smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000002457593 243108738 /nfs/dbraw/zinc/10/87/38/243108738.db2.gz BNOBKJJXFXGLQB-UHFFFAOYSA-N -1 0 358.372 -0.379 20 0 FBADRM O=C([O-])C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000002457759 484223562 /nfs/dbraw/zinc/22/35/62/484223562.db2.gz KFAXDYNFKIKORO-UHFFFAOYSA-N -1 0 356.356 -0.625 20 0 FBADRM O=C(Cn1cnnn1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000002737251 484372391 /nfs/dbraw/zinc/37/23/91/484372391.db2.gz QHFPYOPKIOVUQN-UHFFFAOYSA-N -1 0 360.359 -0.097 20 0 FBADRM Cn1c(COC(=O)c2ccccc2[N-]S(C)(=O)=O)cc(=O)n(C)c1=O ZINC000011290347 661354716 /nfs/dbraw/zinc/35/47/16/661354716.db2.gz ZPCOOSKUBKFKKT-UHFFFAOYSA-N -1 0 367.383 -0.188 20 0 FBADRM Cc1nnc(NNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)[n-]c1=O ZINC000011548279 843231704 /nfs/dbraw/zinc/23/17/04/843231704.db2.gz UQYLALWZFWAUTP-UHFFFAOYSA-N -1 0 364.387 -0.448 20 0 FBADRM COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1NC(C)=O ZINC000013028494 661381593 /nfs/dbraw/zinc/38/15/93/661381593.db2.gz VZRWVWMJUBHQAC-SKDRFNHKSA-N -1 0 358.372 -0.138 20 0 FBADRM COc1ccc(NC(C)=O)cc1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-] ZINC000013028519 484534731 /nfs/dbraw/zinc/53/47/31/484534731.db2.gz PUPZDKYKYOYNOW-QWRGUYRKSA-N -1 0 358.372 -0.138 20 0 FBADRM COc1ccc(NC(C)=O)cc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000013028521 660434468 /nfs/dbraw/zinc/43/44/68/660434468.db2.gz PUPZDKYKYOYNOW-MNOVXSKESA-N -1 0 358.372 -0.138 20 0 FBADRM CN(C)C(=O)CN1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000013089282 662120761 /nfs/dbraw/zinc/12/07/61/662120761.db2.gz IZGLWEQCRZEMSG-UHFFFAOYSA-N -1 0 355.416 -0.221 20 0 FBADRM CN(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000013089288 601913215 /nfs/dbraw/zinc/91/32/15/601913215.db2.gz YPPJRTPWZPPSOP-UHFFFAOYSA-N -1 0 373.406 -0.082 20 0 FBADRM CN(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000013089289 484819950 /nfs/dbraw/zinc/81/99/50/484819950.db2.gz ATQYJKPBXAKKEZ-UHFFFAOYSA-N -1 0 355.416 -0.221 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000013093842 662121073 /nfs/dbraw/zinc/12/10/73/662121073.db2.gz NOXLIDVQUAVDJS-NSHDSACASA-N -1 0 356.356 -0.563 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000013093843 662121227 /nfs/dbraw/zinc/12/12/27/662121227.db2.gz NOXLIDVQUAVDJS-LLVKDONJSA-N -1 0 356.356 -0.563 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000013093848 600766699 /nfs/dbraw/zinc/76/66/99/600766699.db2.gz NCYMEOBJSOAOHX-LBPRGKRZSA-N -1 0 370.383 -0.255 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000013093849 600766582 /nfs/dbraw/zinc/76/65/82/600766582.db2.gz NCYMEOBJSOAOHX-GFCCVEGCSA-N -1 0 370.383 -0.255 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000013093850 601208211 /nfs/dbraw/zinc/20/82/11/601208211.db2.gz GBOOGMZKPWKZAN-NSHDSACASA-N -1 0 374.346 -0.424 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000013093851 601208209 /nfs/dbraw/zinc/20/82/09/601208209.db2.gz GBOOGMZKPWKZAN-LLVKDONJSA-N -1 0 374.346 -0.424 20 0 FBADRM O=C([O-])c1cccc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 ZINC000013184749 484543085 /nfs/dbraw/zinc/54/30/85/484543085.db2.gz WWSNXZCHZPDCCM-UHFFFAOYSA-N -1 0 367.427 -0.030 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000013184774 484543923 /nfs/dbraw/zinc/54/39/23/484543923.db2.gz YZZHKCGTDXIOLW-UHFFFAOYSA-N -1 0 367.427 -0.030 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000013197742 662132390 /nfs/dbraw/zinc/13/23/90/662132390.db2.gz PALMSJVMETVDMP-JTQLQIEISA-N -1 0 372.355 -0.857 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000013197744 662132443 /nfs/dbraw/zinc/13/24/43/662132443.db2.gz PALMSJVMETVDMP-SNVBAGLBSA-N -1 0 372.355 -0.857 20 0 FBADRM CN(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CC1 ZINC000013199710 658650394 /nfs/dbraw/zinc/65/03/94/658650394.db2.gz YEAJHMOHJSZVDV-UHFFFAOYSA-N -1 0 371.415 -0.515 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1 ZINC000013239462 484543495 /nfs/dbraw/zinc/54/34/95/484543495.db2.gz MQBMYVGATSNSIT-LBPRGKRZSA-N -1 0 352.372 -0.257 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H](O)CN2CCOCC2)ccc1F ZINC000013250146 604564084 /nfs/dbraw/zinc/56/40/84/604564084.db2.gz ONMFCCHFKDJIJD-JTQLQIEISA-N -1 0 362.379 -0.505 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H](O)CN2CCOCC2)ccc1F ZINC000013250148 604563745 /nfs/dbraw/zinc/56/37/45/604563745.db2.gz ONMFCCHFKDJIJD-SNVBAGLBSA-N -1 0 362.379 -0.505 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](O)CN1CCOCC1 ZINC000013250166 604657005 /nfs/dbraw/zinc/65/70/05/604657005.db2.gz MCDSQWHEELWEBT-CYBMUJFWSA-N -1 0 358.416 -0.335 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](O)CN1CCOCC1 ZINC000013250168 604656911 /nfs/dbraw/zinc/65/69/11/604656911.db2.gz MCDSQWHEELWEBT-ZDUSSCGKSA-N -1 0 358.416 -0.335 20 0 FBADRM NC(=O)CN1CCC(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000013252699 601211768 /nfs/dbraw/zinc/21/17/68/601211768.db2.gz AVZMZZLETCIFPT-UHFFFAOYSA-N -1 0 359.379 -0.248 20 0 FBADRM CC(=O)N1CCc2cc(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])ccc21 ZINC000013300376 243107072 /nfs/dbraw/zinc/10/70/72/243107072.db2.gz WDIQGLLSHRAABU-FZMZJTMJSA-N -1 0 354.384 -0.196 20 0 FBADRM CC(=O)N1CCc2cc(S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])ccc21 ZINC000013300378 243109844 /nfs/dbraw/zinc/10/98/44/243109844.db2.gz WDIQGLLSHRAABU-RISCZKNCSA-N -1 0 354.384 -0.196 20 0 FBADRM COc1ccc(C(=O)[O-])c(OS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000013307334 601147222 /nfs/dbraw/zinc/14/72/22/601147222.db2.gz JBGXPWFLQCSATQ-UHFFFAOYSA-N -1 0 370.339 -0.442 20 0 FBADRM Cc1ccc(OS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C(=O)[O-])c1 ZINC000013308469 600107074 /nfs/dbraw/zinc/10/70/74/600107074.db2.gz SWEQKPRPICHCEH-UHFFFAOYSA-N -1 0 354.340 -0.142 20 0 FBADRM CN(C)C(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000013311436 601017362 /nfs/dbraw/zinc/01/73/62/601017362.db2.gz IIOADZRPSPBBDP-UHFFFAOYSA-N -1 0 361.445 -0.159 20 0 FBADRM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000014097367 483877385 /nfs/dbraw/zinc/87/73/85/483877385.db2.gz JIECKAXJUYKQNY-UHFFFAOYSA-N -1 0 353.356 -0.109 20 0 FBADRM Cn1cc(S(=O)(=O)NCc2ccccc2C[NH+](C)C)c(=O)n(C)c1=O ZINC000015360903 484359091 /nfs/dbraw/zinc/35/90/91/484359091.db2.gz DBFGTMOGFFAPSH-UHFFFAOYSA-N -1 0 366.443 -0.376 20 0 FBADRM Cn1c2ncn(CCC(=O)N3CCC(C(=O)[O-])CC3)c2c(=O)n(C)c1=O ZINC000020200825 483489857 /nfs/dbraw/zinc/48/98/57/483489857.db2.gz WTLVOACGGVDLSK-UHFFFAOYSA-N -1 0 363.374 -0.853 20 0 FBADRM Cn1c2ncn(CCC(=O)N3CCC[C@@H](C(=O)[O-])C3)c2c(=O)n(C)c1=O ZINC000020200827 483490189 /nfs/dbraw/zinc/49/01/89/483490189.db2.gz NUVXYOWYHXWZEA-SNVBAGLBSA-N -1 0 363.374 -0.853 20 0 FBADRM Cn1c2ncn(CCC(=O)N3CCC[C@H](C(=O)[O-])C3)c2c(=O)n(C)c1=O ZINC000020200829 483490636 /nfs/dbraw/zinc/49/06/36/483490636.db2.gz NUVXYOWYHXWZEA-JTQLQIEISA-N -1 0 363.374 -0.853 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)[N-]NC(=O)c1ccc(-n2cnnn2)cc1 ZINC000024101829 658610051 /nfs/dbraw/zinc/61/00/51/658610051.db2.gz VQQWYIKFCDYXKV-UHFFFAOYSA-N -1 0 363.359 -0.110 20 0 FBADRM CCOC(=O)N[N-]S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000024243402 658889339 /nfs/dbraw/zinc/88/93/39/658889339.db2.gz DYKFWAXOCJKIKM-UHFFFAOYSA-N -1 0 351.406 -0.124 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCCNS(C)(=O)=O ZINC000025097355 484383681 /nfs/dbraw/zinc/38/36/81/484383681.db2.gz VTIYEYIZDZJLTM-UHFFFAOYSA-N -1 0 353.397 -0.524 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCCCNS(C)(=O)=O ZINC000025112177 484384398 /nfs/dbraw/zinc/38/43/98/484384398.db2.gz SCVYECJVOOVFDU-UHFFFAOYSA-N -1 0 367.424 -0.134 20 0 FBADRM COC(=O)CNC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000026768669 484835307 /nfs/dbraw/zinc/83/53/07/484835307.db2.gz GFLLPQZOFJZKAX-UHFFFAOYSA-N -1 0 361.351 -0.648 20 0 FBADRM C[C@@H](C(=O)N[N-]C(=O)c1csc(N2CCOCC2)n1)n1cncn1 ZINC000027583506 658802877 /nfs/dbraw/zinc/80/28/77/658802877.db2.gz AMEALYIHCGRNKV-VIFPVBQESA-N -1 0 351.392 -0.407 20 0 FBADRM C[C@H](C(=O)N[N-]C(=O)c1csc(N2CCOCC2)n1)n1cncn1 ZINC000027583513 660398062 /nfs/dbraw/zinc/39/80/62/660398062.db2.gz AMEALYIHCGRNKV-SECBINFHSA-N -1 0 351.392 -0.407 20 0 FBADRM CC(C)C(=O)N1CCC(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000028053823 483783755 /nfs/dbraw/zinc/78/37/55/483783755.db2.gz QWCWPKSGOBDCSL-UHFFFAOYSA-N -1 0 372.447 -0.991 20 0 FBADRM COCc1ccccc1CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000028055571 483784567 /nfs/dbraw/zinc/78/45/67/483784567.db2.gz RNFJLTMKBPLYBR-UHFFFAOYSA-N -1 0 353.400 -0.291 20 0 FBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000028116407 658902047 /nfs/dbraw/zinc/90/20/47/658902047.db2.gz XJMFIEKZFHQWMA-SECBINFHSA-N -1 0 358.372 -0.107 20 0 FBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000028116415 658901933 /nfs/dbraw/zinc/90/19/33/658901933.db2.gz XJMFIEKZFHQWMA-VIFPVBQESA-N -1 0 358.372 -0.107 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]NC(=O)c2cccc([N+](=O)[O-])c2)cc1C(N)=O ZINC000028195658 658917599 /nfs/dbraw/zinc/91/75/99/658917599.db2.gz JZZODNUMOCTCBS-UHFFFAOYSA-N -1 0 367.343 -0.345 20 0 FBADRM O=C(N[N-]S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CCCC1 ZINC000029048853 660398517 /nfs/dbraw/zinc/39/85/17/660398517.db2.gz JRYBTIIHICVPQM-UHFFFAOYSA-N -1 0 352.372 -0.284 20 0 FBADRM O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[N-]C(=O)c1ccccn1 ZINC000029651969 660398774 /nfs/dbraw/zinc/39/87/74/660398774.db2.gz SBMHIGREWWXROI-UHFFFAOYSA-N -1 0 360.351 -0.313 20 0 FBADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000030563287 484123726 /nfs/dbraw/zinc/12/37/26/484123726.db2.gz PJOOVQZDLDQJGS-UHFFFAOYSA-N -1 0 361.383 -0.496 20 0 FBADRM Cn1ccc(C(=O)N[N-]C(=O)c2csc(N3CCOCC3)n2)cc1=O ZINC000030576066 660121596 /nfs/dbraw/zinc/12/15/96/660121596.db2.gz FHADJCCZXFMTAJ-UHFFFAOYSA-N -1 0 363.399 -0.247 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2ccc3c(c2)OCO3)o1 ZINC000031488342 660019437 /nfs/dbraw/zinc/01/94/37/660019437.db2.gz RTVJQSRRBHLQCK-UHFFFAOYSA-N -1 0 367.339 -0.009 20 0 FBADRM O=C(N[N-]S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccccc1 ZINC000031555865 660132288 /nfs/dbraw/zinc/13/22/88/660132288.db2.gz ZWRIRURHMNGOGQ-UHFFFAOYSA-N -1 0 360.351 -0.160 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cn1C ZINC000031665148 484398753 /nfs/dbraw/zinc/39/87/53/484398753.db2.gz BRMWEGGPKWVHJN-UHFFFAOYSA-N -1 0 372.428 -0.167 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)[N-]NC(=O)c2ccccc2O)cn1C ZINC000031665969 660037288 /nfs/dbraw/zinc/03/72/88/660037288.db2.gz ABQOCPGNFHAOJY-UHFFFAOYSA-N -1 0 352.372 -0.286 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]NC(=O)c2cccn2C)cc1C(N)=O ZINC000032083847 660399491 /nfs/dbraw/zinc/39/94/91/660399491.db2.gz ZJVUEVFENZBODL-UHFFFAOYSA-N -1 0 352.372 -0.244 20 0 FBADRM NS(=O)(=O)c1ccc(=NNS(=O)(=O)c2cccc(C(=O)[O-])c2)[nH]c1 ZINC000032091659 660101840 /nfs/dbraw/zinc/10/18/40/660101840.db2.gz MBAWSXQGALJPEF-UHFFFAOYSA-N -1 0 372.384 -0.267 20 0 FBADRM O=C([N-]NC(=O)[C@H]1CCCO1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000032261674 660145811 /nfs/dbraw/zinc/14/58/11/660145811.db2.gz BOGDGZLNGSMQQP-SNVBAGLBSA-N -1 0 373.387 -0.760 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000032589082 660160191 /nfs/dbraw/zinc/16/01/91/660160191.db2.gz FLWZRIIOAHQSQP-MRVPVSSYSA-N -1 0 366.392 -0.422 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]NC(=O)[C@H]2CCS(=O)(=O)C2)cc1F ZINC000032589083 660160170 /nfs/dbraw/zinc/16/01/70/660160170.db2.gz FLWZRIIOAHQSQP-QMMMGPOBSA-N -1 0 366.392 -0.422 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000032589088 660160188 /nfs/dbraw/zinc/16/01/88/660160188.db2.gz RFCAYAYLGPAOBB-SNVBAGLBSA-N -1 0 362.429 -0.252 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]NC(=O)[C@H]2CCS(=O)(=O)C2)cc1C ZINC000032589089 660160172 /nfs/dbraw/zinc/16/01/72/660160172.db2.gz RFCAYAYLGPAOBB-JTQLQIEISA-N -1 0 362.429 -0.252 20 0 FBADRM CC1(C)C(=O)Nc2ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc21 ZINC000032917913 483566785 /nfs/dbraw/zinc/56/67/85/483566785.db2.gz ZEGWCUQNGXDRAL-UHFFFAOYSA-N -1 0 355.372 -0.605 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000035085400 484572984 /nfs/dbraw/zinc/57/29/84/484572984.db2.gz FDIFWPYFYGCSEW-UHFFFAOYSA-N -1 0 351.178 -0.072 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccccc1Br ZINC000035085412 484573202 /nfs/dbraw/zinc/57/32/02/484573202.db2.gz HXUCFKGEUJULHA-UHFFFAOYSA-N -1 0 351.178 -0.072 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC000035085415 243106527 /nfs/dbraw/zinc/10/65/27/243106527.db2.gz GWAVTXRWAJBPEW-UHFFFAOYSA-N -1 0 357.207 -0.010 20 0 FBADRM CS(=O)(=O)NCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000035207857 660509660 /nfs/dbraw/zinc/50/96/60/660509660.db2.gz LEEZNSUEOAAZBS-UHFFFAOYSA-N -1 0 356.809 -0.134 20 0 FBADRM CS(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000035207858 601834168 /nfs/dbraw/zinc/83/41/68/601834168.db2.gz CSUFRDFDNVPCRP-UHFFFAOYSA-N -1 0 356.809 -0.134 20 0 FBADRM CCOC(=O)c1csc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1 ZINC000036634398 243106957 /nfs/dbraw/zinc/10/69/57/243106957.db2.gz QTLDQZDUPOQLDE-UHFFFAOYSA-N -1 0 374.400 -0.482 20 0 FBADRM CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000037418705 243107167 /nfs/dbraw/zinc/10/71/67/243107167.db2.gz KEKAHPWUKQTLLI-QMMMGPOBSA-N -1 0 357.793 -0.533 20 0 FBADRM CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000037418707 243109747 /nfs/dbraw/zinc/10/97/47/243109747.db2.gz KEKAHPWUKQTLLI-MRVPVSSYSA-N -1 0 357.793 -0.533 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])c1 ZINC000037465434 484593995 /nfs/dbraw/zinc/59/39/95/484593995.db2.gz HLKSQKRXLPEUAE-SECBINFHSA-N -1 0 352.415 -0.518 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])c1 ZINC000037465436 484593745 /nfs/dbraw/zinc/59/37/45/484593745.db2.gz HLKSQKRXLPEUAE-VIFPVBQESA-N -1 0 352.415 -0.518 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000037496281 484592716 /nfs/dbraw/zinc/59/27/16/484592716.db2.gz IFJCGSDXZPDXFI-UHFFFAOYSA-N -1 0 354.431 -0.288 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)c2ccsc2C(=O)[O-])CC1 ZINC000037497391 484593068 /nfs/dbraw/zinc/59/30/68/484593068.db2.gz JHIBWPCAPDKHTI-UHFFFAOYSA-N -1 0 354.431 -0.288 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC000038058954 484596037 /nfs/dbraw/zinc/59/60/37/484596037.db2.gz DUANWIAIGBTKHJ-UHFFFAOYSA-N -1 0 354.431 -0.288 20 0 FBADRM CS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000042280664 660001191 /nfs/dbraw/zinc/00/11/91/660001191.db2.gz HIKIVYKFOFZDJK-UHFFFAOYSA-N -1 0 361.401 -0.929 20 0 FBADRM Cn1cc(/C=C/C([O-])=N/S(=O)(=O)c2cccnc2)c(=O)n(C)c1=O ZINC000042322577 661733329 /nfs/dbraw/zinc/73/33/29/661733329.db2.gz CFAVQWNETYETGC-AATRIKPKSA-N -1 0 350.356 -0.162 20 0 FBADRM CCCCS(=O)(=O)[N-]C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000042343792 661733243 /nfs/dbraw/zinc/73/32/43/661733243.db2.gz YECXSELKIROTEZ-UHFFFAOYSA-N -1 0 371.419 -0.090 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)cc2)cc1C(N)=O ZINC000042345117 661733227 /nfs/dbraw/zinc/73/32/27/661733227.db2.gz ZTCKSTAZIYAEGO-UHFFFAOYSA-N -1 0 350.356 -0.084 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1sccc1Br ZINC000042350515 483619480 /nfs/dbraw/zinc/61/94/80/483619480.db2.gz MZRVKZOSHJPWFN-UHFFFAOYSA-N -1 0 357.207 -0.010 20 0 FBADRM Cn1cccc1C(=O)N[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000042625486 661733234 /nfs/dbraw/zinc/73/32/34/661733234.db2.gz BROPIDUKKHMSKG-UHFFFAOYSA-N -1 0 362.367 -0.126 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000044242922 483629224 /nfs/dbraw/zinc/62/92/24/483629224.db2.gz WNFLTEVYFPFKGN-ZETCQYMHSA-N -1 0 352.166 -0.549 20 0 FBADRM NC(=O)C[C@@H](NS(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000044242924 483629037 /nfs/dbraw/zinc/62/90/37/483629037.db2.gz WNFLTEVYFPFKGN-SSDOTTSWSA-N -1 0 352.166 -0.549 20 0 FBADRM NC(=O)CC[C@H](NS(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000044242942 243111303 /nfs/dbraw/zinc/11/13/03/243111303.db2.gz TYAWFEXEHKJAFF-QMMMGPOBSA-N -1 0 366.193 -0.159 20 0 FBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000044242944 243114203 /nfs/dbraw/zinc/11/42/03/243114203.db2.gz TYAWFEXEHKJAFF-MRVPVSSYSA-N -1 0 366.193 -0.159 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cncc(Br)c1 ZINC000044242991 484621452 /nfs/dbraw/zinc/62/14/52/484621452.db2.gz KDXQQZZKJBEKJG-UHFFFAOYSA-N -1 0 352.166 -0.677 20 0 FBADRM O=C(COC(=O)Cn1cc([N+](=O)[O-])cn1)NNC(=O)c1cccs1 ZINC000044956189 660100688 /nfs/dbraw/zinc/10/06/88/660100688.db2.gz ZFHTZCKJLBUTGZ-UHFFFAOYSA-N -1 0 353.316 -0.143 20 0 FBADRM CS(=O)(=O)NCCNC(=O)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000045589395 660101981 /nfs/dbraw/zinc/10/19/81/660101981.db2.gz GSZKDEVIIIJXQW-UHFFFAOYSA-N -1 0 351.388 -0.272 20 0 FBADRM Cc1csc(C(C#N)=C([O-])COC(=O)Cn2ccc(=O)n(C)c2=O)n1 ZINC000046272724 660105824 /nfs/dbraw/zinc/10/58/24/660105824.db2.gz ZPQVBWDITKOUSR-JTQLQIEISA-N -1 0 362.367 -0.268 20 0 FBADRM Cc1csc(C(C#N)=C([O-])COC(=O)Cn2ccc(=O)n(C)c2=O)n1 ZINC000046272726 660106001 /nfs/dbraw/zinc/10/60/01/660106001.db2.gz ZPQVBWDITKOUSR-SNVBAGLBSA-N -1 0 362.367 -0.268 20 0 FBADRM CN(CC(=O)N[N-]C(=O)c1cc(-c2ccccc2)on1)S(C)(=O)=O ZINC000046325492 660106171 /nfs/dbraw/zinc/10/61/71/660106171.db2.gz MIFUNQLPJJJZCT-UHFFFAOYSA-N -1 0 352.372 -0.006 20 0 FBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCN(c2ncccn2)CC1 ZINC000047403281 483467952 /nfs/dbraw/zinc/46/79/52/483467952.db2.gz DLLMJTHIDYJZRZ-UHFFFAOYSA-N -1 0 353.342 -0.224 20 0 FBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCN(c2cnccn2)CC1 ZINC000047404618 483592410 /nfs/dbraw/zinc/59/24/10/483592410.db2.gz OHBWLGCVIFZJOH-UHFFFAOYSA-N -1 0 353.342 -0.224 20 0 FBADRM CCOC(=O)C(NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)OCC ZINC000047404645 484421424 /nfs/dbraw/zinc/42/14/24/484421424.db2.gz GVYUEYNNJQLHQP-UHFFFAOYSA-N -1 0 364.314 -0.752 20 0 FBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]NC(=O)c1ccccn1 ZINC000047417533 657372708 /nfs/dbraw/zinc/37/27/08/657372708.db2.gz RBAFHTFLQATCJQ-UHFFFAOYSA-N -1 0 353.360 -0.087 20 0 FBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]NC(=O)c1cccn1C ZINC000047418029 661734780 /nfs/dbraw/zinc/73/47/80/661734780.db2.gz QYNBJDWUXOZAEY-UHFFFAOYSA-N -1 0 355.376 -0.143 20 0 FBADRM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 ZINC000047454532 483482824 /nfs/dbraw/zinc/48/28/24/483482824.db2.gz BLZZRVMEUVCSOZ-UHFFFAOYSA-N -1 0 372.428 -0.167 20 0 FBADRM Cc1cc(C)n(CC(=O)N[N-]C(=O)c2ccc(S(=O)(=O)N(C)C)o2)n1 ZINC000047454686 657372841 /nfs/dbraw/zinc/37/28/41/657372841.db2.gz PHWRRYHAQDLTOF-UHFFFAOYSA-N -1 0 369.403 -0.196 20 0 FBADRM C=CCn1c(=O)c2ccc(C(=O)NCCS(N)(=O)=O)cc2[n-]c1=S ZINC000047554559 657373124 /nfs/dbraw/zinc/37/31/24/657373124.db2.gz WFLRGJCKMXROKE-UHFFFAOYSA-N -1 0 368.440 -0.111 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(C(=O)N[N-]C(=O)c2cnsn2)c1 ZINC000047815703 657373578 /nfs/dbraw/zinc/37/35/78/657373578.db2.gz HOZWBGXGAAHNNV-UHFFFAOYSA-N -1 0 355.401 -0.137 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(C(=O)N[N-]C(=O)c2cnns2)c1 ZINC000047816167 661734924 /nfs/dbraw/zinc/73/49/24/661734924.db2.gz DULZJKSARSAPOA-UHFFFAOYSA-N -1 0 355.401 -0.137 20 0 FBADRM Cc1ccc(S(=O)(=O)N(C)CC(=O)N[N-]C(=O)c2cn[nH]n2)cc1 ZINC000047816852 661734990 /nfs/dbraw/zinc/73/49/90/661734990.db2.gz YBOCYWRUPNNMCD-UHFFFAOYSA-N -1 0 352.376 -0.805 20 0 FBADRM Cc1ccc(S(=O)(=O)N(C)CC(=O)N[N-]C(=O)c2cnns2)cc1 ZINC000047816853 661735054 /nfs/dbraw/zinc/73/50/54/661735054.db2.gz QXEDPBUWNATITM-UHFFFAOYSA-N -1 0 369.428 -0.072 20 0 FBADRM Cc1ccc(S(=O)(=O)N(C)CC(=O)N[N-]C(=O)c2cnsn2)cc1 ZINC000047817126 661734980 /nfs/dbraw/zinc/73/49/80/661734980.db2.gz JQAXZFIATPLLQH-UHFFFAOYSA-N -1 0 369.428 -0.072 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)OCC(=O)N1CCNC1=O ZINC000047830634 658947799 /nfs/dbraw/zinc/94/77/99/658947799.db2.gz LEVAIFNHPJDMAK-UHFFFAOYSA-N -1 0 359.335 -0.094 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)OCc1nc(N)nc(N)n1 ZINC000047831094 661735020 /nfs/dbraw/zinc/73/50/20/661735020.db2.gz DLBSYVVSOZNUJH-UHFFFAOYSA-N -1 0 356.339 -0.096 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)OCCN1C(=O)CNC1=O ZINC000047831740 661735075 /nfs/dbraw/zinc/73/50/75/661735075.db2.gz QLTQBKQLTLUYFB-UHFFFAOYSA-N -1 0 359.335 -0.094 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)[N-]NC(=O)[C@H]2COc3ccccc3O2)o1 ZINC000047910588 661735226 /nfs/dbraw/zinc/73/52/26/661735226.db2.gz NUWHEDCQZIPQTN-LLVKDONJSA-N -1 0 367.339 -0.472 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)[N-]NC(=O)[C@@H]2COc3ccccc3O2)o1 ZINC000047910590 661735298 /nfs/dbraw/zinc/73/52/98/661735298.db2.gz NUWHEDCQZIPQTN-NSHDSACASA-N -1 0 367.339 -0.472 20 0 FBADRM CC(C)NC(=O)CN1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000048229632 483697521 /nfs/dbraw/zinc/69/75/21/483697521.db2.gz HHYKXKVABNYFEN-UHFFFAOYSA-N -1 0 374.401 -0.694 20 0 FBADRM Cc1nc(N2CCOCC2)sc1C(=O)N[N-]S(=O)(=O)c1cn[nH]c1 ZINC000048231928 843758959 /nfs/dbraw/zinc/75/89/59/843758959.db2.gz BCWZNCHNIXBPNG-UHFFFAOYSA-N -1 0 372.432 -0.365 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000048292753 483708341 /nfs/dbraw/zinc/70/83/41/483708341.db2.gz RVBPTQPAMFDCTJ-UHFFFAOYSA-N -1 0 361.445 -0.225 20 0 FBADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1=O ZINC000048423519 658972260 /nfs/dbraw/zinc/97/22/60/658972260.db2.gz BIPJAGBEOAYPQD-UHFFFAOYSA-N -1 0 368.327 -0.199 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000048470198 661735754 /nfs/dbraw/zinc/73/57/54/661735754.db2.gz NMPNAOCRXZDZGY-UHFFFAOYSA-N -1 0 364.401 -0.006 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)S(C)(=O)=O ZINC000048478461 661735820 /nfs/dbraw/zinc/73/58/20/661735820.db2.gz GOXJZFLPINBTEQ-UHFFFAOYSA-N -1 0 374.404 -0.801 20 0 FBADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)c1=O ZINC000048506856 658974440 /nfs/dbraw/zinc/97/44/40/658974440.db2.gz TXCVGOIEAQDDGO-UHFFFAOYSA-N -1 0 362.367 -0.095 20 0 FBADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)c1=O ZINC000048509132 661735726 /nfs/dbraw/zinc/73/57/26/661735726.db2.gz JOEGXVHLNGCTJS-UHFFFAOYSA-N -1 0 362.367 -0.095 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)Cn1ccc(=O)n(C)c1=O ZINC000048535129 661735656 /nfs/dbraw/zinc/73/56/56/661735656.db2.gz GPPAXMRBJSBUCR-UHFFFAOYSA-N -1 0 355.376 -0.757 20 0 FBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O ZINC000048538068 661735763 /nfs/dbraw/zinc/73/57/63/661735763.db2.gz MTESBIYOXYJANT-UHFFFAOYSA-N -1 0 369.355 -0.075 20 0 FBADRM CCCCS(=O)(=O)[N-]C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000048552017 661735741 /nfs/dbraw/zinc/73/57/41/661735741.db2.gz ZNVGREUZJQFTDL-UHFFFAOYSA-N -1 0 357.392 -0.480 20 0 FBADRM CCCCS(=O)(=O)[N-]C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000048552640 657375268 /nfs/dbraw/zinc/37/52/68/657375268.db2.gz ZGLLLXKPAUBICT-UHFFFAOYSA-N -1 0 357.392 -0.480 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cccc(C(N)=O)c2)cc1C(N)=O ZINC000048558730 661735696 /nfs/dbraw/zinc/73/56/96/661735696.db2.gz DOALKKBLIRDTLA-UHFFFAOYSA-N -1 0 350.356 -0.084 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)cc1 ZINC000048585018 661735773 /nfs/dbraw/zinc/73/57/73/661735773.db2.gz IOCOTEGMZUBRIS-UHFFFAOYSA-N -1 0 353.356 -0.099 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)ccc1OCC(N)=O ZINC000048676120 661736384 /nfs/dbraw/zinc/73/63/84/661736384.db2.gz YMIXOJANIUXIMC-UHFFFAOYSA-N -1 0 368.371 -0.014 20 0 FBADRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)Cn1ccc(=O)n(C)c1=O ZINC000048677807 661736310 /nfs/dbraw/zinc/73/63/10/661736310.db2.gz PZRRIZWZYDWYLT-UHFFFAOYSA-N -1 0 366.399 -0.960 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]c3cnn(CC(N)=O)c3)cc2n(C)c1=O ZINC000050532067 483892047 /nfs/dbraw/zinc/89/20/47/483892047.db2.gz SQUTZKYOFPSOKR-UHFFFAOYSA-N -1 0 364.387 -0.640 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]c3ccn(CC(N)=O)n3)cc2n(C)c1=O ZINC000050532603 483891861 /nfs/dbraw/zinc/89/18/61/483891861.db2.gz PCEVCOFEODIDNU-UHFFFAOYSA-N -1 0 364.387 -0.640 20 0 FBADRM C[C@H](NC(=O)COC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)N(C)C ZINC000050689060 657392117 /nfs/dbraw/zinc/39/21/17/657392117.db2.gz NMNIIGPZHAQYKL-JTQLQIEISA-N -1 0 371.415 -0.192 20 0 FBADRM C[C@@H](NC(=O)COC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)N(C)C ZINC000050689063 657391953 /nfs/dbraw/zinc/39/19/53/657391953.db2.gz NMNIIGPZHAQYKL-SNVBAGLBSA-N -1 0 371.415 -0.192 20 0 FBADRM CCCNC(=O)[C@@H]1CCCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000050695448 243113905 /nfs/dbraw/zinc/11/39/05/243113905.db2.gz QELURMPJENFZFJ-SNVBAGLBSA-N -1 0 359.386 -0.010 20 0 FBADRM CCCNC(=O)[C@H]1CCCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000050695451 243112553 /nfs/dbraw/zinc/11/25/53/243112553.db2.gz QELURMPJENFZFJ-JTQLQIEISA-N -1 0 359.386 -0.010 20 0 FBADRM O=C(COC(=O)CN1CCS(=O)(=O)CC1)[N-]OCc1ccccc1 ZINC000051193982 657442707 /nfs/dbraw/zinc/44/27/07/657442707.db2.gz OGUKEWUVPLZPCJ-UHFFFAOYSA-N -1 0 356.400 -0.492 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000051446995 483947602 /nfs/dbraw/zinc/94/76/02/483947602.db2.gz PEHAAVGEVBMHGK-UHFFFAOYSA-N -1 0 355.376 -0.917 20 0 FBADRM CS(=O)(=O)[N-]c1cc(F)ccc1C(=O)OCc1nc(N)nc(N)n1 ZINC000051576314 657524409 /nfs/dbraw/zinc/52/44/09/657524409.db2.gz GGIJHIBPDDZKJF-UHFFFAOYSA-N -1 0 356.339 -0.096 20 0 FBADRM CS(=O)(=O)[N-]c1cc(F)ccc1C(=O)OCC(=O)N1CCNC1=O ZINC000051576475 657524345 /nfs/dbraw/zinc/52/43/45/657524345.db2.gz IPVLSORPSXIERX-UHFFFAOYSA-N -1 0 359.335 -0.094 20 0 FBADRM CS(=O)(=O)[N-]c1cc(F)ccc1C(=O)OCCN1C(=O)CNC1=O ZINC000051577850 657524707 /nfs/dbraw/zinc/52/47/07/657524707.db2.gz CFGKVHTVHWVTTG-UHFFFAOYSA-N -1 0 359.335 -0.094 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000052051023 484237587 /nfs/dbraw/zinc/23/75/87/484237587.db2.gz LOMVWILRRCWVTK-UHFFFAOYSA-N -1 0 367.387 -0.869 20 0 FBADRM O=S(=O)(CC[N-]S(=O)(=O)c1c(F)cccc1F)N1CCOCC1 ZINC000052116116 657593671 /nfs/dbraw/zinc/59/36/71/657593671.db2.gz SYMZWJZIKDMLRA-UHFFFAOYSA-N -1 0 370.399 -0.095 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C)CC1 ZINC000052766563 657845090 /nfs/dbraw/zinc/84/50/90/657845090.db2.gz VGQWFGCFBXJWRN-UHFFFAOYSA-N -1 0 363.436 -0.605 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)Cc2c(C)nn(C)c2C)CC1 ZINC000052767263 657845683 /nfs/dbraw/zinc/84/56/83/657845683.db2.gz VTPLJWSIZINAFC-UHFFFAOYSA-N -1 0 372.447 -0.175 20 0 FBADRM Cn1nc(CC(=O)[N-]S(=O)(=O)N2CCCC2)c2ccccc2c1=O ZINC000052772295 657846353 /nfs/dbraw/zinc/84/63/53/657846353.db2.gz WYRQKWJHUOGYRP-UHFFFAOYSA-N -1 0 350.400 -0.067 20 0 FBADRM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)[N-]S(=O)(=O)N1CCCC1 ZINC000052772518 657846814 /nfs/dbraw/zinc/84/68/14/657846814.db2.gz AVTSBUNMXNKUTC-UHFFFAOYSA-N -1 0 352.372 -0.853 20 0 FBADRM Cn1c(=O)c2cc(C(=O)[N-]S(=O)(=O)N3CCCC3)cnc2n(C)c1=O ZINC000052793294 657856446 /nfs/dbraw/zinc/85/64/46/657856446.db2.gz LAIVDWKCVWJDJA-UHFFFAOYSA-N -1 0 367.387 -0.723 20 0 FBADRM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000052794550 657855521 /nfs/dbraw/zinc/85/55/21/657855521.db2.gz GFDHHAQZNHWVQN-UHFFFAOYSA-N -1 0 366.399 -0.463 20 0 FBADRM Cn1cc(/C=C\C([O-])=N\S(=O)(=O)N2CCCCC2)c(=O)n(C)c1=O ZINC000052796051 657857620 /nfs/dbraw/zinc/85/76/20/657857620.db2.gz FRUFEHUTRMRPHV-SREVYHEPSA-N -1 0 356.404 -0.216 20 0 FBADRM Cn1cc(/C=C/C([O-])=N/S(=O)(=O)N2CCCCC2)c(=O)n(C)c1=O ZINC000052796053 657857826 /nfs/dbraw/zinc/85/78/26/657857826.db2.gz FRUFEHUTRMRPHV-VOTSOKGWSA-N -1 0 356.404 -0.216 20 0 FBADRM O=C(Cn1nnc2ccccc2c1=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000052796131 657857755 /nfs/dbraw/zinc/85/77/55/657857755.db2.gz GASCZABSKWBDQG-UHFFFAOYSA-N -1 0 351.388 -0.362 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000052823216 483882733 /nfs/dbraw/zinc/88/27/33/483882733.db2.gz RXDUFRMNJKTREU-SECBINFHSA-N -1 0 367.387 -0.823 20 0 FBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000052823217 483882895 /nfs/dbraw/zinc/88/28/95/483882895.db2.gz RXDUFRMNJKTREU-VIFPVBQESA-N -1 0 367.387 -0.823 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N[N-]C(=O)c2cnsn2)ccc1Cl ZINC000053092454 658204025 /nfs/dbraw/zinc/20/40/25/658204025.db2.gz PVEQZFKZDRNFSQ-UHFFFAOYSA-N -1 0 361.792 -0.086 20 0 FBADRM CCS(=O)(=O)CC(=O)N[N-]C(=O)c1csc(N2CCOCC2)n1 ZINC000053092642 658206374 /nfs/dbraw/zinc/20/63/74/658206374.db2.gz XOHAAWZYQQVPNA-UHFFFAOYSA-N -1 0 362.433 -0.825 20 0 FBADRM CC(=O)N1CCC(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000053657822 843853779 /nfs/dbraw/zinc/85/37/79/843853779.db2.gz AIRUSVRQEIKSCH-UHFFFAOYSA-N -1 0 373.207 -0.574 20 0 FBADRM CN(CCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)Cc1ccccc1 ZINC000053691330 484159662 /nfs/dbraw/zinc/15/96/62/484159662.db2.gz LLJMGUDMZFPUAM-UHFFFAOYSA-N -1 0 366.443 -0.506 20 0 FBADRM COC(=O)CCCNC(=O)N[N-]C(=O)c1csc(N2CCOCC2)n1 ZINC000054040886 658871397 /nfs/dbraw/zinc/87/13/97/658871397.db2.gz ABTHFLGQXUJVBT-UHFFFAOYSA-N -1 0 371.419 -0.123 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2cccc(OC)c2O)o1 ZINC000054144204 657559395 /nfs/dbraw/zinc/55/93/95/657559395.db2.gz NNRMDXFCPCDLCI-UHFFFAOYSA-N -1 0 369.355 -0.023 20 0 FBADRM O=C(CCCn1cncn1)N[N-]C(=O)c1csc(N2CCOCC2)n1 ZINC000054146777 658933360 /nfs/dbraw/zinc/93/33/60/658933360.db2.gz YEXBCMZAMFMUMH-UHFFFAOYSA-N -1 0 365.419 -0.187 20 0 FBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000054486966 659948836 /nfs/dbraw/zinc/94/88/36/659948836.db2.gz AZTATKCSDVFVMT-UHFFFAOYSA-N -1 0 354.348 -0.122 20 0 FBADRM O=C([N-]NC(=S)NCCN1CCOCC1)c1n[nH]c2c1CCCC2 ZINC000055030185 839767861 /nfs/dbraw/zinc/76/78/61/839767861.db2.gz OPBSESYSYJGYHK-UHFFFAOYSA-N -1 0 352.464 -0.270 20 0 FBADRM Cc1c(C(=O)[N-]NC(=O)[C@@H]2CCS(=O)(=O)C2)nnn1-c1ccccc1 ZINC000055050944 660100163 /nfs/dbraw/zinc/10/01/63/660100163.db2.gz DIKWBSNZPJSNSH-LLVKDONJSA-N -1 0 363.399 -0.229 20 0 FBADRM Cc1c(C(=O)[N-]NC(=O)[C@H]2CCS(=O)(=O)C2)nnn1-c1ccccc1 ZINC000055050945 660100046 /nfs/dbraw/zinc/10/00/46/660100046.db2.gz DIKWBSNZPJSNSH-NSHDSACASA-N -1 0 363.399 -0.229 20 0 FBADRM O=C(CCN1CCOC1=O)N[N-]C(=O)c1csc(N2CCOCC2)n1 ZINC000055140089 660100091 /nfs/dbraw/zinc/10/00/91/660100091.db2.gz YAEJQXNKCCXZJQ-UHFFFAOYSA-N -1 0 369.403 -0.417 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCNC(=O)C2)c(Br)o1 ZINC000055312977 602139509 /nfs/dbraw/zinc/13/95/09/602139509.db2.gz KROLLUGPAYSORG-UHFFFAOYSA-N -1 0 353.150 -0.139 20 0 FBADRM Cc1nnc(NNC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)[n-]c1=O ZINC000055398449 843900247 /nfs/dbraw/zinc/90/02/47/843900247.db2.gz WFDPGQTXEYAXBR-LLVKDONJSA-N -1 0 361.284 -0.098 20 0 FBADRM Cc1nnc(NNC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)[n-]c1=O ZINC000055398451 843899762 /nfs/dbraw/zinc/89/97/62/843899762.db2.gz WFDPGQTXEYAXBR-NSHDSACASA-N -1 0 361.284 -0.098 20 0 FBADRM COC(=O)N[N-]S(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 ZINC000055555477 660100650 /nfs/dbraw/zinc/10/06/50/660100650.db2.gz UQOLPTOPEBSHBU-ZDUSSCGKSA-N -1 0 372.359 -0.701 20 0 FBADRM COC(=O)N[N-]S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 ZINC000055555478 660100710 /nfs/dbraw/zinc/10/07/10/660100710.db2.gz UQOLPTOPEBSHBU-CYBMUJFWSA-N -1 0 372.359 -0.701 20 0 FBADRM COc1cc[nH]c(=NNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)n1 ZINC000055585226 660100691 /nfs/dbraw/zinc/10/06/91/660100691.db2.gz XKNXFJIFPIZPRZ-UHFFFAOYSA-N -1 0 372.428 -0.076 20 0 FBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)NN=c1nc(OC)cc[nH]1 ZINC000055585238 660100667 /nfs/dbraw/zinc/10/06/67/660100667.db2.gz XAPQEFCKHJFICD-UHFFFAOYSA-N -1 0 356.364 -0.001 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]NC(=O)c2cccc(S(C)(=O)=O)c2)cn1 ZINC000055587584 843904971 /nfs/dbraw/zinc/90/49/71/843904971.db2.gz RQGJXOQIFJPITR-UHFFFAOYSA-N -1 0 358.401 -0.553 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]NC(=O)[C@H]2CCCO2)cc1 ZINC000055589997 660100695 /nfs/dbraw/zinc/10/06/95/660100695.db2.gz AAJQBCZJAQUGSD-CQSZACIVSA-N -1 0 355.416 -0.146 20 0 FBADRM COc1ccc(CNC(C)=O)cc1S(=O)(=O)[N-]NC(=O)[C@H]1CCCO1 ZINC000055590003 660100679 /nfs/dbraw/zinc/10/06/79/660100679.db2.gz KUXWSAVLXCCXFW-CYBMUJFWSA-N -1 0 371.415 -0.180 20 0 FBADRM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]NC(=O)[C@H]2CCCO2)cc1 ZINC000055590031 660100662 /nfs/dbraw/zinc/10/06/62/660100662.db2.gz WWXYYYZNJZHXIN-GFCCVEGCSA-N -1 0 362.429 -0.031 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]NC(=O)[C@H]2CCCO2)cc1 ZINC000055590130 660100704 /nfs/dbraw/zinc/10/07/04/660100704.db2.gz HFHRTOCMXLIMNP-LLVKDONJSA-N -1 0 363.417 -0.917 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cn1 ZINC000055641111 484427272 /nfs/dbraw/zinc/42/72/72/484427272.db2.gz XKKHNDCMRLQEIQ-UHFFFAOYSA-N -1 0 351.344 -0.136 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)NC)cc2)cn1 ZINC000055641116 484515194 /nfs/dbraw/zinc/51/51/94/484515194.db2.gz ULTDEWXFCYVMCQ-UHFFFAOYSA-N -1 0 351.388 -0.211 20 0 FBADRM Cc1ccc(C(=O)N[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c(O)c1 ZINC000055647601 660100913 /nfs/dbraw/zinc/10/09/13/660100913.db2.gz NIODXXSEDGROJW-UHFFFAOYSA-N -1 0 352.372 -0.239 20 0 FBADRM N#Cc1ccc(OCC(=O)N[N-]C(=O)c2ccc(S(N)(=O)=O)o2)cc1 ZINC000056087746 660101106 /nfs/dbraw/zinc/10/11/06/660101106.db2.gz OPZMWEPKVVFUEH-UHFFFAOYSA-N -1 0 364.339 -0.361 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)[N-]NC(=O)COc2ccc(F)cc2)o1 ZINC000056108082 660101311 /nfs/dbraw/zinc/10/13/11/660101311.db2.gz WAZSDKKWNOQMFC-UHFFFAOYSA-N -1 0 357.319 -0.094 20 0 FBADRM CCNS(=O)(=O)c1ccc(F)c(C(=O)[N-]NC(=O)C(=O)NC(C)C)c1 ZINC000056196501 660101630 /nfs/dbraw/zinc/10/16/30/660101630.db2.gz NJRLUMAQMZKZSU-UHFFFAOYSA-N -1 0 374.394 -0.591 20 0 FBADRM Cc1nc2ccccn2c1C(=O)N[N-]C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000056199905 660101673 /nfs/dbraw/zinc/10/16/73/660101673.db2.gz HYUQWESZVGMHSY-UHFFFAOYSA-N -1 0 363.355 -0.042 20 0 FBADRM CNC(=O)N[N-]C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000056375983 660101602 /nfs/dbraw/zinc/10/16/02/660101602.db2.gz KJZRTDXXUPWNAW-UHFFFAOYSA-N -1 0 360.367 -0.580 20 0 FBADRM NS(=O)(=O)CCNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000056850305 660102166 /nfs/dbraw/zinc/10/21/66/660102166.db2.gz NPQWBPMBVOSALS-UHFFFAOYSA-N -1 0 356.429 -0.146 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)[N-]NC(=O)c2cc3c(s2)CCC3)nn1 ZINC000056971983 660102085 /nfs/dbraw/zinc/10/20/85/660102085.db2.gz MEMRHEIDNGHSKY-UHFFFAOYSA-N -1 0 362.415 -0.009 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(Cc2c([O-])nnn2-c2ccccc2)CC1 ZINC000057086265 660102266 /nfs/dbraw/zinc/10/22/66/660102266.db2.gz DHLMWKPFPBLDDN-UHFFFAOYSA-N -1 0 366.447 -0.103 20 0 FBADRM O=C(NC1CC1)C(=O)N1CCN(Cc2c([O-])nnn2-c2ccccc2)CC1 ZINC000057086989 484424802 /nfs/dbraw/zinc/42/48/02/484424802.db2.gz KTSQQOVAOHMMHS-UHFFFAOYSA-N -1 0 370.413 -0.104 20 0 FBADRM COC(=O)CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cn[nH]c2)c1 ZINC000057118450 484425472 /nfs/dbraw/zinc/42/54/72/484425472.db2.gz WSWVYKWNISMFCR-UHFFFAOYSA-N -1 0 374.400 -0.338 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]NC(=O)NC)cc1 ZINC000057124760 657442651 /nfs/dbraw/zinc/44/26/51/657442651.db2.gz RIJUICRMSMFOEO-UHFFFAOYSA-N -1 0 364.449 -0.161 20 0 FBADRM CNC(=O)N[N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000057124771 658663274 /nfs/dbraw/zinc/66/32/74/658663274.db2.gz BMPOPIIBWLCDGB-UHFFFAOYSA-N -1 0 362.433 -0.407 20 0 FBADRM CCc1ccc(S(=O)(=O)[N-]NC(=O)N[C@@H]2CCS(=O)(=O)C2)s1 ZINC000057124792 660102595 /nfs/dbraw/zinc/10/25/95/660102595.db2.gz YROTZDXHDLKJOK-MRVPVSSYSA-N -1 0 367.474 -0.010 20 0 FBADRM CCc1ccc(S(=O)(=O)[N-]NC(=O)N[C@H]2CCS(=O)(=O)C2)s1 ZINC000057124793 660102508 /nfs/dbraw/zinc/10/25/08/660102508.db2.gz YROTZDXHDLKJOK-QMMMGPOBSA-N -1 0 367.474 -0.010 20 0 FBADRM O=C(N[N-]S(=O)(=O)c1ccc2c(c1)CCC2)N[C@@H]1CCS(=O)(=O)C1 ZINC000057124809 660102581 /nfs/dbraw/zinc/10/25/81/660102581.db2.gz SGGUJDRVJBZGAF-GFCCVEGCSA-N -1 0 373.456 -0.145 20 0 FBADRM O=C(N[N-]S(=O)(=O)c1ccc2c(c1)CCC2)N[C@H]1CCS(=O)(=O)C1 ZINC000057124810 660102587 /nfs/dbraw/zinc/10/25/87/660102587.db2.gz SGGUJDRVJBZGAF-LBPRGKRZSA-N -1 0 373.456 -0.145 20 0 FBADRM Cc1ccc(F)cc1S(=O)(=O)[N-]NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000057124853 660102494 /nfs/dbraw/zinc/10/24/94/660102494.db2.gz IFKUAVBQFRHWTN-SNVBAGLBSA-N -1 0 365.408 -0.186 20 0 FBADRM Cc1ccc(F)cc1S(=O)(=O)[N-]NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000057124854 660102542 /nfs/dbraw/zinc/10/25/42/660102542.db2.gz IFKUAVBQFRHWTN-JTQLQIEISA-N -1 0 365.408 -0.186 20 0 FBADRM CCc1ccc(S(=O)(=O)[N-]NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000057124876 660102566 /nfs/dbraw/zinc/10/25/66/660102566.db2.gz VISHYGMTQUWLMX-LLVKDONJSA-N -1 0 361.445 -0.071 20 0 FBADRM CCc1ccc(S(=O)(=O)[N-]NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000057124877 660102605 /nfs/dbraw/zinc/10/26/05/660102605.db2.gz VISHYGMTQUWLMX-NSHDSACASA-N -1 0 361.445 -0.071 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]NC(=O)N[C@@H]2CCS(=O)(=O)C2)s1 ZINC000057124880 660102613 /nfs/dbraw/zinc/10/26/13/660102613.db2.gz BVSWLDNFNXCRKH-MRVPVSSYSA-N -1 0 353.447 -0.264 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]NC(=O)N[C@H]2CCS(=O)(=O)C2)s1 ZINC000057124881 660102558 /nfs/dbraw/zinc/10/25/58/660102558.db2.gz BVSWLDNFNXCRKH-QMMMGPOBSA-N -1 0 353.447 -0.264 20 0 FBADRM O=C(N[N-]S(=O)(=O)c1cccc(F)c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000057124908 660102483 /nfs/dbraw/zinc/10/24/83/660102483.db2.gz XNJBQDSUOAFKHD-SECBINFHSA-N -1 0 351.381 -0.495 20 0 FBADRM O=C(N[N-]S(=O)(=O)c1cccc(F)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000057124909 660102602 /nfs/dbraw/zinc/10/26/02/660102602.db2.gz XNJBQDSUOAFKHD-VIFPVBQESA-N -1 0 351.381 -0.495 20 0 FBADRM O=C(N[N-]S(=O)(=O)c1ccc(F)cc1F)N[C@@H]1CCS(=O)(=O)C1 ZINC000057124912 658663639 /nfs/dbraw/zinc/66/36/39/658663639.db2.gz DHBDMIPXYQDLQS-MRVPVSSYSA-N -1 0 369.371 -0.356 20 0 FBADRM O=C(N[N-]S(=O)(=O)c1ccc(F)cc1F)N[C@H]1CCS(=O)(=O)C1 ZINC000057124913 658663535 /nfs/dbraw/zinc/66/35/35/658663535.db2.gz DHBDMIPXYQDLQS-QMMMGPOBSA-N -1 0 369.371 -0.356 20 0 FBADRM O=C(N[N-]S(=O)(=O)c1ccc(F)cc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000057124916 658663601 /nfs/dbraw/zinc/66/36/01/658663601.db2.gz UDIFXOJQJGNLEJ-SECBINFHSA-N -1 0 351.381 -0.495 20 0 FBADRM O=C(N[N-]S(=O)(=O)c1ccc(F)cc1)N[C@H]1CCS(=O)(=O)C1 ZINC000057124917 658663383 /nfs/dbraw/zinc/66/33/83/658663383.db2.gz UDIFXOJQJGNLEJ-VIFPVBQESA-N -1 0 351.381 -0.495 20 0 FBADRM O=C(N[N-]S(=O)(=O)c1ccccc1F)N[C@@H]1CCS(=O)(=O)C1 ZINC000057124924 660102547 /nfs/dbraw/zinc/10/25/47/660102547.db2.gz OASJIHXYFSPTPE-MRVPVSSYSA-N -1 0 351.381 -0.495 20 0 FBADRM O=C(N[N-]S(=O)(=O)c1ccccc1F)N[C@H]1CCS(=O)(=O)C1 ZINC000057124925 658663238 /nfs/dbraw/zinc/66/32/38/658663238.db2.gz OASJIHXYFSPTPE-QMMMGPOBSA-N -1 0 351.381 -0.495 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]NC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000057124946 660102599 /nfs/dbraw/zinc/10/25/99/660102599.db2.gz VPOWHLGUQTXVPI-LLVKDONJSA-N -1 0 361.445 -0.017 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]NC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000057124947 660102467 /nfs/dbraw/zinc/10/24/67/660102467.db2.gz VPOWHLGUQTXVPI-NSHDSACASA-N -1 0 361.445 -0.017 20 0 FBADRM O=C(N[N-]S(=O)(=O)c1c(F)cccc1F)N[C@@H]1CCS(=O)(=O)C1 ZINC000057124958 660102590 /nfs/dbraw/zinc/10/25/90/660102590.db2.gz ALFKGDTXDMFGCE-SSDOTTSWSA-N -1 0 369.371 -0.356 20 0 FBADRM O=C(N[N-]S(=O)(=O)c1c(F)cccc1F)N[C@H]1CCS(=O)(=O)C1 ZINC000057124959 660102545 /nfs/dbraw/zinc/10/25/45/660102545.db2.gz ALFKGDTXDMFGCE-ZETCQYMHSA-N -1 0 369.371 -0.356 20 0 FBADRM O=C(N[N-]S(=O)(=O)c1cc(F)ccc1F)N[C@@H]1CCS(=O)(=O)C1 ZINC000057124992 660102555 /nfs/dbraw/zinc/10/25/55/660102555.db2.gz MGVLBEHCGOYDAC-MRVPVSSYSA-N -1 0 369.371 -0.356 20 0 FBADRM O=C(N[N-]S(=O)(=O)c1cc(F)ccc1F)N[C@H]1CCS(=O)(=O)C1 ZINC000057124993 658663510 /nfs/dbraw/zinc/66/35/10/658663510.db2.gz MGVLBEHCGOYDAC-QMMMGPOBSA-N -1 0 369.371 -0.356 20 0 FBADRM Cc1ccc(C)c(S(=O)(=O)[N-]NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000057125004 660102607 /nfs/dbraw/zinc/10/26/07/660102607.db2.gz KRUWPFOCAGKMIP-LLVKDONJSA-N -1 0 361.445 -0.017 20 0 FBADRM Cc1ccc(C)c(S(=O)(=O)[N-]NC(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000057125005 660102573 /nfs/dbraw/zinc/10/25/73/660102573.db2.gz KRUWPFOCAGKMIP-NSHDSACASA-N -1 0 361.445 -0.017 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000057125012 660102500 /nfs/dbraw/zinc/10/25/00/660102500.db2.gz JBZHRGBZMAQLHD-LLVKDONJSA-N -1 0 361.445 -0.017 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C ZINC000057125013 658663461 /nfs/dbraw/zinc/66/34/61/658663461.db2.gz JBZHRGBZMAQLHD-NSHDSACASA-N -1 0 361.445 -0.017 20 0 FBADRM O=C(N[N-]S(=O)(=O)c1cc(F)cc(F)c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000057125014 658663294 /nfs/dbraw/zinc/66/32/94/658663294.db2.gz LEHWIVUCESXWSU-SECBINFHSA-N -1 0 369.371 -0.356 20 0 FBADRM O=C(N[N-]S(=O)(=O)c1cc(F)cc(F)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000057125015 660102536 /nfs/dbraw/zinc/10/25/36/660102536.db2.gz LEHWIVUCESXWSU-VIFPVBQESA-N -1 0 369.371 -0.356 20 0 FBADRM Cc1cc(F)ccc1S(=O)(=O)[N-]NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000057125034 660102550 /nfs/dbraw/zinc/10/25/50/660102550.db2.gz AIBRJLHTVGTFMV-SNVBAGLBSA-N -1 0 365.408 -0.186 20 0 FBADRM Cc1cc(F)ccc1S(=O)(=O)[N-]NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000057125035 660102577 /nfs/dbraw/zinc/10/25/77/660102577.db2.gz AIBRJLHTVGTFMV-JTQLQIEISA-N -1 0 365.408 -0.186 20 0 FBADRM Cc1ccc(F)c(S(=O)(=O)[N-]NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000057125050 660102520 /nfs/dbraw/zinc/10/25/20/660102520.db2.gz SOCSJNLDXOKUIG-SECBINFHSA-N -1 0 365.408 -0.186 20 0 FBADRM Cc1ccc(F)c(S(=O)(=O)[N-]NC(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000057125051 658664370 /nfs/dbraw/zinc/66/43/70/658664370.db2.gz SOCSJNLDXOKUIG-VIFPVBQESA-N -1 0 365.408 -0.186 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000057125056 660102597 /nfs/dbraw/zinc/10/25/97/660102597.db2.gz DZNWGQCPSUMXMR-SECBINFHSA-N -1 0 365.408 -0.186 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1F ZINC000057125057 660102517 /nfs/dbraw/zinc/10/25/17/660102517.db2.gz DZNWGQCPSUMXMR-VIFPVBQESA-N -1 0 365.408 -0.186 20 0 FBADRM O=C(N[N-]S(=O)(=O)c1ccc(F)c(F)c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000057125072 660102570 /nfs/dbraw/zinc/10/25/70/660102570.db2.gz YYKOQEKVBCUJPA-SSDOTTSWSA-N -1 0 369.371 -0.356 20 0 FBADRM O=C(N[N-]S(=O)(=O)c1ccc(F)c(F)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000057125073 660102610 /nfs/dbraw/zinc/10/26/10/660102610.db2.gz YYKOQEKVBCUJPA-ZETCQYMHSA-N -1 0 369.371 -0.356 20 0 FBADRM COc1ccccc1OCC(=O)N[N-]C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000058840171 660106390 /nfs/dbraw/zinc/10/63/90/660106390.db2.gz CVEDNJBPIXRWBJ-UHFFFAOYSA-N -1 0 369.355 -0.224 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(C(=O)N[N-]C(=O)c2cccc[n+]2[O-])c1 ZINC000060759787 660108552 /nfs/dbraw/zinc/10/85/52/660108552.db2.gz ZZHYEFFWLBYAHL-UHFFFAOYSA-N -1 0 364.383 -0.355 20 0 FBADRM NC(=O)[C@H](Cc1ccccc1)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000061624910 484433823 /nfs/dbraw/zinc/43/38/23/484433823.db2.gz FRHQIKICSZFNJR-LBPRGKRZSA-N -1 0 353.338 -0.150 20 0 FBADRM O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1n[nH]c(=O)[n-]1 ZINC000061637425 484057940 /nfs/dbraw/zinc/05/79/40/484057940.db2.gz REQFJFVEJQWBKQ-UHFFFAOYSA-N -1 0 365.415 -0.071 20 0 FBADRM O=C(NCCN1CCCS1(=O)=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000061637462 484434200 /nfs/dbraw/zinc/43/42/00/484434200.db2.gz ZYWOXSCTMAVROI-UHFFFAOYSA-N -1 0 368.440 -0.023 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)[N-]NC(=O)c2ccc(Cl)cc2O)nn1 ZINC000063582380 660111753 /nfs/dbraw/zinc/11/17/53/660111753.db2.gz OFPSLWQVFGSITD-UHFFFAOYSA-N -1 0 366.765 -0.200 20 0 FBADRM CCC[C@@H](NC(N)=O)C(=O)N[N-]C(=O)c1csc(N2CCOCC2)n1 ZINC000063685250 660112055 /nfs/dbraw/zinc/11/20/55/660112055.db2.gz OFLIVPXDIMDQPN-SECBINFHSA-N -1 0 370.435 -0.422 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CN(C)C(=O)OC)CC1 ZINC000064102906 657119022 /nfs/dbraw/zinc/11/90/22/657119022.db2.gz SLSZBGOXUAGTIK-UHFFFAOYSA-N -1 0 351.381 -0.229 20 0 FBADRM CCCCNC(=O)N[N-]S(=O)(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000064477281 660215893 /nfs/dbraw/zinc/21/58/93/660215893.db2.gz KOJUDEHLYBVPNP-UHFFFAOYSA-N -1 0 364.449 -0.113 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]NC(=O)NCC2CC2)c1 ZINC000064477334 660215920 /nfs/dbraw/zinc/21/59/20/660215920.db2.gz VTXTXCUSARTECM-UHFFFAOYSA-N -1 0 362.433 -0.503 20 0 FBADRM CCCNC(=O)N[N-]S(=O)(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000064477363 660215997 /nfs/dbraw/zinc/21/59/97/660215997.db2.gz AIOVYEDATUTDSS-UHFFFAOYSA-N -1 0 350.422 -0.503 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]NC(=O)c2ccoc2)c1 ZINC000064477568 660216009 /nfs/dbraw/zinc/21/60/09/660216009.db2.gz PLQMHIAEOMTOQC-UHFFFAOYSA-N -1 0 359.385 -0.189 20 0 FBADRM COC(=O)N(C)CC(=O)N[N-]C(=O)c1csc(N2CCOCC2)n1 ZINC000064739077 660216955 /nfs/dbraw/zinc/21/69/55/660216955.db2.gz LYRLNYFOYKAVIB-UHFFFAOYSA-N -1 0 357.392 -0.561 20 0 FBADRM CCNC(=O)N[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000064940170 657381509 /nfs/dbraw/zinc/38/15/09/657381509.db2.gz ZFBQGXYADXYNOG-UHFFFAOYSA-N -1 0 359.360 -0.228 20 0 FBADRM COCCCNC(=O)N[N-]S(=O)(=O)c1ccc(CCNC(C)=O)cc1 ZINC000064940733 657392858 /nfs/dbraw/zinc/39/28/58/657392858.db2.gz DBBPOJQMWOLITJ-UHFFFAOYSA-N -1 0 372.447 -0.106 20 0 FBADRM COC(=O)Cn1cc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cn1 ZINC000065832600 484704071 /nfs/dbraw/zinc/70/40/71/484704071.db2.gz JIZZDXLZHZPWKU-UHFFFAOYSA-N -1 0 363.359 -0.167 20 0 FBADRM O=C(NCc1ccco1)N[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000065832749 658198324 /nfs/dbraw/zinc/19/83/24/658198324.db2.gz LUZFXIFGNMULDU-UHFFFAOYSA-N -1 0 363.359 -0.052 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]NC(=O)NC2CCCC2)c1 ZINC000065832995 658198184 /nfs/dbraw/zinc/19/81/84/658198184.db2.gz PLDXDYPJTCENOA-UHFFFAOYSA-N -1 0 362.433 -0.231 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]NC(=O)NC2CCCC2)cc1 ZINC000065833046 658198292 /nfs/dbraw/zinc/19/82/92/658198292.db2.gz CULLLEATVYGAAI-UHFFFAOYSA-N -1 0 362.433 -0.231 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000066050692 484715770 /nfs/dbraw/zinc/71/57/70/484715770.db2.gz ZHTMHPDEVOLPCG-UHFFFAOYSA-N -1 0 363.386 -0.023 20 0 FBADRM COC(=O)CN(CC(=O)OC)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000067274858 484452401 /nfs/dbraw/zinc/45/24/01/484452401.db2.gz ADIVWHMWHIUVAH-UHFFFAOYSA-N -1 0 364.358 -0.643 20 0 FBADRM COc1ccccc1C(=O)N[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000067437695 659005658 /nfs/dbraw/zinc/00/56/58/659005658.db2.gz GKHNHQFEZQHOBF-UHFFFAOYSA-N -1 0 352.372 -0.244 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)[N-]NC(=O)c2cc(Cl)ccc2O)nn1 ZINC000067571676 659946674 /nfs/dbraw/zinc/94/66/74/659946674.db2.gz DDCFOHWLGKWJGP-UHFFFAOYSA-N -1 0 366.765 -0.200 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]c3cnn(CCO)c3)cc2C1=O ZINC000067659972 484765685 /nfs/dbraw/zinc/76/56/85/484765685.db2.gz CFSSXHLGXIBKSS-UHFFFAOYSA-N -1 0 350.356 -0.098 20 0 FBADRM COC(=O)Cn1ccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)n1 ZINC000067890873 484773423 /nfs/dbraw/zinc/77/34/23/484773423.db2.gz SIODYMJAUUPBLP-UHFFFAOYSA-N -1 0 363.359 -0.167 20 0 FBADRM COC(=O)Cn1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)n1 ZINC000067890909 483822182 /nfs/dbraw/zinc/82/21/82/483822182.db2.gz SUKNBSCQYJIWGW-UHFFFAOYSA-N -1 0 374.400 -0.496 20 0 FBADRM COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000067899362 484773752 /nfs/dbraw/zinc/77/37/52/484773752.db2.gz UFHZWTIYJHIANU-UHFFFAOYSA-N -1 0 374.400 -0.496 20 0 FBADRM Cc1nc(C(=O)[N-]NC(=O)[C@@H]2CCS(=O)(=O)C2)nn1-c1ccccc1 ZINC000068076460 657160827 /nfs/dbraw/zinc/16/08/27/657160827.db2.gz NZSNWPZYAUPMDZ-LLVKDONJSA-N -1 0 363.399 -0.229 20 0 FBADRM Cc1nc(C(=O)[N-]NC(=O)[C@H]2CCS(=O)(=O)C2)nn1-c1ccccc1 ZINC000068076462 657161083 /nfs/dbraw/zinc/16/10/83/657161083.db2.gz NZSNWPZYAUPMDZ-NSHDSACASA-N -1 0 363.399 -0.229 20 0 FBADRM O=C(CCN1CCCC1=O)N[N-]C(=O)c1csc(N2CCOCC2)n1 ZINC000068094134 660220559 /nfs/dbraw/zinc/22/05/59/660220559.db2.gz KNCOSDFEYHIEBS-UHFFFAOYSA-N -1 0 367.431 -0.247 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cn1 ZINC000068175688 484459207 /nfs/dbraw/zinc/45/92/07/484459207.db2.gz HYIWZSWCESGDGY-UHFFFAOYSA-N -1 0 362.375 -0.594 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cn1 ZINC000068216199 484458787 /nfs/dbraw/zinc/45/87/87/484458787.db2.gz LEHHJVRJAPOUQL-UHFFFAOYSA-N -1 0 363.355 -0.687 20 0 FBADRM COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)n1 ZINC000068216474 484460287 /nfs/dbraw/zinc/46/02/87/484460287.db2.gz NRKZNDATHRWCNX-UHFFFAOYSA-N -1 0 364.339 -0.260 20 0 FBADRM COc1ccc([N-]S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)cn1 ZINC000068321638 484459651 /nfs/dbraw/zinc/45/96/51/484459651.db2.gz MXAIGQKOBZGNFC-UHFFFAOYSA-N -1 0 363.355 -0.174 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCCCOCC3CC3)cnc21 ZINC000068461191 484461672 /nfs/dbraw/zinc/46/16/72/484461672.db2.gz ZOBWMSAJGIQYRD-UHFFFAOYSA-N -1 0 368.415 -0.283 20 0 FBADRM O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)N1CCNC(=O)CC1 ZINC000068465496 484461099 /nfs/dbraw/zinc/46/10/99/484461099.db2.gz KYXKNOUEWLLITQ-UHFFFAOYSA-N -1 0 361.370 -0.018 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000068471930 657406801 /nfs/dbraw/zinc/40/68/01/657406801.db2.gz CZJNHUOZOULCDE-UHFFFAOYSA-N -1 0 355.420 -0.763 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000068472186 660222186 /nfs/dbraw/zinc/22/21/86/660222186.db2.gz VQUGCVUBLCFCRJ-UHFFFAOYSA-N -1 0 367.424 -0.134 20 0 FBADRM O=C(CNCC(F)(F)F)N[N-]C(=O)c1csc(N2CCOCC2)n1 ZINC000068511162 660222897 /nfs/dbraw/zinc/22/28/97/660222897.db2.gz SIHYEMUSIVJVBX-UHFFFAOYSA-N -1 0 367.353 -0.107 20 0 FBADRM CC(C)(CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)NS(C)(=O)=O ZINC000068521163 484783477 /nfs/dbraw/zinc/78/34/77/484783477.db2.gz CFHRERJILWBXLH-UHFFFAOYSA-N -1 0 355.376 -0.919 20 0 FBADRM C[C@@H](C(=O)N1CCOCC1)N1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC000068848370 484601607 /nfs/dbraw/zinc/60/16/07/484601607.db2.gz VKWOBRLYWLPPOR-AWEZNQCLSA-N -1 0 374.445 -0.613 20 0 FBADRM C[C@H](C(=O)N1CCOCC1)N1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC000068848372 484601214 /nfs/dbraw/zinc/60/12/14/484601214.db2.gz VKWOBRLYWLPPOR-CQSZACIVSA-N -1 0 374.445 -0.613 20 0 FBADRM COc1cccc(S(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)c1 ZINC000069366073 657408215 /nfs/dbraw/zinc/40/82/15/657408215.db2.gz PXIATVDSFJAAGI-UHFFFAOYSA-N -1 0 353.356 -0.099 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)c2csc(C(=O)[O-])c2)CC1 ZINC000070160735 483579296 /nfs/dbraw/zinc/57/92/96/483579296.db2.gz YYZHPEJYRMCFDC-UHFFFAOYSA-N -1 0 354.431 -0.288 20 0 FBADRM CC[C@H](C)[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)[O-] ZINC000075283864 484761696 /nfs/dbraw/zinc/76/16/96/484761696.db2.gz UPZKWSQIBNCCNY-CPCISQLKSA-N -1 0 355.372 -0.006 20 0 FBADRM O=C(CNC(=O)c1n[nH]c(=O)[n-]1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000076967316 484668969 /nfs/dbraw/zinc/66/89/69/484668969.db2.gz FRLMKNAVBPEQPM-UHFFFAOYSA-N -1 0 364.793 -0.170 20 0 FBADRM CC1CCC(NC(=O)CN2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)CC1 ZINC000077444290 484683336 /nfs/dbraw/zinc/68/33/36/484683336.db2.gz JJEUFCVBGPPSDZ-UHFFFAOYSA-N -1 0 350.423 -0.037 20 0 FBADRM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)C1 ZINC000080212398 484776334 /nfs/dbraw/zinc/77/63/34/484776334.db2.gz FJHMALSISFDJNC-TXEJJXNPSA-N -1 0 350.423 -0.227 20 0 FBADRM C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)C1 ZINC000080212404 484776619 /nfs/dbraw/zinc/77/66/19/484776619.db2.gz FJHMALSISFDJNC-RYUDHWBXSA-N -1 0 350.423 -0.227 20 0 FBADRM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)C1 ZINC000080212409 484776035 /nfs/dbraw/zinc/77/60/35/484776035.db2.gz FJHMALSISFDJNC-VXGBXAGGSA-N -1 0 350.423 -0.227 20 0 FBADRM O=C(CN1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1)N1CCc2ccccc21 ZINC000080355082 483916125 /nfs/dbraw/zinc/91/61/25/483916125.db2.gz XOLTULDSXMDILZ-UHFFFAOYSA-N -1 0 356.386 -0.143 20 0 FBADRM O=C([O-])c1ccc(Br)c(S(=O)(=O)NC(CO)CO)c1 ZINC000087751174 844053617 /nfs/dbraw/zinc/05/36/17/844053617.db2.gz GBEKESKIINZSGG-UHFFFAOYSA-N -1 0 354.178 -0.221 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000089512371 661794508 /nfs/dbraw/zinc/79/45/08/661794508.db2.gz AHHBILFSACKVGY-UHFFFAOYSA-N -1 0 350.360 -0.508 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000089781074 661794653 /nfs/dbraw/zinc/79/46/53/661794653.db2.gz MVFBFTWDZXOGAG-UHFFFAOYSA-N -1 0 355.416 -0.170 20 0 FBADRM CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c1 ZINC000090263010 657111471 /nfs/dbraw/zinc/11/14/71/657111471.db2.gz KVDSMIFMWOMOJG-MRVPVSSYSA-N -1 0 357.793 -0.533 20 0 FBADRM O=C([O-])c1ccc(Br)c(S(=O)(=O)NC[C@@H](O)CO)c1 ZINC000090283445 844144314 /nfs/dbraw/zinc/14/43/14/844144314.db2.gz JJCBXTWRPBYWHE-SSDOTTSWSA-N -1 0 354.178 -0.221 20 0 FBADRM CS(=O)(=O)[C@@H]1CSCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000090923049 657411307 /nfs/dbraw/zinc/41/13/07/657411307.db2.gz NIPPGQOWIZVRDF-SECBINFHSA-N -1 0 354.431 -0.179 20 0 FBADRM CS(=O)(=O)[C@H]1CSCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000090923050 661808128 /nfs/dbraw/zinc/80/81/28/661808128.db2.gz NIPPGQOWIZVRDF-VIFPVBQESA-N -1 0 354.431 -0.179 20 0 FBADRM O=C([O-])C[C@H]1CSCCN1S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000091129795 600722339 /nfs/dbraw/zinc/72/23/39/600722339.db2.gz CIBJAZAROJJKDR-VIFPVBQESA-N -1 0 357.475 -0.215 20 0 FBADRM O=C([O-])C[C@@H]1CSCCN1S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000091129796 600722364 /nfs/dbraw/zinc/72/23/64/600722364.db2.gz CIBJAZAROJJKDR-SECBINFHSA-N -1 0 357.475 -0.215 20 0 FBADRM O=c1[n-]c(CN2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n[nH]1 ZINC000091537213 484039938 /nfs/dbraw/zinc/03/99/38/484039938.db2.gz PTKWBUASAXJBJN-UHFFFAOYSA-N -1 0 359.358 -0.117 20 0 FBADRM O=c1[n-]c(CN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)n[nH]1 ZINC000091537503 484038508 /nfs/dbraw/zinc/03/85/08/484038508.db2.gz UURXHJSIKBTADE-UHFFFAOYSA-N -1 0 359.358 -0.117 20 0 FBADRM CN(C1CCCCC1)S(=O)(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000091537628 484038575 /nfs/dbraw/zinc/03/85/75/484038575.db2.gz QVTVHKQMRASZHL-UHFFFAOYSA-N -1 0 358.468 -0.275 20 0 FBADRM CNS(=O)(=O)c1ccccc1N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000091554870 484039804 /nfs/dbraw/zinc/03/98/04/484039804.db2.gz DAHQSLDXDQWVHE-UHFFFAOYSA-N -1 0 352.420 -0.672 20 0 FBADRM CCCCn1c(N)c(N(Cc2n[nH]c(=O)[n-]2)CC(C)C)c(=O)[nH]c1=O ZINC000091597392 484039262 /nfs/dbraw/zinc/03/92/62/484039262.db2.gz PLACDAFOFCJWSX-UHFFFAOYSA-N -1 0 351.411 -0.007 20 0 FBADRM O=c1[n-]c(CN2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)n[nH]1 ZINC000091598868 484038967 /nfs/dbraw/zinc/03/89/67/484038967.db2.gz LTQGEHZLVSJMHP-UHFFFAOYSA-N -1 0 363.403 -0.519 20 0 FBADRM COc1ccc(C(=O)NCCN2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cc1 ZINC000091619477 484038559 /nfs/dbraw/zinc/03/85/59/484038559.db2.gz VQHMMILCCZPZBE-UHFFFAOYSA-N -1 0 360.418 -0.346 20 0 FBADRM O=C([O-])CN(CC(F)(F)F)S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000092436375 836085046 /nfs/dbraw/zinc/08/50/46/836085046.db2.gz AILWTONCUZEEEI-UHFFFAOYSA-N -1 0 353.340 -0.158 20 0 FBADRM CC(C)CN(Cc1n[nH]c(=O)[n-]1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000092642906 243131050 /nfs/dbraw/zinc/13/10/50/243131050.db2.gz HFHFVJNDRGFZTR-UHFFFAOYSA-N -1 0 351.411 -0.151 20 0 FBADRM O=C([N-]NC(=O)c1cnn2cc(Br)cnc12)c1cn[nH]n1 ZINC000094122704 661818811 /nfs/dbraw/zinc/81/88/11/661818811.db2.gz MOTBTWYQUHJJPV-UHFFFAOYSA-N -1 0 351.124 -0.315 20 0 FBADRM Cn1cc(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)c(=O)n(C)c1=O ZINC000096746895 600248574 /nfs/dbraw/zinc/24/85/74/600248574.db2.gz FLOSZRYUGUMEFP-UHFFFAOYSA-N -1 0 360.326 -0.849 20 0 FBADRM Cn1cc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c(=O)n(C)c1=O ZINC000096747008 600248375 /nfs/dbraw/zinc/24/83/75/600248375.db2.gz UQGLXLGVFUTWIX-CQSZACIVSA-N -1 0 370.365 -0.009 20 0 FBADRM CN(C(=O)CN1CCN(C(=O)c2nc(=O)[nH][n-]2)CC1)C1CCCCC1 ZINC000103203611 484582120 /nfs/dbraw/zinc/58/21/20/484582120.db2.gz JCPBOPPJZQOZIO-UHFFFAOYSA-N -1 0 350.423 -0.353 20 0 FBADRM CNC(=O)Cn1cc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cn1 ZINC000104857192 536308204 /nfs/dbraw/zinc/30/82/04/536308204.db2.gz RUZRCCQCXNYMJA-UHFFFAOYSA-N -1 0 357.374 -0.237 20 0 FBADRM O=C(NCCNC(=O)c1ccccc1F)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000108662636 485198787 /nfs/dbraw/zinc/19/87/87/485198787.db2.gz NOBOKUHMQZDGOQ-UHFFFAOYSA-N -1 0 371.328 -0.090 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)Cn2ccccc2=O)CC1 ZINC000108750251 660424896 /nfs/dbraw/zinc/42/48/96/660424896.db2.gz CMIBSXAAHOZIKK-UHFFFAOYSA-N -1 0 357.388 -0.906 20 0 FBADRM C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)c3nc(=O)[nH][n-]3)CC2)C1 ZINC000108901325 485205680 /nfs/dbraw/zinc/20/56/80/485205680.db2.gz YZBBAVIVOZXFBO-NEPJUHHUSA-N -1 0 350.423 -0.449 20 0 FBADRM C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)c3nc(=O)[nH][n-]3)CC2)C1 ZINC000108901328 485205591 /nfs/dbraw/zinc/20/55/91/485205591.db2.gz YZBBAVIVOZXFBO-RYUDHWBXSA-N -1 0 350.423 -0.449 20 0 FBADRM C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)c3nc(=O)[nH][n-]3)CC2)C1 ZINC000108901330 485205647 /nfs/dbraw/zinc/20/56/47/485205647.db2.gz YZBBAVIVOZXFBO-VXGBXAGGSA-N -1 0 350.423 -0.449 20 0 FBADRM O=C(NCCN1CCN(C(=O)c2nc(=O)[nH][n-]2)CC1)c1ccccc1F ZINC000108901545 484543338 /nfs/dbraw/zinc/54/33/38/484543338.db2.gz ISSFIBRHAIVFBT-UHFFFAOYSA-N -1 0 362.365 -0.575 20 0 FBADRM O=C(CN1CCN(C(=O)c2nc(=O)[nH][n-]2)CC1)N1CCCc2ccccc21 ZINC000109022614 484440181 /nfs/dbraw/zinc/44/01/81/484440181.db2.gz VPNJIBISPSNWTR-UHFFFAOYSA-N -1 0 370.413 -0.165 20 0 FBADRM O=C(CCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)Nc1cccnc1 ZINC000110133731 484030468 /nfs/dbraw/zinc/03/04/68/484030468.db2.gz JWGSDUQQGDNWHH-UHFFFAOYSA-N -1 0 354.326 -0.235 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000111241069 243149064 /nfs/dbraw/zinc/14/90/64/243149064.db2.gz TXIIEELGXUNXOG-MRVPVSSYSA-N -1 0 353.340 -0.300 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000111241071 243152383 /nfs/dbraw/zinc/15/23/83/243152383.db2.gz TXIIEELGXUNXOG-QMMMGPOBSA-N -1 0 353.340 -0.300 20 0 FBADRM O=C([O-])C1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000111457946 243157725 /nfs/dbraw/zinc/15/77/25/243157725.db2.gz ULILAEXMKUTMKJ-UHFFFAOYSA-N -1 0 360.164 -0.378 20 0 FBADRM O=C(c1nc(=O)[nH][n-]1)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000112728487 483894487 /nfs/dbraw/zinc/89/44/87/483894487.db2.gz TUZAKOKPNFAVKE-ZDUSSCGKSA-N -1 0 356.386 -0.339 20 0 FBADRM O=C(c1nc(=O)[nH][n-]1)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000112728488 483894407 /nfs/dbraw/zinc/89/44/07/483894407.db2.gz TUZAKOKPNFAVKE-CYBMUJFWSA-N -1 0 356.386 -0.339 20 0 FBADRM CCn1c2ccccc2n(CC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1=O ZINC000116205890 484178369 /nfs/dbraw/zinc/17/83/69/484178369.db2.gz MKKSQUDKNYKOHJ-UHFFFAOYSA-N -1 0 364.387 -0.017 20 0 FBADRM C[C@H]1Oc2ccccc2N(CC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)C1=O ZINC000116206023 484178682 /nfs/dbraw/zinc/17/86/82/484178682.db2.gz CXPQBASYCBBZFG-MRVPVSSYSA-N -1 0 365.371 -0.039 20 0 FBADRM C[C@@H]1Oc2ccccc2N(CC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)C1=O ZINC000116206026 484178909 /nfs/dbraw/zinc/17/89/09/484178909.db2.gz CXPQBASYCBBZFG-QMMMGPOBSA-N -1 0 365.371 -0.039 20 0 FBADRM CCOc1ccc(C(=O)NCC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1 ZINC000116206082 484178141 /nfs/dbraw/zinc/17/81/41/484178141.db2.gz LIEBEMOFVKHRFL-UHFFFAOYSA-N -1 0 367.387 -0.025 20 0 FBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccn(CCC(N)=O)n1 ZINC000117706279 243160562 /nfs/dbraw/zinc/16/05/62/243160562.db2.gz FGJOXKPOOFHJRL-UHFFFAOYSA-N -1 0 357.374 -0.107 20 0 FBADRM Cn1ccnc1-c1cc(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)n[nH]1 ZINC000119879948 243162825 /nfs/dbraw/zinc/16/28/25/243162825.db2.gz ISNLCCJXDMPADV-UHFFFAOYSA-N -1 0 352.314 -0.013 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N(C)Cc2cnn(C)c2)cn1C ZINC000122090704 483579239 /nfs/dbraw/zinc/57/92/39/483579239.db2.gz BLIINZHXTGNNIT-UHFFFAOYSA-N -1 0 354.436 -0.211 20 0 FBADRM C[C@@H](CN(C)C(=O)CCn1[nH]c(=O)c2ccccc2c1=O)c1nnn[n-]1 ZINC000124543736 243168059 /nfs/dbraw/zinc/16/80/59/243168059.db2.gz JIAZEQKWLRLIES-JTQLQIEISA-N -1 0 357.374 -0.145 20 0 FBADRM C[C@H](CN(C)C(=O)CCn1[nH]c(=O)c2ccccc2c1=O)c1nnn[n-]1 ZINC000124543974 243168897 /nfs/dbraw/zinc/16/88/97/243168897.db2.gz JIAZEQKWLRLIES-SNVBAGLBSA-N -1 0 357.374 -0.145 20 0 FBADRM Cc1cc(CN2CCN(C(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)CC2)on1 ZINC000127010046 484551914 /nfs/dbraw/zinc/55/19/14/484551914.db2.gz AGRNFVJWJLQKON-UHFFFAOYSA-N -1 0 370.369 -0.134 20 0 FBADRM O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000129695613 484199705 /nfs/dbraw/zinc/19/97/05/484199705.db2.gz UKYIRKDQQMVDHB-MRVPVSSYSA-N -1 0 357.292 -0.022 20 0 FBADRM O=C(CCCNC(=O)c1nc(=O)[nH][n-]1)N1CCN(c2ccccc2)CC1 ZINC000131185433 484881243 /nfs/dbraw/zinc/88/12/43/484881243.db2.gz BWPBEMUHLCZHKD-UHFFFAOYSA-N -1 0 358.402 -0.043 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC000134685374 483513839 /nfs/dbraw/zinc/51/38/39/483513839.db2.gz VDLFDNKLYKNALY-UHFFFAOYSA-N -1 0 355.419 -0.893 20 0 FBADRM CC(C)(CNS(=O)(=O)c1scnc1C(=O)[O-])NS(C)(=O)=O ZINC000134711893 484588812 /nfs/dbraw/zinc/58/88/12/484588812.db2.gz TUQWAMIRFIQVRL-UHFFFAOYSA-N -1 0 357.435 -0.553 20 0 FBADRM CS(=O)(=O)[C@@H]1CSCCN1S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134721940 661590237 /nfs/dbraw/zinc/59/02/37/661590237.db2.gz UTQOIZVLWJEOEG-ZCFIWIBFSA-N -1 0 372.471 -0.051 20 0 FBADRM CS(=O)(=O)[C@H]1CSCCN1S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134721962 661590193 /nfs/dbraw/zinc/59/01/93/661590193.db2.gz UTQOIZVLWJEOEG-LURJTMIESA-N -1 0 372.471 -0.051 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@H]1CCCS1(=O)=O ZINC000134726355 843794374 /nfs/dbraw/zinc/79/43/74/843794374.db2.gz XCDOIFYJWYTVIS-ZETCQYMHSA-N -1 0 354.431 -0.215 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@H]1CCCS1(=O)=O ZINC000134726378 843794561 /nfs/dbraw/zinc/79/45/61/843794561.db2.gz XCDOIFYJWYTVIS-SSDOTTSWSA-N -1 0 354.431 -0.215 20 0 FBADRM NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CCn2cccn2)cc1 ZINC000141154108 837779684 /nfs/dbraw/zinc/77/96/84/837779684.db2.gz VHKXBHBNUZVKJC-UHFFFAOYSA-N -1 0 351.388 -0.053 20 0 FBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000141163690 837778957 /nfs/dbraw/zinc/77/89/57/837778957.db2.gz DMOCRRQHGPSECG-UHFFFAOYSA-N -1 0 372.403 -0.204 20 0 FBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000143226519 604702934 /nfs/dbraw/zinc/70/29/34/604702934.db2.gz WVEUDUNEEDRGOC-UHFFFAOYSA-N -1 0 363.413 -0.310 20 0 FBADRM N#Cc1cccc(S(=O)(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)c1 ZINC000144343629 601807843 /nfs/dbraw/zinc/80/78/43/601807843.db2.gz KJXVSLYBXPAHCG-UHFFFAOYSA-N -1 0 358.397 -0.131 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)[N-]NC(=O)[C@H]2CCCO2)ccc1F ZINC000145913607 657185716 /nfs/dbraw/zinc/18/57/16/657185716.db2.gz VKSZRMAOOXBFIH-SNVBAGLBSA-N -1 0 366.392 -0.282 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cnn(C)c2C2CC2)cc1C(N)=O ZINC000146840822 658560273 /nfs/dbraw/zinc/56/02/73/658560273.db2.gz HPIVXTLAQLITJR-UHFFFAOYSA-N -1 0 351.388 -0.146 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cc(C(N)=O)cs2)cc1C(N)=O ZINC000147422394 842172439 /nfs/dbraw/zinc/17/24/39/842172439.db2.gz MVBKXBCWDJNLKT-UHFFFAOYSA-N -1 0 356.385 -0.597 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCN1CCCS1(=O)=O ZINC000147850312 484107856 /nfs/dbraw/zinc/10/78/56/484107856.db2.gz DZEDQXBCOHFFMD-UHFFFAOYSA-N -1 0 361.445 -0.177 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)C2)cn1 ZINC000151550201 243186184 /nfs/dbraw/zinc/18/61/84/243186184.db2.gz DHCGTBHERDWRDT-NSHDSACASA-N -1 0 369.385 -0.256 20 0 FBADRM Cn1cc(N2CCC[C@@H](NC(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)C2)cn1 ZINC000151550285 243187898 /nfs/dbraw/zinc/18/78/98/243187898.db2.gz DHCGTBHERDWRDT-LLVKDONJSA-N -1 0 369.385 -0.256 20 0 FBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H]1CCCS1(=O)=O ZINC000153276406 483665607 /nfs/dbraw/zinc/66/56/07/483665607.db2.gz NBVFISSMFUMECC-NSHDSACASA-N -1 0 352.416 -0.125 20 0 FBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@H]1CCCS1(=O)=O ZINC000153276519 483665531 /nfs/dbraw/zinc/66/55/31/483665531.db2.gz NBVFISSMFUMECC-LLVKDONJSA-N -1 0 352.416 -0.125 20 0 FBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1=O ZINC000153862023 660179688 /nfs/dbraw/zinc/17/96/88/660179688.db2.gz YZEVKTLLICZGIB-UHFFFAOYSA-N -1 0 350.400 -0.034 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCN(c3cnn(C)c3)CC2)co1 ZINC000154617505 243192923 /nfs/dbraw/zinc/19/29/23/243192923.db2.gz FTPMYUPSQHOSPJ-UHFFFAOYSA-N -1 0 353.404 -0.116 20 0 FBADRM O=C(CNC(=O)c1nc(=O)[nH][n-]1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000156130038 485259675 /nfs/dbraw/zinc/25/96/75/485259675.db2.gz SZCCGMPMHTWEKR-UHFFFAOYSA-N -1 0 364.793 -0.170 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC000164539938 601214373 /nfs/dbraw/zinc/21/43/73/601214373.db2.gz VURDNUCZUMYNEL-STQMWFEESA-N -1 0 356.400 -0.290 20 0 FBADRM CC(C)C[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000169327654 484395406 /nfs/dbraw/zinc/39/54/06/484395406.db2.gz NQRTXYZBKNXBPQ-VIFPVBQESA-N -1 0 351.363 -0.951 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000169796717 601605190 /nfs/dbraw/zinc/60/51/90/601605190.db2.gz CXVVIIXGHABHEL-JTQLQIEISA-N -1 0 374.371 -0.774 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000169796718 601604993 /nfs/dbraw/zinc/60/49/93/601604993.db2.gz CXVVIIXGHABHEL-SNVBAGLBSA-N -1 0 374.371 -0.774 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CCO1 ZINC000169796879 599941823 /nfs/dbraw/zinc/94/18/23/599941823.db2.gz JVQBGVMEFCHJJY-NSHDSACASA-N -1 0 374.371 -0.774 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CCO1 ZINC000169796880 599941702 /nfs/dbraw/zinc/94/17/02/599941702.db2.gz JVQBGVMEFCHJJY-LLVKDONJSA-N -1 0 374.371 -0.774 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000170306790 243205910 /nfs/dbraw/zinc/20/59/10/243205910.db2.gz HCOZRIXVEFHVMV-WDEREUQCSA-N -1 0 357.388 -0.012 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000170306792 243204315 /nfs/dbraw/zinc/20/43/15/243204315.db2.gz HCOZRIXVEFHVMV-QWRGUYRKSA-N -1 0 357.388 -0.012 20 0 FBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000170306925 243203073 /nfs/dbraw/zinc/20/30/73/243203073.db2.gz NYFKOUXYTDOUDX-WDEREUQCSA-N -1 0 356.404 -0.277 20 0 FBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000170306927 243204958 /nfs/dbraw/zinc/20/49/58/243204958.db2.gz NYFKOUXYTDOUDX-QWRGUYRKSA-N -1 0 356.404 -0.277 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000170307815 243204507 /nfs/dbraw/zinc/20/45/07/243204507.db2.gz CUVGTSTZDPMDSZ-NSHDSACASA-N -1 0 369.399 -0.144 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000170307816 243205010 /nfs/dbraw/zinc/20/50/10/243205010.db2.gz CUVGTSTZDPMDSZ-LLVKDONJSA-N -1 0 369.399 -0.144 20 0 FBADRM Cc1nn(C)c(C)c1C[C@@H](C)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000173474736 243211473 /nfs/dbraw/zinc/21/14/73/243211473.db2.gz HTOPFIWAJVNAGG-SECBINFHSA-N -1 0 369.447 -0.656 20 0 FBADRM Cc1nn(C)c(C)c1C[C@H](C)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000173474748 243213829 /nfs/dbraw/zinc/21/38/29/243213829.db2.gz HTOPFIWAJVNAGG-VIFPVBQESA-N -1 0 369.447 -0.656 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2n2cccn2)c(=O)n(C)c1=O ZINC000173538960 243213764 /nfs/dbraw/zinc/21/37/64/243213764.db2.gz WTYIHBJQIGTNPD-VXGBXAGGSA-N -1 0 367.431 -0.257 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2n2cccn2)c(=O)n(C)c1=O ZINC000173538975 243210699 /nfs/dbraw/zinc/21/06/99/243210699.db2.gz WTYIHBJQIGTNPD-NWDGAFQWSA-N -1 0 367.431 -0.257 20 0 FBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000174452615 243216269 /nfs/dbraw/zinc/21/62/69/243216269.db2.gz JGEIDFSGQIAJKB-UHFFFAOYSA-N -1 0 372.429 -0.807 20 0 FBADRM O=C(Cn1[n-]c(=O)ccc1=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000174993615 243219303 /nfs/dbraw/zinc/21/93/03/243219303.db2.gz JYYHGRREDFYYOH-UHFFFAOYSA-N -1 0 374.401 -0.469 20 0 FBADRM O=C(Cn1[n-]c(=O)ccc1=O)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000175008435 243221046 /nfs/dbraw/zinc/22/10/46/243221046.db2.gz FQSUCFBSKCXOCQ-UHFFFAOYSA-N -1 0 352.354 -0.163 20 0 FBADRM O=C(NCCn1c(=O)[nH]c2ccccc21)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000175473717 484284263 /nfs/dbraw/zinc/28/42/63/484284263.db2.gz WFTVGOIJGJFHJV-UHFFFAOYSA-N -1 0 366.337 -0.316 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NC[C@@H]3CN4CCN3CC4)cc2[n-]c1=S ZINC000178970332 243230587 /nfs/dbraw/zinc/23/05/87/243230587.db2.gz NBMHHKNDBLTJIC-GFCCVEGCSA-N -1 0 359.455 -0.048 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NC[C@H]3CN4CCN3CC4)cc2[n-]c1=S ZINC000178970338 243232157 /nfs/dbraw/zinc/23/21/57/243232157.db2.gz NBMHHKNDBLTJIC-LBPRGKRZSA-N -1 0 359.455 -0.048 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178975662 243230984 /nfs/dbraw/zinc/23/09/84/243230984.db2.gz XGWLKIHZVYJAKY-GFCCVEGCSA-N -1 0 356.423 -0.073 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178975672 243229866 /nfs/dbraw/zinc/22/98/66/243229866.db2.gz XGWLKIHZVYJAKY-LBPRGKRZSA-N -1 0 356.423 -0.073 20 0 FBADRM Cn1cnn(CC(=O)N[N-]C(=O)c2ccc(Br)s2)c1=O ZINC000179949694 660221610 /nfs/dbraw/zinc/22/16/10/660221610.db2.gz UDZMXQSLYYTPDH-UHFFFAOYSA-N -1 0 360.193 -0.133 20 0 FBADRM Cn1c2ccc(F)cc2nc1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000182724124 484269850 /nfs/dbraw/zinc/26/98/50/484269850.db2.gz OXVSNOHFJKSJCI-UHFFFAOYSA-N -1 0 367.362 -0.089 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2n[nH]c3cccc(F)c32)c(=O)n(C)c1=O ZINC000182724628 484270532 /nfs/dbraw/zinc/27/05/32/484270532.db2.gz MMDIXRBNTOJEIG-UHFFFAOYSA-N -1 0 353.335 -0.100 20 0 FBADRM O=C(CO)N[N-]C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000182743958 660243797 /nfs/dbraw/zinc/24/37/97/660243797.db2.gz MMSKAIIZSVTEAI-UHFFFAOYSA-N -1 0 365.083 -0.047 20 0 FBADRM O=C(CO)N[N-]C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000182768374 660244254 /nfs/dbraw/zinc/24/42/54/660244254.db2.gz BKHPWSDHJKMHFZ-UHFFFAOYSA-N -1 0 365.083 -0.047 20 0 FBADRM CNC(=O)CN1CCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)CC1 ZINC000183647705 660286367 /nfs/dbraw/zinc/28/63/67/660286367.db2.gz NBZYIOWSVOTEFY-NSHDSACASA-N -1 0 352.357 -0.420 20 0 FBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)c2ccc(-n3cccc3)cc2)c1=O ZINC000183978631 660297037 /nfs/dbraw/zinc/29/70/37/660297037.db2.gz GNFYDXZURJPZKG-UHFFFAOYSA-N -1 0 361.383 -0.122 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)CCn3cccn3)cc2n(C)c1=O ZINC000186078406 660356480 /nfs/dbraw/zinc/35/64/80/660356480.db2.gz YEFIOSBXVGNDBN-UHFFFAOYSA-N -1 0 363.399 -0.031 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)[N-]OCc1ccc(F)cc1)c(=O)n2C ZINC000186457261 243241626 /nfs/dbraw/zinc/24/16/26/243241626.db2.gz QODQKWOGPYWUGN-UHFFFAOYSA-N -1 0 361.333 -0.179 20 0 FBADRM Cn1c2ncn(CC(=O)[N-]OCc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000186479307 243242456 /nfs/dbraw/zinc/24/24/56/243242456.db2.gz KEPCELQUHMCXTG-UHFFFAOYSA-N -1 0 361.333 -0.179 20 0 FBADRM CCCCn1c2nc(Cn3nc(SC)[n-]c3=O)n(C)c2c(=O)[nH]c1=O ZINC000188152371 483465772 /nfs/dbraw/zinc/46/57/72/483465772.db2.gz PQSZFEMUPKVWPG-UHFFFAOYSA-N -1 0 365.419 -0.122 20 0 FBADRM O=C(CCn1nc2ccccn2c1=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000188782541 484927008 /nfs/dbraw/zinc/92/70/08/484927008.db2.gz XZILIOFZWFIIAR-UHFFFAOYSA-N -1 0 366.341 -0.206 20 0 FBADRM CCCNC(=O)CN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000189702729 484018826 /nfs/dbraw/zinc/01/88/26/484018826.db2.gz VUDPPELIQMPDAV-UHFFFAOYSA-N -1 0 360.402 -0.037 20 0 FBADRM Cc1cc(N2CCN(C(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)CC2)n[nH]1 ZINC000189781078 243253607 /nfs/dbraw/zinc/25/36/07/243253607.db2.gz LUIDPNVBSKOLPL-UHFFFAOYSA-N -1 0 355.358 -0.395 20 0 FBADRM CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000192011996 484265688 /nfs/dbraw/zinc/26/56/88/484265688.db2.gz UWSVIEHHUBMXSY-SNVBAGLBSA-N -1 0 360.402 -0.085 20 0 FBADRM CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000192012002 484266467 /nfs/dbraw/zinc/26/64/67/484266467.db2.gz UWSVIEHHUBMXSY-JTQLQIEISA-N -1 0 360.402 -0.085 20 0 FBADRM Cn1cc(Br)cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000192033903 243257919 /nfs/dbraw/zinc/25/79/19/243257919.db2.gz RISYMBLUHKMJLO-UHFFFAOYSA-N -1 0 352.210 -0.017 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c(=O)n(C)c1=O ZINC000193210053 484290668 /nfs/dbraw/zinc/29/06/68/484290668.db2.gz CKDAQMPMOVBANW-ZDUSSCGKSA-N -1 0 372.491 -0.127 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c(=O)n(C)c1=O ZINC000193210071 484290218 /nfs/dbraw/zinc/29/02/18/484290218.db2.gz CKDAQMPMOVBANW-CYBMUJFWSA-N -1 0 372.491 -0.127 20 0 FBADRM Cc1cc(CN2CCN(C(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)CC2)no1 ZINC000193805184 484324093 /nfs/dbraw/zinc/32/40/93/484324093.db2.gz JVPAIHHJKHRAFI-UHFFFAOYSA-N -1 0 370.369 -0.134 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000194110647 661786439 /nfs/dbraw/zinc/78/64/39/661786439.db2.gz NJGKMPAKZQTDJJ-LBPRGKRZSA-N -1 0 366.384 -0.030 20 0 FBADRM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)[C@@H]1COCCN1CC(F)F ZINC000194305355 243262018 /nfs/dbraw/zinc/26/20/18/243262018.db2.gz BRERYXQIXZUCST-NSHDSACASA-N -1 0 354.317 -0.140 20 0 FBADRM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)[C@H]1COCCN1CC(F)F ZINC000194305369 243259729 /nfs/dbraw/zinc/25/97/29/243259729.db2.gz BRERYXQIXZUCST-LLVKDONJSA-N -1 0 354.317 -0.140 20 0 FBADRM O=C(CN1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1)N1CCCC1 ZINC000195057359 484417596 /nfs/dbraw/zinc/41/75/96/484417596.db2.gz SJQOJAIRRLXYHK-UHFFFAOYSA-N -1 0 358.386 -0.377 20 0 FBADRM CCN(CC)C(=O)CN1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000195065754 484418152 /nfs/dbraw/zinc/41/81/52/484418152.db2.gz UIXUSMPXDNLOLH-UHFFFAOYSA-N -1 0 360.402 -0.131 20 0 FBADRM C[C@@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000195068957 484417929 /nfs/dbraw/zinc/41/79/29/484417929.db2.gz QBHWLWUVFSZCBH-VIFPVBQESA-N -1 0 358.386 -0.332 20 0 FBADRM C[C@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000195068969 484417849 /nfs/dbraw/zinc/41/78/49/484417849.db2.gz QBHWLWUVFSZCBH-SECBINFHSA-N -1 0 358.386 -0.332 20 0 FBADRM O=S(=O)([N-]CC(F)(F)F)NCCN1CCN(c2ncccn2)CC1 ZINC000195113298 484419765 /nfs/dbraw/zinc/41/97/65/484419765.db2.gz NXRNWAPMSTXACR-UHFFFAOYSA-N -1 0 368.385 -0.415 20 0 FBADRM Cn1ccc(N2CCC[C@H](NS(=O)(=O)[N-]CC(F)(F)F)C2=O)n1 ZINC000195311368 243261357 /nfs/dbraw/zinc/26/13/57/243261357.db2.gz KRKYDPFRJRKOBL-QMMMGPOBSA-N -1 0 355.342 -0.098 20 0 FBADRM Cn1ccc(N2CCC[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)C2=O)n1 ZINC000195311377 243260239 /nfs/dbraw/zinc/26/02/39/243260239.db2.gz KRKYDPFRJRKOBL-MRVPVSSYSA-N -1 0 355.342 -0.098 20 0 FBADRM Cc1cc(N2CC[C@H](NS(=O)(=O)[N-]CC(F)(F)F)C2=O)n(C)n1 ZINC000195314410 243261436 /nfs/dbraw/zinc/26/14/36/243261436.db2.gz FPZQWXHDVXSNAN-QMMMGPOBSA-N -1 0 355.342 -0.180 20 0 FBADRM Cc1cc(N2CC[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)C2=O)n(C)n1 ZINC000195314417 243259918 /nfs/dbraw/zinc/25/99/18/243259918.db2.gz FPZQWXHDVXSNAN-MRVPVSSYSA-N -1 0 355.342 -0.180 20 0 FBADRM NC(=O)CC[C@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)C(=O)[O-] ZINC000196209743 661791223 /nfs/dbraw/zinc/79/12/23/661791223.db2.gz PSSQUJPBCZEKKM-JTQLQIEISA-N -1 0 354.340 -0.210 20 0 FBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)C(=O)[O-] ZINC000196209748 661791281 /nfs/dbraw/zinc/79/12/81/661791281.db2.gz PSSQUJPBCZEKKM-SNVBAGLBSA-N -1 0 354.340 -0.210 20 0 FBADRM CS(=O)(=O)NCCNS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000218560103 484290115 /nfs/dbraw/zinc/29/01/15/484290115.db2.gz DLGFDSQEECOWQY-UHFFFAOYSA-N -1 0 356.809 -0.134 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000223264769 483885846 /nfs/dbraw/zinc/88/58/46/483885846.db2.gz XLUJDFNYFRIIQO-AWEZNQCLSA-N -1 0 360.370 -0.468 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000223264816 483885663 /nfs/dbraw/zinc/88/56/63/483885663.db2.gz XLUJDFNYFRIIQO-CQSZACIVSA-N -1 0 360.370 -0.468 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC000225920730 660105698 /nfs/dbraw/zinc/10/56/98/660105698.db2.gz QXTINDMZJKNTLE-UHFFFAOYSA-N -1 0 373.387 -0.967 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000229150406 243259382 /nfs/dbraw/zinc/25/93/82/243259382.db2.gz HCOZRIXVEFHVMV-MNOVXSKESA-N -1 0 357.388 -0.012 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000229150419 243260439 /nfs/dbraw/zinc/26/04/39/243260439.db2.gz HCOZRIXVEFHVMV-GHMZBOCLSA-N -1 0 357.388 -0.012 20 0 FBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000229150728 243259204 /nfs/dbraw/zinc/25/92/04/243259204.db2.gz NYFKOUXYTDOUDX-MNOVXSKESA-N -1 0 356.404 -0.277 20 0 FBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000229150739 243262435 /nfs/dbraw/zinc/26/24/35/243262435.db2.gz NYFKOUXYTDOUDX-GHMZBOCLSA-N -1 0 356.404 -0.277 20 0 FBADRM Cc1ncc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])s1 ZINC000230109175 243260894 /nfs/dbraw/zinc/26/08/94/243260894.db2.gz GCCZDFKXXVWPPY-QMMMGPOBSA-N -1 0 354.431 -0.286 20 0 FBADRM Cc1ncc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])s1 ZINC000230109177 243261212 /nfs/dbraw/zinc/26/12/12/243261212.db2.gz GCCZDFKXXVWPPY-MRVPVSSYSA-N -1 0 354.431 -0.286 20 0 FBADRM NC(=O)COCCNS(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000230956385 605073687 /nfs/dbraw/zinc/07/36/87/605073687.db2.gz WZEHUZSOEHCUJJ-UHFFFAOYSA-N -1 0 371.165 -0.480 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC000230989585 660111172 /nfs/dbraw/zinc/11/11/72/660111172.db2.gz DWNIAXDPKWOKIA-UHFFFAOYSA-N -1 0 356.447 -0.028 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCS(=O)(=O)N(C)C ZINC000230990514 484350976 /nfs/dbraw/zinc/35/09/76/484350976.db2.gz SNTRUMFPNTUORL-UHFFFAOYSA-N -1 0 357.435 -0.901 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCCNS(C)(=O)=O ZINC000231514422 484352846 /nfs/dbraw/zinc/35/28/46/484352846.db2.gz NITKNVZWUWLDET-UHFFFAOYSA-N -1 0 357.435 -0.853 20 0 FBADRM CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NCC(=O)[O-])cc1 ZINC000261618394 535633532 /nfs/dbraw/zinc/63/35/32/535633532.db2.gz BOTGKXWMLBGXQM-UHFFFAOYSA-N -1 0 351.402 -0.137 20 0 FBADRM O=C([O-])[C@@H]1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000261627059 243279447 /nfs/dbraw/zinc/27/94/47/243279447.db2.gz DCFHGFNZNPYCJH-LLVKDONJSA-N -1 0 362.429 -0.299 20 0 FBADRM O=C([O-])[C@H]1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000261627063 243281194 /nfs/dbraw/zinc/28/11/94/243281194.db2.gz DCFHGFNZNPYCJH-NSHDSACASA-N -1 0 362.429 -0.299 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000261635713 536311652 /nfs/dbraw/zinc/31/16/52/536311652.db2.gz FMKROPCGMKFCNP-UHFFFAOYSA-N -1 0 350.418 -0.299 20 0 FBADRM CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000261641919 243281426 /nfs/dbraw/zinc/28/14/26/243281426.db2.gz IJHVMXKWUCCBRL-UHFFFAOYSA-N -1 0 371.415 -0.352 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c(=O)n(C)c1=O ZINC000261645224 243279678 /nfs/dbraw/zinc/27/96/78/243279678.db2.gz IYOAPGZBGXLVHE-NSHDSACASA-N -1 0 367.383 -0.942 20 0 FBADRM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000261646269 243280868 /nfs/dbraw/zinc/28/08/68/243280868.db2.gz GZLXHLNJUQQONK-JTQLQIEISA-N -1 0 350.418 -0.300 20 0 FBADRM C[C@H](C(=O)[O-])N(C)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000261646271 243281598 /nfs/dbraw/zinc/28/15/98/243281598.db2.gz GZLXHLNJUQQONK-SNVBAGLBSA-N -1 0 350.418 -0.300 20 0 FBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000261648001 243280413 /nfs/dbraw/zinc/28/04/13/243280413.db2.gz HGTSAJJJGRKMJC-GFCCVEGCSA-N -1 0 362.429 -0.156 20 0 FBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000261648002 243279539 /nfs/dbraw/zinc/27/95/39/243279539.db2.gz HGTSAJJJGRKMJC-LBPRGKRZSA-N -1 0 362.429 -0.156 20 0 FBADRM Cn1cc(S(=O)(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000261652285 243280940 /nfs/dbraw/zinc/28/09/40/243280940.db2.gz JSUGTPSFTRGMOY-AXFHLTTASA-N -1 0 371.415 -0.510 20 0 FBADRM Cn1cc(S(=O)(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c(=O)n(C)c1=O ZINC000261652288 243281696 /nfs/dbraw/zinc/28/16/96/243281696.db2.gz JSUGTPSFTRGMOY-DCAQKATOSA-N -1 0 371.415 -0.510 20 0 FBADRM Cn1cc(S(=O)(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000261652290 243281751 /nfs/dbraw/zinc/28/17/51/243281751.db2.gz JSUGTPSFTRGMOY-MXWKQRLJSA-N -1 0 371.415 -0.510 20 0 FBADRM Cn1cc(S(=O)(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c(=O)n(C)c1=O ZINC000261652292 243281045 /nfs/dbraw/zinc/28/10/45/243281045.db2.gz JSUGTPSFTRGMOY-VWYCJHECSA-N -1 0 371.415 -0.510 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@@H](C(=O)[O-])C3)cnc21 ZINC000261682327 243280012 /nfs/dbraw/zinc/28/00/12/243280012.db2.gz LYXKJLTWCGHGOB-SSDOTTSWSA-N -1 0 354.344 -0.871 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@H](C(=O)[O-])C3)cnc21 ZINC000261682329 243281676 /nfs/dbraw/zinc/28/16/76/243281676.db2.gz LYXKJLTWCGHGOB-ZETCQYMHSA-N -1 0 354.344 -0.871 20 0 FBADRM O=C([O-])CCCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000261692774 243282688 /nfs/dbraw/zinc/28/26/88/243282688.db2.gz NEFKCWONYHOQKT-UHFFFAOYSA-N -1 0 350.418 -0.251 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000261694843 243283260 /nfs/dbraw/zinc/28/32/60/243283260.db2.gz NMWRLYNIMUOVCU-GFCCVEGCSA-N -1 0 364.445 -0.459 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000261694845 243282930 /nfs/dbraw/zinc/28/29/30/243282930.db2.gz NMWRLYNIMUOVCU-LBPRGKRZSA-N -1 0 364.445 -0.459 20 0 FBADRM CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000261703190 243284490 /nfs/dbraw/zinc/28/44/90/243284490.db2.gz UIBLMLOIZBDFTA-LLVKDONJSA-N -1 0 371.415 -0.095 20 0 FBADRM CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000261703193 243283391 /nfs/dbraw/zinc/28/33/91/243283391.db2.gz UIBLMLOIZBDFTA-NSHDSACASA-N -1 0 371.415 -0.095 20 0 FBADRM C[C@H](NC(=O)c1cccc(C(=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000261707782 243284603 /nfs/dbraw/zinc/28/46/03/243284603.db2.gz DGRSYXXOBMNMLP-JTQLQIEISA-N -1 0 354.384 -0.240 20 0 FBADRM C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000261707788 243283718 /nfs/dbraw/zinc/28/37/18/243283718.db2.gz DGRSYXXOBMNMLP-SNVBAGLBSA-N -1 0 354.384 -0.240 20 0 FBADRM CC(C)[C@@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000261727830 243282510 /nfs/dbraw/zinc/28/25/10/243282510.db2.gz RXQTWJRAJGEAPE-GFCCVEGCSA-N -1 0 364.445 -0.007 20 0 FBADRM CC(C)[C@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000261727832 535124320 /nfs/dbraw/zinc/12/43/20/535124320.db2.gz RXQTWJRAJGEAPE-LBPRGKRZSA-N -1 0 364.445 -0.007 20 0 FBADRM O=C([O-])c1cccc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 ZINC000261729296 243283957 /nfs/dbraw/zinc/28/39/57/243283957.db2.gz GZKOSSNQZVLFAC-UHFFFAOYSA-N -1 0 373.365 -0.182 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000261738068 243284015 /nfs/dbraw/zinc/28/40/15/243284015.db2.gz GKLZXSXAEBRUKF-JTQLQIEISA-N -1 0 354.384 -0.072 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000261738072 243282442 /nfs/dbraw/zinc/28/24/42/243282442.db2.gz GKLZXSXAEBRUKF-SNVBAGLBSA-N -1 0 354.384 -0.072 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000261738908 243282898 /nfs/dbraw/zinc/28/28/98/243282898.db2.gz UJPFQKIOHXBAAM-UHFFFAOYSA-N -1 0 350.418 -0.257 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000261747243 535958659 /nfs/dbraw/zinc/95/86/59/535958659.db2.gz NBGXCIHXMPBLDZ-ONGXEEELSA-N -1 0 365.390 -0.561 20 0 FBADRM CC[C@H](C)[C@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000261748588 535981252 /nfs/dbraw/zinc/98/12/52/535981252.db2.gz VZQOIKRQHQOFKG-XVKPBYJWSA-N -1 0 370.387 -0.188 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)cc1C ZINC000261759140 243283269 /nfs/dbraw/zinc/28/32/69/243283269.db2.gz XMHADAHKTQKQOJ-JTQLQIEISA-N -1 0 362.429 -0.002 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)cc1C ZINC000261759142 243284066 /nfs/dbraw/zinc/28/40/66/243284066.db2.gz XMHADAHKTQKQOJ-SNVBAGLBSA-N -1 0 362.429 -0.002 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000261759196 243284213 /nfs/dbraw/zinc/28/42/13/243284213.db2.gz XNRAYLRIGILZIW-LLVKDONJSA-N -1 0 350.418 -0.329 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000261759197 243284233 /nfs/dbraw/zinc/28/42/33/243284233.db2.gz XNRAYLRIGILZIW-NSHDSACASA-N -1 0 350.418 -0.329 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000261764231 243284480 /nfs/dbraw/zinc/28/44/80/243284480.db2.gz OFFNYMZTTWMYCQ-BXKDBHETSA-N -1 0 362.429 -0.064 20 0 FBADRM CC(C)C[C@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000261770243 535322760 /nfs/dbraw/zinc/32/27/60/535322760.db2.gz ZBUXGUBCYFEFLU-JTQLQIEISA-N -1 0 370.387 -0.188 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC000261771581 243287501 /nfs/dbraw/zinc/28/75/01/243287501.db2.gz PHEXAIUUYQASOU-GUTXKFCHSA-N -1 0 355.435 -0.217 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC000261771582 535968480 /nfs/dbraw/zinc/96/84/80/535968480.db2.gz PHEXAIUUYQASOU-YDHLFZDLSA-N -1 0 355.435 -0.217 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])cnc21 ZINC000261775450 243287490 /nfs/dbraw/zinc/28/74/90/243287490.db2.gz ZUCOBHZZTPRCDV-SECBINFHSA-N -1 0 354.344 -0.728 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])cnc21 ZINC000261775451 243287234 /nfs/dbraw/zinc/28/72/34/243287234.db2.gz ZUCOBHZZTPRCDV-VIFPVBQESA-N -1 0 354.344 -0.728 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000261793529 243287608 /nfs/dbraw/zinc/28/76/08/243287608.db2.gz KMQXLQROOWPALC-GXSJLCMTSA-N -1 0 358.420 -0.363 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000261793533 243286207 /nfs/dbraw/zinc/28/62/07/243286207.db2.gz KMQXLQROOWPALC-KOLCDFICSA-N -1 0 358.420 -0.363 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000261793536 243286721 /nfs/dbraw/zinc/28/67/21/243286721.db2.gz KMQXLQROOWPALC-MWLCHTKSSA-N -1 0 358.420 -0.363 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000261793539 243287561 /nfs/dbraw/zinc/28/75/61/243287561.db2.gz KMQXLQROOWPALC-ONGXEEELSA-N -1 0 358.420 -0.363 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-])cc1 ZINC000261821781 243285521 /nfs/dbraw/zinc/28/55/21/243285521.db2.gz ARWHTUIOIJEABY-SECBINFHSA-N -1 0 350.418 -0.064 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C[C@H](C)C(=O)[O-])cc1 ZINC000261821784 243285873 /nfs/dbraw/zinc/28/58/73/243285873.db2.gz ARWHTUIOIJEABY-VIFPVBQESA-N -1 0 350.418 -0.064 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)[O-] ZINC000261833009 535962931 /nfs/dbraw/zinc/96/29/31/535962931.db2.gz RIIKUFUYDCTGQM-WPRPVWTQSA-N -1 0 351.363 -0.951 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000261833489 535963046 /nfs/dbraw/zinc/96/30/46/535963046.db2.gz VPSJXBQWQZOPMH-WPRPVWTQSA-N -1 0 351.363 -0.951 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000261836442 535968152 /nfs/dbraw/zinc/96/81/52/535968152.db2.gz VWBOKZNINZIXCM-KQXIARHKSA-N -1 0 360.432 -0.363 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000261836445 243285259 /nfs/dbraw/zinc/28/52/59/243285259.db2.gz VWBOKZNINZIXCM-NOHGZBONSA-N -1 0 360.432 -0.363 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000261836447 243287413 /nfs/dbraw/zinc/28/74/13/243287413.db2.gz VWBOKZNINZIXCM-WGBDABJCSA-N -1 0 360.432 -0.363 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000261836450 535968061 /nfs/dbraw/zinc/96/80/61/535968061.db2.gz VWBOKZNINZIXCM-ZPFDUUQYSA-N -1 0 360.432 -0.363 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)C(=O)[O-] ZINC000261859196 535970030 /nfs/dbraw/zinc/97/00/30/535970030.db2.gz YDNSVDFKUHSLTO-CPCISQLKSA-N -1 0 361.376 -0.728 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOCC2)o1 ZINC000261859978 243285357 /nfs/dbraw/zinc/28/53/57/243285357.db2.gz KGVCNUVMWXZPQX-JTQLQIEISA-N -1 0 358.372 -0.010 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCOCC2)o1 ZINC000261859988 243286384 /nfs/dbraw/zinc/28/63/84/243286384.db2.gz KGVCNUVMWXZPQX-SNVBAGLBSA-N -1 0 358.372 -0.010 20 0 FBADRM COc1ccc(S(=O)(=O)N(C)CC(=O)[O-])cc1[C@]1(C)NC(=O)NC1=O ZINC000261872669 243288696 /nfs/dbraw/zinc/28/86/96/243288696.db2.gz QWDQYVCRAGTGTE-AWEZNQCLSA-N -1 0 371.371 -0.545 20 0 FBADRM COc1ccc(S(=O)(=O)N(C)CC(=O)[O-])cc1[C@@]1(C)NC(=O)NC1=O ZINC000261872671 243288953 /nfs/dbraw/zinc/28/89/53/243288953.db2.gz QWDQYVCRAGTGTE-CQSZACIVSA-N -1 0 371.371 -0.545 20 0 FBADRM O=C([O-])CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000261881996 243288590 /nfs/dbraw/zinc/28/85/90/243288590.db2.gz UGDNVWCRYSMPEJ-UHFFFAOYSA-N -1 0 364.401 -0.930 20 0 FBADRM CCN(CC(=O)[O-])C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000261906003 243288571 /nfs/dbraw/zinc/28/85/71/243288571.db2.gz FTDYKIXHNIVHFB-UHFFFAOYSA-N -1 0 371.415 -0.283 20 0 FBADRM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N(C)CC(=O)[O-])s1 ZINC000261908095 243289102 /nfs/dbraw/zinc/28/91/02/243289102.db2.gz XMGFUPHMUIHGTC-UHFFFAOYSA-N -1 0 370.474 -0.065 20 0 FBADRM CCOc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1OCC ZINC000261925519 243289486 /nfs/dbraw/zinc/28/94/86/243289486.db2.gz SDXQLGHDSMHSMW-UHFFFAOYSA-N -1 0 360.388 -0.037 20 0 FBADRM O=C([O-])CCN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000261950569 243290660 /nfs/dbraw/zinc/29/06/60/243290660.db2.gz WHLYLHGOSBMPBA-UHFFFAOYSA-N -1 0 354.388 -0.363 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000261970825 243292139 /nfs/dbraw/zinc/29/21/39/243292139.db2.gz BIVQOMSYHCQSIV-CHWSQXEVSA-N -1 0 361.402 -0.258 20 0 FBADRM O=C([O-])[C@H]1CC[C@H]1C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000261970826 243291455 /nfs/dbraw/zinc/29/14/55/243291455.db2.gz BIVQOMSYHCQSIV-OLZOCXBDSA-N -1 0 361.402 -0.258 20 0 FBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000261970827 243292692 /nfs/dbraw/zinc/29/26/92/243292692.db2.gz BIVQOMSYHCQSIV-QWHCGFSZSA-N -1 0 361.402 -0.258 20 0 FBADRM O=C([O-])[C@H]1CC[C@@H]1C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000261970828 243291939 /nfs/dbraw/zinc/29/19/39/243291939.db2.gz BIVQOMSYHCQSIV-STQMWFEESA-N -1 0 361.402 -0.258 20 0 FBADRM O=C([O-])[C@H]1CC[C@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261978801 243291979 /nfs/dbraw/zinc/29/19/79/243291979.db2.gz BXECYNILYUDONG-NEPJUHHUSA-N -1 0 357.388 -0.241 20 0 FBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261978803 243293014 /nfs/dbraw/zinc/29/30/14/243293014.db2.gz BXECYNILYUDONG-NWDGAFQWSA-N -1 0 357.388 -0.241 20 0 FBADRM O=C([O-])[C@H]1CC[C@@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261978805 243291947 /nfs/dbraw/zinc/29/19/47/243291947.db2.gz BXECYNILYUDONG-RYUDHWBXSA-N -1 0 357.388 -0.241 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261978807 243292830 /nfs/dbraw/zinc/29/28/30/243292830.db2.gz BXECYNILYUDONG-VXGBXAGGSA-N -1 0 357.388 -0.241 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)NC1CCC(C(=O)[O-])CC1)c(=O)n2C ZINC000262015790 243293566 /nfs/dbraw/zinc/29/35/66/243293566.db2.gz ICACLCQBWZXEMV-UHFFFAOYSA-N -1 0 363.374 -0.807 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)NCc1nc(C(=O)[O-])cs1 ZINC000262027855 243295403 /nfs/dbraw/zinc/29/54/03/243295403.db2.gz ALQMPYDSUWWOOW-UHFFFAOYSA-N -1 0 351.406 -0.587 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(COC)C(=O)[O-])c1 ZINC000262029660 243294114 /nfs/dbraw/zinc/29/41/14/243294114.db2.gz AQWAUFWSSCYXFR-HNNXBMFYSA-N -1 0 374.415 -0.169 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(COC)C(=O)[O-])c1 ZINC000262029663 243293673 /nfs/dbraw/zinc/29/36/73/243293673.db2.gz AQWAUFWSSCYXFR-OAHLLOKOSA-N -1 0 374.415 -0.169 20 0 FBADRM O=C([O-])c1ccc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cn1 ZINC000262032102 243293260 /nfs/dbraw/zinc/29/32/60/243293260.db2.gz OVCAYJKBMYRXPC-UHFFFAOYSA-N -1 0 374.353 -0.787 20 0 FBADRM Cn1c2ncn(CC(=O)NC3CCC(C(=O)[O-])CC3)c2c(=O)n(C)c1=O ZINC000262039538 243293578 /nfs/dbraw/zinc/29/35/78/243293578.db2.gz KZZNPNRWJAPALU-UHFFFAOYSA-N -1 0 363.374 -0.807 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N[C@@](C)(COC)C(=O)[O-])ccc1OC ZINC000262040139 243295473 /nfs/dbraw/zinc/29/54/73/243295473.db2.gz CPQYKTRNHXRKOL-AWEZNQCLSA-N -1 0 360.388 -0.177 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N[C@](C)(COC)C(=O)[O-])ccc1OC ZINC000262040141 243295382 /nfs/dbraw/zinc/29/53/82/243295382.db2.gz CPQYKTRNHXRKOL-CQSZACIVSA-N -1 0 360.388 -0.177 20 0 FBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)CN2CCCS2(=O)=O)cc1 ZINC000262041046 243295436 /nfs/dbraw/zinc/29/54/36/243295436.db2.gz CWZVHJYLOCDUGC-UHFFFAOYSA-N -1 0 369.399 -0.596 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)CC1 ZINC000262046168 534798356 /nfs/dbraw/zinc/79/83/56/534798356.db2.gz UFSHSKHOFCBHAH-UHFFFAOYSA-N -1 0 369.399 -0.646 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000262050959 536617855 /nfs/dbraw/zinc/61/78/55/536617855.db2.gz FOUCISWDNJIUFL-AWEZNQCLSA-N -1 0 357.388 -0.520 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000262050964 243293775 /nfs/dbraw/zinc/29/37/75/243293775.db2.gz FOUCISWDNJIUFL-CQSZACIVSA-N -1 0 357.388 -0.520 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000262057576 243294801 /nfs/dbraw/zinc/29/48/01/243294801.db2.gz COEXZCMASZQEMZ-CYBMUJFWSA-N -1 0 358.416 -0.246 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000262057578 243295205 /nfs/dbraw/zinc/29/52/05/243295205.db2.gz COEXZCMASZQEMZ-ZDUSSCGKSA-N -1 0 358.416 -0.246 20 0 FBADRM COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000262062652 243294035 /nfs/dbraw/zinc/29/40/35/243294035.db2.gz ZJWYPIANTIBSNR-UHFFFAOYSA-N -1 0 374.415 -0.216 20 0 FBADRM COc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1S(=O)(=O)N(C)C ZINC000262063155 536766898 /nfs/dbraw/zinc/76/68/98/536766898.db2.gz HKKMXMXDHRZMDC-HNNXBMFYSA-N -1 0 372.399 -0.081 20 0 FBADRM COc1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1S(=O)(=O)N(C)C ZINC000262063158 243293687 /nfs/dbraw/zinc/29/36/87/243293687.db2.gz HKKMXMXDHRZMDC-OAHLLOKOSA-N -1 0 372.399 -0.081 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000262067728 243294255 /nfs/dbraw/zinc/29/42/55/243294255.db2.gz BPSZVLKVMYRBOJ-GXSJLCMTSA-N -1 0 358.420 -0.221 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000262067731 243294653 /nfs/dbraw/zinc/29/46/53/243294653.db2.gz BPSZVLKVMYRBOJ-KOLCDFICSA-N -1 0 358.420 -0.221 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000262067733 243294851 /nfs/dbraw/zinc/29/48/51/243294851.db2.gz BPSZVLKVMYRBOJ-MWLCHTKSSA-N -1 0 358.420 -0.221 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000262067734 243295014 /nfs/dbraw/zinc/29/50/14/243295014.db2.gz BPSZVLKVMYRBOJ-ONGXEEELSA-N -1 0 358.420 -0.221 20 0 FBADRM CNS(=O)(=O)c1ccc(CCC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000262069425 536315546 /nfs/dbraw/zinc/31/55/46/536315546.db2.gz ILOITTATGZRCNI-HNNXBMFYSA-N -1 0 356.400 -0.113 20 0 FBADRM CNS(=O)(=O)c1ccc(CCC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000262069427 536315510 /nfs/dbraw/zinc/31/55/10/536315510.db2.gz ILOITTATGZRCNI-OAHLLOKOSA-N -1 0 356.400 -0.113 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)CN1CCCS1(=O)=O)Oc1ccc(F)cc1 ZINC000262076132 243295584 /nfs/dbraw/zinc/29/55/84/243295584.db2.gz GEVCHRJUZRFZHL-GFCCVEGCSA-N -1 0 360.363 -0.191 20 0 FBADRM O=C([O-])[C@H](CNC(=O)CN1CCCS1(=O)=O)Oc1ccc(F)cc1 ZINC000262076134 243294459 /nfs/dbraw/zinc/29/44/59/243294459.db2.gz GEVCHRJUZRFZHL-LBPRGKRZSA-N -1 0 360.363 -0.191 20 0 FBADRM COC1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000262077717 243298256 /nfs/dbraw/zinc/29/82/56/243298256.db2.gz GLHZTEFNDHTXGM-JTQLQIEISA-N -1 0 358.372 -0.012 20 0 FBADRM COC1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000262077719 243296479 /nfs/dbraw/zinc/29/64/79/243296479.db2.gz GLHZTEFNDHTXGM-SNVBAGLBSA-N -1 0 358.372 -0.012 20 0 FBADRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)CN1CCCS1(=O)=O ZINC000262079381 243298202 /nfs/dbraw/zinc/29/82/02/243298202.db2.gz DYZHAJPXRCAUND-GFCCVEGCSA-N -1 0 350.437 -0.002 20 0 FBADRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)CN1CCCS1(=O)=O ZINC000262079383 535513350 /nfs/dbraw/zinc/51/33/50/535513350.db2.gz DYZHAJPXRCAUND-LBPRGKRZSA-N -1 0 350.437 -0.002 20 0 FBADRM C[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000262083299 243296677 /nfs/dbraw/zinc/29/66/77/243296677.db2.gz BSVCKNFGTGHKGO-LLVKDONJSA-N -1 0 368.411 -0.311 20 0 FBADRM C[C@H](NC(=O)Cc1ccccc1C(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000262083303 243298395 /nfs/dbraw/zinc/29/83/95/243298395.db2.gz BSVCKNFGTGHKGO-NSHDSACASA-N -1 0 368.411 -0.311 20 0 FBADRM COc1ccccc1C[C@H](CNC(=O)CNC(=O)CNC(C)=O)C(=O)[O-] ZINC000262089544 537055513 /nfs/dbraw/zinc/05/55/13/537055513.db2.gz HSRHFSQGQWVTEI-CYBMUJFWSA-N -1 0 365.386 -0.693 20 0 FBADRM COc1ccccc1C[C@@H](CNC(=O)CNC(=O)CNC(C)=O)C(=O)[O-] ZINC000262089546 243298050 /nfs/dbraw/zinc/29/80/50/243298050.db2.gz HSRHFSQGQWVTEI-ZDUSSCGKSA-N -1 0 365.386 -0.693 20 0 FBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)C(C)(C)NS(C)(=O)=O ZINC000262089882 243296797 /nfs/dbraw/zinc/29/67/97/243296797.db2.gz CIRHSVPQCPLCSZ-JTQLQIEISA-N -1 0 363.436 -0.904 20 0 FBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)C(C)(C)NS(C)(=O)=O ZINC000262089884 243296770 /nfs/dbraw/zinc/29/67/70/243296770.db2.gz CIRHSVPQCPLCSZ-SNVBAGLBSA-N -1 0 363.436 -0.904 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000262094163 243298402 /nfs/dbraw/zinc/29/84/02/243298402.db2.gz MAIHOXCORJFKIH-HNNXBMFYSA-N -1 0 372.399 -0.415 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000262094164 243298302 /nfs/dbraw/zinc/29/83/02/243298302.db2.gz MAIHOXCORJFKIH-OAHLLOKOSA-N -1 0 372.399 -0.415 20 0 FBADRM O=C([O-])[C@@]1(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CCSC1 ZINC000262096947 243298410 /nfs/dbraw/zinc/29/84/10/243298410.db2.gz GJYPRHNRMBZTPN-CYBMUJFWSA-N -1 0 357.413 -0.440 20 0 FBADRM O=C([O-])[C@]1(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CCSC1 ZINC000262096949 243298558 /nfs/dbraw/zinc/29/85/58/243298558.db2.gz GJYPRHNRMBZTPN-ZDUSSCGKSA-N -1 0 357.413 -0.440 20 0 FBADRM O=C([O-])[C@]1(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CCOC1 ZINC000262099999 243298456 /nfs/dbraw/zinc/29/84/56/243298456.db2.gz GRIVQDKKRPTHJX-AWEZNQCLSA-N -1 0 360.363 -0.146 20 0 FBADRM O=C([O-])[C@@]1(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CCOC1 ZINC000262100001 243297007 /nfs/dbraw/zinc/29/70/07/243297007.db2.gz GRIVQDKKRPTHJX-CQSZACIVSA-N -1 0 360.363 -0.146 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC[C@H](C)CC(=O)[O-] ZINC000262104197 243298482 /nfs/dbraw/zinc/29/84/82/243298482.db2.gz CSCIKGMMHHHBHP-PSASIEDQSA-N -1 0 360.436 -0.069 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@H](C)CC(=O)[O-] ZINC000262104198 243296929 /nfs/dbraw/zinc/29/69/29/243296929.db2.gz CSCIKGMMHHHBHP-SCZZXKLOSA-N -1 0 360.436 -0.069 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC[C@@H](C)CC(=O)[O-] ZINC000262104199 243296542 /nfs/dbraw/zinc/29/65/42/243296542.db2.gz CSCIKGMMHHHBHP-WCBMZHEXSA-N -1 0 360.436 -0.069 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](C)CC(=O)[O-] ZINC000262104200 243296590 /nfs/dbraw/zinc/29/65/90/243296590.db2.gz CSCIKGMMHHHBHP-WPRPVWTQSA-N -1 0 360.436 -0.069 20 0 FBADRM COc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000262105301 243297963 /nfs/dbraw/zinc/29/79/63/243297963.db2.gz DZXKQALLCIYIOC-JTQLQIEISA-N -1 0 372.399 -0.081 20 0 FBADRM COc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000262105302 243297731 /nfs/dbraw/zinc/29/77/31/243297731.db2.gz DZXKQALLCIYIOC-SNVBAGLBSA-N -1 0 372.399 -0.081 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000262106214 536641531 /nfs/dbraw/zinc/64/15/31/536641531.db2.gz IBGNJWNYIFNAKZ-JTQLQIEISA-N -1 0 354.450 -0.639 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC000262106216 536641471 /nfs/dbraw/zinc/64/14/71/536641471.db2.gz IBGNJWNYIFNAKZ-SNVBAGLBSA-N -1 0 354.450 -0.639 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)ccc1OC ZINC000262107753 243298565 /nfs/dbraw/zinc/29/85/65/243298565.db2.gz DJSXDXGXQLLHCQ-BXKDBHETSA-N -1 0 372.399 -0.083 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)ccc1OC ZINC000262107758 243298354 /nfs/dbraw/zinc/29/83/54/243298354.db2.gz DJSXDXGXQLLHCQ-SKDRFNHKSA-N -1 0 372.399 -0.083 20 0 FBADRM C[C@@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C[C@@H](C(=O)[O-])O1 ZINC000262109669 243298485 /nfs/dbraw/zinc/29/84/85/243298485.db2.gz DSUBQTJFTXEURZ-KOLCDFICSA-N -1 0 355.372 -0.816 20 0 FBADRM C[C@@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C[C@H](C(=O)[O-])O1 ZINC000262109675 243296487 /nfs/dbraw/zinc/29/64/87/243296487.db2.gz DSUBQTJFTXEURZ-MWLCHTKSSA-N -1 0 355.372 -0.816 20 0 FBADRM CS(=O)(=O)N1CCc2cc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)ccc21 ZINC000262111140 243297477 /nfs/dbraw/zinc/29/74/77/243297477.db2.gz HUCBXZQBCMGRJA-HNNXBMFYSA-N -1 0 354.384 -0.018 20 0 FBADRM CS(=O)(=O)N1CCc2cc(C(=O)N[C@]3(C(=O)[O-])CCOC3)ccc21 ZINC000262111143 243298026 /nfs/dbraw/zinc/29/80/26/243298026.db2.gz HUCBXZQBCMGRJA-OAHLLOKOSA-N -1 0 354.384 -0.018 20 0 FBADRM COc1ccc(C(=O)N(C)CC(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000262113659 536691549 /nfs/dbraw/zinc/69/15/49/536691549.db2.gz MUVAPODFAPPRAH-UHFFFAOYSA-N -1 0 372.399 -0.127 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000262119250 536642295 /nfs/dbraw/zinc/64/22/95/536642295.db2.gz IPYLJTSOAOSRAI-CYBMUJFWSA-N -1 0 358.416 -0.073 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000262119252 243298009 /nfs/dbraw/zinc/29/80/09/243298009.db2.gz IPYLJTSOAOSRAI-ZDUSSCGKSA-N -1 0 358.416 -0.073 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000262120041 536642778 /nfs/dbraw/zinc/64/27/78/536642778.db2.gz GGTDVKMSEUKTRX-UHFFFAOYSA-N -1 0 358.416 -0.001 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000262120208 536642253 /nfs/dbraw/zinc/64/22/53/536642253.db2.gz LEGQXSLPFFIRRE-UHFFFAOYSA-N -1 0 358.416 -0.001 20 0 FBADRM O=C([O-])CCCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000262120496 243300841 /nfs/dbraw/zinc/30/08/41/243300841.db2.gz ILVIHQAJOUBPGJ-UHFFFAOYSA-N -1 0 369.399 -0.598 20 0 FBADRM O=C([O-])CCCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000262124392 243299098 /nfs/dbraw/zinc/29/90/98/243299098.db2.gz JFHHYEQIIHCREO-UHFFFAOYSA-N -1 0 369.399 -0.598 20 0 FBADRM COc1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1S(=O)(=O)N(C)C ZINC000262126235 536728128 /nfs/dbraw/zinc/72/81/28/536728128.db2.gz QBIJWECMSJNOKA-GFCCVEGCSA-N -1 0 372.399 -0.129 20 0 FBADRM COc1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1S(=O)(=O)N(C)C ZINC000262126238 536729386 /nfs/dbraw/zinc/72/93/86/536729386.db2.gz QBIJWECMSJNOKA-LBPRGKRZSA-N -1 0 372.399 -0.129 20 0 FBADRM COc1ccccc1C[C@H](CNC(=O)CN(C)S(C)(=O)=O)C(=O)[O-] ZINC000262135174 537055196 /nfs/dbraw/zinc/05/51/96/537055196.db2.gz MVCYLQDZHSSEDE-GFCCVEGCSA-N -1 0 358.416 -0.054 20 0 FBADRM COc1ccccc1C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)C(=O)[O-] ZINC000262135178 243299786 /nfs/dbraw/zinc/29/97/86/243299786.db2.gz MVCYLQDZHSSEDE-LBPRGKRZSA-N -1 0 358.416 -0.054 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@H](C(=O)[O-])[C@@H](C2CC2)C1 ZINC000262138886 243299909 /nfs/dbraw/zinc/29/99/09/243299909.db2.gz ONCIZHMUDPSPAV-OLZOCXBDSA-N -1 0 362.448 -0.100 20 0 FBADRM CCN1C(=O)c2ccc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)cc2S1(=O)=O ZINC000262142756 243298953 /nfs/dbraw/zinc/29/89/53/243298953.db2.gz SGFARCYAVHKRBI-HNNXBMFYSA-N -1 0 368.367 -0.176 20 0 FBADRM CCN1C(=O)c2ccc(C(=O)N[C@]3(C(=O)[O-])CCOC3)cc2S1(=O)=O ZINC000262142758 535438967 /nfs/dbraw/zinc/43/89/67/535438967.db2.gz SGFARCYAVHKRBI-OAHLLOKOSA-N -1 0 368.367 -0.176 20 0 FBADRM O=C([O-])Cn1cc(CNC(=O)Cn2cc(Br)ccc2=O)nn1 ZINC000262143462 243300656 /nfs/dbraw/zinc/30/06/56/243300656.db2.gz MOMJAPWKYHWCMJ-UHFFFAOYSA-N -1 0 370.163 -0.397 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000262145965 534331635 /nfs/dbraw/zinc/33/16/35/534331635.db2.gz OAZWTHBJIKIBAH-GFCCVEGCSA-N -1 0 355.322 -0.974 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000262145967 534331039 /nfs/dbraw/zinc/33/10/39/534331039.db2.gz OAZWTHBJIKIBAH-LBPRGKRZSA-N -1 0 355.322 -0.974 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000262146053 243300276 /nfs/dbraw/zinc/30/02/76/243300276.db2.gz LINSFXFFUARTAW-GXSJLCMTSA-N -1 0 360.436 -0.071 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000262146057 243300928 /nfs/dbraw/zinc/30/09/28/243300928.db2.gz LINSFXFFUARTAW-KOLCDFICSA-N -1 0 360.436 -0.071 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000262146061 243299392 /nfs/dbraw/zinc/29/93/92/243299392.db2.gz LINSFXFFUARTAW-MWLCHTKSSA-N -1 0 360.436 -0.071 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000262146065 243299405 /nfs/dbraw/zinc/29/94/05/243299405.db2.gz LINSFXFFUARTAW-ONGXEEELSA-N -1 0 360.436 -0.071 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262147243 243300258 /nfs/dbraw/zinc/30/02/58/243300258.db2.gz YNANOKDBHSRXCF-KPPDAEKUSA-N -1 0 358.420 -0.154 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262147244 243299818 /nfs/dbraw/zinc/29/98/18/243299818.db2.gz YNANOKDBHSRXCF-WHXUTIOJSA-N -1 0 358.420 -0.154 20 0 FBADRM COc1ccc(S(=O)(=O)NCCC(=O)NCCC(=O)[O-])cc1OC ZINC000262147281 536873640 /nfs/dbraw/zinc/87/36/40/536873640.db2.gz AAFZJRXRDGJBTB-UHFFFAOYSA-N -1 0 360.388 -0.037 20 0 FBADRM O=C([O-])CNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000262147357 243300165 /nfs/dbraw/zinc/30/01/65/243300165.db2.gz ACGVJRXCTFRGEA-UHFFFAOYSA-N -1 0 359.379 -0.667 20 0 FBADRM CC(=O)NCCN(C(=O)CCOc1cccc(C(N)=O)c1)[C@H](C)C(=O)[O-] ZINC000262147429 534420062 /nfs/dbraw/zinc/42/00/62/534420062.db2.gz AEKLGVIARWRMBG-LLVKDONJSA-N -1 0 365.386 -0.008 20 0 FBADRM CC(=O)NCCN(C(=O)CCOc1cccc(C(N)=O)c1)[C@@H](C)C(=O)[O-] ZINC000262147432 534420386 /nfs/dbraw/zinc/42/03/86/534420386.db2.gz AEKLGVIARWRMBG-NSHDSACASA-N -1 0 365.386 -0.008 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000262151211 243299639 /nfs/dbraw/zinc/29/96/39/243299639.db2.gz LVWYEFBQDCIVSS-GFCCVEGCSA-N -1 0 354.450 -0.593 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000262151213 243300251 /nfs/dbraw/zinc/30/02/51/243300251.db2.gz LVWYEFBQDCIVSS-LBPRGKRZSA-N -1 0 354.450 -0.593 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000262155517 536642967 /nfs/dbraw/zinc/64/29/67/536642967.db2.gz NNICNUAFNPRGSD-AWEZNQCLSA-N -1 0 370.427 -0.020 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000262155518 536642642 /nfs/dbraw/zinc/64/26/42/536642642.db2.gz NNICNUAFNPRGSD-CQSZACIVSA-N -1 0 370.427 -0.020 20 0 FBADRM CC(=O)NCCN(C(=O)CN1C(=O)COc2ccccc21)[C@H](C)C(=O)[O-] ZINC000262158810 534421112 /nfs/dbraw/zinc/42/11/12/534421112.db2.gz BSQKITGUUAOTSU-LLVKDONJSA-N -1 0 363.370 -0.150 20 0 FBADRM CC(=O)NCCN(C(=O)CN1C(=O)COc2ccccc21)[C@@H](C)C(=O)[O-] ZINC000262158812 534421146 /nfs/dbraw/zinc/42/11/46/534421146.db2.gz BSQKITGUUAOTSU-NSHDSACASA-N -1 0 363.370 -0.150 20 0 FBADRM CC(=O)NCCN(C(=O)CNC(=O)Cc1cccc(F)c1)[C@H](C)C(=O)[O-] ZINC000262158849 534420600 /nfs/dbraw/zinc/42/06/00/534420600.db2.gz BTYMSEUAFKUQDN-LLVKDONJSA-N -1 0 367.377 -0.078 20 0 FBADRM CC(=O)NCCN(C(=O)CNC(=O)Cc1cccc(F)c1)[C@@H](C)C(=O)[O-] ZINC000262158851 534420752 /nfs/dbraw/zinc/42/07/52/534420752.db2.gz BTYMSEUAFKUQDN-NSHDSACASA-N -1 0 367.377 -0.078 20 0 FBADRM CC(=O)NCCN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)[C@@H](C)C(=O)[O-] ZINC000262158896 534420761 /nfs/dbraw/zinc/42/07/61/534420761.db2.gz BVNVNUSDNDJYSA-JTQLQIEISA-N -1 0 368.390 -0.711 20 0 FBADRM CC(=O)NCCN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)[C@H](C)C(=O)[O-] ZINC000262158897 534420647 /nfs/dbraw/zinc/42/06/47/534420647.db2.gz BVNVNUSDNDJYSA-SNVBAGLBSA-N -1 0 368.390 -0.711 20 0 FBADRM CC(=O)NCCN(C(=O)CCCN1C(=O)CN(C)C1=O)[C@@H](C)C(=O)[O-] ZINC000262162945 659015584 /nfs/dbraw/zinc/01/55/84/659015584.db2.gz CICUUUFEAYKDPK-JTQLQIEISA-N -1 0 356.379 -0.902 20 0 FBADRM CC(=O)NCCN(C(=O)CCCN1C(=O)CN(C)C1=O)[C@H](C)C(=O)[O-] ZINC000262162950 660132450 /nfs/dbraw/zinc/13/24/50/660132450.db2.gz CICUUUFEAYKDPK-SNVBAGLBSA-N -1 0 356.379 -0.902 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000262165329 243300916 /nfs/dbraw/zinc/30/09/16/243300916.db2.gz OCXMDUSZAONPJY-PELKAZGASA-N -1 0 358.372 -0.343 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000262167125 243300221 /nfs/dbraw/zinc/30/02/21/243300221.db2.gz OCXMDUSZAONPJY-PRHODGIISA-N -1 0 358.372 -0.343 20 0 FBADRM CC(=O)NCCN(C(=O)CCOc1ccc(C(N)=O)cc1)[C@H](C)C(=O)[O-] ZINC000262169091 534419860 /nfs/dbraw/zinc/41/98/60/534419860.db2.gz DBDAHIIQUJSJCE-LLVKDONJSA-N -1 0 365.386 -0.008 20 0 FBADRM CC(=O)NCCN(C(=O)CCOc1ccc(C(N)=O)cc1)[C@@H](C)C(=O)[O-] ZINC000262169093 534419740 /nfs/dbraw/zinc/41/97/40/534419740.db2.gz DBDAHIIQUJSJCE-NSHDSACASA-N -1 0 365.386 -0.008 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000262170232 243303955 /nfs/dbraw/zinc/30/39/55/243303955.db2.gz DXNAAJDCFGRDBH-GHMZBOCLSA-N -1 0 352.409 -0.969 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000262170235 243302623 /nfs/dbraw/zinc/30/26/23/243302623.db2.gz DXNAAJDCFGRDBH-MNOVXSKESA-N -1 0 352.409 -0.969 20 0 FBADRM O=C([O-])CNC(=O)CN1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000262170894 243302229 /nfs/dbraw/zinc/30/22/29/243302229.db2.gz DDWOVHDMMGHMNL-GFCCVEGCSA-N -1 0 373.406 -0.231 20 0 FBADRM O=C([O-])CNC(=O)CN1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000262170895 243303356 /nfs/dbraw/zinc/30/33/56/243303356.db2.gz DDWOVHDMMGHMNL-LBPRGKRZSA-N -1 0 373.406 -0.231 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(COC)C(=O)[O-])cc1 ZINC000262171127 243301881 /nfs/dbraw/zinc/30/18/81/243301881.db2.gz WIWAWQGTJNROAD-HNNXBMFYSA-N -1 0 374.415 -0.169 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(COC)C(=O)[O-])cc1 ZINC000262171129 243301655 /nfs/dbraw/zinc/30/16/55/243301655.db2.gz WIWAWQGTJNROAD-OAHLLOKOSA-N -1 0 374.415 -0.169 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)CN2CCCS2(=O)=O)cc1 ZINC000262173441 243302743 /nfs/dbraw/zinc/30/27/43/243302743.db2.gz PIXBWHQNQUKFRD-UHFFFAOYSA-N -1 0 355.372 -0.525 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cn(CC(=O)[O-])nn2)cc1 ZINC000262173451 536107268 /nfs/dbraw/zinc/10/72/68/536107268.db2.gz HZEOTNTWIIUFGQ-UHFFFAOYSA-N -1 0 367.387 -0.457 20 0 FBADRM O=C([O-])C[C@@H]1COCCN1C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000262175080 243301975 /nfs/dbraw/zinc/30/19/75/243301975.db2.gz CXCSDEWGQZAYKX-LLVKDONJSA-N -1 0 350.327 -0.153 20 0 FBADRM O=C([O-])C[C@H]1COCCN1C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000262175083 243304047 /nfs/dbraw/zinc/30/40/47/243304047.db2.gz CXCSDEWGQZAYKX-NSHDSACASA-N -1 0 350.327 -0.153 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000262176496 243303470 /nfs/dbraw/zinc/30/34/70/243303470.db2.gz DZPWWRWVMZTXBD-JTQLQIEISA-N -1 0 351.425 -0.904 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000262176497 243303459 /nfs/dbraw/zinc/30/34/59/243303459.db2.gz DZPWWRWVMZTXBD-SNVBAGLBSA-N -1 0 351.425 -0.904 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cc1 ZINC000262176504 536313347 /nfs/dbraw/zinc/31/33/47/536313347.db2.gz DZWNNEBMMXQWOX-JTQLQIEISA-N -1 0 371.415 -0.354 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cc1 ZINC000262176505 536312961 /nfs/dbraw/zinc/31/29/61/536312961.db2.gz DZWNNEBMMXQWOX-SNVBAGLBSA-N -1 0 371.415 -0.354 20 0 FBADRM COc1ccc([C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C(=O)[O-])cc1 ZINC000262178309 536928725 /nfs/dbraw/zinc/92/87/25/536928725.db2.gz OLRXPBCSAAKDFL-AWEZNQCLSA-N -1 0 361.358 -0.069 20 0 FBADRM COc1ccc([C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C(=O)[O-])cc1 ZINC000262178312 536889508 /nfs/dbraw/zinc/88/95/08/536889508.db2.gz OLRXPBCSAAKDFL-CQSZACIVSA-N -1 0 361.358 -0.069 20 0 FBADRM CC(=O)NCCN(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@H](C)C(=O)[O-] ZINC000262178581 534425894 /nfs/dbraw/zinc/42/58/94/534425894.db2.gz FDYQSXYTLUOOAM-PSASIEDQSA-N -1 0 367.324 -0.165 20 0 FBADRM CC(=O)NCCN(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)[C@H](C)C(=O)[O-] ZINC000262178582 534425175 /nfs/dbraw/zinc/42/51/75/534425175.db2.gz FDYQSXYTLUOOAM-SCZZXKLOSA-N -1 0 367.324 -0.165 20 0 FBADRM CC(=O)NCCN(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@@H](C)C(=O)[O-] ZINC000262178583 534425236 /nfs/dbraw/zinc/42/52/36/534425236.db2.gz FDYQSXYTLUOOAM-WCBMZHEXSA-N -1 0 367.324 -0.165 20 0 FBADRM CC(=O)NCCN(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)[C@@H](C)C(=O)[O-] ZINC000262178584 534425655 /nfs/dbraw/zinc/42/56/55/534425655.db2.gz FDYQSXYTLUOOAM-WPRPVWTQSA-N -1 0 367.324 -0.165 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000262179821 534336056 /nfs/dbraw/zinc/33/60/56/534336056.db2.gz XJGCWZNBZREJMZ-UHFFFAOYSA-N -1 0 357.750 -0.006 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cn1 ZINC000262180346 599857907 /nfs/dbraw/zinc/85/79/07/599857907.db2.gz GKEVLWBZBUNNEU-ZDUSSCGKSA-N -1 0 366.399 -0.490 20 0 FBADRM COc1cc(OC)cc(N2CC[C@H](N(C)CC(=O)NCC(=O)[O-])C2=O)c1 ZINC000262180767 243302756 /nfs/dbraw/zinc/30/27/56/243302756.db2.gz FNJSUHSRWQJIDS-AWEZNQCLSA-N -1 0 365.386 -0.058 20 0 FBADRM COc1cc(OC)cc(N2CC[C@@H](N(C)CC(=O)NCC(=O)[O-])C2=O)c1 ZINC000262180771 243303646 /nfs/dbraw/zinc/30/36/46/243303646.db2.gz FNJSUHSRWQJIDS-CQSZACIVSA-N -1 0 365.386 -0.058 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c(=O)n(C)c1=O ZINC000262183217 243301928 /nfs/dbraw/zinc/30/19/28/243301928.db2.gz IYOAPGZBGXLVHE-LLVKDONJSA-N -1 0 367.383 -0.942 20 0 FBADRM O=C([O-])C1(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CCSCC1 ZINC000262183655 243302932 /nfs/dbraw/zinc/30/29/32/243302932.db2.gz PDKXNYZINRKIFV-UHFFFAOYSA-N -1 0 371.440 -0.049 20 0 FBADRM CC(=O)NCCN(C(=O)CN1C(=O)c2ccccc2C1=O)[C@@H](C)C(=O)[O-] ZINC000262184723 534421201 /nfs/dbraw/zinc/42/12/01/534421201.db2.gz GASMOTLGQGIOGP-JTQLQIEISA-N -1 0 361.354 -0.280 20 0 FBADRM CC(=O)NCCN(C(=O)CN1C(=O)c2ccccc2C1=O)[C@H](C)C(=O)[O-] ZINC000262184724 534419834 /nfs/dbraw/zinc/41/98/34/534419834.db2.gz GASMOTLGQGIOGP-SNVBAGLBSA-N -1 0 361.354 -0.280 20 0 FBADRM Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)NCC(=O)[O-])CC2)c1 ZINC000262186406 243304275 /nfs/dbraw/zinc/30/42/75/243304275.db2.gz GEOJRTUNJHNVAO-UHFFFAOYSA-N -1 0 369.443 -0.189 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000262186461 243304184 /nfs/dbraw/zinc/30/41/84/243304184.db2.gz FHVCXNOUEIWDIK-IINYFYTJSA-N -1 0 356.404 -0.588 20 0 FBADRM O=C([O-])CCNC(=O)c1ccc(NC(=O)CN2CCCS2(=O)=O)cc1 ZINC000262190171 243302220 /nfs/dbraw/zinc/30/22/20/243302220.db2.gz YSFRMYPOZSMGFA-UHFFFAOYSA-N -1 0 369.399 -0.135 20 0 FBADRM CC(=O)NCCN(C(=O)Cc1ccc(-n2cnnn2)cc1)[C@H](C)C(=O)[O-] ZINC000262190334 534421799 /nfs/dbraw/zinc/42/17/99/534421799.db2.gz GQFOVIABPWJIGY-LLVKDONJSA-N -1 0 360.374 -0.357 20 0 FBADRM CC(=O)NCCN(C(=O)Cc1ccc(-n2cnnn2)cc1)[C@@H](C)C(=O)[O-] ZINC000262190336 534422531 /nfs/dbraw/zinc/42/25/31/534422531.db2.gz GQFOVIABPWJIGY-NSHDSACASA-N -1 0 360.374 -0.357 20 0 FBADRM CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC[C@@H]2C(=O)[O-])CC1 ZINC000262190389 243302343 /nfs/dbraw/zinc/30/23/43/243302343.db2.gz YJXRKFDFOHPWLK-CYBMUJFWSA-N -1 0 354.451 -0.406 20 0 FBADRM CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC[C@H]2C(=O)[O-])CC1 ZINC000262190393 243301726 /nfs/dbraw/zinc/30/17/26/243301726.db2.gz YJXRKFDFOHPWLK-ZDUSSCGKSA-N -1 0 354.451 -0.406 20 0 FBADRM CC(=O)NCCN(C(=O)CS[C@@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)[O-] ZINC000262190467 534422263 /nfs/dbraw/zinc/42/22/63/534422263.db2.gz GSIDHIFOGXDNKQ-GXSJLCMTSA-N -1 0 366.461 -0.656 20 0 FBADRM CC(=O)NCCN(C(=O)CS[C@H]1CCS(=O)(=O)C1)[C@H](C)C(=O)[O-] ZINC000262190470 534421983 /nfs/dbraw/zinc/42/19/83/534421983.db2.gz GSIDHIFOGXDNKQ-KOLCDFICSA-N -1 0 366.461 -0.656 20 0 FBADRM CC(=O)NCCN(C(=O)CS[C@@H]1CCS(=O)(=O)C1)[C@H](C)C(=O)[O-] ZINC000262190472 534421943 /nfs/dbraw/zinc/42/19/43/534421943.db2.gz GSIDHIFOGXDNKQ-MWLCHTKSSA-N -1 0 366.461 -0.656 20 0 FBADRM CC(=O)NCCN(C(=O)CS[C@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)[O-] ZINC000262190475 534422772 /nfs/dbraw/zinc/42/27/72/534422772.db2.gz GSIDHIFOGXDNKQ-ONGXEEELSA-N -1 0 366.461 -0.656 20 0 FBADRM O=C([O-])CNC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000262190478 243303293 /nfs/dbraw/zinc/30/32/93/243303293.db2.gz GSIIHNLVJAFGMW-UHFFFAOYSA-N -1 0 373.406 -0.277 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000262197196 243302174 /nfs/dbraw/zinc/30/21/74/243302174.db2.gz ZOOBSYNECRFHNX-HNNXBMFYSA-N -1 0 372.399 -0.415 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000262197199 243301710 /nfs/dbraw/zinc/30/17/10/243301710.db2.gz ZOOBSYNECRFHNX-OAHLLOKOSA-N -1 0 372.399 -0.415 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000262198912 243302997 /nfs/dbraw/zinc/30/29/97/243302997.db2.gz VRFGHKHMZTZNLW-GZMMTYOYSA-N -1 0 358.420 -0.317 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000262198914 243302863 /nfs/dbraw/zinc/30/28/63/243302863.db2.gz VRFGHKHMZTZNLW-KCJUWKMLSA-N -1 0 358.420 -0.317 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000262198916 243302518 /nfs/dbraw/zinc/30/25/18/243302518.db2.gz VRFGHKHMZTZNLW-KWQFWETISA-N -1 0 358.420 -0.317 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000262198918 243304024 /nfs/dbraw/zinc/30/40/24/243304024.db2.gz VRFGHKHMZTZNLW-LDYMZIIASA-N -1 0 358.420 -0.317 20 0 FBADRM CC(=O)NCCN(C(=O)c1ccc2c(c1)C(=O)N(C)C2=O)[C@H](C)C(=O)[O-] ZINC000262199605 243303367 /nfs/dbraw/zinc/30/33/67/243303367.db2.gz HZUDMAYKFMVSAA-SECBINFHSA-N -1 0 361.354 -0.036 20 0 FBADRM CC(=O)NCCN(C(=O)c1ccc2c(c1)C(=O)N(C)C2=O)[C@@H](C)C(=O)[O-] ZINC000262199608 243302723 /nfs/dbraw/zinc/30/27/23/243302723.db2.gz HZUDMAYKFMVSAA-VIFPVBQESA-N -1 0 361.354 -0.036 20 0 FBADRM O=C([O-])CCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000262199773 243302664 /nfs/dbraw/zinc/30/26/64/243302664.db2.gz IDJHCCNHKZWLPE-UHFFFAOYSA-N -1 0 355.372 -0.988 20 0 FBADRM CC(C)(NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)[O-] ZINC000262203028 535239980 /nfs/dbraw/zinc/23/99/80/535239980.db2.gz JQJRLMNPEOWODJ-UHFFFAOYSA-N -1 0 369.399 -0.600 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)ccc1OC ZINC000262207080 243304267 /nfs/dbraw/zinc/30/42/67/243304267.db2.gz ROPDVFXGTIETFG-AWEZNQCLSA-N -1 0 358.372 -0.423 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)ccc1OC ZINC000262207082 243303918 /nfs/dbraw/zinc/30/39/18/243303918.db2.gz ROPDVFXGTIETFG-CQSZACIVSA-N -1 0 358.372 -0.423 20 0 FBADRM CC(=O)NCCN(C(=O)Cn1ncc2ccccc2c1=O)[C@H](C)C(=O)[O-] ZINC000262208344 534423126 /nfs/dbraw/zinc/42/31/26/534423126.db2.gz JIBXMOOKJPURHY-LLVKDONJSA-N -1 0 360.370 -0.166 20 0 FBADRM CC(=O)NCCN(C(=O)Cn1ncc2ccccc2c1=O)[C@@H](C)C(=O)[O-] ZINC000262208347 534423088 /nfs/dbraw/zinc/42/30/88/534423088.db2.gz JIBXMOOKJPURHY-NSHDSACASA-N -1 0 360.370 -0.166 20 0 FBADRM C[C@@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C[C@@H](C(=O)[O-])O1 ZINC000262209738 243303730 /nfs/dbraw/zinc/30/37/30/243303730.db2.gz KXNWKUSFTCBBBI-KOLCDFICSA-N -1 0 355.372 -0.816 20 0 FBADRM C[C@@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C[C@H](C(=O)[O-])O1 ZINC000262209741 243304225 /nfs/dbraw/zinc/30/42/25/243304225.db2.gz KXNWKUSFTCBBBI-MWLCHTKSSA-N -1 0 355.372 -0.816 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])C1=O ZINC000262209937 243303159 /nfs/dbraw/zinc/30/31/59/243303159.db2.gz JMPIASUKFGSDHB-JTQLQIEISA-N -1 0 370.406 -0.465 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])C1=O ZINC000262209942 243302030 /nfs/dbraw/zinc/30/20/30/243302030.db2.gz JMPIASUKFGSDHB-SNVBAGLBSA-N -1 0 370.406 -0.465 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCC(C(=O)N(C)CC(=O)[O-])CC2)cn1C ZINC000262214362 243302115 /nfs/dbraw/zinc/30/21/15/243302115.db2.gz WFDDXDNPUXEKTQ-UHFFFAOYSA-N -1 0 358.420 -0.328 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC(=O)[O-])CC2)cc1 ZINC000262214547 243303781 /nfs/dbraw/zinc/30/37/81/243303781.db2.gz KKBGAYSIZRFFQE-UHFFFAOYSA-N -1 0 371.415 -0.798 20 0 FBADRM NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NCCC(=O)[O-])CC2=O)c1 ZINC000262216198 243302672 /nfs/dbraw/zinc/30/26/72/243302672.db2.gz KOKGQQBRVBHZOE-SECBINFHSA-N -1 0 355.372 -0.722 20 0 FBADRM NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NCCC(=O)[O-])CC2=O)c1 ZINC000262216200 243306599 /nfs/dbraw/zinc/30/65/99/243306599.db2.gz KOKGQQBRVBHZOE-VIFPVBQESA-N -1 0 355.372 -0.722 20 0 FBADRM CC(=O)NCCN(C(=O)CN(C)C(=O)[C@@H](C)n1cccn1)[C@@H](C)C(=O)[O-] ZINC000262219305 534420150 /nfs/dbraw/zinc/42/01/50/534420150.db2.gz LAIQLJRKWPUWOJ-NEPJUHHUSA-N -1 0 367.406 -0.660 20 0 FBADRM CC(=O)NCCN(C(=O)CN(C)C(=O)[C@H](C)n1cccn1)[C@H](C)C(=O)[O-] ZINC000262219308 534421188 /nfs/dbraw/zinc/42/11/88/534421188.db2.gz LAIQLJRKWPUWOJ-NWDGAFQWSA-N -1 0 367.406 -0.660 20 0 FBADRM CC(=O)NCCN(C(=O)CN(C)C(=O)[C@H](C)n1cccn1)[C@@H](C)C(=O)[O-] ZINC000262219311 534420981 /nfs/dbraw/zinc/42/09/81/534420981.db2.gz LAIQLJRKWPUWOJ-RYUDHWBXSA-N -1 0 367.406 -0.660 20 0 FBADRM CC(=O)NCCN(C(=O)CN(C)C(=O)[C@@H](C)n1cccn1)[C@H](C)C(=O)[O-] ZINC000262219313 534419936 /nfs/dbraw/zinc/41/99/36/534419936.db2.gz LAIQLJRKWPUWOJ-VXGBXAGGSA-N -1 0 367.406 -0.660 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000262219945 243304987 /nfs/dbraw/zinc/30/49/87/243304987.db2.gz KEQOHQCWIWECAP-IINYFYTJSA-N -1 0 356.404 -0.366 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000262220111 534331333 /nfs/dbraw/zinc/33/13/33/534331333.db2.gz XBAUWDCPYRRJCD-CYBMUJFWSA-N -1 0 359.741 -0.027 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000262220113 534333975 /nfs/dbraw/zinc/33/39/75/534333975.db2.gz XBAUWDCPYRRJCD-ZDUSSCGKSA-N -1 0 359.741 -0.027 20 0 FBADRM CC(=O)NCCN(C(=O)c1ccc(OCC(N)=O)cc1)[C@@H](C)C(=O)[O-] ZINC000262221012 243305181 /nfs/dbraw/zinc/30/51/81/243305181.db2.gz LLMONBGYIYUHSE-JTQLQIEISA-N -1 0 351.359 -0.398 20 0 FBADRM CC(=O)NCCN(C(=O)c1ccc(OCC(N)=O)cc1)[C@H](C)C(=O)[O-] ZINC000262221013 243306277 /nfs/dbraw/zinc/30/62/77/243306277.db2.gz LLMONBGYIYUHSE-SNVBAGLBSA-N -1 0 351.359 -0.398 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1 ZINC000262222481 243305863 /nfs/dbraw/zinc/30/58/63/243305863.db2.gz UCEQTQAPNGMUFA-AWEZNQCLSA-N -1 0 374.415 -0.107 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1 ZINC000262222482 243304623 /nfs/dbraw/zinc/30/46/23/243304623.db2.gz UCEQTQAPNGMUFA-CQSZACIVSA-N -1 0 374.415 -0.107 20 0 FBADRM CC(=O)NCCN(C(=O)c1csc(S(N)(=O)=O)c1)[C@H](C)C(=O)[O-] ZINC000262222544 243306160 /nfs/dbraw/zinc/30/61/60/243306160.db2.gz LNPSPWAFNKGACC-SSDOTTSWSA-N -1 0 363.417 -0.553 20 0 FBADRM CC(=O)NCCN(C(=O)c1csc(S(N)(=O)=O)c1)[C@@H](C)C(=O)[O-] ZINC000262222547 243305873 /nfs/dbraw/zinc/30/58/73/243305873.db2.gz LNPSPWAFNKGACC-ZETCQYMHSA-N -1 0 363.417 -0.553 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCC(=O)[O-])CC2)cc1 ZINC000262225147 243306123 /nfs/dbraw/zinc/30/61/23/243306123.db2.gz MAIDJJRNVFQHII-UHFFFAOYSA-N -1 0 369.443 -0.108 20 0 FBADRM COc1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000262226110 536727292 /nfs/dbraw/zinc/72/72/92/536727292.db2.gz WANMNBAZDKQPSB-LLVKDONJSA-N -1 0 372.399 -0.129 20 0 FBADRM COc1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000262226114 536726777 /nfs/dbraw/zinc/72/67/77/536726777.db2.gz WANMNBAZDKQPSB-NSHDSACASA-N -1 0 372.399 -0.129 20 0 FBADRM CC(=O)NCCN(C(=O)Cn1nnc(-c2ccccc2)n1)[C@H](C)C(=O)[O-] ZINC000262227798 534424177 /nfs/dbraw/zinc/42/41/77/534424177.db2.gz MOXCSKMDFHZJLK-LLVKDONJSA-N -1 0 360.374 -0.222 20 0 FBADRM CC(=O)NCCN(C(=O)Cn1nnc(-c2ccccc2)n1)[C@@H](C)C(=O)[O-] ZINC000262227800 534423266 /nfs/dbraw/zinc/42/32/66/534423266.db2.gz MOXCSKMDFHZJLK-NSHDSACASA-N -1 0 360.374 -0.222 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCC(=O)[O-])cc1 ZINC000262229333 243305960 /nfs/dbraw/zinc/30/59/60/243305960.db2.gz MWZTXAIDUROVIA-SECBINFHSA-N -1 0 357.388 -0.097 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCC(=O)[O-])cc1 ZINC000262229334 243305265 /nfs/dbraw/zinc/30/52/65/243305265.db2.gz MWZTXAIDUROVIA-VIFPVBQESA-N -1 0 357.388 -0.097 20 0 FBADRM O=C([O-])c1ccc(C(=O)NCCS(=O)(=O)N2CCSCC2)cn1 ZINC000262229732 243306299 /nfs/dbraw/zinc/30/62/99/243306299.db2.gz NQXXHLZEPPMXGH-UHFFFAOYSA-N -1 0 359.429 -0.112 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cn1 ZINC000262231463 243305603 /nfs/dbraw/zinc/30/56/03/243305603.db2.gz MIQMPHWLOLCXMK-IINYFYTJSA-N -1 0 356.404 -0.588 20 0 FBADRM Cn1c(=O)c2cc(C(=O)N3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)cnc2n(C)c1=O ZINC000262232615 243306079 /nfs/dbraw/zinc/30/60/79/243306079.db2.gz MMSFLWHPBXFJDQ-BBATYDOGSA-N -1 0 372.381 -0.041 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC1(C(=O)[O-])CCSCC1 ZINC000262233999 243304788 /nfs/dbraw/zinc/30/47/88/243304788.db2.gz VQTQCMRUGLOOBT-UHFFFAOYSA-N -1 0 368.477 -0.203 20 0 FBADRM CC(=O)NCCN(C(=O)CCS(=O)(=O)CC(C)C)[C@H](C)C(=O)[O-] ZINC000262234048 534420900 /nfs/dbraw/zinc/42/09/00/534420900.db2.gz NOHWCSVPDDGEET-LLVKDONJSA-N -1 0 350.437 -0.115 20 0 FBADRM CC(=O)NCCN(C(=O)CCS(=O)(=O)CC(C)C)[C@@H](C)C(=O)[O-] ZINC000262234051 534420858 /nfs/dbraw/zinc/42/08/58/534420858.db2.gz NOHWCSVPDDGEET-NSHDSACASA-N -1 0 350.437 -0.115 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](C)C(=O)[O-])CC2)cc1 ZINC000262235518 243304932 /nfs/dbraw/zinc/30/49/32/243304932.db2.gz NTTFEPBPRUTRAA-CYBMUJFWSA-N -1 0 369.443 -0.109 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](C)C(=O)[O-])CC2)cc1 ZINC000262235520 243304659 /nfs/dbraw/zinc/30/46/59/243304659.db2.gz NTTFEPBPRUTRAA-ZDUSSCGKSA-N -1 0 369.443 -0.109 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])o1 ZINC000262236902 536313298 /nfs/dbraw/zinc/31/32/98/536313298.db2.gz OEIICIQWPIXHPJ-MRVPVSSYSA-N -1 0 361.376 -0.761 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])o1 ZINC000262236903 536313152 /nfs/dbraw/zinc/31/31/52/536313152.db2.gz OEIICIQWPIXHPJ-QMMMGPOBSA-N -1 0 361.376 -0.761 20 0 FBADRM CCCC[C@H](NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000262238311 243305582 /nfs/dbraw/zinc/30/55/82/243305582.db2.gz AZMFDXLQFFDJCU-SRVKXCTJSA-N -1 0 360.432 -0.218 20 0 FBADRM CCCC[C@H](NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000262238312 243306371 /nfs/dbraw/zinc/30/63/71/243306371.db2.gz AZMFDXLQFFDJCU-TUAOUCFPSA-N -1 0 360.432 -0.218 20 0 FBADRM CCCC[C@H](NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000262238313 243306216 /nfs/dbraw/zinc/30/62/16/243306216.db2.gz AZMFDXLQFFDJCU-UTUOFQBUSA-N -1 0 360.432 -0.218 20 0 FBADRM CCCC[C@H](NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000262238314 243306431 /nfs/dbraw/zinc/30/64/31/243306431.db2.gz AZMFDXLQFFDJCU-WOPDTQHZSA-N -1 0 360.432 -0.218 20 0 FBADRM CC(=O)NCCN(C(=O)C1CCN(C(=O)N(C)C)CC1)[C@H](C)C(=O)[O-] ZINC000262240505 534418574 /nfs/dbraw/zinc/41/85/74/534418574.db2.gz OQYZPOUHVSFLDO-LLVKDONJSA-N -1 0 356.423 -0.182 20 0 FBADRM CC(=O)NCCN(C(=O)C1CCN(C(=O)N(C)C)CC1)[C@@H](C)C(=O)[O-] ZINC000262240513 534418052 /nfs/dbraw/zinc/41/80/52/534418052.db2.gz OQYZPOUHVSFLDO-NSHDSACASA-N -1 0 356.423 -0.182 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCCC(=O)[O-])cc1 ZINC000262248672 534747298 /nfs/dbraw/zinc/74/72/98/534747298.db2.gz QDDJHNINKZPPTA-UHFFFAOYSA-N -1 0 357.388 -0.144 20 0 FBADRM CC(=O)NCCN(C(=O)CN(C)c1ncnc2nc[nH]c21)[C@H](C)C(=O)[O-] ZINC000262251625 534421017 /nfs/dbraw/zinc/42/10/17/534421017.db2.gz QMYTWJITOSVCTI-SECBINFHSA-N -1 0 363.378 -0.773 20 0 FBADRM CC(=O)NCCN(C(=O)CN(C)c1ncnc2nc[nH]c21)[C@@H](C)C(=O)[O-] ZINC000262251626 534420577 /nfs/dbraw/zinc/42/05/77/534420577.db2.gz QMYTWJITOSVCTI-VIFPVBQESA-N -1 0 363.378 -0.773 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)NC1(C(=O)[O-])CCSCC1 ZINC000262252686 536642495 /nfs/dbraw/zinc/64/24/95/536642495.db2.gz XWUPVQOSWAGYKF-UHFFFAOYSA-N -1 0 354.450 -0.591 20 0 FBADRM CC(=O)NCCN(C(=O)COc1ccc(C(N)=O)cc1)[C@@H](C)C(=O)[O-] ZINC000262253369 534422668 /nfs/dbraw/zinc/42/26/68/534422668.db2.gz QWSUELPQDBBOBQ-JTQLQIEISA-N -1 0 351.359 -0.398 20 0 FBADRM CC(=O)NCCN(C(=O)COc1ccc(C(N)=O)cc1)[C@H](C)C(=O)[O-] ZINC000262253371 534421565 /nfs/dbraw/zinc/42/15/65/534421565.db2.gz QWSUELPQDBBOBQ-SNVBAGLBSA-N -1 0 351.359 -0.398 20 0 FBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)O1 ZINC000262254835 243306556 /nfs/dbraw/zinc/30/65/56/243306556.db2.gz CPRJDIHIXGLOOQ-FVCCEPFGSA-N -1 0 361.416 -0.187 20 0 FBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)O1 ZINC000262254839 243306116 /nfs/dbraw/zinc/30/61/16/243306116.db2.gz CPRJDIHIXGLOOQ-MROQNXINSA-N -1 0 361.416 -0.187 20 0 FBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)O1 ZINC000262254843 243306201 /nfs/dbraw/zinc/30/62/01/243306201.db2.gz CPRJDIHIXGLOOQ-QNWHQSFQSA-N -1 0 361.416 -0.187 20 0 FBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)O1 ZINC000262254848 243305080 /nfs/dbraw/zinc/30/50/80/243305080.db2.gz CPRJDIHIXGLOOQ-ZDEQEGDKSA-N -1 0 361.416 -0.187 20 0 FBADRM O=C([O-])COc1ccc(CCNC(=O)CN2CCCS2(=O)=O)cc1 ZINC000262255375 243305036 /nfs/dbraw/zinc/30/50/36/243305036.db2.gz YEWYZKGBHUZYKM-UHFFFAOYSA-N -1 0 356.400 -0.156 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC(=O)[O-])CC2)cc1C ZINC000262256580 243305044 /nfs/dbraw/zinc/30/50/44/243305044.db2.gz RJYAAKMYLXZENQ-UHFFFAOYSA-N -1 0 369.443 -0.189 20 0 FBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000262258517 243305709 /nfs/dbraw/zinc/30/57/09/243305709.db2.gz WJAHVCWRODGDFX-GFCCVEGCSA-N -1 0 374.459 -0.017 20 0 FBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000262258520 243306627 /nfs/dbraw/zinc/30/66/27/243306627.db2.gz WJAHVCWRODGDFX-LBPRGKRZSA-N -1 0 374.459 -0.017 20 0 FBADRM O=C([O-])CNC(=O)CN1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000262262338 243306566 /nfs/dbraw/zinc/30/65/66/243306566.db2.gz SKKTXULBMWILQH-UHFFFAOYSA-N -1 0 353.350 -0.451 20 0 FBADRM O=C([O-])CNC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000262262390 243305509 /nfs/dbraw/zinc/30/55/09/243305509.db2.gz SMYYTBXLMKWBJK-UHFFFAOYSA-N -1 0 355.416 -0.665 20 0 FBADRM CC(=O)NCCN(C(=O)CCCN1C(=O)NC(C)(C)C1=O)[C@@H](C)C(=O)[O-] ZINC000262262394 534419774 /nfs/dbraw/zinc/41/97/74/534419774.db2.gz SNBCGUWLOWSNRE-JTQLQIEISA-N -1 0 370.406 -0.465 20 0 FBADRM CC(=O)NCCN(C(=O)CCCN1C(=O)NC(C)(C)C1=O)[C@H](C)C(=O)[O-] ZINC000262262396 534420086 /nfs/dbraw/zinc/42/00/86/534420086.db2.gz SNBCGUWLOWSNRE-SNVBAGLBSA-N -1 0 370.406 -0.465 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N(CC(=O)[O-])C1CC1 ZINC000262266317 243308818 /nfs/dbraw/zinc/30/88/18/243308818.db2.gz VNRJDJMYRUCHMK-SECBINFHSA-N -1 0 358.420 -0.221 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(CC(=O)[O-])C1CC1 ZINC000262266319 243307203 /nfs/dbraw/zinc/30/72/03/243307203.db2.gz VNRJDJMYRUCHMK-VIFPVBQESA-N -1 0 358.420 -0.221 20 0 FBADRM CC(=O)NCCN(C(=O)CNC(=O)COc1ccccc1)[C@H](C)C(=O)[O-] ZINC000262266336 534419665 /nfs/dbraw/zinc/41/96/65/534419665.db2.gz TYYHIRFQPQGMEV-GFCCVEGCSA-N -1 0 365.386 -0.381 20 0 FBADRM CC(=O)NCCN(C(=O)CNC(=O)COc1ccccc1)[C@@H](C)C(=O)[O-] ZINC000262266338 534421127 /nfs/dbraw/zinc/42/11/27/534421127.db2.gz TYYHIRFQPQGMEV-LBPRGKRZSA-N -1 0 365.386 -0.381 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC(=O)[O-])CC2)cc1 ZINC000262266445 243307976 /nfs/dbraw/zinc/30/79/76/243307976.db2.gz UBOFOUCYLTVVCC-UHFFFAOYSA-N -1 0 355.416 -0.498 20 0 FBADRM CC(=O)NCCN(C(=O)c1ccc(CNC(N)=O)cc1)[C@@H](C)C(=O)[O-] ZINC000262267735 243307841 /nfs/dbraw/zinc/30/78/41/243307841.db2.gz UCOYTINGOQQSOI-JTQLQIEISA-N -1 0 350.375 -0.094 20 0 FBADRM CC(=O)NCCN(C(=O)c1ccc(CNC(N)=O)cc1)[C@H](C)C(=O)[O-] ZINC000262267736 243308796 /nfs/dbraw/zinc/30/87/96/243308796.db2.gz UCOYTINGOQQSOI-SNVBAGLBSA-N -1 0 350.375 -0.094 20 0 FBADRM COc1ccc([C@H](NC(=O)CCC(=O)NCCNC(C)=O)C(=O)[O-])cc1 ZINC000262268051 536922354 /nfs/dbraw/zinc/92/23/54/536922354.db2.gz ZSQLWONQQJNOEB-INIZCTEOSA-N -1 0 365.386 -0.030 20 0 FBADRM COc1ccc([C@@H](NC(=O)CCC(=O)NCCNC(C)=O)C(=O)[O-])cc1 ZINC000262268055 536888314 /nfs/dbraw/zinc/88/83/14/536888314.db2.gz ZSQLWONQQJNOEB-MRXNPFEDSA-N -1 0 365.386 -0.030 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000262269346 243307521 /nfs/dbraw/zinc/30/75/21/243307521.db2.gz ZWWWIIMPLDOCHX-LKFCYVNXSA-N -1 0 374.419 -0.936 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000262269351 243309045 /nfs/dbraw/zinc/30/90/45/243309045.db2.gz ZWWWIIMPLDOCHX-OTYXRUKQSA-N -1 0 374.419 -0.936 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000262269356 243308648 /nfs/dbraw/zinc/30/86/48/243308648.db2.gz ZWWWIIMPLDOCHX-XPTSAGLGSA-N -1 0 374.419 -0.936 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000262269362 243308754 /nfs/dbraw/zinc/30/87/54/243308754.db2.gz ZWWWIIMPLDOCHX-YMTOWFKASA-N -1 0 374.419 -0.936 20 0 FBADRM C[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000262270708 243308690 /nfs/dbraw/zinc/30/86/90/243308690.db2.gz XYTQMXGUQJJXAP-LLVKDONJSA-N -1 0 368.411 -0.311 20 0 FBADRM C[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000262270709 243307690 /nfs/dbraw/zinc/30/76/90/243307690.db2.gz XYTQMXGUQJJXAP-NSHDSACASA-N -1 0 368.411 -0.311 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)N[C@H](CCOC)C(=O)[O-])cc1 ZINC000262270881 243307729 /nfs/dbraw/zinc/30/77/29/243307729.db2.gz GTLPCQHSJKCWOP-CYBMUJFWSA-N -1 0 374.415 -0.169 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCOC)C(=O)[O-])cc1 ZINC000262270884 243308812 /nfs/dbraw/zinc/30/88/12/243308812.db2.gz GTLPCQHSJKCWOP-ZDUSSCGKSA-N -1 0 374.415 -0.169 20 0 FBADRM O=C([O-])CNC(=O)CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000262275995 243307348 /nfs/dbraw/zinc/30/73/48/243307348.db2.gz VQUWODHLEBLDAT-AWEZNQCLSA-N -1 0 363.370 -0.686 20 0 FBADRM O=C([O-])CNC(=O)CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000262275997 243307083 /nfs/dbraw/zinc/30/70/83/243307083.db2.gz VQUWODHLEBLDAT-CQSZACIVSA-N -1 0 363.370 -0.686 20 0 FBADRM O=C([O-])CCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000262277406 243307091 /nfs/dbraw/zinc/30/70/91/243307091.db2.gz WDJBBJFIPIOPCM-UHFFFAOYSA-N -1 0 355.372 -0.988 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])ccc1OC ZINC000262277932 243308978 /nfs/dbraw/zinc/30/89/78/243308978.db2.gz VAGRVFDVTAOKKI-LLVKDONJSA-N -1 0 372.399 -0.081 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])ccc1OC ZINC000262277934 243307665 /nfs/dbraw/zinc/30/76/65/243307665.db2.gz VAGRVFDVTAOKKI-NSHDSACASA-N -1 0 372.399 -0.081 20 0 FBADRM C[C@@H]1CN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)C[C@@H](C(=O)[O-])O1 ZINC000262278287 243307774 /nfs/dbraw/zinc/30/77/74/243307774.db2.gz XYPYXQYLPGVYTN-MFKMUULPSA-N -1 0 361.354 -0.220 20 0 FBADRM C[C@@H]1CN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)C[C@H](C(=O)[O-])O1 ZINC000262278288 243308163 /nfs/dbraw/zinc/30/81/63/243308163.db2.gz XYPYXQYLPGVYTN-ZWNOBZJWSA-N -1 0 361.354 -0.220 20 0 FBADRM COCCN1C(=O)c2ccc(C(=O)NCCC(=O)[O-])cc2S1(=O)=O ZINC000262278424 243308948 /nfs/dbraw/zinc/30/89/48/243308948.db2.gz WHRWYXGMQBQCSS-UHFFFAOYSA-N -1 0 356.356 -0.318 20 0 FBADRM CC(=O)NCCN(C(=O)Cn1cnc2sccc2c1=O)[C@H](C)C(=O)[O-] ZINC000262282765 534423464 /nfs/dbraw/zinc/42/34/64/534423464.db2.gz WVKYQTOPCLLIMR-SECBINFHSA-N -1 0 366.399 -0.104 20 0 FBADRM CC(=O)NCCN(C(=O)Cn1cnc2sccc2c1=O)[C@@H](C)C(=O)[O-] ZINC000262282766 534422991 /nfs/dbraw/zinc/42/29/91/534422991.db2.gz WVKYQTOPCLLIMR-VIFPVBQESA-N -1 0 366.399 -0.104 20 0 FBADRM CC(=O)NCCN(C(=O)Cn1c2ccccc2n(C)c1=O)[C@H](C)C(=O)[O-] ZINC000262282824 534423898 /nfs/dbraw/zinc/42/38/98/534423898.db2.gz XAMXLVDFXXMVKP-LLVKDONJSA-N -1 0 362.386 -0.222 20 0 FBADRM CC(=O)NCCN(C(=O)Cn1c2ccccc2n(C)c1=O)[C@@H](C)C(=O)[O-] ZINC000262282825 534424356 /nfs/dbraw/zinc/42/43/56/534424356.db2.gz XAMXLVDFXXMVKP-NSHDSACASA-N -1 0 362.386 -0.222 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)o1 ZINC000262284134 243308829 /nfs/dbraw/zinc/30/88/29/243308829.db2.gz XGPOUQMUNOURBK-UHFFFAOYSA-N -1 0 371.371 -0.924 20 0 FBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)NCCS(=O)(=O)N2CCSCC2)O1 ZINC000262287780 243308431 /nfs/dbraw/zinc/30/84/31/243308431.db2.gz KOFAFCYTMUQGEW-VHSXEESVSA-N -1 0 352.434 -0.887 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N[C@@H](CCOC)C(=O)[O-])ccc1OC ZINC000262289658 243308704 /nfs/dbraw/zinc/30/87/04/243308704.db2.gz KXMPXIDHMICJCG-JTQLQIEISA-N -1 0 360.388 -0.177 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N[C@H](CCOC)C(=O)[O-])ccc1OC ZINC000262289660 243308306 /nfs/dbraw/zinc/30/83/06/243308306.db2.gz KXMPXIDHMICJCG-SNVBAGLBSA-N -1 0 360.388 -0.177 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCC(C)(C)C(=O)[O-] ZINC000262290053 243307150 /nfs/dbraw/zinc/30/71/50/243307150.db2.gz YGZCJPCBEVLLOH-SECBINFHSA-N -1 0 360.436 -0.069 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC(C)(C)C(=O)[O-] ZINC000262290056 243307061 /nfs/dbraw/zinc/30/70/61/243307061.db2.gz YGZCJPCBEVLLOH-VIFPVBQESA-N -1 0 360.436 -0.069 20 0 FBADRM CC(=O)NCCN(C(=O)Cc1nn(C)c(=O)c2ccccc12)[C@H](C)C(=O)[O-] ZINC000262291382 534423906 /nfs/dbraw/zinc/42/39/06/534423906.db2.gz YNYCMQHIVVOMEV-LLVKDONJSA-N -1 0 374.397 -0.086 20 0 FBADRM CC(=O)NCCN(C(=O)Cc1nn(C)c(=O)c2ccccc12)[C@@H](C)C(=O)[O-] ZINC000262291384 534424147 /nfs/dbraw/zinc/42/41/47/534424147.db2.gz YNYCMQHIVVOMEV-NSHDSACASA-N -1 0 374.397 -0.086 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)nc2n(C)c1=O ZINC000262291906 243308481 /nfs/dbraw/zinc/30/84/81/243308481.db2.gz XVSXKSLZGVVSLY-XTZNXHDOSA-N -1 0 372.381 -0.041 20 0 FBADRM O=C([O-])c1ccc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000262293852 243307639 /nfs/dbraw/zinc/30/76/39/243307639.db2.gz LVXIOULFIDMGAQ-UHFFFAOYSA-N -1 0 373.365 -0.182 20 0 FBADRM CC(=O)NCCN(C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)[C@H](C)C(=O)[O-] ZINC000262294030 534420039 /nfs/dbraw/zinc/42/00/39/534420039.db2.gz ZFZVYJIFKDRJAM-ABKXIKBNSA-N -1 0 368.390 -0.855 20 0 FBADRM CC(=O)NCCN(C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)[C@@H](C)C(=O)[O-] ZINC000262294035 534420332 /nfs/dbraw/zinc/42/03/32/534420332.db2.gz ZFZVYJIFKDRJAM-FVMDXXJSSA-N -1 0 368.390 -0.855 20 0 FBADRM CC(=O)NCCN(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)[C@H](C)C(=O)[O-] ZINC000262294039 534419875 /nfs/dbraw/zinc/41/98/75/534419875.db2.gz ZFZVYJIFKDRJAM-JDNHERCYSA-N -1 0 368.390 -0.855 20 0 FBADRM CC(=O)NCCN(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)[C@@H](C)C(=O)[O-] ZINC000262294044 534420870 /nfs/dbraw/zinc/42/08/70/534420870.db2.gz ZFZVYJIFKDRJAM-XXFAHNHDSA-N -1 0 368.390 -0.855 20 0 FBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)O1 ZINC000262295799 243308973 /nfs/dbraw/zinc/30/89/73/243308973.db2.gz MIGOEEXLHSYZTB-NWDGAFQWSA-N -1 0 373.387 -0.719 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262297338 243308507 /nfs/dbraw/zinc/30/85/07/243308507.db2.gz YVDPEYVERYBRFM-JRPNMDOOSA-N -1 0 370.431 -0.200 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262297342 243308792 /nfs/dbraw/zinc/30/87/92/243308792.db2.gz YVDPEYVERYBRFM-ZIBATOQPSA-N -1 0 370.431 -0.200 20 0 FBADRM CCNS(=O)(=O)c1ccc(C(=O)NCc2cn(CC(=O)[O-])nn2)cc1 ZINC000262299452 535500605 /nfs/dbraw/zinc/50/06/05/535500605.db2.gz XGLPDILUNVGIJP-UHFFFAOYSA-N -1 0 367.387 -0.409 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C2(C(=O)[O-])CC2)CC1 ZINC000262300082 243307826 /nfs/dbraw/zinc/30/78/26/243307826.db2.gz KHQNAWKZZSFVKB-UHFFFAOYSA-N -1 0 357.388 -0.011 20 0 FBADRM COc1ccc(C(=O)NCC(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000262303645 243307101 /nfs/dbraw/zinc/30/71/01/243307101.db2.gz PWBDSQHJQTUZCZ-UHFFFAOYSA-N -1 0 358.372 -0.470 20 0 FBADRM CCCC[C@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC000262304118 243307404 /nfs/dbraw/zinc/30/74/04/243307404.db2.gz QYLNOUGKBVLOLE-KBPBESRZSA-N -1 0 355.435 -0.073 20 0 FBADRM CCCC[C@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC000262304119 243309029 /nfs/dbraw/zinc/30/90/29/243309029.db2.gz QYLNOUGKBVLOLE-KGLIPLIRSA-N -1 0 355.435 -0.073 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cs1 ZINC000262306230 243310339 /nfs/dbraw/zinc/31/03/39/243310339.db2.gz AXQMAUOBEAXPJX-TVQRCGJNSA-N -1 0 360.413 -0.041 20 0 FBADRM CC(=O)NCCN(C(=O)Cn1cnc2ccccc2c1=O)[C@H](C)C(=O)[O-] ZINC000262306267 534424235 /nfs/dbraw/zinc/42/42/35/534424235.db2.gz RJLQCKRGKDOYND-LLVKDONJSA-N -1 0 360.370 -0.166 20 0 FBADRM CC(=O)NCCN(C(=O)Cn1cnc2ccccc2c1=O)[C@@H](C)C(=O)[O-] ZINC000262306268 534423769 /nfs/dbraw/zinc/42/37/69/534423769.db2.gz RJLQCKRGKDOYND-NSHDSACASA-N -1 0 360.370 -0.166 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C1 ZINC000262307733 243311185 /nfs/dbraw/zinc/31/11/85/243311185.db2.gz AXVWCCLSWJRAAO-DVOMOZLQSA-N -1 0 374.459 -0.002 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C1 ZINC000262307735 243309971 /nfs/dbraw/zinc/30/99/71/243309971.db2.gz AXVWCCLSWJRAAO-HEHGZKQESA-N -1 0 374.459 -0.002 20 0 FBADRM CN(CC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1)S(C)(=O)=O ZINC000262308465 243310603 /nfs/dbraw/zinc/31/06/03/243310603.db2.gz MYZJXCGKERXJTM-UHFFFAOYSA-N -1 0 357.388 -0.279 20 0 FBADRM CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCCC[C@H]2C(=O)[O-])CC1 ZINC000262310660 243310914 /nfs/dbraw/zinc/31/09/14/243310914.db2.gz SLQWPUUFCXNIIX-AWEZNQCLSA-N -1 0 368.478 -0.016 20 0 FBADRM CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000262310662 243310061 /nfs/dbraw/zinc/31/00/61/243310061.db2.gz SLQWPUUFCXNIIX-CQSZACIVSA-N -1 0 368.478 -0.016 20 0 FBADRM Cc1cc(N2CCC[C@@H](NC(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)C2=O)n(C)n1 ZINC000262312251 243311315 /nfs/dbraw/zinc/31/13/15/243311315.db2.gz QAMVPTWHIHJMLR-GRYCIOLGSA-N -1 0 350.375 -0.028 20 0 FBADRM Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)C2=O)n(C)n1 ZINC000262312253 243310441 /nfs/dbraw/zinc/31/04/41/243310441.db2.gz QAMVPTWHIHJMLR-SDDRHHMPSA-N -1 0 350.375 -0.028 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000262312522 243310907 /nfs/dbraw/zinc/31/09/07/243310907.db2.gz OHABGHSSOSJJKE-SECBINFHSA-N -1 0 352.409 -0.573 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000262312524 243309602 /nfs/dbraw/zinc/30/96/02/243309602.db2.gz OHABGHSSOSJJKE-VIFPVBQESA-N -1 0 352.409 -0.573 20 0 FBADRM COCCN(C(=O)CN1CCCC[C@@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000262312840 536693941 /nfs/dbraw/zinc/69/39/41/536693941.db2.gz TVPPTEDYBQNYMQ-CHWSQXEVSA-N -1 0 362.448 -0.412 20 0 FBADRM COCCN(C(=O)CN1CCCC[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000262313715 536693777 /nfs/dbraw/zinc/69/37/77/536693777.db2.gz TVPPTEDYBQNYMQ-OLZOCXBDSA-N -1 0 362.448 -0.412 20 0 FBADRM COCCN(C(=O)CN1CCCC[C@@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000262313717 536694494 /nfs/dbraw/zinc/69/44/94/536694494.db2.gz TVPPTEDYBQNYMQ-QWHCGFSZSA-N -1 0 362.448 -0.412 20 0 FBADRM COCCN(C(=O)CN1CCCC[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000262313719 536693960 /nfs/dbraw/zinc/69/39/60/536693960.db2.gz TVPPTEDYBQNYMQ-STQMWFEESA-N -1 0 362.448 -0.412 20 0 FBADRM Cc1oc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000262314007 243311430 /nfs/dbraw/zinc/31/14/30/243311430.db2.gz BVFRGNARIWNHCQ-LKFCYVNXSA-N -1 0 358.372 -0.201 20 0 FBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)NCCS(=O)(=O)NCc2ccccc2)O1 ZINC000262315149 243311562 /nfs/dbraw/zinc/31/15/62/243311562.db2.gz QOWRYIYLHONIBH-QWHCGFSZSA-N -1 0 356.400 -0.146 20 0 FBADRM CN(CCCNC(=O)CN(CC(=O)[O-])c1ccccc1)S(C)(=O)=O ZINC000262317029 536352461 /nfs/dbraw/zinc/35/24/61/536352461.db2.gz UUAKLGNQKTXWRL-UHFFFAOYSA-N -1 0 357.432 -0.025 20 0 FBADRM CN(CCC(=O)[O-])C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000262318254 243310825 /nfs/dbraw/zinc/31/08/25/243310825.db2.gz PXPHPLFILBKWNJ-UHFFFAOYSA-N -1 0 369.399 -0.646 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)N[C@H](CCOC)C(=O)[O-])c1 ZINC000262320536 243309550 /nfs/dbraw/zinc/30/95/50/243309550.db2.gz RWAVCQVHSRFVIP-CYBMUJFWSA-N -1 0 374.415 -0.169 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCOC)C(=O)[O-])c1 ZINC000262320537 243309951 /nfs/dbraw/zinc/30/99/51/243309951.db2.gz RWAVCQVHSRFVIP-ZDUSSCGKSA-N -1 0 374.415 -0.169 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cn1 ZINC000262324337 243309849 /nfs/dbraw/zinc/30/98/49/243309849.db2.gz DCMPYTPNTXGHQT-DRZSPHRISA-N -1 0 370.431 -0.057 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cn1 ZINC000262324339 243311415 /nfs/dbraw/zinc/31/14/15/243311415.db2.gz DCMPYTPNTXGHQT-RTXFEEFZSA-N -1 0 370.431 -0.057 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cn1 ZINC000262324340 243309903 /nfs/dbraw/zinc/30/99/03/243309903.db2.gz DCMPYTPNTXGHQT-UHTWSYAYSA-N -1 0 370.431 -0.057 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cn1 ZINC000262324342 243311423 /nfs/dbraw/zinc/31/14/23/243311423.db2.gz DCMPYTPNTXGHQT-WXHSDQCUSA-N -1 0 370.431 -0.057 20 0 FBADRM O=C([O-])C1(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000262325286 243310485 /nfs/dbraw/zinc/31/04/85/243310485.db2.gz SYVLBLOIGNWWDM-UHFFFAOYSA-N -1 0 367.383 -0.390 20 0 FBADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000262330626 243311271 /nfs/dbraw/zinc/31/12/71/243311271.db2.gz UWQSHIWWCHYMAU-JTQLQIEISA-N -1 0 354.384 -0.240 20 0 FBADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000262330632 243310810 /nfs/dbraw/zinc/31/08/10/243310810.db2.gz UWQSHIWWCHYMAU-SNVBAGLBSA-N -1 0 354.384 -0.240 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)CN2CCCC[C@H]2C(=O)[O-])cc1 ZINC000262331811 243309661 /nfs/dbraw/zinc/30/96/61/243309661.db2.gz YGVFBNKTHLBRRP-AWEZNQCLSA-N -1 0 369.443 -0.068 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)CN2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000262331813 243311842 /nfs/dbraw/zinc/31/18/42/243311842.db2.gz YGVFBNKTHLBRRP-CQSZACIVSA-N -1 0 369.443 -0.068 20 0 FBADRM CN(CCC(=O)[O-])C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000262334187 243309649 /nfs/dbraw/zinc/30/96/49/243309649.db2.gz WJXYSKYUABRGSC-UHFFFAOYSA-N -1 0 369.399 -0.646 20 0 FBADRM CCN1CCN(CC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)C(=O)C1=O ZINC000262334854 535655422 /nfs/dbraw/zinc/65/54/22/535655422.db2.gz FLTXPCJVIKWAEX-AGIUHOORSA-N -1 0 351.403 -0.079 20 0 FBADRM CCN1CCN(CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C(=O)C1=O ZINC000262334856 535654909 /nfs/dbraw/zinc/65/49/09/535654909.db2.gz FLTXPCJVIKWAEX-AVGNSLFASA-N -1 0 351.403 -0.079 20 0 FBADRM CCN1CCN(CC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])C(=O)C1=O ZINC000262334858 535654464 /nfs/dbraw/zinc/65/44/64/535654464.db2.gz FLTXPCJVIKWAEX-UPJWGTAASA-N -1 0 351.403 -0.079 20 0 FBADRM CCN1CCN(CC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])C(=O)C1=O ZINC000262334861 535655351 /nfs/dbraw/zinc/65/53/51/535655351.db2.gz FLTXPCJVIKWAEX-XQQFMLRXSA-N -1 0 351.403 -0.079 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)CC1 ZINC000262338295 535665850 /nfs/dbraw/zinc/66/58/50/535665850.db2.gz FVKXPYIBSFWAPW-XJKSGUPXSA-N -1 0 374.459 -0.002 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)CCN2CCCS2(=O)=O)cc1 ZINC000262339693 243310193 /nfs/dbraw/zinc/31/01/93/243310193.db2.gz YBQHNKFYKMHAIX-UHFFFAOYSA-N -1 0 369.399 -0.135 20 0 FBADRM C[C@@](O)(CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000262340828 243310309 /nfs/dbraw/zinc/31/03/09/243310309.db2.gz AHKCJDRNYUGAQD-NOZJJQNGSA-N -1 0 362.429 -0.147 20 0 FBADRM C[C@](O)(CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000262340833 243311479 /nfs/dbraw/zinc/31/14/79/243311479.db2.gz AHKCJDRNYUGAQD-RNCFNFMXSA-N -1 0 362.429 -0.147 20 0 FBADRM C[C@@](O)(CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000262340838 243311209 /nfs/dbraw/zinc/31/12/09/243311209.db2.gz AHKCJDRNYUGAQD-TVQRCGJNSA-N -1 0 362.429 -0.147 20 0 FBADRM C[C@](O)(CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000262340848 243311371 /nfs/dbraw/zinc/31/13/71/243311371.db2.gz AHKCJDRNYUGAQD-ZANVPECISA-N -1 0 362.429 -0.147 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000262344304 243313128 /nfs/dbraw/zinc/31/31/28/243313128.db2.gz ADPPTKUMNPTLRQ-SECBINFHSA-N -1 0 350.418 -0.026 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000262344307 243314281 /nfs/dbraw/zinc/31/42/81/243314281.db2.gz ADPPTKUMNPTLRQ-VIFPVBQESA-N -1 0 350.418 -0.026 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])CC1 ZINC000262344871 243313993 /nfs/dbraw/zinc/31/39/93/243313993.db2.gz AEAKHTSXJUIUQM-JTQLQIEISA-N -1 0 364.420 -0.429 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])CC1 ZINC000262344873 243314086 /nfs/dbraw/zinc/31/40/86/243314086.db2.gz AEAKHTSXJUIUQM-SNVBAGLBSA-N -1 0 364.420 -0.429 20 0 FBADRM COc1ccc(C(=O)NCCC(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000262346498 243314488 /nfs/dbraw/zinc/31/44/88/243314488.db2.gz UCTMKMKWQCUELW-UHFFFAOYSA-N -1 0 372.399 -0.079 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc(Cl)cnc1N ZINC000262347414 243314078 /nfs/dbraw/zinc/31/40/78/243314078.db2.gz AJTYCVHASGYIBV-SSDOTTSWSA-N -1 0 364.811 -0.083 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(Cl)cnc1N ZINC000262347415 243313347 /nfs/dbraw/zinc/31/33/47/243313347.db2.gz AJTYCVHASGYIBV-ZETCQYMHSA-N -1 0 364.811 -0.083 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000262348798 243312950 /nfs/dbraw/zinc/31/29/50/243312950.db2.gz ATHKVKUIPPKYGI-AXFHLTTASA-N -1 0 351.425 -0.748 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000262348800 243314269 /nfs/dbraw/zinc/31/42/69/243314269.db2.gz ATHKVKUIPPKYGI-GARJFASQSA-N -1 0 351.425 -0.748 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000262348801 243314317 /nfs/dbraw/zinc/31/43/17/243314317.db2.gz ATHKVKUIPPKYGI-GMTAPVOTSA-N -1 0 351.425 -0.748 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000262348802 243312406 /nfs/dbraw/zinc/31/24/06/243312406.db2.gz ATHKVKUIPPKYGI-OUAUKWLOSA-N -1 0 351.425 -0.748 20 0 FBADRM C[C@](O)(CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000262351396 243314291 /nfs/dbraw/zinc/31/42/91/243314291.db2.gz FFQSQBVEFVVCEM-HNNXBMFYSA-N -1 0 372.399 -0.727 20 0 FBADRM C[C@@](O)(CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000262351397 243313513 /nfs/dbraw/zinc/31/35/13/243313513.db2.gz FFQSQBVEFVVCEM-OAHLLOKOSA-N -1 0 372.399 -0.727 20 0 FBADRM CCCN(CC(=O)[O-])CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000262352331 243313589 /nfs/dbraw/zinc/31/35/89/243313589.db2.gz GBLASRAHTZUGPW-UHFFFAOYSA-N -1 0 356.467 -0.158 20 0 FBADRM CCCN(CC(=O)[O-])C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000262352458 243314176 /nfs/dbraw/zinc/31/41/76/243314176.db2.gz GFMQERMWGIPYSP-UHFFFAOYSA-N -1 0 351.363 -0.853 20 0 FBADRM Cc1c(C(=O)NC[C@](C)(O)C(=O)[O-])nnn1-c1ccc2c(c1)OCCO2 ZINC000262353910 243314243 /nfs/dbraw/zinc/31/42/43/243314243.db2.gz FNPZETHCRWIUPS-INIZCTEOSA-N -1 0 362.342 -0.088 20 0 FBADRM Cc1c(C(=O)NC[C@@](C)(O)C(=O)[O-])nnn1-c1ccc2c(c1)OCCO2 ZINC000262353911 243314326 /nfs/dbraw/zinc/31/43/26/243314326.db2.gz FNPZETHCRWIUPS-MRXNPFEDSA-N -1 0 362.342 -0.088 20 0 FBADRM C[C@](O)(CNC(=O)CNS(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000262358080 243313206 /nfs/dbraw/zinc/31/32/06/243313206.db2.gz GEWSUEZIOWCQOI-JTQLQIEISA-N -1 0 356.809 -0.368 20 0 FBADRM C[C@@](O)(CNC(=O)CNS(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000262358085 243313896 /nfs/dbraw/zinc/31/38/96/243313896.db2.gz GEWSUEZIOWCQOI-SNVBAGLBSA-N -1 0 356.809 -0.368 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)N(CCOC)CC(=O)[O-])c1 ZINC000262358611 243312474 /nfs/dbraw/zinc/31/24/74/243312474.db2.gz CPUJWBAKYGEWBM-UHFFFAOYSA-N -1 0 374.415 -0.216 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000262361010 243314102 /nfs/dbraw/zinc/31/41/02/243314102.db2.gz CRLHCOHQHKRRQV-CMPLNLGQSA-N -1 0 374.419 -0.556 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000262361012 243312909 /nfs/dbraw/zinc/31/29/09/243312909.db2.gz CRLHCOHQHKRRQV-JQWIXIFHSA-N -1 0 374.419 -0.556 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000262361014 243312663 /nfs/dbraw/zinc/31/26/63/243312663.db2.gz CRLHCOHQHKRRQV-PWSUYJOCSA-N -1 0 374.419 -0.556 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000262361016 243314155 /nfs/dbraw/zinc/31/41/55/243314155.db2.gz CRLHCOHQHKRRQV-ZYHUDNBSSA-N -1 0 374.419 -0.556 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-])c1 ZINC000262361078 536327922 /nfs/dbraw/zinc/32/79/22/536327922.db2.gz CSNSBOVNUQDRGC-SECBINFHSA-N -1 0 350.418 -0.064 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C[C@H](C)C(=O)[O-])c1 ZINC000262361080 536327904 /nfs/dbraw/zinc/32/79/04/536327904.db2.gz CSNSBOVNUQDRGC-VIFPVBQESA-N -1 0 350.418 -0.064 20 0 FBADRM O=C([O-])[C@]12CN(C(=O)CS[C@H]3CCS(=O)(=O)C3)C[C@H]1COCC2 ZINC000262363930 243313666 /nfs/dbraw/zinc/31/36/66/243313666.db2.gz IZGKJTALEKFUIT-COPLHBTASA-N -1 0 363.457 -0.144 20 0 FBADRM O=C([O-])[C@]12CN(C(=O)CS[C@@H]3CCS(=O)(=O)C3)C[C@H]1COCC2 ZINC000262363933 243314274 /nfs/dbraw/zinc/31/42/74/243314274.db2.gz IZGKJTALEKFUIT-MISXGVKJSA-N -1 0 363.457 -0.144 20 0 FBADRM O=C([O-])[C@]12CN(C(=O)CNS(=O)(=O)c3cccs3)C[C@H]1COCC2 ZINC000262366142 243313528 /nfs/dbraw/zinc/31/35/28/243313528.db2.gz JKMAVYVASZDKEZ-IINYFYTJSA-N -1 0 374.440 -0.024 20 0 FBADRM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NCC(=O)[O-])s1 ZINC000262367229 243314200 /nfs/dbraw/zinc/31/42/00/243314200.db2.gz DVKTYCWSRUTTMG-UHFFFAOYSA-N -1 0 356.447 -0.407 20 0 FBADRM O=C([O-])[C@]12CN(C(=O)CCn3nc4ccccn4c3=O)C[C@H]1COCC2 ZINC000262369874 243312528 /nfs/dbraw/zinc/31/25/28/243312528.db2.gz JVLBUCHQLGOGMA-YVEFUNNKSA-N -1 0 360.370 -0.164 20 0 FBADRM C[C@H](CC(=O)NC[C@](C)(O)C(=O)[O-])NC1=NS(=O)(=O)c2ccccc21 ZINC000262370473 243312656 /nfs/dbraw/zinc/31/26/56/243312656.db2.gz INTVEXFEAOBTCW-PSLIRLAXSA-N -1 0 369.399 -0.545 20 0 FBADRM C[C@H](CC(=O)NC[C@@](C)(O)C(=O)[O-])NC1=NS(=O)(=O)c2ccccc21 ZINC000262370474 243312191 /nfs/dbraw/zinc/31/21/91/243312191.db2.gz INTVEXFEAOBTCW-RFAUZJTJSA-N -1 0 369.399 -0.545 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000262371935 243314443 /nfs/dbraw/zinc/31/44/43/243314443.db2.gz FPHHHAFAAUWICE-MRVPVSSYSA-N -1 0 370.387 -0.544 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000262371937 243313800 /nfs/dbraw/zinc/31/38/00/243313800.db2.gz FPHHHAFAAUWICE-QMMMGPOBSA-N -1 0 370.387 -0.544 20 0 FBADRM CC(C)(NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)[O-] ZINC000262375536 535232183 /nfs/dbraw/zinc/23/21/83/535232183.db2.gz GCFYGRMPBHTTDT-SECBINFHSA-N -1 0 369.399 -0.334 20 0 FBADRM CC(C)(NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)[O-] ZINC000262375537 535236202 /nfs/dbraw/zinc/23/62/02/535236202.db2.gz GCFYGRMPBHTTDT-VIFPVBQESA-N -1 0 369.399 -0.334 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c[nH]1 ZINC000262378628 243312507 /nfs/dbraw/zinc/31/25/07/243312507.db2.gz GNVURFWPEKYOJA-MRVPVSSYSA-N -1 0 361.376 -0.599 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c[nH]1 ZINC000262378630 243312845 /nfs/dbraw/zinc/31/28/45/243312845.db2.gz GNVURFWPEKYOJA-QMMMGPOBSA-N -1 0 361.376 -0.599 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)N1CCOC(C)(C)C1 ZINC000262379945 243313873 /nfs/dbraw/zinc/31/38/73/243313873.db2.gz GUQCVAXHIRRBHT-JTQLQIEISA-N -1 0 351.425 -0.747 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)N1CCOC(C)(C)C1 ZINC000262379947 243312363 /nfs/dbraw/zinc/31/23/63/243312363.db2.gz GUQCVAXHIRRBHT-SNVBAGLBSA-N -1 0 351.425 -0.747 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000262381002 243312806 /nfs/dbraw/zinc/31/28/06/243312806.db2.gz GZXDHXNNNRHQIM-SRVKXCTJSA-N -1 0 368.477 -0.027 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000262381006 243312956 /nfs/dbraw/zinc/31/29/56/243312956.db2.gz GZXDHXNNNRHQIM-TUAOUCFPSA-N -1 0 368.477 -0.027 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000262381011 243314322 /nfs/dbraw/zinc/31/43/22/243314322.db2.gz GZXDHXNNNRHQIM-UTUOFQBUSA-N -1 0 368.477 -0.027 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000262381016 243312463 /nfs/dbraw/zinc/31/24/63/243312463.db2.gz GZXDHXNNNRHQIM-WOPDTQHZSA-N -1 0 368.477 -0.027 20 0 FBADRM COc1ccc(C(=O)NC[C@](C)(O)C(=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000262384801 243313683 /nfs/dbraw/zinc/31/36/83/243313683.db2.gz LCAXFQJQPJOUPX-HNNXBMFYSA-N -1 0 374.415 -0.053 20 0 FBADRM COc1ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000262384803 243313317 /nfs/dbraw/zinc/31/33/17/243313317.db2.gz LCAXFQJQPJOUPX-OAHLLOKOSA-N -1 0 374.415 -0.053 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N(CCOC)CC(=O)[O-])ccc1OC ZINC000262386820 243312639 /nfs/dbraw/zinc/31/26/39/243312639.db2.gz JOBXPWAYPUDSGL-UHFFFAOYSA-N -1 0 360.388 -0.224 20 0 FBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000262387121 535095376 /nfs/dbraw/zinc/09/53/76/535095376.db2.gz MGGCECMQWXONPN-FIXISWKDSA-N -1 0 362.448 -0.100 20 0 FBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000262387122 535058028 /nfs/dbraw/zinc/05/80/28/535058028.db2.gz MGGCECMQWXONPN-ZIBATOQPSA-N -1 0 362.448 -0.100 20 0 FBADRM O=C([O-])c1cccc(C(=O)NCCS(=O)(=O)N2CCSCC2)n1 ZINC000262387631 243315499 /nfs/dbraw/zinc/31/54/99/243315499.db2.gz JPLQFEZSNXKOCP-UHFFFAOYSA-N -1 0 359.429 -0.112 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000262387674 243315146 /nfs/dbraw/zinc/31/51/46/243315146.db2.gz HZHSOYBRCIDFNQ-SECBINFHSA-N -1 0 357.388 -0.615 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000262387677 243315870 /nfs/dbraw/zinc/31/58/70/243315870.db2.gz HZHSOYBRCIDFNQ-VIFPVBQESA-N -1 0 357.388 -0.615 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000262389113 243314996 /nfs/dbraw/zinc/31/49/96/243314996.db2.gz LTROBLCKFYIGSA-HNNXBMFYSA-N -1 0 373.431 -0.235 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000262389115 243316074 /nfs/dbraw/zinc/31/60/74/243316074.db2.gz LTROBLCKFYIGSA-OAHLLOKOSA-N -1 0 373.431 -0.235 20 0 FBADRM CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000262391454 243315886 /nfs/dbraw/zinc/31/58/86/243315886.db2.gz IPHKCECWHZMFNT-JTQLQIEISA-N -1 0 369.399 -0.380 20 0 FBADRM CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000262391455 243316736 /nfs/dbraw/zinc/31/67/36/243316736.db2.gz IPHKCECWHZMFNT-SNVBAGLBSA-N -1 0 369.399 -0.380 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCC(=O)[O-])c1 ZINC000262391824 536112252 /nfs/dbraw/zinc/11/22/52/536112252.db2.gz AMDMZDYCFXSOGY-UHFFFAOYSA-N -1 0 371.415 -0.412 20 0 FBADRM CN(CCS(=O)(=O)NCCC(=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000262392312 243316343 /nfs/dbraw/zinc/31/63/43/243316343.db2.gz OJFHUWQFHMYARQ-UHFFFAOYSA-N -1 0 368.408 -0.160 20 0 FBADRM C[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)C(=O)N1CCS(=O)(=O)CC1 ZINC000262393251 243316154 /nfs/dbraw/zinc/31/61/54/243316154.db2.gz KUMZOGGSQIUIHW-SECBINFHSA-N -1 0 355.372 -0.845 20 0 FBADRM C[C@H](NC(=O)c1cccc(C(=O)[O-])n1)C(=O)N1CCS(=O)(=O)CC1 ZINC000262393252 243315787 /nfs/dbraw/zinc/31/57/87/243315787.db2.gz KUMZOGGSQIUIHW-VIFPVBQESA-N -1 0 355.372 -0.845 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC000262396994 243316100 /nfs/dbraw/zinc/31/61/00/243316100.db2.gz NCNWDBYLGGVJJK-HNNXBMFYSA-N -1 0 374.415 -0.515 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC000262396996 243316857 /nfs/dbraw/zinc/31/68/57/243316857.db2.gz NCNWDBYLGGVJJK-OAHLLOKOSA-N -1 0 374.415 -0.515 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC000262398685 243316595 /nfs/dbraw/zinc/31/65/95/243316595.db2.gz AFPNZCOSKVVTRV-LLVKDONJSA-N -1 0 368.477 -0.251 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000262398689 243316488 /nfs/dbraw/zinc/31/64/88/243316488.db2.gz AFPNZCOSKVVTRV-NSHDSACASA-N -1 0 368.477 -0.251 20 0 FBADRM CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC(=O)[O-])c(OC)c1 ZINC000262400934 243314919 /nfs/dbraw/zinc/31/49/19/243314919.db2.gz KAAPPAJNPFWPKU-UHFFFAOYSA-N -1 0 352.390 -0.180 20 0 FBADRM O=C([O-])c1coc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000262403392 243315447 /nfs/dbraw/zinc/31/54/47/243315447.db2.gz VPUUPVUNBPWVAW-UHFFFAOYSA-N -1 0 373.387 -0.687 20 0 FBADRM C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)[O-] ZINC000262405856 243315226 /nfs/dbraw/zinc/31/52/26/243315226.db2.gz BPFNVFIMJPPXEK-JTQLQIEISA-N -1 0 369.399 -0.742 20 0 FBADRM C[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)[O-] ZINC000262405857 243316801 /nfs/dbraw/zinc/31/68/01/243316801.db2.gz BPFNVFIMJPPXEK-SNVBAGLBSA-N -1 0 369.399 -0.742 20 0 FBADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)C(=O)N1CCS(=O)(=O)CC1 ZINC000262406456 243316129 /nfs/dbraw/zinc/31/61/29/243316129.db2.gz NGWFPTUDLUYAPJ-MRVPVSSYSA-N -1 0 360.413 -0.178 20 0 FBADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])s1)C(=O)N1CCS(=O)(=O)CC1 ZINC000262406457 243316483 /nfs/dbraw/zinc/31/64/83/243316483.db2.gz NGWFPTUDLUYAPJ-QMMMGPOBSA-N -1 0 360.413 -0.178 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000262406675 243316581 /nfs/dbraw/zinc/31/65/81/243316581.db2.gz AVQWPNLXUZIGKF-CYBMUJFWSA-N -1 0 372.399 -0.463 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000262406676 243316539 /nfs/dbraw/zinc/31/65/39/243316539.db2.gz AVQWPNLXUZIGKF-ZDUSSCGKSA-N -1 0 372.399 -0.463 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)CC1 ZINC000262410299 243316741 /nfs/dbraw/zinc/31/67/41/243316741.db2.gz LIOKTLXPOBUDBR-UHFFFAOYSA-N -1 0 369.465 -0.959 20 0 FBADRM COc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)C(=O)[O-])cc1OC ZINC000262421749 536875896 /nfs/dbraw/zinc/87/58/96/536875896.db2.gz FMHABDHXNYIESJ-SECBINFHSA-N -1 0 360.388 -0.039 20 0 FBADRM CCOc1cc(C(=O)NCCNS(C)(=O)=O)ccc1OCC(=O)[O-] ZINC000262422036 243316806 /nfs/dbraw/zinc/31/68/06/243316806.db2.gz QLZUVGYSVZQHBI-UHFFFAOYSA-N -1 0 360.388 -0.172 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000262423195 243315470 /nfs/dbraw/zinc/31/54/70/243315470.db2.gz GLYJLHZANSSYHV-DTWKUNHWSA-N -1 0 357.388 -0.099 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000262423196 243316258 /nfs/dbraw/zinc/31/62/58/243316258.db2.gz GLYJLHZANSSYHV-RKDXNWHRSA-N -1 0 357.388 -0.099 20 0 FBADRM CN(CC(=O)NC[C@@](C)(O)C(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000262423370 243315552 /nfs/dbraw/zinc/31/55/52/243315552.db2.gz AXLURVVPVNFXIJ-CYBMUJFWSA-N -1 0 364.807 -0.088 20 0 FBADRM CN(CC(=O)NC[C@](C)(O)C(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000262423376 243315299 /nfs/dbraw/zinc/31/52/99/243315299.db2.gz AXLURVVPVNFXIJ-ZDUSSCGKSA-N -1 0 364.807 -0.088 20 0 FBADRM C[C@H](CN(C)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000262423564 243316037 /nfs/dbraw/zinc/31/60/37/243316037.db2.gz NJCOPUYPZCYQQT-SSDOTTSWSA-N -1 0 356.360 -0.625 20 0 FBADRM C[C@@H](CN(C)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000262423565 243316452 /nfs/dbraw/zinc/31/64/52/243316452.db2.gz NJCOPUYPZCYQQT-ZETCQYMHSA-N -1 0 356.360 -0.625 20 0 FBADRM C[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000262423946 243316391 /nfs/dbraw/zinc/31/63/91/243316391.db2.gz QUKCDOUHUXNXAF-SECBINFHSA-N -1 0 355.372 -0.845 20 0 FBADRM C[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000262423948 243316121 /nfs/dbraw/zinc/31/61/21/243316121.db2.gz QUKCDOUHUXNXAF-VIFPVBQESA-N -1 0 355.372 -0.845 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262426644 243315778 /nfs/dbraw/zinc/31/57/78/243315778.db2.gz HUVIWABSJMHMPT-SECBINFHSA-N -1 0 358.372 -0.342 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262426647 243314832 /nfs/dbraw/zinc/31/48/32/243314832.db2.gz HUVIWABSJMHMPT-VIFPVBQESA-N -1 0 358.372 -0.342 20 0 FBADRM CCCC[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000262427072 243316827 /nfs/dbraw/zinc/31/68/27/243316827.db2.gz CVGFJSDSADUILJ-JTQLQIEISA-N -1 0 357.454 -0.959 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000262427268 243316468 /nfs/dbraw/zinc/31/64/68/243316468.db2.gz DJTZRUYXBYVZFZ-GXSJLCMTSA-N -1 0 374.419 -0.984 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000262427269 243316625 /nfs/dbraw/zinc/31/66/25/243316625.db2.gz DJTZRUYXBYVZFZ-KOLCDFICSA-N -1 0 374.419 -0.984 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000262427270 243315488 /nfs/dbraw/zinc/31/54/88/243315488.db2.gz DJTZRUYXBYVZFZ-MWLCHTKSSA-N -1 0 374.419 -0.984 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000262427271 243315505 /nfs/dbraw/zinc/31/55/05/243315505.db2.gz DJTZRUYXBYVZFZ-ONGXEEELSA-N -1 0 374.419 -0.984 20 0 FBADRM COc1ccc(S(=O)(=O)NCCC(=O)N(C)CC(=O)[O-])cc1OC ZINC000262427710 536873730 /nfs/dbraw/zinc/87/37/30/536873730.db2.gz LXGWCGORLDPUKD-UHFFFAOYSA-N -1 0 360.388 -0.085 20 0 FBADRM C[C@](O)(CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)C(=O)[O-] ZINC000262428712 243315288 /nfs/dbraw/zinc/31/52/88/243315288.db2.gz SCTIOIVHFQMOIL-HNNXBMFYSA-N -1 0 356.400 -0.036 20 0 FBADRM C[C@@](O)(CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)C(=O)[O-] ZINC000262428714 243316819 /nfs/dbraw/zinc/31/68/19/243316819.db2.gz SCTIOIVHFQMOIL-OAHLLOKOSA-N -1 0 356.400 -0.036 20 0 FBADRM Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000262436240 243317573 /nfs/dbraw/zinc/31/75/73/243317573.db2.gz CFFDCNMKWPUMOX-DOMZBBRYSA-N -1 0 351.338 -0.144 20 0 FBADRM Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000262436241 243318136 /nfs/dbraw/zinc/31/81/36/243318136.db2.gz CFFDCNMKWPUMOX-IUODEOHRSA-N -1 0 351.338 -0.144 20 0 FBADRM Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000262436242 243317961 /nfs/dbraw/zinc/31/79/61/243317961.db2.gz CFFDCNMKWPUMOX-SWLSCSKDSA-N -1 0 351.338 -0.144 20 0 FBADRM Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000262436243 243319740 /nfs/dbraw/zinc/31/97/40/243319740.db2.gz CFFDCNMKWPUMOX-WFASDCNBSA-N -1 0 351.338 -0.144 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])ccc1OC ZINC000262436296 243319437 /nfs/dbraw/zinc/31/94/37/243319437.db2.gz FLDMWDJXMURSHD-JTQLQIEISA-N -1 0 358.372 -0.471 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1OC ZINC000262436300 243318143 /nfs/dbraw/zinc/31/81/43/243318143.db2.gz FLDMWDJXMURSHD-SNVBAGLBSA-N -1 0 358.372 -0.471 20 0 FBADRM C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)[O-] ZINC000262436800 243319399 /nfs/dbraw/zinc/31/93/99/243319399.db2.gz LQOJGGXGYNHZLS-SECBINFHSA-N -1 0 357.388 -0.627 20 0 FBADRM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N[C@H](C)C(=O)[O-])s1 ZINC000262437559 243318116 /nfs/dbraw/zinc/31/81/16/243318116.db2.gz PJALOUTVAXGNRX-MRVPVSSYSA-N -1 0 370.474 -0.019 20 0 FBADRM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])s1 ZINC000262437561 243318615 /nfs/dbraw/zinc/31/86/15/243318615.db2.gz PJALOUTVAXGNRX-QMMMGPOBSA-N -1 0 370.474 -0.019 20 0 FBADRM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NCCC(=O)[O-])s1 ZINC000262438667 243317387 /nfs/dbraw/zinc/31/73/87/243317387.db2.gz PNBKAHAHAIPGKM-UHFFFAOYSA-N -1 0 370.474 -0.017 20 0 FBADRM C[C@@](O)(CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)[O-] ZINC000262439964 243319371 /nfs/dbraw/zinc/31/93/71/243319371.db2.gz ULLLWRHXJZTQIL-BMLIUANNSA-N -1 0 364.354 -0.238 20 0 FBADRM C[C@](O)(CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)[O-] ZINC000262439966 243319661 /nfs/dbraw/zinc/31/96/61/243319661.db2.gz ULLLWRHXJZTQIL-BTDLBPIBSA-N -1 0 364.354 -0.238 20 0 FBADRM C[C@@](O)(CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)[O-] ZINC000262439968 243319107 /nfs/dbraw/zinc/31/91/07/243319107.db2.gz ULLLWRHXJZTQIL-DYZYQPBXSA-N -1 0 364.354 -0.238 20 0 FBADRM C[C@](O)(CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)[O-] ZINC000262439971 243318514 /nfs/dbraw/zinc/31/85/14/243318514.db2.gz ULLLWRHXJZTQIL-QGHHPUGFSA-N -1 0 364.354 -0.238 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CCC(=O)[O-])cc1C ZINC000262440364 243317924 /nfs/dbraw/zinc/31/79/24/243317924.db2.gz HJJHIOFVVOBOHU-UHFFFAOYSA-N -1 0 350.418 -0.002 20 0 FBADRM O=C([O-])c1cc(C(=O)NCCS(=O)(=O)N2CCSCC2)ccn1 ZINC000262441918 243317874 /nfs/dbraw/zinc/31/78/74/243317874.db2.gz URUDMGYVLVWTAJ-UHFFFAOYSA-N -1 0 359.429 -0.112 20 0 FBADRM CCN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000262442650 243317633 /nfs/dbraw/zinc/31/76/33/243317633.db2.gz PXGQYNCSNOTGLK-UHFFFAOYSA-N -1 0 369.399 -0.646 20 0 FBADRM COc1ccc(C(=O)NC[C@](C)(O)C(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000262443264 243317375 /nfs/dbraw/zinc/31/73/75/243317375.db2.gz CYHBYJRHLKVMBJ-AWEZNQCLSA-N -1 0 360.388 -0.489 20 0 FBADRM COc1ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000262443269 243317623 /nfs/dbraw/zinc/31/76/23/243317623.db2.gz CYHBYJRHLKVMBJ-CQSZACIVSA-N -1 0 360.388 -0.489 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000262444176 243317663 /nfs/dbraw/zinc/31/76/63/243317663.db2.gz QFORAKLZTBWRIG-JTQLQIEISA-N -1 0 371.415 -0.306 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000262444178 243319635 /nfs/dbraw/zinc/31/96/35/243319635.db2.gz QFORAKLZTBWRIG-SNVBAGLBSA-N -1 0 371.415 -0.306 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])o1 ZINC000262445420 243318595 /nfs/dbraw/zinc/31/85/95/243318595.db2.gz QHBVFDBMLVIAGF-MRVPVSSYSA-N -1 0 362.360 -0.334 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])o1 ZINC000262445423 243319650 /nfs/dbraw/zinc/31/96/50/243319650.db2.gz QHBVFDBMLVIAGF-QMMMGPOBSA-N -1 0 362.360 -0.334 20 0 FBADRM CN(CC(=O)NC[C@](C)(O)C(=O)[O-])C1=NS(=O)(=O)c2ccccc21 ZINC000262447193 243317485 /nfs/dbraw/zinc/31/74/85/243317485.db2.gz VLSHYXYZCNOVDG-AWEZNQCLSA-N -1 0 355.372 -0.981 20 0 FBADRM CN(CC(=O)NC[C@@](C)(O)C(=O)[O-])C1=NS(=O)(=O)c2ccccc21 ZINC000262447194 243317699 /nfs/dbraw/zinc/31/76/99/243317699.db2.gz VLSHYXYZCNOVDG-CQSZACIVSA-N -1 0 355.372 -0.981 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CCO1 ZINC000262447202 243319091 /nfs/dbraw/zinc/31/90/91/243319091.db2.gz PMYHIQIICUZCDP-LLVKDONJSA-N -1 0 355.372 -0.814 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CCO1 ZINC000262447203 243319113 /nfs/dbraw/zinc/31/91/13/243319113.db2.gz PMYHIQIICUZCDP-NSHDSACASA-N -1 0 355.372 -0.814 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cc1 ZINC000262448257 243319656 /nfs/dbraw/zinc/31/96/56/243319656.db2.gz QRUZSYQTAZBLOA-JTQLQIEISA-N -1 0 371.415 -0.354 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cc1 ZINC000262448258 243318881 /nfs/dbraw/zinc/31/88/81/243318881.db2.gz QRUZSYQTAZBLOA-SNVBAGLBSA-N -1 0 371.415 -0.354 20 0 FBADRM O=C([O-])CC1(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CCOCC1 ZINC000262452062 243319099 /nfs/dbraw/zinc/31/90/99/243319099.db2.gz HKDARSZUOLBPGU-UHFFFAOYSA-N -1 0 369.399 -0.376 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)N(C)CC(=O)[O-])cc1 ZINC000262452244 243319459 /nfs/dbraw/zinc/31/94/59/243319459.db2.gz PMXDAPUNHFTWLA-SECBINFHSA-N -1 0 357.388 -0.145 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)CC(=O)[O-])cc1 ZINC000262452246 243318484 /nfs/dbraw/zinc/31/84/84/243318484.db2.gz PMXDAPUNHFTWLA-VIFPVBQESA-N -1 0 357.388 -0.145 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])cc1C ZINC000262452539 243319120 /nfs/dbraw/zinc/31/91/20/243319120.db2.gz KBLXCQCMICEGIZ-SECBINFHSA-N -1 0 350.418 -0.003 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])cc1C ZINC000262452542 243319368 /nfs/dbraw/zinc/31/93/68/243319368.db2.gz KBLXCQCMICEGIZ-VIFPVBQESA-N -1 0 350.418 -0.003 20 0 FBADRM C[C@](O)(CNC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000262452913 243317981 /nfs/dbraw/zinc/31/79/81/243317981.db2.gz WIFMZLOOJGQKAL-HNNXBMFYSA-N -1 0 369.399 -0.543 20 0 FBADRM C[C@@](O)(CNC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000262452914 243318801 /nfs/dbraw/zinc/31/88/01/243318801.db2.gz WIFMZLOOJGQKAL-OAHLLOKOSA-N -1 0 369.399 -0.543 20 0 FBADRM C[C@](O)(CNC(=O)c1cnn(CC(=O)NC2CCCCC2)c1)C(=O)[O-] ZINC000262453920 243319823 /nfs/dbraw/zinc/31/98/23/243319823.db2.gz WLKFXIRBAFXALZ-INIZCTEOSA-N -1 0 352.391 -0.103 20 0 FBADRM C[C@@](O)(CNC(=O)c1cnn(CC(=O)NC2CCCCC2)c1)C(=O)[O-] ZINC000262453921 243319696 /nfs/dbraw/zinc/31/96/96/243319696.db2.gz WLKFXIRBAFXALZ-MRXNPFEDSA-N -1 0 352.391 -0.103 20 0 FBADRM C[C@](O)(CNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)C(=O)[O-] ZINC000262454009 243318837 /nfs/dbraw/zinc/31/88/37/243318837.db2.gz FDAJVOFTHCQTDA-DLBZAZTESA-N -1 0 361.354 -0.668 20 0 FBADRM C[C@@](O)(CNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)C(=O)[O-] ZINC000262454015 243318195 /nfs/dbraw/zinc/31/81/95/243318195.db2.gz FDAJVOFTHCQTDA-IAGOWNOFSA-N -1 0 361.354 -0.668 20 0 FBADRM C[C@](O)(CNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)C(=O)[O-] ZINC000262454023 243319085 /nfs/dbraw/zinc/31/90/85/243319085.db2.gz FDAJVOFTHCQTDA-IRXDYDNUSA-N -1 0 361.354 -0.668 20 0 FBADRM C[C@@](O)(CNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)C(=O)[O-] ZINC000262454029 243318290 /nfs/dbraw/zinc/31/82/90/243318290.db2.gz FDAJVOFTHCQTDA-SJORKVTESA-N -1 0 361.354 -0.668 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)N(CCOC)CC(=O)[O-])cc1 ZINC000262454540 243319468 /nfs/dbraw/zinc/31/94/68/243319468.db2.gz XBHKBTKNCIERIT-UHFFFAOYSA-N -1 0 374.415 -0.216 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC000262455205 243318556 /nfs/dbraw/zinc/31/85/56/243318556.db2.gz VEHOVIJXTXFXOD-SRVKXCTJSA-N -1 0 370.431 -0.057 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000262455208 243319314 /nfs/dbraw/zinc/31/93/14/243319314.db2.gz VEHOVIJXTXFXOD-TUAOUCFPSA-N -1 0 370.431 -0.057 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC000262455209 243319610 /nfs/dbraw/zinc/31/96/10/243319610.db2.gz VEHOVIJXTXFXOD-UTUOFQBUSA-N -1 0 370.431 -0.057 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1 ZINC000262455210 243318541 /nfs/dbraw/zinc/31/85/41/243318541.db2.gz VEHOVIJXTXFXOD-WOPDTQHZSA-N -1 0 370.431 -0.057 20 0 FBADRM C[C@](O)(CNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)C(=O)[O-] ZINC000262457582 243318604 /nfs/dbraw/zinc/31/86/04/243318604.db2.gz WZEVLANHSSHWMS-KRWDZBQOSA-N -1 0 361.354 -0.990 20 0 FBADRM C[C@@](O)(CNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)C(=O)[O-] ZINC000262457583 243317786 /nfs/dbraw/zinc/31/77/86/243317786.db2.gz WZEVLANHSSHWMS-QGZVFWFLSA-N -1 0 361.354 -0.990 20 0 FBADRM CC1CCC(NS(=O)(=O)CC(=O)N2CCC(O)(C(=O)[O-])CC2)CC1 ZINC000262457696 243317520 /nfs/dbraw/zinc/31/75/20/243317520.db2.gz HZXYTOWFNRZQPT-UHFFFAOYSA-N -1 0 362.448 -0.077 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000262458124 243318932 /nfs/dbraw/zinc/31/89/32/243318932.db2.gz IWUJVVZWPDIGKQ-MRVPVSSYSA-N -1 0 368.362 -0.252 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000262458125 243319191 /nfs/dbraw/zinc/31/91/91/243319191.db2.gz IWUJVVZWPDIGKQ-QMMMGPOBSA-N -1 0 368.362 -0.252 20 0 FBADRM Cc1oc(C(=O)NC[C@](C)(O)C(=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000262460642 243317498 /nfs/dbraw/zinc/31/74/98/243317498.db2.gz FUCIAFSEZFMZJE-AWEZNQCLSA-N -1 0 360.388 -0.062 20 0 FBADRM Cc1oc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000262460643 243318763 /nfs/dbraw/zinc/31/87/63/243318763.db2.gz FUCIAFSEZFMZJE-CQSZACIVSA-N -1 0 360.388 -0.062 20 0 FBADRM CC(C)C[C@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000262462546 243319026 /nfs/dbraw/zinc/31/90/26/243319026.db2.gz MURZKUZMZNQTJL-LLVKDONJSA-N -1 0 371.481 -0.855 20 0 FBADRM CC(C)C[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000262462551 243317707 /nfs/dbraw/zinc/31/77/07/243317707.db2.gz MURZKUZMZNQTJL-NSHDSACASA-N -1 0 371.481 -0.855 20 0 FBADRM CCN1C(=O)c2ccc(C(=O)NC[C@](C)(O)C(=O)[O-])cc2S1(=O)=O ZINC000262463166 243317940 /nfs/dbraw/zinc/31/79/40/243317940.db2.gz FZVAUSDXFOKBTA-AWEZNQCLSA-N -1 0 356.356 -0.584 20 0 FBADRM CCN1C(=O)c2ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc2S1(=O)=O ZINC000262463171 243317863 /nfs/dbraw/zinc/31/78/63/243317863.db2.gz FZVAUSDXFOKBTA-CQSZACIVSA-N -1 0 356.356 -0.584 20 0 FBADRM CCCN(CC(=O)[O-])S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000262463738 535282319 /nfs/dbraw/zinc/28/23/19/535282319.db2.gz SROMCTCMEYYNCS-UHFFFAOYSA-N -1 0 356.360 -0.481 20 0 FBADRM O=C([O-])C1(O)CCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000262464778 243317506 /nfs/dbraw/zinc/31/75/06/243317506.db2.gz ITNJRLFXYHBRQQ-UHFFFAOYSA-N -1 0 374.390 -0.068 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000262466523 243319176 /nfs/dbraw/zinc/31/91/76/243319176.db2.gz GHYWOHAZJNZJHU-AMIZOPFISA-N -1 0 364.807 -0.041 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000262466529 243318781 /nfs/dbraw/zinc/31/87/81/243318781.db2.gz GHYWOHAZJNZJHU-ISVAXAHUSA-N -1 0 364.807 -0.041 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000262466536 243319524 /nfs/dbraw/zinc/31/95/24/243319524.db2.gz GHYWOHAZJNZJHU-OQPBUACISA-N -1 0 364.807 -0.041 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000262466546 243319642 /nfs/dbraw/zinc/31/96/42/243319642.db2.gz GHYWOHAZJNZJHU-SDBXPKJASA-N -1 0 364.807 -0.041 20 0 FBADRM C[C@@](O)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000262467250 243319555 /nfs/dbraw/zinc/31/95/55/243319555.db2.gz GLKHVGPXHUZYGJ-APPDUMDISA-N -1 0 364.354 -0.028 20 0 FBADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)C(=O)N1CCS(=O)(=O)CC1 ZINC000262467373 243319734 /nfs/dbraw/zinc/31/97/34/243319734.db2.gz WNFPRDXLCVGGCM-SECBINFHSA-N -1 0 372.374 -0.101 20 0 FBADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1F)C(=O)N1CCS(=O)(=O)CC1 ZINC000262467374 243317554 /nfs/dbraw/zinc/31/75/54/243317554.db2.gz WNFPRDXLCVGGCM-VIFPVBQESA-N -1 0 372.374 -0.101 20 0 FBADRM Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@](C)(O)C(=O)[O-])C2=O)cc1 ZINC000262467821 243318732 /nfs/dbraw/zinc/31/87/32/243318732.db2.gz YNAMBULGGDLUJB-DLBZAZTESA-N -1 0 363.370 -0.286 20 0 FBADRM Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@](C)(O)C(=O)[O-])C2=O)cc1 ZINC000262467822 243319183 /nfs/dbraw/zinc/31/91/83/243319183.db2.gz YNAMBULGGDLUJB-IAGOWNOFSA-N -1 0 363.370 -0.286 20 0 FBADRM Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@](C)(O)C(=O)[O-])C2=O)cc1 ZINC000262467823 243317812 /nfs/dbraw/zinc/31/78/12/243317812.db2.gz YNAMBULGGDLUJB-IRXDYDNUSA-N -1 0 363.370 -0.286 20 0 FBADRM Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@](C)(O)C(=O)[O-])C2=O)cc1 ZINC000262467824 243319706 /nfs/dbraw/zinc/31/97/06/243319706.db2.gz YNAMBULGGDLUJB-SJORKVTESA-N -1 0 363.370 -0.286 20 0 FBADRM C[C@](O)(CNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000262468246 243319567 /nfs/dbraw/zinc/31/95/67/243319567.db2.gz GLKHVGPXHUZYGJ-DIFFPNOSSA-N -1 0 364.354 -0.028 20 0 FBADRM C[C@](O)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000262468253 243318223 /nfs/dbraw/zinc/31/82/23/243318223.db2.gz GLKHVGPXHUZYGJ-GTNSWQLSSA-N -1 0 364.354 -0.028 20 0 FBADRM C[C@@](O)(CNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000262468263 243317456 /nfs/dbraw/zinc/31/74/56/243317456.db2.gz GLKHVGPXHUZYGJ-PIGZYNQJSA-N -1 0 364.354 -0.028 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000262468772 534324231 /nfs/dbraw/zinc/32/42/31/534324231.db2.gz WRRJXJZCZQKOOK-UHFFFAOYSA-N -1 0 351.359 -0.639 20 0 FBADRM CC(C)[C@@H](C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)N1CCCS1(=O)=O ZINC000262468774 243318576 /nfs/dbraw/zinc/31/85/76/243318576.db2.gz WRYCBTQATBITCQ-HEHGZKQESA-N -1 0 374.459 -0.004 20 0 FBADRM CC(C)[C@H](C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)N1CCCS1(=O)=O ZINC000262468775 535323827 /nfs/dbraw/zinc/32/38/27/535323827.db2.gz WRYCBTQATBITCQ-WOSRLPQWSA-N -1 0 374.459 -0.004 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cccc2nonc21 ZINC000262469153 243318609 /nfs/dbraw/zinc/31/86/09/243318609.db2.gz UEVJSQMCSSRUMK-MRVPVSSYSA-N -1 0 356.360 -0.177 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cccc2nonc21 ZINC000262469155 243318843 /nfs/dbraw/zinc/31/88/43/243318843.db2.gz UEVJSQMCSSRUMK-QMMMGPOBSA-N -1 0 356.360 -0.177 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cn1 ZINC000262470703 243318570 /nfs/dbraw/zinc/31/85/70/243318570.db2.gz UKNXZLFKVMYXPX-SECBINFHSA-N -1 0 373.387 -0.532 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cn1 ZINC000262470705 243318172 /nfs/dbraw/zinc/31/81/72/243318172.db2.gz UKNXZLFKVMYXPX-VIFPVBQESA-N -1 0 373.387 -0.532 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000262470737 243319430 /nfs/dbraw/zinc/31/94/30/243319430.db2.gz ULGVWJYQGUYFRW-SECBINFHSA-N -1 0 357.388 -0.615 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000262470739 243319486 /nfs/dbraw/zinc/31/94/86/243319486.db2.gz ULGVWJYQGUYFRW-VIFPVBQESA-N -1 0 357.388 -0.615 20 0 FBADRM C[C@@](O)(CNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)[O-] ZINC000262477273 243317587 /nfs/dbraw/zinc/31/75/87/243317587.db2.gz ZWSRBAAQFKKEGZ-APPDUMDISA-N -1 0 364.354 -0.238 20 0 FBADRM C[C@](O)(CNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)[O-] ZINC000262477275 243319496 /nfs/dbraw/zinc/31/94/96/243319496.db2.gz ZWSRBAAQFKKEGZ-DIFFPNOSSA-N -1 0 364.354 -0.238 20 0 FBADRM C[C@](O)(CNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)[O-] ZINC000262477279 243317563 /nfs/dbraw/zinc/31/75/63/243317563.db2.gz ZWSRBAAQFKKEGZ-GTNSWQLSSA-N -1 0 364.354 -0.238 20 0 FBADRM C[C@@](O)(CNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)[O-] ZINC000262477281 243317719 /nfs/dbraw/zinc/31/77/19/243317719.db2.gz ZWSRBAAQFKKEGZ-PIGZYNQJSA-N -1 0 364.354 -0.238 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000262479097 243318908 /nfs/dbraw/zinc/31/89/08/243318908.db2.gz VOPZQXPNUWZEBW-MRVPVSSYSA-N -1 0 371.371 -0.279 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000262479098 243319307 /nfs/dbraw/zinc/31/93/07/243319307.db2.gz VOPZQXPNUWZEBW-QMMMGPOBSA-N -1 0 371.371 -0.279 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)o1 ZINC000262480836 243321974 /nfs/dbraw/zinc/32/19/74/243321974.db2.gz XZXOJXCHTSYLBL-LKFCYVNXSA-N -1 0 358.372 -0.249 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000262481112 243321636 /nfs/dbraw/zinc/32/16/36/243321636.db2.gz DMZZBBCMADUPHB-UHFFFAOYSA-N -1 0 366.436 -0.529 20 0 FBADRM COCCn1cc(S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cn1 ZINC000262481559 243321223 /nfs/dbraw/zinc/32/12/23/243321223.db2.gz VUYMMGSJNAOGSC-JTQLQIEISA-N -1 0 362.408 -0.871 20 0 FBADRM COCCn1cc(S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cn1 ZINC000262481563 243321836 /nfs/dbraw/zinc/32/18/36/243321836.db2.gz VUYMMGSJNAOGSC-SNVBAGLBSA-N -1 0 362.408 -0.871 20 0 FBADRM CN(CC(=O)[O-])C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000262482810 243322111 /nfs/dbraw/zinc/32/21/11/243322111.db2.gz UXZAEHUNZVRBIE-UHFFFAOYSA-N -1 0 357.388 -0.673 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000262484812 243320800 /nfs/dbraw/zinc/32/08/00/243320800.db2.gz DZTXCWLDVDQFQI-PSASIEDQSA-N -1 0 361.376 -0.730 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000262484814 243322093 /nfs/dbraw/zinc/32/20/93/243322093.db2.gz DZTXCWLDVDQFQI-SCZZXKLOSA-N -1 0 361.376 -0.730 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000262484817 243320178 /nfs/dbraw/zinc/32/01/78/243320178.db2.gz DZTXCWLDVDQFQI-WCBMZHEXSA-N -1 0 361.376 -0.730 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000262484821 243321909 /nfs/dbraw/zinc/32/19/09/243321909.db2.gz DZTXCWLDVDQFQI-WPRPVWTQSA-N -1 0 361.376 -0.730 20 0 FBADRM CC(C)N(CC(=O)[O-])S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000262485953 535041508 /nfs/dbraw/zinc/04/15/08/535041508.db2.gz WPGWBBVINDUOAD-UHFFFAOYSA-N -1 0 356.360 -0.482 20 0 FBADRM COc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)C(=O)[O-])cc1OC ZINC000262487304 536876022 /nfs/dbraw/zinc/87/60/22/536876022.db2.gz FMHABDHXNYIESJ-VIFPVBQESA-N -1 0 360.388 -0.039 20 0 FBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000262487343 243321250 /nfs/dbraw/zinc/32/12/50/243321250.db2.gz FNXBQKKLQZXKEI-LLVKDONJSA-N -1 0 371.440 -0.097 20 0 FBADRM O=C([O-])C[C@H]1CSCCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000262487344 243321009 /nfs/dbraw/zinc/32/10/09/243321009.db2.gz FNXBQKKLQZXKEI-NSHDSACASA-N -1 0 371.440 -0.097 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000262492103 243322181 /nfs/dbraw/zinc/32/21/81/243322181.db2.gz GLYJLHZANSSYHV-BDAKNGLRSA-N -1 0 357.388 -0.099 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000262492105 243321731 /nfs/dbraw/zinc/32/17/31/243321731.db2.gz GLYJLHZANSSYHV-IUCAKERBSA-N -1 0 357.388 -0.099 20 0 FBADRM CN(CC(=O)N1CCC(O)(C(=O)[O-])CC1)S(=O)(=O)c1ccccc1 ZINC000262493618 243320375 /nfs/dbraw/zinc/32/03/75/243320375.db2.gz MJNQURTXHVONCY-UHFFFAOYSA-N -1 0 356.400 -0.255 20 0 FBADRM NCC(F)(F)C[N-]S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000262494084 243321759 /nfs/dbraw/zinc/32/17/59/243321759.db2.gz YQNFQYSCDHUOPH-UHFFFAOYSA-N -1 0 357.404 -0.522 20 0 FBADRM C[C@H](CN(C)S(=O)(=O)CCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000262495492 243322039 /nfs/dbraw/zinc/32/20/39/243322039.db2.gz YFDRHXSOUJGDBE-LLVKDONJSA-N -1 0 364.445 -0.053 20 0 FBADRM C[C@@H](CN(C)S(=O)(=O)CCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000262495493 243321185 /nfs/dbraw/zinc/32/11/85/243321185.db2.gz YFDRHXSOUJGDBE-NSHDSACASA-N -1 0 364.445 -0.053 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000262495917 243321568 /nfs/dbraw/zinc/32/15/68/243321568.db2.gz MSPSRFQRDQLKFX-SECBINFHSA-N -1 0 362.429 -0.147 20 0 FBADRM C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000262495918 243320293 /nfs/dbraw/zinc/32/02/93/243320293.db2.gz MSPSRFQRDQLKFX-VIFPVBQESA-N -1 0 362.429 -0.147 20 0 FBADRM CCCCS(=O)(=O)N1CCC(C(=O)NC[C@](C)(O)C(=O)[O-])CC1 ZINC000262499647 243321489 /nfs/dbraw/zinc/32/14/89/243321489.db2.gz KMUHKIBIIQOWPD-AWEZNQCLSA-N -1 0 350.437 -0.220 20 0 FBADRM CCCCS(=O)(=O)N1CCC(C(=O)NC[C@@](C)(O)C(=O)[O-])CC1 ZINC000262499652 243321065 /nfs/dbraw/zinc/32/10/65/243321065.db2.gz KMUHKIBIIQOWPD-CQSZACIVSA-N -1 0 350.437 -0.220 20 0 FBADRM CCCC[C@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000262502323 535065852 /nfs/dbraw/zinc/06/58/52/535065852.db2.gz YVSDUOIJYBARJH-JTQLQIEISA-N -1 0 370.387 -0.044 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)NC[C@](C)(O)C(=O)[O-])cc1 ZINC000262502473 243321697 /nfs/dbraw/zinc/32/16/97/243321697.db2.gz KUGQOQYSNAIDFS-AWEZNQCLSA-N -1 0 360.388 -0.823 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc1 ZINC000262502474 243321480 /nfs/dbraw/zinc/32/14/80/243321480.db2.gz KUGQOQYSNAIDFS-CQSZACIVSA-N -1 0 360.388 -0.823 20 0 FBADRM Cc1cccc(C[C@@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C(=O)[O-])c1 ZINC000262502801 243321617 /nfs/dbraw/zinc/32/16/17/243321617.db2.gz NUCLVFKORDBGPO-AWEZNQCLSA-N -1 0 359.382 -0.085 20 0 FBADRM Cc1cccc(C[C@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C(=O)[O-])c1 ZINC000262502803 243321827 /nfs/dbraw/zinc/32/18/27/243321827.db2.gz NUCLVFKORDBGPO-CQSZACIVSA-N -1 0 359.382 -0.085 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c1 ZINC000262504539 536847583 /nfs/dbraw/zinc/84/75/83/536847583.db2.gz ZPQVYUZVMMJWER-MRVPVSSYSA-N -1 0 362.360 -0.334 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c1 ZINC000262504541 536846646 /nfs/dbraw/zinc/84/66/46/536846646.db2.gz ZPQVYUZVMMJWER-QMMMGPOBSA-N -1 0 362.360 -0.334 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@](C)(C(=O)[O-])C3)cnc21 ZINC000262506295 243321321 /nfs/dbraw/zinc/32/13/21/243321321.db2.gz ZYQVBUFKYHLSQF-AWEZNQCLSA-N -1 0 368.371 -0.481 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@@](C)(C(=O)[O-])C3)cnc21 ZINC000262506297 243321778 /nfs/dbraw/zinc/32/17/78/243321778.db2.gz ZYQVBUFKYHLSQF-CQSZACIVSA-N -1 0 368.371 -0.481 20 0 FBADRM CC(C)N1C(=O)c2ccc(C(=O)NC[C@](C)(O)C(=O)[O-])cc2S1(=O)=O ZINC000262506553 243322174 /nfs/dbraw/zinc/32/21/74/243322174.db2.gz LIXIVDXIGIEMEI-HNNXBMFYSA-N -1 0 370.383 -0.195 20 0 FBADRM CC(C)N1C(=O)c2ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc2S1(=O)=O ZINC000262506558 243321277 /nfs/dbraw/zinc/32/12/77/243321277.db2.gz LIXIVDXIGIEMEI-OAHLLOKOSA-N -1 0 370.383 -0.195 20 0 FBADRM C[C@@](O)(CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)C(=O)[O-] ZINC000262510274 243321923 /nfs/dbraw/zinc/32/19/23/243321923.db2.gz MADLNFHGVOCMIC-CVEARBPZSA-N -1 0 367.333 -0.456 20 0 FBADRM C[C@](O)(CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)C(=O)[O-] ZINC000262510276 243320504 /nfs/dbraw/zinc/32/05/04/243320504.db2.gz MADLNFHGVOCMIC-HOTGVXAUSA-N -1 0 367.333 -0.456 20 0 FBADRM C[C@@](O)(CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)C(=O)[O-] ZINC000262510279 243322288 /nfs/dbraw/zinc/32/22/88/243322288.db2.gz MADLNFHGVOCMIC-HZPDHXFCSA-N -1 0 367.333 -0.456 20 0 FBADRM C[C@](O)(CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)C(=O)[O-] ZINC000262510281 243321422 /nfs/dbraw/zinc/32/14/22/243321422.db2.gz MADLNFHGVOCMIC-JKSUJKDBSA-N -1 0 367.333 -0.456 20 0 FBADRM C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)[O-] ZINC000262511078 243320789 /nfs/dbraw/zinc/32/07/89/243320789.db2.gz KFBBWGYNPKYJST-VIFPVBQESA-N -1 0 355.372 -0.990 20 0 FBADRM C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)[O-] ZINC000262511105 243320424 /nfs/dbraw/zinc/32/04/24/243320424.db2.gz KGIYHMLPJHEJOZ-DTWKUNHWSA-N -1 0 355.372 -0.724 20 0 FBADRM C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)[O-] ZINC000262511106 243322018 /nfs/dbraw/zinc/32/20/18/243322018.db2.gz KGIYHMLPJHEJOZ-IUCAKERBSA-N -1 0 355.372 -0.724 20 0 FBADRM COc1ccc(CN2C[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])CC2=O)cc1 ZINC000262512647 243321465 /nfs/dbraw/zinc/32/14/65/243321465.db2.gz MKCLHIKZSLGHQQ-PXAZEXFGSA-N -1 0 350.371 -0.005 20 0 FBADRM COc1ccc(CN2C[C@@H](C(=O)NC[C@](C)(O)C(=O)[O-])CC2=O)cc1 ZINC000262512648 536859570 /nfs/dbraw/zinc/85/95/70/536859570.db2.gz MKCLHIKZSLGHQQ-SJCJKPOMSA-N -1 0 350.371 -0.005 20 0 FBADRM COc1ccc(CN2C[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])CC2=O)cc1 ZINC000262512649 243320764 /nfs/dbraw/zinc/32/07/64/243320764.db2.gz MKCLHIKZSLGHQQ-SJKOYZFVSA-N -1 0 350.371 -0.005 20 0 FBADRM COc1ccc(CN2C[C@@H](C(=O)NC[C@@](C)(O)C(=O)[O-])CC2=O)cc1 ZINC000262512650 536859080 /nfs/dbraw/zinc/85/90/80/536859080.db2.gz MKCLHIKZSLGHQQ-YVEFUNNKSA-N -1 0 350.371 -0.005 20 0 FBADRM C[C@](O)(CNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)C(=O)[O-] ZINC000262513715 243320524 /nfs/dbraw/zinc/32/05/24/243320524.db2.gz MMNIAPDNCRIDOC-HNNXBMFYSA-N -1 0 356.400 -0.060 20 0 FBADRM C[C@@](O)(CNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)C(=O)[O-] ZINC000262513717 243320816 /nfs/dbraw/zinc/32/08/16/243320816.db2.gz MMNIAPDNCRIDOC-OAHLLOKOSA-N -1 0 356.400 -0.060 20 0 FBADRM C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)[O-] ZINC000262518329 243321349 /nfs/dbraw/zinc/32/13/49/243321349.db2.gz LQOJGGXGYNHZLS-VIFPVBQESA-N -1 0 357.388 -0.627 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)Cn2ccc(=O)n(C)c2=O)c1OC ZINC000262522973 536542221 /nfs/dbraw/zinc/54/22/21/536542221.db2.gz MTXDFCIELVDNIW-UHFFFAOYSA-N -1 0 363.326 -0.099 20 0 FBADRM C[C@](O)(CNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000262527499 243324187 /nfs/dbraw/zinc/32/41/87/243324187.db2.gz OXRAASZAFBRPNF-HNNXBMFYSA-N -1 0 372.399 -0.727 20 0 FBADRM C[C@@](O)(CNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000262527506 243323733 /nfs/dbraw/zinc/32/37/33/243323733.db2.gz OXRAASZAFBRPNF-OAHLLOKOSA-N -1 0 372.399 -0.727 20 0 FBADRM CCN1C(=O)c2ccc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cc2S1(=O)=O ZINC000262529808 243323319 /nfs/dbraw/zinc/32/33/19/243323319.db2.gz SHIAMXLSEDWZBV-LLVKDONJSA-N -1 0 368.367 -0.223 20 0 FBADRM CCN1C(=O)c2ccc(C(=O)N3CCOC[C@H]3C(=O)[O-])cc2S1(=O)=O ZINC000262529809 243323966 /nfs/dbraw/zinc/32/39/66/243323966.db2.gz SHIAMXLSEDWZBV-NSHDSACASA-N -1 0 368.367 -0.223 20 0 FBADRM C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)[O-] ZINC000262533915 243324102 /nfs/dbraw/zinc/32/41/02/243324102.db2.gz PTPLVMQJLIWJDL-NXEZZACHSA-N -1 0 369.399 -0.476 20 0 FBADRM C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)[O-] ZINC000262533916 243323343 /nfs/dbraw/zinc/32/33/43/243323343.db2.gz PTPLVMQJLIWJDL-UWVGGRQHSA-N -1 0 369.399 -0.476 20 0 FBADRM C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)[O-] ZINC000262533917 243323376 /nfs/dbraw/zinc/32/33/76/243323376.db2.gz PTPLVMQJLIWJDL-VHSXEESVSA-N -1 0 369.399 -0.476 20 0 FBADRM C[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)[O-] ZINC000262533918 243323489 /nfs/dbraw/zinc/32/34/89/243323489.db2.gz PTPLVMQJLIWJDL-ZJUUUORDSA-N -1 0 369.399 -0.476 20 0 FBADRM CC(C)C[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)[O-] ZINC000262534678 243323326 /nfs/dbraw/zinc/32/33/26/243323326.db2.gz JKZVLYWVQQAYEX-SECBINFHSA-N -1 0 351.363 -0.951 20 0 FBADRM CC(C)C[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)[O-] ZINC000262534679 243324383 /nfs/dbraw/zinc/32/43/83/243324383.db2.gz JKZVLYWVQQAYEX-VIFPVBQESA-N -1 0 351.363 -0.951 20 0 FBADRM COc1cccc(C[C@@H](C(=O)NC[C@](C)(O)C(=O)[O-])n2nnnc2C)c1 ZINC000262535741 243323937 /nfs/dbraw/zinc/32/39/37/243323937.db2.gz QIVDBGNGRVEYAO-BBRMVZONSA-N -1 0 363.374 -0.274 20 0 FBADRM COc1cccc(C[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])n2nnnc2C)c1 ZINC000262535748 243323012 /nfs/dbraw/zinc/32/30/12/243323012.db2.gz QIVDBGNGRVEYAO-CJNGLKHVSA-N -1 0 363.374 -0.274 20 0 FBADRM COc1cccc(C[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])n2nnnc2C)c1 ZINC000262535756 243323436 /nfs/dbraw/zinc/32/34/36/243323436.db2.gz QIVDBGNGRVEYAO-CZUORRHYSA-N -1 0 363.374 -0.274 20 0 FBADRM COc1cccc(C[C@@H](C(=O)NC[C@@](C)(O)C(=O)[O-])n2nnnc2C)c1 ZINC000262535763 243323286 /nfs/dbraw/zinc/32/32/86/243323286.db2.gz QIVDBGNGRVEYAO-XJKSGUPXSA-N -1 0 363.374 -0.274 20 0 FBADRM CS(=O)(=O)N1CCc2cc(C(=O)N3CCOC[C@@H]3C(=O)[O-])ccc21 ZINC000262536722 243323614 /nfs/dbraw/zinc/32/36/14/243323614.db2.gz QLTIUYPFHAOLGC-CYBMUJFWSA-N -1 0 354.384 -0.066 20 0 FBADRM CS(=O)(=O)N1CCc2cc(C(=O)N3CCOC[C@H]3C(=O)[O-])ccc21 ZINC000262536724 243323501 /nfs/dbraw/zinc/32/35/01/243323501.db2.gz QLTIUYPFHAOLGC-ZDUSSCGKSA-N -1 0 354.384 -0.066 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)CCNS(=O)(=O)c1ccc(F)cc1 ZINC000262537552 243323196 /nfs/dbraw/zinc/32/31/96/243323196.db2.gz ULYHBESNXIPDPT-GFCCVEGCSA-N -1 0 360.363 -0.194 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)CCNS(=O)(=O)c1ccc(F)cc1 ZINC000262537553 243323559 /nfs/dbraw/zinc/32/35/59/243323559.db2.gz ULYHBESNXIPDPT-LBPRGKRZSA-N -1 0 360.363 -0.194 20 0 FBADRM C[C@](O)(CNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000262546717 243324116 /nfs/dbraw/zinc/32/41/16/243324116.db2.gz SDBSNZJIYDZJRW-HNNXBMFYSA-N -1 0 373.383 -0.427 20 0 FBADRM C[C@@](O)(CNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000262546726 243324022 /nfs/dbraw/zinc/32/40/22/243324022.db2.gz SDBSNZJIYDZJRW-OAHLLOKOSA-N -1 0 373.383 -0.427 20 0 FBADRM Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000262549102 243322732 /nfs/dbraw/zinc/32/27/32/243322732.db2.gz SRAWONXMTCZZLF-DOMZBBRYSA-N -1 0 351.338 -0.144 20 0 FBADRM Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000262549109 243322851 /nfs/dbraw/zinc/32/28/51/243322851.db2.gz SRAWONXMTCZZLF-IUODEOHRSA-N -1 0 351.338 -0.144 20 0 FBADRM Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000262549114 243323242 /nfs/dbraw/zinc/32/32/42/243323242.db2.gz SRAWONXMTCZZLF-SWLSCSKDSA-N -1 0 351.338 -0.144 20 0 FBADRM Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000262549120 243324066 /nfs/dbraw/zinc/32/40/66/243324066.db2.gz SRAWONXMTCZZLF-WFASDCNBSA-N -1 0 351.338 -0.144 20 0 FBADRM CCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@](C)(O)C(=O)[O-])cc1 ZINC000262549284 535394601 /nfs/dbraw/zinc/39/46/01/535394601.db2.gz SSVIWRPKNDSTNI-HNNXBMFYSA-N -1 0 374.415 -0.295 20 0 FBADRM CCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@@](C)(O)C(=O)[O-])cc1 ZINC000262549285 535394998 /nfs/dbraw/zinc/39/49/98/535394998.db2.gz SSVIWRPKNDSTNI-OAHLLOKOSA-N -1 0 374.415 -0.295 20 0 FBADRM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)NC[C@](C)(O)C(=O)[O-] ZINC000262554615 243324241 /nfs/dbraw/zinc/32/42/41/243324241.db2.gz UOHYADXKYMVPCK-INIZCTEOSA-N -1 0 350.375 -0.237 20 0 FBADRM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000262554616 243324417 /nfs/dbraw/zinc/32/44/17/243324417.db2.gz UOHYADXKYMVPCK-MRXNPFEDSA-N -1 0 350.375 -0.237 20 0 FBADRM C[C@](O)(CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)[O-] ZINC000262555314 243324818 /nfs/dbraw/zinc/32/48/18/243324818.db2.gz USVGGKGSBJTDTL-HNNXBMFYSA-N -1 0 372.399 -0.727 20 0 FBADRM C[C@@](O)(CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)[O-] ZINC000262555315 243326522 /nfs/dbraw/zinc/32/65/22/243326522.db2.gz USVGGKGSBJTDTL-OAHLLOKOSA-N -1 0 372.399 -0.727 20 0 FBADRM CCC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@@](C)(O)C(=O)[O-])C2=O ZINC000262557981 535323714 /nfs/dbraw/zinc/32/37/14/535323714.db2.gz VMBQQCDGHASIPU-KRSWERPXSA-N -1 0 355.391 -0.171 20 0 FBADRM CCC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@](C)(O)C(=O)[O-])C2=O ZINC000262557983 535323428 /nfs/dbraw/zinc/32/34/28/535323428.db2.gz VMBQQCDGHASIPU-NWWFGRIYSA-N -1 0 355.391 -0.171 20 0 FBADRM CC(C)(NS(C)(=O)=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000262558052 535253498 /nfs/dbraw/zinc/25/34/98/535253498.db2.gz YSALCIYPXAKSLG-UHFFFAOYSA-N -1 0 357.388 -0.233 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC000262558648 243326356 /nfs/dbraw/zinc/32/63/56/243326356.db2.gz VSDFGWHGDQALLK-AWEZNQCLSA-N -1 0 360.388 -0.823 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC000262558649 243325032 /nfs/dbraw/zinc/32/50/32/243325032.db2.gz VSDFGWHGDQALLK-CQSZACIVSA-N -1 0 360.388 -0.823 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000262558824 243326651 /nfs/dbraw/zinc/32/66/51/243326651.db2.gz YZAPYQIPWXCXRM-CYBMUJFWSA-N -1 0 372.399 -0.463 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000262558825 243326784 /nfs/dbraw/zinc/32/67/84/243326784.db2.gz YZAPYQIPWXCXRM-ZDUSSCGKSA-N -1 0 372.399 -0.463 20 0 FBADRM C[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)[O-] ZINC000262561082 243324855 /nfs/dbraw/zinc/32/48/55/243324855.db2.gz YJWYQPDUVFFUHG-JTQLQIEISA-N -1 0 371.415 -0.379 20 0 FBADRM C[C@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)[O-] ZINC000262561083 243326465 /nfs/dbraw/zinc/32/64/65/243326465.db2.gz YJWYQPDUVFFUHG-SNVBAGLBSA-N -1 0 371.415 -0.379 20 0 FBADRM COc1ccc(C(=O)NC[C@](C)(O)C(=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000262561302 243326708 /nfs/dbraw/zinc/32/67/08/243326708.db2.gz WJVSQIHJHAMRDW-HNNXBMFYSA-N -1 0 372.399 -0.299 20 0 FBADRM COc1ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000262561303 243324798 /nfs/dbraw/zinc/32/47/98/243324798.db2.gz WJVSQIHJHAMRDW-OAHLLOKOSA-N -1 0 372.399 -0.299 20 0 FBADRM C[C@](O)(CNC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)C(=O)[O-] ZINC000262562840 243326827 /nfs/dbraw/zinc/32/68/27/243326827.db2.gz WWLPIAWNLHKRRS-HSMVNMDESA-N -1 0 370.402 -0.080 20 0 FBADRM C[C@](O)(CNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)C(=O)[O-] ZINC000262562846 243325060 /nfs/dbraw/zinc/32/50/60/243325060.db2.gz WWLPIAWNLHKRRS-MKBNYLNASA-N -1 0 370.402 -0.080 20 0 FBADRM C[C@](O)(CNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)C(=O)[O-] ZINC000262562850 243326198 /nfs/dbraw/zinc/32/61/98/243326198.db2.gz WWLPIAWNLHKRRS-OZVIIMIRSA-N -1 0 370.402 -0.080 20 0 FBADRM C[C@](O)(CNC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)C(=O)[O-] ZINC000262562855 243326460 /nfs/dbraw/zinc/32/64/60/243326460.db2.gz WWLPIAWNLHKRRS-WQGACYEGSA-N -1 0 370.402 -0.080 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)cnc21 ZINC000262563587 243326179 /nfs/dbraw/zinc/32/61/79/243326179.db2.gz XDUBICPKURWMPR-MRVPVSSYSA-N -1 0 368.371 -0.481 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)cnc21 ZINC000262563589 243324789 /nfs/dbraw/zinc/32/47/89/243324789.db2.gz XDUBICPKURWMPR-QMMMGPOBSA-N -1 0 368.371 -0.481 20 0 FBADRM CNC(=O)CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000262573230 243325344 /nfs/dbraw/zinc/32/53/44/243325344.db2.gz CZLNWIISDVOBIG-SECBINFHSA-N -1 0 373.387 -0.617 20 0 FBADRM CNC(=O)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000262573231 243326428 /nfs/dbraw/zinc/32/64/28/243326428.db2.gz CZLNWIISDVOBIG-VIFPVBQESA-N -1 0 373.387 -0.617 20 0 FBADRM NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCCC(=O)[O-])c1 ZINC000262574062 243326562 /nfs/dbraw/zinc/32/65/62/243326562.db2.gz DBZYSTKBDBTRQZ-UHFFFAOYSA-N -1 0 371.415 -0.235 20 0 FBADRM C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000262576835 243326615 /nfs/dbraw/zinc/32/66/15/243326615.db2.gz OWHMFGYQHGQPNY-QJPTWQEYSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000262576836 243324782 /nfs/dbraw/zinc/32/47/82/243324782.db2.gz OWHMFGYQHGQPNY-SDDRHHMPSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000262577272 243326585 /nfs/dbraw/zinc/32/65/85/243326585.db2.gz OWHMFGYQHGQPNY-SRVKXCTJSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000262577273 243324919 /nfs/dbraw/zinc/32/49/19/243324919.db2.gz OWHMFGYQHGQPNY-TUAOUCFPSA-N -1 0 360.432 -0.361 20 0 FBADRM O=C([O-])c1cc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)ccn1 ZINC000262597362 243324984 /nfs/dbraw/zinc/32/49/84/243324984.db2.gz JDAGSNRBGJWIOE-UHFFFAOYSA-N -1 0 374.353 -0.787 20 0 FBADRM CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000262618999 243328567 /nfs/dbraw/zinc/32/85/67/243328567.db2.gz CJBSHEIPXBCJMN-SRVKXCTJSA-N -1 0 360.432 -0.363 20 0 FBADRM CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000262619006 243329755 /nfs/dbraw/zinc/32/97/55/243329755.db2.gz CJBSHEIPXBCJMN-TUAOUCFPSA-N -1 0 360.432 -0.363 20 0 FBADRM CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000262619013 243329442 /nfs/dbraw/zinc/32/94/42/243329442.db2.gz CJBSHEIPXBCJMN-UTUOFQBUSA-N -1 0 360.432 -0.363 20 0 FBADRM CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000262619017 243329652 /nfs/dbraw/zinc/32/96/52/243329652.db2.gz CJBSHEIPXBCJMN-WOPDTQHZSA-N -1 0 360.432 -0.363 20 0 FBADRM Cc1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000262622207 243329408 /nfs/dbraw/zinc/32/94/08/243329408.db2.gz CTUSJJWKOPNBMI-JTQLQIEISA-N -1 0 360.370 -0.123 20 0 FBADRM Cc1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000262622208 243329615 /nfs/dbraw/zinc/32/96/15/243329615.db2.gz CTUSJJWKOPNBMI-SNVBAGLBSA-N -1 0 360.370 -0.123 20 0 FBADRM CCCC[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000262622340 243329101 /nfs/dbraw/zinc/32/91/01/243329101.db2.gz CVGFJSDSADUILJ-SNVBAGLBSA-N -1 0 357.454 -0.959 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1c(Cl)cnn1C ZINC000262623904 243329659 /nfs/dbraw/zinc/32/96/59/243329659.db2.gz HTYMLDRYNHQUFB-SSDOTTSWSA-N -1 0 352.800 -0.327 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1c(Cl)cnn1C ZINC000262623905 243328886 /nfs/dbraw/zinc/32/88/86/243328886.db2.gz HTYMLDRYNHQUFB-ZETCQYMHSA-N -1 0 352.800 -0.327 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])CCC1 ZINC000262631809 243327859 /nfs/dbraw/zinc/32/78/59/243327859.db2.gz FOIGOPSOLKNUIR-JTQLQIEISA-N -1 0 364.420 -0.429 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])CCC1 ZINC000262631813 243329251 /nfs/dbraw/zinc/32/92/51/243329251.db2.gz FOIGOPSOLKNUIR-SNVBAGLBSA-N -1 0 364.420 -0.429 20 0 FBADRM COc1ccc(CC(=O)NCC(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000262634755 243328426 /nfs/dbraw/zinc/32/84/26/243328426.db2.gz GOZVBCLRVHJIMI-UHFFFAOYSA-N -1 0 372.399 -0.541 20 0 FBADRM CC(C)C[C@@H](NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)C(=O)[O-] ZINC000262645622 243329259 /nfs/dbraw/zinc/32/92/59/243329259.db2.gz IJMVLFCNYSZMSB-MRVPVSSYSA-N -1 0 351.363 -0.090 20 0 FBADRM CC(C)C[C@H](NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)C(=O)[O-] ZINC000262645623 243329186 /nfs/dbraw/zinc/32/91/86/243329186.db2.gz IJMVLFCNYSZMSB-QMMMGPOBSA-N -1 0 351.363 -0.090 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000262647812 243327506 /nfs/dbraw/zinc/32/75/06/243327506.db2.gz RJRRKDPQNHNJQX-GHMZBOCLSA-N -1 0 357.388 -0.155 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000262647813 243329417 /nfs/dbraw/zinc/32/94/17/243329417.db2.gz RJRRKDPQNHNJQX-MNOVXSKESA-N -1 0 357.388 -0.155 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000262647814 243329396 /nfs/dbraw/zinc/32/93/96/243329396.db2.gz RJRRKDPQNHNJQX-QWRGUYRKSA-N -1 0 357.388 -0.155 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000262647815 243328676 /nfs/dbraw/zinc/32/86/76/243328676.db2.gz RJRRKDPQNHNJQX-WDEREUQCSA-N -1 0 357.388 -0.155 20 0 FBADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000262649847 243331897 /nfs/dbraw/zinc/33/18/97/243331897.db2.gz RRCPHIZHNGWZIM-NEPJUHHUSA-N -1 0 367.383 -0.534 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000262649851 243330620 /nfs/dbraw/zinc/33/06/20/243330620.db2.gz RRCPHIZHNGWZIM-NWDGAFQWSA-N -1 0 367.383 -0.534 20 0 FBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000262649854 243332797 /nfs/dbraw/zinc/33/27/97/243332797.db2.gz RRCPHIZHNGWZIM-RYUDHWBXSA-N -1 0 367.383 -0.534 20 0 FBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000262649858 243331830 /nfs/dbraw/zinc/33/18/30/243331830.db2.gz RRCPHIZHNGWZIM-VXGBXAGGSA-N -1 0 367.383 -0.534 20 0 FBADRM Cn1c2ncn(CCC(=O)N3CCCC[C@H]3C(=O)[O-])c2c(=O)n(C)c1=O ZINC000262651859 243331477 /nfs/dbraw/zinc/33/14/77/243331477.db2.gz JSDAJRRWXPCZRB-JTQLQIEISA-N -1 0 363.374 -0.711 20 0 FBADRM Cn1c2ncn(CCC(=O)N3CCCC[C@@H]3C(=O)[O-])c2c(=O)n(C)c1=O ZINC000262651860 243332401 /nfs/dbraw/zinc/33/24/01/243332401.db2.gz JSDAJRRWXPCZRB-SNVBAGLBSA-N -1 0 363.374 -0.711 20 0 FBADRM CCOc1cc(C(=O)N2CCO[C@@H](C(N)=O)C2)ccc1OCC(=O)[O-] ZINC000262653494 243330760 /nfs/dbraw/zinc/33/07/60/243330760.db2.gz SGCRHMPCGKRLLZ-CYBMUJFWSA-N -1 0 352.343 -0.125 20 0 FBADRM CCOc1cc(C(=O)N2CCO[C@H](C(N)=O)C2)ccc1OCC(=O)[O-] ZINC000262653496 243331347 /nfs/dbraw/zinc/33/13/47/243331347.db2.gz SGCRHMPCGKRLLZ-ZDUSSCGKSA-N -1 0 352.343 -0.125 20 0 FBADRM C[C@H](C(=O)[O-])N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000262656957 243333156 /nfs/dbraw/zinc/33/31/56/243333156.db2.gz MRVZZZQESBVLCW-CYBMUJFWSA-N -1 0 369.443 -0.076 20 0 FBADRM C[C@@H](C(=O)[O-])N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000262656959 243332449 /nfs/dbraw/zinc/33/24/49/243332449.db2.gz MRVZZZQESBVLCW-ZDUSSCGKSA-N -1 0 369.443 -0.076 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CCCC[C@@H]2C(=O)[O-])cn1C ZINC000262657295 243332807 /nfs/dbraw/zinc/33/28/07/243332807.db2.gz KTAJDRHWIHZVCQ-LLVKDONJSA-N -1 0 358.420 -0.137 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CCCC[C@H]2C(=O)[O-])cn1C ZINC000262657299 243330722 /nfs/dbraw/zinc/33/07/22/243330722.db2.gz KTAJDRHWIHZVCQ-NSHDSACASA-N -1 0 358.420 -0.137 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1C ZINC000262661713 243331168 /nfs/dbraw/zinc/33/11/68/243331168.db2.gz LWNMEKJPEOPNHG-LLVKDONJSA-N -1 0 358.420 -0.280 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CCC[C@H](C(=O)[O-])C2)cn1C ZINC000262661714 243332869 /nfs/dbraw/zinc/33/28/69/243332869.db2.gz LWNMEKJPEOPNHG-NSHDSACASA-N -1 0 358.420 -0.280 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000262662938 243330940 /nfs/dbraw/zinc/33/09/40/243330940.db2.gz UXIVXKLKUBJOKK-UHFFFAOYSA-N -1 0 358.372 -0.283 20 0 FBADRM CC(C)C[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000262663358 243332360 /nfs/dbraw/zinc/33/23/60/243332360.db2.gz NQRTXYZBKNXBPQ-SECBINFHSA-N -1 0 351.363 -0.951 20 0 FBADRM O=C([O-])CNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000262669184 243330920 /nfs/dbraw/zinc/33/09/20/243330920.db2.gz QFIZMMYRQZNCDH-UHFFFAOYSA-N -1 0 356.400 -0.159 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])cnc21 ZINC000262669626 243330680 /nfs/dbraw/zinc/33/06/80/243330680.db2.gz OVAQGUNHXFCBPM-JTQLQIEISA-N -1 0 368.371 -0.338 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])cnc21 ZINC000262669631 243333004 /nfs/dbraw/zinc/33/30/04/243333004.db2.gz OVAQGUNHXFCBPM-SNVBAGLBSA-N -1 0 368.371 -0.338 20 0 FBADRM CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC(=O)[O-])n2C ZINC000262669896 536115180 /nfs/dbraw/zinc/11/51/80/536115180.db2.gz XAANBHQBJXXDFW-UHFFFAOYSA-N -1 0 368.415 -0.043 20 0 FBADRM NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NCCCC(=O)[O-])CC2=O)c1 ZINC000262669955 243331202 /nfs/dbraw/zinc/33/12/02/243331202.db2.gz XCCQPRJKHUHLAW-JTQLQIEISA-N -1 0 369.399 -0.332 20 0 FBADRM NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NCCCC(=O)[O-])CC2=O)c1 ZINC000262669956 243333024 /nfs/dbraw/zinc/33/30/24/243333024.db2.gz XCCQPRJKHUHLAW-SNVBAGLBSA-N -1 0 369.399 -0.332 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000262671262 243331044 /nfs/dbraw/zinc/33/10/44/243331044.db2.gz PLZBCZIFWNTPQC-JTQLQIEISA-N -1 0 359.404 -0.124 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000262671263 243330239 /nfs/dbraw/zinc/33/02/39/243330239.db2.gz PLZBCZIFWNTPQC-SNVBAGLBSA-N -1 0 359.404 -0.124 20 0 FBADRM CC(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)C(=O)[O-] ZINC000262672010 243330494 /nfs/dbraw/zinc/33/04/94/243330494.db2.gz PWEINJICLRBGMP-MRVPVSSYSA-N -1 0 361.376 -0.728 20 0 FBADRM CC(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)C(=O)[O-] ZINC000262672011 243331414 /nfs/dbraw/zinc/33/14/14/243331414.db2.gz PWEINJICLRBGMP-QMMMGPOBSA-N -1 0 361.376 -0.728 20 0 FBADRM CCC[C@@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000262679789 243332433 /nfs/dbraw/zinc/33/24/33/243332433.db2.gz SGSVEOMQRASWAJ-SECBINFHSA-N -1 0 356.360 -0.434 20 0 FBADRM CCC[C@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000262679793 535706448 /nfs/dbraw/zinc/70/64/48/535706448.db2.gz SGSVEOMQRASWAJ-VIFPVBQESA-N -1 0 356.360 -0.434 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000262681347 243330779 /nfs/dbraw/zinc/33/07/79/243330779.db2.gz STGSGGYLFJTJHQ-GRYCIOLGSA-N -1 0 358.416 -0.655 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000262681348 243330966 /nfs/dbraw/zinc/33/09/66/243330966.db2.gz STGSGGYLFJTJHQ-IJLUTSLNSA-N -1 0 358.416 -0.655 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000262681349 243330482 /nfs/dbraw/zinc/33/04/82/243330482.db2.gz STGSGGYLFJTJHQ-UTUOFQBUSA-N -1 0 358.416 -0.655 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000262681350 243332160 /nfs/dbraw/zinc/33/21/60/243332160.db2.gz STGSGGYLFJTJHQ-WOPDTQHZSA-N -1 0 358.416 -0.655 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000262684083 534748638 /nfs/dbraw/zinc/74/86/38/534748638.db2.gz CHGCJOMTEDIVAG-SECBINFHSA-N -1 0 357.388 -0.145 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000262684101 534747995 /nfs/dbraw/zinc/74/79/95/534747995.db2.gz CHGCJOMTEDIVAG-VIFPVBQESA-N -1 0 357.388 -0.145 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCC(=O)[O-] ZINC000262686016 243333148 /nfs/dbraw/zinc/33/31/48/243333148.db2.gz DLMQQJHXWBZEAD-SECBINFHSA-N -1 0 358.372 -0.285 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCC(=O)[O-] ZINC000262686017 243332391 /nfs/dbraw/zinc/33/23/91/243332391.db2.gz DLMQQJHXWBZEAD-VIFPVBQESA-N -1 0 358.372 -0.285 20 0 FBADRM Cc1sc2ncc(C(=O)NCc3cn(CC(=O)[O-])nn3)c(=O)n2c1C ZINC000262687089 243332786 /nfs/dbraw/zinc/33/27/86/243332786.db2.gz AXPPEKLBCUSXBF-UHFFFAOYSA-N -1 0 362.371 -0.021 20 0 FBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000262689998 243330772 /nfs/dbraw/zinc/33/07/72/243330772.db2.gz ZVUCFUVLDOPCAA-FRRDWIJNSA-N -1 0 360.432 -0.250 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000262689999 243331490 /nfs/dbraw/zinc/33/14/90/243331490.db2.gz ZVUCFUVLDOPCAA-JHJVBQTASA-N -1 0 360.432 -0.250 20 0 FBADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000262690000 243332352 /nfs/dbraw/zinc/33/23/52/243332352.db2.gz ZVUCFUVLDOPCAA-RWMBFGLXSA-N -1 0 360.432 -0.250 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000262690001 243330279 /nfs/dbraw/zinc/33/02/79/243330279.db2.gz ZVUCFUVLDOPCAA-YNEHKIRRSA-N -1 0 360.432 -0.250 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000262690546 243331927 /nfs/dbraw/zinc/33/19/27/243331927.db2.gz CDYLYOACOPTDMF-NSHDSACASA-N -1 0 365.452 -0.610 20 0 FBADRM COc1ccc(C(=O)NCC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1OC ZINC000262691393 243332910 /nfs/dbraw/zinc/33/29/10/243332910.db2.gz BRDLFFALWQASAG-LLVKDONJSA-N -1 0 352.343 -0.254 20 0 FBADRM COc1ccc(C(=O)NCC(=O)N2CCOC[C@H]2C(=O)[O-])cc1OC ZINC000262691394 243333096 /nfs/dbraw/zinc/33/30/96/243333096.db2.gz BRDLFFALWQASAG-NSHDSACASA-N -1 0 352.343 -0.254 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])o1 ZINC000262692332 243331685 /nfs/dbraw/zinc/33/16/85/243331685.db2.gz WIBCFVRONXAPOB-MRVPVSSYSA-N -1 0 359.360 -0.878 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])o1 ZINC000262692334 243332183 /nfs/dbraw/zinc/33/21/83/243332183.db2.gz WIBCFVRONXAPOB-QMMMGPOBSA-N -1 0 359.360 -0.878 20 0 FBADRM O=C([O-])[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000262692385 243332313 /nfs/dbraw/zinc/33/23/13/243332313.db2.gz WLFYVTCTHMUZKH-KBPBESRZSA-N -1 0 353.419 -0.367 20 0 FBADRM O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000262692387 243332055 /nfs/dbraw/zinc/33/20/55/243332055.db2.gz WLFYVTCTHMUZKH-KGLIPLIRSA-N -1 0 353.419 -0.367 20 0 FBADRM O=C([O-])[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000262692389 243331713 /nfs/dbraw/zinc/33/17/13/243331713.db2.gz WLFYVTCTHMUZKH-UONOGXRCSA-N -1 0 353.419 -0.367 20 0 FBADRM O=C([O-])[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000262692391 243330299 /nfs/dbraw/zinc/33/02/99/243330299.db2.gz WLFYVTCTHMUZKH-ZIAGYGMSSA-N -1 0 353.419 -0.367 20 0 FBADRM CCn1c(=O)n(CC(=O)NCc2cn(CC(=O)[O-])nn2)c2ccccc21 ZINC000262695125 243331869 /nfs/dbraw/zinc/33/18/69/243331869.db2.gz DKJITNFVCCUYEF-UHFFFAOYSA-N -1 0 358.358 -0.185 20 0 FBADRM CC(C)[C@H](C(=O)NCc1cn(CC(=O)[O-])nn1)N1CCCS1(=O)=O ZINC000262696203 534906092 /nfs/dbraw/zinc/90/60/92/534906092.db2.gz DRXUYKDYEOFQLT-GFCCVEGCSA-N -1 0 359.408 -0.961 20 0 FBADRM CC(C)[C@@H](C(=O)NCc1cn(CC(=O)[O-])nn1)N1CCCS1(=O)=O ZINC000262696204 535139478 /nfs/dbraw/zinc/13/94/78/535139478.db2.gz DRXUYKDYEOFQLT-LBPRGKRZSA-N -1 0 359.408 -0.961 20 0 FBADRM CC(C)C[C@H](NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000262699168 243330880 /nfs/dbraw/zinc/33/08/80/243330880.db2.gz YIUKPZPSDJWWPS-JTQLQIEISA-N -1 0 365.390 -0.561 20 0 FBADRM CC(C)C[C@@H](NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000262699169 243330563 /nfs/dbraw/zinc/33/05/63/243330563.db2.gz YIUKPZPSDJWWPS-SNVBAGLBSA-N -1 0 365.390 -0.561 20 0 FBADRM CCCC[C@@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000262700781 534937375 /nfs/dbraw/zinc/93/73/75/534937375.db2.gz YVSDUOIJYBARJH-SNVBAGLBSA-N -1 0 370.387 -0.044 20 0 FBADRM O=C([O-])[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000262701509 243332382 /nfs/dbraw/zinc/33/23/82/243332382.db2.gz ZDYWFAVVLLWWDU-SRVKXCTJSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000262701510 243333066 /nfs/dbraw/zinc/33/30/66/243333066.db2.gz ZDYWFAVVLLWWDU-TUAOUCFPSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000262701511 243332371 /nfs/dbraw/zinc/33/23/71/243332371.db2.gz ZDYWFAVVLLWWDU-UTUOFQBUSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000262701512 243333071 /nfs/dbraw/zinc/33/30/71/243333071.db2.gz ZDYWFAVVLLWWDU-WOPDTQHZSA-N -1 0 358.416 -0.512 20 0 FBADRM Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCC(=O)[O-])CC2)c1 ZINC000262702151 243331725 /nfs/dbraw/zinc/33/17/25/243331725.db2.gz KZEAQJICIOHVIZ-UHFFFAOYSA-N -1 0 355.416 -0.352 20 0 FBADRM COCCN1C(=O)c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2S1(=O)=O ZINC000262705742 243330887 /nfs/dbraw/zinc/33/08/87/243330887.db2.gz MWBILEHYLDPNAZ-MRVPVSSYSA-N -1 0 356.356 -0.320 20 0 FBADRM COCCN1C(=O)c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2S1(=O)=O ZINC000262705748 243330810 /nfs/dbraw/zinc/33/08/10/243330810.db2.gz MWBILEHYLDPNAZ-QMMMGPOBSA-N -1 0 356.356 -0.320 20 0 FBADRM O=C([O-])CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O ZINC000262706590 243330201 /nfs/dbraw/zinc/33/02/01/243330201.db2.gz NARGFAUQVYJASO-JTQLQIEISA-N -1 0 368.367 -0.176 20 0 FBADRM O=C([O-])CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O ZINC000262706591 243332075 /nfs/dbraw/zinc/33/20/75/243332075.db2.gz NARGFAUQVYJASO-SNVBAGLBSA-N -1 0 368.367 -0.176 20 0 FBADRM Cc1cc(C(=O)N2CCC(C(=O)[O-])CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000262708350 243332767 /nfs/dbraw/zinc/33/27/67/243332767.db2.gz OGLCXINCSJOMHV-UHFFFAOYSA-N -1 0 360.370 -0.123 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCC(=O)[O-])c2)CC1 ZINC000262712299 243330157 /nfs/dbraw/zinc/33/01/57/243330157.db2.gz QAZWNMJZPGPGJV-UHFFFAOYSA-N -1 0 369.399 -0.646 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)ccc1OC ZINC000262715039 243330643 /nfs/dbraw/zinc/33/06/43/243330643.db2.gz GMUBUBFOBQAEHO-LLVKDONJSA-N -1 0 372.399 -0.081 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)ccc1OC ZINC000262715040 243331971 /nfs/dbraw/zinc/33/19/71/243331971.db2.gz GMUBUBFOBQAEHO-NSHDSACASA-N -1 0 372.399 -0.081 20 0 FBADRM C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)[O-] ZINC000262715176 243330474 /nfs/dbraw/zinc/33/04/74/243330474.db2.gz RLEPZGPFKUAIRR-SECBINFHSA-N -1 0 355.372 -0.990 20 0 FBADRM C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)[O-] ZINC000262715184 243331442 /nfs/dbraw/zinc/33/14/42/243331442.db2.gz RLEPZGPFKUAIRR-VIFPVBQESA-N -1 0 355.372 -0.990 20 0 FBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000262724069 535058122 /nfs/dbraw/zinc/05/81/22/535058122.db2.gz FZGBJKCVRYVWBL-JTQLQIEISA-N -1 0 350.437 -0.052 20 0 FBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000262724071 535095386 /nfs/dbraw/zinc/09/53/86/535095386.db2.gz FZGBJKCVRYVWBL-SNVBAGLBSA-N -1 0 350.437 -0.052 20 0 FBADRM CS(=O)(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)c2ccsc2)CCO1 ZINC000262729513 243335554 /nfs/dbraw/zinc/33/55/54/243335554.db2.gz ARANVYYUQRMPMC-LLVKDONJSA-N -1 0 362.429 -0.065 20 0 FBADRM CS(=O)(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)c2ccsc2)CCO1 ZINC000262729514 243334388 /nfs/dbraw/zinc/33/43/88/243334388.db2.gz ARANVYYUQRMPMC-NSHDSACASA-N -1 0 362.429 -0.065 20 0 FBADRM CC(C)C[C@@H](NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000262730440 243335453 /nfs/dbraw/zinc/33/54/53/243335453.db2.gz CJBSHEIPXBCJMN-GRYCIOLGSA-N -1 0 360.432 -0.363 20 0 FBADRM CC(C)C[C@@H](NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000262730449 243334076 /nfs/dbraw/zinc/33/40/76/243334076.db2.gz CJBSHEIPXBCJMN-IJLUTSLNSA-N -1 0 360.432 -0.363 20 0 FBADRM CC(C)C[C@@H](NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000262730454 243335809 /nfs/dbraw/zinc/33/58/09/243335809.db2.gz CJBSHEIPXBCJMN-QJPTWQEYSA-N -1 0 360.432 -0.363 20 0 FBADRM CC(C)C[C@@H](NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000262730458 243335039 /nfs/dbraw/zinc/33/50/39/243335039.db2.gz CJBSHEIPXBCJMN-SDDRHHMPSA-N -1 0 360.432 -0.363 20 0 FBADRM Cn1c2ncn(CCC(=O)NC(C)(C)CCC(=O)[O-])c2c(=O)n(C)c1=O ZINC000262730655 243333654 /nfs/dbraw/zinc/33/36/54/243333654.db2.gz BSPILMCRDPQDRW-UHFFFAOYSA-N -1 0 365.390 -0.417 20 0 FBADRM CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000262732341 243335679 /nfs/dbraw/zinc/33/56/79/243335679.db2.gz DLZCLTPVDJRPMS-CYBMUJFWSA-N -1 0 356.400 -0.161 20 0 FBADRM CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000262732346 243334734 /nfs/dbraw/zinc/33/47/34/243334734.db2.gz DLZCLTPVDJRPMS-ZDUSSCGKSA-N -1 0 356.400 -0.161 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)NC(C)(C)CCC(=O)[O-])c(=O)n2C ZINC000262733140 243335771 /nfs/dbraw/zinc/33/57/71/243335771.db2.gz CMMJITXXEWMIPT-UHFFFAOYSA-N -1 0 351.363 -0.807 20 0 FBADRM Cc1ccc(C(=O)N2CCO[C@@H](CN(CC(=O)[O-])S(C)(=O)=O)C2)o1 ZINC000262734692 243333769 /nfs/dbraw/zinc/33/37/69/243333769.db2.gz BNHRHZVCWOARGA-LLVKDONJSA-N -1 0 360.388 -0.225 20 0 FBADRM Cc1ccc(C(=O)N2CCO[C@H](CN(CC(=O)[O-])S(C)(=O)=O)C2)o1 ZINC000262734693 243334053 /nfs/dbraw/zinc/33/40/53/243334053.db2.gz BNHRHZVCWOARGA-NSHDSACASA-N -1 0 360.388 -0.225 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000262736655 243333896 /nfs/dbraw/zinc/33/38/96/243333896.db2.gz HUJCEJJQVJHEDQ-AAEUAGOBSA-N -1 0 366.436 -0.673 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000262736660 243335460 /nfs/dbraw/zinc/33/54/60/243335460.db2.gz HUJCEJJQVJHEDQ-DGCLKSJQSA-N -1 0 366.436 -0.673 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000262736664 243334290 /nfs/dbraw/zinc/33/42/90/243334290.db2.gz HUJCEJJQVJHEDQ-WCQYABFASA-N -1 0 366.436 -0.673 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000262736668 243334245 /nfs/dbraw/zinc/33/42/45/243334245.db2.gz HUJCEJJQVJHEDQ-YPMHNXCESA-N -1 0 366.436 -0.673 20 0 FBADRM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000262736932 535008901 /nfs/dbraw/zinc/00/89/01/535008901.db2.gz DLAUILXJJNOBTQ-GHMZBOCLSA-N -1 0 360.432 -0.218 20 0 FBADRM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000262736935 243334356 /nfs/dbraw/zinc/33/43/56/243334356.db2.gz DLAUILXJJNOBTQ-MNOVXSKESA-N -1 0 360.432 -0.218 20 0 FBADRM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000262736937 243334236 /nfs/dbraw/zinc/33/42/36/243334236.db2.gz DLAUILXJJNOBTQ-QWRGUYRKSA-N -1 0 360.432 -0.218 20 0 FBADRM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000262736940 243333792 /nfs/dbraw/zinc/33/37/92/243333792.db2.gz DLAUILXJJNOBTQ-WDEREUQCSA-N -1 0 360.432 -0.218 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000262738144 243333410 /nfs/dbraw/zinc/33/34/10/243333410.db2.gz GYNHGSDBLDLFNP-GFCCVEGCSA-N -1 0 366.399 -0.490 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)NCc2cccc(OCC(=O)[O-])c2)nn1 ZINC000262744077 243333591 /nfs/dbraw/zinc/33/35/91/243333591.db2.gz JPKZRZLVFOMLHB-UHFFFAOYSA-N -1 0 361.358 -0.240 20 0 FBADRM Cc1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000262746127 243335735 /nfs/dbraw/zinc/33/57/35/243335735.db2.gz AOOAAVUHWJKAOK-KRWDZBQOSA-N -1 0 360.370 -0.123 20 0 FBADRM Cc1cc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000262746129 243333495 /nfs/dbraw/zinc/33/34/95/243333495.db2.gz AOOAAVUHWJKAOK-QGZVFWFLSA-N -1 0 360.370 -0.123 20 0 FBADRM C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)[O-] ZINC000262749272 243333754 /nfs/dbraw/zinc/33/37/54/243333754.db2.gz KFBBWGYNPKYJST-SECBINFHSA-N -1 0 355.372 -0.990 20 0 FBADRM C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)[O-] ZINC000262750224 243335049 /nfs/dbraw/zinc/33/50/49/243335049.db2.gz KGIYHMLPJHEJOZ-BDAKNGLRSA-N -1 0 355.372 -0.724 20 0 FBADRM C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)[O-] ZINC000262750227 243334257 /nfs/dbraw/zinc/33/42/57/243334257.db2.gz KGIYHMLPJHEJOZ-RKDXNWHRSA-N -1 0 355.372 -0.724 20 0 FBADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000262753472 243335559 /nfs/dbraw/zinc/33/55/59/243335559.db2.gz JDZZMDAAZYOBHL-SECBINFHSA-N -1 0 355.372 -0.845 20 0 FBADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000262753480 243335313 /nfs/dbraw/zinc/33/53/13/243335313.db2.gz JDZZMDAAZYOBHL-VIFPVBQESA-N -1 0 355.372 -0.845 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000262753626 243335217 /nfs/dbraw/zinc/33/52/17/243335217.db2.gz JTCKAOZNTZYPCS-UHFFFAOYSA-N -1 0 372.399 -0.046 20 0 FBADRM CC(C)N(CC(=O)[O-])C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000262763880 243334972 /nfs/dbraw/zinc/33/49/72/243334972.db2.gz GBAPAZJWZIMESY-UHFFFAOYSA-N -1 0 351.363 -0.855 20 0 FBADRM COc1ncnc(OC)c1C(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000262774560 536905223 /nfs/dbraw/zinc/90/52/23/536905223.db2.gz MWQIDWCPXSBYBN-UHFFFAOYSA-N -1 0 366.374 -0.111 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CCO1 ZINC000262775637 243336465 /nfs/dbraw/zinc/33/64/65/243336465.db2.gz MULSNASNMSTZCF-JTQLQIEISA-N -1 0 355.372 -0.814 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CCO1 ZINC000262775639 243336477 /nfs/dbraw/zinc/33/64/77/243336477.db2.gz MULSNASNMSTZCF-SNVBAGLBSA-N -1 0 355.372 -0.814 20 0 FBADRM CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000262776804 243337081 /nfs/dbraw/zinc/33/70/81/243337081.db2.gz NIEVFEYZOXBXHF-CYBMUJFWSA-N -1 0 356.400 -0.161 20 0 FBADRM CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000262776805 243337736 /nfs/dbraw/zinc/33/77/36/243337736.db2.gz NIEVFEYZOXBXHF-ZDUSSCGKSA-N -1 0 356.400 -0.161 20 0 FBADRM CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(O)(C(=O)[O-])CC2)cc1 ZINC000262776880 243337661 /nfs/dbraw/zinc/33/76/61/243337661.db2.gz NJKVPHKJYWFSCP-UHFFFAOYSA-N -1 0 370.427 -0.035 20 0 FBADRM CN(CC(=O)N1CCO[C@H](CC(=O)[O-])C1)S(=O)(=O)c1cccnc1 ZINC000262779340 243337266 /nfs/dbraw/zinc/33/72/66/243337266.db2.gz NTUYUIYBSFZJAC-LLVKDONJSA-N -1 0 357.388 -0.596 20 0 FBADRM CN(CC(=O)N1CCO[C@@H](CC(=O)[O-])C1)S(=O)(=O)c1cccnc1 ZINC000262779347 536167756 /nfs/dbraw/zinc/16/77/56/536167756.db2.gz NTUYUIYBSFZJAC-NSHDSACASA-N -1 0 357.388 -0.596 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000262781417 243337470 /nfs/dbraw/zinc/33/74/70/243337470.db2.gz YAOMWWDRYOFEKX-CYBMUJFWSA-N -1 0 358.416 -0.246 20 0 FBADRM O=C([O-])C1(O)CCN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1 ZINC000262781485 243337091 /nfs/dbraw/zinc/33/70/91/243337091.db2.gz NHZLZYASDOLKMC-UHFFFAOYSA-N -1 0 361.354 -0.482 20 0 FBADRM CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)NCc1ccco1)C(=O)[O-] ZINC000262788160 243337631 /nfs/dbraw/zinc/33/76/31/243337631.db2.gz KDIVWXGJSAXKMY-LBPRGKRZSA-N -1 0 368.390 -0.190 20 0 FBADRM O=C([O-])[C@@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)[C@H]1CCCOC1 ZINC000262788757 243337705 /nfs/dbraw/zinc/33/77/05/243337705.db2.gz MWGQCBPAPGUYEJ-AAEUAGOBSA-N -1 0 369.399 -0.520 20 0 FBADRM O=C([O-])[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)[C@@H]1CCCOC1 ZINC000262788758 243337403 /nfs/dbraw/zinc/33/74/03/243337403.db2.gz MWGQCBPAPGUYEJ-DGCLKSJQSA-N -1 0 369.399 -0.520 20 0 FBADRM O=C([O-])[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)[C@H]1CCCOC1 ZINC000262788759 243337481 /nfs/dbraw/zinc/33/74/81/243337481.db2.gz MWGQCBPAPGUYEJ-WCQYABFASA-N -1 0 369.399 -0.520 20 0 FBADRM O=C([O-])[C@@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)[C@@H]1CCCOC1 ZINC000262788760 243337977 /nfs/dbraw/zinc/33/79/77/243337977.db2.gz MWGQCBPAPGUYEJ-YPMHNXCESA-N -1 0 369.399 -0.520 20 0 FBADRM CC(C)C[C@H](NC(=O)CNC(=O)CC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC000262791148 243337290 /nfs/dbraw/zinc/33/72/90/243337290.db2.gz KPXNNDAUIRVUFI-NSHDSACASA-N -1 0 362.448 -0.067 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000262791262 243337142 /nfs/dbraw/zinc/33/71/42/243337142.db2.gz KRVRMQXWBLNSAL-UHFFFAOYSA-N -1 0 362.408 -0.403 20 0 FBADRM COc1ccc(C(=O)NCC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1OC ZINC000262794426 243336746 /nfs/dbraw/zinc/33/67/46/243336746.db2.gz QKRQPPUJAJMNAM-CYBMUJFWSA-N -1 0 352.343 -0.254 20 0 FBADRM COc1ccc(C(=O)NCC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1OC ZINC000262794433 243338125 /nfs/dbraw/zinc/33/81/25/243338125.db2.gz QKRQPPUJAJMNAM-ZDUSSCGKSA-N -1 0 352.343 -0.254 20 0 FBADRM CCO[C@@H]1C[C@](NC(=O)CCC(=O)NCCNC(C)=O)(C(=O)[O-])C1(C)C ZINC000262800619 243336197 /nfs/dbraw/zinc/33/61/97/243336197.db2.gz MILSFTDSEIULBT-PXAZEXFGSA-N -1 0 371.434 -0.207 20 0 FBADRM CCO[C@H]1C[C@](NC(=O)CCC(=O)NCCNC(C)=O)(C(=O)[O-])C1(C)C ZINC000262800621 243337043 /nfs/dbraw/zinc/33/70/43/243337043.db2.gz MILSFTDSEIULBT-SJCJKPOMSA-N -1 0 371.434 -0.207 20 0 FBADRM CCO[C@@H]1C[C@@](NC(=O)CCC(=O)NCCNC(C)=O)(C(=O)[O-])C1(C)C ZINC000262800623 535442390 /nfs/dbraw/zinc/44/23/90/535442390.db2.gz MILSFTDSEIULBT-SJKOYZFVSA-N -1 0 371.434 -0.207 20 0 FBADRM CCO[C@H]1C[C@@](NC(=O)CCC(=O)NCCNC(C)=O)(C(=O)[O-])C1(C)C ZINC000262800624 243336975 /nfs/dbraw/zinc/33/69/75/243336975.db2.gz MILSFTDSEIULBT-YVEFUNNKSA-N -1 0 371.434 -0.207 20 0 FBADRM CN(CC(=O)NCc1cn(CC(=O)[O-])nn1)S(=O)(=O)c1ccccc1 ZINC000262800642 243338268 /nfs/dbraw/zinc/33/82/68/243338268.db2.gz MIXKIXQGWDWFML-UHFFFAOYSA-N -1 0 367.387 -0.700 20 0 FBADRM C[C@@H]1Oc2ccccc2N(CC(=O)NCc2cn(CC(=O)[O-])nn2)C1=O ZINC000262813532 243337913 /nfs/dbraw/zinc/33/79/13/243337913.db2.gz OLKKOQOPLRCZBM-JTQLQIEISA-N -1 0 359.342 -0.207 20 0 FBADRM C[C@H]1Oc2ccccc2N(CC(=O)NCc2cn(CC(=O)[O-])nn2)C1=O ZINC000262813534 243337764 /nfs/dbraw/zinc/33/77/64/243337764.db2.gz OLKKOQOPLRCZBM-SNVBAGLBSA-N -1 0 359.342 -0.207 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CCO1 ZINC000262815685 243338160 /nfs/dbraw/zinc/33/81/60/243338160.db2.gz UYYQTKGESAAGNL-LLVKDONJSA-N -1 0 350.327 -0.153 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CCO1 ZINC000262815688 243337988 /nfs/dbraw/zinc/33/79/88/243337988.db2.gz UYYQTKGESAAGNL-NSHDSACASA-N -1 0 350.327 -0.153 20 0 FBADRM CC1CCC(NS(=O)(=O)CC(=O)NCc2cn(CC(=O)[O-])nn2)CC1 ZINC000262817136 243337390 /nfs/dbraw/zinc/33/73/90/243337390.db2.gz OZJFPPBGYNOIAG-UHFFFAOYSA-N -1 0 373.435 -0.523 20 0 FBADRM CNC(=O)CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000262820592 243337049 /nfs/dbraw/zinc/33/70/49/243337049.db2.gz WWXHZBVTKLPWHL-SECBINFHSA-N -1 0 373.387 -0.665 20 0 FBADRM CNC(=O)CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000262820595 243336768 /nfs/dbraw/zinc/33/67/68/243336768.db2.gz WWXHZBVTKLPWHL-VIFPVBQESA-N -1 0 373.387 -0.665 20 0 FBADRM O=C([O-])Cn1cc(CNC(=O)CCNS(=O)(=O)c2ccccc2)nn1 ZINC000262823309 243336327 /nfs/dbraw/zinc/33/63/27/243336327.db2.gz QBBRJXFQFSSEOW-UHFFFAOYSA-N -1 0 367.387 -0.653 20 0 FBADRM O=C([O-])C1(O)CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000262826101 243338318 /nfs/dbraw/zinc/33/83/18/243338318.db2.gz WSIVIWNRQWNLDT-UHFFFAOYSA-N -1 0 356.400 -0.207 20 0 FBADRM O=C([O-])CSCC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000262827078 243338063 /nfs/dbraw/zinc/33/80/63/243338063.db2.gz QNSKOODKXXOKLL-LLVKDONJSA-N -1 0 366.461 -0.543 20 0 FBADRM O=C([O-])CSCC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000262827079 243337878 /nfs/dbraw/zinc/33/78/78/243337878.db2.gz QNSKOODKXXOKLL-NSHDSACASA-N -1 0 366.461 -0.543 20 0 FBADRM Cn1c(=O)ccn(CC(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1=O ZINC000262828097 243340141 /nfs/dbraw/zinc/34/01/41/243340141.db2.gz FQLZNTFGCSTUMM-KGLIPLIRSA-N -1 0 357.366 -0.126 20 0 FBADRM Cn1c(=O)ccn(CC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1=O ZINC000262828099 243341191 /nfs/dbraw/zinc/34/11/91/243341191.db2.gz FQLZNTFGCSTUMM-UONOGXRCSA-N -1 0 357.366 -0.126 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2cn(CC(=O)[O-])nn2)C1 ZINC000262831632 243339354 /nfs/dbraw/zinc/33/93/54/243339354.db2.gz RNQCFDOWDJEETC-JTQLQIEISA-N -1 0 359.408 -0.959 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2cn(CC(=O)[O-])nn2)C1 ZINC000262831635 243339885 /nfs/dbraw/zinc/33/98/85/243339885.db2.gz RNQCFDOWDJEETC-SNVBAGLBSA-N -1 0 359.408 -0.959 20 0 FBADRM O=C([O-])Cn1cc(CNC(=O)CCN2C(=O)COc3ccccc32)nn1 ZINC000262833347 243340340 /nfs/dbraw/zinc/34/03/40/243340340.db2.gz RWWHZJFBYVRGRM-UHFFFAOYSA-N -1 0 359.342 -0.205 20 0 FBADRM O=C([O-])C1(O)CCN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000262834645 243340897 /nfs/dbraw/zinc/34/08/97/243340897.db2.gz YHVBTEZZZXSDHZ-UHFFFAOYSA-N -1 0 350.327 -0.417 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](C)C(=O)[O-] ZINC000262836813 536871608 /nfs/dbraw/zinc/87/16/08/536871608.db2.gz SOLMFUIAFALMLV-SNVBAGLBSA-N -1 0 372.399 -0.081 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000262841706 536643045 /nfs/dbraw/zinc/64/30/45/536643045.db2.gz CZSMZXZYFAUVKN-AWEZNQCLSA-N -1 0 350.437 -0.098 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000262841707 536642444 /nfs/dbraw/zinc/64/24/44/536642444.db2.gz CZSMZXZYFAUVKN-CQSZACIVSA-N -1 0 350.437 -0.098 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262843534 243341006 /nfs/dbraw/zinc/34/10/06/243341006.db2.gz UFXDVDMUSVSKOX-LLVKDONJSA-N -1 0 352.409 -0.967 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262843535 243340581 /nfs/dbraw/zinc/34/05/81/243340581.db2.gz UFXDVDMUSVSKOX-NSHDSACASA-N -1 0 352.409 -0.967 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC000262847190 536666336 /nfs/dbraw/zinc/66/63/36/536666336.db2.gz CTOJREANFLBBNJ-HNNXBMFYSA-N -1 0 369.399 -0.566 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC000262847191 536820155 /nfs/dbraw/zinc/82/01/55/536820155.db2.gz CTOJREANFLBBNJ-OAHLLOKOSA-N -1 0 369.399 -0.566 20 0 FBADRM O=C([O-])Cn1cc(CNC(=O)CNC(=O)c2ccc3c(c2)OCO3)nn1 ZINC000262847410 243339876 /nfs/dbraw/zinc/33/98/76/243339876.db2.gz WCFWABICKREKOV-UHFFFAOYSA-N -1 0 361.314 -0.862 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000262848100 243340635 /nfs/dbraw/zinc/34/06/35/243340635.db2.gz FOFPYQULPLTWAP-CYBMUJFWSA-N -1 0 366.399 -0.267 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000262848110 243339267 /nfs/dbraw/zinc/33/92/67/243339267.db2.gz FOFPYQULPLTWAP-ZDUSSCGKSA-N -1 0 366.399 -0.267 20 0 FBADRM Cc1oc(C(=O)NCc2cn(CC(=O)[O-])nn2)cc1S(=O)(=O)N(C)C ZINC000262849809 243340089 /nfs/dbraw/zinc/34/00/89/243340089.db2.gz WPCGEZPMVONLKN-UHFFFAOYSA-N -1 0 371.375 -0.556 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cn1 ZINC000262852095 243339837 /nfs/dbraw/zinc/33/98/37/243339837.db2.gz GKEVLWBZBUNNEU-CYBMUJFWSA-N -1 0 366.399 -0.490 20 0 FBADRM C[C@@H]1CN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)C[C@H](C(=O)[O-])O1 ZINC000262852171 243339031 /nfs/dbraw/zinc/33/90/31/243339031.db2.gz BZZQCZOXBDVOSC-NOZJJQNGSA-N -1 0 350.327 -0.154 20 0 FBADRM C[C@@H]1CN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)C[C@@H](C(=O)[O-])O1 ZINC000262852173 243339740 /nfs/dbraw/zinc/33/97/40/243339740.db2.gz BZZQCZOXBDVOSC-RNCFNFMXSA-N -1 0 350.327 -0.154 20 0 FBADRM O=C([O-])Cn1cc(CNC(=O)CCn2cnc3ccccc3c2=O)nn1 ZINC000262853398 243340862 /nfs/dbraw/zinc/34/08/62/243340862.db2.gz XNMSSDDQQCVLAJ-UHFFFAOYSA-N -1 0 356.342 -0.221 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000262853667 243339132 /nfs/dbraw/zinc/33/91/32/243339132.db2.gz GYNHGSDBLDLFNP-LBPRGKRZSA-N -1 0 366.399 -0.490 20 0 FBADRM CCOc1ccccc1C(=O)NCC(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000262854960 535492234 /nfs/dbraw/zinc/49/22/34/535492234.db2.gz XYHJQSGCBWJDIE-UHFFFAOYSA-N -1 0 361.358 -0.192 20 0 FBADRM O=C([O-])C1(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CCOCC1 ZINC000262856377 243340153 /nfs/dbraw/zinc/34/01/53/243340153.db2.gz USSOOSSYHCTENI-UHFFFAOYSA-N -1 0 369.399 -0.518 20 0 FBADRM Cc1ccc(-c2nnn(CC(=O)NCc3cn(CC(=O)[O-])nn3)n2)cc1 ZINC000262856920 243338860 /nfs/dbraw/zinc/33/88/60/243338860.db2.gz YINXXWQQZYFQAV-UHFFFAOYSA-N -1 0 356.346 -0.359 20 0 FBADRM Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000262858458 243340390 /nfs/dbraw/zinc/34/03/90/243340390.db2.gz YONUWKRDXPFAFU-AWEZNQCLSA-N -1 0 370.373 -0.242 20 0 FBADRM Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000262858461 243340878 /nfs/dbraw/zinc/34/08/78/243340878.db2.gz YONUWKRDXPFAFU-CQSZACIVSA-N -1 0 370.373 -0.242 20 0 FBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)[C@@H]1CCCCS1(=O)=O ZINC000262858768 243338839 /nfs/dbraw/zinc/33/88/39/243338839.db2.gz CXWQRTMRSXZTRB-NEPJUHHUSA-N -1 0 360.432 -0.265 20 0 FBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[C@H]1CCCCS1(=O)=O ZINC000262858781 243340959 /nfs/dbraw/zinc/34/09/59/243340959.db2.gz CXWQRTMRSXZTRB-NWDGAFQWSA-N -1 0 360.432 -0.265 20 0 FBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[C@@H]1CCCCS1(=O)=O ZINC000262858797 243340077 /nfs/dbraw/zinc/34/00/77/243340077.db2.gz CXWQRTMRSXZTRB-RYUDHWBXSA-N -1 0 360.432 -0.265 20 0 FBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)[C@H]1CCCCS1(=O)=O ZINC000262858809 243340040 /nfs/dbraw/zinc/34/00/40/243340040.db2.gz CXWQRTMRSXZTRB-VXGBXAGGSA-N -1 0 360.432 -0.265 20 0 FBADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC000262858956 243339216 /nfs/dbraw/zinc/33/92/16/243339216.db2.gz AFZPWJRBCBZLSO-GHMZBOCLSA-N -1 0 369.399 -0.425 20 0 FBADRM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC000262858959 243340148 /nfs/dbraw/zinc/34/01/48/243340148.db2.gz AFZPWJRBCBZLSO-MNOVXSKESA-N -1 0 369.399 -0.425 20 0 FBADRM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC000262858961 243340172 /nfs/dbraw/zinc/34/01/72/243340172.db2.gz AFZPWJRBCBZLSO-QWRGUYRKSA-N -1 0 369.399 -0.425 20 0 FBADRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC000262858965 536770034 /nfs/dbraw/zinc/77/00/34/536770034.db2.gz AFZPWJRBCBZLSO-WDEREUQCSA-N -1 0 369.399 -0.425 20 0 FBADRM COc1ccc(C(=O)NCC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1OC ZINC000262860673 243338795 /nfs/dbraw/zinc/33/87/95/243338795.db2.gz DDCHDIVJWYGCFA-INIZCTEOSA-N -1 0 352.343 -0.207 20 0 FBADRM COc1ccc(C(=O)NCC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1OC ZINC000262860674 243340811 /nfs/dbraw/zinc/34/08/11/243340811.db2.gz DDCHDIVJWYGCFA-MRXNPFEDSA-N -1 0 352.343 -0.207 20 0 FBADRM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000262861928 243338931 /nfs/dbraw/zinc/33/89/31/243338931.db2.gz ZNXGZYYHOCHHDF-GFCCVEGCSA-N -1 0 373.435 -0.427 20 0 FBADRM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000262861929 535333976 /nfs/dbraw/zinc/33/39/76/535333976.db2.gz ZNXGZYYHOCHHDF-LBPRGKRZSA-N -1 0 373.435 -0.427 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)NCCc1ccc(OCC(=O)[O-])cc1 ZINC000262862638 534329510 /nfs/dbraw/zinc/32/95/10/534329510.db2.gz WQJOXRSSFXFHDJ-UHFFFAOYSA-N -1 0 351.359 -0.939 20 0 FBADRM COc1ccc(C(=O)NC[C@@H](OC)C(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000262871062 536741856 /nfs/dbraw/zinc/74/18/56/536741856.db2.gz JCIXHFPYXKLZTL-LLVKDONJSA-N -1 0 360.388 -0.225 20 0 FBADRM COc1ccc(C(=O)NC[C@H](OC)C(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000262871083 536748295 /nfs/dbraw/zinc/74/82/95/536748295.db2.gz JCIXHFPYXKLZTL-NSHDSACASA-N -1 0 360.388 -0.225 20 0 FBADRM CC(C)[C@H](NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000262871444 243340787 /nfs/dbraw/zinc/34/07/87/243340787.db2.gz JGGZINKWLPKOAA-JTQLQIEISA-N -1 0 351.363 -0.951 20 0 FBADRM CC(C)[C@@H](NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000262871448 243339223 /nfs/dbraw/zinc/33/92/23/243339223.db2.gz JGGZINKWLPKOAA-SNVBAGLBSA-N -1 0 351.363 -0.951 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)NCc1nc(C(=O)[O-])cs1 ZINC000262876418 243340593 /nfs/dbraw/zinc/34/05/93/243340593.db2.gz YKPKERZEZLBLKI-UHFFFAOYSA-N -1 0 365.433 -0.198 20 0 FBADRM Cc1cc(C(=O)N2CCO[C@H](CN(CC(=O)[O-])S(C)(=O)=O)C2)no1 ZINC000262876934 243340568 /nfs/dbraw/zinc/34/05/68/243340568.db2.gz DTEYTUKMFQHPDB-JTQLQIEISA-N -1 0 361.376 -0.830 20 0 FBADRM Cc1cc(C(=O)N2CCO[C@@H](CN(CC(=O)[O-])S(C)(=O)=O)C2)no1 ZINC000262876935 243341112 /nfs/dbraw/zinc/34/11/12/243341112.db2.gz DTEYTUKMFQHPDB-SNVBAGLBSA-N -1 0 361.376 -0.830 20 0 FBADRM CN(CC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1)S(=O)(=O)c1cccnc1 ZINC000262879680 243341176 /nfs/dbraw/zinc/34/11/76/243341176.db2.gz VUPWBZKYBZLUFE-BXUZGUMPSA-N -1 0 371.415 -0.302 20 0 FBADRM CN(CC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1)S(=O)(=O)c1cccnc1 ZINC000262879683 243340929 /nfs/dbraw/zinc/34/09/29/243340929.db2.gz VUPWBZKYBZLUFE-FZMZJTMJSA-N -1 0 371.415 -0.302 20 0 FBADRM CN(CC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1)S(=O)(=O)c1cccnc1 ZINC000262879685 243340825 /nfs/dbraw/zinc/34/08/25/243340825.db2.gz VUPWBZKYBZLUFE-RISCZKNCSA-N -1 0 371.415 -0.302 20 0 FBADRM CN(CC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1)S(=O)(=O)c1cccnc1 ZINC000262879687 243340109 /nfs/dbraw/zinc/34/01/09/243340109.db2.gz VUPWBZKYBZLUFE-SMDDNHRTSA-N -1 0 371.415 -0.302 20 0 FBADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000262883547 243340543 /nfs/dbraw/zinc/34/05/43/243340543.db2.gz MAOVCJFELGABID-JTQLQIEISA-N -1 0 371.415 -0.284 20 0 FBADRM C[C@H](C(=O)[O-])N(C)C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000262883553 243341200 /nfs/dbraw/zinc/34/12/00/243341200.db2.gz MAOVCJFELGABID-SNVBAGLBSA-N -1 0 371.415 -0.284 20 0 FBADRM CN(CC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1)S(C)(=O)=O ZINC000262888448 243341043 /nfs/dbraw/zinc/34/10/43/243341043.db2.gz ZWDCSIACQKJZNS-UHFFFAOYSA-N -1 0 364.401 -0.382 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CCO1 ZINC000262889215 243340081 /nfs/dbraw/zinc/34/00/81/243340081.db2.gz ZXLIYNFNYYQDQV-LLVKDONJSA-N -1 0 361.354 -0.218 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CCO1 ZINC000262889216 243341153 /nfs/dbraw/zinc/34/11/53/243341153.db2.gz ZXLIYNFNYYQDQV-NSHDSACASA-N -1 0 361.354 -0.218 20 0 FBADRM CC(C)C[C@H](NC(=O)CNC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000262889644 535319905 /nfs/dbraw/zinc/31/99/05/535319905.db2.gz AFTOENJUZKDUEB-AWEZNQCLSA-N -1 0 374.401 -0.064 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](OC)C(=O)[O-])cc1 ZINC000262890510 243340798 /nfs/dbraw/zinc/34/07/98/243340798.db2.gz NPCYONKGRZHKJR-GFCCVEGCSA-N -1 0 360.388 -0.559 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](OC)C(=O)[O-])cc1 ZINC000262890511 243340666 /nfs/dbraw/zinc/34/06/66/243340666.db2.gz NPCYONKGRZHKJR-LBPRGKRZSA-N -1 0 360.388 -0.559 20 0 FBADRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000262892355 243340189 /nfs/dbraw/zinc/34/01/89/243340189.db2.gz NYFKKYMKGTYOKW-UHFFFAOYSA-N -1 0 361.376 -0.584 20 0 FBADRM CS(=O)(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)c2cscn2)CCO1 ZINC000262901237 243338814 /nfs/dbraw/zinc/33/88/14/243338814.db2.gz IDYASGXKQBLFDW-SECBINFHSA-N -1 0 363.417 -0.670 20 0 FBADRM CS(=O)(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)c2cscn2)CCO1 ZINC000262901241 243339788 /nfs/dbraw/zinc/33/97/88/243339788.db2.gz IDYASGXKQBLFDW-VIFPVBQESA-N -1 0 363.417 -0.670 20 0 FBADRM CCN1C(=O)c2ccc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2S1(=O)=O ZINC000262903734 243340206 /nfs/dbraw/zinc/34/02/06/243340206.db2.gz BRGARVHIONBAKN-LLVKDONJSA-N -1 0 368.367 -0.223 20 0 FBADRM CCN1C(=O)c2ccc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2S1(=O)=O ZINC000262903738 243339517 /nfs/dbraw/zinc/33/95/17/243339517.db2.gz BRGARVHIONBAKN-NSHDSACASA-N -1 0 368.367 -0.223 20 0 FBADRM CN(CCC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000262906603 536311346 /nfs/dbraw/zinc/31/13/46/536311346.db2.gz CATRKVLRTIEESM-JTQLQIEISA-N -1 0 369.399 -0.380 20 0 FBADRM CN(CCC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000262906608 536311291 /nfs/dbraw/zinc/31/12/91/536311291.db2.gz CATRKVLRTIEESM-SNVBAGLBSA-N -1 0 369.399 -0.380 20 0 FBADRM Cc1nn(C)c(=O)c(C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000262915073 243340231 /nfs/dbraw/zinc/34/02/31/243340231.db2.gz HZWLSIWXTJKJHQ-GFCCVEGCSA-N -1 0 364.402 -0.208 20 0 FBADRM Cc1nn(C)c(=O)c(C(=O)N(C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)c1C ZINC000262915076 243339934 /nfs/dbraw/zinc/33/99/34/243339934.db2.gz HZWLSIWXTJKJHQ-LBPRGKRZSA-N -1 0 364.402 -0.208 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000262917955 243340746 /nfs/dbraw/zinc/34/07/46/243340746.db2.gz USASZGGIHBPRGN-CYBMUJFWSA-N -1 0 355.416 -0.286 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000262917956 243339716 /nfs/dbraw/zinc/33/97/16/243339716.db2.gz USASZGGIHBPRGN-ZDUSSCGKSA-N -1 0 355.416 -0.286 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000262920359 243339527 /nfs/dbraw/zinc/33/95/27/243339527.db2.gz IPJPTONVNNTTJM-UHFFFAOYSA-N -1 0 366.436 -0.672 20 0 FBADRM CCNS(=O)(=O)c1ccc(CC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000262921782 243339731 /nfs/dbraw/zinc/33/97/31/243339731.db2.gz IQSRBAJNZBDRNM-HNNXBMFYSA-N -1 0 356.400 -0.113 20 0 FBADRM CCNS(=O)(=O)c1ccc(CC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000262921784 243339187 /nfs/dbraw/zinc/33/91/87/243339187.db2.gz IQSRBAJNZBDRNM-OAHLLOKOSA-N -1 0 356.400 -0.113 20 0 FBADRM CC(C)(NS(C)(=O)=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000262923178 535253864 /nfs/dbraw/zinc/25/38/64/535253864.db2.gz FELLRWXJOFHKAD-UHFFFAOYSA-N -1 0 371.415 -0.304 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000262933193 243343885 /nfs/dbraw/zinc/34/38/85/243343885.db2.gz YAOMWWDRYOFEKX-ZDUSSCGKSA-N -1 0 358.416 -0.246 20 0 FBADRM Cn1c2ncn(CC(=O)NC(C)(C)CCC(=O)[O-])c2c(=O)n(C)c1=O ZINC000262935983 243341732 /nfs/dbraw/zinc/34/17/32/243341732.db2.gz YLQQTSDHBFZXSV-UHFFFAOYSA-N -1 0 351.363 -0.807 20 0 FBADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000262940502 243343665 /nfs/dbraw/zinc/34/36/65/243343665.db2.gz ZORCMTILRMTSPN-JTQLQIEISA-N -1 0 369.399 -0.648 20 0 FBADRM C[C@H](C(=O)[O-])N(C)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000262940503 243343733 /nfs/dbraw/zinc/34/37/33/243343733.db2.gz ZORCMTILRMTSPN-SNVBAGLBSA-N -1 0 369.399 -0.648 20 0 FBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)CS(=O)(=O)C(C)(C)C ZINC000262942663 243343486 /nfs/dbraw/zinc/34/34/86/243343486.db2.gz LPGFKFYMDYEQSZ-LLVKDONJSA-N -1 0 362.448 -0.019 20 0 FBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)CS(=O)(=O)C(C)(C)C ZINC000262942671 243341599 /nfs/dbraw/zinc/34/15/99/243341599.db2.gz LPGFKFYMDYEQSZ-NSHDSACASA-N -1 0 362.448 -0.019 20 0 FBADRM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)[O-] ZINC000262952217 535800539 /nfs/dbraw/zinc/80/05/39/535800539.db2.gz IWBQDMMLLFJCHC-GFCCVEGCSA-N -1 0 369.399 -0.600 20 0 FBADRM CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)[O-] ZINC000262952219 535879409 /nfs/dbraw/zinc/87/94/09/535879409.db2.gz IWBQDMMLLFJCHC-LBPRGKRZSA-N -1 0 369.399 -0.600 20 0 FBADRM CN(CC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1)S(C)(=O)=O ZINC000262953921 243342324 /nfs/dbraw/zinc/34/23/24/243342324.db2.gz JHADPSHXKUSQMA-UHFFFAOYSA-N -1 0 357.388 -0.740 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000262955223 243343741 /nfs/dbraw/zinc/34/37/41/243343741.db2.gz JIONHDATSSRFND-PSASIEDQSA-N -1 0 360.436 -0.117 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000262955239 243343796 /nfs/dbraw/zinc/34/37/96/243343796.db2.gz JIONHDATSSRFND-SCZZXKLOSA-N -1 0 360.436 -0.117 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000262955247 243342703 /nfs/dbraw/zinc/34/27/03/243342703.db2.gz JIONHDATSSRFND-WCBMZHEXSA-N -1 0 360.436 -0.117 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000262955255 243342104 /nfs/dbraw/zinc/34/21/04/243342104.db2.gz JIONHDATSSRFND-WPRPVWTQSA-N -1 0 360.436 -0.117 20 0 FBADRM CN(CC(=O)N[C@]1(C(=O)[O-])CCSC1)S(=O)(=O)c1cccnc1 ZINC000262956529 243342157 /nfs/dbraw/zinc/34/21/57/243342157.db2.gz NMFNRDJAITYOLT-CYBMUJFWSA-N -1 0 359.429 -0.221 20 0 FBADRM CN(CC(=O)N[C@@]1(C(=O)[O-])CCSC1)S(=O)(=O)c1cccnc1 ZINC000262956531 243342784 /nfs/dbraw/zinc/34/27/84/243342784.db2.gz NMFNRDJAITYOLT-ZDUSSCGKSA-N -1 0 359.429 -0.221 20 0 FBADRM Cc1cc(C(=O)N2CCO[C@H](CN(CC(=O)[O-])S(C)(=O)=O)C2)on1 ZINC000262958616 243342920 /nfs/dbraw/zinc/34/29/20/243342920.db2.gz PUVNJLQYISGGSK-JTQLQIEISA-N -1 0 361.376 -0.830 20 0 FBADRM Cc1cc(C(=O)N2CCO[C@@H](CN(CC(=O)[O-])S(C)(=O)=O)C2)on1 ZINC000262958629 243344015 /nfs/dbraw/zinc/34/40/15/243344015.db2.gz PUVNJLQYISGGSK-SNVBAGLBSA-N -1 0 361.376 -0.830 20 0 FBADRM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000262968421 243343569 /nfs/dbraw/zinc/34/35/69/243343569.db2.gz PFLROOPCJOUPLL-GHMZBOCLSA-N -1 0 350.327 -0.154 20 0 FBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000262968424 536760678 /nfs/dbraw/zinc/76/06/78/536760678.db2.gz PFLROOPCJOUPLL-MNOVXSKESA-N -1 0 350.327 -0.154 20 0 FBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000262968426 243342954 /nfs/dbraw/zinc/34/29/54/243342954.db2.gz PFLROOPCJOUPLL-QWRGUYRKSA-N -1 0 350.327 -0.154 20 0 FBADRM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000262968429 536818087 /nfs/dbraw/zinc/81/80/87/536818087.db2.gz PFLROOPCJOUPLL-WDEREUQCSA-N -1 0 350.327 -0.154 20 0 FBADRM CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)[O-] ZINC000262969320 535798124 /nfs/dbraw/zinc/79/81/24/535798124.db2.gz LHSVNQOTRHRQFS-BXKDBHETSA-N -1 0 369.399 -0.334 20 0 FBADRM CC[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)[O-] ZINC000262969321 535848550 /nfs/dbraw/zinc/84/85/50/535848550.db2.gz LHSVNQOTRHRQFS-CABZTGNLSA-N -1 0 369.399 -0.334 20 0 FBADRM CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)[O-] ZINC000262969322 243343623 /nfs/dbraw/zinc/34/36/23/243343623.db2.gz LHSVNQOTRHRQFS-JOYOIKCWSA-N -1 0 369.399 -0.334 20 0 FBADRM CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)[O-] ZINC000262969323 535829100 /nfs/dbraw/zinc/82/91/00/535829100.db2.gz LHSVNQOTRHRQFS-SKDRFNHKSA-N -1 0 369.399 -0.334 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000262972714 243342455 /nfs/dbraw/zinc/34/24/55/243342455.db2.gz LZFGQNBXNZPILP-HLUHBDAQSA-N -1 0 372.447 -0.117 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000262972716 243343123 /nfs/dbraw/zinc/34/31/23/243343123.db2.gz LZFGQNBXNZPILP-UBHAPETDSA-N -1 0 372.447 -0.117 20 0 FBADRM C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccnc2)C[C@@H](C(=O)[O-])O1 ZINC000262974644 243342802 /nfs/dbraw/zinc/34/28/02/243342802.db2.gz QEJVEKQXHHWWDA-PWSUYJOCSA-N -1 0 357.388 -0.597 20 0 FBADRM C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccnc2)C[C@H](C(=O)[O-])O1 ZINC000262974647 243343254 /nfs/dbraw/zinc/34/32/54/243343254.db2.gz QEJVEKQXHHWWDA-ZYHUDNBSSA-N -1 0 357.388 -0.597 20 0 FBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)CC(=O)NCC(F)(F)F ZINC000262978729 243343719 /nfs/dbraw/zinc/34/37/19/243343719.db2.gz QUAMGZXVEYNASM-SECBINFHSA-N -1 0 367.324 -0.163 20 0 FBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)CC(=O)NCC(F)(F)F ZINC000262978731 243343949 /nfs/dbraw/zinc/34/39/49/243343949.db2.gz QUAMGZXVEYNASM-VIFPVBQESA-N -1 0 367.324 -0.163 20 0 FBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)CS(=O)(=O)C(C)(C)C ZINC000262979843 243343398 /nfs/dbraw/zinc/34/33/98/243343398.db2.gz QXGLRVQDIYPXEK-UHFFFAOYSA-N -1 0 362.448 -0.019 20 0 FBADRM Cc1ccc(C(=O)N2CCO[C@@H](CN(CC(=O)[O-])S(C)(=O)=O)C2)cn1 ZINC000262984807 243341947 /nfs/dbraw/zinc/34/19/47/243341947.db2.gz URCZZGYSQQUWMP-CYBMUJFWSA-N -1 0 371.415 -0.423 20 0 FBADRM Cc1ccc(C(=O)N2CCO[C@H](CN(CC(=O)[O-])S(C)(=O)=O)C2)cn1 ZINC000262984819 243342131 /nfs/dbraw/zinc/34/21/31/243342131.db2.gz URCZZGYSQQUWMP-ZDUSSCGKSA-N -1 0 371.415 -0.423 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000262985049 536617402 /nfs/dbraw/zinc/61/74/02/536617402.db2.gz RPAPDOOMCSBWDF-AWEZNQCLSA-N -1 0 359.404 -0.302 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000262985051 243342146 /nfs/dbraw/zinc/34/21/46/243342146.db2.gz RPAPDOOMCSBWDF-CQSZACIVSA-N -1 0 359.404 -0.302 20 0 FBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)CN2CSCC2=O)cc1 ZINC000262986601 243341750 /nfs/dbraw/zinc/34/17/50/243341750.db2.gz NTWKDUCCTYMXJZ-UHFFFAOYSA-N -1 0 351.384 -0.099 20 0 FBADRM COc1ncnc(OC)c1C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000262987131 536905686 /nfs/dbraw/zinc/90/56/86/536905686.db2.gz RWFKUUJLQSGCFA-JTQLQIEISA-N -1 0 366.374 -0.111 20 0 FBADRM COc1ncnc(OC)c1C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262987132 536905242 /nfs/dbraw/zinc/90/52/42/536905242.db2.gz RWFKUUJLQSGCFA-SNVBAGLBSA-N -1 0 366.374 -0.111 20 0 FBADRM C[C@@H](CC(=O)[O-])NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000262988194 243341930 /nfs/dbraw/zinc/34/19/30/243341930.db2.gz OBMZVPKWVNJNRI-JTQLQIEISA-N -1 0 371.415 -0.236 20 0 FBADRM C[C@H](CC(=O)[O-])NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000262988196 243342138 /nfs/dbraw/zinc/34/21/38/243342138.db2.gz OBMZVPKWVNJNRI-SNVBAGLBSA-N -1 0 371.415 -0.236 20 0 FBADRM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CN(C)S(=O)(=O)c2cccnc2)C1 ZINC000262988672 536818116 /nfs/dbraw/zinc/81/81/16/536818116.db2.gz SEZLATPIJURTEP-CMPLNLGQSA-N -1 0 357.388 -0.597 20 0 FBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CN(C)S(=O)(=O)c2cccnc2)C1 ZINC000262988674 243342228 /nfs/dbraw/zinc/34/22/28/243342228.db2.gz SEZLATPIJURTEP-JQWIXIFHSA-N -1 0 357.388 -0.597 20 0 FBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CN(C)S(=O)(=O)c2cccnc2)C1 ZINC000262988675 536761398 /nfs/dbraw/zinc/76/13/98/536761398.db2.gz SEZLATPIJURTEP-PWSUYJOCSA-N -1 0 357.388 -0.597 20 0 FBADRM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CN(C)S(=O)(=O)c2cccnc2)C1 ZINC000262988676 243344001 /nfs/dbraw/zinc/34/40/01/243344001.db2.gz SEZLATPIJURTEP-ZYHUDNBSSA-N -1 0 357.388 -0.597 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CCO1 ZINC000262999798 243343147 /nfs/dbraw/zinc/34/31/47/243343147.db2.gz PPOWWQQTVNIDLV-GFCCVEGCSA-N -1 0 360.363 -0.194 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CCO1 ZINC000262999799 243341785 /nfs/dbraw/zinc/34/17/85/243341785.db2.gz PPOWWQQTVNIDLV-LBPRGKRZSA-N -1 0 360.363 -0.194 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1OC ZINC000262999819 243343233 /nfs/dbraw/zinc/34/32/33/243343233.db2.gz PQVWUOIVYYWEPZ-LLVKDONJSA-N -1 0 358.372 -0.471 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1OC ZINC000262999820 243342468 /nfs/dbraw/zinc/34/24/68/243342468.db2.gz PQVWUOIVYYWEPZ-NSHDSACASA-N -1 0 358.372 -0.471 20 0 FBADRM O=C([O-])C[C@@]1(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)CCOC1 ZINC000263003566 243342639 /nfs/dbraw/zinc/34/26/39/243342639.db2.gz PCBNRYIHGZQEIH-INIZCTEOSA-N -1 0 350.327 -0.105 20 0 FBADRM O=C([O-])C[C@]1(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)CCOC1 ZINC000263003567 243343454 /nfs/dbraw/zinc/34/34/54/243343454.db2.gz PCBNRYIHGZQEIH-MRXNPFEDSA-N -1 0 350.327 -0.105 20 0 FBADRM O=C([O-])C1(CNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CCOCC1 ZINC000263004905 243343293 /nfs/dbraw/zinc/34/32/93/243343293.db2.gz VQTSICQTJMBYBF-UHFFFAOYSA-N -1 0 369.399 -0.518 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)C1 ZINC000263005579 536667117 /nfs/dbraw/zinc/66/71/17/536667117.db2.gz MRJRIWLKRJJLIS-DOMZBBRYSA-N -1 0 362.448 -0.004 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)C1 ZINC000263005581 243343155 /nfs/dbraw/zinc/34/31/55/243343155.db2.gz MRJRIWLKRJJLIS-IUODEOHRSA-N -1 0 362.448 -0.004 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@H](C(C)C)N2CCCS2(=O)=O)C1 ZINC000263005583 243343555 /nfs/dbraw/zinc/34/35/55/243343555.db2.gz MRJRIWLKRJJLIS-SWLSCSKDSA-N -1 0 362.448 -0.004 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@H](C(C)C)N2CCCS2(=O)=O)C1 ZINC000263005585 536669083 /nfs/dbraw/zinc/66/90/83/536669083.db2.gz MRJRIWLKRJJLIS-WFASDCNBSA-N -1 0 362.448 -0.004 20 0 FBADRM CS(=O)(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)C[C@H]2CCCO2)CCO1 ZINC000263010326 243344043 /nfs/dbraw/zinc/34/40/43/243344043.db2.gz YNKDWOWMBPKSAL-NEPJUHHUSA-N -1 0 364.420 -0.871 20 0 FBADRM CS(=O)(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)C[C@H]2CCCO2)CCO1 ZINC000263010330 243342498 /nfs/dbraw/zinc/34/24/98/243342498.db2.gz YNKDWOWMBPKSAL-VXGBXAGGSA-N -1 0 364.420 -0.871 20 0 FBADRM CCS(=O)(=O)N1CCC(N(CC(=O)[O-])C(=O)c2ccnn2C)CC1 ZINC000263014430 243342532 /nfs/dbraw/zinc/34/25/32/243342532.db2.gz ZBJKNEBGIHGVED-UHFFFAOYSA-N -1 0 358.420 -0.239 20 0 FBADRM O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NC1(C(=O)[O-])CCOCC1 ZINC000263015566 243342006 /nfs/dbraw/zinc/34/20/06/243342006.db2.gz SOSHXJTVHVJBCV-UHFFFAOYSA-N -1 0 361.354 -0.170 20 0 FBADRM Cc1[nH]ccc1C(=O)N1CCO[C@@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000263015924 243342306 /nfs/dbraw/zinc/34/23/06/243342306.db2.gz ZJLJGMQXWXSREZ-LLVKDONJSA-N -1 0 359.404 -0.490 20 0 FBADRM Cc1[nH]ccc1C(=O)N1CCO[C@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000263015925 243343941 /nfs/dbraw/zinc/34/39/41/243343941.db2.gz ZJLJGMQXWXSREZ-NSHDSACASA-N -1 0 359.404 -0.490 20 0 FBADRM CSCCC(=O)N1CCO[C@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000263017542 243342241 /nfs/dbraw/zinc/34/22/41/243342241.db2.gz ZNOYTSHQNPAWIE-JTQLQIEISA-N -1 0 354.450 -0.687 20 0 FBADRM CSCCC(=O)N1CCO[C@@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000263017555 243344036 /nfs/dbraw/zinc/34/40/36/243344036.db2.gz ZNOYTSHQNPAWIE-SNVBAGLBSA-N -1 0 354.450 -0.687 20 0 FBADRM CCS(=O)(=O)N1CCC(N(CC(=O)[O-])C(=O)Cc2ccon2)CC1 ZINC000263017594 243343690 /nfs/dbraw/zinc/34/36/90/243343690.db2.gz ZNSHBSPLVHZAEQ-UHFFFAOYSA-N -1 0 359.404 -0.056 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@](COC)(C(=O)[O-])C1 ZINC000263019408 243341689 /nfs/dbraw/zinc/34/16/89/243341689.db2.gz XXIUZQBVHJGCGA-AWEZNQCLSA-N -1 0 350.437 -0.002 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@](COC)(C(=O)[O-])C1 ZINC000263019409 243343995 /nfs/dbraw/zinc/34/39/95/243343995.db2.gz XXIUZQBVHJGCGA-CQSZACIVSA-N -1 0 350.437 -0.002 20 0 FBADRM CC(C)(CCNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)C(=O)[O-] ZINC000263020016 535037384 /nfs/dbraw/zinc/03/73/84/535037384.db2.gz DWXZPEFGBCIJCG-UHFFFAOYSA-N -1 0 361.376 -0.726 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](C)C(=O)[O-] ZINC000263021349 536871588 /nfs/dbraw/zinc/87/15/88/536871588.db2.gz SOLMFUIAFALMLV-JTQLQIEISA-N -1 0 372.399 -0.081 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CCC(C(=O)[O-])CC2)cn1C ZINC000263021651 243342197 /nfs/dbraw/zinc/34/21/97/243342197.db2.gz ASIAGGDTAFMUDV-UHFFFAOYSA-N -1 0 358.420 -0.280 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000263023355 243342318 /nfs/dbraw/zinc/34/23/18/243342318.db2.gz SUGYONDJJIMPKK-GXSJLCMTSA-N -1 0 374.419 -0.984 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000263023356 243342270 /nfs/dbraw/zinc/34/22/70/243342270.db2.gz SUGYONDJJIMPKK-KOLCDFICSA-N -1 0 374.419 -0.984 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000263023357 243342254 /nfs/dbraw/zinc/34/22/54/243342254.db2.gz SUGYONDJJIMPKK-MWLCHTKSSA-N -1 0 374.419 -0.984 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000263023358 243343519 /nfs/dbraw/zinc/34/35/19/243343519.db2.gz SUGYONDJJIMPKK-ONGXEEELSA-N -1 0 374.419 -0.984 20 0 FBADRM CCN1C(=O)c2ccc(C(=O)NC[C@H](OC)C(=O)[O-])cc2S1(=O)=O ZINC000263027949 243343280 /nfs/dbraw/zinc/34/32/80/243343280.db2.gz BUEWHPBWEAHOKZ-JTQLQIEISA-N -1 0 356.356 -0.320 20 0 FBADRM CCN1C(=O)c2ccc(C(=O)NC[C@@H](OC)C(=O)[O-])cc2S1(=O)=O ZINC000263027960 243343536 /nfs/dbraw/zinc/34/35/36/243343536.db2.gz BUEWHPBWEAHOKZ-SNVBAGLBSA-N -1 0 356.356 -0.320 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000263028858 243343191 /nfs/dbraw/zinc/34/31/91/243343191.db2.gz UHTOTFDPKRTOEB-CYBMUJFWSA-N -1 0 372.399 -0.463 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000263028862 243343340 /nfs/dbraw/zinc/34/33/40/243343340.db2.gz UHTOTFDPKRTOEB-ZDUSSCGKSA-N -1 0 372.399 -0.463 20 0 FBADRM COC[C@H](NC(=O)[C@H](Cc1cccc(OC)c1)n1nnnc1C)C(=O)[O-] ZINC000263029543 243341768 /nfs/dbraw/zinc/34/17/68/243341768.db2.gz QTCFWDAWIVFKHX-KBPBESRZSA-N -1 0 363.374 -0.010 20 0 FBADRM COC[C@@H](NC(=O)[C@H](Cc1cccc(OC)c1)n1nnnc1C)C(=O)[O-] ZINC000263029545 536709645 /nfs/dbraw/zinc/70/96/45/536709645.db2.gz QTCFWDAWIVFKHX-KGLIPLIRSA-N -1 0 363.374 -0.010 20 0 FBADRM COC[C@H](NC(=O)[C@@H](Cc1cccc(OC)c1)n1nnnc1C)C(=O)[O-] ZINC000263029549 243343392 /nfs/dbraw/zinc/34/33/92/243343392.db2.gz QTCFWDAWIVFKHX-UONOGXRCSA-N -1 0 363.374 -0.010 20 0 FBADRM COC[C@@H](NC(=O)[C@@H](Cc1cccc(OC)c1)n1nnnc1C)C(=O)[O-] ZINC000263029551 243343783 /nfs/dbraw/zinc/34/37/83/243343783.db2.gz QTCFWDAWIVFKHX-ZIAGYGMSSA-N -1 0 363.374 -0.010 20 0 FBADRM CNC(=O)c1ccc(C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1 ZINC000263030144 243343001 /nfs/dbraw/zinc/34/30/01/243343001.db2.gz ZJGBKDLCEWTDAJ-GFCCVEGCSA-N -1 0 362.386 -0.164 20 0 FBADRM CNC(=O)c1ccc(C(=O)N(C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)cn1 ZINC000263030148 243344049 /nfs/dbraw/zinc/34/40/49/243344049.db2.gz ZJGBKDLCEWTDAJ-LBPRGKRZSA-N -1 0 362.386 -0.164 20 0 FBADRM NC(=O)c1cccc(CCNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000263030364 243341828 /nfs/dbraw/zinc/34/18/28/243341828.db2.gz GWFXMQLOSPYDBM-GFCCVEGCSA-N -1 0 369.399 -0.779 20 0 FBADRM NC(=O)c1cccc(CCNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000263030367 243342830 /nfs/dbraw/zinc/34/28/30/243342830.db2.gz GWFXMQLOSPYDBM-LBPRGKRZSA-N -1 0 369.399 -0.779 20 0 FBADRM O=C([O-])C[C@@]1(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CCOC1 ZINC000263035684 243342475 /nfs/dbraw/zinc/34/24/75/243342475.db2.gz REQFVSPXIAVTSP-KRWDZBQOSA-N -1 0 361.354 -0.170 20 0 FBADRM O=C([O-])C[C@]1(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CCOC1 ZINC000263035686 243342602 /nfs/dbraw/zinc/34/26/02/243342602.db2.gz REQFVSPXIAVTSP-QGZVFWFLSA-N -1 0 361.354 -0.170 20 0 FBADRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000263035779 243341889 /nfs/dbraw/zinc/34/18/89/243341889.db2.gz UZWDFBCFSDESNW-JTQLQIEISA-N -1 0 369.399 -0.600 20 0 FBADRM C[C@H](CC(=O)[O-])NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000263035781 243343225 /nfs/dbraw/zinc/34/32/25/243343225.db2.gz UZWDFBCFSDESNW-SNVBAGLBSA-N -1 0 369.399 -0.600 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](OC)C(=O)[O-])c1 ZINC000263039757 243341855 /nfs/dbraw/zinc/34/18/55/243341855.db2.gz DNGZHRQIZJIBKI-CYBMUJFWSA-N -1 0 374.415 -0.251 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](OC)C(=O)[O-])c1 ZINC000263039760 243342487 /nfs/dbraw/zinc/34/24/87/243342487.db2.gz DNGZHRQIZJIBKI-ZDUSSCGKSA-N -1 0 374.415 -0.251 20 0 FBADRM COc1cccc(C[C@@H](C(=O)NC[C@H](OC)C(=O)[O-])n2nnnc2C)c1 ZINC000263043342 243342571 /nfs/dbraw/zinc/34/25/71/243342571.db2.gz DWLKSUXTKRNMER-KBPBESRZSA-N -1 0 363.374 -0.010 20 0 FBADRM COc1cccc(C[C@H](C(=O)NC[C@H](OC)C(=O)[O-])n2nnnc2C)c1 ZINC000263043345 243341579 /nfs/dbraw/zinc/34/15/79/243341579.db2.gz DWLKSUXTKRNMER-KGLIPLIRSA-N -1 0 363.374 -0.010 20 0 FBADRM COc1cccc(C[C@@H](C(=O)NC[C@@H](OC)C(=O)[O-])n2nnnc2C)c1 ZINC000263043348 243345459 /nfs/dbraw/zinc/34/54/59/243345459.db2.gz DWLKSUXTKRNMER-UONOGXRCSA-N -1 0 363.374 -0.010 20 0 FBADRM COc1cccc(C[C@H](C(=O)NC[C@@H](OC)C(=O)[O-])n2nnnc2C)c1 ZINC000263043351 243346410 /nfs/dbraw/zinc/34/64/10/243346410.db2.gz DWLKSUXTKRNMER-ZIAGYGMSSA-N -1 0 363.374 -0.010 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000263049050 243346970 /nfs/dbraw/zinc/34/69/70/243346970.db2.gz WSOFLWIDFAKDKT-CYBMUJFWSA-N -1 0 372.399 -0.463 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000263049056 243344891 /nfs/dbraw/zinc/34/48/91/243344891.db2.gz WSOFLWIDFAKDKT-ZDUSSCGKSA-N -1 0 372.399 -0.463 20 0 FBADRM CCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H](OC)C(=O)[O-])cc1 ZINC000263052069 535394881 /nfs/dbraw/zinc/39/48/81/535394881.db2.gz GGTIGMDMTWRSHI-CYBMUJFWSA-N -1 0 374.415 -0.031 20 0 FBADRM CCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@H](OC)C(=O)[O-])cc1 ZINC000263052070 535394361 /nfs/dbraw/zinc/39/43/61/535394361.db2.gz GGTIGMDMTWRSHI-ZDUSSCGKSA-N -1 0 374.415 -0.031 20 0 FBADRM C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)[C@@H]1C(=O)[O-] ZINC000263054544 243346658 /nfs/dbraw/zinc/34/66/58/243346658.db2.gz LOAQALSCUXRHRL-PELKAZGASA-N -1 0 373.387 -0.632 20 0 FBADRM C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)[C@H]1C(=O)[O-] ZINC000263054546 243344816 /nfs/dbraw/zinc/34/48/16/243344816.db2.gz LOAQALSCUXRHRL-PRHODGIISA-N -1 0 373.387 -0.632 20 0 FBADRM C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)[C@H]1C(=O)[O-] ZINC000263054548 243346745 /nfs/dbraw/zinc/34/67/45/243346745.db2.gz LOAQALSCUXRHRL-QPUJVOFHSA-N -1 0 373.387 -0.632 20 0 FBADRM C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)[C@@H]1C(=O)[O-] ZINC000263054550 243347077 /nfs/dbraw/zinc/34/70/77/243347077.db2.gz LOAQALSCUXRHRL-UFBFGSQYSA-N -1 0 373.387 -0.632 20 0 FBADRM CO[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)[O-] ZINC000263056520 243345768 /nfs/dbraw/zinc/34/57/68/243345768.db2.gz GSRAKDZIRLMHSO-CYBMUJFWSA-N -1 0 372.399 -0.463 20 0 FBADRM CO[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)[O-] ZINC000263056531 536501780 /nfs/dbraw/zinc/50/17/80/536501780.db2.gz GSRAKDZIRLMHSO-ZDUSSCGKSA-N -1 0 372.399 -0.463 20 0 FBADRM CO[C@H](CNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000263058364 243347247 /nfs/dbraw/zinc/34/72/47/243347247.db2.gz HBUIDSLJEBITMM-GFCCVEGCSA-N -1 0 372.399 -0.463 20 0 FBADRM CO[C@@H](CNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000263058366 536502210 /nfs/dbraw/zinc/50/22/10/536502210.db2.gz HBUIDSLJEBITMM-LBPRGKRZSA-N -1 0 372.399 -0.463 20 0 FBADRM CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)[O-] ZINC000263064646 535799643 /nfs/dbraw/zinc/79/96/43/535799643.db2.gz YQCWSCUMQVDBNW-GFCCVEGCSA-N -1 0 371.415 -0.236 20 0 FBADRM CC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)[O-] ZINC000263064655 535866907 /nfs/dbraw/zinc/86/69/07/535866907.db2.gz YQCWSCUMQVDBNW-LBPRGKRZSA-N -1 0 371.415 -0.236 20 0 FBADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000263066725 243346206 /nfs/dbraw/zinc/34/62/06/243346206.db2.gz GFTSDGAZVZTUHA-GHMZBOCLSA-N -1 0 356.466 -0.217 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000263066726 243345593 /nfs/dbraw/zinc/34/55/93/243345593.db2.gz GFTSDGAZVZTUHA-MNOVXSKESA-N -1 0 356.466 -0.217 20 0 FBADRM C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000263066728 243346369 /nfs/dbraw/zinc/34/63/69/243346369.db2.gz GFTSDGAZVZTUHA-QWRGUYRKSA-N -1 0 356.466 -0.217 20 0 FBADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000263066729 243347057 /nfs/dbraw/zinc/34/70/57/243347057.db2.gz GFTSDGAZVZTUHA-WDEREUQCSA-N -1 0 356.466 -0.217 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(C)CC(=O)[O-])cc1 ZINC000263067100 534747553 /nfs/dbraw/zinc/74/75/53/534747553.db2.gz ITZQVUMVEMGRBJ-UHFFFAOYSA-N -1 0 357.388 -0.192 20 0 FBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)CC(=O)[O-])C1 ZINC000263068587 243346321 /nfs/dbraw/zinc/34/63/21/243346321.db2.gz JHCJBRKVTHAVRE-LLVKDONJSA-N -1 0 358.420 -0.030 20 0 FBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(C)CC(=O)[O-])C1 ZINC000263068590 243345044 /nfs/dbraw/zinc/34/50/44/243345044.db2.gz JHCJBRKVTHAVRE-NSHDSACASA-N -1 0 358.420 -0.030 20 0 FBADRM NC(=O)c1ccc(OCCC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1 ZINC000263069420 243345064 /nfs/dbraw/zinc/34/50/64/243345064.db2.gz OZMNRVXMPLYPKZ-GFCCVEGCSA-N -1 0 370.383 -0.735 20 0 FBADRM NC(=O)c1ccc(OCCC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1 ZINC000263069421 243345981 /nfs/dbraw/zinc/34/59/81/243345981.db2.gz OZMNRVXMPLYPKZ-LBPRGKRZSA-N -1 0 370.383 -0.735 20 0 FBADRM C[C@H](CC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000263071106 243345931 /nfs/dbraw/zinc/34/59/31/243345931.db2.gz ZQWPQMGDTXDBHJ-NXEZZACHSA-N -1 0 369.399 -0.334 20 0 FBADRM C[C@@H](CC(=O)[O-])NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000263071115 243347457 /nfs/dbraw/zinc/34/74/57/243347457.db2.gz ZQWPQMGDTXDBHJ-UWVGGRQHSA-N -1 0 369.399 -0.334 20 0 FBADRM C[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000263071122 243346030 /nfs/dbraw/zinc/34/60/30/243346030.db2.gz ZQWPQMGDTXDBHJ-VHSXEESVSA-N -1 0 369.399 -0.334 20 0 FBADRM C[C@H](CC(=O)[O-])NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000263071130 243345079 /nfs/dbraw/zinc/34/50/79/243345079.db2.gz ZQWPQMGDTXDBHJ-ZJUUUORDSA-N -1 0 369.399 -0.334 20 0 FBADRM CC(C)C[C@H](CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)C(=O)[O-] ZINC000263073911 535307521 /nfs/dbraw/zinc/30/75/21/535307521.db2.gz QDGDIMUSLWAUGV-SECBINFHSA-N -1 0 374.419 -0.745 20 0 FBADRM CC(C)C[C@@H](CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)C(=O)[O-] ZINC000263073915 243346280 /nfs/dbraw/zinc/34/62/80/243346280.db2.gz QDGDIMUSLWAUGV-VIFPVBQESA-N -1 0 374.419 -0.745 20 0 FBADRM C[C@@H]1CN(C(=O)CNC2=NS(=O)(=O)c3ccccc32)C[C@H]1C(=O)[O-] ZINC000263082249 243345160 /nfs/dbraw/zinc/34/51/60/243345160.db2.gz BLVKZJWFGXHBEF-MWLCHTKSSA-N -1 0 351.384 -0.096 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(C)CC(=O)[O-])CC2)cc1 ZINC000263089298 243347437 /nfs/dbraw/zinc/34/74/37/243347437.db2.gz MRPBRYRGJCJSSG-UHFFFAOYSA-N -1 0 369.443 -0.156 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cn1C ZINC000263091312 243347466 /nfs/dbraw/zinc/34/74/66/243347466.db2.gz AILHBZAQJRUZJB-CMPLNLGQSA-N -1 0 372.447 -0.034 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cn1C ZINC000263091316 243346015 /nfs/dbraw/zinc/34/60/15/243346015.db2.gz AILHBZAQJRUZJB-JQWIXIFHSA-N -1 0 372.447 -0.034 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cn1C ZINC000263091319 243345709 /nfs/dbraw/zinc/34/57/09/243345709.db2.gz AILHBZAQJRUZJB-PWSUYJOCSA-N -1 0 372.447 -0.034 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cn1C ZINC000263091321 243346085 /nfs/dbraw/zinc/34/60/85/243346085.db2.gz AILHBZAQJRUZJB-ZYHUDNBSSA-N -1 0 372.447 -0.034 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](OC)C(=O)[O-])c1 ZINC000263102893 243346850 /nfs/dbraw/zinc/34/68/50/243346850.db2.gz OOIZJHWUMHSTND-GFCCVEGCSA-N -1 0 360.388 -0.559 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)NC[C@H](OC)C(=O)[O-])c1 ZINC000263102904 243344868 /nfs/dbraw/zinc/34/48/68/243344868.db2.gz OOIZJHWUMHSTND-LBPRGKRZSA-N -1 0 360.388 -0.559 20 0 FBADRM O=C(CN1CCCS1(=O)=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000263103723 243346350 /nfs/dbraw/zinc/34/63/50/243346350.db2.gz RGCWJZOLYAKCIW-AWEZNQCLSA-N -1 0 354.384 -0.101 20 0 FBADRM O=C(CN1CCCS1(=O)=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000263103724 243345446 /nfs/dbraw/zinc/34/54/46/243345446.db2.gz RGCWJZOLYAKCIW-CQSZACIVSA-N -1 0 354.384 -0.101 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)C1=O ZINC000263105074 243344904 /nfs/dbraw/zinc/34/49/04/243344904.db2.gz JESBKMFQFCOKPY-GFCCVEGCSA-N -1 0 361.354 -0.001 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)C1=O ZINC000263105079 243345647 /nfs/dbraw/zinc/34/56/47/243345647.db2.gz JESBKMFQFCOKPY-LBPRGKRZSA-N -1 0 361.354 -0.001 20 0 FBADRM Cn1c(N)c(C(=O)CN2CCCC[C@H]2CCC(=O)[O-])c(=O)n(C)c1=O ZINC000263115122 243347280 /nfs/dbraw/zinc/34/72/80/243347280.db2.gz ZHAOZTVFLVTLCE-JTQLQIEISA-N -1 0 352.391 -0.432 20 0 FBADRM Cn1c(N)c(C(=O)CN2CCCC[C@@H]2CCC(=O)[O-])c(=O)n(C)c1=O ZINC000263115124 243344743 /nfs/dbraw/zinc/34/47/43/243344743.db2.gz ZHAOZTVFLVTLCE-SNVBAGLBSA-N -1 0 352.391 -0.432 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCC(=O)[O-] ZINC000263122003 536871217 /nfs/dbraw/zinc/87/12/17/536871217.db2.gz DTVCVPDIIVTLKN-UHFFFAOYSA-N -1 0 372.399 -0.079 20 0 FBADRM CO[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000263122353 243347451 /nfs/dbraw/zinc/34/74/51/243347451.db2.gz RNDFRKVADNZKKJ-CYBMUJFWSA-N -1 0 372.399 -0.463 20 0 FBADRM CO[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000263122355 243344977 /nfs/dbraw/zinc/34/49/77/243344977.db2.gz RNDFRKVADNZKKJ-ZDUSSCGKSA-N -1 0 372.399 -0.463 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000263127750 243347489 /nfs/dbraw/zinc/34/74/89/243347489.db2.gz LHGPHPNQYDUNNZ-LLVKDONJSA-N -1 0 358.420 -0.056 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000263127752 243344571 /nfs/dbraw/zinc/34/45/71/243344571.db2.gz LHGPHPNQYDUNNZ-NSHDSACASA-N -1 0 358.420 -0.056 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC1(C(=O)[O-])CCC1 ZINC000263127946 243344839 /nfs/dbraw/zinc/34/48/39/243344839.db2.gz FYDUFPRFMIOCKF-SECBINFHSA-N -1 0 358.420 -0.173 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC1(C(=O)[O-])CCC1 ZINC000263127947 243346305 /nfs/dbraw/zinc/34/63/05/243346305.db2.gz FYDUFPRFMIOCKF-VIFPVBQESA-N -1 0 358.420 -0.173 20 0 FBADRM Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N(C)CC(=O)[O-])CC2)c1 ZINC000263131132 243346797 /nfs/dbraw/zinc/34/67/97/243346797.db2.gz SVNOPIRKDHNAOO-UHFFFAOYSA-N -1 0 369.443 -0.010 20 0 FBADRM CN(CC(=O)[O-])C(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 ZINC000263138069 243345965 /nfs/dbraw/zinc/34/59/65/243345965.db2.gz UUWXBTWYBFHHDO-UHFFFAOYSA-N -1 0 362.429 -0.011 20 0 FBADRM COCCN1C(=O)c2ccc(C(=O)N(C)CC(=O)[O-])cc2S1(=O)=O ZINC000263140985 243346680 /nfs/dbraw/zinc/34/66/80/243346680.db2.gz VHFXGMFLUMISAH-UHFFFAOYSA-N -1 0 356.356 -0.366 20 0 FBADRM NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NC3(C(=O)[O-])CC3)CC2=O)c1 ZINC000263142991 243346675 /nfs/dbraw/zinc/34/66/75/243346675.db2.gz JXAJPYOQQPZYIC-SECBINFHSA-N -1 0 367.383 -0.580 20 0 FBADRM NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NC3(C(=O)[O-])CC3)CC2=O)c1 ZINC000263142993 243345944 /nfs/dbraw/zinc/34/59/44/243345944.db2.gz JXAJPYOQQPZYIC-VIFPVBQESA-N -1 0 367.383 -0.580 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263144223 243346171 /nfs/dbraw/zinc/34/61/71/243346171.db2.gz KDDXVTGZWSRVQO-CMPLNLGQSA-N -1 0 354.450 -0.558 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 ZINC000263154920 243345402 /nfs/dbraw/zinc/34/54/02/243345402.db2.gz FQVROHBXBVNTLG-NXEZZACHSA-N -1 0 360.370 -0.185 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 ZINC000263154923 243345395 /nfs/dbraw/zinc/34/53/95/243345395.db2.gz FQVROHBXBVNTLG-UWVGGRQHSA-N -1 0 360.370 -0.185 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 ZINC000263154925 243346449 /nfs/dbraw/zinc/34/64/49/243346449.db2.gz FQVROHBXBVNTLG-VHSXEESVSA-N -1 0 360.370 -0.185 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 ZINC000263154928 243345275 /nfs/dbraw/zinc/34/52/75/243345275.db2.gz FQVROHBXBVNTLG-ZJUUUORDSA-N -1 0 360.370 -0.185 20 0 FBADRM COc1ccc(C(=O)NC[C@@H](OC)C(=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000263155725 536741749 /nfs/dbraw/zinc/74/17/49/536741749.db2.gz XOULGTFOBSDCDW-GFCCVEGCSA-N -1 0 372.399 -0.035 20 0 FBADRM COc1ccc(C(=O)NC[C@H](OC)C(=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000263155730 536749227 /nfs/dbraw/zinc/74/92/27/536749227.db2.gz XOULGTFOBSDCDW-LBPRGKRZSA-N -1 0 372.399 -0.035 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC(=O)[O-] ZINC000263160716 536871080 /nfs/dbraw/zinc/87/10/80/536871080.db2.gz ORMKAUNFZUNQIA-UHFFFAOYSA-N -1 0 358.372 -0.470 20 0 FBADRM O=C([O-])CCCNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000263163392 243347051 /nfs/dbraw/zinc/34/70/51/243347051.db2.gz CFMPFPBSGDZGAB-LLVKDONJSA-N -1 0 351.425 -0.361 20 0 FBADRM O=C([O-])CCCNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000263163395 243345639 /nfs/dbraw/zinc/34/56/39/243345639.db2.gz CFMPFPBSGDZGAB-NSHDSACASA-N -1 0 351.425 -0.361 20 0 FBADRM Cc1cc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000263169923 243346071 /nfs/dbraw/zinc/34/60/71/243346071.db2.gz JGRZKYPOBYAYLH-NXEZZACHSA-N -1 0 360.370 -0.267 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cn1 ZINC000263181418 536380874 /nfs/dbraw/zinc/38/08/74/536380874.db2.gz VKKIENWHJXLPBC-IINYFYTJSA-N -1 0 357.388 -0.069 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)CC(=O)[O-] ZINC000263182753 536871030 /nfs/dbraw/zinc/87/10/30/536871030.db2.gz VZJVUFKSQXMNPF-UHFFFAOYSA-N -1 0 372.399 -0.127 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000263194563 243345312 /nfs/dbraw/zinc/34/53/12/243345312.db2.gz IZNOQUHPZBPTBN-IEBDPFPHSA-N -1 0 358.420 -0.317 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000263194567 243347155 /nfs/dbraw/zinc/34/71/55/243347155.db2.gz IZNOQUHPZBPTBN-INTQDDNPSA-N -1 0 358.420 -0.317 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000263198065 536328130 /nfs/dbraw/zinc/32/81/30/536328130.db2.gz WTIQBBDXOBSPLU-BXKDBHETSA-N -1 0 362.429 -0.064 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000263219697 243346229 /nfs/dbraw/zinc/34/62/29/243346229.db2.gz KGVJIPUNEIJRKF-AWEZNQCLSA-N -1 0 356.404 -0.134 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000263219699 243347497 /nfs/dbraw/zinc/34/74/97/243347497.db2.gz KGVJIPUNEIJRKF-CQSZACIVSA-N -1 0 356.404 -0.134 20 0 FBADRM CNC(=O)c1ccc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])cn1 ZINC000263235902 243345381 /nfs/dbraw/zinc/34/53/81/243345381.db2.gz CSUZURRIMSARNP-LBPRGKRZSA-N -1 0 350.375 -0.214 20 0 FBADRM O=C([O-])c1cnc(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)cn1 ZINC000263239180 243345141 /nfs/dbraw/zinc/34/51/41/243345141.db2.gz DMYLLXCYZGIWIW-UHFFFAOYSA-N -1 0 354.388 -0.139 20 0 FBADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000263242032 243349700 /nfs/dbraw/zinc/34/97/00/243349700.db2.gz CLJPPZNVYJIOGG-JTQLQIEISA-N -1 0 369.399 -0.648 20 0 FBADRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000263242034 243348624 /nfs/dbraw/zinc/34/86/24/243348624.db2.gz CLJPPZNVYJIOGG-SNVBAGLBSA-N -1 0 369.399 -0.648 20 0 FBADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000263242576 243348875 /nfs/dbraw/zinc/34/88/75/243348875.db2.gz RUHNJTOYSDPIAG-NXEZZACHSA-N -1 0 363.374 -0.855 20 0 FBADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000263242577 243349428 /nfs/dbraw/zinc/34/94/28/243349428.db2.gz RUHNJTOYSDPIAG-UWVGGRQHSA-N -1 0 363.374 -0.855 20 0 FBADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000263242579 243349392 /nfs/dbraw/zinc/34/93/92/243349392.db2.gz RUHNJTOYSDPIAG-VHSXEESVSA-N -1 0 363.374 -0.855 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000263242580 243349179 /nfs/dbraw/zinc/34/91/79/243349179.db2.gz RUHNJTOYSDPIAG-ZJUUUORDSA-N -1 0 363.374 -0.855 20 0 FBADRM CC(C)C[C@H](NC(=O)CNC(=O)CCN1CCCS1(=O)=O)C(=O)[O-] ZINC000263246919 659922597 /nfs/dbraw/zinc/92/25/97/659922597.db2.gz GJJAOAJGUCLGMM-NSHDSACASA-N -1 0 363.436 -0.856 20 0 FBADRM CC(C)C[C@H](NC(=O)CNC(=O)C(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000263246954 243349285 /nfs/dbraw/zinc/34/92/85/243349285.db2.gz GJYGGFPPVVXQPJ-VIFPVBQESA-N -1 0 351.425 -0.954 20 0 FBADRM CC(C)C[C@H](NC(=O)CNC(=O)CC(=O)NCC(F)(F)F)C(=O)[O-] ZINC000263255108 243348007 /nfs/dbraw/zinc/34/80/07/243348007.db2.gz IEIFSVYDUGZKJT-QMMMGPOBSA-N -1 0 355.313 -0.213 20 0 FBADRM O=C([O-])C[C@@H]1COCCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000263255982 243349551 /nfs/dbraw/zinc/34/95/51/243349551.db2.gz FPJWOVOBOHMXNI-LLVKDONJSA-N -1 0 355.372 -0.814 20 0 FBADRM O=C([O-])C[C@H]1COCCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000263255983 243349579 /nfs/dbraw/zinc/34/95/79/243349579.db2.gz FPJWOVOBOHMXNI-NSHDSACASA-N -1 0 355.372 -0.814 20 0 FBADRM COCCn1nc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc1=O ZINC000263258357 536857938 /nfs/dbraw/zinc/85/79/38/536857938.db2.gz JAXZDROZCXCFDA-LBPRGKRZSA-N -1 0 368.390 -0.765 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)CNC(=O)c1ccc(OC)c(OC)c1 ZINC000263261029 536818241 /nfs/dbraw/zinc/81/82/41/536818241.db2.gz MJSNQKZQVUESDR-UHFFFAOYSA-N -1 0 354.359 -0.007 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000263265139 243350442 /nfs/dbraw/zinc/35/04/42/243350442.db2.gz VHRCKIGNBBZSAN-GHMZBOCLSA-N -1 0 356.466 -0.360 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000263265140 243350354 /nfs/dbraw/zinc/35/03/54/243350354.db2.gz VHRCKIGNBBZSAN-MNOVXSKESA-N -1 0 356.466 -0.360 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000263265141 243350136 /nfs/dbraw/zinc/35/01/36/243350136.db2.gz VHRCKIGNBBZSAN-QWRGUYRKSA-N -1 0 356.466 -0.360 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000263265142 243350550 /nfs/dbraw/zinc/35/05/50/243350550.db2.gz VHRCKIGNBBZSAN-WDEREUQCSA-N -1 0 356.466 -0.360 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000263265607 243350181 /nfs/dbraw/zinc/35/01/81/243350181.db2.gz QZFDYHBDLLGMTP-JTQLQIEISA-N -1 0 351.450 -0.519 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000263265609 243350082 /nfs/dbraw/zinc/35/00/82/243350082.db2.gz QZFDYHBDLLGMTP-SNVBAGLBSA-N -1 0 351.450 -0.519 20 0 FBADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000263270831 243348902 /nfs/dbraw/zinc/34/89/02/243348902.db2.gz VYTSAOKAOVPFFV-NXEZZACHSA-N -1 0 360.370 -0.043 20 0 FBADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000263270833 243350313 /nfs/dbraw/zinc/35/03/13/243350313.db2.gz VYTSAOKAOVPFFV-UWVGGRQHSA-N -1 0 360.370 -0.043 20 0 FBADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000263270835 243350220 /nfs/dbraw/zinc/35/02/20/243350220.db2.gz VYTSAOKAOVPFFV-VHSXEESVSA-N -1 0 360.370 -0.043 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000263270839 243350502 /nfs/dbraw/zinc/35/05/02/243350502.db2.gz VYTSAOKAOVPFFV-ZJUUUORDSA-N -1 0 360.370 -0.043 20 0 FBADRM Cc1nn(C)c(=O)c(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c1C ZINC000263286723 243350280 /nfs/dbraw/zinc/35/02/80/243350280.db2.gz PTDVDWJWIIDMJI-NSHDSACASA-N -1 0 352.391 -0.258 20 0 FBADRM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000263287551 243350541 /nfs/dbraw/zinc/35/05/41/243350541.db2.gz KWPUMLGFOGUKOS-NXEZZACHSA-N -1 0 369.399 -0.382 20 0 FBADRM C[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000263287552 243349006 /nfs/dbraw/zinc/34/90/06/243349006.db2.gz KWPUMLGFOGUKOS-UWVGGRQHSA-N -1 0 369.399 -0.382 20 0 FBADRM C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000263287553 243348211 /nfs/dbraw/zinc/34/82/11/243348211.db2.gz KWPUMLGFOGUKOS-VHSXEESVSA-N -1 0 369.399 -0.382 20 0 FBADRM C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000263287554 243349442 /nfs/dbraw/zinc/34/94/42/243349442.db2.gz KWPUMLGFOGUKOS-ZJUUUORDSA-N -1 0 369.399 -0.382 20 0 FBADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000263289806 243347930 /nfs/dbraw/zinc/34/79/30/243347930.db2.gz YNRIAQUSCWCLKV-NXEZZACHSA-N -1 0 360.370 -0.043 20 0 FBADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000263289808 243349394 /nfs/dbraw/zinc/34/93/94/243349394.db2.gz YNRIAQUSCWCLKV-UWVGGRQHSA-N -1 0 360.370 -0.043 20 0 FBADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000263289809 243350210 /nfs/dbraw/zinc/35/02/10/243350210.db2.gz YNRIAQUSCWCLKV-VHSXEESVSA-N -1 0 360.370 -0.043 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000263289810 243350452 /nfs/dbraw/zinc/35/04/52/243350452.db2.gz YNRIAQUSCWCLKV-ZJUUUORDSA-N -1 0 360.370 -0.043 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000263290598 243350595 /nfs/dbraw/zinc/35/05/95/243350595.db2.gz VFESCKREYPBQTC-LLVKDONJSA-N -1 0 365.477 -0.129 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000263290599 243349466 /nfs/dbraw/zinc/34/94/66/243349466.db2.gz VFESCKREYPBQTC-NSHDSACASA-N -1 0 365.477 -0.129 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000263292763 243348771 /nfs/dbraw/zinc/34/87/71/243348771.db2.gz LUWVUSWHLLXKIF-LLVKDONJSA-N -1 0 352.409 -0.967 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000263292767 243348971 /nfs/dbraw/zinc/34/89/71/243348971.db2.gz LUWVUSWHLLXKIF-NSHDSACASA-N -1 0 352.409 -0.967 20 0 FBADRM O=C([O-])c1cnc(C(=O)NCCS(=O)(=O)N2CCSCC2)cn1 ZINC000263296808 243349903 /nfs/dbraw/zinc/34/99/03/243349903.db2.gz SRKCSFZSGZNCCY-UHFFFAOYSA-N -1 0 360.417 -0.717 20 0 FBADRM CC(C)C[C@H](NC(=O)CNC(=O)Cn1nc2ccccn2c1=O)C(=O)[O-] ZINC000263297389 535320107 /nfs/dbraw/zinc/32/01/07/535320107.db2.gz SUQWZBBQMXWCML-NSHDSACASA-N -1 0 363.374 -0.772 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263302533 243350201 /nfs/dbraw/zinc/35/02/01/243350201.db2.gz GTQKBLMKKQFKBO-GHMZBOCLSA-N -1 0 350.441 -0.429 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263302534 243349317 /nfs/dbraw/zinc/34/93/17/243349317.db2.gz GTQKBLMKKQFKBO-MNOVXSKESA-N -1 0 350.441 -0.429 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263302535 243349673 /nfs/dbraw/zinc/34/96/73/243349673.db2.gz GTQKBLMKKQFKBO-QWRGUYRKSA-N -1 0 350.441 -0.429 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263302537 243348195 /nfs/dbraw/zinc/34/81/95/243348195.db2.gz GTQKBLMKKQFKBO-WDEREUQCSA-N -1 0 350.441 -0.429 20 0 FBADRM O=C([O-])CCCCC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000263306981 243349860 /nfs/dbraw/zinc/34/98/60/243349860.db2.gz OPDUCLHNAJCAOQ-UHFFFAOYSA-N -1 0 353.375 -0.549 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000263309349 243348613 /nfs/dbraw/zinc/34/86/13/243348613.db2.gz YJRSVHSUZUFCJX-CYBMUJFWSA-N -1 0 365.477 -0.129 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000263309350 243349146 /nfs/dbraw/zinc/34/91/46/243349146.db2.gz YJRSVHSUZUFCJX-ZDUSSCGKSA-N -1 0 365.477 -0.129 20 0 FBADRM COc1ncnc(OC)c1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000263309381 243348511 /nfs/dbraw/zinc/34/85/11/243348511.db2.gz WSKKREXBCKQGBW-VIFPVBQESA-N -1 0 354.363 -0.161 20 0 FBADRM COc1ccc(C(=O)N2CCN(C(=O)Cn3cc(C(=O)[O-])nn3)CC2)cc1 ZINC000263311819 536724637 /nfs/dbraw/zinc/72/46/37/536724637.db2.gz GQZONUDAWXBETJ-UHFFFAOYSA-N -1 0 373.369 -0.031 20 0 FBADRM O=C([O-])C[C@@H]1COCCN1C(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000263316564 243348783 /nfs/dbraw/zinc/34/87/83/243348783.db2.gz QKPVTBUZFBWFOJ-LLVKDONJSA-N -1 0 361.354 -0.218 20 0 FBADRM O=C([O-])C[C@H]1COCCN1C(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000263316565 243348747 /nfs/dbraw/zinc/34/87/47/243348747.db2.gz QKPVTBUZFBWFOJ-NSHDSACASA-N -1 0 361.354 -0.218 20 0 FBADRM O=C([O-])CCCCC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000263319352 243349116 /nfs/dbraw/zinc/34/91/16/243349116.db2.gz QZPIMCFBMJBMCV-UHFFFAOYSA-N -1 0 363.436 -0.647 20 0 FBADRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000263323723 243350614 /nfs/dbraw/zinc/35/06/14/243350614.db2.gz KCRGJYCEKKJWMK-MWLCHTKSSA-N -1 0 360.370 -0.043 20 0 FBADRM CN(CC(=O)N1CCOC[C@H]1CC(=O)[O-])S(=O)(=O)c1cccnc1 ZINC000263330990 536167761 /nfs/dbraw/zinc/16/77/61/536167761.db2.gz UVSZOODIQBOJGD-LLVKDONJSA-N -1 0 357.388 -0.596 20 0 FBADRM CN(CC(=O)N1CCOC[C@@H]1CC(=O)[O-])S(=O)(=O)c1cccnc1 ZINC000263330991 536167665 /nfs/dbraw/zinc/16/76/65/536167665.db2.gz UVSZOODIQBOJGD-NSHDSACASA-N -1 0 357.388 -0.596 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000263331896 243348884 /nfs/dbraw/zinc/34/88/84/243348884.db2.gz QAUDOOZYWXZQCY-WDEREUQCSA-N -1 0 350.462 -0.018 20 0 FBADRM COc1cccc(C(=O)N2CCN(C(=O)Cn3cc(C(=O)[O-])nn3)CC2)c1 ZINC000263333116 537081543 /nfs/dbraw/zinc/08/15/43/537081543.db2.gz MPZXPACLRNGYAE-UHFFFAOYSA-N -1 0 373.369 -0.031 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)Cn2cc(C(=O)[O-])nn2)cc1 ZINC000263338064 243350719 /nfs/dbraw/zinc/35/07/19/243350719.db2.gz OBVFTTUOVOFRJN-UHFFFAOYSA-N -1 0 367.387 -0.621 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CSC[C@H]2C(=O)N2CCSCC2)nn1 ZINC000263338113 243349267 /nfs/dbraw/zinc/34/92/67/243349267.db2.gz ODXQUNZPAWTPKM-JTQLQIEISA-N -1 0 371.444 -0.547 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)nn1 ZINC000263338114 243350756 /nfs/dbraw/zinc/35/07/56/243350756.db2.gz ODXQUNZPAWTPKM-SNVBAGLBSA-N -1 0 371.444 -0.547 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000263340508 243348816 /nfs/dbraw/zinc/34/88/16/243348816.db2.gz NHEGYWFSEKHGFR-GXSJLCMTSA-N -1 0 360.370 -0.185 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000263340509 243349513 /nfs/dbraw/zinc/34/95/13/243349513.db2.gz NHEGYWFSEKHGFR-KOLCDFICSA-N -1 0 360.370 -0.185 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000263340510 243348400 /nfs/dbraw/zinc/34/84/00/243348400.db2.gz NHEGYWFSEKHGFR-MWLCHTKSSA-N -1 0 360.370 -0.185 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000263340511 243349493 /nfs/dbraw/zinc/34/94/93/243349493.db2.gz NHEGYWFSEKHGFR-ONGXEEELSA-N -1 0 360.370 -0.185 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000263341073 243347951 /nfs/dbraw/zinc/34/79/51/243347951.db2.gz NMWDWJSXFTWZAA-NXEZZACHSA-N -1 0 363.374 -0.997 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000263341074 243350408 /nfs/dbraw/zinc/35/04/08/243350408.db2.gz NMWDWJSXFTWZAA-UWVGGRQHSA-N -1 0 363.374 -0.997 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000263341075 243350496 /nfs/dbraw/zinc/35/04/96/243350496.db2.gz NMWDWJSXFTWZAA-VHSXEESVSA-N -1 0 363.374 -0.997 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000263341076 243349822 /nfs/dbraw/zinc/34/98/22/243349822.db2.gz NMWDWJSXFTWZAA-ZJUUUORDSA-N -1 0 363.374 -0.997 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCN(C(=O)NCCC(=O)[O-])CC1 ZINC000263347125 243348071 /nfs/dbraw/zinc/34/80/71/243348071.db2.gz GWQDIIPNXDIRRY-UHFFFAOYSA-N -1 0 351.425 -0.457 20 0 FBADRM O=C([O-])c1cn(CC(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)nn1 ZINC000263348477 243349733 /nfs/dbraw/zinc/34/97/33/243349733.db2.gz OQFYJMHEFTYYSG-GFCCVEGCSA-N -1 0 373.369 -0.228 20 0 FBADRM O=C([O-])c1cn(CC(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)nn1 ZINC000263348479 243350687 /nfs/dbraw/zinc/35/06/87/243350687.db2.gz OQFYJMHEFTYYSG-LBPRGKRZSA-N -1 0 373.369 -0.228 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC(NC(=O)NCCC(=O)[O-])C2)cc1 ZINC000263362978 243348048 /nfs/dbraw/zinc/34/80/48/243348048.db2.gz KWAGKASMQKQETG-UHFFFAOYSA-N -1 0 357.388 -0.158 20 0 FBADRM O=C([O-])c1ccc(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 ZINC000263375321 243349846 /nfs/dbraw/zinc/34/98/46/243349846.db2.gz ODQKFAYFKJPDFC-UHFFFAOYSA-N -1 0 373.373 -0.575 20 0 FBADRM CC(=O)NCCN(C(=O)CNc1ccccc1C(N)=O)[C@@H](C)C(=O)[O-] ZINC000263381092 534419960 /nfs/dbraw/zinc/41/99/60/534419960.db2.gz BRAWSSZPCALWDT-JTQLQIEISA-N -1 0 350.375 -0.365 20 0 FBADRM CC(=O)NCCN(C(=O)CNc1ccccc1C(N)=O)[C@H](C)C(=O)[O-] ZINC000263381093 534420196 /nfs/dbraw/zinc/42/01/96/534420196.db2.gz BRAWSSZPCALWDT-SNVBAGLBSA-N -1 0 350.375 -0.365 20 0 FBADRM CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1cccc(C(=O)[O-])c1)C2 ZINC000263381402 243348385 /nfs/dbraw/zinc/34/83/85/243348385.db2.gz BSSZZVQKLKZRMC-UHFFFAOYSA-N -1 0 359.386 -0.153 20 0 FBADRM COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCCC(=O)[O-])C1 ZINC000263388476 536803710 /nfs/dbraw/zinc/80/37/10/536803710.db2.gz PZNDHYGDZUUKQB-LLVKDONJSA-N -1 0 351.425 -0.457 20 0 FBADRM COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCCC(=O)[O-])C1 ZINC000263388478 243348272 /nfs/dbraw/zinc/34/82/72/243348272.db2.gz PZNDHYGDZUUKQB-NSHDSACASA-N -1 0 351.425 -0.457 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263390189 243348169 /nfs/dbraw/zinc/34/81/69/243348169.db2.gz QJNKCFSJWGXCLF-UHFFFAOYSA-N -1 0 350.441 -0.239 20 0 FBADRM CC(=O)NCCN(C(=O)CNC(=O)c1cccc(F)c1)[C@@H](C)C(=O)[O-] ZINC000263392404 534420924 /nfs/dbraw/zinc/42/09/24/534420924.db2.gz DVWGCTFRYONCQL-JTQLQIEISA-N -1 0 353.350 -0.007 20 0 FBADRM CC(=O)NCCN(C(=O)CNC(=O)c1cccc(F)c1)[C@H](C)C(=O)[O-] ZINC000263392405 534421180 /nfs/dbraw/zinc/42/11/80/534421180.db2.gz DVWGCTFRYONCQL-SNVBAGLBSA-N -1 0 353.350 -0.007 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CCO1 ZINC000263392519 243350170 /nfs/dbraw/zinc/35/01/70/243350170.db2.gz DXQYJKPJHUVHGV-KBPBESRZSA-N -1 0 360.370 -0.321 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CCO1 ZINC000263392522 243350345 /nfs/dbraw/zinc/35/03/45/243350345.db2.gz DXQYJKPJHUVHGV-KGLIPLIRSA-N -1 0 360.370 -0.321 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CCO1 ZINC000263392525 243350762 /nfs/dbraw/zinc/35/07/62/243350762.db2.gz DXQYJKPJHUVHGV-UONOGXRCSA-N -1 0 360.370 -0.321 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CCO1 ZINC000263392528 243349207 /nfs/dbraw/zinc/34/92/07/243349207.db2.gz DXQYJKPJHUVHGV-ZIAGYGMSSA-N -1 0 360.370 -0.321 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263396982 243349326 /nfs/dbraw/zinc/34/93/26/243349326.db2.gz ZMTZVSHGNIQHPL-NEPJUHHUSA-N -1 0 350.437 -0.100 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263396984 243349682 /nfs/dbraw/zinc/34/96/82/243349682.db2.gz ZMTZVSHGNIQHPL-NWDGAFQWSA-N -1 0 350.437 -0.100 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263396986 243350508 /nfs/dbraw/zinc/35/05/08/243350508.db2.gz ZMTZVSHGNIQHPL-RYUDHWBXSA-N -1 0 350.437 -0.100 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263396987 243349516 /nfs/dbraw/zinc/34/95/16/243349516.db2.gz ZMTZVSHGNIQHPL-VXGBXAGGSA-N -1 0 350.437 -0.100 20 0 FBADRM O=C([O-])c1cccc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)n1 ZINC000263397047 660221052 /nfs/dbraw/zinc/22/10/52/660221052.db2.gz HVVOIRBUGGZJOI-UHFFFAOYSA-N -1 0 356.404 -0.521 20 0 FBADRM O=C([O-])c1cn(-c2cccc(NC(=O)CN3CCCS3(=O)=O)c2)nn1 ZINC000263409045 243350700 /nfs/dbraw/zinc/35/07/00/243350700.db2.gz GPCMJBYQQDWOHB-UHFFFAOYSA-N -1 0 365.371 -0.061 20 0 FBADRM COc1cccc(C(=O)NCC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c1 ZINC000263418407 243350684 /nfs/dbraw/zinc/35/06/84/243350684.db2.gz KNWZYCWQPMQGJL-LLVKDONJSA-N -1 0 365.386 -0.137 20 0 FBADRM COc1cccc(C(=O)NCC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c1 ZINC000263418408 243349691 /nfs/dbraw/zinc/34/96/91/243349691.db2.gz KNWZYCWQPMQGJL-NSHDSACASA-N -1 0 365.386 -0.137 20 0 FBADRM O=C([O-])c1ccnc(C(=O)NCCS(=O)(=O)N2CCSCC2)c1 ZINC000263418705 243348437 /nfs/dbraw/zinc/34/84/37/243348437.db2.gz ORNLWRLDHHVVGF-UHFFFAOYSA-N -1 0 359.429 -0.112 20 0 FBADRM COc1cccc(C[C@@H](C(=O)NCCOCC(=O)[O-])n2nnnc2C)c1 ZINC000263430661 243348295 /nfs/dbraw/zinc/34/82/95/243348295.db2.gz KNZOKVZDJHFMDD-AWEZNQCLSA-N -1 0 363.374 -0.009 20 0 FBADRM COc1cccc(C[C@H](C(=O)NCCOCC(=O)[O-])n2nnnc2C)c1 ZINC000263430666 243349498 /nfs/dbraw/zinc/34/94/98/243349498.db2.gz KNZOKVZDJHFMDD-CQSZACIVSA-N -1 0 363.374 -0.009 20 0 FBADRM O=C([O-])c1cnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cn1 ZINC000263434093 243350531 /nfs/dbraw/zinc/35/05/31/243350531.db2.gz URDFZAWIEMBWAQ-LLVKDONJSA-N -1 0 356.404 -0.194 20 0 FBADRM O=C([O-])c1cnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cn1 ZINC000263434094 243349527 /nfs/dbraw/zinc/34/95/27/243349527.db2.gz URDFZAWIEMBWAQ-NSHDSACASA-N -1 0 356.404 -0.194 20 0 FBADRM CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000263435850 243353223 /nfs/dbraw/zinc/35/32/23/243353223.db2.gz ZSUYJKKPOFNKLC-BXUZGUMPSA-N -1 0 362.452 -0.237 20 0 FBADRM CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000263435851 243352108 /nfs/dbraw/zinc/35/21/08/243352108.db2.gz ZSUYJKKPOFNKLC-RISCZKNCSA-N -1 0 362.452 -0.237 20 0 FBADRM CCOc1ccc(S(=O)(=O)NCCC(=O)N[C@H](COC)C(=O)[O-])cc1 ZINC000263446714 659929798 /nfs/dbraw/zinc/92/97/98/659929798.db2.gz NKTRHARDBUWDRG-CYBMUJFWSA-N -1 0 374.415 -0.031 20 0 FBADRM CCOc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](COC)C(=O)[O-])cc1 ZINC000263446715 659929868 /nfs/dbraw/zinc/92/98/68/659929868.db2.gz NKTRHARDBUWDRG-ZDUSSCGKSA-N -1 0 374.415 -0.031 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)cnc2n(C)c1=O ZINC000263466003 243351244 /nfs/dbraw/zinc/35/12/44/243351244.db2.gz GGKAXNMVMJXFMH-SECBINFHSA-N -1 0 361.358 -0.039 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)N3CCC[C@H](C(=O)[O-])C3)cnc2n(C)c1=O ZINC000263466004 243351999 /nfs/dbraw/zinc/35/19/99/243351999.db2.gz GGKAXNMVMJXFMH-VIFPVBQESA-N -1 0 361.358 -0.039 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)CCOCC(F)(F)F ZINC000263472418 243352936 /nfs/dbraw/zinc/35/29/36/243352936.db2.gz IDXYABPFTXLJFA-MRVPVSSYSA-N -1 0 364.342 -0.194 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)CCOCC(F)(F)F ZINC000263472420 243352734 /nfs/dbraw/zinc/35/27/34/243352734.db2.gz IDXYABPFTXLJFA-QMMMGPOBSA-N -1 0 364.342 -0.194 20 0 FBADRM O=C([O-])[C@@H]1CC(C(=O)NCC(=O)N2CCOCC2)=NN1c1ccccc1 ZINC000263474570 243352871 /nfs/dbraw/zinc/35/28/71/243352871.db2.gz YVDXLGMYRSNADN-AWEZNQCLSA-N -1 0 360.370 -0.319 20 0 FBADRM O=C([O-])[C@H]1CC(C(=O)NCC(=O)N2CCOCC2)=NN1c1ccccc1 ZINC000263474571 243351671 /nfs/dbraw/zinc/35/16/71/243351671.db2.gz YVDXLGMYRSNADN-CQSZACIVSA-N -1 0 360.370 -0.319 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263475040 536077184 /nfs/dbraw/zinc/07/71/84/536077184.db2.gz IZPSRXRKWNGCEC-WCQYABFASA-N -1 0 368.477 -0.216 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC000263484474 243351381 /nfs/dbraw/zinc/35/13/81/243351381.db2.gz OYUTYSKMQBWLRL-UHFFFAOYSA-N -1 0 351.425 -0.455 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000263484898 243351287 /nfs/dbraw/zinc/35/12/87/243351287.db2.gz MGQBSEGQWMZFKX-SECBINFHSA-N -1 0 350.418 -0.064 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000263484899 243352889 /nfs/dbraw/zinc/35/28/89/243352889.db2.gz MGQBSEGQWMZFKX-VIFPVBQESA-N -1 0 350.418 -0.064 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)N3CC[C@](C)(C(=O)[O-])C3)cnc2n(C)c1=O ZINC000263485277 243353214 /nfs/dbraw/zinc/35/32/14/243353214.db2.gz MKXPSIMCIVZTQK-INIZCTEOSA-N -1 0 361.358 -0.039 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)N3CC[C@@](C)(C(=O)[O-])C3)cnc2n(C)c1=O ZINC000263485278 243352137 /nfs/dbraw/zinc/35/21/37/243352137.db2.gz MKXPSIMCIVZTQK-MRXNPFEDSA-N -1 0 361.358 -0.039 20 0 FBADRM CCOC(=O)CC1(S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])CC1 ZINC000263489243 243351358 /nfs/dbraw/zinc/35/13/58/243351358.db2.gz NYBVQWWNICVLBY-JTQLQIEISA-N -1 0 364.420 -0.287 20 0 FBADRM CCOC(=O)CC1(S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])CC1 ZINC000263489245 243353188 /nfs/dbraw/zinc/35/31/88/243353188.db2.gz NYBVQWWNICVLBY-SNVBAGLBSA-N -1 0 364.420 -0.287 20 0 FBADRM COc1ccccc1-n1cc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])cn1 ZINC000263492659 536978729 /nfs/dbraw/zinc/97/87/29/536978729.db2.gz PKJUNKIKABRGRX-AWEZNQCLSA-N -1 0 355.372 -0.005 20 0 FBADRM COc1ccccc1-n1cc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cn1 ZINC000263492660 536978407 /nfs/dbraw/zinc/97/84/07/536978407.db2.gz PKJUNKIKABRGRX-CQSZACIVSA-N -1 0 355.372 -0.005 20 0 FBADRM COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCCCC(=O)[O-])C1 ZINC000263495001 536803508 /nfs/dbraw/zinc/80/35/08/536803508.db2.gz SMWLGXQQPMYUDI-GFCCVEGCSA-N -1 0 365.452 -0.067 20 0 FBADRM COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCCCC(=O)[O-])C1 ZINC000263495003 243351576 /nfs/dbraw/zinc/35/15/76/243351576.db2.gz SMWLGXQQPMYUDI-LBPRGKRZSA-N -1 0 365.452 -0.067 20 0 FBADRM O=C([O-])CCCNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000263496811 243352986 /nfs/dbraw/zinc/35/29/86/243352986.db2.gz TXZCNEAQVRUVBS-GFCCVEGCSA-N -1 0 363.436 -0.313 20 0 FBADRM O=C([O-])CCCNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000263496812 243352747 /nfs/dbraw/zinc/35/27/47/243352747.db2.gz TXZCNEAQVRUVBS-LBPRGKRZSA-N -1 0 363.436 -0.313 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC000263498963 243352306 /nfs/dbraw/zinc/35/23/06/243352306.db2.gz UTWPJLDWZGODKY-UHFFFAOYSA-N -1 0 365.452 -0.067 20 0 FBADRM CCOC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC000263503094 243352575 /nfs/dbraw/zinc/35/25/75/243352575.db2.gz UOEVHMHZEOBANB-AWEZNQCLSA-N -1 0 361.372 -0.014 20 0 FBADRM CCOC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC000263503095 243353229 /nfs/dbraw/zinc/35/32/29/243353229.db2.gz UOEVHMHZEOBANB-CQSZACIVSA-N -1 0 361.372 -0.014 20 0 FBADRM COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000263513485 536469983 /nfs/dbraw/zinc/46/99/83/536469983.db2.gz YRTDSQAWBHDCQS-JLLWLGSASA-N -1 0 364.420 -0.431 20 0 FBADRM COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000263513486 536471062 /nfs/dbraw/zinc/47/10/62/536471062.db2.gz YRTDSQAWBHDCQS-MVWJERBFSA-N -1 0 364.420 -0.431 20 0 FBADRM COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000263513487 536470070 /nfs/dbraw/zinc/47/00/70/536470070.db2.gz YRTDSQAWBHDCQS-WCQGTBRESA-N -1 0 364.420 -0.431 20 0 FBADRM COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000263513489 536471020 /nfs/dbraw/zinc/47/10/20/536471020.db2.gz YRTDSQAWBHDCQS-YUSALJHKSA-N -1 0 364.420 -0.431 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000263541157 536332184 /nfs/dbraw/zinc/33/21/84/536332184.db2.gz CUBJNHDPAKLPJQ-LLVKDONJSA-N -1 0 350.418 -0.018 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C ZINC000263541158 536333003 /nfs/dbraw/zinc/33/30/03/536333003.db2.gz CUBJNHDPAKLPJQ-NSHDSACASA-N -1 0 350.418 -0.018 20 0 FBADRM C[C@H](NS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000263542137 243352800 /nfs/dbraw/zinc/35/28/00/243352800.db2.gz DMAASZZMXAKTSI-JTQLQIEISA-N -1 0 370.383 -0.308 20 0 FBADRM C[C@@H](NS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000263542138 243352197 /nfs/dbraw/zinc/35/21/97/243352197.db2.gz DMAASZZMXAKTSI-SNVBAGLBSA-N -1 0 370.383 -0.308 20 0 FBADRM O=C([O-])CNS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O ZINC000263546136 243352549 /nfs/dbraw/zinc/35/25/49/243352549.db2.gz HCMAAXZZTRRGBM-UHFFFAOYSA-N -1 0 356.356 -0.697 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N([C@H](C)C(=O)[O-])C2CC2)cn1C ZINC000263548801 243352664 /nfs/dbraw/zinc/35/26/64/243352664.db2.gz JBQMDZOUWCUJJM-SECBINFHSA-N -1 0 358.420 -0.139 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N([C@@H](C)C(=O)[O-])C2CC2)cn1C ZINC000263548802 243352881 /nfs/dbraw/zinc/35/28/81/243352881.db2.gz JBQMDZOUWCUJJM-VIFPVBQESA-N -1 0 358.420 -0.139 20 0 FBADRM CN(CC(=O)[O-])S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O ZINC000263551357 243353246 /nfs/dbraw/zinc/35/32/46/243353246.db2.gz LBNBYUOOUDRUEE-UHFFFAOYSA-N -1 0 370.383 -0.355 20 0 FBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000263556018 243353149 /nfs/dbraw/zinc/35/31/49/243353149.db2.gz OIDKLEUCQHJBDR-UPJWGTAASA-N -1 0 374.459 -0.004 20 0 FBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000263556019 243352397 /nfs/dbraw/zinc/35/23/97/243352397.db2.gz OIDKLEUCQHJBDR-XQQFMLRXSA-N -1 0 374.459 -0.004 20 0 FBADRM CCCCn1c(N)c(N(CC(=O)NCC(=O)[O-])CC(C)C)c(=O)[nH]c1=O ZINC000263560741 535135250 /nfs/dbraw/zinc/13/52/50/535135250.db2.gz BRTFEZAGAINJCY-UHFFFAOYSA-N -1 0 369.422 -0.006 20 0 FBADRM CN(CCS(=O)(=O)NCC(=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000263561298 243351843 /nfs/dbraw/zinc/35/18/43/243351843.db2.gz RRXBZNQYCUFWGP-UHFFFAOYSA-N -1 0 354.381 -0.550 20 0 FBADRM CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1ccc(C(=O)[O-])cc1)C2 ZINC000263561923 243351495 /nfs/dbraw/zinc/35/14/95/243351495.db2.gz CLMYEOVSMKUXAE-UHFFFAOYSA-N -1 0 359.386 -0.153 20 0 FBADRM CN(CCS(=O)(=O)N(C)CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000263563753 243352213 /nfs/dbraw/zinc/35/22/13/243352213.db2.gz UKPFTWPGTWJPTM-UHFFFAOYSA-N -1 0 368.408 -0.208 20 0 FBADRM C[C@H](C(=O)[O-])N(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CC1 ZINC000263565038 243352865 /nfs/dbraw/zinc/35/28/65/243352865.db2.gz VGWCNCRWHNBAPL-SECBINFHSA-N -1 0 363.374 -0.712 20 0 FBADRM C[C@@H](C(=O)[O-])N(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CC1 ZINC000263565040 243352645 /nfs/dbraw/zinc/35/26/45/243352645.db2.gz VGWCNCRWHNBAPL-VIFPVBQESA-N -1 0 363.374 -0.712 20 0 FBADRM O=C([O-])CCNS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O ZINC000263565307 243351788 /nfs/dbraw/zinc/35/17/88/243351788.db2.gz VNXFMPCVWPQZRY-UHFFFAOYSA-N -1 0 370.383 -0.307 20 0 FBADRM CCCN(CC(=O)[O-])CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000263571551 243352067 /nfs/dbraw/zinc/35/20/67/243352067.db2.gz JNSKKTZERGVRPE-UHFFFAOYSA-N -1 0 354.407 -0.236 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CCCC[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000263575769 535344644 /nfs/dbraw/zinc/34/46/44/535344644.db2.gz PNLQHUJMTDTDRA-LLVKDONJSA-N -1 0 366.418 -0.093 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CCCC[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000263575770 535344521 /nfs/dbraw/zinc/34/45/21/535344521.db2.gz PNLQHUJMTDTDRA-NSHDSACASA-N -1 0 366.418 -0.093 20 0 FBADRM C[C@H](C(=O)[O-])N(C)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000263578946 243351715 /nfs/dbraw/zinc/35/17/15/243351715.db2.gz TZJVPNAEJREBIQ-LLVKDONJSA-N -1 0 374.397 -0.235 20 0 FBADRM C[C@@H](C(=O)[O-])N(C)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000263578947 243352587 /nfs/dbraw/zinc/35/25/87/243352587.db2.gz TZJVPNAEJREBIQ-NSHDSACASA-N -1 0 374.397 -0.235 20 0 FBADRM CC(C)CN(CC(=O)NCC(=O)[O-])c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000263578974 243352186 /nfs/dbraw/zinc/35/21/86/243352186.db2.gz UAUFFBNJEIZTEG-UHFFFAOYSA-N -1 0 369.422 -0.150 20 0 FBADRM CCOC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)nnn2[O-] ZINC000263654630 243351994 /nfs/dbraw/zinc/35/19/94/243351994.db2.gz FJYPSNVSMSHWAA-MRVPVSSYSA-N -1 0 372.359 -0.558 20 0 FBADRM CCOC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)nnn2[O-] ZINC000263654633 535629534 /nfs/dbraw/zinc/62/95/34/535629534.db2.gz FJYPSNVSMSHWAA-QMMMGPOBSA-N -1 0 372.359 -0.558 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000263706044 243354604 /nfs/dbraw/zinc/35/46/04/243354604.db2.gz BIAYXJBQEXGQIL-UHFFFAOYSA-N -1 0 364.763 -0.410 20 0 FBADRM CN(CC(=O)N1CCOCC1)C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000263723093 243359081 /nfs/dbraw/zinc/35/90/81/243359081.db2.gz SRKOITZBNLSFGS-UHFFFAOYSA-N -1 0 355.416 -0.011 20 0 FBADRM CCCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000263912326 484315324 /nfs/dbraw/zinc/31/53/24/484315324.db2.gz MGURSPZSCYQXJA-UHFFFAOYSA-N -1 0 358.372 -0.268 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccn(CC(=O)OC)n1 ZINC000263919156 243367244 /nfs/dbraw/zinc/36/72/44/243367244.db2.gz LJELYRSMTASGNX-UHFFFAOYSA-N -1 0 357.348 -0.243 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccn(CC(=O)OC)n2)cn1C ZINC000263920516 536407195 /nfs/dbraw/zinc/40/71/95/536407195.db2.gz MFHAPTXKBMKLDG-UHFFFAOYSA-N -1 0 355.376 -0.445 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCN(CC(N)=O)CC1 ZINC000264161513 243379948 /nfs/dbraw/zinc/37/99/48/243379948.db2.gz JEWGMOZLYKFQHI-UHFFFAOYSA-N -1 0 358.395 -0.560 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])ccc1F ZINC000264173430 535684540 /nfs/dbraw/zinc/68/45/40/535684540.db2.gz WMYKEGNPYAPCNM-UHFFFAOYSA-N -1 0 362.335 -0.519 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@@H]2CC(=O)N(C)C2)c1 ZINC000264183820 534745606 /nfs/dbraw/zinc/74/56/06/534745606.db2.gz ZPHMJCGASJEAFX-LLVKDONJSA-N -1 0 368.415 -0.023 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@H]2CC(=O)N(C)C2)c1 ZINC000264183822 534745423 /nfs/dbraw/zinc/74/54/23/534745423.db2.gz ZPHMJCGASJEAFX-NSHDSACASA-N -1 0 368.415 -0.023 20 0 FBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCS(=O)(=O)NC(C)C ZINC000264232187 243384169 /nfs/dbraw/zinc/38/41/69/243384169.db2.gz MTVFYXRCOZRXAO-UHFFFAOYSA-N -1 0 369.447 -0.374 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N3CCN(CC(N)=O)CC3)cc2[n-]c1=S ZINC000264240155 243382639 /nfs/dbraw/zinc/38/26/39/243382639.db2.gz LFUZLXHVEGBUHX-UHFFFAOYSA-N -1 0 361.427 -0.535 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(CC(N)=O)CC1 ZINC000264292355 243387780 /nfs/dbraw/zinc/38/77/80/243387780.db2.gz XGNOPTAAESNNSZ-UHFFFAOYSA-N -1 0 354.432 -0.309 20 0 FBADRM O=S(=O)([N-]c1nnc[nH]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000264321493 243385252 /nfs/dbraw/zinc/38/52/52/243385252.db2.gz NMPCQHWLCXHOQL-UHFFFAOYSA-N -1 0 373.416 -0.374 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000264445747 243395936 /nfs/dbraw/zinc/39/59/36/243395936.db2.gz CTQZOLBGSSSGCI-UHFFFAOYSA-N -1 0 355.372 -0.708 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCCCN1C(=O)CNC1=O ZINC000264449745 243397695 /nfs/dbraw/zinc/39/76/95/243397695.db2.gz HWKFUTJSMRTWON-UHFFFAOYSA-N -1 0 372.378 -0.131 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(CNC(C)=O)s1)C(=O)[O-] ZINC000264471627 243397791 /nfs/dbraw/zinc/39/77/91/243397791.db2.gz JGNINNVJXDSVFO-VIFPVBQESA-N -1 0 364.401 -0.321 20 0 FBADRM CCCNC(=O)CNC(=O)c1ccc2c(c1)S(=O)(=O)[N-]c1ncnn1-2 ZINC000264578825 484319828 /nfs/dbraw/zinc/31/98/28/484319828.db2.gz NMCMHBODRBIZPE-UHFFFAOYSA-N -1 0 364.387 -0.363 20 0 FBADRM O=C(CN1CC(=O)NC1=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000264631059 484323849 /nfs/dbraw/zinc/32/38/49/484323849.db2.gz CUCFZZSETMNJOS-UHFFFAOYSA-N -1 0 373.457 -0.138 20 0 FBADRM COCCS(=O)(=O)[N-]c1ncn(CC(=O)NCc2ccccc2)n1 ZINC000264631737 243407945 /nfs/dbraw/zinc/40/79/45/243407945.db2.gz KSSIMSIPBFMVEC-UHFFFAOYSA-N -1 0 353.404 -0.017 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000264657568 484325721 /nfs/dbraw/zinc/32/57/21/484325721.db2.gz IFEFPGFWUIFIPB-UHFFFAOYSA-N -1 0 362.433 -0.981 20 0 FBADRM CN1C[C@H](NC(=O)c2ccc3c(c2)S(=O)(=O)[N-]c2ncnn2-3)CC1=O ZINC000264666313 243410327 /nfs/dbraw/zinc/41/03/27/243410327.db2.gz KDLBKSNDBCBKOV-SECBINFHSA-N -1 0 362.371 -0.658 20 0 FBADRM CN1C[C@@H](NC(=O)c2ccc3c(c2)S(=O)(=O)[N-]c2ncnn2-3)CC1=O ZINC000264666317 484326178 /nfs/dbraw/zinc/32/61/78/484326178.db2.gz KDLBKSNDBCBKOV-VIFPVBQESA-N -1 0 362.371 -0.658 20 0 FBADRM COC(=O)C[C@@H](NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)C(=O)OC ZINC000264803949 484335797 /nfs/dbraw/zinc/33/57/97/484335797.db2.gz VENLSZHHZBGWHM-LLVKDONJSA-N -1 0 364.358 -0.597 20 0 FBADRM COC(=O)C[C@H](NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)C(=O)OC ZINC000264803951 484335173 /nfs/dbraw/zinc/33/51/73/484335173.db2.gz VENLSZHHZBGWHM-NSHDSACASA-N -1 0 364.358 -0.597 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cnn(CC(=O)OC)c1 ZINC000264854150 484339008 /nfs/dbraw/zinc/33/90/08/484339008.db2.gz NWFVVYLMGSYQBK-UHFFFAOYSA-N -1 0 357.348 -0.243 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(=O)OC)c2)cn1C ZINC000264876120 485241655 /nfs/dbraw/zinc/24/16/55/485241655.db2.gz VKZIAKNDNZNJQF-UHFFFAOYSA-N -1 0 355.376 -0.445 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NCCN3C(=O)CNC3=O)cc2[n-]c1=S ZINC000264960336 484345355 /nfs/dbraw/zinc/34/53/55/484345355.db2.gz MAUHJEPSJXFRNA-UHFFFAOYSA-N -1 0 361.383 -0.496 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCCN1C(=O)CNC1=O ZINC000264977042 484344813 /nfs/dbraw/zinc/34/48/13/484344813.db2.gz OSRITGPYVULKNT-UHFFFAOYSA-N -1 0 358.351 -0.521 20 0 FBADRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCCN2C(=O)CNC2=O)c1 ZINC000264989096 483842046 /nfs/dbraw/zinc/84/20/46/483842046.db2.gz QXJMWCGGHXFKCH-UHFFFAOYSA-N -1 0 354.388 -0.352 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)c2ccccc2[N-]S(C)(=O)=O)CC1 ZINC000264996537 484346915 /nfs/dbraw/zinc/34/69/15/484346915.db2.gz CUAOGSUIYUICDW-UHFFFAOYSA-N -1 0 368.459 -0.048 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NCCN1C(=O)CNC1=O ZINC000265011070 243435212 /nfs/dbraw/zinc/43/52/12/243435212.db2.gz UPFQZHVEHRPWMC-UHFFFAOYSA-N -1 0 354.388 -0.270 20 0 FBADRM COCCNC(=O)CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000265024700 484348591 /nfs/dbraw/zinc/34/85/91/484348591.db2.gz OACCQKXTALQNRB-UHFFFAOYSA-N -1 0 350.400 -0.436 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000265094039 484354393 /nfs/dbraw/zinc/35/43/93/484354393.db2.gz DMZXJTXWOFIRCO-UHFFFAOYSA-N -1 0 360.374 -0.670 20 0 FBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000265189475 484357098 /nfs/dbraw/zinc/35/70/98/484357098.db2.gz ICVOFYYGBTWNGY-UHFFFAOYSA-N -1 0 372.389 -0.751 20 0 FBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CN1CCCS1(=O)=O ZINC000265218584 484357959 /nfs/dbraw/zinc/35/79/59/484357959.db2.gz NCEKUPASINNLPM-UHFFFAOYSA-N -1 0 353.404 -0.709 20 0 FBADRM CC(=O)N1CCc2ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc21 ZINC000265223913 485243094 /nfs/dbraw/zinc/24/30/94/485243094.db2.gz GPHLYICASKGODN-UHFFFAOYSA-N -1 0 355.372 -0.925 20 0 FBADRM COCCS(=O)(=O)CC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000265227387 484357995 /nfs/dbraw/zinc/35/79/95/484357995.db2.gz OONAMLHPBZCAGW-UHFFFAOYSA-N -1 0 356.404 -0.683 20 0 FBADRM COCCOc1ccc(-n2nc(C)c(C(=O)[N-]N3CC(=O)NC3=O)n2)cc1 ZINC000265257541 243445557 /nfs/dbraw/zinc/44/55/57/243445557.db2.gz BBBCMANWTMFUGT-UHFFFAOYSA-N -1 0 374.357 -0.202 20 0 FBADRM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccn(CC(=O)N2CCOCC2)n1 ZINC000265278540 484359983 /nfs/dbraw/zinc/35/99/83/484359983.db2.gz ITYJHEUSNKCOEQ-UHFFFAOYSA-N -1 0 354.392 -0.426 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]c2ccn(CC(=O)N3CCOCC3)n2)c[nH]1 ZINC000265296084 484361687 /nfs/dbraw/zinc/36/16/87/484361687.db2.gz NMFWNVSCGLLYIR-UHFFFAOYSA-N -1 0 354.392 -0.426 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]c2ccn(CC(=O)N3CCOCC3)n2)cn1C ZINC000265298877 243449384 /nfs/dbraw/zinc/44/93/84/243449384.db2.gz OGAHAJNTOSYMLM-UHFFFAOYSA-N -1 0 368.419 -0.415 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]c2ccn(CC(=O)N3CCOCC3)n2)cn1 ZINC000265303984 484361643 /nfs/dbraw/zinc/36/16/43/484361643.db2.gz PVSBNJAISIJEID-UHFFFAOYSA-N -1 0 368.419 -0.241 20 0 FBADRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccn(CC(=O)N2CCOCC2)n1 ZINC000265317491 484361275 /nfs/dbraw/zinc/36/12/75/484361275.db2.gz UOUVPHCLPORMNW-UHFFFAOYSA-N -1 0 368.419 -0.117 20 0 FBADRM O=C(Cn1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)n1)N1CCOCC1 ZINC000265363938 484365670 /nfs/dbraw/zinc/36/56/70/484365670.db2.gz CHSWQQYMMSGAHJ-GFCCVEGCSA-N -1 0 358.420 -0.337 20 0 FBADRM O=C(Cn1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)n1)N1CCOCC1 ZINC000265363944 484365479 /nfs/dbraw/zinc/36/54/79/484365479.db2.gz CHSWQQYMMSGAHJ-LBPRGKRZSA-N -1 0 358.420 -0.337 20 0 FBADRM CC(=O)N1CCCc2ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc21 ZINC000265438446 484371358 /nfs/dbraw/zinc/37/13/58/484371358.db2.gz JKJSESRVVXOCSB-UHFFFAOYSA-N -1 0 369.399 -0.535 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)CC1 ZINC000265453309 484371901 /nfs/dbraw/zinc/37/19/01/484371901.db2.gz DIOXPQOFNUIOER-UHFFFAOYSA-N -1 0 369.428 -0.415 20 0 FBADRM COCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(=O)OC)cc1 ZINC000265640327 484380620 /nfs/dbraw/zinc/38/06/20/484380620.db2.gz PXNJHQXUZGVZQY-UHFFFAOYSA-N -1 0 366.417 -0.474 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)CC1 ZINC000265774110 484388749 /nfs/dbraw/zinc/38/87/49/484388749.db2.gz FKDLXAXLJONIFK-UHFFFAOYSA-N -1 0 374.401 -0.315 20 0 FBADRM COC(=O)CN(CC(=O)OC)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000265791497 484388834 /nfs/dbraw/zinc/38/88/34/484388834.db2.gz IQVYWVFPWWMMLB-UHFFFAOYSA-N -1 0 364.314 -0.467 20 0 FBADRM COCC(=O)N[C@H](C(=O)Nc1nnc([N-]S(C)(=O)=O)s1)C(C)C ZINC000265865104 484389961 /nfs/dbraw/zinc/38/99/61/484389961.db2.gz GBXQFQMBIZYWHD-QMMMGPOBSA-N -1 0 365.437 -0.365 20 0 FBADRM CC(=O)N1CCN(CCNC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)CC1 ZINC000265867924 484391367 /nfs/dbraw/zinc/39/13/67/484391367.db2.gz YGOKCVWOHLFIBP-UHFFFAOYSA-N -1 0 374.401 -0.362 20 0 FBADRM CN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)[N-]c2ncnn2-3)CC1=O ZINC000265868755 484391528 /nfs/dbraw/zinc/39/15/28/484391528.db2.gz IYZYGLHVEMXQNK-UHFFFAOYSA-N -1 0 362.371 -0.704 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000265948729 243495925 /nfs/dbraw/zinc/49/59/25/243495925.db2.gz UILPAEZISDTNDQ-UHFFFAOYSA-N -1 0 357.344 -0.878 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000265975243 243495354 /nfs/dbraw/zinc/49/53/54/243495354.db2.gz MDXPMSNAIWVSKO-UHFFFAOYSA-N -1 0 364.445 -0.151 20 0 FBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000266036802 484397687 /nfs/dbraw/zinc/39/76/87/484397687.db2.gz FKYLIOAAEKUYFE-UHFFFAOYSA-N -1 0 372.389 -0.500 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]c2cnn(CC(=O)N3CCOCC3)c2)cn1C ZINC000266064456 484397123 /nfs/dbraw/zinc/39/71/23/484397123.db2.gz JIWREUCUVNGIPN-UHFFFAOYSA-N -1 0 368.419 -0.415 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)N3CCOCC3)c2)cn1 ZINC000266066220 484397888 /nfs/dbraw/zinc/39/78/88/484397888.db2.gz JQPLWEAFDZKCAQ-UHFFFAOYSA-N -1 0 368.419 -0.241 20 0 FBADRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cnn(CC(=O)N2CCOCC2)c1 ZINC000266072961 484397789 /nfs/dbraw/zinc/39/77/89/484397789.db2.gz LNAOUYYPJUMGEG-UHFFFAOYSA-N -1 0 368.419 -0.117 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)NCCOC)c2)cn1 ZINC000266074509 484399269 /nfs/dbraw/zinc/39/92/69/484399269.db2.gz LWXVGPYOFMYDRB-UHFFFAOYSA-N -1 0 356.408 -0.337 20 0 FBADRM Cc1n[nH]cc1S(=O)(=O)[N-]c1cnn(CC(=O)N2CCOCC2)c1 ZINC000266092849 484399225 /nfs/dbraw/zinc/39/92/25/484399225.db2.gz QXCZTXRLJUIAIP-UHFFFAOYSA-N -1 0 354.392 -0.426 20 0 FBADRM COCCNC(=O)Cn1cc([N-]S(=O)(=O)c2cn(C)c(C)n2)cn1 ZINC000266098056 484399233 /nfs/dbraw/zinc/39/92/33/484399233.db2.gz SCJOXELZSXXMJR-UHFFFAOYSA-N -1 0 356.408 -0.512 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]c2cnn(CC(=O)N3CCOCC3)c2)c[nH]1 ZINC000266101038 484400186 /nfs/dbraw/zinc/40/01/86/484400186.db2.gz SNEVPMPFDQXNFX-UHFFFAOYSA-N -1 0 354.392 -0.426 20 0 FBADRM COCCNC(=O)Cn1cc([N-]S(=O)(=O)c2c(C)n[nH]c2C)cn1 ZINC000266105221 484400099 /nfs/dbraw/zinc/40/00/99/484400099.db2.gz UOXRBWVLACPREH-UHFFFAOYSA-N -1 0 356.408 -0.214 20 0 FBADRM COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000266120870 484401067 /nfs/dbraw/zinc/40/10/67/484401067.db2.gz YONJKGKAJBROPT-UHFFFAOYSA-N -1 0 364.763 -0.394 20 0 FBADRM Cc1cc(C(=O)NCCN2CCCS2(=O)=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000266128653 484401154 /nfs/dbraw/zinc/40/11/54/484401154.db2.gz JQPNEFDNCCQQIB-UHFFFAOYSA-N -1 0 367.387 -0.490 20 0 FBADRM COc1cc(C(=O)NCCNC(C)=O)cc([N-]S(C)(=O)=O)c1OC ZINC000266207752 484404965 /nfs/dbraw/zinc/40/49/65/484404965.db2.gz DQIBYWCVLXYJTF-UHFFFAOYSA-N -1 0 359.404 -0.059 20 0 FBADRM CN([C@H]1CCCN(C)C1)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000266209456 484071391 /nfs/dbraw/zinc/07/13/91/484071391.db2.gz PZTRZOAGKWZUTR-JTQLQIEISA-N -1 0 367.431 -0.251 20 0 FBADRM CN([C@@H]1CCCN(C)C1)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000266209460 484070874 /nfs/dbraw/zinc/07/08/74/484070874.db2.gz PZTRZOAGKWZUTR-SNVBAGLBSA-N -1 0 367.431 -0.251 20 0 FBADRM COc1cc(C(=O)N2CCNC(=O)C2)cc([N-]S(C)(=O)=O)c1OC ZINC000266222940 484406730 /nfs/dbraw/zinc/40/67/30/484406730.db2.gz JOEBZEFLDVGCQH-UHFFFAOYSA-N -1 0 357.388 -0.353 20 0 FBADRM CCCCN(C(=O)CS(=O)(=O)c1ncc[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000266223081 484406053 /nfs/dbraw/zinc/40/60/53/484406053.db2.gz FQEGDAPUKIBCMO-LLVKDONJSA-N -1 0 363.461 -0.001 20 0 FBADRM CCCCN(C(=O)CS(=O)(=O)c1ncc[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000266223082 484406524 /nfs/dbraw/zinc/40/65/24/484406524.db2.gz FQEGDAPUKIBCMO-NSHDSACASA-N -1 0 363.461 -0.001 20 0 FBADRM Cn1cnc2c1c(=O)n(CCCS(=O)(=O)c1ncc[n-]1)c(=O)n2C ZINC000266243425 484406578 /nfs/dbraw/zinc/40/65/78/484406578.db2.gz MVZILYXJHALOFM-UHFFFAOYSA-N -1 0 352.376 -0.979 20 0 FBADRM COc1cc(C(=O)N2CCN(C)C(=O)C2)cc([N-]S(C)(=O)=O)c1OC ZINC000266287231 484408404 /nfs/dbraw/zinc/40/84/04/484408404.db2.gz HEFMUIMHTUTMEW-UHFFFAOYSA-N -1 0 371.415 -0.011 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)n1 ZINC000266299617 484408812 /nfs/dbraw/zinc/40/88/12/484408812.db2.gz BDBZSPVPIAWYTP-UHFFFAOYSA-N -1 0 367.387 -0.080 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)c1 ZINC000266307650 484408885 /nfs/dbraw/zinc/40/88/85/484408885.db2.gz DFSHCIVEWYCIKN-UHFFFAOYSA-N -1 0 367.387 -0.046 20 0 FBADRM CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)n1 ZINC000266333168 484409702 /nfs/dbraw/zinc/40/97/02/484409702.db2.gz KWRWSHNKLZDJGO-UHFFFAOYSA-N -1 0 367.387 -0.062 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2C)n1 ZINC000266350751 484410102 /nfs/dbraw/zinc/41/01/02/484410102.db2.gz PLMHMHSRPJQOGI-UHFFFAOYSA-N -1 0 367.387 -0.080 20 0 FBADRM CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2cccc3c2OCCO3)n1 ZINC000266353240 484409781 /nfs/dbraw/zinc/40/97/81/484409781.db2.gz PXYREPPUJIKXDJ-UHFFFAOYSA-N -1 0 367.387 -0.062 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)n1 ZINC000266354593 484409738 /nfs/dbraw/zinc/40/97/38/484409738.db2.gz QGFYPVPRVQDTRE-UHFFFAOYSA-N -1 0 367.387 -0.014 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)cc1 ZINC000266360815 484409339 /nfs/dbraw/zinc/40/93/39/484409339.db2.gz SBJBQGPTJWERAV-UHFFFAOYSA-N -1 0 367.387 -0.046 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2C)n1 ZINC000266362105 484411829 /nfs/dbraw/zinc/41/18/29/484411829.db2.gz SDSIJYGZHSCTPV-UHFFFAOYSA-N -1 0 367.387 -0.080 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)OC)c(C)c2)n1 ZINC000266381008 484410826 /nfs/dbraw/zinc/41/08/26/484410826.db2.gz XVBTYPZRICHSIO-UHFFFAOYSA-N -1 0 367.387 -0.080 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])CC1 ZINC000266493849 484413329 /nfs/dbraw/zinc/41/33/29/484413329.db2.gz XREVHUWDQZFQDO-UHFFFAOYSA-N -1 0 369.378 -0.322 20 0 FBADRM CN(C)C(=O)CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000266701666 484420001 /nfs/dbraw/zinc/42/00/01/484420001.db2.gz CVXGPNPYHCUBRL-UHFFFAOYSA-N -1 0 355.416 -0.005 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)n1 ZINC000266732518 484420337 /nfs/dbraw/zinc/42/03/37/484420337.db2.gz JXDFROCEBXXUCG-UHFFFAOYSA-N -1 0 367.387 -0.080 20 0 FBADRM CNC(=O)CN(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000266749966 484421264 /nfs/dbraw/zinc/42/12/64/484421264.db2.gz NRYOEXFCNZRULG-UHFFFAOYSA-N -1 0 355.416 -0.005 20 0 FBADRM O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])N1CCNC(=O)C1 ZINC000266781377 243533069 /nfs/dbraw/zinc/53/30/69/243533069.db2.gz VDVRLNUCNBDTGD-UHFFFAOYSA-N -1 0 353.400 -0.251 20 0 FBADRM Cc1cc(C(=O)NCCCNS(C)(=O)=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000266782584 484422777 /nfs/dbraw/zinc/42/27/77/484422777.db2.gz CTHSOPDERLHFCT-UHFFFAOYSA-N -1 0 355.376 -0.586 20 0 FBADRM Cc1cc(C(=O)NCCC(=O)N2CCN(C)CC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000266802715 484423935 /nfs/dbraw/zinc/42/39/35/484423935.db2.gz DHICURKNNOPFHC-UHFFFAOYSA-N -1 0 374.401 -0.362 20 0 FBADRM COCCN(CC(=O)N(C)C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000266804206 484423980 /nfs/dbraw/zinc/42/39/80/484423980.db2.gz DNIWXIJBERYBOJ-UHFFFAOYSA-N -1 0 363.374 -0.079 20 0 FBADRM COC(=O)C[C@@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1)C(=O)OC ZINC000266819145 484425325 /nfs/dbraw/zinc/42/53/25/484425325.db2.gz KGRPTISSVPSSJF-MRVPVSSYSA-N -1 0 364.314 -0.421 20 0 FBADRM COC(=O)C[C@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1)C(=O)OC ZINC000266819146 484425245 /nfs/dbraw/zinc/42/52/45/484425245.db2.gz KGRPTISSVPSSJF-QMMMGPOBSA-N -1 0 364.314 -0.421 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000266819201 484425682 /nfs/dbraw/zinc/42/56/82/484425682.db2.gz KIVLMJDAHYOTLI-AWEZNQCLSA-N -1 0 372.381 -0.022 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000266819203 484425744 /nfs/dbraw/zinc/42/57/44/484425744.db2.gz KIVLMJDAHYOTLI-CQSZACIVSA-N -1 0 372.381 -0.022 20 0 FBADRM Cc1ccc(-n2[n-]c(C(=O)N3CCN(S(N)(=O)=O)CC3)cc2=O)cc1 ZINC000266822187 243533890 /nfs/dbraw/zinc/53/38/90/243533890.db2.gz JXINGLYSYHUZQV-UHFFFAOYSA-N -1 0 365.415 -0.565 20 0 FBADRM Cc1cc(C(=O)NCCC(=O)N2CCOCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000266841468 484427363 /nfs/dbraw/zinc/42/73/63/484427363.db2.gz PHEOUIODPCEWAC-UHFFFAOYSA-N -1 0 361.358 -0.277 20 0 FBADRM Cc1cc(C(=O)NCCCN2C(=O)CNC2=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000266842253 484426928 /nfs/dbraw/zinc/42/69/28/484426928.db2.gz OLKGKAUIMHKTNM-UHFFFAOYSA-N -1 0 360.330 -0.584 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000266850302 484426740 /nfs/dbraw/zinc/42/67/40/484426740.db2.gz QZAVQJAXROZUJD-UHFFFAOYSA-N -1 0 355.376 -0.586 20 0 FBADRM Cc1cc(C(=O)NCCOCCS(C)(=O)=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000266880697 484430199 /nfs/dbraw/zinc/43/01/99/484430199.db2.gz JLROLKGSSIHLNJ-UHFFFAOYSA-N -1 0 370.387 -0.465 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000266886703 484430217 /nfs/dbraw/zinc/43/02/17/484430217.db2.gz UZPVUDAATQLLRD-UHFFFAOYSA-N -1 0 369.403 -0.196 20 0 FBADRM CCOC(=O)CN(CC(N)=O)C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000266895096 484430548 /nfs/dbraw/zinc/43/05/48/484430548.db2.gz XKWYGBVPNXKOST-UHFFFAOYSA-N -1 0 360.370 -0.035 20 0 FBADRM Cc1cc(C(=O)NCCS(=O)(=O)NC(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000266899534 484429800 /nfs/dbraw/zinc/42/98/00/484429800.db2.gz YOLSKTZVVUGHSN-UHFFFAOYSA-N -1 0 369.403 -0.198 20 0 FBADRM NC(=O)CN1CCN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000266915508 484431910 /nfs/dbraw/zinc/43/19/10/484431910.db2.gz FZZJQUYMCCPDTJ-UHFFFAOYSA-N -1 0 361.427 -0.685 20 0 FBADRM CS(=O)(=O)NCCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000266924775 484431389 /nfs/dbraw/zinc/43/13/89/484431389.db2.gz JUMDNGPMCPGZLH-UHFFFAOYSA-N -1 0 356.429 -0.649 20 0 FBADRM O=C(Cn1c(=S)[n-]c2ccccc2c1=O)NCCN1C(=O)CNC1=O ZINC000266926118 484431968 /nfs/dbraw/zinc/43/19/68/484431968.db2.gz KKRYGPNKIRXUBB-UHFFFAOYSA-N -1 0 361.383 -0.647 20 0 FBADRM CS(=O)(=O)NCCCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000266933827 484431862 /nfs/dbraw/zinc/43/18/62/484431862.db2.gz NIAOROXFMPFWGJ-UHFFFAOYSA-N -1 0 370.456 -0.259 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000266945262 484432970 /nfs/dbraw/zinc/43/29/70/484432970.db2.gz RFVKWRLJHXZXMH-UHFFFAOYSA-N -1 0 370.456 -0.259 20 0 FBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CCS(=O)(=O)CC1 ZINC000266964254 484432797 /nfs/dbraw/zinc/43/27/97/484432797.db2.gz YZZPZIXSBBYGLM-UHFFFAOYSA-N -1 0 353.425 -0.058 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)CSc1n[n-]c(=S)s1 ZINC000266970207 484433330 /nfs/dbraw/zinc/43/33/30/484433330.db2.gz BIFSZRACNXAYFH-LURJTMIESA-N -1 0 362.458 -0.191 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CSc1n[n-]c(=S)s1 ZINC000266970208 484432665 /nfs/dbraw/zinc/43/26/65/484432665.db2.gz BIFSZRACNXAYFH-ZCFIWIBFSA-N -1 0 362.458 -0.191 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)C(=O)[O-] ZINC000266989399 243544500 /nfs/dbraw/zinc/54/45/00/243544500.db2.gz ACKZGDGWKLJCIL-LBPRGKRZSA-N -1 0 370.383 -0.110 20 0 FBADRM O=C(CSc1n[n-]c(=S)s1)NCCN1CCS(=O)(=O)CC1 ZINC000266992673 484434090 /nfs/dbraw/zinc/43/40/90/484434090.db2.gz JSJXGWFPCWMFBV-UHFFFAOYSA-N -1 0 368.531 -0.235 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)CSc2n[n-]c(=S)s2)CC1 ZINC000266999096 484434001 /nfs/dbraw/zinc/43/40/01/484434001.db2.gz XQGBZLRACIABOB-UHFFFAOYSA-N -1 0 355.492 -0.733 20 0 FBADRM COC(=O)c1cc(C)c(C)c(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000267004845 484434686 /nfs/dbraw/zinc/43/46/86/484434686.db2.gz DUAFTZPIHWAGAJ-UHFFFAOYSA-N -1 0 358.372 -0.431 20 0 FBADRM CC(=O)N1CCc2cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])ccc21 ZINC000267008397 485245846 /nfs/dbraw/zinc/24/58/46/485245846.db2.gz LHKNCAJUTJQSGW-UHFFFAOYSA-N -1 0 355.372 -0.925 20 0 FBADRM CCOC(=O)CN(CC(N)=O)C(=O)CSc1n[n-]c(=S)s1 ZINC000267027286 484435649 /nfs/dbraw/zinc/43/56/49/484435649.db2.gz QYXNPPJSDONJFO-UHFFFAOYSA-N -1 0 350.447 -0.204 20 0 FBADRM COC(=O)c1cn(CC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)nn1 ZINC000267063353 484437183 /nfs/dbraw/zinc/43/71/83/484437183.db2.gz XPTHDEKXAZEPNF-UHFFFAOYSA-N -1 0 359.346 -0.666 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC000267139297 484439848 /nfs/dbraw/zinc/43/98/48/484439848.db2.gz JSTUDUTVWPLAPC-NSHDSACASA-N -1 0 355.372 -0.580 20 0 FBADRM COC(=O)c1cc(OC)c(S(=O)(=O)NCC(=O)NCC(=O)[O-])s1 ZINC000267140672 484440145 /nfs/dbraw/zinc/44/01/45/484440145.db2.gz IBTINOZJJAVFIH-UHFFFAOYSA-N -1 0 366.373 -0.978 20 0 FBADRM CCN(CC)C(=O)CN(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267207002 535426071 /nfs/dbraw/zinc/42/60/71/535426071.db2.gz AXXMDKRVJBMVHF-UHFFFAOYSA-N -1 0 369.403 -0.075 20 0 FBADRM C[C@H](Cn1cncn1)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267218658 484443172 /nfs/dbraw/zinc/44/31/72/484443172.db2.gz CPTKKJZOZSSNOC-SSDOTTSWSA-N -1 0 351.348 -0.606 20 0 FBADRM C[C@@H](Cn1cncn1)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267218659 484443913 /nfs/dbraw/zinc/44/39/13/484443913.db2.gz CPTKKJZOZSSNOC-ZETCQYMHSA-N -1 0 351.348 -0.606 20 0 FBADRM COCCN(CCOC)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267255934 484443430 /nfs/dbraw/zinc/44/34/30/484443430.db2.gz JGKUUASLQZBPPH-UHFFFAOYSA-N -1 0 358.376 -0.281 20 0 FBADRM C[C@H](CN1CCOCC1)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267267722 484443614 /nfs/dbraw/zinc/44/36/14/484443614.db2.gz LRLNQKUHLRTQNO-SECBINFHSA-N -1 0 369.403 -0.565 20 0 FBADRM C[C@@H](CN1CCOCC1)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267267725 484443722 /nfs/dbraw/zinc/44/37/22/484443722.db2.gz LRLNQKUHLRTQNO-VIFPVBQESA-N -1 0 369.403 -0.565 20 0 FBADRM CCCCN(CC(N)=O)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267273407 484445456 /nfs/dbraw/zinc/44/54/56/484445456.db2.gz NBEGWEVPCAPDPZ-UHFFFAOYSA-N -1 0 355.376 -0.288 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCCN3CCOCC3)cc-2c(=O)[n-]1 ZINC000267275448 484444662 /nfs/dbraw/zinc/44/46/62/484444662.db2.gz NQQKWMWADVWRIR-UHFFFAOYSA-N -1 0 355.376 -0.954 20 0 FBADRM CC(C)CN(CC(N)=O)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267291162 484445329 /nfs/dbraw/zinc/44/53/29/484445329.db2.gz RITSXLHTWKWOQI-UHFFFAOYSA-N -1 0 355.376 -0.432 20 0 FBADRM Cn1cc(S(=O)(=O)NCCc2ccc(C(=O)[O-])cc2)c(=O)n(C)c1=O ZINC000267294534 485246204 /nfs/dbraw/zinc/24/62/04/485246204.db2.gz ARPKWLXZDJWBTE-UHFFFAOYSA-N -1 0 367.383 -0.697 20 0 FBADRM CC1(C)C(=O)NCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267295438 484444541 /nfs/dbraw/zinc/44/45/41/484444541.db2.gz SOQDTUBOMPOBRN-UHFFFAOYSA-N -1 0 353.360 -0.665 20 0 FBADRM CCNC(=O)CN(CC)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267297530 484445000 /nfs/dbraw/zinc/44/50/00/484445000.db2.gz TVXUUULEDICUHV-UHFFFAOYSA-N -1 0 355.376 -0.417 20 0 FBADRM CCCN(CC(=O)NC)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267309917 484444784 /nfs/dbraw/zinc/44/47/84/484444784.db2.gz XADYXKSVNSFADD-UHFFFAOYSA-N -1 0 355.376 -0.417 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCCCN3CCOCC3)cc-2c(=O)[n-]1 ZINC000267313951 243562048 /nfs/dbraw/zinc/56/20/48/243562048.db2.gz XUUTZNLTQRIGQJ-UHFFFAOYSA-N -1 0 369.403 -0.563 20 0 FBADRM CC(C)OCCS(=O)(=O)[N-]c1ccn(CC(=O)N2CCOCC2)n1 ZINC000267362603 484449491 /nfs/dbraw/zinc/44/94/91/484449491.db2.gz SHNPKNHKFTYJDH-UHFFFAOYSA-N -1 0 360.436 -0.091 20 0 FBADRM COCCOCCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000267384524 243565302 /nfs/dbraw/zinc/56/53/02/243565302.db2.gz VHBVDZMQSLWZEM-UHFFFAOYSA-N -1 0 374.415 -0.168 20 0 FBADRM CNC(=O)CN1CCN(C(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)CC1 ZINC000267403143 484450675 /nfs/dbraw/zinc/45/06/75/484450675.db2.gz SKPPVCJBDSKUKP-UHFFFAOYSA-N -1 0 368.459 -0.130 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)oc1C ZINC000267501163 484456399 /nfs/dbraw/zinc/45/63/99/484456399.db2.gz HGTZUZLTLAMVLF-UHFFFAOYSA-N -1 0 371.375 -0.145 20 0 FBADRM CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000267543949 484457618 /nfs/dbraw/zinc/45/76/18/484457618.db2.gz AZDWQMXHHIOKMM-LLVKDONJSA-N -1 0 351.407 -0.842 20 0 FBADRM CC[C@H](C)NC(=O)CN1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000267543952 484457109 /nfs/dbraw/zinc/45/71/09/484457109.db2.gz AZDWQMXHHIOKMM-NSHDSACASA-N -1 0 351.407 -0.842 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000267546829 484457066 /nfs/dbraw/zinc/45/70/66/484457066.db2.gz BRVUOLPFHXRQRO-UHFFFAOYSA-N -1 0 366.399 -0.334 20 0 FBADRM CCN(CC)C(=O)CN1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000267546860 535431594 /nfs/dbraw/zinc/43/15/94/535431594.db2.gz BUOLDKVOGHWLNU-UHFFFAOYSA-N -1 0 351.407 -0.888 20 0 FBADRM C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC000267549242 484457604 /nfs/dbraw/zinc/45/76/04/484457604.db2.gz CKDFJCRSQRHYPI-CYBMUJFWSA-N -1 0 372.429 -0.179 20 0 FBADRM C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC000267549245 484457076 /nfs/dbraw/zinc/45/70/76/484457076.db2.gz CKDFJCRSQRHYPI-ZDUSSCGKSA-N -1 0 372.429 -0.179 20 0 FBADRM Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000267551203 484456922 /nfs/dbraw/zinc/45/69/22/484456922.db2.gz CGOOLXOEPBRMAC-UHFFFAOYSA-N -1 0 360.418 -0.206 20 0 FBADRM CCN(CC)C(=O)CN1CCCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000267555058 484459032 /nfs/dbraw/zinc/45/90/32/484459032.db2.gz DYKWSLKTVVSHCE-UHFFFAOYSA-N -1 0 365.434 -0.498 20 0 FBADRM CCC[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1nnn[n-]1 ZINC000267557213 484458146 /nfs/dbraw/zinc/45/81/46/484458146.db2.gz FVVAJFLFNXHKHZ-JTQLQIEISA-N -1 0 351.392 -0.345 20 0 FBADRM CCC[C@@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1nnn[n-]1 ZINC000267557214 484458462 /nfs/dbraw/zinc/45/84/62/484458462.db2.gz FVVAJFLFNXHKHZ-SNVBAGLBSA-N -1 0 351.392 -0.345 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000267558681 484459276 /nfs/dbraw/zinc/45/92/76/484459276.db2.gz GOFDCYYROQVXQY-GHMZBOCLSA-N -1 0 352.391 -0.511 20 0 FBADRM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000267558682 484459301 /nfs/dbraw/zinc/45/93/01/484459301.db2.gz GOFDCYYROQVXQY-MNOVXSKESA-N -1 0 352.391 -0.511 20 0 FBADRM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000267558683 243576304 /nfs/dbraw/zinc/57/63/04/243576304.db2.gz GOFDCYYROQVXQY-QWRGUYRKSA-N -1 0 352.391 -0.511 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000267558684 243577054 /nfs/dbraw/zinc/57/70/54/243577054.db2.gz GOFDCYYROQVXQY-WDEREUQCSA-N -1 0 352.391 -0.511 20 0 FBADRM CCc1nsc(N2CCN(C(=O)c3cnc([O-])n(C)c3=O)CC2)n1 ZINC000267562871 484458649 /nfs/dbraw/zinc/45/86/49/484458649.db2.gz FVPOYERJADLBLB-UHFFFAOYSA-N -1 0 350.404 -0.138 20 0 FBADRM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cnc([O-])n(C)c2=O)cc1 ZINC000267567049 536321481 /nfs/dbraw/zinc/32/14/81/536321481.db2.gz GPDGUIJPRUVHHS-SECBINFHSA-N -1 0 366.399 -0.115 20 0 FBADRM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cnc([O-])n(C)c2=O)cc1 ZINC000267567052 484458402 /nfs/dbraw/zinc/45/84/02/484458402.db2.gz GPDGUIJPRUVHHS-VIFPVBQESA-N -1 0 366.399 -0.115 20 0 FBADRM CN(C)C(=O)COc1cccc(CNC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000267602446 243582176 /nfs/dbraw/zinc/58/21/76/243582176.db2.gz NEHFKXAZEMHDBI-UHFFFAOYSA-N -1 0 360.370 -0.117 20 0 FBADRM COC(=O)[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(C)C ZINC000267603078 484462181 /nfs/dbraw/zinc/46/21/81/484462181.db2.gz BFHGBFIYRPMCEM-VIFPVBQESA-N -1 0 356.360 -0.088 20 0 FBADRM CC(C)(C)C(=O)NCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267608537 484461243 /nfs/dbraw/zinc/46/12/43/484461243.db2.gz GTNSKFHCFGAPSI-UHFFFAOYSA-N -1 0 369.403 -0.123 20 0 FBADRM COC(=O)[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)Cc1ccc(O)cc1 ZINC000267609560 484462120 /nfs/dbraw/zinc/46/21/20/484462120.db2.gz ONJCFTSOBFJUGX-LLVKDONJSA-N -1 0 361.354 -0.047 20 0 FBADRM COC(=O)[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)Cc1ccc(O)cc1 ZINC000267609565 484461797 /nfs/dbraw/zinc/46/17/97/484461797.db2.gz ONJCFTSOBFJUGX-NSHDSACASA-N -1 0 361.354 -0.047 20 0 FBADRM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000267612692 484462343 /nfs/dbraw/zinc/46/23/43/484462343.db2.gz PAXBJEYZHXVUKL-SECBINFHSA-N -1 0 366.399 -0.115 20 0 FBADRM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000267612694 484462104 /nfs/dbraw/zinc/46/21/04/484462104.db2.gz PAXBJEYZHXVUKL-VIFPVBQESA-N -1 0 366.399 -0.115 20 0 FBADRM CCCN(CC(=O)N(C)C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267613071 484461588 /nfs/dbraw/zinc/46/15/88/484461588.db2.gz CZEDSUUHDCPLHK-UHFFFAOYSA-N -1 0 369.403 -0.075 20 0 FBADRM CN(CCN1CCOCC1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267614067 484461637 /nfs/dbraw/zinc/46/16/37/484461637.db2.gz ILWUBVHHDTVGMT-UHFFFAOYSA-N -1 0 369.403 -0.611 20 0 FBADRM COC(=O)CN(C1CC1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267618560 484463224 /nfs/dbraw/zinc/46/32/24/484463224.db2.gz KAQFZIXULORFNS-UHFFFAOYSA-N -1 0 354.344 -0.238 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@@H]3CCCCNC3=O)cc-2c(=O)[n-]1 ZINC000267619629 484463805 /nfs/dbraw/zinc/46/38/05/484463805.db2.gz FHDRTHRIICXGCT-SECBINFHSA-N -1 0 353.360 -0.617 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@H]3CCCCNC3=O)cc-2c(=O)[n-]1 ZINC000267619630 484463689 /nfs/dbraw/zinc/46/36/89/484463689.db2.gz FHDRTHRIICXGCT-VIFPVBQESA-N -1 0 353.360 -0.617 20 0 FBADRM O=C1OCCN1CCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267620069 484463208 /nfs/dbraw/zinc/46/32/08/484463208.db2.gz KRVNBAWPQXHLDK-UHFFFAOYSA-N -1 0 369.359 -0.443 20 0 FBADRM COC(=O)CSCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267622689 484463718 /nfs/dbraw/zinc/46/37/18/484463718.db2.gz LNECWNXILCGEPI-UHFFFAOYSA-N -1 0 374.400 -0.380 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCCN3CCSCC3)cc-2c(=O)[n-]1 ZINC000267622784 484463388 /nfs/dbraw/zinc/46/33/88/484463388.db2.gz LPCPBXLGLFKBRR-UHFFFAOYSA-N -1 0 371.444 -0.237 20 0 FBADRM CC(C)N1CC[C@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1=O ZINC000267623789 484463567 /nfs/dbraw/zinc/46/35/67/484463567.db2.gz LXTFPBOZVLBKNY-JTQLQIEISA-N -1 0 367.387 -0.276 20 0 FBADRM CC(C)N1CC[C@@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1=O ZINC000267623794 484463741 /nfs/dbraw/zinc/46/37/41/484463741.db2.gz LXTFPBOZVLBKNY-SNVBAGLBSA-N -1 0 367.387 -0.276 20 0 FBADRM COC(=O)[C@@]1(F)CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000267623932 484463269 /nfs/dbraw/zinc/46/32/69/484463269.db2.gz MAAKMGYORACDLW-CYBMUJFWSA-N -1 0 372.334 -0.288 20 0 FBADRM COC(=O)[C@]1(F)CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000267623940 484462972 /nfs/dbraw/zinc/46/29/72/484462972.db2.gz MAAKMGYORACDLW-ZDUSSCGKSA-N -1 0 372.334 -0.288 20 0 FBADRM CN(C)C(=O)CCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267624906 484462700 /nfs/dbraw/zinc/46/27/00/484462700.db2.gz GOOYCAGGPOMYMH-UHFFFAOYSA-N -1 0 355.376 -0.417 20 0 FBADRM CN1C[C@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCC1=O ZINC000267625383 484463887 /nfs/dbraw/zinc/46/38/87/484463887.db2.gz MIHWTQFFMNVHHC-SSDOTTSWSA-N -1 0 353.360 -0.665 20 0 FBADRM CN1C[C@@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCC1=O ZINC000267625388 484463473 /nfs/dbraw/zinc/46/34/73/484463473.db2.gz MIHWTQFFMNVHHC-ZETCQYMHSA-N -1 0 353.360 -0.665 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000267629696 484463655 /nfs/dbraw/zinc/46/36/55/484463655.db2.gz FSAQYTBQAVRZBO-CYBMUJFWSA-N -1 0 371.459 -0.177 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000267629698 484463284 /nfs/dbraw/zinc/46/32/84/484463284.db2.gz FSAQYTBQAVRZBO-ZDUSSCGKSA-N -1 0 371.459 -0.177 20 0 FBADRM NC(=O)C1(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCCC1 ZINC000267630916 484463796 /nfs/dbraw/zinc/46/37/96/484463796.db2.gz NWJYAXUFRYXYII-UHFFFAOYSA-N -1 0 367.387 -0.240 20 0 FBADRM COCCN1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000267631245 484463869 /nfs/dbraw/zinc/46/38/69/484463869.db2.gz HTGBWIZASXYLBM-UHFFFAOYSA-N -1 0 369.403 -0.611 20 0 FBADRM CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267632223 484463747 /nfs/dbraw/zinc/46/37/47/484463747.db2.gz OGOJYILZBDCXLU-SECBINFHSA-N -1 0 353.360 -0.665 20 0 FBADRM CC[C@H]1C(=O)NCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267632225 484463698 /nfs/dbraw/zinc/46/36/98/484463698.db2.gz OGOJYILZBDCXLU-VIFPVBQESA-N -1 0 353.360 -0.665 20 0 FBADRM COCCN(CC(=O)OC)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267636265 484462814 /nfs/dbraw/zinc/46/28/14/484462814.db2.gz POENNKOEBPLERX-UHFFFAOYSA-N -1 0 372.359 -0.754 20 0 FBADRM CC(C)(C)[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(N)=O ZINC000267638786 484464390 /nfs/dbraw/zinc/46/43/90/484464390.db2.gz QHKBDTLSWVELDL-MRVPVSSYSA-N -1 0 355.376 -0.386 20 0 FBADRM CC(C)(C)[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(N)=O ZINC000267638790 484465406 /nfs/dbraw/zinc/46/54/06/484465406.db2.gz QHKBDTLSWVELDL-QMMMGPOBSA-N -1 0 355.376 -0.386 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)c2cnc([O-])n(C)c2=O)s1 ZINC000267641754 484464425 /nfs/dbraw/zinc/46/44/25/484464425.db2.gz ZHBFPWDOVSGZAI-UHFFFAOYSA-N -1 0 358.401 -0.615 20 0 FBADRM O=C(CCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)NC1CC1 ZINC000267649068 484465517 /nfs/dbraw/zinc/46/55/17/484465517.db2.gz LBILSNWYMBQLDI-UHFFFAOYSA-N -1 0 367.387 -0.227 20 0 FBADRM O=C(CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)OCC1CC1 ZINC000267651968 484464746 /nfs/dbraw/zinc/46/47/46/484464746.db2.gz UTHKLXZEWSXZQZ-UHFFFAOYSA-N -1 0 354.344 -0.333 20 0 FBADRM CCS(=O)(=O)CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267658083 484465237 /nfs/dbraw/zinc/46/52/37/484465237.db2.gz WIQHJDHXLHQMBE-UHFFFAOYSA-N -1 0 362.389 -0.851 20 0 FBADRM CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267658134 484466299 /nfs/dbraw/zinc/46/62/99/484466299.db2.gz WJLFCJDRHNDCES-JTQLQIEISA-N -1 0 367.387 -0.419 20 0 FBADRM CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267658139 243586358 /nfs/dbraw/zinc/58/63/58/243586358.db2.gz WJLFCJDRHNDCES-SNVBAGLBSA-N -1 0 367.387 -0.419 20 0 FBADRM CCNC(=O)COc1cccc(CNC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000267661819 243585165 /nfs/dbraw/zinc/58/51/65/243585165.db2.gz TYXWPBUKOLAXQC-UHFFFAOYSA-N -1 0 360.370 -0.069 20 0 FBADRM O=C1C[C@@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CN1C1CC1 ZINC000267673088 484467103 /nfs/dbraw/zinc/46/71/03/484467103.db2.gz ZXLVNZNAMFHJKU-SSDOTTSWSA-N -1 0 365.371 -0.522 20 0 FBADRM O=C1C[C@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CN1C1CC1 ZINC000267673090 484466189 /nfs/dbraw/zinc/46/61/89/484466189.db2.gz ZXLVNZNAMFHJKU-ZETCQYMHSA-N -1 0 365.371 -0.522 20 0 FBADRM CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267685199 484468657 /nfs/dbraw/zinc/46/86/57/484468657.db2.gz QRTSXGSYBMUNFH-JTQLQIEISA-N -1 0 367.387 -0.275 20 0 FBADRM CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267685209 484468595 /nfs/dbraw/zinc/46/85/95/484468595.db2.gz QRTSXGSYBMUNFH-SNVBAGLBSA-N -1 0 367.387 -0.275 20 0 FBADRM CCc1noc([C@H](C)N2CCN(C(=O)c3cnc([O-])n(C)c3=O)CC2)n1 ZINC000267687505 484467829 /nfs/dbraw/zinc/46/78/29/484467829.db2.gz XWPLPOFLCUNOBH-JTQLQIEISA-N -1 0 362.390 -0.050 20 0 FBADRM CCc1noc([C@@H](C)N2CCN(C(=O)c3cnc([O-])n(C)c3=O)CC2)n1 ZINC000267687508 484467712 /nfs/dbraw/zinc/46/77/12/484467712.db2.gz XWPLPOFLCUNOBH-SNVBAGLBSA-N -1 0 362.390 -0.050 20 0 FBADRM O=C(NCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1 ZINC000267689286 484468567 /nfs/dbraw/zinc/46/85/67/484468567.db2.gz RFDHWNQDQMKZGQ-UHFFFAOYSA-N -1 0 353.360 -0.760 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)c2cnc([O-])n(C)c2=O)cc1 ZINC000267709832 243592292 /nfs/dbraw/zinc/59/22/92/243592292.db2.gz RZDNXSJFEAAMLP-UHFFFAOYSA-N -1 0 366.399 -0.497 20 0 FBADRM CC(C)C(=O)NCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267715055 484469515 /nfs/dbraw/zinc/46/95/15/484469515.db2.gz WFAPXUQRTZRUEZ-UHFFFAOYSA-N -1 0 355.376 -0.514 20 0 FBADRM O=C1CCCN1CCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267717014 484469073 /nfs/dbraw/zinc/46/90/73/484469073.db2.gz WPLCQNURRJKHTM-UHFFFAOYSA-N -1 0 367.387 -0.273 20 0 FBADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000267721316 484471293 /nfs/dbraw/zinc/47/12/93/484471293.db2.gz XIKOILPRMLFLOL-SSDOTTSWSA-N -1 0 354.344 -0.380 20 0 FBADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000267721319 484470646 /nfs/dbraw/zinc/47/06/46/484470646.db2.gz XIKOILPRMLFLOL-ZETCQYMHSA-N -1 0 354.344 -0.380 20 0 FBADRM CCC[C@@H](NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1nnn[n-]1 ZINC000267723043 484471133 /nfs/dbraw/zinc/47/11/33/484471133.db2.gz VKXVNVYWDSFSHN-SECBINFHSA-N -1 0 358.362 -0.584 20 0 FBADRM CCC[C@H](NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1nnn[n-]1 ZINC000267723048 484471317 /nfs/dbraw/zinc/47/13/17/484471317.db2.gz VKXVNVYWDSFSHN-VIFPVBQESA-N -1 0 358.362 -0.584 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCN(C4CC4)CC3)cc-2c(=O)[n-]1 ZINC000267725629 484353941 /nfs/dbraw/zinc/35/39/41/484353941.db2.gz XYFGFNKYSJOECL-UHFFFAOYSA-N -1 0 351.388 -0.095 20 0 FBADRM CCC[C@H](NC(=O)CNC1=NS(=O)(=O)c2ccccc21)c1nnn[n-]1 ZINC000267725646 484471233 /nfs/dbraw/zinc/47/12/33/484471233.db2.gz VVFLLNCFKNFHFL-JTQLQIEISA-N -1 0 363.403 -0.104 20 0 FBADRM CCC[C@@H](NC(=O)CNC1=NS(=O)(=O)c2ccccc21)c1nnn[n-]1 ZINC000267725649 484470683 /nfs/dbraw/zinc/47/06/83/484470683.db2.gz VVFLLNCFKNFHFL-SNVBAGLBSA-N -1 0 363.403 -0.104 20 0 FBADRM O=C(CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCCCC1 ZINC000267725742 484470456 /nfs/dbraw/zinc/47/04/56/484470456.db2.gz YBOYALUVTAHICF-UHFFFAOYSA-N -1 0 367.387 -0.273 20 0 FBADRM COC(=O)[C@@H]1CCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267735564 484471115 /nfs/dbraw/zinc/47/11/15/484471115.db2.gz ZUTBADIXONGDRD-VIFPVBQESA-N -1 0 354.344 -0.238 20 0 FBADRM CCC(CC)(NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(N)=O ZINC000267736742 484470500 /nfs/dbraw/zinc/47/05/00/484470500.db2.gz ZWVVNWXFDIPLCN-UHFFFAOYSA-N -1 0 355.376 -0.242 20 0 FBADRM C[C@H](CN1CCCC1=O)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267736753 484470926 /nfs/dbraw/zinc/47/09/26/484470926.db2.gz ZWXZVYQMCKROQU-MRVPVSSYSA-N -1 0 367.387 -0.275 20 0 FBADRM C[C@@H](CN1CCCC1=O)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267736758 484470790 /nfs/dbraw/zinc/47/07/90/484470790.db2.gz ZWXZVYQMCKROQU-QMMMGPOBSA-N -1 0 367.387 -0.275 20 0 FBADRM CC[C@@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)N1CCOCC1 ZINC000267757239 484471955 /nfs/dbraw/zinc/47/19/55/484471955.db2.gz CYHKDXYLXAIQRQ-LLVKDONJSA-N -1 0 361.358 -0.197 20 0 FBADRM CC[C@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)N1CCOCC1 ZINC000267757240 484471689 /nfs/dbraw/zinc/47/16/89/484471689.db2.gz CYHKDXYLXAIQRQ-NSHDSACASA-N -1 0 361.358 -0.197 20 0 FBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CCN2C(=O)NC[C@H]2C1 ZINC000267759812 484471642 /nfs/dbraw/zinc/47/16/42/484471642.db2.gz DCFKZHUWZWITKA-JTQLQIEISA-N -1 0 359.411 -0.079 20 0 FBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CCN2C(=O)NC[C@@H]2C1 ZINC000267759813 484472309 /nfs/dbraw/zinc/47/23/09/484472309.db2.gz DCFKZHUWZWITKA-SNVBAGLBSA-N -1 0 359.411 -0.079 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1 ZINC000267839298 484476111 /nfs/dbraw/zinc/47/61/11/484476111.db2.gz MYVKNGUNALJZOW-UHFFFAOYSA-N -1 0 369.378 -0.322 20 0 FBADRM Cc1cc(O)cc(=O)n1CC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000267843689 484475568 /nfs/dbraw/zinc/47/55/68/484475568.db2.gz OAESMXXZMAKCCV-UHFFFAOYSA-N -1 0 359.389 -0.276 20 0 FBADRM C[C@H](CO[C@H]1CCOC1)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267860278 484477208 /nfs/dbraw/zinc/47/72/08/484477208.db2.gz IMEOMUHABQVVDB-BDAKNGLRSA-N -1 0 370.387 -0.092 20 0 FBADRM C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267860280 484477071 /nfs/dbraw/zinc/47/70/71/484477071.db2.gz IMEOMUHABQVVDB-DTWKUNHWSA-N -1 0 370.387 -0.092 20 0 FBADRM C[C@@H](CO[C@H]1CCOC1)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267860282 484477261 /nfs/dbraw/zinc/47/72/61/484477261.db2.gz IMEOMUHABQVVDB-IUCAKERBSA-N -1 0 370.387 -0.092 20 0 FBADRM C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267860284 484476909 /nfs/dbraw/zinc/47/69/09/484476909.db2.gz IMEOMUHABQVVDB-RKDXNWHRSA-N -1 0 370.387 -0.092 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cn1 ZINC000267888575 484477888 /nfs/dbraw/zinc/47/78/88/484477888.db2.gz SOQYNNJZRUZTRF-UHFFFAOYSA-N -1 0 364.387 -0.351 20 0 FBADRM CNC(=O)CN1CCN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)CC1 ZINC000267967617 484481449 /nfs/dbraw/zinc/48/14/49/484481449.db2.gz FOXGRXJKQPITPY-UHFFFAOYSA-N -1 0 372.422 -0.299 20 0 FBADRM CNC(=O)CN1CCN(C(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)CC1 ZINC000267983909 484482091 /nfs/dbraw/zinc/48/20/91/484482091.db2.gz IWJBXNQXYLXQSV-UHFFFAOYSA-N -1 0 357.414 -0.022 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc(F)c1F ZINC000268016011 243614509 /nfs/dbraw/zinc/61/45/09/243614509.db2.gz TVVOFWVZMCEFNI-UHFFFAOYSA-N -1 0 366.298 -0.770 20 0 FBADRM NC(=O)C1(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCCCC1 ZINC000268035223 484483851 /nfs/dbraw/zinc/48/38/51/484483851.db2.gz MAIDLMGSSMSTQR-UHFFFAOYSA-N -1 0 367.387 -0.098 20 0 FBADRM COC(=O)[C@@]1(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCOC1 ZINC000268044274 484485464 /nfs/dbraw/zinc/48/54/64/484485464.db2.gz ISWSNQCNGNQOEO-CYBMUJFWSA-N -1 0 370.343 -0.954 20 0 FBADRM COC(=O)[C@]1(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCOC1 ZINC000268044275 484486096 /nfs/dbraw/zinc/48/60/96/484486096.db2.gz ISWSNQCNGNQOEO-ZDUSSCGKSA-N -1 0 370.343 -0.954 20 0 FBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000268052880 484474167 /nfs/dbraw/zinc/47/41/67/484474167.db2.gz QIGWRFUEARJBSZ-GFCCVEGCSA-N -1 0 363.418 -0.745 20 0 FBADRM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000268052881 484474398 /nfs/dbraw/zinc/47/43/98/484474398.db2.gz QIGWRFUEARJBSZ-LBPRGKRZSA-N -1 0 363.418 -0.745 20 0 FBADRM CN1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C(C)(C)C1=O ZINC000268067856 484485525 /nfs/dbraw/zinc/48/55/25/484485525.db2.gz QECCCGVWZSCJET-UHFFFAOYSA-N -1 0 367.387 -0.323 20 0 FBADRM COC[C@@](C)(NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)OC ZINC000268099048 484487915 /nfs/dbraw/zinc/48/79/15/484487915.db2.gz AQYBUJLPMGHNMM-CYBMUJFWSA-N -1 0 372.359 -0.708 20 0 FBADRM COC[C@](C)(NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)OC ZINC000268099053 484488573 /nfs/dbraw/zinc/48/85/73/484488573.db2.gz AQYBUJLPMGHNMM-ZDUSSCGKSA-N -1 0 372.359 -0.708 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])ccc1Cl ZINC000268120920 484488746 /nfs/dbraw/zinc/48/87/46/484488746.db2.gz HJZXLWJKCISORI-UHFFFAOYSA-N -1 0 364.763 -0.394 20 0 FBADRM CCC[C@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1nnn[n-]1 ZINC000268138704 484490288 /nfs/dbraw/zinc/49/02/88/484490288.db2.gz CXTBLCMFFIRIJB-JTQLQIEISA-N -1 0 358.362 -0.584 20 0 FBADRM CCC[C@@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1nnn[n-]1 ZINC000268138709 484490577 /nfs/dbraw/zinc/49/05/77/484490577.db2.gz CXTBLCMFFIRIJB-SNVBAGLBSA-N -1 0 358.362 -0.584 20 0 FBADRM CCC[C@@H](NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1)c1nnn[n-]1 ZINC000268153496 484489991 /nfs/dbraw/zinc/48/99/91/484489991.db2.gz GSWOZFSQTCGVCP-SECBINFHSA-N -1 0 372.389 -0.275 20 0 FBADRM CCC[C@H](NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1)c1nnn[n-]1 ZINC000268153501 484491990 /nfs/dbraw/zinc/49/19/90/484491990.db2.gz GSWOZFSQTCGVCP-VIFPVBQESA-N -1 0 372.389 -0.275 20 0 FBADRM CCC[C@@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)c1nnn[n-]1 ZINC000268165376 484491670 /nfs/dbraw/zinc/49/16/70/484491670.db2.gz IWIXBWIGKZZROF-SSDOTTSWSA-N -1 0 372.183 -0.118 20 0 FBADRM CCC[C@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)c1nnn[n-]1 ZINC000268165380 484491587 /nfs/dbraw/zinc/49/15/87/484491587.db2.gz IWIXBWIGKZZROF-ZETCQYMHSA-N -1 0 372.183 -0.118 20 0 FBADRM NC(=O)NC(=O)CCNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000268221361 484493208 /nfs/dbraw/zinc/49/32/08/484493208.db2.gz QJPKPASQZRGBCU-UHFFFAOYSA-N -1 0 363.399 -0.224 20 0 FBADRM CCC[C@H](NC(=O)c1cc(S(=O)(=O)NCCOC)c[nH]1)c1nnn[n-]1 ZINC000268239401 484494553 /nfs/dbraw/zinc/49/45/53/484494553.db2.gz UOJCRSKAXFYFMR-JTQLQIEISA-N -1 0 371.423 -0.276 20 0 FBADRM CCC[C@@H](NC(=O)c1cc(S(=O)(=O)NCCOC)c[nH]1)c1nnn[n-]1 ZINC000268239405 484494464 /nfs/dbraw/zinc/49/44/64/484494464.db2.gz UOJCRSKAXFYFMR-SNVBAGLBSA-N -1 0 371.423 -0.276 20 0 FBADRM CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)c1nnn[n-]1 ZINC000268259376 484494269 /nfs/dbraw/zinc/49/42/69/484494269.db2.gz YTQRXNKYQXBWFV-LLVKDONJSA-N -1 0 366.403 -0.270 20 0 FBADRM CCC[C@H](NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)c1nnn[n-]1 ZINC000268259377 484494649 /nfs/dbraw/zinc/49/46/49/484494649.db2.gz YTQRXNKYQXBWFV-NSHDSACASA-N -1 0 366.403 -0.270 20 0 FBADRM NC(=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000268265361 484495378 /nfs/dbraw/zinc/49/53/78/484495378.db2.gz ROXYWINMAXKCIW-PSASIEDQSA-N -1 0 367.387 -0.242 20 0 FBADRM NC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000268265363 484495733 /nfs/dbraw/zinc/49/57/33/484495733.db2.gz ROXYWINMAXKCIW-SCZZXKLOSA-N -1 0 367.387 -0.242 20 0 FBADRM NC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000268265365 484495884 /nfs/dbraw/zinc/49/58/84/484495884.db2.gz ROXYWINMAXKCIW-WCBMZHEXSA-N -1 0 367.387 -0.242 20 0 FBADRM NC(=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000268265367 484495998 /nfs/dbraw/zinc/49/59/98/484495998.db2.gz ROXYWINMAXKCIW-WPRPVWTQSA-N -1 0 367.387 -0.242 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000268274924 484495665 /nfs/dbraw/zinc/49/56/65/484495665.db2.gz VZLHQOQMHHECKX-UHFFFAOYSA-N -1 0 370.387 -0.076 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCCCO[C@@H]3CCOC3)cc-2c(=O)[n-]1 ZINC000268299125 484496711 /nfs/dbraw/zinc/49/67/11/484496711.db2.gz WLHYLGYFLJHQEV-SECBINFHSA-N -1 0 370.387 -0.090 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCCCO[C@H]3CCOC3)cc-2c(=O)[n-]1 ZINC000268299133 484496471 /nfs/dbraw/zinc/49/64/71/484496471.db2.gz WLHYLGYFLJHQEV-VIFPVBQESA-N -1 0 370.387 -0.090 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000268389706 243636554 /nfs/dbraw/zinc/63/65/54/243636554.db2.gz OLKNFBSULYDNNF-BXKDBHETSA-N -1 0 359.379 -0.040 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000268389709 484500598 /nfs/dbraw/zinc/50/05/98/484500598.db2.gz OLKNFBSULYDNNF-CABZTGNLSA-N -1 0 359.379 -0.040 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000268389712 243637902 /nfs/dbraw/zinc/63/79/02/243637902.db2.gz OLKNFBSULYDNNF-JOYOIKCWSA-N -1 0 359.379 -0.040 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000268389714 484500383 /nfs/dbraw/zinc/50/03/83/484500383.db2.gz OLKNFBSULYDNNF-SKDRFNHKSA-N -1 0 359.379 -0.040 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)cc2[n-]c1=S ZINC000268406952 484501594 /nfs/dbraw/zinc/50/15/94/484501594.db2.gz SZBNGNCGMKJMMM-BXKDBHETSA-N -1 0 362.411 -0.015 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)cc2[n-]c1=S ZINC000268406953 484501853 /nfs/dbraw/zinc/50/18/53/484501853.db2.gz SZBNGNCGMKJMMM-CABZTGNLSA-N -1 0 362.411 -0.015 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)cc2[n-]c1=S ZINC000268406954 484501362 /nfs/dbraw/zinc/50/13/62/484501362.db2.gz SZBNGNCGMKJMMM-JOYOIKCWSA-N -1 0 362.411 -0.015 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)cc2[n-]c1=S ZINC000268406955 484501841 /nfs/dbraw/zinc/50/18/41/484501841.db2.gz SZBNGNCGMKJMMM-SKDRFNHKSA-N -1 0 362.411 -0.015 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000268424499 485251506 /nfs/dbraw/zinc/25/15/06/485251506.db2.gz BRGPTRHKWMRTQK-UHFFFAOYSA-N -1 0 351.402 -0.188 20 0 FBADRM COCc1n[n-]c(S(=O)(=O)CC(=O)NCCOc2ccccc2)n1 ZINC000268516240 483426283 /nfs/dbraw/zinc/42/62/83/483426283.db2.gz YLGGVLVWGOJMBC-UHFFFAOYSA-N -1 0 354.388 -0.080 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1n[nH]c(SCCO)n1 ZINC000268553920 483427562 /nfs/dbraw/zinc/42/75/62/483427562.db2.gz HPBJJPWBWLEMMU-UHFFFAOYSA-N -1 0 373.416 -0.203 20 0 FBADRM CCC(=O)N1CC[C@@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000268577289 483428790 /nfs/dbraw/zinc/42/87/90/483428790.db2.gz ROSCQLXVKRRFRB-MRVPVSSYSA-N -1 0 367.387 -0.275 20 0 FBADRM CCC(=O)N1CC[C@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000268577294 483428472 /nfs/dbraw/zinc/42/84/72/483428472.db2.gz ROSCQLXVKRRFRB-QMMMGPOBSA-N -1 0 367.387 -0.275 20 0 FBADRM O=C(Nc1n[nH]c(SCCO)n1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000268582290 483429036 /nfs/dbraw/zinc/42/90/36/483429036.db2.gz OGAHVVOETVHDCT-UHFFFAOYSA-N -1 0 370.416 -0.675 20 0 FBADRM C[C@H](NC(=O)CS(=O)(=O)c1n[nH]c(C2CC2)n1)C(=O)N1CCCCC1 ZINC000268586167 483428951 /nfs/dbraw/zinc/42/89/51/483428951.db2.gz CXISMXXUOYFQDB-JTQLQIEISA-N -1 0 369.447 -0.027 20 0 FBADRM C[C@@H](NC(=O)CS(=O)(=O)c1n[nH]c(C2CC2)n1)C(=O)N1CCCCC1 ZINC000268586170 483428859 /nfs/dbraw/zinc/42/88/59/483428859.db2.gz CXISMXXUOYFQDB-SNVBAGLBSA-N -1 0 369.447 -0.027 20 0 FBADRM Cc1csc(S([O-])=CC(=O)NCCCN(C)S(C)(=O)=O)n1 ZINC000268589304 243654752 /nfs/dbraw/zinc/65/47/52/243654752.db2.gz DLJPLWLSRSKLQL-FQEVSTJZSA-N -1 0 353.491 -0.043 20 0 FBADRM Cc1csc(S([O-])=CC(=O)NCCCN(C)S(C)(=O)=O)n1 ZINC000268589307 483428447 /nfs/dbraw/zinc/42/84/47/483428447.db2.gz DLJPLWLSRSKLQL-HXUWFJFHSA-N -1 0 353.491 -0.043 20 0 FBADRM CC(C)N(CCCNC(=O)CS(=O)(=O)c1ncc[n-]1)S(C)(=O)=O ZINC000268645732 483430895 /nfs/dbraw/zinc/43/08/95/483430895.db2.gz PACLLFRJAHFOPH-UHFFFAOYSA-N -1 0 366.465 -0.640 20 0 FBADRM COC(=O)C(C)(C)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000268661660 483432073 /nfs/dbraw/zinc/43/20/73/483432073.db2.gz XDEJMLMWSMRZBB-UHFFFAOYSA-N -1 0 364.445 -0.164 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccccc3O)CC2)C1=O ZINC000268665687 483432391 /nfs/dbraw/zinc/43/23/91/483432391.db2.gz SECZHFYOZDPAGG-UHFFFAOYSA-N -1 0 374.353 -0.903 20 0 FBADRM CCc1c[nH]c(S(=O)(=O)CC(=O)NCCCN(C)S(C)(=O)=O)n1 ZINC000268667740 483432407 /nfs/dbraw/zinc/43/24/07/483432407.db2.gz UAQINLNLEDVGHB-UHFFFAOYSA-N -1 0 366.465 -0.857 20 0 FBADRM CCNS(=O)(=O)c1ccc(CNC(=O)c2cn(C)c(=O)[nH]c2=O)cc1 ZINC000268674766 483432810 /nfs/dbraw/zinc/43/28/10/483432810.db2.gz IVXDJTZQBKXERE-UHFFFAOYSA-N -1 0 366.399 -0.286 20 0 FBADRM COc1ccc(C[C@@H](CO)CNC(=O)c2cnc([O-])n(C)c2=O)cc1O ZINC000268761269 483436365 /nfs/dbraw/zinc/43/63/65/483436365.db2.gz VOHGTEQRQDPWSG-LLVKDONJSA-N -1 0 363.370 -0.219 20 0 FBADRM COc1ccc(C[C@H](CO)CNC(=O)c2cnc([O-])n(C)c2=O)cc1O ZINC000268761270 483435832 /nfs/dbraw/zinc/43/58/32/483435832.db2.gz VOHGTEQRQDPWSG-NSHDSACASA-N -1 0 363.370 -0.219 20 0 FBADRM NC(=O)CCNC(=O)c1ccccc1[N-]S(=O)(=O)N1CCOCC1 ZINC000268771444 483435812 /nfs/dbraw/zinc/43/58/12/483435812.db2.gz LUMNJNZDKCAXHL-UHFFFAOYSA-N -1 0 356.404 -0.719 20 0 FBADRM Cc1nnnn1-c1cc(NS(=O)(=O)N2CCOCC2)ccc1C(=O)[O-] ZINC000268772223 483435917 /nfs/dbraw/zinc/43/59/17/483435917.db2.gz MEZMWKYJTLFAMB-UHFFFAOYSA-N -1 0 368.375 -0.342 20 0 FBADRM CS(=O)(=O)c1cc(NS(=O)(=O)N2CCOCC2)cc(C(=O)[O-])c1 ZINC000268906781 483439743 /nfs/dbraw/zinc/43/97/43/483439743.db2.gz XTKRHCIBKZVTQK-UHFFFAOYSA-N -1 0 364.401 -0.223 20 0 FBADRM O=C([O-])c1cccc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1 ZINC000268926602 483440455 /nfs/dbraw/zinc/44/04/55/483440455.db2.gz WHMBLBMVVDPUAO-UHFFFAOYSA-N -1 0 360.370 -0.313 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000268944010 483439914 /nfs/dbraw/zinc/43/99/14/483439914.db2.gz GHNNDBSMJOLHCW-UHFFFAOYSA-N -1 0 365.386 -0.201 20 0 FBADRM Cn1cc(/C=C/C(=O)N2CCSC[C@H]2CC(=O)[O-])c(=O)n(C)c1=O ZINC000268971745 483441020 /nfs/dbraw/zinc/44/10/20/483441020.db2.gz HLOBEZDHAULRAB-PGLGOXFNSA-N -1 0 353.400 -0.484 20 0 FBADRM Cn1cc(/C=C/C(=O)N2CCSC[C@@H]2CC(=O)[O-])c(=O)n(C)c1=O ZINC000268971748 483441468 /nfs/dbraw/zinc/44/14/68/483441468.db2.gz HLOBEZDHAULRAB-UFFNRZRYSA-N -1 0 353.400 -0.484 20 0 FBADRM COc1cc(/C=C/C(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1OCC(N)=O ZINC000268992484 243674041 /nfs/dbraw/zinc/67/40/41/243674041.db2.gz TWKSNNGTIZYUDA-OGOUPESXSA-N -1 0 364.354 -0.116 20 0 FBADRM COc1cc(/C=C/C(=O)N2CCOC[C@H]2C(=O)[O-])ccc1OCC(N)=O ZINC000268992487 483440950 /nfs/dbraw/zinc/44/09/50/483440950.db2.gz TWKSNNGTIZYUDA-PYEVWLCESA-N -1 0 364.354 -0.116 20 0 FBADRM CON(C)S(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000268992716 243675583 /nfs/dbraw/zinc/67/55/83/243675583.db2.gz UGDYNECJIKUDIM-GFCCVEGCSA-N -1 0 358.372 -0.206 20 0 FBADRM CON(C)S(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000268992720 243672717 /nfs/dbraw/zinc/67/27/17/243672717.db2.gz UGDYNECJIKUDIM-LBPRGKRZSA-N -1 0 358.372 -0.206 20 0 FBADRM C[C@@H](C(=O)[O-])N(C)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000269080425 483446463 /nfs/dbraw/zinc/44/64/63/483446463.db2.gz FZWUJEUAWLHHTB-LURJTMIESA-N -1 0 372.179 -0.176 20 0 FBADRM C[C@H](C(=O)[O-])N(C)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000269080430 483446438 /nfs/dbraw/zinc/44/64/38/483446438.db2.gz FZWUJEUAWLHHTB-ZCFIWIBFSA-N -1 0 372.179 -0.176 20 0 FBADRM CN(CCC(=O)[O-])C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000269086109 483446180 /nfs/dbraw/zinc/44/61/80/483446180.db2.gz MPZRCVHDGCJIFR-UHFFFAOYSA-N -1 0 372.179 -0.174 20 0 FBADRM CC(C)C[C@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)C(=O)[O-] ZINC000269088518 483445724 /nfs/dbraw/zinc/44/57/24/483445724.db2.gz PMXLHQXZJJYGIH-JTQLQIEISA-N -1 0 360.392 -0.993 20 0 FBADRM CN(CC(=O)[O-])C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000269116678 483447104 /nfs/dbraw/zinc/44/71/04/483447104.db2.gz FZAYDQCTJGTHIV-UHFFFAOYSA-N -1 0 358.152 -0.565 20 0 FBADRM COCCOCCS(=O)(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000269160762 483450400 /nfs/dbraw/zinc/45/04/00/483450400.db2.gz SZEDRNNJLDCGDJ-UHFFFAOYSA-N -1 0 360.388 -0.094 20 0 FBADRM COc1ncnc(N(C)C)c1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000269164883 483450332 /nfs/dbraw/zinc/45/03/32/483450332.db2.gz VHSLIGWPLMOKCK-UHFFFAOYSA-N -1 0 354.392 -0.211 20 0 FBADRM CCOC(=O)[C@H](C)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000269269455 483452588 /nfs/dbraw/zinc/45/25/88/483452588.db2.gz FMSZAMFRHRGCFJ-SSDOTTSWSA-N -1 0 356.360 -0.087 20 0 FBADRM CCOC(=O)[C@@H](C)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000269269459 483453078 /nfs/dbraw/zinc/45/30/78/483453078.db2.gz FMSZAMFRHRGCFJ-ZETCQYMHSA-N -1 0 356.360 -0.087 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C(=O)NC)cc2)C1=O ZINC000269282287 483452376 /nfs/dbraw/zinc/45/23/76/483452376.db2.gz RFYNPOUPVNPFCN-AWEZNQCLSA-N -1 0 354.388 -0.040 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C(=O)NC)cc2)C1=O ZINC000269282288 483452981 /nfs/dbraw/zinc/45/29/81/483452981.db2.gz RFYNPOUPVNPFCN-CQSZACIVSA-N -1 0 354.388 -0.040 20 0 FBADRM COC(=O)N1CC(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000269283187 483453931 /nfs/dbraw/zinc/45/39/31/483453931.db2.gz LEQRHRBENACCSU-UHFFFAOYSA-N -1 0 355.332 -0.835 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000269335691 483456520 /nfs/dbraw/zinc/45/65/20/483456520.db2.gz ZIQCBJXSGFXGCS-UHFFFAOYSA-N -1 0 370.387 -0.076 20 0 FBADRM C[C@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)[O-] ZINC000269376523 483457856 /nfs/dbraw/zinc/45/78/56/483457856.db2.gz NSVJEKGVWANBJS-YFKPBYRVSA-N -1 0 358.152 -0.518 20 0 FBADRM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N[C@@H]1CCC(=O)NC1=O ZINC000269404174 483459100 /nfs/dbraw/zinc/45/91/00/483459100.db2.gz DACXFQFDZJOJJA-LLVKDONJSA-N -1 0 360.395 -0.003 20 0 FBADRM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N[C@H]1CCC(=O)NC1=O ZINC000269404178 483459050 /nfs/dbraw/zinc/45/90/50/483459050.db2.gz DACXFQFDZJOJJA-NSHDSACASA-N -1 0 360.395 -0.003 20 0 FBADRM COC(=O)C1(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCC1 ZINC000269482564 243707119 /nfs/dbraw/zinc/70/71/19/243707119.db2.gz LWHGJGOWTJXOCF-UHFFFAOYSA-N -1 0 354.344 -0.190 20 0 FBADRM CCNC(=O)C(C)(C)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000269487594 483463302 /nfs/dbraw/zinc/46/33/02/483463302.db2.gz IAMRADQFSKSJDA-UHFFFAOYSA-N -1 0 369.403 -0.123 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)c2cnc([O-])n(C)c2=O)s1 ZINC000269492717 483463415 /nfs/dbraw/zinc/46/34/15/483463415.db2.gz OYQNCDJGHIWPJV-UHFFFAOYSA-N -1 0 372.428 -0.436 20 0 FBADRM CN(CCNC(=O)c1cnc([O-])n(C)c1=O)S(=O)(=O)c1cccs1 ZINC000269497019 483462947 /nfs/dbraw/zinc/46/29/47/483462947.db2.gz PTGGXBDQLHDQAN-UHFFFAOYSA-N -1 0 372.428 -0.402 20 0 FBADRM CNC(=O)C(C)(C)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000269532897 483465738 /nfs/dbraw/zinc/46/57/38/483465738.db2.gz XCBCYFXWPNIMDB-UHFFFAOYSA-N -1 0 355.376 -0.514 20 0 FBADRM NC(=O)COCCNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000269541837 483465957 /nfs/dbraw/zinc/46/59/57/483465957.db2.gz QFTSEBIQZKSKCE-UHFFFAOYSA-N -1 0 350.400 -0.307 20 0 FBADRM NC(=O)COCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000269564189 483468610 /nfs/dbraw/zinc/46/86/10/483468610.db2.gz ZTYJERJDJSGDQG-UHFFFAOYSA-N -1 0 371.415 -0.592 20 0 FBADRM O=C(CNC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F)NCCO ZINC000269577114 483467984 /nfs/dbraw/zinc/46/79/84/483467984.db2.gz VKIIGHIELJVXFA-UHFFFAOYSA-N -1 0 369.321 -0.214 20 0 FBADRM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)NCC(=O)NCCO ZINC000269578161 483469871 /nfs/dbraw/zinc/46/98/71/483469871.db2.gz VSEAIDRRJAUMSO-UHFFFAOYSA-N -1 0 350.400 -0.700 20 0 FBADRM COCCn1cc(S(=O)(=O)[N-]c2ccccc2S(N)(=O)=O)cn1 ZINC000269591881 483469821 /nfs/dbraw/zinc/46/98/21/483469821.db2.gz DTVDPRZXPZFUDD-UHFFFAOYSA-N -1 0 360.417 -0.022 20 0 FBADRM COCCn1cc(S(=O)(=O)[N-]c2cnc(OC)c(C(N)=O)c2)cn1 ZINC000269613390 483470688 /nfs/dbraw/zinc/47/06/88/483470688.db2.gz KUKOTYXUKUEEBM-UHFFFAOYSA-N -1 0 355.376 -0.167 20 0 FBADRM COCCn1cc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cn1 ZINC000269628512 483472314 /nfs/dbraw/zinc/47/23/14/483472314.db2.gz OUWMWGSJIKTTIK-UHFFFAOYSA-N -1 0 360.417 -0.022 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NC[C@H](O)C(F)(F)F)cc-2c(=O)[n-]1 ZINC000269667475 483475140 /nfs/dbraw/zinc/47/51/40/483475140.db2.gz CQVRRQXZKYDHOF-LURJTMIESA-N -1 0 354.266 -0.363 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NC[C@@H](O)C(F)(F)F)cc-2c(=O)[n-]1 ZINC000269667479 483474676 /nfs/dbraw/zinc/47/46/76/483474676.db2.gz CQVRRQXZKYDHOF-ZCFIWIBFSA-N -1 0 354.266 -0.363 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1Cl ZINC000269677135 483475922 /nfs/dbraw/zinc/47/59/22/483475922.db2.gz PPZUPMQYGATDFT-UHFFFAOYSA-N -1 0 364.763 -0.394 20 0 FBADRM COC(=O)C[C@@H]([N-]S(=O)(=O)Cc1ccccc1C(=O)OC)C(=O)OC ZINC000269680705 483476216 /nfs/dbraw/zinc/47/62/16/483476216.db2.gz SFJCJXBPAYELNB-GFCCVEGCSA-N -1 0 373.383 -0.003 20 0 FBADRM COC(=O)C[C@H]([N-]S(=O)(=O)Cc1ccccc1C(=O)OC)C(=O)OC ZINC000269680708 483476861 /nfs/dbraw/zinc/47/68/61/483476861.db2.gz SFJCJXBPAYELNB-LBPRGKRZSA-N -1 0 373.383 -0.003 20 0 FBADRM O=C(C(=O)N1CCN(C(=O)c2ccc(F)cc2[O-])CC1)N1CCOCC1 ZINC000269696876 484594776 /nfs/dbraw/zinc/59/47/76/484594776.db2.gz IPZCFLAKRGFKCO-UHFFFAOYSA-N -1 0 365.361 -0.326 20 0 FBADRM CSC[C@](C)(O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000269744618 483478887 /nfs/dbraw/zinc/47/88/87/483478887.db2.gz FYVSBDFOBLTPDU-GFCCVEGCSA-N -1 0 360.417 -0.172 20 0 FBADRM CSC[C@@](C)(O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000269744620 483479391 /nfs/dbraw/zinc/47/93/91/483479391.db2.gz FYVSBDFOBLTPDU-LBPRGKRZSA-N -1 0 360.417 -0.172 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCCSCCCO)cc-2c(=O)[n-]1 ZINC000269761633 483480524 /nfs/dbraw/zinc/48/05/24/483480524.db2.gz CZKSNUWTGQWMIE-UHFFFAOYSA-N -1 0 360.417 -0.170 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NC[C@]3(O)CCSC3)cc-2c(=O)[n-]1 ZINC000269764376 483481559 /nfs/dbraw/zinc/48/15/59/483481559.db2.gz CVNKWAGGSQPUSR-GFCCVEGCSA-N -1 0 358.401 -0.418 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NC[C@@]3(O)CCSC3)cc-2c(=O)[n-]1 ZINC000269764380 483481615 /nfs/dbraw/zinc/48/16/15/483481615.db2.gz CVNKWAGGSQPUSR-LBPRGKRZSA-N -1 0 358.401 -0.418 20 0 FBADRM COCC[C@@](C)(O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000269799629 483483861 /nfs/dbraw/zinc/48/38/61/483483861.db2.gz SDUGHUORUBJJSO-CYBMUJFWSA-N -1 0 358.376 -0.498 20 0 FBADRM COCC[C@](C)(O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000269799630 483483706 /nfs/dbraw/zinc/48/37/06/483483706.db2.gz SDUGHUORUBJJSO-ZDUSSCGKSA-N -1 0 358.376 -0.498 20 0 FBADRM COCCOCCS(=O)(=O)[N-]c1cc(F)cc(S(N)(=O)=O)c1 ZINC000269942836 483492879 /nfs/dbraw/zinc/49/28/79/483492879.db2.gz GWUXELBLRCWLFZ-UHFFFAOYSA-N -1 0 356.397 -0.122 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCCOCCS(C)(=O)=O)c(C)o1 ZINC000269983538 483494984 /nfs/dbraw/zinc/49/49/84/483494984.db2.gz NQRPALCHXKXLLA-UHFFFAOYSA-N -1 0 369.417 -0.286 20 0 FBADRM COCCOCCS(=O)(=O)[N-]c1ccccc1C(=O)NCCC(N)=O ZINC000269986089 536520817 /nfs/dbraw/zinc/52/08/17/536520817.db2.gz SJHPZEDNJPDTRP-UHFFFAOYSA-N -1 0 373.431 -0.304 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)c(C)o1 ZINC000269994951 483495080 /nfs/dbraw/zinc/49/50/80/483495080.db2.gz VYNNOWXGIIDTDT-UHFFFAOYSA-N -1 0 371.375 -0.145 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000270006093 483495253 /nfs/dbraw/zinc/49/52/53/483495253.db2.gz YLKOBRGUFNWRIW-SECBINFHSA-N -1 0 367.387 -0.410 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)C(=O)[O-] ZINC000270046085 483497797 /nfs/dbraw/zinc/49/77/97/483497797.db2.gz KWSOYLSHGFAQAF-CPCISQLKSA-N -1 0 360.392 -0.993 20 0 FBADRM COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000270054171 536496918 /nfs/dbraw/zinc/49/69/18/536496918.db2.gz IUFDESUJAVTMAB-UHFFFAOYSA-N -1 0 364.763 -0.394 20 0 FBADRM COC[C@H](O)CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000270069495 483498150 /nfs/dbraw/zinc/49/81/50/483498150.db2.gz JIEUWXKNNLCFBO-LLVKDONJSA-N -1 0 358.416 -0.086 20 0 FBADRM COC[C@@H](O)CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000270069497 483498083 /nfs/dbraw/zinc/49/80/83/483498083.db2.gz JIEUWXKNNLCFBO-NSHDSACASA-N -1 0 358.416 -0.086 20 0 FBADRM CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000270345449 483504838 /nfs/dbraw/zinc/50/48/38/483504838.db2.gz AAEPAROABLWHAK-HZGVNTEJSA-N -1 0 360.417 -0.173 20 0 FBADRM CS[C@H](CO)[C@H](C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000270345457 483504229 /nfs/dbraw/zinc/50/42/29/483504229.db2.gz AAEPAROABLWHAK-IMTBSYHQSA-N -1 0 360.417 -0.173 20 0 FBADRM CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000270345460 483505013 /nfs/dbraw/zinc/50/50/13/483505013.db2.gz AAEPAROABLWHAK-MUWHJKNJSA-N -1 0 360.417 -0.173 20 0 FBADRM CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000270345464 483504903 /nfs/dbraw/zinc/50/49/03/483504903.db2.gz AAEPAROABLWHAK-RCOVLWMOSA-N -1 0 360.417 -0.173 20 0 FBADRM CN(C1(C(N)=O)CCCC1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000270376741 483506063 /nfs/dbraw/zinc/50/60/63/483506063.db2.gz LTNHGFKDXPKEIE-UHFFFAOYSA-N -1 0 367.387 -0.145 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCCC4(C3)OCCO4)cc-2c(=O)[n-]1 ZINC000270380930 483505650 /nfs/dbraw/zinc/50/56/50/483505650.db2.gz NPZPIKOUXRHYJQ-UHFFFAOYSA-N -1 0 368.371 -0.036 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N(CCOC)CC(=O)[O-])cc1 ZINC000270416346 485259596 /nfs/dbraw/zinc/25/95/96/485259596.db2.gz DFHSODIJJFKCJN-UHFFFAOYSA-N -1 0 366.417 -0.684 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000270416515 483505769 /nfs/dbraw/zinc/50/57/69/483505769.db2.gz DKFIOBBMXAAULL-UHFFFAOYSA-N -1 0 357.388 -0.401 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000270427376 485259109 /nfs/dbraw/zinc/25/91/09/485259109.db2.gz HCEVQRZPWQTUCH-LLVKDONJSA-N -1 0 350.418 -0.018 20 0 FBADRM CN(CCCC(=O)[O-])S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000270430191 483507614 /nfs/dbraw/zinc/50/76/14/483507614.db2.gz HUQCLORSAQVIFR-UHFFFAOYSA-N -1 0 356.360 -0.481 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N(CCOC)CC(=O)[O-])c1 ZINC000270431761 483507897 /nfs/dbraw/zinc/50/78/97/483507897.db2.gz IFLRFVNHCZPQFV-UHFFFAOYSA-N -1 0 366.417 -0.684 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000270431847 483507483 /nfs/dbraw/zinc/50/74/83/483507483.db2.gz IHSFBHQSIXSGCQ-UHFFFAOYSA-N -1 0 356.356 -0.366 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000270433301 483507835 /nfs/dbraw/zinc/50/78/35/483507835.db2.gz IRHRYIZRDKAJKA-UHFFFAOYSA-N -1 0 369.392 -0.049 20 0 FBADRM CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N[C@H](C)C(N)=O ZINC000270478742 483507359 /nfs/dbraw/zinc/50/73/59/483507359.db2.gz HVJSSTFTMNWUKJ-MRVPVSSYSA-N -1 0 365.433 -0.391 20 0 FBADRM CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N[C@@H](C)C(N)=O ZINC000270478746 483507406 /nfs/dbraw/zinc/50/74/06/483507406.db2.gz HVJSSTFTMNWUKJ-QMMMGPOBSA-N -1 0 365.433 -0.391 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000270489128 483508460 /nfs/dbraw/zinc/50/84/60/483508460.db2.gz LTIWAMYSDRWFJE-UHFFFAOYSA-N -1 0 351.402 -0.188 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000270491542 483508671 /nfs/dbraw/zinc/50/86/71/483508671.db2.gz MGAJUCLVCUTYLL-UHFFFAOYSA-N -1 0 357.344 -0.237 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000270502498 483509461 /nfs/dbraw/zinc/50/94/61/483509461.db2.gz NWAVICNJNDJMRN-UHFFFAOYSA-N -1 0 359.404 -0.028 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC3(C(=O)[O-])CCCC3)cnc21 ZINC000270504838 483508806 /nfs/dbraw/zinc/50/88/06/483508806.db2.gz OHSQRDLKTDVAKQ-UHFFFAOYSA-N -1 0 368.371 -0.290 20 0 FBADRM CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N(C)CC(N)=O ZINC000270506610 483509162 /nfs/dbraw/zinc/50/91/62/483509162.db2.gz NPJGQZUXVRPPCM-UHFFFAOYSA-N -1 0 365.433 -0.437 20 0 FBADRM CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)NCC(=O)OC ZINC000270515730 483508765 /nfs/dbraw/zinc/50/87/65/483508765.db2.gz PYSDZPGAAFMIDB-UHFFFAOYSA-N -1 0 366.417 -0.092 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000270521942 483509104 /nfs/dbraw/zinc/50/91/04/483509104.db2.gz SBVFRQUAHODDBJ-LLVKDONJSA-N -1 0 350.418 -0.018 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000270521943 483508683 /nfs/dbraw/zinc/50/86/83/483508683.db2.gz SBVFRQUAHODDBJ-NSHDSACASA-N -1 0 350.418 -0.018 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@H](C)C(=O)[O-])cc1[C@@]1(C)NC(=O)NC1=O ZINC000270523557 483508819 /nfs/dbraw/zinc/50/88/19/483508819.db2.gz SIGCTOVQJRWKRQ-NXSYQRQQSA-N -1 0 371.371 -0.499 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@H](C)C(=O)[O-])cc1[C@]1(C)NC(=O)NC1=O ZINC000270523559 483509110 /nfs/dbraw/zinc/50/91/10/483509110.db2.gz SIGCTOVQJRWKRQ-UOWDBTKRSA-N -1 0 371.371 -0.499 20 0 FBADRM C[C@@H](CC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000270526846 483508974 /nfs/dbraw/zinc/50/89/74/483508974.db2.gz SZWPCROBJWPNES-JTQLQIEISA-N -1 0 350.418 -0.253 20 0 FBADRM C[C@H](CC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000270526847 483509344 /nfs/dbraw/zinc/50/93/44/483509344.db2.gz SZWPCROBJWPNES-SNVBAGLBSA-N -1 0 350.418 -0.253 20 0 FBADRM CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)NCCC(N)=O ZINC000270535067 483510570 /nfs/dbraw/zinc/51/05/70/483510570.db2.gz VZRFEKYGPBRVCO-UHFFFAOYSA-N -1 0 365.433 -0.390 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCCCCCC(=O)[O-])cnc21 ZINC000270545708 483510078 /nfs/dbraw/zinc/51/00/78/483510078.db2.gz YTXSLQPKWCVAON-UHFFFAOYSA-N -1 0 370.387 -0.043 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000270550941 483510525 /nfs/dbraw/zinc/51/05/25/483510525.db2.gz ZSRSRPHESFZRLW-UHFFFAOYSA-N -1 0 357.344 -0.237 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000270550968 536821238 /nfs/dbraw/zinc/82/12/38/536821238.db2.gz ZTCRDWYPJONFMN-UHFFFAOYSA-N -1 0 369.392 -0.049 20 0 FBADRM CC(C)c1nnc([C@@H](C)NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[nH]1 ZINC000270553315 483510789 /nfs/dbraw/zinc/51/07/89/483510789.db2.gz GWOQIMOUFOBNFG-MRVPVSSYSA-N -1 0 356.408 -0.635 20 0 FBADRM CC(C)c1nnc([C@H](C)NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[nH]1 ZINC000270553319 483510872 /nfs/dbraw/zinc/51/08/72/483510872.db2.gz GWOQIMOUFOBNFG-QMMMGPOBSA-N -1 0 356.408 -0.635 20 0 FBADRM C[NH+]1CCN(Cc2ccc(CNC(=O)C[C@@H]3NC(=O)NC3=O)cc2)CC1 ZINC000270735885 483517029 /nfs/dbraw/zinc/51/70/29/483517029.db2.gz QIDDHGOPLAZRCZ-HNNXBMFYSA-N -1 0 359.430 -0.352 20 0 FBADRM C[C@@H](O)C(=O)N1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CC1 ZINC000270790778 243783741 /nfs/dbraw/zinc/78/37/41/243783741.db2.gz CHZAPVYXYSDBDN-LLVKDONJSA-N -1 0 355.416 -0.277 20 0 FBADRM C[C@H](O)C(=O)N1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CC1 ZINC000270790780 483519052 /nfs/dbraw/zinc/51/90/52/483519052.db2.gz CHZAPVYXYSDBDN-NSHDSACASA-N -1 0 355.416 -0.277 20 0 FBADRM O=C(CN1CCN(C(=O)C(=O)NC2CC2)CC1)[N-]OCc1ccccc1 ZINC000270816615 483520523 /nfs/dbraw/zinc/52/05/23/483520523.db2.gz QJWYTWXVXUKNKU-UHFFFAOYSA-N -1 0 360.414 -0.343 20 0 FBADRM CCC[C@H]1C(=O)NCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000270864400 483523383 /nfs/dbraw/zinc/52/33/83/483523383.db2.gz RTHUWJOFEBWZSI-JTQLQIEISA-N -1 0 367.387 -0.275 20 0 FBADRM CCC[C@@H]1C(=O)NCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000270864402 483523312 /nfs/dbraw/zinc/52/33/12/483523312.db2.gz RTHUWJOFEBWZSI-SNVBAGLBSA-N -1 0 367.387 -0.275 20 0 FBADRM C[C@H](O)C(=O)N1CCN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)CC1 ZINC000270891415 243792013 /nfs/dbraw/zinc/79/20/13/243792013.db2.gz PSRVNNPDCWGVLB-JTQLQIEISA-N -1 0 373.406 -0.138 20 0 FBADRM C[C@@H](O)C(=O)N1CCN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)CC1 ZINC000270891417 483526577 /nfs/dbraw/zinc/52/65/77/483526577.db2.gz PSRVNNPDCWGVLB-SNVBAGLBSA-N -1 0 373.406 -0.138 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2n[nH]c(SCCO)n2)o1 ZINC000270922303 483527553 /nfs/dbraw/zinc/52/75/53/483527553.db2.gz WQCHDBZVASTBCT-UHFFFAOYSA-N -1 0 361.405 -0.015 20 0 FBADRM CCC[C@@H](NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1nnn[n-]1 ZINC000270947178 483527653 /nfs/dbraw/zinc/52/76/53/483527653.db2.gz KPEQMKAQJYFNRN-SECBINFHSA-N -1 0 355.399 -0.202 20 0 FBADRM CCC[C@H](NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1nnn[n-]1 ZINC000270947179 483527868 /nfs/dbraw/zinc/52/78/68/483527868.db2.gz KPEQMKAQJYFNRN-VIFPVBQESA-N -1 0 355.399 -0.202 20 0 FBADRM COC(=O)C1(NC(=O)c2ccc3c(c2)S(=O)(=O)[N-]c2ncnn2-3)CC1 ZINC000270953518 243796561 /nfs/dbraw/zinc/79/65/61/243796561.db2.gz ZMOYSEFTIQDGIX-UHFFFAOYSA-N -1 0 363.355 -0.183 20 0 FBADRM CC(C)C(=O)NCCN(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000271012253 483530966 /nfs/dbraw/zinc/53/09/66/483530966.db2.gz DLLWSHPHQXDWHE-UHFFFAOYSA-N -1 0 369.403 -0.171 20 0 FBADRM CC1(CNC(=O)c2ccc3c(c2)S(=O)(=O)[N-]c2ncnn2-3)OCCO1 ZINC000271042517 483532596 /nfs/dbraw/zinc/53/25/96/483532596.db2.gz OCFJWOZVOLTULT-UHFFFAOYSA-N -1 0 365.371 -0.126 20 0 FBADRM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000271102902 483534069 /nfs/dbraw/zinc/53/40/69/483534069.db2.gz YYHBZLRNZAFGGH-MRVPVSSYSA-N -1 0 370.387 -0.092 20 0 FBADRM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000271102903 483533856 /nfs/dbraw/zinc/53/38/56/483533856.db2.gz YYHBZLRNZAFGGH-QMMMGPOBSA-N -1 0 370.387 -0.092 20 0 FBADRM COCCN1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CC1=O ZINC000271129738 536871527 /nfs/dbraw/zinc/87/15/27/536871527.db2.gz NEVCHUXUXBEAEO-UHFFFAOYSA-N -1 0 355.416 -0.011 20 0 FBADRM CCN(CC)C(=O)CSc1nnc(SCc2nc(=O)[n-][nH]2)n1N ZINC000271150175 483536516 /nfs/dbraw/zinc/53/65/16/483536516.db2.gz KJQJSVNBMCLLQD-UHFFFAOYSA-N -1 0 358.453 -0.344 20 0 FBADRM C[C@@H](CO[N-]C(=O)Cn1ccc(=O)n(C)c1=O)NC(=O)OC(C)(C)C ZINC000271163526 483536250 /nfs/dbraw/zinc/53/62/50/483536250.db2.gz WNARHHWLWKTJOX-JTQLQIEISA-N -1 0 356.379 -0.492 20 0 FBADRM C[C@H](CO[N-]C(=O)Cn1ccc(=O)n(C)c1=O)NC(=O)OC(C)(C)C ZINC000271163551 483536190 /nfs/dbraw/zinc/53/61/90/483536190.db2.gz WNARHHWLWKTJOX-SNVBAGLBSA-N -1 0 356.379 -0.492 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCN(Cc3nc(=O)[n-][nH]3)CC2)cc1 ZINC000271177234 243811132 /nfs/dbraw/zinc/81/11/32/243811132.db2.gz FZQKIECDISQEBK-UHFFFAOYSA-N -1 0 353.404 -0.387 20 0 FBADRM COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000271185897 483538738 /nfs/dbraw/zinc/53/87/38/483538738.db2.gz VDNKEWCDAJKIFL-ZDUSSCGKSA-N -1 0 372.385 -0.194 20 0 FBADRM COCCN1CCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)CC1=O ZINC000271195444 483538820 /nfs/dbraw/zinc/53/88/20/483538820.db2.gz OGIPFJIIZNTCKD-UHFFFAOYSA-N -1 0 361.358 -0.325 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3nc(=O)[n-][nH]3)CC2)cc1 ZINC000271206252 483537755 /nfs/dbraw/zinc/53/77/55/483537755.db2.gz SEJQRPDXDVFYPF-UHFFFAOYSA-N -1 0 365.415 -0.193 20 0 FBADRM CC(C)Sc1n[nH]c([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1 ZINC000271245525 483539400 /nfs/dbraw/zinc/53/94/00/483539400.db2.gz CJLJRGPVFIUZGP-UHFFFAOYSA-N -1 0 360.421 -0.497 20 0 FBADRM CCNS(=O)(=O)c1ccc(F)c(C(=O)[N-]N2CC(=O)N(C)C2=O)c1 ZINC000271249134 483539706 /nfs/dbraw/zinc/53/97/06/483539706.db2.gz DGSVKZYBGWRJBW-UHFFFAOYSA-N -1 0 358.351 -0.337 20 0 FBADRM CC(C)Cc1nnc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)s1 ZINC000271255513 483539486 /nfs/dbraw/zinc/53/94/86/483539486.db2.gz GTPXXZNVUVEMBD-UHFFFAOYSA-N -1 0 359.433 -0.065 20 0 FBADRM Cc1oc(C(=O)[N-]N2CC(=O)N(C)C2=O)cc1S(=O)(=O)N1CCCC1 ZINC000271273477 243813062 /nfs/dbraw/zinc/81/30/62/243813062.db2.gz JGYZJTXAZCFGFH-UHFFFAOYSA-N -1 0 370.387 -0.089 20 0 FBADRM CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[N-]OCC(N)=O ZINC000271360879 243818088 /nfs/dbraw/zinc/81/80/88/243818088.db2.gz GFMKXMBKPNXUOB-LLVKDONJSA-N -1 0 368.415 -0.183 20 0 FBADRM CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[N-]OCC(N)=O ZINC000271360882 483545107 /nfs/dbraw/zinc/54/51/07/483545107.db2.gz GFMKXMBKPNXUOB-NSHDSACASA-N -1 0 368.415 -0.183 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[N-]OCC(N)=O ZINC000271365073 483545159 /nfs/dbraw/zinc/54/51/59/483545159.db2.gz GVOVLDQZDTUHIW-ZETCQYMHSA-N -1 0 369.321 -0.095 20 0 FBADRM NC(=O)CO[N-]C(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000271379542 483546164 /nfs/dbraw/zinc/54/61/64/483546164.db2.gz JJKPXHPTHJBFJF-UHFFFAOYSA-N -1 0 365.205 -0.103 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@H](C(=O)[N-]OCC(N)=O)C(C)C)cc1 ZINC000271381602 483546426 /nfs/dbraw/zinc/54/64/26/483546426.db2.gz JRODVGSCQWICLP-ZDUSSCGKSA-N -1 0 359.404 -0.469 20 0 FBADRM CN(CC(=O)[N-]OCc1ccccc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000271400006 483545737 /nfs/dbraw/zinc/54/57/37/483545737.db2.gz TUKJESZNQKHYLG-AWEZNQCLSA-N -1 0 369.443 -0.531 20 0 FBADRM CN(CC(=O)[N-]OCc1ccccc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000271400007 483545617 /nfs/dbraw/zinc/54/56/17/483545617.db2.gz TUKJESZNQKHYLG-CQSZACIVSA-N -1 0 369.443 -0.531 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)[N-]OCC(N)=O ZINC000271407544 483547751 /nfs/dbraw/zinc/54/77/51/483547751.db2.gz NUAQQIBFEIZRFJ-SSDOTTSWSA-N -1 0 369.321 -0.095 20 0 FBADRM C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)[N-]OCC(N)=O ZINC000271407546 483547260 /nfs/dbraw/zinc/54/72/60/483547260.db2.gz NUAQQIBFEIZRFJ-ZETCQYMHSA-N -1 0 369.321 -0.095 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)[N-]OCC(N)=O ZINC000271423730 483547466 /nfs/dbraw/zinc/54/74/66/483547466.db2.gz QJCGJJUUXINDCW-VIFPVBQESA-N -1 0 373.387 -0.952 20 0 FBADRM COCCCn1c(=O)c2ccc(C(=O)NOCC(N)=O)cc2[n-]c1=S ZINC000271423802 483547387 /nfs/dbraw/zinc/54/73/87/483547387.db2.gz QKDWTATUZHBYOX-UHFFFAOYSA-N -1 0 366.399 -0.132 20 0 FBADRM CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)[N-]OCC(N)=O ZINC000271456076 483548616 /nfs/dbraw/zinc/54/86/16/483548616.db2.gz WNPFKWMYRIURPP-LLVKDONJSA-N -1 0 361.445 -0.380 20 0 FBADRM CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)[N-]OCC(N)=O ZINC000271456078 243824636 /nfs/dbraw/zinc/82/46/36/243824636.db2.gz WNPFKWMYRIURPP-NSHDSACASA-N -1 0 361.445 -0.380 20 0 FBADRM COC(=O)c1sc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)nc1C ZINC000271456401 536873122 /nfs/dbraw/zinc/87/31/22/536873122.db2.gz VYVWJZYAPFRDSX-UHFFFAOYSA-N -1 0 374.400 -0.564 20 0 FBADRM COC(=O)C1CCC(NC(=O)c2cnc([O-])n(C)c2=O)(C(=O)OC)CC1 ZINC000271470006 483550553 /nfs/dbraw/zinc/55/05/53/483550553.db2.gz UQZOWCNKMBYSMQ-UHFFFAOYSA-N -1 0 367.358 -0.509 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000271560731 483552578 /nfs/dbraw/zinc/55/25/78/483552578.db2.gz SFICYVDLYACVPC-UHFFFAOYSA-N -1 0 362.430 -0.097 20 0 FBADRM O=c1nc(CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)[nH][n-]1 ZINC000271624352 483555241 /nfs/dbraw/zinc/55/52/41/483555241.db2.gz NOBGWURLCSJGDR-UHFFFAOYSA-N -1 0 357.417 -0.194 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)C(=O)[N-]OC3CCCC3)cnc2n(C)c1=O ZINC000271641142 243830069 /nfs/dbraw/zinc/83/00/69/243830069.db2.gz FZIXRFNPWIEIQX-UHFFFAOYSA-N -1 0 361.358 -0.439 20 0 FBADRM COc1nc(N2CCN(Cc3nc(=O)[n-][nH]3)CC2)ncc1Br ZINC000271667518 483556682 /nfs/dbraw/zinc/55/66/82/483556682.db2.gz ZTIICLZCAYLNHG-UHFFFAOYSA-N -1 0 370.211 -0.019 20 0 FBADRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CN2C(=O)C(=O)N(C)C2=O)c1 ZINC000271700044 483559296 /nfs/dbraw/zinc/55/92/96/483559296.db2.gz ULOHYGPVDDOUGI-UHFFFAOYSA-N -1 0 369.355 -0.455 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]CCOCC(N)=O)sc1Br ZINC000271749348 243836877 /nfs/dbraw/zinc/83/68/77/243836877.db2.gz YVWOCYCJIJQWRZ-UHFFFAOYSA-N -1 0 358.239 -0.006 20 0 FBADRM COC(=O)C1(c2ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc2)CC1 ZINC000271810769 483562136 /nfs/dbraw/zinc/56/21/36/483562136.db2.gz BIQWHQMRZLZYDL-UHFFFAOYSA-N -1 0 370.383 -0.630 20 0 FBADRM CON(C)S(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000271892978 483565862 /nfs/dbraw/zinc/56/58/62/483565862.db2.gz OHTMSBYUWQNXCE-AWEZNQCLSA-N -1 0 358.372 -0.158 20 0 FBADRM CON(C)S(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000271892981 483566440 /nfs/dbraw/zinc/56/64/40/483566440.db2.gz OHTMSBYUWQNXCE-CQSZACIVSA-N -1 0 358.372 -0.158 20 0 FBADRM CON(C)S(=O)(=O)c1cccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000271894963 483566261 /nfs/dbraw/zinc/56/62/61/483566261.db2.gz QINFTJLRJVPPMM-AWEZNQCLSA-N -1 0 358.372 -0.158 20 0 FBADRM CON(C)S(=O)(=O)c1cccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000271894965 243844616 /nfs/dbraw/zinc/84/46/16/243844616.db2.gz QINFTJLRJVPPMM-CQSZACIVSA-N -1 0 358.372 -0.158 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cc(C3CCOCC3)[nH]n2)c(=O)n(C)c1=O ZINC000271910654 483565908 /nfs/dbraw/zinc/56/59/08/483565908.db2.gz ANFWGIXMXSZWSM-UHFFFAOYSA-N -1 0 369.403 -0.498 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCC(=O)N1CCOCC1 ZINC000271920338 483566642 /nfs/dbraw/zinc/56/66/42/483566642.db2.gz HSLDEHPBWGYLAA-UHFFFAOYSA-N -1 0 359.379 -0.214 20 0 FBADRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCC(=O)N2CCOCC2)c1 ZINC000271921531 483566467 /nfs/dbraw/zinc/56/64/67/483566467.db2.gz IBYGJJFMRREIQY-UHFFFAOYSA-N -1 0 355.416 -0.045 20 0 FBADRM COC(=O)c1ccsc1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000271933500 243845827 /nfs/dbraw/zinc/84/58/27/243845827.db2.gz JEFQREWITDPOAD-UHFFFAOYSA-N -1 0 359.385 -0.267 20 0 FBADRM CCOC(=O)c1ncc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)s1 ZINC000271933575 483566232 /nfs/dbraw/zinc/56/62/32/483566232.db2.gz JFYCZRIQSJWLRC-UHFFFAOYSA-N -1 0 374.400 -0.482 20 0 FBADRM O=C([O-])c1cccc(CC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 ZINC000271938183 243845669 /nfs/dbraw/zinc/84/56/69/243845669.db2.gz QFXKPGMENIUKCQ-UHFFFAOYSA-N -1 0 359.382 -0.123 20 0 FBADRM COC(=O)c1nscc1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000271961648 483567528 /nfs/dbraw/zinc/56/75/28/483567528.db2.gz RIHPDRCLXKBDKD-UHFFFAOYSA-N -1 0 360.373 -0.872 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2ncccc2OC(F)F)c(=O)n(C)c1=O ZINC000271967908 483567291 /nfs/dbraw/zinc/56/72/91/483567291.db2.gz TVADXJQKTXCPFF-UHFFFAOYSA-N -1 0 362.314 -0.119 20 0 FBADRM CC(C)CS(=O)(=O)N1CCC(NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000271982991 483567378 /nfs/dbraw/zinc/56/73/78/483567378.db2.gz NPYGVSRTCWZFBE-UHFFFAOYSA-N -1 0 372.447 -0.334 20 0 FBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NCC(=O)N1CCOCC1 ZINC000271985366 483568062 /nfs/dbraw/zinc/56/80/62/483568062.db2.gz KGACTKNJMQIACU-UHFFFAOYSA-N -1 0 362.411 -0.340 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2nnc(C(F)(F)F)s2)c(=O)n(C)c1=O ZINC000271989280 243846853 /nfs/dbraw/zinc/84/68/53/243846853.db2.gz YTTNKTDOKBHRRQ-UHFFFAOYSA-N -1 0 371.322 -0.245 20 0 FBADRM CCOCCOC1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000272031326 483569970 /nfs/dbraw/zinc/56/99/70/483569970.db2.gz JOKVDRPSBYNQFG-UHFFFAOYSA-N -1 0 370.387 -0.138 20 0 FBADRM C[C@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCN1S(C)(=O)=O ZINC000272034204 483570210 /nfs/dbraw/zinc/57/02/10/483570210.db2.gz PTHFGVSEFOLISX-QMMMGPOBSA-N -1 0 367.387 -0.458 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NCC(=O)N3CCOCC3)cc2[n-]c1=S ZINC000272059532 483570117 /nfs/dbraw/zinc/57/01/17/483570117.db2.gz NDIHDBBZFQBIOH-UHFFFAOYSA-N -1 0 362.411 -0.189 20 0 FBADRM CCOC(=O)c1oc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)nc1C ZINC000272101575 243850037 /nfs/dbraw/zinc/85/00/37/243850037.db2.gz GYIGVBAHFXVGLT-UHFFFAOYSA-N -1 0 372.359 -0.642 20 0 FBADRM CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)n1 ZINC000272147748 243852273 /nfs/dbraw/zinc/85/22/73/243852273.db2.gz LPCBMJFHYTTWFO-UHFFFAOYSA-N -1 0 353.360 -0.104 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)[N-]n2cn[nH]c2=O)c1 ZINC000272160035 483572237 /nfs/dbraw/zinc/57/22/37/483572237.db2.gz XELBDGLGKFBVBM-UHFFFAOYSA-N -1 0 369.403 -0.006 20 0 FBADRM NC(=O)CO[N-]C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000272289233 483576846 /nfs/dbraw/zinc/57/68/46/483576846.db2.gz VAHACYSTVJVUMR-UHFFFAOYSA-N -1 0 370.431 -0.048 20 0 FBADRM COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000272296779 483576542 /nfs/dbraw/zinc/57/65/42/483576542.db2.gz WQHFZXPJSZRXMU-SKDRFNHKSA-N -1 0 363.395 -0.029 20 0 FBADRM CCc1nc([N-]S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)no1 ZINC000272329661 483578125 /nfs/dbraw/zinc/57/81/25/483578125.db2.gz RLLZYHYFRLLTIO-UHFFFAOYSA-N -1 0 352.332 -0.220 20 0 FBADRM O=C([N-]N1CCCNC1=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000272387140 483579236 /nfs/dbraw/zinc/57/92/36/483579236.db2.gz GHYXZAVCBHUVHU-UHFFFAOYSA-N -1 0 374.444 -0.171 20 0 FBADRM CC(C)N1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1=O ZINC000272399048 483580255 /nfs/dbraw/zinc/58/02/55/483580255.db2.gz JRGQHGSGQAPXKD-UHFFFAOYSA-N -1 0 367.387 -0.323 20 0 FBADRM COc1ccc(-n2cc([O-])c(C(=O)NCCN3C(=O)CNC3=O)n2)cc1 ZINC000272473011 483583105 /nfs/dbraw/zinc/58/31/05/483583105.db2.gz PWYWFQLFIWCZBJ-UHFFFAOYSA-N -1 0 359.342 -0.132 20 0 FBADRM COc1ccc(-n2cc([O-])c(C(=O)N3CCN(CC(N)=O)CC3)n2)cc1 ZINC000272526619 483586091 /nfs/dbraw/zinc/58/60/91/483586091.db2.gz WINLGXLNOQKIFY-UHFFFAOYSA-N -1 0 359.386 -0.170 20 0 FBADRM COc1ccc(-n2cc([O-])c(C(=O)NCCNS(C)(=O)=O)n2)cc1 ZINC000272560011 483586123 /nfs/dbraw/zinc/58/61/23/483586123.db2.gz ZXAVBTKSSBKCAF-UHFFFAOYSA-N -1 0 354.388 -0.135 20 0 FBADRM CC(=O)NCCN(C(=O)c1cn(CC(=O)C(C)(C)C)nn1)[C@@H](C)C(=O)[O-] ZINC000272578761 483588061 /nfs/dbraw/zinc/58/80/61/483588061.db2.gz ANPMLLZZALBVBG-JTQLQIEISA-N -1 0 367.406 -0.055 20 0 FBADRM CC(=O)NCCN(C(=O)c1cn(CC(=O)C(C)(C)C)nn1)[C@H](C)C(=O)[O-] ZINC000272578762 483587407 /nfs/dbraw/zinc/58/74/07/483587407.db2.gz ANPMLLZZALBVBG-SNVBAGLBSA-N -1 0 367.406 -0.055 20 0 FBADRM CC(=O)NCCN(C(=O)C(=O)NCc1ccc(F)cc1)[C@@H](C)C(=O)[O-] ZINC000272585066 483587516 /nfs/dbraw/zinc/58/75/16/483587516.db2.gz BMFLFCHLJUWGQI-JTQLQIEISA-N -1 0 353.350 -0.120 20 0 FBADRM CC(=O)NCCN(C(=O)C(=O)NCc1ccc(F)cc1)[C@H](C)C(=O)[O-] ZINC000272585068 483587591 /nfs/dbraw/zinc/58/75/91/483587591.db2.gz BMFLFCHLJUWGQI-SNVBAGLBSA-N -1 0 353.350 -0.120 20 0 FBADRM CC(=O)NCCN(C(=O)CNC(=O)OCC(F)(F)F)[C@H](C)C(=O)[O-] ZINC000272623268 483589477 /nfs/dbraw/zinc/58/94/77/483589477.db2.gz KCNDRCJZVYFSCN-SSDOTTSWSA-N -1 0 357.285 -0.287 20 0 FBADRM CC(=O)NCCN(C(=O)CNC(=O)OCC(F)(F)F)[C@@H](C)C(=O)[O-] ZINC000272623270 483589099 /nfs/dbraw/zinc/58/90/99/483589099.db2.gz KCNDRCJZVYFSCN-ZETCQYMHSA-N -1 0 357.285 -0.287 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCCN1CCNC(=O)C1 ZINC000272629752 483588835 /nfs/dbraw/zinc/58/88/35/483588835.db2.gz AMLUIDNEAJMSER-UHFFFAOYSA-N -1 0 358.395 -0.641 20 0 FBADRM CC(=O)NCCN(C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[C@@H](C)C(=O)[O-] ZINC000272641981 483590681 /nfs/dbraw/zinc/59/06/81/483590681.db2.gz NYIMHVZALKKIQI-CYZMBNFOSA-N -1 0 367.402 -0.401 20 0 FBADRM CC(=O)NCCN(C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[C@H](C)C(=O)[O-] ZINC000272641984 483590637 /nfs/dbraw/zinc/59/06/37/483590637.db2.gz NYIMHVZALKKIQI-RAIGVLPGSA-N -1 0 367.402 -0.401 20 0 FBADRM CC(=O)NCCN(C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[C@H](C)C(=O)[O-] ZINC000272641987 483590347 /nfs/dbraw/zinc/59/03/47/483590347.db2.gz NYIMHVZALKKIQI-RTXFEEFZSA-N -1 0 367.402 -0.401 20 0 FBADRM CC(=O)NCCN(C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[C@@H](C)C(=O)[O-] ZINC000272641990 483590504 /nfs/dbraw/zinc/59/05/04/483590504.db2.gz NYIMHVZALKKIQI-WCFLWFBJSA-N -1 0 367.402 -0.401 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NCCN1CCNC(=O)C1 ZINC000272656990 483590499 /nfs/dbraw/zinc/59/04/99/483590499.db2.gz GWWFBXOUMYHXGH-UHFFFAOYSA-N -1 0 354.432 -0.390 20 0 FBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NCCN1CCNC(=O)C1 ZINC000272660125 483590584 /nfs/dbraw/zinc/59/05/84/483590584.db2.gz HQRZLFLDFXZJBP-UHFFFAOYSA-N -1 0 361.427 -0.767 20 0 FBADRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCCN2CCNC(=O)C2)c1 ZINC000272672469 660526559 /nfs/dbraw/zinc/52/65/59/660526559.db2.gz KYJIBCWCIGITPT-UHFFFAOYSA-N -1 0 354.432 -0.472 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NCCN3CCNC(=O)C3)cc2[n-]c1=S ZINC000272700340 483592659 /nfs/dbraw/zinc/59/26/59/483592659.db2.gz RTZPGSVYXMVNKX-UHFFFAOYSA-N -1 0 361.427 -0.616 20 0 FBADRM COc1ccc(-n2cc([O-])c(C(=O)NCCN3CCNC(=O)C3)n2)cc1 ZINC000272718955 483593751 /nfs/dbraw/zinc/59/37/51/483593751.db2.gz WYEWTTJVSSVKIN-UHFFFAOYSA-N -1 0 359.386 -0.252 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(F)c(C(=O)[N-]N2CC(=O)N(C)C2=O)c1 ZINC000272718956 483593798 /nfs/dbraw/zinc/59/37/98/483593798.db2.gz YZTVHMZKYPAUOE-UHFFFAOYSA-N -1 0 358.351 -0.385 20 0 FBADRM COc1n[nH]c([N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 ZINC000272775133 483596779 /nfs/dbraw/zinc/59/67/79/483596779.db2.gz ABDLHUWZUSUUFA-UHFFFAOYSA-N -1 0 361.405 -0.136 20 0 FBADRM COc1n[nH]c([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 ZINC000272813958 483599246 /nfs/dbraw/zinc/59/92/46/483599246.db2.gz IODXXZLIOFIKHK-UHFFFAOYSA-N -1 0 361.405 -0.136 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CCO1 ZINC000272867255 483601220 /nfs/dbraw/zinc/60/12/20/483601220.db2.gz NESOLHSQYYWLLC-GFCCVEGCSA-N -1 0 362.411 -0.341 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CCO1 ZINC000272867256 483601900 /nfs/dbraw/zinc/60/19/00/483601900.db2.gz NESOLHSQYYWLLC-LBPRGKRZSA-N -1 0 362.411 -0.341 20 0 FBADRM CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000272872573 483602232 /nfs/dbraw/zinc/60/22/32/483602232.db2.gz OWDBEQOVBBBLPG-UHFFFAOYSA-N -1 0 371.462 -0.463 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)NC)c2)CCO1 ZINC000272890960 483603629 /nfs/dbraw/zinc/60/36/29/483603629.db2.gz WUGKOJZVOROXLC-LLVKDONJSA-N -1 0 359.379 -0.679 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)NC)c2)CCO1 ZINC000272890963 483603398 /nfs/dbraw/zinc/60/33/98/483603398.db2.gz WUGKOJZVOROXLC-NSHDSACASA-N -1 0 359.379 -0.679 20 0 FBADRM COc1ccc(C(=O)Nn2cn[nH]c2=O)cc1S(=O)(=O)NC(C)C ZINC000272893160 483603443 /nfs/dbraw/zinc/60/34/43/483603443.db2.gz OAMNRCMYEPXSPE-UHFFFAOYSA-N -1 0 355.376 -0.349 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2ncn(C3CCCCC3)n2)c(=O)n(C)c1=O ZINC000272915781 243883945 /nfs/dbraw/zinc/88/39/45/243883945.db2.gz DTUMLWSGJMRTDB-UHFFFAOYSA-N -1 0 368.419 -0.019 20 0 FBADRM CC(C)(C)OC(=O)CNC(=O)CN1[N-]S(=O)(=O)c2ccccc2C1=O ZINC000272918424 483604503 /nfs/dbraw/zinc/60/45/03/483604503.db2.gz IBZWEWGOHODFPT-UHFFFAOYSA-N -1 0 369.399 -0.206 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)cc(F)c1F ZINC000272924426 483604410 /nfs/dbraw/zinc/60/44/10/483604410.db2.gz UKDHSGOBVFUXCL-UHFFFAOYSA-N -1 0 363.298 -0.161 20 0 FBADRM CN1C(=O)CN([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1=O ZINC000272926083 536313714 /nfs/dbraw/zinc/31/37/14/536313714.db2.gz UOBWHGCBZRBJLG-UHFFFAOYSA-N -1 0 352.372 -0.099 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)CCO1 ZINC000273082456 483611944 /nfs/dbraw/zinc/61/19/44/483611944.db2.gz HWGXDYSHDDMRJW-GFCCVEGCSA-N -1 0 362.411 -0.191 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)CCO1 ZINC000273083505 483612420 /nfs/dbraw/zinc/61/24/20/483612420.db2.gz HWGXDYSHDDMRJW-LBPRGKRZSA-N -1 0 362.411 -0.191 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000273133238 243895043 /nfs/dbraw/zinc/89/50/43/243895043.db2.gz AZPOACRVFXZDRO-UHFFFAOYSA-N -1 0 352.315 -0.190 20 0 FBADRM CCN1CCN(CC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)C(=O)C1=O ZINC000273146194 483613621 /nfs/dbraw/zinc/61/36/21/483613621.db2.gz YBFJKMOXSXYHFP-LLVKDONJSA-N -1 0 372.422 -0.362 20 0 FBADRM CCN1CCN(CC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)C(=O)C1=O ZINC000273146195 483612714 /nfs/dbraw/zinc/61/27/14/483612714.db2.gz YBFJKMOXSXYHFP-NSHDSACASA-N -1 0 372.422 -0.362 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)CCO1 ZINC000273160212 660526593 /nfs/dbraw/zinc/52/65/93/660526593.db2.gz ZEFSBIDXDGIBBV-CYBMUJFWSA-N -1 0 355.416 -0.046 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)CCO1 ZINC000273160213 660526523 /nfs/dbraw/zinc/52/65/23/660526523.db2.gz ZEFSBIDXDGIBBV-ZDUSSCGKSA-N -1 0 355.416 -0.046 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)cn1 ZINC000273172522 483613298 /nfs/dbraw/zinc/61/32/98/483613298.db2.gz KUOOFZVJFGKENH-UHFFFAOYSA-N -1 0 354.392 -0.039 20 0 FBADRM CCCC[C@@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)C(=O)[O-] ZINC000273174357 483613521 /nfs/dbraw/zinc/61/35/21/483613521.db2.gz GEUFBZUQALOTHR-SECBINFHSA-N -1 0 360.392 -0.849 20 0 FBADRM CCCC[C@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)C(=O)[O-] ZINC000273174360 243893477 /nfs/dbraw/zinc/89/34/77/243893477.db2.gz GEUFBZUQALOTHR-VIFPVBQESA-N -1 0 360.392 -0.849 20 0 FBADRM O=C(Cn1cnnn1)N1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)CC1 ZINC000273292436 483616497 /nfs/dbraw/zinc/61/64/97/483616497.db2.gz IUTOGHISDRHWRC-UHFFFAOYSA-N -1 0 370.291 -0.219 20 0 FBADRM COc1cc(C(=O)N[C@]2(CO)CCOC2)cc([N-]S(C)(=O)=O)c1OC ZINC000273410235 483620506 /nfs/dbraw/zinc/62/05/06/483620506.db2.gz OFZIIJWLZHOJNI-HNNXBMFYSA-N -1 0 374.415 -0.044 20 0 FBADRM COc1cc(C(=O)N[C@@]2(CO)CCOC2)cc([N-]S(C)(=O)=O)c1OC ZINC000273410237 483620573 /nfs/dbraw/zinc/62/05/73/483620573.db2.gz OFZIIJWLZHOJNI-OAHLLOKOSA-N -1 0 374.415 -0.044 20 0 FBADRM C[C@@H](CN(C)C(=O)Cn1cc(Br)c(=O)[nH]c1=O)c1nnn[n-]1 ZINC000273419482 483622213 /nfs/dbraw/zinc/62/22/13/483622213.db2.gz GOMYYPBSCNENNT-LURJTMIESA-N -1 0 372.183 -0.513 20 0 FBADRM C[C@H](CN(C)C(=O)Cn1cc(Br)c(=O)[nH]c1=O)c1nnn[n-]1 ZINC000273419486 483622248 /nfs/dbraw/zinc/62/22/48/483622248.db2.gz GOMYYPBSCNENNT-ZCFIWIBFSA-N -1 0 372.183 -0.513 20 0 FBADRM C[C@H](CN(C)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1nnn[n-]1 ZINC000273444108 483622333 /nfs/dbraw/zinc/62/23/33/483622333.db2.gz BNYIQSFPMYWIRE-SECBINFHSA-N -1 0 351.392 -0.741 20 0 FBADRM C[C@@H](CN(C)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1nnn[n-]1 ZINC000273445114 483622616 /nfs/dbraw/zinc/62/26/16/483622616.db2.gz BNYIQSFPMYWIRE-VIFPVBQESA-N -1 0 351.392 -0.741 20 0 FBADRM COC(=O)[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000273460796 483622464 /nfs/dbraw/zinc/62/24/64/483622464.db2.gz FVFWHBXYJFTIPS-LBPRGKRZSA-N -1 0 372.399 -0.560 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2nc(OC)cc(OC)n2)cn1C ZINC000273463218 483621575 /nfs/dbraw/zinc/62/15/75/483621575.db2.gz NFNAFCPUZRIIAJ-UHFFFAOYSA-N -1 0 355.376 -0.007 20 0 FBADRM C[C@@H](CN(C)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)c1nnn[n-]1 ZINC000273489036 483623964 /nfs/dbraw/zinc/62/39/64/483623964.db2.gz KGOTXQGPUNQCCD-GWCFXTLKSA-N -1 0 356.390 -0.118 20 0 FBADRM C[C@@H](CN(C)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1nnn[n-]1 ZINC000273489040 483623816 /nfs/dbraw/zinc/62/38/16/483623816.db2.gz KGOTXQGPUNQCCD-GXFFZTMASA-N -1 0 356.390 -0.118 20 0 FBADRM C[C@H](CN(C)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)c1nnn[n-]1 ZINC000273489044 483623068 /nfs/dbraw/zinc/62/30/68/483623068.db2.gz KGOTXQGPUNQCCD-MFKMUULPSA-N -1 0 356.390 -0.118 20 0 FBADRM C[C@H](CN(C)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1nnn[n-]1 ZINC000273489048 483623869 /nfs/dbraw/zinc/62/38/69/483623869.db2.gz KGOTXQGPUNQCCD-ZWNOBZJWSA-N -1 0 356.390 -0.118 20 0 FBADRM COC(=O)[C@H](CO)NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000273523287 483623427 /nfs/dbraw/zinc/62/34/27/483623427.db2.gz XAYKGOQNGJXGCJ-NSHDSACASA-N -1 0 351.384 -0.275 20 0 FBADRM Cc1nc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)nc2c1CCCC2 ZINC000273525123 484879852 /nfs/dbraw/zinc/87/98/52/484879852.db2.gz ZKSDFOGWCCIZPQ-UHFFFAOYSA-N -1 0 365.415 -0.138 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(=O)NC)c2)cn1C ZINC000273561529 483624380 /nfs/dbraw/zinc/62/43/80/483624380.db2.gz BPSIEBBSKNSURF-UHFFFAOYSA-N -1 0 369.403 -0.055 20 0 FBADRM CCN1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1=O ZINC000273565669 483625006 /nfs/dbraw/zinc/62/50/06/483625006.db2.gz ZKTFIFCVUKNSII-UHFFFAOYSA-N -1 0 353.360 -0.711 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)[N-]c2n[nH]c(C)c2C(N)=O)CC1 ZINC000273577353 483624991 /nfs/dbraw/zinc/62/49/91/483624991.db2.gz FGDQMUBOJPJFPW-UHFFFAOYSA-N -1 0 360.396 -0.752 20 0 FBADRM C[C@H](CN(C)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1nnn[n-]1 ZINC000273587760 483626791 /nfs/dbraw/zinc/62/67/91/483626791.db2.gz RMORHTIJEIETFR-SECBINFHSA-N -1 0 351.392 -0.741 20 0 FBADRM C[C@@H](CN(C)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1nnn[n-]1 ZINC000273587761 483626513 /nfs/dbraw/zinc/62/65/13/483626513.db2.gz RMORHTIJEIETFR-VIFPVBQESA-N -1 0 351.392 -0.741 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cn1C ZINC000273609831 483626405 /nfs/dbraw/zinc/62/64/05/483626405.db2.gz LQHYFUUAHIQVJV-UHFFFAOYSA-N -1 0 355.376 -0.316 20 0 FBADRM C[C@@H](Cn1cncn1)NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000273620877 483626211 /nfs/dbraw/zinc/62/62/11/483626211.db2.gz APOBJACJYHMDBO-JTQLQIEISA-N -1 0 367.387 -0.541 20 0 FBADRM C[C@H](Cn1cncn1)NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000273620880 243910893 /nfs/dbraw/zinc/91/08/93/243910893.db2.gz APOBJACJYHMDBO-SNVBAGLBSA-N -1 0 367.387 -0.541 20 0 FBADRM COc1ccc(S(=O)(=O)NCC2(C(N)=O)CCOCC2)cc1C(=O)[O-] ZINC000273622000 243910807 /nfs/dbraw/zinc/91/08/07/243910807.db2.gz AWFIOGQLWYEIQZ-UHFFFAOYSA-N -1 0 372.399 -0.046 20 0 FBADRM Cc1noc(CCNS(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)n1 ZINC000273622002 483626040 /nfs/dbraw/zinc/62/60/40/483626040.db2.gz AWGVUZGVNOLJDY-UHFFFAOYSA-N -1 0 368.371 -0.287 20 0 FBADRM CCOc1ccc(S(=O)(=O)N2CCO[C@@H](C(N)=O)C2)cc1C(=O)[O-] ZINC000273625496 483626709 /nfs/dbraw/zinc/62/67/09/483626709.db2.gz BLJHFJDWHGSIBI-GFCCVEGCSA-N -1 0 358.372 -0.342 20 0 FBADRM CCOc1ccc(S(=O)(=O)N2CCO[C@H](C(N)=O)C2)cc1C(=O)[O-] ZINC000273625497 483626424 /nfs/dbraw/zinc/62/64/24/483626424.db2.gz BLJHFJDWHGSIBI-LBPRGKRZSA-N -1 0 358.372 -0.342 20 0 FBADRM CCn1cc(S(=O)(=O)NCCCNS(=O)(=O)CC)cc1C(=O)[O-] ZINC000273634047 660526644 /nfs/dbraw/zinc/52/66/44/660526644.db2.gz CYUSCKAGXQMFGI-UHFFFAOYSA-N -1 0 367.449 -0.186 20 0 FBADRM CCn1cc(S(=O)(=O)N(CCOC)CC(=O)N(C)C)cc1C(=O)[O-] ZINC000273638709 660526531 /nfs/dbraw/zinc/52/65/31/660526531.db2.gz DRWSBVAGWYHZSY-UHFFFAOYSA-N -1 0 361.420 -0.069 20 0 FBADRM CCn1cc(S(=O)(=O)NCC2(C(N)=O)CCOCC2)cc1C(=O)[O-] ZINC000273646114 660526472 /nfs/dbraw/zinc/52/64/72/660526472.db2.gz FWOXANJXWKZLGC-UHFFFAOYSA-N -1 0 359.404 -0.233 20 0 FBADRM CNC(=O)CCN(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000273647714 483628008 /nfs/dbraw/zinc/62/80/08/483628008.db2.gz GEQCETREPZNQRG-UHFFFAOYSA-N -1 0 357.388 -0.742 20 0 FBADRM CCOc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)cc1C(=O)[O-] ZINC000273648080 535391639 /nfs/dbraw/zinc/39/16/39/535391639.db2.gz CNQGQHQHQKWSRG-LLVKDONJSA-N -1 0 358.372 -0.342 20 0 FBADRM CCOc1ccc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)cc1C(=O)[O-] ZINC000273648082 485268881 /nfs/dbraw/zinc/26/88/81/485268881.db2.gz CNQGQHQHQKWSRG-NSHDSACASA-N -1 0 358.372 -0.342 20 0 FBADRM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC(N)=O)CC(N)=O ZINC000273653773 483627472 /nfs/dbraw/zinc/62/74/72/483627472.db2.gz GZAHKVPOJCMRIF-UHFFFAOYSA-N -1 0 357.388 -0.531 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)C(=O)OC ZINC000273656859 483627248 /nfs/dbraw/zinc/62/72/48/483627248.db2.gz HLJSIVBIBYSIAH-JTQLQIEISA-N -1 0 363.319 -0.093 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)C(=O)OC ZINC000273656860 483628261 /nfs/dbraw/zinc/62/82/61/483628261.db2.gz HLJSIVBIBYSIAH-SNVBAGLBSA-N -1 0 363.319 -0.093 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cn1C ZINC000273661222 483627626 /nfs/dbraw/zinc/62/76/26/483627626.db2.gz VZJVCXQHGAXLCZ-UHFFFAOYSA-N -1 0 355.376 -0.316 20 0 FBADRM COC(=O)[C@H](C)CNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000273663055 483628247 /nfs/dbraw/zinc/62/82/47/483628247.db2.gz IGTSQIJKUOWZPM-SECBINFHSA-N -1 0 358.372 -0.412 20 0 FBADRM COC(=O)[C@@H](C)CNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000273663057 243913044 /nfs/dbraw/zinc/91/30/44/243913044.db2.gz IGTSQIJKUOWZPM-VIFPVBQESA-N -1 0 358.372 -0.412 20 0 FBADRM NC(=O)[C@H]1CN(S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)CCO1 ZINC000273663093 601574768 /nfs/dbraw/zinc/57/47/68/601574768.db2.gz IIJWXMIFUABHOF-SECBINFHSA-N -1 0 350.299 -0.462 20 0 FBADRM NC(=O)[C@@H]1CN(S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)CCO1 ZINC000273663094 601574778 /nfs/dbraw/zinc/57/47/78/601574778.db2.gz IIJWXMIFUABHOF-VIFPVBQESA-N -1 0 350.299 -0.462 20 0 FBADRM CCS(=O)(=O)NCCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000273669261 483627921 /nfs/dbraw/zinc/62/79/21/483627921.db2.gz JDTDPLOXESTWLP-UHFFFAOYSA-N -1 0 350.418 -0.008 20 0 FBADRM COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000273670865 536594245 /nfs/dbraw/zinc/59/42/45/536594245.db2.gz JILOQBTYLBKAKP-OGOUPESXSA-N -1 0 370.383 -0.332 20 0 FBADRM COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)N1CCO[C@H](C(N)=O)C1 ZINC000273670867 483627342 /nfs/dbraw/zinc/62/73/42/483627342.db2.gz JILOQBTYLBKAKP-PYEVWLCESA-N -1 0 370.383 -0.332 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1)C(=O)OC ZINC000273672786 483627889 /nfs/dbraw/zinc/62/78/89/483627889.db2.gz JROKDJFXXQQMHO-JTQLQIEISA-N -1 0 363.319 -0.093 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1)C(=O)OC ZINC000273672790 536312637 /nfs/dbraw/zinc/31/26/37/536312637.db2.gz JROKDJFXXQQMHO-SNVBAGLBSA-N -1 0 363.319 -0.093 20 0 FBADRM COC(=O)CN(C)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000273677892 483627400 /nfs/dbraw/zinc/62/74/00/483627400.db2.gz KLOOOIZTENPULI-JTQLQIEISA-N -1 0 370.383 -0.082 20 0 FBADRM COC(=O)CN(C)S(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000273677895 243911886 /nfs/dbraw/zinc/91/18/86/243911886.db2.gz KLOOOIZTENPULI-SNVBAGLBSA-N -1 0 370.383 -0.082 20 0 FBADRM NC(=O)COCCNS(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000273678335 243914092 /nfs/dbraw/zinc/91/40/92/243914092.db2.gz HCWOMZZAXRGCMS-UHFFFAOYSA-N -1 0 366.779 -0.416 20 0 FBADRM CCOC(=O)[C@@H](C)CNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000273679507 483627863 /nfs/dbraw/zinc/62/78/63/483627863.db2.gz KNKDHPCOSFTGOW-JTQLQIEISA-N -1 0 372.399 -0.022 20 0 FBADRM CCOC(=O)[C@H](C)CNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000273679509 483627333 /nfs/dbraw/zinc/62/73/33/483627333.db2.gz KNKDHPCOSFTGOW-SNVBAGLBSA-N -1 0 372.399 -0.022 20 0 FBADRM CN1CC[C@@H](NS(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)C1=O ZINC000273679556 536458876 /nfs/dbraw/zinc/45/88/76/536458876.db2.gz KODXELYZVRDBSQ-LLVKDONJSA-N -1 0 355.372 -0.990 20 0 FBADRM CN1CC[C@H](NS(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)C1=O ZINC000273679559 483628138 /nfs/dbraw/zinc/62/81/38/483628138.db2.gz KODXELYZVRDBSQ-NSHDSACASA-N -1 0 355.372 -0.990 20 0 FBADRM NC(=O)COCCNS(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000273684429 483628110 /nfs/dbraw/zinc/62/81/10/483628110.db2.gz HTZDVFUIVQHRQT-UHFFFAOYSA-N -1 0 354.743 -0.043 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1F ZINC000273686137 243913189 /nfs/dbraw/zinc/91/31/89/243913189.db2.gz HZKOMWKEPPSAEC-SECBINFHSA-N -1 0 373.362 -0.313 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)cc1F ZINC000273686142 243912059 /nfs/dbraw/zinc/91/20/59/243912059.db2.gz HZKOMWKEPPSAEC-VIFPVBQESA-N -1 0 373.362 -0.313 20 0 FBADRM CN(C)C(=O)NCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000273687354 483627907 /nfs/dbraw/zinc/62/79/07/483627907.db2.gz LROBDMQMGSCXSN-UHFFFAOYSA-N -1 0 372.403 -0.950 20 0 FBADRM NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)CCO1 ZINC000273687495 483628076 /nfs/dbraw/zinc/62/80/76/483628076.db2.gz LTXKAVZHZAPXHS-LLVKDONJSA-N -1 0 362.335 -0.836 20 0 FBADRM NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)CCO1 ZINC000273687500 483628116 /nfs/dbraw/zinc/62/81/16/483628116.db2.gz LTXKAVZHZAPXHS-NSHDSACASA-N -1 0 362.335 -0.836 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(=O)OC ZINC000273689318 483627435 /nfs/dbraw/zinc/62/74/35/483627435.db2.gz LWBZNTITUFQWMI-SECBINFHSA-N -1 0 363.319 -0.093 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(=O)OC ZINC000273689323 483627283 /nfs/dbraw/zinc/62/72/83/483627283.db2.gz LWBZNTITUFQWMI-VIFPVBQESA-N -1 0 363.319 -0.093 20 0 FBADRM CCS(=O)(=O)NCCCNS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000273694477 483627055 /nfs/dbraw/zinc/62/70/55/483627055.db2.gz MQQVAYIURRJXJD-UHFFFAOYSA-N -1 0 354.406 -0.106 20 0 FBADRM NS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CC1 ZINC000273694658 485269505 /nfs/dbraw/zinc/26/95/05/485269505.db2.gz BYAZJYPJGQVHLQ-UHFFFAOYSA-N -1 0 367.380 -0.966 20 0 FBADRM CCn1cc(S(=O)(=O)N2CCN(C(=O)COC)CC2)cc1C(=O)[O-] ZINC000273697470 485269434 /nfs/dbraw/zinc/26/94/34/485269434.db2.gz NAIVCNRVAOXRPM-UHFFFAOYSA-N -1 0 359.404 -0.315 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000273697802 485269856 /nfs/dbraw/zinc/26/98/56/485269856.db2.gz COABECXRIZRVPX-UHFFFAOYSA-N -1 0 363.417 -0.797 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-])C(=O)OC ZINC000273699152 483628129 /nfs/dbraw/zinc/62/81/29/483628129.db2.gz NIAGFKPSYHVGEO-MRVPVSSYSA-N -1 0 363.344 -0.022 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-])C(=O)OC ZINC000273699154 483627109 /nfs/dbraw/zinc/62/71/09/483627109.db2.gz NIAGFKPSYHVGEO-QMMMGPOBSA-N -1 0 363.344 -0.022 20 0 FBADRM NC(=O)COCCNS(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000273699484 483627762 /nfs/dbraw/zinc/62/77/62/483627762.db2.gz JOSPYVCSXWUPPQ-UHFFFAOYSA-N -1 0 358.372 -0.486 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)cc1C(=O)[O-] ZINC000273702347 485269394 /nfs/dbraw/zinc/26/93/94/485269394.db2.gz DPTJMKGZFCAXQG-UHFFFAOYSA-N -1 0 363.417 -0.797 20 0 FBADRM COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)NCCOCC(N)=O ZINC000273707120 485270211 /nfs/dbraw/zinc/27/02/11/485270211.db2.gz KRIGMRPTHSTZTI-HWKANZROSA-N -1 0 358.372 -0.427 20 0 FBADRM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N(CC(N)=O)CC(N)=O ZINC000273709978 243912341 /nfs/dbraw/zinc/91/23/41/243912341.db2.gz OXDOHCUECRAWLH-UHFFFAOYSA-N -1 0 363.779 -0.692 20 0 FBADRM Cc1oc(C)c(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)c1C(=O)[O-] ZINC000273712797 485269598 /nfs/dbraw/zinc/26/95/98/485269598.db2.gz GOLQCINBAURYAA-UHFFFAOYSA-N -1 0 367.405 -0.896 20 0 FBADRM NS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC000273714356 485270112 /nfs/dbraw/zinc/27/01/12/485270112.db2.gz GYQNVZGHKIBPSF-UHFFFAOYSA-N -1 0 367.380 -0.966 20 0 FBADRM Cc1cc(S(=O)(=O)N(CC(N)=O)CC(N)=O)cc(C(=O)[O-])c1Cl ZINC000273719611 483627509 /nfs/dbraw/zinc/62/75/09/483627509.db2.gz QFHCFXJQEMEJJK-UHFFFAOYSA-N -1 0 363.779 -0.692 20 0 FBADRM CC(C)[C@@H](NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)C(N)=O ZINC000273728576 483629004 /nfs/dbraw/zinc/62/90/04/483629004.db2.gz RMTFOIGQUOTRPG-GFCCVEGCSA-N -1 0 357.388 -0.711 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1C(=O)[O-] ZINC000273731449 485270037 /nfs/dbraw/zinc/27/00/37/485270037.db2.gz NOYBIQAXPMKFPK-SECBINFHSA-N -1 0 355.372 -0.209 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)cc1C(=O)[O-] ZINC000273731455 485269650 /nfs/dbraw/zinc/26/96/50/485269650.db2.gz NOYBIQAXPMKFPK-VIFPVBQESA-N -1 0 355.372 -0.209 20 0 FBADRM CCOC(=O)CNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000273734656 243913194 /nfs/dbraw/zinc/91/31/94/243913194.db2.gz KXLSLDDMCDBDJX-JTQLQIEISA-N -1 0 370.383 -0.035 20 0 FBADRM CCOC(=O)CNS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000273734659 483629127 /nfs/dbraw/zinc/62/91/27/483629127.db2.gz KXLSLDDMCDBDJX-SNVBAGLBSA-N -1 0 370.383 -0.035 20 0 FBADRM CCS(=O)(=O)NCCCNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000273735402 483628607 /nfs/dbraw/zinc/62/86/07/483628607.db2.gz SJBFIOGMLGLRKP-UHFFFAOYSA-N -1 0 350.418 -0.008 20 0 FBADRM CCOC(=O)CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000273736984 483628982 /nfs/dbraw/zinc/62/89/82/483628982.db2.gz SQVVOJYBHGMRAN-UHFFFAOYSA-N -1 0 358.372 -0.268 20 0 FBADRM NC(=O)[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)CCO1 ZINC000273737000 483629329 /nfs/dbraw/zinc/62/93/29/483629329.db2.gz SRLPKMFRJLAYHA-GFCCVEGCSA-N -1 0 354.384 -0.252 20 0 FBADRM NC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)CCO1 ZINC000273737002 483628660 /nfs/dbraw/zinc/62/86/60/483628660.db2.gz SRLPKMFRJLAYHA-LBPRGKRZSA-N -1 0 354.384 -0.252 20 0 FBADRM COc1cc(S(=O)(=O)N2CCNC(=O)[C@H]2C)cc(C(=O)[O-])c1OC ZINC000273738087 485269359 /nfs/dbraw/zinc/26/93/59/485269359.db2.gz OJRDHGCOIJOQTB-MRVPVSSYSA-N -1 0 358.372 -0.089 20 0 FBADRM COc1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2C)cc(C(=O)[O-])c1OC ZINC000273738092 243911987 /nfs/dbraw/zinc/91/19/87/243911987.db2.gz OJRDHGCOIJOQTB-QMMMGPOBSA-N -1 0 358.372 -0.089 20 0 FBADRM COc1cc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)cc(C(=O)[O-])c1OC ZINC000273739365 243911815 /nfs/dbraw/zinc/91/18/15/243911815.db2.gz OLLMYNJEOPYNBH-JTQLQIEISA-N -1 0 374.371 -0.723 20 0 FBADRM COc1cc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)cc(C(=O)[O-])c1OC ZINC000273739369 243913073 /nfs/dbraw/zinc/91/30/73/243913073.db2.gz OLLMYNJEOPYNBH-SNVBAGLBSA-N -1 0 374.371 -0.723 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCSC[C@H]2C(N)=O)cc1C(=O)[O-] ZINC000273739661 483629264 /nfs/dbraw/zinc/62/92/64/483629264.db2.gz OPBWAMDBQMHLNJ-JTQLQIEISA-N -1 0 360.413 -0.015 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCSC[C@@H]2C(N)=O)cc1C(=O)[O-] ZINC000273739664 483629286 /nfs/dbraw/zinc/62/92/86/483629286.db2.gz OPBWAMDBQMHLNJ-SNVBAGLBSA-N -1 0 360.413 -0.015 20 0 FBADRM CN(C)C(=O)NCCNS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000273741981 483628863 /nfs/dbraw/zinc/62/88/63/483628863.db2.gz UAOIWFZLXJFFQS-UHFFFAOYSA-N -1 0 363.367 -0.161 20 0 FBADRM COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)N1CCOC[C@@H]1C(N)=O ZINC000273746434 485269465 /nfs/dbraw/zinc/26/94/65/485269465.db2.gz PIKDHXHLJVIIIE-JOAKQRRISA-N -1 0 370.383 -0.332 20 0 FBADRM COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)N1CCOC[C@H]1C(N)=O ZINC000273746436 485269902 /nfs/dbraw/zinc/26/99/02/485269902.db2.gz PIKDHXHLJVIIIE-TZNOJPMFSA-N -1 0 370.383 -0.332 20 0 FBADRM COc1cc(S(=O)(=O)N[C@H]2CCN(C)C2=O)cc(C(=O)[O-])c1OC ZINC000273747401 485269349 /nfs/dbraw/zinc/26/93/49/485269349.db2.gz UTSKXWIFVPFWER-JTQLQIEISA-N -1 0 358.372 -0.089 20 0 FBADRM COc1cc(S(=O)(=O)N[C@@H]2CCN(C)C2=O)cc(C(=O)[O-])c1OC ZINC000273747403 485269561 /nfs/dbraw/zinc/26/95/61/485269561.db2.gz UTSKXWIFVPFWER-SNVBAGLBSA-N -1 0 358.372 -0.089 20 0 FBADRM NC(=O)COCCNS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000273753810 483629471 /nfs/dbraw/zinc/62/94/71/483629471.db2.gz PYRGDUMBRQOXRQ-UHFFFAOYSA-N -1 0 350.324 -0.931 20 0 FBADRM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N(CC(N)=O)CC(N)=O ZINC000273754885 483629019 /nfs/dbraw/zinc/62/90/19/483629019.db2.gz VSDXGWLBUKIEEV-UHFFFAOYSA-N -1 0 363.779 -0.692 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000273757496 485269892 /nfs/dbraw/zinc/26/98/92/485269892.db2.gz QICRXHXLJKGGNM-JTQLQIEISA-N -1 0 355.372 -0.209 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000273757502 243916419 /nfs/dbraw/zinc/91/64/19/243916419.db2.gz QICRXHXLJKGGNM-SNVBAGLBSA-N -1 0 355.372 -0.209 20 0 FBADRM NS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000273758155 485269687 /nfs/dbraw/zinc/26/96/87/485269687.db2.gz ONDVEQGWCHUAHW-UHFFFAOYSA-N -1 0 367.380 -0.966 20 0 FBADRM NC(=O)COCCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000273761233 483629583 /nfs/dbraw/zinc/62/95/83/483629583.db2.gz QRNMWPIFDUBQPB-UHFFFAOYSA-N -1 0 354.743 -0.043 20 0 FBADRM NC(=O)[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCO1 ZINC000273767674 483629174 /nfs/dbraw/zinc/62/91/74/483629174.db2.gz XAJGLAYEJIDYNT-SECBINFHSA-N -1 0 350.299 -0.462 20 0 FBADRM NC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCO1 ZINC000273767677 483628765 /nfs/dbraw/zinc/62/87/65/483628765.db2.gz XAJGLAYEJIDYNT-VIFPVBQESA-N -1 0 350.299 -0.462 20 0 FBADRM COCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)CC1 ZINC000273773212 485270017 /nfs/dbraw/zinc/27/00/17/485270017.db2.gz XUKHKEZMESZGOF-UHFFFAOYSA-N -1 0 372.399 -0.127 20 0 FBADRM CN1C[C@H](NS(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)CCC1=O ZINC000273773219 483628619 /nfs/dbraw/zinc/62/86/19/483628619.db2.gz XUVDKYAXFJYECQ-LLVKDONJSA-N -1 0 369.399 -0.600 20 0 FBADRM CN1C[C@@H](NS(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)CCC1=O ZINC000273773222 483629407 /nfs/dbraw/zinc/62/94/07/483629407.db2.gz XUVDKYAXFJYECQ-NSHDSACASA-N -1 0 369.399 -0.600 20 0 FBADRM CCC(CC)(NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)C(N)=O ZINC000273779876 483628973 /nfs/dbraw/zinc/62/89/73/483628973.db2.gz YUDITEYAGMMRSN-UHFFFAOYSA-N -1 0 371.415 -0.177 20 0 FBADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000273783672 243914522 /nfs/dbraw/zinc/91/45/22/243914522.db2.gz UBQFHRSTPPBODM-UHFFFAOYSA-N -1 0 363.417 -0.797 20 0 FBADRM NS(=O)(=O)N1CCN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)CC1 ZINC000273783689 483629555 /nfs/dbraw/zinc/62/95/55/483629555.db2.gz UBTQXFGQEOUVJK-UHFFFAOYSA-N -1 0 367.380 -0.966 20 0 FBADRM CC(C)(C)[C@H](NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)C(N)=O ZINC000273785951 483629377 /nfs/dbraw/zinc/62/93/77/483629377.db2.gz ZPKKKFXEONFIGH-GFCCVEGCSA-N -1 0 371.415 -0.321 20 0 FBADRM CC(C)(C)[C@@H](NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)C(N)=O ZINC000273785953 483629386 /nfs/dbraw/zinc/62/93/86/483629386.db2.gz ZPKKKFXEONFIGH-LBPRGKRZSA-N -1 0 371.415 -0.321 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCO[C@@H](C(N)=O)C2)cc1CC(=O)[O-] ZINC000273786015 483629153 /nfs/dbraw/zinc/62/91/53/483629153.db2.gz ZRLJJCVENZUCKJ-GFCCVEGCSA-N -1 0 358.372 -0.803 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCO[C@H](C(N)=O)C2)cc1CC(=O)[O-] ZINC000273786017 483629399 /nfs/dbraw/zinc/62/93/99/483629399.db2.gz ZRLJJCVENZUCKJ-LBPRGKRZSA-N -1 0 358.372 -0.803 20 0 FBADRM NS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000273795914 485270163 /nfs/dbraw/zinc/27/01/63/485270163.db2.gz WFILJPUCVFWIIC-UHFFFAOYSA-N -1 0 367.380 -0.966 20 0 FBADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000273800726 243915129 /nfs/dbraw/zinc/91/51/29/243915129.db2.gz SNPLKVBVTRPXIK-SECBINFHSA-N -1 0 355.372 -0.203 20 0 FBADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000273800729 485269953 /nfs/dbraw/zinc/26/99/53/485269953.db2.gz SNPLKVBVTRPXIK-VIFPVBQESA-N -1 0 355.372 -0.203 20 0 FBADRM NC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000273800780 483628811 /nfs/dbraw/zinc/62/88/11/483628811.db2.gz SOIVXUDALMKPFW-LLVKDONJSA-N -1 0 360.413 -0.259 20 0 FBADRM NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000273800783 483629333 /nfs/dbraw/zinc/62/93/33/483629333.db2.gz SOIVXUDALMKPFW-NSHDSACASA-N -1 0 360.413 -0.259 20 0 FBADRM Cc1cc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)sc1C(=O)[O-] ZINC000273800818 485270263 /nfs/dbraw/zinc/27/02/63/485270263.db2.gz XBHIRJCPTFRUTO-UHFFFAOYSA-N -1 0 369.446 -0.735 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCSC[C@@H]2C(N)=O)cc1CC(=O)[O-] ZINC000273802662 483629010 /nfs/dbraw/zinc/62/90/10/483629010.db2.gz SVBQKEBRDBDLTI-LLVKDONJSA-N -1 0 374.440 -0.086 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCSC[C@H]2C(N)=O)cc1CC(=O)[O-] ZINC000273802663 483629134 /nfs/dbraw/zinc/62/91/34/483629134.db2.gz SVBQKEBRDBDLTI-NSHDSACASA-N -1 0 374.440 -0.086 20 0 FBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000273809479 485269719 /nfs/dbraw/zinc/26/97/19/485269719.db2.gz YQVHLUSMKPMAPB-UHFFFAOYSA-N -1 0 363.417 -0.797 20 0 FBADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N1CCSC[C@@H]1C(N)=O ZINC000273812023 483629534 /nfs/dbraw/zinc/62/95/34/483629534.db2.gz UMLVIMBSDNWUKN-SECBINFHSA-N -1 0 360.413 -0.010 20 0 FBADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N1CCSC[C@H]1C(N)=O ZINC000273812026 243915299 /nfs/dbraw/zinc/91/52/99/243915299.db2.gz UMLVIMBSDNWUKN-VIFPVBQESA-N -1 0 360.413 -0.010 20 0 FBADRM COc1cc(S(=O)(=O)NCCOCC(N)=O)c(Cl)cc1C(=O)[O-] ZINC000273814129 483628937 /nfs/dbraw/zinc/62/89/37/483628937.db2.gz UOKYGHUKKRECLF-UHFFFAOYSA-N -1 0 366.779 -0.173 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000273830896 485270668 /nfs/dbraw/zinc/27/06/68/485270668.db2.gz WFAQFQNSDYGTLH-JTQLQIEISA-N -1 0 355.372 -0.452 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000273830899 485270707 /nfs/dbraw/zinc/27/07/07/485270707.db2.gz WFAQFQNSDYGTLH-SNVBAGLBSA-N -1 0 355.372 -0.452 20 0 FBADRM CC(C)N1C(=O)C[C@@H](NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C1=O ZINC000273840889 483630091 /nfs/dbraw/zinc/63/00/91/483630091.db2.gz XGFCAITZYZCFSF-GFCCVEGCSA-N -1 0 370.383 -0.036 20 0 FBADRM CC(C)N1C(=O)C[C@H](NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C1=O ZINC000273840893 483630474 /nfs/dbraw/zinc/63/04/74/483630474.db2.gz XGFCAITZYZCFSF-LBPRGKRZSA-N -1 0 370.383 -0.036 20 0 FBADRM C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000273855851 243915960 /nfs/dbraw/zinc/91/59/60/243915960.db2.gz YQYUJGNGWRPMBZ-SECBINFHSA-N -1 0 355.372 -0.990 20 0 FBADRM C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000273855856 483630300 /nfs/dbraw/zinc/63/03/00/483630300.db2.gz YQYUJGNGWRPMBZ-VIFPVBQESA-N -1 0 355.372 -0.990 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1CC(=O)[O-] ZINC000273857734 483630999 /nfs/dbraw/zinc/63/09/99/483630999.db2.gz YWGKGNIZZUWGFQ-LLVKDONJSA-N -1 0 369.399 -0.280 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)cc1CC(=O)[O-] ZINC000273857737 483630029 /nfs/dbraw/zinc/63/00/29/483630029.db2.gz YWGKGNIZZUWGFQ-NSHDSACASA-N -1 0 369.399 -0.280 20 0 FBADRM NC(=O)COCCNS(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000273864744 485271066 /nfs/dbraw/zinc/27/10/66/485271066.db2.gz ZRBZFACFKFZNNB-UHFFFAOYSA-N -1 0 354.743 -0.043 20 0 FBADRM CC1(C)C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000273866716 243915026 /nfs/dbraw/zinc/91/50/26/243915026.db2.gz ZYPHWIJWKBCLHI-UHFFFAOYSA-N -1 0 369.399 -0.600 20 0 FBADRM O=C(Cn1cnnn1)N1CCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000273933362 483630810 /nfs/dbraw/zinc/63/08/10/483630810.db2.gz IQIREUUFMFXQNO-UHFFFAOYSA-N -1 0 352.301 -0.359 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC000274064149 483632905 /nfs/dbraw/zinc/63/29/05/483632905.db2.gz ARHVQIPULYQWCS-UHFFFAOYSA-N -1 0 355.372 -0.404 20 0 FBADRM COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000274131114 485272976 /nfs/dbraw/zinc/27/29/76/485272976.db2.gz DZRCAEUVRASRSU-UHFFFAOYSA-N -1 0 374.371 -0.399 20 0 FBADRM COC[C@@](C)([N-]S(=O)(=O)c1scnc1C(=O)OC)C(=O)OC ZINC000274131486 483636710 /nfs/dbraw/zinc/63/67/10/483636710.db2.gz HVROVPZHRSHTMW-LLVKDONJSA-N -1 0 352.390 -0.214 20 0 FBADRM COC[C@](C)([N-]S(=O)(=O)c1scnc1C(=O)OC)C(=O)OC ZINC000274131488 483636090 /nfs/dbraw/zinc/63/60/90/483636090.db2.gz HVROVPZHRSHTMW-NSHDSACASA-N -1 0 352.390 -0.214 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCS(=O)(=O)NC(C)C ZINC000274135452 483635836 /nfs/dbraw/zinc/63/58/36/483635836.db2.gz IKOZSXBGFRLOSK-UHFFFAOYSA-N -1 0 371.462 -0.464 20 0 FBADRM COC(=O)CN(CC(=O)OC)C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000274148926 483635927 /nfs/dbraw/zinc/63/59/27/483635927.db2.gz CBMRXCBGHUMMIY-JTQLQIEISA-N -1 0 356.297 -0.136 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCCN1C(=O)CNC1=O ZINC000274161727 483636841 /nfs/dbraw/zinc/63/68/41/483636841.db2.gz FNTXQVMPMHAANI-VIFPVBQESA-N -1 0 352.313 -0.252 20 0 FBADRM Cc1cc(C)n(CC(=O)Nc2nnc([N-]S(C)(=O)=O)s2)c(=O)n1 ZINC000274173570 483636820 /nfs/dbraw/zinc/63/68/20/483636820.db2.gz HUXHCIRIDIRMTQ-UHFFFAOYSA-N -1 0 358.405 -0.278 20 0 FBADRM O=C([O-])C(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000274181783 243923900 /nfs/dbraw/zinc/92/39/00/243923900.db2.gz OWIMAQKTNIBLOL-UHFFFAOYSA-N -1 0 370.383 -0.235 20 0 FBADRM O=C([O-])C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000274191483 243924061 /nfs/dbraw/zinc/92/40/61/243924061.db2.gz REUUFRVWROGQML-UHFFFAOYSA-N -1 0 353.356 -0.901 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCCN1CCNC(=O)C1 ZINC000274195833 483637953 /nfs/dbraw/zinc/63/79/53/483637953.db2.gz RWULNLCBGIXFSC-UHFFFAOYSA-N -1 0 362.433 -0.970 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000274233198 483639286 /nfs/dbraw/zinc/63/92/86/483639286.db2.gz YUDZPAWWRDTBIY-SSDOTTSWSA-N -1 0 361.401 -0.256 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CC(=O)N(C(C)C)C1=O ZINC000274233199 243925956 /nfs/dbraw/zinc/92/59/56/243925956.db2.gz YUDZPAWWRDTBIY-ZETCQYMHSA-N -1 0 361.401 -0.256 20 0 FBADRM O=S(=O)(CCNS(=O)(=O)c1ccccc1)[N-]CC(F)(F)CO ZINC000274238980 483639247 /nfs/dbraw/zinc/63/92/47/483639247.db2.gz BXQIMCYCQLVTEX-UHFFFAOYSA-N -1 0 358.388 -0.488 20 0 FBADRM CNC(=O)C1CN(C(=O)c2cc([N-]S(C)(=O)=O)c(OC)c(OC)c2)C1 ZINC000274331695 483641716 /nfs/dbraw/zinc/64/17/16/483641716.db2.gz ARHKORZLEZXEFE-UHFFFAOYSA-N -1 0 371.415 -0.107 20 0 FBADRM CNC(=O)C1CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])C1 ZINC000274353919 483641935 /nfs/dbraw/zinc/64/19/35/483641935.db2.gz INZKCGBNJPCGFE-UHFFFAOYSA-N -1 0 367.427 -0.005 20 0 FBADRM O=C(c1ccc(F)cc1[O-])N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC000274355411 483642764 /nfs/dbraw/zinc/64/27/64/483642764.db2.gz FEAUOLNKFMSEGQ-UHFFFAOYSA-N -1 0 355.351 -0.204 20 0 FBADRM O=C(NCC(F)(F)CO)c1ccc2c(c1)S(=O)(=O)[N-]c1ncnn1-2 ZINC000274382203 483643816 /nfs/dbraw/zinc/64/38/16/483643816.db2.gz NDQLUDXHRIBXAH-UHFFFAOYSA-N -1 0 359.314 -0.261 20 0 FBADRM CCn1nccc1S(=O)(=O)[N-]c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000274391531 483643763 /nfs/dbraw/zinc/64/37/63/483643763.db2.gz BEVGHIMEKRNTTC-UHFFFAOYSA-N -1 0 364.387 -0.351 20 0 FBADRM CCn1nccc1S(=O)(=O)[N-]c1cnn(CC(=O)NCCOC)c1 ZINC000274427870 483645817 /nfs/dbraw/zinc/64/58/17/483645817.db2.gz LTWHSAVCQIOSEK-UHFFFAOYSA-N -1 0 356.408 -0.337 20 0 FBADRM COC(=O)C1(c2ccc(S(=O)(=O)[N-]N3CC(=O)N(C)C3=O)cc2)CC1 ZINC000274428804 483645920 /nfs/dbraw/zinc/64/59/20/483645920.db2.gz GKFCZNFQBTVLPI-UHFFFAOYSA-N -1 0 367.383 -0.022 20 0 FBADRM CN(C)C(=O)COc1ccc(C(F)(F)C(=O)[N-]N2CC(=O)NC2=O)cc1 ZINC000274441774 483645691 /nfs/dbraw/zinc/64/56/91/483645691.db2.gz QMGXQKVTYGNJAU-UHFFFAOYSA-N -1 0 370.312 -0.172 20 0 FBADRM CCn1nccc1S(=O)(=O)[N-]c1cnn(CC(=O)N2CCOCC2)c1 ZINC000274458541 483647531 /nfs/dbraw/zinc/64/75/31/483647531.db2.gz SGNCFHUNLFHLGJ-UHFFFAOYSA-N -1 0 368.419 -0.241 20 0 FBADRM CCn1nccc1S(=O)(=O)[N-]c1ccn(CC(=O)N2CCOCC2)n1 ZINC000274458703 483647810 /nfs/dbraw/zinc/64/78/10/483647810.db2.gz SKMBMQNSNMXHEZ-UHFFFAOYSA-N -1 0 368.419 -0.241 20 0 FBADRM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)s1 ZINC000274484913 536571137 /nfs/dbraw/zinc/57/11/37/536571137.db2.gz RDQBCNHOQLRSPS-UHFFFAOYSA-N -1 0 363.373 -0.369 20 0 FBADRM CN(C)C(=O)COc1ccc(C(F)(F)C(=O)[N-]n2cn[nH]c2=O)cc1 ZINC000274502912 483648524 /nfs/dbraw/zinc/64/85/24/483648524.db2.gz FJZQOWBDDOMQOM-UHFFFAOYSA-N -1 0 355.301 -0.100 20 0 FBADRM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c1 ZINC000274506413 483649423 /nfs/dbraw/zinc/64/94/23/483649423.db2.gz WAWXBJXJKWEKQS-UHFFFAOYSA-N -1 0 357.344 -0.431 20 0 FBADRM CO[C@@H]1C[C@H](C(=O)[N-]OCC(N)=O)N(C(=O)OCc2ccccc2)C1 ZINC000274523215 243941395 /nfs/dbraw/zinc/94/13/95/243941395.db2.gz BNMXUHXWIMTMAD-CHWSQXEVSA-N -1 0 351.359 -0.054 20 0 FBADRM CO[C@@H]1C[C@@H](C(=O)[N-]OCC(N)=O)N(C(=O)OCc2ccccc2)C1 ZINC000274523217 483650057 /nfs/dbraw/zinc/65/00/57/483650057.db2.gz BNMXUHXWIMTMAD-OLZOCXBDSA-N -1 0 351.359 -0.054 20 0 FBADRM CO[C@H]1C[C@H](C(=O)[N-]OCC(N)=O)N(C(=O)OCc2ccccc2)C1 ZINC000274523220 483650180 /nfs/dbraw/zinc/65/01/80/483650180.db2.gz BNMXUHXWIMTMAD-QWHCGFSZSA-N -1 0 351.359 -0.054 20 0 FBADRM CO[C@H]1C[C@@H](C(=O)[N-]OCC(N)=O)N(C(=O)OCc2ccccc2)C1 ZINC000274523222 243941372 /nfs/dbraw/zinc/94/13/72/243941372.db2.gz BNMXUHXWIMTMAD-STQMWFEESA-N -1 0 351.359 -0.054 20 0 FBADRM COC(=O)[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)[C@H](C)O ZINC000274555833 483652259 /nfs/dbraw/zinc/65/22/59/483652259.db2.gz NUIRFGANCDYSOW-CPCISQLKSA-N -1 0 351.384 -0.126 20 0 FBADRM COC(=O)[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)[C@@H](C)O ZINC000274555835 483652681 /nfs/dbraw/zinc/65/26/81/483652681.db2.gz NUIRFGANCDYSOW-HQJQHLMTSA-N -1 0 351.384 -0.126 20 0 FBADRM COC(=O)[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)[C@@H](C)O ZINC000274555837 483652735 /nfs/dbraw/zinc/65/27/35/483652735.db2.gz NUIRFGANCDYSOW-RDDDGLTNSA-N -1 0 351.384 -0.126 20 0 FBADRM COC(=O)[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)[C@H](C)O ZINC000274555839 483651390 /nfs/dbraw/zinc/65/13/90/483651390.db2.gz NUIRFGANCDYSOW-WRWORJQWSA-N -1 0 351.384 -0.126 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc2c1C(=O)NC2 ZINC000274585974 536078669 /nfs/dbraw/zinc/07/86/69/536078669.db2.gz UEDSDJQBFXIIMY-UHFFFAOYSA-N -1 0 361.445 -0.047 20 0 FBADRM O=C(C(=O)N1CCN(C(=O)c2c([O-])cccc2F)CC1)N1CCOCC1 ZINC000274638134 483654568 /nfs/dbraw/zinc/65/45/68/483654568.db2.gz YERKPMPBIOPBFD-UHFFFAOYSA-N -1 0 365.361 -0.326 20 0 FBADRM COC(=O)[C@H](NC(=O)c1cnc([O-])n(C)c1=O)c1ccc(OC)c(O)c1 ZINC000274708321 483657043 /nfs/dbraw/zinc/65/70/43/483657043.db2.gz POEXZUHXZRQZBZ-GFCCVEGCSA-N -1 0 363.326 -0.156 20 0 FBADRM COC(=O)[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)c1ccc(OC)c(O)c1 ZINC000274708323 483657256 /nfs/dbraw/zinc/65/72/56/483657256.db2.gz POEXZUHXZRQZBZ-LBPRGKRZSA-N -1 0 363.326 -0.156 20 0 FBADRM COCCNC(=O)Cn1cc([N-]S(=O)(=O)c2c(C)nn(C)c2C)cn1 ZINC000274718380 483657640 /nfs/dbraw/zinc/65/76/40/483657640.db2.gz DFGYHJCIYUBCMS-UHFFFAOYSA-N -1 0 370.435 -0.203 20 0 FBADRM CCO[C@@H]1C[C@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@@H]1OC ZINC000274724724 535510478 /nfs/dbraw/zinc/51/04/78/535510478.db2.gz FFPPQKLXGNYPOS-AXFHLTTASA-N -1 0 370.387 -0.093 20 0 FBADRM CCO[C@@H]1C[C@@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@H]1OC ZINC000274724729 483658624 /nfs/dbraw/zinc/65/86/24/483658624.db2.gz FFPPQKLXGNYPOS-GMTAPVOTSA-N -1 0 370.387 -0.093 20 0 FBADRM CCO[C@@H]1C[C@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@H]1OC ZINC000274724734 483658116 /nfs/dbraw/zinc/65/81/16/483658116.db2.gz FFPPQKLXGNYPOS-HBNTYKKESA-N -1 0 370.387 -0.093 20 0 FBADRM CCO[C@@H]1C[C@@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@@H]1OC ZINC000274724739 483658764 /nfs/dbraw/zinc/65/87/64/483658764.db2.gz FFPPQKLXGNYPOS-MXWKQRLJSA-N -1 0 370.387 -0.093 20 0 FBADRM C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)[N-]OCC(N)=O)C1=O ZINC000274749257 483658200 /nfs/dbraw/zinc/65/82/00/483658200.db2.gz WXTHATLASXQNGL-AWEZNQCLSA-N -1 0 372.740 -0.221 20 0 FBADRM C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)[N-]OCC(N)=O)C1=O ZINC000274749260 483658813 /nfs/dbraw/zinc/65/88/13/483658813.db2.gz WXTHATLASXQNGL-CQSZACIVSA-N -1 0 372.740 -0.221 20 0 FBADRM C[C@H](CN(C)C(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1nnn[n-]1 ZINC000274756944 483658425 /nfs/dbraw/zinc/65/84/25/483658425.db2.gz IZEFPHYTOKZRBY-SECBINFHSA-N -1 0 355.399 -0.598 20 0 FBADRM C[C@@H](CN(C)C(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1nnn[n-]1 ZINC000274756949 483658582 /nfs/dbraw/zinc/65/85/82/483658582.db2.gz IZEFPHYTOKZRBY-VIFPVBQESA-N -1 0 355.399 -0.598 20 0 FBADRM C[C@H](CN(C)C(=O)CNC1=NS(=O)(=O)c2ccccc21)c1nnn[n-]1 ZINC000274786058 483659716 /nfs/dbraw/zinc/65/97/16/483659716.db2.gz OSYVTNKUKPTKPP-SECBINFHSA-N -1 0 363.403 -0.500 20 0 FBADRM C[C@@H](CN(C)C(=O)CNC1=NS(=O)(=O)c2ccccc21)c1nnn[n-]1 ZINC000274786061 483659448 /nfs/dbraw/zinc/65/94/48/483659448.db2.gz OSYVTNKUKPTKPP-VIFPVBQESA-N -1 0 363.403 -0.500 20 0 FBADRM Cc1cc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)nc2c1c(=O)n(C)c(=O)n2C ZINC000274830570 483660239 /nfs/dbraw/zinc/66/02/39/483660239.db2.gz ZPPAVVMCZFQGQL-SECBINFHSA-N -1 0 372.389 -0.671 20 0 FBADRM Cc1cc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)nc2c1c(=O)n(C)c(=O)n2C ZINC000274830574 483659406 /nfs/dbraw/zinc/65/94/06/483659406.db2.gz ZPPAVVMCZFQGQL-VIFPVBQESA-N -1 0 372.389 -0.671 20 0 FBADRM O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])N1C[C@@H](O)C[C@H]1CO ZINC000274839030 483661138 /nfs/dbraw/zinc/66/11/38/483661138.db2.gz VATXNMPUIACCMQ-RYUDHWBXSA-N -1 0 370.427 -0.256 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000274859312 483661120 /nfs/dbraw/zinc/66/11/20/483661120.db2.gz ADCJMPDKNNOUSE-UHFFFAOYSA-N -1 0 368.463 -0.653 20 0 FBADRM COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000274868362 243957664 /nfs/dbraw/zinc/95/76/64/243957664.db2.gz ACAIAYBLMLXFPN-SECBINFHSA-N -1 0 364.763 -0.267 20 0 FBADRM COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000274868363 243956156 /nfs/dbraw/zinc/95/61/56/243956156.db2.gz ACAIAYBLMLXFPN-VIFPVBQESA-N -1 0 364.763 -0.267 20 0 FBADRM CCN(CC)C(=O)CN1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC000274873736 483661447 /nfs/dbraw/zinc/66/14/47/483661447.db2.gz FTOMKMUDAKHQJF-UHFFFAOYSA-N -1 0 356.452 -0.797 20 0 FBADRM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c1 ZINC000274875165 483660751 /nfs/dbraw/zinc/66/07/51/483660751.db2.gz BNEXTVYUYYHVTI-SNVBAGLBSA-N -1 0 365.429 -0.179 20 0 FBADRM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)ccc2O1 ZINC000274879489 483662038 /nfs/dbraw/zinc/66/20/38/483662038.db2.gz CLOCOBVPIWBDMA-JCOFBHIZSA-N -1 0 373.383 -0.335 20 0 FBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000274882308 483661699 /nfs/dbraw/zinc/66/16/99/483661699.db2.gz DCXHGHHMHAZEDK-LDWIPMOCSA-N -1 0 370.380 -0.691 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cc1F ZINC000274882355 483662007 /nfs/dbraw/zinc/66/20/07/483662007.db2.gz DENCSGQRPQYTIN-SECBINFHSA-N -1 0 355.365 -0.657 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c(Cl)c1 ZINC000274883343 243960224 /nfs/dbraw/zinc/96/02/24/243960224.db2.gz DIFFVMFGBSASSU-MRVPVSSYSA-N -1 0 364.763 -0.267 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c(Cl)c1 ZINC000274883344 483662168 /nfs/dbraw/zinc/66/21/68/483662168.db2.gz DIFFVMFGBSASSU-QMMMGPOBSA-N -1 0 364.763 -0.267 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc(F)c1F ZINC000274887376 483661775 /nfs/dbraw/zinc/66/17/75/483661775.db2.gz FCGMMCRDNNJORV-MRVPVSSYSA-N -1 0 366.298 -0.642 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc(F)c1F ZINC000274887378 483662000 /nfs/dbraw/zinc/66/20/00/483662000.db2.gz FCGMMCRDNNJORV-QMMMGPOBSA-N -1 0 366.298 -0.642 20 0 FBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000274887396 483661861 /nfs/dbraw/zinc/66/18/61/483661861.db2.gz FCVFYSRPOWPVFL-CYBMUJFWSA-N -1 0 364.383 -0.330 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000274887398 483662021 /nfs/dbraw/zinc/66/20/21/483662021.db2.gz FCVFYSRPOWPVFL-ZDUSSCGKSA-N -1 0 364.383 -0.330 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)CSc2n[nH]c(=O)[n-]2)cc1 ZINC000274889171 483661873 /nfs/dbraw/zinc/66/18/73/483661873.db2.gz LFIAZPLXRIQLGP-UHFFFAOYSA-N -1 0 371.444 -0.407 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])ccc1F ZINC000274890885 243959287 /nfs/dbraw/zinc/95/92/87/243959287.db2.gz FYQPZQBGTNRZHH-JTQLQIEISA-N -1 0 362.335 -0.391 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])ccc1F ZINC000274890887 483661765 /nfs/dbraw/zinc/66/17/65/483661765.db2.gz FYQPZQBGTNRZHH-SNVBAGLBSA-N -1 0 362.335 -0.391 20 0 FBADRM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])ccc2O1 ZINC000274890934 483661955 /nfs/dbraw/zinc/66/19/55/483661955.db2.gz FZWDLORCYOAQTF-AAEUAGOBSA-N -1 0 373.383 -0.333 20 0 FBADRM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])ccc2O1 ZINC000274890935 483661854 /nfs/dbraw/zinc/66/18/54/483661854.db2.gz FZWDLORCYOAQTF-WCQYABFASA-N -1 0 373.383 -0.333 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])CC1 ZINC000274890958 483661742 /nfs/dbraw/zinc/66/17/42/483661742.db2.gz GADCERCUERYSDE-GFCCVEGCSA-N -1 0 374.419 -0.054 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])CC1 ZINC000274890960 483661726 /nfs/dbraw/zinc/66/17/26/483661726.db2.gz GADCERCUERYSDE-LBPRGKRZSA-N -1 0 374.419 -0.054 20 0 FBADRM CCOC(=O)c1nc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)oc1C ZINC000274894192 483661911 /nfs/dbraw/zinc/66/19/11/483661911.db2.gz MWDGWBZCHZZAMG-UHFFFAOYSA-N -1 0 372.359 -0.642 20 0 FBADRM COc1cc(F)c(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1OC ZINC000274894475 485276144 /nfs/dbraw/zinc/27/61/44/485276144.db2.gz GSTSUNXTXHLASU-SSDOTTSWSA-N -1 0 350.324 -0.550 20 0 FBADRM COc1cc(F)c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1OC ZINC000274894478 485276245 /nfs/dbraw/zinc/27/62/45/485276245.db2.gz GSTSUNXTXHLASU-ZETCQYMHSA-N -1 0 350.324 -0.550 20 0 FBADRM NC(=O)C[C@@H](NS(=O)(=O)CCC(=O)OCc1ccccc1)C(=O)[O-] ZINC000274896036 483662143 /nfs/dbraw/zinc/66/21/43/483662143.db2.gz GYZFPTZNTROLJH-LLVKDONJSA-N -1 0 358.372 -0.632 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)CCC(=O)OCc1ccccc1)C(=O)[O-] ZINC000274896038 483661933 /nfs/dbraw/zinc/66/19/33/483661933.db2.gz GYZFPTZNTROLJH-NSHDSACASA-N -1 0 358.372 -0.632 20 0 FBADRM COC(=O)C1(c2ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc2)CC1 ZINC000274896114 483661692 /nfs/dbraw/zinc/66/16/92/483661692.db2.gz HBHGGOYYBGHRDB-LLVKDONJSA-N -1 0 370.383 -0.502 20 0 FBADRM COC(=O)C1(c2ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc2)CC1 ZINC000274896116 483661905 /nfs/dbraw/zinc/66/19/05/483661905.db2.gz HBHGGOYYBGHRDB-NSHDSACASA-N -1 0 370.383 -0.502 20 0 FBADRM CCCOC(=O)c1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1 ZINC000274898370 483661815 /nfs/dbraw/zinc/66/18/15/483661815.db2.gz HMOIZVYOOGTROX-LLVKDONJSA-N -1 0 358.372 -0.140 20 0 FBADRM CCCOC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1 ZINC000274898371 243959722 /nfs/dbraw/zinc/95/97/22/243959722.db2.gz HMOIZVYOOGTROX-NSHDSACASA-N -1 0 358.372 -0.140 20 0 FBADRM NC(=O)C[C@@H](NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC000274899506 483662146 /nfs/dbraw/zinc/66/21/46/483662146.db2.gz HVOZZOUCPVZACI-SECBINFHSA-N -1 0 359.335 -0.683 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC000274899507 483661755 /nfs/dbraw/zinc/66/17/55/483661755.db2.gz HVOZZOUCPVZACI-VIFPVBQESA-N -1 0 359.335 -0.683 20 0 FBADRM CC(=O)N1CCCc2ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc21 ZINC000274899537 483661995 /nfs/dbraw/zinc/66/19/95/483661995.db2.gz HXKFPXXHLMNLCN-GFCCVEGCSA-N -1 0 369.399 -0.407 20 0 FBADRM CC(=O)N1CCCc2ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc21 ZINC000274899538 483661987 /nfs/dbraw/zinc/66/19/87/483661987.db2.gz HXKFPXXHLMNLCN-LBPRGKRZSA-N -1 0 369.399 -0.407 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCCCCC(=O)[O-])cnc21 ZINC000274900413 483662045 /nfs/dbraw/zinc/66/20/45/483662045.db2.gz HZLMLDUWXVNWOL-UHFFFAOYSA-N -1 0 356.360 -0.433 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000274902423 483661762 /nfs/dbraw/zinc/66/17/62/483661762.db2.gz IHKLNLUJNIXVAZ-JTQLQIEISA-N -1 0 364.401 -0.913 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000274902425 483662204 /nfs/dbraw/zinc/66/22/04/483662204.db2.gz IHKLNLUJNIXVAZ-SNVBAGLBSA-N -1 0 364.401 -0.913 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])CC1 ZINC000274902542 485277372 /nfs/dbraw/zinc/27/73/72/485277372.db2.gz ILRPMMZZXYXETG-GFCCVEGCSA-N -1 0 374.419 -0.485 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])CC1 ZINC000274902544 485277691 /nfs/dbraw/zinc/27/76/91/485277691.db2.gz ILRPMMZZXYXETG-LBPRGKRZSA-N -1 0 374.419 -0.485 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])ccc1Cl ZINC000274904459 483661771 /nfs/dbraw/zinc/66/17/71/483661771.db2.gz IWIGJMASGDPFII-SECBINFHSA-N -1 0 364.763 -0.267 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])ccc1Cl ZINC000274904460 483661949 /nfs/dbraw/zinc/66/19/49/483661949.db2.gz IWIGJMASGDPFII-VIFPVBQESA-N -1 0 364.763 -0.267 20 0 FBADRM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1 ZINC000274904505 483661992 /nfs/dbraw/zinc/66/19/92/483661992.db2.gz IZEQMPFMAHLAPR-SKDRFNHKSA-N -1 0 365.429 -0.181 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000274905274 483662132 /nfs/dbraw/zinc/66/21/32/483662132.db2.gz JCEGCYDGWHNEOD-UHFFFAOYSA-N -1 0 358.372 -0.760 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@H](CCO)C(=O)[O-] ZINC000274905380 483661784 /nfs/dbraw/zinc/66/17/84/483661784.db2.gz JEUIODSNHBQROZ-SNVBAGLBSA-N -1 0 351.402 -0.488 20 0 FBADRM C[C@@H](CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000274907372 243958307 /nfs/dbraw/zinc/95/83/07/243958307.db2.gz JOTWJGUUHGAGSP-JTQLQIEISA-N -1 0 350.418 -0.395 20 0 FBADRM C[C@H](CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000274907374 243958958 /nfs/dbraw/zinc/95/89/58/243958958.db2.gz JOTWJGUUHGAGSP-SNVBAGLBSA-N -1 0 350.418 -0.395 20 0 FBADRM CC1(c2ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc2)OCCO1 ZINC000274907425 483661953 /nfs/dbraw/zinc/66/19/53/483661953.db2.gz JQLODRCQFPCPGZ-UHFFFAOYSA-N -1 0 358.372 -0.615 20 0 FBADRM CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc2C[C@H]1C ZINC000274907456 483662062 /nfs/dbraw/zinc/66/20/62/483662062.db2.gz JRENHCYCANCHEN-PELKAZGASA-N -1 0 369.399 -0.409 20 0 FBADRM CC(=O)N1c2ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc2C[C@H]1C ZINC000274907458 483661750 /nfs/dbraw/zinc/66/17/50/483661750.db2.gz JRENHCYCANCHEN-PRHODGIISA-N -1 0 369.399 -0.409 20 0 FBADRM CC(=O)N1c2ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc2C[C@@H]1C ZINC000274907460 483661753 /nfs/dbraw/zinc/66/17/53/483661753.db2.gz JRENHCYCANCHEN-QPUJVOFHSA-N -1 0 369.399 -0.409 20 0 FBADRM CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc2C[C@@H]1C ZINC000274907462 483662054 /nfs/dbraw/zinc/66/20/54/483662054.db2.gz JRENHCYCANCHEN-UFBFGSQYSA-N -1 0 369.399 -0.409 20 0 FBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000274907487 483662070 /nfs/dbraw/zinc/66/20/70/483662070.db2.gz JSGHCGKQMAETQA-GFCCVEGCSA-N -1 0 370.383 -0.572 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000274908188 483662633 /nfs/dbraw/zinc/66/26/33/483662633.db2.gz SKQDDWGFLKCLMB-UHFFFAOYSA-N -1 0 371.444 -0.243 20 0 FBADRM NC(=O)C[C@@H](NS(=O)(=O)c1ccc(OCC(F)F)cc1)C(=O)[O-] ZINC000274909194 483662767 /nfs/dbraw/zinc/66/27/67/483662767.db2.gz KFBJMYOMLIETFU-SECBINFHSA-N -1 0 352.315 -0.063 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)c1ccc(OCC(F)F)cc1)C(=O)[O-] ZINC000274909195 483662706 /nfs/dbraw/zinc/66/27/06/483662706.db2.gz KFBJMYOMLIETFU-VIFPVBQESA-N -1 0 352.315 -0.063 20 0 FBADRM CN(Cc1c(F)cccc1Cl)S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000274911020 483662593 /nfs/dbraw/zinc/66/25/93/483662593.db2.gz KPKMKQFQFLYZCX-UHFFFAOYSA-N -1 0 367.786 -0.054 20 0 FBADRM COC(=O)c1cc(OC)c(S(=O)(=O)N[C@H](CCO)C(=O)[O-])s1 ZINC000274911040 483662653 /nfs/dbraw/zinc/66/26/53/483662653.db2.gz KQGJRZXTJUQYDK-ZCFIWIBFSA-N -1 0 353.374 -0.343 20 0 FBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000274912771 483662769 /nfs/dbraw/zinc/66/27/69/483662769.db2.gz LBGPVKGBZALVET-BXKDBHETSA-N -1 0 363.363 -0.035 20 0 FBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000274912772 243960379 /nfs/dbraw/zinc/96/03/79/243960379.db2.gz LBGPVKGBZALVET-CABZTGNLSA-N -1 0 363.363 -0.035 20 0 FBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000274912773 483662568 /nfs/dbraw/zinc/66/25/68/483662568.db2.gz LBGPVKGBZALVET-JOYOIKCWSA-N -1 0 363.363 -0.035 20 0 FBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000274912774 483662765 /nfs/dbraw/zinc/66/27/65/483662765.db2.gz LBGPVKGBZALVET-SKDRFNHKSA-N -1 0 363.363 -0.035 20 0 FBADRM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])ccc2O1 ZINC000274913788 483662450 /nfs/dbraw/zinc/66/24/50/483662450.db2.gz LGHGYZBXRLCGGV-DGCLKSJQSA-N -1 0 373.383 -0.333 20 0 FBADRM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])ccc2O1 ZINC000274913790 483662630 /nfs/dbraw/zinc/66/26/30/483662630.db2.gz LGHGYZBXRLCGGV-YPMHNXCESA-N -1 0 373.383 -0.333 20 0 FBADRM COC(=O)c1cc(C)c(C)c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000274914656 483662445 /nfs/dbraw/zinc/66/24/45/483662445.db2.gz LJWIGJVQBGDZJS-JTQLQIEISA-N -1 0 358.372 -0.303 20 0 FBADRM COC(=O)c1cc(C)c(C)c(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000274914657 483662441 /nfs/dbraw/zinc/66/24/41/483662441.db2.gz LJWIGJVQBGDZJS-SNVBAGLBSA-N -1 0 358.372 -0.303 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCC[C@H](O)C(=O)[O-] ZINC000274915615 243959426 /nfs/dbraw/zinc/95/94/26/243959426.db2.gz LPEGDTCPKDREIZ-JTQLQIEISA-N -1 0 351.402 -0.488 20 0 FBADRM CCOCCOc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1 ZINC000274916715 483662438 /nfs/dbraw/zinc/66/24/38/483662438.db2.gz LVIGNJQMVHPITA-GFCCVEGCSA-N -1 0 360.388 -0.291 20 0 FBADRM CCOCCOc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1 ZINC000274916717 243958665 /nfs/dbraw/zinc/95/86/65/243958665.db2.gz LVIGNJQMVHPITA-LBPRGKRZSA-N -1 0 360.388 -0.291 20 0 FBADRM CCC(=O)NCc1cc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])ccc1OC ZINC000274918385 483662539 /nfs/dbraw/zinc/66/25/39/483662539.db2.gz MGLSXXXTLQVTOA-GFCCVEGCSA-N -1 0 374.415 -0.165 20 0 FBADRM COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000274918489 485277664 /nfs/dbraw/zinc/27/76/64/485277664.db2.gz MJYAHKLWIUNOAT-MRVPVSSYSA-N -1 0 364.763 -0.267 20 0 FBADRM COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000274918491 485277514 /nfs/dbraw/zinc/27/75/14/485277514.db2.gz MJYAHKLWIUNOAT-QMMMGPOBSA-N -1 0 364.763 -0.267 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)cc1 ZINC000274918690 485277201 /nfs/dbraw/zinc/27/72/01/485277201.db2.gz ALVZXRGPRIFQCL-NXEZZACHSA-N -1 0 360.413 -0.098 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)cc1 ZINC000274918693 485277438 /nfs/dbraw/zinc/27/74/38/485277438.db2.gz ALVZXRGPRIFQCL-UWVGGRQHSA-N -1 0 360.413 -0.098 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)cc1 ZINC000274918696 243963817 /nfs/dbraw/zinc/96/38/17/243963817.db2.gz ALVZXRGPRIFQCL-VHSXEESVSA-N -1 0 360.413 -0.098 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)cc1 ZINC000274918699 485277120 /nfs/dbraw/zinc/27/71/20/485277120.db2.gz ALVZXRGPRIFQCL-ZJUUUORDSA-N -1 0 360.413 -0.098 20 0 FBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)[O-] ZINC000274919536 483662491 /nfs/dbraw/zinc/66/24/91/483662491.db2.gz MQRAAICTJRALPR-KBUNVGBDSA-N -1 0 366.779 -0.684 20 0 FBADRM CC[C@@](C)(CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000274920280 483662466 /nfs/dbraw/zinc/66/24/66/483662466.db2.gz BCPGCBPCDIGFIO-AWEZNQCLSA-N -1 0 370.387 -0.187 20 0 FBADRM CC[C@](C)(CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000274920282 483662551 /nfs/dbraw/zinc/66/25/51/483662551.db2.gz BCPGCBPCDIGFIO-CQSZACIVSA-N -1 0 370.387 -0.187 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000274920593 485277194 /nfs/dbraw/zinc/27/71/94/485277194.db2.gz MURDUROYJSPHNN-GHMZBOCLSA-N -1 0 360.392 -0.733 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000274920597 485277396 /nfs/dbraw/zinc/27/73/96/485277396.db2.gz MURDUROYJSPHNN-MNOVXSKESA-N -1 0 360.392 -0.733 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000274920601 485277053 /nfs/dbraw/zinc/27/70/53/485277053.db2.gz MURDUROYJSPHNN-QWRGUYRKSA-N -1 0 360.392 -0.733 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000274920604 485277353 /nfs/dbraw/zinc/27/73/53/485277353.db2.gz MURDUROYJSPHNN-WDEREUQCSA-N -1 0 360.392 -0.733 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2ccc3c(c2)OCO3)C1 ZINC000274921841 483662536 /nfs/dbraw/zinc/66/25/36/483662536.db2.gz BKFFCVOXWRVWDZ-SECBINFHSA-N -1 0 356.356 -0.373 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2ccc3c(c2)OCO3)C1 ZINC000274921843 483662763 /nfs/dbraw/zinc/66/27/63/483662763.db2.gz BKFFCVOXWRVWDZ-VIFPVBQESA-N -1 0 356.356 -0.373 20 0 FBADRM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c1 ZINC000274922767 483662368 /nfs/dbraw/zinc/66/23/68/483662368.db2.gz NDZJZGCQMGSYTF-JTQLQIEISA-N -1 0 365.429 -0.179 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])ccc1F ZINC000274922774 483662721 /nfs/dbraw/zinc/66/27/21/483662721.db2.gz NEKQDOIFQZOXCO-VIFPVBQESA-N -1 0 355.365 -0.657 20 0 FBADRM CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1 ZINC000274922801 243962963 /nfs/dbraw/zinc/96/29/63/243962963.db2.gz NGGQYYMVHCTAQW-GFCCVEGCSA-N -1 0 371.415 -0.225 20 0 FBADRM CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1 ZINC000274922802 243963678 /nfs/dbraw/zinc/96/36/78/243963678.db2.gz NGGQYYMVHCTAQW-LBPRGKRZSA-N -1 0 371.415 -0.225 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c(Br)o1 ZINC000274922808 483662701 /nfs/dbraw/zinc/66/27/01/483662701.db2.gz NGOSCUOHABHPBV-BYPYZUCNSA-N -1 0 372.149 -0.448 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c(Br)o1 ZINC000274922809 483662375 /nfs/dbraw/zinc/66/23/75/483662375.db2.gz NGOSCUOHABHPBV-SCSAIBSYSA-N -1 0 372.149 -0.448 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])ccc1F ZINC000274922858 483662685 /nfs/dbraw/zinc/66/26/85/483662685.db2.gz NIVUSSHNBCWUPM-SECBINFHSA-N -1 0 355.365 -0.657 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cc1F ZINC000274923839 483662589 /nfs/dbraw/zinc/66/25/89/483662589.db2.gz NJCUSHKQCNSHPZ-VIFPVBQESA-N -1 0 355.365 -0.657 20 0 FBADRM COC(=O)Cc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])s1 ZINC000274923946 483662519 /nfs/dbraw/zinc/66/25/19/483662519.db2.gz NKTGSJKXJNXQFP-SSDOTTSWSA-N -1 0 350.374 -0.930 20 0 FBADRM COC(=O)Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])s1 ZINC000274923948 483662373 /nfs/dbraw/zinc/66/23/73/483662373.db2.gz NKTGSJKXJNXQFP-ZETCQYMHSA-N -1 0 350.374 -0.930 20 0 FBADRM COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000274924017 483662434 /nfs/dbraw/zinc/66/24/34/483662434.db2.gz NNIFODFBEWVSLF-MRVPVSSYSA-N -1 0 364.763 -0.267 20 0 FBADRM COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000274924019 483662575 /nfs/dbraw/zinc/66/25/75/483662575.db2.gz NNIFODFBEWVSLF-QMMMGPOBSA-N -1 0 364.763 -0.267 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cc1 ZINC000274924922 483662370 /nfs/dbraw/zinc/66/23/70/483662370.db2.gz NRIQADKBHKQSDP-NSHDSACASA-N -1 0 366.417 -0.949 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000274925468 483662571 /nfs/dbraw/zinc/66/25/71/483662571.db2.gz BXFYCUQAJKNOHE-LLVKDONJSA-N -1 0 358.420 -0.250 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000274925470 483662380 /nfs/dbraw/zinc/66/23/80/483662380.db2.gz BXFYCUQAJKNOHE-NSHDSACASA-N -1 0 358.420 -0.250 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000274926031 483662554 /nfs/dbraw/zinc/66/25/54/483662554.db2.gz NVYRNYYADHAUAV-SECBINFHSA-N -1 0 357.348 -0.716 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000274926034 483662662 /nfs/dbraw/zinc/66/26/62/483662662.db2.gz NVYRNYYADHAUAV-VIFPVBQESA-N -1 0 357.348 -0.716 20 0 FBADRM CCC(=O)NCc1cc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])ccc1OC ZINC000274927125 483662603 /nfs/dbraw/zinc/66/26/03/483662603.db2.gz OAAXDFNDPRREGM-LBPRGKRZSA-N -1 0 374.415 -0.165 20 0 FBADRM O=C([O-])C1(CNS(=O)(=O)c2ccc(-n3cnnn3)cc2)CCOCC1 ZINC000274927365 483662643 /nfs/dbraw/zinc/66/26/43/483662643.db2.gz CGGBDPYDUICXNC-UHFFFAOYSA-N -1 0 367.387 -0.178 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)o1 ZINC000274927452 243962754 /nfs/dbraw/zinc/96/27/54/243962754.db2.gz CINMCPAEPIKAPV-MRVPVSSYSA-N -1 0 360.344 -0.722 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)o1 ZINC000274927454 483662403 /nfs/dbraw/zinc/66/24/03/483662403.db2.gz CINMCPAEPIKAPV-QMMMGPOBSA-N -1 0 360.344 -0.722 20 0 FBADRM C[C@H](O)[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000274928064 483663294 /nfs/dbraw/zinc/66/32/94/483663294.db2.gz OGHDPKOWBZSQPN-JOYOIKCWSA-N -1 0 370.383 -0.574 20 0 FBADRM C[C@@H](O)[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000274928067 483662969 /nfs/dbraw/zinc/66/29/69/483662969.db2.gz OGHDPKOWBZSQPN-SKDRFNHKSA-N -1 0 370.383 -0.574 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cc(F)c1F ZINC000274928120 483663314 /nfs/dbraw/zinc/66/33/14/483663314.db2.gz OHNNQMUFPAJROR-VIFPVBQESA-N -1 0 353.299 -0.135 20 0 FBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000274928139 483663042 /nfs/dbraw/zinc/66/30/42/483663042.db2.gz OIGBHIMPYRWUEZ-LLVKDONJSA-N -1 0 356.356 -0.962 20 0 FBADRM O=C([O-])[C@H](CO)NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000274928141 483663023 /nfs/dbraw/zinc/66/30/23/483663023.db2.gz OIGBHIMPYRWUEZ-NSHDSACASA-N -1 0 356.356 -0.962 20 0 FBADRM COc1ccc(C(=O)NCCNC(=O)CSc2n[nH]c(=O)[n-]2)cc1 ZINC000274928660 483663298 /nfs/dbraw/zinc/66/32/98/483663298.db2.gz CMJXUPVLRXHNOV-UHFFFAOYSA-N -1 0 351.388 -0.255 20 0 FBADRM COc1ccc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)c(OC)c1 ZINC000274928713 243963095 /nfs/dbraw/zinc/96/30/95/243963095.db2.gz COAVLLDVJZEGOW-JTQLQIEISA-N -1 0 372.399 -0.085 20 0 FBADRM COc1ccc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)c(OC)c1 ZINC000274928715 483662964 /nfs/dbraw/zinc/66/29/64/483662964.db2.gz COAVLLDVJZEGOW-SNVBAGLBSA-N -1 0 372.399 -0.085 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)Nc1ccc(C(=O)[O-])cc1O ZINC000274929314 483662897 /nfs/dbraw/zinc/66/28/97/483662897.db2.gz OPJHNXHICSZBIF-UHFFFAOYSA-N -1 0 352.390 -0.229 20 0 FBADRM CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000274930741 483663159 /nfs/dbraw/zinc/66/31/59/483663159.db2.gz DDDKIQHIRUOZHP-UHFFFAOYSA-N -1 0 369.428 -0.313 20 0 FBADRM CCC(=O)NCc1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)ccc1OC ZINC000274931423 483663240 /nfs/dbraw/zinc/66/32/40/483663240.db2.gz PBLWFOSPXOLEMH-OTYXRUKQSA-N -1 0 374.415 -0.166 20 0 FBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000274932791 483663081 /nfs/dbraw/zinc/66/30/81/483663081.db2.gz PKEZOTZBFSWHRS-LDWIPMOCSA-N -1 0 355.365 -0.659 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC000274933972 483663355 /nfs/dbraw/zinc/66/33/55/483663355.db2.gz DSHVIMMMRNNLGP-NXEZZACHSA-N -1 0 357.436 -0.420 20 0 FBADRM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC000274933973 483663338 /nfs/dbraw/zinc/66/33/38/483663338.db2.gz DSHVIMMMRNNLGP-UWVGGRQHSA-N -1 0 357.436 -0.420 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC000274933974 483663268 /nfs/dbraw/zinc/66/32/68/483663268.db2.gz DSHVIMMMRNNLGP-VHSXEESVSA-N -1 0 357.436 -0.420 20 0 FBADRM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC000274933975 483662973 /nfs/dbraw/zinc/66/29/73/483662973.db2.gz DSHVIMMMRNNLGP-ZJUUUORDSA-N -1 0 357.436 -0.420 20 0 FBADRM COCCN(C)S(=O)(=O)N[C@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-] ZINC000274934038 483663330 /nfs/dbraw/zinc/66/33/30/483663330.db2.gz DVCJYUIOLBNGTR-MRVPVSSYSA-N -1 0 374.341 -0.232 20 0 FBADRM COCCN(C)S(=O)(=O)N[C@@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-] ZINC000274934039 483663234 /nfs/dbraw/zinc/66/32/34/483663234.db2.gz DVCJYUIOLBNGTR-QMMMGPOBSA-N -1 0 374.341 -0.232 20 0 FBADRM COCCN(C)S(=O)(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)[O-] ZINC000274936010 483663186 /nfs/dbraw/zinc/66/31/86/483663186.db2.gz PYTNCBLRSCWESS-ZDUSSCGKSA-N -1 0 374.415 -0.014 20 0 FBADRM CCC(=O)C[C@@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000274936743 243961566 /nfs/dbraw/zinc/96/15/66/243961566.db2.gz DLOFYXLQCDULQO-GFCCVEGCSA-N -1 0 353.360 -0.237 20 0 FBADRM CCC(=O)C[C@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000274936744 483663320 /nfs/dbraw/zinc/66/33/20/483663320.db2.gz DLOFYXLQCDULQO-LBPRGKRZSA-N -1 0 353.360 -0.237 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000274937314 483663121 /nfs/dbraw/zinc/66/31/21/483663121.db2.gz FQMFTMXSHOCUFW-MRVPVSSYSA-N -1 0 360.344 -0.722 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000274937316 243961970 /nfs/dbraw/zinc/96/19/70/243961970.db2.gz FQMFTMXSHOCUFW-QMMMGPOBSA-N -1 0 360.344 -0.722 20 0 FBADRM CCC(=O)C[C@@H](NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1)C(=O)[O-] ZINC000274940157 483663275 /nfs/dbraw/zinc/66/32/75/483663275.db2.gz FAKANDAAWJLMGL-LLVKDONJSA-N -1 0 358.372 -0.105 20 0 FBADRM CCC(=O)C[C@H](NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1)C(=O)[O-] ZINC000274940162 483662958 /nfs/dbraw/zinc/66/29/58/483662958.db2.gz FAKANDAAWJLMGL-NSHDSACASA-N -1 0 358.372 -0.105 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c(Cl)s1 ZINC000274940340 483662922 /nfs/dbraw/zinc/66/29/22/483662922.db2.gz QUGSFVQAVFINBC-BYPYZUCNSA-N -1 0 363.822 -0.471 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c(Cl)s1 ZINC000274940346 483663138 /nfs/dbraw/zinc/66/31/38/483663138.db2.gz QUGSFVQAVFINBC-SCSAIBSYSA-N -1 0 363.822 -0.471 20 0 FBADRM CCOc1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])cn1 ZINC000274940750 535399048 /nfs/dbraw/zinc/39/90/48/535399048.db2.gz GFHSHIKRBOWOIA-GFCCVEGCSA-N -1 0 359.404 -0.456 20 0 FBADRM CCOc1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])cn1 ZINC000274940751 483663251 /nfs/dbraw/zinc/66/32/51/483663251.db2.gz GFHSHIKRBOWOIA-LBPRGKRZSA-N -1 0 359.404 -0.456 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])cc1 ZINC000274942076 483663210 /nfs/dbraw/zinc/66/32/10/483663210.db2.gz GNLIQIMILFQQEM-CYBMUJFWSA-N -1 0 372.399 -0.463 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])cc1 ZINC000274942077 243963789 /nfs/dbraw/zinc/96/37/89/243963789.db2.gz GNLIQIMILFQQEM-ZDUSSCGKSA-N -1 0 372.399 -0.463 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c1 ZINC000274942803 243962559 /nfs/dbraw/zinc/96/25/59/243962559.db2.gz REOQNRNYGGSOEE-LLVKDONJSA-N -1 0 366.417 -0.949 20 0 FBADRM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000274943047 483663345 /nfs/dbraw/zinc/66/33/45/483663345.db2.gz GFQWLAFDOKUWDS-UHFFFAOYSA-N -1 0 363.403 -0.302 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)NCCSCC(=O)[O-])cc1 ZINC000274944110 243963233 /nfs/dbraw/zinc/96/32/33/243963233.db2.gz FOPQLCWTPKXFNH-UHFFFAOYSA-N -1 0 368.458 -0.309 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1Cl ZINC000274945411 483663264 /nfs/dbraw/zinc/66/32/64/483663264.db2.gz RPTQWVBZGWVWKZ-SECBINFHSA-N -1 0 364.763 -0.267 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1Cl ZINC000274945413 483663341 /nfs/dbraw/zinc/66/33/41/483663341.db2.gz RPTQWVBZGWVWKZ-VIFPVBQESA-N -1 0 364.763 -0.267 20 0 FBADRM COc1ccccc1-n1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cn1 ZINC000274947924 483663358 /nfs/dbraw/zinc/66/33/58/483663358.db2.gz RZOPWXVNGNUEGA-RNCFNFMXSA-N -1 0 355.372 -0.007 20 0 FBADRM COc1ccccc1-n1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)cn1 ZINC000274947927 483662928 /nfs/dbraw/zinc/66/29/28/483662928.db2.gz RZOPWXVNGNUEGA-TVQRCGJNSA-N -1 0 355.372 -0.007 20 0 FBADRM COc1ccccc1-n1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)cn1 ZINC000274947929 483663182 /nfs/dbraw/zinc/66/31/82/483663182.db2.gz RZOPWXVNGNUEGA-ZANVPECISA-N -1 0 355.372 -0.007 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc(F)c1F ZINC000274947950 483662979 /nfs/dbraw/zinc/66/29/79/483662979.db2.gz SAILDGAWNSZGHF-FWOIEVBISA-N -1 0 353.299 -0.136 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)cc(F)c1F ZINC000274947954 483663352 /nfs/dbraw/zinc/66/33/52/483663352.db2.gz SAILDGAWNSZGHF-RRAGMBSWSA-N -1 0 353.299 -0.136 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)cc(F)c1F ZINC000274947956 483663011 /nfs/dbraw/zinc/66/30/11/483663011.db2.gz SAILDGAWNSZGHF-XUOSJQGZSA-N -1 0 353.299 -0.136 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000274948194 483662936 /nfs/dbraw/zinc/66/29/36/483662936.db2.gz SEBMFYFTTLAGNQ-UHFFFAOYSA-N -1 0 350.418 -0.005 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1F ZINC000274949365 483663077 /nfs/dbraw/zinc/66/30/77/483663077.db2.gz AEBLUFCMBIYQTE-JTQLQIEISA-N -1 0 367.376 -0.293 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1F ZINC000274949369 483663938 /nfs/dbraw/zinc/66/39/38/483663938.db2.gz AEBLUFCMBIYQTE-SNVBAGLBSA-N -1 0 367.376 -0.293 20 0 FBADRM COCCN(CCOC)S(=O)(=O)NCc1nc(C(=O)[O-])cs1 ZINC000274950455 483663757 /nfs/dbraw/zinc/66/37/57/483663757.db2.gz HTPYZKMWADDEBX-UHFFFAOYSA-N -1 0 353.422 -0.230 20 0 FBADRM Nc1ncc(Cl)cc1S(=O)(=O)N[C@H](CN1CCOCC1)C(=O)[O-] ZINC000274950487 243966110 /nfs/dbraw/zinc/96/61/10/243966110.db2.gz HUGUSFWDKLDKOE-SECBINFHSA-N -1 0 364.811 -0.619 20 0 FBADRM Nc1ncc(Cl)cc1S(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)[O-] ZINC000274950489 483663767 /nfs/dbraw/zinc/66/37/67/483663767.db2.gz HUGUSFWDKLDKOE-VIFPVBQESA-N -1 0 364.811 -0.619 20 0 FBADRM COc1ccnc(N2CCN(C(=O)CSc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000274951516 483663836 /nfs/dbraw/zinc/66/38/36/483663836.db2.gz IHOISCLSZMURBP-UHFFFAOYSA-N -1 0 351.392 -0.663 20 0 FBADRM CN(C)c1noc(CCC(=O)Nc2nnc([N-]S(C)(=O)=O)s2)n1 ZINC000274952191 483663875 /nfs/dbraw/zinc/66/38/75/483663875.db2.gz HZLRGIBIKGGLOZ-UHFFFAOYSA-N -1 0 361.409 -0.070 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1 ZINC000274953547 483663937 /nfs/dbraw/zinc/66/39/37/483663937.db2.gz TWSBRLRISPLZEO-KCJUWKMLSA-N -1 0 351.402 -0.408 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c1 ZINC000274953569 483663793 /nfs/dbraw/zinc/66/37/93/483663793.db2.gz TXMDCCUVNLWXBD-NSHDSACASA-N -1 0 351.402 -0.406 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])cc1 ZINC000274953821 485277323 /nfs/dbraw/zinc/27/73/23/485277323.db2.gz IGPBLIKMYHMJLH-JTQLQIEISA-N -1 0 366.442 -0.257 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])cc1 ZINC000274953823 485277180 /nfs/dbraw/zinc/27/71/80/485277180.db2.gz IGPBLIKMYHMJLH-SNVBAGLBSA-N -1 0 366.442 -0.257 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c1 ZINC000274955113 243965037 /nfs/dbraw/zinc/96/50/37/243965037.db2.gz UARAHIBAQNOFBT-LLVKDONJSA-N -1 0 351.402 -0.406 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c1 ZINC000274955130 483663898 /nfs/dbraw/zinc/66/38/98/483663898.db2.gz UBNBLNDNJWNNMA-NSHDSACASA-N -1 0 366.417 -0.949 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(F)cc1F ZINC000274955380 483663524 /nfs/dbraw/zinc/66/35/24/483663524.db2.gz AVQIUGHMUDJTNE-SECBINFHSA-N -1 0 355.340 -0.163 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(F)cc1F ZINC000274955383 483663570 /nfs/dbraw/zinc/66/35/70/483663570.db2.gz AVQIUGHMUDJTNE-VIFPVBQESA-N -1 0 355.340 -0.163 20 0 FBADRM CCn1nc(C)c(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)c1C ZINC000274957019 483663694 /nfs/dbraw/zinc/66/36/94/483663694.db2.gz IQKCHWBICITZDA-LLVKDONJSA-N -1 0 358.420 -0.269 20 0 FBADRM CCn1nc(C)c(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)c1C ZINC000274957020 536143017 /nfs/dbraw/zinc/14/30/17/536143017.db2.gz IQKCHWBICITZDA-NSHDSACASA-N -1 0 358.420 -0.269 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)cnc21 ZINC000274957566 483663858 /nfs/dbraw/zinc/66/38/58/483663858.db2.gz ULBIWDMTKRLARF-SECBINFHSA-N -1 0 370.387 -0.188 20 0 FBADRM CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1F ZINC000274957845 483663511 /nfs/dbraw/zinc/66/35/11/483663511.db2.gz UOAJVIKEZIYKPQ-JTQLQIEISA-N -1 0 370.380 -0.689 20 0 FBADRM CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1F ZINC000274957849 483663852 /nfs/dbraw/zinc/66/38/52/483663852.db2.gz UOAJVIKEZIYKPQ-SNVBAGLBSA-N -1 0 370.380 -0.689 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000274958011 243965457 /nfs/dbraw/zinc/96/54/57/243965457.db2.gz UQZRWUJADSYFES-UHFFFAOYSA-N -1 0 350.418 -0.005 20 0 FBADRM Nc1ncc(Cl)cc1S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000274958612 483663505 /nfs/dbraw/zinc/66/35/05/483663505.db2.gz IUWKJWUYUFEGFW-SSDOTTSWSA-N -1 0 362.795 -0.471 20 0 FBADRM Nc1ncc(Cl)cc1S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000274958615 483663666 /nfs/dbraw/zinc/66/36/66/483663666.db2.gz IUWKJWUYUFEGFW-ZETCQYMHSA-N -1 0 362.795 -0.471 20 0 FBADRM C[C@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-] ZINC000274959381 483663851 /nfs/dbraw/zinc/66/38/51/483663851.db2.gz UUWHTSDFBFKODT-SECBINFHSA-N -1 0 350.418 -0.064 20 0 FBADRM C[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-] ZINC000274959384 243965320 /nfs/dbraw/zinc/96/53/20/243965320.db2.gz UUWHTSDFBFKODT-VIFPVBQESA-N -1 0 350.418 -0.064 20 0 FBADRM COC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000274959414 483663699 /nfs/dbraw/zinc/66/36/99/483663699.db2.gz UVHNKGBLJYKVHD-MRVPVSSYSA-N -1 0 360.344 -0.911 20 0 FBADRM COC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000274959417 483663895 /nfs/dbraw/zinc/66/38/95/483663895.db2.gz UVHNKGBLJYKVHD-QMMMGPOBSA-N -1 0 360.344 -0.911 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)Nc1cccc(C(=O)[O-])c1O ZINC000274959526 483663927 /nfs/dbraw/zinc/66/39/27/483663927.db2.gz UWGLODPBCQKLHM-UHFFFAOYSA-N -1 0 352.390 -0.229 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1noc2ccccc21 ZINC000274959620 483663662 /nfs/dbraw/zinc/66/36/62/483663662.db2.gz BGHMFYZZAAFESX-LLVKDONJSA-N -1 0 374.396 -0.159 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1noc2ccccc21 ZINC000274959623 243965825 /nfs/dbraw/zinc/96/58/25/243965825.db2.gz BGHMFYZZAAFESX-NSHDSACASA-N -1 0 374.396 -0.159 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)cc1 ZINC000274959736 483663603 /nfs/dbraw/zinc/66/36/03/483663603.db2.gz BHMMNOKAPXGEME-GWCFXTLKSA-N -1 0 369.399 -0.016 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)cc1 ZINC000274959739 483663774 /nfs/dbraw/zinc/66/37/74/483663774.db2.gz BHMMNOKAPXGEME-GXFFZTMASA-N -1 0 369.399 -0.016 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)cc1 ZINC000274959742 483663540 /nfs/dbraw/zinc/66/35/40/483663540.db2.gz BHMMNOKAPXGEME-MFKMUULPSA-N -1 0 369.399 -0.016 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)cc1 ZINC000274959745 483663819 /nfs/dbraw/zinc/66/38/19/483663819.db2.gz BHMMNOKAPXGEME-ZWNOBZJWSA-N -1 0 369.399 -0.016 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NCc1nc(C(=O)[O-])cs1 ZINC000274960458 243964473 /nfs/dbraw/zinc/96/44/73/243964473.db2.gz JCPOOZCSECITSS-UHFFFAOYSA-N -1 0 357.435 -0.800 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)oc1C ZINC000274960485 483663739 /nfs/dbraw/zinc/66/37/39/483663739.db2.gz JDYMEZWHIZGVGH-SECBINFHSA-N -1 0 374.371 -0.414 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)oc1C ZINC000274960486 483663675 /nfs/dbraw/zinc/66/36/75/483663675.db2.gz JDYMEZWHIZGVGH-VIFPVBQESA-N -1 0 374.371 -0.414 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c(=O)n(C)c1=O ZINC000274960597 483663534 /nfs/dbraw/zinc/66/35/34/483663534.db2.gz HREOORRHNFJVHN-SECBINFHSA-N -1 0 361.420 -0.358 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c(=O)n(C)c1=O ZINC000274960598 243965193 /nfs/dbraw/zinc/96/51/93/243965193.db2.gz HREOORRHNFJVHN-VIFPVBQESA-N -1 0 361.420 -0.358 20 0 FBADRM COC(=O)c1cc(OC)c(S(=O)(=O)NCC[C@H](O)C(=O)[O-])s1 ZINC000274960737 483663607 /nfs/dbraw/zinc/66/36/07/483663607.db2.gz UYNWUDKTGNJAHO-LURJTMIESA-N -1 0 353.374 -0.343 20 0 FBADRM O=C([O-])[C@H](CC(=O)OCc1ccccc1)NS(=O)(=O)N1CCOCC1 ZINC000274960851 483663520 /nfs/dbraw/zinc/66/35/20/483663520.db2.gz UZKSDROHWRIUHZ-ZDUSSCGKSA-N -1 0 372.399 -0.260 20 0 FBADRM O=C([O-])C1(CNS(=O)(=O)c2cccc(-n3cnnn3)c2)CCOCC1 ZINC000274961770 243964861 /nfs/dbraw/zinc/96/48/61/243964861.db2.gz JFCKGWAKCPZFGN-UHFFFAOYSA-N -1 0 367.387 -0.178 20 0 FBADRM COc1ccc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)cc1C(N)=O ZINC000274962020 485277420 /nfs/dbraw/zinc/27/74/20/485277420.db2.gz JIZAGDQUICQQLD-UHFFFAOYSA-N -1 0 372.399 -0.046 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cn1C ZINC000274962796 483663985 /nfs/dbraw/zinc/66/39/85/483663985.db2.gz VHOBUCWPSDWYCG-LLVKDONJSA-N -1 0 370.387 -0.101 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cn1C ZINC000274962800 483663723 /nfs/dbraw/zinc/66/37/23/483663723.db2.gz VHOBUCWPSDWYCG-NSHDSACASA-N -1 0 370.387 -0.101 20 0 FBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000274964090 485277645 /nfs/dbraw/zinc/27/76/45/485277645.db2.gz BQAVYMFKNPCKHV-SECBINFHSA-N -1 0 373.412 -0.175 20 0 FBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000274964092 485277328 /nfs/dbraw/zinc/27/73/28/485277328.db2.gz BQAVYMFKNPCKHV-VIFPVBQESA-N -1 0 373.412 -0.175 20 0 FBADRM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NS(=O)(=O)N1CCOCC1 ZINC000274965055 483663588 /nfs/dbraw/zinc/66/35/88/483663588.db2.gz JQOJUFFRZZTJHM-MRVPVSSYSA-N -1 0 372.325 -0.478 20 0 FBADRM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NS(=O)(=O)N1CCOCC1 ZINC000274965056 483663712 /nfs/dbraw/zinc/66/37/12/483663712.db2.gz JQOJUFFRZZTJHM-QMMMGPOBSA-N -1 0 372.325 -0.478 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])c1 ZINC000274965123 483663704 /nfs/dbraw/zinc/66/37/04/483663704.db2.gz JTABBOLIHNMTRB-GFCCVEGCSA-N -1 0 360.436 -0.397 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])c1 ZINC000274965126 483663617 /nfs/dbraw/zinc/66/36/17/483663617.db2.gz JTABBOLIHNMTRB-LBPRGKRZSA-N -1 0 360.436 -0.397 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(C)(C)C)c(=O)n(C)c1=O ZINC000274965153 483663493 /nfs/dbraw/zinc/66/34/93/483663493.db2.gz JTTRMCJAFWOKSB-SECBINFHSA-N -1 0 361.420 -0.501 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(C)(C)C)c(=O)n(C)c1=O ZINC000274965155 483663842 /nfs/dbraw/zinc/66/38/42/483663842.db2.gz JTTRMCJAFWOKSB-VIFPVBQESA-N -1 0 361.420 -0.501 20 0 FBADRM Cn1cnc(S(=O)(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1 ZINC000274965969 243965215 /nfs/dbraw/zinc/96/52/15/243965215.db2.gz BVBZJCNNNNWPJY-JTQLQIEISA-N -1 0 356.404 -0.494 20 0 FBADRM Cn1cnc(S(=O)(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1 ZINC000274965977 243965137 /nfs/dbraw/zinc/96/51/37/243965137.db2.gz BVBZJCNNNNWPJY-SNVBAGLBSA-N -1 0 356.404 -0.494 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)cn1C ZINC000274968230 485277262 /nfs/dbraw/zinc/27/72/62/485277262.db2.gz KBWOTEWYNPOXDO-UHFFFAOYSA-N -1 0 359.404 -0.456 20 0 FBADRM CCC(=O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)[O-] ZINC000274968503 483663644 /nfs/dbraw/zinc/66/36/44/483663644.db2.gz IMCLYSWTGKICBN-LLVKDONJSA-N -1 0 369.399 -0.022 20 0 FBADRM CCC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)[O-] ZINC000274968506 243966455 /nfs/dbraw/zinc/96/64/55/243966455.db2.gz IMCLYSWTGKICBN-NSHDSACASA-N -1 0 369.399 -0.022 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cc(F)c1F ZINC000274970730 483663941 /nfs/dbraw/zinc/66/39/41/483663941.db2.gz WHXLRDNERKIBBN-SECBINFHSA-N -1 0 353.299 -0.135 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC000274971718 243966022 /nfs/dbraw/zinc/96/60/22/243966022.db2.gz KNWUQRWEVUSLLR-GHMZBOCLSA-N -1 0 372.403 -0.944 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC000274971722 483663486 /nfs/dbraw/zinc/66/34/86/483663486.db2.gz KNWUQRWEVUSLLR-MNOVXSKESA-N -1 0 372.403 -0.944 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC000274971725 483663598 /nfs/dbraw/zinc/66/35/98/483663598.db2.gz KNWUQRWEVUSLLR-QWRGUYRKSA-N -1 0 372.403 -0.944 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC000274971729 483663649 /nfs/dbraw/zinc/66/36/49/483663649.db2.gz KNWUQRWEVUSLLR-WDEREUQCSA-N -1 0 372.403 -0.944 20 0 FBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000274973462 483663885 /nfs/dbraw/zinc/66/38/85/483663885.db2.gz KTNVNFRTEJUJBG-MRVPVSSYSA-N -1 0 364.811 -0.407 20 0 FBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000274973464 483663668 /nfs/dbraw/zinc/66/36/68/483663668.db2.gz KTNVNFRTEJUJBG-QMMMGPOBSA-N -1 0 364.811 -0.407 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c[nH]1 ZINC000274973889 483663550 /nfs/dbraw/zinc/66/35/50/483663550.db2.gz CQHFVNKLSDFCCB-JTQLQIEISA-N -1 0 356.404 -0.196 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c[nH]1 ZINC000274973890 483663764 /nfs/dbraw/zinc/66/37/64/483663764.db2.gz CQHFVNKLSDFCCB-SNVBAGLBSA-N -1 0 356.404 -0.196 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c(C(=O)OC)s1 ZINC000274974333 483664584 /nfs/dbraw/zinc/66/45/84/483664584.db2.gz WQYDOLWYOFMXBY-RXMQYKEDSA-N -1 0 367.357 -0.955 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c(C(=O)OC)s1 ZINC000274974334 483664516 /nfs/dbraw/zinc/66/45/16/483664516.db2.gz WQYDOLWYOFMXBY-YFKPBYRVSA-N -1 0 367.357 -0.955 20 0 FBADRM COC(=O)c1cc(OC)c(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)s1 ZINC000274974406 483664426 /nfs/dbraw/zinc/66/44/26/483664426.db2.gz WRRQHSQNXVQPNF-XRGYYRRGSA-N -1 0 353.374 -0.344 20 0 FBADRM COc1ccccc1-n1cc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cn1 ZINC000274974500 483664178 /nfs/dbraw/zinc/66/41/78/483664178.db2.gz WULAJDAIJOCLTF-LLVKDONJSA-N -1 0 355.372 -0.005 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2c[nH]c3ncccc23)C1 ZINC000274975034 243964201 /nfs/dbraw/zinc/96/42/01/243964201.db2.gz KVSJVPJSEUXNSD-SECBINFHSA-N -1 0 352.372 -0.226 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2c[nH]c3ncccc23)C1 ZINC000274975038 483664254 /nfs/dbraw/zinc/66/42/54/483664254.db2.gz KVSJVPJSEUXNSD-VIFPVBQESA-N -1 0 352.372 -0.226 20 0 FBADRM C[C@@H](CC(=O)[O-])C1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000274977538 483664191 /nfs/dbraw/zinc/66/41/91/483664191.db2.gz CXRRJETUWYVJDC-JTQLQIEISA-N -1 0 373.431 -0.405 20 0 FBADRM C[C@H](CC(=O)[O-])C1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000274977541 243965712 /nfs/dbraw/zinc/96/57/12/243965712.db2.gz CXRRJETUWYVJDC-SNVBAGLBSA-N -1 0 373.431 -0.405 20 0 FBADRM CC[C@@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000274977647 243965807 /nfs/dbraw/zinc/96/58/07/243965807.db2.gz XGJTUGRMTNYVFJ-LLVKDONJSA-N -1 0 350.418 -0.253 20 0 FBADRM CC[C@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000274977651 483664578 /nfs/dbraw/zinc/66/45/78/483664578.db2.gz XGJTUGRMTNYVFJ-NSHDSACASA-N -1 0 350.418 -0.253 20 0 FBADRM CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c1 ZINC000274977759 485277149 /nfs/dbraw/zinc/27/71/49/485277149.db2.gz XJOPDDBFQRFYEB-VIFPVBQESA-N -1 0 371.820 -0.143 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@@H]3C=C[C@@H](C(=O)[O-])C3)cnc21 ZINC000274978800 483664443 /nfs/dbraw/zinc/66/44/43/483664443.db2.gz JJKUYKVSEXRWMD-HTQZYQBOSA-N -1 0 366.355 -0.658 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@@H]3C=C[C@H](C(=O)[O-])C3)cnc21 ZINC000274978803 243965746 /nfs/dbraw/zinc/96/57/46/243965746.db2.gz JJKUYKVSEXRWMD-JGVFFNPUSA-N -1 0 366.355 -0.658 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@H]3C=C[C@@H](C(=O)[O-])C3)cnc21 ZINC000274978805 483664569 /nfs/dbraw/zinc/66/45/69/483664569.db2.gz JJKUYKVSEXRWMD-SFYZADRCSA-N -1 0 366.355 -0.658 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@H]3C=C[C@H](C(=O)[O-])C3)cnc21 ZINC000274978807 243964229 /nfs/dbraw/zinc/96/42/29/243964229.db2.gz JJKUYKVSEXRWMD-YUMQZZPRSA-N -1 0 366.355 -0.658 20 0 FBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000274979158 243964874 /nfs/dbraw/zinc/96/48/74/243964874.db2.gz DAPOXJAQYAGTDN-SSDOTTSWSA-N -1 0 371.824 -0.746 20 0 FBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000274979161 483664548 /nfs/dbraw/zinc/66/45/48/483664548.db2.gz DAPOXJAQYAGTDN-ZETCQYMHSA-N -1 0 371.824 -0.746 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000274979179 483664226 /nfs/dbraw/zinc/66/42/26/483664226.db2.gz XMDBYCSFFMGCRY-SECBINFHSA-N -1 0 364.401 -0.995 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000274979181 483664200 /nfs/dbraw/zinc/66/42/00/483664200.db2.gz XMDBYCSFFMGCRY-VIFPVBQESA-N -1 0 364.401 -0.995 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)CC(=O)[O-])cc1 ZINC000274980412 485277431 /nfs/dbraw/zinc/27/74/31/485277431.db2.gz JOIALQYAULFBCH-SECBINFHSA-N -1 0 350.418 -0.016 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](C)CC(=O)[O-])cc1 ZINC000274980415 485277470 /nfs/dbraw/zinc/27/74/70/485277470.db2.gz JOIALQYAULFBCH-VIFPVBQESA-N -1 0 350.418 -0.016 20 0 FBADRM COc1ccc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)cc1OC ZINC000274980631 483664557 /nfs/dbraw/zinc/66/45/57/483664557.db2.gz LLTDUENGNSAYMU-JTQLQIEISA-N -1 0 372.399 -0.085 20 0 FBADRM COc1ccc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)cc1OC ZINC000274980634 483664471 /nfs/dbraw/zinc/66/44/71/483664471.db2.gz LLTDUENGNSAYMU-SNVBAGLBSA-N -1 0 372.399 -0.085 20 0 FBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000274982727 243967217 /nfs/dbraw/zinc/96/72/17/243967217.db2.gz XZQQUBICBAWIAK-LBPRGKRZSA-N -1 0 370.383 -0.572 20 0 FBADRM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000274982741 483664221 /nfs/dbraw/zinc/66/42/21/483664221.db2.gz YAAAFGAEZLWJBB-SECBINFHSA-N -1 0 351.402 -0.569 20 0 FBADRM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000274982743 483664567 /nfs/dbraw/zinc/66/45/67/483664567.db2.gz YAAAFGAEZLWJBB-VIFPVBQESA-N -1 0 351.402 -0.569 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000274982814 243968113 /nfs/dbraw/zinc/96/81/13/243968113.db2.gz DIMKTVXADAUIGT-SECBINFHSA-N -1 0 363.369 -0.712 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000274982816 483664245 /nfs/dbraw/zinc/66/42/45/483664245.db2.gz DIMKTVXADAUIGT-VIFPVBQESA-N -1 0 363.369 -0.712 20 0 FBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000274982915 483664529 /nfs/dbraw/zinc/66/45/29/483664529.db2.gz DJXCJVQEIQLULY-JTQLQIEISA-N -1 0 355.376 -0.228 20 0 FBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000274982920 243968737 /nfs/dbraw/zinc/96/87/37/243968737.db2.gz DJXCJVQEIQLULY-SNVBAGLBSA-N -1 0 355.376 -0.228 20 0 FBADRM NC(=O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)[O-] ZINC000274984303 483664532 /nfs/dbraw/zinc/66/45/32/483664532.db2.gz YBIQGGFWHWCRAW-LLVKDONJSA-N -1 0 355.372 -0.432 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)[O-] ZINC000274984304 483664491 /nfs/dbraw/zinc/66/44/91/483664491.db2.gz YBIQGGFWHWCRAW-NSHDSACASA-N -1 0 355.372 -0.432 20 0 FBADRM COc1ccccc1-n1cc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cn1 ZINC000274984311 483664581 /nfs/dbraw/zinc/66/45/81/483664581.db2.gz YBRFSAUHWHNTJU-LBPRGKRZSA-N -1 0 355.372 -0.005 20 0 FBADRM COC(=O)c1cc(OC)c(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])s1 ZINC000274984329 483664525 /nfs/dbraw/zinc/66/45/25/483664525.db2.gz YDEUITXZQNFCJQ-RXMQYKEDSA-N -1 0 366.373 -0.850 20 0 FBADRM COC(=O)c1cc(OC)c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])s1 ZINC000274984330 483664588 /nfs/dbraw/zinc/66/45/88/483664588.db2.gz YDEUITXZQNFCJQ-YFKPBYRVSA-N -1 0 366.373 -0.850 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc2nonc21 ZINC000274984737 243967967 /nfs/dbraw/zinc/96/79/67/243967967.db2.gz DMKOEUXQVARKMJ-MRVPVSSYSA-N -1 0 361.357 -0.905 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc2nonc21 ZINC000274984740 483664242 /nfs/dbraw/zinc/66/42/42/483664242.db2.gz DMKOEUXQVARKMJ-QMMMGPOBSA-N -1 0 361.357 -0.905 20 0 FBADRM C[C@H](CCCNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000274986070 483664234 /nfs/dbraw/zinc/66/42/34/483664234.db2.gz MDBJCXGUKNXFBP-MRVPVSSYSA-N -1 0 370.387 -0.187 20 0 FBADRM C[C@@H](CCCNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000274986072 483664379 /nfs/dbraw/zinc/66/43/79/483664379.db2.gz MDBJCXGUKNXFBP-QMMMGPOBSA-N -1 0 370.387 -0.187 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000274986380 485277214 /nfs/dbraw/zinc/27/72/14/485277214.db2.gz YOJRBMXSRCIOIO-LLVKDONJSA-N -1 0 351.402 -0.648 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000274986381 243969079 /nfs/dbraw/zinc/96/90/79/243969079.db2.gz YOJRBMXSRCIOIO-NSHDSACASA-N -1 0 351.402 -0.648 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000274987735 243968866 /nfs/dbraw/zinc/96/88/66/243968866.db2.gz MFTFPVVGAFUCSR-MRVPVSSYSA-N -1 0 369.355 -0.668 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000274987738 243967005 /nfs/dbraw/zinc/96/70/05/243967005.db2.gz MFTFPVVGAFUCSR-QMMMGPOBSA-N -1 0 369.355 -0.668 20 0 FBADRM NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc2nonc21 ZINC000274988404 483664574 /nfs/dbraw/zinc/66/45/74/483664574.db2.gz DUOVCUVTMHGLHH-APPZFPTMSA-N -1 0 354.344 -0.438 20 0 FBADRM NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc2nonc21 ZINC000274988408 483664551 /nfs/dbraw/zinc/66/45/51/483664551.db2.gz DUOVCUVTMHGLHH-CBAPKCEASA-N -1 0 354.344 -0.438 20 0 FBADRM NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc2nonc21 ZINC000274988412 243968659 /nfs/dbraw/zinc/96/86/59/243968659.db2.gz DUOVCUVTMHGLHH-IONNQARKSA-N -1 0 354.344 -0.438 20 0 FBADRM NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc2nonc21 ZINC000274988416 243968003 /nfs/dbraw/zinc/96/80/03/243968003.db2.gz DUOVCUVTMHGLHH-VXNVDRBHSA-N -1 0 354.344 -0.438 20 0 FBADRM COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000274989465 483664326 /nfs/dbraw/zinc/66/43/26/483664326.db2.gz YUMHHADZYOHXDC-MRVPVSSYSA-N -1 0 364.763 -0.267 20 0 FBADRM COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000274989466 483664385 /nfs/dbraw/zinc/66/43/85/483664385.db2.gz YUMHHADZYOHXDC-QMMMGPOBSA-N -1 0 364.763 -0.267 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000274990137 483664422 /nfs/dbraw/zinc/66/44/22/483664422.db2.gz DYRWIWYNCODSJK-SECBINFHSA-N -1 0 368.820 -0.252 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000274990138 483664354 /nfs/dbraw/zinc/66/43/54/483664354.db2.gz DYRWIWYNCODSJK-VIFPVBQESA-N -1 0 368.820 -0.252 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cc1 ZINC000274991116 536113663 /nfs/dbraw/zinc/11/36/63/536113663.db2.gz ZBZJJCOZTMJFDX-LLVKDONJSA-N -1 0 366.417 -0.949 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N[C@H](CC(=O)c1cccs1)C(=O)[O-] ZINC000274991180 483664321 /nfs/dbraw/zinc/66/43/21/483664321.db2.gz MRYBMCUMFJKDOK-MRVPVSSYSA-N -1 0 369.442 -0.262 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N[C@@H](CC(=O)c1cccs1)C(=O)[O-] ZINC000274991182 483664169 /nfs/dbraw/zinc/66/41/69/483664169.db2.gz MRYBMCUMFJKDOK-QMMMGPOBSA-N -1 0 369.442 -0.262 20 0 FBADRM CCC(=O)NCc1cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])ccc1OC ZINC000274991195 483664419 /nfs/dbraw/zinc/66/44/19/483664419.db2.gz ZFECAKIQFYGUAF-LLVKDONJSA-N -1 0 360.388 -0.555 20 0 FBADRM CCC(=O)NCc1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])ccc1OC ZINC000274991197 483664488 /nfs/dbraw/zinc/66/44/88/483664488.db2.gz ZFECAKIQFYGUAF-NSHDSACASA-N -1 0 360.388 -0.555 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000274991273 483664417 /nfs/dbraw/zinc/66/44/17/483664417.db2.gz MUOCUXQRFRUVHG-LLVKDONJSA-N -1 0 370.383 -0.315 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000274991275 483664318 /nfs/dbraw/zinc/66/43/18/483664318.db2.gz MUOCUXQRFRUVHG-NSHDSACASA-N -1 0 370.383 -0.315 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(F)cccc1F ZINC000274991857 483664188 /nfs/dbraw/zinc/66/41/88/483664188.db2.gz FEURZQNFBOWICF-SECBINFHSA-N -1 0 355.340 -0.163 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(F)cccc1F ZINC000274991858 243968075 /nfs/dbraw/zinc/96/80/75/243968075.db2.gz FEURZQNFBOWICF-VIFPVBQESA-N -1 0 355.340 -0.163 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000274993008 483664248 /nfs/dbraw/zinc/66/42/48/483664248.db2.gz NAVYZEQPTAAPQI-MRVPVSSYSA-N -1 0 368.371 -0.932 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000274993012 483664315 /nfs/dbraw/zinc/66/43/15/483664315.db2.gz NAVYZEQPTAAPQI-QMMMGPOBSA-N -1 0 368.371 -0.932 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])cc1 ZINC000274993409 485277159 /nfs/dbraw/zinc/27/71/59/485277159.db2.gz FGPQKFALGXHGAL-CYBMUJFWSA-N -1 0 364.383 -0.031 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)[O-])cc1 ZINC000274993413 485277187 /nfs/dbraw/zinc/27/71/87/485277187.db2.gz FGPQKFALGXHGAL-ZDUSSCGKSA-N -1 0 364.383 -0.031 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)N[C@H](Cc3c[nH]cn3)C(=O)[O-])cc12 ZINC000274994415 483664405 /nfs/dbraw/zinc/66/44/05/483664405.db2.gz ZQGHKSNDPIHKIK-GFCCVEGCSA-N -1 0 364.387 -0.026 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H](Cc3c[nH]cn3)C(=O)[O-])cc12 ZINC000274994420 483664537 /nfs/dbraw/zinc/66/45/37/483664537.db2.gz ZQGHKSNDPIHKIK-LBPRGKRZSA-N -1 0 364.387 -0.026 20 0 FBADRM COC(=O)Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)n1 ZINC000274995583 483664284 /nfs/dbraw/zinc/66/42/84/483664284.db2.gz ZYCMBTSAIVHDHV-UHFFFAOYSA-N -1 0 368.437 -0.921 20 0 FBADRM Cc1nc(CCNS(=O)(=O)CCS(C)(=O)=O)sc1C(=O)[O-] ZINC000274998004 483664338 /nfs/dbraw/zinc/66/43/38/483664338.db2.gz AGHCPDYWNABHJU-UHFFFAOYSA-N -1 0 356.447 -0.344 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000274998790 243968861 /nfs/dbraw/zinc/96/88/61/243968861.db2.gz FVABDWWSKDHTCQ-LLVKDONJSA-N -1 0 361.397 -0.506 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000274998793 483664512 /nfs/dbraw/zinc/66/45/12/483664512.db2.gz FVABDWWSKDHTCQ-NSHDSACASA-N -1 0 361.397 -0.506 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000274999356 483664333 /nfs/dbraw/zinc/66/43/33/483664333.db2.gz NUYFDSLOWDPKLT-JTQLQIEISA-N -1 0 370.383 -0.331 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000274999357 243967957 /nfs/dbraw/zinc/96/79/57/243967957.db2.gz NUYFDSLOWDPKLT-SNVBAGLBSA-N -1 0 370.383 -0.331 20 0 FBADRM Cc1nc(C)c(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])s1 ZINC000275000344 483664167 /nfs/dbraw/zinc/66/41/67/483664167.db2.gz GDEIMACUMXHISM-MRVPVSSYSA-N -1 0 354.431 -0.368 20 0 FBADRM Cc1nc(C)c(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])s1 ZINC000275000346 483664186 /nfs/dbraw/zinc/66/41/86/483664186.db2.gz GDEIMACUMXHISM-QMMMGPOBSA-N -1 0 354.431 -0.368 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)C1 ZINC000275001032 483664766 /nfs/dbraw/zinc/66/47/66/483664766.db2.gz OAHXMHJDDWOGGC-JTQLQIEISA-N -1 0 367.383 -0.607 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)C1 ZINC000275001033 483664739 /nfs/dbraw/zinc/66/47/39/483664739.db2.gz OAHXMHJDDWOGGC-SNVBAGLBSA-N -1 0 367.383 -0.607 20 0 FBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1cnn(Cc2ccccc2)c1)C(=O)[O-] ZINC000275001881 483664981 /nfs/dbraw/zinc/66/49/81/483664981.db2.gz AQNKKALHHTZUJW-CYBMUJFWSA-N -1 0 366.399 -0.072 20 0 FBADRM NC(=O)CC[C@H](NS(=O)(=O)c1cnn(Cc2ccccc2)c1)C(=O)[O-] ZINC000275001888 483665033 /nfs/dbraw/zinc/66/50/33/483665033.db2.gz AQNKKALHHTZUJW-ZDUSSCGKSA-N -1 0 366.399 -0.072 20 0 FBADRM Cn1cnc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)c1Cl ZINC000275002598 483664879 /nfs/dbraw/zinc/66/48/79/483664879.db2.gz OHQJLKRPNWHMRP-SSDOTTSWSA-N -1 0 350.784 -0.715 20 0 FBADRM Cn1cnc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)c1Cl ZINC000275002601 483665128 /nfs/dbraw/zinc/66/51/28/483665128.db2.gz OHQJLKRPNWHMRP-ZETCQYMHSA-N -1 0 350.784 -0.715 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000275003141 483665159 /nfs/dbraw/zinc/66/51/59/483665159.db2.gz MCRLHDVUMKXIQA-GHMZBOCLSA-N -1 0 373.431 -0.214 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000275003143 483664959 /nfs/dbraw/zinc/66/49/59/483664959.db2.gz MCRLHDVUMKXIQA-MNOVXSKESA-N -1 0 373.431 -0.214 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000275003145 483664728 /nfs/dbraw/zinc/66/47/28/483664728.db2.gz MCRLHDVUMKXIQA-QWRGUYRKSA-N -1 0 373.431 -0.214 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000275003147 483664915 /nfs/dbraw/zinc/66/49/15/483664915.db2.gz MCRLHDVUMKXIQA-WDEREUQCSA-N -1 0 373.431 -0.214 20 0 FBADRM O=C([O-])[C@@H]1C=C[C@H](NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000275004592 243968432 /nfs/dbraw/zinc/96/84/32/243968432.db2.gz MIXFEUDBPDQCMI-NEPJUHHUSA-N -1 0 374.440 -0.086 20 0 FBADRM O=C([O-])[C@H]1C=C[C@@H](NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000275004594 243968535 /nfs/dbraw/zinc/96/85/35/243968535.db2.gz MIXFEUDBPDQCMI-NWDGAFQWSA-N -1 0 374.440 -0.086 20 0 FBADRM O=C([O-])[C@H]1C=C[C@H](NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000275004596 483665176 /nfs/dbraw/zinc/66/51/76/483665176.db2.gz MIXFEUDBPDQCMI-RYUDHWBXSA-N -1 0 374.440 -0.086 20 0 FBADRM O=C([O-])[C@@H]1C=C[C@@H](NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000275004598 243968681 /nfs/dbraw/zinc/96/86/81/243968681.db2.gz MIXFEUDBPDQCMI-VXGBXAGGSA-N -1 0 374.440 -0.086 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])c1 ZINC000275005697 483664763 /nfs/dbraw/zinc/66/47/63/483664763.db2.gz OZWCEOHOCGPYHM-CYBMUJFWSA-N -1 0 372.399 -0.463 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])c1 ZINC000275005699 483665197 /nfs/dbraw/zinc/66/51/97/483665197.db2.gz OZWCEOHOCGPYHM-ZDUSSCGKSA-N -1 0 372.399 -0.463 20 0 FBADRM CC1(c2ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cc2)OCCO1 ZINC000275007248 483665099 /nfs/dbraw/zinc/66/50/99/483665099.db2.gz BJGNPCKNJODSKR-GFCCVEGCSA-N -1 0 372.399 -0.097 20 0 FBADRM CC1(c2ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cc2)OCCO1 ZINC000275007258 483664862 /nfs/dbraw/zinc/66/48/62/483664862.db2.gz BJGNPCKNJODSKR-LBPRGKRZSA-N -1 0 372.399 -0.097 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)Nc1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000275007909 483664900 /nfs/dbraw/zinc/66/49/00/483664900.db2.gz MTEBUXDVPTXYFM-UHFFFAOYSA-N -1 0 365.385 -0.058 20 0 FBADRM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c1 ZINC000275008648 483664907 /nfs/dbraw/zinc/66/49/07/483664907.db2.gz BNEXTVYUYYHVTI-JTQLQIEISA-N -1 0 365.429 -0.179 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@H]2COCCN2CC(F)F)s1 ZINC000275009115 483665086 /nfs/dbraw/zinc/66/50/86/483665086.db2.gz PMHBXNOVUTYZGC-LURJTMIESA-N -1 0 371.391 -0.186 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@H]2COCCN2CC(F)F)s1 ZINC000275009118 483664872 /nfs/dbraw/zinc/66/48/72/483664872.db2.gz PMHBXNOVUTYZGC-ZCFIWIBFSA-N -1 0 371.391 -0.186 20 0 FBADRM Cc1cccc([C@@H](NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(=O)[O-])c1 ZINC000275009927 483665010 /nfs/dbraw/zinc/66/50/10/483665010.db2.gz BSMDDOMRAMPADW-GFCCVEGCSA-N -1 0 367.383 -0.503 20 0 FBADRM Cc1cccc([C@H](NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(=O)[O-])c1 ZINC000275009928 483664776 /nfs/dbraw/zinc/66/47/76/483664776.db2.gz BSMDDOMRAMPADW-LBPRGKRZSA-N -1 0 367.383 -0.503 20 0 FBADRM COCCN(C)S(=O)(=O)Nc1ccc(C(=O)[O-])c(-n2nnnc2C)c1 ZINC000275010170 483665141 /nfs/dbraw/zinc/66/51/41/483665141.db2.gz NDAULXBMKCJEAF-UHFFFAOYSA-N -1 0 370.391 -0.096 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2cccc3c2OCCO3)C1 ZINC000275010364 243966892 /nfs/dbraw/zinc/96/68/92/243966892.db2.gz PUIMTIUKQVIRDY-JTQLQIEISA-N -1 0 370.383 -0.331 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2cccc3c2OCCO3)C1 ZINC000275010367 483664869 /nfs/dbraw/zinc/66/48/69/483664869.db2.gz PUIMTIUKQVIRDY-SNVBAGLBSA-N -1 0 370.383 -0.331 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1Cl ZINC000275011273 243967520 /nfs/dbraw/zinc/96/75/20/243967520.db2.gz BWHCIUMDAFBZSU-JTQLQIEISA-N -1 0 363.779 -0.095 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1Cl ZINC000275011275 243967821 /nfs/dbraw/zinc/96/78/21/243967821.db2.gz BWHCIUMDAFBZSU-SNVBAGLBSA-N -1 0 363.779 -0.095 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000275012802 483664788 /nfs/dbraw/zinc/66/47/88/483664788.db2.gz QEUJEQQVORHOAK-LLVKDONJSA-N -1 0 369.399 -0.742 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000275012803 483664836 /nfs/dbraw/zinc/66/48/36/483664836.db2.gz QEUJEQQVORHOAK-NSHDSACASA-N -1 0 369.399 -0.742 20 0 FBADRM COc1cc(OC)c(S(=O)(=O)NCC(=O)NCC(=O)[O-])c(OC)c1 ZINC000275014032 243969067 /nfs/dbraw/zinc/96/90/67/243969067.db2.gz NTXFZRFXTBTFAR-UHFFFAOYSA-N -1 0 362.360 -0.809 20 0 FBADRM CCOc1ccc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)cn1 ZINC000275014241 483665155 /nfs/dbraw/zinc/66/51/55/483665155.db2.gz QKEUTIQSHSLQJK-JTQLQIEISA-N -1 0 357.388 -0.308 20 0 FBADRM CCOc1ccc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)cn1 ZINC000275014243 483665104 /nfs/dbraw/zinc/66/51/04/483665104.db2.gz QKEUTIQSHSLQJK-SNVBAGLBSA-N -1 0 357.388 -0.308 20 0 FBADRM COc1cc(OC)cc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000275015503 483665071 /nfs/dbraw/zinc/66/50/71/483665071.db2.gz QQNAXDZADMAANE-JTQLQIEISA-N -1 0 372.399 -0.085 20 0 FBADRM COc1cc(OC)cc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000275015504 483665058 /nfs/dbraw/zinc/66/50/58/483665058.db2.gz QQNAXDZADMAANE-SNVBAGLBSA-N -1 0 372.399 -0.085 20 0 FBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000275015627 483664912 /nfs/dbraw/zinc/66/49/12/483664912.db2.gz CMJJJWDYPUJTFF-VIFPVBQESA-N -1 0 370.305 -0.298 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000275019292 243968311 /nfs/dbraw/zinc/96/83/11/243968311.db2.gz RLJCOFZUNJVHLM-LLVKDONJSA-N -1 0 370.383 -0.315 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000275019295 483664934 /nfs/dbraw/zinc/66/49/34/483664934.db2.gz RLJCOFZUNJVHLM-NSHDSACASA-N -1 0 370.383 -0.315 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000275019829 243968524 /nfs/dbraw/zinc/96/85/24/243968524.db2.gz DCWTVVMQYQXXCJ-UHFFFAOYSA-N -1 0 364.445 -0.214 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cc1F ZINC000275019851 483664756 /nfs/dbraw/zinc/66/47/56/483664756.db2.gz DENCSGQRPQYTIN-VIFPVBQESA-N -1 0 355.365 -0.657 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)(C)C)c(=O)n(C)c1=O ZINC000275020223 485277590 /nfs/dbraw/zinc/27/75/90/485277590.db2.gz OPJQDZDHYPDQGK-SECBINFHSA-N -1 0 361.420 -0.358 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])CC(C)(C)C)c(=O)n(C)c1=O ZINC000275020224 485277220 /nfs/dbraw/zinc/27/72/20/485277220.db2.gz OPJQDZDHYPDQGK-VIFPVBQESA-N -1 0 361.420 -0.358 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000275020426 483665162 /nfs/dbraw/zinc/66/51/62/483665162.db2.gz ZVFWUJHLDBIUAO-UHFFFAOYSA-N -1 0 363.399 -0.120 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCS(=O)(=O)NCc1ccccc1 ZINC000275020941 483664748 /nfs/dbraw/zinc/66/47/48/483664748.db2.gz RTYLQBSJTNKBLP-UHFFFAOYSA-N -1 0 371.444 -0.574 20 0 FBADRM COC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1 ZINC000275026404 243971409 /nfs/dbraw/zinc/97/14/09/243971409.db2.gz FCBUHMGVEMZEKP-JTQLQIEISA-N -1 0 358.372 -0.221 20 0 FBADRM COC(=O)c1ccc(C)c(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c1 ZINC000275026405 243971033 /nfs/dbraw/zinc/97/10/33/243971033.db2.gz FCBUHMGVEMZEKP-SNVBAGLBSA-N -1 0 358.372 -0.221 20 0 FBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-] ZINC000275027842 483664904 /nfs/dbraw/zinc/66/49/04/483664904.db2.gz FFSTVSUTICSFNS-KCJUWKMLSA-N -1 0 366.417 -0.951 20 0 FBADRM C[C@H](CCCC(=O)[O-])NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000275028567 483665195 /nfs/dbraw/zinc/66/51/95/483665195.db2.gz SYNIABVVRVHYPD-MRVPVSSYSA-N -1 0 370.387 -0.044 20 0 FBADRM C[C@@H](CCCC(=O)[O-])NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000275028571 483665075 /nfs/dbraw/zinc/66/50/75/483665075.db2.gz SYNIABVVRVHYPD-QMMMGPOBSA-N -1 0 370.387 -0.044 20 0 FBADRM COCC[C@@H](NS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000275029522 243970707 /nfs/dbraw/zinc/97/07/07/243970707.db2.gz FLLYPUWGEPUKCN-LLVKDONJSA-N -1 0 351.402 -0.142 20 0 FBADRM COCC[C@H](NS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000275029530 483665186 /nfs/dbraw/zinc/66/51/86/483665186.db2.gz FLLYPUWGEPUKCN-NSHDSACASA-N -1 0 351.402 -0.142 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000275033659 243971154 /nfs/dbraw/zinc/97/11/54/243971154.db2.gz UJUCGNFVDOPBBQ-LLVKDONJSA-N -1 0 353.393 -0.215 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000275033662 483664986 /nfs/dbraw/zinc/66/49/86/483664986.db2.gz UJUCGNFVDOPBBQ-NSHDSACASA-N -1 0 353.393 -0.215 20 0 FBADRM COC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c1 ZINC000275035357 243969819 /nfs/dbraw/zinc/96/98/19/243969819.db2.gz GHLJSVUQHPCEBL-SECBINFHSA-N -1 0 374.371 -0.521 20 0 FBADRM COC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1 ZINC000275035358 483665081 /nfs/dbraw/zinc/66/50/81/483665081.db2.gz GHLJSVUQHPCEBL-VIFPVBQESA-N -1 0 374.371 -0.521 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000275038419 483665019 /nfs/dbraw/zinc/66/50/19/483665019.db2.gz VDZDPJROMNNBBU-LLVKDONJSA-N -1 0 354.384 -0.167 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000275038420 243970007 /nfs/dbraw/zinc/97/00/07/243970007.db2.gz VDZDPJROMNNBBU-NSHDSACASA-N -1 0 354.384 -0.167 20 0 FBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC000275040203 483664769 /nfs/dbraw/zinc/66/47/69/483664769.db2.gz GTVDARGHISLFLA-SECBINFHSA-N -1 0 373.362 -0.293 20 0 FBADRM NC(=O)CC[C@H](NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC000275040212 483665181 /nfs/dbraw/zinc/66/51/81/483665181.db2.gz GTVDARGHISLFLA-VIFPVBQESA-N -1 0 373.362 -0.293 20 0 FBADRM CC1(c2ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc2)OCCO1 ZINC000275040735 483665845 /nfs/dbraw/zinc/66/58/45/483665845.db2.gz GYHJYKFWTDZLMO-LLVKDONJSA-N -1 0 358.372 -0.487 20 0 FBADRM CC1(c2ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc2)OCCO1 ZINC000275040746 483665324 /nfs/dbraw/zinc/66/53/24/483665324.db2.gz GYHJYKFWTDZLMO-NSHDSACASA-N -1 0 358.372 -0.487 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000275042236 483665663 /nfs/dbraw/zinc/66/56/63/483665663.db2.gz HCARMGVWLQMEQT-GFCCVEGCSA-N -1 0 364.445 -0.021 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000275042246 243971174 /nfs/dbraw/zinc/97/11/74/243971174.db2.gz HCARMGVWLQMEQT-LBPRGKRZSA-N -1 0 364.445 -0.021 20 0 FBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-] ZINC000275045088 483665608 /nfs/dbraw/zinc/66/56/08/483665608.db2.gz FSKFSQNYQVCSEG-MRVPVSSYSA-N -1 0 355.319 -0.167 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-] ZINC000275045090 483665540 /nfs/dbraw/zinc/66/55/40/483665540.db2.gz FSKFSQNYQVCSEG-QMMMGPOBSA-N -1 0 355.319 -0.167 20 0 FBADRM COCCN(C)S(=O)(=O)N[C@H](Cc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000275047105 483665559 /nfs/dbraw/zinc/66/55/59/483665559.db2.gz HOVCOVNFVSIIJC-LLVKDONJSA-N -1 0 360.388 -0.176 20 0 FBADRM COCCN(C)S(=O)(=O)N[C@@H](Cc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000275047109 483665752 /nfs/dbraw/zinc/66/57/52/483665752.db2.gz HOVCOVNFVSIIJC-NSHDSACASA-N -1 0 360.388 -0.176 20 0 FBADRM COCC[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)C(=O)[O-] ZINC000275048784 483665674 /nfs/dbraw/zinc/66/56/74/483665674.db2.gz HXLYLYIBJHIBBS-JTQLQIEISA-N -1 0 357.344 -0.191 20 0 FBADRM COCC[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)C(=O)[O-] ZINC000275048790 483665499 /nfs/dbraw/zinc/66/54/99/483665499.db2.gz HXLYLYIBJHIBBS-SNVBAGLBSA-N -1 0 357.344 -0.191 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])c1 ZINC000275049739 536328059 /nfs/dbraw/zinc/32/80/59/536328059.db2.gz WVGBOQBZHJWCSZ-JTQLQIEISA-N -1 0 366.442 -0.257 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])c1 ZINC000275049742 483665520 /nfs/dbraw/zinc/66/55/20/483665520.db2.gz WVGBOQBZHJWCSZ-SNVBAGLBSA-N -1 0 366.442 -0.257 20 0 FBADRM COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000275051952 483665794 /nfs/dbraw/zinc/66/57/94/483665794.db2.gz IHJDHFFSVLXGBF-SNVBAGLBSA-N -1 0 358.372 -0.221 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])ccc1C ZINC000275053451 243969869 /nfs/dbraw/zinc/96/98/69/243969869.db2.gz IPMKVKVMTWSSNA-LLVKDONJSA-N -1 0 358.372 -0.221 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])ccc1C ZINC000275053457 483665799 /nfs/dbraw/zinc/66/57/99/483665799.db2.gz IPMKVKVMTWSSNA-NSHDSACASA-N -1 0 358.372 -0.221 20 0 FBADRM Cn1cc(S(=O)(=O)NCC2(CC(=O)[O-])CCCCC2)c(=O)n(C)c1=O ZINC000275054930 485278206 /nfs/dbraw/zinc/27/82/06/485278206.db2.gz IUHSWABVQNOADQ-UHFFFAOYSA-N -1 0 373.431 -0.213 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NCc1ccc(C(=O)[O-])c(C)n1 ZINC000275057529 483665659 /nfs/dbraw/zinc/66/56/59/483665659.db2.gz YIQMWXKHGQCNDY-UHFFFAOYSA-N -1 0 365.433 -0.553 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@@H](CCO)C(=O)[O-] ZINC000275057561 483665815 /nfs/dbraw/zinc/66/58/15/483665815.db2.gz JEUIODSNHBQROZ-JTQLQIEISA-N -1 0 351.402 -0.488 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)c(C)o1 ZINC000275058685 243970237 /nfs/dbraw/zinc/97/02/37/243970237.db2.gz YMZBGCHBNVPBQS-SECBINFHSA-N -1 0 374.371 -0.414 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)c(C)o1 ZINC000275058686 483665369 /nfs/dbraw/zinc/66/53/69/483665369.db2.gz YMZBGCHBNVPBQS-VIFPVBQESA-N -1 0 374.371 -0.414 20 0 FBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(=O)[O-] ZINC000275059210 485278698 /nfs/dbraw/zinc/27/86/98/485278698.db2.gz JMADHYHRQJYUMX-LDWIPMOCSA-N -1 0 371.820 -0.144 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCC(C)(C)CC(=O)[O-])cnc21 ZINC000275060019 483665571 /nfs/dbraw/zinc/66/55/71/483665571.db2.gz UPUAAQBAWZOJAE-UHFFFAOYSA-N -1 0 370.387 -0.187 20 0 FBADRM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])ccc2O1 ZINC000275060504 483665783 /nfs/dbraw/zinc/66/57/83/483665783.db2.gz JOTKQGSSVKYEPY-CMPLNLGQSA-N -1 0 359.356 -0.723 20 0 FBADRM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])ccc2O1 ZINC000275060515 535570421 /nfs/dbraw/zinc/57/04/21/535570421.db2.gz JOTKQGSSVKYEPY-JQWIXIFHSA-N -1 0 359.356 -0.723 20 0 FBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000275060766 483665646 /nfs/dbraw/zinc/66/56/46/483665646.db2.gz JSGHCGKQMAETQA-LBPRGKRZSA-N -1 0 370.383 -0.572 20 0 FBADRM NC(=O)C[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC000275060782 483665718 /nfs/dbraw/zinc/66/57/18/483665718.db2.gz JSTUDUTVWPLAPC-LLVKDONJSA-N -1 0 355.372 -0.580 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)c[nH]1 ZINC000275061011 483665361 /nfs/dbraw/zinc/66/53/61/483665361.db2.gz YWHGSOGEVDICQZ-MRVPVSSYSA-N -1 0 359.360 -0.987 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)c[nH]1 ZINC000275061013 483665812 /nfs/dbraw/zinc/66/58/12/483665812.db2.gz YWHGSOGEVDICQZ-QMMMGPOBSA-N -1 0 359.360 -0.987 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cs1 ZINC000275063689 243970509 /nfs/dbraw/zinc/97/05/09/243970509.db2.gz KCZAPHLTAKTJHS-ZETCQYMHSA-N -1 0 350.374 -0.468 20 0 FBADRM O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)NS(=O)(=O)N1CCOCC1 ZINC000275064632 483665724 /nfs/dbraw/zinc/66/57/24/483665724.db2.gz KEDJNORIKTWCLI-LLVKDONJSA-N -1 0 358.372 -0.422 20 0 FBADRM O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)NS(=O)(=O)N1CCOCC1 ZINC000275064640 483665611 /nfs/dbraw/zinc/66/56/11/483665611.db2.gz KEDJNORIKTWCLI-NSHDSACASA-N -1 0 358.372 -0.422 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)c1 ZINC000275065149 536328525 /nfs/dbraw/zinc/32/85/25/536328525.db2.gz VKEQLARVMQKGJA-NXEZZACHSA-N -1 0 360.413 -0.098 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)c1 ZINC000275065150 483665827 /nfs/dbraw/zinc/66/58/27/483665827.db2.gz VKEQLARVMQKGJA-UWVGGRQHSA-N -1 0 360.413 -0.098 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)c1 ZINC000275065151 483665615 /nfs/dbraw/zinc/66/56/15/483665615.db2.gz VKEQLARVMQKGJA-VHSXEESVSA-N -1 0 360.413 -0.098 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)c1 ZINC000275065152 483665462 /nfs/dbraw/zinc/66/54/62/483665462.db2.gz VKEQLARVMQKGJA-ZJUUUORDSA-N -1 0 360.413 -0.098 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H](C)CC(=O)[O-])c1 ZINC000275065857 483665354 /nfs/dbraw/zinc/66/53/54/483665354.db2.gz VLJCWRGTLZBYSY-SECBINFHSA-N -1 0 350.418 -0.016 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](C)CC(=O)[O-])c1 ZINC000275065860 483665423 /nfs/dbraw/zinc/66/54/23/483665423.db2.gz VLJCWRGTLZBYSY-VIFPVBQESA-N -1 0 350.418 -0.016 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])cc2C1=O ZINC000275066489 483665536 /nfs/dbraw/zinc/66/55/36/483665536.db2.gz AAUASJUSILDJBK-HQJQHLMTSA-N -1 0 354.340 -0.879 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])cc2C1=O ZINC000275066498 243969946 /nfs/dbraw/zinc/96/99/46/243969946.db2.gz AAUASJUSILDJBK-RDDDGLTNSA-N -1 0 354.340 -0.879 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000275066572 243970658 /nfs/dbraw/zinc/97/06/58/243970658.db2.gz ABRLDQHUXFMQQU-LDWIPMOCSA-N -1 0 355.328 -0.751 20 0 FBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000275066582 483665412 /nfs/dbraw/zinc/66/54/12/483665412.db2.gz ABRLDQHUXFMQQU-LHLIQPBNSA-N -1 0 355.328 -0.751 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000275066865 483665760 /nfs/dbraw/zinc/66/57/60/483665760.db2.gz AGWWRGUWZHYNNI-UHFFFAOYSA-N -1 0 364.445 -0.158 20 0 FBADRM COC(=O)c1cc(OC)c(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])s1 ZINC000275067205 483665446 /nfs/dbraw/zinc/66/54/46/483665446.db2.gz KQGJRZXTJUQYDK-LURJTMIESA-N -1 0 353.374 -0.343 20 0 FBADRM COCC[C@H](NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(=O)[O-] ZINC000275069131 483665791 /nfs/dbraw/zinc/66/57/91/483665791.db2.gz KYJVMEOEJODFGG-JTQLQIEISA-N -1 0 369.392 -0.003 20 0 FBADRM COCC[C@@H](NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(=O)[O-] ZINC000275069135 483665379 /nfs/dbraw/zinc/66/53/79/483665379.db2.gz KYJVMEOEJODFGG-SNVBAGLBSA-N -1 0 369.392 -0.003 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000275069179 483665834 /nfs/dbraw/zinc/66/58/34/483665834.db2.gz GRQDJRSINMTGBX-LLVKDONJSA-N -1 0 363.413 -0.127 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000275069180 483665598 /nfs/dbraw/zinc/66/55/98/483665598.db2.gz GRQDJRSINMTGBX-NSHDSACASA-N -1 0 363.413 -0.127 20 0 FBADRM COC(=O)c1cccc(CS(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c1 ZINC000275069224 485278596 /nfs/dbraw/zinc/27/85/96/485278596.db2.gz KZEVSWDBSARMCX-LLVKDONJSA-N -1 0 358.372 -0.389 20 0 FBADRM COC(=O)c1cccc(CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1 ZINC000275069231 485278693 /nfs/dbraw/zinc/27/86/93/485278693.db2.gz KZEVSWDBSARMCX-NSHDSACASA-N -1 0 358.372 -0.389 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCCSCC(=O)[O-])cnc21 ZINC000275069336 483665565 /nfs/dbraw/zinc/66/55/65/483665565.db2.gz WFZGBKVKCPIMDT-UHFFFAOYSA-N -1 0 374.400 -0.870 20 0 FBADRM C[C@H](CCNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)CC(=O)[O-] ZINC000275069414 483665343 /nfs/dbraw/zinc/66/53/43/483665343.db2.gz WHQDFOWLHXVTDS-MRVPVSSYSA-N -1 0 370.387 -0.187 20 0 FBADRM C[C@@H](CCNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)CC(=O)[O-] ZINC000275069417 483665850 /nfs/dbraw/zinc/66/58/50/483665850.db2.gz WHQDFOWLHXVTDS-QMMMGPOBSA-N -1 0 370.387 -0.187 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(Cl)nc1 ZINC000275069994 483665832 /nfs/dbraw/zinc/66/58/32/483665832.db2.gz GUMAGJYVPRVPFX-MRVPVSSYSA-N -1 0 354.793 -0.393 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(Cl)nc1 ZINC000275069998 483665764 /nfs/dbraw/zinc/66/57/64/483665764.db2.gz GUMAGJYVPRVPFX-QMMMGPOBSA-N -1 0 354.793 -0.393 20 0 FBADRM CCOc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1 ZINC000275070090 483665636 /nfs/dbraw/zinc/66/56/36/483665636.db2.gz GVURYXWMGIZJDJ-GFCCVEGCSA-N -1 0 363.413 -0.042 20 0 FBADRM CCOc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1 ZINC000275070094 483665699 /nfs/dbraw/zinc/66/56/99/483665699.db2.gz GVURYXWMGIZJDJ-LBPRGKRZSA-N -1 0 363.413 -0.042 20 0 FBADRM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])ccc2O1 ZINC000275070599 483665619 /nfs/dbraw/zinc/66/56/19/483665619.db2.gz LGHGYZBXRLCGGV-AAEUAGOBSA-N -1 0 373.383 -0.333 20 0 FBADRM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])ccc2O1 ZINC000275070600 483665810 /nfs/dbraw/zinc/66/58/10/483665810.db2.gz LGHGYZBXRLCGGV-WCQYABFASA-N -1 0 373.383 -0.333 20 0 FBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(Cl)nc1 ZINC000275070906 483665733 /nfs/dbraw/zinc/66/57/33/483665733.db2.gz GYCWZDGDIAGETN-MRVPVSSYSA-N -1 0 368.820 -0.003 20 0 FBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(Cl)nc1 ZINC000275070908 483665778 /nfs/dbraw/zinc/66/57/78/483665778.db2.gz GYCWZDGDIAGETN-QMMMGPOBSA-N -1 0 368.820 -0.003 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC000275071467 483666528 /nfs/dbraw/zinc/66/65/28/483666528.db2.gz LHHVVKSQQCJIDX-GFCCVEGCSA-N -1 0 364.445 -0.021 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC000275071469 483666503 /nfs/dbraw/zinc/66/65/03/483666503.db2.gz LHHVVKSQQCJIDX-LBPRGKRZSA-N -1 0 364.445 -0.021 20 0 FBADRM COCC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000275071649 483666388 /nfs/dbraw/zinc/66/63/88/483666388.db2.gz LKHRNLPKXTZWCF-LLVKDONJSA-N -1 0 356.356 -0.320 20 0 FBADRM COCC[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000275071650 483666500 /nfs/dbraw/zinc/66/65/00/483666500.db2.gz LKHRNLPKXTZWCF-NSHDSACASA-N -1 0 356.356 -0.320 20 0 FBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000275072453 243972291 /nfs/dbraw/zinc/97/22/91/243972291.db2.gz HFNMGPUMDRPMLM-JTQLQIEISA-N -1 0 355.376 -0.228 20 0 FBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000275072457 243973961 /nfs/dbraw/zinc/97/39/61/243973961.db2.gz HFNMGPUMDRPMLM-SNVBAGLBSA-N -1 0 355.376 -0.228 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CCOC)C(=O)[O-])cc1 ZINC000275072641 485278118 /nfs/dbraw/zinc/27/81/18/485278118.db2.gz LNTZGKAFWGZIKK-LLVKDONJSA-N -1 0 366.417 -0.637 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CCOC)C(=O)[O-])cc1 ZINC000275072642 485278746 /nfs/dbraw/zinc/27/87/46/485278746.db2.gz LNTZGKAFWGZIKK-NSHDSACASA-N -1 0 366.417 -0.637 20 0 FBADRM CCC(=O)NCc1cc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])ccc1OC ZINC000275076128 483666188 /nfs/dbraw/zinc/66/61/88/483666188.db2.gz MGLSXXXTLQVTOA-LBPRGKRZSA-N -1 0 374.415 -0.165 20 0 FBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000275077254 483666037 /nfs/dbraw/zinc/66/60/37/483666037.db2.gz MMWNMQLJLCAUSR-MFKMUULPSA-N -1 0 372.399 -0.729 20 0 FBADRM C[C@@H](CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)CC(=O)[O-] ZINC000275077413 483666380 /nfs/dbraw/zinc/66/63/80/483666380.db2.gz XVGPFDNQZXTLJB-LLVKDONJSA-N -1 0 364.445 -0.005 20 0 FBADRM C[C@H](CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)CC(=O)[O-] ZINC000275077416 243973275 /nfs/dbraw/zinc/97/32/75/243973275.db2.gz XVGPFDNQZXTLJB-NSHDSACASA-N -1 0 364.445 -0.005 20 0 FBADRM C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000275078325 483666323 /nfs/dbraw/zinc/66/63/23/483666323.db2.gz YEBBFPFSIQOSBZ-SSDOTTSWSA-N -1 0 356.360 -0.434 20 0 FBADRM C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000275078327 483666134 /nfs/dbraw/zinc/66/61/34/483666134.db2.gz YEBBFPFSIQOSBZ-ZETCQYMHSA-N -1 0 356.360 -0.434 20 0 FBADRM O=C([O-])C1CN(S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000275079696 243972810 /nfs/dbraw/zinc/97/28/10/243972810.db2.gz DMSDYQZQBMISAS-UHFFFAOYSA-N -1 0 360.413 -0.068 20 0 FBADRM COC(=O)c1csc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c1 ZINC000275081410 483666459 /nfs/dbraw/zinc/66/64/59/483666459.db2.gz NHWLWJGSUQEQOO-SSDOTTSWSA-N -1 0 350.374 -0.468 20 0 FBADRM COC(=O)c1csc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1 ZINC000275081411 483666281 /nfs/dbraw/zinc/66/62/81/483666281.db2.gz NHWLWJGSUQEQOO-ZETCQYMHSA-N -1 0 350.374 -0.468 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])ccc1F ZINC000275081429 243971958 /nfs/dbraw/zinc/97/19/58/243971958.db2.gz NIVUSSHNBCWUPM-VIFPVBQESA-N -1 0 355.365 -0.657 20 0 FBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000275081543 483666452 /nfs/dbraw/zinc/66/64/52/483666452.db2.gz ITBHOLIAUKZGDF-JTQLQIEISA-N -1 0 371.415 -0.013 20 0 FBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000275081545 483666350 /nfs/dbraw/zinc/66/63/50/483666350.db2.gz ITBHOLIAUKZGDF-SNVBAGLBSA-N -1 0 371.415 -0.013 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000275082353 483666493 /nfs/dbraw/zinc/66/64/93/483666493.db2.gz IWNCXDKENPTJLD-MRVPVSSYSA-N -1 0 366.827 -0.018 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000275082355 483666239 /nfs/dbraw/zinc/66/62/39/483666239.db2.gz IWNCXDKENPTJLD-QMMMGPOBSA-N -1 0 366.827 -0.018 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cn1C ZINC000275082587 483666344 /nfs/dbraw/zinc/66/63/44/483666344.db2.gz NOHVKTYRUABIQT-SECBINFHSA-N -1 0 361.376 -0.801 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cn1C ZINC000275082588 243973360 /nfs/dbraw/zinc/97/33/60/243973360.db2.gz NOHVKTYRUABIQT-VIFPVBQESA-N -1 0 361.376 -0.801 20 0 FBADRM COc1cccc(C[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-])c1 ZINC000275083823 483666224 /nfs/dbraw/zinc/66/62/24/483666224.db2.gz NSQWCPQLRQIZHG-GFCCVEGCSA-N -1 0 365.429 -0.345 20 0 FBADRM COc1cccc(C[C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-])c1 ZINC000275083827 483666529 /nfs/dbraw/zinc/66/65/29/483666529.db2.gz NSQWCPQLRQIZHG-LBPRGKRZSA-N -1 0 365.429 -0.345 20 0 FBADRM COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000275083877 483666524 /nfs/dbraw/zinc/66/65/24/483666524.db2.gz NTMXHZAHAAHHST-SECBINFHSA-N -1 0 362.335 -0.391 20 0 FBADRM NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000275084526 243973721 /nfs/dbraw/zinc/97/37/21/243973721.db2.gz JHSHNIWGABNMNG-CPCISQLKSA-N -1 0 368.371 -0.805 20 0 FBADRM NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000275084527 483666527 /nfs/dbraw/zinc/66/65/27/483666527.db2.gz JHSHNIWGABNMNG-HQJQHLMTSA-N -1 0 368.371 -0.805 20 0 FBADRM NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000275084528 483666393 /nfs/dbraw/zinc/66/63/93/483666393.db2.gz JHSHNIWGABNMNG-RDDDGLTNSA-N -1 0 368.371 -0.805 20 0 FBADRM NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000275084529 483666468 /nfs/dbraw/zinc/66/64/68/483666468.db2.gz JHSHNIWGABNMNG-WRWORJQWSA-N -1 0 368.371 -0.805 20 0 FBADRM COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000275084664 483666432 /nfs/dbraw/zinc/66/64/32/483666432.db2.gz NTMXHZAHAAHHST-VIFPVBQESA-N -1 0 362.335 -0.391 20 0 FBADRM CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000275085912 483666108 /nfs/dbraw/zinc/66/61/08/483666108.db2.gz ZRCALTRETMMKBD-JTQLQIEISA-N -1 0 370.387 -0.188 20 0 FBADRM CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000275085914 483666412 /nfs/dbraw/zinc/66/64/12/483666412.db2.gz ZRCALTRETMMKBD-SNVBAGLBSA-N -1 0 370.387 -0.188 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)NCCSCC(=O)[O-])c1 ZINC000275087206 483666058 /nfs/dbraw/zinc/66/60/58/483666058.db2.gz ZVRBHLAWSMHCOR-UHFFFAOYSA-N -1 0 368.458 -0.309 20 0 FBADRM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2CC(C(=O)[O-])C2)c1 ZINC000275088290 483666116 /nfs/dbraw/zinc/66/61/16/483666116.db2.gz GGICENIBLKXMCX-UHFFFAOYSA-N -1 0 357.340 -0.035 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])s1 ZINC000275090107 483666454 /nfs/dbraw/zinc/66/64/54/483666454.db2.gz OVAWLPRXMUXWOK-LURJTMIESA-N -1 0 350.374 -0.468 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])s1 ZINC000275090109 483666530 /nfs/dbraw/zinc/66/65/30/483666530.db2.gz OVAWLPRXMUXWOK-ZCFIWIBFSA-N -1 0 350.374 -0.468 20 0 FBADRM O=C(c1c([O-])cccc1F)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC000275091494 483666077 /nfs/dbraw/zinc/66/60/77/483666077.db2.gz IEKYGYANKPPQCJ-UHFFFAOYSA-N -1 0 355.351 -0.204 20 0 FBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000275092123 483666422 /nfs/dbraw/zinc/66/64/22/483666422.db2.gz PEWRIVHNKXIHOL-SSDOTTSWSA-N -1 0 366.193 -0.159 20 0 FBADRM NC(=O)CC[C@H](NS(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000275092135 483666029 /nfs/dbraw/zinc/66/60/29/483666029.db2.gz PEWRIVHNKXIHOL-ZETCQYMHSA-N -1 0 366.193 -0.159 20 0 FBADRM C[C@@H](C(=O)[O-])N(Cc1cccnc1)S(=O)(=O)CCS(C)(=O)=O ZINC000275092579 483666064 /nfs/dbraw/zinc/66/60/64/483666064.db2.gz HAWDHDGWZLVQBK-JTQLQIEISA-N -1 0 350.418 -0.269 20 0 FBADRM C[C@H](C(=O)[O-])N(Cc1cccnc1)S(=O)(=O)CCS(C)(=O)=O ZINC000275092583 483666533 /nfs/dbraw/zinc/66/65/33/483666533.db2.gz HAWDHDGWZLVQBK-SNVBAGLBSA-N -1 0 350.418 -0.269 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccc(F)cc1 ZINC000275092754 483666502 /nfs/dbraw/zinc/66/65/02/483666502.db2.gz KLAJRXOHZPCRCF-LLVKDONJSA-N -1 0 351.377 -0.161 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccc(F)cc1 ZINC000275092759 243973300 /nfs/dbraw/zinc/97/33/00/243973300.db2.gz KLAJRXOHZPCRCF-NSHDSACASA-N -1 0 351.377 -0.161 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000275094842 243972340 /nfs/dbraw/zinc/97/23/40/243972340.db2.gz PQVUNUQMORQGAJ-KCJUWKMLSA-N -1 0 351.402 -0.489 20 0 FBADRM COC(=O)c1ccc(F)c(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1 ZINC000275094982 483666510 /nfs/dbraw/zinc/66/65/10/483666510.db2.gz PTLCCZFWQFHBBS-VIFPVBQESA-N -1 0 362.335 -0.391 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-] ZINC000275095736 485278369 /nfs/dbraw/zinc/27/83/69/485278369.db2.gz KWFWHQLFOYPFJT-NEPJUHHUSA-N -1 0 372.403 -0.507 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1Cc2nc[nH]c2C[C@@H]1C(=O)[O-] ZINC000275095740 485278065 /nfs/dbraw/zinc/27/80/65/485278065.db2.gz KWFWHQLFOYPFJT-NWDGAFQWSA-N -1 0 372.403 -0.507 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-] ZINC000275095746 485278472 /nfs/dbraw/zinc/27/84/72/485278472.db2.gz KWFWHQLFOYPFJT-RYUDHWBXSA-N -1 0 372.403 -0.507 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1Cc2nc[nH]c2C[C@@H]1C(=O)[O-] ZINC000275095749 485278144 /nfs/dbraw/zinc/27/81/44/485278144.db2.gz KWFWHQLFOYPFJT-VXGBXAGGSA-N -1 0 372.403 -0.507 20 0 FBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(=O)[O-] ZINC000275096250 483666469 /nfs/dbraw/zinc/66/64/69/483666469.db2.gz PWJIQPXERMZHPB-LDWIPMOCSA-N -1 0 355.365 -0.659 20 0 FBADRM NC(=O)CC[C@@H](NS(=O)(=O)CCC(=O)OCc1ccccc1)C(=O)[O-] ZINC000275097959 483666513 /nfs/dbraw/zinc/66/65/13/483666513.db2.gz QCPXFSVCXWHRNE-GFCCVEGCSA-N -1 0 372.399 -0.242 20 0 FBADRM NC(=O)CC[C@H](NS(=O)(=O)CCC(=O)OCc1ccccc1)C(=O)[O-] ZINC000275097963 483666300 /nfs/dbraw/zinc/66/63/00/483666300.db2.gz QCPXFSVCXWHRNE-LBPRGKRZSA-N -1 0 372.399 -0.242 20 0 FBADRM COC(=O)c1ccc(CS(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cc1 ZINC000275100865 485278101 /nfs/dbraw/zinc/27/81/01/485278101.db2.gz QLSYRHROTTVQIU-LLVKDONJSA-N -1 0 358.372 -0.389 20 0 FBADRM COC(=O)c1ccc(CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cc1 ZINC000275100866 485278160 /nfs/dbraw/zinc/27/81/60/485278160.db2.gz QLSYRHROTTVQIU-NSHDSACASA-N -1 0 358.372 -0.389 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cc1 ZINC000275102305 485278580 /nfs/dbraw/zinc/27/85/80/485278580.db2.gz QSZUFEQISKECHC-LLVKDONJSA-N -1 0 358.372 -0.140 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cc1 ZINC000275102309 485278399 /nfs/dbraw/zinc/27/83/99/485278399.db2.gz QSZUFEQISKECHC-NSHDSACASA-N -1 0 358.372 -0.140 20 0 FBADRM CCn1cc(S(=O)(=O)N2CC[C@@H](N3C[C@H](C(=O)[O-])CC3=O)C2)cn1 ZINC000275103790 243973865 /nfs/dbraw/zinc/97/38/65/243973865.db2.gz LYHVCOHVKKTENZ-GHMZBOCLSA-N -1 0 356.404 -0.401 20 0 FBADRM CCn1cc(S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)[O-])CC3=O)C2)cn1 ZINC000275103793 483666095 /nfs/dbraw/zinc/66/60/95/483666095.db2.gz LYHVCOHVKKTENZ-MNOVXSKESA-N -1 0 356.404 -0.401 20 0 FBADRM CCn1cc(S(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)cn1 ZINC000275103795 483666446 /nfs/dbraw/zinc/66/64/46/483666446.db2.gz LYHVCOHVKKTENZ-QWRGUYRKSA-N -1 0 356.404 -0.401 20 0 FBADRM CCn1cc(S(=O)(=O)N2CC[C@@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)cn1 ZINC000275103798 483666303 /nfs/dbraw/zinc/66/63/03/483666303.db2.gz LYHVCOHVKKTENZ-WDEREUQCSA-N -1 0 356.404 -0.401 20 0 FBADRM COCCn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2c(C)nn(C)c2C)cn1 ZINC000275103829 483666498 /nfs/dbraw/zinc/66/64/98/483666498.db2.gz RABMGGXRIDHISA-CYBMUJFWSA-N -1 0 371.419 -0.016 20 0 FBADRM COCCn1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2c(C)nn(C)c2C)cn1 ZINC000275103838 483666992 /nfs/dbraw/zinc/66/69/92/483666992.db2.gz RABMGGXRIDHISA-ZDUSSCGKSA-N -1 0 371.419 -0.016 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])s1 ZINC000275105088 483666801 /nfs/dbraw/zinc/66/68/01/483666801.db2.gz MDCXJKZYFYAIGF-LLVKDONJSA-N -1 0 362.429 -0.099 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])s1 ZINC000275105093 534459547 /nfs/dbraw/zinc/45/95/47/534459547.db2.gz MDCXJKZYFYAIGF-NSHDSACASA-N -1 0 362.429 -0.099 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c1 ZINC000275105306 483667015 /nfs/dbraw/zinc/66/70/15/483667015.db2.gz REOQNRNYGGSOEE-NSHDSACASA-N -1 0 366.417 -0.949 20 0 FBADRM NC(=O)CC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000275105423 485278453 /nfs/dbraw/zinc/27/84/53/485278453.db2.gz RFWCPCXGEXSBAE-JTQLQIEISA-N -1 0 358.372 -0.155 20 0 FBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000275105428 485278663 /nfs/dbraw/zinc/27/86/63/485278663.db2.gz RFWCPCXGEXSBAE-SNVBAGLBSA-N -1 0 358.372 -0.155 20 0 FBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000275106994 243973183 /nfs/dbraw/zinc/97/31/83/243973183.db2.gz RNBIMAQPYLZNNK-VIFPVBQESA-N -1 0 370.305 -0.298 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000275107741 483666827 /nfs/dbraw/zinc/66/68/27/483666827.db2.gz MMLGBAIIDFXIBN-NEPJUHHUSA-N -1 0 370.431 -0.267 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000275107742 243972718 /nfs/dbraw/zinc/97/27/18/243972718.db2.gz MMLGBAIIDFXIBN-NWDGAFQWSA-N -1 0 370.431 -0.267 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000275107743 483667122 /nfs/dbraw/zinc/66/71/22/483667122.db2.gz MMLGBAIIDFXIBN-RYUDHWBXSA-N -1 0 370.431 -0.267 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000275107744 243973954 /nfs/dbraw/zinc/97/39/54/243973954.db2.gz MMLGBAIIDFXIBN-VXGBXAGGSA-N -1 0 370.431 -0.267 20 0 FBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC000275107909 483666760 /nfs/dbraw/zinc/66/67/60/483666760.db2.gz JWXFFRQSCIVRTE-LLVKDONJSA-N -1 0 368.463 -0.655 20 0 FBADRM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC000275107910 483667057 /nfs/dbraw/zinc/66/70/57/483667057.db2.gz JWXFFRQSCIVRTE-NSHDSACASA-N -1 0 368.463 -0.655 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](CCOC)C(=O)[O-])c1 ZINC000275108149 483667003 /nfs/dbraw/zinc/66/70/03/483667003.db2.gz RNOGODYPHNZNKJ-LLVKDONJSA-N -1 0 366.417 -0.637 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](CCOC)C(=O)[O-])c1 ZINC000275108152 483666718 /nfs/dbraw/zinc/66/67/18/483666718.db2.gz RNOGODYPHNZNKJ-NSHDSACASA-N -1 0 366.417 -0.637 20 0 FBADRM CCc1nsc(N2CCN(C(=O)CSc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000275110662 483667033 /nfs/dbraw/zinc/66/70/33/483667033.db2.gz KJRGPNPAUDMNQC-UHFFFAOYSA-N -1 0 355.449 -0.047 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ncn(C)c1Cl ZINC000275111729 483667137 /nfs/dbraw/zinc/66/71/37/483667137.db2.gz NABPWKKQHXKJKT-SSDOTTSWSA-N -1 0 352.800 -0.327 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ncn(C)c1Cl ZINC000275111732 483666789 /nfs/dbraw/zinc/66/67/89/483666789.db2.gz NABPWKKQHXKJKT-ZETCQYMHSA-N -1 0 352.800 -0.327 20 0 FBADRM COC(=O)c1cc(F)ccc1S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000275113230 483667096 /nfs/dbraw/zinc/66/70/96/483667096.db2.gz SHPIQPBYSCJDPO-VIFPVBQESA-N -1 0 362.335 -0.391 20 0 FBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cncc(Cl)c1 ZINC000275114961 243976593 /nfs/dbraw/zinc/97/65/93/243976593.db2.gz NIUXRNQIYCSSBA-SECBINFHSA-N -1 0 368.820 -0.003 20 0 FBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cncc(Cl)c1 ZINC000275114975 483666742 /nfs/dbraw/zinc/66/67/42/483666742.db2.gz NIUXRNQIYCSSBA-VIFPVBQESA-N -1 0 368.820 -0.003 20 0 FBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000275116180 485278364 /nfs/dbraw/zinc/27/83/64/485278364.db2.gz NKYHUMOWNTUYKI-SECBINFHSA-N -1 0 351.406 -0.711 20 0 FBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000275116183 485278225 /nfs/dbraw/zinc/27/82/25/485278225.db2.gz NKYHUMOWNTUYKI-VIFPVBQESA-N -1 0 351.406 -0.711 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000275116225 483666584 /nfs/dbraw/zinc/66/65/84/483666584.db2.gz NLQFPDVFCHKZFY-JTQLQIEISA-N -1 0 355.340 -0.163 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000275116228 483667054 /nfs/dbraw/zinc/66/70/54/483667054.db2.gz NLQFPDVFCHKZFY-SNVBAGLBSA-N -1 0 355.340 -0.163 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000275116237 483666808 /nfs/dbraw/zinc/66/68/08/483666808.db2.gz NLZMPEJNGCJTLH-SECBINFHSA-N -1 0 359.385 -0.565 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000275116241 483667133 /nfs/dbraw/zinc/66/71/33/483667133.db2.gz NLZMPEJNGCJTLH-VIFPVBQESA-N -1 0 359.385 -0.565 20 0 FBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)[O-] ZINC000275117742 483667010 /nfs/dbraw/zinc/66/70/10/483667010.db2.gz SSEWDXASHLMQAA-GFCCVEGCSA-N -1 0 369.399 -0.042 20 0 FBADRM NC(=O)CC[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)[O-] ZINC000275117749 243976428 /nfs/dbraw/zinc/97/64/28/243976428.db2.gz SSEWDXASHLMQAA-LBPRGKRZSA-N -1 0 369.399 -0.042 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cc1C ZINC000275118068 483666687 /nfs/dbraw/zinc/66/66/87/483666687.db2.gz SVZAIIJQJHRVFK-LLVKDONJSA-N -1 0 358.372 -0.221 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cc1C ZINC000275118069 483666921 /nfs/dbraw/zinc/66/69/21/483666921.db2.gz SVZAIIJQJHRVFK-NSHDSACASA-N -1 0 358.372 -0.221 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c1 ZINC000275121302 483667108 /nfs/dbraw/zinc/66/71/08/483667108.db2.gz UARAHIBAQNOFBT-NSHDSACASA-N -1 0 351.402 -0.406 20 0 FBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC000275121440 483667078 /nfs/dbraw/zinc/66/70/78/483667078.db2.gz UCCUZIHXQPBSPW-GFCCVEGCSA-N -1 0 369.399 -0.190 20 0 FBADRM CC(C)n1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])cn1 ZINC000275121728 483666904 /nfs/dbraw/zinc/66/69/04/483666904.db2.gz OCYCQKVBIBPNNC-JTQLQIEISA-N -1 0 365.433 -0.274 20 0 FBADRM CC(C)n1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])cn1 ZINC000275121730 483667039 /nfs/dbraw/zinc/66/70/39/483667039.db2.gz OCYCQKVBIBPNNC-SNVBAGLBSA-N -1 0 365.433 -0.274 20 0 FBADRM NC(=O)CC[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC000275122615 483667084 /nfs/dbraw/zinc/66/70/84/483667084.db2.gz UCCUZIHXQPBSPW-LBPRGKRZSA-N -1 0 369.399 -0.190 20 0 FBADRM COc1ccc(C)cc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000275122862 483666926 /nfs/dbraw/zinc/66/69/26/483666926.db2.gz OFEJBHZYBJCETG-JTQLQIEISA-N -1 0 363.413 -0.124 20 0 FBADRM COc1ccc(C)cc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000275122863 243976491 /nfs/dbraw/zinc/97/64/91/243976491.db2.gz OFEJBHZYBJCETG-SNVBAGLBSA-N -1 0 363.413 -0.124 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c(C)c1 ZINC000275124000 243975977 /nfs/dbraw/zinc/97/59/77/243975977.db2.gz UJCSLGXQRHZSLC-JTQLQIEISA-N -1 0 358.372 -0.221 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c(C)c1 ZINC000275124002 483666778 /nfs/dbraw/zinc/66/67/78/483666778.db2.gz UJCSLGXQRHZSLC-SNVBAGLBSA-N -1 0 358.372 -0.221 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cnc21 ZINC000275124054 483666962 /nfs/dbraw/zinc/66/69/62/483666962.db2.gz ULBIWDMTKRLARF-VIFPVBQESA-N -1 0 370.387 -0.188 20 0 FBADRM Nc1cccc(S(=O)(=O)N2CC[C@@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)c1 ZINC000275124087 483667113 /nfs/dbraw/zinc/66/71/13/483667113.db2.gz OIBJNSQQDPFLCO-CMPLNLGQSA-N -1 0 353.400 -0.035 20 0 FBADRM Nc1cccc(S(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)c1 ZINC000275124089 243976582 /nfs/dbraw/zinc/97/65/82/243976582.db2.gz OIBJNSQQDPFLCO-JQWIXIFHSA-N -1 0 353.400 -0.035 20 0 FBADRM Nc1cccc(S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)[O-])CC3=O)C2)c1 ZINC000275124091 483667082 /nfs/dbraw/zinc/66/70/82/483667082.db2.gz OIBJNSQQDPFLCO-PWSUYJOCSA-N -1 0 353.400 -0.035 20 0 FBADRM Nc1cccc(S(=O)(=O)N2CC[C@@H](N3C[C@H](C(=O)[O-])CC3=O)C2)c1 ZINC000275124092 483666917 /nfs/dbraw/zinc/66/69/17/483666917.db2.gz OIBJNSQQDPFLCO-ZYHUDNBSSA-N -1 0 353.400 -0.035 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)c[nH]1 ZINC000275124100 483666623 /nfs/dbraw/zinc/66/66/23/483666623.db2.gz OIEHZMGEECGISJ-GMSGAONNSA-N -1 0 359.360 -0.860 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)c[nH]1 ZINC000275124102 483667086 /nfs/dbraw/zinc/66/70/86/483667086.db2.gz OIEHZMGEECGISJ-OIBJUYFYSA-N -1 0 359.360 -0.860 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)c[nH]1 ZINC000275124103 483667150 /nfs/dbraw/zinc/66/71/50/483667150.db2.gz OIEHZMGEECGISJ-XCBNKYQSSA-N -1 0 359.360 -0.860 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)c[nH]1 ZINC000275124104 483666947 /nfs/dbraw/zinc/66/69/47/483666947.db2.gz OIEHZMGEECGISJ-XVKPBYJWSA-N -1 0 359.360 -0.860 20 0 FBADRM O=C([O-])C1CN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000275125185 483666872 /nfs/dbraw/zinc/66/68/72/483666872.db2.gz MWTVGLNBHPGUPW-UHFFFAOYSA-N -1 0 360.413 -0.168 20 0 FBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1c(Cl)nc2ccccn21)C(=O)[O-] ZINC000275125515 243976209 /nfs/dbraw/zinc/97/62/09/243976209.db2.gz UPNYCNJFZLLKAO-SSDOTTSWSA-N -1 0 360.779 -0.015 20 0 FBADRM NC(=O)CC[C@H](NS(=O)(=O)c1c(Cl)nc2ccccn21)C(=O)[O-] ZINC000275125522 243976071 /nfs/dbraw/zinc/97/60/71/243976071.db2.gz UPNYCNJFZLLKAO-ZETCQYMHSA-N -1 0 360.779 -0.015 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cncc(Cl)c1 ZINC000275126511 483667029 /nfs/dbraw/zinc/66/70/29/483667029.db2.gz OQKDAJJIHFJBQQ-SECBINFHSA-N -1 0 354.793 -0.393 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cncc(Cl)c1 ZINC000275126514 483667089 /nfs/dbraw/zinc/66/70/89/483667089.db2.gz OQKDAJJIHFJBQQ-VIFPVBQESA-N -1 0 354.793 -0.393 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000275126570 483667111 /nfs/dbraw/zinc/66/71/11/483667111.db2.gz ORUXIGAMONRNBR-JTQLQIEISA-N -1 0 355.340 -0.163 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000275126573 483666663 /nfs/dbraw/zinc/66/66/63/483666663.db2.gz ORUXIGAMONRNBR-SNVBAGLBSA-N -1 0 355.340 -0.163 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000275128059 483666818 /nfs/dbraw/zinc/66/68/18/483666818.db2.gz OWEWLZCMONJJAU-SSDOTTSWSA-N -1 0 352.800 -0.327 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000275128060 483666970 /nfs/dbraw/zinc/66/69/70/483666970.db2.gz OWEWLZCMONJJAU-ZETCQYMHSA-N -1 0 352.800 -0.327 20 0 FBADRM CCOc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cn1 ZINC000275128071 483666615 /nfs/dbraw/zinc/66/66/15/483666615.db2.gz OWMSQKSHQVMLBX-JTQLQIEISA-N -1 0 364.401 -0.647 20 0 FBADRM CCOc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cn1 ZINC000275128072 483666652 /nfs/dbraw/zinc/66/66/52/483666652.db2.gz OWMSQKSHQVMLBX-SNVBAGLBSA-N -1 0 364.401 -0.647 20 0 FBADRM COCC[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000275129026 485278348 /nfs/dbraw/zinc/27/83/48/485278348.db2.gz VAKMVPHKOWCKSS-LLVKDONJSA-N -1 0 351.402 -0.142 20 0 FBADRM COCC[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000275129029 485278196 /nfs/dbraw/zinc/27/81/96/485278196.db2.gz VAKMVPHKOWCKSS-NSHDSACASA-N -1 0 351.402 -0.142 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])ccc1F ZINC000275129488 483667563 /nfs/dbraw/zinc/66/75/63/483667563.db2.gz OYKOXACHZUZPOB-JTQLQIEISA-N -1 0 367.376 -0.297 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1F ZINC000275129489 243976182 /nfs/dbraw/zinc/97/61/82/243976182.db2.gz OYKOXACHZUZPOB-SNVBAGLBSA-N -1 0 367.376 -0.297 20 0 FBADRM Cc1nc(S(=O)(=O)N2CC[C@@H](N3C[C@H](C(=O)[O-])CC3=O)C2)cn1C ZINC000275130823 483667674 /nfs/dbraw/zinc/66/76/74/483667674.db2.gz PBMXKVAZFUXFQT-GHMZBOCLSA-N -1 0 356.404 -0.575 20 0 FBADRM Cc1nc(S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)[O-])CC3=O)C2)cn1C ZINC000275130827 483667265 /nfs/dbraw/zinc/66/72/65/483667265.db2.gz PBMXKVAZFUXFQT-MNOVXSKESA-N -1 0 356.404 -0.575 20 0 FBADRM Cc1nc(S(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)cn1C ZINC000275130830 483667505 /nfs/dbraw/zinc/66/75/05/483667505.db2.gz PBMXKVAZFUXFQT-QWRGUYRKSA-N -1 0 356.404 -0.575 20 0 FBADRM Cc1nc(S(=O)(=O)N2CC[C@@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)cn1C ZINC000275130834 243975323 /nfs/dbraw/zinc/97/53/23/243975323.db2.gz PBMXKVAZFUXFQT-WDEREUQCSA-N -1 0 356.404 -0.575 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])cc1 ZINC000275130979 485278237 /nfs/dbraw/zinc/27/82/37/485278237.db2.gz PDPKGCSQZMTMFI-JTQLQIEISA-N -1 0 363.413 -0.042 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])cc1 ZINC000275130982 485278163 /nfs/dbraw/zinc/27/81/63/485278163.db2.gz PDPKGCSQZMTMFI-SNVBAGLBSA-N -1 0 363.413 -0.042 20 0 FBADRM NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(Cl)cnc1N ZINC000275132302 483667308 /nfs/dbraw/zinc/66/73/08/483667308.db2.gz PFRUYZCFQSLVMJ-HTRCEHHLSA-N -1 0 362.795 -0.344 20 0 FBADRM NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(Cl)cnc1N ZINC000275132304 483667386 /nfs/dbraw/zinc/66/73/86/483667386.db2.gz PFRUYZCFQSLVMJ-POYBYMJQSA-N -1 0 362.795 -0.344 20 0 FBADRM NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(Cl)cnc1N ZINC000275132308 483667643 /nfs/dbraw/zinc/66/76/43/483667643.db2.gz PFRUYZCFQSLVMJ-SVRRBLITSA-N -1 0 362.795 -0.344 20 0 FBADRM NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(Cl)cnc1N ZINC000275132313 483667450 /nfs/dbraw/zinc/66/74/50/483667450.db2.gz PFRUYZCFQSLVMJ-XPUUQOCRSA-N -1 0 362.795 -0.344 20 0 FBADRM COCC[C@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)[O-] ZINC000275133826 483667318 /nfs/dbraw/zinc/66/73/18/483667318.db2.gz VURCFEJZHSMLMN-JTQLQIEISA-N -1 0 357.388 -0.355 20 0 FBADRM COCC[C@@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)[O-] ZINC000275133834 483667553 /nfs/dbraw/zinc/66/75/53/483667553.db2.gz VURCFEJZHSMLMN-SNVBAGLBSA-N -1 0 357.388 -0.355 20 0 FBADRM CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c1 ZINC000275135711 485278170 /nfs/dbraw/zinc/27/81/70/485278170.db2.gz WCYSPTDUTPMYEC-VIFPVBQESA-N -1 0 371.820 -0.143 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000275136463 483667712 /nfs/dbraw/zinc/66/77/12/483667712.db2.gz PSCAQYPDOVLUKJ-SECBINFHSA-N -1 0 369.399 -0.219 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000275136470 483667526 /nfs/dbraw/zinc/66/75/26/483667526.db2.gz PSCAQYPDOVLUKJ-VIFPVBQESA-N -1 0 369.399 -0.219 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)cn1C ZINC000275136556 483667676 /nfs/dbraw/zinc/66/76/76/483667676.db2.gz PSLVROZCAISVSY-LLVKDONJSA-N -1 0 370.431 -0.185 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)cn1C ZINC000275136563 483667521 /nfs/dbraw/zinc/66/75/21/483667521.db2.gz PSLVROZCAISVSY-NSHDSACASA-N -1 0 370.431 -0.185 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)c1 ZINC000275138098 536812843 /nfs/dbraw/zinc/81/28/43/536812843.db2.gz PYMOPYNNPMXUQD-BXKDBHETSA-N -1 0 370.383 -0.188 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)c1 ZINC000275138103 483667313 /nfs/dbraw/zinc/66/73/13/483667313.db2.gz PYMOPYNNPMXUQD-CABZTGNLSA-N -1 0 370.383 -0.188 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)c1 ZINC000275138108 483667341 /nfs/dbraw/zinc/66/73/41/483667341.db2.gz PYMOPYNNPMXUQD-JOYOIKCWSA-N -1 0 370.383 -0.188 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)c1 ZINC000275138111 483667584 /nfs/dbraw/zinc/66/75/84/483667584.db2.gz PYMOPYNNPMXUQD-SKDRFNHKSA-N -1 0 370.383 -0.188 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cc(F)c1F ZINC000275138280 483667607 /nfs/dbraw/zinc/66/76/07/483667607.db2.gz WHXLRDNERKIBBN-VIFPVBQESA-N -1 0 353.299 -0.135 20 0 FBADRM COc1ccccc1-n1cc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cn1 ZINC000275140925 483667686 /nfs/dbraw/zinc/66/76/86/483667686.db2.gz WULAJDAIJOCLTF-NSHDSACASA-N -1 0 355.372 -0.005 20 0 FBADRM Nc1ccc(S(=O)(=O)N2CC[C@@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)cc1 ZINC000275142320 243975486 /nfs/dbraw/zinc/97/54/86/243975486.db2.gz QIVFIVOUGBUQSU-CMPLNLGQSA-N -1 0 353.400 -0.035 20 0 FBADRM Nc1ccc(S(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)cc1 ZINC000275142323 243975254 /nfs/dbraw/zinc/97/52/54/243975254.db2.gz QIVFIVOUGBUQSU-JQWIXIFHSA-N -1 0 353.400 -0.035 20 0 FBADRM Nc1ccc(S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)[O-])CC3=O)C2)cc1 ZINC000275142324 483667367 /nfs/dbraw/zinc/66/73/67/483667367.db2.gz QIVFIVOUGBUQSU-PWSUYJOCSA-N -1 0 353.400 -0.035 20 0 FBADRM Nc1ccc(S(=O)(=O)N2CC[C@@H](N3C[C@H](C(=O)[O-])CC3=O)C2)cc1 ZINC000275142327 483667714 /nfs/dbraw/zinc/66/77/14/483667714.db2.gz QIVFIVOUGBUQSU-ZYHUDNBSSA-N -1 0 353.400 -0.035 20 0 FBADRM O=C([O-])C1CN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000275142380 483667644 /nfs/dbraw/zinc/66/76/44/483667644.db2.gz PUDLBUNIZJTZPE-UHFFFAOYSA-N -1 0 354.384 -0.136 20 0 FBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000275143501 483667711 /nfs/dbraw/zinc/66/77/11/483667711.db2.gz XEYDDPWZXDRSSG-KCJUWKMLSA-N -1 0 366.417 -0.951 20 0 FBADRM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CC(C(=O)[O-])C2)c1 ZINC000275144953 483667270 /nfs/dbraw/zinc/66/72/70/483667270.db2.gz QLTKTPCPTDRCEP-UHFFFAOYSA-N -1 0 357.340 -0.035 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(F)ccc1F ZINC000275145563 483667678 /nfs/dbraw/zinc/66/76/78/483667678.db2.gz QWOMYWFSFBKRQO-SECBINFHSA-N -1 0 355.340 -0.163 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(F)ccc1F ZINC000275145574 483667468 /nfs/dbraw/zinc/66/74/68/483667468.db2.gz QWOMYWFSFBKRQO-VIFPVBQESA-N -1 0 355.340 -0.163 20 0 FBADRM Cc1ccc([C@@H](NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(=O)[O-])cc1 ZINC000275147288 483667481 /nfs/dbraw/zinc/66/74/81/483667481.db2.gz XWFFNJAWSKPKGE-GFCCVEGCSA-N -1 0 367.383 -0.503 20 0 FBADRM Cc1ccc([C@H](NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(=O)[O-])cc1 ZINC000275147292 483667224 /nfs/dbraw/zinc/66/72/24/483667224.db2.gz XWFFNJAWSKPKGE-LBPRGKRZSA-N -1 0 367.383 -0.503 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)oc1C ZINC000275148462 243978672 /nfs/dbraw/zinc/97/86/72/243978672.db2.gz RGLSNBVYTWZYHK-PSASIEDQSA-N -1 0 374.371 -0.286 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)oc1C ZINC000275148463 243978588 /nfs/dbraw/zinc/97/85/88/243978588.db2.gz RGLSNBVYTWZYHK-SCZZXKLOSA-N -1 0 374.371 -0.286 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)oc1C ZINC000275148464 483667444 /nfs/dbraw/zinc/66/74/44/483667444.db2.gz RGLSNBVYTWZYHK-WCBMZHEXSA-N -1 0 374.371 -0.286 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)oc1C ZINC000275148465 483667560 /nfs/dbraw/zinc/66/75/60/483667560.db2.gz RGLSNBVYTWZYHK-WPRPVWTQSA-N -1 0 374.371 -0.286 20 0 FBADRM COC(=O)c1ccccc1CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000275148477 483667648 /nfs/dbraw/zinc/66/76/48/483667648.db2.gz YBKLZLSERHKBGV-NSHDSACASA-N -1 0 358.372 -0.389 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1C ZINC000275148511 483667654 /nfs/dbraw/zinc/66/76/54/483667654.db2.gz YCHUJJUMJQOPNN-JTQLQIEISA-N -1 0 358.372 -0.221 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c1C ZINC000275148512 243978257 /nfs/dbraw/zinc/97/82/57/243978257.db2.gz YCHUJJUMJQOPNN-SNVBAGLBSA-N -1 0 358.372 -0.221 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1C ZINC000275149386 483667688 /nfs/dbraw/zinc/66/76/88/483667688.db2.gz RHGDZYJFSKFGDY-LLVKDONJSA-N -1 0 363.413 -0.124 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1C ZINC000275149388 483668238 /nfs/dbraw/zinc/66/82/38/483668238.db2.gz RHGDZYJFSKFGDY-NSHDSACASA-N -1 0 363.413 -0.124 20 0 FBADRM CCn1nccc1S(=O)(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000275150682 483667923 /nfs/dbraw/zinc/66/79/23/483667923.db2.gz ROKOXGHXDVUWQE-LLVKDONJSA-N -1 0 370.431 -0.011 20 0 FBADRM CCn1nccc1S(=O)(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000275150684 483667935 /nfs/dbraw/zinc/66/79/35/483667935.db2.gz ROKOXGHXDVUWQE-NSHDSACASA-N -1 0 370.431 -0.011 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000275151632 243977165 /nfs/dbraw/zinc/97/71/65/243977165.db2.gz RSIXTGLJVXZUAX-LLVKDONJSA-N -1 0 374.396 -0.947 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000275151633 243977506 /nfs/dbraw/zinc/97/75/06/243977506.db2.gz RSIXTGLJVXZUAX-NSHDSACASA-N -1 0 374.396 -0.947 20 0 FBADRM NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc2c1OCCO2 ZINC000275152622 483668202 /nfs/dbraw/zinc/66/82/02/483668202.db2.gz RVNBPNPRUFKYLI-NXEZZACHSA-N -1 0 370.383 -0.203 20 0 FBADRM NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc2c1OCCO2 ZINC000275152623 483668229 /nfs/dbraw/zinc/66/82/29/483668229.db2.gz RVNBPNPRUFKYLI-UWVGGRQHSA-N -1 0 370.383 -0.203 20 0 FBADRM NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc2c1OCCO2 ZINC000275152624 483667976 /nfs/dbraw/zinc/66/79/76/483667976.db2.gz RVNBPNPRUFKYLI-VHSXEESVSA-N -1 0 370.383 -0.203 20 0 FBADRM NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc2c1OCCO2 ZINC000275152626 483667929 /nfs/dbraw/zinc/66/79/29/483667929.db2.gz RVNBPNPRUFKYLI-ZJUUUORDSA-N -1 0 370.383 -0.203 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(F)cc(F)cc1F ZINC000275153813 243979126 /nfs/dbraw/zinc/97/91/26/243979126.db2.gz SBISJSABQJTCPM-SECBINFHSA-N -1 0 373.330 -0.024 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(F)cc(F)cc1F ZINC000275153815 483668020 /nfs/dbraw/zinc/66/80/20/483668020.db2.gz SBISJSABQJTCPM-VIFPVBQESA-N -1 0 373.330 -0.024 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cc1 ZINC000275153845 483668126 /nfs/dbraw/zinc/66/81/26/483668126.db2.gz ZBZJJCOZTMJFDX-NSHDSACASA-N -1 0 366.417 -0.949 20 0 FBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC(C(=O)[O-])C2)cc1F ZINC000275155077 483667890 /nfs/dbraw/zinc/66/78/90/483667890.db2.gz SPVROHKPBMLBCI-UHFFFAOYSA-N -1 0 352.365 -0.098 20 0 FBADRM COc1cc(F)c(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cc1OC ZINC000275156419 485278673 /nfs/dbraw/zinc/27/86/73/485278673.db2.gz ZJYWNSZMPSWJAJ-MRVPVSSYSA-N -1 0 364.351 -0.160 20 0 FBADRM COc1cc(F)c(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cc1OC ZINC000275156425 243977200 /nfs/dbraw/zinc/97/72/00/243977200.db2.gz ZJYWNSZMPSWJAJ-QMMMGPOBSA-N -1 0 364.351 -0.160 20 0 FBADRM NC(=O)C[C@@H](NS(=O)(=O)c1cc2c(cc1Cl)OCCO2)C(=O)[O-] ZINC000275157560 243978594 /nfs/dbraw/zinc/97/85/94/243978594.db2.gz ZPKVXHAWVNDEBS-SSDOTTSWSA-N -1 0 364.763 -0.282 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)c1cc2c(cc1Cl)OCCO2)C(=O)[O-] ZINC000275157561 483667898 /nfs/dbraw/zinc/66/78/98/483667898.db2.gz ZPKVXHAWVNDEBS-ZETCQYMHSA-N -1 0 364.763 -0.282 20 0 FBADRM Cn1cc(S(=O)(=O)N(CC(=O)[O-])Cc2ccccc2)c(=O)n(C)c1=O ZINC000275157856 243978701 /nfs/dbraw/zinc/97/87/01/243978701.db2.gz UBQUKKPCAKZGHB-UHFFFAOYSA-N -1 0 367.383 -0.641 20 0 FBADRM Cc1n[nH]cc1S(=O)(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000275158404 483667957 /nfs/dbraw/zinc/66/79/57/483667957.db2.gz SRZOBDSPYBDVEU-JTQLQIEISA-N -1 0 356.404 -0.196 20 0 FBADRM Cc1n[nH]cc1S(=O)(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000275158406 483667938 /nfs/dbraw/zinc/66/79/38/483667938.db2.gz SRZOBDSPYBDVEU-SNVBAGLBSA-N -1 0 356.404 -0.196 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(F)c(F)cc1F ZINC000275158412 483668022 /nfs/dbraw/zinc/66/80/22/483668022.db2.gz SSDHLWREGUAOPK-SECBINFHSA-N -1 0 373.330 -0.024 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(F)c(F)cc1F ZINC000275158414 483668138 /nfs/dbraw/zinc/66/81/38/483668138.db2.gz SSDHLWREGUAOPK-VIFPVBQESA-N -1 0 373.330 -0.024 20 0 FBADRM CCOC(=O)c1cccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c1 ZINC000275158683 483668319 /nfs/dbraw/zinc/66/83/19/483668319.db2.gz ZRBDRTHGXMETFE-LLVKDONJSA-N -1 0 358.372 -0.140 20 0 FBADRM CCOC(=O)c1cccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1 ZINC000275158688 483668283 /nfs/dbraw/zinc/66/82/83/483668283.db2.gz ZRBDRTHGXMETFE-NSHDSACASA-N -1 0 358.372 -0.140 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC000275159417 483667959 /nfs/dbraw/zinc/66/79/59/483667959.db2.gz SYDXKQCLRNCJTO-JTQLQIEISA-N -1 0 365.433 -0.589 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC000275159419 483668122 /nfs/dbraw/zinc/66/81/22/483668122.db2.gz SYDXKQCLRNCJTO-SNVBAGLBSA-N -1 0 365.433 -0.589 20 0 FBADRM Cn1cc(S(=O)(=O)NCc2ccccc2CC(=O)[O-])c(=O)n(C)c1=O ZINC000275160975 485278270 /nfs/dbraw/zinc/27/82/70/485278270.db2.gz ALECGOHYHLHFLY-UHFFFAOYSA-N -1 0 367.383 -0.810 20 0 FBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)[O-] ZINC000275162533 485278415 /nfs/dbraw/zinc/27/84/15/485278415.db2.gz ASHOEFZREROACL-SECBINFHSA-N -1 0 372.355 -0.184 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)[O-] ZINC000275162534 485278630 /nfs/dbraw/zinc/27/86/30/485278630.db2.gz ASHOEFZREROACL-VIFPVBQESA-N -1 0 372.355 -0.184 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1c2ccccc2C[C@H]1C(=O)[O-] ZINC000275162910 483668097 /nfs/dbraw/zinc/66/80/97/483668097.db2.gz UXFABJWTDSOVFW-LBPRGKRZSA-N -1 0 362.429 -0.229 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000275163600 485278093 /nfs/dbraw/zinc/27/80/93/485278093.db2.gz VBQAIBIUXJQPKB-UHFFFAOYSA-N -1 0 359.404 -0.651 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-])cn1C ZINC000275163713 483668311 /nfs/dbraw/zinc/66/83/11/483668311.db2.gz AYPJLPGUISZCTH-VIFPVBQESA-N -1 0 362.360 -0.504 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)Cc1cccc(C(=O)OC)c1)C(=O)[O-] ZINC000275163727 485278324 /nfs/dbraw/zinc/27/83/24/485278324.db2.gz AYTXQPUMOZAMHD-NSHDSACASA-N -1 0 359.356 -0.091 20 0 FBADRM CCOc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)cn1 ZINC000275165376 483668070 /nfs/dbraw/zinc/66/80/70/483668070.db2.gz UOQLPOZJBIZFKA-GXSJLCMTSA-N -1 0 357.388 -0.181 20 0 FBADRM CCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)cn1 ZINC000275165380 483668124 /nfs/dbraw/zinc/66/81/24/483668124.db2.gz UOQLPOZJBIZFKA-KOLCDFICSA-N -1 0 357.388 -0.181 20 0 FBADRM CCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)cn1 ZINC000275165386 535392637 /nfs/dbraw/zinc/39/26/37/535392637.db2.gz UOQLPOZJBIZFKA-MWLCHTKSSA-N -1 0 357.388 -0.181 20 0 FBADRM CCOc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)cn1 ZINC000275165389 483668114 /nfs/dbraw/zinc/66/81/14/483668114.db2.gz UOQLPOZJBIZFKA-ONGXEEELSA-N -1 0 357.388 -0.181 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000275170162 485278536 /nfs/dbraw/zinc/27/85/36/485278536.db2.gz BYCKDQVKAZKPSO-MGCOHNPYSA-N -1 0 359.404 -0.747 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(C)c1 ZINC000275170738 483668086 /nfs/dbraw/zinc/66/80/86/483668086.db2.gz VIMLYEDNYSWSQM-LLVKDONJSA-N -1 0 363.413 -0.124 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(C)c1 ZINC000275170739 483668181 /nfs/dbraw/zinc/66/81/81/483668181.db2.gz VIMLYEDNYSWSQM-NSHDSACASA-N -1 0 363.413 -0.124 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])o1 ZINC000275171214 483668154 /nfs/dbraw/zinc/66/81/54/483668154.db2.gz CBQVNMCNWKQBDF-SECBINFHSA-N -1 0 357.344 -0.226 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])o1 ZINC000275171219 483668275 /nfs/dbraw/zinc/66/82/75/483668275.db2.gz CBQVNMCNWKQBDF-VIFPVBQESA-N -1 0 357.344 -0.226 20 0 FBADRM CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1F ZINC000275171746 483668038 /nfs/dbraw/zinc/66/80/38/483668038.db2.gz CEWAWIJRIHYPTJ-JTQLQIEISA-N -1 0 370.380 -0.689 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000275171963 483668299 /nfs/dbraw/zinc/66/82/99/483668299.db2.gz VMBFXFAIRFQIDV-SECBINFHSA-N -1 0 373.330 -0.024 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000275171964 483668315 /nfs/dbraw/zinc/66/83/15/483668315.db2.gz VMBFXFAIRFQIDV-VIFPVBQESA-N -1 0 373.330 -0.024 20 0 FBADRM Cn1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000275172855 485278460 /nfs/dbraw/zinc/27/84/60/485278460.db2.gz WPZXRTHVJKMSJT-NSHDSACASA-N -1 0 365.367 -0.711 20 0 FBADRM Cn1cc(S(=O)(=O)NCCCCCCCC(=O)[O-])c(=O)n(C)c1=O ZINC000275172885 485278241 /nfs/dbraw/zinc/27/82/41/485278241.db2.gz CKDUTQKNSBCMQW-UHFFFAOYSA-N -1 0 361.420 -0.213 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)cc1 ZINC000275174199 483667836 /nfs/dbraw/zinc/66/78/36/483667836.db2.gz VUTGLYZPDXRVEJ-CMPLNLGQSA-N -1 0 370.383 -0.188 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)cc1 ZINC000275174202 483667874 /nfs/dbraw/zinc/66/78/74/483667874.db2.gz VUTGLYZPDXRVEJ-JQWIXIFHSA-N -1 0 370.383 -0.188 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)cc1 ZINC000275174206 483668178 /nfs/dbraw/zinc/66/81/78/483668178.db2.gz VUTGLYZPDXRVEJ-PWSUYJOCSA-N -1 0 370.383 -0.188 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)cc1 ZINC000275174209 483668203 /nfs/dbraw/zinc/66/82/03/483668203.db2.gz VUTGLYZPDXRVEJ-ZYHUDNBSSA-N -1 0 370.383 -0.188 20 0 FBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000275174315 483667946 /nfs/dbraw/zinc/66/79/46/483667946.db2.gz CMJJJWDYPUJTFF-SECBINFHSA-N -1 0 370.305 -0.298 20 0 FBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000275174394 243979380 /nfs/dbraw/zinc/97/93/80/243979380.db2.gz VWTJQJWEABHBEL-JTQLQIEISA-N -1 0 355.328 -0.485 20 0 FBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000275174396 483667904 /nfs/dbraw/zinc/66/79/04/483667904.db2.gz VWTJQJWEABHBEL-SNVBAGLBSA-N -1 0 355.328 -0.485 20 0 FBADRM NCC(F)(F)CNC(=O)c1ccc2c(c1)S(=O)(=O)[N-]c1ncnn1-2 ZINC000275174596 483668024 /nfs/dbraw/zinc/66/80/24/483668024.db2.gz UMSFXRPQEYGVAY-UHFFFAOYSA-N -1 0 358.330 -0.295 20 0 FBADRM COCc1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC000275175329 483668065 /nfs/dbraw/zinc/66/80/65/483668065.db2.gz VYQLBWTYDCAXJL-GFCCVEGCSA-N -1 0 363.413 -0.295 20 0 FBADRM COCc1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC000275175330 483668258 /nfs/dbraw/zinc/66/82/58/483668258.db2.gz VYQLBWTYDCAXJL-LBPRGKRZSA-N -1 0 363.413 -0.295 20 0 FBADRM CC(C)N(CCC(=O)[O-])S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000275176617 483668252 /nfs/dbraw/zinc/66/82/52/483668252.db2.gz XGXKBYVEBJEUDW-UHFFFAOYSA-N -1 0 370.387 -0.092 20 0 FBADRM COC(=O)[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000275176818 483667849 /nfs/dbraw/zinc/66/78/49/483667849.db2.gz FVFWHBXYJFTIPS-GFCCVEGCSA-N -1 0 372.399 -0.560 20 0 FBADRM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)CSc1n[nH]c(=O)[n-]1)CC2 ZINC000275177732 483668232 /nfs/dbraw/zinc/66/82/32/483668232.db2.gz XLPRUZMXZBZFJH-UHFFFAOYSA-N -1 0 369.428 -0.313 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1c(F)cccc1F ZINC000275179308 483668664 /nfs/dbraw/zinc/66/86/64/483668664.db2.gz WIMLFQJKVLBUPS-LLVKDONJSA-N -1 0 369.367 -0.022 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1c(F)cccc1F ZINC000275179310 483668553 /nfs/dbraw/zinc/66/85/53/483668553.db2.gz WIMLFQJKVLBUPS-NSHDSACASA-N -1 0 369.367 -0.022 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)(C)C(=O)[O-])cc1 ZINC000275180674 485278738 /nfs/dbraw/zinc/27/87/38/485278738.db2.gz DINUPOUMUGSAET-UHFFFAOYSA-N -1 0 350.418 -0.016 20 0 FBADRM Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cnc1Cl ZINC000275180704 483668623 /nfs/dbraw/zinc/66/86/23/483668623.db2.gz WPDGCCOJZTVNHW-SECBINFHSA-N -1 0 368.820 -0.084 20 0 FBADRM Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cnc1Cl ZINC000275180706 243979297 /nfs/dbraw/zinc/97/92/97/243979297.db2.gz WPDGCCOJZTVNHW-VIFPVBQESA-N -1 0 368.820 -0.084 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)c(C)o1 ZINC000275180729 483668946 /nfs/dbraw/zinc/66/89/46/483668946.db2.gz WPPLRWCWXBTKHM-BDAKNGLRSA-N -1 0 374.371 -0.286 20 0 FBADRM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])ccc2O1 ZINC000275180859 483668530 /nfs/dbraw/zinc/66/85/30/483668530.db2.gz DKRJHFQWOKUTEA-CMPLNLGQSA-N -1 0 359.356 -0.723 20 0 FBADRM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])ccc2O1 ZINC000275180860 483668855 /nfs/dbraw/zinc/66/88/55/483668855.db2.gz DKRJHFQWOKUTEA-JQWIXIFHSA-N -1 0 359.356 -0.723 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)c(C)o1 ZINC000275181783 483668567 /nfs/dbraw/zinc/66/85/67/483668567.db2.gz WPPLRWCWXBTKHM-DTWKUNHWSA-N -1 0 374.371 -0.286 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)c(C)o1 ZINC000275181786 483668833 /nfs/dbraw/zinc/66/88/33/483668833.db2.gz WPPLRWCWXBTKHM-IUCAKERBSA-N -1 0 374.371 -0.286 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)c(C)o1 ZINC000275181788 483668926 /nfs/dbraw/zinc/66/89/26/483668926.db2.gz WPPLRWCWXBTKHM-RKDXNWHRSA-N -1 0 374.371 -0.286 20 0 FBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000275182010 483668942 /nfs/dbraw/zinc/66/89/42/483668942.db2.gz WTIZSWMCHDXCIZ-GFCCVEGCSA-N -1 0 357.388 -0.275 20 0 FBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000275182011 483668503 /nfs/dbraw/zinc/66/85/03/483668503.db2.gz WTIZSWMCHDXCIZ-LBPRGKRZSA-N -1 0 357.388 -0.275 20 0 FBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)[O-] ZINC000275183683 485278513 /nfs/dbraw/zinc/27/85/13/485278513.db2.gz DRSHUXOBZVLOLD-LLVKDONJSA-N -1 0 356.356 -0.134 20 0 FBADRM C[C@H](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000275184090 485278111 /nfs/dbraw/zinc/27/81/11/485278111.db2.gz WYKABXQHWQEKAZ-GHMZBOCLSA-N -1 0 373.431 -0.405 20 0 FBADRM C[C@H](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000275184091 485278318 /nfs/dbraw/zinc/27/83/18/485278318.db2.gz WYKABXQHWQEKAZ-MNOVXSKESA-N -1 0 373.431 -0.405 20 0 FBADRM C[C@@H](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000275184093 485278468 /nfs/dbraw/zinc/27/84/68/485278468.db2.gz WYKABXQHWQEKAZ-QWRGUYRKSA-N -1 0 373.431 -0.405 20 0 FBADRM C[C@@H](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000275184094 485278757 /nfs/dbraw/zinc/27/87/57/485278757.db2.gz WYKABXQHWQEKAZ-WDEREUQCSA-N -1 0 373.431 -0.405 20 0 FBADRM COc1ccsc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000275185663 243979955 /nfs/dbraw/zinc/97/99/55/243979955.db2.gz XEWJTNKGIKMZHU-SSDOTTSWSA-N -1 0 355.415 -0.371 20 0 FBADRM COc1ccsc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000275185669 483668944 /nfs/dbraw/zinc/66/89/44/483668944.db2.gz XEWJTNKGIKMZHU-ZETCQYMHSA-N -1 0 355.415 -0.371 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N3CCOC[C@@H]3C(=O)[O-])cc2n(C)c1=O ZINC000275187999 483668890 /nfs/dbraw/zinc/66/88/90/483668890.db2.gz XLDFYTZIABDAQY-GFCCVEGCSA-N -1 0 355.372 -0.649 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N3CCOC[C@H]3C(=O)[O-])cc2n(C)c1=O ZINC000275188003 483668932 /nfs/dbraw/zinc/66/89/32/483668932.db2.gz XLDFYTZIABDAQY-LBPRGKRZSA-N -1 0 355.372 -0.649 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2)C(=O)[O-] ZINC000275190452 485278609 /nfs/dbraw/zinc/27/86/09/485278609.db2.gz FLWNYRLEYYYCIP-LBPRGKRZSA-N -1 0 370.383 -0.110 20 0 FBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)[O-] ZINC000275191629 485278713 /nfs/dbraw/zinc/27/87/13/485278713.db2.gz FRCNLXMKAAHKES-SECBINFHSA-N -1 0 357.344 -0.459 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)[O-] ZINC000275191630 243981837 /nfs/dbraw/zinc/98/18/37/243981837.db2.gz FRCNLXMKAAHKES-VIFPVBQESA-N -1 0 357.344 -0.459 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N1CCC[C@@H](n2cc(C(=O)[O-])cn2)C1 ZINC000275192370 483668460 /nfs/dbraw/zinc/66/84/60/483668460.db2.gz XYAYTNGZUGXAIG-LLVKDONJSA-N -1 0 365.433 -0.407 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N1CCC[C@H](n2cc(C(=O)[O-])cn2)C1 ZINC000275192373 483668934 /nfs/dbraw/zinc/66/89/34/483668934.db2.gz XYAYTNGZUGXAIG-NSHDSACASA-N -1 0 365.433 -0.407 20 0 FBADRM Cn1nccc1S(=O)(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000275192441 483668923 /nfs/dbraw/zinc/66/89/23/483668923.db2.gz XYZHPQXTMNZJRE-JTQLQIEISA-N -1 0 356.404 -0.494 20 0 FBADRM Cn1nccc1S(=O)(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000275192443 483668839 /nfs/dbraw/zinc/66/88/39/483668839.db2.gz XYZHPQXTMNZJRE-SNVBAGLBSA-N -1 0 356.404 -0.494 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000275193741 483668940 /nfs/dbraw/zinc/66/89/40/483668940.db2.gz YDMAUISXMMSBLJ-LLVKDONJSA-N -1 0 364.401 -0.931 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000275193743 483668517 /nfs/dbraw/zinc/66/85/17/483668517.db2.gz YDMAUISXMMSBLJ-NSHDSACASA-N -1 0 364.401 -0.931 20 0 FBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000275195083 243981721 /nfs/dbraw/zinc/98/17/21/243981721.db2.gz GAMNTZPIAQNPBQ-VIFPVBQESA-N -1 0 370.305 -0.298 20 0 FBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000275197107 483668835 /nfs/dbraw/zinc/66/88/35/483668835.db2.gz GGZKKOSYOIOLQD-NSHDSACASA-N -1 0 356.356 -0.962 20 0 FBADRM Cn1cc(S(=O)(=O)NCCc2nc(CC(=O)[O-])cs2)cc1C(N)=O ZINC000275200343 243981605 /nfs/dbraw/zinc/98/16/05/243981605.db2.gz GRMBEILUNRSVSK-UHFFFAOYSA-N -1 0 372.428 -0.271 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)c1 ZINC000275200562 483668626 /nfs/dbraw/zinc/66/86/26/483668626.db2.gz YWDZRYBMBLUZBZ-GHMZBOCLSA-N -1 0 358.420 -0.122 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)c1 ZINC000275200570 483668868 /nfs/dbraw/zinc/66/88/68/483668868.db2.gz YWDZRYBMBLUZBZ-MNOVXSKESA-N -1 0 358.420 -0.122 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)c1 ZINC000275200581 483668774 /nfs/dbraw/zinc/66/87/74/483668774.db2.gz YWDZRYBMBLUZBZ-QWRGUYRKSA-N -1 0 358.420 -0.122 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)c1 ZINC000275200592 483668521 /nfs/dbraw/zinc/66/85/21/483668521.db2.gz YWDZRYBMBLUZBZ-WDEREUQCSA-N -1 0 358.420 -0.122 20 0 FBADRM CCn1nc(C)c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)c1C ZINC000275200648 483668634 /nfs/dbraw/zinc/66/86/34/483668634.db2.gz YWJVLFDVLLHISU-GHMZBOCLSA-N -1 0 358.420 -0.141 20 0 FBADRM CCn1nc(C)c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)c1C ZINC000275200652 483668631 /nfs/dbraw/zinc/66/86/31/483668631.db2.gz YWJVLFDVLLHISU-MNOVXSKESA-N -1 0 358.420 -0.141 20 0 FBADRM CCn1nc(C)c(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)c1C ZINC000275200658 483668651 /nfs/dbraw/zinc/66/86/51/483668651.db2.gz YWJVLFDVLLHISU-QWRGUYRKSA-N -1 0 358.420 -0.141 20 0 FBADRM CCn1nc(C)c(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)c1C ZINC000275200665 483668823 /nfs/dbraw/zinc/66/88/23/483668823.db2.gz YWJVLFDVLLHISU-WDEREUQCSA-N -1 0 358.420 -0.141 20 0 FBADRM CCn1nccc1S(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000275200810 483668785 /nfs/dbraw/zinc/66/87/85/483668785.db2.gz YYADFHQLNYWFBT-GHMZBOCLSA-N -1 0 356.404 -0.401 20 0 FBADRM CCn1nccc1S(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000275200813 535888453 /nfs/dbraw/zinc/88/84/53/535888453.db2.gz YYADFHQLNYWFBT-MNOVXSKESA-N -1 0 356.404 -0.401 20 0 FBADRM CCn1nccc1S(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000275200817 483668548 /nfs/dbraw/zinc/66/85/48/483668548.db2.gz YYADFHQLNYWFBT-QWRGUYRKSA-N -1 0 356.404 -0.401 20 0 FBADRM CCn1nccc1S(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000275200818 483668795 /nfs/dbraw/zinc/66/87/95/483668795.db2.gz YYADFHQLNYWFBT-WDEREUQCSA-N -1 0 356.404 -0.401 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)OC)cs1)C(=O)[O-] ZINC000275203725 483668936 /nfs/dbraw/zinc/66/89/36/483668936.db2.gz GXYVKHRXKKSYCE-ZETCQYMHSA-N -1 0 351.358 -0.171 20 0 FBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000275205880 243981035 /nfs/dbraw/zinc/98/10/35/243981035.db2.gz HGGGAYSESUCELT-LLVKDONJSA-N -1 0 369.359 -0.653 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000275205882 483668617 /nfs/dbraw/zinc/66/86/17/483668617.db2.gz HGGGAYSESUCELT-NSHDSACASA-N -1 0 369.359 -0.653 20 0 FBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-] ZINC000275206284 243981283 /nfs/dbraw/zinc/98/12/83/243981283.db2.gz HIAQMCCSDHTMBO-LLVKDONJSA-N -1 0 369.359 -0.653 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-] ZINC000275206296 243981867 /nfs/dbraw/zinc/98/18/67/243981867.db2.gz HIAQMCCSDHTMBO-NSHDSACASA-N -1 0 369.359 -0.653 20 0 FBADRM NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000275206369 483669520 /nfs/dbraw/zinc/66/95/20/483669520.db2.gz ZJFXXSTXKDMUPI-CMPLNLGQSA-N -1 0 354.384 -0.039 20 0 FBADRM NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000275206371 483669423 /nfs/dbraw/zinc/66/94/23/483669423.db2.gz ZJFXXSTXKDMUPI-JQWIXIFHSA-N -1 0 354.384 -0.039 20 0 FBADRM NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000275206374 483669273 /nfs/dbraw/zinc/66/92/73/483669273.db2.gz ZJFXXSTXKDMUPI-PWSUYJOCSA-N -1 0 354.384 -0.039 20 0 FBADRM NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000275206376 483669484 /nfs/dbraw/zinc/66/94/84/483669484.db2.gz ZJFXXSTXKDMUPI-ZYHUDNBSSA-N -1 0 354.384 -0.039 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1 ZINC000275206462 483669103 /nfs/dbraw/zinc/66/91/03/483669103.db2.gz ZKJUIPVRYDPMHU-GFCCVEGCSA-N -1 0 361.397 -0.239 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1 ZINC000275206463 483669276 /nfs/dbraw/zinc/66/92/76/483669276.db2.gz ZKJUIPVRYDPMHU-LBPRGKRZSA-N -1 0 361.397 -0.239 20 0 FBADRM CC(C)(CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000275207755 483669346 /nfs/dbraw/zinc/66/93/46/483669346.db2.gz HJUWUIXWEBIJHP-UHFFFAOYSA-N -1 0 364.445 -0.005 20 0 FBADRM NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000275207815 483669442 /nfs/dbraw/zinc/66/94/42/483669442.db2.gz ZMNZBUODRUOHEI-PSASIEDQSA-N -1 0 356.356 -0.246 20 0 FBADRM NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000275207819 483669228 /nfs/dbraw/zinc/66/92/28/483669228.db2.gz ZMNZBUODRUOHEI-SCZZXKLOSA-N -1 0 356.356 -0.246 20 0 FBADRM NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000275207822 483669215 /nfs/dbraw/zinc/66/92/15/483669215.db2.gz ZMNZBUODRUOHEI-WCBMZHEXSA-N -1 0 356.356 -0.246 20 0 FBADRM NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000275207826 483669316 /nfs/dbraw/zinc/66/93/16/483669316.db2.gz ZMNZBUODRUOHEI-WPRPVWTQSA-N -1 0 356.356 -0.246 20 0 FBADRM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000275208226 484828071 /nfs/dbraw/zinc/82/80/71/484828071.db2.gz BYMKMMPGPWEPAD-PSASIEDQSA-N -1 0 374.327 -0.410 20 0 FBADRM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000275208233 484828050 /nfs/dbraw/zinc/82/80/50/484828050.db2.gz BYMKMMPGPWEPAD-SCZZXKLOSA-N -1 0 374.327 -0.410 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C(=O)[O-] ZINC000275212321 483669478 /nfs/dbraw/zinc/66/94/78/483669478.db2.gz HRMKXXPCZQBFBB-NSHDSACASA-N -1 0 356.356 -0.733 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])cn1C ZINC000275212476 483669092 /nfs/dbraw/zinc/66/90/92/483669092.db2.gz HTTZTIGNNDVMNR-LLVKDONJSA-N -1 0 369.403 -0.908 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])cn1C ZINC000275212485 483669295 /nfs/dbraw/zinc/66/92/95/483669295.db2.gz HTTZTIGNNDVMNR-NSHDSACASA-N -1 0 369.403 -0.908 20 0 FBADRM COCCn1cc(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])cn1 ZINC000275214329 483669313 /nfs/dbraw/zinc/66/93/13/483669313.db2.gz HWILWKLGSOQEFE-GFCCVEGCSA-N -1 0 357.392 -0.763 20 0 FBADRM COCCn1cc(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])cn1 ZINC000275214342 483669326 /nfs/dbraw/zinc/66/93/26/483669326.db2.gz HWILWKLGSOQEFE-LBPRGKRZSA-N -1 0 357.392 -0.763 20 0 FBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000275214497 483669398 /nfs/dbraw/zinc/66/93/98/483669398.db2.gz HWXCRAXUQZOZDG-CABZTGNLSA-N -1 0 363.363 -0.035 20 0 FBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000275214504 483669194 /nfs/dbraw/zinc/66/91/94/483669194.db2.gz HWXCRAXUQZOZDG-SKDRFNHKSA-N -1 0 363.363 -0.035 20 0 FBADRM COC(=O)c1cc(OC)c(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])s1 ZINC000275216883 483669476 /nfs/dbraw/zinc/66/94/76/483669476.db2.gz CVNBAYKGZWJPEQ-RNFRBKRXSA-N -1 0 365.385 -0.248 20 0 FBADRM COC(=O)c1cc(OC)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])s1 ZINC000275216908 483669405 /nfs/dbraw/zinc/66/94/05/483669405.db2.gz CVNBAYKGZWJPEQ-RQJHMYQMSA-N -1 0 365.385 -0.248 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000275219087 483669135 /nfs/dbraw/zinc/66/91/35/483669135.db2.gz DBJRWGSRAXXFHQ-GFCCVEGCSA-N -1 0 363.413 -0.046 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000275219094 483669375 /nfs/dbraw/zinc/66/93/75/483669375.db2.gz DBJRWGSRAXXFHQ-LBPRGKRZSA-N -1 0 363.413 -0.046 20 0 FBADRM CCC(=O)NCc1cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])ccc1OC ZINC000275225303 483669511 /nfs/dbraw/zinc/66/95/11/483669511.db2.gz IYTHRSDYZBHTDY-NSHDSACASA-N -1 0 360.388 -0.555 20 0 FBADRM CCC(=O)NCc1cc(S(=O)(=O)N(CCO)CC(=O)[O-])ccc1OC ZINC000275231814 483669332 /nfs/dbraw/zinc/66/93/32/483669332.db2.gz FPMBEKBKSYKMBA-UHFFFAOYSA-N -1 0 374.415 -0.211 20 0 FBADRM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])ccc2O1 ZINC000275234219 483669466 /nfs/dbraw/zinc/66/94/66/483669466.db2.gz JOTKQGSSVKYEPY-PWSUYJOCSA-N -1 0 359.356 -0.723 20 0 FBADRM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])ccc2O1 ZINC000275234232 483669184 /nfs/dbraw/zinc/66/91/84/483669184.db2.gz JOTKQGSSVKYEPY-ZYHUDNBSSA-N -1 0 359.356 -0.723 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C)C(=O)[O-] ZINC000275236075 243983941 /nfs/dbraw/zinc/98/39/41/243983941.db2.gz JRVIWOBGNPJQGP-NSHDSACASA-N -1 0 370.387 -0.039 20 0 FBADRM COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000275236443 536795386 /nfs/dbraw/zinc/79/53/86/536795386.db2.gz GFFCJOCFNKAMBU-JTQLQIEISA-N -1 0 359.356 -0.044 20 0 FBADRM COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000275236452 483669270 /nfs/dbraw/zinc/66/92/70/483669270.db2.gz GFFCJOCFNKAMBU-SNVBAGLBSA-N -1 0 359.356 -0.044 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cc1F ZINC000275240700 483669368 /nfs/dbraw/zinc/66/93/68/483669368.db2.gz GOPXNWGZSJKOJW-JTQLQIEISA-N -1 0 367.376 -0.297 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cc1F ZINC000275240706 483669429 /nfs/dbraw/zinc/66/94/29/483669429.db2.gz GOPXNWGZSJKOJW-SNVBAGLBSA-N -1 0 367.376 -0.297 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc(F)c1F ZINC000275240727 483669067 /nfs/dbraw/zinc/66/90/67/483669067.db2.gz GOXVVWBADFQIKE-LDWIPMOCSA-N -1 0 365.310 -0.040 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc(F)c1F ZINC000275240730 483669105 /nfs/dbraw/zinc/66/91/05/483669105.db2.gz GOXVVWBADFQIKE-LHLIQPBNSA-N -1 0 365.310 -0.040 20 0 FBADRM CCC1(C(=O)[O-])CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000275243502 485279360 /nfs/dbraw/zinc/27/93/60/485279360.db2.gz GWDQMRVFUBJSIJ-UHFFFAOYSA-N -1 0 359.404 -0.651 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c(Br)o1 ZINC000275244678 483670036 /nfs/dbraw/zinc/67/00/36/483670036.db2.gz KPPMLNMUQGMVDF-BYPYZUCNSA-N -1 0 372.149 -0.448 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1csc(C(=O)OC)c1)C(=O)[O-] ZINC000275244697 483669671 /nfs/dbraw/zinc/66/96/71/483669671.db2.gz KPSOVDXZRFSOOR-ZETCQYMHSA-N -1 0 351.358 -0.171 20 0 FBADRM COc1cccc([C@@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-])c1 ZINC000275244740 483670091 /nfs/dbraw/zinc/67/00/91/483670091.db2.gz KQDMAWNZQDVSGC-LLVKDONJSA-N -1 0 351.402 -0.215 20 0 FBADRM COc1cccc([C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-])c1 ZINC000275244750 243983183 /nfs/dbraw/zinc/98/31/83/243983183.db2.gz KQDMAWNZQDVSGC-NSHDSACASA-N -1 0 351.402 -0.215 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1F ZINC000275245952 483669995 /nfs/dbraw/zinc/66/99/95/483669995.db2.gz HHFVHIOYDFXIJO-GMSGAONNSA-N -1 0 367.376 -0.562 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1F ZINC000275245959 483669721 /nfs/dbraw/zinc/66/97/21/483669721.db2.gz HHFVHIOYDFXIJO-XCBNKYQSSA-N -1 0 367.376 -0.562 20 0 FBADRM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000275247726 483669692 /nfs/dbraw/zinc/66/96/92/483669692.db2.gz HKRAUAFCANWJOA-UHFFFAOYSA-N -1 0 366.779 -0.728 20 0 FBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C(=O)[O-] ZINC000275248600 483669681 /nfs/dbraw/zinc/66/96/81/483669681.db2.gz KZVYCRCVDBXLCF-GFCCVEGCSA-N -1 0 370.383 -0.343 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C(=O)[O-] ZINC000275248611 483669841 /nfs/dbraw/zinc/66/98/41/483669841.db2.gz KZVYCRCVDBXLCF-LBPRGKRZSA-N -1 0 370.383 -0.343 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])c1 ZINC000275249231 483670079 /nfs/dbraw/zinc/67/00/79/483670079.db2.gz LCRVZGIYWDRFAS-SECBINFHSA-N -1 0 372.371 -0.019 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])c1 ZINC000275249235 536328594 /nfs/dbraw/zinc/32/85/94/536328594.db2.gz LCRVZGIYWDRFAS-VIFPVBQESA-N -1 0 372.371 -0.019 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])cc2n(C)c1=O ZINC000275250141 483670016 /nfs/dbraw/zinc/67/00/16/483670016.db2.gz HRKIEGIFEDIPMZ-PELKAZGASA-N -1 0 355.372 -0.915 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])cc2n(C)c1=O ZINC000275250151 243983753 /nfs/dbraw/zinc/98/37/53/243983753.db2.gz HRKIEGIFEDIPMZ-PRHODGIISA-N -1 0 355.372 -0.915 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000275254894 662149400 /nfs/dbraw/zinc/14/94/00/662149400.db2.gz IFMDXRPQVVFYFV-PWSUYJOCSA-N -1 0 356.356 -0.148 20 0 FBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000275254907 662149364 /nfs/dbraw/zinc/14/93/64/662149364.db2.gz IFMDXRPQVVFYFV-ZYHUDNBSSA-N -1 0 356.356 -0.148 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1 ZINC000275258840 483669947 /nfs/dbraw/zinc/66/99/47/483669947.db2.gz IPBZOOYEEPMRRA-UHFFFAOYSA-N -1 0 366.417 -0.996 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CSC[C@@H]3C(=O)[O-])cnc21 ZINC000275259100 483669663 /nfs/dbraw/zinc/66/96/63/483669663.db2.gz IRPQAMLQHDSUSU-MRVPVSSYSA-N -1 0 372.384 -0.818 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CSC[C@H]3C(=O)[O-])cnc21 ZINC000275259124 483669825 /nfs/dbraw/zinc/66/98/25/483669825.db2.gz IRPQAMLQHDSUSU-QMMMGPOBSA-N -1 0 372.384 -0.818 20 0 FBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)C(=O)[O-] ZINC000275259348 485279141 /nfs/dbraw/zinc/27/91/41/485279141.db2.gz LZIDPKSRFTVBPZ-LLVKDONJSA-N -1 0 370.383 -0.110 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)C(=O)[O-] ZINC000275259349 485279371 /nfs/dbraw/zinc/27/93/71/485279371.db2.gz LZIDPKSRFTVBPZ-NSHDSACASA-N -1 0 370.383 -0.110 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])CC1 ZINC000275259363 483670093 /nfs/dbraw/zinc/67/00/93/483670093.db2.gz MABQMTAUMCNGIR-LLVKDONJSA-N -1 0 359.404 -0.322 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])CC1 ZINC000275259364 483669855 /nfs/dbraw/zinc/66/98/55/483669855.db2.gz MABQMTAUMCNGIR-NSHDSACASA-N -1 0 359.404 -0.322 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])c1 ZINC000275259396 483670045 /nfs/dbraw/zinc/67/00/45/483670045.db2.gz MBVWVEHRDVQFSX-JTQLQIEISA-N -1 0 357.344 -0.226 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])c1 ZINC000275259400 483670066 /nfs/dbraw/zinc/67/00/66/483670066.db2.gz MBVWVEHRDVQFSX-SNVBAGLBSA-N -1 0 357.344 -0.226 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275261135 483670073 /nfs/dbraw/zinc/67/00/73/483670073.db2.gz MEQXYAODWZHRET-NEPJUHHUSA-N -1 0 374.419 -0.722 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275261138 483670096 /nfs/dbraw/zinc/67/00/96/483670096.db2.gz MEQXYAODWZHRET-NWDGAFQWSA-N -1 0 374.419 -0.722 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275261142 483669791 /nfs/dbraw/zinc/66/97/91/483669791.db2.gz MEQXYAODWZHRET-RYUDHWBXSA-N -1 0 374.419 -0.722 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275261147 483669938 /nfs/dbraw/zinc/66/99/38/483669938.db2.gz MEQXYAODWZHRET-VXGBXAGGSA-N -1 0 374.419 -0.722 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1cccc(F)c1C(=O)OC)C(=O)[O-] ZINC000275261354 243984121 /nfs/dbraw/zinc/98/41/21/243984121.db2.gz MHQFZHZPIMWZLE-QMMMGPOBSA-N -1 0 363.319 -0.093 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])CC1 ZINC000275263530 483670583 /nfs/dbraw/zinc/67/05/83/483670583.db2.gz MOBQCRDMJAOOAS-GFCCVEGCSA-N -1 0 374.419 -0.865 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])CC1 ZINC000275263543 483670469 /nfs/dbraw/zinc/67/04/69/483670469.db2.gz MOBQCRDMJAOOAS-LBPRGKRZSA-N -1 0 374.419 -0.865 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)N(CCO)CC(=O)[O-])c1 ZINC000275265601 243984504 /nfs/dbraw/zinc/98/45/04/243984504.db2.gz JIUBGUSDELVBON-UHFFFAOYSA-N -1 0 351.402 -0.452 20 0 FBADRM Cn1cc(C[C@H](NS(=O)(=O)c2cnn(CC(F)F)c2)C(=O)[O-])cn1 ZINC000275266116 483670420 /nfs/dbraw/zinc/67/04/20/483670420.db2.gz PONNGMBXGXFYCN-JTQLQIEISA-N -1 0 363.346 -0.144 20 0 FBADRM Cn1cc(C[C@@H](NS(=O)(=O)c2cnn(CC(F)F)c2)C(=O)[O-])cn1 ZINC000275266117 483670267 /nfs/dbraw/zinc/67/02/67/483670267.db2.gz PONNGMBXGXFYCN-SNVBAGLBSA-N -1 0 363.346 -0.144 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])cc1 ZINC000275267272 243984550 /nfs/dbraw/zinc/98/45/50/243984550.db2.gz MUWITYWIZLPXBX-SECBINFHSA-N -1 0 372.371 -0.019 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])cc1 ZINC000275267276 243983443 /nfs/dbraw/zinc/98/34/43/243983443.db2.gz MUWITYWIZLPXBX-VIFPVBQESA-N -1 0 372.371 -0.019 20 0 FBADRM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000275267294 483670329 /nfs/dbraw/zinc/67/03/29/483670329.db2.gz MVDBHYCJJMMHRV-VIFPVBQESA-N -1 0 351.402 -0.569 20 0 FBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)[O-] ZINC000275268890 483670521 /nfs/dbraw/zinc/67/05/21/483670521.db2.gz MZBZPTIEARENTH-SECBINFHSA-N -1 0 358.328 -0.194 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)[O-] ZINC000275268897 483670749 /nfs/dbraw/zinc/67/07/49/483670749.db2.gz MZBZPTIEARENTH-VIFPVBQESA-N -1 0 358.328 -0.194 20 0 FBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000275270875 483670371 /nfs/dbraw/zinc/67/03/71/483670371.db2.gz JWXYRHSBNLXXFK-CHWSQXEVSA-N -1 0 357.384 -0.031 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000275270881 483670290 /nfs/dbraw/zinc/67/02/90/483670290.db2.gz JWXYRHSBNLXXFK-OLZOCXBDSA-N -1 0 357.384 -0.031 20 0 FBADRM CCOCCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000275272649 483670645 /nfs/dbraw/zinc/67/06/45/483670645.db2.gz KBSCIFKBEPRYEP-JTQLQIEISA-N -1 0 361.420 -0.128 20 0 FBADRM CCOCCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000275272657 483670500 /nfs/dbraw/zinc/67/05/00/483670500.db2.gz KBSCIFKBEPRYEP-SNVBAGLBSA-N -1 0 361.420 -0.128 20 0 FBADRM COc1ccccc1-n1cc(S(=O)(=O)N(CCO)CC(=O)[O-])cn1 ZINC000275273227 483670712 /nfs/dbraw/zinc/67/07/12/483670712.db2.gz KETVERDQALRSPB-UHFFFAOYSA-N -1 0 355.372 -0.052 20 0 FBADRM Cc1c(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cnn1-c1ccccn1 ZINC000275275394 243985350 /nfs/dbraw/zinc/98/53/50/243985350.db2.gz KIVDBMRJKARINU-GHMZBOCLSA-N -1 0 352.372 -0.216 20 0 FBADRM Cc1c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cnn1-c1ccccn1 ZINC000275275405 483670347 /nfs/dbraw/zinc/67/03/47/483670347.db2.gz KIVDBMRJKARINU-MNOVXSKESA-N -1 0 352.372 -0.216 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000275280098 483670235 /nfs/dbraw/zinc/67/02/35/483670235.db2.gz OBTWXEZQFVVVBP-CYBMUJFWSA-N -1 0 362.404 -0.053 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000275281112 660526624 /nfs/dbraw/zinc/52/66/24/660526624.db2.gz KYZLFHKUTGYQIY-KCJUWKMLSA-N -1 0 358.347 -0.081 20 0 FBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000275281118 660526620 /nfs/dbraw/zinc/52/66/20/660526620.db2.gz KYZLFHKUTGYQIY-LDYMZIIASA-N -1 0 358.347 -0.081 20 0 FBADRM COCC(=O)NC1CN(C(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)C1 ZINC000275283789 660526658 /nfs/dbraw/zinc/52/66/58/660526658.db2.gz NMTLYAGWOAJQNQ-UHFFFAOYSA-N -1 0 355.416 -0.046 20 0 FBADRM COC(=O)c1cc(OC)c(S(=O)(=O)N(CCO)CC(=O)[O-])s1 ZINC000275291896 243985778 /nfs/dbraw/zinc/98/57/78/243985778.db2.gz MEGDQLABXYJAKA-UHFFFAOYSA-N -1 0 353.374 -0.389 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1F ZINC000275291946 483671008 /nfs/dbraw/zinc/67/10/08/483671008.db2.gz MEXNEIVZSOKCMP-UHFFFAOYSA-N -1 0 355.365 -0.703 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)[O-] ZINC000275292032 483670860 /nfs/dbraw/zinc/67/08/60/483670860.db2.gz PPCWVFOSDOLTAE-VIFPVBQESA-N -1 0 371.371 -0.828 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)N(CCO)CC(=O)[O-])ccc1F ZINC000275293737 483670996 /nfs/dbraw/zinc/67/09/96/483670996.db2.gz MIXNZVNIDSPXRG-UHFFFAOYSA-N -1 0 355.365 -0.703 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(N2CCOC2=O)cc1)C(=O)[O-] ZINC000275296313 243986362 /nfs/dbraw/zinc/98/63/62/243986362.db2.gz QAHUGRLXZGNZID-NSHDSACASA-N -1 0 372.355 -0.062 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1)C(=O)[O-] ZINC000275298633 243985469 /nfs/dbraw/zinc/98/54/69/243985469.db2.gz QGQFNKQPSXVUCM-JTQLQIEISA-N -1 0 374.371 -0.521 20 0 FBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1)C(=O)[O-] ZINC000275298638 485279201 /nfs/dbraw/zinc/27/92/01/485279201.db2.gz QGQFNKQPSXVUCM-SNVBAGLBSA-N -1 0 374.371 -0.521 20 0 FBADRM CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000275304013 483671352 /nfs/dbraw/zinc/67/13/52/483671352.db2.gz NJQWOKCTHNCTMW-MRVPVSSYSA-N -1 0 370.387 -0.235 20 0 FBADRM CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000275304025 243987212 /nfs/dbraw/zinc/98/72/12/243987212.db2.gz NJQWOKCTHNCTMW-QMMMGPOBSA-N -1 0 370.387 -0.235 20 0 FBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000275312744 243985901 /nfs/dbraw/zinc/98/59/01/243985901.db2.gz RNBIMAQPYLZNNK-SECBINFHSA-N -1 0 370.305 -0.298 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000275318506 243986245 /nfs/dbraw/zinc/98/62/45/243986245.db2.gz XKNPECBGBJORAK-MRVPVSSYSA-N -1 0 366.346 -0.640 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000275318507 483670975 /nfs/dbraw/zinc/67/09/75/483670975.db2.gz XKNPECBGBJORAK-QMMMGPOBSA-N -1 0 366.346 -0.640 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])s1 ZINC000275320076 483671095 /nfs/dbraw/zinc/67/10/95/483671095.db2.gz PBHXAHXQERQLNU-UHFFFAOYSA-N -1 0 350.418 -0.506 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000275322231 483671212 /nfs/dbraw/zinc/67/12/12/483671212.db2.gz PIIXGSMLIJMBDW-UHFFFAOYSA-N -1 0 351.402 -0.534 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000275322305 243989737 /nfs/dbraw/zinc/98/97/37/243989737.db2.gz PIRBJUILLZRTNY-KOLCDFICSA-N -1 0 363.413 -0.393 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000275322318 483671392 /nfs/dbraw/zinc/67/13/92/483671392.db2.gz PIRBJUILLZRTNY-MWLCHTKSSA-N -1 0 363.413 -0.393 20 0 FBADRM COc1ccc(NC(C)=O)cc1S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000275326054 660526497 /nfs/dbraw/zinc/52/64/97/660526497.db2.gz PUPZDKYKYOYNOW-GHMZBOCLSA-N -1 0 358.372 -0.138 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1cnn(CC(F)(F)F)c1)C(=O)[O-] ZINC000275326233 483670960 /nfs/dbraw/zinc/67/09/60/483670960.db2.gz SXVRBXVTOIAKIN-ZETCQYMHSA-N -1 0 359.282 -0.260 20 0 FBADRM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N(CCO)CC(=O)[O-])ccc2O1 ZINC000275328066 243988492 /nfs/dbraw/zinc/98/84/92/243988492.db2.gz QAQQILORWRIYPR-CYBMUJFWSA-N -1 0 373.383 -0.379 20 0 FBADRM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N(CCO)CC(=O)[O-])ccc2O1 ZINC000275328072 483671420 /nfs/dbraw/zinc/67/14/20/483671420.db2.gz QAQQILORWRIYPR-ZDUSSCGKSA-N -1 0 373.383 -0.379 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N(CC(=O)[O-])Cc1ccccn1 ZINC000275329088 483671302 /nfs/dbraw/zinc/67/13/02/483671302.db2.gz QICCACHSBIKHBF-UHFFFAOYSA-N -1 0 361.420 -0.192 20 0 FBADRM COCCN(C)S(=O)(=O)N1CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC000275337149 483671738 /nfs/dbraw/zinc/67/17/38/483671738.db2.gz RDBDGCNJUQBSBX-UHFFFAOYSA-N -1 0 361.420 -0.082 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1cnn(C2CCOCC2)c1)C(=O)[O-] ZINC000275337858 243988096 /nfs/dbraw/zinc/98/80/96/243988096.db2.gz UXUWAUPHUKREAP-NSHDSACASA-N -1 0 361.376 -0.471 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N(CCO)CC(=O)[O-])cc(F)c1F ZINC000275339042 483671517 /nfs/dbraw/zinc/67/15/17/483671517.db2.gz RJCKLYAZTXQIHG-UHFFFAOYSA-N -1 0 353.299 -0.181 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000275340928 483671636 /nfs/dbraw/zinc/67/16/36/483671636.db2.gz VDYCXYQZZUXTRD-NSHDSACASA-N -1 0 368.408 -0.190 20 0 FBADRM CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000275342348 483671606 /nfs/dbraw/zinc/67/16/06/483671606.db2.gz RTMYUUQORIFRIA-MRVPVSSYSA-N -1 0 370.387 -0.092 20 0 FBADRM CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000275342359 483671742 /nfs/dbraw/zinc/67/17/42/483671742.db2.gz RTMYUUQORIFRIA-QMMMGPOBSA-N -1 0 370.387 -0.092 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1cnn(-c2ccccn2)c1C)C(=O)[O-] ZINC000275344958 483671545 /nfs/dbraw/zinc/67/15/45/483671545.db2.gz VPZPBEDYSVFBJT-JTQLQIEISA-N -1 0 368.371 -0.130 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)NCC(C)(C)C(=O)[O-])c1 ZINC000275347903 483671533 /nfs/dbraw/zinc/67/15/33/483671533.db2.gz VWNDSYWELVFOHZ-UHFFFAOYSA-N -1 0 350.418 -0.016 20 0 FBADRM CC(C)CN(CC(=O)[O-])S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000275350245 483671677 /nfs/dbraw/zinc/67/16/77/483671677.db2.gz SURWWGKCDGQEPC-UHFFFAOYSA-N -1 0 370.387 -0.235 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])ccc1F ZINC000275352408 483671860 /nfs/dbraw/zinc/67/18/60/483671860.db2.gz TVRHWVCKGSQRFR-GMSGAONNSA-N -1 0 367.376 -0.562 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])ccc1F ZINC000275352416 483671710 /nfs/dbraw/zinc/67/17/10/483671710.db2.gz TVRHWVCKGSQRFR-XCBNKYQSSA-N -1 0 367.376 -0.562 20 0 FBADRM Cn1cc(C[C@@H](NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)C(=O)[O-])cn1 ZINC000275353035 483671871 /nfs/dbraw/zinc/67/18/71/483671871.db2.gz WOGIYDSBTQPRQK-CYBMUJFWSA-N -1 0 364.383 -0.111 20 0 FBADRM Cn1cc(C[C@H](NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)C(=O)[O-])cn1 ZINC000275353041 483671561 /nfs/dbraw/zinc/67/15/61/483671561.db2.gz WOGIYDSBTQPRQK-ZDUSSCGKSA-N -1 0 364.383 -0.111 20 0 FBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000275353192 483671654 /nfs/dbraw/zinc/67/16/54/483671654.db2.gz WPSDOEONEQMJHI-VIFPVBQESA-N -1 0 370.305 -0.298 20 0 FBADRM COC(=O)C1(c2ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc2)CC1 ZINC000275354349 483671641 /nfs/dbraw/zinc/67/16/41/483671641.db2.gz UCFGORGEMIVFQT-UHFFFAOYSA-N -1 0 357.384 -0.041 20 0 FBADRM CC(=O)N1CCc2ccc(S(=O)(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])cc21 ZINC000275354362 485279130 /nfs/dbraw/zinc/27/91/30/485279130.db2.gz UCPPTLCOARHALF-BXUZGUMPSA-N -1 0 354.384 -0.196 20 0 FBADRM CC(=O)N1CCc2ccc(S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])cc21 ZINC000275354365 485279569 /nfs/dbraw/zinc/27/95/69/485279569.db2.gz UCPPTLCOARHALF-RISCZKNCSA-N -1 0 354.384 -0.196 20 0 FBADRM COCCOCCS(=O)(=O)NCCc1nc(CC(=O)[O-])cs1 ZINC000275354891 483671627 /nfs/dbraw/zinc/67/16/27/483671627.db2.gz WTJAVDKIMIQJPU-UHFFFAOYSA-N -1 0 352.434 -0.105 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000275355665 483671547 /nfs/dbraw/zinc/67/15/47/483671547.db2.gz UEOVDGUVFWFXII-BXKDBHETSA-N -1 0 363.413 -0.311 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000275355672 243988257 /nfs/dbraw/zinc/98/82/57/243988257.db2.gz UEOVDGUVFWFXII-SKDRFNHKSA-N -1 0 363.413 -0.311 20 0 FBADRM COc1ccccc1N(CC(=O)[O-])S(=O)(=O)CCS(C)(=O)=O ZINC000275355742 537058473 /nfs/dbraw/zinc/05/84/73/537058473.db2.gz UFFUESGCJQPLAD-UHFFFAOYSA-N -1 0 351.402 -0.039 20 0 FBADRM CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N(CCO)CC(=O)[O-])c1 ZINC000275358894 485279254 /nfs/dbraw/zinc/27/92/54/485279254.db2.gz USNZXRLPXQFWKQ-UHFFFAOYSA-N -1 0 371.820 -0.189 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCC(C)(C)C(=O)[O-])cnc21 ZINC000275359735 483671601 /nfs/dbraw/zinc/67/16/01/483671601.db2.gz XIAAWOKPDBTIDI-UHFFFAOYSA-N -1 0 356.360 -0.577 20 0 FBADRM Cn1cc(S(=O)(=O)N(CCC(=O)[O-])C2CCCC2)c(=O)n(C)c1=O ZINC000275360489 483671937 /nfs/dbraw/zinc/67/19/37/483671937.db2.gz UXPDITQTWHDTMA-UHFFFAOYSA-N -1 0 359.404 -0.508 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N1CC(=O)Nc2cc(C(=O)[O-])ccc21 ZINC000275360740 483671828 /nfs/dbraw/zinc/67/18/28/483671828.db2.gz UYNLWBCEMNXION-UHFFFAOYSA-N -1 0 362.385 -0.482 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])cc1 ZINC000275361242 483671682 /nfs/dbraw/zinc/67/16/82/483671682.db2.gz XLRKGRJBFXNBNT-CYBMUJFWSA-N -1 0 366.399 -0.246 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])cc1 ZINC000275361245 483671955 /nfs/dbraw/zinc/67/19/55/483671955.db2.gz XLRKGRJBFXNBNT-ZDUSSCGKSA-N -1 0 366.399 -0.246 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NCc1ccccc1CC(=O)[O-] ZINC000275361364 243989281 /nfs/dbraw/zinc/98/92/81/243989281.db2.gz XMRLTDVVQVOFTJ-UHFFFAOYSA-N -1 0 364.445 -0.328 20 0 FBADRM COc1cc(OC)c(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c(OC)c1 ZINC000275361874 483671943 /nfs/dbraw/zinc/67/19/43/483671943.db2.gz ITLNMSVWVJEIER-UHFFFAOYSA-N -1 0 359.360 -0.200 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](CCC(=O)OC)C(=O)[O-])cn1C ZINC000275362774 243989574 /nfs/dbraw/zinc/98/95/74/243989574.db2.gz XOYZLRCAZOLNSX-SECBINFHSA-N -1 0 361.376 -0.931 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])cn1C ZINC000275362775 485279829 /nfs/dbraw/zinc/27/98/29/485279829.db2.gz XOYZLRCAZOLNSX-VIFPVBQESA-N -1 0 361.376 -0.931 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(F)cc1C(=O)OC)C(=O)[O-] ZINC000275364324 483671886 /nfs/dbraw/zinc/67/18/86/483671886.db2.gz XUWRWOMQVMCMKC-VIFPVBQESA-N -1 0 363.319 -0.093 20 0 FBADRM CN([C@@H](C(=O)[O-])c1ccccc1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000275367972 483671597 /nfs/dbraw/zinc/67/15/97/483671597.db2.gz VWNUJYOJYPMGHX-GFCCVEGCSA-N -1 0 367.383 -0.470 20 0 FBADRM CN([C@H](C(=O)[O-])c1ccccc1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000275367976 483671699 /nfs/dbraw/zinc/67/16/99/483671699.db2.gz VWNUJYOJYPMGHX-LBPRGKRZSA-N -1 0 367.383 -0.470 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])c[nH]1 ZINC000275369135 483671585 /nfs/dbraw/zinc/67/15/85/483671585.db2.gz YIKHIDBTQZCVAD-JTQLQIEISA-N -1 0 356.360 -0.491 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])c[nH]1 ZINC000275369137 483671929 /nfs/dbraw/zinc/67/19/29/483671929.db2.gz YIKHIDBTQZCVAD-SNVBAGLBSA-N -1 0 356.360 -0.491 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1cc(F)ccc1C(=O)OC)C(=O)[O-] ZINC000275369232 483671948 /nfs/dbraw/zinc/67/19/48/483671948.db2.gz YJYIKUIRNLDXSG-VIFPVBQESA-N -1 0 363.319 -0.093 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N[C@H](CCC(=O)OC)C(=O)[O-])cc1 ZINC000275369494 485279244 /nfs/dbraw/zinc/27/92/44/485279244.db2.gz YMWSWCSUVPBRFZ-LLVKDONJSA-N -1 0 358.372 -0.269 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])cc1 ZINC000275369498 243989709 /nfs/dbraw/zinc/98/97/09/243989709.db2.gz YMWSWCSUVPBRFZ-NSHDSACASA-N -1 0 358.372 -0.269 20 0 FBADRM CC(=O)N1CCc2cc(S(=O)(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])ccc21 ZINC000275369730 485279452 /nfs/dbraw/zinc/27/94/52/485279452.db2.gz WDIQGLLSHRAABU-BXUZGUMPSA-N -1 0 354.384 -0.196 20 0 FBADRM COC(=O)Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-])s1 ZINC000275372327 483671567 /nfs/dbraw/zinc/67/15/67/483671567.db2.gz YVIWRTYSDLIBPP-QMMMGPOBSA-N -1 0 365.385 -0.242 20 0 FBADRM CCN(CC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000275372476 483671892 /nfs/dbraw/zinc/67/18/92/483671892.db2.gz WKQRMETZGLXDBG-UHFFFAOYSA-N -1 0 350.418 -0.299 20 0 FBADRM O=C([O-])CN(CCO)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000275372989 483671633 /nfs/dbraw/zinc/67/16/33/483671633.db2.gz WOICLFMLFRIWPS-UHFFFAOYSA-N -1 0 370.383 -0.619 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c(C(=O)OC)s1 ZINC000275377758 483672577 /nfs/dbraw/zinc/67/25/77/483672577.db2.gz ZJELDBUXXFAYNH-YFKPBYRVSA-N -1 0 367.357 -0.955 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N(CC(=O)[O-])Cc1ccccn1 ZINC000275378300 483672425 /nfs/dbraw/zinc/67/24/25/483672425.db2.gz XANBGZGHNJMQCF-UHFFFAOYSA-N -1 0 365.433 -0.763 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCCC[C@H]2CCC(=O)[O-])c(=O)n(C)c1=O ZINC000275380207 485279307 /nfs/dbraw/zinc/27/93/07/485279307.db2.gz XITWQHWYAKKLGJ-JTQLQIEISA-N -1 0 359.404 -0.508 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCCC[C@@H]2CCC(=O)[O-])c(=O)n(C)c1=O ZINC000275380211 243988335 /nfs/dbraw/zinc/98/83/35/243988335.db2.gz XITWQHWYAKKLGJ-SNVBAGLBSA-N -1 0 359.404 -0.508 20 0 FBADRM COC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000275380348 484831857 /nfs/dbraw/zinc/83/18/57/484831857.db2.gz XMHRLMIQXHJPTN-NXEZZACHSA-N -1 0 359.356 -0.310 20 0 FBADRM COC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000275380351 484074319 /nfs/dbraw/zinc/07/43/19/484074319.db2.gz XMHRLMIQXHJPTN-ZJUUUORDSA-N -1 0 359.356 -0.310 20 0 FBADRM O=C([O-])CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000275381687 483672375 /nfs/dbraw/zinc/67/23/75/483672375.db2.gz XNTPIXRAMBVZRR-UHFFFAOYSA-N -1 0 372.399 -0.773 20 0 FBADRM C[C@H](O)CN1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000275434655 483673127 /nfs/dbraw/zinc/67/31/27/483673127.db2.gz ROHOXJXRQDUSOU-VIFPVBQESA-N -1 0 369.403 -0.877 20 0 FBADRM C[C@](CO)(CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)CC(=O)[O-] ZINC000275528742 483675233 /nfs/dbraw/zinc/67/52/33/483675233.db2.gz BONZTEQUSQCHRQ-CYBMUJFWSA-N -1 0 365.429 -0.158 20 0 FBADRM C[C@@](CO)(CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)CC(=O)[O-] ZINC000275528746 483675130 /nfs/dbraw/zinc/67/51/30/483675130.db2.gz BONZTEQUSQCHRQ-ZDUSSCGKSA-N -1 0 365.429 -0.158 20 0 FBADRM CCO[C@@H]1C[C@](NC(=O)c2cnc([O-])n(C)c2=O)(C(=O)OC)C1(C)C ZINC000275566152 244000198 /nfs/dbraw/zinc/00/01/98/244000198.db2.gz JDPRMGLZYZQVHY-HWPZZCPQSA-N -1 0 353.375 -0.038 20 0 FBADRM CCO[C@H]1C[C@@](NC(=O)c2cnc([O-])n(C)c2=O)(C(=O)OC)C1(C)C ZINC000275566159 244001228 /nfs/dbraw/zinc/00/12/28/244001228.db2.gz JDPRMGLZYZQVHY-MGPLVRAMSA-N -1 0 353.375 -0.038 20 0 FBADRM CCO[C@H]1C[C@](NC(=O)c2cnc([O-])n(C)c2=O)(C(=O)OC)C1(C)C ZINC000275566166 243999915 /nfs/dbraw/zinc/99/99/15/243999915.db2.gz JDPRMGLZYZQVHY-QFYYESIMSA-N -1 0 353.375 -0.038 20 0 FBADRM CCO[C@@H]1C[C@@](NC(=O)c2cnc([O-])n(C)c2=O)(C(=O)OC)C1(C)C ZINC000275566173 535444508 /nfs/dbraw/zinc/44/45/08/535444508.db2.gz JDPRMGLZYZQVHY-QLJPJBMISA-N -1 0 353.375 -0.038 20 0 FBADRM C[C@](CO)(CNS(=O)(=O)c1cccc(-n2cnnn2)c1)CC(=O)[O-] ZINC000275570385 244001145 /nfs/dbraw/zinc/00/11/45/244001145.db2.gz GJXDRWODHFXZKH-CYBMUJFWSA-N -1 0 355.376 -0.586 20 0 FBADRM C[C@@](CO)(CNS(=O)(=O)c1cccc(-n2cnnn2)c1)CC(=O)[O-] ZINC000275570388 244001203 /nfs/dbraw/zinc/00/12/03/244001203.db2.gz GJXDRWODHFXZKH-ZDUSSCGKSA-N -1 0 355.376 -0.586 20 0 FBADRM C[C@@](CO)(CNS(=O)(=O)c1cnn(C2CCOCC2)c1)CC(=O)[O-] ZINC000275578781 244001123 /nfs/dbraw/zinc/00/11/23/244001123.db2.gz HBADYNRMZJCSCK-AWEZNQCLSA-N -1 0 361.420 -0.014 20 0 FBADRM C[C@](CO)(CNS(=O)(=O)c1cnn(C2CCOCC2)c1)CC(=O)[O-] ZINC000275578784 243999870 /nfs/dbraw/zinc/99/98/70/243999870.db2.gz HBADYNRMZJCSCK-CQSZACIVSA-N -1 0 361.420 -0.014 20 0 FBADRM Cn1c2ccc(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])cc2n(C)c1=O ZINC000275636313 244005305 /nfs/dbraw/zinc/00/53/05/244005305.db2.gz MRNWDFJXECKILS-HNNXBMFYSA-N -1 0 371.415 -0.371 20 0 FBADRM Cn1c2ccc(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])cc2n(C)c1=O ZINC000275636316 244005197 /nfs/dbraw/zinc/00/51/97/244005197.db2.gz MRNWDFJXECKILS-OAHLLOKOSA-N -1 0 371.415 -0.371 20 0 FBADRM COc1n[nH]c([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)n1 ZINC000275636324 244005391 /nfs/dbraw/zinc/00/53/91/244005391.db2.gz WGAMIWPYZYDGTL-UHFFFAOYSA-N -1 0 361.405 -0.136 20 0 FBADRM C[C@](CO)(CNS(=O)(=O)c1ccc(-n2cnnn2)cc1)CC(=O)[O-] ZINC000275658886 244006086 /nfs/dbraw/zinc/00/60/86/244006086.db2.gz OQUYZIWYSGVQNO-CYBMUJFWSA-N -1 0 355.376 -0.586 20 0 FBADRM C[C@@](CO)(CNS(=O)(=O)c1ccc(-n2cnnn2)cc1)CC(=O)[O-] ZINC000275658892 244005934 /nfs/dbraw/zinc/00/59/34/244005934.db2.gz OQUYZIWYSGVQNO-ZDUSSCGKSA-N -1 0 355.376 -0.586 20 0 FBADRM C[C@](CO)(CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)CC(=O)[O-] ZINC000275676741 244004937 /nfs/dbraw/zinc/00/49/37/244004937.db2.gz QEXAVVGILHDXAH-CYBMUJFWSA-N -1 0 365.429 -0.158 20 0 FBADRM C[C@@](CO)(CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)CC(=O)[O-] ZINC000275676745 244006375 /nfs/dbraw/zinc/00/63/75/244006375.db2.gz QEXAVVGILHDXAH-ZDUSSCGKSA-N -1 0 365.429 -0.158 20 0 FBADRM C[C@@H](O)CN1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000275695845 244008744 /nfs/dbraw/zinc/00/87/44/244008744.db2.gz ROHOXJXRQDUSOU-SECBINFHSA-N -1 0 369.403 -0.877 20 0 FBADRM COCCN(C)CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275731004 244012545 /nfs/dbraw/zinc/01/25/45/244012545.db2.gz XPMOXPNABNTTJJ-UHFFFAOYSA-N -1 0 357.392 -0.708 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])cn1C ZINC000275766263 244014713 /nfs/dbraw/zinc/01/47/13/244014713.db2.gz SLDYULWYNRCPLI-AWEZNQCLSA-N -1 0 362.404 -0.047 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])cn1C ZINC000275766274 244014704 /nfs/dbraw/zinc/01/47/04/244014704.db2.gz SLDYULWYNRCPLI-CQSZACIVSA-N -1 0 362.404 -0.047 20 0 FBADRM COc1ccc(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])cc1C(N)=O ZINC000275772767 244014684 /nfs/dbraw/zinc/01/46/84/244014684.db2.gz TXLPLULDEPCSBG-AWEZNQCLSA-N -1 0 360.388 -0.454 20 0 FBADRM COc1ccc(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])cc1C(N)=O ZINC000275772773 244014778 /nfs/dbraw/zinc/01/47/78/244014778.db2.gz TXLPLULDEPCSBG-CQSZACIVSA-N -1 0 360.388 -0.454 20 0 FBADRM COC(=O)[C@H]([N-]S(=O)(=O)CCC(=O)OCc1ccccc1)[C@@H](C)O ZINC000275822099 244020027 /nfs/dbraw/zinc/02/00/27/244020027.db2.gz SHFKVABQRSLEEA-BXUZGUMPSA-N -1 0 359.400 -0.038 20 0 FBADRM COC(=O)[C@@H]([N-]S(=O)(=O)CCC(=O)OCc1ccccc1)[C@H](C)O ZINC000275822103 244019534 /nfs/dbraw/zinc/01/95/34/244019534.db2.gz SHFKVABQRSLEEA-FZMZJTMJSA-N -1 0 359.400 -0.038 20 0 FBADRM COC(=O)[C@@H]([N-]S(=O)(=O)CCC(=O)OCc1ccccc1)[C@@H](C)O ZINC000275822107 244019999 /nfs/dbraw/zinc/01/99/99/244019999.db2.gz SHFKVABQRSLEEA-RISCZKNCSA-N -1 0 359.400 -0.038 20 0 FBADRM COC(=O)[C@H]([N-]S(=O)(=O)CCC(=O)OCc1ccccc1)[C@H](C)O ZINC000275822110 244020080 /nfs/dbraw/zinc/02/00/80/244020080.db2.gz SHFKVABQRSLEEA-SMDDNHRTSA-N -1 0 359.400 -0.038 20 0 FBADRM C[C@@](CO)(CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)CC(=O)[O-] ZINC000275825936 244019583 /nfs/dbraw/zinc/01/95/83/244019583.db2.gz ZPLBYBORCUDQGR-HNNXBMFYSA-N -1 0 356.400 -0.276 20 0 FBADRM C[C@](CO)(CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)CC(=O)[O-] ZINC000275825938 244018431 /nfs/dbraw/zinc/01/84/31/244018431.db2.gz ZPLBYBORCUDQGR-OAHLLOKOSA-N -1 0 356.400 -0.276 20 0 FBADRM Cn1c(=O)oc2cc(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])ccc21 ZINC000275827637 244020397 /nfs/dbraw/zinc/02/03/97/244020397.db2.gz ZVEJCXNFXXIWQJ-AWEZNQCLSA-N -1 0 358.372 -0.117 20 0 FBADRM Cn1c(=O)oc2cc(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])ccc21 ZINC000275827639 244018375 /nfs/dbraw/zinc/01/83/75/244018375.db2.gz ZVEJCXNFXXIWQJ-CQSZACIVSA-N -1 0 358.372 -0.117 20 0 FBADRM CNS(=O)(=O)CCNC(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC000275830625 244019741 /nfs/dbraw/zinc/01/97/41/244019741.db2.gz CEWALTOHUWNPSF-UHFFFAOYSA-N -1 0 354.388 -0.135 20 0 FBADRM COC(=O)[C@H]1CS(=O)(=O)CCN1CC(=O)[N-]OCc1ccccc1 ZINC000275832074 244019504 /nfs/dbraw/zinc/01/95/04/244019504.db2.gz SDOWSUOJCVFGOZ-CYBMUJFWSA-N -1 0 356.400 -0.494 20 0 FBADRM COC(=O)[C@@H]1CS(=O)(=O)CCN1CC(=O)[N-]OCc1ccccc1 ZINC000275832076 536501877 /nfs/dbraw/zinc/50/18/77/536501877.db2.gz SDOWSUOJCVFGOZ-ZDUSSCGKSA-N -1 0 356.400 -0.494 20 0 FBADRM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[N-]N2CCCNC2=O)c1 ZINC000275846737 536878405 /nfs/dbraw/zinc/87/84/05/536878405.db2.gz GBRDLPHJDNGRQZ-UHFFFAOYSA-N -1 0 371.371 -0.132 20 0 FBADRM CNS(=O)(=O)CCNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000275870508 244021916 /nfs/dbraw/zinc/02/19/16/244021916.db2.gz KFNBEWBLLUGSJC-UHFFFAOYSA-N -1 0 353.397 -0.524 20 0 FBADRM CNS(=O)(=O)CCNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000275888304 244024832 /nfs/dbraw/zinc/02/48/32/244024832.db2.gz NJAAEZDNFDNKOI-UHFFFAOYSA-N -1 0 370.456 -0.259 20 0 FBADRM COC[C@@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@@H](C)O1 ZINC000275899636 244023421 /nfs/dbraw/zinc/02/34/21/244023421.db2.gz MXZASYQUBAQXIS-BDAKNGLRSA-N -1 0 370.387 -0.140 20 0 FBADRM COC[C@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@H](C)O1 ZINC000275899643 244024925 /nfs/dbraw/zinc/02/49/25/244024925.db2.gz MXZASYQUBAQXIS-DTWKUNHWSA-N -1 0 370.387 -0.140 20 0 FBADRM COC[C@@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@H](C)O1 ZINC000275899651 244024428 /nfs/dbraw/zinc/02/44/28/244024428.db2.gz MXZASYQUBAQXIS-IUCAKERBSA-N -1 0 370.387 -0.140 20 0 FBADRM COC[C@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@@H](C)O1 ZINC000275899658 244023465 /nfs/dbraw/zinc/02/34/65/244023465.db2.gz MXZASYQUBAQXIS-RKDXNWHRSA-N -1 0 370.387 -0.140 20 0 FBADRM CNS(=O)(=O)CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000275904911 536473595 /nfs/dbraw/zinc/47/35/95/536473595.db2.gz QJMGPEPRZRQZAP-UHFFFAOYSA-N -1 0 356.429 -0.499 20 0 FBADRM CNS(=O)(=O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000275904914 244025970 /nfs/dbraw/zinc/02/59/70/244025970.db2.gz QJQJRGZHGHUHJE-MRVPVSSYSA-N -1 0 355.463 -0.920 20 0 FBADRM CNS(=O)(=O)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000275904917 244027367 /nfs/dbraw/zinc/02/73/67/244027367.db2.gz QJQJRGZHGHUHJE-QMMMGPOBSA-N -1 0 355.463 -0.920 20 0 FBADRM CNS(=O)(=O)CCNS(=O)(=O)c1ccc(F)cc1C(=O)OC ZINC000275905607 244026371 /nfs/dbraw/zinc/02/63/71/244026371.db2.gz NTKJEYBGEYHVHY-UHFFFAOYSA-N -1 0 354.381 -0.560 20 0 FBADRM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]N1CCCNC1=O ZINC000275923264 244027169 /nfs/dbraw/zinc/02/71/69/244027169.db2.gz ULYNRBCCFQWTLX-UHFFFAOYSA-N -1 0 362.795 -0.187 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]N2CCCNC2=O)cc1 ZINC000275930841 536113381 /nfs/dbraw/zinc/11/33/81/536113381.db2.gz VZEGPZUFPOUQTE-UHFFFAOYSA-N -1 0 362.433 -0.455 20 0 FBADRM CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)[N-]OC)c2)CC1 ZINC000275932724 535725160 /nfs/dbraw/zinc/72/51/60/535725160.db2.gz BIBDNHNOWGGWKU-UHFFFAOYSA-N -1 0 370.431 -0.371 20 0 FBADRM CCO[N-]C(=O)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 ZINC000275936397 244028966 /nfs/dbraw/zinc/02/89/66/244028966.db2.gz BPSOUJPEOWTNGL-UHFFFAOYSA-N -1 0 364.402 -0.012 20 0 FBADRM CCO[N-]C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000275942386 244028748 /nfs/dbraw/zinc/02/87/48/244028748.db2.gz CKBYSJQQVCYJAS-UHFFFAOYSA-N -1 0 370.431 -0.371 20 0 FBADRM COC(=O)c1c2c(sc1NC(=O)C(=O)[N-]OCC(N)=O)CCCC2 ZINC000275944399 536859895 /nfs/dbraw/zinc/85/98/95/536859895.db2.gz COFVTWWDILUHKB-UHFFFAOYSA-N -1 0 355.372 -0.115 20 0 FBADRM COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)[N-]OCC(N)=O)c1 ZINC000275946489 244029648 /nfs/dbraw/zinc/02/96/48/244029648.db2.gz CUTUYNVCPGGOSC-UHFFFAOYSA-N -1 0 353.331 -0.268 20 0 FBADRM CCO[N-]C(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000275946684 244030069 /nfs/dbraw/zinc/03/00/69/244030069.db2.gz CWXHEEAHLAPMKA-AWEZNQCLSA-N -1 0 363.370 -0.293 20 0 FBADRM CCO[N-]C(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000275946690 244029511 /nfs/dbraw/zinc/02/95/11/244029511.db2.gz CWXHEEAHLAPMKA-CQSZACIVSA-N -1 0 363.370 -0.293 20 0 FBADRM O=C1NCCCN1[N-]S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000275947969 244029683 /nfs/dbraw/zinc/02/96/83/244029683.db2.gz YWOGNFKDEXCAJG-UHFFFAOYSA-N -1 0 374.444 -0.264 20 0 FBADRM CNS(=O)(=O)CCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000275980232 244032248 /nfs/dbraw/zinc/03/22/48/244032248.db2.gz MRRZPRAYRDMASN-UHFFFAOYSA-N -1 0 356.429 -0.649 20 0 FBADRM C[C@H]1CN(Cc2ccccc2NC(=O)C(=O)[N-]OCC(N)=O)C[C@H](C)O1 ZINC000276104278 244042147 /nfs/dbraw/zinc/04/21/47/244042147.db2.gz JLOXRVWYFMWPKR-RYUDHWBXSA-N -1 0 364.402 -0.233 20 0 FBADRM C[C@@H]1CN(Cc2ccccc2NC(=O)C(=O)[N-]OCC(N)=O)C[C@H](C)O1 ZINC000276104282 244041119 /nfs/dbraw/zinc/04/11/19/244041119.db2.gz JLOXRVWYFMWPKR-TXEJJXNPSA-N -1 0 364.402 -0.233 20 0 FBADRM C[C@@H]1CN(Cc2ccccc2NC(=O)C(=O)[N-]OCC(N)=O)C[C@@H](C)O1 ZINC000276104285 244042830 /nfs/dbraw/zinc/04/28/30/244042830.db2.gz JLOXRVWYFMWPKR-VXGBXAGGSA-N -1 0 364.402 -0.233 20 0 FBADRM COC(=O)CCSCc1cccc(NC(=O)C(=O)[N-]OCC(N)=O)c1 ZINC000276109765 244041437 /nfs/dbraw/zinc/04/14/37/244041437.db2.gz KCGVSPSDCOPJBJ-UHFFFAOYSA-N -1 0 369.399 -0.046 20 0 FBADRM CCO[N-]C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000276125709 244043371 /nfs/dbraw/zinc/04/33/71/244043371.db2.gz MDSZKBSBEFXRED-UHFFFAOYSA-N -1 0 370.431 -0.371 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl ZINC000276139507 244045064 /nfs/dbraw/zinc/04/50/64/244045064.db2.gz NNJJIQOLNZQVCW-UHFFFAOYSA-N -1 0 354.750 -0.062 20 0 FBADRM Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000276141818 244044170 /nfs/dbraw/zinc/04/41/70/244044170.db2.gz NYMUNQQSJILTGH-UHFFFAOYSA-N -1 0 350.375 -0.148 20 0 FBADRM CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)[N-]OCC(N)=O)ccc21 ZINC000276147954 535762341 /nfs/dbraw/zinc/76/23/41/535762341.db2.gz OTKDQQIEKVXZDY-UHFFFAOYSA-N -1 0 362.342 -0.324 20 0 FBADRM COC(=O)NCCc1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])s1 ZINC000276157568 244048111 /nfs/dbraw/zinc/04/81/11/244048111.db2.gz AOWLEXZDNXWAKW-QMMMGPOBSA-N -1 0 352.390 -0.630 20 0 FBADRM CO[N-]C(=O)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 ZINC000276177400 244047880 /nfs/dbraw/zinc/04/78/80/244047880.db2.gz SBBCMQXKLQBYTB-UHFFFAOYSA-N -1 0 350.375 -0.402 20 0 FBADRM COC(=O)NCCc1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])s1 ZINC000276182584 244048600 /nfs/dbraw/zinc/04/86/00/244048600.db2.gz FLNWPMHIUPJYKX-VIFPVBQESA-N -1 0 366.417 -0.240 20 0 FBADRM COC(=O)NCCc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)s1 ZINC000276188148 244050638 /nfs/dbraw/zinc/05/06/38/244050638.db2.gz GLRVLFOLAYHMRD-XCBNKYQSSA-N -1 0 366.417 -0.241 20 0 FBADRM COC(=O)NCCc1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])s1 ZINC000276193941 244050313 /nfs/dbraw/zinc/05/03/13/244050313.db2.gz HPTXEFHGBWQVIS-UHFFFAOYSA-N -1 0 366.417 -0.286 20 0 FBADRM C[C@@H]1CN(c2ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc2F)C[C@H](C)O1 ZINC000276206212 244049816 /nfs/dbraw/zinc/04/98/16/244049816.db2.gz VYRDOUNYKTWGSE-AOOOYVTPSA-N -1 0 368.365 -0.089 20 0 FBADRM C[C@@H]1CN(c2ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc2F)C[C@@H](C)O1 ZINC000276206217 244050791 /nfs/dbraw/zinc/05/07/91/244050791.db2.gz VYRDOUNYKTWGSE-NXEZZACHSA-N -1 0 368.365 -0.089 20 0 FBADRM C[C@H]1CN(c2ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc2F)C[C@H](C)O1 ZINC000276206221 244049359 /nfs/dbraw/zinc/04/93/59/244049359.db2.gz VYRDOUNYKTWGSE-UWVGGRQHSA-N -1 0 368.365 -0.089 20 0 FBADRM COC(=O)NCCc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])s1 ZINC000276257043 244055029 /nfs/dbraw/zinc/05/50/29/244055029.db2.gz RVTRKVUIZKCBHP-SECBINFHSA-N -1 0 366.417 -0.240 20 0 FBADRM COC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])s1 ZINC000276257048 244054735 /nfs/dbraw/zinc/05/47/35/244054735.db2.gz RVTRKVUIZKCBHP-VIFPVBQESA-N -1 0 366.417 -0.240 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c(OC)c1 ZINC000276265619 244054800 /nfs/dbraw/zinc/05/48/00/244054800.db2.gz YSUDMTAVAIJQKD-UHFFFAOYSA-N -1 0 357.344 -0.431 20 0 FBADRM COC(=O)NCCc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])s1 ZINC000276272721 244056146 /nfs/dbraw/zinc/05/61/46/244056146.db2.gz VFNLLULYQQNFQT-MRVPVSSYSA-N -1 0 352.390 -0.630 20 0 FBADRM COC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])s1 ZINC000276272724 244056287 /nfs/dbraw/zinc/05/62/87/244056287.db2.gz VFNLLULYQQNFQT-QMMMGPOBSA-N -1 0 352.390 -0.630 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC000276280442 244055162 /nfs/dbraw/zinc/05/51/62/244055162.db2.gz QACQBYBIZJAHBK-MRVPVSSYSA-N -1 0 358.351 -0.443 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC000276280444 244055171 /nfs/dbraw/zinc/05/51/71/244055171.db2.gz QACQBYBIZJAHBK-QMMMGPOBSA-N -1 0 358.351 -0.443 20 0 FBADRM CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1ccc(F)cc1[O-])C2 ZINC000276290108 244055734 /nfs/dbraw/zinc/05/57/34/244055734.db2.gz SZXCLESHYVCNTR-UHFFFAOYSA-N -1 0 363.349 -0.366 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCCOCC(F)F)cc-2c(=O)[n-]1 ZINC000276295846 244058057 /nfs/dbraw/zinc/05/80/57/244058057.db2.gz ZMUUDETWYXUCBX-UHFFFAOYSA-N -1 0 350.303 -0.004 20 0 FBADRM CCN1CCCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1=O ZINC000276304076 244058735 /nfs/dbraw/zinc/05/87/35/244058735.db2.gz DGHSGMCXSGCENF-UHFFFAOYSA-N -1 0 367.387 -0.321 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NC[C@H]3CC(C(N)=O)=NO3)cc2[n-]c1=S ZINC000276308665 244058777 /nfs/dbraw/zinc/05/87/77/244058777.db2.gz UQPNBUGDJHSSPE-MRVPVSSYSA-N -1 0 361.383 -0.418 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NC[C@@H]3CC(C(N)=O)=NO3)cc2[n-]c1=S ZINC000276308669 244057163 /nfs/dbraw/zinc/05/71/63/244057163.db2.gz UQPNBUGDJHSSPE-QMMMGPOBSA-N -1 0 361.383 -0.418 20 0 FBADRM COc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])ccc1F ZINC000276318102 244058825 /nfs/dbraw/zinc/05/88/25/244058825.db2.gz YKCSISDWVVRWDB-JTQLQIEISA-N -1 0 367.376 -0.293 20 0 FBADRM COc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])ccc1F ZINC000276318106 244059095 /nfs/dbraw/zinc/05/90/95/244059095.db2.gz YKCSISDWVVRWDB-SNVBAGLBSA-N -1 0 367.376 -0.293 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)[N-]OC[C@@H]1CCOC1 ZINC000276349367 244059715 /nfs/dbraw/zinc/05/97/15/244059715.db2.gz IJDLAZGSOHIOKA-CMPLNLGQSA-N -1 0 360.436 -0.212 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)[N-]OC[C@H]1CCOC1 ZINC000276349372 244060187 /nfs/dbraw/zinc/06/01/87/244060187.db2.gz IJDLAZGSOHIOKA-JQWIXIFHSA-N -1 0 360.436 -0.212 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)[N-]OC[C@H]1CCOC1 ZINC000276349375 244059789 /nfs/dbraw/zinc/05/97/89/244059789.db2.gz IJDLAZGSOHIOKA-PWSUYJOCSA-N -1 0 360.436 -0.212 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)[N-]OC[C@@H]1CCOC1 ZINC000276349377 244060251 /nfs/dbraw/zinc/06/02/51/244060251.db2.gz IJDLAZGSOHIOKA-ZYHUDNBSSA-N -1 0 360.436 -0.212 20 0 FBADRM CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000276388695 244064738 /nfs/dbraw/zinc/06/47/38/244064738.db2.gz AHLRRHLMPNGWOW-UHFFFAOYSA-N -1 0 355.376 -0.165 20 0 FBADRM CCOC(=O)c1ccc(C)c(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000276427820 244068198 /nfs/dbraw/zinc/06/81/98/244068198.db2.gz BKSLPZFPHKMOPS-UHFFFAOYSA-N -1 0 358.372 -0.349 20 0 FBADRM CCN(CC(N)=O)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000276450413 535388487 /nfs/dbraw/zinc/38/84/87/535388487.db2.gz DMHDUUZJPNQJAZ-JTQLQIEISA-N -1 0 369.399 -0.380 20 0 FBADRM CCN(CC(N)=O)S(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000276450418 535388863 /nfs/dbraw/zinc/38/88/63/535388863.db2.gz DMHDUUZJPNQJAZ-SNVBAGLBSA-N -1 0 369.399 -0.380 20 0 FBADRM O=C(c1ccc(F)cc1[O-])N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000276469627 244068918 /nfs/dbraw/zinc/06/89/18/244068918.db2.gz JWDFMGICIXHYJZ-GXTWGEPZSA-N -1 0 358.391 -0.553 20 0 FBADRM O=C(c1ccc(F)cc1[O-])N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000276469630 244069876 /nfs/dbraw/zinc/06/98/76/244069876.db2.gz JWDFMGICIXHYJZ-JSGCOSHPSA-N -1 0 358.391 -0.553 20 0 FBADRM O=C(c1ccc(F)cc1[O-])N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000276469634 244068779 /nfs/dbraw/zinc/06/87/79/244068779.db2.gz JWDFMGICIXHYJZ-OCCSQVGLSA-N -1 0 358.391 -0.553 20 0 FBADRM O=C(c1ccc(F)cc1[O-])N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000276469638 244070193 /nfs/dbraw/zinc/07/01/93/244070193.db2.gz JWDFMGICIXHYJZ-TZMCWYRMSA-N -1 0 358.391 -0.553 20 0 FBADRM CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1c([O-])cccc1F)C2 ZINC000276482545 244070267 /nfs/dbraw/zinc/07/02/67/244070267.db2.gz ZCHORIMWFOMLTR-UHFFFAOYSA-N -1 0 363.349 -0.366 20 0 FBADRM O=C(c1c([O-])cccc1F)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000276508336 244073634 /nfs/dbraw/zinc/07/36/34/244073634.db2.gz QTEKBXREWQRJKC-AAEUAGOBSA-N -1 0 358.391 -0.553 20 0 FBADRM O=C(c1c([O-])cccc1F)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000276508339 244073700 /nfs/dbraw/zinc/07/37/00/244073700.db2.gz QTEKBXREWQRJKC-DGCLKSJQSA-N -1 0 358.391 -0.553 20 0 FBADRM O=C(c1c([O-])cccc1F)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000276508343 244073463 /nfs/dbraw/zinc/07/34/63/244073463.db2.gz QTEKBXREWQRJKC-WCQYABFASA-N -1 0 358.391 -0.553 20 0 FBADRM O=C(c1c([O-])cccc1F)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000276508346 244072994 /nfs/dbraw/zinc/07/29/94/244072994.db2.gz QTEKBXREWQRJKC-YPMHNXCESA-N -1 0 358.391 -0.553 20 0 FBADRM CCOC(=O)c1cnc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)n1C ZINC000276573719 244079591 /nfs/dbraw/zinc/07/95/91/244079591.db2.gz SEMCPHFUDFOKIK-UHFFFAOYSA-N -1 0 355.376 -0.165 20 0 FBADRM Cc1cc(C2CC2)nc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1 ZINC000276577835 244079651 /nfs/dbraw/zinc/07/96/51/244079651.db2.gz CDMHRCIUPKAOGX-UHFFFAOYSA-N -1 0 351.388 -0.139 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)C1=O ZINC000276591068 244078321 /nfs/dbraw/zinc/07/83/21/244078321.db2.gz KMCIJDFDKBZGLG-INIZCTEOSA-N -1 0 371.357 -0.385 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)C1=O ZINC000276591075 244079302 /nfs/dbraw/zinc/07/93/02/244079302.db2.gz KMCIJDFDKBZGLG-MRXNPFEDSA-N -1 0 371.357 -0.385 20 0 FBADRM CCOC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000276617537 244080278 /nfs/dbraw/zinc/08/02/78/244080278.db2.gz UCFAYLJYIUIGQG-JTQLQIEISA-N -1 0 358.372 -0.221 20 0 FBADRM CCOC(=O)c1ccc(C)c(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000276617545 244078979 /nfs/dbraw/zinc/07/89/79/244078979.db2.gz UCFAYLJYIUIGQG-SNVBAGLBSA-N -1 0 358.372 -0.221 20 0 FBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000276689655 244085276 /nfs/dbraw/zinc/08/52/76/244085276.db2.gz PWPTTXSOIJWIOK-LLVKDONJSA-N -1 0 368.419 -0.142 20 0 FBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000276689659 535058884 /nfs/dbraw/zinc/05/88/84/535058884.db2.gz PWPTTXSOIJWIOK-NSHDSACASA-N -1 0 368.419 -0.142 20 0 FBADRM CCn1nccc1N1CCC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1=O ZINC000276693007 244085558 /nfs/dbraw/zinc/08/55/58/244085558.db2.gz LHBSWQDFYWBXJJ-LLVKDONJSA-N -1 0 360.374 -0.372 20 0 FBADRM CCn1nccc1N1CCC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1=O ZINC000276693009 535873056 /nfs/dbraw/zinc/87/30/56/535873056.db2.gz LHBSWQDFYWBXJJ-NSHDSACASA-N -1 0 360.374 -0.372 20 0 FBADRM CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000276712724 535732726 /nfs/dbraw/zinc/73/27/26/535732726.db2.gz OXFTWMPSMAQZLA-SSDOTTSWSA-N -1 0 355.376 -0.419 20 0 FBADRM CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000276712726 244086502 /nfs/dbraw/zinc/08/65/02/244086502.db2.gz OXFTWMPSMAQZLA-ZETCQYMHSA-N -1 0 355.376 -0.419 20 0 FBADRM CCn1nccc1N1CCC[C@@H](NC(=O)CSc2n[nH]c(=O)[n-]2)C1=O ZINC000276735908 244085337 /nfs/dbraw/zinc/08/53/37/244085337.db2.gz WQWYYNCZSOVLLZ-SECBINFHSA-N -1 0 365.419 -0.282 20 0 FBADRM CCn1nccc1N1CCC[C@H](NC(=O)CSc2n[nH]c(=O)[n-]2)C1=O ZINC000276735929 244085673 /nfs/dbraw/zinc/08/56/73/244085673.db2.gz WQWYYNCZSOVLLZ-VIFPVBQESA-N -1 0 365.419 -0.282 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]N2CCCNC2=O)c1 ZINC000276751195 244084872 /nfs/dbraw/zinc/08/48/72/244084872.db2.gz SZALFCAWRULNIB-UHFFFAOYSA-N -1 0 362.433 -0.455 20 0 FBADRM Cn1nnnc1CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000276769564 244088333 /nfs/dbraw/zinc/08/83/33/244088333.db2.gz YDQOSGXKDGMTQM-UHFFFAOYSA-N -1 0 366.403 -0.370 20 0 FBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000276772257 244087329 /nfs/dbraw/zinc/08/73/29/244087329.db2.gz BVWHXEOPYMNUSP-KCJUWKMLSA-N -1 0 366.417 -0.951 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](CCO)C(=O)[O-] ZINC000276775753 536118818 /nfs/dbraw/zinc/11/88/18/536118818.db2.gz CHJAWOJXVBSXTG-SECBINFHSA-N -1 0 366.417 -0.949 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](CCO)C(=O)[O-] ZINC000276775756 536119108 /nfs/dbraw/zinc/11/91/08/536119108.db2.gz CHJAWOJXVBSXTG-VIFPVBQESA-N -1 0 366.417 -0.949 20 0 FBADRM COc1cc(Cl)c(S(=O)(=O)NCCOCC(N)=O)cc1C(=O)[O-] ZINC000276944984 244093587 /nfs/dbraw/zinc/09/35/87/244093587.db2.gz WMBYDIFDQVLEOJ-UHFFFAOYSA-N -1 0 366.779 -0.173 20 0 FBADRM CC1(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)OCCCO1 ZINC000276971981 244093869 /nfs/dbraw/zinc/09/38/69/244093869.db2.gz QIFSRCUWGFRRJO-UHFFFAOYSA-N -1 0 356.360 -0.133 20 0 FBADRM CO[C@@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@@H]1OC ZINC000277004535 536737919 /nfs/dbraw/zinc/73/79/19/536737919.db2.gz UUWWTTZHNNRBDX-AOOOYVTPSA-N -1 0 356.360 -0.530 20 0 FBADRM CCOC(=O)C(=O)N1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1 ZINC000277054298 244097365 /nfs/dbraw/zinc/09/73/65/244097365.db2.gz GLRWZKUTILYYKK-UHFFFAOYSA-N -1 0 367.324 -0.323 20 0 FBADRM Cn1cnc(S(=O)(=O)NCc2ccc(S(=O)(=O)CCO)cc2)c1 ZINC000277069482 244098188 /nfs/dbraw/zinc/09/81/88/244098188.db2.gz POURDEWPWXZAQF-UHFFFAOYSA-N -1 0 359.429 -0.335 20 0 FBADRM COC(=O)c1cc2c(cc1NC(=O)C(=O)NN1CCCNC1=O)OCO2 ZINC000277072861 244098255 /nfs/dbraw/zinc/09/82/55/244098255.db2.gz VPOYJUGQTXBMDU-UHFFFAOYSA-N -1 0 364.314 -0.413 20 0 FBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N[C@@H]1CCS(=O)(=O)C1 ZINC000277079659 244099457 /nfs/dbraw/zinc/09/94/57/244099457.db2.gz OGZTXBIDAVAWNM-SECBINFHSA-N -1 0 353.425 -0.012 20 0 FBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N[C@H]1CCS(=O)(=O)C1 ZINC000277079663 244100399 /nfs/dbraw/zinc/10/03/99/244100399.db2.gz OGZTXBIDAVAWNM-VIFPVBQESA-N -1 0 353.425 -0.012 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)OC ZINC000277157603 244101247 /nfs/dbraw/zinc/10/12/47/244101247.db2.gz ZBFNOPXQFWVSBR-SSDOTTSWSA-N -1 0 352.390 -0.480 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(C)(C)[C@@H](O)C(=O)OC ZINC000277157605 244099156 /nfs/dbraw/zinc/09/91/56/244099156.db2.gz ZBFNOPXQFWVSBR-ZETCQYMHSA-N -1 0 352.390 -0.480 20 0 FBADRM O=C([O-])c1cn(CCNS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)nn1 ZINC000277194483 244103870 /nfs/dbraw/zinc/10/38/70/244103870.db2.gz DHBOJWHSCKKFOL-SECBINFHSA-N -1 0 356.364 -0.887 20 0 FBADRM O=C([O-])c1cn(CCNS(=O)(=O)c2cnn([C@H]3CCOC3)c2)nn1 ZINC000277194488 244101939 /nfs/dbraw/zinc/10/19/39/244101939.db2.gz DHBOJWHSCKKFOL-VIFPVBQESA-N -1 0 356.364 -0.887 20 0 FBADRM COC(=O)c1csc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC000277204576 244103683 /nfs/dbraw/zinc/10/36/83/244103683.db2.gz DWEMZBCVIPJWIY-UHFFFAOYSA-N -1 0 360.373 -0.197 20 0 FBADRM COc1cccc(OC)c1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000277204688 244102849 /nfs/dbraw/zinc/10/28/49/244102849.db2.gz DYGJPWQHMIEWHU-UHFFFAOYSA-N -1 0 356.360 -0.028 20 0 FBADRM COc1cc(OC)c(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c(OC)c1 ZINC000277208076 244102273 /nfs/dbraw/zinc/10/22/73/244102273.db2.gz GHUMLRCXMXAYOR-PSASIEDQSA-N -1 0 361.372 -0.079 20 0 FBADRM COc1cc(OC)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c(OC)c1 ZINC000277208079 244103735 /nfs/dbraw/zinc/10/37/35/244103735.db2.gz GHUMLRCXMXAYOR-SCZZXKLOSA-N -1 0 361.372 -0.079 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)s1 ZINC000277210080 244103200 /nfs/dbraw/zinc/10/32/00/244103200.db2.gz FFXIYLUBLUFLKE-UHFFFAOYSA-N -1 0 360.373 -0.197 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC[C@H](O)C(=O)[O-] ZINC000277227231 536118069 /nfs/dbraw/zinc/11/80/69/536118069.db2.gz IQJXHDNQSZRYAK-VIFPVBQESA-N -1 0 366.417 -0.949 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cc1 ZINC000277229639 244102219 /nfs/dbraw/zinc/10/22/19/244102219.db2.gz GOWBWDFBVQUGOL-UHFFFAOYSA-N -1 0 374.400 -0.642 20 0 FBADRM COC(=O)c1ccccc1CS(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000277248792 244102385 /nfs/dbraw/zinc/10/23/85/244102385.db2.gz HWAYERATRSZQAH-UHFFFAOYSA-N -1 0 368.371 -0.118 20 0 FBADRM COc1ccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cc1OC ZINC000277248915 244103858 /nfs/dbraw/zinc/10/38/58/244103858.db2.gz HXNRFYUXZHEYAX-UHFFFAOYSA-N -1 0 356.360 -0.028 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000277255621 536117208 /nfs/dbraw/zinc/11/72/08/536117208.db2.gz MGVNHPQEZIDQSM-UHFFFAOYSA-N -1 0 366.417 -0.996 20 0 FBADRM O=C([O-])c1cn(CCNS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)nn1 ZINC000277262625 244103463 /nfs/dbraw/zinc/10/34/63/244103463.db2.gz IVDCWFKFGZWHGN-UHFFFAOYSA-N -1 0 365.371 -0.759 20 0 FBADRM O=C([O-])c1cn(CCNS(=O)(=O)c2cnn(CC(F)F)c2)nn1 ZINC000277262699 244103617 /nfs/dbraw/zinc/10/36/17/244103617.db2.gz IVSAWZPWYAEQKE-UHFFFAOYSA-N -1 0 350.307 -0.584 20 0 FBADRM COC(=O)c1sccc1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000277306715 244107394 /nfs/dbraw/zinc/10/73/94/244107394.db2.gz LKGHAVCPIQYKAJ-UHFFFAOYSA-N -1 0 360.373 -0.197 20 0 FBADRM O=C([O-])c1cn(CCNS(=O)(=O)c2cnn(CC(F)(F)F)c2)nn1 ZINC000277308858 244106259 /nfs/dbraw/zinc/10/62/59/244106259.db2.gz LMMFOMPGRNNGJD-UHFFFAOYSA-N -1 0 368.297 -0.286 20 0 FBADRM CNC(=O)c1ccc(/C=C/C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000277330405 536408108 /nfs/dbraw/zinc/40/81/08/536408108.db2.gz CJQVNURUBYYLCF-VMPITWQZSA-N -1 0 353.400 -0.359 20 0 FBADRM COc1cccc(C(=O)NCC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000277365890 244106593 /nfs/dbraw/zinc/10/65/93/244106593.db2.gz FCZGLFKVACXSCA-UHFFFAOYSA-N -1 0 357.388 -0.993 20 0 FBADRM COc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc2c1OCCO2 ZINC000277379904 244106769 /nfs/dbraw/zinc/10/67/69/244106769.db2.gz FTBHQIZDTZVRFZ-UHFFFAOYSA-N -1 0 358.372 -0.338 20 0 FBADRM COc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc(OC)c1OC ZINC000277384312 244107096 /nfs/dbraw/zinc/10/70/96/244107096.db2.gz GARSRBDRSVWTCU-UHFFFAOYSA-N -1 0 360.388 -0.092 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)s1 ZINC000277390134 244104936 /nfs/dbraw/zinc/10/49/36/244104936.db2.gz NJPONINJGBAIDN-UHFFFAOYSA-N -1 0 373.416 -0.348 20 0 FBADRM CN1C(=O)Cc2cc(S(=O)(=O)NCCn3cc(C(=O)[O-])nn3)ccc21 ZINC000277392422 536320257 /nfs/dbraw/zinc/32/02/57/536320257.db2.gz NPDMIBJFCCAVTD-UHFFFAOYSA-N -1 0 365.371 -0.526 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CNC(=O)OCc1ccccc1 ZINC000277397208 244105883 /nfs/dbraw/zinc/10/58/83/244105883.db2.gz GSXCCPRZOTVRQW-UHFFFAOYSA-N -1 0 357.388 -0.505 20 0 FBADRM O=C([O-])c1cn(CCNS(=O)(=O)c2cccc3c2OCCO3)nn1 ZINC000277399121 244104873 /nfs/dbraw/zinc/10/48/73/244104873.db2.gz OATSAFUQQYMAKS-UHFFFAOYSA-N -1 0 354.344 -0.274 20 0 FBADRM Cc1nn(C)c(C)c1-c1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)[nH]n1 ZINC000277409765 244106485 /nfs/dbraw/zinc/10/64/85/244106485.db2.gz HORASGZWYQVOQX-UHFFFAOYSA-N -1 0 368.419 -0.377 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCCNC(=O)c1ccsc1 ZINC000277409810 244105513 /nfs/dbraw/zinc/10/55/13/244105513.db2.gz HOWARINDZZWJSQ-UHFFFAOYSA-N -1 0 361.445 -0.160 20 0 FBADRM Cn1c2ccccc2n(CCC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1=O ZINC000277412083 244104797 /nfs/dbraw/zinc/10/47/97/244104797.db2.gz HSRQPVIEIUGATK-UHFFFAOYSA-N -1 0 368.415 -0.688 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCCNC(=O)c1ccccc1 ZINC000277414164 244106758 /nfs/dbraw/zinc/10/67/58/244106758.db2.gz HVKUMWFCAIWPBT-UHFFFAOYSA-N -1 0 355.416 -0.221 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000277418818 244109216 /nfs/dbraw/zinc/10/92/16/244109216.db2.gz IBVUCYNQTNUOND-JTQLQIEISA-N -1 0 357.363 -0.166 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000277418822 244110034 /nfs/dbraw/zinc/11/00/34/244110034.db2.gz IBVUCYNQTNUOND-SNVBAGLBSA-N -1 0 357.363 -0.166 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)NCCn3cc(C(=O)[O-])nn3)cc12 ZINC000277425545 244110548 /nfs/dbraw/zinc/11/05/48/244110548.db2.gz PQYFXERGTNQFLG-UHFFFAOYSA-N -1 0 365.375 -0.455 20 0 FBADRM Cc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)ccc1-n1cncn1 ZINC000277430333 244110419 /nfs/dbraw/zinc/11/04/19/244110419.db2.gz IRHSILANJLYHHX-UHFFFAOYSA-N -1 0 351.388 -0.229 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CN1C(=O)CSc2ccccc21 ZINC000277430608 244108608 /nfs/dbraw/zinc/10/86/08/244108608.db2.gz ITCGYZWLCYWLBI-UHFFFAOYSA-N -1 0 371.440 -0.293 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc(OCC(F)F)n1 ZINC000277443218 244108259 /nfs/dbraw/zinc/10/82/59/244108259.db2.gz JIUIVSRSUSOUCU-UHFFFAOYSA-N -1 0 351.331 -0.079 20 0 FBADRM CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000277447361 244110006 /nfs/dbraw/zinc/11/00/06/244110006.db2.gz JQHGWBJZNFEQQA-GFCCVEGCSA-N -1 0 359.404 -0.384 20 0 FBADRM CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000277447365 244110344 /nfs/dbraw/zinc/11/03/44/244110344.db2.gz JQHGWBJZNFEQQA-LBPRGKRZSA-N -1 0 359.404 -0.384 20 0 FBADRM COc1cc(OC)cc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC000277455754 536872392 /nfs/dbraw/zinc/87/23/92/536872392.db2.gz RMSMIUWAZIZWNA-UHFFFAOYSA-N -1 0 356.360 -0.028 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC000277464002 244109279 /nfs/dbraw/zinc/10/92/79/244109279.db2.gz SEBHBFJBQRDUDA-UHFFFAOYSA-N -1 0 374.400 -0.642 20 0 FBADRM COC(=O)c1ccc(CS(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cc1 ZINC000277468294 536708403 /nfs/dbraw/zinc/70/84/03/536708403.db2.gz SNHYGUIBTOYOIO-UHFFFAOYSA-N -1 0 368.371 -0.118 20 0 FBADRM O=C([O-])c1cn(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)nn1 ZINC000277472191 244110357 /nfs/dbraw/zinc/11/03/57/244110357.db2.gz SUJCGHOTAVMXQW-UHFFFAOYSA-N -1 0 354.344 -0.274 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)c(C)o1 ZINC000277483693 244109978 /nfs/dbraw/zinc/10/99/78/244109978.db2.gz ULUBLJDEGHFQHO-UHFFFAOYSA-N -1 0 358.332 -0.357 20 0 FBADRM COC(=O)c1cccc(CS(=O)(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC000277487940 244108012 /nfs/dbraw/zinc/10/80/12/244108012.db2.gz UTUGYETVQBVQED-UHFFFAOYSA-N -1 0 368.371 -0.118 20 0 FBADRM COC(=O)Cc1ccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)s1 ZINC000277505961 536367260 /nfs/dbraw/zinc/36/72/60/536367260.db2.gz VZHQMAYZLRRJKQ-UHFFFAOYSA-N -1 0 374.400 -0.268 20 0 FBADRM COc1ccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)c(OC)c1 ZINC000277510225 244112414 /nfs/dbraw/zinc/11/24/14/244112414.db2.gz WDYIPUJDWLTMLI-UHFFFAOYSA-N -1 0 356.360 -0.028 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cn1C ZINC000277528919 244111087 /nfs/dbraw/zinc/11/10/87/244111087.db2.gz XLBBVAPOHIKXOZ-UHFFFAOYSA-N -1 0 371.375 -0.530 20 0 FBADRM CN(C)C(=O)c1cccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC000277529307 244111378 /nfs/dbraw/zinc/11/13/78/244111378.db2.gz XMTPGNBUWDTEKH-UHFFFAOYSA-N -1 0 367.387 -0.343 20 0 FBADRM O=C([O-])c1cn(CCNS(=O)(=O)c2cnn(C3CCOCC3)c2)nn1 ZINC000277550546 244112363 /nfs/dbraw/zinc/11/23/63/244112363.db2.gz YWVVKYSWHABMMI-UHFFFAOYSA-N -1 0 370.391 -0.497 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cs1 ZINC000277557335 244112698 /nfs/dbraw/zinc/11/26/98/244112698.db2.gz ZLNGAEPDMGNRFE-UHFFFAOYSA-N -1 0 360.373 -0.197 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(C)(C)C[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000277568197 244111969 /nfs/dbraw/zinc/11/19/69/244111969.db2.gz SMEKNQBSEDNAED-SECBINFHSA-N -1 0 359.404 -0.652 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(C)(C)C[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000277568201 244111860 /nfs/dbraw/zinc/11/18/60/244111860.db2.gz SMEKNQBSEDNAED-VIFPVBQESA-N -1 0 359.404 -0.652 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)CSc1n[n-]c(=S)s1 ZINC000277572817 244111289 /nfs/dbraw/zinc/11/12/89/244111289.db2.gz NYIFLKVTEKXNLR-UHFFFAOYSA-N -1 0 371.535 -0.133 20 0 FBADRM CN1C(=O)c2ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc2C1=O ZINC000277604018 536327794 /nfs/dbraw/zinc/32/77/94/536327794.db2.gz LJUXFZSLGKTIFB-UHFFFAOYSA-N -1 0 353.356 -0.892 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCNC(=O)Cc1ccccc1 ZINC000277604134 244115005 /nfs/dbraw/zinc/11/50/05/244115005.db2.gz LLZUKTNGHWGYJH-UHFFFAOYSA-N -1 0 355.416 -0.683 20 0 FBADRM COc1cc(OC)c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1OC ZINC000277614551 244114640 /nfs/dbraw/zinc/11/46/40/244114640.db2.gz LZXQJSSHXDIEEH-UHFFFAOYSA-N -1 0 360.388 -0.092 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cn1cc(-c2ccccc2)nn1 ZINC000277622007 244115343 /nfs/dbraw/zinc/11/53/43/244115343.db2.gz MJDSUEAGBPEVAE-UHFFFAOYSA-N -1 0 351.388 -0.473 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000277627706 244116938 /nfs/dbraw/zinc/11/69/38/244116938.db2.gz MSJPMPVKCITFCU-GFCCVEGCSA-N -1 0 357.363 -0.099 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000277627709 244116874 /nfs/dbraw/zinc/11/68/74/244116874.db2.gz MSJPMPVKCITFCU-LBPRGKRZSA-N -1 0 357.363 -0.099 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(OCC(F)F)nc1 ZINC000277632971 244115929 /nfs/dbraw/zinc/11/59/29/244115929.db2.gz NBUGZRKELQEANA-UHFFFAOYSA-N -1 0 351.331 -0.079 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccnc(OCC(F)F)c1 ZINC000277635172 244115527 /nfs/dbraw/zinc/11/55/27/244115527.db2.gz NGFMWSDIYCCJQM-UHFFFAOYSA-N -1 0 351.331 -0.079 20 0 FBADRM C[C@H]1Oc2c(cccc2C(=O)NCCC(=O)[N-]S(C)(=O)=O)NC1=O ZINC000277642553 244116554 /nfs/dbraw/zinc/11/65/54/244116554.db2.gz NRWNVVKRDZNOIM-MRVPVSSYSA-N -1 0 355.372 -0.398 20 0 FBADRM C[C@@H]1Oc2c(cccc2C(=O)NCCC(=O)[N-]S(C)(=O)=O)NC1=O ZINC000277642556 244116207 /nfs/dbraw/zinc/11/62/07/244116207.db2.gz NRWNVVKRDZNOIM-QMMMGPOBSA-N -1 0 355.372 -0.398 20 0 FBADRM CCS(=O)(=O)c1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000277650789 244119247 /nfs/dbraw/zinc/11/92/47/244119247.db2.gz OFSNCODKXQHXFM-UHFFFAOYSA-N -1 0 362.429 -0.324 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000277663892 244119372 /nfs/dbraw/zinc/11/93/72/244119372.db2.gz PFKJIDUFRZMNDV-LLVKDONJSA-N -1 0 371.415 -0.144 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000277663895 244120207 /nfs/dbraw/zinc/12/02/07/244120207.db2.gz PFKJIDUFRZMNDV-NSHDSACASA-N -1 0 371.415 -0.144 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000277667364 244119387 /nfs/dbraw/zinc/11/93/87/244119387.db2.gz PLVBBCHHHWSFJN-JTQLQIEISA-N -1 0 357.388 -0.790 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000277667365 244118509 /nfs/dbraw/zinc/11/85/09/244118509.db2.gz PLVBBCHHHWSFJN-SNVBAGLBSA-N -1 0 357.388 -0.790 20 0 FBADRM C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)n1nnc(-c2ccccc2)n1 ZINC000277668820 244120239 /nfs/dbraw/zinc/12/02/39/244120239.db2.gz PMEMQKIRCSZGCD-JTQLQIEISA-N -1 0 366.403 -0.517 20 0 FBADRM C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)n1nnc(-c2ccccc2)n1 ZINC000277668822 244119609 /nfs/dbraw/zinc/11/96/09/244119609.db2.gz PMEMQKIRCSZGCD-SNVBAGLBSA-N -1 0 366.403 -0.517 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(N2CCOCC2)cc1 ZINC000277674751 244119828 /nfs/dbraw/zinc/11/98/28/244119828.db2.gz PWGHCGFKXLJJLB-UHFFFAOYSA-N -1 0 355.416 -0.281 20 0 FBADRM CCOC1CC(O)(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000277695643 535391962 /nfs/dbraw/zinc/39/19/62/535391962.db2.gz KZWBRVFHBFSBIV-UHFFFAOYSA-N -1 0 370.387 -0.356 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc(N2CCCNC2=O)c1 ZINC000277697653 244119177 /nfs/dbraw/zinc/11/91/77/244119177.db2.gz REZFFUYTDFWCPE-UHFFFAOYSA-N -1 0 368.415 -0.198 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CNC(=O)Cc1cccc(F)c1 ZINC000277703976 244119187 /nfs/dbraw/zinc/11/91/87/244119187.db2.gz RNWMMYYEUGXVQE-UHFFFAOYSA-N -1 0 359.379 -0.934 20 0 FBADRM C[C@@H]1Oc2ccccc2N(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)C1=O ZINC000277706159 244120214 /nfs/dbraw/zinc/12/02/14/244120214.db2.gz RSFVZIJJSIIZKU-JTQLQIEISA-N -1 0 369.399 -0.617 20 0 FBADRM C[C@H]1Oc2ccccc2N(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)C1=O ZINC000277706163 244119784 /nfs/dbraw/zinc/11/97/84/244119784.db2.gz RSFVZIJJSIIZKU-SNVBAGLBSA-N -1 0 369.399 -0.617 20 0 FBADRM CCS(=O)(=O)c1cccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000277714845 244117710 /nfs/dbraw/zinc/11/77/10/244117710.db2.gz SCWFHVYDEXQILH-UHFFFAOYSA-N -1 0 362.429 -0.324 20 0 FBADRM C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000277737931 244120012 /nfs/dbraw/zinc/12/00/12/244120012.db2.gz UFMGVWQDHQMVPP-NSHDSACASA-N -1 0 371.415 -0.117 20 0 FBADRM CCc1[nH]c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(C)c1C(=O)OC ZINC000277741760 535985589 /nfs/dbraw/zinc/98/55/89/535985589.db2.gz UJVJDUWWXBRMLX-UHFFFAOYSA-N -1 0 359.404 -0.132 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000277744194 244119656 /nfs/dbraw/zinc/11/96/56/244119656.db2.gz UPIUUGDOEVQVHH-UHFFFAOYSA-N -1 0 353.400 -0.226 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000277746203 244120132 /nfs/dbraw/zinc/12/01/32/244120132.db2.gz USLBYMGMGVQYHT-UHFFFAOYSA-N -1 0 369.378 -0.339 20 0 FBADRM C=C1c2ccccc2C(=O)N1CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000277748343 244118094 /nfs/dbraw/zinc/11/80/94/244118094.db2.gz UTXSOELFRRPHCU-UHFFFAOYSA-N -1 0 351.384 -0.305 20 0 FBADRM Cc1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1S(C)(=O)=O ZINC000277748414 244120027 /nfs/dbraw/zinc/12/00/27/244120027.db2.gz UVEKZXPXAUQDRH-UHFFFAOYSA-N -1 0 362.429 -0.406 20 0 FBADRM CC(=O)N(CCc1ccccc1)CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000277766739 244118968 /nfs/dbraw/zinc/11/89/68/244118968.db2.gz VUQBEJKEQRYXID-UHFFFAOYSA-N -1 0 369.443 -0.340 20 0 FBADRM CN1CCC(=O)Nc2cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)ccc21 ZINC000277766941 244119506 /nfs/dbraw/zinc/11/95/06/244119506.db2.gz VWNNXOFBUFUWBY-UHFFFAOYSA-N -1 0 368.415 -0.339 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCN1C(=O)COc2ccccc21 ZINC000277775196 244119855 /nfs/dbraw/zinc/11/98/55/244119855.db2.gz WJYDPZPSWWENNR-UHFFFAOYSA-N -1 0 369.399 -0.616 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000277777496 244119501 /nfs/dbraw/zinc/11/95/01/244119501.db2.gz WMVQBVCTGANHMY-CYBMUJFWSA-N -1 0 367.427 -0.383 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000277777498 244117556 /nfs/dbraw/zinc/11/75/56/244117556.db2.gz WMVQBVCTGANHMY-ZDUSSCGKSA-N -1 0 367.427 -0.383 20 0 FBADRM Cc1ccc(CCC(=O)NCC(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000277779557 244118066 /nfs/dbraw/zinc/11/80/66/244118066.db2.gz WPMHOOXTYDOAJU-UHFFFAOYSA-N -1 0 369.443 -0.374 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccc(-n2cccn2)cc1 ZINC000277791100 244121656 /nfs/dbraw/zinc/12/16/56/244121656.db2.gz XFFROPZUEFOKBU-UHFFFAOYSA-N -1 0 350.400 -0.003 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cn(Cc2ccccc2)nn1 ZINC000277804446 244121870 /nfs/dbraw/zinc/12/18/70/244121870.db2.gz XVVWBBDMRNLVMH-UHFFFAOYSA-N -1 0 351.388 -0.478 20 0 FBADRM Cc1sc2ncc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(=O)n2c1C ZINC000277815142 244122930 /nfs/dbraw/zinc/12/29/30/244122930.db2.gz YLFQQSQQFLTFQM-UHFFFAOYSA-N -1 0 372.428 -0.431 20 0 FBADRM CCCC(=O)N1CSC[C@@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000277819828 244123180 /nfs/dbraw/zinc/12/31/80/244123180.db2.gz YSBYIZPXVCBMLJ-SECBINFHSA-N -1 0 351.450 -0.730 20 0 FBADRM CCCC(=O)N1CSC[C@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000277819832 244121344 /nfs/dbraw/zinc/12/13/44/244121344.db2.gz YSBYIZPXVCBMLJ-VIFPVBQESA-N -1 0 351.450 -0.730 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000277823904 244123673 /nfs/dbraw/zinc/12/36/73/244123673.db2.gz YWRBQTMJXXLHTQ-UHFFFAOYSA-N -1 0 357.413 -0.074 20 0 FBADRM CCS(=O)(=O)c1ccccc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000277828817 244123127 /nfs/dbraw/zinc/12/31/27/244123127.db2.gz ZFTPBQNLFSMPJK-UHFFFAOYSA-N -1 0 362.429 -0.324 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)cc1C(N)=O ZINC000277967860 244125073 /nfs/dbraw/zinc/12/50/73/244125073.db2.gz LGSVNFVXJGALJI-UHFFFAOYSA-N -1 0 369.403 -0.428 20 0 FBADRM CCOC(=O)CC[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000277986503 244126601 /nfs/dbraw/zinc/12/66/01/244126601.db2.gz JLTBVXAAWIOMPH-VIFPVBQESA-N -1 0 361.376 -0.801 20 0 FBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc(OC)c(-n3nnnc3C)c2)c1[O-] ZINC000278103470 244126623 /nfs/dbraw/zinc/12/66/23/244126623.db2.gz LISLEZFFJZIVAJ-GFCCVEGCSA-N -1 0 360.330 -0.033 20 0 FBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc(OC)c(-n3nnnc3C)c2)c1[O-] ZINC000278103476 244125397 /nfs/dbraw/zinc/12/53/97/244125397.db2.gz LISLEZFFJZIVAJ-LBPRGKRZSA-N -1 0 360.330 -0.033 20 0 FBADRM O=C(CS(=O)(=O)c1nc(-c2ccccc2F)n[n-]1)N1CCNC(=O)C1 ZINC000278113183 244126522 /nfs/dbraw/zinc/12/65/22/244126522.db2.gz BLSODOSSKUPLFV-UHFFFAOYSA-N -1 0 367.362 -0.657 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2nnc(CC(C)(C)C)o2)c(=O)n(C)c1=O ZINC000278121566 244128426 /nfs/dbraw/zinc/12/84/26/244128426.db2.gz BAHOQGYWDMPHHB-UHFFFAOYSA-N -1 0 357.392 -0.144 20 0 FBADRM CC(C)CCc1nnc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)o1 ZINC000278126497 244130394 /nfs/dbraw/zinc/13/03/94/244130394.db2.gz BQCRFMDPOJTCNM-UHFFFAOYSA-N -1 0 357.392 -0.144 20 0 FBADRM Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])ccc21 ZINC000278142903 244129620 /nfs/dbraw/zinc/12/96/20/244129620.db2.gz AADCBWFCHHNUJX-UHFFFAOYSA-N -1 0 357.344 -0.999 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cs1 ZINC000278142947 244129749 /nfs/dbraw/zinc/12/97/49/244129749.db2.gz AAUMDYNJLIEYTG-UHFFFAOYSA-N -1 0 350.374 -0.596 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cc1F ZINC000278144299 244130052 /nfs/dbraw/zinc/13/00/52/244130052.db2.gz NUUTUHJCTMKTAA-JTQLQIEISA-N -1 0 362.335 -0.391 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cc1F ZINC000278144300 244130262 /nfs/dbraw/zinc/13/02/62/244130262.db2.gz NUUTUHJCTMKTAA-SNVBAGLBSA-N -1 0 362.335 -0.391 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000278146218 244129932 /nfs/dbraw/zinc/12/99/32/244129932.db2.gz ALEGMFYEIBMMFQ-UHFFFAOYSA-N -1 0 360.779 -0.143 20 0 FBADRM O=C(CS(=O)(=O)c1nnc(Cc2cccs2)[n-]1)N1CCNC(=O)C1 ZINC000278147804 244128797 /nfs/dbraw/zinc/12/87/97/244128797.db2.gz GYKXSCNUZGPOMK-UHFFFAOYSA-N -1 0 369.428 -0.811 20 0 FBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc(CC)c(S(N)(=O)=O)c2)c1[O-] ZINC000278149857 244129254 /nfs/dbraw/zinc/12/92/54/244129254.db2.gz NXYCMHDTHAHRSG-LLVKDONJSA-N -1 0 355.372 -0.116 20 0 FBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc(CC)c(S(N)(=O)=O)c2)c1[O-] ZINC000278149858 244128643 /nfs/dbraw/zinc/12/86/43/244128643.db2.gz NXYCMHDTHAHRSG-NSHDSACASA-N -1 0 355.372 -0.116 20 0 FBADRM CCOC(=O)CC[C@H](NS(=O)(=O)c1cnn(CCOC)c1)C(=O)[O-] ZINC000278153461 244129426 /nfs/dbraw/zinc/12/94/26/244129426.db2.gz OOQLHWBWGCSZCO-NSHDSACASA-N -1 0 363.392 -0.396 20 0 FBADRM COC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1 ZINC000278154153 244129134 /nfs/dbraw/zinc/12/91/34/244129134.db2.gz BLIBHEYAXZHZOY-UHFFFAOYSA-N -1 0 359.360 -0.266 20 0 FBADRM CCOC(=O)CC[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000278155640 244129470 /nfs/dbraw/zinc/12/94/70/244129470.db2.gz OTUUOXVXMLWPAX-NSHDSACASA-N -1 0 358.372 -0.140 20 0 FBADRM O=S(=O)(c1nnc(Cc2cccs2)[n-]1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000278163566 244130269 /nfs/dbraw/zinc/13/02/69/244130269.db2.gz JDUQNSMSECDHQC-BDAKNGLRSA-N -1 0 363.442 -0.611 20 0 FBADRM O=S(=O)(c1nnc(Cc2cccs2)[n-]1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000278163567 244128618 /nfs/dbraw/zinc/12/86/18/244128618.db2.gz JDUQNSMSECDHQC-DTWKUNHWSA-N -1 0 363.442 -0.611 20 0 FBADRM O=S(=O)(c1nnc(Cc2cccs2)[n-]1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000278163568 244130337 /nfs/dbraw/zinc/13/03/37/244130337.db2.gz JDUQNSMSECDHQC-IUCAKERBSA-N -1 0 363.442 -0.611 20 0 FBADRM O=S(=O)(c1nnc(Cc2cccs2)[n-]1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000278163570 244129281 /nfs/dbraw/zinc/12/92/81/244129281.db2.gz JDUQNSMSECDHQC-RKDXNWHRSA-N -1 0 363.442 -0.611 20 0 FBADRM CN(C)C(=O)c1cccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c1 ZINC000278169057 244130209 /nfs/dbraw/zinc/13/02/09/244130209.db2.gz DDTSKJSCEFTVOM-UHFFFAOYSA-N -1 0 357.388 -0.742 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1cncc(Br)c1 ZINC000278171287 244129681 /nfs/dbraw/zinc/12/96/81/244129681.db2.gz DFKIGWOUQPUXRY-UHFFFAOYSA-N -1 0 366.193 -0.287 20 0 FBADRM CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])ccc21 ZINC000278175547 244128680 /nfs/dbraw/zinc/12/86/80/244128680.db2.gz DPRNDBKVKJMLGJ-UHFFFAOYSA-N -1 0 369.399 -0.535 20 0 FBADRM CC(=O)Nc1cc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])ccc1F ZINC000278180350 244129458 /nfs/dbraw/zinc/12/94/58/244129458.db2.gz FBCZYUREUZZAOB-UHFFFAOYSA-N -1 0 361.351 -0.347 20 0 FBADRM Cc1c(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cnn1-c1ccccn1 ZINC000278186690 244128654 /nfs/dbraw/zinc/12/86/54/244128654.db2.gz FPSGTUODDORBHA-UHFFFAOYSA-N -1 0 367.387 -0.555 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1C ZINC000278188587 244130409 /nfs/dbraw/zinc/13/04/09/244130409.db2.gz FWTHZCIQPQOHQA-UHFFFAOYSA-N -1 0 358.372 -0.349 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000278199877 244129728 /nfs/dbraw/zinc/12/97/28/244129728.db2.gz GXMJADICJHABDJ-UHFFFAOYSA-N -1 0 371.371 -0.488 20 0 FBADRM COC(=O)c1ccc(OC)c(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c1 ZINC000278202128 244127865 /nfs/dbraw/zinc/12/78/65/244127865.db2.gz HDGXRTGGTKMKKI-UHFFFAOYSA-N -1 0 374.371 -0.649 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])s1 ZINC000278206318 244128395 /nfs/dbraw/zinc/12/83/95/244128395.db2.gz HMERQMXGVLKNMN-UHFFFAOYSA-N -1 0 350.374 -0.596 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1 ZINC000278208113 244130378 /nfs/dbraw/zinc/13/03/78/244130378.db2.gz HODUZQWRWMLBJK-UHFFFAOYSA-N -1 0 358.372 -0.268 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])ccc1C ZINC000278208272 244130086 /nfs/dbraw/zinc/13/00/86/244130086.db2.gz HPEUWDIUNRMFDG-UHFFFAOYSA-N -1 0 358.372 -0.349 20 0 FBADRM CCOC(=O)CC[C@H](NS(=O)(=O)c1c[nH]c(C(=O)OC)c1)C(=O)[O-] ZINC000278210490 244129670 /nfs/dbraw/zinc/12/96/70/244129670.db2.gz SRDOQQPOWCAPAG-VIFPVBQESA-N -1 0 362.360 -0.124 20 0 FBADRM CN1C(=O)Cc2cc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])ccc21 ZINC000278214553 536320163 /nfs/dbraw/zinc/32/01/63/536320163.db2.gz IHTCKLYVEWGCBO-UHFFFAOYSA-N -1 0 355.372 -0.925 20 0 FBADRM COC(=O)c1ccccc1CS(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000278219937 244131461 /nfs/dbraw/zinc/13/14/61/244131461.db2.gz JBACCGNKZJBOOZ-UHFFFAOYSA-N -1 0 358.372 -0.517 20 0 FBADRM CCOC(=O)CC[C@H](NS(=O)(=O)c1cccc(C(N)=O)c1)C(=O)[O-] ZINC000278227184 244132096 /nfs/dbraw/zinc/13/20/96/244132096.db2.gz UXGQGWUIKIZQFF-NSHDSACASA-N -1 0 358.372 -0.140 20 0 FBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc(CNS(C)(=O)=O)cc2)c1[O-] ZINC000278227332 244132788 /nfs/dbraw/zinc/13/27/88/244132788.db2.gz RVBUYOWNZBEQGX-LLVKDONJSA-N -1 0 355.372 -0.276 20 0 FBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc(CNS(C)(=O)=O)cc2)c1[O-] ZINC000278227339 244132554 /nfs/dbraw/zinc/13/25/54/244132554.db2.gz RVBUYOWNZBEQGX-NSHDSACASA-N -1 0 355.372 -0.276 20 0 FBADRM COC(=O)c1ccc(CS(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1 ZINC000278228180 536708276 /nfs/dbraw/zinc/70/82/76/536708276.db2.gz JYMPFCSMHNTPHI-UHFFFAOYSA-N -1 0 358.372 -0.517 20 0 FBADRM COC(=O)Cc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])s1 ZINC000278231264 536367450 /nfs/dbraw/zinc/36/74/50/536367450.db2.gz KJXOLQBFZHOZMV-UHFFFAOYSA-N -1 0 364.401 -0.667 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c1C ZINC000278236755 244132897 /nfs/dbraw/zinc/13/28/97/244132897.db2.gz KXNZOFTZPIUKCZ-UHFFFAOYSA-N -1 0 358.372 -0.349 20 0 FBADRM COC(=O)c1csc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c1 ZINC000278238731 244131171 /nfs/dbraw/zinc/13/11/71/244131171.db2.gz LFDZLNZJBRYMNX-UHFFFAOYSA-N -1 0 350.374 -0.596 20 0 FBADRM CCOC(=O)CC[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)[O-] ZINC000278241104 244133196 /nfs/dbraw/zinc/13/31/96/244133196.db2.gz WBKRERAXRKCLBE-JTQLQIEISA-N -1 0 371.371 -0.069 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cn1C ZINC000278242296 535683991 /nfs/dbraw/zinc/68/39/91/535683991.db2.gz LNIVLAMITXEENF-UHFFFAOYSA-N -1 0 361.376 -0.929 20 0 FBADRM CC(=O)N1CCc2ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc21 ZINC000278245843 244131386 /nfs/dbraw/zinc/13/13/86/244131386.db2.gz LWRIHAUWCJIXAX-UHFFFAOYSA-N -1 0 369.399 -0.535 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000278250830 244131825 /nfs/dbraw/zinc/13/18/25/244131825.db2.gz MMSDINPLKHAXQK-UHFFFAOYSA-N -1 0 355.294 -0.030 20 0 FBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc(C)c(S(=O)(=O)NC)c2)c1[O-] ZINC000278254455 244133287 /nfs/dbraw/zinc/13/32/87/244133287.db2.gz ZYGYURGTGZEHCP-LLVKDONJSA-N -1 0 355.372 -0.109 20 0 FBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc(C)c(S(=O)(=O)NC)c2)c1[O-] ZINC000278254457 244133597 /nfs/dbraw/zinc/13/35/97/244133597.db2.gz ZYGYURGTGZEHCP-NSHDSACASA-N -1 0 355.372 -0.109 20 0 FBADRM COC(=O)c1cc(C)c(C)c(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c1 ZINC000278256232 244131709 /nfs/dbraw/zinc/13/17/09/244131709.db2.gz NCZVXLYAZDQNAU-UHFFFAOYSA-N -1 0 372.399 -0.041 20 0 FBADRM CCC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1 ZINC000278257953 244131607 /nfs/dbraw/zinc/13/16/07/244131607.db2.gz NIRNTPOTSWCWHE-UHFFFAOYSA-N -1 0 357.388 -0.096 20 0 FBADRM COc1cc(F)c(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1OC ZINC000278259405 244131743 /nfs/dbraw/zinc/13/17/43/244131743.db2.gz NLFHHMPTOJHNIF-UHFFFAOYSA-N -1 0 364.351 -0.288 20 0 FBADRM COC(=O)c1cc(F)ccc1S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000278261097 244132686 /nfs/dbraw/zinc/13/26/86/244132686.db2.gz NUQJTAXQYFRBID-UHFFFAOYSA-N -1 0 362.335 -0.519 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCCC(C)(C)[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000278263004 244131539 /nfs/dbraw/zinc/13/15/39/244131539.db2.gz NQMGMZNICURVBK-JTQLQIEISA-N -1 0 359.404 -0.652 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCCC(C)(C)[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000278263009 244132168 /nfs/dbraw/zinc/13/21/68/244132168.db2.gz NQMGMZNICURVBK-SNVBAGLBSA-N -1 0 359.404 -0.652 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000278270587 244132744 /nfs/dbraw/zinc/13/27/44/244132744.db2.gz OSYGGGAAJVPMLM-UHFFFAOYSA-N -1 0 372.399 -0.370 20 0 FBADRM CC1(c2ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc2)OCCO1 ZINC000278272315 244132608 /nfs/dbraw/zinc/13/26/08/244132608.db2.gz OXKUQIFFWNGDGY-UHFFFAOYSA-N -1 0 372.399 -0.225 20 0 FBADRM C[C@H]1C(=O)Nc2ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc21 ZINC000278272342 244131203 /nfs/dbraw/zinc/13/12/03/244131203.db2.gz OXUJMYCFMZIPJJ-MRVPVSSYSA-N -1 0 355.372 -0.389 20 0 FBADRM C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc21 ZINC000278272347 244131434 /nfs/dbraw/zinc/13/14/34/244131434.db2.gz OXUJMYCFMZIPJJ-QMMMGPOBSA-N -1 0 355.372 -0.389 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000278276566 244131442 /nfs/dbraw/zinc/13/14/42/244131442.db2.gz PJFSAMZFIDFCKJ-UHFFFAOYSA-N -1 0 369.399 -0.317 20 0 FBADRM COc1ccc(NC(C)=O)cc1S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000278278823 244132455 /nfs/dbraw/zinc/13/24/55/244132455.db2.gz PQIWMVUTROPMHO-UHFFFAOYSA-N -1 0 373.387 -0.477 20 0 FBADRM COC(=O)c1ccc(F)cc1S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000278280611 536724901 /nfs/dbraw/zinc/72/49/01/536724901.db2.gz PUBAZYUFCVTDKP-UHFFFAOYSA-N -1 0 362.335 -0.519 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000278284987 244131564 /nfs/dbraw/zinc/13/15/64/244131564.db2.gz QEYNVNXWNSLEMY-UHFFFAOYSA-N -1 0 358.298 -0.685 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000278286931 244130958 /nfs/dbraw/zinc/13/09/58/244130958.db2.gz QINWOARDNGUWGA-UHFFFAOYSA-N -1 0 373.362 -0.420 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])s1 ZINC000278291396 244133564 /nfs/dbraw/zinc/13/35/64/244133564.db2.gz QUFSOXYFAKDBQM-UHFFFAOYSA-N -1 0 363.417 -0.747 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000278293950 244132024 /nfs/dbraw/zinc/13/20/24/244132024.db2.gz QXEWNJJYCPLYMF-UHFFFAOYSA-N -1 0 369.399 -0.169 20 0 FBADRM CC(=O)Nc1cc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])ccc1C ZINC000278298247 244131768 /nfs/dbraw/zinc/13/17/68/244131768.db2.gz RFFRPFSSLXDZEX-UHFFFAOYSA-N -1 0 357.388 -0.177 20 0 FBADRM COC(=O)c1ccc(C)c(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c1 ZINC000278302822 536644092 /nfs/dbraw/zinc/64/40/92/536644092.db2.gz RRXMKDJQOZMCQK-UHFFFAOYSA-N -1 0 358.372 -0.349 20 0 FBADRM COC(=O)c1cc(C)ccc1S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000278312641 244132338 /nfs/dbraw/zinc/13/23/38/244132338.db2.gz SNHYRJUAWDMUMG-UHFFFAOYSA-N -1 0 358.372 -0.349 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1F ZINC000278313037 244131147 /nfs/dbraw/zinc/13/11/47/244131147.db2.gz SPDSKRNNALIQQC-UHFFFAOYSA-N -1 0 362.335 -0.519 20 0 FBADRM CCOC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c1 ZINC000278319183 244131469 /nfs/dbraw/zinc/13/14/69/244131469.db2.gz TWUVAVYVUJYEDA-UHFFFAOYSA-N -1 0 358.372 -0.268 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000278325550 244136261 /nfs/dbraw/zinc/13/62/61/244136261.db2.gz UMJWNDNQDWGOBZ-UHFFFAOYSA-N -1 0 366.399 -0.199 20 0 FBADRM COC(=O)c1sccc1S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000278329266 244136700 /nfs/dbraw/zinc/13/67/00/244136700.db2.gz UUNRCRPBTIHPIV-UHFFFAOYSA-N -1 0 350.374 -0.596 20 0 FBADRM COC(=O)c1cccc(CS(=O)(=O)NCCC(=O)NCC(=O)[O-])c1 ZINC000278333314 244135357 /nfs/dbraw/zinc/13/53/57/244135357.db2.gz VHAYPXNCZNEVQP-UHFFFAOYSA-N -1 0 358.372 -0.517 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc12 ZINC000278335015 244135228 /nfs/dbraw/zinc/13/52/28/244135228.db2.gz VLFUOURDMCCYQT-UHFFFAOYSA-N -1 0 355.376 -0.854 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1ccc(Br)cn1 ZINC000278342793 244134057 /nfs/dbraw/zinc/13/40/57/244134057.db2.gz WERQXIPCBXQZQU-UHFFFAOYSA-N -1 0 366.193 -0.287 20 0 FBADRM CCOCCOc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1 ZINC000278351919 244136819 /nfs/dbraw/zinc/13/68/19/244136819.db2.gz XFOSXBFUBSBYKY-UHFFFAOYSA-N -1 0 374.415 -0.029 20 0 FBADRM COC(=O)c1ccc(F)c(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c1 ZINC000278367850 536721293 /nfs/dbraw/zinc/72/12/93/536721293.db2.gz ZFDIDWDKCBNVLM-UHFFFAOYSA-N -1 0 362.335 -0.519 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1=O ZINC000278466254 244136074 /nfs/dbraw/zinc/13/60/74/244136074.db2.gz BXKNGGOCXZZCDL-HNNXBMFYSA-N -1 0 366.399 -0.114 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1=O ZINC000278466256 536073659 /nfs/dbraw/zinc/07/36/59/536073659.db2.gz BXKNGGOCXZZCDL-OAHLLOKOSA-N -1 0 366.399 -0.114 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CNC(=O)c1cccc(Cl)c1 ZINC000278525072 244135162 /nfs/dbraw/zinc/13/51/62/244135162.db2.gz CLWMCCVBQKRSPS-UHFFFAOYSA-N -1 0 361.807 -0.348 20 0 FBADRM COCCCOc1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cn1 ZINC000278535055 244140072 /nfs/dbraw/zinc/14/00/72/244140072.db2.gz DTFRLGPAVUNEOJ-UHFFFAOYSA-N -1 0 359.404 -0.307 20 0 FBADRM CC[C@]1(C)NC(=O)N(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1=O ZINC000278541285 535942674 /nfs/dbraw/zinc/94/26/74/535942674.db2.gz AEQHQBIYBGZSLO-INIZCTEOSA-N -1 0 360.374 -0.066 20 0 FBADRM CC[C@@]1(C)NC(=O)N(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1=O ZINC000278541291 244138775 /nfs/dbraw/zinc/13/87/75/244138775.db2.gz AEQHQBIYBGZSLO-MRXNPFEDSA-N -1 0 360.374 -0.066 20 0 FBADRM Cc1cc([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)nc(N2CCOCC2)n1 ZINC000278555816 244139251 /nfs/dbraw/zinc/13/92/51/244139251.db2.gz LZSPUIRXXHRNJP-LLVKDONJSA-N -1 0 357.436 -0.160 20 0 FBADRM Cc1cc([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)nc(N2CCOCC2)n1 ZINC000278555818 244139130 /nfs/dbraw/zinc/13/91/30/244139130.db2.gz LZSPUIRXXHRNJP-NSHDSACASA-N -1 0 357.436 -0.160 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCCNC(=O)c1ccc(F)cc1 ZINC000278574812 244139012 /nfs/dbraw/zinc/13/90/12/244139012.db2.gz IXGBEDYBDUNBHX-UHFFFAOYSA-N -1 0 373.406 -0.082 20 0 FBADRM C[C@H]1OCCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)[C@@H]1C(=O)[O-] ZINC000278578568 244139048 /nfs/dbraw/zinc/13/90/48/244139048.db2.gz DDVGXMFYYLYXIR-RNCFNFMXSA-N -1 0 354.384 -0.165 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cncc(N3CCCC3)n2)c(=O)n(C)c1=O ZINC000278598593 244140999 /nfs/dbraw/zinc/14/09/99/244140999.db2.gz QMQDYZNUURUVPU-UHFFFAOYSA-N -1 0 366.403 -0.725 20 0 FBADRM COc1ccccc1C(=O)NCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000278604437 536995595 /nfs/dbraw/zinc/99/55/95/536995595.db2.gz LIISEYVQUAABPM-UHFFFAOYSA-N -1 0 357.388 -0.993 20 0 FBADRM C[C@H]1OCCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@@H]1C(=O)[O-] ZINC000278617133 244140940 /nfs/dbraw/zinc/14/09/40/244140940.db2.gz GZIMUPLQSUCDFJ-HQJQHLMTSA-N -1 0 369.355 -0.096 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])cc1C(N)=O ZINC000278622295 244140385 /nfs/dbraw/zinc/14/03/85/244140385.db2.gz HILVUCNSXVZSPO-PELKAZGASA-N -1 0 358.372 -0.343 20 0 FBADRM C[C@H]1OCCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)[C@@H]1C(=O)[O-] ZINC000278638022 244138217 /nfs/dbraw/zinc/13/82/17/244138217.db2.gz INXXOTSMBBSRSU-SKDRFNHKSA-N -1 0 363.413 -0.047 20 0 FBADRM C[C@H]1OCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)[C@@H]1C(=O)[O-] ZINC000278638197 244139941 /nfs/dbraw/zinc/13/99/41/244139941.db2.gz IRGKDXALERXAOM-SKDRFNHKSA-N -1 0 353.360 -0.475 20 0 FBADRM C[C@H]1OCCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)[C@@H]1C(=O)[O-] ZINC000278640851 244141165 /nfs/dbraw/zinc/14/11/65/244141165.db2.gz IXIQBBGYALWPFM-PELKAZGASA-N -1 0 356.356 -0.006 20 0 FBADRM C[C@H]1OCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)[C@@H]1C(=O)[O-] ZINC000278657067 244138505 /nfs/dbraw/zinc/13/85/05/244138505.db2.gz KBKCWQHWJYAUPM-SKDRFNHKSA-N -1 0 363.413 -0.047 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000278701092 244141991 /nfs/dbraw/zinc/14/19/91/244141991.db2.gz RZQZCJKWPDMWPV-UHFFFAOYSA-N -1 0 363.342 -0.723 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@H]1CCCO1 ZINC000278706211 244142364 /nfs/dbraw/zinc/14/23/64/244142364.db2.gz KFUXVJFSOJMGNF-GHMZBOCLSA-N -1 0 370.387 -0.092 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@@H]1CCCO1 ZINC000278706213 244141868 /nfs/dbraw/zinc/14/18/68/244141868.db2.gz KFUXVJFSOJMGNF-MNOVXSKESA-N -1 0 370.387 -0.092 20 0 FBADRM COC[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@@H]1CCCO1 ZINC000278706216 244143416 /nfs/dbraw/zinc/14/34/16/244143416.db2.gz KFUXVJFSOJMGNF-QWRGUYRKSA-N -1 0 370.387 -0.092 20 0 FBADRM COC[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@H]1CCCO1 ZINC000278706219 244144652 /nfs/dbraw/zinc/14/46/52/244144652.db2.gz KFUXVJFSOJMGNF-WDEREUQCSA-N -1 0 370.387 -0.092 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC000278707212 244144400 /nfs/dbraw/zinc/14/44/00/244144400.db2.gz SLSWZQIPDHZKBF-UHFFFAOYSA-N -1 0 363.342 -0.723 20 0 FBADRM CCOc1ccccc1C(=O)NCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000278711983 535492521 /nfs/dbraw/zinc/49/25/21/535492521.db2.gz SZJBTBJVJFHVGP-UHFFFAOYSA-N -1 0 371.415 -0.603 20 0 FBADRM CCOc1ccc(C(=O)NCC(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000278729975 244142154 /nfs/dbraw/zinc/14/21/54/244142154.db2.gz VCPQEPCFVGPOIN-UHFFFAOYSA-N -1 0 371.415 -0.603 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000278737170 244144873 /nfs/dbraw/zinc/14/48/73/244144873.db2.gz VROZJCHIJLYXSA-UHFFFAOYSA-N -1 0 368.415 -0.239 20 0 FBADRM C[C@H]1OCCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)[C@@H]1C(=O)[O-] ZINC000278739772 244143982 /nfs/dbraw/zinc/14/39/82/244143982.db2.gz QFDUXUSPRDWDIV-SKDRFNHKSA-N -1 0 353.360 -0.475 20 0 FBADRM Cc1cc(C)cc(C(=O)NCC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000278777305 244144298 /nfs/dbraw/zinc/14/42/98/244144298.db2.gz YPHJGPKCXHGTPX-UHFFFAOYSA-N -1 0 355.416 -0.385 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000278781610 244144539 /nfs/dbraw/zinc/14/45/39/244144539.db2.gz ZALDNXDOVJFJOQ-UHFFFAOYSA-N -1 0 367.383 -0.745 20 0 FBADRM C[C@H]1OCCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)[C@@H]1C(=O)[O-] ZINC000278787856 244144469 /nfs/dbraw/zinc/14/44/69/244144469.db2.gz UUZHZDZRECWLGJ-RNCFNFMXSA-N -1 0 369.399 -0.260 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)C1=O ZINC000278788685 536072995 /nfs/dbraw/zinc/07/29/95/536072995.db2.gz WVLJJNJXANJQIW-CYBMUJFWSA-N -1 0 365.375 -0.424 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)C1=O ZINC000278788693 244144736 /nfs/dbraw/zinc/14/47/36/244144736.db2.gz WVLJJNJXANJQIW-ZDUSSCGKSA-N -1 0 365.375 -0.424 20 0 FBADRM O=C1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CN1CC1CC1 ZINC000278823782 244147804 /nfs/dbraw/zinc/14/78/04/244147804.db2.gz UBJSVPLQQKMQPV-UHFFFAOYSA-N -1 0 365.371 -0.364 20 0 FBADRM C[C@@H]1OCC[C@]1(O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000278853168 244147743 /nfs/dbraw/zinc/14/77/43/244147743.db2.gz XBOULJBRVYSOTD-CPFSXVBKSA-N -1 0 356.360 -0.746 20 0 FBADRM C[C@H]1OCC[C@@]1(O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000278853170 244148642 /nfs/dbraw/zinc/14/86/42/244148642.db2.gz XBOULJBRVYSOTD-FUXBKTLASA-N -1 0 356.360 -0.746 20 0 FBADRM C[C@H]1OCC[C@]1(O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000278853172 244147307 /nfs/dbraw/zinc/14/73/07/244147307.db2.gz XBOULJBRVYSOTD-UHLUBPPHSA-N -1 0 356.360 -0.746 20 0 FBADRM C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000278853175 244147432 /nfs/dbraw/zinc/14/74/32/244147432.db2.gz XBOULJBRVYSOTD-WPPNPWJKSA-N -1 0 356.360 -0.746 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000278922924 536313896 /nfs/dbraw/zinc/31/38/96/536313896.db2.gz CTAXVEYABLIGLL-SCZZXKLOSA-N -1 0 367.324 -0.420 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000278922929 244147188 /nfs/dbraw/zinc/14/71/88/244147188.db2.gz CTAXVEYABLIGLL-WPRPVWTQSA-N -1 0 367.324 -0.420 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000279037001 244150035 /nfs/dbraw/zinc/15/00/35/244150035.db2.gz FLAZNZAOCDLIIB-UHFFFAOYSA-N -1 0 356.278 -0.094 20 0 FBADRM COc1cc(Cl)c(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1OC ZINC000279053967 244151200 /nfs/dbraw/zinc/15/12/00/244151200.db2.gz HSXLHCWBHDTHJB-UHFFFAOYSA-N -1 0 366.779 -0.164 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)N2CC(=O)N(C3CC3)C2)cc1 ZINC000279070950 244152837 /nfs/dbraw/zinc/15/28/37/244152837.db2.gz CXIGDAINFMVEGM-UHFFFAOYSA-N -1 0 367.383 -0.546 20 0 FBADRM O=C1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CN1C1CC1 ZINC000279107072 244153007 /nfs/dbraw/zinc/15/30/07/244153007.db2.gz JVFOQDSQJISJOP-UHFFFAOYSA-N -1 0 351.344 -0.611 20 0 FBADRM CC(=O)N1CCc2cc(S(=O)(=O)NCCc3nc(=O)o[n-]3)ccc21 ZINC000279164938 244155866 /nfs/dbraw/zinc/15/58/66/244155866.db2.gz CEUNSWZJVBBQDM-UHFFFAOYSA-N -1 0 352.372 -0.207 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c(OC)c1 ZINC000279238063 244156719 /nfs/dbraw/zinc/15/67/19/244156719.db2.gz JRTFXXSGPILCBR-JTQLQIEISA-N -1 0 359.356 -0.044 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c(OC)c1 ZINC000279238065 244156084 /nfs/dbraw/zinc/15/60/84/244156084.db2.gz JRTFXXSGPILCBR-SNVBAGLBSA-N -1 0 359.356 -0.044 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c(OC)c1 ZINC000279238107 657991877 /nfs/dbraw/zinc/99/18/77/657991877.db2.gz JSKIHTLJYWAQMH-SECBINFHSA-N -1 0 374.371 -0.521 20 0 FBADRM O=C([O-])[C@@H]1CCN1S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000279241926 244154676 /nfs/dbraw/zinc/15/46/76/244154676.db2.gz KFMVZJCDGXSOON-LBPRGKRZSA-N -1 0 360.413 -0.025 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c(OC)c1 ZINC000279262527 244158288 /nfs/dbraw/zinc/15/82/88/244158288.db2.gz MJDCGSVBZQHLCY-NXEZZACHSA-N -1 0 359.356 -0.310 20 0 FBADRM CCOC(=O)CN(CC(N)=O)C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000279337994 244160741 /nfs/dbraw/zinc/16/07/41/244160741.db2.gz YRRBSBVCSXSWRT-JTQLQIEISA-N -1 0 355.313 -0.434 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c(OC)c1 ZINC000279348834 662152997 /nfs/dbraw/zinc/15/29/97/662152997.db2.gz VIRDXGOOGVGMFT-MRVPVSSYSA-N -1 0 360.344 -0.911 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c(OC)c1 ZINC000279348841 662153040 /nfs/dbraw/zinc/15/30/40/662153040.db2.gz VIRDXGOOGVGMFT-QMMMGPOBSA-N -1 0 360.344 -0.911 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279405928 244162321 /nfs/dbraw/zinc/16/23/21/244162321.db2.gz HECCUIGTLQEKCJ-ISVAXAHUSA-N -1 0 364.324 -0.110 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279405929 244163980 /nfs/dbraw/zinc/16/39/80/244163980.db2.gz HECCUIGTLQEKCJ-SDBXPKJASA-N -1 0 364.324 -0.110 20 0 FBADRM CC(=O)N1CCc2ccc(S(=O)(=O)NCCc3nc(=O)o[n-]3)cc21 ZINC000279468882 244162575 /nfs/dbraw/zinc/16/25/75/244162575.db2.gz MTLZCGVSLWULEO-UHFFFAOYSA-N -1 0 352.372 -0.207 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000279507434 244167116 /nfs/dbraw/zinc/16/71/16/244167116.db2.gz RBPONKBQUYTWJW-UHFFFAOYSA-N -1 0 361.401 -0.404 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCCc2nc(=O)o[n-]2)cc(F)c1F ZINC000279518487 244165801 /nfs/dbraw/zinc/16/58/01/244165801.db2.gz SLZDWJMXEJKLEI-UHFFFAOYSA-N -1 0 363.298 -0.051 20 0 FBADRM Cn1c2ccc(S(=O)(=O)NCCc3nc(=O)o[n-]3)cc2n(C)c1=O ZINC000279520207 244165693 /nfs/dbraw/zinc/16/56/93/244165693.db2.gz SNPGUJNDHLPOBQ-UHFFFAOYSA-N -1 0 353.360 -0.926 20 0 FBADRM O=C(CCS(=O)(=O)NCCc1nc(=O)o[n-]1)OCc1ccccc1 ZINC000279520264 244167285 /nfs/dbraw/zinc/16/72/85/244167285.db2.gz SPKNFCMVZZVLLP-UHFFFAOYSA-N -1 0 355.372 -0.042 20 0 FBADRM O=C(c1ccc2c(c1)S(=O)(=O)[N-]c1ncnn1-2)N1CC(=O)N(C2CC2)C1 ZINC000279618830 244168305 /nfs/dbraw/zinc/16/83/05/244168305.db2.gz RXCLALAALDPULY-UHFFFAOYSA-N -1 0 374.382 -0.214 20 0 FBADRM COC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000279766349 244174500 /nfs/dbraw/zinc/17/45/00/244174500.db2.gz BAFVPBUUILKURG-LLVKDONJSA-N -1 0 358.416 -0.086 20 0 FBADRM COC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000279766352 536855638 /nfs/dbraw/zinc/85/56/38/536855638.db2.gz BAFVPBUUILKURG-NSHDSACASA-N -1 0 358.416 -0.086 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000279810557 534873790 /nfs/dbraw/zinc/87/37/90/534873790.db2.gz YXYGGEWPEFVOHX-UHFFFAOYSA-N -1 0 368.371 -0.797 20 0 FBADRM C[C@](CO)(CNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)CC(=O)[O-] ZINC000279870691 244175432 /nfs/dbraw/zinc/17/54/32/244175432.db2.gz ADQLVKFBKZMIEK-GFCCVEGCSA-N -1 0 366.417 -0.763 20 0 FBADRM C[C@@](CO)(CNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)CC(=O)[O-] ZINC000279870697 244175101 /nfs/dbraw/zinc/17/51/01/244175101.db2.gz ADQLVKFBKZMIEK-LBPRGKRZSA-N -1 0 366.417 -0.763 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])cn1 ZINC000279879434 244175204 /nfs/dbraw/zinc/17/52/04/244175204.db2.gz AWODEFQKDRXORQ-SSDOTTSWSA-N -1 0 358.344 -0.128 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])cn1 ZINC000279879437 244176626 /nfs/dbraw/zinc/17/66/26/244176626.db2.gz AWODEFQKDRXORQ-ZETCQYMHSA-N -1 0 358.344 -0.128 20 0 FBADRM Cc1cc2c(cc1S(=O)(=O)N[C@H](CN1CCOCC1)C(=O)[O-])OCO2 ZINC000279900297 244175420 /nfs/dbraw/zinc/17/54/20/244175420.db2.gz CPCRNBMKBBXKGP-LLVKDONJSA-N -1 0 372.399 -0.213 20 0 FBADRM Cc1cc2c(cc1S(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)[O-])OCO2 ZINC000279900301 244175676 /nfs/dbraw/zinc/17/56/76/244175676.db2.gz CPCRNBMKBBXKGP-NSHDSACASA-N -1 0 372.399 -0.213 20 0 FBADRM COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)cn1 ZINC000279911589 536380543 /nfs/dbraw/zinc/38/05/43/536380543.db2.gz JWPBBIFCRDFKTK-UHFFFAOYSA-N -1 0 374.400 -0.345 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])cn1 ZINC000279976707 483683727 /nfs/dbraw/zinc/68/37/27/483683727.db2.gz KIFDWXHTTIOGNQ-MRVPVSSYSA-N -1 0 352.415 -0.367 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])cn1 ZINC000279976710 483683830 /nfs/dbraw/zinc/68/38/30/483683830.db2.gz KIFDWXHTTIOGNQ-QMMMGPOBSA-N -1 0 352.415 -0.367 20 0 FBADRM COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)n1 ZINC000279987537 483683871 /nfs/dbraw/zinc/68/38/71/483683871.db2.gz QRSWRWULWNLFEZ-UHFFFAOYSA-N -1 0 374.400 -0.345 20 0 FBADRM Cc1cc2c(cc1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1)OCO2 ZINC000279993002 483683635 /nfs/dbraw/zinc/68/36/35/483683635.db2.gz LWMNANMVOACHNH-UHFFFAOYSA-N -1 0 354.344 -0.008 20 0 FBADRM CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000279993190 483683833 /nfs/dbraw/zinc/68/38/33/483683833.db2.gz AVEHIKVHZALVKJ-UHFFFAOYSA-N -1 0 360.779 -0.103 20 0 FBADRM COc1cccc(C[C@H](C(=O)NCCc2nc(=O)o[n-]2)n2nnnc2C)c1 ZINC000279993248 483683641 /nfs/dbraw/zinc/68/36/41/483683641.db2.gz AWCOHBVUBIOUBH-CYBMUJFWSA-N -1 0 373.373 -0.191 20 0 FBADRM COc1cccc(C[C@@H](C(=O)NCCc2nc(=O)o[n-]2)n2nnnc2C)c1 ZINC000279993254 483683721 /nfs/dbraw/zinc/68/37/21/483683721.db2.gz AWCOHBVUBIOUBH-ZDUSSCGKSA-N -1 0 373.373 -0.191 20 0 FBADRM O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NCCc1nc(=O)o[n-]1 ZINC000280002585 244178977 /nfs/dbraw/zinc/17/89/77/244178977.db2.gz BWEGIAXYMSCZHC-KRWDZBQOSA-N -1 0 371.353 -0.585 20 0 FBADRM O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCCc1nc(=O)o[n-]1 ZINC000280002596 244179801 /nfs/dbraw/zinc/17/98/01/244179801.db2.gz BWEGIAXYMSCZHC-QGZVFWFLSA-N -1 0 371.353 -0.585 20 0 FBADRM COCC[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000280012109 244179962 /nfs/dbraw/zinc/17/99/62/244179962.db2.gz NUDVTAHJVBGDSZ-SECBINFHSA-N -1 0 352.390 -0.747 20 0 FBADRM COCC[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000280012113 244178748 /nfs/dbraw/zinc/17/87/48/244178748.db2.gz NUDVTAHJVBGDSZ-VIFPVBQESA-N -1 0 352.390 -0.747 20 0 FBADRM Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NCCc1nc(=O)o[n-]1 ZINC000280016060 244179387 /nfs/dbraw/zinc/17/93/87/244179387.db2.gz CZUOVBJADJLEEC-GFCCVEGCSA-N -1 0 361.337 -0.060 20 0 FBADRM Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NCCc1nc(=O)o[n-]1 ZINC000280016070 244180274 /nfs/dbraw/zinc/18/02/74/244180274.db2.gz CZUOVBJADJLEEC-LBPRGKRZSA-N -1 0 361.337 -0.060 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cn1 ZINC000280021338 244177621 /nfs/dbraw/zinc/17/76/21/244177621.db2.gz OTHFFHSSKSZDTJ-JTQLQIEISA-N -1 0 374.400 -0.818 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cn1 ZINC000280021342 244179098 /nfs/dbraw/zinc/17/90/98/244179098.db2.gz OTHFFHSSKSZDTJ-SNVBAGLBSA-N -1 0 374.400 -0.818 20 0 FBADRM CCC(=O)C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000280023005 244178933 /nfs/dbraw/zinc/17/89/33/244178933.db2.gz OVBYKOBINXGCBZ-JTQLQIEISA-N -1 0 364.401 -0.414 20 0 FBADRM CCC(=O)C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000280023010 244179926 /nfs/dbraw/zinc/17/99/26/244179926.db2.gz OVBYKOBINXGCBZ-SNVBAGLBSA-N -1 0 364.401 -0.414 20 0 FBADRM CCNS(=O)(=O)c1ccc(F)c(C(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000280027311 244179623 /nfs/dbraw/zinc/17/96/23/244179623.db2.gz FCBGAAOVSBCBHV-UHFFFAOYSA-N -1 0 358.351 -0.227 20 0 FBADRM CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nc(=O)o[n-]1 ZINC000280036812 244178457 /nfs/dbraw/zinc/17/84/57/244178457.db2.gz FYBLODYDLNBVBJ-SECBINFHSA-N -1 0 358.351 -0.522 20 0 FBADRM CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nc(=O)o[n-]1 ZINC000280036815 535479228 /nfs/dbraw/zinc/47/92/28/535479228.db2.gz FYBLODYDLNBVBJ-VIFPVBQESA-N -1 0 358.351 -0.522 20 0 FBADRM CN(CC(=O)NCCc1nc(=O)o[n-]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000280036913 244179402 /nfs/dbraw/zinc/17/94/02/244179402.db2.gz FZHSBIJUCUFQCO-UHFFFAOYSA-N -1 0 374.806 -0.004 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000280040765 536877441 /nfs/dbraw/zinc/87/74/41/536877441.db2.gz GIFWYHQCLXNTAG-VIFPVBQESA-N -1 0 370.387 -0.603 20 0 FBADRM CSCC[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000280042146 244179597 /nfs/dbraw/zinc/17/95/97/244179597.db2.gz QVXVEPDUVOLZJA-SECBINFHSA-N -1 0 368.458 -0.030 20 0 FBADRM CSCC[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000280042148 244179639 /nfs/dbraw/zinc/17/96/39/244179639.db2.gz QVXVEPDUVOLZJA-VIFPVBQESA-N -1 0 368.458 -0.030 20 0 FBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000280043966 244179590 /nfs/dbraw/zinc/17/95/90/244179590.db2.gz RDBDXXBUNPHKND-SECBINFHSA-N -1 0 366.417 -0.405 20 0 FBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000280043968 244177495 /nfs/dbraw/zinc/17/74/95/244177495.db2.gz RDBDXXBUNPHKND-VIFPVBQESA-N -1 0 366.417 -0.405 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000280064420 244180217 /nfs/dbraw/zinc/18/02/17/244180217.db2.gz IXHVLVVQIHPEBI-UHFFFAOYSA-N -1 0 370.387 -0.740 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000280073100 244178493 /nfs/dbraw/zinc/17/84/93/244178493.db2.gz JRXNGMSFFJCDNF-SECBINFHSA-N -1 0 372.428 -0.064 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000280073105 244180318 /nfs/dbraw/zinc/18/03/18/244180318.db2.gz JRXNGMSFFJCDNF-VIFPVBQESA-N -1 0 372.428 -0.064 20 0 FBADRM CCN1C(=O)c2ccc(C(=O)NCCc3nc(=O)o[n-]3)cc2S1(=O)=O ZINC000280073328 244178949 /nfs/dbraw/zinc/17/89/49/244178949.db2.gz JVLCSZORGFGLNW-UHFFFAOYSA-N -1 0 366.355 -0.500 20 0 FBADRM COC(=O)CN(C1CC1)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000280076157 244180468 /nfs/dbraw/zinc/18/04/68/244180468.db2.gz VEIFYIKFLGDZAI-UHFFFAOYSA-N -1 0 370.383 -0.173 20 0 FBADRM COCCS(=O)(=O)c1ccc(C(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000280077849 536755563 /nfs/dbraw/zinc/75/55/63/536755563.db2.gz KHAOUVCCKVSFBL-UHFFFAOYSA-N -1 0 355.372 -0.245 20 0 FBADRM Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCc3nc(=O)o[n-]3)C2=O)cc1 ZINC000280082087 244178887 /nfs/dbraw/zinc/17/88/87/244178887.db2.gz KSTPJNCFNVPJGZ-KRWDZBQOSA-N -1 0 373.369 -0.203 20 0 FBADRM Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCc3nc(=O)o[n-]3)C2=O)cc1 ZINC000280082094 244179218 /nfs/dbraw/zinc/17/92/18/244179218.db2.gz KSTPJNCFNVPJGZ-QGZVFWFLSA-N -1 0 373.369 -0.203 20 0 FBADRM CCNS(=O)(=O)c1ccc(C)c(C(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000280083696 244180694 /nfs/dbraw/zinc/18/06/94/244180694.db2.gz KUJHHEVDYWHIKD-UHFFFAOYSA-N -1 0 354.388 -0.058 20 0 FBADRM O=C(CNC(=O)c1ccc(Br)o1)NCCc1nc(=O)o[n-]1 ZINC000280096962 244178695 /nfs/dbraw/zinc/17/86/95/244178695.db2.gz MGHIMSBKAFFQDV-UHFFFAOYSA-N -1 0 359.136 -0.193 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCc1nc(=O)o[n-]1 ZINC000280100772 244179485 /nfs/dbraw/zinc/17/94/85/244179485.db2.gz MPHCDGWPSMKNQA-QMMMGPOBSA-N -1 0 358.351 -0.472 20 0 FBADRM COc1cc(OC)cc(C(=O)NCC(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000280100918 244178121 /nfs/dbraw/zinc/17/81/21/244178121.db2.gz MQBNHRRVHXMKCP-UHFFFAOYSA-N -1 0 350.331 -0.531 20 0 FBADRM CCC1CCC2(CC1)NC(=O)N(CC(=O)NCCc1nc(=O)o[n-]1)C2=O ZINC000280108655 535323338 /nfs/dbraw/zinc/32/33/38/535323338.db2.gz NCRCLWDRJHKLQN-UHFFFAOYSA-N -1 0 365.390 -0.088 20 0 FBADRM C[C@H]1OCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)[C@@H]1C(=O)[O-] ZINC000280114203 244177722 /nfs/dbraw/zinc/17/77/22/244177722.db2.gz YYHDVEASYXFSBB-KCJUWKMLSA-N -1 0 364.401 -0.652 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000280118381 244178794 /nfs/dbraw/zinc/17/87/94/244178794.db2.gz OAHQHKVXTGUDNF-UHFFFAOYSA-N -1 0 352.372 -0.224 20 0 FBADRM Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NCCc1nc(=O)o[n-]1 ZINC000280127677 244179814 /nfs/dbraw/zinc/17/98/14/244179814.db2.gz OZDSYPBHQPFYFQ-GFCCVEGCSA-N -1 0 361.337 -0.060 20 0 FBADRM Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NCCc1nc(=O)o[n-]1 ZINC000280127681 244179613 /nfs/dbraw/zinc/17/96/13/244179613.db2.gz OZDSYPBHQPFYFQ-LBPRGKRZSA-N -1 0 361.337 -0.060 20 0 FBADRM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)NCCc1nc(=O)o[n-]1 ZINC000280134894 244178506 /nfs/dbraw/zinc/17/85/06/244178506.db2.gz PQIRRPNVRRPIGZ-UHFFFAOYSA-N -1 0 360.374 -0.154 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000280154060 244183646 /nfs/dbraw/zinc/18/36/46/244183646.db2.gz RDPMBUCSYSZXBZ-UHFFFAOYSA-N -1 0 370.387 -0.740 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000280156715 244183013 /nfs/dbraw/zinc/18/30/13/244183013.db2.gz RFWTVJKLRHMKBU-UHFFFAOYSA-N -1 0 358.351 -0.275 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000280165755 244184104 /nfs/dbraw/zinc/18/41/04/244184104.db2.gz RUNBEDITWORWAP-GFCCVEGCSA-N -1 0 366.399 -0.125 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000280165773 244183993 /nfs/dbraw/zinc/18/39/93/244183993.db2.gz RUNBEDITWORWAP-LBPRGKRZSA-N -1 0 366.399 -0.125 20 0 FBADRM NC(=O)[C@H]1CC(C(=O)NCCc2nc(=O)o[n-]2)=NN1c1ccc(F)cc1 ZINC000280176973 244182971 /nfs/dbraw/zinc/18/29/71/244182971.db2.gz SSSQWVLWJVJWAS-LLVKDONJSA-N -1 0 362.321 -0.719 20 0 FBADRM NC(=O)[C@@H]1CC(C(=O)NCCc2nc(=O)o[n-]2)=NN1c1ccc(F)cc1 ZINC000280176985 244181119 /nfs/dbraw/zinc/18/11/19/244181119.db2.gz SSSQWVLWJVJWAS-NSHDSACASA-N -1 0 362.321 -0.719 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCc3cc(C(=O)[O-])ccc32)c(=O)n(C)c1=O ZINC000280180903 244183833 /nfs/dbraw/zinc/18/38/33/244183833.db2.gz UKHFSQHIRJVVEI-UHFFFAOYSA-N -1 0 365.367 -0.466 20 0 FBADRM CS(=O)(=O)N1CCc2cc(C(=O)NCCc3nc(=O)o[n-]3)ccc21 ZINC000280184334 244184507 /nfs/dbraw/zinc/18/45/07/244184507.db2.gz UBSHYBCAKQAIOX-UHFFFAOYSA-N -1 0 352.372 -0.343 20 0 FBADRM O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NCCc1nc(=O)o[n-]1 ZINC000280198221 244183409 /nfs/dbraw/zinc/18/34/09/244183409.db2.gz UXZLBMJOHHFAFU-UHFFFAOYSA-N -1 0 372.378 -0.081 20 0 FBADRM O=C(CCNS(=O)(=O)c1ccc(F)cc1)NCCc1nc(=O)o[n-]1 ZINC000280201465 244182414 /nfs/dbraw/zinc/18/24/14/244182414.db2.gz VFGFLYDUQFVCMZ-UHFFFAOYSA-N -1 0 358.351 -0.471 20 0 FBADRM O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)NCCc1nc(=O)o[n-]1 ZINC000280203648 244183425 /nfs/dbraw/zinc/18/34/25/244183425.db2.gz VGMFKVMYUHDVQY-RUZDIDTESA-N -1 0 367.383 -0.009 20 0 FBADRM O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)NCCc1nc(=O)o[n-]1 ZINC000280203655 244184273 /nfs/dbraw/zinc/18/42/73/244184273.db2.gz VGMFKVMYUHDVQY-VWLOTQADSA-N -1 0 367.383 -0.009 20 0 FBADRM O=C(Cn1cc(C(=O)NCCc2nc(=O)o[n-]2)cn1)NC1CCCCC1 ZINC000280211293 244182772 /nfs/dbraw/zinc/18/27/72/244182772.db2.gz WAZAPJFYHCDALV-UHFFFAOYSA-N -1 0 362.390 -0.019 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000280218598 244182917 /nfs/dbraw/zinc/18/29/17/244182917.db2.gz WMRJSWOVAYGBKN-JTQLQIEISA-N -1 0 374.353 -0.154 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000280218607 244181486 /nfs/dbraw/zinc/18/14/86/244181486.db2.gz WMRJSWOVAYGBKN-SNVBAGLBSA-N -1 0 374.353 -0.154 20 0 FBADRM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCc1nc(=O)o[n-]1)C2=O ZINC000280246544 244181697 /nfs/dbraw/zinc/18/16/97/244181697.db2.gz YXNZHCGKTVEPSI-BJOHPYRUSA-N -1 0 351.363 -0.478 20 0 FBADRM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCc1nc(=O)o[n-]1)C2=O ZINC000280246547 244181522 /nfs/dbraw/zinc/18/15/22/244181522.db2.gz YXNZHCGKTVEPSI-PSLIRLAXSA-N -1 0 351.363 -0.478 20 0 FBADRM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCc1nc(=O)o[n-]1)C2=O ZINC000280246553 244182106 /nfs/dbraw/zinc/18/21/06/244182106.db2.gz YXNZHCGKTVEPSI-RFAUZJTJSA-N -1 0 351.363 -0.478 20 0 FBADRM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCc1nc(=O)o[n-]1)C2=O ZINC000280246558 244183605 /nfs/dbraw/zinc/18/36/05/244183605.db2.gz YXNZHCGKTVEPSI-VFZGTOFNSA-N -1 0 351.363 -0.478 20 0 FBADRM C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCCc2nc(=O)o[n-]2)C1=O ZINC000280252148 244186760 /nfs/dbraw/zinc/18/67/60/244186760.db2.gz ZKQCDBWEFGHZOZ-INIZCTEOSA-N -1 0 359.342 -0.511 20 0 FBADRM C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCCc2nc(=O)o[n-]2)C1=O ZINC000280252159 244187126 /nfs/dbraw/zinc/18/71/26/244187126.db2.gz ZKQCDBWEFGHZOZ-MRXNPFEDSA-N -1 0 359.342 -0.511 20 0 FBADRM CSCCO[N-]C(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000280290255 244187524 /nfs/dbraw/zinc/18/75/24/244187524.db2.gz AFZVJBRIWCNKKU-UHFFFAOYSA-N -1 0 351.388 -0.080 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)n1 ZINC000280404544 244189524 /nfs/dbraw/zinc/18/95/24/244189524.db2.gz XZRGKIWSXSCFBG-UHFFFAOYSA-N -1 0 353.360 -0.138 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cc([C@@H]3CCCOC3)[nH]n2)c(=O)n(C)c1=O ZINC000280417623 244189694 /nfs/dbraw/zinc/18/96/94/244189694.db2.gz YZYULZYMENQWJI-SECBINFHSA-N -1 0 369.403 -0.498 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)[nH]n2)c(=O)n(C)c1=O ZINC000280417630 244190218 /nfs/dbraw/zinc/19/02/18/244190218.db2.gz YZYULZYMENQWJI-VIFPVBQESA-N -1 0 369.403 -0.498 20 0 FBADRM O=C(CN1CC(=O)NC1=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000280662017 244197826 /nfs/dbraw/zinc/19/78/26/244197826.db2.gz LGRPBDCKUSGAOL-CABCVRRESA-N -1 0 358.398 -0.350 20 0 FBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC1(S(C)(=O)=O)CC1 ZINC000280700930 244199768 /nfs/dbraw/zinc/19/97/68/244199768.db2.gz GOSCVGDIVRWTPJ-UHFFFAOYSA-N -1 0 352.416 -0.125 20 0 FBADRM COc1cc(Cl)c(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1OC ZINC000280771661 244200689 /nfs/dbraw/zinc/20/06/89/244200689.db2.gz ZCXZUTOXZZZCBD-SSDOTTSWSA-N -1 0 366.779 -0.036 20 0 FBADRM COc1cc(Cl)c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1OC ZINC000280772986 244199238 /nfs/dbraw/zinc/19/92/38/244199238.db2.gz ZCXZUTOXZZZCBD-ZETCQYMHSA-N -1 0 366.779 -0.036 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccsc1C(=O)OC)C(=O)[O-] ZINC000280786075 244200924 /nfs/dbraw/zinc/20/09/24/244200924.db2.gz OGOSSRJLADXSLJ-LURJTMIESA-N -1 0 351.358 -0.171 20 0 FBADRM C[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)N1CCCC1 ZINC000280936223 244206844 /nfs/dbraw/zinc/20/68/44/244206844.db2.gz CGOULLPLHMMIEK-QMMMGPOBSA-N -1 0 367.387 -0.275 20 0 FBADRM C[C@@H]1C(=O)NCCN1C(=O)c1cccc(C(=O)N2CCNC(=O)[C@H]2C)c1[O-] ZINC000280984104 244207301 /nfs/dbraw/zinc/20/73/01/244207301.db2.gz PTHVFUQOSDBLBH-GHMZBOCLSA-N -1 0 374.397 -0.687 20 0 FBADRM C[C@@H]1C(=O)NCCN1C(=O)c1cccc(C(=O)N2CCNC(=O)[C@@H]2C)c1[O-] ZINC000280984107 244206946 /nfs/dbraw/zinc/20/69/46/244206946.db2.gz PTHVFUQOSDBLBH-PHIMTYICSA-N -1 0 374.397 -0.687 20 0 FBADRM C[C@H]1C(=O)NCCN1C(=O)c1cccc(C(=O)N2CCNC(=O)[C@@H]2C)c1[O-] ZINC000280984110 244205511 /nfs/dbraw/zinc/20/55/11/244205511.db2.gz PTHVFUQOSDBLBH-QWRGUYRKSA-N -1 0 374.397 -0.687 20 0 FBADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@H]1C ZINC000281005417 484859686 /nfs/dbraw/zinc/85/96/86/484859686.db2.gz OJQGEMALMHYPSG-GMSGAONNSA-N -1 0 368.371 -0.134 20 0 FBADRM CCOC(=O)CNC(=O)c1cccc(C(=O)NCC(=O)OCC)c1[O-] ZINC000281009708 244207195 /nfs/dbraw/zinc/20/71/95/244207195.db2.gz SCHDFKQVQFUYRY-UHFFFAOYSA-N -1 0 352.343 -0.022 20 0 FBADRM CC1=C(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)Cn2nnnc2N1C ZINC000281011296 244207275 /nfs/dbraw/zinc/20/72/75/244207275.db2.gz SFVFDUQJYZXCOT-UHFFFAOYSA-N -1 0 371.408 -0.741 20 0 FBADRM O=C(CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)NCC(F)F ZINC000281041348 244208948 /nfs/dbraw/zinc/20/89/48/244208948.db2.gz RHVMFCOYZYGZEB-UHFFFAOYSA-N -1 0 363.302 -0.904 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000281108914 483686097 /nfs/dbraw/zinc/68/60/97/483686097.db2.gz GFJVCSZSZXNNMO-UHFFFAOYSA-N -1 0 361.401 -0.323 20 0 FBADRM CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)c1cnc([O-])n(C)c1=O ZINC000281139567 244212667 /nfs/dbraw/zinc/21/26/67/244212667.db2.gz HPADTESXLBPRAY-QWRGUYRKSA-N -1 0 362.365 -0.035 20 0 FBADRM COC(=O)CCNC(=O)c1cccc(C(=O)NCCC(=O)OC)c1[O-] ZINC000281151514 244212493 /nfs/dbraw/zinc/21/24/93/244212493.db2.gz KZLXIPUWLJGUNH-UHFFFAOYSA-N -1 0 352.343 -0.022 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2cccc3nsnc32)C1 ZINC000281168574 244211749 /nfs/dbraw/zinc/21/17/49/244211749.db2.gz BYKWQCFCUPBMBW-MRVPVSSYSA-N -1 0 370.412 -0.097 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2cccc3nsnc32)C1 ZINC000281168578 244212850 /nfs/dbraw/zinc/21/28/50/244212850.db2.gz BYKWQCFCUPBMBW-QMMMGPOBSA-N -1 0 370.412 -0.097 20 0 FBADRM CC[C@@H](OC(=O)CNS(=O)(=O)c1ccc2c(c1)nnn2[O-])C(=O)OC ZINC000281196672 535816601 /nfs/dbraw/zinc/81/66/01/535816601.db2.gz OXOSTMKTCBTPKT-LLVKDONJSA-N -1 0 372.359 -0.558 20 0 FBADRM CC[C@H](OC(=O)CNS(=O)(=O)c1ccc2c(c1)nnn2[O-])C(=O)OC ZINC000281196678 244211370 /nfs/dbraw/zinc/21/13/70/244211370.db2.gz OXOSTMKTCBTPKT-NSHDSACASA-N -1 0 372.359 -0.558 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2n[nH]c(C)c2C(=O)NC)cn1C ZINC000281228072 536407253 /nfs/dbraw/zinc/40/72/53/536407253.db2.gz CBSMCMKNAMQVFL-UHFFFAOYSA-N -1 0 354.392 -0.423 20 0 FBADRM COC(=O)[C@H](C)NC(=O)c1cccc(C(=O)N[C@@H](C)C(=O)OC)c1[O-] ZINC000281252883 536635447 /nfs/dbraw/zinc/63/54/47/536635447.db2.gz UPJXSLUBOXJXNI-IUCAKERBSA-N -1 0 352.343 -0.025 20 0 FBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1cnc2n(c1=O)CCS2)C(=O)[O-] ZINC000281277455 605275319 /nfs/dbraw/zinc/27/53/19/605275319.db2.gz CYOZLJGKCCZMLZ-JTQLQIEISA-N -1 0 368.415 -0.306 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CCC(=O)NCCc2nc(=O)o[n-]2)CC1 ZINC000281278458 534834931 /nfs/dbraw/zinc/83/49/31/534834931.db2.gz RRYITUVIYONJTP-UHFFFAOYSA-N -1 0 369.422 -0.036 20 0 FBADRM COC(=O)CN(C)C(=O)c1cccc(C(=O)N(C)CC(=O)OC)c1[O-] ZINC000281304710 536464641 /nfs/dbraw/zinc/46/46/41/536464641.db2.gz ZBQKXGDKXNNFLE-UHFFFAOYSA-N -1 0 352.343 -0.118 20 0 FBADRM COC(=O)c1cccc(NC(=O)C(=O)[N-]OCC(N)=O)c1OC(C)C ZINC000281324118 244215469 /nfs/dbraw/zinc/21/54/69/244215469.db2.gz BHFPSHSXIGHZGY-UHFFFAOYSA-N -1 0 353.331 -0.268 20 0 FBADRM COC(=O)[C@@H](C)NC(=O)c1cccc(C(=O)N[C@H](C)C(=O)OC)c1[O-] ZINC000281339245 244215051 /nfs/dbraw/zinc/21/50/51/244215051.db2.gz UPJXSLUBOXJXNI-RKDXNWHRSA-N -1 0 352.343 -0.025 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)N(CCO)CC(=O)[O-])OCC(=O)N2 ZINC000281370954 244215320 /nfs/dbraw/zinc/21/53/20/244215320.db2.gz CMEZMOPXYBIHEM-UHFFFAOYSA-N -1 0 360.344 -0.906 20 0 FBADRM Cc1nn(C)c(C)c1C(=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000281380419 244216553 /nfs/dbraw/zinc/21/65/53/244216553.db2.gz SOIKKJRCBDTSNP-NSHDSACASA-N -1 0 352.391 -0.049 20 0 FBADRM CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000281413247 536402561 /nfs/dbraw/zinc/40/25/61/536402561.db2.gz OFYRYTHZQQXZNA-UHFFFAOYSA-N -1 0 373.416 -0.323 20 0 FBADRM COc1ccc(-n2cc([O-])c(C(=O)NC[C@H]3CC(C(N)=O)=NO3)n2)cc1 ZINC000281468408 244219246 /nfs/dbraw/zinc/21/92/46/244219246.db2.gz DJFAGXOSXNUOIF-LLVKDONJSA-N -1 0 359.342 -0.054 20 0 FBADRM COc1ccc(-n2cc([O-])c(C(=O)NC[C@@H]3CC(C(N)=O)=NO3)n2)cc1 ZINC000281468415 244219273 /nfs/dbraw/zinc/21/92/73/244219273.db2.gz DJFAGXOSXNUOIF-NSHDSACASA-N -1 0 359.342 -0.054 20 0 FBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000281481389 244221383 /nfs/dbraw/zinc/22/13/83/244221383.db2.gz FAAQDLFLRMSHLB-UHFFFAOYSA-N -1 0 371.357 -0.241 20 0 FBADRM Cn1cc(/C=C/C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)c(=O)n(C)c1=O ZINC000281671588 244226835 /nfs/dbraw/zinc/22/68/35/244226835.db2.gz LQCOSDUOIHSZKK-AATRIKPKSA-N -1 0 361.358 -0.248 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC000281712245 244228181 /nfs/dbraw/zinc/22/81/81/244228181.db2.gz CLDLWEOWUIJHLG-UHFFFAOYSA-N -1 0 354.406 -0.355 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cc1OC ZINC000281712253 244227316 /nfs/dbraw/zinc/22/73/16/244227316.db2.gz CLEZDSGBDXTXAJ-LLVKDONJSA-N -1 0 359.356 -0.044 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cc1OC ZINC000281712257 244226630 /nfs/dbraw/zinc/22/66/30/244226630.db2.gz CLEZDSGBDXTXAJ-NSHDSACASA-N -1 0 359.356 -0.044 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)NCCc2cccc(C(=O)[O-])n2)cn1C ZINC000281719759 536406133 /nfs/dbraw/zinc/40/61/33/536406133.db2.gz CZZDWBBSWZAJSA-UHFFFAOYSA-N -1 0 366.399 -0.001 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1)C(=O)[O-] ZINC000281766406 244230418 /nfs/dbraw/zinc/23/04/18/244230418.db2.gz GMBMBBBWCDDOSS-VIFPVBQESA-N -1 0 364.763 -0.267 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1OC ZINC000281781424 244230260 /nfs/dbraw/zinc/23/02/60/244230260.db2.gz HHBLHDUEPFLPOG-SECBINFHSA-N -1 0 360.344 -0.911 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1OC ZINC000281781428 244229671 /nfs/dbraw/zinc/22/96/71/244229671.db2.gz HHBLHDUEPFLPOG-VIFPVBQESA-N -1 0 360.344 -0.911 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cc1OC ZINC000281787106 244228837 /nfs/dbraw/zinc/22/88/37/244228837.db2.gz HQTKXNXEDOSTSE-JTQLQIEISA-N -1 0 374.371 -0.521 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1OC ZINC000281808978 244232748 /nfs/dbraw/zinc/23/27/48/244232748.db2.gz JBZCDHJTFZDSNS-KCJUWKMLSA-N -1 0 359.356 -0.310 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1OC ZINC000281808987 244231803 /nfs/dbraw/zinc/23/18/03/244231803.db2.gz JBZCDHJTFZDSNS-LDYMZIIASA-N -1 0 359.356 -0.310 20 0 FBADRM CCOC(=O)[C@@]1(COC)CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000281811385 535597682 /nfs/dbraw/zinc/59/76/82/535597682.db2.gz WTTMYHSCGGFFAF-INIZCTEOSA-N -1 0 353.375 -0.082 20 0 FBADRM CCOC(=O)[C@]1(COC)CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000281811387 244231292 /nfs/dbraw/zinc/23/12/92/244231292.db2.gz WTTMYHSCGGFFAF-MRXNPFEDSA-N -1 0 353.375 -0.082 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NCCc1cccc(C(=O)[O-])n1 ZINC000281840600 244233624 /nfs/dbraw/zinc/23/36/24/244233624.db2.gz LNEZGOWKBPLNSX-UHFFFAOYSA-N -1 0 365.433 -0.819 20 0 FBADRM O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)c1cccc2nsnc21 ZINC000281861961 244231984 /nfs/dbraw/zinc/23/19/84/244231984.db2.gz MXCPOTWRJNFUHQ-JTQLQIEISA-N -1 0 372.428 -0.245 20 0 FBADRM O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)c1cccc2nsnc21 ZINC000281861964 244232563 /nfs/dbraw/zinc/23/25/63/244232563.db2.gz MXCPOTWRJNFUHQ-SNVBAGLBSA-N -1 0 372.428 -0.245 20 0 FBADRM COc1cncc(S(=O)(=O)N[C@H](CCC(=O)[O-])CN2CCOCC2)c1 ZINC000281866422 244232836 /nfs/dbraw/zinc/23/28/36/244232836.db2.gz NDWXWFIXDFZFLJ-GFCCVEGCSA-N -1 0 373.431 -0.066 20 0 FBADRM COc1cncc(S(=O)(=O)N[C@@H](CCC(=O)[O-])CN2CCOCC2)c1 ZINC000281866427 244233172 /nfs/dbraw/zinc/23/31/72/244233172.db2.gz NDWXWFIXDFZFLJ-LBPRGKRZSA-N -1 0 373.431 -0.066 20 0 FBADRM COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000281875331 244232324 /nfs/dbraw/zinc/23/23/24/244232324.db2.gz FRNZPJNMCOOFAS-SKDRFNHKSA-N -1 0 363.395 -0.180 20 0 FBADRM COCCNC(=O)Cn1cc([N-]S(=O)(=O)c2cncc(OC)c2)cn1 ZINC000281882473 244234222 /nfs/dbraw/zinc/23/42/22/244234222.db2.gz DDYITIXOEMGJBA-UHFFFAOYSA-N -1 0 369.403 -0.150 20 0 FBADRM O=C([O-])c1cccc(CCNS(=O)(=O)N2CCC3(CC2)OCCO3)n1 ZINC000281883757 244236070 /nfs/dbraw/zinc/23/60/70/244236070.db2.gz OEMMCAUYMGOIHX-UHFFFAOYSA-N -1 0 371.415 -0.004 20 0 FBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1)C(=O)[O-] ZINC000281898063 244236990 /nfs/dbraw/zinc/23/69/90/244236990.db2.gz PDAKDKNREZKRMS-SECBINFHSA-N -1 0 363.779 -0.564 20 0 FBADRM NC(=O)CC[C@H](NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1)C(=O)[O-] ZINC000281898065 244234625 /nfs/dbraw/zinc/23/46/25/244234625.db2.gz PDAKDKNREZKRMS-VIFPVBQESA-N -1 0 363.779 -0.564 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])OCC(=O)N2 ZINC000281926765 244234778 /nfs/dbraw/zinc/23/47/78/244234778.db2.gz HLITWQVBPUINJM-APPZFPTMSA-N -1 0 372.355 -0.765 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])OCC(=O)N2 ZINC000281926780 244236311 /nfs/dbraw/zinc/23/63/11/244236311.db2.gz HLITWQVBPUINJM-VXNVDRBHSA-N -1 0 372.355 -0.765 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-])OCC(=O)N2 ZINC000281934263 244237149 /nfs/dbraw/zinc/23/71/49/244237149.db2.gz IBQHZXUWWFZSEU-SECBINFHSA-N -1 0 372.355 -0.500 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-])OCC(=O)N2 ZINC000281934266 244234632 /nfs/dbraw/zinc/23/46/32/244234632.db2.gz IBQHZXUWWFZSEU-VIFPVBQESA-N -1 0 372.355 -0.500 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(Cl)ccc1-n1cnnn1 ZINC000281941868 244236105 /nfs/dbraw/zinc/23/61/05/244236105.db2.gz CCUMPZDEOURWTK-UHFFFAOYSA-N -1 0 372.794 -0.489 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cn1cnc(-c2ccccc2)n1 ZINC000281944200 244235438 /nfs/dbraw/zinc/23/54/38/244235438.db2.gz CGISZHAKIGTRII-UHFFFAOYSA-N -1 0 351.388 -0.473 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C(=O)NCCCc1ccccc1 ZINC000281946891 244235246 /nfs/dbraw/zinc/23/52/46/244235246.db2.gz COHHRLXQOCBMFO-UHFFFAOYSA-N -1 0 355.416 -0.683 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cn1cc(Br)cn1 ZINC000281949253 244235104 /nfs/dbraw/zinc/23/51/04/244235104.db2.gz CRKKAAAAOUSJKJ-UHFFFAOYSA-N -1 0 353.198 -0.772 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC(=O)N1C ZINC000281949887 244236742 /nfs/dbraw/zinc/23/67/42/244236742.db2.gz IQPBCWKDXMPSAO-SSDOTTSWSA-N -1 0 353.360 -0.713 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC(=O)N1C ZINC000281949892 244236001 /nfs/dbraw/zinc/23/60/01/244236001.db2.gz IQPBCWKDXMPSAO-ZETCQYMHSA-N -1 0 353.360 -0.713 20 0 FBADRM CCOC(=O)c1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nc1C ZINC000281953804 244235658 /nfs/dbraw/zinc/23/56/58/244235658.db2.gz CYPYZQYWLUZOGJ-UHFFFAOYSA-N -1 0 357.388 -0.238 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C1=NN(c2ccccc2)C(=O)CC1 ZINC000281960171 244239731 /nfs/dbraw/zinc/23/97/31/244239731.db2.gz DMLPEARQBDRRBG-UHFFFAOYSA-N -1 0 366.399 -0.249 20 0 FBADRM CN([C@H](CC(C)(C)C)C(=O)[O-])S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000281963910 244239080 /nfs/dbraw/zinc/23/90/80/244239080.db2.gz SZIRSLCTNRRHBS-SECBINFHSA-N -1 0 361.420 -0.406 20 0 FBADRM CN([C@@H](CC(C)(C)C)C(=O)[O-])S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000281963915 244238000 /nfs/dbraw/zinc/23/80/00/244238000.db2.gz SZIRSLCTNRRHBS-VIFPVBQESA-N -1 0 361.420 -0.406 20 0 FBADRM COCCN(CCOC)S(=O)(=O)NCCc1cccc(C(=O)[O-])n1 ZINC000281968393 244239243 /nfs/dbraw/zinc/23/92/43/244239243.db2.gz UCVXOOHHWKZVEA-UHFFFAOYSA-N -1 0 361.420 -0.249 20 0 FBADRM COc1cc(C=O)ccc1OCCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000281973541 536722261 /nfs/dbraw/zinc/72/22/61/536722261.db2.gz FRSBULNEAIXTNG-UHFFFAOYSA-N -1 0 372.399 -0.141 20 0 FBADRM COc1cccc(-c2nc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)no2)c1 ZINC000281977753 244239487 /nfs/dbraw/zinc/23/94/87/244239487.db2.gz FZMCVABGMJFKAS-UHFFFAOYSA-N -1 0 368.371 -0.059 20 0 FBADRM C[C@@H]1C(=O)Nc2cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)ccc2N1C ZINC000281983769 244238815 /nfs/dbraw/zinc/23/88/15/244238815.db2.gz GJMCJULPWIGZRN-SECBINFHSA-N -1 0 368.415 -0.341 20 0 FBADRM C[C@H]1C(=O)Nc2cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)ccc2N1C ZINC000281983771 244238119 /nfs/dbraw/zinc/23/81/19/244238119.db2.gz GJMCJULPWIGZRN-VIFPVBQESA-N -1 0 368.415 -0.341 20 0 FBADRM Cc1oc(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1C(=O)[O-] ZINC000281984225 244240204 /nfs/dbraw/zinc/24/02/04/244240204.db2.gz VFUJVWSLJTZDGJ-UHFFFAOYSA-N -1 0 357.344 -0.838 20 0 FBADRM Cc1nn2c(nc(C)cc2C)c1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000281997017 244239870 /nfs/dbraw/zinc/23/98/70/244239870.db2.gz HMCFEHFFMUMNAU-UHFFFAOYSA-N -1 0 353.404 -0.150 20 0 FBADRM Cn1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c2ccccc2c1=O ZINC000282012823 244239323 /nfs/dbraw/zinc/23/93/23/244239323.db2.gz ITFYPKPMWXFYFD-UHFFFAOYSA-N -1 0 351.384 -0.266 20 0 FBADRM CC1=C(C(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@@H](C)n2ncnc2N1C ZINC000282018968 535223462 /nfs/dbraw/zinc/22/34/62/535223462.db2.gz JHJBILRDRWIYAS-SECBINFHSA-N -1 0 356.408 -0.855 20 0 FBADRM CC1=C(C(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@H](C)n2ncnc2N1C ZINC000282018970 535222790 /nfs/dbraw/zinc/22/27/90/535222790.db2.gz JHJBILRDRWIYAS-VIFPVBQESA-N -1 0 356.408 -0.855 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cn1ccc2ccccc2c1=O ZINC000282021298 244238873 /nfs/dbraw/zinc/23/88/73/244238873.db2.gz JMVQPUPBNQBPGF-UHFFFAOYSA-N -1 0 351.384 -0.416 20 0 FBADRM Cc1ccc(CNC(=O)NCC(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000282025282 244238741 /nfs/dbraw/zinc/23/87/41/244238741.db2.gz JTSSKHJFIIQCFF-UHFFFAOYSA-N -1 0 370.431 -0.624 20 0 FBADRM NC(=O)c1cc(Cl)cc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c1 ZINC000282026228 244239255 /nfs/dbraw/zinc/23/92/55/244239255.db2.gz XXUOZAOLXRCVPM-UHFFFAOYSA-N -1 0 363.779 -0.692 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2 ZINC000282026892 536821128 /nfs/dbraw/zinc/82/11/28/536821128.db2.gz RBCJBRCJPLKUDA-UHFFFAOYSA-N -1 0 374.371 -0.252 20 0 FBADRM Cc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nc(C(F)(F)F)n1 ZINC000282029976 244238455 /nfs/dbraw/zinc/23/84/55/244238455.db2.gz KFDSAJSWOALMHY-UHFFFAOYSA-N -1 0 354.310 0.000 20 0 FBADRM O=C(CCN1CCCS1(=O)=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000282031175 244239988 /nfs/dbraw/zinc/23/99/88/244239988.db2.gz XZKRGOAOOPAVEO-UHFFFAOYSA-N -1 0 352.376 -0.680 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CN1C(=O)CCc2ccccc21 ZINC000282036269 244243126 /nfs/dbraw/zinc/24/31/26/244243126.db2.gz KQQRTVNOEBKLPX-UHFFFAOYSA-N -1 0 353.400 -0.452 20 0 FBADRM Cc1ccccc1[C@@H](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)NC(N)=O ZINC000282044841 244242003 /nfs/dbraw/zinc/24/20/03/244242003.db2.gz LJHOZZLXRSENHF-GFCCVEGCSA-N -1 0 370.431 -0.323 20 0 FBADRM Cc1ccccc1[C@H](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)NC(N)=O ZINC000282044843 244241330 /nfs/dbraw/zinc/24/13/30/244241330.db2.gz LJHOZZLXRSENHF-LBPRGKRZSA-N -1 0 370.431 -0.323 20 0 FBADRM COCCOc1ccc(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000282052426 244243017 /nfs/dbraw/zinc/24/30/17/244243017.db2.gz LSPGVHRIXJRVCS-UHFFFAOYSA-N -1 0 358.416 -0.164 20 0 FBADRM Cc1nn(C)c2nc(C)cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c12 ZINC000282052455 244243177 /nfs/dbraw/zinc/24/31/77/244243177.db2.gz LTAXWQCSKPCYCZ-UHFFFAOYSA-N -1 0 353.404 -0.219 20 0 FBADRM Cc1c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nnn1-c1ccccc1 ZINC000282052857 244240709 /nfs/dbraw/zinc/24/07/09/244240709.db2.gz LWLNDCRDOIOCKZ-UHFFFAOYSA-N -1 0 351.388 -0.229 20 0 FBADRM CN(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)C(=O)OCc1ccccc1 ZINC000282063050 244242297 /nfs/dbraw/zinc/24/22/97/244242297.db2.gz MLUFMOORFDHICY-UHFFFAOYSA-N -1 0 371.415 -0.163 20 0 FBADRM COc1n[nH]c([N-]S(=O)(=O)c2cc3c(cc2OC)NC(=O)CO3)n1 ZINC000282065376 244241035 /nfs/dbraw/zinc/24/10/35/244241035.db2.gz UYJSJEPCIYZCHM-UHFFFAOYSA-N -1 0 355.332 -0.046 20 0 FBADRM COCCOc1cc(OC)ccc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000282075042 244240668 /nfs/dbraw/zinc/24/06/68/244240668.db2.gz NHTAIXWGGCYERR-UHFFFAOYSA-N -1 0 374.415 -0.084 20 0 FBADRM COCCN1CN(S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)CC1=O ZINC000282112384 244245506 /nfs/dbraw/zinc/24/55/06/244245506.db2.gz AHUMGGBWALAVEF-UHFFFAOYSA-N -1 0 358.372 -0.170 20 0 FBADRM COCCN1CN(S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)CC1=O ZINC000282207468 244247836 /nfs/dbraw/zinc/24/78/36/244247836.db2.gz MMLRFUSBJIQATE-UHFFFAOYSA-N -1 0 358.372 -0.164 20 0 FBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000282255317 244252763 /nfs/dbraw/zinc/25/27/63/244252763.db2.gz GIJGPBBVJRLSNK-APPZFPTMSA-N -1 0 368.371 -0.482 20 0 FBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000282255322 244251382 /nfs/dbraw/zinc/25/13/82/244251382.db2.gz GIJGPBBVJRLSNK-CBAPKCEASA-N -1 0 368.371 -0.482 20 0 FBADRM C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000282255327 244252030 /nfs/dbraw/zinc/25/20/30/244252030.db2.gz GIJGPBBVJRLSNK-IONNQARKSA-N -1 0 368.371 -0.482 20 0 FBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000282255332 244251516 /nfs/dbraw/zinc/25/15/16/244251516.db2.gz GIJGPBBVJRLSNK-VXNVDRBHSA-N -1 0 368.371 -0.482 20 0 FBADRM COCCN1CN(S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)CC1=O ZINC000282257047 244253224 /nfs/dbraw/zinc/25/32/24/244253224.db2.gz RWLRMSBEQLORCK-UHFFFAOYSA-N -1 0 372.399 -0.241 20 0 FBADRM Cc1nc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nn1-c1ccc(F)cc1 ZINC000282262870 244252128 /nfs/dbraw/zinc/25/21/28/244252128.db2.gz PEDDKKPXUVEOEU-UHFFFAOYSA-N -1 0 369.378 -0.089 20 0 FBADRM CCn1ncc2cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(C)nc21 ZINC000282262963 535837183 /nfs/dbraw/zinc/83/71/83/535837183.db2.gz PFIFBDCCNHKEGQ-UHFFFAOYSA-N -1 0 353.404 -0.045 20 0 FBADRM COCCN1CN(S(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)CC1=O ZINC000282271639 244252170 /nfs/dbraw/zinc/25/21/70/244252170.db2.gz TWMCHERXIKOCGD-UHFFFAOYSA-N -1 0 372.399 -0.241 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000282274227 244252776 /nfs/dbraw/zinc/25/27/76/244252776.db2.gz PZPQEGJMVKLUFS-AWEZNQCLSA-N -1 0 369.443 -0.531 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000282274230 244251542 /nfs/dbraw/zinc/25/15/42/244251542.db2.gz PZPQEGJMVKLUFS-CQSZACIVSA-N -1 0 369.443 -0.531 20 0 FBADRM COCCN1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)CC1=O ZINC000282275283 244253101 /nfs/dbraw/zinc/25/31/01/244253101.db2.gz ULCHWYBTVVPOSA-UHFFFAOYSA-N -1 0 358.372 -0.170 20 0 FBADRM COCCN1CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CC1=O ZINC000282294090 244252369 /nfs/dbraw/zinc/25/23/69/244252369.db2.gz WJTXRDRMSAGCNO-UHFFFAOYSA-N -1 0 358.372 -0.413 20 0 FBADRM Cn1nc(Br)cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000282299983 244253524 /nfs/dbraw/zinc/25/35/24/244253524.db2.gz SHAVKWPZIRGFGI-UHFFFAOYSA-N -1 0 353.198 -0.622 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000282300053 244253610 /nfs/dbraw/zinc/25/36/10/244253610.db2.gz SIXWAQLVQDHHQO-JTQLQIEISA-N -1 0 371.390 -0.239 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000282300054 244251704 /nfs/dbraw/zinc/25/17/04/244251704.db2.gz SIXWAQLVQDHHQO-SNVBAGLBSA-N -1 0 371.390 -0.239 20 0 FBADRM CCc1n[nH]c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1Br ZINC000282304357 244253349 /nfs/dbraw/zinc/25/33/49/244253349.db2.gz SPWMFUYDVGXWHC-UHFFFAOYSA-N -1 0 367.225 -0.070 20 0 FBADRM Cc1ccc(C(=O)NCCC(=O)NCCC(=O)[N-]S(C)(=O)=O)c(O)c1 ZINC000282310779 244252356 /nfs/dbraw/zinc/25/23/56/244252356.db2.gz UADLZZZLTJFGDA-UHFFFAOYSA-N -1 0 371.415 -0.597 20 0 FBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)C2=O ZINC000282314914 244252221 /nfs/dbraw/zinc/25/22/21/244252221.db2.gz UHLSGXFTAMEFMA-UHFFFAOYSA-N -1 0 367.383 -0.827 20 0 FBADRM O=C1CN(CC[N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)CCN1 ZINC000282317190 244251731 /nfs/dbraw/zinc/25/17/31/244251731.db2.gz OBMOPQXPNDLLNW-UHFFFAOYSA-N -1 0 355.313 -0.047 20 0 FBADRM C[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)NCCF ZINC000282318273 244253132 /nfs/dbraw/zinc/25/31/32/244253132.db2.gz NGAOMYZDEKOLTE-LURJTMIESA-N -1 0 359.339 -0.812 20 0 FBADRM C[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)NCCF ZINC000282318279 244251421 /nfs/dbraw/zinc/25/14/21/244251421.db2.gz NGAOMYZDEKOLTE-ZCFIWIBFSA-N -1 0 359.339 -0.812 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000282323692 244251099 /nfs/dbraw/zinc/25/10/99/244251099.db2.gz UWDIJDMXIAVCJI-GFCCVEGCSA-N -1 0 371.390 -0.239 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000282323697 244251017 /nfs/dbraw/zinc/25/10/17/244251017.db2.gz UWDIJDMXIAVCJI-LBPRGKRZSA-N -1 0 371.390 -0.239 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccnc1OCC(F)F ZINC000282328687 244251370 /nfs/dbraw/zinc/25/13/70/244251370.db2.gz VHRCTFUCOUTKIE-UHFFFAOYSA-N -1 0 351.331 -0.079 20 0 FBADRM C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000282328721 244253492 /nfs/dbraw/zinc/25/34/92/244253492.db2.gz VIEMDNQIDFQGBX-GARJFASQSA-N -1 0 373.431 -0.868 20 0 FBADRM C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000282328727 244252145 /nfs/dbraw/zinc/25/21/45/244252145.db2.gz VIEMDNQIDFQGBX-GMTAPVOTSA-N -1 0 373.431 -0.868 20 0 FBADRM C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000282328731 244256003 /nfs/dbraw/zinc/25/60/03/244256003.db2.gz VIEMDNQIDFQGBX-MXWKQRLJSA-N -1 0 373.431 -0.868 20 0 FBADRM C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000282328734 244255978 /nfs/dbraw/zinc/25/59/78/244255978.db2.gz VIEMDNQIDFQGBX-VWYCJHECSA-N -1 0 373.431 -0.868 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c(=O)n(C)c1=O ZINC000282338192 244255810 /nfs/dbraw/zinc/25/58/10/244255810.db2.gz QXYYZPHTTVOZTG-LLVKDONJSA-N -1 0 373.431 -0.214 20 0 FBADRM COc1ccc2c(c1)C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)CO2 ZINC000282341317 244254626 /nfs/dbraw/zinc/25/46/26/244254626.db2.gz WGSQQGHQCFQKLF-LLVKDONJSA-N -1 0 356.400 -0.172 20 0 FBADRM COc1ccc2c(c1)C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)CO2 ZINC000282341327 536988306 /nfs/dbraw/zinc/98/83/06/536988306.db2.gz WGSQQGHQCFQKLF-NSHDSACASA-N -1 0 356.400 -0.172 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnc2c(c1)NC(=O)CS2 ZINC000282341534 244255830 /nfs/dbraw/zinc/25/58/30/244255830.db2.gz WHEYCCOIVIDHHI-UHFFFAOYSA-N -1 0 358.401 -0.679 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(N2CCOCC2)ccn1 ZINC000282352625 244256035 /nfs/dbraw/zinc/25/60/35/244256035.db2.gz WXMCSLIJGILKGS-UHFFFAOYSA-N -1 0 356.404 -0.886 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCNC(=O)c1ccc(F)cc1 ZINC000282357877 244255563 /nfs/dbraw/zinc/25/55/63/244255563.db2.gz XFBZPIITUSYJTD-UHFFFAOYSA-N -1 0 359.379 -0.472 20 0 FBADRM Cc1c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nnn1CC1CCCC1 ZINC000282365274 244254065 /nfs/dbraw/zinc/25/40/65/244254065.db2.gz XRLXJFKYEOCBQN-UHFFFAOYSA-N -1 0 357.436 -0.028 20 0 FBADRM CCOC(=O)c1cnc(C)c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000282376710 244256321 /nfs/dbraw/zinc/25/63/21/244256321.db2.gz YNFAFSLLZOCVFO-UHFFFAOYSA-N -1 0 357.388 -0.238 20 0 FBADRM Cc1cc(F)ccc1-n1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nn1 ZINC000282381920 244255351 /nfs/dbraw/zinc/25/53/51/244255351.db2.gz YSECJQFXEQKAMX-UHFFFAOYSA-N -1 0 369.378 -0.089 20 0 FBADRM Cc1ccc(-n2cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nn2)cc1 ZINC000282382077 244254667 /nfs/dbraw/zinc/25/46/67/244254667.db2.gz YUAJMGRHNSHORQ-UHFFFAOYSA-N -1 0 351.388 -0.229 20 0 FBADRM Cc1nn(C)c2nc(C)c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc12 ZINC000282382139 244256470 /nfs/dbraw/zinc/25/64/70/244256470.db2.gz YURARMBZJXATAF-UHFFFAOYSA-N -1 0 353.404 -0.219 20 0 FBADRM COc1ccc(C=O)c(OCC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000282389725 244255946 /nfs/dbraw/zinc/25/59/46/244255946.db2.gz ZHWSVZMBFBWXLU-UHFFFAOYSA-N -1 0 358.372 -0.531 20 0 FBADRM CC(=O)N/C(=C/c1ccccc1)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000282392336 244255694 /nfs/dbraw/zinc/25/56/94/244255694.db2.gz ZLDULRXTTNXPIJ-JLHYYAGUSA-N -1 0 353.400 -0.254 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1cccc(N2CCCC2=O)c1 ZINC000282394413 244254536 /nfs/dbraw/zinc/25/45/36/244254536.db2.gz ZMJZJYWPWMQMSR-UHFFFAOYSA-N -1 0 367.427 -0.062 20 0 FBADRM CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NCCc2nc(=O)o[n-]2)=NO1 ZINC000282469256 534891052 /nfs/dbraw/zinc/89/10/52/534891052.db2.gz UREGMDOUQSLWTA-MRVPVSSYSA-N -1 0 355.351 -0.309 20 0 FBADRM CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NCCc2nc(=O)o[n-]2)=NO1 ZINC000282469257 244261956 /nfs/dbraw/zinc/26/19/56/244261956.db2.gz UREGMDOUQSLWTA-QMMMGPOBSA-N -1 0 355.351 -0.309 20 0 FBADRM COCCN1CN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CC1=O ZINC000282494255 244262888 /nfs/dbraw/zinc/26/28/88/244262888.db2.gz QFIGIGSNUHSGCC-UHFFFAOYSA-N -1 0 362.411 -0.040 20 0 FBADRM NC(=O)C1=NO[C@@H](CNC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000282518562 244262020 /nfs/dbraw/zinc/26/20/20/244262020.db2.gz ZMLLOZXMJXJWIM-MRVPVSSYSA-N -1 0 361.383 -0.568 20 0 FBADRM NC(=O)C1=NO[C@H](CNC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000282518563 244262228 /nfs/dbraw/zinc/26/22/28/244262228.db2.gz ZMLLOZXMJXJWIM-QMMMGPOBSA-N -1 0 361.383 -0.568 20 0 FBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC000282542570 244263941 /nfs/dbraw/zinc/26/39/41/244263941.db2.gz QDFXPKIWGGOMPI-LLVKDONJSA-N -1 0 352.416 -0.173 20 0 FBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC000282542573 244265611 /nfs/dbraw/zinc/26/56/11/244265611.db2.gz QDFXPKIWGGOMPI-NSHDSACASA-N -1 0 352.416 -0.173 20 0 FBADRM CCN(C(=O)Cn1c(=O)c2ccccc2[n-]c1=S)[C@@H]1CC(=O)NC1=O ZINC000282542666 244264817 /nfs/dbraw/zinc/26/48/17/244264817.db2.gz XUFGKUSLGJQVJR-LLVKDONJSA-N -1 0 360.395 -0.051 20 0 FBADRM CCN(C(=O)Cn1c(=O)c2ccccc2[n-]c1=S)[C@H]1CC(=O)NC1=O ZINC000282542667 244265535 /nfs/dbraw/zinc/26/55/35/244265535.db2.gz XUFGKUSLGJQVJR-NSHDSACASA-N -1 0 360.395 -0.051 20 0 FBADRM C[C@@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000282632660 244267150 /nfs/dbraw/zinc/26/71/50/244267150.db2.gz STDOTUIAINHFTJ-HZGVNTEJSA-N -1 0 353.360 -0.761 20 0 FBADRM C[C@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000282632669 244269011 /nfs/dbraw/zinc/26/90/11/244269011.db2.gz STDOTUIAINHFTJ-IMTBSYHQSA-N -1 0 353.360 -0.761 20 0 FBADRM C[C@@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000282632677 244267959 /nfs/dbraw/zinc/26/79/59/244267959.db2.gz STDOTUIAINHFTJ-MUWHJKNJSA-N -1 0 353.360 -0.761 20 0 FBADRM C[C@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000282632687 244268907 /nfs/dbraw/zinc/26/89/07/244268907.db2.gz STDOTUIAINHFTJ-RCOVLWMOSA-N -1 0 353.360 -0.761 20 0 FBADRM CCOc1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC000282769875 244270491 /nfs/dbraw/zinc/27/04/91/244270491.db2.gz HRFUSTCVZGHRCI-GFCCVEGCSA-N -1 0 363.413 -0.042 20 0 FBADRM CCOc1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC000282769880 244271793 /nfs/dbraw/zinc/27/17/93/244271793.db2.gz HRFUSTCVZGHRCI-LBPRGKRZSA-N -1 0 363.413 -0.042 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)cc1OC ZINC000282776646 244271216 /nfs/dbraw/zinc/27/12/16/244271216.db2.gz XWVOKRYZRBZICJ-UHFFFAOYSA-N -1 0 357.344 -0.431 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC3(C(=O)[O-])CCC3)cnc21 ZINC000282778615 244272104 /nfs/dbraw/zinc/27/21/04/244272104.db2.gz IKJFXYYZECPEGE-UHFFFAOYSA-N -1 0 354.344 -0.680 20 0 FBADRM O=C([O-])C1(NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CCC1 ZINC000282792309 244271017 /nfs/dbraw/zinc/27/10/17/244271017.db2.gz JKXKOTGTYNHDJT-UHFFFAOYSA-N -1 0 362.429 -0.108 20 0 FBADRM O=C(CNS(=O)(=O)c1cccs1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282912181 244274443 /nfs/dbraw/zinc/27/44/43/244274443.db2.gz MWJYUWHMNVTIJK-SECBINFHSA-N -1 0 371.444 -0.156 20 0 FBADRM O=C(CNS(=O)(=O)c1cccs1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282912187 244274232 /nfs/dbraw/zinc/27/42/32/244274232.db2.gz MWJYUWHMNVTIJK-VIFPVBQESA-N -1 0 371.444 -0.156 20 0 FBADRM COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000282976383 244276950 /nfs/dbraw/zinc/27/69/50/244276950.db2.gz LNGLAWWFFOIVTC-UHFFFAOYSA-N -1 0 367.401 -0.834 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCCCCC[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000282978998 244278529 /nfs/dbraw/zinc/27/85/29/244278529.db2.gz XEBZDOUNSSZVIB-JTQLQIEISA-N -1 0 359.404 -0.508 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCCCCC[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000282979003 244278079 /nfs/dbraw/zinc/27/80/79/244278079.db2.gz XEBZDOUNSSZVIB-SNVBAGLBSA-N -1 0 359.404 -0.508 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c(C)o1 ZINC000283005274 244278642 /nfs/dbraw/zinc/27/86/42/244278642.db2.gz VVVIRWSRSGZIOM-SECBINFHSA-N -1 0 369.403 -0.073 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c(C)o1 ZINC000283005277 244277854 /nfs/dbraw/zinc/27/78/54/244277854.db2.gz VVVIRWSRSGZIOM-VIFPVBQESA-N -1 0 369.403 -0.073 20 0 FBADRM CC(C)(C)[C@H](NC(N)=O)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000283132382 244286631 /nfs/dbraw/zinc/28/66/31/244286631.db2.gz URCCVVLFFBSEBT-RXMQYKEDSA-N -1 0 350.426 -0.069 20 0 FBADRM CC(C)(C)[C@@H](NC(N)=O)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000283132384 535056738 /nfs/dbraw/zinc/05/67/38/535056738.db2.gz URCCVVLFFBSEBT-YFKPBYRVSA-N -1 0 350.426 -0.069 20 0 FBADRM O=c1nc(CCNS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)[n-]o1 ZINC000283483208 244299653 /nfs/dbraw/zinc/29/96/53/244299653.db2.gz HWONUBWZEQEGKB-UHFFFAOYSA-N -1 0 356.335 -0.092 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)cc1F ZINC000283551372 244302736 /nfs/dbraw/zinc/30/27/36/244302736.db2.gz OFOVOMMYCMOSAE-UHFFFAOYSA-N -1 0 365.364 -0.574 20 0 FBADRM CN(CC(C)(CO)CO)C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O ZINC000283617195 244304476 /nfs/dbraw/zinc/30/44/76/244304476.db2.gz ZKKRLNNDZROKMM-UHFFFAOYSA-N -1 0 365.361 -0.063 20 0 FBADRM CC1(C)CNC(=O)CN1S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000283726256 244312020 /nfs/dbraw/zinc/31/20/20/244312020.db2.gz BUYDLZSCNRDUAQ-UHFFFAOYSA-N -1 0 369.399 -0.600 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)CC(=O)N1C ZINC000283795446 244319298 /nfs/dbraw/zinc/31/92/98/244319298.db2.gz MWTBWOGUPFIJKE-JTQLQIEISA-N -1 0 369.399 -0.648 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)CC(=O)N1C ZINC000283795453 244319048 /nfs/dbraw/zinc/31/90/48/244319048.db2.gz MWTBWOGUPFIJKE-SNVBAGLBSA-N -1 0 369.399 -0.648 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)NCCc2nc(=O)o[n-]2)ccc1F ZINC000283797631 244320038 /nfs/dbraw/zinc/32/00/38/244320038.db2.gz QAUHGDLRSZAPAQ-UHFFFAOYSA-N -1 0 358.351 -0.275 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])CC1 ZINC000283853520 244323678 /nfs/dbraw/zinc/32/36/78/244323678.db2.gz ICSNBYUZZJNDJF-UHFFFAOYSA-N -1 0 369.378 -0.322 20 0 FBADRM C[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000283878274 244321370 /nfs/dbraw/zinc/32/13/70/244321370.db2.gz IZXONWAXDQLVTG-XVKPBYJWSA-N -1 0 368.371 -0.340 20 0 FBADRM COCCOCCS(=O)(=O)[N-]c1c(C(=O)OC)c[nH]c1C(=O)OC ZINC000283896802 244327290 /nfs/dbraw/zinc/32/72/90/244327290.db2.gz OOKXNYYQLXGLGE-UHFFFAOYSA-N -1 0 364.376 -0.007 20 0 FBADRM COC(=O)c1cn(CCNS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])nn1 ZINC000283907111 244327036 /nfs/dbraw/zinc/32/70/36/244327036.db2.gz ICNLDHDQRRAUPL-UHFFFAOYSA-N -1 0 372.359 -0.049 20 0 FBADRM COC(=O)c1cn(CCNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)nn1 ZINC000283994934 244333710 /nfs/dbraw/zinc/33/37/10/244333710.db2.gz MFBLTESSTZYOLT-UHFFFAOYSA-N -1 0 357.348 -0.920 20 0 FBADRM COC(=O)c1cn(CCNS(=O)(=O)c2cc(C(=O)[O-])oc2C)nn1 ZINC000284000028 244334093 /nfs/dbraw/zinc/33/40/93/244334093.db2.gz MLHCRENGIXCOEX-UHFFFAOYSA-N -1 0 358.332 -0.357 20 0 FBADRM COC(=O)c1cn(CCNS(=O)(=O)c2cc(C(=O)[O-])cs2)nn1 ZINC000284163185 244349839 /nfs/dbraw/zinc/34/98/39/244349839.db2.gz WMYBVDQTRPCYFV-UHFFFAOYSA-N -1 0 360.373 -0.197 20 0 FBADRM COC(=O)c1cn(CCNS(=O)(=O)c2csc(C(=O)[O-])c2)nn1 ZINC000284167510 244346446 /nfs/dbraw/zinc/34/64/46/244346446.db2.gz WUXZMJJRUDGBSB-UHFFFAOYSA-N -1 0 360.373 -0.197 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000284189748 244351170 /nfs/dbraw/zinc/35/11/70/244351170.db2.gz YNBBPINOLLZEAF-UHFFFAOYSA-N -1 0 354.432 -0.055 20 0 FBADRM CCn1cc(S(=O)(=O)NCCn2cc(C(=O)OC)nn2)cc1C(=O)[O-] ZINC000284204427 484874142 /nfs/dbraw/zinc/87/41/42/484874142.db2.gz ZDYFCGDVRSASNJ-UHFFFAOYSA-N -1 0 371.375 -0.437 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000284243584 244355614 /nfs/dbraw/zinc/35/56/14/244355614.db2.gz FEILLKGEXGDQSQ-UHFFFAOYSA-N -1 0 357.436 -0.702 20 0 FBADRM COCCS(=O)(=O)[N-]c1cc(C(=O)OC)ccc1S(N)(=O)=O ZINC000284264520 244354635 /nfs/dbraw/zinc/35/46/35/244354635.db2.gz VMVPOJSIEMFZLF-UHFFFAOYSA-N -1 0 352.390 -0.491 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NCc1cccnc1N1CCOCC1 ZINC000284300098 244358331 /nfs/dbraw/zinc/35/83/31/244358331.db2.gz UAPXMPYRLXAMKH-UHFFFAOYSA-N -1 0 354.432 -0.055 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)C(=O)[N-]OCCSC)c1 ZINC000284407218 483694082 /nfs/dbraw/zinc/69/40/82/483694082.db2.gz XHWWGCCOSXXTBG-UHFFFAOYSA-N -1 0 361.445 -0.378 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000284415325 483694601 /nfs/dbraw/zinc/69/46/01/483694601.db2.gz JTYCVNLAZQHCKG-UHFFFAOYSA-N -1 0 354.432 -0.055 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cccc(F)c1S(N)(=O)=O ZINC000284665628 483701710 /nfs/dbraw/zinc/70/17/10/483701710.db2.gz FCTNJJMHOVYJLI-SSDOTTSWSA-N -1 0 353.397 -0.309 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cccc(F)c1S(N)(=O)=O ZINC000284665633 483701733 /nfs/dbraw/zinc/70/17/33/483701733.db2.gz FCTNJJMHOVYJLI-ZETCQYMHSA-N -1 0 353.397 -0.309 20 0 FBADRM COC(=O)c1cn(CCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)nn1 ZINC000284735460 483703659 /nfs/dbraw/zinc/70/36/59/483703659.db2.gz AUGOITWUZDLCRK-UHFFFAOYSA-N -1 0 351.285 -0.362 20 0 FBADRM Cn1nccc1[C@H]1[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CC(=O)N1C1CC1 ZINC000284905064 483707733 /nfs/dbraw/zinc/70/77/33/483707733.db2.gz ASYMLHZDMJXMHS-CQROYNQRSA-N -1 0 362.386 -0.027 20 0 FBADRM CCOC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000284937801 483708219 /nfs/dbraw/zinc/70/82/19/483708219.db2.gz CSVPHVUGMZFRDQ-SECBINFHSA-N -1 0 374.371 -0.521 20 0 FBADRM CCOC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000284937803 483708104 /nfs/dbraw/zinc/70/81/04/483708104.db2.gz CSVPHVUGMZFRDQ-VIFPVBQESA-N -1 0 374.371 -0.521 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000284940582 483708796 /nfs/dbraw/zinc/70/87/96/483708796.db2.gz CVOVIYDOJUFVFR-GHMZBOCLSA-N -1 0 356.404 -0.575 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000284940586 483708704 /nfs/dbraw/zinc/70/87/04/483708704.db2.gz CVOVIYDOJUFVFR-MNOVXSKESA-N -1 0 356.404 -0.575 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000284940591 483709087 /nfs/dbraw/zinc/70/90/87/483709087.db2.gz CVOVIYDOJUFVFR-QWRGUYRKSA-N -1 0 356.404 -0.575 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000284940596 483708995 /nfs/dbraw/zinc/70/89/95/483708995.db2.gz CVOVIYDOJUFVFR-WDEREUQCSA-N -1 0 356.404 -0.575 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)N(CCOC)CC(=O)[O-])c1 ZINC000284987642 483709550 /nfs/dbraw/zinc/70/95/50/483709550.db2.gz GFJMMLLNABIMIA-UHFFFAOYSA-N -1 0 374.415 -0.216 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(F)(F)[C@@H](C(=O)[O-])C2)cc1C(N)=O ZINC000285001772 660526993 /nfs/dbraw/zinc/52/69/93/660526993.db2.gz HAYWHLOHFGBPHC-MRVPVSSYSA-N -1 0 351.331 -0.146 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(F)(F)[C@H](C(=O)[O-])C2)cc1C(N)=O ZINC000285001779 660527014 /nfs/dbraw/zinc/52/70/14/660527014.db2.gz HAYWHLOHFGBPHC-QMMMGPOBSA-N -1 0 351.331 -0.146 20 0 FBADRM CCOC(=O)c1ccc(F)c(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000285004510 483710185 /nfs/dbraw/zinc/71/01/85/483710185.db2.gz HDVFBRJESMUMBH-UHFFFAOYSA-N -1 0 362.335 -0.519 20 0 FBADRM CN(C)c1n[nH]c([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 ZINC000285013592 483710373 /nfs/dbraw/zinc/71/03/73/483710373.db2.gz GYSPDLWMOWMBTI-UHFFFAOYSA-N -1 0 374.448 -0.078 20 0 FBADRM CCOC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c1 ZINC000285016305 483710072 /nfs/dbraw/zinc/71/00/72/483710072.db2.gz HREGHZKTLUOKBR-JTQLQIEISA-N -1 0 361.372 -0.014 20 0 FBADRM CCOC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c1 ZINC000285016310 483710442 /nfs/dbraw/zinc/71/04/42/483710442.db2.gz HREGHZKTLUOKBR-SNVBAGLBSA-N -1 0 361.372 -0.014 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000285035719 483710908 /nfs/dbraw/zinc/71/09/08/483710908.db2.gz ISTVYSVDYVHORE-LLVKDONJSA-N -1 0 370.431 -0.185 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000285035727 483711058 /nfs/dbraw/zinc/71/10/58/483711058.db2.gz ISTVYSVDYVHORE-NSHDSACASA-N -1 0 370.431 -0.185 20 0 FBADRM CCOC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1 ZINC000285044512 483710975 /nfs/dbraw/zinc/71/09/75/483710975.db2.gz JESPKHJAXDVVJJ-PELKAZGASA-N -1 0 361.372 -0.016 20 0 FBADRM CCOC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)c1 ZINC000285044522 483710779 /nfs/dbraw/zinc/71/07/79/483710779.db2.gz JESPKHJAXDVVJJ-QPUJVOFHSA-N -1 0 361.372 -0.016 20 0 FBADRM CCOC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)c1 ZINC000285044526 483711007 /nfs/dbraw/zinc/71/10/07/483711007.db2.gz JESPKHJAXDVVJJ-UFBFGSQYSA-N -1 0 361.372 -0.016 20 0 FBADRM CN(C)c1n[nH]c([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)n1 ZINC000285064229 483711623 /nfs/dbraw/zinc/71/16/23/483711623.db2.gz KTRUXXMYLOBRMP-UHFFFAOYSA-N -1 0 374.448 -0.078 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(N2CCNC(=O)C2)nc1 ZINC000285068929 483711285 /nfs/dbraw/zinc/71/12/85/483711285.db2.gz LCTPPNDNIOAKAV-UHFFFAOYSA-N -1 0 350.404 -0.139 20 0 FBADRM COCCc1ccnc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000285076352 483711368 /nfs/dbraw/zinc/71/13/68/483711368.db2.gz LOPHRFKYCWRMDF-UHFFFAOYSA-N -1 0 354.388 -0.531 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2nc(N(C)C)n[nH]2)c1 ZINC000285085773 483711416 /nfs/dbraw/zinc/71/14/16/483711416.db2.gz MJJVZHRGHWZBKC-UHFFFAOYSA-N -1 0 360.421 -0.420 20 0 FBADRM CN(C)c1n[nH]c([N-]S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)n1 ZINC000285085833 483711634 /nfs/dbraw/zinc/71/16/34/483711634.db2.gz MKOPHSWPROBPNG-UHFFFAOYSA-N -1 0 366.363 -0.981 20 0 FBADRM COC(=O)c1cn(CCNC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)nn1 ZINC000285092164 483711418 /nfs/dbraw/zinc/71/14/18/483711418.db2.gz XLQXKEQWYYCQEJ-UHFFFAOYSA-N -1 0 373.329 -0.447 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])ccc1C ZINC000285093218 483711763 /nfs/dbraw/zinc/71/17/63/483711763.db2.gz LTVAARKWHSIMRQ-LLVKDONJSA-N -1 0 358.372 -0.221 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])ccc1C ZINC000285093221 483711652 /nfs/dbraw/zinc/71/16/52/483711652.db2.gz LTVAARKWHSIMRQ-NSHDSACASA-N -1 0 358.372 -0.221 20 0 FBADRM CCn1cc(S(=O)(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)cc1C(=O)[O-] ZINC000285094166 660527029 /nfs/dbraw/zinc/52/70/29/660527029.db2.gz OCRHYVNDISAYRX-MNOVXSKESA-N -1 0 356.404 -0.007 20 0 FBADRM CCOC(=O)c1ccc(OC)c(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c1 ZINC000285115727 483711896 /nfs/dbraw/zinc/71/18/96/483711896.db2.gz MWKBYIMRRCDZJQ-JTQLQIEISA-N -1 0 361.372 -0.014 20 0 FBADRM COCCNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(OC)nc2)cn1 ZINC000285125637 483712835 /nfs/dbraw/zinc/71/28/35/483712835.db2.gz NMBXKBWOPNSCLE-UHFFFAOYSA-N -1 0 369.403 -0.150 20 0 FBADRM CN(C)c1n[nH]c([N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 ZINC000285127134 483712915 /nfs/dbraw/zinc/71/29/15/483712915.db2.gz PSEKRTUNWJBZOR-UHFFFAOYSA-N -1 0 374.448 -0.078 20 0 FBADRM CN(C)S(=O)(=O)C[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)C(F)(F)F ZINC000285132092 483712826 /nfs/dbraw/zinc/71/28/26/483712826.db2.gz PXXUHBMDQXKHKL-SSDOTTSWSA-N -1 0 364.371 -0.479 20 0 FBADRM CN(C)S(=O)(=O)C[C@H]([N-]S(=O)(=O)c1cn(C)cn1)C(F)(F)F ZINC000285132095 483712849 /nfs/dbraw/zinc/71/28/49/483712849.db2.gz PXXUHBMDQXKHKL-ZETCQYMHSA-N -1 0 364.371 -0.479 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000285134622 483712705 /nfs/dbraw/zinc/71/27/05/483712705.db2.gz QHQHFHWTCJLJGQ-UHFFFAOYSA-N -1 0 364.387 -0.525 20 0 FBADRM COC(=O)c1cnc(S(=O)(=O)CCCN2C(=O)NC(C)(C)C2=O)[n-]1 ZINC000285135326 483712652 /nfs/dbraw/zinc/71/26/52/483712652.db2.gz OWMJKFCPHFMNCY-UHFFFAOYSA-N -1 0 358.376 -0.310 20 0 FBADRM CCOC(=O)c1ccc(F)c(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000285141746 483712934 /nfs/dbraw/zinc/71/29/34/483712934.db2.gz OFJIHDFFNMCJFZ-SECBINFHSA-N -1 0 362.335 -0.391 20 0 FBADRM CCOC(=O)c1ccc(F)c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000285141751 483712903 /nfs/dbraw/zinc/71/29/03/483712903.db2.gz OFJIHDFFNMCJFZ-VIFPVBQESA-N -1 0 362.335 -0.391 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](COC(C)(C)C)C(=O)[O-])cn1C ZINC000285144641 484919533 /nfs/dbraw/zinc/91/95/33/484919533.db2.gz OJDXNEWYZZMNMA-JTQLQIEISA-N -1 0 361.420 -0.069 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c1 ZINC000285150374 483712866 /nfs/dbraw/zinc/71/28/66/483712866.db2.gz OQEKFFPCEIHKIT-LBPRGKRZSA-N -1 0 360.388 -0.823 20 0 FBADRM Cn1nccc1[C@H]1[C@H](NC(=O)c2cnc([O-])n(C)c2=O)CC(=O)N1C1CC1 ZINC000285157948 483713531 /nfs/dbraw/zinc/71/35/31/483713531.db2.gz GJQWSKPDZZEAHL-BXUZGUMPSA-N -1 0 372.385 -0.546 20 0 FBADRM CN(C)S(=O)(=O)C[C@@H]([N-]S(=O)(=O)Cc1ccon1)C(F)(F)F ZINC000285159708 483713688 /nfs/dbraw/zinc/71/36/88/483713688.db2.gz BTKDEFAFGYGTHR-MRVPVSSYSA-N -1 0 365.355 -0.084 20 0 FBADRM CN(C)S(=O)(=O)C[C@H]([N-]S(=O)(=O)Cc1ccon1)C(F)(F)F ZINC000285159713 483713497 /nfs/dbraw/zinc/71/34/97/483713497.db2.gz BTKDEFAFGYGTHR-QMMMGPOBSA-N -1 0 365.355 -0.084 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000285169860 483713637 /nfs/dbraw/zinc/71/36/37/483713637.db2.gz PSBDYKODGXZLKK-CYBMUJFWSA-N -1 0 372.399 -0.463 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000285169863 483713408 /nfs/dbraw/zinc/71/34/08/483713408.db2.gz PSBDYKODGXZLKK-ZDUSSCGKSA-N -1 0 372.399 -0.463 20 0 FBADRM CC(=O)N1CCc2ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc2CC1 ZINC000285181325 483713287 /nfs/dbraw/zinc/71/32/87/483713287.db2.gz QJDBDQLRRYVLKT-BMIGLBTASA-N -1 0 370.427 -0.254 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@@H](CC3CC3)C(=O)[O-])cnc21 ZINC000285195806 483714240 /nfs/dbraw/zinc/71/42/40/483714240.db2.gz QYUDBTMOWLBINK-JTQLQIEISA-N -1 0 368.371 -0.434 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)N(CCO)CC(=O)[O-])c1 ZINC000285204405 483714020 /nfs/dbraw/zinc/71/40/20/483714020.db2.gz RKSUAAWYNZYLDG-UHFFFAOYSA-N -1 0 360.388 -0.870 20 0 FBADRM Cc1cc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)ccc1C(=O)[O-] ZINC000285204908 484921825 /nfs/dbraw/zinc/92/18/25/484921825.db2.gz WGRCYALUMMOXOE-UHFFFAOYSA-N -1 0 363.417 -0.797 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c1 ZINC000285209980 483714339 /nfs/dbraw/zinc/71/43/39/483714339.db2.gz RRIQWBBZWVWIRZ-GFCCVEGCSA-N -1 0 360.388 -0.823 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c1 ZINC000285209982 483714217 /nfs/dbraw/zinc/71/42/17/483714217.db2.gz RRIQWBBZWVWIRZ-LBPRGKRZSA-N -1 0 360.388 -0.823 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nc(N(C)C)n[nH]2)cc1 ZINC000285218450 483714661 /nfs/dbraw/zinc/71/46/61/483714661.db2.gz XPUFIZHVKUKVKN-UHFFFAOYSA-N -1 0 360.421 -0.420 20 0 FBADRM O=C([O-])c1ccc(N2CCC(NS(=O)(=O)N3CCOCC3)CC2)nc1 ZINC000285218639 483714793 /nfs/dbraw/zinc/71/47/93/483714793.db2.gz SCJKWWKKDMWZKT-UHFFFAOYSA-N -1 0 370.431 -0.085 20 0 FBADRM CCOC(=O)c1ccc(OC)c(S(=O)(=O)N(CCO)CC(=O)[O-])c1 ZINC000285239217 483714900 /nfs/dbraw/zinc/71/49/00/483714900.db2.gz UCFICZVIMPUDJF-UHFFFAOYSA-N -1 0 361.372 -0.061 20 0 FBADRM CC(=O)N1CCc2ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc2CC1 ZINC000285275650 483715199 /nfs/dbraw/zinc/71/51/99/483715199.db2.gz WIACFAIHGVMGOI-UHFFFAOYSA-N -1 0 370.427 -0.299 20 0 FBADRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCC[C@@](O)(C(N)=O)C2)c1 ZINC000285277421 660527002 /nfs/dbraw/zinc/52/70/02/660527002.db2.gz IFRBUMDVQABUNS-HNNXBMFYSA-N -1 0 355.416 -0.181 20 0 FBADRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCC[C@](O)(C(N)=O)C2)c1 ZINC000285277438 660526995 /nfs/dbraw/zinc/52/69/95/660526995.db2.gz IFRBUMDVQABUNS-OAHLLOKOSA-N -1 0 355.416 -0.181 20 0 FBADRM CC(C)[C@@](C)(NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(N)=O ZINC000285283199 483715761 /nfs/dbraw/zinc/71/57/61/483715761.db2.gz JOTVBIYZFFGRDE-CYBMUJFWSA-N -1 0 355.376 -0.386 20 0 FBADRM CC(C)[C@](C)(NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(N)=O ZINC000285283204 483715505 /nfs/dbraw/zinc/71/55/05/483715505.db2.gz JOTVBIYZFFGRDE-ZDUSSCGKSA-N -1 0 355.376 -0.386 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)N[C@H](CCOC)C(=O)[O-])c1 ZINC000285289894 483716136 /nfs/dbraw/zinc/71/61/36/483716136.db2.gz XGWFYPQSMWODGW-CYBMUJFWSA-N -1 0 374.415 -0.169 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CCOC)C(=O)[O-])c1 ZINC000285289900 483715969 /nfs/dbraw/zinc/71/59/69/483715969.db2.gz XGWFYPQSMWODGW-ZDUSSCGKSA-N -1 0 374.415 -0.169 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1 ZINC000285299659 483716369 /nfs/dbraw/zinc/71/63/69/483716369.db2.gz YBVOXJGBNCRVSN-SKDRFNHKSA-N -1 0 360.388 -0.825 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000285310975 483716351 /nfs/dbraw/zinc/71/63/51/483716351.db2.gz YZLJTBBXBOZFLR-DGCLKSJQSA-N -1 0 372.399 -0.729 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000285310978 483716021 /nfs/dbraw/zinc/71/60/21/483716021.db2.gz YZLJTBBXBOZFLR-YPMHNXCESA-N -1 0 372.399 -0.729 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NC3(c4nc[nH]n4)CCC3)cc-2c(=O)[n-]1 ZINC000285494670 483719832 /nfs/dbraw/zinc/71/98/32/483719832.db2.gz DPCXBWTYWZNOGA-UHFFFAOYSA-N -1 0 363.359 -0.088 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)[O-])CC2)cc1 ZINC000285626111 483721498 /nfs/dbraw/zinc/72/14/98/483721498.db2.gz KBMKSTIEFXVAME-UHFFFAOYSA-N -1 0 369.399 -0.010 20 0 FBADRM COc1ccc(C(=O)NCCN2CCN(C(=O)CNC(=O)[O-])CC2)cc1 ZINC000285633834 483721673 /nfs/dbraw/zinc/72/16/73/483721673.db2.gz KOPNUEJFMORASQ-UHFFFAOYSA-N -1 0 364.402 -0.163 20 0 FBADRM COC(=O)c1cn(CCNC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)nn1 ZINC000285730894 483722550 /nfs/dbraw/zinc/72/25/50/483722550.db2.gz IEJSRKXXNGNJDE-VIFPVBQESA-N -1 0 365.312 -0.116 20 0 FBADRM COC(=O)c1cn(CCNC(=O)c2ccccc2[N-]S(C)(=O)=O)nn1 ZINC000285810323 483724279 /nfs/dbraw/zinc/72/42/79/483724279.db2.gz NHURMHBECSWPLZ-UHFFFAOYSA-N -1 0 367.387 -0.134 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)[O-])CC2)cc1 ZINC000285857192 483724859 /nfs/dbraw/zinc/72/48/59/483724859.db2.gz ZMGDNBXJTPGYJR-UHFFFAOYSA-N -1 0 357.388 -0.204 20 0 FBADRM CN(C)S(=O)(=O)C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)C(F)(F)F ZINC000285888763 483725692 /nfs/dbraw/zinc/72/56/92/483725692.db2.gz BUODWWUJXKOWPD-SSDOTTSWSA-N -1 0 372.325 -0.962 20 0 FBADRM CN(C)S(=O)(=O)C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)C(F)(F)F ZINC000285888766 483726045 /nfs/dbraw/zinc/72/60/45/483726045.db2.gz BUODWWUJXKOWPD-ZETCQYMHSA-N -1 0 372.325 -0.962 20 0 FBADRM CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c1 ZINC000286196678 483733228 /nfs/dbraw/zinc/73/32/28/483733228.db2.gz AMCUONHEQNCFHI-UHFFFAOYSA-N -1 0 371.371 -0.041 20 0 FBADRM Cc1cc(C(=O)N[C@@H](CO)C(N)=O)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000286351532 483735471 /nfs/dbraw/zinc/73/54/71/483735471.db2.gz KWSJGRCWRAKDDD-VIFPVBQESA-N -1 0 369.321 -0.167 20 0 FBADRM NC(=O)[C@]1(O)CCN(C(=O)CCn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000286459627 483737651 /nfs/dbraw/zinc/73/76/51/483737651.db2.gz JPJRRIBFOMPMCE-INIZCTEOSA-N -1 0 362.411 -0.476 20 0 FBADRM NC(=O)[C@@]1(O)CCN(C(=O)CCn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000286459631 483737605 /nfs/dbraw/zinc/73/76/05/483737605.db2.gz JPJRRIBFOMPMCE-MRXNPFEDSA-N -1 0 362.411 -0.476 20 0 FBADRM CCC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)[N-]c1ncnn1-2)C(N)=O ZINC000286501405 483738410 /nfs/dbraw/zinc/73/84/10/483738410.db2.gz YGGXYDPREONAAH-VIFPVBQESA-N -1 0 364.387 -0.235 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000286506376 483738371 /nfs/dbraw/zinc/73/83/71/483738371.db2.gz QQEDONLVHFSGPV-SSDOTTSWSA-N -1 0 355.342 -0.431 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@H](N1CCOCC1)C(F)(F)F ZINC000286506378 483738590 /nfs/dbraw/zinc/73/85/90/483738590.db2.gz QQEDONLVHFSGPV-ZETCQYMHSA-N -1 0 355.342 -0.431 20 0 FBADRM Cn1c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc2ccccc2c1=O ZINC000286616910 483740660 /nfs/dbraw/zinc/74/06/60/483740660.db2.gz YKXATPNCKCBONK-UHFFFAOYSA-N -1 0 351.384 -0.266 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccnc(NC(=O)C2CC2)c1 ZINC000286630103 483740745 /nfs/dbraw/zinc/74/07/45/483740745.db2.gz ZPUAJHLMILUFSC-UHFFFAOYSA-N -1 0 354.388 -0.374 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000286752278 244367721 /nfs/dbraw/zinc/36/77/21/244367721.db2.gz STBZNWGEPGLFKN-MRVPVSSYSA-N -1 0 361.449 -0.737 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCCN1C(=O)c2ccccc2C1=O ZINC000286889119 483743543 /nfs/dbraw/zinc/74/35/43/483743543.db2.gz OOYWCRHMJZVOMD-UHFFFAOYSA-N -1 0 361.383 -0.007 20 0 FBADRM CCCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC000287077216 483746839 /nfs/dbraw/zinc/74/68/39/483746839.db2.gz BXLBWIVBNVDEID-NSHDSACASA-N -1 0 366.417 -0.901 20 0 FBADRM CCCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC000287096823 483747547 /nfs/dbraw/zinc/74/75/47/483747547.db2.gz DIIJCOCBUJLLIE-LLVKDONJSA-N -1 0 366.417 -0.901 20 0 FBADRM CCCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC000287096825 483747876 /nfs/dbraw/zinc/74/78/76/483747876.db2.gz DIIJCOCBUJLLIE-NSHDSACASA-N -1 0 366.417 -0.901 20 0 FBADRM Cc1nc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c(Br)n1C ZINC000287129268 484956166 /nfs/dbraw/zinc/95/61/66/484956166.db2.gz GSEPZFFJHUEUNK-XINAWCOVSA-N -1 0 356.198 -0.397 20 0 FBADRM Cc1nc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c(Br)n1C ZINC000287185999 484958814 /nfs/dbraw/zinc/95/88/14/484958814.db2.gz KONCNIBAXIUTOL-LURJTMIESA-N -1 0 356.198 -0.395 20 0 FBADRM Cc1nc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c(Br)n1C ZINC000287186002 484958818 /nfs/dbraw/zinc/95/88/18/484958818.db2.gz KONCNIBAXIUTOL-ZCFIWIBFSA-N -1 0 356.198 -0.395 20 0 FBADRM Cc1nc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c(Br)n1C ZINC000287195834 484958121 /nfs/dbraw/zinc/95/81/21/484958121.db2.gz LJFZWWXLWHKSAJ-LURJTMIESA-N -1 0 356.198 -0.395 20 0 FBADRM Cc1nc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c(Br)n1C ZINC000287245360 484960590 /nfs/dbraw/zinc/96/05/90/484960590.db2.gz PCAWUKKRJAAAIK-RXMQYKEDSA-N -1 0 369.197 -0.902 20 0 FBADRM Cc1nc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c(Br)n1C ZINC000287245366 484959960 /nfs/dbraw/zinc/95/99/60/484959960.db2.gz PCAWUKKRJAAAIK-YFKPBYRVSA-N -1 0 369.197 -0.902 20 0 FBADRM CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000287268447 483749998 /nfs/dbraw/zinc/74/99/98/483749998.db2.gz LCZKSLXJKNJYTJ-BDAKNGLRSA-N -1 0 363.465 -0.586 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000287268452 483749952 /nfs/dbraw/zinc/74/99/52/483749952.db2.gz LCZKSLXJKNJYTJ-DTWKUNHWSA-N -1 0 363.465 -0.586 20 0 FBADRM CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000287268457 483749878 /nfs/dbraw/zinc/74/98/78/483749878.db2.gz LCZKSLXJKNJYTJ-IUCAKERBSA-N -1 0 363.465 -0.586 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000287268462 483749811 /nfs/dbraw/zinc/74/98/11/483749811.db2.gz LCZKSLXJKNJYTJ-RKDXNWHRSA-N -1 0 363.465 -0.586 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000287409704 483751894 /nfs/dbraw/zinc/75/18/94/483751894.db2.gz FEWVEESOOMQXDX-LLVKDONJSA-N -1 0 370.431 -0.185 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000287409715 483751752 /nfs/dbraw/zinc/75/17/52/483751752.db2.gz FEWVEESOOMQXDX-NSHDSACASA-N -1 0 370.431 -0.185 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1cccnc1C(F)(F)F ZINC000287448473 483752135 /nfs/dbraw/zinc/75/21/35/483752135.db2.gz HYGSTHQBKSYAJO-UHFFFAOYSA-N -1 0 355.294 -0.030 20 0 FBADRM Cc1nc(Cl)ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000287465794 483753159 /nfs/dbraw/zinc/75/31/59/483753159.db2.gz JDJDPFHXNIZMIK-MRVPVSSYSA-N -1 0 368.820 -0.084 20 0 FBADRM Cc1nc(Cl)ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000287465798 483753201 /nfs/dbraw/zinc/75/32/01/483753201.db2.gz JDJDPFHXNIZMIK-QMMMGPOBSA-N -1 0 368.820 -0.084 20 0 FBADRM COC(=O)[C@@H](CF)[N-]S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000287482394 483753591 /nfs/dbraw/zinc/75/35/91/483753591.db2.gz QKGSHOROZFLDPA-LLVKDONJSA-N -1 0 368.408 -0.605 20 0 FBADRM COC(=O)[C@H](CF)[N-]S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000287482396 483753732 /nfs/dbraw/zinc/75/37/32/483753732.db2.gz QKGSHOROZFLDPA-NSHDSACASA-N -1 0 368.408 -0.605 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c(Br)n1C ZINC000287485924 484970758 /nfs/dbraw/zinc/97/07/58/484970758.db2.gz KKPNJBKETKZVAI-SSDOTTSWSA-N -1 0 368.209 -0.035 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c(Br)n1C ZINC000287485929 484970710 /nfs/dbraw/zinc/97/07/10/484970710.db2.gz KKPNJBKETKZVAI-ZETCQYMHSA-N -1 0 368.209 -0.035 20 0 FBADRM Cc1nc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c(Br)n1C ZINC000287520769 484972768 /nfs/dbraw/zinc/97/27/68/484972768.db2.gz MLJRBBKPYAHOSS-RNFRBKRXSA-N -1 0 368.209 -0.300 20 0 FBADRM Cc1nc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c(Br)n1C ZINC000287520776 484973006 /nfs/dbraw/zinc/97/30/06/484973006.db2.gz MLJRBBKPYAHOSS-RQJHMYQMSA-N -1 0 368.209 -0.300 20 0 FBADRM Cc1nc(S(=O)(=O)N(CCO)CC(=O)[O-])c(Br)n1C ZINC000287532228 484972517 /nfs/dbraw/zinc/97/25/17/484972517.db2.gz NARQSCQRYSRHCC-UHFFFAOYSA-N -1 0 356.198 -0.441 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000287557514 483754845 /nfs/dbraw/zinc/75/48/45/483754845.db2.gz OJFHMSBVVMYTBY-GHMZBOCLSA-N -1 0 356.404 -0.575 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000287557517 483754648 /nfs/dbraw/zinc/75/46/48/483754648.db2.gz OJFHMSBVVMYTBY-MNOVXSKESA-N -1 0 356.404 -0.575 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000287557519 483754652 /nfs/dbraw/zinc/75/46/52/483754652.db2.gz OJFHMSBVVMYTBY-QWRGUYRKSA-N -1 0 356.404 -0.575 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000287557522 483754874 /nfs/dbraw/zinc/75/48/74/483754874.db2.gz OJFHMSBVVMYTBY-WDEREUQCSA-N -1 0 356.404 -0.575 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCS(=O)(=O)Cc1ccccc1 ZINC000287565184 844069368 /nfs/dbraw/zinc/06/93/68/844069368.db2.gz PHGTWGYBPGPEQM-UHFFFAOYSA-N -1 0 356.429 -0.079 20 0 FBADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cn1C ZINC000287657305 483756709 /nfs/dbraw/zinc/75/67/09/483756709.db2.gz VFTSPAHOHZXNTL-LLVKDONJSA-N -1 0 374.371 -0.755 20 0 FBADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cn1C ZINC000287657311 483756779 /nfs/dbraw/zinc/75/67/79/483756779.db2.gz VFTSPAHOHZXNTL-NSHDSACASA-N -1 0 374.371 -0.755 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000287839109 844073658 /nfs/dbraw/zinc/07/36/58/844073658.db2.gz CORFQKDPBSVASN-LURJTMIESA-N -1 0 353.326 -0.140 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000287839113 844073696 /nfs/dbraw/zinc/07/36/96/844073696.db2.gz CORFQKDPBSVASN-ZCFIWIBFSA-N -1 0 353.326 -0.140 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)[N-]OCCCOC)ccc1F ZINC000287931499 483761518 /nfs/dbraw/zinc/76/15/18/483761518.db2.gz DVZGQTRWKYHZBO-UHFFFAOYSA-N -1 0 363.367 -0.243 20 0 FBADRM COCCCO[N-]C(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000287936487 483761971 /nfs/dbraw/zinc/76/19/71/483761971.db2.gz FGCAUCBJTHCONJ-UHFFFAOYSA-N -1 0 359.404 -0.040 20 0 FBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000288022470 483763235 /nfs/dbraw/zinc/76/32/35/483763235.db2.gz CHRAMYGYSBAUEM-JTQLQIEISA-N -1 0 355.420 -0.639 20 0 FBADRM CSCCO[N-]C(=O)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000288022477 483763227 /nfs/dbraw/zinc/76/32/27/483763227.db2.gz CHRAMYGYSBAUEM-SNVBAGLBSA-N -1 0 355.420 -0.639 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000288094488 483765112 /nfs/dbraw/zinc/76/51/12/483765112.db2.gz AHSKKJUJUANAMC-UHFFFAOYSA-N -1 0 354.432 -0.391 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NC(N)=O)c(Br)n1C ZINC000288131405 483765599 /nfs/dbraw/zinc/76/55/99/483765599.db2.gz MQNUWBDTMCHUBB-UHFFFAOYSA-N -1 0 368.213 -0.646 20 0 FBADRM COC(=O)c1c(C)csc1NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000288132500 483765615 /nfs/dbraw/zinc/76/56/15/483765615.db2.gz UIUKQEKZZUBLNU-MRVPVSSYSA-N -1 0 355.372 -0.506 20 0 FBADRM COC(=O)c1c(C)csc1NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000288132504 483765491 /nfs/dbraw/zinc/76/54/91/483765491.db2.gz UIUKQEKZZUBLNU-QMMMGPOBSA-N -1 0 355.372 -0.506 20 0 FBADRM CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)c1ccc(O)cc1)C2 ZINC000288191513 483766687 /nfs/dbraw/zinc/76/66/87/483766687.db2.gz RYMCXCMHGRXQRG-UHFFFAOYSA-N -1 0 373.369 -0.936 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000288215968 483767731 /nfs/dbraw/zinc/76/77/31/483767731.db2.gz MALUHEYMSWDKEJ-UHFFFAOYSA-N -1 0 355.376 -0.104 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)[N-]OCC(C)(C)O)cc1 ZINC000288244626 483768081 /nfs/dbraw/zinc/76/80/81/483768081.db2.gz XIAVOZSVJDHTQI-UHFFFAOYSA-N -1 0 374.415 -0.040 20 0 FBADRM O=C1N[C@@H](Cc2c[nH]cn2)C(=O)N1CCNS(=O)(=O)c1cccs1 ZINC000288263869 483768188 /nfs/dbraw/zinc/76/81/88/483768188.db2.gz JYBOFJORKTYXQQ-JTQLQIEISA-N -1 0 369.428 -0.087 20 0 FBADRM CCc1ccc(NC(=O)C(=O)[N-]OCCCOC)cc1S(N)(=O)=O ZINC000288304973 483769203 /nfs/dbraw/zinc/76/92/03/483769203.db2.gz RRQQLCXHEDUARV-UHFFFAOYSA-N -1 0 359.404 -0.081 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)NC2(C(=O)OC)CC2)ccc1F ZINC000288310586 483769456 /nfs/dbraw/zinc/76/94/56/483769456.db2.gz ZCAFCNUUHDLEAP-UHFFFAOYSA-N -1 0 373.362 -0.506 20 0 FBADRM COCCCO[N-]C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000288331641 483769965 /nfs/dbraw/zinc/76/99/65/483769965.db2.gz XFZYUWRXLYVKEZ-UHFFFAOYSA-N -1 0 374.195 -0.023 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)[N-]OCCCOC)ccc1C ZINC000288335257 483769747 /nfs/dbraw/zinc/76/97/47/483769747.db2.gz UPZYZWVFVPPMDA-UHFFFAOYSA-N -1 0 359.404 -0.074 20 0 FBADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)[N-]OCCCOC)c1 ZINC000288364426 483770400 /nfs/dbraw/zinc/77/04/00/483770400.db2.gz WLEFVDZJNAOORR-UHFFFAOYSA-N -1 0 359.404 -0.074 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)C(=O)[N-]OCCCOC)c1C ZINC000288380882 483770367 /nfs/dbraw/zinc/77/03/67/483770367.db2.gz XTVUJPMLJNDVKM-UHFFFAOYSA-N -1 0 359.404 -0.074 20 0 FBADRM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)[N-]OCCCOC)CC2 ZINC000288396192 483770894 /nfs/dbraw/zinc/77/08/94/483770894.db2.gz YWRHBWNFZJTAHN-UHFFFAOYSA-N -1 0 371.415 -0.432 20 0 FBADRM CCNS(=O)(=O)c1ccc(CNC(=O)CSc2n[nH]c(=O)[n-]2)cc1 ZINC000288533343 844090972 /nfs/dbraw/zinc/09/09/72/844090972.db2.gz VJRTUUMFZOUJNI-UHFFFAOYSA-N -1 0 371.444 -0.195 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)[N-]c2n[nH]c(C)c2C(N)=O)CC1 ZINC000288541862 483773519 /nfs/dbraw/zinc/77/35/19/483773519.db2.gz OXTWGSIBCJHXFF-UHFFFAOYSA-N -1 0 359.408 -0.251 20 0 FBADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)[N-]c2nc(OC)n[nH]2)cn1C ZINC000288548140 483773527 /nfs/dbraw/zinc/77/35/27/483773527.db2.gz IPFSUWRSBICBNC-UHFFFAOYSA-N -1 0 357.348 -0.302 20 0 FBADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)[N-]c2nc(N(C)C)n[nH]2)cn1C ZINC000288588510 483774152 /nfs/dbraw/zinc/77/41/52/483774152.db2.gz MOFURZATWHMLKD-UHFFFAOYSA-N -1 0 370.391 -0.244 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000288595294 483773820 /nfs/dbraw/zinc/77/38/20/483773820.db2.gz NIILKSZRBLTZQE-UHFFFAOYSA-N -1 0 364.387 -0.525 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)Nc2ccn(CC(N)=O)n2)CC1 ZINC000288600971 483774133 /nfs/dbraw/zinc/77/41/33/483774133.db2.gz TVWMMKWOIBHLMN-UHFFFAOYSA-N -1 0 359.408 -0.700 20 0 FBADRM C[C@@H]1CN(CCN(C)C(=O)C(=O)/N=c2/ccnc3n(C)[nH]cc2-3)C[C@H](C)O1 ZINC000288603991 483774003 /nfs/dbraw/zinc/77/40/03/483774003.db2.gz ZVDRSRHEQOAPGA-YSLGGIJNSA-N -1 0 374.445 -0.152 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000288604061 483774191 /nfs/dbraw/zinc/77/41/91/483774191.db2.gz UEEUBOXSUXRDPP-UHFFFAOYSA-N -1 0 371.415 -0.157 20 0 FBADRM CC(C)(CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)OCCO ZINC000288684814 483775656 /nfs/dbraw/zinc/77/56/56/483775656.db2.gz UTIBDJHWQKPHMX-UHFFFAOYSA-N -1 0 358.376 -0.498 20 0 FBADRM CCN1CCN(CC(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)C(=O)C1=O ZINC000288686894 483775832 /nfs/dbraw/zinc/77/58/32/483775832.db2.gz AGIGAZNMKRKMQX-UHFFFAOYSA-N -1 0 358.358 -0.606 20 0 FBADRM COC(=O)CCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000288709855 483775781 /nfs/dbraw/zinc/77/57/81/483775781.db2.gz FRCVBFYGPFCJGT-UHFFFAOYSA-N -1 0 363.326 -0.148 20 0 FBADRM COC(=O)CCCO[N-]C(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000288723103 483776238 /nfs/dbraw/zinc/77/62/38/483776238.db2.gz GPJMQAWYEOETRV-UHFFFAOYSA-N -1 0 366.309 -0.259 20 0 FBADRM COC(=O)CCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000288736668 483776373 /nfs/dbraw/zinc/77/63/73/483776373.db2.gz HPJOZWXJYYEZCC-UHFFFAOYSA-N -1 0 364.358 -0.184 20 0 FBADRM COC(=O)CCCO[N-]C(=O)C(=O)Nc1c(OC)ncnc1N(C)C ZINC000288793070 483777145 /nfs/dbraw/zinc/77/71/45/483777145.db2.gz MQLJXNATNGHNJD-UHFFFAOYSA-N -1 0 355.351 -0.509 20 0 FBADRM CCCS(=O)(=O)c1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1 ZINC000288802166 483777377 /nfs/dbraw/zinc/77/73/77/483777377.db2.gz AMDOSLLQJJKRKB-UHFFFAOYSA-N -1 0 365.429 -0.062 20 0 FBADRM CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cc1 ZINC000288802226 483777399 /nfs/dbraw/zinc/77/73/99/483777399.db2.gz AMVGQYUSRSBSGT-GFCCVEGCSA-N -1 0 365.429 -0.016 20 0 FBADRM CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cc1 ZINC000288802229 483777500 /nfs/dbraw/zinc/77/75/00/483777500.db2.gz AMVGQYUSRSBSGT-LBPRGKRZSA-N -1 0 365.429 -0.016 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000288831552 483777869 /nfs/dbraw/zinc/77/78/69/483777869.db2.gz CICXGERAZLKSIE-MRVPVSSYSA-N -1 0 370.391 -0.434 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000288831554 483777936 /nfs/dbraw/zinc/77/79/36/483777936.db2.gz CICXGERAZLKSIE-QMMMGPOBSA-N -1 0 370.391 -0.434 20 0 FBADRM COC(=O)CCCO[N-]C(=O)C(=O)Nc1ccc(C)c(-n2cnnn2)c1 ZINC000288904027 483778997 /nfs/dbraw/zinc/77/89/97/483778997.db2.gz WMLPXBWOZXMLBY-UHFFFAOYSA-N -1 0 362.346 -0.090 20 0 FBADRM Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000288909714 483778817 /nfs/dbraw/zinc/77/88/17/483778817.db2.gz KMTWYYLALUHXRK-IONNQARKSA-N -1 0 352.372 -0.093 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000288962102 483779658 /nfs/dbraw/zinc/77/96/58/483779658.db2.gz DSMVFDFTTGBOBB-UHFFFAOYSA-N -1 0 369.403 -0.341 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000288990623 483780351 /nfs/dbraw/zinc/78/03/51/483780351.db2.gz SFRKJCYUBKJIOJ-JTQLQIEISA-N -1 0 351.388 -0.235 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000288990627 483780035 /nfs/dbraw/zinc/78/00/35/483780035.db2.gz SFRKJCYUBKJIOJ-SNVBAGLBSA-N -1 0 351.388 -0.235 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cn1C ZINC000289005400 483780047 /nfs/dbraw/zinc/78/00/47/483780047.db2.gz UHHKKJJWYNWCPE-SECBINFHSA-N -1 0 368.419 -0.636 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cn1C ZINC000289005407 483780125 /nfs/dbraw/zinc/78/01/25/483780125.db2.gz UHHKKJJWYNWCPE-VIFPVBQESA-N -1 0 368.419 -0.636 20 0 FBADRM O=C(CN1CCS(=O)(=O)CC1)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000289105992 483781212 /nfs/dbraw/zinc/78/12/12/483781212.db2.gz SCQMFFWLWSMLQC-UHFFFAOYSA-N -1 0 351.388 -0.566 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(C(=O)NC)n(C)c2)C1=O ZINC000289122681 483781725 /nfs/dbraw/zinc/78/17/25/483781725.db2.gz ISORSNMOOXPGAW-CYBMUJFWSA-N -1 0 357.392 -0.702 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(C(=O)NC)n(C)c2)C1=O ZINC000289122682 483781939 /nfs/dbraw/zinc/78/19/39/483781939.db2.gz ISORSNMOOXPGAW-ZDUSSCGKSA-N -1 0 357.392 -0.702 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)CC1 ZINC000289159885 661629483 /nfs/dbraw/zinc/62/94/83/661629483.db2.gz YGKRVEJOWKZQEC-UHFFFAOYSA-N -1 0 366.403 -0.381 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1=O ZINC000289224466 483782927 /nfs/dbraw/zinc/78/29/27/483782927.db2.gz RDQYPXOVQUSGDP-CYBMUJFWSA-N -1 0 365.375 -0.424 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1=O ZINC000289224470 483782847 /nfs/dbraw/zinc/78/28/47/483782847.db2.gz RDQYPXOVQUSGDP-ZDUSSCGKSA-N -1 0 365.375 -0.424 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)C1=O ZINC000289303505 483784005 /nfs/dbraw/zinc/78/40/05/483784005.db2.gz ZVVSXSYALVRAPL-AWEZNQCLSA-N -1 0 370.387 -0.292 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)C1=O ZINC000289303510 483784245 /nfs/dbraw/zinc/78/42/45/483784245.db2.gz ZVVSXSYALVRAPL-CQSZACIVSA-N -1 0 370.387 -0.292 20 0 FBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000289356007 483784779 /nfs/dbraw/zinc/78/47/79/483784779.db2.gz MCFFZKBSJOIBLL-JTQLQIEISA-N -1 0 355.420 -0.558 20 0 FBADRM CSCCO[N-]C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000289356010 483784656 /nfs/dbraw/zinc/78/46/56/483784656.db2.gz MCFFZKBSJOIBLL-SNVBAGLBSA-N -1 0 355.420 -0.558 20 0 FBADRM O=C(CNS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)[N-]OCc1ccccc1 ZINC000289495984 483787093 /nfs/dbraw/zinc/78/70/93/483787093.db2.gz ZMNUEFPNICGBSG-GFCCVEGCSA-N -1 0 362.429 -0.659 20 0 FBADRM O=C(CNS(=O)(=O)[C@H]1CCS(=O)(=O)C1)[N-]OCc1ccccc1 ZINC000289495988 483787228 /nfs/dbraw/zinc/78/72/28/483787228.db2.gz ZMNUEFPNICGBSG-LBPRGKRZSA-N -1 0 362.429 -0.659 20 0 FBADRM CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)[N-]OCCSC)C1=O ZINC000289552090 483787889 /nfs/dbraw/zinc/78/78/89/483787889.db2.gz SDGNTSOOKDNQLK-LLVKDONJSA-N -1 0 369.447 -0.075 20 0 FBADRM CCn1nccc1N1CCC[C@H](NC(=O)C(=O)[N-]OCCSC)C1=O ZINC000289552095 483787927 /nfs/dbraw/zinc/78/79/27/483787927.db2.gz SDGNTSOOKDNQLK-NSHDSACASA-N -1 0 369.447 -0.075 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c(OC)c1 ZINC000289562357 657375536 /nfs/dbraw/zinc/37/55/36/657375536.db2.gz DTHWTYBSRHMZNG-UHFFFAOYSA-N -1 0 374.371 -0.649 20 0 FBADRM CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1 ZINC000289635763 244376132 /nfs/dbraw/zinc/37/61/32/244376132.db2.gz JAABPDXWQGERHJ-SKDRFNHKSA-N -1 0 365.429 -0.017 20 0 FBADRM CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC000289635867 244375046 /nfs/dbraw/zinc/37/50/46/244375046.db2.gz JBFOJLIDIFHZIF-LLVKDONJSA-N -1 0 351.402 -0.406 20 0 FBADRM CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC000289635869 244375037 /nfs/dbraw/zinc/37/50/37/244375037.db2.gz JBFOJLIDIFHZIF-NSHDSACASA-N -1 0 351.402 -0.406 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c(OC)c1 ZINC000289647126 658005565 /nfs/dbraw/zinc/00/55/65/658005565.db2.gz JSKIHTLJYWAQMH-VIFPVBQESA-N -1 0 374.371 -0.521 20 0 FBADRM Cn1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C(F)(F)C2)cc1C(N)=O ZINC000289659194 244374848 /nfs/dbraw/zinc/37/48/48/244374848.db2.gz KHNUXVWGSAWMLV-MRVPVSSYSA-N -1 0 351.331 -0.146 20 0 FBADRM Cn1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C(F)(F)C2)cc1C(N)=O ZINC000289659199 244375389 /nfs/dbraw/zinc/37/53/89/244375389.db2.gz KHNUXVWGSAWMLV-QMMMGPOBSA-N -1 0 351.331 -0.146 20 0 FBADRM COC(=O)[C@H]1CC[C@@H](C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)O1 ZINC000289697799 244375315 /nfs/dbraw/zinc/37/53/15/244375315.db2.gz DJDWSONDHICMOB-NTSWFWBYSA-N -1 0 350.378 -0.431 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(N2CCNC(=O)C2)nc1 ZINC000289834366 483790115 /nfs/dbraw/zinc/79/01/15/483790115.db2.gz SXWUYSCZRJVGGG-UHFFFAOYSA-N -1 0 350.404 -0.139 20 0 FBADRM O=C(c1cc(O)ccc1Cl)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000289871668 483570931 /nfs/dbraw/zinc/57/09/31/483570931.db2.gz QMFPHQJZEZHBQK-KBPBESRZSA-N -1 0 374.846 -0.039 20 0 FBADRM O=C(c1cc(O)ccc1Cl)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000289871673 483570505 /nfs/dbraw/zinc/57/05/05/483570505.db2.gz QMFPHQJZEZHBQK-KGLIPLIRSA-N -1 0 374.846 -0.039 20 0 FBADRM O=C(c1cc(O)ccc1Cl)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000289871678 483570208 /nfs/dbraw/zinc/57/02/08/483570208.db2.gz QMFPHQJZEZHBQK-UONOGXRCSA-N -1 0 374.846 -0.039 20 0 FBADRM O=C(c1cc(O)ccc1Cl)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000289871682 483571068 /nfs/dbraw/zinc/57/10/68/483571068.db2.gz QMFPHQJZEZHBQK-ZIAGYGMSSA-N -1 0 374.846 -0.039 20 0 FBADRM CCCS(=O)(=O)c1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cc1 ZINC000289888639 483790404 /nfs/dbraw/zinc/79/04/04/483790404.db2.gz XDHXYFMRCZDWLO-LBPRGKRZSA-N -1 0 365.429 -0.016 20 0 FBADRM COC(=O)c1cc(OC)c(S(=O)(=O)NCCc2nc(=O)o[n-]2)s1 ZINC000290024059 483791842 /nfs/dbraw/zinc/79/18/42/483791842.db2.gz BFKFFTZLIGOJPD-UHFFFAOYSA-N -1 0 363.373 -0.259 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccc(S(N)(=O)=O)cc1C ZINC000290039778 483792642 /nfs/dbraw/zinc/79/26/42/483792642.db2.gz ZPLJLNOAZWTWAQ-UHFFFAOYSA-N -1 0 360.417 0.000 20 0 FBADRM COC(=O)COc1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000290076221 483793306 /nfs/dbraw/zinc/79/33/06/483793306.db2.gz GMRMMBPICPUJKX-UHFFFAOYSA-N -1 0 357.344 -0.564 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)cc1OC ZINC000290088120 483793149 /nfs/dbraw/zinc/79/31/49/483793149.db2.gz HOPVVWVOWPFLLP-UHFFFAOYSA-N -1 0 357.344 -0.321 20 0 FBADRM Cc1nc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c(Br)n1C ZINC000290089519 244382408 /nfs/dbraw/zinc/38/24/08/244382408.db2.gz HSCDHPPZQJJYSF-UHFFFAOYSA-N -1 0 366.197 -0.312 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000290135354 244383524 /nfs/dbraw/zinc/38/35/24/244383524.db2.gz MDKFUJBZRAEGSM-UHFFFAOYSA-N -1 0 370.387 -0.740 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)NCCc2nc(=O)o[n-]2)ccc1F ZINC000290152947 244381431 /nfs/dbraw/zinc/38/14/31/244381431.db2.gz NSZFFBVCCWKPRY-UHFFFAOYSA-N -1 0 365.364 -0.574 20 0 FBADRM O=C(NC1CC1)c1cccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000290155356 244383022 /nfs/dbraw/zinc/38/30/22/244383022.db2.gz OAUNXUPZTUSBOO-UHFFFAOYSA-N -1 0 352.372 -0.224 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c(OC)c1 ZINC000290162090 244382360 /nfs/dbraw/zinc/38/23/60/244382360.db2.gz OTFSKVDDXVNHKV-UHFFFAOYSA-N -1 0 357.344 -0.321 20 0 FBADRM COc1cc(OC)c(S(=O)(=O)NCCc2nc(=O)o[n-]2)c(OC)c1 ZINC000290206921 244382877 /nfs/dbraw/zinc/38/28/77/244382877.db2.gz UQQMQIUFIHJGQZ-UHFFFAOYSA-N -1 0 359.360 -0.090 20 0 FBADRM O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NCCc1nc(=O)o[n-]1 ZINC000290364390 483795420 /nfs/dbraw/zinc/79/54/20/483795420.db2.gz HCUUGWHNTFDRRQ-UHFFFAOYSA-N -1 0 360.779 -0.347 20 0 FBADRM NC(=O)CO[N-]C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000290376129 483795606 /nfs/dbraw/zinc/79/56/06/483795606.db2.gz NTJCFAHJYCOWDM-UHFFFAOYSA-N -1 0 355.294 -0.483 20 0 FBADRM Cc1ccc(S(=O)(=O)NCC(=O)NCCc2nc(=O)o[n-]2)cc1C ZINC000290409414 483795739 /nfs/dbraw/zinc/79/57/39/483795739.db2.gz LEMXHNYENKMHTN-UHFFFAOYSA-N -1 0 354.388 -0.383 20 0 FBADRM NC(=O)CO[N-]C(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC000290412476 483795830 /nfs/dbraw/zinc/79/58/30/483795830.db2.gz QVJOOAKGJLTSJH-UHFFFAOYSA-N -1 0 372.222 -0.678 20 0 FBADRM COC(=O)c1nscc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000290425795 483796213 /nfs/dbraw/zinc/79/62/13/483796213.db2.gz ABLPBTSKSOMRLU-UHFFFAOYSA-N -1 0 371.462 -0.047 20 0 FBADRM CCOC[C@H](NS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000290427912 483796417 /nfs/dbraw/zinc/79/64/17/483796417.db2.gz AUHCBQGVLWIZGV-NSHDSACASA-N -1 0 351.402 -0.142 20 0 FBADRM CCOC[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000290429580 483796545 /nfs/dbraw/zinc/79/65/45/483796545.db2.gz AUYDBCXHPPKPIN-VIFPVBQESA-N -1 0 352.390 -0.747 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]c1ccccc1C(=O)NCCC(N)=O ZINC000290444673 483796315 /nfs/dbraw/zinc/79/63/15/483796315.db2.gz CMDDCPIJUFOTSG-UHFFFAOYSA-N -1 0 357.388 -0.403 20 0 FBADRM CCOC[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC)c1)C(=O)[O-] ZINC000290457483 483796370 /nfs/dbraw/zinc/79/63/70/483796370.db2.gz DGEYJXUHTNHIFI-NSHDSACASA-N -1 0 366.417 -0.637 20 0 FBADRM CCOC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1)C(=O)[O-] ZINC000290461322 483796620 /nfs/dbraw/zinc/79/66/20/483796620.db2.gz DOSNRNANPYADAW-NSHDSACASA-N -1 0 366.417 -0.637 20 0 FBADRM CCOC[C@H](NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(=O)[O-] ZINC000290475076 483796140 /nfs/dbraw/zinc/79/61/40/483796140.db2.gz FNAMDJWEZMGKSI-JTQLQIEISA-N -1 0 369.392 -0.003 20 0 FBADRM COC(=O)CCCO[N-]C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000290480284 483797085 /nfs/dbraw/zinc/79/70/85/483797085.db2.gz DBVLZCYNUQQKBY-UHFFFAOYSA-N -1 0 364.152 -0.288 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)NCC(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000290492331 483797197 /nfs/dbraw/zinc/79/71/97/483797197.db2.gz RTRNZQJDWPQGMU-UHFFFAOYSA-N -1 0 368.371 -0.797 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCCn1cc(CO)nn1 ZINC000290500675 483796957 /nfs/dbraw/zinc/79/69/57/483796957.db2.gz GARZGPLJAVANFJ-JTQLQIEISA-N -1 0 351.329 -0.020 20 0 FBADRM COC(=O)CCCO[N-]C(=O)CNC1=NS(=O)(=O)c2ccccc21 ZINC000290523551 483797223 /nfs/dbraw/zinc/79/72/23/483797223.db2.gz GGYGBPPZTHRPHH-UHFFFAOYSA-N -1 0 355.372 -0.274 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)NCC1(N2CCOCC2)CC1 ZINC000290538829 483797146 /nfs/dbraw/zinc/79/71/46/483797146.db2.gz VWIYMLOFNJLHRH-UHFFFAOYSA-N -1 0 372.447 -0.449 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)N(C)[C@H](C)CN1CCOCC1 ZINC000290549233 483797811 /nfs/dbraw/zinc/79/78/11/483797811.db2.gz AUHCSTVMLAMTDU-LLVKDONJSA-N -1 0 374.463 -0.251 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)N(C)[C@@H](C)CN1CCOCC1 ZINC000290550878 483797877 /nfs/dbraw/zinc/79/78/77/483797877.db2.gz AUHCSTVMLAMTDU-NSHDSACASA-N -1 0 374.463 -0.251 20 0 FBADRM COCCCn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)n1 ZINC000290571409 483797824 /nfs/dbraw/zinc/79/78/24/483797824.db2.gz UJBRGVHEHNVVPF-UHFFFAOYSA-N -1 0 368.481 -0.057 20 0 FBADRM COCCOCCS(=O)(=O)[N-]c1cc2c(cc1O)n(C)c(=O)n2C ZINC000290585401 483797644 /nfs/dbraw/zinc/79/76/44/483797644.db2.gz WLGNFLFYXCHSTP-UHFFFAOYSA-N -1 0 359.404 -0.013 20 0 FBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NCCCn1cc(CO)nn1 ZINC000290598912 483798415 /nfs/dbraw/zinc/79/84/15/483798415.db2.gz MZRPIHHPLHFGOP-UHFFFAOYSA-N -1 0 374.426 -0.025 20 0 FBADRM COCc1cc(Cl)cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000290634147 483798289 /nfs/dbraw/zinc/79/82/89/483798289.db2.gz LLMVXMXBSLIWFS-UHFFFAOYSA-N -1 0 350.780 -0.035 20 0 FBADRM COC(=O)Cc1cccc(S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-])c1 ZINC000290651904 483798990 /nfs/dbraw/zinc/79/89/90/483798990.db2.gz NAKRFPZBEDVAKI-NSHDSACASA-N -1 0 359.356 -0.303 20 0 FBADRM COC(=O)C1(CS(=O)(=O)NCCn2cc(C(=O)[O-])nn2)CCCC1 ZINC000290653515 483799170 /nfs/dbraw/zinc/79/91/70/483799170.db2.gz NCMVASNCOIMXSM-UHFFFAOYSA-N -1 0 360.392 -0.371 20 0 FBADRM CCOC[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000290666142 483799049 /nfs/dbraw/zinc/79/90/49/483799049.db2.gz OJICSGYINZKQDR-NSHDSACASA-N -1 0 351.402 -0.142 20 0 FBADRM COCCn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)n1 ZINC000290674124 483799040 /nfs/dbraw/zinc/79/90/40/483799040.db2.gz PHMUCUAZSCRZCM-UHFFFAOYSA-N -1 0 354.454 -0.447 20 0 FBADRM CCOC[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000290680425 483799191 /nfs/dbraw/zinc/79/91/91/483799191.db2.gz PZJZFXJMRONXIN-JTQLQIEISA-N -1 0 369.392 -0.003 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)NCC[N@@H+]1CCCOCC1 ZINC000290686852 483799061 /nfs/dbraw/zinc/79/90/61/483799061.db2.gz IHPCAQFCFZNNQL-UHFFFAOYSA-N -1 0 360.436 -0.592 20 0 FBADRM CCOC[C@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)[O-] ZINC000290694927 483800075 /nfs/dbraw/zinc/80/00/75/483800075.db2.gz RPHAXZJUKKYWAI-JTQLQIEISA-N -1 0 357.388 -0.355 20 0 FBADRM COC(=O)Cc1cccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c1 ZINC000290695883 483799603 /nfs/dbraw/zinc/79/96/03/483799603.db2.gz RPRKQYHXPCUJID-UHFFFAOYSA-N -1 0 358.372 -0.729 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]c1ccc(N2CCOCC2)cc1C(N)=O ZINC000290704867 483799733 /nfs/dbraw/zinc/79/97/33/483799733.db2.gz SOLKDENEBQIQEV-UHFFFAOYSA-N -1 0 371.415 -0.073 20 0 FBADRM CCOC[C@H](NS(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2)C(=O)[O-] ZINC000290720190 483799563 /nfs/dbraw/zinc/79/95/63/483799563.db2.gz UWIMXCLZRSLYCF-VIFPVBQESA-N -1 0 374.371 -0.206 20 0 FBADRM CCOC[C@H](NS(=O)(=O)c1cccc(C(=O)NCCOC)c1)C(=O)[O-] ZINC000290734807 483800080 /nfs/dbraw/zinc/80/00/80/483800080.db2.gz WNKORXVHYDNTGK-ZDUSSCGKSA-N -1 0 374.415 -0.169 20 0 FBADRM CCOC[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000290736127 483799499 /nfs/dbraw/zinc/79/94/99/483799499.db2.gz WNROLHNIPRPFAW-NSHDSACASA-N -1 0 356.356 -0.320 20 0 FBADRM Cn1cc(S(=O)(=O)N2CC[C@@H]3CC[C@@H](C(=O)[O-])C[C@@H]32)c(=O)n(C)c1=O ZINC000290740357 485326261 /nfs/dbraw/zinc/32/62/61/485326261.db2.gz XCCWFXQJGIERFN-AXFHLTTASA-N -1 0 371.415 -0.652 20 0 FBADRM Cn1cc(S(=O)(=O)N2CC[C@@H]3CC[C@H](C(=O)[O-])C[C@@H]32)c(=O)n(C)c1=O ZINC000290740362 485326943 /nfs/dbraw/zinc/32/69/43/485326943.db2.gz XCCWFXQJGIERFN-DCAQKATOSA-N -1 0 371.415 -0.652 20 0 FBADRM Cn1cc(S(=O)(=O)N2CC[C@@H]3CC[C@H](C(=O)[O-])C[C@H]32)c(=O)n(C)c1=O ZINC000290740365 485326333 /nfs/dbraw/zinc/32/63/33/485326333.db2.gz XCCWFXQJGIERFN-GARJFASQSA-N -1 0 371.415 -0.652 20 0 FBADRM Cn1cc(S(=O)(=O)N2CC[C@@H]3CC[C@@H](C(=O)[O-])C[C@H]32)c(=O)n(C)c1=O ZINC000290740368 485326517 /nfs/dbraw/zinc/32/65/17/485326517.db2.gz XCCWFXQJGIERFN-HBNTYKKESA-N -1 0 371.415 -0.652 20 0 FBADRM CCOC[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)C(=O)[O-] ZINC000290863489 244385949 /nfs/dbraw/zinc/38/59/49/244385949.db2.gz AGRLWISJYQJQOY-SNVBAGLBSA-N -1 0 357.344 -0.191 20 0 FBADRM CCOC[C@@H](NS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000290869332 244388427 /nfs/dbraw/zinc/38/84/27/244388427.db2.gz AUHCBQGVLWIZGV-LLVKDONJSA-N -1 0 351.402 -0.142 20 0 FBADRM CCOC[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000290869415 244385204 /nfs/dbraw/zinc/38/52/04/244385204.db2.gz AUYDBCXHPPKPIN-SECBINFHSA-N -1 0 352.390 -0.747 20 0 FBADRM CCOC[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC)c1)C(=O)[O-] ZINC000290894411 244384847 /nfs/dbraw/zinc/38/48/47/244384847.db2.gz DGEYJXUHTNHIFI-LLVKDONJSA-N -1 0 366.417 -0.637 20 0 FBADRM CCOC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1)C(=O)[O-] ZINC000290897115 244387967 /nfs/dbraw/zinc/38/79/67/244387967.db2.gz DOSNRNANPYADAW-LLVKDONJSA-N -1 0 366.417 -0.637 20 0 FBADRM CCOC[C@@H](NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(=O)[O-] ZINC000290904877 244388024 /nfs/dbraw/zinc/38/80/24/244388024.db2.gz FNAMDJWEZMGKSI-SNVBAGLBSA-N -1 0 369.392 -0.003 20 0 FBADRM CCOC(=O)c1cnccc1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000290906351 244386963 /nfs/dbraw/zinc/38/69/63/244386963.db2.gz GAYDYSCIYIHURM-UHFFFAOYSA-N -1 0 368.371 -0.544 20 0 FBADRM CNS(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000290937443 536311387 /nfs/dbraw/zinc/31/13/87/536311387.db2.gz KVLXUPILCQTXEZ-MRVPVSSYSA-N -1 0 367.424 -0.048 20 0 FBADRM CNS(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000290937445 536311772 /nfs/dbraw/zinc/31/17/72/536311772.db2.gz KVLXUPILCQTXEZ-QMMMGPOBSA-N -1 0 367.424 -0.048 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])CCC1 ZINC000290960868 244389343 /nfs/dbraw/zinc/38/93/43/244389343.db2.gz NLHMQNLVURODRT-LLVKDONJSA-N -1 0 359.404 -0.322 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])CCC1 ZINC000290960871 244392335 /nfs/dbraw/zinc/39/23/35/244392335.db2.gz NLHMQNLVURODRT-NSHDSACASA-N -1 0 359.404 -0.322 20 0 FBADRM CCOC[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000290968642 244392420 /nfs/dbraw/zinc/39/24/20/244392420.db2.gz OJICSGYINZKQDR-LLVKDONJSA-N -1 0 351.402 -0.142 20 0 FBADRM CCOC[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000290980033 244392308 /nfs/dbraw/zinc/39/23/08/244392308.db2.gz PZJZFXJMRONXIN-SNVBAGLBSA-N -1 0 369.392 -0.003 20 0 FBADRM CCOC[C@@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)[O-] ZINC000290990423 244390316 /nfs/dbraw/zinc/39/03/16/244390316.db2.gz RPHAXZJUKKYWAI-SNVBAGLBSA-N -1 0 357.388 -0.355 20 0 FBADRM CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(N(C)C)nc2)n1 ZINC000291007996 244389690 /nfs/dbraw/zinc/38/96/90/244389690.db2.gz VWSVRRDONDTZNN-UHFFFAOYSA-N -1 0 353.408 -0.372 20 0 FBADRM CCOC[C@@H](NS(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2)C(=O)[O-] ZINC000291011003 244390416 /nfs/dbraw/zinc/39/04/16/244390416.db2.gz UWIMXCLZRSLYCF-SECBINFHSA-N -1 0 374.371 -0.206 20 0 FBADRM CCOC[C@@H](NS(=O)(=O)c1cccc(C(=O)NCCOC)c1)C(=O)[O-] ZINC000291025932 244389767 /nfs/dbraw/zinc/38/97/67/244389767.db2.gz WNKORXVHYDNTGK-CYBMUJFWSA-N -1 0 374.415 -0.169 20 0 FBADRM CCOC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000291025956 244389383 /nfs/dbraw/zinc/38/93/83/244389383.db2.gz WNROLHNIPRPFAW-LLVKDONJSA-N -1 0 356.356 -0.320 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000291211118 244396171 /nfs/dbraw/zinc/39/61/71/244396171.db2.gz OBLXXOKSUZCDPZ-UHFFFAOYSA-N -1 0 362.415 -0.239 20 0 FBADRM COCCn1cc(CNC(=O)CNS(=O)(=O)c2c(C)noc2C)cn1 ZINC000291492402 483803413 /nfs/dbraw/zinc/80/34/13/483803413.db2.gz GSTQEXRHSDJGGI-UHFFFAOYSA-N -1 0 371.419 -0.271 20 0 FBADRM Cn1c2cc(O)c(NC(=O)Cn3ccc(=O)n(C)c3=O)cc2n(C)c1=O ZINC000291493263 483803512 /nfs/dbraw/zinc/80/35/12/483803512.db2.gz GZZBJEOBKMSSLU-UHFFFAOYSA-N -1 0 359.342 -0.918 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)NCCS(=O)(=O)N(C)C)c(C)o1 ZINC000291497912 483803826 /nfs/dbraw/zinc/80/38/26/483803826.db2.gz HLTQKHOQIAYPQZ-UHFFFAOYSA-N -1 0 353.422 -0.883 20 0 FBADRM COCCN1CN(C(=O)CNS(=O)(=O)c2ccccc2F)CC1=O ZINC000291500745 483803868 /nfs/dbraw/zinc/80/38/68/483803868.db2.gz HJRXODOCNDXUJF-UHFFFAOYSA-N -1 0 359.379 -0.621 20 0 FBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCS(=O)(=O)N(C)C ZINC000291563543 244404408 /nfs/dbraw/zinc/40/44/08/244404408.db2.gz ODNVOCBQSZOZFJ-UHFFFAOYSA-N -1 0 355.420 -0.810 20 0 FBADRM CN(C)S(=O)(=O)CCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000291566159 483804066 /nfs/dbraw/zinc/80/40/66/483804066.db2.gz ONFHDPFRNWQYHX-UHFFFAOYSA-N -1 0 370.456 -0.307 20 0 FBADRM Cc1cc(C(=O)NCCS(=O)(=O)N(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000291592877 483804254 /nfs/dbraw/zinc/80/42/54/483804254.db2.gz FJOPPFYNNYEUCW-UHFFFAOYSA-N -1 0 355.376 -0.634 20 0 FBADRM COCc1cc(C(=O)OC)cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1 ZINC000291808494 483806839 /nfs/dbraw/zinc/80/68/39/483806839.db2.gz CKCMAFAJABMOQE-PELKAZGASA-N -1 0 361.372 -0.268 20 0 FBADRM COCc1cc(C(=O)OC)cc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c1 ZINC000291809845 483806703 /nfs/dbraw/zinc/80/67/03/483806703.db2.gz CQBCOAKNHXRLKM-GFCCVEGCSA-N -1 0 361.372 -0.267 20 0 FBADRM COCc1cc(C(=O)OC)cc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c1 ZINC000291809848 536704210 /nfs/dbraw/zinc/70/42/10/536704210.db2.gz CQBCOAKNHXRLKM-LBPRGKRZSA-N -1 0 361.372 -0.267 20 0 FBADRM Cn1cc(S(=O)(=O)N2CC[C@@H](CS(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000291810104 483806990 /nfs/dbraw/zinc/80/69/90/483806990.db2.gz BJLCQTOXNSBKLH-SECBINFHSA-N -1 0 350.418 -0.222 20 0 FBADRM Cn1cc(S(=O)(=O)N2CC[C@H](CS(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000291810107 483807006 /nfs/dbraw/zinc/80/70/06/483807006.db2.gz BJLCQTOXNSBKLH-VIFPVBQESA-N -1 0 350.418 -0.222 20 0 FBADRM COCc1cc(C(=O)OC)cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000291819411 536704560 /nfs/dbraw/zinc/70/45/60/536704560.db2.gz CFXBAMUILYAQNM-UHFFFAOYSA-N -1 0 374.371 -0.901 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c(C)cc1F ZINC000291833242 483807156 /nfs/dbraw/zinc/80/71/56/483807156.db2.gz GLVLKHAEUGOTEW-SECBINFHSA-N -1 0 362.335 -0.472 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c(C)cc1F ZINC000291833245 483806799 /nfs/dbraw/zinc/80/67/99/483806799.db2.gz GLVLKHAEUGOTEW-VIFPVBQESA-N -1 0 362.335 -0.472 20 0 FBADRM COCc1cc(C(=O)OC)cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000291842208 483807101 /nfs/dbraw/zinc/80/71/01/483807101.db2.gz HLRQLEGFQKQPPL-LLVKDONJSA-N -1 0 374.371 -0.774 20 0 FBADRM COCc1cc(C(=O)OC)cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000291842212 483806931 /nfs/dbraw/zinc/80/69/31/483806931.db2.gz HLRQLEGFQKQPPL-NSHDSACASA-N -1 0 374.371 -0.774 20 0 FBADRM CCCc1nnc(SCC(=O)Nc2n[nH]c(CC(=O)OC)n2)n1N ZINC000291854922 483807010 /nfs/dbraw/zinc/80/70/10/483807010.db2.gz GIARHLGOLOJRTK-UHFFFAOYSA-N -1 0 354.396 -0.491 20 0 FBADRM CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000291860657 657548989 /nfs/dbraw/zinc/54/89/89/657548989.db2.gz JTSXRIIATFJPOK-GFCCVEGCSA-N -1 0 373.435 -0.313 20 0 FBADRM CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000291860663 657548785 /nfs/dbraw/zinc/54/87/85/657548785.db2.gz JTSXRIIATFJPOK-LBPRGKRZSA-N -1 0 373.435 -0.313 20 0 FBADRM CCOC(=O)c1cc(COC)cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000291868524 483807725 /nfs/dbraw/zinc/80/77/25/483807725.db2.gz LAPQLJFPMSQVTK-LBPRGKRZSA-N -1 0 361.372 -0.267 20 0 FBADRM COCc1cc(C(=O)OC)cc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c1 ZINC000291875609 483807666 /nfs/dbraw/zinc/80/76/66/483807666.db2.gz MAFOZBSXZROLQX-LBPRGKRZSA-N -1 0 361.372 -0.267 20 0 FBADRM COCc1cc(C(=O)OC)cc(S(=O)(=O)N(CCO)CC(=O)[O-])c1 ZINC000291890880 483807430 /nfs/dbraw/zinc/80/74/30/483807430.db2.gz OTXGQMVMJUDPCS-UHFFFAOYSA-N -1 0 361.372 -0.313 20 0 FBADRM COc1cc(/C=C/C(=O)NC[C@H](OC)C(=O)[O-])ccc1OCC(N)=O ZINC000291896427 483807257 /nfs/dbraw/zinc/80/72/57/483807257.db2.gz PQEQOPGQTHTKGB-BPJJOFIESA-N -1 0 352.343 -0.212 20 0 FBADRM COc1cc(/C=C/C(=O)NC[C@@H](OC)C(=O)[O-])ccc1OCC(N)=O ZINC000291896430 483807701 /nfs/dbraw/zinc/80/77/01/483807701.db2.gz PQEQOPGQTHTKGB-DIECRNLCSA-N -1 0 352.343 -0.212 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c(C)cc1F ZINC000291901429 483807745 /nfs/dbraw/zinc/80/77/45/483807745.db2.gz KVXGHSFPNANGBR-UHFFFAOYSA-N -1 0 362.335 -0.600 20 0 FBADRM Cc1c(S(=O)(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)cnn1C ZINC000291909263 483807581 /nfs/dbraw/zinc/80/75/81/483807581.db2.gz SBGWIISEEPRFQW-LLVKDONJSA-N -1 0 370.431 -0.185 20 0 FBADRM Cc1c(S(=O)(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)cnn1C ZINC000291909265 483807371 /nfs/dbraw/zinc/80/73/71/483807371.db2.gz SBGWIISEEPRFQW-NSHDSACASA-N -1 0 370.431 -0.185 20 0 FBADRM Cc1c(S(=O)(=O)[N-]c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cnn1C ZINC000291910637 483807572 /nfs/dbraw/zinc/80/75/72/483807572.db2.gz SGJDZZVDZBUULB-UHFFFAOYSA-N -1 0 364.387 -0.525 20 0 FBADRM COCc1cc(C(=O)OC)cc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000291919385 657551553 /nfs/dbraw/zinc/55/15/53/657551553.db2.gz UPAQCKQAJDNICM-DGCLKSJQSA-N -1 0 373.383 -0.172 20 0 FBADRM COCc1cc(C(=O)OC)cc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000291919389 657551212 /nfs/dbraw/zinc/55/12/12/657551212.db2.gz UPAQCKQAJDNICM-YPMHNXCESA-N -1 0 373.383 -0.172 20 0 FBADRM Cc1c(S(=O)(=O)[N-]c2ccc(N3CCNC(=O)C3)nc2)cnn1C ZINC000291919533 483808107 /nfs/dbraw/zinc/80/81/07/483808107.db2.gz URIDHXAUPZCHCD-UHFFFAOYSA-N -1 0 350.404 -0.139 20 0 FBADRM CNS(=O)(=O)c1cc(/C=C/C(=O)NC[C@@H](OC)C(=O)[O-])ccc1OC ZINC000291923863 536311395 /nfs/dbraw/zinc/31/13/95/536311395.db2.gz VIMPIYWPPPXVSX-HOSRBBHYSA-N -1 0 372.399 -0.168 20 0 FBADRM CNS(=O)(=O)c1cc(/C=C/C(=O)NC[C@H](OC)C(=O)[O-])ccc1OC ZINC000291923864 483808197 /nfs/dbraw/zinc/80/81/97/483808197.db2.gz VIMPIYWPPPXVSX-PZBABLGHSA-N -1 0 372.399 -0.168 20 0 FBADRM CCOC(=O)c1cc(COC)cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000291937602 483807981 /nfs/dbraw/zinc/80/79/81/483807981.db2.gz XQGHFHGMASFLAN-GFCCVEGCSA-N -1 0 361.372 -0.267 20 0 FBADRM CCOC(=O)c1cc(COC)cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000291937604 483808204 /nfs/dbraw/zinc/80/82/04/483808204.db2.gz XQGHFHGMASFLAN-LBPRGKRZSA-N -1 0 361.372 -0.267 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2cnc(C)c(C(=O)OC)c2)cn1 ZINC000291938236 536310323 /nfs/dbraw/zinc/31/03/23/536310323.db2.gz PGXMZQVGDDTZHM-UHFFFAOYSA-N -1 0 367.387 -0.080 20 0 FBADRM CC(=O)N1c2ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc2C[C@H]1C ZINC000291945235 244412118 /nfs/dbraw/zinc/41/21/18/244412118.db2.gz PTSNPIBMKOCLPF-SECBINFHSA-N -1 0 369.399 -0.537 20 0 FBADRM CC(=O)N1c2ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc2C[C@@H]1C ZINC000291945245 483808159 /nfs/dbraw/zinc/80/81/59/483808159.db2.gz PTSNPIBMKOCLPF-VIFPVBQESA-N -1 0 369.399 -0.537 20 0 FBADRM COC(=O)[C@@H](CNS(=O)(=O)c1cc(CC(=O)[O-])ccc1OC)OC ZINC000291954216 244413926 /nfs/dbraw/zinc/41/39/26/244413926.db2.gz QVHZQTZQTCYIRK-LLVKDONJSA-N -1 0 361.372 -0.211 20 0 FBADRM COC(=O)[C@H](CNS(=O)(=O)c1cc(CC(=O)[O-])ccc1OC)OC ZINC000291954217 483807840 /nfs/dbraw/zinc/80/78/40/483807840.db2.gz QVHZQTZQTCYIRK-NSHDSACASA-N -1 0 361.372 -0.211 20 0 FBADRM COC(=O)[C@@H](CNS(=O)(=O)c1ccc(OC)c(CC(=O)[O-])c1)OC ZINC000291973323 483808174 /nfs/dbraw/zinc/80/81/74/483808174.db2.gz UBIWTOFITUZFJX-GFCCVEGCSA-N -1 0 361.372 -0.211 20 0 FBADRM COC(=O)[C@H](CNS(=O)(=O)c1ccc(OC)c(CC(=O)[O-])c1)OC ZINC000291973325 483808155 /nfs/dbraw/zinc/80/81/55/483808155.db2.gz UBIWTOFITUZFJX-LBPRGKRZSA-N -1 0 361.372 -0.211 20 0 FBADRM CN(C)S(=O)(=O)CCNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000291982840 483808554 /nfs/dbraw/zinc/80/85/54/483808554.db2.gz JYKDFQZLUMXGFZ-UHFFFAOYSA-N -1 0 367.424 -0.182 20 0 FBADRM COCCCO[N-]C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000292104811 244415780 /nfs/dbraw/zinc/41/57/80/244415780.db2.gz SETCQOFVVLTJRY-UHFFFAOYSA-N -1 0 364.402 -0.359 20 0 FBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC000292300882 483809780 /nfs/dbraw/zinc/80/97/80/483809780.db2.gz AKMKGYNPOPPQBC-GFCCVEGCSA-N -1 0 370.383 -0.572 20 0 FBADRM O=C([O-])[C@H](CO)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC000292300885 483809755 /nfs/dbraw/zinc/80/97/55/483809755.db2.gz AKMKGYNPOPPQBC-LBPRGKRZSA-N -1 0 370.383 -0.572 20 0 FBADRM COCc1cc(C(=O)OC)cc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000292402031 483810105 /nfs/dbraw/zinc/81/01/05/483810105.db2.gz TUTWWYYLKWQNSX-UHFFFAOYSA-N -1 0 371.371 -0.183 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000292483081 485330207 /nfs/dbraw/zinc/33/02/07/485330207.db2.gz QWOFRCFIEJEHFS-ZJUUUORDSA-N -1 0 359.404 -0.604 20 0 FBADRM CO[C@H]1COC[C@@H]1NC(=O)c1ccc2c(c1)S(=O)(=O)[N-]c1ncnn1-2 ZINC000292492354 483810575 /nfs/dbraw/zinc/81/05/75/483810575.db2.gz JDXIDTDKZHVKCY-ONGXEEELSA-N -1 0 365.371 -0.475 20 0 FBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC000292554671 244423579 /nfs/dbraw/zinc/42/35/79/244423579.db2.gz XLDWRHSSXAEWOZ-LBPRGKRZSA-N -1 0 370.383 -0.572 20 0 FBADRM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c1 ZINC000292649849 536704877 /nfs/dbraw/zinc/70/48/77/536704877.db2.gz QDAUIUYWWXOFPE-UHFFFAOYSA-N -1 0 371.371 -0.293 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)C=C([O-])c2cnn(C)n2)cc1 ZINC000292693241 244425888 /nfs/dbraw/zinc/42/58/88/244425888.db2.gz GDYLWBDDFBIFGP-UHFFFAOYSA-N -1 0 372.428 -0.278 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000292752881 483812495 /nfs/dbraw/zinc/81/24/95/483812495.db2.gz FPYFLAPXDQURTF-UHFFFAOYSA-N -1 0 365.770 0.000 20 0 FBADRM CCOC(=O)Nc1scnc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000292779031 483812356 /nfs/dbraw/zinc/81/23/56/483812356.db2.gz GWMGYMILEXFFHU-UHFFFAOYSA-N -1 0 364.405 -0.093 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc2c(c1)SCC(=O)N2 ZINC000292821384 244427293 /nfs/dbraw/zinc/42/72/93/244427293.db2.gz IYQYGWDRRKMTSW-UHFFFAOYSA-N -1 0 357.413 -0.074 20 0 FBADRM Cn1ncc(CCCNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)n1 ZINC000292837370 483812196 /nfs/dbraw/zinc/81/21/96/483812196.db2.gz PGSUQXVUVIXXBX-UHFFFAOYSA-N -1 0 365.375 -0.524 20 0 FBADRM CCNC(=O)[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(C)C ZINC000292895086 483813075 /nfs/dbraw/zinc/81/30/75/483813075.db2.gz ZXXNVDGPGSKLCN-JTQLQIEISA-N -1 0 369.403 -0.125 20 0 FBADRM Cc1cc(C(F)(F)F)nn1CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000292991576 483813378 /nfs/dbraw/zinc/81/33/78/483813378.db2.gz SHFBJQLEMRHWQH-UHFFFAOYSA-N -1 0 356.326 -0.208 20 0 FBADRM O=c1nc([C@@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)C2)[nH][n-]1 ZINC000292994189 483813464 /nfs/dbraw/zinc/81/34/64/483813464.db2.gz GEWPHFQHWQDPFH-MRVPVSSYSA-N -1 0 364.387 -0.164 20 0 FBADRM O=c1nc([C@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)C2)[nH][n-]1 ZINC000292994199 483813160 /nfs/dbraw/zinc/81/31/60/483813160.db2.gz GEWPHFQHWQDPFH-QMMMGPOBSA-N -1 0 364.387 -0.164 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NC[C@H]3CC[C@@H](CO)O3)cc-2c(=O)[n-]1 ZINC000293012049 483813448 /nfs/dbraw/zinc/81/34/48/483813448.db2.gz OVCQDIOVBOYSPS-SFYZADRCSA-N -1 0 356.360 -0.746 20 0 FBADRM C[C@H](O)[C@H]([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)C(=O)OCc1ccccc1 ZINC000293029619 483813288 /nfs/dbraw/zinc/81/32/88/483813288.db2.gz QFDZIFCURXEVNS-OBJOEFQTSA-N -1 0 372.443 -0.125 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@H](C(=O)OCc1ccccc1)[C@H](C)O ZINC000293029623 483813167 /nfs/dbraw/zinc/81/31/67/483813167.db2.gz QFDZIFCURXEVNS-SCRDCRAPSA-N -1 0 372.443 -0.125 20 0 FBADRM COCCn1cc(S(=O)(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cn1 ZINC000293078900 483814277 /nfs/dbraw/zinc/81/42/77/483814277.db2.gz MJPAPHOKLKITRC-JTQLQIEISA-N -1 0 356.408 -0.491 20 0 FBADRM COCCn1cc(S(=O)(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cn1 ZINC000293078904 483814149 /nfs/dbraw/zinc/81/41/49/483814149.db2.gz MJPAPHOKLKITRC-SNVBAGLBSA-N -1 0 356.408 -0.491 20 0 FBADRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(=O)Nc1ncn(C)n1 ZINC000293082506 483813897 /nfs/dbraw/zinc/81/38/97/483813897.db2.gz ABNSSSHVCAQWRB-HTQZYQBOSA-N -1 0 362.312 -0.188 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c[nH]1 ZINC000293082788 483813885 /nfs/dbraw/zinc/81/38/85/483813885.db2.gz MMOSKCUYOLMSCX-MRVPVSSYSA-N -1 0 355.376 -0.219 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c[nH]1 ZINC000293082791 483814287 /nfs/dbraw/zinc/81/42/87/483814287.db2.gz MMOSKCUYOLMSCX-QMMMGPOBSA-N -1 0 355.376 -0.219 20 0 FBADRM NC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000293131317 483814586 /nfs/dbraw/zinc/81/45/86/483814586.db2.gz PSXJNSHPLIQEDL-JTQLQIEISA-N -1 0 351.388 -0.235 20 0 FBADRM NC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000293131319 483814678 /nfs/dbraw/zinc/81/46/78/483814678.db2.gz PSXJNSHPLIQEDL-SNVBAGLBSA-N -1 0 351.388 -0.235 20 0 FBADRM CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)[N-]OCC(N)=O ZINC000293360506 483816173 /nfs/dbraw/zinc/81/61/73/483816173.db2.gz COBVZWYUQHCDDL-KRWDZBQOSA-N -1 0 360.370 -0.091 20 0 FBADRM CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)[N-]OCC(N)=O ZINC000293360510 483816134 /nfs/dbraw/zinc/81/61/34/483816134.db2.gz COBVZWYUQHCDDL-QGZVFWFLSA-N -1 0 360.370 -0.091 20 0 FBADRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000293430361 244441404 /nfs/dbraw/zinc/44/14/04/244441404.db2.gz VSSXCHWSYUWCGP-SECBINFHSA-N -1 0 363.374 -0.335 20 0 FBADRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000293430366 244444414 /nfs/dbraw/zinc/44/44/14/244444414.db2.gz VSSXCHWSYUWCGP-VIFPVBQESA-N -1 0 363.374 -0.335 20 0 FBADRM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)[N-]OCC1CC1)CC2 ZINC000293462948 483816496 /nfs/dbraw/zinc/81/64/96/483816496.db2.gz SWUBHNHZWWSQBB-UHFFFAOYSA-N -1 0 353.400 -0.058 20 0 FBADRM C[C@H](O)[C@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C(=O)OCc1ccccc1 ZINC000293711391 483817705 /nfs/dbraw/zinc/81/77/05/483817705.db2.gz BBZZWVZUHZARDN-CABZTGNLSA-N -1 0 366.399 -0.201 20 0 FBADRM COC(=O)[C@@H](CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)OC ZINC000293920914 483818602 /nfs/dbraw/zinc/81/86/02/483818602.db2.gz GZMAGINKFLPSJJ-LLVKDONJSA-N -1 0 351.384 -0.011 20 0 FBADRM COC(=O)[C@H](CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)OC ZINC000293920919 483818596 /nfs/dbraw/zinc/81/85/96/483818596.db2.gz GZMAGINKFLPSJJ-NSHDSACASA-N -1 0 351.384 -0.011 20 0 FBADRM CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(S(=O)(=O)NC)nc3)[C@H]2C1 ZINC000293992281 483819115 /nfs/dbraw/zinc/81/91/15/483819115.db2.gz WMTXOGCVZMJPNQ-UONOGXRCSA-N -1 0 368.459 -0.075 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cn(CC)nc1C(N)=O ZINC000294090497 483819775 /nfs/dbraw/zinc/81/97/75/483819775.db2.gz BAKKATZBTJHRGY-UHFFFAOYSA-N -1 0 356.364 -0.298 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)C(=O)[O-] ZINC000294152402 485332754 /nfs/dbraw/zinc/33/27/54/485332754.db2.gz ACKZGDGWKLJCIL-GFCCVEGCSA-N -1 0 370.383 -0.110 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)Cc1cccc(C(=O)OC)c1)C(=O)[O-] ZINC000294173569 485333502 /nfs/dbraw/zinc/33/35/02/485333502.db2.gz AYTXQPUMOZAMHD-LLVKDONJSA-N -1 0 359.356 -0.091 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000294211307 484061820 /nfs/dbraw/zinc/06/18/20/484061820.db2.gz CRBJMKPDZRJGTK-SNVBAGLBSA-N -1 0 365.385 -0.615 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2)C(=O)[O-] ZINC000294252667 536312742 /nfs/dbraw/zinc/31/27/42/536312742.db2.gz FLWNYRLEYYYCIP-GFCCVEGCSA-N -1 0 370.383 -0.110 20 0 FBADRM O=C(C(=O)N1CCN(C(=O)c2cc(O)ccc2F)CC1)N1CCOCC1 ZINC000294280516 483820856 /nfs/dbraw/zinc/82/08/56/483820856.db2.gz FGHSFYXFJNSUFW-UHFFFAOYSA-N -1 0 365.361 -0.326 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCC[C@H](CO)CC3)cnc21 ZINC000294386948 483836358 /nfs/dbraw/zinc/83/63/58/483836358.db2.gz BUKKGFADUGFWAZ-JTQLQIEISA-N -1 0 368.415 -0.183 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCC[C@@H](CO)CC3)cnc21 ZINC000294386951 483836754 /nfs/dbraw/zinc/83/67/54/483836754.db2.gz BUKKGFADUGFWAZ-SNVBAGLBSA-N -1 0 368.415 -0.183 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCCCCS(N)(=O)=O ZINC000294430630 483821661 /nfs/dbraw/zinc/82/16/61/483821661.db2.gz OSWHXKZPBOOYCK-UHFFFAOYSA-N -1 0 367.424 -0.004 20 0 FBADRM CCOc1ccc(S(=O)(=O)NCCC(=O)NCCOCC(=O)[O-])cc1 ZINC000294493396 483822029 /nfs/dbraw/zinc/82/20/29/483822029.db2.gz UCFHUNPUJGCURQ-UHFFFAOYSA-N -1 0 374.415 -0.029 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1)C(=O)[O-] ZINC000294508290 485333963 /nfs/dbraw/zinc/33/39/63/485333963.db2.gz RRHNHNJYKYTBAJ-SECBINFHSA-N -1 0 360.344 -0.911 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)Cc1ccc(C(=O)OC)cc1)C(=O)[O-] ZINC000294511602 485333659 /nfs/dbraw/zinc/33/36/59/485333659.db2.gz RTZCFEUKXYWVMT-LLVKDONJSA-N -1 0 359.356 -0.091 20 0 FBADRM Cc1ccc(-n2[n-]c(C(=O)NCCNS(=O)(=O)N(C)C)cc2=O)cc1 ZINC000294534486 483822201 /nfs/dbraw/zinc/82/22/01/483822201.db2.gz VMVXWYYAKWIEAC-UHFFFAOYSA-N -1 0 367.431 -0.400 20 0 FBADRM COCCN(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000294668971 483822580 /nfs/dbraw/zinc/82/25/80/483822580.db2.gz LJZRIIAXZHNRGW-UHFFFAOYSA-N -1 0 368.481 -0.150 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCC(c3nc(=O)[n-][nH]3)CC2)c[nH]1 ZINC000294680474 483822496 /nfs/dbraw/zinc/82/24/96/483822496.db2.gz SNXZXQBDTUSERQ-UHFFFAOYSA-N -1 0 355.376 -0.219 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CCC(c3nc(=O)[n-][nH]3)CC2)cn1C ZINC000294685158 244471155 /nfs/dbraw/zinc/47/11/55/244471155.db2.gz SUWJKCJMJDPQHR-UHFFFAOYSA-N -1 0 368.419 -0.636 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000294692435 483822907 /nfs/dbraw/zinc/82/29/07/483822907.db2.gz UAUMCOVGXGUOFQ-UHFFFAOYSA-N -1 0 370.391 -0.434 20 0 FBADRM Cn1ncc(C(=O)[N-]N2CC(=O)N(C)C2=O)c1I ZINC000294720493 483822948 /nfs/dbraw/zinc/82/29/48/483822948.db2.gz XBWLQTPSGLOTQO-UHFFFAOYSA-N -1 0 363.115 -0.437 20 0 FBADRM CCOCCNS(=O)(=O)CCCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000294737899 483822926 /nfs/dbraw/zinc/82/29/26/483822926.db2.gz PEDNWZOBBXMSMG-UHFFFAOYSA-N -1 0 368.481 -0.102 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)N2CCC(c3nc(=O)[n-][nH]3)CC2)cc1 ZINC000294743832 483823037 /nfs/dbraw/zinc/82/30/37/483823037.db2.gz XBNYEAHYTZUUPJ-UHFFFAOYSA-N -1 0 351.388 -0.235 20 0 FBADRM COCCCNS(=O)(=O)CCCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000294768111 483823061 /nfs/dbraw/zinc/82/30/61/483823061.db2.gz RHRMQCVXKSOXJI-UHFFFAOYSA-N -1 0 368.481 -0.102 20 0 FBADRM NC(=O)c1cccc(S(=O)(=O)N2CCC(c3nc(=O)[n-][nH]3)CC2)c1 ZINC000294771809 483823158 /nfs/dbraw/zinc/82/31/58/483823158.db2.gz ZFKVBCZXDSOBFH-UHFFFAOYSA-N -1 0 351.388 -0.235 20 0 FBADRM O=c1nc(C2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)[nH][n-]1 ZINC000294775615 483823402 /nfs/dbraw/zinc/82/34/02/483823402.db2.gz ZOKLWXQMCMPBIF-UHFFFAOYSA-N -1 0 364.387 -0.164 20 0 FBADRM O=C([O-])c1ccc(CC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000294900827 483823500 /nfs/dbraw/zinc/82/35/00/483823500.db2.gz HHDAQGOMFANNOC-UHFFFAOYSA-N -1 0 359.382 -0.123 20 0 FBADRM CC(C)C(=O)Nc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)ccn1 ZINC000294941535 483823614 /nfs/dbraw/zinc/82/36/14/483823614.db2.gz PNDXHMRJCANNAJ-UHFFFAOYSA-N -1 0 356.404 -0.128 20 0 FBADRM Cc1nc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)ccc1C(=O)[O-] ZINC000295013792 483823992 /nfs/dbraw/zinc/82/39/92/483823992.db2.gz YBKCGELYRNQANV-UHFFFAOYSA-N -1 0 374.397 -0.005 20 0 FBADRM COc1ccc(C(=O)CN2[C@H](C)C(=O)N(C)S2(=O)=O)c2occ([O-])c21 ZINC000295132859 483823962 /nfs/dbraw/zinc/82/39/62/483823962.db2.gz COCCXRXJQFMCNA-MRVPVSSYSA-N -1 0 368.367 -0.140 20 0 FBADRM COc1ccc(C(=O)CN2[C@@H](C)C(=O)N(C)S2(=O)=O)c2occ([O-])c21 ZINC000295132860 483823925 /nfs/dbraw/zinc/82/39/25/483823925.db2.gz COCCXRXJQFMCNA-QMMMGPOBSA-N -1 0 368.367 -0.140 20 0 FBADRM CN(CCOCCO)C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O ZINC000295173660 483824707 /nfs/dbraw/zinc/82/47/07/483824707.db2.gz ATSFTSKOYPWECO-UHFFFAOYSA-N -1 0 351.334 -0.045 20 0 FBADRM CC[C@H](CNS(C)(=O)=O)NS(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000295178557 483824686 /nfs/dbraw/zinc/82/46/86/483824686.db2.gz ADCPSFIOEIEHEH-MRVPVSSYSA-N -1 0 370.478 -0.292 20 0 FBADRM CC[C@@H](CNS(C)(=O)=O)NS(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000295178559 483824648 /nfs/dbraw/zinc/82/46/48/483824648.db2.gz ADCPSFIOEIEHEH-QMMMGPOBSA-N -1 0 370.478 -0.292 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(C)(C)c2ccccn2)c(=O)n(C)c1=O ZINC000295186130 483824421 /nfs/dbraw/zinc/82/44/21/483824421.db2.gz CLOJXXAXIOOMKA-UHFFFAOYSA-N -1 0 352.416 -0.265 20 0 FBADRM O=S(=O)(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1CCOC[C@H](O)C1 ZINC000295232336 483824412 /nfs/dbraw/zinc/82/44/12/483824412.db2.gz IMMGPQLUDBKMCK-MRVPVSSYSA-N -1 0 359.795 -0.098 20 0 FBADRM O=S(=O)(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1CCOC[C@@H](O)C1 ZINC000295232339 483824537 /nfs/dbraw/zinc/82/45/37/483824537.db2.gz IMMGPQLUDBKMCK-QMMMGPOBSA-N -1 0 359.795 -0.098 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CC[C@@H](OC(=O)N(C)C)C1 ZINC000295350925 483825120 /nfs/dbraw/zinc/82/51/20/483825120.db2.gz FETSKHLFUKRZTQ-LLVKDONJSA-N -1 0 374.419 -0.131 20 0 FBADRM COc1ccc(NC(=O)NC(=O)CN2[C@H](C)C(=O)N(C)S2(=O)=O)cc1 ZINC000295352498 483824935 /nfs/dbraw/zinc/82/49/35/483824935.db2.gz NXKRWMLXFQADSN-SECBINFHSA-N -1 0 370.387 -0.249 20 0 FBADRM COc1ccc(NC(=O)NC(=O)CN2[C@@H](C)C(=O)N(C)S2(=O)=O)cc1 ZINC000295352501 483825251 /nfs/dbraw/zinc/82/52/51/483825251.db2.gz NXKRWMLXFQADSN-VIFPVBQESA-N -1 0 370.387 -0.249 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CC[C@H](OC(=O)N(C)C)C1 ZINC000295352861 483825043 /nfs/dbraw/zinc/82/50/43/483825043.db2.gz FETSKHLFUKRZTQ-NSHDSACASA-N -1 0 374.419 -0.131 20 0 FBADRM C[C@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)NCCOc1cccc(F)c1 ZINC000295360379 483824946 /nfs/dbraw/zinc/82/49/46/483824946.db2.gz OLCHCXLZYJXNIZ-JTQLQIEISA-N -1 0 359.379 -0.272 20 0 FBADRM C[C@@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)NCCOc1cccc(F)c1 ZINC000295360381 483824895 /nfs/dbraw/zinc/82/48/95/483824895.db2.gz OLCHCXLZYJXNIZ-SNVBAGLBSA-N -1 0 359.379 -0.272 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@H]3CCOC3(C)C)cnc21 ZINC000295388582 483825016 /nfs/dbraw/zinc/82/50/16/483825016.db2.gz UMJNRBJVXWVILD-JTQLQIEISA-N -1 0 354.388 -0.120 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@@H]3CCOC3(C)C)cnc21 ZINC000295388584 483825134 /nfs/dbraw/zinc/82/51/34/483825134.db2.gz UMJNRBJVXWVILD-SNVBAGLBSA-N -1 0 354.388 -0.120 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c(F)cc1C ZINC000295392986 483825025 /nfs/dbraw/zinc/82/50/25/483825025.db2.gz VGJCFRMVQDGQQD-UHFFFAOYSA-N -1 0 362.335 -0.600 20 0 FBADRM CCOC(=O)C(C)(C)O[N-]C(=O)CNS(=O)(=O)c1c(C)noc1C ZINC000295518743 483825472 /nfs/dbraw/zinc/82/54/72/483825472.db2.gz IJKQRUOKJZTMFG-UHFFFAOYSA-N -1 0 363.392 -0.041 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)C(=O)[O-] ZINC000295559529 483905050 /nfs/dbraw/zinc/90/50/50/483905050.db2.gz SZPMFSWRJKKECS-JTQLQIEISA-N -1 0 356.356 -0.500 20 0 FBADRM CN(C)S(=O)(=O)NCC[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000295846959 483826915 /nfs/dbraw/zinc/82/69/15/483826915.db2.gz DJUCRDKLWREGLS-UHFFFAOYSA-N -1 0 361.367 -0.222 20 0 FBADRM COCCn1cc(N2C[C@H](C(=O)NOCCCC(=O)OC)CC2=O)cn1 ZINC000296004467 483827435 /nfs/dbraw/zinc/82/74/35/483827435.db2.gz KVQMHCAQOZEGIY-GFCCVEGCSA-N -1 0 368.390 -0.117 20 0 FBADRM COCCn1cc(N2C[C@@H](C(=O)NOCCCC(=O)OC)CC2=O)cn1 ZINC000296004469 483827467 /nfs/dbraw/zinc/82/74/67/483827467.db2.gz KVQMHCAQOZEGIY-LBPRGKRZSA-N -1 0 368.390 -0.117 20 0 FBADRM CCOc1ccncc1S(=O)(=O)NCCNS(=O)(=O)N(C)C ZINC000296043699 483827449 /nfs/dbraw/zinc/82/74/49/483827449.db2.gz ODJJLWNLHLWNSH-UHFFFAOYSA-N -1 0 352.438 -0.845 20 0 FBADRM COC(=O)CCCONC(=O)[C@@H]1C(C)[C@H]1C(=O)NOCCCC(=O)OC ZINC000296056629 483827474 /nfs/dbraw/zinc/82/74/74/483827474.db2.gz NYNHBGMFUNOOKV-ZIAGYGMSSA-N -1 0 374.390 -0.130 20 0 FBADRM NS(=O)(=O)CCOCC[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000296121716 483827953 /nfs/dbraw/zinc/82/79/53/483827953.db2.gz RYFKQFYIEDMENB-UHFFFAOYSA-N -1 0 362.351 -0.313 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1CC(=O)N(C)C1=O ZINC000296254436 483828601 /nfs/dbraw/zinc/82/86/01/483828601.db2.gz YBQZRGUXNXAUKM-BQBZGAKWSA-N -1 0 360.310 -0.453 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1CC(=O)N(C)C1=O ZINC000296254448 483828658 /nfs/dbraw/zinc/82/86/58/483828658.db2.gz YBQZRGUXNXAUKM-NKWVEPMBSA-N -1 0 360.310 -0.453 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CC(=O)N(C)C1=O ZINC000296254455 483828519 /nfs/dbraw/zinc/82/85/19/483828519.db2.gz YBQZRGUXNXAUKM-RNFRBKRXSA-N -1 0 360.310 -0.453 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CC(=O)N(C)C1=O ZINC000296254462 483828503 /nfs/dbraw/zinc/82/85/03/483828503.db2.gz YBQZRGUXNXAUKM-RQJHMYQMSA-N -1 0 360.310 -0.453 20 0 FBADRM CCOC(=O)c1ccc(CS(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1 ZINC000296779138 483829537 /nfs/dbraw/zinc/82/95/37/483829537.db2.gz ACSPQURHADYNRK-UHFFFAOYSA-N -1 0 372.399 -0.126 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c(F)cc1C ZINC000296807080 483830311 /nfs/dbraw/zinc/83/03/11/483830311.db2.gz BXKFMPYKTMXZPB-SECBINFHSA-N -1 0 362.335 -0.472 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c(F)cc1C ZINC000296807085 244496347 /nfs/dbraw/zinc/49/63/47/244496347.db2.gz BXKFMPYKTMXZPB-VIFPVBQESA-N -1 0 362.335 -0.472 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)N[C@H](CC(=O)OC)C(=O)[O-])cn1C ZINC000296827156 483830237 /nfs/dbraw/zinc/83/02/37/483830237.db2.gz AYPJLPGUISZCTH-SECBINFHSA-N -1 0 362.360 -0.504 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]CCN1C(=O)CCC1=O ZINC000296869857 483829941 /nfs/dbraw/zinc/82/99/41/483829941.db2.gz UPZRHBRRPYHXLT-MRVPVSSYSA-N -1 0 374.337 -0.061 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CCN1C(=O)CCC1=O ZINC000296869861 483829873 /nfs/dbraw/zinc/82/98/73/483829873.db2.gz UPZRHBRRPYHXLT-QMMMGPOBSA-N -1 0 374.337 -0.061 20 0 FBADRM CCOC(=O)COCCNC(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000296947731 483830600 /nfs/dbraw/zinc/83/06/00/483830600.db2.gz ORDRHQNOVWBWCA-UHFFFAOYSA-N -1 0 363.370 -0.224 20 0 FBADRM O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCc1nnc2n1CCC2 ZINC000296978056 483830693 /nfs/dbraw/zinc/83/06/93/483830693.db2.gz OZJNWOCMUDCDHI-UHFFFAOYSA-N -1 0 354.370 -0.066 20 0 FBADRM CCC[C@H]1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C(=O)[O-] ZINC000296995204 244501566 /nfs/dbraw/zinc/50/15/66/244501566.db2.gz QOEFCNSPLDPDKZ-GXSJLCMTSA-N -1 0 359.404 -0.652 20 0 FBADRM CCC[C@@H]1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C(=O)[O-] ZINC000296995211 483830725 /nfs/dbraw/zinc/83/07/25/483830725.db2.gz QOEFCNSPLDPDKZ-KOLCDFICSA-N -1 0 359.404 -0.652 20 0 FBADRM CCC[C@@H]1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C(=O)[O-] ZINC000296995218 483830575 /nfs/dbraw/zinc/83/05/75/483830575.db2.gz QOEFCNSPLDPDKZ-MWLCHTKSSA-N -1 0 359.404 -0.652 20 0 FBADRM CCC[C@H]1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C(=O)[O-] ZINC000296995222 244502423 /nfs/dbraw/zinc/50/24/23/244502423.db2.gz QOEFCNSPLDPDKZ-ONGXEEELSA-N -1 0 359.404 -0.652 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000297065873 483831028 /nfs/dbraw/zinc/83/10/28/483831028.db2.gz WOEZMWSYERZLPN-UHFFFAOYSA-N -1 0 362.751 -0.255 20 0 FBADRM NC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-] ZINC000297068197 483831049 /nfs/dbraw/zinc/83/10/49/483831049.db2.gz WPIDLJYESMNROD-LURJTMIESA-N -1 0 362.751 -0.127 20 0 FBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-] ZINC000297068204 483831122 /nfs/dbraw/zinc/83/11/22/483831122.db2.gz WPIDLJYESMNROD-ZCFIWIBFSA-N -1 0 362.751 -0.127 20 0 FBADRM O=C(N[C@@H]1COC[C@H]1O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000297087097 483831285 /nfs/dbraw/zinc/83/12/85/483831285.db2.gz WJADZRLPQFZBTH-TZMCWYRMSA-N -1 0 356.400 -0.334 20 0 FBADRM NS(=O)(=O)CCOCCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000297099231 483830990 /nfs/dbraw/zinc/83/09/90/483830990.db2.gz NGYAPMMSVPJYQV-UHFFFAOYSA-N -1 0 372.378 -0.248 20 0 FBADRM O=C([O-])C1(CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000297125124 483831053 /nfs/dbraw/zinc/83/10/53/483831053.db2.gz GULMANPQEVCFAP-UHFFFAOYSA-N -1 0 362.429 -0.251 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)cs1)C(=O)[O-] ZINC000297125239 483831265 /nfs/dbraw/zinc/83/12/65/483831265.db2.gz GXYVKHRXKKSYCE-SSDOTTSWSA-N -1 0 351.358 -0.171 20 0 FBADRM CN(C)S(=O)(=O)NCCNC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000297162219 483831018 /nfs/dbraw/zinc/83/10/18/483831018.db2.gz SKTTYHNJUBEJSH-UHFFFAOYSA-N -1 0 371.394 -0.157 20 0 FBADRM NS(=O)(=O)CCOCCNC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000297162329 483831047 /nfs/dbraw/zinc/83/10/47/483831047.db2.gz SOBYDMLWSHRASR-UHFFFAOYSA-N -1 0 354.388 -0.387 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1F)C(=O)[O-] ZINC000297164140 483830998 /nfs/dbraw/zinc/83/09/98/483830998.db2.gz JXWZRNUKIZOKLN-SECBINFHSA-N -1 0 363.319 -0.093 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000297164325 244501529 /nfs/dbraw/zinc/50/15/29/244501529.db2.gz JZMZZEQVKLGCJI-JTQLQIEISA-N -1 0 373.431 -0.405 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000297164329 483909714 /nfs/dbraw/zinc/90/97/14/483909714.db2.gz JZMZZEQVKLGCJI-SNVBAGLBSA-N -1 0 373.431 -0.405 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1csc(C(=O)OC)c1)C(=O)[O-] ZINC000297172447 483831622 /nfs/dbraw/zinc/83/16/22/483831622.db2.gz KPSOVDXZRFSOOR-SSDOTTSWSA-N -1 0 351.358 -0.171 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)s1)C(=O)[O-] ZINC000297213550 483831727 /nfs/dbraw/zinc/83/17/27/483831727.db2.gz NNDPVKUKECCAPB-ZCFIWIBFSA-N -1 0 351.358 -0.171 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000297218467 483831480 /nfs/dbraw/zinc/83/14/80/483831480.db2.gz NXIFTZBXIYOPDO-SNVBAGLBSA-N -1 0 370.339 -0.793 20 0 FBADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)NCC2(C(=O)[O-])CC2)cn1C ZINC000297232121 244506921 /nfs/dbraw/zinc/50/69/21/244506921.db2.gz PAYBWTGSOXQBAJ-UHFFFAOYSA-N -1 0 358.372 -0.086 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)[N-]OC(C)(C)CO)cc1 ZINC000297237724 483831605 /nfs/dbraw/zinc/83/16/05/483831605.db2.gz PDIHFUAMVXKYDB-UHFFFAOYSA-N -1 0 374.415 -0.040 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)[N-]OC(C)(C)CO)[C@H](C)O)cc1 ZINC000297245386 244505645 /nfs/dbraw/zinc/50/56/45/244505645.db2.gz PXWHVACYSLNJFI-AAEUAGOBSA-N -1 0 360.432 -0.159 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[N-]OC(C)(C)CO)[C@@H](C)O)cc1 ZINC000297245390 483831661 /nfs/dbraw/zinc/83/16/61/483831661.db2.gz PXWHVACYSLNJFI-DGCLKSJQSA-N -1 0 360.432 -0.159 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[N-]OC(C)(C)CO)[C@H](C)O)cc1 ZINC000297245395 483831609 /nfs/dbraw/zinc/83/16/09/483831609.db2.gz PXWHVACYSLNJFI-WCQYABFASA-N -1 0 360.432 -0.159 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)[N-]OC(C)(C)CO)[C@@H](C)O)cc1 ZINC000297245399 483831517 /nfs/dbraw/zinc/83/15/17/483831517.db2.gz PXWHVACYSLNJFI-YPMHNXCESA-N -1 0 360.432 -0.159 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)cc1C(=O)OC)C(=O)[O-] ZINC000297331252 483831454 /nfs/dbraw/zinc/83/14/54/483831454.db2.gz XUWRWOMQVMCMKC-SECBINFHSA-N -1 0 363.319 -0.093 20 0 FBADRM CC[C@H](CCC(=O)[O-])NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000297355773 483831434 /nfs/dbraw/zinc/83/14/34/483831434.db2.gz ZNQYMYBHPDMGOM-MRVPVSSYSA-N -1 0 370.387 -0.044 20 0 FBADRM CC[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000297355788 483831569 /nfs/dbraw/zinc/83/15/69/483831569.db2.gz ZNQYMYBHPDMGOM-QMMMGPOBSA-N -1 0 370.387 -0.044 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CCC(=O)[O-])c(=O)n(C)c1=O ZINC000297358307 483831987 /nfs/dbraw/zinc/83/19/87/483831987.db2.gz ZTQVBWKJFNWBFQ-GHMZBOCLSA-N -1 0 373.431 -0.214 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2CCC(=O)[O-])c(=O)n(C)c1=O ZINC000297358310 483832312 /nfs/dbraw/zinc/83/23/12/483832312.db2.gz ZTQVBWKJFNWBFQ-MNOVXSKESA-N -1 0 373.431 -0.214 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2CCC(=O)[O-])c(=O)n(C)c1=O ZINC000297358313 483831927 /nfs/dbraw/zinc/83/19/27/483831927.db2.gz ZTQVBWKJFNWBFQ-QWRGUYRKSA-N -1 0 373.431 -0.214 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2CCC(=O)[O-])c(=O)n(C)c1=O ZINC000297358317 483832327 /nfs/dbraw/zinc/83/23/27/483832327.db2.gz ZTQVBWKJFNWBFQ-WDEREUQCSA-N -1 0 373.431 -0.214 20 0 FBADRM O=C(CCCS(=O)(=O)N1CCCC1)Nc1n[nH]nc1C(=O)NC1CC1 ZINC000297744017 483837209 /nfs/dbraw/zinc/83/72/09/483837209.db2.gz NPDRBRMDDDCTEI-UHFFFAOYSA-N -1 0 370.435 -0.159 20 0 FBADRM CNC(=O)c1n[nH]nc1NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000297748397 483836798 /nfs/dbraw/zinc/83/67/98/483836798.db2.gz NXDJKSOYQHKDRH-UHFFFAOYSA-N -1 0 364.387 -0.143 20 0 FBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1n[nH]nc1C(=O)NC1CC1 ZINC000297850296 483838969 /nfs/dbraw/zinc/83/89/69/483838969.db2.gz XMUYKVPOPPXNQG-UHFFFAOYSA-N -1 0 370.373 -0.169 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)OC ZINC000298060590 483843064 /nfs/dbraw/zinc/84/30/64/483843064.db2.gz GIWSHYOKRGGJKN-SSDOTTSWSA-N -1 0 351.358 -0.171 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)OC ZINC000298060593 483843243 /nfs/dbraw/zinc/84/32/43/483843243.db2.gz GIWSHYOKRGGJKN-ZETCQYMHSA-N -1 0 351.358 -0.171 20 0 FBADRM O=C([O-])c1ccc(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 ZINC000298066105 244551450 /nfs/dbraw/zinc/55/14/50/244551450.db2.gz ATCGNENBXOMHNX-UHFFFAOYSA-N -1 0 361.398 -0.112 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)C(=O)OC ZINC000298068891 483843661 /nfs/dbraw/zinc/84/36/61/483843661.db2.gz MRFBPPYIOMZSBW-JTQLQIEISA-N -1 0 363.319 -0.093 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)C(=O)OC ZINC000298068893 536312486 /nfs/dbraw/zinc/31/24/86/536312486.db2.gz MRFBPPYIOMZSBW-SNVBAGLBSA-N -1 0 363.319 -0.093 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]N1C(=O)N[C@](C)(CC)C1=O ZINC000298087067 483844041 /nfs/dbraw/zinc/84/40/41/483844041.db2.gz JBIVSDFANCETLR-GFCCVEGCSA-N -1 0 359.364 -0.500 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]N1C(=O)N[C@@](C)(CC)C1=O ZINC000298087071 483844010 /nfs/dbraw/zinc/84/40/10/483844010.db2.gz JBIVSDFANCETLR-LBPRGKRZSA-N -1 0 359.364 -0.500 20 0 FBADRM COCCCn1c(=O)c2ccc(C(=O)NCC(N)=O)cc2[n-]c1=S ZINC000298088069 483844215 /nfs/dbraw/zinc/84/42/15/483844215.db2.gz HVTIAOWTHYDCIY-UHFFFAOYSA-N -1 0 350.400 -0.063 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000298123589 483911805 /nfs/dbraw/zinc/91/18/05/483911805.db2.gz CRBJMKPDZRJGTK-JTQLQIEISA-N -1 0 365.385 -0.615 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccsc2)c(=O)n(C)c1=O ZINC000298156287 483845331 /nfs/dbraw/zinc/84/53/31/483845331.db2.gz DNDKAACVUIFAFV-SECBINFHSA-N -1 0 373.412 -0.360 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccsc2)c(=O)n(C)c1=O ZINC000298156291 483845492 /nfs/dbraw/zinc/84/54/92/483845492.db2.gz DNDKAACVUIFAFV-VIFPVBQESA-N -1 0 373.412 -0.360 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NCCNS(C)(=O)=O)cc2[n-]c1=S ZINC000298178797 483845844 /nfs/dbraw/zinc/84/58/44/483845844.db2.gz AODYHUUYXUBTNX-UHFFFAOYSA-N -1 0 356.429 -0.499 20 0 FBADRM COC(=O)[C@@H](CO)NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000298179705 483846035 /nfs/dbraw/zinc/84/60/35/483846035.db2.gz XAYKGOQNGJXGCJ-LLVKDONJSA-N -1 0 351.384 -0.275 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000298190758 483846108 /nfs/dbraw/zinc/84/61/08/483846108.db2.gz BZBOUHYMCIEZIO-JTQLQIEISA-N -1 0 365.385 -0.615 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)[O-] ZINC000298194172 244563872 /nfs/dbraw/zinc/56/38/72/244563872.db2.gz FBJYWDBBEVGMJC-QMMMGPOBSA-N -1 0 358.328 -0.574 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000298197457 483912833 /nfs/dbraw/zinc/91/28/33/483912833.db2.gz HCEVQRZPWQTUCH-NSHDSACASA-N -1 0 350.418 -0.018 20 0 FBADRM CC(=O)NCCNS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000298270464 483847373 /nfs/dbraw/zinc/84/73/73/483847373.db2.gz GJXYZRIRJHVQEL-LLVKDONJSA-N -1 0 369.399 -0.462 20 0 FBADRM CC(=O)NCCNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000298270468 244566302 /nfs/dbraw/zinc/56/63/02/244566302.db2.gz GJXYZRIRJHVQEL-NSHDSACASA-N -1 0 369.399 -0.462 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 ZINC000298272344 483847309 /nfs/dbraw/zinc/84/73/09/483847309.db2.gz HQHDAUIHIMBPHN-JTQLQIEISA-N -1 0 367.383 -0.755 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 ZINC000298272351 483847221 /nfs/dbraw/zinc/84/72/21/483847221.db2.gz HQHDAUIHIMBPHN-SNVBAGLBSA-N -1 0 367.383 -0.755 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1)C(=O)[O-] ZINC000298291933 483847617 /nfs/dbraw/zinc/84/76/17/483847617.db2.gz HKSMDZSYVGWZLA-NSHDSACASA-N -1 0 373.387 -0.455 20 0 FBADRM COc1cc(F)c(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1OC ZINC000298296778 483913488 /nfs/dbraw/zinc/91/34/88/483913488.db2.gz JEIJXEIKGOBDRC-UHFFFAOYSA-N -1 0 350.324 -0.678 20 0 FBADRM COC(=O)CCNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000298301384 483847745 /nfs/dbraw/zinc/84/77/45/483847745.db2.gz WFYCGYZLFCUFPJ-JTQLQIEISA-N -1 0 370.383 -0.035 20 0 FBADRM COC(=O)CCNS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000298301389 483847812 /nfs/dbraw/zinc/84/78/12/483847812.db2.gz WFYCGYZLFCUFPJ-SNVBAGLBSA-N -1 0 370.383 -0.035 20 0 FBADRM O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000298307109 483847663 /nfs/dbraw/zinc/84/76/63/483847663.db2.gz QJKIJSMBQPFNRC-CABCVRRESA-N -1 0 360.414 -0.008 20 0 FBADRM O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000298307115 483847597 /nfs/dbraw/zinc/84/75/97/483847597.db2.gz QJKIJSMBQPFNRC-GJZGRUSLSA-N -1 0 360.414 -0.008 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1C(=O)[O-] ZINC000298339531 483914148 /nfs/dbraw/zinc/91/41/48/483914148.db2.gz XAFFLOARLSZVGU-CYBMUJFWSA-N -1 0 371.415 -0.265 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1C(=O)[O-] ZINC000298339541 483914113 /nfs/dbraw/zinc/91/41/13/483914113.db2.gz XAFFLOARLSZVGU-ZDUSSCGKSA-N -1 0 371.415 -0.265 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1)C(=O)[O-] ZINC000298365324 244574909 /nfs/dbraw/zinc/57/49/09/244574909.db2.gz RRHNHNJYKYTBAJ-VIFPVBQESA-N -1 0 360.344 -0.911 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)c2ccccc2[N-]S(C)(=O)=O)CC1 ZINC000298406374 483849067 /nfs/dbraw/zinc/84/90/67/483849067.db2.gz HNWBCTIWFAWTLZ-UHFFFAOYSA-N -1 0 368.459 -0.002 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000298426754 483849610 /nfs/dbraw/zinc/84/96/10/483849610.db2.gz HVOSXYAZPYCYPJ-UHFFFAOYSA-N -1 0 370.456 -0.109 20 0 FBADRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cn2ccc(=O)n(C)c2=O)c1 ZINC000298453790 483850456 /nfs/dbraw/zinc/85/04/56/483850456.db2.gz WGIIDHIVEDVSRK-UHFFFAOYSA-N -1 0 367.383 -0.315 20 0 FBADRM CN(C)C(=O)COc1cccc(CNC(=O)c2cn(C)c(=O)[nH]c2=O)c1 ZINC000298659205 483852371 /nfs/dbraw/zinc/85/23/71/483852371.db2.gz HGOOBBNOSQYWRO-UHFFFAOYSA-N -1 0 360.370 -0.117 20 0 FBADRM COc1ccc(NC(C)=O)cc1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000298659585 483852347 /nfs/dbraw/zinc/85/23/47/483852347.db2.gz OEGPJGOEKVHQFQ-UHFFFAOYSA-N -1 0 359.360 -0.867 20 0 FBADRM O=C([O-])c1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cn1 ZINC000298666934 483852914 /nfs/dbraw/zinc/85/29/14/483852914.db2.gz QJNLPIXXZABRBR-UHFFFAOYSA-N -1 0 360.370 -0.313 20 0 FBADRM NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000298692660 244594548 /nfs/dbraw/zinc/59/45/48/244594548.db2.gz URQMLQDNYABSKC-GFCCVEGCSA-N -1 0 369.399 -0.471 20 0 FBADRM NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000298692664 244594131 /nfs/dbraw/zinc/59/41/31/244594131.db2.gz URQMLQDNYABSKC-LBPRGKRZSA-N -1 0 369.399 -0.471 20 0 FBADRM NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000298703950 244595597 /nfs/dbraw/zinc/59/55/97/244595597.db2.gz ZLDKDUZAMFRNTQ-LLVKDONJSA-N -1 0 369.399 -0.613 20 0 FBADRM NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000298703952 483853761 /nfs/dbraw/zinc/85/37/61/483853761.db2.gz ZLDKDUZAMFRNTQ-NSHDSACASA-N -1 0 369.399 -0.613 20 0 FBADRM CCNC(=O)CN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000298775777 483855157 /nfs/dbraw/zinc/85/51/57/483855157.db2.gz FYZFLHGOEBLMEX-UHFFFAOYSA-N -1 0 371.415 -0.352 20 0 FBADRM CC(=O)N1CCN(CCNC(=O)c2ccccc2[N-]S(C)(=O)=O)CC1 ZINC000298791778 483855602 /nfs/dbraw/zinc/85/56/02/483855602.db2.gz XWODWUQMGYYDOQ-UHFFFAOYSA-N -1 0 368.459 -0.048 20 0 FBADRM COCC(=O)N1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CC1 ZINC000298794031 244603591 /nfs/dbraw/zinc/60/35/91/244603591.db2.gz NDADYFPLXXFQMF-UHFFFAOYSA-N -1 0 355.416 -0.011 20 0 FBADRM CCCNC(=O)CNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000298801847 483855472 /nfs/dbraw/zinc/85/54/72/483855472.db2.gz QHPUDSUUHRJGFR-UHFFFAOYSA-N -1 0 357.388 -0.695 20 0 FBADRM COCC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)CC1 ZINC000298831861 244607992 /nfs/dbraw/zinc/60/79/92/244607992.db2.gz AMSFKXSSBPHBPR-UHFFFAOYSA-N -1 0 372.399 -0.122 20 0 FBADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)NCC1(C(N)=O)CCOCC1 ZINC000298834621 483855781 /nfs/dbraw/zinc/85/57/81/483855781.db2.gz BDUPLJXVCVWDMS-UHFFFAOYSA-N -1 0 372.399 -0.041 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)C(=O)OC ZINC000298835835 483855913 /nfs/dbraw/zinc/85/59/13/483855913.db2.gz BUDHAPHKUHRLAQ-SSDOTTSWSA-N -1 0 351.358 -0.171 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)C(=O)OC ZINC000298835837 483856049 /nfs/dbraw/zinc/85/60/49/483856049.db2.gz BUDHAPHKUHRLAQ-ZETCQYMHSA-N -1 0 351.358 -0.171 20 0 FBADRM COc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1[C@]1(C)NC(=O)NC1=O ZINC000298844633 483856489 /nfs/dbraw/zinc/85/64/89/483856489.db2.gz FMWAEAHHIFZRBD-AWEZNQCLSA-N -1 0 371.371 -0.497 20 0 FBADRM COc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1[C@@]1(C)NC(=O)NC1=O ZINC000298844636 483856450 /nfs/dbraw/zinc/85/64/50/483856450.db2.gz FMWAEAHHIFZRBD-CQSZACIVSA-N -1 0 371.371 -0.497 20 0 FBADRM COCCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000298845504 483914521 /nfs/dbraw/zinc/91/45/21/483914521.db2.gz IECVLGWGDXMBKH-UHFFFAOYSA-N -1 0 374.415 -0.125 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000298847681 244610711 /nfs/dbraw/zinc/61/07/11/244610711.db2.gz HFXXPRIWCXILJK-UHFFFAOYSA-N -1 0 355.372 -0.560 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC1(C(N)=O)CCOCC1 ZINC000298851670 483856476 /nfs/dbraw/zinc/85/64/76/483856476.db2.gz LTGJOHNNZBEAIZ-UHFFFAOYSA-N -1 0 372.399 -0.046 20 0 FBADRM COc1ccc(S(=O)(=O)NCC(=O)[O-])cc1[C@@]1(C)NC(=O)NC1=O ZINC000298854979 483856252 /nfs/dbraw/zinc/85/62/52/483856252.db2.gz LOAGMSWAORZPTQ-CYBMUJFWSA-N -1 0 357.344 -0.887 20 0 FBADRM COc1ccc(S(=O)(=O)NCC(=O)[O-])cc1[C@]1(C)NC(=O)NC1=O ZINC000298854982 483856307 /nfs/dbraw/zinc/85/63/07/483856307.db2.gz LOAGMSWAORZPTQ-ZDUSSCGKSA-N -1 0 357.344 -0.887 20 0 FBADRM Cn1cc(CCNS(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)cn1 ZINC000298855678 244608900 /nfs/dbraw/zinc/60/89/00/244608900.db2.gz OIERSWDSWOAUHS-UHFFFAOYSA-N -1 0 366.399 -0.245 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(C(=O)OC)s1)C(=O)[O-] ZINC000298856478 483856226 /nfs/dbraw/zinc/85/62/26/483856226.db2.gz NNDPVKUKECCAPB-LURJTMIESA-N -1 0 351.358 -0.171 20 0 FBADRM CCCCN(CC(N)=O)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000298865043 244610835 /nfs/dbraw/zinc/61/08/35/244610835.db2.gz RYJVPRUJMWFWNK-UHFFFAOYSA-N -1 0 371.415 -0.223 20 0 FBADRM CCCN(CC(=O)NC)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000298866551 483856324 /nfs/dbraw/zinc/85/63/24/483856324.db2.gz IZVRRPFSGFZKNG-UHFFFAOYSA-N -1 0 371.415 -0.352 20 0 FBADRM COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000298867684 244608856 /nfs/dbraw/zinc/60/88/56/244608856.db2.gz ULIKTKAKCUBXJW-JTQLQIEISA-N -1 0 372.399 -0.069 20 0 FBADRM COC(=O)[C@H](C)CN(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000298867687 483856215 /nfs/dbraw/zinc/85/62/15/483856215.db2.gz ULIKTKAKCUBXJW-SNVBAGLBSA-N -1 0 372.399 -0.069 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])cc1[C@@]1(C)NC(=O)NC1=O ZINC000298867877 483856213 /nfs/dbraw/zinc/85/62/13/483856213.db2.gz SIGCTOVQJRWKRQ-JKYUHCHBSA-N -1 0 371.371 -0.499 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])cc1[C@]1(C)NC(=O)NC1=O ZINC000298867878 483856749 /nfs/dbraw/zinc/85/67/49/483856749.db2.gz SIGCTOVQJRWKRQ-WJWGPLDTSA-N -1 0 371.371 -0.499 20 0 FBADRM COCC(=O)N1CCN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000298868693 483914199 /nfs/dbraw/zinc/91/41/99/483914199.db2.gz UNOYHBHJCVNMFA-UHFFFAOYSA-N -1 0 372.399 -0.371 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1cccc(C(=O)N(C)C)c1)C(=O)[O-] ZINC000298870150 483856900 /nfs/dbraw/zinc/85/69/00/483856900.db2.gz UBZNINPYFRLLLX-NSHDSACASA-N -1 0 358.372 -0.317 20 0 FBADRM COCC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)CC1 ZINC000298872109 483914351 /nfs/dbraw/zinc/91/43/51/483914351.db2.gz WDDNYFKLPFAEGQ-UHFFFAOYSA-N -1 0 372.399 -0.127 20 0 FBADRM CN(CC(N)=O)S(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000298875656 483856742 /nfs/dbraw/zinc/85/67/42/483856742.db2.gz XVGVPEPITUXZEH-SECBINFHSA-N -1 0 355.372 -0.770 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000298875657 483856842 /nfs/dbraw/zinc/85/68/42/483856842.db2.gz XHARRIMHBNEACL-UHFFFAOYSA-N -1 0 359.335 -0.811 20 0 FBADRM CN(CC(N)=O)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000298875660 483856919 /nfs/dbraw/zinc/85/69/19/483856919.db2.gz XVGVPEPITUXZEH-VIFPVBQESA-N -1 0 355.372 -0.770 20 0 FBADRM CC(C)CS(=O)(=O)CC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000298907248 483857248 /nfs/dbraw/zinc/85/72/48/483857248.db2.gz AZWKBJPKDBXKPV-UHFFFAOYSA-N -1 0 356.451 -0.081 20 0 FBADRM COc1ccc(S(=O)(=O)NCC(=O)[N-]OCC(C)(C)O)cc1OC ZINC000298907555 483857194 /nfs/dbraw/zinc/85/71/94/483857194.db2.gz LNAKWTXGVXGONC-UHFFFAOYSA-N -1 0 362.404 -0.199 20 0 FBADRM CCN(CCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)S(C)(=O)=O ZINC000298915449 483857239 /nfs/dbraw/zinc/85/72/39/483857239.db2.gz FGRGBSMWKPDPNA-UHFFFAOYSA-N -1 0 369.403 -0.163 20 0 FBADRM CN(CC(=O)Nc1ccccc1C(=O)[O-])S(=O)(=O)N1CCOCC1 ZINC000299074485 483859327 /nfs/dbraw/zinc/85/93/27/483859327.db2.gz FWPMONGHOCVVQD-UHFFFAOYSA-N -1 0 357.388 -0.168 20 0 FBADRM COC(=O)C[C@@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)OC ZINC000299078052 483860028 /nfs/dbraw/zinc/86/00/28/483860028.db2.gz FIVHGUKYFSNIBY-MRVPVSSYSA-N -1 0 350.287 -0.730 20 0 FBADRM COC(=O)C[C@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)OC ZINC000299078059 536346184 /nfs/dbraw/zinc/34/61/84/536346184.db2.gz FIVHGUKYFSNIBY-QMMMGPOBSA-N -1 0 350.287 -0.730 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000299097250 483859831 /nfs/dbraw/zinc/85/98/31/483859831.db2.gz ZGJPNAWSUPFZLR-UHFFFAOYSA-N -1 0 367.424 -0.134 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)CNC(=O)NCc2ccco2)s1 ZINC000299101248 483859927 /nfs/dbraw/zinc/85/99/27/483859927.db2.gz HZXBTWKGUFTXEC-UHFFFAOYSA-N -1 0 374.404 -0.060 20 0 FBADRM CNC(=O)CN1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CC1 ZINC000299202268 483861300 /nfs/dbraw/zinc/86/13/00/483861300.db2.gz FBUCXOKXYMGMII-UHFFFAOYSA-N -1 0 354.432 -0.438 20 0 FBADRM COCCOCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000299204974 483861155 /nfs/dbraw/zinc/86/11/55/483861155.db2.gz ILYRPFXDHOVQIX-UHFFFAOYSA-N -1 0 360.388 -0.558 20 0 FBADRM CCN(CC)C(=O)c1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000299222471 483861272 /nfs/dbraw/zinc/86/12/72/483861272.db2.gz YVGZHJMBKHAXLQ-UHFFFAOYSA-N -1 0 371.415 -0.352 20 0 FBADRM CCOCCOc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000299226934 483861627 /nfs/dbraw/zinc/86/16/27/483861627.db2.gz XSXCZONJOPURIA-UHFFFAOYSA-N -1 0 360.388 -0.419 20 0 FBADRM COCCN1C[C@H](C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)CC1=O ZINC000299243238 244633966 /nfs/dbraw/zinc/63/39/66/244633966.db2.gz BTYHULMLFKOUPD-SSDOTTSWSA-N -1 0 363.421 -0.657 20 0 FBADRM COCCN1C[C@@H](C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)CC1=O ZINC000299243240 483861723 /nfs/dbraw/zinc/86/17/23/483861723.db2.gz BTYHULMLFKOUPD-ZETCQYMHSA-N -1 0 363.421 -0.657 20 0 FBADRM O=C([O-])CNC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000299257738 483861603 /nfs/dbraw/zinc/86/16/03/483861603.db2.gz NTNSKTJZKONTEN-ZZXKWVIFSA-N -1 0 354.384 -0.079 20 0 FBADRM CC(C)NC(=O)CNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000299280701 483862132 /nfs/dbraw/zinc/86/21/32/483862132.db2.gz BCZJMBLOVBIGJH-UHFFFAOYSA-N -1 0 357.388 -0.696 20 0 FBADRM CC(C)C(=O)NCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000299286110 244638164 /nfs/dbraw/zinc/63/81/64/244638164.db2.gz LWCRYWJRAHPMDU-UHFFFAOYSA-N -1 0 371.415 -0.449 20 0 FBADRM CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000299287404 483862206 /nfs/dbraw/zinc/86/22/06/483862206.db2.gz MPNCGUNDBLGXHO-UHFFFAOYSA-N -1 0 369.399 -0.600 20 0 FBADRM CC(C)NC(=O)CN(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000299293027 483862592 /nfs/dbraw/zinc/86/25/92/483862592.db2.gz SKTFKSDEZUKAAA-UHFFFAOYSA-N -1 0 371.415 -0.354 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1=O ZINC000299298015 483862294 /nfs/dbraw/zinc/86/22/94/483862294.db2.gz XNYCJXYYGLTMIL-CYBMUJFWSA-N -1 0 353.360 -0.230 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1=O ZINC000299298018 483862180 /nfs/dbraw/zinc/86/21/80/483862180.db2.gz XNYCJXYYGLTMIL-ZDUSSCGKSA-N -1 0 353.360 -0.230 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000299392984 483863369 /nfs/dbraw/zinc/86/33/69/483863369.db2.gz GUDMHKBEOJTUPC-UHFFFAOYSA-N -1 0 355.376 -0.506 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000299419636 483863375 /nfs/dbraw/zinc/86/33/75/483863375.db2.gz BUOBHVDNHLAIHV-NWDGAFQWSA-N -1 0 359.423 -0.061 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@H]1CN(C)CCO1 ZINC000299419639 483863387 /nfs/dbraw/zinc/86/33/87/483863387.db2.gz BUOBHVDNHLAIHV-RYUDHWBXSA-N -1 0 359.423 -0.061 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c(Cl)c1 ZINC000299576712 483865757 /nfs/dbraw/zinc/86/57/57/483865757.db2.gz IPJZZXZEFVHXNU-UHFFFAOYSA-N -1 0 364.763 -0.394 20 0 FBADRM Cc1ccc(O)c(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 ZINC000299628640 484145907 /nfs/dbraw/zinc/14/59/07/484145907.db2.gz ITWHRAXZSNFKJX-DZGCQCFKSA-N -1 0 354.428 -0.384 20 0 FBADRM Cc1ccc(O)c(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 ZINC000299628642 484146277 /nfs/dbraw/zinc/14/62/77/484146277.db2.gz ITWHRAXZSNFKJX-HIFRSBDPSA-N -1 0 354.428 -0.384 20 0 FBADRM Cc1ccc(O)c(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 ZINC000299628644 484146331 /nfs/dbraw/zinc/14/63/31/484146331.db2.gz ITWHRAXZSNFKJX-UKRRQHHQSA-N -1 0 354.428 -0.384 20 0 FBADRM Cc1ccc(O)c(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 ZINC000299628646 484146095 /nfs/dbraw/zinc/14/60/95/484146095.db2.gz ITWHRAXZSNFKJX-ZFWWWQNUSA-N -1 0 354.428 -0.384 20 0 FBADRM COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000299637811 483866459 /nfs/dbraw/zinc/86/64/59/483866459.db2.gz UMRPIFZAABGHQY-UHFFFAOYSA-N -1 0 364.763 -0.394 20 0 FBADRM COC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)nnn2[O-] ZINC000299657623 483866955 /nfs/dbraw/zinc/86/69/55/483866955.db2.gz MTLMSKGPQCZICQ-SSDOTTSWSA-N -1 0 358.332 -0.948 20 0 FBADRM COC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)nnn2[O-] ZINC000299657626 483866886 /nfs/dbraw/zinc/86/68/86/483866886.db2.gz MTLMSKGPQCZICQ-ZETCQYMHSA-N -1 0 358.332 -0.948 20 0 FBADRM CCN1CCN(CC(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)C(=O)C1=O ZINC000299700948 483867432 /nfs/dbraw/zinc/86/74/32/483867432.db2.gz ZWAIXJWOORYORJ-UHFFFAOYSA-N -1 0 359.342 -0.341 20 0 FBADRM O=C([O-])c1cn(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)nn1 ZINC000311663365 601194763 /nfs/dbraw/zinc/19/47/63/601194763.db2.gz HAQIIFGOFPATRZ-AWEZNQCLSA-N -1 0 359.386 -0.007 20 0 FBADRM O=C([O-])c1cn(CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)nn1 ZINC000311663366 601194811 /nfs/dbraw/zinc/19/48/11/601194811.db2.gz HAQIIFGOFPATRZ-CQSZACIVSA-N -1 0 359.386 -0.007 20 0 FBADRM COC[C@H](NS(=O)(=O)c1nc(C)n(C)c1Br)C(=O)[O-] ZINC000312024954 658656473 /nfs/dbraw/zinc/65/64/73/658656473.db2.gz VZVUOGGFSGEWSQ-LURJTMIESA-N -1 0 356.198 -0.131 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1nc(C)n(C)c1Br)C(=O)[O-] ZINC000312024956 658656755 /nfs/dbraw/zinc/65/67/55/658656755.db2.gz VZVUOGGFSGEWSQ-ZCFIWIBFSA-N -1 0 356.198 -0.131 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000314040615 485274506 /nfs/dbraw/zinc/27/45/06/485274506.db2.gz MYLHSTGGMVIIOF-LURJTMIESA-N -1 0 351.724 -0.145 20 0 FBADRM NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000314040617 485274481 /nfs/dbraw/zinc/27/44/81/485274481.db2.gz MYLHSTGGMVIIOF-ZCFIWIBFSA-N -1 0 351.724 -0.145 20 0 FBADRM CSCC[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000314158731 485275606 /nfs/dbraw/zinc/27/56/06/485275606.db2.gz AEZLJDUHMGTIBG-JTQLQIEISA-N -1 0 368.458 -0.181 20 0 FBADRM CSCC[C@@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000314159789 485275326 /nfs/dbraw/zinc/27/53/26/485275326.db2.gz AEZLJDUHMGTIBG-SNVBAGLBSA-N -1 0 368.458 -0.181 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])C1 ZINC000314162523 485275487 /nfs/dbraw/zinc/27/54/87/485275487.db2.gz ASPDBFOQHPMTKT-NXEZZACHSA-N -1 0 352.434 -0.034 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])C1 ZINC000314162525 485274891 /nfs/dbraw/zinc/27/48/91/485274891.db2.gz ASPDBFOQHPMTKT-UWVGGRQHSA-N -1 0 352.434 -0.034 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])C1 ZINC000314162527 485275683 /nfs/dbraw/zinc/27/56/83/485275683.db2.gz ASPDBFOQHPMTKT-VHSXEESVSA-N -1 0 352.434 -0.034 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])C1 ZINC000314162531 485275642 /nfs/dbraw/zinc/27/56/42/485275642.db2.gz ASPDBFOQHPMTKT-ZJUUUORDSA-N -1 0 352.434 -0.034 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@@H](CCSC)C(=O)[O-])CC1 ZINC000314195037 485275342 /nfs/dbraw/zinc/27/53/42/485275342.db2.gz HFWSCZAIJPBEHV-JTQLQIEISA-N -1 0 354.450 -0.088 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@H](CCSC)C(=O)[O-])CC1 ZINC000314195038 485275542 /nfs/dbraw/zinc/27/55/42/485275542.db2.gz HFWSCZAIJPBEHV-SNVBAGLBSA-N -1 0 354.450 -0.088 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCNS(C)(=O)=O ZINC000314213100 483871089 /nfs/dbraw/zinc/87/10/89/483871089.db2.gz CBGMTDSBZKDWHX-UHFFFAOYSA-N -1 0 352.390 -0.779 20 0 FBADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCCNS(C)(=O)=O)c1C ZINC000314221143 485276354 /nfs/dbraw/zinc/27/63/54/485276354.db2.gz DQAHMXZQSPKLDI-UHFFFAOYSA-N -1 0 350.418 -0.171 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])CC1 ZINC000314245262 485276195 /nfs/dbraw/zinc/27/61/95/485276195.db2.gz PZIMPFUAJGTGHI-JTQLQIEISA-N -1 0 352.434 -0.034 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])CC1 ZINC000314245263 485276561 /nfs/dbraw/zinc/27/65/61/485276561.db2.gz PZIMPFUAJGTGHI-SNVBAGLBSA-N -1 0 352.434 -0.034 20 0 FBADRM CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000314260860 600690267 /nfs/dbraw/zinc/69/02/67/600690267.db2.gz SGIMPOMPNQPSTM-SECBINFHSA-N -1 0 351.406 -0.835 20 0 FBADRM CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000314260863 600690261 /nfs/dbraw/zinc/69/02/61/600690261.db2.gz SGIMPOMPNQPSTM-VIFPVBQESA-N -1 0 351.406 -0.835 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000314269543 485276075 /nfs/dbraw/zinc/27/60/75/485276075.db2.gz NZZYKVXPCTYQSD-UHFFFAOYSA-N -1 0 351.724 -0.273 20 0 FBADRM CS(=O)(=O)NCCNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000314285363 483871131 /nfs/dbraw/zinc/87/11/31/483871131.db2.gz QVDHYFIXNLYTAP-UHFFFAOYSA-N -1 0 350.418 -0.469 20 0 FBADRM CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000314295563 600765160 /nfs/dbraw/zinc/76/51/60/600765160.db2.gz SRDVYQWBIXRRSO-SECBINFHSA-N -1 0 350.418 -0.079 20 0 FBADRM CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000314295564 600765228 /nfs/dbraw/zinc/76/52/28/600765228.db2.gz SRDVYQWBIXRRSO-VIFPVBQESA-N -1 0 350.418 -0.079 20 0 FBADRM CS(=O)(=O)NCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000314307751 601229845 /nfs/dbraw/zinc/22/98/45/601229845.db2.gz VXSNLRNXOHMXES-UHFFFAOYSA-N -1 0 358.344 -0.510 20 0 FBADRM Cc1cc(C)c(S(=O)(=O)NCCNS(C)(=O)=O)cc1C(=O)[O-] ZINC000314398974 483871698 /nfs/dbraw/zinc/87/16/98/483871698.db2.gz DLQLEZOOKACGCR-UHFFFAOYSA-N -1 0 350.418 -0.171 20 0 FBADRM CCN(CCCNS(=O)(=O)c1ccc(C(=O)[O-])o1)S(C)(=O)=O ZINC000314410973 483871623 /nfs/dbraw/zinc/87/16/23/483871623.db2.gz BIAJTLYELWHRKZ-UHFFFAOYSA-N -1 0 354.406 -0.072 20 0 FBADRM CS(=O)(=O)CCNS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000314456074 599774421 /nfs/dbraw/zinc/77/44/21/599774421.db2.gz KRICXPSZHPDETJ-UHFFFAOYSA-N -1 0 351.402 -0.137 20 0 FBADRM CS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000314471422 599767508 /nfs/dbraw/zinc/76/75/08/599767508.db2.gz NKUGNBZQINMZNZ-UHFFFAOYSA-N -1 0 352.390 -0.320 20 0 FBADRM CS(=O)(=O)NC1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000314517180 600697911 /nfs/dbraw/zinc/69/79/11/600697911.db2.gz XLUHANNRHIFDAA-UHFFFAOYSA-N -1 0 351.406 -0.585 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000314567140 599769401 /nfs/dbraw/zinc/76/94/01/599769401.db2.gz CDTDFEOFYRBOHK-MRVPVSSYSA-N -1 0 352.390 -0.320 20 0 FBADRM CS(=O)(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000314567143 599769461 /nfs/dbraw/zinc/76/94/61/599769461.db2.gz CDTDFEOFYRBOHK-QMMMGPOBSA-N -1 0 352.390 -0.320 20 0 FBADRM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)NCCNS(C)(=O)=O ZINC000314580011 484390247 /nfs/dbraw/zinc/39/02/47/484390247.db2.gz YWMUCIOFSHMRLJ-UHFFFAOYSA-N -1 0 354.381 -0.340 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000314788883 484539414 /nfs/dbraw/zinc/53/94/14/484539414.db2.gz UYFTXVULBFMSSR-NSHDSACASA-N -1 0 351.406 -0.558 20 0 FBADRM CS(=O)(=O)NCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000314796848 484542521 /nfs/dbraw/zinc/54/25/21/484542521.db2.gz FJCRSGOIXCTEBA-UHFFFAOYSA-N -1 0 356.809 -0.134 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000314823618 485282541 /nfs/dbraw/zinc/28/25/41/485282541.db2.gz DULZZFDRKUGAFC-ZETCQYMHSA-N -1 0 351.724 -0.145 20 0 FBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000314842080 485279631 /nfs/dbraw/zinc/27/96/31/485279631.db2.gz SHGAUZFYGRLCIE-NXEZZACHSA-N -1 0 354.450 -0.641 20 0 FBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000314842081 485280074 /nfs/dbraw/zinc/28/00/74/485280074.db2.gz SHGAUZFYGRLCIE-UWVGGRQHSA-N -1 0 354.450 -0.641 20 0 FBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000314842082 485279497 /nfs/dbraw/zinc/27/94/97/485279497.db2.gz SHGAUZFYGRLCIE-VHSXEESVSA-N -1 0 354.450 -0.641 20 0 FBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000314842083 485279843 /nfs/dbraw/zinc/27/98/43/485279843.db2.gz SHGAUZFYGRLCIE-ZJUUUORDSA-N -1 0 354.450 -0.641 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)CCNS(=O)(=O)c1cccs1 ZINC000314910885 485323357 /nfs/dbraw/zinc/32/33/57/485323357.db2.gz HYVSLDGKCYFDOG-UHFFFAOYSA-N -1 0 350.418 -0.024 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000314953517 485323475 /nfs/dbraw/zinc/32/34/75/485323475.db2.gz CNMRMYXCOOTKDB-UHFFFAOYSA-N -1 0 352.390 -0.448 20 0 FBADRM CCN(CCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)S(C)(=O)=O ZINC000315102187 484390507 /nfs/dbraw/zinc/39/05/07/484390507.db2.gz OFGNHPHQZQNUNM-UHFFFAOYSA-N -1 0 353.422 -0.337 20 0 FBADRM NS(=O)(=O)c1ccc(CCNS(=O)(=O)CCCC(=O)[O-])cc1 ZINC000315133901 483874943 /nfs/dbraw/zinc/87/49/43/483874943.db2.gz KRCSKESZUYNVJG-UHFFFAOYSA-N -1 0 350.418 -0.339 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)c1 ZINC000315205979 483876368 /nfs/dbraw/zinc/87/63/68/483876368.db2.gz RLONYUKTGKFMPV-LLVKDONJSA-N -1 0 366.442 -0.427 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCSC2)c1 ZINC000315205980 483876256 /nfs/dbraw/zinc/87/62/56/483876256.db2.gz RLONYUKTGKFMPV-NSHDSACASA-N -1 0 366.442 -0.427 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000315350469 485285229 /nfs/dbraw/zinc/28/52/29/485285229.db2.gz OWKJJNMQCSKDFM-UHFFFAOYSA-N -1 0 352.390 -0.944 20 0 FBADRM CS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000315517178 483876668 /nfs/dbraw/zinc/87/66/68/483876668.db2.gz UERWAVGQSGIPOI-UHFFFAOYSA-N -1 0 352.390 -0.320 20 0 FBADRM COCC[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000315518226 485286337 /nfs/dbraw/zinc/28/63/37/485286337.db2.gz YKZNZHYVWQKXDU-JTQLQIEISA-N -1 0 352.390 -0.898 20 0 FBADRM COCC[C@@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000315518228 485285707 /nfs/dbraw/zinc/28/57/07/485285707.db2.gz YKZNZHYVWQKXDU-SNVBAGLBSA-N -1 0 352.390 -0.898 20 0 FBADRM COC(=O)CN(CC(=O)OC)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000315522591 600014140 /nfs/dbraw/zinc/01/41/40/600014140.db2.gz IXMJTEJBIUOMAZ-UHFFFAOYSA-N -1 0 351.358 -0.217 20 0 FBADRM CS(=O)(=O)N1CCC(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000315566495 483877522 /nfs/dbraw/zinc/87/75/22/483877522.db2.gz YYCXPNWAKGNQNB-UHFFFAOYSA-N -1 0 351.406 -0.585 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(C)(C)NS(C)(=O)=O)cc1C(=O)[O-] ZINC000315653146 600781723 /nfs/dbraw/zinc/78/17/23/600781723.db2.gz ICHBDMDTDPHZDK-UHFFFAOYSA-N -1 0 353.422 -0.671 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCC(C)(C)NS(C)(=O)=O ZINC000315655181 483662780 /nfs/dbraw/zinc/66/27/80/483662780.db2.gz CBGQNHLSCCDLCC-UHFFFAOYSA-N -1 0 354.406 -0.108 20 0 FBADRM C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000315663742 485286633 /nfs/dbraw/zinc/28/66/33/485286633.db2.gz DAYGSCZUROVLTG-GMSGAONNSA-N -1 0 366.442 -0.129 20 0 FBADRM C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000315663746 485287100 /nfs/dbraw/zinc/28/71/00/485287100.db2.gz DAYGSCZUROVLTG-OIBJUYFYSA-N -1 0 366.442 -0.129 20 0 FBADRM C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000315663750 485286913 /nfs/dbraw/zinc/28/69/13/485286913.db2.gz DAYGSCZUROVLTG-XCBNKYQSSA-N -1 0 366.442 -0.129 20 0 FBADRM C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000315663754 485286690 /nfs/dbraw/zinc/28/66/90/485286690.db2.gz DAYGSCZUROVLTG-XVKPBYJWSA-N -1 0 366.442 -0.129 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000315716276 483917099 /nfs/dbraw/zinc/91/70/99/483917099.db2.gz CPEMSDUOXJGIFR-UHFFFAOYSA-N -1 0 350.418 -0.169 20 0 FBADRM CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c1 ZINC000315812900 837100090 /nfs/dbraw/zinc/10/00/90/837100090.db2.gz WCYSPTDUTPMYEC-SECBINFHSA-N -1 0 371.820 -0.143 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2[C@@H](C)SC[C@@H]2C(=O)[O-])CC1 ZINC000315864231 485292403 /nfs/dbraw/zinc/29/24/03/485292403.db2.gz PCYONYGULRGFJV-PSASIEDQSA-N -1 0 352.434 -0.036 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2[C@@H](C)SC[C@H]2C(=O)[O-])CC1 ZINC000315864239 485291557 /nfs/dbraw/zinc/29/15/57/485291557.db2.gz PCYONYGULRGFJV-SCZZXKLOSA-N -1 0 352.434 -0.036 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2[C@H](C)SC[C@@H]2C(=O)[O-])CC1 ZINC000315864261 485291985 /nfs/dbraw/zinc/29/19/85/485291985.db2.gz PCYONYGULRGFJV-WCBMZHEXSA-N -1 0 352.434 -0.036 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2[C@H](C(=O)[O-])CS[C@H]2C)CC1 ZINC000315864271 485292203 /nfs/dbraw/zinc/29/22/03/485292203.db2.gz PCYONYGULRGFJV-WPRPVWTQSA-N -1 0 352.434 -0.036 20 0 FBADRM CC(C)(CNS(=O)(=O)c1cccc(C(=O)[O-])c1)NS(C)(=O)=O ZINC000315865932 483758522 /nfs/dbraw/zinc/75/85/22/483758522.db2.gz PEUGSDIVVVOFRW-UHFFFAOYSA-N -1 0 350.418 -0.009 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC000316054367 601254514 /nfs/dbraw/zinc/25/45/14/601254514.db2.gz LWZKBAGRYWZVKH-JTQLQIEISA-N -1 0 357.454 -0.959 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000316054369 601254580 /nfs/dbraw/zinc/25/45/80/601254580.db2.gz LWZKBAGRYWZVKH-SNVBAGLBSA-N -1 0 357.454 -0.959 20 0 FBADRM COC(=O)CN(CC(=O)OC)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000316088715 600736305 /nfs/dbraw/zinc/73/63/05/600736305.db2.gz AJDNZTMOCKHOEB-UHFFFAOYSA-N -1 0 351.358 -0.217 20 0 FBADRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000316191366 483879155 /nfs/dbraw/zinc/87/91/55/483879155.db2.gz WERRMPQFVMJMLQ-UHFFFAOYSA-N -1 0 369.446 -0.735 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000316243944 600989696 /nfs/dbraw/zinc/98/96/96/600989696.db2.gz COBRSEKGZAYCNQ-UHFFFAOYSA-N -1 0 351.406 -0.925 20 0 FBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccnc1Cl ZINC000316263808 845418772 /nfs/dbraw/zinc/41/87/72/845418772.db2.gz BAEAPLDLVOCXIE-MRVPVSSYSA-N -1 0 368.820 -0.003 20 0 FBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccnc1Cl ZINC000316263812 845418507 /nfs/dbraw/zinc/41/85/07/845418507.db2.gz BAEAPLDLVOCXIE-QMMMGPOBSA-N -1 0 368.820 -0.003 20 0 FBADRM CCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000316413754 483983224 /nfs/dbraw/zinc/98/32/24/483983224.db2.gz YQSCFKWNJZCJTQ-LLVKDONJSA-N -1 0 356.466 -0.073 20 0 FBADRM CCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000316413756 483982594 /nfs/dbraw/zinc/98/25/94/483982594.db2.gz YQSCFKWNJZCJTQ-NSHDSACASA-N -1 0 356.466 -0.073 20 0 FBADRM CC[C@H](CNS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1)C(=O)[O-] ZINC000316558749 657384350 /nfs/dbraw/zinc/38/43/50/657384350.db2.gz PUOAPGFAGXHXJO-SECBINFHSA-N -1 0 350.418 -0.016 20 0 FBADRM CC[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1)C(=O)[O-] ZINC000316558751 657384673 /nfs/dbraw/zinc/38/46/73/657384673.db2.gz PUOAPGFAGXHXJO-VIFPVBQESA-N -1 0 350.418 -0.016 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000316623683 483995085 /nfs/dbraw/zinc/99/50/85/483995085.db2.gz MQQYYERJVOTJKU-UHFFFAOYSA-N -1 0 351.406 -0.925 20 0 FBADRM CCc1ccc(S(=O)(=O)NCCNS(C)(=O)=O)cc1C(=O)[O-] ZINC000316659808 483880931 /nfs/dbraw/zinc/88/09/31/483880931.db2.gz SLXXEOREMWWTPZ-UHFFFAOYSA-N -1 0 350.418 -0.225 20 0 FBADRM C[C@@H]1CCCCN1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000316688351 483798133 /nfs/dbraw/zinc/79/81/33/483798133.db2.gz IWEJFFABXDTTBO-GHMZBOCLSA-N -1 0 354.450 -0.321 20 0 FBADRM C[C@@H]1CCCCN1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000316688354 483798408 /nfs/dbraw/zinc/79/84/08/483798408.db2.gz IWEJFFABXDTTBO-MNOVXSKESA-N -1 0 354.450 -0.321 20 0 FBADRM C[C@H]1CCCCN1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000316688356 483798091 /nfs/dbraw/zinc/79/80/91/483798091.db2.gz IWEJFFABXDTTBO-QWRGUYRKSA-N -1 0 354.450 -0.321 20 0 FBADRM C[C@H]1CCCCN1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000316688359 483798061 /nfs/dbraw/zinc/79/80/61/483798061.db2.gz IWEJFFABXDTTBO-WDEREUQCSA-N -1 0 354.450 -0.321 20 0 FBADRM CC1CCN(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])CC1 ZINC000316798288 483898010 /nfs/dbraw/zinc/89/80/10/483898010.db2.gz VYQDQAYIXUUHEV-LLVKDONJSA-N -1 0 354.450 -0.463 20 0 FBADRM CC1CCN(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])CC1 ZINC000316798289 483898219 /nfs/dbraw/zinc/89/82/19/483898219.db2.gz VYQDQAYIXUUHEV-NSHDSACASA-N -1 0 354.450 -0.463 20 0 FBADRM CS(=O)(=O)N1CCC(NS(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC000316808883 484401800 /nfs/dbraw/zinc/40/18/00/484401800.db2.gz AXDZBZSAVXNDGH-UHFFFAOYSA-N -1 0 369.446 -0.456 20 0 FBADRM CS(=O)(=O)[C@@H]1CSCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000316809727 845489781 /nfs/dbraw/zinc/48/97/81/845489781.db2.gz ZQOULLKPBIDDHL-SECBINFHSA-N -1 0 369.446 -0.924 20 0 FBADRM CS(=O)(=O)[C@H]1CSCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000316809728 845489674 /nfs/dbraw/zinc/48/96/74/845489674.db2.gz ZQOULLKPBIDDHL-VIFPVBQESA-N -1 0 369.446 -0.924 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)NCC[C@@H](C)C(=O)[O-])cc1 ZINC000316914498 845513494 /nfs/dbraw/zinc/51/34/94/845513494.db2.gz JQUSLGRKKCBWPP-SECBINFHSA-N -1 0 350.418 -0.016 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)NCC[C@H](C)C(=O)[O-])cc1 ZINC000316914499 845513424 /nfs/dbraw/zinc/51/34/24/845513424.db2.gz JQUSLGRKKCBWPP-VIFPVBQESA-N -1 0 350.418 -0.016 20 0 FBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)N1CCCCCC1 ZINC000316915646 484131273 /nfs/dbraw/zinc/13/12/73/484131273.db2.gz JUPMJCHFZTZBGM-LLVKDONJSA-N -1 0 354.450 -0.319 20 0 FBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)N1CCCCCC1 ZINC000316915647 484131409 /nfs/dbraw/zinc/13/14/09/484131409.db2.gz JUPMJCHFZTZBGM-NSHDSACASA-N -1 0 354.450 -0.319 20 0 FBADRM Cc1cc(S(=O)(=O)NCCNS(C)(=O)=O)cc(C(=O)[O-])c1F ZINC000316926302 845513726 /nfs/dbraw/zinc/51/37/26/845513726.db2.gz XNLGNYTTXKGFLE-UHFFFAOYSA-N -1 0 354.381 -0.340 20 0 FBADRM CCCN(CCC)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000316964461 484139675 /nfs/dbraw/zinc/13/96/75/484139675.db2.gz HWGMJBSVWVDHDM-LLVKDONJSA-N -1 0 356.466 -0.073 20 0 FBADRM CCCN(CCC)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000316964468 484139875 /nfs/dbraw/zinc/13/98/75/484139875.db2.gz HWGMJBSVWVDHDM-NSHDSACASA-N -1 0 356.466 -0.073 20 0 FBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cncc(F)c1 ZINC000317169030 845551975 /nfs/dbraw/zinc/55/19/75/845551975.db2.gz WBGGIKPNCYRRAT-SECBINFHSA-N -1 0 352.365 -0.517 20 0 FBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cncc(F)c1 ZINC000317169032 845551691 /nfs/dbraw/zinc/55/16/91/845551691.db2.gz WBGGIKPNCYRRAT-VIFPVBQESA-N -1 0 352.365 -0.517 20 0 FBADRM C[C@@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])C1 ZINC000317186725 484153229 /nfs/dbraw/zinc/15/32/29/484153229.db2.gz YFCDTHOQUNBZHF-GHMZBOCLSA-N -1 0 354.450 -0.463 20 0 FBADRM C[C@@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])C1 ZINC000317186730 484153027 /nfs/dbraw/zinc/15/30/27/484153027.db2.gz YFCDTHOQUNBZHF-MNOVXSKESA-N -1 0 354.450 -0.463 20 0 FBADRM C[C@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])C1 ZINC000317186733 484152808 /nfs/dbraw/zinc/15/28/08/484152808.db2.gz YFCDTHOQUNBZHF-QWRGUYRKSA-N -1 0 354.450 -0.463 20 0 FBADRM C[C@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])C1 ZINC000317186736 484152401 /nfs/dbraw/zinc/15/24/01/484152401.db2.gz YFCDTHOQUNBZHF-WDEREUQCSA-N -1 0 354.450 -0.463 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC000317545953 484588023 /nfs/dbraw/zinc/58/80/23/484588023.db2.gz XJHFDEZDAQFAAF-BDAKNGLRSA-N -1 0 350.418 -0.018 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@H](C)C(=O)[O-])cc1 ZINC000317545954 484588317 /nfs/dbraw/zinc/58/83/17/484588317.db2.gz XJHFDEZDAQFAAF-DTWKUNHWSA-N -1 0 350.418 -0.018 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-])cc1 ZINC000317545955 484588083 /nfs/dbraw/zinc/58/80/83/484588083.db2.gz XJHFDEZDAQFAAF-IUCAKERBSA-N -1 0 350.418 -0.018 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC000317545956 484588225 /nfs/dbraw/zinc/58/82/25/484588225.db2.gz XJHFDEZDAQFAAF-RKDXNWHRSA-N -1 0 350.418 -0.018 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)CC(=O)[O-] ZINC000317990958 483883115 /nfs/dbraw/zinc/88/31/15/483883115.db2.gz ALWUIYDRSLSTOY-MRVPVSSYSA-N -1 0 352.390 -0.898 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)CC(=O)[O-] ZINC000317990960 483883124 /nfs/dbraw/zinc/88/31/24/483883124.db2.gz ALWUIYDRSLSTOY-QMMMGPOBSA-N -1 0 352.390 -0.898 20 0 FBADRM COc1cc(C(=O)[O-])ccc1S(=O)(=O)NCCNS(C)(=O)=O ZINC000318244738 484035352 /nfs/dbraw/zinc/03/53/52/484035352.db2.gz AIWCSQHTIHWMCL-UHFFFAOYSA-N -1 0 352.390 -0.779 20 0 FBADRM CN(C)S(=O)(=O)CCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000318448296 845635204 /nfs/dbraw/zinc/63/52/04/845635204.db2.gz AJFULLUREXMVJY-UHFFFAOYSA-N -1 0 354.381 -0.306 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000318473991 600083785 /nfs/dbraw/zinc/08/37/85/600083785.db2.gz KFWZGOFZDPMRMV-UHFFFAOYSA-N -1 0 354.381 -0.259 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000318479005 600083893 /nfs/dbraw/zinc/08/38/93/600083893.db2.gz LDCWKIXHUNMOFH-UHFFFAOYSA-N -1 0 350.418 -0.089 20 0 FBADRM CS(=O)(=O)NCCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000318513679 601213406 /nfs/dbraw/zinc/21/34/06/601213406.db2.gz QFMMKFUZJUXDQZ-UHFFFAOYSA-N -1 0 354.381 -0.259 20 0 FBADRM CS(=O)(=O)NCCCNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000318778992 658897113 /nfs/dbraw/zinc/89/71/13/658897113.db2.gz IABODPUXRBTVEX-UHFFFAOYSA-N -1 0 352.390 -0.692 20 0 FBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCCCNS(C)(=O)=O ZINC000318793220 599931681 /nfs/dbraw/zinc/93/16/81/599931681.db2.gz KYNDAUSNUNTVTJ-UHFFFAOYSA-N -1 0 350.418 -0.089 20 0 FBADRM CS(=O)(=O)NCCCNS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000318795659 600222442 /nfs/dbraw/zinc/22/24/42/600222442.db2.gz LJMSKFFHCRLZTH-UHFFFAOYSA-N -1 0 350.418 -0.257 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000318805652 600744549 /nfs/dbraw/zinc/74/45/49/600744549.db2.gz AMXVIJWPJSSEAZ-UHFFFAOYSA-N -1 0 350.418 -0.089 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000318885584 600083958 /nfs/dbraw/zinc/08/39/58/600083958.db2.gz GFVZKUZSCBEUNV-UHFFFAOYSA-N -1 0 350.418 -0.257 20 0 FBADRM CS(=O)(=O)NCCCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000318898258 600646913 /nfs/dbraw/zinc/64/69/13/600646913.db2.gz JAKWIKJWUBDDOZ-UHFFFAOYSA-N -1 0 350.418 -0.469 20 0 FBADRM Cc1cc(S(=O)(=O)NCCCNS(C)(=O)=O)ccc1C(=O)[O-] ZINC000318899205 600702027 /nfs/dbraw/zinc/70/20/27/600702027.db2.gz PPODDSXMNUCUHV-UHFFFAOYSA-N -1 0 350.418 -0.089 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000318947510 600781741 /nfs/dbraw/zinc/78/17/41/600781741.db2.gz TXCXZDLEINXYQI-UHFFFAOYSA-N -1 0 350.418 -0.089 20 0 FBADRM N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])s1 ZINC000318954551 483884377 /nfs/dbraw/zinc/88/43/77/483884377.db2.gz VFABYYSFCCPJAR-MRVPVSSYSA-N -1 0 364.426 -0.118 20 0 FBADRM N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])s1 ZINC000318954552 483884299 /nfs/dbraw/zinc/88/42/99/483884299.db2.gz VFABYYSFCCPJAR-QMMMGPOBSA-N -1 0 364.426 -0.118 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])c1 ZINC000319408221 484275179 /nfs/dbraw/zinc/27/51/79/484275179.db2.gz GJOHVCUIBDPMLM-MRVPVSSYSA-N -1 0 358.344 -0.279 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])c1 ZINC000319408225 484275011 /nfs/dbraw/zinc/27/50/11/484275011.db2.gz GJOHVCUIBDPMLM-QMMMGPOBSA-N -1 0 358.344 -0.279 20 0 FBADRM CCNS(=O)(=O)CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000319449525 658690832 /nfs/dbraw/zinc/69/08/32/658690832.db2.gz JPVSIBCDXSKSGA-UHFFFAOYSA-N -1 0 355.369 -0.049 20 0 FBADRM O=C([O-])CCOc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000319542684 483564868 /nfs/dbraw/zinc/56/48/68/483564868.db2.gz CIYOPHALMAHKHK-UHFFFAOYSA-N -1 0 363.413 -0.041 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c(CC(=O)[O-])c1 ZINC000319548700 483564987 /nfs/dbraw/zinc/56/49/87/483564987.db2.gz NIJLQIPSBQIMOZ-JTQLQIEISA-N -1 0 363.413 -0.212 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c(CC(=O)[O-])c1 ZINC000319548701 483564255 /nfs/dbraw/zinc/56/42/55/483564255.db2.gz NIJLQIPSBQIMOZ-SNVBAGLBSA-N -1 0 363.413 -0.212 20 0 FBADRM CCOc1ccc(S(=O)(=O)NCCNS(C)(=O)=O)cc1C(=O)[O-] ZINC000319580666 484591845 /nfs/dbraw/zinc/59/18/45/484591845.db2.gz SLIIJPMFQAADSR-UHFFFAOYSA-N -1 0 366.417 -0.389 20 0 FBADRM COC(=O)c1ccc(Cl)c(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000319588289 658700865 /nfs/dbraw/zinc/70/08/65/658700865.db2.gz UOCJZBJCGIJHAK-UHFFFAOYSA-N -1 0 364.763 -0.394 20 0 FBADRM Cn1cc(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)cc1C(=O)[O-] ZINC000319606859 483568654 /nfs/dbraw/zinc/56/86/54/483568654.db2.gz YCKRPZQGVCVKEV-UHFFFAOYSA-N -1 0 365.433 -0.574 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)cn1 ZINC000319758630 600697912 /nfs/dbraw/zinc/69/79/12/600697912.db2.gz ZXBCEDPVFFFRLV-UHFFFAOYSA-N -1 0 356.326 -0.164 20 0 FBADRM NS(=O)(=O)c1ccc(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000319771298 600686998 /nfs/dbraw/zinc/68/69/98/600686998.db2.gz ADALVYDTHFGNEE-UHFFFAOYSA-N -1 0 359.385 -0.161 20 0 FBADRM COc1ccc(S(=O)(=O)NCCNS(C)(=O)=O)c(CC(=O)[O-])c1 ZINC000319775779 484591970 /nfs/dbraw/zinc/59/19/70/484591970.db2.gz GEEUGJDPWRRERA-UHFFFAOYSA-N -1 0 366.417 -0.850 20 0 FBADRM CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000319912374 484911176 /nfs/dbraw/zinc/91/11/76/484911176.db2.gz AXQHRANCBXATAQ-JTQLQIEISA-N -1 0 363.413 -0.042 20 0 FBADRM CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000319912379 484910606 /nfs/dbraw/zinc/91/06/06/484910606.db2.gz AXQHRANCBXATAQ-SNVBAGLBSA-N -1 0 363.413 -0.042 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1 ZINC000319925103 484910835 /nfs/dbraw/zinc/91/08/35/484910835.db2.gz AMOZIFDJVBNLLA-GHMZBOCLSA-N -1 0 350.393 -0.974 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])CC1 ZINC000319925107 484909944 /nfs/dbraw/zinc/90/99/44/484909944.db2.gz AMOZIFDJVBNLLA-MNOVXSKESA-N -1 0 350.393 -0.974 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)c(CC(=O)[O-])c1 ZINC000319946665 483403780 /nfs/dbraw/zinc/40/37/80/483403780.db2.gz BVRNCHRQJGPILM-UHFFFAOYSA-N -1 0 363.413 -0.259 20 0 FBADRM NS(=O)(=O)c1cccc(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000319985980 600705688 /nfs/dbraw/zinc/70/56/88/600705688.db2.gz KEIIHCXIQYCFJW-UHFFFAOYSA-N -1 0 359.385 -0.161 20 0 FBADRM CCS(=O)(=O)CCNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000320017428 599774651 /nfs/dbraw/zinc/77/46/51/599774651.db2.gz VFTIFHPBCUUPSV-UHFFFAOYSA-N -1 0 351.402 -0.137 20 0 FBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)CSCC(=O)N1CCOCC1 ZINC000320076194 600697380 /nfs/dbraw/zinc/69/73/80/600697380.db2.gz VKHHHTYNBYYANC-LLVKDONJSA-N -1 0 362.473 -0.003 20 0 FBADRM O=C([O-])C[C@H]1CSCCN1C(=O)CSCC(=O)N1CCOCC1 ZINC000320076197 600697248 /nfs/dbraw/zinc/69/72/48/600697248.db2.gz VKHHHTYNBYYANC-NSHDSACASA-N -1 0 362.473 -0.003 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000320154897 600650502 /nfs/dbraw/zinc/65/05/02/600650502.db2.gz HERIGCKHOUBNRD-UHFFFAOYSA-N -1 0 350.418 -0.469 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000320196784 601240212 /nfs/dbraw/zinc/24/02/12/601240212.db2.gz NQKWOCQTGHIGDU-UHFFFAOYSA-N -1 0 354.381 -0.259 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCS(=O)(=O)N(C)C ZINC000320197983 845716621 /nfs/dbraw/zinc/71/66/21/845716621.db2.gz NRUMRNIBUKFFCV-UHFFFAOYSA-N -1 0 350.418 -0.137 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000320212992 659030171 /nfs/dbraw/zinc/03/01/71/659030171.db2.gz QBFLSGWIADKMNO-UHFFFAOYSA-N -1 0 354.406 -0.188 20 0 FBADRM CS(=O)(=O)NCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000320215213 658903260 /nfs/dbraw/zinc/90/32/60/658903260.db2.gz QLRKVMZXUIPOKH-UHFFFAOYSA-N -1 0 354.381 -0.259 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2C[C@H](OC)C[C@@H]2C(=O)[O-])CC1 ZINC000320274787 244664415 /nfs/dbraw/zinc/66/44/15/244664415.db2.gz FTSHJLRJUBQOGN-GHMZBOCLSA-N -1 0 350.393 -0.710 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])CC1 ZINC000320274791 483930471 /nfs/dbraw/zinc/93/04/71/483930471.db2.gz FTSHJLRJUBQOGN-MNOVXSKESA-N -1 0 350.393 -0.710 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])CC1 ZINC000320274794 244662936 /nfs/dbraw/zinc/66/29/36/244662936.db2.gz FTSHJLRJUBQOGN-QWRGUYRKSA-N -1 0 350.393 -0.710 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2C[C@@H](OC)C[C@@H]2C(=O)[O-])CC1 ZINC000320274797 483930404 /nfs/dbraw/zinc/93/04/04/483930404.db2.gz FTSHJLRJUBQOGN-WDEREUQCSA-N -1 0 350.393 -0.710 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000320280682 601588977 /nfs/dbraw/zinc/58/89/77/601588977.db2.gz OFFNYMZTTWMYCQ-CABZTGNLSA-N -1 0 362.429 -0.064 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000320280683 601589094 /nfs/dbraw/zinc/58/90/94/601589094.db2.gz OFFNYMZTTWMYCQ-JOYOIKCWSA-N -1 0 362.429 -0.064 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000320280684 601588942 /nfs/dbraw/zinc/58/89/42/601588942.db2.gz OFFNYMZTTWMYCQ-SKDRFNHKSA-N -1 0 362.429 -0.064 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](CCOC)C(=O)[O-])C1 ZINC000320319550 484923075 /nfs/dbraw/zinc/92/30/75/484923075.db2.gz WFPCGXWTFKWCSY-GHMZBOCLSA-N -1 0 352.409 -0.414 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](CCOC)C(=O)[O-])C1 ZINC000320319553 484922926 /nfs/dbraw/zinc/92/29/26/484922926.db2.gz WFPCGXWTFKWCSY-MNOVXSKESA-N -1 0 352.409 -0.414 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H](CCOC)C(=O)[O-])C1 ZINC000320319556 484923420 /nfs/dbraw/zinc/92/34/20/484923420.db2.gz WFPCGXWTFKWCSY-QWRGUYRKSA-N -1 0 352.409 -0.414 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@H](CCOC)C(=O)[O-])C1 ZINC000320319558 484922973 /nfs/dbraw/zinc/92/29/73/484922973.db2.gz WFPCGXWTFKWCSY-WDEREUQCSA-N -1 0 352.409 -0.414 20 0 FBADRM NS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000320324960 600233986 /nfs/dbraw/zinc/23/39/86/600233986.db2.gz FVOBEDKGUCHKSW-UHFFFAOYSA-N -1 0 363.417 -0.964 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@H](CCOC)C(=O)[O-])CC1 ZINC000320329098 484923458 /nfs/dbraw/zinc/92/34/58/484923458.db2.gz YBTQVNDCJBVCCE-LLVKDONJSA-N -1 0 352.409 -0.414 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](CCOC)C(=O)[O-])CC1 ZINC000320329100 484922834 /nfs/dbraw/zinc/92/28/34/484922834.db2.gz YBTQVNDCJBVCCE-NSHDSACASA-N -1 0 352.409 -0.414 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1 ZINC000320361387 484924197 /nfs/dbraw/zinc/92/41/97/484924197.db2.gz RMZLOAUULNGONP-GMTAPVOTSA-N -1 0 350.393 -0.974 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])C1 ZINC000320361393 484924450 /nfs/dbraw/zinc/92/44/50/484924450.db2.gz RMZLOAUULNGONP-MXWKQRLJSA-N -1 0 350.393 -0.974 20 0 FBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 ZINC000320384177 484924056 /nfs/dbraw/zinc/92/40/56/484924056.db2.gz WBPCFJZYHVROPP-KCJUWKMLSA-N -1 0 364.401 -0.803 20 0 FBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000320396429 484924738 /nfs/dbraw/zinc/92/47/38/484924738.db2.gz FDUSTRYSBSJOHJ-UHFFFAOYSA-N -1 0 362.429 -0.041 20 0 FBADRM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000320399173 244664066 /nfs/dbraw/zinc/66/40/66/244664066.db2.gz YYKOAXQLPMPNHO-BXKDBHETSA-N -1 0 363.413 -0.047 20 0 FBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000320399174 244662563 /nfs/dbraw/zinc/66/25/63/244662563.db2.gz YYKOAXQLPMPNHO-CABZTGNLSA-N -1 0 363.413 -0.047 20 0 FBADRM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000320399175 244666583 /nfs/dbraw/zinc/66/65/83/244666583.db2.gz YYKOAXQLPMPNHO-JOYOIKCWSA-N -1 0 363.413 -0.047 20 0 FBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000320399176 536764641 /nfs/dbraw/zinc/76/46/41/536764641.db2.gz YYKOAXQLPMPNHO-SKDRFNHKSA-N -1 0 363.413 -0.047 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)cs1 ZINC000320400546 600702496 /nfs/dbraw/zinc/70/24/96/600702496.db2.gz ACWSWJJYYKIAIB-UHFFFAOYSA-N -1 0 359.385 -0.191 20 0 FBADRM NS(=O)(=O)N1CCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000320461845 600233996 /nfs/dbraw/zinc/23/39/96/600233996.db2.gz KQJXBANOURHWMV-UHFFFAOYSA-N -1 0 363.417 -0.964 20 0 FBADRM CCNC(=O)CN1CCN(S(=O)(=O)c2csc(C(=O)[O-])c2)CC1 ZINC000320463964 484055020 /nfs/dbraw/zinc/05/50/20/484055020.db2.gz YFOOJSOKIOWJTJ-UHFFFAOYSA-N -1 0 361.445 -0.111 20 0 FBADRM CN(C)C(=O)CN1CCN(S(=O)(=O)c2csc(C(=O)[O-])c2)CC1 ZINC000320658155 601916648 /nfs/dbraw/zinc/91/66/48/601916648.db2.gz JQMWOFMPUFSJEM-UHFFFAOYSA-N -1 0 361.445 -0.159 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000320670133 600083826 /nfs/dbraw/zinc/08/38/26/600083826.db2.gz NAUZBJHRPHTWIV-UHFFFAOYSA-N -1 0 350.418 -0.089 20 0 FBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000320708769 484082750 /nfs/dbraw/zinc/08/27/50/484082750.db2.gz AMIFJEPMPNGVHM-GHMZBOCLSA-N -1 0 368.477 -0.251 20 0 FBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000320708770 483896668 /nfs/dbraw/zinc/89/66/68/483896668.db2.gz AMIFJEPMPNGVHM-MNOVXSKESA-N -1 0 368.477 -0.251 20 0 FBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000320708771 484082329 /nfs/dbraw/zinc/08/23/29/484082329.db2.gz AMIFJEPMPNGVHM-QWRGUYRKSA-N -1 0 368.477 -0.251 20 0 FBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000320708772 484082413 /nfs/dbraw/zinc/08/24/13/484082413.db2.gz AMIFJEPMPNGVHM-WDEREUQCSA-N -1 0 368.477 -0.251 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CC1 ZINC000320750919 659890627 /nfs/dbraw/zinc/89/06/27/659890627.db2.gz AYJSNAVSOYWORS-UHFFFAOYSA-N -1 0 364.401 -0.644 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC000320889523 601397753 /nfs/dbraw/zinc/39/77/53/601397753.db2.gz DNPIDNDFVSNNGV-LLVKDONJSA-N -1 0 350.393 -0.708 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC000320889526 601397780 /nfs/dbraw/zinc/39/77/80/601397780.db2.gz DNPIDNDFVSNNGV-NSHDSACASA-N -1 0 350.393 -0.708 20 0 FBADRM CS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000320915804 599770459 /nfs/dbraw/zinc/77/04/59/599770459.db2.gz BGABCLYFJJGZRM-SECBINFHSA-N -1 0 366.417 -0.072 20 0 FBADRM CS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000320915807 599770413 /nfs/dbraw/zinc/77/04/13/599770413.db2.gz BGABCLYFJJGZRM-VIFPVBQESA-N -1 0 366.417 -0.072 20 0 FBADRM CCn1cc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1C(=O)[O-] ZINC000320939910 483409711 /nfs/dbraw/zinc/40/97/11/483409711.db2.gz DMTORGOYXJRAOU-UHFFFAOYSA-N -1 0 365.433 -0.528 20 0 FBADRM O=C([O-])c1csc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000320967945 659904914 /nfs/dbraw/zinc/90/49/14/659904914.db2.gz JSLXNZIYSLZIOK-UHFFFAOYSA-N -1 0 359.385 -0.191 20 0 FBADRM CCN(CCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1)S(C)(=O)=O ZINC000320979432 484469813 /nfs/dbraw/zinc/46/98/13/484469813.db2.gz LDGRLGIVGLIANL-UHFFFAOYSA-N -1 0 371.481 -0.711 20 0 FBADRM CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000320985788 484484525 /nfs/dbraw/zinc/48/45/25/484484525.db2.gz LVNRBDOGUVJZJY-UHFFFAOYSA-N -1 0 361.445 -0.111 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000320995772 483410886 /nfs/dbraw/zinc/41/08/86/483410886.db2.gz PUIUMJLUCFUSRR-SECBINFHSA-N -1 0 364.401 -0.802 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000320995774 483411020 /nfs/dbraw/zinc/41/10/20/483411020.db2.gz PUIUMJLUCFUSRR-VIFPVBQESA-N -1 0 364.401 -0.802 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000321072340 484504615 /nfs/dbraw/zinc/50/46/15/484504615.db2.gz CNOINSUTAJOHCY-GFCCVEGCSA-N -1 0 364.401 -0.883 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000321072341 483412102 /nfs/dbraw/zinc/41/21/02/483412102.db2.gz CNOINSUTAJOHCY-LBPRGKRZSA-N -1 0 364.401 -0.883 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000321109845 484504441 /nfs/dbraw/zinc/50/44/41/484504441.db2.gz YPWWMHCKFSGEKP-UHFFFAOYSA-N -1 0 367.405 -0.910 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000321134503 484935941 /nfs/dbraw/zinc/93/59/41/484935941.db2.gz MVFIWBRZNSWYSD-LLVKDONJSA-N -1 0 364.401 -0.931 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000321134506 484935330 /nfs/dbraw/zinc/93/53/30/484935330.db2.gz MVFIWBRZNSWYSD-NSHDSACASA-N -1 0 364.401 -0.931 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000321189089 484937651 /nfs/dbraw/zinc/93/76/51/484937651.db2.gz DUIDKICKROANPS-UHFFFAOYSA-N -1 0 366.417 -0.011 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000321197027 484937602 /nfs/dbraw/zinc/93/76/02/484937602.db2.gz VQRSIGCAQIUFNK-LLVKDONJSA-N -1 0 350.393 -0.708 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000321197030 484937692 /nfs/dbraw/zinc/93/76/92/484937692.db2.gz VQRSIGCAQIUFNK-NSHDSACASA-N -1 0 350.393 -0.708 20 0 FBADRM CS(=O)(=O)c1ccc(N2CCO[C@@H](C(=O)[O-])C2)c(S(C)(=O)=O)c1 ZINC000321221869 599959410 /nfs/dbraw/zinc/95/94/10/599959410.db2.gz ZPSAEUHPFMADEE-LLVKDONJSA-N -1 0 363.413 -0.217 20 0 FBADRM CS(=O)(=O)c1ccc(N2CCO[C@H](C(=O)[O-])C2)c(S(C)(=O)=O)c1 ZINC000321221870 599959736 /nfs/dbraw/zinc/95/97/36/599959736.db2.gz ZPSAEUHPFMADEE-NSHDSACASA-N -1 0 363.413 -0.217 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000321233197 659910443 /nfs/dbraw/zinc/91/04/43/659910443.db2.gz MXUJARABVJOHRF-UHFFFAOYSA-N -1 0 366.417 -0.011 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)cc1C(=O)[O-] ZINC000321258509 659919858 /nfs/dbraw/zinc/91/98/58/659919858.db2.gz YBBUAMGRLPVQAQ-UHFFFAOYSA-N -1 0 365.433 -0.574 20 0 FBADRM CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000321289839 600703619 /nfs/dbraw/zinc/70/36/19/600703619.db2.gz JYLQIITXBZJKJO-JTQLQIEISA-N -1 0 363.417 -0.363 20 0 FBADRM CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000321289841 600703976 /nfs/dbraw/zinc/70/39/76/600703976.db2.gz JYLQIITXBZJKJO-SNVBAGLBSA-N -1 0 363.417 -0.363 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)CC1 ZINC000321297753 483852308 /nfs/dbraw/zinc/85/23/08/483852308.db2.gz LLKVPIZPOYTIQF-CYBMUJFWSA-N -1 0 350.393 -0.660 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000321297756 483851960 /nfs/dbraw/zinc/85/19/60/483851960.db2.gz LLKVPIZPOYTIQF-ZDUSSCGKSA-N -1 0 350.393 -0.660 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])C1 ZINC000321323253 484940522 /nfs/dbraw/zinc/94/05/22/484940522.db2.gz RMZLOAUULNGONP-AXFHLTTASA-N -1 0 350.393 -0.974 20 0 FBADRM CCS(=O)(=O)NC1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000321333447 600709394 /nfs/dbraw/zinc/70/93/94/600709394.db2.gz UOAFRNGEXYAFFP-UHFFFAOYSA-N -1 0 365.433 -0.195 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)NCCN2CCC(O)CC2)cc1 ZINC000321375082 845778442 /nfs/dbraw/zinc/77/84/42/845778442.db2.gz ZUXBNJVWJXTZSK-UHFFFAOYSA-N -1 0 358.416 -0.115 20 0 FBADRM COCCN(CCC(=O)OC)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000321433785 600651464 /nfs/dbraw/zinc/65/14/64/600651464.db2.gz CSPHAOGWANDSBM-UHFFFAOYSA-N -1 0 352.409 -0.461 20 0 FBADRM COc1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])c1 ZINC000321519385 484597054 /nfs/dbraw/zinc/59/70/54/484597054.db2.gz HBAFLRBWZCHUIR-JTQLQIEISA-N -1 0 363.413 -0.042 20 0 FBADRM COc1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])c1 ZINC000321519386 484596691 /nfs/dbraw/zinc/59/66/91/484596691.db2.gz HBAFLRBWZCHUIR-SNVBAGLBSA-N -1 0 363.413 -0.042 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(CCOC)CC(=O)[O-])C1 ZINC000321587655 484969848 /nfs/dbraw/zinc/96/98/48/484969848.db2.gz PMZXTPFOKOYXHW-LLVKDONJSA-N -1 0 352.409 -0.461 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(CCOC)CC(=O)[O-])C1 ZINC000321587665 484969419 /nfs/dbraw/zinc/96/94/19/484969419.db2.gz PMZXTPFOKOYXHW-NSHDSACASA-N -1 0 352.409 -0.461 20 0 FBADRM CCN(CCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)S(C)(=O)=O ZINC000321643950 484970829 /nfs/dbraw/zinc/97/08/29/484970829.db2.gz PTWQKAJBLSBREC-UHFFFAOYSA-N -1 0 367.449 -0.327 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N(CCOC)CC(=O)[O-])CC1 ZINC000321652346 484970917 /nfs/dbraw/zinc/97/09/17/484970917.db2.gz XTNXOGFQSGPJRK-UHFFFAOYSA-N -1 0 352.409 -0.461 20 0 FBADRM CS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000321658472 600708590 /nfs/dbraw/zinc/70/85/90/600708590.db2.gz RRDRLPQAIHNXGW-SECBINFHSA-N -1 0 365.433 -0.337 20 0 FBADRM CS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000321658481 600708538 /nfs/dbraw/zinc/70/85/38/600708538.db2.gz RRDRLPQAIHNXGW-VIFPVBQESA-N -1 0 365.433 -0.337 20 0 FBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000321691300 483631113 /nfs/dbraw/zinc/63/11/13/483631113.db2.gz YGHQBSGKWYAMLJ-JTQLQIEISA-N -1 0 364.449 -0.033 20 0 FBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000321691302 483631647 /nfs/dbraw/zinc/63/16/47/483631647.db2.gz YGHQBSGKWYAMLJ-SNVBAGLBSA-N -1 0 364.449 -0.033 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])CC1 ZINC000321702770 484535550 /nfs/dbraw/zinc/53/55/50/484535550.db2.gz DLFRXUVGVKQIMW-LLVKDONJSA-N -1 0 350.393 -0.708 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])CC1 ZINC000321702773 484535094 /nfs/dbraw/zinc/53/50/94/484535094.db2.gz DLFRXUVGVKQIMW-NSHDSACASA-N -1 0 350.393 -0.708 20 0 FBADRM CS(=O)(=O)NCCNS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000321749400 484978027 /nfs/dbraw/zinc/97/80/27/484978027.db2.gz ONGJPESSZKXKKV-UHFFFAOYSA-N -1 0 362.429 -0.370 20 0 FBADRM CCCS(=O)(=O)N1CCC(NS(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000321750596 601254774 /nfs/dbraw/zinc/25/47/74/601254774.db2.gz AWICAMQIYVQTIF-UHFFFAOYSA-N -1 0 371.481 -0.569 20 0 FBADRM CCN(CC)C(=O)N1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000321750900 484597625 /nfs/dbraw/zinc/59/76/25/484597625.db2.gz AYSDDJGKMPPAOF-UHFFFAOYSA-N -1 0 350.441 -0.283 20 0 FBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])C1 ZINC000321772232 484979175 /nfs/dbraw/zinc/97/91/75/484979175.db2.gz PUIYVSMZAZSQAX-GRYCIOLGSA-N -1 0 368.477 -0.217 20 0 FBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])C1 ZINC000321772233 484980011 /nfs/dbraw/zinc/98/00/11/484980011.db2.gz PUIYVSMZAZSQAX-IJLUTSLNSA-N -1 0 368.477 -0.217 20 0 FBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])C1 ZINC000321772234 484979829 /nfs/dbraw/zinc/97/98/29/484979829.db2.gz PUIYVSMZAZSQAX-TUAOUCFPSA-N -1 0 368.477 -0.217 20 0 FBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])C1 ZINC000321772235 484979247 /nfs/dbraw/zinc/97/92/47/484979247.db2.gz PUIYVSMZAZSQAX-UTUOFQBUSA-N -1 0 368.477 -0.217 20 0 FBADRM CC(C)(CNC(=O)NCC1(C(=O)[O-])CCOCC1)NS(C)(=O)=O ZINC000321802397 484597913 /nfs/dbraw/zinc/59/79/13/484597913.db2.gz YNHKTEFTHVLZAE-UHFFFAOYSA-N -1 0 351.425 -0.505 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1 ZINC000321803516 484536916 /nfs/dbraw/zinc/53/69/16/484536916.db2.gz XSUXCSSTXNLNHE-JTQLQIEISA-N -1 0 363.413 -0.046 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])cc1 ZINC000321803518 244664382 /nfs/dbraw/zinc/66/43/82/244664382.db2.gz XSUXCSSTXNLNHE-SNVBAGLBSA-N -1 0 363.413 -0.046 20 0 FBADRM CS(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000321813109 600706682 /nfs/dbraw/zinc/70/66/82/600706682.db2.gz AVUQOYRPVLDFFL-SECBINFHSA-N -1 0 365.433 -0.195 20 0 FBADRM CS(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000321813111 600706276 /nfs/dbraw/zinc/70/62/76/600706276.db2.gz AVUQOYRPVLDFFL-VIFPVBQESA-N -1 0 365.433 -0.195 20 0 FBADRM COC(=O)C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1 ZINC000321834593 601397756 /nfs/dbraw/zinc/39/77/56/601397756.db2.gz HCDYFGALWLWLAR-LLVKDONJSA-N -1 0 350.393 -0.708 20 0 FBADRM COC(=O)C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1 ZINC000321834595 601397763 /nfs/dbraw/zinc/39/77/63/601397763.db2.gz HCDYFGALWLWLAR-NSHDSACASA-N -1 0 350.393 -0.708 20 0 FBADRM CCN(C(=O)CN1CCSC[C@@H]1CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000321882925 601017971 /nfs/dbraw/zinc/01/79/71/601017971.db2.gz CHOXGCNKIAARIQ-NEPJUHHUSA-N -1 0 364.489 -0.086 20 0 FBADRM CCN(C(=O)CN1CCSC[C@H]1CC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000321882927 601017255 /nfs/dbraw/zinc/01/72/55/601017255.db2.gz CHOXGCNKIAARIQ-NWDGAFQWSA-N -1 0 364.489 -0.086 20 0 FBADRM CCN(C(=O)CN1CCSC[C@@H]1CC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000321882929 601017950 /nfs/dbraw/zinc/01/79/50/601017950.db2.gz CHOXGCNKIAARIQ-RYUDHWBXSA-N -1 0 364.489 -0.086 20 0 FBADRM CCN(C(=O)CN1CCSC[C@H]1CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000321882931 601017765 /nfs/dbraw/zinc/01/77/65/601017765.db2.gz CHOXGCNKIAARIQ-VXGBXAGGSA-N -1 0 364.489 -0.086 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000321925736 601397324 /nfs/dbraw/zinc/39/73/24/601397324.db2.gz JCLCJJHUNUGSPV-GHMZBOCLSA-N -1 0 350.393 -0.566 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000321925737 601397204 /nfs/dbraw/zinc/39/72/04/601397204.db2.gz JCLCJJHUNUGSPV-MNOVXSKESA-N -1 0 350.393 -0.566 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000321925738 601397367 /nfs/dbraw/zinc/39/73/67/601397367.db2.gz JCLCJJHUNUGSPV-QWRGUYRKSA-N -1 0 350.393 -0.566 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000321925739 601397213 /nfs/dbraw/zinc/39/72/13/601397213.db2.gz JCLCJJHUNUGSPV-WDEREUQCSA-N -1 0 350.393 -0.566 20 0 FBADRM COCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000321932977 485240306 /nfs/dbraw/zinc/24/03/06/485240306.db2.gz CRTMSCANWKNDHR-SECBINFHSA-N -1 0 366.417 -0.463 20 0 FBADRM COCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000321932981 485240498 /nfs/dbraw/zinc/24/04/98/485240498.db2.gz CRTMSCANWKNDHR-VIFPVBQESA-N -1 0 366.417 -0.463 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1C(=O)[O-] ZINC000321941675 484542300 /nfs/dbraw/zinc/54/23/00/484542300.db2.gz FGHPMQGPDVQBNG-UHFFFAOYSA-N -1 0 362.429 -0.041 20 0 FBADRM Cc1oc(C)c(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c1C(=O)[O-] ZINC000321964191 483934457 /nfs/dbraw/zinc/93/44/57/483934457.db2.gz JIYRAICGOCYGEG-UHFFFAOYSA-N -1 0 366.417 -0.139 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CC1 ZINC000321969451 659956634 /nfs/dbraw/zinc/95/66/34/659956634.db2.gz KDNFPIKYMXPCOF-UHFFFAOYSA-N -1 0 366.392 -0.210 20 0 FBADRM COC(=O)c1sccc1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000321973713 483950556 /nfs/dbraw/zinc/95/05/56/483950556.db2.gz SDOCKLCLTPHBKU-UHFFFAOYSA-N -1 0 360.373 -0.311 20 0 FBADRM COCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000321996508 484087851 /nfs/dbraw/zinc/08/78/51/484087851.db2.gz PUZPJHUDGWMSNG-SECBINFHSA-N -1 0 367.401 -0.198 20 0 FBADRM COCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000321996509 484086894 /nfs/dbraw/zinc/08/68/94/484086894.db2.gz PUZPJHUDGWMSNG-VIFPVBQESA-N -1 0 367.401 -0.198 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC000322012499 484188837 /nfs/dbraw/zinc/18/88/37/484188837.db2.gz SQGPFDFBDUTEHS-UHFFFAOYSA-N -1 0 362.429 -0.420 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000322029475 483724693 /nfs/dbraw/zinc/72/46/93/483724693.db2.gz WUPJRWYBJJYYBH-UHFFFAOYSA-N -1 0 362.429 -0.041 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000322030287 483724760 /nfs/dbraw/zinc/72/47/60/483724760.db2.gz WYPRFGFUKNSNNL-UHFFFAOYSA-N -1 0 362.429 -0.208 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000322049171 845806413 /nfs/dbraw/zinc/80/64/13/845806413.db2.gz AMZLNADVJRHLMU-JTQLQIEISA-N -1 0 363.413 -0.137 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 ZINC000322049173 845806187 /nfs/dbraw/zinc/80/61/87/845806187.db2.gz AMZLNADVJRHLMU-SNVBAGLBSA-N -1 0 363.413 -0.137 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000322079335 600770045 /nfs/dbraw/zinc/77/00/45/600770045.db2.gz HLJDIVICVUVSFV-SECBINFHSA-N -1 0 365.433 -0.574 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000322079338 600770154 /nfs/dbraw/zinc/77/01/54/600770154.db2.gz HLJDIVICVUVSFV-VIFPVBQESA-N -1 0 365.433 -0.574 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000322164813 484599139 /nfs/dbraw/zinc/59/91/39/484599139.db2.gz KPXRANQXNKEPNB-UHFFFAOYSA-N -1 0 357.314 -0.236 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC([C@@H](C)C(=O)[O-])C2)cc1 ZINC000322196996 485020668 /nfs/dbraw/zinc/02/06/68/485020668.db2.gz DCIAWQWJAFQVTC-SECBINFHSA-N -1 0 362.429 -0.064 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC([C@H](C)C(=O)[O-])C2)cc1 ZINC000322196999 485020786 /nfs/dbraw/zinc/02/07/86/485020786.db2.gz DCIAWQWJAFQVTC-VIFPVBQESA-N -1 0 362.429 -0.064 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000322199813 485019535 /nfs/dbraw/zinc/01/95/35/485019535.db2.gz QTLOHALOAJDFAS-LLVKDONJSA-N -1 0 364.401 -0.931 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000322199815 485019200 /nfs/dbraw/zinc/01/92/00/485019200.db2.gz QTLOHALOAJDFAS-NSHDSACASA-N -1 0 364.401 -0.931 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])C1 ZINC000322230634 485077695 /nfs/dbraw/zinc/07/76/95/485077695.db2.gz ZNMBNRSJWBMNJT-GHMZBOCLSA-N -1 0 350.393 -0.708 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])C1 ZINC000322230635 485077577 /nfs/dbraw/zinc/07/75/77/485077577.db2.gz ZNMBNRSJWBMNJT-MNOVXSKESA-N -1 0 350.393 -0.708 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])C1 ZINC000322230636 485079327 /nfs/dbraw/zinc/07/93/27/485079327.db2.gz ZNMBNRSJWBMNJT-QWRGUYRKSA-N -1 0 350.393 -0.708 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])C1 ZINC000322230637 485078923 /nfs/dbraw/zinc/07/89/23/485078923.db2.gz ZNMBNRSJWBMNJT-WDEREUQCSA-N -1 0 350.393 -0.708 20 0 FBADRM COCCN(CCOC)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000322335845 485137374 /nfs/dbraw/zinc/13/73/74/485137374.db2.gz QJHPDQQWYGHEJA-LLVKDONJSA-N -1 0 352.409 -0.725 20 0 FBADRM COCCN(CCOC)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000322335846 485136716 /nfs/dbraw/zinc/13/67/16/485136716.db2.gz QJHPDQQWYGHEJA-NSHDSACASA-N -1 0 352.409 -0.725 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000322369627 483601131 /nfs/dbraw/zinc/60/11/31/483601131.db2.gz YZASCEYQHQIMLP-GHMZBOCLSA-N -1 0 350.393 -0.566 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000322369629 483601556 /nfs/dbraw/zinc/60/15/56/483601556.db2.gz YZASCEYQHQIMLP-MNOVXSKESA-N -1 0 350.393 -0.566 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000322369630 483601751 /nfs/dbraw/zinc/60/17/51/483601751.db2.gz YZASCEYQHQIMLP-QWRGUYRKSA-N -1 0 350.393 -0.566 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000322369632 484409655 /nfs/dbraw/zinc/40/96/55/484409655.db2.gz YZASCEYQHQIMLP-WDEREUQCSA-N -1 0 350.393 -0.566 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C)C(=O)N1CCOCC1 ZINC000322478045 484408915 /nfs/dbraw/zinc/40/89/15/484408915.db2.gz RVLYJOVQQUXNNX-MRVPVSSYSA-N -1 0 363.417 -0.545 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCOCC1 ZINC000322478047 660161656 /nfs/dbraw/zinc/16/16/56/660161656.db2.gz RVLYJOVQQUXNNX-QMMMGPOBSA-N -1 0 363.417 -0.545 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CCCS(=O)(=O)CC2)cc1 ZINC000322494239 600444726 /nfs/dbraw/zinc/44/47/26/600444726.db2.gz DFRSRQLZWPHBKR-UHFFFAOYSA-N -1 0 363.413 -0.041 20 0 FBADRM O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000322503053 836009593 /nfs/dbraw/zinc/00/95/93/836009593.db2.gz DXRRLKQKJJIQBN-UHFFFAOYSA-N -1 0 364.357 -0.288 20 0 FBADRM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000322523201 600586612 /nfs/dbraw/zinc/58/66/12/600586612.db2.gz MSBQVJZFAKFYGQ-JTQLQIEISA-N -1 0 363.413 -0.042 20 0 FBADRM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000322523202 600586579 /nfs/dbraw/zinc/58/65/79/600586579.db2.gz MSBQVJZFAKFYGQ-SNVBAGLBSA-N -1 0 363.413 -0.042 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])CC1 ZINC000322625887 600147271 /nfs/dbraw/zinc/14/72/71/600147271.db2.gz PFJKFJUJMUYMIR-UHFFFAOYSA-N -1 0 366.392 -0.210 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCC(=O)N1CCOCC1 ZINC000322695216 483572688 /nfs/dbraw/zinc/57/26/88/483572688.db2.gz NBFDPQXBEBFKLO-UHFFFAOYSA-N -1 0 363.417 -0.543 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC000322730953 484410621 /nfs/dbraw/zinc/41/06/21/484410621.db2.gz UFDRQVWXUXEUIN-JTQLQIEISA-N -1 0 350.393 -0.518 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC000322730954 484410800 /nfs/dbraw/zinc/41/08/00/484410800.db2.gz UFDRQVWXUXEUIN-SNVBAGLBSA-N -1 0 350.393 -0.518 20 0 FBADRM COCCNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000322735969 659982088 /nfs/dbraw/zinc/98/20/88/659982088.db2.gz YYWRVCMALIQHIJ-UHFFFAOYSA-N -1 0 352.315 -0.296 20 0 FBADRM COCCNC(=O)CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000322853925 601228517 /nfs/dbraw/zinc/22/85/17/601228517.db2.gz QSTFYEZHDQKDJO-UHFFFAOYSA-N -1 0 352.315 -0.296 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cccs2)c(=O)n(C)c1=O ZINC000322934647 484241097 /nfs/dbraw/zinc/24/10/97/484241097.db2.gz PDONNBKFROHHSX-SECBINFHSA-N -1 0 359.385 -0.750 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2cccs2)c(=O)n(C)c1=O ZINC000322934648 484240865 /nfs/dbraw/zinc/24/08/65/484240865.db2.gz PDONNBKFROHHSX-VIFPVBQESA-N -1 0 359.385 -0.750 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@@H](CC(=O)[O-])OC)C1 ZINC000323093326 484209004 /nfs/dbraw/zinc/20/90/04/484209004.db2.gz ZEUHZHGAIGGPEJ-GHMZBOCLSA-N -1 0 352.409 -0.414 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@H](CC(=O)[O-])OC)C1 ZINC000323093327 484209814 /nfs/dbraw/zinc/20/98/14/484209814.db2.gz ZEUHZHGAIGGPEJ-MNOVXSKESA-N -1 0 352.409 -0.414 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@H](CC(=O)[O-])OC)C1 ZINC000323093328 484209605 /nfs/dbraw/zinc/20/96/05/484209605.db2.gz ZEUHZHGAIGGPEJ-QWRGUYRKSA-N -1 0 352.409 -0.414 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@@H](CC(=O)[O-])OC)C1 ZINC000323093329 484209194 /nfs/dbraw/zinc/20/91/94/484209194.db2.gz ZEUHZHGAIGGPEJ-WDEREUQCSA-N -1 0 352.409 -0.414 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)NC[C@@H](CC(=O)[O-])OC)CC1 ZINC000323093769 484209942 /nfs/dbraw/zinc/20/99/42/484209942.db2.gz ZLEFZLBYPBVOPZ-LLVKDONJSA-N -1 0 352.409 -0.414 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)NC[C@H](CC(=O)[O-])OC)CC1 ZINC000323093771 484208550 /nfs/dbraw/zinc/20/85/50/484208550.db2.gz ZLEFZLBYPBVOPZ-NSHDSACASA-N -1 0 352.409 -0.414 20 0 FBADRM CN(C)S(=O)(=O)CCNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000323209740 845861145 /nfs/dbraw/zinc/86/11/45/845861145.db2.gz NAPQVAQKAGDPJA-UHFFFAOYSA-N -1 0 364.445 -0.127 20 0 FBADRM COc1ccc(S(=O)(=O)NCCS(=O)(=O)N(C)C)cc1C(=O)[O-] ZINC000323231689 845861854 /nfs/dbraw/zinc/86/18/54/845861854.db2.gz TXUAYFNVFCOWPH-UHFFFAOYSA-N -1 0 366.417 -0.437 20 0 FBADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)NCCCNS(C)(=O)=O ZINC000323250877 657593506 /nfs/dbraw/zinc/59/35/06/657593506.db2.gz ZHGPOEFBIMFNEK-UHFFFAOYSA-N -1 0 366.417 -0.384 20 0 FBADRM COc1ccc(S(=O)(=O)NCCCNS(C)(=O)=O)cc1C(=O)[O-] ZINC000323253805 600577594 /nfs/dbraw/zinc/57/75/94/600577594.db2.gz AAYZCGDBDNHTTD-UHFFFAOYSA-N -1 0 366.417 -0.389 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000323285460 659983964 /nfs/dbraw/zinc/98/39/64/659983964.db2.gz KACFERCIHNDKIV-UHFFFAOYSA-N -1 0 364.445 -0.079 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000323286827 600083724 /nfs/dbraw/zinc/08/37/24/600083724.db2.gz KKWIAPUUUQQCSL-UHFFFAOYSA-N -1 0 366.417 -0.632 20 0 FBADRM CS(=O)(=O)NCCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000323293550 601229740 /nfs/dbraw/zinc/22/97/40/601229740.db2.gz MJYKSWPICQANID-UHFFFAOYSA-N -1 0 372.371 -0.119 20 0 FBADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000323303190 483697729 /nfs/dbraw/zinc/69/77/29/483697729.db2.gz AXDCNVFSIAXQDN-UHFFFAOYSA-N -1 0 362.429 -0.041 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000323308434 600583591 /nfs/dbraw/zinc/58/35/91/600583591.db2.gz PNFHBDMIMRZZRK-UHFFFAOYSA-N -1 0 366.417 -0.389 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000323319496 601240260 /nfs/dbraw/zinc/24/02/60/601240260.db2.gz RWPKVUZIXUGXJE-UHFFFAOYSA-N -1 0 366.417 -0.389 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCNS(C)(=O)=O ZINC000323785140 601213342 /nfs/dbraw/zinc/21/33/42/601213342.db2.gz BKOGVPKNXXZOFP-UHFFFAOYSA-N -1 0 366.417 -0.389 20 0 FBADRM CS(=O)(=O)NCCCNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000323825146 660102142 /nfs/dbraw/zinc/10/21/42/660102142.db2.gz KYAZHMPPEQBXRX-UHFFFAOYSA-N -1 0 364.445 -0.079 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000323831612 485329377 /nfs/dbraw/zinc/32/93/77/485329377.db2.gz QUAAUAHQDYJQCN-UHFFFAOYSA-N -1 0 366.392 -0.210 20 0 FBADRM CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)C(=O)[O-] ZINC000323851548 484106204 /nfs/dbraw/zinc/10/62/04/484106204.db2.gz MQQRXKNHCQXNPX-GFCCVEGCSA-N -1 0 359.404 -0.125 20 0 FBADRM CC(C)[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)C(=O)[O-] ZINC000323851549 484106562 /nfs/dbraw/zinc/10/65/62/484106562.db2.gz MQQRXKNHCQXNPX-LBPRGKRZSA-N -1 0 359.404 -0.125 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cc1 ZINC000323856790 485328994 /nfs/dbraw/zinc/32/89/94/485328994.db2.gz DUIHITKZSVGMRN-GFCCVEGCSA-N -1 0 373.412 -0.213 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1 ZINC000323856791 485329503 /nfs/dbraw/zinc/32/95/03/485329503.db2.gz DUIHITKZSVGMRN-LBPRGKRZSA-N -1 0 373.412 -0.213 20 0 FBADRM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000323859658 485329195 /nfs/dbraw/zinc/32/91/95/485329195.db2.gz FNOYXKJFUNTRAG-UHFFFAOYSA-N -1 0 353.356 -0.109 20 0 FBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000323876931 485329428 /nfs/dbraw/zinc/32/94/28/485329428.db2.gz SZGREUCJPNJULY-KCJUWKMLSA-N -1 0 356.356 -0.120 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cc1 ZINC000323888133 485329201 /nfs/dbraw/zinc/32/92/01/485329201.db2.gz MQBMYVGATSNSIT-GFCCVEGCSA-N -1 0 352.372 -0.257 20 0 FBADRM Cn1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])c(=O)n(C)c1=O ZINC000323892500 483922217 /nfs/dbraw/zinc/92/22/17/483922217.db2.gz WYNNSFPFLKOOAO-UHFFFAOYSA-N -1 0 357.319 -0.278 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccccc2)c(=O)n(C)c1=O ZINC000323913177 484114922 /nfs/dbraw/zinc/11/49/22/484114922.db2.gz SIMVGCSMLPIIEV-LLVKDONJSA-N -1 0 353.356 -0.812 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccccc2)c(=O)n(C)c1=O ZINC000323913178 484114675 /nfs/dbraw/zinc/11/46/75/484114675.db2.gz SIMVGCSMLPIIEV-NSHDSACASA-N -1 0 353.356 -0.812 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c[nH]1 ZINC000323913945 600690166 /nfs/dbraw/zinc/69/01/66/600690166.db2.gz SNFZYUCZARMRGE-GFCCVEGCSA-N -1 0 357.388 -0.275 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c[nH]1 ZINC000323913946 600690274 /nfs/dbraw/zinc/69/02/74/600690274.db2.gz SNFZYUCZARMRGE-LBPRGKRZSA-N -1 0 357.388 -0.275 20 0 FBADRM Cn1cc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)c(=O)n(C)c1=O ZINC000323924799 484247714 /nfs/dbraw/zinc/24/77/14/484247714.db2.gz WRTUHKIRXRYOGG-UHFFFAOYSA-N -1 0 353.356 -0.488 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000323931024 485329381 /nfs/dbraw/zinc/32/93/81/485329381.db2.gz ZGDNCVOHYCJDDS-UHFFFAOYSA-N -1 0 353.356 -0.109 20 0 FBADRM CN(CCCC(=O)[O-])C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000323940335 484117731 /nfs/dbraw/zinc/11/77/31/484117731.db2.gz JMZYGPYYJFQELZ-UHFFFAOYSA-N -1 0 359.404 -0.028 20 0 FBADRM Cc1cc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)ccc1C(=O)[O-] ZINC000324004940 484439916 /nfs/dbraw/zinc/43/99/16/484439916.db2.gz JTKWAQGBNLUTOK-UHFFFAOYSA-N -1 0 362.429 -0.041 20 0 FBADRM O=C([O-])[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000324021092 484133758 /nfs/dbraw/zinc/13/37/58/484133758.db2.gz LZZGQGPMRISTSC-GFCCVEGCSA-N -1 0 357.388 -0.275 20 0 FBADRM O=C([O-])[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000324021093 484133519 /nfs/dbraw/zinc/13/35/19/484133519.db2.gz LZZGQGPMRISTSC-LBPRGKRZSA-N -1 0 357.388 -0.275 20 0 FBADRM COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1NC(C)=O ZINC000324057829 660117318 /nfs/dbraw/zinc/11/73/18/660117318.db2.gz VZRWVWMJUBHQAC-BXKDBHETSA-N -1 0 358.372 -0.138 20 0 FBADRM CC(=O)N1CCc2cc(S(=O)(=O)N3C[C@@H](O)C[C@@H]3C(=O)[O-])ccc21 ZINC000324057970 484282358 /nfs/dbraw/zinc/28/23/58/484282358.db2.gz WDIQGLLSHRAABU-SMDDNHRTSA-N -1 0 354.384 -0.196 20 0 FBADRM COc1ccc(S(=O)(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])cc1C(N)=O ZINC000324108207 485329443 /nfs/dbraw/zinc/32/94/43/485329443.db2.gz MWQSIOJZSDIYMR-KCJUWKMLSA-N -1 0 358.372 -0.343 20 0 FBADRM CC(=O)Nc1ccc(C)c(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c1 ZINC000324119575 484935675 /nfs/dbraw/zinc/93/56/75/484935675.db2.gz PONSOGZPNIUJJW-LLVKDONJSA-N -1 0 357.388 -0.050 20 0 FBADRM CC(=O)Nc1ccc(C)c(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1 ZINC000324119582 484936640 /nfs/dbraw/zinc/93/66/40/484936640.db2.gz PONSOGZPNIUJJW-NSHDSACASA-N -1 0 357.388 -0.050 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c(F)c1 ZINC000324132091 658903214 /nfs/dbraw/zinc/90/32/14/658903214.db2.gz SIRXXOJIDFMLCT-JTQLQIEISA-N -1 0 361.351 -0.219 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c(F)c1 ZINC000324132092 658903281 /nfs/dbraw/zinc/90/32/81/658903281.db2.gz SIRXXOJIDFMLCT-SNVBAGLBSA-N -1 0 361.351 -0.219 20 0 FBADRM COCCOc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cc1 ZINC000324136479 484948172 /nfs/dbraw/zinc/94/81/72/484948172.db2.gz UHTNDGHUOXEAQD-GFCCVEGCSA-N -1 0 360.388 -0.291 20 0 FBADRM COCCOc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cc1 ZINC000324136480 484947371 /nfs/dbraw/zinc/94/73/71/484947371.db2.gz UHTNDGHUOXEAQD-LBPRGKRZSA-N -1 0 360.388 -0.291 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])C1 ZINC000324147326 485330317 /nfs/dbraw/zinc/33/03/17/485330317.db2.gz XMIIGBMDZZRJEI-UTUOFQBUSA-N -1 0 364.420 -0.320 20 0 FBADRM COCC(=O)N1CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC000324162431 483497462 /nfs/dbraw/zinc/49/74/62/483497462.db2.gz COSBJNJEOTXFBJ-UHFFFAOYSA-N -1 0 356.400 -0.207 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cn1 ZINC000324170567 484091128 /nfs/dbraw/zinc/09/11/28/484091128.db2.gz FIOLBXKYWQSGJN-UHFFFAOYSA-N -1 0 352.376 -0.731 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(N3CCNC3=O)CC2)cc1C(=O)[O-] ZINC000324183188 600773062 /nfs/dbraw/zinc/77/30/62/600773062.db2.gz IGBISCKNVVRVLQ-UHFFFAOYSA-N -1 0 356.404 -0.098 20 0 FBADRM CCN(CCC(=O)[O-])C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000324186351 484306099 /nfs/dbraw/zinc/30/60/99/484306099.db2.gz JCQPHMXIMOBPMN-UHFFFAOYSA-N -1 0 359.404 -0.028 20 0 FBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000324192239 483887955 /nfs/dbraw/zinc/88/79/55/483887955.db2.gz KFDGRKRWYPNCQN-UHFFFAOYSA-N -1 0 355.420 -0.360 20 0 FBADRM CC(C)N(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000324198521 484307640 /nfs/dbraw/zinc/30/76/40/484307640.db2.gz LMECGIXZYKRJAF-UHFFFAOYSA-N -1 0 359.404 -0.029 20 0 FBADRM CC(C)(C)OC(=O)CC[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000324200017 660130676 /nfs/dbraw/zinc/13/06/76/660130676.db2.gz YBFOTZGHIZISFE-SECBINFHSA-N -1 0 373.449 -0.475 20 0 FBADRM Cn1cc(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)c(=O)n(C)c1=O ZINC000324200729 484308273 /nfs/dbraw/zinc/30/82/73/484308273.db2.gz SRHWOXPABUQGDP-UHFFFAOYSA-N -1 0 353.356 -0.739 20 0 FBADRM COCC(=O)NC1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000324203193 600770862 /nfs/dbraw/zinc/77/08/62/600770862.db2.gz NKCVFMVWSTZFSJ-UHFFFAOYSA-N -1 0 359.404 -0.361 20 0 FBADRM CC(C)(C)OC(=O)CC[C@@H](NS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000324203592 483888192 /nfs/dbraw/zinc/88/81/92/483888192.db2.gz YPNBZZYALDJXTO-SNVBAGLBSA-N -1 0 352.409 -0.272 20 0 FBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000324226738 483888045 /nfs/dbraw/zinc/88/80/45/483888045.db2.gz TWRAJFNSHVIMNC-GFCCVEGCSA-N -1 0 355.420 -0.360 20 0 FBADRM O=C([O-])[C@H]1CCCN(S(=O)(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000324226739 483888173 /nfs/dbraw/zinc/88/81/73/483888173.db2.gz TWRAJFNSHVIMNC-LBPRGKRZSA-N -1 0 355.420 -0.360 20 0 FBADRM COCCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000324234610 660133429 /nfs/dbraw/zinc/13/34/29/660133429.db2.gz WFIKVQHGSFVYJY-UHFFFAOYSA-N -1 0 360.388 -0.184 20 0 FBADRM O=C([O-])c1ccccc1S(=O)(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000324234629 845914375 /nfs/dbraw/zinc/91/43/75/845914375.db2.gz WFTBBFBVYHNFMH-UHFFFAOYSA-N -1 0 353.356 -0.253 20 0 FBADRM CC(C)C(=O)NC1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000324234947 600711027 /nfs/dbraw/zinc/71/10/27/600711027.db2.gz WGDFFEOPTFIMMF-UHFFFAOYSA-N -1 0 358.420 -0.107 20 0 FBADRM Cc1cc(NC(=O)CN(C)S(=O)(=O)c2cnn(CC(=O)[O-])c2)no1 ZINC000324241299 600697414 /nfs/dbraw/zinc/69/74/14/600697414.db2.gz XZFRGWSTOZMQAN-UHFFFAOYSA-N -1 0 357.348 -0.477 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000324242680 660134215 /nfs/dbraw/zinc/13/42/15/660134215.db2.gz YGHVCBCEFPDRKM-UHFFFAOYSA-N -1 0 353.356 -0.253 20 0 FBADRM NS(=O)(=O)c1cccc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000324252894 600705858 /nfs/dbraw/zinc/70/58/58/600705858.db2.gz UDHCBPWVAGNXBI-UHFFFAOYSA-N -1 0 374.400 -0.906 20 0 FBADRM Cn1cc(S(=O)(=O)NCc2cccc(S(N)(=O)=O)c2)cc1C(=O)[O-] ZINC000324253679 600769687 /nfs/dbraw/zinc/76/96/87/600769687.db2.gz UFCAHUCHFIFDBC-UHFFFAOYSA-N -1 0 373.412 -0.151 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cnn(CC(=O)NC)c1 ZINC000324258473 484315874 /nfs/dbraw/zinc/31/58/74/484315874.db2.gz CVNIFMXTKGQLSC-UHFFFAOYSA-N -1 0 356.364 -0.670 20 0 FBADRM O=C([O-])CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)C1CC1 ZINC000324275116 484317470 /nfs/dbraw/zinc/31/74/70/484317470.db2.gz ZLFPAGYFCXIWIA-UHFFFAOYSA-N -1 0 357.388 -0.275 20 0 FBADRM CNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)CC1 ZINC000324370972 601254741 /nfs/dbraw/zinc/25/47/41/601254741.db2.gz KRTFVINIHULSCB-UHFFFAOYSA-N -1 0 355.416 -0.254 20 0 FBADRM CNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CC1 ZINC000324392148 601255671 /nfs/dbraw/zinc/25/56/71/601255671.db2.gz QJJRLTBJWGUFEQ-UHFFFAOYSA-N -1 0 359.379 -0.424 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000324399623 600032414 /nfs/dbraw/zinc/03/24/14/600032414.db2.gz ARSARRUBXUBYRJ-GFCCVEGCSA-N -1 0 357.388 -0.629 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000324399626 600032510 /nfs/dbraw/zinc/03/25/10/600032510.db2.gz ARSARRUBXUBYRJ-LBPRGKRZSA-N -1 0 357.388 -0.629 20 0 FBADRM CS(=O)(=O)c1ccc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000324413745 600709528 /nfs/dbraw/zinc/70/95/28/600709528.db2.gz LEPXKGPIJOYRSV-UHFFFAOYSA-N -1 0 373.412 -0.150 20 0 FBADRM CNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2C)CC1 ZINC000324420646 601254832 /nfs/dbraw/zinc/25/48/32/601254832.db2.gz YKJCMENEJJBHDX-UHFFFAOYSA-N -1 0 355.416 -0.254 20 0 FBADRM Cn1cc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(=O)n(C)c1=O ZINC000324444623 485331274 /nfs/dbraw/zinc/33/12/74/485331274.db2.gz FPCNNUORQABIIJ-UHFFFAOYSA-N -1 0 357.319 -0.278 20 0 FBADRM Cc1cc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1C(=O)[O-] ZINC000324448456 483888763 /nfs/dbraw/zinc/88/87/63/483888763.db2.gz FSRBRXWOFICITM-UHFFFAOYSA-N -1 0 353.356 -0.109 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c(=O)n(C)c1=O ZINC000324455854 601597700 /nfs/dbraw/zinc/59/77/00/601597700.db2.gz FLKNRKUQAXYIEM-LLVKDONJSA-N -1 0 359.404 -0.604 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])C2CCCCC2)c(=O)n(C)c1=O ZINC000324455855 601597665 /nfs/dbraw/zinc/59/76/65/601597665.db2.gz FLKNRKUQAXYIEM-NSHDSACASA-N -1 0 359.404 -0.604 20 0 FBADRM CNC(=O)CN1CCN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000324470113 601255511 /nfs/dbraw/zinc/25/55/11/601255511.db2.gz KIJFNRKFNUVZDC-UHFFFAOYSA-N -1 0 355.416 -0.422 20 0 FBADRM CCOC(=O)CC[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000324486271 483888589 /nfs/dbraw/zinc/88/85/89/483888589.db2.gz HONBKOJORZYZGF-AXFHLTTASA-N -1 0 352.409 -0.274 20 0 FBADRM CCOC(=O)CC[C@H](NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000324486273 483888719 /nfs/dbraw/zinc/88/87/19/483888719.db2.gz HONBKOJORZYZGF-DCAQKATOSA-N -1 0 352.409 -0.274 20 0 FBADRM CCOC(=O)CC[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000324486275 483888552 /nfs/dbraw/zinc/88/85/52/483888552.db2.gz HONBKOJORZYZGF-MXWKQRLJSA-N -1 0 352.409 -0.274 20 0 FBADRM C[C@@H](CN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)C(=O)[O-] ZINC000324488653 484469819 /nfs/dbraw/zinc/46/98/19/484469819.db2.gz ILORXEBHUMBGRK-JTQLQIEISA-N -1 0 359.404 -0.172 20 0 FBADRM C[C@H](CN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)C(=O)[O-] ZINC000324488654 484468801 /nfs/dbraw/zinc/46/88/01/484468801.db2.gz ILORXEBHUMBGRK-SNVBAGLBSA-N -1 0 359.404 -0.172 20 0 FBADRM CNC(=O)CN1CCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000324504957 601255488 /nfs/dbraw/zinc/25/54/88/601255488.db2.gz RWCJQRRFRMJFEC-UHFFFAOYSA-N -1 0 355.416 -0.422 20 0 FBADRM CN(C)C(=O)CN1CCN(S(=O)(=O)c2ccccc2C(=O)[O-])CC1 ZINC000324532807 845917285 /nfs/dbraw/zinc/91/72/85/845917285.db2.gz ARHPBBOGZYHRHO-UHFFFAOYSA-N -1 0 355.416 -0.221 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(=O)n(C)c1=O ZINC000324568360 660172156 /nfs/dbraw/zinc/17/21/56/660172156.db2.gz BVYBINBIEAVPAV-JTQLQIEISA-N -1 0 359.404 -0.651 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(=O)n(C)c1=O ZINC000324568361 660172128 /nfs/dbraw/zinc/17/21/28/660172128.db2.gz BVYBINBIEAVPAV-SNVBAGLBSA-N -1 0 359.404 -0.651 20 0 FBADRM CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000324581769 600768665 /nfs/dbraw/zinc/76/86/65/600768665.db2.gz AZONVYNTHALCGQ-UHFFFAOYSA-N -1 0 358.420 -0.834 20 0 FBADRM CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000324611137 659866623 /nfs/dbraw/zinc/86/66/23/659866623.db2.gz KRVVHXWGIPRWIT-UHFFFAOYSA-N -1 0 355.416 -0.173 20 0 FBADRM Cn1cc(S(=O)(=O)NCc2cccc(C(=O)[O-])c2)c(=O)n(C)c1=O ZINC000324639717 601993494 /nfs/dbraw/zinc/99/34/94/601993494.db2.gz UFADRCHIEDKZQY-UHFFFAOYSA-N -1 0 353.356 -0.739 20 0 FBADRM CN(C)C(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000324645936 601915776 /nfs/dbraw/zinc/91/57/76/601915776.db2.gz VZMZVYDUNJNAJA-UHFFFAOYSA-N -1 0 358.420 -0.882 20 0 FBADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1CN(C)CCN1C ZINC000324668105 484474777 /nfs/dbraw/zinc/47/47/77/484474777.db2.gz NFLIASHNFGKBOV-LLVKDONJSA-N -1 0 357.432 -0.077 20 0 FBADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1CN(C)CCN1C ZINC000324668107 484474474 /nfs/dbraw/zinc/47/44/74/484474474.db2.gz NFLIASHNFGKBOV-NSHDSACASA-N -1 0 357.432 -0.077 20 0 FBADRM CN1CCN(C)[C@H](CNS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000324669481 600347628 /nfs/dbraw/zinc/34/76/28/600347628.db2.gz NQQQOTRNPHLEHP-GFCCVEGCSA-N -1 0 357.432 -0.326 20 0 FBADRM CN1CCN(C)[C@@H](CNS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000324669484 600347389 /nfs/dbraw/zinc/34/73/89/600347389.db2.gz NQQQOTRNPHLEHP-LBPRGKRZSA-N -1 0 357.432 -0.326 20 0 FBADRM Cc1cc(NC(=O)CN(C)S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])no1 ZINC000324675911 600339862 /nfs/dbraw/zinc/33/98/62/600339862.db2.gz MGKFLWGXOLWNGQ-UHFFFAOYSA-N -1 0 357.348 -0.028 20 0 FBADRM Cc1[nH]nc(S(=O)(=O)N2CCN(c3cnccn3)CC2)c1C(=O)[O-] ZINC000324677079 600340051 /nfs/dbraw/zinc/34/00/51/600340051.db2.gz PYEBYXUQYDVOCG-UHFFFAOYSA-N -1 0 352.376 -0.283 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1CN(C)CCN1C ZINC000324687961 601242141 /nfs/dbraw/zinc/24/21/41/601242141.db2.gz UAFGOUZCHCQFCB-GFCCVEGCSA-N -1 0 357.432 -0.083 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1CN(C)CCN1C ZINC000324687962 601242260 /nfs/dbraw/zinc/24/22/60/601242260.db2.gz UAFGOUZCHCQFCB-LBPRGKRZSA-N -1 0 357.432 -0.083 20 0 FBADRM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cc1 ZINC000324690513 484535200 /nfs/dbraw/zinc/53/52/00/484535200.db2.gz UTTWPEGOQCUJNA-UHFFFAOYSA-N -1 0 352.372 -0.115 20 0 FBADRM COC(=O)Cn1cc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cn1 ZINC000324692227 484475599 /nfs/dbraw/zinc/47/55/99/484475599.db2.gz UHLAVIPXGYVGNR-UHFFFAOYSA-N -1 0 374.400 -0.496 20 0 FBADRM CC(=O)N1CCc2ccc(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])cc21 ZINC000324699975 484477918 /nfs/dbraw/zinc/47/79/18/484477918.db2.gz UCPPTLCOARHALF-FZMZJTMJSA-N -1 0 354.384 -0.196 20 0 FBADRM CC(=O)N1CCc2ccc(S(=O)(=O)N3C[C@@H](O)C[C@@H]3C(=O)[O-])cc21 ZINC000324699976 484478386 /nfs/dbraw/zinc/47/83/86/484478386.db2.gz UCPPTLCOARHALF-SMDDNHRTSA-N -1 0 354.384 -0.196 20 0 FBADRM COc1ccc(S(=O)(=O)NC[C@@H]2CN(C)CCN2C)cc1C(=O)[O-] ZINC000324704296 660185251 /nfs/dbraw/zinc/18/52/51/660185251.db2.gz ZGHHFVDDVWUDHW-LLVKDONJSA-N -1 0 357.432 -0.083 20 0 FBADRM COc1ccc(S(=O)(=O)NC[C@H]2CN(C)CCN2C)cc1C(=O)[O-] ZINC000324704297 660185353 /nfs/dbraw/zinc/18/53/53/660185353.db2.gz ZGHHFVDDVWUDHW-NSHDSACASA-N -1 0 357.432 -0.083 20 0 FBADRM CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)C(C)(C)C(=O)[O-] ZINC000324755303 484485897 /nfs/dbraw/zinc/48/58/97/484485897.db2.gz VMEJNAQJPBFFGK-UHFFFAOYSA-N -1 0 359.404 -0.029 20 0 FBADRM COC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000324765978 601234514 /nfs/dbraw/zinc/23/45/14/601234514.db2.gz BTKFMVTXKXNLQG-UHFFFAOYSA-N -1 0 363.319 -0.139 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-])C1 ZINC000324782711 485332808 /nfs/dbraw/zinc/33/28/08/485332808.db2.gz BMVDHZOFPBUBEO-UWVGGRQHSA-N -1 0 366.392 -0.888 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-])C1 ZINC000324782713 485332778 /nfs/dbraw/zinc/33/27/78/485332778.db2.gz BMVDHZOFPBUBEO-ZJUUUORDSA-N -1 0 366.392 -0.888 20 0 FBADRM Cc1[nH]nc(S(=O)(=O)N2CCN(c3ncccn3)CC2)c1C(=O)[O-] ZINC000324791557 600338169 /nfs/dbraw/zinc/33/81/69/600338169.db2.gz KCCLNGXLTWWVET-UHFFFAOYSA-N -1 0 352.376 -0.283 20 0 FBADRM O=C([O-])[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)C1CC1 ZINC000324796368 484485526 /nfs/dbraw/zinc/48/55/26/484485526.db2.gz NNFSUJIJVVFZRX-GFCCVEGCSA-N -1 0 357.388 -0.371 20 0 FBADRM O=C([O-])[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)C1CC1 ZINC000324796369 484485841 /nfs/dbraw/zinc/48/58/41/484485841.db2.gz NNFSUJIJVVFZRX-LBPRGKRZSA-N -1 0 357.388 -0.371 20 0 FBADRM COC(=O)CN(CC(=O)OC)S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000324797161 600230876 /nfs/dbraw/zinc/23/08/76/600230876.db2.gz NURUDCGPVGQMEB-UHFFFAOYSA-N -1 0 359.356 -0.137 20 0 FBADRM COC(=O)CN(CC(=O)OC)S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000324813425 600014058 /nfs/dbraw/zinc/01/40/58/600014058.db2.gz TXIWXDTYXFRSOT-UHFFFAOYSA-N -1 0 363.319 -0.139 20 0 FBADRM COC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000324818109 660221837 /nfs/dbraw/zinc/22/18/37/660221837.db2.gz VIFVPXXCKKKOQE-UHFFFAOYSA-N -1 0 359.356 -0.350 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC000324818647 485332852 /nfs/dbraw/zinc/33/28/52/485332852.db2.gz RJHUALQMJAIZPN-VIFPVBQESA-N -1 0 358.328 -0.688 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC000324841008 599983239 /nfs/dbraw/zinc/98/32/39/599983239.db2.gz WUWGYHDGJBZTJA-CYBMUJFWSA-N -1 0 355.416 -0.288 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC000324841011 599983362 /nfs/dbraw/zinc/98/33/62/599983362.db2.gz WUWGYHDGJBZTJA-ZDUSSCGKSA-N -1 0 355.416 -0.288 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)Cc1ccc(C(=O)OC)cc1)C(=O)[O-] ZINC000324842531 485332491 /nfs/dbraw/zinc/33/24/91/485332491.db2.gz RTZCFEUKXYWVMT-NSHDSACASA-N -1 0 359.356 -0.091 20 0 FBADRM NC(=O)CN1CCC(NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000324859251 600222021 /nfs/dbraw/zinc/22/20/21/600222021.db2.gz IPKHYKRNRMVINR-UHFFFAOYSA-N -1 0 355.416 -0.246 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-])CC1 ZINC000324868635 485332712 /nfs/dbraw/zinc/33/27/12/485332712.db2.gz XBWVGTDRJKXHPU-JTQLQIEISA-N -1 0 366.392 -0.888 20 0 FBADRM Cc1ccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1C(=O)[O-] ZINC000324876039 485332607 /nfs/dbraw/zinc/33/26/07/485332607.db2.gz CVJDAZUACFQYIK-UHFFFAOYSA-N -1 0 353.356 -0.109 20 0 FBADRM O=C([O-])CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000324877494 597000757 /nfs/dbraw/zinc/00/07/57/597000757.db2.gz QQOKFCBRYUKMFH-UHFFFAOYSA-N -1 0 355.372 -0.592 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC000324887595 599729375 /nfs/dbraw/zinc/72/93/75/599729375.db2.gz SIMXEFQFFSADLJ-GFCCVEGCSA-N -1 0 363.436 -0.649 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC000324887596 599729800 /nfs/dbraw/zinc/72/98/00/599729800.db2.gz SIMXEFQFFSADLJ-LBPRGKRZSA-N -1 0 363.436 -0.649 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC(OCC(=O)[O-])CC1 ZINC000324912696 660237497 /nfs/dbraw/zinc/23/74/97/660237497.db2.gz JZFOLHCBTIIOPK-GFCCVEGCSA-N -1 0 364.420 -0.176 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC(OCC(=O)[O-])CC1 ZINC000324912697 660237526 /nfs/dbraw/zinc/23/75/26/660237526.db2.gz JZFOLHCBTIIOPK-LBPRGKRZSA-N -1 0 364.420 -0.176 20 0 FBADRM CC(C)C(=O)N1CCC(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000324914370 600703765 /nfs/dbraw/zinc/70/37/65/600703765.db2.gz SOJXWPWGTJGGDN-UHFFFAOYSA-N -1 0 358.420 -0.107 20 0 FBADRM Cc1ccc(S(=O)(=O)NC2CCN(CC(N)=O)CC2)cc1C(=O)[O-] ZINC000324923224 600768147 /nfs/dbraw/zinc/76/81/47/600768147.db2.gz VGDXGGXKSSHASW-UHFFFAOYSA-N -1 0 355.416 -0.079 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CCC(OCC(=O)[O-])CC2)cn1C ZINC000324933998 660262421 /nfs/dbraw/zinc/26/24/21/660262421.db2.gz OIXUTVOEZIWZIN-UHFFFAOYSA-N -1 0 359.404 -0.361 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000324942008 601253682 /nfs/dbraw/zinc/25/36/82/601253682.db2.gz ZCQVXXJLEUJYDI-UHFFFAOYSA-N -1 0 358.420 -0.341 20 0 FBADRM CC(C)C[C@H](CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CC(=O)[O-] ZINC000324963672 485332957 /nfs/dbraw/zinc/33/29/57/485332957.db2.gz JGOXOFPEZAQJTB-JTQLQIEISA-N -1 0 361.420 -0.501 20 0 FBADRM CNC(=O)CN1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2C)CC1 ZINC000324992503 601255480 /nfs/dbraw/zinc/25/54/80/601255480.db2.gz WURSMNUBYMKXIZ-UHFFFAOYSA-N -1 0 355.416 -0.254 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cn1 ZINC000325006918 483889471 /nfs/dbraw/zinc/88/94/71/483889471.db2.gz AUUGXSOOAUXDMX-UHFFFAOYSA-N -1 0 352.376 -0.731 20 0 FBADRM COc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1NC(C)=O ZINC000325022653 485142701 /nfs/dbraw/zinc/14/27/01/485142701.db2.gz GKKQHTAPWNTTNV-UHFFFAOYSA-N -1 0 359.360 -0.867 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1 ZINC000325047064 605365505 /nfs/dbraw/zinc/36/55/05/605365505.db2.gz OGCCRHUNGNHJNS-LLVKDONJSA-N -1 0 355.372 -0.990 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC000325047065 605366199 /nfs/dbraw/zinc/36/61/99/605366199.db2.gz OGCCRHUNGNHJNS-NSHDSACASA-N -1 0 355.372 -0.990 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cn1 ZINC000325047470 600687732 /nfs/dbraw/zinc/68/77/32/600687732.db2.gz OPSDCRLJNUOCSH-UHFFFAOYSA-N -1 0 351.388 -0.126 20 0 FBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC1CCN(CC(N)=O)CC1 ZINC000325064024 599931497 /nfs/dbraw/zinc/93/14/97/599931497.db2.gz UBMGVQIJEFTHFY-UHFFFAOYSA-N -1 0 355.416 -0.079 20 0 FBADRM CC(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000325067574 599741627 /nfs/dbraw/zinc/74/16/27/599741627.db2.gz WENUWULJSRFEGS-UHFFFAOYSA-N -1 0 357.388 -0.696 20 0 FBADRM COC(=O)Cc1csc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1 ZINC000325086944 485208748 /nfs/dbraw/zinc/20/87/48/485208748.db2.gz INWJMMYGBCKTJU-UHFFFAOYSA-N -1 0 374.400 -0.943 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000325091016 599836702 /nfs/dbraw/zinc/83/67/02/599836702.db2.gz OERBXXPHXKRVTO-UHFFFAOYSA-N -1 0 355.372 -0.237 20 0 FBADRM CCCN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000325100734 484505694 /nfs/dbraw/zinc/50/56/94/484505694.db2.gz VZMDTLAFCNZFMA-UHFFFAOYSA-N -1 0 359.404 -0.028 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cc1 ZINC000325141566 485332364 /nfs/dbraw/zinc/33/23/64/485332364.db2.gz ASVHDVHCEHCLLJ-UHFFFAOYSA-N -1 0 353.360 -0.087 20 0 FBADRM O=C([O-])c1cn(CCNS(=O)(=O)N2CCc3ccccc3C2)nn1 ZINC000325142898 485332582 /nfs/dbraw/zinc/33/25/82/485332582.db2.gz COSRNXUYBITHRQ-UHFFFAOYSA-N -1 0 351.388 -0.131 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC000325144129 485332360 /nfs/dbraw/zinc/33/23/60/485332360.db2.gz FFFUQQVKTCCAEW-UHFFFAOYSA-N -1 0 354.344 -0.259 20 0 FBADRM O=C([O-])c1cn(CCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)nn1 ZINC000325144942 483889660 /nfs/dbraw/zinc/88/96/60/483889660.db2.gz GHXGNMIYSGRMST-UHFFFAOYSA-N -1 0 352.332 -0.876 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cc1 ZINC000325150094 485332905 /nfs/dbraw/zinc/33/29/05/485332905.db2.gz NOFFOYKAXHDUHU-UHFFFAOYSA-N -1 0 353.360 -0.686 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cc1C(N)=O ZINC000325154494 485332501 /nfs/dbraw/zinc/33/25/01/485332501.db2.gz UTLOEYYNLSMVKJ-UHFFFAOYSA-N -1 0 353.360 -0.638 20 0 FBADRM COc1ccc(OC)c(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC000325156042 658910107 /nfs/dbraw/zinc/91/01/07/658910107.db2.gz XAGSQHIIWRZVOE-UHFFFAOYSA-N -1 0 356.360 -0.028 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cc1 ZINC000325168354 485333898 /nfs/dbraw/zinc/33/38/98/485333898.db2.gz OYYDCGGMLROOKQ-UHFFFAOYSA-N -1 0 354.344 -0.259 20 0 FBADRM C[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)CC(=O)[O-] ZINC000325200831 484507419 /nfs/dbraw/zinc/50/74/19/484507419.db2.gz HPJJIGPUZMZAPJ-JTQLQIEISA-N -1 0 359.404 -0.124 20 0 FBADRM C[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)CC(=O)[O-] ZINC000325200832 484507329 /nfs/dbraw/zinc/50/73/29/484507329.db2.gz HPJJIGPUZMZAPJ-SNVBAGLBSA-N -1 0 359.404 -0.124 20 0 FBADRM N#Cc1ccc(CS(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])cc1 ZINC000325236675 483889618 /nfs/dbraw/zinc/88/96/18/483889618.db2.gz QJUJYNCFWBZLDM-CYBMUJFWSA-N -1 0 372.424 -0.038 20 0 FBADRM N#Cc1ccc(CS(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])cc1 ZINC000325236677 484508670 /nfs/dbraw/zinc/50/86/70/484508670.db2.gz QJUJYNCFWBZLDM-ZDUSSCGKSA-N -1 0 372.424 -0.038 20 0 FBADRM CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](COC)C(=O)[O-])n(C)c1 ZINC000325241773 660360931 /nfs/dbraw/zinc/36/09/31/660360931.db2.gz XQCVBWXYRFSPHC-LLVKDONJSA-N -1 0 361.420 -0.115 20 0 FBADRM CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](COC)C(=O)[O-])n(C)c1 ZINC000325241774 660361175 /nfs/dbraw/zinc/36/11/75/660361175.db2.gz XQCVBWXYRFSPHC-NSHDSACASA-N -1 0 361.420 -0.115 20 0 FBADRM O=C([O-])C[C@@H]1COCCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000325269250 660361164 /nfs/dbraw/zinc/36/11/64/660361164.db2.gz AGQVMXRCKIOXFV-SECBINFHSA-N -1 0 356.356 -0.118 20 0 FBADRM O=C([O-])C[C@H]1COCCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000325269253 660361174 /nfs/dbraw/zinc/36/11/74/660361174.db2.gz AGQVMXRCKIOXFV-VIFPVBQESA-N -1 0 356.356 -0.118 20 0 FBADRM Cn1c(=O)oc2cc(S(=O)(=O)N3CCOC[C@H]3CC(=O)[O-])ccc21 ZINC000325316839 484510124 /nfs/dbraw/zinc/51/01/24/484510124.db2.gz BJNNVBVALRWDJZ-SECBINFHSA-N -1 0 356.356 -0.004 20 0 FBADRM Cn1c(=O)oc2cc(S(=O)(=O)N3CCOC[C@@H]3CC(=O)[O-])ccc21 ZINC000325316840 484509239 /nfs/dbraw/zinc/50/92/39/484509239.db2.gz BJNNVBVALRWDJZ-VIFPVBQESA-N -1 0 356.356 -0.004 20 0 FBADRM O=C([O-])c1cccc(CS(=O)(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC000325347807 600264898 /nfs/dbraw/zinc/26/48/98/600264898.db2.gz DZZDVSZZHAJCCJ-AWEZNQCLSA-N -1 0 353.356 -0.502 20 0 FBADRM O=C([O-])c1cccc(CS(=O)(=O)N2CC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000325347808 600265172 /nfs/dbraw/zinc/26/51/72/600265172.db2.gz DZZDVSZZHAJCCJ-CQSZACIVSA-N -1 0 353.356 -0.502 20 0 FBADRM O=C([O-])C1(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CCC1 ZINC000325360304 484684332 /nfs/dbraw/zinc/68/43/32/484684332.db2.gz PCZJLYIJBSLOJB-UHFFFAOYSA-N -1 0 357.388 -0.227 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](CCC(=O)OC)C(=O)[O-] ZINC000325361025 485334666 /nfs/dbraw/zinc/33/46/66/485334666.db2.gz MUOATNPRXXPTKX-NXEZZACHSA-N -1 0 366.392 -0.745 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)[O-] ZINC000325361026 485334475 /nfs/dbraw/zinc/33/44/75/485334475.db2.gz MUOATNPRXXPTKX-UWVGGRQHSA-N -1 0 366.392 -0.745 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)[O-] ZINC000325361027 485334758 /nfs/dbraw/zinc/33/47/58/485334758.db2.gz MUOATNPRXXPTKX-VHSXEESVSA-N -1 0 366.392 -0.745 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](CCC(=O)OC)C(=O)[O-] ZINC000325361028 485334782 /nfs/dbraw/zinc/33/47/82/485334782.db2.gz MUOATNPRXXPTKX-ZJUUUORDSA-N -1 0 366.392 -0.745 20 0 FBADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CCO1 ZINC000325363434 599984023 /nfs/dbraw/zinc/98/40/23/599984023.db2.gz IGGULUPWCOENCU-GFCCVEGCSA-N -1 0 359.356 -0.288 20 0 FBADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CCO1 ZINC000325363436 599983870 /nfs/dbraw/zinc/98/38/70/599983870.db2.gz IGGULUPWCOENCU-LBPRGKRZSA-N -1 0 359.356 -0.288 20 0 FBADRM O=C([O-])Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000325368035 600265163 /nfs/dbraw/zinc/26/51/63/600265163.db2.gz JIMLCDCYEIKNHX-AWEZNQCLSA-N -1 0 353.356 -0.714 20 0 FBADRM O=C([O-])Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000325368037 600265097 /nfs/dbraw/zinc/26/50/97/600265097.db2.gz JIMLCDCYEIKNHX-CQSZACIVSA-N -1 0 353.356 -0.714 20 0 FBADRM COc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)cc1C(N)=O ZINC000325372076 658910979 /nfs/dbraw/zinc/91/09/79/658910979.db2.gz KJHAZIFRIHZACP-UHFFFAOYSA-N -1 0 358.372 -0.294 20 0 FBADRM O=C([O-])C1(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CCOCC1 ZINC000325399869 485334628 /nfs/dbraw/zinc/33/46/28/485334628.db2.gz GCYDNSYHCMMTDY-UHFFFAOYSA-N -1 0 356.356 -0.070 20 0 FBADRM Cn1cc([C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C(=O)[O-])cn1 ZINC000325402956 485334254 /nfs/dbraw/zinc/33/42/54/485334254.db2.gz HJLRUHFMKXENCQ-LLVKDONJSA-N -1 0 351.344 -0.306 20 0 FBADRM Cn1cc([C@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C(=O)[O-])cn1 ZINC000325402957 485334796 /nfs/dbraw/zinc/33/47/96/485334796.db2.gz HJLRUHFMKXENCQ-NSHDSACASA-N -1 0 351.344 -0.306 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000325405740 484809793 /nfs/dbraw/zinc/80/97/93/484809793.db2.gz QWOFRCFIEJEHFS-VHSXEESVSA-N -1 0 359.404 -0.604 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cc1 ZINC000325423786 485334792 /nfs/dbraw/zinc/33/47/92/485334792.db2.gz OTRHPIOTHHJVMZ-UHFFFAOYSA-N -1 0 353.360 -0.799 20 0 FBADRM COc1ccc(OC)c(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000325430980 485334401 /nfs/dbraw/zinc/33/44/01/485334401.db2.gz RDTSTOBOMJURHU-UHFFFAOYSA-N -1 0 356.360 -0.142 20 0 FBADRM Cn1cc([C@@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C(=O)[O-])cn1 ZINC000325439880 485334315 /nfs/dbraw/zinc/33/43/15/485334315.db2.gz UMGXSJRDCZWKKK-GFCCVEGCSA-N -1 0 373.412 -0.072 20 0 FBADRM Cn1cc([C@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C(=O)[O-])cn1 ZINC000325439882 485334409 /nfs/dbraw/zinc/33/44/09/485334409.db2.gz UMGXSJRDCZWKKK-LBPRGKRZSA-N -1 0 373.412 -0.072 20 0 FBADRM Cn1cc([C@@H](NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C(=O)[O-])cn1 ZINC000325452272 485334918 /nfs/dbraw/zinc/33/49/18/485334918.db2.gz YAMNJCZOMKCOEG-LLVKDONJSA-N -1 0 374.400 -0.828 20 0 FBADRM Cn1cc([C@H](NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C(=O)[O-])cn1 ZINC000325452273 485334460 /nfs/dbraw/zinc/33/44/60/485334460.db2.gz YAMNJCZOMKCOEG-NSHDSACASA-N -1 0 374.400 -0.828 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)CC1 ZINC000325453066 485334642 /nfs/dbraw/zinc/33/46/42/485334642.db2.gz YEDGALLKLPDNFU-LLVKDONJSA-N -1 0 360.392 -0.735 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)CC1 ZINC000325453068 485334913 /nfs/dbraw/zinc/33/49/13/485334913.db2.gz YEDGALLKLPDNFU-NSHDSACASA-N -1 0 360.392 -0.735 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)cc1C(N)=O ZINC000325455054 485334454 /nfs/dbraw/zinc/33/44/54/485334454.db2.gz YSGVFMJNZWXOHS-GFCCVEGCSA-N -1 0 352.372 -0.068 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)cc1C(N)=O ZINC000325455055 485334242 /nfs/dbraw/zinc/33/42/42/485334242.db2.gz YSGVFMJNZWXOHS-LBPRGKRZSA-N -1 0 352.372 -0.068 20 0 FBADRM Cn1cc(S(=O)(=O)NCCC(C)(C)CCC(=O)[O-])c(=O)n(C)c1=O ZINC000325482852 484165325 /nfs/dbraw/zinc/16/53/25/484165325.db2.gz LNXPWEAPTVZUOD-UHFFFAOYSA-N -1 0 361.420 -0.357 20 0 FBADRM CCN(CC)S(=O)(=O)c1cc(C(=O)NCCOCC(=O)[O-])n(C)c1 ZINC000325514476 660394707 /nfs/dbraw/zinc/39/47/07/660394707.db2.gz FIEFQIRALZBNOS-UHFFFAOYSA-N -1 0 361.420 -0.113 20 0 FBADRM N#Cc1ccccc1CS(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000325516179 660394768 /nfs/dbraw/zinc/39/47/68/660394768.db2.gz QYZVREUMAJKYGR-CYBMUJFWSA-N -1 0 372.424 -0.038 20 0 FBADRM N#Cc1ccccc1CS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000325516180 660394660 /nfs/dbraw/zinc/39/46/60/660394660.db2.gz QYZVREUMAJKYGR-ZDUSSCGKSA-N -1 0 372.424 -0.038 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)[O-] ZINC000325525230 485335459 /nfs/dbraw/zinc/33/54/59/485335459.db2.gz DRSHUXOBZVLOLD-NSHDSACASA-N -1 0 356.356 -0.134 20 0 FBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1ccc(C)c(C(N)=O)c1)C(=O)[O-] ZINC000325534162 485335787 /nfs/dbraw/zinc/33/57/87/485335787.db2.gz FVYWNTQKSGRAIL-LLVKDONJSA-N -1 0 358.372 -0.221 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1ccc(C)c(C(N)=O)c1)C(=O)[O-] ZINC000325534165 485335790 /nfs/dbraw/zinc/33/57/90/485335790.db2.gz FVYWNTQKSGRAIL-NSHDSACASA-N -1 0 358.372 -0.221 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])C1 ZINC000325535289 657312529 /nfs/dbraw/zinc/31/25/29/657312529.db2.gz UNAAAZDHCLUKRE-NEPJUHHUSA-N -1 0 364.420 -0.318 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])C1 ZINC000325535290 657312515 /nfs/dbraw/zinc/31/25/15/657312515.db2.gz UNAAAZDHCLUKRE-NWDGAFQWSA-N -1 0 364.420 -0.318 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])C1 ZINC000325535291 657312320 /nfs/dbraw/zinc/31/23/20/657312320.db2.gz UNAAAZDHCLUKRE-RYUDHWBXSA-N -1 0 364.420 -0.318 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])C1 ZINC000325535292 657313120 /nfs/dbraw/zinc/31/31/20/657313120.db2.gz UNAAAZDHCLUKRE-VXGBXAGGSA-N -1 0 364.420 -0.318 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)cn1C ZINC000325560191 485335718 /nfs/dbraw/zinc/33/57/18/485335718.db2.gz WUXJLRXDHJQGIM-LLVKDONJSA-N -1 0 355.376 -0.778 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)cn1C ZINC000325560195 485335671 /nfs/dbraw/zinc/33/56/71/485335671.db2.gz WUXJLRXDHJQGIM-NSHDSACASA-N -1 0 355.376 -0.778 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000325567086 485139752 /nfs/dbraw/zinc/13/97/52/485139752.db2.gz NACCDIPMSLBZCC-GHMZBOCLSA-N -1 0 358.420 -0.272 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000325567087 485139308 /nfs/dbraw/zinc/13/93/08/485139308.db2.gz NACCDIPMSLBZCC-MNOVXSKESA-N -1 0 358.420 -0.272 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000325567088 485139223 /nfs/dbraw/zinc/13/92/23/485139223.db2.gz NACCDIPMSLBZCC-QWRGUYRKSA-N -1 0 358.420 -0.272 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000325567089 485139735 /nfs/dbraw/zinc/13/97/35/485139735.db2.gz NACCDIPMSLBZCC-WDEREUQCSA-N -1 0 358.420 -0.272 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC000325568774 483668619 /nfs/dbraw/zinc/66/86/19/483668619.db2.gz IKRAWKBWSBPPAH-UHFFFAOYSA-N -1 0 355.416 -0.122 20 0 FBADRM CCOc1ccc(S(=O)(=O)N[C@H]2CCC(=O)NC2=O)cc1C(=O)[O-] ZINC000325570950 845925938 /nfs/dbraw/zinc/92/59/38/845925938.db2.gz NSHGUCRHTAJQRQ-JTQLQIEISA-N -1 0 356.356 -0.133 20 0 FBADRM CCOc1ccc(S(=O)(=O)N[C@@H]2CCC(=O)NC2=O)cc1C(=O)[O-] ZINC000325570953 845926131 /nfs/dbraw/zinc/92/61/31/845926131.db2.gz NSHGUCRHTAJQRQ-SNVBAGLBSA-N -1 0 356.356 -0.133 20 0 FBADRM COC(=O)[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000325602264 601392819 /nfs/dbraw/zinc/39/28/19/601392819.db2.gz ADRLTNVPIJDVDD-JTQLQIEISA-N -1 0 359.356 -0.044 20 0 FBADRM COC(=O)[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000325602268 601392872 /nfs/dbraw/zinc/39/28/72/601392872.db2.gz ADRLTNVPIJDVDD-SNVBAGLBSA-N -1 0 359.356 -0.044 20 0 FBADRM C[C@]12CCC(=O)N1[C@H](C(=O)N1CC(n3cc(C(=O)[O-])nn3)C1)CS2 ZINC000325602583 605530470 /nfs/dbraw/zinc/53/04/70/605530470.db2.gz RWVNULUMCBXRJX-HZMBPMFUSA-N -1 0 351.388 -0.186 20 0 FBADRM C[C@@]12CCC(=O)N1[C@H](C(=O)N1CC(n3cc(C(=O)[O-])nn3)C1)CS2 ZINC000325602584 605530493 /nfs/dbraw/zinc/53/04/93/605530493.db2.gz RWVNULUMCBXRJX-IINYFYTJSA-N -1 0 351.388 -0.186 20 0 FBADRM C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CC(n3cc(C(=O)[O-])nn3)C1)CS2 ZINC000325602585 605530583 /nfs/dbraw/zinc/53/05/83/605530583.db2.gz RWVNULUMCBXRJX-QMTHXVAHSA-N -1 0 351.388 -0.186 20 0 FBADRM C[C@]12CCC(=O)N1[C@@H](C(=O)N1CC(n3cc(C(=O)[O-])nn3)C1)CS2 ZINC000325602586 605530495 /nfs/dbraw/zinc/53/04/95/605530495.db2.gz RWVNULUMCBXRJX-YGRLFVJLSA-N -1 0 351.388 -0.186 20 0 FBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)N2CC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000325608992 600265175 /nfs/dbraw/zinc/26/51/75/600265175.db2.gz HKHJUCFTBWMPKQ-CYBMUJFWSA-N -1 0 357.319 -0.504 20 0 FBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC000325608993 600265032 /nfs/dbraw/zinc/26/50/32/600265032.db2.gz HKHJUCFTBWMPKQ-ZDUSSCGKSA-N -1 0 357.319 -0.504 20 0 FBADRM O=C([O-])Cn1cc(CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)nn1 ZINC000325612374 485335705 /nfs/dbraw/zinc/33/57/05/485335705.db2.gz IAPFIRSGBPPJOX-UHFFFAOYSA-N -1 0 352.332 -0.989 20 0 FBADRM COc1ccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cc1OC ZINC000325620776 485335276 /nfs/dbraw/zinc/33/52/76/485335276.db2.gz JFSUUBIOFRUYQS-UHFFFAOYSA-N -1 0 356.360 -0.142 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-] ZINC000325633954 485336578 /nfs/dbraw/zinc/33/65/78/485336578.db2.gz UWZDPJXYKDTUAY-JTQLQIEISA-N -1 0 366.392 -0.888 20 0 FBADRM COC(=O)CC[C@@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-] ZINC000325633955 485336019 /nfs/dbraw/zinc/33/60/19/485336019.db2.gz UWZDPJXYKDTUAY-SNVBAGLBSA-N -1 0 366.392 -0.888 20 0 FBADRM C[C@H](CCC[C@@H](C)C(=O)[O-])NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000325634349 485336216 /nfs/dbraw/zinc/33/62/16/485336216.db2.gz VDNGNQYDIFOSLZ-NXEZZACHSA-N -1 0 361.420 -0.358 20 0 FBADRM C[C@@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000325634350 485336081 /nfs/dbraw/zinc/33/60/81/485336081.db2.gz VDNGNQYDIFOSLZ-UWVGGRQHSA-N -1 0 361.420 -0.358 20 0 FBADRM C[C@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000325634351 485336496 /nfs/dbraw/zinc/33/64/96/485336496.db2.gz VDNGNQYDIFOSLZ-VHSXEESVSA-N -1 0 361.420 -0.358 20 0 FBADRM C[C@H](CCC[C@H](C)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000325634352 485336011 /nfs/dbraw/zinc/33/60/11/485336011.db2.gz VDNGNQYDIFOSLZ-ZJUUUORDSA-N -1 0 361.420 -0.358 20 0 FBADRM CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@](C)(O)C(=O)[O-])n(C)c1 ZINC000325651251 657332870 /nfs/dbraw/zinc/33/28/70/657332870.db2.gz KVNPSHOVKBIFFG-AWEZNQCLSA-N -1 0 361.420 -0.379 20 0 FBADRM CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@](C)(O)C(=O)[O-])n(C)c1 ZINC000325651252 657332963 /nfs/dbraw/zinc/33/29/63/657332963.db2.gz KVNPSHOVKBIFFG-CQSZACIVSA-N -1 0 361.420 -0.379 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NCCC(=O)N2CCOCC2)ccc1O ZINC000325666163 657333657 /nfs/dbraw/zinc/33/36/57/657333657.db2.gz COHLMNGDZMCVNI-UHFFFAOYSA-N -1 0 358.372 -0.382 20 0 FBADRM COc1cc(S(=O)(=O)N2CCN(C)C(=O)C2)cc(C(=O)[O-])c1OC ZINC000325668516 485336462 /nfs/dbraw/zinc/33/64/62/485336462.db2.gz GCSCDLRSGVJSLL-UHFFFAOYSA-N -1 0 358.372 -0.135 20 0 FBADRM COC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000325693105 601393130 /nfs/dbraw/zinc/39/31/30/601393130.db2.gz QSVGWIWPCRRMNG-LLVKDONJSA-N -1 0 359.356 -0.044 20 0 FBADRM COC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000325693107 601393235 /nfs/dbraw/zinc/39/32/35/601393235.db2.gz QSVGWIWPCRRMNG-NSHDSACASA-N -1 0 359.356 -0.044 20 0 FBADRM Cn1cc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)c(=O)n(C)c1=O ZINC000325705732 485336063 /nfs/dbraw/zinc/33/60/63/485336063.db2.gz RFCKUJZLQGLAND-UHFFFAOYSA-N -1 0 353.356 -0.488 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])cc1C(N)=O ZINC000325717128 536871743 /nfs/dbraw/zinc/87/17/43/536871743.db2.gz SQPHELLLYJSQNR-SECBINFHSA-N -1 0 358.372 -0.342 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1C(N)=O ZINC000325717129 485141930 /nfs/dbraw/zinc/14/19/30/485141930.db2.gz SQPHELLLYJSQNR-VIFPVBQESA-N -1 0 358.372 -0.342 20 0 FBADRM C[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1nc(C(=O)[O-])cs1 ZINC000325734990 484923415 /nfs/dbraw/zinc/92/34/15/484923415.db2.gz BJIKNOXGOUJPAJ-LURJTMIESA-N -1 0 374.400 -0.722 20 0 FBADRM NS(=O)(=O)c1ccc(CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000325739056 601762249 /nfs/dbraw/zinc/76/22/49/601762249.db2.gz BXWAMNIDMCAAAR-LLVKDONJSA-N -1 0 357.388 -0.281 20 0 FBADRM NS(=O)(=O)c1ccc(CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000325739058 601761934 /nfs/dbraw/zinc/76/19/34/601761934.db2.gz BXWAMNIDMCAAAR-NSHDSACASA-N -1 0 357.388 -0.281 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)cc1C(=O)[O-] ZINC000325771366 600784311 /nfs/dbraw/zinc/78/43/11/600784311.db2.gz KSTLXRLXWXVBME-AWEZNQCLSA-N -1 0 353.356 -0.334 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)NC(=O)NC3=O)cc1C(=O)[O-] ZINC000325771367 600784434 /nfs/dbraw/zinc/78/44/34/600784434.db2.gz KSTLXRLXWXVBME-CQSZACIVSA-N -1 0 353.356 -0.334 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@]3(C2)NC(=O)NC3=O)ccc1F ZINC000325788529 601247505 /nfs/dbraw/zinc/24/75/05/601247505.db2.gz NDQPZYKCJABQKG-CYBMUJFWSA-N -1 0 357.319 -0.504 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)ccc1F ZINC000325788533 601247590 /nfs/dbraw/zinc/24/75/90/601247590.db2.gz NDQPZYKCJABQKG-ZDUSSCGKSA-N -1 0 357.319 -0.504 20 0 FBADRM Cn1cc(S(=O)(=O)NC2(CC(=O)[O-])CCCCC2)c(=O)n(C)c1=O ZINC000325788733 601265922 /nfs/dbraw/zinc/26/59/22/601265922.db2.gz WCGSKJOOEIXFMV-UHFFFAOYSA-N -1 0 359.404 -0.460 20 0 FBADRM O=C([O-])c1ccc(CS(=O)(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000325791437 600264986 /nfs/dbraw/zinc/26/49/86/600264986.db2.gz NQXKYQXHNJTFER-AWEZNQCLSA-N -1 0 353.356 -0.502 20 0 FBADRM O=C([O-])c1ccc(CS(=O)(=O)N2CC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000325791438 600265157 /nfs/dbraw/zinc/26/51/57/600265157.db2.gz NQXKYQXHNJTFER-CQSZACIVSA-N -1 0 353.356 -0.502 20 0 FBADRM O=C([O-])Cn1cc(CNS(=O)(=O)N2CCc3ccccc3C2)nn1 ZINC000325793035 485336021 /nfs/dbraw/zinc/33/60/21/485336021.db2.gz NWXYWEYPCDBVQW-UHFFFAOYSA-N -1 0 351.388 -0.245 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000325813323 485336156 /nfs/dbraw/zinc/33/61/56/485336156.db2.gz RQFWNULYHSWOOD-UHFFFAOYSA-N -1 0 354.344 -0.372 20 0 FBADRM O=C([O-])Cn1cc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)nn1 ZINC000325835244 485336275 /nfs/dbraw/zinc/33/62/75/485336275.db2.gz XJALQGJMQBOGQC-UHFFFAOYSA-N -1 0 354.344 -0.388 20 0 FBADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)CCO1 ZINC000325869845 601236691 /nfs/dbraw/zinc/23/66/91/601236691.db2.gz KRLLKVLLHQLPIS-LLVKDONJSA-N -1 0 359.356 -0.044 20 0 FBADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)CCO1 ZINC000325869846 601236588 /nfs/dbraw/zinc/23/65/88/601236588.db2.gz KRLLKVLLHQLPIS-NSHDSACASA-N -1 0 359.356 -0.044 20 0 FBADRM Cn1c(=O)oc2cc(S(=O)(=O)N3CCO[C@H](CC(=O)[O-])C3)ccc21 ZINC000325875670 601398769 /nfs/dbraw/zinc/39/87/69/601398769.db2.gz MGHVBQAERSMHAC-SECBINFHSA-N -1 0 356.356 -0.004 20 0 FBADRM Cn1c(=O)oc2cc(S(=O)(=O)N3CCO[C@@H](CC(=O)[O-])C3)ccc21 ZINC000325875672 601398720 /nfs/dbraw/zinc/39/87/20/601398720.db2.gz MGHVBQAERSMHAC-VIFPVBQESA-N -1 0 356.356 -0.004 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1 ZINC000325877025 660115298 /nfs/dbraw/zinc/11/52/98/660115298.db2.gz MIPXOWPGEAYWJZ-VIFPVBQESA-N -1 0 357.392 -0.969 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC000325884281 601397707 /nfs/dbraw/zinc/39/77/07/601397707.db2.gz OKJKCPMPYRJGSU-NEPJUHHUSA-N -1 0 364.420 -0.318 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC000325884282 601397545 /nfs/dbraw/zinc/39/75/45/601397545.db2.gz OKJKCPMPYRJGSU-NWDGAFQWSA-N -1 0 364.420 -0.318 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC000325884283 601397688 /nfs/dbraw/zinc/39/76/88/601397688.db2.gz OKJKCPMPYRJGSU-RYUDHWBXSA-N -1 0 364.420 -0.318 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC000325884284 601397808 /nfs/dbraw/zinc/39/78/08/601397808.db2.gz OKJKCPMPYRJGSU-VXGBXAGGSA-N -1 0 364.420 -0.318 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1C(N)=O ZINC000325889419 601398811 /nfs/dbraw/zinc/39/88/11/601398811.db2.gz QITKLYJUWKJPSF-SECBINFHSA-N -1 0 358.372 -0.342 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1C(N)=O ZINC000325889421 601398615 /nfs/dbraw/zinc/39/86/15/601398615.db2.gz QITKLYJUWKJPSF-VIFPVBQESA-N -1 0 358.372 -0.342 20 0 FBADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)CCO1 ZINC000325902541 600582670 /nfs/dbraw/zinc/58/26/70/600582670.db2.gz XFQQABGSLZXLTL-GFCCVEGCSA-N -1 0 359.356 -0.044 20 0 FBADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)CCO1 ZINC000325902542 600582611 /nfs/dbraw/zinc/58/26/11/600582611.db2.gz XFQQABGSLZXLTL-LBPRGKRZSA-N -1 0 359.356 -0.044 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000325903138 657382485 /nfs/dbraw/zinc/38/24/85/657382485.db2.gz VVTJZIGRMBVJTE-LLVKDONJSA-N -1 0 357.392 -0.826 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000325903139 658955981 /nfs/dbraw/zinc/95/59/81/658955981.db2.gz VVTJZIGRMBVJTE-NSHDSACASA-N -1 0 357.392 -0.826 20 0 FBADRM COC(=O)CCN1CCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CC1 ZINC000325908178 600340969 /nfs/dbraw/zinc/34/09/69/600340969.db2.gz ZARSYRAHZYYDMT-UHFFFAOYSA-N -1 0 360.392 -0.714 20 0 FBADRM COC(=O)CC[C@@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000325944057 657386363 /nfs/dbraw/zinc/38/63/63/657386363.db2.gz ZMUITQZNIFCESI-SNVBAGLBSA-N -1 0 359.360 -0.138 20 0 FBADRM Cn1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)c(=O)n(C)c1=O ZINC000325967361 483905106 /nfs/dbraw/zinc/90/51/06/483905106.db2.gz SXHYRIHYYTUIHN-UHFFFAOYSA-N -1 0 357.319 -0.278 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cc1C(N)=O ZINC000325983927 483904275 /nfs/dbraw/zinc/90/42/75/483904275.db2.gz ZZOBWQDLLISNFG-GFCCVEGCSA-N -1 0 352.372 -0.209 20 0 FBADRM O=C([O-])Cc1ccc(S(=O)(=O)NCCC(=O)N2CCOCC2)cc1 ZINC000326179094 600646647 /nfs/dbraw/zinc/64/66/47/600646647.db2.gz LQKULNOLHKCWHJ-UHFFFAOYSA-N -1 0 356.400 -0.159 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(CC(=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000326191749 483890705 /nfs/dbraw/zinc/89/07/05/483890705.db2.gz NXSBROZTZFRHBA-LLVKDONJSA-N -1 0 356.400 -0.161 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(CC(=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000326191778 483890660 /nfs/dbraw/zinc/89/06/60/483890660.db2.gz NXSBROZTZFRHBA-NSHDSACASA-N -1 0 356.400 -0.161 20 0 FBADRM COc1ccc(S(=O)(=O)NCC(=O)N2CCOCC2)cc1C(=O)[O-] ZINC000326204249 845940845 /nfs/dbraw/zinc/94/08/45/845940845.db2.gz PVWQQSDEYQSWSW-UHFFFAOYSA-N -1 0 358.372 -0.470 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)NCC(=O)N2CCOCC2)cc1 ZINC000326223334 845941870 /nfs/dbraw/zinc/94/18/70/845941870.db2.gz TVWPUZSETSMVBA-UHFFFAOYSA-N -1 0 358.372 -0.713 20 0 FBADRM O=C([O-])CCc1ccc(S(=O)(=O)NCC(=O)N2CCOCC2)cc1 ZINC000326245767 845941855 /nfs/dbraw/zinc/94/18/55/845941855.db2.gz YQTDQIBYGHDPNO-UHFFFAOYSA-N -1 0 356.400 -0.159 20 0 FBADRM COc1cc(S(=O)(=O)NCCOCC(N)=O)cc(C(=O)[O-])c1OC ZINC000326248460 484427485 /nfs/dbraw/zinc/42/74/85/484427485.db2.gz NTZLVFRBJXKBOJ-UHFFFAOYSA-N -1 0 362.360 -0.818 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@@H](COC(C)(C)C)C(=O)[O-])CC1 ZINC000326275470 484428078 /nfs/dbraw/zinc/42/80/78/484428078.db2.gz ATOJJBIQQZADFD-NSHDSACASA-N -1 0 366.436 -0.026 20 0 FBADRM CCOc1ccc(S(=O)(=O)NCC(=O)NCCOC)cc1C(=O)[O-] ZINC000326332907 483890557 /nfs/dbraw/zinc/89/05/57/483890557.db2.gz PMKJABKAESPRCN-UHFFFAOYSA-N -1 0 360.388 -0.176 20 0 FBADRM CNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2C)CC1 ZINC000326362821 601255468 /nfs/dbraw/zinc/25/54/68/601255468.db2.gz COOLCMFYZDEFDW-UHFFFAOYSA-N -1 0 355.416 -0.254 20 0 FBADRM Cc1cc(S(=O)(=O)NC2CCN(CC(N)=O)CC2)ccc1C(=O)[O-] ZINC000326370709 600699671 /nfs/dbraw/zinc/69/96/71/600699671.db2.gz FGCIWHWGMZOPOQ-UHFFFAOYSA-N -1 0 355.416 -0.079 20 0 FBADRM CNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)CC1 ZINC000326481238 601254845 /nfs/dbraw/zinc/25/48/45/601254845.db2.gz CXWLSWNXJAIYQU-UHFFFAOYSA-N -1 0 355.416 -0.254 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC(OC)(C(=O)[O-])CC1 ZINC000326488599 660178329 /nfs/dbraw/zinc/17/83/29/660178329.db2.gz FLACVSAUSIWUKO-LLVKDONJSA-N -1 0 364.420 -0.176 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC(OC)(C(=O)[O-])CC1 ZINC000326488600 657465487 /nfs/dbraw/zinc/46/54/87/657465487.db2.gz FLACVSAUSIWUKO-NSHDSACASA-N -1 0 364.420 -0.176 20 0 FBADRM CCn1cc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1C(=O)[O-] ZINC000326503458 658913227 /nfs/dbraw/zinc/91/32/27/658913227.db2.gz LKPDCIRQOMDUOV-JTQLQIEISA-N -1 0 359.404 -0.268 20 0 FBADRM CCn1cc(S(=O)(=O)N[C@H](C)C(=O)N2CCOCC2)cc1C(=O)[O-] ZINC000326503462 658913295 /nfs/dbraw/zinc/91/32/95/658913295.db2.gz LKPDCIRQOMDUOV-SNVBAGLBSA-N -1 0 359.404 -0.268 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CCC(OC)(C(=O)[O-])CC2)cn1C ZINC000326516738 657470298 /nfs/dbraw/zinc/47/02/98/657470298.db2.gz LHXLOEDKHFAPAG-UHFFFAOYSA-N -1 0 359.404 -0.361 20 0 FBADRM NC(=O)CN1CCC([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000326537997 657471239 /nfs/dbraw/zinc/47/12/39/657471239.db2.gz JTERHIOSGMNQOC-UHFFFAOYSA-N -1 0 360.367 -0.038 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000326553176 483890864 /nfs/dbraw/zinc/89/08/64/483890864.db2.gz PBIUYEMPAKGOJU-AWEZNQCLSA-N -1 0 364.420 -0.461 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000326553181 483891197 /nfs/dbraw/zinc/89/11/97/483891197.db2.gz PBIUYEMPAKGOJU-CQSZACIVSA-N -1 0 364.420 -0.461 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CC[C@](COC)(C(=O)[O-])C2)cn1C ZINC000326571507 483909601 /nfs/dbraw/zinc/90/96/01/483909601.db2.gz WLCWBDHUVZRIJT-AWEZNQCLSA-N -1 0 359.404 -0.504 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CC[C@@](COC)(C(=O)[O-])C2)cn1C ZINC000326571508 483909536 /nfs/dbraw/zinc/90/95/36/483909536.db2.gz WLCWBDHUVZRIJT-CQSZACIVSA-N -1 0 359.404 -0.504 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000326574357 485137979 /nfs/dbraw/zinc/13/79/79/485137979.db2.gz XLUPPFHGTXWCJI-AWEZNQCLSA-N -1 0 355.372 -0.032 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000326574358 485137428 /nfs/dbraw/zinc/13/74/28/485137428.db2.gz XLUPPFHGTXWCJI-CQSZACIVSA-N -1 0 355.372 -0.032 20 0 FBADRM Cc1cc(CN2CCN(S(=O)(=O)c3cnn(CC(=O)[O-])c3)CC2)on1 ZINC000326594656 600697859 /nfs/dbraw/zinc/69/78/59/600697859.db2.gz HDUSPVQCTGGJFE-UHFFFAOYSA-N -1 0 369.403 -0.229 20 0 FBADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000326637251 600265186 /nfs/dbraw/zinc/26/51/86/600265186.db2.gz SKNACZKPJHYGOW-AWEZNQCLSA-N -1 0 353.356 -0.334 20 0 FBADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000326637253 600264924 /nfs/dbraw/zinc/26/49/24/600264924.db2.gz SKNACZKPJHYGOW-CQSZACIVSA-N -1 0 353.356 -0.334 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccccc2)c(=O)n(C)c1=O ZINC000326652421 601188017 /nfs/dbraw/zinc/18/80/17/601188017.db2.gz BCWRONODGOJTRJ-LLVKDONJSA-N -1 0 367.383 -0.422 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c(=O)n(C)c1=O ZINC000326652422 601188013 /nfs/dbraw/zinc/18/80/13/601188013.db2.gz BCWRONODGOJTRJ-NSHDSACASA-N -1 0 367.383 -0.422 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)NC2CCN(c3ncccn3)CC2)cn1 ZINC000326657777 600710991 /nfs/dbraw/zinc/71/09/91/600710991.db2.gz IAEZLDNGQMIRNJ-UHFFFAOYSA-N -1 0 366.403 -0.295 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)cc1C(N)=O ZINC000326685022 845941411 /nfs/dbraw/zinc/94/14/11/845941411.db2.gz OSMHLENYXXZLHY-UHFFFAOYSA-N -1 0 371.415 -0.425 20 0 FBADRM CN(C)C(=O)CN1CCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000326726327 601917874 /nfs/dbraw/zinc/91/78/74/601917874.db2.gz CYPUBYBCTVQERT-UHFFFAOYSA-N -1 0 369.443 -0.080 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1 ZINC000326741431 601821273 /nfs/dbraw/zinc/82/12/73/601821273.db2.gz DKVSSJAQWPVEBH-UHFFFAOYSA-N -1 0 350.375 -0.357 20 0 FBADRM CNC(=O)CN1CCC(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC000326753904 600647786 /nfs/dbraw/zinc/64/77/86/600647786.db2.gz IZOCGPJCQDSBHG-UHFFFAOYSA-N -1 0 369.443 -0.198 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000326756394 597028813 /nfs/dbraw/zinc/02/88/13/597028813.db2.gz NEKXBZJVSOVKLG-UHFFFAOYSA-N -1 0 371.415 -0.352 20 0 FBADRM CC(=O)N1CCCc2cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])ccc21 ZINC000326759653 483501861 /nfs/dbraw/zinc/50/18/61/483501861.db2.gz NZHNKKUZRMCZFX-GFCCVEGCSA-N -1 0 369.399 -0.407 20 0 FBADRM CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])ccc21 ZINC000326759655 483502714 /nfs/dbraw/zinc/50/27/14/483502714.db2.gz NZHNKKUZRMCZFX-LBPRGKRZSA-N -1 0 369.399 -0.407 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)CSCC(=O)N2CCOCC2)C1 ZINC000326760080 657508313 /nfs/dbraw/zinc/50/83/13/657508313.db2.gz NQLACHCJEILEOI-HNNXBMFYSA-N -1 0 360.432 -0.472 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)CSCC(=O)N2CCOCC2)C1 ZINC000326760081 657508599 /nfs/dbraw/zinc/50/85/99/657508599.db2.gz NQLACHCJEILEOI-OAHLLOKOSA-N -1 0 360.432 -0.472 20 0 FBADRM CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000326783111 599741742 /nfs/dbraw/zinc/74/17/42/599741742.db2.gz UZMGVARBTRWLIY-UHFFFAOYSA-N -1 0 371.415 -0.306 20 0 FBADRM NC(=O)[C@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)c2ccccc2O1 ZINC000326794855 600691777 /nfs/dbraw/zinc/69/17/77/600691777.db2.gz YFGALCDZDCZHCI-GFCCVEGCSA-N -1 0 366.355 -0.591 20 0 FBADRM NC(=O)[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)c2ccccc2O1 ZINC000326794856 600691606 /nfs/dbraw/zinc/69/16/06/600691606.db2.gz YFGALCDZDCZHCI-LBPRGKRZSA-N -1 0 366.355 -0.591 20 0 FBADRM CC(=O)N1CCCc2cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])ccc21 ZINC000326795646 483503535 /nfs/dbraw/zinc/50/35/35/483503535.db2.gz YIGVCUWGGKQUAF-UHFFFAOYSA-N -1 0 369.399 -0.535 20 0 FBADRM CN(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC000326830731 601912300 /nfs/dbraw/zinc/91/23/00/601912300.db2.gz ICYPYJSHQGGEBC-UHFFFAOYSA-N -1 0 369.443 -0.292 20 0 FBADRM O=C([O-])Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000326835013 600646898 /nfs/dbraw/zinc/64/68/98/600646898.db2.gz JVKJIGAPBJEOGW-UHFFFAOYSA-N -1 0 367.383 -0.324 20 0 FBADRM CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC000326839666 600647046 /nfs/dbraw/zinc/64/70/46/600647046.db2.gz LANMQBROMVSBDW-UHFFFAOYSA-N -1 0 369.443 -0.244 20 0 FBADRM Cn1cc(S(=O)(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c(=O)n(C)c1=O ZINC000326854337 483910117 /nfs/dbraw/zinc/91/01/17/483910117.db2.gz RCOXIJMQYSIVLE-UHFFFAOYSA-N -1 0 365.367 -0.513 20 0 FBADRM O=C([O-])c1cccc(CS(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000326855199 600222900 /nfs/dbraw/zinc/22/29/00/600222900.db2.gz RASLZQRPKWALLR-UHFFFAOYSA-N -1 0 367.383 -0.111 20 0 FBADRM CCNC(=O)CN1CCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000326860671 600163664 /nfs/dbraw/zinc/16/36/64/600163664.db2.gz UGPXEVBWYNWBSF-UHFFFAOYSA-N -1 0 369.443 -0.032 20 0 FBADRM CN(C)C(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CC1 ZINC000326872701 657513401 /nfs/dbraw/zinc/51/34/01/657513401.db2.gz ZOCZTUFGUKUOPO-UHFFFAOYSA-N -1 0 373.406 -0.082 20 0 FBADRM CNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000326874396 601255486 /nfs/dbraw/zinc/25/54/86/601255486.db2.gz AEBUJUUKJWGGOC-UHFFFAOYSA-N -1 0 371.415 -0.798 20 0 FBADRM Cc1ccc(C(=O)NCCNS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000326894044 600744696 /nfs/dbraw/zinc/74/46/96/600744696.db2.gz GOIUDTBDMKUAOI-UHFFFAOYSA-N -1 0 366.399 -0.016 20 0 FBADRM Cc1cc(C)c(S(=O)(=O)N(CC(N)=O)CC(N)=O)c(C)c1CC(=O)[O-] ZINC000326943521 483910344 /nfs/dbraw/zinc/91/03/44/483910344.db2.gz CPZQBCFMCPKPCK-UHFFFAOYSA-N -1 0 371.415 -0.800 20 0 FBADRM COc1ccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C(=O)[O-])c1 ZINC000326964569 483910656 /nfs/dbraw/zinc/91/06/56/483910656.db2.gz NWOJOMCHKRYWAC-UHFFFAOYSA-N -1 0 369.355 -0.408 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)cc1C(=O)[O-] ZINC000326971739 657541774 /nfs/dbraw/zinc/54/17/74/657541774.db2.gz QKMDMRXDVMCUAV-AWEZNQCLSA-N -1 0 369.355 -0.634 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC[C@]3(C2)NC(=O)NC3=O)cc1C(=O)[O-] ZINC000326971740 657541856 /nfs/dbraw/zinc/54/18/56/657541856.db2.gz QKMDMRXDVMCUAV-CQSZACIVSA-N -1 0 369.355 -0.634 20 0 FBADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)c1C ZINC000326978629 601247460 /nfs/dbraw/zinc/24/74/60/601247460.db2.gz TUUGAVNQDDSDBG-HNNXBMFYSA-N -1 0 367.383 -0.026 20 0 FBADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CC[C@]3(C2)NC(=O)NC3=O)c1C ZINC000326978630 601247516 /nfs/dbraw/zinc/24/75/16/601247516.db2.gz TUUGAVNQDDSDBG-OAHLLOKOSA-N -1 0 367.383 -0.026 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000326987814 600264946 /nfs/dbraw/zinc/26/49/46/600264946.db2.gz XHVXKISRECWHHB-AWEZNQCLSA-N -1 0 369.355 -0.877 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000326987815 600264983 /nfs/dbraw/zinc/26/49/83/600264983.db2.gz XHVXKISRECWHHB-CQSZACIVSA-N -1 0 369.355 -0.877 20 0 FBADRM Cn1cc([C@@H](NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C(=O)[O-])cn1 ZINC000326988868 483911094 /nfs/dbraw/zinc/91/10/94/483911094.db2.gz AGZFQOMRLZOZBI-GFCCVEGCSA-N -1 0 366.355 -0.031 20 0 FBADRM Cn1cc([C@H](NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C(=O)[O-])cn1 ZINC000326988869 483910831 /nfs/dbraw/zinc/91/08/31/483910831.db2.gz AGZFQOMRLZOZBI-LBPRGKRZSA-N -1 0 366.355 -0.031 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)C1 ZINC000326997183 483910579 /nfs/dbraw/zinc/91/05/79/483910579.db2.gz CNUTXPYZLBINQV-CMPLNLGQSA-N -1 0 374.419 -0.345 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)C1 ZINC000326997184 483910738 /nfs/dbraw/zinc/91/07/38/483910738.db2.gz CNUTXPYZLBINQV-JQWIXIFHSA-N -1 0 374.419 -0.345 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)C1 ZINC000326997185 483911186 /nfs/dbraw/zinc/91/11/86/483911186.db2.gz CNUTXPYZLBINQV-PWSUYJOCSA-N -1 0 374.419 -0.345 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)C1 ZINC000326997186 483911041 /nfs/dbraw/zinc/91/10/41/483911041.db2.gz CNUTXPYZLBINQV-ZYHUDNBSSA-N -1 0 374.419 -0.345 20 0 FBADRM Cc1[nH]nc(S(=O)(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)c1C(=O)[O-] ZINC000327001733 600229889 /nfs/dbraw/zinc/22/98/89/600229889.db2.gz AYDOLKHGHPPHRB-JTQLQIEISA-N -1 0 366.355 -0.142 20 0 FBADRM Cc1[nH]nc(S(=O)(=O)N2C[C@H](C(N)=O)Oc3ccccc32)c1C(=O)[O-] ZINC000327001734 600229974 /nfs/dbraw/zinc/22/99/74/600229974.db2.gz AYDOLKHGHPPHRB-SNVBAGLBSA-N -1 0 366.355 -0.142 20 0 FBADRM COC(=O)c1cccc(CS(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC000327015732 600220555 /nfs/dbraw/zinc/22/05/55/600220555.db2.gz CUPODAZBXJAETO-GFCCVEGCSA-N -1 0 370.383 -0.422 20 0 FBADRM COC(=O)c1cccc(CS(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC000327015733 600220634 /nfs/dbraw/zinc/22/06/34/600220634.db2.gz CUPODAZBXJAETO-LBPRGKRZSA-N -1 0 370.383 -0.422 20 0 FBADRM CN(C(=O)NCC1(C(=O)[O-])CCOCC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000327020126 485253166 /nfs/dbraw/zinc/25/31/66/485253166.db2.gz SJZDEGNLFDZGAX-LLVKDONJSA-N -1 0 363.436 -0.457 20 0 FBADRM CN(C(=O)NCC1(C(=O)[O-])CCOCC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000327020127 485253205 /nfs/dbraw/zinc/25/32/05/485253205.db2.gz SJZDEGNLFDZGAX-NSHDSACASA-N -1 0 363.436 -0.457 20 0 FBADRM Cn1cc([C@@H](NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C(=O)[O-])cn1 ZINC000327031324 483911119 /nfs/dbraw/zinc/91/11/19/483911119.db2.gz KYSOWTFVMKMPFE-CYBMUJFWSA-N -1 0 366.355 -0.145 20 0 FBADRM Cn1cc([C@H](NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C(=O)[O-])cn1 ZINC000327031325 483910572 /nfs/dbraw/zinc/91/05/72/483910572.db2.gz KYSOWTFVMKMPFE-ZDUSSCGKSA-N -1 0 366.355 -0.145 20 0 FBADRM O=C([O-])[C@]1(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CCOC1 ZINC000327032567 484116411 /nfs/dbraw/zinc/11/64/11/484116411.db2.gz GANHSCPKKIIJAL-AWEZNQCLSA-N -1 0 373.387 -0.991 20 0 FBADRM O=C([O-])[C@@]1(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CCOC1 ZINC000327032569 484116153 /nfs/dbraw/zinc/11/61/53/484116153.db2.gz GANHSCPKKIIJAL-CQSZACIVSA-N -1 0 373.387 -0.991 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)CC1 ZINC000327035637 483911111 /nfs/dbraw/zinc/91/11/11/483911111.db2.gz MABHNQLORJGFKS-GFCCVEGCSA-N -1 0 374.419 -0.345 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)CC1 ZINC000327035639 483910486 /nfs/dbraw/zinc/91/04/86/483910486.db2.gz MABHNQLORJGFKS-LBPRGKRZSA-N -1 0 374.419 -0.345 20 0 FBADRM CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000327065084 601213178 /nfs/dbraw/zinc/21/31/78/601213178.db2.gz BRZQJLZUYYTGRV-UHFFFAOYSA-N -1 0 373.406 -0.034 20 0 FBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000327067546 657553478 /nfs/dbraw/zinc/55/34/78/657553478.db2.gz CCQFVEZZDDFJRT-UHFFFAOYSA-N -1 0 371.346 -0.113 20 0 FBADRM CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CC1 ZINC000327069581 657553605 /nfs/dbraw/zinc/55/36/05/657553605.db2.gz CNQTWARTIHZVTP-UHFFFAOYSA-N -1 0 373.406 -0.034 20 0 FBADRM CNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)CC1 ZINC000327090038 601255475 /nfs/dbraw/zinc/25/54/75/601255475.db2.gz IJWQHGJRCCGTDP-UHFFFAOYSA-N -1 0 371.415 -0.554 20 0 FBADRM CNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)CC1 ZINC000327091710 601255541 /nfs/dbraw/zinc/25/55/41/601255541.db2.gz ISEYZBDZYPWJOB-UHFFFAOYSA-N -1 0 371.415 -0.554 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C1 ZINC000327100210 484127220 /nfs/dbraw/zinc/12/72/20/484127220.db2.gz ZZUGVKGQWDDTHL-LLVKDONJSA-N -1 0 371.415 -0.028 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cc1 ZINC000327115676 605557871 /nfs/dbraw/zinc/55/78/71/605557871.db2.gz CZGODRVTBGNNHH-UHFFFAOYSA-N -1 0 365.371 -0.419 20 0 FBADRM CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CC1 ZINC000327129382 659029329 /nfs/dbraw/zinc/02/93/29/659029329.db2.gz QFLSBPHSGYGZKW-UHFFFAOYSA-N -1 0 371.415 -0.467 20 0 FBADRM Cn1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c(=O)n(C)c1=O ZINC000327133286 483912073 /nfs/dbraw/zinc/91/20/73/483912073.db2.gz GYGNPQBDVCOXKL-JTQLQIEISA-N -1 0 365.367 -0.539 20 0 FBADRM Cn1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c(=O)n(C)c1=O ZINC000327133288 483912142 /nfs/dbraw/zinc/91/21/42/483912142.db2.gz GYGNPQBDVCOXKL-SNVBAGLBSA-N -1 0 365.367 -0.539 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)ccc1F ZINC000327137279 601213457 /nfs/dbraw/zinc/21/34/57/601213457.db2.gz RPUFSHASQPWPHC-UHFFFAOYSA-N -1 0 371.346 -0.113 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)cc1C(N)=O ZINC000327142675 483911634 /nfs/dbraw/zinc/91/16/34/483911634.db2.gz NVJHDQLRMZMQBY-GFCCVEGCSA-N -1 0 368.371 -0.368 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)cc1C(N)=O ZINC000327142676 483911542 /nfs/dbraw/zinc/91/15/42/483911542.db2.gz NVJHDQLRMZMQBY-LBPRGKRZSA-N -1 0 368.371 -0.368 20 0 FBADRM CNC(=O)CN1CCN(S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)CC1 ZINC000327150994 601255510 /nfs/dbraw/zinc/25/55/10/601255510.db2.gz UYQFAKOGWOQDTK-DAXSKMNVSA-N -1 0 367.427 -0.163 20 0 FBADRM CNC(=O)CN1CCN(S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)CC1 ZINC000327150995 601255465 /nfs/dbraw/zinc/25/54/65/601255465.db2.gz UYQFAKOGWOQDTK-QPJJXVBHSA-N -1 0 367.427 -0.163 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)ccc1O ZINC000327163772 657561344 /nfs/dbraw/zinc/56/13/44/657561344.db2.gz XKCRCXSSSJUXPP-UHFFFAOYSA-N -1 0 369.355 -0.547 20 0 FBADRM Cc1[nH]nc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1C(=O)[O-] ZINC000327176399 600338011 /nfs/dbraw/zinc/33/80/11/600338011.db2.gz ZSAZEGJMSPHZBL-JTQLQIEISA-N -1 0 372.403 -0.572 20 0 FBADRM Cc1[nH]nc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1C(=O)[O-] ZINC000327176400 600337968 /nfs/dbraw/zinc/33/79/68/600337968.db2.gz ZSAZEGJMSPHZBL-SNVBAGLBSA-N -1 0 372.403 -0.572 20 0 FBADRM O=C([O-])c1cn(C2CN(C(=O)Cn3cnc4sccc4c3=O)C2)nn1 ZINC000327186921 657562530 /nfs/dbraw/zinc/56/25/30/657562530.db2.gz XURUDTDTDAPQNR-UHFFFAOYSA-N -1 0 360.355 -0.169 20 0 FBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC000327198595 483913544 /nfs/dbraw/zinc/91/35/44/483913544.db2.gz HJTDGGXRYGNYTK-SECBINFHSA-N -1 0 372.355 -0.298 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC000327198597 483912745 /nfs/dbraw/zinc/91/27/45/483912745.db2.gz HJTDGGXRYGNYTK-VIFPVBQESA-N -1 0 372.355 -0.298 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000327207877 601254426 /nfs/dbraw/zinc/25/44/26/601254426.db2.gz FIWAOMHBFFTUAT-UHFFFAOYSA-N -1 0 373.391 -0.237 20 0 FBADRM CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])n(C)c1 ZINC000327227673 601606564 /nfs/dbraw/zinc/60/65/64/601606564.db2.gz JRSUVDNGHRGZCM-CYBMUJFWSA-N -1 0 373.431 -0.019 20 0 FBADRM CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])n(C)c1 ZINC000327227674 601606473 /nfs/dbraw/zinc/60/64/73/601606473.db2.gz JRSUVDNGHRGZCM-ZDUSSCGKSA-N -1 0 373.431 -0.019 20 0 FBADRM CN(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC000327254805 657570636 /nfs/dbraw/zinc/57/06/36/657570636.db2.gz AJIRJKQMDNMSET-UHFFFAOYSA-N -1 0 373.406 -0.082 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC000327259705 483912725 /nfs/dbraw/zinc/91/27/25/483912725.db2.gz DAESENDZXQNAAK-CMPLNLGQSA-N -1 0 374.419 -0.485 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC000327259707 483912709 /nfs/dbraw/zinc/91/27/09/483912709.db2.gz DAESENDZXQNAAK-JQWIXIFHSA-N -1 0 374.419 -0.485 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC000327259709 483912777 /nfs/dbraw/zinc/91/27/77/483912777.db2.gz DAESENDZXQNAAK-PWSUYJOCSA-N -1 0 374.419 -0.485 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC000327259711 483912693 /nfs/dbraw/zinc/91/26/93/483912693.db2.gz DAESENDZXQNAAK-ZYHUDNBSSA-N -1 0 374.419 -0.485 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000327292597 600181191 /nfs/dbraw/zinc/18/11/91/600181191.db2.gz KKYBAIDCUCQSDC-GFCCVEGCSA-N -1 0 369.399 -0.137 20 0 FBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000327292598 600181226 /nfs/dbraw/zinc/18/12/26/600181226.db2.gz KKYBAIDCUCQSDC-LBPRGKRZSA-N -1 0 369.399 -0.137 20 0 FBADRM CCC1CCC(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)(C(=O)[O-])CC1 ZINC000327297143 601260064 /nfs/dbraw/zinc/26/00/64/601260064.db2.gz PCIYVSOQGASXDC-UHFFFAOYSA-N -1 0 373.431 -0.214 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](Cc2ccc(O)cc2)C(=O)[O-])cc1C(N)=O ZINC000327298293 483913524 /nfs/dbraw/zinc/91/35/24/483913524.db2.gz MBDINYCYECDMMN-GFCCVEGCSA-N -1 0 367.383 -0.196 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1C(N)=O ZINC000327298299 483912791 /nfs/dbraw/zinc/91/27/91/483912791.db2.gz MBDINYCYECDMMN-LBPRGKRZSA-N -1 0 367.383 -0.196 20 0 FBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000327323508 483914655 /nfs/dbraw/zinc/91/46/55/483914655.db2.gz VSCDZYHAPWYZJN-LLVKDONJSA-N -1 0 366.355 -0.285 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000327323509 483914541 /nfs/dbraw/zinc/91/45/41/483914541.db2.gz VSCDZYHAPWYZJN-NSHDSACASA-N -1 0 366.355 -0.285 20 0 FBADRM COC(=O)CN1CCN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000327337899 845952322 /nfs/dbraw/zinc/95/23/22/845952322.db2.gz AQZCPHWFNPAARX-UHFFFAOYSA-N -1 0 372.399 -0.371 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)cn1 ZINC000327345752 600693778 /nfs/dbraw/zinc/69/37/78/600693778.db2.gz CKRRSTYTIOCBMT-UHFFFAOYSA-N -1 0 365.415 -0.131 20 0 FBADRM C[C@H]1C(=O)Nc2ccc(S(=O)(=O)NCc3cn(CC(=O)[O-])nn3)cc21 ZINC000327357163 483914466 /nfs/dbraw/zinc/91/44/66/483914466.db2.gz HHEWISXQBFJDSJ-MRVPVSSYSA-N -1 0 365.371 -0.103 20 0 FBADRM C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)NCc3cn(CC(=O)[O-])nn3)cc21 ZINC000327357164 483914334 /nfs/dbraw/zinc/91/43/34/483914334.db2.gz HHEWISXQBFJDSJ-QMMMGPOBSA-N -1 0 365.371 -0.103 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c(F)c1 ZINC000327365245 657238427 /nfs/dbraw/zinc/23/84/27/657238427.db2.gz JRHUWUUNBHQGRY-UHFFFAOYSA-N -1 0 371.350 -0.061 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCCN(C[C@H]3CCCO3)CC2)cn1 ZINC000327366079 657586902 /nfs/dbraw/zinc/58/69/02/657586902.db2.gz JVDGTETTZCSPNS-CYBMUJFWSA-N -1 0 372.447 -0.157 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCCN(C[C@@H]3CCCO3)CC2)cn1 ZINC000327366080 657587193 /nfs/dbraw/zinc/58/71/93/657587193.db2.gz JVDGTETTZCSPNS-ZDUSSCGKSA-N -1 0 372.447 -0.157 20 0 FBADRM O=C([O-])Cn1cc(CNS(=O)(=O)c2ccc3oc(=O)ccc3c2)nn1 ZINC000327367912 657587832 /nfs/dbraw/zinc/58/78/32/657587832.db2.gz KQCBFNVWRIWUNL-UHFFFAOYSA-N -1 0 364.339 -0.052 20 0 FBADRM COC(=O)c1cccc(CS(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000327418885 483914039 /nfs/dbraw/zinc/91/40/39/483914039.db2.gz YJZSJTXXZNIZDR-UHFFFAOYSA-N -1 0 368.371 -0.231 20 0 FBADRM COCCOc1ccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cc1 ZINC000327422555 483914489 /nfs/dbraw/zinc/91/44/89/483914489.db2.gz ZLMWUZNSUCIFIY-UHFFFAOYSA-N -1 0 370.387 -0.134 20 0 FBADRM COc1cc(F)c(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cc1OC ZINC000327450430 483914564 /nfs/dbraw/zinc/91/45/64/483914564.db2.gz IQEUTKSFFCOXFS-UHFFFAOYSA-N -1 0 374.350 -0.003 20 0 FBADRM O=C([O-])CCOc1ccc(S(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000327462401 601401636 /nfs/dbraw/zinc/40/16/36/601401636.db2.gz RIBKTYRHJAEFMB-LLVKDONJSA-N -1 0 369.399 -0.062 20 0 FBADRM O=C([O-])CCOc1ccc(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000327462403 601401569 /nfs/dbraw/zinc/40/15/69/601401569.db2.gz RIBKTYRHJAEFMB-NSHDSACASA-N -1 0 369.399 -0.062 20 0 FBADRM C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C[C@H]1C(=O)[O-] ZINC000327473343 483914359 /nfs/dbraw/zinc/91/43/59/483914359.db2.gz KEZMLTSWLNQXQI-ZYHUDNBSSA-N -1 0 371.415 -0.172 20 0 FBADRM CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC000327477592 484160782 /nfs/dbraw/zinc/16/07/82/484160782.db2.gz ZKFNCXQJGCTGBA-UHFFFAOYSA-N -1 0 373.406 -0.034 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c(=O)n(C)c1=O ZINC000327489964 483892038 /nfs/dbraw/zinc/89/20/38/483892038.db2.gz NBIXPBBPMUNJQX-LLVKDONJSA-N -1 0 367.383 -0.769 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@H](C(=O)[O-])c2ccccc2)c(=O)n(C)c1=O ZINC000327489966 483891794 /nfs/dbraw/zinc/89/17/94/483891794.db2.gz NBIXPBBPMUNJQX-NSHDSACASA-N -1 0 367.383 -0.769 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C1 ZINC000327518158 484164768 /nfs/dbraw/zinc/16/47/68/484164768.db2.gz UZFOYULYSKUYCZ-HNNXBMFYSA-N -1 0 371.415 -0.028 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C1 ZINC000327518160 484163818 /nfs/dbraw/zinc/16/38/18/484163818.db2.gz UZFOYULYSKUYCZ-OAHLLOKOSA-N -1 0 371.415 -0.028 20 0 FBADRM COCCOc1ccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cc1 ZINC000327518508 483892267 /nfs/dbraw/zinc/89/22/67/483892267.db2.gz DBWHWXOREQSABE-UHFFFAOYSA-N -1 0 370.387 -0.020 20 0 FBADRM Cn1c(=O)oc2cc(S(=O)(=O)NCCn3cc(C(=O)[O-])nn3)ccc21 ZINC000327521750 483892173 /nfs/dbraw/zinc/89/21/73/483892173.db2.gz DSYIUPSIDXJLBA-UHFFFAOYSA-N -1 0 367.343 -0.600 20 0 FBADRM CN(C)C(=O)CN1CCN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])CC1 ZINC000327547986 601914187 /nfs/dbraw/zinc/91/41/87/601914187.db2.gz SYJXMQMGJQLADC-UHFFFAOYSA-N -1 0 373.406 -0.082 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C1 ZINC000327567283 484169721 /nfs/dbraw/zinc/16/97/21/484169721.db2.gz ZZUGVKGQWDDTHL-NSHDSACASA-N -1 0 371.415 -0.028 20 0 FBADRM C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])CC1 ZINC000327598094 600149561 /nfs/dbraw/zinc/14/95/61/600149561.db2.gz HQPNNCSKRNGLFY-UHFFFAOYSA-N -1 0 373.406 -0.082 20 0 FBADRM O=C([O-])c1cn(CCNS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)nn1 ZINC000327608609 483892783 /nfs/dbraw/zinc/89/27/83/483892783.db2.gz SABDIQHRZBMHIH-UHFFFAOYSA-N -1 0 367.343 -0.714 20 0 FBADRM O=C([O-])[C@H]1Cc2[nH]cnc2CN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000327617305 484175037 /nfs/dbraw/zinc/17/50/37/484175037.db2.gz WTTIIGFNFOIFQO-GFCCVEGCSA-N -1 0 363.355 -0.221 20 0 FBADRM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000327617309 484174943 /nfs/dbraw/zinc/17/49/43/484174943.db2.gz WTTIIGFNFOIFQO-LBPRGKRZSA-N -1 0 363.355 -0.221 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000327650281 601762195 /nfs/dbraw/zinc/76/21/95/601762195.db2.gz ZXBFQVNFCKCQKA-GFCCVEGCSA-N -1 0 371.415 -0.238 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000327650282 601761949 /nfs/dbraw/zinc/76/19/49/601761949.db2.gz ZXBFQVNFCKCQKA-LBPRGKRZSA-N -1 0 371.415 -0.238 20 0 FBADRM CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000327942154 485145730 /nfs/dbraw/zinc/14/57/30/485145730.db2.gz QZQHSLDISFKPLO-UHFFFAOYSA-N -1 0 373.406 -0.034 20 0 FBADRM CN(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000327959843 658531268 /nfs/dbraw/zinc/53/12/68/658531268.db2.gz VDIWONZODCFQGT-UHFFFAOYSA-N -1 0 373.406 -0.082 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)NCCC(=O)N2CCOCC2)cc1 ZINC000328041957 658552468 /nfs/dbraw/zinc/55/24/68/658552468.db2.gz FPYXGXJPZCAGGT-UHFFFAOYSA-N -1 0 372.399 -0.323 20 0 FBADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)NCCC(=O)N1CCOCC1 ZINC000328142643 658562156 /nfs/dbraw/zinc/56/21/56/658562156.db2.gz MAPXEVVJXLYSSL-UHFFFAOYSA-N -1 0 372.399 -0.074 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCC(=O)N1CCOCC1 ZINC000328155172 601212440 /nfs/dbraw/zinc/21/24/40/601212440.db2.gz PANISGFDDXPOTQ-UHFFFAOYSA-N -1 0 372.399 -0.079 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCOCC1 ZINC000328249034 484495501 /nfs/dbraw/zinc/49/55/01/484495501.db2.gz BDHSCNIQGIEXLI-JTQLQIEISA-N -1 0 372.399 -0.081 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)C(=O)N1CCOCC1 ZINC000328249041 484495416 /nfs/dbraw/zinc/49/54/16/484495416.db2.gz BDHSCNIQGIEXLI-SNVBAGLBSA-N -1 0 372.399 -0.081 20 0 FBADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCOCC1 ZINC000328262209 484496192 /nfs/dbraw/zinc/49/61/92/484496192.db2.gz DHAFBQYQNYAKJB-JTQLQIEISA-N -1 0 372.399 -0.076 20 0 FBADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)C(=O)N1CCOCC1 ZINC000328262214 484496766 /nfs/dbraw/zinc/49/67/66/484496766.db2.gz DHAFBQYQNYAKJB-SNVBAGLBSA-N -1 0 372.399 -0.076 20 0 FBADRM CCOc1ccc(S(=O)(=O)NCC(=O)N2CCOCC2)cc1C(=O)[O-] ZINC000328283525 845976499 /nfs/dbraw/zinc/97/64/99/845976499.db2.gz HPAVFRVSIMYTEB-UHFFFAOYSA-N -1 0 372.399 -0.079 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1C(N)=O ZINC000328358805 483923227 /nfs/dbraw/zinc/92/32/27/483923227.db2.gz XIOZFCXWHTUCBO-NSHDSACASA-N -1 0 368.371 -0.509 20 0 FBADRM C[C@H]1OCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)[C@@H]1C(=O)[O-] ZINC000328363745 483922906 /nfs/dbraw/zinc/92/29/06/483922906.db2.gz PGOXFYPQKSCLET-OQPBUACISA-N -1 0 356.356 -0.120 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1 ZINC000328402499 483894938 /nfs/dbraw/zinc/89/49/38/483894938.db2.gz WETCPHCJSCAEKM-PWSUYJOCSA-N -1 0 364.420 -0.320 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1C(=O)[O-] ZINC000328409543 484513249 /nfs/dbraw/zinc/51/32/49/484513249.db2.gz QINJHMQNERFLFF-JTQLQIEISA-N -1 0 372.399 -0.081 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCOCC2)cc1C(=O)[O-] ZINC000328409544 484513780 /nfs/dbraw/zinc/51/37/80/484513780.db2.gz QINJHMQNERFLFF-SNVBAGLBSA-N -1 0 372.399 -0.081 20 0 FBADRM C[C@H]1OCCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)[C@@H]1C(=O)[O-] ZINC000328415828 484513766 /nfs/dbraw/zinc/51/37/66/484513766.db2.gz YFTGXCJZIOCXFS-KCJUWKMLSA-N -1 0 364.401 -0.803 20 0 FBADRM Cc1nc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])c(Br)n1C ZINC000328430794 484513693 /nfs/dbraw/zinc/51/36/93/484513693.db2.gz MLJRBBKPYAHOSS-BQBZGAKWSA-N -1 0 368.209 -0.300 20 0 FBADRM O=C([O-])CCOc1ccc(S(=O)(=O)NCC(=O)N2CCOCC2)cc1 ZINC000328434800 605145119 /nfs/dbraw/zinc/14/51/19/605145119.db2.gz VUAPRZSKJTYQIT-UHFFFAOYSA-N -1 0 372.399 -0.323 20 0 FBADRM COC[C@@](C)(NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000328472981 483894511 /nfs/dbraw/zinc/89/45/11/483894511.db2.gz HNNVKIFMKQNBJK-LLVKDONJSA-N -1 0 352.390 -0.898 20 0 FBADRM COC[C@](C)(NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000328472982 483894690 /nfs/dbraw/zinc/89/46/90/483894690.db2.gz HNNVKIFMKQNBJK-NSHDSACASA-N -1 0 352.390 -0.898 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@](C)(COC)C(=O)[O-])cc1 ZINC000328479692 483926505 /nfs/dbraw/zinc/92/65/05/483926505.db2.gz JZSRPUWHNQXJAP-GFCCVEGCSA-N -1 0 366.417 -0.637 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@](C)(COC)C(=O)[O-])cc1 ZINC000328479693 483926025 /nfs/dbraw/zinc/92/60/25/483926025.db2.gz JZSRPUWHNQXJAP-LBPRGKRZSA-N -1 0 366.417 -0.637 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@](C)(COC)C(=O)[O-])C1 ZINC000328498489 601804618 /nfs/dbraw/zinc/80/46/18/601804618.db2.gz RWGJLUDTCXBFEH-GWCFXTLKSA-N -1 0 352.409 -0.414 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@](C)(COC)C(=O)[O-])C1 ZINC000328498490 601804681 /nfs/dbraw/zinc/80/46/81/601804681.db2.gz RWGJLUDTCXBFEH-GXFFZTMASA-N -1 0 352.409 -0.414 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@](C)(COC)C(=O)[O-])C1 ZINC000328498492 601804599 /nfs/dbraw/zinc/80/45/99/601804599.db2.gz RWGJLUDTCXBFEH-MFKMUULPSA-N -1 0 352.409 -0.414 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@](C)(COC)C(=O)[O-])C1 ZINC000328498493 601804648 /nfs/dbraw/zinc/80/46/48/601804648.db2.gz RWGJLUDTCXBFEH-ZWNOBZJWSA-N -1 0 352.409 -0.414 20 0 FBADRM COC[C@@](C)(NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000328556990 483931098 /nfs/dbraw/zinc/93/10/98/483931098.db2.gz AZLRKHVLIBYVTF-GFCCVEGCSA-N -1 0 351.402 -0.142 20 0 FBADRM COC[C@](C)(NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000328556991 483931562 /nfs/dbraw/zinc/93/15/62/483931562.db2.gz AZLRKHVLIBYVTF-LBPRGKRZSA-N -1 0 351.402 -0.142 20 0 FBADRM CCC[C@@H](C)C(=O)N1CCO[C@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000328602126 528852419 /nfs/dbraw/zinc/85/24/19/528852419.db2.gz AIPQBMORYWJQNP-NEPJUHHUSA-N -1 0 350.437 -0.004 20 0 FBADRM CCC[C@H](C)C(=O)N1CCO[C@@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000328602127 484835446 /nfs/dbraw/zinc/83/54/46/484835446.db2.gz AIPQBMORYWJQNP-NWDGAFQWSA-N -1 0 350.437 -0.004 20 0 FBADRM CCC[C@H](C)C(=O)N1CCO[C@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000328602128 484835638 /nfs/dbraw/zinc/83/56/38/484835638.db2.gz AIPQBMORYWJQNP-RYUDHWBXSA-N -1 0 350.437 -0.004 20 0 FBADRM CCC[C@@H](C)C(=O)N1CCO[C@@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000328602129 484834875 /nfs/dbraw/zinc/83/48/75/484834875.db2.gz AIPQBMORYWJQNP-VXGBXAGGSA-N -1 0 350.437 -0.004 20 0 FBADRM CS(=O)(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C2CC2)CCO1 ZINC000328603569 484835516 /nfs/dbraw/zinc/83/55/16/484835516.db2.gz GOYMLYCOVIHNRK-AVGNSLFASA-N -1 0 360.432 -0.394 20 0 FBADRM CS(=O)(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)CCO1 ZINC000328603570 484835253 /nfs/dbraw/zinc/83/52/53/484835253.db2.gz GOYMLYCOVIHNRK-RWMBFGLXSA-N -1 0 360.432 -0.394 20 0 FBADRM CS(=O)(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C2CC2)CCO1 ZINC000328603571 484835564 /nfs/dbraw/zinc/83/55/64/484835564.db2.gz GOYMLYCOVIHNRK-XQQFMLRXSA-N -1 0 360.432 -0.394 20 0 FBADRM CS(=O)(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C2CC2)CCO1 ZINC000328603572 484835138 /nfs/dbraw/zinc/83/51/38/484835138.db2.gz GOYMLYCOVIHNRK-YNEHKIRRSA-N -1 0 360.432 -0.394 20 0 FBADRM CCn1cc(C(=O)N2CCO[C@@H](CN(CC(=O)[O-])S(C)(=O)=O)C2)cn1 ZINC000328605666 210109409 /nfs/dbraw/zinc/10/94/09/210109409.db2.gz OQANAJSJHVADAJ-GFCCVEGCSA-N -1 0 374.419 -0.910 20 0 FBADRM CCn1cc(C(=O)N2CCO[C@H](CN(CC(=O)[O-])S(C)(=O)=O)C2)cn1 ZINC000328605667 484835164 /nfs/dbraw/zinc/83/51/64/484835164.db2.gz OQANAJSJHVADAJ-LBPRGKRZSA-N -1 0 374.419 -0.910 20 0 FBADRM CSC[C@@H](C)C(=O)N1CCO[C@@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000328608554 484836280 /nfs/dbraw/zinc/83/62/80/484836280.db2.gz ZOLWLIXZRAPPOB-GHMZBOCLSA-N -1 0 368.477 -0.441 20 0 FBADRM CSC[C@@H](C)C(=O)N1CCO[C@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000328608555 484836839 /nfs/dbraw/zinc/83/68/39/484836839.db2.gz ZOLWLIXZRAPPOB-MNOVXSKESA-N -1 0 368.477 -0.441 20 0 FBADRM CSC[C@H](C)C(=O)N1CCO[C@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000328608556 484836375 /nfs/dbraw/zinc/83/63/75/484836375.db2.gz ZOLWLIXZRAPPOB-QWRGUYRKSA-N -1 0 368.477 -0.441 20 0 FBADRM CSC[C@H](C)C(=O)N1CCO[C@@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000328608557 484836890 /nfs/dbraw/zinc/83/68/90/484836890.db2.gz ZOLWLIXZRAPPOB-WDEREUQCSA-N -1 0 368.477 -0.441 20 0 FBADRM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN(C(=O)CN2CSCC2=O)CC1 ZINC000328626076 484836113 /nfs/dbraw/zinc/83/61/13/484836113.db2.gz DUQAVCQQJFLUKT-GFCCVEGCSA-N -1 0 357.432 -0.167 20 0 FBADRM CC(=O)N(CC(=O)[O-])[C@H]1CCCN(C(=O)CN2CSCC2=O)CC1 ZINC000328626078 484836744 /nfs/dbraw/zinc/83/67/44/484836744.db2.gz DUQAVCQQJFLUKT-LBPRGKRZSA-N -1 0 357.432 -0.167 20 0 FBADRM CN1CCO[C@H](C(=O)N2CCc3nc([N-]S(C)(=O)=O)sc3C2)C1 ZINC000328780384 483902603 /nfs/dbraw/zinc/90/26/03/483902603.db2.gz MNOCVYFBWZGCIN-JTQLQIEISA-N -1 0 360.461 -0.270 20 0 FBADRM CN1CCO[C@@H](C(=O)N2CCc3nc([N-]S(C)(=O)=O)sc3C2)C1 ZINC000328780387 483902396 /nfs/dbraw/zinc/90/23/96/483902396.db2.gz MNOCVYFBWZGCIN-SNVBAGLBSA-N -1 0 360.461 -0.270 20 0 FBADRM CN1CCN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1c1nc(C2CC2)no1 ZINC000328937091 483906784 /nfs/dbraw/zinc/90/67/84/483906784.db2.gz JQZGRJFUPBLDDD-LLVKDONJSA-N -1 0 360.374 -0.125 20 0 FBADRM CN1CCN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1c1nc(C2CC2)no1 ZINC000328937147 483906327 /nfs/dbraw/zinc/90/63/27/483906327.db2.gz JQZGRJFUPBLDDD-NSHDSACASA-N -1 0 360.374 -0.125 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)[C@H](C)CN1C ZINC000329004512 484204092 /nfs/dbraw/zinc/20/40/92/484204092.db2.gz METVXWYEJGGVNN-NXEZZACHSA-N -1 0 367.431 -0.253 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)[C@@H](C)CN1C ZINC000329004516 484203078 /nfs/dbraw/zinc/20/30/78/484203078.db2.gz METVXWYEJGGVNN-UWVGGRQHSA-N -1 0 367.431 -0.253 20 0 FBADRM C[C@@H]1CN(C)[C@@H](C)CN1S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000329004517 484203293 /nfs/dbraw/zinc/20/32/93/484203293.db2.gz METVXWYEJGGVNN-VHSXEESVSA-N -1 0 367.431 -0.253 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)[C@@H](C)CN1C ZINC000329004518 484203650 /nfs/dbraw/zinc/20/36/50/484203650.db2.gz METVXWYEJGGVNN-ZJUUUORDSA-N -1 0 367.431 -0.253 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000329151297 484217724 /nfs/dbraw/zinc/21/77/24/484217724.db2.gz AAUSMZNXJMVUDW-AWEZNQCLSA-N -1 0 355.420 -0.422 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000329151299 484217566 /nfs/dbraw/zinc/21/75/66/484217566.db2.gz AAUSMZNXJMVUDW-CQSZACIVSA-N -1 0 355.420 -0.422 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000329237109 484224877 /nfs/dbraw/zinc/22/48/77/484224877.db2.gz JZNSNBQUFZNMBB-JTQLQIEISA-N -1 0 355.420 -0.300 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000329237110 484224554 /nfs/dbraw/zinc/22/45/54/484224554.db2.gz JZNSNBQUFZNMBB-SNVBAGLBSA-N -1 0 355.420 -0.300 20 0 FBADRM CN(CC(=O)N1CCOCC1)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000329382043 484239581 /nfs/dbraw/zinc/23/95/81/484239581.db2.gz QNOAFLIOIRSWNO-UHFFFAOYSA-N -1 0 352.416 -0.201 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C1 ZINC000329652692 484275565 /nfs/dbraw/zinc/27/55/65/484275565.db2.gz LEPWAUVIKKGCAK-JTQLQIEISA-N -1 0 358.445 -0.368 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C1 ZINC000329652693 484276158 /nfs/dbraw/zinc/27/61/58/484276158.db2.gz LEPWAUVIKKGCAK-SNVBAGLBSA-N -1 0 358.445 -0.368 20 0 FBADRM Cn1ncnc1[N-]S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000330000137 484303961 /nfs/dbraw/zinc/30/39/61/484303961.db2.gz VZJLWSYMOITHOH-UHFFFAOYSA-N -1 0 357.417 -0.422 20 0 FBADRM CCc1nc(CN2CCN(C(=O)CSc3n[nH]c(=O)[n-]3)CC2)no1 ZINC000330128667 484312077 /nfs/dbraw/zinc/31/20/77/484312077.db2.gz NULAKPSBUUWEAM-UHFFFAOYSA-N -1 0 353.408 -0.108 20 0 FBADRM Cc1nc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc(C2CC2)n1 ZINC000330131725 484312698 /nfs/dbraw/zinc/31/26/98/484312698.db2.gz LBHKFJPIWDULBA-UHFFFAOYSA-N -1 0 351.388 -0.139 20 0 FBADRM CN1C[C@H](NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CCC1=O ZINC000330442509 483917814 /nfs/dbraw/zinc/91/78/14/483917814.db2.gz FKKKHNLPLZGHDE-SECBINFHSA-N -1 0 361.370 -0.020 20 0 FBADRM CN1C[C@@H](NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CCC1=O ZINC000330443210 483917858 /nfs/dbraw/zinc/91/78/58/483917858.db2.gz FKKKHNLPLZGHDE-VIFPVBQESA-N -1 0 361.370 -0.020 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCS(=O)CC1 ZINC000330448528 483917623 /nfs/dbraw/zinc/91/76/23/483917623.db2.gz IKJRXLCMUFPTCI-UHFFFAOYSA-N -1 0 352.384 -0.166 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCS(=O)(=O)CC1 ZINC000330457155 483915883 /nfs/dbraw/zinc/91/58/83/483915883.db2.gz OEIVCCYFVCMXAC-UHFFFAOYSA-N -1 0 368.383 -0.500 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@@H]1CCS(=O)(=O)C1 ZINC000330459510 483915862 /nfs/dbraw/zinc/91/58/62/483915862.db2.gz QCWDONSDEXQOSU-MRVPVSSYSA-N -1 0 368.383 -0.454 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@H]1CCS(=O)(=O)C1 ZINC000330459511 483915454 /nfs/dbraw/zinc/91/54/54/483915454.db2.gz QCWDONSDEXQOSU-QMMMGPOBSA-N -1 0 368.383 -0.454 20 0 FBADRM CC1(C)C(=O)NCCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000330462821 483916391 /nfs/dbraw/zinc/91/63/91/483916391.db2.gz TYECLDIZMQLUGF-UHFFFAOYSA-N -1 0 361.370 -0.020 20 0 FBADRM O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCO[C@@H](CO)C1 ZINC000330481779 483916671 /nfs/dbraw/zinc/91/66/71/483916671.db2.gz QIFNPYLEWDKCPY-MRVPVSSYSA-N -1 0 354.837 -0.101 20 0 FBADRM O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCO[C@H](CO)C1 ZINC000330481780 483916637 /nfs/dbraw/zinc/91/66/37/483916637.db2.gz QIFNPYLEWDKCPY-QMMMGPOBSA-N -1 0 354.837 -0.101 20 0 FBADRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCN(C(=O)CO)CC2)c1 ZINC000330498956 483921035 /nfs/dbraw/zinc/92/10/35/483921035.db2.gz FJIRDHYDXLAACN-UHFFFAOYSA-N -1 0 355.416 -0.357 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCN(C(=O)CO)CC1 ZINC000330500006 483921257 /nfs/dbraw/zinc/92/12/57/483921257.db2.gz MGOQHSOLEMRFTN-UHFFFAOYSA-N -1 0 359.379 -0.526 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)[nH]n2)c(=O)n(C)c1=O ZINC000330682098 483938405 /nfs/dbraw/zinc/93/84/05/483938405.db2.gz PRUDZVSGHGWMEM-UHFFFAOYSA-N -1 0 353.282 -0.373 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2nnc(C(F)F)s2)c(=O)n(C)c1=O ZINC000330683469 483938925 /nfs/dbraw/zinc/93/89/25/483938925.db2.gz RKTJWJWYSAKMBM-UHFFFAOYSA-N -1 0 353.332 -0.326 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CN2CCN(C)C(=O)C2)ccc1[O-] ZINC000330750770 483943478 /nfs/dbraw/zinc/94/34/78/483943478.db2.gz BJNFRADANOQXQL-UHFFFAOYSA-N -1 0 356.404 -0.987 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(C(=O)CO)CC1 ZINC000330754736 483943511 /nfs/dbraw/zinc/94/35/11/483943511.db2.gz YKKUEDCSJAPFHC-UHFFFAOYSA-N -1 0 355.416 -0.275 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000330820547 483949651 /nfs/dbraw/zinc/94/96/51/483949651.db2.gz QFOPXEKIZYYCQM-JTQLQIEISA-N -1 0 361.445 -0.178 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000330820562 483950288 /nfs/dbraw/zinc/95/02/88/483950288.db2.gz QFOPXEKIZYYCQM-SNVBAGLBSA-N -1 0 361.445 -0.178 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)CCO1 ZINC000330827069 483950301 /nfs/dbraw/zinc/95/03/01/483950301.db2.gz QVCZKQZCFIGCFV-GFCCVEGCSA-N -1 0 359.379 -0.216 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)CCO1 ZINC000330827070 483949203 /nfs/dbraw/zinc/94/92/03/483949203.db2.gz QVCZKQZCFIGCFV-LBPRGKRZSA-N -1 0 359.379 -0.216 20 0 FBADRM CCCc1nc(=NC(=O)N2CCC(NS(=O)(=O)NC)CC2)s[n-]1 ZINC000330834959 483951343 /nfs/dbraw/zinc/95/13/43/483951343.db2.gz HXTLXBTXGHYTIJ-UHFFFAOYSA-N -1 0 362.481 -0.037 20 0 FBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000330864819 483953505 /nfs/dbraw/zinc/95/35/05/483953505.db2.gz UQHYXHNFDCVYGE-OLZOCXBDSA-N -1 0 362.448 -0.379 20 0 FBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000330864822 483953172 /nfs/dbraw/zinc/95/31/72/483953172.db2.gz UQHYXHNFDCVYGE-STQMWFEESA-N -1 0 362.448 -0.379 20 0 FBADRM CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1nc(C)c(Br)s1 ZINC000331084656 483971385 /nfs/dbraw/zinc/97/13/85/483971385.db2.gz CECOOXGQFUPPHD-RXMQYKEDSA-N -1 0 358.239 -0.401 20 0 FBADRM CNC(=O)[C@H](CO)[N-]S(=O)(=O)c1nc(C)c(Br)s1 ZINC000331084657 483971213 /nfs/dbraw/zinc/97/12/13/483971213.db2.gz CECOOXGQFUPPHD-YFKPBYRVSA-N -1 0 358.239 -0.401 20 0 FBADRM CCOC(=O)C1(COC)CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000331086242 483971347 /nfs/dbraw/zinc/97/13/47/483971347.db2.gz RAHPOXHZDHSRJZ-UHFFFAOYSA-N -1 0 353.375 -0.082 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)cn1 ZINC000331197756 483981067 /nfs/dbraw/zinc/98/10/67/483981067.db2.gz ODNYZGDCLUEGCR-GFCCVEGCSA-N -1 0 359.452 -0.126 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)cn1 ZINC000331197757 483980605 /nfs/dbraw/zinc/98/06/05/483980605.db2.gz ODNYZGDCLUEGCR-LBPRGKRZSA-N -1 0 359.452 -0.126 20 0 FBADRM COC[C@@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)[C@H]1CCCO1 ZINC000331201679 483980865 /nfs/dbraw/zinc/98/08/65/483980865.db2.gz AZVACUKXUBKVLG-CHWSQXEVSA-N -1 0 350.437 -0.100 20 0 FBADRM COC[C@@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)[C@@H]1CCCO1 ZINC000331201681 483980849 /nfs/dbraw/zinc/98/08/49/483980849.db2.gz AZVACUKXUBKVLG-OLZOCXBDSA-N -1 0 350.437 -0.100 20 0 FBADRM COC[C@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)[C@H]1CCCO1 ZINC000331201683 483979835 /nfs/dbraw/zinc/97/98/35/483979835.db2.gz AZVACUKXUBKVLG-QWHCGFSZSA-N -1 0 350.437 -0.100 20 0 FBADRM COC[C@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)[C@@H]1CCCO1 ZINC000331201685 483980959 /nfs/dbraw/zinc/98/09/59/483980959.db2.gz AZVACUKXUBKVLG-STQMWFEESA-N -1 0 350.437 -0.100 20 0 FBADRM Cc1occc1C(=O)N1CCO[C@@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000331235645 483986379 /nfs/dbraw/zinc/98/63/79/483986379.db2.gz SWPQZLOZTUMLOG-LLVKDONJSA-N -1 0 360.388 -0.225 20 0 FBADRM Cc1occc1C(=O)N1CCO[C@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000331235647 483986180 /nfs/dbraw/zinc/98/61/80/483986180.db2.gz SWPQZLOZTUMLOG-NSHDSACASA-N -1 0 360.388 -0.225 20 0 FBADRM Cc1nc(=NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)s[n-]1 ZINC000331437392 484329785 /nfs/dbraw/zinc/32/97/85/484329785.db2.gz NAZPOHDOEBUJCA-UHFFFAOYSA-N -1 0 357.417 -0.130 20 0 FBADRM C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000331438507 484329360 /nfs/dbraw/zinc/32/93/60/484329360.db2.gz HCLVLKCKZPWGEI-GMTAPVOTSA-N -1 0 358.420 -0.354 20 0 FBADRM C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000331438509 484328777 /nfs/dbraw/zinc/32/87/77/484328777.db2.gz HCLVLKCKZPWGEI-MXWKQRLJSA-N -1 0 358.420 -0.354 20 0 FBADRM C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000331438510 484328996 /nfs/dbraw/zinc/32/89/96/484328996.db2.gz HCLVLKCKZPWGEI-OUAUKWLOSA-N -1 0 358.420 -0.354 20 0 FBADRM C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000331438511 484329678 /nfs/dbraw/zinc/32/96/78/484329678.db2.gz HCLVLKCKZPWGEI-VWYCJHECSA-N -1 0 358.420 -0.354 20 0 FBADRM CC(C)(C)c1nc(=NC(=O)C(=O)N2CCCS(=O)(=O)CC2)s[n-]1 ZINC000331515558 484336036 /nfs/dbraw/zinc/33/60/36/484336036.db2.gz IVQDZCFPSRSZNR-UHFFFAOYSA-N -1 0 360.461 -0.157 20 0 FBADRM CCN(C(=O)CN1CCC[C@@H](c2n[n-]c(=O)o2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000331529974 484335298 /nfs/dbraw/zinc/33/52/98/484335298.db2.gz VWJBZOVKACMWPN-NEPJUHHUSA-N -1 0 372.447 -0.010 20 0 FBADRM CCN(C(=O)CN1CCC[C@H](c2n[n-]c(=O)o2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000331529980 484336477 /nfs/dbraw/zinc/33/64/77/484336477.db2.gz VWJBZOVKACMWPN-NWDGAFQWSA-N -1 0 372.447 -0.010 20 0 FBADRM CCN(C(=O)CN1CCC[C@H](c2n[n-]c(=O)o2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000331529986 484336417 /nfs/dbraw/zinc/33/64/17/484336417.db2.gz VWJBZOVKACMWPN-RYUDHWBXSA-N -1 0 372.447 -0.010 20 0 FBADRM CCN(C(=O)CN1CCC[C@@H](c2n[n-]c(=O)o2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000331529995 484335822 /nfs/dbraw/zinc/33/58/22/484335822.db2.gz VWJBZOVKACMWPN-VXGBXAGGSA-N -1 0 372.447 -0.010 20 0 FBADRM CC(C)(C)c1nc(=NC(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)s[n-]1 ZINC000331535963 484337751 /nfs/dbraw/zinc/33/77/51/484337751.db2.gz LAJHVUBOJYSYCH-RKDXNWHRSA-N -1 0 351.432 -0.067 20 0 FBADRM Cn1cc([C@H]2CSCCN2C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC000331673516 484350087 /nfs/dbraw/zinc/35/00/87/484350087.db2.gz UWSDMAOIGTVXCU-CMPLNLGQSA-N -1 0 352.416 -0.030 20 0 FBADRM Cn1cc([C@@H]2CSCCN2C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC000331673518 484350115 /nfs/dbraw/zinc/35/01/15/484350115.db2.gz UWSDMAOIGTVXCU-JQWIXIFHSA-N -1 0 352.416 -0.030 20 0 FBADRM Cn1cc([C@@H]2CSCCN2C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cn1 ZINC000331673520 484350011 /nfs/dbraw/zinc/35/00/11/484350011.db2.gz UWSDMAOIGTVXCU-PWSUYJOCSA-N -1 0 352.416 -0.030 20 0 FBADRM Cn1cc([C@H]2CSCCN2C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cn1 ZINC000331673523 484350713 /nfs/dbraw/zinc/35/07/13/484350713.db2.gz UWSDMAOIGTVXCU-ZYHUDNBSSA-N -1 0 352.416 -0.030 20 0 FBADRM Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CC[C@H](C(=O)[O-])O3)C2=O)n(C)n1 ZINC000331770663 484356109 /nfs/dbraw/zinc/35/61/09/484356109.db2.gz QAMVPTWHIHJMLR-QJPTWQEYSA-N -1 0 350.375 -0.028 20 0 FBADRM Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CC[C@@H](C(=O)[O-])O3)C2=O)n(C)n1 ZINC000331770670 484356809 /nfs/dbraw/zinc/35/68/09/484356809.db2.gz QAMVPTWHIHJMLR-SRVKXCTJSA-N -1 0 350.375 -0.028 20 0 FBADRM Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)C2=O)n(C)n1 ZINC000331770673 244881959 /nfs/dbraw/zinc/88/19/59/244881959.db2.gz QAMVPTWHIHJMLR-TUAOUCFPSA-N -1 0 350.375 -0.028 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3CCC[C@@H]32)CCS1(=O)=O ZINC000331789930 484357920 /nfs/dbraw/zinc/35/79/20/484357920.db2.gz HRKNGOPBZSUXLF-SRVKXCTJSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3CCC[C@H]32)CCS1(=O)=O ZINC000331789932 484358138 /nfs/dbraw/zinc/35/81/38/484358138.db2.gz HRKNGOPBZSUXLF-TUAOUCFPSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3CCC[C@H]32)CCS1(=O)=O ZINC000331789935 484358411 /nfs/dbraw/zinc/35/84/11/484358411.db2.gz HRKNGOPBZSUXLF-UTUOFQBUSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3CCC[C@@H]32)CCS1(=O)=O ZINC000331789938 244881996 /nfs/dbraw/zinc/88/19/96/244881996.db2.gz HRKNGOPBZSUXLF-WOPDTQHZSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000331796299 484357730 /nfs/dbraw/zinc/35/77/30/484357730.db2.gz ACMRGKAJTRKKQZ-QWHCGFSZSA-N -1 0 351.403 -0.220 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000331796353 484357887 /nfs/dbraw/zinc/35/78/87/484357887.db2.gz AFSRAIUQJVJXBA-PXAZEXFGSA-N -1 0 367.402 -0.841 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000331796355 484357697 /nfs/dbraw/zinc/35/76/97/484357697.db2.gz AFSRAIUQJVJXBA-SJCJKPOMSA-N -1 0 367.402 -0.841 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000331796357 484359732 /nfs/dbraw/zinc/35/97/32/484359732.db2.gz AFSRAIUQJVJXBA-SJKOYZFVSA-N -1 0 367.402 -0.841 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000331796358 484359224 /nfs/dbraw/zinc/35/92/24/484359224.db2.gz AFSRAIUQJVJXBA-YVEFUNNKSA-N -1 0 367.402 -0.841 20 0 FBADRM CN1CCO[C@@H]2CN(C(=O)C(=O)N=c3nc(C(C)(C)C)[n-]s3)C[C@@H]21 ZINC000331804647 484359520 /nfs/dbraw/zinc/35/95/20/484359520.db2.gz MKLKLLKLFKKMLA-VHSXEESVSA-N -1 0 353.448 -0.263 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@H]1C(=O)[O-] ZINC000331834842 484361229 /nfs/dbraw/zinc/36/12/29/484361229.db2.gz KUXHJTUWINUWML-JHJVBQTASA-N -1 0 367.402 -0.985 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@H]1C(=O)[O-] ZINC000331834845 484360706 /nfs/dbraw/zinc/36/07/06/484360706.db2.gz KUXHJTUWINUWML-UPJWGTAASA-N -1 0 367.402 -0.985 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C2CCCC2)CCS1(=O)=O ZINC000331914339 484367205 /nfs/dbraw/zinc/36/72/05/484367205.db2.gz BCHAYBJSVPARDW-CHWSQXEVSA-N -1 0 372.443 -0.122 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C2CCCC2)CCS1(=O)=O ZINC000331914342 484366847 /nfs/dbraw/zinc/36/68/47/484366847.db2.gz BCHAYBJSVPARDW-OLZOCXBDSA-N -1 0 372.443 -0.122 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C2CCCC2)CCS1(=O)=O ZINC000331914345 244894093 /nfs/dbraw/zinc/89/40/93/244894093.db2.gz BCHAYBJSVPARDW-QWHCGFSZSA-N -1 0 372.443 -0.122 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C2CCCC2)CCS1(=O)=O ZINC000331914346 244893650 /nfs/dbraw/zinc/89/36/50/244893650.db2.gz BCHAYBJSVPARDW-STQMWFEESA-N -1 0 372.443 -0.122 20 0 FBADRM O=C(N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1)C1(O)CCC1 ZINC000331967484 484371511 /nfs/dbraw/zinc/37/15/11/484371511.db2.gz KZMSUAGXINPGRP-UHFFFAOYSA-N -1 0 359.370 -0.121 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCN2C(=O)NC[C@@H]2C1 ZINC000332124416 484381757 /nfs/dbraw/zinc/38/17/57/484381757.db2.gz ZTUOXSKFSQEMBG-SECBINFHSA-N -1 0 374.369 -0.521 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCN2C(=O)NC[C@H]2C1 ZINC000332124417 484381561 /nfs/dbraw/zinc/38/15/61/484381561.db2.gz ZTUOXSKFSQEMBG-VIFPVBQESA-N -1 0 374.369 -0.521 20 0 FBADRM CN1C(=O)N[C@@H]2CN(C(=O)C(=O)N=c3nc(C(C)(C)C)[n-]s3)CC[C@@H]21 ZINC000332176089 484384876 /nfs/dbraw/zinc/38/48/76/484384876.db2.gz RBBVOIYJDJQIQK-BDAKNGLRSA-N -1 0 366.447 -0.180 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2Cc3ccccc3C2)CCS1(=O)=O ZINC000332186502 484386287 /nfs/dbraw/zinc/38/62/87/484386287.db2.gz FREPLCUPGAMHAT-GFCCVEGCSA-N -1 0 352.368 -0.761 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2Cc3ccccc3C2)CCS1(=O)=O ZINC000332186528 484385864 /nfs/dbraw/zinc/38/58/64/484385864.db2.gz FREPLCUPGAMHAT-LBPRGKRZSA-N -1 0 352.368 -0.761 20 0 FBADRM C[C@H]1c2ccccc2CN1C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000332201663 484387690 /nfs/dbraw/zinc/38/76/90/484387690.db2.gz HXOSWPNMYNXQCB-GWCFXTLKSA-N -1 0 366.395 -0.200 20 0 FBADRM C[C@H]1c2ccccc2CN1C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000332201678 484388406 /nfs/dbraw/zinc/38/84/06/484388406.db2.gz HXOSWPNMYNXQCB-GXFFZTMASA-N -1 0 366.395 -0.200 20 0 FBADRM C[C@@H]1c2ccccc2CN1C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000332201681 484387839 /nfs/dbraw/zinc/38/78/39/484387839.db2.gz HXOSWPNMYNXQCB-MFKMUULPSA-N -1 0 366.395 -0.200 20 0 FBADRM C[C@@H]1c2ccccc2CN1C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000332201684 484387880 /nfs/dbraw/zinc/38/78/80/484387880.db2.gz HXOSWPNMYNXQCB-ZWNOBZJWSA-N -1 0 366.395 -0.200 20 0 FBADRM CC(C)(C)c1nc(=NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)s[n-]1 ZINC000332204010 484388340 /nfs/dbraw/zinc/38/83/40/484388340.db2.gz ZQIZGTZKOVGMKF-JTQLQIEISA-N -1 0 353.448 -0.261 20 0 FBADRM CC(C)(C)c1nc(=NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)s[n-]1 ZINC000332204011 484388125 /nfs/dbraw/zinc/38/81/25/484388125.db2.gz ZQIZGTZKOVGMKF-SNVBAGLBSA-N -1 0 353.448 -0.261 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2Cc3cccc(F)c3C2)CCS1(=O)=O ZINC000332211601 484388195 /nfs/dbraw/zinc/38/81/95/484388195.db2.gz JXUPTPWLWLIKHS-GFCCVEGCSA-N -1 0 370.358 -0.622 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(F)c3C2)CCS1(=O)=O ZINC000332211662 484387708 /nfs/dbraw/zinc/38/77/08/484387708.db2.gz JXUPTPWLWLIKHS-LBPRGKRZSA-N -1 0 370.358 -0.622 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCC[C@@H]3C2)CCS1(=O)=O ZINC000332232190 484389761 /nfs/dbraw/zinc/38/97/61/484389761.db2.gz OUUMENNPVGCMHZ-GRYCIOLGSA-N -1 0 358.416 -0.655 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCC[C@@H]3C2)CCS1(=O)=O ZINC000332232195 484389728 /nfs/dbraw/zinc/38/97/28/484389728.db2.gz OUUMENNPVGCMHZ-TUAOUCFPSA-N -1 0 358.416 -0.655 20 0 FBADRM O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2ccc(F)cc2[O-])CC1 ZINC000332250163 484391524 /nfs/dbraw/zinc/39/15/24/484391524.db2.gz CHPJPSQCTQYWNZ-UHFFFAOYSA-N -1 0 363.345 -0.035 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC000332254732 244921985 /nfs/dbraw/zinc/92/19/85/244921985.db2.gz BBHFBJUPBAJFHU-AGIUHOORSA-N -1 0 374.459 -0.019 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC000332254748 484393008 /nfs/dbraw/zinc/39/30/08/484393008.db2.gz BBHFBJUPBAJFHU-FRRDWIJNSA-N -1 0 374.459 -0.019 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC000332254751 484392564 /nfs/dbraw/zinc/39/25/64/484392564.db2.gz BBHFBJUPBAJFHU-JHJVBQTASA-N -1 0 374.459 -0.019 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC000332254754 484392094 /nfs/dbraw/zinc/39/20/94/484392094.db2.gz BBHFBJUPBAJFHU-UPJWGTAASA-N -1 0 374.459 -0.019 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3cnn(C)c3)CC2)C1 ZINC000332266653 244920910 /nfs/dbraw/zinc/92/09/10/244920910.db2.gz DMTGQXKBTGZEMH-CHWSQXEVSA-N -1 0 363.418 -0.362 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3cnn(C)c3)CC2)C1 ZINC000332266654 484392571 /nfs/dbraw/zinc/39/25/71/484392571.db2.gz DMTGQXKBTGZEMH-OLZOCXBDSA-N -1 0 363.418 -0.362 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3cnn(C)c3)CC2)C1 ZINC000332266655 484392909 /nfs/dbraw/zinc/39/29/09/484392909.db2.gz DMTGQXKBTGZEMH-QWHCGFSZSA-N -1 0 363.418 -0.362 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3cnn(C)c3)CC2)C1 ZINC000332266656 484392529 /nfs/dbraw/zinc/39/25/29/484392529.db2.gz DMTGQXKBTGZEMH-STQMWFEESA-N -1 0 363.418 -0.362 20 0 FBADRM Cc1cccc2c1N(C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)CC2 ZINC000332275926 484393654 /nfs/dbraw/zinc/39/36/54/484393654.db2.gz QHQBPRSDHUHZKP-GFCCVEGCSA-N -1 0 366.395 -0.406 20 0 FBADRM Cc1cccc2c1N(C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)CC2 ZINC000332275931 484393604 /nfs/dbraw/zinc/39/36/04/484393604.db2.gz QHQBPRSDHUHZKP-LBPRGKRZSA-N -1 0 366.395 -0.406 20 0 FBADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000332277506 484394559 /nfs/dbraw/zinc/39/45/59/484394559.db2.gz QSVOKDXGFSHJPE-MROQNXINSA-N -1 0 372.443 -0.124 20 0 FBADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000332277515 484394669 /nfs/dbraw/zinc/39/46/69/484394669.db2.gz QSVOKDXGFSHJPE-VOAKCMCISA-N -1 0 372.443 -0.124 20 0 FBADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000332277521 484393596 /nfs/dbraw/zinc/39/35/96/484393596.db2.gz QSVOKDXGFSHJPE-XQHKEYJVSA-N -1 0 372.443 -0.124 20 0 FBADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000332277526 484394368 /nfs/dbraw/zinc/39/43/68/484394368.db2.gz QSVOKDXGFSHJPE-YVECIDJPSA-N -1 0 372.443 -0.124 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)[C@@H]2CCCC[C@@H]21 ZINC000332289660 484396228 /nfs/dbraw/zinc/39/62/28/484396228.db2.gz SQQXMDLCMCHWKQ-LPWJVIDDSA-N -1 0 372.443 -0.266 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)[C@H]2CCCC[C@H]12 ZINC000332289662 244923011 /nfs/dbraw/zinc/92/30/11/244923011.db2.gz SQQXMDLCMCHWKQ-NDBYEHHHSA-N -1 0 372.443 -0.266 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)[C@H]2CCCC[C@@H]12 ZINC000332289664 484395807 /nfs/dbraw/zinc/39/58/07/484395807.db2.gz SQQXMDLCMCHWKQ-VOAKCMCISA-N -1 0 372.443 -0.266 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)[C@@H]2CCCC[C@H]21 ZINC000332289666 244924057 /nfs/dbraw/zinc/92/40/57/244924057.db2.gz SQQXMDLCMCHWKQ-XQHKEYJVSA-N -1 0 372.443 -0.266 20 0 FBADRM CC(C)[C@@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1 ZINC000332291584 244923041 /nfs/dbraw/zinc/92/30/41/244923041.db2.gz HMJPYCPXWMCCIP-CHWSQXEVSA-N -1 0 374.459 -0.019 20 0 FBADRM CC(C)[C@@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1 ZINC000332291585 484396221 /nfs/dbraw/zinc/39/62/21/484396221.db2.gz HMJPYCPXWMCCIP-OLZOCXBDSA-N -1 0 374.459 -0.019 20 0 FBADRM CC(C)[C@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1 ZINC000332291586 484395442 /nfs/dbraw/zinc/39/54/42/484395442.db2.gz HMJPYCPXWMCCIP-QWHCGFSZSA-N -1 0 374.459 -0.019 20 0 FBADRM CC(C)[C@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1 ZINC000332291587 484395898 /nfs/dbraw/zinc/39/58/98/484395898.db2.gz HMJPYCPXWMCCIP-STQMWFEESA-N -1 0 374.459 -0.019 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCc3c2cccc3F)CCS1(=O)=O ZINC000332302268 244927077 /nfs/dbraw/zinc/92/70/77/244927077.db2.gz VQQUFFREFPBWCI-GFCCVEGCSA-N -1 0 370.358 -0.575 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCc3c2cccc3F)CCS1(=O)=O ZINC000332302269 244927118 /nfs/dbraw/zinc/92/71/18/244927118.db2.gz VQQUFFREFPBWCI-LBPRGKRZSA-N -1 0 370.358 -0.575 20 0 FBADRM O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2c([O-])cccc2F)CC1 ZINC000332310314 484397128 /nfs/dbraw/zinc/39/71/28/484397128.db2.gz SPUAWGNOQMSIAY-UHFFFAOYSA-N -1 0 363.345 -0.035 20 0 FBADRM CC1(C)CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1 ZINC000332315711 484398198 /nfs/dbraw/zinc/39/81/98/484398198.db2.gz LILKRQJUPFSSMN-LLVKDONJSA-N -1 0 360.432 -0.265 20 0 FBADRM CC1(C)CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1 ZINC000332315720 244926948 /nfs/dbraw/zinc/92/69/48/244926948.db2.gz LILKRQJUPFSSMN-NSHDSACASA-N -1 0 360.432 -0.265 20 0 FBADRM C[C@@H]1CCSCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000332334284 484399484 /nfs/dbraw/zinc/39/94/84/484399484.db2.gz OODSNCVQAXKKPS-NXEZZACHSA-N -1 0 364.445 -0.949 20 0 FBADRM C[C@H]1CCSCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000332334294 244930375 /nfs/dbraw/zinc/93/03/75/244930375.db2.gz OODSNCVQAXKKPS-UWVGGRQHSA-N -1 0 364.445 -0.949 20 0 FBADRM C[C@H]1CCSCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000332334297 244929070 /nfs/dbraw/zinc/92/90/70/244929070.db2.gz OODSNCVQAXKKPS-VHSXEESVSA-N -1 0 364.445 -0.949 20 0 FBADRM C[C@@H]1CCSCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000332334300 484400551 /nfs/dbraw/zinc/40/05/51/484400551.db2.gz OODSNCVQAXKKPS-ZJUUUORDSA-N -1 0 364.445 -0.949 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)C1 ZINC000332335960 484400543 /nfs/dbraw/zinc/40/05/43/484400543.db2.gz REHKSDCBBTURPD-MROQNXINSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)C1 ZINC000332335964 484399499 /nfs/dbraw/zinc/39/94/99/484399499.db2.gz REHKSDCBBTURPD-VOAKCMCISA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@H]2C[C@H]3CCCCN3C2=O)C1 ZINC000332335968 484399992 /nfs/dbraw/zinc/39/99/92/484399992.db2.gz REHKSDCBBTURPD-XQHKEYJVSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)C1 ZINC000332335971 244928812 /nfs/dbraw/zinc/92/88/12/244928812.db2.gz REHKSDCBBTURPD-YVECIDJPSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCS1 ZINC000332338356 484401653 /nfs/dbraw/zinc/40/16/53/484401653.db2.gz PFCVRYVJLLXIDS-NXEZZACHSA-N -1 0 364.445 -0.949 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCS1 ZINC000332338358 484401987 /nfs/dbraw/zinc/40/19/87/484401987.db2.gz PFCVRYVJLLXIDS-UWVGGRQHSA-N -1 0 364.445 -0.949 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCS1 ZINC000332338360 484401866 /nfs/dbraw/zinc/40/18/66/484401866.db2.gz PFCVRYVJLLXIDS-VHSXEESVSA-N -1 0 364.445 -0.949 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCS1 ZINC000332338362 484401313 /nfs/dbraw/zinc/40/13/13/484401313.db2.gz PFCVRYVJLLXIDS-ZJUUUORDSA-N -1 0 364.445 -0.949 20 0 FBADRM CN(C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C1CCCCCC1 ZINC000332376225 535940928 /nfs/dbraw/zinc/94/09/28/535940928.db2.gz ZJFUMHRTJCRWFO-GFCCVEGCSA-N -1 0 360.432 -0.122 20 0 FBADRM CN(C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C1CCCCCC1 ZINC000332376226 484405603 /nfs/dbraw/zinc/40/56/03/484405603.db2.gz ZJFUMHRTJCRWFO-LBPRGKRZSA-N -1 0 360.432 -0.122 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C[C@@H](C)C1 ZINC000332379206 484405807 /nfs/dbraw/zinc/40/58/07/484405807.db2.gz XMPVLRDYTFZRQE-GRYCIOLGSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1C[C@H](C)CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000332379223 484405795 /nfs/dbraw/zinc/40/57/95/484405795.db2.gz XMPVLRDYTFZRQE-IJLUTSLNSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1C[C@H](C)CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000332379225 484404808 /nfs/dbraw/zinc/40/48/08/484404808.db2.gz XMPVLRDYTFZRQE-UTUOFQBUSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C[C@@H](C)C1 ZINC000332379229 484404863 /nfs/dbraw/zinc/40/48/63/484404863.db2.gz XMPVLRDYTFZRQE-WOPDTQHZSA-N -1 0 360.432 -0.409 20 0 FBADRM CC[C@@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1 ZINC000332387784 484405914 /nfs/dbraw/zinc/40/59/14/484405914.db2.gz ZDYBONVUKQRFJF-NEPJUHHUSA-N -1 0 360.432 -0.265 20 0 FBADRM CC[C@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1 ZINC000332387785 244936918 /nfs/dbraw/zinc/93/69/18/244936918.db2.gz ZDYBONVUKQRFJF-NWDGAFQWSA-N -1 0 360.432 -0.265 20 0 FBADRM CC[C@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1 ZINC000332387823 484405974 /nfs/dbraw/zinc/40/59/74/484405974.db2.gz ZDYBONVUKQRFJF-RYUDHWBXSA-N -1 0 360.432 -0.265 20 0 FBADRM CC[C@@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1 ZINC000332387826 484407048 /nfs/dbraw/zinc/40/70/48/484407048.db2.gz ZDYBONVUKQRFJF-VXGBXAGGSA-N -1 0 360.432 -0.265 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)C1 ZINC000332398164 484406778 /nfs/dbraw/zinc/40/67/78/484406778.db2.gz XLDCTUPCGYQGJB-MROQNXINSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)C1 ZINC000332398169 484407592 /nfs/dbraw/zinc/40/75/92/484407592.db2.gz XLDCTUPCGYQGJB-VOAKCMCISA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)C1 ZINC000332398173 484407312 /nfs/dbraw/zinc/40/73/12/484407312.db2.gz XLDCTUPCGYQGJB-XQHKEYJVSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)C1 ZINC000332398175 484406710 /nfs/dbraw/zinc/40/67/10/484406710.db2.gz XLDCTUPCGYQGJB-YVECIDJPSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCO[C@H](c3cnn(C)c3)C2)C1 ZINC000332436319 244938113 /nfs/dbraw/zinc/93/81/13/244938113.db2.gz WFKKVEWKYRHHJU-BZPMIXESSA-N -1 0 364.402 -0.111 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCO[C@H](c3cnn(C)c3)C2)C1 ZINC000332436321 244939841 /nfs/dbraw/zinc/93/98/41/244939841.db2.gz WFKKVEWKYRHHJU-DYEKYZERSA-N -1 0 364.402 -0.111 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCO[C@@H](c3cnn(C)c3)C2)C1 ZINC000332436323 484410345 /nfs/dbraw/zinc/41/03/45/484410345.db2.gz WFKKVEWKYRHHJU-MBNYWOFBSA-N -1 0 364.402 -0.111 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCO[C@@H](c3cnn(C)c3)C2)C1 ZINC000332436325 244938931 /nfs/dbraw/zinc/93/89/31/244938931.db2.gz WFKKVEWKYRHHJU-YRGRVCCFSA-N -1 0 364.402 -0.111 20 0 FBADRM CCN(C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C1CC(C)(C)C1 ZINC000332453915 484411369 /nfs/dbraw/zinc/41/13/69/484411369.db2.gz HZCCXNOQKJXQTJ-LLVKDONJSA-N -1 0 360.432 -0.266 20 0 FBADRM CCN(C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C1CC(C)(C)C1 ZINC000332453916 484412107 /nfs/dbraw/zinc/41/21/07/484412107.db2.gz HZCCXNOQKJXQTJ-NSHDSACASA-N -1 0 360.432 -0.266 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000332472499 484414114 /nfs/dbraw/zinc/41/41/14/484414114.db2.gz NRDIYGZKJCFLRS-CHWSQXEVSA-N -1 0 367.402 -0.841 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000332472500 484414245 /nfs/dbraw/zinc/41/42/45/484414245.db2.gz NRDIYGZKJCFLRS-OLZOCXBDSA-N -1 0 367.402 -0.841 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000332472501 484413373 /nfs/dbraw/zinc/41/33/73/484413373.db2.gz NRDIYGZKJCFLRS-QWHCGFSZSA-N -1 0 367.402 -0.841 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000332472502 244944285 /nfs/dbraw/zinc/94/42/85/244944285.db2.gz NRDIYGZKJCFLRS-STQMWFEESA-N -1 0 367.402 -0.841 20 0 FBADRM C[C@@H](O)C(=O)N1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CC1 ZINC000332500606 484417030 /nfs/dbraw/zinc/41/70/30/484417030.db2.gz DABGQEIGKDVBPB-LLVKDONJSA-N -1 0 352.416 -0.467 20 0 FBADRM C[C@H](O)C(=O)N1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CC1 ZINC000332500608 244949215 /nfs/dbraw/zinc/94/92/15/244949215.db2.gz DABGQEIGKDVBPB-NSHDSACASA-N -1 0 352.416 -0.467 20 0 FBADRM COCC(=O)N1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CC1 ZINC000332503509 484418842 /nfs/dbraw/zinc/41/88/42/484418842.db2.gz DZNFSUMEAFYUKW-UHFFFAOYSA-N -1 0 352.416 -0.201 20 0 FBADRM CCS(=O)(=O)N1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CC1 ZINC000332524187 484420435 /nfs/dbraw/zinc/42/04/35/484420435.db2.gz NXOFXZVJDQXERU-UHFFFAOYSA-N -1 0 372.472 -0.024 20 0 FBADRM C[C@@H]1CCCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@H]1C(=O)[O-] ZINC000332525382 244951826 /nfs/dbraw/zinc/95/18/26/244951826.db2.gz OKEMVATZERPSSX-BXKDBHETSA-N -1 0 360.370 -0.043 20 0 FBADRM C[C@H]1CCCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@@H]1C(=O)[O-] ZINC000332525385 484420101 /nfs/dbraw/zinc/42/01/01/484420101.db2.gz OKEMVATZERPSSX-CABZTGNLSA-N -1 0 360.370 -0.043 20 0 FBADRM C[C@H]1CCCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@H]1C(=O)[O-] ZINC000332525389 484420156 /nfs/dbraw/zinc/42/01/56/484420156.db2.gz OKEMVATZERPSSX-JOYOIKCWSA-N -1 0 360.370 -0.043 20 0 FBADRM C[C@@H]1CCCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@@H]1C(=O)[O-] ZINC000332525393 484420559 /nfs/dbraw/zinc/42/05/59/484420559.db2.gz OKEMVATZERPSSX-SKDRFNHKSA-N -1 0 360.370 -0.043 20 0 FBADRM C[C@@H]1CCCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)[C@H]1C(=O)[O-] ZINC000332537087 244955263 /nfs/dbraw/zinc/95/52/63/244955263.db2.gz VSLCEUXLZGVEAL-BXKDBHETSA-N -1 0 360.370 -0.043 20 0 FBADRM C[C@H]1CCCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)[C@@H]1C(=O)[O-] ZINC000332537089 484422331 /nfs/dbraw/zinc/42/23/31/484422331.db2.gz VSLCEUXLZGVEAL-CABZTGNLSA-N -1 0 360.370 -0.043 20 0 FBADRM C[C@H]1CCCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)[C@H]1C(=O)[O-] ZINC000332537092 484423002 /nfs/dbraw/zinc/42/30/02/484423002.db2.gz VSLCEUXLZGVEAL-JOYOIKCWSA-N -1 0 360.370 -0.043 20 0 FBADRM C[C@@H]1CCCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)[C@@H]1C(=O)[O-] ZINC000332537093 484423076 /nfs/dbraw/zinc/42/30/76/484423076.db2.gz VSLCEUXLZGVEAL-SKDRFNHKSA-N -1 0 360.370 -0.043 20 0 FBADRM CC(=O)NC[C@@H]1CN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CCO1 ZINC000332538835 484422387 /nfs/dbraw/zinc/42/23/87/484422387.db2.gz WMSQGBBKBUUMFY-GFCCVEGCSA-N -1 0 352.416 -0.155 20 0 FBADRM CC(=O)NC[C@H]1CN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CCO1 ZINC000332538836 484423064 /nfs/dbraw/zinc/42/30/64/484423064.db2.gz WMSQGBBKBUUMFY-LBPRGKRZSA-N -1 0 352.416 -0.155 20 0 FBADRM C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000332566501 484425968 /nfs/dbraw/zinc/42/59/68/484425968.db2.gz SVCPDLZVMGYCQY-LLVKDONJSA-N -1 0 368.507 -0.052 20 0 FBADRM C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000332566503 484426052 /nfs/dbraw/zinc/42/60/52/484426052.db2.gz SVCPDLZVMGYCQY-NSHDSACASA-N -1 0 368.507 -0.052 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCc3sccc3C2)CCS1(=O)=O ZINC000332589142 484427314 /nfs/dbraw/zinc/42/73/14/484427314.db2.gz FOVILDNFDFYVEB-LLVKDONJSA-N -1 0 372.424 -0.657 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCc3sccc3C2)CCS1(=O)=O ZINC000332589144 484427237 /nfs/dbraw/zinc/42/72/37/484427237.db2.gz FOVILDNFDFYVEB-NSHDSACASA-N -1 0 372.424 -0.657 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCc3ccccc3C2)CCS1(=O)=O ZINC000332612174 484429204 /nfs/dbraw/zinc/42/92/04/484429204.db2.gz PGHQCBUTUDSSRA-CYBMUJFWSA-N -1 0 366.395 -0.719 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCc3ccccc3C2)CCS1(=O)=O ZINC000332612175 484428653 /nfs/dbraw/zinc/42/86/53/484428653.db2.gz PGHQCBUTUDSSRA-ZDUSSCGKSA-N -1 0 366.395 -0.719 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000332628286 484431907 /nfs/dbraw/zinc/43/19/07/484431907.db2.gz OHIHEXISZWJHME-LLVKDONJSA-N -1 0 352.372 -0.566 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000332628288 484431685 /nfs/dbraw/zinc/43/16/85/484431685.db2.gz OHIHEXISZWJHME-NSHDSACASA-N -1 0 352.372 -0.566 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCc3ccsc3C2)CCS1(=O)=O ZINC000332628812 484432588 /nfs/dbraw/zinc/43/25/88/484432588.db2.gz PDXRVAIADNHAFO-LLVKDONJSA-N -1 0 372.424 -0.657 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCc3ccsc3C2)CCS1(=O)=O ZINC000332628813 484432855 /nfs/dbraw/zinc/43/28/55/484432855.db2.gz PDXRVAIADNHAFO-NSHDSACASA-N -1 0 372.424 -0.657 20 0 FBADRM CCOC(=O)C1CCN(C(=O)[C@H](C)N2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000332642499 484434177 /nfs/dbraw/zinc/43/41/77/484434177.db2.gz RSHASVZVSFZETK-AAEUAGOBSA-N -1 0 366.418 -0.587 20 0 FBADRM CCOC(=O)C1CCN(C(=O)[C@@H](C)N2CCN3C(=O)NC(=O)[C@H]3C2)CC1 ZINC000332642501 484434484 /nfs/dbraw/zinc/43/44/84/484434484.db2.gz RSHASVZVSFZETK-DGCLKSJQSA-N -1 0 366.418 -0.587 20 0 FBADRM CCOC(=O)C1CCN(C(=O)[C@H](C)N2CCN3C(=O)NC(=O)[C@H]3C2)CC1 ZINC000332642504 484433631 /nfs/dbraw/zinc/43/36/31/484433631.db2.gz RSHASVZVSFZETK-WCQYABFASA-N -1 0 366.418 -0.587 20 0 FBADRM CCOC(=O)C1CCN(C(=O)[C@@H](C)N2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000332642507 484433408 /nfs/dbraw/zinc/43/34/08/484433408.db2.gz RSHASVZVSFZETK-YPMHNXCESA-N -1 0 366.418 -0.587 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000332656852 484437454 /nfs/dbraw/zinc/43/74/54/484437454.db2.gz VXDHNGJZHBVJNR-GFCCVEGCSA-N -1 0 366.399 -0.176 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000332656854 484437187 /nfs/dbraw/zinc/43/71/87/484437187.db2.gz VXDHNGJZHBVJNR-LBPRGKRZSA-N -1 0 366.399 -0.176 20 0 FBADRM CC(=O)N1CCc2cc(C(=O)N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)ccc21 ZINC000332663806 484438156 /nfs/dbraw/zinc/43/81/56/484438156.db2.gz XPXGFWAGXLYZAQ-AWEZNQCLSA-N -1 0 366.395 -0.081 20 0 FBADRM CC(=O)N1CCc2cc(C(=O)N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)ccc21 ZINC000332663809 484438268 /nfs/dbraw/zinc/43/82/68/484438268.db2.gz XPXGFWAGXLYZAQ-CQSZACIVSA-N -1 0 366.395 -0.081 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000332667280 484437365 /nfs/dbraw/zinc/43/73/65/484437365.db2.gz YLCGLORCWNNWAG-LLVKDONJSA-N -1 0 370.362 -0.427 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000332667347 484439210 /nfs/dbraw/zinc/43/92/10/484439210.db2.gz YLCGLORCWNNWAG-NSHDSACASA-N -1 0 370.362 -0.427 20 0 FBADRM O=C(CN1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1)N1CCCCC1 ZINC000332746044 484444465 /nfs/dbraw/zinc/44/44/65/484444465.db2.gz HFCZLBZUXOVBQD-UHFFFAOYSA-N -1 0 372.429 -0.207 20 0 FBADRM O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1c[n-]n2c1nccc2=O ZINC000332812368 484444451 /nfs/dbraw/zinc/44/44/51/484444451.db2.gz NYKANTAFGKWCHX-SNVBAGLBSA-N -1 0 365.415 -0.291 20 0 FBADRM CC(=O)N[C@H]1CCCN(C(=O)CN2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC000332884124 484637620 /nfs/dbraw/zinc/63/76/20/484637620.db2.gz INEATKXXNUSMNO-OLZOCXBDSA-N -1 0 350.423 -0.183 20 0 FBADRM CC(=O)N[C@H]1CCCN(C(=O)CN2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC000332884125 484637656 /nfs/dbraw/zinc/63/76/56/484637656.db2.gz INEATKXXNUSMNO-STQMWFEESA-N -1 0 350.423 -0.183 20 0 FBADRM O=C(CN1CCC(=O)NC1=O)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000333040274 484447192 /nfs/dbraw/zinc/44/71/92/484447192.db2.gz JKTCYAVBBNHKDX-UHFFFAOYSA-N -1 0 360.370 -0.382 20 0 FBADRM Cn1cnn(CC(=O)NC2CCN(C(=O)c3ccccc3O)CC2)c1=O ZINC000333049552 484447743 /nfs/dbraw/zinc/44/77/43/484447743.db2.gz KXYVYSWDXOZYSY-UHFFFAOYSA-N -1 0 359.386 -0.292 20 0 FBADRM Cc1nsc(N2CCCN(C(=O)c3cnc([O-])n(C)c3=O)CC2)n1 ZINC000333110217 244990157 /nfs/dbraw/zinc/99/01/57/244990157.db2.gz FHJIVJZINGRMIT-UHFFFAOYSA-N -1 0 350.404 -0.002 20 0 FBADRM O=C1NC(=O)[C@@]2(CCCN(CC3=Nc4ccccc4S(=O)(=O)[N-]3)C2)N1 ZINC000333134202 658925917 /nfs/dbraw/zinc/92/59/17/658925917.db2.gz JEDKZCDHGPVSMM-HNNXBMFYSA-N -1 0 363.399 -0.318 20 0 FBADRM O=C1NC(=O)[C@]2(CCCN(CC3=Nc4ccccc4S(=O)(=O)[N-]3)C2)N1 ZINC000333134203 658925811 /nfs/dbraw/zinc/92/58/11/658925811.db2.gz JEDKZCDHGPVSMM-OAHLLOKOSA-N -1 0 363.399 -0.318 20 0 FBADRM O=C(CC1(C(=O)NCCc2nc(=O)o[n-]2)CCCC1)N1CCOCC1 ZINC000333347450 245006670 /nfs/dbraw/zinc/00/66/70/245006670.db2.gz VANCZHFZBQQEDI-UHFFFAOYSA-N -1 0 352.391 -0.169 20 0 FBADRM CCC(=O)N1CSC[C@@H]1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000333356945 245007650 /nfs/dbraw/zinc/00/76/50/245007650.db2.gz CEGPBFHAGJXXCI-BDAKNGLRSA-N -1 0 350.418 -0.992 20 0 FBADRM CCC(=O)N1CSC[C@H]1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000333356946 245007658 /nfs/dbraw/zinc/00/76/58/245007658.db2.gz CEGPBFHAGJXXCI-DTWKUNHWSA-N -1 0 350.418 -0.992 20 0 FBADRM CCC(=O)N1CSC[C@H]1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000333356947 245007606 /nfs/dbraw/zinc/00/76/06/245007606.db2.gz CEGPBFHAGJXXCI-IUCAKERBSA-N -1 0 350.418 -0.992 20 0 FBADRM CCC(=O)N1CSC[C@@H]1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000333356948 245006211 /nfs/dbraw/zinc/00/62/11/245006211.db2.gz CEGPBFHAGJXXCI-RKDXNWHRSA-N -1 0 350.418 -0.992 20 0 FBADRM CCCC(=O)N1CSC[C@@H]1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000333364755 245006087 /nfs/dbraw/zinc/00/60/87/245006087.db2.gz DNKBOPRDBHVVPK-NXEZZACHSA-N -1 0 364.445 -0.602 20 0 FBADRM CCCC(=O)N1CSC[C@H]1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000333364756 245006544 /nfs/dbraw/zinc/00/65/44/245006544.db2.gz DNKBOPRDBHVVPK-UWVGGRQHSA-N -1 0 364.445 -0.602 20 0 FBADRM CCCC(=O)N1CSC[C@H]1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000333364757 245006811 /nfs/dbraw/zinc/00/68/11/245006811.db2.gz DNKBOPRDBHVVPK-VHSXEESVSA-N -1 0 364.445 -0.602 20 0 FBADRM CCCC(=O)N1CSC[C@@H]1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000333364758 245007491 /nfs/dbraw/zinc/00/74/91/245007491.db2.gz DNKBOPRDBHVVPK-ZJUUUORDSA-N -1 0 364.445 -0.602 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CCS1(=O)=O ZINC000333545215 245016581 /nfs/dbraw/zinc/01/65/81/245016581.db2.gz ILZSLRNMNZPGMY-KXNHARMFSA-N -1 0 358.416 -0.163 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CCS1(=O)=O ZINC000333545218 245018599 /nfs/dbraw/zinc/01/85/99/245018599.db2.gz ILZSLRNMNZPGMY-NNYUYHANSA-N -1 0 358.416 -0.163 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)CCS1(=O)=O ZINC000333545220 245018261 /nfs/dbraw/zinc/01/82/61/245018261.db2.gz ILZSLRNMNZPGMY-WRWGMCAJSA-N -1 0 358.416 -0.163 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCS1(=O)=O ZINC000333545222 245016705 /nfs/dbraw/zinc/01/67/05/245016705.db2.gz ILZSLRNMNZPGMY-YFKTTZPYSA-N -1 0 358.416 -0.163 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)C[C@H]2CCCC2(F)F)CCS1(=O)=O ZINC000333576769 245021168 /nfs/dbraw/zinc/02/11/68/245021168.db2.gz NFMRPRPAERXRMA-BDAKNGLRSA-N -1 0 361.388 -0.065 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)C[C@@H]2CCCC2(F)F)CCS1(=O)=O ZINC000333576775 245018883 /nfs/dbraw/zinc/01/88/83/245018883.db2.gz NFMRPRPAERXRMA-DTWKUNHWSA-N -1 0 361.388 -0.065 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCC2(F)F)CCS1(=O)=O ZINC000333576777 245019569 /nfs/dbraw/zinc/01/95/69/245019569.db2.gz NFMRPRPAERXRMA-IUCAKERBSA-N -1 0 361.388 -0.065 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)C[C@H]2CCCC2(F)F)CCS1(=O)=O ZINC000333576779 245019761 /nfs/dbraw/zinc/01/97/61/245019761.db2.gz NFMRPRPAERXRMA-RKDXNWHRSA-N -1 0 361.388 -0.065 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2COc3ccccc3C2)CCS1(=O)=O ZINC000333587963 245021779 /nfs/dbraw/zinc/02/17/79/245021779.db2.gz OQVPUZADRPRXRL-AAEUAGOBSA-N -1 0 354.384 -0.117 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)N[C@H]2COc3ccccc3C2)CCS1(=O)=O ZINC000333587966 245020254 /nfs/dbraw/zinc/02/02/54/245020254.db2.gz OQVPUZADRPRXRL-DGCLKSJQSA-N -1 0 354.384 -0.117 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)N[C@@H]2COc3ccccc3C2)CCS1(=O)=O ZINC000333587971 245019966 /nfs/dbraw/zinc/01/99/66/245019966.db2.gz OQVPUZADRPRXRL-WCQYABFASA-N -1 0 354.384 -0.117 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2COc3ccccc3C2)CCS1(=O)=O ZINC000333587978 245021472 /nfs/dbraw/zinc/02/14/72/245021472.db2.gz OQVPUZADRPRXRL-YPMHNXCESA-N -1 0 354.384 -0.117 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)CC1CC(F)(F)C1 ZINC000333596565 245020604 /nfs/dbraw/zinc/02/06/04/245020604.db2.gz PVNBABGHKVKWHX-SSDOTTSWSA-N -1 0 352.319 -0.372 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)CC1CC(F)(F)C1 ZINC000333596651 245021343 /nfs/dbraw/zinc/02/13/43/245021343.db2.gz PVNBABGHKVKWHX-ZETCQYMHSA-N -1 0 352.319 -0.372 20 0 FBADRM CN1C(=O)CCc2cc(C(=O)N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)ccc21 ZINC000333602710 245018941 /nfs/dbraw/zinc/01/89/41/245018941.db2.gz QRYFBBIDFWAQRR-CYBMUJFWSA-N -1 0 366.395 -0.081 20 0 FBADRM CN1C(=O)CCc2cc(C(=O)N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)ccc21 ZINC000333602716 245021457 /nfs/dbraw/zinc/02/14/57/245021457.db2.gz QRYFBBIDFWAQRR-ZDUSSCGKSA-N -1 0 366.395 -0.081 20 0 FBADRM C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)CS2 ZINC000333628434 245023222 /nfs/dbraw/zinc/02/32/22/245023222.db2.gz VJASMCOVEYXHJQ-KKFJDGPESA-N -1 0 362.429 -0.849 20 0 FBADRM C[C@]12CCC(=O)N1[C@H](C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)CS2 ZINC000333628437 245024642 /nfs/dbraw/zinc/02/46/42/245024642.db2.gz VJASMCOVEYXHJQ-RVBZMBCESA-N -1 0 362.429 -0.849 20 0 FBADRM C[C@]12CCC(=O)N1[C@H](C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)CS2 ZINC000333628439 245024839 /nfs/dbraw/zinc/02/48/39/245024839.db2.gz VJASMCOVEYXHJQ-RWEMILLDSA-N -1 0 362.429 -0.849 20 0 FBADRM C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)CS2 ZINC000333628441 245024960 /nfs/dbraw/zinc/02/49/60/245024960.db2.gz VJASMCOVEYXHJQ-ZDMBXUJBSA-N -1 0 362.429 -0.849 20 0 FBADRM CSC1(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCOCC1 ZINC000333641998 245022868 /nfs/dbraw/zinc/02/28/68/245022868.db2.gz XLEBBNIGXFQWNU-JTQLQIEISA-N -1 0 366.461 -0.208 20 0 FBADRM CSC1(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCOCC1 ZINC000333642005 245023693 /nfs/dbraw/zinc/02/36/93/245023693.db2.gz XLEBBNIGXFQWNU-SNVBAGLBSA-N -1 0 366.461 -0.208 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1C(=O)[O-] ZINC000333912878 245034096 /nfs/dbraw/zinc/03/40/96/245034096.db2.gz FPWFGZDUVNKDOI-STQMWFEESA-N -1 0 354.384 -0.029 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)c(F)c1 ZINC000333933704 245033390 /nfs/dbraw/zinc/03/33/90/245033390.db2.gz HXXMFPJQQWYAST-QWRGUYRKSA-N -1 0 358.347 -0.198 20 0 FBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000333937170 245034154 /nfs/dbraw/zinc/03/41/54/245034154.db2.gz LHPGUKIWFFACSP-RYUDHWBXSA-N -1 0 354.384 -0.029 20 0 FBADRM Cc1cc(S(=O)(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)ccc1C(=O)[O-] ZINC000333939736 245034213 /nfs/dbraw/zinc/03/42/13/245034213.db2.gz NLFAYJDAPVKYHB-STQMWFEESA-N -1 0 354.384 -0.029 20 0 FBADRM O=C([O-])c1cc(F)cc(S(=O)(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)c1 ZINC000333943410 245034847 /nfs/dbraw/zinc/03/48/47/245034847.db2.gz QXXWLPDRKXKJSQ-RYUDHWBXSA-N -1 0 358.347 -0.198 20 0 FBADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000333947317 245033608 /nfs/dbraw/zinc/03/36/08/245033608.db2.gz VMEVCYUPSSWVNB-RYUDHWBXSA-N -1 0 354.384 -0.029 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000333948767 245032255 /nfs/dbraw/zinc/03/22/55/245032255.db2.gz WPWWQCFRMULQNP-RYUDHWBXSA-N -1 0 354.384 -0.029 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCCCO2)nn1 ZINC000348334554 484139651 /nfs/dbraw/zinc/13/96/51/484139651.db2.gz AFOJPICCCCMWJH-UHFFFAOYSA-N -1 0 367.453 -0.306 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCCO2)nnn1C ZINC000348334594 485161400 /nfs/dbraw/zinc/16/14/00/485161400.db2.gz AKJWDSJJANYJEN-UHFFFAOYSA-N -1 0 367.453 -0.387 20 0 FBADRM CS[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000348334695 483891243 /nfs/dbraw/zinc/89/12/43/483891243.db2.gz AKAMPVCTNSLIKJ-SECBINFHSA-N -1 0 369.494 -0.296 20 0 FBADRM CS[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000348334697 483891174 /nfs/dbraw/zinc/89/11/74/483891174.db2.gz AKAMPVCTNSLIKJ-VIFPVBQESA-N -1 0 369.494 -0.296 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCC[C@@H]1C(F)F)[N-]c1nc[nH]n1 ZINC000348334708 484140169 /nfs/dbraw/zinc/14/01/69/484140169.db2.gz ALQQDTWHXMDYRD-MRVPVSSYSA-N -1 0 373.407 -0.004 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(O)C2)o1 ZINC000348334712 484140128 /nfs/dbraw/zinc/14/01/28/484140128.db2.gz AMBFPAUSPXFAGX-UHFFFAOYSA-N -1 0 353.422 -0.489 20 0 FBADRM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCO2)n1 ZINC000348334919 484517246 /nfs/dbraw/zinc/51/72/46/484517246.db2.gz AVOQYHWUYFYIHL-UHFFFAOYSA-N -1 0 350.422 -0.116 20 0 FBADRM COc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCO2)nc1 ZINC000348335132 484139011 /nfs/dbraw/zinc/13/90/11/484139011.db2.gz BIKHZQYTIQIHFW-UHFFFAOYSA-N -1 0 366.421 -0.416 20 0 FBADRM CCOC(=O)c1ncc([N-]S(=O)(=O)CCCS(N)(=O)=O)s1 ZINC000348335140 484138904 /nfs/dbraw/zinc/13/89/04/484138904.db2.gz BIMOIHGDJFNELJ-UHFFFAOYSA-N -1 0 357.435 -0.260 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCO2)nn1C ZINC000348335171 484139106 /nfs/dbraw/zinc/13/91/06/484139106.db2.gz BMLDRMANCRDJPV-UHFFFAOYSA-N -1 0 353.426 -0.778 20 0 FBADRM COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nccc(C)n2)C1 ZINC000348335211 484140085 /nfs/dbraw/zinc/14/00/85/484140085.db2.gz AZVKCDDICNKPCA-UHFFFAOYSA-N -1 0 364.449 -0.423 20 0 FBADRM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)n1 ZINC000348335373 484517306 /nfs/dbraw/zinc/51/73/06/484517306.db2.gz BGIZVPAPVQFRAT-LLVKDONJSA-N -1 0 364.449 -0.687 20 0 FBADRM COc1cncc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCO2)n1 ZINC000348335604 484459605 /nfs/dbraw/zinc/45/96/05/484459605.db2.gz CDZOGUIEBHONKP-UHFFFAOYSA-N -1 0 366.421 -0.416 20 0 FBADRM COc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)nc1 ZINC000348336308 484139486 /nfs/dbraw/zinc/13/94/86/484139486.db2.gz CGRGBTKBYXGKEO-UHFFFAOYSA-N -1 0 366.421 -0.764 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCCO2)nn1C ZINC000348336337 484139093 /nfs/dbraw/zinc/13/90/93/484139093.db2.gz FDBLPPWPSDXXSX-UHFFFAOYSA-N -1 0 367.453 -0.387 20 0 FBADRM CCc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)o1 ZINC000348336414 485161589 /nfs/dbraw/zinc/16/15/89/485161589.db2.gz CSQOMMWFYNPDFN-UHFFFAOYSA-N -1 0 353.422 -0.012 20 0 FBADRM COc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCO2)ncn1 ZINC000348336423 484517298 /nfs/dbraw/zinc/51/72/98/484517298.db2.gz FKAPJQOGAGDHEL-UHFFFAOYSA-N -1 0 366.421 -0.416 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC=C(F)C2)nn1 ZINC000348337184 484140000 /nfs/dbraw/zinc/14/00/00/484140000.db2.gz CZIQECKKTYXYHH-UHFFFAOYSA-N -1 0 367.428 -0.164 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCC[C@@H]1CF)[N-]c1nc[nH]n1 ZINC000348337893 484139182 /nfs/dbraw/zinc/13/91/82/484139182.db2.gz DKUUMOPKPVCTJE-SECBINFHSA-N -1 0 355.417 -0.300 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCC[C@H]1CF)[N-]c1nc[nH]n1 ZINC000348337901 484140141 /nfs/dbraw/zinc/14/01/41/484140141.db2.gz DKUUMOPKPVCTJE-VIFPVBQESA-N -1 0 355.417 -0.300 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(N(C)C)C2)o1 ZINC000348338083 484140231 /nfs/dbraw/zinc/14/02/31/484140231.db2.gz FBZFOFOFDGDJRK-UHFFFAOYSA-N -1 0 366.465 -0.310 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCCCCO1)[N-]c1nc[nH]n1 ZINC000348338742 484141416 /nfs/dbraw/zinc/14/14/16/484141416.db2.gz JLHGYNGWXBFUBY-UHFFFAOYSA-N -1 0 353.426 -0.316 20 0 FBADRM C[C@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000348338764 484140696 /nfs/dbraw/zinc/14/06/96/484140696.db2.gz FGSVSJAVRHOHRR-JTQLQIEISA-N -1 0 355.417 -0.300 20 0 FBADRM C[C@@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000348338765 484140765 /nfs/dbraw/zinc/14/07/65/484140765.db2.gz FGSVSJAVRHOHRR-SNVBAGLBSA-N -1 0 355.417 -0.300 20 0 FBADRM Cc1cc(C)nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)n1 ZINC000348338819 485161318 /nfs/dbraw/zinc/16/13/18/485161318.db2.gz FNZOPPOZOQSZRF-UHFFFAOYSA-N -1 0 364.449 -0.155 20 0 FBADRM CCc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)o1 ZINC000348338856 485161285 /nfs/dbraw/zinc/16/12/85/485161285.db2.gz FSSOUXYODNMIEZ-SNVBAGLBSA-N -1 0 367.449 -0.235 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1C[C@@H](F)[C@@H](F)C1)[N-]c1ncccn1 ZINC000348338890 484141099 /nfs/dbraw/zinc/14/10/99/484141099.db2.gz FTUZBFQQILCOME-AOOOYVTPSA-N -1 0 370.403 -0.070 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C2(CO)CC2)o1 ZINC000348338900 484142189 /nfs/dbraw/zinc/14/21/89/484142189.db2.gz FUGMFZAVRZPTPD-UHFFFAOYSA-N -1 0 367.449 -0.099 20 0 FBADRM COc1cncnc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCO1 ZINC000348339100 484140886 /nfs/dbraw/zinc/14/08/86/484140886.db2.gz KDRIMKKNQAXIHV-UHFFFAOYSA-N -1 0 366.421 -0.416 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCCCO2)n1 ZINC000348339104 484517219 /nfs/dbraw/zinc/51/72/19/484517219.db2.gz KETAQVWFVPQSJR-UHFFFAOYSA-N -1 0 367.453 -0.306 20 0 FBADRM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)CO)n1 ZINC000348339714 484141389 /nfs/dbraw/zinc/14/13/89/484141389.db2.gz GLZLAOHZDRHGKD-LLVKDONJSA-N -1 0 366.465 -0.441 20 0 FBADRM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CO)n1 ZINC000348339717 485161148 /nfs/dbraw/zinc/16/11/48/485161148.db2.gz GLZLAOHZDRHGKD-NSHDSACASA-N -1 0 366.465 -0.441 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)o1 ZINC000348339718 484140629 /nfs/dbraw/zinc/14/06/29/484140629.db2.gz GMHPXTAIWLJRKB-SNVBAGLBSA-N -1 0 353.422 -0.489 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](C)[C@H](O)C2)o1 ZINC000348341010 485161162 /nfs/dbraw/zinc/16/11/62/485161162.db2.gz HODRURMXCWZNRC-GXSJLCMTSA-N -1 0 367.449 -0.243 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](C)[C@@H](O)C2)o1 ZINC000348341016 485161929 /nfs/dbraw/zinc/16/19/29/485161929.db2.gz HODRURMXCWZNRC-KOLCDFICSA-N -1 0 367.449 -0.243 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](C)[C@H](O)C2)o1 ZINC000348341018 485161427 /nfs/dbraw/zinc/16/14/27/485161427.db2.gz HODRURMXCWZNRC-MWLCHTKSSA-N -1 0 367.449 -0.243 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](O)[C@@H](C)C2)o1 ZINC000348341020 485161442 /nfs/dbraw/zinc/16/14/42/485161442.db2.gz HODRURMXCWZNRC-ONGXEEELSA-N -1 0 367.449 -0.243 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)[C@H]2C)o1 ZINC000348341060 485161879 /nfs/dbraw/zinc/16/18/79/485161879.db2.gz HSHUUHHQMQGHLR-GHMZBOCLSA-N -1 0 367.449 -0.100 20 0 FBADRM CCc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(O)C2)o1 ZINC000348341072 485161835 /nfs/dbraw/zinc/16/18/35/485161835.db2.gz HTCOBLKATWZDKZ-UHFFFAOYSA-N -1 0 367.449 -0.235 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCC=C(F)C1)[N-]c1nc[nH]n1 ZINC000348341169 484517417 /nfs/dbraw/zinc/51/74/17/484517417.db2.gz IJXWQZMPPOKSIC-UHFFFAOYSA-N -1 0 353.401 -0.175 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C2CC(O)C2)o1 ZINC000348341878 484141916 /nfs/dbraw/zinc/14/19/16/484141916.db2.gz IOFYDBKQPRYMTA-UHFFFAOYSA-N -1 0 367.449 -0.100 20 0 FBADRM COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncc(C)o2)C1 ZINC000348341924 484517318 /nfs/dbraw/zinc/51/73/18/484517318.db2.gz ISSHCALGKUKDFU-UHFFFAOYSA-N -1 0 353.422 -0.225 20 0 FBADRM CCc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)o1 ZINC000348343064 484141933 /nfs/dbraw/zinc/14/19/33/484141933.db2.gz JMXVAVGQLFDHOP-UHFFFAOYSA-N -1 0 354.410 -0.617 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOC2)nc1 ZINC000348343087 660037200 /nfs/dbraw/zinc/03/72/00/660037200.db2.gz JSKBCHVMCNXHSQ-UHFFFAOYSA-N -1 0 364.449 -0.074 20 0 FBADRM COc1cncc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C2CC2)n1 ZINC000348344108 484459445 /nfs/dbraw/zinc/45/94/45/484459445.db2.gz KEVLFYVIKAAKQQ-UHFFFAOYSA-N -1 0 364.449 0.041 20 0 FBADRM CCc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(CO)C2)o1 ZINC000348344202 485161821 /nfs/dbraw/zinc/16/18/21/485161821.db2.gz KKGBOPRSTLIIIY-UHFFFAOYSA-N -1 0 367.449 -0.377 20 0 FBADRM CC1(C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C[C@@H]1O ZINC000348344883 484141232 /nfs/dbraw/zinc/14/12/32/484141232.db2.gz KVWBEGZQIFAPTP-JTQLQIEISA-N -1 0 367.449 -0.161 20 0 FBADRM CC1(C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C[C@H]1O ZINC000348344884 484140950 /nfs/dbraw/zinc/14/09/50/484140950.db2.gz KVWBEGZQIFAPTP-SNVBAGLBSA-N -1 0 367.449 -0.161 20 0 FBADRM COC[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000348344915 484141108 /nfs/dbraw/zinc/14/11/08/484141108.db2.gz LCRZCIWDZVQPNC-JTQLQIEISA-N -1 0 353.422 -0.143 20 0 FBADRM COC[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000348344916 484141154 /nfs/dbraw/zinc/14/11/54/484141154.db2.gz LCRZCIWDZVQPNC-SNVBAGLBSA-N -1 0 353.422 -0.143 20 0 FBADRM CN([C@H]1CCCOC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000348345824 484141275 /nfs/dbraw/zinc/14/12/75/484141275.db2.gz LIKUJWNURSJJAS-JTQLQIEISA-N -1 0 367.453 -0.623 20 0 FBADRM CN([C@@H]1CCCOC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000348345833 484141869 /nfs/dbraw/zinc/14/18/69/484141869.db2.gz LIKUJWNURSJJAS-SNVBAGLBSA-N -1 0 367.453 -0.623 20 0 FBADRM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOC2)n1 ZINC000348345852 484518455 /nfs/dbraw/zinc/51/84/55/484518455.db2.gz LKANNYANPPDKIX-UHFFFAOYSA-N -1 0 364.449 -0.074 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)CO)o1 ZINC000348345952 484141944 /nfs/dbraw/zinc/14/19/44/484141944.db2.gz LOCBDROVHXEEIR-SECBINFHSA-N -1 0 355.438 -0.243 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CO)o1 ZINC000348345957 484142244 /nfs/dbraw/zinc/14/22/44/484142244.db2.gz LOCBDROVHXEEIR-VIFPVBQESA-N -1 0 355.438 -0.243 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOC2)nn1C ZINC000348346002 485161764 /nfs/dbraw/zinc/16/17/64/485161764.db2.gz LRMZZEHOJGLINM-UHFFFAOYSA-N -1 0 367.453 -0.735 20 0 FBADRM COc1cncnc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCOC1 ZINC000348346029 484142231 /nfs/dbraw/zinc/14/22/31/484142231.db2.gz LUSWSSDIHPCIRL-UHFFFAOYSA-N -1 0 366.421 -0.764 20 0 FBADRM COc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)nn1 ZINC000348346680 484140745 /nfs/dbraw/zinc/14/07/45/484140745.db2.gz MBBFTOFLZVNZKT-UHFFFAOYSA-N -1 0 366.421 -0.764 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(CO)C2)o1 ZINC000348346791 484517969 /nfs/dbraw/zinc/51/79/69/484517969.db2.gz MEQKUWOIPYOZOU-UHFFFAOYSA-N -1 0 367.449 -0.241 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCC[C@H]1CCO)[N-]c1nc[nH]n1 ZINC000348346852 484141488 /nfs/dbraw/zinc/14/14/88/484141488.db2.gz MLCWJURGKHVSCD-JTQLQIEISA-N -1 0 367.453 -0.887 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCC[C@@H]1CCO)[N-]c1nc[nH]n1 ZINC000348346853 484141700 /nfs/dbraw/zinc/14/17/00/484141700.db2.gz MLCWJURGKHVSCD-SNVBAGLBSA-N -1 0 367.453 -0.887 20 0 FBADRM C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000348346878 484141217 /nfs/dbraw/zinc/14/12/17/484141217.db2.gz MPFALWJEBIOAEJ-SECBINFHSA-N -1 0 369.494 -0.296 20 0 FBADRM C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000348346879 484141259 /nfs/dbraw/zinc/14/12/59/484141259.db2.gz MPFALWJEBIOAEJ-VIFPVBQESA-N -1 0 369.494 -0.296 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](F)C2)nnn1C ZINC000348346880 483950586 /nfs/dbraw/zinc/95/05/86/483950586.db2.gz MPICPEZJYBDJTR-JTQLQIEISA-N -1 0 369.444 -0.371 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](F)C2)nnn1C ZINC000348347707 483950716 /nfs/dbraw/zinc/95/07/16/483950716.db2.gz MPICPEZJYBDJTR-SNVBAGLBSA-N -1 0 369.444 -0.371 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1C[C@@H](F)[C@@H](F)C1)[N-]c1nc[nH]n1 ZINC000348347719 484140914 /nfs/dbraw/zinc/14/09/14/484140914.db2.gz MRMYITBOBVESFJ-OCAPTIKFSA-N -1 0 359.380 -0.742 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CC[C@H](F)C1)[N-]c1ncccn1 ZINC000348348798 485161271 /nfs/dbraw/zinc/16/12/71/485161271.db2.gz NONNRZGEHLPSBG-JTQLQIEISA-N -1 0 352.413 -0.018 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CC[C@@H](F)C1)[N-]c1ncccn1 ZINC000348348809 485161414 /nfs/dbraw/zinc/16/14/14/485161414.db2.gz NONNRZGEHLPSBG-SNVBAGLBSA-N -1 0 352.413 -0.018 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)CCCO1 ZINC000348350065 484141898 /nfs/dbraw/zinc/14/18/98/484141898.db2.gz OIVLYZMCZQTPKW-JTQLQIEISA-N -1 0 367.453 -0.623 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)CCCO1 ZINC000348350067 484141511 /nfs/dbraw/zinc/14/15/11/484141511.db2.gz OIVLYZMCZQTPKW-SNVBAGLBSA-N -1 0 367.453 -0.623 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](O)C[C@@H]2C)o1 ZINC000348350096 484141027 /nfs/dbraw/zinc/14/10/27/484141027.db2.gz ONHUEFPCOWHWEA-GXSJLCMTSA-N -1 0 367.449 -0.100 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](O)C[C@H]2C)o1 ZINC000348350097 484141190 /nfs/dbraw/zinc/14/11/90/484141190.db2.gz ONHUEFPCOWHWEA-KOLCDFICSA-N -1 0 367.449 -0.100 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](O)C[C@H]2C)o1 ZINC000348350099 484141536 /nfs/dbraw/zinc/14/15/36/484141536.db2.gz ONHUEFPCOWHWEA-MWLCHTKSSA-N -1 0 367.449 -0.100 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](O)C[C@@H]2C)o1 ZINC000348350100 484142208 /nfs/dbraw/zinc/14/22/08/484142208.db2.gz ONHUEFPCOWHWEA-ONGXEEELSA-N -1 0 367.449 -0.100 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)nc1 ZINC000348351934 660037127 /nfs/dbraw/zinc/03/71/27/660037127.db2.gz PTQDLVXKXGKTQQ-UHFFFAOYSA-N -1 0 350.422 -0.464 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2CO)o1 ZINC000348351951 484142256 /nfs/dbraw/zinc/14/22/56/484142256.db2.gz PWTDVLXKWIWNOV-LLVKDONJSA-N -1 0 367.449 -0.099 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2CO)o1 ZINC000348351952 484519790 /nfs/dbraw/zinc/51/97/90/484519790.db2.gz PWTDVLXKWIWNOV-NSHDSACASA-N -1 0 367.449 -0.099 20 0 FBADRM CC1=CCCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cn(C)nn2)C1 ZINC000348352086 484519919 /nfs/dbraw/zinc/51/99/19/484519919.db2.gz QMAGVIWISOUMDH-UHFFFAOYSA-N -1 0 363.465 -0.071 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCCOCC1)[N-]c1ccon1 ZINC000348352797 484141299 /nfs/dbraw/zinc/14/12/99/484141299.db2.gz QSXLMVLDENFRHY-UHFFFAOYSA-N -1 0 353.422 -0.142 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@@H](C)O)o1 ZINC000348353004 484140929 /nfs/dbraw/zinc/14/09/29/484140929.db2.gz RAQMYKVRTWXNBW-SECBINFHSA-N -1 0 355.438 -0.243 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@H](C)O)o1 ZINC000348353005 485161330 /nfs/dbraw/zinc/16/13/30/485161330.db2.gz RAQMYKVRTWXNBW-VIFPVBQESA-N -1 0 355.438 -0.243 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1C[C@H](O)C2(CC2)C1)[N-]c1ccon1 ZINC000348353413 484141318 /nfs/dbraw/zinc/14/13/18/484141318.db2.gz RDEYDJCUCGKULR-JTQLQIEISA-N -1 0 365.433 -0.407 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1C[C@@H](O)C2(CC2)C1)[N-]c1ccon1 ZINC000348353414 484142120 /nfs/dbraw/zinc/14/21/20/484142120.db2.gz RDEYDJCUCGKULR-SNVBAGLBSA-N -1 0 365.433 -0.407 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C[C@H]1O ZINC000348353541 485161103 /nfs/dbraw/zinc/16/11/03/485161103.db2.gz RNDJUTZMMMBUHQ-NXEZZACHSA-N -1 0 353.422 -0.551 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C[C@@H]1O ZINC000348353542 485161753 /nfs/dbraw/zinc/16/17/53/485161753.db2.gz RNDJUTZMMMBUHQ-UWVGGRQHSA-N -1 0 353.422 -0.551 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C[C@H]1O ZINC000348353543 485161546 /nfs/dbraw/zinc/16/15/46/485161546.db2.gz RNDJUTZMMMBUHQ-VHSXEESVSA-N -1 0 353.422 -0.551 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C[C@@H]1O ZINC000348353544 485161513 /nfs/dbraw/zinc/16/15/13/485161513.db2.gz RNDJUTZMMMBUHQ-ZJUUUORDSA-N -1 0 353.422 -0.551 20 0 FBADRM CN(CC(F)F)S(=O)(=O)CCCS(=O)(=O)[N-]c1cn(C)nn1 ZINC000348353988 484519121 /nfs/dbraw/zinc/51/91/21/484519121.db2.gz SCMVCQUMQPTVQK-UHFFFAOYSA-N -1 0 361.396 -0.526 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)CO)nc1 ZINC000348354709 659891830 /nfs/dbraw/zinc/89/18/30/659891830.db2.gz SRXFMBBHMXMSHY-LLVKDONJSA-N -1 0 366.465 -0.441 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CO)nc1 ZINC000348354710 660037379 /nfs/dbraw/zinc/03/73/79/660037379.db2.gz SRXFMBBHMXMSHY-NSHDSACASA-N -1 0 366.465 -0.441 20 0 FBADRM CC(C)N(C1COC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000348356392 484142027 /nfs/dbraw/zinc/14/20/27/484142027.db2.gz VCQQRXLLNSTJNP-UHFFFAOYSA-N -1 0 367.453 -0.625 20 0 FBADRM C[C@@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000348356959 484140942 /nfs/dbraw/zinc/14/09/42/484140942.db2.gz VYLSWPMQNKRJLZ-JTQLQIEISA-N -1 0 352.438 -0.749 20 0 FBADRM C[C@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000348356960 484141887 /nfs/dbraw/zinc/14/18/87/484141887.db2.gz VYLSWPMQNKRJLZ-SNVBAGLBSA-N -1 0 352.438 -0.749 20 0 FBADRM CC[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C[C@H]1O ZINC000348356962 485161713 /nfs/dbraw/zinc/16/17/13/485161713.db2.gz VZKHNOQPNGICNS-GHMZBOCLSA-N -1 0 367.449 -0.161 20 0 FBADRM CC[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C[C@@H]1O ZINC000348356963 485161694 /nfs/dbraw/zinc/16/16/94/485161694.db2.gz VZKHNOQPNGICNS-MNOVXSKESA-N -1 0 367.449 -0.161 20 0 FBADRM CC[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C[C@@H]1O ZINC000348356964 485161902 /nfs/dbraw/zinc/16/19/02/485161902.db2.gz VZKHNOQPNGICNS-QWRGUYRKSA-N -1 0 367.449 -0.161 20 0 FBADRM CC[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C[C@H]1O ZINC000348356965 485161619 /nfs/dbraw/zinc/16/16/19/485161619.db2.gz VZKHNOQPNGICNS-WDEREUQCSA-N -1 0 367.449 -0.161 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC=C(F)C2)n1 ZINC000348356970 484520172 /nfs/dbraw/zinc/52/01/72/484520172.db2.gz VZSKEHAWGSBGMX-UHFFFAOYSA-N -1 0 367.428 -0.164 20 0 FBADRM CN([C@@H]1CCC[C@H]1O)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000348358210 484142160 /nfs/dbraw/zinc/14/21/60/484142160.db2.gz YEDPSSHPTCBNNT-NXEZZACHSA-N -1 0 367.453 -0.889 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)n[nH]1 ZINC000348359014 484520029 /nfs/dbraw/zinc/52/00/29/484520029.db2.gz ZBRJORMZWHTAGX-UHFFFAOYSA-N -1 0 353.426 -0.882 20 0 FBADRM COc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)ncn1 ZINC000348359044 484141745 /nfs/dbraw/zinc/14/17/45/484141745.db2.gz ZFXUSCTZRNLSPY-UHFFFAOYSA-N -1 0 366.421 -0.764 20 0 FBADRM CO[C@H]1C[C@@H](N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000348359060 484140802 /nfs/dbraw/zinc/14/08/02/484140802.db2.gz ZIPSTTILJAFHRL-AOOOYVTPSA-N -1 0 367.453 -0.625 20 0 FBADRM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)n1 ZINC000348359448 484141725 /nfs/dbraw/zinc/14/17/25/484141725.db2.gz ZXRKAVSGWJZDOE-UHFFFAOYSA-N -1 0 350.422 -0.464 20 0 FBADRM C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ncn(C)n2)CO1 ZINC000348363888 484519239 /nfs/dbraw/zinc/51/92/39/484519239.db2.gz AQFHGKHFWHSQPV-NXEZZACHSA-N -1 0 367.453 -0.956 20 0 FBADRM C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ncn(C)n2)CO1 ZINC000348363902 484519135 /nfs/dbraw/zinc/51/91/35/484519135.db2.gz AQFHGKHFWHSQPV-UWVGGRQHSA-N -1 0 367.453 -0.956 20 0 FBADRM C[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ncn(C)n2)CO1 ZINC000348363909 484519854 /nfs/dbraw/zinc/51/98/54/484519854.db2.gz AQFHGKHFWHSQPV-VHSXEESVSA-N -1 0 367.453 -0.956 20 0 FBADRM C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ncn(C)n2)CO1 ZINC000348363917 484520655 /nfs/dbraw/zinc/52/06/55/484520655.db2.gz AQFHGKHFWHSQPV-ZJUUUORDSA-N -1 0 367.453 -0.956 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@@H](F)C2)nn1 ZINC000348365297 484142052 /nfs/dbraw/zinc/14/20/52/484142052.db2.gz AWVOUFPMQQPIHN-NXEZZACHSA-N -1 0 369.444 -0.243 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CC[C@H](F)C2)nn1 ZINC000348365298 484142136 /nfs/dbraw/zinc/14/21/36/484142136.db2.gz AWVOUFPMQQPIHN-UWVGGRQHSA-N -1 0 369.444 -0.243 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H](F)C2)nn1 ZINC000348365299 484142148 /nfs/dbraw/zinc/14/21/48/484142148.db2.gz AWVOUFPMQQPIHN-VHSXEESVSA-N -1 0 369.444 -0.243 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CC[C@@H](F)C2)nn1 ZINC000348365300 484142106 /nfs/dbraw/zinc/14/21/06/484142106.db2.gz AWVOUFPMQQPIHN-ZJUUUORDSA-N -1 0 369.444 -0.243 20 0 FBADRM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)n1 ZINC000348365445 484142220 /nfs/dbraw/zinc/14/22/20/484142220.db2.gz BGIZVPAPVQFRAT-NSHDSACASA-N -1 0 364.449 -0.687 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@H]1CCCOC1)[N-]c1ccon1 ZINC000348365504 484141860 /nfs/dbraw/zinc/14/18/60/484141860.db2.gz BJYRNSJCWCZJIR-JTQLQIEISA-N -1 0 353.422 -0.095 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCCOC1)[N-]c1ccon1 ZINC000348365509 484141839 /nfs/dbraw/zinc/14/18/39/484141839.db2.gz BJYRNSJCWCZJIR-SNVBAGLBSA-N -1 0 353.422 -0.095 20 0 FBADRM C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)CO1 ZINC000348367004 484141806 /nfs/dbraw/zinc/14/18/06/484141806.db2.gz BXOXKCMBWZGXJE-NXEZZACHSA-N -1 0 353.422 -0.097 20 0 FBADRM C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)CO1 ZINC000348367006 484141577 /nfs/dbraw/zinc/14/15/77/484141577.db2.gz BXOXKCMBWZGXJE-UWVGGRQHSA-N -1 0 353.422 -0.097 20 0 FBADRM C[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)CO1 ZINC000348367007 484140721 /nfs/dbraw/zinc/14/07/21/484140721.db2.gz BXOXKCMBWZGXJE-VHSXEESVSA-N -1 0 353.422 -0.097 20 0 FBADRM C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)CO1 ZINC000348367009 484140997 /nfs/dbraw/zinc/14/09/97/484140997.db2.gz BXOXKCMBWZGXJE-ZJUUUORDSA-N -1 0 353.422 -0.097 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@H]1CC[C@@H](F)C1)[N-]c1nc[nH]n1 ZINC000348368850 484141646 /nfs/dbraw/zinc/14/16/46/484141646.db2.gz CFXVHFUZWSSGSL-BDAKNGLRSA-N -1 0 355.417 -0.254 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CC[C@H](F)C1)[N-]c1nc[nH]n1 ZINC000348368851 484141821 /nfs/dbraw/zinc/14/18/21/484141821.db2.gz CFXVHFUZWSSGSL-DTWKUNHWSA-N -1 0 355.417 -0.254 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@H]1CC[C@H](F)C1)[N-]c1nc[nH]n1 ZINC000348368852 484141778 /nfs/dbraw/zinc/14/17/78/484141778.db2.gz CFXVHFUZWSSGSL-IUCAKERBSA-N -1 0 355.417 -0.254 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CC[C@@H](F)C1)[N-]c1nc[nH]n1 ZINC000348368853 484141968 /nfs/dbraw/zinc/14/19/68/484141968.db2.gz CFXVHFUZWSSGSL-RKDXNWHRSA-N -1 0 355.417 -0.254 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)CCO)nc1 ZINC000348368869 660037344 /nfs/dbraw/zinc/03/73/44/660037344.db2.gz CJHYIGDSKJACMC-UHFFFAOYSA-N -1 0 352.438 -0.829 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CO[C@H](C)C2)no1 ZINC000348369000 484518311 /nfs/dbraw/zinc/51/83/11/484518311.db2.gz CPSOSXPSYNYSOE-PSASIEDQSA-N -1 0 368.437 -0.393 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CO[C@H](C)C2)no1 ZINC000348369011 484518451 /nfs/dbraw/zinc/51/84/51/484518451.db2.gz CPSOSXPSYNYSOE-SCZZXKLOSA-N -1 0 368.437 -0.393 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CO[C@@H](C)C2)no1 ZINC000348369023 484518328 /nfs/dbraw/zinc/51/83/28/484518328.db2.gz CPSOSXPSYNYSOE-WCBMZHEXSA-N -1 0 368.437 -0.393 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CO[C@@H](C)C2)no1 ZINC000348369028 484518390 /nfs/dbraw/zinc/51/83/90/484518390.db2.gz CPSOSXPSYNYSOE-WPRPVWTQSA-N -1 0 368.437 -0.393 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)o1 ZINC000348370597 484141199 /nfs/dbraw/zinc/14/11/99/484141199.db2.gz DANJSMURGAERNA-NXEZZACHSA-N -1 0 353.422 -0.442 20 0 FBADRM CC1(F)CC(NS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000348373448 484141242 /nfs/dbraw/zinc/14/12/42/484141242.db2.gz FEWURVQHTDPWRY-UHFFFAOYSA-N -1 0 355.417 -0.254 20 0 FBADRM CCc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)o1 ZINC000348374587 485163236 /nfs/dbraw/zinc/16/32/36/485163236.db2.gz FSSOUXYODNMIEZ-JTQLQIEISA-N -1 0 367.449 -0.235 20 0 FBADRM C[C@]1(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)CCOC1 ZINC000348374619 484141555 /nfs/dbraw/zinc/14/15/55/484141555.db2.gz FUDLSAWWOJVHON-LLVKDONJSA-N -1 0 367.453 -0.718 20 0 FBADRM C[C@@]1(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)CCOC1 ZINC000348374624 484141062 /nfs/dbraw/zinc/14/10/62/484141062.db2.gz FUDLSAWWOJVHON-NSHDSACASA-N -1 0 367.453 -0.718 20 0 FBADRM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)n1 ZINC000348374742 485162862 /nfs/dbraw/zinc/16/28/62/485162862.db2.gz FXNLDPLAXMIBPQ-LLVKDONJSA-N -1 0 364.449 -0.375 20 0 FBADRM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)n1 ZINC000348374744 485162808 /nfs/dbraw/zinc/16/28/08/485162808.db2.gz FXNLDPLAXMIBPQ-NSHDSACASA-N -1 0 364.449 -0.375 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)o1 ZINC000348375766 484522601 /nfs/dbraw/zinc/52/26/01/484522601.db2.gz GMHPXTAIWLJRKB-JTQLQIEISA-N -1 0 353.422 -0.489 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCSCC2)nn1 ZINC000348375982 484142199 /nfs/dbraw/zinc/14/21/99/484142199.db2.gz HAAMIRQUTLCZPK-UHFFFAOYSA-N -1 0 369.494 -0.675 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)o1 ZINC000348377014 485165045 /nfs/dbraw/zinc/16/50/45/485165045.db2.gz HFUHXDAMQOYOSG-JTQLQIEISA-N -1 0 353.422 -0.177 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)o1 ZINC000348377017 485165755 /nfs/dbraw/zinc/16/57/55/485165755.db2.gz HFUHXDAMQOYOSG-SNVBAGLBSA-N -1 0 353.422 -0.177 20 0 FBADRM CO[C@@H]1CC[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000348379196 484522224 /nfs/dbraw/zinc/52/22/24/484522224.db2.gz IQGKZXDTNLTCQV-NXEZZACHSA-N -1 0 367.453 -0.577 20 0 FBADRM CO[C@H]1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000348379208 484522247 /nfs/dbraw/zinc/52/22/47/484522247.db2.gz IQGKZXDTNLTCQV-UWVGGRQHSA-N -1 0 367.453 -0.577 20 0 FBADRM CO[C@@H]1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000348379216 484522132 /nfs/dbraw/zinc/52/21/32/484522132.db2.gz IQGKZXDTNLTCQV-VHSXEESVSA-N -1 0 367.453 -0.577 20 0 FBADRM CO[C@H]1CC[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000348379226 484522543 /nfs/dbraw/zinc/52/25/43/484522543.db2.gz IQGKZXDTNLTCQV-ZJUUUORDSA-N -1 0 367.453 -0.577 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)nc1 ZINC000348379269 660037567 /nfs/dbraw/zinc/03/75/67/660037567.db2.gz ISGVRTZODPDWBX-GHMZBOCLSA-N -1 0 364.449 -0.640 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2[C@@H]3COC[C@@H]32)o1 ZINC000348379539 484141764 /nfs/dbraw/zinc/14/17/64/484141764.db2.gz JCZZZLITBJYKDL-URLYPYJESA-N -1 0 365.433 -0.321 20 0 FBADRM CO[C@@H]1COC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000348379569 484141119 /nfs/dbraw/zinc/14/11/19/484141119.db2.gz JHONHEDRINYBAV-NXEZZACHSA-N -1 0 369.421 -0.860 20 0 FBADRM CO[C@@H]1COC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000348379570 484522289 /nfs/dbraw/zinc/52/22/89/484522289.db2.gz JHONHEDRINYBAV-VHSXEESVSA-N -1 0 369.421 -0.860 20 0 FBADRM CC1(C)SC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000348382073 484521981 /nfs/dbraw/zinc/52/19/81/484521981.db2.gz KRFMKHYMUSXIMU-MRVPVSSYSA-N -1 0 369.494 -0.250 20 0 FBADRM CC1(C)SC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000348382077 484522320 /nfs/dbraw/zinc/52/23/20/484522320.db2.gz KRFMKHYMUSXIMU-QMMMGPOBSA-N -1 0 369.494 -0.250 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC=CCC2)nn1 ZINC000348382932 484142093 /nfs/dbraw/zinc/14/20/93/484142093.db2.gz KXKXZBGRPYDHNI-LLVKDONJSA-N -1 0 363.465 -0.025 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CC=CCC2)nn1 ZINC000348382941 484141400 /nfs/dbraw/zinc/14/14/00/484141400.db2.gz KXKXZBGRPYDHNI-NSHDSACASA-N -1 0 363.465 -0.025 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@@H]2F)nn1 ZINC000348383193 484522276 /nfs/dbraw/zinc/52/22/76/484522276.db2.gz LQAGNVXTUHSJHJ-VHSXEESVSA-N -1 0 369.444 -0.243 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCC[C@H]2F)nn1 ZINC000348383196 485163981 /nfs/dbraw/zinc/16/39/81/485163981.db2.gz LQAGNVXTUHSJHJ-ZJUUUORDSA-N -1 0 369.444 -0.243 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCCOC2)nn1 ZINC000348383237 484522192 /nfs/dbraw/zinc/52/21/92/484522192.db2.gz LRFJEPCGQVLFFD-JTQLQIEISA-N -1 0 367.453 -0.955 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCCOC2)nn1 ZINC000348383251 484141176 /nfs/dbraw/zinc/14/11/76/484141176.db2.gz LRFJEPCGQVLFFD-SNVBAGLBSA-N -1 0 367.453 -0.955 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCN(C)CC2)o1 ZINC000348384353 484142001 /nfs/dbraw/zinc/14/20/01/484142001.db2.gz MBAJKTOKJLLLBR-UHFFFAOYSA-N -1 0 366.465 -0.308 20 0 FBADRM CNC(=O)[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C)o1 ZINC000348385135 484523628 /nfs/dbraw/zinc/52/36/28/484523628.db2.gz MMZNSLXYZBJYEZ-SECBINFHSA-N -1 0 368.437 -0.831 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@H]2O)o1 ZINC000348385170 484141670 /nfs/dbraw/zinc/14/16/70/484141670.db2.gz MRKTVAHIAZRBGO-GHMZBOCLSA-N -1 0 367.449 -0.052 20 0 FBADRM CNC(=O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C)o1 ZINC000348385202 484141043 /nfs/dbraw/zinc/14/10/43/484141043.db2.gz MVWXULYCOHIARE-UHFFFAOYSA-N -1 0 368.437 -0.878 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@H]1[C@@H]2COC[C@@H]21)[N-]c1ccon1 ZINC000348385308 484142018 /nfs/dbraw/zinc/14/20/18/484142018.db2.gz NFWJKXHLWZFWHU-JZYVYDRUSA-N -1 0 351.406 -0.629 20 0 FBADRM CC(C)=CCNS(=O)(=O)CCCS(=O)(=O)[N-]c1cn(C)nn1 ZINC000348385347 484141959 /nfs/dbraw/zinc/14/19/59/484141959.db2.gz NINLTYGCNUPEDD-UHFFFAOYSA-N -1 0 351.454 -0.168 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)NC2(C(F)F)CC2)nn1 ZINC000348385351 484140652 /nfs/dbraw/zinc/14/06/52/484140652.db2.gz NJEDDDPDFOIUMM-UHFFFAOYSA-N -1 0 373.407 -0.336 20 0 FBADRM CC(C)[C@@H]1C[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000348386162 484140966 /nfs/dbraw/zinc/14/09/66/484140966.db2.gz NXCADJDVVRHQRS-VHSXEESVSA-N -1 0 351.454 -0.100 20 0 FBADRM CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(OC)cn1 ZINC000348386905 484141141 /nfs/dbraw/zinc/14/11/41/484141141.db2.gz OVKXTDAXTOKUTC-UHFFFAOYSA-N -1 0 352.438 -0.102 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C(C)C)nnn1C ZINC000348387184 484141623 /nfs/dbraw/zinc/14/16/23/484141623.db2.gz PCYKGPHNAUTOID-UHFFFAOYSA-N -1 0 353.470 -0.075 20 0 FBADRM C[C@H]1SCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000348387938 484523589 /nfs/dbraw/zinc/52/35/89/484523589.db2.gz PIROZJWXDIZULA-BDAKNGLRSA-N -1 0 369.494 -0.250 20 0 FBADRM C[C@@H]1SCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000348387939 484523179 /nfs/dbraw/zinc/52/31/79/484523179.db2.gz PIROZJWXDIZULA-DTWKUNHWSA-N -1 0 369.494 -0.250 20 0 FBADRM C[C@@H]1SCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000348387942 484523895 /nfs/dbraw/zinc/52/38/95/484523895.db2.gz PIROZJWXDIZULA-IUCAKERBSA-N -1 0 369.494 -0.250 20 0 FBADRM C[C@H]1SCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000348387945 484523555 /nfs/dbraw/zinc/52/35/55/484523555.db2.gz PIROZJWXDIZULA-RKDXNWHRSA-N -1 0 369.494 -0.250 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@H]1CCCS1)[N-]c1nc[nH]n1 ZINC000348387949 484524051 /nfs/dbraw/zinc/52/40/51/484524051.db2.gz PISNJKQXUSKPDI-SECBINFHSA-N -1 0 369.494 -0.249 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@@H]1CCCS1)[N-]c1nc[nH]n1 ZINC000348387952 484524071 /nfs/dbraw/zinc/52/40/71/484524071.db2.gz PISNJKQXUSKPDI-VIFPVBQESA-N -1 0 369.494 -0.249 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCC(F)(F)C1)[N-]c1nc[nH]n1 ZINC000348388027 484141341 /nfs/dbraw/zinc/14/13/41/484141341.db2.gz PSASRUNSESDHMV-UHFFFAOYSA-N -1 0 359.380 -0.393 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCSC1)[N-]c1nc[nH]n1 ZINC000348388775 484143581 /nfs/dbraw/zinc/14/35/81/484143581.db2.gz QGAMMYZWSPKYPB-MRVPVSSYSA-N -1 0 355.467 -0.639 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@H]1CCSC1)[N-]c1nc[nH]n1 ZINC000348388776 484143790 /nfs/dbraw/zinc/14/37/90/484143790.db2.gz QGAMMYZWSPKYPB-QMMMGPOBSA-N -1 0 355.467 -0.639 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC1(CF)CCC1)[N-]c1nc[nH]n1 ZINC000348388820 484143610 /nfs/dbraw/zinc/14/36/10/484143610.db2.gz QKUNACCQHTVKMA-UHFFFAOYSA-N -1 0 355.417 -0.252 20 0 FBADRM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)n1 ZINC000348389372 484142867 /nfs/dbraw/zinc/14/28/67/484142867.db2.gz RGUFFDDTXGNWIA-GHMZBOCLSA-N -1 0 364.449 -0.640 20 0 FBADRM Cn1ccc(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)c1 ZINC000348389378 484143409 /nfs/dbraw/zinc/14/34/09/484143409.db2.gz RHJNGZMJBGBBGB-UHFFFAOYSA-N -1 0 362.437 -0.605 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NCC1CC(F)(F)C1)[N-]c1nc[nH]n1 ZINC000348389963 485164476 /nfs/dbraw/zinc/16/44/76/485164476.db2.gz RWDWGFJQLXAJJL-UHFFFAOYSA-N -1 0 373.407 -0.099 20 0 FBADRM CO[C@@H]1CCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000348389980 484143953 /nfs/dbraw/zinc/14/39/53/484143953.db2.gz RWZKQJUWPAAACD-NXEZZACHSA-N -1 0 367.453 -0.577 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2C[C@@](C)(O)C2)o1 ZINC000348391990 484523512 /nfs/dbraw/zinc/52/35/12/484523512.db2.gz UNLDFJLDIXCYPM-KLPPZKSPSA-N -1 0 367.449 -0.052 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@H]1CCC[C@H]1F)[N-]c1nc[nH]n1 ZINC000348392777 484143979 /nfs/dbraw/zinc/14/39/79/484143979.db2.gz UUPDCCFKBGRRQL-BDAKNGLRSA-N -1 0 355.417 -0.254 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCC[C@@H]1F)[N-]c1nc[nH]n1 ZINC000348392783 484143079 /nfs/dbraw/zinc/14/30/79/484143079.db2.gz UUPDCCFKBGRRQL-DTWKUNHWSA-N -1 0 355.417 -0.254 20 0 FBADRM C[C@]1(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)CCCO1 ZINC000348393097 484143938 /nfs/dbraw/zinc/14/39/38/484143938.db2.gz VBCQQUJFVGQFHI-LLVKDONJSA-N -1 0 367.453 -0.575 20 0 FBADRM C[C@@]1(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)CCCO1 ZINC000348393103 484143845 /nfs/dbraw/zinc/14/38/45/484143845.db2.gz VBCQQUJFVGQFHI-NSHDSACASA-N -1 0 367.453 -0.575 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCCOC1)[N-]c1nc[nH]n1 ZINC000348393108 484524137 /nfs/dbraw/zinc/52/41/37/484524137.db2.gz VBLQGMPSOLQLPQ-SECBINFHSA-N -1 0 353.426 -0.965 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@H]1CCCOC1)[N-]c1nc[nH]n1 ZINC000348393113 484142665 /nfs/dbraw/zinc/14/26/65/484142665.db2.gz VBLQGMPSOLQLPQ-VIFPVBQESA-N -1 0 353.426 -0.965 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CC[C@H]1O)[N-]c1ncccn1 ZINC000348395312 484144018 /nfs/dbraw/zinc/14/40/18/484144018.db2.gz WBLDSBHSXBNOJD-NXEZZACHSA-N -1 0 350.422 -0.949 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C=CCCC2)nn1 ZINC000348395413 484143635 /nfs/dbraw/zinc/14/36/35/484143635.db2.gz WFQNROQJZVTTKT-LLVKDONJSA-N -1 0 363.465 -0.025 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2C=CCCC2)nn1 ZINC000348395414 484142544 /nfs/dbraw/zinc/14/25/44/484142544.db2.gz WFQNROQJZVTTKT-NSHDSACASA-N -1 0 363.465 -0.025 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCSC2)nn1 ZINC000348396228 484523783 /nfs/dbraw/zinc/52/37/83/484523783.db2.gz WJESQEJLVFTREQ-SECBINFHSA-N -1 0 369.494 -0.628 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCSC2)nn1 ZINC000348396237 484524123 /nfs/dbraw/zinc/52/41/23/484524123.db2.gz WJESQEJLVFTREQ-VIFPVBQESA-N -1 0 369.494 -0.628 20 0 FBADRM C[C@@H]1CSC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000348396330 484143534 /nfs/dbraw/zinc/14/35/34/484143534.db2.gz WMBIQWFKQIEAKO-BDAKNGLRSA-N -1 0 369.494 -0.393 20 0 FBADRM C[C@H]1CSC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000348396335 484143116 /nfs/dbraw/zinc/14/31/16/484143116.db2.gz WMBIQWFKQIEAKO-DTWKUNHWSA-N -1 0 369.494 -0.393 20 0 FBADRM C[C@H]1CSC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000348396344 484143016 /nfs/dbraw/zinc/14/30/16/484143016.db2.gz WMBIQWFKQIEAKO-IUCAKERBSA-N -1 0 369.494 -0.393 20 0 FBADRM C[C@@H]1CSC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000348396350 484143179 /nfs/dbraw/zinc/14/31/79/484143179.db2.gz WMBIQWFKQIEAKO-RKDXNWHRSA-N -1 0 369.494 -0.393 20 0 FBADRM CC(C)(O)C(C)(C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000348396443 484143858 /nfs/dbraw/zinc/14/38/58/484143858.db2.gz WUGFBEOLIRNFAN-UHFFFAOYSA-N -1 0 369.469 -0.595 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCCOC1)[N-]c1ncccn1 ZINC000348397633 484142927 /nfs/dbraw/zinc/14/29/27/484142927.db2.gz XRCCZBRFNHWLIN-LLVKDONJSA-N -1 0 364.449 -0.293 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@H]1CCCOC1)[N-]c1ncccn1 ZINC000348397634 484142746 /nfs/dbraw/zinc/14/27/46/484142746.db2.gz XRCCZBRFNHWLIN-NSHDSACASA-N -1 0 364.449 -0.293 20 0 FBADRM C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)CS1 ZINC000348398690 484143667 /nfs/dbraw/zinc/14/36/67/484143667.db2.gz YAVMIPNTCNGXRM-BDAKNGLRSA-N -1 0 369.494 -0.250 20 0 FBADRM C[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)CS1 ZINC000348398691 484143098 /nfs/dbraw/zinc/14/30/98/484143098.db2.gz YAVMIPNTCNGXRM-DTWKUNHWSA-N -1 0 369.494 -0.250 20 0 FBADRM C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)CS1 ZINC000348398692 484143199 /nfs/dbraw/zinc/14/31/99/484143199.db2.gz YAVMIPNTCNGXRM-IUCAKERBSA-N -1 0 369.494 -0.250 20 0 FBADRM C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)CS1 ZINC000348398693 484144055 /nfs/dbraw/zinc/14/40/55/484144055.db2.gz YAVMIPNTCNGXRM-RKDXNWHRSA-N -1 0 369.494 -0.250 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1C=C[C@H](CO)C1)[N-]c1ccon1 ZINC000348398842 484524093 /nfs/dbraw/zinc/52/40/93/484524093.db2.gz YKAWFZAVIJPDAM-WDEREUQCSA-N -1 0 365.433 -0.337 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)NC2CC=CC2)nnn1C ZINC000348400482 483954579 /nfs/dbraw/zinc/95/45/79/483954579.db2.gz ZEVANABBXGOJNF-UHFFFAOYSA-N -1 0 363.465 -0.107 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@H]1COCCO1)[N-]c1ccon1 ZINC000348401812 484143289 /nfs/dbraw/zinc/14/32/89/484143289.db2.gz ZLDJXSSGHMXLNH-JTQLQIEISA-N -1 0 369.421 -0.859 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@@H]1COCCO1)[N-]c1ccon1 ZINC000348401832 484143758 /nfs/dbraw/zinc/14/37/58/484143758.db2.gz ZLDJXSSGHMXLNH-SNVBAGLBSA-N -1 0 369.421 -0.859 20 0 FBADRM CCc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)o1 ZINC000348402138 660037839 /nfs/dbraw/zinc/03/78/39/660037839.db2.gz ZUXFKWKYIOVTGR-GHMZBOCLSA-N -1 0 367.449 -0.189 20 0 FBADRM C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cn(C)nn2)CO1 ZINC000348402197 484523524 /nfs/dbraw/zinc/52/35/24/484523524.db2.gz ZYAJUHNQSVWVQK-NXEZZACHSA-N -1 0 367.453 -0.956 20 0 FBADRM C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cn(C)nn2)CO1 ZINC000348402200 484523128 /nfs/dbraw/zinc/52/31/28/484523128.db2.gz ZYAJUHNQSVWVQK-UWVGGRQHSA-N -1 0 367.453 -0.956 20 0 FBADRM C[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cn(C)nn2)CO1 ZINC000348402204 484523311 /nfs/dbraw/zinc/52/33/11/484523311.db2.gz ZYAJUHNQSVWVQK-VHSXEESVSA-N -1 0 367.453 -0.956 20 0 FBADRM C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cn(C)nn2)CO1 ZINC000348402207 484523492 /nfs/dbraw/zinc/52/34/92/484523492.db2.gz ZYAJUHNQSVWVQK-ZJUUUORDSA-N -1 0 367.453 -0.956 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCCO2)nn1 ZINC000348441403 484142910 /nfs/dbraw/zinc/14/29/10/484142910.db2.gz BUBNFIDCYGAQRG-JTQLQIEISA-N -1 0 367.453 -0.955 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCCO2)nn1 ZINC000348441404 484143138 /nfs/dbraw/zinc/14/31/38/484143138.db2.gz BUBNFIDCYGAQRG-SNVBAGLBSA-N -1 0 367.453 -0.955 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C)(O)C2)o1 ZINC000348441548 484528596 /nfs/dbraw/zinc/52/85/96/484528596.db2.gz CBHYXJRLRGBXJB-UHFFFAOYSA-N -1 0 367.449 -0.099 20 0 FBADRM CC[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nnn(C)c1C ZINC000348463804 484143769 /nfs/dbraw/zinc/14/37/69/484143769.db2.gz FXFJLISRJYVDNE-SECBINFHSA-N -1 0 353.470 -0.027 20 0 FBADRM CC[C@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nnn(C)c1C ZINC000348463805 484144030 /nfs/dbraw/zinc/14/40/30/484144030.db2.gz FXFJLISRJYVDNE-VIFPVBQESA-N -1 0 353.470 -0.027 20 0 FBADRM Cc1ccnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCOC2)n1 ZINC000348465976 484142825 /nfs/dbraw/zinc/14/28/25/484142825.db2.gz HUKCZMPMCOITQN-UHFFFAOYSA-N -1 0 364.449 -0.074 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N1C[C@@H](F)[C@@H](F)C1)[N-]c1nc[nH]n1 ZINC000348467059 484144511 /nfs/dbraw/zinc/14/45/11/484144511.db2.gz IJDNXNFNCSZICE-DTORHVGOSA-N -1 0 373.407 -0.352 20 0 FBADRM COc1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)N(C)C)nc1 ZINC000348469164 484144970 /nfs/dbraw/zinc/14/49/70/484144970.db2.gz JKMWIPDNDBHRCK-UHFFFAOYSA-N -1 0 352.438 -0.102 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCOC2)n[nH]1 ZINC000348469195 484145665 /nfs/dbraw/zinc/14/56/65/484145665.db2.gz JUISVRLQKXVBIE-UHFFFAOYSA-N -1 0 367.453 -0.492 20 0 FBADRM CCN(CC)S(=O)(=O)CCCS(=O)(=O)[N-]c1nnn(C)c1C ZINC000348469672 484145623 /nfs/dbraw/zinc/14/56/23/484145623.db2.gz KGNMTGJQMGZEAQ-UHFFFAOYSA-N -1 0 353.470 -0.073 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCOC2)nc1 ZINC000348469860 660038718 /nfs/dbraw/zinc/03/87/18/660038718.db2.gz KOEMMCFMYKKWRA-UHFFFAOYSA-N -1 0 364.449 -0.074 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)(C)O)o1 ZINC000348471538 484145247 /nfs/dbraw/zinc/14/52/47/484145247.db2.gz LQYUJPTZVWIQGZ-UHFFFAOYSA-N -1 0 355.438 -0.195 20 0 FBADRM COc1cncc([N-]S(=O)(=O)CCCS(=O)(=O)NC2CCC2)n1 ZINC000348471564 484459503 /nfs/dbraw/zinc/45/95/03/484459503.db2.gz LTMTTZIYOSYBLE-UHFFFAOYSA-N -1 0 364.449 0.089 20 0 FBADRM COc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NC(C)C)nc1 ZINC000348472987 484530573 /nfs/dbraw/zinc/53/05/73/484530573.db2.gz NBHQZJVTBNANDV-UHFFFAOYSA-N -1 0 352.438 -0.055 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N1CCOC1)[N-]c1ncccn1 ZINC000348474325 484145466 /nfs/dbraw/zinc/14/54/66/484145466.db2.gz PBZAFARPFYCZEN-UHFFFAOYSA-N -1 0 350.422 -0.382 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(O)CCC2)o1 ZINC000348474338 485175138 /nfs/dbraw/zinc/17/51/38/485175138.db2.gz PEPPNXYVEAMIGH-UHFFFAOYSA-N -1 0 367.449 -0.051 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)NCc2ccoc2)nn1 ZINC000348475010 484529988 /nfs/dbraw/zinc/52/99/88/484529988.db2.gz PKODXFURCQKKGL-UHFFFAOYSA-N -1 0 363.421 -0.341 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)CO)nc1 ZINC000348475084 660039104 /nfs/dbraw/zinc/03/91/04/660039104.db2.gz PNUFUOCMDDIRQK-JTQLQIEISA-N -1 0 352.438 -0.783 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H](C)CO)nc1 ZINC000348475088 660039191 /nfs/dbraw/zinc/03/91/91/660039191.db2.gz PNUFUOCMDDIRQK-SNVBAGLBSA-N -1 0 352.438 -0.783 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N1CC[C@@H](F)C1)[N-]c1nc[nH]n1 ZINC000348475142 485178473 /nfs/dbraw/zinc/17/84/73/485178473.db2.gz PQIMHAFCGYYJOK-SECBINFHSA-N -1 0 355.417 -0.300 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N1CC[C@H](F)C1)[N-]c1nc[nH]n1 ZINC000348475150 485177674 /nfs/dbraw/zinc/17/76/74/485177674.db2.gz PQIMHAFCGYYJOK-VIFPVBQESA-N -1 0 355.417 -0.300 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@@H]1CCCO1)[N-]c1ccon1 ZINC000348477526 484145411 /nfs/dbraw/zinc/14/54/11/484145411.db2.gz RMRDOYVKZSZBAI-JTQLQIEISA-N -1 0 353.422 -0.095 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@H]1CCCO1)[N-]c1ccon1 ZINC000348477527 484144627 /nfs/dbraw/zinc/14/46/27/484144627.db2.gz RMRDOYVKZSZBAI-SNVBAGLBSA-N -1 0 353.422 -0.095 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N[C@@H]1CCSC1)[N-]c1nc[nH]n1 ZINC000348480250 484529791 /nfs/dbraw/zinc/52/97/91/484529791.db2.gz UFYUBIZGJXAGIJ-SECBINFHSA-N -1 0 369.494 -0.249 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N[C@H]1CCSC1)[N-]c1nc[nH]n1 ZINC000348480252 484530419 /nfs/dbraw/zinc/53/04/19/484530419.db2.gz UFYUBIZGJXAGIJ-VIFPVBQESA-N -1 0 369.494 -0.249 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N1CCC(F)(F)C1)[N-]c1nc[nH]n1 ZINC000348480958 484145436 /nfs/dbraw/zinc/14/54/36/484145436.db2.gz VBCOGILFEDRVAC-UHFFFAOYSA-N -1 0 373.407 -0.003 20 0 FBADRM C[C@@]1(O)C[C@H](NS(=O)(=O)CCCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000348487057 484145263 /nfs/dbraw/zinc/14/52/63/484145263.db2.gz ZWULVHCJKZTNRF-JGZJWPJOSA-N -1 0 367.453 -0.841 20 0 FBADRM CCOC(=O)c1[nH]c(=O)n(-c2cccc3c2CCN3S(C)(=O)=O)c1[O-] ZINC000348687199 245039771 /nfs/dbraw/zinc/03/97/71/245039771.db2.gz LEUGFRIFUONOQF-GFCCVEGCSA-N -1 0 367.383 -0.003 20 0 FBADRM CCOC(=O)c1[nH]c(=O)n(-c2cccc3c2CCN3S(C)(=O)=O)c1[O-] ZINC000348687200 245039492 /nfs/dbraw/zinc/03/94/92/245039492.db2.gz LEUGFRIFUONOQF-LBPRGKRZSA-N -1 0 367.383 -0.003 20 0 FBADRM CCOC(=O)c1cn(C)nc1[N-]S(=O)(=O)CCCS(N)(=O)=O ZINC000349443417 484557450 /nfs/dbraw/zinc/55/74/50/484557450.db2.gz ADEIFDOHLVYXGS-UHFFFAOYSA-N -1 0 354.410 -0.983 20 0 FBADRM CCOC(=O)c1csc([N-]S(=O)(=O)CCCS(N)(=O)=O)n1 ZINC000349444088 484558638 /nfs/dbraw/zinc/55/86/38/484558638.db2.gz CFVGCWDNKLLPEX-UHFFFAOYSA-N -1 0 357.435 -0.260 20 0 FBADRM NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc2cc(Cl)ccn2n1 ZINC000349444735 484156715 /nfs/dbraw/zinc/15/67/15/484156715.db2.gz DKBROEXDVCHOIW-UHFFFAOYSA-N -1 0 353.813 -0.197 20 0 FBADRM Cn1cc([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCO2)nn1 ZINC000349445324 484558138 /nfs/dbraw/zinc/55/81/38/484558138.db2.gz FKPOEPGULODNJO-UHFFFAOYSA-N -1 0 373.416 -0.058 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCO2)n1 ZINC000349445498 484156963 /nfs/dbraw/zinc/15/69/63/484156963.db2.gz GBTCOXKUYBMBIA-UHFFFAOYSA-N -1 0 373.416 -0.058 20 0 FBADRM CCN1CCc2nc([N-]S(=O)(=O)CCCS(N)(=O)=O)sc2C1 ZINC000349446296 484557922 /nfs/dbraw/zinc/55/79/22/484557922.db2.gz HIBZLBXNIZLLAF-UHFFFAOYSA-N -1 0 368.506 -0.059 20 0 FBADRM COC(=O)c1sc([N-]S(=O)(=O)CCCS(N)(=O)=O)nc1C ZINC000349446372 484156490 /nfs/dbraw/zinc/15/64/90/484156490.db2.gz HLUVVQKDEUAPKA-UHFFFAOYSA-N -1 0 357.435 -0.342 20 0 FBADRM CCOC(=O)c1oc([N-]S(=O)(=O)CCCS(N)(=O)=O)nc1C ZINC000349447662 484157107 /nfs/dbraw/zinc/15/71/07/484157107.db2.gz ISRKJMKJUGBJAH-UHFFFAOYSA-N -1 0 355.394 -0.420 20 0 FBADRM CC1=CCCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncn(C)n2)C1 ZINC000349451507 485252327 /nfs/dbraw/zinc/25/23/27/485252327.db2.gz BWQWMLYKOCWBLD-UHFFFAOYSA-N -1 0 363.465 -0.071 20 0 FBADRM CCN1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)CC1=O ZINC000349452115 484156679 /nfs/dbraw/zinc/15/66/79/484156679.db2.gz CVEQEVSCCGXEFU-UHFFFAOYSA-N -1 0 366.421 -0.742 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCCO2)nn1 ZINC000349452307 484157017 /nfs/dbraw/zinc/15/70/17/484157017.db2.gz AACUNIVFXHLGPG-UHFFFAOYSA-N -1 0 353.426 -0.696 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](F)[C@@H](F)C2)no1 ZINC000349452395 484157046 /nfs/dbraw/zinc/15/70/46/484157046.db2.gz ALEMGKDPCZQGBU-DTORHVGOSA-N -1 0 374.391 -0.169 20 0 FBADRM COc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCO2)nn1 ZINC000349452442 484558420 /nfs/dbraw/zinc/55/84/20/484558420.db2.gz ATKGKGBSJCPGCM-UHFFFAOYSA-N -1 0 366.421 -0.416 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCCO2)n[nH]1 ZINC000349452454 484557507 /nfs/dbraw/zinc/55/75/07/484557507.db2.gz AVAGMPBZYFNJQU-UHFFFAOYSA-N -1 0 367.453 -0.144 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@](C)(F)C2)n1 ZINC000349453637 484157127 /nfs/dbraw/zinc/15/71/27/484157127.db2.gz ACBZKFJQNOSAPK-LLVKDONJSA-N -1 0 369.444 -0.289 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@](C)(F)C2)n1 ZINC000349453644 484156195 /nfs/dbraw/zinc/15/61/95/484156195.db2.gz ACBZKFJQNOSAPK-NSHDSACASA-N -1 0 369.444 -0.289 20 0 FBADRM CN(CC1(O)CCC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349453746 484156322 /nfs/dbraw/zinc/15/63/22/484156322.db2.gz FNWIHDGUSOGIGD-UHFFFAOYSA-N -1 0 367.449 -0.017 20 0 FBADRM C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000349454205 484156698 /nfs/dbraw/zinc/15/66/98/484156698.db2.gz AXLNVBBEWKUGSZ-GHMZBOCLSA-N -1 0 364.449 -0.607 20 0 FBADRM C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000349454206 484156869 /nfs/dbraw/zinc/15/68/69/484156869.db2.gz AXLNVBBEWKUGSZ-MNOVXSKESA-N -1 0 364.449 -0.607 20 0 FBADRM C[C@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000349454207 484157272 /nfs/dbraw/zinc/15/72/72/484157272.db2.gz AXLNVBBEWKUGSZ-QWRGUYRKSA-N -1 0 364.449 -0.607 20 0 FBADRM C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000349454208 484156996 /nfs/dbraw/zinc/15/69/96/484156996.db2.gz AXLNVBBEWKUGSZ-WDEREUQCSA-N -1 0 364.449 -0.607 20 0 FBADRM CC1(C)[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349454376 484558061 /nfs/dbraw/zinc/55/80/61/484558061.db2.gz BKHHRXKHJXWOGU-SECBINFHSA-N -1 0 367.453 -0.889 20 0 FBADRM CC1(C)[C@@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349454381 484558360 /nfs/dbraw/zinc/55/83/60/484558360.db2.gz BKHHRXKHJXWOGU-VIFPVBQESA-N -1 0 367.453 -0.889 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCc2cnccc21)[N-]c1nc[nH]n1 ZINC000349454997 484557702 /nfs/dbraw/zinc/55/77/02/484557702.db2.gz QLUIKMZZXQLMSK-UHFFFAOYSA-N -1 0 372.432 -0.276 20 0 FBADRM Cn1cc([C@@H]([N-]S(=O)(=O)CCCS(N)(=O)=O)C(F)(F)F)cn1 ZINC000349455015 846212763 /nfs/dbraw/zinc/21/27/63/846212763.db2.gz QPLFLDDTFMDDEU-MRVPVSSYSA-N -1 0 364.371 -0.379 20 0 FBADRM Cn1cc([C@H]([N-]S(=O)(=O)CCCS(N)(=O)=O)C(F)(F)F)cn1 ZINC000349455017 846212942 /nfs/dbraw/zinc/21/29/42/846212942.db2.gz QPLFLDDTFMDDEU-QMMMGPOBSA-N -1 0 364.371 -0.379 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(=O)N(C)C2)o1 ZINC000349455443 484156108 /nfs/dbraw/zinc/15/61/08/484156108.db2.gz CPVUEKRLACKIMN-UHFFFAOYSA-N -1 0 366.421 -0.824 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCCO2)no1 ZINC000349455802 484156076 /nfs/dbraw/zinc/15/60/76/484156076.db2.gz CQUJMKSGUNNXAJ-UHFFFAOYSA-N -1 0 354.410 -0.133 20 0 FBADRM C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000349455840 485254690 /nfs/dbraw/zinc/25/46/90/485254690.db2.gz CYADNPZIPWRAFD-GHMZBOCLSA-N -1 0 364.449 -0.607 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCS(N)(=O)=O)sc1C(=O)OC ZINC000349457071 484156009 /nfs/dbraw/zinc/15/60/09/484156009.db2.gz RTRFUOMRCQZPKE-UHFFFAOYSA-N -1 0 371.462 -0.088 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)[C@H]2C)no1 ZINC000349457080 485257251 /nfs/dbraw/zinc/25/72/51/485257251.db2.gz DAZOLERRKMLKRT-GHMZBOCLSA-N -1 0 367.449 -0.100 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCCO2)n1 ZINC000349457228 483470945 /nfs/dbraw/zinc/47/09/45/483470945.db2.gz DYFSQXWJFCWWBK-UHFFFAOYSA-N -1 0 352.438 -0.091 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(CO)C2)n1 ZINC000349457776 484157782 /nfs/dbraw/zinc/15/77/82/484157782.db2.gz KLQRESQHVWXMJQ-UHFFFAOYSA-N -1 0 366.465 -0.804 20 0 FBADRM CC1(CO)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nccs2)C1 ZINC000349457893 483471546 /nfs/dbraw/zinc/47/15/46/483471546.db2.gz KRDKKOSAQOFPTO-UHFFFAOYSA-N -1 0 369.490 -0.081 20 0 FBADRM NS(=O)(=O)CCCS(=O)(=O)[N-]C1(C(F)(F)F)CCOCC1 ZINC000349458012 846212836 /nfs/dbraw/zinc/21/28/36/846212836.db2.gz SWIGZHZZPWIOOD-UHFFFAOYSA-N -1 0 354.372 -0.304 20 0 FBADRM CN(CC1(O)CCC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349458052 484158568 /nfs/dbraw/zinc/15/85/68/484158568.db2.gz KXYCQQOOCPMLTH-UHFFFAOYSA-N -1 0 367.453 -0.887 20 0 FBADRM CC(C)[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349458077 485257010 /nfs/dbraw/zinc/25/70/10/485257010.db2.gz LDFBRIMBSZWRSB-JTQLQIEISA-N -1 0 351.454 -0.003 20 0 FBADRM CC(C)[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349458079 485257571 /nfs/dbraw/zinc/25/75/71/485257571.db2.gz LDFBRIMBSZWRSB-SNVBAGLBSA-N -1 0 351.454 -0.003 20 0 FBADRM Cc1noc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(O)C2)c1C ZINC000349458163 484157749 /nfs/dbraw/zinc/15/77/49/484157749.db2.gz FZTNSWMYAHXGDC-UHFFFAOYSA-N -1 0 367.449 -0.180 20 0 FBADRM CC1(O)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nccs2)C1 ZINC000349458239 485257087 /nfs/dbraw/zinc/25/70/87/485257087.db2.gz GHPQCVSYQQLNRX-UHFFFAOYSA-N -1 0 355.463 -0.329 20 0 FBADRM CC1(CO)CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccccn2)C1 ZINC000349459582 484158855 /nfs/dbraw/zinc/15/88/55/484158855.db2.gz NZUYOJRPIQHQKE-UHFFFAOYSA-N -1 0 363.461 -0.143 20 0 FBADRM CN(C)C(=O)c1ccnc([N-]S(=O)(=O)CCCS(N)(=O)=O)c1 ZINC000349459686 846212729 /nfs/dbraw/zinc/21/27/29/846212729.db2.gz VNGCRRXYXYAKJF-UHFFFAOYSA-N -1 0 350.422 -0.796 20 0 FBADRM CC1(O)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)C1 ZINC000349460530 485256210 /nfs/dbraw/zinc/25/62/10/485256210.db2.gz INWGFXUFKBJEBE-UHFFFAOYSA-N -1 0 350.422 -0.995 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@](C)(F)C2)nn1 ZINC000349461665 484559989 /nfs/dbraw/zinc/55/99/89/484559989.db2.gz KMHIBZRSWPXNHX-LLVKDONJSA-N -1 0 369.444 -0.289 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@](C)(F)C2)nn1 ZINC000349461666 484559628 /nfs/dbraw/zinc/55/96/28/484559628.db2.gz KMHIBZRSWPXNHX-NSHDSACASA-N -1 0 369.444 -0.289 20 0 FBADRM C[C@@H]([N-]S(=O)(=O)CCCS(=O)(=O)N1CC(C)(O)C1)C(F)(F)F ZINC000349462282 484559278 /nfs/dbraw/zinc/55/92/78/484559278.db2.gz LFTDIBGRAXGBBH-MRVPVSSYSA-N -1 0 368.399 -0.357 20 0 FBADRM CCOC1(C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000349462685 484556668 /nfs/dbraw/zinc/55/66/68/484556668.db2.gz TUKLVFAINAYHJN-UHFFFAOYSA-N -1 0 367.453 -0.623 20 0 FBADRM Cc1csc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(O)C2)n1 ZINC000349462696 484556621 /nfs/dbraw/zinc/55/66/21/484556621.db2.gz LIZSRWOPQDGERE-UHFFFAOYSA-N -1 0 369.490 -0.020 20 0 FBADRM CCc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(O)C2)no1 ZINC000349462881 485256008 /nfs/dbraw/zinc/25/60/08/485256008.db2.gz LUYFNDNWFPCQTR-UHFFFAOYSA-N -1 0 367.449 -0.235 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)[C@H]2C)no1 ZINC000349463101 485255753 /nfs/dbraw/zinc/25/57/53/485255753.db2.gz IVNPGFWAILTYMI-PSASIEDQSA-N -1 0 368.437 -0.705 20 0 FBADRM C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nncs1 ZINC000349463129 485255941 /nfs/dbraw/zinc/25/59/41/485255941.db2.gz JDKCMGFYZUKEJX-RKDXNWHRSA-N -1 0 370.478 -0.545 20 0 FBADRM CC1(C)CN(S(=O)(=O)CCCS(=O)(=O)Nc2cn[nH]c2)C[C@H]1O ZINC000349463272 484157857 /nfs/dbraw/zinc/15/78/57/484157857.db2.gz MDEFXKWPWFLIRD-LLVKDONJSA-N -1 0 366.465 -0.426 20 0 FBADRM CC1(C)CN(S(=O)(=O)CCCS(=O)(=O)Nc2cn[nH]c2)C[C@@H]1O ZINC000349463274 484158314 /nfs/dbraw/zinc/15/83/14/484158314.db2.gz MDEFXKWPWFLIRD-NSHDSACASA-N -1 0 366.465 -0.426 20 0 FBADRM CCOC1(C)CN(S(=O)(=O)CCCS(=O)(=O)Nc2cn[nH]c2)C1 ZINC000349463324 484158940 /nfs/dbraw/zinc/15/89/40/484158940.db2.gz UMOCCAFMGCAZFH-UHFFFAOYSA-N -1 0 366.465 -0.018 20 0 FBADRM C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nncs1 ZINC000349464011 484160498 /nfs/dbraw/zinc/16/04/98/484160498.db2.gz NICRBWBMDMBEAR-BDAKNGLRSA-N -1 0 370.478 -0.545 20 0 FBADRM C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nncs1 ZINC000349464012 484160389 /nfs/dbraw/zinc/16/03/89/484160389.db2.gz NICRBWBMDMBEAR-DTWKUNHWSA-N -1 0 370.478 -0.545 20 0 FBADRM C[C@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nncs1 ZINC000349464013 484159633 /nfs/dbraw/zinc/15/96/33/484159633.db2.gz NICRBWBMDMBEAR-IUCAKERBSA-N -1 0 370.478 -0.545 20 0 FBADRM C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nncs1 ZINC000349464014 484159604 /nfs/dbraw/zinc/15/96/04/484159604.db2.gz NICRBWBMDMBEAR-RKDXNWHRSA-N -1 0 370.478 -0.545 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](F)[C@@H](F)C2)nn1 ZINC000349464448 484160357 /nfs/dbraw/zinc/16/03/57/484160357.db2.gz JJVIEAPVTYPXMQ-DTORHVGOSA-N -1 0 373.407 -0.732 20 0 FBADRM CCc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(O)C2)o1 ZINC000349464505 484159200 /nfs/dbraw/zinc/15/92/00/484159200.db2.gz NZYBWZYWOOHUSU-UHFFFAOYSA-N -1 0 368.437 -0.840 20 0 FBADRM Cc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCO2)s1 ZINC000349464540 484159846 /nfs/dbraw/zinc/15/98/46/484159846.db2.gz JYFDQPPMNBEPLI-UHFFFAOYSA-N -1 0 356.451 -0.055 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](O)C[C@H]2C)no1 ZINC000349465231 484160511 /nfs/dbraw/zinc/16/05/11/484160511.db2.gz OYIFUYRBPUMFSP-PSASIEDQSA-N -1 0 368.437 -0.705 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](O)C[C@H]2C)no1 ZINC000349465234 484159793 /nfs/dbraw/zinc/15/97/93/484159793.db2.gz OYIFUYRBPUMFSP-SCZZXKLOSA-N -1 0 368.437 -0.705 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](O)C[C@@H]2C)no1 ZINC000349465236 484159737 /nfs/dbraw/zinc/15/97/37/484159737.db2.gz OYIFUYRBPUMFSP-WCBMZHEXSA-N -1 0 368.437 -0.705 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](F)[C@@H](F)C2)n1 ZINC000349465435 484566681 /nfs/dbraw/zinc/56/66/81/484566681.db2.gz KWNPBTDIWGKMBE-DTORHVGOSA-N -1 0 373.407 -0.732 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H]2C2CC2)n1 ZINC000349465635 484160424 /nfs/dbraw/zinc/16/04/24/484160424.db2.gz LJUHUHIURSIPFK-LLVKDONJSA-N -1 0 363.465 -0.239 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H]2C2CC2)n1 ZINC000349465636 484159276 /nfs/dbraw/zinc/15/92/76/484159276.db2.gz LJUHUHIURSIPFK-NSHDSACASA-N -1 0 363.465 -0.239 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](O)C[C@@H]2C)no1 ZINC000349465676 484160051 /nfs/dbraw/zinc/16/00/51/484160051.db2.gz OYIFUYRBPUMFSP-WPRPVWTQSA-N -1 0 368.437 -0.705 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(O)C2)s1 ZINC000349465831 484567030 /nfs/dbraw/zinc/56/70/30/484567030.db2.gz PMCZTYIIMODPNY-UHFFFAOYSA-N -1 0 369.490 -0.020 20 0 FBADRM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(O)C2)n1 ZINC000349466065 484160155 /nfs/dbraw/zinc/16/01/55/484160155.db2.gz PWUWJFRXSPCHCA-UHFFFAOYSA-N -1 0 364.449 -0.687 20 0 FBADRM O=S(=O)([N-]c1nnc[nH]1)c1ccccc1S(=O)(=O)N[C@@H]1CC[C@H]1O ZINC000349466781 484159375 /nfs/dbraw/zinc/15/93/75/484159375.db2.gz FVXYPAJXIBFSDL-RKDXNWHRSA-N -1 0 373.416 -0.593 20 0 FBADRM Cc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(O)C2)s1 ZINC000349466895 484160406 /nfs/dbraw/zinc/16/04/06/484160406.db2.gz RHIRUJQUFLKVJR-UHFFFAOYSA-N -1 0 370.478 -0.625 20 0 FBADRM CC1(O)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nncs2)C1 ZINC000349467396 484160373 /nfs/dbraw/zinc/16/03/73/484160373.db2.gz SBOMBRAFIQBAMC-UHFFFAOYSA-N -1 0 356.451 -0.934 20 0 FBADRM C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349467424 484159402 /nfs/dbraw/zinc/15/94/02/484159402.db2.gz SEOWESQUPBSTSY-NXEZZACHSA-N -1 0 353.422 -0.409 20 0 FBADRM C[C@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349467425 484159516 /nfs/dbraw/zinc/15/95/16/484159516.db2.gz SEOWESQUPBSTSY-UWVGGRQHSA-N -1 0 353.422 -0.409 20 0 FBADRM C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349467426 484159952 /nfs/dbraw/zinc/15/99/52/484159952.db2.gz SEOWESQUPBSTSY-VHSXEESVSA-N -1 0 353.422 -0.409 20 0 FBADRM C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349467427 484159231 /nfs/dbraw/zinc/15/92/31/484159231.db2.gz SEOWESQUPBSTSY-ZJUUUORDSA-N -1 0 353.422 -0.409 20 0 FBADRM CCc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCO2)o1 ZINC000349467681 484159435 /nfs/dbraw/zinc/15/94/35/484159435.db2.gz NUIRVVQAYOABQD-UHFFFAOYSA-N -1 0 354.410 -0.269 20 0 FBADRM C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)(F)F ZINC000349467873 485255857 /nfs/dbraw/zinc/25/58/57/485255857.db2.gz SXPRYWDZWUVEJX-BDAKNGLRSA-N -1 0 368.399 -0.357 20 0 FBADRM C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)(F)F ZINC000349467874 485255983 /nfs/dbraw/zinc/25/59/83/485255983.db2.gz SXPRYWDZWUVEJX-DTWKUNHWSA-N -1 0 368.399 -0.357 20 0 FBADRM C[C@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)(F)F ZINC000349467876 485256349 /nfs/dbraw/zinc/25/63/49/485256349.db2.gz SXPRYWDZWUVEJX-IUCAKERBSA-N -1 0 368.399 -0.357 20 0 FBADRM C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)(F)F ZINC000349467877 485255575 /nfs/dbraw/zinc/25/55/75/485255575.db2.gz SXPRYWDZWUVEJX-RKDXNWHRSA-N -1 0 368.399 -0.357 20 0 FBADRM COC[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000349468175 484567046 /nfs/dbraw/zinc/56/70/46/484567046.db2.gz UUDZBOKCZMTXFC-LLVKDONJSA-N -1 0 364.449 -0.341 20 0 FBADRM COC[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000349468176 484566724 /nfs/dbraw/zinc/56/67/24/484566724.db2.gz UUDZBOKCZMTXFC-NSHDSACASA-N -1 0 364.449 -0.341 20 0 FBADRM C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349468483 485256437 /nfs/dbraw/zinc/25/64/37/485256437.db2.gz PQRXUVYAPNLUAZ-NXEZZACHSA-N -1 0 353.422 -0.409 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(C)(O)C1 ZINC000349468513 484159503 /nfs/dbraw/zinc/15/95/03/484159503.db2.gz UZPYWGUJSLNQRP-UHFFFAOYSA-N -1 0 353.422 -0.489 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C)C1 ZINC000349468610 484160528 /nfs/dbraw/zinc/16/05/28/484160528.db2.gz VMEOHGLRNSAVTJ-UHFFFAOYSA-N -1 0 366.421 -0.824 20 0 FBADRM COC[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1noc(C)n1 ZINC000349468621 484566716 /nfs/dbraw/zinc/56/67/16/484566716.db2.gz VNSPJKFDPHKGEA-JTQLQIEISA-N -1 0 368.437 -0.440 20 0 FBADRM COC[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1noc(C)n1 ZINC000349468623 484566670 /nfs/dbraw/zinc/56/66/70/484566670.db2.gz VNSPJKFDPHKGEA-SNVBAGLBSA-N -1 0 368.437 -0.440 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(O)C2)no1 ZINC000349468885 484566629 /nfs/dbraw/zinc/56/66/29/484566629.db2.gz VXFCUUJADOGKDH-UHFFFAOYSA-N -1 0 353.422 -0.489 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](O)C[C@@H]2C)no1 ZINC000349469274 484566605 /nfs/dbraw/zinc/56/66/05/484566605.db2.gz WFJSYZPYSXLMKM-GXSJLCMTSA-N -1 0 367.449 -0.100 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](O)C[C@H]2C)no1 ZINC000349469275 484566538 /nfs/dbraw/zinc/56/65/38/484566538.db2.gz WFJSYZPYSXLMKM-KOLCDFICSA-N -1 0 367.449 -0.100 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](O)C[C@H]2C)no1 ZINC000349469276 484566750 /nfs/dbraw/zinc/56/67/50/484566750.db2.gz WFJSYZPYSXLMKM-MWLCHTKSSA-N -1 0 367.449 -0.100 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](O)C[C@@H]2C)no1 ZINC000349469277 484567191 /nfs/dbraw/zinc/56/71/91/484567191.db2.gz WFJSYZPYSXLMKM-ONGXEEELSA-N -1 0 367.449 -0.100 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(O)C2)nc1 ZINC000349469294 660102959 /nfs/dbraw/zinc/10/29/59/660102959.db2.gz WJMROWZSVQWCNV-UHFFFAOYSA-N -1 0 364.449 -0.687 20 0 FBADRM C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000349469581 485256140 /nfs/dbraw/zinc/25/61/40/485256140.db2.gz QUUPOCPMDWZGHN-GHMZBOCLSA-N -1 0 366.465 -0.663 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)C[C@H]1C ZINC000349470208 484161771 /nfs/dbraw/zinc/16/17/71/484161771.db2.gz YBYXJMWCAFNQEK-GHMZBOCLSA-N -1 0 367.449 -0.100 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)C[C@H]1C ZINC000349470210 484160920 /nfs/dbraw/zinc/16/09/20/484160920.db2.gz YBYXJMWCAFNQEK-MNOVXSKESA-N -1 0 367.449 -0.100 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)C[C@@H]1C ZINC000349470212 484161090 /nfs/dbraw/zinc/16/10/90/484161090.db2.gz YBYXJMWCAFNQEK-QWRGUYRKSA-N -1 0 367.449 -0.100 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCO2)no1 ZINC000349470398 484161241 /nfs/dbraw/zinc/16/12/41/484161241.db2.gz SFLMWMSEALPIMX-UHFFFAOYSA-N -1 0 354.410 -0.269 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)C[C@@H]1C ZINC000349470522 484161291 /nfs/dbraw/zinc/16/12/91/484161291.db2.gz YBYXJMWCAFNQEK-WDEREUQCSA-N -1 0 367.449 -0.100 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(O)C2)no1 ZINC000349470546 484161059 /nfs/dbraw/zinc/16/10/59/484161059.db2.gz YFKVFLGTKFSUOW-UHFFFAOYSA-N -1 0 368.437 -0.840 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(=O)N(C)C2)no1 ZINC000349470713 484160980 /nfs/dbraw/zinc/16/09/80/484160980.db2.gz YUQQRWKVTGVAAR-UHFFFAOYSA-N -1 0 366.421 -0.824 20 0 FBADRM Cc1onc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(O)C2)c1C ZINC000349470832 484160827 /nfs/dbraw/zinc/16/08/27/484160827.db2.gz YYPNZRXJIWCZAW-UHFFFAOYSA-N -1 0 367.449 -0.180 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCCO1)[N-]c1cc2ccccn2n1 ZINC000349471155 484380920 /nfs/dbraw/zinc/38/09/20/484380920.db2.gz UCUDTRNWVUKPIO-UHFFFAOYSA-N -1 0 374.444 0.433 20 0 FBADRM COC[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000349471289 484161848 /nfs/dbraw/zinc/16/18/48/484161848.db2.gz ZVONYOBMPUDHPI-LLVKDONJSA-N -1 0 366.465 -0.398 20 0 FBADRM COC[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000349471290 484160995 /nfs/dbraw/zinc/16/09/95/484160995.db2.gz ZVONYOBMPUDHPI-NSHDSACASA-N -1 0 366.465 -0.398 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCCO2)n1 ZINC000349471301 484161912 /nfs/dbraw/zinc/16/19/12/484161912.db2.gz URDZSCQQEMWFLS-UHFFFAOYSA-N -1 0 353.426 -0.696 20 0 FBADRM C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)(F)F ZINC000349471304 485256055 /nfs/dbraw/zinc/25/60/55/485256055.db2.gz USSNLGTZGFFKKV-RKDXNWHRSA-N -1 0 368.399 -0.357 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCO2)n[nH]1 ZINC000349471880 484567938 /nfs/dbraw/zinc/56/79/38/484567938.db2.gz VSXZHFRGYWBVQD-UHFFFAOYSA-N -1 0 353.426 -0.534 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCO2)nc1 ZINC000349472594 660103016 /nfs/dbraw/zinc/10/30/16/660103016.db2.gz WTOKPHODSWEHOG-UHFFFAOYSA-N -1 0 350.422 -0.116 20 0 FBADRM CC(C)n1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCO2)n1 ZINC000349472622 660102974 /nfs/dbraw/zinc/10/29/74/660102974.db2.gz XBARNLOUKMLABF-UHFFFAOYSA-N -1 0 367.453 -0.042 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](O)[C@H]1C ZINC000349472883 485256200 /nfs/dbraw/zinc/25/62/00/485256200.db2.gz XHLRSTOJQLJYCB-GHMZBOCLSA-N -1 0 367.449 -0.100 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCCCO1)[N-]c1ncccn1 ZINC000349473020 484568090 /nfs/dbraw/zinc/56/80/90/484568090.db2.gz YCTRSWFLMFSIIU-UHFFFAOYSA-N -1 0 350.422 -0.034 20 0 FBADRM CC(C)C1(O)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C1 ZINC000349473068 660103025 /nfs/dbraw/zinc/10/30/25/660103025.db2.gz HLEPBQXSEYUHBK-UHFFFAOYSA-N -1 0 367.449 -0.161 20 0 FBADRM O=S(=O)([N-]c1cn[nH]c1)c1ccccc1S(=O)(=O)N1CC[C@@H](O)C1 ZINC000349474066 484162480 /nfs/dbraw/zinc/16/24/80/484162480.db2.gz UAWYZGFSXGSQTC-LLVKDONJSA-N -1 0 372.428 -0.034 20 0 FBADRM O=S(=O)([N-]c1cn[nH]c1)c1ccccc1S(=O)(=O)N1CC[C@H](O)C1 ZINC000349474067 484162509 /nfs/dbraw/zinc/16/25/09/484162509.db2.gz UAWYZGFSXGSQTC-NSHDSACASA-N -1 0 372.428 -0.034 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](C)[C@H]2C)nn1C ZINC000349474188 484163573 /nfs/dbraw/zinc/16/35/73/484163573.db2.gz CSNVBXGWDGNTQS-NXEZZACHSA-N -1 0 365.481 -0.075 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](C)[C@@H]2C)nn1C ZINC000349474189 484162444 /nfs/dbraw/zinc/16/24/44/484162444.db2.gz CSNVBXGWDGNTQS-UWVGGRQHSA-N -1 0 365.481 -0.075 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC23CCC3)n1 ZINC000349474209 484163004 /nfs/dbraw/zinc/16/30/04/484163004.db2.gz JHSULGBFGIDAEO-UHFFFAOYSA-N -1 0 363.465 -0.095 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCC[C@@H]1CCO)[N-]c1ccon1 ZINC000349474266 484163221 /nfs/dbraw/zinc/16/32/21/484163221.db2.gz JNUZCNAUZNQNHC-LLVKDONJSA-N -1 0 367.449 -0.017 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCC[C@H]1CCO)[N-]c1ccon1 ZINC000349474267 484163343 /nfs/dbraw/zinc/16/33/43/484163343.db2.gz JNUZCNAUZNQNHC-NSHDSACASA-N -1 0 367.449 -0.017 20 0 FBADRM O=S(=O)([N-]c1nnc[nH]1)c1ccccc1S(=O)(=O)N1CC[C@@H](O)C1 ZINC000349474463 484163394 /nfs/dbraw/zinc/16/33/94/484163394.db2.gz VLOHRWVBVKSCBQ-SECBINFHSA-N -1 0 373.416 -0.639 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](C)[C@H]2C)nn1C ZINC000349474590 484163273 /nfs/dbraw/zinc/16/32/73/484163273.db2.gz CSNVBXGWDGNTQS-VHSXEESVSA-N -1 0 365.481 -0.075 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](C)[C@@H]2C)nn1C ZINC000349474591 484162457 /nfs/dbraw/zinc/16/24/57/484162457.db2.gz CSNVBXGWDGNTQS-ZJUUUORDSA-N -1 0 365.481 -0.075 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(CO)C2)no1 ZINC000349474620 484162321 /nfs/dbraw/zinc/16/23/21/484162321.db2.gz CYWKOPBWQAGYEV-UHFFFAOYSA-N -1 0 368.437 -0.846 20 0 FBADRM C[C@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000349474921 485256026 /nfs/dbraw/zinc/25/60/26/485256026.db2.gz DNNJSBIIKNTOKK-JTQLQIEISA-N -1 0 352.438 -0.749 20 0 FBADRM C[C@@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000349474922 484163114 /nfs/dbraw/zinc/16/31/14/484163114.db2.gz DNNJSBIIKNTOKK-SNVBAGLBSA-N -1 0 352.438 -0.749 20 0 FBADRM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@@H](C)O)n1 ZINC000349474944 484162427 /nfs/dbraw/zinc/16/24/27/484162427.db2.gz DRANCVYHFGLBJH-LLVKDONJSA-N -1 0 366.465 -0.441 20 0 FBADRM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@H](C)O)n1 ZINC000349474945 484037473 /nfs/dbraw/zinc/03/74/73/484037473.db2.gz DRANCVYHFGLBJH-NSHDSACASA-N -1 0 366.465 -0.441 20 0 FBADRM CCN(C1COC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000349475081 484163291 /nfs/dbraw/zinc/16/32/91/484163291.db2.gz LBBCEANHCLYTFJ-UHFFFAOYSA-N -1 0 366.465 -0.398 20 0 FBADRM CN(C(C)(C)C(N)=O)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349475182 484163128 /nfs/dbraw/zinc/16/31/28/484163128.db2.gz LSPYBBCYAYOVKI-UHFFFAOYSA-N -1 0 368.437 -0.668 20 0 FBADRM CCN(C1COC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nncs1 ZINC000349475183 484162965 /nfs/dbraw/zinc/16/29/65/484162965.db2.gz LTTIYTNOYXVPBZ-UHFFFAOYSA-N -1 0 370.478 -0.280 20 0 FBADRM CC1(C)[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)[N-]c3nc[nH]n3)C[C@@H]21 ZINC000349475252 484163161 /nfs/dbraw/zinc/16/31/61/484163161.db2.gz MBFLWECAIFAZLN-AOOOYVTPSA-N -1 0 363.465 -0.146 20 0 FBADRM C[C@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nccs1 ZINC000349475346 484163146 /nfs/dbraw/zinc/16/31/46/484163146.db2.gz MLCBNHMVGCNOIE-SECBINFHSA-N -1 0 357.479 -0.083 20 0 FBADRM C[C@@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nccs1 ZINC000349475348 485255969 /nfs/dbraw/zinc/25/59/69/485255969.db2.gz MLCBNHMVGCNOIE-VIFPVBQESA-N -1 0 357.479 -0.083 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C2(CO)CC2)no1 ZINC000349475806 484162913 /nfs/dbraw/zinc/16/29/13/484162913.db2.gz GCKKCPWDVJESOH-UHFFFAOYSA-N -1 0 367.449 -0.099 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncn(C)n2)[C@@H]1C ZINC000349476099 484162985 /nfs/dbraw/zinc/16/29/85/484162985.db2.gz GSUONIQKHOWVFU-NXEZZACHSA-N -1 0 351.454 -0.383 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncn(C)n2)[C@H]1C ZINC000349476100 484163233 /nfs/dbraw/zinc/16/32/33/484163233.db2.gz GSUONIQKHOWVFU-UWVGGRQHSA-N -1 0 351.454 -0.383 20 0 FBADRM C[C@@H]1[C@@H](C)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1 ZINC000349476102 484163417 /nfs/dbraw/zinc/16/34/17/484163417.db2.gz GSUONIQKHOWVFU-VHSXEESVSA-N -1 0 351.454 -0.383 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncn(C)n2)[C@H]1C ZINC000349476103 484163448 /nfs/dbraw/zinc/16/34/48/484163448.db2.gz GSUONIQKHOWVFU-ZJUUUORDSA-N -1 0 351.454 -0.383 20 0 FBADRM C[C@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nncs1 ZINC000349476166 484162897 /nfs/dbraw/zinc/16/28/97/484162897.db2.gz ONFFHSMNCFOUCG-MRVPVSSYSA-N -1 0 358.467 -0.688 20 0 FBADRM C[C@@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nncs1 ZINC000349476167 484560133 /nfs/dbraw/zinc/56/01/33/484560133.db2.gz ONFFHSMNCFOUCG-QMMMGPOBSA-N -1 0 358.467 -0.688 20 0 FBADRM Cc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)CO)s1 ZINC000349476352 484559510 /nfs/dbraw/zinc/55/95/10/484559510.db2.gz OXTANCZSXDPRIT-MRVPVSSYSA-N -1 0 372.494 -0.379 20 0 FBADRM Cc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CO)s1 ZINC000349476353 484162928 /nfs/dbraw/zinc/16/29/28/484162928.db2.gz OXTANCZSXDPRIT-QMMMGPOBSA-N -1 0 372.494 -0.379 20 0 FBADRM CN(C1(CO)CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349476586 484559670 /nfs/dbraw/zinc/55/96/70/484559670.db2.gz HNMSTAKEXCUUKV-UHFFFAOYSA-N -1 0 353.422 -0.407 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@@H](C)O)no1 ZINC000349476592 484162767 /nfs/dbraw/zinc/16/27/67/484162767.db2.gz HOHSXVAKLBONSK-SECBINFHSA-N -1 0 355.438 -0.243 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@H](C)O)no1 ZINC000349476593 485255701 /nfs/dbraw/zinc/25/57/01/485255701.db2.gz HOHSXVAKLBONSK-VIFPVBQESA-N -1 0 355.438 -0.243 20 0 FBADRM C[C@@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nncs1 ZINC000349476598 484163103 /nfs/dbraw/zinc/16/31/03/484163103.db2.gz HPWRLQOPDANSKV-MRVPVSSYSA-N -1 0 358.467 -0.688 20 0 FBADRM C[C@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nncs1 ZINC000349476599 485256241 /nfs/dbraw/zinc/25/62/41/485256241.db2.gz HPWRLQOPDANSKV-QMMMGPOBSA-N -1 0 358.467 -0.688 20 0 FBADRM C[C@@H]1C[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000349477039 484162652 /nfs/dbraw/zinc/16/26/52/484162652.db2.gz QBNMBBRHBQYFPU-NXEZZACHSA-N -1 0 351.454 -0.003 20 0 FBADRM C[C@H]1C[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000349477040 484162375 /nfs/dbraw/zinc/16/23/75/484162375.db2.gz QBNMBBRHBQYFPU-UWVGGRQHSA-N -1 0 351.454 -0.003 20 0 FBADRM C[C@@H]1C[C@H](C)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349477041 484163046 /nfs/dbraw/zinc/16/30/46/484163046.db2.gz QBNMBBRHBQYFPU-VHSXEESVSA-N -1 0 351.454 -0.003 20 0 FBADRM C[C@@H]1C[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000349477042 484163362 /nfs/dbraw/zinc/16/33/62/484163362.db2.gz QBNMBBRHBQYFPU-ZJUUUORDSA-N -1 0 351.454 -0.003 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CO ZINC000349478110 484559352 /nfs/dbraw/zinc/55/93/52/484559352.db2.gz RUFDDUONWJVQAX-JTQLQIEISA-N -1 0 355.438 -0.243 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)CO ZINC000349478111 484163382 /nfs/dbraw/zinc/16/33/82/484163382.db2.gz RUFDDUONWJVQAX-SNVBAGLBSA-N -1 0 355.438 -0.243 20 0 FBADRM CCC1(C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000349478185 484162551 /nfs/dbraw/zinc/16/25/51/484162551.db2.gz JQZRDGQNPIKCJX-UHFFFAOYSA-N -1 0 351.454 -0.002 20 0 FBADRM CCN(C1COC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1noc(C)n1 ZINC000349478356 484162619 /nfs/dbraw/zinc/16/26/19/484162619.db2.gz SBNZVVSOFPMEEH-UHFFFAOYSA-N -1 0 368.437 -0.440 20 0 FBADRM CCN(C1COC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349478491 484163023 /nfs/dbraw/zinc/16/30/23/484163023.db2.gz SHHIARYXIVNGLU-UHFFFAOYSA-N -1 0 353.422 -0.143 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)CO)no1 ZINC000349478881 485256395 /nfs/dbraw/zinc/25/63/95/485256395.db2.gz SYVQPYDOXJYFRB-SECBINFHSA-N -1 0 355.438 -0.243 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CO)no1 ZINC000349478882 484162859 /nfs/dbraw/zinc/16/28/59/484162859.db2.gz SYVQPYDOXJYFRB-VIFPVBQESA-N -1 0 355.438 -0.243 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)CO)no1 ZINC000349478892 484162328 /nfs/dbraw/zinc/16/23/28/484162328.db2.gz TUNYTDRFSGDUKF-MRVPVSSYSA-N -1 0 356.426 -0.848 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CO)no1 ZINC000349478893 484163486 /nfs/dbraw/zinc/16/34/86/484163486.db2.gz TUNYTDRFSGDUKF-QMMMGPOBSA-N -1 0 356.426 -0.848 20 0 FBADRM Cc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@@H](C)O)s1 ZINC000349479349 484163557 /nfs/dbraw/zinc/16/35/57/484163557.db2.gz LNVQKVJENUXGDJ-MRVPVSSYSA-N -1 0 372.494 -0.379 20 0 FBADRM Cc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@H](C)O)s1 ZINC000349479350 485258177 /nfs/dbraw/zinc/25/81/77/485258177.db2.gz LNVQKVJENUXGDJ-QMMMGPOBSA-N -1 0 372.494 -0.379 20 0 FBADRM COC1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]c2nnc[nH]2)C1 ZINC000349480149 484559488 /nfs/dbraw/zinc/55/94/88/484559488.db2.gz KDSFKXNNQBIGLP-UHFFFAOYSA-N -1 0 373.416 -0.375 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cn(C)nn2)[C@@H]1C ZINC000349480386 485257032 /nfs/dbraw/zinc/25/70/32/485257032.db2.gz NEXPWNMHDWJJGN-NXEZZACHSA-N -1 0 351.454 -0.383 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cn(C)nn2)[C@H]1C ZINC000349480387 485257190 /nfs/dbraw/zinc/25/71/90/485257190.db2.gz NEXPWNMHDWJJGN-UWVGGRQHSA-N -1 0 351.454 -0.383 20 0 FBADRM C[C@@H]1[C@@H](C)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cn(C)nn1 ZINC000349480388 485256831 /nfs/dbraw/zinc/25/68/31/485256831.db2.gz NEXPWNMHDWJJGN-VHSXEESVSA-N -1 0 351.454 -0.383 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cn(C)nn2)[C@H]1C ZINC000349480389 485257326 /nfs/dbraw/zinc/25/73/26/485257326.db2.gz NEXPWNMHDWJJGN-ZJUUUORDSA-N -1 0 351.454 -0.383 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC23CCC3)nn1 ZINC000349480729 485257597 /nfs/dbraw/zinc/25/75/97/485257597.db2.gz YCOLIJSLRFWIKU-UHFFFAOYSA-N -1 0 363.465 -0.095 20 0 FBADRM Cn1cc([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CCOC2)nn1 ZINC000349481169 484164791 /nfs/dbraw/zinc/16/47/91/484164791.db2.gz MOKFSRQEZHZHDG-UHFFFAOYSA-N -1 0 373.416 -0.406 20 0 FBADRM CN(C1(CO)CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000349481266 484164566 /nfs/dbraw/zinc/16/45/66/484164566.db2.gz OEYQHUUXHJTMDP-UHFFFAOYSA-N -1 0 366.465 -0.662 20 0 FBADRM CCN(C1COC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000349481309 484164473 /nfs/dbraw/zinc/16/44/73/484164473.db2.gz ZKURABMGJVPYFM-UHFFFAOYSA-N -1 0 364.449 -0.341 20 0 FBADRM C[C@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000349481319 485257438 /nfs/dbraw/zinc/25/74/38/485257438.db2.gz OLLXMRXNRMVADR-JTQLQIEISA-N -1 0 354.454 -0.806 20 0 FBADRM C[C@@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000349481320 484165005 /nfs/dbraw/zinc/16/50/05/484165005.db2.gz OLLXMRXNRMVADR-SNVBAGLBSA-N -1 0 354.454 -0.806 20 0 FBADRM C[C@@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000349481334 484559422 /nfs/dbraw/zinc/55/94/22/484559422.db2.gz ZMSQXEKGWAKJOY-JTQLQIEISA-N -1 0 354.454 -0.806 20 0 FBADRM C[C@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000349481336 484559365 /nfs/dbraw/zinc/55/93/65/484559365.db2.gz ZMSQXEKGWAKJOY-SNVBAGLBSA-N -1 0 354.454 -0.806 20 0 FBADRM CC1(O)CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]c2nnc[nH]2)C1 ZINC000349481479 484559640 /nfs/dbraw/zinc/55/96/40/484559640.db2.gz NBOXUWZPGGIJEX-UHFFFAOYSA-N -1 0 373.416 -0.639 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C1(CO)CC1 ZINC000349481638 484164304 /nfs/dbraw/zinc/16/43/04/484164304.db2.gz OPNNSEMXICAXEF-UHFFFAOYSA-N -1 0 367.449 -0.099 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(CO)C2)no1 ZINC000349481658 484165065 /nfs/dbraw/zinc/16/50/65/484165065.db2.gz OQUNLKAGHSSPCM-UHFFFAOYSA-N -1 0 367.449 -0.241 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(C)(CO)C1 ZINC000349482168 484559385 /nfs/dbraw/zinc/55/93/85/484559385.db2.gz PQPQDFKQLGPBPC-UHFFFAOYSA-N -1 0 367.449 -0.241 20 0 FBADRM O=S(=O)([N-]c1cn[nH]c1)c1ccccc1S(=O)(=O)N1CC(CO)C1 ZINC000349482506 484559610 /nfs/dbraw/zinc/55/96/10/484559610.db2.gz SETLFTZPEDAQRK-UHFFFAOYSA-N -1 0 372.428 -0.177 20 0 FBADRM CC1(O)CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]c2cn[nH]c2)C1 ZINC000349482866 484560089 /nfs/dbraw/zinc/56/00/89/484560089.db2.gz UGZDGPZBUBKWDE-UHFFFAOYSA-N -1 0 372.428 -0.034 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CCOC2)n1 ZINC000349483062 484559397 /nfs/dbraw/zinc/55/93/97/484559397.db2.gz UXZWVMSONAVQHT-UHFFFAOYSA-N -1 0 373.416 -0.406 20 0 FBADRM O=S(=O)([N-]c1nnc[nH]1)c1ccccc1S(=O)(=O)N1CCCOC1 ZINC000349483093 484164164 /nfs/dbraw/zinc/16/41/64/484164164.db2.gz VAGRLRJADOEINM-UHFFFAOYSA-N -1 0 373.416 -0.026 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C2(CO)CC2)no1 ZINC000349483923 484561471 /nfs/dbraw/zinc/56/14/71/484561471.db2.gz RDGIDZURXXEVSA-UHFFFAOYSA-N -1 0 368.437 -0.704 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](C)[C@H]2C)nnn1C ZINC000349483980 484164549 /nfs/dbraw/zinc/16/45/49/484164549.db2.gz RLLCHMDHCIVYLC-NXEZZACHSA-N -1 0 365.481 -0.075 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](C)[C@@H]2C)nnn1C ZINC000349483983 484164023 /nfs/dbraw/zinc/16/40/23/484164023.db2.gz RLLCHMDHCIVYLC-UWVGGRQHSA-N -1 0 365.481 -0.075 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](C)[C@H]2C)nnn1C ZINC000349483986 484164928 /nfs/dbraw/zinc/16/49/28/484164928.db2.gz RLLCHMDHCIVYLC-VHSXEESVSA-N -1 0 365.481 -0.075 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](C)[C@@H]2C)nnn1C ZINC000349483989 484164808 /nfs/dbraw/zinc/16/48/08/484164808.db2.gz RLLCHMDHCIVYLC-ZJUUUORDSA-N -1 0 365.481 -0.075 20 0 FBADRM CCN([C@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349485275 484164130 /nfs/dbraw/zinc/16/41/30/484164130.db2.gz AAENWFKPIWNAEX-JTQLQIEISA-N -1 0 367.453 -0.623 20 0 FBADRM CCN([C@@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349485276 484163929 /nfs/dbraw/zinc/16/39/29/484163929.db2.gz AAENWFKPIWNAEX-SNVBAGLBSA-N -1 0 367.453 -0.623 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@@H](C)O)nc1 ZINC000349485518 660103060 /nfs/dbraw/zinc/10/30/60/660103060.db2.gz ULVFCVBQLAXINQ-LLVKDONJSA-N -1 0 366.465 -0.441 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@H](C)O)nc1 ZINC000349485519 660103255 /nfs/dbraw/zinc/10/32/55/660103255.db2.gz ULVFCVBQLAXINQ-NSHDSACASA-N -1 0 366.465 -0.441 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@@H](C)O)no1 ZINC000349486067 484560793 /nfs/dbraw/zinc/56/07/93/484560793.db2.gz VKNCCWSWZRMTNH-MRVPVSSYSA-N -1 0 356.426 -0.848 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@H](C)O)no1 ZINC000349486068 485256866 /nfs/dbraw/zinc/25/68/66/485256866.db2.gz VKNCCWSWZRMTNH-QMMMGPOBSA-N -1 0 356.426 -0.848 20 0 FBADRM CN([C@@H]1CCCOC1)S(=O)(=O)CCCS(=O)(=O)Nc1cn[nH]c1 ZINC000349486790 484164211 /nfs/dbraw/zinc/16/42/11/484164211.db2.gz CGXVHFHKKAVXGQ-GFCCVEGCSA-N -1 0 366.465 -0.018 20 0 FBADRM CN([C@H]1CCCOC1)S(=O)(=O)CCCS(=O)(=O)Nc1cn[nH]c1 ZINC000349486791 484164445 /nfs/dbraw/zinc/16/44/45/484164445.db2.gz CGXVHFHKKAVXGQ-LBPRGKRZSA-N -1 0 366.465 -0.018 20 0 FBADRM CC[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1 ZINC000349487094 484165702 /nfs/dbraw/zinc/16/57/02/484165702.db2.gz WSOIKZOOHAWHEQ-JTQLQIEISA-N -1 0 351.454 -0.239 20 0 FBADRM CC[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1 ZINC000349487095 484166524 /nfs/dbraw/zinc/16/65/24/484166524.db2.gz WSOIKZOOHAWHEQ-SNVBAGLBSA-N -1 0 351.454 -0.239 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@H](C)O ZINC000349487367 485257428 /nfs/dbraw/zinc/25/74/28/485257428.db2.gz XKLHVRJSPNCBFC-JTQLQIEISA-N -1 0 355.438 -0.243 20 0 FBADRM C[C@@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nccs1 ZINC000349487412 484165820 /nfs/dbraw/zinc/16/58/20/484165820.db2.gz XONYMFOJOHGCBT-SECBINFHSA-N -1 0 357.479 -0.083 20 0 FBADRM C[C@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nccs1 ZINC000349487413 485256795 /nfs/dbraw/zinc/25/67/95/485256795.db2.gz XONYMFOJOHGCBT-VIFPVBQESA-N -1 0 357.479 -0.083 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C2CC(O)C2)no1 ZINC000349487844 484166195 /nfs/dbraw/zinc/16/61/95/484166195.db2.gz DETPRBIOGQQGNY-UHFFFAOYSA-N -1 0 368.437 -0.705 20 0 FBADRM CN(C1(CO)CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000349488357 484166570 /nfs/dbraw/zinc/16/65/70/484166570.db2.gz ZGBWMUZQKQVCQS-UHFFFAOYSA-N -1 0 364.449 -0.605 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N(C1CC1)C1COC1)[N-]c1nc[nH]n1 ZINC000349489228 484561088 /nfs/dbraw/zinc/56/10/88/484561088.db2.gz FOXJEPJZAAYTSW-UHFFFAOYSA-N -1 0 365.437 -0.871 20 0 FBADRM CN(C1CC(O)C1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349489679 484166700 /nfs/dbraw/zinc/16/67/00/484166700.db2.gz FVDUGUWOBIRJQS-UHFFFAOYSA-N -1 0 353.422 -0.409 20 0 FBADRM C[C@]1(CO)CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349490968 484165679 /nfs/dbraw/zinc/16/56/79/484165679.db2.gz IMOHLZPWKQGEMM-GFCCVEGCSA-N -1 0 367.449 -0.017 20 0 FBADRM C[C@@]1(CO)CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349490969 484166395 /nfs/dbraw/zinc/16/63/95/484166395.db2.gz IMOHLZPWKQGEMM-LBPRGKRZSA-N -1 0 367.449 -0.017 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)[C@@H]1CO ZINC000349491035 485256840 /nfs/dbraw/zinc/25/68/40/485256840.db2.gz IWEAJVZVMNDNGQ-GHMZBOCLSA-N -1 0 367.449 -0.161 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)[C@H]1CO ZINC000349491036 485256879 /nfs/dbraw/zinc/25/68/79/485256879.db2.gz IWEAJVZVMNDNGQ-MNOVXSKESA-N -1 0 367.449 -0.161 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)[C@H]1CO ZINC000349491038 485257109 /nfs/dbraw/zinc/25/71/09/485257109.db2.gz IWEAJVZVMNDNGQ-QWRGUYRKSA-N -1 0 367.449 -0.161 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)[C@@H]1CO ZINC000349491040 485257539 /nfs/dbraw/zinc/25/75/39/485257539.db2.gz IWEAJVZVMNDNGQ-WDEREUQCSA-N -1 0 367.449 -0.161 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CC[C@@H](C2CC2)C1)[N-]c1nc[nH]n1 ZINC000349491471 484166550 /nfs/dbraw/zinc/16/65/50/484166550.db2.gz HWFFTWOAWHIDTB-LLVKDONJSA-N -1 0 363.465 -0.002 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CC[C@H](C2CC2)C1)[N-]c1nc[nH]n1 ZINC000349491472 484166114 /nfs/dbraw/zinc/16/61/14/484166114.db2.gz HWFFTWOAWHIDTB-NSHDSACASA-N -1 0 363.465 -0.002 20 0 FBADRM CN(Cc1ccc[nH]1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349491486 484561135 /nfs/dbraw/zinc/56/11/35/484561135.db2.gz HYOXIRAETIMEHY-UHFFFAOYSA-N -1 0 362.437 -0.274 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C2CC(O)C2)no1 ZINC000349492712 484560753 /nfs/dbraw/zinc/56/07/53/484560753.db2.gz JPSAKOWHFUOJAA-UHFFFAOYSA-N -1 0 367.449 -0.100 20 0 FBADRM C[C@@H](O)[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C1 ZINC000349493296 484165762 /nfs/dbraw/zinc/16/57/62/484165762.db2.gz ALVLJISZBYTASP-GHMZBOCLSA-N -1 0 367.449 -0.161 20 0 FBADRM C[C@@H](O)[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C1 ZINC000349493297 484166762 /nfs/dbraw/zinc/16/67/62/484166762.db2.gz ALVLJISZBYTASP-MNOVXSKESA-N -1 0 367.449 -0.161 20 0 FBADRM C[C@H](O)[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C1 ZINC000349493298 484166095 /nfs/dbraw/zinc/16/60/95/484166095.db2.gz ALVLJISZBYTASP-QWRGUYRKSA-N -1 0 367.449 -0.161 20 0 FBADRM C[C@H](O)[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C1 ZINC000349493299 484165570 /nfs/dbraw/zinc/16/55/70/484165570.db2.gz ALVLJISZBYTASP-WDEREUQCSA-N -1 0 367.449 -0.161 20 0 FBADRM C[C@H]1CCOCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349493545 660103252 /nfs/dbraw/zinc/10/32/52/660103252.db2.gz MOVRKFKAUHFKRB-JTQLQIEISA-N -1 0 367.453 -0.623 20 0 FBADRM C[C@@H]1CCOCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349493546 660103264 /nfs/dbraw/zinc/10/32/64/660103264.db2.gz MOVRKFKAUHFKRB-SNVBAGLBSA-N -1 0 367.453 -0.623 20 0 FBADRM COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2noc(C)n2)C1 ZINC000349493678 484166456 /nfs/dbraw/zinc/16/64/56/484166456.db2.gz AZASMKOWTFAOOE-UHFFFAOYSA-N -1 0 354.410 -0.830 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N(C1CC1)C1COC1)[N-]c1ccon1 ZINC000349493785 484166296 /nfs/dbraw/zinc/16/62/96/484166296.db2.gz KLGRQGZDYPMTEX-UHFFFAOYSA-N -1 0 365.433 -0.001 20 0 FBADRM CN([C@@H]1CC1(C)C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349494103 485256745 /nfs/dbraw/zinc/25/67/45/485256745.db2.gz NNLHNDTXUPLZFZ-SECBINFHSA-N -1 0 351.454 -0.003 20 0 FBADRM CN([C@H]1CC1(C)C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349494104 485256889 /nfs/dbraw/zinc/25/68/89/485256889.db2.gz NNLHNDTXUPLZFZ-VIFPVBQESA-N -1 0 351.454 -0.003 20 0 FBADRM CN(CC(C)(C)O)S(=O)(=O)CCCS(=O)(=O)[N-]c1nncs1 ZINC000349494473 484166357 /nfs/dbraw/zinc/16/63/57/484166357.db2.gz COYWMOWZBMIWAN-UHFFFAOYSA-N -1 0 372.494 -0.298 20 0 FBADRM CC[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000349494528 484166340 /nfs/dbraw/zinc/16/63/40/484166340.db2.gz KTHLAFWLTGWEEP-JTQLQIEISA-N -1 0 351.454 -0.002 20 0 FBADRM CC[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000349494529 484166536 /nfs/dbraw/zinc/16/65/36/484166536.db2.gz KTHLAFWLTGWEEP-SNVBAGLBSA-N -1 0 351.454 -0.002 20 0 FBADRM C[C@@H]1COCCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000349494631 660103263 /nfs/dbraw/zinc/10/32/63/660103263.db2.gz NRNMRPLXFPDZPJ-JTQLQIEISA-N -1 0 367.453 -0.765 20 0 FBADRM C[C@H]1COCCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000349494632 660103249 /nfs/dbraw/zinc/10/32/49/660103249.db2.gz NRNMRPLXFPDZPJ-SNVBAGLBSA-N -1 0 367.453 -0.765 20 0 FBADRM CN(C)C1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nccs2)C1 ZINC000349495408 484165635 /nfs/dbraw/zinc/16/56/35/484165635.db2.gz FIEJAIFFWAOTGS-UHFFFAOYSA-N -1 0 368.506 -0.150 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H]3CCC[C@H]32)nn1 ZINC000349495890 484166307 /nfs/dbraw/zinc/16/63/07/484166307.db2.gz GFDQYDNNGORFLP-GHMZBOCLSA-N -1 0 363.465 -0.239 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H]3CCC[C@@H]32)nn1 ZINC000349495892 484166257 /nfs/dbraw/zinc/16/62/57/484166257.db2.gz GFDQYDNNGORFLP-MNOVXSKESA-N -1 0 363.465 -0.239 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H]3CCC[C@@H]32)nn1 ZINC000349495893 484166478 /nfs/dbraw/zinc/16/64/78/484166478.db2.gz GFDQYDNNGORFLP-QWRGUYRKSA-N -1 0 363.465 -0.239 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H]3CCC[C@H]32)nn1 ZINC000349495894 484166422 /nfs/dbraw/zinc/16/64/22/484166422.db2.gz GFDQYDNNGORFLP-WDEREUQCSA-N -1 0 363.465 -0.239 20 0 FBADRM C[C@]1(CO)CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349496023 484166241 /nfs/dbraw/zinc/16/62/41/484166241.db2.gz OVSIGUHIHIHHPT-LLVKDONJSA-N -1 0 367.453 -0.887 20 0 FBADRM C[C@@]1(CO)CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349496025 484165907 /nfs/dbraw/zinc/16/59/07/484165907.db2.gz OVSIGUHIHIHHPT-NSHDSACASA-N -1 0 367.453 -0.887 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCOC1)[N-]c1nnc(C2CC2)o1 ZINC000349496145 484166732 /nfs/dbraw/zinc/16/67/32/484166732.db2.gz ADIZBMAGJYPLDV-UHFFFAOYSA-N -1 0 366.421 -0.302 20 0 FBADRM COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncc(C)cn2)C1 ZINC000349496847 660103215 /nfs/dbraw/zinc/10/32/15/660103215.db2.gz HGVJPUSTNFSHAX-UHFFFAOYSA-N -1 0 364.449 -0.423 20 0 FBADRM COC[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349497211 485256818 /nfs/dbraw/zinc/25/68/18/485256818.db2.gz NISPIWDBJSIHQG-JTQLQIEISA-N -1 0 367.453 -0.623 20 0 FBADRM COC[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349497213 485257287 /nfs/dbraw/zinc/25/72/87/485257287.db2.gz NISPIWDBJSIHQG-SNVBAGLBSA-N -1 0 367.453 -0.623 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncn(C)n2)C[C@H]1C ZINC000349497626 484168159 /nfs/dbraw/zinc/16/81/59/484168159.db2.gz QCRAFRKXTSGTFN-GHMZBOCLSA-N -1 0 365.481 -0.136 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncn(C)n2)C[C@H]1C ZINC000349497627 484167570 /nfs/dbraw/zinc/16/75/70/484167570.db2.gz QCRAFRKXTSGTFN-PHIMTYICSA-N -1 0 365.481 -0.136 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncn(C)n2)C[C@@H]1C ZINC000349497629 484167092 /nfs/dbraw/zinc/16/70/92/484167092.db2.gz QCRAFRKXTSGTFN-QWRGUYRKSA-N -1 0 365.481 -0.136 20 0 FBADRM CO[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C1 ZINC000349498187 484167786 /nfs/dbraw/zinc/16/77/86/484167786.db2.gz BXTNVEDMSFCCNW-JTQLQIEISA-N -1 0 353.422 -0.143 20 0 FBADRM CO[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C1 ZINC000349498191 660103439 /nfs/dbraw/zinc/10/34/39/660103439.db2.gz BXTNVEDMSFCCNW-SNVBAGLBSA-N -1 0 353.422 -0.143 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C1CC(O)C1 ZINC000349498410 484167996 /nfs/dbraw/zinc/16/79/96/484167996.db2.gz ONSSSFCAULCKOQ-UHFFFAOYSA-N -1 0 367.449 -0.100 20 0 FBADRM CN(CC(C)(C)O)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000349498488 484167859 /nfs/dbraw/zinc/16/78/59/484167859.db2.gz JEIHTUFKRFSGHH-UHFFFAOYSA-N -1 0 366.465 -0.359 20 0 FBADRM COC1(C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2noc(C)n2)C1 ZINC000349498846 484167221 /nfs/dbraw/zinc/16/72/21/484167221.db2.gz AXAKRRIXNXLFIP-UHFFFAOYSA-N -1 0 368.437 -0.440 20 0 FBADRM CCOC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C1 ZINC000349498847 484167126 /nfs/dbraw/zinc/16/71/26/484167126.db2.gz AXCUOEUBPHHYMC-UHFFFAOYSA-N -1 0 353.422 -0.143 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCOC1)[N-]c1noc(C2CC2)n1 ZINC000349498890 484167407 /nfs/dbraw/zinc/16/74/07/484167407.db2.gz BFQZWVYYWUACKT-UHFFFAOYSA-N -1 0 366.421 -0.302 20 0 FBADRM CN(C)C1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccn(C)n2)C1 ZINC000349498945 484168064 /nfs/dbraw/zinc/16/80/64/484168064.db2.gz JQFGNPNCEMGGPZ-UHFFFAOYSA-N -1 0 365.481 -0.873 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncn(C)n2)C1 ZINC000349498975 484167653 /nfs/dbraw/zinc/16/76/53/484167653.db2.gz DRUHYUOKKSMTDX-JTQLQIEISA-N -1 0 351.454 -0.382 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncn(C)n2)C1 ZINC000349498976 484167248 /nfs/dbraw/zinc/16/72/48/484167248.db2.gz DRUHYUOKKSMTDX-SNVBAGLBSA-N -1 0 351.454 -0.382 20 0 FBADRM C[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cn(C)nn1 ZINC000349498978 484167134 /nfs/dbraw/zinc/16/71/34/484167134.db2.gz DRZWDAZWVBARQB-JTQLQIEISA-N -1 0 351.454 -0.239 20 0 FBADRM C[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cn(C)nn1 ZINC000349498979 484167211 /nfs/dbraw/zinc/16/72/11/484167211.db2.gz DRZWDAZWVBARQB-SNVBAGLBSA-N -1 0 351.454 -0.239 20 0 FBADRM CN(C1CC(O)C1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nncs1 ZINC000349499209 484167844 /nfs/dbraw/zinc/16/78/44/484167844.db2.gz PFSUFDNRDWDUKF-UHFFFAOYSA-N -1 0 370.478 -0.545 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cn(C)nn2)C[C@H]1C ZINC000349499265 485256966 /nfs/dbraw/zinc/25/69/66/485256966.db2.gz RWBXNMIJKZNYNX-GHMZBOCLSA-N -1 0 365.481 -0.136 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cn(C)nn2)C[C@H]1C ZINC000349499266 485257278 /nfs/dbraw/zinc/25/72/78/485257278.db2.gz RWBXNMIJKZNYNX-PHIMTYICSA-N -1 0 365.481 -0.136 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cn(C)nn2)C[C@@H]1C ZINC000349499267 485256905 /nfs/dbraw/zinc/25/69/05/485256905.db2.gz RWBXNMIJKZNYNX-QWRGUYRKSA-N -1 0 365.481 -0.136 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2CF)n1 ZINC000349499272 484167970 /nfs/dbraw/zinc/16/79/70/484167970.db2.gz RWWDHGVUYVFIJF-JTQLQIEISA-N -1 0 369.444 -0.289 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2CF)n1 ZINC000349499273 484168025 /nfs/dbraw/zinc/16/80/25/484168025.db2.gz RWWDHGVUYVFIJF-SNVBAGLBSA-N -1 0 369.444 -0.289 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2CF)nn1 ZINC000349499907 484168152 /nfs/dbraw/zinc/16/81/52/484168152.db2.gz SGDSXBMUWGBBNQ-JTQLQIEISA-N -1 0 369.444 -0.289 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2CF)nn1 ZINC000349499908 484167664 /nfs/dbraw/zinc/16/76/64/484167664.db2.gz SGDSXBMUWGBBNQ-SNVBAGLBSA-N -1 0 369.444 -0.289 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCC[C@@H](O)CC1)[N-]c1ccon1 ZINC000349499974 484562485 /nfs/dbraw/zinc/56/24/85/484562485.db2.gz CBPPKLSNDVUVGR-LLVKDONJSA-N -1 0 367.449 -0.017 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCC[C@H](O)CC1)[N-]c1ccon1 ZINC000349499975 484562952 /nfs/dbraw/zinc/56/29/52/484562952.db2.gz CBPPKLSNDVUVGR-NSHDSACASA-N -1 0 367.449 -0.017 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)(F)F)C[C@@H]1O ZINC000349500024 485256760 /nfs/dbraw/zinc/25/67/60/485256760.db2.gz CNNDKYKISUIAOR-BDAKNGLRSA-N -1 0 368.399 -0.499 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)(F)F)C[C@H]1O ZINC000349500025 485257351 /nfs/dbraw/zinc/25/73/51/485257351.db2.gz CNNDKYKISUIAOR-DTWKUNHWSA-N -1 0 368.399 -0.499 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)(F)F)C[C@@H]1O ZINC000349500026 485257547 /nfs/dbraw/zinc/25/75/47/485257547.db2.gz CNNDKYKISUIAOR-IUCAKERBSA-N -1 0 368.399 -0.499 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)(F)F)C[C@H]1O ZINC000349500027 485257158 /nfs/dbraw/zinc/25/71/58/485257158.db2.gz CNNDKYKISUIAOR-RKDXNWHRSA-N -1 0 368.399 -0.499 20 0 FBADRM CN(C)C1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)C1 ZINC000349500195 484167325 /nfs/dbraw/zinc/16/73/25/484167325.db2.gz KZDWLUUZEWMEKW-UHFFFAOYSA-N -1 0 363.465 -0.816 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cn(C)nn2)C1 ZINC000349500412 484562740 /nfs/dbraw/zinc/56/27/40/484562740.db2.gz GTAUWIHDIKLSTC-JTQLQIEISA-N -1 0 351.454 -0.382 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cn(C)nn2)C1 ZINC000349500413 484562285 /nfs/dbraw/zinc/56/22/85/484562285.db2.gz GTAUWIHDIKLSTC-SNVBAGLBSA-N -1 0 351.454 -0.382 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(CO)C2)no1 ZINC000349500475 484167754 /nfs/dbraw/zinc/16/77/54/484167754.db2.gz DWEBLJNTTLPNNM-UHFFFAOYSA-N -1 0 368.437 -0.982 20 0 FBADRM Cc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOC2)s1 ZINC000349500535 484167804 /nfs/dbraw/zinc/16/78/04/484167804.db2.gz FJSYQFGGYIONOR-UHFFFAOYSA-N -1 0 370.478 -0.012 20 0 FBADRM CN(C1CCC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1cn(C)nn1 ZINC000349500723 484562049 /nfs/dbraw/zinc/56/20/49/484562049.db2.gz DAAPHLOLPGVVBC-UHFFFAOYSA-N -1 0 351.454 -0.239 20 0 FBADRM NC(=O)[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349500850 484562906 /nfs/dbraw/zinc/56/29/06/484562906.db2.gz HCVBWCXWZFFMRE-SECBINFHSA-N -1 0 366.421 -0.914 20 0 FBADRM CO[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)C1 ZINC000349501152 660103428 /nfs/dbraw/zinc/10/34/28/660103428.db2.gz FOGRIDHAWHZICT-LLVKDONJSA-N -1 0 364.449 -0.341 20 0 FBADRM CO[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)C1 ZINC000349501153 484167366 /nfs/dbraw/zinc/16/73/66/484167366.db2.gz FOGRIDHAWHZICT-NSHDSACASA-N -1 0 364.449 -0.341 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)CC(C)(C)O)no1 ZINC000349501328 484168167 /nfs/dbraw/zinc/16/81/67/484168167.db2.gz MXPWWFBODOQJPQ-UHFFFAOYSA-N -1 0 370.453 -0.458 20 0 FBADRM CN(C)C1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nncs2)C1 ZINC000349501766 484167158 /nfs/dbraw/zinc/16/71/58/484167158.db2.gz NDYMRXDYGXXMEM-UHFFFAOYSA-N -1 0 369.494 -0.755 20 0 FBADRM CN(C)C1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C1 ZINC000349501780 484167982 /nfs/dbraw/zinc/16/79/82/484167982.db2.gz NGPJRWYGUHCDND-UHFFFAOYSA-N -1 0 352.438 -0.618 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)CCF)nn1C ZINC000349501813 484168139 /nfs/dbraw/zinc/16/81/39/484168139.db2.gz NOJCFJLBFQBJII-UHFFFAOYSA-N -1 0 357.433 -0.514 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C[C@H]1C ZINC000349502399 484167950 /nfs/dbraw/zinc/16/79/50/484167950.db2.gz GRIHUGDAUFRKGY-AOOOYVTPSA-N -1 0 351.454 -0.146 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C[C@H]1C ZINC000349502402 484167442 /nfs/dbraw/zinc/16/74/42/484167442.db2.gz GRIHUGDAUFRKGY-NXEZZACHSA-N -1 0 351.454 -0.146 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C[C@@H]1C ZINC000349502404 484169631 /nfs/dbraw/zinc/16/96/31/484169631.db2.gz GRIHUGDAUFRKGY-UWVGGRQHSA-N -1 0 351.454 -0.146 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](F)C2)nn1C ZINC000349502614 485257202 /nfs/dbraw/zinc/25/72/02/485257202.db2.gz JIWLCYCXIBXVAH-JTQLQIEISA-N -1 0 369.444 -0.371 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](F)C2)nn1C ZINC000349502615 485257339 /nfs/dbraw/zinc/25/73/39/485257339.db2.gz JIWLCYCXIBXVAH-SNVBAGLBSA-N -1 0 369.444 -0.371 20 0 FBADRM COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nnc(C)s2)C1 ZINC000349502645 484168846 /nfs/dbraw/zinc/16/88/46/484168846.db2.gz JOIXMJBILQIZAO-UHFFFAOYSA-N -1 0 370.478 -0.361 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(N(C)C)C1 ZINC000349502710 485257451 /nfs/dbraw/zinc/25/74/51/485257451.db2.gz OMCNKSBGOZWVLB-UHFFFAOYSA-N -1 0 366.465 -0.310 20 0 FBADRM CN(CC1CC(O)C1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349503510 484562455 /nfs/dbraw/zinc/56/24/55/484562455.db2.gz VGMQKVWGLMUQMA-UHFFFAOYSA-N -1 0 367.449 -0.161 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](C)C2)nn1C ZINC000349503763 484169465 /nfs/dbraw/zinc/16/94/65/484169465.db2.gz LAIZLPNHNGFSTH-JTQLQIEISA-N -1 0 365.481 -0.073 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](C)C2)nn1C ZINC000349503764 484168993 /nfs/dbraw/zinc/16/89/93/484168993.db2.gz LAIZLPNHNGFSTH-SNVBAGLBSA-N -1 0 365.481 -0.073 20 0 FBADRM CN(C1CC(O)C1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000349503848 484169496 /nfs/dbraw/zinc/16/94/96/484169496.db2.gz RXGWCTFHOZDQDB-UHFFFAOYSA-N -1 0 366.465 -0.663 20 0 FBADRM CN(Cc1cc[nH]n1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349504255 485258439 /nfs/dbraw/zinc/25/84/39/485258439.db2.gz MFFVRLUMDSFTAA-UHFFFAOYSA-N -1 0 363.421 -0.009 20 0 FBADRM CC1=CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncn(C)n2)CC1 ZINC000349504452 484564174 /nfs/dbraw/zinc/56/41/74/484564174.db2.gz ILOXXCGTLLMTSM-UHFFFAOYSA-N -1 0 363.465 -0.071 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(CO)C2)nc1 ZINC000349504646 660103535 /nfs/dbraw/zinc/10/35/35/660103535.db2.gz JICQQRWQYSMITI-UHFFFAOYSA-N -1 0 364.449 -0.829 20 0 FBADRM COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccn(C)n2)C1 ZINC000349504870 485258196 /nfs/dbraw/zinc/25/81/96/485258196.db2.gz MOZOSFMJERAMCA-UHFFFAOYSA-N -1 0 352.438 -0.788 20 0 FBADRM COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nccs2)C1 ZINC000349504907 484168538 /nfs/dbraw/zinc/16/85/38/484168538.db2.gz MPZGKNQCGOPWIE-UHFFFAOYSA-N -1 0 355.463 -0.065 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(OC)C2)no1 ZINC000349505023 485258591 /nfs/dbraw/zinc/25/85/91/485258591.db2.gz NBRLPZFEJSZDGD-UHFFFAOYSA-N -1 0 368.437 -0.576 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOC2)no1 ZINC000349505701 484169445 /nfs/dbraw/zinc/16/94/45/484169445.db2.gz JYVLJGGWJSLDLT-UHFFFAOYSA-N -1 0 354.410 -0.481 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(N(C)C)C2)no1 ZINC000349505820 660353304 /nfs/dbraw/zinc/35/33/04/660353304.db2.gz SKDCXFQVDWBOAK-UHFFFAOYSA-N -1 0 367.453 -0.915 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](F)C2)n[nH]1 ZINC000349506083 846214143 /nfs/dbraw/zinc/21/41/43/846214143.db2.gz OQWODKHIGQVFBG-VIFPVBQESA-N -1 0 369.444 -0.128 20 0 FBADRM CCc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(OC)C2)o1 ZINC000349506301 484168492 /nfs/dbraw/zinc/16/84/92/484168492.db2.gz SWXUECXYDIXZIY-UHFFFAOYSA-N -1 0 368.437 -0.576 20 0 FBADRM CN(CC(C)(C)O)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349506318 484169427 /nfs/dbraw/zinc/16/94/27/484169427.db2.gz SYHAUOTYZKVUQD-UHFFFAOYSA-N -1 0 355.438 -0.161 20 0 FBADRM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(CO)C2)n1 ZINC000349506993 484563990 /nfs/dbraw/zinc/56/39/90/484563990.db2.gz KPSFBEMMJHTJTM-UHFFFAOYSA-N -1 0 364.449 -0.829 20 0 FBADRM CCCc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)o1 ZINC000349507066 484169331 /nfs/dbraw/zinc/16/93/31/484169331.db2.gz LAUBGVWLIVDUQO-UHFFFAOYSA-N -1 0 368.437 -0.227 20 0 FBADRM CN(C1CC(O)C1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000349507269 484168764 /nfs/dbraw/zinc/16/87/64/484168764.db2.gz VJWVBNSOZIHOTH-UHFFFAOYSA-N -1 0 364.449 -0.607 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCCOC1)[N-]c1ncccn1 ZINC000349507573 484169382 /nfs/dbraw/zinc/16/93/82/484169382.db2.gz LLKJUHKHYPQIGS-UHFFFAOYSA-N -1 0 350.422 -0.382 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOC2)n1 ZINC000349507608 484169343 /nfs/dbraw/zinc/16/93/43/484169343.db2.gz LOQNDZXOHALHBO-UHFFFAOYSA-N -1 0 352.438 -0.439 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(CO)C2)s1 ZINC000349507614 484563741 /nfs/dbraw/zinc/56/37/41/484563741.db2.gz LOSZTGSHMRBPSF-UHFFFAOYSA-N -1 0 369.490 -0.163 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCCOC1)[N-]c1nncs1 ZINC000349507695 484168507 /nfs/dbraw/zinc/16/85/07/484168507.db2.gz LYULURHXYWBQJD-UHFFFAOYSA-N -1 0 356.451 -0.321 20 0 FBADRM C[C@@H]([N-]S(=O)(=O)CCCS(=O)(=O)N1CCOC1)C(F)(F)F ZINC000349508483 484168780 /nfs/dbraw/zinc/16/87/80/484168780.db2.gz MZJIIWJOMVNYOE-MRVPVSSYSA-N -1 0 354.372 -0.134 20 0 FBADRM C[C@H]([N-]S(=O)(=O)CCCS(=O)(=O)N1CCOC1)C(F)(F)F ZINC000349508484 484168794 /nfs/dbraw/zinc/16/87/94/484168794.db2.gz MZJIIWJOMVNYOE-QMMMGPOBSA-N -1 0 354.372 -0.134 20 0 FBADRM COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)C1 ZINC000349508675 484564201 /nfs/dbraw/zinc/56/42/01/484564201.db2.gz XGDWEMYPXLTFEX-UHFFFAOYSA-N -1 0 350.422 -0.731 20 0 FBADRM C[C@@H]1C(=O)N(C)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349508788 485258622 /nfs/dbraw/zinc/25/86/22/485258622.db2.gz ZMSOYZTZHSEBSC-SECBINFHSA-N -1 0 366.421 -0.744 20 0 FBADRM C[C@H]1C(=O)N(C)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349508789 485258043 /nfs/dbraw/zinc/25/80/43/485258043.db2.gz ZMSOYZTZHSEBSC-VIFPVBQESA-N -1 0 366.421 -0.744 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(OC)C2)n[nH]1 ZINC000349508962 484169080 /nfs/dbraw/zinc/16/90/80/484169080.db2.gz YAMSCWQKYHGIAJ-UHFFFAOYSA-N -1 0 367.453 -0.841 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1C[C@H]2CCC[C@@H]2C1)[N-]c1nc[nH]n1 ZINC000349509488 484168950 /nfs/dbraw/zinc/16/89/50/484168950.db2.gz YPCMKNMKFYUSLX-GHMZBOCLSA-N -1 0 363.465 -0.002 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)[N-]c1nc[nH]n1 ZINC000349509489 484169013 /nfs/dbraw/zinc/16/90/13/484169013.db2.gz YPCMKNMKFYUSLX-PHIMTYICSA-N -1 0 363.465 -0.002 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1C[C@@H]2CCC[C@H]2C1)[N-]c1nc[nH]n1 ZINC000349509490 484168872 /nfs/dbraw/zinc/16/88/72/484168872.db2.gz YPCMKNMKFYUSLX-QWRGUYRKSA-N -1 0 363.465 -0.002 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(N(C)C)C2)no1 ZINC000349509810 484564007 /nfs/dbraw/zinc/56/40/07/484564007.db2.gz ZFKBFDSPSBEDRK-UHFFFAOYSA-N -1 0 366.465 -0.310 20 0 FBADRM CN(CC(C)(C)O)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000349509825 484169279 /nfs/dbraw/zinc/16/92/79/484169279.db2.gz ZGGHXXFVQJJYAV-UHFFFAOYSA-N -1 0 368.481 -0.416 20 0 FBADRM CC(C)n1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)n1 ZINC000349510099 485258474 /nfs/dbraw/zinc/25/84/74/485258474.db2.gz OHMOZYNJJLIBTA-UHFFFAOYSA-N -1 0 367.453 -0.390 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(CO)C2)no1 ZINC000349510185 485258030 /nfs/dbraw/zinc/25/80/30/485258030.db2.gz OTIMIFZTEXHAQL-UHFFFAOYSA-N -1 0 353.422 -0.631 20 0 FBADRM COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cc(C)on2)C1 ZINC000349510236 484169624 /nfs/dbraw/zinc/16/96/24/484169624.db2.gz PUCVIXZCAFZDSJ-UHFFFAOYSA-N -1 0 353.422 -0.225 20 0 FBADRM COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nocc2C)C1 ZINC000349510270 484168932 /nfs/dbraw/zinc/16/89/32/484168932.db2.gz PXZOYXWZGHDLNP-UHFFFAOYSA-N -1 0 353.422 -0.225 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](F)C2)n1 ZINC000349510346 485258119 /nfs/dbraw/zinc/25/81/19/485258119.db2.gz QIYOBBWIGDPQFT-JTQLQIEISA-N -1 0 354.429 -0.075 20 0 FBADRM CCc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(CO)C2)no1 ZINC000349511190 485257119 /nfs/dbraw/zinc/25/71/19/485257119.db2.gz QFUKQICNATYCDD-UHFFFAOYSA-N -1 0 367.449 -0.377 20 0 FBADRM CO[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccn(C)n2)C1 ZINC000349511195 660103503 /nfs/dbraw/zinc/10/35/03/660103503.db2.gz QGUXQODNGGKZHD-LLVKDONJSA-N -1 0 366.465 -0.398 20 0 FBADRM CO[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccn(C)n2)C1 ZINC000349511196 484564143 /nfs/dbraw/zinc/56/41/43/484564143.db2.gz QGUXQODNGGKZHD-NSHDSACASA-N -1 0 366.465 -0.398 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](F)C2)n1 ZINC000349511634 485258732 /nfs/dbraw/zinc/25/87/32/485258732.db2.gz SVTXLVYUEPBUMM-SECBINFHSA-N -1 0 355.417 -0.680 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](F)C2)n1 ZINC000349511635 485258269 /nfs/dbraw/zinc/25/82/69/485258269.db2.gz SVTXLVYUEPBUMM-VIFPVBQESA-N -1 0 355.417 -0.680 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOC2)n[nH]1 ZINC000349511771 484168478 /nfs/dbraw/zinc/16/84/78/484168478.db2.gz QVMSUWRLWQXRNX-UHFFFAOYSA-N -1 0 367.453 -0.492 20 0 FBADRM CO[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2noc(C)n2)C1 ZINC000349511854 484170052 /nfs/dbraw/zinc/17/00/52/484170052.db2.gz RIZSLHQZZJAZBV-JTQLQIEISA-N -1 0 368.437 -0.440 20 0 FBADRM COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nncs2)C1 ZINC000349512126 484170105 /nfs/dbraw/zinc/17/01/05/484170105.db2.gz UVEGWKXISFLXEJ-UHFFFAOYSA-N -1 0 356.451 -0.670 20 0 FBADRM CO[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2noc(C)n2)C1 ZINC000349512355 660103446 /nfs/dbraw/zinc/10/34/46/660103446.db2.gz RIZSLHQZZJAZBV-SNVBAGLBSA-N -1 0 368.437 -0.440 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCCOC1)[N-]CC(F)(F)F ZINC000349512379 484170800 /nfs/dbraw/zinc/17/08/00/484170800.db2.gz RNETZINKZXJXPY-UHFFFAOYSA-N -1 0 354.372 -0.132 20 0 FBADRM C[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1 ZINC000349513098 484170222 /nfs/dbraw/zinc/17/02/22/484170222.db2.gz WWJCNQORKVIVJK-JTQLQIEISA-N -1 0 351.454 -0.239 20 0 FBADRM C[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1 ZINC000349513099 484170433 /nfs/dbraw/zinc/17/04/33/484170433.db2.gz WWJCNQORKVIVJK-SNVBAGLBSA-N -1 0 351.454 -0.239 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CC[C@H](O)C1)[N-]CC(F)(F)F ZINC000349513113 485258354 /nfs/dbraw/zinc/25/83/54/485258354.db2.gz AEMLKDJUKIIXNF-QMMMGPOBSA-N -1 0 354.372 -0.745 20 0 FBADRM CN(CC(F)F)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1 ZINC000349513175 484564350 /nfs/dbraw/zinc/56/43/50/484564350.db2.gz AWWYPZLKMNEKQM-UHFFFAOYSA-N -1 0 361.396 -0.526 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](F)C2)no1 ZINC000349513339 485258685 /nfs/dbraw/zinc/25/86/85/485258685.db2.gz XFBFCAYWFVULBO-SECBINFHSA-N -1 0 356.401 -0.117 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](F)C2)no1 ZINC000349513341 485258609 /nfs/dbraw/zinc/25/86/09/485258609.db2.gz XFBFCAYWFVULBO-VIFPVBQESA-N -1 0 356.401 -0.117 20 0 FBADRM C[C@@H](N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1)C(C)(C)O ZINC000349513421 484170850 /nfs/dbraw/zinc/17/08/50/484170850.db2.gz UBOFZWYFRPMRCK-SECBINFHSA-N -1 0 369.469 -0.643 20 0 FBADRM C[C@H](N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1)C(C)(C)O ZINC000349513422 484170478 /nfs/dbraw/zinc/17/04/78/484170478.db2.gz UBOFZWYFRPMRCK-VIFPVBQESA-N -1 0 369.469 -0.643 20 0 FBADRM CN(CC(N)=O)S(=O)(=O)CCCS(=O)(=O)[N-]c1nccs1 ZINC000349513439 484564633 /nfs/dbraw/zinc/56/46/33/484564633.db2.gz BDKVPUMWAMFIFJ-UHFFFAOYSA-N -1 0 356.451 -0.978 20 0 FBADRM CCc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOC2)o1 ZINC000349513521 484564433 /nfs/dbraw/zinc/56/44/33/484564433.db2.gz UTAUKWPQRPXKEQ-UHFFFAOYSA-N -1 0 368.437 -0.227 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C2CC2)nn1C ZINC000349513559 484564669 /nfs/dbraw/zinc/56/46/69/484564669.db2.gz BSHLVRBBECVLOO-UHFFFAOYSA-N -1 0 351.454 -0.321 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](C)C2)nnn1C ZINC000349513602 484170086 /nfs/dbraw/zinc/17/00/86/484170086.db2.gz XQAAPBPNPXSASA-JTQLQIEISA-N -1 0 365.481 -0.073 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](C)C2)nnn1C ZINC000349513604 484170206 /nfs/dbraw/zinc/17/02/06/484170206.db2.gz XQAAPBPNPXSASA-SNVBAGLBSA-N -1 0 365.481 -0.073 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)CC(N)=O)s1 ZINC000349513630 484564271 /nfs/dbraw/zinc/56/42/71/484564271.db2.gz CADSLXXVDRPEGD-UHFFFAOYSA-N -1 0 370.478 -0.670 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOC2)no1 ZINC000349514437 484170904 /nfs/dbraw/zinc/17/09/04/484170904.db2.gz UYQLITNPJRJCCA-UHFFFAOYSA-N -1 0 368.437 -0.227 20 0 FBADRM Cc1csc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(CO)C2)n1 ZINC000349514581 484170817 /nfs/dbraw/zinc/17/08/17/484170817.db2.gz VITQZJPDCAAGTL-UHFFFAOYSA-N -1 0 369.490 -0.163 20 0 FBADRM Cc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(CO)C2)s1 ZINC000349514648 484171086 /nfs/dbraw/zinc/17/10/86/484171086.db2.gz VNSATBDFOQDCDI-UHFFFAOYSA-N -1 0 370.478 -0.768 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CC[C@@H](O)C1)[N-]c1nccs1 ZINC000349514673 485259089 /nfs/dbraw/zinc/25/90/89/485259089.db2.gz ABZABXWMZXDYQE-SECBINFHSA-N -1 0 355.463 -0.329 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CC[C@@H](O)C1)[N-]CC(F)(F)F ZINC000349514690 484170959 /nfs/dbraw/zinc/17/09/59/484170959.db2.gz AEMLKDJUKIIXNF-MRVPVSSYSA-N -1 0 354.372 -0.745 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOCC2)no1 ZINC000349514736 484171079 /nfs/dbraw/zinc/17/10/79/484171079.db2.gz AOZRQVHOXHBTQH-UHFFFAOYSA-N -1 0 368.437 -0.438 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCOC1)[N-]c1cc2ccccn2n1 ZINC000349514963 484381037 /nfs/dbraw/zinc/38/10/37/484381037.db2.gz VYMQTMWMCPIKLI-UHFFFAOYSA-N -1 0 374.444 0.086 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)CC2CC2)nn1C ZINC000349515229 484170871 /nfs/dbraw/zinc/17/08/71/484170871.db2.gz GMQLORNOIXRCFW-UHFFFAOYSA-N -1 0 365.481 -0.073 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCC[C@H]1CO)[N-]c1ccon1 ZINC000349515282 484170592 /nfs/dbraw/zinc/17/05/92/484170592.db2.gz GUPLGYYJBOGLKE-JTQLQIEISA-N -1 0 353.422 -0.407 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCC[C@@H]1CO)[N-]c1ccon1 ZINC000349515285 484170455 /nfs/dbraw/zinc/17/04/55/484170455.db2.gz GUPLGYYJBOGLKE-SNVBAGLBSA-N -1 0 353.422 -0.407 20 0 FBADRM CN(C1CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc2ncccn2n1 ZINC000349515314 484117871 /nfs/dbraw/zinc/11/78/71/484117871.db2.gz GXACWFPRIXGEAM-UHFFFAOYSA-N -1 0 374.448 -0.320 20 0 FBADRM C[C@@H]([N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](O)C1)C(F)(F)F ZINC000349516188 484170423 /nfs/dbraw/zinc/17/04/23/484170423.db2.gz IZYOEYJEWJXIKC-BDAKNGLRSA-N -1 0 368.399 -0.357 20 0 FBADRM C[C@H]([N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](O)C1)C(F)(F)F ZINC000349516190 484170371 /nfs/dbraw/zinc/17/03/71/484170371.db2.gz IZYOEYJEWJXIKC-IUCAKERBSA-N -1 0 368.399 -0.357 20 0 FBADRM CC(C)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cn(C)nn1 ZINC000349516363 485259116 /nfs/dbraw/zinc/25/91/16/485259116.db2.gz CQNAGRREBIKHIX-UHFFFAOYSA-N -1 0 353.470 -0.136 20 0 FBADRM CCCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nnn(C)c1C ZINC000349516459 484170398 /nfs/dbraw/zinc/17/03/98/484170398.db2.gz DDVXTEXGGBPBMW-UHFFFAOYSA-N -1 0 353.470 -0.073 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCCOCC1)[N-]CC(F)(F)F ZINC000349516461 484565383 /nfs/dbraw/zinc/56/53/83/484565383.db2.gz DEEAUTLRXLSVLR-UHFFFAOYSA-N -1 0 368.399 -0.090 20 0 FBADRM CC1=CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cn(C)nn2)CC1 ZINC000349516769 484565964 /nfs/dbraw/zinc/56/59/64/484565964.db2.gz YLSDFDQWDLKJFW-UHFFFAOYSA-N -1 0 363.465 -0.071 20 0 FBADRM Cc1csc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)CC(N)=O)n1 ZINC000349516888 484170721 /nfs/dbraw/zinc/17/07/21/484170721.db2.gz KDKQQHVUMYPSPY-UHFFFAOYSA-N -1 0 370.478 -0.670 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2CO)no1 ZINC000349517080 484169953 /nfs/dbraw/zinc/16/99/53/484169953.db2.gz LHUQROZXEZXBAG-LLVKDONJSA-N -1 0 367.449 -0.099 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2CO)no1 ZINC000349517082 484170515 /nfs/dbraw/zinc/17/05/15/484170515.db2.gz LHUQROZXEZXBAG-NSHDSACASA-N -1 0 367.449 -0.099 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)no1 ZINC000349517145 484566026 /nfs/dbraw/zinc/56/60/26/484566026.db2.gz FFLSDYHDEDXVCW-SECBINFHSA-N -1 0 368.437 -0.840 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CC[C@H](O)C1)[N-]c1nccs1 ZINC000349517200 484171907 /nfs/dbraw/zinc/17/19/07/484171907.db2.gz ABZABXWMZXDYQE-VIFPVBQESA-N -1 0 355.463 -0.329 20 0 FBADRM CO[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nncs2)C1 ZINC000349517231 660103682 /nfs/dbraw/zinc/10/36/82/660103682.db2.gz ZDIZTAYCNAIIPE-SECBINFHSA-N -1 0 370.478 -0.280 20 0 FBADRM CO[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nncs2)C1 ZINC000349517232 484565340 /nfs/dbraw/zinc/56/53/40/484565340.db2.gz ZDIZTAYCNAIIPE-VIFPVBQESA-N -1 0 370.478 -0.280 20 0 FBADRM CN(CC1CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1cn(C)nn1 ZINC000349517651 484172482 /nfs/dbraw/zinc/17/24/82/484172482.db2.gz MBWRGNYYBWOKSH-UHFFFAOYSA-N -1 0 351.454 -0.382 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CC[C@H](CO)C1)[N-]c1nccs1 ZINC000349517937 485259589 /nfs/dbraw/zinc/25/95/89/485259589.db2.gz GCCUVLZEZJYYMT-JTQLQIEISA-N -1 0 369.490 -0.081 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CC[C@@H](CO)C1)[N-]c1nccs1 ZINC000349517938 485259607 /nfs/dbraw/zinc/25/96/07/485259607.db2.gz GCCUVLZEZJYYMT-SNVBAGLBSA-N -1 0 369.490 -0.081 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccn(C)n2)C[C@H]1O ZINC000349517967 485259668 /nfs/dbraw/zinc/25/96/68/485259668.db2.gz GIJMYEHWXGSWDS-GHMZBOCLSA-N -1 0 366.465 -0.806 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccn(C)n2)C[C@@H]1O ZINC000349517968 485259108 /nfs/dbraw/zinc/25/91/08/485259108.db2.gz GIJMYEHWXGSWDS-MNOVXSKESA-N -1 0 366.465 -0.806 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccn(C)n2)C[C@@H]1O ZINC000349517969 485259473 /nfs/dbraw/zinc/25/94/73/485259473.db2.gz GIJMYEHWXGSWDS-QWRGUYRKSA-N -1 0 366.465 -0.806 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccn(C)n2)C[C@H]1O ZINC000349517970 485258982 /nfs/dbraw/zinc/25/89/82/485258982.db2.gz GIJMYEHWXGSWDS-WDEREUQCSA-N -1 0 366.465 -0.806 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCCOCC1)[N-]c1nncs1 ZINC000349518129 484171746 /nfs/dbraw/zinc/17/17/46/484171746.db2.gz MMSLKEIDSYWJAR-UHFFFAOYSA-N -1 0 370.478 -0.278 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@H](C)[C@H](O)C1 ZINC000349518396 485259077 /nfs/dbraw/zinc/25/90/77/485259077.db2.gz HGVICJZHEJTTSG-GXSJLCMTSA-N -1 0 367.449 -0.243 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C)[C@@H](O)C1 ZINC000349518397 485258994 /nfs/dbraw/zinc/25/89/94/485258994.db2.gz HGVICJZHEJTTSG-KOLCDFICSA-N -1 0 367.449 -0.243 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C)[C@H](O)C1 ZINC000349518398 485259434 /nfs/dbraw/zinc/25/94/34/485259434.db2.gz HGVICJZHEJTTSG-MWLCHTKSSA-N -1 0 367.449 -0.243 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)[C@@H](C)C1 ZINC000349518399 485259552 /nfs/dbraw/zinc/25/95/52/485259552.db2.gz HGVICJZHEJTTSG-ONGXEEELSA-N -1 0 367.449 -0.243 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCCSCC1)[N-]c1nc[nH]n1 ZINC000349518640 484565766 /nfs/dbraw/zinc/56/57/66/484565766.db2.gz NVFNSFIGXZSPHS-UHFFFAOYSA-N -1 0 369.494 -0.295 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C[C@H]1CO ZINC000349519033 484171770 /nfs/dbraw/zinc/17/17/70/484171770.db2.gz HKTBSEVRMWBFHX-MNOVXSKESA-N -1 0 367.449 -0.304 20 0 FBADRM CN(CC1CCC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349519684 484565282 /nfs/dbraw/zinc/56/52/82/484565282.db2.gz IXZVIBQRKGFFJZ-UHFFFAOYSA-N -1 0 351.454 -0.002 20 0 FBADRM C[C@H]([N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](O)C1)C(F)(F)F ZINC000349519690 484171720 /nfs/dbraw/zinc/17/17/20/484171720.db2.gz IZYOEYJEWJXIKC-DTWKUNHWSA-N -1 0 368.399 -0.357 20 0 FBADRM C[C@@H]([N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](O)C1)C(F)(F)F ZINC000349519691 484565213 /nfs/dbraw/zinc/56/52/13/484565213.db2.gz IZYOEYJEWJXIKC-RKDXNWHRSA-N -1 0 368.399 -0.357 20 0 FBADRM CN(Cc1ccoc1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349519750 484171835 /nfs/dbraw/zinc/17/18/35/484171835.db2.gz QAVVRZPSEQTASL-UHFFFAOYSA-N -1 0 363.421 -0.009 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1CO ZINC000349519751 484565801 /nfs/dbraw/zinc/56/58/01/484565801.db2.gz QAYVSSGEPXSNBM-LLVKDONJSA-N -1 0 367.449 -0.099 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]1CO ZINC000349519752 484172336 /nfs/dbraw/zinc/17/23/36/484172336.db2.gz QAYVSSGEPXSNBM-NSHDSACASA-N -1 0 367.449 -0.099 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C2CC2)n[nH]1 ZINC000349519797 484172497 /nfs/dbraw/zinc/17/24/97/484172497.db2.gz QNHJAKVAHLYKHQ-UHFFFAOYSA-N -1 0 351.454 -0.077 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)no1 ZINC000349520235 484172151 /nfs/dbraw/zinc/17/21/51/484172151.db2.gz JIZJHPYVMSBXFR-SNVBAGLBSA-N -1 0 353.422 -0.489 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@H]2CCOC2)no1 ZINC000349520278 485260553 /nfs/dbraw/zinc/26/05/53/485260553.db2.gz JUAOUGHEZCHXRV-JTQLQIEISA-N -1 0 368.437 -0.440 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H]2CCOC2)no1 ZINC000349520279 485260079 /nfs/dbraw/zinc/26/00/79/485260079.db2.gz JUAOUGHEZCHXRV-SNVBAGLBSA-N -1 0 368.437 -0.440 20 0 FBADRM CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1 ZINC000349520354 484171508 /nfs/dbraw/zinc/17/15/08/484171508.db2.gz RBQWKPCNLUHAMZ-UHFFFAOYSA-N -1 0 351.454 -0.239 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCC[C@@H]1CO)[N-]c1nncs1 ZINC000349520372 484171627 /nfs/dbraw/zinc/17/16/27/484171627.db2.gz RGBOUXVPAPLMRN-SECBINFHSA-N -1 0 370.478 -0.544 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCC[C@H]1CO)[N-]c1nncs1 ZINC000349520373 485260487 /nfs/dbraw/zinc/26/04/87/485260487.db2.gz RGBOUXVPAPLMRN-VIFPVBQESA-N -1 0 370.478 -0.544 20 0 FBADRM CN([C@@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000349520615 485260335 /nfs/dbraw/zinc/26/03/35/485260335.db2.gz KCGVUMDPIHUEQR-LLVKDONJSA-N -1 0 364.449 -0.341 20 0 FBADRM CN([C@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000349520616 485260432 /nfs/dbraw/zinc/26/04/32/485260432.db2.gz KCGVUMDPIHUEQR-NSHDSACASA-N -1 0 364.449 -0.341 20 0 FBADRM CCOC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)C1 ZINC000349521375 484172435 /nfs/dbraw/zinc/17/24/35/484172435.db2.gz KANOVUQRHXMXBC-UHFFFAOYSA-N -1 0 364.449 -0.341 20 0 FBADRM CN(C1CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc2ccccn2n1 ZINC000349522059 484118115 /nfs/dbraw/zinc/11/81/15/484118115.db2.gz UTZAOJNTQAJGPM-UHFFFAOYSA-N -1 0 373.460 0.285 20 0 FBADRM CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1cn(C)nn1 ZINC000349522069 484171870 /nfs/dbraw/zinc/17/18/70/484171870.db2.gz UXBXMQJIWRNGGM-UHFFFAOYSA-N -1 0 351.454 -0.239 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N(C)CC2CC2)nnn1C ZINC000349522090 484171894 /nfs/dbraw/zinc/17/18/94/484171894.db2.gz VEWWSVJRRDJEIT-UHFFFAOYSA-N -1 0 365.481 -0.073 20 0 FBADRM CN([C@@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000349522311 484565692 /nfs/dbraw/zinc/56/56/92/484565692.db2.gz MSGKTFGCUPHQBQ-LLVKDONJSA-N -1 0 366.465 -0.398 20 0 FBADRM CN([C@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000349522312 484565116 /nfs/dbraw/zinc/56/51/16/484565116.db2.gz MSGKTFGCUPHQBQ-NSHDSACASA-N -1 0 366.465 -0.398 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CC[C@@H](O)C1)[N-]c1ncccn1 ZINC000349522314 484565049 /nfs/dbraw/zinc/56/50/49/484565049.db2.gz MSLJIFZOKPAGFL-SNVBAGLBSA-N -1 0 350.422 -0.995 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2CO)no1 ZINC000349522533 484565185 /nfs/dbraw/zinc/56/51/85/484565185.db2.gz VOYMSMNDUDQSBU-JTQLQIEISA-N -1 0 368.437 -0.704 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2CO)no1 ZINC000349522534 484171953 /nfs/dbraw/zinc/17/19/53/484171953.db2.gz VOYMSMNDUDQSBU-SNVBAGLBSA-N -1 0 368.437 -0.704 20 0 FBADRM C[C@H](C1CC1)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349522843 484172444 /nfs/dbraw/zinc/17/24/44/484172444.db2.gz WSFMCFJGMMOKPW-SECBINFHSA-N -1 0 351.454 -0.003 20 0 FBADRM C[C@@H](C1CC1)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349522845 484171548 /nfs/dbraw/zinc/17/15/48/484171548.db2.gz WSFMCFJGMMOKPW-VIFPVBQESA-N -1 0 351.454 -0.003 20 0 FBADRM Cc1onc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)c1C ZINC000349522906 484565175 /nfs/dbraw/zinc/56/51/75/484565175.db2.gz WYYGRTWQDRLMPK-NSHDSACASA-N -1 0 367.449 -0.180 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCC[C@@H]1CO)[N-]c1ncccn1 ZINC000349522928 484171941 /nfs/dbraw/zinc/17/19/41/484171941.db2.gz XBRFQAJHKOJHEQ-LLVKDONJSA-N -1 0 364.449 -0.605 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCC[C@H]1CO)[N-]c1ncccn1 ZINC000349522930 484171604 /nfs/dbraw/zinc/17/16/04/484171604.db2.gz XBRFQAJHKOJHEQ-NSHDSACASA-N -1 0 364.449 -0.605 20 0 FBADRM CCc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)no1 ZINC000349523167 485260065 /nfs/dbraw/zinc/26/00/65/485260065.db2.gz NPNMWCOLIREGPX-SNVBAGLBSA-N -1 0 367.449 -0.235 20 0 FBADRM CCOC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2noc(C)n2)C1 ZINC000349523242 484171446 /nfs/dbraw/zinc/17/14/46/484171446.db2.gz LLALLOYHFIVZEJ-UHFFFAOYSA-N -1 0 368.437 -0.440 20 0 FBADRM CN(CC1CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1 ZINC000349523306 484565637 /nfs/dbraw/zinc/56/56/37/484565637.db2.gz XMYIXWDBRCCKNB-UHFFFAOYSA-N -1 0 351.454 -0.382 20 0 FBADRM CCCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc(C)n(C)n1 ZINC000349523365 484171591 /nfs/dbraw/zinc/17/15/91/484171591.db2.gz NYQUCKHGYFKLLO-UHFFFAOYSA-N -1 0 353.470 -0.073 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2CO)n1 ZINC000349523394 484565953 /nfs/dbraw/zinc/56/59/53/484565953.db2.gz XUJVWQILQYRUQG-LLVKDONJSA-N -1 0 366.465 -0.662 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2CO)n1 ZINC000349523398 484172408 /nfs/dbraw/zinc/17/24/08/484172408.db2.gz XUJVWQILQYRUQG-NSHDSACASA-N -1 0 366.465 -0.662 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C2CC2)nnn1C ZINC000349523647 484171921 /nfs/dbraw/zinc/17/19/21/484171921.db2.gz YNPQPCXGQXLMLM-UHFFFAOYSA-N -1 0 351.454 -0.321 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](C)[C@H](O)C2)no1 ZINC000349523672 484041548 /nfs/dbraw/zinc/04/15/48/484041548.db2.gz MARIOCPBCDCIHW-GXSJLCMTSA-N -1 0 367.449 -0.243 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](C)[C@@H](O)C2)no1 ZINC000349523674 485260477 /nfs/dbraw/zinc/26/04/77/485260477.db2.gz MARIOCPBCDCIHW-KOLCDFICSA-N -1 0 367.449 -0.243 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](C)[C@H](O)C2)no1 ZINC000349523678 485260085 /nfs/dbraw/zinc/26/00/85/485260085.db2.gz MARIOCPBCDCIHW-MWLCHTKSSA-N -1 0 367.449 -0.243 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](O)[C@@H](C)C2)no1 ZINC000349523681 485260007 /nfs/dbraw/zinc/26/00/07/485260007.db2.gz MARIOCPBCDCIHW-ONGXEEELSA-N -1 0 367.449 -0.243 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](CO)C2)no1 ZINC000349523708 485260195 /nfs/dbraw/zinc/26/01/95/485260195.db2.gz MCENUGMWDPYITP-LLVKDONJSA-N -1 0 367.449 -0.241 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](CO)C2)no1 ZINC000349523710 485260579 /nfs/dbraw/zinc/26/05/79/485260579.db2.gz MCENUGMWDPYITP-NSHDSACASA-N -1 0 367.449 -0.241 20 0 FBADRM COC1(C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nncs2)C1 ZINC000349523718 484171881 /nfs/dbraw/zinc/17/18/81/484171881.db2.gz MEKAITQRGBERCJ-UHFFFAOYSA-N -1 0 370.478 -0.280 20 0 FBADRM CN([C@@H]1CCC[C@H]1O)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349523725 484171783 /nfs/dbraw/zinc/17/17/83/484171783.db2.gz MFKRREDHMLFARO-GHMZBOCLSA-N -1 0 367.449 -0.019 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nncs2)C[C@@H]1O ZINC000349523797 484040653 /nfs/dbraw/zinc/04/06/53/484040653.db2.gz MMEDEMIKKCGKKP-BDAKNGLRSA-N -1 0 370.478 -0.688 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nncs2)C[C@H]1O ZINC000349523799 484041165 /nfs/dbraw/zinc/04/11/65/484041165.db2.gz MMEDEMIKKCGKKP-DTWKUNHWSA-N -1 0 370.478 -0.688 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nncs2)C[C@@H]1O ZINC000349523801 484041733 /nfs/dbraw/zinc/04/17/33/484041733.db2.gz MMEDEMIKKCGKKP-IUCAKERBSA-N -1 0 370.478 -0.688 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nncs2)C[C@H]1O ZINC000349523803 485260251 /nfs/dbraw/zinc/26/02/51/485260251.db2.gz MMEDEMIKKCGKKP-RKDXNWHRSA-N -1 0 370.478 -0.688 20 0 FBADRM CN(C1CCC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1 ZINC000349523831 484567038 /nfs/dbraw/zinc/56/70/38/484567038.db2.gz MQQJYABIQCPOBR-UHFFFAOYSA-N -1 0 351.454 -0.239 20 0 FBADRM Cc1csc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)n1 ZINC000349524313 484173974 /nfs/dbraw/zinc/17/39/74/484173974.db2.gz ZVDWXEPQFSAGOE-JTQLQIEISA-N -1 0 369.490 -0.020 20 0 FBADRM CCOC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nncs2)C1 ZINC000349524372 484566898 /nfs/dbraw/zinc/56/68/98/484566898.db2.gz NDBANFANGBVVMQ-UHFFFAOYSA-N -1 0 370.478 -0.280 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](C)[C@H](O)C2)no1 ZINC000349524425 485258640 /nfs/dbraw/zinc/25/86/40/485258640.db2.gz NLWGOJMJOBXEKH-PSASIEDQSA-N -1 0 368.437 -0.848 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](C)[C@@H](O)C2)no1 ZINC000349524426 485258629 /nfs/dbraw/zinc/25/86/29/485258629.db2.gz NLWGOJMJOBXEKH-SCZZXKLOSA-N -1 0 368.437 -0.848 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](C)[C@H](O)C2)no1 ZINC000349524427 485258539 /nfs/dbraw/zinc/25/85/39/485258539.db2.gz NLWGOJMJOBXEKH-WCBMZHEXSA-N -1 0 368.437 -0.848 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](O)[C@@H](C)C2)no1 ZINC000349524428 485258616 /nfs/dbraw/zinc/25/86/16/485258616.db2.gz NLWGOJMJOBXEKH-WPRPVWTQSA-N -1 0 368.437 -0.848 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](F)C2)n1 ZINC000349524670 485258393 /nfs/dbraw/zinc/25/83/93/485258393.db2.gz QIYOBBWIGDPQFT-SNVBAGLBSA-N -1 0 354.429 -0.075 20 0 FBADRM CCc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)s1 ZINC000349524690 484173870 /nfs/dbraw/zinc/17/38/70/484173870.db2.gz NTNZBBDFMGTINE-UHFFFAOYSA-N -1 0 370.478 -0.148 20 0 FBADRM CN([C@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349525075 484566399 /nfs/dbraw/zinc/56/63/99/484566399.db2.gz QJKLWUFKMWUQOI-JTQLQIEISA-N -1 0 353.422 -0.143 20 0 FBADRM CN([C@@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349525076 484566520 /nfs/dbraw/zinc/56/65/20/484566520.db2.gz QJKLWUFKMWUQOI-SNVBAGLBSA-N -1 0 353.422 -0.143 20 0 FBADRM Cc1noc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)c1C ZINC000349525159 484173254 /nfs/dbraw/zinc/17/32/54/484173254.db2.gz QYNBCBHMDJXGKI-LLVKDONJSA-N -1 0 367.449 -0.180 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOCC2)n1 ZINC000349525439 484174090 /nfs/dbraw/zinc/17/40/90/484174090.db2.gz RHZUCLZSZHYXIX-UHFFFAOYSA-N -1 0 366.465 -0.396 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)s1 ZINC000349525479 484173529 /nfs/dbraw/zinc/17/35/29/484173529.db2.gz RLWWCHORWBXYKB-SNVBAGLBSA-N -1 0 369.490 -0.020 20 0 FBADRM CCc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)no1 ZINC000349525635 485259868 /nfs/dbraw/zinc/25/98/68/485259868.db2.gz OYHVWRQHFWXHAE-UHFFFAOYSA-N -1 0 353.422 -0.012 20 0 FBADRM COC1(C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C1 ZINC000349526180 484173568 /nfs/dbraw/zinc/17/35/68/484173568.db2.gz PIWZHVFDVUVJCY-UHFFFAOYSA-N -1 0 353.422 -0.143 20 0 FBADRM CC(C)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1 ZINC000349526434 484173149 /nfs/dbraw/zinc/17/31/49/484173149.db2.gz SUUGQNKUDNBZBZ-UHFFFAOYSA-N -1 0 353.470 -0.136 20 0 FBADRM COC1(C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)C1 ZINC000349527095 484173627 /nfs/dbraw/zinc/17/36/27/484173627.db2.gz QOUNWQNKBOHNRS-UHFFFAOYSA-N -1 0 364.449 -0.341 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCCOCC1)[N-]c1ncccn1 ZINC000349527331 485259922 /nfs/dbraw/zinc/25/99/22/485259922.db2.gz VIEFKPHSRJPFDD-UHFFFAOYSA-N -1 0 364.449 -0.340 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](O)C1 ZINC000349527332 485260310 /nfs/dbraw/zinc/26/03/10/485260310.db2.gz VIFWJBMRXGNOAJ-SNVBAGLBSA-N -1 0 353.422 -0.489 20 0 FBADRM COC1(C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccn(C)n2)C1 ZINC000349527461 484173817 /nfs/dbraw/zinc/17/38/17/484173817.db2.gz RPVALGBXZPAPFU-UHFFFAOYSA-N -1 0 366.465 -0.398 20 0 FBADRM CCOC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccn(C)n2)C1 ZINC000349527514 484173763 /nfs/dbraw/zinc/17/37/63/484173763.db2.gz RWFKOBMJXWUQET-UHFFFAOYSA-N -1 0 366.465 -0.398 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)no1 ZINC000349528046 484561310 /nfs/dbraw/zinc/56/13/10/484561310.db2.gz SPVMWZFXTKAENJ-UHFFFAOYSA-N -1 0 354.410 -0.617 20 0 FBADRM CC(C)c1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)o1 ZINC000349528066 484173809 /nfs/dbraw/zinc/17/38/09/484173809.db2.gz SRJFUZGJQGCLIN-UHFFFAOYSA-N -1 0 368.437 -0.056 20 0 FBADRM Cc1onc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)c1C ZINC000349528231 484561288 /nfs/dbraw/zinc/56/12/88/484561288.db2.gz WYYGRTWQDRLMPK-LLVKDONJSA-N -1 0 367.449 -0.180 20 0 FBADRM Cc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)s1 ZINC000349528279 484173724 /nfs/dbraw/zinc/17/37/24/484173724.db2.gz XKWSWXKBSGCDQG-SECBINFHSA-N -1 0 370.478 -0.625 20 0 FBADRM CN([C@@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nncs1 ZINC000349529189 484173991 /nfs/dbraw/zinc/17/39/91/484173991.db2.gz ZEWLJHABCGXLEL-SECBINFHSA-N -1 0 370.478 -0.280 20 0 FBADRM CN([C@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nncs1 ZINC000349529190 484173240 /nfs/dbraw/zinc/17/32/40/484173240.db2.gz ZEWLJHABCGXLEL-VIFPVBQESA-N -1 0 370.478 -0.280 20 0 FBADRM CC1(C)CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000349529258 484562548 /nfs/dbraw/zinc/56/25/48/484562548.db2.gz VXPCSDRNVBVQOX-UHFFFAOYSA-N -1 0 351.454 -0.002 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)C[C@H]1O ZINC000349529260 485261281 /nfs/dbraw/zinc/26/12/81/485261281.db2.gz VXTNRWLBVYXTSY-GHMZBOCLSA-N -1 0 364.449 -0.749 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)C[C@@H]1O ZINC000349529262 485261461 /nfs/dbraw/zinc/26/14/61/485261461.db2.gz VXTNRWLBVYXTSY-MNOVXSKESA-N -1 0 364.449 -0.749 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)C[C@@H]1O ZINC000349529264 485260933 /nfs/dbraw/zinc/26/09/33/485260933.db2.gz VXTNRWLBVYXTSY-QWRGUYRKSA-N -1 0 364.449 -0.749 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)C[C@H]1O ZINC000349529266 485261098 /nfs/dbraw/zinc/26/10/98/485261098.db2.gz VXTNRWLBVYXTSY-WDEREUQCSA-N -1 0 364.449 -0.749 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nccs2)C[C@H]1O ZINC000349529382 485261548 /nfs/dbraw/zinc/26/15/48/485261548.db2.gz WGDPYQOSRLUTAX-NXEZZACHSA-N -1 0 369.490 -0.083 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nccs2)C[C@@H]1O ZINC000349529383 485261648 /nfs/dbraw/zinc/26/16/48/485261648.db2.gz WGDPYQOSRLUTAX-UWVGGRQHSA-N -1 0 369.490 -0.083 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nccs2)C[C@H]1O ZINC000349529384 485260859 /nfs/dbraw/zinc/26/08/59/485260859.db2.gz WGDPYQOSRLUTAX-VHSXEESVSA-N -1 0 369.490 -0.083 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nccs2)C[C@@H]1O ZINC000349529385 485261226 /nfs/dbraw/zinc/26/12/26/485261226.db2.gz WGDPYQOSRLUTAX-ZJUUUORDSA-N -1 0 369.490 -0.083 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CC[C@@H](CO)C1)[N-]c1ncccn1 ZINC000349529388 846214791 /nfs/dbraw/zinc/21/47/91/846214791.db2.gz WGQUNLJMWROXPV-LLVKDONJSA-N -1 0 364.449 -0.748 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CC[C@H](CO)C1)[N-]c1ncccn1 ZINC000349529389 846214558 /nfs/dbraw/zinc/21/45/58/846214558.db2.gz WGQUNLJMWROXPV-NSHDSACASA-N -1 0 364.449 -0.748 20 0 FBADRM Cc1csc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)n1 ZINC000349529468 484173323 /nfs/dbraw/zinc/17/33/23/484173323.db2.gz ZVDWXEPQFSAGOE-SNVBAGLBSA-N -1 0 369.490 -0.020 20 0 FBADRM CSc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)n[nH]1 ZINC000349529857 484173832 /nfs/dbraw/zinc/17/38/32/484173832.db2.gz WZUHNTAUBVXBIA-UHFFFAOYSA-N -1 0 371.466 -0.722 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCSCC2)n1 ZINC000349530054 484173714 /nfs/dbraw/zinc/17/37/14/484173714.db2.gz BTEONDRZEFSORN-UHFFFAOYSA-N -1 0 368.506 -0.070 20 0 FBADRM Cc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)s1 ZINC000349530101 484173751 /nfs/dbraw/zinc/17/37/51/484173751.db2.gz XFIQXRMJAFVWEJ-UHFFFAOYSA-N -1 0 356.451 -0.402 20 0 FBADRM CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(OC)nn1 ZINC000349530320 484173946 /nfs/dbraw/zinc/17/39/46/484173946.db2.gz CRTNUAKCCOMGBZ-UHFFFAOYSA-N -1 0 352.438 -0.102 20 0 FBADRM CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncncc1OC ZINC000349530344 484173114 /nfs/dbraw/zinc/17/31/14/484173114.db2.gz DCYHSTISSPIXQS-UHFFFAOYSA-N -1 0 352.438 -0.102 20 0 FBADRM CSc1c[nH]nc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCOC1 ZINC000349530730 484174895 /nfs/dbraw/zinc/17/48/95/484174895.db2.gz YQLQGBJHFTZZKG-UHFFFAOYSA-N -1 0 370.478 -0.117 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)no1 ZINC000349530767 484174907 /nfs/dbraw/zinc/17/49/07/484174907.db2.gz FFLSDYHDEDXVCW-VIFPVBQESA-N -1 0 368.437 -0.840 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCSCC1)[N-]c1ncccn1 ZINC000349531129 484174391 /nfs/dbraw/zinc/17/43/91/484174391.db2.gz GILNAZUVVUUKJW-UHFFFAOYSA-N -1 0 366.490 -0.013 20 0 FBADRM CNC(=O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nccs1 ZINC000349531201 484174551 /nfs/dbraw/zinc/17/45/51/484174551.db2.gz GQOGAYZDKCVUHF-UHFFFAOYSA-N -1 0 370.478 -0.718 20 0 FBADRM CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc2ccccn2n1 ZINC000349531204 484331639 /nfs/dbraw/zinc/33/16/39/484331639.db2.gz GQYZSKRSKUKIMX-UHFFFAOYSA-N -1 0 361.449 0.143 20 0 FBADRM NC(=O)[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349531236 484486694 /nfs/dbraw/zinc/48/66/94/484486694.db2.gz HCVBWCXWZFFMRE-VIFPVBQESA-N -1 0 366.421 -0.914 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)no1 ZINC000349531478 484174933 /nfs/dbraw/zinc/17/49/33/484174933.db2.gz JIZJHPYVMSBXFR-JTQLQIEISA-N -1 0 353.422 -0.489 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC(F)(F)C2)nn1 ZINC000349531488 484175472 /nfs/dbraw/zinc/17/54/72/484175472.db2.gz JNHFVKBDCYZKTK-UHFFFAOYSA-N -1 0 373.407 -0.382 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCSCC2)no1 ZINC000349531585 484174956 /nfs/dbraw/zinc/17/49/56/484174956.db2.gz KVGRYPMPWJUNDS-UHFFFAOYSA-N -1 0 370.478 -0.112 20 0 FBADRM CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(N(C)C)ncn1 ZINC000349531602 484175301 /nfs/dbraw/zinc/17/53/01/484175301.db2.gz KYXHGFRAQPWRLX-UHFFFAOYSA-N -1 0 365.481 -0.044 20 0 FBADRM CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C(N)=O)s1 ZINC000349531631 484174782 /nfs/dbraw/zinc/17/47/82/484174782.db2.gz LLZKGTQYMUKSHN-UHFFFAOYSA-N -1 0 370.478 -0.345 20 0 FBADRM CNC(=O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C)on1 ZINC000349531702 484175356 /nfs/dbraw/zinc/17/53/56/484175356.db2.gz MGEDGMJLPXUXBX-UHFFFAOYSA-N -1 0 368.437 -0.878 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CC[C@H](O)C1)[N-]c1ncccn1 ZINC000349531757 484174913 /nfs/dbraw/zinc/17/49/13/484174913.db2.gz MSLJIFZOKPAGFL-JTQLQIEISA-N -1 0 350.422 -0.995 20 0 FBADRM CCc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)no1 ZINC000349531904 485261620 /nfs/dbraw/zinc/26/16/20/485261620.db2.gz NPNMWCOLIREGPX-JTQLQIEISA-N -1 0 367.449 -0.235 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)nc1 ZINC000349532111 660103694 /nfs/dbraw/zinc/10/36/94/660103694.db2.gz NRRISAOHDUQPGE-NSHDSACASA-N -1 0 364.449 -0.687 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)CCO)s1 ZINC000349532123 484174465 /nfs/dbraw/zinc/17/44/65/484174465.db2.gz ADBRIHDKBADRJO-UHFFFAOYSA-N -1 0 357.479 -0.163 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCCSC1)[N-]c1nc[nH]n1 ZINC000349532521 484175154 /nfs/dbraw/zinc/17/51/54/484175154.db2.gz CLPYTTXQAZWARR-SECBINFHSA-N -1 0 369.494 -0.249 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@H]1CCCSC1)[N-]c1nc[nH]n1 ZINC000349532522 484174717 /nfs/dbraw/zinc/17/47/17/484174717.db2.gz CLPYTTXQAZWARR-VIFPVBQESA-N -1 0 369.494 -0.249 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCC[C@H]1O)[N-]c1ncccn1 ZINC000349532562 484566557 /nfs/dbraw/zinc/56/65/57/484566557.db2.gz CUTCWGXJPQIENC-GHMZBOCLSA-N -1 0 364.449 -0.559 20 0 FBADRM CN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nccs2)CC1 ZINC000349532669 484565465 /nfs/dbraw/zinc/56/54/65/484565465.db2.gz BVXAUGRTOIEJJD-UHFFFAOYSA-N -1 0 368.506 -0.148 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCN(C)CC1 ZINC000349532686 484175113 /nfs/dbraw/zinc/17/51/13/484175113.db2.gz CAHGHXDDYCPXKB-UHFFFAOYSA-N -1 0 366.465 -0.308 20 0 FBADRM CC1(C)OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349532875 484569766 /nfs/dbraw/zinc/56/97/66/484569766.db2.gz DCTIXMDUGDLKSZ-SECBINFHSA-N -1 0 367.453 -0.577 20 0 FBADRM CC1(C)OCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349532876 484569942 /nfs/dbraw/zinc/56/99/42/484569942.db2.gz DCTIXMDUGDLKSZ-VIFPVBQESA-N -1 0 367.453 -0.577 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCN(C)CC2)no1 ZINC000349533022 484569960 /nfs/dbraw/zinc/56/99/60/484569960.db2.gz CVKPFDFZVCJSTB-UHFFFAOYSA-N -1 0 367.453 -0.913 20 0 FBADRM CN([C@@H]1CCSC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349533184 484174343 /nfs/dbraw/zinc/17/43/43/484174343.db2.gz QCNPRXKOWDFHPE-SECBINFHSA-N -1 0 369.494 -0.296 20 0 FBADRM CN([C@H]1CCSC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349533185 484174841 /nfs/dbraw/zinc/17/48/41/484174841.db2.gz QCNPRXKOWDFHPE-VIFPVBQESA-N -1 0 369.494 -0.296 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC(F)(F)C2)n1 ZINC000349533190 485261328 /nfs/dbraw/zinc/26/13/28/485261328.db2.gz QDUVDUGQPBUXGT-UHFFFAOYSA-N -1 0 373.407 -0.382 20 0 FBADRM CC[C@@H]1C[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1 ZINC000349533252 484175185 /nfs/dbraw/zinc/17/51/85/484175185.db2.gz FCLQVRSIQVRWJN-NXEZZACHSA-N -1 0 351.454 -0.335 20 0 FBADRM Cc1cc(C)nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)CCO)n1 ZINC000349533345 484174815 /nfs/dbraw/zinc/17/48/15/484174815.db2.gz DGYDPIHRFBTOBN-UHFFFAOYSA-N -1 0 366.465 -0.521 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCSCC1)[N-]c1nc[nH]n1 ZINC000349533529 484175400 /nfs/dbraw/zinc/17/54/00/484175400.db2.gz QNLJRRUHBCLPMI-UHFFFAOYSA-N -1 0 355.467 -0.685 20 0 FBADRM CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cncc(OC)n1 ZINC000349533567 484332074 /nfs/dbraw/zinc/33/20/74/484332074.db2.gz QXDWKBDNIFAXGY-UHFFFAOYSA-N -1 0 352.438 -0.102 20 0 FBADRM Cc1noc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)c1C ZINC000349533574 484568894 /nfs/dbraw/zinc/56/88/94/484568894.db2.gz QYNBCBHMDJXGKI-NSHDSACASA-N -1 0 367.449 -0.180 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C(C)C)nn1C ZINC000349533723 484174418 /nfs/dbraw/zinc/17/44/18/484174418.db2.gz DTXOHFQBJHKHII-UHFFFAOYSA-N -1 0 353.470 -0.075 20 0 FBADRM CN(Cc1ccco1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349533859 484175097 /nfs/dbraw/zinc/17/50/97/484175097.db2.gz FEYIFDFXOYABAB-UHFFFAOYSA-N -1 0 363.421 -0.009 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)s1 ZINC000349533901 484174796 /nfs/dbraw/zinc/17/47/96/484174796.db2.gz RLWWCHORWBXYKB-JTQLQIEISA-N -1 0 369.490 -0.020 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@H]2O)no1 ZINC000349534026 484175346 /nfs/dbraw/zinc/17/53/46/484175346.db2.gz HCCLVLCSRQWLTP-GHMZBOCLSA-N -1 0 367.449 -0.052 20 0 FBADRM Cc1noc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)CCO)c1C ZINC000349534170 484175087 /nfs/dbraw/zinc/17/50/87/484175087.db2.gz FUMVZSCXDNCEIV-UHFFFAOYSA-N -1 0 355.438 -0.323 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)no1 ZINC000349534269 484569041 /nfs/dbraw/zinc/56/90/41/484569041.db2.gz GMSZSLXFCHQOJQ-RKDXNWHRSA-N -1 0 368.437 -0.794 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)NC2(CF)CCC2)nn1 ZINC000349534351 484175317 /nfs/dbraw/zinc/17/53/17/484175317.db2.gz HXQKITQULTUSKT-UHFFFAOYSA-N -1 0 369.444 -0.242 20 0 FBADRM CC[C@@H]1C[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cn(C)nn1 ZINC000349534365 484569918 /nfs/dbraw/zinc/56/99/18/484569918.db2.gz IAUMVJUSYWRXEU-NXEZZACHSA-N -1 0 351.454 -0.335 20 0 FBADRM CN1CCCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)CC1 ZINC000349534424 484175117 /nfs/dbraw/zinc/17/51/17/484175117.db2.gz GQTDAQITXXVWGD-UHFFFAOYSA-N -1 0 366.465 -0.226 20 0 FBADRM CCN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)CC1 ZINC000349534616 484174777 /nfs/dbraw/zinc/17/47/77/484174777.db2.gz HLPDYXPFGBZCFG-UHFFFAOYSA-N -1 0 366.465 -0.226 20 0 FBADRM CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(OC)ncn1 ZINC000349534873 484174764 /nfs/dbraw/zinc/17/47/64/484174764.db2.gz UMAKLBWYSKQCEW-UHFFFAOYSA-N -1 0 352.438 -0.102 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCN(C)CC2)n1 ZINC000349534984 484175484 /nfs/dbraw/zinc/17/54/84/484175484.db2.gz IHRNRTJGQCPEQF-UHFFFAOYSA-N -1 0 365.481 -0.871 20 0 FBADRM CC(C)[C@@H]1C[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1 ZINC000349535008 484175375 /nfs/dbraw/zinc/17/53/75/484175375.db2.gz JHHMOUWLFXVSTK-WDEREUQCSA-N -1 0 365.481 -0.089 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NC2(C(F)F)CC2)n1 ZINC000349535010 484175262 /nfs/dbraw/zinc/17/52/62/484175262.db2.gz JHJIPPXHNFRDCB-UHFFFAOYSA-N -1 0 373.407 -0.336 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@H]1O ZINC000349535071 484569567 /nfs/dbraw/zinc/56/95/67/484569567.db2.gz JSUQEICIHRJVOB-GHMZBOCLSA-N -1 0 367.449 -0.052 20 0 FBADRM CC[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349535098 484174990 /nfs/dbraw/zinc/17/49/90/484174990.db2.gz KDKWTYPHBDGYCU-ZJUUUORDSA-N -1 0 367.453 -0.577 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](O)C1 ZINC000349535226 484175332 /nfs/dbraw/zinc/17/53/32/484175332.db2.gz VIFWJBMRXGNOAJ-JTQLQIEISA-N -1 0 353.422 -0.489 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)no1 ZINC000349535299 484174982 /nfs/dbraw/zinc/17/49/82/484174982.db2.gz JDYSUGGZWASAIX-NXEZZACHSA-N -1 0 353.422 -0.442 20 0 FBADRM O=C1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nccs2)CCN1 ZINC000349535314 484174867 /nfs/dbraw/zinc/17/48/67/484174867.db2.gz JHVZCMVGVZXDSQ-UHFFFAOYSA-N -1 0 368.462 -0.964 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2[C@@H]3CCC[C@@H]32)nn1 ZINC000349535359 484176945 /nfs/dbraw/zinc/17/69/45/484176945.db2.gz ABWMWLJKXIMGMW-IAZYJMLFSA-N -1 0 363.465 -0.335 20 0 FBADRM Cc1csc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)CCO)n1 ZINC000349535360 484570348 /nfs/dbraw/zinc/57/03/48/484570348.db2.gz JQMPTALDIZKTFK-UHFFFAOYSA-N -1 0 357.479 -0.163 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)nn1 ZINC000349535361 484176290 /nfs/dbraw/zinc/17/62/90/484176290.db2.gz ABWMWLJKXIMGMW-PEGIJTEDSA-N -1 0 363.465 -0.335 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NC2(CF)CCC2)n1 ZINC000349535780 484570687 /nfs/dbraw/zinc/57/06/87/484570687.db2.gz LPAAWMQEVIELCQ-UHFFFAOYSA-N -1 0 369.444 -0.242 20 0 FBADRM CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1n[nH]c(SC)n1 ZINC000349535808 484177094 /nfs/dbraw/zinc/17/70/94/484177094.db2.gz WMZQELWNXJZYKG-UHFFFAOYSA-N -1 0 357.483 -0.060 20 0 FBADRM CC1(C)[C@H](O)C[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349536017 484570526 /nfs/dbraw/zinc/57/05/26/484570526.db2.gz BSTRTEKTCTYOEK-NXEZZACHSA-N -1 0 367.449 -0.115 20 0 FBADRM CC1(C)[C@@H](O)C[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349536018 484570938 /nfs/dbraw/zinc/57/09/38/484570938.db2.gz BSTRTEKTCTYOEK-UWVGGRQHSA-N -1 0 367.449 -0.115 20 0 FBADRM CC1(C)[C@H](O)C[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349536020 484570493 /nfs/dbraw/zinc/57/04/93/484570493.db2.gz BSTRTEKTCTYOEK-VHSXEESVSA-N -1 0 367.449 -0.115 20 0 FBADRM CC1(C)[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C[C@@H]1O ZINC000349536023 484570873 /nfs/dbraw/zinc/57/08/73/484570873.db2.gz BSTRTEKTCTYOEK-ZJUUUORDSA-N -1 0 367.449 -0.115 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCC[C@H]1O)[N-]c1nncs1 ZINC000349536156 484175982 /nfs/dbraw/zinc/17/59/82/484175982.db2.gz MPZXYUBDCOIZNN-RKDXNWHRSA-N -1 0 370.478 -0.497 20 0 FBADRM CC[C@@H]1C[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nnn(C)c1C ZINC000349536168 484176758 /nfs/dbraw/zinc/17/67/58/484176758.db2.gz MUETVKISIBNSKG-GHMZBOCLSA-N -1 0 365.481 -0.027 20 0 FBADRM Cc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)s1 ZINC000349536245 484176094 /nfs/dbraw/zinc/17/60/94/484176094.db2.gz XKWSWXKBSGCDQG-VIFPVBQESA-N -1 0 370.478 -0.625 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@@H]2F)n1 ZINC000349536262 484176507 /nfs/dbraw/zinc/17/65/07/484176507.db2.gz NIXJSYVDPXOFQS-VHSXEESVSA-N -1 0 369.444 -0.243 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCSCC2)n1 ZINC000349536435 484570671 /nfs/dbraw/zinc/57/06/71/484570671.db2.gz YAZKUYATEMNFIE-UHFFFAOYSA-N -1 0 369.494 -0.675 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2C[C@@](C)(O)C2)no1 ZINC000349536545 484176870 /nfs/dbraw/zinc/17/68/70/484176870.db2.gz BZSAEAJSRCBGKU-KLPPZKSPSA-N -1 0 367.449 -0.052 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)NC2CC(C)(F)C2)nn1 ZINC000349537092 484176328 /nfs/dbraw/zinc/17/63/28/484176328.db2.gz DGKHMBGDNHUYIV-UHFFFAOYSA-N -1 0 369.444 -0.243 20 0 FBADRM CC[C@@H]1C[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc(C)n(C)n1 ZINC000349537394 484570982 /nfs/dbraw/zinc/57/09/82/484570982.db2.gz QELQQZVEMFHZTQ-GHMZBOCLSA-N -1 0 365.481 -0.027 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@@H]1CCC[C@H]1O)[N-]c1nc[nH]n1 ZINC000349537395 484176270 /nfs/dbraw/zinc/17/62/70/484176270.db2.gz QEQSTLLVTPEVEI-VHSXEESVSA-N -1 0 367.453 -0.983 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@H]1CCC[C@@H]1O)[N-]c1nc[nH]n1 ZINC000349537397 484570654 /nfs/dbraw/zinc/57/06/54/484570654.db2.gz QEQSTLLVTPEVEI-ZJUUUORDSA-N -1 0 367.453 -0.983 20 0 FBADRM C[C@@]1(O)C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C1 ZINC000349537497 484176618 /nfs/dbraw/zinc/17/66/18/484176618.db2.gz DVCNGBMWCWIXEA-JGZJWPJOSA-N -1 0 353.422 -0.361 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCN(C)CC2)no1 ZINC000349537648 484176204 /nfs/dbraw/zinc/17/62/04/484176204.db2.gz MUUIJNBSFCBFKA-UHFFFAOYSA-N -1 0 366.465 -0.308 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@H]1CCC[C@@H]1O)[N-]c1ccon1 ZINC000349537850 484571134 /nfs/dbraw/zinc/57/11/34/484571134.db2.gz RDPVVVRYWLTWGB-MNOVXSKESA-N -1 0 367.449 -0.113 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@@H]1CCC[C@H]1O)[N-]c1ccon1 ZINC000349537851 484175996 /nfs/dbraw/zinc/17/59/96/484175996.db2.gz RDPVVVRYWLTWGB-WDEREUQCSA-N -1 0 367.449 -0.113 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]2C2CC2)n1 ZINC000349538000 484177135 /nfs/dbraw/zinc/17/71/35/484177135.db2.gz FUVVIOZWTKQAPQ-WDEREUQCSA-N -1 0 363.465 -0.335 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CC[C@H]1O)[N-]c1nccs1 ZINC000349538128 484176556 /nfs/dbraw/zinc/17/65/56/484176556.db2.gz NRVSXTORYQVYOY-RKDXNWHRSA-N -1 0 355.463 -0.282 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCC[C@H]1O)[N-]c1ccon1 ZINC000349538336 485262088 /nfs/dbraw/zinc/26/20/88/485262088.db2.gz SWJSZRRNGCLZME-NXEZZACHSA-N -1 0 353.422 -0.361 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@H]2O)n1 ZINC000349538577 484176306 /nfs/dbraw/zinc/17/63/06/484176306.db2.gz UPMVFFOPUPBMBG-GHMZBOCLSA-N -1 0 366.465 -0.615 20 0 FBADRM COc1cncc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C(C)C)n1 ZINC000349538763 484458753 /nfs/dbraw/zinc/45/87/53/484458753.db2.gz PCSMWLDNJMYUQW-UHFFFAOYSA-N -1 0 366.465 0.287 20 0 FBADRM Cc1onc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)CCO)c1C ZINC000349538792 485262827 /nfs/dbraw/zinc/26/28/27/485262827.db2.gz PLGAUXVBDBIIEK-UHFFFAOYSA-N -1 0 355.438 -0.323 20 0 FBADRM CCc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)no1 ZINC000349539222 659895671 /nfs/dbraw/zinc/89/56/71/659895671.db2.gz QLYJDKDMTHXOHV-GHMZBOCLSA-N -1 0 367.449 -0.189 20 0 FBADRM Cc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)s1 ZINC000349539631 484570749 /nfs/dbraw/zinc/57/07/49/484570749.db2.gz QSMMRPHYSBSTHR-RKDXNWHRSA-N -1 0 370.478 -0.579 20 0 FBADRM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)CCO)n1 ZINC000349539699 484571019 /nfs/dbraw/zinc/57/10/19/484571019.db2.gz RERLUMRBSQNKFU-UHFFFAOYSA-N -1 0 352.438 -0.829 20 0 FBADRM CC(C)[C@@H]1C[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cn(C)nn1 ZINC000349539774 484176144 /nfs/dbraw/zinc/17/61/44/484176144.db2.gz XJZTYEVEGCLGKH-WDEREUQCSA-N -1 0 365.481 -0.089 20 0 FBADRM Cc1noc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)c1C ZINC000349540124 484176809 /nfs/dbraw/zinc/17/68/09/484176809.db2.gz RUHFBKCOEQZOLL-GHMZBOCLSA-N -1 0 367.449 -0.134 20 0 FBADRM CN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000349540185 484176056 /nfs/dbraw/zinc/17/60/56/484176056.db2.gz SHJRSZQTRDOQSR-UHFFFAOYSA-N -1 0 367.415 -0.565 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@H]2O)no1 ZINC000349540324 484178516 /nfs/dbraw/zinc/17/85/16/484178516.db2.gz YQWFTXLOLCOSFP-NXEZZACHSA-N -1 0 368.437 -0.657 20 0 FBADRM CN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nncs2)CC1 ZINC000349540485 484177765 /nfs/dbraw/zinc/17/77/65/484177765.db2.gz UFGYKRYLHBNERQ-UHFFFAOYSA-N -1 0 369.494 -0.753 20 0 FBADRM CCC1(NS(=O)(=O)CCCS(=O)(=O)[N-]c2ncn(C)n2)CC1 ZINC000349540688 484178258 /nfs/dbraw/zinc/17/82/58/484178258.db2.gz KEIPGAAZXDDKLB-UHFFFAOYSA-N -1 0 351.454 -0.191 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2C[C@@](C)(O)C2)no1 ZINC000349540692 484571185 /nfs/dbraw/zinc/57/11/85/484571185.db2.gz KGEUQDTXSICYIA-JGZJWPJOSA-N -1 0 368.437 -0.657 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]2C2CC2)nn1 ZINC000349540693 484178093 /nfs/dbraw/zinc/17/80/93/484178093.db2.gz KGKPEWPGWRIACE-WDEREUQCSA-N -1 0 363.465 -0.335 20 0 FBADRM Cc1onc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)c1C ZINC000349540825 484178439 /nfs/dbraw/zinc/17/84/39/484178439.db2.gz UUZFTMGXBZJQAX-GHMZBOCLSA-N -1 0 367.449 -0.134 20 0 FBADRM CN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)CC1 ZINC000349540869 484178331 /nfs/dbraw/zinc/17/83/31/484178331.db2.gz VFZIYTJEUNCUPL-UHFFFAOYSA-N -1 0 352.438 -0.616 20 0 FBADRM CCC1(NS(=O)(=O)CCCS(=O)(=O)[N-]c2cn(C)nn2)CC1 ZINC000349541199 484570857 /nfs/dbraw/zinc/57/08/57/484570857.db2.gz LDUZEEQOKZDBCJ-UHFFFAOYSA-N -1 0 351.454 -0.191 20 0 FBADRM CC1(C)[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C[C@@H]1O ZINC000349542114 484177830 /nfs/dbraw/zinc/17/78/30/484177830.db2.gz MVSIDFAWXRHSPP-BDAKNGLRSA-N -1 0 367.453 -0.985 20 0 FBADRM CC1(C)[C@H](O)C[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349542115 484178702 /nfs/dbraw/zinc/17/87/02/484178702.db2.gz MVSIDFAWXRHSPP-DTWKUNHWSA-N -1 0 367.453 -0.985 20 0 FBADRM CC1(C)[C@@H](O)C[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349542116 484177878 /nfs/dbraw/zinc/17/78/78/484177878.db2.gz MVSIDFAWXRHSPP-IUCAKERBSA-N -1 0 367.453 -0.985 20 0 FBADRM CC1(C)[C@H](O)C[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349542117 484177897 /nfs/dbraw/zinc/17/78/97/484177897.db2.gz MVSIDFAWXRHSPP-RKDXNWHRSA-N -1 0 367.453 -0.985 20 0 FBADRM CN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)CC1 ZINC000349542326 484571194 /nfs/dbraw/zinc/57/11/94/484571194.db2.gz XUDPVSBZBWMEHN-UHFFFAOYSA-N -1 0 363.465 -0.814 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NC2CC(C)(F)C2)n1 ZINC000349542382 484177920 /nfs/dbraw/zinc/17/79/20/484177920.db2.gz NFEUPGFIIKUHAL-UHFFFAOYSA-N -1 0 369.444 -0.243 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)n1 ZINC000349542774 484178575 /nfs/dbraw/zinc/17/85/75/484178575.db2.gz NXZVRNPKKVBTJC-JGPRNRPPSA-N -1 0 363.465 -0.335 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2[C@@H]3CCC[C@@H]32)n1 ZINC000349542775 484177970 /nfs/dbraw/zinc/17/79/70/484177970.db2.gz NXZVRNPKKVBTJC-URLYPYJESA-N -1 0 363.465 -0.335 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000349542827 484178019 /nfs/dbraw/zinc/17/80/19/484178019.db2.gz OFKKNJFBZXLOOS-KLPPZKSPSA-N -1 0 367.449 -0.052 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)[N-]c1nc[nH]n1 ZINC000349542847 485262390 /nfs/dbraw/zinc/26/23/90/485262390.db2.gz YCHHCKOLANKEHW-BBBLOLIVSA-N -1 0 365.437 -0.824 20 0 FBADRM CC1(C)COC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349543264 484178741 /nfs/dbraw/zinc/17/87/41/484178741.db2.gz AENHZZLANNNNIT-SECBINFHSA-N -1 0 367.453 -0.719 20 0 FBADRM CC1(C)COC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349543265 484178474 /nfs/dbraw/zinc/17/84/74/484178474.db2.gz AENHZZLANNNNIT-VIFPVBQESA-N -1 0 367.453 -0.719 20 0 FBADRM Cc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)CCO)s1 ZINC000349543730 484178079 /nfs/dbraw/zinc/17/80/79/484178079.db2.gz ZSQMJEXLDDCZKP-UHFFFAOYSA-N -1 0 358.467 -0.768 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)no1 ZINC000349545466 485261659 /nfs/dbraw/zinc/26/16/59/485261659.db2.gz ACGXSFUXZJIJRD-SECBINFHSA-N -1 0 368.437 -0.528 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCSC2)no1 ZINC000349545474 484178422 /nfs/dbraw/zinc/17/84/22/484178422.db2.gz AFSSSCKRLRFTHM-SECBINFHSA-N -1 0 370.478 -0.065 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCSC2)no1 ZINC000349545475 484177742 /nfs/dbraw/zinc/17/77/42/484177742.db2.gz AFSSSCKRLRFTHM-VIFPVBQESA-N -1 0 370.478 -0.065 20 0 FBADRM C[C@@]1(O)C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nncs2)C1 ZINC000349545886 484570472 /nfs/dbraw/zinc/57/04/72/484570472.db2.gz RTQAEQFVZKVRJZ-WAAGHKOSSA-N -1 0 370.478 -0.497 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H](C)C2CC2)nn1C ZINC000349546141 485261509 /nfs/dbraw/zinc/26/15/09/485261509.db2.gz BEZVFGPSLRZAIL-SECBINFHSA-N -1 0 365.481 -0.027 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C2CC2)nn1C ZINC000349546143 484571629 /nfs/dbraw/zinc/57/16/29/484571629.db2.gz BEZVFGPSLRZAIL-VIFPVBQESA-N -1 0 365.481 -0.027 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C=CCCC2)n1 ZINC000349546192 484178147 /nfs/dbraw/zinc/17/81/47/484178147.db2.gz BHXFKTGDSTVLMQ-LLVKDONJSA-N -1 0 363.465 -0.025 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2C=CCCC2)n1 ZINC000349546193 484178059 /nfs/dbraw/zinc/17/80/59/484178059.db2.gz BHXFKTGDSTVLMQ-NSHDSACASA-N -1 0 363.465 -0.025 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@@H]1CC[C@@H](O)C1)[N-]c1ccon1 ZINC000349546486 484043338 /nfs/dbraw/zinc/04/33/38/484043338.db2.gz DGZNCJXGAOVSOK-GHMZBOCLSA-N -1 0 367.449 -0.113 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@@H]1CC[C@H](O)C1)[N-]c1ccon1 ZINC000349546488 484043667 /nfs/dbraw/zinc/04/36/67/484043667.db2.gz DGZNCJXGAOVSOK-MNOVXSKESA-N -1 0 367.449 -0.113 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@H]1CC[C@H](O)C1)[N-]c1ccon1 ZINC000349546490 484043959 /nfs/dbraw/zinc/04/39/59/484043959.db2.gz DGZNCJXGAOVSOK-QWRGUYRKSA-N -1 0 367.449 -0.113 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@H]1CC[C@@H](O)C1)[N-]c1ccon1 ZINC000349546491 485262572 /nfs/dbraw/zinc/26/25/72/485262572.db2.gz DGZNCJXGAOVSOK-WDEREUQCSA-N -1 0 367.449 -0.113 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCOC1)[N-]c1nccs1 ZINC000349547156 485262774 /nfs/dbraw/zinc/26/27/74/485262774.db2.gz CIZPQBJPUDKVFP-SECBINFHSA-N -1 0 355.463 -0.017 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]3C[C@H]3C2)nn1 ZINC000349547655 484177950 /nfs/dbraw/zinc/17/79/50/484177950.db2.gz VKHJIYMRJBIASL-JGPRNRPPSA-N -1 0 363.465 -0.335 20 0 FBADRM NC(=O)C1(NS(=O)(=O)CCCS(=O)(=O)[N-]c2nccs2)CC1 ZINC000349548239 485262703 /nfs/dbraw/zinc/26/27/03/485262703.db2.gz FBMSNCUBSMPIJF-UHFFFAOYSA-N -1 0 368.462 -0.788 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H](C)C2CC2)nnn1C ZINC000349548259 484572221 /nfs/dbraw/zinc/57/22/21/484572221.db2.gz FGWJVCSRVGFIOQ-SECBINFHSA-N -1 0 365.481 -0.027 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C2CC2)nnn1C ZINC000349548260 484572397 /nfs/dbraw/zinc/57/23/97/484572397.db2.gz FGWJVCSRVGFIOQ-VIFPVBQESA-N -1 0 365.481 -0.027 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)no1 ZINC000349548267 485262297 /nfs/dbraw/zinc/26/22/97/485262297.db2.gz FIGYKLVWQTVDJI-SNVBAGLBSA-N -1 0 353.422 -0.177 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2C[C@@](C)(O)C2)n1 ZINC000349548323 484177729 /nfs/dbraw/zinc/17/77/29/484177729.db2.gz WJBOKUXLTMSAOE-KLPPZKSPSA-N -1 0 366.465 -0.615 20 0 FBADRM C[C@@]1(O)C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)C1 ZINC000349548376 484177820 /nfs/dbraw/zinc/17/78/20/484177820.db2.gz WXRCJHLCPKNPPZ-KLPPZKSPSA-N -1 0 364.449 -0.559 20 0 FBADRM C[C@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cn(C)nn1 ZINC000349548388 484178006 /nfs/dbraw/zinc/17/80/06/484178006.db2.gz WZRZKQKUBIDHLC-NXEZZACHSA-N -1 0 367.453 -0.956 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCOC1)[N-]c1ncccn1 ZINC000349548650 485262328 /nfs/dbraw/zinc/26/23/28/485262328.db2.gz FWAJQHYWEIJBRO-SNVBAGLBSA-N -1 0 350.422 -0.683 20 0 FBADRM CCc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)o1 ZINC000349549602 485262858 /nfs/dbraw/zinc/26/28/58/485262858.db2.gz HMURUTAZJSBICC-SECBINFHSA-N -1 0 368.437 -0.528 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000349549944 484177688 /nfs/dbraw/zinc/17/76/88/484177688.db2.gz ZYANDZYPXDCUKK-JGPRNRPPSA-N -1 0 363.465 -0.335 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NC2CC(C)C2)nn1C ZINC000349550477 484178245 /nfs/dbraw/zinc/17/82/45/484178245.db2.gz IIRLTPJSACWDJH-UHFFFAOYSA-N -1 0 365.481 -0.027 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCSC2)n1 ZINC000349550509 484179725 /nfs/dbraw/zinc/17/97/25/484179725.db2.gz IPBKOZOGHVABRU-SECBINFHSA-N -1 0 369.494 -0.628 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCSC2)n1 ZINC000349550511 484180004 /nfs/dbraw/zinc/18/00/04/484180004.db2.gz IPBKOZOGHVABRU-VIFPVBQESA-N -1 0 369.494 -0.628 20 0 FBADRM CNC(=O)[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C)on1 ZINC000349550842 484572130 /nfs/dbraw/zinc/57/21/30/484572130.db2.gz JONXRGBTCGLQGO-SECBINFHSA-N -1 0 368.437 -0.831 20 0 FBADRM C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cn(C)nn1)C1CC1 ZINC000349551127 484179617 /nfs/dbraw/zinc/17/96/17/484179617.db2.gz KEIREYFALJUQEJ-SECBINFHSA-N -1 0 351.454 -0.335 20 0 FBADRM C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cn(C)nn1)C1CC1 ZINC000349551128 484571746 /nfs/dbraw/zinc/57/17/46/484571746.db2.gz KEIREYFALJUQEJ-VIFPVBQESA-N -1 0 351.454 -0.335 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@H]1CCSC1)[N-]c1nc[nH]n1 ZINC000349551213 484180208 /nfs/dbraw/zinc/18/02/08/484180208.db2.gz INISWNFQGQHQHD-SECBINFHSA-N -1 0 369.494 -0.391 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@@H]1CCSC1)[N-]c1nc[nH]n1 ZINC000349551214 484180282 /nfs/dbraw/zinc/18/02/82/484180282.db2.gz INISWNFQGQHQHD-VIFPVBQESA-N -1 0 369.494 -0.391 20 0 FBADRM NC(=O)C1(NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)CCC1 ZINC000349551245 485263359 /nfs/dbraw/zinc/26/33/59/485263359.db2.gz IUHWSIZKXASMDQ-UHFFFAOYSA-N -1 0 366.421 -0.866 20 0 FBADRM CC1CC(NS(=O)(=O)CCCS(=O)(=O)[N-]c2ncn(C)n2)C1 ZINC000349551894 484180417 /nfs/dbraw/zinc/18/04/17/484180417.db2.gz LOLATURNSBOYSH-UHFFFAOYSA-N -1 0 351.454 -0.335 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCOC1)[N-]c1nncs1 ZINC000349551922 485264038 /nfs/dbraw/zinc/26/40/38/485264038.db2.gz LTBAGSWIRAJDQU-MRVPVSSYSA-N -1 0 356.451 -0.622 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCOC1 ZINC000349551952 485263282 /nfs/dbraw/zinc/26/32/82/485263282.db2.gz LZNWMCVDKMBGPW-SNVBAGLBSA-N -1 0 353.422 -0.177 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(C)CC2)nn1C ZINC000349552070 484572095 /nfs/dbraw/zinc/57/20/95/484572095.db2.gz JIWSPGWPDPWUBH-UHFFFAOYSA-N -1 0 365.481 -0.025 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(C)CC2)nn1 ZINC000349552519 484179322 /nfs/dbraw/zinc/17/93/22/484179322.db2.gz KDELEHOKLZKWFE-UHFFFAOYSA-N -1 0 351.454 -0.334 20 0 FBADRM CC1CC(NS(=O)(=O)CCCS(=O)(=O)[N-]c2cn(C)nn2)C1 ZINC000349552680 484179444 /nfs/dbraw/zinc/17/94/44/484179444.db2.gz NHZWDIWKLYVACX-UHFFFAOYSA-N -1 0 351.454 -0.335 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(C)CC2)n1 ZINC000349552889 484179275 /nfs/dbraw/zinc/17/92/75/484179275.db2.gz KMFREXYLPQZYFW-UHFFFAOYSA-N -1 0 351.454 -0.334 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NCc2ccc[nH]2)no1 ZINC000349552954 484572312 /nfs/dbraw/zinc/57/23/12/484572312.db2.gz KWEXCNKHKUMCEL-UHFFFAOYSA-N -1 0 363.421 -0.042 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCSC2)n1 ZINC000349554239 484572282 /nfs/dbraw/zinc/57/22/82/484572282.db2.gz RCYJEVVMDIIUCD-JTQLQIEISA-N -1 0 368.506 -0.023 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCSC2)n1 ZINC000349554241 484571670 /nfs/dbraw/zinc/57/16/70/484571670.db2.gz RCYJEVVMDIIUCD-SNVBAGLBSA-N -1 0 368.506 -0.023 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)n1 ZINC000349554247 485263682 /nfs/dbraw/zinc/26/36/82/485263682.db2.gz RDZHOWCGZZNJGR-SNVBAGLBSA-N -1 0 352.438 -0.740 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@@H](F)C2)n1 ZINC000349555076 484180057 /nfs/dbraw/zinc/18/00/57/484180057.db2.gz NCTPHEDZOIELOB-NXEZZACHSA-N -1 0 369.444 -0.243 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CC[C@H](F)C2)n1 ZINC000349555077 484179649 /nfs/dbraw/zinc/17/96/49/484179649.db2.gz NCTPHEDZOIELOB-UWVGGRQHSA-N -1 0 369.444 -0.243 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H](F)C2)n1 ZINC000349555078 484180344 /nfs/dbraw/zinc/18/03/44/484180344.db2.gz NCTPHEDZOIELOB-VHSXEESVSA-N -1 0 369.444 -0.243 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CC[C@@H](F)C2)n1 ZINC000349555079 484179790 /nfs/dbraw/zinc/17/97/90/484179790.db2.gz NCTPHEDZOIELOB-ZJUUUORDSA-N -1 0 369.444 -0.243 20 0 FBADRM CNC(=O)[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nccs1 ZINC000349555907 484180448 /nfs/dbraw/zinc/18/04/48/484180448.db2.gz VFUOJQLRHAGKJX-MRVPVSSYSA-N -1 0 370.478 -0.671 20 0 FBADRM Cc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)s1 ZINC000349556352 485263512 /nfs/dbraw/zinc/26/35/12/485263512.db2.gz WMWWYHGXZKGMGD-SECBINFHSA-N -1 0 370.478 -0.313 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(C)CC2)nnn1C ZINC000349556454 485263724 /nfs/dbraw/zinc/26/37/24/485263724.db2.gz OWJQQNRXRIUTCS-UHFFFAOYSA-N -1 0 365.481 -0.025 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)no1 ZINC000349556570 485263773 /nfs/dbraw/zinc/26/37/73/485263773.db2.gz WQGXVJWOCMPLED-SECBINFHSA-N -1 0 354.410 -0.782 20 0 FBADRM C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1)C1CC1 ZINC000349556996 484180249 /nfs/dbraw/zinc/18/02/49/484180249.db2.gz XTQNFGFLZGIPLR-SECBINFHSA-N -1 0 351.454 -0.335 20 0 FBADRM C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1)C1CC1 ZINC000349556997 484179741 /nfs/dbraw/zinc/17/97/41/484179741.db2.gz XTQNFGFLZGIPLR-VIFPVBQESA-N -1 0 351.454 -0.335 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)NC2CC(C)C2)nnn1C ZINC000349557485 484180402 /nfs/dbraw/zinc/18/04/02/484180402.db2.gz YXRXNBXKKIHXFK-UHFFFAOYSA-N -1 0 365.481 -0.027 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)no1 ZINC000349557927 485263486 /nfs/dbraw/zinc/26/34/86/485263486.db2.gz ACGXSFUXZJIJRD-VIFPVBQESA-N -1 0 368.437 -0.528 20 0 FBADRM C[C@@H]1CC[C@H](CNS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)O1 ZINC000349558525 485263451 /nfs/dbraw/zinc/26/34/51/485263451.db2.gz RWGHDIQOORKEHP-NXEZZACHSA-N -1 0 367.453 -0.577 20 0 FBADRM C[C@H]1CC[C@@H](CNS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)O1 ZINC000349558526 485263372 /nfs/dbraw/zinc/26/33/72/485263372.db2.gz RWGHDIQOORKEHP-UWVGGRQHSA-N -1 0 367.453 -0.577 20 0 FBADRM C[C@H]1CC[C@H](CNS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)O1 ZINC000349558527 485263948 /nfs/dbraw/zinc/26/39/48/485263948.db2.gz RWGHDIQOORKEHP-VHSXEESVSA-N -1 0 367.453 -0.577 20 0 FBADRM C[C@@H]1CC[C@@H](CNS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)O1 ZINC000349558528 485263845 /nfs/dbraw/zinc/26/38/45/485263845.db2.gz RWGHDIQOORKEHP-ZJUUUORDSA-N -1 0 367.453 -0.577 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NCc2ccco2)n1 ZINC000349559954 484572039 /nfs/dbraw/zinc/57/20/39/484572039.db2.gz ALEMXWYWXGQHKS-UHFFFAOYSA-N -1 0 363.421 -0.341 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H](C)O)nc1 ZINC000349560050 660104390 /nfs/dbraw/zinc/10/43/90/660104390.db2.gz AJAPVJKKGKTBEK-SNVBAGLBSA-N -1 0 352.438 -0.783 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCCC2)n1 ZINC000349560386 484180233 /nfs/dbraw/zinc/18/02/33/484180233.db2.gz BRYHQCQILLVYGB-UHFFFAOYSA-N -1 0 351.454 -0.237 20 0 FBADRM Cc1onc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H](C)O)c1C ZINC000349560429 484179527 /nfs/dbraw/zinc/17/95/27/484179527.db2.gz AYORBTNEWHSZCQ-MRVPVSSYSA-N -1 0 355.438 -0.277 20 0 FBADRM Cc1noc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H](C)O)c1C ZINC000349560477 484180378 /nfs/dbraw/zinc/18/03/78/484180378.db2.gz BJVPLTDSXHXLMY-MRVPVSSYSA-N -1 0 355.438 -0.277 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N[C@@H]1CCOC1)Nc1ccnnc1 ZINC000349560634 846214767 /nfs/dbraw/zinc/21/47/67/846214767.db2.gz CAFIQUSVCRGKFP-GFCCVEGCSA-N -1 0 364.449 -0.293 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N[C@H]1CCOC1)Nc1ccnnc1 ZINC000349560635 846214925 /nfs/dbraw/zinc/21/49/25/846214925.db2.gz CAFIQUSVCRGKFP-LBPRGKRZSA-N -1 0 364.449 -0.293 20 0 FBADRM COc1cc([N-]S(=O)(=O)CCCCS(=O)(=O)N(C)C)ncn1 ZINC000349560683 484179554 /nfs/dbraw/zinc/17/95/54/484179554.db2.gz CKIGMSLJALECIS-UHFFFAOYSA-N -1 0 352.438 -0.102 20 0 FBADRM CN(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1nc2ccccn2n1 ZINC000349560690 484179639 /nfs/dbraw/zinc/17/96/39/484179639.db2.gz CMQCQKQPTWTZSA-UHFFFAOYSA-N -1 0 361.449 0.143 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)NC2CC=CC2)n1 ZINC000349561144 485263206 /nfs/dbraw/zinc/26/32/06/485263206.db2.gz DNWXFVFMDMHZOT-UHFFFAOYSA-N -1 0 363.465 -0.025 20 0 FBADRM Cc1noc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H](C)CO)c1C ZINC000349561417 485263690 /nfs/dbraw/zinc/26/36/90/485263690.db2.gz CVAFDPNLNCVQES-MRVPVSSYSA-N -1 0 355.438 -0.277 20 0 FBADRM Cc1noc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)CO)c1C ZINC000349561418 484179817 /nfs/dbraw/zinc/17/98/17/484179817.db2.gz CVAFDPNLNCVQES-QMMMGPOBSA-N -1 0 355.438 -0.277 20 0 FBADRM C[C@@H]1C[C@@H]1CNS(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1 ZINC000349561434 484572054 /nfs/dbraw/zinc/57/20/54/484572054.db2.gz CZSKUCILOVIODR-NXEZZACHSA-N -1 0 351.454 -0.478 20 0 FBADRM C[C@H]1C[C@H]1CNS(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1 ZINC000349561435 484572002 /nfs/dbraw/zinc/57/20/02/484572002.db2.gz CZSKUCILOVIODR-UWVGGRQHSA-N -1 0 351.454 -0.478 20 0 FBADRM C[C@H]1C[C@@H]1CNS(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1 ZINC000349561436 484572148 /nfs/dbraw/zinc/57/21/48/484572148.db2.gz CZSKUCILOVIODR-VHSXEESVSA-N -1 0 351.454 -0.478 20 0 FBADRM C[C@@H]1C[C@H]1CNS(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1 ZINC000349561437 484571608 /nfs/dbraw/zinc/57/16/08/484571608.db2.gz CZSKUCILOVIODR-ZJUUUORDSA-N -1 0 351.454 -0.478 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N[C@H]1CCOC1)[N-]c1ccon1 ZINC000349561567 485263997 /nfs/dbraw/zinc/26/39/97/485263997.db2.gz DTDIZBGJNFLTCU-JTQLQIEISA-N -1 0 353.422 -0.095 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N[C@@H]1CCOC1)[N-]c1ccon1 ZINC000349561568 485263575 /nfs/dbraw/zinc/26/35/75/485263575.db2.gz DTDIZBGJNFLTCU-SNVBAGLBSA-N -1 0 353.422 -0.095 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2CCC2)nn1 ZINC000349561918 484179290 /nfs/dbraw/zinc/17/92/90/484179290.db2.gz DLCCWCFIYKZQTI-UHFFFAOYSA-N -1 0 351.454 -0.334 20 0 FBADRM C[C@@H]1C[C@@H]1CNS(=O)(=O)CCCS(=O)(=O)[N-]c1cn(C)nn1 ZINC000349561962 484179583 /nfs/dbraw/zinc/17/95/83/484179583.db2.gz DQJCDWZKSAJPMC-NXEZZACHSA-N -1 0 351.454 -0.478 20 0 FBADRM C[C@H]1C[C@H]1CNS(=O)(=O)CCCS(=O)(=O)[N-]c1cn(C)nn1 ZINC000349561965 484179767 /nfs/dbraw/zinc/17/97/67/484179767.db2.gz DQJCDWZKSAJPMC-UWVGGRQHSA-N -1 0 351.454 -0.478 20 0 FBADRM C[C@H]1C[C@@H]1CNS(=O)(=O)CCCS(=O)(=O)[N-]c1cn(C)nn1 ZINC000349561967 484180075 /nfs/dbraw/zinc/18/00/75/484180075.db2.gz DQJCDWZKSAJPMC-VHSXEESVSA-N -1 0 351.454 -0.478 20 0 FBADRM C[C@@H]1C[C@H]1CNS(=O)(=O)CCCS(=O)(=O)[N-]c1cn(C)nn1 ZINC000349561971 484179432 /nfs/dbraw/zinc/17/94/32/484179432.db2.gz DQJCDWZKSAJPMC-ZJUUUORDSA-N -1 0 351.454 -0.478 20 0 FBADRM CCN(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1nc(C)n(C)n1 ZINC000349562147 484572334 /nfs/dbraw/zinc/57/23/34/484572334.db2.gz FXDJBRQIEYVFMZ-UHFFFAOYSA-N -1 0 353.470 -0.073 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2CCC2)nn1C ZINC000349562460 484179901 /nfs/dbraw/zinc/17/99/01/484179901.db2.gz DUERSSOATXCJKQ-UHFFFAOYSA-N -1 0 365.481 -0.025 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)nc1 ZINC000349563001 660104378 /nfs/dbraw/zinc/10/43/78/660104378.db2.gz BJTRWLDPYCPSBX-NSHDSACASA-N -1 0 364.449 -0.375 20 0 FBADRM Cc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H](C)CO)s1 ZINC000349563061 485262364 /nfs/dbraw/zinc/26/23/64/485262364.db2.gz FRODAGZBWIEQOI-SSDOTTSWSA-N -1 0 358.467 -0.721 20 0 FBADRM Cc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)CO)s1 ZINC000349563062 484571734 /nfs/dbraw/zinc/57/17/34/484571734.db2.gz FRODAGZBWIEQOI-ZETCQYMHSA-N -1 0 358.467 -0.721 20 0 FBADRM Cc1onc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)CO)c1C ZINC000349563622 485262532 /nfs/dbraw/zinc/26/25/32/485262532.db2.gz GHGUZLIMRCCEBN-QMMMGPOBSA-N -1 0 355.438 -0.277 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)NCC2CC2)nnn1C ZINC000349563693 484180172 /nfs/dbraw/zinc/18/01/72/484180172.db2.gz GPNHRVYPLQCMLJ-UHFFFAOYSA-N -1 0 351.454 -0.415 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N[C@@H]1CCOC1)[N-]c1nncs1 ZINC000349563950 846215213 /nfs/dbraw/zinc/21/52/13/846215213.db2.gz IWAKIVAULFBNPT-SECBINFHSA-N -1 0 370.478 -0.232 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N[C@H]1CCOC1)[N-]c1nncs1 ZINC000349563953 846215375 /nfs/dbraw/zinc/21/53/75/846215375.db2.gz IWAKIVAULFBNPT-VIFPVBQESA-N -1 0 370.478 -0.232 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@H]2CCOC2)n1 ZINC000349564016 846215355 /nfs/dbraw/zinc/21/53/55/846215355.db2.gz JGAGREDAUFXDNJ-JTQLQIEISA-N -1 0 367.453 -0.955 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CCOC2)n1 ZINC000349564020 846215930 /nfs/dbraw/zinc/21/59/30/846215930.db2.gz JGAGREDAUFXDNJ-SNVBAGLBSA-N -1 0 367.453 -0.955 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)NCc2ccco2)nn1 ZINC000349564531 484571544 /nfs/dbraw/zinc/57/15/44/484571544.db2.gz JSZHTUVDJBECRR-UHFFFAOYSA-N -1 0 363.421 -0.341 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NCC1CC1)[N-]c1nc2ccccn2n1 ZINC000349564777 484382518 /nfs/dbraw/zinc/38/25/18/484382518.db2.gz HYYKHWMHPWZSJH-UHFFFAOYSA-N -1 0 373.460 0.191 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NCC1(O)CCC1)[N-]c1nncs1 ZINC000349564852 484180301 /nfs/dbraw/zinc/18/03/01/484180301.db2.gz IDJBXZLEAUGZAR-UHFFFAOYSA-N -1 0 370.478 -0.496 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NCC1CC1)N=c1nc2ncccn2[n-]1 ZINC000349564897 485263622 /nfs/dbraw/zinc/26/36/22/485263622.db2.gz IJXQURQKERJQPZ-UHFFFAOYSA-N -1 0 374.448 -0.993 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@H]1CCOC1)[N-]c1nccs1 ZINC000349564936 485263331 /nfs/dbraw/zinc/26/33/31/485263331.db2.gz CIZPQBJPUDKVFP-VIFPVBQESA-N -1 0 355.463 -0.017 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCCS(=O)(=O)NC(C)C)nn1C ZINC000349565585 485263763 /nfs/dbraw/zinc/26/37/63/485263763.db2.gz LSCIMAOXWSXAGV-UHFFFAOYSA-N -1 0 353.470 -0.027 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)(C)C)n1 ZINC000349565658 484567985 /nfs/dbraw/zinc/56/79/85/484567985.db2.gz JISTUTSMEXKLDD-UHFFFAOYSA-N -1 0 353.470 -0.088 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2C[C@@H]2C)nn1C ZINC000349566129 484181027 /nfs/dbraw/zinc/18/10/27/484181027.db2.gz KMBNURGEHVQHAR-GXSJLCMTSA-N -1 0 365.481 -0.169 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2C[C@H]2C)nn1C ZINC000349566130 484181778 /nfs/dbraw/zinc/18/17/78/484181778.db2.gz KMBNURGEHVQHAR-KOLCDFICSA-N -1 0 365.481 -0.169 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2C[C@H]2C)nn1C ZINC000349566131 484180901 /nfs/dbraw/zinc/18/09/01/484180901.db2.gz KMBNURGEHVQHAR-MWLCHTKSSA-N -1 0 365.481 -0.169 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2C[C@@H]2C)nn1C ZINC000349566132 484181011 /nfs/dbraw/zinc/18/10/11/484181011.db2.gz KMBNURGEHVQHAR-ONGXEEELSA-N -1 0 365.481 -0.169 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2[C@@H]3COC[C@@H]32)no1 ZINC000349566205 484568146 /nfs/dbraw/zinc/56/81/46/484568146.db2.gz DMINLUSOSGPUHV-MYJAWHEDSA-N -1 0 366.421 -0.926 20 0 FBADRM C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nncs2)CO1 ZINC000349566335 484568254 /nfs/dbraw/zinc/56/82/54/484568254.db2.gz DRUHPVRTTQDQFQ-BDAKNGLRSA-N -1 0 370.478 -0.233 20 0 FBADRM C[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nncs2)CO1 ZINC000349566338 484568456 /nfs/dbraw/zinc/56/84/56/484568456.db2.gz DRUHPVRTTQDQFQ-DTWKUNHWSA-N -1 0 370.478 -0.233 20 0 FBADRM C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nncs2)CO1 ZINC000349566341 484568496 /nfs/dbraw/zinc/56/84/96/484568496.db2.gz DRUHPVRTTQDQFQ-IUCAKERBSA-N -1 0 370.478 -0.233 20 0 FBADRM C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nncs2)CO1 ZINC000349566345 484568303 /nfs/dbraw/zinc/56/83/03/484568303.db2.gz DRUHPVRTTQDQFQ-RKDXNWHRSA-N -1 0 370.478 -0.233 20 0 FBADRM Cc1csc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C(N)=O)n1 ZINC000349566592 484181656 /nfs/dbraw/zinc/18/16/56/484181656.db2.gz KXHQPQZQDWRQGU-QMMMGPOBSA-N -1 0 370.478 -0.623 20 0 FBADRM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)CO)n1 ZINC000349566614 484180827 /nfs/dbraw/zinc/18/08/27/484180827.db2.gz LCVAEHQYBBZNDK-JTQLQIEISA-N -1 0 352.438 -0.783 20 0 FBADRM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H](C)CO)n1 ZINC000349566615 485265153 /nfs/dbraw/zinc/26/51/53/485265153.db2.gz LCVAEHQYBBZNDK-SNVBAGLBSA-N -1 0 352.438 -0.783 20 0 FBADRM CSc1nc([N-]S(=O)(=O)CCCCS(=O)(=O)N(C)C)n[nH]1 ZINC000349566704 484181604 /nfs/dbraw/zinc/18/16/04/484181604.db2.gz OIIBPCXDSGZSCY-UHFFFAOYSA-N -1 0 357.483 -0.060 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)NC2CCC2)n1 ZINC000349566741 485265126 /nfs/dbraw/zinc/26/51/26/485265126.db2.gz OSTGNRBVSVLJAF-UHFFFAOYSA-N -1 0 351.454 -0.191 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)no1 ZINC000349566959 485265210 /nfs/dbraw/zinc/26/52/10/485265210.db2.gz FIGYKLVWQTVDJI-JTQLQIEISA-N -1 0 353.422 -0.177 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(O)CCC2)n1 ZINC000349567007 484181328 /nfs/dbraw/zinc/18/13/28/484181328.db2.gz LXUZMQMJGZHROQ-UHFFFAOYSA-N -1 0 366.465 -0.614 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2C[C@@H]2C)nnn1C ZINC000349567045 484181453 /nfs/dbraw/zinc/18/14/53/484181453.db2.gz MGKZYGWHIYUPGB-GXSJLCMTSA-N -1 0 365.481 -0.169 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2C[C@H]2C)nnn1C ZINC000349567046 484181432 /nfs/dbraw/zinc/18/14/32/484181432.db2.gz MGKZYGWHIYUPGB-KOLCDFICSA-N -1 0 365.481 -0.169 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2C[C@H]2C)nnn1C ZINC000349567047 484181344 /nfs/dbraw/zinc/18/13/44/484181344.db2.gz MGKZYGWHIYUPGB-MWLCHTKSSA-N -1 0 365.481 -0.169 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2C[C@@H]2C)nnn1C ZINC000349567048 484181415 /nfs/dbraw/zinc/18/14/15/484181415.db2.gz MGKZYGWHIYUPGB-ONGXEEELSA-N -1 0 365.481 -0.169 20 0 FBADRM COc1ccc([N-]S(=O)(=O)CCCCS(=O)(=O)N(C)C)nn1 ZINC000349567137 484181073 /nfs/dbraw/zinc/18/10/73/484181073.db2.gz PNFKEOCOHOOKRP-UHFFFAOYSA-N -1 0 352.438 -0.102 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@H]2CCOC2)no1 ZINC000349567227 485264791 /nfs/dbraw/zinc/26/47/91/485264791.db2.gz QFLHAWJZTABILJ-JTQLQIEISA-N -1 0 368.437 -0.392 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CCOC2)no1 ZINC000349567230 485265252 /nfs/dbraw/zinc/26/52/52/485265252.db2.gz QFLHAWJZTABILJ-SNVBAGLBSA-N -1 0 368.437 -0.392 20 0 FBADRM C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nccs1)C(N)=O ZINC000349567352 484567842 /nfs/dbraw/zinc/56/78/42/484567842.db2.gz NDBVBMNPYIMCQL-ZETCQYMHSA-N -1 0 356.451 -0.932 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@H]1CCOC1)[N-]c1ncccn1 ZINC000349567428 485264555 /nfs/dbraw/zinc/26/45/55/485264555.db2.gz FWAJQHYWEIJBRO-JTQLQIEISA-N -1 0 350.422 -0.683 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NCC1(O)CCC1)[N-]c1ncccn1 ZINC000349567710 484181496 /nfs/dbraw/zinc/18/14/96/484181496.db2.gz NOSVSTWJVKPUQP-UHFFFAOYSA-N -1 0 364.449 -0.557 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2[C@@H]3COC[C@@H]32)no1 ZINC000349568021 484181319 /nfs/dbraw/zinc/18/13/19/484181319.db2.gz GKNJWLOUEQEMBE-IAZYJMLFSA-N -1 0 365.433 -0.321 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N[C@@H]1CCOC1)[N-]c1ncccn1 ZINC000349568315 485265311 /nfs/dbraw/zinc/26/53/11/485265311.db2.gz SLIKUPKLPADWMB-LLVKDONJSA-N -1 0 364.449 -0.293 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N[C@H]1CCOC1)[N-]c1ncccn1 ZINC000349568316 485265096 /nfs/dbraw/zinc/26/50/96/485265096.db2.gz SLIKUPKLPADWMB-NSHDSACASA-N -1 0 364.449 -0.293 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCCC1)[N-]c1nc2ncccn2n1 ZINC000349568672 484380705 /nfs/dbraw/zinc/38/07/05/484380705.db2.gz ACGPFDDFUSKXNA-UHFFFAOYSA-N -1 0 374.448 -0.318 20 0 FBADRM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H](C)O)n1 ZINC000349568804 484181042 /nfs/dbraw/zinc/18/10/42/484181042.db2.gz PDHHUWKJMFIEPW-SNVBAGLBSA-N -1 0 352.438 -0.783 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C(N)=O)s1 ZINC000349568813 484181264 /nfs/dbraw/zinc/18/12/64/484181264.db2.gz PEBPQSWEYUTPNU-QMMMGPOBSA-N -1 0 370.478 -0.623 20 0 FBADRM CCc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)o1 ZINC000349569043 485265105 /nfs/dbraw/zinc/26/51/05/485265105.db2.gz HMURUTAZJSBICC-VIFPVBQESA-N -1 0 368.437 -0.528 20 0 FBADRM COc1cncc([N-]S(=O)(=O)CCCCS(=O)(=O)N(C)C)n1 ZINC000349569163 485264484 /nfs/dbraw/zinc/26/44/84/485264484.db2.gz UYELANDSININGF-UHFFFAOYSA-N -1 0 352.438 -0.680 20 0 FBADRM COc1cc([N-]S(=O)(=O)CCCS(=O)(=O)NC(C)C)ncn1 ZINC000349569406 484181905 /nfs/dbraw/zinc/18/19/05/484181905.db2.gz BPSNZIBNWZDOQB-UHFFFAOYSA-N -1 0 352.438 -0.055 20 0 FBADRM CC(C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc2ncccn2n1 ZINC000349569417 484205812 /nfs/dbraw/zinc/20/58/12/484205812.db2.gz BTHPGLIURDGAQK-UHFFFAOYSA-N -1 0 362.437 -0.416 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@@H]1CCCCO1)[N-]c1nc[nH]n1 ZINC000349569820 484567572 /nfs/dbraw/zinc/56/75/72/484567572.db2.gz QIRFITBHXSPWON-JTQLQIEISA-N -1 0 367.453 -0.575 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@H]1CCCCO1)[N-]c1nc[nH]n1 ZINC000349569822 484568532 /nfs/dbraw/zinc/56/85/32/484568532.db2.gz QIRFITBHXSPWON-SNVBAGLBSA-N -1 0 367.453 -0.575 20 0 FBADRM Cc1ccoc1CNS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349569852 484181995 /nfs/dbraw/zinc/18/19/95/484181995.db2.gz QRONPNDRVIFEDK-UHFFFAOYSA-N -1 0 363.421 -0.042 20 0 FBADRM Cc1cc(C)nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H](C)CO)n1 ZINC000349569862 485264579 /nfs/dbraw/zinc/26/45/79/485264579.db2.gz QTMNBCNQAZFTSN-LLVKDONJSA-N -1 0 366.465 -0.475 20 0 FBADRM Cc1cc(C)nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)CO)n1 ZINC000349569863 484181639 /nfs/dbraw/zinc/18/16/39/484181639.db2.gz QTMNBCNQAZFTSN-NSHDSACASA-N -1 0 366.465 -0.475 20 0 FBADRM COC(=O)c1ccncc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000349569875 484181059 /nfs/dbraw/zinc/18/10/59/484181059.db2.gz CEGNYZPXZDFOBZ-UHFFFAOYSA-N -1 0 365.433 -0.109 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H](C)O)s1 ZINC000349570243 484180851 /nfs/dbraw/zinc/18/08/51/484180851.db2.gz RCMKYHIUZSNTBF-MRVPVSSYSA-N -1 0 357.479 -0.116 20 0 FBADRM COc1cncnc1[N-]S(=O)(=O)CCCCS(=O)(=O)N(C)C ZINC000349570363 484181101 /nfs/dbraw/zinc/18/11/01/484181101.db2.gz XLAPHPUWGAQETB-UHFFFAOYSA-N -1 0 352.438 -0.102 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCC2)nn1C ZINC000349570423 484181275 /nfs/dbraw/zinc/18/12/75/484181275.db2.gz DHXGLYHDXVFAJI-UHFFFAOYSA-N -1 0 351.454 -0.319 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)C)nnn1C ZINC000349570447 484567974 /nfs/dbraw/zinc/56/79/74/484567974.db2.gz DKVGOEOLLDBCID-UHFFFAOYSA-N -1 0 353.470 -0.169 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NCC1(O)CCC1)[N-]c1ccon1 ZINC000349570906 484180811 /nfs/dbraw/zinc/18/08/11/484180811.db2.gz RWEGPVCGGHVXQH-UHFFFAOYSA-N -1 0 353.422 -0.359 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CCOC2)n1 ZINC000349571533 485264931 /nfs/dbraw/zinc/26/49/31/485264931.db2.gz ZBYXGXMGXWVXAI-LLVKDONJSA-N -1 0 366.465 -0.350 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@H]2CCOC2)n1 ZINC000349571534 485264919 /nfs/dbraw/zinc/26/49/19/485264919.db2.gz ZBYXGXMGXWVXAI-NSHDSACASA-N -1 0 366.465 -0.350 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H](C)CO)s1 ZINC000349571853 485264699 /nfs/dbraw/zinc/26/46/99/485264699.db2.gz SZBQPWGDSVOMTO-MRVPVSSYSA-N -1 0 357.479 -0.116 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)CO)s1 ZINC000349571854 484568053 /nfs/dbraw/zinc/56/80/53/484568053.db2.gz SZBQPWGDSVOMTO-QMMMGPOBSA-N -1 0 357.479 -0.116 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(O)CCC2)no1 ZINC000349571985 484181586 /nfs/dbraw/zinc/18/15/86/484181586.db2.gz UEQHKIAWMWMUJJ-UHFFFAOYSA-N -1 0 368.437 -0.656 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncnn1-c1ccncc1 ZINC000349572336 484181549 /nfs/dbraw/zinc/18/15/49/484181549.db2.gz HFAYMMBGAFVOTC-UHFFFAOYSA-N -1 0 374.448 -0.893 20 0 FBADRM Cc1csc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H](C)CO)n1 ZINC000349572467 485264779 /nfs/dbraw/zinc/26/47/79/485264779.db2.gz UNLFMVDBJGKVRO-MRVPVSSYSA-N -1 0 357.479 -0.116 20 0 FBADRM Cc1csc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)CO)n1 ZINC000349572468 484181367 /nfs/dbraw/zinc/18/13/67/484181367.db2.gz UNLFMVDBJGKVRO-QMMMGPOBSA-N -1 0 357.479 -0.116 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)NCC1(O)CCC1 ZINC000349572499 484181148 /nfs/dbraw/zinc/18/11/48/484181148.db2.gz UTTLYAFYPOKEAE-UHFFFAOYSA-N -1 0 367.449 -0.051 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2CCC2)n1 ZINC000349572549 484181723 /nfs/dbraw/zinc/18/17/23/484181723.db2.gz VDIVOOSPGMXQTF-UHFFFAOYSA-N -1 0 351.454 -0.334 20 0 FBADRM CCN(CC)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc(C)n(C)n1 ZINC000349572785 484180935 /nfs/dbraw/zinc/18/09/35/484180935.db2.gz IFDBTOLKNAANHV-UHFFFAOYSA-N -1 0 353.470 -0.073 20 0 FBADRM Cc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H](C)O)s1 ZINC000349572873 484181089 /nfs/dbraw/zinc/18/10/89/484181089.db2.gz VIZWIELHHABURR-SSDOTTSWSA-N -1 0 358.467 -0.721 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2CC2)nn1C ZINC000349573066 484181305 /nfs/dbraw/zinc/18/13/05/484181305.db2.gz WCVWZIGGYBRGPN-UHFFFAOYSA-N -1 0 351.454 -0.415 20 0 FBADRM Cc1cc(C)nc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H](C)O)n1 ZINC000349573079 484180924 /nfs/dbraw/zinc/18/09/24/484180924.db2.gz WDSWYOUIHZMRAF-LLVKDONJSA-N -1 0 366.465 -0.475 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)NCC2CCC2)nnn1C ZINC000349573144 484181379 /nfs/dbraw/zinc/18/13/79/484181379.db2.gz WIPCYUWAQJMHFS-UHFFFAOYSA-N -1 0 365.481 -0.025 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)C)nn1C ZINC000349573157 484181941 /nfs/dbraw/zinc/18/19/41/484181941.db2.gz JHSSLQFPZNZQOO-UHFFFAOYSA-N -1 0 353.470 -0.169 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)NC2CCCC2)nn1 ZINC000349573168 484568336 /nfs/dbraw/zinc/56/83/36/484568336.db2.gz JINHOXMJHACVRG-UHFFFAOYSA-N -1 0 351.454 -0.191 20 0 FBADRM Cc1csc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H](C)O)n1 ZINC000349573381 484181796 /nfs/dbraw/zinc/18/17/96/484181796.db2.gz WXXJPGRJZOEXLW-SECBINFHSA-N -1 0 357.479 -0.116 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)(C)O)no1 ZINC000349573432 484183414 /nfs/dbraw/zinc/18/34/14/484183414.db2.gz JTTJNDIMZDUTQH-UHFFFAOYSA-N -1 0 356.426 -0.800 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCCC1)[N-]c1nc2ccccn2n1 ZINC000349573454 484381804 /nfs/dbraw/zinc/38/18/04/484381804.db2.gz JYEOFPFPUZXNMS-UHFFFAOYSA-N -1 0 373.460 0.287 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC000349573596 484182728 /nfs/dbraw/zinc/18/27/28/484182728.db2.gz LMUQKGPQMMXDIV-IAZYJMLFSA-N -1 0 364.449 -0.884 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@H]1CCOC1)[N-]c1nncs1 ZINC000349573637 485263653 /nfs/dbraw/zinc/26/36/53/485263653.db2.gz LTBAGSWIRAJDQU-QMMMGPOBSA-N -1 0 356.451 -0.622 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NCC1(O)CCCC1)[N-]c1nc[nH]n1 ZINC000349573865 484183166 /nfs/dbraw/zinc/18/31/66/484183166.db2.gz YTPDVXJXZAKQBX-UHFFFAOYSA-N -1 0 367.453 -0.839 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)(C)C)nn1 ZINC000349573872 484182659 /nfs/dbraw/zinc/18/26/59/484182659.db2.gz YVJUXGKSLXFAGH-UHFFFAOYSA-N -1 0 353.470 -0.088 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000349573978 484569643 /nfs/dbraw/zinc/56/96/43/484569643.db2.gz LZFZHMXZBABIMH-URLYPYJESA-N -1 0 365.433 -0.321 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCOC1 ZINC000349573979 485265931 /nfs/dbraw/zinc/26/59/31/485265931.db2.gz LZNWMCVDKMBGPW-JTQLQIEISA-N -1 0 353.422 -0.177 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(O)CCC2)no1 ZINC000349574076 484183298 /nfs/dbraw/zinc/18/32/98/484183298.db2.gz ZEMZWCHWQSFAEP-UHFFFAOYSA-N -1 0 367.449 -0.051 20 0 FBADRM CN(C)c1cc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)ncn1 ZINC000349574282 484183026 /nfs/dbraw/zinc/18/30/26/484183026.db2.gz LNDJWMNGLKWCIH-UHFFFAOYSA-N -1 0 351.454 -0.434 20 0 FBADRM CC(C)(O)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000349574363 485266287 /nfs/dbraw/zinc/26/62/87/485266287.db2.gz LWTZUJSMRIWKOE-UHFFFAOYSA-N -1 0 352.438 -0.701 20 0 FBADRM COc1cc(OC)nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)n1 ZINC000349574388 484183529 /nfs/dbraw/zinc/18/35/29/484183529.db2.gz MAWIWXRHRPBWLS-UHFFFAOYSA-N -1 0 368.437 -0.483 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NC2CCCC2)n1 ZINC000349574438 484183672 /nfs/dbraw/zinc/18/36/72/484183672.db2.gz MQRIPLGLDWKNQR-UHFFFAOYSA-N -1 0 351.454 -0.191 20 0 FBADRM C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)CO1 ZINC000349574604 484569120 /nfs/dbraw/zinc/56/91/20/484569120.db2.gz MYKPFWNBXRYKHN-BDAKNGLRSA-N -1 0 353.426 -0.967 20 0 FBADRM C[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)CO1 ZINC000349574605 484569700 /nfs/dbraw/zinc/56/97/00/484569700.db2.gz MYKPFWNBXRYKHN-DTWKUNHWSA-N -1 0 353.426 -0.967 20 0 FBADRM C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)CO1 ZINC000349574610 484569619 /nfs/dbraw/zinc/56/96/19/484569619.db2.gz MYKPFWNBXRYKHN-IUCAKERBSA-N -1 0 353.426 -0.967 20 0 FBADRM C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)CO1 ZINC000349574616 484569254 /nfs/dbraw/zinc/56/92/54/484569254.db2.gz MYKPFWNBXRYKHN-RKDXNWHRSA-N -1 0 353.426 -0.967 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCC[C@H]2F)n1 ZINC000349574747 484182678 /nfs/dbraw/zinc/18/26/78/484182678.db2.gz NIXJSYVDPXOFQS-ZJUUUORDSA-N -1 0 369.444 -0.243 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCC2)n[nH]1 ZINC000349574778 484569876 /nfs/dbraw/zinc/56/98/76/484569876.db2.gz MWODMTRTWDHMJH-UHFFFAOYSA-N -1 0 351.454 -0.076 20 0 FBADRM COC(=O)c1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)n1 ZINC000349575046 484569498 /nfs/dbraw/zinc/56/94/98/484569498.db2.gz NOQHTPKGEHFUCX-UHFFFAOYSA-N -1 0 365.433 -0.109 20 0 FBADRM CC[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc(C)n(C)n1 ZINC000349575108 484569537 /nfs/dbraw/zinc/56/95/37/484569537.db2.gz NTIUKZMIPBYAJH-SECBINFHSA-N -1 0 353.470 -0.027 20 0 FBADRM CC[C@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc(C)n(C)n1 ZINC000349575110 484569481 /nfs/dbraw/zinc/56/94/81/484569481.db2.gz NTIUKZMIPBYAJH-VIFPVBQESA-N -1 0 353.470 -0.027 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CC23CC3)nn1 ZINC000349575124 484182520 /nfs/dbraw/zinc/18/25/20/484182520.db2.gz NVEIYTFWANXISA-JTQLQIEISA-N -1 0 363.465 -0.334 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2CC23CC3)nn1 ZINC000349575125 484182642 /nfs/dbraw/zinc/18/26/42/484182642.db2.gz NVEIYTFWANXISA-SNVBAGLBSA-N -1 0 363.465 -0.334 20 0 FBADRM Cc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)(C)O)s1 ZINC000349575146 484569013 /nfs/dbraw/zinc/56/90/13/484569013.db2.gz NYVHQOPEDIPRHQ-UHFFFAOYSA-N -1 0 372.494 -0.331 20 0 FBADRM CC(C)Oc1cncc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)n1 ZINC000349575460 485264468 /nfs/dbraw/zinc/26/44/68/485264468.db2.gz OLMQSVORRHYCIW-UHFFFAOYSA-N -1 0 366.465 -0.291 20 0 FBADRM COc1cncc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCC2)n1 ZINC000349575510 484459257 /nfs/dbraw/zinc/45/92/57/484459257.db2.gz OWLLEMJYBZPMMN-UHFFFAOYSA-N -1 0 364.449 0.043 20 0 FBADRM COC(=O)c1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)nn1 ZINC000349575516 484569661 /nfs/dbraw/zinc/56/96/61/484569661.db2.gz OXOWJMJKLZWOEA-UHFFFAOYSA-N -1 0 366.421 -0.714 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)(C)O)nc1 ZINC000349575539 660104548 /nfs/dbraw/zinc/10/45/48/660104548.db2.gz PDVMRFATAHUCGX-UHFFFAOYSA-N -1 0 366.465 -0.393 20 0 FBADRM CNC(=O)c1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)nc1 ZINC000349575842 484183179 /nfs/dbraw/zinc/18/31/79/484183179.db2.gz PJGJCMSPSLOIIW-UHFFFAOYSA-N -1 0 364.449 -0.536 20 0 FBADRM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)(C)O)n1 ZINC000349575895 484182854 /nfs/dbraw/zinc/18/28/54/484182854.db2.gz PTRIOZFHPQSOMN-UHFFFAOYSA-N -1 0 366.465 -0.393 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)(C)O ZINC000349575952 484183045 /nfs/dbraw/zinc/18/30/45/484183045.db2.gz QIHQWJDDRXKZMV-UHFFFAOYSA-N -1 0 355.438 -0.195 20 0 FBADRM COc1cc(C)nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)n1 ZINC000349576610 484183488 /nfs/dbraw/zinc/18/34/88/484183488.db2.gz RPBIAEHZIFWETP-UHFFFAOYSA-N -1 0 352.438 -0.183 20 0 FBADRM CC(C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C(N)=O)s1 ZINC000349576643 484569812 /nfs/dbraw/zinc/56/98/12/484569812.db2.gz RVPCRUBYJRAIDC-UHFFFAOYSA-N -1 0 370.478 -0.298 20 0 FBADRM COC(=O)c1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)c1 ZINC000349576685 484182695 /nfs/dbraw/zinc/18/26/95/484182695.db2.gz SBJPAHHNPJJVLX-UHFFFAOYSA-N -1 0 365.433 -0.109 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@H]1[C@@H]2COC[C@@H]21)[N-]c1nncs1 ZINC000349577364 484183630 /nfs/dbraw/zinc/18/36/30/484183630.db2.gz QRARBNXZVLJLIQ-BRPSZJMVSA-N -1 0 368.462 -0.766 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)n1 ZINC000349577527 485266276 /nfs/dbraw/zinc/26/62/76/485266276.db2.gz RDZHOWCGZZNJGR-JTQLQIEISA-N -1 0 352.438 -0.740 20 0 FBADRM C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)CO1 ZINC000349577545 484183232 /nfs/dbraw/zinc/18/32/32/484183232.db2.gz RGGAABBVVPVZNW-GHMZBOCLSA-N -1 0 364.449 -0.295 20 0 FBADRM C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)CO1 ZINC000349577546 484183284 /nfs/dbraw/zinc/18/32/84/484183284.db2.gz RGGAABBVVPVZNW-MNOVXSKESA-N -1 0 364.449 -0.295 20 0 FBADRM C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)CO1 ZINC000349577547 484183581 /nfs/dbraw/zinc/18/35/81/484183581.db2.gz RGGAABBVVPVZNW-QWRGUYRKSA-N -1 0 364.449 -0.295 20 0 FBADRM C[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)CO1 ZINC000349577548 484183218 /nfs/dbraw/zinc/18/32/18/484183218.db2.gz RGGAABBVVPVZNW-WDEREUQCSA-N -1 0 364.449 -0.295 20 0 FBADRM CC(C)(O)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1nncs1 ZINC000349577568 484182486 /nfs/dbraw/zinc/18/24/86/484182486.db2.gz UKNXMUHOGJNUDX-UHFFFAOYSA-N -1 0 358.467 -0.640 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@H]1[C@@H]2COC[C@@H]21)[N-]c1ncccn1 ZINC000349577763 484182711 /nfs/dbraw/zinc/18/27/11/484182711.db2.gz RGJZAQIUMQYRNF-URLYPYJESA-N -1 0 362.433 -0.827 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc2n(n1)CCCC2 ZINC000349577838 484183323 /nfs/dbraw/zinc/18/33/23/484183323.db2.gz VRBLWYQQPFFNRN-UHFFFAOYSA-N -1 0 351.454 -0.362 20 0 FBADRM C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccn(C)n2)CO1 ZINC000349577885 484183456 /nfs/dbraw/zinc/18/34/56/484183456.db2.gz ROEFZKQYKJXNAX-GHMZBOCLSA-N -1 0 366.465 -0.351 20 0 FBADRM C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccn(C)n2)CO1 ZINC000349577886 484182510 /nfs/dbraw/zinc/18/25/10/484182510.db2.gz ROEFZKQYKJXNAX-MNOVXSKESA-N -1 0 366.465 -0.351 20 0 FBADRM C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccn(C)n2)CO1 ZINC000349577895 484182775 /nfs/dbraw/zinc/18/27/75/484182775.db2.gz ROEFZKQYKJXNAX-QWRGUYRKSA-N -1 0 366.465 -0.351 20 0 FBADRM C[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccn(C)n2)CO1 ZINC000349577897 484182930 /nfs/dbraw/zinc/18/29/30/484182930.db2.gz ROEFZKQYKJXNAX-WDEREUQCSA-N -1 0 366.465 -0.351 20 0 FBADRM COC(=O)c1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)nc1 ZINC000349578997 484183593 /nfs/dbraw/zinc/18/35/93/484183593.db2.gz XJAMEXPGZSBZTE-UHFFFAOYSA-N -1 0 365.433 -0.109 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C(N)=O)s1 ZINC000349579019 484183565 /nfs/dbraw/zinc/18/35/65/484183565.db2.gz XNLCFWAZQVZBBY-UHFFFAOYSA-N -1 0 356.451 -0.735 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nncn1-c1cccnc1 ZINC000349580259 484182811 /nfs/dbraw/zinc/18/28/11/484182811.db2.gz ZGCJMKIJIOWRIX-UHFFFAOYSA-N -1 0 374.448 -0.315 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CC23CC3)n1 ZINC000349580335 484183246 /nfs/dbraw/zinc/18/32/46/484183246.db2.gz ZIOOVPQOEFGGJA-JTQLQIEISA-N -1 0 363.465 -0.334 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2CC23CC3)n1 ZINC000349580337 484182875 /nfs/dbraw/zinc/18/28/75/484182875.db2.gz ZIOOVPQOEFGGJA-SNVBAGLBSA-N -1 0 363.465 -0.334 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)(C)O)no1 ZINC000349580368 484569892 /nfs/dbraw/zinc/56/98/92/484569892.db2.gz ZNINTSSDNLLJGE-UHFFFAOYSA-N -1 0 355.438 -0.195 20 0 FBADRM CSc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NC(C)C)n[nH]1 ZINC000349580369 484183509 /nfs/dbraw/zinc/18/35/09/484183509.db2.gz ZNUBBGLKBZBNJX-UHFFFAOYSA-N -1 0 357.483 -0.014 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@H]1[C@@H]2COC[C@@H]21)[N-]c1nccs1 ZINC000349580509 484568923 /nfs/dbraw/zinc/56/89/23/484568923.db2.gz UVOAVGHXYZKIKB-MYJAWHEDSA-N -1 0 367.474 -0.161 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCC2)nnn1C ZINC000349580630 484183374 /nfs/dbraw/zinc/18/33/74/484183374.db2.gz ZZSXVCOUAXPEEN-UHFFFAOYSA-N -1 0 351.454 -0.319 20 0 FBADRM CN1CCN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccon2)CC1 ZINC000349580731 484183094 /nfs/dbraw/zinc/18/30/94/484183094.db2.gz FHBMMPHNTMBVIU-UHFFFAOYSA-N -1 0 366.465 -0.226 20 0 FBADRM Cc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)s1 ZINC000349582031 485266482 /nfs/dbraw/zinc/26/64/82/485266482.db2.gz WMWWYHGXZKGMGD-VIFPVBQESA-N -1 0 370.478 -0.313 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)no1 ZINC000349582284 485266272 /nfs/dbraw/zinc/26/62/72/485266272.db2.gz WQGXVJWOCMPLED-VIFPVBQESA-N -1 0 354.410 -0.782 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC[C@H](F)C2)n1 ZINC000349584740 485266518 /nfs/dbraw/zinc/26/65/18/485266518.db2.gz BUHFERLBTFHROR-JTQLQIEISA-N -1 0 369.444 -0.289 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC[C@@H](F)C2)n1 ZINC000349584741 485266252 /nfs/dbraw/zinc/26/62/52/485266252.db2.gz BUHFERLBTFHROR-SNVBAGLBSA-N -1 0 369.444 -0.289 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N[C@@H]1CCC[C@H]1O)Nc1cn[nH]c1 ZINC000349586121 484184393 /nfs/dbraw/zinc/18/43/93/484184393.db2.gz MFPVDGHZPQLOEX-VXGBXAGGSA-N -1 0 366.465 -0.236 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CC[C@H]2O)no1 ZINC000349586165 485266934 /nfs/dbraw/zinc/26/69/34/485266934.db2.gz MHGWEMJBDLNZIA-GHMZBOCLSA-N -1 0 367.449 -0.052 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N[C@H]1[C@@H]2COC[C@@H]21)[N-]c1ccon1 ZINC000349586237 485267518 /nfs/dbraw/zinc/26/75/18/485267518.db2.gz MRDKROZUVTXQEX-IAZYJMLFSA-N -1 0 365.433 -0.239 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCCOC2)no1 ZINC000349588694 484184619 /nfs/dbraw/zinc/18/46/19/484184619.db2.gz AYTRBMIBPJVTCF-UHFFFAOYSA-N -1 0 368.437 -0.090 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCCOC1)Nc1ccnnc1 ZINC000349588821 484184639 /nfs/dbraw/zinc/18/46/39/484184639.db2.gz GFXWBYLCBBQDMN-GFCCVEGCSA-N -1 0 364.449 -0.293 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@H]1CCCOC1)Nc1ccnnc1 ZINC000349588822 484184558 /nfs/dbraw/zinc/18/45/58/484184558.db2.gz GFXWBYLCBBQDMN-LBPRGKRZSA-N -1 0 364.449 -0.293 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N1CCC[C@@H]1CO)Nc1cn[nH]c1 ZINC000349591531 484185178 /nfs/dbraw/zinc/18/51/78/484185178.db2.gz OAKYJJPUBGHZME-GFCCVEGCSA-N -1 0 366.465 -0.282 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N1CCC[C@H]1CO)Nc1cn[nH]c1 ZINC000349591532 484185354 /nfs/dbraw/zinc/18/53/54/484185354.db2.gz OAKYJJPUBGHZME-LBPRGKRZSA-N -1 0 366.465 -0.282 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N1CCSCC1)[N-]c1nc[nH]n1 ZINC000349591605 484569794 /nfs/dbraw/zinc/56/97/94/484569794.db2.gz OVFPYIQOBDWWGX-UHFFFAOYSA-N -1 0 369.494 -0.295 20 0 FBADRM C[C@@]1(O)C[C@H](NS(=O)(=O)CCCCS(=O)(=O)Nc2cn[nH]c2)C1 ZINC000349591843 484185007 /nfs/dbraw/zinc/18/50/07/484185007.db2.gz RLTPCHPORXCRTE-KLPPZKSPSA-N -1 0 366.465 -0.236 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N1CC[C@@H](O)C1)Nc1cn[nH]c1 ZINC000349592052 484184765 /nfs/dbraw/zinc/18/47/65/484184765.db2.gz PAFXIHMJLFDAEI-LLVKDONJSA-N -1 0 352.438 -0.672 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N1CC[C@H](O)C1)Nc1cn[nH]c1 ZINC000349592053 484184316 /nfs/dbraw/zinc/18/43/16/484184316.db2.gz PAFXIHMJLFDAEI-NSHDSACASA-N -1 0 352.438 -0.672 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N[C@@H]1CC[C@H]1O)[N-]c1ncccn1 ZINC000349592361 846217227 /nfs/dbraw/zinc/21/72/27/846217227.db2.gz SOWNRMZYHAMLDR-GHMZBOCLSA-N -1 0 364.449 -0.559 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@H]1CC[C@@H](CO)C1)Nc1cn[nH]c1 ZINC000349592427 484185080 /nfs/dbraw/zinc/18/50/80/484185080.db2.gz NIGVGARTNFEKNG-MNOVXSKESA-N -1 0 366.465 -0.378 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N1CC[C@H](O)C1)Nc1ccccn1 ZINC000349592592 484185543 /nfs/dbraw/zinc/18/55/43/484185543.db2.gz QKXWZJZMMHRALY-LBPRGKRZSA-N -1 0 363.461 0.000 20 0 FBADRM Cc1cnc(CNS(=O)(=O)CCCS(=O)(=O)Nc2cn[nH]c2)o1 ZINC000349593786 484185405 /nfs/dbraw/zinc/18/54/05/484185405.db2.gz QHFUVKCALOOBHL-UHFFFAOYSA-N -1 0 363.421 -0.042 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@H]1CCCC[C@@H]1O)Nc1cn[nH]c1 ZINC000349594107 484184968 /nfs/dbraw/zinc/18/49/68/484184968.db2.gz RPZAKFOWQIXVIS-RYUDHWBXSA-N -1 0 366.465 -0.236 20 0 FBADRM Cc1n[nH]cc1NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCOC1 ZINC000349594878 484185035 /nfs/dbraw/zinc/18/50/35/484185035.db2.gz SYXJWEKDBAXIQJ-LLVKDONJSA-N -1 0 366.465 -0.052 20 0 FBADRM Cc1n[nH]cc1NS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCOC1 ZINC000349594879 484184668 /nfs/dbraw/zinc/18/46/68/484184668.db2.gz SYXJWEKDBAXIQJ-NSHDSACASA-N -1 0 366.465 -0.052 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@H]1CC[C@@H](CO)C1)[N-]c1ccon1 ZINC000349594892 484569428 /nfs/dbraw/zinc/56/94/28/484569428.db2.gz TUBXKXSGDJWDFM-MNOVXSKESA-N -1 0 367.449 -0.113 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NC2CC=CC2)nn1C ZINC000349594999 485270214 /nfs/dbraw/zinc/27/02/14/485270214.db2.gz UIBWNLVZOZLCHM-UHFFFAOYSA-N -1 0 363.465 -0.107 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000349595513 485270917 /nfs/dbraw/zinc/27/09/17/485270917.db2.gz XTPLKLAOSQHPCA-JTQLQIEISA-N -1 0 351.454 -0.002 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000349595514 485271437 /nfs/dbraw/zinc/27/14/37/485271437.db2.gz XTPLKLAOSQHPCA-SNVBAGLBSA-N -1 0 351.454 -0.002 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N1CCCOCC1)Nc1cn[nH]c1 ZINC000349595871 484184686 /nfs/dbraw/zinc/18/46/86/484184686.db2.gz YNEXABLOHRJOHN-UHFFFAOYSA-N -1 0 366.465 -0.016 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@H]1CCCOC1)Nc1cn[nH]c1 ZINC000349596487 484185507 /nfs/dbraw/zinc/18/55/07/484185507.db2.gz YKQNPUXAINEXET-JTQLQIEISA-N -1 0 352.438 -0.360 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCCOC1)Nc1cn[nH]c1 ZINC000349596488 484185146 /nfs/dbraw/zinc/18/51/46/484185146.db2.gz YKQNPUXAINEXET-SNVBAGLBSA-N -1 0 352.438 -0.360 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCCOC2)no1 ZINC000349596494 484184807 /nfs/dbraw/zinc/18/48/07/484184807.db2.gz YLDJKHPZTQRWRU-JTQLQIEISA-N -1 0 368.437 -0.392 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCCOC2)no1 ZINC000349596495 484573648 /nfs/dbraw/zinc/57/36/48/484573648.db2.gz YLDJKHPZTQRWRU-SNVBAGLBSA-N -1 0 368.437 -0.392 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H](C)O)nc1 ZINC000349596745 660104754 /nfs/dbraw/zinc/10/47/54/660104754.db2.gz AJAPVJKKGKTBEK-JTQLQIEISA-N -1 0 352.438 -0.783 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NCCO)sc1C ZINC000349596875 484186489 /nfs/dbraw/zinc/18/64/89/484186489.db2.gz AVSWTQLKFZRXOZ-UHFFFAOYSA-N -1 0 357.479 -0.197 20 0 FBADRM Cc1n[nH]cc1NS(=O)(=O)CCCCS(=O)(=O)N1CCOC1 ZINC000349596976 484184584 /nfs/dbraw/zinc/18/45/84/484184584.db2.gz CBQVVVYAUOIWRN-UHFFFAOYSA-N -1 0 352.438 -0.140 20 0 FBADRM Cc1noc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H](C)O)c1C ZINC000349597108 484186019 /nfs/dbraw/zinc/18/60/19/484186019.db2.gz BJVPLTDSXHXLMY-QMMMGPOBSA-N -1 0 355.438 -0.277 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCOC2)n1 ZINC000349597338 484186320 /nfs/dbraw/zinc/18/63/20/484186320.db2.gz DOQBFKGHMFLHPP-UHFFFAOYSA-N -1 0 352.438 -0.439 20 0 FBADRM COC1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ncccn2)C1 ZINC000349597649 484187015 /nfs/dbraw/zinc/18/70/15/484187015.db2.gz DXFXQLGZAJDWCD-UHFFFAOYSA-N -1 0 364.449 -0.341 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)NC2CCC2)nnn1C ZINC000349598324 484186810 /nfs/dbraw/zinc/18/68/10/484186810.db2.gz DPIGDQJQZOMXJL-UHFFFAOYSA-N -1 0 351.454 -0.273 20 0 FBADRM Cc1n[nH]cc1NS(=O)(=O)CCCS(=O)(=O)NC[C@H]1CCCO1 ZINC000349598352 484573636 /nfs/dbraw/zinc/57/36/36/484573636.db2.gz DZBDPYRCCJZQPD-LLVKDONJSA-N -1 0 366.465 -0.052 20 0 FBADRM Cc1n[nH]cc1NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CCCO1 ZINC000349598353 484572883 /nfs/dbraw/zinc/57/28/83/484572883.db2.gz DZBDPYRCCJZQPD-NSHDSACASA-N -1 0 366.465 -0.052 20 0 FBADRM C[C@H](O)CNS(=O)(=O)CCCS(=O)(=O)Nc1cncc(F)c1 ZINC000349598627 484573707 /nfs/dbraw/zinc/57/37/07/484573707.db2.gz FKRKBFQUDLXDKD-VIFPVBQESA-N -1 0 355.413 -0.347 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCOC2)n1 ZINC000349598705 485271536 /nfs/dbraw/zinc/27/15/36/485271536.db2.gz FXADRVUIFGOGDY-LLVKDONJSA-N -1 0 366.465 -0.492 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCOC2)n1 ZINC000349598708 485270827 /nfs/dbraw/zinc/27/08/27/485270827.db2.gz FXADRVUIFGOGDY-NSHDSACASA-N -1 0 366.465 -0.492 20 0 FBADRM Cn1cccc1CNS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349598718 484187027 /nfs/dbraw/zinc/18/70/27/484187027.db2.gz FXKNBOHEYMIDQD-UHFFFAOYSA-N -1 0 362.437 -0.605 20 0 FBADRM Cc1nnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCOC2)s1 ZINC000349598929 484185847 /nfs/dbraw/zinc/18/58/47/484185847.db2.gz IKFACPZRNCCQAM-UHFFFAOYSA-N -1 0 370.478 -0.012 20 0 FBADRM C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCCS(=O)(=O)Nc1cn[nH]c1 ZINC000349599488 484573173 /nfs/dbraw/zinc/57/31/73/484573173.db2.gz BBTVAGJUSSVJBR-CMPLNLGQSA-N -1 0 366.465 -0.284 20 0 FBADRM C[C@H]1C[C@H](O)CN1S(=O)(=O)CCCCS(=O)(=O)Nc1cn[nH]c1 ZINC000349599489 484573229 /nfs/dbraw/zinc/57/32/29/484573229.db2.gz BBTVAGJUSSVJBR-JQWIXIFHSA-N -1 0 366.465 -0.284 20 0 FBADRM C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCCS(=O)(=O)Nc1cn[nH]c1 ZINC000349599490 484572838 /nfs/dbraw/zinc/57/28/38/484572838.db2.gz BBTVAGJUSSVJBR-PWSUYJOCSA-N -1 0 366.465 -0.284 20 0 FBADRM C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCCS(=O)(=O)Nc1cn[nH]c1 ZINC000349599491 484573459 /nfs/dbraw/zinc/57/34/59/484573459.db2.gz BBTVAGJUSSVJBR-ZYHUDNBSSA-N -1 0 366.465 -0.284 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCCO2)no1 ZINC000349599633 484186217 /nfs/dbraw/zinc/18/62/17/484186217.db2.gz GTBXKBYUSITYCR-JTQLQIEISA-N -1 0 368.437 -0.392 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCCO2)no1 ZINC000349599634 484186334 /nfs/dbraw/zinc/18/63/34/484186334.db2.gz GTBXKBYUSITYCR-SNVBAGLBSA-N -1 0 368.437 -0.392 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC1CCOCC1)[N-]c1nncs1 ZINC000349599639 846216985 /nfs/dbraw/zinc/21/69/85/846216985.db2.gz GUDRHWOJDGDDGX-UHFFFAOYSA-N -1 0 370.478 -0.232 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NCc2ccoc2)n1 ZINC000349599907 484187048 /nfs/dbraw/zinc/18/70/48/484187048.db2.gz HLRQWSUSTBFEIV-UHFFFAOYSA-N -1 0 363.421 -0.341 20 0 FBADRM CCc1nnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCOC2)o1 ZINC000349599954 484186955 /nfs/dbraw/zinc/18/69/55/484186955.db2.gz KPKGNWMHYUIDCX-UHFFFAOYSA-N -1 0 368.437 -0.227 20 0 FBADRM CC(C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc2ccccn2n1 ZINC000349600345 484205223 /nfs/dbraw/zinc/20/52/23/484205223.db2.gz IFIMQEFFCIDJNF-UHFFFAOYSA-N -1 0 361.449 0.189 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCOC2)no1 ZINC000349600587 484186904 /nfs/dbraw/zinc/18/69/04/484186904.db2.gz MLVKMDIZOZLTSR-UHFFFAOYSA-N -1 0 368.437 -0.227 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@H]1CCCO1)[N-]c1nncs1 ZINC000349600742 484186180 /nfs/dbraw/zinc/18/61/80/484186180.db2.gz IQDYCQYCXBWCPH-SECBINFHSA-N -1 0 370.478 -0.232 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@@H]1CCCO1)[N-]c1nncs1 ZINC000349600743 484187073 /nfs/dbraw/zinc/18/70/73/484187073.db2.gz IQDYCQYCXBWCPH-VIFPVBQESA-N -1 0 370.478 -0.232 20 0 FBADRM Cc1cc(CNS(=O)(=O)CCCS(=O)(=O)Nc2cn[nH]c2)no1 ZINC000349600761 484572968 /nfs/dbraw/zinc/57/29/68/484572968.db2.gz ITRPBGBMBQBQGX-UHFFFAOYSA-N -1 0 363.421 -0.042 20 0 FBADRM Cn1nccc1CNS(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349600858 484186599 /nfs/dbraw/zinc/18/65/99/484186599.db2.gz JFNDVVPNCAPRFP-UHFFFAOYSA-N -1 0 363.421 -0.341 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCCOC2)n1 ZINC000349600879 846217526 /nfs/dbraw/zinc/21/75/26/846217526.db2.gz NHLLNOGWRZWKKN-UHFFFAOYSA-N -1 0 367.453 -0.653 20 0 FBADRM COC1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccn(C)n2)C1 ZINC000349601307 484186797 /nfs/dbraw/zinc/18/67/97/484186797.db2.gz ODPRXIAFYFYRLH-UHFFFAOYSA-N -1 0 366.465 -0.398 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC1CCC1)[N-]c1nc2ccccn2n1 ZINC000349601850 484381781 /nfs/dbraw/zinc/38/17/81/484381781.db2.gz KROVPJZYZHOAPZ-UHFFFAOYSA-N -1 0 373.460 0.333 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCOC2)no1 ZINC000349602101 485272726 /nfs/dbraw/zinc/27/27/26/485272726.db2.gz LBUJDXOQCUDVMK-JTQLQIEISA-N -1 0 368.437 -0.534 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCOC2)no1 ZINC000349602109 485272660 /nfs/dbraw/zinc/27/26/60/485272660.db2.gz LBUJDXOQCUDVMK-SNVBAGLBSA-N -1 0 368.437 -0.534 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCCS(=O)(=O)N1CC(CO)C1 ZINC000349602137 846217439 /nfs/dbraw/zinc/21/74/39/846217439.db2.gz PNPYMXKYAJJYMC-UHFFFAOYSA-N -1 0 367.449 -0.241 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCOC2)no1 ZINC000349602165 484186806 /nfs/dbraw/zinc/18/68/06/484186806.db2.gz PSKADGPWBPDFOD-UHFFFAOYSA-N -1 0 354.410 -0.481 20 0 FBADRM CC(C)Oc1cncc([N-]S(=O)(=O)CCCCS(N)(=O)=O)n1 ZINC000349602418 485273525 /nfs/dbraw/zinc/27/35/25/485273525.db2.gz AJIMPUXOXPJUFN-UHFFFAOYSA-N -1 0 352.438 -0.504 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NC2CCC2)n[nH]1 ZINC000349602663 484186501 /nfs/dbraw/zinc/18/65/01/484186501.db2.gz MDVCKBLBKWEGQC-UHFFFAOYSA-N -1 0 351.454 -0.029 20 0 FBADRM COc1cncnc1[N-]S(=O)(=O)CCCS(=O)(=O)NC(C)C ZINC000349603333 484186354 /nfs/dbraw/zinc/18/63/54/484186354.db2.gz NEKYKSKDUJYMFW-UHFFFAOYSA-N -1 0 352.438 -0.055 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@H]1CCCO1)[N-]c1ncccn1 ZINC000349603347 485272211 /nfs/dbraw/zinc/27/22/11/485272211.db2.gz NGVVXMFYSRWTDJ-LLVKDONJSA-N -1 0 364.449 -0.293 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@@H]1CCCO1)[N-]c1ncccn1 ZINC000349603348 485272665 /nfs/dbraw/zinc/27/26/65/485272665.db2.gz NGVVXMFYSRWTDJ-NSHDSACASA-N -1 0 364.449 -0.293 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@H]1CCCO1)[N-]c1nc[nH]n1 ZINC000349603796 484186368 /nfs/dbraw/zinc/18/63/68/484186368.db2.gz NVQUXSPLDGKTGF-SECBINFHSA-N -1 0 353.426 -0.965 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@@H]1CCCO1)[N-]c1nc[nH]n1 ZINC000349603798 484186193 /nfs/dbraw/zinc/18/61/93/484186193.db2.gz NVQUXSPLDGKTGF-VIFPVBQESA-N -1 0 353.426 -0.965 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccon2)C[C@H]1O ZINC000349603810 485271910 /nfs/dbraw/zinc/27/19/10/485271910.db2.gz SIZZRASQBVFFEE-GHMZBOCLSA-N -1 0 367.449 -0.161 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccon2)C[C@@H]1O ZINC000349603813 485272313 /nfs/dbraw/zinc/27/23/13/485272313.db2.gz SIZZRASQBVFFEE-MNOVXSKESA-N -1 0 367.449 -0.161 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccon2)C[C@@H]1O ZINC000349603816 485272124 /nfs/dbraw/zinc/27/21/24/485272124.db2.gz SIZZRASQBVFFEE-QWRGUYRKSA-N -1 0 367.449 -0.161 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccon2)C[C@H]1O ZINC000349603819 485272371 /nfs/dbraw/zinc/27/23/71/485272371.db2.gz SIZZRASQBVFFEE-WDEREUQCSA-N -1 0 367.449 -0.161 20 0 FBADRM COc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)NC(C)C)nn1 ZINC000349603830 485272493 /nfs/dbraw/zinc/27/24/93/485272493.db2.gz NZCFCNFYGNRIGZ-UHFFFAOYSA-N -1 0 352.438 -0.055 20 0 FBADRM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H](C)O)n1 ZINC000349604613 484186690 /nfs/dbraw/zinc/18/66/90/484186690.db2.gz PDHHUWKJMFIEPW-JTQLQIEISA-N -1 0 352.438 -0.783 20 0 FBADRM NS(=O)(=O)CCCCS(=O)(=O)[N-]c1cncc(N2CCCC2)n1 ZINC000349605244 484207495 /nfs/dbraw/zinc/20/74/95/484207495.db2.gz GTGAWGKNEXUVEQ-UHFFFAOYSA-N -1 0 363.465 -0.113 20 0 FBADRM COC1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2noc(C)n2)C1 ZINC000349605257 484187703 /nfs/dbraw/zinc/18/77/03/484187703.db2.gz URIAKRKBPWYHOT-UHFFFAOYSA-N -1 0 368.437 -0.440 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCCOC2)n1 ZINC000349605288 484187912 /nfs/dbraw/zinc/18/79/12/484187912.db2.gz UUKHODRODZPOBK-UHFFFAOYSA-N -1 0 366.465 -0.048 20 0 FBADRM CO[C@H]1CCN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000349605324 846217201 /nfs/dbraw/zinc/21/72/01/846217201.db2.gz VARVRWYMMCRCCE-JTQLQIEISA-N -1 0 367.453 -0.623 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCCC[C@H]1O)[N-]c1nc[nH]n1 ZINC000349605454 484188000 /nfs/dbraw/zinc/18/80/00/484188000.db2.gz RBJAPJFHNRXZLS-NXEZZACHSA-N -1 0 367.453 -0.841 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H](C)O)s1 ZINC000349605460 484188017 /nfs/dbraw/zinc/18/80/17/484188017.db2.gz RCMKYHIUZSNTBF-QMMMGPOBSA-N -1 0 357.479 -0.116 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N1CCCOC1)Nc1cn[nH]c1 ZINC000349605714 484573622 /nfs/dbraw/zinc/57/36/22/484573622.db2.gz VQUUMDUZYSRQLO-UHFFFAOYSA-N -1 0 352.438 -0.059 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCOC2)nn1C ZINC000349605719 484188267 /nfs/dbraw/zinc/18/82/67/484188267.db2.gz VRSLLEKKQJISJU-UHFFFAOYSA-N -1 0 367.453 -0.735 20 0 FBADRM COc1cncc([N-]S(=O)(=O)CCCS(=O)(=O)NC(C)C)n1 ZINC000349606393 484458923 /nfs/dbraw/zinc/45/89/23/484458923.db2.gz SHRLIDOWXIMQPK-UHFFFAOYSA-N -1 0 352.438 -0.055 20 0 FBADRM CN1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccon2)CC1=O ZINC000349606549 485274475 /nfs/dbraw/zinc/27/44/75/485274475.db2.gz JQBIHGPCNDCGOV-UHFFFAOYSA-N -1 0 366.421 -0.742 20 0 FBADRM COC1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccon2)C1 ZINC000349606668 484188544 /nfs/dbraw/zinc/18/85/44/484188544.db2.gz XUUVBPLWSVTLMC-UHFFFAOYSA-N -1 0 353.422 -0.143 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2nc[nH]n2)[C@@H]1C ZINC000349606921 484188572 /nfs/dbraw/zinc/18/85/72/484188572.db2.gz KPAIPIPRWPLNJB-NXEZZACHSA-N -1 0 351.454 -0.003 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2nc[nH]n2)[C@H]1C ZINC000349606923 484188465 /nfs/dbraw/zinc/18/84/65/484188465.db2.gz KPAIPIPRWPLNJB-UWVGGRQHSA-N -1 0 351.454 -0.003 20 0 FBADRM C[C@@H]1[C@@H](C)CN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349606924 484188174 /nfs/dbraw/zinc/18/81/74/484188174.db2.gz KPAIPIPRWPLNJB-VHSXEESVSA-N -1 0 351.454 -0.003 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2nc[nH]n2)[C@H]1C ZINC000349606925 484187890 /nfs/dbraw/zinc/18/78/90/484187890.db2.gz KPAIPIPRWPLNJB-ZJUUUORDSA-N -1 0 351.454 -0.003 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC1CCC1)[N-]c1nc2ncccn2n1 ZINC000349606928 484381393 /nfs/dbraw/zinc/38/13/93/484381393.db2.gz UABVSBZYWCARNL-UHFFFAOYSA-N -1 0 374.448 -0.272 20 0 FBADRM COC(=O)c1nscc1[N-]S(=O)(=O)CCCCS(N)(=O)=O ZINC000349606993 484188387 /nfs/dbraw/zinc/18/83/87/484188387.db2.gz KZCBIUGYUDVORN-UHFFFAOYSA-N -1 0 357.435 -0.260 20 0 FBADRM CC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2nncs2)C1 ZINC000349607642 484188519 /nfs/dbraw/zinc/18/85/19/484188519.db2.gz GAVGFAAGYUPDQF-UHFFFAOYSA-N -1 0 370.478 -0.544 20 0 FBADRM Cc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H](C)O)s1 ZINC000349607818 484188203 /nfs/dbraw/zinc/18/82/03/484188203.db2.gz VIZWIELHHABURR-ZETCQYMHSA-N -1 0 358.467 -0.721 20 0 FBADRM Cc1cc(C)nc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H](C)O)n1 ZINC000349608028 484188191 /nfs/dbraw/zinc/18/81/91/484188191.db2.gz WDSWYOUIHZMRAF-NSHDSACASA-N -1 0 366.465 -0.475 20 0 FBADRM Cc1csc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H](C)O)n1 ZINC000349608228 484188409 /nfs/dbraw/zinc/18/84/09/484188409.db2.gz WXXJPGRJZOEXLW-VIFPVBQESA-N -1 0 357.479 -0.116 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NC2CCC2)nn1C ZINC000349608361 484574073 /nfs/dbraw/zinc/57/40/73/484574073.db2.gz XLQCXEPMOWILLQ-UHFFFAOYSA-N -1 0 351.454 -0.273 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@@H]1CCOC1)[N-]c1ccon1 ZINC000349608631 485274326 /nfs/dbraw/zinc/27/43/26/485274326.db2.gz YIOHRULTHGXYAW-JTQLQIEISA-N -1 0 353.422 -0.238 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@H]1CCOC1)[N-]c1ccon1 ZINC000349608632 485273902 /nfs/dbraw/zinc/27/39/02/485273902.db2.gz YIOHRULTHGXYAW-SNVBAGLBSA-N -1 0 353.422 -0.238 20 0 FBADRM Cc1cc(C)nc([N-]S(=O)(=O)CCCS(=O)(=O)NCCO)n1 ZINC000349608957 484188031 /nfs/dbraw/zinc/18/80/31/484188031.db2.gz ZLMFWZHEMIZAMA-UHFFFAOYSA-N -1 0 352.438 -0.863 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCCO2)n1 ZINC000349608961 485274102 /nfs/dbraw/zinc/27/41/02/485274102.db2.gz ZNLVXIGODMEKQP-JTQLQIEISA-N -1 0 367.453 -0.955 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCCO2)n1 ZINC000349608962 485274563 /nfs/dbraw/zinc/27/45/63/485274563.db2.gz ZNLVXIGODMEKQP-SNVBAGLBSA-N -1 0 367.453 -0.955 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCCO2)nn1C ZINC000349609116 846217656 /nfs/dbraw/zinc/21/76/56/846217656.db2.gz OALRXDANAMZTIF-UHFFFAOYSA-N -1 0 367.453 -0.387 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N1CCCCO1)[N-]c1nc[nH]n1 ZINC000349609598 484188373 /nfs/dbraw/zinc/18/83/73/484188373.db2.gz PFEPMPZSIGBLBZ-UHFFFAOYSA-N -1 0 353.426 -0.316 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CC2(C)C)n1 ZINC000349609921 484187625 /nfs/dbraw/zinc/18/76/25/484187625.db2.gz BOMWQRFICUJEPP-JTQLQIEISA-N -1 0 365.481 -0.088 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2CC2(C)C)n1 ZINC000349609922 484187950 /nfs/dbraw/zinc/18/79/50/484187950.db2.gz BOMWQRFICUJEPP-SNVBAGLBSA-N -1 0 365.481 -0.088 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N1CCCO1)[N-]c1ncccn1 ZINC000349609973 484188126 /nfs/dbraw/zinc/18/81/26/484188126.db2.gz PSCCVOZKKTWDQV-UHFFFAOYSA-N -1 0 350.422 -0.034 20 0 FBADRM COc1cc(OC)nc([N-]S(=O)(=O)CCCCS(N)(=O)=O)n1 ZINC000349611161 484188349 /nfs/dbraw/zinc/18/83/49/484188349.db2.gz SFFVXAYEOSKTSW-UHFFFAOYSA-N -1 0 354.410 -0.696 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCCO2)no1 ZINC000349612633 484188067 /nfs/dbraw/zinc/18/80/67/484188067.db2.gz USKXLVHMAGJHRD-UHFFFAOYSA-N -1 0 354.410 -0.133 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCCO2)n1 ZINC000349612739 484574570 /nfs/dbraw/zinc/57/45/70/484574570.db2.gz VJCCRKWLSDGBBJ-UHFFFAOYSA-N -1 0 352.438 -0.091 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCCO2)n[nH]1 ZINC000349612763 484188135 /nfs/dbraw/zinc/18/81/35/484188135.db2.gz VMTMIYWKQVLOMY-UHFFFAOYSA-N -1 0 367.453 -0.144 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CC2(C)C)nn1 ZINC000349614859 484187784 /nfs/dbraw/zinc/18/77/84/484187784.db2.gz MFXFBSFXPAIXPL-JTQLQIEISA-N -1 0 365.481 -0.088 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2CC2(C)C)nn1 ZINC000349614865 484188114 /nfs/dbraw/zinc/18/81/14/484188114.db2.gz MFXFBSFXPAIXPL-SNVBAGLBSA-N -1 0 365.481 -0.088 20 0 FBADRM C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccon1 ZINC000349614962 485275090 /nfs/dbraw/zinc/27/50/90/485275090.db2.gz YRQLUERDSNOXNV-GHMZBOCLSA-N -1 0 367.449 -0.019 20 0 FBADRM CN(C1CC(O)C1)S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccon1 ZINC000349615377 484188509 /nfs/dbraw/zinc/18/85/09/484188509.db2.gz KZCFFWVOGBYBGC-UHFFFAOYSA-N -1 0 367.449 -0.019 20 0 FBADRM CC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ncccn2)C1 ZINC000349618535 484188418 /nfs/dbraw/zinc/18/84/18/484188418.db2.gz NXESHDPMZUPHOS-UHFFFAOYSA-N -1 0 364.449 -0.605 20 0 FBADRM CC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccon2)C1 ZINC000349618574 484187641 /nfs/dbraw/zinc/18/76/41/484187641.db2.gz OELUSGWSKLZVQB-UHFFFAOYSA-N -1 0 353.422 -0.407 20 0 FBADRM Cn1cc(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)cn1 ZINC000349620309 484188075 /nfs/dbraw/zinc/18/80/75/484188075.db2.gz SFBQXJGOANEFSN-UHFFFAOYSA-N -1 0 363.421 -0.341 20 0 FBADRM CC1(C)C[C@@H]1CNS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349621532 484189642 /nfs/dbraw/zinc/18/96/42/484189642.db2.gz UGLLXFQGGUNJJS-SECBINFHSA-N -1 0 351.454 -0.098 20 0 FBADRM CC1(C)C[C@H]1CNS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349621533 484190152 /nfs/dbraw/zinc/19/01/52/484190152.db2.gz UGLLXFQGGUNJJS-VIFPVBQESA-N -1 0 351.454 -0.098 20 0 FBADRM C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccon1 ZINC000349621685 484574063 /nfs/dbraw/zinc/57/40/63/484574063.db2.gz QPEFUXLDPMNSTD-GHMZBOCLSA-N -1 0 367.449 -0.019 20 0 FBADRM C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccon1 ZINC000349621687 484574690 /nfs/dbraw/zinc/57/46/90/484574690.db2.gz QPEFUXLDPMNSTD-MNOVXSKESA-N -1 0 367.449 -0.019 20 0 FBADRM C[C@H]1C[C@H](O)CN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccon1 ZINC000349621690 484574505 /nfs/dbraw/zinc/57/45/05/484574505.db2.gz QPEFUXLDPMNSTD-QWRGUYRKSA-N -1 0 367.449 -0.019 20 0 FBADRM C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccon1 ZINC000349621693 484574053 /nfs/dbraw/zinc/57/40/53/484574053.db2.gz QPEFUXLDPMNSTD-WDEREUQCSA-N -1 0 367.449 -0.019 20 0 FBADRM CC1(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)COC1 ZINC000349622638 484189926 /nfs/dbraw/zinc/18/99/26/484189926.db2.gz VWDFSOPCQICFGG-UHFFFAOYSA-N -1 0 353.422 -0.238 20 0 FBADRM Cn1ccc(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)n1 ZINC000349623730 485274489 /nfs/dbraw/zinc/27/44/89/485274489.db2.gz XEEMXZISDJPLKN-UHFFFAOYSA-N -1 0 363.421 -0.341 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C)(O)C2)n1 ZINC000349626326 484189029 /nfs/dbraw/zinc/18/90/29/484189029.db2.gz VLPAWRCULLJSFZ-UHFFFAOYSA-N -1 0 366.465 -0.662 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C)(O)C2)no1 ZINC000349629291 484189314 /nfs/dbraw/zinc/18/93/14/484189314.db2.gz XMADMNAGINPLLO-UHFFFAOYSA-N -1 0 367.449 -0.099 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C)(O)C2)no1 ZINC000349631006 484190173 /nfs/dbraw/zinc/19/01/73/484190173.db2.gz YFWBUAMIODGUCG-UHFFFAOYSA-N -1 0 368.437 -0.704 20 0 FBADRM CN(C1CC(O)C1)S(=O)(=O)CCCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349633468 484189174 /nfs/dbraw/zinc/18/91/74/484189174.db2.gz ZGGAQRYGWVABKO-UHFFFAOYSA-N -1 0 367.453 -0.889 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCCS(=O)(=O)N1CC(C)(O)C1 ZINC000349634197 484576002 /nfs/dbraw/zinc/57/60/02/484576002.db2.gz ZSBGBTJKNJQPRU-UHFFFAOYSA-N -1 0 367.449 -0.099 20 0 FBADRM Cc1nn(C)c(=O)c(C(=O)N2CSC[C@H]2C(=O)N(C)CC(=O)[O-])c1C ZINC000360092815 245039780 /nfs/dbraw/zinc/03/97/80/245039780.db2.gz LTJUOARZXIWXHG-JTQLQIEISA-N -1 0 368.415 -0.545 20 0 FBADRM Cc1nn(C)c(=O)c(C(=O)N2CSC[C@@H]2C(=O)N(C)CC(=O)[O-])c1C ZINC000360092816 245040338 /nfs/dbraw/zinc/04/03/38/245040338.db2.gz LTJUOARZXIWXHG-SNVBAGLBSA-N -1 0 368.415 -0.545 20 0 FBADRM Cn1cc(C(=O)NC2CCN(C(=O)Cn3[n-]c(=O)ccc3=O)CC2)cn1 ZINC000360159633 245045567 /nfs/dbraw/zinc/04/55/67/245045567.db2.gz TZKQQCKYSCFZFC-UHFFFAOYSA-N -1 0 360.374 -0.897 20 0 FBADRM CCS(=O)(=O)c1ccc2c(c1)N(CC(=O)N[C@@H](C)C(=O)[O-])CC(=O)O2 ZINC000360345101 245043412 /nfs/dbraw/zinc/04/34/12/245043412.db2.gz OZACRXZHMOKMTI-VIFPVBQESA-N -1 0 370.383 -0.205 20 0 FBADRM O=C([C@H]1COCC(=O)N1Cc1ccccc1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000360371603 245045592 /nfs/dbraw/zinc/04/55/92/245045592.db2.gz LLABSHQDGWHZHR-ACJLOTCBSA-N -1 0 372.381 -0.776 20 0 FBADRM O=C([C@H]1COCC(=O)N1Cc1ccccc1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000360371604 245045271 /nfs/dbraw/zinc/04/52/71/245045271.db2.gz LLABSHQDGWHZHR-FZKQIMNGSA-N -1 0 372.381 -0.776 20 0 FBADRM O=C([C@@H]1COCC(=O)N1Cc1ccccc1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000360371605 245043674 /nfs/dbraw/zinc/04/36/74/245043674.db2.gz LLABSHQDGWHZHR-SCLBCKFNSA-N -1 0 372.381 -0.776 20 0 FBADRM O=C([C@@H]1COCC(=O)N1Cc1ccccc1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000360371606 245045281 /nfs/dbraw/zinc/04/52/81/245045281.db2.gz LLABSHQDGWHZHR-UGSOOPFHSA-N -1 0 372.381 -0.776 20 0 FBADRM CCc1nc(=N[C@@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)s[n-]1 ZINC000360450441 536118217 /nfs/dbraw/zinc/11/82/17/536118217.db2.gz WKRRDZHLQSGJHK-LLVKDONJSA-N -1 0 361.493 -0.024 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)Nc2cnc3c(c2)COCC3)c1 ZINC000360466348 245045742 /nfs/dbraw/zinc/04/57/42/245045742.db2.gz KUTXLCRHRLIYPU-UHFFFAOYSA-N -1 0 351.388 -0.195 20 0 FBADRM CCOC(=O)c1c[n-]n(C2CCN(CC(=O)N3CCOCC3)CC2)c1=N ZINC000360658219 245046837 /nfs/dbraw/zinc/04/68/37/245046837.db2.gz RQWNRYHADVDKFV-UHFFFAOYSA-N -1 0 365.434 -0.032 20 0 FBADRM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000361367514 535332153 /nfs/dbraw/zinc/33/21/53/535332153.db2.gz WYUANZYVKHGBBO-NEPJUHHUSA-N -1 0 372.451 -0.306 20 0 FBADRM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000361367515 245059997 /nfs/dbraw/zinc/05/99/97/245059997.db2.gz WYUANZYVKHGBBO-NWDGAFQWSA-N -1 0 372.451 -0.306 20 0 FBADRM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000361367516 245059610 /nfs/dbraw/zinc/05/96/10/245059610.db2.gz WYUANZYVKHGBBO-RYUDHWBXSA-N -1 0 372.451 -0.306 20 0 FBADRM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000361367517 535331971 /nfs/dbraw/zinc/33/19/71/535331971.db2.gz WYUANZYVKHGBBO-VXGBXAGGSA-N -1 0 372.451 -0.306 20 0 FBADRM CC(C)NC(=O)CN1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC000361450659 245059294 /nfs/dbraw/zinc/05/92/94/245059294.db2.gz PUXISDCCZMLBRV-GFCCVEGCSA-N -1 0 353.423 -0.967 20 0 FBADRM CC(C)NC(=O)CN1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC000361450661 245059584 /nfs/dbraw/zinc/05/95/84/245059584.db2.gz PUXISDCCZMLBRV-LBPRGKRZSA-N -1 0 353.423 -0.967 20 0 FBADRM O=C(CNC(=O)c1cnc2ccccc2c1O)N1CC(n2ccnn2)C1 ZINC000361927906 245065391 /nfs/dbraw/zinc/06/53/91/245065391.db2.gz XWNYSNRCFWAYNQ-UHFFFAOYSA-N -1 0 352.354 -0.067 20 0 FBADRM O=C([O-])CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000361975005 245067936 /nfs/dbraw/zinc/06/79/36/245067936.db2.gz STQRLYIYHNNWMM-LLVKDONJSA-N -1 0 370.383 -0.188 20 0 FBADRM O=C([O-])CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000361975006 245066398 /nfs/dbraw/zinc/06/63/98/245066398.db2.gz STQRLYIYHNNWMM-NSHDSACASA-N -1 0 370.383 -0.188 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCn2c(nn(C)c2=O)C1 ZINC000362100840 245066762 /nfs/dbraw/zinc/06/67/62/245066762.db2.gz ZXQREQNDDXSSBH-UHFFFAOYSA-N -1 0 365.415 -0.001 20 0 FBADRM Cc1nn2c([n-]nc2SCC(=O)N2CCOC[C@H]2C2CC2)nc1=O ZINC000362117710 245067297 /nfs/dbraw/zinc/06/72/97/245067297.db2.gz IXZMKMSEHLDQDX-JTQLQIEISA-N -1 0 350.404 -0.149 20 0 FBADRM Cc1nn2c([n-]nc2SCC(=O)N2CCOC[C@@H]2C2CC2)nc1=O ZINC000362117711 245066420 /nfs/dbraw/zinc/06/64/20/245066420.db2.gz IXZMKMSEHLDQDX-SNVBAGLBSA-N -1 0 350.404 -0.149 20 0 FBADRM O=C(Cn1[n-]c(=O)ccc1=O)N1CCCN(C(=O)c2ccccn2)CC1 ZINC000362474125 245073329 /nfs/dbraw/zinc/07/33/29/245073329.db2.gz QRIFYPZEAMZQBJ-UHFFFAOYSA-N -1 0 357.370 -0.281 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)CC1 ZINC000363102919 245090810 /nfs/dbraw/zinc/09/08/10/245090810.db2.gz YVJMVJBONRZZFJ-UHFFFAOYSA-N -1 0 350.393 -0.660 20 0 FBADRM CNC(=O)CN1CCCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CC1 ZINC000363152198 245095016 /nfs/dbraw/zinc/09/50/16/245095016.db2.gz SDFYKLHCRXEFPH-UHFFFAOYSA-N -1 0 368.459 -0.048 20 0 FBADRM O=C(Cn1[n-]c(=O)ccc1=O)N1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000363192141 245097206 /nfs/dbraw/zinc/09/72/06/245097206.db2.gz HAINBFXSGUYJAU-GFCCVEGCSA-N -1 0 350.375 -0.811 20 0 FBADRM O=C(Cn1[n-]c(=O)ccc1=O)N1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000363192142 245096715 /nfs/dbraw/zinc/09/67/15/245096715.db2.gz HAINBFXSGUYJAU-LBPRGKRZSA-N -1 0 350.375 -0.811 20 0 FBADRM O=C(Cn1[n-]c(=O)ccc1=O)NC1CCN(CC(=O)N2CCCC2)CC1 ZINC000363208223 245100842 /nfs/dbraw/zinc/10/08/42/245100842.db2.gz QXUPXMCSSAPDJX-UHFFFAOYSA-N -1 0 363.418 -0.848 20 0 FBADRM Cc1ccc2c(O)c(C(=O)N3CCCN(S(N)(=O)=O)CC3)cnc2n1 ZINC000363233389 245101021 /nfs/dbraw/zinc/10/10/21/245101021.db2.gz HHXSTPGPEIWGHQ-UHFFFAOYSA-N -1 0 365.415 -0.005 20 0 FBADRM CCOC(=O)c1c[n-]n(C2CCN(CC(=O)N3CCNC3=O)CC2)c1=N ZINC000363335299 245109333 /nfs/dbraw/zinc/10/93/33/245109333.db2.gz OBTRRYIYZDLWHQ-UHFFFAOYSA-N -1 0 364.406 -0.339 20 0 FBADRM COc1ccnc(N2CCCN(C(=O)c3cnc([O-])n(C)c3=O)CC2)n1 ZINC000363366079 245112607 /nfs/dbraw/zinc/11/26/07/245112607.db2.gz XVENEYPPKHJLRH-UHFFFAOYSA-N -1 0 360.374 -0.363 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NN2CC(=O)NC2=O)cc1 ZINC000363384381 245111977 /nfs/dbraw/zinc/11/19/77/245111977.db2.gz JTDUWKUTAMBOSC-LBPRGKRZSA-N -1 0 366.399 -0.269 20 0 FBADRM NC(=O)[C@H]1CC(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)=NN1c1ccccc1 ZINC000363394347 245112163 /nfs/dbraw/zinc/11/21/63/245112163.db2.gz ADTVWLLAEINBMW-CHWSQXEVSA-N -1 0 370.373 -0.780 20 0 FBADRM NC(=O)[C@H]1CC(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)=NN1c1ccccc1 ZINC000363394348 245111263 /nfs/dbraw/zinc/11/12/63/245111263.db2.gz ADTVWLLAEINBMW-OLZOCXBDSA-N -1 0 370.373 -0.780 20 0 FBADRM NC(=O)[C@@H]1CC(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)=NN1c1ccccc1 ZINC000363394349 245111667 /nfs/dbraw/zinc/11/16/67/245111667.db2.gz ADTVWLLAEINBMW-QWHCGFSZSA-N -1 0 370.373 -0.780 20 0 FBADRM NC(=O)[C@@H]1CC(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)=NN1c1ccccc1 ZINC000363394350 245111239 /nfs/dbraw/zinc/11/12/39/245111239.db2.gz ADTVWLLAEINBMW-STQMWFEESA-N -1 0 370.373 -0.780 20 0 FBADRM CCn1c2ccccc2n(CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1=O ZINC000363394632 245112718 /nfs/dbraw/zinc/11/27/18/245112718.db2.gz DEUYYVMSZBSACN-CYBMUJFWSA-N -1 0 357.374 -0.064 20 0 FBADRM CCn1c2ccccc2n(CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1=O ZINC000363394633 245111165 /nfs/dbraw/zinc/11/11/65/245111165.db2.gz DEUYYVMSZBSACN-ZDUSSCGKSA-N -1 0 357.374 -0.064 20 0 FBADRM O=C(CNC(=O)c1ccc2c(c1)OCO2)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000363395368 245110801 /nfs/dbraw/zinc/11/08/01/245110801.db2.gz JKAPUFNQHVYXTB-GFCCVEGCSA-N -1 0 360.330 -0.742 20 0 FBADRM O=C(CNC(=O)c1ccc2c(c1)OCO2)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000363395369 245111358 /nfs/dbraw/zinc/11/13/58/245111358.db2.gz JKAPUFNQHVYXTB-LBPRGKRZSA-N -1 0 360.330 -0.742 20 0 FBADRM CCn1c(=O)[nH]c2cc(C(=O)N3CCO[C@@H](c4nnn[n-]4)C3)ccc2c1=O ZINC000363395989 535989769 /nfs/dbraw/zinc/98/97/69/535989769.db2.gz OYNMCQKYAWNUBU-GFCCVEGCSA-N -1 0 371.357 -0.151 20 0 FBADRM CCn1c(=O)[nH]c2cc(C(=O)N3CCO[C@H](c4nnn[n-]4)C3)ccc2c1=O ZINC000363395990 535989255 /nfs/dbraw/zinc/98/92/55/535989255.db2.gz OYNMCQKYAWNUBU-LBPRGKRZSA-N -1 0 371.357 -0.151 20 0 FBADRM O=C(CCn1nnc2ccccc2c1=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000363396824 245111308 /nfs/dbraw/zinc/11/13/08/245111308.db2.gz YSGRVFHUQZQIMZ-GFCCVEGCSA-N -1 0 356.346 -0.705 20 0 FBADRM O=C(CCn1nnc2ccccc2c1=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000363396825 245111420 /nfs/dbraw/zinc/11/14/20/245111420.db2.gz YSGRVFHUQZQIMZ-LBPRGKRZSA-N -1 0 356.346 -0.705 20 0 FBADRM O=C(Cn1cc(Br)ccc1=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000363396858 245110452 /nfs/dbraw/zinc/11/04/52/245110452.db2.gz ZFPQRUXCRRVUGU-SECBINFHSA-N -1 0 369.179 -0.276 20 0 FBADRM O=C(Cn1cc(Br)ccc1=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000363396859 245113247 /nfs/dbraw/zinc/11/32/47/245113247.db2.gz ZFPQRUXCRRVUGU-VIFPVBQESA-N -1 0 369.179 -0.276 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NC2CCN(c3nnnn3C)CC2)o1 ZINC000363397696 245111760 /nfs/dbraw/zinc/11/17/60/245111760.db2.gz VFZSDLXTWNBQEY-UHFFFAOYSA-N -1 0 370.391 -0.463 20 0 FBADRM COCCN(CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1)C(=O)OC(C)(C)C ZINC000363408655 536813857 /nfs/dbraw/zinc/81/38/57/536813857.db2.gz SXTTUNZHCJPGLU-LLVKDONJSA-N -1 0 370.410 -0.017 20 0 FBADRM COCCN(CC(=O)N1CCO[C@H](c2nnn[n-]2)C1)C(=O)OC(C)(C)C ZINC000363408658 536814708 /nfs/dbraw/zinc/81/47/08/536814708.db2.gz SXTTUNZHCJPGLU-NSHDSACASA-N -1 0 370.410 -0.017 20 0 FBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cccs2)C1 ZINC000363419101 245111630 /nfs/dbraw/zinc/11/16/30/245111630.db2.gz UDOYMWVIMIQZJQ-SECBINFHSA-N -1 0 367.474 -0.694 20 0 FBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cccs2)C1 ZINC000363419102 245113063 /nfs/dbraw/zinc/11/30/63/245113063.db2.gz UDOYMWVIMIQZJQ-VIFPVBQESA-N -1 0 367.474 -0.694 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)co1 ZINC000363443518 245115468 /nfs/dbraw/zinc/11/54/68/245115468.db2.gz GUBSTLZKNGAJMD-JTQLQIEISA-N -1 0 355.376 -0.172 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)co1 ZINC000363443519 245116813 /nfs/dbraw/zinc/11/68/13/245116813.db2.gz GUBSTLZKNGAJMD-SNVBAGLBSA-N -1 0 355.376 -0.172 20 0 FBADRM C[C@@H]1Oc2ccccc2N(CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)C1=O ZINC000363517685 484023868 /nfs/dbraw/zinc/02/38/68/484023868.db2.gz MHXVFYROEMLWJV-GWCFXTLKSA-N -1 0 358.358 -0.086 20 0 FBADRM C[C@@H]1Oc2ccccc2N(CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)C1=O ZINC000363517686 484024359 /nfs/dbraw/zinc/02/43/59/484024359.db2.gz MHXVFYROEMLWJV-GXFFZTMASA-N -1 0 358.358 -0.086 20 0 FBADRM C[C@H]1Oc2ccccc2N(CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)C1=O ZINC000363517687 484024692 /nfs/dbraw/zinc/02/46/92/484024692.db2.gz MHXVFYROEMLWJV-MFKMUULPSA-N -1 0 358.358 -0.086 20 0 FBADRM C[C@H]1Oc2ccccc2N(CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)C1=O ZINC000363517688 484023988 /nfs/dbraw/zinc/02/39/88/484023988.db2.gz MHXVFYROEMLWJV-ZWNOBZJWSA-N -1 0 358.358 -0.086 20 0 FBADRM O=C(CN1CCN(Cc2ccccc2)CC1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000363518670 484029416 /nfs/dbraw/zinc/02/94/16/484029416.db2.gz ZBLVBAMOMZIRQL-INIZCTEOSA-N -1 0 371.445 -0.083 20 0 FBADRM O=C(CN1CCN(Cc2ccccc2)CC1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000363518671 484029616 /nfs/dbraw/zinc/02/96/16/484029616.db2.gz ZBLVBAMOMZIRQL-MRXNPFEDSA-N -1 0 371.445 -0.083 20 0 FBADRM CCOC(=O)c1c[n-]n(C2CCN(CC(=O)NCC(=O)OC)CC2)c1=N ZINC000363527058 484055064 /nfs/dbraw/zinc/05/50/64/484055064.db2.gz IIOLKXXFUZLWRV-UHFFFAOYSA-N -1 0 367.406 -0.602 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])cc1 ZINC000363627776 245128774 /nfs/dbraw/zinc/12/87/74/245128774.db2.gz ODMLRMOCBWVTFW-GFCCVEGCSA-N -1 0 350.356 -0.291 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)[O-])cc1 ZINC000363627780 245127908 /nfs/dbraw/zinc/12/79/08/245127908.db2.gz ODMLRMOCBWVTFW-LBPRGKRZSA-N -1 0 350.356 -0.291 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])CC1 ZINC000363631630 245127171 /nfs/dbraw/zinc/12/71/71/245127171.db2.gz PFQDCVOJTAJVTG-GFCCVEGCSA-N -1 0 364.420 -0.318 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])CC1 ZINC000363631631 245128516 /nfs/dbraw/zinc/12/85/16/245128516.db2.gz PFQDCVOJTAJVTG-LBPRGKRZSA-N -1 0 364.420 -0.318 20 0 FBADRM CNC(=O)CN1CCc2ccc(NC(=O)c3cnc([O-])n(C)c3=O)cc21 ZINC000363683537 245132129 /nfs/dbraw/zinc/13/21/29/245132129.db2.gz RZSAOUGSWZNAOX-UHFFFAOYSA-N -1 0 357.370 -0.153 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN2C(=O)N(C)C(=O)[C@H]2C1 ZINC000363755624 245134767 /nfs/dbraw/zinc/13/47/67/245134767.db2.gz YREWMTHQOGNWQN-BDAKNGLRSA-N -1 0 364.324 -0.206 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000363755634 245134920 /nfs/dbraw/zinc/13/49/20/245134920.db2.gz YREWMTHQOGNWQN-IUCAKERBSA-N -1 0 364.324 -0.206 20 0 FBADRM NC(=O)CC[C@@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-] ZINC000363767085 245134512 /nfs/dbraw/zinc/13/45/12/245134512.db2.gz JIJOWOXXPFMAII-LLVKDONJSA-N -1 0 361.420 -0.975 20 0 FBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000363772607 245136022 /nfs/dbraw/zinc/13/60/22/245136022.db2.gz JWJWSBSKSWODEM-CHWSQXEVSA-N -1 0 362.448 -0.077 20 0 FBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000363772615 245135071 /nfs/dbraw/zinc/13/50/71/245135071.db2.gz JWJWSBSKSWODEM-OLZOCXBDSA-N -1 0 362.448 -0.077 20 0 FBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000363772616 245135291 /nfs/dbraw/zinc/13/52/91/245135291.db2.gz JWJWSBSKSWODEM-QWHCGFSZSA-N -1 0 362.448 -0.077 20 0 FBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000363772617 245133954 /nfs/dbraw/zinc/13/39/54/245133954.db2.gz JWJWSBSKSWODEM-STQMWFEESA-N -1 0 362.448 -0.077 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN(c2nnnn2C)CC1 ZINC000363779949 245137544 /nfs/dbraw/zinc/13/75/44/245137544.db2.gz ULQVMPIFFXGLAC-VIFPVBQESA-N -1 0 363.344 -0.438 20 0 FBADRM CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NCCc1nc(=O)o[n-]1)C2=O ZINC000363790787 245139501 /nfs/dbraw/zinc/13/95/01/245139501.db2.gz GPGFHJZRIKLDLH-INIZCTEOSA-N -1 0 365.390 -0.088 20 0 FBADRM CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NCCc1nc(=O)o[n-]1)C2=O ZINC000363790794 245137740 /nfs/dbraw/zinc/13/77/40/245137740.db2.gz GPGFHJZRIKLDLH-MRXNPFEDSA-N -1 0 365.390 -0.088 20 0 FBADRM Cc1nn(C)c(=O)c(C(=O)N2CSC[C@@H]2C(=O)NCC(=O)[O-])c1C ZINC000363794469 245137734 /nfs/dbraw/zinc/13/77/34/245137734.db2.gz VWEDEZBYJRIUJG-SECBINFHSA-N -1 0 354.388 -0.887 20 0 FBADRM Cc1nn(C)c(=O)c(C(=O)N2CSC[C@H]2C(=O)NCC(=O)[O-])c1C ZINC000363794470 245137478 /nfs/dbraw/zinc/13/74/78/245137478.db2.gz VWEDEZBYJRIUJG-VIFPVBQESA-N -1 0 354.388 -0.887 20 0 FBADRM O=C(Cc1csc(N2CCCNC2=O)n1)NCCc1nc(=O)o[n-]1 ZINC000363800283 245138281 /nfs/dbraw/zinc/13/82/81/245138281.db2.gz RIBWWKGLWTUNRI-UHFFFAOYSA-N -1 0 352.376 -0.360 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000363819408 245137310 /nfs/dbraw/zinc/13/73/10/245137310.db2.gz JZKUDMUBESAHME-LLVKDONJSA-N -1 0 374.353 -0.154 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000363819410 245137692 /nfs/dbraw/zinc/13/76/92/245137692.db2.gz JZKUDMUBESAHME-NSHDSACASA-N -1 0 374.353 -0.154 20 0 FBADRM O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)NCCc1nc(=O)o[n-]1 ZINC000363825099 245139121 /nfs/dbraw/zinc/13/91/21/245139121.db2.gz ISTBXZXTHZLPHK-UHFFFAOYSA-N -1 0 369.337 -0.341 20 0 FBADRM CS(=O)(=O)N1C[C@H](C(=O)NCCc2nc(=O)o[n-]2)Oc2ccccc21 ZINC000363916533 245144794 /nfs/dbraw/zinc/14/47/94/245144794.db2.gz CWRGZHTVLODXKZ-LLVKDONJSA-N -1 0 368.371 -0.751 20 0 FBADRM CS(=O)(=O)N1C[C@@H](C(=O)NCCc2nc(=O)o[n-]2)Oc2ccccc21 ZINC000363916535 245143575 /nfs/dbraw/zinc/14/35/75/245143575.db2.gz CWRGZHTVLODXKZ-NSHDSACASA-N -1 0 368.371 -0.751 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000363919685 245143856 /nfs/dbraw/zinc/14/38/56/245143856.db2.gz AEFBEJGNLITKRT-SECBINFHSA-N -1 0 360.326 -0.197 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000363919686 245143463 /nfs/dbraw/zinc/14/34/63/245143463.db2.gz AEFBEJGNLITKRT-VIFPVBQESA-N -1 0 360.326 -0.197 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(CC(=O)NCCc1nc(=O)o[n-]1)C2=O ZINC000363924533 245142968 /nfs/dbraw/zinc/14/29/68/245142968.db2.gz IERDKLOGGGFEFQ-UHFFFAOYSA-N -1 0 351.363 -0.478 20 0 FBADRM CN1C(=O)N(CC(=O)NCCc2nc(=O)o[n-]2)C(=O)C12CCCCC2 ZINC000363927763 536320622 /nfs/dbraw/zinc/32/06/22/536320622.db2.gz RRAYSVAGWVJLBV-UHFFFAOYSA-N -1 0 351.363 -0.382 20 0 FBADRM C[C@@](CO)(CNS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)CC(=O)[O-] ZINC000363984752 245149764 /nfs/dbraw/zinc/14/97/64/245149764.db2.gz JAJUEDVMTKCVKW-INIZCTEOSA-N -1 0 370.427 -0.096 20 0 FBADRM C[C@](CO)(CNS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)CC(=O)[O-] ZINC000363984759 245150199 /nfs/dbraw/zinc/15/01/99/245150199.db2.gz JAJUEDVMTKCVKW-MRXNPFEDSA-N -1 0 370.427 -0.096 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)NCC2(O)Cc3ccccc3C2)c1 ZINC000363990208 245150246 /nfs/dbraw/zinc/15/02/46/245150246.db2.gz HAXZXULTOUQQCX-UHFFFAOYSA-N -1 0 364.427 -0.656 20 0 FBADRM CO[N-]C(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000364000133 245151142 /nfs/dbraw/zinc/15/11/42/245151142.db2.gz MBKYYPPUQYEPPR-UHFFFAOYSA-N -1 0 369.399 -0.726 20 0 FBADRM NC(=O)CC[C@@H](NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)[O-] ZINC000364037857 245153688 /nfs/dbraw/zinc/15/36/88/245153688.db2.gz OPBXZVMWXRGOJQ-GFCCVEGCSA-N -1 0 369.399 -0.851 20 0 FBADRM NC(=O)CC[C@H](NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)[O-] ZINC000364037861 245151629 /nfs/dbraw/zinc/15/16/29/245151629.db2.gz OPBXZVMWXRGOJQ-LBPRGKRZSA-N -1 0 369.399 -0.851 20 0 FBADRM O=C(Cn1[n-]c(=O)ccc1=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000364071522 245153286 /nfs/dbraw/zinc/15/32/86/245153286.db2.gz LRGLHEINIOPLBF-UHFFFAOYSA-N -1 0 350.375 -0.954 20 0 FBADRM CC(C)CN1N=C(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)CCC1=O ZINC000364117828 484182197 /nfs/dbraw/zinc/18/21/97/484182197.db2.gz GKQSMWYYTBKTLR-UHFFFAOYSA-N -1 0 374.448 0.483 20 0 FBADRM CC(=O)NCCN(C(=O)[C@@H]1CC(=O)N(c2nccs2)C1)[C@@H](C)C(=O)[O-] ZINC000364194222 534425814 /nfs/dbraw/zinc/42/58/14/534425814.db2.gz HCQSEAKJTYQPQD-GXSJLCMTSA-N -1 0 368.415 -0.066 20 0 FBADRM CC(=O)NCCN(C(=O)[C@H]1CC(=O)N(c2nccs2)C1)[C@H](C)C(=O)[O-] ZINC000364194227 534425753 /nfs/dbraw/zinc/42/57/53/534425753.db2.gz HCQSEAKJTYQPQD-KOLCDFICSA-N -1 0 368.415 -0.066 20 0 FBADRM CC(=O)NCCN(C(=O)[C@@H]1CC(=O)N(c2nccs2)C1)[C@H](C)C(=O)[O-] ZINC000364194228 534425531 /nfs/dbraw/zinc/42/55/31/534425531.db2.gz HCQSEAKJTYQPQD-MWLCHTKSSA-N -1 0 368.415 -0.066 20 0 FBADRM CC(=O)NCCN(C(=O)[C@H]1CC(=O)N(c2nccs2)C1)[C@@H](C)C(=O)[O-] ZINC000364194229 534425707 /nfs/dbraw/zinc/42/57/07/534425707.db2.gz HCQSEAKJTYQPQD-ONGXEEELSA-N -1 0 368.415 -0.066 20 0 FBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000364216073 245159002 /nfs/dbraw/zinc/15/90/02/245159002.db2.gz AKGTXKVBOXCXRD-CHWSQXEVSA-N -1 0 359.448 -0.028 20 0 FBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000364216074 245159112 /nfs/dbraw/zinc/15/91/12/245159112.db2.gz AKGTXKVBOXCXRD-OLZOCXBDSA-N -1 0 359.448 -0.028 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000364216076 245158758 /nfs/dbraw/zinc/15/87/58/245158758.db2.gz AKGTXKVBOXCXRD-QWHCGFSZSA-N -1 0 359.448 -0.028 20 0 FBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000364216078 245158811 /nfs/dbraw/zinc/15/88/11/245158811.db2.gz AKGTXKVBOXCXRD-STQMWFEESA-N -1 0 359.448 -0.028 20 0 FBADRM Cc1ccc(N2C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)CC2=O)cc1 ZINC000364359334 245165446 /nfs/dbraw/zinc/16/54/46/245165446.db2.gz YCEKNRZKKDMYJX-GFCCVEGCSA-N -1 0 367.427 -0.070 20 0 FBADRM Cc1ccc(N2C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)CC2=O)cc1 ZINC000364359335 245166940 /nfs/dbraw/zinc/16/69/40/245166940.db2.gz YCEKNRZKKDMYJX-LBPRGKRZSA-N -1 0 367.427 -0.070 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000364377458 245169930 /nfs/dbraw/zinc/16/99/30/245169930.db2.gz PWUBVNYTRNQFTF-JTQLQIEISA-N -1 0 373.456 -0.065 20 0 FBADRM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)ccc2O1 ZINC000364398323 245170706 /nfs/dbraw/zinc/17/07/06/245170706.db2.gz CLOCOBVPIWBDMA-WQHBLYJGSA-N -1 0 373.383 -0.335 20 0 FBADRM O=C([O-])C[C@@H]1COCCN1S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000364398997 245171656 /nfs/dbraw/zinc/17/16/56/245171656.db2.gz HTJYIPFSFZPNCG-LLVKDONJSA-N -1 0 353.360 -0.474 20 0 FBADRM O=C([O-])C[C@H]1COCCN1S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000364398998 245170418 /nfs/dbraw/zinc/17/04/18/245170418.db2.gz HTJYIPFSFZPNCG-NSHDSACASA-N -1 0 353.360 -0.474 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])c1 ZINC000364399648 245169317 /nfs/dbraw/zinc/16/93/17/245169317.db2.gz KFOAXFOKJJCKHF-JTQLQIEISA-N -1 0 363.413 -0.046 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])c1 ZINC000364399649 245169970 /nfs/dbraw/zinc/16/99/70/245169970.db2.gz KFOAXFOKJJCKHF-SNVBAGLBSA-N -1 0 363.413 -0.046 20 0 FBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 ZINC000364399651 245168803 /nfs/dbraw/zinc/16/88/03/245168803.db2.gz KGECDARMQGVTOP-NSHDSACASA-N -1 0 362.791 -0.471 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)N3CCOC[C@H]3CC(=O)[O-])cc2C1=O ZINC000364401248 245170971 /nfs/dbraw/zinc/17/09/71/245170971.db2.gz SBRDHTHVZWSMQS-SECBINFHSA-N -1 0 368.367 -0.223 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)N3CCOC[C@@H]3CC(=O)[O-])cc2C1=O ZINC000364401249 245170480 /nfs/dbraw/zinc/17/04/80/245170480.db2.gz SBRDHTHVZWSMQS-VIFPVBQESA-N -1 0 368.367 -0.223 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)N3CCOC[C@@H]3C(=O)[O-])cc2C1=O ZINC000364401262 245168862 /nfs/dbraw/zinc/16/88/62/245168862.db2.gz SKJQPOCGKXBFJL-LLVKDONJSA-N -1 0 354.340 -0.614 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)N3CCOC[C@H]3C(=O)[O-])cc2C1=O ZINC000364401263 245170561 /nfs/dbraw/zinc/17/05/61/245170561.db2.gz SKJQPOCGKXBFJL-NSHDSACASA-N -1 0 354.340 -0.614 20 0 FBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 ZINC000364407802 245171346 /nfs/dbraw/zinc/17/13/46/245171346.db2.gz CLHZGQLBLGFINJ-LLVKDONJSA-N -1 0 362.791 -0.471 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])CC1 ZINC000364407839 535778008 /nfs/dbraw/zinc/77/80/08/535778008.db2.gz COLPFFQEKACJBP-LLVKDONJSA-N -1 0 365.408 -0.819 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])CC1 ZINC000364407843 535778408 /nfs/dbraw/zinc/77/84/08/535778408.db2.gz COLPFFQEKACJBP-NSHDSACASA-N -1 0 365.408 -0.819 20 0 FBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000364413585 245170802 /nfs/dbraw/zinc/17/08/02/245170802.db2.gz CVLRDXSRHAIZFX-CYBMUJFWSA-N -1 0 370.431 -0.274 20 0 FBADRM O=C([O-])C[C@@H]1COCCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000364413792 245170006 /nfs/dbraw/zinc/17/00/06/245170006.db2.gz NGJNZXNKGVQODJ-LLVKDONJSA-N -1 0 354.384 -0.163 20 0 FBADRM O=C([O-])C[C@H]1COCCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000364413793 245170858 /nfs/dbraw/zinc/17/08/58/245170858.db2.gz NGJNZXNKGVQODJ-NSHDSACASA-N -1 0 354.384 -0.163 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000364413878 536821410 /nfs/dbraw/zinc/82/14/10/536821410.db2.gz OBMWNYNGORAEBD-UHFFFAOYSA-N -1 0 356.400 -0.126 20 0 FBADRM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NC1(C(=O)[O-])COC1 ZINC000364418056 245168710 /nfs/dbraw/zinc/16/87/10/245168710.db2.gz SEAMOBBWXBVGJL-UHFFFAOYSA-N -1 0 364.763 -0.664 20 0 FBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000364419544 245168499 /nfs/dbraw/zinc/16/84/99/245168499.db2.gz QWPWRRYOPSQZRB-JTQLQIEISA-N -1 0 363.413 -0.046 20 0 FBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000364419545 245171542 /nfs/dbraw/zinc/17/15/42/245171542.db2.gz QWPWRRYOPSQZRB-SNVBAGLBSA-N -1 0 363.413 -0.046 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NC2(C(=O)[O-])COC2)cc(F)c1F ZINC000364421338 245169996 /nfs/dbraw/zinc/16/99/96/245169996.db2.gz YLNKHSBXTBWRAS-UHFFFAOYSA-N -1 0 351.283 -0.117 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-] ZINC000364421487 245170509 /nfs/dbraw/zinc/17/05/09/245170509.db2.gz RDYJSCLNHWSWOV-NSHDSACASA-N -1 0 362.404 -0.677 20 0 FBADRM O=C(CN1CC(=O)NC1=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000364425057 245174426 /nfs/dbraw/zinc/17/44/26/245174426.db2.gz MMZKFACLKSTNDU-BXUZGUMPSA-N -1 0 374.353 -0.919 20 0 FBADRM O=C(CN1CC(=O)NC1=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000364425058 245174372 /nfs/dbraw/zinc/17/43/72/245174372.db2.gz MMZKFACLKSTNDU-FZMZJTMJSA-N -1 0 374.353 -0.919 20 0 FBADRM O=C(CN1CC(=O)NC1=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000364425059 245172190 /nfs/dbraw/zinc/17/21/90/245172190.db2.gz MMZKFACLKSTNDU-RISCZKNCSA-N -1 0 374.353 -0.919 20 0 FBADRM O=C(CN1CC(=O)NC1=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000364425060 245173659 /nfs/dbraw/zinc/17/36/59/245173659.db2.gz MMZKFACLKSTNDU-SMDDNHRTSA-N -1 0 374.353 -0.919 20 0 FBADRM O=C([O-])C[C@@H]1COCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000364425578 245173565 /nfs/dbraw/zinc/17/35/65/245173565.db2.gz XYBWDCFHLPIKIC-MRVPVSSYSA-N -1 0 369.355 -0.095 20 0 FBADRM O=C([O-])C[C@H]1COCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000364425579 245172377 /nfs/dbraw/zinc/17/23/77/245172377.db2.gz XYBWDCFHLPIKIC-QMMMGPOBSA-N -1 0 369.355 -0.095 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCN4CCC3CC4)cc-2c(=O)[n-]1 ZINC000364455575 245174559 /nfs/dbraw/zinc/17/45/59/245174559.db2.gz PNLIWFISZGNDCB-UHFFFAOYSA-N -1 0 351.388 -0.095 20 0 FBADRM C[C@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000364527925 245177217 /nfs/dbraw/zinc/17/72/17/245177217.db2.gz CQKMZPIUJZIWIU-NXEZZACHSA-N -1 0 363.378 -0.647 20 0 FBADRM C[C@@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000364527926 245175511 /nfs/dbraw/zinc/17/55/11/245175511.db2.gz CQKMZPIUJZIWIU-UWVGGRQHSA-N -1 0 363.378 -0.647 20 0 FBADRM C[C@@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000364527927 245176962 /nfs/dbraw/zinc/17/69/62/245176962.db2.gz CQKMZPIUJZIWIU-VHSXEESVSA-N -1 0 363.378 -0.647 20 0 FBADRM C[C@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000364527928 245175950 /nfs/dbraw/zinc/17/59/50/245175950.db2.gz CQKMZPIUJZIWIU-ZJUUUORDSA-N -1 0 363.378 -0.647 20 0 FBADRM O=C(CSc1nnnn1C1CCCC1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000364528156 245177386 /nfs/dbraw/zinc/17/73/86/245177386.db2.gz FQDCULWVLHULOV-JTQLQIEISA-N -1 0 365.423 -0.007 20 0 FBADRM O=C(CSc1nnnn1C1CCCC1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000364528157 245177140 /nfs/dbraw/zinc/17/71/40/245177140.db2.gz FQDCULWVLHULOV-SNVBAGLBSA-N -1 0 365.423 -0.007 20 0 FBADRM O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000364529526 245175848 /nfs/dbraw/zinc/17/58/48/245175848.db2.gz QGEOFIYGDXUIIB-GFCCVEGCSA-N -1 0 371.357 -0.395 20 0 FBADRM O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000364529527 245177260 /nfs/dbraw/zinc/17/72/60/245177260.db2.gz QGEOFIYGDXUIIB-LBPRGKRZSA-N -1 0 371.357 -0.395 20 0 FBADRM C[C@@H]1NC(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)=NN(c2ccccc2)C1=O ZINC000364529788 245176597 /nfs/dbraw/zinc/17/65/97/245176597.db2.gz UHGIYQSYCYTDOC-CMPLNLGQSA-N -1 0 370.373 -0.562 20 0 FBADRM C[C@@H]1NC(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)=NN(c2ccccc2)C1=O ZINC000364529789 245177359 /nfs/dbraw/zinc/17/73/59/245177359.db2.gz UHGIYQSYCYTDOC-JQWIXIFHSA-N -1 0 370.373 -0.562 20 0 FBADRM C[C@H]1NC(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)=NN(c2ccccc2)C1=O ZINC000364529790 245175343 /nfs/dbraw/zinc/17/53/43/245175343.db2.gz UHGIYQSYCYTDOC-PWSUYJOCSA-N -1 0 370.373 -0.562 20 0 FBADRM C[C@H]1NC(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)=NN(c2ccccc2)C1=O ZINC000364529791 245177337 /nfs/dbraw/zinc/17/73/37/245177337.db2.gz UHGIYQSYCYTDOC-ZYHUDNBSSA-N -1 0 370.373 -0.562 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000364529816 245175653 /nfs/dbraw/zinc/17/56/53/245175653.db2.gz UXDPMLFKEPIVBF-BDAKNGLRSA-N -1 0 372.432 -0.472 20 0 FBADRM C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000364529819 245176514 /nfs/dbraw/zinc/17/65/14/245176514.db2.gz UXDPMLFKEPIVBF-DTWKUNHWSA-N -1 0 372.432 -0.472 20 0 FBADRM C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000364529821 245177235 /nfs/dbraw/zinc/17/72/35/245177235.db2.gz UXDPMLFKEPIVBF-IUCAKERBSA-N -1 0 372.432 -0.472 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000364529822 245176321 /nfs/dbraw/zinc/17/63/21/245176321.db2.gz UXDPMLFKEPIVBF-RKDXNWHRSA-N -1 0 372.432 -0.472 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)[N-]OC[C@H]1CCOC1)CO2 ZINC000364552576 245176133 /nfs/dbraw/zinc/17/61/33/245176133.db2.gz UPYBNGWIOGEKKW-CMPLNLGQSA-N -1 0 356.400 -0.031 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)[N-]OC[C@H]1CCOC1)CO2 ZINC000364552583 245176446 /nfs/dbraw/zinc/17/64/46/245176446.db2.gz UPYBNGWIOGEKKW-JQWIXIFHSA-N -1 0 356.400 -0.031 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)[N-]OC[C@@H]1CCOC1)CO2 ZINC000364552584 245177643 /nfs/dbraw/zinc/17/76/43/245177643.db2.gz UPYBNGWIOGEKKW-PWSUYJOCSA-N -1 0 356.400 -0.031 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)[N-]OC[C@@H]1CCOC1)CO2 ZINC000364552585 245177410 /nfs/dbraw/zinc/17/74/10/245177410.db2.gz UPYBNGWIOGEKKW-ZYHUDNBSSA-N -1 0 356.400 -0.031 20 0 FBADRM O=C(CNC(=O)N1CCc2ccccc2C1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000364573997 245179772 /nfs/dbraw/zinc/17/97/72/245179772.db2.gz GKNPDWOFBDGJHJ-AWEZNQCLSA-N -1 0 371.401 -0.133 20 0 FBADRM O=C(CNC(=O)N1CCc2ccccc2C1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000364574003 245181953 /nfs/dbraw/zinc/18/19/53/245181953.db2.gz GKNPDWOFBDGJHJ-CQSZACIVSA-N -1 0 371.401 -0.133 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)Nc1cc(-c2cnn(C)c2)nn1C ZINC000364612561 245181362 /nfs/dbraw/zinc/18/13/62/245181362.db2.gz CJHIWDFZCMGJGK-UHFFFAOYSA-N -1 0 370.435 -0.285 20 0 FBADRM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000364635947 245180701 /nfs/dbraw/zinc/18/07/01/245180701.db2.gz WZVPCZZLVHUAEO-KRWDZBQOSA-N -1 0 371.353 -0.697 20 0 FBADRM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000364635953 245181532 /nfs/dbraw/zinc/18/15/32/245181532.db2.gz WZVPCZZLVHUAEO-QGZVFWFLSA-N -1 0 371.353 -0.697 20 0 FBADRM COCCc1nc(=N[C@@H]2CCCN(CCN3CCOCC3)C2=O)s[n-]1 ZINC000364682374 245184717 /nfs/dbraw/zinc/18/47/17/245184717.db2.gz ANEUDBNZNFVTTR-CYBMUJFWSA-N -1 0 369.491 -0.116 20 0 FBADRM COCCc1nc(=N[C@H]2CCCN(CCN3CCOCC3)C2=O)s[n-]1 ZINC000364682375 245184782 /nfs/dbraw/zinc/18/47/82/245184782.db2.gz ANEUDBNZNFVTTR-ZDUSSCGKSA-N -1 0 369.491 -0.116 20 0 FBADRM CC(=O)NCCN(C(=O)[C@H]1CC(=O)N(c2ccccn2)C1)[C@@H](C)C(=O)[O-] ZINC000364693129 534425587 /nfs/dbraw/zinc/42/55/87/534425587.db2.gz BZACNTSUENKRAT-AAEUAGOBSA-N -1 0 362.386 -0.128 20 0 FBADRM CC(=O)NCCN(C(=O)[C@@H]1CC(=O)N(c2ccccn2)C1)[C@H](C)C(=O)[O-] ZINC000364693130 534425427 /nfs/dbraw/zinc/42/54/27/534425427.db2.gz BZACNTSUENKRAT-DGCLKSJQSA-N -1 0 362.386 -0.128 20 0 FBADRM CC(=O)NCCN(C(=O)[C@@H]1CC(=O)N(c2ccccn2)C1)[C@@H](C)C(=O)[O-] ZINC000364693132 534425806 /nfs/dbraw/zinc/42/58/06/534425806.db2.gz BZACNTSUENKRAT-WCQYABFASA-N -1 0 362.386 -0.128 20 0 FBADRM CC(=O)NCCN(C(=O)[C@H]1CC(=O)N(c2ccccn2)C1)[C@H](C)C(=O)[O-] ZINC000364693133 534425944 /nfs/dbraw/zinc/42/59/44/534425944.db2.gz BZACNTSUENKRAT-YPMHNXCESA-N -1 0 362.386 -0.128 20 0 FBADRM CN(C)C(=O)CN1CCCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)CC1 ZINC000364707083 245187329 /nfs/dbraw/zinc/18/73/29/245187329.db2.gz PCBJEJRQPAHHIY-UHFFFAOYSA-N -1 0 360.418 -0.090 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])cnc21 ZINC000364812723 245198008 /nfs/dbraw/zinc/19/80/08/245198008.db2.gz NZGHMQDHCPIXPZ-AWEZNQCLSA-N -1 0 368.371 -0.338 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])cnc21 ZINC000364812724 245199008 /nfs/dbraw/zinc/19/90/08/245199008.db2.gz NZGHMQDHCPIXPZ-CQSZACIVSA-N -1 0 368.371 -0.338 20 0 FBADRM O=C([N-]OCCO)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000364913227 245200587 /nfs/dbraw/zinc/20/05/87/245200587.db2.gz FUYLMLRSXYPFOY-GFCCVEGCSA-N -1 0 372.399 -0.349 20 0 FBADRM O=C([N-]OCCO)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000364913230 245200678 /nfs/dbraw/zinc/20/06/78/245200678.db2.gz FUYLMLRSXYPFOY-LBPRGKRZSA-N -1 0 372.399 -0.349 20 0 FBADRM CNS(=O)(=O)CC(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000365027499 245207536 /nfs/dbraw/zinc/20/75/36/245207536.db2.gz OZXXDWCVVTZFBF-AAEUAGOBSA-N -1 0 369.399 -0.921 20 0 FBADRM CNS(=O)(=O)CC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000365027500 245207998 /nfs/dbraw/zinc/20/79/98/245207998.db2.gz OZXXDWCVVTZFBF-DGCLKSJQSA-N -1 0 369.399 -0.921 20 0 FBADRM CNS(=O)(=O)CC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000365027501 245207000 /nfs/dbraw/zinc/20/70/00/245207000.db2.gz OZXXDWCVVTZFBF-WCQYABFASA-N -1 0 369.399 -0.921 20 0 FBADRM CNS(=O)(=O)CC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000365027502 245207920 /nfs/dbraw/zinc/20/79/20/245207920.db2.gz OZXXDWCVVTZFBF-YPMHNXCESA-N -1 0 369.399 -0.921 20 0 FBADRM CCS(=O)(=O)CC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000365060554 245211580 /nfs/dbraw/zinc/21/15/80/245211580.db2.gz GTGNKSHBLGFILX-GXTWGEPZSA-N -1 0 368.411 -0.036 20 0 FBADRM CCS(=O)(=O)CC(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000365060555 245211250 /nfs/dbraw/zinc/21/12/50/245211250.db2.gz GTGNKSHBLGFILX-JSGCOSHPSA-N -1 0 368.411 -0.036 20 0 FBADRM CCS(=O)(=O)CC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000365060556 245210430 /nfs/dbraw/zinc/21/04/30/245210430.db2.gz GTGNKSHBLGFILX-OCCSQVGLSA-N -1 0 368.411 -0.036 20 0 FBADRM CCS(=O)(=O)CC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000365060557 245210912 /nfs/dbraw/zinc/21/09/12/245210912.db2.gz GTGNKSHBLGFILX-TZMCWYRMSA-N -1 0 368.411 -0.036 20 0 FBADRM CO[C@@H](CNS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)CC(=O)[O-] ZINC000365086985 536508894 /nfs/dbraw/zinc/50/88/94/536508894.db2.gz CJFLNDYFZJQVMP-GFCCVEGCSA-N -1 0 356.400 -0.080 20 0 FBADRM CO[C@H](CNS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)CC(=O)[O-] ZINC000365086986 536640321 /nfs/dbraw/zinc/64/03/21/536640321.db2.gz CJFLNDYFZJQVMP-LBPRGKRZSA-N -1 0 356.400 -0.080 20 0 FBADRM Cc1cc(NC(=O)C2CCN(C(=O)Cn3[n-]c(=O)ccc3=O)CC2)no1 ZINC000365090616 484285202 /nfs/dbraw/zinc/28/52/02/484285202.db2.gz MSEBMWWDBWVRCR-UHFFFAOYSA-N -1 0 361.358 0.123 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000365093045 245210074 /nfs/dbraw/zinc/21/00/74/245210074.db2.gz JPNPHYNSXKBOQB-BQBZGAKWSA-N -1 0 353.340 -0.444 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000365095356 245211263 /nfs/dbraw/zinc/21/12/63/245211263.db2.gz SANYPRQNCPZOFU-YUMQZZPRSA-N -1 0 362.326 -0.079 20 0 FBADRM COC(=O)[C@H]1C[C@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)CN1 ZINC000365096123 245210596 /nfs/dbraw/zinc/21/05/96/245210596.db2.gz BCNKNQGAZJMUTD-JOYOIKCWSA-N -1 0 362.411 -0.145 20 0 FBADRM COc1cc(OC)c(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])c(OC)c1 ZINC000365103979 245214214 /nfs/dbraw/zinc/21/42/14/245214214.db2.gz GHUMLRCXMXAYOR-WCBMZHEXSA-N -1 0 361.372 -0.079 20 0 FBADRM COc1cc(OC)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])c(OC)c1 ZINC000365103980 245213885 /nfs/dbraw/zinc/21/38/85/245213885.db2.gz GHUMLRCXMXAYOR-WPRPVWTQSA-N -1 0 361.372 -0.079 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC1(C(=O)[O-])COC1 ZINC000365160932 536117308 /nfs/dbraw/zinc/11/73/08/536117308.db2.gz ZFZRASZRFSMHSK-UHFFFAOYSA-N -1 0 364.401 -0.931 20 0 FBADRM NC(=O)c1cccnc1N1CCCN(C(=O)Cn2[n-]c(=O)ccc2=O)CC1 ZINC000365186060 245216609 /nfs/dbraw/zinc/21/66/09/245216609.db2.gz PJGWHZYYBFXBAD-UHFFFAOYSA-N -1 0 372.385 -0.818 20 0 FBADRM Cn1ncc2c1ncc(C(=O)NC[C@@H]1CCn3ncc(C(N)=O)c3C1)c2O ZINC000365208605 245216139 /nfs/dbraw/zinc/21/61/39/245216139.db2.gz FCAJKIVGGYHPLF-SECBINFHSA-N -1 0 369.385 -0.038 20 0 FBADRM Cn1ncc2c1ncc(C(=O)NC[C@H]1CCn3ncc(C(N)=O)c3C1)c2O ZINC000365208607 245215956 /nfs/dbraw/zinc/21/59/56/245215956.db2.gz FCAJKIVGGYHPLF-VIFPVBQESA-N -1 0 369.385 -0.038 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1 ZINC000365262236 536303362 /nfs/dbraw/zinc/30/33/62/536303362.db2.gz FRYWDCPJGYUTNP-MRVPVSSYSA-N -1 0 359.370 -0.016 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1 ZINC000365262237 536307199 /nfs/dbraw/zinc/30/71/99/536307199.db2.gz FRYWDCPJGYUTNP-QMMMGPOBSA-N -1 0 359.370 -0.016 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000365265196 534862638 /nfs/dbraw/zinc/86/26/38/534862638.db2.gz JQMJLWIJZDQULE-AXFHLTTASA-N -1 0 368.394 -0.530 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000365265197 534862221 /nfs/dbraw/zinc/86/22/21/534862221.db2.gz JQMJLWIJZDQULE-HBNTYKKESA-N -1 0 368.394 -0.530 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCCN(S(N)(=O)=O)CC1 ZINC000365268079 245221479 /nfs/dbraw/zinc/22/14/79/245221479.db2.gz QWDSLPFLYVPDEG-UHFFFAOYSA-N -1 0 360.358 -0.819 20 0 FBADRM CN1C(=O)[C@H]2CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CCN2C1=O ZINC000365288171 245222554 /nfs/dbraw/zinc/22/25/54/245222554.db2.gz UOEFVQAYNFASIG-SSDOTTSWSA-N -1 0 350.297 -0.452 20 0 FBADRM CN1C(=O)[C@@H]2CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CCN2C1=O ZINC000365288172 245222739 /nfs/dbraw/zinc/22/27/39/245222739.db2.gz UOEFVQAYNFASIG-ZETCQYMHSA-N -1 0 350.297 -0.452 20 0 FBADRM CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000365288885 535884989 /nfs/dbraw/zinc/88/49/89/535884989.db2.gz JYRCOFNDLZKPHJ-GFCCVEGCSA-N -1 0 369.465 -0.862 20 0 FBADRM CC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000365288886 245222093 /nfs/dbraw/zinc/22/20/93/245222093.db2.gz JYRCOFNDLZKPHJ-LBPRGKRZSA-N -1 0 369.465 -0.862 20 0 FBADRM CNC(=O)CN1CCCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1 ZINC000365291478 245223089 /nfs/dbraw/zinc/22/30/89/245223089.db2.gz ULDXWXGMDVMZKK-UHFFFAOYSA-N -1 0 352.357 -0.276 20 0 FBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1 ZINC000365291646 245222531 /nfs/dbraw/zinc/22/25/31/245222531.db2.gz NHUREVDCPHOAPI-MRVPVSSYSA-N -1 0 359.370 -0.016 20 0 FBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1 ZINC000365291647 245221520 /nfs/dbraw/zinc/22/15/20/245221520.db2.gz NHUREVDCPHOAPI-QMMMGPOBSA-N -1 0 359.370 -0.016 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CCN2C1=O ZINC000365291828 245223494 /nfs/dbraw/zinc/22/34/94/245223494.db2.gz VGLHDNWMUJRPPJ-MRVPVSSYSA-N -1 0 364.324 -0.062 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CCN2C1=O ZINC000365291829 535436678 /nfs/dbraw/zinc/43/66/78/535436678.db2.gz VGLHDNWMUJRPPJ-QMMMGPOBSA-N -1 0 364.324 -0.062 20 0 FBADRM O=C([O-])c1cn(CCNS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)nn1 ZINC000365359409 245225159 /nfs/dbraw/zinc/22/51/59/245225159.db2.gz PZWBKJZUOAQNAE-UHFFFAOYSA-N -1 0 371.419 -0.703 20 0 FBADRM C[C@@]1(C(=O)NCCC(=O)[N-]S(C)(=O)=O)Cc2ccccc2C(=O)O1 ZINC000365430875 245229950 /nfs/dbraw/zinc/22/99/50/245229950.db2.gz GWHKLAHJMXVLER-HNNXBMFYSA-N -1 0 354.384 -0.260 20 0 FBADRM C[C@]1(C(=O)NCCC(=O)[N-]S(C)(=O)=O)Cc2ccccc2C(=O)O1 ZINC000365430876 245228343 /nfs/dbraw/zinc/22/83/43/245228343.db2.gz GWHKLAHJMXVLER-OAHLLOKOSA-N -1 0 354.384 -0.260 20 0 FBADRM COc1ccc2c(c1)OC[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C2 ZINC000365443546 537001449 /nfs/dbraw/zinc/00/14/49/537001449.db2.gz OGUXNYHEMZYHSZ-LLVKDONJSA-N -1 0 356.400 -0.172 20 0 FBADRM COc1ccc2c(c1)OC[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C2 ZINC000365443547 245231197 /nfs/dbraw/zinc/23/11/97/245231197.db2.gz OGUXNYHEMZYHSZ-NSHDSACASA-N -1 0 356.400 -0.172 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])OCC(=O)N2 ZINC000365450137 245232566 /nfs/dbraw/zinc/23/25/66/245232566.db2.gz HLITWQVBPUINJM-CBAPKCEASA-N -1 0 372.355 -0.765 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-])OCC(=O)N2 ZINC000365450138 245232235 /nfs/dbraw/zinc/23/22/35/245232235.db2.gz HLITWQVBPUINJM-IONNQARKSA-N -1 0 372.355 -0.765 20 0 FBADRM Cn1cc([C@H]2[C@H](CNC(=O)Cn3[n-]c(=O)ccc3=O)CC(=O)N2C)cn1 ZINC000365469073 245230456 /nfs/dbraw/zinc/23/04/56/245230456.db2.gz VSDKLQLRXRENGZ-MGPLVRAMSA-N -1 0 360.374 -0.982 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)CC1 ZINC000365572318 245235284 /nfs/dbraw/zinc/23/52/84/245235284.db2.gz GNNGCIYHLPCEGY-AWEZNQCLSA-N -1 0 359.404 -0.667 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)CC1 ZINC000365572319 245236023 /nfs/dbraw/zinc/23/60/23/245236023.db2.gz GNNGCIYHLPCEGY-CQSZACIVSA-N -1 0 359.404 -0.667 20 0 FBADRM COCCS(=O)(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000365575191 245233972 /nfs/dbraw/zinc/23/39/72/245233972.db2.gz YQTGHSVJEAWIFY-RYUDHWBXSA-N -1 0 360.436 -0.093 20 0 FBADRM COCCS(=O)(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000365575192 245234933 /nfs/dbraw/zinc/23/49/33/245234933.db2.gz YQTGHSVJEAWIFY-TXEJJXNPSA-N -1 0 360.436 -0.093 20 0 FBADRM COCCS(=O)(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000365575193 245235084 /nfs/dbraw/zinc/23/50/84/245235084.db2.gz YQTGHSVJEAWIFY-VXGBXAGGSA-N -1 0 360.436 -0.093 20 0 FBADRM C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC000365577063 245233522 /nfs/dbraw/zinc/23/35/22/245233522.db2.gz VFAJAWAGRBGNHT-ABAIWWIYSA-N -1 0 355.391 -0.314 20 0 FBADRM C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC000365577064 245234952 /nfs/dbraw/zinc/23/49/52/245234952.db2.gz VFAJAWAGRBGNHT-IAQYHMDHSA-N -1 0 355.391 -0.314 20 0 FBADRM C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC000365577065 245235172 /nfs/dbraw/zinc/23/51/72/245235172.db2.gz VFAJAWAGRBGNHT-NHYWBVRUSA-N -1 0 355.391 -0.314 20 0 FBADRM C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC000365577066 245235656 /nfs/dbraw/zinc/23/56/56/245235656.db2.gz VFAJAWAGRBGNHT-XHDPSFHLSA-N -1 0 355.391 -0.314 20 0 FBADRM CCOC(=O)c1c[n-]n(C2CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)c1=N ZINC000365728908 245245565 /nfs/dbraw/zinc/24/55/65/245245565.db2.gz ZSQGMMMHKMLIRG-AWEZNQCLSA-N -1 0 365.434 -0.034 20 0 FBADRM CCOC(=O)c1c[n-]n(C2CCN(C(=O)[C@H]3CN(C)CCO3)CC2)c1=N ZINC000365728909 245244099 /nfs/dbraw/zinc/24/40/99/245244099.db2.gz ZSQGMMMHKMLIRG-CQSZACIVSA-N -1 0 365.434 -0.034 20 0 FBADRM COC(=O)[C@H]1C[C@H](NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)CN1 ZINC000365760278 245244127 /nfs/dbraw/zinc/24/41/27/245244127.db2.gz XJQHAMDRZNETNA-GXFFZTMASA-N -1 0 355.416 0.000 20 0 FBADRM O=C(CN1CCN(c2ccccn2)CC1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000365762818 245243466 /nfs/dbraw/zinc/24/34/66/245243466.db2.gz ABMBUPUJXCONNP-CYBMUJFWSA-N -1 0 358.406 -0.683 20 0 FBADRM O=C(CN1CCN(c2ccccn2)CC1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000365762819 245245406 /nfs/dbraw/zinc/24/54/06/245245406.db2.gz ABMBUPUJXCONNP-ZDUSSCGKSA-N -1 0 358.406 -0.683 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)s1 ZINC000365829323 245249082 /nfs/dbraw/zinc/24/90/82/245249082.db2.gz KYOILWIVEAMAIK-LURJTMIESA-N -1 0 371.404 -0.376 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)s1 ZINC000365829328 245251205 /nfs/dbraw/zinc/25/12/05/245251205.db2.gz KYOILWIVEAMAIK-ZCFIWIBFSA-N -1 0 371.404 -0.376 20 0 FBADRM CN1CCCc2ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc21 ZINC000365834624 536397876 /nfs/dbraw/zinc/39/78/76/536397876.db2.gz RVGFEZUISKRICC-UHFFFAOYSA-N -1 0 355.416 -0.062 20 0 FBADRM CCn1cc(S(=O)(=O)N2CCN3C(=O)N(C)C[C@H]3C2)cc1C(=O)[O-] ZINC000365839839 245250785 /nfs/dbraw/zinc/25/07/85/245250785.db2.gz SJAADTVQNISRDE-JTQLQIEISA-N -1 0 356.404 -0.054 20 0 FBADRM CCn1cc(S(=O)(=O)N2CCN3C(=O)N(C)C[C@@H]3C2)cc1C(=O)[O-] ZINC000365839840 245251018 /nfs/dbraw/zinc/25/10/18/245251018.db2.gz SJAADTVQNISRDE-SNVBAGLBSA-N -1 0 356.404 -0.054 20 0 FBADRM CCC[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)c1nnn[n-]1 ZINC000365857390 535358760 /nfs/dbraw/zinc/35/87/60/535358760.db2.gz RZUDVGDETNJJKN-GRYCIOLGSA-N -1 0 352.395 -0.437 20 0 FBADRM CCC[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)c1nnn[n-]1 ZINC000365857391 245250427 /nfs/dbraw/zinc/25/04/27/245250427.db2.gz RZUDVGDETNJJKN-SDDRHHMPSA-N -1 0 352.395 -0.437 20 0 FBADRM CC(C)C(=O)N[C@@H](CO)C(=O)N1CC(S(=O)(=O)Nc2ccccc2)C1 ZINC000365866315 245248747 /nfs/dbraw/zinc/24/87/47/245248747.db2.gz MDWNGVTVDMNZNF-AWEZNQCLSA-N -1 0 369.443 -0.228 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])c(OC)c1 ZINC000365988750 245256202 /nfs/dbraw/zinc/25/62/02/245256202.db2.gz MJDCGSVBZQHLCY-UWVGGRQHSA-N -1 0 359.356 -0.310 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])c(OC)c1 ZINC000365988756 245254638 /nfs/dbraw/zinc/25/46/38/245254638.db2.gz MJDCGSVBZQHLCY-VHSXEESVSA-N -1 0 359.356 -0.310 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c(OC)c1 ZINC000365988757 245254905 /nfs/dbraw/zinc/25/49/05/245254905.db2.gz MJDCGSVBZQHLCY-ZJUUUORDSA-N -1 0 359.356 -0.310 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCCN(CC(N)=O)CC1 ZINC000366053447 245257251 /nfs/dbraw/zinc/25/72/51/245257251.db2.gz NDDRVNCUOHTNOC-NSHDSACASA-N -1 0 352.357 -0.291 20 0 FBADRM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NCCc1nc(=O)o[n-]1)C2=O ZINC000366055960 245258385 /nfs/dbraw/zinc/25/83/85/245258385.db2.gz GSHUFLMPARGZRI-NXEZZACHSA-N -1 0 365.390 -0.232 20 0 FBADRM C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NCCc1nc(=O)o[n-]1)C2=O ZINC000366055961 245256868 /nfs/dbraw/zinc/25/68/68/245256868.db2.gz GSHUFLMPARGZRI-UWVGGRQHSA-N -1 0 365.390 -0.232 20 0 FBADRM C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)NCCc1nc(=O)o[n-]1)C2=O ZINC000366055962 245259041 /nfs/dbraw/zinc/25/90/41/245259041.db2.gz GSHUFLMPARGZRI-WRBXQSRGSA-N -1 0 365.390 -0.232 20 0 FBADRM CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCc1nc(=O)o[n-]1 ZINC000366056090 245258282 /nfs/dbraw/zinc/25/82/82/245258282.db2.gz HOLPROLGFSZEMR-GFCCVEGCSA-N -1 0 366.399 -0.592 20 0 FBADRM CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1nc(=O)o[n-]1 ZINC000366056091 245256944 /nfs/dbraw/zinc/25/69/44/245256944.db2.gz HOLPROLGFSZEMR-LBPRGKRZSA-N -1 0 366.399 -0.592 20 0 FBADRM C[N@@H+](CC(=O)[O-])C[C@H]1CN(CC(=O)NCCOc2ccccc2)CCO1 ZINC000366093183 245261068 /nfs/dbraw/zinc/26/10/68/245261068.db2.gz NRTJHURREGRAHO-INIZCTEOSA-N -1 0 365.430 -0.101 20 0 FBADRM C[N@@H+](CC(=O)[O-])C[C@@H]1CN(CC(=O)NCCOc2ccccc2)CCO1 ZINC000366093187 245261290 /nfs/dbraw/zinc/26/12/90/245261290.db2.gz NRTJHURREGRAHO-MRXNPFEDSA-N -1 0 365.430 -0.101 20 0 FBADRM COCC[C@@H]1COCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000366129304 245263788 /nfs/dbraw/zinc/26/37/88/245263788.db2.gz OKOXZUWLKBWPFO-SECBINFHSA-N -1 0 370.387 -0.138 20 0 FBADRM COCC[C@H]1COCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000366129305 245264793 /nfs/dbraw/zinc/26/47/93/245264793.db2.gz OKOXZUWLKBWPFO-VIFPVBQESA-N -1 0 370.387 -0.138 20 0 FBADRM COC(=O)[C@H]1C[C@H](NC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)CN1 ZINC000366151811 245263423 /nfs/dbraw/zinc/26/34/23/245263423.db2.gz NXFGZYFVXMDZSQ-JOYOIKCWSA-N -1 0 359.379 -0.170 20 0 FBADRM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)C1 ZINC000366294420 534843910 /nfs/dbraw/zinc/84/39/10/534843910.db2.gz DCAHYGQMNHKPIK-GHMZBOCLSA-N -1 0 368.394 -0.265 20 0 FBADRM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)C1 ZINC000366294421 534845748 /nfs/dbraw/zinc/84/57/48/534845748.db2.gz DCAHYGQMNHKPIK-MNOVXSKESA-N -1 0 368.394 -0.265 20 0 FBADRM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCO[C@H](c3nnn[n-]3)C2)C1 ZINC000366294422 534845412 /nfs/dbraw/zinc/84/54/12/534845412.db2.gz DCAHYGQMNHKPIK-QWRGUYRKSA-N -1 0 368.394 -0.265 20 0 FBADRM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCO[C@H](c3nnn[n-]3)C2)C1 ZINC000366294423 534844616 /nfs/dbraw/zinc/84/46/16/534844616.db2.gz DCAHYGQMNHKPIK-WDEREUQCSA-N -1 0 368.394 -0.265 20 0 FBADRM CS(=O)(=O)N1C[C@H](C(=O)N2CCO[C@@H](C(=O)[O-])C2)Oc2ccccc21 ZINC000366326412 245272880 /nfs/dbraw/zinc/27/28/80/245272880.db2.gz DSKFMBQBSFWJCF-CHWSQXEVSA-N -1 0 370.383 -0.474 20 0 FBADRM CS(=O)(=O)N1C[C@H](C(=O)N2CCO[C@H](C(=O)[O-])C2)Oc2ccccc21 ZINC000366326415 245274925 /nfs/dbraw/zinc/27/49/25/245274925.db2.gz DSKFMBQBSFWJCF-OLZOCXBDSA-N -1 0 370.383 -0.474 20 0 FBADRM CS(=O)(=O)N1C[C@@H](C(=O)N2CCO[C@@H](C(=O)[O-])C2)Oc2ccccc21 ZINC000366326417 245274103 /nfs/dbraw/zinc/27/41/03/245274103.db2.gz DSKFMBQBSFWJCF-QWHCGFSZSA-N -1 0 370.383 -0.474 20 0 FBADRM CS(=O)(=O)N1C[C@@H](C(=O)N2CCO[C@H](C(=O)[O-])C2)Oc2ccccc21 ZINC000366326419 245275637 /nfs/dbraw/zinc/27/56/37/245275637.db2.gz DSKFMBQBSFWJCF-STQMWFEESA-N -1 0 370.383 -0.474 20 0 FBADRM O=C(Cn1[n-]c(=O)ccc1=O)N1CCn2c(nnc2-c2cccnc2)C1 ZINC000366409707 245277396 /nfs/dbraw/zinc/27/73/96/245277396.db2.gz YNBZNWPZAZCGMF-UHFFFAOYSA-N -1 0 353.342 -0.355 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCC(COC)(C(=O)[O-])CC1 ZINC000366419529 245278747 /nfs/dbraw/zinc/27/87/47/245278747.db2.gz SLCJHERTXCWZST-UHFFFAOYSA-N -1 0 350.437 -0.002 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2ccc(-c3cnccn3)cn2)c(=O)n(C)c1=O ZINC000366470002 245280557 /nfs/dbraw/zinc/28/05/57/245280557.db2.gz FOJQXTTVCCJZQX-UHFFFAOYSA-N -1 0 374.382 -0.263 20 0 FBADRM COCC1(C(=O)[O-])CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000366475831 245284056 /nfs/dbraw/zinc/28/40/56/245284056.db2.gz NHUKCNITZNURDX-UHFFFAOYSA-N -1 0 359.404 -0.374 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cc(-c3cccnc3)on2)c(=O)n(C)c1=O ZINC000366492326 245283734 /nfs/dbraw/zinc/28/37/34/245283734.db2.gz UVFBLIOMXLRQJU-UHFFFAOYSA-N -1 0 363.355 -0.065 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@@H]3OCC(=O)N[C@@H]3C2)ccc1F ZINC000366628153 245294720 /nfs/dbraw/zinc/29/47/20/245294720.db2.gz FMNZREOMSVCVSA-NEPJUHHUSA-N -1 0 358.347 -0.198 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@H]3C2)ccc1F ZINC000366628159 245294095 /nfs/dbraw/zinc/29/40/95/245294095.db2.gz FMNZREOMSVCVSA-NWDGAFQWSA-N -1 0 358.347 -0.198 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)ccc1F ZINC000366628160 245294050 /nfs/dbraw/zinc/29/40/50/245294050.db2.gz FMNZREOMSVCVSA-RYUDHWBXSA-N -1 0 358.347 -0.198 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)ccc1F ZINC000366628162 245294020 /nfs/dbraw/zinc/29/40/20/245294020.db2.gz FMNZREOMSVCVSA-VXGBXAGGSA-N -1 0 358.347 -0.198 20 0 FBADRM COCCC1(C(=O)[O-])CCN(S(=O)(=O)N(C)CCC(=O)OC)CC1 ZINC000366638085 245293530 /nfs/dbraw/zinc/29/35/30/245293530.db2.gz CJPKOLXIFLGYSR-UHFFFAOYSA-N -1 0 366.436 -0.071 20 0 FBADRM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NC2(C(=O)[O-])COC2)c1 ZINC000366643127 245294930 /nfs/dbraw/zinc/29/49/30/245294930.db2.gz OVGCLMGGJJRJCY-UHFFFAOYSA-N -1 0 373.339 -0.608 20 0 FBADRM O=C([O-])c1cc(F)cc(S(=O)(=O)N2CC[C@@H]3OCC(=O)N[C@@H]3C2)c1 ZINC000366645012 245294265 /nfs/dbraw/zinc/29/42/65/245294265.db2.gz QXXWLPDRKXKJSQ-NEPJUHHUSA-N -1 0 358.347 -0.198 20 0 FBADRM O=C([O-])c1cc(F)cc(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@H]3C2)c1 ZINC000366645013 245294854 /nfs/dbraw/zinc/29/48/54/245294854.db2.gz QXXWLPDRKXKJSQ-NWDGAFQWSA-N -1 0 358.347 -0.198 20 0 FBADRM O=C([O-])c1cc(F)cc(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)c1 ZINC000366645014 245294545 /nfs/dbraw/zinc/29/45/45/245294545.db2.gz QXXWLPDRKXKJSQ-VXGBXAGGSA-N -1 0 358.347 -0.198 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000366645223 245294152 /nfs/dbraw/zinc/29/41/52/245294152.db2.gz SFZQLNFUMWCWHF-YPMHNXCESA-N -1 0 354.384 -0.639 20 0 FBADRM Cn1cc(C[C@@H](NS(=O)(=O)c2cn3c(n2)CCCC3)C(=O)[O-])cn1 ZINC000366645902 245292957 /nfs/dbraw/zinc/29/29/57/245292957.db2.gz UKCVLFUXYHHEPE-LLVKDONJSA-N -1 0 353.404 -0.073 20 0 FBADRM Cn1cc(C[C@H](NS(=O)(=O)c2cn3c(n2)CCCC3)C(=O)[O-])cn1 ZINC000366645908 245294702 /nfs/dbraw/zinc/29/47/02/245294702.db2.gz UKCVLFUXYHHEPE-NSHDSACASA-N -1 0 353.404 -0.073 20 0 FBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)NC2(C(=O)[O-])COC2)cc1F ZINC000366648460 245296971 /nfs/dbraw/zinc/29/69/71/245296971.db2.gz YQMMMBHIPIVQGM-UHFFFAOYSA-N -1 0 368.364 -0.671 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000366649096 245297209 /nfs/dbraw/zinc/29/72/09/245297209.db2.gz ZUMDWZYYGYTABL-JTQLQIEISA-N -1 0 358.420 -0.181 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000366649098 245296844 /nfs/dbraw/zinc/29/68/44/245296844.db2.gz ZUMDWZYYGYTABL-SNVBAGLBSA-N -1 0 358.420 -0.181 20 0 FBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366652727 245295856 /nfs/dbraw/zinc/29/58/56/245295856.db2.gz KTZWFOSQYVZIQH-CHWSQXEVSA-N -1 0 374.422 -0.199 20 0 FBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000366652728 245296759 /nfs/dbraw/zinc/29/67/59/245296759.db2.gz KTZWFOSQYVZIQH-OLZOCXBDSA-N -1 0 374.422 -0.199 20 0 FBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000366652729 245296983 /nfs/dbraw/zinc/29/69/83/245296983.db2.gz KTZWFOSQYVZIQH-QWHCGFSZSA-N -1 0 374.422 -0.199 20 0 FBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000366652730 245295815 /nfs/dbraw/zinc/29/58/15/245295815.db2.gz KTZWFOSQYVZIQH-STQMWFEESA-N -1 0 374.422 -0.199 20 0 FBADRM O=C([O-])Cc1ccc(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)s1 ZINC000366656477 245297331 /nfs/dbraw/zinc/29/73/31/245297331.db2.gz YBRHENSNRICYLE-NXEZZACHSA-N -1 0 360.413 -0.347 20 0 FBADRM O=C([O-])Cc1ccc(S(=O)(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)s1 ZINC000366656479 245297311 /nfs/dbraw/zinc/29/73/11/245297311.db2.gz YBRHENSNRICYLE-UWVGGRQHSA-N -1 0 360.413 -0.347 20 0 FBADRM O=C([O-])Cc1ccc(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@H]3C2)s1 ZINC000366656480 245297559 /nfs/dbraw/zinc/29/75/59/245297559.db2.gz YBRHENSNRICYLE-VHSXEESVSA-N -1 0 360.413 -0.347 20 0 FBADRM O=C([O-])Cc1ccc(S(=O)(=O)N2CC[C@@H]3OCC(=O)N[C@@H]3C2)s1 ZINC000366656481 245296574 /nfs/dbraw/zinc/29/65/74/245296574.db2.gz YBRHENSNRICYLE-ZJUUUORDSA-N -1 0 360.413 -0.347 20 0 FBADRM CCn1cc(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@H]3C2)cc1C(=O)[O-] ZINC000366658711 245296210 /nfs/dbraw/zinc/29/62/10/245296210.db2.gz YVCUESBWTFYWJV-CMPLNLGQSA-N -1 0 357.388 -0.516 20 0 FBADRM CCn1cc(S(=O)(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1C(=O)[O-] ZINC000366658730 245297733 /nfs/dbraw/zinc/29/77/33/245297733.db2.gz YVCUESBWTFYWJV-JQWIXIFHSA-N -1 0 357.388 -0.516 20 0 FBADRM CCn1cc(S(=O)(=O)N2CC[C@@H]3OCC(=O)N[C@@H]3C2)cc1C(=O)[O-] ZINC000366658735 245297443 /nfs/dbraw/zinc/29/74/43/245297443.db2.gz YVCUESBWTFYWJV-PWSUYJOCSA-N -1 0 357.388 -0.516 20 0 FBADRM CCn1cc(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1C(=O)[O-] ZINC000366658737 245296995 /nfs/dbraw/zinc/29/69/95/245296995.db2.gz YVCUESBWTFYWJV-ZYHUDNBSSA-N -1 0 357.388 -0.516 20 0 FBADRM C[C@H]1OCCN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)[C@@H]1C(=O)[O-] ZINC000366729603 245298774 /nfs/dbraw/zinc/29/87/74/245298774.db2.gz MCYPAOFJWGXFBT-MFKMUULPSA-N -1 0 360.432 -0.109 20 0 FBADRM O=C(Cn1[n-]c(=O)ccc1=O)N1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000366790412 245302060 /nfs/dbraw/zinc/30/20/60/245302060.db2.gz AMYXUVDWIHEXIB-JTQLQIEISA-N -1 0 374.357 -0.412 20 0 FBADRM O=C(Cn1[n-]c(=O)ccc1=O)N1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 ZINC000366790413 245301492 /nfs/dbraw/zinc/30/14/92/245301492.db2.gz AMYXUVDWIHEXIB-SNVBAGLBSA-N -1 0 374.357 -0.412 20 0 FBADRM CCn1ccnc(N2CCC(NC(=O)Cn3[n-]c(=O)ccc3=O)CC2)c1=O ZINC000366813582 245304765 /nfs/dbraw/zinc/30/47/65/245304765.db2.gz XGLTWQHHIGPOOH-UHFFFAOYSA-N -1 0 374.401 -0.689 20 0 FBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccccc2S(C)(=O)=O)C1 ZINC000366839010 536764517 /nfs/dbraw/zinc/76/45/17/536764517.db2.gz VXCGKWPURVQNAI-ZJUUUORDSA-N -1 0 363.413 -0.047 20 0 FBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C1 ZINC000366862333 536765244 /nfs/dbraw/zinc/76/52/44/536765244.db2.gz GBKFYJRJFOSXRM-HQJQHLMTSA-N -1 0 369.355 -0.096 20 0 FBADRM O=S(=O)([N-]CC(F)(F)F)NC[C@]1(N2CCOCC2)CCCOC1 ZINC000367020828 245311749 /nfs/dbraw/zinc/31/17/49/245311749.db2.gz BYUUYVUUGCXISI-LLVKDONJSA-N -1 0 361.386 -0.146 20 0 FBADRM O=S(=O)([N-]CC(F)(F)F)NC[C@@]1(N2CCOCC2)CCCOC1 ZINC000367020829 245311520 /nfs/dbraw/zinc/31/15/20/245311520.db2.gz BYUUYVUUGCXISI-NSHDSACASA-N -1 0 361.386 -0.146 20 0 FBADRM O=S(=O)([N-]CC(F)(F)F)N1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000367022323 245312237 /nfs/dbraw/zinc/31/22/37/245312237.db2.gz HSAOKDNVBNHQHR-MRVPVSSYSA-N -1 0 351.372 -0.461 20 0 FBADRM O=S(=O)([N-]CC(F)(F)F)N1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000367022324 245310694 /nfs/dbraw/zinc/31/06/94/245310694.db2.gz HSAOKDNVBNHQHR-QMMMGPOBSA-N -1 0 351.372 -0.461 20 0 FBADRM CC(C)NC(=O)CN1CCCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000367024022 245312430 /nfs/dbraw/zinc/31/24/30/245312430.db2.gz NSBVUUPWTZDTNY-UHFFFAOYSA-N -1 0 360.402 -0.085 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC(F)(F)[C@@H](C(=O)[O-])C1 ZINC000367024343 245311190 /nfs/dbraw/zinc/31/11/90/245311190.db2.gz YHKHISFNPBJGJP-MRVPVSSYSA-N -1 0 364.392 -0.703 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC(F)(F)[C@H](C(=O)[O-])C1 ZINC000367024344 245310771 /nfs/dbraw/zinc/31/07/71/245310771.db2.gz YHKHISFNPBJGJP-QMMMGPOBSA-N -1 0 364.392 -0.703 20 0 FBADRM Cn1cc(-c2nnc3n2CCN(S(=O)(=O)[N-]CC(F)(F)F)C3)cn1 ZINC000367035454 245314493 /nfs/dbraw/zinc/31/44/93/245314493.db2.gz JDQFLIJEJQVCHK-UHFFFAOYSA-N -1 0 365.341 -0.109 20 0 FBADRM CN1C(=O)C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)c2ccccc21 ZINC000367070868 245314596 /nfs/dbraw/zinc/31/45/96/245314596.db2.gz HODFFMUGJYPAGN-LLVKDONJSA-N -1 0 353.400 -0.281 20 0 FBADRM CN1C(=O)C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)c2ccccc21 ZINC000367070869 245315996 /nfs/dbraw/zinc/31/59/96/245315996.db2.gz HODFFMUGJYPAGN-NSHDSACASA-N -1 0 353.400 -0.281 20 0 FBADRM C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000367071381 245315823 /nfs/dbraw/zinc/31/58/23/245315823.db2.gz JYJWWEWKUBUJOR-GRYCIOLGSA-N -1 0 359.448 -0.394 20 0 FBADRM C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000367071382 245314568 /nfs/dbraw/zinc/31/45/68/245314568.db2.gz JYJWWEWKUBUJOR-IJLUTSLNSA-N -1 0 359.448 -0.394 20 0 FBADRM C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000367071383 245314979 /nfs/dbraw/zinc/31/49/79/245314979.db2.gz JYJWWEWKUBUJOR-UTUOFQBUSA-N -1 0 359.448 -0.394 20 0 FBADRM C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000367071384 245314806 /nfs/dbraw/zinc/31/48/06/245314806.db2.gz JYJWWEWKUBUJOR-WOPDTQHZSA-N -1 0 359.448 -0.394 20 0 FBADRM COc1cccc2c1OC[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C2 ZINC000367094016 245319232 /nfs/dbraw/zinc/31/92/32/245319232.db2.gz WAPSMZUUNSHAAR-LLVKDONJSA-N -1 0 356.400 -0.172 20 0 FBADRM COc1cccc2c1OC[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C2 ZINC000367094017 245317818 /nfs/dbraw/zinc/31/78/18/245317818.db2.gz WAPSMZUUNSHAAR-NSHDSACASA-N -1 0 356.400 -0.172 20 0 FBADRM Cn1nc2n(c1=O)CCN(C(=O)c1ccccc1[N-]S(C)(=O)=O)C2 ZINC000367116270 245318239 /nfs/dbraw/zinc/31/82/39/245318239.db2.gz AGJRJNQZWMLISA-UHFFFAOYSA-N -1 0 351.388 -0.391 20 0 FBADRM O=C([O-])[C@]1(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CCOC1 ZINC000367135692 245319183 /nfs/dbraw/zinc/31/91/83/245319183.db2.gz OLCNVUDBAYQCRK-AWEZNQCLSA-N -1 0 357.388 -0.227 20 0 FBADRM O=C([O-])[C@@]1(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CCOC1 ZINC000367135693 245318392 /nfs/dbraw/zinc/31/83/92/245318392.db2.gz OLCNVUDBAYQCRK-CQSZACIVSA-N -1 0 357.388 -0.227 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)CC1 ZINC000367140028 535778337 /nfs/dbraw/zinc/77/83/37/535778337.db2.gz CEFYFENXTZIQPJ-UHFFFAOYSA-N -1 0 365.408 -0.771 20 0 FBADRM O=C([O-])C1(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CCOCC1 ZINC000367141004 245318171 /nfs/dbraw/zinc/31/81/71/245318171.db2.gz ONUQCOOFFCNJSS-UHFFFAOYSA-N -1 0 354.384 -0.115 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N2[C@@H](C)COC[C@H]2C(=O)[O-])CC1 ZINC000367169415 245319832 /nfs/dbraw/zinc/31/98/32/245319832.db2.gz DTGHHRVDVGQYQJ-JQWIXIFHSA-N -1 0 364.420 -0.320 20 0 FBADRM C[C@H]1COC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000367169511 245321065 /nfs/dbraw/zinc/32/10/65/245321065.db2.gz FUHUEMDBANRGSV-UFBFGSQYSA-N -1 0 368.367 -0.225 20 0 FBADRM C[C@H]1COC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000367169853 245321429 /nfs/dbraw/zinc/32/14/29/245321429.db2.gz GDLQEGCDECLZJP-WPRPVWTQSA-N -1 0 364.401 -0.652 20 0 FBADRM C[C@H]1COC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000367170517 245321137 /nfs/dbraw/zinc/32/11/37/245321137.db2.gz HQNNBONKVSZQQH-CPCISQLKSA-N -1 0 369.355 -0.096 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2[C@@H](C)COC[C@H]2C(=O)[O-])CC1 ZINC000367170592 245321236 /nfs/dbraw/zinc/32/12/36/245321236.db2.gz IHWXBCKWUSWARL-ONGXEEELSA-N -1 0 350.393 -0.710 20 0 FBADRM C[C@H]1COC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000367171402 245320160 /nfs/dbraw/zinc/32/01/60/245320160.db2.gz JZZLOOUFBHUIIE-CABZTGNLSA-N -1 0 363.413 -0.047 20 0 FBADRM C[C@H]1COC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000367173761 245321890 /nfs/dbraw/zinc/32/18/90/245321890.db2.gz RHMQGTKUIMXENZ-CABZTGNLSA-N -1 0 359.404 -0.411 20 0 FBADRM C[C@H]1COC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000367173799 245321520 /nfs/dbraw/zinc/32/15/20/245321520.db2.gz RSOBQBRBXXAWIA-CABZTGNLSA-N -1 0 353.360 -0.475 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1[C@@H](C)COC[C@H]1C(=O)[O-] ZINC000367174015 245320016 /nfs/dbraw/zinc/32/00/16/245320016.db2.gz STWUNVCOGXJHRV-AXFHLTTASA-N -1 0 350.393 -0.567 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1[C@@H](C)COC[C@H]1C(=O)[O-] ZINC000367174016 535534811 /nfs/dbraw/zinc/53/48/11/535534811.db2.gz STWUNVCOGXJHRV-DCAQKATOSA-N -1 0 350.393 -0.567 20 0 FBADRM C[C@H]1COC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000367174185 245319680 /nfs/dbraw/zinc/31/96/80/245319680.db2.gz UDVXEQXRQRIDNY-CABZTGNLSA-N -1 0 363.413 -0.047 20 0 FBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)C1 ZINC000367175109 536764595 /nfs/dbraw/zinc/76/45/95/536764595.db2.gz VHJNCENBSHMKME-SCZZXKLOSA-N -1 0 364.401 -0.652 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N[C@@]3(C(N)=O)CCCOC3)cc2[n-]c1=S ZINC000367176069 245320352 /nfs/dbraw/zinc/32/03/52/245320352.db2.gz GBFGBRDCNIPZAI-INIZCTEOSA-N -1 0 362.411 -0.014 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N[C@]3(C(N)=O)CCCOC3)cc2[n-]c1=S ZINC000367176070 245320842 /nfs/dbraw/zinc/32/08/42/245320842.db2.gz GBFGBRDCNIPZAI-MRXNPFEDSA-N -1 0 362.411 -0.014 20 0 FBADRM NC(=O)Cn1cc(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])cn1 ZINC000367180398 245321855 /nfs/dbraw/zinc/32/18/55/245321855.db2.gz LFXNHNUTJABNQZ-UHFFFAOYSA-N -1 0 372.316 -0.192 20 0 FBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000367181990 536764583 /nfs/dbraw/zinc/76/45/83/536764583.db2.gz VSKOBANUEMFDDM-KCJUWKMLSA-N -1 0 356.356 -0.006 20 0 FBADRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCn3c(nn(C)c3=O)C2)c1 ZINC000367185965 245319566 /nfs/dbraw/zinc/31/95/66/245319566.db2.gz NVZIRGVYKZBPOZ-UHFFFAOYSA-N -1 0 365.415 -0.082 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])CC1 ZINC000367198690 535778275 /nfs/dbraw/zinc/77/82/75/535778275.db2.gz FCBDZNVMCATWFJ-MNOVXSKESA-N -1 0 365.408 -0.821 20 0 FBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C1 ZINC000367198732 536764843 /nfs/dbraw/zinc/76/48/43/536764843.db2.gz FMHDEJHGKCCWEL-PELKAZGASA-N -1 0 368.367 -0.225 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-] ZINC000367198924 245322614 /nfs/dbraw/zinc/32/26/14/245322614.db2.gz HIDVNFLQSBCNAB-MXWKQRLJSA-N -1 0 350.393 -0.567 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-] ZINC000367198925 535534694 /nfs/dbraw/zinc/53/46/94/535534694.db2.gz HIDVNFLQSBCNAB-VWYCJHECSA-N -1 0 350.393 -0.567 20 0 FBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC000367198948 536764392 /nfs/dbraw/zinc/76/43/92/536764392.db2.gz HLOTUUCHJGGREM-SKDRFNHKSA-N -1 0 363.413 -0.047 20 0 FBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)C1 ZINC000367199164 536764678 /nfs/dbraw/zinc/76/46/78/536764678.db2.gz IIWOOLAZJUEFTG-RNCFNFMXSA-N -1 0 369.399 -0.260 20 0 FBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 ZINC000367200968 536764819 /nfs/dbraw/zinc/76/48/19/536764819.db2.gz QGTTZTICUYSROZ-MFKMUULPSA-N -1 0 354.384 -0.165 20 0 FBADRM O=C([O-])C1(NS(=O)(=O)c2cccc(-n3cnnn3)c2)CCOCC1 ZINC000367243023 245323120 /nfs/dbraw/zinc/32/31/20/245323120.db2.gz GVBREDLYCHKTFY-UHFFFAOYSA-N -1 0 353.360 -0.426 20 0 FBADRM Cn1c2ccc(S(=O)(=O)NC3(C(=O)[O-])CCOCC3)cc2n(C)c1=O ZINC000367245376 245323439 /nfs/dbraw/zinc/32/34/39/245323439.db2.gz WYDZLOFCDKOCBF-UHFFFAOYSA-N -1 0 369.399 -0.211 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000367250100 245324863 /nfs/dbraw/zinc/32/48/63/245324863.db2.gz FGPXNJMXKOQDJN-CYBMUJFWSA-N -1 0 363.413 -0.079 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000367250101 245323037 /nfs/dbraw/zinc/32/30/37/245323037.db2.gz FGPXNJMXKOQDJN-ZDUSSCGKSA-N -1 0 363.413 -0.079 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)cn1 ZINC000367251609 245323019 /nfs/dbraw/zinc/32/30/19/245323019.db2.gz ORGJMQGXSBELGP-LLVKDONJSA-N -1 0 350.374 -0.993 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)cn1 ZINC000367251610 245323541 /nfs/dbraw/zinc/32/35/41/245323541.db2.gz ORGJMQGXSBELGP-NSHDSACASA-N -1 0 350.374 -0.993 20 0 FBADRM O=C(CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000367300150 245325682 /nfs/dbraw/zinc/32/56/82/245325682.db2.gz LSVUYORCSBKMRU-CYBMUJFWSA-N -1 0 362.434 -0.230 20 0 FBADRM O=C(CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000367300151 245327154 /nfs/dbraw/zinc/32/71/54/245327154.db2.gz LSVUYORCSBKMRU-ZDUSSCGKSA-N -1 0 362.434 -0.230 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)[N-]CC(F)(F)F)C[C@H]1C(=O)N1CCOCC1 ZINC000367424492 245334522 /nfs/dbraw/zinc/33/45/22/245334522.db2.gz SNFVZGKSUSHBKL-NXEZZACHSA-N -1 0 359.370 -0.190 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@]1(N2CCOCC2)CCSC1 ZINC000367476679 245336111 /nfs/dbraw/zinc/33/61/11/245336111.db2.gz WSQPBJJTLGHOGY-CYBMUJFWSA-N -1 0 359.477 -0.074 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000367476680 245335267 /nfs/dbraw/zinc/33/52/67/245335267.db2.gz WSQPBJJTLGHOGY-ZDUSSCGKSA-N -1 0 359.477 -0.074 20 0 FBADRM COC(=O)c1cnc(S(=O)(=O)CC(=O)N2CCOC[C@@H]2C2CC2)[n-]1 ZINC000367506750 245339392 /nfs/dbraw/zinc/33/93/92/245339392.db2.gz ZPPSIJPREPUDBN-LLVKDONJSA-N -1 0 357.388 -0.393 20 0 FBADRM COC(=O)c1cnc(S(=O)(=O)CC(=O)N2CCOC[C@H]2C2CC2)[n-]1 ZINC000367506751 245339845 /nfs/dbraw/zinc/33/98/45/245339845.db2.gz ZPPSIJPREPUDBN-NSHDSACASA-N -1 0 357.388 -0.393 20 0 FBADRM CCNC(=O)CN1CCCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)CC1 ZINC000367541742 245341326 /nfs/dbraw/zinc/34/13/26/245341326.db2.gz JMWSEFWHNMMWJX-UHFFFAOYSA-N -1 0 360.418 -0.042 20 0 FBADRM NC(=O)CO[N-]C(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000367551264 245342909 /nfs/dbraw/zinc/34/29/09/245342909.db2.gz YVMWJEGDDNINLQ-JTQLQIEISA-N -1 0 352.372 -0.867 20 0 FBADRM NC(=O)CO[N-]C(=O)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000367551265 245343753 /nfs/dbraw/zinc/34/37/53/245343753.db2.gz YVMWJEGDDNINLQ-SNVBAGLBSA-N -1 0 352.372 -0.867 20 0 FBADRM NC(=O)CO[N-]C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000367570265 245341141 /nfs/dbraw/zinc/34/11/41/245341141.db2.gz ONCSMOOTQHJOCM-UHFFFAOYSA-N -1 0 358.148 -0.292 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cc(-c3ccncc3)[nH]n2)c(=O)n(C)c1=O ZINC000367571440 245340864 /nfs/dbraw/zinc/34/08/64/245340864.db2.gz WREGTMARECXKDK-UHFFFAOYSA-N -1 0 362.371 -0.330 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccn2)c(=O)n(C)c1=O ZINC000367595122 245343474 /nfs/dbraw/zinc/34/34/74/245343474.db2.gz VVJOVYDFRIYMTL-UHFFFAOYSA-N -1 0 362.371 -0.330 20 0 FBADRM CN1CCc2c(cccc2NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000367595671 245343016 /nfs/dbraw/zinc/34/30/16/245343016.db2.gz YCQCTKFVKQSPAB-UHFFFAOYSA-N -1 0 364.427 -0.127 20 0 FBADRM O=C([O-])NCC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000367600629 245346762 /nfs/dbraw/zinc/34/67/62/245346762.db2.gz YOZITBZCKIQMIH-UHFFFAOYSA-N -1 0 371.371 -0.786 20 0 FBADRM CCNC(=O)[C@H]1CN(CCS(=O)(=O)CC(=O)[O-])c2ccccc2O1 ZINC000367891365 535409379 /nfs/dbraw/zinc/40/93/79/535409379.db2.gz XSOUMLWTCNYAAN-CYBMUJFWSA-N -1 0 356.400 -0.111 20 0 FBADRM CCNC(=O)[C@@H]1CN(CCS(=O)(=O)CC(=O)[O-])c2ccccc2O1 ZINC000367891366 535394022 /nfs/dbraw/zinc/39/40/22/535394022.db2.gz XSOUMLWTCNYAAN-ZDUSSCGKSA-N -1 0 356.400 -0.111 20 0 FBADRM NC(=O)C[C@H]1CCN(C(=O)CNC(=O)c2cnc3ccccc3c2O)C1 ZINC000367938473 245358983 /nfs/dbraw/zinc/35/89/83/245358983.db2.gz LHUXCCXMJNORTD-LLVKDONJSA-N -1 0 356.382 -0.018 20 0 FBADRM NC(=O)C[C@@H]1CCN(C(=O)CNC(=O)c2cnc3ccccc3c2O)C1 ZINC000367938474 245358806 /nfs/dbraw/zinc/35/88/06/245358806.db2.gz LHUXCCXMJNORTD-NSHDSACASA-N -1 0 356.382 -0.018 20 0 FBADRM NC(=O)[C@@H]1COCCN1S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000368138143 245366881 /nfs/dbraw/zinc/36/68/81/245366881.db2.gz CUIJIWACPGVLGY-JTQLQIEISA-N -1 0 372.355 -0.969 20 0 FBADRM NC(=O)[C@H]1COCCN1S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000368138144 245365407 /nfs/dbraw/zinc/36/54/07/245365407.db2.gz CUIJIWACPGVLGY-SNVBAGLBSA-N -1 0 372.355 -0.969 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)C(=O)[O-])CC2)cc1 ZINC000368149454 245366087 /nfs/dbraw/zinc/36/60/87/245366087.db2.gz SODJHFLGWQJSCJ-UHFFFAOYSA-N -1 0 369.399 -0.001 20 0 FBADRM Cn1ccnc1-c1cc(NC(=O)CNS(=O)(=O)c2cccnc2)n[nH]1 ZINC000368153856 484076482 /nfs/dbraw/zinc/07/64/82/484076482.db2.gz WIYPRSFFYHKJLJ-UHFFFAOYSA-N -1 0 361.387 0.122 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N(C)C1(C(=O)[O-])CCOCC1 ZINC000368163754 245367034 /nfs/dbraw/zinc/36/70/34/245367034.db2.gz MRAKBSYPDHGJEJ-UHFFFAOYSA-N -1 0 354.425 -0.608 20 0 FBADRM CN(C1(C(=O)[O-])CCOCC1)S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000368165170 245365527 /nfs/dbraw/zinc/36/55/27/245365527.db2.gz QCQGDAVDYDODRA-UHFFFAOYSA-N -1 0 367.387 -0.083 20 0 FBADRM CN(C1(C(=O)[O-])CCOCC1)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000368171721 245369817 /nfs/dbraw/zinc/36/98/17/245369817.db2.gz UEEDFDKKWOAMMK-UHFFFAOYSA-N -1 0 364.420 -0.364 20 0 FBADRM NC(=O)[C@H]1CN(S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)CCO1 ZINC000368197519 245370421 /nfs/dbraw/zinc/37/04/21/245370421.db2.gz GJISSZISYQNUPS-LLVKDONJSA-N -1 0 372.355 -0.969 20 0 FBADRM NC(=O)[C@@H]1CN(S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)CCO1 ZINC000368197520 245368427 /nfs/dbraw/zinc/36/84/27/245368427.db2.gz GJISSZISYQNUPS-NSHDSACASA-N -1 0 372.355 -0.969 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)CC[C@H]1CCCCN1C(C)=O)C(=O)[O-] ZINC000368200147 245367924 /nfs/dbraw/zinc/36/79/24/245367924.db2.gz ILAGZSYXLJHFGA-NEPJUHHUSA-N -1 0 364.420 -0.287 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)CC[C@@H]1CCCCN1C(C)=O)C(=O)[O-] ZINC000368200148 245369192 /nfs/dbraw/zinc/36/91/92/245369192.db2.gz ILAGZSYXLJHFGA-RYUDHWBXSA-N -1 0 364.420 -0.287 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCO[C@@H](C(N)=O)C2)c(C)c1OCC(=O)[O-] ZINC000368202302 245368398 /nfs/dbraw/zinc/36/83/98/245368398.db2.gz TXLSIAUGHYIMQH-LLVKDONJSA-N -1 0 372.399 -0.358 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCO[C@H](C(N)=O)C2)c(C)c1OCC(=O)[O-] ZINC000368202304 245370324 /nfs/dbraw/zinc/37/03/24/245370324.db2.gz TXLSIAUGHYIMQH-NSHDSACASA-N -1 0 372.399 -0.358 20 0 FBADRM NC(=O)[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)CCO1 ZINC000368205483 245370335 /nfs/dbraw/zinc/37/03/35/245370335.db2.gz XNIFQCDMEKCROU-MRVPVSSYSA-N -1 0 350.299 -0.462 20 0 FBADRM NC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)CCO1 ZINC000368205484 245369631 /nfs/dbraw/zinc/36/96/31/245369631.db2.gz XNIFQCDMEKCROU-QMMMGPOBSA-N -1 0 350.299 -0.462 20 0 FBADRM Cn1cc([C@@H](NS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C(=O)[O-])cn1 ZINC000368378431 245376356 /nfs/dbraw/zinc/37/63/56/245376356.db2.gz ZUIQUNHSEVVFJV-CYBMUJFWSA-N -1 0 370.431 -0.134 20 0 FBADRM Cn1cc([C@H](NS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C(=O)[O-])cn1 ZINC000368378432 245375690 /nfs/dbraw/zinc/37/56/90/245375690.db2.gz ZUIQUNHSEVVFJV-ZDUSSCGKSA-N -1 0 370.431 -0.134 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N3CCOC[C@@H]3CC(=O)[O-])cc2n(C)c1=O ZINC000368409546 245377126 /nfs/dbraw/zinc/37/71/26/245377126.db2.gz FQJKUUZDFWYTNY-JTQLQIEISA-N -1 0 369.399 -0.259 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N3CCOC[C@H]3CC(=O)[O-])cc2n(C)c1=O ZINC000368409547 245379700 /nfs/dbraw/zinc/37/97/00/245379700.db2.gz FQJKUUZDFWYTNY-SNVBAGLBSA-N -1 0 369.399 -0.259 20 0 FBADRM O=C([O-])C[C@@H]1COCCN1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000368412801 245378521 /nfs/dbraw/zinc/37/85/21/245378521.db2.gz UBBARJUHUOXPCU-LLVKDONJSA-N -1 0 350.393 -0.754 20 0 FBADRM O=C([O-])C[C@H]1COCCN1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000368412802 245379797 /nfs/dbraw/zinc/37/97/97/245379797.db2.gz UBBARJUHUOXPCU-NSHDSACASA-N -1 0 350.393 -0.754 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])cn1 ZINC000368448508 245379878 /nfs/dbraw/zinc/37/98/78/245379878.db2.gz BHGDXDRJBJIKBP-SECBINFHSA-N -1 0 364.401 -0.651 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])cn1 ZINC000368448509 245379131 /nfs/dbraw/zinc/37/91/31/245379131.db2.gz BHGDXDRJBJIKBP-VIFPVBQESA-N -1 0 364.401 -0.651 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000368490018 245383468 /nfs/dbraw/zinc/38/34/68/245383468.db2.gz JIPQWJVYTZNFPL-HNNXBMFYSA-N -1 0 372.399 -0.415 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000368490019 245383142 /nfs/dbraw/zinc/38/31/42/245383142.db2.gz JIPQWJVYTZNFPL-OAHLLOKOSA-N -1 0 372.399 -0.415 20 0 FBADRM O=C(CN1CC(=O)NC1=O)N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000368503857 245383230 /nfs/dbraw/zinc/38/32/30/245383230.db2.gz RRTBYMIPQSUQOO-LLVKDONJSA-N -1 0 367.728 -0.250 20 0 FBADRM O=C(CN1CC(=O)NC1=O)N[C@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000368503858 245380809 /nfs/dbraw/zinc/38/08/09/245380809.db2.gz RRTBYMIPQSUQOO-NSHDSACASA-N -1 0 367.728 -0.250 20 0 FBADRM Cn1cnn(CC(=O)N[C@@H](c2nnn[n-]2)c2ccc(Cl)c(F)c2)c1=O ZINC000368504718 245382107 /nfs/dbraw/zinc/38/21/07/245382107.db2.gz WQLUAFDNNLXWAH-LLVKDONJSA-N -1 0 366.744 -0.207 20 0 FBADRM Cn1cnn(CC(=O)N[C@H](c2nnn[n-]2)c2ccc(Cl)c(F)c2)c1=O ZINC000368504726 245383281 /nfs/dbraw/zinc/38/32/81/245383281.db2.gz WQLUAFDNNLXWAH-NSHDSACASA-N -1 0 366.744 -0.207 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)cn1 ZINC000368518029 245383106 /nfs/dbraw/zinc/38/31/06/245383106.db2.gz KBGXKBLLBYZAII-UHFFFAOYSA-N -1 0 364.401 -0.603 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)cc1F ZINC000368519934 245381302 /nfs/dbraw/zinc/38/13/02/245381302.db2.gz RTTUDVILGAZSGT-GFCCVEGCSA-N -1 0 367.376 -0.249 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1F ZINC000368519938 245383055 /nfs/dbraw/zinc/38/30/55/245383055.db2.gz RTTUDVILGAZSGT-LBPRGKRZSA-N -1 0 367.376 -0.249 20 0 FBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000368536048 536764542 /nfs/dbraw/zinc/76/45/42/536764542.db2.gz CTCYKMRRTFTGKJ-PWSUYJOCSA-N -1 0 353.360 -0.475 20 0 FBADRM COc1ccc(C(=O)N2CCC[C@@H]2C(=O)[N-]OCC(N)=O)c(OC)c1 ZINC000368581567 483917251 /nfs/dbraw/zinc/91/72/51/483917251.db2.gz GZWRQJNDABFBLH-GFCCVEGCSA-N -1 0 351.359 -0.159 20 0 FBADRM COc1ccc(C(=O)N2CCC[C@H]2C(=O)[N-]OCC(N)=O)c(OC)c1 ZINC000368581568 483917465 /nfs/dbraw/zinc/91/74/65/483917465.db2.gz GZWRQJNDABFBLH-LBPRGKRZSA-N -1 0 351.359 -0.159 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]OCC(N)=O)(c2ccccc2)CC1 ZINC000368583690 483917701 /nfs/dbraw/zinc/91/77/01/483917701.db2.gz PMQSMTAFOJLLMI-UHFFFAOYSA-N -1 0 369.443 -0.097 20 0 FBADRM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000368620719 536827318 /nfs/dbraw/zinc/82/73/18/536827318.db2.gz CVIMKAJHGURIRD-LLVKDONJSA-N -1 0 369.399 -0.280 20 0 FBADRM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000368620720 536827279 /nfs/dbraw/zinc/82/72/79/536827279.db2.gz CVIMKAJHGURIRD-NSHDSACASA-N -1 0 369.399 -0.280 20 0 FBADRM CNS(=O)(=O)CC(=O)N[C@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000368634115 245387459 /nfs/dbraw/zinc/38/74/59/245387459.db2.gz NAYWNVVVXYAGPO-JTQLQIEISA-N -1 0 362.774 -0.253 20 0 FBADRM CNS(=O)(=O)CC(=O)N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000368634116 245388540 /nfs/dbraw/zinc/38/85/40/245388540.db2.gz NAYWNVVVXYAGPO-SNVBAGLBSA-N -1 0 362.774 -0.253 20 0 FBADRM CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000368639524 245388380 /nfs/dbraw/zinc/38/83/80/245388380.db2.gz VXEOJYCSIUKZSD-GFCCVEGCSA-N -1 0 363.436 -0.712 20 0 FBADRM CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000368639525 245387705 /nfs/dbraw/zinc/38/77/05/245387705.db2.gz VXEOJYCSIUKZSD-LBPRGKRZSA-N -1 0 363.436 -0.712 20 0 FBADRM C[C@@](CO)(CNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)CC(=O)[O-] ZINC000368701803 245390956 /nfs/dbraw/zinc/39/09/56/245390956.db2.gz MQCSCMNRWGKMKL-HNNXBMFYSA-N -1 0 362.448 -0.220 20 0 FBADRM C[C@](CO)(CNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)CC(=O)[O-] ZINC000368701804 245390876 /nfs/dbraw/zinc/39/08/76/245390876.db2.gz MQCSCMNRWGKMKL-OAHLLOKOSA-N -1 0 362.448 -0.220 20 0 FBADRM COCCn1cc(S(=O)(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)cn1 ZINC000368952301 245406234 /nfs/dbraw/zinc/40/62/34/245406234.db2.gz UXTNXMDLPDHGKM-UHFFFAOYSA-N -1 0 371.419 -0.023 20 0 FBADRM O=S(=O)([N-]CC(F)(F)F)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000369106835 483787789 /nfs/dbraw/zinc/78/77/89/483787789.db2.gz MEIHYNOVXWOEFC-SECBINFHSA-N -1 0 365.399 -0.117 20 0 FBADRM O=S(=O)([N-]CC(F)(F)F)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000369106836 483787930 /nfs/dbraw/zinc/78/79/30/483787930.db2.gz MEIHYNOVXWOEFC-VIFPVBQESA-N -1 0 365.399 -0.117 20 0 FBADRM O=S(=O)(NC1CCCC1)C1CN(S(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000369113407 483934557 /nfs/dbraw/zinc/93/45/57/483934557.db2.gz RPAAXAZVXRUNSS-UHFFFAOYSA-N -1 0 365.399 -0.071 20 0 FBADRM CCN1CCO[C@H](CN2CCN(Cc3cc(=O)n4[n-]ccc4n3)CC2)C1 ZINC000369124287 483933828 /nfs/dbraw/zinc/93/38/28/483933828.db2.gz ASLADXWGMJZSHL-INIZCTEOSA-N -1 0 360.462 -0.139 20 0 FBADRM CCN1CCO[C@@H](CN2CCN(Cc3cc(=O)n4[n-]ccc4n3)CC2)C1 ZINC000369124288 483934663 /nfs/dbraw/zinc/93/46/63/483934663.db2.gz ASLADXWGMJZSHL-MRXNPFEDSA-N -1 0 360.462 -0.139 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)NCc1cccc(-n2ccc(C(=O)[O-])n2)c1 ZINC000369151216 483935792 /nfs/dbraw/zinc/93/57/92/483935792.db2.gz BOJKASGINVKSCU-UHFFFAOYSA-N -1 0 373.369 -0.561 20 0 FBADRM Cn1c(=O)ccn(CC(=O)N2CCC(c3n[n-]c(=S)o3)CC2)c1=O ZINC000369171393 483937539 /nfs/dbraw/zinc/93/75/39/483937539.db2.gz IQTMYMWTYDTPIF-UHFFFAOYSA-N -1 0 351.388 -0.375 20 0 FBADRM O=C([C@H]1CCCN(S(=O)(=O)[N-]CC(F)(F)F)C1)N1CCOCC1 ZINC000369187461 483938615 /nfs/dbraw/zinc/93/86/15/483938615.db2.gz IHDOVTCUHUGRBM-JTQLQIEISA-N -1 0 359.370 -0.046 20 0 FBADRM O=C([C@@H]1CCCN(S(=O)(=O)[N-]CC(F)(F)F)C1)N1CCOCC1 ZINC000369187462 483937895 /nfs/dbraw/zinc/93/78/95/483937895.db2.gz IHDOVTCUHUGRBM-SNVBAGLBSA-N -1 0 359.370 -0.046 20 0 FBADRM CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000369213661 483940817 /nfs/dbraw/zinc/94/08/17/483940817.db2.gz HDVGBOOMXHAQNY-ZDUSSCGKSA-N -1 0 353.400 -0.454 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CC(=O)N(c2ccccn2)C1 ZINC000369216140 483941200 /nfs/dbraw/zinc/94/12/00/483941200.db2.gz UAQCPOCNZBBTSU-JTQLQIEISA-N -1 0 354.388 -0.983 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CC(=O)N(c2ccccn2)C1 ZINC000369216141 483939469 /nfs/dbraw/zinc/93/94/69/483939469.db2.gz UAQCPOCNZBBTSU-SNVBAGLBSA-N -1 0 354.388 -0.983 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CCCN(c2ccccn2)C1 ZINC000369216668 483939645 /nfs/dbraw/zinc/93/96/45/483939645.db2.gz WIXOFHLEIWIEAD-GFCCVEGCSA-N -1 0 354.432 -0.120 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CCCN(c2ccccn2)C1 ZINC000369216672 483939456 /nfs/dbraw/zinc/93/94/56/483939456.db2.gz WIXOFHLEIWIEAD-LBPRGKRZSA-N -1 0 354.432 -0.120 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N2CCC(c3n[n-]c(=S)o3)CC2)C1=O ZINC000369310264 483893017 /nfs/dbraw/zinc/89/30/17/483893017.db2.gz NJIMUDJBQKFWGD-UHFFFAOYSA-N -1 0 353.360 -0.515 20 0 FBADRM CCn1ccnc1CN1CCCN(C(=O)Cn2[n-]c(=O)ccc2=O)CC1 ZINC000369341327 483952576 /nfs/dbraw/zinc/95/25/76/483952576.db2.gz DEJJPVUYMKWLSZ-UHFFFAOYSA-N -1 0 360.418 -0.100 20 0 FBADRM Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000369434925 483959487 /nfs/dbraw/zinc/95/94/87/483959487.db2.gz IYXUIZQRQPAVDW-KBPBESRZSA-N -1 0 369.389 -0.121 20 0 FBADRM Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000369434926 483959367 /nfs/dbraw/zinc/95/93/67/483959367.db2.gz IYXUIZQRQPAVDW-KGLIPLIRSA-N -1 0 369.389 -0.121 20 0 FBADRM Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000369434927 483959168 /nfs/dbraw/zinc/95/91/68/483959168.db2.gz IYXUIZQRQPAVDW-UONOGXRCSA-N -1 0 369.389 -0.121 20 0 FBADRM Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000369434928 483959840 /nfs/dbraw/zinc/95/98/40/483959840.db2.gz IYXUIZQRQPAVDW-ZIAGYGMSSA-N -1 0 369.389 -0.121 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 ZINC000369492847 483963953 /nfs/dbraw/zinc/96/39/53/483963953.db2.gz WYBRMXKVNJPUJO-VIFPVBQESA-N -1 0 362.312 -0.537 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C1 ZINC000369547960 483968490 /nfs/dbraw/zinc/96/84/90/483968490.db2.gz UELLRYLWJJNNMT-SLEUVZQESA-N -1 0 360.432 -0.392 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C1 ZINC000369547963 483967541 /nfs/dbraw/zinc/96/75/41/483967541.db2.gz UELLRYLWJJNNMT-TYNCELHUSA-N -1 0 360.432 -0.392 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000369722723 483978208 /nfs/dbraw/zinc/97/82/08/483978208.db2.gz NAKUKOSHVQMYGB-UHFFFAOYSA-N -1 0 359.370 -0.063 20 0 FBADRM CC1CCC(N2C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)CC2=O)CC1 ZINC000369781927 483980920 /nfs/dbraw/zinc/98/09/20/483980920.db2.gz AYVFCFLNYVGLKC-CPCZMJQVSA-N -1 0 373.475 -0.004 20 0 FBADRM CC1CCC(N2C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)CC2=O)CC1 ZINC000369781928 245456277 /nfs/dbraw/zinc/45/62/77/245456277.db2.gz AYVFCFLNYVGLKC-OTTFEQOBSA-N -1 0 373.475 -0.004 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC2(C(=O)[O-])COC2)c1 ZINC000369958466 483992463 /nfs/dbraw/zinc/99/24/63/483992463.db2.gz GKBPVUQCSVZMCZ-UHFFFAOYSA-N -1 0 364.401 -0.931 20 0 FBADRM O=C([O-])C1(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)COC1 ZINC000369965163 483992943 /nfs/dbraw/zinc/99/29/43/483992943.db2.gz WKDGIOMZQIPDQI-UHFFFAOYSA-N -1 0 368.367 -0.554 20 0 FBADRM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NC3(C(=O)[O-])COC3)ccc2O1 ZINC000369965191 483993169 /nfs/dbraw/zinc/99/31/69/483993169.db2.gz WQLQXEMCFVLPGY-GFCCVEGCSA-N -1 0 371.367 -0.315 20 0 FBADRM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NC3(C(=O)[O-])COC3)ccc2O1 ZINC000369965192 483993336 /nfs/dbraw/zinc/99/33/36/483993336.db2.gz WQLQXEMCFVLPGY-LBPRGKRZSA-N -1 0 371.367 -0.315 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H]3CCOC3)CC2)cn1 ZINC000369975953 483992043 /nfs/dbraw/zinc/99/20/43/483992043.db2.gz UPMPXCKDEGDCHM-CYBMUJFWSA-N -1 0 354.432 -0.464 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H]3CCOC3)CC2)cn1 ZINC000369975954 483992087 /nfs/dbraw/zinc/99/20/87/483992087.db2.gz UPMPXCKDEGDCHM-ZDUSSCGKSA-N -1 0 354.432 -0.464 20 0 FBADRM C[C@@]1(C(N)=O)CCCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000369989112 483992702 /nfs/dbraw/zinc/99/27/02/483992702.db2.gz XTDZDMRHSFVZDQ-AWEZNQCLSA-N -1 0 367.387 -0.145 20 0 FBADRM C[C@]1(C(N)=O)CCCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000369989113 483993092 /nfs/dbraw/zinc/99/30/92/483993092.db2.gz XTDZDMRHSFVZDQ-CQSZACIVSA-N -1 0 367.387 -0.145 20 0 FBADRM NC(=O)[C@]1(NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CCCOC1 ZINC000370149909 484001294 /nfs/dbraw/zinc/00/12/94/484001294.db2.gz IYGQLXPYXUJTAB-INIZCTEOSA-N -1 0 362.411 -0.164 20 0 FBADRM NC(=O)[C@@]1(NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CCCOC1 ZINC000370149910 484002131 /nfs/dbraw/zinc/00/21/31/484002131.db2.gz IYGQLXPYXUJTAB-MRXNPFEDSA-N -1 0 362.411 -0.164 20 0 FBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000370195815 245478612 /nfs/dbraw/zinc/47/86/12/245478612.db2.gz XKPWUSNSOMALHC-QJPTWQEYSA-N -1 0 360.432 -0.266 20 0 FBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000370195816 245479168 /nfs/dbraw/zinc/47/91/68/245479168.db2.gz XKPWUSNSOMALHC-SDDRHHMPSA-N -1 0 360.432 -0.266 20 0 FBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000370195817 484002887 /nfs/dbraw/zinc/00/28/87/484002887.db2.gz XKPWUSNSOMALHC-SRVKXCTJSA-N -1 0 360.432 -0.266 20 0 FBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000370195818 484004271 /nfs/dbraw/zinc/00/42/71/484004271.db2.gz XKPWUSNSOMALHC-TUAOUCFPSA-N -1 0 360.432 -0.266 20 0 FBADRM CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cnc([O-])n(C)c3=O)C2)CC1 ZINC000370219169 484005865 /nfs/dbraw/zinc/00/58/65/484005865.db2.gz KROHGKZAYKHPHH-GFCCVEGCSA-N -1 0 363.418 -0.888 20 0 FBADRM CN1CCN(C(=O)[C@H]2CCCN(C(=O)c3cnc([O-])n(C)c3=O)C2)CC1 ZINC000370219170 484005459 /nfs/dbraw/zinc/00/54/59/484005459.db2.gz KROHGKZAYKHPHH-LBPRGKRZSA-N -1 0 363.418 -0.888 20 0 FBADRM NC(=O)C1(NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CCOCC1 ZINC000370224081 484005631 /nfs/dbraw/zinc/00/56/31/484005631.db2.gz GVEXLNBIRLQIHD-UHFFFAOYSA-N -1 0 362.411 -0.164 20 0 FBADRM CN(C(=O)c1cnc([O-])n(C)c1=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000370303944 484014750 /nfs/dbraw/zinc/01/47/50/484014750.db2.gz VWPAYSKGLFQBMT-CYBMUJFWSA-N -1 0 370.365 -0.114 20 0 FBADRM CN(C(=O)c1cnc([O-])n(C)c1=O)[C@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000370303945 245488053 /nfs/dbraw/zinc/48/80/53/245488053.db2.gz VWPAYSKGLFQBMT-ZDUSSCGKSA-N -1 0 370.365 -0.114 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000370304983 484014415 /nfs/dbraw/zinc/01/44/15/484014415.db2.gz DTVYCPOUFLFYMJ-CYBMUJFWSA-N -1 0 367.427 -0.127 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000370304984 484015749 /nfs/dbraw/zinc/01/57/49/484015749.db2.gz DTVYCPOUFLFYMJ-ZDUSSCGKSA-N -1 0 367.427 -0.127 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1)OCC(=O)N2 ZINC000370313011 484015559 /nfs/dbraw/zinc/01/55/59/484015559.db2.gz FWEOYNKJQKZXHB-AWEZNQCLSA-N -1 0 372.355 -0.452 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1)OCC(=O)N2 ZINC000370313012 245487954 /nfs/dbraw/zinc/48/79/54/245487954.db2.gz FWEOYNKJQKZXHB-CQSZACIVSA-N -1 0 372.355 -0.452 20 0 FBADRM Cn1cc(N2CCN(C(=O)c3cnc4c(cnn4C)c3O)CC2=O)cn1 ZINC000370359552 484019273 /nfs/dbraw/zinc/01/92/73/484019273.db2.gz VELAPYKJYLOTMC-UHFFFAOYSA-N -1 0 355.358 -0.104 20 0 FBADRM O=C([O-])[C@H](CO)NS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 ZINC000370420010 484025514 /nfs/dbraw/zinc/02/55/14/484025514.db2.gz CLHZGQLBLGFINJ-NSHDSACASA-N -1 0 362.791 -0.471 20 0 FBADRM COC(=O)c1cc(OC)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])s1 ZINC000370420028 484025935 /nfs/dbraw/zinc/02/59/35/484025935.db2.gz CVNBAYKGZWJPEQ-BQBZGAKWSA-N -1 0 365.385 -0.248 20 0 FBADRM COC(=O)c1cc(OC)c(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])s1 ZINC000370420029 484024958 /nfs/dbraw/zinc/02/49/58/484024958.db2.gz CVNBAYKGZWJPEQ-NKWVEPMBSA-N -1 0 365.385 -0.248 20 0 FBADRM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)C1 ZINC000370427722 245495298 /nfs/dbraw/zinc/49/52/98/245495298.db2.gz IIWOOLAZJUEFTG-NOZJJQNGSA-N -1 0 369.399 -0.260 20 0 FBADRM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)C1 ZINC000370427723 484025799 /nfs/dbraw/zinc/02/57/99/484025799.db2.gz IIWOOLAZJUEFTG-TVQRCGJNSA-N -1 0 369.399 -0.260 20 0 FBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)C1 ZINC000370427724 484026040 /nfs/dbraw/zinc/02/60/40/484026040.db2.gz IIWOOLAZJUEFTG-ZANVPECISA-N -1 0 369.399 -0.260 20 0 FBADRM COC(=O)c1c(F)ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1F ZINC000370428663 245495590 /nfs/dbraw/zinc/49/55/90/245495590.db2.gz RJIGNZNVTFQFNK-HTRCEHHLSA-N -1 0 365.310 -0.040 20 0 FBADRM COC(=O)c1c(F)ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])c1F ZINC000370428664 484025658 /nfs/dbraw/zinc/02/56/58/484025658.db2.gz RJIGNZNVTFQFNK-POYBYMJQSA-N -1 0 365.310 -0.040 20 0 FBADRM COC(=O)c1c(F)ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1F ZINC000370428665 245495653 /nfs/dbraw/zinc/49/56/53/245495653.db2.gz RJIGNZNVTFQFNK-SVRRBLITSA-N -1 0 365.310 -0.040 20 0 FBADRM COC(=O)c1c(F)ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])c1F ZINC000370428666 484024738 /nfs/dbraw/zinc/02/47/38/484024738.db2.gz RJIGNZNVTFQFNK-XPUUQOCRSA-N -1 0 365.310 -0.040 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])cc2C1=O ZINC000370429405 484025761 /nfs/dbraw/zinc/02/57/61/484025761.db2.gz AAUASJUSILDJBK-CPCISQLKSA-N -1 0 354.340 -0.879 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)N3C[C@@H](O)C[C@@H]3C(=O)[O-])cc2C1=O ZINC000370429406 484025475 /nfs/dbraw/zinc/02/54/75/484025475.db2.gz AAUASJUSILDJBK-WRWORJQWSA-N -1 0 354.340 -0.879 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2C[C@H](OC)C[C@@H]2C(=O)[O-])CC1 ZINC000370429822 484026047 /nfs/dbraw/zinc/02/60/47/484026047.db2.gz FCBDZNVMCATWFJ-GHMZBOCLSA-N -1 0 365.408 -0.821 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])CC1 ZINC000370429823 484025705 /nfs/dbraw/zinc/02/57/05/484025705.db2.gz FCBDZNVMCATWFJ-QWRGUYRKSA-N -1 0 365.408 -0.821 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2C[C@@H](OC)C[C@@H]2C(=O)[O-])CC1 ZINC000370429824 484024912 /nfs/dbraw/zinc/02/49/12/484024912.db2.gz FCBDZNVMCATWFJ-WDEREUQCSA-N -1 0 365.408 -0.821 20 0 FBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C1 ZINC000370429937 484026056 /nfs/dbraw/zinc/02/60/56/484026056.db2.gz GBKFYJRJFOSXRM-CPCISQLKSA-N -1 0 369.355 -0.096 20 0 FBADRM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C1 ZINC000370429938 484024906 /nfs/dbraw/zinc/02/49/06/484024906.db2.gz GBKFYJRJFOSXRM-RDDDGLTNSA-N -1 0 369.355 -0.096 20 0 FBADRM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C1 ZINC000370429939 484025172 /nfs/dbraw/zinc/02/51/72/484025172.db2.gz GBKFYJRJFOSXRM-WRWORJQWSA-N -1 0 369.355 -0.096 20 0 FBADRM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000370430934 484025530 /nfs/dbraw/zinc/02/55/30/484025530.db2.gz PSFSGRJZNINVEW-GHMZBOCLSA-N -1 0 350.393 -0.756 20 0 FBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000370430935 484025926 /nfs/dbraw/zinc/02/59/26/484025926.db2.gz PSFSGRJZNINVEW-MNOVXSKESA-N -1 0 350.393 -0.756 20 0 FBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000370430936 484026058 /nfs/dbraw/zinc/02/60/58/484026058.db2.gz PSFSGRJZNINVEW-QWRGUYRKSA-N -1 0 350.393 -0.756 20 0 FBADRM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000370430937 484025320 /nfs/dbraw/zinc/02/53/20/484025320.db2.gz PSFSGRJZNINVEW-WDEREUQCSA-N -1 0 350.393 -0.756 20 0 FBADRM CNC(=O)CN1CCCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)CC1 ZINC000370497137 484031439 /nfs/dbraw/zinc/03/14/39/484031439.db2.gz AQGOXHMUSYWFCY-LBPRGKRZSA-N -1 0 366.384 -0.030 20 0 FBADRM O=C1NCCCC[C@@H]1N1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000370536787 484030972 /nfs/dbraw/zinc/03/09/72/484030972.db2.gz WZYMSQREFNVBIE-JTQLQIEISA-N -1 0 358.386 -0.331 20 0 FBADRM O=C1NCCCC[C@H]1N1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000370536788 245501680 /nfs/dbraw/zinc/50/16/80/245501680.db2.gz WZYMSQREFNVBIE-SNVBAGLBSA-N -1 0 358.386 -0.331 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000370542852 484030471 /nfs/dbraw/zinc/03/04/71/484030471.db2.gz CVLRDXSRHAIZFX-ZDUSSCGKSA-N -1 0 370.431 -0.274 20 0 FBADRM NC(=O)c1cccc(S(=O)(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])c1 ZINC000370563846 484035049 /nfs/dbraw/zinc/03/50/49/484035049.db2.gz OURPQPCYDJAXKD-GFCCVEGCSA-N -1 0 350.356 -0.291 20 0 FBADRM NC(=O)c1cccc(S(=O)(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)[O-])c1 ZINC000370563847 484034971 /nfs/dbraw/zinc/03/49/71/484034971.db2.gz OURPQPCYDJAXKD-LBPRGKRZSA-N -1 0 350.356 -0.291 20 0 FBADRM Cn1cc(C(=O)NCC(=O)N[C@@H]2CCOc3ccccc32)c(=O)[nH]c1=O ZINC000370589877 484034441 /nfs/dbraw/zinc/03/44/41/484034441.db2.gz TVMSLQQQCDRSNR-GFCCVEGCSA-N -1 0 358.354 -0.144 20 0 FBADRM Cn1cc(C(=O)NCC(=O)N[C@H]2CCOc3ccccc32)c(=O)[nH]c1=O ZINC000370589878 484035372 /nfs/dbraw/zinc/03/53/72/484035372.db2.gz TVMSLQQQCDRSNR-LBPRGKRZSA-N -1 0 358.354 -0.144 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCC(COC)(C(=O)[O-])CC1 ZINC000370607157 483475659 /nfs/dbraw/zinc/47/56/59/483475659.db2.gz UMZWOHUINKCEAX-UHFFFAOYSA-N -1 0 368.452 -0.361 20 0 FBADRM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)C1 ZINC000370607245 245503865 /nfs/dbraw/zinc/50/38/65/245503865.db2.gz VHJNCENBSHMKME-PSASIEDQSA-N -1 0 364.401 -0.652 20 0 FBADRM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)C1 ZINC000370607246 245503483 /nfs/dbraw/zinc/50/34/83/245503483.db2.gz VHJNCENBSHMKME-WCBMZHEXSA-N -1 0 364.401 -0.652 20 0 FBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)C1 ZINC000370607247 483475355 /nfs/dbraw/zinc/47/53/55/483475355.db2.gz VHJNCENBSHMKME-WPRPVWTQSA-N -1 0 364.401 -0.652 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC(COC)(C(=O)[O-])CC1 ZINC000370607395 483475593 /nfs/dbraw/zinc/47/55/93/483475593.db2.gz WKGYRGSBMRBHQP-UHFFFAOYSA-N -1 0 372.465 -0.931 20 0 FBADRM COCC1(C(=O)[O-])CCN(S(=O)(=O)N(C)CCC(=O)OC)CC1 ZINC000370607833 483474955 /nfs/dbraw/zinc/47/49/55/483474955.db2.gz ZHZLXHYFKNCRGT-UHFFFAOYSA-N -1 0 352.409 -0.461 20 0 FBADRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCCN(CC(N)=O)CC2)c1 ZINC000370641821 484039196 /nfs/dbraw/zinc/03/91/96/484039196.db2.gz GQHMHMIUEALNMG-UHFFFAOYSA-N -1 0 368.459 0.000 20 0 FBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCO[C@@H](c3nnn[n-]3)C1)C2=O ZINC000370848638 483845925 /nfs/dbraw/zinc/84/59/25/483845925.db2.gz AUXDAFAHJPKFNB-GFCCVEGCSA-N -1 0 356.342 -0.296 20 0 FBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCO[C@H](c3nnn[n-]3)C1)C2=O ZINC000370848639 483846055 /nfs/dbraw/zinc/84/60/55/483846055.db2.gz AUXDAFAHJPKFNB-LBPRGKRZSA-N -1 0 356.342 -0.296 20 0 FBADRM CCOc1ccc(C(=O)NCC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1 ZINC000370854934 483846438 /nfs/dbraw/zinc/84/64/38/483846438.db2.gz GZLVVYKVLMICFM-CYBMUJFWSA-N -1 0 360.374 -0.072 20 0 FBADRM CCOc1ccc(C(=O)NCC(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1 ZINC000370854935 483846341 /nfs/dbraw/zinc/84/63/41/483846341.db2.gz GZLVVYKVLMICFM-ZDUSSCGKSA-N -1 0 360.374 -0.072 20 0 FBADRM C[C@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000370855302 483846486 /nfs/dbraw/zinc/84/64/86/483846486.db2.gz JAGJLWCYMKASJQ-KKOKHZNYSA-N -1 0 362.390 -0.337 20 0 FBADRM C[C@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000370855303 483846563 /nfs/dbraw/zinc/84/65/63/483846563.db2.gz JAGJLWCYMKASJQ-RHYQMDGZSA-N -1 0 362.390 -0.337 20 0 FBADRM C[C@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000370855304 483846605 /nfs/dbraw/zinc/84/66/05/483846605.db2.gz JAGJLWCYMKASJQ-WISYIIOYSA-N -1 0 362.390 -0.337 20 0 FBADRM C[C@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000370855305 483846600 /nfs/dbraw/zinc/84/66/00/483846600.db2.gz JAGJLWCYMKASJQ-WYUUTHIRSA-N -1 0 362.390 -0.337 20 0 FBADRM CC1CCC(NS(=O)(=O)CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CC1 ZINC000370856689 483846479 /nfs/dbraw/zinc/84/64/79/483846479.db2.gz LVBIAORBVKOPOK-HTAVTVPLSA-N -1 0 372.451 -0.402 20 0 FBADRM CC1CCC(NS(=O)(=O)CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)CC1 ZINC000370856690 483846369 /nfs/dbraw/zinc/84/63/69/483846369.db2.gz LVBIAORBVKOPOK-MCIGGMRASA-N -1 0 372.451 -0.402 20 0 FBADRM O=C(CCN1C(=O)COc2ccccc21)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000370860764 483847462 /nfs/dbraw/zinc/84/74/62/483847462.db2.gz LFNHIULDUAWSOZ-CYBMUJFWSA-N -1 0 358.358 -0.085 20 0 FBADRM O=C(CCN1C(=O)COc2ccccc21)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000370860765 483847267 /nfs/dbraw/zinc/84/72/67/483847267.db2.gz LFNHIULDUAWSOZ-ZDUSSCGKSA-N -1 0 358.358 -0.085 20 0 FBADRM Cc1ccc(-c2nnn(CC(=O)N3CCO[C@@H](c4nnn[n-]4)C3)n2)cc1 ZINC000370864066 483847753 /nfs/dbraw/zinc/84/77/53/483847753.db2.gz ZMFLYYKMPQVTSA-GFCCVEGCSA-N -1 0 355.362 -0.238 20 0 FBADRM Cc1ccc(-c2nnn(CC(=O)N3CCO[C@H](c4nnn[n-]4)C3)n2)cc1 ZINC000370864067 483847999 /nfs/dbraw/zinc/84/79/99/483847999.db2.gz ZMFLYYKMPQVTSA-LBPRGKRZSA-N -1 0 355.362 -0.238 20 0 FBADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000370866548 483848005 /nfs/dbraw/zinc/84/80/05/483848005.db2.gz GAVBUPCIFWAXHD-JTQLQIEISA-N -1 0 363.378 -0.646 20 0 FBADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000370866549 483847940 /nfs/dbraw/zinc/84/79/40/483847940.db2.gz GAVBUPCIFWAXHD-SNVBAGLBSA-N -1 0 363.378 -0.646 20 0 FBADRM O=C([C@H]1COCC(=O)N1Cc1ccccc1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000370867825 483848475 /nfs/dbraw/zinc/84/84/75/483848475.db2.gz LREXLRPUWDQKBW-KGLIPLIRSA-N -1 0 372.385 -0.473 20 0 FBADRM O=C([C@H]1COCC(=O)N1Cc1ccccc1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000370867826 483848429 /nfs/dbraw/zinc/84/84/29/483848429.db2.gz LREXLRPUWDQKBW-ZIAGYGMSSA-N -1 0 372.385 -0.473 20 0 FBADRM O=C(CCNS(=O)(=O)c1ccccc1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000370870457 483849189 /nfs/dbraw/zinc/84/91/89/483849189.db2.gz MCJLSTSLLNEWOK-GFCCVEGCSA-N -1 0 366.403 -0.532 20 0 FBADRM O=C(CCNS(=O)(=O)c1ccccc1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000370870458 483849489 /nfs/dbraw/zinc/84/94/89/483849489.db2.gz MCJLSTSLLNEWOK-LBPRGKRZSA-N -1 0 366.403 -0.532 20 0 FBADRM O=C(CNC(=O)c1cc(F)cc(F)c1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000370894356 483856360 /nfs/dbraw/zinc/85/63/60/483856360.db2.gz ZVGDJAKNGNQUTC-LLVKDONJSA-N -1 0 352.301 -0.192 20 0 FBADRM O=C(CNC(=O)c1cc(F)cc(F)c1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000370894357 483856271 /nfs/dbraw/zinc/85/62/71/483856271.db2.gz ZVGDJAKNGNQUTC-NSHDSACASA-N -1 0 352.301 -0.192 20 0 FBADRM O=C(Cn1[n-]c(=O)ccc1=O)NCc1nnc2n1C[C@H](C(F)(F)F)CC2 ZINC000370939868 483864955 /nfs/dbraw/zinc/86/49/55/483864955.db2.gz SGHIOICKHZNGKT-MRVPVSSYSA-N -1 0 372.307 -0.019 20 0 FBADRM O=C(Cn1[n-]c(=O)ccc1=O)NCc1nnc2n1C[C@@H](C(F)(F)F)CC2 ZINC000370939869 483864696 /nfs/dbraw/zinc/86/46/96/483864696.db2.gz SGHIOICKHZNGKT-QMMMGPOBSA-N -1 0 372.307 -0.019 20 0 FBADRM Cn1nc2n(c1=O)CCN(C(=O)c1cc(F)ccc1[N-]S(C)(=O)=O)C2 ZINC000371257916 484063463 /nfs/dbraw/zinc/06/34/63/484063463.db2.gz JFSDGQPVLRFHJK-UHFFFAOYSA-N -1 0 369.378 -0.252 20 0 FBADRM O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000371286956 484066940 /nfs/dbraw/zinc/06/69/40/484066940.db2.gz JMSPHHZNGBGCPH-JTQLQIEISA-N -1 0 363.403 -0.597 20 0 FBADRM O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000371286957 484067622 /nfs/dbraw/zinc/06/76/22/484067622.db2.gz JMSPHHZNGBGCPH-SNVBAGLBSA-N -1 0 363.403 -0.597 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CCc3[nH]cnc3C2)cn1C ZINC000371308037 484069348 /nfs/dbraw/zinc/06/93/48/484069348.db2.gz KJHGARSREQLXNL-LLVKDONJSA-N -1 0 366.447 -0.206 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CCc3[nH]cnc3C2)cn1C ZINC000371308038 484069236 /nfs/dbraw/zinc/06/92/36/484069236.db2.gz KJHGARSREQLXNL-NSHDSACASA-N -1 0 366.447 -0.206 20 0 FBADRM O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])N1C[C@@H](O)C[C@@H]1CO ZINC000371527099 484083599 /nfs/dbraw/zinc/08/35/99/484083599.db2.gz VATXNMPUIACCMQ-NEPJUHHUSA-N -1 0 370.427 -0.256 20 0 FBADRM O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])N1C[C@H](O)C[C@H]1CO ZINC000371527102 484082274 /nfs/dbraw/zinc/08/22/74/484082274.db2.gz VATXNMPUIACCMQ-NWDGAFQWSA-N -1 0 370.427 -0.256 20 0 FBADRM O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])N1C[C@H](O)C[C@@H]1CO ZINC000371527104 484083372 /nfs/dbraw/zinc/08/33/72/484083372.db2.gz VATXNMPUIACCMQ-VXGBXAGGSA-N -1 0 370.427 -0.256 20 0 FBADRM CCc1nc(CN2CCC[C@@H](NC(=O)Cn3[n-]c(=O)ccc3=O)C2)no1 ZINC000371626455 484093950 /nfs/dbraw/zinc/09/39/50/484093950.db2.gz AKDDKCVBCIHODY-LLVKDONJSA-N -1 0 362.390 -0.325 20 0 FBADRM CCc1nc(CN2CCC[C@H](NC(=O)Cn3[n-]c(=O)ccc3=O)C2)no1 ZINC000371626456 484094448 /nfs/dbraw/zinc/09/44/48/484094448.db2.gz AKDDKCVBCIHODY-NSHDSACASA-N -1 0 362.390 -0.325 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)Cn2[n-]c(=O)ccc2=O)C1 ZINC000371628425 484093930 /nfs/dbraw/zinc/09/39/30/484093930.db2.gz QOAHYCSSLLQHOU-LLVKDONJSA-N -1 0 357.370 -0.557 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@H](NC(=O)Cn2[n-]c(=O)ccc2=O)C1 ZINC000371628426 484093683 /nfs/dbraw/zinc/09/36/83/484093683.db2.gz QOAHYCSSLLQHOU-NSHDSACASA-N -1 0 357.370 -0.557 20 0 FBADRM CC(=O)NCCN(C(=O)[C@@H]1CN(C(=O)C(C)(C)C)CCO1)[C@@H](C)C(=O)[O-] ZINC000371648930 484097893 /nfs/dbraw/zinc/09/78/93/484097893.db2.gz CXOUAYFDHPGMJB-AAEUAGOBSA-N -1 0 371.434 -0.302 20 0 FBADRM CC(=O)NCCN(C(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1)[C@H](C)C(=O)[O-] ZINC000371648931 484097384 /nfs/dbraw/zinc/09/73/84/484097384.db2.gz CXOUAYFDHPGMJB-DGCLKSJQSA-N -1 0 371.434 -0.302 20 0 FBADRM CC(=O)NCCN(C(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1)[C@@H](C)C(=O)[O-] ZINC000371648932 484097924 /nfs/dbraw/zinc/09/79/24/484097924.db2.gz CXOUAYFDHPGMJB-WCQYABFASA-N -1 0 371.434 -0.302 20 0 FBADRM CC(=O)NCCN(C(=O)[C@@H]1CN(C(=O)C(C)(C)C)CCO1)[C@H](C)C(=O)[O-] ZINC000371648933 484097501 /nfs/dbraw/zinc/09/75/01/484097501.db2.gz CXOUAYFDHPGMJB-YPMHNXCESA-N -1 0 371.434 -0.302 20 0 FBADRM CC(=O)NCCN(C(=O)Cn1nc2n(c1=O)CCCCC2)[C@H](C)C(=O)[O-] ZINC000371649331 484098069 /nfs/dbraw/zinc/09/80/69/484098069.db2.gz GCABSNMHBGIZTM-LLVKDONJSA-N -1 0 367.406 -0.791 20 0 FBADRM CC(=O)NCCN(C(=O)Cn1nc2n(c1=O)CCCCC2)[C@@H](C)C(=O)[O-] ZINC000371649332 484097842 /nfs/dbraw/zinc/09/78/42/484097842.db2.gz GCABSNMHBGIZTM-NSHDSACASA-N -1 0 367.406 -0.791 20 0 FBADRM CC(=O)NCCN(C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)[C@@H](C)C(=O)[O-] ZINC000371655696 597695071 /nfs/dbraw/zinc/69/50/71/597695071.db2.gz MZGHCAHUKLPBRZ-GXSJLCMTSA-N -1 0 351.363 -0.800 20 0 FBADRM CC(=O)NCCN(C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)[C@H](C)C(=O)[O-] ZINC000371655697 597695052 /nfs/dbraw/zinc/69/50/52/597695052.db2.gz MZGHCAHUKLPBRZ-KOLCDFICSA-N -1 0 351.363 -0.800 20 0 FBADRM CC(=O)NCCN(C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)[C@H](C)C(=O)[O-] ZINC000371655698 597695037 /nfs/dbraw/zinc/69/50/37/597695037.db2.gz MZGHCAHUKLPBRZ-MWLCHTKSSA-N -1 0 351.363 -0.800 20 0 FBADRM CC(=O)NCCN(C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)[C@@H](C)C(=O)[O-] ZINC000371655699 597695048 /nfs/dbraw/zinc/69/50/48/597695048.db2.gz MZGHCAHUKLPBRZ-ONGXEEELSA-N -1 0 351.363 -0.800 20 0 FBADRM CCOC(=O)c1c[n-]n(C2CCN([C@@H](C)C(=O)NC(=O)NC)CC2)c1=N ZINC000371730244 484102601 /nfs/dbraw/zinc/10/26/01/484102601.db2.gz QBFADEXEQDNBSC-JTQLQIEISA-N -1 0 366.422 -0.047 20 0 FBADRM CCOC(=O)c1c[n-]n(C2CCN([C@H](C)C(=O)NC(=O)NC)CC2)c1=N ZINC000371730245 484103112 /nfs/dbraw/zinc/10/31/12/484103112.db2.gz QBFADEXEQDNBSC-SNVBAGLBSA-N -1 0 366.422 -0.047 20 0 FBADRM CCOC(=O)c1c[n-]n(C2CCN([C@H](C)C(=O)NC(N)=O)CC2)c1=N ZINC000371731507 484102585 /nfs/dbraw/zinc/10/25/85/484102585.db2.gz DJCNHDGPVMTRFF-SECBINFHSA-N -1 0 352.395 -0.307 20 0 FBADRM CCOC(=O)c1c[n-]n(C2CCN([C@@H](C)C(=O)NC(N)=O)CC2)c1=N ZINC000371731508 484103037 /nfs/dbraw/zinc/10/30/37/484103037.db2.gz DJCNHDGPVMTRFF-VIFPVBQESA-N -1 0 352.395 -0.307 20 0 FBADRM CCOC(=O)c1c[n-]n(C2CCN(CC(=O)NC(=O)NC)CC2)c1=N ZINC000371731937 484102504 /nfs/dbraw/zinc/10/25/04/484102504.db2.gz IGZIFOJVMLKQOR-UHFFFAOYSA-N -1 0 352.395 -0.435 20 0 FBADRM CSc1nc(=NC(=O)NC2CCN(c3nnnn3C)CC2)s[n-]1 ZINC000371973116 484114861 /nfs/dbraw/zinc/11/48/61/484114861.db2.gz OCOWWVXGHPALBM-UHFFFAOYSA-N -1 0 355.453 -0.004 20 0 FBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000371994446 484116106 /nfs/dbraw/zinc/11/61/06/484116106.db2.gz UQHYXHNFDCVYGE-CHWSQXEVSA-N -1 0 362.448 -0.379 20 0 FBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000371994452 484116363 /nfs/dbraw/zinc/11/63/63/484116363.db2.gz UQHYXHNFDCVYGE-QWHCGFSZSA-N -1 0 362.448 -0.379 20 0 FBADRM Cn1nnnc1N1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CC1 ZINC000372019599 484118259 /nfs/dbraw/zinc/11/82/59/484118259.db2.gz BVYZHSIXRHWSIM-UHFFFAOYSA-N -1 0 365.419 -0.456 20 0 FBADRM Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC[C@@H]1C(=O)NCCC(=O)[O-] ZINC000372027650 484120317 /nfs/dbraw/zinc/12/03/17/484120317.db2.gz FCHBPXUETYZFJJ-MRVPVSSYSA-N -1 0 363.417 -0.099 20 0 FBADRM Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC[C@H]1C(=O)NCCC(=O)[O-] ZINC000372027651 484120365 /nfs/dbraw/zinc/12/03/65/484120365.db2.gz FCHBPXUETYZFJJ-QMMMGPOBSA-N -1 0 363.417 -0.099 20 0 FBADRM Cc1ccc(-n2[n-]c(C(=O)N3CCN(c4nnnn4C)CC3)cc2=O)cc1 ZINC000372040759 484120453 /nfs/dbraw/zinc/12/04/53/484120453.db2.gz FCRSZXGFKFHSJY-UHFFFAOYSA-N -1 0 368.401 -0.040 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000372159127 484129165 /nfs/dbraw/zinc/12/91/65/484129165.db2.gz XTWSSDNTOONHDZ-LLVKDONJSA-N -1 0 367.431 -0.256 20 0 FBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000372159128 484128962 /nfs/dbraw/zinc/12/89/62/484128962.db2.gz XTWSSDNTOONHDZ-NSHDSACASA-N -1 0 367.431 -0.256 20 0 FBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NC[C@@H]1CN2CCN1CC2 ZINC000372170647 484130312 /nfs/dbraw/zinc/13/03/12/484130312.db2.gz VFUOSEAXLOEWAC-GFCCVEGCSA-N -1 0 359.455 -0.199 20 0 FBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NC[C@H]1CN2CCN1CC2 ZINC000372170648 484131550 /nfs/dbraw/zinc/13/15/50/484131550.db2.gz VFUOSEAXLOEWAC-LBPRGKRZSA-N -1 0 359.455 -0.199 20 0 FBADRM CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000372259580 484133740 /nfs/dbraw/zinc/13/37/40/484133740.db2.gz BANHGLWDTGQZRN-GFCCVEGCSA-N -1 0 363.413 -0.295 20 0 FBADRM CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000372259581 484134085 /nfs/dbraw/zinc/13/40/85/484134085.db2.gz BANHGLWDTGQZRN-LBPRGKRZSA-N -1 0 363.413 -0.295 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1F ZINC000372260240 484136287 /nfs/dbraw/zinc/13/62/87/484136287.db2.gz HHFVHIOYDFXIJO-OIBJUYFYSA-N -1 0 367.376 -0.562 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])cc1F ZINC000372260241 484135860 /nfs/dbraw/zinc/13/58/60/484135860.db2.gz HHFVHIOYDFXIJO-XVKPBYJWSA-N -1 0 367.376 -0.562 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)[O-] ZINC000372261118 484136066 /nfs/dbraw/zinc/13/60/66/484136066.db2.gz LBJNTGWBGLHULA-LBPRGKRZSA-N -1 0 370.383 -0.553 20 0 FBADRM CCC(=O)NCc1cc(S(=O)(=O)NC2(C(=O)[O-])COC2)ccc1OC ZINC000372262073 484136121 /nfs/dbraw/zinc/13/61/21/484136121.db2.gz PNMATQPGAHUEOI-UHFFFAOYSA-N -1 0 372.399 -0.147 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC2(CCC2)C1 ZINC000372262566 484136090 /nfs/dbraw/zinc/13/60/90/484136090.db2.gz ROTVWZXRRKHHLT-GHMZBOCLSA-N -1 0 369.461 -0.247 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC2(CCC2)C1 ZINC000372262567 484135316 /nfs/dbraw/zinc/13/53/16/484135316.db2.gz ROTVWZXRRKHHLT-MNOVXSKESA-N -1 0 369.461 -0.247 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC2(CCC2)C1 ZINC000372262568 484135495 /nfs/dbraw/zinc/13/54/95/484135495.db2.gz ROTVWZXRRKHHLT-QWRGUYRKSA-N -1 0 369.461 -0.247 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC2(CCC2)C1 ZINC000372262569 484136100 /nfs/dbraw/zinc/13/61/00/484136100.db2.gz ROTVWZXRRKHHLT-WDEREUQCSA-N -1 0 369.461 -0.247 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])c1 ZINC000372262992 484135269 /nfs/dbraw/zinc/13/52/69/484135269.db2.gz UEOVDGUVFWFXII-CABZTGNLSA-N -1 0 363.413 -0.311 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000372262999 484135636 /nfs/dbraw/zinc/13/56/36/484135636.db2.gz UEOVDGUVFWFXII-JOYOIKCWSA-N -1 0 363.413 -0.311 20 0 FBADRM Cn1ncnc1COc1ccc(S(=O)(=O)NC2(C(=O)[O-])COC2)cc1 ZINC000372263189 484136041 /nfs/dbraw/zinc/13/60/41/484136041.db2.gz VCOPOQGCMFNDFC-UHFFFAOYSA-N -1 0 368.371 -0.474 20 0 FBADRM COC(=O)c1cc(OC)c(S(=O)(=O)NC2(C(=O)[O-])COC2)s1 ZINC000372267444 484136029 /nfs/dbraw/zinc/13/60/29/484136029.db2.gz LDVWWFSSEDQRTL-UHFFFAOYSA-N -1 0 351.358 -0.325 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)NC2(C(=O)[O-])COC2)ccc1F ZINC000372286704 484135964 /nfs/dbraw/zinc/13/59/64/484135964.db2.gz BSEZHFKIWXDOBR-UHFFFAOYSA-N -1 0 353.349 -0.639 20 0 FBADRM COC(=O)c1c(F)ccc(S(=O)(=O)NC2(C(=O)[O-])COC2)c1F ZINC000372286714 484135870 /nfs/dbraw/zinc/13/58/70/484135870.db2.gz BUCUKBOBDNGRPU-UHFFFAOYSA-N -1 0 351.283 -0.117 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)NC2(C(=O)[O-])COC2)cc1F ZINC000372287755 484135950 /nfs/dbraw/zinc/13/59/50/484135950.db2.gz HSLZIQUWUKPWFT-UHFFFAOYSA-N -1 0 353.349 -0.639 20 0 FBADRM O=C([O-])C1(NS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)COC1 ZINC000372300793 484137179 /nfs/dbraw/zinc/13/71/79/484137179.db2.gz KCMVOIHLFNBIEY-UHFFFAOYSA-N -1 0 370.383 -0.709 20 0 FBADRM CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NC2(C(=O)[O-])COC2)c1 ZINC000372302407 484137522 /nfs/dbraw/zinc/13/75/22/484137522.db2.gz RSZQZPAHJYSHHQ-UHFFFAOYSA-N -1 0 369.804 -0.125 20 0 FBADRM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NC2(C(=O)[O-])COC2)c1 ZINC000372303495 484137222 /nfs/dbraw/zinc/13/72/22/484137222.db2.gz YAMWBEDVMDERKA-UHFFFAOYSA-N -1 0 373.339 -0.608 20 0 FBADRM C[C@@H](O)[C@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-] ZINC000372310035 484138047 /nfs/dbraw/zinc/13/80/47/484138047.db2.gz RCLTVIZVOGQOIE-RTXFEEFZSA-N -1 0 362.448 -0.079 20 0 FBADRM C[C@@H](O)[C@H](NS(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-] ZINC000372310036 484137514 /nfs/dbraw/zinc/13/75/14/484137514.db2.gz RCLTVIZVOGQOIE-WXHSDQCUSA-N -1 0 362.448 -0.079 20 0 FBADRM O=C([O-])CN(CCO)S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000372310839 484137274 /nfs/dbraw/zinc/13/72/74/484137274.db2.gz WMIUMFVCESRAHD-CYBMUJFWSA-N -1 0 362.448 -0.124 20 0 FBADRM O=C([O-])CN(CCO)S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000372310840 484137899 /nfs/dbraw/zinc/13/78/99/484137899.db2.gz WMIUMFVCESRAHD-ZDUSSCGKSA-N -1 0 362.448 -0.124 20 0 FBADRM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000372314426 484137746 /nfs/dbraw/zinc/13/77/46/484137746.db2.gz CTCYKMRRTFTGKJ-CMPLNLGQSA-N -1 0 353.360 -0.475 20 0 FBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000372314427 484136941 /nfs/dbraw/zinc/13/69/41/484136941.db2.gz CTCYKMRRTFTGKJ-JQWIXIFHSA-N -1 0 353.360 -0.475 20 0 FBADRM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000372314428 245548933 /nfs/dbraw/zinc/54/89/33/245548933.db2.gz CTCYKMRRTFTGKJ-ZYHUDNBSSA-N -1 0 353.360 -0.475 20 0 FBADRM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C1 ZINC000372314624 484137784 /nfs/dbraw/zinc/13/77/84/484137784.db2.gz FMHDEJHGKCCWEL-PRHODGIISA-N -1 0 368.367 -0.225 20 0 FBADRM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C1 ZINC000372314625 484137003 /nfs/dbraw/zinc/13/70/03/484137003.db2.gz FMHDEJHGKCCWEL-QPUJVOFHSA-N -1 0 368.367 -0.225 20 0 FBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C1 ZINC000372314626 245548797 /nfs/dbraw/zinc/54/87/97/245548797.db2.gz FMHDEJHGKCCWEL-UFBFGSQYSA-N -1 0 368.367 -0.225 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)N2CCCCC[C@@H]2C(=O)[O-])CC1 ZINC000372314738 484137808 /nfs/dbraw/zinc/13/78/08/484137808.db2.gz GSNYUIRCVZMNEM-LLVKDONJSA-N -1 0 369.465 -0.862 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)N2CCCCC[C@H]2C(=O)[O-])CC1 ZINC000372314739 245549278 /nfs/dbraw/zinc/54/92/78/245549278.db2.gz GSNYUIRCVZMNEM-NSHDSACASA-N -1 0 369.465 -0.862 20 0 FBADRM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC000372314822 484137630 /nfs/dbraw/zinc/13/76/30/484137630.db2.gz HLOTUUCHJGGREM-BXKDBHETSA-N -1 0 363.413 -0.047 20 0 FBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC000372314823 245549621 /nfs/dbraw/zinc/54/96/21/245549621.db2.gz HLOTUUCHJGGREM-CABZTGNLSA-N -1 0 363.413 -0.047 20 0 FBADRM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC000372314824 484136993 /nfs/dbraw/zinc/13/69/93/484136993.db2.gz HLOTUUCHJGGREM-JOYOIKCWSA-N -1 0 363.413 -0.047 20 0 FBADRM CCC1(C(=O)[O-])CCN(S(=O)(=O)CCNS(=O)(=O)CC)CC1 ZINC000372314955 484138054 /nfs/dbraw/zinc/13/80/54/484138054.db2.gz IZHOGZIRWZRTIC-UHFFFAOYSA-N -1 0 356.466 -0.168 20 0 FBADRM NC(=O)CC[C@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-] ZINC000372314992 484137796 /nfs/dbraw/zinc/13/77/96/484137796.db2.gz JIJOWOXXPFMAII-NSHDSACASA-N -1 0 361.420 -0.975 20 0 FBADRM CC(C)C[C@@H](NC(=O)Cc1[nH]c(O)nc1O)c1nc(-c2ncn[n-]2)no1 ZINC000372331376 484139497 /nfs/dbraw/zinc/13/94/97/484139497.db2.gz IOIOHWCBMZDENX-JGVFFNPUSA-N -1 0 362.350 -0.344 20 0 FBADRM CC(C)C[C@H](NC(=O)Cc1[nH]c(O)nc1O)c1nc(-c2ncn[n-]2)no1 ZINC000372331387 484140109 /nfs/dbraw/zinc/14/01/09/484140109.db2.gz IOIOHWCBMZDENX-YUMQZZPRSA-N -1 0 362.350 -0.344 20 0 FBADRM Cn1nc2n(c1=O)CCN(C(=O)Cn1c(=O)c3ccccc3[n-]c1=S)C2 ZINC000372365828 484141150 /nfs/dbraw/zinc/14/11/50/484141150.db2.gz LOJQCTUSQPNFPR-UHFFFAOYSA-N -1 0 372.410 -0.377 20 0 FBADRM Cn1nc2n(c1=O)CCN(C(=O)c1ccc3c(c1)[n-]c(=S)n(C)c3=O)C2 ZINC000372373597 484141023 /nfs/dbraw/zinc/14/10/23/484141023.db2.gz OJOGFFGGLZFOJT-UHFFFAOYSA-N -1 0 372.410 -0.227 20 0 FBADRM O=C([O-])[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000372469676 484144132 /nfs/dbraw/zinc/14/41/32/484144132.db2.gz ABRLDQHUXFMQQU-QUBYGPBYSA-N -1 0 355.328 -0.751 20 0 FBADRM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000372469677 484144672 /nfs/dbraw/zinc/14/46/72/484144672.db2.gz ABRLDQHUXFMQQU-WKEGUHRASA-N -1 0 355.328 -0.751 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])cc(F)c1F ZINC000372470809 484145066 /nfs/dbraw/zinc/14/50/66/484145066.db2.gz GOXVVWBADFQIKE-QUBYGPBYSA-N -1 0 365.310 -0.040 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])cc(F)c1F ZINC000372470811 484145220 /nfs/dbraw/zinc/14/52/20/484145220.db2.gz GOXVVWBADFQIKE-WKEGUHRASA-N -1 0 365.310 -0.040 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N3C[C@@H](O)C[C@@H]3C(=O)[O-])cc2n(C)c1=O ZINC000372471122 484144310 /nfs/dbraw/zinc/14/43/10/484144310.db2.gz HRKIEGIFEDIPMZ-QPUJVOFHSA-N -1 0 355.372 -0.915 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])cc2n(C)c1=O ZINC000372471123 484145063 /nfs/dbraw/zinc/14/50/63/484145063.db2.gz HRKIEGIFEDIPMZ-UFBFGSQYSA-N -1 0 355.372 -0.915 20 0 FBADRM O=C([O-])[C@H]1C[C@H](O)CN1S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000372471757 484146256 /nfs/dbraw/zinc/14/62/56/484146256.db2.gz JWXYRHSBNLXXFK-QWHCGFSZSA-N -1 0 357.384 -0.031 20 0 FBADRM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000372471758 484146731 /nfs/dbraw/zinc/14/67/31/484146731.db2.gz JWXYRHSBNLXXFK-STQMWFEESA-N -1 0 357.384 -0.031 20 0 FBADRM Cc1c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])cnn1-c1ccccn1 ZINC000372471982 484146590 /nfs/dbraw/zinc/14/65/90/484146590.db2.gz KIVDBMRJKARINU-QWRGUYRKSA-N -1 0 352.372 -0.216 20 0 FBADRM Cc1c(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])cnn1-c1ccccn1 ZINC000372471984 484146809 /nfs/dbraw/zinc/14/68/09/484146809.db2.gz KIVDBMRJKARINU-WDEREUQCSA-N -1 0 352.372 -0.216 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2cn3c(n2)CCCC3)C1 ZINC000372473021 484146717 /nfs/dbraw/zinc/14/67/17/484146717.db2.gz OHBJHKVWHQKZRM-JTQLQIEISA-N -1 0 356.404 -0.569 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2cn3c(n2)CCCC3)C1 ZINC000372473022 484146607 /nfs/dbraw/zinc/14/66/07/484146607.db2.gz OHBJHKVWHQKZRM-SNVBAGLBSA-N -1 0 356.404 -0.569 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-] ZINC000372473341 484146452 /nfs/dbraw/zinc/14/64/52/484146452.db2.gz PIRBJUILLZRTNY-GXSJLCMTSA-N -1 0 363.413 -0.393 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-] ZINC000372473342 484146199 /nfs/dbraw/zinc/14/61/99/484146199.db2.gz PIRBJUILLZRTNY-ONGXEEELSA-N -1 0 363.413 -0.393 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])ccc1F ZINC000372474346 484146431 /nfs/dbraw/zinc/14/64/31/484146431.db2.gz TVRHWVCKGSQRFR-OIBJUYFYSA-N -1 0 367.376 -0.562 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])ccc1F ZINC000372474351 484146844 /nfs/dbraw/zinc/14/68/44/484146844.db2.gz TVRHWVCKGSQRFR-XVKPBYJWSA-N -1 0 367.376 -0.562 20 0 FBADRM Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000372477459 484146624 /nfs/dbraw/zinc/14/66/24/484146624.db2.gz FMADYMQCDWICDA-POYBYMJQSA-N -1 0 363.417 -0.100 20 0 FBADRM Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000372477460 484146250 /nfs/dbraw/zinc/14/62/50/484146250.db2.gz FMADYMQCDWICDA-XPUUQOCRSA-N -1 0 363.417 -0.100 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000372496877 484146387 /nfs/dbraw/zinc/14/63/87/484146387.db2.gz NSSYNHYBPKQKKU-AXFHLTTASA-N -1 0 354.450 -0.559 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000372496878 484146750 /nfs/dbraw/zinc/14/67/50/484146750.db2.gz NSSYNHYBPKQKKU-DCAQKATOSA-N -1 0 354.450 -0.559 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000372496879 484145945 /nfs/dbraw/zinc/14/59/45/484145945.db2.gz NSSYNHYBPKQKKU-GARJFASQSA-N -1 0 354.450 -0.559 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000372496880 484146630 /nfs/dbraw/zinc/14/66/30/484146630.db2.gz NSSYNHYBPKQKKU-HBNTYKKESA-N -1 0 354.450 -0.559 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000372527935 484230843 /nfs/dbraw/zinc/23/08/43/484230843.db2.gz VOFQMKNSZFUATE-SECBINFHSA-N -1 0 360.403 0.358 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000372527936 484231797 /nfs/dbraw/zinc/23/17/97/484231797.db2.gz VOFQMKNSZFUATE-VIFPVBQESA-N -1 0 360.403 0.358 20 0 FBADRM Cc1cc(NC(=O)C(=O)[N-]OCC(N)=O)nn1-c1cccc(Cl)c1 ZINC000372610368 484268203 /nfs/dbraw/zinc/26/82/03/484268203.db2.gz CEBVPNIBNXTUGP-UHFFFAOYSA-N -1 0 351.750 0.306 20 0 FBADRM CCCc1c(NC(=O)C(=O)[N-]OCC(N)=O)cnn1-c1cc(C)ccn1 ZINC000372615405 484157471 /nfs/dbraw/zinc/15/74/71/484157471.db2.gz ABVUJCWHMKAYEH-UHFFFAOYSA-N -1 0 360.374 0.000 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000372618544 484190537 /nfs/dbraw/zinc/19/05/37/484190537.db2.gz LGBHOVAGDIZSQQ-UHFFFAOYSA-N -1 0 371.275 0.363 20 0 FBADRM O=S(=O)([N-]CC(F)(F)F)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000372678843 484164194 /nfs/dbraw/zinc/16/41/94/484164194.db2.gz ZUGMIWSOUUIELG-UHFFFAOYSA-N -1 0 365.399 -0.071 20 0 FBADRM CCS(=O)(=O)c1ccc2c(c1)N(CC(=O)NCCC(=O)[O-])CC(=O)O2 ZINC000372750138 484170992 /nfs/dbraw/zinc/17/09/92/484170992.db2.gz XDUBWPPIIOGRSS-UHFFFAOYSA-N -1 0 370.383 -0.204 20 0 FBADRM Cn1nc(C(=O)N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)ccc1=O ZINC000372752659 484170827 /nfs/dbraw/zinc/17/08/27/484170827.db2.gz QRDMZUVZPHQPPE-DZGCQCFKSA-N -1 0 370.365 -0.063 20 0 FBADRM Cn1nc(C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)ccc1=O ZINC000372752860 484170336 /nfs/dbraw/zinc/17/03/36/484170336.db2.gz QRDMZUVZPHQPPE-HIFRSBDPSA-N -1 0 370.365 -0.063 20 0 FBADRM Cn1nc(C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)ccc1=O ZINC000372752861 484171134 /nfs/dbraw/zinc/17/11/34/484171134.db2.gz QRDMZUVZPHQPPE-UKRRQHHQSA-N -1 0 370.365 -0.063 20 0 FBADRM Cn1nc(C(=O)N[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)ccc1=O ZINC000372752862 484170347 /nfs/dbraw/zinc/17/03/47/484170347.db2.gz QRDMZUVZPHQPPE-ZFWWWQNUSA-N -1 0 370.365 -0.063 20 0 FBADRM NC(=O)CSCC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000372753817 484170736 /nfs/dbraw/zinc/17/07/36/484170736.db2.gz VMUBKYBHYMJRKK-BXUZGUMPSA-N -1 0 365.411 -0.252 20 0 FBADRM NC(=O)CSCC(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000372753818 484171332 /nfs/dbraw/zinc/17/13/32/484171332.db2.gz VMUBKYBHYMJRKK-FZMZJTMJSA-N -1 0 365.411 -0.252 20 0 FBADRM NC(=O)CSCC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000372753819 484171187 /nfs/dbraw/zinc/17/11/87/484171187.db2.gz VMUBKYBHYMJRKK-RISCZKNCSA-N -1 0 365.411 -0.252 20 0 FBADRM NC(=O)CSCC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000372753820 484170289 /nfs/dbraw/zinc/17/02/89/484170289.db2.gz VMUBKYBHYMJRKK-SMDDNHRTSA-N -1 0 365.411 -0.252 20 0 FBADRM C[C@H](C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O)S(C)(=O)=O ZINC000372756190 484170912 /nfs/dbraw/zinc/17/09/12/484170912.db2.gz KDWMPADQOWBZCU-KGYLQXTDSA-N -1 0 368.411 -0.038 20 0 FBADRM C[C@H](C(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O)S(C)(=O)=O ZINC000372756193 484171089 /nfs/dbraw/zinc/17/10/89/484171089.db2.gz KDWMPADQOWBZCU-RAIGVLPGSA-N -1 0 368.411 -0.038 20 0 FBADRM C[C@H](C(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O)S(C)(=O)=O ZINC000372756195 484170928 /nfs/dbraw/zinc/17/09/28/484170928.db2.gz KDWMPADQOWBZCU-RTXFEEFZSA-N -1 0 368.411 -0.038 20 0 FBADRM C[C@H](C(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O)S(C)(=O)=O ZINC000372756197 484171284 /nfs/dbraw/zinc/17/12/84/484171284.db2.gz KDWMPADQOWBZCU-WXHSDQCUSA-N -1 0 368.411 -0.038 20 0 FBADRM C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000372859255 484178851 /nfs/dbraw/zinc/17/88/51/484178851.db2.gz JJIBBBLPXXJHAE-CXAGYDPISA-N -1 0 372.385 -0.493 20 0 FBADRM C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000372859256 484178221 /nfs/dbraw/zinc/17/82/21/484178221.db2.gz JJIBBBLPXXJHAE-DYVFJYSZSA-N -1 0 372.385 -0.493 20 0 FBADRM C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000372859257 484178110 /nfs/dbraw/zinc/17/81/10/484178110.db2.gz JJIBBBLPXXJHAE-GUYCJALGSA-N -1 0 372.385 -0.493 20 0 FBADRM C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000372859258 484178925 /nfs/dbraw/zinc/17/89/25/484178925.db2.gz JJIBBBLPXXJHAE-SUMWQHHRSA-N -1 0 372.385 -0.493 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3C[C@H]4CCC[C@@H](C3)N4)cc-2c(=O)[n-]1 ZINC000372879236 484180023 /nfs/dbraw/zinc/18/00/23/484180023.db2.gz QTPCBSXFJGUYSX-DTORHVGOSA-N -1 0 351.388 -0.049 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCCO2)n1 ZINC000372966821 484367281 /nfs/dbraw/zinc/36/72/81/484367281.db2.gz RWRWLSNBBKZCCE-NEPJUHHUSA-N -1 0 350.375 0.466 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCO2)n1 ZINC000372966822 484367287 /nfs/dbraw/zinc/36/72/87/484367287.db2.gz RWRWLSNBBKZCCE-NWDGAFQWSA-N -1 0 350.375 0.466 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCO2)n1 ZINC000372966823 484366671 /nfs/dbraw/zinc/36/66/71/484366671.db2.gz RWRWLSNBBKZCCE-RYUDHWBXSA-N -1 0 350.375 0.466 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)[C@H]2CCCCN2C(=O)[C@H]2CCCO2)n1 ZINC000372966824 484366515 /nfs/dbraw/zinc/36/65/15/484366515.db2.gz RWRWLSNBBKZCCE-VXGBXAGGSA-N -1 0 350.375 0.466 20 0 FBADRM CC(C)NS(=O)(=O)NCCNS(=O)(=O)c1cn2c(n1)CCCC2 ZINC000372991749 484184802 /nfs/dbraw/zinc/18/48/02/484184802.db2.gz GXKVLTLRIGBPQM-UHFFFAOYSA-N -1 0 365.481 -0.670 20 0 FBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc3c(c2)N(CC(=O)NC)CC3)c1[O-] ZINC000373080058 484189899 /nfs/dbraw/zinc/18/98/99/484189899.db2.gz KMPDIMNSOSUMEF-AWEZNQCLSA-N -1 0 360.370 -0.217 20 0 FBADRM CCOC(=O)c1[nH]c(=O)n(-c2ccc3c(c2)N(CC(=O)NC)CC3)c1[O-] ZINC000373080059 484190398 /nfs/dbraw/zinc/19/03/98/484190398.db2.gz KMPDIMNSOSUMEF-CQSZACIVSA-N -1 0 360.370 -0.217 20 0 FBADRM COCCc1nc(=Nc2cnn(CC(=O)N3CCOCC3)c2)s[n-]1 ZINC000373106364 484190369 /nfs/dbraw/zinc/19/03/69/484190369.db2.gz IJHQUZLVWIFVBH-UHFFFAOYSA-N -1 0 352.420 -0.052 20 0 FBADRM NC(=O)CO[N-]C(=O)CN1C(=O)N[C@](c2cccs2)(C2CC2)C1=O ZINC000373152193 484193979 /nfs/dbraw/zinc/19/39/79/484193979.db2.gz MBQPJQGISYFIHX-AWEZNQCLSA-N -1 0 352.372 -0.562 20 0 FBADRM NC(=O)CO[N-]C(=O)CN1C(=O)N[C@@](c2cccs2)(C2CC2)C1=O ZINC000373152196 484193379 /nfs/dbraw/zinc/19/33/79/484193379.db2.gz MBQPJQGISYFIHX-CQSZACIVSA-N -1 0 352.372 -0.562 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2ccccc2)C1 ZINC000373203879 484195076 /nfs/dbraw/zinc/19/50/76/484195076.db2.gz QMOYSDXTZJNKMP-CABCVRRESA-N -1 0 361.398 -0.044 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)N1C[C@@H](c2ccccc2)C[C@H](C(=O)[O-])C1 ZINC000373203881 484194605 /nfs/dbraw/zinc/19/46/05/484194605.db2.gz QMOYSDXTZJNKMP-GJZGRUSLSA-N -1 0 361.398 -0.044 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2ccccc2)C1 ZINC000373203883 484194705 /nfs/dbraw/zinc/19/47/05/484194705.db2.gz QMOYSDXTZJNKMP-HUUCEWRRSA-N -1 0 361.398 -0.044 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2ccccc2)C1 ZINC000373203885 484194788 /nfs/dbraw/zinc/19/47/88/484194788.db2.gz QMOYSDXTZJNKMP-LSDHHAIUSA-N -1 0 361.398 -0.044 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000373225068 484196425 /nfs/dbraw/zinc/19/64/25/484196425.db2.gz BXEMZXVMCFNYFB-UHFFFAOYSA-N -1 0 369.399 -0.979 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)N(CC(=O)NC)CC2 ZINC000373476561 484205871 /nfs/dbraw/zinc/20/58/71/484205871.db2.gz RQEGKUOSDSQHRQ-UHFFFAOYSA-N -1 0 364.402 -0.182 20 0 FBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 ZINC000373583594 484213407 /nfs/dbraw/zinc/21/34/07/484213407.db2.gz QGTTZTICUYSROZ-GWCFXTLKSA-N -1 0 354.384 -0.165 20 0 FBADRM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 ZINC000373583595 484213499 /nfs/dbraw/zinc/21/34/99/484213499.db2.gz QGTTZTICUYSROZ-GXFFZTMASA-N -1 0 354.384 -0.165 20 0 FBADRM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 ZINC000373583596 484212404 /nfs/dbraw/zinc/21/24/04/484212404.db2.gz QGTTZTICUYSROZ-ZWNOBZJWSA-N -1 0 354.384 -0.165 20 0 FBADRM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccccc2S(C)(=O)=O)C1 ZINC000373584886 484212352 /nfs/dbraw/zinc/21/23/52/484212352.db2.gz VXCGKWPURVQNAI-NXEZZACHSA-N -1 0 363.413 -0.047 20 0 FBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccccc2S(C)(=O)=O)C1 ZINC000373584887 484213034 /nfs/dbraw/zinc/21/30/34/484213034.db2.gz VXCGKWPURVQNAI-UWVGGRQHSA-N -1 0 363.413 -0.047 20 0 FBADRM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccccc2S(C)(=O)=O)C1 ZINC000373584888 484213506 /nfs/dbraw/zinc/21/35/06/484213506.db2.gz VXCGKWPURVQNAI-VHSXEESVSA-N -1 0 363.413 -0.047 20 0 FBADRM CSc1nc(=O)n(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)[n-]1 ZINC000373730626 484220817 /nfs/dbraw/zinc/22/08/17/484220817.db2.gz XAWAIPYXVOVIPU-UHFFFAOYSA-N -1 0 368.419 -0.175 20 0 FBADRM CN1CCCN(C(=O)CNC(=O)c2cnc3ccccc3c2O)CC1=O ZINC000373737902 484222496 /nfs/dbraw/zinc/22/24/96/484222496.db2.gz LXYLIJWPQKXZDZ-UHFFFAOYSA-N -1 0 356.382 -0.051 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000373744575 484221939 /nfs/dbraw/zinc/22/19/39/484221939.db2.gz JDMKAKMARYVQMV-KKZNHRDASA-N -1 0 351.325 -0.195 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000373744576 484221888 /nfs/dbraw/zinc/22/18/88/484221888.db2.gz JDMKAKMARYVQMV-NGZCFLSTSA-N -1 0 351.325 -0.195 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000373744577 484221579 /nfs/dbraw/zinc/22/15/79/484221579.db2.gz JDMKAKMARYVQMV-QXEWZRGKSA-N -1 0 351.325 -0.195 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000373744578 484221705 /nfs/dbraw/zinc/22/17/05/484221705.db2.gz JDMKAKMARYVQMV-YWVKMMECSA-N -1 0 351.325 -0.195 20 0 FBADRM COC(=O)NCCc1ccc(S(=O)(=O)NC2(C(=O)[O-])COC2)s1 ZINC000373763077 483932545 /nfs/dbraw/zinc/93/25/45/483932545.db2.gz LKDZBHLSCOYCGO-UHFFFAOYSA-N -1 0 364.401 -0.222 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1C(=O)[O-] ZINC000373776118 484224934 /nfs/dbraw/zinc/22/49/34/484224934.db2.gz FPWFGZDUVNKDOI-CHWSQXEVSA-N -1 0 354.384 -0.029 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CC[C@@H]3OCC(=O)N[C@@H]3C2)cc1C(=O)[O-] ZINC000373776120 484225078 /nfs/dbraw/zinc/22/50/78/484225078.db2.gz FPWFGZDUVNKDOI-OLZOCXBDSA-N -1 0 354.384 -0.029 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@H]3C2)cc1C(=O)[O-] ZINC000373776121 484225182 /nfs/dbraw/zinc/22/51/82/484225182.db2.gz FPWFGZDUVNKDOI-QWHCGFSZSA-N -1 0 354.384 -0.029 20 0 FBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000373777372 484224847 /nfs/dbraw/zinc/22/48/47/484224847.db2.gz LHPGUKIWFFACSP-NEPJUHHUSA-N -1 0 354.384 -0.029 20 0 FBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000373777373 484225213 /nfs/dbraw/zinc/22/52/13/484225213.db2.gz LHPGUKIWFFACSP-NWDGAFQWSA-N -1 0 354.384 -0.029 20 0 FBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000373777374 484225280 /nfs/dbraw/zinc/22/52/80/484225280.db2.gz LHPGUKIWFFACSP-VXGBXAGGSA-N -1 0 354.384 -0.029 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000373778014 484224557 /nfs/dbraw/zinc/22/45/57/484224557.db2.gz QKFFSZWSYDAPSM-GHMZBOCLSA-N -1 0 370.383 -0.329 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000373778015 484225344 /nfs/dbraw/zinc/22/53/44/484225344.db2.gz QKFFSZWSYDAPSM-MNOVXSKESA-N -1 0 370.383 -0.329 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000373778016 484225362 /nfs/dbraw/zinc/22/53/62/484225362.db2.gz QKFFSZWSYDAPSM-QWRGUYRKSA-N -1 0 370.383 -0.329 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000373778017 484224833 /nfs/dbraw/zinc/22/48/33/484224833.db2.gz QKFFSZWSYDAPSM-WDEREUQCSA-N -1 0 370.383 -0.329 20 0 FBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)c1 ZINC000373778196 484225005 /nfs/dbraw/zinc/22/50/05/484225005.db2.gz RXQFCKCYIFLOJY-GHMZBOCLSA-N -1 0 358.347 -0.198 20 0 FBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)N2CC[C@@H]3OCC(=O)N[C@@H]3C2)c1 ZINC000373778197 484225133 /nfs/dbraw/zinc/22/51/33/484225133.db2.gz RXQFCKCYIFLOJY-MNOVXSKESA-N -1 0 358.347 -0.198 20 0 FBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)c1 ZINC000373778198 484225141 /nfs/dbraw/zinc/22/51/41/484225141.db2.gz RXQFCKCYIFLOJY-QWRGUYRKSA-N -1 0 358.347 -0.198 20 0 FBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@H]3C2)c1 ZINC000373778199 484224616 /nfs/dbraw/zinc/22/46/16/484224616.db2.gz RXQFCKCYIFLOJY-WDEREUQCSA-N -1 0 358.347 -0.198 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1C(=O)[O-] ZINC000373778362 484224718 /nfs/dbraw/zinc/22/47/18/484224718.db2.gz TYCMAGPEOSNBGN-AAEUAGOBSA-N -1 0 370.383 -0.329 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1C(=O)[O-] ZINC000373778364 484224724 /nfs/dbraw/zinc/22/47/24/484224724.db2.gz TYCMAGPEOSNBGN-DGCLKSJQSA-N -1 0 370.383 -0.329 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@H]3C2)cc1C(=O)[O-] ZINC000373778365 484224600 /nfs/dbraw/zinc/22/46/00/484224600.db2.gz TYCMAGPEOSNBGN-WCQYABFASA-N -1 0 370.383 -0.329 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC[C@@H]3OCC(=O)N[C@@H]3C2)cc1C(=O)[O-] ZINC000373778366 484225397 /nfs/dbraw/zinc/22/53/97/484225397.db2.gz TYCMAGPEOSNBGN-YPMHNXCESA-N -1 0 370.383 -0.329 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000373778994 484225204 /nfs/dbraw/zinc/22/52/04/484225204.db2.gz WPWWQCFRMULQNP-NEPJUHHUSA-N -1 0 354.384 -0.029 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000373778995 484224811 /nfs/dbraw/zinc/22/48/11/484224811.db2.gz WPWWQCFRMULQNP-NWDGAFQWSA-N -1 0 354.384 -0.029 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000373778996 484224609 /nfs/dbraw/zinc/22/46/09/484224609.db2.gz WPWWQCFRMULQNP-VXGBXAGGSA-N -1 0 354.384 -0.029 20 0 FBADRM Cc1oc(C)c(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)c1C(=O)[O-] ZINC000373779239 484225115 /nfs/dbraw/zinc/22/51/15/484225115.db2.gz XNRPMIZBBAEYEA-NXEZZACHSA-N -1 0 358.372 -0.127 20 0 FBADRM Cc1oc(C)c(S(=O)(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)c1C(=O)[O-] ZINC000373779244 484225253 /nfs/dbraw/zinc/22/52/53/484225253.db2.gz XNRPMIZBBAEYEA-UWVGGRQHSA-N -1 0 358.372 -0.127 20 0 FBADRM Cc1oc(C)c(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@H]3C2)c1C(=O)[O-] ZINC000373779245 484225245 /nfs/dbraw/zinc/22/52/45/484225245.db2.gz XNRPMIZBBAEYEA-VHSXEESVSA-N -1 0 358.372 -0.127 20 0 FBADRM Cc1oc(C)c(S(=O)(=O)N2CC[C@@H]3OCC(=O)N[C@@H]3C2)c1C(=O)[O-] ZINC000373779246 484225196 /nfs/dbraw/zinc/22/51/96/484225196.db2.gz XNRPMIZBBAEYEA-ZJUUUORDSA-N -1 0 358.372 -0.127 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000373835743 484228240 /nfs/dbraw/zinc/22/82/40/484228240.db2.gz IJABAYOWZPNAMB-BDAKNGLRSA-N -1 0 359.370 -0.031 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000373835745 484227622 /nfs/dbraw/zinc/22/76/22/484227622.db2.gz IJABAYOWZPNAMB-IUCAKERBSA-N -1 0 359.370 -0.031 20 0 FBADRM CC(C)(CNC(=O)CN1CCC(c2n[nH]c(=O)[n-]2)CC1)N1CCOCC1 ZINC000373839555 484227945 /nfs/dbraw/zinc/22/79/45/484227945.db2.gz PWFXPKNDOQZJIE-UHFFFAOYSA-N -1 0 366.466 -0.083 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1OC ZINC000373997846 484235994 /nfs/dbraw/zinc/23/59/94/484235994.db2.gz JBZCDHJTFZDSNS-GZMMTYOYSA-N -1 0 359.356 -0.310 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])cc1OC ZINC000373997851 484235658 /nfs/dbraw/zinc/23/56/58/484235658.db2.gz JBZCDHJTFZDSNS-KWQFWETISA-N -1 0 359.356 -0.310 20 0 FBADRM O=C(CCNC(=O)c1[nH]nc2ccccc21)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000374010286 484236141 /nfs/dbraw/zinc/23/61/41/484236141.db2.gz BCCPNJCCWHUSPJ-GFCCVEGCSA-N -1 0 370.373 -0.204 20 0 FBADRM O=C(CCNC(=O)c1[nH]nc2ccccc21)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000374010293 484235784 /nfs/dbraw/zinc/23/57/84/484235784.db2.gz BCCPNJCCWHUSPJ-LBPRGKRZSA-N -1 0 370.373 -0.204 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cn2)c(=O)n(C)c1=O ZINC000374070561 484240341 /nfs/dbraw/zinc/24/03/41/484240341.db2.gz ULCDDYXQOBOCLS-UHFFFAOYSA-N -1 0 374.382 -0.263 20 0 FBADRM COCC[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)C(=O)[O-] ZINC000374183855 484248209 /nfs/dbraw/zinc/24/82/09/484248209.db2.gz PCISACCSKKUQCT-GWCFXTLKSA-N -1 0 372.399 -0.181 20 0 FBADRM COCC[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)C(=O)[O-] ZINC000374183856 484248710 /nfs/dbraw/zinc/24/87/10/484248710.db2.gz PCISACCSKKUQCT-GXFFZTMASA-N -1 0 372.399 -0.181 20 0 FBADRM COCC[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)C(=O)[O-] ZINC000374183857 484248765 /nfs/dbraw/zinc/24/87/65/484248765.db2.gz PCISACCSKKUQCT-MFKMUULPSA-N -1 0 372.399 -0.181 20 0 FBADRM COCC[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)C(=O)[O-] ZINC000374183858 484248640 /nfs/dbraw/zinc/24/86/40/484248640.db2.gz PCISACCSKKUQCT-ZWNOBZJWSA-N -1 0 372.399 -0.181 20 0 FBADRM Cn1ccnc(N2CCC[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)C2)c1=O ZINC000374203599 484248234 /nfs/dbraw/zinc/24/82/34/484248234.db2.gz FFWWZGUECWDAOO-SECBINFHSA-N -1 0 369.369 -0.265 20 0 FBADRM Cn1ccnc(N2CCC[C@H](NS(=O)(=O)[N-]CC(F)(F)F)C2)c1=O ZINC000374203600 484248751 /nfs/dbraw/zinc/24/87/51/484248751.db2.gz FFWWZGUECWDAOO-VIFPVBQESA-N -1 0 369.369 -0.265 20 0 FBADRM O=c1[nH]ccnc1N1CCC[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000374208383 484250406 /nfs/dbraw/zinc/25/04/06/484250406.db2.gz ZOSGFZYCYROBHR-MRVPVSSYSA-N -1 0 355.342 -0.275 20 0 FBADRM O=c1[nH]ccnc1N1CCC[C@H](NS(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000374208384 484250125 /nfs/dbraw/zinc/25/01/25/484250125.db2.gz ZOSGFZYCYROBHR-QMMMGPOBSA-N -1 0 355.342 -0.275 20 0 FBADRM O=c1n(CC(F)F)nc2n1CCN(S(=O)(=O)[N-]CC(F)(F)F)C2 ZINC000374209629 484250080 /nfs/dbraw/zinc/25/00/80/484250080.db2.gz IMZPBLXIQWMMHA-UHFFFAOYSA-N -1 0 365.284 -0.478 20 0 FBADRM C[C@]1(C(=O)[O-])CCCCN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000374211563 484249811 /nfs/dbraw/zinc/24/98/11/484249811.db2.gz OKHJAJBSTORWHH-GFCCVEGCSA-N -1 0 369.465 -0.862 20 0 FBADRM C[C@@]1(C(=O)[O-])CCCCN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000374211564 484250495 /nfs/dbraw/zinc/25/04/95/484250495.db2.gz OKHJAJBSTORWHH-LBPRGKRZSA-N -1 0 369.465 -0.862 20 0 FBADRM COCc1nc([C@H]2COCCN2S(=O)(=O)[N-]CC(F)(F)F)no1 ZINC000374213707 484249982 /nfs/dbraw/zinc/24/99/82/484249982.db2.gz XQOWQHRRRORMKN-SSDOTTSWSA-N -1 0 360.314 -0.014 20 0 FBADRM COCc1nc([C@@H]2COCCN2S(=O)(=O)[N-]CC(F)(F)F)no1 ZINC000374213708 484250042 /nfs/dbraw/zinc/25/00/42/484250042.db2.gz XQOWQHRRRORMKN-ZETCQYMHSA-N -1 0 360.314 -0.014 20 0 FBADRM CCN1CCO[C@@H](CN2CCN(S(=O)(=O)[N-]CC(F)(F)F)CC2)C1 ZINC000374236333 484251142 /nfs/dbraw/zinc/25/11/42/484251142.db2.gz AVJFGBIAJBODEZ-GFCCVEGCSA-N -1 0 374.429 -0.279 20 0 FBADRM CCN1CCO[C@H](CN2CCN(S(=O)(=O)[N-]CC(F)(F)F)CC2)C1 ZINC000374236334 484251546 /nfs/dbraw/zinc/25/15/46/484251546.db2.gz AVJFGBIAJBODEZ-LBPRGKRZSA-N -1 0 374.429 -0.279 20 0 FBADRM NC(=O)C1(N2CCN(S(=O)(=O)[N-]CC(F)(F)F)CC2)CCCC1 ZINC000374236795 484251576 /nfs/dbraw/zinc/25/15/76/484251576.db2.gz GEQOLVCTXVLHDD-UHFFFAOYSA-N -1 0 358.386 -0.201 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)c2cnc3c(c2)NC(=O)CO3)s1 ZINC000374270522 484252941 /nfs/dbraw/zinc/25/29/41/484252941.db2.gz RBFDTKKXOGEWIQ-UHFFFAOYSA-N -1 0 370.372 -0.112 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000374320206 484254266 /nfs/dbraw/zinc/25/42/66/484254266.db2.gz GPVOFESJZHTBEK-JTQLQIEISA-N -1 0 363.461 -0.730 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CSCN1C(=O)C1CCC1 ZINC000374320207 484253928 /nfs/dbraw/zinc/25/39/28/484253928.db2.gz GPVOFESJZHTBEK-SNVBAGLBSA-N -1 0 363.461 -0.730 20 0 FBADRM CN1C(=O)C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@@H]1c1cccs1 ZINC000374320675 484253989 /nfs/dbraw/zinc/25/39/89/484253989.db2.gz LRFFFFLXUXPRQL-NOZJJQNGSA-N -1 0 373.456 -0.150 20 0 FBADRM CN1C(=O)C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@H]1c1cccs1 ZINC000374320676 484253945 /nfs/dbraw/zinc/25/39/45/484253945.db2.gz LRFFFFLXUXPRQL-RNCFNFMXSA-N -1 0 373.456 -0.150 20 0 FBADRM CN1C(=O)C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@@H]1c1cccs1 ZINC000374320677 484253787 /nfs/dbraw/zinc/25/37/87/484253787.db2.gz LRFFFFLXUXPRQL-TVQRCGJNSA-N -1 0 373.456 -0.150 20 0 FBADRM CN1C(=O)C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@H]1c1cccs1 ZINC000374320678 484253811 /nfs/dbraw/zinc/25/38/11/484253811.db2.gz LRFFFFLXUXPRQL-ZANVPECISA-N -1 0 373.456 -0.150 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CCCN1Cc1ccccn1 ZINC000374322224 484254067 /nfs/dbraw/zinc/25/40/67/484254067.db2.gz VVUJOCFUIYIGAQ-CYBMUJFWSA-N -1 0 354.432 -0.372 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CCCN1Cc1ccccn1 ZINC000374322226 484253744 /nfs/dbraw/zinc/25/37/44/484253744.db2.gz VVUJOCFUIYIGAQ-ZDUSSCGKSA-N -1 0 354.432 -0.372 20 0 FBADRM CN1C(=O)C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@@H]1c1ccccc1 ZINC000374322662 484254909 /nfs/dbraw/zinc/25/49/09/484254909.db2.gz FKEPODDWMXBBFF-DOMZBBRYSA-N -1 0 367.427 -0.212 20 0 FBADRM CN1C(=O)C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@H]1c1ccccc1 ZINC000374322663 484254155 /nfs/dbraw/zinc/25/41/55/484254155.db2.gz FKEPODDWMXBBFF-IUODEOHRSA-N -1 0 367.427 -0.212 20 0 FBADRM CN1C(=O)C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@H]1c1ccccc1 ZINC000374322664 484254482 /nfs/dbraw/zinc/25/44/82/484254482.db2.gz FKEPODDWMXBBFF-SWLSCSKDSA-N -1 0 367.427 -0.212 20 0 FBADRM CN1C(=O)C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@@H]1c1ccccc1 ZINC000374322665 484253892 /nfs/dbraw/zinc/25/38/92/484253892.db2.gz FKEPODDWMXBBFF-WFASDCNBSA-N -1 0 367.427 -0.212 20 0 FBADRM Cc1ccc(N2CC[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C2=O)cc1 ZINC000374322939 484254272 /nfs/dbraw/zinc/25/42/72/484254272.db2.gz XXTQCDDGLNVJQG-CYBMUJFWSA-N -1 0 367.427 -0.070 20 0 FBADRM Cc1ccc(N2CC[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C2=O)cc1 ZINC000374322942 484254055 /nfs/dbraw/zinc/25/40/55/484254055.db2.gz XXTQCDDGLNVJQG-ZDUSSCGKSA-N -1 0 367.427 -0.070 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CCCN1C(=O)C1CCCC1 ZINC000374324559 484254510 /nfs/dbraw/zinc/25/45/10/484254510.db2.gz AMZRKZBQFKMLPO-GFCCVEGCSA-N -1 0 359.448 -0.250 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000374324560 484253768 /nfs/dbraw/zinc/25/37/68/484253768.db2.gz AMZRKZBQFKMLPO-LBPRGKRZSA-N -1 0 359.448 -0.250 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000374324875 484253679 /nfs/dbraw/zinc/25/36/79/484253679.db2.gz AWSTUUBVLJVWJP-GFCCVEGCSA-N -1 0 374.463 -0.504 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000374324877 484254200 /nfs/dbraw/zinc/25/42/00/484254200.db2.gz AWSTUUBVLJVWJP-LBPRGKRZSA-N -1 0 374.463 -0.504 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1Cc2ccc(F)cc2C(=O)O1 ZINC000374332019 484253920 /nfs/dbraw/zinc/25/39/20/484253920.db2.gz OWFDRIGMVGORAY-LLVKDONJSA-N -1 0 358.347 -0.511 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1Cc2ccc(F)cc2C(=O)O1 ZINC000374332021 484253725 /nfs/dbraw/zinc/25/37/25/484253725.db2.gz OWFDRIGMVGORAY-NSHDSACASA-N -1 0 358.347 -0.511 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CN1c2ccsc2CCCC1=O ZINC000374336263 484253692 /nfs/dbraw/zinc/25/36/92/484253692.db2.gz DHDPVXRJTGJCPU-UHFFFAOYSA-N -1 0 373.456 -0.001 20 0 FBADRM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000374353135 484255569 /nfs/dbraw/zinc/25/55/69/484255569.db2.gz UFRPIUJGYBAIQF-AWEZNQCLSA-N -1 0 367.427 -0.458 20 0 FBADRM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000374353136 484255723 /nfs/dbraw/zinc/25/57/23/484255723.db2.gz UFRPIUJGYBAIQF-CQSZACIVSA-N -1 0 367.427 -0.458 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N[C@@]3(C(=O)[O-])CCOC3)cc2n(C)c1=O ZINC000374443593 484259330 /nfs/dbraw/zinc/25/93/30/484259330.db2.gz OBSUBWYIGBEYLC-AWEZNQCLSA-N -1 0 355.372 -0.601 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N[C@]3(C(=O)[O-])CCOC3)cc2n(C)c1=O ZINC000374443594 484259526 /nfs/dbraw/zinc/25/95/26/484259526.db2.gz OBSUBWYIGBEYLC-CQSZACIVSA-N -1 0 355.372 -0.601 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)ccc1F ZINC000374444376 484259075 /nfs/dbraw/zinc/25/90/75/484259075.db2.gz TXKPXEDQXJVPRE-GFCCVEGCSA-N -1 0 367.376 -0.249 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)ccc1F ZINC000374444377 484259109 /nfs/dbraw/zinc/25/91/09/484259109.db2.gz TXKPXEDQXJVPRE-LBPRGKRZSA-N -1 0 367.376 -0.249 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000374445086 484259297 /nfs/dbraw/zinc/25/92/97/484259297.db2.gz XSWHHDBSAILTLN-GFCCVEGCSA-N -1 0 364.401 -0.883 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000374445088 484259826 /nfs/dbraw/zinc/25/98/26/484259826.db2.gz XSWHHDBSAILTLN-LBPRGKRZSA-N -1 0 364.401 -0.883 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)NC3(C(=O)[O-])CCOCC3)cc2C1=O ZINC000374446458 484261345 /nfs/dbraw/zinc/26/13/45/484261345.db2.gz JXJKEAHVZXYAGL-UHFFFAOYSA-N -1 0 368.367 -0.176 20 0 FBADRM O=C([O-])C1(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CCOCC1 ZINC000374447137 484261180 /nfs/dbraw/zinc/26/11/80/484261180.db2.gz QDXPZCPTVILLKY-UHFFFAOYSA-N -1 0 369.355 -0.047 20 0 FBADRM C[C@H]1COC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000374581317 484265748 /nfs/dbraw/zinc/26/57/48/484265748.db2.gz AGZXYIWTBSWICG-ZANVPECISA-N -1 0 354.384 -0.165 20 0 FBADRM C[C@H]1COC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000374585329 484265481 /nfs/dbraw/zinc/26/54/81/484265481.db2.gz OJILPVJDZNLKEN-ZANVPECISA-N -1 0 369.399 -0.260 20 0 FBADRM C[C@H]1COC[C@@H](C(=O)[O-])N1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000374586156 484265536 /nfs/dbraw/zinc/26/55/36/484265536.db2.gz RDSYZDWJVGJXFK-QWRGUYRKSA-N -1 0 350.393 -0.756 20 0 FBADRM C[C@H]1COC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000374586287 484265856 /nfs/dbraw/zinc/26/58/56/484265856.db2.gz PUMKNCGDWJCLAN-UWVGGRQHSA-N -1 0 363.413 -0.047 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2[C@@H](C)COC[C@H]2C(=O)[O-])CC1 ZINC000374588375 484265795 /nfs/dbraw/zinc/26/57/95/484265795.db2.gz VXWGUGMWCYBYBH-QWRGUYRKSA-N -1 0 365.408 -0.821 20 0 FBADRM C[C@H]1COC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000374588565 484267218 /nfs/dbraw/zinc/26/72/18/484267218.db2.gz WUJDQJZSXRGDDA-KWQFWETISA-N -1 0 356.356 -0.006 20 0 FBADRM O=S(=O)([N-]CC(F)(F)F)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374732438 484272190 /nfs/dbraw/zinc/27/21/90/484272190.db2.gz DHOFIZBDIQHOEI-UHFFFAOYSA-N -1 0 365.399 -0.117 20 0 FBADRM NS(=O)(=O)N1CCC(n2cc([N-]S(=O)(=O)C(F)F)cn2)CC1 ZINC000375069937 484288019 /nfs/dbraw/zinc/28/80/19/484288019.db2.gz YRXATPSNNFTUGM-UHFFFAOYSA-N -1 0 359.380 -0.312 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2ncccc2N2CCCC2)c(=O)n(C)c1=O ZINC000375072459 484287394 /nfs/dbraw/zinc/28/73/94/484287394.db2.gz VXMHTGKZWCVMFW-UHFFFAOYSA-N -1 0 365.415 -0.120 20 0 FBADRM O=C(CNC(=O)c1ccc(F)c(F)c1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000375077095 484287715 /nfs/dbraw/zinc/28/77/15/484287715.db2.gz OOBUWKHNKFTTMD-LLVKDONJSA-N -1 0 352.301 -0.192 20 0 FBADRM O=C(CNC(=O)c1ccc(F)c(F)c1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000375077096 484287623 /nfs/dbraw/zinc/28/76/23/484287623.db2.gz OOBUWKHNKFTTMD-NSHDSACASA-N -1 0 352.301 -0.192 20 0 FBADRM Cc1ccc(C(=O)NCCC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c(O)c1 ZINC000375235155 484294850 /nfs/dbraw/zinc/29/48/50/484294850.db2.gz XFHUHMAOBHFFIF-CYBMUJFWSA-N -1 0 360.374 -0.066 20 0 FBADRM Cc1ccc(C(=O)NCCC(=O)N2CCO[C@H](c3nnn[n-]3)C2)c(O)c1 ZINC000375235156 484294909 /nfs/dbraw/zinc/29/49/09/484294909.db2.gz XFHUHMAOBHFFIF-ZDUSSCGKSA-N -1 0 360.374 -0.066 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CC(F)(F)C[C@H]3CO)cc-2c(=O)[n-]1 ZINC000375251431 484297703 /nfs/dbraw/zinc/29/77/03/484297703.db2.gz VFQOWDJTNNECGY-LURJTMIESA-N -1 0 362.314 -0.173 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CC(F)(F)C[C@@H]3CO)cc-2c(=O)[n-]1 ZINC000375251432 484297403 /nfs/dbraw/zinc/29/74/03/484297403.db2.gz VFQOWDJTNNECGY-ZCFIWIBFSA-N -1 0 362.314 -0.173 20 0 FBADRM NC(=O)[C@H]1CCO[C@@H]1C1CCN(C(=O)Cn2[n-]c(=O)ccc2=O)CC1 ZINC000375399504 484302990 /nfs/dbraw/zinc/30/29/90/484302990.db2.gz IRCKASSPNZXZMR-XHDPSFHLSA-N -1 0 350.375 -0.922 20 0 FBADRM CNS(=O)(=O)C1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1 ZINC000375411803 484304055 /nfs/dbraw/zinc/30/40/55/484304055.db2.gz CCNFBKWRQDJAOQ-UHFFFAOYSA-N -1 0 359.370 -0.016 20 0 FBADRM Cn1nnnc1N1CCC(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1 ZINC000375413636 484303038 /nfs/dbraw/zinc/30/30/38/484303038.db2.gz HDLIALPTORNNLS-UHFFFAOYSA-N -1 0 363.344 -0.248 20 0 FBADRM COCCN1CCCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1=O ZINC000375514925 484308478 /nfs/dbraw/zinc/30/84/78/484308478.db2.gz OWWZLUDAYREQER-UHFFFAOYSA-N -1 0 361.358 -0.243 20 0 FBADRM CC(C)NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000375587188 484314351 /nfs/dbraw/zinc/31/43/51/484314351.db2.gz ZWUCRMIRPPNVMX-MRVPVSSYSA-N -1 0 353.388 -0.215 20 0 FBADRM CC(C)NS(=O)(=O)[C@H]1CCN(S(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000375587191 484314432 /nfs/dbraw/zinc/31/44/32/484314432.db2.gz ZWUCRMIRPPNVMX-QMMMGPOBSA-N -1 0 353.388 -0.215 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2[C@H]3COC[C@H]32)cc1 ZINC000375587692 484314454 /nfs/dbraw/zinc/31/44/54/484314454.db2.gz LLGYIGUPBOSJOB-XYYAHUGASA-N -1 0 354.384 -0.328 20 0 FBADRM O=S(=O)([N-]CC(F)(F)F)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000375626952 484315065 /nfs/dbraw/zinc/31/50/65/484315065.db2.gz ZRTKTWOKQJDYRR-MRVPVSSYSA-N -1 0 365.399 -0.071 20 0 FBADRM CN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000375632537 484316848 /nfs/dbraw/zinc/31/68/48/484316848.db2.gz VEEQDDJJQGMDPX-MRVPVSSYSA-N -1 0 353.388 -0.261 20 0 FBADRM CN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000375632538 484316688 /nfs/dbraw/zinc/31/66/88/484316688.db2.gz VEEQDDJJQGMDPX-QMMMGPOBSA-N -1 0 353.388 -0.261 20 0 FBADRM Cc1cc(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)ccc1C(=O)[O-] ZINC000375651432 484317928 /nfs/dbraw/zinc/31/79/28/484317928.db2.gz NLFAYJDAPVKYHB-CHWSQXEVSA-N -1 0 354.384 -0.029 20 0 FBADRM Cc1cc(S(=O)(=O)N2CC[C@@H]3OCC(=O)N[C@@H]3C2)ccc1C(=O)[O-] ZINC000375651434 484317596 /nfs/dbraw/zinc/31/75/96/484317596.db2.gz NLFAYJDAPVKYHB-OLZOCXBDSA-N -1 0 354.384 -0.029 20 0 FBADRM Cc1cc(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@H]3C2)ccc1C(=O)[O-] ZINC000375651436 484317040 /nfs/dbraw/zinc/31/70/40/484317040.db2.gz NLFAYJDAPVKYHB-QWHCGFSZSA-N -1 0 354.384 -0.029 20 0 FBADRM CO[C@@H]1C[C@@H](CO)N(C(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)C1 ZINC000375695548 484319395 /nfs/dbraw/zinc/31/93/95/484319395.db2.gz BAXCVSYSKGQLKJ-ZMLRMANQSA-N -1 0 361.420 -0.434 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1 ZINC000375750094 484322369 /nfs/dbraw/zinc/32/23/69/484322369.db2.gz SCKNLUXJCQRMFY-BDAKNGLRSA-N -1 0 359.370 -0.160 20 0 FBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1 ZINC000375750095 484322281 /nfs/dbraw/zinc/32/22/81/484322281.db2.gz SCKNLUXJCQRMFY-IUCAKERBSA-N -1 0 359.370 -0.160 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)C1=O ZINC000375797689 484325787 /nfs/dbraw/zinc/32/57/87/484325787.db2.gz QXPFXNMFBHMEJY-SECBINFHSA-N -1 0 351.367 -0.790 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)C1=O ZINC000375797694 484325410 /nfs/dbraw/zinc/32/54/10/484325410.db2.gz QXPFXNMFBHMEJY-VIFPVBQESA-N -1 0 351.367 -0.790 20 0 FBADRM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000375799839 484327786 /nfs/dbraw/zinc/32/77/86/484327786.db2.gz WRHRLUOKBLFOPG-LLVKDONJSA-N -1 0 357.330 -0.785 20 0 FBADRM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000375799840 484328484 /nfs/dbraw/zinc/32/84/84/484328484.db2.gz WRHRLUOKBLFOPG-NSHDSACASA-N -1 0 357.330 -0.785 20 0 FBADRM CN(CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1)S(=O)(=O)c1ccccc1 ZINC000375800092 484328124 /nfs/dbraw/zinc/32/81/24/484328124.db2.gz YEODJXRTZWPUQG-GFCCVEGCSA-N -1 0 366.403 -0.580 20 0 FBADRM CN(CC(=O)N1CCO[C@H](c2nnn[n-]2)C1)S(=O)(=O)c1ccccc1 ZINC000375800093 484328036 /nfs/dbraw/zinc/32/80/36/484328036.db2.gz YEODJXRTZWPUQG-LBPRGKRZSA-N -1 0 366.403 -0.580 20 0 FBADRM CCS(=O)(=O)c1ccc2c(c1)N(CC(=O)NCC(=O)[O-])CC(=O)O2 ZINC000376213451 484344932 /nfs/dbraw/zinc/34/49/32/484344932.db2.gz YNYXJMHYYUVUGK-UHFFFAOYSA-N -1 0 356.356 -0.594 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCOC[C@H]1CC(=O)OC ZINC000376325528 484350659 /nfs/dbraw/zinc/35/06/59/484350659.db2.gz YGEILOFEBDNIRM-SECBINFHSA-N -1 0 361.376 -0.461 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCOC[C@@H]1CC(=O)OC ZINC000376325538 484350139 /nfs/dbraw/zinc/35/01/39/484350139.db2.gz YGEILOFEBDNIRM-VIFPVBQESA-N -1 0 361.376 -0.461 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000376519169 484323489 /nfs/dbraw/zinc/32/34/89/484323489.db2.gz HIDVNFLQSBCNAB-DCAQKATOSA-N -1 0 350.393 -0.567 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC000376519171 484322879 /nfs/dbraw/zinc/32/28/79/484322879.db2.gz HIDVNFLQSBCNAB-GARJFASQSA-N -1 0 350.393 -0.567 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@H](OC)C[C@@H]1C(=O)[O-] ZINC000376519173 484322543 /nfs/dbraw/zinc/32/25/43/484322543.db2.gz HIDVNFLQSBCNAB-OUAUKWLOSA-N -1 0 350.393 -0.567 20 0 FBADRM CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000376522189 484323717 /nfs/dbraw/zinc/32/37/17/484323717.db2.gz VSKOBANUEMFDDM-GZMMTYOYSA-N -1 0 356.356 -0.006 20 0 FBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000376522190 484323114 /nfs/dbraw/zinc/32/31/14/484323114.db2.gz VSKOBANUEMFDDM-KWQFWETISA-N -1 0 356.356 -0.006 20 0 FBADRM CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000376522191 484323316 /nfs/dbraw/zinc/32/33/16/484323316.db2.gz VSKOBANUEMFDDM-LDYMZIIASA-N -1 0 356.356 -0.006 20 0 FBADRM Cc1nc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])c(Br)n1C ZINC000376612556 484324431 /nfs/dbraw/zinc/32/44/31/484324431.db2.gz MLJRBBKPYAHOSS-NKWVEPMBSA-N -1 0 368.209 -0.300 20 0 FBADRM CN1CCN(C(=O)[C@@H]2CCCN2C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC000376666672 484366769 /nfs/dbraw/zinc/36/67/69/484366769.db2.gz LEGMAEQEQFTUGJ-JTQLQIEISA-N -1 0 354.436 -0.633 20 0 FBADRM CN1CCN(C(=O)[C@H]2CCCN2C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC000376666673 484367335 /nfs/dbraw/zinc/36/73/35/484367335.db2.gz LEGMAEQEQFTUGJ-SNVBAGLBSA-N -1 0 354.436 -0.633 20 0 FBADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)cn1C ZINC000376669202 484367348 /nfs/dbraw/zinc/36/73/48/484367348.db2.gz CFPHMAQYICAAAN-AWEZNQCLSA-N -1 0 374.371 -0.707 20 0 FBADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)cn1C ZINC000376669206 484367411 /nfs/dbraw/zinc/36/74/11/484367411.db2.gz CFPHMAQYICAAAN-CQSZACIVSA-N -1 0 374.371 -0.707 20 0 FBADRM COc1cncc(N2CCN(C(=O)CSc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000376675671 484367136 /nfs/dbraw/zinc/36/71/36/484367136.db2.gz XNSAFUNZAYPFNB-UHFFFAOYSA-N -1 0 351.392 -0.250 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCN([C@H]2CCCCNC2=O)CC1 ZINC000376678186 484367563 /nfs/dbraw/zinc/36/75/63/484367563.db2.gz HBCFLQVSUZIHAX-JTQLQIEISA-N -1 0 354.436 -0.585 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000376678187 484367399 /nfs/dbraw/zinc/36/73/99/484367399.db2.gz HBCFLQVSUZIHAX-SNVBAGLBSA-N -1 0 354.436 -0.585 20 0 FBADRM NC(=O)C1(N2CCN(C(=O)CSc3n[nH]c(=O)[n-]3)CC2)CCCCC1 ZINC000376687401 484367417 /nfs/dbraw/zinc/36/74/17/484367417.db2.gz LFYRBXWETPTYDL-UHFFFAOYSA-N -1 0 368.463 -0.065 20 0 FBADRM Cc1nn(C)c(=O)c(C(=O)N2CSC[C@H]2C(=O)N[C@@H](C)C(=O)[O-])c1C ZINC000376696525 484369307 /nfs/dbraw/zinc/36/93/07/484369307.db2.gz YWYLUELWVMFIKN-UWVGGRQHSA-N -1 0 368.415 -0.498 20 0 FBADRM Cc1nn(C)c(=O)c(C(=O)N2CSC[C@@H]2C(=O)N[C@@H](C)C(=O)[O-])c1C ZINC000376696531 484369854 /nfs/dbraw/zinc/36/98/54/484369854.db2.gz YWYLUELWVMFIKN-VHSXEESVSA-N -1 0 368.415 -0.498 20 0 FBADRM C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000376726450 484371401 /nfs/dbraw/zinc/37/14/01/484371401.db2.gz UEWTTYGHOKQJHB-VXGBXAGGSA-N -1 0 354.432 -0.264 20 0 FBADRM CCN1CCO[C@@H](CN2CCN(C(=O)CSc3n[nH]c(=O)[n-]3)CC2)C1 ZINC000376735723 484370494 /nfs/dbraw/zinc/37/04/94/484370494.db2.gz QGJVLHLHNSMZKK-GFCCVEGCSA-N -1 0 370.479 -0.533 20 0 FBADRM CCN1CCO[C@H](CN2CCN(C(=O)CSc3n[nH]c(=O)[n-]3)CC2)C1 ZINC000376735725 484370530 /nfs/dbraw/zinc/37/05/30/484370530.db2.gz QGJVLHLHNSMZKK-LBPRGKRZSA-N -1 0 370.479 -0.533 20 0 FBADRM O=C([O-])[C@@]1(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CCOC1 ZINC000376737725 484371269 /nfs/dbraw/zinc/37/12/69/484371269.db2.gz BKEBXNBOFYEDSU-CYBMUJFWSA-N -1 0 355.328 -0.437 20 0 FBADRM O=C([O-])[C@]1(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CCOC1 ZINC000376737729 484370605 /nfs/dbraw/zinc/37/06/05/484370605.db2.gz BKEBXNBOFYEDSU-ZDUSSCGKSA-N -1 0 355.328 -0.437 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)N[C@@]3(C(=O)[O-])CCOC3)cc2C1=O ZINC000376740245 484370393 /nfs/dbraw/zinc/37/03/93/484370393.db2.gz RVOIPYOAMHUXEL-AWEZNQCLSA-N -1 0 354.340 -0.566 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)N[C@]3(C(=O)[O-])CCOC3)cc2C1=O ZINC000376740246 484370284 /nfs/dbraw/zinc/37/02/84/484370284.db2.gz RVOIPYOAMHUXEL-CQSZACIVSA-N -1 0 354.340 -0.566 20 0 FBADRM CN1C(=O)N[C@@]2(CCC[C@@H]2CNS(=O)(=O)[N-]CC(F)(F)F)C1=O ZINC000376756384 484371177 /nfs/dbraw/zinc/37/11/77/484371177.db2.gz ZBKPUADLQCJUNC-GMSGAONNSA-N -1 0 358.342 -0.307 20 0 FBADRM CN1C(=O)N[C@@]2(CCC[C@H]2CNS(=O)(=O)[N-]CC(F)(F)F)C1=O ZINC000376756385 484371066 /nfs/dbraw/zinc/37/10/66/484371066.db2.gz ZBKPUADLQCJUNC-OIBJUYFYSA-N -1 0 358.342 -0.307 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNS(=O)(=O)[N-]CC(F)(F)F)C1=O ZINC000376756386 484370570 /nfs/dbraw/zinc/37/05/70/484370570.db2.gz ZBKPUADLQCJUNC-XCBNKYQSSA-N -1 0 358.342 -0.307 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNS(=O)(=O)[N-]CC(F)(F)F)C1=O ZINC000376756387 484371030 /nfs/dbraw/zinc/37/10/30/484371030.db2.gz ZBKPUADLQCJUNC-XVKPBYJWSA-N -1 0 358.342 -0.307 20 0 FBADRM CN(CCS(=O)(=O)CC(=O)[O-])[C@@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000376762971 484373342 /nfs/dbraw/zinc/37/33/42/484373342.db2.gz ATGCJTUWNMBMTB-CYBMUJFWSA-N -1 0 368.411 -0.255 20 0 FBADRM CN(CCS(=O)(=O)CC(=O)[O-])[C@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000376762973 484372608 /nfs/dbraw/zinc/37/26/08/484372608.db2.gz ATGCJTUWNMBMTB-ZDUSSCGKSA-N -1 0 368.411 -0.255 20 0 FBADRM CN1CCN(C(=O)[C@@H]2CCCN(C(=O)CSc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000376778763 484373178 /nfs/dbraw/zinc/37/31/78/484373178.db2.gz PMQCWNAXPBJUPW-LLVKDONJSA-N -1 0 368.463 -0.385 20 0 FBADRM CN1CCN(C(=O)[C@H]2CCCN(C(=O)CSc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000376778768 484372620 /nfs/dbraw/zinc/37/26/20/484372620.db2.gz PMQCWNAXPBJUPW-NSHDSACASA-N -1 0 368.463 -0.385 20 0 FBADRM CON(C)S(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000376789113 484374818 /nfs/dbraw/zinc/37/48/18/484374818.db2.gz FHUWDOFSEGZDIM-GFCCVEGCSA-N -1 0 358.372 -0.206 20 0 FBADRM CON(C)S(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000376789114 484374089 /nfs/dbraw/zinc/37/40/89/484374089.db2.gz FHUWDOFSEGZDIM-LBPRGKRZSA-N -1 0 358.372 -0.206 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)CCO1 ZINC000376789765 484373975 /nfs/dbraw/zinc/37/39/75/484373975.db2.gz LVKSBZZWUXEVFO-AWEZNQCLSA-N -1 0 371.349 -0.064 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)CCO1 ZINC000376789766 484374386 /nfs/dbraw/zinc/37/43/86/484374386.db2.gz LVKSBZZWUXEVFO-CQSZACIVSA-N -1 0 371.349 -0.064 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCNC[C@@H]3C(F)F)cc-2c(=O)[n-]1 ZINC000376796306 484374794 /nfs/dbraw/zinc/37/47/94/484374794.db2.gz MARIFOUAAJGRKX-MRVPVSSYSA-N -1 0 361.330 -0.336 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCNC[C@H]3C(F)F)cc-2c(=O)[n-]1 ZINC000376796307 484374980 /nfs/dbraw/zinc/37/49/80/484374980.db2.gz MARIFOUAAJGRKX-QMMMGPOBSA-N -1 0 361.330 -0.336 20 0 FBADRM Cn1cc([C@@H](NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C(=O)[O-])cn1 ZINC000376939230 484382823 /nfs/dbraw/zinc/38/28/23/484382823.db2.gz KCZJPNYLQREPMH-CYBMUJFWSA-N -1 0 364.383 -0.190 20 0 FBADRM Cn1cc([C@H](NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C(=O)[O-])cn1 ZINC000376939231 484382422 /nfs/dbraw/zinc/38/24/22/484382422.db2.gz KCZJPNYLQREPMH-ZDUSSCGKSA-N -1 0 364.383 -0.190 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000376974254 484384283 /nfs/dbraw/zinc/38/42/83/484384283.db2.gz KTEKHOHDXPIFMN-UHFFFAOYSA-N -1 0 361.449 -0.325 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCCN(S(N)(=O)=O)CC1 ZINC000377043719 484388851 /nfs/dbraw/zinc/38/88/51/484388851.db2.gz YQZPYXGYEIJFDQ-VIFPVBQESA-N -1 0 374.385 -0.573 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)NC1(C(=O)[O-])COC1)OCC(=O)N2 ZINC000377086853 484391657 /nfs/dbraw/zinc/39/16/57/484391657.db2.gz QCUUIIDNRTXEDF-UHFFFAOYSA-N -1 0 358.328 -0.842 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])c1 ZINC000377118719 484392566 /nfs/dbraw/zinc/39/25/66/484392566.db2.gz YZLJTBBXBOZFLR-AAEUAGOBSA-N -1 0 372.399 -0.729 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000377118721 484392485 /nfs/dbraw/zinc/39/24/85/484392485.db2.gz YZLJTBBXBOZFLR-WCQYABFASA-N -1 0 372.399 -0.729 20 0 FBADRM CCS(=O)(=O)c1ccc2c(c1)N(CC(=O)N(C)CC(=O)[O-])CC(=O)O2 ZINC000377140448 484392523 /nfs/dbraw/zinc/39/25/23/484392523.db2.gz CKOMEJCEFCDNER-UHFFFAOYSA-N -1 0 370.383 -0.251 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC[C@@H](n2cc(C(=O)[O-])cn2)C1 ZINC000377140470 484392383 /nfs/dbraw/zinc/39/23/83/484392383.db2.gz CXQWNJDXAZTBQA-GFCCVEGCSA-N -1 0 374.419 -0.042 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC[C@H](n2cc(C(=O)[O-])cn2)C1 ZINC000377140471 484393118 /nfs/dbraw/zinc/39/31/18/484393118.db2.gz CXQWNJDXAZTBQA-LBPRGKRZSA-N -1 0 374.419 -0.042 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C(C)C ZINC000377151217 484391955 /nfs/dbraw/zinc/39/19/55/484391955.db2.gz CHXRUGJTQPEXAH-GHMZBOCLSA-N -1 0 356.466 -0.313 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C(C)C ZINC000377151220 484392921 /nfs/dbraw/zinc/39/29/21/484392921.db2.gz CHXRUGJTQPEXAH-MNOVXSKESA-N -1 0 356.466 -0.313 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C(C)C ZINC000377151221 484393673 /nfs/dbraw/zinc/39/36/73/484393673.db2.gz CHXRUGJTQPEXAH-QWRGUYRKSA-N -1 0 356.466 -0.313 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]1C(C)C ZINC000377151223 484393534 /nfs/dbraw/zinc/39/35/34/484393534.db2.gz CHXRUGJTQPEXAH-WDEREUQCSA-N -1 0 356.466 -0.313 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCC(F)(F)[C@H](C(=O)[O-])C1 ZINC000377151652 484394501 /nfs/dbraw/zinc/39/45/01/484394501.db2.gz DMDSTNHXJHTJDL-JTQLQIEISA-N -1 0 360.379 -0.132 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCC(F)(F)[C@@H](C(=O)[O-])C1 ZINC000377151657 484394253 /nfs/dbraw/zinc/39/42/53/484394253.db2.gz DMDSTNHXJHTJDL-SNVBAGLBSA-N -1 0 360.379 -0.132 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)ccc1[O-] ZINC000377222881 484395996 /nfs/dbraw/zinc/39/59/96/484395996.db2.gz NUQMDMWKESARFE-GFCCVEGCSA-N -1 0 354.432 -0.371 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)ccc1[O-] ZINC000377222883 484395723 /nfs/dbraw/zinc/39/57/23/484395723.db2.gz NUQMDMWKESARFE-LBPRGKRZSA-N -1 0 354.432 -0.371 20 0 FBADRM CNC(=O)CN1CCc2ccc(NC(=O)C(=O)[N-]OCCCOC)cc21 ZINC000377251277 484397764 /nfs/dbraw/zinc/39/77/64/484397764.db2.gz UINHZTFAEBMHGM-UHFFFAOYSA-N -1 0 364.402 -0.182 20 0 FBADRM CCN(C(=O)CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000377484954 484407499 /nfs/dbraw/zinc/40/74/99/484407499.db2.gz NBOJONGUTAZTMN-NEPJUHHUSA-N -1 0 371.463 -0.275 20 0 FBADRM CCN(C(=O)CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000377484955 484407712 /nfs/dbraw/zinc/40/77/12/484407712.db2.gz NBOJONGUTAZTMN-NWDGAFQWSA-N -1 0 371.463 -0.275 20 0 FBADRM CCN(C(=O)CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000377484956 484407885 /nfs/dbraw/zinc/40/78/85/484407885.db2.gz NBOJONGUTAZTMN-RYUDHWBXSA-N -1 0 371.463 -0.275 20 0 FBADRM CCN(C(=O)CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000377484957 484407453 /nfs/dbraw/zinc/40/74/53/484407453.db2.gz NBOJONGUTAZTMN-VXGBXAGGSA-N -1 0 371.463 -0.275 20 0 FBADRM CC(C)(CNC(=O)CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)N1CCOCC1 ZINC000377487069 484408122 /nfs/dbraw/zinc/40/81/22/484408122.db2.gz WVGJFLAWUKARPS-CYBMUJFWSA-N -1 0 366.466 -0.083 20 0 FBADRM CC(C)(CNC(=O)CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)N1CCOCC1 ZINC000377487449 484407360 /nfs/dbraw/zinc/40/73/60/484407360.db2.gz WVGJFLAWUKARPS-ZDUSSCGKSA-N -1 0 366.466 -0.083 20 0 FBADRM O=C(CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)N1CCN(c2cnccn2)CC1 ZINC000377522064 484409481 /nfs/dbraw/zinc/40/94/81/484409481.db2.gz BGJCVJUGXLDVCU-CYBMUJFWSA-N -1 0 372.433 -0.172 20 0 FBADRM O=C(CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)N1CCN(c2cnccn2)CC1 ZINC000377522065 484409847 /nfs/dbraw/zinc/40/98/47/484409847.db2.gz BGJCVJUGXLDVCU-ZDUSSCGKSA-N -1 0 372.433 -0.172 20 0 FBADRM CN(CC(=O)N1CCOCC1)C(=O)CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000377522853 484409275 /nfs/dbraw/zinc/40/92/75/484409275.db2.gz GQHTWJONPKUEKJ-GFCCVEGCSA-N -1 0 366.422 -0.993 20 0 FBADRM CN(CC(=O)N1CCOCC1)C(=O)CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000377522858 484410002 /nfs/dbraw/zinc/41/00/02/484410002.db2.gz GQHTWJONPKUEKJ-LBPRGKRZSA-N -1 0 366.422 -0.993 20 0 FBADRM CN(CCCNC(=O)CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)S(C)(=O)=O ZINC000377524345 484409853 /nfs/dbraw/zinc/40/98/53/484409853.db2.gz MLDMZVOBANICSR-LLVKDONJSA-N -1 0 374.467 -0.913 20 0 FBADRM CN(CCCNC(=O)CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)S(C)(=O)=O ZINC000377524347 484409565 /nfs/dbraw/zinc/40/95/65/484409565.db2.gz MLDMZVOBANICSR-NSHDSACASA-N -1 0 374.467 -0.913 20 0 FBADRM CCN1CCN(CC(=O)N2CCC(c3n[n-]c(=S)o3)CC2)C(=O)C1=O ZINC000377552413 484410774 /nfs/dbraw/zinc/41/07/74/484410774.db2.gz GJRIHKNGYKTEIB-UHFFFAOYSA-N -1 0 367.431 -0.245 20 0 FBADRM Cn1cc(S(=O)(=O)NCCN2CCC(c3n[nH]c(=O)[n-]3)CC2)cn1 ZINC000377580174 484412953 /nfs/dbraw/zinc/41/29/53/484412953.db2.gz BNOUYJXWIYCCNO-UHFFFAOYSA-N -1 0 355.424 -0.598 20 0 FBADRM Cn1cc(S(=O)(=O)NCCN2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cn1 ZINC000377588920 484412677 /nfs/dbraw/zinc/41/26/77/484412677.db2.gz XCMYRSRVOWEKCE-JTQLQIEISA-N -1 0 355.424 -0.598 20 0 FBADRM Cn1cc(S(=O)(=O)NCCN2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cn1 ZINC000377588921 484412570 /nfs/dbraw/zinc/41/25/70/484412570.db2.gz XCMYRSRVOWEKCE-SNVBAGLBSA-N -1 0 355.424 -0.598 20 0 FBADRM CCOc1ccccc1C(=O)NCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000377599957 484414889 /nfs/dbraw/zinc/41/48/89/484414889.db2.gz KPRVKBLMHJPQTF-CYBMUJFWSA-N -1 0 360.374 -0.072 20 0 FBADRM CCOc1ccccc1C(=O)NCC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000377599959 484414586 /nfs/dbraw/zinc/41/45/86/484414586.db2.gz KPRVKBLMHJPQTF-ZDUSSCGKSA-N -1 0 360.374 -0.072 20 0 FBADRM Cn1c2ccccc2n(CCC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1=O ZINC000377605425 484414263 /nfs/dbraw/zinc/41/42/63/484414263.db2.gz GDZIGTXBNGIZGI-CYBMUJFWSA-N -1 0 357.374 -0.157 20 0 FBADRM Cn1c2ccccc2n(CCC(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1=O ZINC000377605427 484414965 /nfs/dbraw/zinc/41/49/65/484414965.db2.gz GDZIGTXBNGIZGI-ZDUSSCGKSA-N -1 0 357.374 -0.157 20 0 FBADRM CCn1c(N)c(C(=O)CN2CCC(c3n[nH]c(=O)[n-]3)CC2)c(=O)[nH]c1=O ZINC000377607136 484414557 /nfs/dbraw/zinc/41/45/57/484414557.db2.gz PIEYLIXCWCKMAB-UHFFFAOYSA-N -1 0 363.378 -0.563 20 0 FBADRM Cc1ccc(CNC(=O)NCC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1 ZINC000377607178 484414523 /nfs/dbraw/zinc/41/45/23/484414523.db2.gz JUHIQJCZMQTRDO-CYBMUJFWSA-N -1 0 359.390 -0.093 20 0 FBADRM Cc1ccc(CNC(=O)NCC(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1 ZINC000377607181 484414236 /nfs/dbraw/zinc/41/42/36/484414236.db2.gz JUHIQJCZMQTRDO-ZDUSSCGKSA-N -1 0 359.390 -0.093 20 0 FBADRM CCn1c(N)c(C(=O)CN2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c(=O)[nH]c1=O ZINC000377607342 484413928 /nfs/dbraw/zinc/41/39/28/484413928.db2.gz OIYBQQWMXIXLII-MRVPVSSYSA-N -1 0 363.378 -0.563 20 0 FBADRM CCn1c(N)c(C(=O)CN2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c(=O)[nH]c1=O ZINC000377607343 484414936 /nfs/dbraw/zinc/41/49/36/484414936.db2.gz OIYBQQWMXIXLII-QMMMGPOBSA-N -1 0 363.378 -0.563 20 0 FBADRM CN(CC(=O)N1CCOCC1)C(=O)CN1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000377608745 484414141 /nfs/dbraw/zinc/41/41/41/484414141.db2.gz WGGZFIQMIVCSKO-UHFFFAOYSA-N -1 0 366.422 -0.993 20 0 FBADRM O=C(c1ccccc1)N1CC(S(=O)(=O)NCCc2nc(=O)o[n-]2)C1 ZINC000377645450 484416497 /nfs/dbraw/zinc/41/64/97/484416497.db2.gz QDWUSPLMILLJGK-UHFFFAOYSA-N -1 0 352.372 -0.651 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N[C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000377771003 484424137 /nfs/dbraw/zinc/42/41/37/484424137.db2.gz CTGVVQAGLQCNNZ-NEPJUHHUSA-N -1 0 355.478 -0.339 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N[C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000377771006 484423963 /nfs/dbraw/zinc/42/39/63/484423963.db2.gz CTGVVQAGLQCNNZ-NWDGAFQWSA-N -1 0 355.478 -0.339 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N[C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000377771008 484424156 /nfs/dbraw/zinc/42/41/56/484424156.db2.gz CTGVVQAGLQCNNZ-RYUDHWBXSA-N -1 0 355.478 -0.339 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N[C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000377771011 484424567 /nfs/dbraw/zinc/42/45/67/484424567.db2.gz CTGVVQAGLQCNNZ-VXGBXAGGSA-N -1 0 355.478 -0.339 20 0 FBADRM Cc1nc(CN2CCC[C@@H](N(C)C(=O)Cn3[n-]c(=O)ccc3=O)C2)no1 ZINC000377887914 484428378 /nfs/dbraw/zinc/42/83/78/484428378.db2.gz NIHSEUKNVOSSGO-GFCCVEGCSA-N -1 0 362.390 -0.237 20 0 FBADRM Cc1nc(CN2CCC[C@H](N(C)C(=O)Cn3[n-]c(=O)ccc3=O)C2)no1 ZINC000377887915 484428705 /nfs/dbraw/zinc/42/87/05/484428705.db2.gz NIHSEUKNVOSSGO-LBPRGKRZSA-N -1 0 362.390 -0.237 20 0 FBADRM O=C(Cn1[n-]c(=O)ccc1=O)NC1CCC(N2CCCS2(=O)=O)CC1 ZINC000377930334 484431263 /nfs/dbraw/zinc/43/12/63/484431263.db2.gz CNKXHUDVQBRXRL-UHFFFAOYSA-N -1 0 370.431 -0.588 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)Nc1n[nH]c(-c2c(F)cccc2F)n1 ZINC000377971349 484432811 /nfs/dbraw/zinc/43/28/11/484432811.db2.gz XETXTCDGUSXDJL-UHFFFAOYSA-N -1 0 352.301 -0.059 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N(C)C1(C(=O)[O-])CCOCC1 ZINC000377996865 484435091 /nfs/dbraw/zinc/43/50/91/484435091.db2.gz FPKZFKHWRMRTOT-LLVKDONJSA-N -1 0 364.420 -0.176 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N(C)C1(C(=O)[O-])CCOCC1 ZINC000377996872 484434198 /nfs/dbraw/zinc/43/41/98/484434198.db2.gz FPKZFKHWRMRTOT-NSHDSACASA-N -1 0 364.420 -0.176 20 0 FBADRM C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000377998132 484434930 /nfs/dbraw/zinc/43/49/30/484434930.db2.gz GTEDTFMRSKFRAQ-CHWSQXEVSA-N -1 0 371.463 -0.980 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N(C)C1(C(=O)[O-])CCOCC1 ZINC000378002194 484436696 /nfs/dbraw/zinc/43/66/96/484436696.db2.gz KCJVMTVSFGKZGE-UHFFFAOYSA-N -1 0 361.376 -0.159 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N(C)C2(C(=O)[O-])CCOCC2)CC1 ZINC000378003952 484436197 /nfs/dbraw/zinc/43/61/97/484436197.db2.gz LMVUYBFJLSKWDI-UHFFFAOYSA-N -1 0 364.420 -0.318 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N(C)C2(C(=O)[O-])CCOCC2)cn1C ZINC000378021479 484436122 /nfs/dbraw/zinc/43/61/22/484436122.db2.gz DSXYNDRXTUGCRZ-UHFFFAOYSA-N -1 0 359.404 -0.361 20 0 FBADRM CNC(=O)c1cc(O[C@@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C2)ccn1 ZINC000378050486 484437851 /nfs/dbraw/zinc/43/78/51/484437851.db2.gz AUCOJNJJQBHHEH-LLVKDONJSA-N -1 0 373.369 -0.466 20 0 FBADRM CNC(=O)c1cc(O[C@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C2)ccn1 ZINC000378050489 484437787 /nfs/dbraw/zinc/43/77/87/484437787.db2.gz AUCOJNJJQBHHEH-NSHDSACASA-N -1 0 373.369 -0.466 20 0 FBADRM Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC[C@@H]1C(=O)N(C)CC(=O)[O-] ZINC000378175463 484444687 /nfs/dbraw/zinc/44/46/87/484444687.db2.gz PQNXXALYHRTQOF-MRVPVSSYSA-N -1 0 363.417 -0.147 20 0 FBADRM Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC[C@H]1C(=O)N(C)CC(=O)[O-] ZINC000378175465 484444385 /nfs/dbraw/zinc/44/43/85/484444385.db2.gz PQNXXALYHRTQOF-QMMMGPOBSA-N -1 0 363.417 -0.147 20 0 FBADRM CC(C)[C@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)N1CCCS1(=O)=O ZINC000378206085 484446447 /nfs/dbraw/zinc/44/64/47/484446447.db2.gz YJJWOGQETKBEDB-GHMZBOCLSA-N -1 0 358.424 -0.840 20 0 FBADRM CC(C)[C@@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)N1CCCS1(=O)=O ZINC000378206125 484446050 /nfs/dbraw/zinc/44/60/50/484446050.db2.gz YJJWOGQETKBEDB-MNOVXSKESA-N -1 0 358.424 -0.840 20 0 FBADRM CC(C)[C@@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)N1CCCS1(=O)=O ZINC000378206128 484446002 /nfs/dbraw/zinc/44/60/02/484446002.db2.gz YJJWOGQETKBEDB-QWRGUYRKSA-N -1 0 358.424 -0.840 20 0 FBADRM CC(C)[C@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)N1CCCS1(=O)=O ZINC000378206133 484445521 /nfs/dbraw/zinc/44/55/21/484445521.db2.gz YJJWOGQETKBEDB-WDEREUQCSA-N -1 0 358.424 -0.840 20 0 FBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000378238830 484447476 /nfs/dbraw/zinc/44/74/76/484447476.db2.gz ZMCLPPPQCDTVMV-KBPBESRZSA-N -1 0 355.435 -0.121 20 0 FBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000378238835 484448028 /nfs/dbraw/zinc/44/80/28/484448028.db2.gz ZMCLPPPQCDTVMV-KGLIPLIRSA-N -1 0 355.435 -0.121 20 0 FBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000378238836 484447969 /nfs/dbraw/zinc/44/79/69/484447969.db2.gz ZMCLPPPQCDTVMV-UONOGXRCSA-N -1 0 355.435 -0.121 20 0 FBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000378238838 484447269 /nfs/dbraw/zinc/44/72/69/484447269.db2.gz ZMCLPPPQCDTVMV-ZIAGYGMSSA-N -1 0 355.435 -0.121 20 0 FBADRM CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000378460031 484123662 /nfs/dbraw/zinc/12/36/62/484123662.db2.gz UKVHFSLQQVKBPX-JTQLQIEISA-N -1 0 354.363 0.542 20 0 FBADRM CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000378460032 484123886 /nfs/dbraw/zinc/12/38/86/484123886.db2.gz UKVHFSLQQVKBPX-SNVBAGLBSA-N -1 0 354.363 0.542 20 0 FBADRM COC[C@](C)(NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)C(=O)[O-] ZINC000378465631 484456892 /nfs/dbraw/zinc/45/68/92/484456892.db2.gz YIKYIXOKPUIFKV-DOMZBBRYSA-N -1 0 372.399 -0.181 20 0 FBADRM COC[C@@](C)(NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)C(=O)[O-] ZINC000378465633 484456440 /nfs/dbraw/zinc/45/64/40/484456440.db2.gz YIKYIXOKPUIFKV-IUODEOHRSA-N -1 0 372.399 -0.181 20 0 FBADRM COC[C@@](C)(NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)C(=O)[O-] ZINC000378465635 484456455 /nfs/dbraw/zinc/45/64/55/484456455.db2.gz YIKYIXOKPUIFKV-SWLSCSKDSA-N -1 0 372.399 -0.181 20 0 FBADRM COC[C@](C)(NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)C(=O)[O-] ZINC000378465637 484456275 /nfs/dbraw/zinc/45/62/75/484456275.db2.gz YIKYIXOKPUIFKV-WFASDCNBSA-N -1 0 372.399 -0.181 20 0 FBADRM COCc1nc(=N[C@@H]2CCCN(CCN3CCOCC3)C2=O)s[n-]1 ZINC000378572024 484461579 /nfs/dbraw/zinc/46/15/79/484461579.db2.gz RPTLNZHHNQGNBB-GFCCVEGCSA-N -1 0 355.464 -0.159 20 0 FBADRM COCc1nc(=N[C@H]2CCCN(CCN3CCOCC3)C2=O)s[n-]1 ZINC000378572025 484461746 /nfs/dbraw/zinc/46/17/46/484461746.db2.gz RPTLNZHHNQGNBB-LBPRGKRZSA-N -1 0 355.464 -0.159 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)[O-] ZINC000379250496 484822681 /nfs/dbraw/zinc/82/26/81/484822681.db2.gz FBJYWDBBEVGMJC-MRVPVSSYSA-N -1 0 358.328 -0.574 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC000379266436 484490542 /nfs/dbraw/zinc/49/05/42/484490542.db2.gz RJHUALQMJAIZPN-SECBINFHSA-N -1 0 358.328 -0.688 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)C(=O)[O-] ZINC000379268638 839173012 /nfs/dbraw/zinc/17/30/12/839173012.db2.gz SZPMFSWRJKKECS-SNVBAGLBSA-N -1 0 356.356 -0.500 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@H](CC(=O)OC)C(=O)[O-])CC1 ZINC000379272631 484488195 /nfs/dbraw/zinc/48/81/95/484488195.db2.gz XBWVGTDRJKXHPU-SNVBAGLBSA-N -1 0 366.392 -0.888 20 0 FBADRM CC[C@@H](NS(=O)(=O)c1cc(CC(=O)[O-])cc(OC)c1OC)C(N)=O ZINC000379300524 839194763 /nfs/dbraw/zinc/19/47/63/839194763.db2.gz PGDZGTXYQFRCBV-SECBINFHSA-N -1 0 360.388 -0.127 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NCCn2ncnn2)c(Br)o1 ZINC000380099992 602210595 /nfs/dbraw/zinc/21/05/95/602210595.db2.gz WZRQMNVLHVVJEX-UHFFFAOYSA-N -1 0 366.153 -0.295 20 0 FBADRM COc1cc(CC(=O)[O-])cc(S(=O)(=O)NCCn2cncn2)c1OC ZINC000381690530 842113295 /nfs/dbraw/zinc/11/32/95/842113295.db2.gz LXIYZISFHUTFAR-UHFFFAOYSA-N -1 0 370.387 -0.099 20 0 FBADRM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000386187075 484356303 /nfs/dbraw/zinc/35/63/03/484356303.db2.gz VMVKYTTVPQMZJM-SECBINFHSA-N -1 0 351.402 -0.139 20 0 FBADRM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000386187077 484356675 /nfs/dbraw/zinc/35/66/75/484356675.db2.gz VMVKYTTVPQMZJM-VIFPVBQESA-N -1 0 351.402 -0.139 20 0 FBADRM O=C([O-])CNC(=O)CNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000386357971 842184264 /nfs/dbraw/zinc/18/42/64/842184264.db2.gz CKPRPCVASXRNSQ-UHFFFAOYSA-N -1 0 372.175 -0.504 20 0 FBADRM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCNS(C)(=O)=O ZINC000386386796 484361764 /nfs/dbraw/zinc/36/17/64/484361764.db2.gz JGXHDRRIAICXNK-UHFFFAOYSA-N -1 0 350.418 -0.225 20 0 FBADRM COc1ccc(S(=O)(=O)NCCNS(C)(=O)=O)cc1C(=O)[O-] ZINC000386434840 484363042 /nfs/dbraw/zinc/36/30/42/484363042.db2.gz RNWMFVFULSHWBZ-UHFFFAOYSA-N -1 0 352.390 -0.779 20 0 FBADRM O=C([O-])C1(O)CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000386442172 604702981 /nfs/dbraw/zinc/70/29/81/604702981.db2.gz KLHOLTHOWMHTLP-UHFFFAOYSA-N -1 0 356.356 -0.382 20 0 FBADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)NCCNS(C)(=O)=O ZINC000386464397 484364753 /nfs/dbraw/zinc/36/47/53/484364753.db2.gz XHVJANXCFWAPHE-UHFFFAOYSA-N -1 0 352.390 -0.774 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000386634157 600707754 /nfs/dbraw/zinc/70/77/54/600707754.db2.gz VICGLMRPMAUATM-MRVPVSSYSA-N -1 0 351.406 -0.585 20 0 FBADRM CS(=O)(=O)N[C@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000386634165 600707762 /nfs/dbraw/zinc/70/77/62/600707762.db2.gz VICGLMRPMAUATM-QMMMGPOBSA-N -1 0 351.406 -0.585 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c(Cl)c1 ZINC000386916988 484373859 /nfs/dbraw/zinc/37/38/59/484373859.db2.gz CZMHSHARVGWAKF-OCAPTIKFSA-N -1 0 358.759 -0.069 20 0 FBADRM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000386933878 842190802 /nfs/dbraw/zinc/19/08/02/842190802.db2.gz GFBIUJPVHRCFHZ-OCAPTIKFSA-N -1 0 358.759 -0.069 20 0 FBADRM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000386940513 484373801 /nfs/dbraw/zinc/37/38/01/484373801.db2.gz HHYZWMLBTSNKAX-DTORHVGOSA-N -1 0 356.331 -0.275 20 0 FBADRM CS(=O)(=O)CCCNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000386948764 484233479 /nfs/dbraw/zinc/23/34/79/484233479.db2.gz SQTIOPDYVVQOOD-UHFFFAOYSA-N -1 0 351.402 -0.137 20 0 FBADRM COc1cc(S(=O)(=O)N2CC(=O)N[C@H](C)C2)cc(C(=O)[O-])c1OC ZINC000386975813 484373743 /nfs/dbraw/zinc/37/37/43/484373743.db2.gz COFSRXOCHZVZLU-MRVPVSSYSA-N -1 0 358.372 -0.089 20 0 FBADRM COc1cc(S(=O)(=O)N2CC(=O)N[C@@H](C)C2)cc(C(=O)[O-])c1OC ZINC000386975815 484373815 /nfs/dbraw/zinc/37/38/15/484373815.db2.gz COFSRXOCHZVZLU-QMMMGPOBSA-N -1 0 358.372 -0.089 20 0 FBADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1C ZINC000387014912 484372888 /nfs/dbraw/zinc/37/28/88/484372888.db2.gz RENAWAYUIZSHRB-PHIMTYICSA-N -1 0 352.368 -0.105 20 0 FBADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000387015029 484373812 /nfs/dbraw/zinc/37/38/12/484373812.db2.gz RGXQLSOMPCSCSK-DTORHVGOSA-N -1 0 354.340 -0.708 20 0 FBADRM Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1C(=O)[O-] ZINC000387051581 484373629 /nfs/dbraw/zinc/37/36/29/484373629.db2.gz VYAKZTPVXDCFBA-PHIMTYICSA-N -1 0 352.368 -0.105 20 0 FBADRM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000387072023 484373796 /nfs/dbraw/zinc/37/37/96/484373796.db2.gz YFEVEBHSIBDGKI-PHIMTYICSA-N -1 0 352.368 -0.160 20 0 FBADRM CC(C)(CNS(=O)(=O)c1ccc(C(=O)[O-])cc1)NS(C)(=O)=O ZINC000387143014 484374316 /nfs/dbraw/zinc/37/43/16/484374316.db2.gz DNNDDJCKTBHPGZ-UHFFFAOYSA-N -1 0 350.418 -0.009 20 0 FBADRM CCCS(=O)(=O)N1CCC(NS(=O)(=O)CCCC(=O)[O-])CC1 ZINC000387280939 484380943 /nfs/dbraw/zinc/38/09/43/484380943.db2.gz IYFLGVZDKWNYJG-UHFFFAOYSA-N -1 0 356.466 -0.025 20 0 FBADRM COC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000387420679 600014845 /nfs/dbraw/zinc/01/48/45/600014845.db2.gz GCXZMVJDTLTALX-UHFFFAOYSA-N -1 0 351.358 -0.217 20 0 FBADRM CC(C)[C@@H](CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000387903257 483486542 /nfs/dbraw/zinc/48/65/42/483486542.db2.gz VCVLCLSMJQVYMG-LLVKDONJSA-N -1 0 350.418 -0.031 20 0 FBADRM CC(C)[C@H](CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000387903269 483485602 /nfs/dbraw/zinc/48/56/02/483485602.db2.gz VCVLCLSMJQVYMG-NSHDSACASA-N -1 0 350.418 -0.031 20 0 FBADRM CN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000388149632 599813650 /nfs/dbraw/zinc/81/36/50/599813650.db2.gz GDJAPBPPLAVZII-UHFFFAOYSA-N -1 0 351.402 -0.185 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CC(=O)[O-])c(=O)n(C)c1=O ZINC000388248147 483504097 /nfs/dbraw/zinc/50/40/97/483504097.db2.gz SIOWRZCACOGXHZ-NXEZZACHSA-N -1 0 359.404 -0.604 20 0 FBADRM CCS(=O)(=O)NC1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000388347049 601255079 /nfs/dbraw/zinc/25/50/79/601255079.db2.gz JGGSIBFHTYHSGU-UHFFFAOYSA-N -1 0 357.454 -0.959 20 0 FBADRM CC(C)(C)OC(=O)C[C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000388512929 842193201 /nfs/dbraw/zinc/19/32/01/842193201.db2.gz VVOLSBVKFGBWGF-QMMMGPOBSA-N -1 0 359.422 -0.865 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CC(C)(C)NS(C)(=O)=O ZINC000388524835 483811204 /nfs/dbraw/zinc/81/12/04/483811204.db2.gz XWPVSFQWPXAHEN-UHFFFAOYSA-N -1 0 371.462 -0.464 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000388733930 600232837 /nfs/dbraw/zinc/23/28/37/600232837.db2.gz CGHSOOVJQZSAOZ-UHFFFAOYSA-N -1 0 350.418 -0.257 20 0 FBADRM CS(=O)(=O)NCCCNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000388841227 484081207 /nfs/dbraw/zinc/08/12/07/484081207.db2.gz DRDXXBKBSRYUGB-UHFFFAOYSA-N -1 0 351.406 -0.617 20 0 FBADRM CCN(CCCNS(=O)(=O)c1scnc1C(=O)[O-])S(C)(=O)=O ZINC000388891118 484102903 /nfs/dbraw/zinc/10/29/03/484102903.db2.gz ZSPNDQIZSZIBHH-UHFFFAOYSA-N -1 0 371.462 -0.209 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCCNS(C)(=O)=O)cc1C(=O)[O-] ZINC000388969119 600768758 /nfs/dbraw/zinc/76/87/58/600768758.db2.gz XQESGVFACZPVQW-UHFFFAOYSA-N -1 0 350.418 -0.089 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCNS(C)(=O)=O ZINC000389010827 842194983 /nfs/dbraw/zinc/19/49/83/842194983.db2.gz SKWXVTVIFXBELE-UHFFFAOYSA-N -1 0 350.418 -0.089 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000389012332 600083777 /nfs/dbraw/zinc/08/37/77/600083777.db2.gz JYKGJYBGFJNMGL-UHFFFAOYSA-N -1 0 350.418 -0.089 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCS(=O)(=O)N(C)C)cc1C(=O)[O-] ZINC000389065404 846841901 /nfs/dbraw/zinc/84/19/01/846841901.db2.gz VGOSJCZMUCGOBM-UHFFFAOYSA-N -1 0 350.418 -0.137 20 0 FBADRM CS(=O)(=O)CS(=O)(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000389082847 846841853 /nfs/dbraw/zinc/84/18/53/846841853.db2.gz OXEUJNCEDLEZRE-UHFFFAOYSA-N -1 0 350.374 -0.755 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NC(CO)(CO)CO)c(Cl)cc1Cl ZINC000389251941 846851238 /nfs/dbraw/zinc/85/12/38/846851238.db2.gz BQLMIODADNIGGR-UHFFFAOYSA-N -1 0 374.198 -0.314 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)CC(=O)[O-] ZINC000389431100 484538821 /nfs/dbraw/zinc/53/88/21/484538821.db2.gz ULBNJYMCCVYGFH-SECBINFHSA-N -1 0 351.402 -0.142 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)CC(=O)[O-] ZINC000389431101 484538921 /nfs/dbraw/zinc/53/89/21/484538921.db2.gz ULBNJYMCCVYGFH-VIFPVBQESA-N -1 0 351.402 -0.142 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)NCCSCC(=O)[O-])cc1 ZINC000389477250 599901882 /nfs/dbraw/zinc/90/18/82/599901882.db2.gz PSEGUZPDHXDMGO-UHFFFAOYSA-N -1 0 361.445 -0.007 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)NCCSCC(=O)[O-])c1 ZINC000389486972 484545675 /nfs/dbraw/zinc/54/56/75/484545675.db2.gz NKYDMVJTRWOILR-UHFFFAOYSA-N -1 0 354.431 -0.570 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCCSCC(=O)[O-])C1 ZINC000389505001 484546708 /nfs/dbraw/zinc/54/67/08/484546708.db2.gz XDCYNKBDHJYUBW-JTQLQIEISA-N -1 0 354.450 -0.086 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCCSCC(=O)[O-])C1 ZINC000389505002 484546678 /nfs/dbraw/zinc/54/66/78/484546678.db2.gz XDCYNKBDHJYUBW-SNVBAGLBSA-N -1 0 354.450 -0.086 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)NCCSCC(=O)[O-])CC1 ZINC000389506869 484546853 /nfs/dbraw/zinc/54/68/53/484546853.db2.gz YZZPGYQRCFCZIR-UHFFFAOYSA-N -1 0 354.450 -0.086 20 0 FBADRM CS(=O)(=O)NCCNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000389658017 842205412 /nfs/dbraw/zinc/20/54/12/842205412.db2.gz SNDKLQOIDOZBMF-UHFFFAOYSA-N -1 0 358.344 -0.510 20 0 FBADRM NS(=O)(=O)CCCCNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000389857186 484111609 /nfs/dbraw/zinc/11/16/09/484111609.db2.gz DKDGWUBRCVYZQN-UHFFFAOYSA-N -1 0 351.406 -0.487 20 0 FBADRM NS(=O)(=O)c1ccc(CCNS(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000389862406 484111550 /nfs/dbraw/zinc/11/15/50/484111550.db2.gz FXENOZSSQOXDHK-UHFFFAOYSA-N -1 0 361.367 -0.137 20 0 FBADRM CNC(=O)CN1CCC(NS(=O)(=O)c2csc(C(=O)[O-])c2)CC1 ZINC000389911878 600707015 /nfs/dbraw/zinc/70/70/15/600707015.db2.gz BDGDZWYPMFNLHT-UHFFFAOYSA-N -1 0 361.445 -0.065 20 0 FBADRM CC(C)(CNc1ccc(S(N)(=O)=O)cc1C(=O)[O-])NS(C)(=O)=O ZINC000389952719 600075490 /nfs/dbraw/zinc/07/54/90/600075490.db2.gz NUPRYLJZZGKPTQ-UHFFFAOYSA-N -1 0 365.433 -0.228 20 0 FBADRM CC(C)(CNS(=O)(=O)c1ccc(CC(=O)[O-])cc1)NS(C)(=O)=O ZINC000389960849 600650421 /nfs/dbraw/zinc/65/04/21/600650421.db2.gz CLYBPFAKJHOLFY-UHFFFAOYSA-N -1 0 364.445 -0.080 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC000390023401 484150609 /nfs/dbraw/zinc/15/06/09/484150609.db2.gz ANOFNEFAMDEWCQ-UHFFFAOYSA-N -1 0 366.392 -0.210 20 0 FBADRM CCS(=O)(=O)NCCNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000390058816 483499125 /nfs/dbraw/zinc/49/91/25/483499125.db2.gz AIKJMOBLIBVREZ-UHFFFAOYSA-N -1 0 351.406 -0.617 20 0 FBADRM Cn1cc(S(=O)(=O)NCCc2nc(C(=O)[O-])cs2)cc1C(N)=O ZINC000390109808 483723931 /nfs/dbraw/zinc/72/39/31/483723931.db2.gz SYXPKXTXPPPIRM-UHFFFAOYSA-N -1 0 358.401 -0.200 20 0 FBADRM CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000390112946 601233505 /nfs/dbraw/zinc/23/35/05/601233505.db2.gz UTFDPODHKVSVSR-UHFFFAOYSA-N -1 0 372.371 -0.119 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000390117939 484149746 /nfs/dbraw/zinc/14/97/46/484149746.db2.gz WQLOYJOTQLMWIT-JTQLQIEISA-N -1 0 363.413 -0.046 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000390117940 484149466 /nfs/dbraw/zinc/14/94/66/484149466.db2.gz WQLOYJOTQLMWIT-SNVBAGLBSA-N -1 0 363.413 -0.046 20 0 FBADRM CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000390133128 842230901 /nfs/dbraw/zinc/23/09/01/842230901.db2.gz CHHHDFFOIQUAIG-UHFFFAOYSA-N -1 0 350.418 -0.469 20 0 FBADRM CCS(=O)(=O)NCCNS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000390133701 599936967 /nfs/dbraw/zinc/93/69/67/599936967.db2.gz CKVLXGSJOWZMTN-UHFFFAOYSA-N -1 0 350.418 -0.089 20 0 FBADRM CS(=O)(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])CC1 ZINC000390154540 484154599 /nfs/dbraw/zinc/15/45/99/484154599.db2.gz XUNPXFYMSKPBOA-UHFFFAOYSA-N -1 0 363.417 -0.886 20 0 FBADRM CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000390235853 599733423 /nfs/dbraw/zinc/73/34/23/599733423.db2.gz ISPWRXKTFWWUKJ-UHFFFAOYSA-N -1 0 350.418 -0.089 20 0 FBADRM CCS(=O)(=O)NCC[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000390247276 483512706 /nfs/dbraw/zinc/51/27/06/483512706.db2.gz LJHJKPKNNJDAML-UHFFFAOYSA-N -1 0 357.435 -0.853 20 0 FBADRM CCS(=O)(=O)NCCNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000390254813 599733290 /nfs/dbraw/zinc/73/32/90/599733290.db2.gz NAXGFYBRJWJVKK-UHFFFAOYSA-N -1 0 350.418 -0.257 20 0 FBADRM CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000390266410 600732932 /nfs/dbraw/zinc/73/29/32/600732932.db2.gz PWPNDLUWCIPJEE-UHFFFAOYSA-N -1 0 350.418 -0.089 20 0 FBADRM CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000390283280 600777293 /nfs/dbraw/zinc/77/72/93/600777293.db2.gz UQHZWEJSTPNQRE-UHFFFAOYSA-N -1 0 350.418 -0.089 20 0 FBADRM CCS(=O)(=O)NCCNS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000390288442 600229652 /nfs/dbraw/zinc/22/96/52/600229652.db2.gz WADGNKGOLUWETC-UHFFFAOYSA-N -1 0 350.418 -0.257 20 0 FBADRM CCS(=O)(=O)NCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000390309868 601232548 /nfs/dbraw/zinc/23/25/48/601232548.db2.gz FQFBYMOYTCSXKU-UHFFFAOYSA-N -1 0 366.417 -0.389 20 0 FBADRM CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000390339989 600582725 /nfs/dbraw/zinc/58/27/25/600582725.db2.gz MHXVNCGWSWJNKZ-UHFFFAOYSA-N -1 0 366.417 -0.389 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CCSC[C@H]2CC(=O)[O-])cn1C ZINC000390346013 484164987 /nfs/dbraw/zinc/16/49/87/484164987.db2.gz WRRBXKJBGOIAMU-SECBINFHSA-N -1 0 361.445 -0.035 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CCSC[C@@H]2CC(=O)[O-])cn1C ZINC000390346019 484164794 /nfs/dbraw/zinc/16/47/94/484164794.db2.gz WRRBXKJBGOIAMU-VIFPVBQESA-N -1 0 361.445 -0.035 20 0 FBADRM CS(=O)(=O)N1CCC(NS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000390346760 846855386 /nfs/dbraw/zinc/85/53/86/846855386.db2.gz XNLQPMXZONPOAF-JTQLQIEISA-N -1 0 369.465 -0.959 20 0 FBADRM CS(=O)(=O)N1CCC(NS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000390346763 846855528 /nfs/dbraw/zinc/85/55/28/846855528.db2.gz XNLQPMXZONPOAF-SNVBAGLBSA-N -1 0 369.465 -0.959 20 0 FBADRM CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000390353600 601232641 /nfs/dbraw/zinc/23/26/41/601232641.db2.gz PHZNXTKUZDKRKW-UHFFFAOYSA-N -1 0 354.381 -0.259 20 0 FBADRM CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000390369654 599733261 /nfs/dbraw/zinc/73/32/61/599733261.db2.gz UGLYEQQFVKPAHZ-UHFFFAOYSA-N -1 0 366.417 -0.632 20 0 FBADRM CCS(=O)(=O)NCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000390377137 599733492 /nfs/dbraw/zinc/73/34/92/599733492.db2.gz WPDVRMQIVONSOG-UHFFFAOYSA-N -1 0 354.381 -0.259 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000390538425 484180059 /nfs/dbraw/zinc/18/00/59/484180059.db2.gz GTEHXLJVHJCABX-GHMZBOCLSA-N -1 0 350.393 -0.708 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000390538426 484180599 /nfs/dbraw/zinc/18/05/99/484180599.db2.gz GTEHXLJVHJCABX-MNOVXSKESA-N -1 0 350.393 -0.708 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000390538427 484180327 /nfs/dbraw/zinc/18/03/27/484180327.db2.gz GTEHXLJVHJCABX-QWRGUYRKSA-N -1 0 350.393 -0.708 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000390538428 484179616 /nfs/dbraw/zinc/17/96/16/484179616.db2.gz GTEHXLJVHJCABX-WDEREUQCSA-N -1 0 350.393 -0.708 20 0 FBADRM CS(=O)(=O)NCCNS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000390595809 484186078 /nfs/dbraw/zinc/18/60/78/484186078.db2.gz ITXGKYWOSLNKEH-UHFFFAOYSA-N -1 0 366.417 -0.632 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCN(c3nccs3)CC2)cn1 ZINC000390604809 600698719 /nfs/dbraw/zinc/69/87/19/600698719.db2.gz KJQRGUQWJOTJCD-UHFFFAOYSA-N -1 0 357.417 -0.065 20 0 FBADRM COc1ccccc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000390841537 484189942 /nfs/dbraw/zinc/18/99/42/484189942.db2.gz CWBSDEPTOFRUEC-JTQLQIEISA-N -1 0 363.413 -0.042 20 0 FBADRM COc1ccccc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000390841541 484190015 /nfs/dbraw/zinc/19/00/15/484190015.db2.gz CWBSDEPTOFRUEC-SNVBAGLBSA-N -1 0 363.413 -0.042 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])c1 ZINC000390863897 660535206 /nfs/dbraw/zinc/53/52/06/660535206.db2.gz GJTHNCNCNCYHFG-SECBINFHSA-N -1 0 364.401 -0.802 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])c1 ZINC000390864318 660535057 /nfs/dbraw/zinc/53/50/57/660535057.db2.gz GJTHNCNCNCYHFG-VIFPVBQESA-N -1 0 364.401 -0.802 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])CC1 ZINC000390879699 484191396 /nfs/dbraw/zinc/19/13/96/484191396.db2.gz UQYNECKVBKNLNS-LLVKDONJSA-N -1 0 350.393 -0.708 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])CC1 ZINC000390879708 484191508 /nfs/dbraw/zinc/19/15/08/484191508.db2.gz UQYNECKVBKNLNS-NSHDSACASA-N -1 0 350.393 -0.708 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000390900246 483749176 /nfs/dbraw/zinc/74/91/76/483749176.db2.gz NIEYHQPQRYWFGI-UHFFFAOYSA-N -1 0 365.433 -0.883 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)C1 ZINC000390902307 484411538 /nfs/dbraw/zinc/41/15/38/484411538.db2.gz RGEXWKJKFWVJQJ-GWCFXTLKSA-N -1 0 350.393 -0.660 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)C1 ZINC000390902312 484411264 /nfs/dbraw/zinc/41/12/64/484411264.db2.gz RGEXWKJKFWVJQJ-GXFFZTMASA-N -1 0 350.393 -0.660 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)C1 ZINC000390902314 484412945 /nfs/dbraw/zinc/41/29/45/484412945.db2.gz RGEXWKJKFWVJQJ-MFKMUULPSA-N -1 0 350.393 -0.660 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)C1 ZINC000390902315 484414743 /nfs/dbraw/zinc/41/47/43/484414743.db2.gz RGEXWKJKFWVJQJ-ZWNOBZJWSA-N -1 0 350.393 -0.660 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000390950657 601210354 /nfs/dbraw/zinc/21/03/54/601210354.db2.gz SBLMUCYPZVMODG-UHFFFAOYSA-N -1 0 366.392 -0.210 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)c1 ZINC000390978080 484193536 /nfs/dbraw/zinc/19/35/36/484193536.db2.gz IEAPDJXIACRXTA-UHFFFAOYSA-N -1 0 364.401 -0.754 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000390981436 484194657 /nfs/dbraw/zinc/19/46/57/484194657.db2.gz IOZGSVUUVWUJQD-UHFFFAOYSA-N -1 0 362.429 -0.208 20 0 FBADRM CCN(CCCNS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000391003451 484195409 /nfs/dbraw/zinc/19/54/09/484195409.db2.gz RZQFPDPXUMHVSA-LLVKDONJSA-N -1 0 371.481 -0.711 20 0 FBADRM CCN(CCCNS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000391003453 484194479 /nfs/dbraw/zinc/19/44/79/484194479.db2.gz RZQFPDPXUMHVSA-NSHDSACASA-N -1 0 371.481 -0.711 20 0 FBADRM O=C([O-])c1cc(F)c(F)c(S(=O)(=O)N2CCN(CCO)CC2)c1 ZINC000391030968 842283769 /nfs/dbraw/zinc/28/37/69/842283769.db2.gz KWDNQMFEVQIJNV-UHFFFAOYSA-N -1 0 350.343 -0.038 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])OC)cc1 ZINC000391036365 484196409 /nfs/dbraw/zinc/19/64/09/484196409.db2.gz CFSKNSISKVPEMN-SECBINFHSA-N -1 0 366.417 -0.637 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])OC)cc1 ZINC000391036371 484197106 /nfs/dbraw/zinc/19/71/06/484197106.db2.gz CFSKNSISKVPEMN-VIFPVBQESA-N -1 0 366.417 -0.637 20 0 FBADRM NC(=O)CN(CC(N)=O)S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000391364949 842292823 /nfs/dbraw/zinc/29/28/23/842292823.db2.gz SFAPATKXEJESPQ-UHFFFAOYSA-N -1 0 367.742 -0.861 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000391421975 601235591 /nfs/dbraw/zinc/23/55/91/601235591.db2.gz DVCFUQDXUVLKLA-UHFFFAOYSA-N -1 0 372.371 -0.119 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000391446339 842292174 /nfs/dbraw/zinc/29/21/74/842292174.db2.gz PEFZHQHOKPCTHE-UHFFFAOYSA-N -1 0 366.417 -0.389 20 0 FBADRM CN(C)S(=O)(=O)CCNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000391459541 846856052 /nfs/dbraw/zinc/85/60/52/846856052.db2.gz MFDHSYBHIWJZNB-UHFFFAOYSA-N -1 0 366.417 -0.680 20 0 FBADRM CS(=O)(=O)NCCCNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000391581236 842295112 /nfs/dbraw/zinc/29/51/12/842295112.db2.gz IHPAZUVTNTYJFO-UHFFFAOYSA-N -1 0 366.417 -0.632 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1 ZINC000391668931 601137418 /nfs/dbraw/zinc/13/74/18/601137418.db2.gz MHLAIIZXGLVDFO-LLVKDONJSA-N -1 0 356.356 -0.563 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC000391668932 601137470 /nfs/dbraw/zinc/13/74/70/601137470.db2.gz MHLAIIZXGLVDFO-NSHDSACASA-N -1 0 356.356 -0.563 20 0 FBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000391681182 484204731 /nfs/dbraw/zinc/20/47/31/484204731.db2.gz SQUBHLJMCJQUBQ-UHFFFAOYSA-N -1 0 366.281 -0.077 20 0 FBADRM NS(=O)(=O)c1ccc(N2CC[C@@H](N3CCOCC3)C2)c(C(=O)[O-])c1 ZINC000391690617 601109689 /nfs/dbraw/zinc/10/96/89/601109689.db2.gz KFIZOPQZIRQSMP-LLVKDONJSA-N -1 0 355.416 -0.057 20 0 FBADRM NS(=O)(=O)c1ccc(N2CC[C@H](N3CCOCC3)C2)c(C(=O)[O-])c1 ZINC000391690619 601109927 /nfs/dbraw/zinc/10/99/27/601109927.db2.gz KFIZOPQZIRQSMP-NSHDSACASA-N -1 0 355.416 -0.057 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC000391704093 601397537 /nfs/dbraw/zinc/39/75/37/601397537.db2.gz CUEPUEWYEPGWSQ-GFCCVEGCSA-N -1 0 364.420 -0.318 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC000391704101 601397635 /nfs/dbraw/zinc/39/76/35/601397635.db2.gz CUEPUEWYEPGWSQ-LBPRGKRZSA-N -1 0 364.420 -0.318 20 0 FBADRM Cc1nc(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)sc1C(=O)[O-] ZINC000391715910 484206121 /nfs/dbraw/zinc/20/61/21/484206121.db2.gz GQZUPFMVSLNPLB-UHFFFAOYSA-N -1 0 374.400 -0.974 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)o1 ZINC000391718338 599765303 /nfs/dbraw/zinc/76/53/03/599765303.db2.gz QMPUXDQXRVCADM-JTQLQIEISA-N -1 0 358.372 -0.010 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)o1 ZINC000391718342 599765521 /nfs/dbraw/zinc/76/55/21/599765521.db2.gz QMPUXDQXRVCADM-SNVBAGLBSA-N -1 0 358.372 -0.010 20 0 FBADRM CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000391771562 484075484 /nfs/dbraw/zinc/07/54/84/484075484.db2.gz FRLKVYXJYCATFW-UHFFFAOYSA-N -1 0 355.416 -0.173 20 0 FBADRM Cc1ccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C(=O)[O-])c1 ZINC000391779088 484208366 /nfs/dbraw/zinc/20/83/66/484208366.db2.gz PUZNASYICKUDBM-UHFFFAOYSA-N -1 0 353.356 -0.109 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])CC1 ZINC000391788670 484207727 /nfs/dbraw/zinc/20/77/27/484207727.db2.gz XRINTNBBRGHTSO-NEPJUHHUSA-N -1 0 364.420 -0.320 20 0 FBADRM Cn1cc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1C(=O)[O-] ZINC000391802057 600764752 /nfs/dbraw/zinc/76/47/52/600764752.db2.gz TTZDOEPIMWLJRG-UHFFFAOYSA-N -1 0 373.412 -0.151 20 0 FBADRM Cn1cc(S(=O)(=O)N(CC(=O)[O-])c2ccccc2)c(=O)n(C)c1=O ZINC000391810808 484207343 /nfs/dbraw/zinc/20/73/43/484207343.db2.gz NIYXJXYNZJSDBH-UHFFFAOYSA-N -1 0 353.356 -0.636 20 0 FBADRM O=C([O-])c1cn(CCNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)nn1 ZINC000391817966 484207329 /nfs/dbraw/zinc/20/73/29/484207329.db2.gz VROUKRFGKOTVCJ-UHFFFAOYSA-N -1 0 351.344 -0.551 20 0 FBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000391822921 484207468 /nfs/dbraw/zinc/20/74/68/484207468.db2.gz UTKLFLRGEVZYSD-GFCCVEGCSA-N -1 0 355.420 -0.360 20 0 FBADRM O=C([O-])[C@H]1CCCN(S(=O)(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000391822922 484207684 /nfs/dbraw/zinc/20/76/84/484207684.db2.gz UTKLFLRGEVZYSD-LBPRGKRZSA-N -1 0 355.420 -0.360 20 0 FBADRM CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000391846592 600713092 /nfs/dbraw/zinc/71/30/92/600713092.db2.gz XIVOGEAMKUJYCN-JTQLQIEISA-N -1 0 360.392 -0.133 20 0 FBADRM CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000391846596 600713134 /nfs/dbraw/zinc/71/31/34/600713134.db2.gz XIVOGEAMKUJYCN-SNVBAGLBSA-N -1 0 360.392 -0.133 20 0 FBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000391847641 484208938 /nfs/dbraw/zinc/20/89/38/484208938.db2.gz XWRSVJNUVJOBBC-UHFFFAOYSA-N -1 0 355.420 -0.360 20 0 FBADRM COCC(=O)N1CCN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CC1 ZINC000391848531 842298075 /nfs/dbraw/zinc/29/80/75/842298075.db2.gz YDZTVPBHPDERMH-UHFFFAOYSA-N -1 0 358.372 -0.430 20 0 FBADRM CNC(=O)CN1CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC000391856166 601255628 /nfs/dbraw/zinc/25/56/28/601255628.db2.gz VDYHFHODKSRIEQ-UHFFFAOYSA-N -1 0 355.416 -0.634 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCC(C(=O)NCCCO)CC2)o1 ZINC000391873298 842299337 /nfs/dbraw/zinc/29/93/37/842299337.db2.gz JSCRTLALEJBINP-UHFFFAOYSA-N -1 0 360.388 -0.123 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1C(N)=O ZINC000391888446 484209097 /nfs/dbraw/zinc/20/90/97/484209097.db2.gz ZZOBWQDLLISNFG-LBPRGKRZSA-N -1 0 352.372 -0.209 20 0 FBADRM O=C([O-])C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CCO1 ZINC000392024343 601397576 /nfs/dbraw/zinc/39/75/76/601397576.db2.gz VRAQCYSGZVVZQX-SECBINFHSA-N -1 0 356.356 -0.118 20 0 FBADRM O=C([O-])C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CCO1 ZINC000392024344 601397659 /nfs/dbraw/zinc/39/76/59/601397659.db2.gz VRAQCYSGZVVZQX-VIFPVBQESA-N -1 0 356.356 -0.118 20 0 FBADRM NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000392053847 600687168 /nfs/dbraw/zinc/68/71/68/600687168.db2.gz WVDFGDXNKMAVTC-UHFFFAOYSA-N -1 0 373.412 -0.119 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000392061628 842302206 /nfs/dbraw/zinc/30/22/06/842302206.db2.gz HKENATJLYJVDCY-UHFFFAOYSA-N -1 0 359.404 -0.381 20 0 FBADRM NC(=O)CN1CCC(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC000392073098 600646656 /nfs/dbraw/zinc/64/66/56/600646656.db2.gz BNSPFMYMZPHANM-UHFFFAOYSA-N -1 0 355.416 -0.458 20 0 FBADRM COCC(=O)N1CCC(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000392086353 484528852 /nfs/dbraw/zinc/52/88/52/484528852.db2.gz GPGXMDVRLNJMJZ-UHFFFAOYSA-N -1 0 359.404 -0.361 20 0 FBADRM NS(=O)(=O)c1ccc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000392140074 600686969 /nfs/dbraw/zinc/68/69/69/600686969.db2.gz SLQMXQJLANOICX-UHFFFAOYSA-N -1 0 374.400 -0.906 20 0 FBADRM CNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000392154205 601255489 /nfs/dbraw/zinc/25/54/89/601255489.db2.gz YVAKAYRSAZYDEJ-UHFFFAOYSA-N -1 0 359.379 -0.424 20 0 FBADRM CCOC(=O)N1CCC(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000392171394 600691899 /nfs/dbraw/zinc/69/18/99/600691899.db2.gz LAPMYFONLOPUQD-UHFFFAOYSA-N -1 0 360.392 -0.133 20 0 FBADRM COC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000392184548 846859492 /nfs/dbraw/zinc/85/94/92/846859492.db2.gz CKKFPPQBOIWXQJ-UHFFFAOYSA-N -1 0 361.328 -0.573 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000392197246 842306537 /nfs/dbraw/zinc/30/65/37/842306537.db2.gz YYCSMJJVGANOBA-GFCCVEGCSA-N -1 0 357.388 -0.629 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000392197247 842306692 /nfs/dbraw/zinc/30/66/92/842306692.db2.gz YYCSMJJVGANOBA-LBPRGKRZSA-N -1 0 357.388 -0.629 20 0 FBADRM Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)ccc1C(=O)[O-] ZINC000392206249 600754005 /nfs/dbraw/zinc/75/40/05/600754005.db2.gz UPACBMHELVDQMO-AWEZNQCLSA-N -1 0 353.356 -0.334 20 0 FBADRM Cc1cc(S(=O)(=O)N2CC[C@]3(C2)NC(=O)NC3=O)ccc1C(=O)[O-] ZINC000392206254 600754183 /nfs/dbraw/zinc/75/41/83/600754183.db2.gz UPACBMHELVDQMO-CQSZACIVSA-N -1 0 353.356 -0.334 20 0 FBADRM CNC(=O)CN1CCC(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000392217416 600769590 /nfs/dbraw/zinc/76/95/90/600769590.db2.gz RQQSCSGXRIJTCQ-UHFFFAOYSA-N -1 0 358.420 -0.788 20 0 FBADRM Cc1c(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cccc1C(=O)[O-] ZINC000392235906 484223068 /nfs/dbraw/zinc/22/30/68/484223068.db2.gz ZRFSJWQYZCJSDE-UHFFFAOYSA-N -1 0 353.356 -0.109 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)cn1 ZINC000392250897 600697329 /nfs/dbraw/zinc/69/73/29/600697329.db2.gz UKGOUWXYINFMQC-UHFFFAOYSA-N -1 0 365.415 -0.131 20 0 FBADRM CNC(=O)CN1CCC(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CC1 ZINC000392256434 846860676 /nfs/dbraw/zinc/86/06/76/846860676.db2.gz KPGKKKZYZIMWPF-UHFFFAOYSA-N -1 0 371.415 -0.421 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCC(CN3CCOCC3)CC2)cn1 ZINC000392257537 600713125 /nfs/dbraw/zinc/71/31/25/600713125.db2.gz BNBKIYGBOLKTKF-UHFFFAOYSA-N -1 0 372.447 -0.299 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)Nc2cc(-n3cnnn3)ccc2F)cn1 ZINC000392259356 600676283 /nfs/dbraw/zinc/67/62/83/600676283.db2.gz DRSVEHZRZCXSEC-UHFFFAOYSA-N -1 0 367.322 -0.117 20 0 FBADRM CCN(CC)C(=O)N1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000392266930 484226351 /nfs/dbraw/zinc/22/63/51/484226351.db2.gz XSIMPIFIJGVLNB-UHFFFAOYSA-N -1 0 373.435 -0.264 20 0 FBADRM COC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)CC1 ZINC000392269451 846860615 /nfs/dbraw/zinc/86/06/15/846860615.db2.gz BLNNBJOYZXXVKO-UHFFFAOYSA-N -1 0 372.399 -0.127 20 0 FBADRM Cc1oc(C)c(S(=O)(=O)N2CCN(CC(=O)N(C)C)CC2)c1C(=O)[O-] ZINC000392271811 483587294 /nfs/dbraw/zinc/58/72/94/483587294.db2.gz CZCHAKDCVQWVMR-UHFFFAOYSA-N -1 0 373.431 -0.011 20 0 FBADRM O=C([O-])CCN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000392299952 597000718 /nfs/dbraw/zinc/00/07/18/597000718.db2.gz DQBSEVBYXZEIDI-UHFFFAOYSA-N -1 0 369.399 -0.202 20 0 FBADRM NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000392309148 600697481 /nfs/dbraw/zinc/69/74/81/600697481.db2.gz KMTMWLVWRXFUDS-ZDUSSCGKSA-N -1 0 364.383 -0.431 20 0 FBADRM COC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000392351823 601392264 /nfs/dbraw/zinc/39/22/64/601392264.db2.gz JDQIHUFLABGESU-GFCCVEGCSA-N -1 0 359.356 -0.288 20 0 FBADRM COC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000392351825 601392135 /nfs/dbraw/zinc/39/21/35/601392135.db2.gz JDQIHUFLABGESU-LBPRGKRZSA-N -1 0 359.356 -0.288 20 0 FBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000392495298 600265531 /nfs/dbraw/zinc/26/55/31/600265531.db2.gz CYJRTQGEDGQURI-AWEZNQCLSA-N -1 0 353.356 -0.334 20 0 FBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000392495302 600265434 /nfs/dbraw/zinc/26/54/34/600265434.db2.gz CYJRTQGEDGQURI-CQSZACIVSA-N -1 0 353.356 -0.334 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H]2CCCC[C@]2(C)C(=O)[O-])c(=O)n(C)c1=O ZINC000392507340 484240232 /nfs/dbraw/zinc/24/02/32/484240232.db2.gz IVWXHMCMSIQPKZ-HZMBPMFUSA-N -1 0 359.404 -0.604 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H]2CCCC[C@@]2(C)C(=O)[O-])c(=O)n(C)c1=O ZINC000392507342 484240049 /nfs/dbraw/zinc/24/00/49/484240049.db2.gz IVWXHMCMSIQPKZ-IINYFYTJSA-N -1 0 359.404 -0.604 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCCC[C@@]2(C)C(=O)[O-])c(=O)n(C)c1=O ZINC000392507344 484241054 /nfs/dbraw/zinc/24/10/54/484241054.db2.gz IVWXHMCMSIQPKZ-QMTHXVAHSA-N -1 0 359.404 -0.604 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCCC[C@]2(C)C(=O)[O-])c(=O)n(C)c1=O ZINC000392507345 484240382 /nfs/dbraw/zinc/24/03/82/484240382.db2.gz IVWXHMCMSIQPKZ-YGRLFVJLSA-N -1 0 359.404 -0.604 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000392515457 600265451 /nfs/dbraw/zinc/26/54/51/600265451.db2.gz MUCCDXSXIKFSHD-AWEZNQCLSA-N -1 0 353.356 -0.334 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000392515462 600265660 /nfs/dbraw/zinc/26/56/60/600265660.db2.gz MUCCDXSXIKFSHD-CQSZACIVSA-N -1 0 353.356 -0.334 20 0 FBADRM CC(C)(CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)C(=O)[O-] ZINC000392515945 484524520 /nfs/dbraw/zinc/52/45/20/484524520.db2.gz MXVAIVFSMZEPBA-UHFFFAOYSA-N -1 0 359.404 -0.124 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000392559246 484250048 /nfs/dbraw/zinc/25/00/48/484250048.db2.gz CVWFKWWVPISVJC-LLVKDONJSA-N -1 0 364.420 -0.270 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000392559250 484249608 /nfs/dbraw/zinc/24/96/08/484249608.db2.gz CVWFKWWVPISVJC-NSHDSACASA-N -1 0 364.420 -0.270 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)cc1 ZINC000392562924 484253248 /nfs/dbraw/zinc/25/32/48/484253248.db2.gz NJIHIBVRCAFIAQ-GFCCVEGCSA-N -1 0 352.372 -0.116 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)cc1 ZINC000392562927 484252891 /nfs/dbraw/zinc/25/28/91/484252891.db2.gz NJIHIBVRCAFIAQ-LBPRGKRZSA-N -1 0 352.372 -0.116 20 0 FBADRM Cc1ccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cc1C(N)=O ZINC000392565419 484252968 /nfs/dbraw/zinc/25/29/68/484252968.db2.gz OGUZHQWMTAELIH-UHFFFAOYSA-N -1 0 353.360 -0.751 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000392577157 484253264 /nfs/dbraw/zinc/25/32/64/484253264.db2.gz UMIQVQIEEVJZLE-GHMZBOCLSA-N -1 0 360.392 -0.592 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000392577159 484252521 /nfs/dbraw/zinc/25/25/21/484252521.db2.gz UMIQVQIEEVJZLE-MNOVXSKESA-N -1 0 360.392 -0.592 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000392577161 484253090 /nfs/dbraw/zinc/25/30/90/484253090.db2.gz UMIQVQIEEVJZLE-QWRGUYRKSA-N -1 0 360.392 -0.592 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000392577163 484253053 /nfs/dbraw/zinc/25/30/53/484253053.db2.gz UMIQVQIEEVJZLE-WDEREUQCSA-N -1 0 360.392 -0.592 20 0 FBADRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000392590892 601137459 /nfs/dbraw/zinc/13/74/59/601137459.db2.gz KFZYFYPIRWSTGM-SECBINFHSA-N -1 0 373.343 -0.433 20 0 FBADRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000392590895 601137918 /nfs/dbraw/zinc/13/79/18/601137918.db2.gz KFZYFYPIRWSTGM-VIFPVBQESA-N -1 0 373.343 -0.433 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cc1 ZINC000392598979 484256216 /nfs/dbraw/zinc/25/62/16/484256216.db2.gz OYYHCPVGKKALLV-UHFFFAOYSA-N -1 0 353.360 -0.200 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cc1 ZINC000392608761 484255959 /nfs/dbraw/zinc/25/59/59/484255959.db2.gz UPNUCBZFGNFNTR-UHFFFAOYSA-N -1 0 354.344 -0.372 20 0 FBADRM COc1cc(S(=O)(=O)N[C@@H]2CC(=O)N(C)C2)cc(C(=O)[O-])c1OC ZINC000392608985 484526394 /nfs/dbraw/zinc/52/63/94/484526394.db2.gz CLSLDKAQXLNNAS-MRVPVSSYSA-N -1 0 358.372 -0.089 20 0 FBADRM COc1cc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2)cc(C(=O)[O-])c1OC ZINC000392608987 484526508 /nfs/dbraw/zinc/52/65/08/484526508.db2.gz CLSLDKAQXLNNAS-QMMMGPOBSA-N -1 0 358.372 -0.089 20 0 FBADRM Cn1cc(S(=O)(=O)NCCc2ccccc2C(=O)[O-])c(=O)n(C)c1=O ZINC000392619206 484261301 /nfs/dbraw/zinc/26/13/01/484261301.db2.gz QPQOXOHSZSGOOX-UHFFFAOYSA-N -1 0 367.383 -0.697 20 0 FBADRM COc1ccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c(OC)c1 ZINC000392652545 484277952 /nfs/dbraw/zinc/27/79/52/484277952.db2.gz GWMNXRQUROMMNE-UHFFFAOYSA-N -1 0 356.360 -0.142 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@@H]2CCCN(c3ncccn3)C2)cn1 ZINC000392654621 484279594 /nfs/dbraw/zinc/27/95/94/484279594.db2.gz WRQZYLKCFFSBHE-LLVKDONJSA-N -1 0 366.403 -0.295 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@H]2CCCN(c3ncccn3)C2)cn1 ZINC000392654623 484278691 /nfs/dbraw/zinc/27/86/91/484278691.db2.gz WRQZYLKCFFSBHE-NSHDSACASA-N -1 0 366.403 -0.295 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cc1 ZINC000392662582 484286738 /nfs/dbraw/zinc/28/67/38/484286738.db2.gz KSQGQTXKURZMKU-UHFFFAOYSA-N -1 0 374.400 -0.755 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000392691410 601247455 /nfs/dbraw/zinc/24/74/55/601247455.db2.gz KKDHJIFJRPXWCX-AWEZNQCLSA-N -1 0 369.355 -0.634 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000392691414 601247542 /nfs/dbraw/zinc/24/75/42/601247542.db2.gz KKDHJIFJRPXWCX-CQSZACIVSA-N -1 0 369.355 -0.634 20 0 FBADRM COC(=O)c1ccc(CS(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cc1 ZINC000392691620 484298527 /nfs/dbraw/zinc/29/85/27/484298527.db2.gz BQYRXIOTUBWEIO-UHFFFAOYSA-N -1 0 368.371 -0.231 20 0 FBADRM CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)n(C)c1 ZINC000392712939 599944807 /nfs/dbraw/zinc/94/48/07/599944807.db2.gz MOKSXBWOVSCQLE-CYBMUJFWSA-N -1 0 373.431 -0.019 20 0 FBADRM CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)n(C)c1 ZINC000392712952 599944575 /nfs/dbraw/zinc/94/45/75/599944575.db2.gz MOKSXBWOVSCQLE-ZDUSSCGKSA-N -1 0 373.431 -0.019 20 0 FBADRM O=C([O-])C=Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000392719401 601247686 /nfs/dbraw/zinc/24/76/86/601247686.db2.gz YLYNUQATXSPLDE-BYPUDFOVSA-N -1 0 365.367 -0.243 20 0 FBADRM O=C([O-])C=Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000392719404 601247669 /nfs/dbraw/zinc/24/76/69/601247669.db2.gz YLYNUQATXSPLDE-OMVNSRBRSA-N -1 0 365.367 -0.243 20 0 FBADRM O=C([O-])C=Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000392719405 601247491 /nfs/dbraw/zinc/24/74/91/601247491.db2.gz YLYNUQATXSPLDE-VFQAQYNWSA-N -1 0 365.367 -0.243 20 0 FBADRM O=C([O-])C=Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000392719407 601247593 /nfs/dbraw/zinc/24/75/93/601247593.db2.gz YLYNUQATXSPLDE-YFCVBGDOSA-N -1 0 365.367 -0.243 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCN(CC(N)=O)CC1 ZINC000392754812 601211771 /nfs/dbraw/zinc/21/17/71/601211771.db2.gz LPNIBHLVWYQKRC-UHFFFAOYSA-N -1 0 371.415 -0.379 20 0 FBADRM COC(=O)c1ccc(C)c(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000392756667 484361236 /nfs/dbraw/zinc/36/12/36/484361236.db2.gz VTNJURTXZVAZFQ-UHFFFAOYSA-N -1 0 368.371 -0.064 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@](C)(COC)C(=O)[O-])CC1 ZINC000392796869 601805130 /nfs/dbraw/zinc/80/51/30/601805130.db2.gz MACPCEVDEYCPSF-CYBMUJFWSA-N -1 0 352.409 -0.414 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@@](C)(COC)C(=O)[O-])CC1 ZINC000392796870 601805140 /nfs/dbraw/zinc/80/51/40/601805140.db2.gz MACPCEVDEYCPSF-ZDUSSCGKSA-N -1 0 352.409 -0.414 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC000392801728 484865732 /nfs/dbraw/zinc/86/57/32/484865732.db2.gz RLGKUWJRFMARBN-BXUZGUMPSA-N -1 0 364.420 -0.318 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC000392801729 484866359 /nfs/dbraw/zinc/86/63/59/484866359.db2.gz RLGKUWJRFMARBN-FZMZJTMJSA-N -1 0 364.420 -0.318 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC000392801730 484865754 /nfs/dbraw/zinc/86/57/54/484865754.db2.gz RLGKUWJRFMARBN-RISCZKNCSA-N -1 0 364.420 -0.318 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC000392801731 484866675 /nfs/dbraw/zinc/86/66/75/484866675.db2.gz RLGKUWJRFMARBN-SMDDNHRTSA-N -1 0 364.420 -0.318 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000392821138 484533629 /nfs/dbraw/zinc/53/36/29/484533629.db2.gz HBHVDTGZAVBQGM-LLVKDONJSA-N -1 0 372.399 -0.324 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000392821141 484533535 /nfs/dbraw/zinc/53/35/35/484533535.db2.gz HBHVDTGZAVBQGM-NSHDSACASA-N -1 0 372.399 -0.324 20 0 FBADRM O=C([O-])C1(c2ccc(S(=O)(=O)NCC(=O)N3CCOCC3)cc2)CC1 ZINC000392829304 605144977 /nfs/dbraw/zinc/14/49/77/605144977.db2.gz NRYMDHPNJMFJQY-UHFFFAOYSA-N -1 0 368.411 -0.060 20 0 FBADRM COc1ccc(S(=O)(=O)NCCC(=O)N2CCOCC2)cc1C(=O)[O-] ZINC000392853921 600577819 /nfs/dbraw/zinc/57/78/19/600577819.db2.gz YRCHHIKDFKIRKZ-UHFFFAOYSA-N -1 0 372.399 -0.079 20 0 FBADRM COc1ccc(S(=O)(=O)NC2CCN(CC(N)=O)CC2)cc1C(=O)[O-] ZINC000392863394 600577854 /nfs/dbraw/zinc/57/78/54/600577854.db2.gz VRSQMJPHAPSFNB-UHFFFAOYSA-N -1 0 371.415 -0.379 20 0 FBADRM COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)cn1 ZINC000392950118 484537095 /nfs/dbraw/zinc/53/70/95/484537095.db2.gz UITGEXQUUXBFEO-UHFFFAOYSA-N -1 0 368.371 -0.036 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000392969323 600094772 /nfs/dbraw/zinc/09/47/72/600094772.db2.gz OITUJCZESXOCJJ-UHFFFAOYSA-N -1 0 372.403 -0.438 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)C1 ZINC000392970998 483883605 /nfs/dbraw/zinc/88/36/05/483883605.db2.gz CPFAKXHUWSDCQN-HNNXBMFYSA-N -1 0 372.399 -0.094 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)C1 ZINC000392971004 483883673 /nfs/dbraw/zinc/88/36/73/483883673.db2.gz CPFAKXHUWSDCQN-OAHLLOKOSA-N -1 0 372.399 -0.094 20 0 FBADRM CCNC(=O)CN1CCN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])CC1 ZINC000393011623 600148454 /nfs/dbraw/zinc/14/84/54/600148454.db2.gz VURNUJSCMCHQSV-UHFFFAOYSA-N -1 0 373.406 -0.034 20 0 FBADRM COc1ccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cc1C(N)=O ZINC000393087624 484467969 /nfs/dbraw/zinc/46/79/69/484467969.db2.gz VRYAGJPJTCZYPD-UHFFFAOYSA-N -1 0 369.359 -0.938 20 0 FBADRM Cn1cc(S(=O)(=O)NCCc2cccc(C(=O)[O-])c2)c(=O)n(C)c1=O ZINC000393125407 484468855 /nfs/dbraw/zinc/46/88/55/484468855.db2.gz SBVFOMBPRVNYTG-UHFFFAOYSA-N -1 0 367.383 -0.697 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1)C(=O)[O-] ZINC000393154387 483696982 /nfs/dbraw/zinc/69/69/82/483696982.db2.gz VNBWRQJAIJXSCJ-NSHDSACASA-N -1 0 374.371 -0.052 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1 ZINC000393189036 484470236 /nfs/dbraw/zinc/47/02/36/484470236.db2.gz RMZLOAUULNGONP-HBNTYKKESA-N -1 0 350.393 -0.974 20 0 FBADRM CN1CCO[C@H](CNC(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000393224961 599833279 /nfs/dbraw/zinc/83/32/79/599833279.db2.gz OERBPXUUPSWYOB-CYBMUJFWSA-N -1 0 350.375 -0.047 20 0 FBADRM CN1CCO[C@@H](CNC(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000393224962 599833246 /nfs/dbraw/zinc/83/32/46/599833246.db2.gz OERBPXUUPSWYOB-ZDUSSCGKSA-N -1 0 350.375 -0.047 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1 ZINC000393267866 484470971 /nfs/dbraw/zinc/47/09/71/484470971.db2.gz HUIGFKNLERDLJD-KOLCDFICSA-N -1 0 350.393 -0.710 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C1 ZINC000393270893 483703830 /nfs/dbraw/zinc/70/38/30/483703830.db2.gz RWKGPIMCVKBDAT-UTUOFQBUSA-N -1 0 364.420 -0.320 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC000393379130 484470811 /nfs/dbraw/zinc/47/08/11/484470811.db2.gz NGJOFYHSADTXEF-VWYCJHECSA-N -1 0 350.393 -0.567 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](CC(=O)OC)C(=O)[O-])C1 ZINC000393578283 484471007 /nfs/dbraw/zinc/47/10/07/484471007.db2.gz BMVDHZOFPBUBEO-NXEZZACHSA-N -1 0 366.392 -0.888 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@H](CC(=O)OC)C(=O)[O-])C1 ZINC000393578290 484470149 /nfs/dbraw/zinc/47/01/49/484470149.db2.gz BMVDHZOFPBUBEO-VHSXEESVSA-N -1 0 366.392 -0.888 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccsc1C(=O)OC)C(=O)[O-] ZINC000393599128 484470994 /nfs/dbraw/zinc/47/09/94/484470994.db2.gz OGOSSRJLADXSLJ-ZCFIWIBFSA-N -1 0 351.358 -0.171 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CC(=O)NCC(F)(F)F ZINC000393627180 484408986 /nfs/dbraw/zinc/40/89/86/484408986.db2.gz SPQQACBXYCXCAV-UHFFFAOYSA-N -1 0 361.323 -0.114 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1)C(=O)[O-] ZINC000393645906 483715311 /nfs/dbraw/zinc/71/53/11/483715311.db2.gz VNBWRQJAIJXSCJ-LLVKDONJSA-N -1 0 374.371 -0.052 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)NCC(=O)NCc2ccccc2)cn1 ZINC000393947735 600709481 /nfs/dbraw/zinc/70/94/81/600709481.db2.gz GLSGDCLCNBOWCY-UHFFFAOYSA-N -1 0 352.372 -0.438 20 0 FBADRM Cc1nc(S(=O)(=O)NCCOCC(=O)[O-])c(Br)n1C ZINC000394115928 842118961 /nfs/dbraw/zinc/11/89/61/842118961.db2.gz RUUJZKYADOFTMS-UHFFFAOYSA-N -1 0 356.198 -0.129 20 0 FBADRM COc1cc(S(=O)(=O)NCCn2cncn2)cc(C(=O)[O-])c1OC ZINC000394368491 842336725 /nfs/dbraw/zinc/33/67/25/842336725.db2.gz VFBUJDYXCXVHFA-UHFFFAOYSA-N -1 0 356.360 -0.028 20 0 FBADRM O=C([O-])CCOc1ccc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)cc1 ZINC000394664380 604874173 /nfs/dbraw/zinc/87/41/73/604874173.db2.gz BTHQJNAVKRYCLY-CYBMUJFWSA-N -1 0 369.443 -0.182 20 0 FBADRM O=C([O-])CCOc1ccc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)cc1 ZINC000394664386 604874176 /nfs/dbraw/zinc/87/41/76/604874176.db2.gz BTHQJNAVKRYCLY-ZDUSSCGKSA-N -1 0 369.443 -0.182 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@H]1CN2CCN1CCC2 ZINC000394726402 842337050 /nfs/dbraw/zinc/33/70/50/842337050.db2.gz OFYJILLNYPCWEC-JTQLQIEISA-N -1 0 360.461 -0.402 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@H]1CN2CCN1CCC2 ZINC000394726406 842336604 /nfs/dbraw/zinc/33/66/04/842336604.db2.gz OFYJILLNYPCWEC-SNVBAGLBSA-N -1 0 360.461 -0.402 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1CN2CCN1CC2 ZINC000394782852 842337292 /nfs/dbraw/zinc/33/72/92/842337292.db2.gz MQHLHJQVMQDPFJ-GFCCVEGCSA-N -1 0 355.416 -0.329 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1CN2CCN1CC2 ZINC000394782853 842336749 /nfs/dbraw/zinc/33/67/49/842336749.db2.gz MQHLHJQVMQDPFJ-LBPRGKRZSA-N -1 0 355.416 -0.329 20 0 FBADRM COc1ccc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)cc1C(=O)[O-] ZINC000394786100 842336856 /nfs/dbraw/zinc/33/68/56/842336856.db2.gz OLWPVKCXEGRPMS-LLVKDONJSA-N -1 0 355.416 -0.329 20 0 FBADRM COc1ccc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)cc1C(=O)[O-] ZINC000394786101 842337162 /nfs/dbraw/zinc/33/71/62/842337162.db2.gz OLWPVKCXEGRPMS-NSHDSACASA-N -1 0 355.416 -0.329 20 0 FBADRM COc1cc(C(=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CN2CCN1CC2 ZINC000394786130 842336696 /nfs/dbraw/zinc/33/66/96/842336696.db2.gz ONVRPADROMSXOX-GFCCVEGCSA-N -1 0 355.416 -0.329 20 0 FBADRM COc1cc(C(=O)[O-])ccc1S(=O)(=O)NC[C@H]1CN2CCN1CC2 ZINC000394786132 842337251 /nfs/dbraw/zinc/33/72/51/842337251.db2.gz ONVRPADROMSXOX-LBPRGKRZSA-N -1 0 355.416 -0.329 20 0 FBADRM O=C([O-])c1cc(F)c(F)c(S(=O)(=O)NC[C@H]2CN3CCN2CC3)c1 ZINC000394801786 842337013 /nfs/dbraw/zinc/33/70/13/842337013.db2.gz UINJSQIAMCLRAD-JTQLQIEISA-N -1 0 361.370 -0.059 20 0 FBADRM O=C([O-])c1cc(F)c(F)c(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)c1 ZINC000394801793 679546562 /nfs/dbraw/zinc/54/65/62/679546562.db2.gz UINJSQIAMCLRAD-SNVBAGLBSA-N -1 0 361.370 -0.059 20 0 FBADRM O=C([O-])CCc1ccc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)cc1 ZINC000394807922 679546577 /nfs/dbraw/zinc/54/65/77/679546577.db2.gz XXGQLYZXYPEYDH-AWEZNQCLSA-N -1 0 353.444 -0.018 20 0 FBADRM O=C([O-])CCc1ccc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)cc1 ZINC000394807925 842337348 /nfs/dbraw/zinc/33/73/48/842337348.db2.gz XXGQLYZXYPEYDH-CQSZACIVSA-N -1 0 353.444 -0.018 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)cc1 ZINC000395319804 604702943 /nfs/dbraw/zinc/70/29/43/604702943.db2.gz SXMSVYKQZFDKIQ-UHFFFAOYSA-N -1 0 356.400 -0.077 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(CN2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC000396622865 484517442 /nfs/dbraw/zinc/51/74/42/484517442.db2.gz CDTBGXBXHSIPJV-UHFFFAOYSA-N -1 0 355.416 -0.334 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC000396650726 484686582 /nfs/dbraw/zinc/68/65/82/484686582.db2.gz NWTRVGSVQAFSIG-UHFFFAOYSA-N -1 0 370.383 -0.219 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(CN2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000396655301 484517593 /nfs/dbraw/zinc/51/75/93/484517593.db2.gz QBADQVWAZIHLLX-UHFFFAOYSA-N -1 0 355.416 -0.334 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000396675209 842336587 /nfs/dbraw/zinc/33/65/87/842336587.db2.gz KBIGALPYKLEUHG-UHFFFAOYSA-N -1 0 372.175 -0.634 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000396751081 842337243 /nfs/dbraw/zinc/33/72/43/842337243.db2.gz SGSVJGIRCUUXDD-MRVPVSSYSA-N -1 0 351.281 -0.847 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000396751082 842336446 /nfs/dbraw/zinc/33/64/46/842336446.db2.gz SGSVJGIRCUUXDD-QMMMGPOBSA-N -1 0 351.281 -0.847 20 0 FBADRM NC(=O)NC1CCN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000396845743 601129005 /nfs/dbraw/zinc/12/90/05/601129005.db2.gz AQMYZTFSRNXKNK-UHFFFAOYSA-N -1 0 357.388 -0.029 20 0 FBADRM COc1cc(S(=O)(=O)NCc2nnn(C)n2)cc(C(=O)[O-])c1OC ZINC000398083339 483496943 /nfs/dbraw/zinc/49/69/43/483496943.db2.gz MVLXUQUGJWXNBI-UHFFFAOYSA-N -1 0 357.348 -0.596 20 0 FBADRM O=C([O-])CC1(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000398402589 484543615 /nfs/dbraw/zinc/54/36/15/484543615.db2.gz XFQQBQAWKZNMED-UHFFFAOYSA-N -1 0 357.388 -0.227 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400123120 483806371 /nfs/dbraw/zinc/80/63/71/483806371.db2.gz BAQXKWVWKTZBIC-MRVPVSSYSA-N -1 0 352.390 -0.402 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000400123121 483806470 /nfs/dbraw/zinc/80/64/70/483806470.db2.gz BAQXKWVWKTZBIC-QMMMGPOBSA-N -1 0 352.390 -0.402 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400123817 483806153 /nfs/dbraw/zinc/80/61/53/483806153.db2.gz BJDLWXFNALIYRA-SSDOTTSWSA-N -1 0 369.446 -0.758 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CCN(S(C)(=O)=O)C1 ZINC000400123818 483806422 /nfs/dbraw/zinc/80/64/22/483806422.db2.gz BJDLWXFNALIYRA-ZETCQYMHSA-N -1 0 369.446 -0.758 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000400124267 484517058 /nfs/dbraw/zinc/51/70/58/484517058.db2.gz BRSXINLJENHDHE-GFCCVEGCSA-N -1 0 362.429 -0.162 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000400124269 484517052 /nfs/dbraw/zinc/51/70/52/484517052.db2.gz BRSXINLJENHDHE-LBPRGKRZSA-N -1 0 362.429 -0.162 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000400129466 484516549 /nfs/dbraw/zinc/51/65/49/484516549.db2.gz FLIAMIYJVUBIPP-LURJTMIESA-N -1 0 355.419 -0.847 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000400129469 484516895 /nfs/dbraw/zinc/51/68/95/484516895.db2.gz FLIAMIYJVUBIPP-ZCFIWIBFSA-N -1 0 355.419 -0.847 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000400130137 484516762 /nfs/dbraw/zinc/51/67/62/484516762.db2.gz FQZABVAADLPTCC-SECBINFHSA-N -1 0 366.392 -0.164 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000400130140 484516642 /nfs/dbraw/zinc/51/66/42/484516642.db2.gz FQZABVAADLPTCC-VIFPVBQESA-N -1 0 366.392 -0.164 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000400131200 483823650 /nfs/dbraw/zinc/82/36/50/483823650.db2.gz FZZPAJGTXYWXAS-GFCCVEGCSA-N -1 0 362.429 -0.162 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000400131201 483823653 /nfs/dbraw/zinc/82/36/53/483823653.db2.gz FZZPAJGTXYWXAS-LBPRGKRZSA-N -1 0 362.429 -0.162 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000400139435 484600187 /nfs/dbraw/zinc/60/01/87/484600187.db2.gz KAUGGYQEXNJPOB-MRVPVSSYSA-N -1 0 366.392 -0.164 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000400139437 484600890 /nfs/dbraw/zinc/60/08/90/484600890.db2.gz KAUGGYQEXNJPOB-QMMMGPOBSA-N -1 0 366.392 -0.164 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000400143012 483826133 /nfs/dbraw/zinc/82/61/33/483826133.db2.gz AHFOFTNHQIZVGV-SECBINFHSA-N -1 0 365.433 -0.574 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000400143013 483825924 /nfs/dbraw/zinc/82/59/24/483825924.db2.gz AHFOFTNHQIZVGV-VIFPVBQESA-N -1 0 365.433 -0.574 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000400144893 483825933 /nfs/dbraw/zinc/82/59/33/483825933.db2.gz MZTCNKKANBIBKE-MRVPVSSYSA-N -1 0 351.406 -0.965 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000400144894 483826016 /nfs/dbraw/zinc/82/60/16/483826016.db2.gz MZTCNKKANBIBKE-QMMMGPOBSA-N -1 0 351.406 -0.965 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000400145223 483825946 /nfs/dbraw/zinc/82/59/46/483825946.db2.gz BCLBBBJBPRCWNY-SSDOTTSWSA-N -1 0 369.446 -0.456 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000400145224 483825949 /nfs/dbraw/zinc/82/59/49/483825949.db2.gz BCLBBBJBPRCWNY-ZETCQYMHSA-N -1 0 369.446 -0.456 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1 ZINC000400150520 844506091 /nfs/dbraw/zinc/50/60/91/844506091.db2.gz PYULNYHUTSWSKY-SECBINFHSA-N -1 0 366.392 -0.164 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1 ZINC000400150522 844506196 /nfs/dbraw/zinc/50/61/96/844506196.db2.gz PYULNYHUTSWSKY-VIFPVBQESA-N -1 0 366.392 -0.164 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2csc(C(=O)[O-])c2)C1 ZINC000400152234 483828254 /nfs/dbraw/zinc/82/82/54/483828254.db2.gz QVYXXYZWPRZMDR-SSDOTTSWSA-N -1 0 354.431 -0.242 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2csc(C(=O)[O-])c2)C1 ZINC000400152235 483828346 /nfs/dbraw/zinc/82/83/46/483828346.db2.gz QVYXXYZWPRZMDR-ZETCQYMHSA-N -1 0 354.431 -0.242 20 0 FBADRM Cc1oc(C)c(S(=O)(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)c1C(=O)[O-] ZINC000400153065 483827538 /nfs/dbraw/zinc/82/75/38/483827538.db2.gz RKDIFSVZEIARJS-SECBINFHSA-N -1 0 366.417 -0.093 20 0 FBADRM Cc1oc(C)c(S(=O)(=O)N[C@H]2CCN(S(C)(=O)=O)C2)c1C(=O)[O-] ZINC000400153067 483827893 /nfs/dbraw/zinc/82/78/93/483827893.db2.gz RKDIFSVZEIARJS-VIFPVBQESA-N -1 0 366.417 -0.093 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C1 ZINC000400156554 844506476 /nfs/dbraw/zinc/50/64/76/844506476.db2.gz TTZWEJFBNOHRIB-MRVPVSSYSA-N -1 0 366.392 -0.164 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C1 ZINC000400156555 844506571 /nfs/dbraw/zinc/50/65/71/844506571.db2.gz TTZWEJFBNOHRIB-QMMMGPOBSA-N -1 0 366.392 -0.164 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000400157218 484404894 /nfs/dbraw/zinc/40/48/94/484404894.db2.gz UDZFOQJFOIJSII-MRVPVSSYSA-N -1 0 354.431 -0.242 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000400157220 484405126 /nfs/dbraw/zinc/40/51/26/484405126.db2.gz UDZFOQJFOIJSII-QMMMGPOBSA-N -1 0 354.431 -0.242 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000400157600 483828868 /nfs/dbraw/zinc/82/88/68/483828868.db2.gz UKKPRVDTBTVDMD-SSDOTTSWSA-N -1 0 354.431 -0.242 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000400157605 483828996 /nfs/dbraw/zinc/82/89/96/483828996.db2.gz UKKPRVDTBTVDMD-ZETCQYMHSA-N -1 0 354.431 -0.242 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1 ZINC000400162186 483830433 /nfs/dbraw/zinc/83/04/33/483830433.db2.gz WMNFLPGKVVIVGB-LLVKDONJSA-N -1 0 362.429 -0.374 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1 ZINC000400162187 483830448 /nfs/dbraw/zinc/83/04/48/483830448.db2.gz WMNFLPGKVVIVGB-NSHDSACASA-N -1 0 362.429 -0.374 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000400166658 483830652 /nfs/dbraw/zinc/83/06/52/483830652.db2.gz YTORAYHHMKGKJM-SSDOTTSWSA-N -1 0 354.431 -0.242 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000400166660 483830645 /nfs/dbraw/zinc/83/06/45/483830645.db2.gz YTORAYHHMKGKJM-ZETCQYMHSA-N -1 0 354.431 -0.242 20 0 FBADRM CCn1cc(S(=O)(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000400167371 483831054 /nfs/dbraw/zinc/83/10/54/483831054.db2.gz ZCPNWEGGQQZAMB-SECBINFHSA-N -1 0 365.433 -0.482 20 0 FBADRM CCn1cc(S(=O)(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000400167374 483831348 /nfs/dbraw/zinc/83/13/48/483831348.db2.gz ZCPNWEGGQQZAMB-VIFPVBQESA-N -1 0 365.433 -0.482 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCSC[C@@H]2C(=O)[O-])C1 ZINC000400167718 657890755 /nfs/dbraw/zinc/89/07/55/657890755.db2.gz ZFIJTHMKWYUOCR-NXEZZACHSA-N -1 0 351.450 -0.378 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCSC[C@H]2C(=O)[O-])C1 ZINC000400167719 657890549 /nfs/dbraw/zinc/89/05/49/657890549.db2.gz ZFIJTHMKWYUOCR-UWVGGRQHSA-N -1 0 351.450 -0.378 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCSC[C@@H]2C(=O)[O-])C1 ZINC000400167721 657890606 /nfs/dbraw/zinc/89/06/06/657890606.db2.gz ZFIJTHMKWYUOCR-VHSXEESVSA-N -1 0 351.450 -0.378 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCSC[C@H]2C(=O)[O-])C1 ZINC000400167722 657890747 /nfs/dbraw/zinc/89/07/47/657890747.db2.gz ZFIJTHMKWYUOCR-ZJUUUORDSA-N -1 0 351.450 -0.378 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000400234988 483835499 /nfs/dbraw/zinc/83/54/99/483835499.db2.gz GMCIXPQXOXJUOI-LLVKDONJSA-N -1 0 369.465 -0.959 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000400234996 483835278 /nfs/dbraw/zinc/83/52/78/483835278.db2.gz GMCIXPQXOXJUOI-NSHDSACASA-N -1 0 369.465 -0.959 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](Nc2ccc(S(N)(=O)=O)cc2C(=O)[O-])C1 ZINC000400255165 484517854 /nfs/dbraw/zinc/51/78/54/484517854.db2.gz FGPDVZFFDWIULC-MRVPVSSYSA-N -1 0 363.417 -0.522 20 0 FBADRM CS(=O)(=O)N1CC[C@H](Nc2ccc(S(N)(=O)=O)cc2C(=O)[O-])C1 ZINC000400255168 484517869 /nfs/dbraw/zinc/51/78/69/484517869.db2.gz FGPDVZFFDWIULC-QMMMGPOBSA-N -1 0 363.417 -0.522 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC000400263667 483722021 /nfs/dbraw/zinc/72/20/21/483722021.db2.gz JEYXDNBDIBRBPF-LLVKDONJSA-N -1 0 363.436 -0.409 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC000400263668 483721764 /nfs/dbraw/zinc/72/17/64/483721764.db2.gz JEYXDNBDIBRBPF-NSHDSACASA-N -1 0 363.436 -0.409 20 0 FBADRM CS(=O)(=O)N1CCC(NC(=O)N2CCSC[C@H]2C(=O)[O-])CC1 ZINC000400265482 483838777 /nfs/dbraw/zinc/83/87/77/483838777.db2.gz VPKHBNHTZBHSLR-JTQLQIEISA-N -1 0 351.450 -0.378 20 0 FBADRM CS(=O)(=O)N1CCC(NC(=O)N2CCSC[C@@H]2C(=O)[O-])CC1 ZINC000400265483 483838706 /nfs/dbraw/zinc/83/87/06/483838706.db2.gz VPKHBNHTZBHSLR-SNVBAGLBSA-N -1 0 351.450 -0.378 20 0 FBADRM CC[C@@](COC)(NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400282376 484518263 /nfs/dbraw/zinc/51/82/63/484518263.db2.gz MXBRUDWNLLKFBU-GWCFXTLKSA-N -1 0 351.425 -0.411 20 0 FBADRM CC[C@](COC)(NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400282378 484518073 /nfs/dbraw/zinc/51/80/73/484518073.db2.gz MXBRUDWNLLKFBU-GXFFZTMASA-N -1 0 351.425 -0.411 20 0 FBADRM CC[C@@](COC)(NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400282379 484518274 /nfs/dbraw/zinc/51/82/74/484518274.db2.gz MXBRUDWNLLKFBU-MFKMUULPSA-N -1 0 351.425 -0.411 20 0 FBADRM CC[C@](COC)(NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000400282381 484517516 /nfs/dbraw/zinc/51/75/16/484517516.db2.gz MXBRUDWNLLKFBU-ZWNOBZJWSA-N -1 0 351.425 -0.411 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000400303658 484517627 /nfs/dbraw/zinc/51/76/27/484517627.db2.gz TXLMQTNGOOEBRO-MRVPVSSYSA-N -1 0 351.406 -0.585 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000400303660 484517772 /nfs/dbraw/zinc/51/77/72/484517772.db2.gz TXLMQTNGOOEBRO-QMMMGPOBSA-N -1 0 351.406 -0.585 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000400304731 599773621 /nfs/dbraw/zinc/77/36/21/599773621.db2.gz UPWADGJFSWOHKL-MRVPVSSYSA-N -1 0 352.390 -0.320 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000400304733 599773910 /nfs/dbraw/zinc/77/39/10/599773910.db2.gz UPWADGJFSWOHKL-QMMMGPOBSA-N -1 0 352.390 -0.320 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000400307281 483840808 /nfs/dbraw/zinc/84/08/08/483840808.db2.gz VNMQCPLWWRCWAL-GHMZBOCLSA-N -1 0 369.465 -0.959 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000400307283 483840869 /nfs/dbraw/zinc/84/08/69/483840869.db2.gz VNMQCPLWWRCWAL-MNOVXSKESA-N -1 0 369.465 -0.959 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000400307285 483840776 /nfs/dbraw/zinc/84/07/76/483840776.db2.gz VNMQCPLWWRCWAL-QWRGUYRKSA-N -1 0 369.465 -0.959 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000400307287 483840699 /nfs/dbraw/zinc/84/06/99/483840699.db2.gz VNMQCPLWWRCWAL-WDEREUQCSA-N -1 0 369.465 -0.959 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000400311278 483725483 /nfs/dbraw/zinc/72/54/83/483725483.db2.gz XRGQGBUWOGBBNK-SECBINFHSA-N -1 0 366.417 -0.011 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000400311279 483725085 /nfs/dbraw/zinc/72/50/85/483725085.db2.gz XRGQGBUWOGBBNK-VIFPVBQESA-N -1 0 366.417 -0.011 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000402539725 484532226 /nfs/dbraw/zinc/53/22/26/484532226.db2.gz DYJPJAFYWKJPHG-GHMZBOCLSA-N -1 0 360.392 -0.592 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000402539727 484532156 /nfs/dbraw/zinc/53/21/56/484532156.db2.gz DYJPJAFYWKJPHG-MNOVXSKESA-N -1 0 360.392 -0.592 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000402539728 484531855 /nfs/dbraw/zinc/53/18/55/484531855.db2.gz DYJPJAFYWKJPHG-QWRGUYRKSA-N -1 0 360.392 -0.592 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000402539730 484532332 /nfs/dbraw/zinc/53/23/32/484532332.db2.gz DYJPJAFYWKJPHG-WDEREUQCSA-N -1 0 360.392 -0.592 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)C1 ZINC000402549799 484532440 /nfs/dbraw/zinc/53/24/40/484532440.db2.gz JRTNUMPBXJKVJZ-CMPLNLGQSA-N -1 0 374.419 -0.345 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@H](C(=O)[O-])c2ccnn2C)C1 ZINC000402549818 484532057 /nfs/dbraw/zinc/53/20/57/484532057.db2.gz JRTNUMPBXJKVJZ-JQWIXIFHSA-N -1 0 374.419 -0.345 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](C(=O)[O-])c2ccnn2C)C1 ZINC000402549822 484532340 /nfs/dbraw/zinc/53/23/40/484532340.db2.gz JRTNUMPBXJKVJZ-PWSUYJOCSA-N -1 0 374.419 -0.345 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)C1 ZINC000402549826 484531945 /nfs/dbraw/zinc/53/19/45/484531945.db2.gz JRTNUMPBXJKVJZ-ZYHUDNBSSA-N -1 0 374.419 -0.345 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)CC1 ZINC000402573911 484532319 /nfs/dbraw/zinc/53/23/19/484532319.db2.gz OOPFLQLHJZYIPJ-GFCCVEGCSA-N -1 0 374.419 -0.345 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@H](C(=O)[O-])c2ccnn2C)CC1 ZINC000402573912 484532446 /nfs/dbraw/zinc/53/24/46/484532446.db2.gz OOPFLQLHJZYIPJ-LBPRGKRZSA-N -1 0 374.419 -0.345 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)CC1 ZINC000402574160 844555482 /nfs/dbraw/zinc/55/54/82/844555482.db2.gz GFAZOWNTWVYSQL-GFCCVEGCSA-N -1 0 358.420 -0.276 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)CC1 ZINC000402574163 844555664 /nfs/dbraw/zinc/55/56/64/844555664.db2.gz GFAZOWNTWVYSQL-LBPRGKRZSA-N -1 0 358.420 -0.276 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)o1 ZINC000402577359 484688901 /nfs/dbraw/zinc/68/89/01/484688901.db2.gz IKTYGBYRYTVNPA-LLVKDONJSA-N -1 0 356.360 -0.181 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)o1 ZINC000402577360 484688373 /nfs/dbraw/zinc/68/83/73/484688373.db2.gz IKTYGBYRYTVNPA-NSHDSACASA-N -1 0 356.360 -0.181 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)CC1 ZINC000402579410 484531783 /nfs/dbraw/zinc/53/17/83/484531783.db2.gz RYTPASGENCVNTL-LLVKDONJSA-N -1 0 360.392 -0.735 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@H](C(=O)[O-])c2ccnn2C)CC1 ZINC000402579414 484532011 /nfs/dbraw/zinc/53/20/11/484532011.db2.gz RYTPASGENCVNTL-NSHDSACASA-N -1 0 360.392 -0.735 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cn1C ZINC000402652036 484534026 /nfs/dbraw/zinc/53/40/26/484534026.db2.gz HDGSPHKEWBWPEZ-LLVKDONJSA-N -1 0 355.376 -0.778 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccnn2C)cn1C ZINC000402652039 484533472 /nfs/dbraw/zinc/53/34/72/484533472.db2.gz HDGSPHKEWBWPEZ-NSHDSACASA-N -1 0 355.376 -0.778 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCN1C(=O)CCC1=O ZINC000405360546 601244393 /nfs/dbraw/zinc/24/43/93/601244393.db2.gz CRWXJBVOOFZXOP-UHFFFAOYSA-N -1 0 356.356 -0.179 20 0 FBADRM O=C([O-])CCOc1ccc(S(=O)(=O)NCCN2C(=O)CCC2=O)cc1 ZINC000405362911 600312100 /nfs/dbraw/zinc/31/21/00/600312100.db2.gz GEYGBZBOGBMXEW-UHFFFAOYSA-N -1 0 370.383 -0.033 20 0 FBADRM COc1ccc(S(=O)(=O)NCCN2C(=O)CCC2=O)cc1C(=O)[O-] ZINC000405365397 844631195 /nfs/dbraw/zinc/63/11/95/844631195.db2.gz JDIRUUUVZMPXCD-UHFFFAOYSA-N -1 0 356.356 -0.179 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)NCCN2C(=O)CCC2=O)cc1 ZINC000405381358 600312009 /nfs/dbraw/zinc/31/20/09/600312009.db2.gz XPMJJZHJVWHUHI-UHFFFAOYSA-N -1 0 356.356 -0.423 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCN1C(=O)CCCC1=O ZINC000405504551 484225477 /nfs/dbraw/zinc/22/54/77/484225477.db2.gz UYKRGTPPAXVCNQ-UHFFFAOYSA-N -1 0 361.401 -0.253 20 0 FBADRM NS(=O)(=O)c1ccc(NCCN2CCCS2(=O)=O)c(C(=O)[O-])c1 ZINC000405939337 484564975 /nfs/dbraw/zinc/56/49/75/484564975.db2.gz LUATYUYJMULHMN-UHFFFAOYSA-N -1 0 363.417 -0.520 20 0 FBADRM O=C([O-])c1ccc(CS(=O)(=O)NCCN2CCCS2(=O)=O)cc1 ZINC000405963842 484566930 /nfs/dbraw/zinc/56/69/30/484566930.db2.gz BYQXCBHUFGKXIT-UHFFFAOYSA-N -1 0 362.429 -0.160 20 0 FBADRM O=C([O-])c1cccc(CS(=O)(=O)NCCN2CCCS2(=O)=O)c1 ZINC000405971145 484296379 /nfs/dbraw/zinc/29/63/79/484296379.db2.gz GFKDLTNAKPQYJI-UHFFFAOYSA-N -1 0 362.429 -0.160 20 0 FBADRM O=C([O-])Cc1ccc(S(=O)(=O)NCCN2CCCS2(=O)=O)cc1 ZINC000405972032 484298331 /nfs/dbraw/zinc/29/83/31/484298331.db2.gz GOAWOSRTIPIYFJ-UHFFFAOYSA-N -1 0 362.429 -0.373 20 0 FBADRM Cc1oc(C)c(S(=O)(=O)NCCN2CCCS2(=O)=O)c1C(=O)[O-] ZINC000405980679 484568101 /nfs/dbraw/zinc/56/81/01/484568101.db2.gz JLENYAZEWZALLN-UHFFFAOYSA-N -1 0 366.417 -0.092 20 0 FBADRM O=C([O-])c1sccc1S(=O)(=O)NCCN1CCCS1(=O)=O ZINC000405982742 484568613 /nfs/dbraw/zinc/56/86/13/484568613.db2.gz JXCADMJGZFVJOS-UHFFFAOYSA-N -1 0 354.431 -0.240 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NCCN2CCCS2(=O)=O)cs1 ZINC000405982892 484568786 /nfs/dbraw/zinc/56/87/86/484568786.db2.gz JYWAAEJSJNMQHS-UHFFFAOYSA-N -1 0 354.431 -0.240 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)NCCN2CCCS2(=O)=O)s1 ZINC000405995315 484568179 /nfs/dbraw/zinc/56/81/79/484568179.db2.gz ODNAQZWBNZPCIS-UHFFFAOYSA-N -1 0 354.431 -0.240 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCCN1CCCS1(=O)=O ZINC000405996838 484568791 /nfs/dbraw/zinc/56/87/91/484568791.db2.gz ORHQFHRCZWBKCQ-UHFFFAOYSA-N -1 0 352.390 -0.400 20 0 FBADRM O=C([O-])c1ncsc1S(=O)(=O)NCCN1CCCS1(=O)=O ZINC000405999353 484568414 /nfs/dbraw/zinc/56/84/14/484568414.db2.gz PKGSHJQTJRDXBY-UHFFFAOYSA-N -1 0 355.419 -0.845 20 0 FBADRM CCn1cc(S(=O)(=O)NCCN2CCCS2(=O)=O)cc1C(=O)[O-] ZINC000406004053 484568772 /nfs/dbraw/zinc/56/87/72/484568772.db2.gz RCZKDCGPXPVGOV-UHFFFAOYSA-N -1 0 365.433 -0.480 20 0 FBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)NCCN2CCCS2(=O)=O)c1 ZINC000406004311 844661722 /nfs/dbraw/zinc/66/17/22/844661722.db2.gz RIWZMBISCPNUCS-UHFFFAOYSA-N -1 0 366.392 -0.162 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)NCCN2CCCS2(=O)=O)c(F)c1 ZINC000406005041 484147502 /nfs/dbraw/zinc/14/75/02/484147502.db2.gz RRYSZJVHDDEKFZ-UHFFFAOYSA-N -1 0 366.392 -0.162 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCN1CCCS1(=O)=O ZINC000406006503 484230743 /nfs/dbraw/zinc/23/07/43/484230743.db2.gz SCSWLIUSPJNLGK-UHFFFAOYSA-N -1 0 369.446 -0.757 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NCCN2CCCS2(=O)=O)ccc1F ZINC000406015494 601230296 /nfs/dbraw/zinc/23/02/96/601230296.db2.gz XIAMGBAXRYETAJ-UHFFFAOYSA-N -1 0 366.392 -0.162 20 0 FBADRM Cn1cc(S(=O)(=O)NCCN2CCCS2(=O)=O)cc1C(=O)[O-] ZINC000406018495 484569771 /nfs/dbraw/zinc/56/97/71/484569771.db2.gz YOQXIBJNEUHJFF-UHFFFAOYSA-N -1 0 351.406 -0.963 20 0 FBADRM O=C([O-])c1csc(S(=O)(=O)NCCN2CCCS2(=O)=O)c1 ZINC000406020357 484569994 /nfs/dbraw/zinc/56/99/94/484569994.db2.gz ZPWORIBVCGIFCM-UHFFFAOYSA-N -1 0 354.431 -0.240 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)NCCN2CCCS2(=O)=O)cc1F ZINC000406020808 484569547 /nfs/dbraw/zinc/56/95/47/484569547.db2.gz ZVBPSEBLYBDPHI-UHFFFAOYSA-N -1 0 366.392 -0.162 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)cn1 ZINC000407961892 484362425 /nfs/dbraw/zinc/36/24/25/484362425.db2.gz BKAQTDGHSWOMRI-HTQZYQBOSA-N -1 0 354.310 -0.318 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)cn1 ZINC000407961895 484361610 /nfs/dbraw/zinc/36/16/10/484361610.db2.gz BKAQTDGHSWOMRI-JGVFFNPUSA-N -1 0 354.310 -0.318 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)cn1 ZINC000407961896 484361913 /nfs/dbraw/zinc/36/19/13/484361913.db2.gz BKAQTDGHSWOMRI-SFYZADRCSA-N -1 0 354.310 -0.318 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)cn1 ZINC000407961897 484361552 /nfs/dbraw/zinc/36/15/52/484361552.db2.gz BKAQTDGHSWOMRI-YUMQZZPRSA-N -1 0 354.310 -0.318 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CN2C(=O)NC3(CCCC3)C2=O)cn1 ZINC000407965945 484363631 /nfs/dbraw/zinc/36/36/31/484363631.db2.gz ODTVRGQYMJSOQC-UHFFFAOYSA-N -1 0 355.376 -0.910 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cn1 ZINC000407966230 484364118 /nfs/dbraw/zinc/36/41/18/484364118.db2.gz OQKLCMSUCUIYDF-PHIMTYICSA-N -1 0 354.388 -0.600 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cn1 ZINC000407966237 484364853 /nfs/dbraw/zinc/36/48/53/484364853.db2.gz OQKLCMSUCUIYDF-QWRGUYRKSA-N -1 0 354.388 -0.600 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)c1cnn(C)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000407966477 484364298 /nfs/dbraw/zinc/36/42/98/484364298.db2.gz PJIOJSZTGSYWCE-JLLWLGSASA-N -1 0 368.415 -0.211 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)c1cnn(C)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000407966483 484364972 /nfs/dbraw/zinc/36/49/72/484364972.db2.gz PJIOJSZTGSYWCE-USWWRNFRSA-N -1 0 368.415 -0.211 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)c1cnn(C)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000407966486 484364774 /nfs/dbraw/zinc/36/47/74/484364774.db2.gz PJIOJSZTGSYWCE-YUSALJHKSA-N -1 0 368.415 -0.211 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cnn(C)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000407966487 484364182 /nfs/dbraw/zinc/36/41/82/484364182.db2.gz PJIOJSZTGSYWCE-ZMLRMANQSA-N -1 0 368.415 -0.211 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CN2C(=O)NC3(CCCCC3)C2=O)cn1 ZINC000407967595 484365032 /nfs/dbraw/zinc/36/50/32/484365032.db2.gz SFKBOMAQJYUXQH-UHFFFAOYSA-N -1 0 369.403 -0.520 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)CC1 ZINC000407975995 484374276 /nfs/dbraw/zinc/37/42/76/484374276.db2.gz RUXKBAKOPMMWTB-GFCCVEGCSA-N -1 0 368.477 -0.327 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)CC1 ZINC000407975997 484374742 /nfs/dbraw/zinc/37/47/42/484374742.db2.gz RUXKBAKOPMMWTB-LBPRGKRZSA-N -1 0 368.477 -0.327 20 0 FBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000407981406 484378109 /nfs/dbraw/zinc/37/81/09/484378109.db2.gz UABFRGJKGRLIDT-LLVKDONJSA-N -1 0 373.431 -0.134 20 0 FBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000407981415 484377573 /nfs/dbraw/zinc/37/75/73/484377573.db2.gz UABFRGJKGRLIDT-NSHDSACASA-N -1 0 373.431 -0.134 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)[C@H]1COCCN1CC(F)F ZINC000408008031 484389329 /nfs/dbraw/zinc/38/93/29/484389329.db2.gz MJKSRPQDIKXDQA-SECBINFHSA-N -1 0 364.374 -0.400 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)[C@@H]1COCCN1CC(F)F ZINC000408008036 484389175 /nfs/dbraw/zinc/38/91/75/484389175.db2.gz MJKSRPQDIKXDQA-VIFPVBQESA-N -1 0 364.374 -0.400 20 0 FBADRM C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000408010575 484391210 /nfs/dbraw/zinc/39/12/10/484391210.db2.gz PFXVPEKXGSIUNN-GRYCIOLGSA-N -1 0 372.447 -0.011 20 0 FBADRM C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000408010576 484390574 /nfs/dbraw/zinc/39/05/74/484390574.db2.gz PFXVPEKXGSIUNN-IJLUTSLNSA-N -1 0 372.447 -0.011 20 0 FBADRM C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000408010577 484390757 /nfs/dbraw/zinc/39/07/57/484390757.db2.gz PFXVPEKXGSIUNN-UTUOFQBUSA-N -1 0 372.447 -0.011 20 0 FBADRM C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000408010578 484390616 /nfs/dbraw/zinc/39/06/16/484390616.db2.gz PFXVPEKXGSIUNN-WOPDTQHZSA-N -1 0 372.447 -0.011 20 0 FBADRM CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000408039382 484415445 /nfs/dbraw/zinc/41/54/45/484415445.db2.gz XATCPWUXUVKQPI-JQWIXIFHSA-N -1 0 350.375 -0.662 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)co1 ZINC000408062795 483462299 /nfs/dbraw/zinc/46/22/99/483462299.db2.gz RGFRIVUOJYWMTD-SECBINFHSA-N -1 0 352.390 -0.622 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)co1 ZINC000408062798 483462429 /nfs/dbraw/zinc/46/24/29/483462429.db2.gz RGFRIVUOJYWMTD-VIFPVBQESA-N -1 0 352.390 -0.622 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000408088132 484540143 /nfs/dbraw/zinc/54/01/43/484540143.db2.gz DVMFHFGBKHJVTN-UHFFFAOYSA-N -1 0 359.408 -0.236 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000408091384 484538892 /nfs/dbraw/zinc/53/88/92/484538892.db2.gz OKSKAYCZCPHRHN-JTQLQIEISA-N -1 0 356.404 0.019 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000408091388 484539433 /nfs/dbraw/zinc/53/94/33/484539433.db2.gz OKSKAYCZCPHRHN-SNVBAGLBSA-N -1 0 356.404 0.019 20 0 FBADRM C[C@H]1CN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CCN1S(C)(=O)=O ZINC000408120450 483609315 /nfs/dbraw/zinc/60/93/15/483609315.db2.gz GTQCNFHEFJHQMJ-NSHDSACASA-N -1 0 372.472 -0.026 20 0 FBADRM O=C([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)[C@H]1COCCO1 ZINC000408122350 483611350 /nfs/dbraw/zinc/61/13/50/483611350.db2.gz JBFURYLYAKADLF-LLVKDONJSA-N -1 0 358.347 -0.069 20 0 FBADRM O=C([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)[C@@H]1COCCO1 ZINC000408122351 483612147 /nfs/dbraw/zinc/61/21/47/483612147.db2.gz JBFURYLYAKADLF-NSHDSACASA-N -1 0 358.347 -0.069 20 0 FBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)C1 ZINC000408123138 483611669 /nfs/dbraw/zinc/61/16/69/483611669.db2.gz NQPAOISPTDQMRK-UHFFFAOYSA-N -1 0 369.374 -0.006 20 0 FBADRM CN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000408124386 483614235 /nfs/dbraw/zinc/61/42/35/483614235.db2.gz UTMAOMDMTBAXLJ-GFCCVEGCSA-N -1 0 371.390 -0.154 20 0 FBADRM CN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000408124387 483614382 /nfs/dbraw/zinc/61/43/82/483614382.db2.gz UTMAOMDMTBAXLJ-LBPRGKRZSA-N -1 0 371.390 -0.154 20 0 FBADRM O=C([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)[C@H]1CNC(=O)C1 ZINC000408125318 483613964 /nfs/dbraw/zinc/61/39/64/483613964.db2.gz ZPHXWBKQZSPMGT-MRVPVSSYSA-N -1 0 355.347 -0.349 20 0 FBADRM O=C([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)[C@@H]1CNC(=O)C1 ZINC000408125319 483614053 /nfs/dbraw/zinc/61/40/53/483614053.db2.gz ZPHXWBKQZSPMGT-QMMMGPOBSA-N -1 0 355.347 -0.349 20 0 FBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1ccc2c(c1)NC(=O)CNC2=O ZINC000408129552 483618147 /nfs/dbraw/zinc/61/81/47/483618147.db2.gz AJULOVBENJHETK-SECBINFHSA-N -1 0 353.356 -0.783 20 0 FBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1ccc2c(c1)NC(=O)CNC2=O ZINC000408129553 483618759 /nfs/dbraw/zinc/61/87/59/483618759.db2.gz AJULOVBENJHETK-VIFPVBQESA-N -1 0 353.356 -0.783 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)nnn1-c1ccn(C)n1 ZINC000408133863 483620781 /nfs/dbraw/zinc/62/07/81/483620781.db2.gz RATIBEVARHTHII-JTQLQIEISA-N -1 0 354.392 -0.452 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)nnn1-c1ccn(C)n1 ZINC000408133866 483620622 /nfs/dbraw/zinc/62/06/22/483620622.db2.gz RATIBEVARHTHII-SNVBAGLBSA-N -1 0 354.392 -0.452 20 0 FBADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1ccc2c(c1)NC(=O)CNC2=O ZINC000408133999 483619929 /nfs/dbraw/zinc/61/99/29/483619929.db2.gz RRVGTIQSYOAJFE-JTQLQIEISA-N -1 0 367.383 -0.393 20 0 FBADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1ccc2c(c1)NC(=O)CNC2=O ZINC000408134000 483620914 /nfs/dbraw/zinc/62/09/14/483620914.db2.gz RRVGTIQSYOAJFE-SNVBAGLBSA-N -1 0 367.383 -0.393 20 0 FBADRM C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000408145751 483641766 /nfs/dbraw/zinc/64/17/66/483641766.db2.gz UVCGJMXDJCEOBS-CMPLNLGQSA-N -1 0 351.407 -0.231 20 0 FBADRM C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000408145752 483641702 /nfs/dbraw/zinc/64/17/02/483641702.db2.gz UVCGJMXDJCEOBS-JQWIXIFHSA-N -1 0 351.407 -0.231 20 0 FBADRM C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000408145753 483642323 /nfs/dbraw/zinc/64/23/23/483642323.db2.gz UVCGJMXDJCEOBS-PWSUYJOCSA-N -1 0 351.407 -0.231 20 0 FBADRM C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000408145754 483641860 /nfs/dbraw/zinc/64/18/60/483641860.db2.gz UVCGJMXDJCEOBS-ZYHUDNBSSA-N -1 0 351.407 -0.231 20 0 FBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000408164277 483764687 /nfs/dbraw/zinc/76/46/87/483764687.db2.gz HMTVAJCKEQDSDL-NXEZZACHSA-N -1 0 356.404 -0.238 20 0 FBADRM NC(=O)[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000408164280 483685571 /nfs/dbraw/zinc/68/55/71/483685571.db2.gz HMTVAJCKEQDSDL-UWVGGRQHSA-N -1 0 356.404 -0.238 20 0 FBADRM NC(=O)[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000408164281 483685633 /nfs/dbraw/zinc/68/56/33/483685633.db2.gz HMTVAJCKEQDSDL-VHSXEESVSA-N -1 0 356.404 -0.238 20 0 FBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000408164282 483685656 /nfs/dbraw/zinc/68/56/56/483685656.db2.gz HMTVAJCKEQDSDL-ZJUUUORDSA-N -1 0 356.404 -0.238 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn2c1OCCC2)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000408164778 483689382 /nfs/dbraw/zinc/68/93/82/483689382.db2.gz JOPIVZVTLXIUSF-SECBINFHSA-N -1 0 354.388 -0.519 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn2c1OCCC2)[C@H]1CC(=O)N(C2CC2)C1 ZINC000408164779 483689795 /nfs/dbraw/zinc/68/97/95/483689795.db2.gz JOPIVZVTLXIUSF-VIFPVBQESA-N -1 0 354.388 -0.519 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn2c1OCCC2)c1cnn2c1OCCC2 ZINC000408164796 483689692 /nfs/dbraw/zinc/68/96/92/483689692.db2.gz JUTNCWOUUHWGNO-UHFFFAOYSA-N -1 0 353.360 -0.237 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn2c1OCCC2)c1cc2n(n1)CCCO2 ZINC000408167489 483698522 /nfs/dbraw/zinc/69/85/22/483698522.db2.gz XVXONYQNBMILRM-UHFFFAOYSA-N -1 0 353.360 -0.237 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cnn(C)c2)C1 ZINC000408182081 483728582 /nfs/dbraw/zinc/72/85/82/483728582.db2.gz HFANAGPQZJBZIH-JTQLQIEISA-N -1 0 364.449 -0.713 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2C)c(C(F)(F)F)n1 ZINC000408192169 483761081 /nfs/dbraw/zinc/76/10/81/483761081.db2.gz LMKYGAODWVIHHK-SSDOTTSWSA-N -1 0 356.326 -0.426 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2C)c(C(F)(F)F)n1 ZINC000408192172 483761287 /nfs/dbraw/zinc/76/12/87/483761287.db2.gz LMKYGAODWVIHHK-ZETCQYMHSA-N -1 0 356.326 -0.426 20 0 FBADRM CN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000408194015 483772447 /nfs/dbraw/zinc/77/24/47/483772447.db2.gz VVTYJAXWGYAGCM-CYBMUJFWSA-N -1 0 353.400 -0.293 20 0 FBADRM CN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000408194016 483772433 /nfs/dbraw/zinc/77/24/33/483772433.db2.gz VVTYJAXWGYAGCM-ZDUSSCGKSA-N -1 0 353.400 -0.293 20 0 FBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC000408194302 483772788 /nfs/dbraw/zinc/77/27/88/483772788.db2.gz XHHFVTGQXMHHDF-UHFFFAOYSA-N -1 0 354.310 -0.278 20 0 FBADRM CN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000408204218 483803788 /nfs/dbraw/zinc/80/37/88/483803788.db2.gz GKNAWZXVFMOARR-SECBINFHSA-N -1 0 364.221 -0.020 20 0 FBADRM CN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000408204221 483803416 /nfs/dbraw/zinc/80/34/16/483803416.db2.gz GKNAWZXVFMOARR-VIFPVBQESA-N -1 0 364.221 -0.020 20 0 FBADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)[C@H]1COCCN1CC(F)(F)F ZINC000408215891 483832502 /nfs/dbraw/zinc/83/25/02/483832502.db2.gz UNYDADKSYXESGP-NXEZZACHSA-N -1 0 360.354 -0.126 20 0 FBADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)[C@@H]1COCCN1CC(F)(F)F ZINC000408215894 483832771 /nfs/dbraw/zinc/83/27/71/483832771.db2.gz UNYDADKSYXESGP-UWVGGRQHSA-N -1 0 360.354 -0.126 20 0 FBADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)[C@H]1COCCN1CC(F)(F)F ZINC000408215896 483832672 /nfs/dbraw/zinc/83/26/72/483832672.db2.gz UNYDADKSYXESGP-VHSXEESVSA-N -1 0 360.354 -0.126 20 0 FBADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)[C@@H]1COCCN1CC(F)(F)F ZINC000408215898 483832649 /nfs/dbraw/zinc/83/26/49/483832649.db2.gz UNYDADKSYXESGP-ZJUUUORDSA-N -1 0 360.354 -0.126 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)[C@H]1COCCN1CC(F)(F)F ZINC000408216100 483832412 /nfs/dbraw/zinc/83/24/12/483832412.db2.gz GSFORKRJCKNBLN-NXEZZACHSA-N -1 0 360.354 -0.126 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)[C@@H]1COCCN1CC(F)(F)F ZINC000408216101 483832476 /nfs/dbraw/zinc/83/24/76/483832476.db2.gz GSFORKRJCKNBLN-UWVGGRQHSA-N -1 0 360.354 -0.126 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)[C@H]1COCCN1CC(F)(F)F ZINC000408216102 483832764 /nfs/dbraw/zinc/83/27/64/483832764.db2.gz GSFORKRJCKNBLN-VHSXEESVSA-N -1 0 360.354 -0.126 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)[C@@H]1COCCN1CC(F)(F)F ZINC000408216103 483832789 /nfs/dbraw/zinc/83/27/89/483832789.db2.gz GSFORKRJCKNBLN-ZJUUUORDSA-N -1 0 360.354 -0.126 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)[C@H]3COCCN3C)cc2n(C)c1=O ZINC000408240795 483854859 /nfs/dbraw/zinc/85/48/59/483854859.db2.gz FXVKFFVTSUDOKY-CYBMUJFWSA-N -1 0 368.415 -0.988 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)[C@@H]3COCCN3C)cc2n(C)c1=O ZINC000408240797 483855112 /nfs/dbraw/zinc/85/51/12/483855112.db2.gz FXVKFFVTSUDOKY-ZDUSSCGKSA-N -1 0 368.415 -0.988 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)[C@H]3COCCN3C)cc2C1=O ZINC000408240921 483855329 /nfs/dbraw/zinc/85/53/29/483855329.db2.gz GPOLTKLCQGKFJW-GFCCVEGCSA-N -1 0 367.383 -0.952 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)[C@@H]3COCCN3C)cc2C1=O ZINC000408240923 483855649 /nfs/dbraw/zinc/85/56/49/483855649.db2.gz GPOLTKLCQGKFJW-LBPRGKRZSA-N -1 0 367.383 -0.952 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCOC1)[C@H]1COCCN1CC(F)F ZINC000408253670 483859758 /nfs/dbraw/zinc/85/97/58/483859758.db2.gz IYLQBVMUVCMFHS-GHMZBOCLSA-N -1 0 356.391 -0.175 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCOC1)[C@@H]1COCCN1CC(F)F ZINC000408253671 483859693 /nfs/dbraw/zinc/85/96/93/483859693.db2.gz IYLQBVMUVCMFHS-MNOVXSKESA-N -1 0 356.391 -0.175 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCOC1)[C@@H]1COCCN1CC(F)F ZINC000408253672 483859574 /nfs/dbraw/zinc/85/95/74/483859574.db2.gz IYLQBVMUVCMFHS-QWRGUYRKSA-N -1 0 356.391 -0.175 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCOC1)[C@H]1COCCN1CC(F)F ZINC000408253673 483859752 /nfs/dbraw/zinc/85/97/52/483859752.db2.gz IYLQBVMUVCMFHS-WDEREUQCSA-N -1 0 356.391 -0.175 20 0 FBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000408255050 483859713 /nfs/dbraw/zinc/85/97/13/483859713.db2.gz QDYTZTGTWOZWBN-LLVKDONJSA-N -1 0 373.431 -0.276 20 0 FBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000408255051 483859706 /nfs/dbraw/zinc/85/97/06/483859706.db2.gz QDYTZTGTWOZWBN-NSHDSACASA-N -1 0 373.431 -0.276 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)C2(C)COC(C)(C)OC2)cc1C(N)=O ZINC000408269509 483863477 /nfs/dbraw/zinc/86/34/77/483863477.db2.gz JXTZHJNLNVEJDM-UHFFFAOYSA-N -1 0 359.404 -0.282 20 0 FBADRM O=C([N-]S(=O)(=O)c1cccnc1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000408333365 483887950 /nfs/dbraw/zinc/88/79/50/483887950.db2.gz DAHHHLNLXFUFIK-QWHCGFSZSA-N -1 0 369.399 -0.707 20 0 FBADRM O=C([N-]S(=O)(=O)CC1CCC1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000408333525 483888057 /nfs/dbraw/zinc/88/80/57/483888057.db2.gz FTXCORRKZAXDBV-QWHCGFSZSA-N -1 0 360.432 -0.361 20 0 FBADRM O=C([N-]S(=O)(=O)CC(F)(F)F)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000408333672 483888152 /nfs/dbraw/zinc/88/81/52/483888152.db2.gz GZIZZGUYSZREIB-DTWKUNHWSA-N -1 0 374.337 -0.599 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccccn1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000408334177 483888036 /nfs/dbraw/zinc/88/80/36/483888036.db2.gz MHOFJSCGMWSDAB-NWDGAFQWSA-N -1 0 369.399 -0.707 20 0 FBADRM O=C([N-]S(=O)(=O)c1cccs1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000408334350 483887993 /nfs/dbraw/zinc/88/79/93/483887993.db2.gz NYENLJOFFPDIDG-WDEREUQCSA-N -1 0 374.440 -0.041 20 0 FBADRM CN(C)C(=O)[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)O1 ZINC000408334364 483888347 /nfs/dbraw/zinc/88/83/47/483888347.db2.gz ODSPAHKJQJQMKE-VHSXEESVSA-N -1 0 356.404 -0.730 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccsc1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000408334586 483888472 /nfs/dbraw/zinc/88/84/72/483888472.db2.gz PNVORLXXMPMGSU-NWDGAFQWSA-N -1 0 374.440 -0.041 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)[N-]CC(F)(F)CO)CC1 ZINC000408334668 483888830 /nfs/dbraw/zinc/88/88/30/483888830.db2.gz BVCBLQZANRCFKG-UHFFFAOYSA-N -1 0 350.409 -0.795 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000408335844 483888789 /nfs/dbraw/zinc/88/87/89/483888789.db2.gz WWXMTOVYHODEEY-WDEREUQCSA-N -1 0 358.420 -0.522 20 0 FBADRM Cc1cc(C(=O)[N-]S(=O)(=O)C2(C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000408337879 483889043 /nfs/dbraw/zinc/88/90/43/483889043.db2.gz DTFVOKVBYKHTSB-UHFFFAOYSA-N -1 0 366.399 -0.447 20 0 FBADRM Cn1cc([C@H]2[C@H](C(=O)[N-]S(=O)(=O)C3(C)CC3)OCC(=O)N2C)cn1 ZINC000408338756 483889465 /nfs/dbraw/zinc/88/94/65/483889465.db2.gz ILBMDWXRWVOKTI-NWDGAFQWSA-N -1 0 356.404 -0.683 20 0 FBADRM Cn1c(=O)c2cc(C(=O)[N-]S(=O)(=O)C3(C)CC3)cnc2n(C)c1=O ZINC000408350026 483892074 /nfs/dbraw/zinc/89/20/74/483892074.db2.gz NRJZNJMRYVDAMV-UHFFFAOYSA-N -1 0 352.372 -0.756 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)C3(C)CC3)nc2n(C)c1=O ZINC000408350606 483893013 /nfs/dbraw/zinc/89/30/13/483893013.db2.gz SSZLDNNZXSERQN-UHFFFAOYSA-N -1 0 352.372 -0.756 20 0 FBADRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000408353321 483893247 /nfs/dbraw/zinc/89/32/47/483893247.db2.gz ANSQANLJTPEERP-GFCCVEGCSA-N -1 0 366.399 -0.257 20 0 FBADRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000408353322 483892852 /nfs/dbraw/zinc/89/28/52/483892852.db2.gz ANSQANLJTPEERP-LBPRGKRZSA-N -1 0 366.399 -0.257 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000408374421 483906293 /nfs/dbraw/zinc/90/62/93/483906293.db2.gz OYYBXTCZLSLYFO-UHFFFAOYSA-N -1 0 361.445 -0.052 20 0 FBADRM CC(C)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000408377816 483909690 /nfs/dbraw/zinc/90/96/90/483909690.db2.gz ABBHRQLTOIQFMR-GHMZBOCLSA-N -1 0 366.461 -0.876 20 0 FBADRM CC(C)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000408377817 483909680 /nfs/dbraw/zinc/90/96/80/483909680.db2.gz ABBHRQLTOIQFMR-MNOVXSKESA-N -1 0 366.461 -0.876 20 0 FBADRM CC(C)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000408377818 483910096 /nfs/dbraw/zinc/91/00/96/483910096.db2.gz ABBHRQLTOIQFMR-QWRGUYRKSA-N -1 0 366.461 -0.876 20 0 FBADRM CC(C)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000408377820 483909894 /nfs/dbraw/zinc/90/98/94/483909894.db2.gz ABBHRQLTOIQFMR-WDEREUQCSA-N -1 0 366.461 -0.876 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)n(C)c1 ZINC000408380359 483910355 /nfs/dbraw/zinc/91/03/55/483910355.db2.gz XYNNZTNZIGONDN-SECBINFHSA-N -1 0 365.433 -0.876 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)n(C)c1 ZINC000408380360 483910653 /nfs/dbraw/zinc/91/06/53/483910653.db2.gz XYNNZTNZIGONDN-VIFPVBQESA-N -1 0 365.433 -0.876 20 0 FBADRM CS(=O)(=O)N1CCc2cc(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)ccc21 ZINC000408382512 483911534 /nfs/dbraw/zinc/91/15/34/483911534.db2.gz DBZWGZAAFQQFIK-GFCCVEGCSA-N -1 0 374.440 -0.143 20 0 FBADRM CS(=O)(=O)N1CCc2cc(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)ccc21 ZINC000408382514 483911438 /nfs/dbraw/zinc/91/14/38/483911438.db2.gz DBZWGZAAFQQFIK-LBPRGKRZSA-N -1 0 374.440 -0.143 20 0 FBADRM CN1C(=O)N(CC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)C(=O)C12CCCCC2 ZINC000408386314 483913764 /nfs/dbraw/zinc/91/37/64/483913764.db2.gz OLSFWQUBFMSFEO-LLVKDONJSA-N -1 0 373.431 -0.182 20 0 FBADRM CN1C(=O)N(CC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)C(=O)C12CCCCC2 ZINC000408386315 483913978 /nfs/dbraw/zinc/91/39/78/483913978.db2.gz OLSFWQUBFMSFEO-NSHDSACASA-N -1 0 373.431 -0.182 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408387242 483914310 /nfs/dbraw/zinc/91/43/10/483914310.db2.gz QYYMGHNHOKQSLL-DDHJBXDOSA-N -1 0 358.416 -0.215 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408387244 483914094 /nfs/dbraw/zinc/91/40/94/483914094.db2.gz QYYMGHNHOKQSLL-KKOKHZNYSA-N -1 0 358.416 -0.215 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCOC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408387246 483914484 /nfs/dbraw/zinc/91/44/84/483914484.db2.gz QYYMGHNHOKQSLL-KXNHARMFSA-N -1 0 358.416 -0.215 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408387248 483914044 /nfs/dbraw/zinc/91/40/44/483914044.db2.gz QYYMGHNHOKQSLL-WYUUTHIRSA-N -1 0 358.416 -0.215 20 0 FBADRM O=C(CCN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000408387324 483914064 /nfs/dbraw/zinc/91/40/64/483914064.db2.gz RGEBXHJWNHVDKJ-JTQLQIEISA-N -1 0 359.404 -0.524 20 0 FBADRM O=C(CCN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000408387326 483914285 /nfs/dbraw/zinc/91/42/85/483914285.db2.gz RGEBXHJWNHVDKJ-SNVBAGLBSA-N -1 0 359.404 -0.524 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)o1 ZINC000408388667 483936297 /nfs/dbraw/zinc/93/62/97/483936297.db2.gz FBCIHNNIJCQAEK-MRVPVSSYSA-N -1 0 352.390 -0.622 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)o1 ZINC000408388668 483914252 /nfs/dbraw/zinc/91/42/52/483914252.db2.gz FBCIHNNIJCQAEK-QMMMGPOBSA-N -1 0 352.390 -0.622 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c1 ZINC000408388955 483914025 /nfs/dbraw/zinc/91/40/25/483914025.db2.gz GSQNKFNLYNITFC-MRVPVSSYSA-N -1 0 351.406 -0.887 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1 ZINC000408388959 483913730 /nfs/dbraw/zinc/91/37/30/483913730.db2.gz GSQNKFNLYNITFC-QMMMGPOBSA-N -1 0 351.406 -0.887 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)C1 ZINC000408389525 483914981 /nfs/dbraw/zinc/91/49/81/483914981.db2.gz LFUABMDJIGWHDI-GHMZBOCLSA-N -1 0 354.450 -0.717 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)C1 ZINC000408389526 483915404 /nfs/dbraw/zinc/91/54/04/483915404.db2.gz LFUABMDJIGWHDI-MNOVXSKESA-N -1 0 354.450 -0.717 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)C1 ZINC000408389527 483915022 /nfs/dbraw/zinc/91/50/22/483915022.db2.gz LFUABMDJIGWHDI-QWRGUYRKSA-N -1 0 354.450 -0.717 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)C1 ZINC000408389528 483915317 /nfs/dbraw/zinc/91/53/17/483915317.db2.gz LFUABMDJIGWHDI-WDEREUQCSA-N -1 0 354.450 -0.717 20 0 FBADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000408389887 658906906 /nfs/dbraw/zinc/90/69/06/658906906.db2.gz PBVOEJUBGWSTDV-JTQLQIEISA-N -1 0 359.404 -0.524 20 0 FBADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000408389888 658906779 /nfs/dbraw/zinc/90/67/79/658906779.db2.gz PBVOEJUBGWSTDV-SNVBAGLBSA-N -1 0 359.404 -0.524 20 0 FBADRM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)C2=O ZINC000408390478 483915928 /nfs/dbraw/zinc/91/59/28/483915928.db2.gz VXOCYYCJQYQNMH-HFAKWTLXSA-N -1 0 373.431 -0.278 20 0 FBADRM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)[N-]S(=O)(=O)[C@H]1CCOC1)C2=O ZINC000408390479 483916620 /nfs/dbraw/zinc/91/66/20/483916620.db2.gz VXOCYYCJQYQNMH-JRPNMDOOSA-N -1 0 373.431 -0.278 20 0 FBADRM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)C2=O ZINC000408390480 483916410 /nfs/dbraw/zinc/91/64/10/483916410.db2.gz VXOCYYCJQYQNMH-UEKVPHQBSA-N -1 0 373.431 -0.278 20 0 FBADRM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)[N-]S(=O)(=O)[C@H]1CCOC1)C2=O ZINC000408390481 483916133 /nfs/dbraw/zinc/91/61/33/483916133.db2.gz VXOCYYCJQYQNMH-ZETOZRRWSA-N -1 0 373.431 -0.278 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)C1=O ZINC000408400891 483935653 /nfs/dbraw/zinc/93/56/53/483935653.db2.gz YGEBYBWKNFMVJX-HZMBPMFUSA-N -1 0 359.404 -0.668 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)C1=O ZINC000408400892 483935781 /nfs/dbraw/zinc/93/57/81/483935781.db2.gz YGEBYBWKNFMVJX-IINYFYTJSA-N -1 0 359.404 -0.668 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)C1=O ZINC000408400893 483935722 /nfs/dbraw/zinc/93/57/22/483935722.db2.gz YGEBYBWKNFMVJX-QMTHXVAHSA-N -1 0 359.404 -0.668 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)C1=O ZINC000408400894 483937058 /nfs/dbraw/zinc/93/70/58/483937058.db2.gz YGEBYBWKNFMVJX-YGRLFVJLSA-N -1 0 359.404 -0.668 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)c1 ZINC000408401289 483937463 /nfs/dbraw/zinc/93/74/63/483937463.db2.gz BAVGZAITCVHZAB-SECBINFHSA-N -1 0 365.433 -0.496 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)c1 ZINC000408401290 483937379 /nfs/dbraw/zinc/93/73/79/483937379.db2.gz BAVGZAITCVHZAB-VIFPVBQESA-N -1 0 365.433 -0.496 20 0 FBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000408401565 483937662 /nfs/dbraw/zinc/93/76/62/483937662.db2.gz CMFNUEUMAWXDRO-JTQLQIEISA-N -1 0 359.404 -0.524 20 0 FBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000408401566 483937634 /nfs/dbraw/zinc/93/76/34/483937634.db2.gz CMFNUEUMAWXDRO-SNVBAGLBSA-N -1 0 359.404 -0.524 20 0 FBADRM O=C(CCN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000408403485 483940604 /nfs/dbraw/zinc/94/06/04/483940604.db2.gz LVIDSFKNTCOVCP-LLVKDONJSA-N -1 0 373.431 -0.134 20 0 FBADRM O=C(CCN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000408403488 483940028 /nfs/dbraw/zinc/94/00/28/483940028.db2.gz LVIDSFKNTCOVCP-NSHDSACASA-N -1 0 373.431 -0.134 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000408405099 483948329 /nfs/dbraw/zinc/94/83/29/483948329.db2.gz BRKDOMXRBADZEX-IJLUTSLNSA-N -1 0 358.416 -0.213 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000408405106 483949551 /nfs/dbraw/zinc/94/95/51/483949551.db2.gz BRKDOMXRBADZEX-QJPTWQEYSA-N -1 0 358.416 -0.213 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000408405110 483949890 /nfs/dbraw/zinc/94/98/90/483949890.db2.gz BRKDOMXRBADZEX-SDDRHHMPSA-N -1 0 358.416 -0.213 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000408405114 483949710 /nfs/dbraw/zinc/94/97/10/483949710.db2.gz BRKDOMXRBADZEX-UTUOFQBUSA-N -1 0 358.416 -0.213 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)CC1 ZINC000408405704 483952557 /nfs/dbraw/zinc/95/25/57/483952557.db2.gz FSPFBADIQXWILZ-GFCCVEGCSA-N -1 0 368.477 -0.327 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)CC1 ZINC000408405705 483954117 /nfs/dbraw/zinc/95/41/17/483954117.db2.gz FSPFBADIQXWILZ-LBPRGKRZSA-N -1 0 368.477 -0.327 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)o1 ZINC000408406409 483956361 /nfs/dbraw/zinc/95/63/61/483956361.db2.gz HMBAQIWCFDYGEY-SECBINFHSA-N -1 0 366.417 -0.232 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)o1 ZINC000408406411 483957049 /nfs/dbraw/zinc/95/70/49/483957049.db2.gz HMBAQIWCFDYGEY-VIFPVBQESA-N -1 0 366.417 -0.232 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)C1 ZINC000408407990 483966641 /nfs/dbraw/zinc/96/66/41/483966641.db2.gz NEHBJNVJRHAPRK-NEPJUHHUSA-N -1 0 368.477 -0.327 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)C1 ZINC000408407993 483966891 /nfs/dbraw/zinc/96/68/91/483966891.db2.gz NEHBJNVJRHAPRK-NWDGAFQWSA-N -1 0 368.477 -0.327 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)C1 ZINC000408407996 483966976 /nfs/dbraw/zinc/96/69/76/483966976.db2.gz NEHBJNVJRHAPRK-RYUDHWBXSA-N -1 0 368.477 -0.327 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)C1 ZINC000408407999 483965280 /nfs/dbraw/zinc/96/52/80/483965280.db2.gz NEHBJNVJRHAPRK-VXGBXAGGSA-N -1 0 368.477 -0.327 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)co1 ZINC000408408017 483966029 /nfs/dbraw/zinc/96/60/29/483966029.db2.gz NGIARCWQVHEZIK-JTQLQIEISA-N -1 0 366.417 -0.232 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)co1 ZINC000408408019 483965296 /nfs/dbraw/zinc/96/52/96/483965296.db2.gz NGIARCWQVHEZIK-SNVBAGLBSA-N -1 0 366.417 -0.232 20 0 FBADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000408408318 483970161 /nfs/dbraw/zinc/97/01/61/483970161.db2.gz OLUQLPQVWDRQBP-LLVKDONJSA-N -1 0 373.431 -0.134 20 0 FBADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000408408321 483972570 /nfs/dbraw/zinc/97/25/70/483972570.db2.gz OLUQLPQVWDRQBP-NSHDSACASA-N -1 0 373.431 -0.134 20 0 FBADRM O=C(c1c([O-])cccc1F)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000408414957 484022408 /nfs/dbraw/zinc/02/24/08/484022408.db2.gz MKACUWJSCZCIIC-UHFFFAOYSA-N -1 0 373.406 -0.134 20 0 FBADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000408421367 484031499 /nfs/dbraw/zinc/03/14/99/484031499.db2.gz IWBVQDKNMOVXRI-LLVKDONJSA-N -1 0 373.431 -0.134 20 0 FBADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000408421368 484031054 /nfs/dbraw/zinc/03/10/54/484031054.db2.gz IWBVQDKNMOVXRI-NSHDSACASA-N -1 0 373.431 -0.134 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000408423304 484033403 /nfs/dbraw/zinc/03/34/03/484033403.db2.gz ABNSTGCWJRZVBN-NEPJUHHUSA-N -1 0 368.477 -0.327 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)C1 ZINC000408423305 484033287 /nfs/dbraw/zinc/03/32/87/484033287.db2.gz ABNSTGCWJRZVBN-NWDGAFQWSA-N -1 0 368.477 -0.327 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000408423306 484033506 /nfs/dbraw/zinc/03/35/06/484033506.db2.gz ABNSTGCWJRZVBN-RYUDHWBXSA-N -1 0 368.477 -0.327 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)C1 ZINC000408423307 484033388 /nfs/dbraw/zinc/03/33/88/484033388.db2.gz ABNSTGCWJRZVBN-VXGBXAGGSA-N -1 0 368.477 -0.327 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000408423517 484033361 /nfs/dbraw/zinc/03/33/61/484033361.db2.gz YULGTDJBTJJUON-IJLUTSLNSA-N -1 0 358.416 -0.213 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000408423519 484034061 /nfs/dbraw/zinc/03/40/61/484034061.db2.gz YULGTDJBTJJUON-QJPTWQEYSA-N -1 0 358.416 -0.213 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000408423521 484033172 /nfs/dbraw/zinc/03/31/72/484033172.db2.gz YULGTDJBTJJUON-SDDRHHMPSA-N -1 0 358.416 -0.213 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000408423523 484033871 /nfs/dbraw/zinc/03/38/71/484033871.db2.gz YULGTDJBTJJUON-UTUOFQBUSA-N -1 0 358.416 -0.213 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)CC1 ZINC000408423805 483877665 /nfs/dbraw/zinc/87/76/65/483877665.db2.gz ZIEJEEINQBOBCH-GFCCVEGCSA-N -1 0 368.477 -0.327 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC000408423807 484035313 /nfs/dbraw/zinc/03/53/13/484035313.db2.gz ZIEJEEINQBOBCH-LBPRGKRZSA-N -1 0 368.477 -0.327 20 0 FBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000408432452 484047322 /nfs/dbraw/zinc/04/73/22/484047322.db2.gz NHQSAIXDSMSXQM-JTQLQIEISA-N -1 0 359.404 -0.524 20 0 FBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000408432453 484047895 /nfs/dbraw/zinc/04/78/95/484047895.db2.gz NHQSAIXDSMSXQM-SNVBAGLBSA-N -1 0 359.404 -0.524 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccccn2)C1 ZINC000408442188 484191760 /nfs/dbraw/zinc/19/17/60/484191760.db2.gz KKZSCRZBFAEYEL-LLVKDONJSA-N -1 0 361.445 -0.052 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccccn2)C1 ZINC000408442191 484191804 /nfs/dbraw/zinc/19/18/04/484191804.db2.gz KKZSCRZBFAEYEL-NSHDSACASA-N -1 0 361.445 -0.052 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)c2ccccn2)CC1 ZINC000408442559 484191257 /nfs/dbraw/zinc/19/12/57/484191257.db2.gz LYLRCBGZMZHNDV-UHFFFAOYSA-N -1 0 361.445 -0.052 20 0 FBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000408445493 484196490 /nfs/dbraw/zinc/19/64/90/484196490.db2.gz ZQOFLENWGYNIKY-AXFHLTTASA-N -1 0 366.461 -0.734 20 0 FBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000408445496 484196778 /nfs/dbraw/zinc/19/67/78/484196778.db2.gz ZQOFLENWGYNIKY-DCAQKATOSA-N -1 0 366.461 -0.734 20 0 FBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000408445497 484196749 /nfs/dbraw/zinc/19/67/49/484196749.db2.gz ZQOFLENWGYNIKY-GARJFASQSA-N -1 0 366.461 -0.734 20 0 FBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000408445499 484196211 /nfs/dbraw/zinc/19/62/11/484196211.db2.gz ZQOFLENWGYNIKY-HBNTYKKESA-N -1 0 366.461 -0.734 20 0 FBADRM CO[C@@H]1COC[C@H]1n1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)nn1 ZINC000408447361 484203479 /nfs/dbraw/zinc/20/34/79/484203479.db2.gz XEPCFCBDJXQQTH-MVWJERBFSA-N -1 0 360.392 -0.897 20 0 FBADRM CO[C@@H]1COC[C@H]1n1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)nn1 ZINC000408447363 484204576 /nfs/dbraw/zinc/20/45/76/484204576.db2.gz XEPCFCBDJXQQTH-YUSALJHKSA-N -1 0 360.392 -0.897 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000408447686 484204491 /nfs/dbraw/zinc/20/44/91/484204491.db2.gz ZYYAANQPJGXYEI-UHFFFAOYSA-N -1 0 369.403 -0.602 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000408449763 484212902 /nfs/dbraw/zinc/21/29/02/484212902.db2.gz HOTRSKUIUVTMQV-APPZFPTMSA-N -1 0 368.337 -0.009 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000408449764 484212768 /nfs/dbraw/zinc/21/27/68/484212768.db2.gz HOTRSKUIUVTMQV-CBAPKCEASA-N -1 0 368.337 -0.009 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000408449765 484212528 /nfs/dbraw/zinc/21/25/28/484212528.db2.gz HOTRSKUIUVTMQV-IONNQARKSA-N -1 0 368.337 -0.009 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000408449766 484212355 /nfs/dbraw/zinc/21/23/55/484212355.db2.gz HOTRSKUIUVTMQV-VXNVDRBHSA-N -1 0 368.337 -0.009 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000408452340 484230956 /nfs/dbraw/zinc/23/09/56/484230956.db2.gz ONSDUHIDPCNTJT-GFCCVEGCSA-N -1 0 356.400 -0.017 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000408452342 484230564 /nfs/dbraw/zinc/23/05/64/484230564.db2.gz ONSDUHIDPCNTJT-LBPRGKRZSA-N -1 0 356.400 -0.017 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408455168 484238996 /nfs/dbraw/zinc/23/89/96/484238996.db2.gz WQHLKZXBYXBOAT-GHMZBOCLSA-N -1 0 368.415 -0.291 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408455174 484239318 /nfs/dbraw/zinc/23/93/18/484239318.db2.gz WQHLKZXBYXBOAT-PHIMTYICSA-N -1 0 368.415 -0.291 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408455175 484239384 /nfs/dbraw/zinc/23/93/84/484239384.db2.gz WQHLKZXBYXBOAT-QWRGUYRKSA-N -1 0 368.415 -0.291 20 0 FBADRM Cc1cc(C(=O)[N-]S(=O)(=O)C(C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000408470031 484276723 /nfs/dbraw/zinc/27/67/23/484276723.db2.gz XZVOABWMMXTXSL-UHFFFAOYSA-N -1 0 354.388 -0.591 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCc3nnn(C)c3C2)nc1C ZINC000408474631 484285065 /nfs/dbraw/zinc/28/50/65/484285065.db2.gz ICCMIMQTYOZXOZ-JTQLQIEISA-N -1 0 352.420 -0.050 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3nnn(C)c3C2)nc1C ZINC000408474632 484285475 /nfs/dbraw/zinc/28/54/75/484285475.db2.gz ICCMIMQTYOZXOZ-SNVBAGLBSA-N -1 0 352.420 -0.050 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)c1cn(C2CCOCC2)nn1 ZINC000408474911 484287016 /nfs/dbraw/zinc/28/70/16/484287016.db2.gz XTCIKIAUMXZFTI-UHFFFAOYSA-N -1 0 366.403 -0.109 20 0 FBADRM Cn1cc([C@H]2[C@@H](C(=O)[N-]S(=O)(=O)C3COC3)CCC(=O)N2C)cn1 ZINC000408475049 484285489 /nfs/dbraw/zinc/28/54/89/484285489.db2.gz BAODAHQSIKOWBX-AAEUAGOBSA-N -1 0 356.404 -0.826 20 0 FBADRM Cn1cc([C@@H]2[C@H](C(=O)[N-]S(=O)(=O)C3COC3)CCC(=O)N2C)cn1 ZINC000408475050 484285178 /nfs/dbraw/zinc/28/51/78/484285178.db2.gz BAODAHQSIKOWBX-DGCLKSJQSA-N -1 0 356.404 -0.826 20 0 FBADRM Cn1cc([C@@H]2[C@@H](C(=O)[N-]S(=O)(=O)C3COC3)CCC(=O)N2C)cn1 ZINC000408475051 484285360 /nfs/dbraw/zinc/28/53/60/484285360.db2.gz BAODAHQSIKOWBX-WCQYABFASA-N -1 0 356.404 -0.826 20 0 FBADRM Cn1cc([C@H]2[C@H](C(=O)[N-]S(=O)(=O)C3COC3)CCC(=O)N2C)cn1 ZINC000408475052 484285111 /nfs/dbraw/zinc/28/51/11/484285111.db2.gz BAODAHQSIKOWBX-YPMHNXCESA-N -1 0 356.404 -0.826 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000408475348 484540119 /nfs/dbraw/zinc/54/01/19/484540119.db2.gz DGFYODKKILNXHQ-NTSWFWBYSA-N -1 0 370.309 -0.173 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000408475349 484540222 /nfs/dbraw/zinc/54/02/22/484540222.db2.gz DGFYODKKILNXHQ-PHDIDXHHSA-N -1 0 370.309 -0.173 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000408475350 484540076 /nfs/dbraw/zinc/54/00/76/484540076.db2.gz DGFYODKKILNXHQ-RITPCOANSA-N -1 0 370.309 -0.173 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000408475351 484539441 /nfs/dbraw/zinc/53/94/41/484539441.db2.gz DGFYODKKILNXHQ-WDSKDSINSA-N -1 0 370.309 -0.173 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)F ZINC000408475657 484286623 /nfs/dbraw/zinc/28/66/23/484286623.db2.gz GITAXXXSYKRPFU-JTQLQIEISA-N -1 0 366.390 -0.192 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)F ZINC000408475658 484288520 /nfs/dbraw/zinc/28/85/20/484288520.db2.gz GITAXXXSYKRPFU-SNVBAGLBSA-N -1 0 366.390 -0.192 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccnn1C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408475673 484288739 /nfs/dbraw/zinc/28/87/39/484288739.db2.gz GKSNMEXANHXXDQ-GARJFASQSA-N -1 0 368.415 -0.211 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccnn1C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408475674 484289266 /nfs/dbraw/zinc/28/92/66/484289266.db2.gz GKSNMEXANHXXDQ-GMTAPVOTSA-N -1 0 368.415 -0.211 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccnn1C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408475675 484288607 /nfs/dbraw/zinc/28/86/07/484288607.db2.gz GKSNMEXANHXXDQ-MXWKQRLJSA-N -1 0 368.415 -0.211 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccnn1C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408475676 484288600 /nfs/dbraw/zinc/28/86/00/484288600.db2.gz GKSNMEXANHXXDQ-VWYCJHECSA-N -1 0 368.415 -0.211 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccnn2C)C1 ZINC000408475764 484287039 /nfs/dbraw/zinc/28/70/39/484287039.db2.gz HCTLROHJTAJWBT-JTQLQIEISA-N -1 0 364.449 -0.713 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccnn2C)C1 ZINC000408475765 484287774 /nfs/dbraw/zinc/28/77/74/484287774.db2.gz HCTLROHJTAJWBT-SNVBAGLBSA-N -1 0 364.449 -0.713 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000408476159 484288840 /nfs/dbraw/zinc/28/88/40/484288840.db2.gz JVKGMKKHJBPSMG-UHFFFAOYSA-N -1 0 369.403 -0.520 20 0 FBADRM O=C([N-]S(=O)(=O)C1COC1)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000408476174 484288680 /nfs/dbraw/zinc/28/86/80/484288680.db2.gz JYESYZAAKVYGLQ-CHWSQXEVSA-N -1 0 358.416 -0.728 20 0 FBADRM O=C([N-]S(=O)(=O)C1COC1)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000408476175 484289077 /nfs/dbraw/zinc/28/90/77/484289077.db2.gz JYESYZAAKVYGLQ-OLZOCXBDSA-N -1 0 358.416 -0.728 20 0 FBADRM O=C([N-]S(=O)(=O)C1COC1)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000408476176 484289517 /nfs/dbraw/zinc/28/95/17/484289517.db2.gz JYESYZAAKVYGLQ-QWHCGFSZSA-N -1 0 358.416 -0.728 20 0 FBADRM O=C([N-]S(=O)(=O)C1COC1)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000408476177 484289207 /nfs/dbraw/zinc/28/92/07/484289207.db2.gz JYESYZAAKVYGLQ-STQMWFEESA-N -1 0 358.416 -0.728 20 0 FBADRM O=C([N-]S(=O)(=O)C1COC1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000408476479 484289086 /nfs/dbraw/zinc/28/90/86/484289086.db2.gz LTKWPBFPORAMQC-GFCCVEGCSA-N -1 0 353.400 -0.221 20 0 FBADRM O=C([N-]S(=O)(=O)C1COC1)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000408476481 484288577 /nfs/dbraw/zinc/28/85/77/484288577.db2.gz LTKWPBFPORAMQC-LBPRGKRZSA-N -1 0 353.400 -0.221 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)[C@H]3COCCO3)cc2n(C)c1=O ZINC000408476560 484290124 /nfs/dbraw/zinc/29/01/24/484290124.db2.gz BDICASOPGMFODR-GFCCVEGCSA-N -1 0 355.372 -0.903 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)[C@@H]3COCCO3)cc2n(C)c1=O ZINC000408476561 484290349 /nfs/dbraw/zinc/29/03/49/484290349.db2.gz BDICASOPGMFODR-LBPRGKRZSA-N -1 0 355.372 -0.903 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cnccn1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408477123 484290390 /nfs/dbraw/zinc/29/03/90/484290390.db2.gz DSNGSOXGAGIWGY-GARJFASQSA-N -1 0 366.399 -0.155 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)c1cnccn1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408477124 484290134 /nfs/dbraw/zinc/29/01/34/484290134.db2.gz DSNGSOXGAGIWGY-GMTAPVOTSA-N -1 0 366.399 -0.155 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)c1cnccn1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408477125 484290575 /nfs/dbraw/zinc/29/05/75/484290575.db2.gz DSNGSOXGAGIWGY-MXWKQRLJSA-N -1 0 366.399 -0.155 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)c1cnccn1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408477126 484290545 /nfs/dbraw/zinc/29/05/45/484290545.db2.gz DSNGSOXGAGIWGY-VWYCJHECSA-N -1 0 366.399 -0.155 20 0 FBADRM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)[N-]S(=O)(=O)C1COC1 ZINC000408477260 484290805 /nfs/dbraw/zinc/29/08/05/484290805.db2.gz NVVHEQGUSFRQDK-UHFFFAOYSA-N -1 0 352.390 -0.703 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cnccn2)C1 ZINC000408477439 484290673 /nfs/dbraw/zinc/29/06/73/484290673.db2.gz FXAGIOTZIPSJID-JTQLQIEISA-N -1 0 362.433 -0.657 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cnccn2)C1 ZINC000408477454 484290732 /nfs/dbraw/zinc/29/07/32/484290732.db2.gz FXAGIOTZIPSJID-SNVBAGLBSA-N -1 0 362.433 -0.657 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)[C@H]1COCCN1CC(F)F ZINC000408477651 484289069 /nfs/dbraw/zinc/28/90/69/484289069.db2.gz GNKZQYWNQCVOAR-GHMZBOCLSA-N -1 0 356.391 -0.033 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)[C@@H]1COCCN1CC(F)F ZINC000408477655 484289339 /nfs/dbraw/zinc/28/93/39/484289339.db2.gz GNKZQYWNQCVOAR-MNOVXSKESA-N -1 0 356.391 -0.033 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)[C@@H]1COCCN1CC(F)F ZINC000408477657 484288774 /nfs/dbraw/zinc/28/87/74/484288774.db2.gz GNKZQYWNQCVOAR-QWRGUYRKSA-N -1 0 356.391 -0.033 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)[C@H]1COCCN1CC(F)F ZINC000408477658 484288324 /nfs/dbraw/zinc/28/83/24/484288324.db2.gz GNKZQYWNQCVOAR-WDEREUQCSA-N -1 0 356.391 -0.033 20 0 FBADRM Cn1cc([C@H]2[C@H](C(=O)[N-]S(=O)(=O)C3CCC3)OCC(=O)N2C)cn1 ZINC000408477702 484288630 /nfs/dbraw/zinc/28/86/30/484288630.db2.gz BDCPWCHSZAPQBF-QWHCGFSZSA-N -1 0 356.404 -0.683 20 0 FBADRM Cc1oc(C(=O)[N-]S(=O)(=O)C2COC2)cc1S(=O)(=O)N(C)C ZINC000408477915 484289508 /nfs/dbraw/zinc/28/95/08/484289508.db2.gz POWOUPJWEPSHJO-UHFFFAOYSA-N -1 0 352.390 -0.703 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)[N-]S(=O)(=O)C2CCCCC2)CC1 ZINC000408477974 484288405 /nfs/dbraw/zinc/28/84/05/484288405.db2.gz BSMLMCLJVFBSIE-UHFFFAOYSA-N -1 0 367.493 -0.658 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000408478077 484288836 /nfs/dbraw/zinc/28/88/36/484288836.db2.gz PRBJDWBJBWRCGD-BQBZGAKWSA-N -1 0 354.310 -0.318 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000408478078 484288732 /nfs/dbraw/zinc/28/87/32/484288732.db2.gz PRBJDWBJBWRCGD-NKWVEPMBSA-N -1 0 354.310 -0.318 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000408478079 484289093 /nfs/dbraw/zinc/28/90/93/484289093.db2.gz PRBJDWBJBWRCGD-RNFRBKRXSA-N -1 0 354.310 -0.318 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000408478080 484289073 /nfs/dbraw/zinc/28/90/73/484289073.db2.gz PRBJDWBJBWRCGD-RQJHMYQMSA-N -1 0 354.310 -0.318 20 0 FBADRM Cc1c(Br)cc(C(=O)[N-]S(=O)(=O)C2COC2)c(=O)n1C ZINC000408478142 484288778 /nfs/dbraw/zinc/28/87/78/484288778.db2.gz QAOMTGARTDDNJG-UHFFFAOYSA-N -1 0 365.205 -0.085 20 0 FBADRM CN1C(=O)N(CC(=O)[N-]S(=O)(=O)C2COC2)C(=O)C12CCCCC2 ZINC000408478149 484288716 /nfs/dbraw/zinc/28/87/16/484288716.db2.gz QBQGXTONNGEPAI-UHFFFAOYSA-N -1 0 359.404 -0.572 20 0 FBADRM CCCCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)C2COC2)CC1 ZINC000408478372 484288767 /nfs/dbraw/zinc/28/87/67/484288767.db2.gz QKICORREXWCYKF-UHFFFAOYSA-N -1 0 368.477 -0.327 20 0 FBADRM CS(=O)(=O)N1CCCc2cc(C(=O)[N-]S(=O)(=O)C3COC3)ccc21 ZINC000408478396 484290364 /nfs/dbraw/zinc/29/03/64/484290364.db2.gz QPHGNVYVCGOZGF-UHFFFAOYSA-N -1 0 374.440 -0.143 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)[N-]S(=O)(=O)[C@@H]3CCCOC3)cnc21 ZINC000408478466 484290342 /nfs/dbraw/zinc/29/03/42/484290342.db2.gz JDLXENSRFJGMML-SECBINFHSA-N -1 0 368.371 -0.727 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)[N-]S(=O)(=O)[C@H]3CCCOC3)cnc21 ZINC000408478467 484290367 /nfs/dbraw/zinc/29/03/67/484290367.db2.gz JDLXENSRFJGMML-VIFPVBQESA-N -1 0 368.371 -0.727 20 0 FBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000408478828 484292493 /nfs/dbraw/zinc/29/24/93/484292493.db2.gz KPNGWPXNXIFJAR-UHFFFAOYSA-N -1 0 351.384 -0.146 20 0 FBADRM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)[N-]S(=O)(=O)C1COC1)C2=O ZINC000408479216 484290460 /nfs/dbraw/zinc/29/04/60/484290460.db2.gz TWZXVBNUDMTNGX-LKFCYVNXSA-N -1 0 359.404 -0.668 20 0 FBADRM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)[N-]S(=O)(=O)C1COC1)C2=O ZINC000408479217 484291006 /nfs/dbraw/zinc/29/10/06/484291006.db2.gz TWZXVBNUDMTNGX-OTYXRUKQSA-N -1 0 359.404 -0.668 20 0 FBADRM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)[N-]S(=O)(=O)C1COC1)C2=O ZINC000408479218 484290275 /nfs/dbraw/zinc/29/02/75/484290275.db2.gz TWZXVBNUDMTNGX-XPTSAGLGSA-N -1 0 359.404 -0.668 20 0 FBADRM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)[N-]S(=O)(=O)C1COC1)C2=O ZINC000408479219 484289867 /nfs/dbraw/zinc/28/98/67/484289867.db2.gz TWZXVBNUDMTNGX-YMTOWFKASA-N -1 0 359.404 -0.668 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000408479236 484290100 /nfs/dbraw/zinc/29/01/00/484290100.db2.gz UALPHIQRRCUQBZ-UHFFFAOYSA-N -1 0 355.376 -0.910 20 0 FBADRM CO[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2C)N(C(C)=O)C1 ZINC000408479389 484291017 /nfs/dbraw/zinc/29/10/17/484291017.db2.gz AJYIWAICFQIEIJ-NWDGAFQWSA-N -1 0 358.420 -0.522 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)C3CCC3)nc2n(C)c1=O ZINC000408479450 484290226 /nfs/dbraw/zinc/29/02/26/484290226.db2.gz AUFORVAHEIXECF-UHFFFAOYSA-N -1 0 352.372 -0.756 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)[C@@H]1CNC(=O)C1 ZINC000408479458 484290943 /nfs/dbraw/zinc/29/09/43/484290943.db2.gz LZCWLZDVHVCANU-JTQLQIEISA-N -1 0 351.384 -0.098 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)[C@H]1CNC(=O)C1 ZINC000408479459 484290355 /nfs/dbraw/zinc/29/03/55/484290355.db2.gz LZCWLZDVHVCANU-SNVBAGLBSA-N -1 0 351.384 -0.098 20 0 FBADRM CS(=O)(=O)N1CCc2cc(C(=O)[N-]S(=O)(=O)C3COC3)ccc21 ZINC000408479626 484290776 /nfs/dbraw/zinc/29/07/76/484290776.db2.gz UTFUXZUVZUXGLX-UHFFFAOYSA-N -1 0 360.413 -0.533 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408480346 484292505 /nfs/dbraw/zinc/29/25/05/484292505.db2.gz WDYPDTKOUFABNN-AOOOYVTPSA-N -1 0 354.388 -0.600 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408480347 484292541 /nfs/dbraw/zinc/29/25/41/484292541.db2.gz WDYPDTKOUFABNN-NXEZZACHSA-N -1 0 354.388 -0.600 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408480348 484291801 /nfs/dbraw/zinc/29/18/01/484291801.db2.gz WDYPDTKOUFABNN-UWVGGRQHSA-N -1 0 354.388 -0.600 20 0 FBADRM CCC1CCC2(CC1)NC(=O)N(CC(=O)[N-]S(=O)(=O)C1COC1)C2=O ZINC000408480719 484292614 /nfs/dbraw/zinc/29/26/14/484292614.db2.gz XBCNCRHFZBRBOA-UHFFFAOYSA-N -1 0 373.431 -0.278 20 0 FBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)C1 ZINC000408481021 484294556 /nfs/dbraw/zinc/29/45/56/484294556.db2.gz QLSHKUQXUVWLIC-UHFFFAOYSA-N -1 0 366.399 -0.840 20 0 FBADRM C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)[N-]S(=O)(=O)C1COC1)C2=O ZINC000408481155 484292824 /nfs/dbraw/zinc/29/28/24/484292824.db2.gz XSKREHSVZYCADB-KEODLESXSA-N -1 0 373.431 -0.422 20 0 FBADRM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)[N-]S(=O)(=O)C1COC1)C2=O ZINC000408481158 484292624 /nfs/dbraw/zinc/29/26/24/484292624.db2.gz XSKREHSVZYCADB-NXEZZACHSA-N -1 0 373.431 -0.422 20 0 FBADRM C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)[N-]S(=O)(=O)C1COC1)C2=O ZINC000408481160 484292014 /nfs/dbraw/zinc/29/20/14/484292014.db2.gz XSKREHSVZYCADB-UWVGGRQHSA-N -1 0 373.431 -0.422 20 0 FBADRM Cn1ncc(I)c1C(=O)[N-]S(=O)(=O)C1COC1 ZINC000408483052 484295964 /nfs/dbraw/zinc/29/59/64/484295964.db2.gz LTASWKCONFMYIN-UHFFFAOYSA-N -1 0 371.156 -0.517 20 0 FBADRM CO[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC2CCC2)N(S(C)(=O)=O)C1 ZINC000408483189 484294651 /nfs/dbraw/zinc/29/46/51/484294651.db2.gz BESKNMIWJHCZGH-WDEREUQCSA-N -1 0 354.450 -0.719 20 0 FBADRM Cn1c(=O)c2cc(C(=O)[N-]S(=O)(=O)C3CCC3)cnc2n(C)c1=O ZINC000408484136 484295819 /nfs/dbraw/zinc/29/58/19/484295819.db2.gz LPBMRPAKAROSHQ-UHFFFAOYSA-N -1 0 352.372 -0.756 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)[C@H]3COCCO3)cc2C1=O ZINC000408486050 484295551 /nfs/dbraw/zinc/29/55/51/484295551.db2.gz IRADBDBZLUZVCI-LLVKDONJSA-N -1 0 354.340 -0.867 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)[C@@H]3COCCO3)cc2C1=O ZINC000408486054 484296054 /nfs/dbraw/zinc/29/60/54/484296054.db2.gz IRADBDBZLUZVCI-NSHDSACASA-N -1 0 354.340 -0.867 20 0 FBADRM Cc1cc(C(=O)[N-]S(=O)(=O)C2CCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000408486681 484295856 /nfs/dbraw/zinc/29/58/56/484295856.db2.gz TYJSRWXYWSCIDP-UHFFFAOYSA-N -1 0 366.399 -0.447 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cnn1C ZINC000408486730 484296103 /nfs/dbraw/zinc/29/61/03/484296103.db2.gz UDZOOJVXUOSCJY-GHMZBOCLSA-N -1 0 368.415 -0.291 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cnn1C ZINC000408486731 484295844 /nfs/dbraw/zinc/29/58/44/484295844.db2.gz UDZOOJVXUOSCJY-PHIMTYICSA-N -1 0 368.415 -0.291 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cnn1C ZINC000408486732 484295724 /nfs/dbraw/zinc/29/57/24/484295724.db2.gz UDZOOJVXUOSCJY-QWRGUYRKSA-N -1 0 368.415 -0.291 20 0 FBADRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O ZINC000408487741 484296188 /nfs/dbraw/zinc/29/61/88/484296188.db2.gz MOYXMYXWSGSGIG-GXSJLCMTSA-N -1 0 356.466 -0.330 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)CN2C(=O)NC3(CCCC3)C2=O)cnn1C ZINC000408488496 484295322 /nfs/dbraw/zinc/29/53/22/484295322.db2.gz YIIFVOFUIYUPCX-UHFFFAOYSA-N -1 0 369.403 -0.602 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)cnn1C ZINC000408489333 484295467 /nfs/dbraw/zinc/29/54/67/484295467.db2.gz ROPNDMWZMNYDDF-APPZFPTMSA-N -1 0 368.337 -0.009 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)cnn1C ZINC000408489334 484298011 /nfs/dbraw/zinc/29/80/11/484298011.db2.gz ROPNDMWZMNYDDF-CBAPKCEASA-N -1 0 368.337 -0.009 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)cnn1C ZINC000408489335 484297868 /nfs/dbraw/zinc/29/78/68/484297868.db2.gz ROPNDMWZMNYDDF-IONNQARKSA-N -1 0 368.337 -0.009 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)cnn1C ZINC000408489336 484297928 /nfs/dbraw/zinc/29/79/28/484297928.db2.gz ROPNDMWZMNYDDF-VXNVDRBHSA-N -1 0 368.337 -0.009 20 0 FBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000408489579 484296939 /nfs/dbraw/zinc/29/69/39/484296939.db2.gz ULHXCKQDCVXZJS-HZSPNIEDSA-N -1 0 372.443 -0.338 20 0 FBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000408489580 484297882 /nfs/dbraw/zinc/29/78/82/484297882.db2.gz ULHXCKQDCVXZJS-MCIONIFRSA-N -1 0 372.443 -0.338 20 0 FBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000408489581 484297995 /nfs/dbraw/zinc/29/79/95/484297995.db2.gz ULHXCKQDCVXZJS-MGPQQGTHSA-N -1 0 372.443 -0.338 20 0 FBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000408489582 484297744 /nfs/dbraw/zinc/29/77/44/484297744.db2.gz ULHXCKQDCVXZJS-RDBSUJKOSA-N -1 0 372.443 -0.338 20 0 FBADRM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000408489888 484297604 /nfs/dbraw/zinc/29/76/04/484297604.db2.gz WWGWMYMJPCYHLE-SECBINFHSA-N -1 0 366.417 -0.313 20 0 FBADRM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000408489889 484297621 /nfs/dbraw/zinc/29/76/21/484297621.db2.gz WWGWMYMJPCYHLE-VIFPVBQESA-N -1 0 366.417 -0.313 20 0 FBADRM CO[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)C2CCCCC2)N(S(C)(=O)=O)C1 ZINC000408489938 484297828 /nfs/dbraw/zinc/29/78/28/484297828.db2.gz XCZZWDHNLYXOCE-CMPLNLGQSA-N -1 0 368.477 -0.186 20 0 FBADRM Cc1oc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cc1S(=O)(=O)N(C)C ZINC000408490025 484297107 /nfs/dbraw/zinc/29/71/07/484297107.db2.gz YAHNWRUGAJXCDY-SECBINFHSA-N -1 0 366.417 -0.313 20 0 FBADRM Cc1oc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cc1S(=O)(=O)N(C)C ZINC000408490026 484297121 /nfs/dbraw/zinc/29/71/21/484297121.db2.gz YAHNWRUGAJXCDY-VIFPVBQESA-N -1 0 366.417 -0.313 20 0 FBADRM CO[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC(F)(F)F)N(S(C)(=O)=O)C1 ZINC000408490236 484297801 /nfs/dbraw/zinc/29/78/01/484297801.db2.gz ZSZGKMWLLUKADM-NKWVEPMBSA-N -1 0 368.355 -0.956 20 0 FBADRM Cn1c2sc(C(=O)[N-]S(=O)(=O)C3CCC3)cc2c(=O)n(C)c1=O ZINC000408492249 484297980 /nfs/dbraw/zinc/29/79/80/484297980.db2.gz JNSXMPOCUSMGHQ-UHFFFAOYSA-N -1 0 357.413 -0.089 20 0 FBADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)[C@@H]2CC3CCC2CC3)c1=O ZINC000408492574 484298023 /nfs/dbraw/zinc/29/80/23/484298023.db2.gz KIFOQZZPVMBSQP-HTAVTVPLSA-N -1 0 355.416 -0.428 20 0 FBADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)[C@H]2CC3CCC2CC3)c1=O ZINC000408492575 484297350 /nfs/dbraw/zinc/29/73/50/484297350.db2.gz KIFOQZZPVMBSQP-MCIGGMRASA-N -1 0 355.416 -0.428 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)nn1 ZINC000408492585 484297976 /nfs/dbraw/zinc/29/79/76/484297976.db2.gz DURMEKWHRFWXEL-JFGNBEQYSA-N -1 0 355.420 -0.386 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)nn1 ZINC000408492586 484297936 /nfs/dbraw/zinc/29/79/36/484297936.db2.gz DURMEKWHRFWXEL-SCVCMEIPSA-N -1 0 355.420 -0.386 20 0 FBADRM Cn1c2sc(C(=O)[N-]S(=O)(=O)C3(C)CC3)cc2c(=O)n(C)c1=O ZINC000408495595 483999940 /nfs/dbraw/zinc/99/99/40/483999940.db2.gz OMIXPHUZCATDSP-UHFFFAOYSA-N -1 0 357.413 -0.089 20 0 FBADRM CN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc2c1OCCO2 ZINC000408502488 484297982 /nfs/dbraw/zinc/29/79/82/484297982.db2.gz ZSEGBJQWDJAAMY-GFCCVEGCSA-N -1 0 356.400 -0.266 20 0 FBADRM CN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc2c1OCCO2 ZINC000408502489 484297808 /nfs/dbraw/zinc/29/78/08/484297808.db2.gz ZSEGBJQWDJAAMY-LBPRGKRZSA-N -1 0 356.400 -0.266 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CC1 ZINC000409545342 483776580 /nfs/dbraw/zinc/77/65/80/483776580.db2.gz PQRAXIUMNMHVML-UHFFFAOYSA-N -1 0 352.372 -0.253 20 0 FBADRM CCN(CCOCCO)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000409906322 483782839 /nfs/dbraw/zinc/78/28/39/483782839.db2.gz XXSIPHIDFUBUOF-UHFFFAOYSA-N -1 0 358.376 -0.545 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c1 ZINC000410183044 483792182 /nfs/dbraw/zinc/79/21/82/483792182.db2.gz BOBGADCCEAWRQZ-DGCLKSJQSA-N -1 0 367.427 -0.007 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cc1OC ZINC000410361444 483797281 /nfs/dbraw/zinc/79/72/81/483797281.db2.gz AIIOLMUPGYUALH-UHFFFAOYSA-N -1 0 368.371 -0.036 20 0 FBADRM NC(=O)Cn1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)cn1 ZINC000410363982 483797248 /nfs/dbraw/zinc/79/72/48/483797248.db2.gz HKZPCABJEHSGDB-UHFFFAOYSA-N -1 0 357.779 -0.079 20 0 FBADRM NC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)n1 ZINC000410369782 483798015 /nfs/dbraw/zinc/79/80/15/483798015.db2.gz BPJDINNUOCKRLC-UHFFFAOYSA-N -1 0 357.779 -0.079 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cc1OC ZINC000410376556 483798045 /nfs/dbraw/zinc/79/80/45/483798045.db2.gz UZIOJMDISGBELY-UHFFFAOYSA-N -1 0 368.371 -0.036 20 0 FBADRM CNc1nc(C)cc(C(=O)N=c2ncn(CC(=O)N3CCCCCC3)[n-]2)n1 ZINC000410431491 483803615 /nfs/dbraw/zinc/80/36/15/483803615.db2.gz HNYNXTHEZAHBIO-UHFFFAOYSA-N -1 0 372.433 -0.083 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)s[n-]1 ZINC000411280277 484184455 /nfs/dbraw/zinc/18/44/55/484184455.db2.gz DNZCDGDMCYDTFI-UHFFFAOYSA-N -1 0 355.464 -0.234 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)s[n-]1 ZINC000411282253 484184123 /nfs/dbraw/zinc/18/41/23/484184123.db2.gz ISCZFYMVLIUWQJ-GHMZBOCLSA-N -1 0 355.464 -0.236 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)s[n-]1 ZINC000411282256 484183927 /nfs/dbraw/zinc/18/39/27/484183927.db2.gz ISCZFYMVLIUWQJ-MNOVXSKESA-N -1 0 355.464 -0.236 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)s[n-]1 ZINC000411282258 484186129 /nfs/dbraw/zinc/18/61/29/484186129.db2.gz ISCZFYMVLIUWQJ-QWRGUYRKSA-N -1 0 355.464 -0.236 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)s[n-]1 ZINC000411282260 484185681 /nfs/dbraw/zinc/18/56/81/484185681.db2.gz ISCZFYMVLIUWQJ-WDEREUQCSA-N -1 0 355.464 -0.236 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N2CCN([C@H](CC)CO)CC2)s[n-]1 ZINC000411290326 484186108 /nfs/dbraw/zinc/18/61/08/484186108.db2.gz HDAIWAHYUCISIC-LLVKDONJSA-N -1 0 355.464 -0.234 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N2CCN([C@@H](CC)CO)CC2)s[n-]1 ZINC000411290327 484186589 /nfs/dbraw/zinc/18/65/89/484186589.db2.gz HDAIWAHYUCISIC-NSHDSACASA-N -1 0 355.464 -0.234 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)s[n-]1 ZINC000411298441 484187833 /nfs/dbraw/zinc/18/78/33/484187833.db2.gz STTIJDJQSLNQOJ-AEJSXWLSSA-N -1 0 351.432 -0.024 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)s[n-]1 ZINC000411298443 484188308 /nfs/dbraw/zinc/18/83/08/484188308.db2.gz STTIJDJQSLNQOJ-BBBLOLIVSA-N -1 0 351.432 -0.024 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)s[n-]1 ZINC000411298445 484188172 /nfs/dbraw/zinc/18/81/72/484188172.db2.gz STTIJDJQSLNQOJ-IVZWLZJFSA-N -1 0 351.432 -0.024 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)s[n-]1 ZINC000411298446 484187659 /nfs/dbraw/zinc/18/76/59/484187659.db2.gz STTIJDJQSLNQOJ-OPRDCNLKSA-N -1 0 351.432 -0.024 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)s[n-]1 ZINC000411335141 484189684 /nfs/dbraw/zinc/18/96/84/484189684.db2.gz QOPKDQLYIYKXQH-MRVPVSSYSA-N -1 0 353.404 -0.497 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)s[n-]1 ZINC000411335144 484189641 /nfs/dbraw/zinc/18/96/41/484189641.db2.gz QOPKDQLYIYKXQH-QMMMGPOBSA-N -1 0 353.404 -0.497 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N2CCN(CCOC)C(=O)C2)s[n-]1 ZINC000411341409 484191044 /nfs/dbraw/zinc/19/10/44/484191044.db2.gz TZNBVUPOLGWAHW-UHFFFAOYSA-N -1 0 355.420 -0.832 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N2CCN(C[C@H](O)CC)CC2)s[n-]1 ZINC000411403995 484194336 /nfs/dbraw/zinc/19/43/36/484194336.db2.gz VZOOGCPICKBRTM-LLVKDONJSA-N -1 0 355.464 -0.234 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N2CCN(C[C@@H](O)CC)CC2)s[n-]1 ZINC000411403997 484194728 /nfs/dbraw/zinc/19/47/28/484194728.db2.gz VZOOGCPICKBRTM-NSHDSACASA-N -1 0 355.464 -0.234 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)s[n-]1 ZINC000411438589 484198289 /nfs/dbraw/zinc/19/82/89/484198289.db2.gz CQAKUIAASPJEOU-UHFFFAOYSA-N -1 0 351.432 -0.022 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N2C[C@@H](C)O[C@@H](C(=O)OC)C2)s[n-]1 ZINC000411502125 484203856 /nfs/dbraw/zinc/20/38/56/484203856.db2.gz BQMXYFVNRXZARJ-RKDXNWHRSA-N -1 0 356.404 -0.360 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)s[n-]1 ZINC000411586515 484209643 /nfs/dbraw/zinc/20/96/43/484209643.db2.gz NQILGESHJCSSMR-PHIMTYICSA-N -1 0 355.464 -0.236 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N2CCN(C)C[C@H](C(=O)OC)C2)s[n-]1 ZINC000411755556 484217211 /nfs/dbraw/zinc/21/72/11/484217211.db2.gz HDSLRMKARJFYPT-JTQLQIEISA-N -1 0 369.447 -0.586 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N2CCN(C)C[C@@H](C(=O)OC)C2)s[n-]1 ZINC000411755564 484218187 /nfs/dbraw/zinc/21/81/87/484218187.db2.gz HDSLRMKARJFYPT-SNVBAGLBSA-N -1 0 369.447 -0.586 20 0 FBADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCN(CC(N)=O)C(=O)C2)n1 ZINC000412423892 484233242 /nfs/dbraw/zinc/23/32/42/484233242.db2.gz ULTPJWILONAKNQ-UHFFFAOYSA-N -1 0 371.397 -0.090 20 0 FBADRM CCC[C@H](O)[C@@H](CO)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000412508348 484235164 /nfs/dbraw/zinc/23/51/64/484235164.db2.gz FDNIUIKEKVGRLK-NEPJUHHUSA-N -1 0 366.386 -0.119 20 0 FBADRM CCC[C@@H](O)[C@H](CO)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000412508360 484234881 /nfs/dbraw/zinc/23/48/81/484234881.db2.gz FDNIUIKEKVGRLK-NWDGAFQWSA-N -1 0 366.386 -0.119 20 0 FBADRM CCC[C@H](O)[C@H](CO)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000412508361 484234968 /nfs/dbraw/zinc/23/49/68/484234968.db2.gz FDNIUIKEKVGRLK-RYUDHWBXSA-N -1 0 366.386 -0.119 20 0 FBADRM CCC[C@@H](O)[C@@H](CO)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000412508362 484234964 /nfs/dbraw/zinc/23/49/64/484234964.db2.gz FDNIUIKEKVGRLK-VXGBXAGGSA-N -1 0 366.386 -0.119 20 0 FBADRM CCC[C@@H](O)[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000412537741 484235106 /nfs/dbraw/zinc/23/51/06/484235106.db2.gz RYCMLRPMOGGNMT-GXTWGEPZSA-N -1 0 360.432 -0.106 20 0 FBADRM CCC[C@H](O)[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000412537742 484234889 /nfs/dbraw/zinc/23/48/89/484234889.db2.gz RYCMLRPMOGGNMT-JSGCOSHPSA-N -1 0 360.432 -0.106 20 0 FBADRM CCC[C@H](O)[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000412537744 484234753 /nfs/dbraw/zinc/23/47/53/484234753.db2.gz RYCMLRPMOGGNMT-OCCSQVGLSA-N -1 0 360.432 -0.106 20 0 FBADRM CCC[C@@H](O)[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000412537746 484235091 /nfs/dbraw/zinc/23/50/91/484235091.db2.gz RYCMLRPMOGGNMT-TZMCWYRMSA-N -1 0 360.432 -0.106 20 0 FBADRM C[C@@H](O)[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CCO1 ZINC000412904821 484270621 /nfs/dbraw/zinc/27/06/21/484270621.db2.gz AWVTWVIRRJAMKM-BXKDBHETSA-N -1 0 364.370 -0.149 20 0 FBADRM C[C@H](O)[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CCO1 ZINC000412904822 484271140 /nfs/dbraw/zinc/27/11/40/484271140.db2.gz AWVTWVIRRJAMKM-CABZTGNLSA-N -1 0 364.370 -0.149 20 0 FBADRM C[C@H](O)[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CCO1 ZINC000412904823 484271359 /nfs/dbraw/zinc/27/13/59/484271359.db2.gz AWVTWVIRRJAMKM-JOYOIKCWSA-N -1 0 364.370 -0.149 20 0 FBADRM C[C@@H](O)[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CCO1 ZINC000412904824 484271535 /nfs/dbraw/zinc/27/15/35/484271535.db2.gz AWVTWVIRRJAMKM-SKDRFNHKSA-N -1 0 364.370 -0.149 20 0 FBADRM CN(C)C(=O)C1(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CC1 ZINC000413920472 484307003 /nfs/dbraw/zinc/30/70/03/484307003.db2.gz RHZYJLNCNNORAP-UHFFFAOYSA-N -1 0 355.416 -0.007 20 0 FBADRM COC[C@@H]1C[C@H](O)CN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000413922394 484307333 /nfs/dbraw/zinc/30/73/33/484307333.db2.gz ZAWJGAJGKAAKSS-UWVGGRQHSA-N -1 0 364.370 -0.149 20 0 FBADRM CN(C)C(=O)C1(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000413932310 484303897 /nfs/dbraw/zinc/30/38/97/484303897.db2.gz UOXWWBXGPLQPLW-UHFFFAOYSA-N -1 0 361.370 -0.020 20 0 FBADRM COC(=O)c1cnc(S(=O)(=O)[C@H](C)C(=O)NC(=O)NC(C)(C)C)[n-]1 ZINC000414223738 484310407 /nfs/dbraw/zinc/31/04/07/484310407.db2.gz QOLMTVOCOFOTQC-SSDOTTSWSA-N -1 0 360.392 -0.017 20 0 FBADRM COC(=O)c1cnc(S(=O)(=O)[C@@H](C)C(=O)NC(=O)NC(C)(C)C)[n-]1 ZINC000414223741 484310333 /nfs/dbraw/zinc/31/03/33/484310333.db2.gz QOLMTVOCOFOTQC-ZETCQYMHSA-N -1 0 360.392 -0.017 20 0 FBADRM COC(=O)c1cnc(S(=O)(=O)[C@H](C)C(=O)NC(=O)NCC(C)C)[n-]1 ZINC000414226015 484310766 /nfs/dbraw/zinc/31/07/66/484310766.db2.gz UXZRUGUGPADINZ-MRVPVSSYSA-N -1 0 360.392 -0.160 20 0 FBADRM COC(=O)c1cnc(S(=O)(=O)[C@@H](C)C(=O)NC(=O)NCC(C)C)[n-]1 ZINC000414226016 484310882 /nfs/dbraw/zinc/31/08/82/484310882.db2.gz UXZRUGUGPADINZ-QMMMGPOBSA-N -1 0 360.392 -0.160 20 0 FBADRM CCOC(=O)[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC12COC2 ZINC000414322136 484311779 /nfs/dbraw/zinc/31/17/79/484311779.db2.gz GAWNADFSWCEMRA-LLVKDONJSA-N -1 0 372.399 -0.077 20 0 FBADRM CCOC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC12COC2 ZINC000414322138 484312394 /nfs/dbraw/zinc/31/23/94/484312394.db2.gz GAWNADFSWCEMRA-NSHDSACASA-N -1 0 372.399 -0.077 20 0 FBADRM Cc1cc(S(=O)(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc(C(=O)[O-])c1C ZINC000414324798 484312322 /nfs/dbraw/zinc/31/23/22/484312322.db2.gz BXYRQJUJXIXEAO-TXEJJXNPSA-N -1 0 352.368 -0.105 20 0 FBADRM NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000414329821 484312032 /nfs/dbraw/zinc/31/20/32/484312032.db2.gz IQRCFSDGNOFJAT-SNVBAGLBSA-N -1 0 356.356 -0.206 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCCNC2=O)cc2c1OCCO2 ZINC000414330641 484311978 /nfs/dbraw/zinc/31/19/78/484311978.db2.gz PYHUHRSZKXMLCY-JTQLQIEISA-N -1 0 356.356 -0.287 20 0 FBADRM O=C([O-])c1cc2c(c(S(=O)(=O)N3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)c1)CCC2 ZINC000414330988 484311577 /nfs/dbraw/zinc/31/15/77/484311577.db2.gz JTKQBEGWZRGWBU-TXEJJXNPSA-N -1 0 364.379 -0.233 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)CC(=O)N1 ZINC000414333541 484312366 /nfs/dbraw/zinc/31/23/66/484312366.db2.gz MNRODNQWXWKAMO-MRVPVSSYSA-N -1 0 356.356 -0.335 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)CC(=O)N1 ZINC000414333543 484312078 /nfs/dbraw/zinc/31/20/78/484312078.db2.gz MNRODNQWXWKAMO-QMMMGPOBSA-N -1 0 356.356 -0.335 20 0 FBADRM COC[C@@H](C(N)=O)N(C)S(=O)(=O)c1ccc(C)c(OCC(=O)[O-])c1C ZINC000414338000 484311995 /nfs/dbraw/zinc/31/19/95/484311995.db2.gz IQXJXUIMWWUGAR-NSHDSACASA-N -1 0 374.415 -0.112 20 0 FBADRM COC[C@@H](C(N)=O)N(C)S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000414342743 484312281 /nfs/dbraw/zinc/31/22/81/484312281.db2.gz MTOUVLSTVAJQAA-LBPRGKRZSA-N -1 0 356.400 -0.006 20 0 FBADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000414351012 658379589 /nfs/dbraw/zinc/37/95/89/658379589.db2.gz RACANAVOGBXYJQ-JQWIXIFHSA-N -1 0 370.383 -0.323 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)N2CCO[C@H](CF)C2)cc1 ZINC000414352966 484312204 /nfs/dbraw/zinc/31/22/04/484312204.db2.gz QUWNLSYZRKTHKX-LLVKDONJSA-N -1 0 360.363 -0.140 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](CF)C2)cc1 ZINC000414352968 484312098 /nfs/dbraw/zinc/31/20/98/484312098.db2.gz QUWNLSYZRKTHKX-NSHDSACASA-N -1 0 360.363 -0.140 20 0 FBADRM CN(CCCC(=O)[O-])C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000414604102 483590120 /nfs/dbraw/zinc/59/01/20/483590120.db2.gz AQNBANVHALCYGO-UHFFFAOYSA-N -1 0 353.466 -0.129 20 0 FBADRM CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCCC(=O)[O-])CC1 ZINC000414609331 483599075 /nfs/dbraw/zinc/59/90/75/483599075.db2.gz LSTLDVUZRBUVGR-UHFFFAOYSA-N -1 0 370.431 -0.099 20 0 FBADRM CN(C)S(=O)(=O)N[C@H](CNC(=O)NCCC(=O)[O-])C1CCCC1 ZINC000414610216 483600480 /nfs/dbraw/zinc/60/04/80/483600480.db2.gz NDQSLSXPDYQQCN-LLVKDONJSA-N -1 0 350.441 -0.285 20 0 FBADRM CN(C)S(=O)(=O)N[C@@H](CNC(=O)NCCC(=O)[O-])C1CCCC1 ZINC000414610217 483600360 /nfs/dbraw/zinc/60/03/60/483600360.db2.gz NDQSLSXPDYQQCN-NSHDSACASA-N -1 0 350.441 -0.285 20 0 FBADRM O=C([O-])CCNC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000414611800 483603640 /nfs/dbraw/zinc/60/36/40/483603640.db2.gz PIZWGMYMGGKUGM-UHFFFAOYSA-N -1 0 362.452 -0.091 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H]2COC[C@H]2O)C1=O ZINC000414612121 483603303 /nfs/dbraw/zinc/60/33/03/483603303.db2.gz CWAHKCFPKGKGIM-AAVRWANBSA-N -1 0 363.370 -0.528 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2COC[C@H]2O)C1=O ZINC000414612124 483603488 /nfs/dbraw/zinc/60/34/88/483603488.db2.gz CWAHKCFPKGKGIM-DGAVXFQQSA-N -1 0 363.370 -0.528 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2COC[C@H]2O)C1=O ZINC000414612126 483602879 /nfs/dbraw/zinc/60/28/79/483602879.db2.gz CWAHKCFPKGKGIM-REWJHTLYSA-N -1 0 363.370 -0.528 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H]2COC[C@H]2O)C1=O ZINC000414612128 483603691 /nfs/dbraw/zinc/60/36/91/483603691.db2.gz CWAHKCFPKGKGIM-SYQHCUMBSA-N -1 0 363.370 -0.528 20 0 FBADRM CC[C@@H](NC(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O)C(N)=O ZINC000414618451 483610354 /nfs/dbraw/zinc/61/03/54/483610354.db2.gz JPDHNAONXVIPJA-AGIUHOORSA-N -1 0 362.386 -0.024 20 0 FBADRM CC[C@@H](NC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O)C(N)=O ZINC000414618453 483610791 /nfs/dbraw/zinc/61/07/91/483610791.db2.gz JPDHNAONXVIPJA-FRRDWIJNSA-N -1 0 362.386 -0.024 20 0 FBADRM CC[C@@H](NC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O)C(N)=O ZINC000414618455 483610262 /nfs/dbraw/zinc/61/02/62/483610262.db2.gz JPDHNAONXVIPJA-JHJVBQTASA-N -1 0 362.386 -0.024 20 0 FBADRM CC[C@@H](NC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O)C(N)=O ZINC000414618457 483610629 /nfs/dbraw/zinc/61/06/29/483610629.db2.gz JPDHNAONXVIPJA-UPJWGTAASA-N -1 0 362.386 -0.024 20 0 FBADRM CN(CCCC(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000414621065 483614911 /nfs/dbraw/zinc/61/49/11/483614911.db2.gz UXMMXRQDBSOUTJ-GFCCVEGCSA-N -1 0 365.452 -0.019 20 0 FBADRM CN(CCCC(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000414621068 483614127 /nfs/dbraw/zinc/61/41/27/483614127.db2.gz UXMMXRQDBSOUTJ-LBPRGKRZSA-N -1 0 365.452 -0.019 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](Nc2ccnc(N3CCOCC3)n2)C1=O ZINC000416438681 484226541 /nfs/dbraw/zinc/22/65/41/484226541.db2.gz AUBQIPIRMNXHKO-GXTWGEPZSA-N -1 0 363.418 0.435 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](Nc2ccnc(N3CCOCC3)n2)C1=O ZINC000416438682 484221309 /nfs/dbraw/zinc/22/13/09/484221309.db2.gz AUBQIPIRMNXHKO-JSGCOSHPSA-N -1 0 363.418 0.435 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](Nc2ccnc(N3CCOCC3)n2)C1=O ZINC000416438683 484221554 /nfs/dbraw/zinc/22/15/54/484221554.db2.gz AUBQIPIRMNXHKO-OCCSQVGLSA-N -1 0 363.418 0.435 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](Nc2ccnc(N3CCOCC3)n2)C1=O ZINC000416438684 484226329 /nfs/dbraw/zinc/22/63/29/484226329.db2.gz AUBQIPIRMNXHKO-TZMCWYRMSA-N -1 0 363.418 0.435 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](Nc2ccc(S(N)(=O)=O)cn2)C1=O ZINC000416442313 483888266 /nfs/dbraw/zinc/88/82/66/483888266.db2.gz FQVFJOHCMHBNPF-CMPLNLGQSA-N -1 0 356.404 -0.149 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](Nc2ccc(S(N)(=O)=O)cn2)C1=O ZINC000416442315 483888356 /nfs/dbraw/zinc/88/83/56/483888356.db2.gz FQVFJOHCMHBNPF-JQWIXIFHSA-N -1 0 356.404 -0.149 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](Nc2ccc(S(N)(=O)=O)cn2)C1=O ZINC000416442316 483888107 /nfs/dbraw/zinc/88/81/07/483888107.db2.gz FQVFJOHCMHBNPF-PWSUYJOCSA-N -1 0 356.404 -0.149 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](Nc2ccc(S(N)(=O)=O)cn2)C1=O ZINC000416442321 483888128 /nfs/dbraw/zinc/88/81/28/483888128.db2.gz FQVFJOHCMHBNPF-ZYHUDNBSSA-N -1 0 356.404 -0.149 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](Nc2ncc(S(N)(=O)=O)s2)C1=O ZINC000416444177 483888265 /nfs/dbraw/zinc/88/82/65/483888265.db2.gz HXWOMVMOUIXHDX-APPZFPTMSA-N -1 0 362.433 -0.088 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](Nc2ncc(S(N)(=O)=O)s2)C1=O ZINC000416444180 483888280 /nfs/dbraw/zinc/88/82/80/483888280.db2.gz HXWOMVMOUIXHDX-CBAPKCEASA-N -1 0 362.433 -0.088 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](Nc2ncc(S(N)(=O)=O)s2)C1=O ZINC000416444181 483888271 /nfs/dbraw/zinc/88/82/71/483888271.db2.gz HXWOMVMOUIXHDX-IONNQARKSA-N -1 0 362.433 -0.088 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](Nc2ncc(S(N)(=O)=O)s2)C1=O ZINC000416444182 483888082 /nfs/dbraw/zinc/88/80/82/483888082.db2.gz HXWOMVMOUIXHDX-VXNVDRBHSA-N -1 0 362.433 -0.088 20 0 FBADRM COC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000416622436 483890581 /nfs/dbraw/zinc/89/05/81/483890581.db2.gz VQRGHXNRIPMVAM-KNVOCYPGSA-N -1 0 354.344 -0.334 20 0 FBADRM CCCN(CC(=O)[O-])S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000417439477 484004630 /nfs/dbraw/zinc/00/46/30/484004630.db2.gz LVJWTXZPARZMQC-UHFFFAOYSA-N -1 0 356.466 -0.216 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000417441399 484004703 /nfs/dbraw/zinc/00/47/03/484004703.db2.gz PXODPWPYMAIMBF-SRVKXCTJSA-N -1 0 366.461 -0.321 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000417441402 484004937 /nfs/dbraw/zinc/00/49/37/484004937.db2.gz PXODPWPYMAIMBF-TUAOUCFPSA-N -1 0 366.461 -0.321 20 0 FBADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000417441404 484004327 /nfs/dbraw/zinc/00/43/27/484004327.db2.gz PXODPWPYMAIMBF-UTUOFQBUSA-N -1 0 366.461 -0.321 20 0 FBADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000417441405 484004102 /nfs/dbraw/zinc/00/41/02/484004102.db2.gz PXODPWPYMAIMBF-WOPDTQHZSA-N -1 0 366.461 -0.321 20 0 FBADRM CCn1nccc1S(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417443947 484009180 /nfs/dbraw/zinc/00/91/80/484009180.db2.gz BIIOKXKWWLPJKV-CMPLNLGQSA-N -1 0 358.420 -0.109 20 0 FBADRM CCn1nccc1S(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417443948 484008215 /nfs/dbraw/zinc/00/82/15/484008215.db2.gz BIIOKXKWWLPJKV-JQWIXIFHSA-N -1 0 358.420 -0.109 20 0 FBADRM CCn1nccc1S(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417443949 484009140 /nfs/dbraw/zinc/00/91/40/484009140.db2.gz BIIOKXKWWLPJKV-PWSUYJOCSA-N -1 0 358.420 -0.109 20 0 FBADRM CCn1nccc1S(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417443950 484009094 /nfs/dbraw/zinc/00/90/94/484009094.db2.gz BIIOKXKWWLPJKV-ZYHUDNBSSA-N -1 0 358.420 -0.109 20 0 FBADRM CCOC(=O)CCS(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417444220 484003979 /nfs/dbraw/zinc/00/39/79/484003979.db2.gz CDNOHIXNYVSBTC-CMPLNLGQSA-N -1 0 364.420 -0.431 20 0 FBADRM CCOC(=O)CCS(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417444221 484004215 /nfs/dbraw/zinc/00/42/15/484004215.db2.gz CDNOHIXNYVSBTC-JQWIXIFHSA-N -1 0 364.420 -0.431 20 0 FBADRM CCOC(=O)CCS(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417444222 484004515 /nfs/dbraw/zinc/00/45/15/484004515.db2.gz CDNOHIXNYVSBTC-PWSUYJOCSA-N -1 0 364.420 -0.431 20 0 FBADRM CCOC(=O)CCS(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417444223 484006845 /nfs/dbraw/zinc/00/68/45/484006845.db2.gz CDNOHIXNYVSBTC-ZYHUDNBSSA-N -1 0 364.420 -0.431 20 0 FBADRM Cc1c(S(=O)(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cnn1C ZINC000417445115 484007187 /nfs/dbraw/zinc/00/71/87/484007187.db2.gz FNTQCDZOMVEDIL-CMPLNLGQSA-N -1 0 358.420 -0.283 20 0 FBADRM Cc1c(S(=O)(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cnn1C ZINC000417445116 484006959 /nfs/dbraw/zinc/00/69/59/484006959.db2.gz FNTQCDZOMVEDIL-JQWIXIFHSA-N -1 0 358.420 -0.283 20 0 FBADRM Cc1c(S(=O)(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cnn1C ZINC000417445117 484007397 /nfs/dbraw/zinc/00/73/97/484007397.db2.gz FNTQCDZOMVEDIL-PWSUYJOCSA-N -1 0 358.420 -0.283 20 0 FBADRM Cc1c(S(=O)(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cnn1C ZINC000417445118 484006466 /nfs/dbraw/zinc/00/64/66/484006466.db2.gz FNTQCDZOMVEDIL-ZYHUDNBSSA-N -1 0 358.420 -0.283 20 0 FBADRM Cc1cnc(N)c(S(=O)(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000417445265 484006198 /nfs/dbraw/zinc/00/61/98/484006198.db2.gz GJXWRYDBSOACRF-CMPLNLGQSA-N -1 0 370.431 -0.039 20 0 FBADRM Cc1cnc(N)c(S(=O)(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000417445266 484006337 /nfs/dbraw/zinc/00/63/37/484006337.db2.gz GJXWRYDBSOACRF-JQWIXIFHSA-N -1 0 370.431 -0.039 20 0 FBADRM Cc1cnc(N)c(S(=O)(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000417445267 484006800 /nfs/dbraw/zinc/00/68/00/484006800.db2.gz GJXWRYDBSOACRF-PWSUYJOCSA-N -1 0 370.431 -0.039 20 0 FBADRM Cc1cnc(N)c(S(=O)(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000417445268 484007177 /nfs/dbraw/zinc/00/71/77/484007177.db2.gz GJXWRYDBSOACRF-ZYHUDNBSSA-N -1 0 370.431 -0.039 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417445789 484541662 /nfs/dbraw/zinc/54/16/62/484541662.db2.gz IGZJSSNCAGPZFH-BDAKNGLRSA-N -1 0 360.392 -0.446 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417445790 484541917 /nfs/dbraw/zinc/54/19/17/484541917.db2.gz IGZJSSNCAGPZFH-DTWKUNHWSA-N -1 0 360.392 -0.446 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417445791 484542075 /nfs/dbraw/zinc/54/20/75/484542075.db2.gz IGZJSSNCAGPZFH-IUCAKERBSA-N -1 0 360.392 -0.446 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417445792 484541427 /nfs/dbraw/zinc/54/14/27/484541427.db2.gz IGZJSSNCAGPZFH-RKDXNWHRSA-N -1 0 360.392 -0.446 20 0 FBADRM Cc1nc(S(=O)(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cn1C ZINC000417445902 484008078 /nfs/dbraw/zinc/00/80/78/484008078.db2.gz ITOSUPFKZQLGLG-CMPLNLGQSA-N -1 0 358.420 -0.283 20 0 FBADRM Cc1nc(S(=O)(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cn1C ZINC000417445903 484009150 /nfs/dbraw/zinc/00/91/50/484009150.db2.gz ITOSUPFKZQLGLG-JQWIXIFHSA-N -1 0 358.420 -0.283 20 0 FBADRM Cc1nc(S(=O)(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cn1C ZINC000417445904 484008855 /nfs/dbraw/zinc/00/88/55/484008855.db2.gz ITOSUPFKZQLGLG-PWSUYJOCSA-N -1 0 358.420 -0.283 20 0 FBADRM Cc1nc(S(=O)(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cn1C ZINC000417445905 484009200 /nfs/dbraw/zinc/00/92/00/484009200.db2.gz ITOSUPFKZQLGLG-ZYHUDNBSSA-N -1 0 358.420 -0.283 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)c2cnc3n2CCC3)C1=O ZINC000417446653 484008280 /nfs/dbraw/zinc/00/82/80/484008280.db2.gz MPHBPSVTHVEWEJ-GWCFXTLKSA-N -1 0 370.431 -0.182 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)c2cnc3n2CCC3)C1=O ZINC000417446654 484008271 /nfs/dbraw/zinc/00/82/71/484008271.db2.gz MPHBPSVTHVEWEJ-GXFFZTMASA-N -1 0 370.431 -0.182 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)c2cnc3n2CCC3)C1=O ZINC000417446655 484008263 /nfs/dbraw/zinc/00/82/63/484008263.db2.gz MPHBPSVTHVEWEJ-MFKMUULPSA-N -1 0 370.431 -0.182 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)c2cnc3n2CCC3)C1=O ZINC000417446656 484008031 /nfs/dbraw/zinc/00/80/31/484008031.db2.gz MPHBPSVTHVEWEJ-ZWNOBZJWSA-N -1 0 370.431 -0.182 20 0 FBADRM COC(=O)CCCS(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417446727 484008885 /nfs/dbraw/zinc/00/88/85/484008885.db2.gz NAHJBHXMBQABRP-CMPLNLGQSA-N -1 0 364.420 -0.431 20 0 FBADRM COC(=O)CCCS(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417446728 484008573 /nfs/dbraw/zinc/00/85/73/484008573.db2.gz NAHJBHXMBQABRP-JQWIXIFHSA-N -1 0 364.420 -0.431 20 0 FBADRM COC(=O)CCCS(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417446729 484007964 /nfs/dbraw/zinc/00/79/64/484007964.db2.gz NAHJBHXMBQABRP-PWSUYJOCSA-N -1 0 364.420 -0.431 20 0 FBADRM COC(=O)CCCS(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417446730 484009332 /nfs/dbraw/zinc/00/93/32/484009332.db2.gz NAHJBHXMBQABRP-ZYHUDNBSSA-N -1 0 364.420 -0.431 20 0 FBADRM CCn1cnc(S(=O)(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000417446880 484008912 /nfs/dbraw/zinc/00/89/12/484008912.db2.gz NLOOHMUKHITHSR-CMPLNLGQSA-N -1 0 358.420 -0.109 20 0 FBADRM CCn1cnc(S(=O)(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000417446881 484009118 /nfs/dbraw/zinc/00/91/18/484009118.db2.gz NLOOHMUKHITHSR-JQWIXIFHSA-N -1 0 358.420 -0.109 20 0 FBADRM CCn1cnc(S(=O)(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000417446882 484008624 /nfs/dbraw/zinc/00/86/24/484008624.db2.gz NLOOHMUKHITHSR-PWSUYJOCSA-N -1 0 358.420 -0.109 20 0 FBADRM CCn1cnc(S(=O)(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000417446883 484008999 /nfs/dbraw/zinc/00/89/99/484008999.db2.gz NLOOHMUKHITHSR-ZYHUDNBSSA-N -1 0 358.420 -0.109 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417447051 484008204 /nfs/dbraw/zinc/00/82/04/484008204.db2.gz OCHCRDAGHITZBD-GHMZBOCLSA-N -1 0 358.420 -0.283 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417447052 484008847 /nfs/dbraw/zinc/00/88/47/484008847.db2.gz OCHCRDAGHITZBD-MNOVXSKESA-N -1 0 358.420 -0.283 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417447053 484009266 /nfs/dbraw/zinc/00/92/66/484009266.db2.gz OCHCRDAGHITZBD-QWRGUYRKSA-N -1 0 358.420 -0.283 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417447054 484009219 /nfs/dbraw/zinc/00/92/19/484009219.db2.gz OCHCRDAGHITZBD-WDEREUQCSA-N -1 0 358.420 -0.283 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417447240 484008251 /nfs/dbraw/zinc/00/82/51/484008251.db2.gz OUBGUVOEXIOSKB-GMTAPVOTSA-N -1 0 364.420 -0.575 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417447241 484007995 /nfs/dbraw/zinc/00/79/95/484007995.db2.gz OUBGUVOEXIOSKB-MXWKQRLJSA-N -1 0 364.420 -0.575 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417447242 484008905 /nfs/dbraw/zinc/00/89/05/484008905.db2.gz OUBGUVOEXIOSKB-OUAUKWLOSA-N -1 0 364.420 -0.575 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417447243 484008554 /nfs/dbraw/zinc/00/85/54/484008554.db2.gz OUBGUVOEXIOSKB-VWYCJHECSA-N -1 0 364.420 -0.575 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)C1=O ZINC000417447250 484008011 /nfs/dbraw/zinc/00/80/11/484008011.db2.gz OUTPURJAYZXRNL-GARJFASQSA-N -1 0 363.436 -0.907 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)C1=O ZINC000417447251 484008806 /nfs/dbraw/zinc/00/88/06/484008806.db2.gz OUTPURJAYZXRNL-GMTAPVOTSA-N -1 0 363.436 -0.907 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)C1=O ZINC000417447252 484009337 /nfs/dbraw/zinc/00/93/37/484009337.db2.gz OUTPURJAYZXRNL-HBNTYKKESA-N -1 0 363.436 -0.907 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)C1=O ZINC000417447253 484009052 /nfs/dbraw/zinc/00/90/52/484009052.db2.gz OUTPURJAYZXRNL-OUAUKWLOSA-N -1 0 363.436 -0.907 20 0 FBADRM COCCOCCS(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417447719 484010448 /nfs/dbraw/zinc/01/04/48/484010448.db2.gz RDZUCFLTHJBDJJ-NEPJUHHUSA-N -1 0 366.436 -0.721 20 0 FBADRM COCCOCCS(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417447720 484010020 /nfs/dbraw/zinc/01/00/20/484010020.db2.gz RDZUCFLTHJBDJJ-NWDGAFQWSA-N -1 0 366.436 -0.721 20 0 FBADRM COCCOCCS(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417447721 484011324 /nfs/dbraw/zinc/01/13/24/484011324.db2.gz RDZUCFLTHJBDJJ-RYUDHWBXSA-N -1 0 366.436 -0.721 20 0 FBADRM COCCOCCS(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417447722 484010665 /nfs/dbraw/zinc/01/06/65/484010665.db2.gz RDZUCFLTHJBDJJ-VXGBXAGGSA-N -1 0 366.436 -0.721 20 0 FBADRM COCCN(C)S(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417447793 484011222 /nfs/dbraw/zinc/01/12/22/484011222.db2.gz RPOVTXKANLOCRR-GHMZBOCLSA-N -1 0 351.425 -0.891 20 0 FBADRM COCCN(C)S(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417447794 484011243 /nfs/dbraw/zinc/01/12/43/484011243.db2.gz RPOVTXKANLOCRR-MNOVXSKESA-N -1 0 351.425 -0.891 20 0 FBADRM COCCN(C)S(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417447795 484010292 /nfs/dbraw/zinc/01/02/92/484010292.db2.gz RPOVTXKANLOCRR-QWRGUYRKSA-N -1 0 351.425 -0.891 20 0 FBADRM COCCN(C)S(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417447796 484010239 /nfs/dbraw/zinc/01/02/39/484010239.db2.gz RPOVTXKANLOCRR-WDEREUQCSA-N -1 0 351.425 -0.891 20 0 FBADRM CCn1cncc1S(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417448609 484009162 /nfs/dbraw/zinc/00/91/62/484009162.db2.gz VMKOCIGVSQSROS-CMPLNLGQSA-N -1 0 358.420 -0.109 20 0 FBADRM CCn1cncc1S(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417448610 484009113 /nfs/dbraw/zinc/00/91/13/484009113.db2.gz VMKOCIGVSQSROS-JQWIXIFHSA-N -1 0 358.420 -0.109 20 0 FBADRM CCn1cncc1S(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417448611 484007939 /nfs/dbraw/zinc/00/79/39/484007939.db2.gz VMKOCIGVSQSROS-PWSUYJOCSA-N -1 0 358.420 -0.109 20 0 FBADRM CCn1cncc1S(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417448612 484009210 /nfs/dbraw/zinc/00/92/10/484009210.db2.gz VMKOCIGVSQSROS-ZYHUDNBSSA-N -1 0 358.420 -0.109 20 0 FBADRM CCn1cc(S(=O)(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cn1 ZINC000417448615 484008963 /nfs/dbraw/zinc/00/89/63/484008963.db2.gz VNDOEMKZQLYEPZ-NEPJUHHUSA-N -1 0 358.420 -0.109 20 0 FBADRM CCn1cc(S(=O)(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cn1 ZINC000417448616 484008562 /nfs/dbraw/zinc/00/85/62/484008562.db2.gz VNDOEMKZQLYEPZ-NWDGAFQWSA-N -1 0 358.420 -0.109 20 0 FBADRM CCn1cc(S(=O)(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cn1 ZINC000417448617 484007983 /nfs/dbraw/zinc/00/79/83/484007983.db2.gz VNDOEMKZQLYEPZ-RYUDHWBXSA-N -1 0 358.420 -0.109 20 0 FBADRM CCn1cc(S(=O)(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cn1 ZINC000417448618 484008614 /nfs/dbraw/zinc/00/86/14/484008614.db2.gz VNDOEMKZQLYEPZ-VXGBXAGGSA-N -1 0 358.420 -0.109 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417449370 484012852 /nfs/dbraw/zinc/01/28/52/484012852.db2.gz XTHNTRLYVQPLMM-CMPLNLGQSA-N -1 0 358.420 -0.283 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417449371 484012042 /nfs/dbraw/zinc/01/20/42/484012042.db2.gz XTHNTRLYVQPLMM-JQWIXIFHSA-N -1 0 358.420 -0.283 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417449372 484013188 /nfs/dbraw/zinc/01/31/88/484013188.db2.gz XTHNTRLYVQPLMM-PWSUYJOCSA-N -1 0 358.420 -0.283 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417449373 484013314 /nfs/dbraw/zinc/01/33/14/484013314.db2.gz XTHNTRLYVQPLMM-ZYHUDNBSSA-N -1 0 358.420 -0.283 20 0 FBADRM COC[C@H](C)CS(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417450027 484012784 /nfs/dbraw/zinc/01/27/84/484012784.db2.gz ZKPFTNTYLPGPCI-QJPTWQEYSA-N -1 0 350.437 -0.102 20 0 FBADRM COC[C@H](C)CS(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417450028 484012311 /nfs/dbraw/zinc/01/23/11/484012311.db2.gz ZKPFTNTYLPGPCI-SDDRHHMPSA-N -1 0 350.437 -0.102 20 0 FBADRM COC[C@H](C)CS(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417450029 484013112 /nfs/dbraw/zinc/01/31/12/484013112.db2.gz ZKPFTNTYLPGPCI-SRVKXCTJSA-N -1 0 350.437 -0.102 20 0 FBADRM COC[C@H](C)CS(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417450030 484012706 /nfs/dbraw/zinc/01/27/06/484012706.db2.gz ZKPFTNTYLPGPCI-TUAOUCFPSA-N -1 0 350.437 -0.102 20 0 FBADRM O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000417480691 484021597 /nfs/dbraw/zinc/02/15/97/484021597.db2.gz GVMBYFSLCNOFHA-GFCCVEGCSA-N -1 0 362.429 -0.753 20 0 FBADRM O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000417480692 484020461 /nfs/dbraw/zinc/02/04/61/484020461.db2.gz GVMBYFSLCNOFHA-LBPRGKRZSA-N -1 0 362.429 -0.753 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)Nc2nnc3ccccn32)C1=O ZINC000417744147 484227010 /nfs/dbraw/zinc/22/70/10/484227010.db2.gz CREZOLNBYPLPJN-CMPLNLGQSA-N -1 0 360.374 0.561 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)Nc2nnc3ccccn32)C1=O ZINC000417744156 484221021 /nfs/dbraw/zinc/22/10/21/484221021.db2.gz CREZOLNBYPLPJN-JQWIXIFHSA-N -1 0 360.374 0.561 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)Nc2nnc3ccccn32)C1=O ZINC000417744158 484221533 /nfs/dbraw/zinc/22/15/33/484221533.db2.gz CREZOLNBYPLPJN-PWSUYJOCSA-N -1 0 360.374 0.561 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)Nc2nnc3ccccn32)C1=O ZINC000417744159 484226791 /nfs/dbraw/zinc/22/67/91/484226791.db2.gz CREZOLNBYPLPJN-ZYHUDNBSSA-N -1 0 360.374 0.561 20 0 FBADRM COCCn1ccc(NC(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)n1 ZINC000417753875 484341847 /nfs/dbraw/zinc/34/18/47/484341847.db2.gz JQIUTZYEFAWUPD-AAEUAGOBSA-N -1 0 367.406 0.361 20 0 FBADRM COCCn1ccc(NC(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)n1 ZINC000417753876 484341101 /nfs/dbraw/zinc/34/11/01/484341101.db2.gz JQIUTZYEFAWUPD-DGCLKSJQSA-N -1 0 367.406 0.361 20 0 FBADRM COCCn1ccc(NC(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)n1 ZINC000417753877 484341864 /nfs/dbraw/zinc/34/18/64/484341864.db2.gz JQIUTZYEFAWUPD-WCQYABFASA-N -1 0 367.406 0.361 20 0 FBADRM COCCn1ccc(NC(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)n1 ZINC000417753878 484341454 /nfs/dbraw/zinc/34/14/54/484341454.db2.gz JQIUTZYEFAWUPD-YPMHNXCESA-N -1 0 367.406 0.361 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)Nc2nc3ccccn3n2)C1=O ZINC000417757241 484226311 /nfs/dbraw/zinc/22/63/11/484226311.db2.gz AZSHEVAKPCRTCR-CMPLNLGQSA-N -1 0 360.374 0.561 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)Nc2nc3ccccn3n2)C1=O ZINC000417757242 484221360 /nfs/dbraw/zinc/22/13/60/484221360.db2.gz AZSHEVAKPCRTCR-JQWIXIFHSA-N -1 0 360.374 0.561 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)Nc2nc3ccccn3n2)C1=O ZINC000417757243 484222223 /nfs/dbraw/zinc/22/22/23/484222223.db2.gz AZSHEVAKPCRTCR-PWSUYJOCSA-N -1 0 360.374 0.561 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)Nc2nc3ccccn3n2)C1=O ZINC000417757244 484227039 /nfs/dbraw/zinc/22/70/39/484227039.db2.gz AZSHEVAKPCRTCR-ZYHUDNBSSA-N -1 0 360.374 0.561 20 0 FBADRM COc1nnc(NC(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)s1 ZINC000417768907 484464554 /nfs/dbraw/zinc/46/45/54/484464554.db2.gz FNKJAOMNINPYFP-HTQZYQBOSA-N -1 0 357.392 0.378 20 0 FBADRM COc1nnc(NC(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)s1 ZINC000417768910 484464247 /nfs/dbraw/zinc/46/42/47/484464247.db2.gz FNKJAOMNINPYFP-JGVFFNPUSA-N -1 0 357.392 0.378 20 0 FBADRM COc1nnc(NC(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)s1 ZINC000417768911 484464592 /nfs/dbraw/zinc/46/45/92/484464592.db2.gz FNKJAOMNINPYFP-SFYZADRCSA-N -1 0 357.392 0.378 20 0 FBADRM COc1nnc(NC(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)s1 ZINC000417768912 484464510 /nfs/dbraw/zinc/46/45/10/484464510.db2.gz FNKJAOMNINPYFP-YUMQZZPRSA-N -1 0 357.392 0.378 20 0 FBADRM COc1nccc(NC(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)n1 ZINC000417771913 484463437 /nfs/dbraw/zinc/46/34/37/484463437.db2.gz IRNYTLYYIDMROH-GXSJLCMTSA-N -1 0 351.363 0.317 20 0 FBADRM COc1nccc(NC(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)n1 ZINC000417771914 484462598 /nfs/dbraw/zinc/46/25/98/484462598.db2.gz IRNYTLYYIDMROH-KOLCDFICSA-N -1 0 351.363 0.317 20 0 FBADRM COc1nccc(NC(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)n1 ZINC000417771915 484463428 /nfs/dbraw/zinc/46/34/28/484463428.db2.gz IRNYTLYYIDMROH-MWLCHTKSSA-N -1 0 351.363 0.317 20 0 FBADRM COc1nccc(NC(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)n1 ZINC000417771916 484462819 /nfs/dbraw/zinc/46/28/19/484462819.db2.gz IRNYTLYYIDMROH-ONGXEEELSA-N -1 0 351.363 0.317 20 0 FBADRM COc1ccc(NC(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)nn1 ZINC000417775476 484436759 /nfs/dbraw/zinc/43/67/59/484436759.db2.gz PBJOOYASZJDZPX-BXKDBHETSA-N -1 0 351.363 0.317 20 0 FBADRM COc1ccc(NC(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)nn1 ZINC000417775477 484436121 /nfs/dbraw/zinc/43/61/21/484436121.db2.gz PBJOOYASZJDZPX-CABZTGNLSA-N -1 0 351.363 0.317 20 0 FBADRM COc1ccc(NC(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)nn1 ZINC000417775478 484436340 /nfs/dbraw/zinc/43/63/40/484436340.db2.gz PBJOOYASZJDZPX-JOYOIKCWSA-N -1 0 351.363 0.317 20 0 FBADRM COc1ccc(NC(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)nn1 ZINC000417775479 484436224 /nfs/dbraw/zinc/43/62/24/484436224.db2.gz PBJOOYASZJDZPX-SKDRFNHKSA-N -1 0 351.363 0.317 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)Nc2nc3n(n2)CCCC3)C1=O ZINC000417799464 484226388 /nfs/dbraw/zinc/22/63/88/484226388.db2.gz XBPRZQOBFUJRDE-CMPLNLGQSA-N -1 0 364.406 0.446 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)Nc2nc3n(n2)CCCC3)C1=O ZINC000417799469 484221386 /nfs/dbraw/zinc/22/13/86/484221386.db2.gz XBPRZQOBFUJRDE-JQWIXIFHSA-N -1 0 364.406 0.446 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)Nc2nc3n(n2)CCCC3)C1=O ZINC000417799473 484221333 /nfs/dbraw/zinc/22/13/33/484221333.db2.gz XBPRZQOBFUJRDE-PWSUYJOCSA-N -1 0 364.406 0.446 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)Nc2nc3n(n2)CCCC3)C1=O ZINC000417799475 484226597 /nfs/dbraw/zinc/22/65/97/484226597.db2.gz XBPRZQOBFUJRDE-ZYHUDNBSSA-N -1 0 364.406 0.446 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCNC(=O)c2cccs2)C1 ZINC000420523445 484869203 /nfs/dbraw/zinc/86/92/03/484869203.db2.gz AFSZQNNBNKKEHL-HNNXBMFYSA-N -1 0 353.400 -0.083 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCNC(=O)c2cccs2)C1 ZINC000420523446 484869701 /nfs/dbraw/zinc/86/97/01/484869701.db2.gz AFSZQNNBNKKEHL-OAHLLOKOSA-N -1 0 353.400 -0.083 20 0 FBADRM CN(CCCC(=O)[O-])C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000420524590 484868940 /nfs/dbraw/zinc/86/89/40/484868940.db2.gz CWJWZQPNQLWYAW-UHFFFAOYSA-N -1 0 371.415 -0.596 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)C1 ZINC000420525955 484869713 /nfs/dbraw/zinc/86/97/13/484869713.db2.gz GJRCRXJVZGCNBH-LLVKDONJSA-N -1 0 369.399 -0.986 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)C1 ZINC000420525958 484869224 /nfs/dbraw/zinc/86/92/24/484869224.db2.gz GJRCRXJVZGCNBH-NSHDSACASA-N -1 0 369.399 -0.986 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000420526347 484868801 /nfs/dbraw/zinc/86/88/01/484868801.db2.gz GRWULJGTMJUTQP-LLVKDONJSA-N -1 0 371.415 -0.740 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000420526348 484868767 /nfs/dbraw/zinc/86/87/67/484868767.db2.gz GRWULJGTMJUTQP-NSHDSACASA-N -1 0 371.415 -0.740 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCCCC(=O)[O-])cc1 ZINC000420526419 484869751 /nfs/dbraw/zinc/86/97/51/484869751.db2.gz HDXRDAPLJQSEQK-UHFFFAOYSA-N -1 0 371.415 -0.629 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)NCCCN1CCCC1=O)C2 ZINC000420528221 484869387 /nfs/dbraw/zinc/86/93/87/484869387.db2.gz JOXIMHDWBHQZOQ-YVEFUNNKSA-N -1 0 351.403 -0.172 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)NCCNC(=O)c1cccnc1)C2 ZINC000420529253 484869604 /nfs/dbraw/zinc/86/96/04/484869604.db2.gz CFZSATBOIDLOKR-SCLBCKFNSA-N -1 0 374.397 -0.359 20 0 FBADRM O=C(CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)NC1CC1 ZINC000420529331 484869649 /nfs/dbraw/zinc/86/96/49/484869649.db2.gz CRVNNAWXQYFZGC-APPDUMDISA-N -1 0 351.403 -0.125 20 0 FBADRM Cc1ccc(C(=O)NCCNC(=O)C(=O)N(C)CCC(=O)[O-])cc1F ZINC000420530854 484869577 /nfs/dbraw/zinc/86/95/77/484869577.db2.gz OGZCIKJLRLGGJX-UHFFFAOYSA-N -1 0 353.350 -0.087 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)NCC(=O)N1CCCCC1)C2 ZINC000420530944 484869567 /nfs/dbraw/zinc/86/95/67/484869567.db2.gz FSHORWINJIHIAR-YVEFUNNKSA-N -1 0 351.403 -0.172 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC000420530978 484869718 /nfs/dbraw/zinc/86/97/18/484869718.db2.gz FUNBSOSHGXMYDE-JTQLQIEISA-N -1 0 350.327 -0.157 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC000420530981 484869765 /nfs/dbraw/zinc/86/97/65/484869765.db2.gz FUNBSOSHGXMYDE-SNVBAGLBSA-N -1 0 350.327 -0.157 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000420531126 484869347 /nfs/dbraw/zinc/86/93/47/484869347.db2.gz GFYPWKVPVJAMAB-PXAZEXFGSA-N -1 0 361.402 -0.115 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000420531129 484869300 /nfs/dbraw/zinc/86/93/00/484869300.db2.gz GFYPWKVPVJAMAB-SJCJKPOMSA-N -1 0 361.402 -0.115 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000420531131 484869572 /nfs/dbraw/zinc/86/95/72/484869572.db2.gz GFYPWKVPVJAMAB-SJKOYZFVSA-N -1 0 361.402 -0.115 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000420531134 484869092 /nfs/dbraw/zinc/86/90/92/484869092.db2.gz GFYPWKVPVJAMAB-YVEFUNNKSA-N -1 0 361.402 -0.115 20 0 FBADRM COc1ccc(C(=O)NCCNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000420532305 484869074 /nfs/dbraw/zinc/86/90/74/484869074.db2.gz AYSURSGZYFYRLB-GFCCVEGCSA-N -1 0 363.370 -0.526 20 0 FBADRM COc1ccc(C(=O)NCCNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000420532307 484869118 /nfs/dbraw/zinc/86/91/18/484869118.db2.gz AYSURSGZYFYRLB-LBPRGKRZSA-N -1 0 363.370 -0.526 20 0 FBADRM Cc1ccc(C(=O)NCCNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1F ZINC000420533007 484868790 /nfs/dbraw/zinc/86/87/90/484868790.db2.gz QYEQXFYHVALUHF-GFCCVEGCSA-N -1 0 365.361 -0.087 20 0 FBADRM Cc1ccc(C(=O)NCCNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1F ZINC000420533010 484869377 /nfs/dbraw/zinc/86/93/77/484869377.db2.gz QYEQXFYHVALUHF-LBPRGKRZSA-N -1 0 365.361 -0.087 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000420534035 484869495 /nfs/dbraw/zinc/86/94/95/484869495.db2.gz JRMOQRHNMMZWOJ-UHFFFAOYSA-N -1 0 362.791 -0.179 20 0 FBADRM COc1ccc(C(=O)NCCNC(=O)C(=O)N(C)CCC(=O)[O-])cc1 ZINC000420534425 484868991 /nfs/dbraw/zinc/86/89/91/484868991.db2.gz DBUUCUXVHJRJJF-UHFFFAOYSA-N -1 0 351.359 -0.526 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000420536661 484870841 /nfs/dbraw/zinc/87/08/41/484870841.db2.gz MUWJQIVGMWOVRD-AWEZNQCLSA-N -1 0 363.436 -0.903 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000420536662 484870780 /nfs/dbraw/zinc/87/07/80/484870780.db2.gz MUWJQIVGMWOVRD-CQSZACIVSA-N -1 0 363.436 -0.903 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N(C)CCC(=O)[O-])cc1 ZINC000420536831 484870845 /nfs/dbraw/zinc/87/08/45/484870845.db2.gz WZLKNWHBZURYLM-UHFFFAOYSA-N -1 0 371.415 -0.677 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000420536858 484870650 /nfs/dbraw/zinc/87/06/50/484870650.db2.gz XGDINEDHYUIARI-UHFFFAOYSA-N -1 0 363.296 -0.043 20 0 FBADRM CN(CCCC(=O)[O-])C(=O)C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000420537985 484870914 /nfs/dbraw/zinc/87/09/14/484870914.db2.gz IFSYFQZCTUBLSE-UHFFFAOYSA-N -1 0 361.354 -0.278 20 0 FBADRM Cc1ccc(C(=O)NCCNC(=O)C(=O)NCCCC(=O)[O-])cc1F ZINC000420538115 484870087 /nfs/dbraw/zinc/87/00/87/484870087.db2.gz ZTDIQGWIGAIQMC-UHFFFAOYSA-N -1 0 353.350 -0.039 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCS(=O)(=O)c2ccccc2)C1 ZINC000420538229 484870925 /nfs/dbraw/zinc/87/09/25/484870925.db2.gz OXSIALRTMYLTGQ-INIZCTEOSA-N -1 0 368.411 -0.100 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCS(=O)(=O)c2ccccc2)C1 ZINC000420538230 484870616 /nfs/dbraw/zinc/87/06/16/484870616.db2.gz OXSIALRTMYLTGQ-MRXNPFEDSA-N -1 0 368.411 -0.100 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCCNC(=O)CC2CCCC2)C[C@H]1C(=O)[O-] ZINC000420541811 484870699 /nfs/dbraw/zinc/87/06/99/484870699.db2.gz ALPMTOSHPOTLLJ-DGCLKSJQSA-N -1 0 353.419 -0.022 20 0 FBADRM C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000420542203 484870543 /nfs/dbraw/zinc/87/05/43/484870543.db2.gz KKDSYZFJQIYNBO-BWACUDIHSA-N -1 0 351.403 -0.173 20 0 FBADRM C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000420542205 484870186 /nfs/dbraw/zinc/87/01/86/484870186.db2.gz KKDSYZFJQIYNBO-NVGCLXPQSA-N -1 0 351.403 -0.173 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCC(=O)N2CCc3ccccc3C2)C1 ZINC000420542455 484870628 /nfs/dbraw/zinc/87/06/28/484870628.db2.gz BTZBXIRSOGUBAH-AWEZNQCLSA-N -1 0 359.382 -0.379 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCC(=O)N2CCc3ccccc3C2)C1 ZINC000420542458 484870304 /nfs/dbraw/zinc/87/03/04/484870304.db2.gz BTZBXIRSOGUBAH-CQSZACIVSA-N -1 0 359.382 -0.379 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCNC(=O)c2ccc(F)cc2)C1 ZINC000420542570 484870395 /nfs/dbraw/zinc/87/03/95/484870395.db2.gz BRPGLRNYLYRXMP-KRWDZBQOSA-N -1 0 365.361 -0.005 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCNC(=O)c2ccc(F)cc2)C1 ZINC000420542571 484870461 /nfs/dbraw/zinc/87/04/61/484870461.db2.gz BRPGLRNYLYRXMP-QGZVFWFLSA-N -1 0 365.361 -0.005 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)C1 ZINC000420542720 484870752 /nfs/dbraw/zinc/87/07/52/484870752.db2.gz LHDKPCPOEQWHDV-GOSISDBHSA-N -1 0 373.365 -0.278 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)C1 ZINC000420542722 484870804 /nfs/dbraw/zinc/87/08/04/484870804.db2.gz LHDKPCPOEQWHDV-SFHVURJKSA-N -1 0 373.365 -0.278 20 0 FBADRM CCN(CCCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)S(C)(=O)=O ZINC000420542773 484870434 /nfs/dbraw/zinc/87/04/34/484870434.db2.gz LJBCMVOOKLPWLE-AWEZNQCLSA-N -1 0 363.436 -0.903 20 0 FBADRM CCN(CCCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)S(C)(=O)=O ZINC000420542775 484870417 /nfs/dbraw/zinc/87/04/17/484870417.db2.gz LJBCMVOOKLPWLE-CQSZACIVSA-N -1 0 363.436 -0.903 20 0 FBADRM COc1ccc(C(=O)NCCNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])cc1 ZINC000420543192 484870622 /nfs/dbraw/zinc/87/06/22/484870622.db2.gz MNFMMUVILDPUFX-LLVKDONJSA-N -1 0 365.386 -0.280 20 0 FBADRM COc1ccc(C(=O)NCCNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])cc1 ZINC000420543193 484870468 /nfs/dbraw/zinc/87/04/68/484870468.db2.gz MNFMMUVILDPUFX-NSHDSACASA-N -1 0 365.386 -0.280 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000420543682 484870449 /nfs/dbraw/zinc/87/04/49/484870449.db2.gz FSYAAVSKVJTKDA-KBPBESRZSA-N -1 0 359.382 -0.163 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000420543683 484870639 /nfs/dbraw/zinc/87/06/39/484870639.db2.gz FSYAAVSKVJTKDA-KGLIPLIRSA-N -1 0 359.382 -0.163 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000420543684 484870479 /nfs/dbraw/zinc/87/04/79/484870479.db2.gz FSYAAVSKVJTKDA-UONOGXRCSA-N -1 0 359.382 -0.163 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000420543685 484870829 /nfs/dbraw/zinc/87/08/29/484870829.db2.gz FSYAAVSKVJTKDA-ZIAGYGMSSA-N -1 0 359.382 -0.163 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)NCCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000420543750 484870707 /nfs/dbraw/zinc/87/07/07/484870707.db2.gz OAIKFQUZFBWCGF-JTQLQIEISA-N -1 0 361.354 -0.422 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)NCCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000420543751 484871074 /nfs/dbraw/zinc/87/10/74/484871074.db2.gz OAIKFQUZFBWCGF-SNVBAGLBSA-N -1 0 361.354 -0.422 20 0 FBADRM CN(CCCC(=O)[O-])C(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000420543887 484870998 /nfs/dbraw/zinc/87/09/98/484870998.db2.gz GNQPFJWOMOTKHF-UHFFFAOYSA-N -1 0 367.377 -0.076 20 0 FBADRM COc1ccc(C(=O)NCCNC(=O)C(=O)N(C)CCCC(=O)[O-])cc1 ZINC000420544693 484870983 /nfs/dbraw/zinc/87/09/83/484870983.db2.gz QRPWDBHFEBSGDI-UHFFFAOYSA-N -1 0 365.386 -0.136 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)C1 ZINC000420544737 484870426 /nfs/dbraw/zinc/87/04/26/484870426.db2.gz IQDPHRKOCMYDTR-GFCCVEGCSA-N -1 0 365.361 -0.466 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)C1 ZINC000420544738 484870634 /nfs/dbraw/zinc/87/06/34/484870634.db2.gz IQDPHRKOCMYDTR-LBPRGKRZSA-N -1 0 365.361 -0.466 20 0 FBADRM CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000420544779 484870658 /nfs/dbraw/zinc/87/06/58/484870658.db2.gz IUSMBBHDQPAGFJ-LLVKDONJSA-N -1 0 363.436 -0.903 20 0 FBADRM CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000420544780 484870073 /nfs/dbraw/zinc/87/00/73/484870073.db2.gz IUSMBBHDQPAGFJ-NSHDSACASA-N -1 0 363.436 -0.903 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)NCC(=O)N1CCc2ccccc2C1)C(=O)[O-] ZINC000420545631 484870130 /nfs/dbraw/zinc/87/01/30/484870130.db2.gz KSLHIOOOSHLRJL-GFCCVEGCSA-N -1 0 361.398 -0.133 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)NCC(=O)N1CCc2ccccc2C1)C(=O)[O-] ZINC000420545635 484870525 /nfs/dbraw/zinc/87/05/25/484870525.db2.gz KSLHIOOOSHLRJL-LBPRGKRZSA-N -1 0 361.398 -0.133 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)C1 ZINC000420546403 484870825 /nfs/dbraw/zinc/87/08/25/484870825.db2.gz WFUGZGPZOUQVGQ-JTQLQIEISA-N -1 0 359.338 -0.668 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)C1 ZINC000420546404 484870532 /nfs/dbraw/zinc/87/05/32/484870532.db2.gz WFUGZGPZOUQVGQ-SNVBAGLBSA-N -1 0 359.338 -0.668 20 0 FBADRM Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CC[C@](C)(C(=O)[O-])C3)C2)cn1 ZINC000420546814 484870837 /nfs/dbraw/zinc/87/08/37/484870837.db2.gz CJOMQYYHDLNJDX-PXAZEXFGSA-N -1 0 363.418 -0.172 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@](C)(C(=O)[O-])C3)C2)cn1 ZINC000420546815 484870538 /nfs/dbraw/zinc/87/05/38/484870538.db2.gz CJOMQYYHDLNJDX-SJCJKPOMSA-N -1 0 363.418 -0.172 20 0 FBADRM Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CC[C@@](C)(C(=O)[O-])C3)C2)cn1 ZINC000420546816 484870098 /nfs/dbraw/zinc/87/00/98/484870098.db2.gz CJOMQYYHDLNJDX-SJKOYZFVSA-N -1 0 363.418 -0.172 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@@](C)(C(=O)[O-])C3)C2)cn1 ZINC000420546817 484871056 /nfs/dbraw/zinc/87/10/56/484871056.db2.gz CJOMQYYHDLNJDX-YVEFUNNKSA-N -1 0 363.418 -0.172 20 0 FBADRM CC(C)N1C[C@@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1=O ZINC000420547011 484870989 /nfs/dbraw/zinc/87/09/89/484870989.db2.gz NDUBEJKWBWFSLN-NVGCLXPQSA-N -1 0 351.403 -0.175 20 0 FBADRM CC(C)N1C[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1=O ZINC000420547012 484870644 /nfs/dbraw/zinc/87/06/44/484870644.db2.gz NDUBEJKWBWFSLN-XWCIJXRUSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1=O ZINC000420547157 484870517 /nfs/dbraw/zinc/87/05/17/484870517.db2.gz AFNYGBDQHBVHFU-APPZKNGHSA-N -1 0 363.414 -0.175 20 0 FBADRM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1=O ZINC000420547160 484870769 /nfs/dbraw/zinc/87/07/69/484870769.db2.gz AFNYGBDQHBVHFU-IPRZXVQFSA-N -1 0 363.414 -0.175 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1=O ZINC000420547162 484870876 /nfs/dbraw/zinc/87/08/76/484870876.db2.gz AFNYGBDQHBVHFU-UBOLZZJRSA-N -1 0 363.414 -0.175 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1=O ZINC000420547165 484870314 /nfs/dbraw/zinc/87/03/14/484870314.db2.gz AFNYGBDQHBVHFU-YVHNNKAESA-N -1 0 363.414 -0.175 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2OCCO)C[C@H]1C(=O)[O-] ZINC000420547665 484870549 /nfs/dbraw/zinc/87/05/49/484870549.db2.gz DITYXUMHSURSEV-DGCLKSJQSA-N -1 0 350.371 -0.147 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)NCCCN1C(=O)COc2ccccc21 ZINC000420547705 484870160 /nfs/dbraw/zinc/87/01/60/484870160.db2.gz DODUCEPJFHMDDF-UHFFFAOYSA-N -1 0 363.370 -0.101 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2ccccc2OCCO)C1 ZINC000420549224 484870662 /nfs/dbraw/zinc/87/06/62/484870662.db2.gz FMTVIKNNZXQCGA-KRWDZBQOSA-N -1 0 350.371 -0.003 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2ccccc2OCCO)C1 ZINC000420549226 484870174 /nfs/dbraw/zinc/87/01/74/484870174.db2.gz FMTVIKNNZXQCGA-QGZVFWFLSA-N -1 0 350.371 -0.003 20 0 FBADRM CC(C)(C)C(=O)NCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000420549645 484870440 /nfs/dbraw/zinc/87/04/40/484870440.db2.gz QBMFJFCACCAGDC-APPDUMDISA-N -1 0 353.419 -0.022 20 0 FBADRM CC(C)C(=O)NCCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000420549874 484870739 /nfs/dbraw/zinc/87/07/39/484870739.db2.gz CEZHJPIKUKUHPY-YVEFUNNKSA-N -1 0 353.419 -0.022 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000420550847 484870774 /nfs/dbraw/zinc/87/07/74/484870774.db2.gz FFWCOSIJSATONQ-JTQLQIEISA-N -1 0 355.297 -0.223 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000420550848 484871007 /nfs/dbraw/zinc/87/10/07/484871007.db2.gz FFWCOSIJSATONQ-SNVBAGLBSA-N -1 0 355.297 -0.223 20 0 FBADRM CN1C(=O)C[C@@H](NC(=O)C(=O)NCCC(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000420552136 484870486 /nfs/dbraw/zinc/87/04/86/484870486.db2.gz FHHSWHVAVQEERX-BXUZGUMPSA-N -1 0 369.324 -0.056 20 0 FBADRM CN1C(=O)C[C@H](NC(=O)C(=O)NCCC(=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000420552139 484870963 /nfs/dbraw/zinc/87/09/63/484870963.db2.gz FHHSWHVAVQEERX-FZMZJTMJSA-N -1 0 369.324 -0.056 20 0 FBADRM CN1C(=O)C[C@@H](NC(=O)C(=O)NCCC(=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000420552141 484870938 /nfs/dbraw/zinc/87/09/38/484870938.db2.gz FHHSWHVAVQEERX-RISCZKNCSA-N -1 0 369.324 -0.056 20 0 FBADRM CN1C(=O)C[C@H](NC(=O)C(=O)NCCC(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000420552143 484871034 /nfs/dbraw/zinc/87/10/34/484871034.db2.gz FHHSWHVAVQEERX-SMDDNHRTSA-N -1 0 369.324 -0.056 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@H]1CCCCS1(=O)=O)C2 ZINC000420552558 484870495 /nfs/dbraw/zinc/87/04/95/484870495.db2.gz FYAIBLORGUUAIJ-HWWQOWPSSA-N -1 0 372.443 -0.217 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O)C2 ZINC000420552560 484870569 /nfs/dbraw/zinc/87/05/69/484870569.db2.gz FYAIBLORGUUAIJ-MQIPJXDCSA-N -1 0 372.443 -0.217 20 0 FBADRM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000420552631 484870745 /nfs/dbraw/zinc/87/07/45/484870745.db2.gz GPORMFFNMOXQMH-GUUCOKDPSA-N -1 0 351.403 -0.269 20 0 FBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000420552633 484870264 /nfs/dbraw/zinc/87/02/64/484870264.db2.gz GPORMFFNMOXQMH-HBGPKNEHSA-N -1 0 351.403 -0.269 20 0 FBADRM CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000420552636 484870256 /nfs/dbraw/zinc/87/02/56/484870256.db2.gz GPORMFFNMOXQMH-KVFJLYFUSA-N -1 0 351.403 -0.269 20 0 FBADRM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000420552638 484870694 /nfs/dbraw/zinc/87/06/94/484870694.db2.gz GPORMFFNMOXQMH-SHFDMQKMSA-N -1 0 351.403 -0.269 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1)C(=O)[O-] ZINC000420552687 484870405 /nfs/dbraw/zinc/87/04/05/484870405.db2.gz SPZWBGPTGDYBGT-LLVKDONJSA-N -1 0 367.377 -0.220 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1)C(=O)[O-] ZINC000420552690 484870833 /nfs/dbraw/zinc/87/08/33/484870833.db2.gz SPZWBGPTGDYBGT-NSHDSACASA-N -1 0 367.377 -0.220 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCNC(=O)c2ccccc2F)C1 ZINC000420553047 484872408 /nfs/dbraw/zinc/87/24/08/484872408.db2.gz GHLVCOCMKMHTGX-KRWDZBQOSA-N -1 0 365.361 -0.005 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCNC(=O)c2ccccc2F)C1 ZINC000420553048 484871878 /nfs/dbraw/zinc/87/18/78/484871878.db2.gz GHLVCOCMKMHTGX-QGZVFWFLSA-N -1 0 365.361 -0.005 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)NCCS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000420553191 484872201 /nfs/dbraw/zinc/87/22/01/484872201.db2.gz GZOCLSWYQFWMDS-JTQLQIEISA-N -1 0 374.390 -0.105 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)NCCS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000420553192 484872141 /nfs/dbraw/zinc/87/21/41/484872141.db2.gz GZOCLSWYQFWMDS-SNVBAGLBSA-N -1 0 374.390 -0.105 20 0 FBADRM CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000420553949 484872222 /nfs/dbraw/zinc/87/22/22/484872222.db2.gz ULGMYJWLZDWDHM-AWEZNQCLSA-N -1 0 363.436 -0.903 20 0 FBADRM CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000420553952 484872786 /nfs/dbraw/zinc/87/27/86/484872786.db2.gz ULGMYJWLZDWDHM-CQSZACIVSA-N -1 0 363.436 -0.903 20 0 FBADRM COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N(C)CCC(=O)[O-])C1=O ZINC000420554412 484872329 /nfs/dbraw/zinc/87/23/29/484872329.db2.gz HXTTVFBNOQTSJA-LLVKDONJSA-N -1 0 363.370 -0.150 20 0 FBADRM CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NCCC(=O)[O-])C2)nc1 ZINC000420554785 484872305 /nfs/dbraw/zinc/87/23/05/484872305.db2.gz HVAAKZLNGNXOPN-UHFFFAOYSA-N -1 0 364.358 -0.846 20 0 FBADRM COc1ccccc1N1CC[C@H](NC(=O)C(=O)N(C)CCC(=O)[O-])C1=O ZINC000420554792 484872613 /nfs/dbraw/zinc/87/26/13/484872613.db2.gz HXTTVFBNOQTSJA-NSHDSACASA-N -1 0 363.370 -0.150 20 0 FBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000420555096 484872194 /nfs/dbraw/zinc/87/21/94/484872194.db2.gz IVWJQDLKSKCZRJ-JRPNMDOOSA-N -1 0 360.432 -0.361 20 0 FBADRM CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000420555097 484871599 /nfs/dbraw/zinc/87/15/99/484871599.db2.gz IVWJQDLKSKCZRJ-ZIBATOQPSA-N -1 0 360.432 -0.361 20 0 FBADRM COCCN1CCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)CC1=O ZINC000420555147 484871498 /nfs/dbraw/zinc/87/14/98/484871498.db2.gz DIUWZNVHAWYZJY-UHFFFAOYSA-N -1 0 355.391 -0.937 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)NCCNC(=O)c1ccccc1F)C(=O)[O-] ZINC000420555651 484871911 /nfs/dbraw/zinc/87/19/11/484871911.db2.gz IMZDMIRPQNTVPS-JTQLQIEISA-N -1 0 353.350 -0.149 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)NCCNC(=O)c1ccccc1F)C(=O)[O-] ZINC000420555653 484871521 /nfs/dbraw/zinc/87/15/21/484871521.db2.gz IMZDMIRPQNTVPS-SNVBAGLBSA-N -1 0 353.350 -0.149 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000420556498 484871590 /nfs/dbraw/zinc/87/15/90/484871590.db2.gz VZHHGQJADOXQRL-UHFFFAOYSA-N -1 0 362.386 -0.958 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000420556557 484871997 /nfs/dbraw/zinc/87/19/97/484871997.db2.gz JFLVSYUQQBLKNO-CYBMUJFWSA-N -1 0 365.361 -0.024 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000420556558 484872005 /nfs/dbraw/zinc/87/20/05/484872005.db2.gz JFLVSYUQQBLKNO-ZDUSSCGKSA-N -1 0 365.361 -0.024 20 0 FBADRM CN(C)c1nccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)n1 ZINC000420556602 484871638 /nfs/dbraw/zinc/87/16/38/484871638.db2.gz JLZCIQOTWMJZPL-APPDUMDISA-N -1 0 361.402 -0.128 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000420556745 484872515 /nfs/dbraw/zinc/87/25/15/484872515.db2.gz JKKXNRRPJGCSJI-NEPJUHHUSA-N -1 0 351.403 -0.031 20 0 FBADRM COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])C1=O ZINC000420556746 484872023 /nfs/dbraw/zinc/87/20/23/484872023.db2.gz JOYLXABULZQDSY-LLVKDONJSA-N -1 0 363.370 -0.102 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000420556747 484872013 /nfs/dbraw/zinc/87/20/13/484872013.db2.gz JKKXNRRPJGCSJI-NWDGAFQWSA-N -1 0 351.403 -0.031 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000420556749 484871655 /nfs/dbraw/zinc/87/16/55/484871655.db2.gz JKKXNRRPJGCSJI-RYUDHWBXSA-N -1 0 351.403 -0.031 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000420556751 484871670 /nfs/dbraw/zinc/87/16/70/484871670.db2.gz JKKXNRRPJGCSJI-VXGBXAGGSA-N -1 0 351.403 -0.031 20 0 FBADRM COc1ccccc1N1CC[C@H](NC(=O)C(=O)NCCCC(=O)[O-])C1=O ZINC000420556754 484872757 /nfs/dbraw/zinc/87/27/57/484872757.db2.gz JOYLXABULZQDSY-NSHDSACASA-N -1 0 363.370 -0.102 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCCNC(=O)c2ccc(F)cc2)C1 ZINC000420556945 484872158 /nfs/dbraw/zinc/87/21/58/484872158.db2.gz JXWKLLLUPAQEQI-GFCCVEGCSA-N -1 0 365.361 -0.005 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCCNC(=O)c2ccc(F)cc2)C1 ZINC000420556946 484871481 /nfs/dbraw/zinc/87/14/81/484871481.db2.gz JXWKLLLUPAQEQI-LBPRGKRZSA-N -1 0 365.361 -0.005 20 0 FBADRM COC(=O)COc1cccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000420557856 484872296 /nfs/dbraw/zinc/87/22/96/484872296.db2.gz KOFSPFCXJTWHNU-GFCCVEGCSA-N -1 0 364.354 -0.212 20 0 FBADRM COC(=O)COc1cccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000420557867 484872208 /nfs/dbraw/zinc/87/22/08/484872208.db2.gz KOFSPFCXJTWHNU-LBPRGKRZSA-N -1 0 364.354 -0.212 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)CC1=O ZINC000420558329 484871538 /nfs/dbraw/zinc/87/15/38/484871538.db2.gz KQPLSILARWINFR-IIBVRRFFSA-N -1 0 351.403 -0.129 20 0 FBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)CC1=O ZINC000420558332 484872364 /nfs/dbraw/zinc/87/23/64/484872364.db2.gz KQPLSILARWINFR-PZVBLHEMSA-N -1 0 351.403 -0.129 20 0 FBADRM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)CC1=O ZINC000420558335 484871662 /nfs/dbraw/zinc/87/16/62/484871662.db2.gz KQPLSILARWINFR-RXDNMWQFSA-N -1 0 351.403 -0.129 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)CC1=O ZINC000420558337 484872398 /nfs/dbraw/zinc/87/23/98/484872398.db2.gz KQPLSILARWINFR-ZMZXKLSGSA-N -1 0 351.403 -0.129 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000420559233 484867616 /nfs/dbraw/zinc/86/76/16/484867616.db2.gz NBTNOWDEYKBXOY-GFCCVEGCSA-N -1 0 363.370 -0.627 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000420559235 484867704 /nfs/dbraw/zinc/86/77/04/484867704.db2.gz NBTNOWDEYKBXOY-LBPRGKRZSA-N -1 0 363.370 -0.627 20 0 FBADRM CCNC(=O)C(C)(C)CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000420560252 484867554 /nfs/dbraw/zinc/86/75/54/484867554.db2.gz MDFVTUQXXVAQIL-APPDUMDISA-N -1 0 353.419 -0.022 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000420560301 484868345 /nfs/dbraw/zinc/86/83/45/484868345.db2.gz MFTIYLVIODAQIA-HZSPNIEDSA-N -1 0 359.382 -0.150 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000420560305 484868218 /nfs/dbraw/zinc/86/82/18/484868218.db2.gz MFTIYLVIODAQIA-MCIONIFRSA-N -1 0 359.382 -0.150 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000420560307 484867141 /nfs/dbraw/zinc/86/71/41/484867141.db2.gz MFTIYLVIODAQIA-MGPQQGTHSA-N -1 0 359.382 -0.150 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000420560310 484868152 /nfs/dbraw/zinc/86/81/52/484868152.db2.gz MFTIYLVIODAQIA-RDBSUJKOSA-N -1 0 359.382 -0.150 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000420560807 484867454 /nfs/dbraw/zinc/86/74/54/484867454.db2.gz NNOOXOMSQRIWBC-MRVPVSSYSA-N -1 0 355.297 -0.223 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000420560809 484868305 /nfs/dbraw/zinc/86/83/05/484868305.db2.gz NNOOXOMSQRIWBC-QMMMGPOBSA-N -1 0 355.297 -0.223 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000420561435 484867607 /nfs/dbraw/zinc/86/76/07/484867607.db2.gz YRNLDTBBBXNBLO-UHFFFAOYSA-N -1 0 371.415 -0.555 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1 ZINC000420561989 484867710 /nfs/dbraw/zinc/86/77/10/484867710.db2.gz OUHVJSKBGKQLNI-NVGCLXPQSA-N -1 0 366.418 -0.380 20 0 FBADRM CCNC(=O)N1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1 ZINC000420561990 484867995 /nfs/dbraw/zinc/86/79/95/484867995.db2.gz OUHVJSKBGKQLNI-XWCIJXRUSA-N -1 0 366.418 -0.380 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)NCCNC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000420562407 484867872 /nfs/dbraw/zinc/86/78/72/484867872.db2.gz ORXZSRILKPVPOK-JTQLQIEISA-N -1 0 353.350 -0.149 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)NCCNC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000420562408 484869427 /nfs/dbraw/zinc/86/94/27/484869427.db2.gz ORXZSRILKPVPOK-SNVBAGLBSA-N -1 0 353.350 -0.149 20 0 FBADRM CC(C)N1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1=O ZINC000420562438 484869638 /nfs/dbraw/zinc/86/96/38/484869638.db2.gz OTVCPIFRHGTZCK-NVGCLXPQSA-N -1 0 351.403 -0.175 20 0 FBADRM CC(C)N1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1=O ZINC000420562440 484868885 /nfs/dbraw/zinc/86/88/85/484868885.db2.gz OTVCPIFRHGTZCK-XWCIJXRUSA-N -1 0 351.403 -0.175 20 0 FBADRM COCCn1cc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cn1 ZINC000420563170 484869487 /nfs/dbraw/zinc/86/94/87/484869487.db2.gz OMONGGKSJMJVHS-SUMWQHHRSA-N -1 0 364.402 -0.141 20 0 FBADRM CN(C)c1ncc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)n1C ZINC000420563233 484868778 /nfs/dbraw/zinc/86/87/78/484868778.db2.gz PFRFNBBPVDBLGO-APPDUMDISA-N -1 0 363.418 -0.184 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O)C(=O)[O-] ZINC000420564154 484869135 /nfs/dbraw/zinc/86/91/35/484869135.db2.gz PRAZJTGJEYUFPT-AAEUAGOBSA-N -1 0 362.386 -0.128 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O)C(=O)[O-] ZINC000420564157 484869585 /nfs/dbraw/zinc/86/95/85/484869585.db2.gz PRAZJTGJEYUFPT-DGCLKSJQSA-N -1 0 362.386 -0.128 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O)C(=O)[O-] ZINC000420564159 484869236 /nfs/dbraw/zinc/86/92/36/484869236.db2.gz PRAZJTGJEYUFPT-WCQYABFASA-N -1 0 362.386 -0.128 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O)C(=O)[O-] ZINC000420564162 484869771 /nfs/dbraw/zinc/86/97/71/484869771.db2.gz PRAZJTGJEYUFPT-YPMHNXCESA-N -1 0 362.386 -0.128 20 0 FBADRM O=C([O-])CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000420564494 484868746 /nfs/dbraw/zinc/86/87/46/484868746.db2.gz RHRPLKHIJFPSSL-NEPJUHHUSA-N -1 0 351.403 -0.031 20 0 FBADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000420564495 484869367 /nfs/dbraw/zinc/86/93/67/484869367.db2.gz RHRPLKHIJFPSSL-NWDGAFQWSA-N -1 0 351.403 -0.031 20 0 FBADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000420564497 484868758 /nfs/dbraw/zinc/86/87/58/484868758.db2.gz RHRPLKHIJFPSSL-RYUDHWBXSA-N -1 0 351.403 -0.031 20 0 FBADRM O=C([O-])CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000420564498 484869642 /nfs/dbraw/zinc/86/96/42/484869642.db2.gz RHRPLKHIJFPSSL-VXGBXAGGSA-N -1 0 351.403 -0.031 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000420565170 484869213 /nfs/dbraw/zinc/86/92/13/484869213.db2.gz QRBKKDXWYWYSJA-UHFFFAOYSA-N -1 0 353.350 -0.005 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCNC(=O)c2ccc(F)cc2)C1 ZINC000420565181 484868808 /nfs/dbraw/zinc/86/88/08/484868808.db2.gz QRTIECSJPCCSSZ-LLVKDONJSA-N -1 0 351.334 -0.395 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCNC(=O)c2ccc(F)cc2)C1 ZINC000420565186 484869554 /nfs/dbraw/zinc/86/95/54/484869554.db2.gz QRTIECSJPCCSSZ-NSHDSACASA-N -1 0 351.334 -0.395 20 0 FBADRM CCc1nn(C)c(OC)c1CNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000420565492 484869015 /nfs/dbraw/zinc/86/90/15/484869015.db2.gz SPSDSNBORLAXDC-INIZCTEOSA-N -1 0 352.391 -0.070 20 0 FBADRM CCc1nn(C)c(OC)c1CNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000420565493 484869241 /nfs/dbraw/zinc/86/92/41/484869241.db2.gz SPSDSNBORLAXDC-MRXNPFEDSA-N -1 0 352.391 -0.070 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O ZINC000420565691 484869420 /nfs/dbraw/zinc/86/94/20/484869420.db2.gz RBBFUWZCRQIVMG-AWEZNQCLSA-N -1 0 361.398 -0.073 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O ZINC000420565694 484869532 /nfs/dbraw/zinc/86/95/32/484869532.db2.gz RBBFUWZCRQIVMG-CQSZACIVSA-N -1 0 361.398 -0.073 20 0 FBADRM CN(CCCC(=O)[O-])C(=O)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000420565759 484869822 /nfs/dbraw/zinc/86/98/22/484869822.db2.gz RDFCKNACMFVNIW-UHFFFAOYSA-N -1 0 353.350 -0.005 20 0 FBADRM Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000420566302 484868818 /nfs/dbraw/zinc/86/88/18/484868818.db2.gz SNYNSXGQEYTWLD-LLVKDONJSA-N -1 0 356.400 -0.136 20 0 FBADRM Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000420566304 484869187 /nfs/dbraw/zinc/86/91/87/484869187.db2.gz SNYNSXGQEYTWLD-NSHDSACASA-N -1 0 356.400 -0.136 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)NCCS(=O)(=O)NCC1CCC1)C(=O)[O-] ZINC000420567011 484869197 /nfs/dbraw/zinc/86/91/97/484869197.db2.gz SSBVIISQXBFYLW-JTQLQIEISA-N -1 0 363.436 -0.999 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)NCCS(=O)(=O)NCC1CCC1)C(=O)[O-] ZINC000420567014 484869677 /nfs/dbraw/zinc/86/96/77/484869677.db2.gz SSBVIISQXBFYLW-SNVBAGLBSA-N -1 0 363.436 -0.999 20 0 FBADRM COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)NCCC(=O)[O-])C2)c1 ZINC000420567038 484869291 /nfs/dbraw/zinc/86/92/91/484869291.db2.gz SHOVSQTWZVHBAQ-LLVKDONJSA-N -1 0 365.386 -0.010 20 0 FBADRM COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NCCC(=O)[O-])C2)c1 ZINC000420567039 484869083 /nfs/dbraw/zinc/86/90/83/484869083.db2.gz SHOVSQTWZVHBAQ-NSHDSACASA-N -1 0 365.386 -0.010 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCCCNC(=O)c1cccc(F)c1 ZINC000420567449 484869362 /nfs/dbraw/zinc/86/93/62/484869362.db2.gz UEDFKDGHMWYDSM-UHFFFAOYSA-N -1 0 353.350 -0.005 20 0 FBADRM CS(=O)(=O)CC1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1 ZINC000420567731 484869756 /nfs/dbraw/zinc/86/97/56/484869756.db2.gz WEUXVJGUHRSHBV-MEDUHNTESA-N -1 0 372.443 -0.359 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000420567776 484869560 /nfs/dbraw/zinc/86/95/60/484869560.db2.gz UFIQEZSDSUUSNU-CMPLNLGQSA-N -1 0 363.345 -0.020 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000420567780 484868719 /nfs/dbraw/zinc/86/87/19/484868719.db2.gz UFIQEZSDSUUSNU-JQWIXIFHSA-N -1 0 363.345 -0.020 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000420567783 484869707 /nfs/dbraw/zinc/86/97/07/484869707.db2.gz UFIQEZSDSUUSNU-PWSUYJOCSA-N -1 0 363.345 -0.020 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000420567784 484869248 /nfs/dbraw/zinc/86/92/48/484869248.db2.gz UFIQEZSDSUUSNU-ZYHUDNBSSA-N -1 0 363.345 -0.020 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2OCCO)C1 ZINC000420568040 484869539 /nfs/dbraw/zinc/86/95/39/484869539.db2.gz UWXYEOMFWIRBKH-CYBMUJFWSA-N -1 0 350.371 -0.003 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2OCCO)C1 ZINC000420568041 484869038 /nfs/dbraw/zinc/86/90/38/484869038.db2.gz UWXYEOMFWIRBKH-ZDUSSCGKSA-N -1 0 350.371 -0.003 20 0 FBADRM COc1ccc(-n2cc(CNC(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)nn2)cc1 ZINC000420568199 484869163 /nfs/dbraw/zinc/86/91/63/484869163.db2.gz WMJHQEMSOYTMKZ-LLVKDONJSA-N -1 0 373.369 -0.175 20 0 FBADRM COc1ccc(-n2cc(CNC(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)nn2)cc1 ZINC000420568200 484869760 /nfs/dbraw/zinc/86/97/60/484869760.db2.gz WMJHQEMSOYTMKZ-NSHDSACASA-N -1 0 373.369 -0.175 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N[C@@H]1CC(=O)N3CCCC[C@@H]13)C2 ZINC000420569223 484869143 /nfs/dbraw/zinc/86/91/43/484869143.db2.gz VXJVDWDAMMCOHX-CVXDAYKESA-N -1 0 363.414 -0.031 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N[C@@H]1CC(=O)N3CCCC[C@H]13)C2 ZINC000420569226 484869685 /nfs/dbraw/zinc/86/96/85/484869685.db2.gz VXJVDWDAMMCOHX-NVAPZFDKSA-N -1 0 363.414 -0.031 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N[C@H]1CC(=O)N3CCCC[C@@H]13)C2 ZINC000420569230 484869063 /nfs/dbraw/zinc/86/90/63/484869063.db2.gz VXJVDWDAMMCOHX-PAKFGRKTSA-N -1 0 363.414 -0.031 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N[C@H]1CC(=O)N3CCCC[C@H]13)C2 ZINC000420569235 484869125 /nfs/dbraw/zinc/86/91/25/484869125.db2.gz VXJVDWDAMMCOHX-ZVZLLHMNSA-N -1 0 363.414 -0.031 20 0 FBADRM CCC(=O)N1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1 ZINC000420570784 484869806 /nfs/dbraw/zinc/86/98/06/484869806.db2.gz NUFCVVZWJUSHRO-NVGCLXPQSA-N -1 0 351.403 -0.173 20 0 FBADRM CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1 ZINC000420570785 484869175 /nfs/dbraw/zinc/86/91/75/484869175.db2.gz NUFCVVZWJUSHRO-XWCIJXRUSA-N -1 0 351.403 -0.173 20 0 FBADRM CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)NCCC(=O)[O-] ZINC000420571222 484870749 /nfs/dbraw/zinc/87/07/49/484870749.db2.gz XMNMVDSSTZLMBV-LLVKDONJSA-N -1 0 356.400 -0.054 20 0 FBADRM CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)NCCC(=O)[O-] ZINC000420571223 484870332 /nfs/dbraw/zinc/87/03/32/484870332.db2.gz XMNMVDSSTZLMBV-NSHDSACASA-N -1 0 356.400 -0.054 20 0 FBADRM COc1cc(OC)c(CCNC(=O)C(=O)NCCC(=O)[O-])c(OC)c1 ZINC000420572107 484875280 /nfs/dbraw/zinc/87/52/80/484875280.db2.gz YAGOQYUEAGSNIO-UHFFFAOYSA-N -1 0 354.359 -0.038 20 0 FBADRM CN(CCCC(=O)[O-])C(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000420572743 484876037 /nfs/dbraw/zinc/87/60/37/484876037.db2.gz YLXPZNONXVNRJF-UHFFFAOYSA-N -1 0 363.436 -0.855 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCCNC(=O)c2cccc(F)c2)C1 ZINC000420572916 484875137 /nfs/dbraw/zinc/87/51/37/484875137.db2.gz YZKZARBVLGQLKO-GFCCVEGCSA-N -1 0 365.361 -0.005 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCCNC(=O)c2cccc(F)c2)C1 ZINC000420572923 484875960 /nfs/dbraw/zinc/87/59/60/484875960.db2.gz YZKZARBVLGQLKO-LBPRGKRZSA-N -1 0 365.361 -0.005 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000420573202 484875650 /nfs/dbraw/zinc/87/56/50/484875650.db2.gz ZNOVCFWGXODBMG-JTQLQIEISA-N -1 0 372.374 -0.351 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000420573203 484875902 /nfs/dbraw/zinc/87/59/02/484875902.db2.gz ZNOVCFWGXODBMG-SNVBAGLBSA-N -1 0 372.374 -0.351 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000420573638 484874761 /nfs/dbraw/zinc/87/47/61/484874761.db2.gz ZKNFEMKQFQQKNK-LLVKDONJSA-N -1 0 351.334 -0.020 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000420573640 484875713 /nfs/dbraw/zinc/87/57/13/484875713.db2.gz ZKNFEMKQFQQKNK-NSHDSACASA-N -1 0 351.334 -0.020 20 0 FBADRM Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000420573805 484875018 /nfs/dbraw/zinc/87/50/18/484875018.db2.gz PZTQIXOSENXCPM-PXAZEXFGSA-N -1 0 363.418 -0.172 20 0 FBADRM Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000420573807 484875729 /nfs/dbraw/zinc/87/57/29/484875729.db2.gz PZTQIXOSENXCPM-SJCJKPOMSA-N -1 0 363.418 -0.172 20 0 FBADRM Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000420573808 484876025 /nfs/dbraw/zinc/87/60/25/484876025.db2.gz PZTQIXOSENXCPM-SJKOYZFVSA-N -1 0 363.418 -0.172 20 0 FBADRM Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000420573809 484875786 /nfs/dbraw/zinc/87/57/86/484875786.db2.gz PZTQIXOSENXCPM-YVEFUNNKSA-N -1 0 363.418 -0.172 20 0 FBADRM Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000420573875 484875007 /nfs/dbraw/zinc/87/50/07/484875007.db2.gz QEKMQQFNPGCQMB-CHWSQXEVSA-N -1 0 363.418 -0.172 20 0 FBADRM Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000420573993 484875536 /nfs/dbraw/zinc/87/55/36/484875536.db2.gz QEKMQQFNPGCQMB-OLZOCXBDSA-N -1 0 363.418 -0.172 20 0 FBADRM Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000420573994 484876053 /nfs/dbraw/zinc/87/60/53/484876053.db2.gz QEKMQQFNPGCQMB-QWHCGFSZSA-N -1 0 363.418 -0.172 20 0 FBADRM Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000420573995 484875444 /nfs/dbraw/zinc/87/54/44/484875444.db2.gz QEKMQQFNPGCQMB-STQMWFEESA-N -1 0 363.418 -0.172 20 0 FBADRM CC[C@@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000420574806 484875852 /nfs/dbraw/zinc/87/58/52/484875852.db2.gz VNNWIIPVDZRLNW-BDJLRTHQSA-N -1 0 355.391 -0.937 20 0 FBADRM CC[C@@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000420574807 484874966 /nfs/dbraw/zinc/87/49/66/484874966.db2.gz VNNWIIPVDZRLNW-BZNIZROVSA-N -1 0 355.391 -0.937 20 0 FBADRM CC[C@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000420574808 484875641 /nfs/dbraw/zinc/87/56/41/484875641.db2.gz VNNWIIPVDZRLNW-MEDUHNTESA-N -1 0 355.391 -0.937 20 0 FBADRM CC[C@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000420574809 484875841 /nfs/dbraw/zinc/87/58/41/484875841.db2.gz VNNWIIPVDZRLNW-ZBEGNZNMSA-N -1 0 355.391 -0.937 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccnn3C)C2)C[C@H]1C(=O)[O-] ZINC000420575309 484875963 /nfs/dbraw/zinc/87/59/63/484875963.db2.gz YMUAASAOUWWLHN-FRRDWIJNSA-N -1 0 363.418 -0.316 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)C[C@H]1C(=O)[O-] ZINC000420575310 484876028 /nfs/dbraw/zinc/87/60/28/484876028.db2.gz YMUAASAOUWWLHN-JHJVBQTASA-N -1 0 363.418 -0.316 20 0 FBADRM CS(=O)(=O)C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CCC1 ZINC000420575823 484875823 /nfs/dbraw/zinc/87/58/23/484875823.db2.gz BDYYSIGIMVEQBM-MEDUHNTESA-N -1 0 372.443 -0.217 20 0 FBADRM CC1(C)NC(=O)CC[C@@H]1NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000420577200 484872131 /nfs/dbraw/zinc/87/21/31/484872131.db2.gz FPHPKUDMHOTGJP-PSVSLLHZSA-N -1 0 351.403 -0.127 20 0 FBADRM CC1(C)NC(=O)CC[C@H]1NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000420577201 484872336 /nfs/dbraw/zinc/87/23/36/484872336.db2.gz FPHPKUDMHOTGJP-WVQJBOLRSA-N -1 0 351.403 -0.127 20 0 FBADRM Cc1cc(N2CCC[C@H](NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C2)n(C)n1 ZINC000420577973 484871615 /nfs/dbraw/zinc/87/16/15/484871615.db2.gz HGTQCQUTHRAACW-AAEUAGOBSA-N -1 0 365.434 -0.007 20 0 FBADRM Cc1cc(N2CCC[C@@H](NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C2)n(C)n1 ZINC000420577974 484871691 /nfs/dbraw/zinc/87/16/91/484871691.db2.gz HGTQCQUTHRAACW-DGCLKSJQSA-N -1 0 365.434 -0.007 20 0 FBADRM Cc1cc(N2CCC[C@@H](NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C2)n(C)n1 ZINC000420577975 484872168 /nfs/dbraw/zinc/87/21/68/484872168.db2.gz HGTQCQUTHRAACW-WCQYABFASA-N -1 0 365.434 -0.007 20 0 FBADRM Cc1cc(N2CCC[C@H](NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C2)n(C)n1 ZINC000420577976 484871489 /nfs/dbraw/zinc/87/14/89/484871489.db2.gz HGTQCQUTHRAACW-YPMHNXCESA-N -1 0 365.434 -0.007 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)CCO1 ZINC000420578055 484871555 /nfs/dbraw/zinc/87/15/55/484871555.db2.gz CGXBEIKFFGTMQN-CYBMUJFWSA-N -1 0 364.354 -0.209 20 0 FBADRM COC(=O)C[C@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)CCO1 ZINC000420578056 484871602 /nfs/dbraw/zinc/87/16/02/484871602.db2.gz CGXBEIKFFGTMQN-ZDUSSCGKSA-N -1 0 364.354 -0.209 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)CCO1 ZINC000420578090 484872390 /nfs/dbraw/zinc/87/23/90/484872390.db2.gz CIIFKBIUGXBLFI-GFCCVEGCSA-N -1 0 350.327 -0.599 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)CCO1 ZINC000420578091 484872743 /nfs/dbraw/zinc/87/27/43/484872743.db2.gz CIIFKBIUGXBLFI-LBPRGKRZSA-N -1 0 350.327 -0.599 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000420580358 484872703 /nfs/dbraw/zinc/87/27/03/484872703.db2.gz GSWONFYDJFZSOM-ZWNOBZJWSA-N -1 0 364.354 -0.210 20 0 FBADRM COCC(=O)N1CCN(C(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000420580435 484871678 /nfs/dbraw/zinc/87/16/78/484871678.db2.gz GZOTZAAXVZQMRQ-UHFFFAOYSA-N -1 0 363.370 -0.682 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)NCCN1CCc2ccccc2C1=O)C(=O)[O-] ZINC000420580866 484871622 /nfs/dbraw/zinc/87/16/22/484871622.db2.gz KOCQREIPJYNWFX-GFCCVEGCSA-N -1 0 361.398 -0.020 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)NCCN1CCc2ccccc2C1=O)C(=O)[O-] ZINC000420580868 484871947 /nfs/dbraw/zinc/87/19/47/484871947.db2.gz KOCQREIPJYNWFX-LBPRGKRZSA-N -1 0 361.398 -0.020 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCC(=O)N2Cc3ccccc3C2)C[C@H]1C(=O)[O-] ZINC000420580992 484871608 /nfs/dbraw/zinc/87/16/08/484871608.db2.gz KWPWYCUZNSTTEZ-BXUZGUMPSA-N -1 0 359.382 -0.176 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCN2CCc3ccccc3C2=O)C1 ZINC000420581649 484872316 /nfs/dbraw/zinc/87/23/16/484872316.db2.gz LNFDHRDANKFXJB-CYBMUJFWSA-N -1 0 359.382 -0.266 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCN2CCc3ccccc3C2=O)C1 ZINC000420581652 484871698 /nfs/dbraw/zinc/87/16/98/484871698.db2.gz LNFDHRDANKFXJB-ZDUSSCGKSA-N -1 0 359.382 -0.266 20 0 FBADRM O=C([O-])CCCCCNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000420583031 484874144 /nfs/dbraw/zinc/87/41/44/484874144.db2.gz XSYJHIQJINXQIR-UHFFFAOYSA-N -1 0 353.297 -0.062 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCCN2CCc3ccccc3C2=O)C[C@H]1C(=O)[O-] ZINC000420583636 484874071 /nfs/dbraw/zinc/87/40/71/484874071.db2.gz NSWUWJASDYAWIA-IUODEOHRSA-N -1 0 373.409 -0.020 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)NCC(=O)N2Cc3ccccc3C2)C1 ZINC000420583637 484873608 /nfs/dbraw/zinc/87/36/08/484873608.db2.gz NSYDFEXUIKVPTJ-AWEZNQCLSA-N -1 0 359.382 -0.032 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)NCC(=O)N2Cc3ccccc3C2)C1 ZINC000420583638 484874194 /nfs/dbraw/zinc/87/41/94/484874194.db2.gz NSYDFEXUIKVPTJ-CQSZACIVSA-N -1 0 359.382 -0.032 20 0 FBADRM CCOc1cc(NC2CCN(C(=O)C(=O)NCCC(=O)[O-])CC2)ncn1 ZINC000420584665 484873670 /nfs/dbraw/zinc/87/36/70/484873670.db2.gz ADDGZLXEGSTIHH-UHFFFAOYSA-N -1 0 365.390 -0.131 20 0 FBADRM COCCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)NCCC(=O)[O-] ZINC000420584711 484874267 /nfs/dbraw/zinc/87/42/67/484874267.db2.gz AFKSDKAQWAFSDC-UHFFFAOYSA-N -1 0 352.343 -0.019 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000420585905 484873758 /nfs/dbraw/zinc/87/37/58/484873758.db2.gz CGBXEHFOODNNBZ-UHFFFAOYSA-N -1 0 369.324 -0.160 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC(=O)N2Cc3ccccc3C2)C1 ZINC000420586342 484873633 /nfs/dbraw/zinc/87/36/33/484873633.db2.gz QWEBZPWGASVYHP-GOSISDBHSA-N -1 0 359.382 -0.032 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC(=O)N2Cc3ccccc3C2)C1 ZINC000420586346 484873214 /nfs/dbraw/zinc/87/32/14/484873214.db2.gz QWEBZPWGASVYHP-SFHVURJKSA-N -1 0 359.382 -0.032 20 0 FBADRM C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)NCCC(=O)[O-] ZINC000420586963 484873627 /nfs/dbraw/zinc/87/36/27/484873627.db2.gz QZPNSYCEBOHGIP-LLVKDONJSA-N -1 0 371.415 -0.549 20 0 FBADRM C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)NCCC(=O)[O-] ZINC000420586964 484873506 /nfs/dbraw/zinc/87/35/06/484873506.db2.gz QZPNSYCEBOHGIP-NSHDSACASA-N -1 0 371.415 -0.549 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000420586988 484874287 /nfs/dbraw/zinc/87/42/87/484874287.db2.gz RCRCEEQFSHAXIN-AWEZNQCLSA-N -1 0 361.398 -0.073 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000420586989 484874208 /nfs/dbraw/zinc/87/42/08/484874208.db2.gz RCRCEEQFSHAXIN-CQSZACIVSA-N -1 0 361.398 -0.073 20 0 FBADRM COc1ccc(N2CCN(C(=O)C(=O)NCCCC(=O)[O-])CC2)nc1 ZINC000420587986 484873580 /nfs/dbraw/zinc/87/35/80/484873580.db2.gz GVRSAFZQFPNEOX-UHFFFAOYSA-N -1 0 350.375 -0.280 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000420588487 484873399 /nfs/dbraw/zinc/87/33/99/484873399.db2.gz QOIGPJGHGQUEDL-UHFFFAOYSA-N -1 0 369.399 -0.895 20 0 FBADRM CCc1nsc(N2CCN(C(=O)C(=O)NCCCC(=O)[O-])CC2)n1 ZINC000420589145 484873514 /nfs/dbraw/zinc/87/35/14/484873514.db2.gz IGYRILGDVRRSEQ-UHFFFAOYSA-N -1 0 355.420 -0.270 20 0 FBADRM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000420589467 484873331 /nfs/dbraw/zinc/87/33/31/484873331.db2.gz INODGDYURFAZNS-NEPJUHHUSA-N -1 0 357.407 -0.643 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000420589469 484873304 /nfs/dbraw/zinc/87/33/04/484873304.db2.gz INODGDYURFAZNS-NWDGAFQWSA-N -1 0 357.407 -0.643 20 0 FBADRM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000420589471 484873307 /nfs/dbraw/zinc/87/33/07/484873307.db2.gz INODGDYURFAZNS-RYUDHWBXSA-N -1 0 357.407 -0.643 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000420589474 484873412 /nfs/dbraw/zinc/87/34/12/484873412.db2.gz INODGDYURFAZNS-VXGBXAGGSA-N -1 0 357.407 -0.643 20 0 FBADRM CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000420589588 484873982 /nfs/dbraw/zinc/87/39/82/484873982.db2.gz IXJZDAQLDATHHU-INIZCTEOSA-N -1 0 358.391 -0.214 20 0 FBADRM CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000420589592 484874178 /nfs/dbraw/zinc/87/41/78/484874178.db2.gz IXJZDAQLDATHHU-MRXNPFEDSA-N -1 0 358.391 -0.214 20 0 FBADRM CCS(=O)(=O)CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000420589620 484874368 /nfs/dbraw/zinc/87/43/68/484874368.db2.gz IYHKLEPTCOTXTP-XHDPSFHLSA-N -1 0 360.432 -0.359 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000420589799 484873286 /nfs/dbraw/zinc/87/32/86/484873286.db2.gz JIIYDXXSIPITHN-UHFFFAOYSA-N -1 0 363.370 -0.342 20 0 FBADRM CC(C)CN1C[C@H]2CN(C(=O)C(=O)NCCCC(=O)[O-])CCN2C1=O ZINC000420590043 484873347 /nfs/dbraw/zinc/87/33/47/484873347.db2.gz JJQGQJMIFVOTFZ-GFCCVEGCSA-N -1 0 354.407 -0.428 20 0 FBADRM CC(C)CN1C[C@@H]2CN(C(=O)C(=O)NCCCC(=O)[O-])CCN2C1=O ZINC000420590046 484873853 /nfs/dbraw/zinc/87/38/53/484873853.db2.gz JJQGQJMIFVOTFZ-LBPRGKRZSA-N -1 0 354.407 -0.428 20 0 FBADRM CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)NCCCC(=O)[O-] ZINC000420591191 484873272 /nfs/dbraw/zinc/87/32/72/484873272.db2.gz LGZDSYCKUHGGQG-UHFFFAOYSA-N -1 0 361.354 -0.278 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)NCc1nnnn1CC1CC1)C2 ZINC000420591586 484874093 /nfs/dbraw/zinc/87/40/93/484874093.db2.gz XJNGKLAVCIWDDI-MEDUHNTESA-N -1 0 362.390 -0.587 20 0 FBADRM COc1cc(N2CCN(C(=O)C(=O)NCCCC(=O)[O-])CC2)ncn1 ZINC000420593591 484873338 /nfs/dbraw/zinc/87/33/38/484873338.db2.gz NYBOZHSAJJCDOX-UHFFFAOYSA-N -1 0 351.363 -0.885 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000420593608 484874183 /nfs/dbraw/zinc/87/41/83/484874183.db2.gz OABGMLRRVYOGMU-UHFFFAOYSA-N -1 0 351.334 -0.018 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000420594502 484873730 /nfs/dbraw/zinc/87/37/30/484873730.db2.gz PYMDHXSSBJFMIT-UHFFFAOYSA-N -1 0 361.420 -0.960 20 0 FBADRM CCOc1cccc(N2CCN(C(=O)C(=O)NCCC(=O)[O-])CC2)n1 ZINC000420594504 484874021 /nfs/dbraw/zinc/87/40/21/484874021.db2.gz CWAPNZQMLYOLHU-UHFFFAOYSA-N -1 0 350.375 -0.280 20 0 FBADRM COCCN1CCN(C(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1=O ZINC000420594584 484874081 /nfs/dbraw/zinc/87/40/81/484874081.db2.gz DCLCPJADIDHFIJ-UHFFFAOYSA-N -1 0 363.370 -0.682 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000420595190 484873438 /nfs/dbraw/zinc/87/34/38/484873438.db2.gz DZHAENAWSOXXCR-UHFFFAOYSA-N -1 0 369.324 -0.160 20 0 FBADRM Cc1ccc(CC(=O)N2CCN(C(=O)C(=O)NCCC(=O)[O-])CC2)cc1 ZINC000420595191 484873310 /nfs/dbraw/zinc/87/33/10/484873310.db2.gz DZODEQJFOZEJHI-UHFFFAOYSA-N -1 0 361.398 -0.201 20 0 FBADRM C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000420595198 658947344 /nfs/dbraw/zinc/94/73/44/658947344.db2.gz FAVGPQHGMHKWKG-BXUZGUMPSA-N -1 0 350.371 -0.001 20 0 FBADRM C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000420595199 484873405 /nfs/dbraw/zinc/87/34/05/484873405.db2.gz FAVGPQHGMHKWKG-FZMZJTMJSA-N -1 0 350.371 -0.001 20 0 FBADRM C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000420595200 484873256 /nfs/dbraw/zinc/87/32/56/484873256.db2.gz FAVGPQHGMHKWKG-RISCZKNCSA-N -1 0 350.371 -0.001 20 0 FBADRM C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000420595201 484873641 /nfs/dbraw/zinc/87/36/41/484873641.db2.gz FAVGPQHGMHKWKG-SMDDNHRTSA-N -1 0 350.371 -0.001 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000420596009 484873418 /nfs/dbraw/zinc/87/34/18/484873418.db2.gz GIUFJJKWGPDVFH-UHFFFAOYSA-N -1 0 369.324 -0.160 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000420596615 484874374 /nfs/dbraw/zinc/87/43/74/484874374.db2.gz HUMWPFBBCHQRFP-UHFFFAOYSA-N -1 0 365.361 -0.370 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000420596656 484874436 /nfs/dbraw/zinc/87/44/36/484874436.db2.gz ICWHHBMFNNRJPP-UHFFFAOYSA-N -1 0 351.334 -0.413 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000420596926 484874293 /nfs/dbraw/zinc/87/42/93/484874293.db2.gz IHEYARXCLQZZGE-UHFFFAOYSA-N -1 0 371.415 -0.677 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000420597314 484873341 /nfs/dbraw/zinc/87/33/41/484873341.db2.gz VMHDFGYPDXIPJP-UHFFFAOYSA-N -1 0 361.398 -0.119 20 0 FBADRM COc1ccnc(N2CCN(C(=O)C(=O)NCCCC(=O)[O-])CC2)n1 ZINC000420597832 484874133 /nfs/dbraw/zinc/87/41/33/484874133.db2.gz VVOYBSRSQHENDI-UHFFFAOYSA-N -1 0 351.363 -0.885 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)N2CC(F)C2)C1=O ZINC000420599252 484873972 /nfs/dbraw/zinc/87/39/72/484873972.db2.gz MJHGPXIVVIJRMU-CHWSQXEVSA-N -1 0 363.345 -0.290 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)N2CC(F)C2)C1=O ZINC000420599256 484874013 /nfs/dbraw/zinc/87/40/13/484874013.db2.gz MJHGPXIVVIJRMU-OLZOCXBDSA-N -1 0 363.345 -0.290 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)N2CC(F)C2)C1=O ZINC000420599259 484873744 /nfs/dbraw/zinc/87/37/44/484873744.db2.gz MJHGPXIVVIJRMU-QWHCGFSZSA-N -1 0 363.345 -0.290 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)N2CC(F)C2)C1=O ZINC000420599263 484874153 /nfs/dbraw/zinc/87/41/53/484874153.db2.gz MJHGPXIVVIJRMU-STQMWFEESA-N -1 0 363.345 -0.290 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000420599591 484873802 /nfs/dbraw/zinc/87/38/02/484873802.db2.gz YPXWQLNXEOWEMH-UHFFFAOYSA-N -1 0 365.361 -0.023 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000420599644 484874004 /nfs/dbraw/zinc/87/40/04/484874004.db2.gz YWSNNLLWVFKYKM-GWCFXTLKSA-N -1 0 363.345 -0.020 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000420599646 484873352 /nfs/dbraw/zinc/87/33/52/484873352.db2.gz YWSNNLLWVFKYKM-GXFFZTMASA-N -1 0 363.345 -0.020 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000420599648 484873868 /nfs/dbraw/zinc/87/38/68/484873868.db2.gz YWSNNLLWVFKYKM-MFKMUULPSA-N -1 0 363.345 -0.020 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000420599650 484873679 /nfs/dbraw/zinc/87/36/79/484873679.db2.gz YWSNNLLWVFKYKM-ZWNOBZJWSA-N -1 0 363.345 -0.020 20 0 FBADRM Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NCCC(=O)[O-])CC2)s1 ZINC000420599655 484873333 /nfs/dbraw/zinc/87/33/33/484873333.db2.gz MSFLCHYPFBOSCN-UHFFFAOYSA-N -1 0 353.400 -0.068 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000420599686 484873860 /nfs/dbraw/zinc/87/38/60/484873860.db2.gz ZAAYVEBRSITLIT-GFCCVEGCSA-N -1 0 351.334 -0.020 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000420599688 484873910 /nfs/dbraw/zinc/87/39/10/484873910.db2.gz ZAAYVEBRSITLIT-LBPRGKRZSA-N -1 0 351.334 -0.020 20 0 FBADRM CN(C(=O)C(=O)NCCC(=O)[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000420600299 484873300 /nfs/dbraw/zinc/87/33/00/484873300.db2.gz NFONAHYBENZFTE-GFCCVEGCSA-N -1 0 351.334 -0.020 20 0 FBADRM CN(C(=O)C(=O)NCCC(=O)[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000420600302 484874277 /nfs/dbraw/zinc/87/42/77/484874277.db2.gz NFONAHYBENZFTE-LBPRGKRZSA-N -1 0 351.334 -0.020 20 0 FBADRM COc1ccc(C(=O)N2CCN(C(=O)C(=O)NCCC(=O)[O-])CC2)cc1 ZINC000420600885 484873370 /nfs/dbraw/zinc/87/33/70/484873370.db2.gz OEIOPQOKTHHMBA-UHFFFAOYSA-N -1 0 363.370 -0.430 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N1CCN(c2ncnc3ccsc32)CC1 ZINC000420601069 484875860 /nfs/dbraw/zinc/87/58/60/484875860.db2.gz PJCRJMFQKKAVEV-UHFFFAOYSA-N -1 0 363.399 -0.069 20 0 FBADRM CCOc1ccnc(N2CCCN(C(=O)C(=O)NCCC(=O)[O-])CC2)n1 ZINC000420601406 484875848 /nfs/dbraw/zinc/87/58/48/484875848.db2.gz PXGIYRTWASODBO-UHFFFAOYSA-N -1 0 365.390 -0.495 20 0 FBADRM COc1cccc(C(=O)N2CCN(C(=O)C(=O)NCCC(=O)[O-])CC2)c1 ZINC000420601700 484874870 /nfs/dbraw/zinc/87/48/70/484874870.db2.gz QQUUBXXYTWBNSV-UHFFFAOYSA-N -1 0 363.370 -0.430 20 0 FBADRM Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)NCCC(=O)[O-])CC1 ZINC000420601720 484875341 /nfs/dbraw/zinc/87/53/41/484875341.db2.gz QTMBLOYBHNXYOU-UHFFFAOYSA-N -1 0 361.398 -0.201 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)C(=O)NCCC(=O)[O-])Cc2ccccc21 ZINC000420601747 484875235 /nfs/dbraw/zinc/87/52/35/484875235.db2.gz QXYPZCAVHOLGJV-UHFFFAOYSA-N -1 0 369.399 -0.614 20 0 FBADRM Cc1cc(C(=O)N2CCN(C(=O)C(=O)NCCC(=O)[O-])CC2)c(C)o1 ZINC000420602158 484875908 /nfs/dbraw/zinc/87/59/08/484875908.db2.gz RVZQQZYOKNCQJW-UHFFFAOYSA-N -1 0 351.359 -0.228 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000420603466 484876062 /nfs/dbraw/zinc/87/60/62/484876062.db2.gz VLCCPBLMFRCMTL-UHFFFAOYSA-N -1 0 369.399 -0.890 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000420603777 484875030 /nfs/dbraw/zinc/87/50/30/484875030.db2.gz VWPFNGONAGNJSJ-UHFFFAOYSA-N -1 0 351.334 -0.299 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000420604230 484875905 /nfs/dbraw/zinc/87/59/05/484875905.db2.gz XJBBHPIDFPHQNQ-UHFFFAOYSA-N -1 0 351.334 -0.299 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N1CCN(c2ncnc3sccc32)CC1 ZINC000420604618 484874815 /nfs/dbraw/zinc/87/48/15/484874815.db2.gz YYBYLLUDOINGPY-UHFFFAOYSA-N -1 0 363.399 -0.069 20 0 FBADRM COC(=O)c1ccc(N2CCN(C(=O)C(=O)NCCC(=O)[O-])CC2)s1 ZINC000420604918 484875719 /nfs/dbraw/zinc/87/57/19/484875719.db2.gz ZMRZDABHWOMRCE-UHFFFAOYSA-N -1 0 369.399 -0.226 20 0 FBADRM C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000421808529 484973476 /nfs/dbraw/zinc/97/34/76/484973476.db2.gz RXKSXBCCFAZVSY-GRYCIOLGSA-N -1 0 365.452 -0.358 20 0 FBADRM C[C@H](O[C@@H](C)C(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000421808530 484972607 /nfs/dbraw/zinc/97/26/07/484972607.db2.gz RXKSXBCCFAZVSY-SDDRHHMPSA-N -1 0 365.452 -0.358 20 0 FBADRM C[C@H](O[C@@H](C)C(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000421808531 484972774 /nfs/dbraw/zinc/97/27/74/484972774.db2.gz RXKSXBCCFAZVSY-SRVKXCTJSA-N -1 0 365.452 -0.358 20 0 FBADRM C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000421808532 484973134 /nfs/dbraw/zinc/97/31/34/484973134.db2.gz RXKSXBCCFAZVSY-WOPDTQHZSA-N -1 0 365.452 -0.358 20 0 FBADRM CNC(=O)[C@@H]1CCN(S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)C1 ZINC000421812399 484972829 /nfs/dbraw/zinc/97/28/29/484972829.db2.gz CFASUTVQAYHHRU-SECBINFHSA-N -1 0 370.383 -0.087 20 0 FBADRM CNC(=O)[C@H]1CCN(S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)C1 ZINC000421812400 484973371 /nfs/dbraw/zinc/97/33/71/484973371.db2.gz CFASUTVQAYHHRU-VIFPVBQESA-N -1 0 370.383 -0.087 20 0 FBADRM COC(=O)Cc1[n-][nH]c(=O)c1C(=O)Nc1cc(-n2cnnn2)ccc1C ZINC000421815899 484974644 /nfs/dbraw/zinc/97/46/44/484974644.db2.gz VVBOXUVKMIJNBE-CYBMUJFWSA-N -1 0 357.330 -0.426 20 0 FBADRM COC(=O)Cc1[n-][nH]c(=O)c1C(=O)Nc1cc(-n2cnnn2)ccc1C ZINC000421815900 484975092 /nfs/dbraw/zinc/97/50/92/484975092.db2.gz VVBOXUVKMIJNBE-ZDUSSCGKSA-N -1 0 357.330 -0.426 20 0 FBADRM CNC(=O)[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000421943373 484980420 /nfs/dbraw/zinc/98/04/20/484980420.db2.gz DBQFFCYDPHMYEB-SECBINFHSA-N -1 0 361.370 -0.162 20 0 FBADRM CNC(=O)[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000421943379 484981612 /nfs/dbraw/zinc/98/16/12/484981612.db2.gz DBQFFCYDPHMYEB-VIFPVBQESA-N -1 0 361.370 -0.162 20 0 FBADRM CC(=O)N[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000421949349 484981116 /nfs/dbraw/zinc/98/11/16/484981116.db2.gz MIUOZCVWBFJKNG-JTQLQIEISA-N -1 0 361.370 -0.020 20 0 FBADRM CC(=O)N[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000421949350 484980662 /nfs/dbraw/zinc/98/06/62/484980662.db2.gz MIUOZCVWBFJKNG-SNVBAGLBSA-N -1 0 361.370 -0.020 20 0 FBADRM COC(=O)[C@@H](CNC(=O)Cn1ncn(C)c1=O)Cc1ccc(O)c(F)c1 ZINC000422049504 484984113 /nfs/dbraw/zinc/98/41/13/484984113.db2.gz XARASUGWMUDXNJ-LLVKDONJSA-N -1 0 366.349 -0.425 20 0 FBADRM COC(=O)[C@H](CNC(=O)Cn1ncn(C)c1=O)Cc1ccc(O)c(F)c1 ZINC000422049519 484984767 /nfs/dbraw/zinc/98/47/67/484984767.db2.gz XARASUGWMUDXNJ-NSHDSACASA-N -1 0 366.349 -0.425 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000422555101 485035312 /nfs/dbraw/zinc/03/53/12/485035312.db2.gz OHIAUXPIFJXYMO-UHFFFAOYSA-N -1 0 355.372 -0.573 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC000422556685 485035382 /nfs/dbraw/zinc/03/53/82/485035382.db2.gz UHRCDVSFNKCCGH-UHFFFAOYSA-N -1 0 373.362 -0.434 20 0 FBADRM COCC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC000422558968 485034978 /nfs/dbraw/zinc/03/49/78/485034978.db2.gz BOUCNTIXAGKWCI-UHFFFAOYSA-N -1 0 367.333 -0.220 20 0 FBADRM CCc1c(C(=O)N(C)C[C@@H](C)C(=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000422572814 485034829 /nfs/dbraw/zinc/03/48/29/485034829.db2.gz NKNULTTZAVWYNW-SECBINFHSA-N -1 0 362.386 -0.013 20 0 FBADRM CCc1c(C(=O)N(C)C[C@H](C)C(=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000422572817 485035185 /nfs/dbraw/zinc/03/51/85/485035185.db2.gz NKNULTTZAVWYNW-VIFPVBQESA-N -1 0 362.386 -0.013 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000422573576 485034892 /nfs/dbraw/zinc/03/48/92/485034892.db2.gz ROKITPOVQFATRW-UHFFFAOYSA-N -1 0 369.399 -0.183 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC[C@@H](C(=O)[O-])[C@H]2C)cn1C ZINC000422579112 485034930 /nfs/dbraw/zinc/03/49/30/485034930.db2.gz GSRCWFADOGQCOV-MWLCHTKSSA-N -1 0 358.420 -0.281 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cn1C ZINC000422580019 485034919 /nfs/dbraw/zinc/03/49/19/485034919.db2.gz JDWOMILWGQRLLN-GXSJLCMTSA-N -1 0 358.420 -0.281 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cn1C ZINC000422580020 485034809 /nfs/dbraw/zinc/03/48/09/485034809.db2.gz JDWOMILWGQRLLN-KOLCDFICSA-N -1 0 358.420 -0.281 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cn1C ZINC000422580021 485035152 /nfs/dbraw/zinc/03/51/52/485035152.db2.gz JDWOMILWGQRLLN-MWLCHTKSSA-N -1 0 358.420 -0.281 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)cn1C ZINC000422580022 485034690 /nfs/dbraw/zinc/03/46/90/485034690.db2.gz JDWOMILWGQRLLN-ONGXEEELSA-N -1 0 358.420 -0.281 20 0 FBADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000422580097 485034966 /nfs/dbraw/zinc/03/49/66/485034966.db2.gz JKDHOVZRWGNTAS-GHMZBOCLSA-N -1 0 362.386 -0.250 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000422580098 485035051 /nfs/dbraw/zinc/03/50/51/485035051.db2.gz JKDHOVZRWGNTAS-MNOVXSKESA-N -1 0 362.386 -0.250 20 0 FBADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000422580099 485035090 /nfs/dbraw/zinc/03/50/90/485035090.db2.gz JKDHOVZRWGNTAS-QWRGUYRKSA-N -1 0 362.386 -0.250 20 0 FBADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000422580100 485035273 /nfs/dbraw/zinc/03/52/73/485035273.db2.gz JKDHOVZRWGNTAS-WDEREUQCSA-N -1 0 362.386 -0.250 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CCO1 ZINC000422580290 485035428 /nfs/dbraw/zinc/03/54/28/485035428.db2.gz KHPZJYBMEADPKK-LLVKDONJSA-N -1 0 354.290 -0.137 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CCO1 ZINC000422580291 485034974 /nfs/dbraw/zinc/03/49/74/485034974.db2.gz KHPZJYBMEADPKK-NSHDSACASA-N -1 0 354.290 -0.137 20 0 FBADRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000422584422 485036065 /nfs/dbraw/zinc/03/60/65/485036065.db2.gz ZQLSWCNPVXSLLH-GHMZBOCLSA-N -1 0 362.386 -0.250 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)C1 ZINC000422590451 485036446 /nfs/dbraw/zinc/03/64/46/485036446.db2.gz NHHDGPXMQPXMQP-GHMZBOCLSA-N -1 0 362.386 -0.392 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)C1 ZINC000422590452 485036077 /nfs/dbraw/zinc/03/60/77/485036077.db2.gz NHHDGPXMQPXMQP-MNOVXSKESA-N -1 0 362.386 -0.392 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)C1 ZINC000422590453 485036701 /nfs/dbraw/zinc/03/67/01/485036701.db2.gz NHHDGPXMQPXMQP-QWRGUYRKSA-N -1 0 362.386 -0.392 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)C1 ZINC000422590454 485036296 /nfs/dbraw/zinc/03/62/96/485036296.db2.gz NHHDGPXMQPXMQP-WDEREUQCSA-N -1 0 362.386 -0.392 20 0 FBADRM COC(=O)CCN1CC[C@H](NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)C1=O ZINC000422594547 485036434 /nfs/dbraw/zinc/03/64/34/485036434.db2.gz WLFJNWAJFFWLNK-SRVKXCTJSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)CCN1CC[C@H](NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)C1=O ZINC000422594548 485036811 /nfs/dbraw/zinc/03/68/11/485036811.db2.gz WLFJNWAJFFWLNK-TUAOUCFPSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)CCN1CC[C@H](NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)C1=O ZINC000422594549 485036441 /nfs/dbraw/zinc/03/64/41/485036441.db2.gz WLFJNWAJFFWLNK-UTUOFQBUSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)CCN1CC[C@H](NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)C1=O ZINC000422594550 485036355 /nfs/dbraw/zinc/03/63/55/485036355.db2.gz WLFJNWAJFFWLNK-WOPDTQHZSA-N -1 0 355.391 -0.097 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cn1C ZINC000422600106 485037323 /nfs/dbraw/zinc/03/73/23/485037323.db2.gz ZQTFXUCVHQLCQD-GXSJLCMTSA-N -1 0 358.420 -0.424 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cn1C ZINC000422600107 485038097 /nfs/dbraw/zinc/03/80/97/485038097.db2.gz ZQTFXUCVHQLCQD-KOLCDFICSA-N -1 0 358.420 -0.424 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cn1C ZINC000422600108 485037994 /nfs/dbraw/zinc/03/79/94/485037994.db2.gz ZQTFXUCVHQLCQD-MWLCHTKSSA-N -1 0 358.420 -0.424 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cn1C ZINC000422600109 485037675 /nfs/dbraw/zinc/03/76/75/485037675.db2.gz ZQTFXUCVHQLCQD-ONGXEEELSA-N -1 0 358.420 -0.424 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000422602824 485037981 /nfs/dbraw/zinc/03/79/81/485037981.db2.gz IKNOLGRJHMYYAJ-JTQLQIEISA-N -1 0 369.399 -0.137 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000422602825 485038161 /nfs/dbraw/zinc/03/81/61/485038161.db2.gz IKNOLGRJHMYYAJ-SNVBAGLBSA-N -1 0 369.399 -0.137 20 0 FBADRM CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccccc2CC(=O)[O-])C1=O ZINC000422609295 485038381 /nfs/dbraw/zinc/03/83/81/485038381.db2.gz NYIOEMBDMHGFIL-GFCCVEGCSA-N -1 0 361.354 -0.096 20 0 FBADRM CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2ccccc2CC(=O)[O-])C1=O ZINC000422609296 485037660 /nfs/dbraw/zinc/03/76/60/485037660.db2.gz NYIOEMBDMHGFIL-LBPRGKRZSA-N -1 0 361.354 -0.096 20 0 FBADRM COCCN1CCN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CC1=O ZINC000422616666 485039727 /nfs/dbraw/zinc/03/97/27/485039727.db2.gz MUMALHHEBRYMIH-UHFFFAOYSA-N -1 0 363.370 -0.431 20 0 FBADRM COCCN1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1=O ZINC000422618965 485039032 /nfs/dbraw/zinc/03/90/32/485039032.db2.gz RZTNWQMDLMHIQE-UHFFFAOYSA-N -1 0 367.333 -0.220 20 0 FBADRM C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC000422619044 485039739 /nfs/dbraw/zinc/03/97/39/485039739.db2.gz SEZXKYSDQVACIL-SECBINFHSA-N -1 0 367.333 -0.486 20 0 FBADRM C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC000422619046 485039575 /nfs/dbraw/zinc/03/95/75/485039575.db2.gz SEZXKYSDQVACIL-VIFPVBQESA-N -1 0 367.333 -0.486 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)c(F)c1 ZINC000422619919 485039097 /nfs/dbraw/zinc/03/90/97/485039097.db2.gz VERGTYKZOZHFEU-UHFFFAOYSA-N -1 0 353.306 -0.875 20 0 FBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000422624073 485040151 /nfs/dbraw/zinc/04/01/51/485040151.db2.gz ASCUZJRWTBXIIQ-JTQLQIEISA-N -1 0 369.399 -0.137 20 0 FBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000422624074 485039983 /nfs/dbraw/zinc/03/99/83/485039983.db2.gz ASCUZJRWTBXIIQ-SNVBAGLBSA-N -1 0 369.399 -0.137 20 0 FBADRM CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000422625935 485039327 /nfs/dbraw/zinc/03/93/27/485039327.db2.gz IHLURSMPRNYGSE-UHFFFAOYSA-N -1 0 367.333 -0.222 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CCN1S(C)(=O)=O ZINC000422627506 485039148 /nfs/dbraw/zinc/03/91/48/485039148.db2.gz OZAVOXSTWPPTCY-JTQLQIEISA-N -1 0 369.399 -0.184 20 0 FBADRM CNC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000422629182 485039432 /nfs/dbraw/zinc/03/94/32/485039432.db2.gz DXWLMMGGRPQPDW-SECBINFHSA-N -1 0 352.322 -0.008 20 0 FBADRM CNC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000422629183 485039446 /nfs/dbraw/zinc/03/94/46/485039446.db2.gz DXWLMMGGRPQPDW-VIFPVBQESA-N -1 0 352.322 -0.008 20 0 FBADRM COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000422637164 485040259 /nfs/dbraw/zinc/04/02/59/485040259.db2.gz QLFOXJLFDVZEBR-NEPJUHHUSA-N -1 0 350.327 -0.152 20 0 FBADRM COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000422637171 485040288 /nfs/dbraw/zinc/04/02/88/485040288.db2.gz QLFOXJLFDVZEBR-NWDGAFQWSA-N -1 0 350.327 -0.152 20 0 FBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000422637172 485039066 /nfs/dbraw/zinc/03/90/66/485039066.db2.gz QLFOXJLFDVZEBR-RYUDHWBXSA-N -1 0 350.327 -0.152 20 0 FBADRM COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000422637173 485040045 /nfs/dbraw/zinc/04/00/45/485040045.db2.gz QLFOXJLFDVZEBR-VXGBXAGGSA-N -1 0 350.327 -0.152 20 0 FBADRM COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000422639929 485041605 /nfs/dbraw/zinc/04/16/05/485041605.db2.gz YINMOGDZXIWIEU-NEPJUHHUSA-N -1 0 368.317 -0.013 20 0 FBADRM COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000422639930 485041152 /nfs/dbraw/zinc/04/11/52/485041152.db2.gz YINMOGDZXIWIEU-NWDGAFQWSA-N -1 0 368.317 -0.013 20 0 FBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000422639931 485041638 /nfs/dbraw/zinc/04/16/38/485041638.db2.gz YINMOGDZXIWIEU-RYUDHWBXSA-N -1 0 368.317 -0.013 20 0 FBADRM COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000422639932 485040761 /nfs/dbraw/zinc/04/07/61/485040761.db2.gz YINMOGDZXIWIEU-VXGBXAGGSA-N -1 0 368.317 -0.013 20 0 FBADRM COCCN1CN(C(=O)C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1=O ZINC000422640648 485041593 /nfs/dbraw/zinc/04/15/93/485041593.db2.gz BJQDQVROCKYCFR-UHFFFAOYSA-N -1 0 363.370 -0.083 20 0 FBADRM O=C([O-])c1ccc(Br)c(NC(=O)C(=O)N[C@@H]2COC[C@H]2O)c1 ZINC000422643637 485041678 /nfs/dbraw/zinc/04/16/78/485041678.db2.gz JZPIIIZWLUMLRI-NXEZZACHSA-N -1 0 373.159 -0.038 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000422646680 485041660 /nfs/dbraw/zinc/04/16/60/485041660.db2.gz TZBWTTYRLDIVMB-UHFFFAOYSA-N -1 0 372.403 -0.728 20 0 FBADRM O=C([O-])c1ccc(Br)c(NC(=O)C(=O)N2C[C@@H](O)[C@@H](O)C2)c1 ZINC000422646781 485041564 /nfs/dbraw/zinc/04/15/64/485041564.db2.gz UUGBSGLRBLDBPN-AOOOYVTPSA-N -1 0 373.159 -0.350 20 0 FBADRM O=C([O-])c1ccc(Br)c(NC(=O)C(=O)N2C[C@@H](O)[C@H](O)C2)c1 ZINC000422646782 485041039 /nfs/dbraw/zinc/04/10/39/485041039.db2.gz UUGBSGLRBLDBPN-NXEZZACHSA-N -1 0 373.159 -0.350 20 0 FBADRM O=C([O-])c1ccc(Br)c(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)c1 ZINC000422646783 485040744 /nfs/dbraw/zinc/04/07/44/485040744.db2.gz UUGBSGLRBLDBPN-UWVGGRQHSA-N -1 0 373.159 -0.350 20 0 FBADRM COCCN1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1=O ZINC000422647111 485040787 /nfs/dbraw/zinc/04/07/87/485040787.db2.gz WVKKQTASIFOBRN-UHFFFAOYSA-N -1 0 353.306 -0.263 20 0 FBADRM CCCNC(=O)[C@H]1CN(C(=O)C(=O)NCCC(=O)[O-])c2ccccc2O1 ZINC000422652360 485041417 /nfs/dbraw/zinc/04/14/17/485041417.db2.gz UVCAUPVESQSOKG-CYBMUJFWSA-N -1 0 363.370 -0.102 20 0 FBADRM CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCCC(=O)[O-])c2ccccc2O1 ZINC000422652361 485041644 /nfs/dbraw/zinc/04/16/44/485041644.db2.gz UVCAUPVESQSOKG-ZDUSSCGKSA-N -1 0 363.370 -0.102 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000422656619 484411570 /nfs/dbraw/zinc/41/15/70/484411570.db2.gz DZBHDTUFWSGLPL-JTQLQIEISA-N -1 0 354.363 0.151 20 0 FBADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000422657526 485041616 /nfs/dbraw/zinc/04/16/16/485041616.db2.gz ATDAZYZQMWVVFL-GFCCVEGCSA-N -1 0 369.399 -0.083 20 0 FBADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000422657536 485041487 /nfs/dbraw/zinc/04/14/87/485041487.db2.gz ATDAZYZQMWVVFL-LBPRGKRZSA-N -1 0 369.399 -0.083 20 0 FBADRM CC(C)[C@H](NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)C(=O)[O-] ZINC000422658832 485041248 /nfs/dbraw/zinc/04/12/48/485041248.db2.gz VISAJDWZOXYMMN-LBPRGKRZSA-N -1 0 361.358 -0.265 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c1C ZINC000422659802 485041262 /nfs/dbraw/zinc/04/12/62/485041262.db2.gz JDXHUZMCWNMFBB-LLVKDONJSA-N -1 0 369.399 -0.083 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c1C ZINC000422659803 485041299 /nfs/dbraw/zinc/04/12/99/485041299.db2.gz JDXHUZMCWNMFBB-NSHDSACASA-N -1 0 369.399 -0.083 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])ccc1F ZINC000422660514 485041230 /nfs/dbraw/zinc/04/12/30/485041230.db2.gz KFCBWOYZIJXANU-JTQLQIEISA-N -1 0 373.362 -0.252 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])ccc1F ZINC000422660515 485041688 /nfs/dbraw/zinc/04/16/88/485041688.db2.gz KFCBWOYZIJXANU-SNVBAGLBSA-N -1 0 373.362 -0.252 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000422660641 484413055 /nfs/dbraw/zinc/41/30/55/484413055.db2.gz DZBHDTUFWSGLPL-SNVBAGLBSA-N -1 0 354.363 0.151 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c2ccccc2O1 ZINC000422660884 485041496 /nfs/dbraw/zinc/04/14/96/485041496.db2.gz KXZOSMQKOJXOGQ-AAEUAGOBSA-N -1 0 361.354 -0.398 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c2ccccc2O1 ZINC000422660887 485041755 /nfs/dbraw/zinc/04/17/55/485041755.db2.gz KXZOSMQKOJXOGQ-DGCLKSJQSA-N -1 0 361.354 -0.398 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c2ccccc2O1 ZINC000422660889 485041783 /nfs/dbraw/zinc/04/17/83/485041783.db2.gz KXZOSMQKOJXOGQ-WCQYABFASA-N -1 0 361.354 -0.398 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c2ccccc2O1 ZINC000422660891 485041795 /nfs/dbraw/zinc/04/17/95/485041795.db2.gz KXZOSMQKOJXOGQ-YPMHNXCESA-N -1 0 361.354 -0.398 20 0 FBADRM CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)C(=O)[O-] ZINC000422663329 485041632 /nfs/dbraw/zinc/04/16/32/485041632.db2.gz VISAJDWZOXYMMN-GFCCVEGCSA-N -1 0 361.358 -0.265 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])ccc1C ZINC000422665531 485040931 /nfs/dbraw/zinc/04/09/31/485040931.db2.gz YCWKLLOXRFKGDS-LLVKDONJSA-N -1 0 369.399 -0.083 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])ccc1C ZINC000422665532 485041208 /nfs/dbraw/zinc/04/12/08/485041208.db2.gz YCWKLLOXRFKGDS-NSHDSACASA-N -1 0 369.399 -0.083 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC ZINC000422666562 484412995 /nfs/dbraw/zinc/41/29/95/484412995.db2.gz KACPCLOFVBCYJR-WPRPVWTQSA-N -1 0 354.363 0.151 20 0 FBADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc2c1CCO2)[C@@H](C)C(=O)[O-] ZINC000422667756 485041654 /nfs/dbraw/zinc/04/16/54/485041654.db2.gz AADWQPBRDPUCGD-JTQLQIEISA-N -1 0 363.370 -0.002 20 0 FBADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc2c1CCO2)[C@H](C)C(=O)[O-] ZINC000422667757 485040798 /nfs/dbraw/zinc/04/07/98/485040798.db2.gz AADWQPBRDPUCGD-SNVBAGLBSA-N -1 0 363.370 -0.002 20 0 FBADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc2c(c1)OCO2)[C@H](C)C(=O)[O-] ZINC000422668171 485041610 /nfs/dbraw/zinc/04/16/10/485041610.db2.gz CMZIAZFCPOXOFK-SECBINFHSA-N -1 0 365.342 -0.208 20 0 FBADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc2c(c1)OCO2)[C@@H](C)C(=O)[O-] ZINC000422668172 485040962 /nfs/dbraw/zinc/04/09/62/485040962.db2.gz CMZIAZFCPOXOFK-VIFPVBQESA-N -1 0 365.342 -0.208 20 0 FBADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc2c(c1)CCO2)[C@@H](C)C(=O)[O-] ZINC000422668175 485041047 /nfs/dbraw/zinc/04/10/47/485041047.db2.gz CNMDETRFNOIOLL-JTQLQIEISA-N -1 0 363.370 -0.002 20 0 FBADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc2c(c1)CCO2)[C@H](C)C(=O)[O-] ZINC000422668176 485041426 /nfs/dbraw/zinc/04/14/26/485041426.db2.gz CNMDETRFNOIOLL-SNVBAGLBSA-N -1 0 363.370 -0.002 20 0 FBADRM CCCC[C@H](NC(=O)C(=O)Nc1nn(C)cc1C(=O)OCC)C(=O)[O-] ZINC000422669173 484294843 /nfs/dbraw/zinc/29/48/43/484294843.db2.gz GWAAGCFDVQKHJA-JTQLQIEISA-N -1 0 354.363 0.295 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000422671002 485041055 /nfs/dbraw/zinc/04/10/55/485041055.db2.gz JBXXLRRIBFFIQC-GFCCVEGCSA-N -1 0 369.399 -0.001 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000422671003 485041778 /nfs/dbraw/zinc/04/17/78/485041778.db2.gz JBXXLRRIBFFIQC-LBPRGKRZSA-N -1 0 369.399 -0.001 20 0 FBADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc2c1OCO2)[C@H](C)C(=O)[O-] ZINC000422674678 485041526 /nfs/dbraw/zinc/04/15/26/485041526.db2.gz WVHBCQJDCNJLKY-SECBINFHSA-N -1 0 365.342 -0.208 20 0 FBADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc2c1OCO2)[C@@H](C)C(=O)[O-] ZINC000422674679 485041555 /nfs/dbraw/zinc/04/15/55/485041555.db2.gz WVHBCQJDCNJLKY-VIFPVBQESA-N -1 0 365.342 -0.208 20 0 FBADRM COCCCn1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)n1 ZINC000422680447 484312416 /nfs/dbraw/zinc/31/24/16/484312416.db2.gz BFKABDGKDVYVKY-YVEFUNNKSA-N -1 0 364.402 0.571 20 0 FBADRM COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000422683132 485041547 /nfs/dbraw/zinc/04/15/47/485041547.db2.gz LTTQDFFWVLWXIC-HNNXBMFYSA-N -1 0 351.363 -0.187 20 0 FBADRM COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000422683133 485041374 /nfs/dbraw/zinc/04/13/74/485041374.db2.gz LTTQDFFWVLWXIC-OAHLLOKOSA-N -1 0 351.363 -0.187 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000422687293 484408955 /nfs/dbraw/zinc/40/89/55/484408955.db2.gz BKABDFAXGITSLO-NXEZZACHSA-N -1 0 366.374 0.105 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000422687294 484409192 /nfs/dbraw/zinc/40/91/92/484409192.db2.gz BKABDFAXGITSLO-UWVGGRQHSA-N -1 0 366.374 0.105 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000422687295 484409157 /nfs/dbraw/zinc/40/91/57/484409157.db2.gz BKABDFAXGITSLO-VHSXEESVSA-N -1 0 366.374 0.105 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000422687296 484409213 /nfs/dbraw/zinc/40/92/13/484409213.db2.gz BKABDFAXGITSLO-ZJUUUORDSA-N -1 0 366.374 0.105 20 0 FBADRM CC[C@H](NC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000422699954 485041697 /nfs/dbraw/zinc/04/16/97/485041697.db2.gz FPQXHWOFWATLBO-AGIUHOORSA-N -1 0 369.418 -0.691 20 0 FBADRM CC[C@H](NC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000422699955 485040843 /nfs/dbraw/zinc/04/08/43/485040843.db2.gz FPQXHWOFWATLBO-AVGNSLFASA-N -1 0 369.418 -0.691 20 0 FBADRM CC[C@H](NC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000422699956 485041788 /nfs/dbraw/zinc/04/17/88/485041788.db2.gz FPQXHWOFWATLBO-UPJWGTAASA-N -1 0 369.418 -0.691 20 0 FBADRM CC[C@H](NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1)C(=O)N1CCOCC1 ZINC000422699957 485040807 /nfs/dbraw/zinc/04/08/07/485040807.db2.gz FPQXHWOFWATLBO-XQQFMLRXSA-N -1 0 369.418 -0.691 20 0 FBADRM C[C@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)CC1=O ZINC000422700988 485041099 /nfs/dbraw/zinc/04/10/99/485041099.db2.gz HTOAHYZEYKWOME-KSSYENDESA-N -1 0 351.403 -0.319 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)CC1=O ZINC000422700989 485041737 /nfs/dbraw/zinc/04/17/37/485041737.db2.gz HTOAHYZEYKWOME-LBELIVKGSA-N -1 0 351.403 -0.319 20 0 FBADRM C[C@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)CC1=O ZINC000422700990 485041722 /nfs/dbraw/zinc/04/17/22/485041722.db2.gz HTOAHYZEYKWOME-SJHCENCUSA-N -1 0 351.403 -0.319 20 0 FBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)CC1=O ZINC000422700991 485041181 /nfs/dbraw/zinc/04/11/81/485041181.db2.gz HTOAHYZEYKWOME-UJPOAAIJSA-N -1 0 351.403 -0.319 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)C1 ZINC000422701323 485041601 /nfs/dbraw/zinc/04/16/01/485041601.db2.gz IGGPWRPYNLYZBL-SRVKXCTJSA-N -1 0 354.407 -0.524 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)C1 ZINC000422701325 485041572 /nfs/dbraw/zinc/04/15/72/485041572.db2.gz IGGPWRPYNLYZBL-TUAOUCFPSA-N -1 0 354.407 -0.524 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)C1 ZINC000422701326 485041195 /nfs/dbraw/zinc/04/11/95/485041195.db2.gz IGGPWRPYNLYZBL-UTUOFQBUSA-N -1 0 354.407 -0.524 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)C1 ZINC000422701327 485041767 /nfs/dbraw/zinc/04/17/67/485041767.db2.gz IGGPWRPYNLYZBL-WOPDTQHZSA-N -1 0 354.407 -0.524 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CCC2)C1 ZINC000422701463 485040835 /nfs/dbraw/zinc/04/08/35/485040835.db2.gz IQINOXDRXWSZIU-NEPJUHHUSA-N -1 0 374.459 -0.113 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CCC2)C1 ZINC000422701466 485040920 /nfs/dbraw/zinc/04/09/20/485040920.db2.gz IQINOXDRXWSZIU-NWDGAFQWSA-N -1 0 374.459 -0.113 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CCC2)C1 ZINC000422701468 485040703 /nfs/dbraw/zinc/04/07/03/485040703.db2.gz IQINOXDRXWSZIU-RYUDHWBXSA-N -1 0 374.459 -0.113 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CCC2)C1 ZINC000422701470 485041161 /nfs/dbraw/zinc/04/11/61/485041161.db2.gz IQINOXDRXWSZIU-VXGBXAGGSA-N -1 0 374.459 -0.113 20 0 FBADRM CCNC(=O)C1(CNC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)CCC1 ZINC000422701996 485041648 /nfs/dbraw/zinc/04/16/48/485041648.db2.gz JVDXYMYFCUGXRN-NEPJUHHUSA-N -1 0 353.419 -0.022 20 0 FBADRM CCNC(=O)C1(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)CCC1 ZINC000422701997 485041307 /nfs/dbraw/zinc/04/13/07/485041307.db2.gz JVDXYMYFCUGXRN-NWDGAFQWSA-N -1 0 353.419 -0.022 20 0 FBADRM CCNC(=O)C1(CNC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)CCC1 ZINC000422701998 485041505 /nfs/dbraw/zinc/04/15/05/485041505.db2.gz JVDXYMYFCUGXRN-RYUDHWBXSA-N -1 0 353.419 -0.022 20 0 FBADRM CCNC(=O)C1(CNC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)CCC1 ZINC000422701999 485041509 /nfs/dbraw/zinc/04/15/09/485041509.db2.gz JVDXYMYFCUGXRN-VXGBXAGGSA-N -1 0 353.419 -0.022 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000422702380 485041578 /nfs/dbraw/zinc/04/15/78/485041578.db2.gz DXMMCSPFUNHFOU-KRWDZBQOSA-N -1 0 363.370 -0.113 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000422702381 485041217 /nfs/dbraw/zinc/04/12/17/485041217.db2.gz DXMMCSPFUNHFOU-QGZVFWFLSA-N -1 0 363.370 -0.113 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)C1 ZINC000422704527 485041703 /nfs/dbraw/zinc/04/17/03/485041703.db2.gz PWAXMDNGXXVRAO-MROQNXINSA-N -1 0 369.418 -0.692 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC000422704528 485040913 /nfs/dbraw/zinc/04/09/13/485040913.db2.gz PWAXMDNGXXVRAO-VOAKCMCISA-N -1 0 369.418 -0.692 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC000422704529 485041539 /nfs/dbraw/zinc/04/15/39/485041539.db2.gz PWAXMDNGXXVRAO-XQHKEYJVSA-N -1 0 369.418 -0.692 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)C1 ZINC000422704530 485040733 /nfs/dbraw/zinc/04/07/33/485040733.db2.gz PWAXMDNGXXVRAO-YVECIDJPSA-N -1 0 369.418 -0.692 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000422705639 485040945 /nfs/dbraw/zinc/04/09/45/485040945.db2.gz CMQXLLIQKYPDDI-CHWSQXEVSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000422705640 485041114 /nfs/dbraw/zinc/04/11/14/485041114.db2.gz CMQXLLIQKYPDDI-OLZOCXBDSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000422705641 485041713 /nfs/dbraw/zinc/04/17/13/485041713.db2.gz CMQXLLIQKYPDDI-QWHCGFSZSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000422705642 485041706 /nfs/dbraw/zinc/04/17/06/485041706.db2.gz CMQXLLIQKYPDDI-STQMWFEESA-N -1 0 361.402 -0.306 20 0 FBADRM CCCN(C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000422709228 485040879 /nfs/dbraw/zinc/04/08/79/485040879.db2.gz DDKUJQGUUNXHTK-AGIUHOORSA-N -1 0 374.459 -0.019 20 0 FBADRM CCCN(C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000422709229 485041089 /nfs/dbraw/zinc/04/10/89/485041089.db2.gz DDKUJQGUUNXHTK-FRRDWIJNSA-N -1 0 374.459 -0.019 20 0 FBADRM CCCN(C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000422709230 485041173 /nfs/dbraw/zinc/04/11/73/485041173.db2.gz DDKUJQGUUNXHTK-JHJVBQTASA-N -1 0 374.459 -0.019 20 0 FBADRM CCCN(C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000422709231 485040890 /nfs/dbraw/zinc/04/08/90/485040890.db2.gz DDKUJQGUUNXHTK-UPJWGTAASA-N -1 0 374.459 -0.019 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN(c3ncccn3)CC1)C2 ZINC000422713237 485042390 /nfs/dbraw/zinc/04/23/90/485042390.db2.gz PCXIAKDDUINVQV-SCLBCKFNSA-N -1 0 373.413 -0.162 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000422715108 485042934 /nfs/dbraw/zinc/04/29/34/485042934.db2.gz LXJAXDJFYJBJMP-NEPJUHHUSA-N -1 0 355.391 -0.985 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000422715120 485043199 /nfs/dbraw/zinc/04/31/99/485043199.db2.gz LXJAXDJFYJBJMP-NWDGAFQWSA-N -1 0 355.391 -0.985 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000422715121 485043027 /nfs/dbraw/zinc/04/30/27/485043027.db2.gz LXJAXDJFYJBJMP-RYUDHWBXSA-N -1 0 355.391 -0.985 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000422715122 485042996 /nfs/dbraw/zinc/04/29/96/485042996.db2.gz LXJAXDJFYJBJMP-VXGBXAGGSA-N -1 0 355.391 -0.985 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)C1 ZINC000422716322 485042575 /nfs/dbraw/zinc/04/25/75/485042575.db2.gz JYPKOOHNWJOMSN-MROQNXINSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)C1 ZINC000422716326 485042843 /nfs/dbraw/zinc/04/28/43/485042843.db2.gz JYPKOOHNWJOMSN-VOAKCMCISA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)C1 ZINC000422716327 485042982 /nfs/dbraw/zinc/04/29/82/485042982.db2.gz JYPKOOHNWJOMSN-XQHKEYJVSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)C1 ZINC000422716328 485042632 /nfs/dbraw/zinc/04/26/32/485042632.db2.gz JYPKOOHNWJOMSN-YVECIDJPSA-N -1 0 351.403 -0.175 20 0 FBADRM CC(C)C(=O)N1CCN(C(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)CC1 ZINC000422717052 485043048 /nfs/dbraw/zinc/04/30/48/485043048.db2.gz OBZXANTWPCFVIJ-CHWSQXEVSA-N -1 0 353.419 -0.118 20 0 FBADRM CC(C)C(=O)N1CCN(C(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)CC1 ZINC000422717053 485042771 /nfs/dbraw/zinc/04/27/71/485042771.db2.gz OBZXANTWPCFVIJ-OLZOCXBDSA-N -1 0 353.419 -0.118 20 0 FBADRM CC(C)C(=O)N1CCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)CC1 ZINC000422717054 485043100 /nfs/dbraw/zinc/04/31/00/485043100.db2.gz OBZXANTWPCFVIJ-QWHCGFSZSA-N -1 0 353.419 -0.118 20 0 FBADRM CC(C)C(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)CC1 ZINC000422717055 485042444 /nfs/dbraw/zinc/04/24/44/485042444.db2.gz OBZXANTWPCFVIJ-STQMWFEESA-N -1 0 353.419 -0.118 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cnc(N(C)C)n2C)C1 ZINC000422717344 485043082 /nfs/dbraw/zinc/04/30/82/485043082.db2.gz KQTJVVIACBXHSC-GHMZBOCLSA-N -1 0 351.407 -0.329 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cnc(N(C)C)n2C)C1 ZINC000422717350 485042517 /nfs/dbraw/zinc/04/25/17/485042517.db2.gz KQTJVVIACBXHSC-MNOVXSKESA-N -1 0 351.407 -0.329 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cnc(N(C)C)n2C)C1 ZINC000422717351 485042736 /nfs/dbraw/zinc/04/27/36/485042736.db2.gz KQTJVVIACBXHSC-QWRGUYRKSA-N -1 0 351.407 -0.329 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cnc(N(C)C)n2C)C1 ZINC000422717352 485042324 /nfs/dbraw/zinc/04/23/24/485042324.db2.gz KQTJVVIACBXHSC-WDEREUQCSA-N -1 0 351.407 -0.329 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000422718179 485042721 /nfs/dbraw/zinc/04/27/21/485042721.db2.gz PGMPIUUZOMBYDT-UHFFFAOYSA-N -1 0 353.400 -0.034 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000422719428 485042991 /nfs/dbraw/zinc/04/29/91/485042991.db2.gz REDILCXNRCULAO-AWEZNQCLSA-N -1 0 359.382 -0.096 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000422719429 485042279 /nfs/dbraw/zinc/04/22/79/485042279.db2.gz REDILCXNRCULAO-CQSZACIVSA-N -1 0 359.382 -0.096 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000422722507 485042675 /nfs/dbraw/zinc/04/26/75/485042675.db2.gz YDICBVCWGHIVEG-LLVKDONJSA-N -1 0 365.411 -0.034 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000422722508 485042899 /nfs/dbraw/zinc/04/28/99/485042899.db2.gz YDICBVCWGHIVEG-NSHDSACASA-N -1 0 365.411 -0.034 20 0 FBADRM COc1c(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c(C)nn1C ZINC000422725235 485042509 /nfs/dbraw/zinc/04/25/09/485042509.db2.gz XSQUOFNJIFNOLA-GXSJLCMTSA-N -1 0 352.391 -0.077 20 0 FBADRM COc1c(CNC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c(C)nn1C ZINC000422725242 485042476 /nfs/dbraw/zinc/04/24/76/485042476.db2.gz XSQUOFNJIFNOLA-KOLCDFICSA-N -1 0 352.391 -0.077 20 0 FBADRM COc1c(CNC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c(C)nn1C ZINC000422725244 485042850 /nfs/dbraw/zinc/04/28/50/485042850.db2.gz XSQUOFNJIFNOLA-MWLCHTKSSA-N -1 0 352.391 -0.077 20 0 FBADRM COc1c(CNC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c(C)nn1C ZINC000422725245 485042953 /nfs/dbraw/zinc/04/29/53/485042953.db2.gz XSQUOFNJIFNOLA-ONGXEEELSA-N -1 0 352.391 -0.077 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000422725819 485043098 /nfs/dbraw/zinc/04/30/98/485043098.db2.gz YRUGRMZNMAOURA-AAEUAGOBSA-N -1 0 362.386 -0.503 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000422725822 485042588 /nfs/dbraw/zinc/04/25/88/485042588.db2.gz YRUGRMZNMAOURA-DGCLKSJQSA-N -1 0 362.386 -0.503 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000422725823 485042865 /nfs/dbraw/zinc/04/28/65/485042865.db2.gz YRUGRMZNMAOURA-WCQYABFASA-N -1 0 362.386 -0.503 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000422725824 485042701 /nfs/dbraw/zinc/04/27/01/485042701.db2.gz YRUGRMZNMAOURA-YPMHNXCESA-N -1 0 362.386 -0.503 20 0 FBADRM COc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)CC2)n1 ZINC000422734027 485042664 /nfs/dbraw/zinc/04/26/64/485042664.db2.gz BZUQHPUGTBRPJC-LLVKDONJSA-N -1 0 363.374 -0.933 20 0 FBADRM COc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)CC2)n1 ZINC000422734028 485043149 /nfs/dbraw/zinc/04/31/49/485043149.db2.gz BZUQHPUGTBRPJC-NSHDSACASA-N -1 0 363.374 -0.933 20 0 FBADRM COCC(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1 ZINC000422736841 485042957 /nfs/dbraw/zinc/04/29/57/485042957.db2.gz HALRHCJRPGPRMS-YVEFUNNKSA-N -1 0 367.402 -0.983 20 0 FBADRM COc1ccnc(N2CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CC2)n1 ZINC000422738048 485043068 /nfs/dbraw/zinc/04/30/68/485043068.db2.gz IZZIBYPQQURVLB-LLVKDONJSA-N -1 0 365.390 -0.687 20 0 FBADRM COc1ccnc(N2CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC2)n1 ZINC000422738054 485042536 /nfs/dbraw/zinc/04/25/36/485042536.db2.gz IZZIBYPQQURVLB-NSHDSACASA-N -1 0 365.390 -0.687 20 0 FBADRM CCN(CC)C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000422739904 485043031 /nfs/dbraw/zinc/04/30/31/485043031.db2.gz AQJJFWODDIGKGX-GFCCVEGCSA-N -1 0 354.407 -0.475 20 0 FBADRM CCN(CC)C(=O)N1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC000422739905 485043177 /nfs/dbraw/zinc/04/31/77/485043177.db2.gz AQJJFWODDIGKGX-LBPRGKRZSA-N -1 0 354.407 -0.475 20 0 FBADRM CCN(CC)C(=O)N1CCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000422740882 485042914 /nfs/dbraw/zinc/04/29/14/485042914.db2.gz CLBZQGPWOLZQTP-UHFFFAOYSA-N -1 0 368.434 -0.084 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC000422742271 485042775 /nfs/dbraw/zinc/04/27/75/485042775.db2.gz RAYVZNNCQLSYES-HNNXBMFYSA-N -1 0 373.409 -0.167 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC000422742272 485042709 /nfs/dbraw/zinc/04/27/09/485042709.db2.gz RAYVZNNCQLSYES-OAHLLOKOSA-N -1 0 373.409 -0.167 20 0 FBADRM COc1ccnc(N2CCN(C(=O)C(=O)N(C)CCCC(=O)[O-])CC2)n1 ZINC000422742767 485044628 /nfs/dbraw/zinc/04/46/28/485044628.db2.gz QJJAMISUOHAROV-UHFFFAOYSA-N -1 0 365.390 -0.543 20 0 FBADRM COc1ccnc(N2CCN(C(=O)C(=O)N(C)CCC(=O)[O-])CC2)n1 ZINC000422744392 485044295 /nfs/dbraw/zinc/04/42/95/485044295.db2.gz STBHELGNFYLQFS-UHFFFAOYSA-N -1 0 351.363 -0.933 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000422744588 485045001 /nfs/dbraw/zinc/04/50/01/485045001.db2.gz WINYBVUQNSVWMO-UHFFFAOYSA-N -1 0 361.398 -0.167 20 0 FBADRM CN(CC(=O)N1CCOCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000422744655 485044451 /nfs/dbraw/zinc/04/44/51/485044451.db2.gz KOAXSIWUJIXIBE-YVEFUNNKSA-N -1 0 367.402 -0.983 20 0 FBADRM CCN(CC)C(=O)N1CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CC1 ZINC000422747187 485042858 /nfs/dbraw/zinc/04/28/58/485042858.db2.gz PLAWSSITBBELDB-GFCCVEGCSA-N -1 0 356.423 -0.229 20 0 FBADRM CCN(CC)C(=O)N1CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC1 ZINC000422747190 485042687 /nfs/dbraw/zinc/04/26/87/485042687.db2.gz PLAWSSITBBELDB-LBPRGKRZSA-N -1 0 356.423 -0.229 20 0 FBADRM CC(=O)N[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1 ZINC000422747318 485043192 /nfs/dbraw/zinc/04/31/92/485043192.db2.gz PUDRHGMSAUGFNQ-GDZNZVCISA-N -1 0 351.403 -0.173 20 0 FBADRM CC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1 ZINC000422747319 485042971 /nfs/dbraw/zinc/04/29/71/485042971.db2.gz PUDRHGMSAUGFNQ-OGHNNQOOSA-N -1 0 351.403 -0.173 20 0 FBADRM CCN(CC)C(=O)N1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1 ZINC000422747713 485043129 /nfs/dbraw/zinc/04/31/29/485043129.db2.gz QRKOATAXIQJSCU-KRWDZBQOSA-N -1 0 368.434 -0.084 20 0 FBADRM CCN(CC)C(=O)N1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000422747714 485042942 /nfs/dbraw/zinc/04/29/42/485042942.db2.gz QRKOATAXIQJSCU-QGZVFWFLSA-N -1 0 368.434 -0.084 20 0 FBADRM Cc1cc(C)nc(N2CCN(C(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)CC2)n1 ZINC000422748440 485043056 /nfs/dbraw/zinc/04/30/56/485043056.db2.gz UOJIDFKUPNBESR-CYBMUJFWSA-N -1 0 361.402 -0.325 20 0 FBADRM Cc1cc(C)nc(N2CCN(C(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)CC2)n1 ZINC000422748441 485042491 /nfs/dbraw/zinc/04/24/91/485042491.db2.gz UOJIDFKUPNBESR-ZDUSSCGKSA-N -1 0 361.402 -0.325 20 0 FBADRM Cc1cc(C)nc(N2CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CC2)n1 ZINC000422748549 485042790 /nfs/dbraw/zinc/04/27/90/485042790.db2.gz VADSQJYUBMSLME-LLVKDONJSA-N -1 0 363.418 -0.079 20 0 FBADRM Cc1cc(C)nc(N2CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC2)n1 ZINC000422748550 485043002 /nfs/dbraw/zinc/04/30/02/485043002.db2.gz VADSQJYUBMSLME-NSHDSACASA-N -1 0 363.418 -0.079 20 0 FBADRM CCN(CC)C(=O)N1CCN(C(=O)C(=O)N(C)CCCC(=O)[O-])CC1 ZINC000422749266 485042260 /nfs/dbraw/zinc/04/22/60/485042260.db2.gz YGUNHXIVEQCCAX-UHFFFAOYSA-N -1 0 356.423 -0.084 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC[C@H]1C(=O)NC1CC1)C2 ZINC000422751023 485043102 /nfs/dbraw/zinc/04/31/02/485043102.db2.gz AWNIACJMYGNJBH-RRUGBERISA-N -1 0 363.414 -0.031 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H]1C(=O)NC1CC1)C2 ZINC000422751024 485043008 /nfs/dbraw/zinc/04/30/08/485043008.db2.gz AWNIACJMYGNJBH-WHWRDJHUSA-N -1 0 363.414 -0.031 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000422758433 485042338 /nfs/dbraw/zinc/04/23/38/485042338.db2.gz DTGOLXICBONKPV-JHJVBQTASA-N -1 0 369.418 -0.691 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000422758434 485042873 /nfs/dbraw/zinc/04/28/73/485042873.db2.gz DTGOLXICBONKPV-UPJWGTAASA-N -1 0 369.418 -0.691 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000422758435 485043017 /nfs/dbraw/zinc/04/30/17/485043017.db2.gz DTGOLXICBONKPV-XQQFMLRXSA-N -1 0 369.418 -0.691 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000422758436 485042295 /nfs/dbraw/zinc/04/22/95/485042295.db2.gz DTGOLXICBONKPV-YNEHKIRRSA-N -1 0 369.418 -0.691 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N(C)CCCC(=O)[O-])C1 ZINC000422761251 485044661 /nfs/dbraw/zinc/04/46/61/485044661.db2.gz HKXYCEPMDOFHDS-CHWSQXEVSA-N -1 0 371.434 -0.301 20 0 FBADRM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)N(C)CCCC(=O)[O-])C1 ZINC000422761275 485044888 /nfs/dbraw/zinc/04/48/88/485044888.db2.gz HKXYCEPMDOFHDS-OLZOCXBDSA-N -1 0 371.434 -0.301 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N(C)CCCC(=O)[O-])C1 ZINC000422761277 485043975 /nfs/dbraw/zinc/04/39/75/485043975.db2.gz HKXYCEPMDOFHDS-QWHCGFSZSA-N -1 0 371.434 -0.301 20 0 FBADRM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)N(C)CCCC(=O)[O-])C1 ZINC000422761279 485044507 /nfs/dbraw/zinc/04/45/07/485044507.db2.gz HKXYCEPMDOFHDS-STQMWFEESA-N -1 0 371.434 -0.301 20 0 FBADRM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC000422766765 485044099 /nfs/dbraw/zinc/04/40/99/485044099.db2.gz MIRRUFQJQIYHEP-NEPJUHHUSA-N -1 0 357.407 -0.691 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC000422766770 485044232 /nfs/dbraw/zinc/04/42/32/485044232.db2.gz MIRRUFQJQIYHEP-NWDGAFQWSA-N -1 0 357.407 -0.691 20 0 FBADRM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC000422766772 485044483 /nfs/dbraw/zinc/04/44/83/485044483.db2.gz MIRRUFQJQIYHEP-RYUDHWBXSA-N -1 0 357.407 -0.691 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC000422766774 485044463 /nfs/dbraw/zinc/04/44/63/485044463.db2.gz MIRRUFQJQIYHEP-VXGBXAGGSA-N -1 0 357.407 -0.691 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN(c3cnccn3)CC1)C2 ZINC000422769541 485045011 /nfs/dbraw/zinc/04/50/11/485045011.db2.gz VCTAHEBQYSXCNS-SCLBCKFNSA-N -1 0 373.413 -0.162 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)C(=O)[O-] ZINC000422769833 485045027 /nfs/dbraw/zinc/04/50/27/485045027.db2.gz UDFOXHYWYNUJFI-AAEUAGOBSA-N -1 0 353.419 -0.070 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)C(=O)[O-] ZINC000422769834 485044071 /nfs/dbraw/zinc/04/40/71/485044071.db2.gz UDFOXHYWYNUJFI-DGCLKSJQSA-N -1 0 353.419 -0.070 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)C(=O)[O-] ZINC000422769835 485044653 /nfs/dbraw/zinc/04/46/53/485044653.db2.gz UDFOXHYWYNUJFI-WCQYABFASA-N -1 0 353.419 -0.070 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)C(=O)[O-] ZINC000422769836 485044255 /nfs/dbraw/zinc/04/42/55/485044255.db2.gz UDFOXHYWYNUJFI-YPMHNXCESA-N -1 0 353.419 -0.070 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000422770351 485043780 /nfs/dbraw/zinc/04/37/80/485043780.db2.gz WFRCQGNKSWIRBK-CHWSQXEVSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000422770352 485043941 /nfs/dbraw/zinc/04/39/41/485043941.db2.gz WFRCQGNKSWIRBK-OLZOCXBDSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000422770353 485043809 /nfs/dbraw/zinc/04/38/09/485043809.db2.gz WFRCQGNKSWIRBK-QWHCGFSZSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000422770354 485044878 /nfs/dbraw/zinc/04/48/78/485044878.db2.gz WFRCQGNKSWIRBK-STQMWFEESA-N -1 0 361.402 -0.306 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC000422771469 485044991 /nfs/dbraw/zinc/04/49/91/485044991.db2.gz RIEBPXZJWREXDL-FRRDWIJNSA-N -1 0 371.434 -0.445 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC000422771470 485044679 /nfs/dbraw/zinc/04/46/79/485044679.db2.gz RIEBPXZJWREXDL-JHJVBQTASA-N -1 0 371.434 -0.445 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC000422771472 485044535 /nfs/dbraw/zinc/04/45/35/485044535.db2.gz RIEBPXZJWREXDL-RWMBFGLXSA-N -1 0 371.434 -0.445 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC000422771474 485043969 /nfs/dbraw/zinc/04/39/69/485043969.db2.gz RIEBPXZJWREXDL-YNEHKIRRSA-N -1 0 371.434 -0.445 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@H]2C(=O)NC2CC2)C1 ZINC000422772104 485043765 /nfs/dbraw/zinc/04/37/65/485043765.db2.gz YRLDMORMPMFXOR-MDZLAQPJSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000422772105 485044741 /nfs/dbraw/zinc/04/47/41/485044741.db2.gz YRLDMORMPMFXOR-NQBHXWOUSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000422772106 485044526 /nfs/dbraw/zinc/04/45/26/485044526.db2.gz YRLDMORMPMFXOR-NTZNESFSSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@H]2C(=O)NC2CC2)C1 ZINC000422772107 485043883 /nfs/dbraw/zinc/04/38/83/485043883.db2.gz YRLDMORMPMFXOR-WZRBSPASSA-N -1 0 351.403 -0.175 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000422772163 485044207 /nfs/dbraw/zinc/04/42/07/485044207.db2.gz YYUDHHHQHWGPQH-UHFFFAOYSA-N -1 0 363.370 -0.390 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCN(C(=O)c2ccsc2)CC1 ZINC000422772757 485044784 /nfs/dbraw/zinc/04/47/84/485044784.db2.gz SVGSZOBYSJUUJG-UHFFFAOYSA-N -1 0 353.400 -0.034 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)C1 ZINC000422773329 485044568 /nfs/dbraw/zinc/04/45/68/485044568.db2.gz YJBULWRORINRJS-CHWSQXEVSA-N -1 0 351.403 -0.316 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)C1 ZINC000422773330 485044980 /nfs/dbraw/zinc/04/49/80/485044980.db2.gz YJBULWRORINRJS-OLZOCXBDSA-N -1 0 351.403 -0.316 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)C1 ZINC000422773331 485044041 /nfs/dbraw/zinc/04/40/41/485044041.db2.gz YJBULWRORINRJS-QWHCGFSZSA-N -1 0 351.403 -0.316 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)C1 ZINC000422773332 485044723 /nfs/dbraw/zinc/04/47/23/485044723.db2.gz YJBULWRORINRJS-STQMWFEESA-N -1 0 351.403 -0.316 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccsc3)CC2)C1 ZINC000422774873 485044690 /nfs/dbraw/zinc/04/46/90/485044690.db2.gz YTROMSPPLUNQMT-LLVKDONJSA-N -1 0 365.411 -0.034 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccsc3)CC2)C1 ZINC000422774874 485045022 /nfs/dbraw/zinc/04/50/22/485045022.db2.gz YTROMSPPLUNQMT-NSHDSACASA-N -1 0 365.411 -0.034 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN(c3cccnn3)CC1)C2 ZINC000422794888 485044002 /nfs/dbraw/zinc/04/40/02/485044002.db2.gz HESJTWLPZHJEPS-SCLBCKFNSA-N -1 0 373.413 -0.162 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3cccnn3)CC2)C1 ZINC000422799183 485044752 /nfs/dbraw/zinc/04/47/52/485044752.db2.gz VNMFSLXQSUQKFC-CHWSQXEVSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3cccnn3)CC2)C1 ZINC000422799184 485044020 /nfs/dbraw/zinc/04/40/20/485044020.db2.gz VNMFSLXQSUQKFC-OLZOCXBDSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3cccnn3)CC2)C1 ZINC000422799185 485044673 /nfs/dbraw/zinc/04/46/73/485044673.db2.gz VNMFSLXQSUQKFC-QWHCGFSZSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3cccnn3)CC2)C1 ZINC000422799186 485044361 /nfs/dbraw/zinc/04/43/61/485044361.db2.gz VNMFSLXQSUQKFC-STQMWFEESA-N -1 0 361.402 -0.306 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CCO1 ZINC000422813296 485045949 /nfs/dbraw/zinc/04/59/49/485045949.db2.gz ZIDJIZKUKPYMTN-LYOVBCGYSA-N -1 0 354.359 -0.900 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CCO1 ZINC000422813297 485046126 /nfs/dbraw/zinc/04/61/26/485046126.db2.gz ZIDJIZKUKPYMTN-XMZIXOGTSA-N -1 0 354.359 -0.900 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000422816711 485046533 /nfs/dbraw/zinc/04/65/33/485046533.db2.gz FVTUNZVIHSRTID-GRYCIOLGSA-N -1 0 362.448 -0.163 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000422816712 485045691 /nfs/dbraw/zinc/04/56/91/485045691.db2.gz FVTUNZVIHSRTID-SDDRHHMPSA-N -1 0 362.448 -0.163 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000422816713 485045635 /nfs/dbraw/zinc/04/56/35/485045635.db2.gz FVTUNZVIHSRTID-SRVKXCTJSA-N -1 0 362.448 -0.163 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000422816714 485045593 /nfs/dbraw/zinc/04/55/93/485045593.db2.gz FVTUNZVIHSRTID-WOPDTQHZSA-N -1 0 362.448 -0.163 20 0 FBADRM O=C([O-])CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000422816883 485046549 /nfs/dbraw/zinc/04/65/49/485046549.db2.gz GJWJDZXMTFEPAI-GFCCVEGCSA-N -1 0 351.403 -0.077 20 0 FBADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000422816885 485046394 /nfs/dbraw/zinc/04/63/94/485046394.db2.gz GJWJDZXMTFEPAI-LBPRGKRZSA-N -1 0 351.403 -0.077 20 0 FBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000422819433 485045797 /nfs/dbraw/zinc/04/57/97/485045797.db2.gz IEUNICYOJXZMKK-JRPNMDOOSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000422819434 485046320 /nfs/dbraw/zinc/04/63/20/485046320.db2.gz IEUNICYOJXZMKK-ZIBATOQPSA-N -1 0 360.432 -0.409 20 0 FBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000422820609 485046370 /nfs/dbraw/zinc/04/63/70/485046370.db2.gz RKKZMBYSXBKLRV-BFQNTYOBSA-N -1 0 374.459 -0.019 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000422820610 485045929 /nfs/dbraw/zinc/04/59/29/485045929.db2.gz RKKZMBYSXBKLRV-MQIPJXDCSA-N -1 0 374.459 -0.019 20 0 FBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000422820916 485046510 /nfs/dbraw/zinc/04/65/10/485046510.db2.gz SWFRMGYRHSQBLM-CENBSLRLSA-N -1 0 374.459 -0.020 20 0 FBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000422820917 485046204 /nfs/dbraw/zinc/04/62/04/485046204.db2.gz SWFRMGYRHSQBLM-KZTGVZKYSA-N -1 0 374.459 -0.020 20 0 FBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000422820918 485046386 /nfs/dbraw/zinc/04/63/86/485046386.db2.gz SWFRMGYRHSQBLM-LSSIXWDNSA-N -1 0 374.459 -0.020 20 0 FBADRM C[C@H]([C@H](C)N(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC000422820919 485046268 /nfs/dbraw/zinc/04/62/68/485046268.db2.gz SWFRMGYRHSQBLM-MEQWQQMJSA-N -1 0 374.459 -0.020 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)CCO1 ZINC000422824406 485045877 /nfs/dbraw/zinc/04/58/77/485045877.db2.gz HAZXWBXWBYWNFG-GRYCIOLGSA-N -1 0 356.375 -0.654 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)CCO1 ZINC000422824407 485046218 /nfs/dbraw/zinc/04/62/18/485046218.db2.gz HAZXWBXWBYWNFG-IJLUTSLNSA-N -1 0 356.375 -0.654 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)CCO1 ZINC000422824408 485045845 /nfs/dbraw/zinc/04/58/45/485045845.db2.gz HAZXWBXWBYWNFG-QJPTWQEYSA-N -1 0 356.375 -0.654 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)CCO1 ZINC000422824409 485046496 /nfs/dbraw/zinc/04/64/96/485046496.db2.gz HAZXWBXWBYWNFG-SDDRHHMPSA-N -1 0 356.375 -0.654 20 0 FBADRM CCN(C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)[C@H](C)CS(C)(=O)=O ZINC000422824531 485046428 /nfs/dbraw/zinc/04/64/28/485046428.db2.gz OAYUXYQPPHUTEV-BFQNTYOBSA-N -1 0 374.459 -0.019 20 0 FBADRM CCN(C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)[C@@H](C)CS(C)(=O)=O ZINC000422824532 485045739 /nfs/dbraw/zinc/04/57/39/485045739.db2.gz OAYUXYQPPHUTEV-MQIPJXDCSA-N -1 0 374.459 -0.019 20 0 FBADRM COC(=O)C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CCO1 ZINC000422825779 485046344 /nfs/dbraw/zinc/04/63/44/485046344.db2.gz KHMYJZWUIVVGOD-NVGCLXPQSA-N -1 0 368.386 -0.510 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CCO1 ZINC000422825780 485046503 /nfs/dbraw/zinc/04/65/03/485046503.db2.gz KHMYJZWUIVVGOD-XWCIJXRUSA-N -1 0 368.386 -0.510 20 0 FBADRM CCN(C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)[C@H](C)CS(=O)(=O)CC ZINC000422825984 485046231 /nfs/dbraw/zinc/04/62/31/485046231.db2.gz QKYNWMANSHIISA-ABAIWWIYSA-N -1 0 362.448 -0.019 20 0 FBADRM CCN(C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)[C@H](C)CS(=O)(=O)CC ZINC000422825986 485045983 /nfs/dbraw/zinc/04/59/83/485045983.db2.gz QKYNWMANSHIISA-IAQYHMDHSA-N -1 0 362.448 -0.019 20 0 FBADRM CCN(C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)[C@@H](C)CS(=O)(=O)CC ZINC000422825987 485045854 /nfs/dbraw/zinc/04/58/54/485045854.db2.gz QKYNWMANSHIISA-NHYWBVRUSA-N -1 0 362.448 -0.019 20 0 FBADRM CCN(C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)[C@@H](C)CS(=O)(=O)CC ZINC000422825989 485046142 /nfs/dbraw/zinc/04/61/42/485046142.db2.gz QKYNWMANSHIISA-XHDPSFHLSA-N -1 0 362.448 -0.019 20 0 FBADRM CCN(C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)[C@@H](C)CS(C)(=O)=O ZINC000422826901 485046212 /nfs/dbraw/zinc/04/62/12/485046212.db2.gz RNAHUTVFUOUAKR-GRYCIOLGSA-N -1 0 362.448 -0.163 20 0 FBADRM CCN(C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)[C@H](C)CS(C)(=O)=O ZINC000422826902 485046224 /nfs/dbraw/zinc/04/62/24/485046224.db2.gz RNAHUTVFUOUAKR-IJLUTSLNSA-N -1 0 362.448 -0.163 20 0 FBADRM CCN(C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)[C@H](C)CS(C)(=O)=O ZINC000422826903 485045757 /nfs/dbraw/zinc/04/57/57/485045757.db2.gz RNAHUTVFUOUAKR-UTUOFQBUSA-N -1 0 362.448 -0.163 20 0 FBADRM CCN(C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)[C@@H](C)CS(C)(=O)=O ZINC000422826904 485045470 /nfs/dbraw/zinc/04/54/70/485045470.db2.gz RNAHUTVFUOUAKR-WOPDTQHZSA-N -1 0 362.448 -0.163 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC000422827128 485046587 /nfs/dbraw/zinc/04/65/87/485046587.db2.gz DDAGKQKXJIYKRQ-CYBMUJFWSA-N -1 0 374.397 -0.633 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)CC2)cc1 ZINC000422827129 485046257 /nfs/dbraw/zinc/04/62/57/485046257.db2.gz DDAGKQKXJIYKRQ-ZDUSSCGKSA-N -1 0 374.397 -0.633 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CCO1 ZINC000422828216 485046263 /nfs/dbraw/zinc/04/62/63/485046263.db2.gz NXPAEZHBAHWWGI-GDZNZVCISA-N -1 0 367.402 -0.937 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CCO1 ZINC000422828217 485046085 /nfs/dbraw/zinc/04/60/85/485046085.db2.gz NXPAEZHBAHWWGI-OGHNNQOOSA-N -1 0 367.402 -0.937 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CCO1 ZINC000422831381 485046196 /nfs/dbraw/zinc/04/61/96/485046196.db2.gz SNFRFRMUJDDEEU-CHWSQXEVSA-N -1 0 370.402 -0.120 20 0 FBADRM COC(=O)C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CCO1 ZINC000422831382 485045909 /nfs/dbraw/zinc/04/59/09/485045909.db2.gz SNFRFRMUJDDEEU-OLZOCXBDSA-N -1 0 370.402 -0.120 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CCO1 ZINC000422831383 485046025 /nfs/dbraw/zinc/04/60/25/485046025.db2.gz SNFRFRMUJDDEEU-QWHCGFSZSA-N -1 0 370.402 -0.120 20 0 FBADRM COC(=O)C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CCO1 ZINC000422831384 485046338 /nfs/dbraw/zinc/04/63/38/485046338.db2.gz SNFRFRMUJDDEEU-STQMWFEESA-N -1 0 370.402 -0.120 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000422838202 485046150 /nfs/dbraw/zinc/04/61/50/485046150.db2.gz WOHQFQVRDUDEKA-UHFFFAOYSA-N -1 0 362.386 -0.633 20 0 FBADRM CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1 ZINC000422841701 485046163 /nfs/dbraw/zinc/04/61/63/485046163.db2.gz WQZSMIPMEHWJEJ-LYOVBCGYSA-N -1 0 352.391 -0.770 20 0 FBADRM CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1 ZINC000422841702 485045919 /nfs/dbraw/zinc/04/59/19/485045919.db2.gz WQZSMIPMEHWJEJ-XMZIXOGTSA-N -1 0 352.391 -0.770 20 0 FBADRM CCc1nsc(N2CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC2)n1 ZINC000422845310 485046099 /nfs/dbraw/zinc/04/60/99/485046099.db2.gz BOSWDWPLQNAJHM-JTQLQIEISA-N -1 0 369.447 -0.072 20 0 FBADRM CCc1nsc(N2CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CC2)n1 ZINC000422845311 485046138 /nfs/dbraw/zinc/04/61/38/485046138.db2.gz BOSWDWPLQNAJHM-SNVBAGLBSA-N -1 0 369.447 -0.072 20 0 FBADRM CCc1nsc(N2CCN(C(=O)C(=O)N(C)CCC(=O)[O-])CC2)n1 ZINC000422849677 485045991 /nfs/dbraw/zinc/04/59/91/485045991.db2.gz MEOQKELRANMXTR-UHFFFAOYSA-N -1 0 355.420 -0.318 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1)C(=O)[O-] ZINC000422849926 485045815 /nfs/dbraw/zinc/04/58/15/485045815.db2.gz MOEVSFHDASSDCG-JTQLQIEISA-N -1 0 353.354 -0.557 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1)C(=O)[O-] ZINC000422849933 485045512 /nfs/dbraw/zinc/04/55/12/485045512.db2.gz MOEVSFHDASSDCG-SNVBAGLBSA-N -1 0 353.354 -0.557 20 0 FBADRM CCc1nsc(N2CCN(C(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)CC2)n1 ZINC000422852630 485046593 /nfs/dbraw/zinc/04/65/93/485046593.db2.gz QTFWVAVJHDVNPJ-JTQLQIEISA-N -1 0 367.431 -0.318 20 0 FBADRM CCc1nsc(N2CCN(C(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)CC2)n1 ZINC000422852631 485046185 /nfs/dbraw/zinc/04/61/85/485046185.db2.gz QTFWVAVJHDVNPJ-SNVBAGLBSA-N -1 0 367.431 -0.318 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)C1 ZINC000422853327 485045823 /nfs/dbraw/zinc/04/58/23/485045823.db2.gz RYKOWCLEEPJHCC-BWACUDIHSA-N -1 0 351.403 -0.316 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000422853328 485046365 /nfs/dbraw/zinc/04/63/65/485046365.db2.gz RYKOWCLEEPJHCC-PEBVRCNWSA-N -1 0 351.403 -0.316 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)C1 ZINC000422853329 485045705 /nfs/dbraw/zinc/04/57/05/485045705.db2.gz RYKOWCLEEPJHCC-PSTGCABASA-N -1 0 351.403 -0.316 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000422853330 485045976 /nfs/dbraw/zinc/04/59/76/485045976.db2.gz RYKOWCLEEPJHCC-QFSBIZTOSA-N -1 0 351.403 -0.316 20 0 FBADRM Cc1nccnc1N1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1 ZINC000422853747 485046516 /nfs/dbraw/zinc/04/65/16/485046516.db2.gz CFMMGEPVIJSGRM-KRWDZBQOSA-N -1 0 361.402 -0.243 20 0 FBADRM Cc1nccnc1N1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000422853748 485046012 /nfs/dbraw/zinc/04/60/12/485046012.db2.gz CFMMGEPVIJSGRM-QGZVFWFLSA-N -1 0 361.402 -0.243 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)C1 ZINC000422855105 485046540 /nfs/dbraw/zinc/04/65/40/485046540.db2.gz UVVXHJDCCNSHBM-INIZCTEOSA-N -1 0 365.365 -0.413 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)C1 ZINC000422855107 485047554 /nfs/dbraw/zinc/04/75/54/485047554.db2.gz UVVXHJDCCNSHBM-MRXNPFEDSA-N -1 0 365.365 -0.413 20 0 FBADRM CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000422855445 485048022 /nfs/dbraw/zinc/04/80/22/485048022.db2.gz DXOWXNQRUVFOIY-LLVKDONJSA-N -1 0 354.407 -0.428 20 0 FBADRM CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC000422855460 485047796 /nfs/dbraw/zinc/04/77/96/485047796.db2.gz DXOWXNQRUVFOIY-NSHDSACASA-N -1 0 354.407 -0.428 20 0 FBADRM CC(C)CN1CCN(C(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)CC1=O ZINC000422856365 485046972 /nfs/dbraw/zinc/04/69/72/485046972.db2.gz FAHLFTPIGWCDDI-CHWSQXEVSA-N -1 0 353.419 -0.118 20 0 FBADRM CC(C)CN1CCN(C(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)CC1=O ZINC000422856366 485047855 /nfs/dbraw/zinc/04/78/55/485047855.db2.gz FAHLFTPIGWCDDI-OLZOCXBDSA-N -1 0 353.419 -0.118 20 0 FBADRM CC(C)CN1CCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)CC1=O ZINC000422856367 485047410 /nfs/dbraw/zinc/04/74/10/485047410.db2.gz FAHLFTPIGWCDDI-QWHCGFSZSA-N -1 0 353.419 -0.118 20 0 FBADRM CC(C)CN1CCN(C(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)CC1=O ZINC000422856368 485047939 /nfs/dbraw/zinc/04/79/39/485047939.db2.gz FAHLFTPIGWCDDI-STQMWFEESA-N -1 0 353.419 -0.118 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC[C@@]3(CNC(=O)C3)C1)C2 ZINC000422856621 485047667 /nfs/dbraw/zinc/04/76/67/485047667.db2.gz XDTUCTHANBKJLK-JBBXEZCESA-N -1 0 363.414 -0.172 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000422856622 485047862 /nfs/dbraw/zinc/04/78/62/485047862.db2.gz XDTUCTHANBKJLK-UYHISHBKSA-N -1 0 363.414 -0.172 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3F)CC2)C1 ZINC000422858087 485047164 /nfs/dbraw/zinc/04/71/64/485047164.db2.gz IGNBHBANEARGBD-LLVKDONJSA-N -1 0 350.350 -0.198 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3F)CC2)C1 ZINC000422858088 485048030 /nfs/dbraw/zinc/04/80/30/485048030.db2.gz IGNBHBANEARGBD-NSHDSACASA-N -1 0 350.350 -0.198 20 0 FBADRM CN(CCCC(=O)[O-])C(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000422859368 485047193 /nfs/dbraw/zinc/04/71/93/485047193.db2.gz JVSMUVBPMRVDHN-UHFFFAOYSA-N -1 0 356.423 -0.038 20 0 FBADRM COCCCOC1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1 ZINC000422859670 485047825 /nfs/dbraw/zinc/04/78/25/485047825.db2.gz KQYCDFIJGZAWRO-YVEFUNNKSA-N -1 0 354.403 -0.036 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1)C(=O)[O-] ZINC000422861192 485047471 /nfs/dbraw/zinc/04/74/71/485047471.db2.gz MNFQGCZNDPDFGJ-LLVKDONJSA-N -1 0 356.423 -0.182 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1)C(=O)[O-] ZINC000422861193 485047992 /nfs/dbraw/zinc/04/79/92/485047992.db2.gz MNFQGCZNDPDFGJ-NSHDSACASA-N -1 0 356.423 -0.182 20 0 FBADRM Cc1nccc(N2CCN(C(=O)C(=O)N3CC[C@](C)(C(=O)[O-])C3)CC2)n1 ZINC000422862757 485046889 /nfs/dbraw/zinc/04/68/89/485046889.db2.gz OCAYLQRRAHAPHJ-KRWDZBQOSA-N -1 0 361.402 -0.243 20 0 FBADRM Cc1nccc(N2CCN(C(=O)C(=O)N3CC[C@@](C)(C(=O)[O-])C3)CC2)n1 ZINC000422862760 485047301 /nfs/dbraw/zinc/04/73/01/485047301.db2.gz OCAYLQRRAHAPHJ-QGZVFWFLSA-N -1 0 361.402 -0.243 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000422866387 485047579 /nfs/dbraw/zinc/04/75/79/485047579.db2.gz QKLPDIYKGIKBED-UHFFFAOYSA-N -1 0 365.361 -0.070 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)C1 ZINC000422866530 485047534 /nfs/dbraw/zinc/04/75/34/485047534.db2.gz QMYPLKGJENLVTH-LLVKDONJSA-N -1 0 350.350 -0.198 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)C1 ZINC000422866531 485047315 /nfs/dbraw/zinc/04/73/15/485047315.db2.gz QMYPLKGJENLVTH-NSHDSACASA-N -1 0 350.350 -0.198 20 0 FBADRM CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1 ZINC000422870542 485047430 /nfs/dbraw/zinc/04/74/30/485047430.db2.gz YWHBJJHCEULVIX-KRWDZBQOSA-N -1 0 368.434 -0.038 20 0 FBADRM CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000422870543 485047134 /nfs/dbraw/zinc/04/71/34/485047134.db2.gz YWHBJJHCEULVIX-QGZVFWFLSA-N -1 0 368.434 -0.038 20 0 FBADRM COCCN(Cc1ccnn1C)C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000422871955 485047247 /nfs/dbraw/zinc/04/72/47/485047247.db2.gz FBOJTHOSWQRKCE-CHWSQXEVSA-N -1 0 366.418 -0.036 20 0 FBADRM COCCN(Cc1ccnn1C)C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000422871956 485047776 /nfs/dbraw/zinc/04/77/76/485047776.db2.gz FBOJTHOSWQRKCE-OLZOCXBDSA-N -1 0 366.418 -0.036 20 0 FBADRM COCCN(Cc1ccnn1C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000422871957 485047176 /nfs/dbraw/zinc/04/71/76/485047176.db2.gz FBOJTHOSWQRKCE-QWHCGFSZSA-N -1 0 366.418 -0.036 20 0 FBADRM COCCN(Cc1ccnn1C)C(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000422871958 485047065 /nfs/dbraw/zinc/04/70/65/485047065.db2.gz FBOJTHOSWQRKCE-STQMWFEESA-N -1 0 366.418 -0.036 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C1 ZINC000422875670 485047711 /nfs/dbraw/zinc/04/77/11/485047711.db2.gz FOHLEWKDUMTPGC-BDJLRTHQSA-N -1 0 352.391 -0.628 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C1 ZINC000422875671 485047512 /nfs/dbraw/zinc/04/75/12/485047512.db2.gz FOHLEWKDUMTPGC-BZNIZROVSA-N -1 0 352.391 -0.628 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC000422875672 485047685 /nfs/dbraw/zinc/04/76/85/485047685.db2.gz FOHLEWKDUMTPGC-MEDUHNTESA-N -1 0 352.391 -0.628 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC000422875673 485047871 /nfs/dbraw/zinc/04/78/71/485047871.db2.gz FOHLEWKDUMTPGC-ZBEGNZNMSA-N -1 0 352.391 -0.628 20 0 FBADRM COCCN(C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)[C@H]1CCOC1 ZINC000422877270 485047259 /nfs/dbraw/zinc/04/72/59/485047259.db2.gz HPDTWLUEEGNVPD-GDZNZVCISA-N -1 0 354.403 -0.036 20 0 FBADRM COCCN(C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)[C@@H]1CCOC1 ZINC000422877271 485046930 /nfs/dbraw/zinc/04/69/30/485046930.db2.gz HPDTWLUEEGNVPD-OGHNNQOOSA-N -1 0 354.403 -0.036 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC000422877787 485047646 /nfs/dbraw/zinc/04/76/46/485047646.db2.gz ILHPVVKHXRDCNX-MDZLAQPJSA-N -1 0 366.418 -0.382 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C1 ZINC000422877796 485047283 /nfs/dbraw/zinc/04/72/83/485047283.db2.gz ILHPVVKHXRDCNX-NQBHXWOUSA-N -1 0 366.418 -0.382 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C1 ZINC000422877799 485046946 /nfs/dbraw/zinc/04/69/46/485046946.db2.gz ILHPVVKHXRDCNX-NTZNESFSSA-N -1 0 366.418 -0.382 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC000422877801 485047624 /nfs/dbraw/zinc/04/76/24/485047624.db2.gz ILHPVVKHXRDCNX-WZRBSPASSA-N -1 0 366.418 -0.382 20 0 FBADRM CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000422884733 485048000 /nfs/dbraw/zinc/04/80/00/485048000.db2.gz FMXCPTXBFKMCLI-LLVKDONJSA-N -1 0 373.365 -0.326 20 0 FBADRM CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000422884734 485047919 /nfs/dbraw/zinc/04/79/19/485047919.db2.gz FMXCPTXBFKMCLI-NSHDSACASA-N -1 0 373.365 -0.326 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)C1 ZINC000422888000 485047791 /nfs/dbraw/zinc/04/77/91/485047791.db2.gz ZPHZAMKZTCCWMI-GFCCVEGCSA-N -1 0 361.402 -0.131 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)C1 ZINC000422888001 485047727 /nfs/dbraw/zinc/04/77/27/485047727.db2.gz ZPHZAMKZTCCWMI-LBPRGKRZSA-N -1 0 361.402 -0.131 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N(C)CCN1C(=O)c2ccccc2C1=O ZINC000422891019 485047490 /nfs/dbraw/zinc/04/74/90/485047490.db2.gz UJYSDLHVSFIZJK-UHFFFAOYSA-N -1 0 361.354 -0.326 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](COCC3CC3)C2)C1 ZINC000422894652 485047736 /nfs/dbraw/zinc/04/77/36/485047736.db2.gz CSTJZBWPFSWXJJ-KBPBESRZSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](COCC3CC3)C2)C1 ZINC000422894653 485047480 /nfs/dbraw/zinc/04/74/80/485047480.db2.gz CSTJZBWPFSWXJJ-KGLIPLIRSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](COCC3CC3)C2)C1 ZINC000422894654 485047891 /nfs/dbraw/zinc/04/78/91/485047891.db2.gz CSTJZBWPFSWXJJ-UONOGXRCSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](COCC3CC3)C2)C1 ZINC000422894655 485047757 /nfs/dbraw/zinc/04/77/57/485047757.db2.gz CSTJZBWPFSWXJJ-ZIAGYGMSSA-N -1 0 354.403 -0.036 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)CC1=O ZINC000422897153 485047079 /nfs/dbraw/zinc/04/70/79/485047079.db2.gz JFFIIKWXUOCKMY-CHWSQXEVSA-N -1 0 369.418 -0.737 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)CC1=O ZINC000422897154 485047947 /nfs/dbraw/zinc/04/79/47/485047947.db2.gz JFFIIKWXUOCKMY-OLZOCXBDSA-N -1 0 369.418 -0.737 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)CC1=O ZINC000422897155 485047569 /nfs/dbraw/zinc/04/75/69/485047569.db2.gz JFFIIKWXUOCKMY-QWHCGFSZSA-N -1 0 369.418 -0.737 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)CC1=O ZINC000422897156 485047877 /nfs/dbraw/zinc/04/78/77/485047877.db2.gz JFFIIKWXUOCKMY-STQMWFEESA-N -1 0 369.418 -0.737 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@@H](COCC3CC3)C2)C1 ZINC000422897688 485047228 /nfs/dbraw/zinc/04/72/28/485047228.db2.gz KDDUIBSTRHZQKF-CXAGYDPISA-N -1 0 354.403 -0.036 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@@H](COCC3CC3)C2)C1 ZINC000422897689 485047447 /nfs/dbraw/zinc/04/74/47/485047447.db2.gz KDDUIBSTRHZQKF-DYVFJYSZSA-N -1 0 354.403 -0.036 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@H](COCC3CC3)C2)C1 ZINC000422897690 485046985 /nfs/dbraw/zinc/04/69/85/485046985.db2.gz KDDUIBSTRHZQKF-GUYCJALGSA-N -1 0 354.403 -0.036 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@H](COCC3CC3)C2)C1 ZINC000422897691 485047784 /nfs/dbraw/zinc/04/77/84/485047784.db2.gz KDDUIBSTRHZQKF-SUMWQHHRSA-N -1 0 354.403 -0.036 20 0 FBADRM COc1cc(N2CCN(C(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)CC2)ncn1 ZINC000422899212 485047541 /nfs/dbraw/zinc/04/75/41/485047541.db2.gz HACPYTIXEYLHKU-LLVKDONJSA-N -1 0 363.374 -0.933 20 0 FBADRM COc1cc(N2CCN(C(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)CC2)ncn1 ZINC000422899213 485047604 /nfs/dbraw/zinc/04/76/04/485047604.db2.gz HACPYTIXEYLHKU-NSHDSACASA-N -1 0 363.374 -0.933 20 0 FBADRM CN(C)C(=O)NCCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000422900433 485052289 /nfs/dbraw/zinc/05/22/89/485052289.db2.gz JEPIYGVUAMFOOA-MEDUHNTESA-N -1 0 354.407 -0.571 20 0 FBADRM COc1cc(N2CCN(C(=O)C(=O)N(C)CCC(=O)[O-])CC2)ncn1 ZINC000422901187 485052170 /nfs/dbraw/zinc/05/21/70/485052170.db2.gz KOAJKNKQOILBER-UHFFFAOYSA-N -1 0 351.363 -0.933 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1=O ZINC000422903140 485051557 /nfs/dbraw/zinc/05/15/57/485051557.db2.gz VPSDNGKCGHAXOQ-INIZCTEOSA-N -1 0 355.391 -0.983 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1=O ZINC000422903146 485052214 /nfs/dbraw/zinc/05/22/14/485052214.db2.gz VPSDNGKCGHAXOQ-MRXNPFEDSA-N -1 0 355.391 -0.983 20 0 FBADRM COc1cc(N2CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CC2)ncn1 ZINC000422903359 485052032 /nfs/dbraw/zinc/05/20/32/485052032.db2.gz OIUZNTMKGFJLKK-LLVKDONJSA-N -1 0 365.390 -0.687 20 0 FBADRM COc1cc(N2CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC2)ncn1 ZINC000422903360 485051993 /nfs/dbraw/zinc/05/19/93/485051993.db2.gz OIUZNTMKGFJLKK-NSHDSACASA-N -1 0 365.390 -0.687 20 0 FBADRM COCCN1CCN(C(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CC1=O ZINC000422904310 485048038 /nfs/dbraw/zinc/04/80/38/485048038.db2.gz GTRCKWHXLHWWMO-CYBMUJFWSA-N -1 0 369.418 -0.593 20 0 FBADRM COCCN1CCN(C(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CC1=O ZINC000422904311 485047904 /nfs/dbraw/zinc/04/79/04/485047904.db2.gz GTRCKWHXLHWWMO-ZDUSSCGKSA-N -1 0 369.418 -0.593 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](COCC3CC3)C2)C[C@H]1C(=O)[O-] ZINC000422904708 485048702 /nfs/dbraw/zinc/04/87/02/485048702.db2.gz XYBSBBSJGIKOTL-KWCYVHTRSA-N -1 0 354.403 -0.181 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](COCC3CC3)C2)C[C@H]1C(=O)[O-] ZINC000422904709 485048836 /nfs/dbraw/zinc/04/88/36/485048836.db2.gz XYBSBBSJGIKOTL-MRVWCRGKSA-N -1 0 354.403 -0.181 20 0 FBADRM COc1cc(N2CCN(C(=O)C(=O)N(C)CCCC(=O)[O-])CC2)ncn1 ZINC000422904796 485048429 /nfs/dbraw/zinc/04/84/29/485048429.db2.gz QTBVXEXWOSLRNX-UHFFFAOYSA-N -1 0 365.390 -0.543 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000422908922 485048885 /nfs/dbraw/zinc/04/88/85/485048885.db2.gz DXDQISOHFQGJOA-UHFFFAOYSA-N -1 0 351.334 -0.066 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc(F)c3)C(=O)C2)C1 ZINC000422909766 485048912 /nfs/dbraw/zinc/04/89/12/485048912.db2.gz GSTYCHXEQKKXOM-LLVKDONJSA-N -1 0 363.345 -0.066 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCN(c3cccc(F)c3)C(=O)C2)C1 ZINC000422909767 485049311 /nfs/dbraw/zinc/04/93/11/485049311.db2.gz GSTYCHXEQKKXOM-NSHDSACASA-N -1 0 363.345 -0.066 20 0 FBADRM CCOCCOC1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1 ZINC000422911794 485049267 /nfs/dbraw/zinc/04/92/67/485049267.db2.gz LNUUMWDHVWSDCY-YVEFUNNKSA-N -1 0 354.403 -0.036 20 0 FBADRM COCCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1 ZINC000422912867 485048898 /nfs/dbraw/zinc/04/88/98/485048898.db2.gz XCKKUOWUKRMFDY-GDZNZVCISA-N -1 0 354.403 -0.036 20 0 FBADRM COCCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1 ZINC000422912868 485048861 /nfs/dbraw/zinc/04/88/61/485048861.db2.gz XCKKUOWUKRMFDY-OGHNNQOOSA-N -1 0 354.403 -0.036 20 0 FBADRM COCCN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1=O ZINC000422912924 485049286 /nfs/dbraw/zinc/04/92/86/485049286.db2.gz XLADMYGDEMDQCJ-YVEFUNNKSA-N -1 0 367.402 -0.983 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000422915875 485049123 /nfs/dbraw/zinc/04/91/23/485049123.db2.gz BVYCLHGCSBATPC-BDAKNGLRSA-N -1 0 365.308 -0.254 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000422915879 485048973 /nfs/dbraw/zinc/04/89/73/485048973.db2.gz BVYCLHGCSBATPC-DTWKUNHWSA-N -1 0 365.308 -0.254 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000422915881 485048476 /nfs/dbraw/zinc/04/84/76/485048476.db2.gz BVYCLHGCSBATPC-IUCAKERBSA-N -1 0 365.308 -0.254 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000422915883 485048905 /nfs/dbraw/zinc/04/89/05/485048905.db2.gz BVYCLHGCSBATPC-RKDXNWHRSA-N -1 0 365.308 -0.254 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC[C@H](OCCO)C1)C2 ZINC000422916235 485049211 /nfs/dbraw/zinc/04/92/11/485049211.db2.gz CYIPAYSJWKBSRM-GDZNZVCISA-N -1 0 354.403 -0.300 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H](OCCO)C1)C2 ZINC000422916236 485048722 /nfs/dbraw/zinc/04/87/22/485048722.db2.gz CYIPAYSJWKBSRM-OGHNNQOOSA-N -1 0 354.403 -0.300 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C[C@@H](C)O1 ZINC000422916381 485048845 /nfs/dbraw/zinc/04/88/45/485048845.db2.gz AHBPCCJKMUPLDZ-UZTWBRENSA-N -1 0 368.386 -0.511 20 0 FBADRM CC(C)CN1C[C@H]2CN(C(=O)C(=O)N(C)CCC(=O)[O-])CCN2C1=O ZINC000422916448 485048951 /nfs/dbraw/zinc/04/89/51/485048951.db2.gz APOSUQDYAAMCQP-GFCCVEGCSA-N -1 0 354.407 -0.476 20 0 FBADRM CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N(C)CCC(=O)[O-])CCN2C1=O ZINC000422916449 485049294 /nfs/dbraw/zinc/04/92/94/485049294.db2.gz APOSUQDYAAMCQP-LBPRGKRZSA-N -1 0 354.407 -0.476 20 0 FBADRM CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000422916504 485048923 /nfs/dbraw/zinc/04/89/23/485048923.db2.gz AZNKCCBMMJGOMQ-PXAZEXFGSA-N -1 0 370.402 -0.262 20 0 FBADRM CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000422916505 485048774 /nfs/dbraw/zinc/04/87/74/485048774.db2.gz AZNKCCBMMJGOMQ-SJCJKPOMSA-N -1 0 370.402 -0.262 20 0 FBADRM CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000422916506 485048853 /nfs/dbraw/zinc/04/88/53/485048853.db2.gz AZNKCCBMMJGOMQ-SJKOYZFVSA-N -1 0 370.402 -0.262 20 0 FBADRM CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000422916607 485048827 /nfs/dbraw/zinc/04/88/27/485048827.db2.gz AZNKCCBMMJGOMQ-YVEFUNNKSA-N -1 0 370.402 -0.262 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CC(NC(=O)C3CCC3)C1)C2 ZINC000422917028 485048659 /nfs/dbraw/zinc/04/86/59/485048659.db2.gz FHMIKTYQRWVLLJ-KPZWWZAWSA-N -1 0 363.414 -0.173 20 0 FBADRM CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000422917553 485049256 /nfs/dbraw/zinc/04/92/56/485049256.db2.gz GHNVFGKQYYCNKC-CHWSQXEVSA-N -1 0 370.402 -0.121 20 0 FBADRM CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000422917554 485049278 /nfs/dbraw/zinc/04/92/78/485049278.db2.gz GHNVFGKQYYCNKC-OLZOCXBDSA-N -1 0 370.402 -0.121 20 0 FBADRM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000422917555 485048551 /nfs/dbraw/zinc/04/85/51/485048551.db2.gz GHNVFGKQYYCNKC-QWHCGFSZSA-N -1 0 370.402 -0.121 20 0 FBADRM CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000422917556 485048966 /nfs/dbraw/zinc/04/89/66/485048966.db2.gz GHNVFGKQYYCNKC-STQMWFEESA-N -1 0 370.402 -0.121 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)C[C@@H](C)O1 ZINC000422918584 485049349 /nfs/dbraw/zinc/04/93/49/485049349.db2.gz HQULYVCGYYJVGG-FRRDWIJNSA-N -1 0 370.402 -0.121 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)C[C@@H](C)O1 ZINC000422918585 485049322 /nfs/dbraw/zinc/04/93/22/485049322.db2.gz HQULYVCGYYJVGG-JHJVBQTASA-N -1 0 370.402 -0.121 20 0 FBADRM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000422918752 485048462 /nfs/dbraw/zinc/04/84/62/485048462.db2.gz IQJMVRYYNYPHCR-GRYCIOLGSA-N -1 0 356.375 -0.511 20 0 FBADRM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000422918753 485048869 /nfs/dbraw/zinc/04/88/69/485048869.db2.gz IQJMVRYYNYPHCR-SDDRHHMPSA-N -1 0 356.375 -0.511 20 0 FBADRM CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000422918754 485048485 /nfs/dbraw/zinc/04/84/85/485048485.db2.gz IQJMVRYYNYPHCR-SRVKXCTJSA-N -1 0 356.375 -0.511 20 0 FBADRM CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000422918755 485048561 /nfs/dbraw/zinc/04/85/61/485048561.db2.gz IQJMVRYYNYPHCR-WOPDTQHZSA-N -1 0 356.375 -0.511 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000422919474 485049086 /nfs/dbraw/zinc/04/90/86/485049086.db2.gz KDTGWZNFLLAIHF-GFCCVEGCSA-N -1 0 351.281 -0.500 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000422919475 485049193 /nfs/dbraw/zinc/04/91/93/485049193.db2.gz KDTGWZNFLLAIHF-LBPRGKRZSA-N -1 0 351.281 -0.500 20 0 FBADRM CC(C)CN1C[C@H]2CN(C(=O)C(=O)N(C)CCCC(=O)[O-])CCN2C1=O ZINC000422920934 485049113 /nfs/dbraw/zinc/04/91/13/485049113.db2.gz NZMYURKZQHBLRZ-CYBMUJFWSA-N -1 0 368.434 -0.086 20 0 FBADRM CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N(C)CCCC(=O)[O-])CCN2C1=O ZINC000422920935 485048765 /nfs/dbraw/zinc/04/87/65/485048765.db2.gz NZMYURKZQHBLRZ-ZDUSSCGKSA-N -1 0 368.434 -0.086 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000422920936 485049074 /nfs/dbraw/zinc/04/90/74/485049074.db2.gz OABVYXSMIVGXGQ-DDHJBXDOSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)C[C@@H](C)O1 ZINC000422920937 485048589 /nfs/dbraw/zinc/04/85/89/485048589.db2.gz OABVYXSMIVGXGQ-IRCOFANPSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000422920938 485049356 /nfs/dbraw/zinc/04/93/56/485049356.db2.gz OABVYXSMIVGXGQ-WHOHXGKFSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000422920939 485048684 /nfs/dbraw/zinc/04/86/84/485048684.db2.gz OABVYXSMIVGXGQ-WISYIIOYSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@]12CN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C[C@H]1COCC2 ZINC000422921623 660457463 /nfs/dbraw/zinc/45/74/63/660457463.db2.gz OGUBPWHPVRVTOC-OHUAYANFSA-N -1 0 356.375 -0.796 20 0 FBADRM COC(=O)[C@]12CN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C[C@H]1COCC2 ZINC000422921624 660457484 /nfs/dbraw/zinc/45/74/84/660457484.db2.gz OGUBPWHPVRVTOC-XMZIXOGTSA-N -1 0 356.375 -0.796 20 0 FBADRM CC(C)CN1C[C@H]2CN(C(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)CCN2C1=O ZINC000422921913 485048815 /nfs/dbraw/zinc/04/88/15/485048815.db2.gz RDKLYNAYNVGRQR-CHWSQXEVSA-N -1 0 366.418 -0.476 20 0 FBADRM CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)CCN2C1=O ZINC000422921914 485049239 /nfs/dbraw/zinc/04/92/39/485049239.db2.gz RDKLYNAYNVGRQR-OLZOCXBDSA-N -1 0 366.418 -0.476 20 0 FBADRM CC(C)CN1C[C@H]2CN(C(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)CCN2C1=O ZINC000422921915 485048794 /nfs/dbraw/zinc/04/87/94/485048794.db2.gz RDKLYNAYNVGRQR-QWHCGFSZSA-N -1 0 366.418 -0.476 20 0 FBADRM CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)CCN2C1=O ZINC000422921916 485048494 /nfs/dbraw/zinc/04/84/94/485048494.db2.gz RDKLYNAYNVGRQR-STQMWFEESA-N -1 0 366.418 -0.476 20 0 FBADRM CC(C)CN1C[C@H]2CN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CCN2C1=O ZINC000422922043 485048504 /nfs/dbraw/zinc/04/85/04/485048504.db2.gz RQDGYZQMRBSTDN-CHWSQXEVSA-N -1 0 368.434 -0.230 20 0 FBADRM CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CCN2C1=O ZINC000422922044 485048942 /nfs/dbraw/zinc/04/89/42/485048942.db2.gz RQDGYZQMRBSTDN-OLZOCXBDSA-N -1 0 368.434 -0.230 20 0 FBADRM CC(C)CN1C[C@H]2CN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CCN2C1=O ZINC000422922045 485049203 /nfs/dbraw/zinc/04/92/03/485049203.db2.gz RQDGYZQMRBSTDN-QWHCGFSZSA-N -1 0 368.434 -0.230 20 0 FBADRM CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CCN2C1=O ZINC000422922046 485048714 /nfs/dbraw/zinc/04/87/14/485048714.db2.gz RQDGYZQMRBSTDN-STQMWFEESA-N -1 0 368.434 -0.230 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000422923189 485048810 /nfs/dbraw/zinc/04/88/10/485048810.db2.gz RJWZVZQDWHDBBL-MRVPVSSYSA-N -1 0 351.281 -0.500 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000422923190 485048756 /nfs/dbraw/zinc/04/87/56/485048756.db2.gz RJWZVZQDWHDBBL-QMMMGPOBSA-N -1 0 351.281 -0.500 20 0 FBADRM CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC000422923406 485048436 /nfs/dbraw/zinc/04/84/36/485048436.db2.gz WBLJWNMXVISWFK-INIZCTEOSA-N -1 0 358.391 -0.262 20 0 FBADRM CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC000422923411 485048533 /nfs/dbraw/zinc/04/85/33/485048533.db2.gz WBLJWNMXVISWFK-MRXNPFEDSA-N -1 0 358.391 -0.262 20 0 FBADRM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000422923704 485048528 /nfs/dbraw/zinc/04/85/28/485048528.db2.gz SPGOMNHGASVFQE-GRYCIOLGSA-N -1 0 358.391 -0.265 20 0 FBADRM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000422923705 485049366 /nfs/dbraw/zinc/04/93/66/485049366.db2.gz SPGOMNHGASVFQE-SDDRHHMPSA-N -1 0 358.391 -0.265 20 0 FBADRM CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000422923706 485049249 /nfs/dbraw/zinc/04/92/49/485049249.db2.gz SPGOMNHGASVFQE-SRVKXCTJSA-N -1 0 358.391 -0.265 20 0 FBADRM CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000422923807 485049231 /nfs/dbraw/zinc/04/92/31/485049231.db2.gz SPGOMNHGASVFQE-WOPDTQHZSA-N -1 0 358.391 -0.265 20 0 FBADRM CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC000422924547 485048804 /nfs/dbraw/zinc/04/88/04/485048804.db2.gz YZFRCYPHHQDSGT-PXAZEXFGSA-N -1 0 372.418 -0.016 20 0 FBADRM CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC000422924548 485048568 /nfs/dbraw/zinc/04/85/68/485048568.db2.gz YZFRCYPHHQDSGT-SJCJKPOMSA-N -1 0 372.418 -0.016 20 0 FBADRM CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC000422924549 485048618 /nfs/dbraw/zinc/04/86/18/485048618.db2.gz YZFRCYPHHQDSGT-SJKOYZFVSA-N -1 0 372.418 -0.016 20 0 FBADRM CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC000422924550 485048543 /nfs/dbraw/zinc/04/85/43/485048543.db2.gz YZFRCYPHHQDSGT-YVEFUNNKSA-N -1 0 372.418 -0.016 20 0 FBADRM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000422924634 485048517 /nfs/dbraw/zinc/04/85/17/485048517.db2.gz UIZHEUPUOWBSRZ-JKDFXYPNSA-N -1 0 370.402 -0.121 20 0 FBADRM CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000422924635 485048981 /nfs/dbraw/zinc/04/89/81/485048981.db2.gz UIZHEUPUOWBSRZ-NVGCLXPQSA-N -1 0 370.402 -0.121 20 0 FBADRM CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000422924636 485048599 /nfs/dbraw/zinc/04/85/99/485048599.db2.gz UIZHEUPUOWBSRZ-PRXAMGSTSA-N -1 0 370.402 -0.121 20 0 FBADRM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000422924637 485048749 /nfs/dbraw/zinc/04/87/49/485048749.db2.gz UIZHEUPUOWBSRZ-XWCIJXRUSA-N -1 0 370.402 -0.121 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)C1 ZINC000422925589 485048957 /nfs/dbraw/zinc/04/89/57/485048957.db2.gz BENAFVVPGNSCIJ-MRVPVSSYSA-N -1 0 351.281 -0.847 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)C1 ZINC000422925590 485049176 /nfs/dbraw/zinc/04/91/76/485049176.db2.gz BENAFVVPGNSCIJ-QMMMGPOBSA-N -1 0 351.281 -0.847 20 0 FBADRM CCC1(CC)CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CCS1(=O)=O ZINC000422925593 485048785 /nfs/dbraw/zinc/04/87/85/485048785.db2.gz BGHDRTGNSXEVMW-LLVKDONJSA-N -1 0 360.432 -0.265 20 0 FBADRM CCC1(CC)CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CCS1(=O)=O ZINC000422925594 485049064 /nfs/dbraw/zinc/04/90/64/485049064.db2.gz BGHDRTGNSXEVMW-NSHDSACASA-N -1 0 360.432 -0.265 20 0 FBADRM CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)C(=O)N(C)CCCC(=O)[O-] ZINC000422927664 485050263 /nfs/dbraw/zinc/05/02/63/485050263.db2.gz ZNCAUUUZCWQXDW-NEPJUHHUSA-N -1 0 358.391 -0.121 20 0 FBADRM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)N(C)CCCC(=O)[O-] ZINC000422927665 485050941 /nfs/dbraw/zinc/05/09/41/485050941.db2.gz ZNCAUUUZCWQXDW-NWDGAFQWSA-N -1 0 358.391 -0.121 20 0 FBADRM CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)N(C)CCCC(=O)[O-] ZINC000422927666 485050961 /nfs/dbraw/zinc/05/09/61/485050961.db2.gz ZNCAUUUZCWQXDW-RYUDHWBXSA-N -1 0 358.391 -0.121 20 0 FBADRM CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)C(=O)N(C)CCCC(=O)[O-] ZINC000422927667 485050302 /nfs/dbraw/zinc/05/03/02/485050302.db2.gz ZNCAUUUZCWQXDW-VXGBXAGGSA-N -1 0 358.391 -0.121 20 0 FBADRM COc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)CC2)nc1 ZINC000422927909 485050681 /nfs/dbraw/zinc/05/06/81/485050681.db2.gz HSNOTIXNPFYBFH-GFCCVEGCSA-N -1 0 362.386 -0.328 20 0 FBADRM COc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)CC2)nc1 ZINC000422927910 485050126 /nfs/dbraw/zinc/05/01/26/485050126.db2.gz HSNOTIXNPFYBFH-LBPRGKRZSA-N -1 0 362.386 -0.328 20 0 FBADRM COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)C1 ZINC000422928073 485050238 /nfs/dbraw/zinc/05/02/38/485050238.db2.gz ISLPJNRUMOHCBF-SRVKXCTJSA-N -1 0 372.443 -0.080 20 0 FBADRM COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)C1 ZINC000422928074 485050855 /nfs/dbraw/zinc/05/08/55/485050855.db2.gz ISLPJNRUMOHCBF-TUAOUCFPSA-N -1 0 372.443 -0.080 20 0 FBADRM COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)C1 ZINC000422928075 485050976 /nfs/dbraw/zinc/05/09/76/485050976.db2.gz ISLPJNRUMOHCBF-UTUOFQBUSA-N -1 0 372.443 -0.080 20 0 FBADRM COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)C1 ZINC000422928076 485050414 /nfs/dbraw/zinc/05/04/14/485050414.db2.gz ISLPJNRUMOHCBF-WOPDTQHZSA-N -1 0 372.443 -0.080 20 0 FBADRM COC(=O)[C@H]1CSCCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000422928623 485050966 /nfs/dbraw/zinc/05/09/66/485050966.db2.gz LSZNEJSQVNXRKP-BMIGLBTASA-N -1 0 358.416 -0.326 20 0 FBADRM COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000422928624 485050777 /nfs/dbraw/zinc/05/07/77/485050777.db2.gz LSZNEJSQVNXRKP-BONVTDFDSA-N -1 0 358.416 -0.326 20 0 FBADRM COC(=O)[C@H]1CSCCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000422928625 485050143 /nfs/dbraw/zinc/05/01/43/485050143.db2.gz LSZNEJSQVNXRKP-MEBBXXQBSA-N -1 0 358.416 -0.326 20 0 FBADRM COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000422928626 485050921 /nfs/dbraw/zinc/05/09/21/485050921.db2.gz LSZNEJSQVNXRKP-ZUZCIYMTSA-N -1 0 358.416 -0.326 20 0 FBADRM COc1ccc(N2CCN(C(=O)C(=O)N(C)CCC(=O)[O-])CC2)nc1 ZINC000422928926 485050404 /nfs/dbraw/zinc/05/04/04/485050404.db2.gz NMVYBMMFISBEKQ-UHFFFAOYSA-N -1 0 350.375 -0.328 20 0 FBADRM COc1ccc(N2CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CC2)nc1 ZINC000422929288 485050936 /nfs/dbraw/zinc/05/09/36/485050936.db2.gz PCXRAIPYQMFPCL-GFCCVEGCSA-N -1 0 364.402 -0.082 20 0 FBADRM COc1ccc(N2CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC2)nc1 ZINC000422929289 485050786 /nfs/dbraw/zinc/05/07/86/485050786.db2.gz PCXRAIPYQMFPCL-LBPRGKRZSA-N -1 0 364.402 -0.082 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1)C(=O)[O-] ZINC000422931985 485050253 /nfs/dbraw/zinc/05/02/53/485050253.db2.gz DKJQHRBDXZVGRS-KPZWWZAWSA-N -1 0 361.398 -0.179 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1)C(=O)[O-] ZINC000422931986 485050696 /nfs/dbraw/zinc/05/06/96/485050696.db2.gz DKJQHRBDXZVGRS-KZULUSFZSA-N -1 0 361.398 -0.179 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1)C(=O)[O-] ZINC000422931987 485050472 /nfs/dbraw/zinc/05/04/72/485050472.db2.gz DKJQHRBDXZVGRS-SGTLLEGYSA-N -1 0 361.398 -0.179 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1)C(=O)[O-] ZINC000422931988 485050932 /nfs/dbraw/zinc/05/09/32/485050932.db2.gz DKJQHRBDXZVGRS-XIKOKIGWSA-N -1 0 361.398 -0.179 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C[C@H](C)S1(=O)=O ZINC000422932185 485050565 /nfs/dbraw/zinc/05/05/65/485050565.db2.gz DZNLIJHDCDPEAG-FIXISWKDSA-N -1 0 360.432 -0.266 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C[C@@H](C)S1(=O)=O ZINC000422932186 485050205 /nfs/dbraw/zinc/05/02/05/485050205.db2.gz DZNLIJHDCDPEAG-HFAKWTLXSA-N -1 0 360.432 -0.266 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C[C@H](C)S1(=O)=O ZINC000422932187 485050768 /nfs/dbraw/zinc/05/07/68/485050768.db2.gz DZNLIJHDCDPEAG-RWSFTLGLSA-N -1 0 360.432 -0.266 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C[C@@H](C)S1(=O)=O ZINC000422932188 485050307 /nfs/dbraw/zinc/05/03/07/485050307.db2.gz DZNLIJHDCDPEAG-UEKVPHQBSA-N -1 0 360.432 -0.266 20 0 FBADRM CCOC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC12COC2 ZINC000422932781 485050491 /nfs/dbraw/zinc/05/04/91/485050491.db2.gz GUYAGWWNCCLXEY-BDJLRTHQSA-N -1 0 368.386 -0.652 20 0 FBADRM CCOC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CC12COC2 ZINC000422932783 485050709 /nfs/dbraw/zinc/05/07/09/485050709.db2.gz GUYAGWWNCCLXEY-BZNIZROVSA-N -1 0 368.386 -0.652 20 0 FBADRM CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC12COC2 ZINC000422932786 485050378 /nfs/dbraw/zinc/05/03/78/485050378.db2.gz GUYAGWWNCCLXEY-MEDUHNTESA-N -1 0 368.386 -0.652 20 0 FBADRM CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CC12COC2 ZINC000422932788 485050664 /nfs/dbraw/zinc/05/06/64/485050664.db2.gz GUYAGWWNCCLXEY-ZBEGNZNMSA-N -1 0 368.386 -0.652 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)N1CCN(CC(F)(F)F)C(=O)C1)C(=O)[O-] ZINC000422933434 485050037 /nfs/dbraw/zinc/05/00/37/485050037.db2.gz HPWUYKSFXWFEDO-MRVPVSSYSA-N -1 0 353.297 -0.601 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCN(CC(F)(F)F)C(=O)C1)C(=O)[O-] ZINC000422933435 485050953 /nfs/dbraw/zinc/05/09/53/485050953.db2.gz HPWUYKSFXWFEDO-QMMMGPOBSA-N -1 0 353.297 -0.601 20 0 FBADRM CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC12COC2 ZINC000422935243 485050447 /nfs/dbraw/zinc/05/04/47/485050447.db2.gz DMJBRPUWIBCCNK-NEPJUHHUSA-N -1 0 368.386 -0.652 20 0 FBADRM CCOC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CC12COC2 ZINC000422935244 485050844 /nfs/dbraw/zinc/05/08/44/485050844.db2.gz DMJBRPUWIBCCNK-NWDGAFQWSA-N -1 0 368.386 -0.652 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000422935702 485050457 /nfs/dbraw/zinc/05/04/57/485050457.db2.gz HLETWUBYWFFCEA-UHFFFAOYSA-N -1 0 363.370 -0.390 20 0 FBADRM CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CC12COC2 ZINC000422935739 485050870 /nfs/dbraw/zinc/05/08/70/485050870.db2.gz DMJBRPUWIBCCNK-RYUDHWBXSA-N -1 0 368.386 -0.652 20 0 FBADRM CCOC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC12COC2 ZINC000422935740 485050689 /nfs/dbraw/zinc/05/06/89/485050689.db2.gz DMJBRPUWIBCCNK-VXGBXAGGSA-N -1 0 368.386 -0.652 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)C1 ZINC000422936430 485050835 /nfs/dbraw/zinc/05/08/35/485050835.db2.gz MLRPRTZOPBRIMB-CYBMUJFWSA-N -1 0 365.308 -0.457 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)C1 ZINC000422936539 485050111 /nfs/dbraw/zinc/05/01/11/485050111.db2.gz MLRPRTZOPBRIMB-ZDUSSCGKSA-N -1 0 365.308 -0.457 20 0 FBADRM CCOC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)CC12COC2 ZINC000422937630 485050983 /nfs/dbraw/zinc/05/09/83/485050983.db2.gz OMZWKVVIIIPQBD-IJLUTSLNSA-N -1 0 368.386 -0.796 20 0 FBADRM CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)CC12COC2 ZINC000422937631 485050821 /nfs/dbraw/zinc/05/08/21/485050821.db2.gz OMZWKVVIIIPQBD-UTUOFQBUSA-N -1 0 368.386 -0.796 20 0 FBADRM COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000422938365 485049926 /nfs/dbraw/zinc/04/99/26/485049926.db2.gz PMABAHDOMXMZOE-CVEARBPZSA-N -1 0 356.375 -0.652 20 0 FBADRM COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000422938366 485050082 /nfs/dbraw/zinc/05/00/82/485050082.db2.gz PMABAHDOMXMZOE-HOTGVXAUSA-N -1 0 356.375 -0.652 20 0 FBADRM COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000422938367 485050589 /nfs/dbraw/zinc/05/05/89/485050589.db2.gz PMABAHDOMXMZOE-HZPDHXFCSA-N -1 0 356.375 -0.652 20 0 FBADRM COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000422938368 485050751 /nfs/dbraw/zinc/05/07/51/485050751.db2.gz PMABAHDOMXMZOE-JKSUJKDBSA-N -1 0 356.375 -0.652 20 0 FBADRM CN(CCCC(=O)[O-])C(=O)C(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000422939040 485050878 /nfs/dbraw/zinc/05/08/78/485050878.db2.gz HQCUNRKEGJKONU-GOSISDBHSA-N -1 0 361.398 -0.035 20 0 FBADRM CN(CCCC(=O)[O-])C(=O)C(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000422939053 485050759 /nfs/dbraw/zinc/05/07/59/485050759.db2.gz HQCUNRKEGJKONU-SFHVURJKSA-N -1 0 361.398 -0.035 20 0 FBADRM CCOC(=O)[C@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CC12COC2 ZINC000422939171 485049965 /nfs/dbraw/zinc/04/99/65/485049965.db2.gz QVXGLQPIFGWHBA-GHMZBOCLSA-N -1 0 356.375 -0.796 20 0 FBADRM CCOC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CC12COC2 ZINC000422939173 485050657 /nfs/dbraw/zinc/05/06/57/485050657.db2.gz QVXGLQPIFGWHBA-MNOVXSKESA-N -1 0 356.375 -0.796 20 0 FBADRM CCOC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC12COC2 ZINC000422939175 485050612 /nfs/dbraw/zinc/05/06/12/485050612.db2.gz QVXGLQPIFGWHBA-QWRGUYRKSA-N -1 0 356.375 -0.796 20 0 FBADRM CCOC(=O)[C@H]1CN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC12COC2 ZINC000422939177 485050292 /nfs/dbraw/zinc/05/02/92/485050292.db2.gz QVXGLQPIFGWHBA-WDEREUQCSA-N -1 0 356.375 -0.796 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)C1 ZINC000422940501 485050216 /nfs/dbraw/zinc/05/02/16/485050216.db2.gz SXAGHIISZYXAKI-MOPGFXCFSA-N -1 0 373.409 -0.035 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)C1 ZINC000422940504 485050350 /nfs/dbraw/zinc/05/03/50/485050350.db2.gz SXAGHIISZYXAKI-OALUTQOASA-N -1 0 373.409 -0.035 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)C1 ZINC000422940506 485050884 /nfs/dbraw/zinc/05/08/84/485050884.db2.gz SXAGHIISZYXAKI-RBUKOAKNSA-N -1 0 373.409 -0.035 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)C1 ZINC000422940507 485050478 /nfs/dbraw/zinc/05/04/78/485050478.db2.gz SXAGHIISZYXAKI-RTBURBONSA-N -1 0 373.409 -0.035 20 0 FBADRM CN(C)C(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000422940659 485050796 /nfs/dbraw/zinc/05/07/96/485050796.db2.gz TWOISONMUYLBAN-BDJLRTHQSA-N -1 0 354.407 -0.428 20 0 FBADRM CN(C)C(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000422940660 485050437 /nfs/dbraw/zinc/05/04/37/485050437.db2.gz TWOISONMUYLBAN-BZNIZROVSA-N -1 0 354.407 -0.428 20 0 FBADRM CN(C)C(=O)N[C@H]1CCCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000422940661 485050742 /nfs/dbraw/zinc/05/07/42/485050742.db2.gz TWOISONMUYLBAN-MEDUHNTESA-N -1 0 354.407 -0.428 20 0 FBADRM CN(C)C(=O)N[C@H]1CCCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000422940662 485050598 /nfs/dbraw/zinc/05/05/98/485050598.db2.gz TWOISONMUYLBAN-ZBEGNZNMSA-N -1 0 354.407 -0.428 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)N1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC000422941699 485050893 /nfs/dbraw/zinc/05/08/93/485050893.db2.gz VLIYISLWTGTMCO-BNOWGMLFSA-N -1 0 361.398 -0.107 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)N1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC000422941700 485050573 /nfs/dbraw/zinc/05/05/73/485050573.db2.gz VLIYISLWTGTMCO-YUTCNCBUSA-N -1 0 361.398 -0.107 20 0 FBADRM COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000422941863 485050511 /nfs/dbraw/zinc/05/05/11/485050511.db2.gz VTXCBISBMZKMFF-GLKRBJQHSA-N -1 0 356.375 -0.796 20 0 FBADRM COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000422941864 485050990 /nfs/dbraw/zinc/05/09/90/485050990.db2.gz VTXCBISBMZKMFF-UVWXRNBGSA-N -1 0 356.375 -0.796 20 0 FBADRM COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)C1 ZINC000422942225 485050167 /nfs/dbraw/zinc/05/01/67/485050167.db2.gz JDELWOXNEIQUMF-JKDFXYPNSA-N -1 0 370.402 -0.406 20 0 FBADRM COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)C1 ZINC000422942226 485050702 /nfs/dbraw/zinc/05/07/02/485050702.db2.gz JDELWOXNEIQUMF-PEBVRCNWSA-N -1 0 370.402 -0.406 20 0 FBADRM COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)C1 ZINC000422942227 485050956 /nfs/dbraw/zinc/05/09/56/485050956.db2.gz JDELWOXNEIQUMF-PRXAMGSTSA-N -1 0 370.402 -0.406 20 0 FBADRM COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)C1 ZINC000422942228 485050556 /nfs/dbraw/zinc/05/05/56/485050556.db2.gz JDELWOXNEIQUMF-QFSBIZTOSA-N -1 0 370.402 -0.406 20 0 FBADRM CN(C[C@H](O)COCc1ccccc1)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000422942363 485050094 /nfs/dbraw/zinc/05/00/94/485050094.db2.gz PMAVXKXIMKWAIM-CABCVRRESA-N -1 0 364.398 -0.044 20 0 FBADRM CN(C[C@H](O)COCc1ccccc1)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000422942364 485050534 /nfs/dbraw/zinc/05/05/34/485050534.db2.gz PMAVXKXIMKWAIM-GJZGRUSLSA-N -1 0 364.398 -0.044 20 0 FBADRM CN(C[C@@H](O)COCc1ccccc1)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000422942365 485050730 /nfs/dbraw/zinc/05/07/30/485050730.db2.gz PMAVXKXIMKWAIM-HUUCEWRRSA-N -1 0 364.398 -0.044 20 0 FBADRM CN(C[C@@H](O)COCc1ccccc1)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000422942366 485050137 /nfs/dbraw/zinc/05/01/37/485050137.db2.gz PMAVXKXIMKWAIM-LSDHHAIUSA-N -1 0 364.398 -0.044 20 0 FBADRM CN(CCCC(=O)[O-])C(=O)C(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000422942514 485050274 /nfs/dbraw/zinc/05/02/74/485050274.db2.gz KNJCFGZQFBBHRE-UHFFFAOYSA-N -1 0 353.297 -0.457 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)C1 ZINC000422942607 485050813 /nfs/dbraw/zinc/05/08/13/485050813.db2.gz JJSUVNKWODAASO-KKOKHZNYSA-N -1 0 360.432 -0.410 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)C1 ZINC000422942608 485050622 /nfs/dbraw/zinc/05/06/22/485050622.db2.gz JJSUVNKWODAASO-RHYQMDGZSA-N -1 0 360.432 -0.410 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)C1 ZINC000422942609 485051548 /nfs/dbraw/zinc/05/15/48/485051548.db2.gz JJSUVNKWODAASO-WISYIIOYSA-N -1 0 360.432 -0.410 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)C1 ZINC000422942610 485051414 /nfs/dbraw/zinc/05/14/14/485051414.db2.gz JJSUVNKWODAASO-WYUUTHIRSA-N -1 0 360.432 -0.410 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)C1 ZINC000422943163 485051507 /nfs/dbraw/zinc/05/15/07/485051507.db2.gz QJQWSJHWLVJOOB-SECBINFHSA-N -1 0 365.308 -0.457 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)C1 ZINC000422943164 485052055 /nfs/dbraw/zinc/05/20/55/485052055.db2.gz QJQWSJHWLVJOOB-VIFPVBQESA-N -1 0 365.308 -0.457 20 0 FBADRM CCC1(CC)CN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CCS1(=O)=O ZINC000422943809 485051687 /nfs/dbraw/zinc/05/16/87/485051687.db2.gz YQRZAQPNHWZKNW-LLVKDONJSA-N -1 0 362.448 -0.019 20 0 FBADRM CCC1(CC)CN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CCS1(=O)=O ZINC000422943810 485051981 /nfs/dbraw/zinc/05/19/81/485051981.db2.gz YQRZAQPNHWZKNW-NSHDSACASA-N -1 0 362.448 -0.019 20 0 FBADRM COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000422944093 485052223 /nfs/dbraw/zinc/05/22/23/485052223.db2.gz RMXLUUFQYUJCKQ-BDJLRTHQSA-N -1 0 356.375 -0.652 20 0 FBADRM COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000422944094 485051524 /nfs/dbraw/zinc/05/15/24/485051524.db2.gz RMXLUUFQYUJCKQ-BZNIZROVSA-N -1 0 356.375 -0.652 20 0 FBADRM COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000422944095 485052153 /nfs/dbraw/zinc/05/21/53/485052153.db2.gz RMXLUUFQYUJCKQ-MEDUHNTESA-N -1 0 356.375 -0.652 20 0 FBADRM COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000422944096 485051742 /nfs/dbraw/zinc/05/17/42/485051742.db2.gz RMXLUUFQYUJCKQ-ZBEGNZNMSA-N -1 0 356.375 -0.652 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N(C)C[C@H](O)COCc1ccccc1 ZINC000422945357 485052162 /nfs/dbraw/zinc/05/21/62/485052162.db2.gz UGCDUHYWSRKBHO-AWEZNQCLSA-N -1 0 352.387 -0.044 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N(C)C[C@@H](O)COCc1ccccc1 ZINC000422945358 485051908 /nfs/dbraw/zinc/05/19/08/485051908.db2.gz UGCDUHYWSRKBHO-CQSZACIVSA-N -1 0 352.387 -0.044 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)C[C@@H](C)S1(=O)=O ZINC000422945941 485052062 /nfs/dbraw/zinc/05/20/62/485052062.db2.gz NXYOSQKADDAFJQ-FDYHWXHSSA-N -1 0 374.459 -0.020 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)C[C@@H](C)S1(=O)=O ZINC000422945942 485052021 /nfs/dbraw/zinc/05/20/21/485052021.db2.gz NXYOSQKADDAFJQ-FVCCEPFGSA-N -1 0 374.459 -0.020 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)C[C@H](C)S1(=O)=O ZINC000422945943 485052048 /nfs/dbraw/zinc/05/20/48/485052048.db2.gz NXYOSQKADDAFJQ-MROQNXINSA-N -1 0 374.459 -0.020 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)C[C@H](C)S1(=O)=O ZINC000422945944 485052071 /nfs/dbraw/zinc/05/20/71/485052071.db2.gz NXYOSQKADDAFJQ-YVECIDJPSA-N -1 0 374.459 -0.020 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@H](NC(=O)N(C)C)C2)C1 ZINC000422946310 485051942 /nfs/dbraw/zinc/05/19/42/485051942.db2.gz OVKFYACGPNTYNK-AGIUHOORSA-N -1 0 368.434 -0.182 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)C1 ZINC000422946311 485051935 /nfs/dbraw/zinc/05/19/35/485051935.db2.gz OVKFYACGPNTYNK-FRRDWIJNSA-N -1 0 368.434 -0.182 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)C1 ZINC000422946312 485051794 /nfs/dbraw/zinc/05/17/94/485051794.db2.gz OVKFYACGPNTYNK-JHJVBQTASA-N -1 0 368.434 -0.182 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@H](NC(=O)N(C)C)C2)C1 ZINC000422946313 485051536 /nfs/dbraw/zinc/05/15/36/485051536.db2.gz OVKFYACGPNTYNK-UPJWGTAASA-N -1 0 368.434 -0.182 20 0 FBADRM CCOC(=O)[C@H]1CN(C(=O)C(=O)N(C)CCCC(=O)[O-])CC12COC2 ZINC000422946498 485052231 /nfs/dbraw/zinc/05/22/31/485052231.db2.gz OXUICEDGJKXPCR-LLVKDONJSA-N -1 0 356.375 -0.652 20 0 FBADRM CCOC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CCCC(=O)[O-])CC12COC2 ZINC000422946499 485051822 /nfs/dbraw/zinc/05/18/22/485051822.db2.gz OXUICEDGJKXPCR-NSHDSACASA-N -1 0 356.375 -0.652 20 0 FBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)CC1 ZINC000422947052 485052122 /nfs/dbraw/zinc/05/21/22/485052122.db2.gz PPSGKOWQVVCTKR-UHFFFAOYSA-N -1 0 365.308 -0.457 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000422948706 485051786 /nfs/dbraw/zinc/05/17/86/485051786.db2.gz SPAUTAZIESTIOY-GHMZBOCLSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000422948707 485051477 /nfs/dbraw/zinc/05/14/77/485051477.db2.gz SPAUTAZIESTIOY-MNOVXSKESA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000422948708 485052354 /nfs/dbraw/zinc/05/23/54/485052354.db2.gz SPAUTAZIESTIOY-QWRGUYRKSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000422948709 485051676 /nfs/dbraw/zinc/05/16/76/485051676.db2.gz SPAUTAZIESTIOY-WDEREUQCSA-N -1 0 360.432 -0.409 20 0 FBADRM CCOC(=O)[C@H]1CN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)CC12COC2 ZINC000422949069 485051575 /nfs/dbraw/zinc/05/15/75/485051575.db2.gz SQEYCSDKRAYXCD-GFCCVEGCSA-N -1 0 368.386 -0.652 20 0 FBADRM CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)CC12COC2 ZINC000422949070 485051970 /nfs/dbraw/zinc/05/19/70/485051970.db2.gz SQEYCSDKRAYXCD-LBPRGKRZSA-N -1 0 368.386 -0.652 20 0 FBADRM O=C(c1cc(F)c([O-])c(F)c1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000424038028 485133028 /nfs/dbraw/zinc/13/30/28/485133028.db2.gz HPUNPGLZFXXPLU-UHFFFAOYSA-N -1 0 361.370 -0.270 20 0 FBADRM O=C(Cn1ccc([N-]S(=O)(=O)CCOCC2CC2)n1)N1CCOCC1 ZINC000424061506 485135313 /nfs/dbraw/zinc/13/53/13/485135313.db2.gz JDZDZEQGUJCWKM-UHFFFAOYSA-N -1 0 372.447 -0.090 20 0 FBADRM CC[C@H](CS(=O)(=O)[N-]c1cc(C(N)=O)ccc1S(N)(=O)=O)OC ZINC000424211334 485168994 /nfs/dbraw/zinc/16/89/94/485168994.db2.gz JXCMJWCSVKNHKK-SECBINFHSA-N -1 0 365.433 -0.400 20 0 FBADRM CC[C@@H](CS(=O)(=O)[N-]c1cc(C(N)=O)ccc1S(N)(=O)=O)OC ZINC000424211337 485168972 /nfs/dbraw/zinc/16/89/72/485168972.db2.gz JXCMJWCSVKNHKK-VIFPVBQESA-N -1 0 365.433 -0.400 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(CS(=O)(=O)c2n[nH]c(=O)[n-]2)s1 ZINC000424212168 485168893 /nfs/dbraw/zinc/16/88/93/485168893.db2.gz ZTGWYWKJGXNTQR-UHFFFAOYSA-N -1 0 352.419 -0.204 20 0 FBADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2c[nH]c(C(=O)OC)c2)n1 ZINC000424220303 485170145 /nfs/dbraw/zinc/17/01/45/485170145.db2.gz HONMXBUTUUBHOE-UHFFFAOYSA-N -1 0 357.348 -0.243 20 0 FBADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)OC)n(C)c2)n1 ZINC000424220765 485169938 /nfs/dbraw/zinc/16/99/38/485169938.db2.gz JELPAXFWMQWNKO-UHFFFAOYSA-N -1 0 371.375 -0.233 20 0 FBADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2cnn(CC(=O)OC)c2)n1 ZINC000424221725 485170105 /nfs/dbraw/zinc/17/01/05/485170105.db2.gz LHACAJDJQHDXOZ-UHFFFAOYSA-N -1 0 372.363 -0.989 20 0 FBADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)n1 ZINC000424223129 485169862 /nfs/dbraw/zinc/16/98/62/485169862.db2.gz OVRBLKBCFBZQMJ-UHFFFAOYSA-N -1 0 356.364 -0.921 20 0 FBADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2cnn(CCOC)c2)n1 ZINC000424224037 485170111 /nfs/dbraw/zinc/17/01/11/485170111.db2.gz RIEDVSMUVUEXGM-UHFFFAOYSA-N -1 0 358.380 -0.515 20 0 FBADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)NC)n(C)c2)n1 ZINC000424224429 485169983 /nfs/dbraw/zinc/16/99/83/485169983.db2.gz SJQXMQORKGAQIF-UHFFFAOYSA-N -1 0 370.391 -0.660 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)NCCC(C)(C)C(=O)[O-])c(=O)n2C ZINC000424224455 485170023 /nfs/dbraw/zinc/17/00/23/485170023.db2.gz AQSAPUBFOZLHDI-UHFFFAOYSA-N -1 0 351.363 -0.949 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)c1cccc2c1OCC(=O)N2 ZINC000424225461 485170130 /nfs/dbraw/zinc/17/01/30/485170130.db2.gz CPGQFIDTICRLHB-SECBINFHSA-N -1 0 359.298 -0.576 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)c1cccc2c1OCC(=O)N2 ZINC000424225660 485169834 /nfs/dbraw/zinc/16/98/34/485169834.db2.gz CPGQFIDTICRLHB-VIFPVBQESA-N -1 0 359.298 -0.576 20 0 FBADRM Cn1c2ncn(CC(=O)NCCC(C)(C)C(=O)[O-])c2c(=O)n(C)c1=O ZINC000424227589 485169647 /nfs/dbraw/zinc/16/96/47/485169647.db2.gz GQYGYAFHWDNQMA-UHFFFAOYSA-N -1 0 351.363 -0.949 20 0 FBADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)OC)nc2)n1 ZINC000424227694 485169663 /nfs/dbraw/zinc/16/96/63/485169663.db2.gz ZORQAQFDTUHLDE-UHFFFAOYSA-N -1 0 369.359 -0.176 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000424228403 485171174 /nfs/dbraw/zinc/17/11/74/485171174.db2.gz IDFONGILXKCREP-GXSJLCMTSA-N -1 0 357.326 -0.095 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000424228405 485171305 /nfs/dbraw/zinc/17/13/05/485171305.db2.gz IDFONGILXKCREP-KOLCDFICSA-N -1 0 357.326 -0.095 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000424228406 485170894 /nfs/dbraw/zinc/17/08/94/485170894.db2.gz IDFONGILXKCREP-MWLCHTKSSA-N -1 0 357.326 -0.095 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000424228407 485171118 /nfs/dbraw/zinc/17/11/18/485171118.db2.gz IDFONGILXKCREP-ONGXEEELSA-N -1 0 357.326 -0.095 20 0 FBADRM Cn1c2c(ccn2CC(=O)NCCC(C)(C)C(=O)[O-])c(=O)n(C)c1=O ZINC000424230272 485171386 /nfs/dbraw/zinc/17/13/86/485171386.db2.gz LSMSSMYXBUTDRV-UHFFFAOYSA-N -1 0 350.375 -0.344 20 0 FBADRM C[C@H](CC(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-])N1CCCCC1=O ZINC000424230275 485171274 /nfs/dbraw/zinc/17/12/74/485171274.db2.gz LSNDNJYKZJKKEP-NXEZZACHSA-N -1 0 351.363 -0.430 20 0 FBADRM C[C@@H](CC(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-])N1CCCCC1=O ZINC000424230277 485171261 /nfs/dbraw/zinc/17/12/61/485171261.db2.gz LSNDNJYKZJKKEP-UWVGGRQHSA-N -1 0 351.363 -0.430 20 0 FBADRM C[C@@H](CC(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-])N1CCCCC1=O ZINC000424230280 485171185 /nfs/dbraw/zinc/17/11/85/485171185.db2.gz LSNDNJYKZJKKEP-VHSXEESVSA-N -1 0 351.363 -0.430 20 0 FBADRM C[C@H](CC(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-])N1CCCCC1=O ZINC000424230283 485171205 /nfs/dbraw/zinc/17/12/05/485171205.db2.gz LSNDNJYKZJKKEP-ZJUUUORDSA-N -1 0 351.363 -0.430 20 0 FBADRM CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424230778 485169809 /nfs/dbraw/zinc/16/98/09/485169809.db2.gz MGKOBPHJFVJQLL-UHFFFAOYSA-N -1 0 365.452 -0.562 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Cn2nnc(-c3ccccc3)n2)CCS1(=O)=O ZINC000424231192 484345057 /nfs/dbraw/zinc/34/50/57/484345057.db2.gz AVJDOPPPMZJNEZ-LLVKDONJSA-N -1 0 365.371 -0.950 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2nnc(-c3ccccc3)n2)CCS1(=O)=O ZINC000424231194 484344866 /nfs/dbraw/zinc/34/48/66/484344866.db2.gz AVJDOPPPMZJNEZ-NSHDSACASA-N -1 0 365.371 -0.950 20 0 FBADRM COC(=O)COc1cccc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424231198 485171054 /nfs/dbraw/zinc/17/10/54/485171054.db2.gz AVLIMYPOOXESOX-GFCCVEGCSA-N -1 0 371.367 -0.438 20 0 FBADRM COC(=O)COc1cccc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424231199 485171238 /nfs/dbraw/zinc/17/12/38/485171238.db2.gz AVLIMYPOOXESOX-LBPRGKRZSA-N -1 0 371.367 -0.438 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)CCS1(=O)=O ZINC000424231632 484345288 /nfs/dbraw/zinc/34/52/88/484345288.db2.gz BIOHDWXEJWKULM-LLVKDONJSA-N -1 0 350.356 -0.409 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)CCS1(=O)=O ZINC000424231634 484344952 /nfs/dbraw/zinc/34/49/52/484344952.db2.gz BIOHDWXEJWKULM-NSHDSACASA-N -1 0 350.356 -0.409 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)COCCOc2ccccc2)CCS1(=O)=O ZINC000424231671 484344709 /nfs/dbraw/zinc/34/47/09/484344709.db2.gz BKHRDBGXCSORTG-CYBMUJFWSA-N -1 0 357.384 -0.208 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)COCCOc2ccccc2)CCS1(=O)=O ZINC000424231674 484344351 /nfs/dbraw/zinc/34/43/51/484344351.db2.gz BKHRDBGXCSORTG-ZDUSSCGKSA-N -1 0 357.384 -0.208 20 0 FBADRM CCC[C@H](C)N1C[C@H](C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1=O ZINC000424231680 484344526 /nfs/dbraw/zinc/34/45/26/484344526.db2.gz BLWQTUYWFHIKDA-QJPTWQEYSA-N -1 0 360.432 -0.266 20 0 FBADRM CCC[C@H](C)N1C[C@@H](C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1=O ZINC000424231683 484345162 /nfs/dbraw/zinc/34/51/62/484345162.db2.gz BLWQTUYWFHIKDA-SDDRHHMPSA-N -1 0 360.432 -0.266 20 0 FBADRM CCC[C@H](C)N1C[C@@H](C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1=O ZINC000424231686 484345098 /nfs/dbraw/zinc/34/50/98/484345098.db2.gz BLWQTUYWFHIKDA-SRVKXCTJSA-N -1 0 360.432 -0.266 20 0 FBADRM CCC[C@H](C)N1C[C@H](C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1=O ZINC000424231687 484344125 /nfs/dbraw/zinc/34/41/25/484344125.db2.gz BLWQTUYWFHIKDA-TUAOUCFPSA-N -1 0 360.432 -0.266 20 0 FBADRM CNC(=O)c1cccc(CCC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424231736 484344651 /nfs/dbraw/zinc/34/46/51/484344651.db2.gz BNOINSXUNDXFEG-CYBMUJFWSA-N -1 0 368.411 -0.311 20 0 FBADRM CNC(=O)c1cccc(CCC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424231738 484344985 /nfs/dbraw/zinc/34/49/85/484344985.db2.gz BNOINSXUNDXFEG-ZDUSSCGKSA-N -1 0 368.411 -0.311 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Cn2cc(-c3ccccc3)nn2)CCS1(=O)=O ZINC000424231743 484344213 /nfs/dbraw/zinc/34/42/13/484344213.db2.gz BNTOHQGCNVEUMZ-CYBMUJFWSA-N -1 0 364.383 -0.345 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2cc(-c3ccccc3)nn2)CCS1(=O)=O ZINC000424231746 484344478 /nfs/dbraw/zinc/34/44/78/484344478.db2.gz BNTOHQGCNVEUMZ-ZDUSSCGKSA-N -1 0 364.383 -0.345 20 0 FBADRM C[C@@H](CC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)NC(=O)C1CCCC1 ZINC000424232076 484345157 /nfs/dbraw/zinc/34/51/57/484345157.db2.gz BSTFPJLYRAMSFO-CMPLNLGQSA-N -1 0 360.432 -0.218 20 0 FBADRM C[C@@H](CC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)NC(=O)C1CCCC1 ZINC000424232080 484344506 /nfs/dbraw/zinc/34/45/06/484344506.db2.gz BSTFPJLYRAMSFO-JQWIXIFHSA-N -1 0 360.432 -0.218 20 0 FBADRM C[C@H](CC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)NC(=O)C1CCCC1 ZINC000424232082 484344519 /nfs/dbraw/zinc/34/45/19/484344519.db2.gz BSTFPJLYRAMSFO-PWSUYJOCSA-N -1 0 360.432 -0.218 20 0 FBADRM C[C@H](CC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)NC(=O)C1CCCC1 ZINC000424232086 484344280 /nfs/dbraw/zinc/34/42/80/484344280.db2.gz BSTFPJLYRAMSFO-ZYHUDNBSSA-N -1 0 360.432 -0.218 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CCCNC(=O)c2ccsc2)CCS1(=O)=O ZINC000424232125 484344485 /nfs/dbraw/zinc/34/44/85/484344485.db2.gz BUIPOYDBUIYPGW-LLVKDONJSA-N -1 0 374.440 -0.032 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CCCNC(=O)c2ccsc2)CCS1(=O)=O ZINC000424232126 484344720 /nfs/dbraw/zinc/34/47/20/484344720.db2.gz BUIPOYDBUIYPGW-NSHDSACASA-N -1 0 374.440 -0.032 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CCS1(=O)=O ZINC000424232339 484344676 /nfs/dbraw/zinc/34/46/76/484344676.db2.gz CBYVDCZRXYSTTG-CMPLNLGQSA-N -1 0 370.383 -0.662 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CCS1(=O)=O ZINC000424232341 484345070 /nfs/dbraw/zinc/34/50/70/484345070.db2.gz CBYVDCZRXYSTTG-JQWIXIFHSA-N -1 0 370.383 -0.662 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CCS1(=O)=O ZINC000424232342 484345233 /nfs/dbraw/zinc/34/52/33/484345233.db2.gz CBYVDCZRXYSTTG-PWSUYJOCSA-N -1 0 370.383 -0.662 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CCS1(=O)=O ZINC000424232343 484344731 /nfs/dbraw/zinc/34/47/31/484344731.db2.gz CBYVDCZRXYSTTG-ZYHUDNBSSA-N -1 0 370.383 -0.662 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccccc2N2CCOCC2)CCS1(=O)=O ZINC000424232358 484344837 /nfs/dbraw/zinc/34/48/37/484344837.db2.gz CDURVERCMSCCLD-AWEZNQCLSA-N -1 0 368.411 -0.153 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2ccccc2N2CCOCC2)CCS1(=O)=O ZINC000424232359 484344767 /nfs/dbraw/zinc/34/47/67/484344767.db2.gz CDURVERCMSCCLD-CQSZACIVSA-N -1 0 368.411 -0.153 20 0 FBADRM COc1ccc(CC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1OC ZINC000424232457 484344313 /nfs/dbraw/zinc/34/43/13/484344313.db2.gz CGLXEEQMVYSPCD-CYBMUJFWSA-N -1 0 357.384 -0.044 20 0 FBADRM COc1ccc(CC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1OC ZINC000424232459 484344689 /nfs/dbraw/zinc/34/46/89/484344689.db2.gz CGLXEEQMVYSPCD-ZDUSSCGKSA-N -1 0 357.384 -0.044 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CNC(=O)c2cccc(F)c2)CCS1(=O)=O ZINC000424232759 484344264 /nfs/dbraw/zinc/34/42/64/484344264.db2.gz CONGGJOONQEVBJ-LLVKDONJSA-N -1 0 358.347 -0.734 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CNC(=O)c2cccc(F)c2)CCS1(=O)=O ZINC000424232767 484344961 /nfs/dbraw/zinc/34/49/61/484344961.db2.gz CONGGJOONQEVBJ-NSHDSACASA-N -1 0 358.347 -0.734 20 0 FBADRM Cc1[nH]nc2nc(C)cc(C(=O)N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)c12 ZINC000424233015 484344920 /nfs/dbraw/zinc/34/49/20/484344920.db2.gz CXKPYDWTCFRKLQ-JTQLQIEISA-N -1 0 352.372 -0.101 20 0 FBADRM Cc1[nH]nc2nc(C)cc(C(=O)N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)c12 ZINC000424233023 484345113 /nfs/dbraw/zinc/34/51/13/484345113.db2.gz CXKPYDWTCFRKLQ-SNVBAGLBSA-N -1 0 352.372 -0.101 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CN2C(=O)CCc3ccccc32)CCS1(=O)=O ZINC000424233037 484344858 /nfs/dbraw/zinc/34/48/58/484344858.db2.gz CXMZYOLCGSVVOU-CYBMUJFWSA-N -1 0 366.395 -0.324 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CN2C(=O)CCc3ccccc32)CCS1(=O)=O ZINC000424233042 484344883 /nfs/dbraw/zinc/34/48/83/484344883.db2.gz CXMZYOLCGSVVOU-ZDUSSCGKSA-N -1 0 366.395 -0.324 20 0 FBADRM C[C@@H](CC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)NC(=O)c1ccccc1 ZINC000424233250 484345223 /nfs/dbraw/zinc/34/52/23/484345223.db2.gz DDRFLGMHAJITMW-AAEUAGOBSA-N -1 0 368.411 -0.095 20 0 FBADRM C[C@H](CC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)NC(=O)c1ccccc1 ZINC000424233254 484344998 /nfs/dbraw/zinc/34/49/98/484344998.db2.gz DDRFLGMHAJITMW-DGCLKSJQSA-N -1 0 368.411 -0.095 20 0 FBADRM C[C@@H](CC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)NC(=O)c1ccccc1 ZINC000424233258 484345027 /nfs/dbraw/zinc/34/50/27/484345027.db2.gz DDRFLGMHAJITMW-WCQYABFASA-N -1 0 368.411 -0.095 20 0 FBADRM C[C@H](CC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)NC(=O)c1ccccc1 ZINC000424233263 484345335 /nfs/dbraw/zinc/34/53/35/484345335.db2.gz DDRFLGMHAJITMW-YPMHNXCESA-N -1 0 368.411 -0.095 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CCCNC(=O)c2ccccc2)CCS1(=O)=O ZINC000424233378 484344197 /nfs/dbraw/zinc/34/41/97/484344197.db2.gz DFLBTIZMONZTKZ-CYBMUJFWSA-N -1 0 368.411 -0.093 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CCCNC(=O)c2ccccc2)CCS1(=O)=O ZINC000424233384 484344943 /nfs/dbraw/zinc/34/49/43/484344943.db2.gz DFLBTIZMONZTKZ-ZDUSSCGKSA-N -1 0 368.411 -0.093 20 0 FBADRM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424233389 484344814 /nfs/dbraw/zinc/34/48/14/484344814.db2.gz DFYVCRIUVITCDL-NOZJJQNGSA-N -1 0 357.432 -0.074 20 0 FBADRM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424233398 484344441 /nfs/dbraw/zinc/34/44/41/484344441.db2.gz DFYVCRIUVITCDL-RNCFNFMXSA-N -1 0 357.432 -0.074 20 0 FBADRM Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424233402 484344449 /nfs/dbraw/zinc/34/44/49/484344449.db2.gz DFYVCRIUVITCDL-TVQRCGJNSA-N -1 0 357.432 -0.074 20 0 FBADRM Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424233408 484344974 /nfs/dbraw/zinc/34/49/74/484344974.db2.gz DFYVCRIUVITCDL-ZANVPECISA-N -1 0 357.432 -0.074 20 0 FBADRM CC(=O)N[C@@H](CC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000424233671 484346076 /nfs/dbraw/zinc/34/60/76/484346076.db2.gz DMGFSSIQJPYUFH-KBPBESRZSA-N -1 0 368.411 -0.036 20 0 FBADRM CC(=O)N[C@H](CC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000424233676 484346054 /nfs/dbraw/zinc/34/60/54/484346054.db2.gz DMGFSSIQJPYUFH-KGLIPLIRSA-N -1 0 368.411 -0.036 20 0 FBADRM CC(=O)N[C@@H](CC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000424233678 484346750 /nfs/dbraw/zinc/34/67/50/484346750.db2.gz DMGFSSIQJPYUFH-UONOGXRCSA-N -1 0 368.411 -0.036 20 0 FBADRM CC(=O)N[C@H](CC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000424233680 484346652 /nfs/dbraw/zinc/34/66/52/484346652.db2.gz DMGFSSIQJPYUFH-ZIAGYGMSSA-N -1 0 368.411 -0.036 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CNC(=O)Cc2cccc(F)c2)CCS1(=O)=O ZINC000424233874 484346229 /nfs/dbraw/zinc/34/62/29/484346229.db2.gz DQWUCBVIQUPBNB-GFCCVEGCSA-N -1 0 372.374 -0.805 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CNC(=O)Cc2cccc(F)c2)CCS1(=O)=O ZINC000424233879 484346701 /nfs/dbraw/zinc/34/67/01/484346701.db2.gz DQWUCBVIQUPBNB-LBPRGKRZSA-N -1 0 372.374 -0.805 20 0 FBADRM CCC(CC)N1C[C@@H](C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1=O ZINC000424233888 484346628 /nfs/dbraw/zinc/34/66/28/484346628.db2.gz DRETXOVGGDYCGF-CMPLNLGQSA-N -1 0 360.432 -0.266 20 0 FBADRM CCC(CC)N1C[C@@H](C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1=O ZINC000424233890 484346445 /nfs/dbraw/zinc/34/64/45/484346445.db2.gz DRETXOVGGDYCGF-JQWIXIFHSA-N -1 0 360.432 -0.266 20 0 FBADRM CCC(CC)N1C[C@H](C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1=O ZINC000424233892 484346251 /nfs/dbraw/zinc/34/62/51/484346251.db2.gz DRETXOVGGDYCGF-PWSUYJOCSA-N -1 0 360.432 -0.266 20 0 FBADRM CCC(CC)N1C[C@H](C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1=O ZINC000424233895 484346261 /nfs/dbraw/zinc/34/62/61/484346261.db2.gz DRETXOVGGDYCGF-ZYHUDNBSSA-N -1 0 360.432 -0.266 20 0 FBADRM COc1ccc2c(c1)C[C@@H](C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)CO2 ZINC000424234043 484345048 /nfs/dbraw/zinc/34/50/48/484345048.db2.gz DYZBEVMZVCWJOK-BXUZGUMPSA-N -1 0 369.395 -0.044 20 0 FBADRM COc1ccc2c(c1)C[C@H](C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)CO2 ZINC000424234047 484345314 /nfs/dbraw/zinc/34/53/14/484345314.db2.gz DYZBEVMZVCWJOK-FZMZJTMJSA-N -1 0 369.395 -0.044 20 0 FBADRM COc1ccc2c(c1)C[C@@H](C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)CO2 ZINC000424234048 484345007 /nfs/dbraw/zinc/34/50/07/484345007.db2.gz DYZBEVMZVCWJOK-RISCZKNCSA-N -1 0 369.395 -0.044 20 0 FBADRM COc1ccc2c(c1)C[C@H](C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)CO2 ZINC000424234049 484344181 /nfs/dbraw/zinc/34/41/81/484344181.db2.gz DYZBEVMZVCWJOK-SMDDNHRTSA-N -1 0 369.395 -0.044 20 0 FBADRM Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424234408 484345281 /nfs/dbraw/zinc/34/52/81/484345281.db2.gz AFYGHVPZSJBTHN-LLVKDONJSA-N -1 0 366.399 -0.022 20 0 FBADRM Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424234409 484344606 /nfs/dbraw/zinc/34/46/06/484344606.db2.gz AFYGHVPZSJBTHN-NSHDSACASA-N -1 0 366.399 -0.022 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2c[nH]nc2-c2ccncc2)CCS1(=O)=O ZINC000424234477 484346014 /nfs/dbraw/zinc/34/60/14/484346014.db2.gz FBVLDKPTQDDUSQ-LLVKDONJSA-N -1 0 350.356 -0.205 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccncc2)CCS1(=O)=O ZINC000424234478 484345875 /nfs/dbraw/zinc/34/58/75/484345875.db2.gz FBVLDKPTQDDUSQ-NSHDSACASA-N -1 0 350.356 -0.205 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc32)CCS1(=O)=O ZINC000424234574 484345959 /nfs/dbraw/zinc/34/59/59/484345959.db2.gz FGHIBWUUFCCKSJ-LLVKDONJSA-N -1 0 353.356 -0.548 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc32)CCS1(=O)=O ZINC000424234577 484346222 /nfs/dbraw/zinc/34/62/22/484346222.db2.gz FGHIBWUUFCCKSJ-NSHDSACASA-N -1 0 353.356 -0.548 20 0 FBADRM COc1cccc(OC)c1CC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424234581 484345816 /nfs/dbraw/zinc/34/58/16/484345816.db2.gz FGZIUYHTAQSTHF-CYBMUJFWSA-N -1 0 357.384 -0.044 20 0 FBADRM COc1cccc(OC)c1CC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424234582 484346243 /nfs/dbraw/zinc/34/62/43/484346243.db2.gz FGZIUYHTAQSTHF-ZDUSSCGKSA-N -1 0 357.384 -0.044 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)CCn1c(=O)oc2ccccc21 ZINC000424234602 485171630 /nfs/dbraw/zinc/17/16/30/485171630.db2.gz DRKFCCASKWLDHQ-JTQLQIEISA-N -1 0 373.325 -0.223 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2ccc(F)cc2)CCS1(=O)=O ZINC000424234612 484345642 /nfs/dbraw/zinc/34/56/42/484345642.db2.gz FIFXCFBZWPOPBQ-LLVKDONJSA-N -1 0 358.347 -0.848 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2ccc(F)cc2)CCS1(=O)=O ZINC000424234617 484346490 /nfs/dbraw/zinc/34/64/90/484346490.db2.gz FIFXCFBZWPOPBQ-NSHDSACASA-N -1 0 358.347 -0.848 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)CCn1c(=O)oc2ccccc21 ZINC000424234618 485171637 /nfs/dbraw/zinc/17/16/37/485171637.db2.gz DRKFCCASKWLDHQ-SNVBAGLBSA-N -1 0 373.325 -0.223 20 0 FBADRM Cc1cccc(-n2cc(C(=O)N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)nn2)c1 ZINC000424234620 484346316 /nfs/dbraw/zinc/34/63/16/484346316.db2.gz FINBFRUSKCTQQF-CYBMUJFWSA-N -1 0 364.383 -0.100 20 0 FBADRM Cc1cccc(-n2cc(C(=O)N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)nn2)c1 ZINC000424234627 484345704 /nfs/dbraw/zinc/34/57/04/484345704.db2.gz FINBFRUSKCTQQF-ZDUSSCGKSA-N -1 0 364.383 -0.100 20 0 FBADRM CC(C)C(=O)N1CCCC[C@@H]1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424234727 484346433 /nfs/dbraw/zinc/34/64/33/484346433.db2.gz AJERMGHVSSUKSN-NEPJUHHUSA-N -1 0 360.432 -0.266 20 0 FBADRM CC(C)C(=O)N1CCCC[C@H]1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424234728 484346566 /nfs/dbraw/zinc/34/65/66/484346566.db2.gz AJERMGHVSSUKSN-NWDGAFQWSA-N -1 0 360.432 -0.266 20 0 FBADRM CC(C)C(=O)N1CCCC[C@H]1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424234729 484346066 /nfs/dbraw/zinc/34/60/66/484346066.db2.gz AJERMGHVSSUKSN-RYUDHWBXSA-N -1 0 360.432 -0.266 20 0 FBADRM CC(C)C(=O)N1CCCC[C@@H]1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424234730 484346542 /nfs/dbraw/zinc/34/65/42/484346542.db2.gz AJERMGHVSSUKSN-VXGBXAGGSA-N -1 0 360.432 -0.266 20 0 FBADRM CC(C)C[C@H](CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000424234854 485172325 /nfs/dbraw/zinc/17/23/25/485172325.db2.gz BGUURIQILZBHNO-AGIUHOORSA-N -1 0 374.459 -0.115 20 0 FBADRM CC(C)C[C@H](CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000424234857 485171978 /nfs/dbraw/zinc/17/19/78/485171978.db2.gz BGUURIQILZBHNO-FRRDWIJNSA-N -1 0 374.459 -0.115 20 0 FBADRM CC(C)C[C@H](CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000424234860 485172333 /nfs/dbraw/zinc/17/23/33/485172333.db2.gz BGUURIQILZBHNO-JHJVBQTASA-N -1 0 374.459 -0.115 20 0 FBADRM CC(C)C[C@H](CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000424234866 485171819 /nfs/dbraw/zinc/17/18/19/485171819.db2.gz BGUURIQILZBHNO-UPJWGTAASA-N -1 0 374.459 -0.115 20 0 FBADRM Cc1nn(CC(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c(C)c1Cl ZINC000424234919 485171856 /nfs/dbraw/zinc/17/18/56/485171856.db2.gz RNPMOOUCSRPUQA-MRVPVSSYSA-N -1 0 354.754 -0.054 20 0 FBADRM Cc1nn(CC(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c(C)c1Cl ZINC000424234929 485172095 /nfs/dbraw/zinc/17/20/95/485172095.db2.gz RNPMOOUCSRPUQA-QMMMGPOBSA-N -1 0 354.754 -0.054 20 0 FBADRM CC(C)C[C@@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000424235064 485172149 /nfs/dbraw/zinc/17/21/49/485172149.db2.gz BOVIGPSIGOVFKI-JTQLQIEISA-N -1 0 365.390 -0.703 20 0 FBADRM CC(C)C[C@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000424235073 485172106 /nfs/dbraw/zinc/17/21/06/485172106.db2.gz BOVIGPSIGOVFKI-SNVBAGLBSA-N -1 0 365.390 -0.703 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)Cn1cnc2ccccc2c1=O ZINC000424235284 485171739 /nfs/dbraw/zinc/17/17/39/485171739.db2.gz ROKLCAYWHKNONO-LLVKDONJSA-N -1 0 370.325 -0.811 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)Cn1cnc2ccccc2c1=O ZINC000424235286 485172147 /nfs/dbraw/zinc/17/21/47/485172147.db2.gz ROKLCAYWHKNONO-NSHDSACASA-N -1 0 370.325 -0.811 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CCCNC(=O)c2ccco2)CCS1(=O)=O ZINC000424235832 484346709 /nfs/dbraw/zinc/34/67/09/484346709.db2.gz GBOXCSZOQHCNTO-LLVKDONJSA-N -1 0 358.372 -0.500 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CCCNC(=O)c2ccco2)CCS1(=O)=O ZINC000424235837 484346111 /nfs/dbraw/zinc/34/61/11/484346111.db2.gz GBOXCSZOQHCNTO-NSHDSACASA-N -1 0 358.372 -0.500 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc3c(c2)OCC(=O)N3)CCS1(=O)=O ZINC000424235844 484346269 /nfs/dbraw/zinc/34/62/69/484346269.db2.gz GCPWIKFTGLVFBZ-LLVKDONJSA-N -1 0 354.340 -0.659 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2)OCC(=O)N3)CCS1(=O)=O ZINC000424235847 484345808 /nfs/dbraw/zinc/34/58/08/484345808.db2.gz GCPWIKFTGLVFBZ-NSHDSACASA-N -1 0 354.340 -0.659 20 0 FBADRM C[C@@H]1Oc2c(cccc2C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)NC1=O ZINC000424235873 484345887 /nfs/dbraw/zinc/34/58/87/484345887.db2.gz GHDHMEBZPRREAT-GZMMTYOYSA-N -1 0 368.367 -0.270 20 0 FBADRM C[C@H]1Oc2c(cccc2C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)NC1=O ZINC000424235876 484346047 /nfs/dbraw/zinc/34/60/47/484346047.db2.gz GHDHMEBZPRREAT-KCJUWKMLSA-N -1 0 368.367 -0.270 20 0 FBADRM C[C@@H]1Oc2c(cccc2C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)NC1=O ZINC000424235877 484345716 /nfs/dbraw/zinc/34/57/16/484345716.db2.gz GHDHMEBZPRREAT-KWQFWETISA-N -1 0 368.367 -0.270 20 0 FBADRM C[C@H]1Oc2c(cccc2C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)NC1=O ZINC000424235880 484345970 /nfs/dbraw/zinc/34/59/70/484345970.db2.gz GHDHMEBZPRREAT-LDYMZIIASA-N -1 0 368.367 -0.270 20 0 FBADRM Cc1cc(C(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c2cnn(C)c2n1 ZINC000424236131 485172155 /nfs/dbraw/zinc/17/21/55/485172155.db2.gz SRTWDELBWRSWBR-JTQLQIEISA-N -1 0 357.330 -0.317 20 0 FBADRM Cc1cc(C(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c2cnn(C)c2n1 ZINC000424236134 485172001 /nfs/dbraw/zinc/17/20/01/485172001.db2.gz SRTWDELBWRSWBR-SNVBAGLBSA-N -1 0 357.330 -0.317 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCCc2ccccc2)CCS1(=O)=O ZINC000424236329 484346580 /nfs/dbraw/zinc/34/65/80/484346580.db2.gz GSSDJAHSEAECRN-CYBMUJFWSA-N -1 0 368.411 -0.554 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCCc2ccccc2)CCS1(=O)=O ZINC000424236330 484346729 /nfs/dbraw/zinc/34/67/29/484346729.db2.gz GSSDJAHSEAECRN-ZDUSSCGKSA-N -1 0 368.411 -0.554 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(N3CCOCC3)cc2)CCS1(=O)=O ZINC000424236391 484346648 /nfs/dbraw/zinc/34/66/48/484346648.db2.gz GUEFPEOOSXWASY-AWEZNQCLSA-N -1 0 368.411 -0.153 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(N3CCOCC3)cc2)CCS1(=O)=O ZINC000424236392 484346574 /nfs/dbraw/zinc/34/65/74/484346574.db2.gz GUEFPEOOSXWASY-CQSZACIVSA-N -1 0 368.411 -0.153 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CCS(=O)(=O)C2CCCC2)CCS1(=O)=O ZINC000424236399 484345684 /nfs/dbraw/zinc/34/56/84/484345684.db2.gz GULYHBYOPPXUIQ-LLVKDONJSA-N -1 0 367.445 -0.556 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CCS(=O)(=O)C2CCCC2)CCS1(=O)=O ZINC000424236401 484346687 /nfs/dbraw/zinc/34/66/87/484346687.db2.gz GULYHBYOPPXUIQ-NSHDSACASA-N -1 0 367.445 -0.556 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2cccc(-c3nc[nH]n3)c2)CCS1(=O)=O ZINC000424236523 484345856 /nfs/dbraw/zinc/34/58/56/484345856.db2.gz HBNOPGMTHXLJKX-LLVKDONJSA-N -1 0 350.356 -0.205 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2cccc(-c3nc[nH]n3)c2)CCS1(=O)=O ZINC000424236526 484346325 /nfs/dbraw/zinc/34/63/25/484346325.db2.gz HBNOPGMTHXLJKX-NSHDSACASA-N -1 0 350.356 -0.205 20 0 FBADRM Cn1c2[nH]c(CCC(=O)NCCC(C)(C)C(=O)[O-])nc2c(=O)[nH]c1=O ZINC000424236737 485172164 /nfs/dbraw/zinc/17/21/64/485172164.db2.gz TWFFYNFWQNDIJC-UHFFFAOYSA-N -1 0 351.363 -0.088 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)CCS1(=O)=O ZINC000424237736 484346379 /nfs/dbraw/zinc/34/63/79/484346379.db2.gz HXACZKBQJVJDPA-JTQLQIEISA-N -1 0 353.418 -0.946 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)CCS1(=O)=O ZINC000424237737 484345901 /nfs/dbraw/zinc/34/59/01/484345901.db2.gz HXACZKBQJVJDPA-SNVBAGLBSA-N -1 0 353.418 -0.946 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)CCS1(=O)=O ZINC000424238421 484345842 /nfs/dbraw/zinc/34/58/42/484345842.db2.gz INFOZQJAKKXYFZ-GFCCVEGCSA-N -1 0 352.368 -0.105 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)CCS1(=O)=O ZINC000424238423 484346307 /nfs/dbraw/zinc/34/63/07/484346307.db2.gz INFOZQJAKKXYFZ-LBPRGKRZSA-N -1 0 352.368 -0.105 20 0 FBADRM CC(C)CS(=O)(=O)CCC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424238443 484346389 /nfs/dbraw/zinc/34/63/89/484346389.db2.gz INLAREBMCRMDCC-JTQLQIEISA-N -1 0 355.434 -0.843 20 0 FBADRM CC(C)CS(=O)(=O)CCC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424238448 484345793 /nfs/dbraw/zinc/34/57/93/484345793.db2.gz INLAREBMCRMDCC-SNVBAGLBSA-N -1 0 355.434 -0.843 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(C(=O)NC3CC3)cc2)CCS1(=O)=O ZINC000424238787 484346301 /nfs/dbraw/zinc/34/63/01/484346301.db2.gz IUIFQOVIIDZROS-CYBMUJFWSA-N -1 0 366.395 -0.097 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(C(=O)NC3CC3)cc2)CCS1(=O)=O ZINC000424238791 484345654 /nfs/dbraw/zinc/34/56/54/484345654.db2.gz IUIFQOVIIDZROS-ZDUSSCGKSA-N -1 0 366.395 -0.097 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CCNC(=O)Cc2ccccc2)CCS1(=O)=O ZINC000424238838 484346452 /nfs/dbraw/zinc/34/64/52/484346452.db2.gz IXHNCEBSGLDSLG-CYBMUJFWSA-N -1 0 368.411 -0.554 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CCNC(=O)Cc2ccccc2)CCS1(=O)=O ZINC000424238843 484346420 /nfs/dbraw/zinc/34/64/20/484346420.db2.gz IXHNCEBSGLDSLG-ZDUSSCGKSA-N -1 0 368.411 -0.554 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2n[nH]nc2-c2ccccc2)CCS1(=O)=O ZINC000424238904 484345670 /nfs/dbraw/zinc/34/56/70/484345670.db2.gz IZHCOKRRMWCXBR-JTQLQIEISA-N -1 0 350.356 -0.205 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2n[nH]nc2-c2ccccc2)CCS1(=O)=O ZINC000424238909 484346506 /nfs/dbraw/zinc/34/65/06/484346506.db2.gz IZHCOKRRMWCXBR-SNVBAGLBSA-N -1 0 350.356 -0.205 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CCS1(=O)=O ZINC000424238969 484346722 /nfs/dbraw/zinc/34/67/22/484346722.db2.gz JCXSUEVZGIIFFY-HTQZYQBOSA-N -1 0 372.321 -0.893 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CCS1(=O)=O ZINC000424238974 484345916 /nfs/dbraw/zinc/34/59/16/484345916.db2.gz JCXSUEVZGIIFFY-JGVFFNPUSA-N -1 0 372.321 -0.893 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CCS1(=O)=O ZINC000424238975 484346499 /nfs/dbraw/zinc/34/64/99/484346499.db2.gz JCXSUEVZGIIFFY-SFYZADRCSA-N -1 0 372.321 -0.893 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CCS1(=O)=O ZINC000424238978 484346101 /nfs/dbraw/zinc/34/61/01/484346101.db2.gz JCXSUEVZGIIFFY-YUMQZZPRSA-N -1 0 372.321 -0.893 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)CCS1(=O)=O ZINC000424239014 484346657 /nfs/dbraw/zinc/34/66/57/484346657.db2.gz JFGILTZYZYTISH-GFCCVEGCSA-N -1 0 350.356 -0.409 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)CCS1(=O)=O ZINC000424239017 484346121 /nfs/dbraw/zinc/34/61/21/484346121.db2.gz JFGILTZYZYTISH-LBPRGKRZSA-N -1 0 350.356 -0.409 20 0 FBADRM COc1cc(CC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc(OC)c1O ZINC000424239053 484345929 /nfs/dbraw/zinc/34/59/29/484345929.db2.gz JHBAYJWIMVDWKW-GFCCVEGCSA-N -1 0 373.383 -0.338 20 0 FBADRM COc1cc(CC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc(OC)c1O ZINC000424239060 484346642 /nfs/dbraw/zinc/34/66/42/484346642.db2.gz JHBAYJWIMVDWKW-LBPRGKRZSA-N -1 0 373.383 -0.338 20 0 FBADRM CC(C)(C)n1cc(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cn1 ZINC000424239672 484345756 /nfs/dbraw/zinc/34/57/56/484345756.db2.gz JXYBKDDFVNDAQD-JTQLQIEISA-N -1 0 357.388 -0.469 20 0 FBADRM CC(C)(C)n1cc(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cn1 ZINC000424239673 484346640 /nfs/dbraw/zinc/34/66/40/484346640.db2.gz JXYBKDDFVNDAQD-SNVBAGLBSA-N -1 0 357.388 -0.469 20 0 FBADRM CN1C(=O)c2ccc(C(=O)N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)cc2C1=O ZINC000424240124 484346182 /nfs/dbraw/zinc/34/61/82/484346182.db2.gz KBWHIFWVWDIQDL-LLVKDONJSA-N -1 0 366.351 -0.764 20 0 FBADRM CN1C(=O)c2ccc(C(=O)N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)cc2C1=O ZINC000424240129 484347892 /nfs/dbraw/zinc/34/78/92/484347892.db2.gz KBWHIFWVWDIQDL-NSHDSACASA-N -1 0 366.351 -0.764 20 0 FBADRM CC(=O)Nc1ccc(CC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1 ZINC000424240605 484347508 /nfs/dbraw/zinc/34/75/08/484347508.db2.gz KNJNNVUUQIEGLO-CYBMUJFWSA-N -1 0 354.384 -0.102 20 0 FBADRM CC(=O)Nc1ccc(CC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1 ZINC000424240609 484347482 /nfs/dbraw/zinc/34/74/82/484347482.db2.gz KNJNNVUUQIEGLO-ZDUSSCGKSA-N -1 0 354.384 -0.102 20 0 FBADRM CC(C)C[C@@H]1C[C@H](C(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])CC(=O)N1 ZINC000424240673 485172186 /nfs/dbraw/zinc/17/21/86/485172186.db2.gz XSTSUSZFEXXLPP-AXFHLTTASA-N -1 0 365.390 -0.280 20 0 FBADRM CC(C)C[C@@H]1C[C@@H](C(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])CC(=O)N1 ZINC000424240678 485172274 /nfs/dbraw/zinc/17/22/74/485172274.db2.gz XSTSUSZFEXXLPP-GMTAPVOTSA-N -1 0 365.390 -0.280 20 0 FBADRM CC(C)C[C@@H]1C[C@H](C(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])CC(=O)N1 ZINC000424240684 485171930 /nfs/dbraw/zinc/17/19/30/485171930.db2.gz XSTSUSZFEXXLPP-HBNTYKKESA-N -1 0 365.390 -0.280 20 0 FBADRM CC(C)C[C@@H]1C[C@@H](C(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])CC(=O)N1 ZINC000424240690 485172011 /nfs/dbraw/zinc/17/20/11/485172011.db2.gz XSTSUSZFEXXLPP-MXWKQRLJSA-N -1 0 365.390 -0.280 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1 ZINC000424240726 484347085 /nfs/dbraw/zinc/34/70/85/484347085.db2.gz KPGSXAXODZKLMB-LLVKDONJSA-N -1 0 356.356 -0.656 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1 ZINC000424240731 484347522 /nfs/dbraw/zinc/34/75/22/484347522.db2.gz KPGSXAXODZKLMB-NSHDSACASA-N -1 0 356.356 -0.656 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2)CCS1(=O)=O ZINC000424240810 484347205 /nfs/dbraw/zinc/34/72/05/484347205.db2.gz KRWZCWJLKCQBDC-JTQLQIEISA-N -1 0 360.775 -0.011 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2)CCS1(=O)=O ZINC000424240906 484347115 /nfs/dbraw/zinc/34/71/15/484347115.db2.gz KRWZCWJLKCQBDC-SNVBAGLBSA-N -1 0 360.775 -0.011 20 0 FBADRM CC(C)(CCNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000424240917 485171936 /nfs/dbraw/zinc/17/19/36/485171936.db2.gz YCEJKEKVDJVKIY-GHMZBOCLSA-N -1 0 360.432 -0.361 20 0 FBADRM CC(C)(CCNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000424240919 485171992 /nfs/dbraw/zinc/17/19/92/485171992.db2.gz YCEJKEKVDJVKIY-MNOVXSKESA-N -1 0 360.432 -0.361 20 0 FBADRM CC(C)(CCNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000424240922 485172564 /nfs/dbraw/zinc/17/25/64/485172564.db2.gz YCEJKEKVDJVKIY-QWRGUYRKSA-N -1 0 360.432 -0.361 20 0 FBADRM CC(C)(CCNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000424240926 485173198 /nfs/dbraw/zinc/17/31/98/485173198.db2.gz YCEJKEKVDJVKIY-WDEREUQCSA-N -1 0 360.432 -0.361 20 0 FBADRM Cn1c2ncn(CCC(=O)NCCC(C)(C)C(=O)[O-])c2c(=O)n(C)c1=O ZINC000424240998 485173143 /nfs/dbraw/zinc/17/31/43/485173143.db2.gz YHAPHTVZBHCOLY-UHFFFAOYSA-N -1 0 365.390 -0.559 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Cn2cnc3ccccc3c2=O)CCS1(=O)=O ZINC000424241024 484347657 /nfs/dbraw/zinc/34/76/57/484347657.db2.gz KXTFEFKWYUWOBH-GFCCVEGCSA-N -1 0 365.367 -0.893 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2cnc3ccccc3c2=O)CCS1(=O)=O ZINC000424241033 484347883 /nfs/dbraw/zinc/34/78/83/484347883.db2.gz KXTFEFKWYUWOBH-LBPRGKRZSA-N -1 0 365.367 -0.893 20 0 FBADRM CCn1cc(-c2n[nH]cc2C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cn1 ZINC000424241247 484347797 /nfs/dbraw/zinc/34/77/97/484347797.db2.gz KZUHBGLSXQXYGW-LLVKDONJSA-N -1 0 367.387 -0.383 20 0 FBADRM CCn1cc(-c2n[nH]cc2C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cn1 ZINC000424241252 484347862 /nfs/dbraw/zinc/34/78/62/484347862.db2.gz KZUHBGLSXQXYGW-NSHDSACASA-N -1 0 367.387 -0.383 20 0 FBADRM COc1ccc(C(=O)NCC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1 ZINC000424241324 484347227 /nfs/dbraw/zinc/34/72/27/484347227.db2.gz LCDVGNMWXAWKOL-GFCCVEGCSA-N -1 0 370.383 -0.865 20 0 FBADRM COc1ccc(C(=O)NCC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1 ZINC000424241326 484347172 /nfs/dbraw/zinc/34/71/72/484347172.db2.gz LCDVGNMWXAWKOL-LBPRGKRZSA-N -1 0 370.383 -0.865 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CO3)CCS1(=O)=O ZINC000424241451 484347414 /nfs/dbraw/zinc/34/74/14/484347414.db2.gz LGNTUCIXAGRTIN-LLVKDONJSA-N -1 0 354.340 -0.659 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CO3)CCS1(=O)=O ZINC000424241454 484347337 /nfs/dbraw/zinc/34/73/37/484347337.db2.gz LGNTUCIXAGRTIN-NSHDSACASA-N -1 0 354.340 -0.659 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2cccc(-n3cccn3)n2)CCS1(=O)=O ZINC000424241563 484347792 /nfs/dbraw/zinc/34/77/92/484347792.db2.gz LKWULYHZNKKPON-LLVKDONJSA-N -1 0 350.356 -0.409 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2cccc(-n3cccn3)n2)CCS1(=O)=O ZINC000424241567 484347825 /nfs/dbraw/zinc/34/78/25/484347825.db2.gz LKWULYHZNKKPON-NSHDSACASA-N -1 0 350.356 -0.409 20 0 FBADRM Cc1cc(C)cc(C(=O)NCC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424241961 484347645 /nfs/dbraw/zinc/34/76/45/484347645.db2.gz LSJBDPWJTGDKDO-CYBMUJFWSA-N -1 0 368.411 -0.257 20 0 FBADRM Cc1cc(C)cc(C(=O)NCC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424241967 484347382 /nfs/dbraw/zinc/34/73/82/484347382.db2.gz LSJBDPWJTGDKDO-ZDUSSCGKSA-N -1 0 368.411 -0.257 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CNC(=O)c2cccc(Cl)c2)CCS1(=O)=O ZINC000424242110 484347700 /nfs/dbraw/zinc/34/77/00/484347700.db2.gz LXGWIGHCFBVXDI-LLVKDONJSA-N -1 0 374.802 -0.220 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CNC(=O)c2cccc(Cl)c2)CCS1(=O)=O ZINC000424242116 484347888 /nfs/dbraw/zinc/34/78/88/484347888.db2.gz LXGWIGHCFBVXDI-NSHDSACASA-N -1 0 374.802 -0.220 20 0 FBADRM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424242334 484347593 /nfs/dbraw/zinc/34/75/93/484347593.db2.gz DZOXZDPGQGWDTQ-BIMULSAOSA-N -1 0 355.368 -0.075 20 0 FBADRM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424242336 484347835 /nfs/dbraw/zinc/34/78/35/484347835.db2.gz DZOXZDPGQGWDTQ-TVYUQYBPSA-N -1 0 355.368 -0.075 20 0 FBADRM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424242341 484754213 /nfs/dbraw/zinc/75/42/13/484754213.db2.gz DZOXZDPGQGWDTQ-XDTLVQLUSA-N -1 0 355.368 -0.075 20 0 FBADRM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424242344 484754221 /nfs/dbraw/zinc/75/42/21/484754221.db2.gz DZOXZDPGQGWDTQ-ZWKOPEQDSA-N -1 0 355.368 -0.075 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CCNC(=O)c2cccs2)CCS1(=O)=O ZINC000424242544 484347726 /nfs/dbraw/zinc/34/77/26/484347726.db2.gz MCZUSDGQGNWODJ-JTQLQIEISA-N -1 0 360.413 -0.422 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CCNC(=O)c2cccs2)CCS1(=O)=O ZINC000424242562 484347789 /nfs/dbraw/zinc/34/77/89/484347789.db2.gz MCZUSDGQGNWODJ-SNVBAGLBSA-N -1 0 360.413 -0.422 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Cn2cnc3sccc3c2=O)CCS1(=O)=O ZINC000424242564 484347406 /nfs/dbraw/zinc/34/74/06/484347406.db2.gz MDJHMVMRHOODGE-SECBINFHSA-N -1 0 371.396 -0.832 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2cnc3sccc3c2=O)CCS1(=O)=O ZINC000424242573 484347768 /nfs/dbraw/zinc/34/77/68/484347768.db2.gz MDJHMVMRHOODGE-VIFPVBQESA-N -1 0 371.396 -0.832 20 0 FBADRM Cc1ccc(C(=O)NCC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1C ZINC000424242637 484347100 /nfs/dbraw/zinc/34/71/00/484347100.db2.gz MFOPTGOXCKHXCK-CYBMUJFWSA-N -1 0 368.411 -0.257 20 0 FBADRM Cc1ccc(C(=O)NCC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1C ZINC000424242641 484347462 /nfs/dbraw/zinc/34/74/62/484347462.db2.gz MFOPTGOXCKHXCK-ZDUSSCGKSA-N -1 0 368.411 -0.257 20 0 FBADRM CC(=O)c1cccc(OCC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424242738 484347745 /nfs/dbraw/zinc/34/77/45/484347745.db2.gz MJODITQQKRDKBG-CYBMUJFWSA-N -1 0 355.368 -0.022 20 0 FBADRM CC(=O)c1cccc(OCC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424242742 484347313 /nfs/dbraw/zinc/34/73/13/484347313.db2.gz MJODITQQKRDKBG-ZDUSSCGKSA-N -1 0 355.368 -0.022 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2ccccc2-n2ccnn2)CCS1(=O)=O ZINC000424242861 484347873 /nfs/dbraw/zinc/34/78/73/484347873.db2.gz MMNIGMOGIHFDGP-GFCCVEGCSA-N -1 0 350.356 -0.409 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccccc2-n2ccnn2)CCS1(=O)=O ZINC000424242866 484347747 /nfs/dbraw/zinc/34/77/47/484347747.db2.gz MMNIGMOGIHFDGP-LBPRGKRZSA-N -1 0 350.356 -0.409 20 0 FBADRM C[C@H]1CCCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H]1C(=O)[O-] ZINC000424243147 485172752 /nfs/dbraw/zinc/17/27/52/485172752.db2.gz FGXSJDOJPCETQO-GXSJLCMTSA-N -1 0 363.374 -0.855 20 0 FBADRM C[C@@H]1CCCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H]1C(=O)[O-] ZINC000424243148 485172724 /nfs/dbraw/zinc/17/27/24/485172724.db2.gz FGXSJDOJPCETQO-KOLCDFICSA-N -1 0 363.374 -0.855 20 0 FBADRM C[C@@H]1CCCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H]1C(=O)[O-] ZINC000424243149 485172582 /nfs/dbraw/zinc/17/25/82/485172582.db2.gz FGXSJDOJPCETQO-MWLCHTKSSA-N -1 0 363.374 -0.855 20 0 FBADRM C[C@H]1CCCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H]1C(=O)[O-] ZINC000424243150 485172812 /nfs/dbraw/zinc/17/28/12/485172812.db2.gz FGXSJDOJPCETQO-ONGXEEELSA-N -1 0 363.374 -0.855 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Cn2cc(Br)cn2)CCS1(=O)=O ZINC000424243295 484347530 /nfs/dbraw/zinc/34/75/30/484347530.db2.gz MTCIRDHOCWKWPV-MRVPVSSYSA-N -1 0 366.193 -0.644 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2cc(Br)cn2)CCS1(=O)=O ZINC000424243305 484347069 /nfs/dbraw/zinc/34/70/69/484347069.db2.gz MTCIRDHOCWKWPV-QMMMGPOBSA-N -1 0 366.193 -0.644 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(-c3nc[nH]n3)cc2)CCS1(=O)=O ZINC000424243417 484347213 /nfs/dbraw/zinc/34/72/13/484347213.db2.gz MYUOPDJVFUIZFM-LLVKDONJSA-N -1 0 350.356 -0.205 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(-c3nc[nH]n3)cc2)CCS1(=O)=O ZINC000424243420 484347495 /nfs/dbraw/zinc/34/74/95/484347495.db2.gz MYUOPDJVFUIZFM-NSHDSACASA-N -1 0 350.356 -0.205 20 0 FBADRM Cc1cc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)ccc1-n1cncn1 ZINC000424243441 484347773 /nfs/dbraw/zinc/34/77/73/484347773.db2.gz MZZJFBDSFOHJAG-CYBMUJFWSA-N -1 0 364.383 -0.100 20 0 FBADRM Cc1cc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)ccc1-n1cncn1 ZINC000424243444 484347324 /nfs/dbraw/zinc/34/73/24/484347324.db2.gz MZZJFBDSFOHJAG-ZDUSSCGKSA-N -1 0 364.383 -0.100 20 0 FBADRM CS(=O)(=O)c1cccc(C(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c1 ZINC000424244113 485172894 /nfs/dbraw/zinc/17/28/94/485172894.db2.gz KPIOZDPEIYCTPG-JTQLQIEISA-N -1 0 366.355 -0.504 20 0 FBADRM CS(=O)(=O)c1cccc(C(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c1 ZINC000424244115 485172854 /nfs/dbraw/zinc/17/28/54/485172854.db2.gz KPIOZDPEIYCTPG-SNVBAGLBSA-N -1 0 366.355 -0.504 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CNC(=O)NC2CCCCC2)CCS1(=O)=O ZINC000424244302 484347434 /nfs/dbraw/zinc/34/74/34/484347434.db2.gz NSRWWYOTZDCVTB-LLVKDONJSA-N -1 0 361.420 -0.672 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CNC(=O)NC2CCCCC2)CCS1(=O)=O ZINC000424244305 484347295 /nfs/dbraw/zinc/34/72/95/484347295.db2.gz NSRWWYOTZDCVTB-NSHDSACASA-N -1 0 361.420 -0.672 20 0 FBADRM COc1ccc(OC)c(CC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424244327 484347707 /nfs/dbraw/zinc/34/77/07/484347707.db2.gz NTFCEUUWTWOTTG-CYBMUJFWSA-N -1 0 357.384 -0.044 20 0 FBADRM COc1ccc(OC)c(CC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424244329 484347625 /nfs/dbraw/zinc/34/76/25/484347625.db2.gz NTFCEUUWTWOTTG-ZDUSSCGKSA-N -1 0 357.384 -0.044 20 0 FBADRM Cc1ccccc1C(=O)NCC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424244550 484347880 /nfs/dbraw/zinc/34/78/80/484347880.db2.gz NYDWNACZHFRBPR-GFCCVEGCSA-N -1 0 354.384 -0.565 20 0 FBADRM Cc1ccccc1C(=O)NCC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424244554 484347830 /nfs/dbraw/zinc/34/78/30/484347830.db2.gz NYDWNACZHFRBPR-LBPRGKRZSA-N -1 0 354.384 -0.565 20 0 FBADRM Cc1sc(=O)n(CCC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1C ZINC000424244696 484347818 /nfs/dbraw/zinc/34/78/18/484347818.db2.gz ODGPKSNFKLHYPH-JTQLQIEISA-N -1 0 362.429 -0.373 20 0 FBADRM Cc1sc(=O)n(CCC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1C ZINC000424244709 484347854 /nfs/dbraw/zinc/34/78/54/484347854.db2.gz ODGPKSNFKLHYPH-SNVBAGLBSA-N -1 0 362.429 -0.373 20 0 FBADRM Cc1ccc(-n2cc(C(=O)N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)nn2)cc1 ZINC000424244845 484347548 /nfs/dbraw/zinc/34/75/48/484347548.db2.gz ODYATNTZTABQDI-CYBMUJFWSA-N -1 0 364.383 -0.100 20 0 FBADRM Cc1ccc(-n2cc(C(=O)N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)nn2)cc1 ZINC000424244846 484347777 /nfs/dbraw/zinc/34/77/77/484347777.db2.gz ODYATNTZTABQDI-ZDUSSCGKSA-N -1 0 364.383 -0.100 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)CCCNC(=O)c1ccco1 ZINC000424244932 485173339 /nfs/dbraw/zinc/17/33/39/485173339.db2.gz LLCSUEDRJHZORE-SECBINFHSA-N -1 0 363.330 -0.418 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)CCCNC(=O)c1ccco1 ZINC000424244938 485172989 /nfs/dbraw/zinc/17/29/89/485172989.db2.gz LLCSUEDRJHZORE-VIFPVBQESA-N -1 0 363.330 -0.418 20 0 FBADRM CCc1nn(C)c(CC)c1CC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424245026 484347577 /nfs/dbraw/zinc/34/75/77/484347577.db2.gz OKYJMCIVJFPLGX-CYBMUJFWSA-N -1 0 357.432 -0.202 20 0 FBADRM CCc1nn(C)c(CC)c1CC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424245032 484347473 /nfs/dbraw/zinc/34/74/73/484347473.db2.gz OKYJMCIVJFPLGX-ZDUSSCGKSA-N -1 0 357.432 -0.202 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)CCS1(=O)=O ZINC000424245250 484347812 /nfs/dbraw/zinc/34/78/12/484347812.db2.gz ORFJKOCMJBCVGE-GFCCVEGCSA-N -1 0 354.384 -0.010 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)CCS1(=O)=O ZINC000424245266 484347449 /nfs/dbraw/zinc/34/74/49/484347449.db2.gz ORFJKOCMJBCVGE-LBPRGKRZSA-N -1 0 354.384 -0.010 20 0 FBADRM Cc1cc2ncc(C(=O)N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)c(C)n2n1 ZINC000424245463 484347157 /nfs/dbraw/zinc/34/71/57/484347157.db2.gz OWVOSLKSNZYHCO-LLVKDONJSA-N -1 0 352.372 -0.330 20 0 FBADRM Cc1cc2ncc(C(=O)N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)c(C)n2n1 ZINC000424245464 484347246 /nfs/dbraw/zinc/34/72/46/484347246.db2.gz OWVOSLKSNZYHCO-NSHDSACASA-N -1 0 352.372 -0.330 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2ccnc(N3CCCCC3)n2)CCS1(=O)=O ZINC000424245467 484347252 /nfs/dbraw/zinc/34/72/52/484347252.db2.gz OXDHJPZSSXQDSU-GFCCVEGCSA-N -1 0 368.415 -0.209 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccnc(N3CCCCC3)n2)CCS1(=O)=O ZINC000424245468 484347581 /nfs/dbraw/zinc/34/75/81/484347581.db2.gz OXDHJPZSSXQDSU-LBPRGKRZSA-N -1 0 368.415 -0.209 20 0 FBADRM O=C(CC1CCCCC1)NCC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424245519 484347428 /nfs/dbraw/zinc/34/74/28/484347428.db2.gz PCXHLCOQEMBNIG-GFCCVEGCSA-N -1 0 360.432 -0.217 20 0 FBADRM CS(=O)(=O)C1(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCCC1 ZINC000424245522 484347457 /nfs/dbraw/zinc/34/74/57/484347457.db2.gz GRHIIJYQUNEJBZ-SECBINFHSA-N -1 0 353.418 -0.946 20 0 FBADRM CS(=O)(=O)C1(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCCC1 ZINC000424245524 484347392 /nfs/dbraw/zinc/34/73/92/484347392.db2.gz GRHIIJYQUNEJBZ-VIFPVBQESA-N -1 0 353.418 -0.946 20 0 FBADRM O=C(CC1CCCCC1)NCC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424245527 484347558 /nfs/dbraw/zinc/34/75/58/484347558.db2.gz PCXHLCOQEMBNIG-LBPRGKRZSA-N -1 0 360.432 -0.217 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CN2C(=O)COc3ccccc32)CCS1(=O)=O ZINC000424246049 484347722 /nfs/dbraw/zinc/34/77/22/484347722.db2.gz PJYYDJMCSBWFSX-GFCCVEGCSA-N -1 0 368.367 -0.878 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CN2C(=O)COc3ccccc32)CCS1(=O)=O ZINC000424246051 484347639 /nfs/dbraw/zinc/34/76/39/484347639.db2.gz PJYYDJMCSBWFSX-LBPRGKRZSA-N -1 0 368.367 -0.878 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)[C@H]2CCCN2c2nccs2)CCS1(=O)=O ZINC000424246092 484347234 /nfs/dbraw/zinc/34/72/34/484347234.db2.gz PMRKQFDINOWMHT-NXEZZACHSA-N -1 0 359.429 -0.178 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCN2c2nccs2)CCS1(=O)=O ZINC000424246094 484347713 /nfs/dbraw/zinc/34/77/13/484347713.db2.gz PMRKQFDINOWMHT-UWVGGRQHSA-N -1 0 359.429 -0.178 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCCN2c2nccs2)CCS1(=O)=O ZINC000424246095 484347288 /nfs/dbraw/zinc/34/72/88/484347288.db2.gz PMRKQFDINOWMHT-VHSXEESVSA-N -1 0 359.429 -0.178 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCN2c2nccs2)CCS1(=O)=O ZINC000424246096 484347717 /nfs/dbraw/zinc/34/77/17/484347717.db2.gz PMRKQFDINOWMHT-ZJUUUORDSA-N -1 0 359.429 -0.178 20 0 FBADRM Cn1c(=O)[nH]c2ccc(C(=O)N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)cc21 ZINC000424246107 484347607 /nfs/dbraw/zinc/34/76/07/484347607.db2.gz PNORTFICDRGQPF-LLVKDONJSA-N -1 0 353.356 -0.397 20 0 FBADRM Cn1c(=O)[nH]c2ccc(C(=O)N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)cc21 ZINC000424246108 484347587 /nfs/dbraw/zinc/34/75/87/484347587.db2.gz PNORTFICDRGQPF-NSHDSACASA-N -1 0 353.356 -0.397 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cn1C ZINC000424246303 485173207 /nfs/dbraw/zinc/17/32/07/485173207.db2.gz LHFCKBPNZJBWEV-LLVKDONJSA-N -1 0 360.436 -0.130 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NC[C@H](CC(C)C)C(=O)[O-])cn1C ZINC000424246307 485172547 /nfs/dbraw/zinc/17/25/47/485172547.db2.gz LHFCKBPNZJBWEV-NSHDSACASA-N -1 0 360.436 -0.130 20 0 FBADRM CC(C)C[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC000424246376 485172887 /nfs/dbraw/zinc/17/28/87/485172887.db2.gz LJMBAHUMXNXHKL-GHMZBOCLSA-N -1 0 360.436 -0.050 20 0 FBADRM CC(C)C[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC000424246380 485172931 /nfs/dbraw/zinc/17/29/31/485172931.db2.gz LJMBAHUMXNXHKL-MNOVXSKESA-N -1 0 360.436 -0.050 20 0 FBADRM CC(C)C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC000424246382 485173369 /nfs/dbraw/zinc/17/33/69/485173369.db2.gz LJMBAHUMXNXHKL-QWRGUYRKSA-N -1 0 360.436 -0.050 20 0 FBADRM CC(C)C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC000424246384 485173284 /nfs/dbraw/zinc/17/32/84/485173284.db2.gz LJMBAHUMXNXHKL-WDEREUQCSA-N -1 0 360.436 -0.050 20 0 FBADRM CCNC(=O)NC1(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCCC1 ZINC000424246533 484347850 /nfs/dbraw/zinc/34/78/50/484347850.db2.gz HFVAEVCWJICXCP-JTQLQIEISA-N -1 0 361.420 -0.672 20 0 FBADRM CCNC(=O)NC1(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCCC1 ZINC000424246536 484347650 /nfs/dbraw/zinc/34/76/50/484347650.db2.gz HFVAEVCWJICXCP-SNVBAGLBSA-N -1 0 361.420 -0.672 20 0 FBADRM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424246702 484347195 /nfs/dbraw/zinc/34/71/95/484347195.db2.gz QDUDPCHONIAWIL-AVGNSLFASA-N -1 0 374.459 -0.019 20 0 FBADRM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424246703 484347400 /nfs/dbraw/zinc/34/74/00/484347400.db2.gz QDUDPCHONIAWIL-RWMBFGLXSA-N -1 0 374.459 -0.019 20 0 FBADRM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424246704 484347141 /nfs/dbraw/zinc/34/71/41/484347141.db2.gz QDUDPCHONIAWIL-XQQFMLRXSA-N -1 0 374.459 -0.019 20 0 FBADRM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424246705 484347333 /nfs/dbraw/zinc/34/73/33/484347333.db2.gz QDUDPCHONIAWIL-YNEHKIRRSA-N -1 0 374.459 -0.019 20 0 FBADRM Cc1cccc(NC(=O)NCC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424247340 484347844 /nfs/dbraw/zinc/34/78/44/484347844.db2.gz QUMGCOMOIKZRGC-GFCCVEGCSA-N -1 0 369.399 -0.173 20 0 FBADRM Cc1cccc(NC(=O)NCC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424247341 484347755 /nfs/dbraw/zinc/34/77/55/484347755.db2.gz QUMGCOMOIKZRGC-LBPRGKRZSA-N -1 0 369.399 -0.173 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2ccnc(-n3cccn3)c2)CCS1(=O)=O ZINC000424247810 484347686 /nfs/dbraw/zinc/34/76/86/484347686.db2.gz RDKZKIYQOCRSCY-LLVKDONJSA-N -1 0 350.356 -0.409 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccnc(-n3cccn3)c2)CCS1(=O)=O ZINC000424247811 484347466 /nfs/dbraw/zinc/34/74/66/484347466.db2.gz RDKZKIYQOCRSCY-NSHDSACASA-N -1 0 350.356 -0.409 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CCNC(=O)C2CCCCC2)CCS1(=O)=O ZINC000424247862 484347270 /nfs/dbraw/zinc/34/72/70/484347270.db2.gz RLUQZITXIDNWKE-GFCCVEGCSA-N -1 0 360.432 -0.217 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CCNC(=O)C2CCCCC2)CCS1(=O)=O ZINC000424247863 484347123 /nfs/dbraw/zinc/34/71/23/484347123.db2.gz RLUQZITXIDNWKE-LBPRGKRZSA-N -1 0 360.432 -0.217 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2cn(Cc3ccccc3)nn2)CCS1(=O)=O ZINC000424247876 484347515 /nfs/dbraw/zinc/34/75/15/484347515.db2.gz ROUOZGYOEHQGBQ-CYBMUJFWSA-N -1 0 364.383 -0.350 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2cn(Cc3ccccc3)nn2)CCS1(=O)=O ZINC000424247877 484347763 /nfs/dbraw/zinc/34/77/63/484347763.db2.gz ROUOZGYOEHQGBQ-ZDUSSCGKSA-N -1 0 364.383 -0.350 20 0 FBADRM O=C(CCC1CCCC1)NCC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424248654 484347898 /nfs/dbraw/zinc/34/78/98/484347898.db2.gz SIJDBODUOJICBI-GFCCVEGCSA-N -1 0 360.432 -0.217 20 0 FBADRM O=C(CCC1CCCC1)NCC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424248656 484347691 /nfs/dbraw/zinc/34/76/91/484347691.db2.gz SIJDBODUOJICBI-LBPRGKRZSA-N -1 0 360.432 -0.217 20 0 FBADRM CCC(CC)(CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000424248908 485172682 /nfs/dbraw/zinc/17/26/82/485172682.db2.gz NOTPSYRMNUTENU-UHFFFAOYSA-N -1 0 365.390 -0.559 20 0 FBADRM Cc1cc(-n2cncn2)ccc1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424249086 484347782 /nfs/dbraw/zinc/34/77/82/484347782.db2.gz STZMEHUWYXYQTH-CYBMUJFWSA-N -1 0 364.383 -0.100 20 0 FBADRM Cc1cc(-n2cncn2)ccc1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424249092 484347736 /nfs/dbraw/zinc/34/77/36/484347736.db2.gz STZMEHUWYXYQTH-ZDUSSCGKSA-N -1 0 364.383 -0.100 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000424249331 485172573 /nfs/dbraw/zinc/17/25/73/485172573.db2.gz INPMKERPUCOMAB-JBLDHEPKSA-N -1 0 358.420 -0.201 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000424249335 485173151 /nfs/dbraw/zinc/17/31/51/485173151.db2.gz INPMKERPUCOMAB-JFGNBEQYSA-N -1 0 358.420 -0.201 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000424249340 485173299 /nfs/dbraw/zinc/17/32/99/485173299.db2.gz INPMKERPUCOMAB-NHCYSSNCSA-N -1 0 358.420 -0.201 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000424249344 485172803 /nfs/dbraw/zinc/17/28/03/485172803.db2.gz INPMKERPUCOMAB-SCVCMEIPSA-N -1 0 358.420 -0.201 20 0 FBADRM C[C@H](NC(=O)c1ccccc1)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424249716 484347570 /nfs/dbraw/zinc/34/75/70/484347570.db2.gz UAENMLWUKHNICK-CMPLNLGQSA-N -1 0 354.384 -0.485 20 0 FBADRM C[C@H](NC(=O)c1ccccc1)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424249719 484347276 /nfs/dbraw/zinc/34/72/76/484347276.db2.gz UAENMLWUKHNICK-JQWIXIFHSA-N -1 0 354.384 -0.485 20 0 FBADRM C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424249721 484347441 /nfs/dbraw/zinc/34/74/41/484347441.db2.gz UAENMLWUKHNICK-PWSUYJOCSA-N -1 0 354.384 -0.485 20 0 FBADRM C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424249724 484347372 /nfs/dbraw/zinc/34/73/72/484347372.db2.gz UAENMLWUKHNICK-ZYHUDNBSSA-N -1 0 354.384 -0.485 20 0 FBADRM CCCCCS(=O)(=O)CC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424249790 484347421 /nfs/dbraw/zinc/34/74/21/484347421.db2.gz UBWBJNJYWRWDIV-JTQLQIEISA-N -1 0 355.434 -0.698 20 0 FBADRM CCCCCS(=O)(=O)CC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424249792 484347616 /nfs/dbraw/zinc/34/76/16/484347616.db2.gz UBWBJNJYWRWDIV-SNVBAGLBSA-N -1 0 355.434 -0.698 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CCn2c(=O)oc3ccccc32)CCS1(=O)=O ZINC000424250446 484347538 /nfs/dbraw/zinc/34/75/38/484347538.db2.gz UMEPHRAPOHIBDR-GFCCVEGCSA-N -1 0 368.367 -0.305 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CCn2c(=O)oc3ccccc32)CCS1(=O)=O ZINC000424250448 484347260 /nfs/dbraw/zinc/34/72/60/484347260.db2.gz UMEPHRAPOHIBDR-LBPRGKRZSA-N -1 0 368.367 -0.305 20 0 FBADRM Cc1nn(C)c2nc(C)c(C(=O)N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)cc12 ZINC000424250464 484347543 /nfs/dbraw/zinc/34/75/43/484347543.db2.gz UMMFEPMLSMVWJY-GFCCVEGCSA-N -1 0 366.399 -0.091 20 0 FBADRM Cc1nn(C)c2nc(C)c(C(=O)N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)cc12 ZINC000424250467 484347183 /nfs/dbraw/zinc/34/71/83/484347183.db2.gz UMMFEPMLSMVWJY-LBPRGKRZSA-N -1 0 366.399 -0.091 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CN2Cc3ccccc3C2=O)CCS1(=O)=O ZINC000424250477 484347839 /nfs/dbraw/zinc/34/78/39/484347839.db2.gz UNAYNAUAZRCFDU-GFCCVEGCSA-N -1 0 352.368 -0.647 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CN2Cc3ccccc3C2=O)CCS1(=O)=O ZINC000424250478 484348414 /nfs/dbraw/zinc/34/84/14/484348414.db2.gz UNAYNAUAZRCFDU-LBPRGKRZSA-N -1 0 352.368 -0.647 20 0 FBADRM CN(CC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C(=O)c1cccs1 ZINC000424250499 484348264 /nfs/dbraw/zinc/34/82/64/484348264.db2.gz UOZYYUZSUVAODN-JTQLQIEISA-N -1 0 360.413 -0.470 20 0 FBADRM CN(CC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C(=O)c1cccs1 ZINC000424250500 484348914 /nfs/dbraw/zinc/34/89/14/484348914.db2.gz UOZYYUZSUVAODN-SNVBAGLBSA-N -1 0 360.413 -0.470 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(-n3ccnn3)cc2)CCS1(=O)=O ZINC000424250519 484348691 /nfs/dbraw/zinc/34/86/91/484348691.db2.gz URFITCCPQWUUTL-GFCCVEGCSA-N -1 0 350.356 -0.409 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(-n3ccnn3)cc2)CCS1(=O)=O ZINC000424250520 484348219 /nfs/dbraw/zinc/34/82/19/484348219.db2.gz URFITCCPQWUUTL-LBPRGKRZSA-N -1 0 350.356 -0.409 20 0 FBADRM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424250809 484349352 /nfs/dbraw/zinc/34/93/52/484349352.db2.gz UTPIOQNMYYZRFX-NEPJUHHUSA-N -1 0 374.459 -0.019 20 0 FBADRM CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424250810 484348976 /nfs/dbraw/zinc/34/89/76/484348976.db2.gz UTPIOQNMYYZRFX-NWDGAFQWSA-N -1 0 374.459 -0.019 20 0 FBADRM CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424250818 484348271 /nfs/dbraw/zinc/34/82/71/484348271.db2.gz UTPIOQNMYYZRFX-RYUDHWBXSA-N -1 0 374.459 -0.019 20 0 FBADRM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424250821 484348964 /nfs/dbraw/zinc/34/89/64/484348964.db2.gz UTPIOQNMYYZRFX-VXGBXAGGSA-N -1 0 374.459 -0.019 20 0 FBADRM C[C@@H](NC(=O)c1cccs1)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424250909 484348507 /nfs/dbraw/zinc/34/85/07/484348507.db2.gz UVEHXWXRKKRZAW-PSASIEDQSA-N -1 0 360.413 -0.423 20 0 FBADRM C[C@@H](NC(=O)c1cccs1)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424250910 484349323 /nfs/dbraw/zinc/34/93/23/484349323.db2.gz UVEHXWXRKKRZAW-SCZZXKLOSA-N -1 0 360.413 -0.423 20 0 FBADRM C[C@H](NC(=O)c1cccs1)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424250911 484349380 /nfs/dbraw/zinc/34/93/80/484349380.db2.gz UVEHXWXRKKRZAW-WCBMZHEXSA-N -1 0 360.413 -0.423 20 0 FBADRM C[C@H](NC(=O)c1cccs1)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424250912 484349060 /nfs/dbraw/zinc/34/90/60/484349060.db2.gz UVEHXWXRKKRZAW-WPRPVWTQSA-N -1 0 360.413 -0.423 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CCNC(=O)c2ccc(F)cc2)CCS1(=O)=O ZINC000424251599 484348906 /nfs/dbraw/zinc/34/89/06/484348906.db2.gz VFFUOZKBSHWIGJ-GFCCVEGCSA-N -1 0 372.374 -0.344 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CCNC(=O)c2ccc(F)cc2)CCS1(=O)=O ZINC000424251601 484349310 /nfs/dbraw/zinc/34/93/10/484349310.db2.gz VFFUOZKBSHWIGJ-LBPRGKRZSA-N -1 0 372.374 -0.344 20 0 FBADRM CCCC(=O)N1CCC[C@@H](C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424251603 484349288 /nfs/dbraw/zinc/34/92/88/484349288.db2.gz VGOOGKIDCLTGFM-NEPJUHHUSA-N -1 0 360.432 -0.265 20 0 FBADRM CCCC(=O)N1CCC[C@H](C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424251604 484348800 /nfs/dbraw/zinc/34/88/00/484348800.db2.gz VGOOGKIDCLTGFM-NWDGAFQWSA-N -1 0 360.432 -0.265 20 0 FBADRM CCCC(=O)N1CCC[C@H](C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424251606 484348996 /nfs/dbraw/zinc/34/89/96/484348996.db2.gz VGOOGKIDCLTGFM-RYUDHWBXSA-N -1 0 360.432 -0.265 20 0 FBADRM CCCC(=O)N1CCC[C@@H](C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424251607 484349120 /nfs/dbraw/zinc/34/91/20/484349120.db2.gz VGOOGKIDCLTGFM-VXGBXAGGSA-N -1 0 360.432 -0.265 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C[C@H]2Oc3ccccc3NC2=O)CCS1(=O)=O ZINC000424251672 484349361 /nfs/dbraw/zinc/34/93/61/484349361.db2.gz VOANAAWHAGLDRT-NEPJUHHUSA-N -1 0 368.367 -0.514 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C[C@@H]2Oc3ccccc3NC2=O)CCS1(=O)=O ZINC000424251673 484348742 /nfs/dbraw/zinc/34/87/42/484348742.db2.gz VOANAAWHAGLDRT-NWDGAFQWSA-N -1 0 368.367 -0.514 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C[C@@H]2Oc3ccccc3NC2=O)CCS1(=O)=O ZINC000424251674 484349269 /nfs/dbraw/zinc/34/92/69/484349269.db2.gz VOANAAWHAGLDRT-RYUDHWBXSA-N -1 0 368.367 -0.514 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C[C@H]2Oc3ccccc3NC2=O)CCS1(=O)=O ZINC000424251675 484348986 /nfs/dbraw/zinc/34/89/86/484348986.db2.gz VOANAAWHAGLDRT-VXGBXAGGSA-N -1 0 368.367 -0.514 20 0 FBADRM CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424252002 484348860 /nfs/dbraw/zinc/34/88/60/484348860.db2.gz JVNNMRUTLCIWFM-NEPJUHHUSA-N -1 0 360.432 -0.122 20 0 FBADRM CCCC(=O)N1CCCC[C@H]1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424252003 484348328 /nfs/dbraw/zinc/34/83/28/484348328.db2.gz JVNNMRUTLCIWFM-NWDGAFQWSA-N -1 0 360.432 -0.122 20 0 FBADRM CCCC(=O)N1CCCC[C@H]1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424252004 484349113 /nfs/dbraw/zinc/34/91/13/484349113.db2.gz JVNNMRUTLCIWFM-RYUDHWBXSA-N -1 0 360.432 -0.122 20 0 FBADRM CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424252006 484348752 /nfs/dbraw/zinc/34/87/52/484348752.db2.gz JVNNMRUTLCIWFM-VXGBXAGGSA-N -1 0 360.432 -0.122 20 0 FBADRM CCC(=O)N[C@@H](C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000424252031 484348833 /nfs/dbraw/zinc/34/88/33/484348833.db2.gz JWXIGQKCQRQIFV-GXTWGEPZSA-N -1 0 368.411 -0.036 20 0 FBADRM CCC(=O)N[C@H](C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000424252032 484348765 /nfs/dbraw/zinc/34/87/65/484348765.db2.gz JWXIGQKCQRQIFV-JSGCOSHPSA-N -1 0 368.411 -0.036 20 0 FBADRM CCC(=O)N[C@H](C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000424252034 484349277 /nfs/dbraw/zinc/34/92/77/484349277.db2.gz JWXIGQKCQRQIFV-OCCSQVGLSA-N -1 0 368.411 -0.036 20 0 FBADRM CCC(=O)N[C@@H](C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000424252035 484349397 /nfs/dbraw/zinc/34/93/97/484349397.db2.gz JWXIGQKCQRQIFV-TZMCWYRMSA-N -1 0 368.411 -0.036 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)CCS1(=O)=O ZINC000424252097 484348464 /nfs/dbraw/zinc/34/84/64/484348464.db2.gz VTPLBBVUIQWNRW-SSDOTTSWSA-N -1 0 355.294 -0.388 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)CCS1(=O)=O ZINC000424252111 484348928 /nfs/dbraw/zinc/34/89/28/484348928.db2.gz VTPLBBVUIQWNRW-ZETCQYMHSA-N -1 0 355.294 -0.388 20 0 FBADRM Cc1cc(C)nc(SCC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n1 ZINC000424252175 484348492 /nfs/dbraw/zinc/34/84/92/484348492.db2.gz VZHBLABXNMTDMZ-JTQLQIEISA-N -1 0 359.429 -0.104 20 0 FBADRM Cc1cc(C)nc(SCC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n1 ZINC000424252177 484348589 /nfs/dbraw/zinc/34/85/89/484348589.db2.gz VZHBLABXNMTDMZ-SNVBAGLBSA-N -1 0 359.429 -0.104 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CCNC(=O)c2ccsc2)CCS1(=O)=O ZINC000424252211 484348778 /nfs/dbraw/zinc/34/87/78/484348778.db2.gz WDMARJORVMSMCC-JTQLQIEISA-N -1 0 360.413 -0.422 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CCNC(=O)c2ccsc2)CCS1(=O)=O ZINC000424252213 484348945 /nfs/dbraw/zinc/34/89/45/484348945.db2.gz WDMARJORVMSMCC-SNVBAGLBSA-N -1 0 360.413 -0.422 20 0 FBADRM Cc1cc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c2c(=O)[nH]n(C)c2n1 ZINC000424252284 484349299 /nfs/dbraw/zinc/34/92/99/484349299.db2.gz WIHRAWSEKJUGFU-SECBINFHSA-N -1 0 368.371 -0.694 20 0 FBADRM Cc1cc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c2c(=O)[nH]n(C)c2n1 ZINC000424252285 484348898 /nfs/dbraw/zinc/34/88/98/484348898.db2.gz WIHRAWSEKJUGFU-VIFPVBQESA-N -1 0 368.371 -0.694 20 0 FBADRM C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424252588 484348306 /nfs/dbraw/zinc/34/83/06/484348306.db2.gz WMLOQJMEAXKKBI-CMPLNLGQSA-N -1 0 360.432 -0.218 20 0 FBADRM C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424252592 484348703 /nfs/dbraw/zinc/34/87/03/484348703.db2.gz WMLOQJMEAXKKBI-JQWIXIFHSA-N -1 0 360.432 -0.218 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2cn(Cc3cccs3)nn2)CCS1(=O)=O ZINC000424252621 484348643 /nfs/dbraw/zinc/34/86/43/484348643.db2.gz WOPLSZNZUKJQTG-LLVKDONJSA-N -1 0 370.412 -0.288 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2cn(Cc3cccs3)nn2)CCS1(=O)=O ZINC000424252635 484348578 /nfs/dbraw/zinc/34/85/78/484348578.db2.gz WOPLSZNZUKJQTG-NSHDSACASA-N -1 0 370.412 -0.288 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2cccc(-n3ccnn3)c2)CCS1(=O)=O ZINC000424252687 484348516 /nfs/dbraw/zinc/34/85/16/484348516.db2.gz WRFPCESVQVKXCP-GFCCVEGCSA-N -1 0 350.356 -0.409 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2cccc(-n3ccnn3)c2)CCS1(=O)=O ZINC000424252690 484348844 /nfs/dbraw/zinc/34/88/44/484348844.db2.gz WRFPCESVQVKXCP-LBPRGKRZSA-N -1 0 350.356 -0.409 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Cc2ccc(-n3cnnc3)cc2)CCS1(=O)=O ZINC000424252974 484349006 /nfs/dbraw/zinc/34/90/06/484349006.db2.gz FGRNPFIJRJJDDR-CYBMUJFWSA-N -1 0 364.383 -0.480 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Cc2ccc(-n3cnnc3)cc2)CCS1(=O)=O ZINC000424252975 484348546 /nfs/dbraw/zinc/34/85/46/484348546.db2.gz FGRNPFIJRJJDDR-ZDUSSCGKSA-N -1 0 364.383 -0.480 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)Cn1ncc(=O)c2ccccc21 ZINC000424253009 485172960 /nfs/dbraw/zinc/17/29/60/485172960.db2.gz RVZLNOZGYXMZBS-LLVKDONJSA-N -1 0 370.325 -0.811 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)Cn1ncc(=O)c2ccccc21 ZINC000424253011 485172794 /nfs/dbraw/zinc/17/27/94/485172794.db2.gz RVZLNOZGYXMZBS-NSHDSACASA-N -1 0 370.325 -0.811 20 0 FBADRM Cn1c2ccccc2n(CC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1=O ZINC000424253014 484348818 /nfs/dbraw/zinc/34/88/18/484348818.db2.gz WZNHJLYTPOCDQT-GFCCVEGCSA-N -1 0 367.383 -0.950 20 0 FBADRM Cn1c2ccccc2n(CC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1=O ZINC000424253017 484348668 /nfs/dbraw/zinc/34/86/68/484348668.db2.gz WZNHJLYTPOCDQT-LBPRGKRZSA-N -1 0 367.383 -0.950 20 0 FBADRM Cc1c(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)nnn1-c1ccccc1 ZINC000424253652 484349194 /nfs/dbraw/zinc/34/91/94/484349194.db2.gz XVUSFBQTFPVHBY-GFCCVEGCSA-N -1 0 364.383 -0.100 20 0 FBADRM Cc1c(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)nnn1-c1ccccc1 ZINC000424253654 484348713 /nfs/dbraw/zinc/34/87/13/484348713.db2.gz XVUSFBQTFPVHBY-LBPRGKRZSA-N -1 0 364.383 -0.100 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CNC(=O)Cc2ccccc2)CCS1(=O)=O ZINC000424253656 484348679 /nfs/dbraw/zinc/34/86/79/484348679.db2.gz XVXRIRCAJVZABJ-GFCCVEGCSA-N -1 0 354.384 -0.945 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CNC(=O)Cc2ccccc2)CCS1(=O)=O ZINC000424253661 484348852 /nfs/dbraw/zinc/34/88/52/484348852.db2.gz XVXRIRCAJVZABJ-LBPRGKRZSA-N -1 0 354.384 -0.945 20 0 FBADRM COc1cccc(C(=O)NCC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424253686 484349235 /nfs/dbraw/zinc/34/92/35/484349235.db2.gz XXXSKBOGTSOMCT-GFCCVEGCSA-N -1 0 370.383 -0.865 20 0 FBADRM COc1cccc(C(=O)NCC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424253687 484349227 /nfs/dbraw/zinc/34/92/27/484349227.db2.gz XXXSKBOGTSOMCT-LBPRGKRZSA-N -1 0 370.383 -0.865 20 0 FBADRM COc1cc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc2c1OCCO2 ZINC000424253699 484348827 /nfs/dbraw/zinc/34/88/27/484348827.db2.gz XYQLXRFFUSGVOU-GFCCVEGCSA-N -1 0 371.367 -0.210 20 0 FBADRM COc1cc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc2c1OCCO2 ZINC000424253701 484348654 /nfs/dbraw/zinc/34/86/54/484348654.db2.gz XYQLXRFFUSGVOU-LBPRGKRZSA-N -1 0 371.367 -0.210 20 0 FBADRM CC(C)C[C@H](CNC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000424253986 485174955 /nfs/dbraw/zinc/17/49/55/485174955.db2.gz SKPRHDIOINTIRP-LLVKDONJSA-N -1 0 364.402 -0.098 20 0 FBADRM CC(C)C[C@@H](CNC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000424253988 485175041 /nfs/dbraw/zinc/17/50/41/485175041.db2.gz SKPRHDIOINTIRP-NSHDSACASA-N -1 0 364.402 -0.098 20 0 FBADRM Cc1nn(C)c2nc(C)cc(C(=O)N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)c12 ZINC000424254090 484348573 /nfs/dbraw/zinc/34/85/73/484348573.db2.gz YCVGIBILVYCBHZ-LLVKDONJSA-N -1 0 366.399 -0.091 20 0 FBADRM Cc1nn(C)c2nc(C)cc(C(=O)N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)c12 ZINC000424254091 484348319 /nfs/dbraw/zinc/34/83/19/484348319.db2.gz YCVGIBILVYCBHZ-NSHDSACASA-N -1 0 366.399 -0.091 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Cc2ccc3c(c2)OCCO3)CCS1(=O)=O ZINC000424254114 484349247 /nfs/dbraw/zinc/34/92/47/484349247.db2.gz YEZBGKXZMFQPKY-CYBMUJFWSA-N -1 0 355.368 -0.290 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCCO3)CCS1(=O)=O ZINC000424254117 484348481 /nfs/dbraw/zinc/34/84/81/484348481.db2.gz YEZBGKXZMFQPKY-ZDUSSCGKSA-N -1 0 355.368 -0.290 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CCS1(=O)=O ZINC000424254126 484348289 /nfs/dbraw/zinc/34/82/89/484348289.db2.gz YFSQBHBARASIDQ-CMPLNLGQSA-N -1 0 370.358 -0.038 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CCS1(=O)=O ZINC000424254127 484348473 /nfs/dbraw/zinc/34/84/73/484348473.db2.gz YFSQBHBARASIDQ-JQWIXIFHSA-N -1 0 370.358 -0.038 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CCS1(=O)=O ZINC000424254129 484348937 /nfs/dbraw/zinc/34/89/37/484348937.db2.gz YFSQBHBARASIDQ-PWSUYJOCSA-N -1 0 370.358 -0.038 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CCS1(=O)=O ZINC000424254130 484349018 /nfs/dbraw/zinc/34/90/18/484349018.db2.gz YFSQBHBARASIDQ-ZYHUDNBSSA-N -1 0 370.358 -0.038 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2cn(-c3ccccc3)nn2)CCS1(=O)=O ZINC000424254159 484349027 /nfs/dbraw/zinc/34/90/27/484349027.db2.gz YHTLLCTWRWUFOH-GFCCVEGCSA-N -1 0 350.356 -0.409 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nn2)CCS1(=O)=O ZINC000424254160 484348540 /nfs/dbraw/zinc/34/85/40/484348540.db2.gz YHTLLCTWRWUFOH-LBPRGKRZSA-N -1 0 350.356 -0.409 20 0 FBADRM C[C@H]1CCCN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)[C@@H]1C(=O)[O-] ZINC000424254289 485175088 /nfs/dbraw/zinc/17/50/88/485175088.db2.gz LFJFGFXEMNQWSY-GWCFXTLKSA-N -1 0 362.386 -0.250 20 0 FBADRM C[C@H]1CCCN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)[C@H]1C(=O)[O-] ZINC000424254290 485175008 /nfs/dbraw/zinc/17/50/08/485175008.db2.gz LFJFGFXEMNQWSY-GXFFZTMASA-N -1 0 362.386 -0.250 20 0 FBADRM C[C@@H]1CCCN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)[C@@H]1C(=O)[O-] ZINC000424254292 485175303 /nfs/dbraw/zinc/17/53/03/485175303.db2.gz LFJFGFXEMNQWSY-MFKMUULPSA-N -1 0 362.386 -0.250 20 0 FBADRM C[C@@H]1CCCN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)[C@H]1C(=O)[O-] ZINC000424254293 485175557 /nfs/dbraw/zinc/17/55/57/485175557.db2.gz LFJFGFXEMNQWSY-ZWNOBZJWSA-N -1 0 362.386 -0.250 20 0 FBADRM CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424254493 484349390 /nfs/dbraw/zinc/34/93/90/484349390.db2.gz YPLJPRMXKDVWCH-QWRGUYRKSA-N -1 0 361.420 -0.721 20 0 FBADRM CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424254495 484348528 /nfs/dbraw/zinc/34/85/28/484348528.db2.gz YPLJPRMXKDVWCH-WDEREUQCSA-N -1 0 361.420 -0.721 20 0 FBADRM C[C@H]1CCCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)[C@H]1C(=O)[O-] ZINC000424254767 485174536 /nfs/dbraw/zinc/17/45/36/485174536.db2.gz LLULIZLYVRFGLI-GXSJLCMTSA-N -1 0 363.374 -0.855 20 0 FBADRM C[C@@H]1CCCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)[C@@H]1C(=O)[O-] ZINC000424254771 485173850 /nfs/dbraw/zinc/17/38/50/485173850.db2.gz LLULIZLYVRFGLI-KOLCDFICSA-N -1 0 363.374 -0.855 20 0 FBADRM C[C@@H]1CCCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)[C@H]1C(=O)[O-] ZINC000424254775 485174217 /nfs/dbraw/zinc/17/42/17/485174217.db2.gz LLULIZLYVRFGLI-MWLCHTKSSA-N -1 0 363.374 -0.855 20 0 FBADRM C[C@H]1CCCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)[C@@H]1C(=O)[O-] ZINC000424254784 485174187 /nfs/dbraw/zinc/17/41/87/485174187.db2.gz LLULIZLYVRFGLI-ONGXEEELSA-N -1 0 363.374 -0.855 20 0 FBADRM CNC(=O)c1cccc(OCC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424255551 484349264 /nfs/dbraw/zinc/34/92/64/484349264.db2.gz ZWEWHBRKQJZAGS-GFCCVEGCSA-N -1 0 370.383 -0.865 20 0 FBADRM CNC(=O)c1cccc(OCC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424255553 484348868 /nfs/dbraw/zinc/34/88/68/484348868.db2.gz ZWEWHBRKQJZAGS-LBPRGKRZSA-N -1 0 370.383 -0.865 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000424256046 485173636 /nfs/dbraw/zinc/17/36/36/485173636.db2.gz VFTKCOUJRZNIAF-GXSJLCMTSA-N -1 0 363.374 -0.430 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000424256050 485174458 /nfs/dbraw/zinc/17/44/58/485174458.db2.gz VFTKCOUJRZNIAF-KOLCDFICSA-N -1 0 363.374 -0.430 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000424256055 485173919 /nfs/dbraw/zinc/17/39/19/485173919.db2.gz VFTKCOUJRZNIAF-MWLCHTKSSA-N -1 0 363.374 -0.430 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000424256060 485174348 /nfs/dbraw/zinc/17/43/48/485174348.db2.gz VFTKCOUJRZNIAF-ONGXEEELSA-N -1 0 363.374 -0.430 20 0 FBADRM CCC(CC)(CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)[O-] ZINC000424258132 485174633 /nfs/dbraw/zinc/17/46/33/485174633.db2.gz XPRLAEGESOMDFP-UHFFFAOYSA-N -1 0 365.390 -0.559 20 0 FBADRM Cn1cnc(-c2ccc(C(=O)N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)cc2)n1 ZINC000424258332 484349341 /nfs/dbraw/zinc/34/93/41/484349341.db2.gz LSTHUBHWSLPKLI-GFCCVEGCSA-N -1 0 364.383 -0.194 20 0 FBADRM Cn1cnc(-c2ccc(C(=O)N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)cc2)n1 ZINC000424258336 484349215 /nfs/dbraw/zinc/34/92/15/484349215.db2.gz LSTHUBHWSLPKLI-LBPRGKRZSA-N -1 0 364.383 -0.194 20 0 FBADRM CC(C)CC(=O)N[C@H](C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C(C)C ZINC000424258495 484349256 /nfs/dbraw/zinc/34/92/56/484349256.db2.gz NYDGNKAYFCPLET-AAEUAGOBSA-N -1 0 362.448 -0.117 20 0 FBADRM CC(C)CC(=O)N[C@@H](C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C(C)C ZINC000424258496 484349371 /nfs/dbraw/zinc/34/93/71/484349371.db2.gz NYDGNKAYFCPLET-DGCLKSJQSA-N -1 0 362.448 -0.117 20 0 FBADRM CC(C)CC(=O)N[C@@H](C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C(C)C ZINC000424258497 484348599 /nfs/dbraw/zinc/34/85/99/484348599.db2.gz NYDGNKAYFCPLET-WCQYABFASA-N -1 0 362.448 -0.117 20 0 FBADRM CC(C)CC(=O)N[C@H](C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C(C)C ZINC000424258498 484348627 /nfs/dbraw/zinc/34/86/27/484348627.db2.gz NYDGNKAYFCPLET-YPMHNXCESA-N -1 0 362.448 -0.117 20 0 FBADRM CC(C)C[C@@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)[O-] ZINC000424258614 485174467 /nfs/dbraw/zinc/17/44/67/485174467.db2.gz YBYYCKVOOHPVAW-JTQLQIEISA-N -1 0 365.390 -0.703 20 0 FBADRM CC(C)C[C@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)[O-] ZINC000424258615 485174354 /nfs/dbraw/zinc/17/43/54/485174354.db2.gz YBYYCKVOOHPVAW-SNVBAGLBSA-N -1 0 365.390 -0.703 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Cn2cnc(-c3ccccc3)n2)CCS1(=O)=O ZINC000424261024 484348554 /nfs/dbraw/zinc/34/85/54/484348554.db2.gz OQXYZJWGIMRGIQ-GFCCVEGCSA-N -1 0 364.383 -0.345 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2cnc(-c3ccccc3)n2)CCS1(=O)=O ZINC000424261025 484348425 /nfs/dbraw/zinc/34/84/25/484348425.db2.gz OQXYZJWGIMRGIQ-LBPRGKRZSA-N -1 0 364.383 -0.345 20 0 FBADRM CC(=O)Nc1cccc(CC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424261799 484349334 /nfs/dbraw/zinc/34/93/34/484349334.db2.gz PLGOYWNVCRQHRJ-CYBMUJFWSA-N -1 0 354.384 -0.102 20 0 FBADRM CC(=O)Nc1cccc(CC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424261802 484348343 /nfs/dbraw/zinc/34/83/43/484348343.db2.gz PLGOYWNVCRQHRJ-ZDUSSCGKSA-N -1 0 354.384 -0.102 20 0 FBADRM Cc1cccc2nc(CN3CC4N=NC(=O)N4C[C@@H]3C(=O)[O-])cc(=O)n12 ZINC000424262850 485174172 /nfs/dbraw/zinc/17/41/72/485174172.db2.gz RABSIVFMGSISBW-LLVKDONJSA-N -1 0 356.342 -0.231 20 0 FBADRM Cc1cccc2nc(CN3CC4N=NC(=O)N4C[C@H]3C(=O)[O-])cc(=O)n12 ZINC000424262851 485174052 /nfs/dbraw/zinc/17/40/52/485174052.db2.gz RABSIVFMGSISBW-NSHDSACASA-N -1 0 356.342 -0.231 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])cn1C ZINC000424268313 485176016 /nfs/dbraw/zinc/17/60/16/485176016.db2.gz VWXRAJBJCHZBOO-NOZJJQNGSA-N -1 0 358.420 -0.281 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])cn1C ZINC000424268317 485175871 /nfs/dbraw/zinc/17/58/71/485175871.db2.gz VWXRAJBJCHZBOO-RNCFNFMXSA-N -1 0 358.420 -0.281 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])cn1C ZINC000424268320 485174981 /nfs/dbraw/zinc/17/49/81/485174981.db2.gz VWXRAJBJCHZBOO-TVQRCGJNSA-N -1 0 358.420 -0.281 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])cn1C ZINC000424268323 485175200 /nfs/dbraw/zinc/17/52/00/485175200.db2.gz VWXRAJBJCHZBOO-ZANVPECISA-N -1 0 358.420 -0.281 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)CCS1(=O)=O ZINC000424269328 484348564 /nfs/dbraw/zinc/34/85/64/484348564.db2.gz WWWDGGZHESDLOI-CSMHCCOUSA-N -1 0 372.321 -0.846 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)CCS1(=O)=O ZINC000424269331 484348809 /nfs/dbraw/zinc/34/88/09/484348809.db2.gz WWWDGGZHESDLOI-FXQIFTODSA-N -1 0 372.321 -0.846 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)CCS1(=O)=O ZINC000424269333 484348443 /nfs/dbraw/zinc/34/84/43/484348443.db2.gz WWWDGGZHESDLOI-PRJMDXOYSA-N -1 0 372.321 -0.846 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)CCS1(=O)=O ZINC000424269335 484348881 /nfs/dbraw/zinc/34/88/81/484348881.db2.gz WWWDGGZHESDLOI-RNJXMRFFSA-N -1 0 372.321 -0.846 20 0 FBADRM C[C@H]1CCCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@@H]1C(=O)[O-] ZINC000424272862 485175094 /nfs/dbraw/zinc/17/50/94/485175094.db2.gz RNMZNBPEQAQBNY-BBRMVZONSA-N -1 0 354.451 -0.596 20 0 FBADRM C[C@@H]1CCCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@@H]1C(=O)[O-] ZINC000424272863 485175492 /nfs/dbraw/zinc/17/54/92/485175492.db2.gz RNMZNBPEQAQBNY-CJNGLKHVSA-N -1 0 354.451 -0.596 20 0 FBADRM C[C@@H]1CCCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@H]1C(=O)[O-] ZINC000424272964 485175441 /nfs/dbraw/zinc/17/54/41/485175441.db2.gz RNMZNBPEQAQBNY-CZUORRHYSA-N -1 0 354.451 -0.596 20 0 FBADRM C[C@H]1CCCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@H]1C(=O)[O-] ZINC000424272965 485175564 /nfs/dbraw/zinc/17/55/64/485175564.db2.gz RNMZNBPEQAQBNY-XJKSGUPXSA-N -1 0 354.451 -0.596 20 0 FBADRM COc1ccc(C)cc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424362495 484350524 /nfs/dbraw/zinc/35/05/24/484350524.db2.gz ADBDHTMAJVVGCX-GFCCVEGCSA-N -1 0 363.413 -0.124 20 0 FBADRM COc1ccc(C)cc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424362498 484350027 /nfs/dbraw/zinc/35/00/27/484350027.db2.gz ADBDHTMAJVVGCX-LBPRGKRZSA-N -1 0 363.413 -0.124 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2F)CCS1(=O)=O ZINC000424362500 484350233 /nfs/dbraw/zinc/35/02/33/484350233.db2.gz ADLTXCVDCLZBBR-JTQLQIEISA-N -1 0 355.340 -0.163 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(F)cc2F)CCS1(=O)=O ZINC000424362503 484349855 /nfs/dbraw/zinc/34/98/55/484349855.db2.gz ADLTXCVDCLZBBR-SNVBAGLBSA-N -1 0 355.340 -0.163 20 0 FBADRM CC(C)n1cnc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424362521 484350356 /nfs/dbraw/zinc/35/03/56/484350356.db2.gz AELPTWHMXKIJRT-SECBINFHSA-N -1 0 351.406 -0.664 20 0 FBADRM CC(C)n1cnc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424362525 484350299 /nfs/dbraw/zinc/35/02/99/484350299.db2.gz AELPTWHMXKIJRT-VIFPVBQESA-N -1 0 351.406 -0.664 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000424362555 484350459 /nfs/dbraw/zinc/35/04/59/484350459.db2.gz AFPCWJIFZXPBOT-GFCCVEGCSA-N -1 0 363.413 -0.124 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c(C)c1 ZINC000424362558 484350205 /nfs/dbraw/zinc/35/02/05/484350205.db2.gz AFPCWJIFZXPBOT-LBPRGKRZSA-N -1 0 363.413 -0.124 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c(F)c1 ZINC000424362581 484350395 /nfs/dbraw/zinc/35/03/95/484350395.db2.gz AHUQEAJIJSRBME-LLVKDONJSA-N -1 0 367.376 -0.293 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c(F)c1 ZINC000424362584 484350479 /nfs/dbraw/zinc/35/04/79/484350479.db2.gz AHUQEAJIJSRBME-NSHDSACASA-N -1 0 367.376 -0.293 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)Cc2c(F)cccc2F)CCS1(=O)=O ZINC000424362792 484350186 /nfs/dbraw/zinc/35/01/86/484350186.db2.gz AXCJRVZKODVJIO-LLVKDONJSA-N -1 0 369.367 -0.022 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)Cc2c(F)cccc2F)CCS1(=O)=O ZINC000424362793 484350444 /nfs/dbraw/zinc/35/04/44/484350444.db2.gz AXCJRVZKODVJIO-NSHDSACASA-N -1 0 369.367 -0.022 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2c(F)cc(F)cc2F)CCS1(=O)=O ZINC000424363133 484349861 /nfs/dbraw/zinc/34/98/61/484349861.db2.gz BBOFIVBOUSBIMA-SECBINFHSA-N -1 0 373.330 -0.024 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2c(F)cc(F)cc2F)CCS1(=O)=O ZINC000424363134 484350640 /nfs/dbraw/zinc/35/06/40/484350640.db2.gz BBOFIVBOUSBIMA-VIFPVBQESA-N -1 0 373.330 -0.024 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)CCC2CCOCC2)CCS1(=O)=O ZINC000424363640 484349789 /nfs/dbraw/zinc/34/97/89/484349789.db2.gz BUHQOHFFLSPYEO-LLVKDONJSA-N -1 0 355.434 -0.684 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)CCC2CCOCC2)CCS1(=O)=O ZINC000424363641 484350390 /nfs/dbraw/zinc/35/03/90/484350390.db2.gz BUHQOHFFLSPYEO-NSHDSACASA-N -1 0 355.434 -0.684 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc(F)c2F)CCS1(=O)=O ZINC000424363878 484350322 /nfs/dbraw/zinc/35/03/22/484350322.db2.gz CDICGZVDYREMON-SECBINFHSA-N -1 0 355.340 -0.163 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cccc(F)c2F)CCS1(=O)=O ZINC000424363879 484350508 /nfs/dbraw/zinc/35/05/08/484350508.db2.gz CDICGZVDYREMON-VIFPVBQESA-N -1 0 355.340 -0.163 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cc(F)c(F)cc2F)CCS1(=O)=O ZINC000424363960 484350583 /nfs/dbraw/zinc/35/05/83/484350583.db2.gz CLNBWLVRNWNQCK-JTQLQIEISA-N -1 0 373.330 -0.024 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2cc(F)c(F)cc2F)CCS1(=O)=O ZINC000424363962 484350630 /nfs/dbraw/zinc/35/06/30/484350630.db2.gz CLNBWLVRNWNQCK-SNVBAGLBSA-N -1 0 373.330 -0.024 20 0 FBADRM CN(C)c1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1 ZINC000424364021 484350080 /nfs/dbraw/zinc/35/00/80/484350080.db2.gz CQRVNDVEQWSNIG-GFCCVEGCSA-N -1 0 362.429 -0.375 20 0 FBADRM CN(C)c1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1 ZINC000424364023 484350192 /nfs/dbraw/zinc/35/01/92/484350192.db2.gz CQRVNDVEQWSNIG-LBPRGKRZSA-N -1 0 362.429 -0.375 20 0 FBADRM CCOc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cn1 ZINC000424364141 484350573 /nfs/dbraw/zinc/35/05/73/484350573.db2.gz CVUWSFDKIFUSFT-JTQLQIEISA-N -1 0 364.401 -0.647 20 0 FBADRM CCOc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cn1 ZINC000424364145 484350609 /nfs/dbraw/zinc/35/06/09/484350609.db2.gz CVUWSFDKIFUSFT-SNVBAGLBSA-N -1 0 364.401 -0.647 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1F ZINC000424364734 484349945 /nfs/dbraw/zinc/34/99/45/484349945.db2.gz FFMPJPYYTUMCQQ-LLVKDONJSA-N -1 0 367.376 -0.293 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1F ZINC000424364735 484350120 /nfs/dbraw/zinc/35/01/20/484350120.db2.gz FFMPJPYYTUMCQQ-NSHDSACASA-N -1 0 367.376 -0.293 20 0 FBADRM CCn1nc(C)c(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1C ZINC000424364944 484350294 /nfs/dbraw/zinc/35/02/94/484350294.db2.gz FOXWEPBXZUYUIT-JTQLQIEISA-N -1 0 365.433 -0.608 20 0 FBADRM CCn1nc(C)c(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1C ZINC000424364947 484350068 /nfs/dbraw/zinc/35/00/68/484350068.db2.gz FOXWEPBXZUYUIT-SNVBAGLBSA-N -1 0 365.433 -0.608 20 0 FBADRM COCc1ccccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424365019 484350005 /nfs/dbraw/zinc/35/00/05/484350005.db2.gz FUEPQCNNFHJDOR-GFCCVEGCSA-N -1 0 363.413 -0.295 20 0 FBADRM COCc1ccccc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424365020 484350382 /nfs/dbraw/zinc/35/03/82/484350382.db2.gz FUEPQCNNFHJDOR-LBPRGKRZSA-N -1 0 363.413 -0.295 20 0 FBADRM CCC(CC)(CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000424365055 485184690 /nfs/dbraw/zinc/18/46/90/485184690.db2.gz FZCNZDJIFSIHDX-UHFFFAOYSA-N -1 0 371.481 -0.711 20 0 FBADRM CCOc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1 ZINC000424365353 484350178 /nfs/dbraw/zinc/35/01/78/484350178.db2.gz GOVQQRBVFAOHHP-GFCCVEGCSA-N -1 0 363.413 -0.042 20 0 FBADRM CCOc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1 ZINC000424365354 484349781 /nfs/dbraw/zinc/34/97/81/484349781.db2.gz GOVQQRBVFAOHHP-LBPRGKRZSA-N -1 0 363.413 -0.042 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1C ZINC000424365386 484349932 /nfs/dbraw/zinc/34/99/32/484349932.db2.gz GUNGDDXTTHPGTO-GFCCVEGCSA-N -1 0 363.413 -0.124 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1C ZINC000424365387 484350648 /nfs/dbraw/zinc/35/06/48/484350648.db2.gz GUNGDDXTTHPGTO-LBPRGKRZSA-N -1 0 363.413 -0.124 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2cnn(CC(F)F)c2)CCS1(=O)=O ZINC000424365411 484350150 /nfs/dbraw/zinc/35/01/50/484350150.db2.gz GWAUIRZZMNDJIG-MRVPVSSYSA-N -1 0 373.359 -0.980 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cnn(CC(F)F)c2)CCS1(=O)=O ZINC000424365412 484350224 /nfs/dbraw/zinc/35/02/24/484350224.db2.gz GWAUIRZZMNDJIG-QMMMGPOBSA-N -1 0 373.359 -0.980 20 0 FBADRM CN1CCc2ccc(S(=O)(=O)N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)cc21 ZINC000424365836 484349994 /nfs/dbraw/zinc/34/99/94/484349994.db2.gz HUQQGKMEQFSSDK-CYBMUJFWSA-N -1 0 374.440 -0.449 20 0 FBADRM CN1CCc2ccc(S(=O)(=O)N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)cc21 ZINC000424365839 484350314 /nfs/dbraw/zinc/35/03/14/484350314.db2.gz HUQQGKMEQFSSDK-ZDUSSCGKSA-N -1 0 374.440 -0.449 20 0 FBADRM CN(C)c1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cn1 ZINC000424366014 484349834 /nfs/dbraw/zinc/34/98/34/484349834.db2.gz IFSZSICEUVVULI-JTQLQIEISA-N -1 0 363.417 -0.980 20 0 FBADRM CN(C)c1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cn1 ZINC000424366018 484349883 /nfs/dbraw/zinc/34/98/83/484349883.db2.gz IFSZSICEUVVULI-SNVBAGLBSA-N -1 0 363.417 -0.980 20 0 FBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424366451 484350653 /nfs/dbraw/zinc/35/06/53/484350653.db2.gz IXBWREWCUZWOKX-AXFHLTTASA-N -1 0 354.450 -0.607 20 0 FBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424366452 484350407 /nfs/dbraw/zinc/35/04/07/484350407.db2.gz IXBWREWCUZWOKX-GMTAPVOTSA-N -1 0 354.450 -0.607 20 0 FBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424366453 484350441 /nfs/dbraw/zinc/35/04/41/484350441.db2.gz IXBWREWCUZWOKX-MXWKQRLJSA-N -1 0 354.450 -0.607 20 0 FBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424366454 484350431 /nfs/dbraw/zinc/35/04/31/484350431.db2.gz IXBWREWCUZWOKX-OUAUKWLOSA-N -1 0 354.450 -0.607 20 0 FBADRM Cc1nc(C)c(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)s1 ZINC000424366484 484350138 /nfs/dbraw/zinc/35/01/38/484350138.db2.gz JAUOPCORJXJVSI-MRVPVSSYSA-N -1 0 354.431 -0.368 20 0 FBADRM Cc1nc(C)c(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)s1 ZINC000424366485 484350258 /nfs/dbraw/zinc/35/02/58/484350258.db2.gz JAUOPCORJXJVSI-QMMMGPOBSA-N -1 0 354.431 -0.368 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cc(F)cc(F)c2)CCS1(=O)=O ZINC000424366870 484349898 /nfs/dbraw/zinc/34/98/98/484349898.db2.gz JTQGOLYFYRWTQZ-JTQLQIEISA-N -1 0 355.340 -0.163 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2cc(F)cc(F)c2)CCS1(=O)=O ZINC000424366871 484350052 /nfs/dbraw/zinc/35/00/52/484350052.db2.gz JTQGOLYFYRWTQZ-SNVBAGLBSA-N -1 0 355.340 -0.163 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCO3)CCS1(=O)=O ZINC000424367004 484350625 /nfs/dbraw/zinc/35/06/25/484350625.db2.gz KEKXGPRGHVIBPZ-LLVKDONJSA-N -1 0 363.369 -0.712 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OCO3)CCS1(=O)=O ZINC000424367007 484350413 /nfs/dbraw/zinc/35/04/13/484350413.db2.gz KEKXGPRGHVIBPZ-NSHDSACASA-N -1 0 363.369 -0.712 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)CCS1(=O)=O ZINC000424367108 484350420 /nfs/dbraw/zinc/35/04/20/484350420.db2.gz KJSQIOXNFSKNFW-JTQLQIEISA-N -1 0 359.385 -0.565 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)CCS1(=O)=O ZINC000424367109 484350264 /nfs/dbraw/zinc/35/02/64/484350264.db2.gz KJSQIOXNFSKNFW-SNVBAGLBSA-N -1 0 359.385 -0.565 20 0 FBADRM COC(=O)CCCCCS(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424367173 485184974 /nfs/dbraw/zinc/18/49/74/485184974.db2.gz KRJIYNXCKZISNW-JTQLQIEISA-N -1 0 371.433 -0.767 20 0 FBADRM COC(=O)CCCCCS(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424367174 485184679 /nfs/dbraw/zinc/18/46/79/485184679.db2.gz KRJIYNXCKZISNW-SNVBAGLBSA-N -1 0 371.433 -0.767 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2cc(F)c(F)c(F)c2)CCS1(=O)=O ZINC000424367204 484350468 /nfs/dbraw/zinc/35/04/68/484350468.db2.gz KUDUGIOSLFUHLO-SECBINFHSA-N -1 0 373.330 -0.024 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cc(F)c(F)c(F)c2)CCS1(=O)=O ZINC000424367205 484349918 /nfs/dbraw/zinc/34/99/18/484349918.db2.gz KUDUGIOSLFUHLO-VIFPVBQESA-N -1 0 373.330 -0.024 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)CCS1(=O)=O ZINC000424367287 484350533 /nfs/dbraw/zinc/35/05/33/484350533.db2.gz LFSPWSXRROWMDU-JTQLQIEISA-N -1 0 355.340 -0.163 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)CCS1(=O)=O ZINC000424367288 484350215 /nfs/dbraw/zinc/35/02/15/484350215.db2.gz LFSPWSXRROWMDU-SNVBAGLBSA-N -1 0 355.340 -0.163 20 0 FBADRM Cn1cnc2cc(S(=O)(=O)N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)ccc21 ZINC000424367378 484350557 /nfs/dbraw/zinc/35/05/57/484350557.db2.gz LTMGMCULJRCMAY-GFCCVEGCSA-N -1 0 373.412 -0.554 20 0 FBADRM Cn1cnc2cc(S(=O)(=O)N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)ccc21 ZINC000424367379 484350059 /nfs/dbraw/zinc/35/00/59/484350059.db2.gz LTMGMCULJRCMAY-LBPRGKRZSA-N -1 0 373.412 -0.554 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2c(F)cccc2F)CCS1(=O)=O ZINC000424367547 484350016 /nfs/dbraw/zinc/35/00/16/484350016.db2.gz MPCZLXMVNMSQSC-SECBINFHSA-N -1 0 355.340 -0.163 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2c(F)cccc2F)CCS1(=O)=O ZINC000424367548 484350492 /nfs/dbraw/zinc/35/04/92/484350492.db2.gz MPCZLXMVNMSQSC-VIFPVBQESA-N -1 0 355.340 -0.163 20 0 FBADRM CO[C@H](CC(C)C)CS(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424367666 484349939 /nfs/dbraw/zinc/34/99/39/484349939.db2.gz NFRYBYGWLSXCQN-GHMZBOCLSA-N -1 0 357.450 -0.439 20 0 FBADRM CO[C@H](CC(C)C)CS(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424367667 484350604 /nfs/dbraw/zinc/35/06/04/484350604.db2.gz NFRYBYGWLSXCQN-MNOVXSKESA-N -1 0 357.450 -0.439 20 0 FBADRM CO[C@@H](CC(C)C)CS(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424367668 484350351 /nfs/dbraw/zinc/35/03/51/484350351.db2.gz NFRYBYGWLSXCQN-QWRGUYRKSA-N -1 0 357.450 -0.439 20 0 FBADRM CO[C@@H](CC(C)C)CS(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424367669 484349875 /nfs/dbraw/zinc/34/98/75/484349875.db2.gz NFRYBYGWLSXCQN-WDEREUQCSA-N -1 0 357.450 -0.439 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424367696 484350598 /nfs/dbraw/zinc/35/05/98/484350598.db2.gz NKQQZHBALPGIGG-GFCCVEGCSA-N -1 0 361.397 -0.239 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424367697 484350308 /nfs/dbraw/zinc/35/03/08/484350308.db2.gz NKQQZHBALPGIGG-LBPRGKRZSA-N -1 0 361.397 -0.239 20 0 FBADRM CN(C)c1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424367760 484350368 /nfs/dbraw/zinc/35/03/68/484350368.db2.gz NRYWDMDCNPQPHC-GFCCVEGCSA-N -1 0 362.429 -0.375 20 0 FBADRM CN(C)c1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424367761 484350091 /nfs/dbraw/zinc/35/00/91/484350091.db2.gz NRYWDMDCNPQPHC-LBPRGKRZSA-N -1 0 362.429 -0.375 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cccc3c2OCO3)CCS1(=O)=O ZINC000424367773 484350403 /nfs/dbraw/zinc/35/04/03/484350403.db2.gz NTFLFMHQIGUGSI-JTQLQIEISA-N -1 0 363.369 -0.712 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc3c2OCO3)CCS1(=O)=O ZINC000424367774 484350568 /nfs/dbraw/zinc/35/05/68/484350568.db2.gz NTFLFMHQIGUGSI-SNVBAGLBSA-N -1 0 363.369 -0.712 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc3c2OCC3)CCS1(=O)=O ZINC000424367845 484349887 /nfs/dbraw/zinc/34/98/87/484349887.db2.gz OCWNCAVMFMNYAL-LLVKDONJSA-N -1 0 361.397 -0.506 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cccc3c2OCC3)CCS1(=O)=O ZINC000424367846 484350485 /nfs/dbraw/zinc/35/04/85/484350485.db2.gz OCWNCAVMFMNYAL-NSHDSACASA-N -1 0 361.397 -0.506 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2F)CCS1(=O)=O ZINC000424367856 484350635 /nfs/dbraw/zinc/35/06/35/484350635.db2.gz OELTWAJNROIFCZ-JTQLQIEISA-N -1 0 355.340 -0.163 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2cc(F)ccc2F)CCS1(=O)=O ZINC000424367857 484350590 /nfs/dbraw/zinc/35/05/90/484350590.db2.gz OELTWAJNROIFCZ-SNVBAGLBSA-N -1 0 355.340 -0.163 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)sc1C ZINC000424368063 484349815 /nfs/dbraw/zinc/34/98/15/484349815.db2.gz OUSJQGAZFOYBJR-MRVPVSSYSA-N -1 0 354.431 -0.368 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)sc1C ZINC000424368064 484350113 /nfs/dbraw/zinc/35/01/13/484350113.db2.gz OUSJQGAZFOYBJR-QMMMGPOBSA-N -1 0 354.431 -0.368 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1 ZINC000424368230 484350200 /nfs/dbraw/zinc/35/02/00/484350200.db2.gz PIHICNCDZDCOOE-GFCCVEGCSA-N -1 0 361.397 -0.239 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1 ZINC000424368231 484350426 /nfs/dbraw/zinc/35/04/26/484350426.db2.gz PIHICNCDZDCOOE-LBPRGKRZSA-N -1 0 361.397 -0.239 20 0 FBADRM CCOc1ccncc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424368257 484349766 /nfs/dbraw/zinc/34/97/66/484349766.db2.gz PKFIKAXAQZRHQU-LLVKDONJSA-N -1 0 364.401 -0.647 20 0 FBADRM CCOc1ccncc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424368258 484350159 /nfs/dbraw/zinc/35/01/59/484350159.db2.gz PKFIKAXAQZRHQU-NSHDSACASA-N -1 0 364.401 -0.647 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424368274 484350287 /nfs/dbraw/zinc/35/02/87/484350287.db2.gz PKTGLCBWECKDOZ-JTQLQIEISA-N -1 0 368.458 -0.493 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424368277 484350502 /nfs/dbraw/zinc/35/05/02/484350502.db2.gz PKTGLCBWECKDOZ-SNVBAGLBSA-N -1 0 368.458 -0.493 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)Cc2noc3ccccc32)CCS1(=O)=O ZINC000424368593 484350275 /nfs/dbraw/zinc/35/02/75/484350275.db2.gz QCFHNAGHCTYSQG-GFCCVEGCSA-N -1 0 374.396 -0.159 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)Cc2noc3ccccc32)CCS1(=O)=O ZINC000424368594 484350472 /nfs/dbraw/zinc/35/04/72/484350472.db2.gz QCFHNAGHCTYSQG-LBPRGKRZSA-N -1 0 374.396 -0.159 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424368670 484349845 /nfs/dbraw/zinc/34/98/45/484349845.db2.gz QFQMLZJKGJCPBR-JTQLQIEISA-N -1 0 365.433 -0.589 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424368672 484350373 /nfs/dbraw/zinc/35/03/73/484350373.db2.gz QFQMLZJKGJCPBR-SNVBAGLBSA-N -1 0 365.433 -0.589 20 0 FBADRM COc1ccsc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424368749 484350436 /nfs/dbraw/zinc/35/04/36/484350436.db2.gz QKWZSAKTDIDAQY-MRVPVSSYSA-N -1 0 355.415 -0.371 20 0 FBADRM COc1ccsc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424368755 484349803 /nfs/dbraw/zinc/34/98/03/484349803.db2.gz QKWZSAKTDIDAQY-QMMMGPOBSA-N -1 0 355.415 -0.371 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2F)CCS1(=O)=O ZINC000424368795 484350518 /nfs/dbraw/zinc/35/05/18/484350518.db2.gz QMXPMGKTFXIQDB-MRVPVSSYSA-N -1 0 373.330 -0.024 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2F)CCS1(=O)=O ZINC000424368798 484350548 /nfs/dbraw/zinc/35/05/48/484350548.db2.gz QMXPMGKTFXIQDB-QMMMGPOBSA-N -1 0 373.330 -0.024 20 0 FBADRM COc1cccc(CS(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424368800 484351859 /nfs/dbraw/zinc/35/18/59/484351859.db2.gz QMYKAXSZVDYHOG-GFCCVEGCSA-N -1 0 363.413 -0.291 20 0 FBADRM COc1cccc(CS(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424368802 484351798 /nfs/dbraw/zinc/35/17/98/484351798.db2.gz QMYKAXSZVDYHOG-LBPRGKRZSA-N -1 0 363.413 -0.291 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)CCS1(=O)=O ZINC000424369625 484351685 /nfs/dbraw/zinc/35/16/85/484351685.db2.gz RLRAPASRNVHUET-GFCCVEGCSA-N -1 0 361.397 -0.506 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)CCS1(=O)=O ZINC000424369627 484351403 /nfs/dbraw/zinc/35/14/03/484351403.db2.gz RLRAPASRNVHUET-LBPRGKRZSA-N -1 0 361.397 -0.506 20 0 FBADRM COc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)ccc1F ZINC000424369914 484351508 /nfs/dbraw/zinc/35/15/08/484351508.db2.gz RYEASQVATZMTBL-LLVKDONJSA-N -1 0 367.376 -0.293 20 0 FBADRM COc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)ccc1F ZINC000424369917 484351553 /nfs/dbraw/zinc/35/15/53/484351553.db2.gz RYEASQVATZMTBL-NSHDSACASA-N -1 0 367.376 -0.293 20 0 FBADRM C[C@@H]1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)[C@H]1C(=O)[O-] ZINC000424370267 485186313 /nfs/dbraw/zinc/18/63/13/485186313.db2.gz SNORJBHLNFHLHR-GHMZBOCLSA-N -1 0 356.466 -0.217 20 0 FBADRM C[C@@H]1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)[C@@H]1C(=O)[O-] ZINC000424370270 485186089 /nfs/dbraw/zinc/18/60/89/485186089.db2.gz SNORJBHLNFHLHR-MNOVXSKESA-N -1 0 356.466 -0.217 20 0 FBADRM C[C@H]1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)[C@@H]1C(=O)[O-] ZINC000424370272 485186383 /nfs/dbraw/zinc/18/63/83/485186383.db2.gz SNORJBHLNFHLHR-QWRGUYRKSA-N -1 0 356.466 -0.217 20 0 FBADRM C[C@H]1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)[C@H]1C(=O)[O-] ZINC000424370274 485186592 /nfs/dbraw/zinc/18/65/92/485186592.db2.gz SNORJBHLNFHLHR-WDEREUQCSA-N -1 0 356.466 -0.217 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)CCOCC(F)(F)F)CCS1(=O)=O ZINC000424370314 484351266 /nfs/dbraw/zinc/35/12/66/484351266.db2.gz SRMWCARCCMPYJQ-SSDOTTSWSA-N -1 0 369.339 -0.921 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)CCOCC(F)(F)F)CCS1(=O)=O ZINC000424370319 484351883 /nfs/dbraw/zinc/35/18/83/484351883.db2.gz SRMWCARCCMPYJQ-ZETCQYMHSA-N -1 0 369.339 -0.921 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc3c(c2)COC3)CCS1(=O)=O ZINC000424370582 484351617 /nfs/dbraw/zinc/35/16/17/484351617.db2.gz TXULPXGQTIKSGV-GFCCVEGCSA-N -1 0 361.397 -0.411 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)COC3)CCS1(=O)=O ZINC000424370585 484351840 /nfs/dbraw/zinc/35/18/40/484351840.db2.gz TXULPXGQTIKSGV-LBPRGKRZSA-N -1 0 361.397 -0.411 20 0 FBADRM CCCN(CC1CC1)S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424370631 484351746 /nfs/dbraw/zinc/35/17/46/484351746.db2.gz UAPHGTJXGIOHCV-LLVKDONJSA-N -1 0 354.450 -0.463 20 0 FBADRM CCCN(CC1CC1)S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424370640 484351757 /nfs/dbraw/zinc/35/17/57/484351757.db2.gz UAPHGTJXGIOHCV-NSHDSACASA-N -1 0 354.450 -0.463 20 0 FBADRM CCc1ncc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)s1 ZINC000424371081 484351278 /nfs/dbraw/zinc/35/12/78/484351278.db2.gz URUULTIHUZGKFX-SSDOTTSWSA-N -1 0 354.431 -0.422 20 0 FBADRM CCc1ncc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)s1 ZINC000424371082 484351088 /nfs/dbraw/zinc/35/10/88/484351088.db2.gz URUULTIHUZGKFX-ZETCQYMHSA-N -1 0 354.431 -0.422 20 0 FBADRM COCc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1 ZINC000424371423 484351959 /nfs/dbraw/zinc/35/19/59/484351959.db2.gz VAWWATAMJJYWNR-GFCCVEGCSA-N -1 0 363.413 -0.295 20 0 FBADRM COCc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1 ZINC000424371425 484351671 /nfs/dbraw/zinc/35/16/71/484351671.db2.gz VAWWATAMJJYWNR-LBPRGKRZSA-N -1 0 363.413 -0.295 20 0 FBADRM CCOc1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424371434 484351350 /nfs/dbraw/zinc/35/13/50/484351350.db2.gz VBLQPOJWFVRNSL-GFCCVEGCSA-N -1 0 363.413 -0.042 20 0 FBADRM CCOc1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424371436 484351598 /nfs/dbraw/zinc/35/15/98/484351598.db2.gz VBLQPOJWFVRNSL-LBPRGKRZSA-N -1 0 363.413 -0.042 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)N2CCc3ccccc3C2)CCS1(=O)=O ZINC000424371891 484351394 /nfs/dbraw/zinc/35/13/94/484351394.db2.gz VXAINLOPWIXVEM-CYBMUJFWSA-N -1 0 374.440 -0.527 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCc3ccccc3C2)CCS1(=O)=O ZINC000424371892 484351853 /nfs/dbraw/zinc/35/18/53/484351853.db2.gz VXAINLOPWIXVEM-ZDUSSCGKSA-N -1 0 374.440 -0.527 20 0 FBADRM CC(C)n1cc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cn1 ZINC000424372188 484351816 /nfs/dbraw/zinc/35/18/16/484351816.db2.gz WBQHCFROUNPNKE-JTQLQIEISA-N -1 0 351.406 -0.664 20 0 FBADRM CC(C)n1cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cn1 ZINC000424372189 484351214 /nfs/dbraw/zinc/35/12/14/484351214.db2.gz WBQHCFROUNPNKE-SNVBAGLBSA-N -1 0 351.406 -0.664 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)Cc2cccc(F)c2)CCS1(=O)=O ZINC000424372255 484351520 /nfs/dbraw/zinc/35/15/20/484351520.db2.gz WGCXMTKMVLOFKV-LLVKDONJSA-N -1 0 351.377 -0.161 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)Cc2cccc(F)c2)CCS1(=O)=O ZINC000424372257 484351790 /nfs/dbraw/zinc/35/17/90/484351790.db2.gz WGCXMTKMVLOFKV-NSHDSACASA-N -1 0 351.377 -0.161 20 0 FBADRM CCn1cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)nc1C ZINC000424372461 484351417 /nfs/dbraw/zinc/35/14/17/484351417.db2.gz WKVCAEQSAVUANI-SECBINFHSA-N -1 0 351.406 -0.916 20 0 FBADRM CCn1cc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)nc1C ZINC000424372463 484351337 /nfs/dbraw/zinc/35/13/37/484351337.db2.gz WKVCAEQSAVUANI-VIFPVBQESA-N -1 0 351.406 -0.916 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)Cc2ccccc2F)CCS1(=O)=O ZINC000424372567 484351173 /nfs/dbraw/zinc/35/11/73/484351173.db2.gz WTPUEHTUQUBBKI-LLVKDONJSA-N -1 0 351.377 -0.161 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)Cc2ccccc2F)CCS1(=O)=O ZINC000424372569 484351194 /nfs/dbraw/zinc/35/11/94/484351194.db2.gz WTPUEHTUQUBBKI-NSHDSACASA-N -1 0 351.377 -0.161 20 0 FBADRM CN(C1CCCCC1)S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424372638 484351126 /nfs/dbraw/zinc/35/11/26/484351126.db2.gz WXAKUVDBTHLRMO-LLVKDONJSA-N -1 0 354.450 -0.321 20 0 FBADRM CN(C1CCCCC1)S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424372647 484351740 /nfs/dbraw/zinc/35/17/40/484351740.db2.gz WXAKUVDBTHLRMO-NSHDSACASA-N -1 0 354.450 -0.321 20 0 FBADRM COCc1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424373320 484351837 /nfs/dbraw/zinc/35/18/37/484351837.db2.gz XOQVJLDQNAPFMB-GFCCVEGCSA-N -1 0 363.413 -0.295 20 0 FBADRM COCc1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424373322 484757828 /nfs/dbraw/zinc/75/78/28/484757828.db2.gz XOQVJLDQNAPFMB-LBPRGKRZSA-N -1 0 363.413 -0.295 20 0 FBADRM CC(C)c1nc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cn1C ZINC000424373348 484351450 /nfs/dbraw/zinc/35/14/50/484351450.db2.gz XRVXMECNDAXFHT-SECBINFHSA-N -1 0 365.433 -0.584 20 0 FBADRM CC(C)c1nc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cn1C ZINC000424373350 484351466 /nfs/dbraw/zinc/35/14/66/484351466.db2.gz XRVXMECNDAXFHT-VIFPVBQESA-N -1 0 365.433 -0.584 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)CCS1(=O)=O ZINC000424373749 484351101 /nfs/dbraw/zinc/35/11/01/484351101.db2.gz YDSJMNIYMLHJMZ-LLVKDONJSA-N -1 0 351.377 -0.161 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)CCS1(=O)=O ZINC000424373750 484351775 /nfs/dbraw/zinc/35/17/75/484351775.db2.gz YDSJMNIYMLHJMZ-NSHDSACASA-N -1 0 351.377 -0.161 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2cncc(Cl)c2)CCS1(=O)=O ZINC000424374140 484351328 /nfs/dbraw/zinc/35/13/28/484351328.db2.gz YQBDLXIUJMLFLX-SECBINFHSA-N -1 0 354.793 -0.393 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cncc(Cl)c2)CCS1(=O)=O ZINC000424374141 484351923 /nfs/dbraw/zinc/35/19/23/484351923.db2.gz YQBDLXIUJMLFLX-VIFPVBQESA-N -1 0 354.793 -0.393 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2nc(-c3ccccc3)no2)CCS1(=O)=O ZINC000424376479 484351621 /nfs/dbraw/zinc/35/16/21/484351621.db2.gz BTKCCLXYQHCSDZ-JTQLQIEISA-N -1 0 366.355 -0.126 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Nc2nc(-c3ccccc3)no2)CCS1(=O)=O ZINC000424376481 484351367 /nfs/dbraw/zinc/35/13/67/484351367.db2.gz BTKCCLXYQHCSDZ-SNVBAGLBSA-N -1 0 366.355 -0.126 20 0 FBADRM COc1ncnc(N(C)C)c1NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424376959 484351725 /nfs/dbraw/zinc/35/17/25/484351725.db2.gz CVCQOGFLBWDKIO-MRVPVSSYSA-N -1 0 373.391 -0.733 20 0 FBADRM COc1ncnc(N(C)C)c1NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424376963 484351809 /nfs/dbraw/zinc/35/18/09/484351809.db2.gz CVCQOGFLBWDKIO-QMMMGPOBSA-N -1 0 373.391 -0.733 20 0 FBADRM COCCOc1ncccc1NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424377899 484351313 /nfs/dbraw/zinc/35/13/13/484351313.db2.gz FEDNLFZZZCEKFO-LLVKDONJSA-N -1 0 373.387 -0.178 20 0 FBADRM COCCOc1ncccc1NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424377900 484351433 /nfs/dbraw/zinc/35/14/33/484351433.db2.gz FEDNLFZZZCEKFO-NSHDSACASA-N -1 0 373.387 -0.178 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1c1ccc2nnc(C(F)(F)F)n2n1 ZINC000424378461 485186448 /nfs/dbraw/zinc/18/64/48/485186448.db2.gz SRQSQTMJIHKURX-RXMQYKEDSA-N -1 0 370.251 -0.086 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1c1ccc2nnc(C(F)(F)F)n2n1 ZINC000424378463 485185822 /nfs/dbraw/zinc/18/58/22/485185822.db2.gz SRQSQTMJIHKURX-YFKPBYRVSA-N -1 0 370.251 -0.086 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Nc2ncn(C3CCCCC3)n2)CCS1(=O)=O ZINC000424378730 484367977 /nfs/dbraw/zinc/36/79/77/484367977.db2.gz GUSGQQXKOUBTSP-LLVKDONJSA-N -1 0 371.419 0.499 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2ncn(C3CCCCC3)n2)CCS1(=O)=O ZINC000424378735 484368296 /nfs/dbraw/zinc/36/82/96/484368296.db2.gz GUSGQQXKOUBTSP-NSHDSACASA-N -1 0 371.419 0.499 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Nc2ccn(CC(F)F)n2)CCS1(=O)=O ZINC000424380404 484368155 /nfs/dbraw/zinc/36/81/55/484368155.db2.gz JZHNQIIKIKKTFY-SSDOTTSWSA-N -1 0 352.319 -0.136 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccn(CC(F)F)n2)CCS1(=O)=O ZINC000424380405 484368109 /nfs/dbraw/zinc/36/81/09/484368109.db2.gz JZHNQIIKIKKTFY-ZETCQYMHSA-N -1 0 352.319 -0.136 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Nc2ccc(-n3ccnn3)cc2)CCS1(=O)=O ZINC000424381734 484351180 /nfs/dbraw/zinc/35/11/80/484351180.db2.gz NHRZAHZFNUWGTL-GFCCVEGCSA-N -1 0 365.371 -0.017 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccc(-n3ccnn3)cc2)CCS1(=O)=O ZINC000424381736 484351703 /nfs/dbraw/zinc/35/17/03/484351703.db2.gz NHRZAHZFNUWGTL-LBPRGKRZSA-N -1 0 365.371 -0.017 20 0 FBADRM Cc1cc(N(C)C)nc(NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n1 ZINC000424381989 484351932 /nfs/dbraw/zinc/35/19/32/484351932.db2.gz AGHKCEZVCDHRSQ-SECBINFHSA-N -1 0 357.392 -0.433 20 0 FBADRM Cc1cc(N(C)C)nc(NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n1 ZINC000424381995 484351675 /nfs/dbraw/zinc/35/16/75/484351675.db2.gz AGHKCEZVCDHRSQ-VIFPVBQESA-N -1 0 357.392 -0.433 20 0 FBADRM COc1cc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])ccc1F ZINC000424383169 485186092 /nfs/dbraw/zinc/18/60/92/485186092.db2.gz AQAOFNCGWQKJOW-SECBINFHSA-N -1 0 372.334 -0.211 20 0 FBADRM COc1cc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])ccc1F ZINC000424383171 485185982 /nfs/dbraw/zinc/18/59/82/485185982.db2.gz AQAOFNCGWQKJOW-VIFPVBQESA-N -1 0 372.334 -0.211 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCc2ccc3c(c2)OCO3)CCS1(=O)=O ZINC000424383493 484351298 /nfs/dbraw/zinc/35/12/98/484351298.db2.gz CWNQPVBZLDWFIW-GFCCVEGCSA-N -1 0 356.356 -0.192 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCc2ccc3c(c2)OCO3)CCS1(=O)=O ZINC000424383496 484351590 /nfs/dbraw/zinc/35/15/90/484351590.db2.gz CWNQPVBZLDWFIW-LBPRGKRZSA-N -1 0 356.356 -0.192 20 0 FBADRM CC(C)c1nc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])cn1C ZINC000424383850 485186009 /nfs/dbraw/zinc/18/60/09/485186009.db2.gz BNYSWIUDXKHWNR-MRVPVSSYSA-N -1 0 370.391 -0.502 20 0 FBADRM CC(C)c1nc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])cn1C ZINC000424383855 485185863 /nfs/dbraw/zinc/18/58/63/485185863.db2.gz BNYSWIUDXKHWNR-QMMMGPOBSA-N -1 0 370.391 -0.502 20 0 FBADRM Cc1cc(C)n(CCCNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n1 ZINC000424383972 484351562 /nfs/dbraw/zinc/35/15/62/484351562.db2.gz DFPRPFSEYZPEAN-GFCCVEGCSA-N -1 0 358.420 -0.217 20 0 FBADRM Cc1cc(C)n(CCCNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n1 ZINC000424383973 484351156 /nfs/dbraw/zinc/35/11/56/484351156.db2.gz DFPRPFSEYZPEAN-LBPRGKRZSA-N -1 0 358.420 -0.217 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@H]2COc3ccccc3O2)CCS1(=O)=O ZINC000424384004 484351541 /nfs/dbraw/zinc/35/15/41/484351541.db2.gz DLMBRHQVLGPAMG-GWCFXTLKSA-N -1 0 370.383 -0.280 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@H]2COc3ccccc3O2)CCS1(=O)=O ZINC000424384005 484351945 /nfs/dbraw/zinc/35/19/45/484351945.db2.gz DLMBRHQVLGPAMG-GXFFZTMASA-N -1 0 370.383 -0.280 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@@H]2COc3ccccc3O2)CCS1(=O)=O ZINC000424384006 484351783 /nfs/dbraw/zinc/35/17/83/484351783.db2.gz DLMBRHQVLGPAMG-MFKMUULPSA-N -1 0 370.383 -0.280 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@@H]2COc3ccccc3O2)CCS1(=O)=O ZINC000424384007 484351074 /nfs/dbraw/zinc/35/10/74/484351074.db2.gz DLMBRHQVLGPAMG-ZWNOBZJWSA-N -1 0 370.383 -0.280 20 0 FBADRM COC(=O)c1ccnc(NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424384129 485186279 /nfs/dbraw/zinc/18/62/79/485186279.db2.gz RENVVIAVDDYNKU-SECBINFHSA-N -1 0 357.344 -0.416 20 0 FBADRM COC(=O)c1ccnc(NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424384130 485186425 /nfs/dbraw/zinc/18/64/25/485186425.db2.gz RENVVIAVDDYNKU-VIFPVBQESA-N -1 0 357.344 -0.416 20 0 FBADRM CC(C)(CCNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C(=O)[O-] ZINC000424384378 484145149 /nfs/dbraw/zinc/14/51/49/484145149.db2.gz RJLDONAECFTSOC-UHFFFAOYSA-N -1 0 367.406 0.364 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Nc2cnn(CC(F)F)c2)CCS1(=O)=O ZINC000424384403 484351908 /nfs/dbraw/zinc/35/19/08/484351908.db2.gz RNRQKDSWNNSBOH-MRVPVSSYSA-N -1 0 352.319 -0.136 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2cnn(CC(F)F)c2)CCS1(=O)=O ZINC000424384406 484351915 /nfs/dbraw/zinc/35/19/15/484351915.db2.gz RNRQKDSWNNSBOH-QMMMGPOBSA-N -1 0 352.319 -0.136 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1cccc2c1OCC2 ZINC000424384516 485186550 /nfs/dbraw/zinc/18/65/50/485186550.db2.gz BVUSCWLQPQRGNY-SECBINFHSA-N -1 0 366.355 -0.424 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1cccc2c1OCC2 ZINC000424384521 485186079 /nfs/dbraw/zinc/18/60/79/485186079.db2.gz BVUSCWLQPQRGNY-VIFPVBQESA-N -1 0 366.355 -0.424 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])cc1 ZINC000424384668 485187072 /nfs/dbraw/zinc/18/70/72/485187072.db2.gz CJRSPUXXEDTNCC-JTQLQIEISA-N -1 0 354.344 -0.350 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])cc1 ZINC000424384671 485187626 /nfs/dbraw/zinc/18/76/26/485187626.db2.gz CJRSPUXXEDTNCC-SNVBAGLBSA-N -1 0 354.344 -0.350 20 0 FBADRM CCc1ncc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])s1 ZINC000424385285 485186971 /nfs/dbraw/zinc/18/69/71/485186971.db2.gz CSPYUJMRYQNRSS-LURJTMIESA-N -1 0 359.389 -0.340 20 0 FBADRM CCc1ncc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])s1 ZINC000424385289 485187629 /nfs/dbraw/zinc/18/76/29/485187629.db2.gz CSPYUJMRYQNRSS-ZCFIWIBFSA-N -1 0 359.389 -0.340 20 0 FBADRM CCOC(=O)c1cc(NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cn1C ZINC000424385394 485187365 /nfs/dbraw/zinc/18/73/65/485187365.db2.gz UCTQCRJWAUSRCM-LLVKDONJSA-N -1 0 373.387 -0.083 20 0 FBADRM CCOC(=O)c1cc(NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cn1C ZINC000424385396 485187517 /nfs/dbraw/zinc/18/75/17/485187517.db2.gz UCTQCRJWAUSRCM-NSHDSACASA-N -1 0 373.387 -0.083 20 0 FBADRM Cc1nc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])sc1C ZINC000424385406 485187481 /nfs/dbraw/zinc/18/74/81/485187481.db2.gz DAGJJIZMPRQMGD-SSDOTTSWSA-N -1 0 359.389 -0.285 20 0 FBADRM Cc1nc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])sc1C ZINC000424385408 485187665 /nfs/dbraw/zinc/18/76/65/485187665.db2.gz DAGJJIZMPRQMGD-ZETCQYMHSA-N -1 0 359.389 -0.285 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])cc1 ZINC000424385419 485187158 /nfs/dbraw/zinc/18/71/58/485187158.db2.gz DATGPSKWFJFGRB-LLVKDONJSA-N -1 0 366.355 -0.156 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])cc1 ZINC000424385423 485187011 /nfs/dbraw/zinc/18/70/11/485187011.db2.gz DATGPSKWFJFGRB-NSHDSACASA-N -1 0 366.355 -0.156 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCc2cn3ccsc3n2)CCS1(=O)=O ZINC000424385615 484351828 /nfs/dbraw/zinc/35/18/28/484351828.db2.gz GTVZIMOQLOTSEZ-SECBINFHSA-N -1 0 358.401 -0.211 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCc2cn3ccsc3n2)CCS1(=O)=O ZINC000424385620 484351952 /nfs/dbraw/zinc/35/19/52/484351952.db2.gz GTVZIMOQLOTSEZ-VIFPVBQESA-N -1 0 358.401 -0.211 20 0 FBADRM CC(C)C[C@H](CNS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-] ZINC000424386245 485187663 /nfs/dbraw/zinc/18/76/63/485187663.db2.gz DZEAUEDAJGIYMT-LLVKDONJSA-N -1 0 358.482 -0.066 20 0 FBADRM CC(C)C[C@@H](CNS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-] ZINC000424386246 485187671 /nfs/dbraw/zinc/18/76/71/485187671.db2.gz DZEAUEDAJGIYMT-NSHDSACASA-N -1 0 358.482 -0.066 20 0 FBADRM CC(C)(CCNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)[O-] ZINC000424386253 485187568 /nfs/dbraw/zinc/18/75/68/485187568.db2.gz FBHXDJVTDZRQOH-UHFFFAOYSA-N -1 0 355.372 -0.004 20 0 FBADRM CCn1cc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])nc1C ZINC000424386761 485187545 /nfs/dbraw/zinc/18/75/45/485187545.db2.gz FGHUCXADVLBAKX-MRVPVSSYSA-N -1 0 356.364 -0.834 20 0 FBADRM CCn1cc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])nc1C ZINC000424386766 485187289 /nfs/dbraw/zinc/18/72/89/485187289.db2.gz FGHUCXADVLBAKX-QMMMGPOBSA-N -1 0 356.364 -0.834 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1c(F)cccc1F ZINC000424386856 485187478 /nfs/dbraw/zinc/18/74/78/485187478.db2.gz FKZBMXVSCWPSBR-MRVPVSSYSA-N -1 0 360.298 -0.080 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1c(F)cccc1F ZINC000424386859 485187243 /nfs/dbraw/zinc/18/72/43/485187243.db2.gz FKZBMXVSCWPSBR-QMMMGPOBSA-N -1 0 360.298 -0.080 20 0 FBADRM CSc1nsc(NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n1 ZINC000424387211 484351054 /nfs/dbraw/zinc/35/10/54/484351054.db2.gz WUOCEEBGDSQQRT-RXMQYKEDSA-N -1 0 352.419 -0.025 20 0 FBADRM CSc1nsc(NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n1 ZINC000424387214 484351458 /nfs/dbraw/zinc/35/14/58/484351458.db2.gz WUOCEEBGDSQQRT-YFKPBYRVSA-N -1 0 352.419 -0.025 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Nc2cccc(-n3ccnn3)c2)CCS1(=O)=O ZINC000424387365 484351965 /nfs/dbraw/zinc/35/19/65/484351965.db2.gz XHPCMUVSXYJULX-GFCCVEGCSA-N -1 0 365.371 -0.017 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2cccc(-n3ccnn3)c2)CCS1(=O)=O ZINC000424387368 484351665 /nfs/dbraw/zinc/35/16/65/484351665.db2.gz XHPCMUVSXYJULX-LBPRGKRZSA-N -1 0 365.371 -0.017 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCCC(C)(C)C(=O)[O-])cnc21 ZINC000424387606 485187380 /nfs/dbraw/zinc/18/73/80/485187380.db2.gz GFQFANOGKAVQNK-UHFFFAOYSA-N -1 0 370.387 -0.187 20 0 FBADRM CN(C1CCCCC1)S(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424387664 485187630 /nfs/dbraw/zinc/18/76/30/485187630.db2.gz GNBPFFOUFLRERB-JTQLQIEISA-N -1 0 359.408 -0.238 20 0 FBADRM CN(C1CCCCC1)S(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424387675 485187253 /nfs/dbraw/zinc/18/72/53/485187253.db2.gz GNBPFFOUFLRERB-SNVBAGLBSA-N -1 0 359.408 -0.238 20 0 FBADRM Cn1c(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)nc2ccccc21 ZINC000424388090 484351890 /nfs/dbraw/zinc/35/18/90/484351890.db2.gz AQJCDSXGCWSRQP-GFCCVEGCSA-N -1 0 366.399 -0.034 20 0 FBADRM Cn1c(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)nc2ccccc21 ZINC000424388091 484351528 /nfs/dbraw/zinc/35/15/28/484351528.db2.gz AQJCDSXGCWSRQP-LBPRGKRZSA-N -1 0 366.399 -0.034 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCc2cn3ccccc3n2)CCS1(=O)=O ZINC000424388096 484351715 /nfs/dbraw/zinc/35/17/15/484351715.db2.gz AQVJWAQWFLHYPT-GFCCVEGCSA-N -1 0 366.399 -0.230 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCc2cn3ccccc3n2)CCS1(=O)=O ZINC000424388097 484351653 /nfs/dbraw/zinc/35/16/53/484351653.db2.gz AQVJWAQWFLHYPT-LBPRGKRZSA-N -1 0 366.399 -0.230 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])o1 ZINC000424388187 485187639 /nfs/dbraw/zinc/18/76/39/485187639.db2.gz GVBDUVDQCSJFBV-LURJTMIESA-N -1 0 372.315 -0.979 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])o1 ZINC000424388196 485187555 /nfs/dbraw/zinc/18/75/55/485187555.db2.gz GVBDUVDQCSJFBV-ZCFIWIBFSA-N -1 0 372.315 -0.979 20 0 FBADRM COC(=O)c1cc(NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cn1C ZINC000424388940 485187506 /nfs/dbraw/zinc/18/75/06/485187506.db2.gz ZRXNMJKRESJIAK-JTQLQIEISA-N -1 0 359.360 -0.473 20 0 FBADRM COC(=O)c1cc(NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cn1C ZINC000424388943 485187471 /nfs/dbraw/zinc/18/74/71/485187471.db2.gz ZRXNMJKRESJIAK-SNVBAGLBSA-N -1 0 359.360 -0.473 20 0 FBADRM CC(C)Oc1ccc(NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)nn1 ZINC000424389162 484218248 /nfs/dbraw/zinc/21/82/48/484218248.db2.gz KSHOGJOKPTYBGT-SECBINFHSA-N -1 0 358.376 -0.021 20 0 FBADRM CC(C)Oc1ccc(NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)nn1 ZINC000424389165 484217775 /nfs/dbraw/zinc/21/77/75/484217775.db2.gz KSHOGJOKPTYBGT-VIFPVBQESA-N -1 0 358.376 -0.021 20 0 FBADRM COCCc1ccnc(NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424389177 484351976 /nfs/dbraw/zinc/35/19/76/484351976.db2.gz KTDPGMDRFUCLEU-LLVKDONJSA-N -1 0 357.388 -0.014 20 0 FBADRM COCCc1ccnc(NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424389179 484351497 /nfs/dbraw/zinc/35/14/97/484351497.db2.gz KTDPGMDRFUCLEU-NSHDSACASA-N -1 0 357.388 -0.014 20 0 FBADRM Cn1ncc(Cl)c1S(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424390019 485187589 /nfs/dbraw/zinc/18/75/89/485187589.db2.gz IZZGQYZGABVKKK-LURJTMIESA-N -1 0 362.755 -0.972 20 0 FBADRM Cn1ncc(Cl)c1S(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424390023 485187213 /nfs/dbraw/zinc/18/72/13/485187213.db2.gz IZZGQYZGABVKKK-ZCFIWIBFSA-N -1 0 362.755 -0.972 20 0 FBADRM CCOc1ncccc1CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424390129 484351474 /nfs/dbraw/zinc/35/14/74/484351474.db2.gz DSEYZVNLVVVNMS-LLVKDONJSA-N -1 0 357.388 -0.127 20 0 FBADRM CCOc1ncccc1CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424390132 484351548 /nfs/dbraw/zinc/35/15/48/484351548.db2.gz DSEYZVNLVVVNMS-NSHDSACASA-N -1 0 357.388 -0.127 20 0 FBADRM COc1ccccc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424390242 485187456 /nfs/dbraw/zinc/18/74/56/485187456.db2.gz JUGVRIHHAKUECX-MRVPVSSYSA-N -1 0 354.344 -0.350 20 0 FBADRM COc1ccccc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424390244 485187661 /nfs/dbraw/zinc/18/76/61/485187661.db2.gz JUGVRIHHAKUECX-QMMMGPOBSA-N -1 0 354.344 -0.350 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCCNc2ccccn2)CCS1(=O)=O ZINC000424390334 484351424 /nfs/dbraw/zinc/35/14/24/484351424.db2.gz DZIVHOAIWAEXQQ-LLVKDONJSA-N -1 0 356.404 -0.223 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCCNc2ccccn2)CCS1(=O)=O ZINC000424390336 484351380 /nfs/dbraw/zinc/35/13/80/484351380.db2.gz DZIVHOAIWAEXQQ-NSHDSACASA-N -1 0 356.404 -0.223 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424390349 485187581 /nfs/dbraw/zinc/18/75/81/485187581.db2.gz KEOFLFVYYXQPBH-MRVPVSSYSA-N -1 0 373.416 -0.410 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424390354 485187346 /nfs/dbraw/zinc/18/73/46/485187346.db2.gz KEOFLFVYYXQPBH-QMMMGPOBSA-N -1 0 373.416 -0.410 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c1 ZINC000424390714 485187601 /nfs/dbraw/zinc/18/76/01/485187601.db2.gz KYJACPKMDFHPQN-SSDOTTSWSA-N -1 0 372.315 -0.979 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c1 ZINC000424390715 485187044 /nfs/dbraw/zinc/18/70/44/485187044.db2.gz KYJACPKMDFHPQN-ZETCQYMHSA-N -1 0 372.315 -0.979 20 0 FBADRM Cc1nc(C)c(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])s1 ZINC000424390727 485186991 /nfs/dbraw/zinc/18/69/91/485186991.db2.gz KZWPAPVFLHEJLH-SSDOTTSWSA-N -1 0 359.389 -0.285 20 0 FBADRM Cc1nc(C)c(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])s1 ZINC000424390728 485187501 /nfs/dbraw/zinc/18/75/01/485187501.db2.gz KZWPAPVFLHEJLH-ZETCQYMHSA-N -1 0 359.389 -0.285 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)Cc1ccccc1F ZINC000424390764 485187524 /nfs/dbraw/zinc/18/75/24/485187524.db2.gz LJERDCLVPNVXFZ-JTQLQIEISA-N -1 0 356.335 -0.078 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)Cc1ccccc1F ZINC000424390765 485187018 /nfs/dbraw/zinc/18/70/18/485187018.db2.gz LJERDCLVPNVXFZ-SNVBAGLBSA-N -1 0 356.335 -0.078 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCCOC[C@H]2CCCO2)CCS1(=O)=O ZINC000424390791 484351877 /nfs/dbraw/zinc/35/18/77/484351877.db2.gz OLNARVLIZAZXBL-NEPJUHHUSA-N -1 0 364.420 -0.535 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCCOC[C@@H]2CCCO2)CCS1(=O)=O ZINC000424390792 484351487 /nfs/dbraw/zinc/35/14/87/484351487.db2.gz OLNARVLIZAZXBL-NWDGAFQWSA-N -1 0 364.420 -0.535 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCCOC[C@@H]2CCCO2)CCS1(=O)=O ZINC000424390793 484351165 /nfs/dbraw/zinc/35/11/65/484351165.db2.gz OLNARVLIZAZXBL-RYUDHWBXSA-N -1 0 364.420 -0.535 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCCOC[C@H]2CCCO2)CCS1(=O)=O ZINC000424390794 484351902 /nfs/dbraw/zinc/35/19/02/484351902.db2.gz OLNARVLIZAZXBL-VXGBXAGGSA-N -1 0 364.420 -0.535 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCc2cn3ccccc3n2)CCS1(=O)=O ZINC000424390799 484351136 /nfs/dbraw/zinc/35/11/36/484351136.db2.gz ONDRFUXCRRMDEF-LLVKDONJSA-N -1 0 352.372 -0.273 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCc2cn3ccccc3n2)CCS1(=O)=O ZINC000424390800 484351284 /nfs/dbraw/zinc/35/12/84/484351284.db2.gz ONDRFUXCRRMDEF-NSHDSACASA-N -1 0 352.372 -0.273 20 0 FBADRM COc1cncc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c1 ZINC000424390979 485187551 /nfs/dbraw/zinc/18/75/51/485187551.db2.gz LNBABPNTFBOJTH-SECBINFHSA-N -1 0 355.332 -0.955 20 0 FBADRM COc1cncc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c1 ZINC000424390980 485187116 /nfs/dbraw/zinc/18/71/16/485187116.db2.gz LNBABPNTFBOJTH-VIFPVBQESA-N -1 0 355.332 -0.955 20 0 FBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])C1 ZINC000424391337 485187610 /nfs/dbraw/zinc/18/76/10/485187610.db2.gz MRYLIOQATJCODW-AEJSXWLSSA-N -1 0 359.408 -0.525 20 0 FBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])C1 ZINC000424391341 485187497 /nfs/dbraw/zinc/18/74/97/485187497.db2.gz MRYLIOQATJCODW-BBBLOLIVSA-N -1 0 359.408 -0.525 20 0 FBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])C1 ZINC000424391344 485187339 /nfs/dbraw/zinc/18/73/39/485187339.db2.gz MRYLIOQATJCODW-KXUCPTDWSA-N -1 0 359.408 -0.525 20 0 FBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])C1 ZINC000424391346 485187197 /nfs/dbraw/zinc/18/71/97/485187197.db2.gz MRYLIOQATJCODW-OPRDCNLKSA-N -1 0 359.408 -0.525 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCc2ccc3c(c2)OCCO3)CCS1(=O)=O ZINC000424391632 484351708 /nfs/dbraw/zinc/35/17/08/484351708.db2.gz RDKHKKFUQCNJNA-CYBMUJFWSA-N -1 0 370.383 -0.149 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCc2ccc3c(c2)OCCO3)CCS1(=O)=O ZINC000424391633 484351642 /nfs/dbraw/zinc/35/16/42/484351642.db2.gz RDKHKKFUQCNJNA-ZDUSSCGKSA-N -1 0 370.383 -0.149 20 0 FBADRM COc1ccc(C)cc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424391672 485187399 /nfs/dbraw/zinc/18/73/99/485187399.db2.gz NFOIEQCXJDMWJW-SECBINFHSA-N -1 0 368.371 -0.042 20 0 FBADRM COc1ccc(C)cc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424391673 485187528 /nfs/dbraw/zinc/18/75/28/485187528.db2.gz NFOIEQCXJDMWJW-VIFPVBQESA-N -1 0 368.371 -0.042 20 0 FBADRM CC(C)n1cc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])cn1 ZINC000424391699 485187207 /nfs/dbraw/zinc/18/72/07/485187207.db2.gz NLMGGAWPEVIQGR-SECBINFHSA-N -1 0 356.364 -0.581 20 0 FBADRM CC(C)n1cc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])cn1 ZINC000424391701 485187086 /nfs/dbraw/zinc/18/70/86/485187086.db2.gz NLMGGAWPEVIQGR-VIFPVBQESA-N -1 0 356.364 -0.581 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c1 ZINC000424391711 485187035 /nfs/dbraw/zinc/18/70/35/485187035.db2.gz NNIMLVJIXDQRFY-SECBINFHSA-N -1 0 370.391 -0.506 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c1 ZINC000424391713 485186982 /nfs/dbraw/zinc/18/69/82/485186982.db2.gz NNIMLVJIXDQRFY-VIFPVBQESA-N -1 0 370.391 -0.506 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1cc(F)ccc1F ZINC000424391731 485187674 /nfs/dbraw/zinc/18/76/74/485187674.db2.gz NOVABUMAQXEAHT-MRVPVSSYSA-N -1 0 360.298 -0.080 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1cc(F)ccc1F ZINC000424391733 485187143 /nfs/dbraw/zinc/18/71/43/485187143.db2.gz NOVABUMAQXEAHT-QMMMGPOBSA-N -1 0 360.298 -0.080 20 0 FBADRM CN(C)c1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])cc1 ZINC000424391988 485187597 /nfs/dbraw/zinc/18/75/97/485187597.db2.gz NZOXWACJABUIQG-LLVKDONJSA-N -1 0 367.387 -0.293 20 0 FBADRM CN(C)c1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])cc1 ZINC000424391989 485187433 /nfs/dbraw/zinc/18/74/33/485187433.db2.gz NZOXWACJABUIQG-NSHDSACASA-N -1 0 367.387 -0.293 20 0 FBADRM CCOc1ccncc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424392003 485187263 /nfs/dbraw/zinc/18/72/63/485187263.db2.gz OCFMAFDHHIEPHJ-MRVPVSSYSA-N -1 0 369.359 -0.565 20 0 FBADRM CCOc1ccncc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424392004 485187373 /nfs/dbraw/zinc/18/73/73/485187373.db2.gz OCFMAFDHHIEPHJ-QMMMGPOBSA-N -1 0 369.359 -0.565 20 0 FBADRM CCOc1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])cn1 ZINC000424392023 485187060 /nfs/dbraw/zinc/18/70/60/485187060.db2.gz OHJLJCHOTLPNPO-SECBINFHSA-N -1 0 369.359 -0.565 20 0 FBADRM CCOc1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])cn1 ZINC000424392024 485187417 /nfs/dbraw/zinc/18/74/17/485187417.db2.gz OHJLJCHOTLPNPO-VIFPVBQESA-N -1 0 369.359 -0.565 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCc2cccc3c2OCO3)CCS1(=O)=O ZINC000424392093 484351111 /nfs/dbraw/zinc/35/11/11/484351111.db2.gz IWBNHMMTHFZUHE-LLVKDONJSA-N -1 0 356.356 -0.192 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCc2cccc3c2OCO3)CCS1(=O)=O ZINC000424392094 484351259 /nfs/dbraw/zinc/35/12/59/484351259.db2.gz IWBNHMMTHFZUHE-NSHDSACASA-N -1 0 356.356 -0.192 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Nc2nc3cc(Cl)ccn3n2)CCS1(=O)=O ZINC000424392226 484368244 /nfs/dbraw/zinc/36/82/44/484368244.db2.gz SLFQGZKOHWKMRS-MRVPVSSYSA-N -1 0 373.778 0.098 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2nc3cc(Cl)ccn3n2)CCS1(=O)=O ZINC000424392227 484368629 /nfs/dbraw/zinc/36/86/29/484368629.db2.gz SLFQGZKOHWKMRS-QMMMGPOBSA-N -1 0 373.778 0.098 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000424392297 485187669 /nfs/dbraw/zinc/18/76/69/485187669.db2.gz OZGAQORVIWGOOT-MRVPVSSYSA-N -1 0 368.327 -0.630 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000424392298 485187219 /nfs/dbraw/zinc/18/72/19/485187219.db2.gz OZGAQORVIWGOOT-QMMMGPOBSA-N -1 0 368.327 -0.630 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1ccc(F)cc1F ZINC000424392576 485187649 /nfs/dbraw/zinc/18/76/49/485187649.db2.gz PNGOKDNIYRCCNA-MRVPVSSYSA-N -1 0 360.298 -0.080 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1ccc(F)cc1F ZINC000424392577 485187593 /nfs/dbraw/zinc/18/75/93/485187593.db2.gz PNGOKDNIYRCCNA-QMMMGPOBSA-N -1 0 360.298 -0.080 20 0 FBADRM COCc1cccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c1 ZINC000424392586 485187082 /nfs/dbraw/zinc/18/70/82/485187082.db2.gz PONUZAKIMGAFAM-LLVKDONJSA-N -1 0 368.371 -0.212 20 0 FBADRM COCc1cccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c1 ZINC000424392587 485187052 /nfs/dbraw/zinc/18/70/52/485187052.db2.gz PONUZAKIMGAFAM-NSHDSACASA-N -1 0 368.371 -0.212 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)CCC1CCOCC1 ZINC000424392879 485187166 /nfs/dbraw/zinc/18/71/66/485187166.db2.gz QDWPUHAIAYNACT-JTQLQIEISA-N -1 0 360.392 -0.601 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)CCC1CCOCC1 ZINC000424392882 485187541 /nfs/dbraw/zinc/18/75/41/485187541.db2.gz QDWPUHAIAYNACT-SNVBAGLBSA-N -1 0 360.392 -0.601 20 0 FBADRM Cc1nc2ccc(NC(=O)N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)cn2n1 ZINC000424392891 484351764 /nfs/dbraw/zinc/35/17/64/484351764.db2.gz VCFJVBTYBGVQQS-JTQLQIEISA-N -1 0 353.360 -0.247 20 0 FBADRM Cc1nc2ccc(NC(=O)N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)cn2n1 ZINC000424392893 484351822 /nfs/dbraw/zinc/35/18/22/484351822.db2.gz VCFJVBTYBGVQQS-SNVBAGLBSA-N -1 0 353.360 -0.247 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccc(C(F)(F)F)nn2)CCS1(=O)=O ZINC000424393285 484368538 /nfs/dbraw/zinc/36/85/38/484368538.db2.gz WCFPTIVTLXJCMB-LURJTMIESA-N -1 0 368.293 0.211 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Nc2ccc(C(F)(F)F)nn2)CCS1(=O)=O ZINC000424393288 484368180 /nfs/dbraw/zinc/36/81/80/484368180.db2.gz WCFPTIVTLXJCMB-ZCFIWIBFSA-N -1 0 368.293 0.211 20 0 FBADRM CC(C)n1cnc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c1 ZINC000424393302 485187585 /nfs/dbraw/zinc/18/75/85/485187585.db2.gz RHFDTKQZPQSWEY-MRVPVSSYSA-N -1 0 356.364 -0.581 20 0 FBADRM CC(C)n1cnc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c1 ZINC000424393305 485187659 /nfs/dbraw/zinc/18/76/59/485187659.db2.gz RHFDTKQZPQSWEY-QMMMGPOBSA-N -1 0 356.364 -0.581 20 0 FBADRM COCc1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])cc1 ZINC000424393386 485187360 /nfs/dbraw/zinc/18/73/60/485187360.db2.gz RNKWHKOFHCNQJN-LLVKDONJSA-N -1 0 368.371 -0.212 20 0 FBADRM COCc1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])cc1 ZINC000424393389 485187026 /nfs/dbraw/zinc/18/70/26/485187026.db2.gz RNKWHKOFHCNQJN-NSHDSACASA-N -1 0 368.371 -0.212 20 0 FBADRM COc1ccc(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1O ZINC000424393852 484351846 /nfs/dbraw/zinc/35/18/46/484351846.db2.gz MOWFRFHGARXKDP-GFCCVEGCSA-N -1 0 358.372 -0.206 20 0 FBADRM COc1ccc(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1O ZINC000424393853 484351895 /nfs/dbraw/zinc/35/18/95/484351895.db2.gz MOWFRFHGARXKDP-LBPRGKRZSA-N -1 0 358.372 -0.206 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000424393877 485187391 /nfs/dbraw/zinc/18/73/91/485187391.db2.gz RUXDLZSBOJRGJH-JTQLQIEISA-N -1 0 366.355 -0.424 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000424393878 485188096 /nfs/dbraw/zinc/18/80/96/485188096.db2.gz RUXDLZSBOJRGJH-SNVBAGLBSA-N -1 0 366.355 -0.424 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1cccc(F)c1F ZINC000424393882 485188127 /nfs/dbraw/zinc/18/81/27/485188127.db2.gz RVDNMVGHNJONTL-SSDOTTSWSA-N -1 0 360.298 -0.080 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1cccc(F)c1F ZINC000424393883 485188112 /nfs/dbraw/zinc/18/81/12/485188112.db2.gz RVDNMVGHNJONTL-ZETCQYMHSA-N -1 0 360.298 -0.080 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])cc1C ZINC000424393896 485188490 /nfs/dbraw/zinc/18/84/90/485188490.db2.gz RYOJMVLWXSQCFI-JTQLQIEISA-N -1 0 368.371 -0.042 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])cc1C ZINC000424393897 485188344 /nfs/dbraw/zinc/18/83/44/485188344.db2.gz RYOJMVLWXSQCFI-SNVBAGLBSA-N -1 0 368.371 -0.042 20 0 FBADRM COCC[C@@H](C)CCS(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424393950 485188534 /nfs/dbraw/zinc/18/85/34/485188534.db2.gz SJUVWYLAQLQYBD-NXEZZACHSA-N -1 0 362.408 -0.355 20 0 FBADRM COCC[C@H](C)CCS(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424393951 485188121 /nfs/dbraw/zinc/18/81/21/485188121.db2.gz SJUVWYLAQLQYBD-UWVGGRQHSA-N -1 0 362.408 -0.355 20 0 FBADRM COCC[C@H](C)CCS(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424393952 485188504 /nfs/dbraw/zinc/18/85/04/485188504.db2.gz SJUVWYLAQLQYBD-VHSXEESVSA-N -1 0 362.408 -0.355 20 0 FBADRM COCC[C@@H](C)CCS(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424393953 485187930 /nfs/dbraw/zinc/18/79/30/485187930.db2.gz SJUVWYLAQLQYBD-ZJUUUORDSA-N -1 0 362.408 -0.355 20 0 FBADRM CCn1nc(C)c(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c1C ZINC000424394361 485187937 /nfs/dbraw/zinc/18/79/37/485187937.db2.gz SPNFSRDXVSEFTN-SECBINFHSA-N -1 0 370.391 -0.525 20 0 FBADRM CCn1nc(C)c(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c1C ZINC000424394362 485188525 /nfs/dbraw/zinc/18/85/25/485188525.db2.gz SPNFSRDXVSEFTN-VIFPVBQESA-N -1 0 370.391 -0.525 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1cncc(Cl)c1 ZINC000424394405 485187973 /nfs/dbraw/zinc/18/79/73/485187973.db2.gz SWQUQXODAAQFAO-MRVPVSSYSA-N -1 0 359.751 -0.310 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1cncc(Cl)c1 ZINC000424394406 485188049 /nfs/dbraw/zinc/18/80/49/485188049.db2.gz SWQUQXODAAQFAO-QMMMGPOBSA-N -1 0 359.751 -0.310 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)Cc1ccc(F)cc1 ZINC000424394463 485187904 /nfs/dbraw/zinc/18/79/04/485187904.db2.gz UACMNEJCSZCDRZ-JTQLQIEISA-N -1 0 356.335 -0.078 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)Cc1ccc(F)cc1 ZINC000424394464 485188365 /nfs/dbraw/zinc/18/83/65/485188365.db2.gz UACMNEJCSZCDRZ-SNVBAGLBSA-N -1 0 356.335 -0.078 20 0 FBADRM Cn1cc(Cl)c(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n1 ZINC000424394779 484351580 /nfs/dbraw/zinc/35/15/80/484351580.db2.gz DOKLLRMXIXAQMA-SECBINFHSA-N -1 0 350.784 -0.533 20 0 FBADRM Cn1cc(Cl)c(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n1 ZINC000424394784 484351630 /nfs/dbraw/zinc/35/16/30/484351630.db2.gz DOKLLRMXIXAQMA-VIFPVBQESA-N -1 0 350.784 -0.533 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)CCS1(=O)=O ZINC000424394845 484351439 /nfs/dbraw/zinc/35/14/39/484351439.db2.gz DTVSFQZGCIDBPS-AXFHLTTASA-N -1 0 359.404 -0.967 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)CCS1(=O)=O ZINC000424394847 484352953 /nfs/dbraw/zinc/35/29/53/484352953.db2.gz DTVSFQZGCIDBPS-DCAQKATOSA-N -1 0 359.404 -0.967 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)CCS1(=O)=O ZINC000424394849 484353078 /nfs/dbraw/zinc/35/30/78/484353078.db2.gz DTVSFQZGCIDBPS-MXWKQRLJSA-N -1 0 359.404 -0.967 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2C[C@H]3CCCCN3C2=O)CCS1(=O)=O ZINC000424394851 484353132 /nfs/dbraw/zinc/35/31/32/484353132.db2.gz DTVSFQZGCIDBPS-VWYCJHECSA-N -1 0 359.404 -0.967 20 0 FBADRM CO[C@H](CC(C)C)CS(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424394890 485188116 /nfs/dbraw/zinc/18/81/16/485188116.db2.gz UOMFGGDBFLOUIT-NXEZZACHSA-N -1 0 362.408 -0.357 20 0 FBADRM CO[C@@H](CC(C)C)CS(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424394892 485188230 /nfs/dbraw/zinc/18/82/30/485188230.db2.gz UOMFGGDBFLOUIT-UWVGGRQHSA-N -1 0 362.408 -0.357 20 0 FBADRM CO[C@@H](CC(C)C)CS(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424394895 485188002 /nfs/dbraw/zinc/18/80/02/485188002.db2.gz UOMFGGDBFLOUIT-VHSXEESVSA-N -1 0 362.408 -0.357 20 0 FBADRM CO[C@H](CC(C)C)CS(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424394896 485188033 /nfs/dbraw/zinc/18/80/33/485188033.db2.gz UOMFGGDBFLOUIT-ZJUUUORDSA-N -1 0 362.408 -0.357 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c1 ZINC000424394915 485188103 /nfs/dbraw/zinc/18/81/03/485188103.db2.gz UQLZVXPJVLCVMY-LLVKDONJSA-N -1 0 366.355 -0.156 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c1 ZINC000424394917 485188482 /nfs/dbraw/zinc/18/84/82/485188482.db2.gz UQLZVXPJVLCVMY-NSHDSACASA-N -1 0 366.355 -0.156 20 0 FBADRM COC(=O)c1cc(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)oc1C ZINC000424395098 485188358 /nfs/dbraw/zinc/18/83/58/485188358.db2.gz OGTUVERHIDYUPB-LLVKDONJSA-N -1 0 374.371 -0.232 20 0 FBADRM COC(=O)c1cc(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)oc1C ZINC000424395111 485188275 /nfs/dbraw/zinc/18/82/75/485188275.db2.gz OGTUVERHIDYUPB-NSHDSACASA-N -1 0 374.371 -0.232 20 0 FBADRM COc1cccc(CS(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c1 ZINC000424395250 485188463 /nfs/dbraw/zinc/18/84/63/485188463.db2.gz VAQPBJBCVCBAAV-LLVKDONJSA-N -1 0 368.371 -0.209 20 0 FBADRM COc1cccc(CS(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c1 ZINC000424395251 485188020 /nfs/dbraw/zinc/18/80/20/485188020.db2.gz VAQPBJBCVCBAAV-NSHDSACASA-N -1 0 368.371 -0.209 20 0 FBADRM CN(C)c1cccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c1 ZINC000424395312 485187923 /nfs/dbraw/zinc/18/79/23/485187923.db2.gz VOYQVLNTTYUMPE-LLVKDONJSA-N -1 0 367.387 -0.293 20 0 FBADRM CN(C)c1cccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c1 ZINC000424395313 485188029 /nfs/dbraw/zinc/18/80/29/485188029.db2.gz VOYQVLNTTYUMPE-NSHDSACASA-N -1 0 367.387 -0.293 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000424395320 485188089 /nfs/dbraw/zinc/18/80/89/485188089.db2.gz VPKXEJHDLUKWCJ-SECBINFHSA-N -1 0 360.298 -0.080 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000424395321 485188552 /nfs/dbraw/zinc/18/85/52/485188552.db2.gz VPKXEJHDLUKWCJ-VIFPVBQESA-N -1 0 360.298 -0.080 20 0 FBADRM CN(C)c1ncccc1CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424395355 484353219 /nfs/dbraw/zinc/35/32/19/484353219.db2.gz OOYYLVRPUOIGJG-LLVKDONJSA-N -1 0 356.404 -0.459 20 0 FBADRM CN(C)c1ncccc1CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424395377 484352508 /nfs/dbraw/zinc/35/25/08/484352508.db2.gz OOYYLVRPUOIGJG-NSHDSACASA-N -1 0 356.404 -0.459 20 0 FBADRM COc1ccsc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424395786 485188371 /nfs/dbraw/zinc/18/83/71/485188371.db2.gz WGSUEMHOCQSNIL-LURJTMIESA-N -1 0 360.373 -0.289 20 0 FBADRM COc1ccsc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424395789 485188520 /nfs/dbraw/zinc/18/85/20/485188520.db2.gz WGSUEMHOCQSNIL-ZCFIWIBFSA-N -1 0 360.373 -0.289 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCc2cn3c(n2)CCCC3)CCS1(=O)=O ZINC000424395862 484352599 /nfs/dbraw/zinc/35/25/99/484352599.db2.gz PJJWVGWOVPFBFW-GFCCVEGCSA-N -1 0 370.431 -0.345 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCc2cn3c(n2)CCCC3)CCS1(=O)=O ZINC000424395863 484353136 /nfs/dbraw/zinc/35/31/36/484353136.db2.gz PJJWVGWOVPFBFW-LBPRGKRZSA-N -1 0 370.431 -0.345 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1cccc2c1OCO2 ZINC000424396094 485188485 /nfs/dbraw/zinc/18/84/85/485188485.db2.gz WNGQCONADCKMFH-SSDOTTSWSA-N -1 0 368.327 -0.630 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1cccc2c1OCO2 ZINC000424396097 485188237 /nfs/dbraw/zinc/18/82/37/485188237.db2.gz WNGQCONADCKMFH-ZETCQYMHSA-N -1 0 368.327 -0.630 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1ccc2c(c1)COC2 ZINC000424396111 485187952 /nfs/dbraw/zinc/18/79/52/485187952.db2.gz WOSMXFDTKCRYBM-LLVKDONJSA-N -1 0 366.355 -0.328 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1ccc2c(c1)COC2 ZINC000424396113 485188156 /nfs/dbraw/zinc/18/81/56/485188156.db2.gz WOSMXFDTKCRYBM-NSHDSACASA-N -1 0 366.355 -0.328 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c(F)c1 ZINC000424396188 485188249 /nfs/dbraw/zinc/18/82/49/485188249.db2.gz WWGMUMWYCRGKKP-SECBINFHSA-N -1 0 372.334 -0.211 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c(F)c1 ZINC000424396191 485188016 /nfs/dbraw/zinc/18/80/16/485188016.db2.gz WWGMUMWYCRGKKP-VIFPVBQESA-N -1 0 372.334 -0.211 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])cc1F ZINC000424396204 485188262 /nfs/dbraw/zinc/18/82/62/485188262.db2.gz WZPJFFLMIFBJNU-SECBINFHSA-N -1 0 372.334 -0.211 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])cc1F ZINC000424396205 485188536 /nfs/dbraw/zinc/18/85/36/485188536.db2.gz WZPJFFLMIFBJNU-VIFPVBQESA-N -1 0 372.334 -0.211 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000424396485 485188435 /nfs/dbraw/zinc/18/84/35/485188435.db2.gz XEXGTTNBJVYCCZ-SECBINFHSA-N -1 0 360.298 -0.080 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000424396486 485188269 /nfs/dbraw/zinc/18/82/69/485188269.db2.gz XEXGTTNBJVYCCZ-VIFPVBQESA-N -1 0 360.298 -0.080 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000424396676 485188057 /nfs/dbraw/zinc/18/80/57/485188057.db2.gz IDHFDAAJUDXTTP-UHFFFAOYSA-N -1 0 356.423 -0.134 20 0 FBADRM CN(C)c1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])cn1 ZINC000424396887 485188381 /nfs/dbraw/zinc/18/83/81/485188381.db2.gz YKSCBLZCKXIUHF-SECBINFHSA-N -1 0 368.375 -0.898 20 0 FBADRM CN(C)c1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])cn1 ZINC000424396890 485188242 /nfs/dbraw/zinc/18/82/42/485188242.db2.gz YKSCBLZCKXIUHF-VIFPVBQESA-N -1 0 368.375 -0.898 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000424396904 485187993 /nfs/dbraw/zinc/18/79/93/485187993.db2.gz YMERNWXNDXFEOB-MRVPVSSYSA-N -1 0 368.375 -0.826 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000424396909 485188163 /nfs/dbraw/zinc/18/81/63/485188163.db2.gz YMERNWXNDXFEOB-QMMMGPOBSA-N -1 0 368.375 -0.826 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])cn1 ZINC000424396931 485188281 /nfs/dbraw/zinc/18/82/81/485188281.db2.gz YRPLEZRNAUKRNY-MRVPVSSYSA-N -1 0 355.332 -0.955 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])cn1 ZINC000424396933 485188341 /nfs/dbraw/zinc/18/83/41/485188341.db2.gz YRPLEZRNAUKRNY-QMMMGPOBSA-N -1 0 355.332 -0.955 20 0 FBADRM COCC1(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCOCC1 ZINC000424397119 484352972 /nfs/dbraw/zinc/35/29/72/484352972.db2.gz JDTGMOCPGRBHFP-LLVKDONJSA-N -1 0 364.420 -0.677 20 0 FBADRM COCC1(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCOCC1 ZINC000424397120 484353046 /nfs/dbraw/zinc/35/30/46/484353046.db2.gz JDTGMOCPGRBHFP-NSHDSACASA-N -1 0 364.420 -0.677 20 0 FBADRM COCc1ccccc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424397185 485188326 /nfs/dbraw/zinc/18/83/26/485188326.db2.gz YWYHGAZQKNYFLB-JTQLQIEISA-N -1 0 368.371 -0.212 20 0 FBADRM COCc1ccccc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424397186 485188148 /nfs/dbraw/zinc/18/81/48/485188148.db2.gz YWYHGAZQKNYFLB-SNVBAGLBSA-N -1 0 368.371 -0.212 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c(C)c1 ZINC000424397296 485188429 /nfs/dbraw/zinc/18/84/29/485188429.db2.gz ZIAHGADOTQFDEI-JTQLQIEISA-N -1 0 368.371 -0.042 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c(C)c1 ZINC000424397298 485187944 /nfs/dbraw/zinc/18/79/44/485187944.db2.gz ZIAHGADOTQFDEI-SNVBAGLBSA-N -1 0 368.371 -0.042 20 0 FBADRM Cc1nn(C)c(C)c1CCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424397303 484353027 /nfs/dbraw/zinc/35/30/27/484353027.db2.gz SADIHSQDKPNVSG-GFCCVEGCSA-N -1 0 358.420 -0.527 20 0 FBADRM Cc1nn(C)c(C)c1CCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424397310 484352449 /nfs/dbraw/zinc/35/24/49/484352449.db2.gz SADIHSQDKPNVSG-LBPRGKRZSA-N -1 0 358.420 -0.527 20 0 FBADRM Cn1nc2c(c1CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)CCCC2 ZINC000424397417 484352642 /nfs/dbraw/zinc/35/26/42/484352642.db2.gz JVXVGUHEEGJSFX-CYBMUJFWSA-N -1 0 370.431 -0.308 20 0 FBADRM Cn1nc2c(c1CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)CCCC2 ZINC000424397422 484352688 /nfs/dbraw/zinc/35/26/88/484352688.db2.gz JVXVGUHEEGJSFX-ZDUSSCGKSA-N -1 0 370.431 -0.308 20 0 FBADRM C[C@H](COCC(F)(F)F)NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424397657 484353257 /nfs/dbraw/zinc/35/32/57/484353257.db2.gz SOWMJKYGPAAYKW-HTQZYQBOSA-N -1 0 362.326 -0.153 20 0 FBADRM C[C@@H](COCC(F)(F)F)NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424397659 484352870 /nfs/dbraw/zinc/35/28/70/484352870.db2.gz SOWMJKYGPAAYKW-JGVFFNPUSA-N -1 0 362.326 -0.153 20 0 FBADRM C[C@H](COCC(F)(F)F)NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424397660 484353158 /nfs/dbraw/zinc/35/31/58/484353158.db2.gz SOWMJKYGPAAYKW-SFYZADRCSA-N -1 0 362.326 -0.153 20 0 FBADRM C[C@@H](COCC(F)(F)F)NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424397662 484353021 /nfs/dbraw/zinc/35/30/21/484353021.db2.gz SOWMJKYGPAAYKW-YUMQZZPRSA-N -1 0 362.326 -0.153 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCNC(=O)c2ccccc2)CCS1(=O)=O ZINC000424397689 484353056 /nfs/dbraw/zinc/35/30/56/484353056.db2.gz SSILBJQJVKNNED-GFCCVEGCSA-N -1 0 369.399 -0.690 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCNC(=O)c2ccccc2)CCS1(=O)=O ZINC000424397693 484352788 /nfs/dbraw/zinc/35/27/88/484352788.db2.gz SSILBJQJVKNNED-LBPRGKRZSA-N -1 0 369.399 -0.690 20 0 FBADRM CNC(=O)c1cccc(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424397728 484353248 /nfs/dbraw/zinc/35/32/48/484353248.db2.gz SUZIJDDQDVZGLW-GFCCVEGCSA-N -1 0 369.399 -0.561 20 0 FBADRM CNC(=O)c1cccc(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424397731 484353111 /nfs/dbraw/zinc/35/31/11/484353111.db2.gz SUZIJDDQDVZGLW-LBPRGKRZSA-N -1 0 369.399 -0.561 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCc2cn3c(n2)CCCC3)CCS1(=O)=O ZINC000424398224 484353012 /nfs/dbraw/zinc/35/30/12/484353012.db2.gz UUKSWUBYDRTVOF-LLVKDONJSA-N -1 0 356.404 -0.387 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCc2cn3c(n2)CCCC3)CCS1(=O)=O ZINC000424398225 484352697 /nfs/dbraw/zinc/35/26/97/484352697.db2.gz UUKSWUBYDRTVOF-NSHDSACASA-N -1 0 356.404 -0.387 20 0 FBADRM Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424398686 484352740 /nfs/dbraw/zinc/35/27/40/484352740.db2.gz VVHKZQHPOMBOHH-CMPLNLGQSA-N -1 0 356.404 -0.309 20 0 FBADRM Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424398687 484352938 /nfs/dbraw/zinc/35/29/38/484352938.db2.gz VVHKZQHPOMBOHH-JQWIXIFHSA-N -1 0 356.404 -0.309 20 0 FBADRM Cn1ncc2c1CCC[C@H]2NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424398688 484352572 /nfs/dbraw/zinc/35/25/72/484352572.db2.gz VVHKZQHPOMBOHH-PWSUYJOCSA-N -1 0 356.404 -0.309 20 0 FBADRM Cn1ncc2c1CCC[C@H]2NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424398689 484352844 /nfs/dbraw/zinc/35/28/44/484352844.db2.gz VVHKZQHPOMBOHH-ZYHUDNBSSA-N -1 0 356.404 -0.309 20 0 FBADRM CNC(=O)c1ccc(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1 ZINC000424398762 484353197 /nfs/dbraw/zinc/35/31/97/484353197.db2.gz WCNZBJQWLCCWSL-GFCCVEGCSA-N -1 0 369.399 -0.561 20 0 FBADRM CC(C)(CCNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C(=O)[O-] ZINC000424398814 485188390 /nfs/dbraw/zinc/18/83/90/485188390.db2.gz OYWZZRIFPHDHPQ-UHFFFAOYSA-N -1 0 353.383 -0.972 20 0 FBADRM CNC(=O)c1ccc(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1 ZINC000424398958 484352815 /nfs/dbraw/zinc/35/28/15/484352815.db2.gz WCNZBJQWLCCWSL-LBPRGKRZSA-N -1 0 369.399 -0.561 20 0 FBADRM CN(C)c1ccc(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cn1 ZINC000424399085 484353004 /nfs/dbraw/zinc/35/30/04/484353004.db2.gz WQIDBYDURMGRQU-LLVKDONJSA-N -1 0 356.404 -0.459 20 0 FBADRM CN(C)c1ccc(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cn1 ZINC000424399086 484353208 /nfs/dbraw/zinc/35/32/08/484353208.db2.gz WQIDBYDURMGRQU-NSHDSACASA-N -1 0 356.404 -0.459 20 0 FBADRM CC(C)(CCNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C(=O)[O-] ZINC000424399136 485188206 /nfs/dbraw/zinc/18/82/06/485188206.db2.gz POLFTQLKOCGTMM-UHFFFAOYSA-N -1 0 354.407 -0.380 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCc2noc3c2CCCC3)CCS1(=O)=O ZINC000424399222 484352824 /nfs/dbraw/zinc/35/28/24/484352824.db2.gz PSHUVRFWJPODFI-GFCCVEGCSA-N -1 0 357.388 -0.053 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCc2noc3c2CCCC3)CCS1(=O)=O ZINC000424399223 484353178 /nfs/dbraw/zinc/35/31/78/484353178.db2.gz PSHUVRFWJPODFI-LBPRGKRZSA-N -1 0 357.388 -0.053 20 0 FBADRM COc1ccc(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c(OC)n1 ZINC000424399499 484352913 /nfs/dbraw/zinc/35/29/13/484352913.db2.gz QHYOFLBRDSNEJD-JTQLQIEISA-N -1 0 373.387 -0.508 20 0 FBADRM COc1ccc(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c(OC)n1 ZINC000424399500 484352523 /nfs/dbraw/zinc/35/25/23/484352523.db2.gz QHYOFLBRDSNEJD-SNVBAGLBSA-N -1 0 373.387 -0.508 20 0 FBADRM CC(C)(C)c1nnc(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)[nH]1 ZINC000424399786 484353085 /nfs/dbraw/zinc/35/30/85/484353085.db2.gz ROVLLFYIXBTSRO-MRVPVSSYSA-N -1 0 359.408 -0.505 20 0 FBADRM Cc1ccc(NCCCNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)nc1 ZINC000424399855 484404736 /nfs/dbraw/zinc/40/47/36/484404736.db2.gz YEWICLDQWCOFCF-GFCCVEGCSA-N -1 0 370.431 0.085 20 0 FBADRM Cc1ccc(NCCCNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)nc1 ZINC000424399856 484405316 /nfs/dbraw/zinc/40/53/16/484405316.db2.gz YEWICLDQWCOFCF-LBPRGKRZSA-N -1 0 370.431 0.085 20 0 FBADRM CC(C)(C)c1nnc(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)[nH]1 ZINC000424399918 484352987 /nfs/dbraw/zinc/35/29/87/484352987.db2.gz ROVLLFYIXBTSRO-QMMMGPOBSA-N -1 0 359.408 -0.505 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCC(=O)N2CCCCC2)CCS1(=O)=O ZINC000424400061 484353051 /nfs/dbraw/zinc/35/30/51/484353051.db2.gz YPTKMHXODMVOHX-LLVKDONJSA-N -1 0 361.420 -0.718 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCC(=O)N2CCCCC2)CCS1(=O)=O ZINC000424400062 484352959 /nfs/dbraw/zinc/35/29/59/484352959.db2.gz YPTKMHXODMVOHX-NSHDSACASA-N -1 0 361.420 -0.718 20 0 FBADRM COc1ncccc1CCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424400186 484352554 /nfs/dbraw/zinc/35/25/54/484352554.db2.gz SWNLPHDWWMQZHV-LLVKDONJSA-N -1 0 357.388 -0.474 20 0 FBADRM COc1ncccc1CCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424400187 484352747 /nfs/dbraw/zinc/35/27/47/484352747.db2.gz SWNLPHDWWMQZHV-NSHDSACASA-N -1 0 357.388 -0.474 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@@H]2Cc3ccccc3O2)CCS1(=O)=O ZINC000424400530 484353192 /nfs/dbraw/zinc/35/31/92/484353192.db2.gz ZOIOSLPOJSQOLI-AAEUAGOBSA-N -1 0 354.384 -0.117 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@H]2Cc3ccccc3O2)CCS1(=O)=O ZINC000424400531 484352833 /nfs/dbraw/zinc/35/28/33/484352833.db2.gz ZOIOSLPOJSQOLI-DGCLKSJQSA-N -1 0 354.384 -0.117 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@@H]2Cc3ccccc3O2)CCS1(=O)=O ZINC000424400532 484352358 /nfs/dbraw/zinc/35/23/58/484352358.db2.gz ZOIOSLPOJSQOLI-WCQYABFASA-N -1 0 354.384 -0.117 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@H]2Cc3ccccc3O2)CCS1(=O)=O ZINC000424400533 484352944 /nfs/dbraw/zinc/35/29/44/484352944.db2.gz ZOIOSLPOJSQOLI-YPMHNXCESA-N -1 0 354.384 -0.117 20 0 FBADRM CN(C)c1cccnc1CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424401224 484352895 /nfs/dbraw/zinc/35/28/95/484352895.db2.gz YTIWQAWYMDNFKN-GFCCVEGCSA-N -1 0 356.404 -0.459 20 0 FBADRM CN(C)c1cccnc1CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424401225 484352672 /nfs/dbraw/zinc/35/26/72/484352672.db2.gz YTIWQAWYMDNFKN-LBPRGKRZSA-N -1 0 356.404 -0.459 20 0 FBADRM CCC[C@@H](C)C(=O)NCCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424401348 484353230 /nfs/dbraw/zinc/35/32/30/484353230.db2.gz ZSKWPPGOPULVMU-GHMZBOCLSA-N -1 0 363.436 -0.568 20 0 FBADRM CCC[C@@H](C)C(=O)NCCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424401349 484353128 /nfs/dbraw/zinc/35/31/28/484353128.db2.gz ZSKWPPGOPULVMU-MNOVXSKESA-N -1 0 363.436 -0.568 20 0 FBADRM CCC[C@H](C)C(=O)NCCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424401350 484353150 /nfs/dbraw/zinc/35/31/50/484353150.db2.gz ZSKWPPGOPULVMU-QWRGUYRKSA-N -1 0 363.436 -0.568 20 0 FBADRM CCC[C@H](C)C(=O)NCCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424401351 484352777 /nfs/dbraw/zinc/35/27/77/484352777.db2.gz ZSKWPPGOPULVMU-WDEREUQCSA-N -1 0 363.436 -0.568 20 0 FBADRM CC(C)(CCNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000424401357 485187978 /nfs/dbraw/zinc/18/79/78/485187978.db2.gz ZUTMKVSMYBYHQN-UHFFFAOYSA-N -1 0 368.434 -0.037 20 0 FBADRM CC(C)(CCNC(=O)NCCNS(=O)(=O)Cc1ccon1)C(=O)[O-] ZINC000424401658 485188556 /nfs/dbraw/zinc/18/85/56/485188556.db2.gz CEZORKIDSCJLMC-UHFFFAOYSA-N -1 0 362.408 -0.106 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCC(=O)Nc2ccccc2)CCS1(=O)=O ZINC000424401902 484352459 /nfs/dbraw/zinc/35/24/59/484352459.db2.gz CJCWEZUWINQRSY-GFCCVEGCSA-N -1 0 369.399 -0.092 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCC(=O)Nc2ccccc2)CCS1(=O)=O ZINC000424401903 484353070 /nfs/dbraw/zinc/35/30/70/484353070.db2.gz CJCWEZUWINQRSY-LBPRGKRZSA-N -1 0 369.399 -0.092 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCc2ccn3ccnc3c2)CCS1(=O)=O ZINC000424402176 484353097 /nfs/dbraw/zinc/35/30/97/484353097.db2.gz DAWHLYGRNDWUSJ-LLVKDONJSA-N -1 0 352.372 -0.273 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCc2ccn3ccnc3c2)CCS1(=O)=O ZINC000424402177 484352626 /nfs/dbraw/zinc/35/26/26/484352626.db2.gz DAWHLYGRNDWUSJ-NSHDSACASA-N -1 0 352.372 -0.273 20 0 FBADRM CCCCOCCOCCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424402254 484352755 /nfs/dbraw/zinc/35/27/55/484352755.db2.gz DEQDMBCYTKECSF-GFCCVEGCSA-N -1 0 366.436 -0.287 20 0 FBADRM CCCCOCCOCCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424402259 484353094 /nfs/dbraw/zinc/35/30/94/484353094.db2.gz DEQDMBCYTKECSF-LBPRGKRZSA-N -1 0 366.436 -0.287 20 0 FBADRM CCc1nc2n(n1)C[C@H](NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)CC2 ZINC000424403271 484352720 /nfs/dbraw/zinc/35/27/20/484352720.db2.gz FIMOBXNLXGQJJX-NXEZZACHSA-N -1 0 371.419 -0.952 20 0 FBADRM CCc1nc2n(n1)C[C@@H](NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)CC2 ZINC000424403274 484353147 /nfs/dbraw/zinc/35/31/47/484353147.db2.gz FIMOBXNLXGQJJX-UWVGGRQHSA-N -1 0 371.419 -0.952 20 0 FBADRM CCc1nc2n(n1)C[C@@H](NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)CC2 ZINC000424403276 484352763 /nfs/dbraw/zinc/35/27/63/484352763.db2.gz FIMOBXNLXGQJJX-VHSXEESVSA-N -1 0 371.419 -0.952 20 0 FBADRM CCc1nc2n(n1)C[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)CC2 ZINC000424403279 484352423 /nfs/dbraw/zinc/35/24/23/484352423.db2.gz FIMOBXNLXGQJJX-ZJUUUORDSA-N -1 0 371.419 -0.952 20 0 FBADRM CC(C)OC(=O)[C@H](C)CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424403330 485187964 /nfs/dbraw/zinc/18/79/64/485187964.db2.gz FLIKHQCRGFIDGF-NXEZZACHSA-N -1 0 350.393 -0.533 20 0 FBADRM CC(C)OC(=O)[C@@H](C)CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424403337 485188352 /nfs/dbraw/zinc/18/83/52/485188352.db2.gz FLIKHQCRGFIDGF-UWVGGRQHSA-N -1 0 350.393 -0.533 20 0 FBADRM CC(C)OC(=O)[C@@H](C)CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424403340 485188422 /nfs/dbraw/zinc/18/84/22/485188422.db2.gz FLIKHQCRGFIDGF-VHSXEESVSA-N -1 0 350.393 -0.533 20 0 FBADRM CC(C)OC(=O)[C@H](C)CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424403344 485188508 /nfs/dbraw/zinc/18/85/08/485188508.db2.gz FLIKHQCRGFIDGF-ZJUUUORDSA-N -1 0 350.393 -0.533 20 0 FBADRM CCN(CC)C(=O)CCCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424403758 484352899 /nfs/dbraw/zinc/35/28/99/484352899.db2.gz FQQMNKSZAVCBOX-LLVKDONJSA-N -1 0 363.436 -0.472 20 0 FBADRM CCN(CC)C(=O)CCCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424403759 484353082 /nfs/dbraw/zinc/35/30/82/484353082.db2.gz FQQMNKSZAVCBOX-NSHDSACASA-N -1 0 363.436 -0.472 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC1 ZINC000424404017 485188215 /nfs/dbraw/zinc/18/82/15/485188215.db2.gz BVMMYQXXRPNZQV-AWEZNQCLSA-N -1 0 372.466 -0.177 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000424404018 485188495 /nfs/dbraw/zinc/18/84/95/485188495.db2.gz BVMMYQXXRPNZQV-CQSZACIVSA-N -1 0 372.466 -0.177 20 0 FBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424404479 484352857 /nfs/dbraw/zinc/35/28/57/484352857.db2.gz GPSMAEBBHNMAPJ-GMTAPVOTSA-N -1 0 350.393 -0.926 20 0 FBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424404480 484353161 /nfs/dbraw/zinc/35/31/61/484353161.db2.gz GPSMAEBBHNMAPJ-MXWKQRLJSA-N -1 0 350.393 -0.926 20 0 FBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424404481 484353189 /nfs/dbraw/zinc/35/31/89/484353189.db2.gz GPSMAEBBHNMAPJ-OUAUKWLOSA-N -1 0 350.393 -0.926 20 0 FBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424404482 484353067 /nfs/dbraw/zinc/35/30/67/484353067.db2.gz GPSMAEBBHNMAPJ-VWYCJHECSA-N -1 0 350.393 -0.926 20 0 FBADRM CNS(=O)(=O)NC1CCN(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000424405605 485187440 /nfs/dbraw/zinc/18/74/40/485187440.db2.gz DYLOZTSAGPKWJF-LLVKDONJSA-N -1 0 364.468 -0.039 20 0 FBADRM CNS(=O)(=O)NC1CCN(C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC1 ZINC000424405606 485187652 /nfs/dbraw/zinc/18/76/52/485187652.db2.gz DYLOZTSAGPKWJF-NSHDSACASA-N -1 0 364.468 -0.039 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCn2cnc3ccccc32)CCS1(=O)=O ZINC000424405700 484352586 /nfs/dbraw/zinc/35/25/86/484352586.db2.gz IKGRPSDZHRWGHP-CYBMUJFWSA-N -1 0 366.399 -0.071 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCn2cnc3ccccc32)CCS1(=O)=O ZINC000424405701 484352387 /nfs/dbraw/zinc/35/23/87/484352387.db2.gz IKGRPSDZHRWGHP-ZDUSSCGKSA-N -1 0 366.399 -0.071 20 0 FBADRM Cc1nccn1C[C@@H](C)CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424406868 484352491 /nfs/dbraw/zinc/35/24/91/484352491.db2.gz JSOBYZRVQZBZJI-CMPLNLGQSA-N -1 0 358.420 -0.279 20 0 FBADRM Cc1nccn1C[C@@H](C)CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424406870 484353120 /nfs/dbraw/zinc/35/31/20/484353120.db2.gz JSOBYZRVQZBZJI-JQWIXIFHSA-N -1 0 358.420 -0.279 20 0 FBADRM Cc1nccn1C[C@H](C)CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424406871 484353168 /nfs/dbraw/zinc/35/31/68/484353168.db2.gz JSOBYZRVQZBZJI-PWSUYJOCSA-N -1 0 358.420 -0.279 20 0 FBADRM Cc1nccn1C[C@H](C)CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424406872 484352658 /nfs/dbraw/zinc/35/26/58/484352658.db2.gz JSOBYZRVQZBZJI-ZYHUDNBSSA-N -1 0 358.420 -0.279 20 0 FBADRM CC(C)Cn1ccnc1CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424407523 484353234 /nfs/dbraw/zinc/35/32/34/484353234.db2.gz KISPFJYNFRATDY-LLVKDONJSA-N -1 0 358.420 -0.068 20 0 FBADRM CC(C)Cn1ccnc1CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424407524 484353032 /nfs/dbraw/zinc/35/30/32/484353032.db2.gz KISPFJYNFRATDY-NSHDSACASA-N -1 0 358.420 -0.068 20 0 FBADRM CNS(=O)(=O)NC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000424407681 485189068 /nfs/dbraw/zinc/18/90/68/485189068.db2.gz SZIQQMLFHNVRDV-UHFFFAOYSA-N -1 0 350.441 -0.285 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@H]2CCCn3ccnc32)CCS1(=O)=O ZINC000424408164 484352473 /nfs/dbraw/zinc/35/24/73/484352473.db2.gz KZIIXBBAOLKDBD-GHMZBOCLSA-N -1 0 356.404 -0.346 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@H]2CCCn3ccnc32)CCS1(=O)=O ZINC000424408165 484352927 /nfs/dbraw/zinc/35/29/27/484352927.db2.gz KZIIXBBAOLKDBD-MNOVXSKESA-N -1 0 356.404 -0.346 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@@H]2CCCn3ccnc32)CCS1(=O)=O ZINC000424408166 484353074 /nfs/dbraw/zinc/35/30/74/484353074.db2.gz KZIIXBBAOLKDBD-QWRGUYRKSA-N -1 0 356.404 -0.346 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@@H]2CCCn3ccnc32)CCS1(=O)=O ZINC000424408167 484352978 /nfs/dbraw/zinc/35/29/78/484352978.db2.gz KZIIXBBAOLKDBD-WDEREUQCSA-N -1 0 356.404 -0.346 20 0 FBADRM CCC(CC)(CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C(=O)[O-] ZINC000424409626 485188933 /nfs/dbraw/zinc/18/89/33/485188933.db2.gz HAIWAGBTGWBRCT-UHFFFAOYSA-N -1 0 367.410 -0.582 20 0 FBADRM Cc1nccn1CCCCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424410180 484353060 /nfs/dbraw/zinc/35/30/60/484353060.db2.gz MUIUNLFPRXKFBI-GFCCVEGCSA-N -1 0 358.420 -0.135 20 0 FBADRM Cc1nccn1CCCCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424410181 484352802 /nfs/dbraw/zinc/35/28/02/484352802.db2.gz MUIUNLFPRXKFBI-LBPRGKRZSA-N -1 0 358.420 -0.135 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCCO[C@@H]2CCOC2)CCS1(=O)=O ZINC000424412388 484352922 /nfs/dbraw/zinc/35/29/22/484352922.db2.gz QCHCSUKUJIHMRJ-GHMZBOCLSA-N -1 0 350.393 -0.925 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCCO[C@@H]2CCOC2)CCS1(=O)=O ZINC000424412393 484352772 /nfs/dbraw/zinc/35/27/72/484352772.db2.gz QCHCSUKUJIHMRJ-MNOVXSKESA-N -1 0 350.393 -0.925 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCCO[C@H]2CCOC2)CCS1(=O)=O ZINC000424412396 484352371 /nfs/dbraw/zinc/35/23/71/484352371.db2.gz QCHCSUKUJIHMRJ-QWRGUYRKSA-N -1 0 350.393 -0.925 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCCO[C@H]2CCOC2)CCS1(=O)=O ZINC000424412398 484353931 /nfs/dbraw/zinc/35/39/31/484353931.db2.gz QCHCSUKUJIHMRJ-WDEREUQCSA-N -1 0 350.393 -0.925 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCOc2ncccc2F)CCS1(=O)=O ZINC000424412946 484353865 /nfs/dbraw/zinc/35/38/65/484353865.db2.gz QMCLYSKUJGXYLX-JTQLQIEISA-N -1 0 361.351 -0.507 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCOc2ncccc2F)CCS1(=O)=O ZINC000424412947 484354182 /nfs/dbraw/zinc/35/41/82/484354182.db2.gz QMCLYSKUJGXYLX-SNVBAGLBSA-N -1 0 361.351 -0.507 20 0 FBADRM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424414506 484354026 /nfs/dbraw/zinc/35/40/26/484354026.db2.gz SJVNGASKGXPQAO-NOZJJQNGSA-N -1 0 372.447 -0.139 20 0 FBADRM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424414509 484354441 /nfs/dbraw/zinc/35/44/41/484354441.db2.gz SJVNGASKGXPQAO-RNCFNFMXSA-N -1 0 372.447 -0.139 20 0 FBADRM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424414512 484354422 /nfs/dbraw/zinc/35/44/22/484354422.db2.gz SJVNGASKGXPQAO-TVQRCGJNSA-N -1 0 372.447 -0.139 20 0 FBADRM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424414514 484353973 /nfs/dbraw/zinc/35/39/73/484353973.db2.gz SJVNGASKGXPQAO-ZANVPECISA-N -1 0 372.447 -0.139 20 0 FBADRM CS(=O)(=O)c1cccc(CN2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c1 ZINC000424415292 484354352 /nfs/dbraw/zinc/35/43/52/484354352.db2.gz SBXZGJWFJKURRH-LLVKDONJSA-N -1 0 352.372 -0.144 20 0 FBADRM CS(=O)(=O)c1cccc(CN2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c1 ZINC000424415293 484353604 /nfs/dbraw/zinc/35/36/04/484353604.db2.gz SBXZGJWFJKURRH-NSHDSACASA-N -1 0 352.372 -0.144 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000424417000 485189553 /nfs/dbraw/zinc/18/95/53/485189553.db2.gz VJZBZJWVNJUJBZ-UHFFFAOYSA-N -1 0 356.423 -0.133 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCCN2CCCCC2=O)CCS1(=O)=O ZINC000424419403 484358860 /nfs/dbraw/zinc/35/88/60/484358860.db2.gz XJCISXXQBRGXOM-LLVKDONJSA-N -1 0 361.420 -0.718 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCCN2CCCCC2=O)CCS1(=O)=O ZINC000424419404 484358214 /nfs/dbraw/zinc/35/82/14/484358214.db2.gz XJCISXXQBRGXOM-NSHDSACASA-N -1 0 361.420 -0.718 20 0 FBADRM CC(C)(C)N1C[C@H](NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1=O ZINC000424419776 484358627 /nfs/dbraw/zinc/35/86/27/484358627.db2.gz YAKJSSBBMMCBTP-NXEZZACHSA-N -1 0 361.420 -0.721 20 0 FBADRM CC(C)(C)N1C[C@@H](NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1=O ZINC000424419777 484358590 /nfs/dbraw/zinc/35/85/90/484358590.db2.gz YAKJSSBBMMCBTP-UWVGGRQHSA-N -1 0 361.420 -0.721 20 0 FBADRM CC(C)(C)N1C[C@@H](NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1=O ZINC000424419778 484358284 /nfs/dbraw/zinc/35/82/84/484358284.db2.gz YAKJSSBBMMCBTP-VHSXEESVSA-N -1 0 361.420 -0.721 20 0 FBADRM CC(C)(C)N1C[C@H](NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1=O ZINC000424419779 484359036 /nfs/dbraw/zinc/35/90/36/484359036.db2.gz YAKJSSBBMMCBTP-ZJUUUORDSA-N -1 0 361.420 -0.721 20 0 FBADRM CC(C)C[C@@H](CCO)CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424419802 484358849 /nfs/dbraw/zinc/35/88/49/484358849.db2.gz YHJIMIOHDXONBM-NEPJUHHUSA-N -1 0 350.437 -0.076 20 0 FBADRM CC(C)C[C@H](CCO)CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424419803 484358773 /nfs/dbraw/zinc/35/87/73/484358773.db2.gz YHJIMIOHDXONBM-NWDGAFQWSA-N -1 0 350.437 -0.076 20 0 FBADRM CC(C)C[C@H](CCO)CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424419804 484358753 /nfs/dbraw/zinc/35/87/53/484358753.db2.gz YHJIMIOHDXONBM-RYUDHWBXSA-N -1 0 350.437 -0.076 20 0 FBADRM CC(C)C[C@@H](CCO)CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424419805 484358677 /nfs/dbraw/zinc/35/86/77/484358677.db2.gz YHJIMIOHDXONBM-VXGBXAGGSA-N -1 0 350.437 -0.076 20 0 FBADRM CC(C)C[C@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C(=O)[O-] ZINC000424422937 485190216 /nfs/dbraw/zinc/19/02/16/485190216.db2.gz NMIWZNKOPWVMGT-GFCCVEGCSA-N -1 0 368.434 -0.134 20 0 FBADRM CC(C)C[C@@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C(=O)[O-] ZINC000424422938 485190612 /nfs/dbraw/zinc/19/06/12/485190612.db2.gz NMIWZNKOPWVMGT-LBPRGKRZSA-N -1 0 368.434 -0.134 20 0 FBADRM CC(C)C[C@H](CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C(=O)[O-] ZINC000424428964 485190345 /nfs/dbraw/zinc/19/03/45/485190345.db2.gz YQXGRUCFAILXPC-GFCCVEGCSA-N -1 0 367.410 -0.726 20 0 FBADRM CC(C)C[C@@H](CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C(=O)[O-] ZINC000424428965 485189922 /nfs/dbraw/zinc/18/99/22/485189922.db2.gz YQXGRUCFAILXPC-LBPRGKRZSA-N -1 0 367.410 -0.726 20 0 FBADRM Cc1ccc(F)c(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424432475 484358469 /nfs/dbraw/zinc/35/84/69/484358469.db2.gz AKVVJZZJPLSCMY-LLVKDONJSA-N -1 0 358.347 -0.217 20 0 FBADRM Cc1ccc(F)c(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424432477 484358876 /nfs/dbraw/zinc/35/88/76/484358876.db2.gz AKVVJZZJPLSCMY-NSHDSACASA-N -1 0 358.347 -0.217 20 0 FBADRM CC(=O)c1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1 ZINC000424432510 484359009 /nfs/dbraw/zinc/35/90/09/484359009.db2.gz AOLXHGZFTPBCPS-GFCCVEGCSA-N -1 0 368.367 -0.462 20 0 FBADRM CC(=O)c1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1 ZINC000424432513 484359045 /nfs/dbraw/zinc/35/90/45/484359045.db2.gz AOLXHGZFTPBCPS-LBPRGKRZSA-N -1 0 368.367 -0.462 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c(C)n1 ZINC000424433131 484358926 /nfs/dbraw/zinc/35/89/26/484358926.db2.gz BMLNSZBLAZTXOG-LLVKDONJSA-N -1 0 355.372 -0.653 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c(C)n1 ZINC000424433134 484358529 /nfs/dbraw/zinc/35/85/29/484358529.db2.gz BMLNSZBLAZTXOG-NSHDSACASA-N -1 0 355.372 -0.653 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424433249 484410263 /nfs/dbraw/zinc/41/02/63/484410263.db2.gz DKCWWBPPUPSVDT-UHFFFAOYSA-N -1 0 354.363 0.152 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2OCO3)CCS1(=O)=O ZINC000424433513 484358943 /nfs/dbraw/zinc/35/89/43/484358943.db2.gz BVLOYCFETOVQKQ-JTQLQIEISA-N -1 0 370.339 -0.936 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cccc3c2OCO3)CCS1(=O)=O ZINC000424433515 484358599 /nfs/dbraw/zinc/35/85/99/484358599.db2.gz BVLOYCFETOVQKQ-SNVBAGLBSA-N -1 0 370.339 -0.936 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)ccc1F ZINC000424433612 484358405 /nfs/dbraw/zinc/35/84/05/484358405.db2.gz CGBOLOZBPQMKTR-LLVKDONJSA-N -1 0 358.347 -0.217 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)ccc1F ZINC000424433616 484358613 /nfs/dbraw/zinc/35/86/13/484358613.db2.gz CGBOLOZBPQMKTR-NSHDSACASA-N -1 0 358.347 -0.217 20 0 FBADRM CCc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424434160 484358988 /nfs/dbraw/zinc/35/89/88/484358988.db2.gz CSPKUCRTXYECSD-GFCCVEGCSA-N -1 0 354.384 -0.102 20 0 FBADRM CCc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424434161 484358801 /nfs/dbraw/zinc/35/88/01/484358801.db2.gz CSPKUCRTXYECSD-LBPRGKRZSA-N -1 0 354.384 -0.102 20 0 FBADRM CCc1ncsc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424434195 484358640 /nfs/dbraw/zinc/35/86/40/484358640.db2.gz CZHJOCONQHYQIG-MRVPVSSYSA-N -1 0 361.401 -0.646 20 0 FBADRM CCc1ncsc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424434196 484358737 /nfs/dbraw/zinc/35/87/37/484358737.db2.gz CZHJOCONQHYQIG-QMMMGPOBSA-N -1 0 361.401 -0.646 20 0 FBADRM Cc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1F ZINC000424434241 484359050 /nfs/dbraw/zinc/35/90/50/484359050.db2.gz DIEBZASYYUQUFM-JTQLQIEISA-N -1 0 358.347 -0.217 20 0 FBADRM Cc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1F ZINC000424434243 484358366 /nfs/dbraw/zinc/35/83/66/484358366.db2.gz DIEBZASYYUQUFM-SNVBAGLBSA-N -1 0 358.347 -0.217 20 0 FBADRM COC(=O)Cn1ncc(NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])c1C ZINC000424434652 485190543 /nfs/dbraw/zinc/19/05/43/485190543.db2.gz IVTZDDXQOWFWGM-UHFFFAOYSA-N -1 0 354.363 -0.080 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000424434656 484410885 /nfs/dbraw/zinc/41/08/85/484410885.db2.gz IXJHNUFXKUACAU-JTQLQIEISA-N -1 0 368.390 0.398 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424434657 484410902 /nfs/dbraw/zinc/41/09/02/484410902.db2.gz IXJHNUFXKUACAU-SNVBAGLBSA-N -1 0 368.390 0.398 20 0 FBADRM CCCc1cc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n(C)n1 ZINC000424434724 484359702 /nfs/dbraw/zinc/35/97/02/484359702.db2.gz DJNIRZZHNIQKSU-JTQLQIEISA-N -1 0 372.403 -0.979 20 0 FBADRM CCCc1cc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n(C)n1 ZINC000424434731 484359560 /nfs/dbraw/zinc/35/95/60/484359560.db2.gz DJNIRZZHNIQKSU-SNVBAGLBSA-N -1 0 372.403 -0.979 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc3[nH]ccc3c2)CCS1(=O)=O ZINC000424434859 484359860 /nfs/dbraw/zinc/35/98/60/484359860.db2.gz DSURBCWBMWMAAB-GFCCVEGCSA-N -1 0 365.367 -0.183 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH]ccc3c2)CCS1(=O)=O ZINC000424434862 484359879 /nfs/dbraw/zinc/35/98/79/484359879.db2.gz DSURBCWBMWMAAB-LBPRGKRZSA-N -1 0 365.367 -0.183 20 0 FBADRM Cc1nc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)sc1C ZINC000424435322 484360048 /nfs/dbraw/zinc/36/00/48/484360048.db2.gz FPOUAUGJNIKEOH-MRVPVSSYSA-N -1 0 361.401 -0.591 20 0 FBADRM Cc1nc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)sc1C ZINC000424435323 484359981 /nfs/dbraw/zinc/35/99/81/484359981.db2.gz FPOUAUGJNIKEOH-QMMMGPOBSA-N -1 0 361.401 -0.591 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc3n[nH]cc3c2)CCS1(=O)=O ZINC000424435358 484360031 /nfs/dbraw/zinc/36/00/31/484360031.db2.gz GCZQEKNYUJZZOJ-LLVKDONJSA-N -1 0 366.355 -0.788 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc3n[nH]cc3c2)CCS1(=O)=O ZINC000424435359 484359773 /nfs/dbraw/zinc/35/97/73/484359773.db2.gz GCZQEKNYUJZZOJ-NSHDSACASA-N -1 0 366.355 -0.788 20 0 FBADRM CCOc1ncccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424435363 484359869 /nfs/dbraw/zinc/35/98/69/484359869.db2.gz GEPPOZKEGGJUCF-JTQLQIEISA-N -1 0 371.371 -0.871 20 0 FBADRM CCOc1ncccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424435364 484359785 /nfs/dbraw/zinc/35/97/85/484359785.db2.gz GEPPOZKEGGJUCF-SNVBAGLBSA-N -1 0 371.371 -0.871 20 0 FBADRM COc1cc(F)ccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424435386 484359759 /nfs/dbraw/zinc/35/97/59/484359759.db2.gz GIMFCQKMTAYOMT-LLVKDONJSA-N -1 0 374.346 -0.517 20 0 FBADRM COc1cc(F)ccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424435387 484359745 /nfs/dbraw/zinc/35/97/45/484359745.db2.gz GIMFCQKMTAYOMT-NSHDSACASA-N -1 0 374.346 -0.517 20 0 FBADRM Cc1cccc(F)c1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424435813 484360061 /nfs/dbraw/zinc/36/00/61/484360061.db2.gz GMKCYDITRPDCQW-JTQLQIEISA-N -1 0 358.347 -0.217 20 0 FBADRM Cc1cccc(F)c1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424435814 484359707 /nfs/dbraw/zinc/35/97/07/484359707.db2.gz GMKCYDITRPDCQW-SNVBAGLBSA-N -1 0 358.347 -0.217 20 0 FBADRM Cc1cc(C)cc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424435826 484359607 /nfs/dbraw/zinc/35/96/07/484359607.db2.gz GPSMYLKANYLJLR-GFCCVEGCSA-N -1 0 354.384 -0.048 20 0 FBADRM Cc1cc(C)cc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424435827 484359653 /nfs/dbraw/zinc/35/96/53/484359653.db2.gz GPSMYLKANYLJLR-LBPRGKRZSA-N -1 0 354.384 -0.048 20 0 FBADRM CCCCn1nccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424435858 484359735 /nfs/dbraw/zinc/35/97/35/484359735.db2.gz GVRIJZKBXKUXHL-JTQLQIEISA-N -1 0 372.403 -0.668 20 0 FBADRM CCCCn1nccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424435859 484360084 /nfs/dbraw/zinc/36/00/84/484360084.db2.gz GVRIJZKBXKUXHL-SNVBAGLBSA-N -1 0 372.403 -0.668 20 0 FBADRM COc1ccc(F)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424435883 484359969 /nfs/dbraw/zinc/35/99/69/484359969.db2.gz GYRGNXOOBBNJOG-LLVKDONJSA-N -1 0 374.346 -0.517 20 0 FBADRM COc1ccc(F)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424435885 484359649 /nfs/dbraw/zinc/35/96/49/484359649.db2.gz GYRGNXOOBBNJOG-NSHDSACASA-N -1 0 374.346 -0.517 20 0 FBADRM CCc1ccccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424436424 484360056 /nfs/dbraw/zinc/36/00/56/484360056.db2.gz HEZFGXICBZRZHZ-GFCCVEGCSA-N -1 0 354.384 -0.102 20 0 FBADRM CCc1ccccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424436426 484359918 /nfs/dbraw/zinc/35/99/18/484359918.db2.gz HEZFGXICBZRZHZ-LBPRGKRZSA-N -1 0 354.384 -0.102 20 0 FBADRM CCc1onc(C)c1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424436434 484359843 /nfs/dbraw/zinc/35/98/43/484359843.db2.gz HHCBMRTWAUPNGF-SECBINFHSA-N -1 0 359.360 -0.806 20 0 FBADRM CCc1onc(C)c1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424436436 484359959 /nfs/dbraw/zinc/35/99/59/484359959.db2.gz HHCBMRTWAUPNGF-VIFPVBQESA-N -1 0 359.360 -0.806 20 0 FBADRM Cc1cc(C)nc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424436453 484359540 /nfs/dbraw/zinc/35/95/40/484359540.db2.gz HITBFQSAEFVOPB-JTQLQIEISA-N -1 0 355.372 -0.653 20 0 FBADRM Cc1cc(C)nc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424436455 484359710 /nfs/dbraw/zinc/35/97/10/484359710.db2.gz HITBFQSAEFVOPB-SNVBAGLBSA-N -1 0 355.372 -0.653 20 0 FBADRM CN(C)c1ccccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424436532 484359833 /nfs/dbraw/zinc/35/98/33/484359833.db2.gz HPNUGXVRGHNRNL-GFCCVEGCSA-N -1 0 369.399 -0.599 20 0 FBADRM CN(C)c1ccccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424436534 484359720 /nfs/dbraw/zinc/35/97/20/484359720.db2.gz HPNUGXVRGHNRNL-LBPRGKRZSA-N -1 0 369.399 -0.599 20 0 FBADRM CC(C)c1nn(C)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424436541 484360079 /nfs/dbraw/zinc/36/00/79/484360079.db2.gz HPQPTBMZINJRSE-JTQLQIEISA-N -1 0 372.403 -0.808 20 0 FBADRM CC(C)c1nn(C)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424436542 484359551 /nfs/dbraw/zinc/35/95/51/484359551.db2.gz HPQPTBMZINJRSE-SNVBAGLBSA-N -1 0 372.403 -0.808 20 0 FBADRM CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1C ZINC000424436630 484168269 /nfs/dbraw/zinc/16/82/69/484168269.db2.gz LYPBQOYKNYPTBH-LLVKDONJSA-N -1 0 367.406 -0.261 20 0 FBADRM CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1C ZINC000424436631 484169712 /nfs/dbraw/zinc/16/97/12/484169712.db2.gz LYPBQOYKNYPTBH-NSHDSACASA-N -1 0 367.406 -0.261 20 0 FBADRM CCC(CC)(CNC(=O)N1CCN(CC(=O)NCCOC)CC1)C(=O)[O-] ZINC000424436903 485190157 /nfs/dbraw/zinc/19/01/57/485190157.db2.gz YAWAELAFJCJGRW-UHFFFAOYSA-N -1 0 372.466 -0.033 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cccc(F)c2F)CCS1(=O)=O ZINC000424436962 484360001 /nfs/dbraw/zinc/36/00/01/484360001.db2.gz HZPVFQLEVCIFNP-SECBINFHSA-N -1 0 362.310 -0.387 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cccc(F)c2F)CCS1(=O)=O ZINC000424436970 484359837 /nfs/dbraw/zinc/35/98/37/484359837.db2.gz HZPVFQLEVCIFNP-VIFPVBQESA-N -1 0 362.310 -0.387 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)C(=O)[O-] ZINC000424436983 485190262 /nfs/dbraw/zinc/19/02/62/485190262.db2.gz IAJNIHKJMCLZID-UHFFFAOYSA-N -1 0 367.406 -0.083 20 0 FBADRM COc1cc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)ccc1F ZINC000424436987 484359908 /nfs/dbraw/zinc/35/99/08/484359908.db2.gz IAOVLZHKPJSCSF-LLVKDONJSA-N -1 0 374.346 -0.517 20 0 FBADRM COc1cc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)ccc1F ZINC000424436989 484359629 /nfs/dbraw/zinc/35/96/29/484359629.db2.gz IAOVLZHKPJSCSF-NSHDSACASA-N -1 0 374.346 -0.517 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cccc(C3CC3)n2)CCS1(=O)=O ZINC000424437024 484359621 /nfs/dbraw/zinc/35/96/21/484359621.db2.gz IFQGKUVHIKVYDO-LLVKDONJSA-N -1 0 367.383 -0.392 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cccc(C3CC3)n2)CCS1(=O)=O ZINC000424437025 484359593 /nfs/dbraw/zinc/35/95/93/484359593.db2.gz IFQGKUVHIKVYDO-NSHDSACASA-N -1 0 367.383 -0.392 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c(C)n1 ZINC000424437425 484359805 /nfs/dbraw/zinc/35/98/05/484359805.db2.gz IXGLCKVRZFZHPC-JTQLQIEISA-N -1 0 371.371 -0.953 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)C(=O)[O-] ZINC000424437487 484186866 /nfs/dbraw/zinc/18/68/66/484186866.db2.gz OFJZKONPFSHIQM-LLVKDONJSA-N -1 0 367.406 -0.227 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)C(=O)[O-] ZINC000424437488 484183396 /nfs/dbraw/zinc/18/33/96/484183396.db2.gz OFJZKONPFSHIQM-NSHDSACASA-N -1 0 367.406 -0.227 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c(C)n1 ZINC000424437521 484359614 /nfs/dbraw/zinc/35/96/14/484359614.db2.gz IXGLCKVRZFZHPC-SNVBAGLBSA-N -1 0 371.371 -0.953 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2scnc2C2CC2)CCS1(=O)=O ZINC000424437662 484359822 /nfs/dbraw/zinc/35/98/22/484359822.db2.gz JHUYWBYANCGSSF-MRVPVSSYSA-N -1 0 373.412 -0.331 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2scnc2C2CC2)CCS1(=O)=O ZINC000424437664 484359840 /nfs/dbraw/zinc/35/98/40/484359840.db2.gz JHUYWBYANCGSSF-QMMMGPOBSA-N -1 0 373.412 -0.331 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cccc3c2CCO3)CCS1(=O)=O ZINC000424438005 484359846 /nfs/dbraw/zinc/35/98/46/484359846.db2.gz KFJLXFFVUZQUHP-GFCCVEGCSA-N -1 0 368.367 -0.730 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2CCO3)CCS1(=O)=O ZINC000424438006 484359791 /nfs/dbraw/zinc/35/97/91/484359791.db2.gz KFJLXFFVUZQUHP-LBPRGKRZSA-N -1 0 368.367 -0.730 20 0 FBADRM Cc1nc(C)c(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)s1 ZINC000424438316 484360041 /nfs/dbraw/zinc/36/00/41/484360041.db2.gz KNYOXFHQRSAOTD-MRVPVSSYSA-N -1 0 361.401 -0.591 20 0 FBADRM Cc1nc(C)c(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)s1 ZINC000424438317 484360072 /nfs/dbraw/zinc/36/00/72/484360072.db2.gz KNYOXFHQRSAOTD-QMMMGPOBSA-N -1 0 361.401 -0.591 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2c(F)cccc2F)CCS1(=O)=O ZINC000424438323 484359883 /nfs/dbraw/zinc/35/98/83/484359883.db2.gz KPVVTXDOAIZIBN-SECBINFHSA-N -1 0 362.310 -0.387 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2c(F)cccc2F)CCS1(=O)=O ZINC000424438324 484359915 /nfs/dbraw/zinc/35/99/15/484359915.db2.gz KPVVTXDOAIZIBN-VIFPVBQESA-N -1 0 362.310 -0.387 20 0 FBADRM COc1ccccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424438360 484359890 /nfs/dbraw/zinc/35/98/90/484359890.db2.gz KXXYAEJNJMSFRQ-LLVKDONJSA-N -1 0 356.356 -0.656 20 0 FBADRM COc1ccccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424438361 484359600 /nfs/dbraw/zinc/35/96/00/484359600.db2.gz KXXYAEJNJMSFRQ-NSHDSACASA-N -1 0 356.356 -0.656 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCO3)CCS1(=O)=O ZINC000424438667 484359964 /nfs/dbraw/zinc/35/99/64/484359964.db2.gz LWANZPITUVUKOM-GFCCVEGCSA-N -1 0 368.367 -0.730 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCO3)CCS1(=O)=O ZINC000424438668 484359814 /nfs/dbraw/zinc/35/98/14/484359814.db2.gz LWANZPITUVUKOM-LBPRGKRZSA-N -1 0 368.367 -0.730 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1F ZINC000424438705 484359856 /nfs/dbraw/zinc/35/98/56/484359856.db2.gz MEQKXBCILLFLPR-LLVKDONJSA-N -1 0 358.347 -0.217 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1F ZINC000424438706 484360007 /nfs/dbraw/zinc/36/00/07/484360007.db2.gz MEQKXBCILLFLPR-NSHDSACASA-N -1 0 358.347 -0.217 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)C(=O)[O-] ZINC000424438746 485190389 /nfs/dbraw/zinc/19/03/89/485190389.db2.gz RJTZMRMOEMWYKT-LLVKDONJSA-N -1 0 367.406 -0.227 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)C(=O)[O-] ZINC000424438747 485190579 /nfs/dbraw/zinc/19/05/79/485190579.db2.gz RJTZMRMOEMWYKT-NSHDSACASA-N -1 0 367.406 -0.227 20 0 FBADRM COc1ncc(NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1C(N)=O ZINC000424438800 485190181 /nfs/dbraw/zinc/19/01/81/485190181.db2.gz RVCKGKFLVWKPCO-SECBINFHSA-N -1 0 366.374 -0.009 20 0 FBADRM COc1ncc(NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1C(N)=O ZINC000424438801 485190701 /nfs/dbraw/zinc/19/07/01/485190701.db2.gz RVCKGKFLVWKPCO-VIFPVBQESA-N -1 0 366.374 -0.009 20 0 FBADRM CC(C)Cn1nccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424438912 484360019 /nfs/dbraw/zinc/36/00/19/484360019.db2.gz MGAVIATUPJNWBX-JTQLQIEISA-N -1 0 372.403 -0.812 20 0 FBADRM CC(C)Cn1nccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424438913 484359936 /nfs/dbraw/zinc/35/99/36/484359936.db2.gz MGAVIATUPJNWBX-SNVBAGLBSA-N -1 0 372.403 -0.812 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(F)c2)CCS1(=O)=O ZINC000424438950 484359690 /nfs/dbraw/zinc/35/96/90/484359690.db2.gz MNFNLBGPQTZMNC-JTQLQIEISA-N -1 0 362.310 -0.387 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(F)c2)CCS1(=O)=O ZINC000424438951 484359895 /nfs/dbraw/zinc/35/98/95/484359895.db2.gz MNFNLBGPQTZMNC-SNVBAGLBSA-N -1 0 362.310 -0.387 20 0 FBADRM CC(C)Cn1cc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cn1 ZINC000424438960 484359925 /nfs/dbraw/zinc/35/99/25/484359925.db2.gz MPPPMFNPERBXPU-LLVKDONJSA-N -1 0 372.403 -0.812 20 0 FBADRM CC(C)Cn1cc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cn1 ZINC000424438961 484359900 /nfs/dbraw/zinc/35/99/00/484359900.db2.gz MPPPMFNPERBXPU-NSHDSACASA-N -1 0 372.403 -0.812 20 0 FBADRM CC(C)(C)n1cc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cn1 ZINC000424438969 484359673 /nfs/dbraw/zinc/35/96/73/484359673.db2.gz MRPXOMWHRGCNSY-JTQLQIEISA-N -1 0 372.403 -0.713 20 0 FBADRM CC(C)(C)n1cc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cn1 ZINC000424438970 484359851 /nfs/dbraw/zinc/35/98/51/484359851.db2.gz MRPXOMWHRGCNSY-SNVBAGLBSA-N -1 0 372.403 -0.713 20 0 FBADRM CCOc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424438984 484359828 /nfs/dbraw/zinc/35/98/28/484359828.db2.gz MSSWVFZGCUCLEW-GFCCVEGCSA-N -1 0 370.383 -0.266 20 0 FBADRM CCOc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424438985 484360037 /nfs/dbraw/zinc/36/00/37/484360037.db2.gz MSSWVFZGCUCLEW-LBPRGKRZSA-N -1 0 370.383 -0.266 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000424439021 484359582 /nfs/dbraw/zinc/35/95/82/484359582.db2.gz MVSJMDVLHMXDRC-GFCCVEGCSA-N -1 0 370.383 -0.348 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c(C)c1 ZINC000424439022 484360067 /nfs/dbraw/zinc/36/00/67/484360067.db2.gz MVSJMDVLHMXDRC-LBPRGKRZSA-N -1 0 370.383 -0.348 20 0 FBADRM CC(C)(C)n1nccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424439233 484359525 /nfs/dbraw/zinc/35/95/25/484359525.db2.gz NJMNVNQFZJABMT-SECBINFHSA-N -1 0 372.403 -0.713 20 0 FBADRM CC(C)(C)n1nccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424439235 484360029 /nfs/dbraw/zinc/36/00/29/484360029.db2.gz NJMNVNQFZJABMT-VIFPVBQESA-N -1 0 372.403 -0.713 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc3c(n2)CCC3)CCS1(=O)=O ZINC000424439325 484359511 /nfs/dbraw/zinc/35/95/11/484359511.db2.gz NRHSZDLCYXXNAE-LLVKDONJSA-N -1 0 367.383 -0.781 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(n2)CCC3)CCS1(=O)=O ZINC000424439328 484359685 /nfs/dbraw/zinc/35/96/85/484359685.db2.gz NRHSZDLCYXXNAE-NSHDSACASA-N -1 0 367.383 -0.781 20 0 FBADRM CCc1cnc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)s1 ZINC000424439401 484359779 /nfs/dbraw/zinc/35/97/79/484359779.db2.gz NWYNOZBPWHXRNW-MRVPVSSYSA-N -1 0 361.401 -0.646 20 0 FBADRM CCc1cnc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)s1 ZINC000424439403 484359661 /nfs/dbraw/zinc/35/96/61/484359661.db2.gz NWYNOZBPWHXRNW-QMMMGPOBSA-N -1 0 361.401 -0.646 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)OCO3)CCS1(=O)=O ZINC000424439617 484359798 /nfs/dbraw/zinc/35/97/98/484359798.db2.gz ODYVOHAWJHANKR-LLVKDONJSA-N -1 0 370.339 -0.936 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)OCO3)CCS1(=O)=O ZINC000424439618 484359729 /nfs/dbraw/zinc/35/97/29/484359729.db2.gz ODYVOHAWJHANKR-NSHDSACASA-N -1 0 370.339 -0.936 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000424439635 484410570 /nfs/dbraw/zinc/41/05/70/484410570.db2.gz OFYFXCNLRAKKLF-UHFFFAOYSA-N -1 0 368.390 0.543 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2F)CCS1(=O)=O ZINC000424439907 484359873 /nfs/dbraw/zinc/35/98/73/484359873.db2.gz PDMMUUWEQLMRQM-JTQLQIEISA-N -1 0 362.310 -0.387 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2F)CCS1(=O)=O ZINC000424439909 484359564 /nfs/dbraw/zinc/35/95/64/484359564.db2.gz PDMMUUWEQLMRQM-SNVBAGLBSA-N -1 0 362.310 -0.387 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC3)CCS1(=O)=O ZINC000424439915 484359668 /nfs/dbraw/zinc/35/96/68/484359668.db2.gz PDYRCFNYRWTNAJ-CYBMUJFWSA-N -1 0 366.395 -0.176 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC3)CCS1(=O)=O ZINC000424439919 484359996 /nfs/dbraw/zinc/35/99/96/484359996.db2.gz PDYRCFNYRWTNAJ-ZDUSSCGKSA-N -1 0 366.395 -0.176 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cccc3[nH]ccc32)CCS1(=O)=O ZINC000424439962 484360024 /nfs/dbraw/zinc/36/00/24/484360024.db2.gz PJTICFRRRHKXRG-GFCCVEGCSA-N -1 0 365.367 -0.183 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cccc3[nH]ccc32)CCS1(=O)=O ZINC000424439963 484359532 /nfs/dbraw/zinc/35/95/32/484359532.db2.gz PJTICFRRRHKXRG-LBPRGKRZSA-N -1 0 365.367 -0.183 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2)CCS1(=O)=O ZINC000424440003 484359765 /nfs/dbraw/zinc/35/97/65/484359765.db2.gz PWUPQHGQMBPBBA-JTQLQIEISA-N -1 0 362.310 -0.387 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2)CCS1(=O)=O ZINC000424440004 484359905 /nfs/dbraw/zinc/35/99/05/484359905.db2.gz PWUPQHGQMBPBBA-SNVBAGLBSA-N -1 0 362.310 -0.387 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2F)CCS1(=O)=O ZINC000424440287 484359752 /nfs/dbraw/zinc/35/97/52/484359752.db2.gz QIVCNIKAGLKOSN-JTQLQIEISA-N -1 0 362.310 -0.387 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2F)CCS1(=O)=O ZINC000424440289 484359716 /nfs/dbraw/zinc/35/97/16/484359716.db2.gz QIVCNIKAGLKOSN-SNVBAGLBSA-N -1 0 362.310 -0.387 20 0 FBADRM CC(=O)c1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424440767 484359976 /nfs/dbraw/zinc/35/99/76/484359976.db2.gz RNFQUQXPRXIONZ-GFCCVEGCSA-N -1 0 368.367 -0.462 20 0 FBADRM CC(=O)c1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424440769 484359693 /nfs/dbraw/zinc/35/96/93/484359693.db2.gz RNFQUQXPRXIONZ-LBPRGKRZSA-N -1 0 368.367 -0.462 20 0 FBADRM COc1ccc(C)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424441080 484359810 /nfs/dbraw/zinc/35/98/10/484359810.db2.gz SNKALSUCDYUWCU-GFCCVEGCSA-N -1 0 370.383 -0.348 20 0 FBADRM COc1ccc(C)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424441081 484359740 /nfs/dbraw/zinc/35/97/40/484359740.db2.gz SNKALSUCDYUWCU-LBPRGKRZSA-N -1 0 370.383 -0.348 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000424441092 484359574 /nfs/dbraw/zinc/35/95/74/484359574.db2.gz SQBSDAJLHVOZIS-GFCCVEGCSA-N -1 0 354.384 -0.048 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c(C)c1 ZINC000424441093 484359876 /nfs/dbraw/zinc/35/98/76/484359876.db2.gz SQBSDAJLHVOZIS-LBPRGKRZSA-N -1 0 354.384 -0.048 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2nc(C3CC3)cs2)CCS1(=O)=O ZINC000424441095 484359724 /nfs/dbraw/zinc/35/97/24/484359724.db2.gz SQSAAOJFMGMJIE-SECBINFHSA-N -1 0 373.412 -0.331 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2nc(C3CC3)cs2)CCS1(=O)=O ZINC000424441096 484359988 /nfs/dbraw/zinc/35/99/88/484359988.db2.gz SQSAAOJFMGMJIE-VIFPVBQESA-N -1 0 373.412 -0.331 20 0 FBADRM COc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424441534 484359953 /nfs/dbraw/zinc/35/99/53/484359953.db2.gz TXALWOKUXGAUHK-LLVKDONJSA-N -1 0 356.356 -0.656 20 0 FBADRM COc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424441538 484359545 /nfs/dbraw/zinc/35/95/45/484359545.db2.gz TXALWOKUXGAUHK-NSHDSACASA-N -1 0 356.356 -0.656 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1)C(=O)[O-] ZINC000424441566 484275773 /nfs/dbraw/zinc/27/57/73/484275773.db2.gz UACRTDAQEFBJFX-UHFFFAOYSA-N -1 0 367.406 -0.117 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)C(=O)[O-] ZINC000424441615 484276214 /nfs/dbraw/zinc/27/62/14/484276214.db2.gz UEVNWNDWQSFDRG-UHFFFAOYSA-N -1 0 367.406 -0.083 20 0 FBADRM Cc1c(F)cccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424441671 484359946 /nfs/dbraw/zinc/35/99/46/484359946.db2.gz UHJJDYLVQQKEDU-LLVKDONJSA-N -1 0 358.347 -0.217 20 0 FBADRM Cc1c(F)cccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424441676 484359929 /nfs/dbraw/zinc/35/99/29/484359929.db2.gz UHJJDYLVQQKEDU-NSHDSACASA-N -1 0 358.347 -0.217 20 0 FBADRM CCc1csc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n1 ZINC000424441739 484359991 /nfs/dbraw/zinc/35/99/91/484359991.db2.gz UMYQJBZQNLPGJQ-MRVPVSSYSA-N -1 0 361.401 -0.646 20 0 FBADRM CCc1csc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n1 ZINC000424441741 484360013 /nfs/dbraw/zinc/36/00/13/484360013.db2.gz UMYQJBZQNLPGJQ-QMMMGPOBSA-N -1 0 361.401 -0.646 20 0 FBADRM COc1ccc(F)c(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424442049 484359865 /nfs/dbraw/zinc/35/98/65/484359865.db2.gz UQJSCDSXZPNVHW-LLVKDONJSA-N -1 0 374.346 -0.517 20 0 FBADRM COc1ccc(F)c(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424442050 484359679 /nfs/dbraw/zinc/35/96/79/484359679.db2.gz UQJSCDSXZPNVHW-NSHDSACASA-N -1 0 374.346 -0.517 20 0 FBADRM Cc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1C ZINC000424442051 484359634 /nfs/dbraw/zinc/35/96/34/484359634.db2.gz UQOLWOATTUJVRK-GFCCVEGCSA-N -1 0 354.384 -0.048 20 0 FBADRM Cc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1C ZINC000424442052 484359642 /nfs/dbraw/zinc/35/96/42/484359642.db2.gz UQOLWOATTUJVRK-LBPRGKRZSA-N -1 0 354.384 -0.048 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1F ZINC000424442215 484361083 /nfs/dbraw/zinc/36/10/83/484361083.db2.gz VGRHYYWJYVRBKA-LLVKDONJSA-N -1 0 374.346 -0.517 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1F ZINC000424442216 484360979 /nfs/dbraw/zinc/36/09/79/484360979.db2.gz VGRHYYWJYVRBKA-NSHDSACASA-N -1 0 374.346 -0.517 20 0 FBADRM CCOc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1 ZINC000424442463 484361149 /nfs/dbraw/zinc/36/11/49/484361149.db2.gz VNAKAEUSSZETOK-GFCCVEGCSA-N -1 0 370.383 -0.266 20 0 FBADRM CCOc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1 ZINC000424442465 484361051 /nfs/dbraw/zinc/36/10/51/484361051.db2.gz VNAKAEUSSZETOK-LBPRGKRZSA-N -1 0 370.383 -0.266 20 0 FBADRM Cc1cc(F)cc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424442582 484360566 /nfs/dbraw/zinc/36/05/66/484360566.db2.gz VWZHRPPOYMQHQU-LLVKDONJSA-N -1 0 358.347 -0.217 20 0 FBADRM Cc1cc(F)cc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424442585 484361133 /nfs/dbraw/zinc/36/11/33/484361133.db2.gz VWZHRPPOYMQHQU-NSHDSACASA-N -1 0 358.347 -0.217 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2)CCS1(=O)=O ZINC000424442593 484360984 /nfs/dbraw/zinc/36/09/84/484360984.db2.gz VXZGPFCEXOHOHQ-JTQLQIEISA-N -1 0 360.775 -0.011 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2)CCS1(=O)=O ZINC000424442595 484360546 /nfs/dbraw/zinc/36/05/46/484360546.db2.gz VXZGPFCEXOHOHQ-SNVBAGLBSA-N -1 0 360.775 -0.011 20 0 FBADRM Cc1cccc(C)c1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424442611 484360661 /nfs/dbraw/zinc/36/06/61/484360661.db2.gz WAPZXCCWZDGPIZ-LLVKDONJSA-N -1 0 354.384 -0.048 20 0 FBADRM Cc1cccc(C)c1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424442612 484360423 /nfs/dbraw/zinc/36/04/23/484360423.db2.gz WAPZXCCWZDGPIZ-NSHDSACASA-N -1 0 354.384 -0.048 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cn2)CCS1(=O)=O ZINC000424442836 484360858 /nfs/dbraw/zinc/36/08/58/484360858.db2.gz WERDFZZSIKNEAZ-MRVPVSSYSA-N -1 0 361.763 -0.616 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cn2)CCS1(=O)=O ZINC000424442837 484360599 /nfs/dbraw/zinc/36/05/99/484360599.db2.gz WERDFZZSIKNEAZ-QMMMGPOBSA-N -1 0 361.763 -0.616 20 0 FBADRM CCc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1 ZINC000424442842 484361062 /nfs/dbraw/zinc/36/10/62/484361062.db2.gz WGDQBVLFLYSDLG-GFCCVEGCSA-N -1 0 354.384 -0.102 20 0 FBADRM CCc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1 ZINC000424442843 484360583 /nfs/dbraw/zinc/36/05/83/484360583.db2.gz WGDQBVLFLYSDLG-LBPRGKRZSA-N -1 0 354.384 -0.102 20 0 FBADRM CCc1noc(C)c1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424442875 484361088 /nfs/dbraw/zinc/36/10/88/484361088.db2.gz WLDPOCBCUSKVDD-SECBINFHSA-N -1 0 359.360 -0.806 20 0 FBADRM CCc1noc(C)c1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424442876 484360972 /nfs/dbraw/zinc/36/09/72/484360972.db2.gz WLDPOCBCUSKVDD-VIFPVBQESA-N -1 0 359.360 -0.806 20 0 FBADRM CC(C)OC(=O)CC[C@@H](C)NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424443141 485190107 /nfs/dbraw/zinc/19/01/07/485190107.db2.gz AMQCDDLFCOOPLS-GHMZBOCLSA-N -1 0 364.420 0.000 20 0 FBADRM CC(C)OC(=O)CC[C@@H](C)NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424443142 485190248 /nfs/dbraw/zinc/19/02/48/485190248.db2.gz AMQCDDLFCOOPLS-MNOVXSKESA-N -1 0 364.420 0.000 20 0 FBADRM CC(C)OC(=O)CC[C@H](C)NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424443143 485190395 /nfs/dbraw/zinc/19/03/95/485190395.db2.gz AMQCDDLFCOOPLS-QWRGUYRKSA-N -1 0 364.420 0.000 20 0 FBADRM CC(C)OC(=O)CC[C@H](C)NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424443144 485190527 /nfs/dbraw/zinc/19/05/27/485190527.db2.gz AMQCDDLFCOOPLS-WDEREUQCSA-N -1 0 364.420 0.000 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c(F)c1 ZINC000424443318 484360772 /nfs/dbraw/zinc/36/07/72/484360772.db2.gz XFSROBRNNZWXHZ-LLVKDONJSA-N -1 0 358.347 -0.217 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c(F)c1 ZINC000424443319 484360630 /nfs/dbraw/zinc/36/06/30/484360630.db2.gz XFSROBRNNZWXHZ-NSHDSACASA-N -1 0 358.347 -0.217 20 0 FBADRM Cc1ccc(F)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424443332 484361002 /nfs/dbraw/zinc/36/10/02/484361002.db2.gz XJGZYJDALOFIML-LLVKDONJSA-N -1 0 358.347 -0.217 20 0 FBADRM Cc1ccc(F)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424443333 484360822 /nfs/dbraw/zinc/36/08/22/484360822.db2.gz XJGZYJDALOFIML-NSHDSACASA-N -1 0 358.347 -0.217 20 0 FBADRM COc1ncc(C)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424443365 484360536 /nfs/dbraw/zinc/36/05/36/484360536.db2.gz XOQSMTBQEWVVPD-JTQLQIEISA-N -1 0 371.371 -0.953 20 0 FBADRM COc1ncc(C)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424443366 484361101 /nfs/dbraw/zinc/36/11/01/484361101.db2.gz XOQSMTBQEWVVPD-SNVBAGLBSA-N -1 0 371.371 -0.953 20 0 FBADRM CCn1nc(C)c(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1C ZINC000424443372 484360452 /nfs/dbraw/zinc/36/04/52/484360452.db2.gz XPVNLVRPMNCLEQ-JTQLQIEISA-N -1 0 372.403 -0.831 20 0 FBADRM CCn1nc(C)c(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1C ZINC000424443673 484360764 /nfs/dbraw/zinc/36/07/64/484360764.db2.gz XPVNLVRPMNCLEQ-SNVBAGLBSA-N -1 0 372.403 -0.831 20 0 FBADRM Cc1cc(F)ccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424443676 484360617 /nfs/dbraw/zinc/36/06/17/484360617.db2.gz XQVOEISKKMYRBU-LLVKDONJSA-N -1 0 358.347 -0.217 20 0 FBADRM Cc1cc(F)ccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424443677 484361016 /nfs/dbraw/zinc/36/10/16/484361016.db2.gz XQVOEISKKMYRBU-NSHDSACASA-N -1 0 358.347 -0.217 20 0 FBADRM CC(C)(CCNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000424443788 485190442 /nfs/dbraw/zinc/19/04/42/485190442.db2.gz LFCICPNTTYAACV-UHFFFAOYSA-N -1 0 357.388 -0.110 20 0 FBADRM CCc1nn(C)c(CC)c1CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424443827 484361128 /nfs/dbraw/zinc/36/11/28/484361128.db2.gz BRQJVXVAYLFPIC-CYBMUJFWSA-N -1 0 372.447 -0.062 20 0 FBADRM CCc1nn(C)c(CC)c1CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424443829 484361027 /nfs/dbraw/zinc/36/10/27/484361027.db2.gz BRQJVXVAYLFPIC-ZDUSSCGKSA-N -1 0 372.447 -0.062 20 0 FBADRM CCO[C@@H]1COCC[C@@H]1NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424443916 484360436 /nfs/dbraw/zinc/36/04/36/484360436.db2.gz BYHYZFLAJDMVII-AXFHLTTASA-N -1 0 350.393 -0.926 20 0 FBADRM CCO[C@@H]1COCC[C@H]1NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424443919 484361105 /nfs/dbraw/zinc/36/11/05/484361105.db2.gz BYHYZFLAJDMVII-GMTAPVOTSA-N -1 0 350.393 -0.926 20 0 FBADRM CCO[C@@H]1COCC[C@@H]1NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424443922 484360929 /nfs/dbraw/zinc/36/09/29/484360929.db2.gz BYHYZFLAJDMVII-HBNTYKKESA-N -1 0 350.393 -0.926 20 0 FBADRM CCO[C@@H]1COCC[C@H]1NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424443925 484361056 /nfs/dbraw/zinc/36/10/56/484361056.db2.gz BYHYZFLAJDMVII-MXWKQRLJSA-N -1 0 350.393 -0.926 20 0 FBADRM COc1cccc(C)c1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424443944 484360477 /nfs/dbraw/zinc/36/04/77/484360477.db2.gz YPSXXSKUZDPYRN-LLVKDONJSA-N -1 0 370.383 -0.348 20 0 FBADRM COc1cccc(C)c1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424443947 484360742 /nfs/dbraw/zinc/36/07/42/484360742.db2.gz YPSXXSKUZDPYRN-NSHDSACASA-N -1 0 370.383 -0.348 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1C ZINC000424444232 484361067 /nfs/dbraw/zinc/36/10/67/484361067.db2.gz ZKJOMQWMQLVJKW-GFCCVEGCSA-N -1 0 354.384 -0.048 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1C ZINC000424444233 484360722 /nfs/dbraw/zinc/36/07/22/484360722.db2.gz ZKJOMQWMQLVJKW-LBPRGKRZSA-N -1 0 354.384 -0.048 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccccc2Cl)CCS1(=O)=O ZINC000424444246 484360786 /nfs/dbraw/zinc/36/07/86/484360786.db2.gz ZLJPEZRJFISCFI-JTQLQIEISA-N -1 0 360.775 -0.011 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccccc2Cl)CCS1(=O)=O ZINC000424444248 484360737 /nfs/dbraw/zinc/36/07/37/484360737.db2.gz ZLJPEZRJFISCFI-SNVBAGLBSA-N -1 0 360.775 -0.011 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCc2cn3c(n2)SCC3)CCS1(=O)=O ZINC000424445528 484360827 /nfs/dbraw/zinc/36/08/27/484360827.db2.gz DRAZNQFOZIHMAQ-JTQLQIEISA-N -1 0 374.444 -0.576 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCc2cn3c(n2)SCC3)CCS1(=O)=O ZINC000424445529 484360409 /nfs/dbraw/zinc/36/04/09/484360409.db2.gz DRAZNQFOZIHMAQ-SNVBAGLBSA-N -1 0 374.444 -0.576 20 0 FBADRM CC(C)(CCNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000424445751 485190127 /nfs/dbraw/zinc/19/01/27/485190127.db2.gz PDUSNTBTHABPAE-UHFFFAOYSA-N -1 0 357.388 -0.110 20 0 FBADRM COc1ncc(NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])cc1C(N)=O ZINC000424445787 485190521 /nfs/dbraw/zinc/19/05/21/485190521.db2.gz PMZUNQFNISAPOX-UHFFFAOYSA-N -1 0 352.347 -0.255 20 0 FBADRM CCOC(=O)[C@@H]1CC[C@H](NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424446439 485191036 /nfs/dbraw/zinc/19/10/36/485191036.db2.gz GOXMALXJHBPKDU-OUAUKWLOSA-N -1 0 362.404 -0.389 20 0 FBADRM CCOC(=O)[C@@H]1CC[C@H](NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424446440 485191475 /nfs/dbraw/zinc/19/14/75/485191475.db2.gz GOXMALXJHBPKDU-VWYCJHECSA-N -1 0 362.404 -0.389 20 0 FBADRM CCOC(=O)CC[C@@H](C)NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424447497 485191267 /nfs/dbraw/zinc/19/12/67/485191267.db2.gz IJBQFIUOPYTRRB-NXEZZACHSA-N -1 0 350.393 -0.389 20 0 FBADRM CCOC(=O)CC[C@H](C)NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424447498 485191650 /nfs/dbraw/zinc/19/16/50/485191650.db2.gz IJBQFIUOPYTRRB-UWVGGRQHSA-N -1 0 350.393 -0.389 20 0 FBADRM CCOC(=O)CC[C@H](C)NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424447500 485191434 /nfs/dbraw/zinc/19/14/34/485191434.db2.gz IJBQFIUOPYTRRB-VHSXEESVSA-N -1 0 350.393 -0.389 20 0 FBADRM CCOC(=O)CC[C@@H](C)NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424447503 485191102 /nfs/dbraw/zinc/19/11/02/485191102.db2.gz IJBQFIUOPYTRRB-ZJUUUORDSA-N -1 0 350.393 -0.389 20 0 FBADRM CCO[C@@H]1C[C@H](NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)[C@H]1OC ZINC000424447866 484360936 /nfs/dbraw/zinc/36/09/36/484360936.db2.gz JBIKSCRIBMIKFG-LNFKQOIKSA-N -1 0 350.393 -0.928 20 0 FBADRM CCO[C@@H]1C[C@H](NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)[C@@H]1OC ZINC000424447867 484360851 /nfs/dbraw/zinc/36/08/51/484360851.db2.gz JBIKSCRIBMIKFG-VLEAKVRGSA-N -1 0 350.393 -0.928 20 0 FBADRM CCO[C@@H]1C[C@H](NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)[C@@H]1OC ZINC000424447868 484360842 /nfs/dbraw/zinc/36/08/42/484360842.db2.gz JBIKSCRIBMIKFG-ZDCRXTMVSA-N -1 0 350.393 -0.928 20 0 FBADRM CCO[C@@H]1C[C@H](NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)[C@H]1OC ZINC000424447869 484361032 /nfs/dbraw/zinc/36/10/32/484361032.db2.gz JBIKSCRIBMIKFG-ZRUFSTJUSA-N -1 0 350.393 -0.928 20 0 FBADRM CC(C)C[C@H](CNC(=O)NCCNS(=O)(=O)NC(C)C)C(=O)[O-] ZINC000424448355 485191391 /nfs/dbraw/zinc/19/13/91/485191391.db2.gz JNXWPCJBBYCPMO-LLVKDONJSA-N -1 0 352.457 -0.135 20 0 FBADRM CC(C)C[C@@H](CNC(=O)NCCNS(=O)(=O)NC(C)C)C(=O)[O-] ZINC000424448356 485191007 /nfs/dbraw/zinc/19/10/07/485191007.db2.gz JNXWPCJBBYCPMO-NSHDSACASA-N -1 0 352.457 -0.135 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCc2c[nH]c3ncccc23)CCS1(=O)=O ZINC000424449393 484360799 /nfs/dbraw/zinc/36/07/99/484360799.db2.gz LDLGVWKZJLSSRK-GFCCVEGCSA-N -1 0 366.399 -0.001 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCc2c[nH]c3ncccc23)CCS1(=O)=O ZINC000424449394 484361152 /nfs/dbraw/zinc/36/11/52/484361152.db2.gz LDLGVWKZJLSSRK-LBPRGKRZSA-N -1 0 366.399 -0.001 20 0 FBADRM CCNC(=O)C1(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCC1 ZINC000424449598 484360950 /nfs/dbraw/zinc/36/09/50/484360950.db2.gz LUFQKQSWTNKSFX-JTQLQIEISA-N -1 0 361.420 -0.814 20 0 FBADRM CCNC(=O)C1(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCC1 ZINC000424449599 484360685 /nfs/dbraw/zinc/36/06/85/484360685.db2.gz LUFQKQSWTNKSFX-SNVBAGLBSA-N -1 0 361.420 -0.814 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCc2cnc(C3CC3)nc2)CCS1(=O)=O ZINC000424451142 484360864 /nfs/dbraw/zinc/36/08/64/484360864.db2.gz OGOQNPGOYAYGOU-GFCCVEGCSA-N -1 0 368.415 -0.210 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCc2cnc(C3CC3)nc2)CCS1(=O)=O ZINC000424451143 484360756 /nfs/dbraw/zinc/36/07/56/484360756.db2.gz OGOQNPGOYAYGOU-LBPRGKRZSA-N -1 0 368.415 -0.210 20 0 FBADRM Cc1nn(C)c(C)c1CCCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424451272 484361111 /nfs/dbraw/zinc/36/11/11/484361111.db2.gz OQVCBXBPTACYCY-CYBMUJFWSA-N -1 0 372.447 -0.137 20 0 FBADRM Cc1nn(C)c(C)c1CCCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424451273 484361042 /nfs/dbraw/zinc/36/10/42/484361042.db2.gz OQVCBXBPTACYCY-ZDUSSCGKSA-N -1 0 372.447 -0.137 20 0 FBADRM Cc1cn2c(n1)[C@@H](CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)CCC2 ZINC000424451926 484361115 /nfs/dbraw/zinc/36/11/15/484361115.db2.gz OYQCLYLBDDVZCB-NEPJUHHUSA-N -1 0 370.431 -0.038 20 0 FBADRM Cc1cn2c(n1)[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)CCC2 ZINC000424451937 484360920 /nfs/dbraw/zinc/36/09/20/484360920.db2.gz OYQCLYLBDDVZCB-NWDGAFQWSA-N -1 0 370.431 -0.038 20 0 FBADRM Cc1cn2c(n1)[C@H](CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)CCC2 ZINC000424451941 484360961 /nfs/dbraw/zinc/36/09/61/484360961.db2.gz OYQCLYLBDDVZCB-RYUDHWBXSA-N -1 0 370.431 -0.038 20 0 FBADRM Cc1cn2c(n1)[C@@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)CCC2 ZINC000424451946 484360515 /nfs/dbraw/zinc/36/05/15/484360515.db2.gz OYQCLYLBDDVZCB-VXGBXAGGSA-N -1 0 370.431 -0.038 20 0 FBADRM CN(C)c1cccc(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n1 ZINC000424451972 484360887 /nfs/dbraw/zinc/36/08/87/484360887.db2.gz PBEOHPAAWHAEKL-LLVKDONJSA-N -1 0 356.404 -0.459 20 0 FBADRM CN(C)c1cccc(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n1 ZINC000424451975 484360638 /nfs/dbraw/zinc/36/06/38/484360638.db2.gz PBEOHPAAWHAEKL-NSHDSACASA-N -1 0 356.404 -0.459 20 0 FBADRM COC[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)[C@H]1CCCO1 ZINC000424452672 484361139 /nfs/dbraw/zinc/36/11/39/484361139.db2.gz QGWHPMRAJYQCBT-AXFHLTTASA-N -1 0 350.393 -0.926 20 0 FBADRM COC[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)[C@@H]1CCCO1 ZINC000424452674 484361021 /nfs/dbraw/zinc/36/10/21/484361021.db2.gz QGWHPMRAJYQCBT-DCAQKATOSA-N -1 0 350.393 -0.926 20 0 FBADRM COC[C@H](NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)[C@@H]1CCCO1 ZINC000424452676 484360714 /nfs/dbraw/zinc/36/07/14/484360714.db2.gz QGWHPMRAJYQCBT-GARJFASQSA-N -1 0 350.393 -0.926 20 0 FBADRM COC[C@H](NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)[C@H]1CCCO1 ZINC000424452678 484360915 /nfs/dbraw/zinc/36/09/15/484360915.db2.gz QGWHPMRAJYQCBT-HBNTYKKESA-N -1 0 350.393 -0.926 20 0 FBADRM CO[C@H](CCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C(F)(F)F ZINC000424452753 484360791 /nfs/dbraw/zinc/36/07/91/484360791.db2.gz QNUGINAGGMLHFA-HTQZYQBOSA-N -1 0 362.326 -0.153 20 0 FBADRM CO[C@H](CCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C(F)(F)F ZINC000424452754 484360970 /nfs/dbraw/zinc/36/09/70/484360970.db2.gz QNUGINAGGMLHFA-JGVFFNPUSA-N -1 0 362.326 -0.153 20 0 FBADRM CO[C@@H](CCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C(F)(F)F ZINC000424452755 484360968 /nfs/dbraw/zinc/36/09/68/484360968.db2.gz QNUGINAGGMLHFA-SFYZADRCSA-N -1 0 362.326 -0.153 20 0 FBADRM CO[C@@H](CCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C(F)(F)F ZINC000424452756 484361077 /nfs/dbraw/zinc/36/10/77/484361077.db2.gz QNUGINAGGMLHFA-YUMQZZPRSA-N -1 0 362.326 -0.153 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CCS1(=O)=O ZINC000424452979 484360558 /nfs/dbraw/zinc/36/05/58/484360558.db2.gz QRBPKARDRWAFDJ-AXFHLTTASA-N -1 0 359.404 -0.967 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CCS1(=O)=O ZINC000424452980 484360647 /nfs/dbraw/zinc/36/06/47/484360647.db2.gz QRBPKARDRWAFDJ-DCAQKATOSA-N -1 0 359.404 -0.967 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CCS1(=O)=O ZINC000424452981 484360704 /nfs/dbraw/zinc/36/07/04/484360704.db2.gz QRBPKARDRWAFDJ-MXWKQRLJSA-N -1 0 359.404 -0.967 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CCS1(=O)=O ZINC000424452982 484360781 /nfs/dbraw/zinc/36/07/81/484360781.db2.gz QRBPKARDRWAFDJ-VWYCJHECSA-N -1 0 359.404 -0.967 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCc2cnn3ccccc23)CCS1(=O)=O ZINC000424455010 484360500 /nfs/dbraw/zinc/36/05/00/484360500.db2.gz UHLCQOHWQUHPDM-GFCCVEGCSA-N -1 0 352.372 -0.273 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCc2cnn3ccccc23)CCS1(=O)=O ZINC000424455012 484360592 /nfs/dbraw/zinc/36/05/92/484360592.db2.gz UHLCQOHWQUHPDM-LBPRGKRZSA-N -1 0 352.372 -0.273 20 0 FBADRM CCOC(=O)C[C@@H](C)CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424455032 485192791 /nfs/dbraw/zinc/19/27/91/485192791.db2.gz UIZYYVNBBAZPMR-NXEZZACHSA-N -1 0 350.393 -0.531 20 0 FBADRM CCOC(=O)C[C@H](C)CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424455033 485192711 /nfs/dbraw/zinc/19/27/11/485192711.db2.gz UIZYYVNBBAZPMR-UWVGGRQHSA-N -1 0 350.393 -0.531 20 0 FBADRM CCOC(=O)C[C@H](C)CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424455035 485192239 /nfs/dbraw/zinc/19/22/39/485192239.db2.gz UIZYYVNBBAZPMR-VHSXEESVSA-N -1 0 350.393 -0.531 20 0 FBADRM CCOC(=O)C[C@@H](C)CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424455037 485192359 /nfs/dbraw/zinc/19/23/59/485192359.db2.gz UIZYYVNBBAZPMR-ZJUUUORDSA-N -1 0 350.393 -0.531 20 0 FBADRM Cn1cc2c(n1)CCC[C@@H]2NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424455612 484360731 /nfs/dbraw/zinc/36/07/31/484360731.db2.gz VETMHTBAUVONJZ-CMPLNLGQSA-N -1 0 356.404 -0.309 20 0 FBADRM Cn1cc2c(n1)CCC[C@@H]2NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424455613 484360606 /nfs/dbraw/zinc/36/06/06/484360606.db2.gz VETMHTBAUVONJZ-JQWIXIFHSA-N -1 0 356.404 -0.309 20 0 FBADRM Cn1cc2c(n1)CCC[C@H]2NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424455614 484360894 /nfs/dbraw/zinc/36/08/94/484360894.db2.gz VETMHTBAUVONJZ-PWSUYJOCSA-N -1 0 356.404 -0.309 20 0 FBADRM Cn1cc2c(n1)CCC[C@H]2NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424455615 484360674 /nfs/dbraw/zinc/36/06/74/484360674.db2.gz VETMHTBAUVONJZ-ZYHUDNBSSA-N -1 0 356.404 -0.309 20 0 FBADRM CC(C)OC(=O)CCCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424457112 485192544 /nfs/dbraw/zinc/19/25/44/485192544.db2.gz XWQGCFVFEHBADS-JTQLQIEISA-N -1 0 350.393 -0.389 20 0 FBADRM CC(C)OC(=O)CCCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424457113 485192496 /nfs/dbraw/zinc/19/24/96/485192496.db2.gz XWQGCFVFEHBADS-SNVBAGLBSA-N -1 0 350.393 -0.389 20 0 FBADRM CCc1nn(C)c(OC)c1CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424457280 484360747 /nfs/dbraw/zinc/36/07/47/484360747.db2.gz YCGVMVHUKCBDNP-LLVKDONJSA-N -1 0 374.419 -0.616 20 0 FBADRM CCc1nn(C)c(OC)c1CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424457281 484361009 /nfs/dbraw/zinc/36/10/09/484361009.db2.gz YCGVMVHUKCBDNP-NSHDSACASA-N -1 0 374.419 -0.616 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CCS1(=O)=O ZINC000424457344 484360462 /nfs/dbraw/zinc/36/04/62/484360462.db2.gz YJFWIYKFOGPGTE-NXEZZACHSA-N -1 0 359.404 -0.919 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCC(=O)NC23CCC3)CCS1(=O)=O ZINC000424457345 484360667 /nfs/dbraw/zinc/36/06/67/484360667.db2.gz YJFWIYKFOGPGTE-UWVGGRQHSA-N -1 0 359.404 -0.919 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CCS1(=O)=O ZINC000424457346 484360836 /nfs/dbraw/zinc/36/08/36/484360836.db2.gz YJFWIYKFOGPGTE-VHSXEESVSA-N -1 0 359.404 -0.919 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)N[C@H]2CCC(=O)NC23CCC3)CCS1(=O)=O ZINC000424457347 484360956 /nfs/dbraw/zinc/36/09/56/484360956.db2.gz YJFWIYKFOGPGTE-ZJUUUORDSA-N -1 0 359.404 -0.919 20 0 FBADRM C[S@@](=O)C1(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCC1 ZINC000424457803 485192396 /nfs/dbraw/zinc/19/23/96/485192396.db2.gz ZGMHNACBPWLRPG-AOUSDQRYSA-N -1 0 352.434 -0.819 20 0 FBADRM C[S@](=O)C1(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCC1 ZINC000424457804 485192401 /nfs/dbraw/zinc/19/24/01/485192401.db2.gz ZGMHNACBPWLRPG-BTKVJGODSA-N -1 0 352.434 -0.819 20 0 FBADRM C[S@](=O)C1(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCC1 ZINC000424457805 485192717 /nfs/dbraw/zinc/19/27/17/485192717.db2.gz ZGMHNACBPWLRPG-FPVGNUTFSA-N -1 0 352.434 -0.819 20 0 FBADRM C[S@@](=O)C1(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCC1 ZINC000424457806 485192959 /nfs/dbraw/zinc/19/29/59/485192959.db2.gz ZGMHNACBPWLRPG-JLTPVHFHSA-N -1 0 352.434 -0.819 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2Cc3cccc(O)c3C2)CCS1(=O)=O ZINC000424458073 484361142 /nfs/dbraw/zinc/36/11/42/484361142.db2.gz ZPPDLKDATCLLBS-GWCFXTLKSA-N -1 0 354.384 -0.247 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)N[C@H]2Cc3cccc(O)c3C2)CCS1(=O)=O ZINC000424458075 484360871 /nfs/dbraw/zinc/36/08/71/484360871.db2.gz ZPPDLKDATCLLBS-GXFFZTMASA-N -1 0 354.384 -0.247 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2Cc3cccc(O)c3C2)CCS1(=O)=O ZINC000424458077 484360812 /nfs/dbraw/zinc/36/08/12/484360812.db2.gz ZPPDLKDATCLLBS-MFKMUULPSA-N -1 0 354.384 -0.247 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)N[C@@H]2Cc3cccc(O)c3C2)CCS1(=O)=O ZINC000424458080 484360908 /nfs/dbraw/zinc/36/09/08/484360908.db2.gz ZPPDLKDATCLLBS-ZWNOBZJWSA-N -1 0 354.384 -0.247 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2ccccc2F)CCS1(=O)=O ZINC000424459905 484360677 /nfs/dbraw/zinc/36/06/77/484360677.db2.gz ACQYJJSAEHWPRR-LLVKDONJSA-N -1 0 358.347 -0.848 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2ccccc2F)CCS1(=O)=O ZINC000424459906 484360487 /nfs/dbraw/zinc/36/04/87/484360487.db2.gz ACQYJJSAEHWPRR-NSHDSACASA-N -1 0 358.347 -0.848 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCc2cccc(F)c2)CCS1(=O)=O ZINC000424460270 484361095 /nfs/dbraw/zinc/36/10/95/484361095.db2.gz AYFDAXPSGHTHQW-GFCCVEGCSA-N -1 0 372.374 -0.805 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCc2cccc(F)c2)CCS1(=O)=O ZINC000424460271 484360897 /nfs/dbraw/zinc/36/08/97/484360897.db2.gz AYFDAXPSGHTHQW-LBPRGKRZSA-N -1 0 372.374 -0.805 20 0 FBADRM COc1ccccc1CNC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424460275 484360944 /nfs/dbraw/zinc/36/09/44/484360944.db2.gz AYTDPTOOHYHPGK-GFCCVEGCSA-N -1 0 370.383 -0.978 20 0 FBADRM COc1ccccc1CNC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424460276 484360990 /nfs/dbraw/zinc/36/09/90/484360990.db2.gz AYTDPTOOHYHPGK-LBPRGKRZSA-N -1 0 370.383 -0.978 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000424461404 484361038 /nfs/dbraw/zinc/36/10/38/484361038.db2.gz CWZYMIJYYUKWJJ-CMPLNLGQSA-N -1 0 354.384 -0.426 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000424461405 484360997 /nfs/dbraw/zinc/36/09/97/484360997.db2.gz CWZYMIJYYUKWJJ-JQWIXIFHSA-N -1 0 354.384 -0.426 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000424461406 484360652 /nfs/dbraw/zinc/36/06/52/484360652.db2.gz CWZYMIJYYUKWJJ-PWSUYJOCSA-N -1 0 354.384 -0.426 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000424461407 484361073 /nfs/dbraw/zinc/36/10/73/484361073.db2.gz CWZYMIJYYUKWJJ-ZYHUDNBSSA-N -1 0 354.384 -0.426 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCc2ccc(F)cc2)CCS1(=O)=O ZINC000424461771 484362585 /nfs/dbraw/zinc/36/25/85/484362585.db2.gz DFBIXOPMDKVKOK-GFCCVEGCSA-N -1 0 372.374 -0.805 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCc2ccc(F)cc2)CCS1(=O)=O ZINC000424461773 484362112 /nfs/dbraw/zinc/36/21/12/484362112.db2.gz DFBIXOPMDKVKOK-LBPRGKRZSA-N -1 0 372.374 -0.805 20 0 FBADRM COc1cccc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424461859 484362415 /nfs/dbraw/zinc/36/24/15/484362415.db2.gz DIGVSBJINQSKPP-GFCCVEGCSA-N -1 0 370.383 -0.978 20 0 FBADRM COc1cccc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424461860 484362210 /nfs/dbraw/zinc/36/22/10/484362210.db2.gz DIGVSBJINQSKPP-LBPRGKRZSA-N -1 0 370.383 -0.978 20 0 FBADRM O=C([O-])[C@@H]1CN(c2cc(N3CCCC[C@@H]3CO)ncn2)CCS1(=O)=O ZINC000424462398 484362261 /nfs/dbraw/zinc/36/22/61/484362261.db2.gz AOUKKCKZSLAHCT-NEPJUHHUSA-N -1 0 370.431 -0.484 20 0 FBADRM O=C([O-])[C@H]1CN(c2cc(N3CCCC[C@H]3CO)ncn2)CCS1(=O)=O ZINC000424462400 484362193 /nfs/dbraw/zinc/36/21/93/484362193.db2.gz AOUKKCKZSLAHCT-NWDGAFQWSA-N -1 0 370.431 -0.484 20 0 FBADRM O=C([O-])[C@@H]1CN(c2cc(N3CCCC[C@H]3CO)ncn2)CCS1(=O)=O ZINC000424462403 484362437 /nfs/dbraw/zinc/36/24/37/484362437.db2.gz AOUKKCKZSLAHCT-RYUDHWBXSA-N -1 0 370.431 -0.484 20 0 FBADRM O=C([O-])[C@H]1CN(c2cc(N3CCCC[C@@H]3CO)ncn2)CCS1(=O)=O ZINC000424462405 484361799 /nfs/dbraw/zinc/36/17/99/484361799.db2.gz AOUKKCKZSLAHCT-VXGBXAGGSA-N -1 0 370.431 -0.484 20 0 FBADRM CCSc1nnc(NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)s1 ZINC000424462877 484430383 /nfs/dbraw/zinc/43/03/83/484430383.db2.gz BMCPIEIDJOWNJC-LURJTMIESA-N -1 0 366.446 0.366 20 0 FBADRM CCSc1nnc(NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)s1 ZINC000424462878 484430317 /nfs/dbraw/zinc/43/03/17/484430317.db2.gz BMCPIEIDJOWNJC-ZCFIWIBFSA-N -1 0 366.446 0.366 20 0 FBADRM O=C([O-])[C@@H]1CN(c2ccc3nnc(C(F)(F)F)n3n2)CCS1(=O)=O ZINC000424462894 484362547 /nfs/dbraw/zinc/36/25/47/484362547.db2.gz BPDTUUXTBVJTOT-LURJTMIESA-N -1 0 365.293 -0.169 20 0 FBADRM O=C([O-])[C@H]1CN(c2ccc3nnc(C(F)(F)F)n3n2)CCS1(=O)=O ZINC000424462895 484361565 /nfs/dbraw/zinc/36/15/65/484361565.db2.gz BPDTUUXTBVJTOT-ZCFIWIBFSA-N -1 0 365.293 -0.169 20 0 FBADRM Cc1ccccc1CCNC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424462969 484362576 /nfs/dbraw/zinc/36/25/76/484362576.db2.gz FWEPRQDUELRRLG-CYBMUJFWSA-N -1 0 368.411 -0.636 20 0 FBADRM Cc1ccccc1CCNC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424462970 484362126 /nfs/dbraw/zinc/36/21/26/484362126.db2.gz FWEPRQDUELRRLG-ZDUSSCGKSA-N -1 0 368.411 -0.636 20 0 FBADRM O=C([O-])[C@H]1CN(c2cc(N3CCC[C@@H]3CO)ncn2)CCS1(=O)=O ZINC000424463362 484362239 /nfs/dbraw/zinc/36/22/39/484362239.db2.gz BXJMJWYXICYMIJ-GHMZBOCLSA-N -1 0 356.404 -0.874 20 0 FBADRM O=C([O-])[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)ncn2)CCS1(=O)=O ZINC000424463365 484362138 /nfs/dbraw/zinc/36/21/38/484362138.db2.gz BXJMJWYXICYMIJ-MNOVXSKESA-N -1 0 356.404 -0.874 20 0 FBADRM O=C([O-])[C@@H]1CN(c2cc(N3CCC[C@H]3CO)ncn2)CCS1(=O)=O ZINC000424463368 484361923 /nfs/dbraw/zinc/36/19/23/484361923.db2.gz BXJMJWYXICYMIJ-QWRGUYRKSA-N -1 0 356.404 -0.874 20 0 FBADRM O=C([O-])[C@H]1CN(c2cc(N3CCC[C@H]3CO)ncn2)CCS1(=O)=O ZINC000424463371 484362003 /nfs/dbraw/zinc/36/20/03/484362003.db2.gz BXJMJWYXICYMIJ-WDEREUQCSA-N -1 0 356.404 -0.874 20 0 FBADRM O=C([O-])[C@@H]1CN(c2cc(N3CCC[C@@H](CO)C3)ncn2)CCS1(=O)=O ZINC000424463886 484362362 /nfs/dbraw/zinc/36/23/62/484362362.db2.gz CZJDCWDDMCBOOQ-NEPJUHHUSA-N -1 0 370.431 -0.627 20 0 FBADRM O=C([O-])[C@H]1CN(c2cc(N3CCC[C@H](CO)C3)ncn2)CCS1(=O)=O ZINC000424463888 484362329 /nfs/dbraw/zinc/36/23/29/484362329.db2.gz CZJDCWDDMCBOOQ-NWDGAFQWSA-N -1 0 370.431 -0.627 20 0 FBADRM O=C([O-])[C@@H]1CN(c2cc(N3CCC[C@H](CO)C3)ncn2)CCS1(=O)=O ZINC000424463889 484362298 /nfs/dbraw/zinc/36/22/98/484362298.db2.gz CZJDCWDDMCBOOQ-RYUDHWBXSA-N -1 0 370.431 -0.627 20 0 FBADRM O=C([O-])[C@H]1CN(c2cc(N3CCC[C@@H](CO)C3)ncn2)CCS1(=O)=O ZINC000424463890 484362346 /nfs/dbraw/zinc/36/23/46/484362346.db2.gz CZJDCWDDMCBOOQ-VXGBXAGGSA-N -1 0 370.431 -0.627 20 0 FBADRM Cc1ccc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1 ZINC000424464005 484362165 /nfs/dbraw/zinc/36/21/65/484362165.db2.gz HJGJXTDWVMDYHR-GFCCVEGCSA-N -1 0 354.384 -0.679 20 0 FBADRM Cc1ccc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1 ZINC000424464007 484362052 /nfs/dbraw/zinc/36/20/52/484362052.db2.gz HJGJXTDWVMDYHR-LBPRGKRZSA-N -1 0 354.384 -0.679 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCC2=CCCCC2)CCS1(=O)=O ZINC000424464088 484362099 /nfs/dbraw/zinc/36/20/99/484362099.db2.gz HPJLJEGNUMJXEZ-GFCCVEGCSA-N -1 0 358.416 -0.297 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCC2=CCCCC2)CCS1(=O)=O ZINC000424464089 484362083 /nfs/dbraw/zinc/36/20/83/484362083.db2.gz HPJLJEGNUMJXEZ-LBPRGKRZSA-N -1 0 358.416 -0.297 20 0 FBADRM CS(=O)(=O)c1ccc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c(F)c1 ZINC000424464459 484362514 /nfs/dbraw/zinc/36/25/14/484362514.db2.gz DJDHQWKQDYZCKO-LLVKDONJSA-N -1 0 351.377 -0.083 20 0 FBADRM CS(=O)(=O)c1ccc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c(F)c1 ZINC000424464463 484361783 /nfs/dbraw/zinc/36/17/83/484361783.db2.gz DJDHQWKQDYZCKO-NSHDSACASA-N -1 0 351.377 -0.083 20 0 FBADRM CNS(=O)(=O)c1ccc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c(F)c1 ZINC000424464469 484362386 /nfs/dbraw/zinc/36/23/86/484362386.db2.gz DKAIKQJMZVLCBY-LLVKDONJSA-N -1 0 366.392 -0.578 20 0 FBADRM CNS(=O)(=O)c1ccc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c(F)c1 ZINC000424464475 484362046 /nfs/dbraw/zinc/36/20/46/484362046.db2.gz DKAIKQJMZVLCBY-NSHDSACASA-N -1 0 366.392 -0.578 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)NCCc1nnc2n1CCC2)C(=O)[O-] ZINC000424464844 485191446 /nfs/dbraw/zinc/19/14/46/485191446.db2.gz IVLPMKPHJGXFFQ-UHFFFAOYSA-N -1 0 351.407 -0.110 20 0 FBADRM COc1ccc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1 ZINC000424465540 484362186 /nfs/dbraw/zinc/36/21/86/484362186.db2.gz JTWPGGWPSFSBPY-GFCCVEGCSA-N -1 0 370.383 -0.978 20 0 FBADRM COc1ccc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1 ZINC000424465542 484362590 /nfs/dbraw/zinc/36/25/90/484362590.db2.gz JTWPGGWPSFSBPY-LBPRGKRZSA-N -1 0 370.383 -0.978 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCc2cccs2)CCS1(=O)=O ZINC000424465580 484361941 /nfs/dbraw/zinc/36/19/41/484361941.db2.gz JWNBJHCCVDFXSA-JTQLQIEISA-N -1 0 360.413 -0.883 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCc2cccs2)CCS1(=O)=O ZINC000424465584 484361855 /nfs/dbraw/zinc/36/18/55/484361855.db2.gz JWNBJHCCVDFXSA-SNVBAGLBSA-N -1 0 360.413 -0.883 20 0 FBADRM Cc1ccccc1CNC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424465923 484361544 /nfs/dbraw/zinc/36/15/44/484361544.db2.gz KARABLZBAJAJHU-GFCCVEGCSA-N -1 0 354.384 -0.679 20 0 FBADRM Cc1ccccc1CNC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424465924 484362409 /nfs/dbraw/zinc/36/24/09/484362409.db2.gz KARABLZBAJAJHU-LBPRGKRZSA-N -1 0 354.384 -0.679 20 0 FBADRM CCCCOCCCNC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424465978 484361587 /nfs/dbraw/zinc/36/15/87/484361587.db2.gz KEDZYFFEPAZJNZ-LLVKDONJSA-N -1 0 364.420 -0.980 20 0 FBADRM CCCCOCCCNC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424465979 484362281 /nfs/dbraw/zinc/36/22/81/484362281.db2.gz KEDZYFFEPAZJNZ-NSHDSACASA-N -1 0 364.420 -0.980 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2ccc(Cl)cc2)CCS1(=O)=O ZINC000424466243 484362468 /nfs/dbraw/zinc/36/24/68/484362468.db2.gz KMCQNWSKLJLEDI-LLVKDONJSA-N -1 0 374.802 -0.334 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2ccc(Cl)cc2)CCS1(=O)=O ZINC000424466244 484361559 /nfs/dbraw/zinc/36/15/59/484361559.db2.gz KMCQNWSKLJLEDI-NSHDSACASA-N -1 0 374.802 -0.334 20 0 FBADRM O=C([O-])[C@@H]1CN(c2cnn(Cc3ccccc3)c(=O)c2)CCS1(=O)=O ZINC000424466503 484362220 /nfs/dbraw/zinc/36/22/20/484362220.db2.gz GPUNDVNFQYLAHM-AWEZNQCLSA-N -1 0 363.395 -0.020 20 0 FBADRM O=C([O-])[C@H]1CN(c2cnn(Cc3ccccc3)c(=O)c2)CCS1(=O)=O ZINC000424466504 484362309 /nfs/dbraw/zinc/36/23/09/484362309.db2.gz GPUNDVNFQYLAHM-CQSZACIVSA-N -1 0 363.395 -0.020 20 0 FBADRM O=C([O-])[C@@H]1CN(c2cc(C(F)(F)F)nc3ncnn32)CCS1(=O)=O ZINC000424467078 484362520 /nfs/dbraw/zinc/36/25/20/484362520.db2.gz HJSQALWSKHOWQE-LURJTMIESA-N -1 0 365.293 -0.169 20 0 FBADRM O=C([O-])[C@H]1CN(c2cc(C(F)(F)F)nc3ncnn32)CCS1(=O)=O ZINC000424467079 484362156 /nfs/dbraw/zinc/36/21/56/484362156.db2.gz HJSQALWSKHOWQE-ZCFIWIBFSA-N -1 0 365.293 -0.169 20 0 FBADRM CC[C@@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000424467350 484362104 /nfs/dbraw/zinc/36/21/04/484362104.db2.gz MRUUEOSMRFBJRM-CHWSQXEVSA-N -1 0 368.411 -0.036 20 0 FBADRM CC[C@@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000424467351 484362553 /nfs/dbraw/zinc/36/25/53/484362553.db2.gz MRUUEOSMRFBJRM-OLZOCXBDSA-N -1 0 368.411 -0.036 20 0 FBADRM CC[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000424467352 484362380 /nfs/dbraw/zinc/36/23/80/484362380.db2.gz MRUUEOSMRFBJRM-QWHCGFSZSA-N -1 0 368.411 -0.036 20 0 FBADRM CC[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000424467354 484361680 /nfs/dbraw/zinc/36/16/80/484361680.db2.gz MRUUEOSMRFBJRM-STQMWFEESA-N -1 0 368.411 -0.036 20 0 FBADRM Cn1ncc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c(Br)c1=O ZINC000424468591 484362277 /nfs/dbraw/zinc/36/22/77/484362277.db2.gz JQBADSACKDWODK-SSDOTTSWSA-N -1 0 366.193 -0.769 20 0 FBADRM Cn1ncc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c(Br)c1=O ZINC000424468592 484362076 /nfs/dbraw/zinc/36/20/76/484362076.db2.gz JQBADSACKDWODK-ZETCQYMHSA-N -1 0 366.193 -0.769 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCc2ccccc2F)CCS1(=O)=O ZINC000424468754 484361637 /nfs/dbraw/zinc/36/16/37/484361637.db2.gz OMJGAKXULVQERY-GFCCVEGCSA-N -1 0 372.374 -0.805 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCc2ccccc2F)CCS1(=O)=O ZINC000424468757 484362480 /nfs/dbraw/zinc/36/24/80/484362480.db2.gz OMJGAKXULVQERY-LBPRGKRZSA-N -1 0 372.374 -0.805 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC000424468776 485192491 /nfs/dbraw/zinc/19/24/91/485192491.db2.gz ABKVDAVQLMRORB-LLVKDONJSA-N -1 0 362.448 -0.210 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC000424468786 485192507 /nfs/dbraw/zinc/19/25/07/485192507.db2.gz ABKVDAVQLMRORB-NSHDSACASA-N -1 0 362.448 -0.210 20 0 FBADRM COCCNC(=O)c1ccc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)nc1 ZINC000424469240 484362229 /nfs/dbraw/zinc/36/22/29/484362229.db2.gz KOYDNLJUNVGQNS-LLVKDONJSA-N -1 0 357.388 -0.854 20 0 FBADRM COCCNC(=O)c1ccc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)nc1 ZINC000424469249 484362475 /nfs/dbraw/zinc/36/24/75/484362475.db2.gz KOYDNLJUNVGQNS-NSHDSACASA-N -1 0 357.388 -0.854 20 0 FBADRM CC(C)Cc1nnc(NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)s1 ZINC000424469919 484192335 /nfs/dbraw/zinc/19/23/35/484192335.db2.gz KZFHGJQLUZCGIR-MRVPVSSYSA-N -1 0 362.433 0.452 20 0 FBADRM CC(C)Cc1nnc(NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)s1 ZINC000424469920 484191708 /nfs/dbraw/zinc/19/17/08/484191708.db2.gz KZFHGJQLUZCGIR-QMMMGPOBSA-N -1 0 362.433 0.452 20 0 FBADRM Cc1cc(C)n(-c2ccc(N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)nn2)n1 ZINC000424470021 484362170 /nfs/dbraw/zinc/36/21/70/484362170.db2.gz LGKFEBKKJHRAMZ-LLVKDONJSA-N -1 0 351.388 -0.033 20 0 FBADRM Cc1cc(C)n(-c2ccc(N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)nn2)n1 ZINC000424470024 484362420 /nfs/dbraw/zinc/36/24/20/484362420.db2.gz LGKFEBKKJHRAMZ-NSHDSACASA-N -1 0 351.388 -0.033 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2ccccc2Cl)CCS1(=O)=O ZINC000424470214 484362539 /nfs/dbraw/zinc/36/25/39/484362539.db2.gz PZRSVNDBYZXPIH-LLVKDONJSA-N -1 0 374.802 -0.334 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2ccccc2Cl)CCS1(=O)=O ZINC000424470216 484361600 /nfs/dbraw/zinc/36/16/00/484361600.db2.gz PZRSVNDBYZXPIH-NSHDSACASA-N -1 0 374.802 -0.334 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCCc1nnc2n1CCC2)C(=O)[O-] ZINC000424470291 485192511 /nfs/dbraw/zinc/19/25/11/485192511.db2.gz QITDRAMEWKPHRQ-LLVKDONJSA-N -1 0 351.407 -0.254 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCCc1nnc2n1CCC2)C(=O)[O-] ZINC000424470292 485192231 /nfs/dbraw/zinc/19/22/31/485192231.db2.gz QITDRAMEWKPHRQ-NSHDSACASA-N -1 0 351.407 -0.254 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000424470295 484362564 /nfs/dbraw/zinc/36/25/64/484362564.db2.gz QIZAPCWITKNVKK-AAEUAGOBSA-N -1 0 368.411 -0.384 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000424470296 484362132 /nfs/dbraw/zinc/36/21/32/484362132.db2.gz QIZAPCWITKNVKK-DGCLKSJQSA-N -1 0 368.411 -0.384 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000424470297 484361582 /nfs/dbraw/zinc/36/15/82/484361582.db2.gz QIZAPCWITKNVKK-WCQYABFASA-N -1 0 368.411 -0.384 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000424470298 484362455 /nfs/dbraw/zinc/36/24/55/484362455.db2.gz QIZAPCWITKNVKK-YPMHNXCESA-N -1 0 368.411 -0.384 20 0 FBADRM Cc1cc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)ccc1F ZINC000424470581 484362021 /nfs/dbraw/zinc/36/20/21/484362021.db2.gz QUMYAADWVBNKER-GFCCVEGCSA-N -1 0 372.374 -0.539 20 0 FBADRM Cc1cc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)ccc1F ZINC000424470582 484362255 /nfs/dbraw/zinc/36/22/55/484362255.db2.gz QUMYAADWVBNKER-LBPRGKRZSA-N -1 0 372.374 -0.539 20 0 FBADRM COc1nc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)ncc1Br ZINC000424471689 484361868 /nfs/dbraw/zinc/36/18/68/484361868.db2.gz OBMCNIAOCXONPT-SSDOTTSWSA-N -1 0 366.193 -0.064 20 0 FBADRM COc1nc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)ncc1Br ZINC000424471691 484362092 /nfs/dbraw/zinc/36/20/92/484362092.db2.gz OBMCNIAOCXONPT-ZETCQYMHSA-N -1 0 366.193 -0.064 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2cccc(Cl)c2)CCS1(=O)=O ZINC000424471846 484361736 /nfs/dbraw/zinc/36/17/36/484361736.db2.gz TUMREUZHQASJFX-LLVKDONJSA-N -1 0 374.802 -0.334 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2cccc(Cl)c2)CCS1(=O)=O ZINC000424471847 484362371 /nfs/dbraw/zinc/36/23/71/484362371.db2.gz TUMREUZHQASJFX-NSHDSACASA-N -1 0 374.802 -0.334 20 0 FBADRM C[C@@H](CCc1ccco1)NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424472562 484762732 /nfs/dbraw/zinc/76/27/32/484762732.db2.gz VGBGTSCFMWKZQJ-CMPLNLGQSA-N -1 0 372.399 -0.573 20 0 FBADRM C[C@@H](CCc1ccco1)NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424472564 484762550 /nfs/dbraw/zinc/76/25/50/484762550.db2.gz VGBGTSCFMWKZQJ-JQWIXIFHSA-N -1 0 372.399 -0.573 20 0 FBADRM C[C@H](CCc1ccco1)NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424472565 484361691 /nfs/dbraw/zinc/36/16/91/484361691.db2.gz VGBGTSCFMWKZQJ-PWSUYJOCSA-N -1 0 372.399 -0.573 20 0 FBADRM C[C@H](CCc1ccco1)NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424472566 484361593 /nfs/dbraw/zinc/36/15/93/484361593.db2.gz VGBGTSCFMWKZQJ-ZYHUDNBSSA-N -1 0 372.399 -0.573 20 0 FBADRM Cc1cc(C)n(-c2cncc(N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)n2)n1 ZINC000424472734 484361834 /nfs/dbraw/zinc/36/18/34/484361834.db2.gz PLTXCVDODOTKLS-LLVKDONJSA-N -1 0 351.388 -0.033 20 0 FBADRM Cc1cc(C)n(-c2cncc(N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)n2)n1 ZINC000424472737 484362375 /nfs/dbraw/zinc/36/23/75/484362375.db2.gz PLTXCVDODOTKLS-NSHDSACASA-N -1 0 351.388 -0.033 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Nc2ccc(-n3cnnn3)cc2)CCS1(=O)=O ZINC000424473192 484361824 /nfs/dbraw/zinc/36/18/24/484361824.db2.gz PXUZPTLJBGNPDO-LLVKDONJSA-N -1 0 366.359 -0.622 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccc(-n3cnnn3)cc2)CCS1(=O)=O ZINC000424473194 484362461 /nfs/dbraw/zinc/36/24/61/484362461.db2.gz PXUZPTLJBGNPDO-NSHDSACASA-N -1 0 366.359 -0.622 20 0 FBADRM C[C@@H]1C[C@H]1c1nnc2ccc(N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)nn21 ZINC000424473288 484353981 /nfs/dbraw/zinc/35/39/81/484353981.db2.gz QKFSAGCLNJQWHB-BBBLOLIVSA-N -1 0 351.388 -0.064 20 0 FBADRM C[C@@H]1C[C@@H]1c1nnc2ccc(N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)nn21 ZINC000424473289 484353642 /nfs/dbraw/zinc/35/36/42/484353642.db2.gz QKFSAGCLNJQWHB-KXUCPTDWSA-N -1 0 351.388 -0.064 20 0 FBADRM C[C@@H]1C[C@H]1c1nnc2ccc(N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)nn21 ZINC000424473291 484354165 /nfs/dbraw/zinc/35/41/65/484354165.db2.gz QKFSAGCLNJQWHB-OPRDCNLKSA-N -1 0 351.388 -0.064 20 0 FBADRM C[C@@H]1C[C@@H]1c1nnc2ccc(N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)nn21 ZINC000424473292 484354346 /nfs/dbraw/zinc/35/43/46/484354346.db2.gz QKFSAGCLNJQWHB-UTLUCORTSA-N -1 0 351.388 -0.064 20 0 FBADRM Cc1ccc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1F ZINC000424473514 484354427 /nfs/dbraw/zinc/35/44/27/484354427.db2.gz WONPBZFWKZJOGB-GFCCVEGCSA-N -1 0 372.374 -0.539 20 0 FBADRM Cc1ccc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1F ZINC000424473515 484354368 /nfs/dbraw/zinc/35/43/68/484354368.db2.gz WONPBZFWKZJOGB-LBPRGKRZSA-N -1 0 372.374 -0.539 20 0 FBADRM C[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)[C@H]1C ZINC000424474108 484354020 /nfs/dbraw/zinc/35/40/20/484354020.db2.gz XHZRNYMDLAWHGT-NOOOWODRSA-N -1 0 360.432 -0.363 20 0 FBADRM C[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)[C@H]1C ZINC000424474109 484353652 /nfs/dbraw/zinc/35/36/52/484353652.db2.gz XHZRNYMDLAWHGT-RHYQMDGZSA-N -1 0 360.432 -0.363 20 0 FBADRM C[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)[C@@H]1C ZINC000424474111 484354318 /nfs/dbraw/zinc/35/43/18/484354318.db2.gz XHZRNYMDLAWHGT-WISYIIOYSA-N -1 0 360.432 -0.363 20 0 FBADRM C[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)[C@@H]1C ZINC000424474112 484354388 /nfs/dbraw/zinc/35/43/88/484354388.db2.gz XHZRNYMDLAWHGT-WYUUTHIRSA-N -1 0 360.432 -0.363 20 0 FBADRM CC(C)(C)c1nnc(NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)s1 ZINC000424474973 484133346 /nfs/dbraw/zinc/13/33/46/484133346.db2.gz SGDXQQVZBUECCV-SSDOTTSWSA-N -1 0 362.433 0.551 20 0 FBADRM CC(C)(C)c1nnc(NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)s1 ZINC000424474974 484132429 /nfs/dbraw/zinc/13/24/29/484132429.db2.gz SGDXQQVZBUECCV-ZETCQYMHSA-N -1 0 362.433 0.551 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2nnc(C(F)(F)F)s2)CCS1(=O)=O ZINC000424475006 484368415 /nfs/dbraw/zinc/36/84/15/484368415.db2.gz SMWOSWLBNKZTDZ-BYPYZUCNSA-N -1 0 374.322 0.272 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Nc2nnc(C(F)(F)F)s2)CCS1(=O)=O ZINC000424475007 484368320 /nfs/dbraw/zinc/36/83/20/484368320.db2.gz SMWOSWLBNKZTDZ-SCSAIBSYSA-N -1 0 374.322 0.272 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1)C(=O)[O-] ZINC000424475855 485194760 /nfs/dbraw/zinc/19/47/60/485194760.db2.gz CJDVNDYKGPTRRP-NEPJUHHUSA-N -1 0 356.423 -0.244 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1)C(=O)[O-] ZINC000424475857 485195228 /nfs/dbraw/zinc/19/52/28/485195228.db2.gz CJDVNDYKGPTRRP-NWDGAFQWSA-N -1 0 356.423 -0.244 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1)C(=O)[O-] ZINC000424475860 485194930 /nfs/dbraw/zinc/19/49/30/485194930.db2.gz CJDVNDYKGPTRRP-RYUDHWBXSA-N -1 0 356.423 -0.244 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1)C(=O)[O-] ZINC000424476225 485194798 /nfs/dbraw/zinc/19/47/98/485194798.db2.gz CJDVNDYKGPTRRP-VXGBXAGGSA-N -1 0 356.423 -0.244 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NC[C@H](C)CN1CCOCC1)C(=O)[O-] ZINC000424476514 485192554 /nfs/dbraw/zinc/19/25/54/485192554.db2.gz ABANIZHEOYILSO-KBPBESRZSA-N -1 0 357.451 -0.066 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@H](C)CN1CCOCC1)C(=O)[O-] ZINC000424476517 485192465 /nfs/dbraw/zinc/19/24/65/485192465.db2.gz ABANIZHEOYILSO-KGLIPLIRSA-N -1 0 357.451 -0.066 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@H](C)CN1CCOCC1)C(=O)[O-] ZINC000424476521 485192987 /nfs/dbraw/zinc/19/29/87/485192987.db2.gz ABANIZHEOYILSO-UONOGXRCSA-N -1 0 357.451 -0.066 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H](C)CN1CCOCC1)C(=O)[O-] ZINC000424476525 485192547 /nfs/dbraw/zinc/19/25/47/485192547.db2.gz ABANIZHEOYILSO-ZIAGYGMSSA-N -1 0 357.451 -0.066 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)CC(F)(F)F ZINC000424476563 484354030 /nfs/dbraw/zinc/35/40/30/484354030.db2.gz ASPYTOQGPYCFHK-HTQZYQBOSA-N -1 0 374.337 -0.599 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)CC(F)(F)F ZINC000424476566 484354274 /nfs/dbraw/zinc/35/42/74/484354274.db2.gz ASPYTOQGPYCFHK-JGVFFNPUSA-N -1 0 374.337 -0.599 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)CC(F)(F)F ZINC000424476570 484354083 /nfs/dbraw/zinc/35/40/83/484354083.db2.gz ASPYTOQGPYCFHK-SFYZADRCSA-N -1 0 374.337 -0.599 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)CC(F)(F)F ZINC000424476572 484354119 /nfs/dbraw/zinc/35/41/19/484354119.db2.gz ASPYTOQGPYCFHK-YUMQZZPRSA-N -1 0 374.337 -0.599 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)NCCS(=O)(=O)NC(C)C)C(=O)[O-] ZINC000424476573 485195108 /nfs/dbraw/zinc/19/51/08/485195108.db2.gz AEHNNRWNRGMEBK-UHFFFAOYSA-N -1 0 365.452 -0.562 20 0 FBADRM CC(C)OCCCCNC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424476607 484353795 /nfs/dbraw/zinc/35/37/95/484353795.db2.gz AGELGTUZQQIALR-LLVKDONJSA-N -1 0 364.420 -0.982 20 0 FBADRM CC(C)OCCCCNC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424476609 484354224 /nfs/dbraw/zinc/35/42/24/484354224.db2.gz AGELGTUZQQIALR-NSHDSACASA-N -1 0 364.420 -0.982 20 0 FBADRM C[C@@H]1CCC[C@@H](C)C1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424476630 484354091 /nfs/dbraw/zinc/35/40/91/484354091.db2.gz ALORFDVTXXZHEA-GMTAPVOTSA-N -1 0 360.432 -0.363 20 0 FBADRM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424476633 484353921 /nfs/dbraw/zinc/35/39/21/484353921.db2.gz ALORFDVTXXZHEA-KXNHARMFSA-N -1 0 360.432 -0.363 20 0 FBADRM C[C@@H]1CCC[C@@H](C)C1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424476635 484354014 /nfs/dbraw/zinc/35/40/14/484354014.db2.gz ALORFDVTXXZHEA-MXWKQRLJSA-N -1 0 360.432 -0.363 20 0 FBADRM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424476638 484354203 /nfs/dbraw/zinc/35/42/03/484354203.db2.gz ALORFDVTXXZHEA-WHOHXGKFSA-N -1 0 360.432 -0.363 20 0 FBADRM Cc1ccsc1CNC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424476656 484354445 /nfs/dbraw/zinc/35/44/45/484354445.db2.gz ANTGSPTWXOFFOX-JTQLQIEISA-N -1 0 360.413 -0.617 20 0 FBADRM Cc1ccsc1CNC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424476660 484354415 /nfs/dbraw/zinc/35/44/15/484354415.db2.gz ANTGSPTWXOFFOX-SNVBAGLBSA-N -1 0 360.413 -0.617 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N1CCCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000424476689 485194655 /nfs/dbraw/zinc/19/46/55/485194655.db2.gz AVZKSNXEGTXERO-UHFFFAOYSA-N -1 0 363.436 -0.903 20 0 FBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424476711 485194934 /nfs/dbraw/zinc/19/49/34/485194934.db2.gz ALJPDEVRWVQZKJ-GHMZBOCLSA-N -1 0 350.437 -0.211 20 0 FBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000424476714 485194707 /nfs/dbraw/zinc/19/47/07/485194707.db2.gz ALJPDEVRWVQZKJ-MNOVXSKESA-N -1 0 350.437 -0.211 20 0 FBADRM CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000424476717 485194739 /nfs/dbraw/zinc/19/47/39/485194739.db2.gz ALJPDEVRWVQZKJ-QWRGUYRKSA-N -1 0 350.437 -0.211 20 0 FBADRM CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424476720 485195116 /nfs/dbraw/zinc/19/51/16/485195116.db2.gz ALJPDEVRWVQZKJ-WDEREUQCSA-N -1 0 350.437 -0.211 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCc1ccc(C(N)=O)nc1)C(=O)[O-] ZINC000424476892 485194968 /nfs/dbraw/zinc/19/49/68/485194968.db2.gz DFAGHRJIPXIRAX-LLVKDONJSA-N -1 0 350.375 -0.340 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCc1ccc(C(N)=O)nc1)C(=O)[O-] ZINC000424476894 485195234 /nfs/dbraw/zinc/19/52/34/485195234.db2.gz DFAGHRJIPXIRAX-NSHDSACASA-N -1 0 350.375 -0.340 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCCCN1C(=O)CCC1=O)C(=O)[O-] ZINC000424476941 485194793 /nfs/dbraw/zinc/19/47/93/485194793.db2.gz DJYVMKKTEJDHSK-LLVKDONJSA-N -1 0 355.391 -0.495 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCCCN1C(=O)CCC1=O)C(=O)[O-] ZINC000424476942 485194981 /nfs/dbraw/zinc/19/49/81/485194981.db2.gz DJYVMKKTEJDHSK-NSHDSACASA-N -1 0 355.391 -0.495 20 0 FBADRM CC[C@H](CC(F)(F)F)NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424477349 484354197 /nfs/dbraw/zinc/35/41/97/484354197.db2.gz BAJZWYHMUBORGV-HTQZYQBOSA-N -1 0 374.337 -0.456 20 0 FBADRM CC[C@@H](CC(F)(F)F)NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424477350 484353835 /nfs/dbraw/zinc/35/38/35/484353835.db2.gz BAJZWYHMUBORGV-JGVFFNPUSA-N -1 0 374.337 -0.456 20 0 FBADRM CC[C@H](CC(F)(F)F)NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424477352 484354207 /nfs/dbraw/zinc/35/42/07/484354207.db2.gz BAJZWYHMUBORGV-SFYZADRCSA-N -1 0 374.337 -0.456 20 0 FBADRM CC[C@@H](CC(F)(F)F)NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424477353 484353944 /nfs/dbraw/zinc/35/39/44/484353944.db2.gz BAJZWYHMUBORGV-YUMQZZPRSA-N -1 0 374.337 -0.456 20 0 FBADRM CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])[C@@H](C)CS(C)(=O)=O ZINC000424477387 485194862 /nfs/dbraw/zinc/19/48/62/485194862.db2.gz DSXJLCIENNZJRU-JTQLQIEISA-N -1 0 350.437 -0.115 20 0 FBADRM CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])[C@H](C)CS(C)(=O)=O ZINC000424477388 485194661 /nfs/dbraw/zinc/19/46/61/485194661.db2.gz DSXJLCIENNZJRU-SNVBAGLBSA-N -1 0 350.437 -0.115 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCN(c2cccnn2)CC1)C(=O)[O-] ZINC000424477849 485195916 /nfs/dbraw/zinc/19/59/16/485195916.db2.gz FSBOLUCULBUJDN-CYBMUJFWSA-N -1 0 363.418 -0.012 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(c2cccnn2)CC1)C(=O)[O-] ZINC000424477851 485196257 /nfs/dbraw/zinc/19/62/57/485196257.db2.gz FSBOLUCULBUJDN-ZDUSSCGKSA-N -1 0 363.418 -0.012 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)C(=O)[O-] ZINC000424478000 485195765 /nfs/dbraw/zinc/19/57/65/485195765.db2.gz CKIUWGYMPUUXKX-LLVKDONJSA-N -1 0 354.407 -0.334 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)C(=O)[O-] ZINC000424478003 485195675 /nfs/dbraw/zinc/19/56/75/485195675.db2.gz CKIUWGYMPUUXKX-NSHDSACASA-N -1 0 354.407 -0.334 20 0 FBADRM O=C([O-])[C@@H]1CN(c2cc(N3CCSCC3)ncn2)CCS1(=O)=O ZINC000424478070 484354133 /nfs/dbraw/zinc/35/41/33/484354133.db2.gz WMJZULIEKSGOQN-JTQLQIEISA-N -1 0 358.445 -0.282 20 0 FBADRM O=C([O-])[C@H]1CN(c2cc(N3CCSCC3)ncn2)CCS1(=O)=O ZINC000424478071 484353847 /nfs/dbraw/zinc/35/38/47/484353847.db2.gz WMJZULIEKSGOQN-SNVBAGLBSA-N -1 0 358.445 -0.282 20 0 FBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424478235 485196337 /nfs/dbraw/zinc/19/63/37/485196337.db2.gz GHKOHXDQLNDMJP-NXEZZACHSA-N -1 0 350.437 -0.117 20 0 FBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424478236 485195667 /nfs/dbraw/zinc/19/56/67/485195667.db2.gz GHKOHXDQLNDMJP-UWVGGRQHSA-N -1 0 350.437 -0.117 20 0 FBADRM C[C@H]([C@H](C)N(C)C(=O)C(=O)NCCC(C)(C)C(=O)[O-])S(C)(=O)=O ZINC000424478237 485195851 /nfs/dbraw/zinc/19/58/51/485195851.db2.gz GHKOHXDQLNDMJP-VHSXEESVSA-N -1 0 350.437 -0.117 20 0 FBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424478238 485195686 /nfs/dbraw/zinc/19/56/86/485195686.db2.gz GHKOHXDQLNDMJP-ZJUUUORDSA-N -1 0 350.437 -0.117 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])C[C@@H](C)O1 ZINC000424478548 485195662 /nfs/dbraw/zinc/19/56/62/485195662.db2.gz ANBMXESSKAXDEI-GRYCIOLGSA-N -1 0 358.391 -0.362 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])C[C@@H](C)O1 ZINC000424478549 485195720 /nfs/dbraw/zinc/19/57/20/485195720.db2.gz ANBMXESSKAXDEI-IJLUTSLNSA-N -1 0 358.391 -0.362 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000424478592 485195630 /nfs/dbraw/zinc/19/56/30/485195630.db2.gz CWRLAHLUTFNRKH-AOOOYVTPSA-N -1 0 356.281 -0.094 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1)C(=O)[O-] ZINC000424478607 485196031 /nfs/dbraw/zinc/19/60/31/485196031.db2.gz CZGCXKFNHVKDBO-UHFFFAOYSA-N -1 0 367.381 -0.119 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC000424479091 485196062 /nfs/dbraw/zinc/19/60/62/485196062.db2.gz DFYVIEIQFDLWNX-NEPJUHHUSA-N -1 0 371.434 -0.254 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC000424479094 485195655 /nfs/dbraw/zinc/19/56/55/485195655.db2.gz DFYVIEIQFDLWNX-NWDGAFQWSA-N -1 0 371.434 -0.254 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC000424479096 485195883 /nfs/dbraw/zinc/19/58/83/485195883.db2.gz DFYVIEIQFDLWNX-RYUDHWBXSA-N -1 0 371.434 -0.254 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC000424479098 485195734 /nfs/dbraw/zinc/19/57/34/485195734.db2.gz DFYVIEIQFDLWNX-VXGBXAGGSA-N -1 0 371.434 -0.254 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000424479199 485195864 /nfs/dbraw/zinc/19/58/64/485195864.db2.gz HEZUIBMNRNDESC-UHFFFAOYSA-N -1 0 363.436 -0.903 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000424479249 485195621 /nfs/dbraw/zinc/19/56/21/485195621.db2.gz HKCOMDVQHSVHLQ-UHFFFAOYSA-N -1 0 353.297 -0.206 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])C1 ZINC000424479325 485195876 /nfs/dbraw/zinc/19/58/76/485195876.db2.gz DUECUEFOBQSCAZ-NEPJUHHUSA-N -1 0 356.423 -0.231 20 0 FBADRM CCNC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])C1 ZINC000424479329 485196378 /nfs/dbraw/zinc/19/63/78/485196378.db2.gz DUECUEFOBQSCAZ-NWDGAFQWSA-N -1 0 356.423 -0.231 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])C1 ZINC000424479332 485195960 /nfs/dbraw/zinc/19/59/60/485195960.db2.gz DUECUEFOBQSCAZ-RYUDHWBXSA-N -1 0 356.423 -0.231 20 0 FBADRM CCNC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])C1 ZINC000424479336 485195651 /nfs/dbraw/zinc/19/56/51/485195651.db2.gz DUECUEFOBQSCAZ-VXGBXAGGSA-N -1 0 356.423 -0.231 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCN(c2cnccn2)CC1)C(=O)[O-] ZINC000424479601 485195831 /nfs/dbraw/zinc/19/58/31/485195831.db2.gz HVSBCHMZMMHJCC-CYBMUJFWSA-N -1 0 363.418 -0.012 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(c2cnccn2)CC1)C(=O)[O-] ZINC000424479603 485195786 /nfs/dbraw/zinc/19/57/86/485195786.db2.gz HVSBCHMZMMHJCC-ZDUSSCGKSA-N -1 0 363.418 -0.012 20 0 FBADRM Cn1cc(N2CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC2=O)cn1 ZINC000424479625 485195908 /nfs/dbraw/zinc/19/59/08/485195908.db2.gz FCDCMAPHEHZIRG-UHFFFAOYSA-N -1 0 365.390 -0.788 20 0 FBADRM COCCN1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC1=O ZINC000424479803 485196221 /nfs/dbraw/zinc/19/62/21/485196221.db2.gz CGNGVCYOZSLMDO-GFCCVEGCSA-N -1 0 357.407 -0.833 20 0 FBADRM COCCN1CCN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC1=O ZINC000424479804 485196176 /nfs/dbraw/zinc/19/61/76/485196176.db2.gz CGNGVCYOZSLMDO-LBPRGKRZSA-N -1 0 357.407 -0.833 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Nc2nnc(-c3ccco3)s2)CCS1(=O)=O ZINC000424480050 484367958 /nfs/dbraw/zinc/36/79/58/484367958.db2.gz YEWLBXHNNQBPSQ-MRVPVSSYSA-N -1 0 372.384 0.514 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2nnc(-c3ccco3)s2)CCS1(=O)=O ZINC000424480054 484368190 /nfs/dbraw/zinc/36/81/90/484368190.db2.gz YEWLBXHNNQBPSQ-QMMMGPOBSA-N -1 0 372.384 0.514 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCC2CC(F)(F)C2)CCS1(=O)=O ZINC000424480076 484353915 /nfs/dbraw/zinc/35/39/15/484353915.db2.gz FWWVFTVGEZOGPR-SECBINFHSA-N -1 0 368.358 -0.752 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCC2CC(F)(F)C2)CCS1(=O)=O ZINC000424480083 484353669 /nfs/dbraw/zinc/35/36/69/484353669.db2.gz FWWVFTVGEZOGPR-VIFPVBQESA-N -1 0 368.358 -0.752 20 0 FBADRM O=C([O-])[C@H]1CN(c2nccc(N[C@@H]3CCCOC3)n2)CCS1(=O)=O ZINC000424480154 484368355 /nfs/dbraw/zinc/36/83/55/484368355.db2.gz YKYAZFZISUPDHW-GHMZBOCLSA-N -1 0 356.404 -0.245 20 0 FBADRM O=C([O-])[C@@H]1CN(c2nccc(N[C@@H]3CCCOC3)n2)CCS1(=O)=O ZINC000424480160 484368121 /nfs/dbraw/zinc/36/81/21/484368121.db2.gz YKYAZFZISUPDHW-MNOVXSKESA-N -1 0 356.404 -0.245 20 0 FBADRM O=C([O-])[C@@H]1CN(c2nccc(N[C@H]3CCCOC3)n2)CCS1(=O)=O ZINC000424480163 484368544 /nfs/dbraw/zinc/36/85/44/484368544.db2.gz YKYAZFZISUPDHW-QWRGUYRKSA-N -1 0 356.404 -0.245 20 0 FBADRM O=C([O-])[C@H]1CN(c2nccc(N[C@H]3CCCOC3)n2)CCS1(=O)=O ZINC000424480165 484368681 /nfs/dbraw/zinc/36/86/81/484368681.db2.gz YKYAZFZISUPDHW-WDEREUQCSA-N -1 0 356.404 -0.245 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCN(CCOC)C(=O)C1)C(=O)[O-] ZINC000424480542 485195791 /nfs/dbraw/zinc/19/57/91/485195791.db2.gz DBWOWPMFWNGTLK-UHFFFAOYSA-N -1 0 357.407 -0.689 20 0 FBADRM CC(C)(CNC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C1=CCCC1 ZINC000424480594 484353785 /nfs/dbraw/zinc/35/37/85/484353785.db2.gz GIUREEVEZVICBF-GFCCVEGCSA-N -1 0 372.443 -0.051 20 0 FBADRM CC(C)(CNC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C1=CCCC1 ZINC000424480598 484354472 /nfs/dbraw/zinc/35/44/72/484354472.db2.gz GIUREEVEZVICBF-LBPRGKRZSA-N -1 0 372.443 -0.051 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCC(N2CCNC2=O)CC1)C(=O)[O-] ZINC000424480822 485195839 /nfs/dbraw/zinc/19/58/39/485195839.db2.gz JBPDLUNZRLDTEN-GFCCVEGCSA-N -1 0 368.434 -0.134 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCC(N2CCNC2=O)CC1)C(=O)[O-] ZINC000424480825 485196381 /nfs/dbraw/zinc/19/63/81/485196381.db2.gz JBPDLUNZRLDTEN-LBPRGKRZSA-N -1 0 368.434 -0.134 20 0 FBADRM CCN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000424481674 485196245 /nfs/dbraw/zinc/19/62/45/485196245.db2.gz KZHZUPSBSUOUDU-NEPJUHHUSA-N -1 0 362.448 -0.115 20 0 FBADRM CCN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000424481675 485195640 /nfs/dbraw/zinc/19/56/40/485195640.db2.gz KZHZUPSBSUOUDU-NWDGAFQWSA-N -1 0 362.448 -0.115 20 0 FBADRM CCN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000424481676 485195671 /nfs/dbraw/zinc/19/56/71/485195671.db2.gz KZHZUPSBSUOUDU-RYUDHWBXSA-N -1 0 362.448 -0.115 20 0 FBADRM CCN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000424481677 485195845 /nfs/dbraw/zinc/19/58/45/485195845.db2.gz KZHZUPSBSUOUDU-VXGBXAGGSA-N -1 0 362.448 -0.115 20 0 FBADRM COCC(=O)N1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000424482129 485196928 /nfs/dbraw/zinc/19/69/28/485196928.db2.gz MBNSSYUJKDUWSZ-GFCCVEGCSA-N -1 0 357.407 -0.833 20 0 FBADRM COCC(=O)N1CCN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC1 ZINC000424482130 485197226 /nfs/dbraw/zinc/19/72/26/485197226.db2.gz MBNSSYUJKDUWSZ-LBPRGKRZSA-N -1 0 357.407 -0.833 20 0 FBADRM Cn1cc([C@@H]2CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C[C@H]2CO)cn1 ZINC000424482262 485197063 /nfs/dbraw/zinc/19/70/63/485197063.db2.gz MOAZOLJTHOVLKI-STQMWFEESA-N -1 0 366.418 -0.429 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000424482366 485196737 /nfs/dbraw/zinc/19/67/37/485196737.db2.gz NAMIXEALKVQZIU-GHMZBOCLSA-N -1 0 350.437 -0.259 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000424482368 485196892 /nfs/dbraw/zinc/19/68/92/485196892.db2.gz NAMIXEALKVQZIU-MNOVXSKESA-N -1 0 350.437 -0.259 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000424482369 485197211 /nfs/dbraw/zinc/19/72/11/485197211.db2.gz NAMIXEALKVQZIU-QWRGUYRKSA-N -1 0 350.437 -0.259 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000424482370 485197261 /nfs/dbraw/zinc/19/72/61/485197261.db2.gz NAMIXEALKVQZIU-WDEREUQCSA-N -1 0 350.437 -0.259 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CCO1 ZINC000424482469 485197189 /nfs/dbraw/zinc/19/71/89/485197189.db2.gz NCDMHKVIEVFBHL-CHWSQXEVSA-N -1 0 357.407 -0.787 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CCO1 ZINC000424482470 485196684 /nfs/dbraw/zinc/19/66/84/485196684.db2.gz NCDMHKVIEVFBHL-OLZOCXBDSA-N -1 0 357.407 -0.787 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CCO1 ZINC000424482471 485197171 /nfs/dbraw/zinc/19/71/71/485197171.db2.gz NCDMHKVIEVFBHL-QWHCGFSZSA-N -1 0 357.407 -0.787 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CCO1 ZINC000424482472 485197325 /nfs/dbraw/zinc/19/73/25/485197325.db2.gz NCDMHKVIEVFBHL-STQMWFEESA-N -1 0 357.407 -0.787 20 0 FBADRM Cn1cc(N2CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC2)cn1 ZINC000424482900 485197155 /nfs/dbraw/zinc/19/71/55/485197155.db2.gz OEJINTHHEZPMSN-UHFFFAOYSA-N -1 0 351.407 -0.314 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424482927 485196980 /nfs/dbraw/zinc/19/69/80/485196980.db2.gz OKVHZPHGSWOXMA-JTQLQIEISA-N -1 0 350.437 -0.115 20 0 FBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424482928 485196799 /nfs/dbraw/zinc/19/67/99/485196799.db2.gz OKVHZPHGSWOXMA-SNVBAGLBSA-N -1 0 350.437 -0.115 20 0 FBADRM COC(=O)[C@H](O)C1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000424483427 485196663 /nfs/dbraw/zinc/19/66/63/485196663.db2.gz QJQGCLPDRAQFGZ-LLVKDONJSA-N -1 0 358.391 -0.624 20 0 FBADRM COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000424483428 485196924 /nfs/dbraw/zinc/19/69/24/485196924.db2.gz QJQGCLPDRAQFGZ-NSHDSACASA-N -1 0 358.391 -0.624 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCc2nn(C)c(=O)cc2C1)C(=O)[O-] ZINC000424483541 485197251 /nfs/dbraw/zinc/19/72/51/485197251.db2.gz QNDWYXJMXXKSGV-LLVKDONJSA-N -1 0 364.402 -0.472 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCc2nn(C)c(=O)cc2C1)C(=O)[O-] ZINC000424483542 485196987 /nfs/dbraw/zinc/19/69/87/485196987.db2.gz QNDWYXJMXXKSGV-NSHDSACASA-N -1 0 364.402 -0.472 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CCN1CC(C)(C)O ZINC000424483558 485197114 /nfs/dbraw/zinc/19/71/14/485197114.db2.gz QQANQAZYBQHONF-GFCCVEGCSA-N -1 0 357.451 -0.093 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CCN1CC(C)(C)O ZINC000424483559 485197326 /nfs/dbraw/zinc/19/73/26/485197326.db2.gz QQANQAZYBQHONF-LBPRGKRZSA-N -1 0 357.451 -0.093 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1)C(=O)[O-] ZINC000424483846 485197247 /nfs/dbraw/zinc/19/72/47/485197247.db2.gz RQSDJJVCLMYTNK-PXAZEXFGSA-N -1 0 353.419 -0.022 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1)C(=O)[O-] ZINC000424483847 485196956 /nfs/dbraw/zinc/19/69/56/485196956.db2.gz RQSDJJVCLMYTNK-SJCJKPOMSA-N -1 0 353.419 -0.022 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1)C(=O)[O-] ZINC000424483848 485196745 /nfs/dbraw/zinc/19/67/45/485196745.db2.gz RQSDJJVCLMYTNK-SJKOYZFVSA-N -1 0 353.419 -0.022 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1)C(=O)[O-] ZINC000424483849 485197059 /nfs/dbraw/zinc/19/70/59/485197059.db2.gz RQSDJJVCLMYTNK-YVEFUNNKSA-N -1 0 353.419 -0.022 20 0 FBADRM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424484002 485197302 /nfs/dbraw/zinc/19/73/02/485197302.db2.gz RXSCFMYKVYARKS-CHWSQXEVSA-N -1 0 374.434 -0.524 20 0 FBADRM COCCO[C@H]1C[C@@H](CO)CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424484004 485197053 /nfs/dbraw/zinc/19/70/53/485197053.db2.gz RXSCFMYKVYARKS-OLZOCXBDSA-N -1 0 374.434 -0.524 20 0 FBADRM COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424484005 485196657 /nfs/dbraw/zinc/19/66/57/485196657.db2.gz RXSCFMYKVYARKS-QWHCGFSZSA-N -1 0 374.434 -0.524 20 0 FBADRM COCCO[C@H]1C[C@H](CO)CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424484006 485197257 /nfs/dbraw/zinc/19/72/57/485197257.db2.gz RXSCFMYKVYARKS-STQMWFEESA-N -1 0 374.434 -0.524 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1)C(=O)[O-] ZINC000424484239 485196907 /nfs/dbraw/zinc/19/69/07/485196907.db2.gz SWAYFQMBDIEMII-CYBMUJFWSA-N -1 0 365.434 -0.083 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1)C(=O)[O-] ZINC000424484240 485197092 /nfs/dbraw/zinc/19/70/92/485197092.db2.gz SWAYFQMBDIEMII-ZDUSSCGKSA-N -1 0 365.434 -0.083 20 0 FBADRM C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424484400 485197276 /nfs/dbraw/zinc/19/72/76/485197276.db2.gz UJUHENIRXAEHGB-GFCCVEGCSA-N -1 0 357.451 -0.093 20 0 FBADRM C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424484401 485196825 /nfs/dbraw/zinc/19/68/25/485196825.db2.gz UJUHENIRXAEHGB-LBPRGKRZSA-N -1 0 357.451 -0.093 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)C(=O)[O-] ZINC000424484446 484508352 /nfs/dbraw/zinc/50/83/52/484508352.db2.gz UPZXZWKWOYYLHO-UHFFFAOYSA-N -1 0 370.435 -0.614 20 0 FBADRM COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000424484461 485196814 /nfs/dbraw/zinc/19/68/14/485196814.db2.gz URIAPPZMZJFEAS-UHFFFAOYSA-N -1 0 371.434 -0.301 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCS1 ZINC000424484477 484354495 /nfs/dbraw/zinc/35/44/95/484354495.db2.gz AASLMWGRHDIRSR-NXEZZACHSA-N -1 0 364.445 -0.949 20 0 FBADRM CC[C@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCS1 ZINC000424484478 484354215 /nfs/dbraw/zinc/35/42/15/484354215.db2.gz AASLMWGRHDIRSR-UWVGGRQHSA-N -1 0 364.445 -0.949 20 0 FBADRM CC[C@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCS1 ZINC000424484479 484353773 /nfs/dbraw/zinc/35/37/73/484353773.db2.gz AASLMWGRHDIRSR-VHSXEESVSA-N -1 0 364.445 -0.949 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCS1 ZINC000424484480 484353966 /nfs/dbraw/zinc/35/39/66/484353966.db2.gz AASLMWGRHDIRSR-ZJUUUORDSA-N -1 0 364.445 -0.949 20 0 FBADRM COCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1 ZINC000424484537 485196671 /nfs/dbraw/zinc/19/66/71/485196671.db2.gz AHWSUGDJKHDJBG-KRWDZBQOSA-N -1 0 355.435 -0.121 20 0 FBADRM COCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000424484538 485197267 /nfs/dbraw/zinc/19/72/67/485197267.db2.gz AHWSUGDJKHDJBG-QGZVFWFLSA-N -1 0 355.435 -0.121 20 0 FBADRM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424484569 484354188 /nfs/dbraw/zinc/35/41/88/484354188.db2.gz ALEAFNQSYVTDNP-KXNHARMFSA-N -1 0 360.432 -0.410 20 0 FBADRM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424484570 484354097 /nfs/dbraw/zinc/35/40/97/484354097.db2.gz ALEAFNQSYVTDNP-NOOOWODRSA-N -1 0 360.432 -0.410 20 0 FBADRM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424484571 484354454 /nfs/dbraw/zinc/35/44/54/484354454.db2.gz ALEAFNQSYVTDNP-RHYQMDGZSA-N -1 0 360.432 -0.410 20 0 FBADRM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424484572 484354106 /nfs/dbraw/zinc/35/41/06/484354106.db2.gz ALEAFNQSYVTDNP-WRWGMCAJSA-N -1 0 360.432 -0.410 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CCN1S(C)(=O)=O ZINC000424484653 485196645 /nfs/dbraw/zinc/19/66/45/485196645.db2.gz VIVDMDLXHVYYNL-JTQLQIEISA-N -1 0 363.436 -0.904 20 0 FBADRM CCN(C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C1CCCCC1 ZINC000424484723 484353761 /nfs/dbraw/zinc/35/37/61/484353761.db2.gz ARFKGVZREBZPGY-GFCCVEGCSA-N -1 0 360.432 -0.122 20 0 FBADRM CCN(C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C1CCCCC1 ZINC000424484724 484354437 /nfs/dbraw/zinc/35/44/37/484354437.db2.gz ARFKGVZREBZPGY-LBPRGKRZSA-N -1 0 360.432 -0.122 20 0 FBADRM C[C@@H]1CC[C@@]2(CCN(C(=O)C(=O)N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)C2)C1 ZINC000424484765 484353814 /nfs/dbraw/zinc/35/38/14/484353814.db2.gz AWWMWBYYRUANNV-BFQNTYOBSA-N -1 0 372.443 -0.265 20 0 FBADRM C[C@@H]1CC[C@]2(CCN(C(=O)C(=O)N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)C2)C1 ZINC000424484766 484353681 /nfs/dbraw/zinc/35/36/81/484353681.db2.gz AWWMWBYYRUANNV-HSMVNMDESA-N -1 0 372.443 -0.265 20 0 FBADRM C[C@@H]1CC[C@]2(CCN(C(=O)C(=O)N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)C2)C1 ZINC000424484767 484354105 /nfs/dbraw/zinc/35/41/05/484354105.db2.gz AWWMWBYYRUANNV-WQGACYEGSA-N -1 0 372.443 -0.265 20 0 FBADRM C[C@@H]1CC[C@@]2(CCN(C(=O)C(=O)N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)C2)C1 ZINC000424484768 484353989 /nfs/dbraw/zinc/35/39/89/484353989.db2.gz AWWMWBYYRUANNV-XHBSWPGZSA-N -1 0 372.443 -0.265 20 0 FBADRM CC(C)(C)C[C@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424484893 484354126 /nfs/dbraw/zinc/35/41/26/484354126.db2.gz AZRVJPXNLYMLLW-NEPJUHHUSA-N -1 0 374.459 -0.019 20 0 FBADRM CC(C)(C)C[C@@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424484894 484354159 /nfs/dbraw/zinc/35/41/59/484354159.db2.gz AZRVJPXNLYMLLW-NWDGAFQWSA-N -1 0 374.459 -0.019 20 0 FBADRM CC(C)(C)C[C@@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424484895 484354382 /nfs/dbraw/zinc/35/43/82/484354382.db2.gz AZRVJPXNLYMLLW-RYUDHWBXSA-N -1 0 374.459 -0.019 20 0 FBADRM CC(C)(C)C[C@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424484896 484354462 /nfs/dbraw/zinc/35/44/62/484354462.db2.gz AZRVJPXNLYMLLW-VXGBXAGGSA-N -1 0 374.459 -0.019 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC(C)(C)C1 ZINC000424484899 484354067 /nfs/dbraw/zinc/35/40/67/484354067.db2.gz BALDCXLCJNDIEY-GHMZBOCLSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC(C)(C)C1 ZINC000424484900 484354242 /nfs/dbraw/zinc/35/42/42/484354242.db2.gz BALDCXLCJNDIEY-MNOVXSKESA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC(C)(C)C1 ZINC000424484901 484354078 /nfs/dbraw/zinc/35/40/78/484354078.db2.gz BALDCXLCJNDIEY-QWRGUYRKSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC(C)(C)C1 ZINC000424484902 484354153 /nfs/dbraw/zinc/35/41/53/484354153.db2.gz BALDCXLCJNDIEY-WDEREUQCSA-N -1 0 360.432 -0.409 20 0 FBADRM CC[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424485123 484353936 /nfs/dbraw/zinc/35/39/36/484353936.db2.gz BPKWTKJLOANRJF-QJPTWQEYSA-N -1 0 360.432 -0.266 20 0 FBADRM CC[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424485124 484354001 /nfs/dbraw/zinc/35/40/01/484354001.db2.gz BPKWTKJLOANRJF-TUAOUCFPSA-N -1 0 360.432 -0.266 20 0 FBADRM C[C@@H](c1cccnc1)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424485156 484354485 /nfs/dbraw/zinc/35/44/85/484354485.db2.gz BTHQOWCMYMESLA-CMPLNLGQSA-N -1 0 369.399 -0.689 20 0 FBADRM C[C@@H](c1cccnc1)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424485157 484354061 /nfs/dbraw/zinc/35/40/61/484354061.db2.gz BTHQOWCMYMESLA-JQWIXIFHSA-N -1 0 369.399 -0.689 20 0 FBADRM C[C@H](c1cccnc1)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424485158 484354457 /nfs/dbraw/zinc/35/44/57/484354457.db2.gz BTHQOWCMYMESLA-PWSUYJOCSA-N -1 0 369.399 -0.689 20 0 FBADRM C[C@H](c1cccnc1)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424485159 484354449 /nfs/dbraw/zinc/35/44/49/484354449.db2.gz BTHQOWCMYMESLA-ZYHUDNBSSA-N -1 0 369.399 -0.689 20 0 FBADRM COC(=O)CCN1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])[C@H](C)C1 ZINC000424485250 485198288 /nfs/dbraw/zinc/19/82/88/485198288.db2.gz WUYPZKWZYXQKBM-GFCCVEGCSA-N -1 0 371.434 -0.301 20 0 FBADRM COC(=O)CCN1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])[C@@H](C)C1 ZINC000424485252 485197809 /nfs/dbraw/zinc/19/78/09/485197809.db2.gz WUYPZKWZYXQKBM-LBPRGKRZSA-N -1 0 371.434 -0.301 20 0 FBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424485533 485198134 /nfs/dbraw/zinc/19/81/34/485198134.db2.gz XYWSGDQZPONUDP-JTQLQIEISA-N -1 0 363.436 -0.856 20 0 FBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424485534 485198252 /nfs/dbraw/zinc/19/82/52/485198252.db2.gz XYWSGDQZPONUDP-SNVBAGLBSA-N -1 0 363.436 -0.856 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000424485655 485197691 /nfs/dbraw/zinc/19/76/91/485197691.db2.gz YUNXTAJMDBGHDF-CYBMUJFWSA-N -1 0 370.450 -0.870 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC1 ZINC000424485656 485198351 /nfs/dbraw/zinc/19/83/51/485198351.db2.gz YUNXTAJMDBGHDF-ZDUSSCGKSA-N -1 0 370.450 -0.870 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCN(CC(C)(C)O)CC1)C(=O)[O-] ZINC000424485910 485197954 /nfs/dbraw/zinc/19/79/54/485197954.db2.gz DJNULMZLRFRGFO-UHFFFAOYSA-N -1 0 357.451 -0.091 20 0 FBADRM Cc1cscc1CNC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424485943 484353719 /nfs/dbraw/zinc/35/37/19/484353719.db2.gz GWUTXFXCHJWFSU-JTQLQIEISA-N -1 0 360.413 -0.617 20 0 FBADRM Cc1cscc1CNC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424485945 484353905 /nfs/dbraw/zinc/35/39/05/484353905.db2.gz GWUTXFXCHJWFSU-SNVBAGLBSA-N -1 0 360.413 -0.617 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC000424486005 485197929 /nfs/dbraw/zinc/19/79/29/485197929.db2.gz DPXOFGBWJVBTMM-NEPJUHHUSA-N -1 0 362.448 -0.115 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC000424486008 485197963 /nfs/dbraw/zinc/19/79/63/485197963.db2.gz DPXOFGBWJVBTMM-NWDGAFQWSA-N -1 0 362.448 -0.115 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC000424486009 485197823 /nfs/dbraw/zinc/19/78/23/485197823.db2.gz DPXOFGBWJVBTMM-RYUDHWBXSA-N -1 0 362.448 -0.115 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC000424486011 485197680 /nfs/dbraw/zinc/19/76/80/485197680.db2.gz DPXOFGBWJVBTMM-VXGBXAGGSA-N -1 0 362.448 -0.115 20 0 FBADRM Cc1ccc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)nc1C ZINC000424486069 484353748 /nfs/dbraw/zinc/35/37/48/484353748.db2.gz HGNHMOGNUIAMJZ-GFCCVEGCSA-N -1 0 369.399 -0.975 20 0 FBADRM Cc1ccc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)nc1C ZINC000424486072 484353809 /nfs/dbraw/zinc/35/38/09/484353809.db2.gz HGNHMOGNUIAMJZ-LBPRGKRZSA-N -1 0 369.399 -0.975 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCc2nn(C)c(=O)cc2C1)C(=O)[O-] ZINC000424486455 485198354 /nfs/dbraw/zinc/19/83/54/485198354.db2.gz FQDYSFLHSSJWCE-UHFFFAOYSA-N -1 0 364.402 -0.328 20 0 FBADRM COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC2 ZINC000424486489 485198023 /nfs/dbraw/zinc/19/80/23/485198023.db2.gz IBVQBALDWUDBCD-JTQLQIEISA-N -1 0 367.406 -0.527 20 0 FBADRM COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC2 ZINC000424486493 485198314 /nfs/dbraw/zinc/19/83/14/485198314.db2.gz IBVQBALDWUDBCD-SNVBAGLBSA-N -1 0 367.406 -0.527 20 0 FBADRM Cc1cc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc(C)n1 ZINC000424486509 484354248 /nfs/dbraw/zinc/35/42/48/484354248.db2.gz ICXZEMGXMBOUOP-GFCCVEGCSA-N -1 0 369.399 -0.975 20 0 FBADRM Cc1cc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc(C)n1 ZINC000424486510 484353824 /nfs/dbraw/zinc/35/38/24/484353824.db2.gz ICXZEMGXMBOUOP-LBPRGKRZSA-N -1 0 369.399 -0.975 20 0 FBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])O1 ZINC000424486565 485198173 /nfs/dbraw/zinc/19/81/73/485198173.db2.gz IKXWOBDNLIKXKE-GHMZBOCLSA-N -1 0 357.407 -0.645 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])O1 ZINC000424486566 485198284 /nfs/dbraw/zinc/19/82/84/485198284.db2.gz IKXWOBDNLIKXKE-MNOVXSKESA-N -1 0 357.407 -0.645 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])O1 ZINC000424486567 485197967 /nfs/dbraw/zinc/19/79/67/485197967.db2.gz IKXWOBDNLIKXKE-QWRGUYRKSA-N -1 0 357.407 -0.645 20 0 FBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])O1 ZINC000424486568 485197946 /nfs/dbraw/zinc/19/79/46/485197946.db2.gz IKXWOBDNLIKXKE-WDEREUQCSA-N -1 0 357.407 -0.645 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCc1nnnn1CC1CC1)C(=O)[O-] ZINC000424486582 485198130 /nfs/dbraw/zinc/19/81/30/485198130.db2.gz IOOOWSFSPDVTEU-LLVKDONJSA-N -1 0 352.395 -0.438 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCc1nnnn1CC1CC1)C(=O)[O-] ZINC000424486583 485198373 /nfs/dbraw/zinc/19/83/73/485198373.db2.gz IOOOWSFSPDVTEU-NSHDSACASA-N -1 0 352.395 -0.438 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCN(CC(C)(C)O)CC1)C(=O)[O-] ZINC000424486650 485198119 /nfs/dbraw/zinc/19/81/19/485198119.db2.gz GGJWIMQTPOESFF-CYBMUJFWSA-N -1 0 357.451 -0.235 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(CC(C)(C)O)CC1)C(=O)[O-] ZINC000424486651 485198387 /nfs/dbraw/zinc/19/83/87/485198387.db2.gz GGJWIMQTPOESFF-ZDUSSCGKSA-N -1 0 357.451 -0.235 20 0 FBADRM CS(=O)(=O)CCCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000424486704 485198162 /nfs/dbraw/zinc/19/81/62/485198162.db2.gz IRUWYVFTSLLKFR-XHDPSFHLSA-N -1 0 360.432 -0.359 20 0 FBADRM CC(C)(CCNC(=O)C(=O)NCC1(CS(C)(=O)=O)CCC1)C(=O)[O-] ZINC000424486705 485197973 /nfs/dbraw/zinc/19/79/73/485197973.db2.gz IRZRJSPYUKSIOB-UHFFFAOYSA-N -1 0 362.448 -0.065 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCC1(N2CCOCC2)CC1)C(=O)[O-] ZINC000424486737 485197989 /nfs/dbraw/zinc/19/79/89/485197989.db2.gz IXEFTUKXXJDOHF-CYBMUJFWSA-N -1 0 355.435 -0.170 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCC1(N2CCOCC2)CC1)C(=O)[O-] ZINC000424486738 485198232 /nfs/dbraw/zinc/19/82/32/485198232.db2.gz IXEFTUKXXJDOHF-ZDUSSCGKSA-N -1 0 355.435 -0.170 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1cncc(F)c1 ZINC000424486786 484354479 /nfs/dbraw/zinc/35/44/79/484354479.db2.gz JEAADCFSERELHG-GZMMTYOYSA-N -1 0 373.362 -0.892 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1cncc(F)c1 ZINC000424486787 484354263 /nfs/dbraw/zinc/35/42/63/484354263.db2.gz JEAADCFSERELHG-KWQFWETISA-N -1 0 373.362 -0.892 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCO[C@H](CC(=O)OC)C1)C(=O)[O-] ZINC000424486932 485197765 /nfs/dbraw/zinc/19/77/65/485197765.db2.gz HCXFFZWCZLPSRZ-LLVKDONJSA-N -1 0 358.391 -0.216 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCO[C@@H](CC(=O)OC)C1)C(=O)[O-] ZINC000424486934 485197758 /nfs/dbraw/zinc/19/77/58/485197758.db2.gz HCXFFZWCZLPSRZ-NSHDSACASA-N -1 0 358.391 -0.216 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N(C)CC(=O)N1CCOCC1)C(=O)[O-] ZINC000424487154 485198332 /nfs/dbraw/zinc/19/83/32/485198332.db2.gz HFDILBVCADJBOF-GFCCVEGCSA-N -1 0 357.407 -0.833 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N(C)CC(=O)N1CCOCC1)C(=O)[O-] ZINC000424487155 485198094 /nfs/dbraw/zinc/19/80/94/485198094.db2.gz HFDILBVCADJBOF-LBPRGKRZSA-N -1 0 357.407 -0.833 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC000424487385 485198925 /nfs/dbraw/zinc/19/89/25/485198925.db2.gz JXLRSLGXGGJTGP-AGIUHOORSA-N -1 0 371.434 -0.399 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC000424487386 485199351 /nfs/dbraw/zinc/19/93/51/485199351.db2.gz JXLRSLGXGGJTGP-FRRDWIJNSA-N -1 0 371.434 -0.399 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC000424487387 485199310 /nfs/dbraw/zinc/19/93/10/485199310.db2.gz JXLRSLGXGGJTGP-JHJVBQTASA-N -1 0 371.434 -0.399 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC000424487388 485199257 /nfs/dbraw/zinc/19/92/57/485199257.db2.gz JXLRSLGXGGJTGP-UPJWGTAASA-N -1 0 371.434 -0.399 20 0 FBADRM CCCC1(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCC1 ZINC000424487390 484353885 /nfs/dbraw/zinc/35/38/85/484353885.db2.gz JXOSYJKEXFQNJK-LLVKDONJSA-N -1 0 360.432 -0.217 20 0 FBADRM CCCC1(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCC1 ZINC000424487391 484354499 /nfs/dbraw/zinc/35/44/99/484354499.db2.gz JXOSYJKEXFQNJK-NSHDSACASA-N -1 0 360.432 -0.217 20 0 FBADRM Cc1cc(C)c(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cn1 ZINC000424487404 484354299 /nfs/dbraw/zinc/35/42/99/484354299.db2.gz JZWXFWITRYYNDG-GFCCVEGCSA-N -1 0 369.399 -0.975 20 0 FBADRM Cc1cc(C)c(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cn1 ZINC000424487405 484354395 /nfs/dbraw/zinc/35/43/95/484354395.db2.gz JZWXFWITRYYNDG-LBPRGKRZSA-N -1 0 369.399 -0.975 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@H](C2CC2)C2CCC2)CCS1(=O)=O ZINC000424487564 484354111 /nfs/dbraw/zinc/35/41/11/484354111.db2.gz KFKQHLWTMCNBCG-NEPJUHHUSA-N -1 0 358.416 -0.609 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H](C2CC2)C2CCC2)CCS1(=O)=O ZINC000424487565 484354007 /nfs/dbraw/zinc/35/40/07/484354007.db2.gz KFKQHLWTMCNBCG-NWDGAFQWSA-N -1 0 358.416 -0.609 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H](C2CC2)C2CCC2)CCS1(=O)=O ZINC000424487566 484354325 /nfs/dbraw/zinc/35/43/25/484354325.db2.gz KFKQHLWTMCNBCG-RYUDHWBXSA-N -1 0 358.416 -0.609 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H](C2CC2)C2CCC2)CCS1(=O)=O ZINC000424487567 484354281 /nfs/dbraw/zinc/35/42/81/484354281.db2.gz KFKQHLWTMCNBCG-VXGBXAGGSA-N -1 0 358.416 -0.609 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC2(C3CC3)CCC2)CCS1(=O)=O ZINC000424487579 484354290 /nfs/dbraw/zinc/35/42/90/484354290.db2.gz KGFGYPQZJOPFGG-LLVKDONJSA-N -1 0 358.416 -0.607 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC2(C3CC3)CCC2)CCS1(=O)=O ZINC000424487580 484354504 /nfs/dbraw/zinc/35/45/04/484354504.db2.gz KGFGYPQZJOPFGG-NSHDSACASA-N -1 0 358.416 -0.607 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCC2(CNC(=O)C2)CC1)C(=O)[O-] ZINC000424487664 484355288 /nfs/dbraw/zinc/35/52/88/484355288.db2.gz IFBRQIFZDCKXIL-GFCCVEGCSA-N -1 0 353.419 -0.022 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCC2(CNC(=O)C2)CC1)C(=O)[O-] ZINC000424487665 484355553 /nfs/dbraw/zinc/35/55/53/484355553.db2.gz IFBRQIFZDCKXIL-LBPRGKRZSA-N -1 0 353.419 -0.022 20 0 FBADRM CC(C)CC(C)(C)CNC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424487753 484355210 /nfs/dbraw/zinc/35/52/10/484355210.db2.gz KNQSEBDIXOTFLQ-LLVKDONJSA-N -1 0 362.448 -0.115 20 0 FBADRM CC(C)CC(C)(C)CNC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424487754 484355216 /nfs/dbraw/zinc/35/52/16/484355216.db2.gz KNQSEBDIXOTFLQ-NSHDSACASA-N -1 0 362.448 -0.115 20 0 FBADRM CC(C)(CCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000424487759 485199009 /nfs/dbraw/zinc/19/90/09/485199009.db2.gz KOPMZIYCKQSCAH-SNVBAGLBSA-N -1 0 363.436 -0.856 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)NCCNC(=O)c1ccn[nH]1)C(=O)[O-] ZINC000424487826 485199099 /nfs/dbraw/zinc/19/90/99/485199099.db2.gz KYPJPKBDJCLHHY-UHFFFAOYSA-N -1 0 353.379 -0.737 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2C2CCCCC2)CCS1(=O)=O ZINC000424488039 484355550 /nfs/dbraw/zinc/35/55/50/484355550.db2.gz LOFABBCUECDPPQ-XQQFMLRXSA-N -1 0 372.443 -0.218 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2C2CCCCC2)CCS1(=O)=O ZINC000424488043 484355540 /nfs/dbraw/zinc/35/55/40/484355540.db2.gz LOFABBCUECDPPQ-YNEHKIRRSA-N -1 0 372.443 -0.218 20 0 FBADRM CC(C)CC1(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1 ZINC000424488223 484355450 /nfs/dbraw/zinc/35/54/50/484355450.db2.gz LZOPSAFHBOKAGB-LLVKDONJSA-N -1 0 360.432 -0.361 20 0 FBADRM CC(C)CC1(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1 ZINC000424488225 484354896 /nfs/dbraw/zinc/35/48/96/484354896.db2.gz LZOPSAFHBOKAGB-NSHDSACASA-N -1 0 360.432 -0.361 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N(C)CC(=O)N1CCOCC1)C(=O)[O-] ZINC000424488308 485198883 /nfs/dbraw/zinc/19/88/83/485198883.db2.gz KFBLMLWJWFESDP-UHFFFAOYSA-N -1 0 357.407 -0.689 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000424488631 485198998 /nfs/dbraw/zinc/19/89/98/485198998.db2.gz MTMGAUHBWGQZNB-UHFFFAOYSA-N -1 0 363.436 -0.999 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1)C(=O)[O-] ZINC000424488649 485199222 /nfs/dbraw/zinc/19/92/22/485199222.db2.gz LNNLHSDOJASBJV-QWRGUYRKSA-N -1 0 355.391 -0.891 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCCS2)CCS1(=O)=O ZINC000424488673 484355086 /nfs/dbraw/zinc/35/50/86/484355086.db2.gz MWCXJLZNRJAPQH-NXEZZACHSA-N -1 0 364.445 -0.902 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCS2)CCS1(=O)=O ZINC000424488675 484355455 /nfs/dbraw/zinc/35/54/55/484355455.db2.gz MWCXJLZNRJAPQH-UWVGGRQHSA-N -1 0 364.445 -0.902 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCS2)CCS1(=O)=O ZINC000424488677 484355338 /nfs/dbraw/zinc/35/53/38/484355338.db2.gz MWCXJLZNRJAPQH-VHSXEESVSA-N -1 0 364.445 -0.902 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCCS2)CCS1(=O)=O ZINC000424488679 484355460 /nfs/dbraw/zinc/35/54/60/484355460.db2.gz MWCXJLZNRJAPQH-ZJUUUORDSA-N -1 0 364.445 -0.902 20 0 FBADRM CC(C)(CCNC(=O)C(=O)NCCc1nnnn1-c1ccccc1)C(=O)[O-] ZINC000424489199 485199441 /nfs/dbraw/zinc/19/94/41/485199441.db2.gz PGKIIXVXLMQBKU-UHFFFAOYSA-N -1 0 374.401 -0.062 20 0 FBADRM COC(=O)[C@@H]1CSCCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424489221 485199227 /nfs/dbraw/zinc/19/92/27/485199227.db2.gz PHKGBYXBLYDAFK-JTQLQIEISA-N -1 0 360.432 -0.032 20 0 FBADRM COC(=O)[C@H]1CSCCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424489222 485198974 /nfs/dbraw/zinc/19/89/74/485198974.db2.gz PHKGBYXBLYDAFK-SNVBAGLBSA-N -1 0 360.432 -0.032 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCC1(S(C)(=O)=O)CCC1)C(=O)[O-] ZINC000424489259 485199160 /nfs/dbraw/zinc/19/91/60/485199160.db2.gz PPINRIWBVMOTER-LLVKDONJSA-N -1 0 362.448 -0.067 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCC1(S(C)(=O)=O)CCC1)C(=O)[O-] ZINC000424489260 485198869 /nfs/dbraw/zinc/19/88/69/485198869.db2.gz PPINRIWBVMOTER-NSHDSACASA-N -1 0 362.448 -0.067 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000424489278 485199274 /nfs/dbraw/zinc/19/92/74/485199274.db2.gz PTUNHUMBCBWEKE-NEPJUHHUSA-N -1 0 362.448 -0.067 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000424489279 485199332 /nfs/dbraw/zinc/19/93/32/485199332.db2.gz PTUNHUMBCBWEKE-NWDGAFQWSA-N -1 0 362.448 -0.067 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000424489280 485199615 /nfs/dbraw/zinc/19/96/15/485199615.db2.gz PTUNHUMBCBWEKE-RYUDHWBXSA-N -1 0 362.448 -0.067 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000424489281 485199249 /nfs/dbraw/zinc/19/92/49/485199249.db2.gz PTUNHUMBCBWEKE-VXGBXAGGSA-N -1 0 362.448 -0.067 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000424489338 485199341 /nfs/dbraw/zinc/19/93/41/485199341.db2.gz QDDQPUHTXBXICB-GFCCVEGCSA-N -1 0 369.418 -0.547 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000424489339 485199095 /nfs/dbraw/zinc/19/90/95/485199095.db2.gz QDDQPUHTXBXICB-LBPRGKRZSA-N -1 0 369.418 -0.547 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424489533 485199563 /nfs/dbraw/zinc/19/95/63/485199563.db2.gz QSBZPVSQYVWCSB-JTQLQIEISA-N -1 0 363.436 -0.856 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424489534 485199482 /nfs/dbraw/zinc/19/94/82/485199482.db2.gz QSBZPVSQYVWCSB-SNVBAGLBSA-N -1 0 363.436 -0.856 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@H]2C2CCC2)CCS1(=O)=O ZINC000424489546 484355573 /nfs/dbraw/zinc/35/55/73/484355573.db2.gz QTIXUMSULSGKBM-SDDRHHMPSA-N -1 0 358.416 -0.751 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@H]2C2CCC2)CCS1(=O)=O ZINC000424489547 484355424 /nfs/dbraw/zinc/35/54/24/484355424.db2.gz QTIXUMSULSGKBM-SRVKXCTJSA-N -1 0 358.416 -0.751 20 0 FBADRM CN1CC[C@@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1=O ZINC000424489629 485199608 /nfs/dbraw/zinc/19/96/08/485199608.db2.gz RGDUSEDUUOCWCL-BWACUDIHSA-N -1 0 351.403 -0.316 20 0 FBADRM CN1CC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1=O ZINC000424489630 485198970 /nfs/dbraw/zinc/19/89/70/485198970.db2.gz RGDUSEDUUOCWCL-NVGCLXPQSA-N -1 0 351.403 -0.316 20 0 FBADRM Cc1ccsc1CCNC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424489929 484355503 /nfs/dbraw/zinc/35/55/03/484355503.db2.gz SLQGCDIEXOESBU-LLVKDONJSA-N -1 0 374.440 -0.575 20 0 FBADRM Cc1ccsc1CCNC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424489930 484355409 /nfs/dbraw/zinc/35/54/09/484355409.db2.gz SLQGCDIEXOESBU-NSHDSACASA-N -1 0 374.440 -0.575 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC2(C3CCC3)CCC2)CCS1(=O)=O ZINC000424489938 484355362 /nfs/dbraw/zinc/35/53/62/484355362.db2.gz SPGSANWJBZBEOK-GFCCVEGCSA-N -1 0 372.443 -0.217 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC2(C3CCC3)CCC2)CCS1(=O)=O ZINC000424489939 484355562 /nfs/dbraw/zinc/35/55/62/484355562.db2.gz SPGSANWJBZBEOK-LBPRGKRZSA-N -1 0 372.443 -0.217 20 0 FBADRM CNC(=O)CCOC1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000424489979 485200214 /nfs/dbraw/zinc/20/02/14/485200214.db2.gz STIUQZZXAHRTKH-UHFFFAOYSA-N -1 0 371.434 -0.253 20 0 FBADRM C[C@@H]1CCC[C@H](CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)[C@@H]1C ZINC000424490156 484355514 /nfs/dbraw/zinc/35/55/14/484355514.db2.gz UNJUIHPJLQSCAP-FDYHWXHSSA-N -1 0 374.459 -0.115 20 0 FBADRM C[C@@H]1CCC[C@H](CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)[C@@H]1C ZINC000424490157 484355582 /nfs/dbraw/zinc/35/55/82/484355582.db2.gz UNJUIHPJLQSCAP-LPWJVIDDSA-N -1 0 374.459 -0.115 20 0 FBADRM C[C@@H]1CCC[C@H](CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)[C@H]1C ZINC000424490158 484355043 /nfs/dbraw/zinc/35/50/43/484355043.db2.gz UNJUIHPJLQSCAP-XQHKEYJVSA-N -1 0 374.459 -0.115 20 0 FBADRM C[C@@H]1CCC[C@H](CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)[C@H]1C ZINC000424490159 484355324 /nfs/dbraw/zinc/35/53/24/484355324.db2.gz UNJUIHPJLQSCAP-YVECIDJPSA-N -1 0 374.459 -0.115 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)NCC1(N2CCOCC2)CC1)C(=O)[O-] ZINC000424490172 485200075 /nfs/dbraw/zinc/20/00/75/485200075.db2.gz UOMUNSCWVMUGLJ-UHFFFAOYSA-N -1 0 355.435 -0.025 20 0 FBADRM CC(C)(CCNC(=O)C(=O)NCCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC000424490422 485200766 /nfs/dbraw/zinc/20/07/66/485200766.db2.gz VQVZKLAFDIHCFD-UHFFFAOYSA-N -1 0 350.437 -0.067 20 0 FBADRM CSC1(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCC1 ZINC000424490465 485200321 /nfs/dbraw/zinc/20/03/21/485200321.db2.gz VWKXGDHEQWSEHL-SECBINFHSA-N -1 0 364.445 -0.902 20 0 FBADRM CSC1(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCC1 ZINC000424490466 485200208 /nfs/dbraw/zinc/20/02/08/485200208.db2.gz VWKXGDHEQWSEHL-VIFPVBQESA-N -1 0 364.445 -0.902 20 0 FBADRM CCS(=O)(=O)N1CC(CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424490487 485200558 /nfs/dbraw/zinc/20/05/58/485200558.db2.gz VYIDURSYGQGXDS-UHFFFAOYSA-N -1 0 363.436 -0.999 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[C@H]2C2CC2)CCS1(=O)=O ZINC000424490883 484355556 /nfs/dbraw/zinc/35/55/56/484355556.db2.gz WMKSEBJEMPCCCT-AVGNSLFASA-N -1 0 372.443 -0.361 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[C@H]2C2CC2)CCS1(=O)=O ZINC000424490886 484354986 /nfs/dbraw/zinc/35/49/86/484354986.db2.gz WMKSEBJEMPCCCT-RWMBFGLXSA-N -1 0 372.443 -0.361 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[C@@H]2C2CC2)CCS1(=O)=O ZINC000424490887 484355358 /nfs/dbraw/zinc/35/53/58/484355358.db2.gz WMKSEBJEMPCCCT-XQQFMLRXSA-N -1 0 372.443 -0.361 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[C@@H]2C2CC2)CCS1(=O)=O ZINC000424490888 484355531 /nfs/dbraw/zinc/35/55/31/484355531.db2.gz WMKSEBJEMPCCCT-YNEHKIRRSA-N -1 0 372.443 -0.361 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)NCC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC000424491039 485200317 /nfs/dbraw/zinc/20/03/17/485200317.db2.gz WVVIPROMAYRCJO-UHFFFAOYSA-N -1 0 362.448 -0.065 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC1=O ZINC000424491047 485200339 /nfs/dbraw/zinc/20/03/39/485200339.db2.gz WXHRWMLHFYLLIH-UHFFFAOYSA-N -1 0 357.407 -0.689 20 0 FBADRM CCNC(=O)N1CC[C@@H](NC(=O)C(=O)NCC(CC)(CC)C(=O)[O-])C1 ZINC000424491204 485200394 /nfs/dbraw/zinc/20/03/94/485200394.db2.gz XFCLLOUDTHOUDH-LLVKDONJSA-N -1 0 356.423 -0.086 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)C(=O)NCC(CC)(CC)C(=O)[O-])C1 ZINC000424491205 485200648 /nfs/dbraw/zinc/20/06/48/485200648.db2.gz XFCLLOUDTHOUDH-NSHDSACASA-N -1 0 356.423 -0.086 20 0 FBADRM CC(C)CSCCNC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424491379 485199371 /nfs/dbraw/zinc/19/93/71/485199371.db2.gz XORDXIRJXIOIBN-JTQLQIEISA-N -1 0 366.461 -0.798 20 0 FBADRM CC(C)CSCCNC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424491380 485198838 /nfs/dbraw/zinc/19/88/38/485198838.db2.gz XORDXIRJXIOIBN-SNVBAGLBSA-N -1 0 366.461 -0.798 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)NCc1nnnn1CC1CC1)C(=O)[O-] ZINC000424491393 485200044 /nfs/dbraw/zinc/20/00/44/485200044.db2.gz XTACOIUPSNAEEM-UHFFFAOYSA-N -1 0 352.395 -0.294 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2F)CCS1(=O)=O ZINC000424491436 484355335 /nfs/dbraw/zinc/35/53/35/484355335.db2.gz YBPAHSWOHAEWEI-BBBLOLIVSA-N -1 0 350.368 -0.907 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2F)CCS1(=O)=O ZINC000424491437 484355063 /nfs/dbraw/zinc/35/50/63/484355063.db2.gz YBPAHSWOHAEWEI-OPRDCNLKSA-N -1 0 350.368 -0.907 20 0 FBADRM CC[C@]1(C(C)C)C[C@H]1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424491662 484355418 /nfs/dbraw/zinc/35/54/18/484355418.db2.gz YNGASQXQCSTGJR-FIXISWKDSA-N -1 0 360.432 -0.363 20 0 FBADRM CC[C@]1(C(C)C)C[C@@H]1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424491665 484355601 /nfs/dbraw/zinc/35/56/01/484355601.db2.gz YNGASQXQCSTGJR-JRPNMDOOSA-N -1 0 360.432 -0.363 20 0 FBADRM CC[C@]1(C(C)C)C[C@H]1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424491668 484355254 /nfs/dbraw/zinc/35/52/54/484355254.db2.gz YNGASQXQCSTGJR-UEKVPHQBSA-N -1 0 360.432 -0.363 20 0 FBADRM CC[C@]1(C(C)C)C[C@@H]1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424491672 484355159 /nfs/dbraw/zinc/35/51/59/484355159.db2.gz YNGASQXQCSTGJR-ZIBATOQPSA-N -1 0 360.432 -0.363 20 0 FBADRM Cn1nc2c(cc1=O)CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC2 ZINC000424491942 485202047 /nfs/dbraw/zinc/20/20/47/485202047.db2.gz ZDUFCZBIRCGOAB-UHFFFAOYSA-N -1 0 350.375 -0.718 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)CCS1(=O)=O ZINC000424491991 484355398 /nfs/dbraw/zinc/35/53/98/484355398.db2.gz ZNZRQAHTFNHNTA-XQQFMLRXSA-N -1 0 372.443 -0.218 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)CCS1(=O)=O ZINC000424491992 484355141 /nfs/dbraw/zinc/35/51/41/484355141.db2.gz ZNZRQAHTFNHNTA-YNEHKIRRSA-N -1 0 372.443 -0.218 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCCNC(=O)c1ccn[nH]1)C(=O)[O-] ZINC000424492128 485201302 /nfs/dbraw/zinc/20/13/02/485201302.db2.gz ZQTAJJNVZZQSPV-JTQLQIEISA-N -1 0 353.379 -0.881 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCCNC(=O)c1ccn[nH]1)C(=O)[O-] ZINC000424492129 485201914 /nfs/dbraw/zinc/20/19/14/485201914.db2.gz ZQTAJJNVZZQSPV-SNVBAGLBSA-N -1 0 353.379 -0.881 20 0 FBADRM Cc1ccc(CCNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1 ZINC000424492533 484355122 /nfs/dbraw/zinc/35/51/22/484355122.db2.gz BNERDQDQQYZFHF-CYBMUJFWSA-N -1 0 368.411 -0.636 20 0 FBADRM Cc1ccc(CCNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1 ZINC000424492536 484355298 /nfs/dbraw/zinc/35/52/98/484355298.db2.gz BNERDQDQQYZFHF-ZDUSSCGKSA-N -1 0 368.411 -0.636 20 0 FBADRM CSCCCCCNC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424493001 485200309 /nfs/dbraw/zinc/20/03/09/485200309.db2.gz BUAYQBKKAHZHRE-JTQLQIEISA-N -1 0 366.461 -0.654 20 0 FBADRM CSCCCCCNC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424493002 485200197 /nfs/dbraw/zinc/20/01/97/485200197.db2.gz BUAYQBKKAHZHRE-SNVBAGLBSA-N -1 0 366.461 -0.654 20 0 FBADRM CC[C@@H](NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000424493079 485200333 /nfs/dbraw/zinc/20/03/33/485200333.db2.gz CDBHZCQOUHDTAH-CHWSQXEVSA-N -1 0 371.434 -0.397 20 0 FBADRM CC[C@H](NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000424493082 485200350 /nfs/dbraw/zinc/20/03/50/485200350.db2.gz CDBHZCQOUHDTAH-OLZOCXBDSA-N -1 0 371.434 -0.397 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC1=O ZINC000424493196 485200421 /nfs/dbraw/zinc/20/04/21/485200421.db2.gz NPUCVZXUBBQEJC-CYBMUJFWSA-N -1 0 371.434 -0.443 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC1=O ZINC000424493197 485200315 /nfs/dbraw/zinc/20/03/15/485200315.db2.gz NPUCVZXUBBQEJC-ZDUSSCGKSA-N -1 0 371.434 -0.443 20 0 FBADRM CC[C@@H](NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000424493308 485200413 /nfs/dbraw/zinc/20/04/13/485200413.db2.gz CDBHZCQOUHDTAH-QWHCGFSZSA-N -1 0 371.434 -0.397 20 0 FBADRM CC[C@H](NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000424493310 485200281 /nfs/dbraw/zinc/20/02/81/485200281.db2.gz CDBHZCQOUHDTAH-STQMWFEESA-N -1 0 371.434 -0.397 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC2CCC3(CC3)CC2)CCS1(=O)=O ZINC000424493442 484355597 /nfs/dbraw/zinc/35/55/97/484355597.db2.gz CPFOGNMXWBQCJD-LLVKDONJSA-N -1 0 358.416 -0.464 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC2CCC3(CC3)CC2)CCS1(=O)=O ZINC000424493445 484355442 /nfs/dbraw/zinc/35/54/42/484355442.db2.gz CPFOGNMXWBQCJD-NSHDSACASA-N -1 0 358.416 -0.464 20 0 FBADRM CC[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424494545 484355225 /nfs/dbraw/zinc/35/52/25/484355225.db2.gz FBBJNXJLEQMNEO-GRYCIOLGSA-N -1 0 360.432 -0.218 20 0 FBADRM CC[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424494547 484355568 /nfs/dbraw/zinc/35/55/68/484355568.db2.gz FBBJNXJLEQMNEO-IJLUTSLNSA-N -1 0 360.432 -0.218 20 0 FBADRM CC[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424494549 484355269 /nfs/dbraw/zinc/35/52/69/484355269.db2.gz FBBJNXJLEQMNEO-UTUOFQBUSA-N -1 0 360.432 -0.218 20 0 FBADRM CC[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424494552 484355432 /nfs/dbraw/zinc/35/54/32/484355432.db2.gz FBBJNXJLEQMNEO-WOPDTQHZSA-N -1 0 360.432 -0.218 20 0 FBADRM C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)[C@@H](C)C1 ZINC000424495043 484355205 /nfs/dbraw/zinc/35/52/05/484355205.db2.gz FTFGWBHFMMZACO-NOOOWODRSA-N -1 0 360.432 -0.363 20 0 FBADRM C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)[C@@H](C)C1 ZINC000424495044 484355103 /nfs/dbraw/zinc/35/51/03/484355103.db2.gz FTFGWBHFMMZACO-RHYQMDGZSA-N -1 0 360.432 -0.363 20 0 FBADRM C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)[C@H](C)C1 ZINC000424495045 484355467 /nfs/dbraw/zinc/35/54/67/484355467.db2.gz FTFGWBHFMMZACO-WISYIIOYSA-N -1 0 360.432 -0.363 20 0 FBADRM C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)[C@H](C)C1 ZINC000424495046 484355527 /nfs/dbraw/zinc/35/55/27/484355527.db2.gz FTFGWBHFMMZACO-WYUUTHIRSA-N -1 0 360.432 -0.363 20 0 FBADRM CC1(C)CCC[C@@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424495278 484355282 /nfs/dbraw/zinc/35/52/82/484355282.db2.gz FZOJLQLCFXQVQT-GHMZBOCLSA-N -1 0 360.432 -0.218 20 0 FBADRM CC1(C)CCC[C@@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424495279 484355097 /nfs/dbraw/zinc/35/50/97/484355097.db2.gz FZOJLQLCFXQVQT-MNOVXSKESA-N -1 0 360.432 -0.218 20 0 FBADRM CC1(C)CCC[C@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424495280 484354963 /nfs/dbraw/zinc/35/49/63/484354963.db2.gz FZOJLQLCFXQVQT-QWRGUYRKSA-N -1 0 360.432 -0.218 20 0 FBADRM CC1(C)CCC[C@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424495281 484355346 /nfs/dbraw/zinc/35/53/46/484355346.db2.gz FZOJLQLCFXQVQT-WDEREUQCSA-N -1 0 360.432 -0.218 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCC(NC(=O)NC)CC1)C(=O)[O-] ZINC000424496140 485202611 /nfs/dbraw/zinc/20/26/11/485202611.db2.gz SMNNLSDFCAGHLV-UHFFFAOYSA-N -1 0 356.423 -0.086 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000424496304 485203147 /nfs/dbraw/zinc/20/31/47/485203147.db2.gz SSSDRXSEVCUHMD-UHFFFAOYSA-N -1 0 363.436 -0.903 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC(F)(F)C2)CCS1(=O)=O ZINC000424496366 484355588 /nfs/dbraw/zinc/35/55/88/484355588.db2.gz HBUCHZWWDXQEBY-BDAKNGLRSA-N -1 0 368.358 -0.752 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC(F)(F)C2)CCS1(=O)=O ZINC000424496368 484355032 /nfs/dbraw/zinc/35/50/32/484355032.db2.gz HBUCHZWWDXQEBY-DTWKUNHWSA-N -1 0 368.358 -0.752 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC(F)(F)C2)CCS1(=O)=O ZINC000424496370 484354935 /nfs/dbraw/zinc/35/49/35/484354935.db2.gz HBUCHZWWDXQEBY-IUCAKERBSA-N -1 0 368.358 -0.752 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC(F)(F)C2)CCS1(=O)=O ZINC000424496371 484355056 /nfs/dbraw/zinc/35/50/56/484355056.db2.gz HBUCHZWWDXQEBY-RKDXNWHRSA-N -1 0 368.358 -0.752 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000424496408 485203165 /nfs/dbraw/zinc/20/31/65/485203165.db2.gz SYUOWZKTYFGJJX-CYBMUJFWSA-N -1 0 363.418 -0.012 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000424496410 485203334 /nfs/dbraw/zinc/20/33/34/485203334.db2.gz SYUOWZKTYFGJJX-ZDUSSCGKSA-N -1 0 363.418 -0.012 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCc1cnc(N(C)C)n1C)C(=O)[O-] ZINC000424496555 485203207 /nfs/dbraw/zinc/20/32/07/485203207.db2.gz HMODQKXNHPPXSW-LLVKDONJSA-N -1 0 353.423 -0.035 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCc1cnc(N(C)C)n1C)C(=O)[O-] ZINC000424496559 485203005 /nfs/dbraw/zinc/20/30/05/485203005.db2.gz HMODQKXNHPPXSW-NSHDSACASA-N -1 0 353.423 -0.035 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)[O-] ZINC000424496852 485202895 /nfs/dbraw/zinc/20/28/95/485202895.db2.gz HPZGMCNFRRVEJQ-MRVPVSSYSA-N -1 0 367.324 -0.117 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)C(=O)[O-] ZINC000424496854 485202902 /nfs/dbraw/zinc/20/29/02/485202902.db2.gz HPZGMCNFRRVEJQ-QMMMGPOBSA-N -1 0 367.324 -0.117 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1)C(=O)[O-] ZINC000424496933 485202672 /nfs/dbraw/zinc/20/26/72/485202672.db2.gz UKQCPXJQWKTJNQ-UHFFFAOYSA-N -1 0 370.450 -0.598 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)NCCCN1C(=O)CCC1=O)C(=O)[O-] ZINC000424497325 485203105 /nfs/dbraw/zinc/20/31/05/485203105.db2.gz UZDAGQSROLOVGF-UHFFFAOYSA-N -1 0 355.391 -0.351 20 0 FBADRM C[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1 ZINC000424497336 484354910 /nfs/dbraw/zinc/35/49/10/484354910.db2.gz IJGLJUTXDZKFCR-GRYCIOLGSA-N -1 0 360.432 -0.218 20 0 FBADRM C[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1 ZINC000424497338 484355405 /nfs/dbraw/zinc/35/54/05/484355405.db2.gz IJGLJUTXDZKFCR-IJLUTSLNSA-N -1 0 360.432 -0.218 20 0 FBADRM C[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1 ZINC000424497341 484355499 /nfs/dbraw/zinc/35/54/99/484355499.db2.gz IJGLJUTXDZKFCR-UTUOFQBUSA-N -1 0 360.432 -0.218 20 0 FBADRM C[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1 ZINC000424497344 484355079 /nfs/dbraw/zinc/35/50/79/484355079.db2.gz IJGLJUTXDZKFCR-WOPDTQHZSA-N -1 0 360.432 -0.218 20 0 FBADRM COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424497370 485203326 /nfs/dbraw/zinc/20/33/26/485203326.db2.gz IKPJNXYZFUJBDZ-NEPJUHHUSA-N -1 0 360.407 -0.460 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424497371 485203156 /nfs/dbraw/zinc/20/31/56/485203156.db2.gz IKPJNXYZFUJBDZ-NWDGAFQWSA-N -1 0 360.407 -0.460 20 0 FBADRM COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424497373 485203283 /nfs/dbraw/zinc/20/32/83/485203283.db2.gz IKPJNXYZFUJBDZ-RYUDHWBXSA-N -1 0 360.407 -0.460 20 0 FBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424497374 485203093 /nfs/dbraw/zinc/20/30/93/485203093.db2.gz IKPJNXYZFUJBDZ-VXGBXAGGSA-N -1 0 360.407 -0.460 20 0 FBADRM COC(=O)C[C@H]1CN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CCO1 ZINC000424497421 485202626 /nfs/dbraw/zinc/20/26/26/485202626.db2.gz VFFBDIGPBNSUDL-NEPJUHHUSA-N -1 0 358.391 -0.360 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CCO1 ZINC000424497422 485202542 /nfs/dbraw/zinc/20/25/42/485202542.db2.gz VFFBDIGPBNSUDL-NWDGAFQWSA-N -1 0 358.391 -0.360 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])C2=O)cn1 ZINC000424497549 485203391 /nfs/dbraw/zinc/20/33/91/485203391.db2.gz IOPSCXLQKULEBP-LLVKDONJSA-N -1 0 365.390 -0.741 20 0 FBADRM COC(=O)C[C@H]1CN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CCO1 ZINC000424497550 485202641 /nfs/dbraw/zinc/20/26/41/485202641.db2.gz VFFBDIGPBNSUDL-RYUDHWBXSA-N -1 0 358.391 -0.360 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])C2=O)cn1 ZINC000424497551 485202681 /nfs/dbraw/zinc/20/26/81/485202681.db2.gz IOPSCXLQKULEBP-NSHDSACASA-N -1 0 365.390 -0.741 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CCO1 ZINC000424497552 485203372 /nfs/dbraw/zinc/20/33/72/485203372.db2.gz VFFBDIGPBNSUDL-VXGBXAGGSA-N -1 0 358.391 -0.360 20 0 FBADRM CCSCC[C@@H](C)NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424497609 485202999 /nfs/dbraw/zinc/20/29/99/485202999.db2.gz ISFYXAHSIWLGDA-NXEZZACHSA-N -1 0 366.461 -0.656 20 0 FBADRM CCSCC[C@H](C)NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424497613 485203225 /nfs/dbraw/zinc/20/32/25/485203225.db2.gz ISFYXAHSIWLGDA-UWVGGRQHSA-N -1 0 366.461 -0.656 20 0 FBADRM CCSCC[C@H](C)NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424497615 485203218 /nfs/dbraw/zinc/20/32/18/485203218.db2.gz ISFYXAHSIWLGDA-VHSXEESVSA-N -1 0 366.461 -0.656 20 0 FBADRM CCSCC[C@@H](C)NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424497616 485203265 /nfs/dbraw/zinc/20/32/65/485203265.db2.gz ISFYXAHSIWLGDA-ZJUUUORDSA-N -1 0 366.461 -0.656 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCC([C@@H](O)C(=O)OC)CC1)C(=O)[O-] ZINC000424497625 485202775 /nfs/dbraw/zinc/20/27/75/485202775.db2.gz VKBRWMUNEFBRPG-GFCCVEGCSA-N -1 0 372.418 -0.234 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCC([C@H](O)C(=O)OC)CC1)C(=O)[O-] ZINC000424497627 485203359 /nfs/dbraw/zinc/20/33/59/485203359.db2.gz VKBRWMUNEFBRPG-LBPRGKRZSA-N -1 0 372.418 -0.234 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)C(=O)[O-] ZINC000424497662 485203383 /nfs/dbraw/zinc/20/33/83/485203383.db2.gz IUTQQFAHPZSZIM-FDYHWXHSSA-N -1 0 353.419 -0.025 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)C(=O)[O-] ZINC000424497664 485202701 /nfs/dbraw/zinc/20/27/01/485202701.db2.gz IUTQQFAHPZSZIM-LOWDOPEQSA-N -1 0 353.419 -0.025 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)C(=O)[O-] ZINC000424497666 485202633 /nfs/dbraw/zinc/20/26/33/485202633.db2.gz IUTQQFAHPZSZIM-LPWJVIDDSA-N -1 0 353.419 -0.025 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)C(=O)[O-] ZINC000424497668 485203119 /nfs/dbraw/zinc/20/31/19/485203119.db2.gz IUTQQFAHPZSZIM-UMSGYPCISA-N -1 0 353.419 -0.025 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)OC)C1)C(=O)[O-] ZINC000424497868 485203125 /nfs/dbraw/zinc/20/31/25/485203125.db2.gz WCAWADINOHSHHG-GHMZBOCLSA-N -1 0 358.391 -0.218 20 0 FBADRM C[C@]1(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCCS1 ZINC000424497969 484354999 /nfs/dbraw/zinc/35/49/99/484354999.db2.gz IZLLYNJGSJPLRZ-NOZJJQNGSA-N -1 0 364.445 -0.902 20 0 FBADRM C[C@@]1(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCCS1 ZINC000424497970 484355152 /nfs/dbraw/zinc/35/51/52/484355152.db2.gz IZLLYNJGSJPLRZ-RNCFNFMXSA-N -1 0 364.445 -0.902 20 0 FBADRM C[C@]1(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCCS1 ZINC000424497973 484355279 /nfs/dbraw/zinc/35/52/79/484355279.db2.gz IZLLYNJGSJPLRZ-TVQRCGJNSA-N -1 0 364.445 -0.902 20 0 FBADRM C[C@@]1(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCCS1 ZINC000424497975 484355114 /nfs/dbraw/zinc/35/51/14/484355114.db2.gz IZLLYNJGSJPLRZ-ZANVPECISA-N -1 0 364.445 -0.902 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)C(=O)[O-] ZINC000424498190 485202559 /nfs/dbraw/zinc/20/25/59/485202559.db2.gz WOQQWOFYFVZGQS-AAEUAGOBSA-N -1 0 368.434 -0.088 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)C(=O)[O-] ZINC000424498192 485203277 /nfs/dbraw/zinc/20/32/77/485203277.db2.gz WOQQWOFYFVZGQS-DGCLKSJQSA-N -1 0 368.434 -0.088 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)C(=O)[O-] ZINC000424498195 485202812 /nfs/dbraw/zinc/20/28/12/485202812.db2.gz WOQQWOFYFVZGQS-WCQYABFASA-N -1 0 368.434 -0.088 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)C(=O)[O-] ZINC000424498197 485202947 /nfs/dbraw/zinc/20/29/47/485202947.db2.gz WOQQWOFYFVZGQS-YPMHNXCESA-N -1 0 368.434 -0.088 20 0 FBADRM CC1(C)CCCC[C@H]1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424498614 484355489 /nfs/dbraw/zinc/35/54/89/484355489.db2.gz JNQNVEUZQUNWTF-GHMZBOCLSA-N -1 0 360.432 -0.218 20 0 FBADRM CC1(C)CCCC[C@@H]1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424498616 484354971 /nfs/dbraw/zinc/35/49/71/484354971.db2.gz JNQNVEUZQUNWTF-MNOVXSKESA-N -1 0 360.432 -0.218 20 0 FBADRM CC1(C)CCCC[C@@H]1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424498618 484355511 /nfs/dbraw/zinc/35/55/11/484355511.db2.gz JNQNVEUZQUNWTF-QWRGUYRKSA-N -1 0 360.432 -0.218 20 0 FBADRM CC1(C)CCCC[C@H]1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424498620 484355477 /nfs/dbraw/zinc/35/54/77/484355477.db2.gz JNQNVEUZQUNWTF-WDEREUQCSA-N -1 0 360.432 -0.218 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1)C(=O)[O-] ZINC000424498652 485203152 /nfs/dbraw/zinc/20/31/52/485203152.db2.gz XGOFVJXYRHZLHU-GFCCVEGCSA-N -1 0 370.450 -0.742 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1)C(=O)[O-] ZINC000424498654 485203345 /nfs/dbraw/zinc/20/33/45/485203345.db2.gz XGOFVJXYRHZLHU-LBPRGKRZSA-N -1 0 370.450 -0.742 20 0 FBADRM CC1(C)CCC(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1 ZINC000424499099 484355308 /nfs/dbraw/zinc/35/53/08/484355308.db2.gz KDPLBVKLSKLOIA-LLVKDONJSA-N -1 0 360.432 -0.218 20 0 FBADRM CC1(C)CCC(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1 ZINC000424499101 484355437 /nfs/dbraw/zinc/35/54/37/484355437.db2.gz KDPLBVKLSKLOIA-NSHDSACASA-N -1 0 360.432 -0.218 20 0 FBADRM CNC(=O)NC1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000424499462 485202618 /nfs/dbraw/zinc/20/26/18/485202618.db2.gz YIQAVWUWKLVJRQ-LLVKDONJSA-N -1 0 356.423 -0.231 20 0 FBADRM CNC(=O)NC1CCN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC1 ZINC000424499465 485204041 /nfs/dbraw/zinc/20/40/41/485204041.db2.gz YIQAVWUWKLVJRQ-NSHDSACASA-N -1 0 356.423 -0.231 20 0 FBADRM COC(=O)[C@H](O)C1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000424499917 485204049 /nfs/dbraw/zinc/20/40/49/485204049.db2.gz ZFGJRTLLKJHXDC-CHWSQXEVSA-N -1 0 372.418 -0.378 20 0 FBADRM COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000424499918 485204385 /nfs/dbraw/zinc/20/43/85/485204385.db2.gz ZFGJRTLLKJHXDC-OLZOCXBDSA-N -1 0 372.418 -0.378 20 0 FBADRM COC(=O)[C@H](O)C1CCN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC1 ZINC000424499919 485203890 /nfs/dbraw/zinc/20/38/90/485203890.db2.gz ZFGJRTLLKJHXDC-QWHCGFSZSA-N -1 0 372.418 -0.378 20 0 FBADRM COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC1 ZINC000424499920 485203827 /nfs/dbraw/zinc/20/38/27/485203827.db2.gz ZFGJRTLLKJHXDC-STQMWFEESA-N -1 0 372.418 -0.378 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCc2n[nH]c(=O)cc2C1)C(=O)[O-] ZINC000424500019 485203913 /nfs/dbraw/zinc/20/39/13/485203913.db2.gz ZLXONJYCPRWDAV-JTQLQIEISA-N -1 0 350.375 -0.070 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCc2n[nH]c(=O)cc2C1)C(=O)[O-] ZINC000424500021 485204606 /nfs/dbraw/zinc/20/46/06/485204606.db2.gz ZLXONJYCPRWDAV-SNVBAGLBSA-N -1 0 350.375 -0.070 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1)C(=O)[O-] ZINC000424500076 485204592 /nfs/dbraw/zinc/20/45/92/485204592.db2.gz ZSHXPVUOBLXOSC-CYBMUJFWSA-N -1 0 365.434 -0.068 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1)C(=O)[O-] ZINC000424500078 485204188 /nfs/dbraw/zinc/20/41/88/485204188.db2.gz ZSHXPVUOBLXOSC-ZDUSSCGKSA-N -1 0 365.434 -0.068 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCCN(CCOC)C(=O)C1)C(=O)[O-] ZINC000424500116 485204627 /nfs/dbraw/zinc/20/46/27/485204627.db2.gz ZTXPKXBLVNPZDC-UHFFFAOYSA-N -1 0 371.434 -0.299 20 0 FBADRM CC(C)CCN(C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C1CC1 ZINC000424500451 484355018 /nfs/dbraw/zinc/35/50/18/484355018.db2.gz CRDPXKPRCJWJIK-GFCCVEGCSA-N -1 0 360.432 -0.266 20 0 FBADRM CC(C)CCN(C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C1CC1 ZINC000424500454 484355260 /nfs/dbraw/zinc/35/52/60/484355260.db2.gz CRDPXKPRCJWJIK-LBPRGKRZSA-N -1 0 360.432 -0.266 20 0 FBADRM CC1(C)CN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC(C)(C)C1 ZINC000424500628 484355219 /nfs/dbraw/zinc/35/52/19/484355219.db2.gz CXQRSFVRRMTFEI-LLVKDONJSA-N -1 0 374.459 -0.019 20 0 FBADRM CC1(C)CN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC(C)(C)C1 ZINC000424500630 484354922 /nfs/dbraw/zinc/35/49/22/484354922.db2.gz CXQRSFVRRMTFEI-NSHDSACASA-N -1 0 374.459 -0.019 20 0 FBADRM CCC[C@@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424500652 484355167 /nfs/dbraw/zinc/35/51/67/484355167.db2.gz CZLYPDSNYUFYOA-NEPJUHHUSA-N -1 0 360.432 -0.265 20 0 FBADRM CCC[C@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424500654 484355037 /nfs/dbraw/zinc/35/50/37/484355037.db2.gz CZLYPDSNYUFYOA-NWDGAFQWSA-N -1 0 360.432 -0.265 20 0 FBADRM CCC[C@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424500656 484355521 /nfs/dbraw/zinc/35/55/21/484355521.db2.gz CZLYPDSNYUFYOA-RYUDHWBXSA-N -1 0 360.432 -0.265 20 0 FBADRM CCC[C@@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424500658 484355383 /nfs/dbraw/zinc/35/53/83/484355383.db2.gz CZLYPDSNYUFYOA-VXGBXAGGSA-N -1 0 360.432 -0.265 20 0 FBADRM CC(C)(C)C1=CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1 ZINC000424500731 484355008 /nfs/dbraw/zinc/35/50/08/484355008.db2.gz DELZHASMIVLHLG-GFCCVEGCSA-N -1 0 372.443 -0.099 20 0 FBADRM CC(C)(C)C1=CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1 ZINC000424500732 484355483 /nfs/dbraw/zinc/35/54/83/484355483.db2.gz DELZHASMIVLHLG-LBPRGKRZSA-N -1 0 372.443 -0.099 20 0 FBADRM Cc1ccncc1CN(C)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424500952 484355593 /nfs/dbraw/zinc/35/55/93/484355593.db2.gz DHMUUDQAVBMZDX-GFCCVEGCSA-N -1 0 369.399 -0.941 20 0 FBADRM Cc1ccncc1CN(C)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424500953 484355391 /nfs/dbraw/zinc/35/53/91/484355391.db2.gz DHMUUDQAVBMZDX-LBPRGKRZSA-N -1 0 369.399 -0.941 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)C(=O)NCC(CC)(CC)C(=O)[O-])CC1 ZINC000424500980 485204394 /nfs/dbraw/zinc/20/43/94/485204394.db2.gz DKPJYAMRGUAMMD-UHFFFAOYSA-N -1 0 370.450 -0.726 20 0 FBADRM CN(Cc1cccs1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424501381 484355199 /nfs/dbraw/zinc/35/51/99/484355199.db2.gz FDFIOFWMMNHMAL-JTQLQIEISA-N -1 0 360.413 -0.583 20 0 FBADRM CN(Cc1cccs1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424501383 484355585 /nfs/dbraw/zinc/35/55/85/484355585.db2.gz FDFIOFWMMNHMAL-SNVBAGLBSA-N -1 0 360.413 -0.583 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N(CC2CC2)C2CCC2)CCS1(=O)=O ZINC000424501385 484355247 /nfs/dbraw/zinc/35/52/47/484355247.db2.gz FDGFFDHVJNGVPR-GFCCVEGCSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N(CC2CC2)C2CCC2)CCS1(=O)=O ZINC000424501387 484355536 /nfs/dbraw/zinc/35/55/36/484355536.db2.gz FDGFFDHVJNGVPR-LBPRGKRZSA-N -1 0 358.416 -0.512 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)NCc1ccc(C(N)=O)nc1)C(=O)[O-] ZINC000424501662 485205206 /nfs/dbraw/zinc/20/52/06/485205206.db2.gz FQFLVBROVKVWAV-UHFFFAOYSA-N -1 0 350.375 -0.196 20 0 FBADRM C[C@@H](c1cccs1)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424501700 484355473 /nfs/dbraw/zinc/35/54/73/484355473.db2.gz FUVKVZRFAICYSI-GXSJLCMTSA-N -1 0 374.440 -0.022 20 0 FBADRM C[C@H](c1cccs1)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424501701 484354878 /nfs/dbraw/zinc/35/48/78/484354878.db2.gz FUVKVZRFAICYSI-KOLCDFICSA-N -1 0 374.440 -0.022 20 0 FBADRM C[C@H](c1cccs1)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424501702 484355493 /nfs/dbraw/zinc/35/54/93/484355493.db2.gz FUVKVZRFAICYSI-MWLCHTKSSA-N -1 0 374.440 -0.022 20 0 FBADRM C[C@@H](c1cccs1)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424501703 484355349 /nfs/dbraw/zinc/35/53/49/484355349.db2.gz FUVKVZRFAICYSI-ONGXEEELSA-N -1 0 374.440 -0.022 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC23CCC(CC2)C3)CCS1(=O)=O ZINC000424502262 484355131 /nfs/dbraw/zinc/35/51/31/484355131.db2.gz NNALKQYSHMGPFK-LOIXOFCESA-N -1 0 358.416 -0.607 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC23CCC(CC2)C3)CCS1(=O)=O ZINC000424502264 484356235 /nfs/dbraw/zinc/35/62/35/484356235.db2.gz NNALKQYSHMGPFK-VTWZXRTESA-N -1 0 358.416 -0.607 20 0 FBADRM CN(Cc1ccccc1F)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424502437 484356443 /nfs/dbraw/zinc/35/64/43/484356443.db2.gz GPMKIWHNXJUEHH-GFCCVEGCSA-N -1 0 372.374 -0.506 20 0 FBADRM CN(Cc1ccccc1F)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424502438 484356220 /nfs/dbraw/zinc/35/62/20/484356220.db2.gz GPMKIWHNXJUEHH-LBPRGKRZSA-N -1 0 372.374 -0.506 20 0 FBADRM CN(CCC(F)(F)F)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424502471 484356707 /nfs/dbraw/zinc/35/67/07/484356707.db2.gz GTMFVFBTYUEHMX-SSDOTTSWSA-N -1 0 360.310 -0.893 20 0 FBADRM CN(CCC(F)(F)F)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424502472 484356476 /nfs/dbraw/zinc/35/64/76/484356476.db2.gz GTMFVFBTYUEHMX-ZETCQYMHSA-N -1 0 360.310 -0.893 20 0 FBADRM C[C@@H](c1ccccn1)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424503124 484356116 /nfs/dbraw/zinc/35/61/16/484356116.db2.gz HNCCHGUGPUZVCU-CMPLNLGQSA-N -1 0 369.399 -0.689 20 0 FBADRM C[C@@H](c1ccccn1)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424503127 484356669 /nfs/dbraw/zinc/35/66/69/484356669.db2.gz HNCCHGUGPUZVCU-JQWIXIFHSA-N -1 0 369.399 -0.689 20 0 FBADRM C[C@H](c1ccccn1)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424503129 484356534 /nfs/dbraw/zinc/35/65/34/484356534.db2.gz HNCCHGUGPUZVCU-PWSUYJOCSA-N -1 0 369.399 -0.689 20 0 FBADRM C[C@H](c1ccccn1)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424503131 484356373 /nfs/dbraw/zinc/35/63/73/484356373.db2.gz HNCCHGUGPUZVCU-ZYHUDNBSSA-N -1 0 369.399 -0.689 20 0 FBADRM CC[C@@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000424503280 485204914 /nfs/dbraw/zinc/20/49/14/485204914.db2.gz OTUIUWAVQOIKLF-LLVKDONJSA-N -1 0 357.407 -0.643 20 0 FBADRM CC[C@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000424503288 485205616 /nfs/dbraw/zinc/20/56/16/485205616.db2.gz OTUIUWAVQOIKLF-NSHDSACASA-N -1 0 357.407 -0.643 20 0 FBADRM CN(CCc1cccs1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424503568 484355970 /nfs/dbraw/zinc/35/59/70/484355970.db2.gz IGXJRLHXZXUHQF-LLVKDONJSA-N -1 0 374.440 -0.541 20 0 FBADRM CN(CCc1cccs1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424503570 484356158 /nfs/dbraw/zinc/35/61/58/484356158.db2.gz IGXJRLHXZXUHQF-NSHDSACASA-N -1 0 374.440 -0.541 20 0 FBADRM COCC(C)(C)N1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000424503594 485205536 /nfs/dbraw/zinc/20/55/36/485205536.db2.gz ILDJTTWJXVGRPL-CYBMUJFWSA-N -1 0 355.435 -0.121 20 0 FBADRM COCC(C)(C)N1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000424503595 485204987 /nfs/dbraw/zinc/20/49/87/485204987.db2.gz ILDJTTWJXVGRPL-ZDUSSCGKSA-N -1 0 355.435 -0.121 20 0 FBADRM CN(Cc1ccc(O)cc1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424503634 484356330 /nfs/dbraw/zinc/35/63/30/484356330.db2.gz IOVOIFZIUXOPGZ-GFCCVEGCSA-N -1 0 370.383 -0.939 20 0 FBADRM CN(Cc1ccc(O)cc1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424503636 484356015 /nfs/dbraw/zinc/35/60/15/484356015.db2.gz IOVOIFZIUXOPGZ-LBPRGKRZSA-N -1 0 370.383 -0.939 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N[C@@H](C)CS(=O)(=O)CC)C(=O)[O-] ZINC000424503701 485204921 /nfs/dbraw/zinc/20/49/21/485204921.db2.gz PORIPZDCECCDML-JTQLQIEISA-N -1 0 350.437 -0.067 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N[C@H](C)CS(=O)(=O)CC)C(=O)[O-] ZINC000424503702 485205625 /nfs/dbraw/zinc/20/56/25/485205625.db2.gz PORIPZDCECCDML-SNVBAGLBSA-N -1 0 350.437 -0.067 20 0 FBADRM Cc1ccc(CN(C)C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)s1 ZINC000424503862 484356338 /nfs/dbraw/zinc/35/63/38/484356338.db2.gz ISPNYQCRFILPFR-LLVKDONJSA-N -1 0 374.440 -0.275 20 0 FBADRM Cc1ccc(CN(C)C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)s1 ZINC000424503863 484356512 /nfs/dbraw/zinc/35/65/12/484356512.db2.gz ISPNYQCRFILPFR-NSHDSACASA-N -1 0 374.440 -0.275 20 0 FBADRM CC(C)[C@H](C)N(C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C1CC1 ZINC000424503866 484355946 /nfs/dbraw/zinc/35/59/46/484355946.db2.gz ITHFOUJBHYSODN-CMPLNLGQSA-N -1 0 360.432 -0.268 20 0 FBADRM CC(C)[C@H](C)N(C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C1CC1 ZINC000424503867 484356187 /nfs/dbraw/zinc/35/61/87/484356187.db2.gz ITHFOUJBHYSODN-JQWIXIFHSA-N -1 0 360.432 -0.268 20 0 FBADRM CC(C)[C@@H](C)N(C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C1CC1 ZINC000424503868 484356530 /nfs/dbraw/zinc/35/65/30/484356530.db2.gz ITHFOUJBHYSODN-PWSUYJOCSA-N -1 0 360.432 -0.268 20 0 FBADRM CC(C)[C@@H](C)N(C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C1CC1 ZINC000424503869 484356001 /nfs/dbraw/zinc/35/60/01/484356001.db2.gz ITHFOUJBHYSODN-ZYHUDNBSSA-N -1 0 360.432 -0.268 20 0 FBADRM CC(C)CN(CC(C)C)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424503871 484355960 /nfs/dbraw/zinc/35/59/60/484355960.db2.gz ITYUBXBOJZZQLN-GFCCVEGCSA-N -1 0 362.448 -0.163 20 0 FBADRM CC(C)CN(CC(C)C)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424503872 484356046 /nfs/dbraw/zinc/35/60/46/484356046.db2.gz ITYUBXBOJZZQLN-LBPRGKRZSA-N -1 0 362.448 -0.163 20 0 FBADRM CN(Cc1ccccc1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424503930 484356165 /nfs/dbraw/zinc/35/61/65/484356165.db2.gz JAUYIICAJBTWPE-GFCCVEGCSA-N -1 0 354.384 -0.645 20 0 FBADRM CN(Cc1ccccc1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424503931 484356261 /nfs/dbraw/zinc/35/62/61/484356261.db2.gz JAUYIICAJBTWPE-LBPRGKRZSA-N -1 0 354.384 -0.645 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccco2)CCS1(=O)=O ZINC000424504246 484356487 /nfs/dbraw/zinc/35/64/87/484356487.db2.gz JKCBVLSIXCHUCZ-CMPLNLGQSA-N -1 0 370.383 -0.347 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccco2)CCS1(=O)=O ZINC000424504247 484356318 /nfs/dbraw/zinc/35/63/18/484356318.db2.gz JKCBVLSIXCHUCZ-JQWIXIFHSA-N -1 0 370.383 -0.347 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccco2)CCS1(=O)=O ZINC000424504248 484356394 /nfs/dbraw/zinc/35/63/94/484356394.db2.gz JKCBVLSIXCHUCZ-PWSUYJOCSA-N -1 0 370.383 -0.347 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccco2)CCS1(=O)=O ZINC000424504249 484356508 /nfs/dbraw/zinc/35/65/08/484356508.db2.gz JKCBVLSIXCHUCZ-ZYHUDNBSSA-N -1 0 370.383 -0.347 20 0 FBADRM CC1(C)CCCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424504256 484356090 /nfs/dbraw/zinc/35/60/90/484356090.db2.gz JMCFXVWDOHXYPS-LLVKDONJSA-N -1 0 360.432 -0.265 20 0 FBADRM CC1(C)CCCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424504257 484356501 /nfs/dbraw/zinc/35/65/01/484356501.db2.gz JMCFXVWDOHXYPS-NSHDSACASA-N -1 0 360.432 -0.265 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C(F)(F)F ZINC000424504402 484356598 /nfs/dbraw/zinc/35/65/98/484356598.db2.gz QNMNRDJRFSVHNC-BQBZGAKWSA-N -1 0 360.310 -0.989 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C(F)(F)F ZINC000424504403 484356567 /nfs/dbraw/zinc/35/65/67/484356567.db2.gz QNMNRDJRFSVHNC-NKWVEPMBSA-N -1 0 360.310 -0.989 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C(F)(F)F ZINC000424504404 484356572 /nfs/dbraw/zinc/35/65/72/484356572.db2.gz QNMNRDJRFSVHNC-RNFRBKRXSA-N -1 0 360.310 -0.989 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C(F)(F)F ZINC000424504405 484356344 /nfs/dbraw/zinc/35/63/44/484356344.db2.gz QNMNRDJRFSVHNC-RQJHMYQMSA-N -1 0 360.310 -0.989 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)C(=O)[O-] ZINC000424504460 485205737 /nfs/dbraw/zinc/20/57/37/485205737.db2.gz QWTMXZCMWZIQKG-GFCCVEGCSA-N -1 0 369.418 -0.500 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O)C(=O)[O-] ZINC000424504461 485205047 /nfs/dbraw/zinc/20/50/47/485205047.db2.gz QWTMXZCMWZIQKG-LBPRGKRZSA-N -1 0 369.418 -0.500 20 0 FBADRM CN(C[C@@H]1CC=CCC1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424504959 484356302 /nfs/dbraw/zinc/35/63/02/484356302.db2.gz KGVXJTMASQQPIX-NEPJUHHUSA-N -1 0 358.416 -0.489 20 0 FBADRM CN(C[C@H]1CC=CCC1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424504960 484356127 /nfs/dbraw/zinc/35/61/27/484356127.db2.gz KGVXJTMASQQPIX-NWDGAFQWSA-N -1 0 358.416 -0.489 20 0 FBADRM CN(C[C@H]1CC=CCC1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424504961 484356411 /nfs/dbraw/zinc/35/64/11/484356411.db2.gz KGVXJTMASQQPIX-RYUDHWBXSA-N -1 0 358.416 -0.489 20 0 FBADRM CN(C[C@@H]1CC=CCC1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424504964 484356681 /nfs/dbraw/zinc/35/66/81/484356681.db2.gz KGVXJTMASQQPIX-VXGBXAGGSA-N -1 0 358.416 -0.489 20 0 FBADRM CN(C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)[C@@H]1CCC(C)(C)C1 ZINC000424505048 484356402 /nfs/dbraw/zinc/35/64/02/484356402.db2.gz KMZGLRVWXXDQKV-GHMZBOCLSA-N -1 0 360.432 -0.266 20 0 FBADRM CN(C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)[C@@H]1CCC(C)(C)C1 ZINC000424505051 484356245 /nfs/dbraw/zinc/35/62/45/484356245.db2.gz KMZGLRVWXXDQKV-MNOVXSKESA-N -1 0 360.432 -0.266 20 0 FBADRM CN(C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)[C@H]1CCC(C)(C)C1 ZINC000424505052 484356631 /nfs/dbraw/zinc/35/66/31/484356631.db2.gz KMZGLRVWXXDQKV-QWRGUYRKSA-N -1 0 360.432 -0.266 20 0 FBADRM CN(C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)[C@H]1CCC(C)(C)C1 ZINC000424505053 484356060 /nfs/dbraw/zinc/35/60/60/484356060.db2.gz KMZGLRVWXXDQKV-WDEREUQCSA-N -1 0 360.432 -0.266 20 0 FBADRM CCCC[C@H](COC)NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424505118 484356171 /nfs/dbraw/zinc/35/61/71/484356171.db2.gz RMZLAHSNHAYNHE-GHMZBOCLSA-N -1 0 364.420 -0.982 20 0 FBADRM CCCC[C@H](COC)NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424505120 484356581 /nfs/dbraw/zinc/35/65/81/484356581.db2.gz RMZLAHSNHAYNHE-MNOVXSKESA-N -1 0 364.420 -0.982 20 0 FBADRM CCCC[C@@H](COC)NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424505121 484356658 /nfs/dbraw/zinc/35/66/58/484356658.db2.gz RMZLAHSNHAYNHE-QWRGUYRKSA-N -1 0 364.420 -0.982 20 0 FBADRM CCCC[C@@H](COC)NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424505123 484356072 /nfs/dbraw/zinc/35/60/72/484356072.db2.gz RMZLAHSNHAYNHE-WDEREUQCSA-N -1 0 364.420 -0.982 20 0 FBADRM C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C[C@@H]1C ZINC000424505131 484356614 /nfs/dbraw/zinc/35/66/14/484356614.db2.gz ROKGMNYFMPZEJX-NOOOWODRSA-N -1 0 360.432 -0.363 20 0 FBADRM C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C[C@@H]1C ZINC000424505133 484356419 /nfs/dbraw/zinc/35/64/19/484356419.db2.gz ROKGMNYFMPZEJX-RHYQMDGZSA-N -1 0 360.432 -0.363 20 0 FBADRM C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C[C@H]1C ZINC000424505134 484356292 /nfs/dbraw/zinc/35/62/92/484356292.db2.gz ROKGMNYFMPZEJX-WISYIIOYSA-N -1 0 360.432 -0.363 20 0 FBADRM CC(C)C1(C)CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1 ZINC000424505186 484356688 /nfs/dbraw/zinc/35/66/88/484356688.db2.gz KNZWNLYRPPJUCS-GFCCVEGCSA-N -1 0 374.459 -0.019 20 0 FBADRM CC(C)C1(C)CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1 ZINC000424505187 484355983 /nfs/dbraw/zinc/35/59/83/484355983.db2.gz KNZWNLYRPPJUCS-LBPRGKRZSA-N -1 0 374.459 -0.019 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1)C(=O)[O-] ZINC000424505201 485205707 /nfs/dbraw/zinc/20/57/07/485205707.db2.gz KRILFHBELQPERW-LLVKDONJSA-N -1 0 356.423 -0.100 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1)C(=O)[O-] ZINC000424505202 485205196 /nfs/dbraw/zinc/20/51/96/485205196.db2.gz KRILFHBELQPERW-NSHDSACASA-N -1 0 356.423 -0.100 20 0 FBADRM C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C[C@H]1C ZINC000424505375 484356551 /nfs/dbraw/zinc/35/65/51/484356551.db2.gz ROKGMNYFMPZEJX-WYUUTHIRSA-N -1 0 360.432 -0.363 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)NCCCN1C(=O)CNC1=O)C(=O)[O-] ZINC000424505424 485205634 /nfs/dbraw/zinc/20/56/34/485205634.db2.gz RWJFMWXYHVKYCR-UHFFFAOYSA-N -1 0 356.379 -0.948 20 0 FBADRM Cc1ccc2c(c1)CN(C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C2 ZINC000424505710 484356592 /nfs/dbraw/zinc/35/65/92/484356592.db2.gz LNJOVQFGQFKARA-CYBMUJFWSA-N -1 0 366.395 -0.453 20 0 FBADRM Cc1ccc2c(c1)CN(C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C2 ZINC000424505718 484356520 /nfs/dbraw/zinc/35/65/20/484356520.db2.gz LNJOVQFGQFKARA-ZDUSSCGKSA-N -1 0 366.395 -0.453 20 0 FBADRM CC[C@@H](NC(=O)C(=O)NCC(CC)(CC)C(=O)[O-])C(=O)N1CCOCC1 ZINC000424505933 485205312 /nfs/dbraw/zinc/20/53/12/485205312.db2.gz SIQWDBYTJWUVSN-GFCCVEGCSA-N -1 0 371.434 -0.253 20 0 FBADRM CC[C@H](NC(=O)C(=O)NCC(CC)(CC)C(=O)[O-])C(=O)N1CCOCC1 ZINC000424505934 485205487 /nfs/dbraw/zinc/20/54/87/485205487.db2.gz SIQWDBYTJWUVSN-LBPRGKRZSA-N -1 0 371.434 -0.253 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC000424505943 485205481 /nfs/dbraw/zinc/20/54/81/485205481.db2.gz SJPNSTIMCSTCOZ-NEPJUHHUSA-N -1 0 353.419 -0.023 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC000424505945 485205041 /nfs/dbraw/zinc/20/50/41/485205041.db2.gz SJPNSTIMCSTCOZ-NWDGAFQWSA-N -1 0 353.419 -0.023 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC000424505948 485205370 /nfs/dbraw/zinc/20/53/70/485205370.db2.gz SJPNSTIMCSTCOZ-RYUDHWBXSA-N -1 0 353.419 -0.023 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC000424505951 485205528 /nfs/dbraw/zinc/20/55/28/485205528.db2.gz SJPNSTIMCSTCOZ-VXGBXAGGSA-N -1 0 353.419 -0.023 20 0 FBADRM CCC[C@@H]1CCCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424506026 484356641 /nfs/dbraw/zinc/35/66/41/484356641.db2.gz LOZUSGJPXLAPRA-NEPJUHHUSA-N -1 0 360.432 -0.122 20 0 FBADRM CCC[C@H]1CCCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424506030 484356270 /nfs/dbraw/zinc/35/62/70/484356270.db2.gz LOZUSGJPXLAPRA-NWDGAFQWSA-N -1 0 360.432 -0.122 20 0 FBADRM CCC[C@H]1CCCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424506032 484356721 /nfs/dbraw/zinc/35/67/21/484356721.db2.gz LOZUSGJPXLAPRA-RYUDHWBXSA-N -1 0 360.432 -0.122 20 0 FBADRM CCC[C@@H]1CCCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424506035 484356491 /nfs/dbraw/zinc/35/64/91/484356491.db2.gz LOZUSGJPXLAPRA-VXGBXAGGSA-N -1 0 360.432 -0.122 20 0 FBADRM CC[C@@]1(C)CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424506061 484356541 /nfs/dbraw/zinc/35/65/41/484356541.db2.gz LROSVSQXBUEQRA-ABAIWWIYSA-N -1 0 360.432 -0.265 20 0 FBADRM CC[C@]1(C)CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424506066 484356548 /nfs/dbraw/zinc/35/65/48/484356548.db2.gz LROSVSQXBUEQRA-IAQYHMDHSA-N -1 0 360.432 -0.265 20 0 FBADRM CC[C@@]1(C)CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424506068 484356141 /nfs/dbraw/zinc/35/61/41/484356141.db2.gz LROSVSQXBUEQRA-NHYWBVRUSA-N -1 0 360.432 -0.265 20 0 FBADRM CC[C@]1(C)CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424506069 484356389 /nfs/dbraw/zinc/35/63/89/484356389.db2.gz LROSVSQXBUEQRA-XHDPSFHLSA-N -1 0 360.432 -0.265 20 0 FBADRM CC(C)[C@H]1CCCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424506105 484356051 /nfs/dbraw/zinc/35/60/51/484356051.db2.gz LSPRKGIITVYTKG-NEPJUHHUSA-N -1 0 360.432 -0.266 20 0 FBADRM CC(C)[C@@H]1CCCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424506108 484356636 /nfs/dbraw/zinc/35/66/36/484356636.db2.gz LSPRKGIITVYTKG-NWDGAFQWSA-N -1 0 360.432 -0.266 20 0 FBADRM CC(C)[C@@H]1CCCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424506112 484356034 /nfs/dbraw/zinc/35/60/34/484356034.db2.gz LSPRKGIITVYTKG-RYUDHWBXSA-N -1 0 360.432 -0.266 20 0 FBADRM CC(C)[C@H]1CCCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424506115 484356663 /nfs/dbraw/zinc/35/66/63/484356663.db2.gz LSPRKGIITVYTKG-VXGBXAGGSA-N -1 0 360.432 -0.266 20 0 FBADRM Cc1ccc(CN(C)C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)o1 ZINC000424506180 484356151 /nfs/dbraw/zinc/35/61/51/484356151.db2.gz MAQCXOSAXODSCX-LLVKDONJSA-N -1 0 358.372 -0.743 20 0 FBADRM Cc1ccc(CN(C)C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)o1 ZINC000424506181 484356702 /nfs/dbraw/zinc/35/67/02/484356702.db2.gz MAQCXOSAXODSCX-NSHDSACASA-N -1 0 358.372 -0.743 20 0 FBADRM C[C@@H](c1ccncc1)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424506718 484356546 /nfs/dbraw/zinc/35/65/46/484356546.db2.gz MJFJVQSYXVJYRA-CMPLNLGQSA-N -1 0 369.399 -0.689 20 0 FBADRM C[C@@H](c1ccncc1)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424506722 484356437 /nfs/dbraw/zinc/35/64/37/484356437.db2.gz MJFJVQSYXVJYRA-JQWIXIFHSA-N -1 0 369.399 -0.689 20 0 FBADRM C[C@H](c1ccncc1)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424506725 484356625 /nfs/dbraw/zinc/35/66/25/484356625.db2.gz MJFJVQSYXVJYRA-PWSUYJOCSA-N -1 0 369.399 -0.689 20 0 FBADRM C[C@H](c1ccncc1)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424506729 484356179 /nfs/dbraw/zinc/35/61/79/484356179.db2.gz MJFJVQSYXVJYRA-ZYHUDNBSSA-N -1 0 369.399 -0.689 20 0 FBADRM CC(C)C[C@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424506731 484356620 /nfs/dbraw/zinc/35/66/20/484356620.db2.gz MJGJAJUMFHOACQ-NEPJUHHUSA-N -1 0 360.432 -0.409 20 0 FBADRM CC(C)C[C@@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424506734 484356212 /nfs/dbraw/zinc/35/62/12/484356212.db2.gz MJGJAJUMFHOACQ-NWDGAFQWSA-N -1 0 360.432 -0.409 20 0 FBADRM CC(C)C[C@@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424506737 484356366 /nfs/dbraw/zinc/35/63/66/484356366.db2.gz MJGJAJUMFHOACQ-RYUDHWBXSA-N -1 0 360.432 -0.409 20 0 FBADRM CC(C)C[C@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424506742 484356023 /nfs/dbraw/zinc/35/60/23/484356023.db2.gz MJGJAJUMFHOACQ-VXGBXAGGSA-N -1 0 360.432 -0.409 20 0 FBADRM CC(C)C1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1 ZINC000424506787 484356309 /nfs/dbraw/zinc/35/63/09/484356309.db2.gz MMFMJIYDPKAUMO-GFCCVEGCSA-N -1 0 360.432 -0.409 20 0 FBADRM CC(C)C1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1 ZINC000424506788 484356604 /nfs/dbraw/zinc/35/66/04/484356604.db2.gz MMFMJIYDPKAUMO-LBPRGKRZSA-N -1 0 360.432 -0.409 20 0 FBADRM CC1(C)CN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCS1 ZINC000424507084 484356283 /nfs/dbraw/zinc/35/62/83/484356283.db2.gz MQLICOBYZMUVEK-SECBINFHSA-N -1 0 364.445 -0.949 20 0 FBADRM CC1(C)CN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCS1 ZINC000424507086 484356104 /nfs/dbraw/zinc/35/61/04/484356104.db2.gz MQLICOBYZMUVEK-VIFPVBQESA-N -1 0 364.445 -0.949 20 0 FBADRM CCN(Cc1ccncc1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424507213 484356610 /nfs/dbraw/zinc/35/66/10/484356610.db2.gz MZYOTAOWTDMRPC-GFCCVEGCSA-N -1 0 369.399 -0.860 20 0 FBADRM CCN(Cc1ccncc1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424507216 484356694 /nfs/dbraw/zinc/35/66/94/484356694.db2.gz MZYOTAOWTDMRPC-LBPRGKRZSA-N -1 0 369.399 -0.860 20 0 FBADRM Cc1occc1CN(C)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424507217 484356080 /nfs/dbraw/zinc/35/60/80/484356080.db2.gz MZZYWXFWMFAEPM-LLVKDONJSA-N -1 0 358.372 -0.743 20 0 FBADRM Cc1occc1CN(C)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424507219 484355919 /nfs/dbraw/zinc/35/59/19/484355919.db2.gz MZZYWXFWMFAEPM-NSHDSACASA-N -1 0 358.372 -0.743 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CCS1(=O)=O ZINC000424507225 484356464 /nfs/dbraw/zinc/35/64/64/484356464.db2.gz UFPTYOQUGKRBRA-LOWDOPEQSA-N -1 0 372.443 -0.218 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CCS1(=O)=O ZINC000424507232 484356470 /nfs/dbraw/zinc/35/64/70/484356470.db2.gz UFPTYOQUGKRBRA-RVMXOQNASA-N -1 0 372.443 -0.218 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CCS1(=O)=O ZINC000424507237 484356253 /nfs/dbraw/zinc/35/62/53/484356253.db2.gz UFPTYOQUGKRBRA-UMSGYPCISA-N -1 0 372.443 -0.218 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CCS1(=O)=O ZINC000424507244 484356559 /nfs/dbraw/zinc/35/65/59/484356559.db2.gz UFPTYOQUGKRBRA-WUHRBBMRSA-N -1 0 372.443 -0.218 20 0 FBADRM C[C@@H]1CCC[C@H](C)N(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424507255 484356380 /nfs/dbraw/zinc/35/63/80/484356380.db2.gz NBTAOJHFYZHLLZ-GRYCIOLGSA-N -1 0 360.432 -0.266 20 0 FBADRM C[C@@H]1CCC[C@@H](C)N(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424507359 484356483 /nfs/dbraw/zinc/35/64/83/484356483.db2.gz NBTAOJHFYZHLLZ-IJLUTSLNSA-N -1 0 360.432 -0.266 20 0 FBADRM C[C@@H]1CCC[C@@H](C)N(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424507361 484356196 /nfs/dbraw/zinc/35/61/96/484356196.db2.gz NBTAOJHFYZHLLZ-UTUOFQBUSA-N -1 0 360.432 -0.266 20 0 FBADRM C[C@@H]1CCC[C@H](C)N(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424507362 484356739 /nfs/dbraw/zinc/35/67/39/484356739.db2.gz NBTAOJHFYZHLLZ-WOPDTQHZSA-N -1 0 360.432 -0.266 20 0 FBADRM CN(C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C(C1CC1)C1CC1 ZINC000424507383 484356204 /nfs/dbraw/zinc/35/62/04/484356204.db2.gz NDPBIODICZWMIE-LLVKDONJSA-N -1 0 358.416 -0.656 20 0 FBADRM CN(C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C(C1CC1)C1CC1 ZINC000424507384 484356134 /nfs/dbraw/zinc/35/61/34/484356134.db2.gz NDPBIODICZWMIE-NSHDSACASA-N -1 0 358.416 -0.656 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000424507396 485205785 /nfs/dbraw/zinc/20/57/85/485205785.db2.gz NEVJCQBHLBKDIR-JTQLQIEISA-N -1 0 350.437 -0.115 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O)C(=O)[O-] ZINC000424507397 485205431 /nfs/dbraw/zinc/20/54/31/485205431.db2.gz NEVJCQBHLBKDIR-SNVBAGLBSA-N -1 0 350.437 -0.115 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCN(C(=O)COC)CC1)C(=O)[O-] ZINC000424507424 485205180 /nfs/dbraw/zinc/20/51/80/485205180.db2.gz NHLOLQAORHMWPT-UHFFFAOYSA-N -1 0 357.407 -0.689 20 0 FBADRM CN(Cc1cccc(F)c1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424507439 484356674 /nfs/dbraw/zinc/35/66/74/484356674.db2.gz NKKBVXZXZRQWLC-GFCCVEGCSA-N -1 0 372.374 -0.506 20 0 FBADRM CN(Cc1cccc(F)c1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424507440 484356654 /nfs/dbraw/zinc/35/66/54/484356654.db2.gz NKKBVXZXZRQWLC-LBPRGKRZSA-N -1 0 372.374 -0.506 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1(F)F ZINC000424507772 484357289 /nfs/dbraw/zinc/35/72/89/484357289.db2.gz NODUQCJSUJZLNS-BDAKNGLRSA-N -1 0 368.358 -0.800 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1(F)F ZINC000424507773 484357405 /nfs/dbraw/zinc/35/74/05/484357405.db2.gz NODUQCJSUJZLNS-DTWKUNHWSA-N -1 0 368.358 -0.800 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1(F)F ZINC000424507775 484357227 /nfs/dbraw/zinc/35/72/27/484357227.db2.gz NODUQCJSUJZLNS-IUCAKERBSA-N -1 0 368.358 -0.800 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1(F)F ZINC000424507776 484357823 /nfs/dbraw/zinc/35/78/23/484357823.db2.gz NODUQCJSUJZLNS-RKDXNWHRSA-N -1 0 368.358 -0.800 20 0 FBADRM CCN(Cc1occc1C)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424507783 484357516 /nfs/dbraw/zinc/35/75/16/484357516.db2.gz NOKWKODRXBPMOK-GFCCVEGCSA-N -1 0 372.399 -0.353 20 0 FBADRM CCN(Cc1occc1C)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424507785 484357570 /nfs/dbraw/zinc/35/75/70/484357570.db2.gz NOKWKODRXBPMOK-LBPRGKRZSA-N -1 0 372.399 -0.353 20 0 FBADRM CC1CCC(N(C)C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1 ZINC000424508087 484357800 /nfs/dbraw/zinc/35/78/00/484357800.db2.gz OAZOSZCVRWAFSW-HTAVTVPLSA-N -1 0 360.432 -0.266 20 0 FBADRM CC1CCC(N(C)C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1 ZINC000424508090 484357578 /nfs/dbraw/zinc/35/75/78/484357578.db2.gz OAZOSZCVRWAFSW-MCIGGMRASA-N -1 0 360.432 -0.266 20 0 FBADRM CCc1ccccc1CNC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424508130 484357597 /nfs/dbraw/zinc/35/75/97/484357597.db2.gz VGODQVYUOGUFGA-CYBMUJFWSA-N -1 0 368.411 -0.425 20 0 FBADRM CCc1ccccc1CNC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424508132 484357434 /nfs/dbraw/zinc/35/74/34/484357434.db2.gz VGODQVYUOGUFGA-ZDUSSCGKSA-N -1 0 368.411 -0.425 20 0 FBADRM CC[C@H](CSC)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424508157 485205727 /nfs/dbraw/zinc/20/57/27/485205727.db2.gz OFDSDJNZWVTRBP-NXEZZACHSA-N -1 0 366.461 -0.703 20 0 FBADRM CC[C@@H](CSC)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424508159 485205520 /nfs/dbraw/zinc/20/55/20/485205520.db2.gz OFDSDJNZWVTRBP-UWVGGRQHSA-N -1 0 366.461 -0.703 20 0 FBADRM CC[C@@H](CSC)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424508162 485205240 /nfs/dbraw/zinc/20/52/40/485205240.db2.gz OFDSDJNZWVTRBP-VHSXEESVSA-N -1 0 366.461 -0.703 20 0 FBADRM CC[C@H](CSC)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424508164 485205758 /nfs/dbraw/zinc/20/57/58/485205758.db2.gz OFDSDJNZWVTRBP-ZJUUUORDSA-N -1 0 366.461 -0.703 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N(CC2CC2)CC2CCC2)CCS1(=O)=O ZINC000424508212 484357673 /nfs/dbraw/zinc/35/76/73/484357673.db2.gz OIXJOKYWGVQNMP-CYBMUJFWSA-N -1 0 372.443 -0.265 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N(CC2CC2)CC2CCC2)CCS1(=O)=O ZINC000424508214 484357757 /nfs/dbraw/zinc/35/77/57/484357757.db2.gz OIXJOKYWGVQNMP-ZDUSSCGKSA-N -1 0 372.443 -0.265 20 0 FBADRM CCC1(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCCC1 ZINC000424508236 484357741 /nfs/dbraw/zinc/35/77/41/484357741.db2.gz VMHABBCVABAMJO-LLVKDONJSA-N -1 0 360.432 -0.217 20 0 FBADRM CCC1(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCCC1 ZINC000424508237 484357777 /nfs/dbraw/zinc/35/77/77/484357777.db2.gz VMHABBCVABAMJO-NSHDSACASA-N -1 0 360.432 -0.217 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N(CC2CC2)CC2CC2)CCS1(=O)=O ZINC000424508456 484357463 /nfs/dbraw/zinc/35/74/63/484357463.db2.gz OUAKHWCDOGHIKN-GFCCVEGCSA-N -1 0 358.416 -0.655 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N(CC2CC2)CC2CC2)CCS1(=O)=O ZINC000424508458 484357444 /nfs/dbraw/zinc/35/74/44/484357444.db2.gz OUAKHWCDOGHIKN-LBPRGKRZSA-N -1 0 358.416 -0.655 20 0 FBADRM Cc1ccccc1CN(C)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424508593 484357774 /nfs/dbraw/zinc/35/77/74/484357774.db2.gz PEJKDSUUGRKKKR-CYBMUJFWSA-N -1 0 368.411 -0.336 20 0 FBADRM Cc1ccccc1CN(C)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424508595 484357770 /nfs/dbraw/zinc/35/77/70/484357770.db2.gz PEJKDSUUGRKKKR-ZDUSSCGKSA-N -1 0 368.411 -0.336 20 0 FBADRM CC(C)(C)[C@@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424508599 484357662 /nfs/dbraw/zinc/35/76/62/484357662.db2.gz PETDIOVOQUDOME-GHMZBOCLSA-N -1 0 360.432 -0.409 20 0 FBADRM CC(C)(C)[C@@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424508602 484357387 /nfs/dbraw/zinc/35/73/87/484357387.db2.gz PETDIOVOQUDOME-MNOVXSKESA-N -1 0 360.432 -0.409 20 0 FBADRM CC(C)(C)[C@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424508605 484357340 /nfs/dbraw/zinc/35/73/40/484357340.db2.gz PETDIOVOQUDOME-QWRGUYRKSA-N -1 0 360.432 -0.409 20 0 FBADRM CC(C)(C)[C@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424508607 484357668 /nfs/dbraw/zinc/35/76/68/484357668.db2.gz PETDIOVOQUDOME-WDEREUQCSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1(C)C ZINC000424508634 484357505 /nfs/dbraw/zinc/35/75/05/484357505.db2.gz PGVBYNSSMXPVCY-GHMZBOCLSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1(C)C ZINC000424508710 484357840 /nfs/dbraw/zinc/35/78/40/484357840.db2.gz PGVBYNSSMXPVCY-MNOVXSKESA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1(C)C ZINC000424508711 484357872 /nfs/dbraw/zinc/35/78/72/484357872.db2.gz PGVBYNSSMXPVCY-QWRGUYRKSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1(C)C ZINC000424508712 484357710 /nfs/dbraw/zinc/35/77/10/484357710.db2.gz PGVBYNSSMXPVCY-WDEREUQCSA-N -1 0 360.432 -0.409 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCO[C@H](CNC(C)=O)C1)C(=O)[O-] ZINC000424508756 485205053 /nfs/dbraw/zinc/20/50/53/485205053.db2.gz PJRSUBIDYSFDOX-GFCCVEGCSA-N -1 0 357.407 -0.643 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCO[C@@H](CNC(C)=O)C1)C(=O)[O-] ZINC000424508758 485205512 /nfs/dbraw/zinc/20/55/12/485205512.db2.gz PJRSUBIDYSFDOX-LBPRGKRZSA-N -1 0 357.407 -0.643 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C(F)F)CCS1(=O)=O ZINC000424508828 484357237 /nfs/dbraw/zinc/35/72/37/484357237.db2.gz PPSLFUAVDROIPD-BDAKNGLRSA-N -1 0 368.358 -0.657 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C(F)F)CCS1(=O)=O ZINC000424508833 484357279 /nfs/dbraw/zinc/35/72/79/484357279.db2.gz PPSLFUAVDROIPD-DTWKUNHWSA-N -1 0 368.358 -0.657 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C(F)F)CCS1(=O)=O ZINC000424508835 484357746 /nfs/dbraw/zinc/35/77/46/484357746.db2.gz PPSLFUAVDROIPD-IUCAKERBSA-N -1 0 368.358 -0.657 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C(F)F)CCS1(=O)=O ZINC000424508837 484357314 /nfs/dbraw/zinc/35/73/14/484357314.db2.gz PPSLFUAVDROIPD-RKDXNWHRSA-N -1 0 368.358 -0.657 20 0 FBADRM Cc1cccc(CN(C)C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)n1 ZINC000424508868 484357589 /nfs/dbraw/zinc/35/75/89/484357589.db2.gz PSKFBWQLAYXZJO-GFCCVEGCSA-N -1 0 369.399 -0.941 20 0 FBADRM Cc1cccc(CN(C)C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)n1 ZINC000424508870 484357734 /nfs/dbraw/zinc/35/77/34/484357734.db2.gz PSKFBWQLAYXZJO-LBPRGKRZSA-N -1 0 369.399 -0.941 20 0 FBADRM Cc1cccc(CN(C)C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424509202 484357625 /nfs/dbraw/zinc/35/76/25/484357625.db2.gz PVZXLAWJIVUDTL-CYBMUJFWSA-N -1 0 368.411 -0.336 20 0 FBADRM Cc1cccc(CN(C)C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424509204 484357134 /nfs/dbraw/zinc/35/71/34/484357134.db2.gz PVZXLAWJIVUDTL-ZDUSSCGKSA-N -1 0 368.411 -0.336 20 0 FBADRM CC[C@@H]1CCCCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424509297 484357780 /nfs/dbraw/zinc/35/77/80/484357780.db2.gz QDBJWZQEJMZWFR-NEPJUHHUSA-N -1 0 360.432 -0.122 20 0 FBADRM CC[C@H]1CCCCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424509501 484357061 /nfs/dbraw/zinc/35/70/61/484357061.db2.gz QDBJWZQEJMZWFR-NWDGAFQWSA-N -1 0 360.432 -0.122 20 0 FBADRM CC[C@H]1CCCCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424509503 484357011 /nfs/dbraw/zinc/35/70/11/484357011.db2.gz QDBJWZQEJMZWFR-RYUDHWBXSA-N -1 0 360.432 -0.122 20 0 FBADRM CC[C@@H]1CCCCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424509505 484357124 /nfs/dbraw/zinc/35/71/24/484357124.db2.gz QDBJWZQEJMZWFR-VXGBXAGGSA-N -1 0 360.432 -0.122 20 0 FBADRM C[C@H]1CC(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C[C@H](C)C1 ZINC000424509577 484357490 /nfs/dbraw/zinc/35/74/90/484357490.db2.gz WTRLJNJPASNYLT-CKYFFXLPSA-N -1 0 360.432 -0.363 20 0 FBADRM C[C@H]1CC(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C[C@H](C)C1 ZINC000424509580 484357077 /nfs/dbraw/zinc/35/70/77/484357077.db2.gz WTRLJNJPASNYLT-FOGDFJRCSA-N -1 0 360.432 -0.363 20 0 FBADRM C[C@H]1C[C@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C[C@@H](C)C1 ZINC000424509581 484357545 /nfs/dbraw/zinc/35/75/45/484357545.db2.gz WTRLJNJPASNYLT-NOOOWODRSA-N -1 0 360.432 -0.363 20 0 FBADRM C[C@H]1C[C@H](NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C[C@@H](C)C1 ZINC000424509583 484357248 /nfs/dbraw/zinc/35/72/48/484357248.db2.gz WTRLJNJPASNYLT-QCNOEVLYSA-N -1 0 360.432 -0.363 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCCC3(CCCC3)C2)CCS1(=O)=O ZINC000424509695 484357323 /nfs/dbraw/zinc/35/73/23/484357323.db2.gz QRINUGKKIMMVOY-GFCCVEGCSA-N -1 0 372.443 -0.121 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCCC3(CCCC3)C2)CCS1(=O)=O ZINC000424509699 484357724 /nfs/dbraw/zinc/35/77/24/484357724.db2.gz QRINUGKKIMMVOY-LBPRGKRZSA-N -1 0 372.443 -0.121 20 0 FBADRM CC(C)C[C@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424509887 484357720 /nfs/dbraw/zinc/35/77/20/484357720.db2.gz QYFDWXZLGWKQQG-CHWSQXEVSA-N -1 0 374.459 -0.019 20 0 FBADRM CC(C)C[C@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424509888 484357425 /nfs/dbraw/zinc/35/74/25/484357425.db2.gz QYFDWXZLGWKQQG-OLZOCXBDSA-N -1 0 374.459 -0.019 20 0 FBADRM CC(C)C[C@@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424509889 484357088 /nfs/dbraw/zinc/35/70/88/484357088.db2.gz QYFDWXZLGWKQQG-QWHCGFSZSA-N -1 0 374.459 -0.019 20 0 FBADRM CC(C)C[C@@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424509891 484357698 /nfs/dbraw/zinc/35/76/98/484357698.db2.gz QYFDWXZLGWKQQG-STQMWFEESA-N -1 0 374.459 -0.019 20 0 FBADRM C[C@H](C1CC1)N(C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C1CC1 ZINC000424509983 484357202 /nfs/dbraw/zinc/35/72/02/484357202.db2.gz RCDXGFIKGCSUFN-BXKDBHETSA-N -1 0 358.416 -0.514 20 0 FBADRM C[C@@H](C1CC1)N(C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C1CC1 ZINC000424509984 484357144 /nfs/dbraw/zinc/35/71/44/484357144.db2.gz RCDXGFIKGCSUFN-CABZTGNLSA-N -1 0 358.416 -0.514 20 0 FBADRM C[C@@H](C1CC1)N(C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C1CC1 ZINC000424509986 484357828 /nfs/dbraw/zinc/35/78/28/484357828.db2.gz RCDXGFIKGCSUFN-JOYOIKCWSA-N -1 0 358.416 -0.514 20 0 FBADRM C[C@H](C1CC1)N(C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C1CC1 ZINC000424509987 484357209 /nfs/dbraw/zinc/35/72/09/484357209.db2.gz RCDXGFIKGCSUFN-SKDRFNHKSA-N -1 0 358.416 -0.514 20 0 FBADRM CC1(C)C(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1(C)C ZINC000424510092 484357834 /nfs/dbraw/zinc/35/78/34/484357834.db2.gz XNDCNTFZOCNCEQ-SECBINFHSA-N -1 0 360.432 -0.505 20 0 FBADRM CC1(C)C(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1(C)C ZINC000424510094 484357452 /nfs/dbraw/zinc/35/74/52/484357452.db2.gz XNDCNTFZOCNCEQ-VIFPVBQESA-N -1 0 360.432 -0.505 20 0 FBADRM Cc1ccc(CN(C)C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1 ZINC000424510135 484357167 /nfs/dbraw/zinc/35/71/67/484357167.db2.gz RFGCJMHLWIMDEU-CYBMUJFWSA-N -1 0 368.411 -0.336 20 0 FBADRM Cc1ccc(CN(C)C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1 ZINC000424510137 484357104 /nfs/dbraw/zinc/35/71/04/484357104.db2.gz RFGCJMHLWIMDEU-ZDUSSCGKSA-N -1 0 368.411 -0.336 20 0 FBADRM C[C@@H]1CC2(CCC2)CN1C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424510189 484357299 /nfs/dbraw/zinc/35/72/99/484357299.db2.gz RIIYMQXUWROMMB-GHMZBOCLSA-N -1 0 358.416 -0.512 20 0 FBADRM C[C@@H]1CC2(CCC2)CN1C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424510190 484357481 /nfs/dbraw/zinc/35/74/81/484357481.db2.gz RIIYMQXUWROMMB-MNOVXSKESA-N -1 0 358.416 -0.512 20 0 FBADRM C[C@H]1CC2(CCC2)CN1C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424510192 484357576 /nfs/dbraw/zinc/35/75/76/484357576.db2.gz RIIYMQXUWROMMB-QWRGUYRKSA-N -1 0 358.416 -0.512 20 0 FBADRM C[C@H]1CC2(CCC2)CN1C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424510194 484357761 /nfs/dbraw/zinc/35/77/61/484357761.db2.gz RIIYMQXUWROMMB-WDEREUQCSA-N -1 0 358.416 -0.512 20 0 FBADRM CC(C)[C@@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424510206 484357055 /nfs/dbraw/zinc/35/70/55/484357055.db2.gz RJYHEJHPGDPKHP-NEPJUHHUSA-N -1 0 360.432 -0.409 20 0 FBADRM CC(C)[C@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424510208 484357729 /nfs/dbraw/zinc/35/77/29/484357729.db2.gz RJYHEJHPGDPKHP-NWDGAFQWSA-N -1 0 360.432 -0.409 20 0 FBADRM CC(C)[C@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424510209 484357691 /nfs/dbraw/zinc/35/76/91/484357691.db2.gz RJYHEJHPGDPKHP-RYUDHWBXSA-N -1 0 360.432 -0.409 20 0 FBADRM CC(C)[C@@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424510210 484357047 /nfs/dbraw/zinc/35/70/47/484357047.db2.gz RJYHEJHPGDPKHP-VXGBXAGGSA-N -1 0 360.432 -0.409 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2Cc3ccccc3CO2)CCS1(=O)=O ZINC000424510231 484357174 /nfs/dbraw/zinc/35/71/74/484357174.db2.gz RMZPTFZGIGKPPD-GFCCVEGCSA-N -1 0 368.367 -0.829 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2Cc3ccccc3CO2)CCS1(=O)=O ZINC000424510233 484357112 /nfs/dbraw/zinc/35/71/12/484357112.db2.gz RMZPTFZGIGKPPD-LBPRGKRZSA-N -1 0 368.367 -0.829 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)CCS1(=O)=O ZINC000424510626 484357306 /nfs/dbraw/zinc/35/73/06/484357306.db2.gz YCEBYRHHISVJHF-BDAKNGLRSA-N -1 0 368.358 -0.609 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@H]2CCCC(F)(F)C2)CCS1(=O)=O ZINC000424510634 484357765 /nfs/dbraw/zinc/35/77/65/484357765.db2.gz YCEBYRHHISVJHF-DTWKUNHWSA-N -1 0 368.358 -0.609 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC(F)(F)C2)CCS1(=O)=O ZINC000424510637 484357416 /nfs/dbraw/zinc/35/74/16/484357416.db2.gz YCEBYRHHISVJHF-IUCAKERBSA-N -1 0 368.358 -0.609 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)CCS1(=O)=O ZINC000424510638 484357182 /nfs/dbraw/zinc/35/71/82/484357182.db2.gz YCEBYRHHISVJHF-RKDXNWHRSA-N -1 0 368.358 -0.609 20 0 FBADRM CCN(Cc1cccs1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424510786 484357845 /nfs/dbraw/zinc/35/78/45/484357845.db2.gz SGGBYUKLJRTLAL-LLVKDONJSA-N -1 0 374.440 -0.193 20 0 FBADRM CCN(Cc1cccs1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424510787 484357864 /nfs/dbraw/zinc/35/78/64/484357864.db2.gz SGGBYUKLJRTLAL-NSHDSACASA-N -1 0 374.440 -0.193 20 0 FBADRM CCC(CC)CN(CC)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424510834 484357704 /nfs/dbraw/zinc/35/77/04/484357704.db2.gz SLJYGGUYJVENPA-GFCCVEGCSA-N -1 0 362.448 -0.019 20 0 FBADRM CCC(CC)CN(CC)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424510836 484357642 /nfs/dbraw/zinc/35/76/42/484357642.db2.gz SLJYGGUYJVENPA-LBPRGKRZSA-N -1 0 362.448 -0.019 20 0 FBADRM CSC[C@H]1CCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424510915 485205151 /nfs/dbraw/zinc/20/51/51/485205151.db2.gz SPXVKVPEFHGYLT-NXEZZACHSA-N -1 0 364.445 -0.949 20 0 FBADRM CSC[C@@H]1CCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424510916 485204910 /nfs/dbraw/zinc/20/49/10/485204910.db2.gz SPXVKVPEFHGYLT-UWVGGRQHSA-N -1 0 364.445 -0.949 20 0 FBADRM CSC[C@@H]1CCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424510917 485205158 /nfs/dbraw/zinc/20/51/58/485205158.db2.gz SPXVKVPEFHGYLT-VHSXEESVSA-N -1 0 364.445 -0.949 20 0 FBADRM CSC[C@H]1CCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424510918 485204982 /nfs/dbraw/zinc/20/49/82/485204982.db2.gz SPXVKVPEFHGYLT-ZJUUUORDSA-N -1 0 364.445 -0.949 20 0 FBADRM CC[C@@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1ccncc1 ZINC000424511158 484357219 /nfs/dbraw/zinc/35/72/19/484357219.db2.gz YMLYQWDYZQKFOB-NEPJUHHUSA-N -1 0 369.399 -0.641 20 0 FBADRM CC[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1ccncc1 ZINC000424511165 484357474 /nfs/dbraw/zinc/35/74/74/484357474.db2.gz YMLYQWDYZQKFOB-NWDGAFQWSA-N -1 0 369.399 -0.641 20 0 FBADRM CC[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1ccncc1 ZINC000424511171 484357033 /nfs/dbraw/zinc/35/70/33/484357033.db2.gz YMLYQWDYZQKFOB-RYUDHWBXSA-N -1 0 369.399 -0.641 20 0 FBADRM CC[C@@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1ccncc1 ZINC000424511177 484357751 /nfs/dbraw/zinc/35/77/51/484357751.db2.gz YMLYQWDYZQKFOB-VXGBXAGGSA-N -1 0 369.399 -0.641 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2)CCS1(=O)=O ZINC000424511753 484357538 /nfs/dbraw/zinc/35/75/38/484357538.db2.gz YVWFLRQYEVEPKY-XQQFMLRXSA-N -1 0 366.395 -0.631 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2)CCS1(=O)=O ZINC000424511757 484357857 /nfs/dbraw/zinc/35/78/57/484357857.db2.gz YVWFLRQYEVEPKY-YNEHKIRRSA-N -1 0 366.395 -0.631 20 0 FBADRM CC(C)N(CC1CCC1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424511800 484357498 /nfs/dbraw/zinc/35/74/98/484357498.db2.gz UNRSVRIDYKBCPF-GFCCVEGCSA-N -1 0 360.432 -0.266 20 0 FBADRM CC(C)N(CC1CCC1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424511802 484357850 /nfs/dbraw/zinc/35/78/50/484357850.db2.gz UNRSVRIDYKBCPF-LBPRGKRZSA-N -1 0 360.432 -0.266 20 0 FBADRM CSCC[C@@H](C)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424511949 485205298 /nfs/dbraw/zinc/20/52/98/485205298.db2.gz UOGFXEMSPVBNNE-NXEZZACHSA-N -1 0 366.461 -0.703 20 0 FBADRM CSCC[C@H](C)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424511952 485205574 /nfs/dbraw/zinc/20/55/74/485205574.db2.gz UOGFXEMSPVBNNE-UWVGGRQHSA-N -1 0 366.461 -0.703 20 0 FBADRM CSCC[C@H](C)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424511954 485204926 /nfs/dbraw/zinc/20/49/26/485204926.db2.gz UOGFXEMSPVBNNE-VHSXEESVSA-N -1 0 366.461 -0.703 20 0 FBADRM CSCC[C@@H](C)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424511957 485205024 /nfs/dbraw/zinc/20/50/24/485205024.db2.gz UOGFXEMSPVBNNE-ZJUUUORDSA-N -1 0 366.461 -0.703 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCCNC(=O)c1ccco1)C(=O)[O-] ZINC000424512381 485205083 /nfs/dbraw/zinc/20/50/83/485205083.db2.gz BDGQWBIHSJMGDP-LLVKDONJSA-N -1 0 353.375 -0.011 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCCNC(=O)c1ccco1)C(=O)[O-] ZINC000424512389 485205506 /nfs/dbraw/zinc/20/55/06/485205506.db2.gz BDGQWBIHSJMGDP-NSHDSACASA-N -1 0 353.375 -0.011 20 0 FBADRM CC(C)(C)C1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1 ZINC000424512464 484357633 /nfs/dbraw/zinc/35/76/33/484357633.db2.gz VEAZTDPLJNNRRB-GFCCVEGCSA-N -1 0 374.459 -0.019 20 0 FBADRM CC(C)(C)C1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1 ZINC000424512465 484357526 /nfs/dbraw/zinc/35/75/26/484357526.db2.gz VEAZTDPLJNNRRB-LBPRGKRZSA-N -1 0 374.459 -0.019 20 0 FBADRM CN(CCc1ccccc1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424512600 484357682 /nfs/dbraw/zinc/35/76/82/484357682.db2.gz VLUWNOWYKMOKKT-CYBMUJFWSA-N -1 0 368.411 -0.602 20 0 FBADRM CN(CCc1ccccc1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424512601 484357397 /nfs/dbraw/zinc/35/73/97/484357397.db2.gz VLUWNOWYKMOKKT-ZDUSSCGKSA-N -1 0 368.411 -0.602 20 0 FBADRM CCN(Cc1ccccn1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424512670 484357620 /nfs/dbraw/zinc/35/76/20/484357620.db2.gz VOVZJYMFEVEIDJ-GFCCVEGCSA-N -1 0 369.399 -0.860 20 0 FBADRM CCN(Cc1ccccn1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424512671 484357612 /nfs/dbraw/zinc/35/76/12/484357612.db2.gz VOVZJYMFEVEIDJ-LBPRGKRZSA-N -1 0 369.399 -0.860 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)NCCNC(=O)c1cnccn1)C(=O)[O-] ZINC000424512877 485207089 /nfs/dbraw/zinc/20/70/89/485207089.db2.gz BOKQTRAREBEQFR-UHFFFAOYSA-N -1 0 365.390 -0.670 20 0 FBADRM CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424512996 484357875 /nfs/dbraw/zinc/35/78/75/484357875.db2.gz CBFFYXVBQYUTJO-GRYCIOLGSA-N -1 0 360.432 -0.218 20 0 FBADRM CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424513000 484357807 /nfs/dbraw/zinc/35/78/07/484357807.db2.gz CBFFYXVBQYUTJO-IJLUTSLNSA-N -1 0 360.432 -0.218 20 0 FBADRM CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424513005 484357331 /nfs/dbraw/zinc/35/73/31/484357331.db2.gz CBFFYXVBQYUTJO-UTUOFQBUSA-N -1 0 360.432 -0.218 20 0 FBADRM CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424513008 484357653 /nfs/dbraw/zinc/35/76/53/484357653.db2.gz CBFFYXVBQYUTJO-WOPDTQHZSA-N -1 0 360.432 -0.218 20 0 FBADRM CCC1(CC)CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424513011 484357155 /nfs/dbraw/zinc/35/71/55/484357155.db2.gz WMQVWWWGFQPDGS-LLVKDONJSA-N -1 0 360.432 -0.265 20 0 FBADRM CCC1(CC)CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424513013 484357605 /nfs/dbraw/zinc/35/76/05/484357605.db2.gz WMQVWWWGFQPDGS-NSHDSACASA-N -1 0 360.432 -0.265 20 0 FBADRM COCC(=O)N1CCC(NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000424513245 485206988 /nfs/dbraw/zinc/20/69/88/485206988.db2.gz CLHRRNKEMCGQJY-GFCCVEGCSA-N -1 0 371.434 -0.397 20 0 FBADRM COCC(=O)N1CCC(NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC1 ZINC000424513246 485206216 /nfs/dbraw/zinc/20/62/16/485206216.db2.gz CLHRRNKEMCGQJY-LBPRGKRZSA-N -1 0 371.434 -0.397 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCCNC(=O)c1cccnc1)C(=O)[O-] ZINC000424513254 485206108 /nfs/dbraw/zinc/20/61/08/485206108.db2.gz CNCLYRRNXHNEAV-CYBMUJFWSA-N -1 0 364.402 -0.209 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCCNC(=O)c1cccnc1)C(=O)[O-] ZINC000424513255 485207095 /nfs/dbraw/zinc/20/70/95/485207095.db2.gz CNCLYRRNXHNEAV-ZDUSSCGKSA-N -1 0 364.402 -0.209 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)NCCNS(=O)(=O)CC)C(=O)[O-] ZINC000424513258 485206759 /nfs/dbraw/zinc/20/67/59/485206759.db2.gz CNTTZLRTQXGUND-UHFFFAOYSA-N -1 0 351.425 -0.951 20 0 FBADRM C[C@@H](Cc1cccs1)NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424513284 484358869 /nfs/dbraw/zinc/35/88/69/484358869.db2.gz CSWYIQRPRAVJAF-GXSJLCMTSA-N -1 0 374.440 -0.495 20 0 FBADRM C[C@H](Cc1cccs1)NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424513285 484358721 /nfs/dbraw/zinc/35/87/21/484358721.db2.gz CSWYIQRPRAVJAF-KOLCDFICSA-N -1 0 374.440 -0.495 20 0 FBADRM C[C@H](Cc1cccs1)NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424513286 484358436 /nfs/dbraw/zinc/35/84/36/484358436.db2.gz CSWYIQRPRAVJAF-MWLCHTKSSA-N -1 0 374.440 -0.495 20 0 FBADRM C[C@@H](Cc1cccs1)NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424513287 484358647 /nfs/dbraw/zinc/35/86/47/484358647.db2.gz CSWYIQRPRAVJAF-ONGXEEELSA-N -1 0 374.440 -0.495 20 0 FBADRM CCC1(C)CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1 ZINC000424513465 484358316 /nfs/dbraw/zinc/35/83/16/484358316.db2.gz XKXWYQWJYMYUAE-LLVKDONJSA-N -1 0 360.432 -0.265 20 0 FBADRM CCC1(C)CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1 ZINC000424513466 484358694 /nfs/dbraw/zinc/35/86/94/484358694.db2.gz XKXWYQWJYMYUAE-NSHDSACASA-N -1 0 360.432 -0.265 20 0 FBADRM C[C@@H]1SCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)[C@H]1C ZINC000424513469 484358906 /nfs/dbraw/zinc/35/89/06/484358906.db2.gz XLIOXGJWSYFARG-GUBZILKMSA-N -1 0 364.445 -0.951 20 0 FBADRM C[C@@H]1[C@H](C)SCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424513470 484358704 /nfs/dbraw/zinc/35/87/04/484358704.db2.gz XLIOXGJWSYFARG-KXUCPTDWSA-N -1 0 364.445 -0.951 20 0 FBADRM C[C@@H]1SCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)[C@H]1C ZINC000424513471 484358699 /nfs/dbraw/zinc/35/86/99/484358699.db2.gz XLIOXGJWSYFARG-LPEHRKFASA-N -1 0 364.445 -0.951 20 0 FBADRM C[C@@H]1[C@H](C)SCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424513472 484358900 /nfs/dbraw/zinc/35/89/00/484358900.db2.gz XLIOXGJWSYFARG-UTLUCORTSA-N -1 0 364.445 -0.951 20 0 FBADRM CC(C)(C)[C@@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424513912 484358244 /nfs/dbraw/zinc/35/82/44/484358244.db2.gz YOWLLGDFBAUNIG-NEPJUHHUSA-N -1 0 374.459 -0.019 20 0 FBADRM CC(C)(C)[C@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424513914 484358511 /nfs/dbraw/zinc/35/85/11/484358511.db2.gz YOWLLGDFBAUNIG-NWDGAFQWSA-N -1 0 374.459 -0.019 20 0 FBADRM CC(C)(C)[C@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424513917 484358959 /nfs/dbraw/zinc/35/89/59/484358959.db2.gz YOWLLGDFBAUNIG-RYUDHWBXSA-N -1 0 374.459 -0.019 20 0 FBADRM CC(C)(C)[C@@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424513919 484358969 /nfs/dbraw/zinc/35/89/69/484358969.db2.gz YOWLLGDFBAUNIG-VXGBXAGGSA-N -1 0 374.459 -0.019 20 0 FBADRM C[C@@H](c1ccco1)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424513926 484358605 /nfs/dbraw/zinc/35/86/05/484358605.db2.gz YPESAHZDXREHLO-GXSJLCMTSA-N -1 0 358.372 -0.491 20 0 FBADRM C[C@H](c1ccco1)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424513929 484358271 /nfs/dbraw/zinc/35/82/71/484358271.db2.gz YPESAHZDXREHLO-KOLCDFICSA-N -1 0 358.372 -0.491 20 0 FBADRM C[C@H](c1ccco1)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424513931 484358462 /nfs/dbraw/zinc/35/84/62/484358462.db2.gz YPESAHZDXREHLO-MWLCHTKSSA-N -1 0 358.372 -0.491 20 0 FBADRM C[C@@H](c1ccco1)N(C)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424513933 484358264 /nfs/dbraw/zinc/35/82/64/484358264.db2.gz YPESAHZDXREHLO-ONGXEEELSA-N -1 0 358.372 -0.491 20 0 FBADRM Cc1ccc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000424513941 484359058 /nfs/dbraw/zinc/35/90/58/484359058.db2.gz FMSOXAIUSBWQHW-CYBMUJFWSA-N -1 0 368.411 -0.370 20 0 FBADRM Cc1ccc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c(C)c1 ZINC000424513947 484359025 /nfs/dbraw/zinc/35/90/25/484359025.db2.gz FMSOXAIUSBWQHW-ZDUSSCGKSA-N -1 0 368.411 -0.370 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2cccc(F)c2)CCS1(=O)=O ZINC000424514166 484358743 /nfs/dbraw/zinc/35/87/43/484358743.db2.gz FVCNAAXBWMUHNC-LLVKDONJSA-N -1 0 358.347 -0.848 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2cccc(F)c2)CCS1(=O)=O ZINC000424514167 484358420 /nfs/dbraw/zinc/35/84/20/484358420.db2.gz FVCNAAXBWMUHNC-NSHDSACASA-N -1 0 358.347 -0.848 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC2CCC(F)(F)CC2)CCS1(=O)=O ZINC000424514191 484358710 /nfs/dbraw/zinc/35/87/10/484358710.db2.gz GCCBDTBQCSWBMC-SECBINFHSA-N -1 0 368.358 -0.609 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC2CCC(F)(F)CC2)CCS1(=O)=O ZINC000424514192 484358569 /nfs/dbraw/zinc/35/85/69/484358569.db2.gz GCCBDTBQCSWBMC-VIFPVBQESA-N -1 0 368.358 -0.609 20 0 FBADRM CN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424514292 484358558 /nfs/dbraw/zinc/35/85/58/484358558.db2.gz ZKCJVUWYCDHNTN-GFCCVEGCSA-N -1 0 372.374 -0.506 20 0 FBADRM CN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424514293 484358296 /nfs/dbraw/zinc/35/82/96/484358296.db2.gz ZKCJVUWYCDHNTN-LBPRGKRZSA-N -1 0 372.374 -0.506 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CC[C@@H]2c2ccccc2)CCS1(=O)=O ZINC000424514317 484358493 /nfs/dbraw/zinc/35/84/93/484358493.db2.gz ZMHJICQTFLEQSM-CHWSQXEVSA-N -1 0 366.395 -0.330 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]2c2ccccc2)CCS1(=O)=O ZINC000424514318 484358951 /nfs/dbraw/zinc/35/89/51/484358951.db2.gz ZMHJICQTFLEQSM-OLZOCXBDSA-N -1 0 366.395 -0.330 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CC[C@H]2c2ccccc2)CCS1(=O)=O ZINC000424514319 484359003 /nfs/dbraw/zinc/35/90/03/484359003.db2.gz ZMHJICQTFLEQSM-QWHCGFSZSA-N -1 0 366.395 -0.330 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CC[C@H]2c2ccccc2)CCS1(=O)=O ZINC000424514320 484358399 /nfs/dbraw/zinc/35/83/99/484358399.db2.gz ZMHJICQTFLEQSM-STQMWFEESA-N -1 0 366.395 -0.330 20 0 FBADRM C[C@@H]1CCC[C@H](N(C)C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424514333 484358691 /nfs/dbraw/zinc/35/86/91/484358691.db2.gz ZOWICQHWIHCKOC-GRYCIOLGSA-N -1 0 360.432 -0.266 20 0 FBADRM C[C@@H]1CCC[C@@H](N(C)C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424514334 484358887 /nfs/dbraw/zinc/35/88/87/484358887.db2.gz ZOWICQHWIHCKOC-IJLUTSLNSA-N -1 0 360.432 -0.266 20 0 FBADRM C[C@@H]1CCC[C@@H](N(C)C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424514335 484358763 /nfs/dbraw/zinc/35/87/63/484358763.db2.gz ZOWICQHWIHCKOC-UTUOFQBUSA-N -1 0 360.432 -0.266 20 0 FBADRM C[C@@H]1CCC[C@H](N(C)C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424514336 484358838 /nfs/dbraw/zinc/35/88/38/484358838.db2.gz ZOWICQHWIHCKOC-WOPDTQHZSA-N -1 0 360.432 -0.266 20 0 FBADRM CC(C)C[C@H]1CCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424514337 484358783 /nfs/dbraw/zinc/35/87/83/484358783.db2.gz ZPCGZWWVYJULQL-NEPJUHHUSA-N -1 0 360.432 -0.266 20 0 FBADRM CC(C)C[C@@H]1CCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424514338 484358715 /nfs/dbraw/zinc/35/87/15/484358715.db2.gz ZPCGZWWVYJULQL-NWDGAFQWSA-N -1 0 360.432 -0.266 20 0 FBADRM CC(C)C[C@@H]1CCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424514339 484358480 /nfs/dbraw/zinc/35/84/80/484358480.db2.gz ZPCGZWWVYJULQL-RYUDHWBXSA-N -1 0 360.432 -0.266 20 0 FBADRM CC(C)C[C@H]1CCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424514340 484358305 /nfs/dbraw/zinc/35/83/05/484358305.db2.gz ZPCGZWWVYJULQL-VXGBXAGGSA-N -1 0 360.432 -0.266 20 0 FBADRM CN(CC1CCCCC1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424514351 484358672 /nfs/dbraw/zinc/35/86/72/484358672.db2.gz ZQNLZBQHFQBJDJ-GFCCVEGCSA-N -1 0 360.432 -0.265 20 0 FBADRM CN(CC1CCCCC1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424514352 484358633 /nfs/dbraw/zinc/35/86/33/484358633.db2.gz ZQNLZBQHFQBJDJ-LBPRGKRZSA-N -1 0 360.432 -0.265 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCCS(=O)(=O)NC(C)C)C(=O)[O-] ZINC000424514684 485206545 /nfs/dbraw/zinc/20/65/45/485206545.db2.gz GTZXNRYNFLYQJF-LLVKDONJSA-N -1 0 365.452 -0.707 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)NC(C)C)C(=O)[O-] ZINC000424514690 485206483 /nfs/dbraw/zinc/20/64/83/485206483.db2.gz GTZXNRYNFLYQJF-NSHDSACASA-N -1 0 365.452 -0.707 20 0 FBADRM C[C@@H]1CCCC[C@H]1CNC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424516271 484358522 /nfs/dbraw/zinc/35/85/22/484358522.db2.gz JFXYJLVQRKVULD-GRYCIOLGSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424516272 484358453 /nfs/dbraw/zinc/35/84/53/484358453.db2.gz JFXYJLVQRKVULD-IJLUTSLNSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424516274 484358254 /nfs/dbraw/zinc/35/82/54/484358254.db2.gz JFXYJLVQRKVULD-UTUOFQBUSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@@H]1CCCC[C@H]1CNC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424516276 484358978 /nfs/dbraw/zinc/35/89/78/484358978.db2.gz JFXYJLVQRKVULD-WOPDTQHZSA-N -1 0 360.432 -0.361 20 0 FBADRM Cc1cccc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424516413 484358733 /nfs/dbraw/zinc/35/87/33/484358733.db2.gz JQFMFTIFNCCXKF-GFCCVEGCSA-N -1 0 354.384 -0.679 20 0 FBADRM Cc1cccc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424516414 484358575 /nfs/dbraw/zinc/35/85/75/484358575.db2.gz JQFMFTIFNCCXKF-LBPRGKRZSA-N -1 0 354.384 -0.679 20 0 FBADRM Cc1ccc([C@H](C)NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1 ZINC000424517468 484358225 /nfs/dbraw/zinc/35/82/25/484358225.db2.gz LIUJUMKTRZKJTL-AAEUAGOBSA-N -1 0 368.411 -0.118 20 0 FBADRM Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1 ZINC000424517470 484358828 /nfs/dbraw/zinc/35/88/28/484358828.db2.gz LIUJUMKTRZKJTL-DGCLKSJQSA-N -1 0 368.411 -0.118 20 0 FBADRM Cc1ccc([C@H](C)NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1 ZINC000424517471 484358996 /nfs/dbraw/zinc/35/89/96/484358996.db2.gz LIUJUMKTRZKJTL-WCQYABFASA-N -1 0 368.411 -0.118 20 0 FBADRM Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1 ZINC000424517472 484358547 /nfs/dbraw/zinc/35/85/47/484358547.db2.gz LIUJUMKTRZKJTL-YPMHNXCESA-N -1 0 368.411 -0.118 20 0 FBADRM CC(C)(CCNC(=O)C(=O)NCc1cccc(OCC(N)=O)c1)C(=O)[O-] ZINC000424517484 485206537 /nfs/dbraw/zinc/20/65/37/485206537.db2.gz LKZLKPUDSYAPOT-UHFFFAOYSA-N -1 0 365.386 -0.216 20 0 FBADRM CC(C)(CCNC(=O)C(=O)NCCNC(=O)c1cccnc1)C(=O)[O-] ZINC000424519233 485208021 /nfs/dbraw/zinc/20/80/21/485208021.db2.gz NVRQKXUOCORJQD-UHFFFAOYSA-N -1 0 350.375 -0.455 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C1CCCCC1 ZINC000424519250 484358794 /nfs/dbraw/zinc/35/87/94/484358794.db2.gz NWHZHHCLSDPQEW-CMPLNLGQSA-N -1 0 360.432 -0.218 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C1CCCCC1 ZINC000424519253 484358686 /nfs/dbraw/zinc/35/86/86/484358686.db2.gz NWHZHHCLSDPQEW-JQWIXIFHSA-N -1 0 360.432 -0.218 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C1CCCCC1 ZINC000424519256 484358918 /nfs/dbraw/zinc/35/89/18/484358918.db2.gz NWHZHHCLSDPQEW-PWSUYJOCSA-N -1 0 360.432 -0.218 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C1CCCCC1 ZINC000424519259 484358385 /nfs/dbraw/zinc/35/83/85/484358385.db2.gz NWHZHHCLSDPQEW-ZYHUDNBSSA-N -1 0 360.432 -0.218 20 0 FBADRM CCN(CCCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])S(C)(=O)=O ZINC000424520214 485207794 /nfs/dbraw/zinc/20/77/94/485207794.db2.gz PIIXLSAKWMUZEL-UHFFFAOYSA-N -1 0 365.452 -0.609 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424520218 485208440 /nfs/dbraw/zinc/20/84/40/485208440.db2.gz PJRWOUXSHBTRCP-UHFFFAOYSA-N -1 0 351.425 -0.953 20 0 FBADRM Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC2 ZINC000424521078 485207695 /nfs/dbraw/zinc/20/76/95/485207695.db2.gz QKIQEPOGNISIFB-NEPJUHHUSA-N -1 0 351.407 -0.119 20 0 FBADRM Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC2 ZINC000424521079 485207602 /nfs/dbraw/zinc/20/76/02/485207602.db2.gz QKIQEPOGNISIFB-NWDGAFQWSA-N -1 0 351.407 -0.119 20 0 FBADRM Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC2 ZINC000424521080 485208444 /nfs/dbraw/zinc/20/84/44/485208444.db2.gz QKIQEPOGNISIFB-RYUDHWBXSA-N -1 0 351.407 -0.119 20 0 FBADRM Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC2 ZINC000424521082 485207703 /nfs/dbraw/zinc/20/77/03/485207703.db2.gz QKIQEPOGNISIFB-VXGBXAGGSA-N -1 0 351.407 -0.119 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)NC1CCN(C(=O)COC)CC1)C(=O)[O-] ZINC000424521359 485207508 /nfs/dbraw/zinc/20/75/08/485207508.db2.gz QSIPGAJHVKHUES-UHFFFAOYSA-N -1 0 371.434 -0.253 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCCNC(=O)c1cnccn1)C(=O)[O-] ZINC000424522171 485209135 /nfs/dbraw/zinc/20/91/35/485209135.db2.gz RMVIIXJBLMPURL-LLVKDONJSA-N -1 0 365.390 -0.814 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCCNC(=O)c1cnccn1)C(=O)[O-] ZINC000424522172 485209326 /nfs/dbraw/zinc/20/93/26/485209326.db2.gz RMVIIXJBLMPURL-NSHDSACASA-N -1 0 365.390 -0.814 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424523359 485208165 /nfs/dbraw/zinc/20/81/65/485208165.db2.gz TXDHMBHDXAYIPF-UHFFFAOYSA-N -1 0 365.452 -0.609 20 0 FBADRM CCc1ccc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)s1 ZINC000424523718 484362988 /nfs/dbraw/zinc/36/29/88/484362988.db2.gz UFIZEVGVCSXBRX-LLVKDONJSA-N -1 0 374.440 -0.363 20 0 FBADRM CCc1ccc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)s1 ZINC000424523724 484363778 /nfs/dbraw/zinc/36/37/78/484363778.db2.gz UFIZEVGVCSXBRX-NSHDSACASA-N -1 0 374.440 -0.363 20 0 FBADRM CCN(CC)S(=O)(=O)CCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424523819 485209377 /nfs/dbraw/zinc/20/93/77/485209377.db2.gz UOOSRRGBWBLNSH-UHFFFAOYSA-N -1 0 365.452 -0.609 20 0 FBADRM Cc1cccc(CCNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424524310 484363054 /nfs/dbraw/zinc/36/30/54/484363054.db2.gz VBNOSIZGANJMBD-CYBMUJFWSA-N -1 0 368.411 -0.636 20 0 FBADRM Cc1cccc(CCNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424524313 484362871 /nfs/dbraw/zinc/36/28/71/484362871.db2.gz VBNOSIZGANJMBD-ZDUSSCGKSA-N -1 0 368.411 -0.636 20 0 FBADRM Cc1ccc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)s1 ZINC000424524416 484363519 /nfs/dbraw/zinc/36/35/19/484363519.db2.gz VFKYOMFTXHAJTN-JTQLQIEISA-N -1 0 360.413 -0.617 20 0 FBADRM Cc1ccc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)s1 ZINC000424524418 484363438 /nfs/dbraw/zinc/36/34/38/484363438.db2.gz VFKYOMFTXHAJTN-SNVBAGLBSA-N -1 0 360.413 -0.617 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@H]2CCCc3occc32)CCS1(=O)=O ZINC000424526044 484363408 /nfs/dbraw/zinc/36/34/08/484363408.db2.gz WMOUEGAKGJGZMS-CMPLNLGQSA-N -1 0 370.383 -0.517 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCc3occc32)CCS1(=O)=O ZINC000424526048 484363012 /nfs/dbraw/zinc/36/30/12/484363012.db2.gz WMOUEGAKGJGZMS-JQWIXIFHSA-N -1 0 370.383 -0.517 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCc3occc32)CCS1(=O)=O ZINC000424526053 484363460 /nfs/dbraw/zinc/36/34/60/484363460.db2.gz WMOUEGAKGJGZMS-PWSUYJOCSA-N -1 0 370.383 -0.517 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCc3occc32)CCS1(=O)=O ZINC000424526058 484362908 /nfs/dbraw/zinc/36/29/08/484362908.db2.gz WMOUEGAKGJGZMS-ZYHUDNBSSA-N -1 0 370.383 -0.517 20 0 FBADRM CC1CCC(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1 ZINC000424527915 484363360 /nfs/dbraw/zinc/36/33/60/484363360.db2.gz YCXCTSHRRKBBOH-HTAVTVPLSA-N -1 0 360.432 -0.361 20 0 FBADRM CC1CCC(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1 ZINC000424527923 484362777 /nfs/dbraw/zinc/36/27/77/484362777.db2.gz YCXCTSHRRKBBOH-MCIGGMRASA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@@H]1CCC[C@H](CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424528491 484363513 /nfs/dbraw/zinc/36/35/13/484363513.db2.gz YNGPLVZVOMGKFF-GRYCIOLGSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424528492 484363756 /nfs/dbraw/zinc/36/37/56/484363756.db2.gz YNGPLVZVOMGKFF-IJLUTSLNSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424528494 484363661 /nfs/dbraw/zinc/36/36/61/484363661.db2.gz YNGPLVZVOMGKFF-UTUOFQBUSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@@H]1CCC[C@H](CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424528495 484363470 /nfs/dbraw/zinc/36/34/70/484363470.db2.gz YNGPLVZVOMGKFF-WOPDTQHZSA-N -1 0 360.432 -0.361 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)NCCNC(=O)c1cccnc1)C(=O)[O-] ZINC000424529009 485212611 /nfs/dbraw/zinc/21/26/11/485212611.db2.gz YZKVXLOHMJVPIJ-UHFFFAOYSA-N -1 0 364.402 -0.065 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000424529115 485212974 /nfs/dbraw/zinc/21/29/74/485212974.db2.gz ZHEHFHBWVNHFCT-JTQLQIEISA-N -1 0 363.436 -0.856 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000424529120 485213475 /nfs/dbraw/zinc/21/34/75/485213475.db2.gz ZHEHFHBWVNHFCT-SNVBAGLBSA-N -1 0 363.436 -0.856 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCc2ccsc2)CCS1(=O)=O ZINC000424529662 484363682 /nfs/dbraw/zinc/36/36/82/484363682.db2.gz ZPXYAUKKEXVQFK-JTQLQIEISA-N -1 0 360.413 -0.883 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCc2ccsc2)CCS1(=O)=O ZINC000424529663 484363787 /nfs/dbraw/zinc/36/37/87/484363787.db2.gz ZPXYAUKKEXVQFK-SNVBAGLBSA-N -1 0 360.413 -0.883 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCCC2CCCC2)CCS1(=O)=O ZINC000424529709 484362860 /nfs/dbraw/zinc/36/28/60/484362860.db2.gz ZUYWPPBJBJKOQS-GFCCVEGCSA-N -1 0 360.432 -0.217 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCCC2CCCC2)CCS1(=O)=O ZINC000424529713 484363030 /nfs/dbraw/zinc/36/30/30/484363030.db2.gz ZUYWPPBJBJKOQS-LBPRGKRZSA-N -1 0 360.432 -0.217 20 0 FBADRM CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000424605534 485250748 /nfs/dbraw/zinc/25/07/48/485250748.db2.gz WHKLOMFXGXIQFJ-UHFFFAOYSA-N -1 0 369.399 -0.299 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NCCN2CCS(=O)(=O)CC2)c1 ZINC000424611930 485253726 /nfs/dbraw/zinc/25/37/26/485253726.db2.gz FJIBSXKBONETHG-HSZRJFAPSA-N -1 0 374.484 -0.351 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NCCN2CCS(=O)(=O)CC2)c1 ZINC000424611932 485253996 /nfs/dbraw/zinc/25/39/96/485253996.db2.gz FJIBSXKBONETHG-QHCPKHFHSA-N -1 0 374.484 -0.351 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NCCN2CCCS2(=O)=O)c1 ZINC000424628972 485255651 /nfs/dbraw/zinc/25/56/51/485255651.db2.gz QGPNXSHTRMPNIK-JOCHJYFZSA-N -1 0 360.457 -0.046 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NCCN2CCCS2(=O)=O)c1 ZINC000424628977 485256371 /nfs/dbraw/zinc/25/63/71/485256371.db2.gz QGPNXSHTRMPNIK-QFIPXVFZSA-N -1 0 360.457 -0.046 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CCN(S(N)(=O)=O)CC2)c1 ZINC000424643654 485266407 /nfs/dbraw/zinc/26/64/07/485266407.db2.gz MGPJWTMQEGZIOE-JOCHJYFZSA-N -1 0 361.445 -0.850 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CCN(S(N)(=O)=O)CC2)c1 ZINC000424643657 485266229 /nfs/dbraw/zinc/26/62/29/485266229.db2.gz MGPJWTMQEGZIOE-QFIPXVFZSA-N -1 0 361.445 -0.850 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NCCCN2C(=O)CNC2=O)c1 ZINC000424664633 485268173 /nfs/dbraw/zinc/26/81/73/485268173.db2.gz PFGMKGFTMCTBJG-DEOSSOPVSA-N -1 0 353.400 -0.139 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NCCCN2C(=O)CNC2=O)c1 ZINC000424664634 485268147 /nfs/dbraw/zinc/26/81/47/485268147.db2.gz PFGMKGFTMCTBJG-XMMPIXPASA-N -1 0 353.400 -0.139 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000424684409 485268331 /nfs/dbraw/zinc/26/83/31/485268331.db2.gz ZAEMKSRYSPAJHV-KPWVOAKYSA-N -1 0 360.457 -0.047 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000424684410 485268274 /nfs/dbraw/zinc/26/82/74/485268274.db2.gz ZAEMKSRYSPAJHV-RKFFSXRUSA-N -1 0 360.457 -0.047 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000424684411 485268710 /nfs/dbraw/zinc/26/87/10/485268710.db2.gz ZAEMKSRYSPAJHV-SAHAZLINSA-N -1 0 360.457 -0.047 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000424684412 485268415 /nfs/dbraw/zinc/26/84/15/485268415.db2.gz ZAEMKSRYSPAJHV-XFNZEKPQSA-N -1 0 360.457 -0.047 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N(C)C[C@@H](O)CN2CCOCC2)c1 ZINC000424716205 485270755 /nfs/dbraw/zinc/27/07/55/485270755.db2.gz VGMNCDYXOJDTQC-DLUDVSRJSA-N -1 0 370.471 -0.046 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N(C)C[C@H](O)CN2CCOCC2)c1 ZINC000424716207 485271053 /nfs/dbraw/zinc/27/10/53/485271053.db2.gz VGMNCDYXOJDTQC-HWRSSNJWSA-N -1 0 370.471 -0.046 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N(C)C[C@@H](O)CN2CCOCC2)c1 ZINC000424716210 485270697 /nfs/dbraw/zinc/27/06/97/485270697.db2.gz VGMNCDYXOJDTQC-PWECECGKSA-N -1 0 370.471 -0.046 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N(C)C[C@H](O)CN2CCOCC2)c1 ZINC000424716212 485271281 /nfs/dbraw/zinc/27/12/81/485271281.db2.gz VGMNCDYXOJDTQC-SXBQZSJRSA-N -1 0 370.471 -0.046 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N(CCO)CCN2CCOCC2)c1 ZINC000424739071 485271506 /nfs/dbraw/zinc/27/15/06/485271506.db2.gz NLOPYDJGOQMECX-RUZDIDTESA-N -1 0 370.471 -0.044 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N(CCO)CCN2CCOCC2)c1 ZINC000424739072 485270939 /nfs/dbraw/zinc/27/09/39/485270939.db2.gz NLOPYDJGOQMECX-VWLOTQADSA-N -1 0 370.471 -0.044 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CCN(C(=O)[C@H](C)O)CC2)c1 ZINC000424747560 485276730 /nfs/dbraw/zinc/27/67/30/485276730.db2.gz NGYQSHDRNNGAHN-FNODVLLQSA-N -1 0 354.428 -0.146 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CCN(C(=O)[C@H](C)O)CC2)c1 ZINC000424747561 485276393 /nfs/dbraw/zinc/27/63/93/485276393.db2.gz NGYQSHDRNNGAHN-MCFWBGNESA-N -1 0 354.428 -0.146 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CCN(C(=O)[C@@H](C)O)CC2)c1 ZINC000424747562 485276496 /nfs/dbraw/zinc/27/64/96/485276496.db2.gz NGYQSHDRNNGAHN-OIRASMEMSA-N -1 0 354.428 -0.146 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CCN(C(=O)[C@@H](C)O)CC2)c1 ZINC000424747564 485276224 /nfs/dbraw/zinc/27/62/24/485276224.db2.gz NGYQSHDRNNGAHN-YYUOZPCZSA-N -1 0 354.428 -0.146 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CC(n3cc(C(N)=O)nn3)C2)c1 ZINC000424775703 485317792 /nfs/dbraw/zinc/31/77/92/485317792.db2.gz BMIKMMICBLTNOW-RUZDIDTESA-N -1 0 363.399 -0.423 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CC(n3cc(C(N)=O)nn3)C2)c1 ZINC000424775707 485318182 /nfs/dbraw/zinc/31/81/82/485318182.db2.gz BMIKMMICBLTNOW-VWLOTQADSA-N -1 0 363.399 -0.423 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NCCOCCS(N)(=O)=O)c1 ZINC000424822867 484658426 /nfs/dbraw/zinc/65/84/26/484658426.db2.gz AMXAXIXPPUOAFC-JOCHJYFZSA-N -1 0 364.445 -0.776 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NCCOCCS(N)(=O)=O)c1 ZINC000424822868 484658156 /nfs/dbraw/zinc/65/81/56/484658156.db2.gz AMXAXIXPPUOAFC-QFIPXVFZSA-N -1 0 364.445 -0.776 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NCCNS(=O)(=O)N(C)C)c1 ZINC000424840555 484659776 /nfs/dbraw/zinc/65/97/76/484659776.db2.gz QFRVUAVYKUOTGR-JOCHJYFZSA-N -1 0 363.461 -0.685 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NCCNS(=O)(=O)N(C)C)c1 ZINC000424840559 484660098 /nfs/dbraw/zinc/66/00/98/484660098.db2.gz QFRVUAVYKUOTGR-QFIPXVFZSA-N -1 0 363.461 -0.685 20 0 FBADRM C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)[C@@H]2C1 ZINC000425057975 484647186 /nfs/dbraw/zinc/64/71/86/484647186.db2.gz NVIAOARLCFHXSU-WDEREUQCSA-N -1 0 370.431 -0.791 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)c1 ZINC000425073396 484647959 /nfs/dbraw/zinc/64/79/59/484647959.db2.gz MWFJTIDUXHQPCT-LLVKDONJSA-N -1 0 369.399 -0.480 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2CCC(=O)N(C)C2=O)c1 ZINC000425073398 484648266 /nfs/dbraw/zinc/64/82/66/484648266.db2.gz MWFJTIDUXHQPCT-NSHDSACASA-N -1 0 369.399 -0.480 20 0 FBADRM CCOC(=O)Cn1cnc([N-]C(=O)c2ccc(S(=O)(=O)N(C)C)o2)n1 ZINC000425106881 484399701 /nfs/dbraw/zinc/39/97/01/484399701.db2.gz NMNLAZVKRRSZRV-UHFFFAOYSA-N -1 0 371.375 -0.063 20 0 FBADRM CCOC(=O)Cn1cnc(NC(=O)c2coc(S(=O)(=O)NC)c2)n1 ZINC000425108697 484653168 /nfs/dbraw/zinc/65/31/68/484653168.db2.gz RARWTYOUGJLGFR-UHFFFAOYSA-N -1 0 357.348 -0.405 20 0 FBADRM CCOC(=O)Cn1cnc([N-]C(=O)c2ccc(S(=O)(=O)NC)o2)n1 ZINC000425109163 484399017 /nfs/dbraw/zinc/39/90/17/484399017.db2.gz SFKBTDNRXTXZPZ-UHFFFAOYSA-N -1 0 357.348 -0.405 20 0 FBADRM CN1CC[C@@H](CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1=O ZINC000425182900 484659949 /nfs/dbraw/zinc/65/99/49/484659949.db2.gz LBZRJGYAMBHVSZ-MRVPVSSYSA-N -1 0 367.387 -0.417 20 0 FBADRM CN1CC[C@H](CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1=O ZINC000425182907 484660064 /nfs/dbraw/zinc/66/00/64/484660064.db2.gz LBZRJGYAMBHVSZ-QMMMGPOBSA-N -1 0 367.387 -0.417 20 0 FBADRM CCC(=O)N1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000425205947 484662656 /nfs/dbraw/zinc/66/26/56/484662656.db2.gz WLEILMXTPUOKLO-UHFFFAOYSA-N -1 0 353.360 -0.364 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCC(=O)N(C)C1=O ZINC000425219163 484664445 /nfs/dbraw/zinc/66/44/45/484664445.db2.gz GEPMUBFWSUJMLE-HTQZYQBOSA-N -1 0 374.337 -0.063 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1CCC(=O)N(C)C1=O ZINC000425219165 484664559 /nfs/dbraw/zinc/66/45/59/484664559.db2.gz GEPMUBFWSUJMLE-JGVFFNPUSA-N -1 0 374.337 -0.063 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCC(=O)N(C)C1=O ZINC000425219166 484664520 /nfs/dbraw/zinc/66/45/20/484664520.db2.gz GEPMUBFWSUJMLE-SFYZADRCSA-N -1 0 374.337 -0.063 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1CCC(=O)N(C)C1=O ZINC000425219168 484664537 /nfs/dbraw/zinc/66/45/37/484664537.db2.gz GEPMUBFWSUJMLE-YUMQZZPRSA-N -1 0 374.337 -0.063 20 0 FBADRM Cn1ccc(=O)n(CCCNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c1=O ZINC000425277232 484670288 /nfs/dbraw/zinc/67/02/88/484670288.db2.gz XFUFAENUJXTBKA-UHFFFAOYSA-N -1 0 372.341 -0.884 20 0 FBADRM CCOC(=O)Cn1cnc(=NC(=O)N=c2ccn(CCN(C)C)[nH]2)[n-]1 ZINC000425696460 484664726 /nfs/dbraw/zinc/66/47/26/484664726.db2.gz AWFSQSOMHOWYGR-UHFFFAOYSA-N -1 0 350.383 -0.913 20 0 FBADRM CCOC(=O)Cn1cnc(=NC(=O)N=c2cc(OC(F)F)n(C)[nH]2)[n-]1 ZINC000425699756 484669611 /nfs/dbraw/zinc/66/96/11/484669611.db2.gz AETQFWHMNODQHY-UHFFFAOYSA-N -1 0 359.293 -0.336 20 0 FBADRM CCOC(=O)Cn1cnc(=NC(=O)N=c2[nH]n(CCCOC)cc2C)[n-]1 ZINC000425700298 484669795 /nfs/dbraw/zinc/66/97/95/484669795.db2.gz ATPXDRFTMMADET-UHFFFAOYSA-N -1 0 365.394 -0.130 20 0 FBADRM CCOC(=O)Cn1cnc(=NC(=O)N=c2cc([C@H]3CCCOC3)[nH][nH]2)[n-]1 ZINC000425709647 485321865 /nfs/dbraw/zinc/32/18/65/485321865.db2.gz JXTAEFPKXCQJOW-JTQLQIEISA-N -1 0 363.378 -0.054 20 0 FBADRM CCOC(=O)Cn1cnc(=NC(=O)N=c2cc([C@@H]3CCCOC3)[nH][nH]2)[n-]1 ZINC000425709648 485321713 /nfs/dbraw/zinc/32/17/13/485321713.db2.gz JXTAEFPKXCQJOW-SNVBAGLBSA-N -1 0 363.378 -0.054 20 0 FBADRM CCOC(=O)Cn1cnc(=NC(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)[n-]1 ZINC000425711280 484504829 /nfs/dbraw/zinc/50/48/29/484504829.db2.gz MLGYJKJZQWKFKK-LLVKDONJSA-N -1 0 374.405 0.047 20 0 FBADRM CCOC(=O)Cn1cnc(=NC(=O)N2CCC[C@H](c3ccnc(N)n3)C2)[n-]1 ZINC000425711283 484505389 /nfs/dbraw/zinc/50/53/89/484505389.db2.gz MLGYJKJZQWKFKK-NSHDSACASA-N -1 0 374.405 0.047 20 0 FBADRM CCOC(=O)Cn1cnc(=NC(=O)N=c2ccn([C@@H](C)COC)[nH]2)[n-]1 ZINC000425712662 485322048 /nfs/dbraw/zinc/32/20/48/485322048.db2.gz PHQADWWLGJSIFN-JTQLQIEISA-N -1 0 351.367 -0.267 20 0 FBADRM CCOC(=O)Cn1cnc(=NC(=O)N=c2ccn([C@H](C)COC)[nH]2)[n-]1 ZINC000425712664 485321614 /nfs/dbraw/zinc/32/16/14/485321614.db2.gz PHQADWWLGJSIFN-SNVBAGLBSA-N -1 0 351.367 -0.267 20 0 FBADRM CCOC(=O)Cn1cnc(=NC(=O)N=c2cc(C3CCOCC3)[nH][nH]2)[n-]1 ZINC000425716258 485322142 /nfs/dbraw/zinc/32/21/42/485322142.db2.gz UOFRCAOKZMRLGI-UHFFFAOYSA-N -1 0 363.378 -0.054 20 0 FBADRM CCOC(=O)Cn1cnc(=NC(=O)N=c2ccn(Cc3ccncc3)[nH]2)[n-]1 ZINC000425716723 485322183 /nfs/dbraw/zinc/32/21/83/485322183.db2.gz VHABXBUECDXWJD-UHFFFAOYSA-N -1 0 370.373 -0.031 20 0 FBADRM CCCCc1cc(=NC(=O)C(=O)N=c2ncn(CC(=O)OCC)[n-]2)[nH][nH]1 ZINC000425755900 485321752 /nfs/dbraw/zinc/32/17/52/485321752.db2.gz LUKOMEOBILQRAY-UHFFFAOYSA-N -1 0 363.378 -0.672 20 0 FBADRM CN1C(=O)CC[C@@H](NC(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)C1=O ZINC000425826912 485324641 /nfs/dbraw/zinc/32/46/41/485324641.db2.gz RILDOWSXIBJKRU-SSDOTTSWSA-N -1 0 353.404 -0.540 20 0 FBADRM CN1C(=O)CC[C@H](NC(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)C1=O ZINC000425826913 485324437 /nfs/dbraw/zinc/32/44/37/485324437.db2.gz RILDOWSXIBJKRU-ZETCQYMHSA-N -1 0 353.404 -0.540 20 0 FBADRM CN1C(=O)CC[C@H](NC(=O)C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1=O ZINC000425829785 485325615 /nfs/dbraw/zinc/32/56/15/485325615.db2.gz ZXOHKWOVEDAKRH-JTQLQIEISA-N -1 0 373.394 -0.171 20 0 FBADRM CN1C(=O)CC[C@@H](NC(=O)C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1=O ZINC000425829786 485325540 /nfs/dbraw/zinc/32/55/40/485325540.db2.gz ZXOHKWOVEDAKRH-SNVBAGLBSA-N -1 0 373.394 -0.171 20 0 FBADRM CCOC(=O)c1cn(C)[n-]c1=NC(=O)C(=O)N=c1cc(CC(C)C)[nH][nH]1 ZINC000426234927 485335326 /nfs/dbraw/zinc/33/53/26/485335326.db2.gz BJOHECRCTVVTFD-UHFFFAOYSA-N -1 0 362.390 -0.061 20 0 FBADRM C[C@@]1(c2cccc(C(=O)NCCCc3n[nH]c(=O)[n-]3)c2)NC(=O)NC1=O ZINC000426643841 485339734 /nfs/dbraw/zinc/33/97/34/485339734.db2.gz SVFPMHSAPQZGML-INIZCTEOSA-N -1 0 358.358 -0.073 20 0 FBADRM C[C@]1(c2cccc(C(=O)NCCCc3n[nH]c(=O)[n-]3)c2)NC(=O)NC1=O ZINC000426643842 485339845 /nfs/dbraw/zinc/33/98/45/485339845.db2.gz SVFPMHSAPQZGML-MRXNPFEDSA-N -1 0 358.358 -0.073 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)N[C@H](C(=O)[O-])c1ccccc1)c(=O)n2C ZINC000426691895 485339957 /nfs/dbraw/zinc/33/99/57/485339957.db2.gz MLLWXVLFYNNMCS-LBPRGKRZSA-N -1 0 371.353 -0.624 20 0 FBADRM Cn1c2ncn(CC(=O)N[C@H](C(=O)[O-])c3ccccc3)c2c(=O)n(C)c1=O ZINC000426694149 485340173 /nfs/dbraw/zinc/34/01/73/485340173.db2.gz AYZZJPMLEPHGTL-LBPRGKRZSA-N -1 0 371.353 -0.624 20 0 FBADRM Cc1cc(C(=O)NCCCn2cc(CO)nn2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000426694938 485339910 /nfs/dbraw/zinc/33/99/10/485339910.db2.gz GJNDNJSRDLEUFN-UHFFFAOYSA-N -1 0 359.346 -0.352 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000426696633 485339540 /nfs/dbraw/zinc/33/95/40/485339540.db2.gz PVZSSXSUMJQBBQ-ZDUSSCGKSA-N -1 0 352.372 -0.137 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000426697105 485339809 /nfs/dbraw/zinc/33/98/09/485339809.db2.gz VZKDBOLCNOJCCP-ZDUSSCGKSA-N -1 0 352.372 -0.360 20 0 FBADRM Cn1c2c(ccn2CC(=O)N[C@H](C(=O)[O-])c2ccccc2)c(=O)n(C)c1=O ZINC000426701045 485339931 /nfs/dbraw/zinc/33/99/31/485339931.db2.gz XIQDXUFXNSNBHZ-AWEZNQCLSA-N -1 0 370.365 -0.019 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c2ccccc2)cn1 ZINC000426701180 485339906 /nfs/dbraw/zinc/33/99/06/485339906.db2.gz YOMIDCZVIAEDNZ-ZDUSSCGKSA-N -1 0 352.372 -0.360 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c2ccccc2)cn1C ZINC000426706080 485340146 /nfs/dbraw/zinc/34/01/46/485340146.db2.gz YQCBVELIKXNJFO-AWEZNQCLSA-N -1 0 366.399 -0.051 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@H](C)C(=O)[O-])s1 ZINC000426707657 485339665 /nfs/dbraw/zinc/33/96/65/485339665.db2.gz BOWYTJVNWRTPHJ-SSDOTTSWSA-N -1 0 363.417 -0.748 20 0 FBADRM Cn1cc(N2CCN(C(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)CC2=O)cn1 ZINC000426852729 483819891 /nfs/dbraw/zinc/81/98/91/483819891.db2.gz BVXJFLDZSWVMAG-UHFFFAOYSA-N -1 0 369.341 -0.342 20 0 FBADRM COCCc1nc(=NCCS(=O)(=O)N2CCSCC2)s[n-]1 ZINC000426906323 483820153 /nfs/dbraw/zinc/82/01/53/483820153.db2.gz ZTWZHWWAOMMYPB-UHFFFAOYSA-N -1 0 352.507 -0.061 20 0 FBADRM CCOc1cc2c(cc1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1)OCCO2 ZINC000426946468 483820665 /nfs/dbraw/zinc/82/06/65/483820665.db2.gz VTEXBJYKSKUVOD-UHFFFAOYSA-N -1 0 363.330 -0.065 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cnc1C ZINC000427121530 483822097 /nfs/dbraw/zinc/82/20/97/483822097.db2.gz YZYTXUZHLRPGQQ-UHFFFAOYSA-N -1 0 353.360 -0.341 20 0 FBADRM Cc1c(S(=O)(=O)[N-]c2cccc(C(=O)NCC(N)=O)c2)cnn1C ZINC000427122285 483822153 /nfs/dbraw/zinc/82/21/53/483822153.db2.gz PWQJIZLEMMODGK-UHFFFAOYSA-N -1 0 351.388 -0.256 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cnc1C ZINC000427123350 483822175 /nfs/dbraw/zinc/82/21/75/483822175.db2.gz XBOJBAVUGLYTFY-UHFFFAOYSA-N -1 0 353.360 -0.341 20 0 FBADRM Cc1c(S(=O)(=O)[N-]c2ccc(C(=O)NCC(N)=O)cc2)cnn1C ZINC000427201070 483826524 /nfs/dbraw/zinc/82/65/24/483826524.db2.gz WGTHSWDATPJJFU-UHFFFAOYSA-N -1 0 351.388 -0.256 20 0 FBADRM COC(=O)[C@@H](CNS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1)OC ZINC000427240862 483826685 /nfs/dbraw/zinc/82/66/85/483826685.db2.gz FJOSVQCSTDQKTO-LLVKDONJSA-N -1 0 365.335 -0.245 20 0 FBADRM COC(=O)[C@H](CNS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1)OC ZINC000427240863 483826991 /nfs/dbraw/zinc/82/69/91/483826991.db2.gz FJOSVQCSTDQKTO-NSHDSACASA-N -1 0 365.335 -0.245 20 0 FBADRM COC(=O)[C@@H](CNS(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1)OC ZINC000427241074 483826921 /nfs/dbraw/zinc/82/69/21/483826921.db2.gz AGTBYZFVJKUDCP-GFCCVEGCSA-N -1 0 361.372 -0.075 20 0 FBADRM COC(=O)[C@H](CNS(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1)OC ZINC000427241075 483826916 /nfs/dbraw/zinc/82/69/16/483826916.db2.gz AGTBYZFVJKUDCP-LBPRGKRZSA-N -1 0 361.372 -0.075 20 0 FBADRM CCCN(CC(N)=O)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000427255378 483827377 /nfs/dbraw/zinc/82/73/77/483827377.db2.gz DMTRTZJLGURYEG-UHFFFAOYSA-N -1 0 357.388 -0.613 20 0 FBADRM COCCNC(=O)Cn1cc([N-]S(=O)(=O)c2cnn(C)c2C)cn1 ZINC000427270677 483828259 /nfs/dbraw/zinc/82/82/59/483828259.db2.gz WXPVRDQHNBWYMM-UHFFFAOYSA-N -1 0 356.408 -0.512 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)C(=O)[O-])s1 ZINC000427293944 483829283 /nfs/dbraw/zinc/82/92/83/483829283.db2.gz BOWYTJVNWRTPHJ-ZETCQYMHSA-N -1 0 363.417 -0.748 20 0 FBADRM CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCC(=O)[O-] ZINC000427312947 483829471 /nfs/dbraw/zinc/82/94/71/483829471.db2.gz HXBNFQHTRSABJO-AWEZNQCLSA-N -1 0 372.399 -0.039 20 0 FBADRM COC(=O)c1cc(S(N)(=O)=O)ccc1NCCCc1n[nH]c(=O)[n-]1 ZINC000427376955 483831798 /nfs/dbraw/zinc/83/17/98/483831798.db2.gz PBYFJYWQKNDBIO-UHFFFAOYSA-N -1 0 355.376 -0.011 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)CCN1CCO ZINC000427406459 483893956 /nfs/dbraw/zinc/89/39/56/483893956.db2.gz UPBFBTNOMXCGDS-JTQLQIEISA-N -1 0 355.464 -0.279 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)CCN1CCO ZINC000427406460 483894073 /nfs/dbraw/zinc/89/40/73/483894073.db2.gz UPBFBTNOMXCGDS-SNVBAGLBSA-N -1 0 355.464 -0.279 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cn2)c(=O)n(C)c1=O ZINC000427626242 483916370 /nfs/dbraw/zinc/91/63/70/483916370.db2.gz NDWSTUQRXKIDLK-UHFFFAOYSA-N -1 0 362.314 -0.119 20 0 FBADRM C[C@H](CC(=O)[O-])NC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000427673130 483922488 /nfs/dbraw/zinc/92/24/88/483922488.db2.gz QYHJCMFRZLHZQV-BXKDBHETSA-N -1 0 361.354 -0.104 20 0 FBADRM C[C@@H](CC(=O)[O-])NC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000427673131 483922605 /nfs/dbraw/zinc/92/26/05/483922605.db2.gz QYHJCMFRZLHZQV-CABZTGNLSA-N -1 0 361.354 -0.104 20 0 FBADRM C[C@@H](CC(=O)[O-])NC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000427673132 483921769 /nfs/dbraw/zinc/92/17/69/483921769.db2.gz QYHJCMFRZLHZQV-JOYOIKCWSA-N -1 0 361.354 -0.104 20 0 FBADRM C[C@H](CC(=O)[O-])NC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000427673133 483923615 /nfs/dbraw/zinc/92/36/15/483923615.db2.gz QYHJCMFRZLHZQV-SKDRFNHKSA-N -1 0 361.354 -0.104 20 0 FBADRM C[C@@H](CC(=O)[O-])NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000427723613 483931780 /nfs/dbraw/zinc/93/17/80/483931780.db2.gz ZHJCDLQAMIYUHR-JTQLQIEISA-N -1 0 369.399 -0.600 20 0 FBADRM C[C@H](CC(=O)[O-])NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000427723614 483930777 /nfs/dbraw/zinc/93/07/77/483930777.db2.gz ZHJCDLQAMIYUHR-SNVBAGLBSA-N -1 0 369.399 -0.600 20 0 FBADRM CN(CCCC(=O)[O-])C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000427737357 483934580 /nfs/dbraw/zinc/93/45/80/483934580.db2.gz SJPCUEGWYAHKKH-UHFFFAOYSA-N -1 0 351.363 -0.853 20 0 FBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N(C)CC(=O)[O-])CC1 ZINC000427747451 483936182 /nfs/dbraw/zinc/93/61/82/483936182.db2.gz JZUBSCNEEQPBLQ-UHFFFAOYSA-N -1 0 358.420 -0.030 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2cnc(C)c(C(=O)OC)c2)n1 ZINC000427751500 483938019 /nfs/dbraw/zinc/93/80/19/483938019.db2.gz FFNSPPFNNPSSNU-UHFFFAOYSA-N -1 0 369.359 -0.258 20 0 FBADRM C[C@H](CC(=O)[O-])NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000427757816 483938128 /nfs/dbraw/zinc/93/81/28/483938128.db2.gz KRIRRFRFDJOGBD-SSDOTTSWSA-N -1 0 351.344 -0.309 20 0 FBADRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000427757818 483938383 /nfs/dbraw/zinc/93/83/83/483938383.db2.gz KRIRRFRFDJOGBD-ZETCQYMHSA-N -1 0 351.344 -0.309 20 0 FBADRM CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@H](OC)C(=O)[O-])cnc21 ZINC000427758618 483940942 /nfs/dbraw/zinc/94/09/42/483940942.db2.gz CNSAGHIWZZLQQO-JTQLQIEISA-N -1 0 350.331 -0.264 20 0 FBADRM CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@@H](OC)C(=O)[O-])cnc21 ZINC000427758621 483940829 /nfs/dbraw/zinc/94/08/29/483940829.db2.gz CNSAGHIWZZLQQO-SNVBAGLBSA-N -1 0 350.331 -0.264 20 0 FBADRM CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)CCCC(=O)[O-] ZINC000427761886 483939941 /nfs/dbraw/zinc/93/99/41/483939941.db2.gz RGVAAYJITQDCCC-UHFFFAOYSA-N -1 0 351.425 -0.856 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2ncn(C)c2C(N)=O)cnc1C ZINC000427771129 483942076 /nfs/dbraw/zinc/94/20/76/483942076.db2.gz NVRUZERXNPKOQY-UHFFFAOYSA-N -1 0 353.360 -0.190 20 0 FBADRM CO[C@H](CNC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O)C(=O)[O-] ZINC000427771444 483942326 /nfs/dbraw/zinc/94/23/26/483942326.db2.gz PTKQXLOKMZJBNM-CYBMUJFWSA-N -1 0 359.338 -0.161 20 0 FBADRM CO[C@@H](CNC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O)C(=O)[O-] ZINC000427771445 483942871 /nfs/dbraw/zinc/94/28/71/483942871.db2.gz PTKQXLOKMZJBNM-ZDUSSCGKSA-N -1 0 359.338 -0.161 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N(C)CC(=O)[O-])s1 ZINC000427775589 483943874 /nfs/dbraw/zinc/94/38/74/483943874.db2.gz UVJSQDOZZRIRNI-UHFFFAOYSA-N -1 0 363.417 -0.795 20 0 FBADRM COC(=O)c1cnc([N-]S(=O)(=O)c2cnc(C)c(C(=O)OC)c2)cn1 ZINC000427780449 484294559 /nfs/dbraw/zinc/29/45/59/484294559.db2.gz GZHLFAGVDOGHQS-UHFFFAOYSA-N -1 0 366.355 0.554 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cnc(C)c(C(=O)OC)c2)n1 ZINC000427797374 483948813 /nfs/dbraw/zinc/94/88/13/483948813.db2.gz KOZMLYNDLDEYFP-UHFFFAOYSA-N -1 0 368.375 -0.685 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)Nc1cc(OC(F)F)n(C)n1 ZINC000427955204 484208693 /nfs/dbraw/zinc/20/86/93/484208693.db2.gz AERCAZOACMIRHS-UHFFFAOYSA-N -1 0 370.378 0.304 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000427964891 483993968 /nfs/dbraw/zinc/99/39/68/483993968.db2.gz KMUDCWFYPNRPMZ-UHFFFAOYSA-N -1 0 352.372 -0.065 20 0 FBADRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000427969425 483993221 /nfs/dbraw/zinc/99/32/21/483993221.db2.gz YZMSXXTWWMVJGI-SSDOTTSWSA-N -1 0 351.344 -0.357 20 0 FBADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000427969431 483994857 /nfs/dbraw/zinc/99/48/57/483994857.db2.gz YZMSXXTWWMVJGI-ZETCQYMHSA-N -1 0 351.344 -0.357 20 0 FBADRM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000427977757 483996525 /nfs/dbraw/zinc/99/65/25/483996525.db2.gz VKBUDNSQLJBWSI-BXKDBHETSA-N -1 0 361.354 -0.152 20 0 FBADRM C[C@@H](C(=O)[O-])N(C)C(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000427977758 483995642 /nfs/dbraw/zinc/99/56/42/483995642.db2.gz VKBUDNSQLJBWSI-CABZTGNLSA-N -1 0 361.354 -0.152 20 0 FBADRM C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000427977759 483996494 /nfs/dbraw/zinc/99/64/94/483996494.db2.gz VKBUDNSQLJBWSI-JOYOIKCWSA-N -1 0 361.354 -0.152 20 0 FBADRM C[C@H](C(=O)[O-])N(C)C(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000427977760 483996421 /nfs/dbraw/zinc/99/64/21/483996421.db2.gz VKBUDNSQLJBWSI-SKDRFNHKSA-N -1 0 361.354 -0.152 20 0 FBADRM CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cnc21 ZINC000427977880 483996291 /nfs/dbraw/zinc/99/62/91/483996291.db2.gz WLARGPYTDCSSKF-LLVKDONJSA-N -1 0 362.342 -0.167 20 0 FBADRM CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cnc21 ZINC000427977881 483996124 /nfs/dbraw/zinc/99/61/24/483996124.db2.gz WLARGPYTDCSSKF-NSHDSACASA-N -1 0 362.342 -0.167 20 0 FBADRM Cn1c2c(ccn2CC(=O)NC(C)(C)CCC(=O)[O-])c(=O)n(C)c1=O ZINC000427979467 483996332 /nfs/dbraw/zinc/99/63/32/483996332.db2.gz PGYXAPAZBABXIW-UHFFFAOYSA-N -1 0 350.375 -0.202 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000427981995 483996611 /nfs/dbraw/zinc/99/66/11/483996611.db2.gz XDNGKLVXIQVGGW-CYBMUJFWSA-N -1 0 356.400 -0.025 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000427981998 483996390 /nfs/dbraw/zinc/99/63/90/483996390.db2.gz XDNGKLVXIQVGGW-ZDUSSCGKSA-N -1 0 356.400 -0.025 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000427984481 483996350 /nfs/dbraw/zinc/99/63/50/483996350.db2.gz PPEFVJJWHMKVJX-UHFFFAOYSA-N -1 0 352.372 -0.287 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c(=O)n2C ZINC000428010630 483999836 /nfs/dbraw/zinc/99/98/36/483999836.db2.gz MLLWXVLFYNNMCS-GFCCVEGCSA-N -1 0 371.353 -0.624 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cn1C ZINC000428026214 484044954 /nfs/dbraw/zinc/04/49/54/484044954.db2.gz YQCBVELIKXNJFO-CQSZACIVSA-N -1 0 366.399 -0.051 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000428033119 484053324 /nfs/dbraw/zinc/05/33/24/484053324.db2.gz PVZSSXSUMJQBBQ-CYBMUJFWSA-N -1 0 352.372 -0.137 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000428036017 484053748 /nfs/dbraw/zinc/05/37/48/484053748.db2.gz VZKDBOLCNOJCCP-CYBMUJFWSA-N -1 0 352.372 -0.360 20 0 FBADRM CC(C)C[C@H](NC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000428041694 483944296 /nfs/dbraw/zinc/94/42/96/483944296.db2.gz RNJYCRZHIFKFIZ-NSHDSACASA-N -1 0 350.375 -0.346 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c2=O ZINC000428042305 484001971 /nfs/dbraw/zinc/00/19/71/484001971.db2.gz BRFXNEOAIDBXAF-CYBMUJFWSA-N -1 0 355.354 -0.058 20 0 FBADRM Cn1c2ncn(CC(=O)N[C@@H](C(=O)[O-])c3ccccc3)c2c(=O)n(C)c1=O ZINC000428045392 483893385 /nfs/dbraw/zinc/89/33/85/483893385.db2.gz AYZZJPMLEPHGTL-GFCCVEGCSA-N -1 0 371.353 -0.624 20 0 FBADRM Cn1c2c(ccn2CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)c(=O)n(C)c1=O ZINC000428050845 483893502 /nfs/dbraw/zinc/89/35/02/483893502.db2.gz XIQDXUFXNSNBHZ-CQSZACIVSA-N -1 0 370.365 -0.019 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c2=O ZINC000428054594 483894391 /nfs/dbraw/zinc/89/43/91/483894391.db2.gz BRFXNEOAIDBXAF-ZDUSSCGKSA-N -1 0 355.354 -0.058 20 0 FBADRM CN(CCC(=O)[O-])C(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000428057754 483893886 /nfs/dbraw/zinc/89/38/86/483893886.db2.gz XFMOYVOUEPCAMS-UHFFFAOYSA-N -1 0 351.344 -0.356 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cn1 ZINC000428058183 483894099 /nfs/dbraw/zinc/89/40/99/483894099.db2.gz YOMIDCZVIAEDNZ-CYBMUJFWSA-N -1 0 352.372 -0.360 20 0 FBADRM CC(C)C[C@@H](NC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000428067232 483894796 /nfs/dbraw/zinc/89/47/96/483894796.db2.gz RNJYCRZHIFKFIZ-LLVKDONJSA-N -1 0 350.375 -0.346 20 0 FBADRM CN(CCC(=O)[O-])C(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000428067568 483894823 /nfs/dbraw/zinc/89/48/23/483894823.db2.gz UZFBPBGIADCJBT-GFCCVEGCSA-N -1 0 361.354 -0.150 20 0 FBADRM CN(CCC(=O)[O-])C(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000428067569 483895063 /nfs/dbraw/zinc/89/50/63/483895063.db2.gz UZFBPBGIADCJBT-LBPRGKRZSA-N -1 0 361.354 -0.150 20 0 FBADRM Cn1c2ncn(CC(=O)Nc3ccccc3CC(=O)[O-])c2c(=O)n(C)c1=O ZINC000428082841 484026427 /nfs/dbraw/zinc/02/64/27/484026427.db2.gz GYCFRDQRZLWZKP-UHFFFAOYSA-N -1 0 371.353 -0.301 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000428085820 484025224 /nfs/dbraw/zinc/02/52/24/484025224.db2.gz MHNDBZWHEHAELN-UHFFFAOYSA-N -1 0 352.372 -0.036 20 0 FBADRM NC(=O)CC[C@H](C(=O)NCCCC(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000428089987 484024796 /nfs/dbraw/zinc/02/47/96/484024796.db2.gz KGAXCTXAWPFZHE-GFCCVEGCSA-N -1 0 361.354 -0.102 20 0 FBADRM NC(=O)CC[C@@H](C(=O)NCCCC(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000428089991 484024404 /nfs/dbraw/zinc/02/44/04/484024404.db2.gz KGAXCTXAWPFZHE-LBPRGKRZSA-N -1 0 361.354 -0.102 20 0 FBADRM COC[C@H](CO)NC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O ZINC000428095785 484024848 /nfs/dbraw/zinc/02/48/48/484024848.db2.gz ZDOKAXPUWLERPN-NSHDSACASA-N -1 0 359.404 -0.246 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)Nc1ccccc1CC(=O)[O-])c(=O)n2C ZINC000428095975 484025134 /nfs/dbraw/zinc/02/51/34/484025134.db2.gz LTBKXWGNRORSFJ-UHFFFAOYSA-N -1 0 371.353 -0.301 20 0 FBADRM COC[C@H](CO)NC(=O)c1ccc(-n2[n-]c(CC(=O)OC)cc2=O)cc1 ZINC000428100808 484025242 /nfs/dbraw/zinc/02/52/42/484025242.db2.gz QXEMLQJWZYRLBC-ZDUSSCGKSA-N -1 0 363.370 -0.382 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)Nc2ccccc2CC(=O)[O-])cn1 ZINC000428102039 484024092 /nfs/dbraw/zinc/02/40/92/484024092.db2.gz LXQBLOUVAHHVHO-UHFFFAOYSA-N -1 0 352.372 -0.036 20 0 FBADRM O=C([O-])CCCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000428102132 484025186 /nfs/dbraw/zinc/02/51/86/484025186.db2.gz CLRYGIWWRNHWQU-UHFFFAOYSA-N -1 0 351.344 -0.308 20 0 FBADRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCCS(=O)(=O)N(C)C)c1 ZINC000428129747 484552296 /nfs/dbraw/zinc/55/22/96/484552296.db2.gz QCLGWMYFWGTONC-UHFFFAOYSA-N -1 0 363.461 -0.012 20 0 FBADRM Cc1cc(S(=O)(=O)CCO)ccc1NC(=O)c1cnc([O-])n(C)c1=O ZINC000428401247 485341795 /nfs/dbraw/zinc/34/17/95/485341795.db2.gz FKNRZZOIYKVCSG-UHFFFAOYSA-N -1 0 367.383 -0.187 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@@H](CO)CC(F)F)cc-2c(=O)[n-]1 ZINC000428409672 659886076 /nfs/dbraw/zinc/88/60/76/659886076.db2.gz CEQRDPXLSMVQFW-RXMQYKEDSA-N -1 0 350.303 -0.270 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@H](CO)CC(F)F)cc-2c(=O)[n-]1 ZINC000428409673 659885959 /nfs/dbraw/zinc/88/59/59/659885959.db2.gz CEQRDPXLSMVQFW-YFKPBYRVSA-N -1 0 350.303 -0.270 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCc3nnn(C)n3)cc2)[n-]1 ZINC000428529372 485343185 /nfs/dbraw/zinc/34/31/85/485343185.db2.gz GYSBYALFHGVEFC-UHFFFAOYSA-N -1 0 371.357 -0.665 20 0 FBADRM COC[C@@H](C)n1ccc(NC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)n1 ZINC000428766596 484349998 /nfs/dbraw/zinc/34/99/98/484349998.db2.gz OHHZVGPMEQAGHY-SNVBAGLBSA-N -1 0 370.435 0.049 20 0 FBADRM COC[C@@H](C)n1ccc(NC(=O)CNS(=O)(=O)CCOC(C)C)n1 ZINC000428776595 484350127 /nfs/dbraw/zinc/35/01/27/484350127.db2.gz CAWJYYIFPPVEII-GFCCVEGCSA-N -1 0 362.452 0.373 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NCc2nnn(C)n2)c1 ZINC000428832968 485345614 /nfs/dbraw/zinc/34/56/14/485345614.db2.gz YSJUFZQVSQJHRX-UHFFFAOYSA-N -1 0 367.391 -0.530 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000428884137 485346248 /nfs/dbraw/zinc/34/62/48/485346248.db2.gz WUHXLSXHIJXWQQ-UHFFFAOYSA-N -1 0 361.445 -0.321 20 0 FBADRM Cc1cc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)nc(C(F)(F)F)n1 ZINC000429048623 484214724 /nfs/dbraw/zinc/21/47/24/484214724.db2.gz SNCOVPXYDCZZEA-UHFFFAOYSA-N -1 0 350.282 0.578 20 0 FBADRM O=C(CCC(=O)NC1(c2nnn[n-]2)CC1)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000429513579 484218379 /nfs/dbraw/zinc/21/83/79/484218379.db2.gz BDUDBRZDWRZJQP-UHFFFAOYSA-N -1 0 357.334 -0.299 20 0 FBADRM CS(=O)(=O)N1CC(CNC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1 ZINC000429714491 485359634 /nfs/dbraw/zinc/35/96/34/485359634.db2.gz GROKLYPJHBPKDE-UHFFFAOYSA-N -1 0 352.372 -0.349 20 0 FBADRM O=C(CN1CCCS1(=O)=O)NCCN1c2ccccc2[N-]S1(=O)=O ZINC000429921948 485361415 /nfs/dbraw/zinc/36/14/15/485361415.db2.gz IOUJPDZIQVIUGD-UHFFFAOYSA-N -1 0 374.444 -0.685 20 0 FBADRM COc1cccc(-c2nc(=NC(=O)C(=O)N(CCO)CCO)s[n-]2)c1 ZINC000429998111 485361991 /nfs/dbraw/zinc/36/19/91/485361991.db2.gz WSVPMMAHPHCQND-UHFFFAOYSA-N -1 0 366.399 -0.613 20 0 FBADRM CNC(=O)[C@@]1(C)CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000430027427 485362589 /nfs/dbraw/zinc/36/25/89/485362589.db2.gz NRMADDFNKIBNAX-AWEZNQCLSA-N -1 0 367.387 -0.417 20 0 FBADRM CNC(=O)[C@]1(C)CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000430027430 485362657 /nfs/dbraw/zinc/36/26/57/485362657.db2.gz NRMADDFNKIBNAX-CQSZACIVSA-N -1 0 367.387 -0.417 20 0 FBADRM O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NC1(c2nnn[n-]2)CC1 ZINC000430312835 485365593 /nfs/dbraw/zinc/36/55/93/485365593.db2.gz QWRPJFKLKIUOCT-GFCCVEGCSA-N -1 0 363.422 -0.982 20 0 FBADRM O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NC1(c2nnn[n-]2)CC1 ZINC000430312836 485365274 /nfs/dbraw/zinc/36/52/74/485365274.db2.gz QWRPJFKLKIUOCT-LBPRGKRZSA-N -1 0 363.422 -0.982 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCC(=O)NC2(c3nnn[n-]3)CC2)cc1 ZINC000430312890 485365375 /nfs/dbraw/zinc/36/53/75/485365375.db2.gz DEHMUQFDYOXNGF-UHFFFAOYSA-N -1 0 350.404 -0.018 20 0 FBADRM CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC3(c4nnn[n-]4)CC3)cnc21 ZINC000430314938 485365293 /nfs/dbraw/zinc/36/52/93/485365293.db2.gz LPKNMIFZNUHSNW-UHFFFAOYSA-N -1 0 356.346 -0.161 20 0 FBADRM CN(C)CCS(=O)(=O)c1ccccc1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000430320029 485365425 /nfs/dbraw/zinc/36/54/25/485365425.db2.gz NUYWCTYNPIHQNU-UHFFFAOYSA-N -1 0 364.431 -0.046 20 0 FBADRM NS(=O)(=O)c1cccc2c1ccnc2C(=O)NC1(c2nnn[n-]2)CC1 ZINC000430323261 485365805 /nfs/dbraw/zinc/36/58/05/485365805.db2.gz SJXHSJSTLWBPOC-UHFFFAOYSA-N -1 0 359.371 -0.186 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1C(N)=O ZINC000430662340 484003203 /nfs/dbraw/zinc/00/32/03/484003203.db2.gz HQLPLNTYNZJKRN-UHFFFAOYSA-N -1 0 351.344 -0.235 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000430693522 483907699 /nfs/dbraw/zinc/90/76/99/483907699.db2.gz HIXWJTHVGMRKFY-UHFFFAOYSA-N -1 0 369.403 -0.408 20 0 FBADRM CCn1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c(C(N)=O)n1 ZINC000430974524 483914867 /nfs/dbraw/zinc/91/48/67/483914867.db2.gz AHBYRPTZQVBZMR-UHFFFAOYSA-N -1 0 363.355 -0.314 20 0 FBADRM CCn1cc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c(C(N)=O)n1 ZINC000430976558 483914814 /nfs/dbraw/zinc/91/48/14/483914814.db2.gz SJIACXYOKNXADK-UHFFFAOYSA-N -1 0 362.375 -0.222 20 0 FBADRM CCn1cc([N-]S(=O)(=O)c2ccccc2S(N)(=O)=O)c(C(N)=O)n1 ZINC000430977060 483914821 /nfs/dbraw/zinc/91/48/21/483914821.db2.gz JNXFNIYIXGOASV-UHFFFAOYSA-N -1 0 373.416 -0.550 20 0 FBADRM CCn1cc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c(C(N)=O)n1 ZINC000430979982 483914569 /nfs/dbraw/zinc/91/45/69/483914569.db2.gz QSOJYGXYCUXYMI-UHFFFAOYSA-N -1 0 373.416 -0.550 20 0 FBADRM Cn1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(N)=O)cc2)n1 ZINC000431163738 483918370 /nfs/dbraw/zinc/91/83/70/483918370.db2.gz PHOYHPYFEHAIHB-UHFFFAOYSA-N -1 0 351.388 -0.174 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]c1ccc(C(=O)NCCC(N)=O)cc1 ZINC000431164665 483918794 /nfs/dbraw/zinc/91/87/94/483918794.db2.gz YPWYMNUUFCYHFQ-UHFFFAOYSA-N -1 0 351.388 -0.174 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(N)=O)cc2)cn1 ZINC000431167614 483918630 /nfs/dbraw/zinc/91/86/30/483918630.db2.gz MBVYUJGMUQBJNX-UHFFFAOYSA-N -1 0 351.388 -0.174 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(N)=O)cc2)c1 ZINC000431184026 483918347 /nfs/dbraw/zinc/91/83/47/483918347.db2.gz RKEZKCOHFUNDBQ-UHFFFAOYSA-N -1 0 351.388 -0.174 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nc3ncccn3n2)cc1F ZINC000431318741 484468654 /nfs/dbraw/zinc/46/86/54/484468654.db2.gz LXUUPRRJLMOUKH-UHFFFAOYSA-N -1 0 371.375 0.468 20 0 FBADRM Cn1cc(C(=O)NCCN2c3ccccc3[N-]S2(=O)=O)c(=O)[nH]c1=O ZINC000431370953 483928067 /nfs/dbraw/zinc/92/80/67/483928067.db2.gz UCQWLLJEICMLLB-UHFFFAOYSA-N -1 0 365.371 -0.607 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000431454910 483929971 /nfs/dbraw/zinc/92/99/71/483929971.db2.gz CJMOBWKRKQOSTN-CYBMUJFWSA-N -1 0 356.400 -0.025 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCC(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000431454911 483929867 /nfs/dbraw/zinc/92/98/67/483929867.db2.gz CJMOBWKRKQOSTN-ZDUSSCGKSA-N -1 0 356.400 -0.025 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)c2cn(C)c(=O)[nH]c2=O)ccc1[O-] ZINC000431459295 483928852 /nfs/dbraw/zinc/92/88/52/483928852.db2.gz NFYHQNRTDXBOJG-UHFFFAOYSA-N -1 0 354.344 -0.648 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@H]2CC(=O)N(CCOC)C2)ccc1[O-] ZINC000431459536 483929846 /nfs/dbraw/zinc/92/98/46/483929846.db2.gz UWOPWVJJMLNLMZ-JTQLQIEISA-N -1 0 371.415 -0.266 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(CCOC)C2)ccc1[O-] ZINC000431459538 483931906 /nfs/dbraw/zinc/93/19/06/483931906.db2.gz UWOPWVJJMLNLMZ-SNVBAGLBSA-N -1 0 371.415 -0.266 20 0 FBADRM CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cnc21 ZINC000431464171 483930989 /nfs/dbraw/zinc/93/09/89/483930989.db2.gz LFWDKXQXIILDMV-LLVKDONJSA-N -1 0 362.342 -0.167 20 0 FBADRM CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCOC[C@H]3C(=O)[O-])cnc21 ZINC000431464172 483931153 /nfs/dbraw/zinc/93/11/53/483931153.db2.gz LFWDKXQXIILDMV-NSHDSACASA-N -1 0 362.342 -0.167 20 0 FBADRM O=C([O-])C1(O)CCN(C(=O)[C@H]2CCCCN2C(=O)[C@H]2CCCO2)CC1 ZINC000431529815 483931381 /nfs/dbraw/zinc/93/13/81/483931381.db2.gz DZMBZNPWQNWAAO-CHWSQXEVSA-N -1 0 354.403 -0.015 20 0 FBADRM O=C([O-])C1(O)CCN(C(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCCO2)CC1 ZINC000431529816 483930616 /nfs/dbraw/zinc/93/06/16/483930616.db2.gz DZMBZNPWQNWAAO-OLZOCXBDSA-N -1 0 354.403 -0.015 20 0 FBADRM O=C([O-])C1(O)CCN(C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCO2)CC1 ZINC000431529817 483931257 /nfs/dbraw/zinc/93/12/57/483931257.db2.gz DZMBZNPWQNWAAO-QWHCGFSZSA-N -1 0 354.403 -0.015 20 0 FBADRM O=C([O-])C1(O)CCN(C(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCO2)CC1 ZINC000431529818 483931604 /nfs/dbraw/zinc/93/16/04/483931604.db2.gz DZMBZNPWQNWAAO-STQMWFEESA-N -1 0 354.403 -0.015 20 0 FBADRM CCCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccn(CC(=O)[O-])n3)cnc21 ZINC000431639926 484327501 /nfs/dbraw/zinc/32/75/01/484327501.db2.gz NNJWWHIGBXKVDN-UHFFFAOYSA-N -1 0 372.341 0.441 20 0 FBADRM C[C@H]1[C@@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCS1(=O)=O ZINC000431641869 483934678 /nfs/dbraw/zinc/93/46/78/483934678.db2.gz XLYNUZQITIUVAV-RCOVLWMOSA-N -1 0 374.400 -0.710 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2)n1 ZINC000431651218 484366652 /nfs/dbraw/zinc/36/66/52/484366652.db2.gz IDCIRCRQMLQJKB-UHFFFAOYSA-N -1 0 352.372 0.275 20 0 FBADRM C[C@@]1(c2cccc(C(=O)Nc3ccn(CC(=O)[O-])n3)c2)NC(=O)NC1=O ZINC000431651515 484108683 /nfs/dbraw/zinc/10/86/83/484108683.db2.gz KSSVKEIPSSFTAA-INIZCTEOSA-N -1 0 357.326 0.275 20 0 FBADRM C[C@]1(c2cccc(C(=O)Nc3ccn(CC(=O)[O-])n3)c2)NC(=O)NC1=O ZINC000431651516 484176124 /nfs/dbraw/zinc/17/61/24/484176124.db2.gz KSSVKEIPSSFTAA-MRXNPFEDSA-N -1 0 357.326 0.275 20 0 FBADRM CN(CC(=O)Nc1ccn(CC(=O)[O-])n1)S(=O)(=O)c1cccnc1 ZINC000431652429 484119146 /nfs/dbraw/zinc/11/91/46/484119146.db2.gz CMWCAUOLGRAQTO-UHFFFAOYSA-N -1 0 353.360 -0.378 20 0 FBADRM C[C@@]1(c2ccc(C(=O)NCCCc3n[nH]c(=O)[n-]3)cc2)NC(=O)NC1=O ZINC000431715522 483935045 /nfs/dbraw/zinc/93/50/45/483935045.db2.gz LLOSUGIKVRQXFT-INIZCTEOSA-N -1 0 358.358 -0.073 20 0 FBADRM C[C@]1(c2ccc(C(=O)NCCCc3n[nH]c(=O)[n-]3)cc2)NC(=O)NC1=O ZINC000431715523 483935491 /nfs/dbraw/zinc/93/54/91/483935491.db2.gz LLOSUGIKVRQXFT-MRXNPFEDSA-N -1 0 358.358 -0.073 20 0 FBADRM CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)cnc21 ZINC000431772385 483936672 /nfs/dbraw/zinc/93/66/72/483936672.db2.gz ZUOKRALNHWIWOW-INIZCTEOSA-N -1 0 362.342 -0.119 20 0 FBADRM CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@]3(C(=O)[O-])CCOC3)cnc21 ZINC000431772387 483936914 /nfs/dbraw/zinc/93/69/14/483936914.db2.gz ZUOKRALNHWIWOW-MRXNPFEDSA-N -1 0 362.342 -0.119 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000431975229 483941934 /nfs/dbraw/zinc/94/19/34/483941934.db2.gz WOUNPEYFMKCOMN-UHFFFAOYSA-N -1 0 357.313 -0.370 20 0 FBADRM Cn1c(=O)ccn(CC(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)c1=O ZINC000432003970 599830356 /nfs/dbraw/zinc/83/03/56/599830356.db2.gz WAHPOBDBFVCMMG-UHFFFAOYSA-N -1 0 367.308 -0.061 20 0 FBADRM CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000432104263 483943368 /nfs/dbraw/zinc/94/33/68/483943368.db2.gz YTMUQQONEWPVSP-NEPJUHHUSA-N -1 0 367.427 -0.036 20 0 FBADRM CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000432104264 483944456 /nfs/dbraw/zinc/94/44/56/483944456.db2.gz YTMUQQONEWPVSP-NWDGAFQWSA-N -1 0 367.427 -0.036 20 0 FBADRM CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000432104265 483944091 /nfs/dbraw/zinc/94/40/91/483944091.db2.gz YTMUQQONEWPVSP-RYUDHWBXSA-N -1 0 367.427 -0.036 20 0 FBADRM CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000432104266 483944552 /nfs/dbraw/zinc/94/45/52/483944552.db2.gz YTMUQQONEWPVSP-VXGBXAGGSA-N -1 0 367.427 -0.036 20 0 FBADRM O=C(CN=c1ccc(C(=O)NC2CCOCC2)n[n-]1)NCC(F)(F)F ZINC000432119321 845940338 /nfs/dbraw/zinc/94/03/38/845940338.db2.gz DDOUKPLIKBNFOP-UHFFFAOYSA-N -1 0 361.324 -0.102 20 0 FBADRM O=C1NC2(CCCC2)C(=O)N1CCNS(=O)(=O)[N-]CC(F)(F)F ZINC000432220025 483951152 /nfs/dbraw/zinc/95/11/52/483951152.db2.gz VELKFCXJXFOROD-UHFFFAOYSA-N -1 0 358.342 -0.163 20 0 FBADRM CC(C)OC[C@@H](CO)N(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000432318940 483954380 /nfs/dbraw/zinc/95/43/80/483954380.db2.gz WAAUORHOOPUTDT-SECBINFHSA-N -1 0 372.403 -0.158 20 0 FBADRM CC(C)OC[C@H](CO)N(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000432318941 483954270 /nfs/dbraw/zinc/95/42/70/483954270.db2.gz WAAUORHOOPUTDT-VIFPVBQESA-N -1 0 372.403 -0.158 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)OC)c(C)o2)n1 ZINC000432362374 483954687 /nfs/dbraw/zinc/95/46/87/483954687.db2.gz KWSBNRSRSINUEG-UHFFFAOYSA-N -1 0 357.348 -0.487 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)OC)c(C)o2)n1 ZINC000432365825 483954321 /nfs/dbraw/zinc/95/43/21/483954321.db2.gz YDPJNBGZCGTCGQ-UHFFFAOYSA-N -1 0 358.332 -0.060 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)c2cc(Cn3cccn3)on2)s1 ZINC000432411336 484469053 /nfs/dbraw/zinc/46/90/53/484469053.db2.gz XJBXXQDAUOEOOH-UHFFFAOYSA-N -1 0 369.388 0.395 20 0 FBADRM Cc1c([C@@H]2[C@@H](C(=O)NCCCc3n[nH]c(=O)[n-]3)CC(=O)N2C)cnn1C ZINC000432686036 483961073 /nfs/dbraw/zinc/96/10/73/483961073.db2.gz JHHJXAJDMKINBK-HZMBPMFUSA-N -1 0 361.406 -0.179 20 0 FBADRM Cc1c([C@H]2[C@@H](C(=O)NCCCc3n[nH]c(=O)[n-]3)CC(=O)N2C)cnn1C ZINC000432686041 483960759 /nfs/dbraw/zinc/96/07/59/483960759.db2.gz JHHJXAJDMKINBK-IINYFYTJSA-N -1 0 361.406 -0.179 20 0 FBADRM Cc1c([C@H]2[C@H](C(=O)NCCCc3n[nH]c(=O)[n-]3)CC(=O)N2C)cnn1C ZINC000432686044 483960492 /nfs/dbraw/zinc/96/04/92/483960492.db2.gz JHHJXAJDMKINBK-QMTHXVAHSA-N -1 0 361.406 -0.179 20 0 FBADRM Cc1c([C@@H]2[C@H](C(=O)NCCCc3n[nH]c(=O)[n-]3)CC(=O)N2C)cnn1C ZINC000432686047 483961377 /nfs/dbraw/zinc/96/13/77/483961377.db2.gz JHHJXAJDMKINBK-YGRLFVJLSA-N -1 0 361.406 -0.179 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCC(=O)N2)cc1 ZINC000432744228 483962255 /nfs/dbraw/zinc/96/22/55/483962255.db2.gz GACLSFIYRQLKAG-LLVKDONJSA-N -1 0 369.399 -0.552 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCC(=O)N2)cc1 ZINC000432744229 483962629 /nfs/dbraw/zinc/96/26/29/483962629.db2.gz GACLSFIYRQLKAG-NSHDSACASA-N -1 0 369.399 -0.552 20 0 FBADRM O=C1CCC[C@H](CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)N1 ZINC000433452799 483980211 /nfs/dbraw/zinc/98/02/11/483980211.db2.gz IDQYNRZJPOMFJQ-SSDOTTSWSA-N -1 0 353.360 -0.617 20 0 FBADRM O=C1CCC[C@@H](CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)N1 ZINC000433452800 483980917 /nfs/dbraw/zinc/98/09/17/483980917.db2.gz IDQYNRZJPOMFJQ-ZETCQYMHSA-N -1 0 353.360 -0.617 20 0 FBADRM CNC(=O)Cn1[nH]c(=NC(=O)N=c2ccc(-c3cnn(C)c3)n[n-]2)cc1C ZINC000433676478 483986295 /nfs/dbraw/zinc/98/62/95/483986295.db2.gz WRUIBUITRSIEGH-UHFFFAOYSA-N -1 0 369.389 -0.384 20 0 FBADRM CN(C)c1noc(C[N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)n1 ZINC000433882982 483990745 /nfs/dbraw/zinc/99/07/45/483990745.db2.gz CEAJWILYGFHPJO-UHFFFAOYSA-N -1 0 372.428 -0.056 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NCCn2ncnn2)c1 ZINC000433935009 483992081 /nfs/dbraw/zinc/99/20/81/483992081.db2.gz ZOWQNQIGXSYLIO-UHFFFAOYSA-N -1 0 367.391 -0.567 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCCn3ncnn3)cc2)[n-]1 ZINC000433967251 483994459 /nfs/dbraw/zinc/99/44/59/483994459.db2.gz KTXZJYHYOMVTSD-UHFFFAOYSA-N -1 0 371.357 -0.702 20 0 FBADRM Cn1cc(-c2ccc(=NC(=O)N=c3ccn(CCC(N)=O)[nH]3)[n-]n2)cn1 ZINC000434064073 483995497 /nfs/dbraw/zinc/99/54/97/483995497.db2.gz VCVPDQJNNSJOSR-UHFFFAOYSA-N -1 0 355.362 -0.563 20 0 FBADRM COC(=O)Cn1ccc(=NC(=O)N=c2ccc(-c3cnn(C)c3)n[n-]2)[nH]1 ZINC000434081666 483996335 /nfs/dbraw/zinc/99/63/35/483996335.db2.gz FUWBYHHHAASETH-UHFFFAOYSA-N -1 0 356.346 -0.266 20 0 FBADRM CN(C)C(=O)Cn1cnc(=NC(=O)N=c2ccn(Cc3ccncc3)[nH]2)[n-]1 ZINC000434217717 484000835 /nfs/dbraw/zinc/00/08/35/484000835.db2.gz SZRYUEURBWLSEV-UHFFFAOYSA-N -1 0 369.389 -0.506 20 0 FBADRM C[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CCN1c1nccn2cnnc12 ZINC000434496160 484011057 /nfs/dbraw/zinc/01/10/57/484011057.db2.gz GCJWJFQPOUQCRD-JTQLQIEISA-N -1 0 370.373 -0.726 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CCN1c1nccn2cnnc12 ZINC000434496161 484011789 /nfs/dbraw/zinc/01/17/89/484011789.db2.gz GCJWJFQPOUQCRD-SNVBAGLBSA-N -1 0 370.373 -0.726 20 0 FBADRM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC000434839198 484032533 /nfs/dbraw/zinc/03/25/33/484032533.db2.gz DMHKCEKXPDWPCK-SECBINFHSA-N -1 0 366.399 -0.034 20 0 FBADRM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC000434839200 484032381 /nfs/dbraw/zinc/03/23/81/484032381.db2.gz DMHKCEKXPDWPCK-VIFPVBQESA-N -1 0 366.399 -0.034 20 0 FBADRM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC000434865489 484034096 /nfs/dbraw/zinc/03/40/96/484034096.db2.gz QVEKQGJPAOGUKR-SECBINFHSA-N -1 0 366.399 -0.034 20 0 FBADRM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC000434865490 484034143 /nfs/dbraw/zinc/03/41/43/484034143.db2.gz QVEKQGJPAOGUKR-VIFPVBQESA-N -1 0 366.399 -0.034 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000434866127 484033551 /nfs/dbraw/zinc/03/35/51/484033551.db2.gz BGFFLZKJHVLHJV-UHFFFAOYSA-N -1 0 352.372 -0.012 20 0 FBADRM COC(=O)CNC(=O)c1ccc(NC(=O)c2cnc([O-])n(C)c2=O)cc1 ZINC000434866566 484034106 /nfs/dbraw/zinc/03/41/06/484034106.db2.gz XAEBBEXUSLBLJU-UHFFFAOYSA-N -1 0 360.326 -0.359 20 0 FBADRM COC(=O)CNC(=O)Cc1ccc(NC(=O)c2cnc([O-])n(C)c2=O)cc1 ZINC000434868737 484033189 /nfs/dbraw/zinc/03/31/89/484033189.db2.gz MHOKBQDELQDOSO-UHFFFAOYSA-N -1 0 374.353 -0.430 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)c2cnc([O-])n(C)c2=O)ccc1C ZINC000434875073 484035024 /nfs/dbraw/zinc/03/50/24/484035024.db2.gz DIRSDIWHFHTQEE-UHFFFAOYSA-N -1 0 352.372 -0.045 20 0 FBADRM CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cnc([O-])n(C)c1=O ZINC000434880322 484034959 /nfs/dbraw/zinc/03/49/59/484034959.db2.gz NIFAFEQELOEWRF-UHFFFAOYSA-N -1 0 364.383 -0.403 20 0 FBADRM Cc1cc(N2CCN(C(=O)c3cnc([O-])n(C)c3=O)CC2)n2ncnc2n1 ZINC000434881175 484035446 /nfs/dbraw/zinc/03/54/46/484035446.db2.gz SURWXBMMJHRLMK-UHFFFAOYSA-N -1 0 370.373 -0.806 20 0 FBADRM CCc1ccc(NC(=O)c2cnc([O-])n(C)c2=O)cc1S(N)(=O)=O ZINC000434881797 484036195 /nfs/dbraw/zinc/03/61/95/484036195.db2.gz YAGWYRBAYOWSDP-UHFFFAOYSA-N -1 0 352.372 -0.052 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N(CCO)CCN1CCOCC1 ZINC000434915947 658901071 /nfs/dbraw/zinc/90/10/71/658901071.db2.gz VHILAACNSTXESN-UHFFFAOYSA-N -1 0 371.459 -0.175 20 0 FBADRM CN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)C[C@@H](O)CN1CCOCC1 ZINC000434994026 484038173 /nfs/dbraw/zinc/03/81/73/484038173.db2.gz GKDQFOOSKNUFTC-CYBMUJFWSA-N -1 0 368.459 -0.367 20 0 FBADRM CN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)C[C@H](O)CN1CCOCC1 ZINC000434994027 484038019 /nfs/dbraw/zinc/03/80/19/484038019.db2.gz GKDQFOOSKNUFTC-ZDUSSCGKSA-N -1 0 368.459 -0.367 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cnc([O-])n(C)c2=O)cc1 ZINC000435136670 484041429 /nfs/dbraw/zinc/04/14/29/484041429.db2.gz FWSVEDBGOHLYCD-UHFFFAOYSA-N -1 0 366.399 -0.334 20 0 FBADRM COc1cc(CNC(=O)c2cnc([O-])n(C)c2=O)ccc1OCC(N)=O ZINC000435142763 484042272 /nfs/dbraw/zinc/04/22/72/484042272.db2.gz XWOCFQFHNHARRJ-UHFFFAOYSA-N -1 0 362.342 -0.711 20 0 FBADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000435220490 484045023 /nfs/dbraw/zinc/04/50/23/484045023.db2.gz PABNEJGUCGWNHJ-UHFFFAOYSA-N -1 0 352.372 -0.045 20 0 FBADRM CNC(=O)[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(C)C ZINC000435226216 484045088 /nfs/dbraw/zinc/04/50/88/484045088.db2.gz NNPOLZQDUKRKIL-VIFPVBQESA-N -1 0 355.376 -0.515 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000435230371 484044806 /nfs/dbraw/zinc/04/48/06/484044806.db2.gz PJSCUXSUGHNPPS-UHFFFAOYSA-N -1 0 352.372 -0.676 20 0 FBADRM CN(C)c1nccc(N2CCN(C(=O)c3cnc([O-])n(C)c3=O)CC2)n1 ZINC000435365181 484049383 /nfs/dbraw/zinc/04/93/83/484049383.db2.gz GQZDEMUZHNVAQX-UHFFFAOYSA-N -1 0 359.390 -0.696 20 0 FBADRM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cnc([O-])n(C)c1=O)CC2 ZINC000435372366 484050168 /nfs/dbraw/zinc/05/01/68/484050168.db2.gz AFLUTQUBDDKSLV-UHFFFAOYSA-N -1 0 364.383 -0.403 20 0 FBADRM COc1cc(NC(=O)CNC(=O)c2cnc([O-])n(C)c2=O)cc(OC)c1 ZINC000435373625 484049246 /nfs/dbraw/zinc/04/92/46/484049246.db2.gz FOYWOEVZDFWXOX-UHFFFAOYSA-N -1 0 362.342 -0.128 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]c1cccc(NC(=O)NCC(N)=O)c1 ZINC000435472550 484051382 /nfs/dbraw/zinc/05/13/82/484051382.db2.gz LSJCDFMAPJWMHB-UHFFFAOYSA-N -1 0 352.376 -0.172 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)NCc2cccnn2)cc1 ZINC000435474083 484052128 /nfs/dbraw/zinc/05/21/28/484052128.db2.gz UCIGPAUZVKMGNQ-UHFFFAOYSA-N -1 0 350.356 -0.231 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cccc(NC(=O)NCC(N)=O)c2)cn1 ZINC000435499662 484051813 /nfs/dbraw/zinc/05/18/13/484051813.db2.gz GTMBMJYYDCXJBL-UHFFFAOYSA-N -1 0 352.376 -0.172 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]c2cccc(NC(=O)NCC(N)=O)c2)c1 ZINC000435500583 484052406 /nfs/dbraw/zinc/05/24/06/484052406.db2.gz HTPIXHOOFNNXEY-UHFFFAOYSA-N -1 0 352.376 -0.172 20 0 FBADRM Cn1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)NCC(N)=O)c2)n1 ZINC000435502752 484052196 /nfs/dbraw/zinc/05/21/96/484052196.db2.gz AJBUJKHBMZNSJZ-UHFFFAOYSA-N -1 0 352.376 -0.172 20 0 FBADRM CCNC(=O)N1CCC(N(CC(=O)[O-])C(=O)[C@@H]2CCN(C(C)=O)C2)CC1 ZINC000435674843 484057703 /nfs/dbraw/zinc/05/77/03/484057703.db2.gz SCIIOEVOEQAROV-CYBMUJFWSA-N -1 0 368.434 -0.038 20 0 FBADRM CCNC(=O)N1CCC(N(CC(=O)[O-])C(=O)[C@H]2CCN(C(C)=O)C2)CC1 ZINC000435674844 484059037 /nfs/dbraw/zinc/05/90/37/484059037.db2.gz SCIIOEVOEQAROV-ZDUSSCGKSA-N -1 0 368.434 -0.038 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CCCNC(=O)c2cccnc2)n[n-]1 ZINC000435676268 484058377 /nfs/dbraw/zinc/05/83/77/484058377.db2.gz RLGXJZBHZHAEFR-UHFFFAOYSA-N -1 0 352.376 -0.248 20 0 FBADRM CN(CC(=O)[O-])[C@@H]1CN(C(=O)CCS(=O)(=O)C2CCCC2)C[C@H]1O ZINC000435706209 484059909 /nfs/dbraw/zinc/05/99/09/484059909.db2.gz NCUVAICEJCBXSV-CHWSQXEVSA-N -1 0 362.448 -0.678 20 0 FBADRM CN(CC(=O)[O-])[C@H]1CN(C(=O)CCS(=O)(=O)C2CCCC2)C[C@H]1O ZINC000435706210 484060739 /nfs/dbraw/zinc/06/07/39/484060739.db2.gz NCUVAICEJCBXSV-QWHCGFSZSA-N -1 0 362.448 -0.678 20 0 FBADRM CCCCCS(=O)(=O)CC(=O)N1C[C@@H](O)[C@@H](N(C)CC(=O)[O-])C1 ZINC000435707250 484061606 /nfs/dbraw/zinc/06/16/06/484061606.db2.gz RSFZRYOWPVPTQR-NWDGAFQWSA-N -1 0 350.437 -0.821 20 0 FBADRM CCCCCS(=O)(=O)CC(=O)N1C[C@@H](O)[C@H](N(C)CC(=O)[O-])C1 ZINC000435707251 484061892 /nfs/dbraw/zinc/06/18/92/484061892.db2.gz RSFZRYOWPVPTQR-VXGBXAGGSA-N -1 0 350.437 -0.821 20 0 FBADRM CC(C)CS(=O)(=O)CCC(=O)N1C[C@@H](O)[C@@H](N(C)CC(=O)[O-])C1 ZINC000435709080 484064380 /nfs/dbraw/zinc/06/43/80/484064380.db2.gz MXHMLVJAISAFMH-NWDGAFQWSA-N -1 0 350.437 -0.965 20 0 FBADRM CC(C)CS(=O)(=O)CCC(=O)N1C[C@@H](O)[C@H](N(C)CC(=O)[O-])C1 ZINC000435709081 484063295 /nfs/dbraw/zinc/06/32/95/484063295.db2.gz MXHMLVJAISAFMH-VXGBXAGGSA-N -1 0 350.437 -0.965 20 0 FBADRM O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1 ZINC000435711373 484062488 /nfs/dbraw/zinc/06/24/88/484062488.db2.gz OKXYFCBOAWORRI-HAQNSBGRSA-N -1 0 351.403 -0.173 20 0 FBADRM O=C([O-])C1CCC(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000435711374 484063268 /nfs/dbraw/zinc/06/32/68/484063268.db2.gz OKXYFCBOAWORRI-UHFFFAOYSA-N -1 0 351.403 -0.173 20 0 FBADRM Cn1ccnc1-c1cc(NC(=O)Cn2cnc3c(cnn3C)c2=O)n[nH]1 ZINC000435713623 484076854 /nfs/dbraw/zinc/07/68/54/484076854.db2.gz LVHIRFQHVCSGCQ-UHFFFAOYSA-N -1 0 353.346 -0.108 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)Nc2n[nH]c(CC(=O)OC)n2)c1 ZINC000435914856 484065054 /nfs/dbraw/zinc/06/50/54/484065054.db2.gz PAVHKONGHZFDPW-UHFFFAOYSA-N -1 0 361.358 -0.174 20 0 FBADRM CCn1cc([N-]S(=O)(=O)c2cc(C(=O)NC)n(C)c2)c(C(N)=O)n1 ZINC000436473703 484076971 /nfs/dbraw/zinc/07/69/71/484076971.db2.gz BRTUXBJUWBMQQH-UHFFFAOYSA-N -1 0 354.392 -0.499 20 0 FBADRM CCn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)c(C(N)=O)n1 ZINC000436474691 484076333 /nfs/dbraw/zinc/07/63/33/484076333.db2.gz FEGBVMBJXYIPDQ-UHFFFAOYSA-N -1 0 367.453 -0.975 20 0 FBADRM C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C(=O)NCCF ZINC000436499377 484076894 /nfs/dbraw/zinc/07/68/94/484076894.db2.gz ZISFTCNOHHFSHC-SECBINFHSA-N -1 0 361.395 -0.154 20 0 FBADRM C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C(=O)NCCF ZINC000436499378 484076914 /nfs/dbraw/zinc/07/69/14/484076914.db2.gz ZISFTCNOHHFSHC-VIFPVBQESA-N -1 0 361.395 -0.154 20 0 FBADRM C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CC(=O)N1C ZINC000436510296 484077223 /nfs/dbraw/zinc/07/72/23/484077223.db2.gz GQGYMRNGFHZHMC-JTQLQIEISA-N -1 0 355.416 -0.055 20 0 FBADRM C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CC(=O)N1C ZINC000436510315 484077299 /nfs/dbraw/zinc/07/72/99/484077299.db2.gz GQGYMRNGFHZHMC-SNVBAGLBSA-N -1 0 355.416 -0.055 20 0 FBADRM CC(=O)NCCNC(=O)c1cccc(C(=O)NCCNC(C)=O)c1[O-] ZINC000436662550 484078754 /nfs/dbraw/zinc/07/87/54/484078754.db2.gz GISUYIQJPRTWGS-UHFFFAOYSA-N -1 0 350.375 -0.876 20 0 FBADRM COC(=O)[C@@](C)(O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436671768 484078777 /nfs/dbraw/zinc/07/87/77/484078777.db2.gz ATJZFLDYGAZFSF-AWEZNQCLSA-N -1 0 360.388 -0.704 20 0 FBADRM COC(=O)[C@](C)(O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436671771 484079149 /nfs/dbraw/zinc/07/91/49/484079149.db2.gz ATJZFLDYGAZFSF-CQSZACIVSA-N -1 0 360.388 -0.704 20 0 FBADRM CC(=O)c1ccc([O-])c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000436681353 484080497 /nfs/dbraw/zinc/08/04/97/484080497.db2.gz MWRJBKWTRVNBQT-UHFFFAOYSA-N -1 0 371.353 -0.019 20 0 FBADRM CC(=O)c1ccc([O-])c(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC000436681555 484081353 /nfs/dbraw/zinc/08/13/53/484081353.db2.gz RQFPSDUXDWPWKI-UHFFFAOYSA-N -1 0 371.353 -0.019 20 0 FBADRM COCCN1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CC1=O ZINC000436686468 484080414 /nfs/dbraw/zinc/08/04/14/484080414.db2.gz HMUPYMLHQRWOSF-UHFFFAOYSA-N -1 0 371.415 -0.469 20 0 FBADRM CC(=O)N1CC(NC(=O)c2cccc(C(=O)NC3CN(C(C)=O)C3)c2[O-])C1 ZINC000436698084 484080593 /nfs/dbraw/zinc/08/05/93/484080593.db2.gz LORVIMLAFPDVRB-UHFFFAOYSA-N -1 0 374.397 -0.687 20 0 FBADRM COCCNC(=O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436699394 484080685 /nfs/dbraw/zinc/08/06/85/484080685.db2.gz QWWMMISNEGEUQP-UHFFFAOYSA-N -1 0 359.404 -0.865 20 0 FBADRM C[C@@](O)(CO)CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000436705488 484080188 /nfs/dbraw/zinc/08/01/88/484080188.db2.gz KKVZVKWSLOONRM-HNNXBMFYSA-N -1 0 358.416 -0.350 20 0 FBADRM C[C@](O)(CO)CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000436705489 484080957 /nfs/dbraw/zinc/08/09/57/484080957.db2.gz KKVZVKWSLOONRM-OAHLLOKOSA-N -1 0 358.416 -0.350 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)ccc1O ZINC000436707952 484080848 /nfs/dbraw/zinc/08/08/48/484080848.db2.gz SXXMHRVHJDSBKD-UHFFFAOYSA-N -1 0 354.344 -0.339 20 0 FBADRM O=C(NCCn1ncnn1)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000436732668 484080661 /nfs/dbraw/zinc/08/06/61/484080661.db2.gz DSFIDQADBFWDCE-UHFFFAOYSA-N -1 0 366.403 -0.407 20 0 FBADRM Cn1nncc1CNC(=O)c1cccc(C(=O)NCc2cnnn2C)c1[O-] ZINC000436747025 484080308 /nfs/dbraw/zinc/08/03/08/484080308.db2.gz JKRSSCXZIYATCY-UHFFFAOYSA-N -1 0 370.373 -0.491 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436752138 484080206 /nfs/dbraw/zinc/08/02/06/484080206.db2.gz QCWKQFYBNWGMFI-GFCCVEGCSA-N -1 0 355.416 -0.007 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436752139 484081104 /nfs/dbraw/zinc/08/11/04/484081104.db2.gz QCWKQFYBNWGMFI-LBPRGKRZSA-N -1 0 355.416 -0.007 20 0 FBADRM CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])[C@@H]1CC(=O)NC1=O ZINC000436754548 484081417 /nfs/dbraw/zinc/08/14/17/484081417.db2.gz ZJOPCZOFKIDAFI-LLVKDONJSA-N -1 0 369.399 -0.480 20 0 FBADRM CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])[C@H]1CC(=O)NC1=O ZINC000436754549 484079936 /nfs/dbraw/zinc/07/99/36/484079936.db2.gz ZJOPCZOFKIDAFI-NSHDSACASA-N -1 0 369.399 -0.480 20 0 FBADRM CC[C@@H]1C(=O)NCCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436765633 484081341 /nfs/dbraw/zinc/08/13/41/484081341.db2.gz BBZMQMBBWNYFPG-GFCCVEGCSA-N -1 0 355.416 -0.007 20 0 FBADRM CC[C@H]1C(=O)NCCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436765636 484081164 /nfs/dbraw/zinc/08/11/64/484081164.db2.gz BBZMQMBBWNYFPG-LBPRGKRZSA-N -1 0 355.416 -0.007 20 0 FBADRM COC[C@](C)(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C(=O)OC ZINC000436773108 484081064 /nfs/dbraw/zinc/08/10/64/484081064.db2.gz HUQVEEOKKVGXAI-HNNXBMFYSA-N -1 0 374.415 -0.050 20 0 FBADRM COC[C@@](C)(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C(=O)OC ZINC000436773110 484081152 /nfs/dbraw/zinc/08/11/52/484081152.db2.gz HUQVEEOKKVGXAI-OAHLLOKOSA-N -1 0 374.415 -0.050 20 0 FBADRM COCCN(CC(=O)OC)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436773399 484080241 /nfs/dbraw/zinc/08/02/41/484080241.db2.gz OUUOCZKXNKUFDD-UHFFFAOYSA-N -1 0 374.415 -0.096 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CCO1 ZINC000436774039 484079919 /nfs/dbraw/zinc/07/99/19/484079919.db2.gz VANSEQZLTFBBHK-CYBMUJFWSA-N -1 0 372.399 -0.344 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CCO1 ZINC000436774040 484080004 /nfs/dbraw/zinc/08/00/04/484080004.db2.gz VANSEQZLTFBBHK-ZDUSSCGKSA-N -1 0 372.399 -0.344 20 0 FBADRM C[C@H](CS(C)(=O)=O)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436774974 484080103 /nfs/dbraw/zinc/08/01/03/484080103.db2.gz VMIXFXIABJHBEM-SECBINFHSA-N -1 0 364.445 -0.195 20 0 FBADRM C[C@@H](CS(C)(=O)=O)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436774975 484081636 /nfs/dbraw/zinc/08/16/36/484081636.db2.gz VMIXFXIABJHBEM-VIFPVBQESA-N -1 0 364.445 -0.195 20 0 FBADRM COC(=O)[C@]1(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CCOC1 ZINC000436777800 484080992 /nfs/dbraw/zinc/08/09/92/484080992.db2.gz ZWCZBUQOBHEVTJ-HNNXBMFYSA-N -1 0 372.399 -0.296 20 0 FBADRM COC(=O)[C@@]1(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CCOC1 ZINC000436777805 484080281 /nfs/dbraw/zinc/08/02/81/484080281.db2.gz ZWCZBUQOBHEVTJ-OAHLLOKOSA-N -1 0 372.399 -0.296 20 0 FBADRM CNC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CC1 ZINC000436782625 484080473 /nfs/dbraw/zinc/08/04/73/484080473.db2.gz OHKRPHNAYNFDAO-UHFFFAOYSA-N -1 0 370.431 -0.260 20 0 FBADRM CCNC(=O)C1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C1 ZINC000436783796 484080931 /nfs/dbraw/zinc/08/09/31/484080931.db2.gz UKQJCFKAGDDAEW-UHFFFAOYSA-N -1 0 355.416 -0.149 20 0 FBADRM COC(=O)[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436783928 484080915 /nfs/dbraw/zinc/08/09/15/484080915.db2.gz VCCLKBATHOGOOA-GFCCVEGCSA-N -1 0 372.399 -0.344 20 0 FBADRM COC(=O)[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436783930 484080721 /nfs/dbraw/zinc/08/07/21/484080721.db2.gz VCCLKBATHOGOOA-LBPRGKRZSA-N -1 0 372.399 -0.344 20 0 FBADRM C[C@@H]1CO[C@@H](CO)CN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436785514 484081478 /nfs/dbraw/zinc/08/14/78/484081478.db2.gz UTDPMWSSFVNFBM-GHMZBOCLSA-N -1 0 358.416 -0.136 20 0 FBADRM C[C@@H]1CO[C@H](CO)CN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436785515 484081115 /nfs/dbraw/zinc/08/11/15/484081115.db2.gz UTDPMWSSFVNFBM-MNOVXSKESA-N -1 0 358.416 -0.136 20 0 FBADRM C[C@H]1CO[C@H](CO)CN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436785516 484080177 /nfs/dbraw/zinc/08/01/77/484080177.db2.gz UTDPMWSSFVNFBM-QWRGUYRKSA-N -1 0 358.416 -0.136 20 0 FBADRM C[C@H]1CO[C@@H](CO)CN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436785517 484080087 /nfs/dbraw/zinc/08/00/87/484080087.db2.gz UTDPMWSSFVNFBM-WDEREUQCSA-N -1 0 358.416 -0.136 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)ccc1O ZINC000436787849 484081453 /nfs/dbraw/zinc/08/14/53/484081453.db2.gz ZCZXIMOWEQAALA-UHFFFAOYSA-N -1 0 354.344 -0.339 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CCO1 ZINC000436790977 484080515 /nfs/dbraw/zinc/08/05/15/484080515.db2.gz IIOCJWUDNDOTKN-CYBMUJFWSA-N -1 0 371.415 -0.771 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CCO1 ZINC000436790978 484081439 /nfs/dbraw/zinc/08/14/39/484081439.db2.gz IIOCJWUDNDOTKN-ZDUSSCGKSA-N -1 0 371.415 -0.771 20 0 FBADRM CN(C)C(=O)NCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436794137 484081363 /nfs/dbraw/zinc/08/13/63/484081363.db2.gz AFRDJDQJDZVPKU-UHFFFAOYSA-N -1 0 358.420 -0.357 20 0 FBADRM CN(C)C(=O)NCCN(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436794976 484082149 /nfs/dbraw/zinc/08/21/49/484082149.db2.gz WZLHLNGBAPFAIB-UHFFFAOYSA-N -1 0 372.447 -0.014 20 0 FBADRM COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436797122 484083610 /nfs/dbraw/zinc/08/36/10/484083610.db2.gz MHYOXRLYBHTLTM-SKDRFNHKSA-N -1 0 372.399 -0.609 20 0 FBADRM C[C@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])S(N)(=O)=O ZINC000436797370 484082420 /nfs/dbraw/zinc/08/24/20/484082420.db2.gz MXYZCEJLFQVPLB-MRVPVSSYSA-N -1 0 365.433 -0.951 20 0 FBADRM C[C@@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])S(N)(=O)=O ZINC000436797372 484083741 /nfs/dbraw/zinc/08/37/41/484083741.db2.gz MXYZCEJLFQVPLB-QMMMGPOBSA-N -1 0 365.433 -0.951 20 0 FBADRM CCN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CC1=O ZINC000436798222 484083583 /nfs/dbraw/zinc/08/35/83/484083583.db2.gz RLBHRIVZQHKIPS-UHFFFAOYSA-N -1 0 355.416 -0.053 20 0 FBADRM CCOC(=O)[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436798274 484083200 /nfs/dbraw/zinc/08/32/00/484083200.db2.gz SACKFOCCYKCLRO-LLVKDONJSA-N -1 0 360.388 -0.704 20 0 FBADRM CCOC(=O)[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436798275 484082599 /nfs/dbraw/zinc/08/25/99/484082599.db2.gz SACKFOCCYKCLRO-NSHDSACASA-N -1 0 360.388 -0.704 20 0 FBADRM COCC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C(N)=O ZINC000436799401 484083034 /nfs/dbraw/zinc/08/30/34/484083034.db2.gz XSJHJJOKUWGHGM-LLVKDONJSA-N -1 0 359.404 -0.737 20 0 FBADRM COCC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C(N)=O ZINC000436799402 484083894 /nfs/dbraw/zinc/08/38/94/484083894.db2.gz XSJHJJOKUWGHGM-NSHDSACASA-N -1 0 359.404 -0.737 20 0 FBADRM COC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C(=O)OC ZINC000436799692 484082500 /nfs/dbraw/zinc/08/25/00/484082500.db2.gz YSVRHEUWSYUECP-LLVKDONJSA-N -1 0 360.388 -0.440 20 0 FBADRM COC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C(=O)OC ZINC000436799693 484083369 /nfs/dbraw/zinc/08/33/69/484083369.db2.gz YSVRHEUWSYUECP-NSHDSACASA-N -1 0 360.388 -0.440 20 0 FBADRM CNC(=O)N[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C1 ZINC000436805013 484082649 /nfs/dbraw/zinc/08/26/49/484082649.db2.gz CNAQGOLRYKVJBG-JTQLQIEISA-N -1 0 370.431 -0.214 20 0 FBADRM CNC(=O)N[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C1 ZINC000436805014 484083195 /nfs/dbraw/zinc/08/31/95/484083195.db2.gz CNAQGOLRYKVJBG-SNVBAGLBSA-N -1 0 370.431 -0.214 20 0 FBADRM C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C[C@H](CO)O1 ZINC000436821562 484083417 /nfs/dbraw/zinc/08/34/17/484083417.db2.gz PNHHGJCBVCNLES-GHMZBOCLSA-N -1 0 358.416 -0.136 20 0 FBADRM C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C[C@@H](CO)O1 ZINC000436821564 484082342 /nfs/dbraw/zinc/08/23/42/484082342.db2.gz PNHHGJCBVCNLES-MNOVXSKESA-N -1 0 358.416 -0.136 20 0 FBADRM C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C[C@@H](CO)O1 ZINC000436821565 484082439 /nfs/dbraw/zinc/08/24/39/484082439.db2.gz PNHHGJCBVCNLES-QWRGUYRKSA-N -1 0 358.416 -0.136 20 0 FBADRM C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C[C@H](CO)O1 ZINC000436821567 484083287 /nfs/dbraw/zinc/08/32/87/484083287.db2.gz PNHHGJCBVCNLES-WDEREUQCSA-N -1 0 358.416 -0.136 20 0 FBADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC000436821635 484083453 /nfs/dbraw/zinc/08/34/53/484083453.db2.gz PVNRMQRPPNKWBM-UHFFFAOYSA-N -1 0 373.341 -0.065 20 0 FBADRM CCOC(=O)[C@@](C)(O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436823102 484082825 /nfs/dbraw/zinc/08/28/25/484082825.db2.gz ZCTXTXGRMGRHCP-HNNXBMFYSA-N -1 0 374.415 -0.314 20 0 FBADRM CCOC(=O)[C@](C)(O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436823103 484082199 /nfs/dbraw/zinc/08/21/99/484082199.db2.gz ZCTXTXGRMGRHCP-OAHLLOKOSA-N -1 0 374.415 -0.314 20 0 FBADRM C[C@H]1C(=O)N(C)CCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436829437 484082123 /nfs/dbraw/zinc/08/21/23/484082123.db2.gz BDDSKFARKQTVJN-JTQLQIEISA-N -1 0 355.416 -0.055 20 0 FBADRM C[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436829441 484082187 /nfs/dbraw/zinc/08/21/87/484082187.db2.gz BDDSKFARKQTVJN-SNVBAGLBSA-N -1 0 355.416 -0.055 20 0 FBADRM C[C@H](O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CC1 ZINC000436830230 484083068 /nfs/dbraw/zinc/08/30/68/484083068.db2.gz NRCMNLWWLQCCTB-LBPRGKRZSA-N -1 0 371.459 -0.219 20 0 FBADRM CNC(=O)[C@H](C)NC(=O)c1cccc(C(=O)N[C@@H](C)C(=O)NC)c1[O-] ZINC000436831798 484082172 /nfs/dbraw/zinc/08/21/72/484082172.db2.gz GMZDJNIYBMFYNE-IUCAKERBSA-N -1 0 350.375 -0.879 20 0 FBADRM C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CCN1CCO ZINC000436833922 658971291 /nfs/dbraw/zinc/97/12/91/658971291.db2.gz KMFBWVJNYBYKAV-GFCCVEGCSA-N -1 0 371.459 -0.219 20 0 FBADRM C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CCN1CCO ZINC000436833923 658971598 /nfs/dbraw/zinc/97/15/98/658971598.db2.gz KMFBWVJNYBYKAV-LBPRGKRZSA-N -1 0 371.459 -0.219 20 0 FBADRM Cn1nnc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])n1 ZINC000436834101 658971494 /nfs/dbraw/zinc/97/14/94/658971494.db2.gz YEULOWPKUZHBPG-UHFFFAOYSA-N -1 0 366.403 -0.370 20 0 FBADRM COC(=O)[C@@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])OC ZINC000436876858 484082551 /nfs/dbraw/zinc/08/25/51/484082551.db2.gz LCNDYCGFEOIDLI-GFCCVEGCSA-N -1 0 360.388 -0.440 20 0 FBADRM COC(=O)[C@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])OC ZINC000436876860 484082938 /nfs/dbraw/zinc/08/29/38/484082938.db2.gz LCNDYCGFEOIDLI-LBPRGKRZSA-N -1 0 360.388 -0.440 20 0 FBADRM CCNC(=O)NCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436904463 484083511 /nfs/dbraw/zinc/08/35/11/484083511.db2.gz LFRHJQRHSVHWGI-UHFFFAOYSA-N -1 0 358.420 -0.309 20 0 FBADRM COC(=O)[C@@H](O)CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000436919970 484082752 /nfs/dbraw/zinc/08/27/52/484082752.db2.gz FFCVAKFTXNVAAL-ZDUSSCGKSA-N -1 0 372.399 -0.560 20 0 FBADRM COC[C@@H](C(N)=O)N(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436928735 484083871 /nfs/dbraw/zinc/08/38/71/484083871.db2.gz CAFVNRHMUDAONZ-NSHDSACASA-N -1 0 359.404 -0.785 20 0 FBADRM COc1cccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1O ZINC000436983804 484086014 /nfs/dbraw/zinc/08/60/14/484086014.db2.gz XWWGQXAJAGLHKD-CHWSQXEVSA-N -1 0 370.427 -0.684 20 0 FBADRM COc1cccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1O ZINC000436983805 484085067 /nfs/dbraw/zinc/08/50/67/484085067.db2.gz XWWGQXAJAGLHKD-OLZOCXBDSA-N -1 0 370.427 -0.684 20 0 FBADRM COc1cccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1O ZINC000436983807 484084829 /nfs/dbraw/zinc/08/48/29/484084829.db2.gz XWWGQXAJAGLHKD-QWHCGFSZSA-N -1 0 370.427 -0.684 20 0 FBADRM COc1cccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1O ZINC000436983809 484085974 /nfs/dbraw/zinc/08/59/74/484085974.db2.gz XWWGQXAJAGLHKD-STQMWFEESA-N -1 0 370.427 -0.684 20 0 FBADRM CN(C)c1ncncc1NC(=O)C(=O)NCCNC(=O)c1ccc(O)cc1 ZINC000436985666 484084567 /nfs/dbraw/zinc/08/45/67/484084567.db2.gz DYRBNVAWCOIBBM-UHFFFAOYSA-N -1 0 372.385 -0.267 20 0 FBADRM O=C(C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1)c1ccc(O)cc1 ZINC000437001027 484084495 /nfs/dbraw/zinc/08/44/95/484084495.db2.gz UYFLJNFQHXCIRQ-UHFFFAOYSA-N -1 0 365.371 -0.774 20 0 FBADRM Cc1nnc([N-]S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)s1 ZINC000437184360 484087874 /nfs/dbraw/zinc/08/78/74/484087874.db2.gz BXMZPKHXXFNAJD-UHFFFAOYSA-N -1 0 354.373 -0.005 20 0 FBADRM NC(=O)[C@H]1CCCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000437199334 484087372 /nfs/dbraw/zinc/08/73/72/484087372.db2.gz CPKRIGRHUNNHGI-SECBINFHSA-N -1 0 353.360 -0.536 20 0 FBADRM NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000437199339 484088018 /nfs/dbraw/zinc/08/80/18/484088018.db2.gz CPKRIGRHUNNHGI-VIFPVBQESA-N -1 0 353.360 -0.536 20 0 FBADRM CS(=O)(=O)CCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000437204986 484086640 /nfs/dbraw/zinc/08/66/40/484086640.db2.gz DFHJYCWUORVVTB-UHFFFAOYSA-N -1 0 362.389 -0.851 20 0 FBADRM C[C@H](Cn1ccnc1)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000437205056 484087905 /nfs/dbraw/zinc/08/79/05/484087905.db2.gz XHRFXUNNCIHJMO-MRVPVSSYSA-N -1 0 350.360 -0.001 20 0 FBADRM C[C@@H](Cn1ccnc1)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000437205057 484087209 /nfs/dbraw/zinc/08/72/09/484087209.db2.gz XHRFXUNNCIHJMO-QMMMGPOBSA-N -1 0 350.360 -0.001 20 0 FBADRM Cc1noc(CCNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)n1 ZINC000437208474 484086613 /nfs/dbraw/zinc/08/66/13/484086613.db2.gz SNQXZXWHBFNENA-UHFFFAOYSA-N -1 0 352.332 -0.352 20 0 FBADRM COC(=O)[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1 ZINC000437212366 484086702 /nfs/dbraw/zinc/08/67/02/484086702.db2.gz GHIUOQWWKSQQJS-SECBINFHSA-N -1 0 354.344 -0.334 20 0 FBADRM COC(=O)[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1 ZINC000437212367 484087742 /nfs/dbraw/zinc/08/77/42/484087742.db2.gz GHIUOQWWKSQQJS-VIFPVBQESA-N -1 0 354.344 -0.334 20 0 FBADRM NC(=O)C1CCC(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000437212798 484086821 /nfs/dbraw/zinc/08/68/21/484086821.db2.gz HFSSPTWKKRKJDQ-UHFFFAOYSA-N -1 0 367.387 -0.242 20 0 FBADRM C[C@H](Cn1cccn1)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000437214115 484086800 /nfs/dbraw/zinc/08/68/00/484086800.db2.gz MCUAFDPUABYNEE-MRVPVSSYSA-N -1 0 350.360 -0.001 20 0 FBADRM C[C@@H](Cn1cccn1)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000437214116 484087752 /nfs/dbraw/zinc/08/77/52/484087752.db2.gz MCUAFDPUABYNEE-QMMMGPOBSA-N -1 0 350.360 -0.001 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@@H]3CCCS(=O)(=O)C3)cc-2c(=O)[n-]1 ZINC000437217123 484087450 /nfs/dbraw/zinc/08/74/50/484087450.db2.gz ISWCLTRQKHPCNI-SSDOTTSWSA-N -1 0 374.400 -0.709 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@H]3CCCS(=O)(=O)C3)cc-2c(=O)[n-]1 ZINC000437217128 484087420 /nfs/dbraw/zinc/08/74/20/484087420.db2.gz ISWCLTRQKHPCNI-ZETCQYMHSA-N -1 0 374.400 -0.709 20 0 FBADRM CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000437217403 484086835 /nfs/dbraw/zinc/08/68/35/484086835.db2.gz BCEXOCFOMNHIAY-UHFFFAOYSA-N -1 0 369.403 -0.029 20 0 FBADRM O=C1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c2ccncc2N1 ZINC000437224715 484087106 /nfs/dbraw/zinc/08/71/06/484087106.db2.gz GIIHDOMPBSPLOI-UHFFFAOYSA-N -1 0 374.338 -0.022 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCCNc3cnccn3)cc-2c(=O)[n-]1 ZINC000437227913 484390508 /nfs/dbraw/zinc/39/05/08/484390508.db2.gz OGMHLTYNDXKETO-UHFFFAOYSA-N -1 0 363.359 -0.384 20 0 FBADRM CNC(=O)[C@H]1CCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000437230352 484086593 /nfs/dbraw/zinc/08/65/93/484086593.db2.gz YGPAXTBZXBTRIA-SECBINFHSA-N -1 0 353.360 -0.665 20 0 FBADRM CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000437230356 484088042 /nfs/dbraw/zinc/08/80/42/484088042.db2.gz YGPAXTBZXBTRIA-VIFPVBQESA-N -1 0 353.360 -0.665 20 0 FBADRM CN(CCn1cccn1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000437237948 484086979 /nfs/dbraw/zinc/08/69/79/484086979.db2.gz DWSPDKSBTVLUEA-UHFFFAOYSA-N -1 0 350.360 -0.047 20 0 FBADRM CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000437238482 484086781 /nfs/dbraw/zinc/08/67/81/484086781.db2.gz UHJAIHVNGKOJIN-MRVPVSSYSA-N -1 0 367.387 -0.417 20 0 FBADRM CNC(=O)[C@H]1CCCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000437238662 484087726 /nfs/dbraw/zinc/08/77/26/484087726.db2.gz UHJAIHVNGKOJIN-QMMMGPOBSA-N -1 0 367.387 -0.417 20 0 FBADRM CC(C)(C)NC(=O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000437241842 484087192 /nfs/dbraw/zinc/08/71/92/484087192.db2.gz ASCZGDKVNQIFOH-UHFFFAOYSA-N -1 0 355.376 -0.371 20 0 FBADRM CC(C)NC(=O)CN(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000437243045 484087709 /nfs/dbraw/zinc/08/77/09/484087709.db2.gz AFOHPWAVLWYRJF-UHFFFAOYSA-N -1 0 355.376 -0.419 20 0 FBADRM COC[C@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCO1 ZINC000437250104 484089387 /nfs/dbraw/zinc/08/93/87/484089387.db2.gz WLESFAVBMABMBM-MRVPVSSYSA-N -1 0 356.360 -0.528 20 0 FBADRM COC[C@@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCO1 ZINC000437250105 484089058 /nfs/dbraw/zinc/08/90/58/484089058.db2.gz WLESFAVBMABMBM-QMMMGPOBSA-N -1 0 356.360 -0.528 20 0 FBADRM COCCOC[C@@H](C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000437250252 484088580 /nfs/dbraw/zinc/08/85/80/484088580.db2.gz XEOHNGQVMYEXCI-MRVPVSSYSA-N -1 0 358.376 -0.234 20 0 FBADRM COCCOC[C@H](C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000437250257 484089925 /nfs/dbraw/zinc/08/99/25/484089925.db2.gz XEOHNGQVMYEXCI-QMMMGPOBSA-N -1 0 358.376 -0.234 20 0 FBADRM CN(CC(=O)NC1CC1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000437251888 484088568 /nfs/dbraw/zinc/08/85/68/484088568.db2.gz OOSADNQEPDCOSI-UHFFFAOYSA-N -1 0 353.360 -0.665 20 0 FBADRM CC(C)N1C[C@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1=O ZINC000437260574 484088744 /nfs/dbraw/zinc/08/87/44/484088744.db2.gz WIFHEHSVCOGJSJ-MRVPVSSYSA-N -1 0 367.387 -0.276 20 0 FBADRM CC(C)N1C[C@@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1=O ZINC000437260575 484089036 /nfs/dbraw/zinc/08/90/36/484089036.db2.gz WIFHEHSVCOGJSJ-QMMMGPOBSA-N -1 0 367.387 -0.276 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)OC)n2)cc1 ZINC000437300875 484088908 /nfs/dbraw/zinc/08/89/08/484088908.db2.gz CJHDZGZXPYXDRX-UHFFFAOYSA-N -1 0 353.360 -0.389 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)n1 ZINC000437303745 484088647 /nfs/dbraw/zinc/08/86/47/484088647.db2.gz FBMSHMWUTHMYDR-UHFFFAOYSA-N -1 0 355.376 -0.158 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)n1 ZINC000437306722 484089817 /nfs/dbraw/zinc/08/98/17/484089817.db2.gz MOMBOPLGOHLWKU-UHFFFAOYSA-N -1 0 365.375 -0.158 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)n1 ZINC000437307136 484089906 /nfs/dbraw/zinc/08/99/06/484089906.db2.gz JACGYAXTNVHJEQ-UHFFFAOYSA-N -1 0 374.400 -0.345 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)n1 ZINC000437307479 484089999 /nfs/dbraw/zinc/08/99/99/484089999.db2.gz NVIQOXGMNCIJQQ-UHFFFAOYSA-N -1 0 364.347 -0.772 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)n1 ZINC000437309737 484089667 /nfs/dbraw/zinc/08/96/67/484089667.db2.gz WIPRBDLEOBKPEB-UHFFFAOYSA-N -1 0 364.347 -0.772 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)n1 ZINC000437311845 484088613 /nfs/dbraw/zinc/08/86/13/484088613.db2.gz UZFLFWQWXUKIDR-UHFFFAOYSA-N -1 0 353.360 -0.389 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc3c2OCCO3)n1 ZINC000437312215 484089495 /nfs/dbraw/zinc/08/94/95/484089495.db2.gz WWDSUKHNFKEMEI-UHFFFAOYSA-N -1 0 353.360 -0.404 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)n1 ZINC000437312645 484089862 /nfs/dbraw/zinc/08/98/62/484089862.db2.gz FZSUCMUVOBGLOY-UHFFFAOYSA-N -1 0 353.360 -0.404 20 0 FBADRM CN1CCC[C@@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1=O ZINC000437313190 484090010 /nfs/dbraw/zinc/09/00/10/484090010.db2.gz HIKOFMQMLXIDKP-SECBINFHSA-N -1 0 353.360 -0.665 20 0 FBADRM CN1CCC[C@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1=O ZINC000437313194 484089370 /nfs/dbraw/zinc/08/93/70/484089370.db2.gz HIKOFMQMLXIDKP-VIFPVBQESA-N -1 0 353.360 -0.665 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)n1 ZINC000437313350 484089609 /nfs/dbraw/zinc/08/96/09/484089609.db2.gz RBELFLAXXQXFKD-UHFFFAOYSA-N -1 0 367.343 -0.303 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(O)c(C(=O)OC)c2)n1 ZINC000437313519 484089878 /nfs/dbraw/zinc/08/98/78/484089878.db2.gz IUTMIKNCOWOXQY-UHFFFAOYSA-N -1 0 369.359 -0.683 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000437313713 484089288 /nfs/dbraw/zinc/08/92/88/484089288.db2.gz SSWWOPYDZGBSEO-UHFFFAOYSA-N -1 0 374.400 -0.345 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)n1 ZINC000437314599 484088952 /nfs/dbraw/zinc/08/89/52/484088952.db2.gz NOVSDKJQNQRKCL-UHFFFAOYSA-N -1 0 374.400 -0.345 20 0 FBADRM CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000437316328 484088780 /nfs/dbraw/zinc/08/87/80/484088780.db2.gz VDNKYOVLDKKHTE-SSDOTTSWSA-N -1 0 355.376 -0.561 20 0 FBADRM CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000437316329 484089977 /nfs/dbraw/zinc/08/99/77/484089977.db2.gz VDNKYOVLDKKHTE-ZETCQYMHSA-N -1 0 355.376 -0.561 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)n1 ZINC000437319168 484088522 /nfs/dbraw/zinc/08/85/22/484088522.db2.gz QWVVHRCZQNCENP-UHFFFAOYSA-N -1 0 365.371 -0.462 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)n1 ZINC000437319442 484089831 /nfs/dbraw/zinc/08/98/31/484089831.db2.gz ADKQRGNSBLPUSP-UHFFFAOYSA-N -1 0 353.360 -0.341 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2csc(C(=O)OC)c2)n1 ZINC000437321946 484089945 /nfs/dbraw/zinc/08/99/45/484089945.db2.gz KULFLHZMVKCJRP-UHFFFAOYSA-N -1 0 359.389 -0.327 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(OC)ccc2OC)n1 ZINC000437324550 484091155 /nfs/dbraw/zinc/09/11/55/484091155.db2.gz JJDALZMDWYIYAF-UHFFFAOYSA-N -1 0 355.376 -0.158 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2)n1 ZINC000437326970 484091201 /nfs/dbraw/zinc/09/12/01/484091201.db2.gz WUNOHQPDIYHOAT-UHFFFAOYSA-N -1 0 353.360 -0.389 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)OC)cs2)n1 ZINC000437328009 484090750 /nfs/dbraw/zinc/09/07/50/484090750.db2.gz MAFDSXURXCVTSG-UHFFFAOYSA-N -1 0 359.389 -0.327 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2F)n1 ZINC000437329442 484091261 /nfs/dbraw/zinc/09/12/61/484091261.db2.gz YKEADJHQZZIPRM-UHFFFAOYSA-N -1 0 373.366 -0.019 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(OCCOC)cc2)n1 ZINC000437331415 484091081 /nfs/dbraw/zinc/09/10/81/484091081.db2.gz WXANNGOYBGZXPZ-UHFFFAOYSA-N -1 0 369.403 -0.150 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)OC)s2)n1 ZINC000437332140 484090981 /nfs/dbraw/zinc/09/09/81/484090981.db2.gz YYXVLBJVRIEVBT-UHFFFAOYSA-N -1 0 359.389 -0.327 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)o1 ZINC000437336701 484091919 /nfs/dbraw/zinc/09/19/19/484091919.db2.gz ZYBGMEWBOPMUQJ-UHFFFAOYSA-N -1 0 357.348 -0.453 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(O)c(C(=O)OC)c2)n1 ZINC000437337734 484092082 /nfs/dbraw/zinc/09/20/82/484092082.db2.gz CJSBLUCZRPSNQD-UHFFFAOYSA-N -1 0 370.343 -0.256 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2nc3ncccn3n2)c1 ZINC000437398551 484115700 /nfs/dbraw/zinc/11/57/00/484115700.db2.gz SYQAGLGTVLYHGZ-UHFFFAOYSA-N -1 0 357.359 0.116 20 0 FBADRM COCCNC(=O)Cn1cc([N-]S(=O)(=O)c2cnc3n2CCC3)cn1 ZINC000437660936 484095085 /nfs/dbraw/zinc/09/50/85/484095085.db2.gz VLBJXXQRVRWKHA-UHFFFAOYSA-N -1 0 368.419 -0.411 20 0 FBADRM Nc1c([N-]S(=O)(=O)c2cnc3n2CCC3)cccc1S(N)(=O)=O ZINC000437665328 484094834 /nfs/dbraw/zinc/09/48/34/484094834.db2.gz HLKMUKIEXFQSQN-UHFFFAOYSA-N -1 0 357.417 -0.140 20 0 FBADRM NC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2cnc3n2CCC3)cc1 ZINC000437671931 484095672 /nfs/dbraw/zinc/09/56/72/484095672.db2.gz UHBWONCGDCHOJG-UHFFFAOYSA-N -1 0 363.399 -0.155 20 0 FBADRM NC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2cnc3n2CCC3)c1 ZINC000437682433 484094447 /nfs/dbraw/zinc/09/44/47/484094447.db2.gz UNYSVCOFJZDBFW-UHFFFAOYSA-N -1 0 363.399 -0.155 20 0 FBADRM COc1ccccc1CCNC(=O)CNC(=O)c1cnc([O-])n(C)c1=O ZINC000437700963 484097374 /nfs/dbraw/zinc/09/73/74/484097374.db2.gz USQMCSJSYLPDAG-UHFFFAOYSA-N -1 0 360.370 -0.417 20 0 FBADRM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cnc3n2CCC3)nc1 ZINC000437929830 484100505 /nfs/dbraw/zinc/10/05/05/484100505.db2.gz CCQKTWMGUCEKKS-UHFFFAOYSA-N -1 0 357.417 -0.067 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCN3C(=O)N=NC3C2)c1 ZINC000438456994 484106185 /nfs/dbraw/zinc/10/61/85/484106185.db2.gz PQSCBJQGUVKXQG-UHFFFAOYSA-N -1 0 367.387 -0.404 20 0 FBADRM O=C(Cn1cnnn1)Nc1cccc(S(=O)(=O)[N-]c2ncccn2)c1 ZINC000438695900 484109357 /nfs/dbraw/zinc/10/93/57/484109357.db2.gz TXQGDZRLHHBNQU-UHFFFAOYSA-N -1 0 360.359 -0.097 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cnn(-c3ncccn3)c2)cn1 ZINC000438762223 484110713 /nfs/dbraw/zinc/11/07/13/484110713.db2.gz BHQYQJQRNXEMSK-UHFFFAOYSA-N -1 0 363.359 -0.167 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(=O)N(C)C)c2)c[nH]1 ZINC000438766927 484111390 /nfs/dbraw/zinc/11/13/90/484111390.db2.gz YXQOLRFDZUPEGH-UHFFFAOYSA-N -1 0 355.376 -0.113 20 0 FBADRM COC(=O)Cn1ccc([N-]S(=O)(=O)c2cnn(CC(=O)OC)c2)n1 ZINC000438768199 484110236 /nfs/dbraw/zinc/11/02/36/484110236.db2.gz YMEQIIRTVJXHCN-UHFFFAOYSA-N -1 0 357.348 -0.774 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(OCC(N)=O)c2)cn1 ZINC000438793149 484110953 /nfs/dbraw/zinc/11/09/53/484110953.db2.gz RMHONUDVCJLQEM-UHFFFAOYSA-N -1 0 368.371 -0.279 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)cn1 ZINC000438793675 484110276 /nfs/dbraw/zinc/11/02/76/484110276.db2.gz HDSVFRLQRBIJFE-UHFFFAOYSA-N -1 0 363.359 -0.167 20 0 FBADRM COC(=O)Cn1cc([N-]S(=O)(=O)c2cnn(CC(=O)OC)c2)cn1 ZINC000438796707 484111121 /nfs/dbraw/zinc/11/11/21/484111121.db2.gz RMMBXLRPGZKEHR-UHFFFAOYSA-N -1 0 357.348 -0.774 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccccc2S(N)(=O)=O)cn1 ZINC000438803730 484110775 /nfs/dbraw/zinc/11/07/75/484110775.db2.gz GAJCFFDFYVLSMJ-UHFFFAOYSA-N -1 0 374.400 -0.496 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)cn1 ZINC000438804748 484111348 /nfs/dbraw/zinc/11/13/48/484111348.db2.gz IVYXTUQDMHNUMV-UHFFFAOYSA-N -1 0 363.359 -0.167 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)nc2)cn1 ZINC000438810167 484111228 /nfs/dbraw/zinc/11/12/28/484111228.db2.gz XPIZNVHGCHEXID-UHFFFAOYSA-N -1 0 374.400 -0.345 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)nc2)cn1 ZINC000438813957 484110360 /nfs/dbraw/zinc/11/03/60/484110360.db2.gz NDDGUWFOWLVWRX-UHFFFAOYSA-N -1 0 363.359 -0.167 20 0 FBADRM Cc1c(C(=O)NC(C)(C)c2nnn[n-]2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438831521 484112778 /nfs/dbraw/zinc/11/27/78/484112778.db2.gz RVTYQLBLSLXZPZ-UHFFFAOYSA-N -1 0 358.362 -0.881 20 0 FBADRM CCS(=O)(=O)N1CC(CNS(=O)(=O)c2cc(C(=O)[O-])oc2C)C1 ZINC000438872109 484112130 /nfs/dbraw/zinc/11/21/30/484112130.db2.gz CVGBHSFKLHDBPW-UHFFFAOYSA-N -1 0 366.417 -0.154 20 0 FBADRM CCS(=O)(=O)N1CC(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000438872965 484111856 /nfs/dbraw/zinc/11/18/56/484111856.db2.gz IQCLBVRRIAAANP-UHFFFAOYSA-N -1 0 362.429 -0.055 20 0 FBADRM CCS(=O)(=O)N1CC(CNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1 ZINC000438873951 484113065 /nfs/dbraw/zinc/11/30/65/484113065.db2.gz LTIHRCUZHKNMEP-UHFFFAOYSA-N -1 0 365.433 -0.717 20 0 FBADRM CCS(=O)(=O)N1CC(CNS(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000438878776 484112606 /nfs/dbraw/zinc/11/26/06/484112606.db2.gz ZXLPEAMHPGSDJE-UHFFFAOYSA-N -1 0 362.429 -0.055 20 0 FBADRM COCCNC(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000438880399 484112763 /nfs/dbraw/zinc/11/27/63/484112763.db2.gz ZUNNJKXPLXJTEA-UHFFFAOYSA-N -1 0 362.374 -0.207 20 0 FBADRM O=S(=O)([N-]CC(F)(F)F)NC1CCN(c2nccc(CO)n2)CC1 ZINC000438895087 484112165 /nfs/dbraw/zinc/11/21/65/484112165.db2.gz OXPGNYCWGKPIMH-UHFFFAOYSA-N -1 0 369.369 -0.076 20 0 FBADRM O=C(N1CCOCC1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000438905684 484113885 /nfs/dbraw/zinc/11/38/85/484113885.db2.gz RSKMSFJLBZTCKU-UHFFFAOYSA-N -1 0 374.385 -0.111 20 0 FBADRM O=C(NC1CC1)C(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000438917957 484114323 /nfs/dbraw/zinc/11/43/23/484114323.db2.gz JTHQCDSJYNYKFL-UHFFFAOYSA-N -1 0 372.369 -0.758 20 0 FBADRM CCC[C@H](NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C)c1nnn[n-]1 ZINC000438932779 484114096 /nfs/dbraw/zinc/11/40/96/484114096.db2.gz CZRZGWMGAKPPEZ-JTQLQIEISA-N -1 0 372.389 -0.275 20 0 FBADRM CCC[C@@H](NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C)c1nnn[n-]1 ZINC000438932783 484113679 /nfs/dbraw/zinc/11/36/79/484113679.db2.gz CZRZGWMGAKPPEZ-SNVBAGLBSA-N -1 0 372.389 -0.275 20 0 FBADRM C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000439009113 484116553 /nfs/dbraw/zinc/11/65/53/484116553.db2.gz NUUPJDUMTHBBRT-CMPLNLGQSA-N -1 0 371.463 -0.276 20 0 FBADRM C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000439009119 484117466 /nfs/dbraw/zinc/11/74/66/484117466.db2.gz NUUPJDUMTHBBRT-JQWIXIFHSA-N -1 0 371.463 -0.276 20 0 FBADRM C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000439009121 484116612 /nfs/dbraw/zinc/11/66/12/484116612.db2.gz NUUPJDUMTHBBRT-PWSUYJOCSA-N -1 0 371.463 -0.276 20 0 FBADRM C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000439009123 484116969 /nfs/dbraw/zinc/11/69/69/484116969.db2.gz NUUPJDUMTHBBRT-ZYHUDNBSSA-N -1 0 371.463 -0.276 20 0 FBADRM COCCn1cc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)cn1 ZINC000439038982 484117291 /nfs/dbraw/zinc/11/72/91/484117291.db2.gz KRICRFPXSBBNDF-UHFFFAOYSA-N -1 0 360.417 -0.022 20 0 FBADRM COCCn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)N(C)C)c2)cn1 ZINC000439040696 484117072 /nfs/dbraw/zinc/11/70/72/484117072.db2.gz OKWSXHGPDOQUHO-UHFFFAOYSA-N -1 0 356.408 -0.385 20 0 FBADRM COCCn1cc(S(=O)(=O)[N-]c2ccn(CC(=O)N(C)C)n2)cn1 ZINC000439054183 484118545 /nfs/dbraw/zinc/11/85/45/484118545.db2.gz ZDLISQWHPWLLTM-UHFFFAOYSA-N -1 0 356.408 -0.385 20 0 FBADRM Cc1cc([N-]S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)nn1C ZINC000439057870 484118303 /nfs/dbraw/zinc/11/83/03/484118303.db2.gz PIZIVODZMJEYJO-UHFFFAOYSA-N -1 0 350.360 -0.123 20 0 FBADRM COCC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C(=O)OC ZINC000439062251 484118496 /nfs/dbraw/zinc/11/84/96/484118496.db2.gz XGPWZWLKLBAAOK-GFCCVEGCSA-N -1 0 374.415 -0.050 20 0 FBADRM COCC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C(=O)OC ZINC000439062252 484118708 /nfs/dbraw/zinc/11/87/08/484118708.db2.gz XGPWZWLKLBAAOK-LBPRGKRZSA-N -1 0 374.415 -0.050 20 0 FBADRM COCCn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)NC3CC3)c2)cn1 ZINC000439068992 484117997 /nfs/dbraw/zinc/11/79/97/484117997.db2.gz RTFBTTVKZAOYEY-UHFFFAOYSA-N -1 0 368.419 -0.195 20 0 FBADRM CN(C)S(=O)(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439089866 484119471 /nfs/dbraw/zinc/11/94/71/484119471.db2.gz LOQSSSXDHWEXEZ-UHFFFAOYSA-N -1 0 368.403 -0.757 20 0 FBADRM CCS(=O)(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439092190 484120164 /nfs/dbraw/zinc/12/01/64/484120164.db2.gz PQZSNZSOLSRJRE-UHFFFAOYSA-N -1 0 353.388 -0.213 20 0 FBADRM CCNS(=O)(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439094030 484119442 /nfs/dbraw/zinc/11/94/42/484119442.db2.gz HRNKEQWQZIGGSR-UHFFFAOYSA-N -1 0 368.403 -0.709 20 0 FBADRM COC(=O)CCOc1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000439190603 484122663 /nfs/dbraw/zinc/12/26/63/484122663.db2.gz PFPYVBXXYRRVOY-UHFFFAOYSA-N -1 0 371.371 -0.174 20 0 FBADRM CCS(=O)(=O)c1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000439193031 484122777 /nfs/dbraw/zinc/12/27/77/484122777.db2.gz QNEFIVZZABEKRV-UHFFFAOYSA-N -1 0 361.401 -0.323 20 0 FBADRM O=C(CN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1)NCC1CC1 ZINC000439267834 484126266 /nfs/dbraw/zinc/12/62/66/484126266.db2.gz BFPFVVYMDYOYEQ-UHFFFAOYSA-N -1 0 372.413 -0.037 20 0 FBADRM C[C@H](C(=O)N(C)C)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439276462 484125318 /nfs/dbraw/zinc/12/53/18/484125318.db2.gz ULNQVQMKGVBIOM-SECBINFHSA-N -1 0 360.402 -0.086 20 0 FBADRM C[C@@H](C(=O)N(C)C)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439276463 484125053 /nfs/dbraw/zinc/12/50/53/484125053.db2.gz ULNQVQMKGVBIOM-VIFPVBQESA-N -1 0 360.402 -0.086 20 0 FBADRM Cn1nnnc1CN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439276873 484125807 /nfs/dbraw/zinc/12/58/07/484125807.db2.gz SQWCEMVJVBHOSV-UHFFFAOYSA-N -1 0 357.362 -0.839 20 0 FBADRM Cn1cc(CN2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)nn1 ZINC000439282202 484125254 /nfs/dbraw/zinc/12/52/54/484125254.db2.gz HGJUBMSQYRQYLD-UHFFFAOYSA-N -1 0 356.374 -0.234 20 0 FBADRM O=C(CN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1)NC1CC1 ZINC000439284024 484125273 /nfs/dbraw/zinc/12/52/73/484125273.db2.gz LEUZVHREZWHBKC-UHFFFAOYSA-N -1 0 358.386 -0.284 20 0 FBADRM O=C(CN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1)N1CCC1 ZINC000439285052 484125754 /nfs/dbraw/zinc/12/57/54/484125754.db2.gz NFMOUTCDMMQQHA-UHFFFAOYSA-N -1 0 358.386 -0.331 20 0 FBADRM CN1CC[C@H](N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)C1=O ZINC000439285973 484126084 /nfs/dbraw/zinc/12/60/84/484126084.db2.gz QCRPBURYKFOUNS-JTQLQIEISA-N -1 0 358.386 -0.332 20 0 FBADRM CN1CC[C@@H](N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)C1=O ZINC000439285974 658976999 /nfs/dbraw/zinc/97/69/99/658976999.db2.gz QCRPBURYKFOUNS-SNVBAGLBSA-N -1 0 358.386 -0.332 20 0 FBADRM CCN(C)C(=O)CN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439286450 484125082 /nfs/dbraw/zinc/12/50/82/484125082.db2.gz RKMQBIOSKMSCNM-UHFFFAOYSA-N -1 0 360.402 -0.085 20 0 FBADRM O=C1NCCC[C@@H]1N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439289663 658976918 /nfs/dbraw/zinc/97/69/18/658976918.db2.gz NZHWMRNYAKMGLY-JTQLQIEISA-N -1 0 358.386 -0.284 20 0 FBADRM O=C1NCCC[C@H]1N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439289664 483794698 /nfs/dbraw/zinc/79/46/98/483794698.db2.gz NZHWMRNYAKMGLY-SNVBAGLBSA-N -1 0 358.386 -0.284 20 0 FBADRM CC(C)NC(=O)CN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439291621 484125619 /nfs/dbraw/zinc/12/56/19/484125619.db2.gz GNXVHMZYROGEFC-UHFFFAOYSA-N -1 0 360.402 -0.038 20 0 FBADRM Cn1ncnc1CN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439295851 483796245 /nfs/dbraw/zinc/79/62/45/483796245.db2.gz OBCFMLDQGNXCIS-UHFFFAOYSA-N -1 0 356.374 -0.234 20 0 FBADRM CN(CCN1CCOCC1)C(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000439545758 484130090 /nfs/dbraw/zinc/13/00/90/484130090.db2.gz GZPKQYQFUZIISW-UHFFFAOYSA-N -1 0 355.464 -0.013 20 0 FBADRM CCn1cnc(S(=O)(=O)[N-]c2cnn(CC(=O)NCCOC)c2)c1 ZINC000439561740 484131888 /nfs/dbraw/zinc/13/18/88/484131888.db2.gz JGDQYUMBCBWLPA-UHFFFAOYSA-N -1 0 356.408 -0.337 20 0 FBADRM CCn1cnc(S(=O)(=O)[N-]c2cccc(C(=O)NCC(N)=O)c2)c1 ZINC000439569265 484132865 /nfs/dbraw/zinc/13/28/65/484132865.db2.gz JWPANJHVOCKHSD-UHFFFAOYSA-N -1 0 351.388 -0.081 20 0 FBADRM CCn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(N)=O)cc2)c1 ZINC000439573568 484132373 /nfs/dbraw/zinc/13/23/73/484132373.db2.gz PGBHEBMCTBZBEE-UHFFFAOYSA-N -1 0 351.388 -0.081 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(C(=O)OC)n(C)c2)cn1 ZINC000439577669 484132054 /nfs/dbraw/zinc/13/20/54/484132054.db2.gz XHUALELRLNKZNN-UHFFFAOYSA-N -1 0 356.360 -0.018 20 0 FBADRM Cc1cccc2c(=O)n(CC(=O)NCc3cn(CC(=O)[O-])nn3)cnc12 ZINC000439688066 484136127 /nfs/dbraw/zinc/13/61/27/484136127.db2.gz FGGRVHRKULGWHV-UHFFFAOYSA-N -1 0 356.342 -0.303 20 0 FBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000439694639 484135591 /nfs/dbraw/zinc/13/55/91/484135591.db2.gz CBOYXWGJLJWGGI-UHFFFAOYSA-N -1 0 370.391 -0.693 20 0 FBADRM C[C@@H](NC(=O)COc1ccccc1)C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000439694905 484135056 /nfs/dbraw/zinc/13/50/56/484135056.db2.gz JOMZWWNRQBPCQC-LLVKDONJSA-N -1 0 361.358 -0.437 20 0 FBADRM C[C@H](NC(=O)COc1ccccc1)C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000439694906 484135960 /nfs/dbraw/zinc/13/59/60/484135960.db2.gz JOMZWWNRQBPCQC-NSHDSACASA-N -1 0 361.358 -0.437 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000439699429 484135099 /nfs/dbraw/zinc/13/50/99/484135099.db2.gz UTMBYAGLBIYENO-JTQLQIEISA-N -1 0 367.387 -0.654 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000439699431 484135524 /nfs/dbraw/zinc/13/55/24/484135524.db2.gz UTMBYAGLBIYENO-SNVBAGLBSA-N -1 0 367.387 -0.654 20 0 FBADRM Cc1cc(C(=O)NCc2cn(CC(=O)[O-])nn2)cc(S(N)(=O)=O)c1C ZINC000439699523 484135861 /nfs/dbraw/zinc/13/58/61/484135861.db2.gz VICPFQJBMWQLHO-UHFFFAOYSA-N -1 0 367.387 -0.443 20 0 FBADRM O=C([O-])Cn1cc(CNC(=O)c2ccc(=O)n(-c3ccccc3F)n2)nn1 ZINC000439700329 484135388 /nfs/dbraw/zinc/13/53/88/484135388.db2.gz XHMOVMTYWRBAHP-UHFFFAOYSA-N -1 0 372.316 -0.022 20 0 FBADRM O=C([O-])Cn1cc(CNC(=O)CNC(=O)c2cc3ccccc3[nH]2)nn1 ZINC000439702417 484135468 /nfs/dbraw/zinc/13/54/68/484135468.db2.gz CZOXQBFBMSICKL-UHFFFAOYSA-N -1 0 356.342 -0.110 20 0 FBADRM O=C([O-])Cn1cc(CNC(=O)COc2ccc3c(c2)CCC(=O)N3)nn1 ZINC000439704897 484135187 /nfs/dbraw/zinc/13/51/87/484135187.db2.gz GVYIBEDYBSPACA-UHFFFAOYSA-N -1 0 359.342 -0.057 20 0 FBADRM O=C([O-])Cn1cc(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)nn1 ZINC000439707084 484135965 /nfs/dbraw/zinc/13/59/65/484135965.db2.gz HWFSTDFVXUZTEJ-UHFFFAOYSA-N -1 0 358.314 -0.905 20 0 FBADRM CNS(=O)(=O)c1cccc(C(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000439708474 484135362 /nfs/dbraw/zinc/13/53/62/484135362.db2.gz MARSLBVGLBHJSS-UHFFFAOYSA-N -1 0 353.360 -0.799 20 0 FBADRM O=C([O-])Cn1cc(CNC(=O)CNC(=O)NCc2ccc(F)cc2)nn1 ZINC000439711418 484135650 /nfs/dbraw/zinc/13/56/50/484135650.db2.gz VREYAYMIZAYWDO-UHFFFAOYSA-N -1 0 364.337 -0.383 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)NCc2cn(CC(=O)[O-])nn2)cc1 ZINC000439713070 484135291 /nfs/dbraw/zinc/13/52/91/484135291.db2.gz ZVKUCTMSQNWSIC-UHFFFAOYSA-N -1 0 353.360 -0.799 20 0 FBADRM CCNS(=O)(=O)c1cccc(C(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000439716781 484135735 /nfs/dbraw/zinc/13/57/35/484135735.db2.gz IMMPZPXRPWWEJB-UHFFFAOYSA-N -1 0 367.387 -0.409 20 0 FBADRM O=C([O-])Cn1cc(CNC(=O)[C@H]2CCCCN2C(=O)[C@H]2CCCO2)nn1 ZINC000439720116 484135040 /nfs/dbraw/zinc/13/50/40/484135040.db2.gz PLGDRRVEZXSHHP-CHWSQXEVSA-N -1 0 365.390 -0.461 20 0 FBADRM O=C([O-])Cn1cc(CNC(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCCO2)nn1 ZINC000439720118 484134991 /nfs/dbraw/zinc/13/49/91/484134991.db2.gz PLGDRRVEZXSHHP-OLZOCXBDSA-N -1 0 365.390 -0.461 20 0 FBADRM O=C([O-])Cn1cc(CNC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCO2)nn1 ZINC000439720120 484135032 /nfs/dbraw/zinc/13/50/32/484135032.db2.gz PLGDRRVEZXSHHP-QWHCGFSZSA-N -1 0 365.390 -0.461 20 0 FBADRM O=C([O-])Cn1cc(CNC(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCO2)nn1 ZINC000439720121 484135684 /nfs/dbraw/zinc/13/56/84/484135684.db2.gz PLGDRRVEZXSHHP-STQMWFEESA-N -1 0 365.390 -0.461 20 0 FBADRM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000439720699 484135876 /nfs/dbraw/zinc/13/58/76/484135876.db2.gz RJRGEIVINITYCH-AWEZNQCLSA-N -1 0 360.374 -0.172 20 0 FBADRM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000439720700 484135560 /nfs/dbraw/zinc/13/55/60/484135560.db2.gz RJRGEIVINITYCH-CQSZACIVSA-N -1 0 360.374 -0.172 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)c2cnc(C(=O)[O-])cn2)cc1 ZINC000439893593 484140021 /nfs/dbraw/zinc/14/00/21/484140021.db2.gz LMVLQMLHFBGTIY-UHFFFAOYSA-N -1 0 350.356 -0.205 20 0 FBADRM O=C([O-])c1cnc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cn1 ZINC000439909735 484140009 /nfs/dbraw/zinc/14/00/09/484140009.db2.gz LGNHWUPMQDFTDJ-UHFFFAOYSA-N -1 0 361.358 -0.918 20 0 FBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)c2cnc(C(=O)[O-])cn2)cc1 ZINC000439915956 484139479 /nfs/dbraw/zinc/13/94/79/484139479.db2.gz YYEKYAVDLOWAER-UHFFFAOYSA-N -1 0 357.326 -0.680 20 0 FBADRM O=C([O-])c1cnc(C(=O)NCCNS(=O)(=O)c2ccccc2)cn1 ZINC000439930790 484140806 /nfs/dbraw/zinc/14/08/06/484140806.db2.gz FLUXWLPNDYYKRI-UHFFFAOYSA-N -1 0 350.356 -0.117 20 0 FBADRM O=C([O-])c1cnc(C(=O)NCCNS(=O)(=O)Cc2ccon2)cn1 ZINC000439931248 484140695 /nfs/dbraw/zinc/14/06/95/484140695.db2.gz KNGFNBBURDFNIX-UHFFFAOYSA-N -1 0 355.332 -0.988 20 0 FBADRM CCS(=O)(=O)N1CC(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000439962990 484142200 /nfs/dbraw/zinc/14/22/00/484142200.db2.gz SOQBGPQIRTXQQQ-UHFFFAOYSA-N -1 0 367.387 -0.553 20 0 FBADRM O=C(Cn1cccn1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000440012678 484141909 /nfs/dbraw/zinc/14/19/09/484141909.db2.gz LKLLRWRJOOTQOV-UHFFFAOYSA-N -1 0 369.369 -0.140 20 0 FBADRM O=C(Cc1cc[nH]n1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000440018533 658913165 /nfs/dbraw/zinc/91/31/65/658913165.db2.gz IOJUZDNDCMPZNN-UHFFFAOYSA-N -1 0 369.369 -0.071 20 0 FBADRM O=C([C@H]1CNC(=O)C1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000440023478 484143888 /nfs/dbraw/zinc/14/38/88/484143888.db2.gz BIGKFOFQHWRNAV-MRVPVSSYSA-N -1 0 372.369 -0.900 20 0 FBADRM O=C([C@@H]1CNC(=O)C1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000440023479 484143676 /nfs/dbraw/zinc/14/36/76/484143676.db2.gz BIGKFOFQHWRNAV-QMMMGPOBSA-N -1 0 372.369 -0.900 20 0 FBADRM CC1(C)C[S@](=O)CCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000440061195 484144660 /nfs/dbraw/zinc/14/46/60/484144660.db2.gz IYPFUYSLFRIXKD-HSZRJFAPSA-N -1 0 372.428 -0.032 20 0 FBADRM CC1(C)C[S@@](=O)CCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000440061196 484144474 /nfs/dbraw/zinc/14/44/74/484144474.db2.gz IYPFUYSLFRIXKD-QHCPKHFHSA-N -1 0 372.428 -0.032 20 0 FBADRM CNS(=O)(=O)CCNC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000440170367 484149952 /nfs/dbraw/zinc/14/99/52/484149952.db2.gz BIHSUVXQJFAZCQ-UHFFFAOYSA-N -1 0 369.852 -0.010 20 0 FBADRM Cc1c(C(=O)NCCCc2n[nH]c(=O)[n-]2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000440269463 484152316 /nfs/dbraw/zinc/15/23/16/484152316.db2.gz PBSCIYJJZSPJKA-UHFFFAOYSA-N -1 0 373.373 -0.873 20 0 FBADRM CC(C)(C)c1nc(=NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)s[n-]1 ZINC000440270867 484152706 /nfs/dbraw/zinc/15/27/06/484152706.db2.gz KMGMYVMZFFMDRG-SSDOTTSWSA-N -1 0 361.449 -0.915 20 0 FBADRM CC(C)(C)c1nc(=NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)s[n-]1 ZINC000440270869 484152910 /nfs/dbraw/zinc/15/29/10/484152910.db2.gz KMGMYVMZFFMDRG-ZETCQYMHSA-N -1 0 361.449 -0.915 20 0 FBADRM COc1cccc(-c2nc(=NC(=O)C(=O)N[C@H]3CNC(=O)C3)s[n-]2)c1 ZINC000440470739 484163644 /nfs/dbraw/zinc/16/36/44/484163644.db2.gz OHNAKIUQCXOPGI-SECBINFHSA-N -1 0 361.383 -0.421 20 0 FBADRM COc1cccc(-c2nc(=NC(=O)C(=O)N[C@@H]3CNC(=O)C3)s[n-]2)c1 ZINC000440470740 484164606 /nfs/dbraw/zinc/16/46/06/484164606.db2.gz OHNAKIUQCXOPGI-VIFPVBQESA-N -1 0 361.383 -0.421 20 0 FBADRM Cn1nnc(CN2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)n1 ZINC000440502962 484165475 /nfs/dbraw/zinc/16/54/75/484165475.db2.gz SSYGRZMPOHKZFL-UHFFFAOYSA-N -1 0 357.362 -0.839 20 0 FBADRM O=S(=O)(NCCNc1ccc2nnnn2n1)c1ccc(F)cc1F ZINC000440666274 484389540 /nfs/dbraw/zinc/38/95/40/484389540.db2.gz CNBDHVIFIRMSAE-UHFFFAOYSA-N -1 0 355.330 0.188 20 0 FBADRM CC(C)(C)c1nc(=NC(=O)C(=O)N2CCN3C(=O)N=NC3C2)s[n-]1 ZINC000440794563 484173792 /nfs/dbraw/zinc/17/37/92/484173792.db2.gz RDYBSRCTKKUAHB-UHFFFAOYSA-N -1 0 351.392 -0.465 20 0 FBADRM CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000441341805 484188743 /nfs/dbraw/zinc/18/87/43/484188743.db2.gz WASMJIVZIVNCCA-AWEZNQCLSA-N -1 0 358.420 -0.374 20 0 FBADRM CCOC(=O)[C@](C)(O)CNC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000441341806 484189336 /nfs/dbraw/zinc/18/93/36/484189336.db2.gz WASMJIVZIVNCCA-CQSZACIVSA-N -1 0 358.420 -0.374 20 0 FBADRM COC(=O)Cn1cc(CNC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)nn1 ZINC000441624685 484197829 /nfs/dbraw/zinc/19/78/29/484197829.db2.gz RUYBPWSZWJQQNY-UHFFFAOYSA-N -1 0 373.329 -0.561 20 0 FBADRM COC(=O)Cn1cc(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)nn1 ZINC000442017023 484209114 /nfs/dbraw/zinc/20/91/14/484209114.db2.gz QMILJJYPCBDFJN-UHFFFAOYSA-N -1 0 373.373 -0.325 20 0 FBADRM COC(=O)[C@@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)[C@H]1C(=O)OC ZINC000442143734 484216209 /nfs/dbraw/zinc/21/62/09/484216209.db2.gz XITCUZBLVOEQPG-PSASIEDQSA-N -1 0 353.331 -0.947 20 0 FBADRM COC(=O)[C@@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)[C@@H]1C(=O)OC ZINC000442143735 484216070 /nfs/dbraw/zinc/21/60/70/484216070.db2.gz XITCUZBLVOEQPG-SCZZXKLOSA-N -1 0 353.331 -0.947 20 0 FBADRM COC(=O)[C@H]1[C@@H](C(=O)OC)CCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000442143736 484216031 /nfs/dbraw/zinc/21/60/31/484216031.db2.gz XITCUZBLVOEQPG-WCBMZHEXSA-N -1 0 353.331 -0.947 20 0 FBADRM COC(=O)[C@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)[C@@H]1C(=O)OC ZINC000442143737 484216136 /nfs/dbraw/zinc/21/61/36/484216136.db2.gz XITCUZBLVOEQPG-WPRPVWTQSA-N -1 0 353.331 -0.947 20 0 FBADRM COC(=O)Cn1cc(CNC(=O)c2ccccc2[N-]S(C)(=O)=O)nn1 ZINC000442183144 484216107 /nfs/dbraw/zinc/21/61/07/484216107.db2.gz KRIGZSRTGGYHDT-UHFFFAOYSA-N -1 0 367.387 -0.247 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1n[nH]c(C)c1C(N)=O ZINC000442217569 484216117 /nfs/dbraw/zinc/21/61/17/484216117.db2.gz JTUWJJJDUWCJHI-UHFFFAOYSA-N -1 0 373.416 -0.474 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C(N)=O)nc1 ZINC000442241315 484216346 /nfs/dbraw/zinc/21/63/46/484216346.db2.gz KHLKJWYMJPYUBY-UHFFFAOYSA-N -1 0 370.412 -0.111 20 0 FBADRM COC(=O)Cn1cc(CNC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)nn1 ZINC000442261560 484217533 /nfs/dbraw/zinc/21/75/33/484217533.db2.gz STPPBOBSAGTAQH-UHFFFAOYSA-N -1 0 358.314 -0.276 20 0 FBADRM CC(C)(C)c1nc(=NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)s[n-]1 ZINC000442289004 484219534 /nfs/dbraw/zinc/21/95/34/484219534.db2.gz YIIJHDIPGMWCDK-SECBINFHSA-N -1 0 369.447 -0.705 20 0 FBADRM CC(C)(C)c1nc(=NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)s[n-]1 ZINC000442289006 484219727 /nfs/dbraw/zinc/21/97/27/484219727.db2.gz YIIJHDIPGMWCDK-VIFPVBQESA-N -1 0 369.447 -0.705 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cnn(CC(N)=O)c1 ZINC000442345460 484222334 /nfs/dbraw/zinc/22/23/34/484222334.db2.gz GLQFGLJLFNTRPU-UHFFFAOYSA-N -1 0 373.416 -0.923 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1 ZINC000442353285 484222974 /nfs/dbraw/zinc/22/29/74/484222974.db2.gz BXDFEJZEAFEMIK-UHFFFAOYSA-N -1 0 373.416 -0.923 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ncn(C)c2C(N)=O)cn1C ZINC000442594277 484227695 /nfs/dbraw/zinc/22/76/95/484227695.db2.gz CLIBXKZNARWYPE-UHFFFAOYSA-N -1 0 355.376 -0.165 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1C(N)=O ZINC000442596338 484227743 /nfs/dbraw/zinc/22/77/43/484227743.db2.gz FKTFCQMDYZNMJC-UHFFFAOYSA-N -1 0 358.401 -0.277 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C(N)=O)c(=O)n(C)c1=O ZINC000442597342 484228562 /nfs/dbraw/zinc/22/85/62/484228562.db2.gz AEKUCLDCDFMIOO-UHFFFAOYSA-N -1 0 372.790 -0.363 20 0 FBADRM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ncn(C)c2C(N)=O)cc1 ZINC000442603571 484227878 /nfs/dbraw/zinc/22/78/78/484227878.db2.gz XXXRAXPBLVWECZ-UHFFFAOYSA-N -1 0 368.371 -0.128 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1C(N)=O ZINC000442606170 484228343 /nfs/dbraw/zinc/22/83/43/484228343.db2.gz NPVBYTWMDOLGKH-UHFFFAOYSA-N -1 0 370.412 -0.350 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1C(N)=O ZINC000442606813 484228004 /nfs/dbraw/zinc/22/80/04/484228004.db2.gz PSHVTANGNYIZEN-UHFFFAOYSA-N -1 0 364.387 -0.490 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)c1C(N)=O ZINC000442616038 484228408 /nfs/dbraw/zinc/22/84/08/484228408.db2.gz DWALBGKDBNUHJY-UHFFFAOYSA-N -1 0 362.375 -0.490 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2ncn(C)c2C(N)=O)ccc1O ZINC000442616853 484227939 /nfs/dbraw/zinc/22/79/39/484227939.db2.gz HEJXNGIDGSANEX-UHFFFAOYSA-N -1 0 354.344 -0.188 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ncn(C)c2C(N)=O)cc1 ZINC000442616934 484228590 /nfs/dbraw/zinc/22/85/90/484228590.db2.gz NDFXYRRLMVUOFU-UHFFFAOYSA-N -1 0 373.416 -0.772 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)c1C(N)=O ZINC000442619023 484228690 /nfs/dbraw/zinc/22/86/90/484228690.db2.gz JPUQIRMYDRPBHD-UHFFFAOYSA-N -1 0 359.389 -0.882 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1C(N)=O ZINC000442620302 484228257 /nfs/dbraw/zinc/22/82/57/484228257.db2.gz VUYLGWFUNDWCSM-UHFFFAOYSA-N -1 0 363.355 -0.454 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1C(N)=O ZINC000442620494 484227793 /nfs/dbraw/zinc/22/77/93/484227793.db2.gz SBZSBLWTQYXEFI-UHFFFAOYSA-N -1 0 358.401 -0.277 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ncn(C)c2C(N)=O)c1 ZINC000442621790 484228660 /nfs/dbraw/zinc/22/86/60/484228660.db2.gz BTUVETRVAJBADD-UHFFFAOYSA-N -1 0 373.416 -0.772 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)c2ccccc2Cn2cncn2)c1C(N)=O ZINC000442623580 484034035 /nfs/dbraw/zinc/03/40/35/484034035.db2.gz FAWGFQUUCUVWGQ-UHFFFAOYSA-N -1 0 361.387 -0.040 20 0 FBADRM Cc1cc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C(N)=O)cc1F ZINC000442625832 484228711 /nfs/dbraw/zinc/22/87/11/484228711.db2.gz WXYUEJVOSIRZDD-UHFFFAOYSA-N -1 0 370.362 -0.569 20 0 FBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000442739911 484229889 /nfs/dbraw/zinc/22/98/89/484229889.db2.gz GFWAGRFGUXRHGB-JTQLQIEISA-N -1 0 350.375 -0.250 20 0 FBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000442739913 484230326 /nfs/dbraw/zinc/23/03/26/484230326.db2.gz GFWAGRFGUXRHGB-SNVBAGLBSA-N -1 0 350.375 -0.250 20 0 FBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCS(=O)(=O)NCC(=O)NC(C)C ZINC000442744397 484229529 /nfs/dbraw/zinc/22/95/29/484229529.db2.gz HIPXCJWQNFGIEQ-LLVKDONJSA-N -1 0 365.452 -0.468 20 0 FBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCS(=O)(=O)NCC(=O)NC(C)C ZINC000442744398 484230345 /nfs/dbraw/zinc/23/03/45/484230345.db2.gz HIPXCJWQNFGIEQ-NSHDSACASA-N -1 0 365.452 -0.468 20 0 FBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000442746061 484229102 /nfs/dbraw/zinc/22/91/02/484229102.db2.gz QQMJQTVDHGNGGU-MRVPVSSYSA-N -1 0 360.392 -0.896 20 0 FBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000442746068 484230290 /nfs/dbraw/zinc/23/02/90/484230290.db2.gz QQMJQTVDHGNGGU-QMMMGPOBSA-N -1 0 360.392 -0.896 20 0 FBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000442750779 484229869 /nfs/dbraw/zinc/22/98/69/484229869.db2.gz PUEIMDZYHXXRDZ-JTQLQIEISA-N -1 0 365.390 -0.465 20 0 FBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000442750780 484229854 /nfs/dbraw/zinc/22/98/54/484229854.db2.gz PUEIMDZYHXXRDZ-SNVBAGLBSA-N -1 0 365.390 -0.465 20 0 FBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000442754141 484229154 /nfs/dbraw/zinc/22/91/54/484229154.db2.gz WACSHKUFFSKVLG-MRVPVSSYSA-N -1 0 361.376 -0.632 20 0 FBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000442754144 484230270 /nfs/dbraw/zinc/23/02/70/484230270.db2.gz WACSHKUFFSKVLG-QMMMGPOBSA-N -1 0 361.376 -0.632 20 0 FBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000442755809 484229834 /nfs/dbraw/zinc/22/98/34/484229834.db2.gz ZXSJYEWQUFAVRW-SECBINFHSA-N -1 0 351.363 -0.855 20 0 FBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000442755812 484230135 /nfs/dbraw/zinc/23/01/35/484230135.db2.gz ZXSJYEWQUFAVRW-VIFPVBQESA-N -1 0 351.363 -0.855 20 0 FBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000442771633 484075139 /nfs/dbraw/zinc/07/51/39/484075139.db2.gz PPDPYVBDCWHGQE-SECBINFHSA-N -1 0 351.363 -0.855 20 0 FBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000442771638 484075049 /nfs/dbraw/zinc/07/50/49/484075049.db2.gz PPDPYVBDCWHGQE-VIFPVBQESA-N -1 0 351.363 -0.855 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)c(OC)c1 ZINC000442817314 484231490 /nfs/dbraw/zinc/23/14/90/484231490.db2.gz GKHOCXXKPPYPHK-UHFFFAOYSA-N -1 0 368.371 -0.036 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c(OC)c1 ZINC000442847901 484232414 /nfs/dbraw/zinc/23/24/14/484232414.db2.gz YPZWSWIFBKMHAC-UHFFFAOYSA-N -1 0 368.371 -0.036 20 0 FBADRM NC(=O)c1ccc(N2CCN(S(=O)(=O)[N-]CC(F)(F)F)CC2)nc1 ZINC000442901468 484233174 /nfs/dbraw/zinc/23/31/74/484233174.db2.gz KGJSMZWQJKYICB-UHFFFAOYSA-N -1 0 367.353 -0.301 20 0 FBADRM O=S(=O)([N-]CC(F)(F)F)NCCNS(=O)(=O)c1ccccc1 ZINC000442904416 484233074 /nfs/dbraw/zinc/23/30/74/484233074.db2.gz XSSPIJZFPJCPPT-UHFFFAOYSA-N -1 0 361.367 -0.049 20 0 FBADRM CS(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000442909287 484232904 /nfs/dbraw/zinc/23/29/04/484232904.db2.gz UXEMBPHCRPHCBD-MRVPVSSYSA-N -1 0 353.388 -0.213 20 0 FBADRM CS(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)[N-]CC(F)(F)F ZINC000442909290 484232488 /nfs/dbraw/zinc/23/24/88/484232488.db2.gz UXEMBPHCRPHCBD-QMMMGPOBSA-N -1 0 353.388 -0.213 20 0 FBADRM O=c1n(CCCNS(=O)(=O)[N-]CC(F)(F)F)nc2n1CCCC2 ZINC000442910814 484233042 /nfs/dbraw/zinc/23/30/42/484233042.db2.gz FUMQKNKKIKINQU-UHFFFAOYSA-N -1 0 357.358 -0.243 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000442911026 484153577 /nfs/dbraw/zinc/15/35/77/484153577.db2.gz YBCIOXVIUYOOGU-UHFFFAOYSA-N -1 0 360.358 -0.948 20 0 FBADRM O=C(C(=O)N1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1)N1CCCC1 ZINC000442924865 484233550 /nfs/dbraw/zinc/23/35/50/484233550.db2.gz ZGBJNCBRGRPQRP-UHFFFAOYSA-N -1 0 372.369 -0.850 20 0 FBADRM O=S(=O)(CCNS(=O)(=O)[N-]CC(F)(F)F)NCC1CCC1 ZINC000442946190 484234252 /nfs/dbraw/zinc/23/42/52/484234252.db2.gz BZGKTMORFCHTMT-UHFFFAOYSA-N -1 0 353.388 -0.308 20 0 FBADRM O=S(=O)(CCNS(=O)(=O)[N-]CC(F)(F)F)N1CCSCC1 ZINC000442948054 484236909 /nfs/dbraw/zinc/23/69/09/484236909.db2.gz UBAZGFLCOWMIBF-UHFFFAOYSA-N -1 0 371.428 -0.649 20 0 FBADRM Cn1cc(N2CCC[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)C2=O)cn1 ZINC000442957279 484234943 /nfs/dbraw/zinc/23/49/43/484234943.db2.gz SJQRMMHRODPYFO-SECBINFHSA-N -1 0 355.342 -0.098 20 0 FBADRM Cn1cc(N2CCC[C@H](NS(=O)(=O)[N-]CC(F)(F)F)C2=O)cn1 ZINC000442957280 484235031 /nfs/dbraw/zinc/23/50/31/484235031.db2.gz SJQRMMHRODPYFO-VIFPVBQESA-N -1 0 355.342 -0.098 20 0 FBADRM COC(=O)CN(CCN1CCOCC1)S(=O)(=O)[N-]CC(F)(F)F ZINC000442959090 484278618 /nfs/dbraw/zinc/27/86/18/484278618.db2.gz UNULNIGZLOCIQU-UHFFFAOYSA-N -1 0 363.358 -0.810 20 0 FBADRM O=S(=O)([N-]CC(F)(F)F)N1CCN(c2ccc3nncn3n2)CC1 ZINC000442959538 484235769 /nfs/dbraw/zinc/23/57/69/484235769.db2.gz ZSTCIUWWGBQQQU-UHFFFAOYSA-N -1 0 365.341 -0.357 20 0 FBADRM NC(=O)c1cccnc1N1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000442976024 484235288 /nfs/dbraw/zinc/23/52/88/484235288.db2.gz HPFKRPVQMOSPFG-UHFFFAOYSA-N -1 0 367.353 -0.301 20 0 FBADRM CS(=O)(=O)N1CCC(CNS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000442990206 484234803 /nfs/dbraw/zinc/23/48/03/484234803.db2.gz QCXUQEPTNQGKOC-UHFFFAOYSA-N -1 0 353.388 -0.356 20 0 FBADRM O=S(=O)([N-]CC(F)(F)F)NCCNS(=O)(=O)c1cccnc1 ZINC000443020081 484237190 /nfs/dbraw/zinc/23/71/90/484237190.db2.gz FEEBGGMKTORKIR-UHFFFAOYSA-N -1 0 362.355 -0.654 20 0 FBADRM Cc1nc(C)n(C[C@@H]2CN(S(=O)(=O)[N-]CC(F)(F)F)CCO2)n1 ZINC000443026215 484236595 /nfs/dbraw/zinc/23/65/95/484236595.db2.gz PUCKAFJHMLDLDF-JTQLQIEISA-N -1 0 357.358 -0.008 20 0 FBADRM Cc1nc(C)n(C[C@H]2CN(S(=O)(=O)[N-]CC(F)(F)F)CCO2)n1 ZINC000443026218 484236692 /nfs/dbraw/zinc/23/66/92/484236692.db2.gz PUCKAFJHMLDLDF-SNVBAGLBSA-N -1 0 357.358 -0.008 20 0 FBADRM Cn1ccnc(N2CCN(S(=O)(=O)[N-]CC(F)(F)F)CC2)c1=O ZINC000443031259 484237342 /nfs/dbraw/zinc/23/73/42/484237342.db2.gz WMTCZWTXUWIVGW-UHFFFAOYSA-N -1 0 355.342 -0.701 20 0 FBADRM CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])[C@@H]1CCNC1=O ZINC000443036567 484237024 /nfs/dbraw/zinc/23/70/24/484237024.db2.gz XMAMNUCMWMQOPB-GFCCVEGCSA-N -1 0 355.416 -0.007 20 0 FBADRM CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])[C@H]1CCNC1=O ZINC000443036569 484236605 /nfs/dbraw/zinc/23/66/05/484236605.db2.gz XMAMNUCMWMQOPB-LBPRGKRZSA-N -1 0 355.416 -0.007 20 0 FBADRM Cn1ccnc1CN1CCC[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)C1=O ZINC000443039146 484238126 /nfs/dbraw/zinc/23/81/26/484238126.db2.gz GOXFZPFHPSNHGN-SECBINFHSA-N -1 0 369.369 -0.103 20 0 FBADRM Cn1ccnc1CN1CCC[C@H](NS(=O)(=O)[N-]CC(F)(F)F)C1=O ZINC000443039147 484238583 /nfs/dbraw/zinc/23/85/83/484238583.db2.gz GOXFZPFHPSNHGN-VIFPVBQESA-N -1 0 369.369 -0.103 20 0 FBADRM COC(=O)c1cn([C@@H]2CCN(S(=O)(=O)[N-]CC(F)(F)F)C2)nn1 ZINC000443042069 484238781 /nfs/dbraw/zinc/23/87/81/484238781.db2.gz XDPYZKSIUVDCLP-SSDOTTSWSA-N -1 0 357.314 -0.292 20 0 FBADRM COC(=O)c1cn([C@H]2CCN(S(=O)(=O)[N-]CC(F)(F)F)C2)nn1 ZINC000443042074 484238199 /nfs/dbraw/zinc/23/81/99/484238199.db2.gz XDPYZKSIUVDCLP-ZETCQYMHSA-N -1 0 357.314 -0.292 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)[N-]CC(F)(F)F ZINC000443049021 484238961 /nfs/dbraw/zinc/23/89/61/484238961.db2.gz OTRQZGLSANUFDP-HTQZYQBOSA-N -1 0 353.388 -0.167 20 0 FBADRM CS(=O)(=O)N[C@H]1CCCC[C@H]1NS(=O)(=O)[N-]CC(F)(F)F ZINC000443049025 484238932 /nfs/dbraw/zinc/23/89/32/484238932.db2.gz OTRQZGLSANUFDP-JGVFFNPUSA-N -1 0 353.388 -0.167 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NS(=O)(=O)[N-]CC(F)(F)F ZINC000443049027 484238296 /nfs/dbraw/zinc/23/82/96/484238296.db2.gz OTRQZGLSANUFDP-SFYZADRCSA-N -1 0 353.388 -0.167 20 0 FBADRM CS(=O)(=O)N[C@H]1CCCC[C@@H]1NS(=O)(=O)[N-]CC(F)(F)F ZINC000443049028 484515736 /nfs/dbraw/zinc/51/57/36/484515736.db2.gz OTRQZGLSANUFDP-YUMQZZPRSA-N -1 0 353.388 -0.167 20 0 FBADRM COC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)[N-]CC(F)(F)F ZINC000443049642 484238069 /nfs/dbraw/zinc/23/80/69/484238069.db2.gz PDTUAFRHJAFBPK-QMMMGPOBSA-N -1 0 363.358 -0.323 20 0 FBADRM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000443055115 484238085 /nfs/dbraw/zinc/23/80/85/484238085.db2.gz YHFGQIYCWXCJEI-NOZJJQNGSA-N -1 0 355.416 -0.103 20 0 FBADRM C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000443055119 484238730 /nfs/dbraw/zinc/23/87/30/484238730.db2.gz YHFGQIYCWXCJEI-RNCFNFMXSA-N -1 0 355.416 -0.103 20 0 FBADRM C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000443055121 484238476 /nfs/dbraw/zinc/23/84/76/484238476.db2.gz YHFGQIYCWXCJEI-TVQRCGJNSA-N -1 0 355.416 -0.103 20 0 FBADRM C[C@H]1CCNC(=O)[C@H]1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000443055123 484238873 /nfs/dbraw/zinc/23/88/73/484238873.db2.gz YHFGQIYCWXCJEI-ZANVPECISA-N -1 0 355.416 -0.103 20 0 FBADRM CCN([C@@H]1CCNC1=O)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000443080584 484239480 /nfs/dbraw/zinc/23/94/80/484239480.db2.gz UKIMMMZLMWSCON-SECBINFHSA-N -1 0 353.360 -0.665 20 0 FBADRM CCN([C@H]1CCNC1=O)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000443080588 484239807 /nfs/dbraw/zinc/23/98/07/484239807.db2.gz UKIMMMZLMWSCON-VIFPVBQESA-N -1 0 353.360 -0.665 20 0 FBADRM C[S@@](=O)C1(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000443099260 484240029 /nfs/dbraw/zinc/24/00/29/484240029.db2.gz SIDFGBJMBVJAEF-JOCHJYFZSA-N -1 0 358.401 -0.375 20 0 FBADRM C[S@](=O)C1(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000443099262 484239870 /nfs/dbraw/zinc/23/98/70/484239870.db2.gz SIDFGBJMBVJAEF-QFIPXVFZSA-N -1 0 358.401 -0.375 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2c(C)csc2C(=O)OC)n1 ZINC000443153955 484241446 /nfs/dbraw/zinc/24/14/46/484241446.db2.gz OJZUOFSGPDVRNY-UHFFFAOYSA-N -1 0 373.416 -0.019 20 0 FBADRM O=S(=O)([N-]CC(F)(F)F)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000443197608 484242884 /nfs/dbraw/zinc/24/28/84/484242884.db2.gz LUNZQSPSMHCQEL-SECBINFHSA-N -1 0 365.399 -0.117 20 0 FBADRM O=S(=O)([N-]CC(F)(F)F)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000443197611 484242907 /nfs/dbraw/zinc/24/29/07/484242907.db2.gz LUNZQSPSMHCQEL-VIFPVBQESA-N -1 0 365.399 -0.117 20 0 FBADRM COCc1noc(CN2CCN(S(=O)(=O)[N-]CC(F)(F)F)CC2)n1 ZINC000443200342 484079715 /nfs/dbraw/zinc/07/97/15/484079715.db2.gz SPBLSMCDILQUET-UHFFFAOYSA-N -1 0 373.357 -0.270 20 0 FBADRM O=S(=O)([N-]CC(F)(F)F)N1CCN(c2cncc3ncnn32)CC1 ZINC000443204508 484242900 /nfs/dbraw/zinc/24/29/00/484242900.db2.gz PLDJHKVOGYIZTK-UHFFFAOYSA-N -1 0 365.341 -0.357 20 0 FBADRM Cc1c([C@H]2[C@H](NS(=O)(=O)[N-]CC(F)(F)F)CC(=O)N2C)cnn1C ZINC000443211637 484243071 /nfs/dbraw/zinc/24/30/71/484243071.db2.gz YYSBNGZOACMFAK-KOLCDFICSA-N -1 0 369.369 -0.013 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NC[C@@H](O)COCC3CC3)cc-2c(=O)[n-]1 ZINC000443211653 484243104 /nfs/dbraw/zinc/24/31/04/484243104.db2.gz ZAROKVWUCRSMEN-SECBINFHSA-N -1 0 370.387 -0.498 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NC[C@H](O)COCC3CC3)cc-2c(=O)[n-]1 ZINC000443211657 484242857 /nfs/dbraw/zinc/24/28/57/484242857.db2.gz ZAROKVWUCRSMEN-VIFPVBQESA-N -1 0 370.387 -0.498 20 0 FBADRM Cn1nccc1N1CCC[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)C1=O ZINC000443223238 484243840 /nfs/dbraw/zinc/24/38/40/484243840.db2.gz GDZPJZKPBIHCHS-MRVPVSSYSA-N -1 0 355.342 -0.098 20 0 FBADRM Cn1nccc1N1CCC[C@H](NS(=O)(=O)[N-]CC(F)(F)F)C1=O ZINC000443223239 484243914 /nfs/dbraw/zinc/24/39/14/484243914.db2.gz GDZPJZKPBIHCHS-QMMMGPOBSA-N -1 0 355.342 -0.098 20 0 FBADRM CSC[C@@H](CCO)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000443233758 484244063 /nfs/dbraw/zinc/24/40/63/484244063.db2.gz MUSHHDNEQHLWDX-SSDOTTSWSA-N -1 0 360.417 -0.172 20 0 FBADRM CSC[C@H](CCO)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000443233759 484243612 /nfs/dbraw/zinc/24/36/12/484243612.db2.gz MUSHHDNEQHLWDX-ZETCQYMHSA-N -1 0 360.417 -0.172 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NC[C@@H](O)C3CCOCC3)cc-2c(=O)[n-]1 ZINC000443279361 484249428 /nfs/dbraw/zinc/24/94/28/484249428.db2.gz YOBXCPYILNWXPJ-LLVKDONJSA-N -1 0 370.387 -0.498 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NC[C@H](O)C3CCOCC3)cc-2c(=O)[n-]1 ZINC000443279362 484248868 /nfs/dbraw/zinc/24/88/68/484248868.db2.gz YOBXCPYILNWXPJ-NSHDSACASA-N -1 0 370.387 -0.498 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCC[C@@H](OCCO)C3)cc-2c(=O)[n-]1 ZINC000443281381 484249694 /nfs/dbraw/zinc/24/96/94/484249694.db2.gz FRTPTADEQKHQEW-SECBINFHSA-N -1 0 370.387 -0.402 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCC[C@H](OCCO)C3)cc-2c(=O)[n-]1 ZINC000443281383 484249121 /nfs/dbraw/zinc/24/91/21/484249121.db2.gz FRTPTADEQKHQEW-VIFPVBQESA-N -1 0 370.387 -0.402 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000443358438 484253086 /nfs/dbraw/zinc/25/30/86/484253086.db2.gz GPXTTYWCQSOOBB-UHFFFAOYSA-N -1 0 350.360 -0.834 20 0 FBADRM Cn1ccc(S(=O)(=O)[N-]c2cnc3c(c2)c(=O)n(C)c(=O)n3C)n1 ZINC000443367878 484254511 /nfs/dbraw/zinc/25/45/11/484254511.db2.gz DOLZUAAKRROXDL-UHFFFAOYSA-N -1 0 350.360 -0.834 20 0 FBADRM Cn1c(=O)c2cc([N-]S(=O)(=O)c3cncc(F)c3)cnc2n(C)c1=O ZINC000443368289 484254211 /nfs/dbraw/zinc/25/42/11/484254211.db2.gz FHTYNIQLCSKZBY-UHFFFAOYSA-N -1 0 365.346 -0.033 20 0 FBADRM CC(C)COC[C@H](O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000443376275 484254948 /nfs/dbraw/zinc/25/49/48/484254948.db2.gz WJHQTYWTFQGSDE-SECBINFHSA-N -1 0 372.403 -0.252 20 0 FBADRM CC(C)COC[C@@H](O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000443376277 484254987 /nfs/dbraw/zinc/25/49/87/484254987.db2.gz WJHQTYWTFQGSDE-VIFPVBQESA-N -1 0 372.403 -0.252 20 0 FBADRM CCOC(=O)Cc1nnc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)s1 ZINC000443416300 484256310 /nfs/dbraw/zinc/25/63/10/484256310.db2.gz NAURWDYIDGIJOW-UHFFFAOYSA-N -1 0 373.416 -0.118 20 0 FBADRM CN(C)c1ncc([N-]S(=O)(=O)c2ccccc2S(N)(=O)=O)cn1 ZINC000443449538 484256118 /nfs/dbraw/zinc/25/61/18/484256118.db2.gz AXDKRQFAERVBSW-UHFFFAOYSA-N -1 0 357.417 -0.009 20 0 FBADRM CN(C)c1ncc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cn1 ZINC000443454131 484256069 /nfs/dbraw/zinc/25/60/69/484256069.db2.gz MQXKRVXBKRMJDF-UHFFFAOYSA-N -1 0 357.417 -0.009 20 0 FBADRM COCCCOC1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000443463145 484257532 /nfs/dbraw/zinc/25/75/32/484257532.db2.gz BLZCGGRGKGDPFP-UHFFFAOYSA-N -1 0 370.387 -0.138 20 0 FBADRM CN(C)c1ncc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cn1 ZINC000443465866 484257461 /nfs/dbraw/zinc/25/74/61/484257461.db2.gz NOJJYQZJYYCXTD-UHFFFAOYSA-N -1 0 362.371 -0.127 20 0 FBADRM CSCC[C@H](CO)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000443486441 484257793 /nfs/dbraw/zinc/25/77/93/484257793.db2.gz ILLXVIKBLWISRH-SSDOTTSWSA-N -1 0 360.417 -0.172 20 0 FBADRM CSCC[C@@H](CO)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000443486442 484257179 /nfs/dbraw/zinc/25/71/79/484257179.db2.gz ILLXVIKBLWISRH-ZETCQYMHSA-N -1 0 360.417 -0.172 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCC3(CO)CCOCC3)cc-2c(=O)[n-]1 ZINC000443505566 484260835 /nfs/dbraw/zinc/26/08/35/484260835.db2.gz AAQKCXODHYMYCY-UHFFFAOYSA-N -1 0 370.387 -0.497 20 0 FBADRM COc1ccc(C(=O)CNC(=O)CCC(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000443522107 484260818 /nfs/dbraw/zinc/26/08/18/484260818.db2.gz XLUJIYCXGJDQQH-UHFFFAOYSA-N -1 0 361.358 -0.086 20 0 FBADRM CNC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2cnn(C)c2)c1 ZINC000443529374 484261779 /nfs/dbraw/zinc/26/17/79/484261779.db2.gz LBIQXVFOSHORPZ-UHFFFAOYSA-N -1 0 351.388 -0.303 20 0 FBADRM CNC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000443532323 484261942 /nfs/dbraw/zinc/26/19/42/484261942.db2.gz SSXQBYFZWWPWJZ-UHFFFAOYSA-N -1 0 351.388 -0.303 20 0 FBADRM CNC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2c[nH]nc2C)c1 ZINC000443532506 484261842 /nfs/dbraw/zinc/26/18/42/484261842.db2.gz SASQBJJFWNHJGZ-UHFFFAOYSA-N -1 0 351.388 -0.005 20 0 FBADRM CNC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2c[nH]c(C)n2)c1 ZINC000443534291 484261834 /nfs/dbraw/zinc/26/18/34/484261834.db2.gz XYOLIROYLNUUGP-UHFFFAOYSA-N -1 0 351.388 -0.005 20 0 FBADRM CNC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccnn2C)c1 ZINC000443535221 484261456 /nfs/dbraw/zinc/26/14/56/484261456.db2.gz ZXTUUZQVPAWSBN-UHFFFAOYSA-N -1 0 351.388 -0.303 20 0 FBADRM CNC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccn(C)n2)c1 ZINC000443536257 484261593 /nfs/dbraw/zinc/26/15/93/484261593.db2.gz XUHRBDSODKGGSU-UHFFFAOYSA-N -1 0 351.388 -0.303 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(CC(=O)NC)CC1 ZINC000443616866 484263531 /nfs/dbraw/zinc/26/35/31/484263531.db2.gz UBGHIIOKDOHHCK-UHFFFAOYSA-N -1 0 368.459 -0.048 20 0 FBADRM COC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])[C@@H](C)O ZINC000443681300 484266352 /nfs/dbraw/zinc/26/63/52/484266352.db2.gz MFBUQJWXIFDNQP-PELKAZGASA-N -1 0 360.388 -0.705 20 0 FBADRM COC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])[C@@H](C)O ZINC000443681301 484266197 /nfs/dbraw/zinc/26/61/97/484266197.db2.gz MFBUQJWXIFDNQP-PRHODGIISA-N -1 0 360.388 -0.705 20 0 FBADRM COC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])[C@H](C)O ZINC000443681302 484266547 /nfs/dbraw/zinc/26/65/47/484266547.db2.gz MFBUQJWXIFDNQP-QPUJVOFHSA-N -1 0 360.388 -0.705 20 0 FBADRM COC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])[C@H](C)O ZINC000443681303 484266800 /nfs/dbraw/zinc/26/68/00/484266800.db2.gz MFBUQJWXIFDNQP-UFBFGSQYSA-N -1 0 360.388 -0.705 20 0 FBADRM C[C@@H](O)CN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])[C@H](C)CO ZINC000443805464 484272437 /nfs/dbraw/zinc/27/24/37/484272437.db2.gz WIGMWNZFWTUWTI-GHMZBOCLSA-N -1 0 360.432 -0.154 20 0 FBADRM C[C@H](CO)N(C[C@H](C)O)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000443805465 484272353 /nfs/dbraw/zinc/27/23/53/484272353.db2.gz WIGMWNZFWTUWTI-MNOVXSKESA-N -1 0 360.432 -0.154 20 0 FBADRM C[C@H](O)CN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])[C@@H](C)CO ZINC000443805467 484271781 /nfs/dbraw/zinc/27/17/81/484271781.db2.gz WIGMWNZFWTUWTI-QWRGUYRKSA-N -1 0 360.432 -0.154 20 0 FBADRM C[C@@H](O)CN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])[C@@H](C)CO ZINC000443805468 484272232 /nfs/dbraw/zinc/27/22/32/484272232.db2.gz WIGMWNZFWTUWTI-WDEREUQCSA-N -1 0 360.432 -0.154 20 0 FBADRM CCOC(=O)c1n[nH]c(C2CCN(S(=O)(=O)N3CCOCC3)CC2)n1 ZINC000443974101 484274972 /nfs/dbraw/zinc/27/49/72/484274972.db2.gz ROYWRPGTQJWAGF-UHFFFAOYSA-N -1 0 373.435 -0.262 20 0 FBADRM Cc1occc1-c1nnc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)o1 ZINC000444061610 484277786 /nfs/dbraw/zinc/27/77/86/484277786.db2.gz COHZWFUJXYVHGT-UHFFFAOYSA-N -1 0 367.343 -0.164 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2nnc(-c3ccco3)o2)c(=O)n(C)c1=O ZINC000444062791 484277515 /nfs/dbraw/zinc/27/75/15/484277515.db2.gz NUHQIGQZUVOMSN-UHFFFAOYSA-N -1 0 353.316 -0.472 20 0 FBADRM COCCO[C@@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000444226169 484282972 /nfs/dbraw/zinc/28/29/72/484282972.db2.gz XCUFEXOPVJYONM-SECBINFHSA-N -1 0 370.387 -0.138 20 0 FBADRM COCCO[C@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000444226170 484282446 /nfs/dbraw/zinc/28/24/46/484282446.db2.gz XCUFEXOPVJYONM-VIFPVBQESA-N -1 0 370.387 -0.138 20 0 FBADRM C[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)c1ncn(C)n1 ZINC000444227871 484283041 /nfs/dbraw/zinc/28/30/41/484283041.db2.gz VSVQDDFSCWCTDU-LURJTMIESA-N -1 0 351.348 -0.396 20 0 FBADRM C[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)c1ncn(C)n1 ZINC000444227872 484282846 /nfs/dbraw/zinc/28/28/46/484282846.db2.gz VSVQDDFSCWCTDU-ZCFIWIBFSA-N -1 0 351.348 -0.396 20 0 FBADRM C[C@@H](O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CC1 ZINC000444383182 484287002 /nfs/dbraw/zinc/28/70/02/484287002.db2.gz NRCMNLWWLQCCTB-GFCCVEGCSA-N -1 0 371.459 -0.219 20 0 FBADRM O=S1(=O)[N-]C(CN(CCO)CCN2CCOCC2)=Nc2ccccc21 ZINC000444397396 657463552 /nfs/dbraw/zinc/46/35/52/657463552.db2.gz CBZDEABNLFXOHW-UHFFFAOYSA-N -1 0 368.459 -0.365 20 0 FBADRM COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000444485966 484288764 /nfs/dbraw/zinc/28/87/64/484288764.db2.gz PSSBDVUPISCANO-GXSJLCMTSA-N -1 0 362.342 -0.117 20 0 FBADRM COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000444485967 484288711 /nfs/dbraw/zinc/28/87/11/484288711.db2.gz PSSBDVUPISCANO-KOLCDFICSA-N -1 0 362.342 -0.117 20 0 FBADRM COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000444485968 484288740 /nfs/dbraw/zinc/28/87/40/484288740.db2.gz PSSBDVUPISCANO-MWLCHTKSSA-N -1 0 362.342 -0.117 20 0 FBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000444485969 484288996 /nfs/dbraw/zinc/28/89/96/484288996.db2.gz PSSBDVUPISCANO-ONGXEEELSA-N -1 0 362.342 -0.117 20 0 FBADRM CCOC(=O)c1n[nH]c(C2CCN(C(=O)CS(=O)(=O)N(C)C)CC2)n1 ZINC000444762764 659885406 /nfs/dbraw/zinc/88/54/06/659885406.db2.gz SEKGEHKGLKJBQP-UHFFFAOYSA-N -1 0 373.435 -0.421 20 0 FBADRM COCCc1nsc([N-]c2ccn(CC(=O)N3CCOCC3)n2)n1 ZINC000444825423 484334127 /nfs/dbraw/zinc/33/41/27/484334127.db2.gz DQRJPKNPFLUISC-UHFFFAOYSA-N -1 0 352.420 0.526 20 0 FBADRM COCCc1nc(=Nc2cnn(CC(=O)N3CCN(C)CC3)c2)s[n-]1 ZINC000444828744 484298493 /nfs/dbraw/zinc/29/84/93/484298493.db2.gz WDZMSQWZVBUWGO-UHFFFAOYSA-N -1 0 365.463 -0.137 20 0 FBADRM COCC[C@]1(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCOC1 ZINC000445078877 484301188 /nfs/dbraw/zinc/30/11/88/484301188.db2.gz VNAPMUWZPOIWEN-AWEZNQCLSA-N -1 0 370.387 -0.090 20 0 FBADRM COCC[C@@]1(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCOC1 ZINC000445078878 484300862 /nfs/dbraw/zinc/30/08/62/484300862.db2.gz VNAPMUWZPOIWEN-CQSZACIVSA-N -1 0 370.387 -0.090 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCCN3CCCOCC3)cc-2c(=O)[n-]1 ZINC000445697427 484306753 /nfs/dbraw/zinc/30/67/53/484306753.db2.gz PXNWLNGOOMYJQV-UHFFFAOYSA-N -1 0 369.403 -0.563 20 0 FBADRM CCNS(=O)(=O)NC1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000445719514 484307764 /nfs/dbraw/zinc/30/77/64/484307764.db2.gz ASRMVBILMCCKTC-UHFFFAOYSA-N -1 0 368.403 -0.709 20 0 FBADRM COCCCN(CCO)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000445739549 484307168 /nfs/dbraw/zinc/30/71/68/484307168.db2.gz GHLUZJCYLODKQZ-UHFFFAOYSA-N -1 0 358.376 -0.545 20 0 FBADRM CCOC(=O)c1[nH]c(=O)n(-c2cccc(S(=O)(=O)N(C)C)c2)c1[O-] ZINC000445868661 484310440 /nfs/dbraw/zinc/31/04/40/484310440.db2.gz IPXCZZPKYDDJLJ-LLVKDONJSA-N -1 0 355.372 -0.075 20 0 FBADRM CCOC(=O)c1[nH]c(=O)n(-c2cccc(S(=O)(=O)N(C)C)c2)c1[O-] ZINC000445868662 484310200 /nfs/dbraw/zinc/31/02/00/484310200.db2.gz IPXCZZPKYDDJLJ-NSHDSACASA-N -1 0 355.372 -0.075 20 0 FBADRM CCOC(=O)c1[nH]c(=O)n(-c2cccc(CN3C(=O)CNC3=O)c2)c1[O-] ZINC000445898198 484310173 /nfs/dbraw/zinc/31/01/73/484310173.db2.gz FYFONFXOJJQXQA-GFCCVEGCSA-N -1 0 360.326 -0.274 20 0 FBADRM CCOC(=O)c1[nH]c(=O)n(-c2cccc(CN3C(=O)CNC3=O)c2)c1[O-] ZINC000445898199 484310522 /nfs/dbraw/zinc/31/05/22/484310522.db2.gz FYFONFXOJJQXQA-LBPRGKRZSA-N -1 0 360.326 -0.274 20 0 FBADRM CCOC(=O)c1[nH]c(=O)n(-c2cccc(C(=O)NCCC(N)=O)c2)c1[O-] ZINC000445949179 484311553 /nfs/dbraw/zinc/31/15/53/484311553.db2.gz KWUIGMGKFGBKPM-GFCCVEGCSA-N -1 0 362.342 -0.720 20 0 FBADRM CCOC(=O)c1[nH]c(=O)n(-c2cccc(C(=O)NCCC(N)=O)c2)c1[O-] ZINC000445949180 484312202 /nfs/dbraw/zinc/31/22/02/484312202.db2.gz KWUIGMGKFGBKPM-LBPRGKRZSA-N -1 0 362.342 -0.720 20 0 FBADRM C[C@@H](Sc1n[nH]c(=O)[n-]1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000446054005 484313523 /nfs/dbraw/zinc/31/35/23/484313523.db2.gz ORUVACVMPOXBRZ-MRVPVSSYSA-N -1 0 371.444 -0.003 20 0 FBADRM C[C@H](Sc1n[nH]c(=O)[n-]1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000446054006 484313383 /nfs/dbraw/zinc/31/33/83/484313383.db2.gz ORUVACVMPOXBRZ-QMMMGPOBSA-N -1 0 371.444 -0.003 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CSc2n[nH]c(=O)[n-]2)c(=O)n(C)c1=O ZINC000446075706 484313311 /nfs/dbraw/zinc/31/33/11/484313311.db2.gz AQFDWKPENKNROI-UHFFFAOYSA-N -1 0 354.392 -0.416 20 0 FBADRM CCOC(=O)c1cn(C)[n-]c1=NC(=O)N=c1cc(C)n(CC(=O)NC)[nH]1 ZINC000446274397 484317005 /nfs/dbraw/zinc/31/70/05/484317005.db2.gz CMLFRRLAQNIXSB-UHFFFAOYSA-N -1 0 363.378 -0.664 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000446308671 484318432 /nfs/dbraw/zinc/31/84/32/484318432.db2.gz YMWRXRILURWDMT-SECBINFHSA-N -1 0 368.423 -0.814 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000446308672 484318386 /nfs/dbraw/zinc/31/83/86/484318386.db2.gz YMWRXRILURWDMT-VIFPVBQESA-N -1 0 368.423 -0.814 20 0 FBADRM COC[C@H](C)n1ccc(=NC(=O)N=c2ncn(CC(=O)N(C)C)[n-]2)[nH]1 ZINC000446333727 484318880 /nfs/dbraw/zinc/31/88/80/484318880.db2.gz SGFGSCDCEIBGQF-JTQLQIEISA-N -1 0 350.383 -0.742 20 0 FBADRM COC[C@@H](C)n1ccc(=NC(=O)N=c2ncn(CC(=O)N(C)C)[n-]2)[nH]1 ZINC000446333731 484318543 /nfs/dbraw/zinc/31/85/43/484318543.db2.gz SGFGSCDCEIBGQF-SNVBAGLBSA-N -1 0 350.383 -0.742 20 0 FBADRM O=C(NC[C@@H](O)CO)Nc1cccc(S(=O)(=O)[N-]c2ncccn2)c1 ZINC000446475075 484320435 /nfs/dbraw/zinc/32/04/35/484320435.db2.gz JXQJXSLCUMICQT-LLVKDONJSA-N -1 0 367.387 -0.248 20 0 FBADRM O=C(NC[C@H](O)CO)Nc1cccc(S(=O)(=O)[N-]c2ncccn2)c1 ZINC000446475076 484319683 /nfs/dbraw/zinc/31/96/83/484319683.db2.gz JXQJXSLCUMICQT-NSHDSACASA-N -1 0 367.387 -0.248 20 0 FBADRM O=C(Nc1cccc(S(=O)(=O)[N-]c2ncccn2)c1)NC(CO)CO ZINC000446477051 484319955 /nfs/dbraw/zinc/31/99/55/484319955.db2.gz MLQXEFFDTNUSAB-UHFFFAOYSA-N -1 0 367.387 -0.248 20 0 FBADRM Cc1cc(CNC(=O)c2cnc([O-])n(C)c2=O)ccc1S(N)(=O)=O ZINC000446713230 484325260 /nfs/dbraw/zinc/32/52/60/484325260.db2.gz XKJIQUDYVHWUJE-UHFFFAOYSA-N -1 0 352.372 -0.628 20 0 FBADRM CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1cnn(CC(=O)OC)c1 ZINC000446767324 484326906 /nfs/dbraw/zinc/32/69/06/484326906.db2.gz IAAHHDZFTBDVKW-UHFFFAOYSA-N -1 0 371.375 -0.233 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cnccc2NC(C)=O)cn1 ZINC000446769863 484328557 /nfs/dbraw/zinc/32/85/57/484328557.db2.gz RWXINNJMYJHOFD-UHFFFAOYSA-N -1 0 353.360 -0.368 20 0 FBADRM COc1cccc(-c2nc(=NC(=O)C(=O)NC[C@@H](O)CO)s[n-]2)c1 ZINC000446806530 484330304 /nfs/dbraw/zinc/33/03/04/484330304.db2.gz PVHVFDQZLMIRSX-SECBINFHSA-N -1 0 352.372 -0.957 20 0 FBADRM COc1cccc(-c2nc(=NC(=O)C(=O)NC[C@H](O)CO)s[n-]2)c1 ZINC000446806531 484329976 /nfs/dbraw/zinc/32/99/76/484329976.db2.gz PVHVFDQZLMIRSX-VIFPVBQESA-N -1 0 352.372 -0.957 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)Cc2ccc(C(=O)OC)cc2)n1 ZINC000446822742 484332133 /nfs/dbraw/zinc/33/21/33/484332133.db2.gz GGJNPHKRIQINOL-UHFFFAOYSA-N -1 0 367.387 -0.247 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)OC)c(F)c2)n1 ZINC000446825292 484331280 /nfs/dbraw/zinc/33/12/80/484331280.db2.gz YSTLWHKRGDNFSM-UHFFFAOYSA-N -1 0 371.350 -0.249 20 0 FBADRM CN1CCN(S(=O)(=O)c2ccc(NCc3n[nH]c(=O)[n-]3)nc2)CC1 ZINC000446856918 484332096 /nfs/dbraw/zinc/33/20/96/484332096.db2.gz RJRURTJCMJZCDA-UHFFFAOYSA-N -1 0 353.408 -0.547 20 0 FBADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)nn1 ZINC000446951123 484333203 /nfs/dbraw/zinc/33/32/03/484333203.db2.gz SORIWFGYUJTUPQ-UHFFFAOYSA-N -1 0 355.376 -0.538 20 0 FBADRM Cc1cc(S(N)(=O)=O)ccc1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000446953028 484332886 /nfs/dbraw/zinc/33/28/86/484332886.db2.gz WRIZOEAPBUDLBR-UHFFFAOYSA-N -1 0 352.372 -0.628 20 0 FBADRM COc1ccc2c(c1)[nH]nc2[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000446966794 484332948 /nfs/dbraw/zinc/33/29/48/484332948.db2.gz SDNWDMYWDOUVSS-UHFFFAOYSA-N -1 0 365.371 -0.230 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2c[nH]nc2-c2nccs2)c(=O)n(C)c1=O ZINC000446974452 484333213 /nfs/dbraw/zinc/33/32/13/484333213.db2.gz ZYLFYUPYLJQOPP-UHFFFAOYSA-N -1 0 368.400 -0.269 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@]1(CCO)CCOC1 ZINC000447063197 484335235 /nfs/dbraw/zinc/33/52/35/484335235.db2.gz JONFOGRMNNLWPZ-HZMBPMFUSA-N -1 0 361.420 -0.384 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@]1(CCO)CCOC1 ZINC000447063198 484334961 /nfs/dbraw/zinc/33/49/61/484334961.db2.gz JONFOGRMNNLWPZ-IINYFYTJSA-N -1 0 361.420 -0.384 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N[C@@]2(CCO)CCOC2)cn1C ZINC000447063707 484335091 /nfs/dbraw/zinc/33/50/91/484335091.db2.gz OWEXKNYIIVQVSD-AWEZNQCLSA-N -1 0 360.436 -0.945 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N[C@]2(CCO)CCOC2)cn1C ZINC000447063708 484335409 /nfs/dbraw/zinc/33/54/09/484335409.db2.gz OWEXKNYIIVQVSD-CQSZACIVSA-N -1 0 360.436 -0.945 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc(-n3cccn3)nc2)c1 ZINC000447081121 484335247 /nfs/dbraw/zinc/33/52/47/484335247.db2.gz CGWFUXXMCUPTFD-UHFFFAOYSA-N -1 0 361.387 -0.082 20 0 FBADRM Cc1ccc(S(=O)(=O)NCc2nnn(C)n2)c(C)c1OCC(=O)[O-] ZINC000447150632 484336882 /nfs/dbraw/zinc/33/68/82/484336882.db2.gz LLNHBSGQFDVHLZ-UHFFFAOYSA-N -1 0 355.376 -0.231 20 0 FBADRM Cn1nnc(CNS(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)n1 ZINC000447151563 484336964 /nfs/dbraw/zinc/33/69/64/484336964.db2.gz XQBKRLIHAJYYSC-UHFFFAOYSA-N -1 0 353.360 -0.264 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@@]1(C(=O)OC)CCOC1 ZINC000447183866 484338016 /nfs/dbraw/zinc/33/80/16/484338016.db2.gz FNHAGYFHJZICBJ-GWCFXTLKSA-N -1 0 350.393 -0.820 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@]1(C(=O)OC)CCOC1 ZINC000447183868 484337629 /nfs/dbraw/zinc/33/76/29/484337629.db2.gz FNHAGYFHJZICBJ-GXFFZTMASA-N -1 0 350.393 -0.820 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-][C@@]1(C(=O)OC)CCOC1 ZINC000447183870 484337788 /nfs/dbraw/zinc/33/77/88/484337788.db2.gz FNHAGYFHJZICBJ-MFKMUULPSA-N -1 0 350.393 -0.820 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-][C@]1(C(=O)OC)CCOC1 ZINC000447183872 484337755 /nfs/dbraw/zinc/33/77/55/484337755.db2.gz FNHAGYFHJZICBJ-ZWNOBZJWSA-N -1 0 350.393 -0.820 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@H](C(=O)OC)c1cccs1 ZINC000447200017 484339011 /nfs/dbraw/zinc/33/90/11/484339011.db2.gz NJKSABARMWSAEJ-JTQLQIEISA-N -1 0 370.474 -0.179 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1cccs1 ZINC000447200019 484339235 /nfs/dbraw/zinc/33/92/35/484339235.db2.gz NJKSABARMWSAEJ-SNVBAGLBSA-N -1 0 370.474 -0.179 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCc3nnc4ccccn43)cc-2c(=O)[n-]1 ZINC000447202523 484339316 /nfs/dbraw/zinc/33/93/16/484339316.db2.gz YRRGOAJKDLDGGD-UHFFFAOYSA-N -1 0 373.354 -0.043 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CS(=O)(=O)c1ncc[n-]1 ZINC000447377349 484344622 /nfs/dbraw/zinc/34/46/22/484344622.db2.gz WVRBHIMIHYUBHT-UHFFFAOYSA-N -1 0 370.412 -0.580 20 0 FBADRM Cn1nnnc1CS(=O)(=O)c1nnc(-c2ccc3c(c2)OCCO3)[n-]1 ZINC000447476897 484346358 /nfs/dbraw/zinc/34/63/58/484346358.db2.gz CLLGXSLPTALXMD-UHFFFAOYSA-N -1 0 363.359 -0.260 20 0 FBADRM NC(=O)CN(CC(N)=O)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000447489736 484346627 /nfs/dbraw/zinc/34/66/27/484346627.db2.gz PWFHVLKBDWLQEI-UHFFFAOYSA-N -1 0 351.750 -0.356 20 0 FBADRM O=C(CNC(=O)c1cnc2ccccc2c1O)NCCc1nc(=O)o[n-]1 ZINC000447627967 484347652 /nfs/dbraw/zinc/34/76/52/484347652.db2.gz CGXRGIIPGNIEBG-UHFFFAOYSA-N -1 0 357.326 -0.707 20 0 FBADRM O=C(CNS(=O)(=O)c1ccc(Cl)s1)NCCc1nc(=O)o[n-]1 ZINC000447631645 484347914 /nfs/dbraw/zinc/34/79/14/484347914.db2.gz ADMFZKDEHWIFRE-UHFFFAOYSA-N -1 0 366.808 -0.285 20 0 FBADRM CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NCCc1nc(=O)o[n-]1 ZINC000447631938 484347733 /nfs/dbraw/zinc/34/77/33/484347733.db2.gz BIZIPEAESHWAKO-LLVKDONJSA-N -1 0 358.362 -0.690 20 0 FBADRM CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NCCc1nc(=O)o[n-]1 ZINC000447631939 484347253 /nfs/dbraw/zinc/34/72/53/484347253.db2.gz BIZIPEAESHWAKO-NSHDSACASA-N -1 0 358.362 -0.690 20 0 FBADRM CS(=O)(=O)c1nc(C(=O)NCCc2nc(=O)o[n-]2)c2ccccn21 ZINC000447632380 484347199 /nfs/dbraw/zinc/34/71/99/484347199.db2.gz ISZLIGQPFXZZAR-UHFFFAOYSA-N -1 0 351.344 -0.613 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000447632433 484347063 /nfs/dbraw/zinc/34/70/63/484347063.db2.gz JQGJONSTMKLJBB-JTQLQIEISA-N -1 0 354.388 -0.303 20 0 FBADRM COc1ccc(C(=O)NCC(=O)NCCc2nc(=O)o[n-]2)cc1OC ZINC000447632495 484347672 /nfs/dbraw/zinc/34/76/72/484347672.db2.gz KOQRQSBJKWWHQA-UHFFFAOYSA-N -1 0 350.331 -0.531 20 0 FBADRM COc1ccc(C(=O)NCCc2nc(=O)o[n-]2)cc1S(=O)(=O)N(C)C ZINC000447632673 484348082 /nfs/dbraw/zinc/34/80/82/484348082.db2.gz NHMXAHMUFTUBKF-UHFFFAOYSA-N -1 0 370.387 -0.406 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)c1nc2ncc(Br)cn2n1 ZINC000447633313 484348057 /nfs/dbraw/zinc/34/80/57/484348057.db2.gz XQUGADUQWLAGDI-UHFFFAOYSA-N -1 0 354.124 -0.464 20 0 FBADRM CCS(=O)(=O)NCc1ccc(C(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000447633606 484347458 /nfs/dbraw/zinc/34/74/58/484347458.db2.gz CMYDXTGLKPBNJN-UHFFFAOYSA-N -1 0 354.388 -0.225 20 0 FBADRM Cc1c(C(=O)NCCc2nc(=O)o[n-]2)nnn1-c1ccc2c(c1)OCCO2 ZINC000447633974 484347756 /nfs/dbraw/zinc/34/77/56/484347756.db2.gz JJILRESTCAKIHS-UHFFFAOYSA-N -1 0 372.341 -0.004 20 0 FBADRM CS(=O)(=O)NCCc1ccc(C(=O)NCCc2nc(=O)o[n-]2)s1 ZINC000447634043 484347609 /nfs/dbraw/zinc/34/76/09/484347609.db2.gz KMWFKDGSAXHNOB-UHFFFAOYSA-N -1 0 360.417 -0.511 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000447634255 484347637 /nfs/dbraw/zinc/34/76/37/484347637.db2.gz NNDFXCJFQGKMTP-UHFFFAOYSA-N -1 0 352.372 -0.224 20 0 FBADRM CNS(=O)(=O)c1ccc(CCC(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000447634263 484347719 /nfs/dbraw/zinc/34/77/19/484347719.db2.gz NRWLSRUEUKFWAK-UHFFFAOYSA-N -1 0 354.388 -0.438 20 0 FBADRM NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1nc(=O)o[n-]1 ZINC000447634734 484347079 /nfs/dbraw/zinc/34/70/79/484347079.db2.gz UXIDZFWJUPHUKW-GFCCVEGCSA-N -1 0 358.358 -0.218 20 0 FBADRM NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1nc(=O)o[n-]1 ZINC000447634735 484347469 /nfs/dbraw/zinc/34/74/69/484347469.db2.gz UXIDZFWJUPHUKW-LBPRGKRZSA-N -1 0 358.358 -0.218 20 0 FBADRM CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCCc3nc(=O)o[n-]3)cnc21 ZINC000447634768 484347705 /nfs/dbraw/zinc/34/77/05/484347705.db2.gz AFRDOGFCDMQSMS-UHFFFAOYSA-N -1 0 360.330 -0.444 20 0 FBADRM Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCCc2nc(=O)o[n-]2)no1 ZINC000447634770 484340134 /nfs/dbraw/zinc/34/01/34/484340134.db2.gz AGNFWGGBSDWHGI-MRVPVSSYSA-N -1 0 355.376 0.078 20 0 FBADRM Cc1cc(NC(=O)[C@H](C)SCC(=O)NCCc2nc(=O)o[n-]2)no1 ZINC000447634771 484346899 /nfs/dbraw/zinc/34/68/99/484346899.db2.gz AGNFWGGBSDWHGI-QMMMGPOBSA-N -1 0 355.376 0.078 20 0 FBADRM CCCCS(=O)(=O)N1CCC(C(=O)NCCc2nc(=O)o[n-]2)CC1 ZINC000447634785 484347432 /nfs/dbraw/zinc/34/74/32/484347432.db2.gz ALIBGXGMCIOOQP-UHFFFAOYSA-N -1 0 360.436 -0.137 20 0 FBADRM O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NCCc1nc(=O)o[n-]1 ZINC000447636015 484347481 /nfs/dbraw/zinc/34/74/81/484347481.db2.gz IGWDUTVMMHTNQP-UHFFFAOYSA-N -1 0 359.342 -0.213 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)NCCc2nc(=O)o[n-]2)ccc1OC ZINC000447636282 484347330 /nfs/dbraw/zinc/34/73/30/484347330.db2.gz KJCQNRPAOMKTJG-UHFFFAOYSA-N -1 0 356.360 -0.748 20 0 FBADRM CS(=O)(=O)c1ccc(OCCC(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000447636322 484347897 /nfs/dbraw/zinc/34/78/97/484347897.db2.gz HYVUKAWJKQYBBJ-UHFFFAOYSA-N -1 0 355.372 -0.106 20 0 FBADRM O=C(CCNS(=O)(=O)c1ccccc1F)NCCc1nc(=O)o[n-]1 ZINC000447636360 484347762 /nfs/dbraw/zinc/34/77/62/484347762.db2.gz IOGPRWWQLDRUCY-UHFFFAOYSA-N -1 0 358.351 -0.471 20 0 FBADRM O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NCCc1nc(=O)o[n-]1 ZINC000447636465 484348062 /nfs/dbraw/zinc/34/80/62/484348062.db2.gz LSMJVVFVWXTLOQ-UHFFFAOYSA-N -1 0 374.401 -0.454 20 0 FBADRM COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCCc1nc(=O)o[n-]1 ZINC000447636489 484347683 /nfs/dbraw/zinc/34/76/83/484347683.db2.gz MFOBAUGTRRUYTG-UHFFFAOYSA-N -1 0 365.737 -0.027 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCC(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000447636709 484348849 /nfs/dbraw/zinc/34/88/49/484348849.db2.gz KVUNJBGWOQBMRB-UHFFFAOYSA-N -1 0 354.388 -0.301 20 0 FBADRM CN(C)CCS(=O)(=O)c1ccccc1C(=O)NCCc1nc(=O)o[n-]1 ZINC000447636769 484349735 /nfs/dbraw/zinc/34/97/35/484349735.db2.gz LPZNCBQTLRDLKH-UHFFFAOYSA-N -1 0 368.415 -0.329 20 0 FBADRM Cn1c(C(=O)NCCc2nc(=O)o[n-]2)cc2c1nc1ccccn1c2=O ZINC000447636815 484350035 /nfs/dbraw/zinc/35/00/35/484350035.db2.gz OCPIPFFHRLIKLT-UHFFFAOYSA-N -1 0 354.326 -0.165 20 0 FBADRM CCN(C)S(=O)(=O)c1ccccc1C(=O)NCCc1nc(=O)o[n-]1 ZINC000447637129 484348786 /nfs/dbraw/zinc/34/87/86/484348786.db2.gz OENNIAWAYFYIGQ-UHFFFAOYSA-N -1 0 354.388 -0.024 20 0 FBADRM COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)NCCc1nc(=O)o[n-]1 ZINC000447637297 484349715 /nfs/dbraw/zinc/34/97/15/484349715.db2.gz PCKAYUBAFTXUII-UHFFFAOYSA-N -1 0 350.331 -0.110 20 0 FBADRM COc1cc(C(=O)NCCc2nc(=O)o[n-]2)cc(Cl)c1OCC(N)=O ZINC000447638080 484349501 /nfs/dbraw/zinc/34/95/01/484349501.db2.gz YZKMSNZXIHNFDH-UHFFFAOYSA-N -1 0 370.749 -0.139 20 0 FBADRM O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NCCc1nc(=O)o[n-]1 ZINC000447638159 484349214 /nfs/dbraw/zinc/34/92/14/484349214.db2.gz ZYUKXTGTQUVONP-UHFFFAOYSA-N -1 0 371.353 -0.907 20 0 FBADRM CCNS(=O)(=O)c1ccc(CC(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000447638211 484349607 /nfs/dbraw/zinc/34/96/07/484349607.db2.gz WINIJBUPCVODBK-UHFFFAOYSA-N -1 0 354.388 -0.438 20 0 FBADRM NS(=O)(=O)c1cccc2c1ccnc2C(=O)NCCc1nc(=O)o[n-]1 ZINC000447638307 484348795 /nfs/dbraw/zinc/34/87/95/484348795.db2.gz XUFPGIBPPVJZIB-UHFFFAOYSA-N -1 0 363.355 -0.469 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@]3(CNC(=O)C3)C2)c1 ZINC000447704111 484348606 /nfs/dbraw/zinc/34/86/06/484348606.db2.gz ODCFTAOZTBUMJY-INIZCTEOSA-N -1 0 367.427 -0.005 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)c1 ZINC000447704112 484349301 /nfs/dbraw/zinc/34/93/01/484349301.db2.gz ODCFTAOZTBUMJY-MRXNPFEDSA-N -1 0 367.427 -0.005 20 0 FBADRM C[C@H]1OCC[C@]1(O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000447747796 484351065 /nfs/dbraw/zinc/35/10/65/484351065.db2.gz UOSNTUPWKMQEGB-BMIGLBTASA-N -1 0 358.416 -0.088 20 0 FBADRM C[C@@H]1OCC[C@]1(O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000447747797 484351358 /nfs/dbraw/zinc/35/13/58/484351358.db2.gz UOSNTUPWKMQEGB-BONVTDFDSA-N -1 0 358.416 -0.088 20 0 FBADRM C[C@H]1OCC[C@@]1(O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000447747798 484351448 /nfs/dbraw/zinc/35/14/48/484351448.db2.gz UOSNTUPWKMQEGB-MEBBXXQBSA-N -1 0 358.416 -0.088 20 0 FBADRM C[C@@H]1OCC[C@@]1(O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000447747799 484351024 /nfs/dbraw/zinc/35/10/24/484351024.db2.gz UOSNTUPWKMQEGB-ZUZCIYMTSA-N -1 0 358.416 -0.088 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@H](CO)[C@H]3CCCO3)cc-2c(=O)[n-]1 ZINC000447928014 484360987 /nfs/dbraw/zinc/36/09/87/484360987.db2.gz GJQAPFUUWQMCKL-NXEZZACHSA-N -1 0 356.360 -0.746 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@@H](CO)[C@@H]3CCCO3)cc-2c(=O)[n-]1 ZINC000447928017 484361291 /nfs/dbraw/zinc/36/12/91/484361291.db2.gz GJQAPFUUWQMCKL-UWVGGRQHSA-N -1 0 356.360 -0.746 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@@H](CO)[C@H]3CCCO3)cc-2c(=O)[n-]1 ZINC000447928018 484360755 /nfs/dbraw/zinc/36/07/55/484360755.db2.gz GJQAPFUUWQMCKL-VHSXEESVSA-N -1 0 356.360 -0.746 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@H](CO)[C@@H]3CCCO3)cc-2c(=O)[n-]1 ZINC000447928019 484361223 /nfs/dbraw/zinc/36/12/23/484361223.db2.gz GJQAPFUUWQMCKL-ZJUUUORDSA-N -1 0 356.360 -0.746 20 0 FBADRM COC[C@H](O)CNC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O ZINC000448260739 484160444 /nfs/dbraw/zinc/16/04/44/484160444.db2.gz BOLARFIXPFZVEA-LLVKDONJSA-N -1 0 359.404 -0.246 20 0 FBADRM COC[C@@H](O)CNC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O ZINC000448260743 484160110 /nfs/dbraw/zinc/16/01/10/484160110.db2.gz BOLARFIXPFZVEA-NSHDSACASA-N -1 0 359.404 -0.246 20 0 FBADRM COC[C@@H](O)CNC(=O)c1ccc(-n2[n-]c(CC(=O)OC)cc2=O)cc1 ZINC000448272645 484167955 /nfs/dbraw/zinc/16/79/55/484167955.db2.gz WCWPDSJQFVBJPF-AWEZNQCLSA-N -1 0 363.370 -0.382 20 0 FBADRM COC[C@H](O)CNC(=O)c1ccc(-n2[n-]c(CC(=O)OC)cc2=O)cc1 ZINC000448272648 484167419 /nfs/dbraw/zinc/16/74/19/484167419.db2.gz WCWPDSJQFVBJPF-CQSZACIVSA-N -1 0 363.370 -0.382 20 0 FBADRM COc1cc(C(=O)NCCOCCO)cc([N-]S(C)(=O)=O)c1OC ZINC000448351084 484219987 /nfs/dbraw/zinc/21/99/87/484219987.db2.gz NTNSFLOGYGACBJ-UHFFFAOYSA-N -1 0 362.404 -0.186 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NCCOCCO)c1 ZINC000448369325 484227968 /nfs/dbraw/zinc/22/79/68/484227968.db2.gz ZTFBGZYQHMNNMH-UHFFFAOYSA-N -1 0 359.404 -0.245 20 0 FBADRM COC(=O)[C@H](CO)NC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000448661708 484205913 /nfs/dbraw/zinc/20/59/13/484205913.db2.gz VABUCXKSGLPTRB-JTQLQIEISA-N -1 0 350.780 -0.025 20 0 FBADRM COC(=O)[C@@H](CO)NC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000448661709 484206603 /nfs/dbraw/zinc/20/66/03/484206603.db2.gz VABUCXKSGLPTRB-SNVBAGLBSA-N -1 0 350.780 -0.025 20 0 FBADRM O=C([O-])c1cn(CC(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)nn1 ZINC000448986313 484366115 /nfs/dbraw/zinc/36/61/15/484366115.db2.gz DLAMHKYICFDBFE-CYBMUJFWSA-N -1 0 357.370 -0.018 20 0 FBADRM O=C([O-])c1cn(CC(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)nn1 ZINC000448986314 484365399 /nfs/dbraw/zinc/36/53/99/484365399.db2.gz DLAMHKYICFDBFE-ZDUSSCGKSA-N -1 0 357.370 -0.018 20 0 FBADRM O=C([O-])COCCNC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O ZINC000448999406 484365811 /nfs/dbraw/zinc/36/58/11/484365811.db2.gz XGOWRMXMEBPPEU-UHFFFAOYSA-N -1 0 359.338 -0.159 20 0 FBADRM COC[C@@H](NC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O)C(=O)[O-] ZINC000449001089 484366648 /nfs/dbraw/zinc/36/66/48/484366648.db2.gz KGSGQEYIOYZVQJ-LLVKDONJSA-N -1 0 359.338 -0.161 20 0 FBADRM COC[C@H](NC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O)C(=O)[O-] ZINC000449001090 484365940 /nfs/dbraw/zinc/36/59/40/484365940.db2.gz KGSGQEYIOYZVQJ-NSHDSACASA-N -1 0 359.338 -0.161 20 0 FBADRM COCCN(CCO)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000450383087 484371965 /nfs/dbraw/zinc/37/19/65/484371965.db2.gz YWJGNOHJBPCXRP-UHFFFAOYSA-N -1 0 352.359 -0.290 20 0 FBADRM COc1ccccc1C[C@H](CNC(=O)CS(=O)(=O)N(C)C)C(=O)[O-] ZINC000450516182 484372225 /nfs/dbraw/zinc/37/22/25/484372225.db2.gz KFLQDRTYYLHPFO-GFCCVEGCSA-N -1 0 358.416 -0.054 20 0 FBADRM COc1ccccc1C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)C(=O)[O-] ZINC000450516185 484372586 /nfs/dbraw/zinc/37/25/86/484372586.db2.gz KFLQDRTYYLHPFO-LBPRGKRZSA-N -1 0 358.416 -0.054 20 0 FBADRM COCC(=O)N(C)CC(=O)NCCN1c2ccccc2[N-]S1(=O)=O ZINC000450754510 484375381 /nfs/dbraw/zinc/37/53/81/484375381.db2.gz JDBZEQLMXLHGAL-UHFFFAOYSA-N -1 0 356.404 -0.616 20 0 FBADRM O=C(CN1CCOCC1=O)NCCN1c2ccccc2[N-]S1(=O)=O ZINC000450761952 484375097 /nfs/dbraw/zinc/37/50/97/484375097.db2.gz SWYCTRJJQCGKRZ-UHFFFAOYSA-N -1 0 354.388 -0.862 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@@]1(CO)CCOC1 ZINC000450852208 484374970 /nfs/dbraw/zinc/37/49/70/484374970.db2.gz YXGYDAQGTSXXPZ-CYBMUJFWSA-N -1 0 350.343 -0.489 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@]1(CO)CCOC1 ZINC000450852209 484375512 /nfs/dbraw/zinc/37/55/12/484375512.db2.gz YXGYDAQGTSXXPZ-ZDUSSCGKSA-N -1 0 350.343 -0.489 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]CCNS(C)(=O)=O ZINC000451013581 484380298 /nfs/dbraw/zinc/38/02/98/484380298.db2.gz AQPBQOQDAQREEI-SSDOTTSWSA-N -1 0 370.371 -0.661 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CCNS(C)(=O)=O ZINC000451013589 484380022 /nfs/dbraw/zinc/38/00/22/484380022.db2.gz AQPBQOQDAQREEI-ZETCQYMHSA-N -1 0 370.371 -0.661 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@@H]1CN2CCN1CC2 ZINC000451337185 484384511 /nfs/dbraw/zinc/38/45/11/484384511.db2.gz FOOQJQAQQVSLJV-GHMZBOCLSA-N -1 0 373.397 -0.210 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C[C@@H]1CN2CCN1CC2 ZINC000451337186 484384322 /nfs/dbraw/zinc/38/43/22/484384322.db2.gz FOOQJQAQQVSLJV-MNOVXSKESA-N -1 0 373.397 -0.210 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H]1CN2CCN1CC2 ZINC000451337187 484384606 /nfs/dbraw/zinc/38/46/06/484384606.db2.gz FOOQJQAQQVSLJV-QWRGUYRKSA-N -1 0 373.397 -0.210 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H]1CN2CCN1CC2 ZINC000451337188 484384471 /nfs/dbraw/zinc/38/44/71/484384471.db2.gz FOOQJQAQQVSLJV-WDEREUQCSA-N -1 0 373.397 -0.210 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H](O)C(=O)OC ZINC000451361428 484385790 /nfs/dbraw/zinc/38/57/90/484385790.db2.gz ZSOFOTJZBCCWSX-BQBZGAKWSA-N -1 0 351.299 -0.676 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H](O)C(=O)OC ZINC000451361436 484386121 /nfs/dbraw/zinc/38/61/21/484386121.db2.gz ZSOFOTJZBCCWSX-NKWVEPMBSA-N -1 0 351.299 -0.676 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]CCS(=O)(=O)NC ZINC000451444384 484389029 /nfs/dbraw/zinc/38/90/29/484389029.db2.gz CRPFZFXSQHJPFX-SSDOTTSWSA-N -1 0 370.371 -0.661 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CCS(=O)(=O)NC ZINC000451444385 484285247 /nfs/dbraw/zinc/28/52/47/484285247.db2.gz CRPFZFXSQHJPFX-ZETCQYMHSA-N -1 0 370.371 -0.661 20 0 FBADRM COCC1(S(=O)(=O)[N-][C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000451527997 484393314 /nfs/dbraw/zinc/39/33/14/484393314.db2.gz DYJCCSRHAYJPAP-MRVPVSSYSA-N -1 0 368.399 -0.093 20 0 FBADRM COCC1(S(=O)(=O)[N-][C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000451527998 484393318 /nfs/dbraw/zinc/39/33/18/484393318.db2.gz DYJCCSRHAYJPAP-QMMMGPOBSA-N -1 0 368.399 -0.093 20 0 FBADRM CN(CCOCCO)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000451687939 484397736 /nfs/dbraw/zinc/39/77/36/484397736.db2.gz DWHMKGJOYGPAIW-UHFFFAOYSA-N -1 0 352.359 -0.290 20 0 FBADRM CCN1C[C@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1=O ZINC000451866329 484401000 /nfs/dbraw/zinc/40/10/00/484401000.db2.gz JMWXTCLOTYOWCV-SSDOTTSWSA-N -1 0 353.360 -0.665 20 0 FBADRM CCN1C[C@@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1=O ZINC000451866333 484400679 /nfs/dbraw/zinc/40/06/79/484400679.db2.gz JMWXTCLOTYOWCV-ZETCQYMHSA-N -1 0 353.360 -0.665 20 0 FBADRM CCO[C@@H]1COC[C@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000452035857 484405651 /nfs/dbraw/zinc/40/56/51/484405651.db2.gz HWFFDZSHIPXRFI-NXEZZACHSA-N -1 0 356.360 -0.482 20 0 FBADRM COCC1(O)CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000452567776 484413790 /nfs/dbraw/zinc/41/37/90/484413790.db2.gz MHHCFRMXUBFBQV-UHFFFAOYSA-N -1 0 350.343 -0.537 20 0 FBADRM CCOC(=O)COCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000452698171 484415125 /nfs/dbraw/zinc/41/51/25/484415125.db2.gz QQSUIMLBVVHRKE-UHFFFAOYSA-N -1 0 374.415 -0.048 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCOC[C@H](O)C1 ZINC000452852405 484415045 /nfs/dbraw/zinc/41/50/45/484415045.db2.gz YUMXEAXJJHYCIW-SECBINFHSA-N -1 0 350.343 -0.537 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCOC[C@@H](O)C1 ZINC000452852410 484414801 /nfs/dbraw/zinc/41/48/01/484414801.db2.gz YUMXEAXJJHYCIW-VIFPVBQESA-N -1 0 350.343 -0.537 20 0 FBADRM CCN1C[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CC1=O ZINC000452941804 484416796 /nfs/dbraw/zinc/41/67/96/484416796.db2.gz DQOXKJXXLVQFCG-JTQLQIEISA-N -1 0 355.416 -0.007 20 0 FBADRM CCN1C[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CC1=O ZINC000452941809 484416778 /nfs/dbraw/zinc/41/67/78/484416778.db2.gz DQOXKJXXLVQFCG-SNVBAGLBSA-N -1 0 355.416 -0.007 20 0 FBADRM CCN1C[C@H](NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CC1=O ZINC000452977873 484416368 /nfs/dbraw/zinc/41/63/68/484416368.db2.gz DMJDFCKKZXAQAB-SECBINFHSA-N -1 0 361.370 -0.020 20 0 FBADRM CCN1C[C@@H](NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CC1=O ZINC000452977883 484416706 /nfs/dbraw/zinc/41/67/06/484416706.db2.gz DMJDFCKKZXAQAB-VIFPVBQESA-N -1 0 361.370 -0.020 20 0 FBADRM C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)S(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000453015903 484416699 /nfs/dbraw/zinc/41/66/99/484416699.db2.gz AUJLARSJZJIPMN-BDAKNGLRSA-N -1 0 368.371 -0.371 20 0 FBADRM C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)S(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000453015909 484417068 /nfs/dbraw/zinc/41/70/68/484417068.db2.gz AUJLARSJZJIPMN-DTWKUNHWSA-N -1 0 368.371 -0.371 20 0 FBADRM C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)S(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000453015911 484416865 /nfs/dbraw/zinc/41/68/65/484416865.db2.gz AUJLARSJZJIPMN-IUCAKERBSA-N -1 0 368.371 -0.371 20 0 FBADRM C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)S(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000453015913 484416053 /nfs/dbraw/zinc/41/60/53/484416053.db2.gz AUJLARSJZJIPMN-RKDXNWHRSA-N -1 0 368.371 -0.371 20 0 FBADRM CCCCS(=O)(=O)NCC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000455752431 484431635 /nfs/dbraw/zinc/43/16/35/484431635.db2.gz CJPUHNMKVQXTIY-JTQLQIEISA-N -1 0 351.425 -0.856 20 0 FBADRM CCCCS(=O)(=O)NCC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000455752432 484431957 /nfs/dbraw/zinc/43/19/57/484431957.db2.gz CJPUHNMKVQXTIY-SNVBAGLBSA-N -1 0 351.425 -0.856 20 0 FBADRM CNC(=O)c1cccc(OCC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c1 ZINC000455759372 484431565 /nfs/dbraw/zinc/43/15/65/484431565.db2.gz KSBXUKQORMXCFH-LLVKDONJSA-N -1 0 365.386 -0.137 20 0 FBADRM CNC(=O)c1cccc(OCC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c1 ZINC000455759380 484431488 /nfs/dbraw/zinc/43/14/88/484431488.db2.gz KSBXUKQORMXCFH-NSHDSACASA-N -1 0 365.386 -0.137 20 0 FBADRM Cc1nc(C(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c(=O)[nH]c1C ZINC000455782658 484432705 /nfs/dbraw/zinc/43/27/05/484432705.db2.gz HOFNDMIHJIYHQR-CMPLNLGQSA-N -1 0 350.375 -0.173 20 0 FBADRM Cc1nc(C(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c(=O)[nH]c1C ZINC000455782659 484432882 /nfs/dbraw/zinc/43/28/82/484432882.db2.gz HOFNDMIHJIYHQR-JQWIXIFHSA-N -1 0 350.375 -0.173 20 0 FBADRM Cc1nc(C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c(=O)[nH]c1C ZINC000455782660 484432529 /nfs/dbraw/zinc/43/25/29/484432529.db2.gz HOFNDMIHJIYHQR-PWSUYJOCSA-N -1 0 350.375 -0.173 20 0 FBADRM Cc1nc(C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c(=O)[nH]c1C ZINC000455782661 484432698 /nfs/dbraw/zinc/43/26/98/484432698.db2.gz HOFNDMIHJIYHQR-ZYHUDNBSSA-N -1 0 350.375 -0.173 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2cc(=O)[nH]c(N(C)C)n2)C1=O ZINC000455795769 484432457 /nfs/dbraw/zinc/43/24/57/484432457.db2.gz PQFSQKBGANQFKC-BXKDBHETSA-N -1 0 365.390 -0.312 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)c2cc(=O)[nH]c(N(C)C)n2)C1=O ZINC000455795772 484432981 /nfs/dbraw/zinc/43/29/81/484432981.db2.gz PQFSQKBGANQFKC-CABZTGNLSA-N -1 0 365.390 -0.312 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)c2cc(=O)[nH]c(N(C)C)n2)C1=O ZINC000455795774 484433285 /nfs/dbraw/zinc/43/32/85/484433285.db2.gz PQFSQKBGANQFKC-JOYOIKCWSA-N -1 0 365.390 -0.312 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2cc(=O)[nH]c(N(C)C)n2)C1=O ZINC000455795775 484433188 /nfs/dbraw/zinc/43/31/88/484433188.db2.gz PQFSQKBGANQFKC-SKDRFNHKSA-N -1 0 365.390 -0.312 20 0 FBADRM CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000455798015 484433990 /nfs/dbraw/zinc/43/39/90/484433990.db2.gz WGLVMQMSVAXKFZ-UHFFFAOYSA-N -1 0 350.375 -0.429 20 0 FBADRM CCc1c(C(=O)N2CCC[C@@H]2C(=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000455806057 484434066 /nfs/dbraw/zinc/43/40/66/484434066.db2.gz FFVZLDKHOFVGDV-LLVKDONJSA-N -1 0 360.370 -0.116 20 0 FBADRM CCc1c(C(=O)N2CCC[C@H]2C(=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000455806060 484434216 /nfs/dbraw/zinc/43/42/16/484434216.db2.gz FFVZLDKHOFVGDV-NSHDSACASA-N -1 0 360.370 -0.116 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)c2cnc3c(c2)nnn3C)C1=O ZINC000455806078 484433948 /nfs/dbraw/zinc/43/39/48/484433948.db2.gz XLLVNYOMSNJFJV-CMPLNLGQSA-N -1 0 360.374 -0.197 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)c2cnc3c(c2)nnn3C)C1=O ZINC000455806083 484434284 /nfs/dbraw/zinc/43/42/84/484434284.db2.gz XLLVNYOMSNJFJV-JQWIXIFHSA-N -1 0 360.374 -0.197 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)C1=O ZINC000455806085 484434734 /nfs/dbraw/zinc/43/47/34/484434734.db2.gz XLLVNYOMSNJFJV-PWSUYJOCSA-N -1 0 360.374 -0.197 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)C1=O ZINC000455806087 484434485 /nfs/dbraw/zinc/43/44/85/484434485.db2.gz XLLVNYOMSNJFJV-ZYHUDNBSSA-N -1 0 360.374 -0.197 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)CNC(=O)c2cccnc2)C1=O ZINC000455809568 484434357 /nfs/dbraw/zinc/43/43/57/484434357.db2.gz ZIYDYHSEVBNWMU-GXTWGEPZSA-N -1 0 362.386 -0.362 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)CNC(=O)c2cccnc2)C1=O ZINC000455809570 484434178 /nfs/dbraw/zinc/43/41/78/484434178.db2.gz ZIYDYHSEVBNWMU-JSGCOSHPSA-N -1 0 362.386 -0.362 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)CNC(=O)c2cccnc2)C1=O ZINC000455809572 484434481 /nfs/dbraw/zinc/43/44/81/484434481.db2.gz ZIYDYHSEVBNWMU-OCCSQVGLSA-N -1 0 362.386 -0.362 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)CNC(=O)c2cccnc2)C1=O ZINC000455809575 484433846 /nfs/dbraw/zinc/43/38/46/484433846.db2.gz ZIYDYHSEVBNWMU-TZMCWYRMSA-N -1 0 362.386 -0.362 20 0 FBADRM C[C@@H](C(=O)[O-])N(C)C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000455822450 484434300 /nfs/dbraw/zinc/43/43/00/484434300.db2.gz DLZCNJMRJUANPF-JTQLQIEISA-N -1 0 371.415 -0.402 20 0 FBADRM C[C@H](C(=O)[O-])N(C)C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000455822452 484434036 /nfs/dbraw/zinc/43/40/36/484434036.db2.gz DLZCNJMRJUANPF-SNVBAGLBSA-N -1 0 371.415 -0.402 20 0 FBADRM CCc1c(C(=O)N2CC[C@@H](C(=O)[O-])C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000455827412 484434350 /nfs/dbraw/zinc/43/43/50/484434350.db2.gz KIAJECRFAYVNJQ-SECBINFHSA-N -1 0 360.370 -0.259 20 0 FBADRM CCc1c(C(=O)N2CC[C@H](C(=O)[O-])C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000455827413 484433835 /nfs/dbraw/zinc/43/38/35/484433835.db2.gz KIAJECRFAYVNJQ-VIFPVBQESA-N -1 0 360.370 -0.259 20 0 FBADRM COc1ccc([C@H](NC(=O)CN2CCCS2(=O)=O)C(=O)[O-])c(OC)c1 ZINC000455918946 484433961 /nfs/dbraw/zinc/43/39/61/484433961.db2.gz GTSQMTUGXWGDEE-AWEZNQCLSA-N -1 0 372.399 -0.019 20 0 FBADRM COc1ccc([C@@H](NC(=O)CN2CCCS2(=O)=O)C(=O)[O-])c(OC)c1 ZINC000455918951 484433918 /nfs/dbraw/zinc/43/39/18/484433918.db2.gz GTSQMTUGXWGDEE-CQSZACIVSA-N -1 0 372.399 -0.019 20 0 FBADRM COc1ccc([C@@H](NC(=O)CN(C)S(C)(=O)=O)C(=O)[O-])c(OC)c1 ZINC000455932021 484435184 /nfs/dbraw/zinc/43/51/84/484435184.db2.gz PVAXEWXHBLYSRC-CYBMUJFWSA-N -1 0 360.388 -0.163 20 0 FBADRM COc1ccc([C@H](NC(=O)CN(C)S(C)(=O)=O)C(=O)[O-])c(OC)c1 ZINC000455932022 484435326 /nfs/dbraw/zinc/43/53/26/484435326.db2.gz PVAXEWXHBLYSRC-ZDUSSCGKSA-N -1 0 360.388 -0.163 20 0 FBADRM COc1ccc([C@@H](NC(=O)CS(=O)(=O)N(C)C)C(=O)[O-])c(OC)c1 ZINC000455940895 484435280 /nfs/dbraw/zinc/43/52/80/484435280.db2.gz XYWPWOMKFQXWDC-CYBMUJFWSA-N -1 0 360.388 -0.163 20 0 FBADRM COc1ccc([C@H](NC(=O)CS(=O)(=O)N(C)C)C(=O)[O-])c(OC)c1 ZINC000455940897 484435315 /nfs/dbraw/zinc/43/53/15/484435315.db2.gz XYWPWOMKFQXWDC-ZDUSSCGKSA-N -1 0 360.388 -0.163 20 0 FBADRM CO[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C[C@H]1O ZINC000456385824 484451349 /nfs/dbraw/zinc/45/13/49/484451349.db2.gz CRYSUNHGTMUUAO-GHMZBOCLSA-N -1 0 350.343 -0.539 20 0 FBADRM CS(=O)(=O)C1CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000456960600 484456012 /nfs/dbraw/zinc/45/60/12/484456012.db2.gz XIXBNDSYBZEQRS-UHFFFAOYSA-N -1 0 368.383 -0.502 20 0 FBADRM CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1 ZINC000457350427 484458517 /nfs/dbraw/zinc/45/85/17/484458517.db2.gz QCPYSNTVOUQWDH-UHFFFAOYSA-N -1 0 350.418 -0.016 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCC[C@@](O)(CO)C1 ZINC000457938266 484467961 /nfs/dbraw/zinc/46/79/61/484467961.db2.gz GNXWADGXBDCVQW-AWEZNQCLSA-N -1 0 364.370 -0.411 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCC[C@](O)(CO)C1 ZINC000457938297 484468673 /nfs/dbraw/zinc/46/86/73/484468673.db2.gz GNXWADGXBDCVQW-CQSZACIVSA-N -1 0 364.370 -0.411 20 0 FBADRM NC(=O)CN1CCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])CC1=O ZINC000458045168 484470729 /nfs/dbraw/zinc/47/07/29/484470729.db2.gz JSZDNZQGZALENV-UHFFFAOYSA-N -1 0 361.333 -0.513 20 0 FBADRM NC(=O)CN1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1=O ZINC000458046869 484470187 /nfs/dbraw/zinc/47/01/87/484470187.db2.gz MABIUMFMZPVXIT-UHFFFAOYSA-N -1 0 361.333 -0.513 20 0 FBADRM NC(=O)CN1CCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])CC1=O ZINC000458082906 484471496 /nfs/dbraw/zinc/47/14/96/484471496.db2.gz XIGIYKDAIBOSQF-UHFFFAOYSA-N -1 0 361.333 -0.513 20 0 FBADRM COc1ccc(-n2cc([O-])c(C(=O)NC[C@@H](O)Cn3ccnn3)n2)cc1 ZINC000458144905 484473274 /nfs/dbraw/zinc/47/32/74/484473274.db2.gz QIUBWUCRMHOFFS-GFCCVEGCSA-N -1 0 358.358 -0.031 20 0 FBADRM COc1ccc(-n2cc([O-])c(C(=O)NC[C@H](O)Cn3ccnn3)n2)cc1 ZINC000458144911 484472837 /nfs/dbraw/zinc/47/28/37/484472837.db2.gz QIUBWUCRMHOFFS-LBPRGKRZSA-N -1 0 358.358 -0.031 20 0 FBADRM O=c1cc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)nc(-c2ccccc2)[nH]1 ZINC000459363346 484487940 /nfs/dbraw/zinc/48/79/40/484487940.db2.gz KRWXZOGXFJVPNJ-AWEZNQCLSA-N -1 0 353.382 -0.008 20 0 FBADRM O=c1cc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)nc(-c2ccccc2)[nH]1 ZINC000459363354 484487914 /nfs/dbraw/zinc/48/79/14/484487914.db2.gz KRWXZOGXFJVPNJ-CQSZACIVSA-N -1 0 353.382 -0.008 20 0 FBADRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CN2CCN(C)C(=O)C2)c1 ZINC000460298694 484542940 /nfs/dbraw/zinc/54/29/40/484542940.db2.gz VPZBZSUFGVWDII-UHFFFAOYSA-N -1 0 355.416 -0.102 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)c1 ZINC000460428106 484426887 /nfs/dbraw/zinc/42/68/87/484426887.db2.gz KPPKDAXGSYESJI-UHFFFAOYSA-N -1 0 362.375 -0.640 20 0 FBADRM CCOC(=O)[C@](C)(O)CNS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000460481904 484453978 /nfs/dbraw/zinc/45/39/78/484453978.db2.gz WIUVYWOMVJSAQN-CYBMUJFWSA-N -1 0 365.429 -0.318 20 0 FBADRM CCOC(=O)[C@@](C)(O)CNS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000460481905 484453843 /nfs/dbraw/zinc/45/38/43/484453843.db2.gz WIUVYWOMVJSAQN-ZDUSSCGKSA-N -1 0 365.429 -0.318 20 0 FBADRM CNC(=O)[C@@H](CO)NS(=O)(=O)c1cc(Br)ccc1OC ZINC000460481999 484453264 /nfs/dbraw/zinc/45/32/64/484453264.db2.gz XJEYTHOHXSGOOI-MRVPVSSYSA-N -1 0 367.221 -0.157 20 0 FBADRM CNC(=O)[C@H](CO)NS(=O)(=O)c1cc(Br)ccc1OC ZINC000460482000 484453054 /nfs/dbraw/zinc/45/30/54/484453054.db2.gz XJEYTHOHXSGOOI-QMMMGPOBSA-N -1 0 367.221 -0.157 20 0 FBADRM CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000460482338 484454000 /nfs/dbraw/zinc/45/40/00/484454000.db2.gz CYOQNPGFABZVJO-SECBINFHSA-N -1 0 350.780 -0.488 20 0 FBADRM CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000460482339 484453302 /nfs/dbraw/zinc/45/33/02/484453302.db2.gz CYOQNPGFABZVJO-VIFPVBQESA-N -1 0 350.780 -0.488 20 0 FBADRM COC(=O)Cc1nnc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)[nH]1 ZINC000460528208 483421091 /nfs/dbraw/zinc/42/10/91/483421091.db2.gz AZVXOOQXDKBKAJ-UHFFFAOYSA-N -1 0 365.375 -0.089 20 0 FBADRM COC(=O)Cc1nnc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)[nH]1 ZINC000460530035 483422281 /nfs/dbraw/zinc/42/22/81/483422281.db2.gz GMQMDMYLPFJMJI-UHFFFAOYSA-N -1 0 367.343 -0.234 20 0 FBADRM COC(=O)Cc1nnc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)[nH]1 ZINC000460530115 483422450 /nfs/dbraw/zinc/42/24/50/483422450.db2.gz HGPMNUCCOSIQLR-UHFFFAOYSA-N -1 0 350.307 -0.217 20 0 FBADRM CCc1nnc([N-]S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)[nH]1 ZINC000460561551 483423573 /nfs/dbraw/zinc/42/35/73/483423573.db2.gz RAEGOLWJEJNZTB-UHFFFAOYSA-N -1 0 351.348 -0.485 20 0 FBADRM CNC(=O)Cn1cnc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)n1 ZINC000460598037 483426504 /nfs/dbraw/zinc/42/65/04/483426504.db2.gz NYZBTWJPATVGEG-UHFFFAOYSA-N -1 0 358.362 -0.430 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c1 ZINC000460817748 483450060 /nfs/dbraw/zinc/45/00/60/483450060.db2.gz CNIALGVZQJQNPY-UHFFFAOYSA-N -1 0 362.375 -0.640 20 0 FBADRM NC(=O)c1ccc(S(N)(=O)=O)c([N-]S(=O)(=O)c2cccnc2)c1 ZINC000460823066 483449621 /nfs/dbraw/zinc/44/96/21/483449621.db2.gz OUCFOAOTNOLPII-UHFFFAOYSA-N -1 0 356.385 -0.371 20 0 FBADRM NC(=O)c1ccc(S(N)(=O)=O)c([N-]S(=O)(=O)CCCCF)c1 ZINC000460824070 483450019 /nfs/dbraw/zinc/45/00/19/483450019.db2.gz UIGZDEWMGSEZGG-UHFFFAOYSA-N -1 0 353.397 -0.076 20 0 FBADRM CO[C@@]1(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCOC1 ZINC000460911402 484497096 /nfs/dbraw/zinc/49/70/96/484497096.db2.gz LNTNMIZLHOMNBK-CYBMUJFWSA-N -1 0 356.360 -0.480 20 0 FBADRM CO[C@]1(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCOC1 ZINC000460911403 484496963 /nfs/dbraw/zinc/49/69/63/484496963.db2.gz LNTNMIZLHOMNBK-ZDUSSCGKSA-N -1 0 356.360 -0.480 20 0 FBADRM CC(C)(NS(C)(=O)=O)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000460959249 484494637 /nfs/dbraw/zinc/49/46/37/484494637.db2.gz CUROZYRIGLTVNV-UHFFFAOYSA-N -1 0 357.439 -0.824 20 0 FBADRM COC[C@H](CO)NC(=O)c1cc([N-]S(C)(=O)=O)c(OC)c(OC)c1 ZINC000461438772 484550648 /nfs/dbraw/zinc/55/06/48/484550648.db2.gz NGFZNTIJRVENDO-JTQLQIEISA-N -1 0 362.404 -0.188 20 0 FBADRM CNS(=O)(=O)c1ccc(O)c(NC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000461457921 484550198 /nfs/dbraw/zinc/55/01/98/484550198.db2.gz URRLYVIPCPAKEZ-UHFFFAOYSA-N -1 0 354.344 -0.648 20 0 FBADRM CNS(=O)(=O)c1ccc(O)c(NC(=O)CSc2n[nH]c(=O)[n-]2)c1 ZINC000461461276 484551653 /nfs/dbraw/zinc/55/16/53/484551653.db2.gz STARDNKMWYXBHS-UHFFFAOYSA-N -1 0 359.389 -0.145 20 0 FBADRM CC(C)(NC(=O)CNC(=O)c1cnc2ccccc2c1O)c1nnn[n-]1 ZINC000461632824 484554346 /nfs/dbraw/zinc/55/43/46/484554346.db2.gz CMZYRALXMWEDCR-UHFFFAOYSA-N -1 0 355.358 -0.178 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)c2nnn[n-]2)cc1 ZINC000461633134 484554207 /nfs/dbraw/zinc/55/42/07/484554207.db2.gz IDQWYGBZNDEUFC-UHFFFAOYSA-N -1 0 368.419 -0.211 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)c2nnn[n-]2)c1 ZINC000461633321 484554330 /nfs/dbraw/zinc/55/43/30/484554330.db2.gz FIFRBAWEETVGLO-UHFFFAOYSA-N -1 0 368.419 -0.211 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)NC(C)(C)c2nnn[n-]2)ccc1OC ZINC000461638366 484554290 /nfs/dbraw/zinc/55/42/90/484554290.db2.gz SHCCOPDMURPURS-UHFFFAOYSA-N -1 0 354.392 -0.219 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC(C)(C)c1nnn[n-]1 ZINC000461652194 484556172 /nfs/dbraw/zinc/55/61/72/484556172.db2.gz YXANVEXURUWSJC-ZETCQYMHSA-N -1 0 357.396 -0.477 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NC2CN(C(C)=O)C2)c1 ZINC000461714472 484557299 /nfs/dbraw/zinc/55/72/99/484557299.db2.gz INXSZQFOPWTYCA-UHFFFAOYSA-N -1 0 368.415 -0.023 20 0 FBADRM COC(=O)[C@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCC1)c1ccn(C)n1 ZINC000462061048 484565130 /nfs/dbraw/zinc/56/51/30/484565130.db2.gz SKLVCYPYDTZOFQ-LLVKDONJSA-N -1 0 359.404 -0.103 20 0 FBADRM COC(=O)[C@@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCC1)c1ccn(C)n1 ZINC000462061049 484565550 /nfs/dbraw/zinc/56/55/50/484565550.db2.gz SKLVCYPYDTZOFQ-NSHDSACASA-N -1 0 359.404 -0.103 20 0 FBADRM COC(=O)C[C@@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)OC ZINC000462083763 484565387 /nfs/dbraw/zinc/56/53/87/484565387.db2.gz JCZYWZNQZRQFDF-SECBINFHSA-N -1 0 351.377 -0.646 20 0 FBADRM COC(=O)C[C@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)OC ZINC000462083764 484565257 /nfs/dbraw/zinc/56/52/57/484565257.db2.gz JCZYWZNQZRQFDF-VIFPVBQESA-N -1 0 351.377 -0.646 20 0 FBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000462179824 484567564 /nfs/dbraw/zinc/56/75/64/484567564.db2.gz ZKWJKIYDVJBMEN-UHFFFAOYSA-N -1 0 358.402 -0.092 20 0 FBADRM COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000462275292 484039792 /nfs/dbraw/zinc/03/97/92/484039792.db2.gz ABLOOIFMJQCAMF-UHFFFAOYSA-N -1 0 362.385 -0.548 20 0 FBADRM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)nc1 ZINC000462366585 484572464 /nfs/dbraw/zinc/57/24/64/484572464.db2.gz UWGZRZLJRWPOCT-UHFFFAOYSA-N -1 0 370.412 -0.111 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)cn1 ZINC000462376093 484572010 /nfs/dbraw/zinc/57/20/10/484572010.db2.gz IDYKCKXMZZUNJN-UHFFFAOYSA-N -1 0 352.372 -0.115 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(OCC(N)=O)cc2)cn1 ZINC000462378487 484571854 /nfs/dbraw/zinc/57/18/54/484571854.db2.gz YXZQTLKOBAGYHC-UHFFFAOYSA-N -1 0 368.371 -0.279 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)cn1 ZINC000462387625 484572318 /nfs/dbraw/zinc/57/23/18/484572318.db2.gz HIGGEEPNQJGSQU-UHFFFAOYSA-N -1 0 374.400 -0.496 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cn1 ZINC000462388080 484571987 /nfs/dbraw/zinc/57/19/87/484571987.db2.gz MZASKVFZIJFJHO-UHFFFAOYSA-N -1 0 374.400 -0.496 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccnc2-n2cncn2)cn1 ZINC000462388085 484571572 /nfs/dbraw/zinc/57/15/72/484571572.db2.gz NCEOIGUAVFXMKH-UHFFFAOYSA-N -1 0 363.359 -0.167 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)cn1 ZINC000462391817 484572028 /nfs/dbraw/zinc/57/20/28/484572028.db2.gz SWCOSJIHUOWNNV-UHFFFAOYSA-N -1 0 368.371 -0.212 20 0 FBADRM Cc1nc(CNS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)no1 ZINC000462491213 484575169 /nfs/dbraw/zinc/57/51/69/484575169.db2.gz QWXHIUOWDDSQBO-UHFFFAOYSA-N -1 0 352.332 -0.796 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CC1CC[NH+](CCO)CC1 ZINC000462655795 484576539 /nfs/dbraw/zinc/57/65/39/484576539.db2.gz BDWRIDSOJRPSJB-UHFFFAOYSA-N -1 0 363.461 -0.088 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@H](O)COCC1CC1 ZINC000462659224 484576174 /nfs/dbraw/zinc/57/61/74/484576174.db2.gz QEVQJNYBTMNFMJ-SECBINFHSA-N -1 0 350.418 -0.005 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@H](O)COCC1CC1 ZINC000462659228 484576152 /nfs/dbraw/zinc/57/61/52/484576152.db2.gz QEVQJNYBTMNFMJ-VIFPVBQESA-N -1 0 350.418 -0.005 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCNC(=O)c1cnccn1 ZINC000462662726 484576522 /nfs/dbraw/zinc/57/65/22/484576522.db2.gz XMUKRUBKWPKMEI-UHFFFAOYSA-N -1 0 371.400 -0.572 20 0 FBADRM COC(=O)C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)C(=O)OC ZINC000462663348 484575942 /nfs/dbraw/zinc/57/59/42/484575942.db2.gz QHQMYTXQYWROSO-LURJTMIESA-N -1 0 366.373 -0.687 20 0 FBADRM COC(=O)C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)C(=O)OC ZINC000462663351 484576438 /nfs/dbraw/zinc/57/64/38/484576438.db2.gz QHQMYTXQYWROSO-ZCFIWIBFSA-N -1 0 366.373 -0.687 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCCN1C(=O)CCC1=O ZINC000462664510 660115184 /nfs/dbraw/zinc/11/51/84/660115184.db2.gz GBSCXJZJGAVWKP-UHFFFAOYSA-N -1 0 361.401 -0.253 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@]1(C(=O)OC)CCOC1 ZINC000462667895 484577869 /nfs/dbraw/zinc/57/78/69/484577869.db2.gz UPQBPNQPQSQWOU-LLVKDONJSA-N -1 0 350.374 -0.460 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@]1(C(=O)OC)CCOC1 ZINC000462667896 484578240 /nfs/dbraw/zinc/57/82/40/484578240.db2.gz UPQBPNQPQSQWOU-NSHDSACASA-N -1 0 350.374 -0.460 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]Cc1ccc(C(N)=O)nc1 ZINC000462667941 484577057 /nfs/dbraw/zinc/57/70/57/484577057.db2.gz VAVKCUPZPIIXKP-UHFFFAOYSA-N -1 0 356.385 -0.098 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)OC ZINC000462688714 484577444 /nfs/dbraw/zinc/57/74/44/484577444.db2.gz NBCGHGRUYLGQLC-SSDOTTSWSA-N -1 0 370.371 -0.661 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)OC ZINC000462688715 484577968 /nfs/dbraw/zinc/57/79/68/484577968.db2.gz NBCGHGRUYLGQLC-ZETCQYMHSA-N -1 0 370.371 -0.661 20 0 FBADRM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)CCCS(C)(=O)=O ZINC000462692139 484577374 /nfs/dbraw/zinc/57/73/74/484577374.db2.gz LZVZEKWPJUYASM-SSDOTTSWSA-N -1 0 355.356 -0.166 20 0 FBADRM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)CCCS(C)(=O)=O ZINC000462692140 484577178 /nfs/dbraw/zinc/57/71/78/484577178.db2.gz LZVZEKWPJUYASM-ZETCQYMHSA-N -1 0 355.356 -0.166 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCS(=O)(=O)NC1CC1 ZINC000462693965 484577549 /nfs/dbraw/zinc/57/75/49/484577549.db2.gz WISGHZUCJVKEBT-UHFFFAOYSA-N -1 0 369.446 -0.710 20 0 FBADRM COc1cccc(-c2nc(=NC(=O)C(=O)N3CC(=O)N(C)C3)s[n-]2)c1 ZINC000462933645 484581892 /nfs/dbraw/zinc/58/18/92/484581892.db2.gz VQOPBVQLPMBBHB-UHFFFAOYSA-N -1 0 361.383 -0.168 20 0 FBADRM O=C(CS(=O)(=O)c1ncc[n-]1)N1CCN(C(=O)c2ccco2)CC1 ZINC000463062128 484583788 /nfs/dbraw/zinc/58/37/88/484583788.db2.gz NAUJILZGOZWPHD-UHFFFAOYSA-N -1 0 352.372 -0.239 20 0 FBADRM CC(C)CN(C(=O)CS(=O)(=O)c1ncc[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000463065236 484584858 /nfs/dbraw/zinc/58/48/58/484584858.db2.gz VPCURDCSRCIIQE-LLVKDONJSA-N -1 0 363.461 -0.145 20 0 FBADRM CC(C)CN(C(=O)CS(=O)(=O)c1ncc[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000463065237 483452390 /nfs/dbraw/zinc/45/23/90/483452390.db2.gz VPCURDCSRCIIQE-NSHDSACASA-N -1 0 363.461 -0.145 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]c3nc4ccccn4n3)cnc21 ZINC000463365006 484481105 /nfs/dbraw/zinc/48/11/05/484481105.db2.gz CZSHNFPJQPDVKJ-UHFFFAOYSA-N -1 0 373.354 -0.122 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2nccc(-c3ccco3)n2)c(=O)n(C)c1=O ZINC000463368226 484591186 /nfs/dbraw/zinc/59/11/86/484591186.db2.gz OZCWWUQZMSCIKW-UHFFFAOYSA-N -1 0 363.355 -0.065 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)o2)c(=O)n(C)c1=O ZINC000463371530 484591396 /nfs/dbraw/zinc/59/13/96/484591396.db2.gz PTOHSXMMLJVBKZ-UHFFFAOYSA-N -1 0 363.355 -0.065 20 0 FBADRM CCNC(=O)CNC(=O)c1cc([N-]S(C)(=O)=O)c(OC)c(OC)c1 ZINC000463434412 484591890 /nfs/dbraw/zinc/59/18/90/484591890.db2.gz HBUOCHHRCITNLD-UHFFFAOYSA-N -1 0 359.404 -0.059 20 0 FBADRM CNC(=O)CCNC(=O)c1cc([N-]S(C)(=O)=O)c(OC)c(OC)c1 ZINC000463658471 484595002 /nfs/dbraw/zinc/59/50/02/484595002.db2.gz ACMQUAUMJMEALR-UHFFFAOYSA-N -1 0 359.404 -0.059 20 0 FBADRM COc1cccc(-c2nc(=NC(=O)c3cn(CC(N)=O)nn3)s[n-]2)c1 ZINC000463764003 484595978 /nfs/dbraw/zinc/59/59/78/484595978.db2.gz ZOSDHBVVFFBQRG-UHFFFAOYSA-N -1 0 359.371 -0.035 20 0 FBADRM COC(=O)C[C@]1([N-]S(=O)(=O)c2scnc2C(=O)OC)CCOC1 ZINC000464210144 484602567 /nfs/dbraw/zinc/60/25/67/484602567.db2.gz GURYMQCJUILVTH-GFCCVEGCSA-N -1 0 364.401 -0.070 20 0 FBADRM COC(=O)C[C@@]1([N-]S(=O)(=O)c2scnc2C(=O)OC)CCOC1 ZINC000464210145 484244900 /nfs/dbraw/zinc/24/49/00/484244900.db2.gz GURYMQCJUILVTH-LBPRGKRZSA-N -1 0 364.401 -0.070 20 0 FBADRM C[C@@H](O)C[C@H]1COCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000464215738 484602268 /nfs/dbraw/zinc/60/22/68/484602268.db2.gz OBOCYBVIUUBQMF-BDAKNGLRSA-N -1 0 370.387 -0.404 20 0 FBADRM C[C@H](O)C[C@@H]1COCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000464215745 484602486 /nfs/dbraw/zinc/60/24/86/484602486.db2.gz OBOCYBVIUUBQMF-DTWKUNHWSA-N -1 0 370.387 -0.404 20 0 FBADRM C[C@H](O)C[C@H]1COCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000464215747 484602054 /nfs/dbraw/zinc/60/20/54/484602054.db2.gz OBOCYBVIUUBQMF-IUCAKERBSA-N -1 0 370.387 -0.404 20 0 FBADRM C[C@@H](O)C[C@@H]1COCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000464215749 484602725 /nfs/dbraw/zinc/60/27/25/484602725.db2.gz OBOCYBVIUUBQMF-RKDXNWHRSA-N -1 0 370.387 -0.404 20 0 FBADRM Cc1nc(=NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)s[n-]1 ZINC000464417478 484604932 /nfs/dbraw/zinc/60/49/32/484604932.db2.gz OOLJBPSZJKJGPE-UHFFFAOYSA-N -1 0 363.384 -0.068 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCC(=O)N2CCCC2)c1 ZINC000464470562 484604293 /nfs/dbraw/zinc/60/42/93/484604293.db2.gz JPPVHYKRXRLBJN-UHFFFAOYSA-N -1 0 355.416 -0.005 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCCN2CCOCC2)c1 ZINC000464472301 484604371 /nfs/dbraw/zinc/60/43/71/484604371.db2.gz DLCFLGLLZCLHKA-UHFFFAOYSA-N -1 0 357.432 -0.296 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCCNC(=O)C2CC2)c1 ZINC000464473297 484604980 /nfs/dbraw/zinc/60/49/80/484604980.db2.gz GOSXDNBBARGWTC-UHFFFAOYSA-N -1 0 355.416 -0.102 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCN(CCO)CC2)c1 ZINC000464474322 484604307 /nfs/dbraw/zinc/60/43/07/484604307.db2.gz KDZBUGLSMAIBPT-UHFFFAOYSA-N -1 0 357.432 -0.607 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000464476015 484263673 /nfs/dbraw/zinc/26/36/73/484263673.db2.gz OTINZRSIRWIPSS-SECBINFHSA-N -1 0 362.429 -0.441 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000464476016 484263381 /nfs/dbraw/zinc/26/33/81/484263381.db2.gz OTINZRSIRWIPSS-VIFPVBQESA-N -1 0 362.429 -0.441 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N(C)CC(=O)NC2CC2)c1 ZINC000464476206 484604410 /nfs/dbraw/zinc/60/44/10/484604410.db2.gz XBNLBVDXNFAFRK-UHFFFAOYSA-N -1 0 355.416 -0.007 20 0 FBADRM CC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CC1 ZINC000464477107 484604453 /nfs/dbraw/zinc/60/44/53/484604453.db2.gz RITSRQQBMCGVPX-UHFFFAOYSA-N -1 0 355.416 -0.053 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@H](C(N)=O)C2)c1 ZINC000464478552 484604716 /nfs/dbraw/zinc/60/47/16/484604716.db2.gz UUDOKCPBHLYFJE-JTQLQIEISA-N -1 0 355.416 -0.020 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000464478553 484604236 /nfs/dbraw/zinc/60/42/36/484604236.db2.gz UUDOKCPBHLYFJE-SNVBAGLBSA-N -1 0 355.416 -0.020 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)Nc2cnn(CC(N)=O)c2)c1 ZINC000464550771 484604732 /nfs/dbraw/zinc/60/47/32/484604732.db2.gz OCXMWUQETCSAKM-UHFFFAOYSA-N -1 0 367.387 -0.423 20 0 FBADRM Cc1c([N-]S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)cnn1C ZINC000464843734 484609191 /nfs/dbraw/zinc/60/91/91/484609191.db2.gz YYDOEQVHJKDRRT-UHFFFAOYSA-N -1 0 350.360 -0.123 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NCCCO[C@@H]2CCOC2)cn1C ZINC000465079564 484612601 /nfs/dbraw/zinc/61/26/01/484612601.db2.gz WHWLERFNQGMNBQ-GFCCVEGCSA-N -1 0 360.436 -0.681 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NCCCO[C@H]2CCOC2)cn1C ZINC000465079565 484612974 /nfs/dbraw/zinc/61/29/74/484612974.db2.gz WHWLERFNQGMNBQ-LBPRGKRZSA-N -1 0 360.436 -0.681 20 0 FBADRM COC(=O)C(C)(C)CNC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 ZINC000465117459 484612890 /nfs/dbraw/zinc/61/28/90/484612890.db2.gz GQJWSCBOZWFYSW-UHFFFAOYSA-N -1 0 360.436 -0.288 20 0 FBADRM Cn1c2c(ccn2CC(=O)NC2(c3nnn[n-]3)CCCC2)c(=O)n(C)c1=O ZINC000465129389 484613481 /nfs/dbraw/zinc/61/34/81/484613481.db2.gz NYHCFSBJWPHLTR-UHFFFAOYSA-N -1 0 372.389 -0.863 20 0 FBADRM Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)NCCC(N)=O)cn1 ZINC000465139083 484613460 /nfs/dbraw/zinc/61/34/60/484613460.db2.gz MSDPSHNWALLWRI-UHFFFAOYSA-N -1 0 357.417 -0.112 20 0 FBADRM CSc1n[nH]c([N-]S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)n1 ZINC000466389183 484633906 /nfs/dbraw/zinc/63/39/06/484633906.db2.gz BEJVRFINDGLYLO-UHFFFAOYSA-N -1 0 369.388 -0.325 20 0 FBADRM CNC(=O)N[C@@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000466573456 484636720 /nfs/dbraw/zinc/63/67/20/484636720.db2.gz NFJRQFCGKPAJDV-SSDOTTSWSA-N -1 0 368.375 -0.872 20 0 FBADRM CNC(=O)N[C@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000466573460 484636226 /nfs/dbraw/zinc/63/62/26/484636226.db2.gz NFJRQFCGKPAJDV-ZETCQYMHSA-N -1 0 368.375 -0.872 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCCCS(C)(=O)=O)c1 ZINC000466627745 484637568 /nfs/dbraw/zinc/63/75/68/484637568.db2.gz UQEIYJWMBPMOSL-UHFFFAOYSA-N -1 0 364.445 -0.193 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCCNc2cnccn2)c1 ZINC000466636453 484112725 /nfs/dbraw/zinc/11/27/25/484112725.db2.gz USBGHXOHRDGXKJ-UHFFFAOYSA-N -1 0 365.415 0.274 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCCCS(N)(=O)=O)c1 ZINC000466638819 484637870 /nfs/dbraw/zinc/63/78/70/484637870.db2.gz HLOUGHZWMVHKHU-UHFFFAOYSA-N -1 0 365.433 -0.949 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)cn1C ZINC000467069682 484645249 /nfs/dbraw/zinc/64/52/49/484645249.db2.gz BFEWDZRNCCDZCC-UHFFFAOYSA-N -1 0 355.376 -0.316 20 0 FBADRM COC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)n(C)c2)n1 ZINC000467070993 484644762 /nfs/dbraw/zinc/64/47/62/484644762.db2.gz GVBGAGXGTGPZMP-UHFFFAOYSA-N -1 0 356.360 -0.018 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)OC)n(C)c2)cn1 ZINC000467073106 484645453 /nfs/dbraw/zinc/64/54/53/484645453.db2.gz QKZYWHIFTZDAKQ-UHFFFAOYSA-N -1 0 355.376 -0.445 20 0 FBADRM CCOC(=O)[C@](C)(O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000467074243 484645234 /nfs/dbraw/zinc/64/52/34/484645234.db2.gz UPSHIAKIFPLWSU-CYBMUJFWSA-N -1 0 372.359 -0.972 20 0 FBADRM CCOC(=O)[C@@](C)(O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000467074244 484645288 /nfs/dbraw/zinc/64/52/88/484645288.db2.gz UPSHIAKIFPLWSU-ZDUSSCGKSA-N -1 0 372.359 -0.972 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccn(CC(=O)N(C)C)n2)cn1C ZINC000467075376 484645606 /nfs/dbraw/zinc/64/56/06/484645606.db2.gz OUIBCLNUSRQNLS-UHFFFAOYSA-N -1 0 369.403 -0.103 20 0 FBADRM COC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)OC)n(C)c2)cn1 ZINC000467086521 484645197 /nfs/dbraw/zinc/64/51/97/484645197.db2.gz UXHAFGQXDLNZIY-UHFFFAOYSA-N -1 0 356.360 -0.018 20 0 FBADRM CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000467087532 484646811 /nfs/dbraw/zinc/64/68/11/484646811.db2.gz ZGIMUGLLSZBZRL-LLVKDONJSA-N -1 0 352.390 -0.478 20 0 FBADRM CCOC(=O)[C@@](C)(O)C[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000467087533 484646493 /nfs/dbraw/zinc/64/64/93/484646493.db2.gz ZGIMUGLLSZBZRL-NSHDSACASA-N -1 0 352.390 -0.478 20 0 FBADRM CC(=O)C[C@@H]1COCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000467087538 484646777 /nfs/dbraw/zinc/64/67/77/484646777.db2.gz ZHYQKQMIYORMEI-SECBINFHSA-N -1 0 368.371 -0.195 20 0 FBADRM CC(=O)C[C@H]1COCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000467087539 484646453 /nfs/dbraw/zinc/64/64/53/484646453.db2.gz ZHYQKQMIYORMEI-VIFPVBQESA-N -1 0 368.371 -0.195 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(=O)N(C)C)c2)cn1C ZINC000467090262 484646915 /nfs/dbraw/zinc/64/69/15/484646915.db2.gz MPUHWEFEHOXDGA-UHFFFAOYSA-N -1 0 369.403 -0.103 20 0 FBADRM CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NCc1cnc(C)[nH]c1=O ZINC000467165905 484647963 /nfs/dbraw/zinc/64/79/63/484647963.db2.gz XFLQDOBYYONULC-UHFFFAOYSA-N -1 0 362.346 -0.344 20 0 FBADRM COCCc1ccccc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000467168323 484647453 /nfs/dbraw/zinc/64/74/53/484647453.db2.gz HZVJXYQXAJHPHL-CYBMUJFWSA-N -1 0 360.370 -0.423 20 0 FBADRM COCCc1ccccc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000467168329 484647711 /nfs/dbraw/zinc/64/77/11/484647711.db2.gz HZVJXYQXAJHPHL-ZDUSSCGKSA-N -1 0 360.370 -0.423 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)Cc1nnnn1C ZINC000467176668 484647560 /nfs/dbraw/zinc/64/75/60/484647560.db2.gz PTIVKXMLCRFRFL-QMMMGPOBSA-N -1 0 357.396 -0.860 20 0 FBADRM CNC(=O)Cn1cnc(=NC(=O)C(=O)NCc2cc(Cl)ccc2C)[n-]1 ZINC000467186716 846126791 /nfs/dbraw/zinc/12/67/91/846126791.db2.gz NYKGWNTXNHAYPX-UHFFFAOYSA-N -1 0 364.793 -0.337 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000467280952 484650751 /nfs/dbraw/zinc/65/07/51/484650751.db2.gz ZNJPNUUUFNMKKV-UHFFFAOYSA-N -1 0 362.429 -0.487 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCNC(=O)C2(C)C)c1 ZINC000467287134 484650338 /nfs/dbraw/zinc/65/03/38/484650338.db2.gz DQQQNBPXYFNOAP-UHFFFAOYSA-N -1 0 355.416 -0.007 20 0 FBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000467330524 484651567 /nfs/dbraw/zinc/65/15/67/484651567.db2.gz PPZDBSFRTCRMAY-MRVPVSSYSA-N -1 0 360.461 -0.159 20 0 FBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000467330525 484651575 /nfs/dbraw/zinc/65/15/75/484651575.db2.gz PPZDBSFRTCRMAY-QMMMGPOBSA-N -1 0 360.461 -0.159 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)cn1C ZINC000467437901 483785627 /nfs/dbraw/zinc/78/56/27/483785627.db2.gz JXGJGLOMPALWTG-UHFFFAOYSA-N -1 0 370.391 -0.708 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)OC)n(C)c2)n1 ZINC000467438621 484653749 /nfs/dbraw/zinc/65/37/49/484653749.db2.gz HTMAOZWWZFTDQR-UHFFFAOYSA-N -1 0 357.348 -0.623 20 0 FBADRM Cc1cc(NC(=O)CSCC(=O)NCCCc2n[nH]c(=O)[n-]2)no1 ZINC000467458881 484307200 /nfs/dbraw/zinc/30/72/00/484307200.db2.gz QHMQAMAWQAQOBF-UHFFFAOYSA-N -1 0 354.392 0.227 20 0 FBADRM CN(CC(=O)NCCCc1n[nH]c(=O)[n-]1)S(=O)(=O)c1ccccc1 ZINC000467462634 484654016 /nfs/dbraw/zinc/65/40/16/484654016.db2.gz BXDRWAVPPPEKGI-UHFFFAOYSA-N -1 0 353.404 -0.120 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000467462883 484653573 /nfs/dbraw/zinc/65/35/73/484653573.db2.gz FBWRLPJBEIEUMU-UHFFFAOYSA-N -1 0 355.376 -0.471 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)NCCCc2n[nH]c(=O)[n-]2)ccc1OC ZINC000467464020 484652899 /nfs/dbraw/zinc/65/28/99/484652899.db2.gz NDDPNHBFWOTTPB-UHFFFAOYSA-N -1 0 369.403 -0.210 20 0 FBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000467464643 484653795 /nfs/dbraw/zinc/65/37/95/484653795.db2.gz DTCFRMNFMOZVRI-UHFFFAOYSA-N -1 0 358.358 -0.075 20 0 FBADRM CS(=O)(=O)c1nc(C(=O)NCCCc2n[nH]c(=O)[n-]2)c2ccccn21 ZINC000467467009 484652878 /nfs/dbraw/zinc/65/28/78/484652878.db2.gz MJVATFLIUMFSBL-UHFFFAOYSA-N -1 0 364.387 -0.076 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000467469600 484653193 /nfs/dbraw/zinc/65/31/93/484653193.db2.gz PGUVJFLGRHQMTF-QMMMGPOBSA-N -1 0 372.407 -0.469 20 0 FBADRM C[C@H](C(=O)NCCCc1n[nH]c(=O)[n-]1)N1C(=O)NC2(CCCC2)C1=O ZINC000467469703 484653160 /nfs/dbraw/zinc/65/31/60/484653160.db2.gz VIFQUSRURSHXLV-SECBINFHSA-N -1 0 350.379 -0.188 20 0 FBADRM C[C@@H](C(=O)NCCCc1n[nH]c(=O)[n-]1)N1C(=O)NC2(CCCC2)C1=O ZINC000467469707 484653325 /nfs/dbraw/zinc/65/33/25/484653325.db2.gz VIFQUSRURSHXLV-VIFPVBQESA-N -1 0 350.379 -0.188 20 0 FBADRM O=C(CNC(=O)c1cnc2ccccc2c1O)NCCCc1n[nH]c(=O)[n-]1 ZINC000467469805 484652934 /nfs/dbraw/zinc/65/29/34/484652934.db2.gz YYOVEFAYEYRHQK-UHFFFAOYSA-N -1 0 370.369 -0.169 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000467471942 484653608 /nfs/dbraw/zinc/65/36/08/484653608.db2.gz LRNLHSFEVHDDJE-MRVPVSSYSA-N -1 0 359.433 -0.012 20 0 FBADRM C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000467471943 484653969 /nfs/dbraw/zinc/65/39/69/484653969.db2.gz LRNLHSFEVHDDJE-QMMMGPOBSA-N -1 0 359.433 -0.012 20 0 FBADRM C[C@](O)(CNC(=O)c1ccccc1[N-]S(C)(=O)=O)CN1CCOCC1 ZINC000467500825 484654909 /nfs/dbraw/zinc/65/49/09/484654909.db2.gz FMAXEILLSUPCOX-INIZCTEOSA-N -1 0 371.459 -0.129 20 0 FBADRM C[C@@](O)(CNC(=O)c1ccccc1[N-]S(C)(=O)=O)CN1CCOCC1 ZINC000467500826 484655354 /nfs/dbraw/zinc/65/53/54/484655354.db2.gz FMAXEILLSUPCOX-MRXNPFEDSA-N -1 0 371.459 -0.129 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCCc2nncn2C)c1 ZINC000467514787 484656076 /nfs/dbraw/zinc/65/60/76/484656076.db2.gz YLJDWWFIXFCHQR-UHFFFAOYSA-N -1 0 353.404 -0.257 20 0 FBADRM CC(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C1 ZINC000467528347 484656166 /nfs/dbraw/zinc/65/61/66/484656166.db2.gz TYQUVGSFSULRJP-LLVKDONJSA-N -1 0 355.416 -0.007 20 0 FBADRM CC(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C1 ZINC000467528349 484656590 /nfs/dbraw/zinc/65/65/90/484656590.db2.gz TYQUVGSFSULRJP-NSHDSACASA-N -1 0 355.416 -0.007 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCc2cc(C(N)=O)no2)c1 ZINC000467631725 484659066 /nfs/dbraw/zinc/65/90/66/484659066.db2.gz YAJQERUTFXVJDC-UHFFFAOYSA-N -1 0 368.371 -0.341 20 0 FBADRM CCC[C@H](NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)c1nnn[n-]1 ZINC000467637754 484658944 /nfs/dbraw/zinc/65/89/44/484658944.db2.gz PQPBKTXQEDSFRC-JTQLQIEISA-N -1 0 370.439 -0.432 20 0 FBADRM CCC[C@@H](NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)c1nnn[n-]1 ZINC000467637763 484658912 /nfs/dbraw/zinc/65/89/12/484658912.db2.gz PQPBKTXQEDSFRC-SNVBAGLBSA-N -1 0 370.439 -0.432 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N(C)Cc2nnnn2C)c1 ZINC000467639161 484658505 /nfs/dbraw/zinc/65/85/05/484658505.db2.gz ZPQURPZRKGIDQR-UHFFFAOYSA-N -1 0 354.392 -0.562 20 0 FBADRM CCC[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1nnn[n-]1 ZINC000467639741 484658594 /nfs/dbraw/zinc/65/85/94/484658594.db2.gz WWPRZQIYWOEKCG-CHWSQXEVSA-N -1 0 365.438 -0.662 20 0 FBADRM CCC[C@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1nnn[n-]1 ZINC000467639743 484658804 /nfs/dbraw/zinc/65/88/04/484658804.db2.gz WWPRZQIYWOEKCG-OLZOCXBDSA-N -1 0 365.438 -0.662 20 0 FBADRM CCC[C@@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1nnn[n-]1 ZINC000467639745 484658726 /nfs/dbraw/zinc/65/87/26/484658726.db2.gz WWPRZQIYWOEKCG-QWHCGFSZSA-N -1 0 365.438 -0.662 20 0 FBADRM CCC[C@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1nnn[n-]1 ZINC000467639746 484658986 /nfs/dbraw/zinc/65/89/86/484658986.db2.gz WWPRZQIYWOEKCG-STQMWFEESA-N -1 0 365.438 -0.662 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c1 ZINC000467639954 484659125 /nfs/dbraw/zinc/65/91/25/484659125.db2.gz JNOIFESDBVDIJY-NOZJJQNGSA-N -1 0 371.415 -0.595 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c1 ZINC000467639967 484658610 /nfs/dbraw/zinc/65/86/10/484658610.db2.gz JNOIFESDBVDIJY-RNCFNFMXSA-N -1 0 371.415 -0.595 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c1 ZINC000467639970 484658974 /nfs/dbraw/zinc/65/89/74/484658974.db2.gz JNOIFESDBVDIJY-TVQRCGJNSA-N -1 0 371.415 -0.595 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c1 ZINC000467639972 484658551 /nfs/dbraw/zinc/65/85/51/484658551.db2.gz JNOIFESDBVDIJY-ZANVPECISA-N -1 0 371.415 -0.595 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCCc2ncn(C)n2)c1 ZINC000467644281 484658756 /nfs/dbraw/zinc/65/87/56/484658756.db2.gz UGEJZMQUBCBEID-UHFFFAOYSA-N -1 0 353.404 -0.257 20 0 FBADRM CCC[C@H](NC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)c1nnn[n-]1 ZINC000467645341 484658642 /nfs/dbraw/zinc/65/86/42/484658642.db2.gz YVAKCRCRFGXUDC-JTQLQIEISA-N -1 0 360.378 -0.791 20 0 FBADRM CCC[C@@H](NC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)c1nnn[n-]1 ZINC000467645342 484658766 /nfs/dbraw/zinc/65/87/66/484658766.db2.gz YVAKCRCRFGXUDC-SNVBAGLBSA-N -1 0 360.378 -0.791 20 0 FBADRM CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccnc1)c1nnn[n-]1 ZINC000467645962 484659101 /nfs/dbraw/zinc/65/91/01/484659101.db2.gz IHKPIDBMPCFKGT-LLVKDONJSA-N -1 0 353.408 -0.127 20 0 FBADRM CCC[C@H](NC(=O)CN(C)S(=O)(=O)c1cccnc1)c1nnn[n-]1 ZINC000467645965 484658356 /nfs/dbraw/zinc/65/83/56/484658356.db2.gz IHKPIDBMPCFKGT-NSHDSACASA-N -1 0 353.408 -0.127 20 0 FBADRM CCC[C@@H](NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1)c1nnn[n-]1 ZINC000467652771 484658418 /nfs/dbraw/zinc/65/84/18/484658418.db2.gz GQCOWNRWYAVFLD-SECBINFHSA-N -1 0 356.412 -0.822 20 0 FBADRM CCC[C@H](NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1)c1nnn[n-]1 ZINC000467652772 484658490 /nfs/dbraw/zinc/65/84/90/484658490.db2.gz GQCOWNRWYAVFLD-VIFPVBQESA-N -1 0 356.412 -0.822 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCCN2C(=O)CCC2=O)c1 ZINC000467720701 484660547 /nfs/dbraw/zinc/66/05/47/484660547.db2.gz BVBMNWDHYQYLOJ-UHFFFAOYSA-N -1 0 369.399 -0.479 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2CCN(C(N)=O)C2)c1 ZINC000467724909 484660953 /nfs/dbraw/zinc/66/09/53/484660953.db2.gz VDJLADFEDPWBJT-SECBINFHSA-N -1 0 356.404 -0.475 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2CCN(C(N)=O)C2)c1 ZINC000467724910 484661668 /nfs/dbraw/zinc/66/16/68/484661668.db2.gz VDJLADFEDPWBJT-VIFPVBQESA-N -1 0 356.404 -0.475 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCC2(O)CCOCC2)c1 ZINC000467759427 484661358 /nfs/dbraw/zinc/66/13/58/484661358.db2.gz SSAYKEJQVFOFSX-UHFFFAOYSA-N -1 0 358.416 -0.086 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCN3C(=O)NC[C@H]3C2)c1 ZINC000467760674 484662144 /nfs/dbraw/zinc/66/21/44/484662144.db2.gz UFAFZFQOGCPVEL-JTQLQIEISA-N -1 0 368.415 -0.508 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000467760678 484661052 /nfs/dbraw/zinc/66/10/52/484661052.db2.gz UFAFZFQOGCPVEL-SNVBAGLBSA-N -1 0 368.415 -0.508 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2CCCN(C)C2=O)c1 ZINC000467761357 484661477 /nfs/dbraw/zinc/66/14/77/484661477.db2.gz YGYRIMCTNRREHG-GFCCVEGCSA-N -1 0 355.416 -0.007 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2CCCN(C)C2=O)c1 ZINC000467761358 484661030 /nfs/dbraw/zinc/66/10/30/484661030.db2.gz YGYRIMCTNRREHG-LBPRGKRZSA-N -1 0 355.416 -0.007 20 0 FBADRM Cc1nncn1CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000467785087 484663735 /nfs/dbraw/zinc/66/37/35/484663735.db2.gz DEAGGAOWAKPVHZ-UHFFFAOYSA-N -1 0 353.404 -0.028 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000467787084 484663767 /nfs/dbraw/zinc/66/37/67/484663767.db2.gz IWEYSYJYOOZOMN-JTQLQIEISA-N -1 0 355.416 -0.007 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2CCC(=O)N(C)C2)c1 ZINC000467787086 484664247 /nfs/dbraw/zinc/66/42/47/484664247.db2.gz IWEYSYJYOOZOMN-SNVBAGLBSA-N -1 0 355.416 -0.007 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCCc2nc(N)no2)c1 ZINC000467799414 484496662 /nfs/dbraw/zinc/49/66/62/484496662.db2.gz OCVJYBPGJBPLOF-UHFFFAOYSA-N -1 0 355.376 -0.420 20 0 FBADRM Nc1nsc(N2CCN(C(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)CC2)n1 ZINC000467843204 484555676 /nfs/dbraw/zinc/55/56/76/484555676.db2.gz HKTXKKKYBKPIDB-UHFFFAOYSA-N -1 0 374.386 -0.168 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCc2cncnc2N)c1 ZINC000467919647 484496882 /nfs/dbraw/zinc/49/68/82/484496882.db2.gz OZBVYVSZVRVWJP-UHFFFAOYSA-N -1 0 351.388 -0.055 20 0 FBADRM CN(C)C(=O)Cn1cnc(=NC(=O)N=c2cc([C@H]3CCCOC3)[nH][nH]2)[n-]1 ZINC000467929272 484665446 /nfs/dbraw/zinc/66/54/46/484665446.db2.gz GWXHUFWFIWDBER-JTQLQIEISA-N -1 0 362.394 -0.529 20 0 FBADRM CN(C)C(=O)Cn1cnc(=NC(=O)N=c2cc([C@@H]3CCCOC3)[nH][nH]2)[n-]1 ZINC000467929274 484665109 /nfs/dbraw/zinc/66/51/09/484665109.db2.gz GWXHUFWFIWDBER-SNVBAGLBSA-N -1 0 362.394 -0.529 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2CCC(=O)NC2=O)c1 ZINC000467932953 484665346 /nfs/dbraw/zinc/66/53/46/484665346.db2.gz DUCMZLKSGMQUQX-JTQLQIEISA-N -1 0 355.372 -0.823 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2CCC(=O)NC2=O)c1 ZINC000467932954 484664984 /nfs/dbraw/zinc/66/49/84/484664984.db2.gz DUCMZLKSGMQUQX-SNVBAGLBSA-N -1 0 355.372 -0.823 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H](O)[C@H]2CCOC2)c1 ZINC000467935569 484665311 /nfs/dbraw/zinc/66/53/11/484665311.db2.gz OXUHGVXGWRNTMM-HZMBPMFUSA-N -1 0 358.416 -0.230 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H](O)[C@H]2CCOC2)c1 ZINC000467935570 484665421 /nfs/dbraw/zinc/66/54/21/484665421.db2.gz OXUHGVXGWRNTMM-IINYFYTJSA-N -1 0 358.416 -0.230 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H](O)[C@@H]2CCOC2)c1 ZINC000467935571 484664921 /nfs/dbraw/zinc/66/49/21/484664921.db2.gz OXUHGVXGWRNTMM-QMTHXVAHSA-N -1 0 358.416 -0.230 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H](O)[C@@H]2CCOC2)c1 ZINC000467935572 484665645 /nfs/dbraw/zinc/66/56/45/484665645.db2.gz OXUHGVXGWRNTMM-YGRLFVJLSA-N -1 0 358.416 -0.230 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H]2CN3CCN2CC3)c1 ZINC000467942020 484664867 /nfs/dbraw/zinc/66/48/67/484664867.db2.gz NJZAJLOAXAKZMT-GFCCVEGCSA-N -1 0 368.459 -0.628 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H]2CN3CCN2CC3)c1 ZINC000467942021 484665549 /nfs/dbraw/zinc/66/55/49/484665549.db2.gz NJZAJLOAXAKZMT-LBPRGKRZSA-N -1 0 368.459 -0.628 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@H](NC(N)=O)C2)c1 ZINC000467975309 484667283 /nfs/dbraw/zinc/66/72/83/484667283.db2.gz OXONNEQUMKDGHY-SECBINFHSA-N -1 0 356.404 -0.475 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@H](NC(N)=O)C2)c1 ZINC000467975310 484667470 /nfs/dbraw/zinc/66/74/70/484667470.db2.gz OXONNEQUMKDGHY-VIFPVBQESA-N -1 0 356.404 -0.475 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N(C)CC(C)(CO)CO)c1 ZINC000467998815 484667144 /nfs/dbraw/zinc/66/71/44/484667144.db2.gz SHXABZDTMMVNMO-UHFFFAOYSA-N -1 0 360.432 -0.295 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@H](CO)c2cnn(C)c2)c1 ZINC000468025386 484667507 /nfs/dbraw/zinc/66/75/07/484667507.db2.gz QPRIMIPSJVCZFL-CYBMUJFWSA-N -1 0 368.415 -0.161 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H](CO)c2cnn(C)c2)c1 ZINC000468025387 484667418 /nfs/dbraw/zinc/66/74/18/484667418.db2.gz QPRIMIPSJVCZFL-ZDUSSCGKSA-N -1 0 368.415 -0.161 20 0 FBADRM CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)C1 ZINC000468063715 484669493 /nfs/dbraw/zinc/66/94/93/484669493.db2.gz AKXDPLIBXDOGRN-MRVPVSSYSA-N -1 0 354.436 -0.274 20 0 FBADRM CNC(=O)N[C@H]1CCN(C(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)C1 ZINC000468063716 484670047 /nfs/dbraw/zinc/67/00/47/484670047.db2.gz AKXDPLIBXDOGRN-QMMMGPOBSA-N -1 0 354.436 -0.274 20 0 FBADRM Cc1cc(C(=O)N(C)CC(=O)N2CCOCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000468148471 484672632 /nfs/dbraw/zinc/67/26/32/484672632.db2.gz HWGJMZADQVUUST-UHFFFAOYSA-N -1 0 361.358 -0.325 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC(n3ccnn3)C2)c1 ZINC000468185686 484673601 /nfs/dbraw/zinc/67/36/01/484673601.db2.gz CPJFYEUJCUJEGW-UHFFFAOYSA-N -1 0 351.388 -0.069 20 0 FBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000468281304 484675520 /nfs/dbraw/zinc/67/55/20/484675520.db2.gz NAIHCIRBMYZBPT-GFCCVEGCSA-N -1 0 373.416 -0.539 20 0 FBADRM C[C@](O)(Cn1ccccc1=O)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000468281305 484675557 /nfs/dbraw/zinc/67/55/57/484675557.db2.gz NAIHCIRBMYZBPT-LBPRGKRZSA-N -1 0 373.416 -0.539 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000468307223 484676892 /nfs/dbraw/zinc/67/68/92/484676892.db2.gz GEWJHEQYTXRQDT-GFCCVEGCSA-N -1 0 369.443 -0.201 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000468307224 484676285 /nfs/dbraw/zinc/67/62/85/484676285.db2.gz GEWJHEQYTXRQDT-LBPRGKRZSA-N -1 0 369.443 -0.201 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCC(=O)NCC2CC2)c1 ZINC000468326722 484676393 /nfs/dbraw/zinc/67/63/93/484676393.db2.gz BKQSNKYOVBGWNU-UHFFFAOYSA-N -1 0 355.416 -0.102 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCc2nccc(N)n2)c1 ZINC000468329352 484496582 /nfs/dbraw/zinc/49/65/82/484496582.db2.gz RZSUTPSFPKSKDE-UHFFFAOYSA-N -1 0 351.388 -0.055 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCC(=O)N2CCOCC2)c1 ZINC000468329741 484677890 /nfs/dbraw/zinc/67/78/90/484677890.db2.gz NLKVJQYSTXIKAL-UHFFFAOYSA-N -1 0 371.415 -0.769 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC2(CO)CCOCC2)c1 ZINC000468362273 484679279 /nfs/dbraw/zinc/67/92/79/484679279.db2.gz WMFXDECKNFNXPC-UHFFFAOYSA-N -1 0 358.416 -0.086 20 0 FBADRM Cc1cc(C(=O)NCC2(C(N)=O)CCOCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000468464259 484683937 /nfs/dbraw/zinc/68/39/37/484683937.db2.gz XQZGXDGLLLNXMB-UHFFFAOYSA-N -1 0 361.358 -0.244 20 0 FBADRM COC(=O)[C@H]1CNC(=O)CN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000468639144 484687787 /nfs/dbraw/zinc/68/77/87/484687787.db2.gz OYLUOZGLMVIPNX-LLVKDONJSA-N -1 0 362.317 -0.169 20 0 FBADRM COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000468639145 484687005 /nfs/dbraw/zinc/68/70/05/484687005.db2.gz OYLUOZGLMVIPNX-NSHDSACASA-N -1 0 362.317 -0.169 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H](CO)[C@H]2CCCO2)c1 ZINC000468656807 484688416 /nfs/dbraw/zinc/68/84/16/484688416.db2.gz AFIJZTHITYKNPD-GXTWGEPZSA-N -1 0 358.416 -0.088 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H](CO)[C@@H]2CCCO2)c1 ZINC000468656808 484688397 /nfs/dbraw/zinc/68/83/97/484688397.db2.gz AFIJZTHITYKNPD-JSGCOSHPSA-N -1 0 358.416 -0.088 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@H](CO)[C@@H]2CCCO2)c1 ZINC000468656809 484689108 /nfs/dbraw/zinc/68/91/08/484689108.db2.gz AFIJZTHITYKNPD-OCCSQVGLSA-N -1 0 358.416 -0.088 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@H](CO)[C@H]2CCCO2)c1 ZINC000468656810 484688939 /nfs/dbraw/zinc/68/89/39/484688939.db2.gz AFIJZTHITYKNPD-TZMCWYRMSA-N -1 0 358.416 -0.088 20 0 FBADRM COC(=O)[C@H]1CNC(=O)CN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000468659717 484689865 /nfs/dbraw/zinc/68/98/65/484689865.db2.gz PAXBMSOULVZYKL-LLVKDONJSA-N -1 0 362.317 -0.169 20 0 FBADRM COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000468659718 484689957 /nfs/dbraw/zinc/68/99/57/484689957.db2.gz PAXBMSOULVZYKL-NSHDSACASA-N -1 0 362.317 -0.169 20 0 FBADRM COC(=O)[C@H]1CNC(=O)CN1C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000468661760 484689891 /nfs/dbraw/zinc/68/98/91/484689891.db2.gz QYZYWFYMUJEVQX-CYBMUJFWSA-N -1 0 358.354 -0.412 20 0 FBADRM COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000468661761 484689973 /nfs/dbraw/zinc/68/99/73/484689973.db2.gz QYZYWFYMUJEVQX-ZDUSSCGKSA-N -1 0 358.354 -0.412 20 0 FBADRM COC(=O)[C@H]1CNC(=O)CN1C(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC000468665786 484691229 /nfs/dbraw/zinc/69/12/29/484691229.db2.gz DTMPFOGJJKRYQQ-GFCCVEGCSA-N -1 0 374.353 -0.300 20 0 FBADRM COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC000468665787 484691160 /nfs/dbraw/zinc/69/11/60/484691160.db2.gz DTMPFOGJJKRYQQ-LBPRGKRZSA-N -1 0 374.353 -0.300 20 0 FBADRM CNC(=O)C1CN(C(=O)c2ccc(-n3[n-]c(CC(=O)OC)cc3=O)cc2)C1 ZINC000468702607 484692423 /nfs/dbraw/zinc/69/24/23/484692423.db2.gz CNUBLDJESPRYSY-UHFFFAOYSA-N -1 0 372.381 -0.301 20 0 FBADRM CNC(=O)C1CN(C(=O)c2cc(NC(C)=O)ccc2[N-]S(C)(=O)=O)C1 ZINC000468703030 484692565 /nfs/dbraw/zinc/69/25/65/484692565.db2.gz HBPHCZHHEQQQSN-UHFFFAOYSA-N -1 0 368.415 -0.166 20 0 FBADRM CCOC(=O)CN(CC(N)=O)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000468742449 484693993 /nfs/dbraw/zinc/69/39/93/484693993.db2.gz HFGGJVOAZMMPAO-UHFFFAOYSA-N -1 0 363.330 -0.765 20 0 FBADRM COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(O)c(C(=O)OC)c2)cn1 ZINC000468773785 484294689 /nfs/dbraw/zinc/29/46/89/484294689.db2.gz BFPJGCMEFIKFKK-UHFFFAOYSA-N -1 0 367.339 0.556 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cnc(C(=O)OC)cn1 ZINC000468801294 484402308 /nfs/dbraw/zinc/40/23/08/484402308.db2.gz CRGUYAFIEHIZHH-UHFFFAOYSA-N -1 0 355.332 -0.036 20 0 FBADRM COC(=O)c1cnc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cn1 ZINC000468807025 484294876 /nfs/dbraw/zinc/29/48/76/484294876.db2.gz DBQWREJUBRFHME-UHFFFAOYSA-N -1 0 364.339 0.509 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2cnc(C(=O)OC)cn2)cn1C ZINC000468832504 484286158 /nfs/dbraw/zinc/28/61/58/484286158.db2.gz DNCFFALOFDCYIZ-UHFFFAOYSA-N -1 0 354.344 0.189 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2cnc(C(=O)OC)cn2)cn1C ZINC000468841293 484189706 /nfs/dbraw/zinc/18/97/06/484189706.db2.gz FVLMWPIERADUMF-UHFFFAOYSA-N -1 0 353.360 -0.238 20 0 FBADRM COC(=O)c1cnc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cn1 ZINC000468881969 484295355 /nfs/dbraw/zinc/29/53/55/484295355.db2.gz IDEMIZJPBWHOMZ-UHFFFAOYSA-N -1 0 362.367 0.350 20 0 FBADRM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1)c1ccn(C)n1 ZINC000468894270 484697272 /nfs/dbraw/zinc/69/72/72/484697272.db2.gz JOWCEFBGNAPINJ-LLVKDONJSA-N -1 0 355.376 -0.950 20 0 FBADRM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1)c1ccn(C)n1 ZINC000468894586 484698054 /nfs/dbraw/zinc/69/80/54/484698054.db2.gz JOWCEFBGNAPINJ-NSHDSACASA-N -1 0 355.376 -0.950 20 0 FBADRM COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)cn1 ZINC000468903313 484295469 /nfs/dbraw/zinc/29/54/69/484295469.db2.gz JHGFNPGAIFBQDK-UHFFFAOYSA-N -1 0 350.356 0.471 20 0 FBADRM COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)cn1 ZINC000468909131 484295375 /nfs/dbraw/zinc/29/53/75/484295375.db2.gz JTJOPSKKEGOJCT-UHFFFAOYSA-N -1 0 366.355 0.172 20 0 FBADRM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(N)=O)cc1)c1ccn(C)n1 ZINC000468920679 484697753 /nfs/dbraw/zinc/69/77/53/484697753.db2.gz KSAKACFEUHLENW-GFCCVEGCSA-N -1 0 352.372 -0.288 20 0 FBADRM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(N)=O)cc1)c1ccn(C)n1 ZINC000468920815 484697864 /nfs/dbraw/zinc/69/78/64/484697864.db2.gz KSAKACFEUHLENW-LBPRGKRZSA-N -1 0 352.372 -0.288 20 0 FBADRM COC(=O)c1cnc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cn1 ZINC000468929859 484295048 /nfs/dbraw/zinc/29/50/48/484295048.db2.gz LCDPLJWBOQOXMJ-UHFFFAOYSA-N -1 0 372.384 -0.289 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@H](CO)O1 ZINC000468936520 484699033 /nfs/dbraw/zinc/69/90/33/484699033.db2.gz KKIKYOYECMELRK-HTQZYQBOSA-N -1 0 356.360 -0.794 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@H](CO)O1 ZINC000468936814 484699367 /nfs/dbraw/zinc/69/93/67/484699367.db2.gz KKIKYOYECMELRK-JGVFFNPUSA-N -1 0 356.360 -0.794 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@@H](CO)O1 ZINC000468936916 484698806 /nfs/dbraw/zinc/69/88/06/484698806.db2.gz KKIKYOYECMELRK-SFYZADRCSA-N -1 0 356.360 -0.794 20 0 FBADRM COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cn1 ZINC000468937104 484294848 /nfs/dbraw/zinc/29/48/48/484294848.db2.gz LRVWQWIGFGHJNG-UHFFFAOYSA-N -1 0 361.343 0.040 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@@H](CO)O1 ZINC000468937184 484698816 /nfs/dbraw/zinc/69/88/16/484698816.db2.gz KKIKYOYECMELRK-YUMQZZPRSA-N -1 0 356.360 -0.794 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cnc(C(=O)OC)cn2)cc1 ZINC000468939556 484192465 /nfs/dbraw/zinc/19/24/65/484192465.db2.gz MMAQEOAHSUFDIB-UHFFFAOYSA-N -1 0 350.356 0.424 20 0 FBADRM O=C(N[C@H]1CCOC1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000468942489 484698639 /nfs/dbraw/zinc/69/86/39/484698639.db2.gz JSPFKBIAWMTGAT-JTQLQIEISA-N -1 0 374.385 -0.064 20 0 FBADRM O=C(N[C@@H]1CCOC1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000468942853 484699046 /nfs/dbraw/zinc/69/90/46/484699046.db2.gz JSPFKBIAWMTGAT-SNVBAGLBSA-N -1 0 374.385 -0.064 20 0 FBADRM COC(=O)c1cnc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cn1 ZINC000468949501 484294505 /nfs/dbraw/zinc/29/45/05/484294505.db2.gz MGVNWEBHSGCDBE-UHFFFAOYSA-N -1 0 371.396 0.468 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cnc(C(=O)OC)cn2)cn1 ZINC000468954138 484293696 /nfs/dbraw/zinc/29/36/96/484293696.db2.gz NHKXGOXCRHOFCJ-UHFFFAOYSA-N -1 0 352.328 0.246 20 0 FBADRM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C(N)=O)c1)c1ccn(C)n1 ZINC000469028123 484700585 /nfs/dbraw/zinc/70/05/85/484700585.db2.gz TZEYCHQZJHJFAH-GFCCVEGCSA-N -1 0 352.372 -0.288 20 0 FBADRM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C(N)=O)c1)c1ccn(C)n1 ZINC000469028213 484700577 /nfs/dbraw/zinc/70/05/77/484700577.db2.gz TZEYCHQZJHJFAH-LBPRGKRZSA-N -1 0 352.372 -0.288 20 0 FBADRM COC[C@@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C1 ZINC000469191538 484705762 /nfs/dbraw/zinc/70/57/62/484705762.db2.gz YUMLWGRAAAJFJD-LLVKDONJSA-N -1 0 373.431 -0.068 20 0 FBADRM COC[C@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C1 ZINC000469191701 484705516 /nfs/dbraw/zinc/70/55/16/484705516.db2.gz YUMLWGRAAAJFJD-NSHDSACASA-N -1 0 373.431 -0.068 20 0 FBADRM CCCCN(CCOC)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000469208455 484705324 /nfs/dbraw/zinc/70/53/24/484705324.db2.gz LHQGXPCMZJOBMQ-UHFFFAOYSA-N -1 0 361.420 -0.068 20 0 FBADRM COc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c1 ZINC000469221435 484705014 /nfs/dbraw/zinc/70/50/14/484705014.db2.gz XSMIWIPLLWQETA-UHFFFAOYSA-N -1 0 367.387 -0.334 20 0 FBADRM COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cn1 ZINC000469226001 484294929 /nfs/dbraw/zinc/29/49/29/484294929.db2.gz QDXQRBPCGSAIKI-UHFFFAOYSA-N -1 0 371.396 0.468 20 0 FBADRM CCCc1cc(NC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)n[nH]1 ZINC000469229145 484704861 /nfs/dbraw/zinc/70/48/61/484704861.db2.gz OAYXTXHGFSLCHO-UHFFFAOYSA-N -1 0 355.376 -0.029 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCc3n[nH]nc3C2)c1 ZINC000469256157 484706628 /nfs/dbraw/zinc/70/66/28/484706628.db2.gz MWKNWUFAMBLQPA-UHFFFAOYSA-N -1 0 351.388 -0.041 20 0 FBADRM Cc1cc(C(=O)NCCNC(=O)c2cnccn2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000469390483 484709536 /nfs/dbraw/zinc/70/95/36/484709536.db2.gz HNYYPDIBEXZLRE-UHFFFAOYSA-N -1 0 369.341 -0.306 20 0 FBADRM O=C(NC1(c2nnn[n-]2)CCCC1)c1cc(N2CCNC(=O)C2)ccn1 ZINC000469396609 484710308 /nfs/dbraw/zinc/71/03/08/484710308.db2.gz ZOAARVAMPPZRFA-UHFFFAOYSA-N -1 0 356.390 -0.270 20 0 FBADRM CC(C)(C)c1nc(=NC(=O)CN2CCN(S(C)(=O)=O)CC2)s[n-]1 ZINC000469474827 484711273 /nfs/dbraw/zinc/71/12/73/484711273.db2.gz RGOQCTOPPYFOKT-UHFFFAOYSA-N -1 0 361.493 -0.227 20 0 FBADRM CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000469526955 484712780 /nfs/dbraw/zinc/71/27/80/484712780.db2.gz IKTJJUILLQCHFW-LLVKDONJSA-N -1 0 372.447 -0.543 20 0 FBADRM CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000469526956 484713303 /nfs/dbraw/zinc/71/33/03/484713303.db2.gz IKTJJUILLQCHFW-NSHDSACASA-N -1 0 372.447 -0.543 20 0 FBADRM C[C@H](C(=O)Nc1nnc([N-]S(C)(=O)=O)s1)[C@@H](C)S(C)(=O)=O ZINC000469575415 484715142 /nfs/dbraw/zinc/71/51/42/484715142.db2.gz XHGFHWLFFASMQB-NTSWFWBYSA-N -1 0 356.451 -0.083 20 0 FBADRM C[C@H]([C@@H](C)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1)S(C)(=O)=O ZINC000469575416 484715027 /nfs/dbraw/zinc/71/50/27/484715027.db2.gz XHGFHWLFFASMQB-PHDIDXHHSA-N -1 0 356.451 -0.083 20 0 FBADRM C[C@@H](C(=O)Nc1nnc([N-]S(C)(=O)=O)s1)[C@H](C)S(C)(=O)=O ZINC000469575417 484714308 /nfs/dbraw/zinc/71/43/08/484714308.db2.gz XHGFHWLFFASMQB-RITPCOANSA-N -1 0 356.451 -0.083 20 0 FBADRM C[C@H](C(=O)Nc1nnc([N-]S(C)(=O)=O)s1)[C@H](C)S(C)(=O)=O ZINC000469575418 484714797 /nfs/dbraw/zinc/71/47/97/484714797.db2.gz XHGFHWLFFASMQB-WDSKDSINSA-N -1 0 356.451 -0.083 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NC3CN(C(C)=O)C3)cc2)[n-]1 ZINC000469736846 484719253 /nfs/dbraw/zinc/71/92/53/484719253.db2.gz NLJBIXXDSGPQPH-UHFFFAOYSA-N -1 0 372.381 -0.158 20 0 FBADRM C[C@H](c1nnnn1C)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000470001465 484727579 /nfs/dbraw/zinc/72/75/79/484727579.db2.gz XASKNZZOWDEZTQ-MRVPVSSYSA-N -1 0 371.389 -0.278 20 0 FBADRM C[C@@H](c1nnnn1C)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000470001476 484726781 /nfs/dbraw/zinc/72/67/81/484726781.db2.gz XASKNZZOWDEZTQ-QMMMGPOBSA-N -1 0 371.389 -0.278 20 0 FBADRM Cc1c(S(=O)(=O)NCCc2nc(=O)o[n-]2)cnn1-c1ccccn1 ZINC000470251821 484734463 /nfs/dbraw/zinc/73/44/63/484734463.db2.gz GENPVUMCVQUMKJ-UHFFFAOYSA-N -1 0 350.360 -0.227 20 0 FBADRM O=c1nc(CCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)[n-]o1 ZINC000470252716 484733819 /nfs/dbraw/zinc/73/38/19/484733819.db2.gz UPTJEMOWTXLHTM-UHFFFAOYSA-N -1 0 353.316 -0.762 20 0 FBADRM COCCN(C(=O)CNS(=O)(=O)c1cn(C)c(C)n1)[C@@H]1CCOC1 ZINC000470577955 484743375 /nfs/dbraw/zinc/74/33/75/484743375.db2.gz ZACJKHHGMMZACU-GFCCVEGCSA-N -1 0 360.436 -0.729 20 0 FBADRM COCCN(C(=O)CNS(=O)(=O)c1cn(C)c(C)n1)[C@H]1CCOC1 ZINC000470577956 484742483 /nfs/dbraw/zinc/74/24/83/484742483.db2.gz ZACJKHHGMMZACU-LBPRGKRZSA-N -1 0 360.436 -0.729 20 0 FBADRM COC(=O)CC[C@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)OC ZINC000470684864 484746139 /nfs/dbraw/zinc/74/61/39/484746139.db2.gz WFLWUJZOOGPDAG-VIFPVBQESA-N -1 0 364.314 -0.339 20 0 FBADRM COC(=O)[C@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)c1ccn(C)n1 ZINC000470761321 484748181 /nfs/dbraw/zinc/74/81/81/484748181.db2.gz WLWPQOLDUNVWJB-SNVBAGLBSA-N -1 0 358.314 -0.186 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)NC2(c3nnn[n-]3)CC2)ccc1OC ZINC000470969889 484756126 /nfs/dbraw/zinc/75/61/26/484756126.db2.gz DHMGKTPEAMNYOZ-UHFFFAOYSA-N -1 0 352.376 -0.465 20 0 FBADRM O=C(Cn1cc(Br)c(=O)[nH]c1=O)NC1(c2nnn[n-]2)CC1 ZINC000470974640 484756160 /nfs/dbraw/zinc/75/61/60/484756160.db2.gz JOMAZVJJUDNRFD-UHFFFAOYSA-N -1 0 356.140 -0.970 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)NC2(c3nnn[n-]3)CC2)cc1 ZINC000470975329 484755987 /nfs/dbraw/zinc/75/59/87/484755987.db2.gz KQQNIXJZCBKGNL-UHFFFAOYSA-N -1 0 366.403 -0.457 20 0 FBADRM O=C(CNC(=O)c1cnc2ccccc2c1O)NC1(c2nnn[n-]2)CC1 ZINC000470975643 484756050 /nfs/dbraw/zinc/75/60/50/484756050.db2.gz HXOYWWQKSNLCTI-UHFFFAOYSA-N -1 0 353.342 -0.424 20 0 FBADRM CNS(=O)(=O)c1ccc(CCC(=O)NC2(c3nnn[n-]3)CC2)cc1 ZINC000470976494 484755389 /nfs/dbraw/zinc/75/53/89/484755389.db2.gz LGNAFEQIVWHPAY-UHFFFAOYSA-N -1 0 350.404 -0.154 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000470981193 484756285 /nfs/dbraw/zinc/75/62/85/484756285.db2.gz FCJUXQOYNIDIRM-UHFFFAOYSA-N -1 0 366.403 -0.457 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)c1 ZINC000471110889 484758071 /nfs/dbraw/zinc/75/80/71/484758071.db2.gz WXGMITBUTQRLKE-UHFFFAOYSA-N -1 0 372.428 -0.037 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c1 ZINC000471113506 484759001 /nfs/dbraw/zinc/75/90/01/484759001.db2.gz AJVSJROSWXQCLV-UHFFFAOYSA-N -1 0 372.428 -0.037 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)CNC(=O)c2cccc(O)c2)s1 ZINC000471373890 484762954 /nfs/dbraw/zinc/76/29/54/484762954.db2.gz UGHCLRAWBAXNDR-UHFFFAOYSA-N -1 0 371.400 -0.016 20 0 FBADRM COc1ccc(C(=O)CNC(=O)CCC(=O)NC[C@](C)(O)C(=O)[O-])cc1 ZINC000471439274 484762361 /nfs/dbraw/zinc/76/23/61/484762361.db2.gz GRXHUQGTNKPUIU-KRWDZBQOSA-N -1 0 366.370 -0.274 20 0 FBADRM COc1ccc(C(=O)CNC(=O)CCC(=O)NC[C@@](C)(O)C(=O)[O-])cc1 ZINC000471439275 484762251 /nfs/dbraw/zinc/76/22/51/484762251.db2.gz GRXHUQGTNKPUIU-QGZVFWFLSA-N -1 0 366.370 -0.274 20 0 FBADRM Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@](C)(O)C(=O)[O-])cc1C ZINC000471447049 484762547 /nfs/dbraw/zinc/76/25/47/484762547.db2.gz ODVZYQPWAPBNSK-HNNXBMFYSA-N -1 0 358.416 -0.124 20 0 FBADRM Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@](C)(O)C(=O)[O-])cc1C ZINC000471447050 484762796 /nfs/dbraw/zinc/76/27/96/484762796.db2.gz ODVZYQPWAPBNSK-OAHLLOKOSA-N -1 0 358.416 -0.124 20 0 FBADRM C[C@@](O)(CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000471450840 484762912 /nfs/dbraw/zinc/76/29/12/484762912.db2.gz QLJDETYBPGXBSH-CYBMUJFWSA-N -1 0 366.342 -0.415 20 0 FBADRM C[C@](O)(CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000471450851 484763009 /nfs/dbraw/zinc/76/30/09/484763009.db2.gz QLJDETYBPGXBSH-ZDUSSCGKSA-N -1 0 366.342 -0.415 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCn3ncnc3C2)cc2c1OCCO2 ZINC000471453860 484764107 /nfs/dbraw/zinc/76/41/07/484764107.db2.gz ZOPNUOLPALIUQV-UHFFFAOYSA-N -1 0 366.355 -0.048 20 0 FBADRM C[C@H]1Cc2cc(C(=O)NC[C@@](C)(O)C(=O)[O-])ccc2N1S(C)(=O)=O ZINC000471454356 484764160 /nfs/dbraw/zinc/76/41/60/484764160.db2.gz BYXLOFIKNSMXMX-BJOHPYRUSA-N -1 0 356.400 -0.037 20 0 FBADRM C[C@@H]1Cc2cc(C(=O)NC[C@](C)(O)C(=O)[O-])ccc2N1S(C)(=O)=O ZINC000471454357 484764340 /nfs/dbraw/zinc/76/43/40/484764340.db2.gz BYXLOFIKNSMXMX-PSLIRLAXSA-N -1 0 356.400 -0.037 20 0 FBADRM C[C@@H]1Cc2cc(C(=O)NC[C@@](C)(O)C(=O)[O-])ccc2N1S(C)(=O)=O ZINC000471454358 484764139 /nfs/dbraw/zinc/76/41/39/484764139.db2.gz BYXLOFIKNSMXMX-RFAUZJTJSA-N -1 0 356.400 -0.037 20 0 FBADRM C[C@H]1Cc2cc(C(=O)NC[C@](C)(O)C(=O)[O-])ccc2N1S(C)(=O)=O ZINC000471454359 484763771 /nfs/dbraw/zinc/76/37/71/484763771.db2.gz BYXLOFIKNSMXMX-VFZGTOFNSA-N -1 0 356.400 -0.037 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)N2CCn3ncnc3C2)cc1 ZINC000471454781 484764450 /nfs/dbraw/zinc/76/44/50/484764450.db2.gz IDJGWCGUZPAMJT-UHFFFAOYSA-N -1 0 365.371 -0.703 20 0 FBADRM C[C@@H](C(=O)NC[C@](C)(O)C(=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000471459176 484764267 /nfs/dbraw/zinc/76/42/67/484764267.db2.gz NXJFMEHZQRVDTK-BMIGLBTASA-N -1 0 358.416 -0.008 20 0 FBADRM C[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000471459177 484764226 /nfs/dbraw/zinc/76/42/26/484764226.db2.gz NXJFMEHZQRVDTK-BONVTDFDSA-N -1 0 358.416 -0.008 20 0 FBADRM C[C@@H](C(=O)NC[C@@](C)(O)C(=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000471459178 484764001 /nfs/dbraw/zinc/76/40/01/484764001.db2.gz NXJFMEHZQRVDTK-MEBBXXQBSA-N -1 0 358.416 -0.008 20 0 FBADRM C[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000471459179 484763670 /nfs/dbraw/zinc/76/36/70/484763670.db2.gz NXJFMEHZQRVDTK-ZUZCIYMTSA-N -1 0 358.416 -0.008 20 0 FBADRM COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000471464017 484763625 /nfs/dbraw/zinc/76/36/25/484763625.db2.gz DJFSQRUVKYSHGW-CYBMUJFWSA-N -1 0 355.738 -0.110 20 0 FBADRM COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000471464018 484763906 /nfs/dbraw/zinc/76/39/06/484763906.db2.gz DJFSQRUVKYSHGW-ZDUSSCGKSA-N -1 0 355.738 -0.110 20 0 FBADRM CSC[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000471468471 484764319 /nfs/dbraw/zinc/76/43/19/484764319.db2.gz VVHAYLZQIPVGRX-DJQAVVSRSA-N -1 0 372.443 -0.155 20 0 FBADRM CSC[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000471468472 484763537 /nfs/dbraw/zinc/76/35/37/484763537.db2.gz VVHAYLZQIPVGRX-IDYSPNNHSA-N -1 0 372.443 -0.155 20 0 FBADRM CSC[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000471468473 484764303 /nfs/dbraw/zinc/76/43/03/484764303.db2.gz VVHAYLZQIPVGRX-IIHVQRNFSA-N -1 0 372.443 -0.155 20 0 FBADRM CSC[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000471468474 484763878 /nfs/dbraw/zinc/76/38/78/484763878.db2.gz VVHAYLZQIPVGRX-ZAQLIGFBSA-N -1 0 372.443 -0.155 20 0 FBADRM CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@](C)(O)C(=O)[O-])cnc21 ZINC000471468941 484763927 /nfs/dbraw/zinc/76/39/27/484763927.db2.gz AOWNMSCAFOYCOG-HNNXBMFYSA-N -1 0 350.331 -0.528 20 0 FBADRM CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@@](C)(O)C(=O)[O-])cnc21 ZINC000471468942 484764438 /nfs/dbraw/zinc/76/44/38/484764438.db2.gz AOWNMSCAFOYCOG-OAHLLOKOSA-N -1 0 350.331 -0.528 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@](C)(O)C(=O)[O-])cc1C ZINC000471469685 484763764 /nfs/dbraw/zinc/76/37/64/484763764.db2.gz DUKOKRXRYFSHGE-HNNXBMFYSA-N -1 0 358.416 -0.076 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@@](C)(O)C(=O)[O-])cc1C ZINC000471469686 484763721 /nfs/dbraw/zinc/76/37/21/484763721.db2.gz DUKOKRXRYFSHGE-OAHLLOKOSA-N -1 0 358.416 -0.076 20 0 FBADRM Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC000471473256 484763800 /nfs/dbraw/zinc/76/38/00/484763800.db2.gz UDPKWTJITNUPHS-HNNXBMFYSA-N -1 0 358.416 -0.076 20 0 FBADRM Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC000471473257 484764430 /nfs/dbraw/zinc/76/44/30/484764430.db2.gz UDPKWTJITNUPHS-OAHLLOKOSA-N -1 0 358.416 -0.076 20 0 FBADRM C[C@@](O)(CNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)C(=O)[O-] ZINC000471478527 484763584 /nfs/dbraw/zinc/76/35/84/484763584.db2.gz BMGCHGISBBOOQX-CYBMUJFWSA-N -1 0 364.807 -0.040 20 0 FBADRM C[C@](O)(CNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)C(=O)[O-] ZINC000471478528 484764175 /nfs/dbraw/zinc/76/41/75/484764175.db2.gz BMGCHGISBBOOQX-ZDUSSCGKSA-N -1 0 364.807 -0.040 20 0 FBADRM Cc1n[n-]c(=NC(=O)N2CCO[C@@H](CNc3nccn(C)c3=O)C2)s1 ZINC000471503371 484763701 /nfs/dbraw/zinc/76/37/01/484763701.db2.gz GMXSLJIHKSBPPC-JTQLQIEISA-N -1 0 365.419 -0.871 20 0 FBADRM Cc1n[n-]c(=NC(=O)N2CCO[C@H](CNc3nccn(C)c3=O)C2)s1 ZINC000471503372 484764473 /nfs/dbraw/zinc/76/44/73/484764473.db2.gz GMXSLJIHKSBPPC-SNVBAGLBSA-N -1 0 365.419 -0.871 20 0 FBADRM COC(=O)CCc1nnc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)s1 ZINC000471518197 484765482 /nfs/dbraw/zinc/76/54/82/484765482.db2.gz NQDQULGWUMMFGO-UHFFFAOYSA-N -1 0 373.416 -0.118 20 0 FBADRM CC(=O)N1CC[C@@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000471895735 484771527 /nfs/dbraw/zinc/77/15/27/484771527.db2.gz MRMPCKGKMYUJGE-MRVPVSSYSA-N -1 0 353.360 -0.665 20 0 FBADRM CC(=O)N1CC[C@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000471895736 484770933 /nfs/dbraw/zinc/77/09/33/484770933.db2.gz MRMPCKGKMYUJGE-QMMMGPOBSA-N -1 0 353.360 -0.665 20 0 FBADRM CCn1nccc1S(=O)(=O)[N-]c1ccc(C(=O)NCC(N)=O)cc1 ZINC000471931112 484770767 /nfs/dbraw/zinc/77/07/67/484770767.db2.gz RKZNDISGJNEAGH-UHFFFAOYSA-N -1 0 351.388 -0.081 20 0 FBADRM CCn1nccc1S(=O)(=O)[N-]c1cccc(C(=O)NCC(N)=O)c1 ZINC000471939156 484772955 /nfs/dbraw/zinc/77/29/55/484772955.db2.gz IPNRNJZIWFHJSV-UHFFFAOYSA-N -1 0 351.388 -0.081 20 0 FBADRM C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000472269089 484776943 /nfs/dbraw/zinc/77/69/43/484776943.db2.gz LYMXGPQDWQOZOY-GFCCVEGCSA-N -1 0 361.280 -0.242 20 0 FBADRM C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000472269090 484776525 /nfs/dbraw/zinc/77/65/25/484776525.db2.gz LYMXGPQDWQOZOY-LBPRGKRZSA-N -1 0 361.280 -0.242 20 0 FBADRM C[C@H](CN(C)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1)c1nnn[n-]1 ZINC000472500974 484778926 /nfs/dbraw/zinc/77/89/26/484778926.db2.gz OQUWXDXCKANKIN-JIMOISOXSA-N -1 0 362.394 -0.906 20 0 FBADRM C[C@@H](CN(C)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1)c1nnn[n-]1 ZINC000472500988 484779524 /nfs/dbraw/zinc/77/95/24/484779524.db2.gz OQUWXDXCKANKIN-TVYUQYBPSA-N -1 0 362.394 -0.906 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]Cc1nnnn1CC1CC1 ZINC000472708509 484782863 /nfs/dbraw/zinc/78/28/63/484782863.db2.gz MSMPZDMKNZOGSD-UHFFFAOYSA-N -1 0 358.405 -0.195 20 0 FBADRM COc1cc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)cc(-n2cccn2)c1 ZINC000472727314 484784260 /nfs/dbraw/zinc/78/42/60/484784260.db2.gz LUKJXIRCZFBBFX-UHFFFAOYSA-N -1 0 357.330 -0.041 20 0 FBADRM CS(=O)(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)Cc2cccnc2)CCO1 ZINC000473025033 484789256 /nfs/dbraw/zinc/78/92/56/484789256.db2.gz ROTASYTWQKQSPT-CYBMUJFWSA-N -1 0 371.415 -0.802 20 0 FBADRM CS(=O)(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)Cc2cccnc2)CCO1 ZINC000473025034 484789068 /nfs/dbraw/zinc/78/90/68/484789068.db2.gz ROTASYTWQKQSPT-ZDUSSCGKSA-N -1 0 371.415 -0.802 20 0 FBADRM C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000473187026 484791297 /nfs/dbraw/zinc/79/12/97/484791297.db2.gz QCGKGKGVWYIMSC-GFCCVEGCSA-N -1 0 372.307 -0.063 20 0 FBADRM C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000473187033 484792182 /nfs/dbraw/zinc/79/21/82/484792182.db2.gz QCGKGKGVWYIMSC-LBPRGKRZSA-N -1 0 372.307 -0.063 20 0 FBADRM NC(=O)c1cnn2c1nccc2C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000473241615 484793645 /nfs/dbraw/zinc/79/36/45/484793645.db2.gz SLOHHAAKMSDVRX-UHFFFAOYSA-N -1 0 365.313 -0.238 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)CC1 ZINC000473246149 658907809 /nfs/dbraw/zinc/90/78/09/658907809.db2.gz UAMDWRAZRWQKTD-UHFFFAOYSA-N -1 0 366.403 -0.022 20 0 FBADRM O=C(Cn1nc2ccccn2c1=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000473246816 484792710 /nfs/dbraw/zinc/79/27/10/484792710.db2.gz VOAWVLNSBGBQIU-UHFFFAOYSA-N -1 0 352.314 -0.184 20 0 FBADRM CN(CC(=O)NCCN1c2ccccc2[N-]S1(=O)=O)S(C)(=O)=O ZINC000473255128 484794899 /nfs/dbraw/zinc/79/48/99/484794899.db2.gz OODYMPAYXNNFHF-UHFFFAOYSA-N -1 0 362.433 -0.829 20 0 FBADRM O=C(NCCN1c2ccccc2[N-]S1(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000473263798 484794301 /nfs/dbraw/zinc/79/43/01/484794301.db2.gz MPBDFRVXRDZBQL-JTQLQIEISA-N -1 0 359.429 -0.286 20 0 FBADRM O=C(NCCN1c2ccccc2[N-]S1(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000473263799 484794517 /nfs/dbraw/zinc/79/45/17/484794517.db2.gz MPBDFRVXRDZBQL-SNVBAGLBSA-N -1 0 359.429 -0.286 20 0 FBADRM O=C(CCN1C(=O)CCC1=O)NCCN1c2ccccc2[N-]S1(=O)=O ZINC000473272001 484794670 /nfs/dbraw/zinc/79/46/70/484794670.db2.gz MBSZNFOPBDBRAE-UHFFFAOYSA-N -1 0 366.399 -0.181 20 0 FBADRM O=C(CN1CSCC1=O)NCCN1c2ccccc2[N-]S1(=O)=O ZINC000473280343 484795015 /nfs/dbraw/zinc/79/50/15/484795015.db2.gz ITUSTNNTUKWHEH-UHFFFAOYSA-N -1 0 356.429 -0.188 20 0 FBADRM CC(C)(C)c1nc(=NC(=O)C(=O)NCc2nnnn2CC2CC2)s[n-]1 ZINC000473354494 484796678 /nfs/dbraw/zinc/79/66/78/484796678.db2.gz ZZWPJTXLKOXWMT-UHFFFAOYSA-N -1 0 364.435 -0.091 20 0 FBADRM O=C(CCNS(=O)(=O)c1ccc(F)cc1)NC1(c2nnn[n-]2)CC1 ZINC000473371996 484798161 /nfs/dbraw/zinc/79/81/61/484798161.db2.gz WCBUZZRZLHNGRA-UHFFFAOYSA-N -1 0 354.367 -0.187 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000473374474 484798217 /nfs/dbraw/zinc/79/82/17/484798217.db2.gz TXJITZZXPSWPMB-QMMMGPOBSA-N -1 0 354.367 -0.189 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2(c3nnn[n-]3)CC2)cc1 ZINC000473379098 484798774 /nfs/dbraw/zinc/79/87/74/484798774.db2.gz KFFBYQIPEQIROZ-VIFPVBQESA-N -1 0 366.403 -0.319 20 0 FBADRM COc1ccc(C(=O)NC2(c3nnn[n-]3)CC2)cc1S(=O)(=O)N(C)C ZINC000473380293 484798019 /nfs/dbraw/zinc/79/80/19/484798019.db2.gz SDGHBPUENQMADC-UHFFFAOYSA-N -1 0 366.403 -0.122 20 0 FBADRM O=C([O-])C1(CC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CCC1 ZINC000473407122 484798753 /nfs/dbraw/zinc/79/87/53/484798753.db2.gz NHFVRVMTNWDEDO-UHFFFAOYSA-N -1 0 351.403 -0.075 20 0 FBADRM COCCS(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000473447128 484799941 /nfs/dbraw/zinc/79/99/41/484799941.db2.gz HBIBCPOZYOQLHT-CHWSQXEVSA-N -1 0 356.400 -0.021 20 0 FBADRM COCCS(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000473447133 484799320 /nfs/dbraw/zinc/79/93/20/484799320.db2.gz HBIBCPOZYOQLHT-OLZOCXBDSA-N -1 0 356.400 -0.021 20 0 FBADRM COCCS(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000473447135 484799628 /nfs/dbraw/zinc/79/96/28/484799628.db2.gz HBIBCPOZYOQLHT-QWHCGFSZSA-N -1 0 356.400 -0.021 20 0 FBADRM COCCS(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000473447136 484799638 /nfs/dbraw/zinc/79/96/38/484799638.db2.gz HBIBCPOZYOQLHT-STQMWFEESA-N -1 0 356.400 -0.021 20 0 FBADRM COc1nn(C)cc1[N-]S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000473477910 484800064 /nfs/dbraw/zinc/80/00/64/484800064.db2.gz JSDCTXCBOHZNTK-UHFFFAOYSA-N -1 0 366.359 -0.423 20 0 FBADRM COCCC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000473488902 484800240 /nfs/dbraw/zinc/80/02/40/484800240.db2.gz LKKQZTACTUCGRI-UHFFFAOYSA-N -1 0 359.404 -0.407 20 0 FBADRM CS(=O)(=O)CC(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000473724518 484803704 /nfs/dbraw/zinc/80/37/04/484803704.db2.gz PKPXJTMITGKFNO-AAEUAGOBSA-N -1 0 354.384 -0.426 20 0 FBADRM CS(=O)(=O)CC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000473724521 484803792 /nfs/dbraw/zinc/80/37/92/484803792.db2.gz PKPXJTMITGKFNO-DGCLKSJQSA-N -1 0 354.384 -0.426 20 0 FBADRM CS(=O)(=O)CC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000473724523 484803346 /nfs/dbraw/zinc/80/33/46/484803346.db2.gz PKPXJTMITGKFNO-WCQYABFASA-N -1 0 354.384 -0.426 20 0 FBADRM CS(=O)(=O)CC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000473724524 484803443 /nfs/dbraw/zinc/80/34/43/484803443.db2.gz PKPXJTMITGKFNO-YPMHNXCESA-N -1 0 354.384 -0.426 20 0 FBADRM COC(=O)CCCc1n[n-]c(=NC(=O)NCCc2nc(N)no2)s1 ZINC000473831919 484524097 /nfs/dbraw/zinc/52/40/97/484524097.db2.gz UQHSJTWECLNAKI-UHFFFAOYSA-N -1 0 355.380 -0.215 20 0 FBADRM CCCC[C@H](NC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000473956729 484807612 /nfs/dbraw/zinc/80/76/12/484807612.db2.gz ABTOQLHLDWDQPP-NSHDSACASA-N -1 0 350.375 -0.202 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)NC2(c3nnn[n-]3)CCCC2)cn1 ZINC000474132405 484811292 /nfs/dbraw/zinc/81/12/92/484811292.db2.gz LRSMTBJROVDHQQ-UHFFFAOYSA-N -1 0 351.392 -0.298 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)OC)cn1 ZINC000474350216 484817185 /nfs/dbraw/zinc/81/71/85/484817185.db2.gz BQAPQBDMZQNKOU-NSHDSACASA-N -1 0 367.387 -0.773 20 0 FBADRM C[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)c1ncnn1C ZINC000474369551 484817118 /nfs/dbraw/zinc/81/71/18/484817118.db2.gz BFKHSACIFYXZKZ-LURJTMIESA-N -1 0 351.348 -0.396 20 0 FBADRM C[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)c1ncnn1C ZINC000474369559 484817669 /nfs/dbraw/zinc/81/76/69/484817669.db2.gz BFKHSACIFYXZKZ-ZCFIWIBFSA-N -1 0 351.348 -0.396 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cnc(OC)c(C(N)=O)c2)cn1 ZINC000474386552 484817259 /nfs/dbraw/zinc/81/72/59/484817259.db2.gz DDALNVNYNYLYTJ-UHFFFAOYSA-N -1 0 369.359 -0.641 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cnc(OC)c(C(N)=O)c1 ZINC000474388479 484817554 /nfs/dbraw/zinc/81/75/54/484817554.db2.gz FUFXSAUXAWBQLK-UHFFFAOYSA-N -1 0 369.359 -0.110 20 0 FBADRM COc1ncc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1C(N)=O ZINC000474392756 484817594 /nfs/dbraw/zinc/81/75/94/484817594.db2.gz ODTIFONQOZVINH-UHFFFAOYSA-N -1 0 353.360 -0.573 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2cnc(OC)c(C(N)=O)c2)cn1C ZINC000474407455 484818706 /nfs/dbraw/zinc/81/87/06/484818706.db2.gz DQIZEWJUSKXFIW-UHFFFAOYSA-N -1 0 367.387 -0.312 20 0 FBADRM COCc1n[n-]c(S(=O)(=O)CC(=O)N2CCO[C@@H]3CCCC[C@H]32)n1 ZINC000474439479 484819413 /nfs/dbraw/zinc/81/94/13/484819413.db2.gz NJUZQWSMOKUSMS-GHMZBOCLSA-N -1 0 358.420 -0.105 20 0 FBADRM COCc1n[n-]c(S(=O)(=O)CC(=O)N2CCO[C@H]3CCCC[C@H]32)n1 ZINC000474439481 484818980 /nfs/dbraw/zinc/81/89/80/484818980.db2.gz NJUZQWSMOKUSMS-MNOVXSKESA-N -1 0 358.420 -0.105 20 0 FBADRM COCc1n[n-]c(S(=O)(=O)CC(=O)N2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000474439483 484819230 /nfs/dbraw/zinc/81/92/30/484819230.db2.gz NJUZQWSMOKUSMS-QWRGUYRKSA-N -1 0 358.420 -0.105 20 0 FBADRM COCc1n[n-]c(S(=O)(=O)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000474439484 484819189 /nfs/dbraw/zinc/81/91/89/484819189.db2.gz NJUZQWSMOKUSMS-WDEREUQCSA-N -1 0 358.420 -0.105 20 0 FBADRM COCc1n[n-]c(S(=O)(=O)CC(=O)NCc2ccc3c(c2)OCO3)n1 ZINC000474454881 484819500 /nfs/dbraw/zinc/81/95/00/484819500.db2.gz QLPBMPRTORFCCV-UHFFFAOYSA-N -1 0 368.371 -0.230 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)c1C(N)=O ZINC000474581039 484821262 /nfs/dbraw/zinc/82/12/62/484821262.db2.gz MTLUQQUESXMMAB-UHFFFAOYSA-N -1 0 358.401 -0.277 20 0 FBADRM COc1ccc([N-]S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)nn1 ZINC000474593879 484823431 /nfs/dbraw/zinc/82/34/31/484823431.db2.gz LGUJBSAKWBHGMV-UHFFFAOYSA-N -1 0 364.343 -0.367 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCn3ncnc3C2)c1 ZINC000474837421 484829463 /nfs/dbraw/zinc/82/94/63/484829463.db2.gz PQQGRHQLEMQJST-UHFFFAOYSA-N -1 0 351.388 -0.110 20 0 FBADRM COc1ccccc1C(=O)NCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000474877093 484832732 /nfs/dbraw/zinc/83/27/32/484832732.db2.gz XWHBNUJEOJXCOT-UHFFFAOYSA-N -1 0 353.360 -0.415 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)cn1 ZINC000474899379 484832409 /nfs/dbraw/zinc/83/24/09/484832409.db2.gz BKBOAJHMZMYQEQ-UHFFFAOYSA-N -1 0 354.392 -0.482 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(SCCO)n2)cn1 ZINC000474922447 484832097 /nfs/dbraw/zinc/83/20/97/484832097.db2.gz OHCGBXGWHHHXIZ-UHFFFAOYSA-N -1 0 372.432 -0.213 20 0 FBADRM CC(C)(NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)c1nnn[n-]1 ZINC000474998729 484835108 /nfs/dbraw/zinc/83/51/08/484835108.db2.gz DROSGAZQXVZIFM-GFCCVEGCSA-N -1 0 365.438 -0.736 20 0 FBADRM CC(C)(NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)c1nnn[n-]1 ZINC000474998730 484835225 /nfs/dbraw/zinc/83/52/25/484835225.db2.gz DROSGAZQXVZIFM-LBPRGKRZSA-N -1 0 365.438 -0.736 20 0 FBADRM CC(C)(NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)c1nnn[n-]1 ZINC000474999746 484834644 /nfs/dbraw/zinc/83/46/44/484834644.db2.gz IARBVJORSGBHGU-UHFFFAOYSA-N -1 0 358.156 -0.724 20 0 FBADRM Cc1cc(C(=O)NC(C)(C)c2nnn[n-]2)nc2c1c(=O)n(C)c(=O)n2C ZINC000475002930 484834930 /nfs/dbraw/zinc/83/49/30/484834930.db2.gz UHKQJWCTKKEXSF-UHFFFAOYSA-N -1 0 358.362 -0.881 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC(C)(C)c1nnn[n-]1 ZINC000475005210 484834734 /nfs/dbraw/zinc/83/47/34/484834734.db2.gz WTZVCGNRVTYUSK-MRVPVSSYSA-N -1 0 370.439 -0.732 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC(C)(C)c1nnn[n-]1 ZINC000475005216 484835434 /nfs/dbraw/zinc/83/54/34/484835434.db2.gz WTZVCGNRVTYUSK-QMMMGPOBSA-N -1 0 370.439 -0.732 20 0 FBADRM CC(=O)NCC(=O)N1CCc2cc(C(=O)NC(C)(C)c3nnn[n-]3)ccc21 ZINC000475007095 484835452 /nfs/dbraw/zinc/83/54/52/484835452.db2.gz HEMINGIKWDPUJR-UHFFFAOYSA-N -1 0 371.401 -0.110 20 0 FBADRM CC(C)(NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)c1nnn[n-]1 ZINC000475008579 484834596 /nfs/dbraw/zinc/83/45/96/484834596.db2.gz VBRDLSFRUOWVQE-UHFFFAOYSA-N -1 0 369.385 -0.377 20 0 FBADRM CC(C)(NC(=O)CSc1nnnn1CC(F)(F)F)c1nnn[n-]1 ZINC000475009157 484835481 /nfs/dbraw/zinc/83/54/81/484835481.db2.gz OCRXKXJDUOOREL-UHFFFAOYSA-N -1 0 351.318 -0.108 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(C)(C)c2nnn[n-]2)cc1 ZINC000475011618 484835178 /nfs/dbraw/zinc/83/51/78/484835178.db2.gz YSZHZZZOAPAPRO-VIFPVBQESA-N -1 0 368.419 -0.073 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)NC(C)(C)c2nnn[n-]2)c1 ZINC000475016481 484834714 /nfs/dbraw/zinc/83/47/14/484834714.db2.gz MQZPNGJWYZDLTA-UHFFFAOYSA-N -1 0 357.396 -0.882 20 0 FBADRM Cc1nc(C(=O)NC(C)(C)c2nnn[n-]2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000475019748 484834874 /nfs/dbraw/zinc/83/48/74/484834874.db2.gz WCVNFMIAFOPLKS-UHFFFAOYSA-N -1 0 371.287 -0.109 20 0 FBADRM CC(C)(NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)c1nnn[n-]1 ZINC000475020253 484835018 /nfs/dbraw/zinc/83/50/18/484835018.db2.gz WRMBYTXHGVOPNE-UHFFFAOYSA-N -1 0 369.407 -0.786 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)C2(S(C)(=O)=O)CCC2)s1 ZINC000475124115 484837872 /nfs/dbraw/zinc/83/78/72/484837872.db2.gz ZQVGIVYTPJOGPX-UHFFFAOYSA-N -1 0 354.435 -0.185 20 0 FBADRM COC(=O)CN1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CC1 ZINC000475306363 484843478 /nfs/dbraw/zinc/84/34/78/484843478.db2.gz RSHCXZOAXHCAAW-UHFFFAOYSA-N -1 0 352.416 -0.201 20 0 FBADRM NC(=O)CC1(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCC1 ZINC000475413031 484845323 /nfs/dbraw/zinc/84/53/23/484845323.db2.gz PRUSJSCAUNAKOM-UHFFFAOYSA-N -1 0 353.360 -0.488 20 0 FBADRM COC(=O)C[C@H]([N-]S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)OC)C(=O)OC ZINC000475567420 484849325 /nfs/dbraw/zinc/84/93/25/484849325.db2.gz RDLPOIGJCNIEEI-DCAQKATOSA-N -1 0 365.404 -0.258 20 0 FBADRM COC(=O)C[C@H]([N-]S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)OC)C(=O)OC ZINC000475567424 484848717 /nfs/dbraw/zinc/84/87/17/484848717.db2.gz RDLPOIGJCNIEEI-GARJFASQSA-N -1 0 365.404 -0.258 20 0 FBADRM COC(=O)C[C@H]([N-]S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)OC)C(=O)OC ZINC000475567425 484848779 /nfs/dbraw/zinc/84/87/79/484848779.db2.gz RDLPOIGJCNIEEI-OUAUKWLOSA-N -1 0 365.404 -0.258 20 0 FBADRM COC(=O)C[C@H]([N-]S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)OC)C(=O)OC ZINC000475567426 484848883 /nfs/dbraw/zinc/84/88/83/484848883.db2.gz RDLPOIGJCNIEEI-VWYCJHECSA-N -1 0 365.404 -0.258 20 0 FBADRM COc1cc(C(=O)N=c2nc[nH]n2C)cc([N-]S(C)(=O)=O)c1OC ZINC000475640200 484850418 /nfs/dbraw/zinc/85/04/18/484850418.db2.gz HJIIEZUYFGLUNF-UHFFFAOYSA-N -1 0 355.376 -0.122 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)cn1 ZINC000475785548 484854587 /nfs/dbraw/zinc/85/45/87/484854587.db2.gz FJZKBGLEUNIRAN-UHFFFAOYSA-N -1 0 373.416 -0.772 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)nc2)cn1 ZINC000475807806 484854134 /nfs/dbraw/zinc/85/41/34/484854134.db2.gz JNAXMHPMSGFEKK-UHFFFAOYSA-N -1 0 356.385 -0.220 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)cn1 ZINC000475817510 484854498 /nfs/dbraw/zinc/85/44/98/484854498.db2.gz ZWULROBMBCSOLL-UHFFFAOYSA-N -1 0 373.416 -0.642 20 0 FBADRM COC(=O)Cn1ncc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1C ZINC000475821494 484854744 /nfs/dbraw/zinc/85/47/44/484854744.db2.gz ZATGJEKKRRBCLC-UHFFFAOYSA-N -1 0 355.376 -0.397 20 0 FBADRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)c1C(N)=O ZINC000475822009 484854107 /nfs/dbraw/zinc/85/41/07/484854107.db2.gz QLIKCOYMKFHEMT-UHFFFAOYSA-N -1 0 359.389 -0.584 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)OC)c2C)cn1 ZINC000475827353 484854194 /nfs/dbraw/zinc/85/41/94/484854194.db2.gz FPIOABMGXYEJIC-UHFFFAOYSA-N -1 0 371.375 -0.465 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(=O)OC)c2C)cn1C ZINC000475828823 484855489 /nfs/dbraw/zinc/85/54/89/484855489.db2.gz GIUIPNYOKAMXJU-UHFFFAOYSA-N -1 0 369.403 -0.137 20 0 FBADRM CSc1nc(=O)n(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[n-]1 ZINC000475880785 484855514 /nfs/dbraw/zinc/85/55/14/484855514.db2.gz IPYGHTLHZAWUCC-UHFFFAOYSA-N -1 0 365.481 -0.530 20 0 FBADRM CSc1nc(=O)n(CC(=O)NCc2ccc(OCC(N)=O)cc2)[n-]1 ZINC000475880951 484855757 /nfs/dbraw/zinc/85/57/57/484855757.db2.gz NCALPMPPFAZQDP-UHFFFAOYSA-N -1 0 351.388 -0.526 20 0 FBADRM CSc1nc(=O)n(CC(=O)N2CCN(C(=O)c3ccco3)CC2)[n-]1 ZINC000475882811 484856331 /nfs/dbraw/zinc/85/63/31/484856331.db2.gz RDXVJERPNJIOGP-UHFFFAOYSA-N -1 0 351.388 -0.129 20 0 FBADRM COCc1n[n-]c(S(=O)(=O)CC(=O)NC[C@H]2Cc3ccccc3O2)n1 ZINC000476029517 484858951 /nfs/dbraw/zinc/85/89/51/484858951.db2.gz FXGLTYFEJBXOIZ-LLVKDONJSA-N -1 0 366.399 -0.155 20 0 FBADRM COCc1n[n-]c(S(=O)(=O)CC(=O)NC[C@@H]2Cc3ccccc3O2)n1 ZINC000476029518 484858093 /nfs/dbraw/zinc/85/80/93/484858093.db2.gz FXGLTYFEJBXOIZ-NSHDSACASA-N -1 0 366.399 -0.155 20 0 FBADRM CCc1nc(S(=O)(=O)CC(=O)N[C@@H](C)C(=O)N2CCCCC2)n[nH]1 ZINC000476065872 484860077 /nfs/dbraw/zinc/86/00/77/484860077.db2.gz WSVOOHMHZYZJGH-JTQLQIEISA-N -1 0 357.436 -0.342 20 0 FBADRM CCc1nc(S(=O)(=O)CC(=O)N[C@H](C)C(=O)N2CCCCC2)n[nH]1 ZINC000476065873 484859743 /nfs/dbraw/zinc/85/97/43/484859743.db2.gz WSVOOHMHZYZJGH-SNVBAGLBSA-N -1 0 357.436 -0.342 20 0 FBADRM CC(C)(NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)c1nnn[n-]1 ZINC000476116770 484861643 /nfs/dbraw/zinc/86/16/43/484861643.db2.gz SMFWBWHIZDDPSI-AWEZNQCLSA-N -1 0 365.394 -0.833 20 0 FBADRM CC(C)(NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)c1nnn[n-]1 ZINC000476116771 484861779 /nfs/dbraw/zinc/86/17/79/484861779.db2.gz SMFWBWHIZDDPSI-CQSZACIVSA-N -1 0 365.394 -0.833 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2ccc3n[nH]c(C(N)=O)c3c2)cc1C(N)=O ZINC000476291645 484865399 /nfs/dbraw/zinc/86/53/99/484865399.db2.gz WPJQATSVEUPRGI-UHFFFAOYSA-N -1 0 362.371 -0.100 20 0 FBADRM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)c1 ZINC000476411306 484867811 /nfs/dbraw/zinc/86/78/11/484867811.db2.gz OHDBRRGLPFPUDU-UHFFFAOYSA-N -1 0 368.371 -0.036 20 0 FBADRM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c1 ZINC000476426478 484867239 /nfs/dbraw/zinc/86/72/39/484867239.db2.gz WMYLFVFQDUMCMB-UHFFFAOYSA-N -1 0 368.371 -0.036 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2nnc(-c3cccs3)o2)c(=O)n(C)c1=O ZINC000476446239 484869111 /nfs/dbraw/zinc/86/91/11/484869111.db2.gz HLSPXNCFTCTYKJ-UHFFFAOYSA-N -1 0 369.384 -0.004 20 0 FBADRM COCCC(=O)N1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000476587878 484875442 /nfs/dbraw/zinc/87/54/42/484875442.db2.gz LOMDQPBJUAWUTC-UHFFFAOYSA-N -1 0 361.358 -0.243 20 0 FBADRM Cc1nc(=NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)s[n-]1 ZINC000476698294 484877332 /nfs/dbraw/zinc/87/73/32/484877332.db2.gz IZGSQMHOCQOABL-SSDOTTSWSA-N -1 0 369.428 -0.327 20 0 FBADRM Cc1nc(=NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)s[n-]1 ZINC000476698315 484877653 /nfs/dbraw/zinc/87/76/53/484877653.db2.gz IZGSQMHOCQOABL-ZETCQYMHSA-N -1 0 369.428 -0.327 20 0 FBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000476885975 484883514 /nfs/dbraw/zinc/88/35/14/484883514.db2.gz WPUWGNKXZJIKAX-LURJTMIESA-N -1 0 371.466 -0.578 20 0 FBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000476885976 484884116 /nfs/dbraw/zinc/88/41/16/484884116.db2.gz WPUWGNKXZJIKAX-ZCFIWIBFSA-N -1 0 371.466 -0.578 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(CC(=O)NC2(c3nnn[n-]3)CC2)cc1 ZINC000476901984 484884681 /nfs/dbraw/zinc/88/46/81/484884681.db2.gz XSBXLNDFKFDZBY-UHFFFAOYSA-N -1 0 350.404 -0.202 20 0 FBADRM COC(=O)CN1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CC1 ZINC000476908719 484885111 /nfs/dbraw/zinc/88/51/11/484885111.db2.gz BLLZGHOIESCMNB-UHFFFAOYSA-N -1 0 355.416 -0.011 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)o1 ZINC000476958549 484886581 /nfs/dbraw/zinc/88/65/81/484886581.db2.gz JDQDTDPHTKFLKC-UHFFFAOYSA-N -1 0 350.316 -0.139 20 0 FBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000476958782 484886444 /nfs/dbraw/zinc/88/64/44/484886444.db2.gz JLRJXQGTKXAPGF-LLVKDONJSA-N -1 0 354.392 -0.120 20 0 FBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000476958783 484886316 /nfs/dbraw/zinc/88/63/16/484886316.db2.gz JLRJXQGTKXAPGF-NSHDSACASA-N -1 0 354.392 -0.120 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)ccn1 ZINC000476983738 484886553 /nfs/dbraw/zinc/88/65/53/484886553.db2.gz LAQDYUTUNYZQCW-UHFFFAOYSA-N -1 0 361.343 -0.337 20 0 FBADRM CCNC(=O)CC(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000476988095 484886350 /nfs/dbraw/zinc/88/63/50/484886350.db2.gz UUDBTRRAQZSKPJ-UHFFFAOYSA-N -1 0 374.385 -0.510 20 0 FBADRM CCc1c(C(=O)NC2(c3nnn[n-]3)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000477016143 484887992 /nfs/dbraw/zinc/88/79/92/484887992.db2.gz CKAXZPCWLLPITC-UHFFFAOYSA-N -1 0 370.373 -0.873 20 0 FBADRM CCNS(=O)(=O)c1ccc(CC(=O)NC2(c3nnn[n-]3)CC2)cc1 ZINC000477020914 484887880 /nfs/dbraw/zinc/88/78/80/484887880.db2.gz QNRDAEJUQNMOJX-UHFFFAOYSA-N -1 0 350.404 -0.154 20 0 FBADRM O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NC1(c2nnn[n-]2)CC1 ZINC000477021311 484887128 /nfs/dbraw/zinc/88/71/28/484887128.db2.gz RLBJKWIKERYLID-UHFFFAOYSA-N -1 0 367.369 -0.623 20 0 FBADRM CS(=O)(=O)NCCc1ccc(C(=O)NC2(c3nnn[n-]3)CC2)s1 ZINC000477021976 484888040 /nfs/dbraw/zinc/88/80/40/484888040.db2.gz COFCVNOFQQCEIW-UHFFFAOYSA-N -1 0 356.433 -0.228 20 0 FBADRM O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NC1(c2nnn[n-]2)CC1 ZINC000477025523 484887259 /nfs/dbraw/zinc/88/72/59/484887259.db2.gz NIXWFCUAXYETCG-UHFFFAOYSA-N -1 0 372.357 -0.048 20 0 FBADRM O=C(CNS(=O)(=O)c1ccc(Cl)s1)NC1(c2nnn[n-]2)CC1 ZINC000477025789 484887786 /nfs/dbraw/zinc/88/77/86/484887786.db2.gz PFNFTAWXBJHNAB-UHFFFAOYSA-N -1 0 362.824 -0.002 20 0 FBADRM O=C(NC1(c2nnn[n-]2)CC1)c1nc2ncc(Br)cn2n1 ZINC000477029091 484887928 /nfs/dbraw/zinc/88/79/28/484887928.db2.gz IDMOLKUOKHOQGB-UHFFFAOYSA-N -1 0 350.140 -0.181 20 0 FBADRM O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)NC1(c2nnn[n-]2)CC1 ZINC000477029654 484887613 /nfs/dbraw/zinc/88/76/13/484887613.db2.gz KKLVFURYBUVSIN-UHFFFAOYSA-N -1 0 365.353 -0.058 20 0 FBADRM CC(=O)NCC(=O)N1CCc2cc(C(=O)NC3(c4nnn[n-]4)CC3)ccc21 ZINC000477038256 484887964 /nfs/dbraw/zinc/88/79/64/484887964.db2.gz SOZZZMRFGZKFDG-UHFFFAOYSA-N -1 0 369.385 -0.356 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2(c3nnn[n-]3)CC2)cc1 ZINC000477038394 484887863 /nfs/dbraw/zinc/88/78/63/484887863.db2.gz ZILOZQMXKZKSOR-JTQLQIEISA-N -1 0 350.404 -0.020 20 0 FBADRM O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NC1(c2nnn[n-]2)CC1 ZINC000477038700 484887465 /nfs/dbraw/zinc/88/74/65/484887465.db2.gz VFYRLGVWAJBBCZ-UHFFFAOYSA-N -1 0 370.417 -0.171 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000477060000 484889312 /nfs/dbraw/zinc/88/93/12/484889312.db2.gz SOXBMSFFGTUDMV-MRVPVSSYSA-N -1 0 368.423 -0.978 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000477060013 484888771 /nfs/dbraw/zinc/88/87/71/484888771.db2.gz SOXBMSFFGTUDMV-QMMMGPOBSA-N -1 0 368.423 -0.978 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC1(c2nnn[n-]2)CC1 ZINC000477062079 484889251 /nfs/dbraw/zinc/88/92/51/484889251.db2.gz RBMOPXVGYYRGEF-ZETCQYMHSA-N -1 0 355.380 -0.723 20 0 FBADRM O=c1ccccn1CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000477109463 484890577 /nfs/dbraw/zinc/89/05/77/484890577.db2.gz ABLMHVCZMFTROM-UHFFFAOYSA-N -1 0 363.355 -0.424 20 0 FBADRM C[C@@H]1COCCN1CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000477122108 484890671 /nfs/dbraw/zinc/89/06/71/484890671.db2.gz BRLFATOUBFWLOM-SECBINFHSA-N -1 0 369.403 -0.565 20 0 FBADRM C[C@H]1COCCN1CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000477122109 484890225 /nfs/dbraw/zinc/89/02/25/484890225.db2.gz BRLFATOUBFWLOM-VIFPVBQESA-N -1 0 369.403 -0.565 20 0 FBADRM CN(C)c1noc(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)n1 ZINC000477154922 484892471 /nfs/dbraw/zinc/89/24/71/484892471.db2.gz UIYMMACHEZTHCU-UHFFFAOYSA-N -1 0 367.347 -0.637 20 0 FBADRM CN(C)c1noc(C[N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)n1 ZINC000477158662 484891877 /nfs/dbraw/zinc/89/18/77/484891877.db2.gz UOKUZXBDVAZVJN-UHFFFAOYSA-N -1 0 361.405 -0.739 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@H](C)C1 ZINC000477195796 484892990 /nfs/dbraw/zinc/89/29/90/484892990.db2.gz DKCHVLIOOQJTIW-MRVPVSSYSA-N -1 0 367.387 -0.323 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@@H](C)C1 ZINC000477195798 484893423 /nfs/dbraw/zinc/89/34/23/484893423.db2.gz DKCHVLIOOQJTIW-QMMMGPOBSA-N -1 0 367.387 -0.323 20 0 FBADRM CC(C)(C(N)=O)N1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000477346664 484895618 /nfs/dbraw/zinc/89/56/18/484895618.db2.gz CZLPCJQCFUGBGG-UHFFFAOYSA-N -1 0 360.374 -0.542 20 0 FBADRM Cc1cc(C(=O)N2CCN(C(C)(C)C(N)=O)CC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000477378012 484896061 /nfs/dbraw/zinc/89/60/61/484896061.db2.gz HACMLBVJTVOCCE-UHFFFAOYSA-N -1 0 374.401 -0.234 20 0 FBADRM NC(=O)Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)cn1 ZINC000477404124 484897153 /nfs/dbraw/zinc/89/71/53/484897153.db2.gz LORFYYUZWBEFKO-UHFFFAOYSA-N -1 0 370.412 -0.501 20 0 FBADRM NC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)n1 ZINC000477438058 484897865 /nfs/dbraw/zinc/89/78/65/484897865.db2.gz WBZLYNCEDOVXGX-UHFFFAOYSA-N -1 0 370.412 -0.501 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000477493558 484900935 /nfs/dbraw/zinc/90/09/35/484900935.db2.gz RVAMFZULLBRMEU-UHFFFAOYSA-N -1 0 360.440 -0.570 20 0 FBADRM Cc1n[nH]cc1CCCNC(=O)CCNC(=O)c1cnc([O-])n(C)c1=O ZINC000477645173 484906574 /nfs/dbraw/zinc/90/65/74/484906574.db2.gz NDWIBYFRJWBBLX-UHFFFAOYSA-N -1 0 362.390 -0.614 20 0 FBADRM COC[C@@H](CO)NC(=O)c1cc([N-]S(C)(=O)=O)c(OC)c(OC)c1 ZINC000477718056 484910368 /nfs/dbraw/zinc/91/03/68/484910368.db2.gz NGFZNTIJRVENDO-SNVBAGLBSA-N -1 0 362.404 -0.188 20 0 FBADRM COC[C@@H](CO)NC(=O)c1ccc(-n2[n-]c(CC(=O)OC)cc2=O)cc1 ZINC000477742819 484911884 /nfs/dbraw/zinc/91/18/84/484911884.db2.gz QXEMLQJWZYRLBC-CYBMUJFWSA-N -1 0 363.370 -0.382 20 0 FBADRM COC[C@@H](CO)NC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O ZINC000477756841 484912595 /nfs/dbraw/zinc/91/25/95/484912595.db2.gz ZDOKAXPUWLERPN-LLVKDONJSA-N -1 0 359.404 -0.246 20 0 FBADRM COc1cc(C(=O)NC(C)(CO)CO)cc([N-]S(C)(=O)=O)c1OC ZINC000477780381 484911572 /nfs/dbraw/zinc/91/15/72/484911572.db2.gz PXXFXEATVBNENO-UHFFFAOYSA-N -1 0 362.404 -0.452 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N(C)C[C@@H](C)c2nnn[n-]2)cn1C ZINC000478110865 484918007 /nfs/dbraw/zinc/91/80/07/484918007.db2.gz SAVUDYXYZLEMLE-SECBINFHSA-N -1 0 370.439 -0.828 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N(C)C[C@H](C)c2nnn[n-]2)cn1C ZINC000478110880 484918633 /nfs/dbraw/zinc/91/86/33/484918633.db2.gz SAVUDYXYZLEMLE-VIFPVBQESA-N -1 0 370.439 -0.828 20 0 FBADRM CN1CCO[C@@H](C(=O)NCC(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)C1 ZINC000478263040 484921170 /nfs/dbraw/zinc/92/11/70/484921170.db2.gz RPCUWEISSAAVDU-LLVKDONJSA-N -1 0 361.358 -0.574 20 0 FBADRM CN1CCO[C@H](C(=O)NCC(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)C1 ZINC000478263041 484921348 /nfs/dbraw/zinc/92/13/48/484921348.db2.gz RPCUWEISSAAVDU-NSHDSACASA-N -1 0 361.358 -0.574 20 0 FBADRM CCNS(=O)(=O)c1ccc(CNC(=O)c2cnc([O-])n(C)c2=O)cc1 ZINC000478280026 484922709 /nfs/dbraw/zinc/92/27/09/484922709.db2.gz LMCGUTVSDCAZCP-UHFFFAOYSA-N -1 0 366.399 -0.286 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CC(CC(N)=O)C3)cc2)[n-]1 ZINC000478321468 484923642 /nfs/dbraw/zinc/92/36/42/484923642.db2.gz WVABKHJWORAXRA-UHFFFAOYSA-N -1 0 372.381 -0.172 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000478541087 484926795 /nfs/dbraw/zinc/92/67/95/484926795.db2.gz IRKJGZLSCBARSS-UHFFFAOYSA-N -1 0 355.376 -0.635 20 0 FBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000478544995 484926514 /nfs/dbraw/zinc/92/65/14/484926514.db2.gz VEUZJSQIMIAXGX-SECBINFHSA-N -1 0 359.342 -0.049 20 0 FBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000478544996 484926023 /nfs/dbraw/zinc/92/60/23/484926023.db2.gz VEUZJSQIMIAXGX-VIFPVBQESA-N -1 0 359.342 -0.049 20 0 FBADRM COc1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1S(=O)(=O)N(C)C ZINC000478547529 484925924 /nfs/dbraw/zinc/92/59/24/484925924.db2.gz MOXWFQQPFHJYGA-UHFFFAOYSA-N -1 0 355.376 -0.301 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000478547540 484926246 /nfs/dbraw/zinc/92/62/46/484926246.db2.gz MUBORAITLHQJOJ-QMMMGPOBSA-N -1 0 355.376 -0.498 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000478548175 484925818 /nfs/dbraw/zinc/92/58/18/484925818.db2.gz JIWRZFUGBFEVOG-UHFFFAOYSA-N -1 0 369.403 -0.327 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000478548528 484926524 /nfs/dbraw/zinc/92/65/24/484926524.db2.gz AKHFEJXFWHIXKS-UHFFFAOYSA-N -1 0 367.387 -0.302 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000478549387 484926716 /nfs/dbraw/zinc/92/67/16/484926716.db2.gz MXSADSABGFKJLP-UHFFFAOYSA-N -1 0 368.419 -0.047 20 0 FBADRM CCOc1ccc(S(=O)(=O)NCCC(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000478550995 484926827 /nfs/dbraw/zinc/92/68/27/484926827.db2.gz XENZTKYJCXZIKX-UHFFFAOYSA-N -1 0 369.403 -0.106 20 0 FBADRM COc1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1S(=O)(=O)NC1CC1 ZINC000478551301 484926548 /nfs/dbraw/zinc/92/65/48/484926548.db2.gz IDIMUZZEYFVKIX-UHFFFAOYSA-N -1 0 367.387 -0.110 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000478552457 484926805 /nfs/dbraw/zinc/92/68/05/484926805.db2.gz SQJYSJNZIOVJDS-UHFFFAOYSA-N -1 0 367.387 -0.302 20 0 FBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000478553975 484925986 /nfs/dbraw/zinc/92/59/86/484925986.db2.gz QHHYTGBOFAGOJW-UHFFFAOYSA-N -1 0 372.432 -0.494 20 0 FBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000478558438 484926498 /nfs/dbraw/zinc/92/64/98/484926498.db2.gz WQTUDDPDCQQVAX-UHFFFAOYSA-N -1 0 367.387 -0.539 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000478561588 484926074 /nfs/dbraw/zinc/92/60/74/484926074.db2.gz MWKGOTQJHKRAHY-UHFFFAOYSA-N -1 0 355.376 -0.635 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@](C)(C(N)=O)C2)c1 ZINC000478568017 484926602 /nfs/dbraw/zinc/92/66/02/484926602.db2.gz JHKIQGZDOMVNBL-HNNXBMFYSA-N -1 0 355.416 -0.020 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@](C)(C(N)=O)C2)c1 ZINC000478568019 484926684 /nfs/dbraw/zinc/92/66/84/484926684.db2.gz JHKIQGZDOMVNBL-OAHLLOKOSA-N -1 0 355.416 -0.020 20 0 FBADRM CCN1CN(S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)CC1=O ZINC000478575611 484926707 /nfs/dbraw/zinc/92/67/07/484926707.db2.gz LTJMPDFNLUPCQF-UHFFFAOYSA-N -1 0 355.372 -0.689 20 0 FBADRM CCN1CN(S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)CC1=O ZINC000478578952 484926432 /nfs/dbraw/zinc/92/64/32/484926432.db2.gz FNSHHNMIGHTBRU-UHFFFAOYSA-N -1 0 356.356 -0.034 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000478589739 484927810 /nfs/dbraw/zinc/92/78/10/484927810.db2.gz DUIPYORLPXBHIE-APPZFPTMSA-N -1 0 371.423 -0.267 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000478589740 484927874 /nfs/dbraw/zinc/92/78/74/484927874.db2.gz DUIPYORLPXBHIE-CBAPKCEASA-N -1 0 371.423 -0.267 20 0 FBADRM Cc1c(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000478592897 484927617 /nfs/dbraw/zinc/92/76/17/484927617.db2.gz CRXCYUPCBCPBHD-MRVPVSSYSA-N -1 0 372.389 -0.671 20 0 FBADRM Cc1c(C(=O)N(C)C[C@H](C)c2nnn[n-]2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000478592899 484927138 /nfs/dbraw/zinc/92/71/38/484927138.db2.gz CRXCYUPCBCPBHD-QMMMGPOBSA-N -1 0 372.389 -0.671 20 0 FBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000478600832 484927226 /nfs/dbraw/zinc/92/72/26/484927226.db2.gz UNHWOFAKXXLDAZ-NXEZZACHSA-N -1 0 364.497 -0.177 20 0 FBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000478600833 484928145 /nfs/dbraw/zinc/92/81/45/484928145.db2.gz UNHWOFAKXXLDAZ-UWVGGRQHSA-N -1 0 364.497 -0.177 20 0 FBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000478600834 484927731 /nfs/dbraw/zinc/92/77/31/484927731.db2.gz UNHWOFAKXXLDAZ-VHSXEESVSA-N -1 0 364.497 -0.177 20 0 FBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000478600835 484928125 /nfs/dbraw/zinc/92/81/25/484928125.db2.gz UNHWOFAKXXLDAZ-ZJUUUORDSA-N -1 0 364.497 -0.177 20 0 FBADRM CCOC(=O)[C@@](C)(O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000478604727 484927969 /nfs/dbraw/zinc/92/79/69/484927969.db2.gz ZTKDPMDVKRTIGN-HNNXBMFYSA-N -1 0 350.331 -0.212 20 0 FBADRM CCOC(=O)[C@](C)(O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000478604728 484927254 /nfs/dbraw/zinc/92/72/54/484927254.db2.gz ZTKDPMDVKRTIGN-OAHLLOKOSA-N -1 0 350.331 -0.212 20 0 FBADRM O=C(CCNS(=O)(=O)c1ccccc1)NCCCc1n[nH]c(=O)[n-]1 ZINC000478790221 484932260 /nfs/dbraw/zinc/93/22/60/484932260.db2.gz BXXLERCIKZQQSJ-UHFFFAOYSA-N -1 0 353.404 -0.072 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478857179 660459197 /nfs/dbraw/zinc/45/91/97/660459197.db2.gz OHGOJTLKNPGHRD-GFCCVEGCSA-N -1 0 351.334 -0.009 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478857181 660459133 /nfs/dbraw/zinc/45/91/33/660459133.db2.gz OHGOJTLKNPGHRD-LBPRGKRZSA-N -1 0 351.334 -0.009 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)Cc2nc3ncccn3n2)C1=O ZINC000478955250 484938743 /nfs/dbraw/zinc/93/87/43/484938743.db2.gz FIIKCSNQTKHOBX-GWCFXTLKSA-N -1 0 360.374 -0.507 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)Cc2nc3ncccn3n2)C1=O ZINC000478955251 484938552 /nfs/dbraw/zinc/93/85/52/484938552.db2.gz FIIKCSNQTKHOBX-GXFFZTMASA-N -1 0 360.374 -0.507 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)Cc2nc3ncccn3n2)C1=O ZINC000478955252 484938805 /nfs/dbraw/zinc/93/88/05/484938805.db2.gz FIIKCSNQTKHOBX-MFKMUULPSA-N -1 0 360.374 -0.507 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)Cc2nc3ncccn3n2)C1=O ZINC000478955253 484938911 /nfs/dbraw/zinc/93/89/11/484938911.db2.gz FIIKCSNQTKHOBX-ZWNOBZJWSA-N -1 0 360.374 -0.507 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)CCCN2C(=O)CNC2=O)C1=O ZINC000478973853 484940179 /nfs/dbraw/zinc/94/01/79/484940179.db2.gz ZGQQSJGYYMMNAY-GWCFXTLKSA-N -1 0 368.390 -0.855 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)CCCN2C(=O)CNC2=O)C1=O ZINC000478973854 484940408 /nfs/dbraw/zinc/94/04/08/484940408.db2.gz ZGQQSJGYYMMNAY-GXFFZTMASA-N -1 0 368.390 -0.855 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)CCCN2C(=O)CNC2=O)C1=O ZINC000478973855 484940696 /nfs/dbraw/zinc/94/06/96/484940696.db2.gz ZGQQSJGYYMMNAY-MFKMUULPSA-N -1 0 368.390 -0.855 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)CCCN2C(=O)CNC2=O)C1=O ZINC000478973856 484939844 /nfs/dbraw/zinc/93/98/44/484939844.db2.gz ZGQQSJGYYMMNAY-ZWNOBZJWSA-N -1 0 368.390 -0.855 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)CCN2C(=O)CCC2=O)C1=O ZINC000478982196 484939820 /nfs/dbraw/zinc/93/98/20/484939820.db2.gz IRAATHPFSFYRIN-HZMBPMFUSA-N -1 0 353.375 -0.648 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)CCN2C(=O)CCC2=O)C1=O ZINC000478982225 484939879 /nfs/dbraw/zinc/93/98/79/484939879.db2.gz IRAATHPFSFYRIN-IINYFYTJSA-N -1 0 353.375 -0.648 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)C1=O ZINC000478982226 484940164 /nfs/dbraw/zinc/94/01/64/484940164.db2.gz IRAATHPFSFYRIN-QMTHXVAHSA-N -1 0 353.375 -0.648 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)C1=O ZINC000478982230 484940031 /nfs/dbraw/zinc/94/00/31/484940031.db2.gz IRAATHPFSFYRIN-YGRLFVJLSA-N -1 0 353.375 -0.648 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1=O ZINC000478982661 484940557 /nfs/dbraw/zinc/94/05/57/484940557.db2.gz IYGBAPIEKVYKNN-GXSJLCMTSA-N -1 0 368.390 -0.857 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1=O ZINC000478982706 484940441 /nfs/dbraw/zinc/94/04/41/484940441.db2.gz IYGBAPIEKVYKNN-KOLCDFICSA-N -1 0 368.390 -0.857 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1=O ZINC000478982710 484940612 /nfs/dbraw/zinc/94/06/12/484940612.db2.gz IYGBAPIEKVYKNN-MWLCHTKSSA-N -1 0 368.390 -0.857 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1=O ZINC000478982713 484940690 /nfs/dbraw/zinc/94/06/90/484940690.db2.gz IYGBAPIEKVYKNN-ONGXEEELSA-N -1 0 368.390 -0.857 20 0 FBADRM CCS(=O)(=O)N(C)CC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000478985685 484940271 /nfs/dbraw/zinc/94/02/71/484940271.db2.gz HCWQCSOLSWOIIH-CMPLNLGQSA-N -1 0 363.436 -0.906 20 0 FBADRM CCS(=O)(=O)N(C)CC(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000478985686 484940586 /nfs/dbraw/zinc/94/05/86/484940586.db2.gz HCWQCSOLSWOIIH-JQWIXIFHSA-N -1 0 363.436 -0.906 20 0 FBADRM CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000478985687 484940170 /nfs/dbraw/zinc/94/01/70/484940170.db2.gz HCWQCSOLSWOIIH-PWSUYJOCSA-N -1 0 363.436 -0.906 20 0 FBADRM CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000478985688 484940482 /nfs/dbraw/zinc/94/04/82/484940482.db2.gz HCWQCSOLSWOIIH-ZYHUDNBSSA-N -1 0 363.436 -0.906 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)CCC(=O)N2CCOCC2)C1=O ZINC000478986824 484940462 /nfs/dbraw/zinc/94/04/62/484940462.db2.gz OAXNHLPJLYGCKF-DOMZBBRYSA-N -1 0 369.418 -0.548 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)CCC(=O)N2CCOCC2)C1=O ZINC000478986833 484940220 /nfs/dbraw/zinc/94/02/20/484940220.db2.gz OAXNHLPJLYGCKF-IUODEOHRSA-N -1 0 369.418 -0.548 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)CCC(=O)N2CCOCC2)C1=O ZINC000478986836 484940715 /nfs/dbraw/zinc/94/07/15/484940715.db2.gz OAXNHLPJLYGCKF-SWLSCSKDSA-N -1 0 369.418 -0.548 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)CCC(=O)N2CCOCC2)C1=O ZINC000478986838 484940021 /nfs/dbraw/zinc/94/00/21/484940021.db2.gz OAXNHLPJLYGCKF-WFASDCNBSA-N -1 0 369.418 -0.548 20 0 FBADRM CNC(=O)c1ccc(C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cn1 ZINC000478987968 484940579 /nfs/dbraw/zinc/94/05/79/484940579.db2.gz JTQSUDAMXHPAJD-CHWSQXEVSA-N -1 0 362.386 -0.119 20 0 FBADRM CNC(=O)c1ccc(C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cn1 ZINC000478987969 484940368 /nfs/dbraw/zinc/94/03/68/484940368.db2.gz JTQSUDAMXHPAJD-OLZOCXBDSA-N -1 0 362.386 -0.119 20 0 FBADRM CNC(=O)c1ccc(C(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cn1 ZINC000478987970 484940277 /nfs/dbraw/zinc/94/02/77/484940277.db2.gz JTQSUDAMXHPAJD-QWHCGFSZSA-N -1 0 362.386 -0.119 20 0 FBADRM CNC(=O)c1ccc(C(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cn1 ZINC000478987971 484940507 /nfs/dbraw/zinc/94/05/07/484940507.db2.gz JTQSUDAMXHPAJD-STQMWFEESA-N -1 0 362.386 -0.119 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1=O ZINC000478992163 484940120 /nfs/dbraw/zinc/94/01/20/484940120.db2.gz NZGPCXJQDAEGNI-CMPLNLGQSA-N -1 0 350.375 -0.436 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1=O ZINC000478992164 484940499 /nfs/dbraw/zinc/94/04/99/484940499.db2.gz NZGPCXJQDAEGNI-JQWIXIFHSA-N -1 0 350.375 -0.436 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2cc(C(N)=O)cn2C)C1=O ZINC000478992165 484940627 /nfs/dbraw/zinc/94/06/27/484940627.db2.gz NZGPCXJQDAEGNI-PWSUYJOCSA-N -1 0 350.375 -0.436 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2cc(C(N)=O)cn2C)C1=O ZINC000478992166 484939829 /nfs/dbraw/zinc/93/98/29/484939829.db2.gz NZGPCXJQDAEGNI-ZYHUDNBSSA-N -1 0 350.375 -0.436 20 0 FBADRM CC(C)CS(=O)(=O)CC(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000478999659 484940356 /nfs/dbraw/zinc/94/03/56/484940356.db2.gz YHUAXPMWSYLVCN-AAEUAGOBSA-N -1 0 362.448 -0.117 20 0 FBADRM CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000478999665 484940236 /nfs/dbraw/zinc/94/02/36/484940236.db2.gz YHUAXPMWSYLVCN-DGCLKSJQSA-N -1 0 362.448 -0.117 20 0 FBADRM CC(C)CS(=O)(=O)CC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000478999667 484940633 /nfs/dbraw/zinc/94/06/33/484940633.db2.gz YHUAXPMWSYLVCN-WCQYABFASA-N -1 0 362.448 -0.117 20 0 FBADRM CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000478999668 484940062 /nfs/dbraw/zinc/94/00/62/484940062.db2.gz YHUAXPMWSYLVCN-YPMHNXCESA-N -1 0 362.448 -0.117 20 0 FBADRM COCC(=O)N[C@H](C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O)C(C)C ZINC000479001211 484940458 /nfs/dbraw/zinc/94/04/58/484940458.db2.gz OJCLALOUNPWDCA-FPMFFAJLSA-N -1 0 371.434 -0.400 20 0 FBADRM COCC(=O)N[C@H](C(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O)C(C)C ZINC000479001213 484940474 /nfs/dbraw/zinc/94/04/74/484940474.db2.gz OJCLALOUNPWDCA-KWCYVHTRSA-N -1 0 371.434 -0.400 20 0 FBADRM COCC(=O)N[C@H](C(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O)C(C)C ZINC000479001214 484940452 /nfs/dbraw/zinc/94/04/52/484940452.db2.gz OJCLALOUNPWDCA-UBHSHLNASA-N -1 0 371.434 -0.400 20 0 FBADRM COCC(=O)N[C@H](C(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O)C(C)C ZINC000479001215 484940303 /nfs/dbraw/zinc/94/03/03/484940303.db2.gz OJCLALOUNPWDCA-XBFCOCLRSA-N -1 0 371.434 -0.400 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1=O ZINC000479002967 484940606 /nfs/dbraw/zinc/94/06/06/484940606.db2.gz RZOWTYJINPOYEV-NXEZZACHSA-N -1 0 363.436 -0.860 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1=O ZINC000479002969 484940737 /nfs/dbraw/zinc/94/07/37/484940737.db2.gz RZOWTYJINPOYEV-UWVGGRQHSA-N -1 0 363.436 -0.860 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1=O ZINC000479002970 484940707 /nfs/dbraw/zinc/94/07/07/484940707.db2.gz RZOWTYJINPOYEV-VHSXEESVSA-N -1 0 363.436 -0.860 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1=O ZINC000479002971 484941643 /nfs/dbraw/zinc/94/16/43/484941643.db2.gz RZOWTYJINPOYEV-ZJUUUORDSA-N -1 0 363.436 -0.860 20 0 FBADRM Cc1noc(COCC(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)n1 ZINC000479004653 484941516 /nfs/dbraw/zinc/94/15/16/484941516.db2.gz CTUQUNVLBMSBGX-GWCFXTLKSA-N -1 0 354.363 -0.279 20 0 FBADRM Cc1noc(COCC(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)n1 ZINC000479004659 484941588 /nfs/dbraw/zinc/94/15/88/484941588.db2.gz CTUQUNVLBMSBGX-GXFFZTMASA-N -1 0 354.363 -0.279 20 0 FBADRM Cc1noc(COCC(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)n1 ZINC000479004661 484941757 /nfs/dbraw/zinc/94/17/57/484941757.db2.gz CTUQUNVLBMSBGX-MFKMUULPSA-N -1 0 354.363 -0.279 20 0 FBADRM Cc1noc(COCC(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)n1 ZINC000479004662 484941664 /nfs/dbraw/zinc/94/16/64/484941664.db2.gz CTUQUNVLBMSBGX-ZWNOBZJWSA-N -1 0 354.363 -0.279 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1=O ZINC000479005305 484941955 /nfs/dbraw/zinc/94/19/55/484941955.db2.gz YMJZBCDXZIPETR-GXSJLCMTSA-N -1 0 368.390 -0.857 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1=O ZINC000479005306 484941583 /nfs/dbraw/zinc/94/15/83/484941583.db2.gz YMJZBCDXZIPETR-KOLCDFICSA-N -1 0 368.390 -0.857 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1=O ZINC000479005307 484942160 /nfs/dbraw/zinc/94/21/60/484942160.db2.gz YMJZBCDXZIPETR-MWLCHTKSSA-N -1 0 368.390 -0.857 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1=O ZINC000479005308 484941386 /nfs/dbraw/zinc/94/13/86/484941386.db2.gz YMJZBCDXZIPETR-ONGXEEELSA-N -1 0 368.390 -0.857 20 0 FBADRM Cc1ccnc2nc(C(=O)N[C@@H]3CCN([C@@H](C(=O)[O-])C(C)C)C3=O)nn21 ZINC000479006037 484941698 /nfs/dbraw/zinc/94/16/98/484941698.db2.gz JKDNOHLZCHBVOG-GHMZBOCLSA-N -1 0 360.374 -0.127 20 0 FBADRM Cc1ccnc2nc(C(=O)N[C@@H]3CCN([C@H](C(=O)[O-])C(C)C)C3=O)nn21 ZINC000479006038 484941443 /nfs/dbraw/zinc/94/14/43/484941443.db2.gz JKDNOHLZCHBVOG-MNOVXSKESA-N -1 0 360.374 -0.127 20 0 FBADRM Cc1ccnc2nc(C(=O)N[C@H]3CCN([C@H](C(=O)[O-])C(C)C)C3=O)nn21 ZINC000479006039 484941968 /nfs/dbraw/zinc/94/19/68/484941968.db2.gz JKDNOHLZCHBVOG-QWRGUYRKSA-N -1 0 360.374 -0.127 20 0 FBADRM Cc1ccnc2nc(C(=O)N[C@H]3CCN([C@@H](C(=O)[O-])C(C)C)C3=O)nn21 ZINC000479006040 484941239 /nfs/dbraw/zinc/94/12/39/484941239.db2.gz JKDNOHLZCHBVOG-WDEREUQCSA-N -1 0 360.374 -0.127 20 0 FBADRM COCCN1C[C@H](C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)CC1=O ZINC000479007063 484941535 /nfs/dbraw/zinc/94/15/35/484941535.db2.gz RHCOCKHFLGGWGZ-BZPMIXESSA-N -1 0 369.418 -0.692 20 0 FBADRM COCCN1C[C@H](C(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)CC1=O ZINC000479007064 484941670 /nfs/dbraw/zinc/94/16/70/484941670.db2.gz RHCOCKHFLGGWGZ-DYEKYZERSA-N -1 0 369.418 -0.692 20 0 FBADRM COCCN1C[C@H](C(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)CC1=O ZINC000479007065 484941870 /nfs/dbraw/zinc/94/18/70/484941870.db2.gz RHCOCKHFLGGWGZ-MBNYWOFBSA-N -1 0 369.418 -0.692 20 0 FBADRM COCCN1C[C@H](C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)CC1=O ZINC000479007066 484941395 /nfs/dbraw/zinc/94/13/95/484941395.db2.gz RHCOCKHFLGGWGZ-YRGRVCCFSA-N -1 0 369.418 -0.692 20 0 FBADRM CNC(=O)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)OC)c2)nc1 ZINC000479115380 484943541 /nfs/dbraw/zinc/94/35/41/484943541.db2.gz LDBKWMLSQJIZPA-UHFFFAOYSA-N -1 0 353.360 -0.389 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC)cn2)cn1C ZINC000479124411 484943814 /nfs/dbraw/zinc/94/38/14/484943814.db2.gz AKWXRVUVFRGLBG-UHFFFAOYSA-N -1 0 351.388 -0.060 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccnc3ncnn32)c1 ZINC000479130962 484942831 /nfs/dbraw/zinc/94/28/31/484942831.db2.gz FSVFRQBRYGGMGU-UHFFFAOYSA-N -1 0 368.400 -0.167 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccnc3ncnn32)c1 ZINC000479133500 484943015 /nfs/dbraw/zinc/94/30/15/484943015.db2.gz SIHYJFANHUGXFT-UHFFFAOYSA-N -1 0 354.373 -0.428 20 0 FBADRM CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)nc1 ZINC000479135892 484942625 /nfs/dbraw/zinc/94/26/25/484942625.db2.gz PLCKSEHWAZARJC-UHFFFAOYSA-N -1 0 370.412 -0.111 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccnc3ncnn32)cc1 ZINC000479139545 484943736 /nfs/dbraw/zinc/94/37/36/484943736.db2.gz JBCYEOJWNRYXFC-UHFFFAOYSA-N -1 0 368.400 -0.167 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)NC)n2)o1 ZINC000479245195 484946228 /nfs/dbraw/zinc/94/62/28/484946228.db2.gz AVWUXRKYBJJNRL-UHFFFAOYSA-N -1 0 357.348 -0.405 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)o1 ZINC000479258778 484946242 /nfs/dbraw/zinc/94/62/42/484946242.db2.gz KGYAPRVDCKQNKR-UHFFFAOYSA-N -1 0 371.375 -0.063 20 0 FBADRM O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NCc1n[nH]c(=O)[n-]1 ZINC000479369703 484949108 /nfs/dbraw/zinc/94/91/08/484949108.db2.gz CNAKIYVZDGPMMI-UHFFFAOYSA-N -1 0 368.371 -0.238 20 0 FBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000479387704 484949020 /nfs/dbraw/zinc/94/90/20/484949020.db2.gz ROMCJJKMFGQKJS-UHFFFAOYSA-N -1 0 373.416 -0.477 20 0 FBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000479388615 484948536 /nfs/dbraw/zinc/94/85/36/484948536.db2.gz KAZMKQFTSXSFNA-UHFFFAOYSA-N -1 0 367.387 -0.539 20 0 FBADRM COc1cccc(C[C@H](C(=O)NCc2n[nH]c(=O)[n-]2)n2nnnc2C)c1 ZINC000479393831 484949171 /nfs/dbraw/zinc/94/91/71/484949171.db2.gz FJWSYJLSTZCUDF-GFCCVEGCSA-N -1 0 358.362 -0.086 20 0 FBADRM COc1cccc(C[C@@H](C(=O)NCc2n[nH]c(=O)[n-]2)n2nnnc2C)c1 ZINC000479393833 484948683 /nfs/dbraw/zinc/94/86/83/484948683.db2.gz FJWSYJLSTZCUDF-LBPRGKRZSA-N -1 0 358.362 -0.086 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)NCCCc2n[nH]c(=O)[n-]2)c1 ZINC000479487195 484950784 /nfs/dbraw/zinc/95/07/84/484950784.db2.gz FUTBBVJGNIRFSM-UHFFFAOYSA-N -1 0 372.407 -0.874 20 0 FBADRM O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCc1n[nH]c(=O)[n-]1 ZINC000479738828 484952728 /nfs/dbraw/zinc/95/27/28/484952728.db2.gz FFZFUMSTRBBMIR-UHFFFAOYSA-N -1 0 361.330 -0.227 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000479744642 484953259 /nfs/dbraw/zinc/95/32/59/484953259.db2.gz QFKWVPNLBQRHRT-UHFFFAOYSA-N -1 0 353.360 -0.692 20 0 FBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000479747327 484953144 /nfs/dbraw/zinc/95/31/44/484953144.db2.gz VNOPLLRTFUFFOX-UHFFFAOYSA-N -1 0 373.416 -0.477 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)NCCc2cnccn2)cc1 ZINC000479872767 484955358 /nfs/dbraw/zinc/95/53/58/484955358.db2.gz KIJMDIWZNHMCHA-UHFFFAOYSA-N -1 0 364.383 -0.188 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCc3ccnc4ccnn43)cc-2c(=O)[n-]1 ZINC000479954844 484958182 /nfs/dbraw/zinc/95/81/82/484958182.db2.gz ZUOMCMJXLOBHLS-UHFFFAOYSA-N -1 0 373.354 -0.043 20 0 FBADRM O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000480028836 484961019 /nfs/dbraw/zinc/96/10/19/484961019.db2.gz ANFYIIMPCUBGIN-UHFFFAOYSA-N -1 0 350.379 -0.186 20 0 FBADRM O=C(CCNS(=O)(=O)c1cccs1)NCCCc1n[nH]c(=O)[n-]1 ZINC000480033333 484961181 /nfs/dbraw/zinc/96/11/81/484961181.db2.gz FZPLCQBNGYTIBO-UHFFFAOYSA-N -1 0 359.433 -0.011 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000480033494 484960735 /nfs/dbraw/zinc/96/07/35/484960735.db2.gz HFWQJOUFLVDKJU-JTQLQIEISA-N -1 0 353.404 -0.074 20 0 FBADRM Cc1cc(C(=O)NCCCc2n[nH]c(=O)[n-]2)nc2c1c(=O)n(C)c(=O)n2C ZINC000480033946 484960564 /nfs/dbraw/zinc/96/05/64/484960564.db2.gz FWLVTAKHEVFAEU-UHFFFAOYSA-N -1 0 373.373 -0.873 20 0 FBADRM O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000480035147 484961045 /nfs/dbraw/zinc/96/10/45/484961045.db2.gz CLCGRIFTJXCSFM-UHFFFAOYSA-N -1 0 373.167 -0.716 20 0 FBADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000480035378 484961143 /nfs/dbraw/zinc/96/11/43/484961143.db2.gz JPPCYTDWUOVNDR-UHFFFAOYSA-N -1 0 350.379 -0.186 20 0 FBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000480036531 484961202 /nfs/dbraw/zinc/96/12/02/484961202.db2.gz GMSVPJPSVXGEGC-CYBMUJFWSA-N -1 0 359.386 -0.013 20 0 FBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)[C@@H]1COCC(=O)N1Cc1ccccc1 ZINC000480046627 484961010 /nfs/dbraw/zinc/96/10/10/484961010.db2.gz GMSVPJPSVXGEGC-ZDUSSCGKSA-N -1 0 359.386 -0.013 20 0 FBADRM O=C(CCNS(=O)(=O)c1cccnc1)NCCCc1n[nH]c(=O)[n-]1 ZINC000480050890 484960365 /nfs/dbraw/zinc/96/03/65/484960365.db2.gz XQCCEUSYGLLNEF-UHFFFAOYSA-N -1 0 354.392 -0.677 20 0 FBADRM O=C(CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)NCC1CC1 ZINC000480071486 484962386 /nfs/dbraw/zinc/96/23/86/484962386.db2.gz NSPGIGHOPNEFEN-UHFFFAOYSA-N -1 0 353.360 -0.760 20 0 FBADRM CS(=O)(=O)CC1(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000480194386 484963696 /nfs/dbraw/zinc/96/36/96/484963696.db2.gz GOXGVZWWTKWBQY-UHFFFAOYSA-N -1 0 352.372 -0.009 20 0 FBADRM COC(=O)C[C@H]([N-]S(=O)(=O)[C@H]1CCC[C@@H]1C(=O)OC)C(=O)OC ZINC000480295929 484964733 /nfs/dbraw/zinc/96/47/33/484964733.db2.gz XCWNTOXTESQAEG-GUBZILKMSA-N -1 0 351.377 -0.648 20 0 FBADRM COC(=O)C[C@H]([N-]S(=O)(=O)[C@@H]1CCC[C@H]1C(=O)OC)C(=O)OC ZINC000480295931 484964540 /nfs/dbraw/zinc/96/45/40/484964540.db2.gz XCWNTOXTESQAEG-KXUCPTDWSA-N -1 0 351.377 -0.648 20 0 FBADRM COC(=O)C[C@H]([N-]S(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)OC)C(=O)OC ZINC000480295933 484964497 /nfs/dbraw/zinc/96/44/97/484964497.db2.gz XCWNTOXTESQAEG-LPEHRKFASA-N -1 0 351.377 -0.648 20 0 FBADRM COC(=O)C[C@H]([N-]S(=O)(=O)[C@H]1CCC[C@H]1C(=O)OC)C(=O)OC ZINC000480295935 484966081 /nfs/dbraw/zinc/96/60/81/484966081.db2.gz XCWNTOXTESQAEG-UTLUCORTSA-N -1 0 351.377 -0.648 20 0 FBADRM COC(=O)CN1CCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)CC1 ZINC000480411951 484967606 /nfs/dbraw/zinc/96/76/06/484967606.db2.gz MSWLXWZTLGPHMZ-UHFFFAOYSA-N -1 0 361.358 -0.325 20 0 FBADRM O=C(CNS(=O)(=O)c1ccc(Cl)s1)NCc1n[nH]c(=O)[n-]1 ZINC000480481060 484970387 /nfs/dbraw/zinc/97/03/87/484970387.db2.gz UCZYXGMZZNHKOD-UHFFFAOYSA-N -1 0 351.797 -0.180 20 0 FBADRM O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NCc1n[nH]c(=O)[n-]1 ZINC000480490544 484970484 /nfs/dbraw/zinc/97/04/84/484970484.db2.gz HFWRHFAJYRBDQR-UHFFFAOYSA-N -1 0 356.342 -0.802 20 0 FBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000480501715 484970424 /nfs/dbraw/zinc/97/04/24/484970424.db2.gz OCXAXUGACBJERK-UHFFFAOYSA-N -1 0 367.387 -0.539 20 0 FBADRM C[C@](O)(CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)CN1CCOCC1 ZINC000480501926 484970296 /nfs/dbraw/zinc/97/02/96/484970296.db2.gz PNOQICBSTCYTJC-INIZCTEOSA-N -1 0 363.374 -0.751 20 0 FBADRM C[C@@](O)(CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)CN1CCOCC1 ZINC000480501928 484970548 /nfs/dbraw/zinc/97/05/48/484970548.db2.gz PNOQICBSTCYTJC-MRXNPFEDSA-N -1 0 363.374 -0.751 20 0 FBADRM O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NCc1n[nH]c(=O)[n-]1 ZINC000480503203 484970100 /nfs/dbraw/zinc/97/01/00/484970100.db2.gz XLGCTOUVXWPBGG-AWEZNQCLSA-N -1 0 370.369 -0.398 20 0 FBADRM O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NCc1n[nH]c(=O)[n-]1 ZINC000480503209 484969720 /nfs/dbraw/zinc/96/97/20/484969720.db2.gz XLGCTOUVXWPBGG-CQSZACIVSA-N -1 0 370.369 -0.398 20 0 FBADRM O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)NCc1n[nH]c(=O)[n-]1 ZINC000480504584 484970531 /nfs/dbraw/zinc/97/05/31/484970531.db2.gz JDLZTDOBCQPHHV-UHFFFAOYSA-N -1 0 354.326 -0.236 20 0 FBADRM NC(=O)c1ncn2c1nc(-c1ccco1)cc2C(=O)NCc1nc(=O)[n-][nH]1 ZINC000480506296 484970176 /nfs/dbraw/zinc/97/01/76/484970176.db2.gz NTSQVUOEWMDHJT-UHFFFAOYSA-N -1 0 368.313 -0.158 20 0 FBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000480514144 484971415 /nfs/dbraw/zinc/97/14/15/484971415.db2.gz ZUCNWRLOQNSIIS-JTQLQIEISA-N -1 0 359.342 -0.049 20 0 FBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000480514148 484971123 /nfs/dbraw/zinc/97/11/23/484971123.db2.gz ZUCNWRLOQNSIIS-SNVBAGLBSA-N -1 0 359.342 -0.049 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)CNC(=O)c2cccnc2)s1 ZINC000480666733 484975492 /nfs/dbraw/zinc/97/54/92/484975492.db2.gz JTCBLQCUJWQDKY-UHFFFAOYSA-N -1 0 356.389 -0.327 20 0 FBADRM CN(Cc1ccnn1C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000480722186 484976978 /nfs/dbraw/zinc/97/69/78/484976978.db2.gz BEPPAJSRGIFOBQ-UHFFFAOYSA-N -1 0 350.360 -0.010 20 0 FBADRM COCn1nccc1S(=O)(=O)[N-]c1cccc(NS(N)(=O)=O)c1 ZINC000480760913 484978071 /nfs/dbraw/zinc/97/80/71/484978071.db2.gz RNSCAJRVAJTTHO-UHFFFAOYSA-N -1 0 361.405 -0.097 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCCN3CC=CCC3)cc-2c(=O)[n-]1 ZINC000480790409 484978200 /nfs/dbraw/zinc/97/82/00/484978200.db2.gz NNLPHEXITWLKSS-UHFFFAOYSA-N -1 0 351.388 -0.024 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NC[C@H]3CCCS3(=O)=O)cc-2c(=O)[n-]1 ZINC000480848084 484981085 /nfs/dbraw/zinc/98/10/85/484981085.db2.gz QXSFWCXJTMRJOC-SSDOTTSWSA-N -1 0 374.400 -0.709 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NC[C@@H]3CCCS3(=O)=O)cc-2c(=O)[n-]1 ZINC000480848086 484982044 /nfs/dbraw/zinc/98/20/44/484982044.db2.gz QXSFWCXJTMRJOC-ZETCQYMHSA-N -1 0 374.400 -0.709 20 0 FBADRM NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000480869651 484983439 /nfs/dbraw/zinc/98/34/39/484983439.db2.gz QJYWMJPWHRCABB-HTQZYQBOSA-N -1 0 367.387 -0.242 20 0 FBADRM NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000480869661 484983489 /nfs/dbraw/zinc/98/34/89/484983489.db2.gz QJYWMJPWHRCABB-JGVFFNPUSA-N -1 0 367.387 -0.242 20 0 FBADRM NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000480869662 484982786 /nfs/dbraw/zinc/98/27/86/484982786.db2.gz QJYWMJPWHRCABB-SFYZADRCSA-N -1 0 367.387 -0.242 20 0 FBADRM NC(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000480869666 484982709 /nfs/dbraw/zinc/98/27/09/484982709.db2.gz QJYWMJPWHRCABB-YUMQZZPRSA-N -1 0 367.387 -0.242 20 0 FBADRM CN(C)c1noc(C[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)n1 ZINC000480909699 484986012 /nfs/dbraw/zinc/98/60/12/484986012.db2.gz IGXBNEUZQOTTGQ-UHFFFAOYSA-N -1 0 361.405 -0.587 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N(CCO)CC(F)F)cc-2c(=O)[n-]1 ZINC000480947963 484987885 /nfs/dbraw/zinc/98/78/85/484987885.db2.gz DSMCEGXGZXYDGC-UHFFFAOYSA-N -1 0 350.303 -0.316 20 0 FBADRM C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000480986180 484989480 /nfs/dbraw/zinc/98/94/80/484989480.db2.gz KGDSCNUOGSFRRN-ASHCGRQESA-N -1 0 372.428 -0.034 20 0 FBADRM C[C@@H]1[C@H](C)[S@](=O)CCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000480986185 484988624 /nfs/dbraw/zinc/98/86/24/484988624.db2.gz KGDSCNUOGSFRRN-VGHQCMSDSA-N -1 0 372.428 -0.034 20 0 FBADRM C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000480986190 484989361 /nfs/dbraw/zinc/98/93/61/484989361.db2.gz KGDSCNUOGSFRRN-JBEFYTCISA-N -1 0 372.428 -0.034 20 0 FBADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000480986194 484988857 /nfs/dbraw/zinc/98/88/57/484988857.db2.gz KGDSCNUOGSFRRN-FGSWPRGASA-N -1 0 372.428 -0.034 20 0 FBADRM CS(=O)(=O)C1(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000480994226 484989846 /nfs/dbraw/zinc/98/98/46/484989846.db2.gz XADNWVLOFSKBEL-UHFFFAOYSA-N -1 0 374.400 -0.709 20 0 FBADRM C[C@@H](CCNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)[S@](C)=O ZINC000481068520 484989897 /nfs/dbraw/zinc/98/98/97/484989897.db2.gz IIYNWIRPOVMQCY-FHOATMSYSA-N -1 0 374.444 -0.531 20 0 FBADRM C[C@H](CCNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)[S@@](C)=O ZINC000481068521 484989948 /nfs/dbraw/zinc/98/99/48/484989948.db2.gz IIYNWIRPOVMQCY-JRSYYBBYSA-N -1 0 374.444 -0.531 20 0 FBADRM C[C@H](CCNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)[S@](C)=O ZINC000481068523 484991113 /nfs/dbraw/zinc/99/11/13/484991113.db2.gz IIYNWIRPOVMQCY-MEFFNOMFSA-N -1 0 374.444 -0.531 20 0 FBADRM C[C@@H](CCNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)[S@@](C)=O ZINC000481068525 484990759 /nfs/dbraw/zinc/99/07/59/484990759.db2.gz IIYNWIRPOVMQCY-OTHYDSGKSA-N -1 0 374.444 -0.531 20 0 FBADRM CCn1ncnc1CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000481218736 484994575 /nfs/dbraw/zinc/99/45/75/484994575.db2.gz MIFNIBLAHACRAJ-UHFFFAOYSA-N -1 0 351.348 -0.474 20 0 FBADRM NS(=O)(=O)Nc1cccc(NC(=O)CNC(=O)c2ncccc2O)c1 ZINC000481528288 484999986 /nfs/dbraw/zinc/99/99/86/484999986.db2.gz VTKZFHOHKMDCMQ-UHFFFAOYSA-N -1 0 365.371 -0.229 20 0 FBADRM O=C(CNC(=O)c1ncccc1O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000481551001 484999163 /nfs/dbraw/zinc/99/91/63/484999163.db2.gz FKZIVHDZMGXCMN-UHFFFAOYSA-N -1 0 369.381 -0.103 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N=c1nc(-c2ccccc2)[nH]n1C ZINC000481556400 484999844 /nfs/dbraw/zinc/99/98/44/484999844.db2.gz IUCONPHVGAVLIS-UHFFFAOYSA-N -1 0 367.431 -0.202 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@H](CO)C3CCOCC3)cc-2c(=O)[n-]1 ZINC000481582780 485001101 /nfs/dbraw/zinc/00/11/01/485001101.db2.gz UQKIUVIPDGPFSH-LLVKDONJSA-N -1 0 370.387 -0.498 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@@H](CO)C3CCOCC3)cc-2c(=O)[n-]1 ZINC000481582781 485000829 /nfs/dbraw/zinc/00/08/29/485000829.db2.gz UQKIUVIPDGPFSH-NSHDSACASA-N -1 0 370.387 -0.498 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NC[C@@H](CO)[C@@H]3CCOC3)cc-2c(=O)[n-]1 ZINC000481586252 485001153 /nfs/dbraw/zinc/00/11/53/485001153.db2.gz XWTIOJUSUHZSMK-BDAKNGLRSA-N -1 0 370.387 -0.641 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NC[C@H](CO)[C@H]3CCOC3)cc-2c(=O)[n-]1 ZINC000481586256 485000687 /nfs/dbraw/zinc/00/06/87/485000687.db2.gz XWTIOJUSUHZSMK-DTWKUNHWSA-N -1 0 370.387 -0.641 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NC[C@@H](CO)[C@H]3CCOC3)cc-2c(=O)[n-]1 ZINC000481586259 485000900 /nfs/dbraw/zinc/00/09/00/485000900.db2.gz XWTIOJUSUHZSMK-IUCAKERBSA-N -1 0 370.387 -0.641 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NC[C@H](CO)[C@@H]3CCOC3)cc-2c(=O)[n-]1 ZINC000481586260 485001051 /nfs/dbraw/zinc/00/10/51/485001051.db2.gz XWTIOJUSUHZSMK-RKDXNWHRSA-N -1 0 370.387 -0.641 20 0 FBADRM Cc1nn2c(SC[C@@H]3CCCN(S(C)(=O)=O)C3)n[n-]c2nc1=O ZINC000481767948 485004153 /nfs/dbraw/zinc/00/41/53/485004153.db2.gz LWCFQGHZBXVAQQ-SECBINFHSA-N -1 0 358.449 -0.115 20 0 FBADRM Cc1nn2c(SC[C@H]3CCCN(S(C)(=O)=O)C3)n[n-]c2nc1=O ZINC000481767950 485004806 /nfs/dbraw/zinc/00/48/06/485004806.db2.gz LWCFQGHZBXVAQQ-VIFPVBQESA-N -1 0 358.449 -0.115 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nc(OC)n[nH]2)cc1C ZINC000481814174 485006410 /nfs/dbraw/zinc/00/64/10/485006410.db2.gz KEEZIKWKZYIRAT-UHFFFAOYSA-N -1 0 361.405 -0.169 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nc3ncccn3n2)cn1 ZINC000481819799 484468451 /nfs/dbraw/zinc/46/84/51/484468451.db2.gz PLMVKADQYRBYCY-UHFFFAOYSA-N -1 0 354.373 -0.276 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ncc(C(N)=O)s2)cn1 ZINC000481823543 485006147 /nfs/dbraw/zinc/00/61/47/485006147.db2.gz KNBNFHNEIRGZJA-UHFFFAOYSA-N -1 0 362.414 -0.159 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccnc3ncnn32)cn1 ZINC000481859238 485005784 /nfs/dbraw/zinc/00/57/84/485005784.db2.gz LFDCKPPYUOXIOZ-UHFFFAOYSA-N -1 0 354.373 -0.276 20 0 FBADRM COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)cn1 ZINC000481860289 484294765 /nfs/dbraw/zinc/29/47/65/484294765.db2.gz HLRBNIOMMFMBLX-UHFFFAOYSA-N -1 0 372.384 -0.138 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cc([C@H]3CCCO3)[nH]n2)c(=O)n(C)c1=O ZINC000481865482 485005941 /nfs/dbraw/zinc/00/59/41/485005941.db2.gz QKRSXOYLWJAYHG-SECBINFHSA-N -1 0 355.376 -0.541 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cc([C@@H]3CCCO3)[nH]n2)c(=O)n(C)c1=O ZINC000481865484 485005717 /nfs/dbraw/zinc/00/57/17/485005717.db2.gz QKRSXOYLWJAYHG-VIFPVBQESA-N -1 0 355.376 -0.541 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NCC(=O)NCC2CC2)cn1C ZINC000482073499 485010109 /nfs/dbraw/zinc/01/01/09/485010109.db2.gz KGADLXNGTOARIB-UHFFFAOYSA-N -1 0 357.436 -0.961 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N(C)[C@H](C)CS(C)(=O)=O ZINC000482083323 485010513 /nfs/dbraw/zinc/01/05/13/485010513.db2.gz MBNNZCNEXMYJQD-MRVPVSSYSA-N -1 0 353.422 -0.360 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N(C)[C@@H](C)CS(C)(=O)=O ZINC000482083324 485010092 /nfs/dbraw/zinc/01/00/92/485010092.db2.gz MBNNZCNEXMYJQD-QMMMGPOBSA-N -1 0 353.422 -0.360 20 0 FBADRM CN(Cc1cc[nH]n1)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000482101167 485010468 /nfs/dbraw/zinc/01/04/68/485010468.db2.gz JDXMPSDPKPMJFQ-UHFFFAOYSA-N -1 0 350.360 -0.422 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)C(F)F)o1 ZINC000482127116 485010620 /nfs/dbraw/zinc/01/06/20/485010620.db2.gz OCIAKQDDPTXXKZ-UHFFFAOYSA-N -1 0 361.273 -0.327 20 0 FBADRM O=C(CN1CC(=O)NC1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000482131077 485010485 /nfs/dbraw/zinc/01/04/85/485010485.db2.gz WDHOXTLKCDVBGD-UHFFFAOYSA-N -1 0 367.387 -0.644 20 0 FBADRM CN(C)C(=O)COC1CN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C1 ZINC000482234144 485012506 /nfs/dbraw/zinc/01/25/06/485012506.db2.gz KFOZWPJGXUQGAY-UHFFFAOYSA-N -1 0 355.416 -0.013 20 0 FBADRM Cc1cc(C(=O)N2CC(OCC(=O)N(C)C)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000482246672 485012593 /nfs/dbraw/zinc/01/25/93/485012593.db2.gz KOCVFWANXJWOBO-UHFFFAOYSA-N -1 0 361.358 -0.326 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H](C)CC(N)=O)cc2)[n-]1 ZINC000482302079 485014190 /nfs/dbraw/zinc/01/41/90/485014190.db2.gz XJIPTJAHKYTXEO-JTQLQIEISA-N -1 0 360.370 -0.125 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@H](C)CC(N)=O)cc2)[n-]1 ZINC000482302081 485014013 /nfs/dbraw/zinc/01/40/13/485014013.db2.gz XJIPTJAHKYTXEO-SNVBAGLBSA-N -1 0 360.370 -0.125 20 0 FBADRM CC(C)(NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)c1nnn[n-]1 ZINC000482371838 485015585 /nfs/dbraw/zinc/01/55/85/485015585.db2.gz XVNALNORXQFHCX-UHFFFAOYSA-N -1 0 373.421 -0.530 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@H](CCC(=O)OC)C(=O)OC)o1 ZINC000482666726 485018910 /nfs/dbraw/zinc/01/89/10/485018910.db2.gz UHJRYWBQBPOEOV-MRVPVSSYSA-N -1 0 362.360 -0.588 20 0 FBADRM COC[C@](C)(CCO)NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 ZINC000482671773 485019153 /nfs/dbraw/zinc/01/91/53/485019153.db2.gz JLXFJJUSNZHENG-AWEZNQCLSA-N -1 0 362.452 -0.699 20 0 FBADRM COC[C@@](C)(CCO)NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 ZINC000482671777 485018293 /nfs/dbraw/zinc/01/82/93/485018293.db2.gz JLXFJJUSNZHENG-CQSZACIVSA-N -1 0 362.452 -0.699 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N[C@H](CCC(=O)OC)C(=O)OC)co1 ZINC000482675796 485019028 /nfs/dbraw/zinc/01/90/28/485019028.db2.gz IQZPJUZROSUAKI-SECBINFHSA-N -1 0 362.360 -0.588 20 0 FBADRM COC(=O)CC[C@@H](NC(=O)c1cncc(NS(C)(=O)=O)c1)C(=O)OC ZINC000482676780 485018548 /nfs/dbraw/zinc/01/85/48/485018548.db2.gz UOKNSTDEGDIKLW-LLVKDONJSA-N -1 0 373.387 -0.322 20 0 FBADRM O=C(NCCS(=O)(=O)NC1CC1)NCc1nc(C(F)(F)F)n[nH]1 ZINC000482856247 485023494 /nfs/dbraw/zinc/02/34/94/485023494.db2.gz LSRSPACQQNHNOM-UHFFFAOYSA-N -1 0 356.330 -0.296 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000482922789 485025247 /nfs/dbraw/zinc/02/52/47/485025247.db2.gz UVVCOFDJTRRRMT-UHFFFAOYSA-N -1 0 358.346 -0.050 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCC(=O)NCC(F)F)c1 ZINC000482940050 485025532 /nfs/dbraw/zinc/02/55/32/485025532.db2.gz ZUMQAISTFMNAKO-UHFFFAOYSA-N -1 0 365.358 -0.246 20 0 FBADRM O=C(NCCNC(=O)c1cnccn1)NCc1nc(C(F)(F)F)n[nH]1 ZINC000482975271 485025451 /nfs/dbraw/zinc/02/54/51/485025451.db2.gz VPOJFCGNLHYHQW-UHFFFAOYSA-N -1 0 358.284 -0.157 20 0 FBADRM CC(C)N(CCCNC(=O)CSc1n[nH]c(=O)[n-]1)S(C)(=O)=O ZINC000482987489 485027348 /nfs/dbraw/zinc/02/73/48/485027348.db2.gz ILZCDVTYGYWAJV-UHFFFAOYSA-N -1 0 351.454 -0.221 20 0 FBADRM CCOCCOC[C@@H](O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000483011261 485026658 /nfs/dbraw/zinc/02/66/58/485026658.db2.gz HWTUFFSQVWQCRD-JTQLQIEISA-N -1 0 366.374 -0.112 20 0 FBADRM CCOCCOC[C@H](O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000483011269 485026833 /nfs/dbraw/zinc/02/68/33/485026833.db2.gz HWTUFFSQVWQCRD-SNVBAGLBSA-N -1 0 366.374 -0.112 20 0 FBADRM COCc1ncc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)c(N)n1 ZINC000483219131 484516389 /nfs/dbraw/zinc/51/63/89/484516389.db2.gz HIYCOLUZBDQCFL-UHFFFAOYSA-N -1 0 359.393 -0.320 20 0 FBADRM CCOCCOC[C@@H](O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000483379097 485039084 /nfs/dbraw/zinc/03/90/84/485039084.db2.gz MKOOYTDKELNPMK-JTQLQIEISA-N -1 0 352.347 -0.420 20 0 FBADRM CCOCCOC[C@H](O)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000483379108 485038680 /nfs/dbraw/zinc/03/86/80/485038680.db2.gz MKOOYTDKELNPMK-SNVBAGLBSA-N -1 0 352.347 -0.420 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)c2cnc([O-])n(C)c2=O)c1C ZINC000483589238 485043161 /nfs/dbraw/zinc/04/31/61/485043161.db2.gz HVSBBRDTXVTESD-UHFFFAOYSA-N -1 0 352.372 -0.045 20 0 FBADRM CC(=O)Nc1ncccc1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000484014522 485053797 /nfs/dbraw/zinc/05/37/97/485053797.db2.gz VMMCCFWVQYSCTP-UHFFFAOYSA-N -1 0 353.360 -0.762 20 0 FBADRM Cn1ccnc(N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)c1=O ZINC000484035234 485053535 /nfs/dbraw/zinc/05/35/35/485053535.db2.gz CHKFFBWQUDQLCM-UHFFFAOYSA-N -1 0 369.369 -0.265 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)CSc2n[nH]c(=O)[n-]2)cc1 ZINC000484076163 485055085 /nfs/dbraw/zinc/05/50/85/485055085.db2.gz SWNLEBPUKZLJJU-UHFFFAOYSA-N -1 0 357.417 -0.391 20 0 FBADRM Cc1cn(-c2cccc(NC(=O)C(=O)NCc3n[nH]c(=O)[n-]3)c2)c(=O)[nH]1 ZINC000484187322 485056539 /nfs/dbraw/zinc/05/65/39/485056539.db2.gz JMMRTEHPRQLLDP-UHFFFAOYSA-N -1 0 357.330 -0.035 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCN1CCN(c2ncccn2)CC1 ZINC000484242371 485059295 /nfs/dbraw/zinc/05/92/95/485059295.db2.gz CEAKHPFTZSGDTP-UHFFFAOYSA-N -1 0 364.435 -0.669 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000484278435 485058706 /nfs/dbraw/zinc/05/87/06/485058706.db2.gz UJQOXMZNKPSQNT-UHFFFAOYSA-N -1 0 368.419 -0.027 20 0 FBADRM O=C([C@@H]1C[C@@H](F)CN1S(=O)(=O)[N-]CC(F)(F)F)N1CCOCC1 ZINC000484447542 485065002 /nfs/dbraw/zinc/06/50/02/485065002.db2.gz RWVBQBIYACPKMJ-BDAKNGLRSA-N -1 0 363.333 -0.346 20 0 FBADRM Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3cccc(-n4cnnn4)c3)nc2n1 ZINC000484476592 485066243 /nfs/dbraw/zinc/06/62/43/485066243.db2.gz POLLILXPRBSGFV-UHFFFAOYSA-N -1 0 373.358 -0.497 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000484559572 485067508 /nfs/dbraw/zinc/06/75/08/485067508.db2.gz UVCXHOYUMGKNNL-UHFFFAOYSA-N -1 0 355.401 -0.161 20 0 FBADRM CCNC(=O)NCCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000484591948 485068491 /nfs/dbraw/zinc/06/84/91/485068491.db2.gz PWIAGEPHHSDRJY-UHFFFAOYSA-N -1 0 364.374 -0.322 20 0 FBADRM COC[C@H](CO)NC(=O)C(=O)N=c1nc(-c2cccc(OC)c2)[n-]s1 ZINC000484976398 485075545 /nfs/dbraw/zinc/07/55/45/485075545.db2.gz VJECTQYQCVILPL-JTQLQIEISA-N -1 0 366.399 -0.302 20 0 FBADRM COC[C@@H](CO)NC(=O)C(=O)N=c1nc(-c2cccc(OC)c2)[n-]s1 ZINC000484976401 485075355 /nfs/dbraw/zinc/07/53/55/485075355.db2.gz VJECTQYQCVILPL-SNVBAGLBSA-N -1 0 366.399 -0.302 20 0 FBADRM Cc1cc(C)n2[n-]c(=NC(=O)N3CCN(c4nc(N)ns4)CC3)nc2n1 ZINC000484985038 484544364 /nfs/dbraw/zinc/54/43/64/484544364.db2.gz HBOBIHSRPZWHRB-UHFFFAOYSA-N -1 0 374.434 -0.049 20 0 FBADRM COc1cccc(-c2nc(=NC(=O)C(=O)NC[C@](C)(O)CO)s[n-]2)c1 ZINC000485025194 485077711 /nfs/dbraw/zinc/07/77/11/485077711.db2.gz OCICBIJPODIJAU-HNNXBMFYSA-N -1 0 366.399 -0.566 20 0 FBADRM COc1cccc(-c2nc(=NC(=O)C(=O)NC[C@@](C)(O)CO)s[n-]2)c1 ZINC000485025197 485078164 /nfs/dbraw/zinc/07/81/64/485078164.db2.gz OCICBIJPODIJAU-OAHLLOKOSA-N -1 0 366.399 -0.566 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]c1cccc(C(=O)NCCC(N)=O)c1 ZINC000485076986 485079812 /nfs/dbraw/zinc/07/98/12/485079812.db2.gz IIQCWKCGPJFOQK-UHFFFAOYSA-N -1 0 351.388 -0.174 20 0 FBADRM Cn1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCC(N)=O)c2)n1 ZINC000485082155 485080046 /nfs/dbraw/zinc/08/00/46/485080046.db2.gz XNCPHWSZZBLASM-UHFFFAOYSA-N -1 0 351.388 -0.174 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]c2cccc(C(=O)NCCC(N)=O)c2)c1 ZINC000485082646 485079932 /nfs/dbraw/zinc/07/99/32/485079932.db2.gz ZEHMZJLMAHHLBM-UHFFFAOYSA-N -1 0 351.388 -0.174 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]c2cc(C(=O)NCCC(N)=O)ccc2F)c1 ZINC000485097399 485080162 /nfs/dbraw/zinc/08/01/62/485080162.db2.gz FLVYVNLKQRZRHD-UHFFFAOYSA-N -1 0 369.378 -0.035 20 0 FBADRM Cn1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCC(N)=O)ccc2F)n1 ZINC000485104714 485079882 /nfs/dbraw/zinc/07/98/82/485079882.db2.gz XOLNOJAWDIAKKQ-UHFFFAOYSA-N -1 0 369.378 -0.035 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cccc(C(=O)NCCC(N)=O)c2)cn1 ZINC000485165101 485082016 /nfs/dbraw/zinc/08/20/16/485082016.db2.gz LRFXXLJKBJYLHT-UHFFFAOYSA-N -1 0 351.388 -0.174 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000485303567 485084998 /nfs/dbraw/zinc/08/49/98/485084998.db2.gz XYCQAYLINUHCCG-GARJFASQSA-N -1 0 351.425 -0.748 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000485303575 485085146 /nfs/dbraw/zinc/08/51/46/485085146.db2.gz XYCQAYLINUHCCG-GMTAPVOTSA-N -1 0 351.425 -0.748 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000485303577 485085232 /nfs/dbraw/zinc/08/52/32/485085232.db2.gz XYCQAYLINUHCCG-HBNTYKKESA-N -1 0 351.425 -0.748 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000485303580 485084926 /nfs/dbraw/zinc/08/49/26/485084926.db2.gz XYCQAYLINUHCCG-OUAUKWLOSA-N -1 0 351.425 -0.748 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000485336702 485084560 /nfs/dbraw/zinc/08/45/60/485084560.db2.gz IFOLCTCUINMLIX-UHFFFAOYSA-N -1 0 359.342 -0.239 20 0 FBADRM CCN(CC(=O)[O-])C(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O ZINC000485339801 485085033 /nfs/dbraw/zinc/08/50/33/485085033.db2.gz FSMCMGOHVMUUPE-UHFFFAOYSA-N -1 0 373.431 -0.188 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC(C)(C)C(=O)[O-])c1 ZINC000485383800 485086071 /nfs/dbraw/zinc/08/60/71/485086071.db2.gz VQTMSXBJHBETBY-UHFFFAOYSA-N -1 0 373.431 -0.142 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000485389382 485085838 /nfs/dbraw/zinc/08/58/38/485085838.db2.gz YTBGHOXQTOWWAD-UHFFFAOYSA-N -1 0 359.389 -0.103 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cncnc2-n2cccn2)cn1 ZINC000485454293 485087886 /nfs/dbraw/zinc/08/78/86/485087886.db2.gz WUUGEEZYMQBJNM-UHFFFAOYSA-N -1 0 363.359 -0.167 20 0 FBADRM CN(CC(=O)[O-])C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000485462322 485087105 /nfs/dbraw/zinc/08/71/05/485087105.db2.gz CHUSXQTXJUCROX-GRYCIOLGSA-N -1 0 360.432 -0.361 20 0 FBADRM CN(CC(=O)[O-])C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000485462324 485087830 /nfs/dbraw/zinc/08/78/30/485087830.db2.gz CHUSXQTXJUCROX-IJLUTSLNSA-N -1 0 360.432 -0.361 20 0 FBADRM CN(CC(=O)[O-])C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000485462326 485087463 /nfs/dbraw/zinc/08/74/63/485087463.db2.gz CHUSXQTXJUCROX-QJPTWQEYSA-N -1 0 360.432 -0.361 20 0 FBADRM CN(CC(=O)[O-])C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000485462329 485087780 /nfs/dbraw/zinc/08/77/80/485087780.db2.gz CHUSXQTXJUCROX-SDDRHHMPSA-N -1 0 360.432 -0.361 20 0 FBADRM CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCC(=O)[O-] ZINC000485540705 485090866 /nfs/dbraw/zinc/09/08/66/485090866.db2.gz HXBNFQHTRSABJO-CQSZACIVSA-N -1 0 372.399 -0.039 20 0 FBADRM COCCO[C@H]1COCC[C@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000485611561 485091604 /nfs/dbraw/zinc/09/16/04/485091604.db2.gz WHDUZTWCDLPSRS-NEPJUHHUSA-N -1 0 364.358 -0.014 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000485611563 485092112 /nfs/dbraw/zinc/09/21/12/485092112.db2.gz WHDUZTWCDLPSRS-NWDGAFQWSA-N -1 0 364.358 -0.014 20 0 FBADRM COCCO[C@H]1COCC[C@@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000485611565 485091804 /nfs/dbraw/zinc/09/18/04/485091804.db2.gz WHDUZTWCDLPSRS-RYUDHWBXSA-N -1 0 364.358 -0.014 20 0 FBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000485611567 485092135 /nfs/dbraw/zinc/09/21/35/485092135.db2.gz WHDUZTWCDLPSRS-VXGBXAGGSA-N -1 0 364.358 -0.014 20 0 FBADRM O=C([O-])c1cc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)ccn1 ZINC000485649076 485093365 /nfs/dbraw/zinc/09/33/65/485093365.db2.gz GIXGLNLHULOPOQ-UHFFFAOYSA-N -1 0 360.370 -0.313 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000485663390 485093578 /nfs/dbraw/zinc/09/35/78/485093578.db2.gz QVMHHCXSZRJMRI-GHMZBOCLSA-N -1 0 355.372 -0.630 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC000485663391 485093539 /nfs/dbraw/zinc/09/35/39/485093539.db2.gz QVMHHCXSZRJMRI-MNOVXSKESA-N -1 0 355.372 -0.630 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC000485663392 485094036 /nfs/dbraw/zinc/09/40/36/485094036.db2.gz QVMHHCXSZRJMRI-QWRGUYRKSA-N -1 0 355.372 -0.630 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000485663393 485093642 /nfs/dbraw/zinc/09/36/42/485093642.db2.gz QVMHHCXSZRJMRI-WDEREUQCSA-N -1 0 355.372 -0.630 20 0 FBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)c2cccc(C(=O)[O-])n2)cc1 ZINC000485673919 485093861 /nfs/dbraw/zinc/09/38/61/485093861.db2.gz QNDCOBZDUDBJAO-UHFFFAOYSA-N -1 0 356.338 -0.075 20 0 FBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)c2ccnc(C(=O)[O-])c2)cc1 ZINC000485676051 485093974 /nfs/dbraw/zinc/09/39/74/485093974.db2.gz VTBLAUSQBMXHME-UHFFFAOYSA-N -1 0 356.338 -0.075 20 0 FBADRM O=C([O-])c1cc(C(=O)NCCNS(=O)(=O)Cc2ccon2)ccn1 ZINC000485724485 485095180 /nfs/dbraw/zinc/09/51/80/485095180.db2.gz LKYNMYCVSNXWDW-UHFFFAOYSA-N -1 0 354.344 -0.383 20 0 FBADRM O=C([O-])c1cccc(C(=O)NCCNS(=O)(=O)Cc2ccon2)n1 ZINC000485727103 485094822 /nfs/dbraw/zinc/09/48/22/485094822.db2.gz UWWKMFOHEQLKQC-UHFFFAOYSA-N -1 0 354.344 -0.383 20 0 FBADRM Cn1c(=O)ccn(CC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])c1=O ZINC000485796245 599949136 /nfs/dbraw/zinc/94/91/36/599949136.db2.gz SYQNNTKFSGAMHQ-GFCCVEGCSA-N -1 0 363.345 -0.254 20 0 FBADRM Cn1c(=O)ccn(CC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])c1=O ZINC000485796246 599949103 /nfs/dbraw/zinc/94/91/03/599949103.db2.gz SYQNNTKFSGAMHQ-LBPRGKRZSA-N -1 0 363.345 -0.254 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000485836699 485096089 /nfs/dbraw/zinc/09/60/89/485096089.db2.gz WFXOBRZEOCXVDK-AAEUAGOBSA-N -1 0 356.400 -0.026 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000485836701 485095866 /nfs/dbraw/zinc/09/58/66/485095866.db2.gz WFXOBRZEOCXVDK-DGCLKSJQSA-N -1 0 356.400 -0.026 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000485836702 485096193 /nfs/dbraw/zinc/09/61/93/485096193.db2.gz WFXOBRZEOCXVDK-WCQYABFASA-N -1 0 356.400 -0.026 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000485836703 485095594 /nfs/dbraw/zinc/09/55/94/485095594.db2.gz WFXOBRZEOCXVDK-YPMHNXCESA-N -1 0 356.400 -0.026 20 0 FBADRM Cn1c(=O)[nH]cc(C(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)c1=O ZINC000485849682 485095874 /nfs/dbraw/zinc/09/58/74/485095874.db2.gz RSEQAILTUWCCKL-UHFFFAOYSA-N -1 0 360.326 -0.519 20 0 FBADRM C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000485868682 485096350 /nfs/dbraw/zinc/09/63/50/485096350.db2.gz CUHMGKFOVKVPAS-IRCOFANPSA-N -1 0 360.432 -0.315 20 0 FBADRM C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000485868683 485095932 /nfs/dbraw/zinc/09/59/32/485095932.db2.gz CUHMGKFOVKVPAS-NNYUYHANSA-N -1 0 360.432 -0.315 20 0 FBADRM C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000485868684 485095729 /nfs/dbraw/zinc/09/57/29/485095729.db2.gz CUHMGKFOVKVPAS-QCNOEVLYSA-N -1 0 360.432 -0.315 20 0 FBADRM C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000485868685 485096929 /nfs/dbraw/zinc/09/69/29/485096929.db2.gz CUHMGKFOVKVPAS-YFKTTZPYSA-N -1 0 360.432 -0.315 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H](C)CC(=O)[O-])c1 ZINC000485878802 485097314 /nfs/dbraw/zinc/09/73/14/485097314.db2.gz DNTLEYQCOSSGCR-LLVKDONJSA-N -1 0 373.431 -0.142 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H](C)CC(=O)[O-])c1 ZINC000485878805 485097485 /nfs/dbraw/zinc/09/74/85/485097485.db2.gz DNTLEYQCOSSGCR-NSHDSACASA-N -1 0 373.431 -0.142 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000485883796 484473715 /nfs/dbraw/zinc/47/37/15/484473715.db2.gz ORWNZRFHDLCABR-MRVPVSSYSA-N -1 0 371.375 -0.122 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000485883797 484473230 /nfs/dbraw/zinc/47/32/30/484473230.db2.gz ORWNZRFHDLCABR-QMMMGPOBSA-N -1 0 371.375 -0.122 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000485890191 484438031 /nfs/dbraw/zinc/43/80/31/484438031.db2.gz RSMJVFNWIJHVPR-UHFFFAOYSA-N -1 0 354.344 -0.124 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)CCC(=O)[O-])c1 ZINC000485891201 485096964 /nfs/dbraw/zinc/09/69/64/485096964.db2.gz AXMZYXGHNXVKMF-UHFFFAOYSA-N -1 0 373.431 -0.188 20 0 FBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000485904155 484428611 /nfs/dbraw/zinc/42/86/11/484428611.db2.gz FHBDCXFYUYRANG-SECBINFHSA-N -1 0 364.449 -0.033 20 0 FBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000485904156 484428741 /nfs/dbraw/zinc/42/87/41/484428741.db2.gz FHBDCXFYUYRANG-VIFPVBQESA-N -1 0 364.449 -0.033 20 0 FBADRM C[C@H](CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000485921592 485097058 /nfs/dbraw/zinc/09/70/58/485097058.db2.gz FQKUNNYHDHENHC-FDYHWXHSSA-N -1 0 374.459 -0.067 20 0 FBADRM C[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000485921593 485097106 /nfs/dbraw/zinc/09/71/06/485097106.db2.gz FQKUNNYHDHENHC-LPWJVIDDSA-N -1 0 374.459 -0.067 20 0 FBADRM C[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000485921595 485097001 /nfs/dbraw/zinc/09/70/01/485097001.db2.gz FQKUNNYHDHENHC-XQHKEYJVSA-N -1 0 374.459 -0.067 20 0 FBADRM C[C@H](CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000485921597 485097090 /nfs/dbraw/zinc/09/70/90/485097090.db2.gz FQKUNNYHDHENHC-YVECIDJPSA-N -1 0 374.459 -0.067 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000485943843 485098198 /nfs/dbraw/zinc/09/81/98/485098198.db2.gz VYNLJBMRUUKKLX-LLVKDONJSA-N -1 0 373.431 -0.284 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000485943844 485098255 /nfs/dbraw/zinc/09/82/55/485098255.db2.gz VYNLJBMRUUKKLX-NSHDSACASA-N -1 0 373.431 -0.284 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000485966981 485098500 /nfs/dbraw/zinc/09/85/00/485098500.db2.gz PHSDSXZPTRWIEN-JTQLQIEISA-N -1 0 359.404 -0.532 20 0 FBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000485979330 485099020 /nfs/dbraw/zinc/09/90/20/485099020.db2.gz NIFDPLPJOWFHBY-LLVKDONJSA-N -1 0 372.385 -0.528 20 0 FBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000485979333 485099170 /nfs/dbraw/zinc/09/91/70/485099170.db2.gz NIFDPLPJOWFHBY-NSHDSACASA-N -1 0 372.385 -0.528 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)N1CCSC[C@H]1CC(=O)[O-])c2=O ZINC000486003424 600668914 /nfs/dbraw/zinc/66/89/14/600668914.db2.gz JRMXNNPIUVRJTC-SECBINFHSA-N -1 0 351.388 -0.451 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)N1CCSC[C@@H]1CC(=O)[O-])c2=O ZINC000486003428 600669050 /nfs/dbraw/zinc/66/90/50/600669050.db2.gz JRMXNNPIUVRJTC-VIFPVBQESA-N -1 0 351.388 -0.451 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000486059126 485100778 /nfs/dbraw/zinc/10/07/78/485100778.db2.gz CPNWQGKHYBBYJK-AAEUAGOBSA-N -1 0 356.400 -0.026 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000486059128 485100801 /nfs/dbraw/zinc/10/08/01/485100801.db2.gz CPNWQGKHYBBYJK-DGCLKSJQSA-N -1 0 356.400 -0.026 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000486059129 485100600 /nfs/dbraw/zinc/10/06/00/485100600.db2.gz CPNWQGKHYBBYJK-WCQYABFASA-N -1 0 356.400 -0.026 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000486059131 485100683 /nfs/dbraw/zinc/10/06/83/485100683.db2.gz CPNWQGKHYBBYJK-YPMHNXCESA-N -1 0 356.400 -0.026 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O ZINC000486063163 485100156 /nfs/dbraw/zinc/10/01/56/485100156.db2.gz NVABSSJIRDEEQR-AWEZNQCLSA-N -1 0 371.349 -0.064 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O ZINC000486063165 485100443 /nfs/dbraw/zinc/10/04/43/485100443.db2.gz NVABSSJIRDEEQR-CQSZACIVSA-N -1 0 371.349 -0.064 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000486169401 485102092 /nfs/dbraw/zinc/10/20/92/485102092.db2.gz WNBYETOMSQUQNU-GFCCVEGCSA-N -1 0 353.350 -0.563 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000486169402 485101370 /nfs/dbraw/zinc/10/13/70/485101370.db2.gz WNBYETOMSQUQNU-LBPRGKRZSA-N -1 0 353.350 -0.563 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)Cn2nc3ccccn3c2=O)cc1 ZINC000486193242 485101413 /nfs/dbraw/zinc/10/14/13/485101413.db2.gz NQHNABWGBKSTDJ-UHFFFAOYSA-N -1 0 369.337 -0.051 20 0 FBADRM Cn1c(=O)[nH]cc(C(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)c1=O ZINC000486203181 485101679 /nfs/dbraw/zinc/10/16/79/485101679.db2.gz JALQBUSOIBRUQQ-UHFFFAOYSA-N -1 0 360.326 -0.057 20 0 FBADRM CC[C@@H](NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)C(=O)[O-] ZINC000486208146 485101733 /nfs/dbraw/zinc/10/17/33/485101733.db2.gz WXGZRUCPJZRPRD-GFCCVEGCSA-N -1 0 373.431 -0.142 20 0 FBADRM CC[C@H](NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)C(=O)[O-] ZINC000486208147 485101647 /nfs/dbraw/zinc/10/16/47/485101647.db2.gz WXGZRUCPJZRPRD-LBPRGKRZSA-N -1 0 373.431 -0.142 20 0 FBADRM CN(Cc1ccccc1S(N)(=O)=O)C(=O)c1cnc([O-])n(C)c1=O ZINC000486249458 485103435 /nfs/dbraw/zinc/10/34/35/485103435.db2.gz JEQDLBDMRCLLGA-UHFFFAOYSA-N -1 0 352.372 -0.595 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCNC(=O)CC3)cc2)[n-]1 ZINC000486300597 485104495 /nfs/dbraw/zinc/10/44/95/485104495.db2.gz LZHRBPAUHUJPBO-UHFFFAOYSA-N -1 0 372.381 -0.157 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000486306911 485104597 /nfs/dbraw/zinc/10/45/97/485104597.db2.gz FWDYSCOWAQYUBF-LLVKDONJSA-N -1 0 356.400 -0.209 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000486306912 485104018 /nfs/dbraw/zinc/10/40/18/485104018.db2.gz FWDYSCOWAQYUBF-NSHDSACASA-N -1 0 356.400 -0.209 20 0 FBADRM CS(=O)(=O)c1cc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc(C(=O)[O-])c1 ZINC000486321052 602255407 /nfs/dbraw/zinc/25/54/07/602255407.db2.gz RCZQALDGQKAUCH-UHFFFAOYSA-N -1 0 367.339 -0.311 20 0 FBADRM O=C(CNC(=O)c1nn(-c2ccccc2)cc1[O-])NCCN1CCOCC1 ZINC000486340765 485106027 /nfs/dbraw/zinc/10/60/27/485106027.db2.gz ZFGOBODUWXWODL-UHFFFAOYSA-N -1 0 373.413 -0.244 20 0 FBADRM Cn1c(=O)[nH]cc(C(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)c1=O ZINC000486353902 485105465 /nfs/dbraw/zinc/10/54/65/485105465.db2.gz NJLAJZOUQPGHTC-UHFFFAOYSA-N -1 0 367.339 -0.160 20 0 FBADRM C[C@@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000486384465 485105400 /nfs/dbraw/zinc/10/54/00/485105400.db2.gz CUHMGKFOVKVPAS-DDHJBXDOSA-N -1 0 360.432 -0.315 20 0 FBADRM C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000486384466 485105818 /nfs/dbraw/zinc/10/58/18/485105818.db2.gz CUHMGKFOVKVPAS-KKOKHZNYSA-N -1 0 360.432 -0.315 20 0 FBADRM C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000486384467 485105965 /nfs/dbraw/zinc/10/59/65/485105965.db2.gz CUHMGKFOVKVPAS-KXNHARMFSA-N -1 0 360.432 -0.315 20 0 FBADRM C[C@@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000486384468 485105737 /nfs/dbraw/zinc/10/57/37/485105737.db2.gz CUHMGKFOVKVPAS-WRWGMCAJSA-N -1 0 360.432 -0.315 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)NCc1cccc(OCC(=O)[O-])c1)c2=O ZINC000486391499 600575545 /nfs/dbraw/zinc/57/55/45/600575545.db2.gz CCXKLOGBZXCZIW-UHFFFAOYSA-N -1 0 371.353 -0.090 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H](C)C(=O)[O-])c1 ZINC000486395820 485106505 /nfs/dbraw/zinc/10/65/05/485106505.db2.gz PHSDSXZPTRWIEN-SNVBAGLBSA-N -1 0 359.404 -0.532 20 0 FBADRM O=C(NC1(c2nnn[n-]2)CCCC1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000486412816 485107539 /nfs/dbraw/zinc/10/75/39/485107539.db2.gz RVGXOQXLZMWHQZ-NWDGAFQWSA-N -1 0 364.406 -0.508 20 0 FBADRM Cn1cc(S(N)(=O)=O)cc1CC(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000486415927 485107194 /nfs/dbraw/zinc/10/71/94/485107194.db2.gz ZZGUKPPXRONLHU-UHFFFAOYSA-N -1 0 353.408 -0.686 20 0 FBADRM COCCc1cc([N-]S(=O)(=O)c2cnn(CC(=O)OC)c2)n(C)n1 ZINC000486568690 485111691 /nfs/dbraw/zinc/11/16/91/485111691.db2.gz UMGVWRIXDRVLAH-UHFFFAOYSA-N -1 0 357.392 -0.221 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(OC)cc(OC)c2)n1 ZINC000486600618 485111535 /nfs/dbraw/zinc/11/15/35/485111535.db2.gz LCVOXLNXBVMRSX-UHFFFAOYSA-N -1 0 355.376 -0.158 20 0 FBADRM CO[C@@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@H]1OC ZINC000486627805 485113070 /nfs/dbraw/zinc/11/30/70/485113070.db2.gz UUWWTTZHNNRBDX-NXEZZACHSA-N -1 0 356.360 -0.530 20 0 FBADRM CO[C@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@@H]1OC ZINC000486627940 485112987 /nfs/dbraw/zinc/11/29/87/485112987.db2.gz UUWWTTZHNNRBDX-UWVGGRQHSA-N -1 0 356.360 -0.530 20 0 FBADRM CCS(=O)(=O)N(C)CC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000486674400 485113556 /nfs/dbraw/zinc/11/35/56/485113556.db2.gz PBROPZOKBQPJLH-UHFFFAOYSA-N -1 0 357.439 -0.870 20 0 FBADRM COc1cc(C(=O)NCc2nnn(C)n2)cc([N-]S(C)(=O)=O)c1OC ZINC000486751382 485114352 /nfs/dbraw/zinc/11/43/52/485114352.db2.gz CIOQXJXDLBNLEY-UHFFFAOYSA-N -1 0 370.391 -0.471 20 0 FBADRM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1ncn(CC(=O)NC)n1 ZINC000486760425 485114821 /nfs/dbraw/zinc/11/48/21/485114821.db2.gz QRFCYDYCXPAGGK-UHFFFAOYSA-N -1 0 371.375 -0.233 20 0 FBADRM CCN(C(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O)[C@@H]1CC(=O)NC1=O ZINC000486823786 485115723 /nfs/dbraw/zinc/11/57/23/485115723.db2.gz MZUOYZYNHYJCRD-LLVKDONJSA-N -1 0 370.369 -0.246 20 0 FBADRM CCN(C(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O)[C@H]1CC(=O)NC1=O ZINC000486823788 485115642 /nfs/dbraw/zinc/11/56/42/485115642.db2.gz MZUOYZYNHYJCRD-NSHDSACASA-N -1 0 370.369 -0.246 20 0 FBADRM COCCN([C@@H]1CCOC1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000486829978 485116853 /nfs/dbraw/zinc/11/68/53/485116853.db2.gz YMYUOCRKJFMZHY-SECBINFHSA-N -1 0 370.387 -0.138 20 0 FBADRM COCCN([C@H]1CCOC1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000486829992 485116587 /nfs/dbraw/zinc/11/65/87/485116587.db2.gz YMYUOCRKJFMZHY-VIFPVBQESA-N -1 0 370.387 -0.138 20 0 FBADRM Cn1nnc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)n1 ZINC000486860113 485116624 /nfs/dbraw/zinc/11/66/24/485116624.db2.gz YPHGPIKGAZSFDJ-UHFFFAOYSA-N -1 0 372.432 -0.871 20 0 FBADRM CN(C)S(=O)(=O)C[C@@H](NC(=O)NCc1n[nH]c(=O)[n-]1)C(F)(F)F ZINC000486938433 485117540 /nfs/dbraw/zinc/11/75/40/485117540.db2.gz SNMKSSDFRWFODN-RXMQYKEDSA-N -1 0 360.318 -0.868 20 0 FBADRM CN(C)S(=O)(=O)C[C@H](NC(=O)NCc1n[nH]c(=O)[n-]1)C(F)(F)F ZINC000486938451 485117741 /nfs/dbraw/zinc/11/77/41/485117741.db2.gz SNMKSSDFRWFODN-YFKPBYRVSA-N -1 0 360.318 -0.868 20 0 FBADRM CNC(=O)c1ccc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)cn1 ZINC000486974795 485118480 /nfs/dbraw/zinc/11/84/80/485118480.db2.gz HWBFZUQYVVPBMU-UHFFFAOYSA-N -1 0 356.389 -0.084 20 0 FBADRM CCS(=O)(=O)N(C)CC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000487052958 485120252 /nfs/dbraw/zinc/12/02/52/485120252.db2.gz ZFNQGWUUUDCNSZ-UHFFFAOYSA-N -1 0 355.420 -0.051 20 0 FBADRM C[C@H](CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)c1nnn[n-]1 ZINC000487107799 485122282 /nfs/dbraw/zinc/12/22/82/485122282.db2.gz DCICABOYJJSSFS-GRYCIOLGSA-N -1 0 352.395 -0.832 20 0 FBADRM C[C@@H](CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)c1nnn[n-]1 ZINC000487107800 485122406 /nfs/dbraw/zinc/12/24/06/485122406.db2.gz DCICABOYJJSSFS-SDDRHHMPSA-N -1 0 352.395 -0.832 20 0 FBADRM Cn1nncc1CNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000487254686 485123989 /nfs/dbraw/zinc/12/39/89/485123989.db2.gz ZNGKMIPEINZVMP-UHFFFAOYSA-N -1 0 353.360 -0.892 20 0 FBADRM Cn1nncc1CNS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000487276491 485124555 /nfs/dbraw/zinc/12/45/55/485124555.db2.gz YOIAKFYSQHTUSU-UHFFFAOYSA-N -1 0 354.344 -0.237 20 0 FBADRM CC(C)[C@H](O)C(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000487371565 485126859 /nfs/dbraw/zinc/12/68/59/485126859.db2.gz SDMWHVMUKUWXRN-JTQLQIEISA-N -1 0 361.386 -0.019 20 0 FBADRM CC(C)[C@H](O)C(=O)NC1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000487375262 485126628 /nfs/dbraw/zinc/12/66/28/485126628.db2.gz FDXDAOIPJBXOEE-JTQLQIEISA-N -1 0 361.386 -0.019 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@H]2CCCS(=O)(=O)C2)cc1C(=O)[O-] ZINC000487394371 485126760 /nfs/dbraw/zinc/12/67/60/485126760.db2.gz VRCRJUYQFSGOLF-SECBINFHSA-N -1 0 350.418 -0.174 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@@H]2CCCS(=O)(=O)C2)cc1C(=O)[O-] ZINC000487394383 485126872 /nfs/dbraw/zinc/12/68/72/485126872.db2.gz VRCRJUYQFSGOLF-VIFPVBQESA-N -1 0 350.418 -0.174 20 0 FBADRM CC(C)[C@@H](NS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2)C(N)=O ZINC000487404991 485127406 /nfs/dbraw/zinc/12/74/06/485127406.db2.gz LOVDGPJWOGTSCP-LLVKDONJSA-N -1 0 358.372 -0.056 20 0 FBADRM C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000487406012 485127280 /nfs/dbraw/zinc/12/72/80/485127280.db2.gz DSYMWTMYJGZKGQ-HTQZYQBOSA-N -1 0 367.387 -0.290 20 0 FBADRM C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000487406014 485128013 /nfs/dbraw/zinc/12/80/13/485128013.db2.gz DSYMWTMYJGZKGQ-JGVFFNPUSA-N -1 0 367.387 -0.290 20 0 FBADRM C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000487406016 485127962 /nfs/dbraw/zinc/12/79/62/485127962.db2.gz DSYMWTMYJGZKGQ-SFYZADRCSA-N -1 0 367.387 -0.290 20 0 FBADRM C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000487406018 485127313 /nfs/dbraw/zinc/12/73/13/485127313.db2.gz DSYMWTMYJGZKGQ-YUMQZZPRSA-N -1 0 367.387 -0.290 20 0 FBADRM COCCOCCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000487422316 485127923 /nfs/dbraw/zinc/12/79/23/485127923.db2.gz SEQJJZDCYVPSKO-UHFFFAOYSA-N -1 0 358.376 -0.233 20 0 FBADRM CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000487426009 485128186 /nfs/dbraw/zinc/12/81/86/485128186.db2.gz BPHZPDJULCYPCL-JTQLQIEISA-N -1 0 367.387 -0.323 20 0 FBADRM C[C@@]1(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCS(=O)(=O)C1 ZINC000487434062 485127347 /nfs/dbraw/zinc/12/73/47/485127347.db2.gz RDPMWXZIEBIURV-GFCCVEGCSA-N -1 0 374.400 -0.709 20 0 FBADRM C[C@]1(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCS(=O)(=O)C1 ZINC000487434063 485127744 /nfs/dbraw/zinc/12/77/44/485127744.db2.gz RDPMWXZIEBIURV-LBPRGKRZSA-N -1 0 374.400 -0.709 20 0 FBADRM O=C(N1CCCC1)[C@@]1(O)CCCN(S(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000487531305 485129235 /nfs/dbraw/zinc/12/92/35/485129235.db2.gz BPBBOCOGALTSTA-LLVKDONJSA-N -1 0 359.370 -0.168 20 0 FBADRM O=C(N1CCCC1)[C@]1(O)CCCN(S(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000487531311 485129054 /nfs/dbraw/zinc/12/90/54/485129054.db2.gz BPBBOCOGALTSTA-NSHDSACASA-N -1 0 359.370 -0.168 20 0 FBADRM Cn1nccc1[C@H]1[C@H](NS(=O)(=O)[N-]CC(F)(F)F)CC(=O)N1C ZINC000487626754 485131214 /nfs/dbraw/zinc/13/12/14/485131214.db2.gz SQRWQXYGIWHXLZ-GMSGAONNSA-N -1 0 355.342 -0.322 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)CSc2n[nH]c(=O)[n-]2)s1 ZINC000487779164 485134047 /nfs/dbraw/zinc/13/40/47/485134047.db2.gz DPVSJPSWQNOIBJ-UHFFFAOYSA-N -1 0 363.446 -0.112 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)n1 ZINC000488564125 485145405 /nfs/dbraw/zinc/14/54/05/485145405.db2.gz KAMCFMXXUFILLT-UHFFFAOYSA-N -1 0 350.307 -0.287 20 0 FBADRM Cn1nccc1[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)[N-]CC(F)(F)F ZINC000488676870 485146128 /nfs/dbraw/zinc/14/61/28/485146128.db2.gz XPLSZDLURVRDAI-GMSGAONNSA-N -1 0 355.342 -0.274 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000488848352 485149916 /nfs/dbraw/zinc/14/99/16/485149916.db2.gz AOKPKYBSZBLGNW-SECBINFHSA-N -1 0 367.387 -0.410 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000488848359 485150022 /nfs/dbraw/zinc/15/00/22/485150022.db2.gz AOKPKYBSZBLGNW-VIFPVBQESA-N -1 0 367.387 -0.410 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cn1C ZINC000489354019 485157925 /nfs/dbraw/zinc/15/79/25/485157925.db2.gz RNQWFVQKXBXPLA-CYBMUJFWSA-N -1 0 357.480 -0.195 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cn1C ZINC000489354023 485157269 /nfs/dbraw/zinc/15/72/69/485157269.db2.gz RNQWFVQKXBXPLA-ZDUSSCGKSA-N -1 0 357.480 -0.195 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)NC2(c3nnn[n-]3)CCCC2)n(C)c1 ZINC000489880787 485165782 /nfs/dbraw/zinc/16/57/82/485165782.db2.gz DXTBCMBBRAELET-UHFFFAOYSA-N -1 0 367.435 -0.012 20 0 FBADRM COC(=O)[C@@H](O)CNC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O ZINC000489978965 485166668 /nfs/dbraw/zinc/16/66/68/485166668.db2.gz NLQZOQABPHFILC-LBPRGKRZSA-N -1 0 373.387 -0.720 20 0 FBADRM COC(=O)[C@@H](O)CNC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000490003078 485167531 /nfs/dbraw/zinc/16/75/31/485167531.db2.gz IHGGNYUCFZDWBD-JTQLQIEISA-N -1 0 350.780 -0.025 20 0 FBADRM NC(=O)c1cccnc1N1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC000490954406 485182353 /nfs/dbraw/zinc/18/23/53/485182353.db2.gz MNKWSCNKSTZKFU-UHFFFAOYSA-N -1 0 363.403 -0.555 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2ccc(CS(N)(=O)=O)cc2)cc1C(N)=O ZINC000491057508 485184273 /nfs/dbraw/zinc/18/42/73/485184273.db2.gz FOXJSVVYYWWWGQ-UHFFFAOYSA-N -1 0 372.428 -0.287 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)cc1C(N)=O ZINC000491063319 485184026 /nfs/dbraw/zinc/18/40/26/485184026.db2.gz DECOVRFODTYLLA-UHFFFAOYSA-N -1 0 358.401 -0.428 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cccc(OCC(N)=O)c2)cc1C(N)=O ZINC000491064042 485184426 /nfs/dbraw/zinc/18/44/26/485184426.db2.gz FYVLQEDCMYWXHD-UHFFFAOYSA-N -1 0 352.372 -0.211 20 0 FBADRM Cc1ccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1S(N)(=O)=O ZINC000491093709 485184509 /nfs/dbraw/zinc/18/45/09/485184509.db2.gz WMSUOCODILRAMM-UHFFFAOYSA-N -1 0 372.428 -0.119 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1C(N)=O ZINC000491095621 485184474 /nfs/dbraw/zinc/18/44/74/485184474.db2.gz ZTXTUUSTSKQCSY-UHFFFAOYSA-N -1 0 358.401 -0.428 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@@H]3CCn4ccnc4C3)cc-2c(=O)[n-]1 ZINC000492065465 485191462 /nfs/dbraw/zinc/19/14/62/485191462.db2.gz TZVNXZFCVBRHMA-MRVPVSSYSA-N -1 0 362.371 -0.074 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@H]3CCn4ccnc4C3)cc-2c(=O)[n-]1 ZINC000492065466 485191953 /nfs/dbraw/zinc/19/19/53/485191953.db2.gz TZVNXZFCVBRHMA-QMMMGPOBSA-N -1 0 362.371 -0.074 20 0 FBADRM Cn1nnnc1SCCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000492168936 485191971 /nfs/dbraw/zinc/19/19/71/485191971.db2.gz OJTGDSIJLBCRRQ-UHFFFAOYSA-N -1 0 364.438 -0.446 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)Cn2nc3ccccn3c2=O)s1 ZINC000492170970 485192013 /nfs/dbraw/zinc/19/20/13/485192013.db2.gz YPNQRPMREKUOKZ-UHFFFAOYSA-N -1 0 369.388 -0.642 20 0 FBADRM CNS(=O)(=O)c1cccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1 ZINC000492193554 485191271 /nfs/dbraw/zinc/19/12/71/485191271.db2.gz ANLVOKRVRSDGLP-UHFFFAOYSA-N -1 0 359.389 -0.631 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)n[n-]1 ZINC000492194756 485191128 /nfs/dbraw/zinc/19/11/28/485191128.db2.gz GYTZSZZTCWASJG-UHFFFAOYSA-N -1 0 367.343 -0.695 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CNC(=O)Cc2cccc(F)c2)n[n-]1 ZINC000492195634 485191209 /nfs/dbraw/zinc/19/12/09/485191209.db2.gz KMSKJNMCSVXRSU-UHFFFAOYSA-N -1 0 355.351 -0.355 20 0 FBADRM Cc1cccc2c(=O)n(CC(=O)Nc3n[n-]c(S(C)(=O)=O)n3)cnc12 ZINC000492197037 485191838 /nfs/dbraw/zinc/19/18/38/485191838.db2.gz PWIMGMYOEDFEIP-UHFFFAOYSA-N -1 0 362.371 -0.135 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CNC(=O)COc2ccccc2)n[n-]1 ZINC000492198787 485191745 /nfs/dbraw/zinc/19/17/45/485191745.db2.gz ZLICHUDJAVOEHL-UHFFFAOYSA-N -1 0 353.360 -0.658 20 0 FBADRM CCOc1ccccc1C(=O)NCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000492198789 485191708 /nfs/dbraw/zinc/19/17/08/485191708.db2.gz ZMEVMAUIIRIVCV-UHFFFAOYSA-N -1 0 367.387 -0.025 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CCn2nnc3ccccc3c2=O)n[n-]1 ZINC000492212037 485191096 /nfs/dbraw/zinc/19/10/96/485191096.db2.gz XIRBDFJYWLFRGL-UHFFFAOYSA-N -1 0 363.359 -0.658 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CCN2C(=O)c3ccccc3C2=O)n[n-]1 ZINC000492222892 485192527 /nfs/dbraw/zinc/19/25/27/485192527.db2.gz KATWZKSLBJGDID-UHFFFAOYSA-N -1 0 363.355 -0.167 20 0 FBADRM CCNS(=O)(=O)c1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000492227223 485193224 /nfs/dbraw/zinc/19/32/24/485193224.db2.gz YOQBPZPRVCWUFD-UHFFFAOYSA-N -1 0 373.416 -0.241 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000492236362 485192850 /nfs/dbraw/zinc/19/28/50/485192850.db2.gz FUAASUVEOSUGHQ-UHFFFAOYSA-N -1 0 373.416 -0.289 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CCN2C(=O)COc3ccccc32)n[n-]1 ZINC000492253728 485192543 /nfs/dbraw/zinc/19/25/43/485192543.db2.gz QUSUCKSKYQOREE-UHFFFAOYSA-N -1 0 365.371 -0.038 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)n[n-]1 ZINC000492254052 485192788 /nfs/dbraw/zinc/19/27/88/485192788.db2.gz SPNPCCWNQKHURF-DTORHVGOSA-N -1 0 369.403 -0.288 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)n[n-]1 ZINC000492254053 485193024 /nfs/dbraw/zinc/19/30/24/485193024.db2.gz SPNPCCWNQKHURF-IUCAKERBSA-N -1 0 369.403 -0.288 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)n[n-]1 ZINC000492254054 485192837 /nfs/dbraw/zinc/19/28/37/485192837.db2.gz SPNPCCWNQKHURF-RKDXNWHRSA-N -1 0 369.403 -0.288 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000492254602 485192622 /nfs/dbraw/zinc/19/26/22/485192622.db2.gz WJDMMIZDFASQIB-UHFFFAOYSA-N -1 0 359.389 -0.631 20 0 FBADRM CN(CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1)S(=O)(=O)c1ccccc1 ZINC000492351694 485192960 /nfs/dbraw/zinc/19/29/60/485192960.db2.gz MUEGSXXNAPAPGB-UHFFFAOYSA-N -1 0 373.416 -0.533 20 0 FBADRM Cc1nc2ccccc2c(=O)n1CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000492375504 485193761 /nfs/dbraw/zinc/19/37/61/485193761.db2.gz MCVORCOLEIXMQE-UHFFFAOYSA-N -1 0 362.371 -0.135 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)C1=O ZINC000492397785 485194168 /nfs/dbraw/zinc/19/41/68/485194168.db2.gz FVOILXNYAUDSOQ-UHFFFAOYSA-N -1 0 358.380 -0.743 20 0 FBADRM Cn1c2ccccc2n(CC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1=O ZINC000492422483 485194075 /nfs/dbraw/zinc/19/40/75/485194075.db2.gz KEDSUILXNFYGIM-UHFFFAOYSA-N -1 0 350.360 -0.500 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CCn2cnc3ccccc3c2=O)n[n-]1 ZINC000492440435 485194390 /nfs/dbraw/zinc/19/43/90/485194390.db2.gz BHPKYEZDBNYUMG-UHFFFAOYSA-N -1 0 362.371 -0.053 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1 ZINC000492449521 485194222 /nfs/dbraw/zinc/19/42/22/485194222.db2.gz WLOMRRYKCFCXMR-UHFFFAOYSA-N -1 0 373.416 -0.289 20 0 FBADRM Cn1c2ccccc2n(CCC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1=O ZINC000492450304 485193989 /nfs/dbraw/zinc/19/39/89/485193989.db2.gz YTNXVHIOUKXGTO-UHFFFAOYSA-N -1 0 364.387 -0.110 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCc3cnnn3C)cc2)[n-]1 ZINC000493682215 485202053 /nfs/dbraw/zinc/20/20/53/485202053.db2.gz PBQLPUASQHQADY-UHFFFAOYSA-N -1 0 370.369 -0.060 20 0 FBADRM COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cn1 ZINC000493691460 485201685 /nfs/dbraw/zinc/20/16/85/485201685.db2.gz UKBGWCPRXJQKJZ-UHFFFAOYSA-N -1 0 363.359 -0.167 20 0 FBADRM O=C(CNC(=O)CSc1n[nH]c(=O)[n-]1)Nc1ccc(-n2cncn2)cc1 ZINC000493694891 485201894 /nfs/dbraw/zinc/20/18/94/485201894.db2.gz YOXMKTPWIVBPTO-UHFFFAOYSA-N -1 0 374.386 -0.062 20 0 FBADRM C[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000493843524 485203211 /nfs/dbraw/zinc/20/32/11/485203211.db2.gz LIYPXHBJRACBGE-JTQLQIEISA-N -1 0 369.399 -0.648 20 0 FBADRM C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000493843525 485203179 /nfs/dbraw/zinc/20/31/79/485203179.db2.gz LIYPXHBJRACBGE-SNVBAGLBSA-N -1 0 369.399 -0.648 20 0 FBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000493875698 485202606 /nfs/dbraw/zinc/20/26/06/485202606.db2.gz RBVZPMUAGUUWCU-UHFFFAOYSA-N -1 0 362.429 -0.137 20 0 FBADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000493876649 485202627 /nfs/dbraw/zinc/20/26/27/485202627.db2.gz WHAXCXWWWAIMPB-UHFFFAOYSA-N -1 0 362.429 -0.137 20 0 FBADRM Cc1ccc(S(=O)(=O)NCC2CN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000493876830 485202513 /nfs/dbraw/zinc/20/25/13/485202513.db2.gz WYQDWXPPOFPCKX-UHFFFAOYSA-N -1 0 362.429 -0.137 20 0 FBADRM CS(=O)(=O)N1CC(CNS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000493887051 485203190 /nfs/dbraw/zinc/20/31/90/485203190.db2.gz AKQCCQIWFGMERC-UHFFFAOYSA-N -1 0 366.392 -0.306 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000493887197 485203167 /nfs/dbraw/zinc/20/31/67/485203167.db2.gz BUCXHQYMOKNPLY-UHFFFAOYSA-N -1 0 362.429 -0.137 20 0 FBADRM CS(=O)(=O)N1CC(CNS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC000493887857 485204081 /nfs/dbraw/zinc/20/40/81/485204081.db2.gz IEJXNGCVYVJOCZ-UHFFFAOYSA-N -1 0 366.392 -0.306 20 0 FBADRM CS(=O)(=O)N1CC(CNS(=O)(=O)c2csc(C(=O)[O-])c2)C1 ZINC000493888806 485204204 /nfs/dbraw/zinc/20/42/04/485204204.db2.gz PUZVTKDKACQQSI-UHFFFAOYSA-N -1 0 354.431 -0.384 20 0 FBADRM CS(=O)(=O)N1CC(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000493889117 485204359 /nfs/dbraw/zinc/20/43/59/485204359.db2.gz RUSKHUOCDHPKQA-UHFFFAOYSA-N -1 0 366.392 -0.306 20 0 FBADRM Cc1oc(C)c(S(=O)(=O)NCC2CN(S(C)(=O)=O)C2)c1C(=O)[O-] ZINC000493889248 485204252 /nfs/dbraw/zinc/20/42/52/485204252.db2.gz SYTWRIVQFZAAHS-UHFFFAOYSA-N -1 0 366.417 -0.236 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000493889253 485204089 /nfs/dbraw/zinc/20/40/89/485204089.db2.gz SZMFQCFVEHONOO-UHFFFAOYSA-N -1 0 352.390 -0.544 20 0 FBADRM Cc1cc(S(=O)(=O)NCC2CN(S(C)(=O)=O)C2)sc1C(=O)[O-] ZINC000493889565 485203930 /nfs/dbraw/zinc/20/39/30/485203930.db2.gz WLASFENVDGEVCD-UHFFFAOYSA-N -1 0 368.458 -0.076 20 0 FBADRM CS(=O)(=O)N1CC(CNS(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000493892974 485204430 /nfs/dbraw/zinc/20/44/30/485204430.db2.gz AZCHRDASPDFADJ-UHFFFAOYSA-N -1 0 354.431 -0.384 20 0 FBADRM Cn1c2ncn(CC(=O)NCCCCCC(=O)[O-])c2c(=O)n(C)c1=O ZINC000493987266 485205289 /nfs/dbraw/zinc/20/52/89/485205289.db2.gz OOXBUYPUCZEYHD-UHFFFAOYSA-N -1 0 351.363 -0.805 20 0 FBADRM Cn1c2ncn(CC(=O)NCc3ccc(C(=O)[O-])cc3)c2c(=O)n(C)c1=O ZINC000493993728 485204869 /nfs/dbraw/zinc/20/48/69/485204869.db2.gz RKEYYARDOAKQTF-UHFFFAOYSA-N -1 0 371.353 -0.552 20 0 FBADRM Cc1cc(C(=O)NCC2CN(S(C)(=O)=O)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000494268224 485208650 /nfs/dbraw/zinc/20/86/50/485208650.db2.gz NAQKJNPRWMBZOT-UHFFFAOYSA-N -1 0 367.387 -0.634 20 0 FBADRM C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000494273021 485208293 /nfs/dbraw/zinc/20/82/93/485208293.db2.gz DQXBSQDRTFAXBP-SSDOTTSWSA-N -1 0 353.360 -0.713 20 0 FBADRM C[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000494273022 485208658 /nfs/dbraw/zinc/20/86/58/485208658.db2.gz DQXBSQDRTFAXBP-ZETCQYMHSA-N -1 0 353.360 -0.713 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@@H](C(N)=O)C1 ZINC000494371180 485209827 /nfs/dbraw/zinc/20/98/27/485209827.db2.gz RJKFRXZQBQXVCZ-GMSGAONNSA-N -1 0 367.387 -0.290 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@@H](C(N)=O)C1 ZINC000494371183 485209746 /nfs/dbraw/zinc/20/97/46/485209746.db2.gz RJKFRXZQBQXVCZ-OIBJUYFYSA-N -1 0 367.387 -0.290 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@H](C(N)=O)C1 ZINC000494371185 485209819 /nfs/dbraw/zinc/20/98/19/485209819.db2.gz RJKFRXZQBQXVCZ-XCBNKYQSSA-N -1 0 367.387 -0.290 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@H](C(N)=O)C1 ZINC000494371189 485209612 /nfs/dbraw/zinc/20/96/12/485209612.db2.gz RJKFRXZQBQXVCZ-XVKPBYJWSA-N -1 0 367.387 -0.290 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCN1CCO ZINC000494376094 485209733 /nfs/dbraw/zinc/20/97/33/485209733.db2.gz TWIQEFDUFCJZJM-SECBINFHSA-N -1 0 369.403 -0.877 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCN1CCO ZINC000494376095 485209131 /nfs/dbraw/zinc/20/91/31/485209131.db2.gz TWIQEFDUFCJZJM-VIFPVBQESA-N -1 0 369.403 -0.877 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]c3ccc4nncn4c3)cnc21 ZINC000494423000 485210520 /nfs/dbraw/zinc/21/05/20/485210520.db2.gz RKUHGXWSUHWBTP-UHFFFAOYSA-N -1 0 373.354 -0.122 20 0 FBADRM CNS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000494506784 485211496 /nfs/dbraw/zinc/21/14/96/485211496.db2.gz VDVSTJVMODQLMH-UHFFFAOYSA-N -1 0 372.428 -0.167 20 0 FBADRM CCN1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@H](C)C1=O ZINC000494544639 485211602 /nfs/dbraw/zinc/21/16/02/485211602.db2.gz IWGJNSIWNMYFQS-MRVPVSSYSA-N -1 0 367.387 -0.323 20 0 FBADRM CCN1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@@H](C)C1=O ZINC000494544648 485212032 /nfs/dbraw/zinc/21/20/32/485212032.db2.gz IWGJNSIWNMYFQS-QMMMGPOBSA-N -1 0 367.387 -0.323 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)c1 ZINC000494584670 485212588 /nfs/dbraw/zinc/21/25/88/485212588.db2.gz IDZQRULWIZOSMW-UHFFFAOYSA-N -1 0 373.416 -0.923 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c1 ZINC000494617519 485213312 /nfs/dbraw/zinc/21/33/12/485213312.db2.gz OJDNAVUHWWFWBG-UHFFFAOYSA-N -1 0 373.416 -0.923 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cn1 ZINC000494678851 485214114 /nfs/dbraw/zinc/21/41/14/485214114.db2.gz GGSXNAMQKLBATQ-UHFFFAOYSA-N -1 0 362.375 -0.594 20 0 FBADRM COC(=O)c1ccc(N2CCN(C(=O)c3cnc([O-])n(C)c3=O)CC2)nn1 ZINC000494983145 485219341 /nfs/dbraw/zinc/21/93/41/485219341.db2.gz FWVJQTLFXGWOIT-UHFFFAOYSA-N -1 0 374.357 -0.975 20 0 FBADRM COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000495435980 485223454 /nfs/dbraw/zinc/22/34/54/485223454.db2.gz FFOZKRFZKHSLDW-STQMWFEESA-N -1 0 362.386 -0.925 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)CNC(=O)c1ncccc1O ZINC000495436683 485224005 /nfs/dbraw/zinc/22/40/05/485224005.db2.gz VGDZOMFRBUTQCY-SNVBAGLBSA-N -1 0 356.404 -0.943 20 0 FBADRM O=C(C[C@@H]1NC(=O)NC1=O)N[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1 ZINC000495451527 485224483 /nfs/dbraw/zinc/22/44/83/485224483.db2.gz IPVDJHJFCHTWSK-AAEUAGOBSA-N -1 0 356.342 -0.196 20 0 FBADRM O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H](C(=O)Nc1cn[nH]c1)c1ccccc1 ZINC000495451528 485224379 /nfs/dbraw/zinc/22/43/79/485224379.db2.gz IPVDJHJFCHTWSK-WCQYABFASA-N -1 0 356.342 -0.196 20 0 FBADRM CN(C)S(=O)(=O)CCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000497636473 483522494 /nfs/dbraw/zinc/52/24/94/483522494.db2.gz KQDVPQNYKALNHK-UHFFFAOYSA-N -1 0 357.439 -0.870 20 0 FBADRM O=C(Cn1cnnn1)Nc1ccc(S(=O)(=O)[N-]c2nncs2)cc1 ZINC000497798197 483541789 /nfs/dbraw/zinc/54/17/89/483541789.db2.gz JBYFBODZHNJWIO-UHFFFAOYSA-N -1 0 366.388 -0.036 20 0 FBADRM COCCn1ccc(=NC([O-])=CC=C(O)Nc2ccc3[nH]c(=O)nc-3[nH]2)[nH]1 ZINC000497861482 483550883 /nfs/dbraw/zinc/55/08/83/483550883.db2.gz XLUCAVGTICHDRB-UHFFFAOYSA-N -1 0 373.373 -0.292 20 0 FBADRM CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000497984328 483566312 /nfs/dbraw/zinc/56/63/12/483566312.db2.gz QCBLDCPMSPFSFB-PSASIEDQSA-N -1 0 367.387 -0.371 20 0 FBADRM CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000497984330 483566340 /nfs/dbraw/zinc/56/63/40/483566340.db2.gz QCBLDCPMSPFSFB-SCZZXKLOSA-N -1 0 367.387 -0.371 20 0 FBADRM CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000497984331 483566297 /nfs/dbraw/zinc/56/62/97/483566297.db2.gz QCBLDCPMSPFSFB-WCBMZHEXSA-N -1 0 367.387 -0.371 20 0 FBADRM CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000497984332 483565712 /nfs/dbraw/zinc/56/57/12/483565712.db2.gz QCBLDCPMSPFSFB-WPRPVWTQSA-N -1 0 367.387 -0.371 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCCC(=O)[O-])c1 ZINC000498030809 483570223 /nfs/dbraw/zinc/57/02/23/483570223.db2.gz XLRVURIAGCODHF-UHFFFAOYSA-N -1 0 373.431 -0.140 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)CC(=O)[O-])c1 ZINC000498034464 483570215 /nfs/dbraw/zinc/57/02/15/483570215.db2.gz YNEKKMQBFDZZHI-UHFFFAOYSA-N -1 0 359.404 -0.578 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N=c2nc(Cc3ccccc3)[n-]s2)C1=O ZINC000498112388 484530508 /nfs/dbraw/zinc/53/05/08/484530508.db2.gz UTUWCEZLTQVIQK-UHFFFAOYSA-N -1 0 359.367 -0.090 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)NCCCc2n[nH]c(=O)[n-]2)n(C)c1 ZINC000498252993 484632562 /nfs/dbraw/zinc/63/25/62/484632562.db2.gz LDZAHJGUXJWLRU-UHFFFAOYSA-N -1 0 356.408 -0.538 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2)[n-]1 ZINC000498553236 485150546 /nfs/dbraw/zinc/15/05/46/485150546.db2.gz IWDAAWCHNFQVLM-AWEZNQCLSA-N -1 0 372.381 -0.029 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCC[C@@H]3C(N)=O)cc2)[n-]1 ZINC000498553239 485150641 /nfs/dbraw/zinc/15/06/41/485150641.db2.gz IWDAAWCHNFQVLM-CQSZACIVSA-N -1 0 372.381 -0.029 20 0 FBADRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CNC(=O)CNC(C)=O)c1 ZINC000498620793 485238575 /nfs/dbraw/zinc/23/85/75/485238575.db2.gz SNCLFZYRKFKEGZ-UHFFFAOYSA-N -1 0 357.388 -0.623 20 0 FBADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000498656135 485240100 /nfs/dbraw/zinc/24/01/00/485240100.db2.gz JGMHTIIJXYBSPT-NEPJUHHUSA-N -1 0 351.403 -0.173 20 0 FBADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000498656136 485239793 /nfs/dbraw/zinc/23/97/93/485239793.db2.gz JGMHTIIJXYBSPT-NWDGAFQWSA-N -1 0 351.403 -0.173 20 0 FBADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000498656137 485239801 /nfs/dbraw/zinc/23/98/01/485239801.db2.gz JGMHTIIJXYBSPT-RYUDHWBXSA-N -1 0 351.403 -0.173 20 0 FBADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000498656138 483530222 /nfs/dbraw/zinc/53/02/22/483530222.db2.gz JGMHTIIJXYBSPT-VXGBXAGGSA-N -1 0 351.403 -0.173 20 0 FBADRM Cc1cc(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000498774026 485242091 /nfs/dbraw/zinc/24/20/91/485242091.db2.gz CVYNSAKRVNICJP-SECBINFHSA-N -1 0 361.358 -0.590 20 0 FBADRM Cc1cc(C(=O)N2CCN(C(=O)[C@H](C)O)CC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000498774027 485242176 /nfs/dbraw/zinc/24/21/76/485242176.db2.gz CVYNSAKRVNICJP-VIFPVBQESA-N -1 0 361.358 -0.590 20 0 FBADRM CN(CC(=O)NC1CC1)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000499226199 485251825 /nfs/dbraw/zinc/25/18/25/485251825.db2.gz BWJINJLMSSFSPR-UHFFFAOYSA-N -1 0 361.370 -0.020 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2C(N)=O)cc1 ZINC000499334492 485254141 /nfs/dbraw/zinc/25/41/41/485254141.db2.gz MOPZJUVZQYZBPL-UHFFFAOYSA-N -1 0 373.416 -0.474 20 0 FBADRM CC(C)Oc1ccc(=NC(=O)N(CCO)CCN2CCOCC2)[n-]n1 ZINC000499501274 485243166 /nfs/dbraw/zinc/24/31/66/485243166.db2.gz VJLDYUQZWHSFDD-UHFFFAOYSA-N -1 0 353.423 -0.156 20 0 FBADRM COc1ccc(=NC(=O)N=c2ccn(CC(=O)N3CCOCC3)[nH]2)[n-]n1 ZINC000499604678 485259785 /nfs/dbraw/zinc/25/97/85/485259785.db2.gz HIWGPIADBJHUNX-UHFFFAOYSA-N -1 0 361.362 -0.972 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCN(C4CC4)C(=O)C3)cc-2c(=O)[n-]1 ZINC000499738204 485262450 /nfs/dbraw/zinc/26/24/50/485262450.db2.gz KFXVOUDUQJYHRB-UHFFFAOYSA-N -1 0 365.371 -0.569 20 0 FBADRM COC(=O)CCN1CC[C@@H](NC(=O)N=c2nc(SC)[n-]s2)C1=O ZINC000499897420 485265580 /nfs/dbraw/zinc/26/55/80/485265580.db2.gz LNYCUEKFZNAOBY-SSDOTTSWSA-N -1 0 359.433 -0.033 20 0 FBADRM COC(=O)CCN1CC[C@H](NC(=O)N=c2nc(SC)[n-]s2)C1=O ZINC000499897422 485265414 /nfs/dbraw/zinc/26/54/14/485265414.db2.gz LNYCUEKFZNAOBY-ZETCQYMHSA-N -1 0 359.433 -0.033 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)NCCN1C(=O)CNC1=O ZINC000499942405 485267554 /nfs/dbraw/zinc/26/75/54/485267554.db2.gz FIZOSHAVHGYDTE-UHFFFAOYSA-N -1 0 374.806 -0.007 20 0 FBADRM CNC(=O)CCNC(=O)c1ccc(-n2[n-]c(CC(=O)OC)cc2=O)cc1 ZINC000500030849 485269795 /nfs/dbraw/zinc/26/97/95/485269795.db2.gz QSKPCMFBGFSDRZ-UHFFFAOYSA-N -1 0 360.370 -0.253 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2n[nH]c(=O)[n-]2)[C@@H](C)O)cc1 ZINC000500097003 485270983 /nfs/dbraw/zinc/27/09/83/485270983.db2.gz IJCXNQHIGAADMB-BXKDBHETSA-N -1 0 369.403 -0.837 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2n[nH]c(=O)[n-]2)[C@H](C)O)cc1 ZINC000500097004 485270770 /nfs/dbraw/zinc/27/07/70/485270770.db2.gz IJCXNQHIGAADMB-CABZTGNLSA-N -1 0 369.403 -0.837 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2n[nH]c(=O)[n-]2)[C@H](C)O)cc1 ZINC000500097005 485270574 /nfs/dbraw/zinc/27/05/74/485270574.db2.gz IJCXNQHIGAADMB-JOYOIKCWSA-N -1 0 369.403 -0.837 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2n[nH]c(=O)[n-]2)[C@@H](C)O)cc1 ZINC000500097006 485270673 /nfs/dbraw/zinc/27/06/73/485270673.db2.gz IJCXNQHIGAADMB-SKDRFNHKSA-N -1 0 369.403 -0.837 20 0 FBADRM COc1ccc(-n2cc([O-])c(C(=O)N3CCN(C(=O)CO)CC3)n2)cc1 ZINC000500309124 485276939 /nfs/dbraw/zinc/27/69/39/485276939.db2.gz ZYPSCLYRUAQFEQ-UHFFFAOYSA-N -1 0 360.370 -0.137 20 0 FBADRM COC[C@@H](C(N)=O)N(C)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000500328369 485277387 /nfs/dbraw/zinc/27/73/87/485277387.db2.gz KBCFLTDASZUMKO-JTQLQIEISA-N -1 0 365.358 -0.798 20 0 FBADRM COc1cnc([N-]S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)nc1 ZINC000500477871 485282383 /nfs/dbraw/zinc/28/23/83/485282383.db2.gz ZVXKFUHYZLGMQJ-UHFFFAOYSA-N -1 0 364.343 -0.367 20 0 FBADRM NC(=O)c1cn(C2CN(C(=O)c3nn(-c4ccccc4)cc3[O-])C2)nn1 ZINC000500515527 485284081 /nfs/dbraw/zinc/28/40/81/485284081.db2.gz OQDUMMFFSKMSBC-UHFFFAOYSA-N -1 0 353.342 -0.035 20 0 FBADRM CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000500540427 485285171 /nfs/dbraw/zinc/28/51/71/485285171.db2.gz WOGBZBOQMPIJQZ-UHFFFAOYSA-N -1 0 373.416 -0.474 20 0 FBADRM CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1cnn(CC(=O)OC)c1 ZINC000500555271 485285058 /nfs/dbraw/zinc/28/50/58/485285058.db2.gz CIVLYIOFBVHPOL-UHFFFAOYSA-N -1 0 356.364 -0.752 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CNC(=O)c2cc(F)cc(F)c2)n[n-]1 ZINC000500568697 485285014 /nfs/dbraw/zinc/28/50/14/485285014.db2.gz KJQJKYNMYHXMAF-UHFFFAOYSA-N -1 0 359.314 -0.145 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)n[n-]1 ZINC000500569916 485285644 /nfs/dbraw/zinc/28/56/44/485285644.db2.gz NOHRVIXYWBLCHG-HTQZYQBOSA-N -1 0 355.376 -0.678 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)n[n-]1 ZINC000500569917 485286258 /nfs/dbraw/zinc/28/62/58/485286258.db2.gz NOHRVIXYWBLCHG-OCAPTIKFSA-N -1 0 355.376 -0.678 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)n[n-]1 ZINC000500569918 485286068 /nfs/dbraw/zinc/28/60/68/485286068.db2.gz NOHRVIXYWBLCHG-YUMQZZPRSA-N -1 0 355.376 -0.678 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)[C@H]2CCCCN2C(=O)[C@H]2CCCO2)n[n-]1 ZINC000500592994 485286211 /nfs/dbraw/zinc/28/62/11/485286211.db2.gz PPPVTVUTNUZKJT-NXEZZACHSA-N -1 0 371.419 -0.293 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCO2)n[n-]1 ZINC000500592998 485286025 /nfs/dbraw/zinc/28/60/25/485286025.db2.gz PPPVTVUTNUZKJT-UWVGGRQHSA-N -1 0 371.419 -0.293 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCO2)n[n-]1 ZINC000500593000 485286039 /nfs/dbraw/zinc/28/60/39/485286039.db2.gz PPPVTVUTNUZKJT-VHSXEESVSA-N -1 0 371.419 -0.293 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCCO2)n[n-]1 ZINC000500593002 485285613 /nfs/dbraw/zinc/28/56/13/485285613.db2.gz PPPVTVUTNUZKJT-ZJUUUORDSA-N -1 0 371.419 -0.293 20 0 FBADRM CN(C)C(=O)COc1ccccc1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000500605409 485285851 /nfs/dbraw/zinc/28/58/51/485285851.db2.gz SAGBVNMQRAMSBK-UHFFFAOYSA-N -1 0 367.387 -0.073 20 0 FBADRM CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000500746179 485287947 /nfs/dbraw/zinc/28/79/47/485287947.db2.gz SHSUMZGPNPSAJW-UHFFFAOYSA-N -1 0 362.375 -0.146 20 0 FBADRM COc1cccc(-c2nc(=NC(=O)C(=O)NC3(C(N)=O)CC3)s[n-]2)c1 ZINC000501061869 485295608 /nfs/dbraw/zinc/29/56/08/485295608.db2.gz HFXYWPZKDRTLJV-UHFFFAOYSA-N -1 0 361.383 -0.292 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(N)=O)nc2)c1 ZINC000501251365 485297933 /nfs/dbraw/zinc/29/79/33/485297933.db2.gz CAQARCIFFALBAD-UHFFFAOYSA-N -1 0 370.412 -0.111 20 0 FBADRM NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cn1 ZINC000501253746 485297802 /nfs/dbraw/zinc/29/78/02/485297802.db2.gz NWFNDFLEUDFAHT-UHFFFAOYSA-N -1 0 356.385 -0.371 20 0 FBADRM CCOC(=O)Cc1n[n-]c(=NC(=O)NCCNc2cnccn2)s1 ZINC000501263061 485299249 /nfs/dbraw/zinc/29/92/49/485299249.db2.gz DEQQSSNDFODZCW-UHFFFAOYSA-N -1 0 351.392 -0.489 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)nc2)cc1 ZINC000501285549 485298974 /nfs/dbraw/zinc/29/89/74/485298974.db2.gz ODGYKUBEEAQHHC-UHFFFAOYSA-N -1 0 370.412 -0.111 20 0 FBADRM COC(=O)[C@]1([N-]S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CCOC1 ZINC000501454486 485302364 /nfs/dbraw/zinc/30/23/64/485302364.db2.gz SQAAPXSTDUSPGS-INIZCTEOSA-N -1 0 368.411 -0.238 20 0 FBADRM COC(=O)[C@@]1([N-]S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CCOC1 ZINC000501454487 485302503 /nfs/dbraw/zinc/30/25/03/485302503.db2.gz SQAAPXSTDUSPGS-MRXNPFEDSA-N -1 0 368.411 -0.238 20 0 FBADRM COC[C@@H]([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)OC ZINC000501491784 485302210 /nfs/dbraw/zinc/30/22/10/485302210.db2.gz NKDVXKZNPLTXEB-CYBMUJFWSA-N -1 0 356.400 -0.382 20 0 FBADRM COC[C@H]([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)OC ZINC000501491786 485302175 /nfs/dbraw/zinc/30/21/75/485302175.db2.gz NKDVXKZNPLTXEB-ZDUSSCGKSA-N -1 0 356.400 -0.382 20 0 FBADRM COC(=O)CCN1CC[C@@H](NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1=O ZINC000501822272 485307754 /nfs/dbraw/zinc/30/77/54/485307754.db2.gz FEPQDVZEHUDJBH-GFCCVEGCSA-N -1 0 374.353 -0.076 20 0 FBADRM COC(=O)CCN1CC[C@H](NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1=O ZINC000501822284 485307472 /nfs/dbraw/zinc/30/74/72/485307472.db2.gz FEPQDVZEHUDJBH-LBPRGKRZSA-N -1 0 374.353 -0.076 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)CC(=O)NCC(F)(F)F)s1 ZINC000502087126 483908193 /nfs/dbraw/zinc/90/81/93/483908193.db2.gz GRAOCJICTBSRQA-UHFFFAOYSA-N -1 0 361.327 -0.083 20 0 FBADRM CC(C)[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)c1nc(-c2nc[nH]n2)no1 ZINC000502126951 483908263 /nfs/dbraw/zinc/90/82/63/483908263.db2.gz YPPZPTCQNXZNMQ-MRVPVSSYSA-N -1 0 360.334 -0.219 20 0 FBADRM CC(C)[C@H](NC(=O)c1cnc([O-])n(C)c1=O)c1nc(-c2nc[nH]n2)no1 ZINC000502126967 483908128 /nfs/dbraw/zinc/90/81/28/483908128.db2.gz YPPZPTCQNXZNMQ-QMMMGPOBSA-N -1 0 360.334 -0.219 20 0 FBADRM Cn1c2ncn(CCC(=O)NCCCCCC(=O)[O-])c2c(=O)n(C)c1=O ZINC000502383916 483919872 /nfs/dbraw/zinc/91/98/72/483919872.db2.gz APYVNSCYSIHEFT-UHFFFAOYSA-N -1 0 365.390 -0.415 20 0 FBADRM CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)n1 ZINC000502471257 483921731 /nfs/dbraw/zinc/92/17/31/483921731.db2.gz FKGJVAHHBJSVIV-UHFFFAOYSA-N -1 0 353.408 -0.300 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)NCCCCCC(=O)[O-])c(=O)n2C ZINC000502780974 483928814 /nfs/dbraw/zinc/92/88/14/483928814.db2.gz IZYDKUFCKLQBNC-UHFFFAOYSA-N -1 0 351.363 -0.805 20 0 FBADRM Cn1c2c(ccn2CC(=O)NCCCCCC(=O)[O-])c(=O)n(C)c1=O ZINC000502833051 483928789 /nfs/dbraw/zinc/92/87/89/483928789.db2.gz PULPSZSUKLRHCD-UHFFFAOYSA-N -1 0 350.375 -0.200 20 0 FBADRM Cc1cc(S(N)(=O)=O)cc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1C ZINC000503239514 483941442 /nfs/dbraw/zinc/94/14/42/483941442.db2.gz HAAURDLXFJGBOK-UHFFFAOYSA-N -1 0 373.416 -0.275 20 0 FBADRM CN(C)CCS(=O)(=O)c1ccccc1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000503572297 483951741 /nfs/dbraw/zinc/95/17/41/483951741.db2.gz NFQREYUSDPERAL-UHFFFAOYSA-N -1 0 353.404 -0.224 20 0 FBADRM CN(CC(C)(CO)CO)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000503742387 483957925 /nfs/dbraw/zinc/95/79/25/483957925.db2.gz UCELDGVMXGDSNW-UHFFFAOYSA-N -1 0 358.376 -0.953 20 0 FBADRM NC(=O)[C@H]1CCCN(C(=O)CN2[N-]S(=O)(=O)c3ccccc3C2=O)C1 ZINC000503933164 483963563 /nfs/dbraw/zinc/96/35/63/483963563.db2.gz WNQDWOULICFYIK-JTQLQIEISA-N -1 0 366.399 -0.940 20 0 FBADRM NC(=O)[C@@H]1CCCN(C(=O)CN2[N-]S(=O)(=O)c3ccccc3C2=O)C1 ZINC000503933165 483963121 /nfs/dbraw/zinc/96/31/21/483963121.db2.gz WNQDWOULICFYIK-SNVBAGLBSA-N -1 0 366.399 -0.940 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2nc3ncccn3n2)c1 ZINC000503977759 484204443 /nfs/dbraw/zinc/20/44/43/484204443.db2.gz OEKMKHOCRCSERL-UHFFFAOYSA-N -1 0 368.400 -0.167 20 0 FBADRM Cn1ncc(I)c1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000504052687 483967422 /nfs/dbraw/zinc/96/74/22/483967422.db2.gz FWZULLYPWVMCME-UHFFFAOYSA-N -1 0 359.131 -0.043 20 0 FBADRM Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3ccc(-n4cnnn4)cc3)nc2n1 ZINC000504200697 483971525 /nfs/dbraw/zinc/97/15/25/483971525.db2.gz DFJHHOOZHUETJP-UHFFFAOYSA-N -1 0 373.358 -0.497 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)NCCOC)c2)nc1C ZINC000504241515 483972545 /nfs/dbraw/zinc/97/25/45/483972545.db2.gz NTYJKRBYCPIJFI-UHFFFAOYSA-N -1 0 370.435 -0.029 20 0 FBADRM CNC(=O)Cn1nc([N-]S(=O)(=O)c2cc(C(=O)NC)n(C)c2)cc1C ZINC000504260012 483972804 /nfs/dbraw/zinc/97/28/04/483972804.db2.gz KMIPWMABWWTWOA-UHFFFAOYSA-N -1 0 368.419 -0.564 20 0 FBADRM CNC(=O)Cn1nc([N-]S(=O)(=O)c2c[nH]c(C(=O)OC)c2)cc1C ZINC000504268524 483974928 /nfs/dbraw/zinc/97/49/28/483974928.db2.gz XEWINQXEPLOPEX-UHFFFAOYSA-N -1 0 355.376 -0.147 20 0 FBADRM CNC(=O)Cn1nc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)cc1C ZINC000504293918 483974303 /nfs/dbraw/zinc/97/43/03/483974303.db2.gz VRWFXNWFKDTKRS-UHFFFAOYSA-N -1 0 351.388 -0.163 20 0 FBADRM CNC(=O)Cn1nc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)cc1C ZINC000504298381 483974489 /nfs/dbraw/zinc/97/44/89/483974489.db2.gz FSZOQRWSEMAIRJ-UHFFFAOYSA-N -1 0 351.388 -0.163 20 0 FBADRM CNC(=O)Cn1nc([N-]S(=O)(=O)c2csnc2C(=O)OC)cc1C ZINC000504300260 483973698 /nfs/dbraw/zinc/97/36/98/483973698.db2.gz UXKFXLAFVPOEDK-UHFFFAOYSA-N -1 0 373.416 -0.019 20 0 FBADRM CNC(=O)Cn1nc([N-]S(=O)(=O)c2cc(C(=O)OC)n(C)c2)cc1C ZINC000504303681 483974232 /nfs/dbraw/zinc/97/42/32/483974232.db2.gz IDSAHVHBPSNYRN-UHFFFAOYSA-N -1 0 369.403 -0.137 20 0 FBADRM COCc1nc(=NC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)s[n-]1 ZINC000504368474 483976735 /nfs/dbraw/zinc/97/67/35/483976735.db2.gz RCRVXDKUQVTTOD-VHSXEESVSA-N -1 0 356.404 -0.549 20 0 FBADRM Cc1cc(C(=O)NCCCCS(N)(=O)=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000504464398 483979493 /nfs/dbraw/zinc/97/94/93/483979493.db2.gz ISMXTUJSSCDYPN-UHFFFAOYSA-N -1 0 355.376 -0.457 20 0 FBADRM Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000504658991 483988959 /nfs/dbraw/zinc/98/89/59/483988959.db2.gz CNDLHZLFNVNWEH-UHFFFAOYSA-N -1 0 357.330 -0.035 20 0 FBADRM CCn1nnnc1-c1cccc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000504691673 483988304 /nfs/dbraw/zinc/98/83/04/483988304.db2.gz WRXITOBWLWNUNT-UHFFFAOYSA-N -1 0 357.334 -0.561 20 0 FBADRM CNC(=O)CN(C)C(=O)c1ccc(-n2[n-]c(CC(=O)OC)cc2=O)cc1 ZINC000504925785 483994011 /nfs/dbraw/zinc/99/40/11/483994011.db2.gz DYZJLXFFABGOLK-UHFFFAOYSA-N -1 0 360.370 -0.301 20 0 FBADRM COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc([O-])n(C)c1=O ZINC000505421516 484003202 /nfs/dbraw/zinc/00/32/02/484003202.db2.gz RETICVQAPQYNHB-AWEZNQCLSA-N -1 0 374.397 -0.410 20 0 FBADRM Cc1cc(S(=O)(=O)NCC2CN(S(C)(=O)=O)C2)ccc1C(=O)[O-] ZINC000505826420 484014025 /nfs/dbraw/zinc/01/40/25/484014025.db2.gz NFMKLBVIIMOIHO-UHFFFAOYSA-N -1 0 362.429 -0.137 20 0 FBADRM Cc1nnc([C@@H](C)NS(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)[nH]1 ZINC000505837840 484015291 /nfs/dbraw/zinc/01/52/91/484015291.db2.gz KEJHFHRIFWZJPJ-MRVPVSSYSA-N -1 0 367.387 -0.033 20 0 FBADRM Cc1nnc([C@H](C)NS(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)[nH]1 ZINC000505837849 484015109 /nfs/dbraw/zinc/01/51/09/484015109.db2.gz KEJHFHRIFWZJPJ-QMMMGPOBSA-N -1 0 367.387 -0.033 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C1(S(C)(=O)=O)CC1 ZINC000505863251 484015837 /nfs/dbraw/zinc/01/58/37/484015837.db2.gz BHXRJHDIADWXLW-MRVPVSSYSA-N -1 0 350.418 -0.033 20 0 FBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C1(S(C)(=O)=O)CC1 ZINC000505863252 484015431 /nfs/dbraw/zinc/01/54/31/484015431.db2.gz BHXRJHDIADWXLW-QMMMGPOBSA-N -1 0 350.418 -0.033 20 0 FBADRM COC(=O)c1c(C)[nH]c(C([O-])=CS(=O)(=O)Cc2nnnn2C)c1C ZINC000506180819 484025579 /nfs/dbraw/zinc/02/55/79/484025579.db2.gz YCCQBCBHMLYJEY-UHFFFAOYSA-N -1 0 355.376 -0.261 20 0 FBADRM CCNC(=O)CNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000506197832 484024971 /nfs/dbraw/zinc/02/49/71/484024971.db2.gz BHTQOFVXRJNJLR-JTQLQIEISA-N -1 0 369.399 -0.462 20 0 FBADRM CCNC(=O)CNS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000506197833 484025383 /nfs/dbraw/zinc/02/53/83/484025383.db2.gz BHTQOFVXRJNJLR-SNVBAGLBSA-N -1 0 369.399 -0.462 20 0 FBADRM Cn1nccc1CNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000506221606 484026702 /nfs/dbraw/zinc/02/67/02/484026702.db2.gz FJFLGNVDBICYBS-UHFFFAOYSA-N -1 0 352.372 -0.287 20 0 FBADRM CC(C)(C)c1nc(=NC(=O)C(=O)N2CC[C@@H](S(C)(=O)=O)C2)s[n-]1 ZINC000506492145 658975782 /nfs/dbraw/zinc/97/57/82/658975782.db2.gz WRTGCEAQJWAORB-MRVPVSSYSA-N -1 0 360.461 -0.159 20 0 FBADRM CC(C)(C)c1nc(=NC(=O)C(=O)N2CC[C@H](S(C)(=O)=O)C2)s[n-]1 ZINC000506492147 658975949 /nfs/dbraw/zinc/97/59/49/658975949.db2.gz WRTGCEAQJWAORB-QMMMGPOBSA-N -1 0 360.461 -0.159 20 0 FBADRM Cc1cc(N2CCC[C@@H](N3CCN(Cc4n[nH]c(=O)[n-]4)CC3)C2=O)n(C)n1 ZINC000506580706 484034737 /nfs/dbraw/zinc/03/47/37/484034737.db2.gz WHVKSURZQRCFGG-CYBMUJFWSA-N -1 0 374.449 -0.135 20 0 FBADRM Cc1cc(N2CCC[C@H](N3CCN(Cc4n[nH]c(=O)[n-]4)CC3)C2=O)n(C)n1 ZINC000506580707 484035222 /nfs/dbraw/zinc/03/52/22/484035222.db2.gz WHVKSURZQRCFGG-ZDUSSCGKSA-N -1 0 374.449 -0.135 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(C(=O)NCC(N)=O)cc1 ZINC000506618948 484034943 /nfs/dbraw/zinc/03/49/43/484034943.db2.gz OGBZFBMRENHBDG-UHFFFAOYSA-N -1 0 351.388 -0.256 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]c1cccc(C(=O)NCC(N)=O)c1 ZINC000506710848 484038530 /nfs/dbraw/zinc/03/85/30/484038530.db2.gz KKEUENSXQKHKGC-UHFFFAOYSA-N -1 0 351.388 -0.256 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2nc(OC)n[nH]2)c1 ZINC000506803678 484040914 /nfs/dbraw/zinc/04/09/14/484040914.db2.gz CQNAMRLDSIASOV-UHFFFAOYSA-N -1 0 355.376 -0.010 20 0 FBADRM CCNC(=O)c1cccc(NC(=O)CS(=O)(=O)c2n[nH]c(=O)[n-]2)c1 ZINC000506867618 484042042 /nfs/dbraw/zinc/04/20/42/484042042.db2.gz MQCRADGGSNYVJM-UHFFFAOYSA-N -1 0 353.360 -0.328 20 0 FBADRM CCOc1ccc(OCCNC(=O)CS(=O)(=O)c2n[nH]c(=O)[n-]2)cc1 ZINC000506875339 484041677 /nfs/dbraw/zinc/04/16/77/484041677.db2.gz NNCPVIGJNVKLEY-UHFFFAOYSA-N -1 0 370.387 -0.122 20 0 FBADRM COC(=O)c1cnc(S(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C)[n-]1 ZINC000506880291 484041814 /nfs/dbraw/zinc/04/18/14/484041814.db2.gz HJOAZPNTZUWQKD-UHFFFAOYSA-N -1 0 360.392 -0.999 20 0 FBADRM CN(C)C(=O)c1ccc(NC(=O)CS(=O)(=O)c2n[nH]c(=O)[n-]2)cc1 ZINC000506889446 484042275 /nfs/dbraw/zinc/04/22/75/484042275.db2.gz GDEKDPUHSWQOEP-UHFFFAOYSA-N -1 0 353.360 -0.376 20 0 FBADRM COc1cc(NC(=O)CS(=O)(=O)c2n[nH]c(=O)[n-]2)cc(OC)c1OC ZINC000506891834 484042523 /nfs/dbraw/zinc/04/25/23/484042523.db2.gz FKTGYSGIHDSBEX-UHFFFAOYSA-N -1 0 372.359 -0.052 20 0 FBADRM COc1ccc(CNC(=O)CS(=O)(=O)c2n[nH]c(=O)[n-]2)cc1OC ZINC000506892817 484042585 /nfs/dbraw/zinc/04/25/85/484042585.db2.gz GEGKFPGLKAYEGZ-UHFFFAOYSA-N -1 0 356.360 -0.382 20 0 FBADRM O=C(CS(=O)(=O)c1n[nH]c(=O)[n-]1)NCc1cnn(-c2ccccc2)c1 ZINC000506895418 484042027 /nfs/dbraw/zinc/04/20/27/484042027.db2.gz PVKFLLJJPQQFFU-UHFFFAOYSA-N -1 0 362.371 -0.214 20 0 FBADRM COC(=O)c1cnc(S(=O)(=O)[C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)[n-]1 ZINC000506906894 484042200 /nfs/dbraw/zinc/04/22/00/484042200.db2.gz DIEBSKHIAGBASJ-BDAKNGLRSA-N -1 0 372.403 -0.918 20 0 FBADRM COC(=O)c1cnc(S(=O)(=O)[C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)[n-]1 ZINC000506906895 484042337 /nfs/dbraw/zinc/04/23/37/484042337.db2.gz DIEBSKHIAGBASJ-DTWKUNHWSA-N -1 0 372.403 -0.918 20 0 FBADRM COC(=O)c1cnc(S(=O)(=O)[C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)[n-]1 ZINC000506906896 484042063 /nfs/dbraw/zinc/04/20/63/484042063.db2.gz DIEBSKHIAGBASJ-IUCAKERBSA-N -1 0 372.403 -0.918 20 0 FBADRM COC(=O)c1cnc(S(=O)(=O)[C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)[n-]1 ZINC000506906897 484042100 /nfs/dbraw/zinc/04/21/00/484042100.db2.gz DIEBSKHIAGBASJ-RKDXNWHRSA-N -1 0 372.403 -0.918 20 0 FBADRM COCCOc1cccc(CNC(=O)CS(=O)(=O)c2n[nH]c(=O)[n-]2)c1 ZINC000506909026 484042067 /nfs/dbraw/zinc/04/20/67/484042067.db2.gz ITAHTMANYHLCEF-UHFFFAOYSA-N -1 0 370.387 -0.374 20 0 FBADRM CN(CCOc1ccccc1F)C(=O)CS(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000506910020 484042608 /nfs/dbraw/zinc/04/26/08/484042608.db2.gz GQKGCDDHMVVFTH-UHFFFAOYSA-N -1 0 358.351 -0.040 20 0 FBADRM O=C(CS(=O)(=O)c1n[nH]c(=O)[n-]1)NC[C@@H]1COc2ccccc2O1 ZINC000506910237 484042352 /nfs/dbraw/zinc/04/23/52/484042352.db2.gz MOFMTLUZUGONSE-MRVPVSSYSA-N -1 0 354.344 -0.760 20 0 FBADRM O=C(CS(=O)(=O)c1n[nH]c(=O)[n-]1)NC[C@H]1COc2ccccc2O1 ZINC000506910238 484042435 /nfs/dbraw/zinc/04/24/35/484042435.db2.gz MOFMTLUZUGONSE-QMMMGPOBSA-N -1 0 354.344 -0.760 20 0 FBADRM O=c1[n-]c(S(=O)(=O)Cc2ccc(S(=O)(=O)N3CCCC3)o2)n[nH]1 ZINC000506911830 484042134 /nfs/dbraw/zinc/04/21/34/484042134.db2.gz RVUYTOYMAYZJFC-UHFFFAOYSA-N -1 0 362.389 -0.138 20 0 FBADRM COc1cccc(CN(C)C(=O)CS(=O)(=O)c2n[nH]c(=O)[n-]2)c1OC ZINC000506925626 484041945 /nfs/dbraw/zinc/04/19/45/484041945.db2.gz BADKLVZAOJUEAJ-UHFFFAOYSA-N -1 0 370.387 -0.040 20 0 FBADRM COc1ccc(CN(C)C(=O)CS(=O)(=O)c2n[nH]c(=O)[n-]2)cc1OC ZINC000506929416 484042425 /nfs/dbraw/zinc/04/24/25/484042425.db2.gz UGSVCNJNFAUMIE-UHFFFAOYSA-N -1 0 370.387 -0.040 20 0 FBADRM COc1ccc(CCNC(=O)CS(=O)(=O)c2n[nH]c(=O)[n-]2)cc1OC ZINC000506931109 484041928 /nfs/dbraw/zinc/04/19/28/484041928.db2.gz OYJNEZKFGWXAQV-UHFFFAOYSA-N -1 0 370.387 -0.340 20 0 FBADRM O=C(CS(=O)(=O)c1n[nH]c(=O)[n-]1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000506933357 484042540 /nfs/dbraw/zinc/04/25/40/484042540.db2.gz WPFUWXRFSDAPGX-UHFFFAOYSA-N -1 0 365.371 -0.185 20 0 FBADRM NC(=O)CCN(C(=O)CS(=O)(=O)c1n[nH]c(=O)[n-]1)c1ccc(F)cc1 ZINC000506946672 484041769 /nfs/dbraw/zinc/04/17/69/484041769.db2.gz SAJHRWGKPHLJEI-UHFFFAOYSA-N -1 0 371.350 -0.668 20 0 FBADRM NC(=O)CCN(Cc1ccccc1)C(=O)CS(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000506947180 484042453 /nfs/dbraw/zinc/04/24/53/484042453.db2.gz UHOAOUOHIRGSAY-UHFFFAOYSA-N -1 0 367.387 -0.812 20 0 FBADRM COC(=O)c1cnc(S(=O)(=O)[C@H](C)C(=O)N2CCN(C(C)=O)CC2)[n-]1 ZINC000506947626 484041780 /nfs/dbraw/zinc/04/17/80/484041780.db2.gz ZHHDCBKEEZHJRO-SECBINFHSA-N -1 0 372.403 -0.951 20 0 FBADRM COC(=O)c1cnc(S(=O)(=O)[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)[n-]1 ZINC000506947627 484042286 /nfs/dbraw/zinc/04/22/86/484042286.db2.gz ZHHDCBKEEZHJRO-VIFPVBQESA-N -1 0 372.403 -0.951 20 0 FBADRM O=C(CS(=O)(=O)c1n[nH]c(=O)[n-]1)NCCOc1ccc2c(c1)OCO2 ZINC000506948699 484042416 /nfs/dbraw/zinc/04/24/16/484042416.db2.gz XSAUKZPTWFWYLI-UHFFFAOYSA-N -1 0 370.343 -0.792 20 0 FBADRM COC(=O)c1cnc(S(=O)(=O)CC(=O)N2CCC[C@H](NC(C)=O)C2)[n-]1 ZINC000506959499 484043936 /nfs/dbraw/zinc/04/39/36/484043936.db2.gz CGHHGANAKUXHLG-JTQLQIEISA-N -1 0 372.403 -0.903 20 0 FBADRM COC(=O)c1cnc(S(=O)(=O)CC(=O)N2CCC[C@@H](NC(C)=O)C2)[n-]1 ZINC000506959500 484043620 /nfs/dbraw/zinc/04/36/20/484043620.db2.gz CGHHGANAKUXHLG-SNVBAGLBSA-N -1 0 372.403 -0.903 20 0 FBADRM COCCOc1ccc(CNC(=O)CS(=O)(=O)c2n[nH]c(=O)[n-]2)cc1 ZINC000506965484 484043279 /nfs/dbraw/zinc/04/32/79/484043279.db2.gz WCQAPWMDSNBHFG-UHFFFAOYSA-N -1 0 370.387 -0.374 20 0 FBADRM CN(C)C(=O)CN(C)S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000507006508 484043178 /nfs/dbraw/zinc/04/31/78/484043178.db2.gz HSTAJOZBUBXEDC-UHFFFAOYSA-N -1 0 358.372 -0.135 20 0 FBADRM NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000507007045 484043777 /nfs/dbraw/zinc/04/37/77/484043777.db2.gz IQRCFSDGNOFJAT-JTQLQIEISA-N -1 0 356.356 -0.206 20 0 FBADRM CCCNC(=O)CNS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000507009267 484043792 /nfs/dbraw/zinc/04/37/92/484043792.db2.gz XTYVYKNKRCDKFF-UHFFFAOYSA-N -1 0 358.372 -0.040 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NCCN2CCOCC2)cc2c1OCCO2 ZINC000507014197 484043026 /nfs/dbraw/zinc/04/30/26/484043026.db2.gz VLIZWJAMKOMIEQ-UHFFFAOYSA-N -1 0 372.399 -0.234 20 0 FBADRM CC(C)NC(=O)CNS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000507025690 484043082 /nfs/dbraw/zinc/04/30/82/484043082.db2.gz KQHGBGALEJNMID-UHFFFAOYSA-N -1 0 358.372 -0.041 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCNC(=O)C3)cc2)[n-]1 ZINC000507104188 484045065 /nfs/dbraw/zinc/04/50/65/484045065.db2.gz QJHDVCKZZGBJIB-UHFFFAOYSA-N -1 0 358.354 -0.547 20 0 FBADRM Cn1cc(CNS(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)cn1 ZINC000507288396 484048277 /nfs/dbraw/zinc/04/82/77/484048277.db2.gz CNAXAFPJCXVVBS-UHFFFAOYSA-N -1 0 352.372 -0.287 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])c1 ZINC000507427312 484052810 /nfs/dbraw/zinc/05/28/10/484052810.db2.gz WSPGLMXTRNRQID-NEPJUHHUSA-N -1 0 369.399 -0.240 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])c1 ZINC000507427316 484053490 /nfs/dbraw/zinc/05/34/90/484053490.db2.gz WSPGLMXTRNRQID-NWDGAFQWSA-N -1 0 369.399 -0.240 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@H]2CC[C@@H]2C(=O)[O-])c1 ZINC000507427318 484052886 /nfs/dbraw/zinc/05/28/86/484052886.db2.gz WSPGLMXTRNRQID-RYUDHWBXSA-N -1 0 369.399 -0.240 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c1 ZINC000507427320 484053501 /nfs/dbraw/zinc/05/35/01/484053501.db2.gz WSPGLMXTRNRQID-VXGBXAGGSA-N -1 0 369.399 -0.240 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCCn3cncn3)cc2)[n-]1 ZINC000507660127 484058069 /nfs/dbraw/zinc/05/80/69/484058069.db2.gz YAGFDKQBZMIETA-UHFFFAOYSA-N -1 0 370.369 -0.097 20 0 FBADRM C[C@](O)(Cn1ccccc1=O)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000507854854 484065764 /nfs/dbraw/zinc/06/57/64/484065764.db2.gz IBAQIHZAHKQNIB-INIZCTEOSA-N -1 0 356.342 -0.081 20 0 FBADRM C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000507854855 484065595 /nfs/dbraw/zinc/06/55/95/484065595.db2.gz IBAQIHZAHKQNIB-MRXNPFEDSA-N -1 0 356.342 -0.081 20 0 FBADRM O=C(CN1CCS(=O)(=O)CC1)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000507861181 484065229 /nfs/dbraw/zinc/06/52/29/484065229.db2.gz GJXBVSHRZORFQJ-UHFFFAOYSA-N -1 0 352.376 -0.963 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)cn1 ZINC000507866440 484066733 /nfs/dbraw/zinc/06/67/33/484066733.db2.gz ZVLINCNIKDGWIO-UHFFFAOYSA-N -1 0 361.343 -0.337 20 0 FBADRM O=C(CNC(=O)c1ncccc1O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000507867901 484066719 /nfs/dbraw/zinc/06/67/19/484066719.db2.gz FHOSHJDIUCNTKB-UHFFFAOYSA-N -1 0 355.314 -0.163 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)co1 ZINC000507871004 484067015 /nfs/dbraw/zinc/06/70/15/484067015.db2.gz DKBPTCXESDBGDJ-UHFFFAOYSA-N -1 0 350.316 -0.139 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000507872940 484067418 /nfs/dbraw/zinc/06/74/18/484067418.db2.gz FKVYCAZRLDVVPB-UHFFFAOYSA-N -1 0 354.392 -0.022 20 0 FBADRM CN1CC(=O)N(CCCC(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)C1=O ZINC000507873533 484066970 /nfs/dbraw/zinc/06/69/70/484066970.db2.gz NFIBQZNSUAUSDZ-UHFFFAOYSA-N -1 0 359.346 -0.019 20 0 FBADRM COCCNC(=O)Cn1cc([N-]S(=O)(=O)c2c(C)cnn2C)cn1 ZINC000507933795 484068668 /nfs/dbraw/zinc/06/86/68/484068668.db2.gz DLUWOTFLQOWJPA-UHFFFAOYSA-N -1 0 356.408 -0.512 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)N(CC(=O)[O-])c1ccccc1)c(=O)n2C ZINC000508007229 484070272 /nfs/dbraw/zinc/07/02/72/484070272.db2.gz LBIPELMHHTXOBL-UHFFFAOYSA-N -1 0 371.353 -0.449 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N(CC(=O)[O-])c2ccccc2)c1 ZINC000508011364 484070357 /nfs/dbraw/zinc/07/03/57/484070357.db2.gz ALQDIWXLXXJKJI-UHFFFAOYSA-N -1 0 352.372 -0.184 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N(CC(=O)[O-])c2ccccc2)cn1 ZINC000508017026 484069872 /nfs/dbraw/zinc/06/98/72/484069872.db2.gz OUONIXYLZKPQMJ-UHFFFAOYSA-N -1 0 352.372 -0.184 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)NCCCOCCO)s1 ZINC000508058349 484070983 /nfs/dbraw/zinc/07/09/83/484070983.db2.gz NDQLMEAGAUOTEC-UHFFFAOYSA-N -1 0 351.450 -0.146 20 0 FBADRM CN(C)c1n[nH]c([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)n1 ZINC000508066187 484071070 /nfs/dbraw/zinc/07/10/70/484071070.db2.gz AJNLUOVNJVNWDG-UHFFFAOYSA-N -1 0 351.348 -0.799 20 0 FBADRM CN(C)c1n[nH]c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)n1 ZINC000508067720 484071146 /nfs/dbraw/zinc/07/11/46/484071146.db2.gz JWTZHDNABGJQLG-UHFFFAOYSA-N -1 0 350.360 -0.103 20 0 FBADRM CN(C)C(=O)c1ccnc(NC(=O)CNS(=O)(=O)c2cn(C)cn2)c1 ZINC000508068427 484071119 /nfs/dbraw/zinc/07/11/19/484071119.db2.gz CUZAALOFQLFKKB-UHFFFAOYSA-N -1 0 366.403 -0.566 20 0 FBADRM COC(=O)c1ccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(F)c1 ZINC000508092717 484073950 /nfs/dbraw/zinc/07/39/50/484073950.db2.gz FDZXJNNWKPZKIA-UHFFFAOYSA-N -1 0 371.346 -0.190 20 0 FBADRM COCCOc1ccnc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)n1 ZINC000508098397 484072544 /nfs/dbraw/zinc/07/25/44/484072544.db2.gz WNUBELLWWUENSL-UHFFFAOYSA-N -1 0 355.376 -0.260 20 0 FBADRM CS(=O)(=O)Nc1cncc(C(=O)NCCCN2CCNC(=O)C2)c1 ZINC000508124526 484072923 /nfs/dbraw/zinc/07/29/23/484072923.db2.gz IDZTUZMQNPENDJ-UHFFFAOYSA-N -1 0 355.420 -0.995 20 0 FBADRM CN(C)c1n[nH]c([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)n1 ZINC000508128935 484073393 /nfs/dbraw/zinc/07/33/93/484073393.db2.gz QURVQTNLQFVVIR-UHFFFAOYSA-N -1 0 351.392 -0.138 20 0 FBADRM CN(C)S(=O)(=O)C[C@@H]([N-]S(=O)(=O)c1ccn(C)n1)C(F)(F)F ZINC000508129695 484073723 /nfs/dbraw/zinc/07/37/23/484073723.db2.gz BSEARMQGVWQAEE-SSDOTTSWSA-N -1 0 364.371 -0.479 20 0 FBADRM CN(C)S(=O)(=O)C[C@H]([N-]S(=O)(=O)c1ccn(C)n1)C(F)(F)F ZINC000508129697 484072747 /nfs/dbraw/zinc/07/27/47/484072747.db2.gz BSEARMQGVWQAEE-ZETCQYMHSA-N -1 0 364.371 -0.479 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nc(N(C)C)n[nH]2)cc1C ZINC000508141013 484072624 /nfs/dbraw/zinc/07/26/24/484072624.db2.gz CPOFUPRXDLJBNX-UHFFFAOYSA-N -1 0 374.448 -0.112 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000508207458 484074726 /nfs/dbraw/zinc/07/47/26/484074726.db2.gz XSCBTYCXBYMVRE-UHFFFAOYSA-N -1 0 351.388 -0.059 20 0 FBADRM CCOC(=O)c1cnc([N-]S(=O)(=O)c2cnn(CC(=O)OC)c2)n1C ZINC000508209219 484075275 /nfs/dbraw/zinc/07/52/75/484075275.db2.gz XYOZDAMYYDHMHV-UHFFFAOYSA-N -1 0 371.375 -0.233 20 0 FBADRM CC(C)(C)c1nc(=NC(=O)C(=O)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)s[n-]1 ZINC000508341594 484078291 /nfs/dbraw/zinc/07/82/91/484078291.db2.gz MZZAHRWEYBLJDM-DTWKUNHWSA-N -1 0 372.472 -0.159 20 0 FBADRM CN(C)C(=O)C[NH+]1CCC(NC(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC000508383589 484079967 /nfs/dbraw/zinc/07/99/67/484079967.db2.gz POOAMBMCRPBFAW-UHFFFAOYSA-N -1 0 363.418 -0.814 20 0 FBADRM CCNS(=O)(=O)c1cccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1 ZINC000508484277 484081722 /nfs/dbraw/zinc/08/17/22/484081722.db2.gz MDUCBHRXSYZPNE-UHFFFAOYSA-N -1 0 373.416 -0.241 20 0 FBADRM Cn1c2ncn(CC3=Nc4ccccc4S(=O)(=O)[N-]3)c2c(=O)n(C)c1=O ZINC000508523825 484081302 /nfs/dbraw/zinc/08/13/02/484081302.db2.gz YINKCMGIKXTFDE-UHFFFAOYSA-N -1 0 374.382 -0.544 20 0 FBADRM CCOC(=O)c1cn(C)[n-]c1=NC(=O)C(=O)N=c1cc2n([nH]1)CCCC2 ZINC000508797864 484088938 /nfs/dbraw/zinc/08/89/38/484088938.db2.gz XOJSTHXYLSJWEH-UHFFFAOYSA-N -1 0 360.374 -0.449 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000509045710 484094314 /nfs/dbraw/zinc/09/43/14/484094314.db2.gz LAQSFGWSTNFLSW-TXEJJXNPSA-N -1 0 370.383 -0.711 20 0 FBADRM COCCN1CN(S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)CC1=O ZINC000509047027 484093865 /nfs/dbraw/zinc/09/38/65/484093865.db2.gz SGISEWUQKRXTLE-UHFFFAOYSA-N -1 0 372.399 -0.105 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2C[C@@H]3COC[C@H](C2)O3)cc2c1OCCO2 ZINC000509048534 484094528 /nfs/dbraw/zinc/09/45/28/484094528.db2.gz WMZKAWRDRGRGLY-AOOOYVTPSA-N -1 0 371.367 -0.056 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(C)(C)NS(C)(=O)=O)ccc1[O-] ZINC000509051735 484093957 /nfs/dbraw/zinc/09/39/57/484093957.db2.gz HTTQQBCZUXRKFC-UHFFFAOYSA-N -1 0 365.433 -0.433 20 0 FBADRM CCS(=O)(=O)NCC(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1 ZINC000509056422 484094412 /nfs/dbraw/zinc/09/44/12/484094412.db2.gz XLEFCOYWFCQWCF-UHFFFAOYSA-N -1 0 351.406 -0.822 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CS(=O)(=O)N(C)C)ccc1[O-] ZINC000509057891 484094615 /nfs/dbraw/zinc/09/46/15/484094615.db2.gz QSUPKYIKBWUEKI-UHFFFAOYSA-N -1 0 351.406 -0.870 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)NS(C)(=O)=O)ccc1[O-] ZINC000509068125 484093789 /nfs/dbraw/zinc/09/37/89/484093789.db2.gz JGZIWEVROWHDKG-SSDOTTSWSA-N -1 0 351.406 -0.824 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@H](C)NS(C)(=O)=O)ccc1[O-] ZINC000509068131 484094476 /nfs/dbraw/zinc/09/44/76/484094476.db2.gz JGZIWEVROWHDKG-ZETCQYMHSA-N -1 0 351.406 -0.824 20 0 FBADRM CCS(=O)(=O)N(C)CC(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1 ZINC000509071157 484093948 /nfs/dbraw/zinc/09/39/48/484093948.db2.gz PRBWMNFIPFGWGD-UHFFFAOYSA-N -1 0 365.433 -0.480 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CN2CCCS2(=O)=O)ccc1[O-] ZINC000509082187 484094504 /nfs/dbraw/zinc/09/45/04/484094504.db2.gz JANGOIOVHJCXBE-UHFFFAOYSA-N -1 0 363.417 -0.726 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)c2cc(C(N)=O)cn2C)ccc1[O-] ZINC000509082286 484093768 /nfs/dbraw/zinc/09/37/68/484093768.db2.gz OVGNTDOTXQJRFH-UHFFFAOYSA-N -1 0 352.372 -0.010 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CCSc2nnnn2C)ccc1[O-] ZINC000509083139 484094437 /nfs/dbraw/zinc/09/44/37/484094437.db2.gz RJAOVPHMIKUCAI-UHFFFAOYSA-N -1 0 372.432 -0.055 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CCC(=O)N2CCOCC2)ccc1[O-] ZINC000509084731 484095764 /nfs/dbraw/zinc/09/57/64/484095764.db2.gz VRWDECKRODMUFQ-UHFFFAOYSA-N -1 0 371.415 -0.122 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CN(C)CC(=O)NC(C)C)ccc1[O-] ZINC000509085170 484095722 /nfs/dbraw/zinc/09/57/22/484095722.db2.gz WXFLLANZSWQNRY-UHFFFAOYSA-N -1 0 372.447 -0.305 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@H](C)CS(C)(=O)=O)ccc1[O-] ZINC000509087125 484096002 /nfs/dbraw/zinc/09/60/02/484096002.db2.gz QCYTZKTWXGVTFP-MRVPVSSYSA-N -1 0 350.418 -0.081 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)CS(C)(=O)=O)ccc1[O-] ZINC000509087126 484095368 /nfs/dbraw/zinc/09/53/68/484095368.db2.gz QCYTZKTWXGVTFP-QMMMGPOBSA-N -1 0 350.418 -0.081 20 0 FBADRM CN(C[C@H]1CCCN(S(=O)(=O)[N-]CC(F)(F)F)C1)S(C)(=O)=O ZINC000509123640 484096083 /nfs/dbraw/zinc/09/60/83/484096083.db2.gz GTPAPUVFHIETMP-SECBINFHSA-N -1 0 367.415 -0.014 20 0 FBADRM CN(C[C@@H]1CCCN(S(=O)(=O)[N-]CC(F)(F)F)C1)S(C)(=O)=O ZINC000509123641 484095905 /nfs/dbraw/zinc/09/59/05/484095905.db2.gz GTPAPUVFHIETMP-VIFPVBQESA-N -1 0 367.415 -0.014 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCC(=O)[O-])c1 ZINC000509188062 484097488 /nfs/dbraw/zinc/09/74/88/484097488.db2.gz WVMYQKNAIVFJHT-UHFFFAOYSA-N -1 0 359.404 -0.530 20 0 FBADRM Cc1cc(CNC(=O)CSc2n[nH]c(=O)[n-]2)ccc1S(N)(=O)=O ZINC000509206609 484099041 /nfs/dbraw/zinc/09/90/41/484099041.db2.gz AOMVDNOJVMUBMM-UHFFFAOYSA-N -1 0 357.417 -0.125 20 0 FBADRM O=C([O-])CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000509210787 484098878 /nfs/dbraw/zinc/09/88/78/484098878.db2.gz VWWCIBQCYJKTFS-IJLUTSLNSA-N -1 0 360.432 -0.313 20 0 FBADRM O=C([O-])CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000509210788 484098741 /nfs/dbraw/zinc/09/87/41/484098741.db2.gz VWWCIBQCYJKTFS-QJPTWQEYSA-N -1 0 360.432 -0.313 20 0 FBADRM O=C([O-])CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000509210789 484098545 /nfs/dbraw/zinc/09/85/45/484098545.db2.gz VWWCIBQCYJKTFS-TUAOUCFPSA-N -1 0 360.432 -0.313 20 0 FBADRM O=C([O-])CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000509210790 484098306 /nfs/dbraw/zinc/09/83/06/484098306.db2.gz VWWCIBQCYJKTFS-UTUOFQBUSA-N -1 0 360.432 -0.313 20 0 FBADRM CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2cccc3c2OCO3)n1 ZINC000509217692 484098531 /nfs/dbraw/zinc/09/85/31/484098531.db2.gz BLQBOKYLAHIFFC-UHFFFAOYSA-N -1 0 353.360 -0.104 20 0 FBADRM Cc1cc(C(=O)NCCNC(=O)c2ccn[nH]2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000509394969 484103267 /nfs/dbraw/zinc/10/32/67/484103267.db2.gz RNRQJFXNENOQNY-UHFFFAOYSA-N -1 0 357.330 -0.373 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccn(CC(=O)N(C)C)n2)cn1C ZINC000509566741 484105270 /nfs/dbraw/zinc/10/52/70/484105270.db2.gz GWVHMAIDCYRARW-UHFFFAOYSA-N -1 0 368.419 -0.530 20 0 FBADRM CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)n1 ZINC000509571073 484105529 /nfs/dbraw/zinc/10/55/29/484105529.db2.gz PUWBQCHHXWSRKO-UHFFFAOYSA-N -1 0 351.388 -0.129 20 0 FBADRM C[C@H](NC(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C)c1)C(N)=O ZINC000509596386 484105717 /nfs/dbraw/zinc/10/57/17/484105717.db2.gz PWOSWQDUKFULJS-ZETCQYMHSA-N -1 0 357.417 -0.114 20 0 FBADRM CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)n1 ZINC000509603596 484107143 /nfs/dbraw/zinc/10/71/43/484107143.db2.gz RMPKGLFBNTYATQ-UHFFFAOYSA-N -1 0 351.388 -0.129 20 0 FBADRM COCCn1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)n1 ZINC000509605457 484107004 /nfs/dbraw/zinc/10/70/04/484107004.db2.gz WDYJYLKTGWLQOV-UHFFFAOYSA-N -1 0 360.417 -0.022 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCc3nncn3C3CC3)cc-2c(=O)[n-]1 ZINC000509765770 484113484 /nfs/dbraw/zinc/11/34/84/484113484.db2.gz LBYJBCFBUYJURJ-UHFFFAOYSA-N -1 0 363.359 -0.159 20 0 FBADRM Cn1nnc2cc(C(=O)Nc3nnc([N-]S(C)(=O)=O)s3)cnc21 ZINC000509843179 484115742 /nfs/dbraw/zinc/11/57/42/484115742.db2.gz QJRGSZZQMYDZEH-UHFFFAOYSA-N -1 0 354.377 -0.161 20 0 FBADRM O=C(CNC(=O)c1cc(F)c(F)c([O-])c1F)NCCN1CCOCC1 ZINC000509851098 484115430 /nfs/dbraw/zinc/11/54/30/484115430.db2.gz PJQPRSFELFFNJC-UHFFFAOYSA-N -1 0 361.320 -0.012 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)CNC(=O)c2ncccc2O)s1 ZINC000509987695 484118737 /nfs/dbraw/zinc/11/87/37/484118737.db2.gz AMPSOSAFWUMYKL-UHFFFAOYSA-N -1 0 372.388 -0.621 20 0 FBADRM CCOC(=O)C(NC(=O)CNC(=O)c1ncccc1O)C(=O)OCC ZINC000509996391 658966011 /nfs/dbraw/zinc/96/60/11/658966011.db2.gz GDHFQMLYHYRRES-UHFFFAOYSA-N -1 0 353.331 -0.872 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C2(C(=O)[O-])CC2)c1 ZINC000510135044 484121165 /nfs/dbraw/zinc/12/11/65/484121165.db2.gz NHAYMIQORRIDMX-UHFFFAOYSA-N -1 0 355.372 -0.486 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000510271473 484126374 /nfs/dbraw/zinc/12/63/74/484126374.db2.gz PMOQXUWHHLACNU-JTQLQIEISA-N -1 0 361.424 -0.828 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000510271479 484125282 /nfs/dbraw/zinc/12/52/82/484125282.db2.gz PMOQXUWHHLACNU-SNVBAGLBSA-N -1 0 361.424 -0.828 20 0 FBADRM COc1ccc(C(=O)NCC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cc1 ZINC000510279150 484126058 /nfs/dbraw/zinc/12/60/58/484126058.db2.gz MXCROURMULBZIR-LLVKDONJSA-N -1 0 365.386 -0.137 20 0 FBADRM COc1ccc(C(=O)NCC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cc1 ZINC000510279151 484126329 /nfs/dbraw/zinc/12/63/29/484126329.db2.gz MXCROURMULBZIR-NSHDSACASA-N -1 0 365.386 -0.137 20 0 FBADRM CC(=O)NCCN(C(=O)c1nn(C)c2ccccc2c1=O)[C@@H](C)C(=O)[O-] ZINC000510280107 484126476 /nfs/dbraw/zinc/12/64/76/484126476.db2.gz RPBVUTZYNYYQOC-JTQLQIEISA-N -1 0 360.370 -0.015 20 0 FBADRM CC(=O)NCCN(C(=O)c1nn(C)c2ccccc2c1=O)[C@H](C)C(=O)[O-] ZINC000510280108 484126227 /nfs/dbraw/zinc/12/62/27/484126227.db2.gz RPBVUTZYNYYQOC-SNVBAGLBSA-N -1 0 360.370 -0.015 20 0 FBADRM CNS(=O)(=O)c1cccc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c1 ZINC000510294132 484126838 /nfs/dbraw/zinc/12/68/38/484126838.db2.gz FXDVFUPBGNPIIR-JTQLQIEISA-N -1 0 371.415 -0.354 20 0 FBADRM CNS(=O)(=O)c1cccc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c1 ZINC000510294133 484126824 /nfs/dbraw/zinc/12/68/24/484126824.db2.gz FXDVFUPBGNPIIR-SNVBAGLBSA-N -1 0 371.415 -0.354 20 0 FBADRM CC(=O)NCCN(C(=O)c1cc(S(N)(=O)=O)c(C)o1)[C@H](C)C(=O)[O-] ZINC000510294630 484127670 /nfs/dbraw/zinc/12/76/70/484127670.db2.gz IUSMKOUUPYXMLJ-SSDOTTSWSA-N -1 0 361.376 -0.713 20 0 FBADRM CC(=O)NCCN(C(=O)c1cc(S(N)(=O)=O)c(C)o1)[C@@H](C)C(=O)[O-] ZINC000510294632 484127064 /nfs/dbraw/zinc/12/70/64/484127064.db2.gz IUSMKOUUPYXMLJ-ZETCQYMHSA-N -1 0 361.376 -0.713 20 0 FBADRM CC(=O)NCCN(C(=O)c1cccc(OCC(N)=O)c1)[C@@H](C)C(=O)[O-] ZINC000510306704 484127800 /nfs/dbraw/zinc/12/78/00/484127800.db2.gz KIPDLLGDHNAACW-JTQLQIEISA-N -1 0 351.359 -0.398 20 0 FBADRM CC(=O)NCCN(C(=O)c1cccc(OCC(N)=O)c1)[C@H](C)C(=O)[O-] ZINC000510306705 484127129 /nfs/dbraw/zinc/12/71/29/484127129.db2.gz KIPDLLGDHNAACW-SNVBAGLBSA-N -1 0 351.359 -0.398 20 0 FBADRM CC(=O)NCCN(C(=O)Cn1ncc(=O)c2ccccc21)[C@H](C)C(=O)[O-] ZINC000510306871 484126844 /nfs/dbraw/zinc/12/68/44/484126844.db2.gz KNTZHAVUAUCOGW-LLVKDONJSA-N -1 0 360.370 -0.166 20 0 FBADRM CC(=O)NCCN(C(=O)Cn1ncc(=O)c2ccccc21)[C@@H](C)C(=O)[O-] ZINC000510306879 484127542 /nfs/dbraw/zinc/12/75/42/484127542.db2.gz KNTZHAVUAUCOGW-NSHDSACASA-N -1 0 360.370 -0.166 20 0 FBADRM CC(=O)NCCN(C(=O)Cn1nnc2ccccc2c1=O)[C@@H](C)C(=O)[O-] ZINC000510308022 484127753 /nfs/dbraw/zinc/12/77/53/484127753.db2.gz PCMCGDHOXRDEOZ-JTQLQIEISA-N -1 0 361.358 -0.771 20 0 FBADRM CC(=O)NCCN(C(=O)Cn1nnc2ccccc2c1=O)[C@H](C)C(=O)[O-] ZINC000510308028 484127678 /nfs/dbraw/zinc/12/76/78/484127678.db2.gz PCMCGDHOXRDEOZ-SNVBAGLBSA-N -1 0 361.358 -0.771 20 0 FBADRM CC(=O)NCCN(C(=O)Cc1nc2nc(C)cc(C)n2n1)[C@H](C)C(=O)[O-] ZINC000510308677 484127240 /nfs/dbraw/zinc/12/72/40/484127240.db2.gz QTXMWIKDPJWJAG-LLVKDONJSA-N -1 0 362.390 -0.279 20 0 FBADRM CC(=O)NCCN(C(=O)Cc1nc2nc(C)cc(C)n2n1)[C@@H](C)C(=O)[O-] ZINC000510308686 484126907 /nfs/dbraw/zinc/12/69/07/484126907.db2.gz QTXMWIKDPJWJAG-NSHDSACASA-N -1 0 362.390 -0.279 20 0 FBADRM CN(C)S(=O)(=O)C[C@H]([N-]S(=O)(=O)C[C@H]1CCCO1)C(F)(F)F ZINC000510361564 484128328 /nfs/dbraw/zinc/12/83/28/484128328.db2.gz DEXAYRHFADGNBS-BDAKNGLRSA-N -1 0 368.399 -0.093 20 0 FBADRM CN(C)S(=O)(=O)C[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCO1)C(F)(F)F ZINC000510361565 484128858 /nfs/dbraw/zinc/12/88/58/484128858.db2.gz DEXAYRHFADGNBS-DTWKUNHWSA-N -1 0 368.399 -0.093 20 0 FBADRM CN(C)S(=O)(=O)C[C@H]([N-]S(=O)(=O)C[C@@H]1CCCO1)C(F)(F)F ZINC000510361566 484128363 /nfs/dbraw/zinc/12/83/63/484128363.db2.gz DEXAYRHFADGNBS-IUCAKERBSA-N -1 0 368.399 -0.093 20 0 FBADRM CN(C)S(=O)(=O)C[C@@H]([N-]S(=O)(=O)C[C@H]1CCCO1)C(F)(F)F ZINC000510361567 484129113 /nfs/dbraw/zinc/12/91/13/484129113.db2.gz DEXAYRHFADGNBS-RKDXNWHRSA-N -1 0 368.399 -0.093 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-][C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000510387026 484130849 /nfs/dbraw/zinc/13/08/49/484130849.db2.gz UFCIWHYBCCKQON-HTQZYQBOSA-N -1 0 356.388 -0.237 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-][C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000510387027 484130166 /nfs/dbraw/zinc/13/01/66/484130166.db2.gz UFCIWHYBCCKQON-JGVFFNPUSA-N -1 0 356.388 -0.237 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-][C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000510387028 484130762 /nfs/dbraw/zinc/13/07/62/484130762.db2.gz UFCIWHYBCCKQON-SFYZADRCSA-N -1 0 356.388 -0.237 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-][C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000510387029 484130158 /nfs/dbraw/zinc/13/01/58/484130158.db2.gz UFCIWHYBCCKQON-YUMQZZPRSA-N -1 0 356.388 -0.237 20 0 FBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-][C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000510404318 484130213 /nfs/dbraw/zinc/13/02/13/484130213.db2.gz NVEUFNVFMOWMRX-CIUDSAMLSA-N -1 0 368.399 -0.095 20 0 FBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-][C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000510404319 484130571 /nfs/dbraw/zinc/13/05/71/484130571.db2.gz NVEUFNVFMOWMRX-DJLDLDEBSA-N -1 0 368.399 -0.095 20 0 FBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-][C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000510404320 484130521 /nfs/dbraw/zinc/13/05/21/484130521.db2.gz NVEUFNVFMOWMRX-XHNCKOQMSA-N -1 0 368.399 -0.095 20 0 FBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-][C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000510404321 484130136 /nfs/dbraw/zinc/13/01/36/484130136.db2.gz NVEUFNVFMOWMRX-YIZRAAEISA-N -1 0 368.399 -0.095 20 0 FBADRM CN(C)S(=O)(=O)C[C@H]([N-]S(=O)(=O)C[C@@H]1CCOC1)C(F)(F)F ZINC000510419835 484132093 /nfs/dbraw/zinc/13/20/93/484132093.db2.gz AUTXWDLWJVPDNX-BDAKNGLRSA-N -1 0 368.399 -0.235 20 0 FBADRM CN(C)S(=O)(=O)C[C@@H]([N-]S(=O)(=O)C[C@H]1CCOC1)C(F)(F)F ZINC000510419836 484132542 /nfs/dbraw/zinc/13/25/42/484132542.db2.gz AUTXWDLWJVPDNX-DTWKUNHWSA-N -1 0 368.399 -0.235 20 0 FBADRM CN(C)S(=O)(=O)C[C@H]([N-]S(=O)(=O)C[C@H]1CCOC1)C(F)(F)F ZINC000510419837 484131858 /nfs/dbraw/zinc/13/18/58/484131858.db2.gz AUTXWDLWJVPDNX-IUCAKERBSA-N -1 0 368.399 -0.235 20 0 FBADRM CN(C)S(=O)(=O)C[C@@H]([N-]S(=O)(=O)C[C@@H]1CCOC1)C(F)(F)F ZINC000510419838 484132572 /nfs/dbraw/zinc/13/25/72/484132572.db2.gz AUTXWDLWJVPDNX-RKDXNWHRSA-N -1 0 368.399 -0.235 20 0 FBADRM CN(C)S(=O)(=O)C[C@@H]([N-]S(=O)(=O)[C@@H]1CCOC1)C(F)(F)F ZINC000510420526 484132302 /nfs/dbraw/zinc/13/23/02/484132302.db2.gz FHUTYWBSRKVZSH-HTQZYQBOSA-N -1 0 354.372 -0.483 20 0 FBADRM CN(C)S(=O)(=O)C[C@@H]([N-]S(=O)(=O)[C@H]1CCOC1)C(F)(F)F ZINC000510420527 484131846 /nfs/dbraw/zinc/13/18/46/484131846.db2.gz FHUTYWBSRKVZSH-JGVFFNPUSA-N -1 0 354.372 -0.483 20 0 FBADRM CN(C)S(=O)(=O)C[C@H]([N-]S(=O)(=O)[C@@H]1CCOC1)C(F)(F)F ZINC000510420528 484132532 /nfs/dbraw/zinc/13/25/32/484132532.db2.gz FHUTYWBSRKVZSH-SFYZADRCSA-N -1 0 354.372 -0.483 20 0 FBADRM CN(C)S(=O)(=O)C[C@H]([N-]S(=O)(=O)[C@H]1CCOC1)C(F)(F)F ZINC000510420529 484132104 /nfs/dbraw/zinc/13/21/04/484132104.db2.gz FHUTYWBSRKVZSH-YUMQZZPRSA-N -1 0 354.372 -0.483 20 0 FBADRM CCOCCS(=O)(=O)[N-][C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000510425748 484131674 /nfs/dbraw/zinc/13/16/74/484131674.db2.gz BSEVLEZMSXONTB-MRVPVSSYSA-N -1 0 356.388 -0.235 20 0 FBADRM CCOCCS(=O)(=O)[N-][C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000510426249 484132587 /nfs/dbraw/zinc/13/25/87/484132587.db2.gz BSEVLEZMSXONTB-QMMMGPOBSA-N -1 0 356.388 -0.235 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-][C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000510436467 484132226 /nfs/dbraw/zinc/13/22/26/484132226.db2.gz RINZRXCVNOGFPJ-HTQZYQBOSA-N -1 0 356.388 -0.237 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-][C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000510436468 484132170 /nfs/dbraw/zinc/13/21/70/484132170.db2.gz RINZRXCVNOGFPJ-JGVFFNPUSA-N -1 0 356.388 -0.237 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-][C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000510436469 484132556 /nfs/dbraw/zinc/13/25/56/484132556.db2.gz RINZRXCVNOGFPJ-SFYZADRCSA-N -1 0 356.388 -0.237 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-][C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000510436470 484132486 /nfs/dbraw/zinc/13/24/86/484132486.db2.gz RINZRXCVNOGFPJ-YUMQZZPRSA-N -1 0 356.388 -0.237 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000510437470 484131958 /nfs/dbraw/zinc/13/19/58/484131958.db2.gz GDKBOCLMLYBWMV-UHFFFAOYSA-N -1 0 371.466 -0.480 20 0 FBADRM COCCCS(=O)(=O)[N-][C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000510444007 484132029 /nfs/dbraw/zinc/13/20/29/484132029.db2.gz AENZFUGSLDBBCC-MRVPVSSYSA-N -1 0 356.388 -0.235 20 0 FBADRM COCCCS(=O)(=O)[N-][C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000510444009 484131910 /nfs/dbraw/zinc/13/19/10/484131910.db2.gz AENZFUGSLDBBCC-QMMMGPOBSA-N -1 0 356.388 -0.235 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCCC3(O)CCOCC3)cc-2c(=O)[n-]1 ZINC000510456669 484133372 /nfs/dbraw/zinc/13/33/72/484133372.db2.gz NKKXRFQTTROIPF-UHFFFAOYSA-N -1 0 370.387 -0.354 20 0 FBADRM CN(C)C(=O)NCCN(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000510517230 484133412 /nfs/dbraw/zinc/13/34/12/484133412.db2.gz HLLDQLIIMDVULJ-UHFFFAOYSA-N -1 0 370.391 -0.672 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN1CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000510705909 484137846 /nfs/dbraw/zinc/13/78/46/484137846.db2.gz ZGVUAMNLRMBNPN-JTQLQIEISA-N -1 0 358.445 -0.239 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN1CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000510705915 484137938 /nfs/dbraw/zinc/13/79/38/484137938.db2.gz ZGVUAMNLRMBNPN-SNVBAGLBSA-N -1 0 358.445 -0.239 20 0 FBADRM Cc1nnc([C@@H](C)NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[nH]1 ZINC000511043151 484146309 /nfs/dbraw/zinc/14/63/09/484146309.db2.gz HBCWPOBDKDZIBI-RXMQYKEDSA-N -1 0 351.348 -0.098 20 0 FBADRM Cc1nnc([C@H](C)NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[nH]1 ZINC000511043155 484145492 /nfs/dbraw/zinc/14/54/92/484145492.db2.gz HBCWPOBDKDZIBI-YFKPBYRVSA-N -1 0 351.348 -0.098 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NCC(=O)NC(C)(C)C)cn1C ZINC000511140743 484150662 /nfs/dbraw/zinc/15/06/62/484150662.db2.gz RBJGGGMLHLQZMH-UHFFFAOYSA-N -1 0 359.452 -0.572 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NCC(=O)NCc2ccco2)cn1C ZINC000511150841 484150431 /nfs/dbraw/zinc/15/04/31/484150431.db2.gz KXQUBAHAYISAOX-UHFFFAOYSA-N -1 0 369.403 -0.968 20 0 FBADRM CC[C@@H](NC(=O)CNC(=O)c1ncccc1O)C(=O)N1CCOCC1 ZINC000511163487 484150398 /nfs/dbraw/zinc/15/03/98/484150398.db2.gz XFVVMDLLIXLJBO-LLVKDONJSA-N -1 0 350.375 -0.729 20 0 FBADRM CC[C@H](NC(=O)CNC(=O)c1ncccc1O)C(=O)N1CCOCC1 ZINC000511163489 484150980 /nfs/dbraw/zinc/15/09/80/484150980.db2.gz XFVVMDLLIXLJBO-NSHDSACASA-N -1 0 350.375 -0.729 20 0 FBADRM O=C(CNC(=O)c1ncccc1O)Nc1ccc(CC(=O)NCCO)cc1 ZINC000511173911 484150441 /nfs/dbraw/zinc/15/04/41/484150441.db2.gz QDKADNSQFBKQFW-UHFFFAOYSA-N -1 0 372.381 -0.193 20 0 FBADRM CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](C)O)cc1OC ZINC000511174678 484150941 /nfs/dbraw/zinc/15/09/41/484150941.db2.gz UGQDRINNGXOWBW-SECBINFHSA-N -1 0 359.404 -0.108 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)Nc2ccc(CC(N)=O)cc2)cn1C ZINC000511181772 484151026 /nfs/dbraw/zinc/15/10/26/484151026.db2.gz BQEXUYIPHTVSBD-UHFFFAOYSA-N -1 0 365.415 -0.327 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N[C@H](C)c2cnn(C)c2C)cn1C ZINC000511197020 484150810 /nfs/dbraw/zinc/15/08/10/484150810.db2.gz HNBAUENABXFVCW-SECBINFHSA-N -1 0 354.436 -0.074 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N[C@@H](C)c2cnn(C)c2C)cn1C ZINC000511197021 484150892 /nfs/dbraw/zinc/15/08/92/484150892.db2.gz HNBAUENABXFVCW-VIFPVBQESA-N -1 0 354.436 -0.074 20 0 FBADRM COC(=O)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1 ZINC000511219512 484151627 /nfs/dbraw/zinc/15/16/27/484151627.db2.gz DWSSJTWBIFKCPB-UHFFFAOYSA-N -1 0 374.400 -0.338 20 0 FBADRM NC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000511241405 484152075 /nfs/dbraw/zinc/15/20/75/484152075.db2.gz ONGRJMNPYXXQPX-ZETCQYMHSA-N -1 0 359.148 -0.148 20 0 FBADRM C[C@@H](NC(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C)c1)C(N)=O ZINC000511301635 484153373 /nfs/dbraw/zinc/15/33/73/484153373.db2.gz PWOSWQDUKFULJS-SSDOTTSWSA-N -1 0 357.417 -0.114 20 0 FBADRM CN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000511310177 484153197 /nfs/dbraw/zinc/15/31/97/484153197.db2.gz VSZNXUZOZUQFDA-SECBINFHSA-N -1 0 353.360 -0.713 20 0 FBADRM CN([C@H]1CCN(C)C1=O)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000511310178 484153455 /nfs/dbraw/zinc/15/34/55/484153455.db2.gz VSZNXUZOZUQFDA-VIFPVBQESA-N -1 0 353.360 -0.713 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)[N-]CC(F)(F)F ZINC000511357486 484156089 /nfs/dbraw/zinc/15/60/89/484156089.db2.gz FPNCHJMJUCAAEA-MRVPVSSYSA-N -1 0 353.388 -0.213 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)[N-]CC(F)(F)F ZINC000511357493 484155897 /nfs/dbraw/zinc/15/58/97/484155897.db2.gz FPNCHJMJUCAAEA-QMMMGPOBSA-N -1 0 353.388 -0.213 20 0 FBADRM COC(=O)c1cn(CCNC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)nn1 ZINC000511549008 484162425 /nfs/dbraw/zinc/16/24/25/484162425.db2.gz AGUCSIZMXUFLKS-UHFFFAOYSA-N -1 0 358.314 -0.162 20 0 FBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000511807565 484168559 /nfs/dbraw/zinc/16/85/59/484168559.db2.gz NLNRPOSECOVROE-GFCCVEGCSA-N -1 0 373.369 -0.101 20 0 FBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000511807570 484168676 /nfs/dbraw/zinc/16/86/76/484168676.db2.gz NLNRPOSECOVROE-LBPRGKRZSA-N -1 0 373.369 -0.101 20 0 FBADRM Cn1ncc2c1[n-]cc(C(=O)Nc1cnn(CC(=O)NCCO)c1)c2=O ZINC000512003243 484174385 /nfs/dbraw/zinc/17/43/85/484174385.db2.gz UNJQHIIQELIQAV-UHFFFAOYSA-N -1 0 359.346 -0.769 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)c2c[n-]c3c(cnn3C)c2=O)cn1 ZINC000512079881 484175711 /nfs/dbraw/zinc/17/57/11/484175711.db2.gz SEPSWSVQVPABMR-UHFFFAOYSA-N -1 0 373.373 -0.115 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)c2c[n-]c3c(cnn3C)c2=O)CC1 ZINC000512099615 484176281 /nfs/dbraw/zinc/17/62/81/484176281.db2.gz VBKMXNIGDWNMSG-UHFFFAOYSA-N -1 0 360.418 -0.044 20 0 FBADRM Cc1cc(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000512161080 484177633 /nfs/dbraw/zinc/17/76/33/484177633.db2.gz CYAGGMFNVIPJNE-MRVPVSSYSA-N -1 0 368.371 -0.712 20 0 FBADRM Cc1cc(C(=O)NC[C@H]2CS(=O)(=O)CCO2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000512161081 484178102 /nfs/dbraw/zinc/17/81/02/484178102.db2.gz CYAGGMFNVIPJNE-QMMMGPOBSA-N -1 0 368.371 -0.712 20 0 FBADRM CN(C)C(=O)CCN1CCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)CC1 ZINC000512166404 484177818 /nfs/dbraw/zinc/17/78/18/484177818.db2.gz TWEHQLDJOLNZAL-UHFFFAOYSA-N -1 0 360.418 -0.090 20 0 FBADRM O=C(CN1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1)NC1CC1 ZINC000512358719 484184927 /nfs/dbraw/zinc/18/49/27/484184927.db2.gz VTMCUYBLTMTHGA-UHFFFAOYSA-N -1 0 372.385 -0.528 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCCCC(N)=O)cc2)[n-]1 ZINC000512455831 484187874 /nfs/dbraw/zinc/18/78/74/484187874.db2.gz IVMOILMTYVFBOT-UHFFFAOYSA-N -1 0 360.370 -0.124 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NCCN2CCOC(C)(C)C2)cn1C ZINC000512477447 484188091 /nfs/dbraw/zinc/18/80/91/484188091.db2.gz ANCUQKTYMNPRMZ-UHFFFAOYSA-N -1 0 373.479 -0.766 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)NCCN1CCNC(=O)C1 ZINC000512489393 484189503 /nfs/dbraw/zinc/18/95/03/484189503.db2.gz POOBWICUTNBXDK-UHFFFAOYSA-N -1 0 374.850 -0.127 20 0 FBADRM CCCS(=O)(=O)[N-]c1ccccc1C(=O)NCCN1CCNC(=O)C1 ZINC000512490459 484189561 /nfs/dbraw/zinc/18/95/61/484189561.db2.gz YBWCGPWRINKVDP-UHFFFAOYSA-N -1 0 368.459 0.000 20 0 FBADRM Cc1nc(CN(C)C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)no1 ZINC000512502434 484189613 /nfs/dbraw/zinc/18/96/13/484189613.db2.gz ABOGBLGDHOGCCE-UHFFFAOYSA-N -1 0 356.408 -0.253 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)n[n-]1 ZINC000512567046 484191134 /nfs/dbraw/zinc/19/11/34/484191134.db2.gz YNMPCWYGRJOJNR-UHFFFAOYSA-N -1 0 364.343 -0.738 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CN2C(=O)COc3ccccc32)n[n-]1 ZINC000512574660 484190396 /nfs/dbraw/zinc/19/03/96/484190396.db2.gz SLERYCKZOIGPEB-UHFFFAOYSA-N -1 0 351.344 -0.428 20 0 FBADRM COc1ccc(C(=O)NCC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1 ZINC000512575760 484190426 /nfs/dbraw/zinc/19/04/26/484190426.db2.gz BDAPSHRPMHTBFG-UHFFFAOYSA-N -1 0 353.360 -0.415 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000512576460 484190955 /nfs/dbraw/zinc/19/09/55/484190955.db2.gz GDBNCLFQOXOXHN-QMMMGPOBSA-N -1 0 373.416 -0.486 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)n[n-]1 ZINC000512579671 484190879 /nfs/dbraw/zinc/19/08/79/484190879.db2.gz XKPFDTKLIFZNOS-MRVPVSSYSA-N -1 0 353.360 -0.212 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)n[n-]1 ZINC000512579678 484190523 /nfs/dbraw/zinc/19/05/23/484190523.db2.gz XKPFDTKLIFZNOS-QMMMGPOBSA-N -1 0 353.360 -0.212 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CCNS(=O)(=O)c2ccccc2)n[n-]1 ZINC000512602557 484191233 /nfs/dbraw/zinc/19/12/33/484191233.db2.gz PKZDHWWTFDQZJJ-UHFFFAOYSA-N -1 0 373.416 -0.485 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)n[n-]1 ZINC000512602613 484190818 /nfs/dbraw/zinc/19/08/18/484190818.db2.gz QKSSNZKXTYADHR-UHFFFAOYSA-N -1 0 370.391 -0.599 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CCNC(=O)Cc2ccccc2)n[n-]1 ZINC000512602732 484190711 /nfs/dbraw/zinc/19/07/11/484190711.db2.gz QRALQCXNVOSVOG-UHFFFAOYSA-N -1 0 351.388 -0.104 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CNC(=O)c2ccc(F)cc2F)n[n-]1 ZINC000512603577 484191156 /nfs/dbraw/zinc/19/11/56/484191156.db2.gz XPBNUZIBXYRZOB-UHFFFAOYSA-N -1 0 359.314 -0.145 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)Cn2c3ccccc3c(=O)[nH]c2=O)n[n-]1 ZINC000512617171 484191715 /nfs/dbraw/zinc/19/17/15/484191715.db2.gz CCMXOJUNVKQWBS-UHFFFAOYSA-N -1 0 364.343 -0.738 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)C1 ZINC000512634429 484191873 /nfs/dbraw/zinc/19/18/73/484191873.db2.gz LCYXWJUSUQVGNP-MRVPVSSYSA-N -1 0 365.437 -0.792 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)C1 ZINC000512634436 484191547 /nfs/dbraw/zinc/19/15/47/484191547.db2.gz LCYXWJUSUQVGNP-QMMMGPOBSA-N -1 0 365.437 -0.792 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)n[n-]1 ZINC000512635554 484192354 /nfs/dbraw/zinc/19/23/54/484192354.db2.gz RIXRAYDTWJXYEF-UHFFFAOYSA-N -1 0 370.391 -0.599 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CNC(=O)c2ccc(F)c(F)c2)n[n-]1 ZINC000512645657 484192497 /nfs/dbraw/zinc/19/24/97/484192497.db2.gz KTWJAVRPTIUPRG-UHFFFAOYSA-N -1 0 359.314 -0.145 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CCCS(=O)(=O)N2CCCC2)n[n-]1 ZINC000512651231 484192346 /nfs/dbraw/zinc/19/23/46/484192346.db2.gz QUQBJYGDBAXLGL-UHFFFAOYSA-N -1 0 365.437 -0.648 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)n[n-]1 ZINC000512665130 484191765 /nfs/dbraw/zinc/19/17/65/484191765.db2.gz JJYJTZRQKWHRAM-RXMQYKEDSA-N -1 0 355.298 -0.443 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)n[n-]1 ZINC000512665137 484191519 /nfs/dbraw/zinc/19/15/19/484191519.db2.gz JJYJTZRQKWHRAM-YFKPBYRVSA-N -1 0 355.298 -0.443 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCC(=O)NC3CC3)cc2)[n-]1 ZINC000512685357 484191654 /nfs/dbraw/zinc/19/16/54/484191654.db2.gz OXECPFFQZNEEEH-UHFFFAOYSA-N -1 0 372.381 -0.111 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCC(=O)N(C)C)cc2)[n-]1 ZINC000512686371 484192546 /nfs/dbraw/zinc/19/25/46/484192546.db2.gz XZTBZCJAPZEKFF-UHFFFAOYSA-N -1 0 360.370 -0.301 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCCNC(C)=O)cc2)[n-]1 ZINC000512903114 484199612 /nfs/dbraw/zinc/19/96/12/484199612.db2.gz VVXKNRWZMQWUBT-UHFFFAOYSA-N -1 0 360.370 -0.253 20 0 FBADRM CNC(=O)CCCN(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000513082854 484201282 /nfs/dbraw/zinc/20/12/82/484201282.db2.gz ZARGTEMGNYYOAS-UHFFFAOYSA-N -1 0 355.376 -0.417 20 0 FBADRM CN(C)S(=O)(=O)NCCNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000513100168 484202233 /nfs/dbraw/zinc/20/22/33/484202233.db2.gz HOBRLFSUJPCCAT-UHFFFAOYSA-N -1 0 371.394 -0.157 20 0 FBADRM Cn1nnc2c1nccc2C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000513300570 484207565 /nfs/dbraw/zinc/20/75/65/484207565.db2.gz KVGILWXJMJRCJB-UHFFFAOYSA-N -1 0 354.377 -0.161 20 0 FBADRM COC(=O)[C@]1([N-]S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CCOC1 ZINC000513364080 484208460 /nfs/dbraw/zinc/20/84/60/484208460.db2.gz MGTCMHHOAYEQHD-HNNXBMFYSA-N -1 0 360.432 -0.361 20 0 FBADRM COC(=O)[C@@]1([N-]S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CCOC1 ZINC000513364081 484209234 /nfs/dbraw/zinc/20/92/34/484209234.db2.gz MGTCMHHOAYEQHD-OAHLLOKOSA-N -1 0 360.432 -0.361 20 0 FBADRM COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000513533101 484215128 /nfs/dbraw/zinc/21/51/28/484215128.db2.gz HWDNYNWXEFMTJS-UHFFFAOYSA-N -1 0 355.257 -0.170 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)c1 ZINC000513785171 484218816 /nfs/dbraw/zinc/21/88/16/484218816.db2.gz HIAXRYYIMXAXSO-UHFFFAOYSA-N -1 0 357.348 -0.453 20 0 FBADRM CCc1c(C(=O)NC(C)(C)c2nnn[n-]2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000514005080 484226003 /nfs/dbraw/zinc/22/60/03/484226003.db2.gz AQTCWMRPHBNNEG-UHFFFAOYSA-N -1 0 372.389 -0.627 20 0 FBADRM CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)N1C(=O)c1cnc([O-])n(C)c1=O ZINC000514040123 484228520 /nfs/dbraw/zinc/22/85/20/484228520.db2.gz UPBRCSWEVVJISR-GHMZBOCLSA-N -1 0 367.358 -0.415 20 0 FBADRM Cc1cc(=NC(=O)c2cn(C)c(=O)[nH]c2=O)nc2nc(C(F)(F)F)[n-]n21 ZINC000514431765 483440890 /nfs/dbraw/zinc/44/08/90/483440890.db2.gz REZRURCDRZVLDQ-UHFFFAOYSA-N -1 0 369.263 -0.075 20 0 FBADRM COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000514588028 484528886 /nfs/dbraw/zinc/52/88/86/484528886.db2.gz SNXJNXIBNKVNER-GFCCVEGCSA-N -1 0 373.383 -0.115 20 0 FBADRM COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000514588029 484528658 /nfs/dbraw/zinc/52/86/58/484528658.db2.gz SNXJNXIBNKVNER-LBPRGKRZSA-N -1 0 373.383 -0.115 20 0 FBADRM CCCS(=O)(=O)NCc1ccc(S(=O)(=O)NCC(=O)[O-])cc1 ZINC000514597914 484528797 /nfs/dbraw/zinc/52/87/97/484528797.db2.gz CPJJSYOIRUTMPQ-UHFFFAOYSA-N -1 0 350.418 -0.121 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000514602766 484530058 /nfs/dbraw/zinc/53/00/58/484530058.db2.gz JGDBGKAPOYRMAS-UHFFFAOYSA-N -1 0 357.388 -0.233 20 0 FBADRM CCN1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1=O ZINC000514667619 484492127 /nfs/dbraw/zinc/49/21/27/484492127.db2.gz CALYJSXXIFVLQZ-YVEFUNNKSA-N -1 0 351.403 -0.220 20 0 FBADRM CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000514670057 484493680 /nfs/dbraw/zinc/49/36/80/484493680.db2.gz LIVLXTYQAWFFQR-MRVPVSSYSA-N -1 0 352.390 -0.462 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000514670058 484492603 /nfs/dbraw/zinc/49/26/03/484492603.db2.gz LIVLXTYQAWFFQR-QMMMGPOBSA-N -1 0 352.390 -0.462 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]c1ccc2c(c1)N(S(N)(=O)=O)CC2 ZINC000514676698 484541489 /nfs/dbraw/zinc/54/14/89/484541489.db2.gz ZWDVGLUNFOFZLI-UHFFFAOYSA-N -1 0 373.416 -0.068 20 0 FBADRM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ncn(CC(=O)OC)n2)c1 ZINC000514699160 484786145 /nfs/dbraw/zinc/78/61/45/484786145.db2.gz OOKQNTQQCCUBFZ-UHFFFAOYSA-N -1 0 368.371 -0.033 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@@H](CC2CC2)C(=O)[O-])CC1 ZINC000514734069 485279034 /nfs/dbraw/zinc/27/90/34/485279034.db2.gz YXWRKESHTBLGDG-LBPRGKRZSA-N -1 0 368.477 -0.169 20 0 FBADRM CC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1)C(=O)[O-] ZINC000514789785 485279880 /nfs/dbraw/zinc/27/98/80/485279880.db2.gz GHXSNDPZGGGBSE-SECBINFHSA-N -1 0 361.351 -0.348 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000514790063 485280086 /nfs/dbraw/zinc/28/00/86/485280086.db2.gz IXEXUBLPVNRMGP-BXKDBHETSA-N -1 0 369.399 -0.472 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000514790064 485279736 /nfs/dbraw/zinc/27/97/36/485279736.db2.gz IXEXUBLPVNRMGP-CABZTGNLSA-N -1 0 369.399 -0.472 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000514790065 485280109 /nfs/dbraw/zinc/28/01/09/485280109.db2.gz IXEXUBLPVNRMGP-JOYOIKCWSA-N -1 0 369.399 -0.472 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000514790066 485279674 /nfs/dbraw/zinc/27/96/74/485279674.db2.gz IXEXUBLPVNRMGP-SKDRFNHKSA-N -1 0 369.399 -0.472 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2cccnc2C(=O)[O-])C1 ZINC000514790236 485280929 /nfs/dbraw/zinc/28/09/29/485280929.db2.gz ZSEQLGNGRKJOPD-SECBINFHSA-N -1 0 363.417 -0.518 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2cccnc2C(=O)[O-])C1 ZINC000514790237 485281259 /nfs/dbraw/zinc/28/12/59/485281259.db2.gz ZSEQLGNGRKJOPD-VIFPVBQESA-N -1 0 363.417 -0.518 20 0 FBADRM O=S(=O)([N-]c1cn[nH]c1)c1cccc(S(=O)(=O)N2CC(CO)C2)c1 ZINC000514798381 485280716 /nfs/dbraw/zinc/28/07/16/485280716.db2.gz JEFRVHKKRRVYLA-UHFFFAOYSA-N -1 0 372.428 -0.177 20 0 FBADRM CC1(O)CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]c2c[nH]cn2)C1 ZINC000514798996 485188759 /nfs/dbraw/zinc/18/87/59/485188759.db2.gz QBAMEIDJJXKZLF-UHFFFAOYSA-N -1 0 372.428 -0.034 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)c2cccc(S(=O)(=O)N3CCOC3)c2)n1 ZINC000514799045 485280796 /nfs/dbraw/zinc/28/07/96/485280796.db2.gz RUOVZTYBAZBPEC-UHFFFAOYSA-N -1 0 373.416 -0.406 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NCC(=O)NCC(=O)OC ZINC000514830378 485281255 /nfs/dbraw/zinc/28/12/55/485281255.db2.gz CDMYQLSCFHJTLM-UHFFFAOYSA-N -1 0 357.388 -0.533 20 0 FBADRM CO[C@H](C)c1nc(=NC(=O)NCCNS(=O)(=O)NC(C)C)s[n-]1 ZINC000514852858 485282746 /nfs/dbraw/zinc/28/27/46/485282746.db2.gz XAFLDWYPFINYBK-MRVPVSSYSA-N -1 0 366.469 -0.379 20 0 FBADRM CO[C@@H](C)c1nc(=NC(=O)NCCNS(=O)(=O)NC(C)C)s[n-]1 ZINC000514852859 485282631 /nfs/dbraw/zinc/28/26/31/485282631.db2.gz XAFLDWYPFINYBK-QMMMGPOBSA-N -1 0 366.469 -0.379 20 0 FBADRM Cc1nsc(N2CCCN(C(=O)C(=O)NCCCC(=O)[O-])CC2)n1 ZINC000514861867 485282330 /nfs/dbraw/zinc/28/23/30/485282330.db2.gz VFPKHWFTANDHBU-UHFFFAOYSA-N -1 0 355.420 -0.134 20 0 FBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000514934712 485285367 /nfs/dbraw/zinc/28/53/67/485285367.db2.gz QORGIUGBYONOAC-JTQLQIEISA-N -1 0 363.413 -0.046 20 0 FBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000514934713 485285384 /nfs/dbraw/zinc/28/53/84/485285384.db2.gz QORGIUGBYONOAC-SNVBAGLBSA-N -1 0 363.413 -0.046 20 0 FBADRM CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)NCCCC(=O)[O-] ZINC000514940436 485286099 /nfs/dbraw/zinc/28/60/99/485286099.db2.gz URTVVHNGMZDTFF-UHFFFAOYSA-N -1 0 350.375 -0.820 20 0 FBADRM Cc1cccc(N2CCN(C(=O)CN3CCN(C(=O)C(=O)[O-])CC3)CC2)c1 ZINC000514941961 485284294 /nfs/dbraw/zinc/28/42/94/485284294.db2.gz MRYFXGRGFMLRCG-UHFFFAOYSA-N -1 0 374.441 -0.128 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CCc1cccs1 ZINC000514942010 485284643 /nfs/dbraw/zinc/28/46/43/485284643.db2.gz OLTGGJYKSMZJSA-JTQLQIEISA-N -1 0 353.443 -0.196 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CCc1cccs1 ZINC000514942011 485284245 /nfs/dbraw/zinc/28/42/45/485284245.db2.gz OLTGGJYKSMZJSA-SNVBAGLBSA-N -1 0 353.443 -0.196 20 0 FBADRM NC(=O)[C@]1(NS(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)CCOC1 ZINC000514946651 485285098 /nfs/dbraw/zinc/28/50/98/485285098.db2.gz ISJYUNXMRMPARU-AWEZNQCLSA-N -1 0 372.355 -0.921 20 0 FBADRM NC(=O)[C@@]1(NS(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)CCOC1 ZINC000514946661 485284667 /nfs/dbraw/zinc/28/46/67/485284667.db2.gz ISJYUNXMRMPARU-CQSZACIVSA-N -1 0 372.355 -0.921 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@H]([C@@H]2CCCO2)[C@H]1C(=O)[O-] ZINC000514998042 485285923 /nfs/dbraw/zinc/28/59/23/485285923.db2.gz METOENLNPJJGSZ-MDZLAQPJSA-N -1 0 364.420 -0.320 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@H]([C@H]2CCCO2)[C@@H]1C(=O)[O-] ZINC000514998043 485285522 /nfs/dbraw/zinc/28/55/22/485285522.db2.gz METOENLNPJJGSZ-NQBHXWOUSA-N -1 0 364.420 -0.320 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@H]([C@@H]2CCCO2)[C@@H]1C(=O)[O-] ZINC000514998045 485285775 /nfs/dbraw/zinc/28/57/75/485285775.db2.gz METOENLNPJJGSZ-NTZNESFSSA-N -1 0 364.420 -0.320 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N1CC[C@H]([C@H]2CCCO2)[C@H]1C(=O)[O-] ZINC000514998047 485285366 /nfs/dbraw/zinc/28/53/66/485285366.db2.gz METOENLNPJJGSZ-WZRBSPASSA-N -1 0 364.420 -0.320 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000515059565 485287508 /nfs/dbraw/zinc/28/75/08/485287508.db2.gz BCIRZAXQHYVJCP-SSDOTTSWSA-N -1 0 371.462 -0.239 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000515059566 485287758 /nfs/dbraw/zinc/28/77/58/485287758.db2.gz BCIRZAXQHYVJCP-ZETCQYMHSA-N -1 0 371.462 -0.239 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)C[C@H]1C(=O)[O-] ZINC000515059955 483777536 /nfs/dbraw/zinc/77/75/36/483777536.db2.gz IEXYSCPGQKOJHP-GHMZBOCLSA-N -1 0 365.390 -0.521 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)C[C@@H]1C(=O)[O-] ZINC000515059956 483777484 /nfs/dbraw/zinc/77/74/84/483777484.db2.gz IEXYSCPGQKOJHP-MNOVXSKESA-N -1 0 365.390 -0.521 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)C[C@@H]1C(=O)[O-] ZINC000515059957 483760280 /nfs/dbraw/zinc/76/02/80/483760280.db2.gz IEXYSCPGQKOJHP-QWRGUYRKSA-N -1 0 365.390 -0.521 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)C[C@H]1C(=O)[O-] ZINC000515059958 483760241 /nfs/dbraw/zinc/76/02/41/483760241.db2.gz IEXYSCPGQKOJHP-WDEREUQCSA-N -1 0 365.390 -0.521 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N(C)CC(=O)[O-])cc1 ZINC000515061757 485288380 /nfs/dbraw/zinc/28/83/80/485288380.db2.gz YLTINDXWNUBQMX-UHFFFAOYSA-N -1 0 357.388 -0.144 20 0 FBADRM Cc1cc(S(=O)(=O)NCCNS(C)(=O)=O)ccc1OCC(=O)[O-] ZINC000515064557 485287769 /nfs/dbraw/zinc/28/77/69/485287769.db2.gz TVJGKZBUBLLVOJ-UHFFFAOYSA-N -1 0 366.417 -0.714 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCn3nncc3C2)cc2c1OCCO2 ZINC000515069078 485288253 /nfs/dbraw/zinc/28/82/53/485288253.db2.gz SERDSMGRGAQYJF-UHFFFAOYSA-N -1 0 366.355 -0.048 20 0 FBADRM C[C@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccn(C)n2)cc1 ZINC000515074693 485288228 /nfs/dbraw/zinc/28/82/28/485288228.db2.gz XPGLYYPBNJMWFQ-JTQLQIEISA-N -1 0 374.444 -0.120 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1F)C(=O)[O-] ZINC000515089387 485289277 /nfs/dbraw/zinc/28/92/77/485289277.db2.gz FXXXGWOBKCKVAV-VIFPVBQESA-N -1 0 363.319 -0.093 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)NCCOCC(=O)[O-])OCC(=O)N2 ZINC000515114788 485289121 /nfs/dbraw/zinc/28/91/21/485289121.db2.gz BRUOIJIFWVTQES-UHFFFAOYSA-N -1 0 360.344 -0.594 20 0 FBADRM CC1(C)CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)[C@@H](C(=O)[O-])CO1 ZINC000515132867 485289180 /nfs/dbraw/zinc/28/91/80/485289180.db2.gz ITLCYECTEZHPBW-GFCCVEGCSA-N -1 0 367.387 -0.085 20 0 FBADRM CC1(C)CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)[C@H](C(=O)[O-])CO1 ZINC000515132868 485289458 /nfs/dbraw/zinc/28/94/58/485289458.db2.gz ITLCYECTEZHPBW-LBPRGKRZSA-N -1 0 367.387 -0.085 20 0 FBADRM COCCN1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CC1=O ZINC000515164773 485290471 /nfs/dbraw/zinc/29/04/71/485290471.db2.gz BRZNPNKEMOJPSR-UHFFFAOYSA-N -1 0 363.370 -0.051 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000515176299 485291582 /nfs/dbraw/zinc/29/15/82/485291582.db2.gz HPETYZKCQVJHAA-LLVKDONJSA-N -1 0 355.372 -0.527 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000515176300 485291215 /nfs/dbraw/zinc/29/12/15/485291215.db2.gz HPETYZKCQVJHAA-NSHDSACASA-N -1 0 355.372 -0.527 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCCC(=O)[O-])ccc1F ZINC000515176396 485291382 /nfs/dbraw/zinc/29/13/82/485291382.db2.gz MHHJSLOAGIIYDO-UHFFFAOYSA-N -1 0 361.351 -0.347 20 0 FBADRM CCN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)[C@H](C)C1=O ZINC000515232791 485292279 /nfs/dbraw/zinc/29/22/79/485292279.db2.gz UROZHOBUKXBKNU-BWACUDIHSA-N -1 0 351.403 -0.221 20 0 FBADRM CCN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)[C@@H](C)C1=O ZINC000515232792 485292365 /nfs/dbraw/zinc/29/23/65/485292365.db2.gz UROZHOBUKXBKNU-NVGCLXPQSA-N -1 0 351.403 -0.221 20 0 FBADRM Cc1oc(S(=O)(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000515303343 485294854 /nfs/dbraw/zinc/29/48/54/485294854.db2.gz APJVWLOWAPXXKY-MRVPVSSYSA-N -1 0 352.390 -0.402 20 0 FBADRM Cc1oc(S(=O)(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000515303344 485294345 /nfs/dbraw/zinc/29/43/45/485294345.db2.gz APJVWLOWAPXXKY-QMMMGPOBSA-N -1 0 352.390 -0.402 20 0 FBADRM NC(=O)C[C@@H](NS(=O)(=O)c1cnc2onc(C3CC3)c2c1)C(=O)[O-] ZINC000515303718 485294995 /nfs/dbraw/zinc/29/49/95/485294995.db2.gz JSXMMBLOOSMHTQ-SECBINFHSA-N -1 0 354.344 -0.293 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)CCS1(=O)=O ZINC000515346465 484723610 /nfs/dbraw/zinc/72/36/10/484723610.db2.gz BONILFFIPOLNRK-AAEUAGOBSA-N -1 0 372.443 -0.122 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)CCS1(=O)=O ZINC000515346466 484723164 /nfs/dbraw/zinc/72/31/64/484723164.db2.gz BONILFFIPOLNRK-DGCLKSJQSA-N -1 0 372.443 -0.122 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)CCS1(=O)=O ZINC000515346467 484722941 /nfs/dbraw/zinc/72/29/41/484722941.db2.gz BONILFFIPOLNRK-WCQYABFASA-N -1 0 372.443 -0.122 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)CCS1(=O)=O ZINC000515346468 484723732 /nfs/dbraw/zinc/72/37/32/484723732.db2.gz BONILFFIPOLNRK-YPMHNXCESA-N -1 0 372.443 -0.122 20 0 FBADRM CCN(CCCNS(=O)(=O)c1cccnc1C(=O)[O-])S(C)(=O)=O ZINC000515349698 485295699 /nfs/dbraw/zinc/29/56/99/485295699.db2.gz DONFTUPGZKMIEK-UHFFFAOYSA-N -1 0 365.433 -0.270 20 0 FBADRM CCN(CCCNC(=O)N[C@@H](C(=O)[O-])C1CCOCC1)S(C)(=O)=O ZINC000515362153 485295969 /nfs/dbraw/zinc/29/59/69/485295969.db2.gz MJVCBCZYBKWHGX-GFCCVEGCSA-N -1 0 365.452 -0.163 20 0 FBADRM CCN(CCCNC(=O)N[C@H](C(=O)[O-])C1CCOCC1)S(C)(=O)=O ZINC000515362158 485295563 /nfs/dbraw/zinc/29/55/63/485295563.db2.gz MJVCBCZYBKWHGX-LBPRGKRZSA-N -1 0 365.452 -0.163 20 0 FBADRM COC(=O)c1cc(F)cc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c1 ZINC000515364869 485295790 /nfs/dbraw/zinc/29/57/90/485295790.db2.gz NLCZBLPMHWUSEQ-UHFFFAOYSA-N -1 0 362.335 -0.519 20 0 FBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CCOCC1CC1 ZINC000515414328 485298305 /nfs/dbraw/zinc/29/83/05/485298305.db2.gz HFCFERUDHRRDIB-LLVKDONJSA-N -1 0 355.434 -0.684 20 0 FBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CCOCC1CC1 ZINC000515414329 485298396 /nfs/dbraw/zinc/29/83/96/485298396.db2.gz HFCFERUDHRRDIB-NSHDSACASA-N -1 0 355.434 -0.684 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000515498121 485300668 /nfs/dbraw/zinc/30/06/68/485300668.db2.gz DXQZRMXFZOMHSK-GHMZBOCLSA-N -1 0 366.392 -0.915 20 0 FBADRM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cc1 ZINC000515628438 485303891 /nfs/dbraw/zinc/30/38/91/485303891.db2.gz ALLAAAWOGWFMBH-UHFFFAOYSA-N -1 0 368.371 -0.279 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)cc2)cc1C(N)=O ZINC000515629570 485303529 /nfs/dbraw/zinc/30/35/29/485303529.db2.gz DTUKHWYGQPCKOK-UHFFFAOYSA-N -1 0 366.399 -0.353 20 0 FBADRM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cc1 ZINC000515632510 485303256 /nfs/dbraw/zinc/30/32/56/485303256.db2.gz ZVUJIRJOEBFGKC-UHFFFAOYSA-N -1 0 372.428 -0.037 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cn1 ZINC000515633397 485303384 /nfs/dbraw/zinc/30/33/84/485303384.db2.gz KEJXGJNTWWEEQK-UHFFFAOYSA-N -1 0 372.428 -0.167 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)NC3CC3)c2)cc1C(N)=O ZINC000515634454 485303709 /nfs/dbraw/zinc/30/37/09/485303709.db2.gz HZYHBHJKOFDCTQ-UHFFFAOYSA-N -1 0 366.403 -0.600 20 0 FBADRM COCc1ccc(OC)c(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000515643707 485304016 /nfs/dbraw/zinc/30/40/16/485304016.db2.gz WLAORYULPUDPGW-UHFFFAOYSA-N -1 0 370.387 -0.004 20 0 FBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000515650061 485304842 /nfs/dbraw/zinc/30/48/42/485304842.db2.gz HYEWTWXVDLZFMY-LLVKDONJSA-N -1 0 355.372 -0.397 20 0 FBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000515650062 485304757 /nfs/dbraw/zinc/30/47/57/485304757.db2.gz HYEWTWXVDLZFMY-NSHDSACASA-N -1 0 355.372 -0.397 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)C[C@H]1C(=O)[O-] ZINC000515650303 485305227 /nfs/dbraw/zinc/30/52/27/485305227.db2.gz RBFABVCJPIPEML-CMPLNLGQSA-N -1 0 365.390 -0.521 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)C[C@@H]1C(=O)[O-] ZINC000515650304 485305052 /nfs/dbraw/zinc/30/50/52/485305052.db2.gz RBFABVCJPIPEML-JQWIXIFHSA-N -1 0 365.390 -0.521 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)C[C@@H]1C(=O)[O-] ZINC000515650305 485305247 /nfs/dbraw/zinc/30/52/47/485305247.db2.gz RBFABVCJPIPEML-PWSUYJOCSA-N -1 0 365.390 -0.521 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)C[C@H]1C(=O)[O-] ZINC000515650306 485305139 /nfs/dbraw/zinc/30/51/39/485305139.db2.gz RBFABVCJPIPEML-ZYHUDNBSSA-N -1 0 365.390 -0.521 20 0 FBADRM C[C@@H]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1C(=O)[O-] ZINC000515650445 485304587 /nfs/dbraw/zinc/30/45/87/485304587.db2.gz WBRQSIXPRKIASF-NXEZZACHSA-N -1 0 363.374 -0.997 20 0 FBADRM C[C@H]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1C(=O)[O-] ZINC000515650446 485304624 /nfs/dbraw/zinc/30/46/24/485304624.db2.gz WBRQSIXPRKIASF-UWVGGRQHSA-N -1 0 363.374 -0.997 20 0 FBADRM C[C@H]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1C(=O)[O-] ZINC000515650447 485305015 /nfs/dbraw/zinc/30/50/15/485305015.db2.gz WBRQSIXPRKIASF-VHSXEESVSA-N -1 0 363.374 -0.997 20 0 FBADRM C[C@@H]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1C(=O)[O-] ZINC000515650448 485304864 /nfs/dbraw/zinc/30/48/64/485304864.db2.gz WBRQSIXPRKIASF-ZJUUUORDSA-N -1 0 363.374 -0.997 20 0 FBADRM CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000515654822 485304967 /nfs/dbraw/zinc/30/49/67/485304967.db2.gz ASEHWPWFAKOCTQ-GFCCVEGCSA-N -1 0 355.391 -0.841 20 0 FBADRM CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000515654824 485305146 /nfs/dbraw/zinc/30/51/46/485305146.db2.gz ASEHWPWFAKOCTQ-LBPRGKRZSA-N -1 0 355.391 -0.841 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1cnc2onc(C3CC3)c2c1 ZINC000515657558 485304721 /nfs/dbraw/zinc/30/47/21/485304721.db2.gz YQKSJTCAAUIGHO-UHFFFAOYSA-N -1 0 368.371 -0.031 20 0 FBADRM Cc1c([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cccc1S(N)(=O)=O ZINC000515699003 485305987 /nfs/dbraw/zinc/30/59/87/485305987.db2.gz KEGYTEKWHHTXJO-UHFFFAOYSA-N -1 0 372.428 -0.119 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000515720284 485305848 /nfs/dbraw/zinc/30/58/48/485305848.db2.gz GEJMMHJVXXXOBH-LURJTMIESA-N -1 0 356.344 -0.749 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC000515720287 485305817 /nfs/dbraw/zinc/30/58/17/485305817.db2.gz GEJMMHJVXXXOBH-ZCFIWIBFSA-N -1 0 356.344 -0.749 20 0 FBADRM COC(=O)c1cncc(S(=O)(=O)[N-]c2ccn(CC(=O)N(C)C)n2)c1 ZINC000515824668 485307492 /nfs/dbraw/zinc/30/74/92/485307492.db2.gz MDNWOTAXYIHUBY-UHFFFAOYSA-N -1 0 367.387 -0.046 20 0 FBADRM O=C([O-])C(=O)N1CCN(CC(=O)NC(=O)NCc2cccs2)CC1 ZINC000515852151 485306872 /nfs/dbraw/zinc/30/68/72/485306872.db2.gz PFARULKFJQZFIR-UHFFFAOYSA-N -1 0 354.388 -0.697 20 0 FBADRM Cc1cc(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1C(=O)[O-] ZINC000516001749 485310451 /nfs/dbraw/zinc/31/04/51/485310451.db2.gz NVJVPLATHMEEBH-UHFFFAOYSA-N -1 0 367.383 -0.431 20 0 FBADRM Cc1c(Cl)cc(S(=O)(=O)N(CC(N)=O)CC(N)=O)cc1C(=O)[O-] ZINC000516073001 485310849 /nfs/dbraw/zinc/31/08/49/485310849.db2.gz JHUAVPVSHIKMQJ-UHFFFAOYSA-N -1 0 363.779 -0.692 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)CCCN2C(=O)CCC2=O)s1 ZINC000516138449 485312238 /nfs/dbraw/zinc/31/22/38/485312238.db2.gz PZVMEJVWXNHQKX-UHFFFAOYSA-N -1 0 361.405 -0.223 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)CCN2CCCS2(=O)=O)s1 ZINC000516144559 485311878 /nfs/dbraw/zinc/31/18/78/485311878.db2.gz BDSSUEIYQVBDQB-UHFFFAOYSA-N -1 0 369.450 -0.726 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCn3cccc3[C@@H]2C(=O)[O-])cc1C(N)=O ZINC000516175253 485313911 /nfs/dbraw/zinc/31/39/11/485313911.db2.gz HZAFGYSGTHLJIM-GFCCVEGCSA-N -1 0 352.372 -0.244 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCn3cccc3[C@H]2C(=O)[O-])cc1C(N)=O ZINC000516175254 485311905 /nfs/dbraw/zinc/31/19/05/485311905.db2.gz HZAFGYSGTHLJIM-LBPRGKRZSA-N -1 0 352.372 -0.244 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000516178988 485312253 /nfs/dbraw/zinc/31/22/53/485312253.db2.gz ROBACFRXKGMFHW-CYBMUJFWSA-N -1 0 368.477 -0.216 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000516178989 485312386 /nfs/dbraw/zinc/31/23/86/485312386.db2.gz ROBACFRXKGMFHW-ZDUSSCGKSA-N -1 0 368.477 -0.216 20 0 FBADRM CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000516179555 485311871 /nfs/dbraw/zinc/31/18/71/485311871.db2.gz YMZAJUDQPRJKMK-JTQLQIEISA-N -1 0 365.433 -0.445 20 0 FBADRM CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000516179556 485312140 /nfs/dbraw/zinc/31/21/40/485312140.db2.gz YMZAJUDQPRJKMK-SNVBAGLBSA-N -1 0 365.433 -0.445 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000516181672 485313044 /nfs/dbraw/zinc/31/30/44/485313044.db2.gz QGHXPYFODINQII-BBBLOLIVSA-N -1 0 352.391 -0.720 20 0 FBADRM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000516181673 485313056 /nfs/dbraw/zinc/31/30/56/485313056.db2.gz QGHXPYFODINQII-KXUCPTDWSA-N -1 0 352.391 -0.720 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000516181674 485313522 /nfs/dbraw/zinc/31/35/22/485313522.db2.gz QGHXPYFODINQII-OPRDCNLKSA-N -1 0 352.391 -0.720 20 0 FBADRM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000516181675 485312832 /nfs/dbraw/zinc/31/28/32/485312832.db2.gz QGHXPYFODINQII-UTLUCORTSA-N -1 0 352.391 -0.720 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCc2cnc(N(C)C)n2C)C[C@H]1C(=O)[O-] ZINC000516182100 485313214 /nfs/dbraw/zinc/31/32/14/485313214.db2.gz IYORQZJETCATJI-CMPLNLGQSA-N -1 0 351.407 -0.329 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCc2cnc(N(C)C)n2C)C[C@@H]1C(=O)[O-] ZINC000516182101 485313252 /nfs/dbraw/zinc/31/32/52/485313252.db2.gz IYORQZJETCATJI-JQWIXIFHSA-N -1 0 351.407 -0.329 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2cnc(N(C)C)n2C)C[C@@H]1C(=O)[O-] ZINC000516182102 485312857 /nfs/dbraw/zinc/31/28/57/485312857.db2.gz IYORQZJETCATJI-PWSUYJOCSA-N -1 0 351.407 -0.329 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2cnc(N(C)C)n2C)C[C@H]1C(=O)[O-] ZINC000516182103 485312911 /nfs/dbraw/zinc/31/29/11/485312911.db2.gz IYORQZJETCATJI-ZYHUDNBSSA-N -1 0 351.407 -0.329 20 0 FBADRM CCN(C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)[C@H](C)CS(C)(=O)=O ZINC000516182472 485313053 /nfs/dbraw/zinc/31/30/53/485313053.db2.gz YZLVPVNJTYVRLD-QJPTWQEYSA-N -1 0 362.448 -0.163 20 0 FBADRM CCN(C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)[C@@H](C)CS(C)(=O)=O ZINC000516182473 485312876 /nfs/dbraw/zinc/31/28/76/485312876.db2.gz YZLVPVNJTYVRLD-SDDRHHMPSA-N -1 0 362.448 -0.163 20 0 FBADRM CCN(C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)[C@@H](C)CS(C)(=O)=O ZINC000516182474 485313132 /nfs/dbraw/zinc/31/31/32/485313132.db2.gz YZLVPVNJTYVRLD-SRVKXCTJSA-N -1 0 362.448 -0.163 20 0 FBADRM CCN(C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)[C@H](C)CS(C)(=O)=O ZINC000516182475 485312930 /nfs/dbraw/zinc/31/29/30/485312930.db2.gz YZLVPVNJTYVRLD-TUAOUCFPSA-N -1 0 362.448 -0.163 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C2(C(=O)[O-])CC2)c1 ZINC000516186196 485313337 /nfs/dbraw/zinc/31/33/37/485313337.db2.gz YFLFHIKFTVDMJH-SECBINFHSA-N -1 0 369.399 -0.097 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C2(C(=O)[O-])CC2)c1 ZINC000516186197 485312870 /nfs/dbraw/zinc/31/28/70/485312870.db2.gz YFLFHIKFTVDMJH-VIFPVBQESA-N -1 0 369.399 -0.097 20 0 FBADRM COCCNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000516199329 485313994 /nfs/dbraw/zinc/31/39/94/485313994.db2.gz ZFSFPXLCGYSNLV-UHFFFAOYSA-N -1 0 356.400 -0.086 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cn1 ZINC000516220919 485314135 /nfs/dbraw/zinc/31/41/35/485314135.db2.gz GQAWVYRGCQDGCH-SSDOTTSWSA-N -1 0 359.282 -0.260 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cn1 ZINC000516220920 485314548 /nfs/dbraw/zinc/31/45/48/485314548.db2.gz GQAWVYRGCQDGCH-ZETCQYMHSA-N -1 0 359.282 -0.260 20 0 FBADRM CCOC[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000516221468 485314032 /nfs/dbraw/zinc/31/40/32/485314032.db2.gz YTIBQLLFPLMFTA-JTQLQIEISA-N -1 0 352.390 -0.898 20 0 FBADRM O=C([O-])C1(O)CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000516276871 485315198 /nfs/dbraw/zinc/31/51/98/485315198.db2.gz OOTNVJCBWZEZON-UHFFFAOYSA-N -1 0 353.360 -0.738 20 0 FBADRM COCc1cc(C(=O)[O-])cc(S(=O)(=O)NCCNS(C)(=O)=O)c1 ZINC000516283747 485315398 /nfs/dbraw/zinc/31/53/98/485315398.db2.gz HJUVMSFEPQBPHX-UHFFFAOYSA-N -1 0 366.417 -0.641 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000516291018 485315834 /nfs/dbraw/zinc/31/58/34/485315834.db2.gz FSIGDFWKRVNENZ-JBLDHEPKSA-N -1 0 358.420 -0.344 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000516291019 485315936 /nfs/dbraw/zinc/31/59/36/485315936.db2.gz FSIGDFWKRVNENZ-JFGNBEQYSA-N -1 0 358.420 -0.344 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000516291020 485316144 /nfs/dbraw/zinc/31/61/44/485316144.db2.gz FSIGDFWKRVNENZ-NHCYSSNCSA-N -1 0 358.420 -0.344 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000516291021 485316491 /nfs/dbraw/zinc/31/64/91/485316491.db2.gz FSIGDFWKRVNENZ-SCVCMEIPSA-N -1 0 358.420 -0.344 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC000516306869 485316358 /nfs/dbraw/zinc/31/63/58/485316358.db2.gz AROIXRHIXMSYAX-UHFFFAOYSA-N -1 0 366.403 -0.697 20 0 FBADRM NC(=O)N1CC[C@@H](NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000516319511 485315121 /nfs/dbraw/zinc/31/51/21/485315121.db2.gz ABGPCDJIKZZKBF-MRVPVSSYSA-N -1 0 362.358 -0.488 20 0 FBADRM NC(=O)N1CC[C@H](NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000516319512 485315180 /nfs/dbraw/zinc/31/51/80/485315180.db2.gz ABGPCDJIKZZKBF-QMMMGPOBSA-N -1 0 362.358 -0.488 20 0 FBADRM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cc1 ZINC000516415417 485317998 /nfs/dbraw/zinc/31/79/98/485317998.db2.gz VMNNSWHLILSHAZ-UHFFFAOYSA-N -1 0 372.428 -0.037 20 0 FBADRM CC1(C)CN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)CCS1(=O)=O ZINC000516450466 485319212 /nfs/dbraw/zinc/31/92/12/485319212.db2.gz UCBXEDZWKIKJRC-LLVKDONJSA-N -1 0 360.432 -0.265 20 0 FBADRM CC1(C)CN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CCS1(=O)=O ZINC000516450467 485318895 /nfs/dbraw/zinc/31/88/95/485318895.db2.gz UCBXEDZWKIKJRC-NSHDSACASA-N -1 0 360.432 -0.265 20 0 FBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000516467316 485319160 /nfs/dbraw/zinc/31/91/60/485319160.db2.gz KHRNSZHPVLSNFH-BNOWGMLFSA-N -1 0 353.419 -0.608 20 0 FBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000516467317 485319053 /nfs/dbraw/zinc/31/90/53/485319053.db2.gz KHRNSZHPVLSNFH-YUTCNCBUSA-N -1 0 353.419 -0.608 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCc2nnnn2CC2CC2)C[C@H]1C(=O)[O-] ZINC000516467595 485319008 /nfs/dbraw/zinc/31/90/08/485319008.db2.gz GFFKFSUBXXDRBC-GXSJLCMTSA-N -1 0 350.379 -0.732 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2nnnn2CC2CC2)C[C@@H]1C(=O)[O-] ZINC000516467597 485319239 /nfs/dbraw/zinc/31/92/39/485319239.db2.gz GFFKFSUBXXDRBC-KOLCDFICSA-N -1 0 350.379 -0.732 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2nnnn2CC2CC2)C[C@H]1C(=O)[O-] ZINC000516467598 485319124 /nfs/dbraw/zinc/31/91/24/485319124.db2.gz GFFKFSUBXXDRBC-MWLCHTKSSA-N -1 0 350.379 -0.732 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCc2nnnn2CC2CC2)C[C@@H]1C(=O)[O-] ZINC000516467601 485319209 /nfs/dbraw/zinc/31/92/09/485319209.db2.gz GFFKFSUBXXDRBC-ONGXEEELSA-N -1 0 350.379 -0.732 20 0 FBADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000516498641 485319774 /nfs/dbraw/zinc/31/97/74/485319774.db2.gz SGMWGDCHHTYQDH-UHFFFAOYSA-N -1 0 356.342 -0.015 20 0 FBADRM O=C(CNS(=O)(=O)c1ccccc1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000516518314 485319653 /nfs/dbraw/zinc/31/96/53/485319653.db2.gz GZHQWAYHQGKYFL-LLVKDONJSA-N -1 0 350.404 -0.116 20 0 FBADRM O=C(CNS(=O)(=O)c1ccccc1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000516518315 485321059 /nfs/dbraw/zinc/32/10/59/485321059.db2.gz GZHQWAYHQGKYFL-NSHDSACASA-N -1 0 350.404 -0.116 20 0 FBADRM C[C@](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)(C(=O)[O-])C1CC1 ZINC000516567561 485249996 /nfs/dbraw/zinc/24/99/96/485249996.db2.gz MWNGHBJSAQTNMO-CYBMUJFWSA-N -1 0 368.477 -0.169 20 0 FBADRM C[C@@](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)(C(=O)[O-])C1CC1 ZINC000516567562 485249567 /nfs/dbraw/zinc/24/95/67/485249567.db2.gz MWNGHBJSAQTNMO-ZDUSSCGKSA-N -1 0 368.477 -0.169 20 0 FBADRM O=C1CCCN1CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000516575314 485271545 /nfs/dbraw/zinc/27/15/45/485271545.db2.gz LUHAYWMBSYKPOG-UHFFFAOYSA-N -1 0 353.360 -0.663 20 0 FBADRM NC(=O)[C@@]1(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)CCOC1 ZINC000516580472 485296456 /nfs/dbraw/zinc/29/64/56/485296456.db2.gz IJWFSRWZARKAIA-CYBMUJFWSA-N -1 0 362.335 -0.788 20 0 FBADRM NC(=O)[C@]1(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)CCOC1 ZINC000516580473 485295921 /nfs/dbraw/zinc/29/59/21/485295921.db2.gz IJWFSRWZARKAIA-ZDUSSCGKSA-N -1 0 362.335 -0.788 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])CCCCC1 ZINC000516615435 484098916 /nfs/dbraw/zinc/09/89/16/484098916.db2.gz OCICFJMWSDXWKV-SNVBAGLBSA-N -1 0 364.420 -0.252 20 0 FBADRM CCS(=O)(=O)N(C)CCCNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC000516648641 483448311 /nfs/dbraw/zinc/44/83/11/483448311.db2.gz ICCGARCGUDGDQS-UHFFFAOYSA-N -1 0 365.433 -0.270 20 0 FBADRM O=C([O-])CCCNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000516648703 483448576 /nfs/dbraw/zinc/44/85/76/483448576.db2.gz KTIULLOSTBGYQC-UHFFFAOYSA-N -1 0 360.392 -0.304 20 0 FBADRM CC[C@@H](NC(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1)C(=O)[O-] ZINC000516650956 483424752 /nfs/dbraw/zinc/42/47/52/483424752.db2.gz XWOBWEKSAFATGA-LLVKDONJSA-N -1 0 363.326 -0.506 20 0 FBADRM CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])C1=O ZINC000516651038 483425583 /nfs/dbraw/zinc/42/55/83/483425583.db2.gz MWBISTVISAFKEJ-LLVKDONJSA-N -1 0 365.390 -0.504 20 0 FBADRM CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NCCCC(=O)[O-])C1=O ZINC000516651041 483424821 /nfs/dbraw/zinc/42/48/21/483424821.db2.gz MWBISTVISAFKEJ-NSHDSACASA-N -1 0 365.390 -0.504 20 0 FBADRM CCS(=O)(=O)N(C)CCCNS(=O)(=O)c1scnc1C(=O)[O-] ZINC000516766800 483446030 /nfs/dbraw/zinc/44/60/30/483446030.db2.gz YHSMOXWAWKEINF-UHFFFAOYSA-N -1 0 371.462 -0.209 20 0 FBADRM CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000516774369 484241219 /nfs/dbraw/zinc/24/12/19/484241219.db2.gz OPLAQGCXOULEFY-UHFFFAOYSA-N -1 0 374.397 -0.021 20 0 FBADRM CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](OC)C(=O)[O-] ZINC000516830007 484241782 /nfs/dbraw/zinc/24/17/82/484241782.db2.gz PMNJGWDFGKMJAK-SECBINFHSA-N -1 0 366.417 -0.637 20 0 FBADRM CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](OC)C(=O)[O-] ZINC000516830008 484242184 /nfs/dbraw/zinc/24/21/84/484242184.db2.gz PMNJGWDFGKMJAK-VIFPVBQESA-N -1 0 366.417 -0.637 20 0 FBADRM CCNC(=O)CN1CCCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000516841795 484242699 /nfs/dbraw/zinc/24/26/99/484242699.db2.gz JIUDCGPUSYJDNR-UHFFFAOYSA-N -1 0 374.401 -0.280 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CC1 ZINC000516845257 483602577 /nfs/dbraw/zinc/60/25/77/483602577.db2.gz HCBPLJGYGKEILR-UHFFFAOYSA-N -1 0 368.459 -0.048 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)CCCCCC(=O)[O-])C1 ZINC000516864971 483654924 /nfs/dbraw/zinc/65/49/24/483654924.db2.gz KUMQSSHDRDVMKX-LLVKDONJSA-N -1 0 356.466 -0.025 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)CCCCCC(=O)[O-])C1 ZINC000516864972 483655057 /nfs/dbraw/zinc/65/50/57/483655057.db2.gz KUMQSSHDRDVMKX-NSHDSACASA-N -1 0 356.466 -0.025 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000516867014 484244210 /nfs/dbraw/zinc/24/42/10/484244210.db2.gz FBKKVFGXKZSIKM-GRYCIOLGSA-N -1 0 362.448 -0.163 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000516867015 484243484 /nfs/dbraw/zinc/24/34/84/484243484.db2.gz FBKKVFGXKZSIKM-SDDRHHMPSA-N -1 0 362.448 -0.163 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000516867016 484243691 /nfs/dbraw/zinc/24/36/91/484243691.db2.gz FBKKVFGXKZSIKM-SRVKXCTJSA-N -1 0 362.448 -0.163 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000516867017 484243296 /nfs/dbraw/zinc/24/32/96/484243296.db2.gz FBKKVFGXKZSIKM-WOPDTQHZSA-N -1 0 362.448 -0.163 20 0 FBADRM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c1 ZINC000516899466 484245493 /nfs/dbraw/zinc/24/54/93/484245493.db2.gz OTNPQGWWLHTQAT-UHFFFAOYSA-N -1 0 352.372 -0.115 20 0 FBADRM O=C(NC1(c2nnn[n-]2)CC1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000516903637 484246355 /nfs/dbraw/zinc/24/63/55/484246355.db2.gz AHFVZZZTPWMVPO-UHFFFAOYSA-N -1 0 354.330 -0.236 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cnc2onc(C3CC3)c2c1 ZINC000516914266 484246338 /nfs/dbraw/zinc/24/63/38/484246338.db2.gz XMUJTQZRFIZRDE-UHFFFAOYSA-N -1 0 354.344 -0.421 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCC1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000516921906 484246001 /nfs/dbraw/zinc/24/60/01/484246001.db2.gz WAQAWZZYMSFLHU-GFCCVEGCSA-N -1 0 362.448 -0.210 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCC1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000516921907 484245605 /nfs/dbraw/zinc/24/56/05/484245605.db2.gz WAQAWZZYMSFLHU-LBPRGKRZSA-N -1 0 362.448 -0.210 20 0 FBADRM CC1(C(N)=O)CN(C(=O)c2cccc(C(=O)N3CC(C)(C(N)=O)C3)c2[O-])C1 ZINC000516929289 484248182 /nfs/dbraw/zinc/24/81/82/484248182.db2.gz UXOVKNWDMOJGPC-UHFFFAOYSA-N -1 0 374.397 -0.713 20 0 FBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(Cc2nnnn2CCOCC(F)(F)F)C1 ZINC000516932592 484247108 /nfs/dbraw/zinc/24/71/08/484247108.db2.gz VLILYCMAMZAJQE-BDAKNGLRSA-N -1 0 353.301 -0.074 20 0 FBADRM CO[C@H]1C[C@H](C(=O)[O-])N(Cc2nnnn2CCOCC(F)(F)F)C1 ZINC000516932593 484247081 /nfs/dbraw/zinc/24/70/81/484247081.db2.gz VLILYCMAMZAJQE-DTWKUNHWSA-N -1 0 353.301 -0.074 20 0 FBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(Cc2nnnn2CCOCC(F)(F)F)C1 ZINC000516932594 484247097 /nfs/dbraw/zinc/24/70/97/484247097.db2.gz VLILYCMAMZAJQE-IUCAKERBSA-N -1 0 353.301 -0.074 20 0 FBADRM CO[C@@H]1C[C@H](C(=O)[O-])N(Cc2nnnn2CCOCC(F)(F)F)C1 ZINC000516932595 484248481 /nfs/dbraw/zinc/24/84/81/484248481.db2.gz VLILYCMAMZAJQE-RKDXNWHRSA-N -1 0 353.301 -0.074 20 0 FBADRM COCCS(=O)(=O)[N-][C@H](CNS(=O)(=O)CCOC)C(F)(F)F ZINC000516937840 484247617 /nfs/dbraw/zinc/24/76/17/484247617.db2.gz FCDBSVPKTPESGA-MRVPVSSYSA-N -1 0 372.387 -0.951 20 0 FBADRM COCCS(=O)(=O)[N-][C@@H](CNS(=O)(=O)CCOC)C(F)(F)F ZINC000516937841 484247333 /nfs/dbraw/zinc/24/73/33/484247333.db2.gz FCDBSVPKTPESGA-QMMMGPOBSA-N -1 0 372.387 -0.951 20 0 FBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000516940810 484247226 /nfs/dbraw/zinc/24/72/26/484247226.db2.gz NUQPTFVOBZBCNP-SECBINFHSA-N -1 0 374.369 -0.129 20 0 FBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000516940811 484247593 /nfs/dbraw/zinc/24/75/93/484247593.db2.gz NUQPTFVOBZBCNP-VIFPVBQESA-N -1 0 374.369 -0.129 20 0 FBADRM COCCN1CCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1=O ZINC000516964375 484247709 /nfs/dbraw/zinc/24/77/09/484247709.db2.gz GOPFTSIXCIGTMW-GFCCVEGCSA-N -1 0 355.391 -0.983 20 0 FBADRM COCCN1CCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC1=O ZINC000516964376 484248487 /nfs/dbraw/zinc/24/84/87/484248487.db2.gz GOPFTSIXCIGTMW-LBPRGKRZSA-N -1 0 355.391 -0.983 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N1CCn2cccc2[C@@H]1C(=O)[O-] ZINC000516965738 484248809 /nfs/dbraw/zinc/24/88/09/484248809.db2.gz JZOFMHIORRFCTH-LLVKDONJSA-N -1 0 350.418 -0.306 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N1CCn2cccc2[C@H]1C(=O)[O-] ZINC000516965739 484249498 /nfs/dbraw/zinc/24/94/98/484249498.db2.gz JZOFMHIORRFCTH-NSHDSACASA-N -1 0 350.418 -0.306 20 0 FBADRM CN(CCC(=O)[O-])C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C ZINC000516970423 484120969 /nfs/dbraw/zinc/12/09/69/484120969.db2.gz NLTPYHQSMGZQGN-UHFFFAOYSA-N -1 0 363.374 -0.076 20 0 FBADRM CCCc1nc(=NC(=O)NCCNS(=O)(=O)NC(C)C)s[n-]1 ZINC000516998236 484249654 /nfs/dbraw/zinc/24/96/54/484249654.db2.gz ROMKVCTYPIOWTE-UHFFFAOYSA-N -1 0 350.470 -0.134 20 0 FBADRM C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[C@@H]1C(=O)[O-] ZINC000517024184 484250886 /nfs/dbraw/zinc/25/08/86/484250886.db2.gz BKISTRRPZXZRJS-FMKPAKJESA-N -1 0 367.446 -0.121 20 0 FBADRM C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[C@H]1C(=O)[O-] ZINC000517024185 484250450 /nfs/dbraw/zinc/25/04/50/484250450.db2.gz BKISTRRPZXZRJS-IIAWOOMASA-N -1 0 367.446 -0.121 20 0 FBADRM C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)[C@H]1C(=O)[O-] ZINC000517024186 484250726 /nfs/dbraw/zinc/25/07/26/484250726.db2.gz BKISTRRPZXZRJS-IJEWVQPXSA-N -1 0 367.446 -0.121 20 0 FBADRM C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)[C@@H]1C(=O)[O-] ZINC000517024187 484251198 /nfs/dbraw/zinc/25/11/98/484251198.db2.gz BKISTRRPZXZRJS-YCPHGPKFSA-N -1 0 367.446 -0.121 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CC(=O)N[C@@H]3CCCC[C@@H]31)C2 ZINC000517024309 484250548 /nfs/dbraw/zinc/25/05/48/484250548.db2.gz QYHRZDABTBZSME-CVXDAYKESA-N -1 0 363.414 -0.031 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CC(=O)N[C@@H]3CCCC[C@H]31)C2 ZINC000517024310 484250482 /nfs/dbraw/zinc/25/04/82/484250482.db2.gz QYHRZDABTBZSME-NVAPZFDKSA-N -1 0 363.414 -0.031 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CC(=O)N[C@H]3CCCC[C@@H]31)C2 ZINC000517024311 484251225 /nfs/dbraw/zinc/25/12/25/484251225.db2.gz QYHRZDABTBZSME-PAKFGRKTSA-N -1 0 363.414 -0.031 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CC(=O)N[C@H]3CCCC[C@H]31)C2 ZINC000517024312 484250444 /nfs/dbraw/zinc/25/04/44/484250444.db2.gz QYHRZDABTBZSME-ZVZLLHMNSA-N -1 0 363.414 -0.031 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1ccc(CCNC(C)=O)s1)C(=O)[O-] ZINC000517065988 484039971 /nfs/dbraw/zinc/03/99/71/484039971.db2.gz YEXDXWIXWQIWNQ-JTQLQIEISA-N -1 0 350.418 -0.195 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1ccc(CCNC(C)=O)s1)C(=O)[O-] ZINC000517065989 484038723 /nfs/dbraw/zinc/03/87/23/484038723.db2.gz YEXDXWIXWQIWNQ-SNVBAGLBSA-N -1 0 350.418 -0.195 20 0 FBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000517066179 484253352 /nfs/dbraw/zinc/25/33/52/484253352.db2.gz XVUQLBGIIUQQQC-SECBINFHSA-N -1 0 366.417 -0.556 20 0 FBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000517066180 484253312 /nfs/dbraw/zinc/25/33/12/484253312.db2.gz XVUQLBGIIUQQQC-VIFPVBQESA-N -1 0 366.417 -0.556 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000517093819 484253815 /nfs/dbraw/zinc/25/38/15/484253815.db2.gz ICQANWGXPHDZLB-LLVKDONJSA-N -1 0 373.435 -0.038 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000517093820 484254145 /nfs/dbraw/zinc/25/41/45/484254145.db2.gz ICQANWGXPHDZLB-NSHDSACASA-N -1 0 373.435 -0.038 20 0 FBADRM COCCNS(=O)(=O)c1ccc(CNC(=O)c2n[nH]c(=O)[n-]2)cc1 ZINC000517099484 484253973 /nfs/dbraw/zinc/25/39/73/484253973.db2.gz VUOGSANKJBTZSR-UHFFFAOYSA-N -1 0 355.376 -0.635 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cc1 ZINC000517126937 484256041 /nfs/dbraw/zinc/25/60/41/484256041.db2.gz SSDAFQURFDUBCT-UHFFFAOYSA-N -1 0 373.416 -0.923 20 0 FBADRM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cc1 ZINC000517129223 484255229 /nfs/dbraw/zinc/25/52/29/484255229.db2.gz KGQFCPLDTAESIB-UHFFFAOYSA-N -1 0 368.371 -0.279 20 0 FBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000517145045 484257020 /nfs/dbraw/zinc/25/70/20/484257020.db2.gz SNVVSYHETDTVTP-ZJUUUORDSA-N -1 0 350.462 -0.162 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000517145169 484257734 /nfs/dbraw/zinc/25/77/34/484257734.db2.gz VJSQPHPJQZKHNU-MWLCHTKSSA-N -1 0 359.404 -0.268 20 0 FBADRM COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3cccc(C(=O)[O-])c3)C2)nn1 ZINC000517146016 484256937 /nfs/dbraw/zinc/25/69/37/484256937.db2.gz WHPWRVBVASBAEF-UHFFFAOYSA-N -1 0 373.325 -0.215 20 0 FBADRM O=C([O-])C(=O)N1CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000517154998 484257721 /nfs/dbraw/zinc/25/77/21/484257721.db2.gz VVFWAIINJWNTID-UHFFFAOYSA-N -1 0 374.441 -0.440 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nc3ncccn3n2)cc1 ZINC000517181925 484201956 /nfs/dbraw/zinc/20/19/56/484201956.db2.gz QRTFKRYOXGGJHG-UHFFFAOYSA-N -1 0 368.400 -0.167 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)ccc1OC ZINC000517204720 484258353 /nfs/dbraw/zinc/25/83/53/484258353.db2.gz HAGZCLBSMWRQCQ-SECBINFHSA-N -1 0 368.419 -0.008 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)ccc1OC ZINC000517204722 484258729 /nfs/dbraw/zinc/25/87/29/484258729.db2.gz HAGZCLBSMWRQCQ-VIFPVBQESA-N -1 0 368.419 -0.008 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C[C@H](C)S1(=O)=O ZINC000517230155 484260188 /nfs/dbraw/zinc/26/01/88/484260188.db2.gz UXZADIMMHZGUNT-GRYCIOLGSA-N -1 0 360.432 -0.266 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C[C@@H](C)S1(=O)=O ZINC000517230156 484260621 /nfs/dbraw/zinc/26/06/21/484260621.db2.gz UXZADIMMHZGUNT-IJLUTSLNSA-N -1 0 360.432 -0.266 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C[C@H](C)S1(=O)=O ZINC000517230157 484260834 /nfs/dbraw/zinc/26/08/34/484260834.db2.gz UXZADIMMHZGUNT-TUAOUCFPSA-N -1 0 360.432 -0.266 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C[C@@H](C)S1(=O)=O ZINC000517230158 483488633 /nfs/dbraw/zinc/48/86/33/483488633.db2.gz UXZADIMMHZGUNT-UTUOFQBUSA-N -1 0 360.432 -0.266 20 0 FBADRM CCS(=O)(=O)N(C)CCCNS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000517234202 484260827 /nfs/dbraw/zinc/26/08/27/484260827.db2.gz ZHJNPIQFNRNCJP-LLVKDONJSA-N -1 0 371.481 -0.711 20 0 FBADRM CCS(=O)(=O)N(C)CCCNS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000517234203 484260321 /nfs/dbraw/zinc/26/03/21/484260321.db2.gz ZHJNPIQFNRNCJP-NSHDSACASA-N -1 0 371.481 -0.711 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCc3nn(C)c(=O)cc3C2)C[C@H]1C(=O)[O-] ZINC000517236509 484260964 /nfs/dbraw/zinc/26/09/64/484260964.db2.gz YRWBTWQKTJAXTG-CMPLNLGQSA-N -1 0 362.386 -0.766 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCc3nn(C)c(=O)cc3C2)C[C@@H]1C(=O)[O-] ZINC000517236510 484259642 /nfs/dbraw/zinc/25/96/42/484259642.db2.gz YRWBTWQKTJAXTG-JQWIXIFHSA-N -1 0 362.386 -0.766 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCc3nn(C)c(=O)cc3C2)C[C@@H]1C(=O)[O-] ZINC000517236511 484260266 /nfs/dbraw/zinc/26/02/66/484260266.db2.gz YRWBTWQKTJAXTG-PWSUYJOCSA-N -1 0 362.386 -0.766 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCc3nn(C)c(=O)cc3C2)C[C@H]1C(=O)[O-] ZINC000517236512 484260927 /nfs/dbraw/zinc/26/09/27/484260927.db2.gz YRWBTWQKTJAXTG-ZYHUDNBSSA-N -1 0 362.386 -0.766 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1)C(=O)[O-] ZINC000517238922 484260970 /nfs/dbraw/zinc/26/09/70/484260970.db2.gz KDVNSVBZWKPRNB-NSHDSACASA-N -1 0 358.372 -0.317 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NCCO)cc2)n1 ZINC000517247286 484260000 /nfs/dbraw/zinc/26/00/00/484260000.db2.gz JFXXYRZRGZATIA-UHFFFAOYSA-N -1 0 360.417 -0.509 20 0 FBADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc2nccn2c1)[C@@H](C)C(=O)[O-] ZINC000517247391 484260304 /nfs/dbraw/zinc/26/03/04/484260304.db2.gz TVKCKOCLRSKKIV-JTQLQIEISA-N -1 0 361.358 -0.289 20 0 FBADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc2nccn2c1)[C@H](C)C(=O)[O-] ZINC000517247392 484260772 /nfs/dbraw/zinc/26/07/72/484260772.db2.gz TVKCKOCLRSKKIV-SNVBAGLBSA-N -1 0 361.358 -0.289 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)CC1(C(=O)OC)CCCC1)C(=O)[O-] ZINC000517307880 484262267 /nfs/dbraw/zinc/26/22/67/484262267.db2.gz WURSGETVXOTPSJ-SECBINFHSA-N -1 0 351.377 -0.345 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCNC(=O)[C@H]3C)cc2)[n-]1 ZINC000517355862 484263987 /nfs/dbraw/zinc/26/39/87/484263987.db2.gz ZXKSVSVYYQRFDC-LLVKDONJSA-N -1 0 372.381 -0.158 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCNC(=O)[C@@H]3C)cc2)[n-]1 ZINC000517355863 484263869 /nfs/dbraw/zinc/26/38/69/484263869.db2.gz ZXKSVSVYYQRFDC-NSHDSACASA-N -1 0 372.381 -0.158 20 0 FBADRM CO[C@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000517367018 484263030 /nfs/dbraw/zinc/26/30/30/484263030.db2.gz VWSPFXHCTADWRP-NEPJUHHUSA-N -1 0 367.387 -0.085 20 0 FBADRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000517367019 484263435 /nfs/dbraw/zinc/26/34/35/484263435.db2.gz VWSPFXHCTADWRP-NWDGAFQWSA-N -1 0 367.387 -0.085 20 0 FBADRM CO[C@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000517367020 484263336 /nfs/dbraw/zinc/26/33/36/484263336.db2.gz VWSPFXHCTADWRP-RYUDHWBXSA-N -1 0 367.387 -0.085 20 0 FBADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000517367021 484263634 /nfs/dbraw/zinc/26/36/34/484263634.db2.gz VWSPFXHCTADWRP-VXGBXAGGSA-N -1 0 367.387 -0.085 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000517372118 484263458 /nfs/dbraw/zinc/26/34/58/484263458.db2.gz VENBBXGVHZVNQC-UHFFFAOYSA-N -1 0 366.436 -0.575 20 0 FBADRM COc1ccc(CNC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)cc1OC ZINC000517377486 484263055 /nfs/dbraw/zinc/26/30/55/484263055.db2.gz VANSNYVQARVURZ-UHFFFAOYSA-N -1 0 365.386 -0.451 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(c3ncncc3C(=O)[O-])CC2)cn1C ZINC000517377691 484262943 /nfs/dbraw/zinc/26/29/43/484262943.db2.gz LZNIXGITDUPYMB-UHFFFAOYSA-N -1 0 366.403 -0.272 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)CCC(=O)N2CCOCC2)s1 ZINC000517480228 484267397 /nfs/dbraw/zinc/26/73/97/484267397.db2.gz GAHBEGWGTPAWCD-UHFFFAOYSA-N -1 0 363.421 -0.513 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H]3CC(=O)N(C)C3)cc2)[n-]1 ZINC000517481264 484267930 /nfs/dbraw/zinc/26/79/30/484267930.db2.gz OGUMKZGTBKRSND-CYBMUJFWSA-N -1 0 372.381 -0.158 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@H]3CC(=O)N(C)C3)cc2)[n-]1 ZINC000517481265 484268758 /nfs/dbraw/zinc/26/87/58/484268758.db2.gz OGUMKZGTBKRSND-ZDUSSCGKSA-N -1 0 372.381 -0.158 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Nc2cnn(-c3ccccn3)c2)CCS1(=O)=O ZINC000517555506 484838351 /nfs/dbraw/zinc/83/83/51/484838351.db2.gz CWDKOZXRONJCGD-LLVKDONJSA-N -1 0 365.371 -0.017 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2cnn(-c3ccccn3)c2)CCS1(=O)=O ZINC000517555507 484838108 /nfs/dbraw/zinc/83/81/08/484838108.db2.gz CWDKOZXRONJCGD-NSHDSACASA-N -1 0 365.371 -0.017 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000517560811 484269774 /nfs/dbraw/zinc/26/97/74/484269774.db2.gz ZVBSLTWCGRLLRL-QMMMGPOBSA-N -1 0 366.417 -0.059 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000517601539 484271464 /nfs/dbraw/zinc/27/14/64/484271464.db2.gz LTRFJZLUGCTEEQ-UHFFFAOYSA-N -1 0 374.401 -0.282 20 0 FBADRM COCc1nc(=NC(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)s[n-]1 ZINC000517619589 484271500 /nfs/dbraw/zinc/27/15/00/484271500.db2.gz CNWAUPWMLZYHPK-UHFFFAOYSA-N -1 0 364.387 -0.752 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)NCCc3nc(=O)o[n-]3)cc2C1=O ZINC000517630856 484273428 /nfs/dbraw/zinc/27/34/28/484273428.db2.gz OJDFDXYRVWVGRU-UHFFFAOYSA-N -1 0 352.328 -0.890 20 0 FBADRM O=C(NCCN1CCS(=O)(=O)CC1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000517702657 484275454 /nfs/dbraw/zinc/27/54/54/484275454.db2.gz IOWNVYLAHWOEQT-UHFFFAOYSA-N -1 0 366.399 -0.510 20 0 FBADRM CS(=O)(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC000517736069 483393986 /nfs/dbraw/zinc/39/39/86/483393986.db2.gz GIMLCQRMGGZCQI-HTQZYQBOSA-N -1 0 351.406 -0.258 20 0 FBADRM CS(=O)(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC000517736077 483393869 /nfs/dbraw/zinc/39/38/69/483393869.db2.gz GIMLCQRMGGZCQI-JGVFFNPUSA-N -1 0 351.406 -0.258 20 0 FBADRM CS(=O)(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC000517736079 483394389 /nfs/dbraw/zinc/39/43/89/483394389.db2.gz GIMLCQRMGGZCQI-SFYZADRCSA-N -1 0 351.406 -0.258 20 0 FBADRM CS(=O)(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC000517736080 483394057 /nfs/dbraw/zinc/39/40/57/483394057.db2.gz GIMLCQRMGGZCQI-YUMQZZPRSA-N -1 0 351.406 -0.258 20 0 FBADRM C[C@@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000517738814 483394488 /nfs/dbraw/zinc/39/44/88/483394488.db2.gz CGAMSWNBDGBJPS-GRYCIOLGSA-N -1 0 363.436 -0.795 20 0 FBADRM C[C@@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000517738818 483393898 /nfs/dbraw/zinc/39/38/98/483393898.db2.gz CGAMSWNBDGBJPS-IJLUTSLNSA-N -1 0 363.436 -0.795 20 0 FBADRM C[C@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000517738820 483394525 /nfs/dbraw/zinc/39/45/25/483394525.db2.gz CGAMSWNBDGBJPS-TUAOUCFPSA-N -1 0 363.436 -0.795 20 0 FBADRM C[C@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000517738821 483394336 /nfs/dbraw/zinc/39/43/36/483394336.db2.gz CGAMSWNBDGBJPS-UTUOFQBUSA-N -1 0 363.436 -0.795 20 0 FBADRM CCOC(=O)[C@H]1CCCCN1C(=O)CN(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000517746871 483424281 /nfs/dbraw/zinc/42/42/81/483424281.db2.gz FNFAGOLGLMBDDD-GXTWGEPZSA-N -1 0 371.434 -0.158 20 0 FBADRM CCOC(=O)[C@@H]1CCCCN1C(=O)CN(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000517746872 483424160 /nfs/dbraw/zinc/42/41/60/483424160.db2.gz FNFAGOLGLMBDDD-JSGCOSHPSA-N -1 0 371.434 -0.158 20 0 FBADRM CCOC(=O)[C@@H]1CCCCN1C(=O)CN(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000517746873 483423758 /nfs/dbraw/zinc/42/37/58/483423758.db2.gz FNFAGOLGLMBDDD-OCCSQVGLSA-N -1 0 371.434 -0.158 20 0 FBADRM CCOC(=O)[C@H]1CCCCN1C(=O)CN(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000517746874 483423902 /nfs/dbraw/zinc/42/39/02/483423902.db2.gz FNFAGOLGLMBDDD-TZMCWYRMSA-N -1 0 371.434 -0.158 20 0 FBADRM CC(C)[C@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000517747636 483430240 /nfs/dbraw/zinc/43/02/40/483430240.db2.gz AHHXYFDEJNADSL-NSHDSACASA-N -1 0 356.466 -0.313 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC1(CC(=O)[O-])CC1 ZINC000517750070 483471759 /nfs/dbraw/zinc/47/17/59/483471759.db2.gz RWDIXBIJYAPZLZ-SECBINFHSA-N -1 0 358.420 -0.173 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC1(CC(=O)[O-])CC1 ZINC000517750071 483471359 /nfs/dbraw/zinc/47/13/59/483471359.db2.gz RWDIXBIJYAPZLZ-VIFPVBQESA-N -1 0 358.420 -0.173 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000517750476 483482697 /nfs/dbraw/zinc/48/26/97/483482697.db2.gz LNMGNXDPGLWGAU-JTQLQIEISA-N -1 0 363.436 -0.856 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000517750477 483483064 /nfs/dbraw/zinc/48/30/64/483483064.db2.gz LNMGNXDPGLWGAU-SNVBAGLBSA-N -1 0 363.436 -0.856 20 0 FBADRM CO[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)[C@H](C(=O)[O-])C1 ZINC000517759568 483702978 /nfs/dbraw/zinc/70/29/78/483702978.db2.gz PVTJOORLWNBPQY-AAEUAGOBSA-N -1 0 371.415 -0.207 20 0 FBADRM CO[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)[C@@H](C(=O)[O-])C1 ZINC000517759569 483702684 /nfs/dbraw/zinc/70/26/84/483702684.db2.gz PVTJOORLWNBPQY-DGCLKSJQSA-N -1 0 371.415 -0.207 20 0 FBADRM CO[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)[C@@H](C(=O)[O-])C1 ZINC000517759570 483703331 /nfs/dbraw/zinc/70/33/31/483703331.db2.gz PVTJOORLWNBPQY-WCQYABFASA-N -1 0 371.415 -0.207 20 0 FBADRM CO[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)[C@H](C(=O)[O-])C1 ZINC000517759571 483703604 /nfs/dbraw/zinc/70/36/04/483703604.db2.gz PVTJOORLWNBPQY-YPMHNXCESA-N -1 0 371.415 -0.207 20 0 FBADRM CCCN(CCC)S(=O)(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC000517807847 483753397 /nfs/dbraw/zinc/75/33/97/483753397.db2.gz CIORSSQQVUQHKJ-UHFFFAOYSA-N -1 0 360.440 -0.365 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)[O-] ZINC000517876209 483754526 /nfs/dbraw/zinc/75/45/26/483754526.db2.gz LBJNTGWBGLHULA-GFCCVEGCSA-N -1 0 370.383 -0.553 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000518019799 483758158 /nfs/dbraw/zinc/75/81/58/483758158.db2.gz RYOFFOMCVDDWJL-UHFFFAOYSA-N -1 0 358.380 -0.858 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000518074568 483759325 /nfs/dbraw/zinc/75/93/25/483759325.db2.gz GZARXDZCFASYFD-UHFFFAOYSA-N -1 0 352.372 -0.125 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1 ZINC000518088729 483759803 /nfs/dbraw/zinc/75/98/03/483759803.db2.gz NMVKMOAHDGZGNQ-UHFFFAOYSA-N -1 0 372.428 -0.119 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]c3ccn(CC(N)=O)n3)cc2C1=O ZINC000518092139 483760937 /nfs/dbraw/zinc/76/09/37/483760937.db2.gz HOIIELIEXZDDGZ-UHFFFAOYSA-N -1 0 363.355 -0.605 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)cc1C(N)=O ZINC000518174385 483763011 /nfs/dbraw/zinc/76/30/11/483763011.db2.gz WFBHFCAGYZAVAT-UHFFFAOYSA-N -1 0 352.372 -0.144 20 0 FBADRM Cc1cc(NC(=O)CN2CCN(C(=O)N=c3[n-]ncs3)CC2)no1 ZINC000518182719 483763080 /nfs/dbraw/zinc/76/30/80/483763080.db2.gz KPAPVKUSOSPAAW-UHFFFAOYSA-N -1 0 351.392 -0.533 20 0 FBADRM O=C([O-])C1(C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CCC1 ZINC000518194199 483762808 /nfs/dbraw/zinc/76/28/08/483762808.db2.gz OVJWKYSQHLDCMZ-UHFFFAOYSA-N -1 0 357.388 -0.097 20 0 FBADRM CN(CC(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1)S(C)(=O)=O ZINC000518248415 483764711 /nfs/dbraw/zinc/76/47/11/483764711.db2.gz QFXRVKPYGUKRPE-AWEZNQCLSA-N -1 0 354.388 -0.429 20 0 FBADRM CN(CC(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)S(C)(=O)=O ZINC000518248422 483764645 /nfs/dbraw/zinc/76/46/45/483764645.db2.gz QFXRVKPYGUKRPE-CQSZACIVSA-N -1 0 354.388 -0.429 20 0 FBADRM CCOC[C@H](NS(=O)(=O)N1CCC[C@@H](C(=O)OCC)C1)C(=O)[O-] ZINC000518267913 483765093 /nfs/dbraw/zinc/76/50/93/483765093.db2.gz MXRCISJIJZBHDV-MNOVXSKESA-N -1 0 352.409 -0.414 20 0 FBADRM CCOC[C@H](NS(=O)(=O)N1CCC[C@H](C(=O)OCC)C1)C(=O)[O-] ZINC000518267914 483765162 /nfs/dbraw/zinc/76/51/62/483765162.db2.gz MXRCISJIJZBHDV-QWRGUYRKSA-N -1 0 352.409 -0.414 20 0 FBADRM CC[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1)C(=O)[O-] ZINC000518374539 483770452 /nfs/dbraw/zinc/77/04/52/483770452.db2.gz CBAWGHQSPJPLBY-LLVKDONJSA-N -1 0 365.342 -0.493 20 0 FBADRM CC[C@@H](NC(=O)C(=O)Nc1cc(NS(C)(=O)=O)ccc1OC)C(=O)[O-] ZINC000518374813 483770341 /nfs/dbraw/zinc/77/03/41/483770341.db2.gz JDDXROLXVWQCAK-SECBINFHSA-N -1 0 373.387 -0.015 20 0 FBADRM CN(C)CC(=O)N1CCN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CC1 ZINC000518441031 483778056 /nfs/dbraw/zinc/77/80/56/483778056.db2.gz ZFGPBKZTNOHPIP-UHFFFAOYSA-N -1 0 359.386 -0.124 20 0 FBADRM CC(=O)N1CCN(CCNC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CC1 ZINC000518441997 483778313 /nfs/dbraw/zinc/77/83/13/483778313.db2.gz UJLLHAVSVWCXOG-UHFFFAOYSA-N -1 0 359.386 -0.076 20 0 FBADRM O=C([O-])CSCC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000518444429 483778568 /nfs/dbraw/zinc/77/85/68/483778568.db2.gz RLODLYGKCSNMCH-UHFFFAOYSA-N -1 0 365.411 -0.307 20 0 FBADRM O=C(NCCNC(=O)c1cnccn1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000518457107 483780501 /nfs/dbraw/zinc/78/05/01/483780501.db2.gz MVHCLEKQJYNARV-UHFFFAOYSA-N -1 0 354.326 -0.020 20 0 FBADRM CCN(CCCNC(=O)N[C@](CC)(COC)C(=O)[O-])S(C)(=O)=O ZINC000518478906 483782266 /nfs/dbraw/zinc/78/22/66/483782266.db2.gz PTFYRRZPYAMPCR-CYBMUJFWSA-N -1 0 353.441 -0.163 20 0 FBADRM CCN(CCCNC(=O)N[C@@](CC)(COC)C(=O)[O-])S(C)(=O)=O ZINC000518478907 483782356 /nfs/dbraw/zinc/78/23/56/483782356.db2.gz PTFYRRZPYAMPCR-ZDUSSCGKSA-N -1 0 353.441 -0.163 20 0 FBADRM CC[C@@H](NC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1)C(=O)[O-] ZINC000518533365 483785225 /nfs/dbraw/zinc/78/52/25/483785225.db2.gz XAWJFEQSCNRWJJ-SNVBAGLBSA-N -1 0 357.388 -0.179 20 0 FBADRM NC(=O)N[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000518628511 483793166 /nfs/dbraw/zinc/79/31/66/483793166.db2.gz ZWKIZNLGWGFTHA-MRVPVSSYSA-N -1 0 362.358 -0.488 20 0 FBADRM NC(=O)N[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000518628512 483793173 /nfs/dbraw/zinc/79/31/73/483793173.db2.gz ZWKIZNLGWGFTHA-QMMMGPOBSA-N -1 0 362.358 -0.488 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCCN1C(=O)CNC1=O ZINC000518668459 483798174 /nfs/dbraw/zinc/79/81/74/483798174.db2.gz DALKUGQTTIBUGY-UHFFFAOYSA-N -1 0 354.388 -0.270 20 0 FBADRM COc1ccc(NC(=O)CN2C(=O)CN(C)C2=O)cc1NS(C)(=O)=O ZINC000518765795 484394901 /nfs/dbraw/zinc/39/49/01/484394901.db2.gz JKRYDJXYDXXJQC-UHFFFAOYSA-N -1 0 370.387 -0.101 20 0 FBADRM O=C([O-])[C@H]1CCCN1C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000518770688 484417283 /nfs/dbraw/zinc/41/72/83/484417283.db2.gz ZPYLHZYEVKOZMZ-SNVBAGLBSA-N -1 0 352.372 -0.083 20 0 FBADRM COc1ccc(-n2cc(CNC(=O)C(=O)NCCCC(=O)[O-])nn2)cc1 ZINC000518771055 484418646 /nfs/dbraw/zinc/41/86/46/484418646.db2.gz HKNZZDPDDHUZDA-UHFFFAOYSA-N -1 0 361.358 -0.127 20 0 FBADRM NC(=O)[C@]1(NS(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)CCOC1 ZINC000518790746 483540826 /nfs/dbraw/zinc/54/08/26/483540826.db2.gz LOZOPKZJOJPQQF-HNNXBMFYSA-N -1 0 370.383 -0.343 20 0 FBADRM NC(=O)[C@@]1(NS(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)CCOC1 ZINC000518790747 483540723 /nfs/dbraw/zinc/54/07/23/483540723.db2.gz LOZOPKZJOJPQQF-OAHLLOKOSA-N -1 0 370.383 -0.343 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1 ZINC000518795721 483854279 /nfs/dbraw/zinc/85/42/79/483854279.db2.gz BTQQSLQJYURVAT-UHFFFAOYSA-N -1 0 361.405 -0.782 20 0 FBADRM COCCNC(=O)Cn1cc([N-]S(=O)(=O)c2cn(C)nc2C)cn1 ZINC000518825066 484041106 /nfs/dbraw/zinc/04/11/06/484041106.db2.gz VMFMQAZFEWUYIC-UHFFFAOYSA-N -1 0 356.408 -0.512 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CC1 ZINC000518882249 484112174 /nfs/dbraw/zinc/11/21/74/484112174.db2.gz OVKCSDIHPZCUEG-UHFFFAOYSA-N -1 0 359.386 -0.076 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000518971924 484129994 /nfs/dbraw/zinc/12/99/94/484129994.db2.gz BIBWTUVSLSSYNZ-UHFFFAOYSA-N -1 0 372.465 -0.789 20 0 FBADRM COCCN(CCOC)S(=O)(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000518971927 484130894 /nfs/dbraw/zinc/13/08/94/484130894.db2.gz BKYGJTIDSDUSFI-UHFFFAOYSA-N -1 0 354.425 -0.561 20 0 FBADRM CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC000518972272 484130235 /nfs/dbraw/zinc/13/02/35/484130235.db2.gz XNIRRSIMVQRBBX-SECBINFHSA-N -1 0 363.417 -0.660 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC000518972273 484131041 /nfs/dbraw/zinc/13/10/41/484131041.db2.gz XNIRRSIMVQRBBX-VIFPVBQESA-N -1 0 363.417 -0.660 20 0 FBADRM C[C@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c[nH]cn2)cc1 ZINC000519000012 483970735 /nfs/dbraw/zinc/97/07/35/483970735.db2.gz PPHABDPBTGATKC-VIFPVBQESA-N -1 0 360.417 -0.130 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000519000751 484135781 /nfs/dbraw/zinc/13/57/81/484135781.db2.gz IZNOQUHPZBPTBN-FBIMIBRVSA-N -1 0 358.420 -0.317 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000519000757 484135678 /nfs/dbraw/zinc/13/56/78/484135678.db2.gz IZNOQUHPZBPTBN-LSJOCFKGSA-N -1 0 358.420 -0.317 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@H](C(=O)[O-])C(F)(F)C1 ZINC000519029995 484138841 /nfs/dbraw/zinc/13/88/41/484138841.db2.gz VXDZTZOKJJQTAK-MRVPVSSYSA-N -1 0 364.392 -0.703 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])C(F)(F)C1 ZINC000519029996 484138474 /nfs/dbraw/zinc/13/84/74/484138474.db2.gz VXDZTZOKJJQTAK-QMMMGPOBSA-N -1 0 364.392 -0.703 20 0 FBADRM Cn1nnc(CNS(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)n1 ZINC000519073164 484142165 /nfs/dbraw/zinc/14/21/65/484142165.db2.gz ZJVKRUCJEFNQRZ-UHFFFAOYSA-N -1 0 361.767 -0.195 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2cccc3c2OCC3)C1 ZINC000519134855 484145719 /nfs/dbraw/zinc/14/57/19/484145719.db2.gz KGSUBSMTQOOUGD-LLVKDONJSA-N -1 0 354.384 -0.167 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2cccc3c2OCC3)C1 ZINC000519134856 484145619 /nfs/dbraw/zinc/14/56/19/484145619.db2.gz KGSUBSMTQOOUGD-NSHDSACASA-N -1 0 354.384 -0.167 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)C(=O)NCCCC(=O)[O-])CC2)cc1 ZINC000519155458 484146906 /nfs/dbraw/zinc/14/69/06/484146906.db2.gz FCGDHIHMDAIHER-UHFFFAOYSA-N -1 0 362.386 -0.585 20 0 FBADRM Cc1nc(=NC(=O)C(=O)NCCN=c2[nH]c3ccccc3s2)[n-]n1C ZINC000519170584 484148062 /nfs/dbraw/zinc/14/80/62/484148062.db2.gz WRQXFNLTONXKKY-UHFFFAOYSA-N -1 0 359.415 -0.256 20 0 FBADRM CO[C@H](C)c1nc(=NC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)s[n-]1 ZINC000519171811 484148310 /nfs/dbraw/zinc/14/83/10/484148310.db2.gz GSROWODZZVKAJY-SSDOTTSWSA-N -1 0 374.448 -0.374 20 0 FBADRM CO[C@@H](C)c1nc(=NC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)s[n-]1 ZINC000519171812 484148483 /nfs/dbraw/zinc/14/84/83/484148483.db2.gz GSROWODZZVKAJY-ZETCQYMHSA-N -1 0 374.448 -0.374 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000519238200 484154388 /nfs/dbraw/zinc/15/43/88/484154388.db2.gz SIBSYRKOEVFJJZ-CYBMUJFWSA-N -1 0 366.359 -0.331 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1[C@]1(C)NC(=O)NC1=O ZINC000519238201 484153980 /nfs/dbraw/zinc/15/39/80/484153980.db2.gz SIBSYRKOEVFJJZ-ZDUSSCGKSA-N -1 0 366.359 -0.331 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)N[C@]2(C(=O)[O-])CCOC2)s1 ZINC000519280400 484157694 /nfs/dbraw/zinc/15/76/94/484157694.db2.gz NOYOVWXDQMWHKD-GFCCVEGCSA-N -1 0 363.417 -0.301 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)N[C@@]2(C(=O)[O-])CCOC2)s1 ZINC000519280401 484157507 /nfs/dbraw/zinc/15/75/07/484157507.db2.gz NOYOVWXDQMWHKD-LBPRGKRZSA-N -1 0 363.417 -0.301 20 0 FBADRM Cc1nn2c([n-]nc2SCC(=O)NC(=O)NCc2ccco2)nc1=O ZINC000519305971 484157677 /nfs/dbraw/zinc/15/76/77/484157677.db2.gz GBZVJOLMJJVFRD-UHFFFAOYSA-N -1 0 363.359 -0.168 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)[C@@H](C(=O)[O-])C1 ZINC000519394815 484164623 /nfs/dbraw/zinc/16/46/23/484164623.db2.gz RNPFJUPAJACYSP-GHMZBOCLSA-N -1 0 356.466 -0.217 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)[C@H](C(=O)[O-])C1 ZINC000519394819 484163863 /nfs/dbraw/zinc/16/38/63/484163863.db2.gz RNPFJUPAJACYSP-MNOVXSKESA-N -1 0 356.466 -0.217 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)[C@H](C(=O)[O-])C1 ZINC000519394821 484165024 /nfs/dbraw/zinc/16/50/24/484165024.db2.gz RNPFJUPAJACYSP-QWRGUYRKSA-N -1 0 356.466 -0.217 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)[C@@H](C(=O)[O-])C1 ZINC000519394823 484163856 /nfs/dbraw/zinc/16/38/56/484163856.db2.gz RNPFJUPAJACYSP-WDEREUQCSA-N -1 0 356.466 -0.217 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000519395029 484164458 /nfs/dbraw/zinc/16/44/58/484164458.db2.gz XQJWCPRWMZTKLR-JTQLQIEISA-N -1 0 362.429 -0.055 20 0 FBADRM CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000519395030 484164563 /nfs/dbraw/zinc/16/45/63/484164563.db2.gz XQJWCPRWMZTKLR-SNVBAGLBSA-N -1 0 362.429 -0.055 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H]1C(=O)[O-] ZINC000519400486 484164845 /nfs/dbraw/zinc/16/48/45/484164845.db2.gz FFPIOLHMEFIXTF-BXKDBHETSA-N -1 0 369.399 -0.158 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C(=O)[O-] ZINC000519400487 484164187 /nfs/dbraw/zinc/16/41/87/484164187.db2.gz FFPIOLHMEFIXTF-CABZTGNLSA-N -1 0 369.399 -0.158 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H]1C(=O)[O-] ZINC000519400488 484164356 /nfs/dbraw/zinc/16/43/56/484164356.db2.gz FFPIOLHMEFIXTF-JOYOIKCWSA-N -1 0 369.399 -0.158 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C(=O)[O-] ZINC000519400489 484164916 /nfs/dbraw/zinc/16/49/16/484164916.db2.gz FFPIOLHMEFIXTF-SKDRFNHKSA-N -1 0 369.399 -0.158 20 0 FBADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCCCC(=O)[O-])c1 ZINC000519400523 484164580 /nfs/dbraw/zinc/16/45/80/484164580.db2.gz GQEKNFQPMZTHFE-UHFFFAOYSA-N -1 0 357.388 -0.177 20 0 FBADRM CN1CCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CC1=O ZINC000519400743 484164663 /nfs/dbraw/zinc/16/46/63/484164663.db2.gz OGUCGYRVOOGPEL-KGLIPLIRSA-N -1 0 359.382 -0.386 20 0 FBADRM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)NCCCC(=O)[O-])c1 ZINC000519401753 484163770 /nfs/dbraw/zinc/16/37/70/484163770.db2.gz DQEXZXJJANCMOT-JTQLQIEISA-N -1 0 371.415 -0.247 20 0 FBADRM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)NCCCC(=O)[O-])c1 ZINC000519401754 484164643 /nfs/dbraw/zinc/16/46/43/484164643.db2.gz DQEXZXJJANCMOT-SNVBAGLBSA-N -1 0 371.415 -0.247 20 0 FBADRM CC(C)[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000519408550 484164904 /nfs/dbraw/zinc/16/49/04/484164904.db2.gz AHHXYFDEJNADSL-LLVKDONJSA-N -1 0 356.466 -0.313 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1CNC(=O)c1c[n-]n2c1nccc2=O ZINC000519411770 484165075 /nfs/dbraw/zinc/16/50/75/484165075.db2.gz TUPAEKYQOPIDKI-JTQLQIEISA-N -1 0 353.404 -0.434 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1c[n-]n2c1nccc2=O ZINC000519411771 484164082 /nfs/dbraw/zinc/16/40/82/484164082.db2.gz TUPAEKYQOPIDKI-SNVBAGLBSA-N -1 0 353.404 -0.434 20 0 FBADRM O=C([O-])[C@H](O)CNS(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000519425646 484166832 /nfs/dbraw/zinc/16/68/32/484166832.db2.gz ZXBWFRJISOZVCZ-GFCCVEGCSA-N -1 0 358.372 -0.932 20 0 FBADRM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000519444850 484168135 /nfs/dbraw/zinc/16/81/35/484168135.db2.gz BWFBKOXJKFMSOE-UHFFFAOYSA-N -1 0 361.365 -0.039 20 0 FBADRM CN(C)C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CC1 ZINC000519538289 484174708 /nfs/dbraw/zinc/17/47/08/484174708.db2.gz OKBXGDYTLFHIRU-CYBMUJFWSA-N -1 0 368.434 -0.084 20 0 FBADRM CN(C)C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CC1 ZINC000519538324 484174899 /nfs/dbraw/zinc/17/48/99/484174899.db2.gz OKBXGDYTLFHIRU-ZDUSSCGKSA-N -1 0 368.434 -0.084 20 0 FBADRM CN(C)C(=O)c1ccc(NC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC000519552918 484173984 /nfs/dbraw/zinc/17/39/84/484173984.db2.gz YNYACTPXBMMLFK-UHFFFAOYSA-N -1 0 362.386 -0.444 20 0 FBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C1(CC(=O)[O-])CCC1 ZINC000519553492 484176273 /nfs/dbraw/zinc/17/62/73/484176273.db2.gz YYGDWBZOLWICRP-LLVKDONJSA-N -1 0 360.432 -0.217 20 0 FBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C1(CC(=O)[O-])CCC1 ZINC000519553578 484176345 /nfs/dbraw/zinc/17/63/45/484176345.db2.gz YYGDWBZOLWICRP-NSHDSACASA-N -1 0 360.432 -0.217 20 0 FBADRM COC(=O)CCOc1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cc1 ZINC000519575071 484177179 /nfs/dbraw/zinc/17/71/79/484177179.db2.gz ACGXQDJWMVTORZ-LBPRGKRZSA-N -1 0 361.372 -0.258 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000519598873 484177775 /nfs/dbraw/zinc/17/77/75/484177775.db2.gz ICFGBYAZERZROO-NXEZZACHSA-N -1 0 365.433 -0.148 20 0 FBADRM CS(=O)(=O)N[C@H]1CCCC[C@@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000519598901 484177646 /nfs/dbraw/zinc/17/76/46/484177646.db2.gz ICFGBYAZERZROO-UWVGGRQHSA-N -1 0 365.433 -0.148 20 0 FBADRM CS(=O)(=O)N[C@H]1CCCC[C@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000519598903 484176920 /nfs/dbraw/zinc/17/69/20/484176920.db2.gz ICFGBYAZERZROO-VHSXEESVSA-N -1 0 365.433 -0.148 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000519598907 484177402 /nfs/dbraw/zinc/17/74/02/484177402.db2.gz ICFGBYAZERZROO-ZJUUUORDSA-N -1 0 365.433 -0.148 20 0 FBADRM Cc1oc(S(=O)(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1C(=O)[O-] ZINC000519599135 484177700 /nfs/dbraw/zinc/17/77/00/484177700.db2.gz JRKKZWBCSWVCLC-QMMMGPOBSA-N -1 0 366.417 -0.059 20 0 FBADRM CCCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc1 ZINC000519604519 484177207 /nfs/dbraw/zinc/17/72/07/484177207.db2.gz BXLBWIVBNVDEID-LLVKDONJSA-N -1 0 366.417 -0.901 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cnc1C(F)F ZINC000519607157 484178887 /nfs/dbraw/zinc/17/88/87/484178887.db2.gz GJUDROXDCANLMH-MRVPVSSYSA-N -1 0 368.314 -0.080 20 0 FBADRM O=C([O-])C1CN(S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)C1 ZINC000519616269 484178664 /nfs/dbraw/zinc/17/86/64/484178664.db2.gz YYMBYZHGDCLYIR-UHFFFAOYSA-N -1 0 360.413 -0.168 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2cncc(C(=O)OC)c2)cn1 ZINC000519617582 484178551 /nfs/dbraw/zinc/17/85/51/484178551.db2.gz MCOFUSWHVCZHLY-UHFFFAOYSA-N -1 0 353.360 -0.389 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000519639271 484181217 /nfs/dbraw/zinc/18/12/17/484181217.db2.gz PXAKKFZCJAXPPS-SECBINFHSA-N -1 0 366.417 -0.685 20 0 FBADRM COC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000519639302 484180055 /nfs/dbraw/zinc/18/00/55/484180055.db2.gz PXAKKFZCJAXPPS-VIFPVBQESA-N -1 0 366.417 -0.685 20 0 FBADRM COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1 ZINC000519643156 484180578 /nfs/dbraw/zinc/18/05/78/484180578.db2.gz NCIPHQOEOBZZOE-PXAZEXFGSA-N -1 0 370.402 -0.262 20 0 FBADRM COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC000519643216 484181253 /nfs/dbraw/zinc/18/12/53/484181253.db2.gz NCIPHQOEOBZZOE-SJCJKPOMSA-N -1 0 370.402 -0.262 20 0 FBADRM COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1 ZINC000519643219 484181230 /nfs/dbraw/zinc/18/12/30/484181230.db2.gz NCIPHQOEOBZZOE-SJKOYZFVSA-N -1 0 370.402 -0.262 20 0 FBADRM COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC000519643222 484180965 /nfs/dbraw/zinc/18/09/65/484180965.db2.gz NCIPHQOEOBZZOE-YVEFUNNKSA-N -1 0 370.402 -0.262 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000519653688 484182418 /nfs/dbraw/zinc/18/24/18/484182418.db2.gz PTBGHAYKWUXXMD-HFAKWTLXSA-N -1 0 358.416 -0.655 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000519653713 484182376 /nfs/dbraw/zinc/18/23/76/484182376.db2.gz PTBGHAYKWUXXMD-PGUXBMHVSA-N -1 0 358.416 -0.655 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000519653719 484181853 /nfs/dbraw/zinc/18/18/53/484181853.db2.gz PTBGHAYKWUXXMD-RWSFTLGLSA-N -1 0 358.416 -0.655 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000519653724 484182365 /nfs/dbraw/zinc/18/23/65/484182365.db2.gz PTBGHAYKWUXXMD-ZETOZRRWSA-N -1 0 358.416 -0.655 20 0 FBADRM CCCc1nc(=NC(=O)N2CCO[C@@H](CN(C)CC(N)=O)C2)s[n-]1 ZINC000519672209 484184310 /nfs/dbraw/zinc/18/43/10/484184310.db2.gz SMLCXIFWEJGIBR-JTQLQIEISA-N -1 0 356.452 -0.438 20 0 FBADRM CCCc1nc(=NC(=O)N2CCO[C@H](CN(C)CC(N)=O)C2)s[n-]1 ZINC000519672213 484184441 /nfs/dbraw/zinc/18/44/41/484184441.db2.gz SMLCXIFWEJGIBR-SNVBAGLBSA-N -1 0 356.452 -0.438 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)cc1 ZINC000519677885 484184472 /nfs/dbraw/zinc/18/44/72/484184472.db2.gz YGPAWRRUFGUXDP-AAEUAGOBSA-N -1 0 356.400 -0.108 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)cc1 ZINC000519677886 484183771 /nfs/dbraw/zinc/18/37/71/484183771.db2.gz YGPAWRRUFGUXDP-DGCLKSJQSA-N -1 0 356.400 -0.108 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)cc1 ZINC000519677887 484183853 /nfs/dbraw/zinc/18/38/53/484183853.db2.gz YGPAWRRUFGUXDP-WCQYABFASA-N -1 0 356.400 -0.108 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)cc1 ZINC000519677888 484184011 /nfs/dbraw/zinc/18/40/11/484184011.db2.gz YGPAWRRUFGUXDP-YPMHNXCESA-N -1 0 356.400 -0.108 20 0 FBADRM CNC(=O)[C@@H](C)NC(=O)c1ccc(-n2[n-]c(CC(=O)OC)cc2=O)cc1 ZINC000519682226 484183796 /nfs/dbraw/zinc/18/37/96/484183796.db2.gz MRGNOQVJMMGXQA-SNVBAGLBSA-N -1 0 360.370 -0.255 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CCC[C@](COC)(C(=O)[O-])C2)cn1C ZINC000519697386 484184544 /nfs/dbraw/zinc/18/45/44/484184544.db2.gz HFCNTKDFPLHTNF-HNNXBMFYSA-N -1 0 373.431 -0.113 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CCC[C@@](COC)(C(=O)[O-])C2)cn1C ZINC000519697398 484184231 /nfs/dbraw/zinc/18/42/31/484184231.db2.gz HFCNTKDFPLHTNF-OAHLLOKOSA-N -1 0 373.431 -0.113 20 0 FBADRM CC(=O)NCCN(C(=O)CNS(=O)(=O)c1ccccc1)[C@H](C)C(=O)[O-] ZINC000519701928 484185939 /nfs/dbraw/zinc/18/59/39/484185939.db2.gz AXESWNDJTPGDBP-LLVKDONJSA-N -1 0 371.415 -0.597 20 0 FBADRM CC(=O)NCCN(C(=O)CNS(=O)(=O)c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000519701952 484186044 /nfs/dbraw/zinc/18/60/44/484186044.db2.gz AXESWNDJTPGDBP-NSHDSACASA-N -1 0 371.415 -0.597 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N3C[C@H]4C[C@@]4(C(=O)[O-])C3)cc2n(C)c1=O ZINC000519728267 484185628 /nfs/dbraw/zinc/18/56/28/484185628.db2.gz BSUAVKWMDNQBEK-RFAUZJTJSA-N -1 0 351.384 -0.028 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)cc2n(C)c1=O ZINC000519728280 484186013 /nfs/dbraw/zinc/18/60/13/484186013.db2.gz BSUAVKWMDNQBEK-VFZGTOFNSA-N -1 0 351.384 -0.028 20 0 FBADRM CCCN(C(=O)NC1CCN(S(C)(=O)=O)CC1)[C@H](COC)C(=O)[O-] ZINC000519757484 484187336 /nfs/dbraw/zinc/18/73/36/484187336.db2.gz JNPNVXPNIBJECQ-GFCCVEGCSA-N -1 0 365.452 -0.068 20 0 FBADRM CCCN(C(=O)NC1CCN(S(C)(=O)=O)CC1)[C@@H](COC)C(=O)[O-] ZINC000519757486 484187493 /nfs/dbraw/zinc/18/74/93/484187493.db2.gz JNPNVXPNIBJECQ-LBPRGKRZSA-N -1 0 365.452 -0.068 20 0 FBADRM C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000519767206 484189302 /nfs/dbraw/zinc/18/93/02/484189302.db2.gz FDKQVJFFEXOXNI-LLVKDONJSA-N -1 0 354.407 -0.238 20 0 FBADRM C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000519767213 484189631 /nfs/dbraw/zinc/18/96/31/484189631.db2.gz FDKQVJFFEXOXNI-NSHDSACASA-N -1 0 354.407 -0.238 20 0 FBADRM Cn1nccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)NCCO)cc1 ZINC000519768603 484188792 /nfs/dbraw/zinc/18/87/92/484188792.db2.gz IMIIPOMUXHYIRZ-UHFFFAOYSA-N -1 0 360.417 -0.509 20 0 FBADRM CCS(=O)(=O)N1CCN(S(=O)(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC000519775200 484189391 /nfs/dbraw/zinc/18/93/91/484189391.db2.gz ZGCNUQMQKOMCAW-UHFFFAOYSA-N -1 0 363.417 -0.564 20 0 FBADRM NS(=O)(=O)CCCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000519795232 484191246 /nfs/dbraw/zinc/19/12/46/484191246.db2.gz WFGINQKXFPABTJ-UHFFFAOYSA-N -1 0 371.387 -0.962 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])CCCCC1 ZINC000519798350 484190756 /nfs/dbraw/zinc/19/07/56/484190756.db2.gz GUEOURIQUVRAEW-VIFPVBQESA-N -1 0 350.393 -0.642 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(c3ncc(C(=O)[O-])cn3)CC2)cn1C ZINC000519819364 484192651 /nfs/dbraw/zinc/19/26/51/484192651.db2.gz HZWWZCHRJGTGBT-UHFFFAOYSA-N -1 0 366.403 -0.272 20 0 FBADRM O=C([O-])CN(C(=O)CSCC(=O)N1CCOCC1)C1CCOCC1 ZINC000519822842 484192268 /nfs/dbraw/zinc/19/22/68/484192268.db2.gz FLEOCQVNEXRTDE-UHFFFAOYSA-N -1 0 360.432 -0.329 20 0 FBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000519823212 484192577 /nfs/dbraw/zinc/19/25/77/484192577.db2.gz IJFPFXSDGDCBBL-BDAKNGLRSA-N -1 0 353.422 -0.590 20 0 FBADRM C[C@H]([C@H](C)N(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1)S(C)(=O)=O ZINC000519823222 484192426 /nfs/dbraw/zinc/19/24/26/484192426.db2.gz IJFPFXSDGDCBBL-DTWKUNHWSA-N -1 0 353.422 -0.590 20 0 FBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000519823223 484192261 /nfs/dbraw/zinc/19/22/61/484192261.db2.gz IJFPFXSDGDCBBL-IUCAKERBSA-N -1 0 353.422 -0.590 20 0 FBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000519823225 484191964 /nfs/dbraw/zinc/19/19/64/484191964.db2.gz IJFPFXSDGDCBBL-RKDXNWHRSA-N -1 0 353.422 -0.590 20 0 FBADRM CS(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000519823433 484192061 /nfs/dbraw/zinc/19/20/61/484192061.db2.gz KMMOBQPRRUNOMP-UHFFFAOYSA-N -1 0 352.390 -0.366 20 0 FBADRM O=C([O-])CCCS(=O)(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000519826027 484191848 /nfs/dbraw/zinc/19/18/48/484191848.db2.gz MZYWLJFOXUIAQJ-UHFFFAOYSA-N -1 0 350.418 -0.251 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cccc(CS(N)(=O)=O)c2)cc1C(N)=O ZINC000519876307 484195334 /nfs/dbraw/zinc/19/53/34/484195334.db2.gz RIAQJBYHPSSIDI-UHFFFAOYSA-N -1 0 372.428 -0.287 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC000520224609 484216013 /nfs/dbraw/zinc/21/60/13/484216013.db2.gz PPBSVUAIVGTGJU-SSDOTTSWSA-N -1 0 369.446 -0.456 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)C1 ZINC000520229488 484214422 /nfs/dbraw/zinc/21/44/22/484214422.db2.gz SULYSFOSORKHIS-BDAKNGLRSA-N -1 0 363.374 -0.136 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)C1 ZINC000520229489 484214498 /nfs/dbraw/zinc/21/44/98/484214498.db2.gz SULYSFOSORKHIS-DTWKUNHWSA-N -1 0 363.374 -0.136 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)C1 ZINC000520229490 484215048 /nfs/dbraw/zinc/21/50/48/484215048.db2.gz SULYSFOSORKHIS-IUCAKERBSA-N -1 0 363.374 -0.136 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)C1 ZINC000520229491 484214359 /nfs/dbraw/zinc/21/43/59/484214359.db2.gz SULYSFOSORKHIS-RKDXNWHRSA-N -1 0 363.374 -0.136 20 0 FBADRM CN(C)C(=O)c1cccc(NC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000520234861 484215247 /nfs/dbraw/zinc/21/52/47/484215247.db2.gz GXAYZYFQCFMIDW-UHFFFAOYSA-N -1 0 362.386 -0.444 20 0 FBADRM CCS(=O)(=O)NCCCNS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000520236094 484216773 /nfs/dbraw/zinc/21/67/73/484216773.db2.gz LZKKDLHMTAXEQX-UHFFFAOYSA-N -1 0 364.445 -0.079 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC(=O)Nc2cc(C(=O)[O-])ccc21 ZINC000520236413 484218010 /nfs/dbraw/zinc/21/80/10/484218010.db2.gz WVPMJSFXUSJVFW-MRVPVSSYSA-N -1 0 355.372 -0.050 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC(=O)Nc2cc(C(=O)[O-])ccc21 ZINC000520236414 484218206 /nfs/dbraw/zinc/21/82/06/484218206.db2.gz WVPMJSFXUSJVFW-QMMMGPOBSA-N -1 0 355.372 -0.050 20 0 FBADRM CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000520260307 484221085 /nfs/dbraw/zinc/22/10/85/484221085.db2.gz KMSIIEHUYTZALA-GFCCVEGCSA-N -1 0 363.413 -0.046 20 0 FBADRM CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000520260308 484220740 /nfs/dbraw/zinc/22/07/40/484220740.db2.gz KMSIIEHUYTZALA-LBPRGKRZSA-N -1 0 363.413 -0.046 20 0 FBADRM Cc1cc(=NC(=O)CN2CCC(=O)NC2=O)nc2nc(C(F)(F)F)[n-]n21 ZINC000520322571 484231387 /nfs/dbraw/zinc/23/13/87/484231387.db2.gz ZCLCZAXRBQLRDG-UHFFFAOYSA-N -1 0 371.279 -0.246 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000520363285 484239249 /nfs/dbraw/zinc/23/92/49/484239249.db2.gz FVXSRNADMFPCIJ-LLVKDONJSA-N -1 0 361.370 -0.020 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000520363286 484239777 /nfs/dbraw/zinc/23/97/77/484239777.db2.gz FVXSRNADMFPCIJ-NSHDSACASA-N -1 0 361.370 -0.020 20 0 FBADRM COC(=O)Cc1cc(OC)ccc1S(=O)(=O)NC[C@@H](OC)C(=O)[O-] ZINC000520366774 484236148 /nfs/dbraw/zinc/23/61/48/484236148.db2.gz WQVNZBALRBMLSI-LLVKDONJSA-N -1 0 361.372 -0.211 20 0 FBADRM COC(=O)Cc1cc(OC)ccc1S(=O)(=O)NC[C@H](OC)C(=O)[O-] ZINC000520366775 484235325 /nfs/dbraw/zinc/23/53/25/484235325.db2.gz WQVNZBALRBMLSI-NSHDSACASA-N -1 0 361.372 -0.211 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c2ccccc2O1 ZINC000520393113 484239527 /nfs/dbraw/zinc/23/95/27/484239527.db2.gz CJJOLEQPFJWHRR-GWCFXTLKSA-N -1 0 362.338 -0.113 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c2ccccc2O1 ZINC000520393114 484238823 /nfs/dbraw/zinc/23/88/23/484238823.db2.gz CJJOLEQPFJWHRR-GXFFZTMASA-N -1 0 362.338 -0.113 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c2ccccc2O1 ZINC000520393115 484239826 /nfs/dbraw/zinc/23/98/26/484239826.db2.gz CJJOLEQPFJWHRR-MFKMUULPSA-N -1 0 362.338 -0.113 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c2ccccc2O1 ZINC000520393116 484239331 /nfs/dbraw/zinc/23/93/31/484239331.db2.gz CJJOLEQPFJWHRR-ZWNOBZJWSA-N -1 0 362.338 -0.113 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C1 ZINC000520403065 484242368 /nfs/dbraw/zinc/24/23/68/484242368.db2.gz GKSDLZGWWIJECW-CYBMUJFWSA-N -1 0 371.477 -0.047 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C1 ZINC000520403066 484243909 /nfs/dbraw/zinc/24/39/09/484243909.db2.gz GKSDLZGWWIJECW-ZDUSSCGKSA-N -1 0 371.477 -0.047 20 0 FBADRM C[C@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cn[nH]c2)cc1 ZINC000520429203 484245156 /nfs/dbraw/zinc/24/51/56/484245156.db2.gz JXYLQZZKRRDPEX-VIFPVBQESA-N -1 0 360.417 -0.130 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@]23CCC(=O)N2CCS3)s1 ZINC000520516783 484252455 /nfs/dbraw/zinc/25/24/55/484252455.db2.gz SRRXGLWDNXNXSG-JTQLQIEISA-N -1 0 363.446 -0.086 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@]23CCC(=O)N2CCS3)s1 ZINC000520516784 484252159 /nfs/dbraw/zinc/25/21/59/484252159.db2.gz SRRXGLWDNXNXSG-SNVBAGLBSA-N -1 0 363.446 -0.086 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cc(F)ccc1C(=O)OC)C(=O)[O-] ZINC000520523356 484252978 /nfs/dbraw/zinc/25/29/78/484252978.db2.gz YJYIKUIRNLDXSG-SECBINFHSA-N -1 0 363.319 -0.093 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000520569035 484255581 /nfs/dbraw/zinc/25/55/81/484255581.db2.gz PTFTYFWBNVGMMH-AWEZNQCLSA-N -1 0 367.387 -0.226 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000520569036 484255663 /nfs/dbraw/zinc/25/56/63/484255663.db2.gz PTFTYFWBNVGMMH-CQSZACIVSA-N -1 0 367.387 -0.226 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000520575074 484257265 /nfs/dbraw/zinc/25/72/65/484257265.db2.gz AWSVUZMWEJWQKE-GFCCVEGCSA-N -1 0 362.429 -0.162 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000520575075 484257656 /nfs/dbraw/zinc/25/76/56/484257656.db2.gz AWSVUZMWEJWQKE-LBPRGKRZSA-N -1 0 362.429 -0.162 20 0 FBADRM Cc1c(C(=O)N2CCC(C(=O)[O-])CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000520588827 484255820 /nfs/dbraw/zinc/25/58/20/484255820.db2.gz ZNQJOUVHHGKUAD-UHFFFAOYSA-N -1 0 360.370 -0.123 20 0 FBADRM Cc1cc(S(=O)(=O)NCCNS(C)(=O)=O)cc(C(=O)[O-])c1C ZINC000520590057 484255689 /nfs/dbraw/zinc/25/56/89/484255689.db2.gz QRZCOUJNGXULQR-UHFFFAOYSA-N -1 0 350.418 -0.171 20 0 FBADRM O=C([O-])c1cn(C2CCN(C(=O)Cn3nc4ccccn4c3=O)CC2)nn1 ZINC000520612843 484259437 /nfs/dbraw/zinc/25/94/37/484259437.db2.gz XUROAAWRDDMMOC-UHFFFAOYSA-N -1 0 371.357 -0.351 20 0 FBADRM O=C([O-])C1(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CCCC1 ZINC000520818451 485277346 /nfs/dbraw/zinc/27/73/46/485277346.db2.gz MVEKXZNBWOHLQR-UHFFFAOYSA-N -1 0 351.403 -0.075 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C2(C(=O)[O-])CCC2)c1 ZINC000520818582 485277719 /nfs/dbraw/zinc/27/77/19/485277719.db2.gz UCBJXGSXFGJSPL-UHFFFAOYSA-N -1 0 369.399 -0.096 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NCC(=O)N(C)C)c1 ZINC000520933993 484279165 /nfs/dbraw/zinc/27/91/65/484279165.db2.gz YLFUPZHHENMFHA-UHFFFAOYSA-N -1 0 356.404 -0.166 20 0 FBADRM C[C@H](NC(=O)CS(=O)(=O)c1nnc(-c2ccccc2)[n-]1)C(=O)N(C)C ZINC000520960889 484295478 /nfs/dbraw/zinc/29/54/78/484295478.db2.gz AQGPIPGOFXMYMI-JTQLQIEISA-N -1 0 365.415 -0.162 20 0 FBADRM C[C@@H](NC(=O)CS(=O)(=O)c1nnc(-c2ccccc2)[n-]1)C(=O)N(C)C ZINC000520960890 484294931 /nfs/dbraw/zinc/29/49/31/484294931.db2.gz AQGPIPGOFXMYMI-SNVBAGLBSA-N -1 0 365.415 -0.162 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2cccnc2C(=O)[O-])CCN1S(C)(=O)=O ZINC000521038872 483422994 /nfs/dbraw/zinc/42/29/94/483422994.db2.gz QVTBHGWZPRRBNI-VIFPVBQESA-N -1 0 363.417 -0.566 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000521044898 483461455 /nfs/dbraw/zinc/46/14/55/483461455.db2.gz BEOPZEBQOVEGCL-UHFFFAOYSA-N -1 0 357.313 -0.208 20 0 FBADRM CS(=O)(=O)NCCNS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000521052259 484281721 /nfs/dbraw/zinc/28/17/21/484281721.db2.gz PCFLPDKMGRXMHP-UHFFFAOYSA-N -1 0 370.380 -0.883 20 0 FBADRM COc1ccc(-n2cc([O-])c(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)n2)cc1 ZINC000521066810 483765373 /nfs/dbraw/zinc/76/53/73/483765373.db2.gz PYVNHPBNCDCGGC-DGCLKSJQSA-N -1 0 367.383 -0.526 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CCn2nc3ccccn3c2=O)n[n-]1 ZINC000521179302 484284830 /nfs/dbraw/zinc/28/48/30/484284830.db2.gz KHAZGRSZQFDTPZ-UHFFFAOYSA-N -1 0 351.348 -0.954 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]c1ccccc1C(=O)NCCC(N)=O ZINC000521264079 484288308 /nfs/dbraw/zinc/28/83/08/484288308.db2.gz SIWDMLOVMPNXNY-UHFFFAOYSA-N -1 0 351.388 -0.174 20 0 FBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000521273530 484288466 /nfs/dbraw/zinc/28/84/66/484288466.db2.gz VALNWGGKZIODJC-MGCOHNPYSA-N -1 0 357.388 -0.371 20 0 FBADRM Cn1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCC(N)=O)n1 ZINC000521277434 484287962 /nfs/dbraw/zinc/28/79/62/484287962.db2.gz RUOQZLVPYBTYEZ-UHFFFAOYSA-N -1 0 351.388 -0.174 20 0 FBADRM Cc1c(S(=O)(=O)[N-]c2cnn(CC(=O)N3CCOCC3)c2)cnn1C ZINC000521334789 483465905 /nfs/dbraw/zinc/46/59/05/483465905.db2.gz KATSNWIZPMZYHK-UHFFFAOYSA-N -1 0 368.419 -0.415 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2)C(=O)[O-] ZINC000521338225 483469364 /nfs/dbraw/zinc/46/93/64/483469364.db2.gz DUPAVPVDQMFYBL-MRVPVSSYSA-N -1 0 360.344 -0.596 20 0 FBADRM COC[C@H](NS(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2)C(=O)[O-] ZINC000521338226 483469284 /nfs/dbraw/zinc/46/92/84/483469284.db2.gz DUPAVPVDQMFYBL-QMMMGPOBSA-N -1 0 360.344 -0.596 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCCOCC(=O)[O-] ZINC000521385584 483476564 /nfs/dbraw/zinc/47/65/64/483476564.db2.gz GEOFYRASZRJXMR-UHFFFAOYSA-N -1 0 366.417 -0.684 20 0 FBADRM CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)[C@H](C)C1 ZINC000521423761 483841726 /nfs/dbraw/zinc/84/17/26/483841726.db2.gz NZSFYIWRYVEVKZ-BTJLNZGRSA-N -1 0 351.403 -0.221 20 0 FBADRM CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)[C@@H](C)C1 ZINC000521423762 483841583 /nfs/dbraw/zinc/84/15/83/483841583.db2.gz NZSFYIWRYVEVKZ-PLQHRBFRSA-N -1 0 351.403 -0.221 20 0 FBADRM COCC(=O)Nc1cccc(CNC(=O)C(=O)NCCCC(=O)[O-])c1 ZINC000521435949 483844494 /nfs/dbraw/zinc/84/44/94/483844494.db2.gz HAZSCVLALYRSPI-UHFFFAOYSA-N -1 0 351.359 -0.131 20 0 FBADRM C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000521521349 484295832 /nfs/dbraw/zinc/29/58/32/484295832.db2.gz AZXQKLIOEDQKPI-GXSJLCMTSA-N -1 0 354.450 -0.465 20 0 FBADRM C[C@H](C1CC1)N(C)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000521521350 484295945 /nfs/dbraw/zinc/29/59/45/484295945.db2.gz AZXQKLIOEDQKPI-KOLCDFICSA-N -1 0 354.450 -0.465 20 0 FBADRM C[C@H](C1CC1)N(C)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000521521351 484295943 /nfs/dbraw/zinc/29/59/43/484295943.db2.gz AZXQKLIOEDQKPI-MWLCHTKSSA-N -1 0 354.450 -0.465 20 0 FBADRM C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000521521352 484295715 /nfs/dbraw/zinc/29/57/15/484295715.db2.gz AZXQKLIOEDQKPI-ONGXEEELSA-N -1 0 354.450 -0.465 20 0 FBADRM CCOC(=O)c1ccc(CS(=O)(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000521562595 484297897 /nfs/dbraw/zinc/29/78/97/484297897.db2.gz YEDWPFAHSOJKHB-UHFFFAOYSA-N -1 0 358.372 -0.517 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)c1cccc2c1OC(F)(F)O2)C(=O)[O-] ZINC000521580071 484297987 /nfs/dbraw/zinc/29/79/87/484297987.db2.gz WIXOYMPHXMMRLH-YFKPBYRVSA-N -1 0 352.271 -0.385 20 0 FBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)NCCCN1C(=O)CCC1=O ZINC000521582683 484297302 /nfs/dbraw/zinc/29/73/02/484297302.db2.gz RCJBIBGZHSXEEL-UHFFFAOYSA-N -1 0 374.440 -0.093 20 0 FBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000521624404 484298338 /nfs/dbraw/zinc/29/83/38/484298338.db2.gz AIQGTEBOZIIUNH-BNOWGMLFSA-N -1 0 359.382 -0.340 20 0 FBADRM C[C@H]1C(=O)NCCN1C(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000521624413 484299390 /nfs/dbraw/zinc/29/93/90/484299390.db2.gz AIQGTEBOZIIUNH-YUTCNCBUSA-N -1 0 359.382 -0.340 20 0 FBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)[O-] ZINC000521631617 484298957 /nfs/dbraw/zinc/29/89/57/484298957.db2.gz RGQWTYZAYFBNAA-APPZFPTMSA-N -1 0 351.406 -0.006 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)[O-] ZINC000521631620 484298431 /nfs/dbraw/zinc/29/84/31/484298431.db2.gz RGQWTYZAYFBNAA-CBAPKCEASA-N -1 0 351.406 -0.006 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)[O-] ZINC000521631621 484299111 /nfs/dbraw/zinc/29/91/11/484299111.db2.gz RGQWTYZAYFBNAA-IONNQARKSA-N -1 0 351.406 -0.006 20 0 FBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)[O-] ZINC000521631623 484298798 /nfs/dbraw/zinc/29/87/98/484298798.db2.gz RGQWTYZAYFBNAA-VXNVDRBHSA-N -1 0 351.406 -0.006 20 0 FBADRM CCC(CC)(NC(=O)C1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C1)C(N)=O ZINC000521653836 484299729 /nfs/dbraw/zinc/29/97/29/484299729.db2.gz BIQLHTVPPJCJPB-UHFFFAOYSA-N -1 0 370.435 -0.779 20 0 FBADRM Cn1[n-]nnc1=NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000521663682 484300784 /nfs/dbraw/zinc/30/07/84/484300784.db2.gz GDXVDULCARKPHE-GFCCVEGCSA-N -1 0 352.420 -0.299 20 0 FBADRM Cn1[n-]nnc1=NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000521663683 484300945 /nfs/dbraw/zinc/30/09/45/484300945.db2.gz GDXVDULCARKPHE-LBPRGKRZSA-N -1 0 352.420 -0.299 20 0 FBADRM CC(=O)NCCNC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O ZINC000521805779 484305333 /nfs/dbraw/zinc/30/53/33/484305333.db2.gz NFHCOEOTSNRLGD-UHFFFAOYSA-N -1 0 356.404 -0.118 20 0 FBADRM O=C([O-])[C@H](CF)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000521869507 484307109 /nfs/dbraw/zinc/30/71/09/484307109.db2.gz CYJOEZQNDPZUHQ-JTQLQIEISA-N -1 0 354.381 -0.693 20 0 FBADRM O=C([O-])[C@@H](CF)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000521869508 484307737 /nfs/dbraw/zinc/30/77/37/484307737.db2.gz CYJOEZQNDPZUHQ-SNVBAGLBSA-N -1 0 354.381 -0.693 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccccc2Cn2cncn2)CCO1 ZINC000521869952 484306947 /nfs/dbraw/zinc/30/69/47/484306947.db2.gz YWWVOBUGFIRVIO-GFCCVEGCSA-N -1 0 352.372 -0.200 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccccc2Cn2cncn2)CCO1 ZINC000521869953 484307242 /nfs/dbraw/zinc/30/72/42/484307242.db2.gz YWWVOBUGFIRVIO-LBPRGKRZSA-N -1 0 352.372 -0.200 20 0 FBADRM CN(CCCC(=O)[O-])S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000521869973 484306487 /nfs/dbraw/zinc/30/64/87/484306487.db2.gz ZIWLMBWCOJDELL-UHFFFAOYSA-N -1 0 356.466 -0.216 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](S(C)(=O)=O)CC2)C[C@@H]1C(=O)[O-] ZINC000521874807 484309108 /nfs/dbraw/zinc/30/91/08/484309108.db2.gz FLUUOIQOZHRXNT-AGIUHOORSA-N -1 0 374.459 -0.019 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](S(C)(=O)=O)CC2)C[C@H]1C(=O)[O-] ZINC000521874808 484308979 /nfs/dbraw/zinc/30/89/79/484308979.db2.gz FLUUOIQOZHRXNT-FRRDWIJNSA-N -1 0 374.459 -0.019 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)C[C@H]1C(=O)[O-] ZINC000521874809 484309342 /nfs/dbraw/zinc/30/93/42/484309342.db2.gz FLUUOIQOZHRXNT-JHJVBQTASA-N -1 0 374.459 -0.019 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)C[C@@H]1C(=O)[O-] ZINC000521874811 484309092 /nfs/dbraw/zinc/30/90/92/484309092.db2.gz FLUUOIQOZHRXNT-UPJWGTAASA-N -1 0 374.459 -0.019 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-] ZINC000521948842 484312620 /nfs/dbraw/zinc/31/26/20/484312620.db2.gz YRJNCSUITVSPKI-VIFPVBQESA-N -1 0 351.377 -0.345 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000521976809 484313126 /nfs/dbraw/zinc/31/31/26/484313126.db2.gz IHVRJFIQOOLQLF-BDAKNGLRSA-N -1 0 350.418 -0.018 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC000521976810 484313046 /nfs/dbraw/zinc/31/30/46/484313046.db2.gz IHVRJFIQOOLQLF-DTWKUNHWSA-N -1 0 350.418 -0.018 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC000521976811 484314022 /nfs/dbraw/zinc/31/40/22/484314022.db2.gz IHVRJFIQOOLQLF-IUCAKERBSA-N -1 0 350.418 -0.018 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000521976812 484313948 /nfs/dbraw/zinc/31/39/48/484313948.db2.gz IHVRJFIQOOLQLF-RKDXNWHRSA-N -1 0 350.418 -0.018 20 0 FBADRM COCCn1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000522253960 484325581 /nfs/dbraw/zinc/32/55/81/484325581.db2.gz MKTIUEBRIWCAIT-UHFFFAOYSA-N -1 0 360.417 -0.022 20 0 FBADRM CCN(CC(=O)NC(C)C)C(=O)CSc1n[n-]c2nc(=O)c(C)nn12 ZINC000522316737 484328705 /nfs/dbraw/zinc/32/87/05/484328705.db2.gz JMESPPOCOVKXDW-UHFFFAOYSA-N -1 0 367.435 -0.414 20 0 FBADRM Cc1nn2c([n-]nc2SCC(=O)NC(=O)NC2CCCC2)nc1=O ZINC000522316968 484329010 /nfs/dbraw/zinc/32/90/10/484329010.db2.gz UPKGMLDXKRWPDA-UHFFFAOYSA-N -1 0 351.392 -0.018 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)cc1 ZINC000522740269 483485093 /nfs/dbraw/zinc/48/50/93/483485093.db2.gz KKNHUCWJHUBCIE-UHFFFAOYSA-N -1 0 351.388 -0.081 20 0 FBADRM NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)n1 ZINC000522744222 483486366 /nfs/dbraw/zinc/48/63/66/483486366.db2.gz HEZXYXFGAHRKGZ-UHFFFAOYSA-N -1 0 365.371 -0.110 20 0 FBADRM NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)n1 ZINC000522744407 483485719 /nfs/dbraw/zinc/48/57/19/483485719.db2.gz UJQHZAYUQAYLFX-UHFFFAOYSA-N -1 0 363.355 -0.557 20 0 FBADRM COCCNS(=O)(=O)c1cccc(CNC(=O)c2n[nH]c(=O)[n-]2)c1 ZINC000522780112 483855318 /nfs/dbraw/zinc/85/53/18/483855318.db2.gz WFKHGRIPIBKVRK-UHFFFAOYSA-N -1 0 355.376 -0.635 20 0 FBADRM O=C(CCNS(=O)(=O)c1cccnc1)NC1(c2nnn[n-]2)CCCC1 ZINC000522928613 484339228 /nfs/dbraw/zinc/33/92/28/484339228.db2.gz NJDQONIVGXXMRZ-UHFFFAOYSA-N -1 0 365.419 -0.151 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)NC2(c3nnn[n-]3)CCCC2)cc1 ZINC000522929487 484338977 /nfs/dbraw/zinc/33/89/77/484338977.db2.gz YRSMQVIVMWCHAF-UHFFFAOYSA-N -1 0 350.404 -0.025 20 0 FBADRM Cn1c(C(=O)NC2(c3nnn[n-]3)CCCC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000522931316 484339395 /nfs/dbraw/zinc/33/93/95/484339395.db2.gz CRFHCEAYLMNFAA-UHFFFAOYSA-N -1 0 372.389 -0.712 20 0 FBADRM COC(=O)CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2c[nH]cn2)c1 ZINC000522959969 484339166 /nfs/dbraw/zinc/33/91/66/484339166.db2.gz WSCZWNMXZCPBAL-UHFFFAOYSA-N -1 0 374.400 -0.338 20 0 FBADRM Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)N2CCNC(=O)C2)cn1 ZINC000523018863 484342377 /nfs/dbraw/zinc/34/23/77/484342377.db2.gz WTFNMBDLJNZTJF-UHFFFAOYSA-N -1 0 369.428 -0.146 20 0 FBADRM CC(C)(C)c1nc(=NC(=O)C(=O)NCCN2C(=O)CCC2=O)s[n-]1 ZINC000523047753 484343191 /nfs/dbraw/zinc/34/31/91/484343191.db2.gz SXUMIOYGHKCBQO-UHFFFAOYSA-N -1 0 353.404 -0.539 20 0 FBADRM O=C(NCCNC(=O)c1cnccn1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000523298840 484349821 /nfs/dbraw/zinc/34/98/21/484349821.db2.gz JMSGSOAJUGWJCG-UHFFFAOYSA-N -1 0 355.314 -0.614 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)Cn2cc(C(N)=O)c3ccccc32)n[n-]1 ZINC000523514276 484354002 /nfs/dbraw/zinc/35/40/02/484354002.db2.gz FVJXZZLTIHCIJX-UHFFFAOYSA-N -1 0 362.371 -0.100 20 0 FBADRM COCCS(=O)(=O)[N-]c1cc(OC)c(S(N)(=O)=O)cc1OC ZINC000523533635 484356143 /nfs/dbraw/zinc/35/61/43/484356143.db2.gz WMFWVKKPLUSNDN-UHFFFAOYSA-N -1 0 354.406 -0.261 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000523580595 484356359 /nfs/dbraw/zinc/35/63/59/484356359.db2.gz XJEBZBBNWBMKKJ-GFCCVEGCSA-N -1 0 373.369 -0.503 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000523580596 484355501 /nfs/dbraw/zinc/35/55/01/484355501.db2.gz XJEBZBBNWBMKKJ-LBPRGKRZSA-N -1 0 373.369 -0.503 20 0 FBADRM CN(CC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)S(C)(=O)=O ZINC000523845038 484362462 /nfs/dbraw/zinc/36/24/62/484362462.db2.gz GGGZOEVUXBHFIA-HNNXBMFYSA-N -1 0 368.415 -0.751 20 0 FBADRM CN(CC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)S(C)(=O)=O ZINC000523845039 484362507 /nfs/dbraw/zinc/36/25/07/484362507.db2.gz GGGZOEVUXBHFIA-OAHLLOKOSA-N -1 0 368.415 -0.751 20 0 FBADRM O=C(CSCC(=O)N1CCOCC1)NC1(c2nnn[n-]2)CCCC1 ZINC000524042019 484366705 /nfs/dbraw/zinc/36/67/05/484366705.db2.gz NIAHKMYIOFNFHP-UHFFFAOYSA-N -1 0 354.436 -0.323 20 0 FBADRM CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1 ZINC000524171643 484368118 /nfs/dbraw/zinc/36/81/18/484368118.db2.gz YCLSJKDLSVDQEF-UHFFFAOYSA-N -1 0 373.416 -0.323 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N=c2nc(C(C)(C)C)[n-]s2)cn1 ZINC000524357637 484370689 /nfs/dbraw/zinc/37/06/89/484370689.db2.gz CSQUHFWGBVVVMG-UHFFFAOYSA-N -1 0 358.449 -0.092 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@@H](C)Sc2n[n-]c3nc(=O)c(C)nn23)CC1 ZINC000524517533 484376560 /nfs/dbraw/zinc/37/65/60/484376560.db2.gz LAPXTCYKCZQRMA-SECBINFHSA-N -1 0 365.419 -0.708 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@H](C)Sc2n[n-]c3nc(=O)c(C)nn23)CC1 ZINC000524517534 484376662 /nfs/dbraw/zinc/37/66/62/484376662.db2.gz LAPXTCYKCZQRMA-VIFPVBQESA-N -1 0 365.419 -0.708 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)CC2)[nH]1 ZINC000524572307 484377467 /nfs/dbraw/zinc/37/74/67/484377467.db2.gz RZXKFUKTJNDGDF-UHFFFAOYSA-N -1 0 370.373 -0.179 20 0 FBADRM CN1CCN(CCCNC(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)CC1 ZINC000524803633 484394561 /nfs/dbraw/zinc/39/45/61/484394561.db2.gz DVOOBTIGUYKGTC-UHFFFAOYSA-N -1 0 368.507 -0.050 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000524875849 484395804 /nfs/dbraw/zinc/39/58/04/484395804.db2.gz WCBDMCRGPBQMBG-LLVKDONJSA-N -1 0 352.372 -0.077 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000524875851 484395511 /nfs/dbraw/zinc/39/55/11/484395511.db2.gz WCBDMCRGPBQMBG-NSHDSACASA-N -1 0 352.372 -0.077 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCN(C)C(=O)C2)c1 ZINC000524877484 484396783 /nfs/dbraw/zinc/39/67/83/484396783.db2.gz VVNONZYGEUSBME-UHFFFAOYSA-N -1 0 368.415 -0.069 20 0 FBADRM COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccccc2S(N)(=O)=O)n1 ZINC000525007805 484398551 /nfs/dbraw/zinc/39/85/51/484398551.db2.gz QJHRSBBLQGRRPZ-UHFFFAOYSA-N -1 0 374.400 -0.496 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]c1cnn(CC(=O)N2CCOCC2)c1 ZINC000525017485 484399080 /nfs/dbraw/zinc/39/90/80/484399080.db2.gz WZARQALKUZUDMX-UHFFFAOYSA-N -1 0 354.392 -0.724 20 0 FBADRM Cn1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)N3CCOCC3)c2)n1 ZINC000525020070 484398232 /nfs/dbraw/zinc/39/82/32/484398232.db2.gz NABJDZXUAFUMPK-UHFFFAOYSA-N -1 0 354.392 -0.724 20 0 FBADRM CCc1nnc([N-]C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)s1 ZINC000525176819 484468925 /nfs/dbraw/zinc/46/89/25/484468925.db2.gz CXNDJHZPDFXFJC-UHFFFAOYSA-N -1 0 359.389 -0.291 20 0 FBADRM Cc1cc(C(=O)N[C@H](C)C(=O)N2CCOCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000525332624 484404481 /nfs/dbraw/zinc/40/44/81/484404481.db2.gz YSKILXUBMUJHFR-SECBINFHSA-N -1 0 361.358 -0.278 20 0 FBADRM Cc1cc(C(=O)N[C@@H](C)C(=O)N2CCOCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000525332625 484404703 /nfs/dbraw/zinc/40/47/03/484404703.db2.gz YSKILXUBMUJHFR-VIFPVBQESA-N -1 0 361.358 -0.278 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]c2cnn(CC(=O)NCC[NH+](C)C)c2)c[nH]1 ZINC000525523572 483695118 /nfs/dbraw/zinc/69/51/18/483695118.db2.gz JZDFRVHJVRHOOJ-UHFFFAOYSA-N -1 0 355.424 -0.607 20 0 FBADRM Cc1cc(=NC(=O)N=c2ccn(CC(=O)N3CCOCC3)[nH]2)[n-]nc1C ZINC000525842835 483922612 /nfs/dbraw/zinc/92/26/12/483922612.db2.gz MMYYNJUGCCAWLT-UHFFFAOYSA-N -1 0 359.390 -0.363 20 0 FBADRM O=C1CN(c2ccc([N-]S(=O)(=O)c3cnc4n3CCC4)cn2)CCN1 ZINC000525865656 484056840 /nfs/dbraw/zinc/05/68/40/484056840.db2.gz ODWXJOMYJHRNSQ-UHFFFAOYSA-N -1 0 362.415 -0.039 20 0 FBADRM COCCOc1ccc(F)cc1S(=O)(=O)N[C@@H](CCO)C(=O)[O-] ZINC000526060947 483598219 /nfs/dbraw/zinc/59/82/19/483598219.db2.gz PVGUERJMOLFJKR-JTQLQIEISA-N -1 0 351.352 -0.035 20 0 FBADRM Cn1nncc1CN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000526152698 484472352 /nfs/dbraw/zinc/47/23/52/484472352.db2.gz FKFHGKFLTFYBSL-UHFFFAOYSA-N -1 0 356.374 -0.234 20 0 FBADRM O=C([O-])c1coc(CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 ZINC000526951147 484503735 /nfs/dbraw/zinc/50/37/35/484503735.db2.gz PGIYBWAFNWNDAD-UHFFFAOYSA-N -1 0 365.323 -0.014 20 0 FBADRM Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)NC(CO)CO)cn1 ZINC000526955721 484503577 /nfs/dbraw/zinc/50/35/77/484503577.db2.gz KCCIOAYQYXGRJE-UHFFFAOYSA-N -1 0 360.417 -0.635 20 0 FBADRM COC(=O)[C@H]([N-]S(=O)(=O)CCCN1CCOCC1)c1ccn(C)n1 ZINC000527043159 484507612 /nfs/dbraw/zinc/50/76/12/484507612.db2.gz ORMOFLXLOMVKMN-CYBMUJFWSA-N -1 0 360.436 -0.724 20 0 FBADRM COC(=O)[C@@H]([N-]S(=O)(=O)CCCN1CCOCC1)c1ccn(C)n1 ZINC000527043160 484507847 /nfs/dbraw/zinc/50/78/47/484507847.db2.gz ORMOFLXLOMVKMN-ZDUSSCGKSA-N -1 0 360.436 -0.724 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2scnc2C)cn1 ZINC000527050893 484507608 /nfs/dbraw/zinc/50/76/08/484507608.db2.gz HNVHHVXJGYNKGH-JTQLQIEISA-N -1 0 374.400 -0.075 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2scnc2C)cn1 ZINC000527050894 484507521 /nfs/dbraw/zinc/50/75/21/484507521.db2.gz HNVHHVXJGYNKGH-SNVBAGLBSA-N -1 0 374.400 -0.075 20 0 FBADRM COCCOc1ccc(F)cc1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000527051123 484507447 /nfs/dbraw/zinc/50/74/47/484507447.db2.gz CPNFIEHBINYCNO-UHFFFAOYSA-N -1 0 364.351 -0.670 20 0 FBADRM Cc1ncsc1[C@@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000527052029 484507778 /nfs/dbraw/zinc/50/77/78/484507778.db2.gz ATDVIZFJMLZQGP-SECBINFHSA-N -1 0 358.401 -0.007 20 0 FBADRM Cc1ncsc1[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000527052030 484507636 /nfs/dbraw/zinc/50/76/36/484507636.db2.gz ATDVIZFJMLZQGP-VIFPVBQESA-N -1 0 358.401 -0.007 20 0 FBADRM COCCOc1ccc(F)cc1S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000527052569 484507334 /nfs/dbraw/zinc/50/73/34/484507334.db2.gz KDAINOVHJHABML-SECBINFHSA-N -1 0 364.351 -0.542 20 0 FBADRM COCCOc1ccc(F)cc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000527052570 484507677 /nfs/dbraw/zinc/50/76/77/484507677.db2.gz KDAINOVHJHABML-VIFPVBQESA-N -1 0 364.351 -0.542 20 0 FBADRM COCCCn1ccc(=NC(=O)N=c2ncn(CC(=O)N(C)C)[n-]2)[nH]1 ZINC000527055628 484508482 /nfs/dbraw/zinc/50/84/82/484508482.db2.gz UEIMHONVTCMHRV-UHFFFAOYSA-N -1 0 350.383 -0.913 20 0 FBADRM CN1C(=O)C[C@@H](N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)C1=O ZINC000527118021 485136263 /nfs/dbraw/zinc/13/62/63/485136263.db2.gz SSXUHCKRNYVAQK-SECBINFHSA-N -1 0 372.369 -0.806 20 0 FBADRM CN1C(=O)C[C@H](N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)C1=O ZINC000527118022 485136395 /nfs/dbraw/zinc/13/63/95/485136395.db2.gz SSXUHCKRNYVAQK-VIFPVBQESA-N -1 0 372.369 -0.806 20 0 FBADRM O=C(C1CC(=O)C1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000527139200 485137684 /nfs/dbraw/zinc/13/76/84/485137684.db2.gz MBVIHYSDVQNLBN-UHFFFAOYSA-N -1 0 357.354 -0.057 20 0 FBADRM Cn1cc([C@H]2[C@H](C(=O)N3CCC[C@@H](c4nnn[n-]4)C3)OCC(=O)N2C)cn1 ZINC000527167694 485139692 /nfs/dbraw/zinc/13/96/92/485139692.db2.gz IWBHETHWZLFYBE-DDTOSNHZSA-N -1 0 374.405 -0.762 20 0 FBADRM Cn1cc([C@H]2[C@H](C(=O)N3CCC[C@H](c4nnn[n-]4)C3)OCC(=O)N2C)cn1 ZINC000527167695 485139628 /nfs/dbraw/zinc/13/96/28/485139628.db2.gz IWBHETHWZLFYBE-LEWSCRJBSA-N -1 0 374.405 -0.762 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)nn1 ZINC000527206048 485141347 /nfs/dbraw/zinc/14/13/47/485141347.db2.gz OTSOOKSQBJSNSL-UHFFFAOYSA-N -1 0 357.330 -0.038 20 0 FBADRM CCCC[C@H](NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000527220643 485141565 /nfs/dbraw/zinc/14/15/65/485141565.db2.gz YRKUKAQSQNQUCZ-JTQLQIEISA-N -1 0 350.375 -0.051 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C(=O)[O-])c1scnc1C ZINC000527300431 484215429 /nfs/dbraw/zinc/21/54/29/484215429.db2.gz BLYFNSVQESCEMQ-MRVPVSSYSA-N -1 0 371.462 -0.564 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C(=O)[O-])c1scnc1C ZINC000527300432 484215506 /nfs/dbraw/zinc/21/55/06/484215506.db2.gz BLYFNSVQESCEMQ-QMMMGPOBSA-N -1 0 371.462 -0.564 20 0 FBADRM COCCOc1ccc(F)cc1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000527301047 484266701 /nfs/dbraw/zinc/26/67/01/484266701.db2.gz BGCSHHCXAGOBBK-UHFFFAOYSA-N -1 0 351.352 -0.082 20 0 FBADRM COCCOc1ccc(F)cc1S(=O)(=O)N[C@H](CCO)C(=O)[O-] ZINC000527301711 484363650 /nfs/dbraw/zinc/36/36/50/484363650.db2.gz PVGUERJMOLFJKR-SNVBAGLBSA-N -1 0 351.352 -0.035 20 0 FBADRM COCCOc1ccc(F)cc1S(=O)(=O)NCC[C@H](O)C(=O)[O-] ZINC000527302368 484416034 /nfs/dbraw/zinc/41/60/34/484416034.db2.gz ODYQRVAYAPYMMR-JTQLQIEISA-N -1 0 351.352 -0.035 20 0 FBADRM O=C(N=c1ccn(CCN2CCOCC2)[nH]1)N=c1nc2ccccn2[n-]1 ZINC000527305041 483882428 /nfs/dbraw/zinc/88/24/28/483882428.db2.gz TZJSJKQVUWQEDK-UHFFFAOYSA-N -1 0 356.390 -0.254 20 0 FBADRM Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2cnc([O-])n(C)c2=O)cn1 ZINC000527459434 485143484 /nfs/dbraw/zinc/14/34/84/485143484.db2.gz GERFEAAPQKLESX-RYUDHWBXSA-N -1 0 364.381 -0.438 20 0 FBADRM CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000528046815 485157616 /nfs/dbraw/zinc/15/76/16/485157616.db2.gz GZTGNKBZIILVRC-GFCCVEGCSA-N -1 0 367.431 -0.347 20 0 FBADRM CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000528046824 485157648 /nfs/dbraw/zinc/15/76/48/485157648.db2.gz GZTGNKBZIILVRC-LBPRGKRZSA-N -1 0 367.431 -0.347 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1COCCN1 ZINC000528052586 485157968 /nfs/dbraw/zinc/15/79/68/485157968.db2.gz DZNVESORLRVELE-LLVKDONJSA-N -1 0 363.461 -0.796 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1COCCN1 ZINC000528052615 485157313 /nfs/dbraw/zinc/15/73/13/485157313.db2.gz DZNVESORLRVELE-NSHDSACASA-N -1 0 363.461 -0.796 20 0 FBADRM O=c1nc(CCNS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)[n-]o1 ZINC000528377294 484471637 /nfs/dbraw/zinc/47/16/37/484471637.db2.gz CAAVYTOZWMBMAC-UHFFFAOYSA-N -1 0 364.383 -0.281 20 0 FBADRM CCn1nncc1CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000528441074 484472651 /nfs/dbraw/zinc/47/26/51/484472651.db2.gz NMCGMWNDVJAFPJ-UHFFFAOYSA-N -1 0 351.348 -0.474 20 0 FBADRM CCn1ncc(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)n1 ZINC000528447394 484472548 /nfs/dbraw/zinc/47/25/48/484472548.db2.gz RTEPGWIOYYDXKK-UHFFFAOYSA-N -1 0 351.348 -0.474 20 0 FBADRM O=S(=O)(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1C[C@@H](CO)[C@H](CO)C1 ZINC000528467359 484472601 /nfs/dbraw/zinc/47/26/01/484472601.db2.gz JWKZGXSRSSMIDN-IUCAKERBSA-N -1 0 373.822 -0.259 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NC[C@@H](O)[C@H]3CCCO3)cc-2c(=O)[n-]1 ZINC000528484279 484473750 /nfs/dbraw/zinc/47/37/50/484473750.db2.gz HPWJPELMVYLWRU-NXEZZACHSA-N -1 0 356.360 -0.746 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NC[C@H](O)[C@@H]3CCCO3)cc-2c(=O)[n-]1 ZINC000528484280 484474046 /nfs/dbraw/zinc/47/40/46/484474046.db2.gz HPWJPELMVYLWRU-UWVGGRQHSA-N -1 0 356.360 -0.746 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NC[C@H](O)[C@H]3CCCO3)cc-2c(=O)[n-]1 ZINC000528484281 484474074 /nfs/dbraw/zinc/47/40/74/484474074.db2.gz HPWJPELMVYLWRU-VHSXEESVSA-N -1 0 356.360 -0.746 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NC[C@@H](O)[C@@H]3CCCO3)cc-2c(=O)[n-]1 ZINC000528484282 484473698 /nfs/dbraw/zinc/47/36/98/484473698.db2.gz HPWJPELMVYLWRU-ZJUUUORDSA-N -1 0 356.360 -0.746 20 0 FBADRM CCOC[C@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCO1 ZINC000528538035 484475143 /nfs/dbraw/zinc/47/51/43/484475143.db2.gz MBRJOMNKTYAGCK-SECBINFHSA-N -1 0 370.387 -0.138 20 0 FBADRM CCOC[C@@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCO1 ZINC000528538036 484474654 /nfs/dbraw/zinc/47/46/54/484474654.db2.gz MBRJOMNKTYAGCK-VIFPVBQESA-N -1 0 370.387 -0.138 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(C)(C)C(=O)N2CCCC2)c(=O)n(C)c1=O ZINC000528561380 484476397 /nfs/dbraw/zinc/47/63/97/484476397.db2.gz JESOHVXZCPXYDO-UHFFFAOYSA-N -1 0 372.447 -0.989 20 0 FBADRM COc1ccc(S(=O)(=O)NCC2COC2)cc1[C@]1(C)NC(=O)NC1=O ZINC000528564131 484475856 /nfs/dbraw/zinc/47/58/56/484475856.db2.gz MWMHYHWSUPAWTK-HNNXBMFYSA-N -1 0 369.399 -0.326 20 0 FBADRM COc1ccc(S(=O)(=O)NCC2COC2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000528564133 484475619 /nfs/dbraw/zinc/47/56/19/484475619.db2.gz MWMHYHWSUPAWTK-OAHLLOKOSA-N -1 0 369.399 -0.326 20 0 FBADRM CNC(=O)NC[C@@H]1CN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CCO1 ZINC000528618623 484477648 /nfs/dbraw/zinc/47/76/48/484477648.db2.gz BAHYNHGGFKKTHN-LLVKDONJSA-N -1 0 367.431 -0.362 20 0 FBADRM CNC(=O)NC[C@H]1CN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CCO1 ZINC000528618627 484477244 /nfs/dbraw/zinc/47/72/44/484477244.db2.gz BAHYNHGGFKKTHN-NSHDSACASA-N -1 0 367.431 -0.362 20 0 FBADRM CC(=O)NCC(=O)N1CCCN(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000528736542 484480984 /nfs/dbraw/zinc/48/09/84/484480984.db2.gz ZZFSPMCHFPPQJD-UHFFFAOYSA-N -1 0 362.430 -0.095 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000528901981 484482286 /nfs/dbraw/zinc/48/22/86/484482286.db2.gz BDFHKWOKTSWJKT-JTQLQIEISA-N -1 0 365.433 -0.232 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000528907631 484482073 /nfs/dbraw/zinc/48/20/73/484482073.db2.gz LUJNDRHQKXHUAQ-LLVKDONJSA-N -1 0 368.419 -0.216 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000528907635 484481604 /nfs/dbraw/zinc/48/16/04/484481604.db2.gz LUJNDRHQKXHUAQ-NSHDSACASA-N -1 0 368.419 -0.216 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)Cn2ccc(C(F)F)n2)cc1C(N)=O ZINC000528909709 484481562 /nfs/dbraw/zinc/48/15/62/484481562.db2.gz OGTLISXZGVZIIE-UHFFFAOYSA-N -1 0 361.330 -0.237 20 0 FBADRM COCCCn1cc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cn1 ZINC000528910854 484481906 /nfs/dbraw/zinc/48/19/06/484481906.db2.gz VTAKTJKFZUCDHL-UHFFFAOYSA-N -1 0 369.403 -0.524 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)N2CCCCC2)C1 ZINC000528932782 484482599 /nfs/dbraw/zinc/48/25/99/484482599.db2.gz QBNHKFGWXBFHOR-NSHDSACASA-N -1 0 353.466 -0.495 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)C1 ZINC000528941618 484482065 /nfs/dbraw/zinc/48/20/65/484482065.db2.gz CUWFQCQSZIHNRW-NWDGAFQWSA-N -1 0 368.477 -0.327 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)C1 ZINC000528941619 484481737 /nfs/dbraw/zinc/48/17/37/484481737.db2.gz CUWFQCQSZIHNRW-RYUDHWBXSA-N -1 0 368.477 -0.327 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1cn(C[C@H]2CCOC2)nn1 ZINC000528947363 484482395 /nfs/dbraw/zinc/48/23/95/484482395.db2.gz VEBWZZHKYRGGID-NEPJUHHUSA-N -1 0 358.420 -0.057 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1cn(C[C@@H]2CCOC2)nn1 ZINC000528947367 484483594 /nfs/dbraw/zinc/48/35/94/484483594.db2.gz VEBWZZHKYRGGID-NWDGAFQWSA-N -1 0 358.420 -0.057 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1cn(C[C@@H]2CCOC2)nn1 ZINC000528947370 484483088 /nfs/dbraw/zinc/48/30/88/484483088.db2.gz VEBWZZHKYRGGID-RYUDHWBXSA-N -1 0 358.420 -0.057 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1cn(C[C@H]2CCOC2)nn1 ZINC000528947373 484483241 /nfs/dbraw/zinc/48/32/41/484483241.db2.gz VEBWZZHKYRGGID-VXGBXAGGSA-N -1 0 358.420 -0.057 20 0 FBADRM Cc1ccnc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000528951685 484483739 /nfs/dbraw/zinc/48/37/39/484483739.db2.gz PLXJDRHABUMXPT-NSHDSACASA-N -1 0 361.445 -0.133 20 0 FBADRM Cc1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)n(C2CCOCC2)n1 ZINC000528958491 484484083 /nfs/dbraw/zinc/48/40/83/484484083.db2.gz KIEOFERNJSJROL-UHFFFAOYSA-N -1 0 358.420 -0.150 20 0 FBADRM Cc1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)nn1C1CCOCC1 ZINC000528958714 484484101 /nfs/dbraw/zinc/48/41/01/484484101.db2.gz PNCZMNAPMYFLIH-UHFFFAOYSA-N -1 0 358.420 -0.150 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccc(Cn2ccnn2)cc1 ZINC000528958735 484483277 /nfs/dbraw/zinc/48/32/77/484483277.db2.gz PVUVQSZHPIECEX-UHFFFAOYSA-N -1 0 351.388 -0.367 20 0 FBADRM CN1C(=O)COc2ccc(C(=O)[N-]S(=O)(=O)N3CCOCC3)cc21 ZINC000528958942 484483686 /nfs/dbraw/zinc/48/36/86/484483686.db2.gz VMXZPSJYKAETQX-UHFFFAOYSA-N -1 0 355.372 -0.651 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CC(F)(F)F)C1 ZINC000528959064 484483638 /nfs/dbraw/zinc/48/36/38/484483638.db2.gz WCGOLNPCTNZDHX-ZETCQYMHSA-N -1 0 352.356 -0.334 20 0 FBADRM Cc1oc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cc1S(C)(=O)=O ZINC000528959078 484483384 /nfs/dbraw/zinc/48/33/84/484483384.db2.gz WLZXTKDNWLNHQX-UHFFFAOYSA-N -1 0 352.390 -0.702 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cn(C[C@@H]3CCOC3)nn2)cn1 ZINC000528962405 484483630 /nfs/dbraw/zinc/48/36/30/484483630.db2.gz DUCLTZBLCVHERN-JTQLQIEISA-N -1 0 354.392 -0.350 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cn(C[C@H]3CCOC3)nn2)cn1 ZINC000528962406 484483545 /nfs/dbraw/zinc/48/35/45/484483545.db2.gz DUCLTZBLCVHERN-SNVBAGLBSA-N -1 0 354.392 -0.350 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cn1 ZINC000528964955 484483759 /nfs/dbraw/zinc/48/37/59/484483759.db2.gz VPOROOQERDRLBP-JTQLQIEISA-N -1 0 364.449 -0.621 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cn(C[C@H]3CCOC3)nn2)nc1C ZINC000528978482 484483119 /nfs/dbraw/zinc/48/31/19/484483119.db2.gz LVFISOHHHSPZPW-LLVKDONJSA-N -1 0 368.419 -0.042 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cn(C[C@@H]3CCOC3)nn2)nc1C ZINC000528978483 484483986 /nfs/dbraw/zinc/48/39/86/484483986.db2.gz LVFISOHHHSPZPW-NSHDSACASA-N -1 0 368.419 -0.042 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccnc2)C1 ZINC000528980885 484483910 /nfs/dbraw/zinc/48/39/10/484483910.db2.gz HMWMKBSCOBYHKA-LBPRGKRZSA-N -1 0 361.445 -0.301 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1nc(C(F)(F)F)n2c1CCCC2 ZINC000528981245 484483970 /nfs/dbraw/zinc/48/39/70/484483970.db2.gz KYZWQLQSQPFHJY-UHFFFAOYSA-N -1 0 354.310 -0.217 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)C1 ZINC000528982957 484484015 /nfs/dbraw/zinc/48/40/15/484484015.db2.gz VLOVMKVQXHDFDV-QWRGUYRKSA-N -1 0 354.450 -0.717 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)C1 ZINC000528982958 484484051 /nfs/dbraw/zinc/48/40/51/484484051.db2.gz VLOVMKVQXHDFDV-WDEREUQCSA-N -1 0 354.450 -0.717 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000528984261 484483645 /nfs/dbraw/zinc/48/36/45/484483645.db2.gz PEBJIQIUYUYSLZ-QWRGUYRKSA-N -1 0 354.450 -0.717 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)C1 ZINC000528984262 484484076 /nfs/dbraw/zinc/48/40/76/484484076.db2.gz PEBJIQIUYUYSLZ-WDEREUQCSA-N -1 0 354.450 -0.717 20 0 FBADRM Cc1cncn1CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000528990658 484483923 /nfs/dbraw/zinc/48/39/23/484483923.db2.gz UZNMASONSMILON-UHFFFAOYSA-N -1 0 363.399 -0.113 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)c1cn(C[C@@H]2CCOC2)nn1 ZINC000528992556 484483701 /nfs/dbraw/zinc/48/37/01/484483701.db2.gz AVRAWMBPEGZHTK-JTQLQIEISA-N -1 0 366.403 -0.424 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)c1cn(C[C@H]2CCOC2)nn1 ZINC000528992557 484483861 /nfs/dbraw/zinc/48/38/61/484483861.db2.gz AVRAWMBPEGZHTK-SNVBAGLBSA-N -1 0 366.403 -0.424 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ncccc2F)C1 ZINC000528994901 484483437 /nfs/dbraw/zinc/48/34/37/484483437.db2.gz FXKONECNEVXHRK-VIFPVBQESA-N -1 0 365.408 -0.303 20 0 FBADRM O=C([N-]S(=O)(=O)c1ncccc1F)c1cn(C[C@H]2CCOC2)nn1 ZINC000528996458 484483578 /nfs/dbraw/zinc/48/35/78/484483578.db2.gz QAQPWSOIHXFFRY-SECBINFHSA-N -1 0 355.351 -0.033 20 0 FBADRM O=C([N-]S(=O)(=O)c1ncccc1F)c1cn(C[C@@H]2CCOC2)nn1 ZINC000528996459 484483363 /nfs/dbraw/zinc/48/33/63/484483363.db2.gz QAQPWSOIHXFFRY-VIFPVBQESA-N -1 0 355.351 -0.033 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C[C@@H]3CCOC3)nn2)cn1 ZINC000529005447 484483995 /nfs/dbraw/zinc/48/39/95/484483995.db2.gz ZLEXEZAKIOGFAC-JTQLQIEISA-N -1 0 367.387 -0.163 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C[C@H]3CCOC3)nn2)cn1 ZINC000529005448 484483110 /nfs/dbraw/zinc/48/31/10/484483110.db2.gz ZLEXEZAKIOGFAC-SNVBAGLBSA-N -1 0 367.387 -0.163 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccn2)C1 ZINC000529006341 484483602 /nfs/dbraw/zinc/48/36/02/484483602.db2.gz FUDBKUFPCCOXAG-NSHDSACASA-N -1 0 361.445 -0.301 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000529007257 483780789 /nfs/dbraw/zinc/78/07/89/483780789.db2.gz BFZBGVUOPXJIRA-QMMMGPOBSA-N -1 0 366.421 -0.958 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000529007469 484540226 /nfs/dbraw/zinc/54/02/26/484540226.db2.gz DORSZIFXXCCJIN-MRVPVSSYSA-N -1 0 356.364 -0.688 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000529007478 484540023 /nfs/dbraw/zinc/54/00/23/484540023.db2.gz DORSZIFXXCCJIN-QMMMGPOBSA-N -1 0 356.364 -0.688 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)c(C)o1 ZINC000529010132 484540000 /nfs/dbraw/zinc/54/00/00/484540000.db2.gz RDHRWAFZMLLPCF-UHFFFAOYSA-N -1 0 363.373 -0.011 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)C1 ZINC000529014610 484484094 /nfs/dbraw/zinc/48/40/94/484484094.db2.gz UVVARQZTKNUPNB-NEPJUHHUSA-N -1 0 368.477 -0.469 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)C1 ZINC000529014611 484483563 /nfs/dbraw/zinc/48/35/63/484483563.db2.gz UVVARQZTKNUPNB-RYUDHWBXSA-N -1 0 368.477 -0.469 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000529016553 484484043 /nfs/dbraw/zinc/48/40/43/484484043.db2.gz AHKWHBRMJWQGDC-JTQLQIEISA-N -1 0 354.392 -0.525 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000529016554 484483710 /nfs/dbraw/zinc/48/37/10/484483710.db2.gz AHKWHBRMJWQGDC-SNVBAGLBSA-N -1 0 354.392 -0.525 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000529016609 484483773 /nfs/dbraw/zinc/48/37/73/484483773.db2.gz BSISRRIIUDLAGL-JTQLQIEISA-N -1 0 364.449 -0.795 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000529018875 484483331 /nfs/dbraw/zinc/48/33/31/484483331.db2.gz DNRZPQHZAWTFAV-JTQLQIEISA-N -1 0 354.392 -0.525 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000529018878 484483445 /nfs/dbraw/zinc/48/34/45/484483445.db2.gz DNRZPQHZAWTFAV-SNVBAGLBSA-N -1 0 354.392 -0.525 20 0 FBADRM O=C([N-]S(=O)(=O)c1ncc(Cl)cn1)c1cn(C[C@H]2CCOC2)nn1 ZINC000529019900 484483372 /nfs/dbraw/zinc/48/33/72/484483372.db2.gz RKMUEAJUDYPGFW-MRVPVSSYSA-N -1 0 372.794 -0.123 20 0 FBADRM O=C([N-]S(=O)(=O)c1ncc(Cl)cn1)c1cn(C[C@@H]2CCOC2)nn1 ZINC000529019902 484484058 /nfs/dbraw/zinc/48/40/58/484484058.db2.gz RKMUEAJUDYPGFW-QMMMGPOBSA-N -1 0 372.794 -0.123 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000529021371 484483099 /nfs/dbraw/zinc/48/30/99/484483099.db2.gz NIWWUYWRTLLKCO-JTQLQIEISA-N -1 0 364.449 -0.795 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cnn1C ZINC000529021470 484483264 /nfs/dbraw/zinc/48/32/64/484483264.db2.gz ALYSSJGOKCACJI-JTQLQIEISA-N -1 0 364.449 -0.795 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2nn(C)c3ccccc32)CC1 ZINC000529021478 484483314 /nfs/dbraw/zinc/48/33/14/484483314.db2.gz AOCPRUFWXIXLPG-UHFFFAOYSA-N -1 0 365.415 -0.288 20 0 FBADRM CC(=O)Nc1cc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)ccn1 ZINC000529021646 484483255 /nfs/dbraw/zinc/48/32/55/484483255.db2.gz BJXKNLFICWBQOA-UHFFFAOYSA-N -1 0 369.403 -0.821 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cnnc3ccccc32)CC1 ZINC000529022387 484483556 /nfs/dbraw/zinc/48/35/56/484483556.db2.gz FNZOAOKRKIUNSO-UHFFFAOYSA-N -1 0 363.399 -0.232 20 0 FBADRM COCCCn1cc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)cn1 ZINC000529022392 484483486 /nfs/dbraw/zinc/48/34/86/484483486.db2.gz FPUSPRUYINYVNA-UHFFFAOYSA-N -1 0 373.435 -0.942 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ncc3c(F)cccn32)CC1 ZINC000529022931 484483825 /nfs/dbraw/zinc/48/38/25/484483825.db2.gz HBDUFBNNWBIOEX-UHFFFAOYSA-N -1 0 369.378 -0.388 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)Cn2ccc(C(F)F)n2)CC1 ZINC000529022993 484484959 /nfs/dbraw/zinc/48/49/59/484484959.db2.gz HRBRBMSAPLPQRE-UHFFFAOYSA-N -1 0 365.362 -0.654 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@]2(C)Br)CC1 ZINC000529023620 484484855 /nfs/dbraw/zinc/48/48/55/484484855.db2.gz NDKWPBXKYRPBON-GXSJLCMTSA-N -1 0 368.253 -0.315 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2C[C@]2(C)Br)CC1 ZINC000529024082 484485241 /nfs/dbraw/zinc/48/52/41/484485241.db2.gz NDKWPBXKYRPBON-KOLCDFICSA-N -1 0 368.253 -0.315 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@]2(C)Br)CC1 ZINC000529024083 484485026 /nfs/dbraw/zinc/48/50/26/484485026.db2.gz NDKWPBXKYRPBON-MWLCHTKSSA-N -1 0 368.253 -0.315 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@]2(C)Br)CC1 ZINC000529024084 484484532 /nfs/dbraw/zinc/48/45/32/484484532.db2.gz NDKWPBXKYRPBON-ONGXEEELSA-N -1 0 368.253 -0.315 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2cn(C[C@@H]3CCOC3)nn2)cnn1C ZINC000529025021 484485102 /nfs/dbraw/zinc/48/51/02/484485102.db2.gz ULDWSZRENFGMGA-JTQLQIEISA-N -1 0 354.392 -0.525 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2cn(C[C@H]3CCOC3)nn2)cnn1C ZINC000529025022 484484909 /nfs/dbraw/zinc/48/49/09/484484909.db2.gz ULDWSZRENFGMGA-SNVBAGLBSA-N -1 0 354.392 -0.525 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc(F)cn1)c1cn(C[C@H]2CCOC2)nn1 ZINC000529032193 484484962 /nfs/dbraw/zinc/48/49/62/484484962.db2.gz RRDYIFZAJKTUAJ-SECBINFHSA-N -1 0 355.351 -0.033 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc(F)cn1)c1cn(C[C@@H]2CCOC2)nn1 ZINC000529032195 484484705 /nfs/dbraw/zinc/48/47/05/484484705.db2.gz RRDYIFZAJKTUAJ-VIFPVBQESA-N -1 0 355.351 -0.033 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)c2cn(C[C@@H]3CCOC3)nn2)cn1C ZINC000529032325 484484664 /nfs/dbraw/zinc/48/46/64/484484664.db2.gz RCOOWBZROHGXGH-JTQLQIEISA-N -1 0 354.392 -0.525 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)c2cn(C[C@H]3CCOC3)nn2)cn1C ZINC000529032326 484484716 /nfs/dbraw/zinc/48/47/16/484484716.db2.gz RCOOWBZROHGXGH-SNVBAGLBSA-N -1 0 354.392 -0.525 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(F)cn2)C1 ZINC000529033052 484485112 /nfs/dbraw/zinc/48/51/12/484485112.db2.gz UWXOQUJRTZWNJO-VIFPVBQESA-N -1 0 365.408 -0.303 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cn1C ZINC000529033421 484484819 /nfs/dbraw/zinc/48/48/19/484484819.db2.gz XGCROXBKHNGAMM-JTQLQIEISA-N -1 0 364.449 -0.795 20 0 FBADRM Cc1ccncc1S(=O)(=O)[N-]C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000529036490 484484746 /nfs/dbraw/zinc/48/47/46/484484746.db2.gz QUZHUUIWPNMRSK-NSHDSACASA-N -1 0 361.445 -0.133 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cn1 ZINC000529044672 484485089 /nfs/dbraw/zinc/48/50/89/484485089.db2.gz UOWNZRUBBZBHSW-NSHDSACASA-N -1 0 364.449 -0.962 20 0 FBADRM Cc1oc(C(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)cc1S(C)(=O)=O ZINC000529045663 484485163 /nfs/dbraw/zinc/48/51/63/484485163.db2.gz XTGZNRDJMMFARZ-UHFFFAOYSA-N -1 0 361.401 -0.015 20 0 FBADRM CNC(=O)NC[C@H]1CN(C(=O)N=c2nc([C@@H](C)OC)[n-]s2)CCO1 ZINC000529100587 484485180 /nfs/dbraw/zinc/48/51/80/484485180.db2.gz BCQKMLBNPHFKTA-BDAKNGLRSA-N -1 0 358.424 -0.171 20 0 FBADRM CNC(=O)NC[C@@H]1CN(C(=O)N=c2nc([C@H](C)OC)[n-]s2)CCO1 ZINC000529100591 484484738 /nfs/dbraw/zinc/48/47/38/484484738.db2.gz BCQKMLBNPHFKTA-DTWKUNHWSA-N -1 0 358.424 -0.171 20 0 FBADRM CNC(=O)NC[C@H]1CN(C(=O)N=c2nc([C@H](C)OC)[n-]s2)CCO1 ZINC000529100592 484484599 /nfs/dbraw/zinc/48/45/99/484484599.db2.gz BCQKMLBNPHFKTA-IUCAKERBSA-N -1 0 358.424 -0.171 20 0 FBADRM CNC(=O)NC[C@@H]1CN(C(=O)N=c2nc([C@@H](C)OC)[n-]s2)CCO1 ZINC000529100593 484484605 /nfs/dbraw/zinc/48/46/05/484484605.db2.gz BCQKMLBNPHFKTA-RKDXNWHRSA-N -1 0 358.424 -0.171 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)nnn1-c1cnn(C)c1 ZINC000529102329 484485154 /nfs/dbraw/zinc/48/51/54/484485154.db2.gz CLZHMEFOWXYTBE-LLVKDONJSA-N -1 0 368.419 -0.064 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)nnn1-c1cnn(C)c1 ZINC000529102334 484485070 /nfs/dbraw/zinc/48/50/70/484485070.db2.gz CLZHMEFOWXYTBE-NSHDSACASA-N -1 0 368.419 -0.064 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1)c2=O ZINC000529103304 484485158 /nfs/dbraw/zinc/48/51/58/484485158.db2.gz FSVHFYGAXSPDLB-SECBINFHSA-N -1 0 369.403 -0.857 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1)c2=O ZINC000529103307 484485149 /nfs/dbraw/zinc/48/51/49/484485149.db2.gz FSVHFYGAXSPDLB-VIFPVBQESA-N -1 0 369.403 -0.857 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)C2CCN(S(C)(=O)=O)CC2)CO1 ZINC000529103398 484485033 /nfs/dbraw/zinc/48/50/33/484485033.db2.gz GNSINZBJEPQOGI-LLVKDONJSA-N -1 0 368.477 -0.329 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)C2CCN(S(C)(=O)=O)CC2)CO1 ZINC000529103400 484485126 /nfs/dbraw/zinc/48/51/26/484485126.db2.gz GNSINZBJEPQOGI-NSHDSACASA-N -1 0 368.477 -0.329 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)[C@H]2COCCN2CC(F)F)CO1 ZINC000529103685 484484971 /nfs/dbraw/zinc/48/49/71/484484971.db2.gz CYZGNPQFGIEHJL-NXEZZACHSA-N -1 0 356.391 -0.034 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2CC(F)F)CO1 ZINC000529103686 484484921 /nfs/dbraw/zinc/48/49/21/484484921.db2.gz CYZGNPQFGIEHJL-UWVGGRQHSA-N -1 0 356.391 -0.034 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)[C@H]2COCCN2CC(F)F)CO1 ZINC000529103687 484485012 /nfs/dbraw/zinc/48/50/12/484485012.db2.gz CYZGNPQFGIEHJL-VHSXEESVSA-N -1 0 356.391 -0.034 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2CC(F)F)CO1 ZINC000529103688 484484954 /nfs/dbraw/zinc/48/49/54/484484954.db2.gz CYZGNPQFGIEHJL-ZJUUUORDSA-N -1 0 356.391 -0.034 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CO1 ZINC000529104215 484485251 /nfs/dbraw/zinc/48/52/51/484485251.db2.gz JEEBJELWIONDHX-BMIGLBTASA-N -1 0 373.431 -0.280 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CO1 ZINC000529104228 484484984 /nfs/dbraw/zinc/48/49/84/484484984.db2.gz JEEBJELWIONDHX-BONVTDFDSA-N -1 0 373.431 -0.280 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CO1 ZINC000529104230 484484934 /nfs/dbraw/zinc/48/49/34/484484934.db2.gz JEEBJELWIONDHX-MEBBXXQBSA-N -1 0 373.431 -0.280 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CO1 ZINC000529104232 484484763 /nfs/dbraw/zinc/48/47/63/484484763.db2.gz JEEBJELWIONDHX-ZUZCIYMTSA-N -1 0 373.431 -0.280 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)Cn2nnc3ccccc3c2=O)CO1 ZINC000529105031 484485046 /nfs/dbraw/zinc/48/50/46/484485046.db2.gz KGISUPYVSUZZII-JTQLQIEISA-N -1 0 366.399 -0.195 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)Cn2nnc3ccccc3c2=O)CO1 ZINC000529105049 484485169 /nfs/dbraw/zinc/48/51/69/484485169.db2.gz KGISUPYVSUZZII-SNVBAGLBSA-N -1 0 366.399 -0.195 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CO1 ZINC000529105459 484485255 /nfs/dbraw/zinc/48/52/55/484485255.db2.gz ITZPQCCLVXNAQC-SDDRHHMPSA-N -1 0 370.427 -0.049 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CO1 ZINC000529105461 484485039 /nfs/dbraw/zinc/48/50/39/484485039.db2.gz ITZPQCCLVXNAQC-UTUOFQBUSA-N -1 0 370.427 -0.049 20 0 FBADRM Cc1nc(Cn2cc(C(=O)[N-]S(=O)(=O)[C@H]3COC(C)(C)C3)nn2)no1 ZINC000529106705 484484522 /nfs/dbraw/zinc/48/45/22/484484522.db2.gz LJDGLVZJOPYTST-SECBINFHSA-N -1 0 370.391 -0.355 20 0 FBADRM Cc1nc(Cn2cc(C(=O)[N-]S(=O)(=O)[C@@H]3COC(C)(C)C3)nn2)no1 ZINC000529106706 484484610 /nfs/dbraw/zinc/48/46/10/484484610.db2.gz LJDGLVZJOPYTST-VIFPVBQESA-N -1 0 370.391 -0.355 20 0 FBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000529107626 484484673 /nfs/dbraw/zinc/48/46/73/484484673.db2.gz FXPRZQPMBVIPMH-JTQLQIEISA-N -1 0 368.415 -0.113 20 0 FBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000529107630 484484585 /nfs/dbraw/zinc/48/45/85/484484585.db2.gz FXPRZQPMBVIPMH-SNVBAGLBSA-N -1 0 368.415 -0.113 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)nnn1-c1ccn(C)n1 ZINC000529107894 484484642 /nfs/dbraw/zinc/48/46/42/484484642.db2.gz NTYQBSRLGHBBRJ-JTQLQIEISA-N -1 0 368.419 -0.064 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)nnn1-c1ccn(C)n1 ZINC000529107895 484484779 /nfs/dbraw/zinc/48/47/79/484484779.db2.gz NTYQBSRLGHBBRJ-SNVBAGLBSA-N -1 0 368.419 -0.064 20 0 FBADRM Cn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)[C@H]3COC(C)(C)C3)CC2=O)cn1 ZINC000529108633 484484870 /nfs/dbraw/zinc/48/48/70/484484870.db2.gz XJIAZIAXEDGFNX-CMPLNLGQSA-N -1 0 370.431 -0.214 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)CN2C(=O)NC3(CCCC3)C2=O)CO1 ZINC000529108784 484485848 /nfs/dbraw/zinc/48/58/48/484485848.db2.gz RMNKZRHPBKTTRW-JTQLQIEISA-N -1 0 373.431 -0.136 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)CN2C(=O)NC3(CCCC3)C2=O)CO1 ZINC000529108789 484485624 /nfs/dbraw/zinc/48/56/24/484485624.db2.gz RMNKZRHPBKTTRW-SNVBAGLBSA-N -1 0 373.431 -0.136 20 0 FBADRM Cn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]3COC(C)(C)C3)CC2=O)cn1 ZINC000529108933 484486384 /nfs/dbraw/zinc/48/63/84/484486384.db2.gz XJIAZIAXEDGFNX-JQWIXIFHSA-N -1 0 370.431 -0.214 20 0 FBADRM Cn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)[C@@H]3COC(C)(C)C3)CC2=O)cn1 ZINC000529108940 484486271 /nfs/dbraw/zinc/48/62/71/484486271.db2.gz XJIAZIAXEDGFNX-PWSUYJOCSA-N -1 0 370.431 -0.214 20 0 FBADRM Cn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)[C@H]3COC(C)(C)C3)CC2=O)cn1 ZINC000529108943 484486493 /nfs/dbraw/zinc/48/64/93/484486493.db2.gz XJIAZIAXEDGFNX-ZYHUDNBSSA-N -1 0 370.431 -0.214 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)CCN2CCCS2(=O)=O)CO1 ZINC000529110735 484485992 /nfs/dbraw/zinc/48/59/92/484485992.db2.gz PNWZGVIOFKIBHA-JTQLQIEISA-N -1 0 354.450 -0.575 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)CCN2CCCS2(=O)=O)CO1 ZINC000529110737 484486446 /nfs/dbraw/zinc/48/64/46/484486446.db2.gz PNWZGVIOFKIBHA-SNVBAGLBSA-N -1 0 354.450 -0.575 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)[C@H]2CCCCN2S(C)(=O)=O)CO1 ZINC000529110960 484485661 /nfs/dbraw/zinc/48/56/61/484485661.db2.gz WZURAXAQWPFEPZ-GHMZBOCLSA-N -1 0 368.477 -0.186 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CO1 ZINC000529110961 484486401 /nfs/dbraw/zinc/48/64/01/484486401.db2.gz WZURAXAQWPFEPZ-MNOVXSKESA-N -1 0 368.477 -0.186 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CO1 ZINC000529110962 484486414 /nfs/dbraw/zinc/48/64/14/484486414.db2.gz WZURAXAQWPFEPZ-QWRGUYRKSA-N -1 0 368.477 -0.186 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)[C@H]2CCCCN2S(C)(=O)=O)CO1 ZINC000529110963 484486331 /nfs/dbraw/zinc/48/63/31/484486331.db2.gz WZURAXAQWPFEPZ-WDEREUQCSA-N -1 0 368.477 -0.186 20 0 FBADRM CC1(Cn2cc(C(=O)[N-]S(=O)(=O)[C@@H]3COC(C)(C)C3)nn2)COC1 ZINC000529115199 484485797 /nfs/dbraw/zinc/48/57/97/484485797.db2.gz YNZITKLEBXCSIM-JTQLQIEISA-N -1 0 358.420 -0.058 20 0 FBADRM CC1(Cn2cc(C(=O)[N-]S(=O)(=O)[C@H]3COC(C)(C)C3)nn2)COC1 ZINC000529115200 484486019 /nfs/dbraw/zinc/48/60/19/484486019.db2.gz YNZITKLEBXCSIM-SNVBAGLBSA-N -1 0 358.420 -0.058 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)C1 ZINC000529222328 484486390 /nfs/dbraw/zinc/48/63/90/484486390.db2.gz LUKGVPZNSUMQIE-NSHDSACASA-N -1 0 357.436 -0.112 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC000529294850 484487866 /nfs/dbraw/zinc/48/78/66/484487866.db2.gz WXHWUBSXHGJXHI-MNOVXSKESA-N -1 0 357.436 -0.112 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC000529294851 484487705 /nfs/dbraw/zinc/48/77/05/484487705.db2.gz WXHWUBSXHGJXHI-QWRGUYRKSA-N -1 0 357.436 -0.112 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1C[C@@H](CO)[C@H](CO)C1 ZINC000529690310 484497570 /nfs/dbraw/zinc/49/75/70/484497570.db2.gz BUBADOXEUNSHDI-UWVGGRQHSA-N -1 0 364.370 -0.698 20 0 FBADRM CC1(c2nc(=NC(=O)c3nc(N)nc(N4CCOCC4)n3)s[n-]2)CC1 ZINC000529696530 659899197 /nfs/dbraw/zinc/89/91/97/659899197.db2.gz ILNDYBRXPNLTIL-UHFFFAOYSA-N -1 0 362.419 -0.132 20 0 FBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000529698191 484497333 /nfs/dbraw/zinc/49/73/33/484497333.db2.gz UNAGSCLIMUAMTN-UHFFFAOYSA-N -1 0 369.428 -0.181 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N=c2nc(C3(C)CC3)[n-]s2)c1 ZINC000529699534 484497860 /nfs/dbraw/zinc/49/78/60/484497860.db2.gz QQTNVEJKAVELIJ-UHFFFAOYSA-N -1 0 356.433 -0.338 20 0 FBADRM CC1(c2nc(=NC(=O)CN3CCN(S(C)(=O)=O)CC3)s[n-]2)CC1 ZINC000529700275 484497525 /nfs/dbraw/zinc/49/75/25/484497525.db2.gz XKWNZZQPVAIJNK-UHFFFAOYSA-N -1 0 359.477 -0.473 20 0 FBADRM CC1(c2nc(=NC(=O)CCn3cc(S(N)(=O)=O)cn3)s[n-]2)CC1 ZINC000529702817 484497363 /nfs/dbraw/zinc/49/73/63/484497363.db2.gz ALOPAXLAFPFGQL-UHFFFAOYSA-N -1 0 356.433 -0.116 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N=c2nc(C3(C)CC3)[n-]s2)cn1C ZINC000529704572 484497457 /nfs/dbraw/zinc/49/74/57/484497457.db2.gz OEUDCUWOIMDUQV-UHFFFAOYSA-N -1 0 370.460 -0.030 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N=c2nc(C3(C)CC3)[n-]s2)cn1 ZINC000529704715 484497997 /nfs/dbraw/zinc/49/79/97/484497997.db2.gz RJQIIWRFUDGIDW-UHFFFAOYSA-N -1 0 356.433 -0.338 20 0 FBADRM CNC(=O)NC[C@@H]1CN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CCO1 ZINC000529732558 484498444 /nfs/dbraw/zinc/49/84/44/484498444.db2.gz BJQLRFSCFCDNGE-LLVKDONJSA-N -1 0 370.431 -0.172 20 0 FBADRM CNC(=O)NC[C@H]1CN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CCO1 ZINC000529732559 484498807 /nfs/dbraw/zinc/49/88/07/484498807.db2.gz BJQLRFSCFCDNGE-NSHDSACASA-N -1 0 370.431 -0.172 20 0 FBADRM CNC(=O)NC[C@@H]1CN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CCO1 ZINC000529743334 484501839 /nfs/dbraw/zinc/50/18/39/484501839.db2.gz UZBSCHJZHXGWOG-GFCCVEGCSA-N -1 0 361.358 -0.200 20 0 FBADRM CNC(=O)NC[C@H]1CN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CCO1 ZINC000529743335 484501994 /nfs/dbraw/zinc/50/19/94/484501994.db2.gz UZBSCHJZHXGWOG-LBPRGKRZSA-N -1 0 361.358 -0.200 20 0 FBADRM CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1c[n-]n2c1nccc2=O ZINC000529755164 484503652 /nfs/dbraw/zinc/50/36/52/484503652.db2.gz ZAKHXYRPYVJISO-KRWDZBQOSA-N -1 0 361.402 -0.632 20 0 FBADRM CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1c[n-]n2c1nccc2=O ZINC000529755165 484503682 /nfs/dbraw/zinc/50/36/82/484503682.db2.gz ZAKHXYRPYVJISO-QGZVFWFLSA-N -1 0 361.402 -0.632 20 0 FBADRM NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000529769279 484503790 /nfs/dbraw/zinc/50/37/90/484503790.db2.gz VOKPEVRDYUWIAA-KCJUWKMLSA-N -1 0 352.297 -0.083 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H](O)[C@@H]2CCCO2)c1 ZINC000529773000 484504272 /nfs/dbraw/zinc/50/42/72/484504272.db2.gz SLSSMHZMBABQAO-KBPBESRZSA-N -1 0 358.416 -0.088 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H](O)[C@@H]2CCCO2)c1 ZINC000529773002 484504366 /nfs/dbraw/zinc/50/43/66/484504366.db2.gz SLSSMHZMBABQAO-KGLIPLIRSA-N -1 0 358.416 -0.088 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H](O)[C@H]2CCCO2)c1 ZINC000529773003 484504344 /nfs/dbraw/zinc/50/43/44/484504344.db2.gz SLSSMHZMBABQAO-UONOGXRCSA-N -1 0 358.416 -0.088 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H](O)[C@H]2CCCO2)c1 ZINC000529773005 484504297 /nfs/dbraw/zinc/50/42/97/484504297.db2.gz SLSSMHZMBABQAO-ZIAGYGMSSA-N -1 0 358.416 -0.088 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H]2Cc3ccccc3NC2=O)c1 ZINC000529948910 484508330 /nfs/dbraw/zinc/50/83/30/484508330.db2.gz PHNNAGWFWHYFGZ-GFCCVEGCSA-N -1 0 363.399 -0.622 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@H]2Cc3ccccc3NC2=O)c1 ZINC000529948911 484507966 /nfs/dbraw/zinc/50/79/66/484507966.db2.gz PHNNAGWFWHYFGZ-LBPRGKRZSA-N -1 0 363.399 -0.622 20 0 FBADRM Cn1nc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cnn(CC(N)=O)c1 ZINC000530133892 484509977 /nfs/dbraw/zinc/50/99/77/484509977.db2.gz KCRKCSXCBOWGDH-UHFFFAOYSA-N -1 0 352.298 -0.079 20 0 FBADRM Cn1nc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1 ZINC000530134227 484510112 /nfs/dbraw/zinc/51/01/12/484510112.db2.gz OTLPAKFPVFBJCL-UHFFFAOYSA-N -1 0 352.298 -0.079 20 0 FBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2)C(=O)[O-] ZINC000530136924 484510137 /nfs/dbraw/zinc/51/01/37/484510137.db2.gz LIYFXRVFUZWSCI-OQPBUACISA-N -1 0 354.384 -0.366 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2)C(=O)[O-] ZINC000530137307 484510252 /nfs/dbraw/zinc/51/02/52/484510252.db2.gz MIHVHWRFWNWIJG-GFCCVEGCSA-N -1 0 354.384 -0.100 20 0 FBADRM COC[C@H](NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2)C(=O)[O-] ZINC000530137310 484509890 /nfs/dbraw/zinc/50/98/90/484509890.db2.gz MIHVHWRFWNWIJG-LBPRGKRZSA-N -1 0 354.384 -0.100 20 0 FBADRM Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000530137350 484510337 /nfs/dbraw/zinc/51/03/37/484510337.db2.gz NKGWNNSTVXEAQN-UHFFFAOYSA-N -1 0 368.297 -0.407 20 0 FBADRM CC(=O)N1CCc2cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c(Cl)cc21 ZINC000530137379 484510125 /nfs/dbraw/zinc/51/01/25/484510125.db2.gz OMWFMMNDDCCCCT-NSHDSACASA-N -1 0 362.791 -0.027 20 0 FBADRM O=C([O-])CN(CCO)S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000530137417 484509836 /nfs/dbraw/zinc/50/98/36/484509836.db2.gz DBNMUEOCVFJDOX-UHFFFAOYSA-N -1 0 354.384 -0.411 20 0 FBADRM C[C@H](O)[C@@H](NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2)C(=O)[O-] ZINC000530138185 484510100 /nfs/dbraw/zinc/51/01/00/484510100.db2.gz LIYFXRVFUZWSCI-ISVAXAHUSA-N -1 0 354.384 -0.366 20 0 FBADRM C[C@H](O)[C@H](NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2)C(=O)[O-] ZINC000530138186 484510217 /nfs/dbraw/zinc/51/02/17/484510217.db2.gz LIYFXRVFUZWSCI-SDBXPKJASA-N -1 0 354.384 -0.366 20 0 FBADRM CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c(Cl)cc21 ZINC000530138469 484510082 /nfs/dbraw/zinc/51/00/82/484510082.db2.gz XQMXCUYEVWUSEY-JTQLQIEISA-N -1 0 362.791 -0.027 20 0 FBADRM CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c(Cl)cc21 ZINC000530138470 484511080 /nfs/dbraw/zinc/51/10/80/484511080.db2.gz XQMXCUYEVWUSEY-SNVBAGLBSA-N -1 0 362.791 -0.027 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)CCO1 ZINC000530139194 484511480 /nfs/dbraw/zinc/51/14/80/484511480.db2.gz WHSHTRQKSATFGM-CYBMUJFWSA-N -1 0 366.395 -0.004 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)CCO1 ZINC000530139195 484510740 /nfs/dbraw/zinc/51/07/40/484510740.db2.gz WHSHTRQKSATFGM-ZDUSSCGKSA-N -1 0 366.395 -0.004 20 0 FBADRM Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000530139304 484511069 /nfs/dbraw/zinc/51/10/69/484511069.db2.gz XYNHOZRBGZXHJF-UHFFFAOYSA-N -1 0 368.297 -0.293 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2)C(=O)[O-] ZINC000530139689 484511114 /nfs/dbraw/zinc/51/11/14/484511114.db2.gz MNKZIPHOVOKSPI-GFCCVEGCSA-N -1 0 354.384 -0.100 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2)C(=O)[O-] ZINC000530139690 484510884 /nfs/dbraw/zinc/51/08/84/484510884.db2.gz MNKZIPHOVOKSPI-LBPRGKRZSA-N -1 0 354.384 -0.100 20 0 FBADRM CC(C)(C(=O)[O-])N1CCN(S(=O)(=O)CCCS(C)(=O)=O)CC1 ZINC000530140687 484510930 /nfs/dbraw/zinc/51/09/30/484510930.db2.gz JOIJKXOGTBGEOX-UHFFFAOYSA-N -1 0 356.466 -0.768 20 0 FBADRM CC(=O)N1CCc2cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c(Cl)cc21 ZINC000530140726 484511109 /nfs/dbraw/zinc/51/11/09/484511109.db2.gz OMWFMMNDDCCCCT-LLVKDONJSA-N -1 0 362.791 -0.027 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCc3occc3[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000530140752 484510907 /nfs/dbraw/zinc/51/09/07/484510907.db2.gz PEBWUFUGUYAXRC-LLVKDONJSA-N -1 0 369.355 -0.950 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCc3occc3[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000530140758 484511001 /nfs/dbraw/zinc/51/10/01/484511001.db2.gz PEBWUFUGUYAXRC-NSHDSACASA-N -1 0 369.355 -0.950 20 0 FBADRM COCCn1cc(S(=O)(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cn1 ZINC000530141358 484511121 /nfs/dbraw/zinc/51/11/21/484511121.db2.gz UCFSQHUCWXRJHL-UHFFFAOYSA-N -1 0 360.436 -0.301 20 0 FBADRM CC(C)(C(=O)[O-])N1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1 ZINC000530142223 484510713 /nfs/dbraw/zinc/51/07/13/484510713.db2.gz BKXZRDAVTLZFFT-UHFFFAOYSA-N -1 0 368.477 -0.626 20 0 FBADRM CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000530142658 484511465 /nfs/dbraw/zinc/51/14/65/484511465.db2.gz IOIFSABWNZIIDR-TXEJJXNPSA-N -1 0 368.477 -0.217 20 0 FBADRM CC(C)(C(=O)[O-])N1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000530142661 484511330 /nfs/dbraw/zinc/51/13/30/484511330.db2.gz KASQPRTZNAITHN-UHFFFAOYSA-N -1 0 355.416 -0.045 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cn1C ZINC000530142831 484511443 /nfs/dbraw/zinc/51/14/43/484511443.db2.gz MALGBUNQBSPAEO-UHFFFAOYSA-N -1 0 372.447 -0.446 20 0 FBADRM CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000530143229 484510749 /nfs/dbraw/zinc/51/07/49/484510749.db2.gz QMGYLSCNAZBUNE-OCAPTIKFSA-N -1 0 368.371 -0.482 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cc1C(N)=O ZINC000530143428 484511036 /nfs/dbraw/zinc/51/10/36/484511036.db2.gz VXRMEIINIDSCDS-UHFFFAOYSA-N -1 0 358.420 -0.707 20 0 FBADRM CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000530144246 484511144 /nfs/dbraw/zinc/51/11/44/484511144.db2.gz ZLMRPOXNFYIPFH-OCAPTIKFSA-N -1 0 353.356 -0.300 20 0 FBADRM CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C(=O)[O-])cnn1C ZINC000530147432 484510975 /nfs/dbraw/zinc/51/09/75/484510975.db2.gz AUXBUPOLGWCVKV-SECBINFHSA-N -1 0 365.433 -0.294 20 0 FBADRM CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C(=O)[O-])cnn1C ZINC000530147433 484511365 /nfs/dbraw/zinc/51/13/65/484511365.db2.gz AUXBUPOLGWCVKV-VIFPVBQESA-N -1 0 365.433 -0.294 20 0 FBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000530148019 484511437 /nfs/dbraw/zinc/51/14/37/484511437.db2.gz VMXTZTPLABGBSL-UHFFFAOYSA-N -1 0 352.376 -0.581 20 0 FBADRM Cn1cc([C@@H]2OCC[C@H]2NS(=O)(=O)c2c(C(=O)[O-])cnn2C)cn1 ZINC000530148095 484510806 /nfs/dbraw/zinc/51/08/06/484510806.db2.gz AMOPRTYOZKNDIC-MNOVXSKESA-N -1 0 355.376 -0.340 20 0 FBADRM CCN(CC)C(=O)N1CCN(S(=O)(=O)c2c(C(=O)[O-])cnn2C)CC1 ZINC000530148245 484511134 /nfs/dbraw/zinc/51/11/34/484511134.db2.gz AJEIUYLGKQUWEN-UHFFFAOYSA-N -1 0 373.435 -0.114 20 0 FBADRM Cn1cc([C@]2(C)CN(S(=O)(=O)c3c(C(=O)[O-])cnn3C)CCO2)cn1 ZINC000530148324 484511006 /nfs/dbraw/zinc/51/10/06/484511006.db2.gz DWZXUIMOERKMKK-AWEZNQCLSA-N -1 0 369.403 -0.212 20 0 FBADRM Cn1cc([C@@]2(C)CN(S(=O)(=O)c3c(C(=O)[O-])cnn3C)CCO2)cn1 ZINC000530148326 484511101 /nfs/dbraw/zinc/51/11/01/484511101.db2.gz DWZXUIMOERKMKK-CQSZACIVSA-N -1 0 369.403 -0.212 20 0 FBADRM CCc1nn(C)c(OC)c1CNS(=O)(=O)c1c(C(=O)[O-])cnn1C ZINC000530148584 484511056 /nfs/dbraw/zinc/51/10/56/484511056.db2.gz HTOTZUJOQOCCCS-UHFFFAOYSA-N -1 0 357.392 -0.099 20 0 FBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccccc2S(C)(=O)=O)C1 ZINC000530148872 484510962 /nfs/dbraw/zinc/51/09/62/484510962.db2.gz BBMLRPWQFNIWRO-CYBMUJFWSA-N -1 0 363.413 -0.046 20 0 FBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccccc2S(C)(=O)=O)C1 ZINC000530148873 484510983 /nfs/dbraw/zinc/51/09/83/484510983.db2.gz BBMLRPWQFNIWRO-ZDUSSCGKSA-N -1 0 363.413 -0.046 20 0 FBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000530148874 484510781 /nfs/dbraw/zinc/51/07/81/484510781.db2.gz BCAXWNJPEWSYOG-GFCCVEGCSA-N -1 0 364.401 -0.802 20 0 FBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000530148875 484511212 /nfs/dbraw/zinc/51/12/12/484511212.db2.gz BCAXWNJPEWSYOG-LBPRGKRZSA-N -1 0 364.401 -0.802 20 0 FBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C1 ZINC000530149352 484510892 /nfs/dbraw/zinc/51/08/92/484510892.db2.gz BGMAKICCJHTBAN-GFCCVEGCSA-N -1 0 357.450 -0.295 20 0 FBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C1 ZINC000530149354 484511232 /nfs/dbraw/zinc/51/12/32/484511232.db2.gz BGMAKICCJHTBAN-LBPRGKRZSA-N -1 0 357.450 -0.295 20 0 FBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000530149409 484511326 /nfs/dbraw/zinc/51/13/26/484511326.db2.gz BSPJCWGAGHOTCX-CYBMUJFWSA-N -1 0 353.360 -0.474 20 0 FBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000530149414 484511428 /nfs/dbraw/zinc/51/14/28/484511428.db2.gz BSPJCWGAGHOTCX-ZDUSSCGKSA-N -1 0 353.360 -0.474 20 0 FBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000530149804 484511164 /nfs/dbraw/zinc/51/11/64/484511164.db2.gz ONNUYASVMOFZTC-JTQLQIEISA-N -1 0 366.403 -0.144 20 0 FBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000530149805 484511396 /nfs/dbraw/zinc/51/13/96/484511396.db2.gz ONNUYASVMOFZTC-SNVBAGLBSA-N -1 0 366.403 -0.144 20 0 FBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000530149859 484511368 /nfs/dbraw/zinc/51/13/68/484511368.db2.gz COUATLPAPDTXFD-CYBMUJFWSA-N -1 0 353.360 -0.474 20 0 FBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000530149860 484511319 /nfs/dbraw/zinc/51/13/19/484511319.db2.gz COUATLPAPDTXFD-ZDUSSCGKSA-N -1 0 353.360 -0.474 20 0 FBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000530149971 484511179 /nfs/dbraw/zinc/51/11/79/484511179.db2.gz JVPYYFREAXALGV-CYBMUJFWSA-N -1 0 363.413 -0.046 20 0 FBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000530149974 484510817 /nfs/dbraw/zinc/51/08/17/484510817.db2.gz JVPYYFREAXALGV-ZDUSSCGKSA-N -1 0 363.413 -0.046 20 0 FBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 ZINC000530150031 484510913 /nfs/dbraw/zinc/51/09/13/484510913.db2.gz LEYOCRPJSGRMTJ-GFCCVEGCSA-N -1 0 364.401 -0.802 20 0 FBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 ZINC000530150032 484511049 /nfs/dbraw/zinc/51/10/49/484511049.db2.gz LEYOCRPJSGRMTJ-LBPRGKRZSA-N -1 0 364.401 -0.802 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C[C@@H](C(=O)[O-])O1 ZINC000530150063 484511263 /nfs/dbraw/zinc/51/12/63/484511263.db2.gz FGLWIJLFLNFGGX-SKDRFNHKSA-N -1 0 363.413 -0.047 20 0 FBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)N1CCN(c2cccnn2)CC1 ZINC000530150434 484510862 /nfs/dbraw/zinc/51/08/62/484510862.db2.gz UAOKPOIIFAUZHC-UHFFFAOYSA-N -1 0 352.376 -0.581 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)C[C@@H](C(=O)[O-])O1 ZINC000530150723 484510790 /nfs/dbraw/zinc/51/07/90/484510790.db2.gz JJWNEAJLXIJXHZ-SKDRFNHKSA-N -1 0 363.413 -0.047 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C[C@@H](C(=O)[O-])O1 ZINC000530150801 484511379 /nfs/dbraw/zinc/51/13/79/484511379.db2.gz LBIJTZPVLFVZGD-KCJUWKMLSA-N -1 0 364.401 -0.803 20 0 FBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)N1CCN(c2cnccn2)CC1 ZINC000530150991 484511449 /nfs/dbraw/zinc/51/14/49/484511449.db2.gz WKCTXNHCEYQARV-UHFFFAOYSA-N -1 0 352.376 -0.581 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC000530151251 484511270 /nfs/dbraw/zinc/51/12/70/484511270.db2.gz RFJXDGDEDACZEL-ZJUUUORDSA-N -1 0 357.450 -0.297 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C[C@@H](C(=O)[O-])O1 ZINC000530151315 484511357 /nfs/dbraw/zinc/51/13/57/484511357.db2.gz SGRIEEDOROTYLF-SKDRFNHKSA-N -1 0 353.360 -0.475 20 0 FBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)N1CCOCC2(CCOCC2)C1 ZINC000530151361 484511023 /nfs/dbraw/zinc/51/10/23/484511023.db2.gz ZAXOIXHHFJJRTG-UHFFFAOYSA-N -1 0 359.404 -0.064 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2ccccc2S(C)(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC000530151729 484510919 /nfs/dbraw/zinc/51/09/19/484510919.db2.gz PHEZNJABZLLKNH-ZJUUUORDSA-N -1 0 363.413 -0.047 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)C[C@@H](C(=O)[O-])O1 ZINC000530152011 484511340 /nfs/dbraw/zinc/51/13/40/484511340.db2.gz VJMUILQKQITBTD-SKDRFNHKSA-N -1 0 367.387 -0.260 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C[C@@H](C(=O)[O-])O1 ZINC000530152288 484511094 /nfs/dbraw/zinc/51/10/94/484511094.db2.gz QHDNHVMHTMDUQL-KCJUWKMLSA-N -1 0 364.401 -0.803 20 0 FBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC000530152690 484511426 /nfs/dbraw/zinc/51/14/26/484511426.db2.gz YHEWAIKQQFXJPK-CYBMUJFWSA-N -1 0 363.413 -0.046 20 0 FBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC000530152694 484511303 /nfs/dbraw/zinc/51/13/03/484511303.db2.gz YHEWAIKQQFXJPK-ZDUSSCGKSA-N -1 0 363.413 -0.046 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)C[C@@H](C(=O)[O-])O1 ZINC000530152765 484511227 /nfs/dbraw/zinc/51/12/27/484511227.db2.gz YTHLJWCIMYXDTO-SKDRFNHKSA-N -1 0 353.360 -0.475 20 0 FBADRM C[C@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)c1c(C(=O)[O-])cnn1C ZINC000530152989 484511162 /nfs/dbraw/zinc/51/11/62/484511162.db2.gz GXEXELPAYCOFQP-MRVPVSSYSA-N -1 0 365.433 -0.296 20 0 FBADRM C[C@@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)c1c(C(=O)[O-])cnn1C ZINC000530152991 484510773 /nfs/dbraw/zinc/51/07/73/484510773.db2.gz GXEXELPAYCOFQP-QMMMGPOBSA-N -1 0 365.433 -0.296 20 0 FBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)C1 ZINC000530154085 484511375 /nfs/dbraw/zinc/51/13/75/484511375.db2.gz RVYMRXPFGRLAAY-AWEZNQCLSA-N -1 0 367.387 -0.259 20 0 FBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)C1 ZINC000530154086 484511237 /nfs/dbraw/zinc/51/12/37/484511237.db2.gz RVYMRXPFGRLAAY-CQSZACIVSA-N -1 0 367.387 -0.259 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c[nH]1 ZINC000530154416 484510874 /nfs/dbraw/zinc/51/08/74/484510874.db2.gz SQWWEVALFWDOLF-UHFFFAOYSA-N -1 0 363.417 -0.489 20 0 FBADRM Cn1cc([C@H]2CN(S(=O)(=O)c3c(C(=O)[O-])cnn3C)CCO2)cn1 ZINC000530154823 484510801 /nfs/dbraw/zinc/51/08/01/484510801.db2.gz POMMFARDXRASMY-LLVKDONJSA-N -1 0 355.376 -0.386 20 0 FBADRM Cn1cc([C@@H]2CN(S(=O)(=O)c3c(C(=O)[O-])cnn3C)CCO2)cn1 ZINC000530154824 484511434 /nfs/dbraw/zinc/51/14/34/484511434.db2.gz POMMFARDXRASMY-NSHDSACASA-N -1 0 355.376 -0.386 20 0 FBADRM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)c1c(C(=O)[O-])cnn1C ZINC000530154839 484510869 /nfs/dbraw/zinc/51/08/69/484510869.db2.gz PXHDUMUKYDOHDB-MRVPVSSYSA-N -1 0 353.422 -0.438 20 0 FBADRM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1c(C(=O)[O-])cnn1C ZINC000530154840 484511031 /nfs/dbraw/zinc/51/10/31/484511031.db2.gz PXHDUMUKYDOHDB-QMMMGPOBSA-N -1 0 353.422 -0.438 20 0 FBADRM O=C([O-])c1coc(S(=O)(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000530154905 484510968 /nfs/dbraw/zinc/51/09/68/484510968.db2.gz XOPYESMPARDMKV-UHFFFAOYSA-N -1 0 364.401 -0.224 20 0 FBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1c(C(=O)[O-])cnn1C ZINC000530155739 484510899 /nfs/dbraw/zinc/51/08/99/484510899.db2.gz XIASJCZYFJMFFG-HTQZYQBOSA-N -1 0 353.422 -0.440 20 0 FBADRM C[C@H]([C@H](C)N(C)S(=O)(=O)c1c(C(=O)[O-])cnn1C)S(C)(=O)=O ZINC000530155751 484511392 /nfs/dbraw/zinc/51/13/92/484511392.db2.gz XIASJCZYFJMFFG-JGVFFNPUSA-N -1 0 353.422 -0.440 20 0 FBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1c(C(=O)[O-])cnn1C ZINC000530155753 484511198 /nfs/dbraw/zinc/51/11/98/484511198.db2.gz XIASJCZYFJMFFG-SFYZADRCSA-N -1 0 353.422 -0.440 20 0 FBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1c(C(=O)[O-])cnn1C ZINC000530155754 484510824 /nfs/dbraw/zinc/51/08/24/484510824.db2.gz XIASJCZYFJMFFG-YUMQZZPRSA-N -1 0 353.422 -0.440 20 0 FBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000530155808 484511019 /nfs/dbraw/zinc/51/10/19/484511019.db2.gz YCJCEZOCMAZLJU-BDAKNGLRSA-N -1 0 365.433 -0.248 20 0 FBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000530155821 484511087 /nfs/dbraw/zinc/51/10/87/484511087.db2.gz YCJCEZOCMAZLJU-DTWKUNHWSA-N -1 0 365.433 -0.248 20 0 FBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000530155822 484511389 /nfs/dbraw/zinc/51/13/89/484511389.db2.gz YCJCEZOCMAZLJU-IUCAKERBSA-N -1 0 365.433 -0.248 20 0 FBADRM Cn1ncc(C(=O)[O-])c1S(=O)(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000530155823 484511013 /nfs/dbraw/zinc/51/10/13/484511013.db2.gz YCJCEZOCMAZLJU-RKDXNWHRSA-N -1 0 365.433 -0.248 20 0 FBADRM Cn1cc(S(=O)(=O)NCCN2CCc3occc3[C@@H]2C(=O)[O-])cn1 ZINC000530167422 484511403 /nfs/dbraw/zinc/51/14/03/484511403.db2.gz WRRFDYPAFNOLQA-CYBMUJFWSA-N -1 0 354.388 -0.025 20 0 FBADRM Cn1cc(S(=O)(=O)NCCN2CCc3occc3[C@H]2C(=O)[O-])cn1 ZINC000530167425 484511470 /nfs/dbraw/zinc/51/14/70/484511470.db2.gz WRRFDYPAFNOLQA-ZDUSSCGKSA-N -1 0 354.388 -0.025 20 0 FBADRM CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC[C@]2(C)C(=O)[O-])CC1 ZINC000530205014 484511344 /nfs/dbraw/zinc/51/13/44/484511344.db2.gz BDKBWLHDKVXHEO-GOSISDBHSA-N -1 0 368.478 -0.016 20 0 FBADRM CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC[C@@]2(C)C(=O)[O-])CC1 ZINC000530205015 484510943 /nfs/dbraw/zinc/51/09/43/484510943.db2.gz BDKBWLHDKVXHEO-SFHVURJKSA-N -1 0 368.478 -0.016 20 0 FBADRM C[C@@]1(C(=O)[O-])CCCN1CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000530206806 484200340 /nfs/dbraw/zinc/20/03/40/484200340.db2.gz NRMWLGJAHZVQIA-BBRMVZONSA-N -1 0 373.475 -0.743 20 0 FBADRM C[C@@]1(C(=O)[O-])CCCN1CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000530206816 484199283 /nfs/dbraw/zinc/19/92/83/484199283.db2.gz NRMWLGJAHZVQIA-CJNGLKHVSA-N -1 0 373.475 -0.743 20 0 FBADRM C[C@]1(C(=O)[O-])CCCN1CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000530206818 484200436 /nfs/dbraw/zinc/20/04/36/484200436.db2.gz NRMWLGJAHZVQIA-CZUORRHYSA-N -1 0 373.475 -0.743 20 0 FBADRM C[C@]1(C(=O)[O-])CCCN1CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000530206819 484199166 /nfs/dbraw/zinc/19/91/66/484199166.db2.gz NRMWLGJAHZVQIA-XJKSGUPXSA-N -1 0 373.475 -0.743 20 0 FBADRM C[C@@]1(C(=O)[O-])CCCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000530207818 484511454 /nfs/dbraw/zinc/51/14/54/484511454.db2.gz RKWTUGJKMZYZEV-INIZCTEOSA-N -1 0 369.443 -0.068 20 0 FBADRM C[C@]1(C(=O)[O-])CCCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000530207819 484511186 /nfs/dbraw/zinc/51/11/86/484511186.db2.gz RKWTUGJKMZYZEV-MRXNPFEDSA-N -1 0 369.443 -0.068 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CCC[C@@]2(C)C(=O)[O-])c(=O)n(C)c1=O ZINC000530208342 484511252 /nfs/dbraw/zinc/51/12/52/484511252.db2.gz RYJSODTUUCDKKI-KRWDZBQOSA-N -1 0 366.418 -0.093 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CCC[C@]2(C)C(=O)[O-])c(=O)n(C)c1=O ZINC000530208347 484511292 /nfs/dbraw/zinc/51/12/92/484511292.db2.gz RYJSODTUUCDKKI-QGZVFWFLSA-N -1 0 366.418 -0.093 20 0 FBADRM CNC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CCO1 ZINC000530271728 484511820 /nfs/dbraw/zinc/51/18/20/484511820.db2.gz ARBCRGZQEDCXMB-GFCCVEGCSA-N -1 0 361.358 -0.200 20 0 FBADRM CNC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CCO1 ZINC000530271729 484512281 /nfs/dbraw/zinc/51/22/81/484512281.db2.gz ARBCRGZQEDCXMB-LBPRGKRZSA-N -1 0 361.358 -0.200 20 0 FBADRM CSc1nc(=O)n(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)[n-]1 ZINC000530282098 484514447 /nfs/dbraw/zinc/51/44/47/484514447.db2.gz DBPOTOYPEUCRSJ-UHFFFAOYSA-N -1 0 370.479 -0.648 20 0 FBADRM CSc1nc(=O)n(CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)[n-]1 ZINC000530282735 484514294 /nfs/dbraw/zinc/51/42/94/484514294.db2.gz ZVBOKWZQRIEDMC-JTQLQIEISA-N -1 0 362.477 -0.035 20 0 FBADRM CSc1nc(=O)n(CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)[n-]1 ZINC000530282737 484514469 /nfs/dbraw/zinc/51/44/69/484514469.db2.gz ZVBOKWZQRIEDMC-SNVBAGLBSA-N -1 0 362.477 -0.035 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(CC(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000530309098 484514808 /nfs/dbraw/zinc/51/48/08/484514808.db2.gz AOHXGJSPKUCMOI-UHFFFAOYSA-N -1 0 354.388 -0.485 20 0 FBADRM O=C(c1cc(N2CCNC(=O)C2)ccn1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000530337766 484515873 /nfs/dbraw/zinc/51/58/73/484515873.db2.gz CMRWGMRUCFZAIG-LLVKDONJSA-N -1 0 356.390 -0.449 20 0 FBADRM O=C(c1cc(N2CCNC(=O)C2)ccn1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000530337767 484515890 /nfs/dbraw/zinc/51/58/90/484515890.db2.gz CMRWGMRUCFZAIG-NSHDSACASA-N -1 0 356.390 -0.449 20 0 FBADRM C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000530339206 484515548 /nfs/dbraw/zinc/51/55/48/484515548.db2.gz LSQSGTXPMJDERI-AWEZNQCLSA-N -1 0 353.356 -0.156 20 0 FBADRM C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000530339209 484515859 /nfs/dbraw/zinc/51/58/59/484515859.db2.gz LSQSGTXPMJDERI-CQSZACIVSA-N -1 0 353.356 -0.156 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](C(=O)[O-])c1scnc1C ZINC000530339782 484516010 /nfs/dbraw/zinc/51/60/10/484516010.db2.gz UNEABHPOBCBGTL-SECBINFHSA-N -1 0 351.406 -0.093 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](C(=O)[O-])c1scnc1C ZINC000530339783 484515449 /nfs/dbraw/zinc/51/54/49/484515449.db2.gz UNEABHPOBCBGTL-VIFPVBQESA-N -1 0 351.406 -0.093 20 0 FBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000530367238 484516565 /nfs/dbraw/zinc/51/65/65/484516565.db2.gz IRSYBNGKBOHRHW-SECBINFHSA-N -1 0 366.417 -0.669 20 0 FBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000530367239 484516849 /nfs/dbraw/zinc/51/68/49/484516849.db2.gz IRSYBNGKBOHRHW-VIFPVBQESA-N -1 0 366.417 -0.669 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000530368036 484516864 /nfs/dbraw/zinc/51/68/64/484516864.db2.gz FAWHNNJAZOZZSV-UHFFFAOYSA-N -1 0 352.390 -0.793 20 0 FBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000530368320 484516916 /nfs/dbraw/zinc/51/69/16/484516916.db2.gz NAUNEGAMPZLMOT-SECBINFHSA-N -1 0 352.390 -0.795 20 0 FBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000530368321 484516560 /nfs/dbraw/zinc/51/65/60/484516560.db2.gz NAUNEGAMPZLMOT-VIFPVBQESA-N -1 0 352.390 -0.795 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cc1C ZINC000530372289 484517114 /nfs/dbraw/zinc/51/71/14/484517114.db2.gz IPGJNAMCJUHSIW-SNVBAGLBSA-N -1 0 366.417 -0.983 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)CC(=O)[O-] ZINC000530382604 484517014 /nfs/dbraw/zinc/51/70/14/484517014.db2.gz WUJLJJUYPWTKNJ-MRVPVSSYSA-N -1 0 352.390 -0.898 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)CC(=O)[O-] ZINC000530382605 484516925 /nfs/dbraw/zinc/51/69/25/484516925.db2.gz WUJLJJUYPWTKNJ-QMMMGPOBSA-N -1 0 352.390 -0.898 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2)CC(=O)[O-] ZINC000530382809 484517037 /nfs/dbraw/zinc/51/70/37/484517037.db2.gz DEVFFKLACYVAQQ-JTQLQIEISA-N -1 0 363.413 -0.216 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2)CC(=O)[O-] ZINC000530382812 484516966 /nfs/dbraw/zinc/51/69/66/484516966.db2.gz DEVFFKLACYVAQQ-SNVBAGLBSA-N -1 0 363.413 -0.216 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2C)cn1C ZINC000530383073 484516446 /nfs/dbraw/zinc/51/64/46/484516446.db2.gz LZQPJYHSSRCZSY-GFCCVEGCSA-N -1 0 369.403 -0.469 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2C)cn1C ZINC000530383074 484516632 /nfs/dbraw/zinc/51/66/32/484516632.db2.gz LZQPJYHSSRCZSY-LBPRGKRZSA-N -1 0 369.403 -0.469 20 0 FBADRM COCCn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2C)cn1 ZINC000530383099 484516753 /nfs/dbraw/zinc/51/67/53/484516753.db2.gz MKWKKQUUHNMKCK-GFCCVEGCSA-N -1 0 357.392 -0.324 20 0 FBADRM COCCn1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2C)cn1 ZINC000530383100 484517079 /nfs/dbraw/zinc/51/70/79/484517079.db2.gz MKWKKQUUHNMKCK-LBPRGKRZSA-N -1 0 357.392 -0.324 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1C ZINC000530383200 484517018 /nfs/dbraw/zinc/51/70/18/484517018.db2.gz QXOIIKJVXUKLHS-GFCCVEGCSA-N -1 0 364.424 -0.717 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1C ZINC000530383204 484516522 /nfs/dbraw/zinc/51/65/22/484516522.db2.gz QXOIIKJVXUKLHS-LBPRGKRZSA-N -1 0 364.424 -0.717 20 0 FBADRM Cc1c([C@@H](NS(=O)(=O)c2ccc(C(N)=O)cc2)C(=O)[O-])cnn1C ZINC000530383228 484517095 /nfs/dbraw/zinc/51/70/95/484517095.db2.gz SACKDNMZCIDAAE-GFCCVEGCSA-N -1 0 352.372 -0.068 20 0 FBADRM Cc1c([C@H](NS(=O)(=O)c2ccc(C(N)=O)cc2)C(=O)[O-])cnn1C ZINC000530383232 484517119 /nfs/dbraw/zinc/51/71/19/484517119.db2.gz SACKDNMZCIDAAE-LBPRGKRZSA-N -1 0 352.372 -0.068 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)CC(=O)[O-] ZINC000530383414 484516756 /nfs/dbraw/zinc/51/67/56/484516756.db2.gz WHYJLQQWZLYKAI-SECBINFHSA-N -1 0 357.388 -0.355 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)CC(=O)[O-] ZINC000530383415 484516723 /nfs/dbraw/zinc/51/67/23/484516723.db2.gz WHYJLQQWZLYKAI-VIFPVBQESA-N -1 0 357.388 -0.355 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)CC(=O)[O-] ZINC000530383435 484517008 /nfs/dbraw/zinc/51/70/08/484517008.db2.gz YBWYIIFYJVUNMH-SECBINFHSA-N -1 0 351.402 -0.142 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)CC(=O)[O-] ZINC000530383436 484517042 /nfs/dbraw/zinc/51/70/42/484517042.db2.gz YBWYIIFYJVUNMH-VIFPVBQESA-N -1 0 351.402 -0.142 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H](CC2CCC2)C(=O)[O-])CC1 ZINC000530420056 484531569 /nfs/dbraw/zinc/53/15/69/484531569.db2.gz SSJSRJXHEOZOPX-LLVKDONJSA-N -1 0 369.465 -0.959 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H](CC2CCC2)C(=O)[O-])CC1 ZINC000530420058 484531898 /nfs/dbraw/zinc/53/18/98/484531898.db2.gz SSJSRJXHEOZOPX-NSHDSACASA-N -1 0 369.465 -0.959 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](OC)C(=O)[O-])cc1C ZINC000530420100 484518173 /nfs/dbraw/zinc/51/81/73/484518173.db2.gz WSSCSSJPCSDGLZ-JTQLQIEISA-N -1 0 366.417 -0.719 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])cc1C ZINC000530420101 484517690 /nfs/dbraw/zinc/51/76/90/484517690.db2.gz WSSCSSJPCSDGLZ-SNVBAGLBSA-N -1 0 366.417 -0.719 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC([C@@H](C)C(=O)[O-])C2)c1 ZINC000530420346 484531641 /nfs/dbraw/zinc/53/16/41/484531641.db2.gz DUDQDSZVBJFPER-SECBINFHSA-N -1 0 362.429 -0.064 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC([C@H](C)C(=O)[O-])C2)c1 ZINC000530420347 484531754 /nfs/dbraw/zinc/53/17/54/484531754.db2.gz DUDQDSZVBJFPER-VIFPVBQESA-N -1 0 362.429 -0.064 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)NCCSCC(=O)[O-])cn1 ZINC000530420917 484517372 /nfs/dbraw/zinc/51/73/72/484517372.db2.gz DODCTTZVXSYKAQ-UHFFFAOYSA-N -1 0 354.431 -0.419 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000530424411 484517804 /nfs/dbraw/zinc/51/78/04/484517804.db2.gz RGARIADKALOABP-GXSJLCMTSA-N -1 0 366.417 -0.622 20 0 FBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000530424412 484517766 /nfs/dbraw/zinc/51/77/66/484517766.db2.gz RGARIADKALOABP-KOLCDFICSA-N -1 0 366.417 -0.622 20 0 FBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000530424413 484517656 /nfs/dbraw/zinc/51/76/56/484517656.db2.gz RGARIADKALOABP-MWLCHTKSSA-N -1 0 366.417 -0.622 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000530424414 484518041 /nfs/dbraw/zinc/51/80/41/484518041.db2.gz RGARIADKALOABP-ONGXEEELSA-N -1 0 366.417 -0.622 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)cn1 ZINC000530424430 484518131 /nfs/dbraw/zinc/51/81/31/484518131.db2.gz URWAMCGAFBSRME-GZMMTYOYSA-N -1 0 364.401 -0.747 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)cn1 ZINC000530424431 484517716 /nfs/dbraw/zinc/51/77/16/484517716.db2.gz URWAMCGAFBSRME-KCJUWKMLSA-N -1 0 364.401 -0.747 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)cn1 ZINC000530424432 484517707 /nfs/dbraw/zinc/51/77/07/484517707.db2.gz URWAMCGAFBSRME-KWQFWETISA-N -1 0 364.401 -0.747 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)cn1 ZINC000530424433 484517814 /nfs/dbraw/zinc/51/78/14/484517814.db2.gz URWAMCGAFBSRME-LDYMZIIASA-N -1 0 364.401 -0.747 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)NCCOCC(=O)[O-])cc1C ZINC000530424438 484517390 /nfs/dbraw/zinc/51/73/90/484517390.db2.gz VGECVVATJWGBQL-UHFFFAOYSA-N -1 0 366.417 -0.717 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](C)C(=O)[O-])cc1C ZINC000530424577 484517513 /nfs/dbraw/zinc/51/75/13/484517513.db2.gz NLPJIXKBBKTOLY-SECBINFHSA-N -1 0 350.418 -0.098 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)C(=O)[O-])cc1C ZINC000530424578 484517818 /nfs/dbraw/zinc/51/78/18/484517818.db2.gz NLPJIXKBBKTOLY-VIFPVBQESA-N -1 0 350.418 -0.098 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](COC)C(=O)[O-])cc1C ZINC000530425047 484517384 /nfs/dbraw/zinc/51/73/84/484517384.db2.gz YPQOZFOOTARFQO-JTQLQIEISA-N -1 0 366.417 -0.719 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](COC)C(=O)[O-])cc1C ZINC000530425048 484518100 /nfs/dbraw/zinc/51/81/00/484518100.db2.gz YPQOZFOOTARFQO-SNVBAGLBSA-N -1 0 366.417 -0.719 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])OC)c1 ZINC000530435161 483400265 /nfs/dbraw/zinc/40/02/65/483400265.db2.gz YLJFTLAOAZDXHE-SECBINFHSA-N -1 0 366.417 -0.637 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H](CC(=O)[O-])OC)c1 ZINC000530435162 483400583 /nfs/dbraw/zinc/40/05/83/483400583.db2.gz YLJFTLAOAZDXHE-VIFPVBQESA-N -1 0 366.417 -0.637 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2C)c[nH]1 ZINC000530435229 483402105 /nfs/dbraw/zinc/40/21/05/483402105.db2.gz GHPUDYJNHMKGKM-LLVKDONJSA-N -1 0 356.360 -0.053 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2C)c[nH]1 ZINC000530435230 483401304 /nfs/dbraw/zinc/40/13/04/483401304.db2.gz GHPUDYJNHMKGKM-NSHDSACASA-N -1 0 356.360 -0.053 20 0 FBADRM Cc1c([C@@H](NS(=O)(=O)c2cc(C(N)=O)n(C)c2)C(=O)[O-])cnn1C ZINC000530435437 483402111 /nfs/dbraw/zinc/40/21/11/483402111.db2.gz FBJCQFIYSIQERG-LLVKDONJSA-N -1 0 355.376 -0.730 20 0 FBADRM Cc1c([C@H](NS(=O)(=O)c2cc(C(N)=O)n(C)c2)C(=O)[O-])cnn1C ZINC000530435438 483401723 /nfs/dbraw/zinc/40/17/23/483401723.db2.gz FBJCQFIYSIQERG-NSHDSACASA-N -1 0 355.376 -0.730 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2C)cn1 ZINC000530435527 483402050 /nfs/dbraw/zinc/40/20/50/483402050.db2.gz OFQYGLQRLSITFF-GFCCVEGCSA-N -1 0 371.375 -0.798 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2C)cn1 ZINC000530435528 483401516 /nfs/dbraw/zinc/40/15/16/483401516.db2.gz OFQYGLQRLSITFF-LBPRGKRZSA-N -1 0 371.375 -0.798 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)CC(=O)[O-] ZINC000530435782 483401542 /nfs/dbraw/zinc/40/15/42/483401542.db2.gz PFGXHIGKNGNPHX-SSDOTTSWSA-N -1 0 357.344 -0.191 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)CC(=O)[O-] ZINC000530435783 483402099 /nfs/dbraw/zinc/40/20/99/483402099.db2.gz PFGXHIGKNGNPHX-ZETCQYMHSA-N -1 0 357.344 -0.191 20 0 FBADRM CCN(CC(=O)[O-])S(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1 ZINC000530473137 483415190 /nfs/dbraw/zinc/41/51/90/483415190.db2.gz PSVPWLWDVAYDBZ-UHFFFAOYSA-N -1 0 350.418 -0.002 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cc1C ZINC000530473318 483414571 /nfs/dbraw/zinc/41/45/71/483414571.db2.gz VCQOXFOKQSJGNZ-JTQLQIEISA-N -1 0 366.417 -0.983 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cc1C ZINC000530476625 483415019 /nfs/dbraw/zinc/41/50/19/483415019.db2.gz IPGJNAMCJUHSIW-JTQLQIEISA-N -1 0 366.417 -0.983 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1C ZINC000530477048 483414921 /nfs/dbraw/zinc/41/49/21/483414921.db2.gz JMTGRUFTSDRPFA-KCJUWKMLSA-N -1 0 366.417 -0.985 20 0 FBADRM Cc1cc2c(cc1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1)OCO2 ZINC000530477207 483415091 /nfs/dbraw/zinc/41/50/91/483415091.db2.gz MUCYUSRVMMVQNC-UHFFFAOYSA-N -1 0 354.344 -0.122 20 0 FBADRM COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCC[C@H]1C(=O)OC)c1ccn(C)n1 ZINC000530478658 483416107 /nfs/dbraw/zinc/41/61/07/483416107.db2.gz ODKBNWURTAFONE-ADEWGFFLSA-N -1 0 359.404 -0.105 20 0 FBADRM COC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)OC)c1ccn(C)n1 ZINC000530478659 483416092 /nfs/dbraw/zinc/41/60/92/483416092.db2.gz ODKBNWURTAFONE-MVWJERBFSA-N -1 0 359.404 -0.105 20 0 FBADRM COC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CCC[C@H]1C(=O)OC)c1ccn(C)n1 ZINC000530478660 483416146 /nfs/dbraw/zinc/41/61/46/483416146.db2.gz ODKBNWURTAFONE-YUSALJHKSA-N -1 0 359.404 -0.105 20 0 FBADRM COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCC[C@@H]1C(=O)OC)c1ccn(C)n1 ZINC000530478661 483415994 /nfs/dbraw/zinc/41/59/94/483415994.db2.gz ODKBNWURTAFONE-ZMLRMANQSA-N -1 0 359.404 -0.105 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2C)cn1C ZINC000530487860 483416986 /nfs/dbraw/zinc/41/69/86/483416986.db2.gz BILUQECFPCPOHG-GFCCVEGCSA-N -1 0 370.387 -0.042 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2C)cn1C ZINC000530487861 483416726 /nfs/dbraw/zinc/41/67/26/483416726.db2.gz BILUQECFPCPOHG-LBPRGKRZSA-N -1 0 370.387 -0.042 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)CC(=O)[O-] ZINC000530488564 483416881 /nfs/dbraw/zinc/41/68/81/483416881.db2.gz MKPOVMHZCODLHY-MRVPVSSYSA-N -1 0 369.392 -0.003 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)CC(=O)[O-] ZINC000530488569 483416500 /nfs/dbraw/zinc/41/65/00/483416500.db2.gz MKPOVMHZCODLHY-QMMMGPOBSA-N -1 0 369.392 -0.003 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)CC(=O)[O-] ZINC000530488695 483417874 /nfs/dbraw/zinc/41/78/74/483417874.db2.gz PNRPNVSGUVXFQU-MRVPVSSYSA-N -1 0 356.356 -0.320 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)CC(=O)[O-] ZINC000530488696 483417866 /nfs/dbraw/zinc/41/78/66/483417866.db2.gz PNRPNVSGUVXFQU-QMMMGPOBSA-N -1 0 356.356 -0.320 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CN2CCCNC2=O)C1=O ZINC000530490024 483417729 /nfs/dbraw/zinc/41/77/29/483417729.db2.gz GXKYSUIDRKGYMR-DZGCQCFKSA-N -1 0 374.397 -0.055 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CN2CCCNC2=O)C1=O ZINC000530490025 483417891 /nfs/dbraw/zinc/41/78/91/483417891.db2.gz GXKYSUIDRKGYMR-HIFRSBDPSA-N -1 0 374.397 -0.055 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CN2CCCNC2=O)C1=O ZINC000530490026 483417860 /nfs/dbraw/zinc/41/78/60/483417860.db2.gz GXKYSUIDRKGYMR-UKRRQHHQSA-N -1 0 374.397 -0.055 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NC(=O)CN2CCCNC2=O)C1=O ZINC000530490027 483417973 /nfs/dbraw/zinc/41/79/73/483417973.db2.gz GXKYSUIDRKGYMR-ZFWWWQNUSA-N -1 0 374.397 -0.055 20 0 FBADRM Cc1cc2c(cc1S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O)OCO2 ZINC000530526029 483480684 /nfs/dbraw/zinc/48/06/84/483480684.db2.gz WVMFVEWCNMHYIN-JTQLQIEISA-N -1 0 370.383 -0.065 20 0 FBADRM Cc1cc2c(cc1S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O)OCO2 ZINC000530526030 483480065 /nfs/dbraw/zinc/48/00/65/483480065.db2.gz WVMFVEWCNMHYIN-SNVBAGLBSA-N -1 0 370.383 -0.065 20 0 FBADRM Cc1cc2c(cc1S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-])OCO2 ZINC000530526168 483480263 /nfs/dbraw/zinc/48/02/63/483480263.db2.gz ISGGEDIWHRMECO-AUADJRAKSA-N -1 0 361.397 -0.070 20 0 FBADRM Cc1cc2c(cc1S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-])OCO2 ZINC000530526169 483480014 /nfs/dbraw/zinc/48/00/14/483480014.db2.gz ISGGEDIWHRMECO-CLTRCRFRSA-N -1 0 361.397 -0.070 20 0 FBADRM Cc1cc2c(cc1S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-])OCO2 ZINC000530526170 483480345 /nfs/dbraw/zinc/48/03/45/483480345.db2.gz ISGGEDIWHRMECO-GTUYJWLHSA-N -1 0 361.397 -0.070 20 0 FBADRM Cc1cc2c(cc1S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-])OCO2 ZINC000530526171 483480832 /nfs/dbraw/zinc/48/08/32/483480832.db2.gz ISGGEDIWHRMECO-PVBMHHQDSA-N -1 0 361.397 -0.070 20 0 FBADRM COCCN(CCC(=O)[O-])S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000530526398 483480474 /nfs/dbraw/zinc/48/04/74/483480474.db2.gz LSTUZXHPQHOJLO-UHFFFAOYSA-N -1 0 366.417 -0.403 20 0 FBADRM Cn1cc([C@@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)C(=O)[O-])cn1 ZINC000530529960 483483478 /nfs/dbraw/zinc/48/34/78/483483478.db2.gz USOAFXCBELQXCV-LLVKDONJSA-N -1 0 374.400 -0.677 20 0 FBADRM Cn1cc([C@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)C(=O)[O-])cn1 ZINC000530529961 483482876 /nfs/dbraw/zinc/48/28/76/483482876.db2.gz USOAFXCBELQXCV-NSHDSACASA-N -1 0 374.400 -0.677 20 0 FBADRM Cc1c([C@@H](NS(=O)(=O)c2cccc(C(N)=O)c2)C(=O)[O-])cnn1C ZINC000530541194 483488270 /nfs/dbraw/zinc/48/82/70/483488270.db2.gz LHYFQRMGNWFERI-GFCCVEGCSA-N -1 0 352.372 -0.068 20 0 FBADRM Cc1c([C@H](NS(=O)(=O)c2cccc(C(N)=O)c2)C(=O)[O-])cnn1C ZINC000530541195 483490575 /nfs/dbraw/zinc/49/05/75/483490575.db2.gz LHYFQRMGNWFERI-LBPRGKRZSA-N -1 0 352.372 -0.068 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1cccc(-c2nnnn2C)c1)CC(=O)[O-] ZINC000530541415 483490510 /nfs/dbraw/zinc/49/05/10/483490510.db2.gz BVPCAOPTCOUKTR-JTQLQIEISA-N -1 0 355.376 -0.355 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1cccc(-c2nnnn2C)c1)CC(=O)[O-] ZINC000530541416 483490279 /nfs/dbraw/zinc/49/02/79/483490279.db2.gz BVPCAOPTCOUKTR-SNVBAGLBSA-N -1 0 355.376 -0.355 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2C)CC1 ZINC000530542296 483490172 /nfs/dbraw/zinc/49/01/72/483490172.db2.gz UMKRZRQVZVBPSA-GFCCVEGCSA-N -1 0 374.419 -0.426 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2C)CC1 ZINC000530542297 483489776 /nfs/dbraw/zinc/48/97/76/483489776.db2.gz UMKRZRQVZVBPSA-LBPRGKRZSA-N -1 0 374.419 -0.426 20 0 FBADRM CNC(=O)[C@@H](C)NC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O ZINC000530750995 483516592 /nfs/dbraw/zinc/51/65/92/483516592.db2.gz PXJMORJTMOIXMY-MRVPVSSYSA-N -1 0 356.404 -0.119 20 0 FBADRM CNC(=O)CN1CCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)CC1 ZINC000530775888 483525170 /nfs/dbraw/zinc/52/51/70/483525170.db2.gz UAQYNOMGRCZZGE-UHFFFAOYSA-N -1 0 360.374 -0.752 20 0 FBADRM Cc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000530810461 483536828 /nfs/dbraw/zinc/53/68/28/483536828.db2.gz QQIARWFRKWEQFM-UHFFFAOYSA-N -1 0 367.387 -0.538 20 0 FBADRM CN(CCN1CCCC1=O)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000530974235 483664775 /nfs/dbraw/zinc/66/47/75/483664775.db2.gz SDQZKTMFUMNLLG-UHFFFAOYSA-N -1 0 367.387 -0.321 20 0 FBADRM CCn1cnc(S(=O)(=O)[N-]c2cnn(CC(=O)N3CCOCC3)c2)c1 ZINC000530994649 659901357 /nfs/dbraw/zinc/90/13/57/659901357.db2.gz MKJQFEKTOFDZQB-UHFFFAOYSA-N -1 0 368.419 -0.241 20 0 FBADRM CCn1cnc(S(=O)(=O)[N-]c2ccn(CC(=O)N3CCOCC3)n2)c1 ZINC000530995226 659901335 /nfs/dbraw/zinc/90/13/35/659901335.db2.gz RQQWXBYSLFUEKM-UHFFFAOYSA-N -1 0 368.419 -0.241 20 0 FBADRM CSc1nc(=NC(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)s[n-]1 ZINC000530998992 659901298 /nfs/dbraw/zinc/90/12/98/659901298.db2.gz PHBZGRHRPURKFZ-UHFFFAOYSA-N -1 0 366.428 -0.177 20 0 FBADRM CCn1cnc(S(=O)(=O)[N-]c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 ZINC000531012347 483832801 /nfs/dbraw/zinc/83/28/01/483832801.db2.gz PXTIWLMBHVNAKM-UHFFFAOYSA-N -1 0 364.387 -0.351 20 0 FBADRM COC(=O)c1ccsc1N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]2)C1=O ZINC000531071971 483839069 /nfs/dbraw/zinc/83/90/69/483839069.db2.gz DKSCNXMMSNGYDY-SSDOTTSWSA-N -1 0 351.344 -0.106 20 0 FBADRM COC(=O)c1ccsc1N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]2)C1=O ZINC000531071972 483838913 /nfs/dbraw/zinc/83/89/13/483838913.db2.gz DKSCNXMMSNGYDY-ZETCQYMHSA-N -1 0 351.344 -0.106 20 0 FBADRM C[C@](O)(CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)CN1CCOCC1 ZINC000531124717 483918499 /nfs/dbraw/zinc/91/84/99/483918499.db2.gz LNXXPLYPFDKFMH-KRWDZBQOSA-N -1 0 362.386 -0.157 20 0 FBADRM C[C@@](O)(CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)CN1CCOCC1 ZINC000531124718 483918601 /nfs/dbraw/zinc/91/86/01/483918601.db2.gz LNXXPLYPFDKFMH-QGZVFWFLSA-N -1 0 362.386 -0.157 20 0 FBADRM CN(C)C(=O)C(C)(C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000531151483 484331843 /nfs/dbraw/zinc/33/18/43/484331843.db2.gz UKKKEZPJVFIYHX-UHFFFAOYSA-N -1 0 355.376 -0.419 20 0 FBADRM C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)c1cccc(S(N)(=O)=O)c1 ZINC000531200184 483581524 /nfs/dbraw/zinc/58/15/24/483581524.db2.gz IFPTXTYUCPPSPD-MRVPVSSYSA-N -1 0 352.372 -0.376 20 0 FBADRM C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)c1cccc(S(N)(=O)=O)c1 ZINC000531200185 483581835 /nfs/dbraw/zinc/58/18/35/483581835.db2.gz IFPTXTYUCPPSPD-QMMMGPOBSA-N -1 0 352.372 -0.376 20 0 FBADRM CNC(=O)[C@@H](C)NC(=O)c1cc([N-]S(C)(=O)=O)c(OC)c(OC)c1 ZINC000531227251 483673371 /nfs/dbraw/zinc/67/33/71/483673371.db2.gz AHSGIUXKLKSVTB-MRVPVSSYSA-N -1 0 359.404 -0.060 20 0 FBADRM Cc1cc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000531294888 483698905 /nfs/dbraw/zinc/69/89/05/483698905.db2.gz FWRLCTQSIKSGQM-SECBINFHSA-N -1 0 357.326 -0.236 20 0 FBADRM Cc1cc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000531294890 483698721 /nfs/dbraw/zinc/69/87/21/483698721.db2.gz FWRLCTQSIKSGQM-VIFPVBQESA-N -1 0 357.326 -0.236 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCCOC[C@H]3CCCO3)cc-2c(=O)[n-]1 ZINC000531451255 483781023 /nfs/dbraw/zinc/78/10/23/483781023.db2.gz REANTDZMYPFAKT-SECBINFHSA-N -1 0 370.387 -0.090 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCCOC[C@@H]3CCCO3)cc-2c(=O)[n-]1 ZINC000531451256 483781062 /nfs/dbraw/zinc/78/10/62/483781062.db2.gz REANTDZMYPFAKT-VIFPVBQESA-N -1 0 370.387 -0.090 20 0 FBADRM COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)c2n[nH]c(=O)[n-]2)c1 ZINC000531470162 483893803 /nfs/dbraw/zinc/89/38/03/483893803.db2.gz ROLXFUNPLHEOHW-UHFFFAOYSA-N -1 0 360.334 -0.225 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)N(C)CC3)n1 ZINC000531476748 483894756 /nfs/dbraw/zinc/89/47/56/483894756.db2.gz PHWFLQDWXASMRT-UHFFFAOYSA-N -1 0 350.404 -0.183 20 0 FBADRM CCC[C@@H](NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)c1nn[n-]n1 ZINC000531570588 484015514 /nfs/dbraw/zinc/01/55/14/484015514.db2.gz AEGXZUBDRSNXLW-SECBINFHSA-N -1 0 360.378 -0.640 20 0 FBADRM CCC[C@H](NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)c1nn[n-]n1 ZINC000531570590 484015390 /nfs/dbraw/zinc/01/53/90/484015390.db2.gz AEGXZUBDRSNXLW-VIFPVBQESA-N -1 0 360.378 -0.640 20 0 FBADRM CC(C)NC(=O)CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000531740124 484021677 /nfs/dbraw/zinc/02/16/77/484021677.db2.gz LPVNPPKCFCQLPL-UHFFFAOYSA-N -1 0 371.415 -0.306 20 0 FBADRM CC(=O)NCCCNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000531740257 484020169 /nfs/dbraw/zinc/02/01/69/484020169.db2.gz XHMIEQGPUDFOEX-UHFFFAOYSA-N -1 0 357.388 -0.695 20 0 FBADRM CN(C)C(=O)C(C)(C)NC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000531745195 484022471 /nfs/dbraw/zinc/02/24/71/484022471.db2.gz RKJOYFNYAZTSAI-UHFFFAOYSA-N -1 0 371.415 -0.354 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1)c2=O ZINC000531745895 600487389 /nfs/dbraw/zinc/48/73/89/600487389.db2.gz UANMIFPTICAODY-LLVKDONJSA-N -1 0 363.374 -0.388 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1)c2=O ZINC000531745896 600487857 /nfs/dbraw/zinc/48/78/57/600487857.db2.gz UANMIFPTICAODY-NSHDSACASA-N -1 0 363.374 -0.388 20 0 FBADRM COCCOCCNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000531749527 484023205 /nfs/dbraw/zinc/02/32/05/484023205.db2.gz YWWYVFPMCBNFEW-UHFFFAOYSA-N -1 0 360.388 -0.558 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)NCCC(=O)Nc2ccccn2)c1 ZINC000531785835 484026088 /nfs/dbraw/zinc/02/60/88/484026088.db2.gz QXWDERWWOAFODB-UHFFFAOYSA-N -1 0 366.403 -0.762 20 0 FBADRM COC(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2cn(C)cn2)cc1 ZINC000531786005 484025885 /nfs/dbraw/zinc/02/58/85/484025885.db2.gz VGYWLLIPICAURM-UHFFFAOYSA-N -1 0 366.399 -0.199 20 0 FBADRM CN(C)C(=O)CCN1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000531872675 484045403 /nfs/dbraw/zinc/04/54/03/484045403.db2.gz CDYXQKUMICFBNH-UHFFFAOYSA-N -1 0 374.401 -0.328 20 0 FBADRM CN(CC(=O)NC1CC1)C(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000531996123 483877861 /nfs/dbraw/zinc/87/78/61/483877861.db2.gz MBUIKNDKGZYWRF-UHFFFAOYSA-N -1 0 369.399 -0.600 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)NC2(C(=O)[O-])Cc3ccccc3C2)nn1 ZINC000531998824 483877836 /nfs/dbraw/zinc/87/78/36/483877836.db2.gz FHJJRNSTTTTYIQ-UHFFFAOYSA-N -1 0 357.370 -0.282 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)NC1(C(=O)[O-])Cc2ccccc2C1 ZINC000531998930 483878040 /nfs/dbraw/zinc/87/80/40/483878040.db2.gz AQZJPMXIJZAUNH-UHFFFAOYSA-N -1 0 361.398 -0.243 20 0 FBADRM C[S@@](=O)CCCNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000532002926 483878100 /nfs/dbraw/zinc/87/81/00/483878100.db2.gz VQLGYPNZKCAFFB-JOCHJYFZSA-N -1 0 362.429 -0.452 20 0 FBADRM C[S@](=O)CCCNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000532002927 483878114 /nfs/dbraw/zinc/87/81/14/483878114.db2.gz VQLGYPNZKCAFFB-QFIPXVFZSA-N -1 0 362.429 -0.452 20 0 FBADRM CC(C)C(=O)NCCNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000532003700 483878175 /nfs/dbraw/zinc/87/81/75/483878175.db2.gz XWEPTBIJPDFGFO-UHFFFAOYSA-N -1 0 371.415 -0.449 20 0 FBADRM CCCNC(=O)CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000532005466 483878063 /nfs/dbraw/zinc/87/80/63/483878063.db2.gz PUTSBKXJDQKSRB-UHFFFAOYSA-N -1 0 371.415 -0.304 20 0 FBADRM Cc1noc(CCNC(=O)CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000532005577 483878167 /nfs/dbraw/zinc/87/81/67/483878167.db2.gz QWTAITCPZKDVMR-UHFFFAOYSA-N -1 0 368.371 -0.287 20 0 FBADRM O=C([O-])CCNC(=O)c1ccc(NS(=O)(=O)N2CCOCC2)cc1 ZINC000532192666 484198004 /nfs/dbraw/zinc/19/80/04/484198004.db2.gz WLKVPWZBUDDWSC-UHFFFAOYSA-N -1 0 357.388 -0.120 20 0 FBADRM CCNC(=O)CN(CC)C(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000532251053 484199335 /nfs/dbraw/zinc/19/93/35/484199335.db2.gz GZCKAEPDRAVOHA-UHFFFAOYSA-N -1 0 371.415 -0.352 20 0 FBADRM CC(C)(C)NC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000532251265 484200375 /nfs/dbraw/zinc/20/03/75/484200375.db2.gz HKALHKJJAJUBMH-UHFFFAOYSA-N -1 0 371.415 -0.306 20 0 FBADRM Cc1nc(CNC(=O)CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)no1 ZINC000532257183 484199259 /nfs/dbraw/zinc/19/92/59/484199259.db2.gz NJAQYWCXSCICKN-UHFFFAOYSA-N -1 0 354.344 -0.329 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)nn1 ZINC000532257549 484199899 /nfs/dbraw/zinc/19/98/99/484199899.db2.gz YIFMXUMKTXATNM-LLVKDONJSA-N -1 0 353.379 -0.538 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)nn1 ZINC000532257550 484200302 /nfs/dbraw/zinc/20/03/02/484200302.db2.gz YIFMXUMKTXATNM-NSHDSACASA-N -1 0 353.379 -0.538 20 0 FBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000532258380 484201735 /nfs/dbraw/zinc/20/17/35/484201735.db2.gz JVSFARYUJHFPRD-GFCCVEGCSA-N -1 0 351.403 -0.221 20 0 FBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000532258383 484201779 /nfs/dbraw/zinc/20/17/79/484201779.db2.gz JVSFARYUJHFPRD-LBPRGKRZSA-N -1 0 351.403 -0.221 20 0 FBADRM COCCOC1CN(C(=O)CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000532259203 484201057 /nfs/dbraw/zinc/20/10/57/484201057.db2.gz PTGYUISRIDDDOD-UHFFFAOYSA-N -1 0 372.399 -0.463 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000532260027 484200981 /nfs/dbraw/zinc/20/09/81/484200981.db2.gz TZYQSWIWMUXTIL-UHFFFAOYSA-N -1 0 366.436 -0.577 20 0 FBADRM NC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000532551725 484483043 /nfs/dbraw/zinc/48/30/43/484483043.db2.gz GJZRNDMHDNZJQF-UHFFFAOYSA-N -1 0 369.399 -0.613 20 0 FBADRM COCCN(CCOC)C(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000532551781 484483234 /nfs/dbraw/zinc/48/32/34/484483234.db2.gz VIMLSNQQOVOFHJ-UHFFFAOYSA-N -1 0 374.415 -0.216 20 0 FBADRM CN(C)C(=O)CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000532556347 484482757 /nfs/dbraw/zinc/48/27/57/484482757.db2.gz DQABXECACMGFGN-UHFFFAOYSA-N -1 0 357.388 -0.742 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)NCC(=O)N2CCS(=O)CC2)cc1 ZINC000532598104 484484660 /nfs/dbraw/zinc/48/46/60/484484660.db2.gz WLKUIQVBAJSAGR-UHFFFAOYSA-N -1 0 360.413 -0.746 20 0 FBADRM CNC(=O)[C@@H](C)CN(C)C(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000532600151 484484545 /nfs/dbraw/zinc/48/45/45/484484545.db2.gz RCRTVQWTQYLYHA-JTQLQIEISA-N -1 0 371.415 -0.496 20 0 FBADRM CNC(=O)[C@H](C)CN(C)C(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000532600152 484484833 /nfs/dbraw/zinc/48/48/33/484484833.db2.gz RCRTVQWTQYLYHA-SNVBAGLBSA-N -1 0 371.415 -0.496 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)N(CC(=O)[O-])C2CCOCC2)cc1 ZINC000532602828 484484871 /nfs/dbraw/zinc/48/48/71/484484871.db2.gz OHROBIIXXYIVCT-UHFFFAOYSA-N -1 0 356.400 -0.031 20 0 FBADRM CC(C)NC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000532603516 484484827 /nfs/dbraw/zinc/48/48/27/484484827.db2.gz SSCCJOVCGMFIPW-UHFFFAOYSA-N -1 0 357.388 -0.696 20 0 FBADRM Cc1noc(CNC(=O)CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000532604162 484483806 /nfs/dbraw/zinc/48/38/06/484483806.db2.gz GIHYPBZDVGNDFQ-UHFFFAOYSA-N -1 0 354.344 -0.329 20 0 FBADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)CNC(=O)CNC(C)=O)c1 ZINC000532604767 484484722 /nfs/dbraw/zinc/48/47/22/484484722.db2.gz MQYMRLZMCLQSFN-CYBMUJFWSA-N -1 0 351.359 -0.421 20 0 FBADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)CNC(=O)CNC(C)=O)c1 ZINC000532604768 484484081 /nfs/dbraw/zinc/48/40/81/484484081.db2.gz MQYMRLZMCLQSFN-ZDUSSCGKSA-N -1 0 351.359 -0.421 20 0 FBADRM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCCC1 ZINC000532669348 484494490 /nfs/dbraw/zinc/49/44/90/484494490.db2.gz MJGGDCQCDNEVHM-CYBMUJFWSA-N -1 0 353.419 -0.319 20 0 FBADRM O=C([O-])C1(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCCC1 ZINC000532669349 484493905 /nfs/dbraw/zinc/49/39/05/484493905.db2.gz MJGGDCQCDNEVHM-ZDUSSCGKSA-N -1 0 353.419 -0.319 20 0 FBADRM NC(=O)CC[C@@H](C(=O)N1CC[C@H](C(=O)[O-])C1)N1C(=O)c2ccccc2C1=O ZINC000532676700 484492009 /nfs/dbraw/zinc/49/20/09/484492009.db2.gz ZIWOPZPBOBEAKX-GWCFXTLKSA-N -1 0 373.365 -0.150 20 0 FBADRM NC(=O)CC[C@H](C(=O)N1CC[C@H](C(=O)[O-])C1)N1C(=O)c2ccccc2C1=O ZINC000532676701 484491423 /nfs/dbraw/zinc/49/14/23/484491423.db2.gz ZIWOPZPBOBEAKX-GXFFZTMASA-N -1 0 373.365 -0.150 20 0 FBADRM NC(=O)CC[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)N1C(=O)c2ccccc2C1=O ZINC000532676702 484492088 /nfs/dbraw/zinc/49/20/88/484492088.db2.gz ZIWOPZPBOBEAKX-MFKMUULPSA-N -1 0 373.365 -0.150 20 0 FBADRM NC(=O)CC[C@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)N1C(=O)c2ccccc2C1=O ZINC000532676703 484491338 /nfs/dbraw/zinc/49/13/38/484491338.db2.gz ZIWOPZPBOBEAKX-ZWNOBZJWSA-N -1 0 373.365 -0.150 20 0 FBADRM Cn1c2ncn(CC(=O)N3CCC[C@@H](CC(=O)[O-])C3)c2c(=O)n(C)c1=O ZINC000532691763 484493648 /nfs/dbraw/zinc/49/36/48/484493648.db2.gz DTPVILSSMVKHQW-JTQLQIEISA-N -1 0 363.374 -0.853 20 0 FBADRM Cn1c2ncn(CC(=O)N3CCC[C@H](CC(=O)[O-])C3)c2c(=O)n(C)c1=O ZINC000532691764 484494290 /nfs/dbraw/zinc/49/42/90/484494290.db2.gz DTPVILSSMVKHQW-SNVBAGLBSA-N -1 0 363.374 -0.853 20 0 FBADRM Cn1c2c(ccn2CC(=O)N2CCC[C@H](CC(=O)[O-])C2)c(=O)n(C)c1=O ZINC000532693551 484494189 /nfs/dbraw/zinc/49/41/89/484494189.db2.gz XTDGGFYCKNNIAX-LLVKDONJSA-N -1 0 362.386 -0.248 20 0 FBADRM Cn1c2c(ccn2CC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c(=O)n(C)c1=O ZINC000532693552 484493631 /nfs/dbraw/zinc/49/36/31/484493631.db2.gz XTDGGFYCKNNIAX-NSHDSACASA-N -1 0 362.386 -0.248 20 0 FBADRM Cc1ncc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C2CC2)n1 ZINC000532742236 484494870 /nfs/dbraw/zinc/49/48/70/484494870.db2.gz DFGITGFSCZBYFU-UHFFFAOYSA-N -1 0 351.388 -0.139 20 0 FBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C1 ZINC000532750665 484496618 /nfs/dbraw/zinc/49/66/18/484496618.db2.gz DAONVPRORDXDTG-JTQLQIEISA-N -1 0 361.445 -0.178 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C1 ZINC000532750667 484496110 /nfs/dbraw/zinc/49/61/10/484496110.db2.gz DAONVPRORDXDTG-SNVBAGLBSA-N -1 0 361.445 -0.178 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1 ZINC000532760263 484496277 /nfs/dbraw/zinc/49/62/77/484496277.db2.gz BZCMHGGAJWQMSG-LLVKDONJSA-N -1 0 352.372 -0.206 20 0 FBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1 ZINC000532760264 484496129 /nfs/dbraw/zinc/49/61/29/484496129.db2.gz BZCMHGGAJWQMSG-NSHDSACASA-N -1 0 352.372 -0.206 20 0 FBADRM COc1cc(C(=O)NCCn2ncnn2)cc([N-]S(C)(=O)=O)c1OC ZINC000532762021 484495579 /nfs/dbraw/zinc/49/55/79/484495579.db2.gz VWXXUVYXVWCSQX-UHFFFAOYSA-N -1 0 370.391 -0.508 20 0 FBADRM O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)c1n[nH]c(=O)[n-]1 ZINC000532790301 484498349 /nfs/dbraw/zinc/49/83/49/484498349.db2.gz KAAQXFAFHWKXBP-UHFFFAOYSA-N -1 0 351.797 -0.067 20 0 FBADRM O=C(CSCC(=O)N1CCC[C@@H](c2nnn[n-]2)C1)N1CCOCC1 ZINC000532793685 484499022 /nfs/dbraw/zinc/49/90/22/484499022.db2.gz YICPHLFZJRDGRC-LLVKDONJSA-N -1 0 354.436 -0.502 20 0 FBADRM O=C(CSCC(=O)N1CCC[C@H](c2nnn[n-]2)C1)N1CCOCC1 ZINC000532793686 484498376 /nfs/dbraw/zinc/49/83/76/484498376.db2.gz YICPHLFZJRDGRC-NSHDSACASA-N -1 0 354.436 -0.502 20 0 FBADRM CN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1cnc([O-])n(C)c1=O ZINC000532827817 484501746 /nfs/dbraw/zinc/50/17/46/484501746.db2.gz BMXJZKLYMAXGRM-UHFFFAOYSA-N -1 0 356.338 -0.146 20 0 FBADRM COCCOCCS(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1OC ZINC000532843141 484501726 /nfs/dbraw/zinc/50/17/26/484501726.db2.gz CNDSLOGIHMARSG-UHFFFAOYSA-N -1 0 368.433 -0.253 20 0 FBADRM Cn1c2ncn(CCC(=O)NC3(C(=O)[O-])CCCC3)c2c(=O)n(C)c1=O ZINC000532862764 484501170 /nfs/dbraw/zinc/50/11/70/484501170.db2.gz FNRSDGNKUYSWGT-UHFFFAOYSA-N -1 0 363.374 -0.663 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)NC2(C(=O)[O-])CCCC2)o1 ZINC000532862837 484501260 /nfs/dbraw/zinc/50/12/60/484501260.db2.gz ZIMUJPXDFFDWMP-UHFFFAOYSA-N -1 0 359.360 -0.830 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c(=O)n2C ZINC000532867248 484502801 /nfs/dbraw/zinc/50/28/01/484502801.db2.gz HIASQKYJLIEREW-JTQLQIEISA-N -1 0 363.374 -0.853 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)N1CCC[C@H](CC(=O)[O-])C1)c(=O)n2C ZINC000532867249 484502900 /nfs/dbraw/zinc/50/29/00/484502900.db2.gz HIASQKYJLIEREW-SNVBAGLBSA-N -1 0 363.374 -0.853 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC[C@H](CC(=O)[O-])C2)cn1C ZINC000532874491 484502227 /nfs/dbraw/zinc/50/22/27/484502227.db2.gz RQGRYVRPQZTJGU-LLVKDONJSA-N -1 0 358.420 -0.280 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cn1C ZINC000532874492 484503026 /nfs/dbraw/zinc/50/30/26/484503026.db2.gz RQGRYVRPQZTJGU-NSHDSACASA-N -1 0 358.420 -0.280 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000532875706 484502911 /nfs/dbraw/zinc/50/29/11/484502911.db2.gz CFWKNIJFZGYELF-UHFFFAOYSA-N -1 0 352.372 -0.036 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000532900423 484495110 /nfs/dbraw/zinc/49/51/10/484495110.db2.gz RGGREPANVMRLIE-LLVKDONJSA-N -1 0 366.399 -0.628 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000532900426 484494506 /nfs/dbraw/zinc/49/45/06/484494506.db2.gz RGGREPANVMRLIE-NSHDSACASA-N -1 0 366.399 -0.628 20 0 FBADRM CCNC(=O)CN1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CC1 ZINC000532900866 484503443 /nfs/dbraw/zinc/50/34/43/484503443.db2.gz LNIYLXJGXWKFTB-UHFFFAOYSA-N -1 0 365.459 -0.238 20 0 FBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000533089448 485174948 /nfs/dbraw/zinc/17/49/48/485174948.db2.gz MBRKCDDZKAROEL-SECBINFHSA-N -1 0 350.375 -0.099 20 0 FBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000533089449 485175614 /nfs/dbraw/zinc/17/56/14/485175614.db2.gz MBRKCDDZKAROEL-VIFPVBQESA-N -1 0 350.375 -0.099 20 0 FBADRM CN(C)c1ncc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cn1 ZINC000533091883 485176767 /nfs/dbraw/zinc/17/67/67/485176767.db2.gz GXWRMMKRWXEOHU-UHFFFAOYSA-N -1 0 357.417 -0.009 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000533113604 485182172 /nfs/dbraw/zinc/18/21/72/485182172.db2.gz MYBFIQMBSWKFAI-SECBINFHSA-N -1 0 366.403 -0.125 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000533113605 485182096 /nfs/dbraw/zinc/18/20/96/485182096.db2.gz MYBFIQMBSWKFAI-VIFPVBQESA-N -1 0 366.403 -0.125 20 0 FBADRM C[C@@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)S(C)(=O)=O ZINC000533149438 485189216 /nfs/dbraw/zinc/18/92/16/485189216.db2.gz ULSHTXVXAVGQGM-LURJTMIESA-N -1 0 362.389 -0.853 20 0 FBADRM C[C@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)S(C)(=O)=O ZINC000533149439 485189294 /nfs/dbraw/zinc/18/92/94/485189294.db2.gz ULSHTXVXAVGQGM-ZCFIWIBFSA-N -1 0 362.389 -0.853 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)OC)oc2C)n1 ZINC000533177564 485189968 /nfs/dbraw/zinc/18/99/68/485189968.db2.gz VRGKBICRPWYVRF-UHFFFAOYSA-N -1 0 358.332 -0.060 20 0 FBADRM Cn1c(=O)c2cc(C(=O)N3CCC[C@@H](CC(=O)[O-])C3)cnc2n(C)c1=O ZINC000533188320 485191430 /nfs/dbraw/zinc/19/14/30/485191430.db2.gz KKIBHUHQCNMWAA-JTQLQIEISA-N -1 0 360.370 -0.041 20 0 FBADRM Cn1c(=O)c2cc(C(=O)N3CCC[C@H](CC(=O)[O-])C3)cnc2n(C)c1=O ZINC000533188321 485190989 /nfs/dbraw/zinc/19/09/89/485190989.db2.gz KKIBHUHQCNMWAA-SNVBAGLBSA-N -1 0 360.370 -0.041 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)NCc1ccc(C(=O)[O-])cc1)c(=O)n2C ZINC000533188511 485191362 /nfs/dbraw/zinc/19/13/62/485191362.db2.gz SWVPWZQXPZPBNP-UHFFFAOYSA-N -1 0 371.353 -0.552 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000533188764 485191151 /nfs/dbraw/zinc/19/11/51/485191151.db2.gz QAYKARUZCWWTGV-GHMZBOCLSA-N -1 0 358.420 -0.200 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000533188765 485191014 /nfs/dbraw/zinc/19/10/14/485191014.db2.gz QAYKARUZCWWTGV-MNOVXSKESA-N -1 0 358.420 -0.200 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000533188766 485191582 /nfs/dbraw/zinc/19/15/82/485191582.db2.gz QAYKARUZCWWTGV-QWRGUYRKSA-N -1 0 358.420 -0.200 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000533188767 485191343 /nfs/dbraw/zinc/19/13/43/485191343.db2.gz QAYKARUZCWWTGV-WDEREUQCSA-N -1 0 358.420 -0.200 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N3CCC[C@@H](CC(=O)[O-])C3)nc2n(C)c1=O ZINC000533188917 485191384 /nfs/dbraw/zinc/19/13/84/485191384.db2.gz DILXCCSIEGQJBB-JTQLQIEISA-N -1 0 360.370 -0.041 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N3CCC[C@H](CC(=O)[O-])C3)nc2n(C)c1=O ZINC000533188918 485191750 /nfs/dbraw/zinc/19/17/50/485191750.db2.gz DILXCCSIEGQJBB-SNVBAGLBSA-N -1 0 360.370 -0.041 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)NCc2ccc(C(=O)[O-])cc2)cn1 ZINC000533189812 485191376 /nfs/dbraw/zinc/19/13/76/485191376.db2.gz KXQBUDDCKGBQSI-UHFFFAOYSA-N -1 0 352.372 -0.287 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)Nc2cccc(CC(=O)[O-])c2)cn1 ZINC000533195316 485192705 /nfs/dbraw/zinc/19/27/05/485192705.db2.gz MNRKYMBBYDYZIT-UHFFFAOYSA-N -1 0 352.372 -0.036 20 0 FBADRM Cn1c(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000533196012 485192455 /nfs/dbraw/zinc/19/24/55/485192455.db2.gz XIVLWUCVKKMFBB-JTQLQIEISA-N -1 0 362.386 -0.097 20 0 FBADRM Cn1c(C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000533196025 485192627 /nfs/dbraw/zinc/19/26/27/485192627.db2.gz XIVLWUCVKKMFBB-SNVBAGLBSA-N -1 0 362.386 -0.097 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CCC[C@H](CC(=O)[O-])C2)c[nH]1 ZINC000533197100 485192759 /nfs/dbraw/zinc/19/27/59/485192759.db2.gz FUDOBDDSCHLDDY-SECBINFHSA-N -1 0 372.403 -0.895 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c[nH]1 ZINC000533197101 485192474 /nfs/dbraw/zinc/19/24/74/485192474.db2.gz FUDOBDDSCHLDDY-VIFPVBQESA-N -1 0 372.403 -0.895 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc(CC(=O)[O-])c1)c(=O)n2C ZINC000533197451 485192603 /nfs/dbraw/zinc/19/26/03/485192603.db2.gz YTXJUVMTHURAKA-UHFFFAOYSA-N -1 0 371.353 -0.301 20 0 FBADRM CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000533329408 485202108 /nfs/dbraw/zinc/20/21/08/485202108.db2.gz DCUDVPDVZPTJRW-UHFFFAOYSA-N -1 0 373.416 -0.474 20 0 FBADRM CNS(=O)(=O)[C@H]1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C1 ZINC000533545845 483487127 /nfs/dbraw/zinc/48/71/27/483487127.db2.gz ROJFPHCWMYRUGB-JTQLQIEISA-N -1 0 358.445 -0.368 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C1 ZINC000533545846 483487763 /nfs/dbraw/zinc/48/77/63/483487763.db2.gz ROJFPHCWMYRUGB-SNVBAGLBSA-N -1 0 358.445 -0.368 20 0 FBADRM COc1cc(C(=O)NC[C@@]2(O)CCOC2)cc([N-]S(C)(=O)=O)c1OC ZINC000533716643 483581885 /nfs/dbraw/zinc/58/18/85/483581885.db2.gz NKKRMISOEOEBAR-HNNXBMFYSA-N -1 0 374.415 -0.044 20 0 FBADRM COc1cc(C(=O)NC[C@]2(O)CCOC2)cc([N-]S(C)(=O)=O)c1OC ZINC000533716646 483581671 /nfs/dbraw/zinc/58/16/71/483581671.db2.gz NKKRMISOEOEBAR-OAHLLOKOSA-N -1 0 374.415 -0.044 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)N=c2nc(-c3cccnc3)[n-]s2)nn1 ZINC000533728906 483584914 /nfs/dbraw/zinc/58/49/14/483584914.db2.gz LJMWMPYUDPTSCE-UHFFFAOYSA-N -1 0 358.387 -0.046 20 0 FBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000533781527 483614456 /nfs/dbraw/zinc/61/44/56/483614456.db2.gz SLGQQHCJHQOIAY-JTQLQIEISA-N -1 0 353.404 -0.516 20 0 FBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000533781529 483615688 /nfs/dbraw/zinc/61/56/88/483615688.db2.gz SLGQQHCJHQOIAY-SNVBAGLBSA-N -1 0 353.404 -0.516 20 0 FBADRM CNC(=O)[C@H](C)NC(=O)c1cc([N-]S(C)(=O)=O)c(OC)c(OC)c1 ZINC000533793805 483615516 /nfs/dbraw/zinc/61/55/16/483615516.db2.gz AHSGIUXKLKSVTB-QMMMGPOBSA-N -1 0 359.404 -0.060 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCSC[C@H]3CCO)cc-2c(=O)[n-]1 ZINC000534005917 484023517 /nfs/dbraw/zinc/02/35/17/484023517.db2.gz PMJFHZAOXZVEEC-MRVPVSSYSA-N -1 0 372.428 -0.076 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCSC[C@@H]3CCO)cc-2c(=O)[n-]1 ZINC000534005921 484022974 /nfs/dbraw/zinc/02/29/74/484022974.db2.gz PMJFHZAOXZVEEC-QMMMGPOBSA-N -1 0 372.428 -0.076 20 0 FBADRM COC(=O)[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)Oc1ccc(F)cc1 ZINC000534034010 484024625 /nfs/dbraw/zinc/02/46/25/484024625.db2.gz BDWISVKDOCCIAR-GFCCVEGCSA-N -1 0 365.317 -0.025 20 0 FBADRM COC(=O)[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)Oc1ccc(F)cc1 ZINC000534034011 484024306 /nfs/dbraw/zinc/02/43/06/484024306.db2.gz BDWISVKDOCCIAR-LBPRGKRZSA-N -1 0 365.317 -0.025 20 0 FBADRM COc1cc([N-]S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)ncn1 ZINC000534064051 484026235 /nfs/dbraw/zinc/02/62/35/484026235.db2.gz FPTZZVOJKNKUPZ-UHFFFAOYSA-N -1 0 364.343 -0.367 20 0 FBADRM COCCN1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CC1=O ZINC000534337270 484044247 /nfs/dbraw/zinc/04/42/47/484044247.db2.gz LOYJXGBIYZXLIW-UHFFFAOYSA-N -1 0 352.416 -0.201 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000534421049 484047946 /nfs/dbraw/zinc/04/79/46/484047946.db2.gz UVBKJTLALSUUNU-CABZTGNLSA-N -1 0 350.375 -0.346 20 0 FBADRM CNC(=O)[C@H](C)NC(=O)c1ccc(-n2[n-]c(CC(=O)OC)cc2=O)cc1 ZINC000534532120 483870274 /nfs/dbraw/zinc/87/02/74/483870274.db2.gz MRGNOQVJMMGXQA-JTQLQIEISA-N -1 0 360.370 -0.255 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N(C)[C@H]3CCNC3=O)cc2)[n-]1 ZINC000534782547 483874275 /nfs/dbraw/zinc/87/42/75/483874275.db2.gz OMDLGTOGVSGDFT-AWEZNQCLSA-N -1 0 372.381 -0.158 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N(C)[C@@H]3CCNC3=O)cc2)[n-]1 ZINC000534782548 483874277 /nfs/dbraw/zinc/87/42/77/483874277.db2.gz OMDLGTOGVSGDFT-CQSZACIVSA-N -1 0 372.381 -0.158 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)Nc3ccncc3F)cnc21 ZINC000534799217 483874319 /nfs/dbraw/zinc/87/43/19/483874319.db2.gz RWKQSYULQVYQMY-UHFFFAOYSA-N -1 0 351.319 -0.209 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NCc2csc(=O)[nH]2)cn1C ZINC000534799440 483874291 /nfs/dbraw/zinc/87/42/91/483874291.db2.gz NNNRVHRTTCWKSV-UHFFFAOYSA-N -1 0 359.433 -0.125 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2CCC(O)(C(F)(F)F)CC2)c1 ZINC000534918070 483875334 /nfs/dbraw/zinc/87/53/34/483875334.db2.gz VDFKAWXHRUWBPJ-UHFFFAOYSA-N -1 0 370.353 -0.386 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000535154935 483878389 /nfs/dbraw/zinc/87/83/89/483878389.db2.gz YHZMLSYKIWWFMT-KWQFWETISA-N -1 0 350.375 -0.195 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@@]2(O)CCOC2)c1 ZINC000535168210 483878412 /nfs/dbraw/zinc/87/84/12/483878412.db2.gz ZUAAMVOGRYLLEM-HNNXBMFYSA-N -1 0 371.415 -0.102 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@]2(O)CCOC2)c1 ZINC000535168217 483878524 /nfs/dbraw/zinc/87/85/24/483878524.db2.gz ZUAAMVOGRYLLEM-OAHLLOKOSA-N -1 0 371.415 -0.102 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000535231720 483879051 /nfs/dbraw/zinc/87/90/51/483879051.db2.gz UCHZQEIYRVJDHK-UHFFFAOYSA-N -1 0 371.444 -0.084 20 0 FBADRM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000535250873 483879463 /nfs/dbraw/zinc/87/94/63/483879463.db2.gz HYFNMLVRKUARNR-LURJTMIESA-N -1 0 362.389 -0.853 20 0 FBADRM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000535250875 483879286 /nfs/dbraw/zinc/87/92/86/483879286.db2.gz HYFNMLVRKUARNR-ZCFIWIBFSA-N -1 0 362.389 -0.853 20 0 FBADRM CNC(=O)[C@H](C)NC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O ZINC000535266324 483881413 /nfs/dbraw/zinc/88/14/13/483881413.db2.gz PXJMORJTMOIXMY-QMMMGPOBSA-N -1 0 356.404 -0.119 20 0 FBADRM C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000535421608 483896151 /nfs/dbraw/zinc/89/61/51/483896151.db2.gz ZLUYZJKJPHVNEV-HTQZYQBOSA-N -1 0 356.360 -0.794 20 0 FBADRM C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000535421609 483896076 /nfs/dbraw/zinc/89/60/76/483896076.db2.gz ZLUYZJKJPHVNEV-JGVFFNPUSA-N -1 0 356.360 -0.794 20 0 FBADRM C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000535421610 483896251 /nfs/dbraw/zinc/89/62/51/483896251.db2.gz ZLUYZJKJPHVNEV-SFYZADRCSA-N -1 0 356.360 -0.794 20 0 FBADRM C[C@H]1CO[C@H](CO)CN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000535421611 483895934 /nfs/dbraw/zinc/89/59/34/483895934.db2.gz ZLUYZJKJPHVNEV-YUMQZZPRSA-N -1 0 356.360 -0.794 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2)cn1 ZINC000535655326 484117497 /nfs/dbraw/zinc/11/74/97/484117497.db2.gz PBQDPFQZJIOGPC-UHFFFAOYSA-N -1 0 363.359 -0.167 20 0 FBADRM CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C1 ZINC000535725470 484125151 /nfs/dbraw/zinc/12/51/51/484125151.db2.gz CLURVNSWWMGMCE-CHWSQXEVSA-N -1 0 365.434 -0.173 20 0 FBADRM CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000535725478 484125650 /nfs/dbraw/zinc/12/56/50/484125650.db2.gz CLURVNSWWMGMCE-OLZOCXBDSA-N -1 0 365.434 -0.173 20 0 FBADRM CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C1 ZINC000535725479 484126056 /nfs/dbraw/zinc/12/60/56/484126056.db2.gz CLURVNSWWMGMCE-QWHCGFSZSA-N -1 0 365.434 -0.173 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000535824292 484138632 /nfs/dbraw/zinc/13/86/32/484138632.db2.gz AXLGEEHCDCRIPV-JTQLQIEISA-N -1 0 362.429 -0.399 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000535824295 484138948 /nfs/dbraw/zinc/13/89/48/484138948.db2.gz AXLGEEHCDCRIPV-SNVBAGLBSA-N -1 0 362.429 -0.399 20 0 FBADRM CC(C)C(=O)NCCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000535898933 484143650 /nfs/dbraw/zinc/14/36/50/484143650.db2.gz OIMCDSRRHOCMIT-UHFFFAOYSA-N -1 0 369.403 -0.123 20 0 FBADRM Cc1c(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)cnn1C ZINC000536087183 484152892 /nfs/dbraw/zinc/15/28/92/484152892.db2.gz ZFIQGOSRWPEFMP-UHFFFAOYSA-N -1 0 350.360 -0.044 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cc(-c3cccnc3)[nH]n2)c(=O)n(C)c1=O ZINC000536141761 484155361 /nfs/dbraw/zinc/15/53/61/484155361.db2.gz QUWJSQQVSDGBMG-UHFFFAOYSA-N -1 0 362.371 -0.330 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NC[C@]3(CCO)CCOC3)cc-2c(=O)[n-]1 ZINC000536247775 483618105 /nfs/dbraw/zinc/61/81/05/483618105.db2.gz HPJNPXOKSPYUCL-AWEZNQCLSA-N -1 0 370.387 -0.497 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NC[C@@]3(CCO)CCOC3)cc-2c(=O)[n-]1 ZINC000536247794 483618046 /nfs/dbraw/zinc/61/80/46/483618046.db2.gz HPJNPXOKSPYUCL-CQSZACIVSA-N -1 0 370.387 -0.497 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000536358433 483836053 /nfs/dbraw/zinc/83/60/53/483836053.db2.gz DDJNZRLPCIRADY-JTQLQIEISA-N -1 0 361.445 -0.049 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000536358436 483835762 /nfs/dbraw/zinc/83/57/62/483835762.db2.gz DDJNZRLPCIRADY-SNVBAGLBSA-N -1 0 361.445 -0.049 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000536550653 484161038 /nfs/dbraw/zinc/16/10/38/484161038.db2.gz QHTWCPRRPQEJJD-AWEZNQCLSA-N -1 0 362.386 -0.205 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000536550657 484161294 /nfs/dbraw/zinc/16/12/94/484161294.db2.gz QHTWCPRRPQEJJD-CQSZACIVSA-N -1 0 362.386 -0.205 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NC2CCC(C(=O)[O-])CC2)cn1C ZINC000536693521 484170905 /nfs/dbraw/zinc/17/09/05/484170905.db2.gz XYDLUZNUZOBMNW-UHFFFAOYSA-N -1 0 358.420 -0.234 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)N(C)C)c2)cn1 ZINC000536700172 484170923 /nfs/dbraw/zinc/17/09/23/484170923.db2.gz ONABRDJEFOVAOX-UHFFFAOYSA-N -1 0 367.387 -0.046 20 0 FBADRM COCCNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C)cnc2N)cn1 ZINC000536898814 485207609 /nfs/dbraw/zinc/20/76/09/485207609.db2.gz YVCYEEHHVLIFDL-UHFFFAOYSA-N -1 0 368.419 -0.268 20 0 FBADRM Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC(N)=O)cc2)c1 ZINC000536904148 485207571 /nfs/dbraw/zinc/20/75/71/485207571.db2.gz HMJNHVSYKBBRBY-UHFFFAOYSA-N -1 0 363.399 -0.012 20 0 FBADRM CS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c1 ZINC000537047307 485243709 /nfs/dbraw/zinc/24/37/09/485243709.db2.gz CKSRRPGQRYGNGJ-UHFFFAOYSA-N -1 0 365.415 -0.128 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)s1 ZINC000537123836 485247755 /nfs/dbraw/zinc/24/77/55/485247755.db2.gz KXIHKIGBAZTWTI-MRVPVSSYSA-N -1 0 356.433 -0.143 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3nnn[n-]3)C2)s1 ZINC000537123837 485247647 /nfs/dbraw/zinc/24/76/47/485247647.db2.gz KXIHKIGBAZTWTI-QMMMGPOBSA-N -1 0 356.433 -0.143 20 0 FBADRM CN(CC(=O)N1CCC[C@@H](c2nnn[n-]2)C1)S(=O)(=O)c1cccnc1 ZINC000537123931 485247257 /nfs/dbraw/zinc/24/72/57/485247257.db2.gz PCOQLFRSMQNZCL-LLVKDONJSA-N -1 0 365.419 -0.379 20 0 FBADRM CN(CC(=O)N1CCC[C@H](c2nnn[n-]2)C1)S(=O)(=O)c1cccnc1 ZINC000537123932 485247795 /nfs/dbraw/zinc/24/77/95/485247795.db2.gz PCOQLFRSMQNZCL-NSHDSACASA-N -1 0 365.419 -0.379 20 0 FBADRM Cn1c(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000537124825 485249036 /nfs/dbraw/zinc/24/90/36/485249036.db2.gz JOAOMWWSXZZWFI-SECBINFHSA-N -1 0 372.389 -0.891 20 0 FBADRM Cn1c(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000537124826 485248392 /nfs/dbraw/zinc/24/83/92/485248392.db2.gz JOAOMWWSXZZWFI-VIFPVBQESA-N -1 0 372.389 -0.891 20 0 FBADRM Cn1ccc(S(=O)(=O)[N-]c2ccnc(C(=O)N3CCN(C)CC3)c2)n1 ZINC000537270097 485256987 /nfs/dbraw/zinc/25/69/87/485256987.db2.gz KJOFMDSWCDUDCD-UHFFFAOYSA-N -1 0 364.431 -0.575 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC2(C(=O)[O-])CC2)c1 ZINC000537363283 485261246 /nfs/dbraw/zinc/26/12/46/485261246.db2.gz KSGHKQQUGGIYAH-UHFFFAOYSA-N -1 0 371.415 -0.388 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000537370447 485261434 /nfs/dbraw/zinc/26/14/34/485261434.db2.gz YTJDLIHWRJSCOD-GFCCVEGCSA-N -1 0 350.418 -0.066 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000537370449 485261381 /nfs/dbraw/zinc/26/13/81/485261381.db2.gz YTJDLIHWRJSCOD-LBPRGKRZSA-N -1 0 350.418 -0.066 20 0 FBADRM COC(=O)c1ccnc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000537395149 485262612 /nfs/dbraw/zinc/26/26/12/485262612.db2.gz VCQBDQDSRZTGPB-UHFFFAOYSA-N -1 0 354.344 -0.934 20 0 FBADRM COc1ccc2[nH]nc([N-]S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)c2c1 ZINC000537395998 485262849 /nfs/dbraw/zinc/26/28/49/485262849.db2.gz QKNBUWYISYFKLS-UHFFFAOYSA-N -1 0 365.371 -0.230 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2ccccc2S(C)(=O)=O)c(=O)n(C)c1=O ZINC000537396064 485262649 /nfs/dbraw/zinc/26/26/49/485262649.db2.gz UXKJXQSPHNTRLG-UHFFFAOYSA-N -1 0 373.412 -0.712 20 0 FBADRM Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000537396510 485262487 /nfs/dbraw/zinc/26/24/87/485262487.db2.gz HVCQKJLHNVMJEP-UHFFFAOYSA-N -1 0 350.360 -0.764 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cnn(-c3ccccn3)c2)c(=O)n(C)c1=O ZINC000537397402 485262436 /nfs/dbraw/zinc/26/24/36/485262436.db2.gz VBNUJHLOMIZPRP-UHFFFAOYSA-N -1 0 362.371 -0.535 20 0 FBADRM O=C([O-])[C@@]1(NC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)CCOC1 ZINC000537411137 485261341 /nfs/dbraw/zinc/26/13/41/485261341.db2.gz LUVILLAUMKYDFY-GOSISDBHSA-N -1 0 371.349 -0.016 20 0 FBADRM O=C([O-])[C@]1(NC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)CCOC1 ZINC000537411144 485261241 /nfs/dbraw/zinc/26/12/41/485261241.db2.gz LUVILLAUMKYDFY-SFHVURJKSA-N -1 0 371.349 -0.016 20 0 FBADRM COC(=O)c1ccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)s1 ZINC000537600474 485268218 /nfs/dbraw/zinc/26/82/18/485268218.db2.gz LNPHYLLBQLFVLB-UHFFFAOYSA-N -1 0 359.385 -0.267 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)cn1 ZINC000537652924 485269657 /nfs/dbraw/zinc/26/96/57/485269657.db2.gz SJMCFCHMIQQUHD-UHFFFAOYSA-N -1 0 353.360 -0.259 20 0 FBADRM COC(=O)C1(O)CCN(C(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)CC1 ZINC000537665986 485271008 /nfs/dbraw/zinc/27/10/08/485271008.db2.gz YLCNERBNTSCWQH-UHFFFAOYSA-N -1 0 370.431 -0.278 20 0 FBADRM COC(=O)CNC(=O)CNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000537722058 485271938 /nfs/dbraw/zinc/27/19/38/485271938.db2.gz VYCCORLMTRXJCV-UHFFFAOYSA-N -1 0 361.351 -0.784 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2c(OC)ncnc2N(C)C)cn1 ZINC000538131417 483609313 /nfs/dbraw/zinc/60/93/13/483609313.db2.gz KKKLNPAMBAUQGL-UHFFFAOYSA-N -1 0 370.391 -0.279 20 0 FBADRM CCCCn1c(N)c(N(CCOC)Cc2n[nH]c(=O)[n-]2)c(=O)[nH]c1=O ZINC000538148925 484530774 /nfs/dbraw/zinc/53/07/74/484530774.db2.gz AYZHJDYNOPRGKW-UHFFFAOYSA-N -1 0 353.383 -0.192 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000538225464 484532361 /nfs/dbraw/zinc/53/23/61/484532361.db2.gz BKMKOSRAQNVFKT-LLVKDONJSA-N -1 0 360.440 -0.750 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000538225467 484532025 /nfs/dbraw/zinc/53/20/25/484532025.db2.gz BKMKOSRAQNVFKT-NSHDSACASA-N -1 0 360.440 -0.750 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc1 ZINC000538226564 484532571 /nfs/dbraw/zinc/53/25/71/484532571.db2.gz SVSYEGKDPDUHJN-LLVKDONJSA-N -1 0 350.404 -0.204 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc1 ZINC000538226566 484532190 /nfs/dbraw/zinc/53/21/90/484532190.db2.gz SVSYEGKDPDUHJN-NSHDSACASA-N -1 0 350.404 -0.204 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCN(CCCO)CC3)cc-2c(=O)[n-]1 ZINC000538265404 484535301 /nfs/dbraw/zinc/53/53/01/484535301.db2.gz GBVHDMHUDNMBAA-UHFFFAOYSA-N -1 0 369.403 -0.875 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)Oc1ccc(F)cc1 ZINC000538466889 484542067 /nfs/dbraw/zinc/54/20/67/484542067.db2.gz UHNWOQUCVMGVLT-LLVKDONJSA-N -1 0 351.290 -0.264 20 0 FBADRM O=C([O-])[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)Oc1ccc(F)cc1 ZINC000538466890 484542144 /nfs/dbraw/zinc/54/21/44/484542144.db2.gz UHNWOQUCVMGVLT-NSHDSACASA-N -1 0 351.290 -0.264 20 0 FBADRM CC(C)(C)c1nc(=NC(=O)C(=O)NCC(=O)N2CCOCC2)s[n-]1 ZINC000538483027 484543797 /nfs/dbraw/zinc/54/37/97/484543797.db2.gz WKAPUPYKVCUHPT-UHFFFAOYSA-N -1 0 355.420 -0.829 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)c(=O)n(C)c1=O ZINC000538495711 484545137 /nfs/dbraw/zinc/54/51/37/484545137.db2.gz XGPBRWIDLJUAST-UHFFFAOYSA-N -1 0 363.355 -0.065 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2nncn2-c2ccccc2)c(=O)n(C)c1=O ZINC000538495972 484544480 /nfs/dbraw/zinc/54/44/80/484544480.db2.gz MHERBMRYPUSDOB-UHFFFAOYSA-N -1 0 362.371 -0.535 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2nc3c(s2)COCC3)c(=O)n(C)c1=O ZINC000538496053 484544969 /nfs/dbraw/zinc/54/49/69/484544969.db2.gz QIEYMBFMMXDRNA-UHFFFAOYSA-N -1 0 358.401 -0.586 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2n[nH]c3ccc(F)cc32)c(=O)n(C)c1=O ZINC000538496859 484544681 /nfs/dbraw/zinc/54/46/81/484544681.db2.gz KFWNBRXKGFCMTP-UHFFFAOYSA-N -1 0 353.335 -0.100 20 0 FBADRM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000538497698 484545450 /nfs/dbraw/zinc/54/54/50/484545450.db2.gz KAOLMOORLOZHQZ-UHFFFAOYSA-N -1 0 371.346 -0.190 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)NC1(C(=O)[O-])Cc2ccccc2C1 ZINC000538504150 484545353 /nfs/dbraw/zinc/54/53/53/484545353.db2.gz GETQWLLYGIWKJU-UHFFFAOYSA-N -1 0 370.427 -0.319 20 0 FBADRM Cc1ccc(-n2[n-]c(C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)cc2=O)cc1 ZINC000538708181 484549648 /nfs/dbraw/zinc/54/96/48/484549648.db2.gz FUGZHKFLJZVRLJ-CYBMUJFWSA-N -1 0 355.354 -0.150 20 0 FBADRM Cc1ccc(-n2[n-]c(C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)cc2=O)cc1 ZINC000538708182 484549806 /nfs/dbraw/zinc/54/98/06/484549806.db2.gz FUGZHKFLJZVRLJ-ZDUSSCGKSA-N -1 0 355.354 -0.150 20 0 FBADRM CNC(=O)Cn1nc([N-]S(=O)(=O)c2ccc(C(=O)OC)nc2)cc1C ZINC000538753348 484552095 /nfs/dbraw/zinc/55/20/95/484552095.db2.gz JARFIVCJZOWGKL-UHFFFAOYSA-N -1 0 367.387 -0.080 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)OC)nc2)cn1 ZINC000538753399 484552216 /nfs/dbraw/zinc/55/22/16/484552216.db2.gz MGGYFTIVFBSUOQ-UHFFFAOYSA-N -1 0 353.360 -0.389 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)N(C)C)n2)cn1 ZINC000538755783 484551968 /nfs/dbraw/zinc/55/19/68/484551968.db2.gz PULKZMDMHFFBJQ-UHFFFAOYSA-N -1 0 367.387 -0.046 20 0 FBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000538909336 484559309 /nfs/dbraw/zinc/55/93/09/484559309.db2.gz NBYRUQMCTCLWHR-SECBINFHSA-N -1 0 367.387 -0.410 20 0 FBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000538909337 484559328 /nfs/dbraw/zinc/55/93/28/484559328.db2.gz NBYRUQMCTCLWHR-VIFPVBQESA-N -1 0 367.387 -0.410 20 0 FBADRM COCCOCCS(=O)(=O)[N-]c1ccc(S(N)(=O)=O)c(F)c1 ZINC000538938326 484559988 /nfs/dbraw/zinc/55/99/88/484559988.db2.gz NNVMCLAVIFFRIE-UHFFFAOYSA-N -1 0 356.397 -0.122 20 0 FBADRM NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2S(N)(=O)=O)cn1 ZINC000538938657 484560232 /nfs/dbraw/zinc/56/02/32/484560232.db2.gz HOYGAHHKMKWPEU-UHFFFAOYSA-N -1 0 356.385 -0.371 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)Cc2cccc(C(=O)OC)c2)n1 ZINC000539112403 484564696 /nfs/dbraw/zinc/56/46/96/484564696.db2.gz FYWOJTFHEQCLHI-UHFFFAOYSA-N -1 0 367.387 -0.247 20 0 FBADRM CN(C)C(=O)COC1CN(C(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)C1 ZINC000539199771 484565404 /nfs/dbraw/zinc/56/54/04/484565404.db2.gz NPHOSHORPJQNLV-UHFFFAOYSA-N -1 0 369.447 -0.488 20 0 FBADRM Nc1c(N(CCO)Cc2n[nH]c(=O)[n-]2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000539250333 484568289 /nfs/dbraw/zinc/56/82/89/484568289.db2.gz PEPOVBXWIWRYTE-UHFFFAOYSA-N -1 0 373.373 -0.598 20 0 FBADRM CN(C[C@@H](O)C(F)(F)F)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000539366567 484571324 /nfs/dbraw/zinc/57/13/24/484571324.db2.gz OQLDUCSXBZHBOT-SSDOTTSWSA-N -1 0 368.293 -0.020 20 0 FBADRM CN(C[C@H](O)C(F)(F)F)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000539366578 484571000 /nfs/dbraw/zinc/57/10/00/484571000.db2.gz OQLDUCSXBZHBOT-ZETCQYMHSA-N -1 0 368.293 -0.020 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)nc1 ZINC000539554403 484575751 /nfs/dbraw/zinc/57/57/51/484575751.db2.gz YQGBSOJMXLRUQW-UHFFFAOYSA-N -1 0 361.343 -0.337 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000539572720 484576236 /nfs/dbraw/zinc/57/62/36/484576236.db2.gz BODBWKGXITUDGP-UHFFFAOYSA-N -1 0 374.415 -0.035 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2nnc(-c3ccco3)s2)c(=O)n(C)c1=O ZINC000539595958 484577415 /nfs/dbraw/zinc/57/74/15/484577415.db2.gz AITBEUCXLDDUHU-UHFFFAOYSA-N -1 0 369.384 -0.004 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cnccc2-n2cccn2)c(=O)n(C)c1=O ZINC000539597680 484577562 /nfs/dbraw/zinc/57/75/62/484577562.db2.gz VCDVMEYSMWTPSQ-UHFFFAOYSA-N -1 0 362.371 -0.535 20 0 FBADRM CCSc1nnc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)s1 ZINC000539598157 484577685 /nfs/dbraw/zinc/57/76/85/484577685.db2.gz AGXUQUPUWAEDKG-UHFFFAOYSA-N -1 0 363.446 -0.152 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-])c2=O ZINC000539675627 484576969 /nfs/dbraw/zinc/57/69/69/484576969.db2.gz HLWWBBVZNYQLRR-LLVKDONJSA-N -1 0 365.390 -0.095 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])c2=O ZINC000539675628 484577340 /nfs/dbraw/zinc/57/73/40/484577340.db2.gz HLWWBBVZNYQLRR-NSHDSACASA-N -1 0 365.390 -0.095 20 0 FBADRM O=C([O-])c1ccccc1CC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000539682576 484577446 /nfs/dbraw/zinc/57/74/46/484577446.db2.gz RXXUYXBOOFVMSZ-UHFFFAOYSA-N -1 0 359.382 -0.123 20 0 FBADRM Cn1c(=O)ccn(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1=O ZINC000539682985 484577983 /nfs/dbraw/zinc/57/79/83/484577983.db2.gz BWRPRKYHFQFWSI-AWEZNQCLSA-N -1 0 370.365 -0.160 20 0 FBADRM Cn1c(=O)ccn(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1=O ZINC000539682986 484577385 /nfs/dbraw/zinc/57/73/85/484577385.db2.gz BWRPRKYHFQFWSI-CQSZACIVSA-N -1 0 370.365 -0.160 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)NCCOc2ccc(C(=O)[O-])cc2)nn1 ZINC000539683711 484577233 /nfs/dbraw/zinc/57/72/33/484577233.db2.gz CYMUDBLUGVWJFD-UHFFFAOYSA-N -1 0 361.358 -0.127 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)n(C)c1 ZINC000539809582 484582554 /nfs/dbraw/zinc/58/25/54/484582554.db2.gz VNTWYCYKCMRFLR-JTQLQIEISA-N -1 0 367.435 -0.192 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)n(C)c1 ZINC000539809583 484582214 /nfs/dbraw/zinc/58/22/14/484582214.db2.gz VNTWYCYKCMRFLR-SNVBAGLBSA-N -1 0 367.435 -0.192 20 0 FBADRM Cn1c(C(=O)NC2CCC(C(=O)[O-])CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000539845413 484584145 /nfs/dbraw/zinc/58/41/45/484584145.db2.gz BWMCRLYKKPGGPC-UHFFFAOYSA-N -1 0 362.386 -0.051 20 0 FBADRM COC(=O)CNC(=O)CNC(=O)c1cc(C)ccc1[N-]S(C)(=O)=O ZINC000539923236 484586581 /nfs/dbraw/zinc/58/65/81/484586581.db2.gz VPYXBLJZDKPILE-UHFFFAOYSA-N -1 0 357.388 -0.614 20 0 FBADRM C[C@H](CNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O)S(N)(=O)=O ZINC000539936736 484587079 /nfs/dbraw/zinc/58/70/79/484587079.db2.gz PWSYUWILWWZLME-SSDOTTSWSA-N -1 0 353.397 -0.396 20 0 FBADRM C[C@@H](CNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O)S(N)(=O)=O ZINC000539936737 484586818 /nfs/dbraw/zinc/58/68/18/484586818.db2.gz PWSYUWILWWZLME-ZETCQYMHSA-N -1 0 353.397 -0.396 20 0 FBADRM Cc1cnc(N)c(S(=O)(=O)[N-]c2cccc(C(=O)NCC(N)=O)c2)c1 ZINC000540217399 484591053 /nfs/dbraw/zinc/59/10/53/484591053.db2.gz ODLYXNXYDIGYIQ-UHFFFAOYSA-N -1 0 363.399 -0.012 20 0 FBADRM COC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)n1 ZINC000540337572 484595338 /nfs/dbraw/zinc/59/53/38/484595338.db2.gz AKPSKBWVMNKQHK-UHFFFAOYSA-N -1 0 369.403 -0.103 20 0 FBADRM COC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)cn1 ZINC000540337786 484595292 /nfs/dbraw/zinc/59/52/92/484595292.db2.gz FSGQYVFKGMLKCM-UHFFFAOYSA-N -1 0 369.403 -0.103 20 0 FBADRM COCCN(Cc1n[nH]c(=O)[n-]1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000540350512 484596017 /nfs/dbraw/zinc/59/60/17/484596017.db2.gz QDNMIKRGPVGUQZ-UHFFFAOYSA-N -1 0 353.383 -0.336 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)C1 ZINC000540423318 484597174 /nfs/dbraw/zinc/59/71/74/484597174.db2.gz NIMMCOAXTHTJQI-NEPJUHHUSA-N -1 0 356.452 -0.033 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](c3nnn[n-]3)C2)C1 ZINC000540423334 484597222 /nfs/dbraw/zinc/59/72/22/484597222.db2.gz NIMMCOAXTHTJQI-NWDGAFQWSA-N -1 0 356.452 -0.033 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@H](c3nnn[n-]3)C2)C1 ZINC000540423336 484596984 /nfs/dbraw/zinc/59/69/84/484596984.db2.gz NIMMCOAXTHTJQI-RYUDHWBXSA-N -1 0 356.452 -0.033 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)C1 ZINC000540423337 484596970 /nfs/dbraw/zinc/59/69/70/484596970.db2.gz NIMMCOAXTHTJQI-VXGBXAGGSA-N -1 0 356.452 -0.033 20 0 FBADRM CC(C)[C@@H](C(=O)N1CCC[C@@H](c2nnn[n-]2)C1)N1CCCS1(=O)=O ZINC000540423465 484597341 /nfs/dbraw/zinc/59/73/41/484597341.db2.gz PCEAOQNMEROOMU-NEPJUHHUSA-N -1 0 356.452 -0.034 20 0 FBADRM CC(C)[C@H](C(=O)N1CCC[C@H](c2nnn[n-]2)C1)N1CCCS1(=O)=O ZINC000540423467 484597732 /nfs/dbraw/zinc/59/77/32/484597732.db2.gz PCEAOQNMEROOMU-NWDGAFQWSA-N -1 0 356.452 -0.034 20 0 FBADRM CC(C)[C@@H](C(=O)N1CCC[C@H](c2nnn[n-]2)C1)N1CCCS1(=O)=O ZINC000540423468 484597025 /nfs/dbraw/zinc/59/70/25/484597025.db2.gz PCEAOQNMEROOMU-RYUDHWBXSA-N -1 0 356.452 -0.034 20 0 FBADRM CC(C)[C@H](C(=O)N1CCC[C@@H](c2nnn[n-]2)C1)N1CCCS1(=O)=O ZINC000540423470 484597277 /nfs/dbraw/zinc/59/72/77/484597277.db2.gz PCEAOQNMEROOMU-VXGBXAGGSA-N -1 0 356.452 -0.034 20 0 FBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)O1 ZINC000540428937 484597697 /nfs/dbraw/zinc/59/76/97/484597697.db2.gz AAMMPEFQRZAGPO-GXSJLCMTSA-N -1 0 361.358 -0.198 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)O1 ZINC000540428940 484596776 /nfs/dbraw/zinc/59/67/76/484596776.db2.gz AAMMPEFQRZAGPO-KOLCDFICSA-N -1 0 361.358 -0.198 20 0 FBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)O1 ZINC000540428942 484597207 /nfs/dbraw/zinc/59/72/07/484597207.db2.gz AAMMPEFQRZAGPO-MWLCHTKSSA-N -1 0 361.358 -0.198 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)O1 ZINC000540428943 484596612 /nfs/dbraw/zinc/59/66/12/484596612.db2.gz AAMMPEFQRZAGPO-ONGXEEELSA-N -1 0 361.358 -0.198 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCSC[C@H]3CO)cc-2c(=O)[n-]1 ZINC000540464918 484598518 /nfs/dbraw/zinc/59/85/18/484598518.db2.gz XFLXENNIXBMSSF-SSDOTTSWSA-N -1 0 358.401 -0.466 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCSC[C@@H]3CO)cc-2c(=O)[n-]1 ZINC000540464919 484598740 /nfs/dbraw/zinc/59/87/40/484598740.db2.gz XFLXENNIXBMSSF-ZETCQYMHSA-N -1 0 358.401 -0.466 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]c1ccnc(C(=O)N2CCN(C)CC2)c1 ZINC000540563326 484601651 /nfs/dbraw/zinc/60/16/51/484601651.db2.gz JOFSTIAQNFAGPA-UHFFFAOYSA-N -1 0 364.431 -0.575 20 0 FBADRM Cn1c(=O)[nH]cc(C(=O)NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])c1=O ZINC000540670014 484603698 /nfs/dbraw/zinc/60/36/98/484603698.db2.gz VAVLCARQXZRUPX-LLVKDONJSA-N -1 0 351.290 -0.113 20 0 FBADRM Cn1c(=O)[nH]cc(C(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])c1=O ZINC000540670016 484603193 /nfs/dbraw/zinc/60/31/93/484603193.db2.gz VAVLCARQXZRUPX-NSHDSACASA-N -1 0 351.290 -0.113 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000540675706 484603334 /nfs/dbraw/zinc/60/33/34/484603334.db2.gz QPVPUZJUDAKFKK-CYBMUJFWSA-N -1 0 363.370 -0.383 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000540675711 484604993 /nfs/dbraw/zinc/60/49/93/484604993.db2.gz QPVPUZJUDAKFKK-ZDUSSCGKSA-N -1 0 363.370 -0.383 20 0 FBADRM COC(=O)c1ccncc1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000540696277 484604711 /nfs/dbraw/zinc/60/47/11/484604711.db2.gz KETQTMAZLSELLI-UHFFFAOYSA-N -1 0 354.344 -0.934 20 0 FBADRM COC(=O)c1cncc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000540697389 484605218 /nfs/dbraw/zinc/60/52/18/484605218.db2.gz RCSZOINZQVTHOI-UHFFFAOYSA-N -1 0 354.344 -0.934 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC000540703633 484604631 /nfs/dbraw/zinc/60/46/31/484604631.db2.gz LLJDTCOMLVIPIR-UHFFFAOYSA-N -1 0 374.415 -0.035 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000540707212 484604482 /nfs/dbraw/zinc/60/44/82/484604482.db2.gz YCTAXYOCOVWESW-UHFFFAOYSA-N -1 0 352.409 -0.966 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000540707231 484605088 /nfs/dbraw/zinc/60/50/88/484605088.db2.gz ZFQARFQYEVJAQC-CYBMUJFWSA-N -1 0 373.312 -0.218 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000540707232 484604613 /nfs/dbraw/zinc/60/46/13/484604613.db2.gz ZFQARFQYEVJAQC-ZDUSSCGKSA-N -1 0 373.312 -0.218 20 0 FBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000540775040 484606510 /nfs/dbraw/zinc/60/65/10/484606510.db2.gz SYRZXGSAQUKNNP-NEPJUHHUSA-N -1 0 351.403 -0.221 20 0 FBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000540775042 484606675 /nfs/dbraw/zinc/60/66/75/484606675.db2.gz SYRZXGSAQUKNNP-NWDGAFQWSA-N -1 0 351.403 -0.221 20 0 FBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000540775043 484605912 /nfs/dbraw/zinc/60/59/12/484605912.db2.gz SYRZXGSAQUKNNP-RYUDHWBXSA-N -1 0 351.403 -0.221 20 0 FBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000540775045 484605918 /nfs/dbraw/zinc/60/59/18/484605918.db2.gz SYRZXGSAQUKNNP-VXGBXAGGSA-N -1 0 351.403 -0.221 20 0 FBADRM O=C(NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)c1cn[nH]n1 ZINC000540813920 484606134 /nfs/dbraw/zinc/60/61/34/484606134.db2.gz QADFUDINOBHJQB-UHFFFAOYSA-N -1 0 365.371 -0.621 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)c(=O)n(C)c1=O ZINC000540902783 484607116 /nfs/dbraw/zinc/60/71/16/484607116.db2.gz YVSIBFDOMPMJSU-UHFFFAOYSA-N -1 0 363.359 -0.935 20 0 FBADRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1C(N)=O ZINC000540924216 484609788 /nfs/dbraw/zinc/60/97/88/484609788.db2.gz PBWSOLKRJBZWKI-UHFFFAOYSA-N -1 0 351.344 -0.051 20 0 FBADRM COc1ccc(-n2cc([O-])c(C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)n2)cc1 ZINC000540925997 484609308 /nfs/dbraw/zinc/60/93/08/484609308.db2.gz SVVXYVSGTPTVRT-GFCCVEGCSA-N -1 0 371.353 -0.037 20 0 FBADRM COc1ccc(-n2cc([O-])c(C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)n2)cc1 ZINC000540925998 484609744 /nfs/dbraw/zinc/60/97/44/484609744.db2.gz SVVXYVSGTPTVRT-LBPRGKRZSA-N -1 0 371.353 -0.037 20 0 FBADRM C[C@@H](NC(=O)c1cccc2n[nH]nc21)C(=O)N1CCS(=O)(=O)CC1 ZINC000540963418 484610305 /nfs/dbraw/zinc/61/03/05/484610305.db2.gz OMCBIUNMXBAZSZ-SECBINFHSA-N -1 0 351.388 -0.667 20 0 FBADRM C[C@H](NC(=O)c1cccc2n[nH]nc21)C(=O)N1CCS(=O)(=O)CC1 ZINC000540963419 484610697 /nfs/dbraw/zinc/61/06/97/484610697.db2.gz OMCBIUNMXBAZSZ-VIFPVBQESA-N -1 0 351.388 -0.667 20 0 FBADRM CC(=O)NCCN(C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)[C@H](C)C(=O)[O-] ZINC000540966325 484610981 /nfs/dbraw/zinc/61/09/81/484610981.db2.gz PQAXALKNDYOBMQ-SECBINFHSA-N -1 0 374.419 -0.684 20 0 FBADRM CC(=O)NCCN(C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)[C@@H](C)C(=O)[O-] ZINC000540966326 484611135 /nfs/dbraw/zinc/61/11/35/484611135.db2.gz PQAXALKNDYOBMQ-VIFPVBQESA-N -1 0 374.419 -0.684 20 0 FBADRM CCOC(=O)c1cc(=NC(=O)Cc2c(C)nc3nc(N)nn3c2C)[nH][n-]1 ZINC000540975777 484507272 /nfs/dbraw/zinc/50/72/72/484507272.db2.gz KJASFUOWXKHZRV-UHFFFAOYSA-N -1 0 358.362 -0.174 20 0 FBADRM COc1ccc(-n2cc([O-])c(C(=O)NC[C@@H](C)S(N)(=O)=O)n2)cc1 ZINC000541064854 484617271 /nfs/dbraw/zinc/61/72/71/484617271.db2.gz YZKMNLIQGOYCQG-SECBINFHSA-N -1 0 354.388 -0.007 20 0 FBADRM COc1ccc(-n2cc([O-])c(C(=O)NC[C@H](C)S(N)(=O)=O)n2)cc1 ZINC000541064857 484616797 /nfs/dbraw/zinc/61/67/97/484616797.db2.gz YZKMNLIQGOYCQG-VIFPVBQESA-N -1 0 354.388 -0.007 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(F)cc(C(=O)OC)c2)n1 ZINC000541069575 484616634 /nfs/dbraw/zinc/61/66/34/484616634.db2.gz FVCSBVNBSRGJEV-UHFFFAOYSA-N -1 0 371.350 -0.249 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2OC)cn1 ZINC000541124335 484617920 /nfs/dbraw/zinc/61/79/20/484617920.db2.gz KJRLWDBJCBMIJW-UHFFFAOYSA-N -1 0 368.371 -0.036 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@H]1CCCCS1(=O)=O ZINC000541309585 484620621 /nfs/dbraw/zinc/62/06/21/484620621.db2.gz BCLJVIXPPMVYPO-SECBINFHSA-N -1 0 365.433 -0.168 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000541309586 484620717 /nfs/dbraw/zinc/62/07/17/484620717.db2.gz BCLJVIXPPMVYPO-VIFPVBQESA-N -1 0 365.433 -0.168 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCC[C@@H]3CCOC3)cnc21 ZINC000541324536 484621334 /nfs/dbraw/zinc/62/13/34/484621334.db2.gz JZRITITWFPNAQT-SECBINFHSA-N -1 0 354.388 -0.261 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCC[C@H]3CCOC3)cnc21 ZINC000541324539 484621278 /nfs/dbraw/zinc/62/12/78/484621278.db2.gz JZRITITWFPNAQT-VIFPVBQESA-N -1 0 354.388 -0.261 20 0 FBADRM COC(=O)CCN1CC[C@@H](NC(=O)NCc2cnc(C)[nH]c2=O)C1=O ZINC000541344738 484620671 /nfs/dbraw/zinc/62/06/71/484620671.db2.gz LKFPFXZDZMSAMX-LLVKDONJSA-N -1 0 351.363 -0.546 20 0 FBADRM COC(=O)CCN1CC[C@H](NC(=O)NCc2cnc(C)[nH]c2=O)C1=O ZINC000541344747 484621440 /nfs/dbraw/zinc/62/14/40/484621440.db2.gz LKFPFXZDZMSAMX-NSHDSACASA-N -1 0 351.363 -0.546 20 0 FBADRM Cc1ncc(CNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c(=O)[nH]1 ZINC000541353873 484621225 /nfs/dbraw/zinc/62/12/25/484621225.db2.gz LJHMCKPMMJOTLI-UHFFFAOYSA-N -1 0 370.369 -0.064 20 0 FBADRM Cc1ncc(CNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)c(=O)[nH]1 ZINC000541356435 484621061 /nfs/dbraw/zinc/62/10/61/484621061.db2.gz WVVKSQCOLVQURQ-UHFFFAOYSA-N -1 0 354.330 -0.279 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)COCCNC(=O)c2ccccc2)n[n-]1 ZINC000541515364 484625340 /nfs/dbraw/zinc/62/53/40/484625340.db2.gz OQVGNHUUPPBLGW-UHFFFAOYSA-N -1 0 367.387 -0.407 20 0 FBADRM COCc1nc(=NC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)s[n-]1 ZINC000541527397 484625350 /nfs/dbraw/zinc/62/53/50/484625350.db2.gz XGMRAZMXPSRBGW-UHFFFAOYSA-N -1 0 374.448 -0.545 20 0 FBADRM CNC(=O)CN(C)C(=O)C(=O)N=c1nc(-c2cccc(OC)c2)[n-]s1 ZINC000541674418 484628712 /nfs/dbraw/zinc/62/87/12/484628712.db2.gz BYLXKDXZRBTQDH-UHFFFAOYSA-N -1 0 363.399 -0.222 20 0 FBADRM COc1cccc(-c2nc(=NC(=O)C(=O)NCCCC(N)=O)s[n-]2)c1 ZINC000541674958 484628822 /nfs/dbraw/zinc/62/88/22/484628822.db2.gz MPZHCKXHADCQHA-UHFFFAOYSA-N -1 0 363.399 -0.044 20 0 FBADRM COc1cccc(-c2nc(=NC(=O)C(=O)NC(CO)CO)s[n-]2)c1 ZINC000541698576 484628600 /nfs/dbraw/zinc/62/86/00/484628600.db2.gz ADJUYARXJIEYSR-UHFFFAOYSA-N -1 0 352.372 -0.957 20 0 FBADRM COc1cccc(-c2nc(=NC(=O)C(=O)NCCNC(C)=O)s[n-]2)c1 ZINC000541704429 484629226 /nfs/dbraw/zinc/62/92/26/484629226.db2.gz FXLYKLPFJMUMBQ-UHFFFAOYSA-N -1 0 363.399 -0.174 20 0 FBADRM COc1cc(C(=O)N[C@H]2CNC(=O)C2)cc([N-]S(C)(=O)=O)c1OC ZINC000541708051 484629309 /nfs/dbraw/zinc/62/93/09/484629309.db2.gz RMEVGHOBHXSFAW-SECBINFHSA-N -1 0 357.388 -0.306 20 0 FBADRM COc1cc(C(=O)N[C@@H]2CNC(=O)C2)cc([N-]S(C)(=O)=O)c1OC ZINC000541708052 484629160 /nfs/dbraw/zinc/62/91/60/484629160.db2.gz RMEVGHOBHXSFAW-VIFPVBQESA-N -1 0 357.388 -0.306 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@@H]2CNC(=O)C2)c1 ZINC000541709122 484629969 /nfs/dbraw/zinc/62/99/69/484629969.db2.gz XQLYLTKBSLPKQV-JTQLQIEISA-N -1 0 354.388 -0.365 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@H]2CNC(=O)C2)c1 ZINC000541709123 484630519 /nfs/dbraw/zinc/63/05/19/484630519.db2.gz XQLYLTKBSLPKQV-SNVBAGLBSA-N -1 0 354.388 -0.365 20 0 FBADRM CC(C)[C@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)N1CCCS1(=O)=O ZINC000541759482 484630370 /nfs/dbraw/zinc/63/03/70/484630370.db2.gz QUSFWPTZGCQVBL-MRVPVSSYSA-N -1 0 365.437 -0.793 20 0 FBADRM CC(C)[C@@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)N1CCCS1(=O)=O ZINC000541759485 484630143 /nfs/dbraw/zinc/63/01/43/484630143.db2.gz QUSFWPTZGCQVBL-QMMMGPOBSA-N -1 0 365.437 -0.793 20 0 FBADRM COc1cc(C(=O)N2CC(=O)N(C)C2)cc([N-]S(C)(=O)=O)c1OC ZINC000541823716 484631687 /nfs/dbraw/zinc/63/16/87/484631687.db2.gz PAAABOPLORKXQC-UHFFFAOYSA-N -1 0 357.388 -0.053 20 0 FBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000541931819 484636375 /nfs/dbraw/zinc/63/63/75/484636375.db2.gz BWJDSZUMRCCYSN-KCJUWKMLSA-N -1 0 364.401 -0.803 20 0 FBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2cccc(-c3nnnn3C)c2)C1 ZINC000541936163 484636561 /nfs/dbraw/zinc/63/65/61/484636561.db2.gz REYCVOUZTKFFHQ-PWSUYJOCSA-N -1 0 367.387 -0.260 20 0 FBADRM COc1cccc(C(=O)NCC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1 ZINC000542099478 484642272 /nfs/dbraw/zinc/64/22/72/484642272.db2.gz VDMIIQUPJIRKLR-UHFFFAOYSA-N -1 0 353.360 -0.415 20 0 FBADRM CCOC(=O)c1cn(C)nc1[N-]S(=O)(=O)c1cnn(CC(=O)OC)c1 ZINC000542219352 484643651 /nfs/dbraw/zinc/64/36/51/484643651.db2.gz PXNMWXQICYFIEN-UHFFFAOYSA-N -1 0 371.375 -0.233 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3C[C@@H]4CC[C@@H](O)[C@H]4C3)cc-2c(=O)[n-]1 ZINC000542239369 484644114 /nfs/dbraw/zinc/64/41/14/484644114.db2.gz DSTGRGFHKILJJS-BKDNQFJXSA-N -1 0 352.372 -0.173 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)cc-2c(=O)[n-]1 ZINC000542239370 484643630 /nfs/dbraw/zinc/64/36/30/484643630.db2.gz DSTGRGFHKILJJS-SWPVVBRQSA-N -1 0 352.372 -0.173 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3C[C@@H]4CC[C@@H](O)[C@@H]4C3)cc-2c(=O)[n-]1 ZINC000542239371 484643578 /nfs/dbraw/zinc/64/35/78/484643578.db2.gz DSTGRGFHKILJJS-WHGOUJPWSA-N -1 0 352.372 -0.173 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)cc-2c(=O)[n-]1 ZINC000542239373 484645256 /nfs/dbraw/zinc/64/52/56/484645256.db2.gz DSTGRGFHKILJJS-XROYCOCOSA-N -1 0 352.372 -0.173 20 0 FBADRM COCc1nc(=NC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)s[n-]1 ZINC000542246570 484645720 /nfs/dbraw/zinc/64/57/20/484645720.db2.gz BHBIULONPPYRPI-UHFFFAOYSA-N -1 0 364.387 -0.903 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NCc1cnc(C)[nH]c1=O ZINC000542285828 484411885 /nfs/dbraw/zinc/41/18/85/484411885.db2.gz YWCSXPMRBILAOK-UHFFFAOYSA-N -1 0 362.346 -0.344 20 0 FBADRM COCc1nc(=NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)s[n-]1 ZINC000542457061 484647887 /nfs/dbraw/zinc/64/78/87/484647887.db2.gz DRQZLVZGCABUFV-SSDOTTSWSA-N -1 0 360.421 -0.855 20 0 FBADRM COCc1nc(=NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)s[n-]1 ZINC000542457062 484649761 /nfs/dbraw/zinc/64/97/61/484649761.db2.gz DRQZLVZGCABUFV-ZETCQYMHSA-N -1 0 360.421 -0.855 20 0 FBADRM COCc1nc(=NC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)s[n-]1 ZINC000542457082 484649668 /nfs/dbraw/zinc/64/96/68/484649668.db2.gz GRJUNVPUUYJYGW-UHFFFAOYSA-N -1 0 360.421 -0.935 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@H]2CCCCS2(=O)=O)s1 ZINC000542502093 484649698 /nfs/dbraw/zinc/64/96/98/484649698.db2.gz JIEFWYAAOVDPEH-LURJTMIESA-N -1 0 354.435 -0.185 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@H]2CCCCS2(=O)=O)s1 ZINC000542502096 484649877 /nfs/dbraw/zinc/64/98/77/484649877.db2.gz JIEFWYAAOVDPEH-ZCFIWIBFSA-N -1 0 354.435 -0.185 20 0 FBADRM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)nc1 ZINC000542516471 484649192 /nfs/dbraw/zinc/64/91/92/484649192.db2.gz JSGWWBOCQHUQFY-UHFFFAOYSA-N -1 0 373.416 -0.772 20 0 FBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)N=c1nc(-c2cccc(OC)c2)[n-]s1 ZINC000542624289 484652048 /nfs/dbraw/zinc/65/20/48/484652048.db2.gz GSBUUDMCOYFFDM-MRVPVSSYSA-N -1 0 363.399 -0.175 20 0 FBADRM COc1cccc(-c2nc(=NC(=O)C(=O)NCC(=O)N(C)C)s[n-]2)c1 ZINC000542635345 484652522 /nfs/dbraw/zinc/65/25/22/484652522.db2.gz YJXYKPNBWSMFAX-UHFFFAOYSA-N -1 0 363.399 -0.222 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@H]3CNC(=O)C3)cc2)[n-]1 ZINC000542638632 484651799 /nfs/dbraw/zinc/65/17/99/484651799.db2.gz PAKPXTNYGVXTHA-GFCCVEGCSA-N -1 0 358.354 -0.501 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H]3CNC(=O)C3)cc2)[n-]1 ZINC000542638635 484652711 /nfs/dbraw/zinc/65/27/11/484652711.db2.gz PAKPXTNYGVXTHA-LBPRGKRZSA-N -1 0 358.354 -0.501 20 0 FBADRM CCS(=O)(=O)N1CCC(CNC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000542663000 484651979 /nfs/dbraw/zinc/65/19/79/484651979.db2.gz OUJZCLRWZDZCKK-UHFFFAOYSA-N -1 0 358.420 -0.723 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2nc(OC)cc(OC)n2)cn1 ZINC000542711634 484653826 /nfs/dbraw/zinc/65/38/26/484653826.db2.gz LPCXYQZSKTZHHY-UHFFFAOYSA-N -1 0 357.348 -0.336 20 0 FBADRM COc1cncc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])c1 ZINC000542841270 484658215 /nfs/dbraw/zinc/65/82/15/484658215.db2.gz IAZMOECHJCLQDE-SECBINFHSA-N -1 0 364.401 -0.647 20 0 FBADRM COc1cncc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])c1 ZINC000542841271 484658383 /nfs/dbraw/zinc/65/83/83/484658383.db2.gz IAZMOECHJCLQDE-VIFPVBQESA-N -1 0 364.401 -0.647 20 0 FBADRM NC(=O)c1cc(Cl)cc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC000542841451 484658103 /nfs/dbraw/zinc/65/81/03/484658103.db2.gz GCKMSMXJAHSAJC-UHFFFAOYSA-N -1 0 373.778 -0.293 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1OC ZINC000542842116 484658143 /nfs/dbraw/zinc/65/81/43/484658143.db2.gz WHAZHRNAPWSGRV-UHFFFAOYSA-N -1 0 374.371 -0.649 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])C1 ZINC000542859709 484658198 /nfs/dbraw/zinc/65/81/98/484658198.db2.gz XMIIGBMDZZRJEI-TUAOUCFPSA-N -1 0 364.420 -0.320 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)NCCc1cccc(C(=O)[O-])n1 ZINC000542862531 484658094 /nfs/dbraw/zinc/65/80/94/484658094.db2.gz CINSSHSXBUOTLT-UHFFFAOYSA-N -1 0 350.418 -0.324 20 0 FBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C1 ZINC000542864827 484657438 /nfs/dbraw/zinc/65/74/38/484657438.db2.gz OIWFLEDUKRDLEF-YPMHNXCESA-N -1 0 360.432 -0.109 20 0 FBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000542865516 484657900 /nfs/dbraw/zinc/65/79/00/484657900.db2.gz JDAZCNIBCMWNDL-PWSUYJOCSA-N -1 0 353.360 -0.475 20 0 FBADRM COCc1nc(=NC(=O)CN(C)S(=O)(=O)c2cccnc2)s[n-]1 ZINC000543175720 484667454 /nfs/dbraw/zinc/66/74/54/484667454.db2.gz YZYZINDUGDIBPT-UHFFFAOYSA-N -1 0 357.417 -0.239 20 0 FBADRM COc1cccc(-c2nc(=NC(=O)C(=O)NCCn3ncnn3)s[n-]2)c1 ZINC000543529898 484674255 /nfs/dbraw/zinc/67/42/55/484674255.db2.gz PDOYOUZIGBVUHL-UHFFFAOYSA-N -1 0 374.386 -0.623 20 0 FBADRM COc1cccc(-c2nc(=NC(=O)C(=O)NCCn3cncn3)s[n-]2)c1 ZINC000543553297 484674047 /nfs/dbraw/zinc/67/40/47/484674047.db2.gz KTUCIKMEHQOYGH-UHFFFAOYSA-N -1 0 373.398 -0.018 20 0 FBADRM O=C(N=c1ncn(C2CCCCC2)[n-]1)C(=O)NCCNc1cnccn1 ZINC000543556156 484673984 /nfs/dbraw/zinc/67/39/84/484673984.db2.gz ITPVQORCRLAWIB-UHFFFAOYSA-N -1 0 358.406 -0.416 20 0 FBADRM O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)N[C@]1(CO)CCOC1 ZINC000543603785 484675839 /nfs/dbraw/zinc/67/58/39/484675839.db2.gz RWOBDCTXTOICQK-AWEZNQCLSA-N -1 0 364.370 -0.099 20 0 FBADRM O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)N[C@@]1(CO)CCOC1 ZINC000543603794 484675929 /nfs/dbraw/zinc/67/59/29/484675929.db2.gz RWOBDCTXTOICQK-CQSZACIVSA-N -1 0 364.370 -0.099 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2c(C(=O)N[C@]3(CO)CCOC3)cc(C3CC3)nc21 ZINC000543604352 484676251 /nfs/dbraw/zinc/67/62/51/484676251.db2.gz ZWIFRBAKUOHSQX-KRWDZBQOSA-N -1 0 360.370 -0.207 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@]3(CO)CCOC3)cc(C3CC3)nc21 ZINC000543604353 484675499 /nfs/dbraw/zinc/67/54/99/484675499.db2.gz ZWIFRBAKUOHSQX-QGZVFWFLSA-N -1 0 360.370 -0.207 20 0 FBADRM CCN1CCN(C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC1=O ZINC000543612140 484675783 /nfs/dbraw/zinc/67/57/83/484675783.db2.gz WHQVWDJMCGPAJQ-UHFFFAOYSA-N -1 0 357.436 -0.912 20 0 FBADRM COc1cc(OC)nc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)n1 ZINC000543639489 660514753 /nfs/dbraw/zinc/51/47/53/660514753.db2.gz FVIKOHPJCGSIMH-UHFFFAOYSA-N -1 0 374.400 -0.058 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCN4CCOC[C@H]4C3)cc-2c(=O)[n-]1 ZINC000543688431 484677190 /nfs/dbraw/zinc/67/71/90/484677190.db2.gz YZZJZAVPAXREPF-SECBINFHSA-N -1 0 367.387 -0.859 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCN4CCOC[C@@H]4C3)cc-2c(=O)[n-]1 ZINC000543688432 484677415 /nfs/dbraw/zinc/67/74/15/484677415.db2.gz YZZJZAVPAXREPF-VIFPVBQESA-N -1 0 367.387 -0.859 20 0 FBADRM C[C@H](CN(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1nnn[n-]1 ZINC000543700752 484677400 /nfs/dbraw/zinc/67/74/00/484677400.db2.gz KJQUNKZUFNKSFX-MRVPVSSYSA-N -1 0 358.362 -0.979 20 0 FBADRM C[C@@H](CN(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1nnn[n-]1 ZINC000543700761 484677330 /nfs/dbraw/zinc/67/73/30/484677330.db2.gz KJQUNKZUFNKSFX-QMMMGPOBSA-N -1 0 358.362 -0.979 20 0 FBADRM O=C(CN1CCN(C(=O)c2cccc3n[nH]nc32)CC1)N1CCOCC1 ZINC000543749434 484678832 /nfs/dbraw/zinc/67/88/32/484678832.db2.gz IYSUMDYVZJIZIY-UHFFFAOYSA-N -1 0 358.402 -0.426 20 0 FBADRM O=C(CN1CCOCC1)N1CCN(C(=O)c2cccc3n[nH]nc32)CC1 ZINC000543749843 484678297 /nfs/dbraw/zinc/67/82/97/484678297.db2.gz WUNPRKYCWRHCQD-UHFFFAOYSA-N -1 0 358.402 -0.426 20 0 FBADRM CC(=O)NCCN(C(=O)Cc1ccc(S(N)(=O)=O)cc1)[C@@H](C)C(=O)[O-] ZINC000543752344 484679589 /nfs/dbraw/zinc/67/95/89/484679589.db2.gz NXGDNAIOBVEHNZ-JTQLQIEISA-N -1 0 371.415 -0.686 20 0 FBADRM CC(=O)NCCN(C(=O)Cc1ccc(S(N)(=O)=O)cc1)[C@H](C)C(=O)[O-] ZINC000543752345 484679729 /nfs/dbraw/zinc/67/97/29/484679729.db2.gz NXGDNAIOBVEHNZ-SNVBAGLBSA-N -1 0 371.415 -0.686 20 0 FBADRM COc1cncc(S(=O)(=O)N2CC[C@@H](N3C[C@H](C(=O)[O-])CC3=O)C2)c1 ZINC000543769576 484680354 /nfs/dbraw/zinc/68/03/54/484680354.db2.gz SYGHHBMOYHTXQI-GHMZBOCLSA-N -1 0 369.399 -0.214 20 0 FBADRM COc1cncc(S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)[O-])CC3=O)C2)c1 ZINC000543769577 484679735 /nfs/dbraw/zinc/67/97/35/484679735.db2.gz SYGHHBMOYHTXQI-MNOVXSKESA-N -1 0 369.399 -0.214 20 0 FBADRM COc1cncc(S(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)c1 ZINC000543769578 484679403 /nfs/dbraw/zinc/67/94/03/484679403.db2.gz SYGHHBMOYHTXQI-QWRGUYRKSA-N -1 0 369.399 -0.214 20 0 FBADRM COc1cncc(S(=O)(=O)N2CC[C@@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)c1 ZINC000543769579 484679700 /nfs/dbraw/zinc/67/97/00/484679700.db2.gz SYGHHBMOYHTXQI-WDEREUQCSA-N -1 0 369.399 -0.214 20 0 FBADRM NC(=O)c1cc(Cl)cc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000543769692 484680042 /nfs/dbraw/zinc/68/00/42/484680042.db2.gz PREMOSGATJQCBR-UHFFFAOYSA-N -1 0 373.778 -0.407 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cc1OC ZINC000543769839 484680302 /nfs/dbraw/zinc/68/03/02/484680302.db2.gz HQTKXNXEDOSTSE-SNVBAGLBSA-N -1 0 374.371 -0.521 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-] ZINC000543784064 484681233 /nfs/dbraw/zinc/68/12/33/484681233.db2.gz BIQAYGLXXQBZEK-RQJHMYQMSA-N -1 0 350.374 -0.208 20 0 FBADRM Cn1cc(S(=O)(=O)NCCc2cccc(C(=O)[O-])n2)cc1C(N)=O ZINC000543784158 484681462 /nfs/dbraw/zinc/68/14/62/484681462.db2.gz FNXSFRPRXCZLDT-UHFFFAOYSA-N -1 0 352.372 -0.262 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)NCCc2cccc(C(=O)[O-])n2)cn1 ZINC000543790392 484680873 /nfs/dbraw/zinc/68/08/73/484680873.db2.gz JUDWPUAOTTYXCL-UHFFFAOYSA-N -1 0 368.371 -0.330 20 0 FBADRM Cn1c(C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000543995512 484687234 /nfs/dbraw/zinc/68/72/34/484687234.db2.gz ORCSJTHRHCKHJU-XTZNXHDOSA-N -1 0 374.397 -0.097 20 0 FBADRM Cn1c2c(ccn2CC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000544002322 484686882 /nfs/dbraw/zinc/68/68/82/484686882.db2.gz KZQCZOFXYQXLHH-BBATYDOGSA-N -1 0 374.397 -0.248 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cn1C ZINC000544002406 484686793 /nfs/dbraw/zinc/68/67/93/484686793.db2.gz MEHLIMXXFUHPJY-XHDPSFHLSA-N -1 0 370.431 -0.280 20 0 FBADRM CCOC(=O)c1ccc(N2CC(NC(=O)c3cnc([O-])n(C)c3=O)C2)nc1 ZINC000544242372 484692006 /nfs/dbraw/zinc/69/20/06/484692006.db2.gz IEGXLSOPHTUCEA-UHFFFAOYSA-N -1 0 373.369 -0.324 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000544259104 483774310 /nfs/dbraw/zinc/77/43/10/483774310.db2.gz YASZMCNYAJDLDS-SECBINFHSA-N -1 0 350.335 -0.635 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000544259105 483774271 /nfs/dbraw/zinc/77/42/71/483774271.db2.gz YASZMCNYAJDLDS-VIFPVBQESA-N -1 0 350.335 -0.635 20 0 FBADRM NS(=O)(=O)[C@H]1CCCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C1 ZINC000544400782 484694206 /nfs/dbraw/zinc/69/42/06/484694206.db2.gz MJOQJRYVKYKQPL-JTQLQIEISA-N -1 0 358.445 -0.239 20 0 FBADRM NS(=O)(=O)[C@@H]1CCCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C1 ZINC000544400793 484693992 /nfs/dbraw/zinc/69/39/92/484693992.db2.gz MJOQJRYVKYKQPL-SNVBAGLBSA-N -1 0 358.445 -0.239 20 0 FBADRM COCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000544406918 484694635 /nfs/dbraw/zinc/69/46/35/484694635.db2.gz SEKBAWSRJIIDAN-UHFFFAOYSA-N -1 0 365.433 -0.509 20 0 FBADRM CC(=O)Nc1cccnc1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000544407028 484694432 /nfs/dbraw/zinc/69/44/32/484694432.db2.gz BPJONEZTYYDENZ-UHFFFAOYSA-N -1 0 353.360 -0.762 20 0 FBADRM CNC(=O)CCNC(=O)C(=O)N=c1nc(-c2cccc(OC)c2)[n-]s1 ZINC000544501992 484695654 /nfs/dbraw/zinc/69/56/54/484695654.db2.gz AWKXKHOMYGXTGS-UHFFFAOYSA-N -1 0 363.399 -0.174 20 0 FBADRM Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)N[C@H]2CNC(=O)C2)cn1 ZINC000544543733 484695973 /nfs/dbraw/zinc/69/59/73/484695973.db2.gz YIXLZDINXQKGSZ-MRVPVSSYSA-N -1 0 369.428 -0.099 20 0 FBADRM Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)N[C@@H]2CNC(=O)C2)cn1 ZINC000544543735 484695696 /nfs/dbraw/zinc/69/56/96/484695696.db2.gz YIXLZDINXQKGSZ-QMMMGPOBSA-N -1 0 369.428 -0.099 20 0 FBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000544665219 484698757 /nfs/dbraw/zinc/69/87/57/484698757.db2.gz DSONZXPYJMRLAF-KBPBESRZSA-N -1 0 370.427 -0.256 20 0 FBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000544665232 484698386 /nfs/dbraw/zinc/69/83/86/484698386.db2.gz DSONZXPYJMRLAF-KGLIPLIRSA-N -1 0 370.427 -0.256 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000544685432 484699373 /nfs/dbraw/zinc/69/93/73/484699373.db2.gz SEBCUYJLEGWLLO-MRVPVSSYSA-N -1 0 354.392 -0.269 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000544685433 484699236 /nfs/dbraw/zinc/69/92/36/484699236.db2.gz SEBCUYJLEGWLLO-QMMMGPOBSA-N -1 0 354.392 -0.269 20 0 FBADRM CCO[C@@H]1COCC[C@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000544728199 484699882 /nfs/dbraw/zinc/69/98/82/484699882.db2.gz ZWNDPVMMNCXYLD-GHMZBOCLSA-N -1 0 370.387 -0.092 20 0 FBADRM CCO[C@H]1COCC[C@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000544728203 484700001 /nfs/dbraw/zinc/70/00/01/484700001.db2.gz ZWNDPVMMNCXYLD-MNOVXSKESA-N -1 0 370.387 -0.092 20 0 FBADRM CCO[C@H]1COCC[C@@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000544728205 484699433 /nfs/dbraw/zinc/69/94/33/484699433.db2.gz ZWNDPVMMNCXYLD-QWRGUYRKSA-N -1 0 370.387 -0.092 20 0 FBADRM CCO[C@@H]1COCC[C@@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000544728206 484699773 /nfs/dbraw/zinc/69/97/73/484699773.db2.gz ZWNDPVMMNCXYLD-WDEREUQCSA-N -1 0 370.387 -0.092 20 0 FBADRM CN=c1[n-]nc(CC(=O)N[C@H](CC(C)C)C(=O)N=c2cc[nH][nH]2)s1 ZINC000544736626 484700970 /nfs/dbraw/zinc/70/09/70/484700970.db2.gz BGBCEAUQAYNMSD-SECBINFHSA-N -1 0 351.436 -0.141 20 0 FBADRM CN=c1[n-]nc(CC(=O)N[C@@H](CC(C)C)C(=O)N=c2cc[nH][nH]2)s1 ZINC000544736633 484701445 /nfs/dbraw/zinc/70/14/45/484701445.db2.gz BGBCEAUQAYNMSD-VIFPVBQESA-N -1 0 351.436 -0.141 20 0 FBADRM CN=c1[n-]nc(CC(=O)N=c2ccn(CCN3CCOCC3)[nH]2)s1 ZINC000544740973 484700576 /nfs/dbraw/zinc/70/05/76/484700576.db2.gz MIOZQKIUIGXDKK-UHFFFAOYSA-N -1 0 351.436 -0.867 20 0 FBADRM COc1cc(C(=O)N(C)C[C@H](O)CO)cc([N-]S(C)(=O)=O)c1OC ZINC000544779550 484701022 /nfs/dbraw/zinc/70/10/22/484701022.db2.gz LDBGRIIBEAJMMQ-JTQLQIEISA-N -1 0 362.404 -0.500 20 0 FBADRM CN(C[C@H](O)CO)C(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C)c1 ZINC000544783681 484701576 /nfs/dbraw/zinc/70/15/76/484701576.db2.gz IVJSWTOYSSTKGO-JTQLQIEISA-N -1 0 374.444 -0.292 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ncn(CC(=O)OC)n2)cn1C ZINC000544846739 484703729 /nfs/dbraw/zinc/70/37/29/484703729.db2.gz ZSWLFNVYIHCFSB-UHFFFAOYSA-N -1 0 371.375 -0.233 20 0 FBADRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1C(N)=O ZINC000544847207 484704412 /nfs/dbraw/zinc/70/44/12/484704412.db2.gz XOFYVHOSRHVOJM-UHFFFAOYSA-N -1 0 364.387 -0.192 20 0 FBADRM CCS(=O)(=O)NCCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000544925589 484704989 /nfs/dbraw/zinc/70/49/89/484704989.db2.gz BXIBAPZQZHYFPC-UHFFFAOYSA-N -1 0 353.422 -0.669 20 0 FBADRM NC(=O)CN(CC(N)=O)S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000544925826 484705564 /nfs/dbraw/zinc/70/55/64/484705564.db2.gz MCAYWEVIEZVOBB-UHFFFAOYSA-N -1 0 369.399 -0.775 20 0 FBADRM NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)CCO1 ZINC000544929309 484705886 /nfs/dbraw/zinc/70/58/86/484705886.db2.gz KHWWASJUFMSZQN-CYBMUJFWSA-N -1 0 370.383 -0.391 20 0 FBADRM NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)CCO1 ZINC000544929311 484705330 /nfs/dbraw/zinc/70/53/30/484705330.db2.gz KHWWASJUFMSZQN-ZDUSSCGKSA-N -1 0 370.383 -0.391 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000544931050 484705700 /nfs/dbraw/zinc/70/57/00/484705700.db2.gz UBVDFDBISDRTBJ-SECBINFHSA-N -1 0 366.392 -0.035 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000544931051 484705550 /nfs/dbraw/zinc/70/55/50/484705550.db2.gz UBVDFDBISDRTBJ-VIFPVBQESA-N -1 0 366.392 -0.035 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000544936331 484705081 /nfs/dbraw/zinc/70/50/81/484705081.db2.gz CYOKZQGBYRZFIB-MRVPVSSYSA-N -1 0 354.431 -0.112 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000544936332 484705012 /nfs/dbraw/zinc/70/50/12/484705012.db2.gz CYOKZQGBYRZFIB-QMMMGPOBSA-N -1 0 354.431 -0.112 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCOCC(N)=O)c(C)c1OCC(=O)[O-] ZINC000544936688 484705695 /nfs/dbraw/zinc/70/56/95/484705695.db2.gz KLYBJJASEWNVMA-UHFFFAOYSA-N -1 0 360.388 -0.453 20 0 FBADRM NC(=O)CC1(NS(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)CCC1 ZINC000544937602 484704887 /nfs/dbraw/zinc/70/48/87/484704887.db2.gz WHJIAQAWSICSDN-UHFFFAOYSA-N -1 0 369.399 -0.423 20 0 FBADRM CCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000544938510 484705897 /nfs/dbraw/zinc/70/58/97/484705897.db2.gz FDSJGHGDWRVQCD-UHFFFAOYSA-N -1 0 365.433 -0.621 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)c1nc[nH]n1 ZINC000544938674 484705408 /nfs/dbraw/zinc/70/54/08/484705408.db2.gz NELWREZWUOXWTR-MRVPVSSYSA-N -1 0 353.360 -0.341 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)c1nc[nH]n1 ZINC000544938678 484705090 /nfs/dbraw/zinc/70/50/90/484705090.db2.gz NELWREZWUOXWTR-QMMMGPOBSA-N -1 0 353.360 -0.341 20 0 FBADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N1CC(OCC(=O)N(C)C)C1 ZINC000544939224 484705734 /nfs/dbraw/zinc/70/57/34/484705734.db2.gz ANVPEIRHEPHDDT-UHFFFAOYSA-N -1 0 372.399 -0.123 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC(OCC(=O)N(C)C)C2)cc1C(=O)[O-] ZINC000544939737 484705421 /nfs/dbraw/zinc/70/54/21/484705421.db2.gz NZQAFGRIANPYPF-UHFFFAOYSA-N -1 0 372.399 -0.129 20 0 FBADRM CC(=O)N1CCN(CCNS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)CC1 ZINC000544939830 484704863 /nfs/dbraw/zinc/70/48/63/484704863.db2.gz TZAOPKSTWZILPG-UHFFFAOYSA-N -1 0 373.406 -0.034 20 0 FBADRM CCCc1nc(=NC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)s[n-]1 ZINC000545259896 484713702 /nfs/dbraw/zinc/71/37/02/484713702.db2.gz SXLKALCKTYFLEZ-UHFFFAOYSA-N -1 0 362.415 -0.097 20 0 FBADRM CCCc1nc(=NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)s[n-]1 ZINC000545260535 484714028 /nfs/dbraw/zinc/71/40/28/484714028.db2.gz NSFZQLAAVJZMMQ-UHFFFAOYSA-N -1 0 363.403 -0.702 20 0 FBADRM C[C@@H]1CN(C(C)(C)CNC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C[C@H](C)O1 ZINC000545412869 484718292 /nfs/dbraw/zinc/71/82/92/484718292.db2.gz JQHDMBSECUEUBE-FRRDWIJNSA-N -1 0 367.450 -0.180 20 0 FBADRM C[C@@H]1CN(C(C)(C)CNC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)C[C@H](C)O1 ZINC000545412873 484718442 /nfs/dbraw/zinc/71/84/42/484718442.db2.gz JQHDMBSECUEUBE-XQQFMLRXSA-N -1 0 367.450 -0.180 20 0 FBADRM COc1cc(S(=O)(=O)N2CCO[C@@H](C(N)=O)C2)cc(C(=O)[O-])c1OC ZINC000545543940 484721092 /nfs/dbraw/zinc/72/10/92/484721092.db2.gz ALMGPPVMRWMAHF-LLVKDONJSA-N -1 0 374.371 -0.723 20 0 FBADRM COc1cc(S(=O)(=O)N2CCO[C@H](C(N)=O)C2)cc(C(=O)[O-])c1OC ZINC000545543943 484721799 /nfs/dbraw/zinc/72/17/99/484721799.db2.gz ALMGPPVMRWMAHF-NSHDSACASA-N -1 0 374.371 -0.723 20 0 FBADRM Cc1cc(S(=O)(=O)N2CCO[C@@H](C(N)=O)C2)ccc1OCC(=O)[O-] ZINC000545543965 484721453 /nfs/dbraw/zinc/72/14/53/484721453.db2.gz BDNRSAWSTOQJLB-GFCCVEGCSA-N -1 0 358.372 -0.667 20 0 FBADRM Cc1cc(S(=O)(=O)N2CCO[C@H](C(N)=O)C2)ccc1OCC(=O)[O-] ZINC000545543968 484721986 /nfs/dbraw/zinc/72/19/86/484721986.db2.gz BDNRSAWSTOQJLB-LBPRGKRZSA-N -1 0 358.372 -0.667 20 0 FBADRM NC(=O)N1CCCN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000545544578 484721845 /nfs/dbraw/zinc/72/18/45/484721845.db2.gz MYPKAXIYQSTSQG-UHFFFAOYSA-N -1 0 357.388 -0.075 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000545546523 484722177 /nfs/dbraw/zinc/72/21/77/484722177.db2.gz VVABSBUQDZIKLP-UHFFFAOYSA-N -1 0 358.372 -0.315 20 0 FBADRM CCn1cc(S(=O)(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1C(=O)[O-] ZINC000545549711 484722198 /nfs/dbraw/zinc/72/21/98/484722198.db2.gz HUHIJQTZHZMHLS-SECBINFHSA-N -1 0 365.433 -0.352 20 0 FBADRM CCn1cc(S(=O)(=O)N2CCC[C@H]2CS(N)(=O)=O)cc1C(=O)[O-] ZINC000545549712 484722237 /nfs/dbraw/zinc/72/22/37/484722237.db2.gz HUHIJQTZHZMHLS-VIFPVBQESA-N -1 0 365.433 -0.352 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000545550643 484721296 /nfs/dbraw/zinc/72/12/96/484721296.db2.gz ZWDITPFCEZGLJU-JTQLQIEISA-N -1 0 366.392 -0.035 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000545550644 484721472 /nfs/dbraw/zinc/72/14/72/484721472.db2.gz ZWDITPFCEZGLJU-SNVBAGLBSA-N -1 0 366.392 -0.035 20 0 FBADRM CCNC(=O)CN1CCN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)CC1 ZINC000545555906 484722141 /nfs/dbraw/zinc/72/21/41/484722141.db2.gz KISBKIJKIIVEMD-UHFFFAOYSA-N -1 0 373.406 -0.034 20 0 FBADRM CC(C)CN(CC(N)=O)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000545556821 484721548 /nfs/dbraw/zinc/72/15/48/484721548.db2.gz KJXOULHDVQCCTJ-UHFFFAOYSA-N -1 0 371.415 -0.367 20 0 FBADRM CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000545557057 484721456 /nfs/dbraw/zinc/72/14/56/484721456.db2.gz VHQPSFKBDRMIJJ-UHFFFAOYSA-N -1 0 357.388 -0.790 20 0 FBADRM CN(C)C(=O)COC1CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000545558577 484722013 /nfs/dbraw/zinc/72/20/13/484722013.db2.gz VTNFHZCLUQWQFD-UHFFFAOYSA-N -1 0 372.399 -0.372 20 0 FBADRM CCn1cnnc1CNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000545559174 484721322 /nfs/dbraw/zinc/72/13/22/484721322.db2.gz FFNUQEXBQWLDFR-UHFFFAOYSA-N -1 0 367.387 -0.409 20 0 FBADRM C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000545560445 484721499 /nfs/dbraw/zinc/72/14/99/484721499.db2.gz ODEFNPZRMXLVQZ-MRVPVSSYSA-N -1 0 356.356 -0.335 20 0 FBADRM C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000545560446 484721586 /nfs/dbraw/zinc/72/15/86/484721586.db2.gz ODEFNPZRMXLVQZ-QMMMGPOBSA-N -1 0 356.356 -0.335 20 0 FBADRM CCOC(=O)c1cc([N-]S(=O)(=O)c2cnn(CC(=O)OC)c2)[nH]n1 ZINC000545888328 484726650 /nfs/dbraw/zinc/72/66/50/484726650.db2.gz UIWUTQRCBPNOHO-UHFFFAOYSA-N -1 0 357.348 -0.243 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)c1 ZINC000545988947 484729979 /nfs/dbraw/zinc/72/99/79/484729979.db2.gz RQYIRUIEAWNIBB-HZMBPMFUSA-N -1 0 358.416 -0.542 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@H](CO)[C@H](O)C2)c1 ZINC000545988948 484729489 /nfs/dbraw/zinc/72/94/89/484729489.db2.gz RQYIRUIEAWNIBB-IINYFYTJSA-N -1 0 358.416 -0.542 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@H](CO)[C@H](O)C2)c1 ZINC000545988949 484729887 /nfs/dbraw/zinc/72/98/87/484729887.db2.gz RQYIRUIEAWNIBB-QMTHXVAHSA-N -1 0 358.416 -0.542 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@H](CO)[C@@H](O)C2)c1 ZINC000545988950 484729838 /nfs/dbraw/zinc/72/98/38/484729838.db2.gz RQYIRUIEAWNIBB-YGRLFVJLSA-N -1 0 358.416 -0.542 20 0 FBADRM CN1CC[C@H](NS(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)C1=O ZINC000546016764 484731540 /nfs/dbraw/zinc/73/15/40/484731540.db2.gz OVDGVBSBSAITQB-JTQLQIEISA-N -1 0 356.356 -0.335 20 0 FBADRM CN1CC[C@@H](NS(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)C1=O ZINC000546016765 484731708 /nfs/dbraw/zinc/73/17/08/484731708.db2.gz OVDGVBSBSAITQB-SNVBAGLBSA-N -1 0 356.356 -0.335 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2c(C(=O)NC[C@](C)(O)C(=O)[O-])cc(C3CC3)nc21 ZINC000546024351 484731642 /nfs/dbraw/zinc/73/16/42/484731642.db2.gz OZJZIYXRNXHTML-INIZCTEOSA-N -1 0 362.342 -0.523 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2c(C(=O)NC[C@@](C)(O)C(=O)[O-])cc(C3CC3)nc21 ZINC000546024352 484730910 /nfs/dbraw/zinc/73/09/10/484730910.db2.gz OZJZIYXRNXHTML-MRXNPFEDSA-N -1 0 362.342 -0.523 20 0 FBADRM C[C@H](CN(C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1nnn[n-]1 ZINC000546038961 484731145 /nfs/dbraw/zinc/73/11/45/484731145.db2.gz RGTHBFQTONCXNH-MRVPVSSYSA-N -1 0 358.362 -0.979 20 0 FBADRM C[C@@H](CN(C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1nnn[n-]1 ZINC000546038972 484731372 /nfs/dbraw/zinc/73/13/72/484731372.db2.gz RGTHBFQTONCXNH-QMMMGPOBSA-N -1 0 358.362 -0.979 20 0 FBADRM O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(=O)n2[nH]cnc2n1 ZINC000546089628 484733141 /nfs/dbraw/zinc/73/31/41/484733141.db2.gz SAXLDXGWZZAVIN-GOSISDBHSA-N -1 0 368.397 -0.216 20 0 FBADRM O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(=O)n2[nH]cnc2n1 ZINC000546089629 484732137 /nfs/dbraw/zinc/73/21/37/484732137.db2.gz SAXLDXGWZZAVIN-SFHVURJKSA-N -1 0 368.397 -0.216 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ncn(CC(=O)NC)n2)cn1C ZINC000546179701 484735366 /nfs/dbraw/zinc/73/53/66/484735366.db2.gz HUPVIIUAABCIKO-UHFFFAOYSA-N -1 0 370.391 -0.660 20 0 FBADRM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)NCCNC(=O)N(C)C ZINC000546252966 484737529 /nfs/dbraw/zinc/73/75/29/484737529.db2.gz CXYHLMWOYGSBTQ-UHFFFAOYSA-N -1 0 359.404 -0.128 20 0 FBADRM CN1CN(S(=O)(=O)c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)CC1=O ZINC000546262764 484737737 /nfs/dbraw/zinc/73/77/37/484737737.db2.gz SZXZBOJHNJKFQG-JTQLQIEISA-N -1 0 367.383 -0.456 20 0 FBADRM CN1CN(S(=O)(=O)c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)CC1=O ZINC000546262770 484737592 /nfs/dbraw/zinc/73/75/92/484737592.db2.gz SZXZBOJHNJKFQG-SNVBAGLBSA-N -1 0 367.383 -0.456 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1C(=O)[O-] ZINC000546264821 484737623 /nfs/dbraw/zinc/73/76/23/484737623.db2.gz HCWDWCWNQPFYFQ-MRVPVSSYSA-N -1 0 351.406 -0.835 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC[C@H]2CS(N)(=O)=O)cc1C(=O)[O-] ZINC000546264825 484736806 /nfs/dbraw/zinc/73/68/06/484736806.db2.gz HCWDWCWNQPFYFQ-QMMMGPOBSA-N -1 0 351.406 -0.835 20 0 FBADRM CCn1cc(S(=O)(=O)N2CC(OCC(=O)N(C)C)C2)cc1C(=O)[O-] ZINC000546264976 484736761 /nfs/dbraw/zinc/73/67/61/484736761.db2.gz MYEAJRLMWMBDKA-UHFFFAOYSA-N -1 0 359.404 -0.316 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCSC[C@@H]1C(N)=O ZINC000546265423 484736794 /nfs/dbraw/zinc/73/67/94/484736794.db2.gz OLTFMLBOMPWYDH-SECBINFHSA-N -1 0 360.413 -0.015 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCSC[C@H]1C(N)=O ZINC000546265427 484737708 /nfs/dbraw/zinc/73/77/08/484737708.db2.gz OLTFMLBOMPWYDH-VIFPVBQESA-N -1 0 360.413 -0.015 20 0 FBADRM NC(=O)CCCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000546266808 484737159 /nfs/dbraw/zinc/73/71/59/484737159.db2.gz MZOIUEUVCLLGGA-UHFFFAOYSA-N -1 0 357.388 -0.565 20 0 FBADRM COC(=O)c1cn([C@@H]2CCCN(C(=O)c3cnc([O-])n(C)c3=O)C2)nn1 ZINC000546564590 484740459 /nfs/dbraw/zinc/74/04/59/484740459.db2.gz GVAUJWCLGRQQFL-SECBINFHSA-N -1 0 362.346 -0.659 20 0 FBADRM COC(=O)c1cn([C@H]2CCCN(C(=O)c3cnc([O-])n(C)c3=O)C2)nn1 ZINC000546564591 484739978 /nfs/dbraw/zinc/73/99/78/484739978.db2.gz GVAUJWCLGRQQFL-VIFPVBQESA-N -1 0 362.346 -0.659 20 0 FBADRM CCc1noc2ncc(S(=O)(=O)[N-]c3ncn(CC(=O)NC)n3)cc12 ZINC000546567172 484740443 /nfs/dbraw/zinc/74/04/43/484740443.db2.gz RYIPVRRZYRKHEM-UHFFFAOYSA-N -1 0 365.375 -0.077 20 0 FBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000546645626 484743993 /nfs/dbraw/zinc/74/39/93/484743993.db2.gz QIPPFWXNKWBHTL-LLVKDONJSA-N -1 0 368.415 -0.116 20 0 FBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000546645627 484744507 /nfs/dbraw/zinc/74/45/07/484744507.db2.gz QIPPFWXNKWBHTL-NSHDSACASA-N -1 0 368.415 -0.116 20 0 FBADRM CN(CC(=O)NC[C@@](C)(O)C(=O)[O-])S(=O)(=O)c1ccc(Cl)s1 ZINC000546723432 484747060 /nfs/dbraw/zinc/74/70/60/484747060.db2.gz FPJISBMQQXUTPB-LLVKDONJSA-N -1 0 370.836 -0.026 20 0 FBADRM CN(CC(=O)NC[C@](C)(O)C(=O)[O-])S(=O)(=O)c1ccc(Cl)s1 ZINC000546723433 484747016 /nfs/dbraw/zinc/74/70/16/484747016.db2.gz FPJISBMQQXUTPB-NSHDSACASA-N -1 0 370.836 -0.026 20 0 FBADRM O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000546825140 484751131 /nfs/dbraw/zinc/75/11/31/484751131.db2.gz NVKGMKFSYSFXGZ-HNNXBMFYSA-N -1 0 357.414 -0.010 20 0 FBADRM O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000546825141 484750352 /nfs/dbraw/zinc/75/03/52/484750352.db2.gz NVKGMKFSYSFXGZ-OAHLLOKOSA-N -1 0 357.414 -0.010 20 0 FBADRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1C(N)=O ZINC000546885608 484751973 /nfs/dbraw/zinc/75/19/73/484751973.db2.gz IAUPZDJVNDIZMK-UHFFFAOYSA-N -1 0 370.412 -0.052 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2n[nH]c(C)c2C(N)=O)c1 ZINC000546886180 484752388 /nfs/dbraw/zinc/75/23/88/484752388.db2.gz JOXLAJWTMLOCMA-UHFFFAOYSA-N -1 0 373.416 -0.474 20 0 FBADRM Cc1[nH]nc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)c1C(N)=O ZINC000546886540 484752682 /nfs/dbraw/zinc/75/26/82/484752682.db2.gz YGFXXKSLZVTEPF-UHFFFAOYSA-N -1 0 362.375 -0.192 20 0 FBADRM Cn1ccc(CCNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)n1 ZINC000546893465 484751740 /nfs/dbraw/zinc/75/17/40/484751740.db2.gz XLVCLAFWJVHRHO-UHFFFAOYSA-N -1 0 350.360 -0.310 20 0 FBADRM CN(C)C(=O)C(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000546957454 484755358 /nfs/dbraw/zinc/75/53/58/484755358.db2.gz AHWYUFDXVPTCDB-UHFFFAOYSA-N -1 0 371.415 -0.354 20 0 FBADRM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000546957604 484755807 /nfs/dbraw/zinc/75/58/07/484755807.db2.gz DUDSFOKJCQYLKW-LLVKDONJSA-N -1 0 358.372 -0.803 20 0 FBADRM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N1CCO[C@H](C(N)=O)C1 ZINC000546957610 484755236 /nfs/dbraw/zinc/75/52/36/484755236.db2.gz DUDSFOKJCQYLKW-NSHDSACASA-N -1 0 358.372 -0.803 20 0 FBADRM CN(C)C(=O)NCCNS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000546958543 484755040 /nfs/dbraw/zinc/75/50/40/484755040.db2.gz SJVWLSTYSGUAFL-UHFFFAOYSA-N -1 0 373.387 -0.295 20 0 FBADRM COc1ccc(S(=O)(=O)NCCNC(=O)N(C)C)cc1CC(=O)[O-] ZINC000546960559 484755030 /nfs/dbraw/zinc/75/50/30/484755030.db2.gz VLHQKNCSFWMKBL-UHFFFAOYSA-N -1 0 359.404 -0.128 20 0 FBADRM CNC(=O)CCN(C)S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000546961340 484755134 /nfs/dbraw/zinc/75/51/34/484755134.db2.gz GSUWJMKYMGIAMH-UHFFFAOYSA-N -1 0 358.372 -0.087 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000546963674 484755926 /nfs/dbraw/zinc/75/59/26/484755926.db2.gz CIERMUTVXHQSOJ-SSDOTTSWSA-N -1 0 354.431 -0.112 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000546963675 484755321 /nfs/dbraw/zinc/75/53/21/484755321.db2.gz CIERMUTVXHQSOJ-ZETCQYMHSA-N -1 0 354.431 -0.112 20 0 FBADRM Cc1cc(S(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)ccc1OCC(=O)[O-] ZINC000546966907 484755169 /nfs/dbraw/zinc/75/51/69/484755169.db2.gz DQLQCQFXGLQXHZ-LLVKDONJSA-N -1 0 369.399 -0.143 20 0 FBADRM Cc1cc(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)ccc1OCC(=O)[O-] ZINC000546966908 484755051 /nfs/dbraw/zinc/75/50/51/484755051.db2.gz DQLQCQFXGLQXHZ-NSHDSACASA-N -1 0 369.399 -0.143 20 0 FBADRM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N1CCSC[C@H]1C(N)=O ZINC000546967959 484754847 /nfs/dbraw/zinc/75/48/47/484754847.db2.gz LCFOPJKRPQMYGW-JTQLQIEISA-N -1 0 374.440 -0.086 20 0 FBADRM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N1CCSC[C@@H]1C(N)=O ZINC000546967960 484754880 /nfs/dbraw/zinc/75/48/80/484754880.db2.gz LCFOPJKRPQMYGW-SNVBAGLBSA-N -1 0 374.440 -0.086 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000546968244 484755113 /nfs/dbraw/zinc/75/51/13/484755113.db2.gz YCKSCOOVWHVYIZ-MRVPVSSYSA-N -1 0 366.392 -0.035 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000546968245 484755465 /nfs/dbraw/zinc/75/54/65/484755465.db2.gz YCKSCOOVWHVYIZ-QMMMGPOBSA-N -1 0 366.392 -0.035 20 0 FBADRM COCCOC1CN(S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000546968422 484755663 /nfs/dbraw/zinc/75/56/63/484755663.db2.gz RNNIKPDATDOVJF-UHFFFAOYSA-N -1 0 372.399 -0.463 20 0 FBADRM CCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])oc2C)CC1 ZINC000546970617 484755225 /nfs/dbraw/zinc/75/52/25/484755225.db2.gz YAMYVKKIFMNPCD-UHFFFAOYSA-N -1 0 366.417 -0.058 20 0 FBADRM CC(=O)N1CCN(CCNS(=O)(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC000546971182 484755016 /nfs/dbraw/zinc/75/50/16/484755016.db2.gz HRRKHUGKYAQZEK-UHFFFAOYSA-N -1 0 373.406 -0.034 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC(OCC(=O)N(C)C)C1 ZINC000546971396 484755106 /nfs/dbraw/zinc/75/51/06/484755106.db2.gz OQNIRPGGRQFTRY-UHFFFAOYSA-N -1 0 372.399 -0.129 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000546974326 484754973 /nfs/dbraw/zinc/75/49/73/484754973.db2.gz ZWKPXUGKUORNHR-MRVPVSSYSA-N -1 0 352.390 -0.272 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000546974327 484755232 /nfs/dbraw/zinc/75/52/32/484755232.db2.gz ZWKPXUGKUORNHR-QMMMGPOBSA-N -1 0 352.390 -0.272 20 0 FBADRM CCc1nncn1CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000547215492 484755862 /nfs/dbraw/zinc/75/58/62/484755862.db2.gz MVYMBWYIFBEFDT-UHFFFAOYSA-N -1 0 365.375 -0.432 20 0 FBADRM CN(C)c1nc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)cc(=O)[nH]1 ZINC000547326816 484760326 /nfs/dbraw/zinc/76/03/26/484760326.db2.gz KOZJHRIBYORCKA-UHFFFAOYSA-N -1 0 359.393 -0.277 20 0 FBADRM CCCc1nc(=NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s[n-]1 ZINC000547380175 484761757 /nfs/dbraw/zinc/76/17/57/484761757.db2.gz VHBYSGRQVDOAIL-UHFFFAOYSA-N -1 0 363.403 -0.702 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@@H]2CCN(C)C2=O)c1 ZINC000547461618 484765218 /nfs/dbraw/zinc/76/52/18/484765218.db2.gz RXWMBIFHFRMZFV-CYBMUJFWSA-N -1 0 368.415 -0.023 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@H]2CCN(C)C2=O)c1 ZINC000547461619 484765231 /nfs/dbraw/zinc/76/52/31/484765231.db2.gz RXWMBIFHFRMZFV-ZDUSSCGKSA-N -1 0 368.415 -0.023 20 0 FBADRM COCCOCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)CCO)cc1 ZINC000547499566 484765979 /nfs/dbraw/zinc/76/59/79/484765979.db2.gz CWBBTDPHFQHWRK-UHFFFAOYSA-N -1 0 367.445 -0.143 20 0 FBADRM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)nn1C ZINC000547499891 484417067 /nfs/dbraw/zinc/41/70/67/484417067.db2.gz SZTFACZFVDQEIV-UHFFFAOYSA-N -1 0 357.413 0.559 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000547543898 484766528 /nfs/dbraw/zinc/76/65/28/484766528.db2.gz HVQQJYLKPMAVLC-LLVKDONJSA-N -1 0 368.408 -0.190 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000547543903 484766743 /nfs/dbraw/zinc/76/67/43/484766743.db2.gz HVQQJYLKPMAVLC-NSHDSACASA-N -1 0 368.408 -0.190 20 0 FBADRM Cc1cnn(-c2ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc2F)c1 ZINC000547544437 484766605 /nfs/dbraw/zinc/76/66/05/484766605.db2.gz DQUDYYBUFVMQTC-UHFFFAOYSA-N -1 0 370.362 -0.201 20 0 FBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000547545099 484766632 /nfs/dbraw/zinc/76/66/32/484766632.db2.gz NUVLJMSNDIWDST-ZETCQYMHSA-N -1 0 350.736 -0.112 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000547545456 484766662 /nfs/dbraw/zinc/76/66/62/484766662.db2.gz FHSHOGPRRUVJAK-UHFFFAOYSA-N -1 0 371.293 -0.498 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000547546105 484766860 /nfs/dbraw/zinc/76/68/60/484766860.db2.gz QANPMCMZDYLJRV-SECBINFHSA-N -1 0 356.447 -0.268 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000547546106 484765873 /nfs/dbraw/zinc/76/58/73/484765873.db2.gz QANPMCMZDYLJRV-VIFPVBQESA-N -1 0 356.447 -0.268 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000547546618 484766085 /nfs/dbraw/zinc/76/60/85/484766085.db2.gz IUHLBHRUYQHBHJ-UHFFFAOYSA-N -1 0 351.724 -0.273 20 0 FBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000547546727 484766436 /nfs/dbraw/zinc/76/64/36/484766436.db2.gz QWCBXSXZARNXRU-JTQLQIEISA-N -1 0 373.412 -0.213 20 0 FBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000547546728 484766353 /nfs/dbraw/zinc/76/63/53/484766353.db2.gz QWCBXSXZARNXRU-SNVBAGLBSA-N -1 0 373.412 -0.213 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000547546881 484766726 /nfs/dbraw/zinc/76/67/26/484766726.db2.gz CYNCMXCNTUTXLI-UHFFFAOYSA-N -1 0 364.445 -0.214 20 0 FBADRM C=CCNC(=O)c1cccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000547547173 485122051 /nfs/dbraw/zinc/12/20/51/485122051.db2.gz QIPYTORYFYIZQU-UHFFFAOYSA-N -1 0 355.372 -0.919 20 0 FBADRM COC(=O)CCOc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000547547334 484766842 /nfs/dbraw/zinc/76/68/42/484766842.db2.gz VHHYFEWYGFXURG-UHFFFAOYSA-N -1 0 374.371 -0.892 20 0 FBADRM Cc1cnn(-c2ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc2F)c1 ZINC000547547425 484765924 /nfs/dbraw/zinc/76/59/24/484765924.db2.gz BMOJFJKIEOOPRK-LLVKDONJSA-N -1 0 370.362 -0.073 20 0 FBADRM Cn1cc([C@@H](NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C(=O)[O-])cn1 ZINC000547547653 484766040 /nfs/dbraw/zinc/76/60/40/484766040.db2.gz OVUFOUVSDGDZHV-GFCCVEGCSA-N -1 0 373.412 -0.072 20 0 FBADRM Cn1cc([C@H](NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C(=O)[O-])cn1 ZINC000547547654 484766578 /nfs/dbraw/zinc/76/65/78/484766578.db2.gz OVUFOUVSDGDZHV-LBPRGKRZSA-N -1 0 373.412 -0.072 20 0 FBADRM Cc1sc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cc1[N+](=O)[O-] ZINC000547547706 484767838 /nfs/dbraw/zinc/76/78/38/484767838.db2.gz RESUNUYCIYEZMB-ZCFIWIBFSA-N -1 0 351.362 -0.038 20 0 FBADRM Cc1cnn(-c2ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc2F)c1 ZINC000547547984 484767518 /nfs/dbraw/zinc/76/75/18/484767518.db2.gz BMOJFJKIEOOPRK-NSHDSACASA-N -1 0 370.362 -0.073 20 0 FBADRM NC(=O)C[C@@H](NS(=O)(=O)c1cnn(-c2ccccc2F)c1)C(=O)[O-] ZINC000547548442 484767808 /nfs/dbraw/zinc/76/78/08/484767808.db2.gz JLGJHTVOYCEGEW-SNVBAGLBSA-N -1 0 356.335 -0.382 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000547548739 484767614 /nfs/dbraw/zinc/76/76/14/484767614.db2.gz PSPRLJPHIJWKLW-LLVKDONJSA-N -1 0 366.417 -0.623 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cn1 ZINC000547548914 484767307 /nfs/dbraw/zinc/76/73/07/484767307.db2.gz VTFXBOWVVBENQH-LLVKDONJSA-N -1 0 354.344 -0.435 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]3CCOC3)cc2n(C)c1=O ZINC000547548988 484767378 /nfs/dbraw/zinc/76/73/78/484767378.db2.gz YIDPFQGKQIPICK-NOZJJQNGSA-N -1 0 369.399 -0.355 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]3CCOC3)cc2n(C)c1=O ZINC000547548991 484767846 /nfs/dbraw/zinc/76/78/46/484767846.db2.gz YIDPFQGKQIPICK-RNCFNFMXSA-N -1 0 369.399 -0.355 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]3CCOC3)cc2n(C)c1=O ZINC000547548992 484767823 /nfs/dbraw/zinc/76/78/23/484767823.db2.gz YIDPFQGKQIPICK-TVQRCGJNSA-N -1 0 369.399 -0.355 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]3CCOC3)cc2n(C)c1=O ZINC000547548996 484767905 /nfs/dbraw/zinc/76/79/05/484767905.db2.gz YIDPFQGKQIPICK-ZANVPECISA-N -1 0 369.399 -0.355 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1cc(NC(C)=O)ccc1OC)C(=O)[O-] ZINC000547549289 484767255 /nfs/dbraw/zinc/76/72/55/484767255.db2.gz ZZZHJNPHHXQWMZ-JTQLQIEISA-N -1 0 374.371 -0.052 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)[O-])CC1 ZINC000547549707 484767673 /nfs/dbraw/zinc/76/76/73/484767673.db2.gz GBIZXYATRGLFLU-CMPLNLGQSA-N -1 0 364.420 -0.414 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)[O-])CC1 ZINC000547549708 484767153 /nfs/dbraw/zinc/76/71/53/484767153.db2.gz GBIZXYATRGLFLU-JQWIXIFHSA-N -1 0 364.420 -0.414 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)[O-])CC1 ZINC000547549709 484767514 /nfs/dbraw/zinc/76/75/14/484767514.db2.gz GBIZXYATRGLFLU-PWSUYJOCSA-N -1 0 364.420 -0.414 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)[O-])CC1 ZINC000547549710 484767480 /nfs/dbraw/zinc/76/74/80/484767480.db2.gz GBIZXYATRGLFLU-ZYHUDNBSSA-N -1 0 364.420 -0.414 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cn1C ZINC000547549810 484767919 /nfs/dbraw/zinc/76/79/19/484767919.db2.gz SSYMFLWGXFVBDB-JTQLQIEISA-N -1 0 356.360 -0.491 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cn1C ZINC000547549811 484767594 /nfs/dbraw/zinc/76/75/94/484767594.db2.gz SSYMFLWGXFVBDB-SNVBAGLBSA-N -1 0 356.360 -0.491 20 0 FBADRM COC(=O)CCOc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1 ZINC000547550158 484767167 /nfs/dbraw/zinc/76/71/67/484767167.db2.gz MEKMXCFSUKIEMU-NSHDSACASA-N -1 0 374.371 -0.765 20 0 FBADRM COC(=O)c1nccc2c1cccc2S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000547550370 484767459 /nfs/dbraw/zinc/76/74/59/484767459.db2.gz RBMBHDGMQMZNGQ-JTQLQIEISA-N -1 0 354.340 -0.255 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)N[C@H](Cn2cc(C)cn2)C(=O)[O-])CC1 ZINC000547550881 484767776 /nfs/dbraw/zinc/76/77/76/484767776.db2.gz DKRWBTHBVPXFLI-LLVKDONJSA-N -1 0 359.404 -0.093 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)N[C@@H](Cn2cc(C)cn2)C(=O)[O-])CC1 ZINC000547550882 484767383 /nfs/dbraw/zinc/76/73/83/484767383.db2.gz DKRWBTHBVPXFLI-NSHDSACASA-N -1 0 359.404 -0.093 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)cc1 ZINC000547551728 484767231 /nfs/dbraw/zinc/76/72/31/484767231.db2.gz LDJKHMXZNJKVLH-BXKDBHETSA-N -1 0 363.413 -0.142 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)cc1 ZINC000547551729 484767696 /nfs/dbraw/zinc/76/76/96/484767696.db2.gz LDJKHMXZNJKVLH-CABZTGNLSA-N -1 0 363.413 -0.142 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)cc1 ZINC000547551730 484767441 /nfs/dbraw/zinc/76/74/41/484767441.db2.gz LDJKHMXZNJKVLH-JOYOIKCWSA-N -1 0 363.413 -0.142 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)cc1 ZINC000547551731 484767813 /nfs/dbraw/zinc/76/78/13/484767813.db2.gz LDJKHMXZNJKVLH-SKDRFNHKSA-N -1 0 363.413 -0.142 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC000547551771 484767287 /nfs/dbraw/zinc/76/72/87/484767287.db2.gz MVIUKUUKVHTBKG-GFCCVEGCSA-N -1 0 373.412 -0.213 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC000547551772 484767539 /nfs/dbraw/zinc/76/75/39/484767539.db2.gz MVIUKUUKVHTBKG-LBPRGKRZSA-N -1 0 373.412 -0.213 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)cn1C ZINC000547551941 484767475 /nfs/dbraw/zinc/76/74/75/484767475.db2.gz VJWCXXQKCZPNPX-UHFFFAOYSA-N -1 0 360.388 -0.029 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)NCc2nc(C)c(C(=O)[O-])s2)cn1 ZINC000547552148 484767858 /nfs/dbraw/zinc/76/78/58/484767858.db2.gz ALJLZFMGOXJRRQ-UHFFFAOYSA-N -1 0 374.400 -0.002 20 0 FBADRM Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](CN1CCOCC1)C(=O)[O-] ZINC000547552356 484767801 /nfs/dbraw/zinc/76/78/01/484767801.db2.gz FAWQQYTUYDZJTA-CYBMUJFWSA-N -1 0 353.400 -0.070 20 0 FBADRM Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)[O-] ZINC000547552358 484767726 /nfs/dbraw/zinc/76/77/26/484767726.db2.gz FAWQQYTUYDZJTA-ZDUSSCGKSA-N -1 0 353.400 -0.070 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)[O-])cn1 ZINC000547552570 484767768 /nfs/dbraw/zinc/76/77/68/484767768.db2.gz BQRPZRWEZNKUHO-GXSJLCMTSA-N -1 0 361.376 -0.786 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)[O-])cn1 ZINC000547552571 484767863 /nfs/dbraw/zinc/76/78/63/484767863.db2.gz BQRPZRWEZNKUHO-KOLCDFICSA-N -1 0 361.376 -0.786 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)[O-])cn1 ZINC000547552572 484767712 /nfs/dbraw/zinc/76/77/12/484767712.db2.gz BQRPZRWEZNKUHO-MWLCHTKSSA-N -1 0 361.376 -0.786 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)[O-])cn1 ZINC000547552573 484767782 /nfs/dbraw/zinc/76/77/82/484767782.db2.gz BQRPZRWEZNKUHO-ONGXEEELSA-N -1 0 361.376 -0.786 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@@H](Cc1ccccn1)C(=O)[O-] ZINC000547552664 484767464 /nfs/dbraw/zinc/76/74/64/484767464.db2.gz IQSLOTZLJUYTAP-LLVKDONJSA-N -1 0 359.404 -0.346 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@H](Cc1ccccn1)C(=O)[O-] ZINC000547552665 484767678 /nfs/dbraw/zinc/76/76/78/484767678.db2.gz IQSLOTZLJUYTAP-NSHDSACASA-N -1 0 359.404 -0.346 20 0 FBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000547552772 484767525 /nfs/dbraw/zinc/76/75/25/484767525.db2.gz MDFJCAUOMMUURG-CHWSQXEVSA-N -1 0 356.400 -0.344 20 0 FBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000547552775 484767703 /nfs/dbraw/zinc/76/77/03/484767703.db2.gz MDFJCAUOMMUURG-QWHCGFSZSA-N -1 0 356.400 -0.344 20 0 FBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000547552792 484767355 /nfs/dbraw/zinc/76/73/55/484767355.db2.gz MXLZKPWQQFWFSF-GFCCVEGCSA-N -1 0 363.359 -0.640 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547552834 484767913 /nfs/dbraw/zinc/76/79/13/484767913.db2.gz OJEMRMWSQNZFTA-DCAQKATOSA-N -1 0 350.393 -0.662 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547552836 484767740 /nfs/dbraw/zinc/76/77/40/484767740.db2.gz OJEMRMWSQNZFTA-GARJFASQSA-N -1 0 350.393 -0.662 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547552837 484767424 /nfs/dbraw/zinc/76/74/24/484767424.db2.gz OJEMRMWSQNZFTA-OUAUKWLOSA-N -1 0 350.393 -0.662 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547552839 484767263 /nfs/dbraw/zinc/76/72/63/484767263.db2.gz OJEMRMWSQNZFTA-VWYCJHECSA-N -1 0 350.393 -0.662 20 0 FBADRM COC(=O)c1c(OC)ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1OC ZINC000547552949 484767649 /nfs/dbraw/zinc/76/76/49/484767649.db2.gz GPHNIDQXAVCMOV-SSDOTTSWSA-N -1 0 363.344 -0.786 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000547553071 484767826 /nfs/dbraw/zinc/76/78/26/484767826.db2.gz NWOPUSOHEZFXQG-XYPYZODXSA-N -1 0 356.466 -0.264 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)[O-])cn1C ZINC000547553335 484767220 /nfs/dbraw/zinc/76/72/20/484767220.db2.gz FHCNUZJEEHIIMX-GXSJLCMTSA-N -1 0 359.404 -0.457 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)[O-])cn1C ZINC000547553338 484767494 /nfs/dbraw/zinc/76/74/94/484767494.db2.gz FHCNUZJEEHIIMX-KOLCDFICSA-N -1 0 359.404 -0.457 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)[O-])cn1C ZINC000547553341 484767709 /nfs/dbraw/zinc/76/77/09/484767709.db2.gz FHCNUZJEEHIIMX-MWLCHTKSSA-N -1 0 359.404 -0.457 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)[O-])cn1C ZINC000547553344 484767337 /nfs/dbraw/zinc/76/73/37/484767337.db2.gz FHCNUZJEEHIIMX-ONGXEEELSA-N -1 0 359.404 -0.457 20 0 FBADRM CCc1oc(C(=O)OC)cc1S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-] ZINC000547553842 484767745 /nfs/dbraw/zinc/76/77/45/484767745.db2.gz HCBSQKLPAWYNBR-ZETCQYMHSA-N -1 0 363.344 -0.077 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(N(C)C(C)=O)cc1)C(=O)[O-] ZINC000547553957 484767789 /nfs/dbraw/zinc/76/77/89/484767789.db2.gz IHMYGHALXKLDCV-LBPRGKRZSA-N -1 0 358.372 -0.036 20 0 FBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2)C(=O)[O-] ZINC000547554075 484767833 /nfs/dbraw/zinc/76/78/33/484767833.db2.gz WHKIOKQRJLDPRJ-OQPBUACISA-N -1 0 354.384 -0.366 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C(=O)[O-] ZINC000547554277 484767869 /nfs/dbraw/zinc/76/78/69/484767869.db2.gz MPHXROPBLIDAJH-LURJTMIESA-N -1 0 363.735 -0.619 20 0 FBADRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)[C@H]1CCOC1 ZINC000547554511 484767968 /nfs/dbraw/zinc/76/79/68/484767968.db2.gz PHKQLTZKKJCDMK-CPCISQLKSA-N -1 0 369.355 -0.191 20 0 FBADRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)[C@@H]1CCOC1 ZINC000547554512 484767818 /nfs/dbraw/zinc/76/78/18/484767818.db2.gz PHKQLTZKKJCDMK-HQJQHLMTSA-N -1 0 369.355 -0.191 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)[C@@H]1CCOC1 ZINC000547554513 484767886 /nfs/dbraw/zinc/76/78/86/484767886.db2.gz PHKQLTZKKJCDMK-RDDDGLTNSA-N -1 0 369.355 -0.191 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)[C@H]1CCOC1 ZINC000547554514 484767554 /nfs/dbraw/zinc/76/75/54/484767554.db2.gz PHKQLTZKKJCDMK-WRWORJQWSA-N -1 0 369.355 -0.191 20 0 FBADRM C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-])c1 ZINC000547554903 485123658 /nfs/dbraw/zinc/12/36/58/485123658.db2.gz UFKLCPYHNCHUIO-LBPRGKRZSA-N -1 0 370.383 -0.103 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000547555052 484767502 /nfs/dbraw/zinc/76/75/02/484767502.db2.gz ZQMHZEHNTPLEQA-LURJTMIESA-N -1 0 351.724 -0.145 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000547555191 484767980 /nfs/dbraw/zinc/76/79/80/484767980.db2.gz ZPLWCBPTXGSDIK-GFCCVEGCSA-N -1 0 365.429 -0.258 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1C(=O)NCC(F)(F)F ZINC000547555695 484767759 /nfs/dbraw/zinc/76/77/59/484767759.db2.gz GOGHIMXQUIBACS-ZETCQYMHSA-N -1 0 373.309 -0.959 20 0 FBADRM COC(=O)CCOc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1 ZINC000547555834 484767415 /nfs/dbraw/zinc/76/74/15/484767415.db2.gz MEKMXCFSUKIEMU-LLVKDONJSA-N -1 0 374.371 -0.765 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)n(C)c1)C(=O)[O-] ZINC000547555835 484767586 /nfs/dbraw/zinc/76/75/86/484767586.db2.gz MFJNOEDRNXBRTC-VIFPVBQESA-N -1 0 362.360 -0.504 20 0 FBADRM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1C ZINC000547556569 484767453 /nfs/dbraw/zinc/76/74/53/484767453.db2.gz YRTJAOBSHNFQMI-QMMMGPOBSA-N -1 0 361.376 -0.585 20 0 FBADRM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000547557023 484767891 /nfs/dbraw/zinc/76/78/91/484767891.db2.gz HBKPPFSNJOWGIM-VIFPVBQESA-N -1 0 365.335 -0.265 20 0 FBADRM O=C([O-])[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000547557469 484767620 /nfs/dbraw/zinc/76/76/20/484767620.db2.gz OCMWFVJAVLAWPH-GWCFXTLKSA-N -1 0 367.387 -0.180 20 0 FBADRM O=C([O-])[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000547557470 484767643 /nfs/dbraw/zinc/76/76/43/484767643.db2.gz OCMWFVJAVLAWPH-GXFFZTMASA-N -1 0 367.387 -0.180 20 0 FBADRM O=C([O-])[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000547557471 484767389 /nfs/dbraw/zinc/76/73/89/484767389.db2.gz OCMWFVJAVLAWPH-MFKMUULPSA-N -1 0 367.387 -0.180 20 0 FBADRM O=C([O-])[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000547557472 484767851 /nfs/dbraw/zinc/76/78/51/484767851.db2.gz OCMWFVJAVLAWPH-ZWNOBZJWSA-N -1 0 367.387 -0.180 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000547557614 484767635 /nfs/dbraw/zinc/76/76/35/484767635.db2.gz NXIFTZBXIYOPDO-JTQLQIEISA-N -1 0 370.339 -0.793 20 0 FBADRM COC(=O)c1nccc2c1cccc2S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000547558860 484767244 /nfs/dbraw/zinc/76/72/44/484767244.db2.gz RBMBHDGMQMZNGQ-SNVBAGLBSA-N -1 0 354.340 -0.255 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NCc1nc(C)c(C(=O)[O-])s1 ZINC000547558922 484767372 /nfs/dbraw/zinc/76/73/72/484767372.db2.gz VTTHITQMLVPKJW-UHFFFAOYSA-N -1 0 371.462 -0.492 20 0 FBADRM CSCC[C@@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000547558959 484767987 /nfs/dbraw/zinc/76/79/87/484767987.db2.gz REOGLSXBVNUAGQ-SNVBAGLBSA-N -1 0 368.458 -0.181 20 0 FBADRM COCC[C@@H](NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)[O-] ZINC000547559071 484767535 /nfs/dbraw/zinc/76/75/35/484767535.db2.gz UYBJLHOZBBZJJY-CYBMUJFWSA-N -1 0 356.400 -0.080 20 0 FBADRM COCC[C@H](NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)[O-] ZINC000547559072 484767409 /nfs/dbraw/zinc/76/74/09/484767409.db2.gz UYBJLHOZBBZJJY-ZDUSSCGKSA-N -1 0 356.400 -0.080 20 0 FBADRM Cn1cc(C[C@H](CNS(=O)(=O)c2cnc3n2CCC3)C(=O)[O-])cn1 ZINC000547560721 484767446 /nfs/dbraw/zinc/76/74/46/484767446.db2.gz AAWHKOQDAWLRKZ-LLVKDONJSA-N -1 0 353.404 -0.215 20 0 FBADRM Cn1cc(C[C@@H](CNS(=O)(=O)c2cnc3n2CCC3)C(=O)[O-])cn1 ZINC000547560722 484767177 /nfs/dbraw/zinc/76/71/77/484767177.db2.gz AAWHKOQDAWLRKZ-NSHDSACASA-N -1 0 353.404 -0.215 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)NC[C@@H](Cc2cnn(C)c2)C(=O)[O-])CC1 ZINC000547561038 484767564 /nfs/dbraw/zinc/76/75/64/484767564.db2.gz DCTXUTWDDKKBAE-GFCCVEGCSA-N -1 0 373.431 -0.074 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)NC[C@H](Cc2cnn(C)c2)C(=O)[O-])CC1 ZINC000547561039 484767954 /nfs/dbraw/zinc/76/79/54/484767954.db2.gz DCTXUTWDDKKBAE-LBPRGKRZSA-N -1 0 373.431 -0.074 20 0 FBADRM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](OC)C(=O)[O-] ZINC000547561094 484767270 /nfs/dbraw/zinc/76/72/70/484767270.db2.gz FQXLLEJCVSPHBD-SECBINFHSA-N -1 0 362.316 -0.241 20 0 FBADRM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](OC)C(=O)[O-] ZINC000547561095 484767341 /nfs/dbraw/zinc/76/73/41/484767341.db2.gz FQXLLEJCVSPHBD-VIFPVBQESA-N -1 0 362.316 -0.241 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000547561120 484767430 /nfs/dbraw/zinc/76/74/30/484767430.db2.gz GGXHWCSTUJFUTF-SECBINFHSA-N -1 0 355.365 -0.393 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000547561121 484767626 /nfs/dbraw/zinc/76/76/26/484767626.db2.gz GGXHWCSTUJFUTF-VIFPVBQESA-N -1 0 355.365 -0.393 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2)C(=O)[O-] ZINC000547561451 484767531 /nfs/dbraw/zinc/76/75/31/484767531.db2.gz ISNBOCXUAQMFRC-GFCCVEGCSA-N -1 0 354.384 -0.100 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2)C(=O)[O-] ZINC000547561452 484767687 /nfs/dbraw/zinc/76/76/87/484767687.db2.gz ISNBOCXUAQMFRC-LBPRGKRZSA-N -1 0 354.384 -0.100 20 0 FBADRM COC[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C)C(=O)[O-] ZINC000547562546 484767719 /nfs/dbraw/zinc/76/77/19/484767719.db2.gz QYAQWIBHHDEGKU-JTQLQIEISA-N -1 0 351.402 -0.224 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C)C(=O)[O-] ZINC000547562548 484767656 /nfs/dbraw/zinc/76/76/56/484767656.db2.gz QYAQWIBHHDEGKU-SNVBAGLBSA-N -1 0 351.402 -0.224 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](Cc1ccco1)C(=O)[O-] ZINC000547562620 484767877 /nfs/dbraw/zinc/76/78/77/484767877.db2.gz IWYKUANSWBKIEX-JTQLQIEISA-N -1 0 354.406 -0.866 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](Cc1ccco1)C(=O)[O-] ZINC000547562621 484768901 /nfs/dbraw/zinc/76/89/01/484768901.db2.gz IWYKUANSWBKIEX-SNVBAGLBSA-N -1 0 354.406 -0.866 20 0 FBADRM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])ccc2O1 ZINC000547563577 484769057 /nfs/dbraw/zinc/76/90/57/484769057.db2.gz UCHDQNBLKLBHHD-CHWSQXEVSA-N -1 0 373.383 -0.069 20 0 FBADRM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NC[C@H](OC)C(=O)[O-])ccc2O1 ZINC000547563582 484768717 /nfs/dbraw/zinc/76/87/17/484768717.db2.gz UCHDQNBLKLBHHD-OLZOCXBDSA-N -1 0 373.383 -0.069 20 0 FBADRM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])ccc2O1 ZINC000547563583 484769053 /nfs/dbraw/zinc/76/90/53/484769053.db2.gz UCHDQNBLKLBHHD-QWHCGFSZSA-N -1 0 373.383 -0.069 20 0 FBADRM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NC[C@H](OC)C(=O)[O-])ccc2O1 ZINC000547563584 484768365 /nfs/dbraw/zinc/76/83/65/484768365.db2.gz UCHDQNBLKLBHHD-STQMWFEESA-N -1 0 373.383 -0.069 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000547564140 484768325 /nfs/dbraw/zinc/76/83/25/484768325.db2.gz AUAOPSCHAIPHDJ-GFCCVEGCSA-N -1 0 355.420 -0.008 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000547564141 484769153 /nfs/dbraw/zinc/76/91/53/484769153.db2.gz AUAOPSCHAIPHDJ-LBPRGKRZSA-N -1 0 355.420 -0.008 20 0 FBADRM C[C@H](CCCCC(=O)[O-])NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000547564459 484768771 /nfs/dbraw/zinc/76/87/71/484768771.db2.gz HCQIYEWZQJWJKD-LLVKDONJSA-N -1 0 371.481 -0.569 20 0 FBADRM C[C@@H](CCCCC(=O)[O-])NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000547564467 484768654 /nfs/dbraw/zinc/76/86/54/484768654.db2.gz HCQIYEWZQJWJKD-NSHDSACASA-N -1 0 371.481 -0.569 20 0 FBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C)C(=O)[O-] ZINC000547564864 484768970 /nfs/dbraw/zinc/76/89/70/484768970.db2.gz JRVIWOBGNPJQGP-LLVKDONJSA-N -1 0 370.387 -0.039 20 0 FBADRM O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)NS(=O)(=O)c1c[nH]cn1 ZINC000547565560 484769092 /nfs/dbraw/zinc/76/90/92/484769092.db2.gz OJZKMAFTWPOREE-GFCCVEGCSA-N -1 0 362.371 -0.035 20 0 FBADRM O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)NS(=O)(=O)c1c[nH]cn1 ZINC000547565561 484768873 /nfs/dbraw/zinc/76/88/73/484768873.db2.gz OJZKMAFTWPOREE-LBPRGKRZSA-N -1 0 362.371 -0.035 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](CC2CCCC2)C(=O)[O-])c(=O)n(C)c1=O ZINC000547566094 484768701 /nfs/dbraw/zinc/76/87/01/484768701.db2.gz UPUWWRUETBCXCQ-JTQLQIEISA-N -1 0 359.404 -0.604 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](CC2CCCC2)C(=O)[O-])c(=O)n(C)c1=O ZINC000547566095 484768510 /nfs/dbraw/zinc/76/85/10/484768510.db2.gz UPUWWRUETBCXCQ-SNVBAGLBSA-N -1 0 359.404 -0.604 20 0 FBADRM COCCS(=O)(=O)N1CCN(C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000547566103 484768462 /nfs/dbraw/zinc/76/84/62/484768462.db2.gz UFQDFIDBUBKXHB-GFCCVEGCSA-N -1 0 363.436 -0.503 20 0 FBADRM COCCS(=O)(=O)N1CCN(C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000547566104 484768673 /nfs/dbraw/zinc/76/86/73/484768673.db2.gz UFQDFIDBUBKXHB-LBPRGKRZSA-N -1 0 363.436 -0.503 20 0 FBADRM COCCS(=O)(=O)NCCNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000547566367 484768664 /nfs/dbraw/zinc/76/86/64/484768664.db2.gz ZTUSMQQGLXLNLR-UHFFFAOYSA-N -1 0 359.404 -0.250 20 0 FBADRM C[C@@H]1CC[C@@](CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)(CC(=O)[O-])C1 ZINC000547567879 484768843 /nfs/dbraw/zinc/76/88/43/484768843.db2.gz JNNKGLXVYIOFQT-BMIGLBTASA-N -1 0 373.431 -0.357 20 0 FBADRM C[C@H]1CC[C@@](CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)(CC(=O)[O-])C1 ZINC000547567881 484768790 /nfs/dbraw/zinc/76/87/90/484768790.db2.gz JNNKGLXVYIOFQT-BONVTDFDSA-N -1 0 373.431 -0.357 20 0 FBADRM C[C@@H]1CC[C@](CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)(CC(=O)[O-])C1 ZINC000547567882 484769026 /nfs/dbraw/zinc/76/90/26/484769026.db2.gz JNNKGLXVYIOFQT-MEBBXXQBSA-N -1 0 373.431 -0.357 20 0 FBADRM C[C@H]1CC[C@](CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)(CC(=O)[O-])C1 ZINC000547567883 484769043 /nfs/dbraw/zinc/76/90/43/484769043.db2.gz JNNKGLXVYIOFQT-ZUZCIYMTSA-N -1 0 373.431 -0.357 20 0 FBADRM Cc1cnn(C[C@@H](NS(=O)(=O)c2cccc(C(N)=O)c2)C(=O)[O-])c1 ZINC000547568771 484768746 /nfs/dbraw/zinc/76/87/46/484768746.db2.gz FMCNXAQVWIJEIX-GFCCVEGCSA-N -1 0 352.372 -0.278 20 0 FBADRM Cc1cnn(C[C@H](NS(=O)(=O)c2cccc(C(N)=O)c2)C(=O)[O-])c1 ZINC000547568779 484769013 /nfs/dbraw/zinc/76/90/13/484769013.db2.gz FMCNXAQVWIJEIX-LBPRGKRZSA-N -1 0 352.372 -0.278 20 0 FBADRM COc1cccc(OC)c1S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000547571180 484769008 /nfs/dbraw/zinc/76/90/08/484769008.db2.gz RQZQZDGQAKTFQN-JTQLQIEISA-N -1 0 372.399 -0.085 20 0 FBADRM COc1cccc(OC)c1S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000547571181 484768471 /nfs/dbraw/zinc/76/84/71/484768471.db2.gz RQZQZDGQAKTFQN-SNVBAGLBSA-N -1 0 372.399 -0.085 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)cc1C(N)=O ZINC000547571292 484768348 /nfs/dbraw/zinc/76/83/48/484768348.db2.gz ZLOSCHVHXXAJJI-JTQLQIEISA-N -1 0 369.399 -0.695 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)cc1C(N)=O ZINC000547571293 484768501 /nfs/dbraw/zinc/76/85/01/484768501.db2.gz ZLOSCHVHXXAJJI-SNVBAGLBSA-N -1 0 369.399 -0.695 20 0 FBADRM CCN(C)S(=O)(=O)N1CCN(C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000547571717 484768724 /nfs/dbraw/zinc/76/87/24/484768724.db2.gz CFHGDPPGZGWURG-GFCCVEGCSA-N -1 0 362.452 -0.283 20 0 FBADRM CCN(C)S(=O)(=O)N1CCN(C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000547571718 484768542 /nfs/dbraw/zinc/76/85/42/484768542.db2.gz CFHGDPPGZGWURG-LBPRGKRZSA-N -1 0 362.452 -0.283 20 0 FBADRM CCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](COC)C(=O)[O-])cc1 ZINC000547571971 484768567 /nfs/dbraw/zinc/76/85/67/484768567.db2.gz KBGPVZSOAAUULH-LLVKDONJSA-N -1 0 351.402 -0.142 20 0 FBADRM CCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](COC)C(=O)[O-])cc1 ZINC000547571972 484768836 /nfs/dbraw/zinc/76/88/36/484768836.db2.gz KBGPVZSOAAUULH-NSHDSACASA-N -1 0 351.402 -0.142 20 0 FBADRM COC(=O)c1cc(OC)c(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])s1 ZINC000547572315 484768643 /nfs/dbraw/zinc/76/86/43/484768643.db2.gz RFCRPJAFQHSKHR-SSDOTTSWSA-N -1 0 353.374 -0.079 20 0 FBADRM COC(=O)c1cc(OC)c(S(=O)(=O)NC[C@H](OC)C(=O)[O-])s1 ZINC000547572316 484768609 /nfs/dbraw/zinc/76/86/09/484768609.db2.gz RFCRPJAFQHSKHR-ZETCQYMHSA-N -1 0 353.374 -0.079 20 0 FBADRM COc1ccc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])cc1C(=O)N(C)C ZINC000547572601 484768455 /nfs/dbraw/zinc/76/84/55/484768455.db2.gz WLEUYFYMSLRKKA-GFCCVEGCSA-N -1 0 360.388 -0.225 20 0 FBADRM COc1ccc(S(=O)(=O)NC[C@H](OC)C(=O)[O-])cc1C(=O)N(C)C ZINC000547572602 484768408 /nfs/dbraw/zinc/76/84/08/484768408.db2.gz WLEUYFYMSLRKKA-LBPRGKRZSA-N -1 0 360.388 -0.225 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000547572903 484769143 /nfs/dbraw/zinc/76/91/43/484769143.db2.gz HKCUBOTZZGFLJQ-SECBINFHSA-N -1 0 355.365 -0.393 20 0 FBADRM COC[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000547572904 484769017 /nfs/dbraw/zinc/76/90/17/484769017.db2.gz HKCUBOTZZGFLJQ-VIFPVBQESA-N -1 0 355.365 -0.393 20 0 FBADRM COCCS(=O)(=O)N1CCN(C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000547573061 484768358 /nfs/dbraw/zinc/76/83/58/484768358.db2.gz JKQQDNZVONIHRV-UHFFFAOYSA-N -1 0 363.436 -0.503 20 0 FBADRM O=C([O-])C1CCN(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)CC1 ZINC000547573262 484768861 /nfs/dbraw/zinc/76/88/61/484768861.db2.gz MRHSJJKODHACAZ-UHFFFAOYSA-N -1 0 374.463 -0.139 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)C1 ZINC000547573347 484768557 /nfs/dbraw/zinc/76/85/57/484768557.db2.gz PAOBJLHUNQWTCG-CYBMUJFWSA-N -1 0 354.407 -0.027 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)C1 ZINC000547573348 484768694 /nfs/dbraw/zinc/76/86/94/484768694.db2.gz PAOBJLHUNQWTCG-ZDUSSCGKSA-N -1 0 354.407 -0.027 20 0 FBADRM COC[C@H](NS(=O)(=O)c1ccc(CCNC(C)=O)s1)C(=O)[O-] ZINC000547573924 484768575 /nfs/dbraw/zinc/76/85/75/484768575.db2.gz KEOZFHKEIZWDOX-JTQLQIEISA-N -1 0 350.418 -0.195 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1ccc(CCNC(C)=O)s1)C(=O)[O-] ZINC000547573925 484768624 /nfs/dbraw/zinc/76/86/24/484768624.db2.gz KEOZFHKEIZWDOX-SNVBAGLBSA-N -1 0 350.418 -0.195 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(=O)[O-] ZINC000547574310 484768682 /nfs/dbraw/zinc/76/86/82/484768682.db2.gz MBYLHOMFSKRFBW-SECBINFHSA-N -1 0 362.316 -0.241 20 0 FBADRM COC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(=O)[O-] ZINC000547574311 484768809 /nfs/dbraw/zinc/76/88/09/484768809.db2.gz MBYLHOMFSKRFBW-VIFPVBQESA-N -1 0 362.316 -0.241 20 0 FBADRM CC(C)(C)OC(=O)C[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000547574428 484769165 /nfs/dbraw/zinc/76/91/65/484769165.db2.gz LACNQPWKGXIAQB-VIFPVBQESA-N -1 0 373.449 -0.475 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-] ZINC000547575384 484768866 /nfs/dbraw/zinc/76/88/66/484768866.db2.gz HTTCMHFBZFGDTI-LLVKDONJSA-N -1 0 366.417 -0.685 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-] ZINC000547575385 484768418 /nfs/dbraw/zinc/76/84/18/484768418.db2.gz HTTCMHFBZFGDTI-NSHDSACASA-N -1 0 366.417 -0.685 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](Cc2ccco2)C(=O)[O-])cc1 ZINC000547575880 484768618 /nfs/dbraw/zinc/76/86/18/484768618.db2.gz JOYDPWVAZUBEFG-GFCCVEGCSA-N -1 0 374.396 -0.099 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](Cc2ccco2)C(=O)[O-])cc1 ZINC000547575882 484769127 /nfs/dbraw/zinc/76/91/27/484769127.db2.gz JOYDPWVAZUBEFG-LBPRGKRZSA-N -1 0 374.396 -0.099 20 0 FBADRM Cc1nc(CNS(=O)(=O)CCCS(C)(=O)=O)ccc1C(=O)[O-] ZINC000547577564 484769104 /nfs/dbraw/zinc/76/91/04/484769104.db2.gz MQBOWCGBRSPYDS-UHFFFAOYSA-N -1 0 350.418 -0.058 20 0 FBADRM COC[C@H](NS(=O)(=O)c1sc(C(=O)OC)cc1OC)C(=O)[O-] ZINC000547577909 484768434 /nfs/dbraw/zinc/76/84/34/484768434.db2.gz TYEHAMFHGKBQGJ-LURJTMIESA-N -1 0 353.374 -0.079 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1sc(C(=O)OC)cc1OC)C(=O)[O-] ZINC000547577910 484768732 /nfs/dbraw/zinc/76/87/32/484768732.db2.gz TYEHAMFHGKBQGJ-ZCFIWIBFSA-N -1 0 353.374 -0.079 20 0 FBADRM COc1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1C(=O)N(C)C ZINC000547580073 484769039 /nfs/dbraw/zinc/76/90/39/484769039.db2.gz LEONNSSWUHZJTR-UHFFFAOYSA-N -1 0 360.388 -0.535 20 0 FBADRM Cn1cc(S(=O)(=O)N(CC(=O)[O-])Cc2ccccn2)cc1C(N)=O ZINC000547580497 484768550 /nfs/dbraw/zinc/76/85/50/484768550.db2.gz IULHWCWAKNYVPF-UHFFFAOYSA-N -1 0 352.372 -0.206 20 0 FBADRM C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1 ZINC000547580570 485123687 /nfs/dbraw/zinc/12/36/87/485123687.db2.gz DDVOANHMENAMTF-LBPRGKRZSA-N -1 0 369.399 -0.401 20 0 FBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000547581233 484769081 /nfs/dbraw/zinc/76/90/81/484769081.db2.gz CNKRGMJDADOALK-LLVKDONJSA-N -1 0 351.402 -0.190 20 0 FBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000547581234 484768988 /nfs/dbraw/zinc/76/89/88/484768988.db2.gz CNKRGMJDADOALK-NSHDSACASA-N -1 0 351.402 -0.190 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N(CC(=O)[O-])Cc1ccccn1 ZINC000547581301 484768999 /nfs/dbraw/zinc/76/89/99/484768999.db2.gz OHFBSTHQUSRQNC-UHFFFAOYSA-N -1 0 350.418 -0.267 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000547581875 484768956 /nfs/dbraw/zinc/76/89/56/484768956.db2.gz CLVKPRYIZVFAFG-KOLCDFICSA-N -1 0 361.397 -0.775 20 0 FBADRM COc1ccc(S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-])cc1C(N)=O ZINC000547582008 484768993 /nfs/dbraw/zinc/76/89/93/484768993.db2.gz NWJIYFNBWDNALR-SECBINFHSA-N -1 0 360.388 -0.360 20 0 FBADRM COc1ccc(S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-])cc1C(N)=O ZINC000547582009 484769004 /nfs/dbraw/zinc/76/90/04/484769004.db2.gz NWJIYFNBWDNALR-VIFPVBQESA-N -1 0 360.388 -0.360 20 0 FBADRM COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000547582115 484768422 /nfs/dbraw/zinc/76/84/22/484768422.db2.gz IHJDHFFSVLXGBF-JTQLQIEISA-N -1 0 358.372 -0.221 20 0 FBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000547582127 484768712 /nfs/dbraw/zinc/76/87/12/484768712.db2.gz IPPDKNCSDORJPU-JTQLQIEISA-N -1 0 355.376 -0.492 20 0 FBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000547582131 484769086 /nfs/dbraw/zinc/76/90/86/484769086.db2.gz IPPDKNCSDORJPU-SNVBAGLBSA-N -1 0 355.376 -0.492 20 0 FBADRM C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000547582160 485123412 /nfs/dbraw/zinc/12/34/12/485123412.db2.gz MGDXGBWSTRTXGR-DGCLKSJQSA-N -1 0 354.384 -0.189 20 0 FBADRM CCn1cc(S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-])c([N+](=O)[O-])n1 ZINC000547582827 484768401 /nfs/dbraw/zinc/76/84/01/484768401.db2.gz YCKOZVIURVXWOX-MRVPVSSYSA-N -1 0 350.353 -0.343 20 0 FBADRM CCn1cc(S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-])c([N+](=O)[O-])n1 ZINC000547582828 484768478 /nfs/dbraw/zinc/76/84/78/484768478.db2.gz YCKOZVIURVXWOX-QMMMGPOBSA-N -1 0 350.353 -0.343 20 0 FBADRM COc1cccc(OC)c1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000547583035 484768586 /nfs/dbraw/zinc/76/85/86/484768586.db2.gz VKGIJQUYTKNQRG-UHFFFAOYSA-N -1 0 356.360 -0.142 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])cc1 ZINC000547584115 484768979 /nfs/dbraw/zinc/76/89/79/484768979.db2.gz ATBHBGZGJSRULF-SECBINFHSA-N -1 0 352.415 -0.518 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-] ZINC000547584147 484769133 /nfs/dbraw/zinc/76/91/33/484769133.db2.gz BZHTVGQKDNHWCJ-SSDOTTSWSA-N -1 0 352.390 -0.224 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-] ZINC000547584148 484768965 /nfs/dbraw/zinc/76/89/65/484768965.db2.gz BZHTVGQKDNHWCJ-ZETCQYMHSA-N -1 0 352.390 -0.224 20 0 FBADRM CCS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC000547584163 484769122 /nfs/dbraw/zinc/76/91/22/484769122.db2.gz COFRAHWNWIRAMO-BXKDBHETSA-N -1 0 363.413 -0.311 20 0 FBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000547584266 484769111 /nfs/dbraw/zinc/76/91/11/484769111.db2.gz GRJXAWUKVOVBTN-JTQLQIEISA-N -1 0 356.400 -0.181 20 0 FBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000547584267 484768602 /nfs/dbraw/zinc/76/86/02/484768602.db2.gz GRJXAWUKVOVBTN-SNVBAGLBSA-N -1 0 356.400 -0.181 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N(CC(=O)[O-])Cc2ccccn2)cn1 ZINC000547585107 484768533 /nfs/dbraw/zinc/76/85/33/484768533.db2.gz ANQCCXSNDXXAHI-UHFFFAOYSA-N -1 0 368.371 -0.273 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(CCOC)CCC(=O)[O-])C1 ZINC000547585723 484768484 /nfs/dbraw/zinc/76/84/84/484768484.db2.gz BDIMNBNMWDWWFS-GFCCVEGCSA-N -1 0 366.436 -0.071 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(CCOC)CCC(=O)[O-])C1 ZINC000547585724 484769069 /nfs/dbraw/zinc/76/90/69/484769069.db2.gz BDIMNBNMWDWWFS-LBPRGKRZSA-N -1 0 366.436 -0.071 20 0 FBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000547586313 484768895 /nfs/dbraw/zinc/76/88/95/484768895.db2.gz WUIIUKDHVJFKQR-NEPJUHHUSA-N -1 0 370.383 -0.195 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000547586314 484768378 /nfs/dbraw/zinc/76/83/78/484768378.db2.gz WUIIUKDHVJFKQR-NWDGAFQWSA-N -1 0 370.383 -0.195 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000547586315 484769159 /nfs/dbraw/zinc/76/91/59/484769159.db2.gz WUIIUKDHVJFKQR-RYUDHWBXSA-N -1 0 370.383 -0.195 20 0 FBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000547586316 484769116 /nfs/dbraw/zinc/76/91/16/484769116.db2.gz WUIIUKDHVJFKQR-VXGBXAGGSA-N -1 0 370.383 -0.195 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000547586698 484768336 /nfs/dbraw/zinc/76/83/36/484768336.db2.gz ORIDUYRTPXMMAE-LLVKDONJSA-N -1 0 362.429 -0.056 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000547586699 484768855 /nfs/dbraw/zinc/76/88/55/484768855.db2.gz ORIDUYRTPXMMAE-NSHDSACASA-N -1 0 362.429 -0.056 20 0 FBADRM COCCN(CCC(=O)[O-])S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000547587514 484769074 /nfs/dbraw/zinc/76/90/74/484769074.db2.gz GLHHGCKOBGLXGN-UHFFFAOYSA-N -1 0 355.376 -0.226 20 0 FBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000547587766 484768943 /nfs/dbraw/zinc/76/89/43/484768943.db2.gz CKTBWJIBVRPAQH-GFCCVEGCSA-N -1 0 370.427 -0.002 20 0 FBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000547587767 484769175 /nfs/dbraw/zinc/76/91/75/484769175.db2.gz CKTBWJIBVRPAQH-LBPRGKRZSA-N -1 0 370.427 -0.002 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000547587870 484768387 /nfs/dbraw/zinc/76/83/87/484768387.db2.gz QSHKOUJNPKBKAM-LLVKDONJSA-N -1 0 356.466 -0.025 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000547587871 484768985 /nfs/dbraw/zinc/76/89/85/484768985.db2.gz QSHKOUJNPKBKAM-NSHDSACASA-N -1 0 356.466 -0.025 20 0 FBADRM CCOCCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000547589234 484768783 /nfs/dbraw/zinc/76/87/83/484768783.db2.gz PZJCFHFDKCUBGD-LLVKDONJSA-N -1 0 371.477 -0.047 20 0 FBADRM CCOCCN(C[C@H](C)C(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000547589235 484769065 /nfs/dbraw/zinc/76/90/65/484769065.db2.gz PZJCFHFDKCUBGD-NSHDSACASA-N -1 0 371.477 -0.047 20 0 FBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-] ZINC000547589677 484768917 /nfs/dbraw/zinc/76/89/17/484768917.db2.gz WTHRHCYNMMAHLU-NEPJUHHUSA-N -1 0 355.376 -0.445 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-] ZINC000547589683 484770277 /nfs/dbraw/zinc/77/02/77/484770277.db2.gz WTHRHCYNMMAHLU-NWDGAFQWSA-N -1 0 355.376 -0.445 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-] ZINC000547589684 484769758 /nfs/dbraw/zinc/76/97/58/484769758.db2.gz WTHRHCYNMMAHLU-RYUDHWBXSA-N -1 0 355.376 -0.445 20 0 FBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-] ZINC000547589685 484770034 /nfs/dbraw/zinc/77/00/34/484770034.db2.gz WTHRHCYNMMAHLU-VXGBXAGGSA-N -1 0 355.376 -0.445 20 0 FBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000547589734 484769877 /nfs/dbraw/zinc/76/98/77/484769877.db2.gz XNFVNFKMEVWPAZ-JTQLQIEISA-N -1 0 352.390 -0.946 20 0 FBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000547589736 484769978 /nfs/dbraw/zinc/76/99/78/484769978.db2.gz XNFVNFKMEVWPAZ-SNVBAGLBSA-N -1 0 352.390 -0.946 20 0 FBADRM C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000547590237 485124629 /nfs/dbraw/zinc/12/46/29/485124629.db2.gz MGDXGBWSTRTXGR-YPMHNXCESA-N -1 0 354.384 -0.189 20 0 FBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000547590522 484770231 /nfs/dbraw/zinc/77/02/31/484770231.db2.gz ADKUXWXKQGOVPK-SECBINFHSA-N -1 0 366.417 -0.820 20 0 FBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000547590523 484769711 /nfs/dbraw/zinc/76/97/11/484769711.db2.gz ADKUXWXKQGOVPK-VIFPVBQESA-N -1 0 366.417 -0.820 20 0 FBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000547590717 484770191 /nfs/dbraw/zinc/77/01/91/484770191.db2.gz JJSDUQCOSGFVQK-MRVPVSSYSA-N -1 0 371.371 -0.113 20 0 FBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000547590718 484769921 /nfs/dbraw/zinc/76/99/21/484769921.db2.gz JJSDUQCOSGFVQK-QMMMGPOBSA-N -1 0 371.371 -0.113 20 0 FBADRM Cn1cc(S(=O)(=O)N(CC(=O)[O-])C2CCCCC2)c(=O)n(C)c1=O ZINC000547590859 484769829 /nfs/dbraw/zinc/76/98/29/484769829.db2.gz PPIPLSJVEUAIBK-UHFFFAOYSA-N -1 0 359.404 -0.508 20 0 FBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000547591176 484769653 /nfs/dbraw/zinc/76/96/53/484769653.db2.gz DSTLJPOFNUJBJC-CYBMUJFWSA-N -1 0 356.400 -0.128 20 0 FBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000547591177 484770117 /nfs/dbraw/zinc/77/01/17/484770117.db2.gz DSTLJPOFNUJBJC-ZDUSSCGKSA-N -1 0 356.400 -0.128 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)[C@H](COC)C(=O)[O-])C1 ZINC000547591692 484769905 /nfs/dbraw/zinc/76/99/05/484769905.db2.gz XZJYVHTYAUUYLR-GHMZBOCLSA-N -1 0 352.409 -0.462 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)[C@@H](COC)C(=O)[O-])C1 ZINC000547591693 484770163 /nfs/dbraw/zinc/77/01/63/484770163.db2.gz XZJYVHTYAUUYLR-MNOVXSKESA-N -1 0 352.409 -0.462 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(C)[C@@H](COC)C(=O)[O-])C1 ZINC000547591694 484770104 /nfs/dbraw/zinc/77/01/04/484770104.db2.gz XZJYVHTYAUUYLR-QWRGUYRKSA-N -1 0 352.409 -0.462 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(C)[C@H](COC)C(=O)[O-])C1 ZINC000547591695 484769738 /nfs/dbraw/zinc/76/97/38/484769738.db2.gz XZJYVHTYAUUYLR-WDEREUQCSA-N -1 0 352.409 -0.462 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N(C)[C@H](COC)C(=O)[O-])CC1 ZINC000547591713 484769790 /nfs/dbraw/zinc/76/97/90/484769790.db2.gz YXNQJOJPYQUTRW-LLVKDONJSA-N -1 0 352.409 -0.462 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N(C)[C@@H](COC)C(=O)[O-])CC1 ZINC000547591714 484770110 /nfs/dbraw/zinc/77/01/10/484770110.db2.gz YXNQJOJPYQUTRW-NSHDSACASA-N -1 0 352.409 -0.462 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-] ZINC000547591972 484769798 /nfs/dbraw/zinc/76/97/98/484769798.db2.gz KULJXHZNLURMEK-GHMZBOCLSA-N -1 0 352.409 -0.584 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-] ZINC000547591973 484769960 /nfs/dbraw/zinc/76/99/60/484769960.db2.gz KULJXHZNLURMEK-MNOVXSKESA-N -1 0 352.409 -0.584 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-] ZINC000547591974 484770040 /nfs/dbraw/zinc/77/00/40/484770040.db2.gz KULJXHZNLURMEK-QWRGUYRKSA-N -1 0 352.409 -0.584 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-] ZINC000547591975 484769814 /nfs/dbraw/zinc/76/98/14/484769814.db2.gz KULJXHZNLURMEK-WDEREUQCSA-N -1 0 352.409 -0.584 20 0 FBADRM COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1C(=O)N(C)C ZINC000547592062 484770072 /nfs/dbraw/zinc/77/00/72/484770072.db2.gz PBDULNPNYWHGER-BXKDBHETSA-N -1 0 372.399 -0.395 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000547592086 484770100 /nfs/dbraw/zinc/77/01/00/484770100.db2.gz QHTKSTBLCZFDQV-YPMHNXCESA-N -1 0 366.395 -0.270 20 0 FBADRM Cc1nn2cc(S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])cnc2c1Cl ZINC000547592093 484770266 /nfs/dbraw/zinc/77/02/66/484770266.db2.gz QMDOVOWIWCCBDR-APPZFPTMSA-N -1 0 360.779 -0.100 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1Cn1cncn1 ZINC000547592194 484769870 /nfs/dbraw/zinc/76/98/70/484769870.db2.gz VVZQRNXIQWFKSX-NEPJUHHUSA-N -1 0 352.372 -0.465 20 0 FBADRM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000547592244 484770139 /nfs/dbraw/zinc/77/01/39/484770139.db2.gz YHTHSGZBOOIHFU-GUBZILKMSA-N -1 0 350.393 -0.644 20 0 FBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000547592245 484769884 /nfs/dbraw/zinc/76/98/84/484769884.db2.gz YHTHSGZBOOIHFU-KXUCPTDWSA-N -1 0 350.393 -0.644 20 0 FBADRM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000547592246 484769663 /nfs/dbraw/zinc/76/96/63/484769663.db2.gz YHTHSGZBOOIHFU-LPEHRKFASA-N -1 0 350.393 -0.644 20 0 FBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000547592247 484769746 /nfs/dbraw/zinc/76/97/46/484769746.db2.gz YHTHSGZBOOIHFU-UTLUCORTSA-N -1 0 350.393 -0.644 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@@H]1C(=O)[O-] ZINC000547592822 484769853 /nfs/dbraw/zinc/76/98/53/484769853.db2.gz JUJLMPGVHUCQKI-CPCISQLKSA-N -1 0 353.356 -0.300 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@@H]1C(=O)[O-] ZINC000547592823 484769630 /nfs/dbraw/zinc/76/96/30/484769630.db2.gz JUJLMPGVHUCQKI-HQJQHLMTSA-N -1 0 353.356 -0.300 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@H]1C(=O)[O-] ZINC000547592824 484770084 /nfs/dbraw/zinc/77/00/84/484770084.db2.gz JUJLMPGVHUCQKI-RDDDGLTNSA-N -1 0 353.356 -0.300 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@H]1C(=O)[O-] ZINC000547592825 484769689 /nfs/dbraw/zinc/76/96/89/484769689.db2.gz JUJLMPGVHUCQKI-WRWORJQWSA-N -1 0 353.356 -0.300 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1OC ZINC000547593161 484770150 /nfs/dbraw/zinc/77/01/50/484770150.db2.gz QTDHMRIRNCPHDM-LLVKDONJSA-N -1 0 359.356 -0.044 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])ccc1OC ZINC000547593162 484769682 /nfs/dbraw/zinc/76/96/82/484769682.db2.gz QTDHMRIRNCPHDM-NSHDSACASA-N -1 0 359.356 -0.044 20 0 FBADRM CSCC[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000547593200 484769892 /nfs/dbraw/zinc/76/98/92/484769892.db2.gz REOGLSXBVNUAGQ-JTQLQIEISA-N -1 0 368.458 -0.181 20 0 FBADRM Cc1cc(CS(=O)(=O)N2CC[C@@H](N3C[C@H](C(=O)[O-])CC3=O)C2)on1 ZINC000547593272 484770025 /nfs/dbraw/zinc/77/00/25/484770025.db2.gz RWTBNSAIDUHAFZ-GHMZBOCLSA-N -1 0 357.388 -0.180 20 0 FBADRM Cc1cc(CS(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)[O-])CC3=O)C2)on1 ZINC000547593273 484770235 /nfs/dbraw/zinc/77/02/35/484770235.db2.gz RWTBNSAIDUHAFZ-MNOVXSKESA-N -1 0 357.388 -0.180 20 0 FBADRM Cc1cc(CS(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)on1 ZINC000547593274 484769807 /nfs/dbraw/zinc/76/98/07/484769807.db2.gz RWTBNSAIDUHAFZ-QWRGUYRKSA-N -1 0 357.388 -0.180 20 0 FBADRM Cc1cc(CS(=O)(=O)N2CC[C@@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)on1 ZINC000547593275 484769695 /nfs/dbraw/zinc/76/96/95/484769695.db2.gz RWTBNSAIDUHAFZ-WDEREUQCSA-N -1 0 357.388 -0.180 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)c1 ZINC000547594185 484770047 /nfs/dbraw/zinc/77/00/47/484770047.db2.gz DNIMSRSCJZWIQD-APPZFPTMSA-N -1 0 360.344 -0.595 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)c1 ZINC000547594187 484770271 /nfs/dbraw/zinc/77/02/71/484770271.db2.gz DNIMSRSCJZWIQD-CBAPKCEASA-N -1 0 360.344 -0.595 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)c1 ZINC000547594189 484769858 /nfs/dbraw/zinc/76/98/58/484769858.db2.gz DNIMSRSCJZWIQD-IONNQARKSA-N -1 0 360.344 -0.595 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)c1 ZINC000547594191 484769705 /nfs/dbraw/zinc/76/97/05/484769705.db2.gz DNIMSRSCJZWIQD-VXNVDRBHSA-N -1 0 360.344 -0.595 20 0 FBADRM CCCSC[C@H](NS(=O)(=O)c1cnn(CC(=O)OC)c1)C(=O)[O-] ZINC000547594405 484769902 /nfs/dbraw/zinc/76/99/02/484769902.db2.gz BADGLVGARNAUOH-JTQLQIEISA-N -1 0 365.433 -0.069 20 0 FBADRM CCCSC[C@@H](NS(=O)(=O)c1cnn(CC(=O)OC)c1)C(=O)[O-] ZINC000547594409 484769821 /nfs/dbraw/zinc/76/98/21/484769821.db2.gz BADGLVGARNAUOH-SNVBAGLBSA-N -1 0 365.433 -0.069 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)o1 ZINC000547595305 484770293 /nfs/dbraw/zinc/77/02/93/484770293.db2.gz KRYOWNMYZHDQRW-BDAKNGLRSA-N -1 0 374.371 -0.205 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)o1 ZINC000547595306 484769954 /nfs/dbraw/zinc/76/99/54/484769954.db2.gz KRYOWNMYZHDQRW-DTWKUNHWSA-N -1 0 374.371 -0.205 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)o1 ZINC000547595307 484770067 /nfs/dbraw/zinc/77/00/67/484770067.db2.gz KRYOWNMYZHDQRW-IUCAKERBSA-N -1 0 374.371 -0.205 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)o1 ZINC000547595308 484770158 /nfs/dbraw/zinc/77/01/58/484770158.db2.gz KRYOWNMYZHDQRW-RKDXNWHRSA-N -1 0 374.371 -0.205 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N(CCOC)[C@H](C)C(=O)[O-])CC1 ZINC000547595940 484769644 /nfs/dbraw/zinc/76/96/44/484769644.db2.gz ASSJDVFPUWPBHL-LLVKDONJSA-N -1 0 366.436 -0.072 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N(CCOC)[C@@H](C)C(=O)[O-])CC1 ZINC000547595941 484770219 /nfs/dbraw/zinc/77/02/19/484770219.db2.gz ASSJDVFPUWPBHL-NSHDSACASA-N -1 0 366.436 -0.072 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])ccc1OC ZINC000547596475 484770002 /nfs/dbraw/zinc/77/00/02/484770002.db2.gz GPIKFLSQYPDMMM-JTQLQIEISA-N -1 0 374.371 -0.521 20 0 FBADRM N#CC1(CS(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])CCCC1 ZINC000547596579 485124645 /nfs/dbraw/zinc/12/46/45/485124645.db2.gz CVBJOSVKXKYZMG-LLVKDONJSA-N -1 0 364.445 -0.026 20 0 FBADRM N#CC1(CS(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])CCCC1 ZINC000547596580 485124174 /nfs/dbraw/zinc/12/41/74/485124174.db2.gz CVBJOSVKXKYZMG-NSHDSACASA-N -1 0 364.445 -0.026 20 0 FBADRM CCOC(=O)CCCS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000547596884 484770174 /nfs/dbraw/zinc/77/01/74/484770174.db2.gz WDNARCHXXNTKGG-JTQLQIEISA-N -1 0 371.433 -0.767 20 0 FBADRM CCOC(=O)CCCS(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000547596885 484769761 /nfs/dbraw/zinc/76/97/61/484769761.db2.gz WDNARCHXXNTKGG-SNVBAGLBSA-N -1 0 371.433 -0.767 20 0 FBADRM CCn1cnc(S(=O)(=O)N2CC[C@@H](N3C[C@H](C(=O)[O-])CC3=O)C2)c1 ZINC000547597182 484770197 /nfs/dbraw/zinc/77/01/97/484770197.db2.gz KUQUXUOGKCVQSZ-GHMZBOCLSA-N -1 0 356.404 -0.401 20 0 FBADRM CCn1cnc(S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)[O-])CC3=O)C2)c1 ZINC000547597184 484769672 /nfs/dbraw/zinc/76/96/72/484769672.db2.gz KUQUXUOGKCVQSZ-MNOVXSKESA-N -1 0 356.404 -0.401 20 0 FBADRM CCn1cnc(S(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)c1 ZINC000547597185 484770093 /nfs/dbraw/zinc/77/00/93/484770093.db2.gz KUQUXUOGKCVQSZ-QWRGUYRKSA-N -1 0 356.404 -0.401 20 0 FBADRM CCn1cnc(S(=O)(=O)N2CC[C@@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)c1 ZINC000547597186 484770181 /nfs/dbraw/zinc/77/01/81/484770181.db2.gz KUQUXUOGKCVQSZ-WDEREUQCSA-N -1 0 356.404 -0.401 20 0 FBADRM Cn1cnc2cc(S(=O)(=O)N3CC[C@@H](C(=O)[O-])C[C@@H]3C(N)=O)ccc21 ZINC000547598369 484770186 /nfs/dbraw/zinc/77/01/86/484770186.db2.gz YAGYFBHHBYIMOT-NOZJJQNGSA-N -1 0 366.399 -0.088 20 0 FBADRM Cn1cnc2cc(S(=O)(=O)N3CC[C@@H](C(=O)[O-])C[C@H]3C(N)=O)ccc21 ZINC000547598370 484769865 /nfs/dbraw/zinc/76/98/65/484769865.db2.gz YAGYFBHHBYIMOT-RNCFNFMXSA-N -1 0 366.399 -0.088 20 0 FBADRM Cn1cnc2cc(S(=O)(=O)N3CC[C@H](C(=O)[O-])C[C@@H]3C(N)=O)ccc21 ZINC000547598371 484769622 /nfs/dbraw/zinc/76/96/22/484769622.db2.gz YAGYFBHHBYIMOT-TVQRCGJNSA-N -1 0 366.399 -0.088 20 0 FBADRM Cn1cnc2cc(S(=O)(=O)N3CC[C@H](C(=O)[O-])C[C@H]3C(N)=O)ccc21 ZINC000547598372 484769752 /nfs/dbraw/zinc/76/97/52/484769752.db2.gz YAGYFBHHBYIMOT-ZANVPECISA-N -1 0 366.399 -0.088 20 0 FBADRM CCn1cncc1S(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000547598507 484770206 /nfs/dbraw/zinc/77/02/06/484770206.db2.gz HECXFZDBUHJINS-GHMZBOCLSA-N -1 0 356.404 -0.401 20 0 FBADRM CCn1cncc1S(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000547598509 484769608 /nfs/dbraw/zinc/76/96/08/484769608.db2.gz HECXFZDBUHJINS-MNOVXSKESA-N -1 0 356.404 -0.401 20 0 FBADRM CCn1cncc1S(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000547598511 484769915 /nfs/dbraw/zinc/76/99/15/484769915.db2.gz HECXFZDBUHJINS-QWRGUYRKSA-N -1 0 356.404 -0.401 20 0 FBADRM CCn1cncc1S(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000547598513 484770144 /nfs/dbraw/zinc/77/01/44/484770144.db2.gz HECXFZDBUHJINS-WDEREUQCSA-N -1 0 356.404 -0.401 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)C[C@@H]3CCCCO3)C2)C1 ZINC000547598602 484769897 /nfs/dbraw/zinc/76/98/97/484769897.db2.gz INUACAZJWYAHPT-AGIUHOORSA-N -1 0 360.432 -0.107 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)C[C@H]3CCCCO3)C2)C1 ZINC000547598603 484770202 /nfs/dbraw/zinc/77/02/02/484770202.db2.gz INUACAZJWYAHPT-FRRDWIJNSA-N -1 0 360.432 -0.107 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)C[C@H]3CCCCO3)C2)C1 ZINC000547598604 484769769 /nfs/dbraw/zinc/76/97/69/484769769.db2.gz INUACAZJWYAHPT-JHJVBQTASA-N -1 0 360.432 -0.107 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)C[C@@H]3CCCCO3)C2)C1 ZINC000547598605 484769785 /nfs/dbraw/zinc/76/97/85/484769785.db2.gz INUACAZJWYAHPT-UPJWGTAASA-N -1 0 360.432 -0.107 20 0 FBADRM CCCN(CC1CC1)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000547598791 484769844 /nfs/dbraw/zinc/76/98/44/484769844.db2.gz ODFYZDAFSRJWOP-GFCCVEGCSA-N -1 0 368.477 -0.073 20 0 FBADRM CCCN(CC1CC1)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000547598792 484769938 /nfs/dbraw/zinc/76/99/38/484769938.db2.gz ODFYZDAFSRJWOP-LBPRGKRZSA-N -1 0 368.477 -0.073 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000547598914 484770282 /nfs/dbraw/zinc/77/02/82/484770282.db2.gz SFWAFWLUUWSIFQ-UHFFFAOYSA-N -1 0 363.417 -0.381 20 0 FBADRM CCc1ncc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])s1 ZINC000547599134 484769973 /nfs/dbraw/zinc/76/99/73/484769973.db2.gz ZVAZESFIHJUIMW-MRVPVSSYSA-N -1 0 368.458 -0.032 20 0 FBADRM CCc1ncc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])s1 ZINC000547599135 484769837 /nfs/dbraw/zinc/76/98/37/484769837.db2.gz ZVAZESFIHJUIMW-QMMMGPOBSA-N -1 0 368.458 -0.032 20 0 FBADRM CCCSC[C@@H](NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-] ZINC000547600003 484770130 /nfs/dbraw/zinc/77/01/30/484770130.db2.gz OHWHWJORSDPFKE-SECBINFHSA-N -1 0 362.495 -0.559 20 0 FBADRM CCCSC[C@H](NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-] ZINC000547600004 484770215 /nfs/dbraw/zinc/77/02/15/484770215.db2.gz OHWHWJORSDPFKE-VIFPVBQESA-N -1 0 362.495 -0.559 20 0 FBADRM NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000547600993 484769965 /nfs/dbraw/zinc/76/99/65/484769965.db2.gz WKQOUIIHIFBDMT-PSASIEDQSA-N -1 0 352.372 -0.098 20 0 FBADRM NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000547600994 484771021 /nfs/dbraw/zinc/77/10/21/484771021.db2.gz WKQOUIIHIFBDMT-SCZZXKLOSA-N -1 0 352.372 -0.098 20 0 FBADRM NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000547600995 484771038 /nfs/dbraw/zinc/77/10/38/484771038.db2.gz WKQOUIIHIFBDMT-WCBMZHEXSA-N -1 0 352.372 -0.098 20 0 FBADRM NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000547600997 484770984 /nfs/dbraw/zinc/77/09/84/484770984.db2.gz WKQOUIIHIFBDMT-WPRPVWTQSA-N -1 0 352.372 -0.098 20 0 FBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000547603767 484770954 /nfs/dbraw/zinc/77/09/54/484770954.db2.gz SFNRSCYCZBLYGF-BQJASPMPSA-N -1 0 367.445 -0.435 20 0 FBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000547603768 484771085 /nfs/dbraw/zinc/77/10/85/484771085.db2.gz SFNRSCYCZBLYGF-HOGVUZMVSA-N -1 0 367.445 -0.435 20 0 FBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000547603769 484770660 /nfs/dbraw/zinc/77/06/60/484770660.db2.gz SFNRSCYCZBLYGF-LQTSUBNHSA-N -1 0 367.445 -0.435 20 0 FBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000547603770 484770932 /nfs/dbraw/zinc/77/09/32/484770932.db2.gz SFNRSCYCZBLYGF-LVJYMCNVSA-N -1 0 367.445 -0.435 20 0 FBADRM CN(CC(C)(C)C(=O)[O-])S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000547603800 484771102 /nfs/dbraw/zinc/77/11/02/484771102.db2.gz YFLKUDQTDVYLPY-UHFFFAOYSA-N -1 0 370.387 -0.235 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])cn1C ZINC000547604973 484770719 /nfs/dbraw/zinc/77/07/19/484770719.db2.gz GRWAEDLCHPODNH-MGUXCZDKSA-N -1 0 364.401 -0.982 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])cn1C ZINC000547604974 484771043 /nfs/dbraw/zinc/77/10/43/484771043.db2.gz GRWAEDLCHPODNH-MLMJSJRWSA-N -1 0 364.401 -0.982 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])cn1C ZINC000547604975 484770620 /nfs/dbraw/zinc/77/06/20/484770620.db2.gz GRWAEDLCHPODNH-STFLBKPXSA-N -1 0 364.401 -0.982 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])cn1C ZINC000547604976 484771124 /nfs/dbraw/zinc/77/11/24/484771124.db2.gz GRWAEDLCHPODNH-ZQJOYCHOSA-N -1 0 364.401 -0.982 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000547605141 484770977 /nfs/dbraw/zinc/77/09/77/484770977.db2.gz XNCZDTARTVUMRV-LURJTMIESA-N -1 0 370.386 -0.471 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000547605142 484770712 /nfs/dbraw/zinc/77/07/12/484770712.db2.gz XNCZDTARTVUMRV-ZCFIWIBFSA-N -1 0 370.386 -0.471 20 0 FBADRM CCn1cnc(S(=O)(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1 ZINC000547605487 484770824 /nfs/dbraw/zinc/77/08/24/484770824.db2.gz GKGLKTCORFQADI-LLVKDONJSA-N -1 0 370.431 -0.011 20 0 FBADRM CCn1cnc(S(=O)(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1 ZINC000547605488 484770943 /nfs/dbraw/zinc/77/09/43/484770943.db2.gz GKGLKTCORFQADI-NSHDSACASA-N -1 0 370.431 -0.011 20 0 FBADRM CN1CCc2ccc(S(=O)(=O)N3CC[S@](=O)C[C@@H]3C(=O)[O-])cc21 ZINC000547605526 484770861 /nfs/dbraw/zinc/77/08/61/484770861.db2.gz MNYFHJMCFZXLHX-DMZKTXOQSA-N -1 0 358.441 -0.115 20 0 FBADRM CN1CCc2ccc(S(=O)(=O)N3CC[S@@](=O)C[C@@H]3C(=O)[O-])cc21 ZINC000547605527 484771165 /nfs/dbraw/zinc/77/11/65/484771165.db2.gz MNYFHJMCFZXLHX-MCMMXHMISA-N -1 0 358.441 -0.115 20 0 FBADRM CN1CCc2ccc(S(=O)(=O)N3CC[S@@](=O)C[C@H]3C(=O)[O-])cc21 ZINC000547605528 484771298 /nfs/dbraw/zinc/77/12/98/484771298.db2.gz MNYFHJMCFZXLHX-WHEQGISXSA-N -1 0 358.441 -0.115 20 0 FBADRM CN1CCc2ccc(S(=O)(=O)N3CC[S@](=O)C[C@H]3C(=O)[O-])cc21 ZINC000547605529 484771180 /nfs/dbraw/zinc/77/11/80/484771180.db2.gz MNYFHJMCFZXLHX-XMHCIUCPSA-N -1 0 358.441 -0.115 20 0 FBADRM CCc1ncc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])s1 ZINC000547605556 484771130 /nfs/dbraw/zinc/77/11/30/484771130.db2.gz SJYBCYZHUPWOKG-SSDOTTSWSA-N -1 0 354.431 -0.422 20 0 FBADRM CCc1ncc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])s1 ZINC000547605557 484771159 /nfs/dbraw/zinc/77/11/59/484771159.db2.gz SJYBCYZHUPWOKG-ZETCQYMHSA-N -1 0 354.431 -0.422 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CCCC(F)(F)F ZINC000547605570 484770938 /nfs/dbraw/zinc/77/09/38/484770938.db2.gz SXIJMWVZALTJKW-SSDOTTSWSA-N -1 0 353.340 -0.158 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CCCC(F)(F)F ZINC000547605571 484771293 /nfs/dbraw/zinc/77/12/93/484771293.db2.gz SXIJMWVZALTJKW-ZETCQYMHSA-N -1 0 353.340 -0.158 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)N1CCc2ccccc2C1 ZINC000547605870 484770818 /nfs/dbraw/zinc/77/08/18/484770818.db2.gz FIVWJQVVBPIZJE-CYBMUJFWSA-N -1 0 374.440 -0.527 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)N1CCc2ccccc2C1 ZINC000547605871 484770903 /nfs/dbraw/zinc/77/09/03/484770903.db2.gz FIVWJQVVBPIZJE-ZDUSSCGKSA-N -1 0 374.440 -0.527 20 0 FBADRM CN(CCC#N)S(=O)(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000547605882 485124092 /nfs/dbraw/zinc/12/40/92/485124092.db2.gz HJIOIVWEEWTBTJ-LLVKDONJSA-N -1 0 358.420 -0.526 20 0 FBADRM CN(CCC#N)S(=O)(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000547605883 485124180 /nfs/dbraw/zinc/12/41/80/485124180.db2.gz HJIOIVWEEWTBTJ-NSHDSACASA-N -1 0 358.420 -0.526 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC000547605895 484770832 /nfs/dbraw/zinc/77/08/32/484770832.db2.gz IBVIQQKGDYIICP-GFCCVEGCSA-N -1 0 361.397 -0.239 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC000547605896 484770633 /nfs/dbraw/zinc/77/06/33/484770633.db2.gz IBVIQQKGDYIICP-LBPRGKRZSA-N -1 0 361.397 -0.239 20 0 FBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000547606445 484770726 /nfs/dbraw/zinc/77/07/26/484770726.db2.gz NEQHHEYLGBWQTO-KPWVOAKYSA-N -1 0 362.385 -0.058 20 0 FBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000547606446 484770989 /nfs/dbraw/zinc/77/09/89/484770989.db2.gz NEQHHEYLGBWQTO-RKFFSXRUSA-N -1 0 362.385 -0.058 20 0 FBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000547606447 484770980 /nfs/dbraw/zinc/77/09/80/484770980.db2.gz NEQHHEYLGBWQTO-SAHAZLINSA-N -1 0 362.385 -0.058 20 0 FBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000547606448 484771215 /nfs/dbraw/zinc/77/12/15/484771215.db2.gz NEQHHEYLGBWQTO-XFNZEKPQSA-N -1 0 362.385 -0.058 20 0 FBADRM COC(=O)c1sccc1S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000547606453 484770909 /nfs/dbraw/zinc/77/09/09/484770909.db2.gz NZHMXDJTESQYGW-MWAODPMSSA-N -1 0 367.426 -0.259 20 0 FBADRM COC(=O)c1sccc1S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000547606454 484771081 /nfs/dbraw/zinc/77/10/81/484771081.db2.gz NZHMXDJTESQYGW-QFWYVNQISA-N -1 0 367.426 -0.259 20 0 FBADRM COC(=O)c1sccc1S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000547606455 484771064 /nfs/dbraw/zinc/77/10/64/484771064.db2.gz NZHMXDJTESQYGW-SGWXMTNESA-N -1 0 367.426 -0.259 20 0 FBADRM COC(=O)c1sccc1S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000547606456 484771068 /nfs/dbraw/zinc/77/10/68/484771068.db2.gz NZHMXDJTESQYGW-WODJRTHDSA-N -1 0 367.426 -0.259 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])o1 ZINC000547606529 484771188 /nfs/dbraw/zinc/77/11/88/484771188.db2.gz PTSTWNGIWCJREB-CWMRNNLJSA-N -1 0 365.385 -0.338 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])o1 ZINC000547606530 484771287 /nfs/dbraw/zinc/77/12/87/484771287.db2.gz PTSTWNGIWCJREB-PJLCYMMNSA-N -1 0 365.385 -0.338 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])o1 ZINC000547606531 484771088 /nfs/dbraw/zinc/77/10/88/484771088.db2.gz PTSTWNGIWCJREB-QSIZCVBASA-N -1 0 365.385 -0.338 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])o1 ZINC000547606532 484771220 /nfs/dbraw/zinc/77/12/20/484771220.db2.gz PTSTWNGIWCJREB-ZCAPAMDOSA-N -1 0 365.385 -0.338 20 0 FBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000547606627 484771123 /nfs/dbraw/zinc/77/11/23/484771123.db2.gz UNHLQYGPEKLSBQ-DAOPMYJZSA-N -1 0 372.424 -0.821 20 0 FBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000547606628 484770837 /nfs/dbraw/zinc/77/08/37/484770837.db2.gz UNHLQYGPEKLSBQ-MYODQAERSA-N -1 0 372.424 -0.821 20 0 FBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000547606629 484770703 /nfs/dbraw/zinc/77/07/03/484770703.db2.gz UNHLQYGPEKLSBQ-SFDCACGMSA-N -1 0 372.424 -0.821 20 0 FBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000547606630 484771254 /nfs/dbraw/zinc/77/12/54/484771254.db2.gz UNHLQYGPEKLSBQ-SPSFWMDKSA-N -1 0 372.424 -0.821 20 0 FBADRM COC(=O)c1csc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])c1 ZINC000547606647 484771184 /nfs/dbraw/zinc/77/11/84/484771184.db2.gz VPOWKIQPXQKZFC-HXNGOWOSSA-N -1 0 367.426 -0.259 20 0 FBADRM COC(=O)c1csc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])c1 ZINC000547606648 484770964 /nfs/dbraw/zinc/77/09/64/484770964.db2.gz VPOWKIQPXQKZFC-IJSAXESFSA-N -1 0 367.426 -0.259 20 0 FBADRM COC(=O)c1csc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])c1 ZINC000547606649 484771134 /nfs/dbraw/zinc/77/11/34/484771134.db2.gz VPOWKIQPXQKZFC-PPRQPISWSA-N -1 0 367.426 -0.259 20 0 FBADRM COC(=O)c1csc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])c1 ZINC000547606650 484771118 /nfs/dbraw/zinc/77/11/18/484771118.db2.gz VPOWKIQPXQKZFC-ZEDNOMKYSA-N -1 0 367.426 -0.259 20 0 FBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)N1CCc2ccccc2C1 ZINC000547606669 484771266 /nfs/dbraw/zinc/77/12/66/484771266.db2.gz WPKRSXJLCVKUTD-DMZKTXOQSA-N -1 0 358.441 -0.193 20 0 FBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)N1CCc2ccccc2C1 ZINC000547606670 484771260 /nfs/dbraw/zinc/77/12/60/484771260.db2.gz WPKRSXJLCVKUTD-MCMMXHMISA-N -1 0 358.441 -0.193 20 0 FBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)N1CCc2ccccc2C1 ZINC000547606671 484770957 /nfs/dbraw/zinc/77/09/57/484770957.db2.gz WPKRSXJLCVKUTD-WHEQGISXSA-N -1 0 358.441 -0.193 20 0 FBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)N1CCc2ccccc2C1 ZINC000547606672 484771026 /nfs/dbraw/zinc/77/10/26/484771026.db2.gz WPKRSXJLCVKUTD-XMHCIUCPSA-N -1 0 358.441 -0.193 20 0 FBADRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000547606675 484771229 /nfs/dbraw/zinc/77/12/29/484771229.db2.gz WXOBNMJORBOTGX-DJNLSKAYSA-N -1 0 373.368 -0.327 20 0 FBADRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000547606676 484771001 /nfs/dbraw/zinc/77/10/01/484771001.db2.gz WXOBNMJORBOTGX-SDWAUSNYSA-N -1 0 373.368 -0.327 20 0 FBADRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000547606677 484771053 /nfs/dbraw/zinc/77/10/53/484771053.db2.gz WXOBNMJORBOTGX-VCGICTTQSA-N -1 0 373.368 -0.327 20 0 FBADRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000547606678 484771249 /nfs/dbraw/zinc/77/12/49/484771249.db2.gz WXOBNMJORBOTGX-WYVULQQZSA-N -1 0 373.368 -0.327 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)C1 ZINC000547606799 484770927 /nfs/dbraw/zinc/77/09/27/484770927.db2.gz IBOIHUINQQDVPR-NEPJUHHUSA-N -1 0 359.448 -0.030 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)C1 ZINC000547606800 484770747 /nfs/dbraw/zinc/77/07/47/484770747.db2.gz IBOIHUINQQDVPR-NWDGAFQWSA-N -1 0 359.448 -0.030 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)C1 ZINC000547606801 484770673 /nfs/dbraw/zinc/77/06/73/484770673.db2.gz IBOIHUINQQDVPR-RYUDHWBXSA-N -1 0 359.448 -0.030 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)C1 ZINC000547606802 484771013 /nfs/dbraw/zinc/77/10/13/484771013.db2.gz IBOIHUINQQDVPR-VXGBXAGGSA-N -1 0 359.448 -0.030 20 0 FBADRM CCn1nc(C)c(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1C ZINC000547607028 484771225 /nfs/dbraw/zinc/77/12/25/484771225.db2.gz VCASPPWTWNRGGD-JTQLQIEISA-N -1 0 365.433 -0.608 20 0 FBADRM CCn1nc(C)c(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1C ZINC000547607029 484770786 /nfs/dbraw/zinc/77/07/86/484770786.db2.gz VCASPPWTWNRGGD-SNVBAGLBSA-N -1 0 365.433 -0.608 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1cccc(F)c1 ZINC000547607134 484771175 /nfs/dbraw/zinc/77/11/75/484771175.db2.gz OXDSVLVUOYSBPE-LLVKDONJSA-N -1 0 351.377 -0.161 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1cccc(F)c1 ZINC000547607135 484770894 /nfs/dbraw/zinc/77/08/94/484770894.db2.gz OXDSVLVUOYSBPE-NSHDSACASA-N -1 0 351.377 -0.161 20 0 FBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000547607259 484770950 /nfs/dbraw/zinc/77/09/50/484770950.db2.gz MAAQLVRGNYGZBJ-AUADJRAKSA-N -1 0 360.369 -0.260 20 0 FBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000547607260 484770869 /nfs/dbraw/zinc/77/08/69/484770869.db2.gz MAAQLVRGNYGZBJ-CLTRCRFRSA-N -1 0 360.369 -0.260 20 0 FBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000547607262 484770755 /nfs/dbraw/zinc/77/07/55/484770755.db2.gz MAAQLVRGNYGZBJ-GTUYJWLHSA-N -1 0 360.369 -0.260 20 0 FBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000547607264 484771246 /nfs/dbraw/zinc/77/12/46/484771246.db2.gz MAAQLVRGNYGZBJ-PVBMHHQDSA-N -1 0 360.369 -0.260 20 0 FBADRM COc1ccc(OC)c(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])c1 ZINC000547607506 484771049 /nfs/dbraw/zinc/77/10/49/484771049.db2.gz ZOORAYGFJQWRJI-MGUXCZDKSA-N -1 0 363.413 -0.090 20 0 FBADRM COc1ccc(OC)c(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])c1 ZINC000547607507 484770793 /nfs/dbraw/zinc/77/07/93/484770793.db2.gz ZOORAYGFJQWRJI-MLMJSJRWSA-N -1 0 363.413 -0.090 20 0 FBADRM COc1ccc(OC)c(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])c1 ZINC000547607508 484770762 /nfs/dbraw/zinc/77/07/62/484770762.db2.gz ZOORAYGFJQWRJI-STFLBKPXSA-N -1 0 363.413 -0.090 20 0 FBADRM COc1ccc(OC)c(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])c1 ZINC000547607509 484771058 /nfs/dbraw/zinc/77/10/58/484771058.db2.gz ZOORAYGFJQWRJI-ZQJOYCHOSA-N -1 0 363.413 -0.090 20 0 FBADRM O=C([O-])COCCNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000547608082 484770775 /nfs/dbraw/zinc/77/07/75/484770775.db2.gz JYASHSMEINRQMH-UHFFFAOYSA-N -1 0 372.399 -0.462 20 0 FBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCOCC(=O)[O-])c(F)c1 ZINC000547608182 484771274 /nfs/dbraw/zinc/77/12/74/484771274.db2.gz SIPVNLIPTKYKPF-UHFFFAOYSA-N -1 0 370.380 -0.423 20 0 FBADRM O=C([O-])COCCNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000547608204 484771235 /nfs/dbraw/zinc/77/12/35/484771235.db2.gz VCNBIYGYRVUCGC-UHFFFAOYSA-N -1 0 370.383 -0.307 20 0 FBADRM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NCCOCC(=O)[O-])ccc2O1 ZINC000547608601 484771194 /nfs/dbraw/zinc/77/11/94/484771194.db2.gz GIMYZRNUUCBPBM-CYBMUJFWSA-N -1 0 373.383 -0.067 20 0 FBADRM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NCCOCC(=O)[O-])ccc2O1 ZINC000547608602 484771268 /nfs/dbraw/zinc/77/12/68/484771268.db2.gz GIMYZRNUUCBPBM-ZDUSSCGKSA-N -1 0 373.383 -0.067 20 0 FBADRM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NCCOCC(=O)[O-] ZINC000547609485 484770687 /nfs/dbraw/zinc/77/06/87/484770687.db2.gz KJHVAVWRKXUUOA-UHFFFAOYSA-N -1 0 366.779 -0.416 20 0 FBADRM CC(C)(C)[C@H](CC(=O)[O-])NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000547611160 484772453 /nfs/dbraw/zinc/77/24/53/484772453.db2.gz GEHGJMNFXOYNAP-JTQLQIEISA-N -1 0 371.481 -0.713 20 0 FBADRM CC(C)(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000547611161 484772199 /nfs/dbraw/zinc/77/21/99/484772199.db2.gz GEHGJMNFXOYNAP-SNVBAGLBSA-N -1 0 371.481 -0.713 20 0 FBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000547611529 484772300 /nfs/dbraw/zinc/77/23/00/484772300.db2.gz JGJKWXVTZTWXKN-NEPJUHHUSA-N -1 0 365.429 -0.017 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000547611538 484772341 /nfs/dbraw/zinc/77/23/41/484772341.db2.gz JGJKWXVTZTWXKN-NWDGAFQWSA-N -1 0 365.429 -0.017 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000547611540 484772190 /nfs/dbraw/zinc/77/21/90/484772190.db2.gz JGJKWXVTZTWXKN-RYUDHWBXSA-N -1 0 365.429 -0.017 20 0 FBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000547611541 484772573 /nfs/dbraw/zinc/77/25/73/484772573.db2.gz JGJKWXVTZTWXKN-VXGBXAGGSA-N -1 0 365.429 -0.017 20 0 FBADRM O=C([O-])Cn1cc(CNS(=O)(=O)c2cccc3c2OCCO3)nn1 ZINC000547611689 484771982 /nfs/dbraw/zinc/77/19/82/484771982.db2.gz GQUMDAQWNOSWKC-UHFFFAOYSA-N -1 0 354.344 -0.388 20 0 FBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000547612319 484772554 /nfs/dbraw/zinc/77/25/54/484772554.db2.gz KUAZIAILEAWPFK-GHMZBOCLSA-N -1 0 366.417 -0.774 20 0 FBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000547612322 484772507 /nfs/dbraw/zinc/77/25/07/484772507.db2.gz KUAZIAILEAWPFK-MNOVXSKESA-N -1 0 366.417 -0.774 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000547612323 484772278 /nfs/dbraw/zinc/77/22/78/484772278.db2.gz KUAZIAILEAWPFK-QWRGUYRKSA-N -1 0 366.417 -0.774 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000547612325 484771693 /nfs/dbraw/zinc/77/16/93/484771693.db2.gz KUAZIAILEAWPFK-WDEREUQCSA-N -1 0 366.417 -0.774 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)NCCOCC(=O)[O-])s1 ZINC000547612344 484772068 /nfs/dbraw/zinc/77/20/68/484772068.db2.gz LHYSUUXHTOUSJC-UHFFFAOYSA-N -1 0 350.418 -0.194 20 0 FBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)C(=O)[O-] ZINC000547612449 484772587 /nfs/dbraw/zinc/77/25/87/484772587.db2.gz SKMHFMJOPZGHMB-NEPJUHHUSA-N -1 0 361.420 -0.381 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)C(=O)[O-] ZINC000547612450 484771949 /nfs/dbraw/zinc/77/19/49/484771949.db2.gz SKMHFMJOPZGHMB-NWDGAFQWSA-N -1 0 361.420 -0.381 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)C(=O)[O-] ZINC000547612451 484772441 /nfs/dbraw/zinc/77/24/41/484772441.db2.gz SKMHFMJOPZGHMB-RYUDHWBXSA-N -1 0 361.420 -0.381 20 0 FBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)C(=O)[O-] ZINC000547612452 484771969 /nfs/dbraw/zinc/77/19/69/484771969.db2.gz SKMHFMJOPZGHMB-VXGBXAGGSA-N -1 0 361.420 -0.381 20 0 FBADRM O=C([O-])c1ccc(CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)o1 ZINC000547613322 484772228 /nfs/dbraw/zinc/77/22/28/484772228.db2.gz AEUCJJQNTNHAMF-UHFFFAOYSA-N -1 0 365.323 -0.014 20 0 FBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C(=O)[O-] ZINC000547613416 484772591 /nfs/dbraw/zinc/77/25/91/484772591.db2.gz VJFIHEHIJLIGII-CHWSQXEVSA-N -1 0 356.400 -0.135 20 0 FBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C(=O)[O-] ZINC000547613420 484772489 /nfs/dbraw/zinc/77/24/89/484772489.db2.gz VJFIHEHIJLIGII-OLZOCXBDSA-N -1 0 356.400 -0.135 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C(=O)[O-] ZINC000547613422 484772112 /nfs/dbraw/zinc/77/21/12/484772112.db2.gz VJFIHEHIJLIGII-QWHCGFSZSA-N -1 0 356.400 -0.135 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C(=O)[O-] ZINC000547613424 484771759 /nfs/dbraw/zinc/77/17/59/484771759.db2.gz VJFIHEHIJLIGII-STQMWFEESA-N -1 0 356.400 -0.135 20 0 FBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-] ZINC000547613605 484771965 /nfs/dbraw/zinc/77/19/65/484771965.db2.gz CCTWPRMQDGXUJM-CHWSQXEVSA-N -1 0 362.448 -0.079 20 0 FBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-] ZINC000547613606 484772212 /nfs/dbraw/zinc/77/22/12/484772212.db2.gz CCTWPRMQDGXUJM-OLZOCXBDSA-N -1 0 362.448 -0.079 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-] ZINC000547613607 484772563 /nfs/dbraw/zinc/77/25/63/484772563.db2.gz CCTWPRMQDGXUJM-QWHCGFSZSA-N -1 0 362.448 -0.079 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-] ZINC000547613608 484771942 /nfs/dbraw/zinc/77/19/42/484771942.db2.gz CCTWPRMQDGXUJM-STQMWFEESA-N -1 0 362.448 -0.079 20 0 FBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1cccc(-c2nnnn2C)c1)C(=O)[O-] ZINC000547613800 484772183 /nfs/dbraw/zinc/77/21/83/484772183.db2.gz ANCGOHWRMKVLCH-NEPJUHHUSA-N -1 0 369.403 -0.230 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1cccc(-c2nnnn2C)c1)C(=O)[O-] ZINC000547613811 484771713 /nfs/dbraw/zinc/77/17/13/484771713.db2.gz ANCGOHWRMKVLCH-NWDGAFQWSA-N -1 0 369.403 -0.230 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1cccc(-c2nnnn2C)c1)C(=O)[O-] ZINC000547613812 484772527 /nfs/dbraw/zinc/77/25/27/484772527.db2.gz ANCGOHWRMKVLCH-RYUDHWBXSA-N -1 0 369.403 -0.230 20 0 FBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cccc(-c2nnnn2C)c1)C(=O)[O-] ZINC000547613813 484772023 /nfs/dbraw/zinc/77/20/23/484772023.db2.gz ANCGOHWRMKVLCH-VXGBXAGGSA-N -1 0 369.403 -0.230 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@H](C(=O)[O-])C3CCC3)cnc21 ZINC000547614437 484772243 /nfs/dbraw/zinc/77/22/43/484772243.db2.gz MBDIMXDIKGKCKG-JTQLQIEISA-N -1 0 368.371 -0.434 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCC3)cnc21 ZINC000547614454 484772578 /nfs/dbraw/zinc/77/25/78/484772578.db2.gz MBDIMXDIKGKCKG-SNVBAGLBSA-N -1 0 368.371 -0.434 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)ccc1C ZINC000547614904 484772567 /nfs/dbraw/zinc/77/25/67/484772567.db2.gz QQVJJKPXMTVFEJ-UHFFFAOYSA-N -1 0 368.371 -0.064 20 0 FBADRM Cn1cnc2cc(S(=O)(=O)NCc3cn(CC(=O)[O-])nn3)ccc21 ZINC000547614906 484772119 /nfs/dbraw/zinc/77/21/19/484772119.db2.gz QQWIXTAQIBKMOD-UHFFFAOYSA-N -1 0 350.360 -0.272 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)oc1C ZINC000547615211 484771896 /nfs/dbraw/zinc/77/18/96/484771896.db2.gz KMGXWCNNIHPOKR-UHFFFAOYSA-N -1 0 358.332 -0.471 20 0 FBADRM COC(=O)c1ccc(F)cc1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000547615560 484771656 /nfs/dbraw/zinc/77/16/56/484771656.db2.gz MSMWZGBZHCSNBS-UHFFFAOYSA-N -1 0 372.334 -0.233 20 0 FBADRM COc1cc(OC)cc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000547615950 484772435 /nfs/dbraw/zinc/77/24/35/484772435.db2.gz VQHOVYBXROUQCH-UHFFFAOYSA-N -1 0 356.360 -0.142 20 0 FBADRM COC(=O)c1c(F)cccc1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000547616069 484772215 /nfs/dbraw/zinc/77/22/15/484772215.db2.gz XJNSFRJJQSIHKK-UHFFFAOYSA-N -1 0 372.334 -0.233 20 0 FBADRM CCC(=O)C[C@@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000547617174 484771683 /nfs/dbraw/zinc/77/16/83/484771683.db2.gz ISFDDZPKRQWACF-LLVKDONJSA-N -1 0 364.401 -0.565 20 0 FBADRM CCC(=O)C[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000547617181 484772151 /nfs/dbraw/zinc/77/21/51/484772151.db2.gz ISFDDZPKRQWACF-NSHDSACASA-N -1 0 364.401 -0.565 20 0 FBADRM CC(C)[C@H](CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000547617330 484772409 /nfs/dbraw/zinc/77/24/09/484772409.db2.gz MKSOBXWWQZRXGE-JTQLQIEISA-N -1 0 370.387 -0.331 20 0 FBADRM CC(C)[C@@H](CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000547617331 484772170 /nfs/dbraw/zinc/77/21/70/484772170.db2.gz MKSOBXWWQZRXGE-SNVBAGLBSA-N -1 0 370.387 -0.331 20 0 FBADRM CN1CCc2ccc(S(=O)(=O)NCc3cn(CC(=O)[O-])nn3)cc21 ZINC000547617964 484772445 /nfs/dbraw/zinc/77/24/45/484772445.db2.gz QQZMZYBBHIQWOC-UHFFFAOYSA-N -1 0 351.388 -0.167 20 0 FBADRM O=C([O-])Cn1cc(CNS(=O)(=O)c2cnn(CC(F)F)c2)nn1 ZINC000547639043 484772474 /nfs/dbraw/zinc/77/24/74/484772474.db2.gz GGIATPAIPRDXES-UHFFFAOYSA-N -1 0 350.307 -0.697 20 0 FBADRM COc1ccc(CC(=O)N2C[C@@H](O)[C@H]([N@H+](C)CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000547698935 484775149 /nfs/dbraw/zinc/77/51/49/484775149.db2.gz IXNZYCQCIGJZKX-CHWSQXEVSA-N -1 0 367.358 -0.266 20 0 FBADRM COc1ccc(CC(=O)N2C[C@@H](O)[C@@H]([N@H+](C)CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000547698936 484775361 /nfs/dbraw/zinc/77/53/61/484775361.db2.gz IXNZYCQCIGJZKX-QWHCGFSZSA-N -1 0 367.358 -0.266 20 0 FBADRM C[N@H+](CC(=O)[O-])[C@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)C[C@H]1O ZINC000547698957 484775563 /nfs/dbraw/zinc/77/55/63/484775563.db2.gz MCMIZIQGLCDFMU-AEGPPILISA-N -1 0 367.446 -0.244 20 0 FBADRM C[N@H+](CC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)C[C@H]1O ZINC000547698958 484774502 /nfs/dbraw/zinc/77/45/02/484774502.db2.gz MCMIZIQGLCDFMU-BPLDGKMQSA-N -1 0 367.446 -0.244 20 0 FBADRM C[N@H+](CC(=O)[O-])[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)C[C@H]1O ZINC000547698959 484775442 /nfs/dbraw/zinc/77/54/42/484775442.db2.gz MCMIZIQGLCDFMU-NWANDNLSSA-N -1 0 367.446 -0.244 20 0 FBADRM C[N@H+](CC(=O)[O-])[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)C[C@H]1O ZINC000547698960 484774691 /nfs/dbraw/zinc/77/46/91/484774691.db2.gz MCMIZIQGLCDFMU-VHDGCEQUSA-N -1 0 367.446 -0.244 20 0 FBADRM C[C@](CO)(CNS(=O)(=O)c1ccccc1S(C)(=O)=O)CC(=O)[O-] ZINC000547700312 484775193 /nfs/dbraw/zinc/77/51/93/484775193.db2.gz JJASAEQNMXCAHJ-CYBMUJFWSA-N -1 0 365.429 -0.158 20 0 FBADRM C[C@@](CO)(CNS(=O)(=O)c1ccccc1S(C)(=O)=O)CC(=O)[O-] ZINC000547700313 484774807 /nfs/dbraw/zinc/77/48/07/484774807.db2.gz JJASAEQNMXCAHJ-ZDUSSCGKSA-N -1 0 365.429 -0.158 20 0 FBADRM C[C@@](CO)(CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)CC(=O)[O-] ZINC000547700786 484775701 /nfs/dbraw/zinc/77/57/01/484775701.db2.gz NVCOFEOFMMLPDC-AWEZNQCLSA-N -1 0 358.372 -0.231 20 0 FBADRM C[C@](CO)(CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)CC(=O)[O-] ZINC000547700793 484775265 /nfs/dbraw/zinc/77/52/65/484775265.db2.gz NVCOFEOFMMLPDC-CQSZACIVSA-N -1 0 358.372 -0.231 20 0 FBADRM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)Cc2[nH]c(O)nc2O)[n-]1 ZINC000547738584 484776618 /nfs/dbraw/zinc/77/66/18/484776618.db2.gz YRGLNPMJNBWUCW-BDAKNGLRSA-N -1 0 366.378 -0.217 20 0 FBADRM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)Cc2[nH]c(O)nc2O)[n-]1 ZINC000547738585 484776585 /nfs/dbraw/zinc/77/65/85/484776585.db2.gz YRGLNPMJNBWUCW-IUCAKERBSA-N -1 0 366.378 -0.217 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2noc(-c3cccs3)n2)c(=O)n(C)c1=O ZINC000547818595 484488455 /nfs/dbraw/zinc/48/84/55/484488455.db2.gz GVRYBDOYBMFRBK-UHFFFAOYSA-N -1 0 369.384 -0.004 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(OC)n(C)n2)cc1 ZINC000547822912 484202005 /nfs/dbraw/zinc/20/20/05/484202005.db2.gz BGRFNCFBOMKOTM-UHFFFAOYSA-N -1 0 360.417 0.138 20 0 FBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000547866456 484780748 /nfs/dbraw/zinc/78/07/48/484780748.db2.gz RTPSXDFQWDVRER-ZCFIWIBFSA-N -1 0 350.736 -0.112 20 0 FBADRM CCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cc1 ZINC000547866505 484780576 /nfs/dbraw/zinc/78/05/76/484780576.db2.gz UPVZLGYFUVIGTE-LLVKDONJSA-N -1 0 351.402 -0.406 20 0 FBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000547868470 484781222 /nfs/dbraw/zinc/78/12/22/484781222.db2.gz FIHLHRMGHWXQQS-OLZOCXBDSA-N -1 0 362.448 -0.077 20 0 FBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000547868471 484780631 /nfs/dbraw/zinc/78/06/31/484780631.db2.gz FIHLHRMGHWXQQS-STQMWFEESA-N -1 0 362.448 -0.077 20 0 FBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c(F)c1 ZINC000547868946 484780952 /nfs/dbraw/zinc/78/09/52/484780952.db2.gz BCCFIFBFMFWIKQ-VIFPVBQESA-N -1 0 370.380 -0.689 20 0 FBADRM Cc1c(S(=O)(=O)NCC(=O)NCC(=O)[O-])cnn1-c1ccccn1 ZINC000547869195 484781125 /nfs/dbraw/zinc/78/11/25/484781125.db2.gz WCBBSAKVVSLTMG-UHFFFAOYSA-N -1 0 353.360 -0.945 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000547869807 484780367 /nfs/dbraw/zinc/78/03/67/484780367.db2.gz KLMWGCARGLMBIX-SSDOTTSWSA-N -1 0 360.373 -0.373 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000547869808 484780966 /nfs/dbraw/zinc/78/09/66/484780966.db2.gz KLMWGCARGLMBIX-ZETCQYMHSA-N -1 0 360.373 -0.373 20 0 FBADRM CCn1c(=O)oc2cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])ccc21 ZINC000547869980 484780523 /nfs/dbraw/zinc/78/05/23/484780523.db2.gz VWNZDNUKFOKFNR-UHFFFAOYSA-N -1 0 357.344 -0.907 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000547870078 484781066 /nfs/dbraw/zinc/78/10/66/484781066.db2.gz XIRJETUZLWVHEZ-UHFFFAOYSA-N -1 0 363.417 -0.381 20 0 FBADRM O=C([O-])[C@@H](Cc1c[nH]c2ncccc12)NS(=O)(=O)N1CCOCC1 ZINC000547870141 484780788 /nfs/dbraw/zinc/78/07/88/484780788.db2.gz BBDCVLLEUJKTSC-GFCCVEGCSA-N -1 0 354.388 -0.275 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]c2ncccc12)NS(=O)(=O)N1CCOCC1 ZINC000547870142 484780801 /nfs/dbraw/zinc/78/08/01/484780801.db2.gz BBDCVLLEUJKTSC-LBPRGKRZSA-N -1 0 354.388 -0.275 20 0 FBADRM CCOC(=O)c1cc(F)cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000547870517 484781474 /nfs/dbraw/zinc/78/14/74/484781474.db2.gz CLGCGMWOCDTLSP-UHFFFAOYSA-N -1 0 362.335 -0.519 20 0 FBADRM COC(=O)c1cc(F)c(C)c(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000547870611 484781117 /nfs/dbraw/zinc/78/11/17/484781117.db2.gz ZVJGGZHFJOJXOR-UHFFFAOYSA-N -1 0 362.335 -0.600 20 0 FBADRM COC(=O)CCOc1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cc1 ZINC000547870838 484780458 /nfs/dbraw/zinc/78/04/58/484780458.db2.gz NCBNYYVEDXIUQF-LBPRGKRZSA-N -1 0 361.372 -0.258 20 0 FBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1)C(=O)[O-] ZINC000547871221 484781443 /nfs/dbraw/zinc/78/14/43/484781443.db2.gz LDJKXWADNPITQR-RNCFNFMXSA-N -1 0 370.387 -0.494 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1C(N)=O ZINC000547871691 484781295 /nfs/dbraw/zinc/78/12/95/484781295.db2.gz GETCHQMPHYTAOQ-GFCCVEGCSA-N -1 0 353.356 -0.066 20 0 FBADRM CCn1c(=O)oc2cc(S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-])ccc21 ZINC000547872316 484781232 /nfs/dbraw/zinc/78/12/32/484781232.db2.gz CGDDUWUWMHWCFB-VIFPVBQESA-N -1 0 372.355 -0.091 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@H](Cc2ccccn2)C(=O)[O-])cc1C(N)=O ZINC000547872335 484780857 /nfs/dbraw/zinc/78/08/57/484780857.db2.gz CZSLUWMRGJTTTG-JTQLQIEISA-N -1 0 366.399 -0.259 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@@H](Cc2ccccn2)C(=O)[O-])cc1C(N)=O ZINC000547872336 484780776 /nfs/dbraw/zinc/78/07/76/484780776.db2.gz CZSLUWMRGJTTTG-SNVBAGLBSA-N -1 0 366.399 -0.259 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)cn1 ZINC000547872450 484781213 /nfs/dbraw/zinc/78/12/13/484781213.db2.gz FHIMYOFKPJZTDD-CYBMUJFWSA-N -1 0 369.355 -0.134 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547872670 484780708 /nfs/dbraw/zinc/78/07/08/484780708.db2.gz ICBOJBNRQNHKDZ-HTRCEHHLSA-N -1 0 350.374 -0.302 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547872672 484781003 /nfs/dbraw/zinc/78/10/03/484781003.db2.gz ICBOJBNRQNHKDZ-POYBYMJQSA-N -1 0 350.374 -0.302 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547872673 484780826 /nfs/dbraw/zinc/78/08/26/484780826.db2.gz ICBOJBNRQNHKDZ-SVRRBLITSA-N -1 0 350.374 -0.302 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547872674 484780642 /nfs/dbraw/zinc/78/06/42/484780642.db2.gz ICBOJBNRQNHKDZ-XPUUQOCRSA-N -1 0 350.374 -0.302 20 0 FBADRM CCn1c2ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc2oc1=O ZINC000547873032 484780702 /nfs/dbraw/zinc/78/07/02/484780702.db2.gz AJVDVXAVWINTID-QMMMGPOBSA-N -1 0 357.344 -0.779 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]3CCOC3)cc2C1=O ZINC000547873583 484780885 /nfs/dbraw/zinc/78/08/85/484780885.db2.gz OMJLJPFSWCECQR-PELKAZGASA-N -1 0 368.367 -0.320 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]3CCOC3)cc2C1=O ZINC000547873584 484781157 /nfs/dbraw/zinc/78/11/57/484781157.db2.gz OMJLJPFSWCECQR-PRHODGIISA-N -1 0 368.367 -0.320 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]3CCOC3)cc2C1=O ZINC000547873585 484781328 /nfs/dbraw/zinc/78/13/28/484781328.db2.gz OMJLJPFSWCECQR-QPUJVOFHSA-N -1 0 368.367 -0.320 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]3CCOC3)cc2C1=O ZINC000547873586 484780782 /nfs/dbraw/zinc/78/07/82/484780782.db2.gz OMJLJPFSWCECQR-UFBFGSQYSA-N -1 0 368.367 -0.320 20 0 FBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000547873595 484780586 /nfs/dbraw/zinc/78/05/86/484780586.db2.gz OSJBAQQVGRPSEP-GFCCVEGCSA-N -1 0 363.359 -0.640 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000547873596 484781188 /nfs/dbraw/zinc/78/11/88/484781188.db2.gz OSJBAQQVGRPSEP-LBPRGKRZSA-N -1 0 363.359 -0.640 20 0 FBADRM COc1cc(C[C@H](NS(=O)(=O)N2CCOCC2)C(=O)[O-])cc(OC)c1 ZINC000547874146 484781340 /nfs/dbraw/zinc/78/13/40/484781340.db2.gz PKOHAJCCSWTBMY-AWEZNQCLSA-N -1 0 374.415 -0.134 20 0 FBADRM COc1cc(C[C@@H](NS(=O)(=O)N2CCOCC2)C(=O)[O-])cc(OC)c1 ZINC000547874147 484780878 /nfs/dbraw/zinc/78/08/78/484780878.db2.gz PKOHAJCCSWTBMY-CQSZACIVSA-N -1 0 374.415 -0.134 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)[C@H]1CCOC1 ZINC000547874166 484781251 /nfs/dbraw/zinc/78/12/51/484781251.db2.gz QFXCJAQZKHHHAN-GXTWGEPZSA-N -1 0 368.411 -0.080 20 0 FBADRM O=C([O-])[C@@H](NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)[C@H]1CCOC1 ZINC000547874167 484781437 /nfs/dbraw/zinc/78/14/37/484781437.db2.gz QFXCJAQZKHHHAN-JSGCOSHPSA-N -1 0 368.411 -0.080 20 0 FBADRM O=C([O-])[C@@H](NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)[C@@H]1CCOC1 ZINC000547874168 484780484 /nfs/dbraw/zinc/78/04/84/484780484.db2.gz QFXCJAQZKHHHAN-OCCSQVGLSA-N -1 0 368.411 -0.080 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)[C@@H]1CCOC1 ZINC000547874169 484780795 /nfs/dbraw/zinc/78/07/95/484780795.db2.gz QFXCJAQZKHHHAN-TZMCWYRMSA-N -1 0 368.411 -0.080 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000547874731 484780843 /nfs/dbraw/zinc/78/08/43/484780843.db2.gz LPOOMGSSXZBBAY-SECBINFHSA-N -1 0 357.348 -0.576 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000547874732 484781421 /nfs/dbraw/zinc/78/14/21/484781421.db2.gz LPOOMGSSXZBBAY-VIFPVBQESA-N -1 0 357.348 -0.576 20 0 FBADRM O=C([O-])[C@@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)[C@H]1CCOC1 ZINC000547874754 484781458 /nfs/dbraw/zinc/78/14/58/484781458.db2.gz KLIGCQPKLMASDH-AAEUAGOBSA-N -1 0 360.432 -0.204 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)[C@@H]1CCOC1 ZINC000547874755 484781305 /nfs/dbraw/zinc/78/13/05/484781305.db2.gz KLIGCQPKLMASDH-DGCLKSJQSA-N -1 0 360.432 -0.204 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)[C@H]1CCOC1 ZINC000547874756 484781014 /nfs/dbraw/zinc/78/10/14/484781014.db2.gz KLIGCQPKLMASDH-WCQYABFASA-N -1 0 360.432 -0.204 20 0 FBADRM O=C([O-])[C@@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)[C@@H]1CCOC1 ZINC000547874757 484781365 /nfs/dbraw/zinc/78/13/65/484781365.db2.gz KLIGCQPKLMASDH-YPMHNXCESA-N -1 0 360.432 -0.204 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000547874910 484780683 /nfs/dbraw/zinc/78/06/83/484780683.db2.gz PFSBKENPKPOGAX-LURJTMIESA-N -1 0 352.166 -0.549 20 0 FBADRM CC1(C)c2cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])ccc2NC1=O ZINC000547874967 484782482 /nfs/dbraw/zinc/78/24/82/484782482.db2.gz QFLPJYULLFOXGZ-JTQLQIEISA-N -1 0 355.372 -0.477 20 0 FBADRM COCCOc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1C ZINC000547875060 484782232 /nfs/dbraw/zinc/78/22/32/484782232.db2.gz TYYVYYPZZUHGNQ-NSHDSACASA-N -1 0 360.388 -0.373 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])ccc1OC ZINC000547875243 484782450 /nfs/dbraw/zinc/78/24/50/484782450.db2.gz YPLXAOVAAAGOHI-VIFPVBQESA-N -1 0 360.344 -0.911 20 0 FBADRM COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000547875377 484782595 /nfs/dbraw/zinc/78/25/95/484782595.db2.gz FRPCHPQEUXRBNH-JTQLQIEISA-N -1 0 358.372 -0.233 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)C(=O)[O-] ZINC000547875436 484782014 /nfs/dbraw/zinc/78/20/14/484782014.db2.gz ISJFKFUNTCDJBB-VIFPVBQESA-N -1 0 371.327 -0.664 20 0 FBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c(F)c1 ZINC000547875529 484782298 /nfs/dbraw/zinc/78/22/98/484782298.db2.gz MVVVLSPHQMSZFE-VIFPVBQESA-N -1 0 370.380 -0.689 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1C(=O)NCC(F)(F)F ZINC000547875850 484782241 /nfs/dbraw/zinc/78/22/41/484782241.db2.gz GOGHIMXQUIBACS-SSDOTTSWSA-N -1 0 373.309 -0.959 20 0 FBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)C(=O)[O-] ZINC000547876085 484782041 /nfs/dbraw/zinc/78/20/41/484782041.db2.gz JOLUTZHDBXDTCP-LDWIPMOCSA-N -1 0 370.380 -0.691 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)C(=O)[O-] ZINC000547876249 484781918 /nfs/dbraw/zinc/78/19/18/484781918.db2.gz KQJSIBZACQTXEE-VIFPVBQESA-N -1 0 361.376 -0.979 20 0 FBADRM Cc1nn2cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cnc2c1Cl ZINC000547876457 484782217 /nfs/dbraw/zinc/78/22/17/484782217.db2.gz BCTVJJIGMGCWEU-SSDOTTSWSA-N -1 0 361.767 -0.702 20 0 FBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547877025 484782190 /nfs/dbraw/zinc/78/21/90/484782190.db2.gz JETQCPZGZMFZMN-BXKDBHETSA-N -1 0 363.413 -0.142 20 0 FBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547877027 484782461 /nfs/dbraw/zinc/78/24/61/484782461.db2.gz JETQCPZGZMFZMN-CABZTGNLSA-N -1 0 363.413 -0.142 20 0 FBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547877028 484781819 /nfs/dbraw/zinc/78/18/19/484781819.db2.gz JETQCPZGZMFZMN-JOYOIKCWSA-N -1 0 363.413 -0.142 20 0 FBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547877030 484782527 /nfs/dbraw/zinc/78/25/27/484782527.db2.gz JETQCPZGZMFZMN-SKDRFNHKSA-N -1 0 363.413 -0.142 20 0 FBADRM COC(=O)CCOc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1 ZINC000547877186 484782318 /nfs/dbraw/zinc/78/23/18/484782318.db2.gz MKCISKSXUBFKCF-RNCFNFMXSA-N -1 0 361.372 -0.259 20 0 FBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000547877450 484782290 /nfs/dbraw/zinc/78/22/90/484782290.db2.gz XCEWAIPDJVWANV-GFCCVEGCSA-N -1 0 354.384 -0.364 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)CC1 ZINC000547877519 484782095 /nfs/dbraw/zinc/78/20/95/484782095.db2.gz PNRXVKKRIYNMCA-NEPJUHHUSA-N -1 0 364.420 -0.414 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)CC1 ZINC000547877529 484782154 /nfs/dbraw/zinc/78/21/54/484782154.db2.gz PNRXVKKRIYNMCA-NWDGAFQWSA-N -1 0 364.420 -0.414 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)CC1 ZINC000547877531 484782113 /nfs/dbraw/zinc/78/21/13/484782113.db2.gz PNRXVKKRIYNMCA-RYUDHWBXSA-N -1 0 364.420 -0.414 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)CC1 ZINC000547877532 484782364 /nfs/dbraw/zinc/78/23/64/484782364.db2.gz PNRXVKKRIYNMCA-VXGBXAGGSA-N -1 0 364.420 -0.414 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)NCCc1nc(CC(=O)[O-])cs1 ZINC000547877547 484782312 /nfs/dbraw/zinc/78/23/12/484782312.db2.gz XYVSBVMMJWIPIL-UHFFFAOYSA-N -1 0 365.433 -0.358 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)OC)C(=O)[O-] ZINC000547877832 484782060 /nfs/dbraw/zinc/78/20/60/484782060.db2.gz UDGSGJFVLDANIT-GUBZILKMSA-N -1 0 351.377 -0.346 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)OC)C(=O)[O-] ZINC000547877833 484781906 /nfs/dbraw/zinc/78/19/06/484781906.db2.gz UDGSGJFVLDANIT-KXUCPTDWSA-N -1 0 351.377 -0.346 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)OC)C(=O)[O-] ZINC000547877834 484782078 /nfs/dbraw/zinc/78/20/78/484782078.db2.gz UDGSGJFVLDANIT-LPEHRKFASA-N -1 0 351.377 -0.346 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)OC)C(=O)[O-] ZINC000547877835 484781963 /nfs/dbraw/zinc/78/19/63/484781963.db2.gz UDGSGJFVLDANIT-UTLUCORTSA-N -1 0 351.377 -0.346 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)C1 ZINC000547877841 484782543 /nfs/dbraw/zinc/78/25/43/484782543.db2.gz UJOYGHMSJPXWGX-GRYCIOLGSA-N -1 0 364.420 -0.414 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)C1 ZINC000547877842 484782136 /nfs/dbraw/zinc/78/21/36/484782136.db2.gz UJOYGHMSJPXWGX-IJLUTSLNSA-N -1 0 364.420 -0.414 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)C1 ZINC000547877844 484782267 /nfs/dbraw/zinc/78/22/67/484782267.db2.gz UJOYGHMSJPXWGX-UTUOFQBUSA-N -1 0 364.420 -0.414 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)C1 ZINC000547877846 484782211 /nfs/dbraw/zinc/78/22/11/484782211.db2.gz UJOYGHMSJPXWGX-WOPDTQHZSA-N -1 0 364.420 -0.414 20 0 FBADRM Cn1cc([C@@H](NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C(=O)[O-])cn1 ZINC000547878162 484782509 /nfs/dbraw/zinc/78/25/09/484782509.db2.gz VRGUEDYWQXWCLI-LLVKDONJSA-N -1 0 374.400 -0.828 20 0 FBADRM Cn1cc([C@H](NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C(=O)[O-])cn1 ZINC000547878163 484782327 /nfs/dbraw/zinc/78/23/27/484782327.db2.gz VRGUEDYWQXWCLI-NSHDSACASA-N -1 0 374.400 -0.828 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000547878199 484782028 /nfs/dbraw/zinc/78/20/28/484782028.db2.gz XHDMLRUZZOMJKP-GFCCVEGCSA-N -1 0 360.388 -0.283 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](Cn2cc(C)cn2)C(=O)[O-])cn1 ZINC000547878544 484782473 /nfs/dbraw/zinc/78/24/73/484782473.db2.gz QVTRKAFRRCHNML-GFCCVEGCSA-N -1 0 368.371 -0.195 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](Cn2cc(C)cn2)C(=O)[O-])cn1 ZINC000547878545 484782538 /nfs/dbraw/zinc/78/25/38/484782538.db2.gz QVTRKAFRRCHNML-LBPRGKRZSA-N -1 0 368.371 -0.195 20 0 FBADRM Cc1cc(C)n(C[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-])n1 ZINC000547878882 484781991 /nfs/dbraw/zinc/78/19/91/484781991.db2.gz GWTCOQWEQOGQOS-LLVKDONJSA-N -1 0 367.449 -0.693 20 0 FBADRM Cc1cc(C)n(C[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-])n1 ZINC000547878883 484782002 /nfs/dbraw/zinc/78/20/02/484782002.db2.gz GWTCOQWEQOGQOS-NSHDSACASA-N -1 0 367.449 -0.693 20 0 FBADRM Cc1cc(C)n(C[C@@H](NS(=O)(=O)c2cc(C(N)=O)n(C)c2)C(=O)[O-])n1 ZINC000547878886 484781937 /nfs/dbraw/zinc/78/19/37/484781937.db2.gz GYUFXSLJSJIOAK-LLVKDONJSA-N -1 0 369.403 -0.631 20 0 FBADRM Cc1cc(C)n(C[C@H](NS(=O)(=O)c2cc(C(N)=O)n(C)c2)C(=O)[O-])n1 ZINC000547878887 484782271 /nfs/dbraw/zinc/78/22/71/484782271.db2.gz GYUFXSLJSJIOAK-NSHDSACASA-N -1 0 369.403 -0.631 20 0 FBADRM NC(=O)C[C@@H](NS(=O)(=O)c1cnn(Cc2ccccc2)c1)C(=O)[O-] ZINC000547879007 484782431 /nfs/dbraw/zinc/78/24/31/484782431.db2.gz JUKPREPIWRCXCO-GFCCVEGCSA-N -1 0 352.372 -0.462 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000547879015 484782355 /nfs/dbraw/zinc/78/23/55/484782355.db2.gz KBDWZGNLOJJGIG-LLVKDONJSA-N -1 0 362.408 -0.718 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000547879020 484782585 /nfs/dbraw/zinc/78/25/85/484782585.db2.gz KBDWZGNLOJJGIG-NSHDSACASA-N -1 0 362.408 -0.718 20 0 FBADRM COC(=O)c1c(OC)ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1OC ZINC000547879148 484782103 /nfs/dbraw/zinc/78/21/03/484782103.db2.gz GPHNIDQXAVCMOV-ZETCQYMHSA-N -1 0 363.344 -0.786 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C)C(=O)[O-] ZINC000547879290 484782478 /nfs/dbraw/zinc/78/24/78/484782478.db2.gz RISRXBYNQJGYHI-JTQLQIEISA-N -1 0 356.360 -0.429 20 0 FBADRM COC(=O)c1cc(F)ccc1S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000547879547 484782081 /nfs/dbraw/zinc/78/20/81/484782081.db2.gz SHPIQPBYSCJDPO-SECBINFHSA-N -1 0 362.335 -0.391 20 0 FBADRM CCOC(=O)c1cc(F)cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000547879654 484782145 /nfs/dbraw/zinc/78/21/45/484782145.db2.gz UJOWAPKLRCQDCM-JTQLQIEISA-N -1 0 362.335 -0.391 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1C(=O)N(C)C ZINC000547879914 484782282 /nfs/dbraw/zinc/78/22/82/484782282.db2.gz KLMRREWJEWGUET-PELKAZGASA-N -1 0 360.388 -0.491 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)[C@@H]1CCOC1 ZINC000547880134 484782564 /nfs/dbraw/zinc/78/25/64/484782564.db2.gz WAWLCMYXXGQCJY-BXKDBHETSA-N -1 0 353.360 -0.570 20 0 FBADRM O=C([O-])[C@@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)[C@H]1CCOC1 ZINC000547880135 484782124 /nfs/dbraw/zinc/78/21/24/484782124.db2.gz WAWLCMYXXGQCJY-CABZTGNLSA-N -1 0 353.360 -0.570 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)[C@H]1CCOC1 ZINC000547880136 484782551 /nfs/dbraw/zinc/78/25/51/484782551.db2.gz WAWLCMYXXGQCJY-JOYOIKCWSA-N -1 0 353.360 -0.570 20 0 FBADRM O=C([O-])[C@@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)[C@@H]1CCOC1 ZINC000547880137 484782438 /nfs/dbraw/zinc/78/24/38/484782438.db2.gz WAWLCMYXXGQCJY-SKDRFNHKSA-N -1 0 353.360 -0.570 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000547880500 484781802 /nfs/dbraw/zinc/78/18/02/484781802.db2.gz NHKJPIFEYQRKFX-SRVKXCTJSA-N -1 0 364.420 -0.272 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000547880501 484781806 /nfs/dbraw/zinc/78/18/06/484781806.db2.gz NHKJPIFEYQRKFX-TUAOUCFPSA-N -1 0 364.420 -0.272 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000547880502 484781857 /nfs/dbraw/zinc/78/18/57/484781857.db2.gz NHKJPIFEYQRKFX-UTUOFQBUSA-N -1 0 364.420 -0.272 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000547880503 484782069 /nfs/dbraw/zinc/78/20/69/484782069.db2.gz NHKJPIFEYQRKFX-WOPDTQHZSA-N -1 0 364.420 -0.272 20 0 FBADRM CC1(C)c2cc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])ccc2NC1=O ZINC000547880928 484781899 /nfs/dbraw/zinc/78/18/99/484781899.db2.gz DLYCMTSCHWLSDQ-LLVKDONJSA-N -1 0 369.399 -0.087 20 0 FBADRM Cc1cnn(C[C@@H](NS(=O)(=O)c2ccc(C(N)=O)cc2)C(=O)[O-])c1 ZINC000547881025 484782334 /nfs/dbraw/zinc/78/23/34/484782334.db2.gz DFCRCPGVELFZBI-GFCCVEGCSA-N -1 0 352.372 -0.278 20 0 FBADRM Cc1cnn(C[C@H](NS(=O)(=O)c2ccc(C(N)=O)cc2)C(=O)[O-])c1 ZINC000547881026 484781836 /nfs/dbraw/zinc/78/18/36/484781836.db2.gz DFCRCPGVELFZBI-LBPRGKRZSA-N -1 0 352.372 -0.278 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC000547881085 484782444 /nfs/dbraw/zinc/78/24/44/484782444.db2.gz GDAUBWLRUYUGNA-GZMMTYOYSA-N -1 0 364.401 -0.898 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000547881093 484781943 /nfs/dbraw/zinc/78/19/43/484781943.db2.gz GDAUBWLRUYUGNA-KCJUWKMLSA-N -1 0 364.401 -0.898 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC000547881095 484782576 /nfs/dbraw/zinc/78/25/76/484782576.db2.gz GDAUBWLRUYUGNA-KWQFWETISA-N -1 0 364.401 -0.898 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000547881096 484782207 /nfs/dbraw/zinc/78/22/07/484782207.db2.gz GDAUBWLRUYUGNA-LDYMZIIASA-N -1 0 364.401 -0.898 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)Cc1ccccc1C(=O)OC)C(=O)[O-] ZINC000547881097 484782022 /nfs/dbraw/zinc/78/20/22/484782022.db2.gz CIPWCWQUFFEHLT-NSHDSACASA-N -1 0 359.356 -0.091 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cs1 ZINC000547881404 484782417 /nfs/dbraw/zinc/78/24/17/484782417.db2.gz KCZAPHLTAKTJHS-SSDOTTSWSA-N -1 0 350.374 -0.468 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])ccc1OC ZINC000547881467 484782343 /nfs/dbraw/zinc/78/23/43/484782343.db2.gz GPIKFLSQYPDMMM-SNVBAGLBSA-N -1 0 374.371 -0.521 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-] ZINC000547882225 484782600 /nfs/dbraw/zinc/78/26/00/484782600.db2.gz UIRXNEWGRQRPJT-LURJTMIESA-N -1 0 366.373 -0.386 20 0 FBADRM COCC[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000547882436 484782392 /nfs/dbraw/zinc/78/23/92/484782392.db2.gz YSYGLSOBDOBBBW-JTQLQIEISA-N -1 0 369.392 -0.003 20 0 FBADRM COCC[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000547882447 484781885 /nfs/dbraw/zinc/78/18/85/484781885.db2.gz YSYGLSOBDOBBBW-SNVBAGLBSA-N -1 0 369.392 -0.003 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1cccc(-c2nnnn2C)c1)C(=O)[O-] ZINC000547883143 484781970 /nfs/dbraw/zinc/78/19/70/484781970.db2.gz XVOCEDMNZWFZGY-JTQLQIEISA-N -1 0 369.359 -0.828 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@H](Cn2cc(C)cn2)C(=O)[O-])CC1 ZINC000547883155 484782035 /nfs/dbraw/zinc/78/20/35/484782035.db2.gz YTFJYPDTWURBMS-GFCCVEGCSA-N -1 0 374.419 -0.636 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@@H](Cn2cc(C)cn2)C(=O)[O-])CC1 ZINC000547883156 484781979 /nfs/dbraw/zinc/78/19/79/484781979.db2.gz YTFJYPDTWURBMS-LBPRGKRZSA-N -1 0 374.419 -0.636 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000547884118 484782589 /nfs/dbraw/zinc/78/25/89/484782589.db2.gz CGNZCHUVOCAKSJ-LLVKDONJSA-N -1 0 366.417 -0.685 20 0 FBADRM COC[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000547884119 484781848 /nfs/dbraw/zinc/78/18/48/484781848.db2.gz CGNZCHUVOCAKSJ-NSHDSACASA-N -1 0 366.417 -0.685 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1ccc(OCc2ncnn2C)cc1)C(=O)[O-] ZINC000547884668 484782177 /nfs/dbraw/zinc/78/21/77/484782177.db2.gz KYTOLMIUYXTGDL-GFCCVEGCSA-N -1 0 370.387 -0.228 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1ccc(OCc2ncnn2C)cc1)C(=O)[O-] ZINC000547884669 484781861 /nfs/dbraw/zinc/78/18/61/484781861.db2.gz KYTOLMIUYXTGDL-LBPRGKRZSA-N -1 0 370.387 -0.228 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000547884948 484782424 /nfs/dbraw/zinc/78/24/24/484782424.db2.gz BFLWWKAPAHURTR-JTQLQIEISA-N -1 0 362.404 -0.818 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000547884949 484782409 /nfs/dbraw/zinc/78/24/09/484782409.db2.gz BFLWWKAPAHURTR-SNVBAGLBSA-N -1 0 362.404 -0.818 20 0 FBADRM COCCn1cc(S(=O)(=O)NC[C@@H](Cc2cnn(C)c2)C(=O)[O-])cn1 ZINC000547885264 484781793 /nfs/dbraw/zinc/78/17/93/484781793.db2.gz FJISWBISOJMWGL-GFCCVEGCSA-N -1 0 371.419 -0.515 20 0 FBADRM COCCn1cc(S(=O)(=O)NC[C@H](Cc2cnn(C)c2)C(=O)[O-])cn1 ZINC000547885265 484782182 /nfs/dbraw/zinc/78/21/82/484782182.db2.gz FJISWBISOJMWGL-LBPRGKRZSA-N -1 0 371.419 -0.515 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000547885364 484782163 /nfs/dbraw/zinc/78/21/63/484782163.db2.gz GRXCGVZVBZXNCV-JTQLQIEISA-N -1 0 370.380 -0.425 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000547885366 484782518 /nfs/dbraw/zinc/78/25/18/484782518.db2.gz GRXCGVZVBZXNCV-SNVBAGLBSA-N -1 0 370.380 -0.425 20 0 FBADRM CN1CCc2ccc(S(=O)(=O)NCCN3C[C@H](C(=O)[O-])CC3=O)cc21 ZINC000547886216 484781995 /nfs/dbraw/zinc/78/19/95/484781995.db2.gz ROPOTJWLJOWJEG-GFCCVEGCSA-N -1 0 367.427 -0.110 20 0 FBADRM CN1CCc2ccc(S(=O)(=O)NCCN3C[C@@H](C(=O)[O-])CC3=O)cc21 ZINC000547886217 484781873 /nfs/dbraw/zinc/78/18/73/484781873.db2.gz ROPOTJWLJOWJEG-LBPRGKRZSA-N -1 0 367.427 -0.110 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-] ZINC000547887426 484781771 /nfs/dbraw/zinc/78/17/71/484781771.db2.gz RTHGWPOZPNHRDT-LLVKDONJSA-N -1 0 366.417 -0.685 20 0 FBADRM COC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-] ZINC000547887427 484783028 /nfs/dbraw/zinc/78/30/28/484783028.db2.gz RTHGWPOZPNHRDT-NSHDSACASA-N -1 0 366.417 -0.685 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)N(CC(=O)[O-])C2CCCC2)CC1 ZINC000547888052 484783517 /nfs/dbraw/zinc/78/35/17/484783517.db2.gz BRDATPNZOICPNZ-UHFFFAOYSA-N -1 0 369.465 -0.862 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N[C@H](Cn2cc(C)cn2)C(=O)[O-])cc1 ZINC000547888293 484782954 /nfs/dbraw/zinc/78/29/54/484782954.db2.gz GBQCKCNOIVDHEB-CYBMUJFWSA-N -1 0 366.399 -0.017 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N[C@@H](Cn2cc(C)cn2)C(=O)[O-])cc1 ZINC000547888295 484783702 /nfs/dbraw/zinc/78/37/02/484783702.db2.gz GBQCKCNOIVDHEB-ZDUSSCGKSA-N -1 0 366.399 -0.017 20 0 FBADRM O=C([O-])c1cccc(CNC(=O)NCCNS(=O)(=O)NC2CC2)c1 ZINC000547888311 484783692 /nfs/dbraw/zinc/78/36/92/484783692.db2.gz HIMDZNYAOMCHHJ-UHFFFAOYSA-N -1 0 356.404 -0.230 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000547888705 484783377 /nfs/dbraw/zinc/78/33/77/484783377.db2.gz KSKIZCSMDYPPAW-LLVKDONJSA-N -1 0 366.417 -0.685 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000547888708 484783129 /nfs/dbraw/zinc/78/31/29/484783129.db2.gz KSKIZCSMDYPPAW-NSHDSACASA-N -1 0 366.417 -0.685 20 0 FBADRM COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000547888988 484783500 /nfs/dbraw/zinc/78/35/00/484783500.db2.gz NZUHMKNPHDMOTM-JTQLQIEISA-N -1 0 358.372 -0.233 20 0 FBADRM CCOC(=O)CCCS(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000547890570 484783386 /nfs/dbraw/zinc/78/33/86/484783386.db2.gz GQJJJNYBIASRBN-JTQLQIEISA-N -1 0 350.393 -0.818 20 0 FBADRM CCOC(=O)CCCS(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000547890571 484783797 /nfs/dbraw/zinc/78/37/97/484783797.db2.gz GQJJJNYBIASRBN-SNVBAGLBSA-N -1 0 350.393 -0.818 20 0 FBADRM C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000547892167 484783083 /nfs/dbraw/zinc/78/30/83/484783083.db2.gz PITJBAKRXNCUND-GMSGAONNSA-N -1 0 366.442 -0.129 20 0 FBADRM C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000547892168 484783753 /nfs/dbraw/zinc/78/37/53/484783753.db2.gz PITJBAKRXNCUND-OIBJUYFYSA-N -1 0 366.442 -0.129 20 0 FBADRM C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000547892169 484783342 /nfs/dbraw/zinc/78/33/42/484783342.db2.gz PITJBAKRXNCUND-XCBNKYQSSA-N -1 0 366.442 -0.129 20 0 FBADRM C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000547892170 484783147 /nfs/dbraw/zinc/78/31/47/484783147.db2.gz PITJBAKRXNCUND-XVKPBYJWSA-N -1 0 366.442 -0.129 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](CC1CCCC1)C(=O)[O-] ZINC000547892437 484783073 /nfs/dbraw/zinc/78/30/73/484783073.db2.gz BOHBZIDWKKASGP-LLVKDONJSA-N -1 0 356.466 -0.121 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](CC1CCCC1)C(=O)[O-] ZINC000547892438 484783819 /nfs/dbraw/zinc/78/38/19/484783819.db2.gz BOHBZIDWKKASGP-NSHDSACASA-N -1 0 356.466 -0.121 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CC3)cnc21 ZINC000547892687 484783668 /nfs/dbraw/zinc/78/36/68/484783668.db2.gz HZNLJTKTXXSEPS-SECBINFHSA-N -1 0 354.344 -0.824 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@H](C(=O)[O-])C3CC3)cnc21 ZINC000547892688 484783191 /nfs/dbraw/zinc/78/31/91/484783191.db2.gz HZNLJTKTXXSEPS-VIFPVBQESA-N -1 0 354.344 -0.824 20 0 FBADRM Cc1cnc(N)c(S(=O)(=O)NC[C@@H](Cc2cnn(C)c2)C(=O)[O-])c1 ZINC000547893168 484783801 /nfs/dbraw/zinc/78/38/01/484783801.db2.gz ZWTXPRASNXLMFL-LLVKDONJSA-N -1 0 353.404 -0.072 20 0 FBADRM Cc1cnc(N)c(S(=O)(=O)NC[C@H](Cc2cnn(C)c2)C(=O)[O-])c1 ZINC000547893169 484783461 /nfs/dbraw/zinc/78/34/61/484783461.db2.gz ZWTXPRASNXLMFL-NSHDSACASA-N -1 0 353.404 -0.072 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@H](Cc2ccco2)C(=O)[O-])CC1 ZINC000547894140 484783418 /nfs/dbraw/zinc/78/34/18/484783418.db2.gz JTGBNJAMHKZOMP-GFCCVEGCSA-N -1 0 360.388 -0.005 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@@H](Cc2ccco2)C(=O)[O-])CC1 ZINC000547894141 484782946 /nfs/dbraw/zinc/78/29/46/484782946.db2.gz JTGBNJAMHKZOMP-LBPRGKRZSA-N -1 0 360.388 -0.005 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c(=O)n(C)c1=O ZINC000547894438 484783406 /nfs/dbraw/zinc/78/34/06/484783406.db2.gz WEJQOZUBGXVJCB-NSHDSACASA-N -1 0 371.346 -0.673 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@@H](Cc2cccnc2)C(=O)[O-])cc1C(N)=O ZINC000547894474 484783605 /nfs/dbraw/zinc/78/36/05/484783605.db2.gz YEIYNNNUKCWRLZ-LLVKDONJSA-N -1 0 366.399 -0.259 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@H](Cc2cccnc2)C(=O)[O-])cc1C(N)=O ZINC000547894475 484783164 /nfs/dbraw/zinc/78/31/64/484783164.db2.gz YEIYNNNUKCWRLZ-NSHDSACASA-N -1 0 366.399 -0.259 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](Cn2cc(C)cn2)C(=O)[O-])cn1C ZINC000547896041 484783662 /nfs/dbraw/zinc/78/36/62/484783662.db2.gz KGPZBWQRPUTHIB-LLVKDONJSA-N -1 0 370.387 -0.252 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](Cn2cc(C)cn2)C(=O)[O-])cn1C ZINC000547896042 484783653 /nfs/dbraw/zinc/78/36/53/484783653.db2.gz KGPZBWQRPUTHIB-NSHDSACASA-N -1 0 370.387 -0.252 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)N2CCN(S(=O)(=O)NC3CC3)CC2)C1 ZINC000547897205 484783264 /nfs/dbraw/zinc/78/32/64/484783264.db2.gz UTVWHUWGAHXUNU-LLVKDONJSA-N -1 0 360.436 -0.483 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)N2CCN(S(=O)(=O)NC3CC3)CC2)C1 ZINC000547897206 484783575 /nfs/dbraw/zinc/78/35/75/484783575.db2.gz UTVWHUWGAHXUNU-NSHDSACASA-N -1 0 360.436 -0.483 20 0 FBADRM Cn1cc(C[C@@H](NS(=O)(=O)c2cccc(C(N)=O)c2)C(=O)[O-])cn1 ZINC000547897435 484783589 /nfs/dbraw/zinc/78/35/89/484783589.db2.gz RRRBFRCYUMJBGW-GFCCVEGCSA-N -1 0 352.372 -0.507 20 0 FBADRM Cn1cc(C[C@H](NS(=O)(=O)c2cccc(C(N)=O)c2)C(=O)[O-])cn1 ZINC000547897436 484782996 /nfs/dbraw/zinc/78/29/96/484782996.db2.gz RRRBFRCYUMJBGW-LBPRGKRZSA-N -1 0 352.372 -0.507 20 0 FBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC(C(=O)[O-])C2)c(F)c1 ZINC000547897648 484783030 /nfs/dbraw/zinc/78/30/30/484783030.db2.gz WTLGUNMMSJMBHO-UHFFFAOYSA-N -1 0 352.365 -0.098 20 0 FBADRM CC(C)(C)C[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000547898602 484783280 /nfs/dbraw/zinc/78/32/80/484783280.db2.gz PYMJREGGCZDDSA-JTQLQIEISA-N -1 0 371.481 -0.713 20 0 FBADRM CC(C)(C)C[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000547898603 484783582 /nfs/dbraw/zinc/78/35/82/484783582.db2.gz PYMJREGGCZDDSA-SNVBAGLBSA-N -1 0 371.481 -0.713 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C1CC1 ZINC000547898733 484783758 /nfs/dbraw/zinc/78/37/58/484783758.db2.gz JPCRBPLAPZRTCO-GFCCVEGCSA-N -1 0 362.429 -0.253 20 0 FBADRM O=C([O-])[C@@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C1CC1 ZINC000547898734 484783527 /nfs/dbraw/zinc/78/35/27/484783527.db2.gz JPCRBPLAPZRTCO-LBPRGKRZSA-N -1 0 362.429 -0.253 20 0 FBADRM Cn1cc(C[C@H](CNS(=O)(=O)c2cccc(C(N)=O)c2)C(=O)[O-])cn1 ZINC000547898793 484783055 /nfs/dbraw/zinc/78/30/55/484783055.db2.gz LTDHJZJLDIPTTR-GFCCVEGCSA-N -1 0 366.399 -0.259 20 0 FBADRM Cn1cc(C[C@@H](CNS(=O)(=O)c2cccc(C(N)=O)c2)C(=O)[O-])cn1 ZINC000547898794 484783090 /nfs/dbraw/zinc/78/30/90/484783090.db2.gz LTDHJZJLDIPTTR-LBPRGKRZSA-N -1 0 366.399 -0.259 20 0 FBADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000547899300 484783001 /nfs/dbraw/zinc/78/30/01/484783001.db2.gz ZNNNPWIMRXNRCV-CMPLNLGQSA-N -1 0 369.465 -0.959 20 0 FBADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000547899303 484783455 /nfs/dbraw/zinc/78/34/55/484783455.db2.gz ZNNNPWIMRXNRCV-JQWIXIFHSA-N -1 0 369.465 -0.959 20 0 FBADRM C[C@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000547899304 484782964 /nfs/dbraw/zinc/78/29/64/484782964.db2.gz ZNNNPWIMRXNRCV-PWSUYJOCSA-N -1 0 369.465 -0.959 20 0 FBADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000547899305 484783174 /nfs/dbraw/zinc/78/31/74/484783174.db2.gz ZNNNPWIMRXNRCV-ZYHUDNBSSA-N -1 0 369.465 -0.959 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)o1 ZINC000547900575 484783207 /nfs/dbraw/zinc/78/32/07/484783207.db2.gz WPGVMGSFQWJYCN-SECBINFHSA-N -1 0 374.371 -0.332 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)o1 ZINC000547900581 484783773 /nfs/dbraw/zinc/78/37/73/484783773.db2.gz WPGVMGSFQWJYCN-VIFPVBQESA-N -1 0 374.371 -0.332 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])cn1 ZINC000547902318 484783487 /nfs/dbraw/zinc/78/34/87/484783487.db2.gz YFWYMIWDLGKUEM-GFCCVEGCSA-N -1 0 368.371 -0.424 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])cn1 ZINC000547902319 484783687 /nfs/dbraw/zinc/78/36/87/484783687.db2.gz YFWYMIWDLGKUEM-LBPRGKRZSA-N -1 0 368.371 -0.424 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])cc1 ZINC000547902363 484782930 /nfs/dbraw/zinc/78/29/30/484782930.db2.gz ATBHBGZGJSRULF-VIFPVBQESA-N -1 0 352.415 -0.518 20 0 FBADRM CC(C)CN(CCC(=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000547903006 484783123 /nfs/dbraw/zinc/78/31/23/484783123.db2.gz OEQFHQSWSKSHDJ-UHFFFAOYSA-N -1 0 371.481 -0.759 20 0 FBADRM COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1C(=O)N(C)C ZINC000547903049 484783507 /nfs/dbraw/zinc/78/35/07/484783507.db2.gz PBDULNPNYWHGER-SKDRFNHKSA-N -1 0 372.399 -0.395 20 0 FBADRM COC(=O)CCOc1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1 ZINC000547903589 484783744 /nfs/dbraw/zinc/78/37/44/484783744.db2.gz BMUZURJPQJHULS-UHFFFAOYSA-N -1 0 361.372 -0.304 20 0 FBADRM CCc1noc2ncc(S(=O)(=O)NCc3cn(CC(=O)[O-])nn3)cc12 ZINC000547903706 484783222 /nfs/dbraw/zinc/78/32/22/484783222.db2.gz HVKOZOREOLGBNQ-UHFFFAOYSA-N -1 0 366.359 -0.060 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cn1C ZINC000547903759 484783095 /nfs/dbraw/zinc/78/30/95/484783095.db2.gz JNZIPYBGLCTIIO-UHFFFAOYSA-N -1 0 371.375 -0.644 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)N1CCC[C@@H](C(=O)OCC)C1)C(=O)[O-] ZINC000547904136 484783294 /nfs/dbraw/zinc/78/32/94/484783294.db2.gz SXHMIEAIRUESOL-GRYCIOLGSA-N -1 0 366.436 -0.290 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)N1CCC[C@H](C(=O)OCC)C1)C(=O)[O-] ZINC000547904137 484783716 /nfs/dbraw/zinc/78/37/16/484783716.db2.gz SXHMIEAIRUESOL-SDDRHHMPSA-N -1 0 366.436 -0.290 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)N1CCC[C@H](C(=O)OCC)C1)C(=O)[O-] ZINC000547904138 484783708 /nfs/dbraw/zinc/78/37/08/484783708.db2.gz SXHMIEAIRUESOL-SRVKXCTJSA-N -1 0 366.436 -0.290 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)N1CCC[C@@H](C(=O)OCC)C1)C(=O)[O-] ZINC000547904139 484783622 /nfs/dbraw/zinc/78/36/22/484783622.db2.gz SXHMIEAIRUESOL-WOPDTQHZSA-N -1 0 366.436 -0.290 20 0 FBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000547904785 484783541 /nfs/dbraw/zinc/78/35/41/484783541.db2.gz WEAKWBMVTIOTBW-GHMZBOCLSA-N -1 0 360.392 -0.486 20 0 FBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000547904787 484783397 /nfs/dbraw/zinc/78/33/97/484783397.db2.gz WEAKWBMVTIOTBW-MNOVXSKESA-N -1 0 360.392 -0.486 20 0 FBADRM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000547904788 484783233 /nfs/dbraw/zinc/78/32/33/484783233.db2.gz WEAKWBMVTIOTBW-QWRGUYRKSA-N -1 0 360.392 -0.486 20 0 FBADRM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000547904790 484783062 /nfs/dbraw/zinc/78/30/62/484783062.db2.gz WEAKWBMVTIOTBW-WDEREUQCSA-N -1 0 360.392 -0.486 20 0 FBADRM O=C([O-])c1ccnc(N2CCC(NS(=O)(=O)N3CCOCC3)CC2)c1 ZINC000547905783 484783247 /nfs/dbraw/zinc/78/32/47/484783247.db2.gz FQXVEILFHAXWMV-UHFFFAOYSA-N -1 0 370.431 -0.085 20 0 FBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000547905966 484782939 /nfs/dbraw/zinc/78/29/39/484782939.db2.gz BKEVMHCGRUPNFQ-LLVKDONJSA-N -1 0 355.376 -0.403 20 0 FBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000547905973 484783431 /nfs/dbraw/zinc/78/34/31/484783431.db2.gz BKEVMHCGRUPNFQ-NSHDSACASA-N -1 0 355.376 -0.403 20 0 FBADRM COCCN(CCC(=O)[O-])S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000547907303 484783347 /nfs/dbraw/zinc/78/33/47/484783347.db2.gz JDXYBQHDRJUMKX-UHFFFAOYSA-N -1 0 366.417 -0.554 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000547907723 484783439 /nfs/dbraw/zinc/78/34/39/484783439.db2.gz CRWGWIRSDCLOMQ-UHFFFAOYSA-N -1 0 352.390 -0.944 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])ccc1OC ZINC000547909048 484783627 /nfs/dbraw/zinc/78/36/27/484783627.db2.gz CHUWMYOYBASICP-KCJUWKMLSA-N -1 0 359.356 -0.310 20 0 FBADRM COC(=O)CCOc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000547909326 484783141 /nfs/dbraw/zinc/78/31/41/484783141.db2.gz HEKQWGOHCFEPDJ-MFKMUULPSA-N -1 0 373.383 -0.163 20 0 FBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000547910021 484783336 /nfs/dbraw/zinc/78/33/36/484783336.db2.gz YGYDBZGMOGIKFN-JTQLQIEISA-N -1 0 365.429 -0.064 20 0 FBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000547910022 484783426 /nfs/dbraw/zinc/78/34/26/484783426.db2.gz YGYDBZGMOGIKFN-SNVBAGLBSA-N -1 0 365.429 -0.064 20 0 FBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000547912548 484783723 /nfs/dbraw/zinc/78/37/23/484783723.db2.gz QANWMYQXTOYARW-LLVKDONJSA-N -1 0 362.448 -0.125 20 0 FBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000547912549 484783273 /nfs/dbraw/zinc/78/32/73/484783273.db2.gz QANWMYQXTOYARW-NSHDSACASA-N -1 0 362.448 -0.125 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](CC(=O)[O-])C1CCOCC1 ZINC000547912662 484783786 /nfs/dbraw/zinc/78/37/86/484783786.db2.gz GVXLDXAFVVOMIG-LLVKDONJSA-N -1 0 372.465 -0.885 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](CC(=O)[O-])C1CCOCC1 ZINC000547912663 484783105 /nfs/dbraw/zinc/78/31/05/484783105.db2.gz GVXLDXAFVVOMIG-NSHDSACASA-N -1 0 372.465 -0.885 20 0 FBADRM CCn1c(=O)oc2cc(S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])ccc21 ZINC000547912876 484783325 /nfs/dbraw/zinc/78/33/25/484783325.db2.gz DQZUQJHDYVKUPT-KCJUWKMLSA-N -1 0 356.356 -0.177 20 0 FBADRM COCCN(CCC(=O)[O-])S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000547914082 484783447 /nfs/dbraw/zinc/78/34/47/484783447.db2.gz TXSVVKYIOBQNFJ-UHFFFAOYSA-N -1 0 371.415 -0.011 20 0 FBADRM O=C([O-])CN(CCO)S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000547914612 484783809 /nfs/dbraw/zinc/78/38/09/484783809.db2.gz ICYNWNQIJHRMCC-UHFFFAOYSA-N -1 0 368.411 -0.020 20 0 FBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000547914702 484783568 /nfs/dbraw/zinc/78/35/68/484783568.db2.gz OLTXDKOHLGTWJN-JTQLQIEISA-N -1 0 365.429 -0.064 20 0 FBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000547914703 484783285 /nfs/dbraw/zinc/78/32/85/484783285.db2.gz OLTXDKOHLGTWJN-SNVBAGLBSA-N -1 0 365.429 -0.064 20 0 FBADRM CCS(=O)(=O)c1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1 ZINC000547914877 484783557 /nfs/dbraw/zinc/78/35/57/484783557.db2.gz PTOVUNYHEBWGKV-UHFFFAOYSA-N -1 0 351.402 -0.452 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C(=O)[O-])c1cccc(F)c1 ZINC000547915597 484783154 /nfs/dbraw/zinc/78/31/54/484783154.db2.gz KQQCUISFNUVPJN-LLVKDONJSA-N -1 0 368.408 -0.190 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C(=O)[O-])c1cccc(F)c1 ZINC000547915598 484783598 /nfs/dbraw/zinc/78/35/98/484783598.db2.gz KQQCUISFNUVPJN-NSHDSACASA-N -1 0 368.408 -0.190 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000547916000 484783643 /nfs/dbraw/zinc/78/36/43/484783643.db2.gz LUQDUQGUIYXTFS-UHFFFAOYSA-N -1 0 363.413 -0.262 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cc1C(=O)N(C)C ZINC000547916120 484783534 /nfs/dbraw/zinc/78/35/34/484783534.db2.gz PCQNSTPCSGWUCA-GFCCVEGCSA-N -1 0 372.399 -0.129 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cc1C(=O)N(C)C ZINC000547916121 484783369 /nfs/dbraw/zinc/78/33/69/484783369.db2.gz PCQNSTPCSGWUCA-LBPRGKRZSA-N -1 0 372.399 -0.129 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N(CCOC)[C@H](C)C(=O)[O-] ZINC000547916929 484784438 /nfs/dbraw/zinc/78/44/38/484784438.db2.gz PFPJNOOYGFVTDJ-GHMZBOCLSA-N -1 0 352.409 -0.320 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N(CCOC)[C@H](C)C(=O)[O-] ZINC000547916930 484784256 /nfs/dbraw/zinc/78/42/56/484784256.db2.gz PFPJNOOYGFVTDJ-MNOVXSKESA-N -1 0 352.409 -0.320 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N(CCOC)[C@@H](C)C(=O)[O-] ZINC000547916931 484784395 /nfs/dbraw/zinc/78/43/95/484784395.db2.gz PFPJNOOYGFVTDJ-QWRGUYRKSA-N -1 0 352.409 -0.320 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N(CCOC)[C@@H](C)C(=O)[O-] ZINC000547916932 484784695 /nfs/dbraw/zinc/78/46/95/484784695.db2.gz PFPJNOOYGFVTDJ-WDEREUQCSA-N -1 0 352.409 -0.320 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)c3cncc(F)c3)C2)C1 ZINC000547917516 484784470 /nfs/dbraw/zinc/78/44/70/484784470.db2.gz KWTZBOAVGGWFDE-GXSJLCMTSA-N -1 0 357.363 -0.083 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)c3cncc(F)c3)C2)C1 ZINC000547917517 484784480 /nfs/dbraw/zinc/78/44/80/484784480.db2.gz KWTZBOAVGGWFDE-KOLCDFICSA-N -1 0 357.363 -0.083 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)c3cncc(F)c3)C2)C1 ZINC000547917518 484784307 /nfs/dbraw/zinc/78/43/07/484784307.db2.gz KWTZBOAVGGWFDE-MWLCHTKSSA-N -1 0 357.363 -0.083 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)c3cncc(F)c3)C2)C1 ZINC000547917519 484784246 /nfs/dbraw/zinc/78/42/46/484784246.db2.gz KWTZBOAVGGWFDE-ONGXEEELSA-N -1 0 357.363 -0.083 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000547917818 484784153 /nfs/dbraw/zinc/78/41/53/484784153.db2.gz XJOFIAPCTNOHRZ-LLVKDONJSA-N -1 0 353.360 -0.649 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000547917819 484784677 /nfs/dbraw/zinc/78/46/77/484784677.db2.gz XJOFIAPCTNOHRZ-NSHDSACASA-N -1 0 353.360 -0.649 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)[C@H]1C(=O)[O-] ZINC000547919458 484784215 /nfs/dbraw/zinc/78/42/15/484784215.db2.gz JUUYWDXDQZJSEK-GMSGAONNSA-N -1 0 368.371 -0.482 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)[C@H]1C(=O)[O-] ZINC000547919460 484784196 /nfs/dbraw/zinc/78/41/96/484784196.db2.gz JUUYWDXDQZJSEK-OIBJUYFYSA-N -1 0 368.371 -0.482 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)[C@@H]1C(=O)[O-] ZINC000547919463 484784590 /nfs/dbraw/zinc/78/45/90/484784590.db2.gz JUUYWDXDQZJSEK-XCBNKYQSSA-N -1 0 368.371 -0.482 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)[C@@H]1C(=O)[O-] ZINC000547919465 484784560 /nfs/dbraw/zinc/78/45/60/484784560.db2.gz JUUYWDXDQZJSEK-XVKPBYJWSA-N -1 0 368.371 -0.482 20 0 FBADRM CCN(CC1CC1)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000547919755 484784294 /nfs/dbraw/zinc/78/42/94/484784294.db2.gz OAGIATGKBWHXQR-LLVKDONJSA-N -1 0 354.450 -0.463 20 0 FBADRM CCN(CC1CC1)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000547919757 484784383 /nfs/dbraw/zinc/78/43/83/484784383.db2.gz OAGIATGKBWHXQR-NSHDSACASA-N -1 0 354.450 -0.463 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)o1 ZINC000547919840 484784459 /nfs/dbraw/zinc/78/44/59/484784459.db2.gz IDWFCQPZJFSOPO-HTQZYQBOSA-N -1 0 360.344 -0.595 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)o1 ZINC000547919841 484784433 /nfs/dbraw/zinc/78/44/33/484784433.db2.gz IDWFCQPZJFSOPO-JGVFFNPUSA-N -1 0 360.344 -0.595 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)o1 ZINC000547919842 484784290 /nfs/dbraw/zinc/78/42/90/484784290.db2.gz IDWFCQPZJFSOPO-SFYZADRCSA-N -1 0 360.344 -0.595 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)o1 ZINC000547919843 484784744 /nfs/dbraw/zinc/78/47/44/484784744.db2.gz IDWFCQPZJFSOPO-YUMQZZPRSA-N -1 0 360.344 -0.595 20 0 FBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(OC)c(C(N)=O)c1 ZINC000547919918 484784609 /nfs/dbraw/zinc/78/46/09/484784609.db2.gz FRBYFZJHXPLYIA-SECBINFHSA-N -1 0 360.388 -0.096 20 0 FBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(OC)c(C(N)=O)c1 ZINC000547919922 484784671 /nfs/dbraw/zinc/78/46/71/484784671.db2.gz FRBYFZJHXPLYIA-VIFPVBQESA-N -1 0 360.388 -0.096 20 0 FBADRM CC(C)n1cnc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])c1 ZINC000547919944 484784715 /nfs/dbraw/zinc/78/47/15/484784715.db2.gz PVDYYDQRTWEGIZ-JTQLQIEISA-N -1 0 365.433 -0.274 20 0 FBADRM CC(C)n1cnc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])c1 ZINC000547919965 484784464 /nfs/dbraw/zinc/78/44/64/484784464.db2.gz PVDYYDQRTWEGIZ-SNVBAGLBSA-N -1 0 365.433 -0.274 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cn1 ZINC000547920415 484784187 /nfs/dbraw/zinc/78/41/87/484784187.db2.gz VKKIENWHJXLPBC-HZMBPMFUSA-N -1 0 357.388 -0.069 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2C[C@H]3CCC[C@@]3(C(=O)[O-])C2)cn1 ZINC000547920416 484784388 /nfs/dbraw/zinc/78/43/88/484784388.db2.gz VKKIENWHJXLPBC-QMTHXVAHSA-N -1 0 357.388 -0.069 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2C[C@H]3CCC[C@]3(C(=O)[O-])C2)cn1 ZINC000547920417 484784553 /nfs/dbraw/zinc/78/45/53/484784553.db2.gz VKKIENWHJXLPBC-YGRLFVJLSA-N -1 0 357.388 -0.069 20 0 FBADRM NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)N1CCc2ccccc2C1 ZINC000547920763 484784547 /nfs/dbraw/zinc/78/45/47/484784547.db2.gz YSWRTBPIHCKKBK-GXTWGEPZSA-N -1 0 367.427 -0.060 20 0 FBADRM NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)N1CCc2ccccc2C1 ZINC000547920764 484784783 /nfs/dbraw/zinc/78/47/83/484784783.db2.gz YSWRTBPIHCKKBK-JSGCOSHPSA-N -1 0 367.427 -0.060 20 0 FBADRM NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)N1CCc2ccccc2C1 ZINC000547920765 484784178 /nfs/dbraw/zinc/78/41/78/484784178.db2.gz YSWRTBPIHCKKBK-OCCSQVGLSA-N -1 0 367.427 -0.060 20 0 FBADRM NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)N1CCc2ccccc2C1 ZINC000547920766 484784491 /nfs/dbraw/zinc/78/44/91/484784491.db2.gz YSWRTBPIHCKKBK-TZMCWYRMSA-N -1 0 367.427 -0.060 20 0 FBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)C[C@H]1CCCCO1 ZINC000547921181 484784110 /nfs/dbraw/zinc/78/41/10/484784110.db2.gz ZPXVBGKXSGTFBC-GHMZBOCLSA-N -1 0 355.434 -0.541 20 0 FBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)C[C@@H]1CCCCO1 ZINC000547921182 484784330 /nfs/dbraw/zinc/78/43/30/484784330.db2.gz ZPXVBGKXSGTFBC-MNOVXSKESA-N -1 0 355.434 -0.541 20 0 FBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)C[C@@H]1CCCCO1 ZINC000547921183 484784630 /nfs/dbraw/zinc/78/46/30/484784630.db2.gz ZPXVBGKXSGTFBC-QWRGUYRKSA-N -1 0 355.434 -0.541 20 0 FBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)C[C@H]1CCCCO1 ZINC000547921184 484784625 /nfs/dbraw/zinc/78/46/25/484784625.db2.gz ZPXVBGKXSGTFBC-WDEREUQCSA-N -1 0 355.434 -0.541 20 0 FBADRM NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000547921208 484784767 /nfs/dbraw/zinc/78/47/67/484784767.db2.gz FQZNRWLZVSESAM-GXSJLCMTSA-N -1 0 370.383 -0.203 20 0 FBADRM NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000547921209 484784685 /nfs/dbraw/zinc/78/46/85/484784685.db2.gz FQZNRWLZVSESAM-KOLCDFICSA-N -1 0 370.383 -0.203 20 0 FBADRM NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000547921210 484784208 /nfs/dbraw/zinc/78/42/08/484784208.db2.gz FQZNRWLZVSESAM-MWLCHTKSSA-N -1 0 370.383 -0.203 20 0 FBADRM NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000547921211 484784635 /nfs/dbraw/zinc/78/46/35/484784635.db2.gz FQZNRWLZVSESAM-ONGXEEELSA-N -1 0 370.383 -0.203 20 0 FBADRM COC(=O)CCCS(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000547921383 484784649 /nfs/dbraw/zinc/78/46/49/484784649.db2.gz JNSIHISDDDVXAM-GHMZBOCLSA-N -1 0 362.404 -0.723 20 0 FBADRM COC(=O)CCCS(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000547921384 484784300 /nfs/dbraw/zinc/78/43/00/484784300.db2.gz JNSIHISDDDVXAM-MNOVXSKESA-N -1 0 362.404 -0.723 20 0 FBADRM COC(=O)CCCS(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000547921385 484784618 /nfs/dbraw/zinc/78/46/18/484784618.db2.gz JNSIHISDDDVXAM-QWRGUYRKSA-N -1 0 362.404 -0.723 20 0 FBADRM COC(=O)CCCS(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000547921386 484784162 /nfs/dbraw/zinc/78/41/62/484784162.db2.gz JNSIHISDDDVXAM-WDEREUQCSA-N -1 0 362.404 -0.723 20 0 FBADRM Cc1cnc(N)c(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])c1 ZINC000547922628 484784223 /nfs/dbraw/zinc/78/42/23/484784223.db2.gz VAZMXDSJDXSRIY-SECBINFHSA-N -1 0 363.417 -0.765 20 0 FBADRM Cc1cnc(N)c(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])c1 ZINC000547922629 484784805 /nfs/dbraw/zinc/78/48/05/484784805.db2.gz VAZMXDSJDXSRIY-VIFPVBQESA-N -1 0 363.417 -0.765 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000547922841 484784797 /nfs/dbraw/zinc/78/47/97/484784797.db2.gz KDDXVTGZWSRVQO-JQWIXIFHSA-N -1 0 354.450 -0.558 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1C[C@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000547922842 484784527 /nfs/dbraw/zinc/78/45/27/484784527.db2.gz KDDXVTGZWSRVQO-PWSUYJOCSA-N -1 0 354.450 -0.558 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1C[C@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000547922843 484784444 /nfs/dbraw/zinc/78/44/44/484784444.db2.gz KDDXVTGZWSRVQO-ZYHUDNBSSA-N -1 0 354.450 -0.558 20 0 FBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1ccccc1Cn1cncn1 ZINC000547922931 484784537 /nfs/dbraw/zinc/78/45/37/484784537.db2.gz MKWKWHGLBVCSRQ-GFCCVEGCSA-N -1 0 352.372 -0.200 20 0 FBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1ccccc1Cn1cncn1 ZINC000547922937 484784723 /nfs/dbraw/zinc/78/47/23/484784723.db2.gz MKWKWHGLBVCSRQ-LBPRGKRZSA-N -1 0 352.372 -0.200 20 0 FBADRM CC[C@@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000547925134 484784643 /nfs/dbraw/zinc/78/46/43/484784643.db2.gz PIWJTGJADMIKJL-GHMZBOCLSA-N -1 0 371.481 -0.761 20 0 FBADRM CC[C@@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000547925135 484784314 /nfs/dbraw/zinc/78/43/14/484784314.db2.gz PIWJTGJADMIKJL-MNOVXSKESA-N -1 0 371.481 -0.761 20 0 FBADRM CC[C@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000547925136 484784449 /nfs/dbraw/zinc/78/44/49/484784449.db2.gz PIWJTGJADMIKJL-QWRGUYRKSA-N -1 0 371.481 -0.761 20 0 FBADRM CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000547925137 484784788 /nfs/dbraw/zinc/78/47/88/484784788.db2.gz PIWJTGJADMIKJL-WDEREUQCSA-N -1 0 371.481 -0.761 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])c(OC)c1 ZINC000547928601 484784171 /nfs/dbraw/zinc/78/41/71/484784171.db2.gz INBIHHLYIBXQJF-MGUXCZDKSA-N -1 0 363.413 -0.090 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])c(OC)c1 ZINC000547928602 484784497 /nfs/dbraw/zinc/78/44/97/484784497.db2.gz INBIHHLYIBXQJF-MLMJSJRWSA-N -1 0 363.413 -0.090 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])c(OC)c1 ZINC000547928603 484784531 /nfs/dbraw/zinc/78/45/31/484784531.db2.gz INBIHHLYIBXQJF-STFLBKPXSA-N -1 0 363.413 -0.090 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])c(OC)c1 ZINC000547928604 484784509 /nfs/dbraw/zinc/78/45/09/484784509.db2.gz INBIHHLYIBXQJF-ZQJOYCHOSA-N -1 0 363.413 -0.090 20 0 FBADRM COc1cccc(OC)c1S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000547928674 484784690 /nfs/dbraw/zinc/78/46/90/484784690.db2.gz PHZZMBLXWPGHIX-AUADJRAKSA-N -1 0 363.413 -0.090 20 0 FBADRM COc1cccc(OC)c1S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000547928675 484784397 /nfs/dbraw/zinc/78/43/97/484784397.db2.gz PHZZMBLXWPGHIX-CLTRCRFRSA-N -1 0 363.413 -0.090 20 0 FBADRM COc1cccc(OC)c1S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000547928676 484784658 /nfs/dbraw/zinc/78/46/58/484784658.db2.gz PHZZMBLXWPGHIX-GTUYJWLHSA-N -1 0 363.413 -0.090 20 0 FBADRM COc1cccc(OC)c1S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000547928677 484784262 /nfs/dbraw/zinc/78/42/62/484784262.db2.gz PHZZMBLXWPGHIX-PVBMHHQDSA-N -1 0 363.413 -0.090 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])o1 ZINC000547928698 484784577 /nfs/dbraw/zinc/78/45/77/484784577.db2.gz RKVRUGJGUXZJRJ-MWAODPMSSA-N -1 0 351.358 -0.728 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])o1 ZINC000547928699 484784502 /nfs/dbraw/zinc/78/45/02/484784502.db2.gz RKVRUGJGUXZJRJ-QFWYVNQISA-N -1 0 351.358 -0.728 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])o1 ZINC000547928700 484784739 /nfs/dbraw/zinc/78/47/39/484784739.db2.gz RKVRUGJGUXZJRJ-SGWXMTNESA-N -1 0 351.358 -0.728 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])o1 ZINC000547928701 484784519 /nfs/dbraw/zinc/78/45/19/484784519.db2.gz RKVRUGJGUXZJRJ-WODJRTHDSA-N -1 0 351.358 -0.728 20 0 FBADRM CN1CCc2ccc(S(=O)(=O)N3CCS(=O)(=O)C[C@@H]3C(=O)[O-])cc21 ZINC000547928937 484784346 /nfs/dbraw/zinc/78/43/46/484784346.db2.gz JCYRRURJLRAPDR-CYBMUJFWSA-N -1 0 374.440 -0.449 20 0 FBADRM CN1CCc2ccc(S(=O)(=O)N3CCS(=O)(=O)C[C@H]3C(=O)[O-])cc21 ZINC000547928938 484784514 /nfs/dbraw/zinc/78/45/14/484784514.db2.gz JCYRRURJLRAPDR-ZDUSSCGKSA-N -1 0 374.440 -0.449 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])cc1 ZINC000547928968 484784423 /nfs/dbraw/zinc/78/44/23/484784423.db2.gz KXNBIXLZNIZSQS-KPWVOAKYSA-N -1 0 360.413 -0.748 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])cc1 ZINC000547928969 484784486 /nfs/dbraw/zinc/78/44/86/484784486.db2.gz KXNBIXLZNIZSQS-RKFFSXRUSA-N -1 0 360.413 -0.748 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])cc1 ZINC000547928970 484784645 /nfs/dbraw/zinc/78/46/45/484784645.db2.gz KXNBIXLZNIZSQS-SAHAZLINSA-N -1 0 360.413 -0.748 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])cc1 ZINC000547928971 484784654 /nfs/dbraw/zinc/78/46/54/484784654.db2.gz KXNBIXLZNIZSQS-XFNZEKPQSA-N -1 0 360.413 -0.748 20 0 FBADRM CCCN(CC1CC1)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000547929136 484784759 /nfs/dbraw/zinc/78/47/59/484784759.db2.gz CRXBELDTNVISDN-LLVKDONJSA-N -1 0 354.450 -0.463 20 0 FBADRM CCCN(CC1CC1)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000547929137 484784662 /nfs/dbraw/zinc/78/46/62/484784662.db2.gz CRXBELDTNVISDN-NSHDSACASA-N -1 0 354.450 -0.463 20 0 FBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000547929742 484784542 /nfs/dbraw/zinc/78/45/42/484784542.db2.gz HRTHGFAALCSYON-MGUXCZDKSA-N -1 0 359.385 -0.525 20 0 FBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000547929743 484784751 /nfs/dbraw/zinc/78/47/51/484784751.db2.gz HRTHGFAALCSYON-MLMJSJRWSA-N -1 0 359.385 -0.525 20 0 FBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000547929744 484784419 /nfs/dbraw/zinc/78/44/19/484784419.db2.gz HRTHGFAALCSYON-STFLBKPXSA-N -1 0 359.385 -0.525 20 0 FBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000547929745 484784456 /nfs/dbraw/zinc/78/44/56/484784456.db2.gz HRTHGFAALCSYON-ZQJOYCHOSA-N -1 0 359.385 -0.525 20 0 FBADRM Cn1c(=O)oc2cc(S(=O)(=O)N3CC[S@@](=O)C[C@@H]3C(=O)[O-])ccc21 ZINC000547929760 484784338 /nfs/dbraw/zinc/78/43/38/484784338.db2.gz KMKHAQDDFQWQCP-DJNLSKAYSA-N -1 0 374.396 -0.662 20 0 FBADRM Cn1c(=O)oc2cc(S(=O)(=O)N3CC[S@@](=O)C[C@H]3C(=O)[O-])ccc21 ZINC000547929761 484784367 /nfs/dbraw/zinc/78/43/67/484784367.db2.gz KMKHAQDDFQWQCP-SDWAUSNYSA-N -1 0 374.396 -0.662 20 0 FBADRM Cn1c(=O)oc2cc(S(=O)(=O)N3CC[S@](=O)C[C@H]3C(=O)[O-])ccc21 ZINC000547929762 484784602 /nfs/dbraw/zinc/78/46/02/484784602.db2.gz KMKHAQDDFQWQCP-VCGICTTQSA-N -1 0 374.396 -0.662 20 0 FBADRM Cn1c(=O)oc2cc(S(=O)(=O)N3CC[S@](=O)C[C@@H]3C(=O)[O-])ccc21 ZINC000547929763 484785862 /nfs/dbraw/zinc/78/58/62/484785862.db2.gz KMKHAQDDFQWQCP-WYVULQQZSA-N -1 0 374.396 -0.662 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])c(C)o1 ZINC000547929778 484785144 /nfs/dbraw/zinc/78/51/44/484785144.db2.gz LHLYYFYFZRSOMJ-CWMRNNLJSA-N -1 0 365.385 -0.419 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])c(C)o1 ZINC000547929779 484785205 /nfs/dbraw/zinc/78/52/05/484785205.db2.gz LHLYYFYFZRSOMJ-PJLCYMMNSA-N -1 0 365.385 -0.419 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])c(C)o1 ZINC000547929780 484785201 /nfs/dbraw/zinc/78/52/01/484785201.db2.gz LHLYYFYFZRSOMJ-QSIZCVBASA-N -1 0 365.385 -0.419 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])c(C)o1 ZINC000547929781 484785402 /nfs/dbraw/zinc/78/54/02/484785402.db2.gz LHLYYFYFZRSOMJ-ZCAPAMDOSA-N -1 0 365.385 -0.419 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccccc1F ZINC000547929919 484785775 /nfs/dbraw/zinc/78/57/75/484785775.db2.gz FZSJXFBIAYEPLU-LLVKDONJSA-N -1 0 351.377 -0.161 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccccc1F ZINC000547929920 484785815 /nfs/dbraw/zinc/78/58/15/484785815.db2.gz FZSJXFBIAYEPLU-NSHDSACASA-N -1 0 351.377 -0.161 20 0 FBADRM COc1cccc(CS(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC000547930039 484785781 /nfs/dbraw/zinc/78/57/81/484785781.db2.gz HNOPIKXCOJRICS-GFCCVEGCSA-N -1 0 363.413 -0.291 20 0 FBADRM COc1cccc(CS(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC000547930040 484785760 /nfs/dbraw/zinc/78/57/60/484785760.db2.gz HNOPIKXCOJRICS-LBPRGKRZSA-N -1 0 363.413 -0.291 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc2c(c1)COC2 ZINC000547930232 484785925 /nfs/dbraw/zinc/78/59/25/484785925.db2.gz NNIOAFUOSWOJLF-GFCCVEGCSA-N -1 0 361.397 -0.411 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc2c(c1)COC2 ZINC000547930239 484785598 /nfs/dbraw/zinc/78/55/98/484785598.db2.gz NNIOAFUOSWOJLF-LBPRGKRZSA-N -1 0 361.397 -0.411 20 0 FBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])C1 ZINC000547930270 484785630 /nfs/dbraw/zinc/78/56/30/484785630.db2.gz PNXSNVFITKLQIT-AXFHLTTASA-N -1 0 354.450 -0.607 20 0 FBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])C1 ZINC000547930272 484785876 /nfs/dbraw/zinc/78/58/76/484785876.db2.gz PNXSNVFITKLQIT-GMTAPVOTSA-N -1 0 354.450 -0.607 20 0 FBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])C1 ZINC000547930273 484785420 /nfs/dbraw/zinc/78/54/20/484785420.db2.gz PNXSNVFITKLQIT-MXWKQRLJSA-N -1 0 354.450 -0.607 20 0 FBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])C1 ZINC000547930274 484785297 /nfs/dbraw/zinc/78/52/97/484785297.db2.gz PNXSNVFITKLQIT-OUAUKWLOSA-N -1 0 354.450 -0.607 20 0 FBADRM CN(CC1CC1)S(=O)(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000547930281 484785537 /nfs/dbraw/zinc/78/55/37/484785537.db2.gz PUBAYXAUJSLZHG-GFCCVEGCSA-N -1 0 359.448 -0.030 20 0 FBADRM CN(CC1CC1)S(=O)(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000547930284 484785362 /nfs/dbraw/zinc/78/53/62/484785362.db2.gz PUBAYXAUJSLZHG-LBPRGKRZSA-N -1 0 359.448 -0.030 20 0 FBADRM Cn1cnc2cc(S(=O)(=O)N3CC[S@@](=O)C[C@H]3C(=O)[O-])ccc21 ZINC000547930383 484785248 /nfs/dbraw/zinc/78/52/48/484785248.db2.gz HUPXYYVRYQNNDM-AMXDTQDGSA-N -1 0 357.413 -0.221 20 0 FBADRM Cn1cnc2cc(S(=O)(=O)N3CC[S@](=O)C[C@@H]3C(=O)[O-])ccc21 ZINC000547930384 484785264 /nfs/dbraw/zinc/78/52/64/484785264.db2.gz HUPXYYVRYQNNDM-IPQOISQHSA-N -1 0 357.413 -0.221 20 0 FBADRM Cn1cnc2cc(S(=O)(=O)N3CC[S@@](=O)C[C@@H]3C(=O)[O-])ccc21 ZINC000547930385 484785290 /nfs/dbraw/zinc/78/52/90/484785290.db2.gz HUPXYYVRYQNNDM-VERVWZFWSA-N -1 0 357.413 -0.221 20 0 FBADRM Cn1cnc2cc(S(=O)(=O)N3CC[S@](=O)C[C@H]3C(=O)[O-])ccc21 ZINC000547930386 484785800 /nfs/dbraw/zinc/78/58/00/484785800.db2.gz HUPXYYVRYQNNDM-YTEVENLXSA-N -1 0 357.413 -0.221 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])c1 ZINC000547930590 484785944 /nfs/dbraw/zinc/78/59/44/484785944.db2.gz UBEKSOGSJAHSFD-KPWVOAKYSA-N -1 0 361.397 -0.321 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])c1 ZINC000547930591 484785731 /nfs/dbraw/zinc/78/57/31/484785731.db2.gz UBEKSOGSJAHSFD-RKFFSXRUSA-N -1 0 361.397 -0.321 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])c1 ZINC000547930592 484785740 /nfs/dbraw/zinc/78/57/40/484785740.db2.gz UBEKSOGSJAHSFD-SAHAZLINSA-N -1 0 361.397 -0.321 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])c1 ZINC000547930593 484785932 /nfs/dbraw/zinc/78/59/32/484785932.db2.gz UBEKSOGSJAHSFD-XFNZEKPQSA-N -1 0 361.397 -0.321 20 0 FBADRM COCc1ccccc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000547930713 484785919 /nfs/dbraw/zinc/78/59/19/484785919.db2.gz FTOAAPRKKSPVCJ-LLVKDONJSA-N -1 0 363.413 -0.295 20 0 FBADRM COCc1ccccc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000547930714 484785371 /nfs/dbraw/zinc/78/53/71/484785371.db2.gz FTOAAPRKKSPVCJ-NSHDSACASA-N -1 0 363.413 -0.295 20 0 FBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000547930988 484785820 /nfs/dbraw/zinc/78/58/20/484785820.db2.gz DONQWFGOHBAWFC-MGUXCZDKSA-N -1 0 361.397 -0.336 20 0 FBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000547930989 484785712 /nfs/dbraw/zinc/78/57/12/484785712.db2.gz DONQWFGOHBAWFC-MLMJSJRWSA-N -1 0 361.397 -0.336 20 0 FBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000547930990 484785686 /nfs/dbraw/zinc/78/56/86/484785686.db2.gz DONQWFGOHBAWFC-STFLBKPXSA-N -1 0 361.397 -0.336 20 0 FBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000547930991 484785211 /nfs/dbraw/zinc/78/52/11/484785211.db2.gz DONQWFGOHBAWFC-ZQJOYCHOSA-N -1 0 361.397 -0.336 20 0 FBADRM COCCN(C)S(=O)(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000547931073 484785833 /nfs/dbraw/zinc/78/58/33/484785833.db2.gz QKJRFIMITJFBON-LLVKDONJSA-N -1 0 363.436 -0.793 20 0 FBADRM COCCN(C)S(=O)(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000547931074 484785768 /nfs/dbraw/zinc/78/57/68/484785768.db2.gz QKJRFIMITJFBON-NSHDSACASA-N -1 0 363.436 -0.793 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](CC(=O)CC)C(=O)[O-] ZINC000547931802 484785442 /nfs/dbraw/zinc/78/54/42/484785442.db2.gz JCMNTOORMQLLNH-GHMZBOCLSA-N -1 0 350.393 -0.329 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](CC(=O)CC)C(=O)[O-] ZINC000547931803 484785702 /nfs/dbraw/zinc/78/57/02/484785702.db2.gz JCMNTOORMQLLNH-MNOVXSKESA-N -1 0 350.393 -0.329 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](CC(=O)CC)C(=O)[O-] ZINC000547931804 484785177 /nfs/dbraw/zinc/78/51/77/484785177.db2.gz JCMNTOORMQLLNH-QWRGUYRKSA-N -1 0 350.393 -0.329 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](CC(=O)CC)C(=O)[O-] ZINC000547931805 484785190 /nfs/dbraw/zinc/78/51/90/484785190.db2.gz JCMNTOORMQLLNH-WDEREUQCSA-N -1 0 350.393 -0.329 20 0 FBADRM CCS(=O)(=O)c1ccc(S(=O)(=O)NCCOCC(=O)[O-])cc1 ZINC000547932111 484785321 /nfs/dbraw/zinc/78/53/21/484785321.db2.gz WODQRRCHVHVUGP-UHFFFAOYSA-N -1 0 351.402 -0.140 20 0 FBADRM COC(=O)c1cc(OC)c(S(=O)(=O)NCCOCC(=O)[O-])s1 ZINC000547932511 484785302 /nfs/dbraw/zinc/78/53/02/484785302.db2.gz HSFJPHYSECQSFV-UHFFFAOYSA-N -1 0 353.374 -0.077 20 0 FBADRM COC(=O)c1c(OC)ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1OC ZINC000547933079 484785751 /nfs/dbraw/zinc/78/57/51/484785751.db2.gz QLKNZHKMTFJYMR-ZETCQYMHSA-N -1 0 363.344 -0.786 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)NCC2(CC(=O)[O-])CCC2)CC1 ZINC000547933333 484785238 /nfs/dbraw/zinc/78/52/38/484785238.db2.gz UNXGJLYHEPTURB-UHFFFAOYSA-N -1 0 369.465 -0.957 20 0 FBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCOCC(=O)[O-])cc1F ZINC000547933930 484785570 /nfs/dbraw/zinc/78/55/70/484785570.db2.gz TVIGTXPMSUYTSR-UHFFFAOYSA-N -1 0 370.380 -0.423 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@H](CC(=O)CC)C(=O)[O-])CC1 ZINC000547934376 484785664 /nfs/dbraw/zinc/78/56/64/484785664.db2.gz BIPFWWRNNQZISC-GFCCVEGCSA-N -1 0 364.420 -0.082 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](CC(=O)CC)C(=O)[O-])CC1 ZINC000547934377 484786020 /nfs/dbraw/zinc/78/60/20/484786020.db2.gz BIPFWWRNNQZISC-LBPRGKRZSA-N -1 0 364.420 -0.082 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000547934939 484785619 /nfs/dbraw/zinc/78/56/19/484785619.db2.gz ZKUKJJTYTOZXHM-NSHDSACASA-N -1 0 358.482 -0.018 20 0 FBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000547935521 484785953 /nfs/dbraw/zinc/78/59/53/484785953.db2.gz HEMRGTOBBYCTEH-BXKDBHETSA-N -1 0 365.429 -0.017 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000547935522 484785278 /nfs/dbraw/zinc/78/52/78/484785278.db2.gz HEMRGTOBBYCTEH-CABZTGNLSA-N -1 0 365.429 -0.017 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000547935523 484785720 /nfs/dbraw/zinc/78/57/20/484785720.db2.gz HEMRGTOBBYCTEH-JOYOIKCWSA-N -1 0 365.429 -0.017 20 0 FBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000547935524 484786002 /nfs/dbraw/zinc/78/60/02/484786002.db2.gz HEMRGTOBBYCTEH-SKDRFNHKSA-N -1 0 365.429 -0.017 20 0 FBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-] ZINC000547935774 484785789 /nfs/dbraw/zinc/78/57/89/484785789.db2.gz PWTAFNLGZPATSJ-HTRCEHHLSA-N -1 0 352.390 -0.178 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-] ZINC000547935775 484785481 /nfs/dbraw/zinc/78/54/81/484785481.db2.gz PWTAFNLGZPATSJ-POYBYMJQSA-N -1 0 352.390 -0.178 20 0 FBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-] ZINC000547935776 484785556 /nfs/dbraw/zinc/78/55/56/484785556.db2.gz PWTAFNLGZPATSJ-SVRRBLITSA-N -1 0 352.390 -0.178 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-] ZINC000547935777 484786034 /nfs/dbraw/zinc/78/60/34/484786034.db2.gz PWTAFNLGZPATSJ-XPUUQOCRSA-N -1 0 352.390 -0.178 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](Cc2ccco2)C(=O)[O-])cn1C ZINC000547935974 484785810 /nfs/dbraw/zinc/78/58/10/484785810.db2.gz SFMGEQIVRMAIFE-LLVKDONJSA-N -1 0 355.372 -0.048 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](Cc2ccco2)C(=O)[O-])cn1C ZINC000547935977 484785127 /nfs/dbraw/zinc/78/51/27/484785127.db2.gz SFMGEQIVRMAIFE-NSHDSACASA-N -1 0 355.372 -0.048 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCOCC(=O)[O-])cc1 ZINC000547936353 484785964 /nfs/dbraw/zinc/78/59/64/484785964.db2.gz ZFUPXGUZMNFLLA-UHFFFAOYSA-N -1 0 366.417 -0.684 20 0 FBADRM COC(=O)c1ccccc1CS(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000547936656 484785901 /nfs/dbraw/zinc/78/59/01/484785901.db2.gz PEZISAWYGKRCKP-UHFFFAOYSA-N -1 0 368.371 -0.231 20 0 FBADRM Cn1ncnc1COc1ccc(S(=O)(=O)NCCOCC(=O)[O-])cc1 ZINC000547936931 484785525 /nfs/dbraw/zinc/78/55/25/484785525.db2.gz QNZAGHPOFIYSNN-UHFFFAOYSA-N -1 0 370.387 -0.226 20 0 FBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000547936952 484785196 /nfs/dbraw/zinc/78/51/96/484785196.db2.gz VUYOPXTXOPELJK-NEPJUHHUSA-N -1 0 355.376 -0.445 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000547936954 484785514 /nfs/dbraw/zinc/78/55/14/484785514.db2.gz VUYOPXTXOPELJK-NWDGAFQWSA-N -1 0 355.376 -0.445 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000547936955 484785882 /nfs/dbraw/zinc/78/58/82/484785882.db2.gz VUYOPXTXOPELJK-RYUDHWBXSA-N -1 0 355.376 -0.445 20 0 FBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000547936956 484785867 /nfs/dbraw/zinc/78/58/67/484785867.db2.gz VUYOPXTXOPELJK-VXGBXAGGSA-N -1 0 355.376 -0.445 20 0 FBADRM COc1ccc(S(=O)(=O)NCCOCC(=O)[O-])cc1C(=O)N(C)C ZINC000547937052 484785591 /nfs/dbraw/zinc/78/55/91/484785591.db2.gz ZCADVVHXXLDNPD-UHFFFAOYSA-N -1 0 360.388 -0.224 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](CC(=O)[O-])C1CCOCC1 ZINC000547937257 484785385 /nfs/dbraw/zinc/78/53/85/484785385.db2.gz ZQQYHRJZEIMERU-LLVKDONJSA-N -1 0 352.409 -0.414 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CCOCC1 ZINC000547937258 484785150 /nfs/dbraw/zinc/78/51/50/484785150.db2.gz ZQQYHRJZEIMERU-NSHDSACASA-N -1 0 352.409 -0.414 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCOCC(=O)[O-] ZINC000547938099 484785454 /nfs/dbraw/zinc/78/54/54/484785454.db2.gz UKNMMGYRUBRFEM-UHFFFAOYSA-N -1 0 351.402 -0.222 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C2CCOCC2)cc1C(N)=O ZINC000547939164 484785827 /nfs/dbraw/zinc/78/58/27/484785827.db2.gz ZNGQBIVXPMOBEC-LLVKDONJSA-N -1 0 359.404 -0.328 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CCOCC2)cc1C(N)=O ZINC000547939165 484785257 /nfs/dbraw/zinc/78/52/57/484785257.db2.gz ZNGQBIVXPMOBEC-NSHDSACASA-N -1 0 359.404 -0.328 20 0 FBADRM O=C([O-])Cn1cc(CNS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)nn1 ZINC000547940015 484785156 /nfs/dbraw/zinc/78/51/56/484785156.db2.gz CEVRFYYPRLPNSV-UHFFFAOYSA-N -1 0 365.371 -0.873 20 0 FBADRM COC(=O)c1csc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000547940412 484785647 /nfs/dbraw/zinc/78/56/47/484785647.db2.gz LAWTVWCWIKNCGI-UHFFFAOYSA-N -1 0 360.373 -0.311 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)NCc3cn(CC(=O)[O-])nn3)cc12 ZINC000547940415 484785938 /nfs/dbraw/zinc/78/59/38/484785938.db2.gz LDGPKAGGFHPSBR-UHFFFAOYSA-N -1 0 365.375 -0.569 20 0 FBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)[O-] ZINC000547940985 484785495 /nfs/dbraw/zinc/78/54/95/484785495.db2.gz GZBUPPAHPSMYNP-CHWSQXEVSA-N -1 0 371.415 -0.231 20 0 FBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)[O-] ZINC000547940986 484785971 /nfs/dbraw/zinc/78/59/71/484785971.db2.gz GZBUPPAHPSMYNP-OLZOCXBDSA-N -1 0 371.415 -0.231 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)[O-] ZINC000547940987 484785894 /nfs/dbraw/zinc/78/58/94/484785894.db2.gz GZBUPPAHPSMYNP-QWHCGFSZSA-N -1 0 371.415 -0.231 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)[O-] ZINC000547941112 484785991 /nfs/dbraw/zinc/78/59/91/484785991.db2.gz GZBUPPAHPSMYNP-STQMWFEESA-N -1 0 371.415 -0.231 20 0 FBADRM COC[C@@H](C)n1ccc(NC(=O)CNS(=O)(=O)c2cn(C)cn2)n1 ZINC000547987438 484350606 /nfs/dbraw/zinc/35/06/06/484350606.db2.gz LSCAOXBOGWSTCI-SNVBAGLBSA-N -1 0 356.408 -0.259 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])cn1 ZINC000548027210 484788472 /nfs/dbraw/zinc/78/84/72/484788472.db2.gz AAWAGUCIAZGIJH-GAFUQQFSSA-N -1 0 357.388 -0.070 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cn1 ZINC000548027211 484787922 /nfs/dbraw/zinc/78/79/22/484787922.db2.gz AAWAGUCIAZGIJH-NDMJEZRESA-N -1 0 357.388 -0.070 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])cn1 ZINC000548027212 484788135 /nfs/dbraw/zinc/78/81/35/484788135.db2.gz AAWAGUCIAZGIJH-UFGOTCBOSA-N -1 0 357.388 -0.070 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cn1 ZINC000548027213 484789459 /nfs/dbraw/zinc/78/94/59/484789459.db2.gz AAWAGUCIAZGIJH-XHVZSJERSA-N -1 0 357.388 -0.070 20 0 FBADRM C[C@](CO)(CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)CC(=O)[O-] ZINC000548030091 484790041 /nfs/dbraw/zinc/79/00/41/484790041.db2.gz QYPFQKMIMKWSGA-GFCCVEGCSA-N -1 0 366.417 -0.914 20 0 FBADRM C[C@@](CO)(CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)CC(=O)[O-] ZINC000548030092 484789889 /nfs/dbraw/zinc/78/98/89/484789889.db2.gz QYPFQKMIMKWSGA-LBPRGKRZSA-N -1 0 366.417 -0.914 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])C2(C)CCCCC2)c(=O)n(C)c1=O ZINC000548030656 484789311 /nfs/dbraw/zinc/78/93/11/484789311.db2.gz UESNVOZBNPQCJS-LLVKDONJSA-N -1 0 373.431 -0.214 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C2(C)CCCCC2)c(=O)n(C)c1=O ZINC000548030657 484790046 /nfs/dbraw/zinc/79/00/46/484790046.db2.gz UESNVOZBNPQCJS-NSHDSACASA-N -1 0 373.431 -0.214 20 0 FBADRM CCOC(=O)c1n[nH]c([C@H](CC(C)C)NC(=O)Cn2ncn(C)c2=O)n1 ZINC000548055680 484789391 /nfs/dbraw/zinc/78/93/91/484789391.db2.gz DVZOKZXKZXZXIG-JTQLQIEISA-N -1 0 365.394 -0.220 20 0 FBADRM CCOC(=O)c1n[nH]c([C@@H](CC(C)C)NC(=O)Cn2ncn(C)c2=O)n1 ZINC000548055681 484790233 /nfs/dbraw/zinc/79/02/33/484790233.db2.gz DVZOKZXKZXZXIG-SNVBAGLBSA-N -1 0 365.394 -0.220 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cn1 ZINC000548107520 484792639 /nfs/dbraw/zinc/79/26/39/484792639.db2.gz RCHNTQDZSOCPOK-JTQLQIEISA-N -1 0 351.392 -0.477 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cn1 ZINC000548107521 484792772 /nfs/dbraw/zinc/79/27/72/484792772.db2.gz RCHNTQDZSOCPOK-SNVBAGLBSA-N -1 0 351.392 -0.477 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@H]3CCN(C)C3=O)cc2)[n-]1 ZINC000548109902 484792732 /nfs/dbraw/zinc/79/27/32/484792732.db2.gz LQQQCDZAILMKJH-AWEZNQCLSA-N -1 0 372.381 -0.158 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H]3CCN(C)C3=O)cc2)[n-]1 ZINC000548109903 484792505 /nfs/dbraw/zinc/79/25/05/484792505.db2.gz LQQQCDZAILMKJH-CQSZACIVSA-N -1 0 372.381 -0.158 20 0 FBADRM COc1cc(=NC([O-])=CC=C(O)Nc2ccc3[nH]c(=O)nc-3[nH]2)[nH]n1C ZINC000548143986 484794797 /nfs/dbraw/zinc/79/47/97/484794797.db2.gz GHBQZQQHHNNXLJ-UHFFFAOYSA-N -1 0 359.346 -0.393 20 0 FBADRM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)nn1C ZINC000548149871 484417558 /nfs/dbraw/zinc/41/75/58/484417558.db2.gz DACBTOSKONIVKW-UHFFFAOYSA-N -1 0 350.356 0.455 20 0 FBADRM COc1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nn1C ZINC000548150672 484417785 /nfs/dbraw/zinc/41/77/85/484417785.db2.gz RRZDVXVXYCHGEC-UHFFFAOYSA-N -1 0 374.444 0.480 20 0 FBADRM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1C ZINC000548196301 484796333 /nfs/dbraw/zinc/79/63/33/484796333.db2.gz FKYJGKZZFXGFEX-UHFFFAOYSA-N -1 0 361.376 -0.713 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000548196467 484795819 /nfs/dbraw/zinc/79/58/19/484795819.db2.gz FGDLJXCVOCPHJF-UHFFFAOYSA-N -1 0 352.372 -0.590 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c(=O)n(C)c1=O ZINC000548197115 484796171 /nfs/dbraw/zinc/79/61/71/484796171.db2.gz UEQTYMOUJCWNGJ-LLVKDONJSA-N -1 0 371.346 -0.673 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccccc2F)c(=O)n(C)c1=O ZINC000548197116 484796033 /nfs/dbraw/zinc/79/60/33/484796033.db2.gz UEQTYMOUJCWNGJ-NSHDSACASA-N -1 0 371.346 -0.673 20 0 FBADRM Cc1nn2cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cnc2c1Cl ZINC000548197525 484795800 /nfs/dbraw/zinc/79/58/00/484795800.db2.gz FOSMVBROCJJWMG-UHFFFAOYSA-N -1 0 361.767 -0.830 20 0 FBADRM CCS(=O)(=O)c1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cc1 ZINC000548198175 484796375 /nfs/dbraw/zinc/79/63/75/484796375.db2.gz AUBYVFPBCRNQDZ-NSHDSACASA-N -1 0 351.402 -0.406 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000548198258 484796142 /nfs/dbraw/zinc/79/61/42/484796142.db2.gz IDCGPRQOUSAWCN-UHFFFAOYSA-N -1 0 356.335 -0.510 20 0 FBADRM C[C@H](CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000548198522 484796425 /nfs/dbraw/zinc/79/64/25/484796425.db2.gz QOEHYOPCOVHMSK-SECBINFHSA-N -1 0 350.418 -0.064 20 0 FBADRM C[C@@H](CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000548198523 484795596 /nfs/dbraw/zinc/79/55/96/484795596.db2.gz QOEHYOPCOVHMSK-VIFPVBQESA-N -1 0 350.418 -0.064 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NC[C@H](CC(=O)[O-])C(C)(C)C ZINC000548199799 484796253 /nfs/dbraw/zinc/79/62/53/484796253.db2.gz KDWYPWCYXYDNOC-JTQLQIEISA-N -1 0 358.482 -0.018 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NC[C@@H](CC(=O)[O-])C(C)(C)C ZINC000548199800 484795891 /nfs/dbraw/zinc/79/58/91/484795891.db2.gz KDWYPWCYXYDNOC-SNVBAGLBSA-N -1 0 358.482 -0.018 20 0 FBADRM NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000548199901 484795530 /nfs/dbraw/zinc/79/55/30/484795530.db2.gz PFSBKENPKPOGAX-ZCFIWIBFSA-N -1 0 352.166 -0.549 20 0 FBADRM Cn1cc([C@@H](NS(=O)(=O)c2ccccc2S(C)(=O)=O)C(=O)[O-])cn1 ZINC000548200094 484796204 /nfs/dbraw/zinc/79/62/04/484796204.db2.gz ARFHQYWPDIAJEN-GFCCVEGCSA-N -1 0 373.412 -0.072 20 0 FBADRM Cn1cc([C@H](NS(=O)(=O)c2ccccc2S(C)(=O)=O)C(=O)[O-])cn1 ZINC000548200095 484796224 /nfs/dbraw/zinc/79/62/24/484796224.db2.gz ARFHQYWPDIAJEN-LBPRGKRZSA-N -1 0 373.412 -0.072 20 0 FBADRM CCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1 ZINC000548200326 484796059 /nfs/dbraw/zinc/79/60/59/484796059.db2.gz BUVASNNUDMOBJX-SNVBAGLBSA-N -1 0 364.401 -0.913 20 0 FBADRM COCC[C@@H](NS(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000548200541 484795604 /nfs/dbraw/zinc/79/56/04/484795604.db2.gz JMTMSDNBZPQPNR-SECBINFHSA-N -1 0 351.402 -0.142 20 0 FBADRM COCC[C@H](NS(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000548200542 484796288 /nfs/dbraw/zinc/79/62/88/484796288.db2.gz JMTMSDNBZPQPNR-VIFPVBQESA-N -1 0 351.402 -0.142 20 0 FBADRM Cc1c(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cnn1-c1ccccn1 ZINC000548200892 484795622 /nfs/dbraw/zinc/79/56/22/484795622.db2.gz VAOMHTLIAPOVLB-SECBINFHSA-N -1 0 353.360 -0.817 20 0 FBADRM CCc1noc2ncc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cc12 ZINC000548200934 484796410 /nfs/dbraw/zinc/79/64/10/484796410.db2.gz XXFOOMNQADBPFA-SNVBAGLBSA-N -1 0 356.360 -0.218 20 0 FBADRM COCC[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000548200940 484796325 /nfs/dbraw/zinc/79/63/25/484796325.db2.gz YINGYYSIWNFARE-JTQLQIEISA-N -1 0 352.390 -0.898 20 0 FBADRM COCC[C@@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000548200941 484796309 /nfs/dbraw/zinc/79/63/09/484796309.db2.gz YINGYYSIWNFARE-SNVBAGLBSA-N -1 0 352.390 -0.898 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000548201403 484795748 /nfs/dbraw/zinc/79/57/48/484795748.db2.gz NNFXEWLBHSMYMI-PSASIEDQSA-N -1 0 361.376 -0.256 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000548201404 484796157 /nfs/dbraw/zinc/79/61/57/484796157.db2.gz NNFXEWLBHSMYMI-SCZZXKLOSA-N -1 0 361.376 -0.256 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000548201405 484795926 /nfs/dbraw/zinc/79/59/26/484795926.db2.gz NNFXEWLBHSMYMI-WCBMZHEXSA-N -1 0 361.376 -0.256 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000548201406 484796388 /nfs/dbraw/zinc/79/63/88/484796388.db2.gz NNFXEWLBHSMYMI-WPRPVWTQSA-N -1 0 361.376 -0.256 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000548201417 484795706 /nfs/dbraw/zinc/79/57/06/484795706.db2.gz OGZSGPVQAAKTSF-LLVKDONJSA-N -1 0 351.402 -0.128 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)CC1 ZINC000548201574 484796127 /nfs/dbraw/zinc/79/61/27/484796127.db2.gz PZFWUVWPGVBSCP-GHMZBOCLSA-N -1 0 350.393 -0.805 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)CC1 ZINC000548201576 484796367 /nfs/dbraw/zinc/79/63/67/484796367.db2.gz PZFWUVWPGVBSCP-MNOVXSKESA-N -1 0 350.393 -0.805 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)CC1 ZINC000548201577 484796455 /nfs/dbraw/zinc/79/64/55/484796455.db2.gz PZFWUVWPGVBSCP-QWRGUYRKSA-N -1 0 350.393 -0.805 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)CC1 ZINC000548201578 484795715 /nfs/dbraw/zinc/79/57/15/484795715.db2.gz PZFWUVWPGVBSCP-WDEREUQCSA-N -1 0 350.393 -0.805 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])cc1 ZINC000548201640 484796260 /nfs/dbraw/zinc/79/62/60/484796260.db2.gz VCROVEFLVFUCIR-MRVPVSSYSA-N -1 0 358.344 -0.279 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])cc1 ZINC000548201641 484795587 /nfs/dbraw/zinc/79/55/87/484795587.db2.gz VCROVEFLVFUCIR-QMMMGPOBSA-N -1 0 358.344 -0.279 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)cn1 ZINC000548202186 484795558 /nfs/dbraw/zinc/79/55/58/484795558.db2.gz CKTKLYVJUZLTKN-UHFFFAOYSA-N -1 0 361.376 -0.784 20 0 FBADRM COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000548202238 484796134 /nfs/dbraw/zinc/79/61/34/484796134.db2.gz FRPCHPQEUXRBNH-SNVBAGLBSA-N -1 0 358.372 -0.233 20 0 FBADRM CN1C(=O)Cc2cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]3CCOC3)ccc21 ZINC000548202381 484795916 /nfs/dbraw/zinc/79/59/16/484795916.db2.gz JJIOINVTVNQALE-LKFCYVNXSA-N -1 0 354.384 -0.027 20 0 FBADRM CN1C(=O)Cc2cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]3CCOC3)ccc21 ZINC000548202383 484796432 /nfs/dbraw/zinc/79/64/32/484796432.db2.gz JJIOINVTVNQALE-OTYXRUKQSA-N -1 0 354.384 -0.027 20 0 FBADRM CN1C(=O)Cc2cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]3CCOC3)ccc21 ZINC000548202384 484796480 /nfs/dbraw/zinc/79/64/80/484796480.db2.gz JJIOINVTVNQALE-XPTSAGLGSA-N -1 0 354.384 -0.027 20 0 FBADRM CN1C(=O)Cc2cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]3CCOC3)ccc21 ZINC000548202385 484796485 /nfs/dbraw/zinc/79/64/85/484796485.db2.gz JJIOINVTVNQALE-YMTOWFKASA-N -1 0 354.384 -0.027 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N[C@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000548202478 484795863 /nfs/dbraw/zinc/79/58/63/484795863.db2.gz BRZFBZJYSQJVTI-MRVPVSSYSA-N -1 0 374.400 -0.134 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N[C@@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000548202479 484796531 /nfs/dbraw/zinc/79/65/31/484796531.db2.gz BRZFBZJYSQJVTI-QMMMGPOBSA-N -1 0 374.400 -0.134 20 0 FBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000548202541 484795758 /nfs/dbraw/zinc/79/57/58/484795758.db2.gz DMKYBDHQFPPLMI-GFCCVEGCSA-N -1 0 360.363 -0.215 20 0 FBADRM Cc1nn(C)c(C)c1[C@@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000548203352 484796094 /nfs/dbraw/zinc/79/60/94/484796094.db2.gz KFFKWUBZBSMAGV-GFCCVEGCSA-N -1 0 369.403 -0.421 20 0 FBADRM Cc1nn(C)c(C)c1[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000548203355 484795662 /nfs/dbraw/zinc/79/56/62/484795662.db2.gz KFFKWUBZBSMAGV-LBPRGKRZSA-N -1 0 369.403 -0.421 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)NCc2nc(C(=O)[O-])cs2)cn1 ZINC000548204029 484796523 /nfs/dbraw/zinc/79/65/23/484796523.db2.gz PHUBPSJADVCDOT-UHFFFAOYSA-N -1 0 360.373 -0.311 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@H](CCSC)C(=O)[O-])cn1 ZINC000548204118 484796079 /nfs/dbraw/zinc/79/60/79/484796079.db2.gz YFFQDYZARLSKEX-SECBINFHSA-N -1 0 351.406 -0.459 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)cn1C ZINC000548205264 484796089 /nfs/dbraw/zinc/79/60/89/484796089.db2.gz PABCCQXXLWJCPH-LLVKDONJSA-N -1 0 356.360 -0.351 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)cn1C ZINC000548205265 484795836 /nfs/dbraw/zinc/79/58/36/484795836.db2.gz PABCCQXXLWJCPH-NSHDSACASA-N -1 0 356.360 -0.351 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)NC[C@@H](Cc1ccccn1)C(=O)[O-] ZINC000548205736 484796447 /nfs/dbraw/zinc/79/64/47/484796447.db2.gz CRWLEFMFNJBWTN-LLVKDONJSA-N -1 0 364.445 -0.321 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)NC[C@H](Cc1ccccn1)C(=O)[O-] ZINC000548205737 484795630 /nfs/dbraw/zinc/79/56/30/484795630.db2.gz CRWLEFMFNJBWTN-NSHDSACASA-N -1 0 364.445 -0.321 20 0 FBADRM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000548205904 484795849 /nfs/dbraw/zinc/79/58/49/484795849.db2.gz HBKPPFSNJOWGIM-SECBINFHSA-N -1 0 365.335 -0.265 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)cc1 ZINC000548206163 484795912 /nfs/dbraw/zinc/79/59/12/484795912.db2.gz ZWXOTLIDQJSGRA-GZMMTYOYSA-N -1 0 364.401 -0.898 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)cc1 ZINC000548206165 484795655 /nfs/dbraw/zinc/79/56/55/484795655.db2.gz ZWXOTLIDQJSGRA-KCJUWKMLSA-N -1 0 364.401 -0.898 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)cc1 ZINC000548206167 484796002 /nfs/dbraw/zinc/79/60/02/484796002.db2.gz ZWXOTLIDQJSGRA-KWQFWETISA-N -1 0 364.401 -0.898 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)cc1 ZINC000548206169 484795567 /nfs/dbraw/zinc/79/55/67/484795567.db2.gz ZWXOTLIDQJSGRA-LDYMZIIASA-N -1 0 364.401 -0.898 20 0 FBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000548206873 484795826 /nfs/dbraw/zinc/79/58/26/484795826.db2.gz DMKYBDHQFPPLMI-LBPRGKRZSA-N -1 0 360.363 -0.215 20 0 FBADRM CC1(C)c2cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])ccc2NC1=O ZINC000548207430 484795697 /nfs/dbraw/zinc/79/56/97/484795697.db2.gz QFLPJYULLFOXGZ-SNVBAGLBSA-N -1 0 355.372 -0.477 20 0 FBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000548208197 484795957 /nfs/dbraw/zinc/79/59/57/484795957.db2.gz RTPSXDFQWDVRER-LURJTMIESA-N -1 0 350.736 -0.112 20 0 FBADRM COCCOc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1C ZINC000548208411 484796439 /nfs/dbraw/zinc/79/64/39/484796439.db2.gz TYYVYYPZZUHGNQ-LLVKDONJSA-N -1 0 360.388 -0.373 20 0 FBADRM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1C ZINC000548208479 484796052 /nfs/dbraw/zinc/79/60/52/484796052.db2.gz YRTJAOBSHNFQMI-MRVPVSSYSA-N -1 0 361.376 -0.585 20 0 FBADRM Cn1cc([C@@H](NS(=O)(=O)c2ccc(-n3cnnn3)cc2)C(=O)[O-])cn1 ZINC000548208704 484796304 /nfs/dbraw/zinc/79/63/04/484796304.db2.gz PCLHJTSEWXIDHD-GFCCVEGCSA-N -1 0 363.359 -0.500 20 0 FBADRM Cn1cc([C@H](NS(=O)(=O)c2ccc(-n3cnnn3)cc2)C(=O)[O-])cn1 ZINC000548208706 484796267 /nfs/dbraw/zinc/79/62/67/484796267.db2.gz PCLHJTSEWXIDHD-LBPRGKRZSA-N -1 0 363.359 -0.500 20 0 FBADRM Cc1cnn(C[C@H](NS(=O)(=O)c2cc(C(N)=O)n(C)c2)C(=O)[O-])c1 ZINC000548208874 484795994 /nfs/dbraw/zinc/79/59/94/484795994.db2.gz SFOOKKXRIMHMMG-JTQLQIEISA-N -1 0 355.376 -0.939 20 0 FBADRM Cc1cnn(C[C@@H](NS(=O)(=O)c2cc(C(N)=O)n(C)c2)C(=O)[O-])c1 ZINC000548208878 484796470 /nfs/dbraw/zinc/79/64/70/484796470.db2.gz SFOOKKXRIMHMMG-SNVBAGLBSA-N -1 0 355.376 -0.939 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC000548208891 484795947 /nfs/dbraw/zinc/79/59/47/484795947.db2.gz SRXUJQFXFSCSRM-CMPLNLGQSA-N -1 0 367.387 -0.355 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC000548208892 484797725 /nfs/dbraw/zinc/79/77/25/484797725.db2.gz SRXUJQFXFSCSRM-JQWIXIFHSA-N -1 0 367.387 -0.355 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000548208893 484797413 /nfs/dbraw/zinc/79/74/13/484797413.db2.gz SRXUJQFXFSCSRM-PWSUYJOCSA-N -1 0 367.387 -0.355 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000548208894 484797026 /nfs/dbraw/zinc/79/70/26/484797026.db2.gz SRXUJQFXFSCSRM-ZYHUDNBSSA-N -1 0 367.387 -0.355 20 0 FBADRM COc1ccccc1-n1cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cn1 ZINC000548208916 484797788 /nfs/dbraw/zinc/79/77/88/484797788.db2.gz UTLPQSPNRQNBGS-SNVBAGLBSA-N -1 0 368.371 -0.512 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](Cn2cc(C)cn2)C(=O)[O-])cn1C ZINC000548208995 484797193 /nfs/dbraw/zinc/79/71/93/484797193.db2.gz FTSBBTYOIPNAHB-LLVKDONJSA-N -1 0 369.403 -0.679 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](Cn2cc(C)cn2)C(=O)[O-])cn1C ZINC000548208998 484797717 /nfs/dbraw/zinc/79/77/17/484797717.db2.gz FTSBBTYOIPNAHB-NSHDSACASA-N -1 0 369.403 -0.679 20 0 FBADRM COCCn1cc(S(=O)(=O)N[C@H](Cn2cc(C)cn2)C(=O)[O-])cn1 ZINC000548209021 484797688 /nfs/dbraw/zinc/79/76/88/484797688.db2.gz AXJQIEJCZWEAIS-GFCCVEGCSA-N -1 0 357.392 -0.534 20 0 FBADRM COCCn1cc(S(=O)(=O)N[C@@H](Cn2cc(C)cn2)C(=O)[O-])cn1 ZINC000548209024 484797646 /nfs/dbraw/zinc/79/76/46/484797646.db2.gz AXJQIEJCZWEAIS-LBPRGKRZSA-N -1 0 357.392 -0.534 20 0 FBADRM Cn1cc([C@@H](NS(=O)(=O)c2cccc(-n3cnnn3)c2)C(=O)[O-])cn1 ZINC000548209412 484797622 /nfs/dbraw/zinc/79/76/22/484797622.db2.gz JSEJXTLAVVLEIS-GFCCVEGCSA-N -1 0 363.359 -0.500 20 0 FBADRM Cn1cc([C@H](NS(=O)(=O)c2cccc(-n3cnnn3)c2)C(=O)[O-])cn1 ZINC000548209513 484797449 /nfs/dbraw/zinc/79/74/49/484797449.db2.gz JSEJXTLAVVLEIS-LBPRGKRZSA-N -1 0 363.359 -0.500 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000548209622 484797316 /nfs/dbraw/zinc/79/73/16/484797316.db2.gz SFZHJLZDQDFNHQ-GFCCVEGCSA-N -1 0 364.424 -0.926 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000548209623 484797429 /nfs/dbraw/zinc/79/74/29/484797429.db2.gz SFZHJLZDQDFNHQ-LBPRGKRZSA-N -1 0 364.424 -0.926 20 0 FBADRM NC(=O)C[C@@H](NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C(=O)[O-] ZINC000548210402 484797506 /nfs/dbraw/zinc/79/75/06/484797506.db2.gz MPHXROPBLIDAJH-ZCFIWIBFSA-N -1 0 363.735 -0.619 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccccc1Cn1cncn1)C(=O)[O-] ZINC000548210643 484797391 /nfs/dbraw/zinc/79/73/91/484797391.db2.gz VPHFMJHEYBSPIJ-NSHDSACASA-N -1 0 368.371 -0.379 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000548211240 484797082 /nfs/dbraw/zinc/79/70/82/484797082.db2.gz ALRLAZUIRODRID-CYBMUJFWSA-N -1 0 372.399 -0.463 20 0 FBADRM COC[C@H](NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000548211245 484797373 /nfs/dbraw/zinc/79/73/73/484797373.db2.gz ALRLAZUIRODRID-ZDUSSCGKSA-N -1 0 372.399 -0.463 20 0 FBADRM COCCS(=O)(=O)N[C@H](Cc1cn(-c2ccccc2)nn1)C(=O)[O-] ZINC000548211720 484797797 /nfs/dbraw/zinc/79/77/97/484797797.db2.gz HFCXCYOCGNYPFJ-CYBMUJFWSA-N -1 0 354.388 -0.171 20 0 FBADRM COCCS(=O)(=O)N[C@@H](Cc1cn(-c2ccccc2)nn1)C(=O)[O-] ZINC000548211749 484797326 /nfs/dbraw/zinc/79/73/26/484797326.db2.gz HFCXCYOCGNYPFJ-ZDUSSCGKSA-N -1 0 354.388 -0.171 20 0 FBADRM COC[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000548212251 484797181 /nfs/dbraw/zinc/79/71/81/484797181.db2.gz RLLRTPBMDHHZQN-GFCCVEGCSA-N -1 0 370.383 -0.308 20 0 FBADRM COC[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000548212261 484797636 /nfs/dbraw/zinc/79/76/36/484797636.db2.gz RLLRTPBMDHHZQN-LBPRGKRZSA-N -1 0 370.383 -0.308 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])c1 ZINC000548212499 484797382 /nfs/dbraw/zinc/79/73/82/484797382.db2.gz NGDJTUFMDSMFLV-LLVKDONJSA-N -1 0 351.402 -0.142 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H](OC)C(=O)[O-])c1 ZINC000548212500 484797201 /nfs/dbraw/zinc/79/72/01/484797201.db2.gz NGDJTUFMDSMFLV-NSHDSACASA-N -1 0 351.402 -0.142 20 0 FBADRM Cn1cc(C[C@H](CNS(=O)(=O)N2CCOC(C)(C)C2)C(=O)[O-])cn1 ZINC000548214267 484797493 /nfs/dbraw/zinc/79/74/93/484797493.db2.gz RUYXBNXCMBTULZ-GFCCVEGCSA-N -1 0 360.436 -0.391 20 0 FBADRM Cn1cc(C[C@@H](CNS(=O)(=O)N2CCOC(C)(C)C2)C(=O)[O-])cn1 ZINC000548214268 484797778 /nfs/dbraw/zinc/79/77/78/484797778.db2.gz RUYXBNXCMBTULZ-LBPRGKRZSA-N -1 0 360.436 -0.391 20 0 FBADRM CCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])cc1 ZINC000548214999 484796865 /nfs/dbraw/zinc/79/68/65/484796865.db2.gz BRKIAJNNGPDUKU-LLVKDONJSA-N -1 0 351.402 -0.142 20 0 FBADRM CCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](OC)C(=O)[O-])cc1 ZINC000548215000 484797698 /nfs/dbraw/zinc/79/76/98/484797698.db2.gz BRKIAJNNGPDUKU-NSHDSACASA-N -1 0 351.402 -0.142 20 0 FBADRM COC[C@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000548215068 484797240 /nfs/dbraw/zinc/79/72/40/484797240.db2.gz FJPRXGGFUCJCMY-JTQLQIEISA-N -1 0 370.380 -0.425 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000548215069 484797828 /nfs/dbraw/zinc/79/78/28/484797828.db2.gz FJPRXGGFUCJCMY-SNVBAGLBSA-N -1 0 370.380 -0.425 20 0 FBADRM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N[C@@H](COC)C(=O)[O-])ccc2O1 ZINC000548215190 484797061 /nfs/dbraw/zinc/79/70/61/484797061.db2.gz KMSIDLZYJQXJNO-AAEUAGOBSA-N -1 0 373.383 -0.069 20 0 FBADRM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N[C@H](COC)C(=O)[O-])ccc2O1 ZINC000548215191 484797547 /nfs/dbraw/zinc/79/75/47/484797547.db2.gz KMSIDLZYJQXJNO-DGCLKSJQSA-N -1 0 373.383 -0.069 20 0 FBADRM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N[C@@H](COC)C(=O)[O-])ccc2O1 ZINC000548215192 484797783 /nfs/dbraw/zinc/79/77/83/484797783.db2.gz KMSIDLZYJQXJNO-WCQYABFASA-N -1 0 373.383 -0.069 20 0 FBADRM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N[C@H](COC)C(=O)[O-])ccc2O1 ZINC000548215193 484797356 /nfs/dbraw/zinc/79/73/56/484797356.db2.gz KMSIDLZYJQXJNO-YPMHNXCESA-N -1 0 373.383 -0.069 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)cn1 ZINC000548216051 484796982 /nfs/dbraw/zinc/79/69/82/484796982.db2.gz ARHPRDJZRQCHGZ-SECBINFHSA-N -1 0 371.371 -0.920 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)cn1 ZINC000548216052 484797737 /nfs/dbraw/zinc/79/77/37/484797737.db2.gz ARHPRDJZRQCHGZ-VIFPVBQESA-N -1 0 371.371 -0.920 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)[O-] ZINC000548216268 484797729 /nfs/dbraw/zinc/79/77/29/484797729.db2.gz WMDZTWQFHOWIAO-MRVPVSSYSA-N -1 0 366.779 -0.418 20 0 FBADRM COC[C@H](NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)[O-] ZINC000548216271 484797523 /nfs/dbraw/zinc/79/75/23/484797523.db2.gz WMDZTWQFHOWIAO-QMMMGPOBSA-N -1 0 366.779 -0.418 20 0 FBADRM Cn1cc(C[C@@H](CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)C(=O)[O-])cn1 ZINC000548216478 484797610 /nfs/dbraw/zinc/79/76/10/484797610.db2.gz PVFIDYIBKRILQA-JTQLQIEISA-N -1 0 369.403 -0.921 20 0 FBADRM Cn1cc(C[C@H](CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)C(=O)[O-])cn1 ZINC000548216481 484797557 /nfs/dbraw/zinc/79/75/57/484797557.db2.gz PVFIDYIBKRILQA-SNVBAGLBSA-N -1 0 369.403 -0.921 20 0 FBADRM O=C([O-])c1cccc(CNC(=O)NCCNS(=O)(=O)c2c[nH]cn2)c1 ZINC000548217157 484797160 /nfs/dbraw/zinc/79/71/60/484797160.db2.gz MOSNRJVZPJGDRE-UHFFFAOYSA-N -1 0 367.387 -0.114 20 0 FBADRM CCN(C)S(=O)(=O)NCCNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000548217613 484797016 /nfs/dbraw/zinc/79/70/16/484797016.db2.gz SUQBXBQDJBXUJO-UHFFFAOYSA-N -1 0 358.420 -0.030 20 0 FBADRM CC(C)CN(C)S(=O)(=O)N[C@H](CCC(=O)[O-])CN1CCOCC1 ZINC000548217818 484797801 /nfs/dbraw/zinc/79/78/01/484797801.db2.gz QXPVMUNYVKUNNV-CYBMUJFWSA-N -1 0 351.469 -0.026 20 0 FBADRM CC(C)CN(C)S(=O)(=O)N[C@@H](CCC(=O)[O-])CN1CCOCC1 ZINC000548217819 484796996 /nfs/dbraw/zinc/79/69/96/484796996.db2.gz QXPVMUNYVKUNNV-ZDUSSCGKSA-N -1 0 351.469 -0.026 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](Cc2cnn(C)c2)C(=O)[O-])c[nH]1 ZINC000548218392 484797109 /nfs/dbraw/zinc/79/71/09/484797109.db2.gz YKTZVVNOYNIBIO-JTQLQIEISA-N -1 0 370.387 -0.243 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](Cc2cnn(C)c2)C(=O)[O-])c[nH]1 ZINC000548218393 484797809 /nfs/dbraw/zinc/79/78/09/484797809.db2.gz YKTZVVNOYNIBIO-SNVBAGLBSA-N -1 0 370.387 -0.243 20 0 FBADRM Cn1cc(C[C@@H](NS(=O)(=O)c2ccc(C(N)=O)cc2)C(=O)[O-])cn1 ZINC000548218520 484797255 /nfs/dbraw/zinc/79/72/55/484797255.db2.gz LHEXNNFVSQCDJE-GFCCVEGCSA-N -1 0 352.372 -0.507 20 0 FBADRM Cn1cc(C[C@H](NS(=O)(=O)c2ccc(C(N)=O)cc2)C(=O)[O-])cn1 ZINC000548218521 484797307 /nfs/dbraw/zinc/79/73/07/484797307.db2.gz LHEXNNFVSQCDJE-LBPRGKRZSA-N -1 0 352.372 -0.507 20 0 FBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)nc1)C(=O)[O-] ZINC000548219360 484796971 /nfs/dbraw/zinc/79/69/71/484796971.db2.gz HMTCPWYZVXPTQX-SECBINFHSA-N -1 0 360.344 -0.447 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])cc1C(N)=O ZINC000548219835 484797035 /nfs/dbraw/zinc/79/70/35/484797035.db2.gz SPAAOJOOFMJULC-CYBMUJFWSA-N -1 0 366.399 -0.198 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])cc1C(N)=O ZINC000548219837 484797297 /nfs/dbraw/zinc/79/72/97/484797297.db2.gz SPAAOJOOFMJULC-ZDUSSCGKSA-N -1 0 366.399 -0.198 20 0 FBADRM CN1CCc2ccc(S(=O)(=O)N[C@@H](CN3CCOCC3)C(=O)[O-])cc21 ZINC000548220494 484797750 /nfs/dbraw/zinc/79/77/50/484797750.db2.gz FMOOSCLWURAYCI-AWEZNQCLSA-N -1 0 369.443 -0.257 20 0 FBADRM CN1CCc2ccc(S(=O)(=O)N[C@H](CN3CCOCC3)C(=O)[O-])cc21 ZINC000548220501 484797834 /nfs/dbraw/zinc/79/78/34/484797834.db2.gz FMOOSCLWURAYCI-CQSZACIVSA-N -1 0 369.443 -0.257 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)NCc2ccc(C(=O)[O-])c(C)n2)cn1 ZINC000548220593 484797069 /nfs/dbraw/zinc/79/70/69/484797069.db2.gz FQLDLIBSTHCOTN-UHFFFAOYSA-N -1 0 368.371 -0.064 20 0 FBADRM CO[C@H](CNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000548220916 484797769 /nfs/dbraw/zinc/79/77/69/484797769.db2.gz MDONCOYMWQQMRN-GFCCVEGCSA-N -1 0 370.383 -0.308 20 0 FBADRM CO[C@@H](CNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000548220917 484797264 /nfs/dbraw/zinc/79/72/64/484797264.db2.gz MDONCOYMWQQMRN-LBPRGKRZSA-N -1 0 370.383 -0.308 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CCCC[C@@]1(C)C(=O)[O-] ZINC000548221554 484797774 /nfs/dbraw/zinc/79/77/74/484797774.db2.gz XPMUZAUCKKDBGZ-CMPLNLGQSA-N -1 0 356.466 -0.121 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CCCC[C@]1(C)C(=O)[O-] ZINC000548221563 484797641 /nfs/dbraw/zinc/79/76/41/484797641.db2.gz XPMUZAUCKKDBGZ-JQWIXIFHSA-N -1 0 356.466 -0.121 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CCCC[C@]1(C)C(=O)[O-] ZINC000548221564 484797713 /nfs/dbraw/zinc/79/77/13/484797713.db2.gz XPMUZAUCKKDBGZ-PWSUYJOCSA-N -1 0 356.466 -0.121 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CCCC[C@@]1(C)C(=O)[O-] ZINC000548221566 484797341 /nfs/dbraw/zinc/79/73/41/484797341.db2.gz XPMUZAUCKKDBGZ-ZYHUDNBSSA-N -1 0 356.466 -0.121 20 0 FBADRM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000548223356 484797119 /nfs/dbraw/zinc/79/71/19/484797119.db2.gz XVZWLQSXSPTICK-VIFPVBQESA-N -1 0 365.335 -0.265 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)C(=O)[O-] ZINC000548223530 484797211 /nfs/dbraw/zinc/79/72/11/484797211.db2.gz FVIATGIBXXNTIE-SECBINFHSA-N -1 0 370.380 -0.425 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)C(=O)[O-] ZINC000548223531 484797703 /nfs/dbraw/zinc/79/77/03/484797703.db2.gz FVIATGIBXXNTIE-VIFPVBQESA-N -1 0 370.380 -0.425 20 0 FBADRM O=C([O-])C1CCN(C(=O)N2CCN(S(=O)(=O)c3c[nH]cn3)CC2)CC1 ZINC000548223741 484797538 /nfs/dbraw/zinc/79/75/38/484797538.db2.gz IQDARJJASYGEDG-UHFFFAOYSA-N -1 0 371.419 -0.367 20 0 FBADRM O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)NS(=O)(=O)[C@H]1CCOC1 ZINC000548224576 484797821 /nfs/dbraw/zinc/79/78/21/484797821.db2.gz IOIINCCLKDQSGP-KBPBESRZSA-N -1 0 366.399 -0.029 20 0 FBADRM O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)NS(=O)(=O)[C@@H]1CCOC1 ZINC000548224582 484797420 /nfs/dbraw/zinc/79/74/20/484797420.db2.gz IOIINCCLKDQSGP-KGLIPLIRSA-N -1 0 366.399 -0.029 20 0 FBADRM O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)NS(=O)(=O)[C@H]1CCOC1 ZINC000548224583 484797693 /nfs/dbraw/zinc/79/76/93/484797693.db2.gz IOIINCCLKDQSGP-UONOGXRCSA-N -1 0 366.399 -0.029 20 0 FBADRM O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)NS(=O)(=O)[C@@H]1CCOC1 ZINC000548224584 484797628 /nfs/dbraw/zinc/79/76/28/484797628.db2.gz IOIINCCLKDQSGP-ZIAGYGMSSA-N -1 0 366.399 -0.029 20 0 FBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)n(C)c1)C(=O)[O-] ZINC000548224809 484797653 /nfs/dbraw/zinc/79/76/53/484797653.db2.gz MFJNOEDRNXBRTC-SECBINFHSA-N -1 0 362.360 -0.504 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@@H](Cc1cccnc1)C(=O)[O-] ZINC000548224948 484797136 /nfs/dbraw/zinc/79/71/36/484797136.db2.gz INBUJRYSIJGNHW-GFCCVEGCSA-N -1 0 359.404 -0.346 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@H](Cc1cccnc1)C(=O)[O-] ZINC000548224949 484797275 /nfs/dbraw/zinc/79/72/75/484797275.db2.gz INBUJRYSIJGNHW-LBPRGKRZSA-N -1 0 359.404 -0.346 20 0 FBADRM C[C@H](CCC(=O)[O-])CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000548225490 484797761 /nfs/dbraw/zinc/79/77/61/484797761.db2.gz NHKPPPLBZYGWEV-MRVPVSSYSA-N -1 0 370.387 -0.187 20 0 FBADRM C[C@@H](CCC(=O)[O-])CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000548225491 484797665 /nfs/dbraw/zinc/79/76/65/484797665.db2.gz NHKPPPLBZYGWEV-QMMMGPOBSA-N -1 0 370.387 -0.187 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)N2CCN(S(=O)(=O)c3c[nH]cn3)CC2)C1 ZINC000548226622 484796878 /nfs/dbraw/zinc/79/68/78/484796878.db2.gz VGTBHQZTHYLOJE-LLVKDONJSA-N -1 0 371.419 -0.367 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)N2CCN(S(=O)(=O)c3c[nH]cn3)CC2)C1 ZINC000548226623 484797840 /nfs/dbraw/zinc/79/78/40/484797840.db2.gz VGTBHQZTHYLOJE-NSHDSACASA-N -1 0 371.419 -0.367 20 0 FBADRM Cc1cc(C)n(C[C@H](NS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C(=O)[O-])n1 ZINC000548226811 484797401 /nfs/dbraw/zinc/79/74/01/484797401.db2.gz CPLBIVFVIPWBKQ-AVGNSLFASA-N -1 0 360.436 -0.103 20 0 FBADRM Cc1cc(C)n(C[C@@H](NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])n1 ZINC000548226812 484796891 /nfs/dbraw/zinc/79/68/91/484796891.db2.gz CPLBIVFVIPWBKQ-FRRDWIJNSA-N -1 0 360.436 -0.103 20 0 FBADRM Cc1cc(C)n(C[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C(=O)[O-])n1 ZINC000548226813 484798211 /nfs/dbraw/zinc/79/82/11/484798211.db2.gz CPLBIVFVIPWBKQ-UPJWGTAASA-N -1 0 360.436 -0.103 20 0 FBADRM Cc1cc(C)n(C[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])n1 ZINC000548226814 484798673 /nfs/dbraw/zinc/79/86/73/484798673.db2.gz CPLBIVFVIPWBKQ-XQQFMLRXSA-N -1 0 360.436 -0.103 20 0 FBADRM O=C([O-])C1CN(S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000548227000 484798734 /nfs/dbraw/zinc/79/87/34/484798734.db2.gz GNQVUIYHXGSBCT-UHFFFAOYSA-N -1 0 360.413 -0.168 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N(C)C)c1)C(=O)[O-] ZINC000548227165 484798273 /nfs/dbraw/zinc/79/82/73/484798273.db2.gz IVJUUIZNXIGITI-LLVKDONJSA-N -1 0 360.388 -0.225 20 0 FBADRM COC[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N(C)C)c1)C(=O)[O-] ZINC000548227166 484798919 /nfs/dbraw/zinc/79/89/19/484798919.db2.gz IVJUUIZNXIGITI-NSHDSACASA-N -1 0 360.388 -0.225 20 0 FBADRM O=C([O-])c1cccc(CNC(=O)NCCNS(=O)(=O)[C@@H]2CCOC2)c1 ZINC000548228353 484798721 /nfs/dbraw/zinc/79/87/21/484798721.db2.gz DXBUOSMKUBVZNP-CYBMUJFWSA-N -1 0 371.415 -0.108 20 0 FBADRM O=C([O-])c1cccc(CNC(=O)NCCNS(=O)(=O)[C@H]2CCOC2)c1 ZINC000548228354 484798833 /nfs/dbraw/zinc/79/88/33/484798833.db2.gz DXBUOSMKUBVZNP-ZDUSSCGKSA-N -1 0 371.415 -0.108 20 0 FBADRM COC(=O)c1cc(C)ccc1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000548230247 484798663 /nfs/dbraw/zinc/79/86/63/484798663.db2.gz IXMATMSOVOCGHO-UHFFFAOYSA-N -1 0 368.371 -0.064 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000548230468 484798775 /nfs/dbraw/zinc/79/87/75/484798775.db2.gz AMLDRCPBDAJTCV-XRGYYRRGSA-N -1 0 362.747 -0.017 20 0 FBADRM O=C([O-])CN(CCO)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000548230484 484798245 /nfs/dbraw/zinc/79/82/45/484798245.db2.gz BCPOOQJBDCDEHE-AWEZNQCLSA-N -1 0 370.427 0.000 20 0 FBADRM O=C([O-])CN(CCO)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000548230485 484798941 /nfs/dbraw/zinc/79/89/41/484798941.db2.gz BCPOOQJBDCDEHE-CQSZACIVSA-N -1 0 370.427 0.000 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000548230641 484798544 /nfs/dbraw/zinc/79/85/44/484798544.db2.gz CIVKMQZVZVIPNR-MWLCHTKSSA-N -1 0 353.360 -0.914 20 0 FBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1F ZINC000548230732 484798815 /nfs/dbraw/zinc/79/88/15/484798815.db2.gz FWNKYLCIPMMUSA-UHFFFAOYSA-N -1 0 370.380 -0.735 20 0 FBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000548231376 484798468 /nfs/dbraw/zinc/79/84/68/484798468.db2.gz FCFSBDSVBALGCK-UHFFFAOYSA-N -1 0 374.400 -0.755 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-])C1 ZINC000548231523 484798837 /nfs/dbraw/zinc/79/88/37/484798837.db2.gz IJNMOGWGMDMQDD-NEPJUHHUSA-N -1 0 366.436 -0.336 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-])C1 ZINC000548231524 484798930 /nfs/dbraw/zinc/79/89/30/484798930.db2.gz IJNMOGWGMDMQDD-NWDGAFQWSA-N -1 0 366.436 -0.336 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-])C1 ZINC000548231525 484798282 /nfs/dbraw/zinc/79/82/82/484798282.db2.gz IJNMOGWGMDMQDD-RYUDHWBXSA-N -1 0 366.436 -0.336 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-])C1 ZINC000548231526 484798324 /nfs/dbraw/zinc/79/83/24/484798324.db2.gz IJNMOGWGMDMQDD-VXGBXAGGSA-N -1 0 366.436 -0.336 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-])CC1 ZINC000548231659 484798359 /nfs/dbraw/zinc/79/83/59/484798359.db2.gz NYWXBTMUFJYSBB-JTQLQIEISA-N -1 0 352.409 -0.726 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-])CC1 ZINC000548231660 484798432 /nfs/dbraw/zinc/79/84/32/484798432.db2.gz NYWXBTMUFJYSBB-SNVBAGLBSA-N -1 0 352.409 -0.726 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c(C)o1 ZINC000548231922 484798414 /nfs/dbraw/zinc/79/84/14/484798414.db2.gz ZKHCCXJODMFPBF-UHFFFAOYSA-N -1 0 358.332 -0.471 20 0 FBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)N1CCC(C(=O)OCC)CC1)C(=O)[O-] ZINC000548232128 484798351 /nfs/dbraw/zinc/79/83/51/484798351.db2.gz HFDYZDXXXZBLGW-NEPJUHHUSA-N -1 0 366.436 -0.290 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)N1CCC(C(=O)OCC)CC1)C(=O)[O-] ZINC000548232129 484798487 /nfs/dbraw/zinc/79/84/87/484798487.db2.gz HFDYZDXXXZBLGW-NWDGAFQWSA-N -1 0 366.436 -0.290 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)N1CCC(C(=O)OCC)CC1)C(=O)[O-] ZINC000548232130 484798714 /nfs/dbraw/zinc/79/87/14/484798714.db2.gz HFDYZDXXXZBLGW-RYUDHWBXSA-N -1 0 366.436 -0.290 20 0 FBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)N1CCC(C(=O)OCC)CC1)C(=O)[O-] ZINC000548232131 484798335 /nfs/dbraw/zinc/79/83/35/484798335.db2.gz HFDYZDXXXZBLGW-VXGBXAGGSA-N -1 0 366.436 -0.290 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(CCO)CC(=O)[O-])c1 ZINC000548232136 484798875 /nfs/dbraw/zinc/79/88/75/484798875.db2.gz HUAWOWWFCGINST-UHFFFAOYSA-N -1 0 366.417 -0.996 20 0 FBADRM O=C([O-])CN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)N1CCOCC1 ZINC000548233230 484798584 /nfs/dbraw/zinc/79/85/84/484798584.db2.gz LEUAXZFKWMKLQQ-UHFFFAOYSA-N -1 0 372.399 -0.079 20 0 FBADRM COCCN(CCC(=O)[O-])S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000548233236 484798626 /nfs/dbraw/zinc/79/86/26/484798626.db2.gz LMFLYFJFQAWYSH-UHFFFAOYSA-N -1 0 361.420 -0.161 20 0 FBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000548233495 484798864 /nfs/dbraw/zinc/79/88/64/484798864.db2.gz UFYUUECVUZSDRO-JTQLQIEISA-N -1 0 352.390 -0.946 20 0 FBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000548233496 484798292 /nfs/dbraw/zinc/79/82/92/484798292.db2.gz UFYUUECVUZSDRO-SNVBAGLBSA-N -1 0 352.390 -0.946 20 0 FBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000548233511 484798855 /nfs/dbraw/zinc/79/88/55/484798855.db2.gz VTTLAJIKVLYMCH-JTQLQIEISA-N -1 0 357.344 -0.239 20 0 FBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000548233512 484798850 /nfs/dbraw/zinc/79/88/50/484798850.db2.gz VTTLAJIKVLYMCH-SNVBAGLBSA-N -1 0 357.344 -0.239 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cccc(F)c2)c(=O)n(C)c1=O ZINC000548234417 484798299 /nfs/dbraw/zinc/79/82/99/484798299.db2.gz AYAFDMMHKLPEDZ-LLVKDONJSA-N -1 0 371.346 -0.673 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2cccc(F)c2)c(=O)n(C)c1=O ZINC000548234418 484798891 /nfs/dbraw/zinc/79/88/91/484798891.db2.gz AYAFDMMHKLPEDZ-NSHDSACASA-N -1 0 371.346 -0.673 20 0 FBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000548234985 484798972 /nfs/dbraw/zinc/79/89/72/484798972.db2.gz VFLWNUZDIRQZBD-JTQLQIEISA-N -1 0 369.403 -0.277 20 0 FBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000548234986 484798799 /nfs/dbraw/zinc/79/87/99/484798799.db2.gz VFLWNUZDIRQZBD-SNVBAGLBSA-N -1 0 369.403 -0.277 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000548235042 484798950 /nfs/dbraw/zinc/79/89/50/484798950.db2.gz JYDNQRJZTBXHGC-UHFFFAOYSA-N -1 0 351.402 -0.188 20 0 FBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000548236233 484798791 /nfs/dbraw/zinc/79/87/91/484798791.db2.gz SFZQLNFUMWCWHF-DGCLKSJQSA-N -1 0 354.384 -0.639 20 0 FBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000548236635 484798604 /nfs/dbraw/zinc/79/86/04/484798604.db2.gz ZYRVLGVWCZRYMW-SECBINFHSA-N -1 0 366.417 -0.820 20 0 FBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000548236636 484798316 /nfs/dbraw/zinc/79/83/16/484798316.db2.gz ZYRVLGVWCZRYMW-VIFPVBQESA-N -1 0 366.417 -0.820 20 0 FBADRM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N(CCO)CC(=O)[O-])c1 ZINC000548236705 484798365 /nfs/dbraw/zinc/79/83/65/484798365.db2.gz HWFWTOYHMYYFSO-UHFFFAOYSA-N -1 0 365.429 -0.225 20 0 FBADRM Cc1nn2cc(S(=O)(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])cnc2c1Cl ZINC000548236982 484798879 /nfs/dbraw/zinc/79/88/79/484798879.db2.gz QMDOVOWIWCCBDR-VXNVDRBHSA-N -1 0 360.779 -0.100 20 0 FBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000548237300 484798699 /nfs/dbraw/zinc/79/86/99/484798699.db2.gz XIABEUFBYRHNOQ-SECBINFHSA-N -1 0 370.383 -0.241 20 0 FBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000548237301 484798494 /nfs/dbraw/zinc/79/84/94/484798494.db2.gz XIABEUFBYRHNOQ-VIFPVBQESA-N -1 0 370.383 -0.241 20 0 FBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000548237516 484798923 /nfs/dbraw/zinc/79/89/23/484798923.db2.gz LGBNEIURRPJKGQ-GFCCVEGCSA-N -1 0 357.388 -0.403 20 0 FBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000548237517 484798458 /nfs/dbraw/zinc/79/84/58/484798458.db2.gz LGBNEIURRPJKGQ-LBPRGKRZSA-N -1 0 357.388 -0.403 20 0 FBADRM COCCN(CCC(=O)[O-])S(=O)(=O)c1ccc(OC)c(C(N)=O)c1 ZINC000548238163 484798883 /nfs/dbraw/zinc/79/88/83/484798883.db2.gz ZWTGDDDNHVFTEW-UHFFFAOYSA-N -1 0 360.388 -0.094 20 0 FBADRM CCn1c(=O)oc2cc(S(=O)(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])ccc21 ZINC000548238254 484798755 /nfs/dbraw/zinc/79/87/55/484798755.db2.gz DQZUQJHDYVKUPT-LDYMZIIASA-N -1 0 356.356 -0.177 20 0 FBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000548238869 484798637 /nfs/dbraw/zinc/79/86/37/484798637.db2.gz QEDXXIBXYFTBCY-JTQLQIEISA-N -1 0 365.429 -0.064 20 0 FBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000548238870 484798904 /nfs/dbraw/zinc/79/89/04/484798904.db2.gz QEDXXIBXYFTBCY-SNVBAGLBSA-N -1 0 365.429 -0.064 20 0 FBADRM COCCN(CCC(=O)[O-])S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000548239774 484798684 /nfs/dbraw/zinc/79/86/84/484798684.db2.gz FFEZGIOYASZZPB-UHFFFAOYSA-N -1 0 355.376 -0.226 20 0 FBADRM CC1(C)c2cc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])ccc2NC1=O ZINC000548240445 484798235 /nfs/dbraw/zinc/79/82/35/484798235.db2.gz DLYCMTSCHWLSDQ-NSHDSACASA-N -1 0 369.399 -0.087 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000548240534 484798383 /nfs/dbraw/zinc/79/83/83/484798383.db2.gz CIVKMQZVZVIPNR-KOLCDFICSA-N -1 0 353.360 -0.914 20 0 FBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000548240632 484798841 /nfs/dbraw/zinc/79/88/41/484798841.db2.gz KDBXSSSUHSYWCZ-NEPJUHHUSA-N -1 0 365.429 -0.017 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000548240633 484798645 /nfs/dbraw/zinc/79/86/45/484798645.db2.gz KDBXSSSUHSYWCZ-NWDGAFQWSA-N -1 0 365.429 -0.017 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000548240634 484798343 /nfs/dbraw/zinc/79/83/43/484798343.db2.gz KDBXSSSUHSYWCZ-RYUDHWBXSA-N -1 0 365.429 -0.017 20 0 FBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000548240635 484798440 /nfs/dbraw/zinc/79/84/40/484798440.db2.gz KDBXSSSUHSYWCZ-VXGBXAGGSA-N -1 0 365.429 -0.017 20 0 FBADRM CCC(=O)C[C@@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-] ZINC000548240855 484798504 /nfs/dbraw/zinc/79/85/04/484798504.db2.gz CXXNEAUVAWEVPM-LLVKDONJSA-N -1 0 350.393 -0.472 20 0 FBADRM CCC(=O)C[C@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-] ZINC000548240856 484798859 /nfs/dbraw/zinc/79/88/59/484798859.db2.gz CXXNEAUVAWEVPM-NSHDSACASA-N -1 0 350.393 -0.472 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000548241064 484798373 /nfs/dbraw/zinc/79/83/73/484798373.db2.gz MKBCQGNIHMJZLY-UHFFFAOYSA-N -1 0 356.466 -0.168 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000548241342 484798390 /nfs/dbraw/zinc/79/83/90/484798390.db2.gz PSLMINVITFHERL-UHFFFAOYSA-N -1 0 365.429 -0.047 20 0 FBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000548241695 484798692 /nfs/dbraw/zinc/79/86/92/484798692.db2.gz SXVLFLHLYKJKFK-SECBINFHSA-N -1 0 351.402 -0.190 20 0 FBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000548241696 484798955 /nfs/dbraw/zinc/79/89/55/484798955.db2.gz SXVLFLHLYKJKFK-VIFPVBQESA-N -1 0 351.402 -0.190 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cs1 ZINC000548241875 484798861 /nfs/dbraw/zinc/79/88/61/484798861.db2.gz SDFVZFCKDSORQC-UHFFFAOYSA-N -1 0 360.373 -0.311 20 0 FBADRM Cn1ncnc1COc1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1 ZINC000548242318 484798221 /nfs/dbraw/zinc/79/82/21/484798221.db2.gz YADPZLPQYUYBDK-UHFFFAOYSA-N -1 0 370.387 -0.538 20 0 FBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000548242406 484798901 /nfs/dbraw/zinc/79/89/01/484798901.db2.gz ZKMVDOPSPOXAGF-JTQLQIEISA-N -1 0 369.392 -0.051 20 0 FBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000548242421 484798927 /nfs/dbraw/zinc/79/89/27/484798927.db2.gz ZKMVDOPSPOXAGF-SNVBAGLBSA-N -1 0 369.392 -0.051 20 0 FBADRM O=C([O-])CN(CCO)S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000548242515 484798742 /nfs/dbraw/zinc/79/87/42/484798742.db2.gz FFFXZBRODHVCFH-UHFFFAOYSA-N -1 0 354.384 -0.411 20 0 FBADRM CCc1noc2ncc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cc12 ZINC000548243854 484798677 /nfs/dbraw/zinc/79/86/77/484798677.db2.gz XXFOOMNQADBPFA-JTQLQIEISA-N -1 0 356.360 -0.218 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000548243969 484798655 /nfs/dbraw/zinc/79/86/55/484798655.db2.gz ZHSSVQDNDLIOEK-UHFFFAOYSA-N -1 0 355.376 -0.401 20 0 FBADRM CC1CCN(S(=O)(=O)N2CC[C@@H](N3C[C@H](C(=O)[O-])CC3=O)C2)CC1 ZINC000548244297 484798959 /nfs/dbraw/zinc/79/89/59/484798959.db2.gz KVJJIZZZPGRNTO-CHWSQXEVSA-N -1 0 359.448 -0.030 20 0 FBADRM CC1CCN(S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)[O-])CC3=O)C2)CC1 ZINC000548244298 484798977 /nfs/dbraw/zinc/79/89/77/484798977.db2.gz KVJJIZZZPGRNTO-OLZOCXBDSA-N -1 0 359.448 -0.030 20 0 FBADRM CC1CCN(S(=O)(=O)N2CC[C@@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)CC1 ZINC000548244299 484798523 /nfs/dbraw/zinc/79/85/23/484798523.db2.gz KVJJIZZZPGRNTO-QWHCGFSZSA-N -1 0 359.448 -0.030 20 0 FBADRM CC1CCN(S(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)CC1 ZINC000548244300 484798946 /nfs/dbraw/zinc/79/89/46/484798946.db2.gz KVJJIZZZPGRNTO-STQMWFEESA-N -1 0 359.448 -0.030 20 0 FBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000548244659 484798448 /nfs/dbraw/zinc/79/84/48/484798448.db2.gz RAIVBJGZDIRPBP-SECBINFHSA-N -1 0 366.417 -0.556 20 0 FBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000548244660 484798916 /nfs/dbraw/zinc/79/89/16/484798916.db2.gz RAIVBJGZDIRPBP-VIFPVBQESA-N -1 0 366.417 -0.556 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)cn1C ZINC000548244888 484798887 /nfs/dbraw/zinc/79/88/87/484798887.db2.gz WPERIXUGBUXACA-PSASIEDQSA-N -1 0 373.387 -0.849 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)cn1C ZINC000548244889 484798782 /nfs/dbraw/zinc/79/87/82/484798782.db2.gz WPERIXUGBUXACA-SCZZXKLOSA-N -1 0 373.387 -0.849 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)cn1C ZINC000548244890 484798938 /nfs/dbraw/zinc/79/89/38/484798938.db2.gz WPERIXUGBUXACA-WCBMZHEXSA-N -1 0 373.387 -0.849 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)cn1C ZINC000548244891 484798897 /nfs/dbraw/zinc/79/88/97/484798897.db2.gz WPERIXUGBUXACA-WPRPVWTQSA-N -1 0 373.387 -0.849 20 0 FBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000548245431 484798612 /nfs/dbraw/zinc/79/86/12/484798612.db2.gz PTWXLFXGPNPWLB-LLVKDONJSA-N -1 0 361.397 -0.510 20 0 FBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000548245432 484798808 /nfs/dbraw/zinc/79/88/08/484798808.db2.gz PTWXLFXGPNPWLB-NSHDSACASA-N -1 0 361.397 -0.510 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000548246203 484798749 /nfs/dbraw/zinc/79/87/49/484798749.db2.gz DJCYQILPLPCSPL-GMTAPVOTSA-N -1 0 362.404 -0.867 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000548246204 484798934 /nfs/dbraw/zinc/79/89/34/484798934.db2.gz DJCYQILPLPCSPL-MXWKQRLJSA-N -1 0 362.404 -0.867 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000548246205 484798555 /nfs/dbraw/zinc/79/85/55/484798555.db2.gz DJCYQILPLPCSPL-OUAUKWLOSA-N -1 0 362.404 -0.867 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000548246206 484798195 /nfs/dbraw/zinc/79/81/95/484798195.db2.gz DJCYQILPLPCSPL-VWYCJHECSA-N -1 0 362.404 -0.867 20 0 FBADRM CCOC(=O)CCS(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000548247188 484798564 /nfs/dbraw/zinc/79/85/64/484798564.db2.gz BXWXVHSDNYPPLG-GHMZBOCLSA-N -1 0 362.404 -0.723 20 0 FBADRM CCOC(=O)CCS(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000548247191 484798260 /nfs/dbraw/zinc/79/82/60/484798260.db2.gz BXWXVHSDNYPPLG-MNOVXSKESA-N -1 0 362.404 -0.723 20 0 FBADRM CCOC(=O)CCS(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000548247192 484798574 /nfs/dbraw/zinc/79/85/74/484798574.db2.gz BXWXVHSDNYPPLG-QWRGUYRKSA-N -1 0 362.404 -0.723 20 0 FBADRM CCOC(=O)CCS(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000548247193 484798827 /nfs/dbraw/zinc/79/88/27/484798827.db2.gz BXWXVHSDNYPPLG-WDEREUQCSA-N -1 0 362.404 -0.723 20 0 FBADRM C[C@H](C1CC1)N(C)S(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000548247202 484798594 /nfs/dbraw/zinc/79/85/94/484798594.db2.gz CHSALVVGOBHGPX-KGYLQXTDSA-N -1 0 359.448 -0.031 20 0 FBADRM C[C@H](C1CC1)N(C)S(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000548247203 484799435 /nfs/dbraw/zinc/79/94/35/484799435.db2.gz CHSALVVGOBHGPX-RAIGVLPGSA-N -1 0 359.448 -0.031 20 0 FBADRM C[C@H](C1CC1)N(C)S(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000548247204 484800061 /nfs/dbraw/zinc/80/00/61/484800061.db2.gz CHSALVVGOBHGPX-RTXFEEFZSA-N -1 0 359.448 -0.031 20 0 FBADRM C[C@H](C1CC1)N(C)S(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000548247205 484799322 /nfs/dbraw/zinc/79/93/22/484799322.db2.gz CHSALVVGOBHGPX-WXHSDQCUSA-N -1 0 359.448 -0.031 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)CC3CCOCC3)C2)C1 ZINC000548247385 484800192 /nfs/dbraw/zinc/80/01/92/484800192.db2.gz ALTJMUZAXLNJAF-CHWSQXEVSA-N -1 0 360.432 -0.250 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)CC3CCOCC3)C2)C1 ZINC000548247390 484799292 /nfs/dbraw/zinc/79/92/92/484799292.db2.gz ALTJMUZAXLNJAF-OLZOCXBDSA-N -1 0 360.432 -0.250 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)CC3CCOCC3)C2)C1 ZINC000548247391 484799778 /nfs/dbraw/zinc/79/97/78/484799778.db2.gz ALTJMUZAXLNJAF-QWHCGFSZSA-N -1 0 360.432 -0.250 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)CC3CCOCC3)C2)C1 ZINC000548247392 484799463 /nfs/dbraw/zinc/79/94/63/484799463.db2.gz ALTJMUZAXLNJAF-STQMWFEESA-N -1 0 360.432 -0.250 20 0 FBADRM C[C@@H](C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000548248631 484799472 /nfs/dbraw/zinc/79/94/72/484799472.db2.gz IRVGUKTZNHDGKK-BQBZGAKWSA-N -1 0 353.340 -0.159 20 0 FBADRM C[C@@H](C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000548248632 484799604 /nfs/dbraw/zinc/79/96/04/484799604.db2.gz IRVGUKTZNHDGKK-NKWVEPMBSA-N -1 0 353.340 -0.159 20 0 FBADRM C[C@H](C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000548248633 484799734 /nfs/dbraw/zinc/79/97/34/484799734.db2.gz IRVGUKTZNHDGKK-RNFRBKRXSA-N -1 0 353.340 -0.159 20 0 FBADRM C[C@H](C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000548248634 484800120 /nfs/dbraw/zinc/80/01/20/484800120.db2.gz IRVGUKTZNHDGKK-RQJHMYQMSA-N -1 0 353.340 -0.159 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000548250393 484800109 /nfs/dbraw/zinc/80/01/09/484800109.db2.gz XHDMLRUZZOMJKP-LBPRGKRZSA-N -1 0 360.388 -0.283 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000548250483 484799789 /nfs/dbraw/zinc/79/97/89/484799789.db2.gz ZPLWCBPTXGSDIK-LBPRGKRZSA-N -1 0 365.429 -0.258 20 0 FBADRM Cc1cnc(N)c(S(=O)(=O)N2CC[C@@H](N3C[C@H](C(=O)[O-])CC3=O)C2)c1 ZINC000548250779 484800171 /nfs/dbraw/zinc/80/01/71/484800171.db2.gz YYUIXHOIOMJVEM-GHMZBOCLSA-N -1 0 368.415 -0.332 20 0 FBADRM Cc1cnc(N)c(S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)[O-])CC3=O)C2)c1 ZINC000548250781 484800203 /nfs/dbraw/zinc/80/02/03/484800203.db2.gz YYUIXHOIOMJVEM-MNOVXSKESA-N -1 0 368.415 -0.332 20 0 FBADRM Cc1cnc(N)c(S(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)c1 ZINC000548250784 484799860 /nfs/dbraw/zinc/79/98/60/484799860.db2.gz YYUIXHOIOMJVEM-QWRGUYRKSA-N -1 0 368.415 -0.332 20 0 FBADRM Cc1cnc(N)c(S(=O)(=O)N2CC[C@@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)c1 ZINC000548250786 484799995 /nfs/dbraw/zinc/79/99/95/484799995.db2.gz YYUIXHOIOMJVEM-WDEREUQCSA-N -1 0 368.415 -0.332 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])c1 ZINC000548255371 484799655 /nfs/dbraw/zinc/79/96/55/484799655.db2.gz SKZYBFNXBOQUPQ-HXNGOWOSSA-N -1 0 351.358 -0.728 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])c1 ZINC000548255372 484799521 /nfs/dbraw/zinc/79/95/21/484799521.db2.gz SKZYBFNXBOQUPQ-IJSAXESFSA-N -1 0 351.358 -0.728 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])c1 ZINC000548255373 484799915 /nfs/dbraw/zinc/79/99/15/484799915.db2.gz SKZYBFNXBOQUPQ-PPRQPISWSA-N -1 0 351.358 -0.728 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])c1 ZINC000548255374 484799541 /nfs/dbraw/zinc/79/95/41/484799541.db2.gz SKZYBFNXBOQUPQ-ZEDNOMKYSA-N -1 0 351.358 -0.728 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)cn1 ZINC000548256531 484799620 /nfs/dbraw/zinc/79/96/20/484799620.db2.gz LOIAZHVOWGFOGR-JTQLQIEISA-N -1 0 356.404 -0.494 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)cn1 ZINC000548256532 484799670 /nfs/dbraw/zinc/79/96/70/484799670.db2.gz LOIAZHVOWGFOGR-SNVBAGLBSA-N -1 0 356.404 -0.494 20 0 FBADRM CCn1cncc1S(=O)(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000548256665 484800000 /nfs/dbraw/zinc/80/00/00/484800000.db2.gz ZZOJAEJZGHTDGO-LLVKDONJSA-N -1 0 370.431 -0.011 20 0 FBADRM CCn1cncc1S(=O)(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000548256666 484800019 /nfs/dbraw/zinc/80/00/19/484800019.db2.gz ZZOJAEJZGHTDGO-NSHDSACASA-N -1 0 370.431 -0.011 20 0 FBADRM Cn1cnc2cc(S(=O)(=O)N3CCS(=O)(=O)C[C@@H]3C(=O)[O-])ccc21 ZINC000548256928 484799550 /nfs/dbraw/zinc/79/95/50/484799550.db2.gz JEARETQZKAHCIG-GFCCVEGCSA-N -1 0 373.412 -0.554 20 0 FBADRM Cn1cnc2cc(S(=O)(=O)N3CCS(=O)(=O)C[C@H]3C(=O)[O-])ccc21 ZINC000548256929 484800087 /nfs/dbraw/zinc/80/00/87/484800087.db2.gz JEARETQZKAHCIG-LBPRGKRZSA-N -1 0 373.412 -0.554 20 0 FBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000548257174 484799725 /nfs/dbraw/zinc/79/97/25/484799725.db2.gz PWXDIJHVBVFSLF-KPWVOAKYSA-N -1 0 358.397 -0.613 20 0 FBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000548257175 484800199 /nfs/dbraw/zinc/80/01/99/484800199.db2.gz PWXDIJHVBVFSLF-RKFFSXRUSA-N -1 0 358.397 -0.613 20 0 FBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000548257176 484799969 /nfs/dbraw/zinc/79/99/69/484799969.db2.gz PWXDIJHVBVFSLF-SAHAZLINSA-N -1 0 358.397 -0.613 20 0 FBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000548257177 484799771 /nfs/dbraw/zinc/79/97/71/484799771.db2.gz PWXDIJHVBVFSLF-XFNZEKPQSA-N -1 0 358.397 -0.613 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(F)c(F)c1F ZINC000548257630 484799511 /nfs/dbraw/zinc/79/95/11/484799511.db2.gz AKARAXRQPIVCRD-SSDOTTSWSA-N -1 0 373.330 -0.024 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(F)c(F)c1F ZINC000548257631 484799740 /nfs/dbraw/zinc/79/97/40/484799740.db2.gz AKARAXRQPIVCRD-ZETCQYMHSA-N -1 0 373.330 -0.024 20 0 FBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000548257826 484800215 /nfs/dbraw/zinc/80/02/15/484800215.db2.gz XJAXWBNCSHFVJO-DAOPMYJZSA-N -1 0 370.408 -0.266 20 0 FBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000548257827 484800149 /nfs/dbraw/zinc/80/01/49/484800149.db2.gz XJAXWBNCSHFVJO-MYODQAERSA-N -1 0 370.408 -0.266 20 0 FBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000548257828 484799934 /nfs/dbraw/zinc/79/99/34/484799934.db2.gz XJAXWBNCSHFVJO-SFDCACGMSA-N -1 0 370.408 -0.266 20 0 FBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000548257829 484799756 /nfs/dbraw/zinc/79/97/56/484799756.db2.gz XJAXWBNCSHFVJO-SPSFWMDKSA-N -1 0 370.408 -0.266 20 0 FBADRM CN1C(=O)Cc2cc(S(=O)(=O)N3CC[S@@](=O)C[C@H]3C(=O)[O-])ccc21 ZINC000548257860 484799982 /nfs/dbraw/zinc/79/99/82/484799982.db2.gz AFQAPMULLQULEP-DAOPMYJZSA-N -1 0 372.424 -0.588 20 0 FBADRM CN1C(=O)Cc2cc(S(=O)(=O)N3CC[S@](=O)C[C@H]3C(=O)[O-])ccc21 ZINC000548257861 484799953 /nfs/dbraw/zinc/79/99/53/484799953.db2.gz AFQAPMULLQULEP-MYODQAERSA-N -1 0 372.424 -0.588 20 0 FBADRM CN1C(=O)Cc2cc(S(=O)(=O)N3CC[S@@](=O)C[C@@H]3C(=O)[O-])ccc21 ZINC000548257862 484799833 /nfs/dbraw/zinc/79/98/33/484799833.db2.gz AFQAPMULLQULEP-SFDCACGMSA-N -1 0 372.424 -0.588 20 0 FBADRM CN1C(=O)Cc2cc(S(=O)(=O)N3CC[S@](=O)C[C@@H]3C(=O)[O-])ccc21 ZINC000548257863 484799426 /nfs/dbraw/zinc/79/94/26/484799426.db2.gz AFQAPMULLQULEP-SPSFWMDKSA-N -1 0 372.424 -0.588 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])oc1C ZINC000548257884 484800158 /nfs/dbraw/zinc/80/01/58/484800158.db2.gz DINBHBSYVKGWOZ-AUADJRAKSA-N -1 0 365.385 -0.419 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])oc1C ZINC000548257885 484799843 /nfs/dbraw/zinc/79/98/43/484799843.db2.gz DINBHBSYVKGWOZ-CLTRCRFRSA-N -1 0 365.385 -0.419 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])oc1C ZINC000548257886 484800028 /nfs/dbraw/zinc/80/00/28/484800028.db2.gz DINBHBSYVKGWOZ-GTUYJWLHSA-N -1 0 365.385 -0.419 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])oc1C ZINC000548257887 484799493 /nfs/dbraw/zinc/79/94/93/484799493.db2.gz DINBHBSYVKGWOZ-PVBMHHQDSA-N -1 0 365.385 -0.419 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(F)c1F ZINC000548257989 484799823 /nfs/dbraw/zinc/79/98/23/484799823.db2.gz HYADABZCQWVEQO-MRVPVSSYSA-N -1 0 355.340 -0.163 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(F)c1F ZINC000548257990 484799364 /nfs/dbraw/zinc/79/93/64/484799364.db2.gz HYADABZCQWVEQO-QMMMGPOBSA-N -1 0 355.340 -0.163 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccc(F)cc1F ZINC000548258235 484800165 /nfs/dbraw/zinc/80/01/65/484800165.db2.gz SBTYRDYJYUGTMH-LLVKDONJSA-N -1 0 369.367 -0.022 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccc(F)cc1F ZINC000548258236 484800052 /nfs/dbraw/zinc/80/00/52/484800052.db2.gz SBTYRDYJYUGTMH-NSHDSACASA-N -1 0 369.367 -0.022 20 0 FBADRM COc1cc(OC)cc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])c1 ZINC000548258855 484799635 /nfs/dbraw/zinc/79/96/35/484799635.db2.gz NDMQVETUPYOUDL-AMXDTQDGSA-N -1 0 363.413 -0.090 20 0 FBADRM COc1cc(OC)cc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])c1 ZINC000548258856 484800177 /nfs/dbraw/zinc/80/01/77/484800177.db2.gz NDMQVETUPYOUDL-IPQOISQHSA-N -1 0 363.413 -0.090 20 0 FBADRM COc1cc(OC)cc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])c1 ZINC000548258858 484799974 /nfs/dbraw/zinc/79/99/74/484799974.db2.gz NDMQVETUPYOUDL-VERVWZFWSA-N -1 0 363.413 -0.090 20 0 FBADRM COc1cc(OC)cc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])c1 ZINC000548258859 484799648 /nfs/dbraw/zinc/79/96/48/484799648.db2.gz NDMQVETUPYOUDL-YTEVENLXSA-N -1 0 363.413 -0.090 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])cc1C(N)=O ZINC000548258915 484799502 /nfs/dbraw/zinc/79/95/02/484799502.db2.gz VBXYXKGEUZMIEG-KPWVOAKYSA-N -1 0 360.413 -0.700 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])cc1C(N)=O ZINC000548258916 484799416 /nfs/dbraw/zinc/79/94/16/484799416.db2.gz VBXYXKGEUZMIEG-RKFFSXRUSA-N -1 0 360.413 -0.700 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])cc1C(N)=O ZINC000548258917 484799900 /nfs/dbraw/zinc/79/99/00/484799900.db2.gz VBXYXKGEUZMIEG-SAHAZLINSA-N -1 0 360.413 -0.700 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])cc1C(N)=O ZINC000548258918 484799815 /nfs/dbraw/zinc/79/98/15/484799815.db2.gz VBXYXKGEUZMIEG-XFNZEKPQSA-N -1 0 360.413 -0.700 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])cc1 ZINC000548258944 484799748 /nfs/dbraw/zinc/79/97/48/484799748.db2.gz YKZNTFLQBYTAMG-KPWVOAKYSA-N -1 0 361.397 -0.321 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])cc1 ZINC000548258945 484799613 /nfs/dbraw/zinc/79/96/13/484799613.db2.gz YKZNTFLQBYTAMG-RKFFSXRUSA-N -1 0 361.397 -0.321 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])cc1 ZINC000548258946 484800141 /nfs/dbraw/zinc/80/01/41/484800141.db2.gz YKZNTFLQBYTAMG-SAHAZLINSA-N -1 0 361.397 -0.321 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])cc1 ZINC000548258947 484799394 /nfs/dbraw/zinc/79/93/94/484799394.db2.gz YKZNTFLQBYTAMG-XFNZEKPQSA-N -1 0 361.397 -0.321 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])s1 ZINC000548258960 484799943 /nfs/dbraw/zinc/79/99/43/484799943.db2.gz VIWNWNSTVHNZFX-MWAODPMSSA-N -1 0 367.426 -0.259 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])s1 ZINC000548258962 484799852 /nfs/dbraw/zinc/79/98/52/484799852.db2.gz VIWNWNSTVHNZFX-QFWYVNQISA-N -1 0 367.426 -0.259 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])s1 ZINC000548258963 484799987 /nfs/dbraw/zinc/79/99/87/484799987.db2.gz VIWNWNSTVHNZFX-SGWXMTNESA-N -1 0 367.426 -0.259 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])s1 ZINC000548258964 484799334 /nfs/dbraw/zinc/79/93/34/484799334.db2.gz VIWNWNSTVHNZFX-WODJRTHDSA-N -1 0 367.426 -0.259 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1C(=O)NCC(F)(F)F ZINC000548259764 484800126 /nfs/dbraw/zinc/80/01/26/484800126.db2.gz AEZYGHWHDXYYEJ-QMMMGPOBSA-N -1 0 373.309 -0.959 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)NCCOCC(=O)[O-])cc1F ZINC000548261447 484800669 /nfs/dbraw/zinc/80/06/69/484800669.db2.gz OZUOILKRKLTHQD-UHFFFAOYSA-N -1 0 355.365 -0.391 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@H](Cc1ccco1)C(=O)[O-] ZINC000548261476 484801043 /nfs/dbraw/zinc/80/10/43/484801043.db2.gz QKRRFQDPSQJAAO-GFCCVEGCSA-N -1 0 350.393 -0.296 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@@H](Cc1ccco1)C(=O)[O-] ZINC000548261477 484801423 /nfs/dbraw/zinc/80/14/23/484801423.db2.gz QKRRFQDPSQJAAO-LBPRGKRZSA-N -1 0 350.393 -0.296 20 0 FBADRM CCC(=O)C[C@@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000548261509 484801296 /nfs/dbraw/zinc/80/12/96/484801296.db2.gz RXPVYLQEJNGBML-LLVKDONJSA-N -1 0 364.401 -0.565 20 0 FBADRM CCC(=O)C[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000548261710 484801564 /nfs/dbraw/zinc/80/15/64/484801564.db2.gz RXPVYLQEJNGBML-NSHDSACASA-N -1 0 364.401 -0.565 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c(C)c1 ZINC000548261886 484801103 /nfs/dbraw/zinc/80/11/03/484801103.db2.gz ADRJJOAOEJKCGA-UHFFFAOYSA-N -1 0 368.371 -0.064 20 0 FBADRM O=C([O-])COCCNS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000548262086 484800946 /nfs/dbraw/zinc/80/09/46/484800946.db2.gz MNVSUVABRFRXQP-UHFFFAOYSA-N -1 0 354.384 -0.099 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccsc2)c(=O)n(C)c1=O ZINC000548262120 484801266 /nfs/dbraw/zinc/80/12/66/484801266.db2.gz ZPJGEMDXZGUTOO-SECBINFHSA-N -1 0 359.385 -0.750 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccsc2)c(=O)n(C)c1=O ZINC000548262128 484800968 /nfs/dbraw/zinc/80/09/68/484800968.db2.gz ZPJGEMDXZGUTOO-VIFPVBQESA-N -1 0 359.385 -0.750 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@H](CC(=O)CC)C(=O)[O-])C1 ZINC000548263162 484801617 /nfs/dbraw/zinc/80/16/17/484801617.db2.gz HXAMPALKTCYIKS-CMPLNLGQSA-N -1 0 364.420 -0.082 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H](CC(=O)CC)C(=O)[O-])C1 ZINC000548263163 484801377 /nfs/dbraw/zinc/80/13/77/484801377.db2.gz HXAMPALKTCYIKS-JQWIXIFHSA-N -1 0 364.420 -0.082 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](CC(=O)CC)C(=O)[O-])C1 ZINC000548263164 484800462 /nfs/dbraw/zinc/80/04/62/484800462.db2.gz HXAMPALKTCYIKS-PWSUYJOCSA-N -1 0 364.420 -0.082 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](CC(=O)CC)C(=O)[O-])C1 ZINC000548263165 484800661 /nfs/dbraw/zinc/80/06/61/484800661.db2.gz HXAMPALKTCYIKS-ZYHUDNBSSA-N -1 0 364.420 -0.082 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C2CCOCC2)cn1C ZINC000548263555 484801633 /nfs/dbraw/zinc/80/16/33/484801633.db2.gz CNFUQWARESIAMT-GFCCVEGCSA-N -1 0 373.431 -0.067 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CCOCC2)cn1C ZINC000548263556 484801586 /nfs/dbraw/zinc/80/15/86/484801586.db2.gz CNFUQWARESIAMT-LBPRGKRZSA-N -1 0 373.431 -0.067 20 0 FBADRM CC(C)[C@@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000548263759 484800756 /nfs/dbraw/zinc/80/07/56/484800756.db2.gz ZLUSZMKTVGPQNM-LLVKDONJSA-N -1 0 350.418 -0.031 20 0 FBADRM CC(C)[C@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000548263768 484800439 /nfs/dbraw/zinc/80/04/39/484800439.db2.gz ZLUSZMKTVGPQNM-NSHDSACASA-N -1 0 350.418 -0.031 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@H](CC(=O)[O-])C1CCOCC1 ZINC000548263892 484801731 /nfs/dbraw/zinc/80/17/31/484801731.db2.gz GGFCSDLWVPWPME-CYBMUJFWSA-N -1 0 368.452 -0.315 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CCOCC1 ZINC000548263894 484800585 /nfs/dbraw/zinc/80/05/85/484800585.db2.gz GGFCSDLWVPWPME-ZDUSSCGKSA-N -1 0 368.452 -0.315 20 0 FBADRM CCC(=O)C[C@@H](NS(=O)(=O)c1cccc(-c2nnnn2C)c1)C(=O)[O-] ZINC000548264078 484800924 /nfs/dbraw/zinc/80/09/24/484800924.db2.gz MVKYKKUIACKGQK-GFCCVEGCSA-N -1 0 367.387 -0.022 20 0 FBADRM CCC(=O)C[C@H](NS(=O)(=O)c1cccc(-c2nnnn2C)c1)C(=O)[O-] ZINC000548264079 484801257 /nfs/dbraw/zinc/80/12/57/484801257.db2.gz MVKYKKUIACKGQK-LBPRGKRZSA-N -1 0 367.387 -0.022 20 0 FBADRM COC(=O)Cc1ccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)s1 ZINC000548264290 484801510 /nfs/dbraw/zinc/80/15/10/484801510.db2.gz JYGHJPBDTVWAJG-UHFFFAOYSA-N -1 0 374.400 -0.382 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cn1 ZINC000548265178 484800410 /nfs/dbraw/zinc/80/04/10/484800410.db2.gz WVWOZTBYECCKER-UHFFFAOYSA-N -1 0 355.332 -0.977 20 0 FBADRM CCC(=O)C[C@@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-] ZINC000548265299 484800446 /nfs/dbraw/zinc/80/04/46/484800446.db2.gz ZKAKRPITWLOFFV-GFCCVEGCSA-N -1 0 353.360 -0.237 20 0 FBADRM CCC(=O)C[C@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-] ZINC000548265300 484801456 /nfs/dbraw/zinc/80/14/56/484801456.db2.gz ZKAKRPITWLOFFV-LBPRGKRZSA-N -1 0 353.360 -0.237 20 0 FBADRM COC(=O)Cc1ccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cc1 ZINC000548265510 484801431 /nfs/dbraw/zinc/80/14/31/484801431.db2.gz DGOULFQZJFYQPL-UHFFFAOYSA-N -1 0 368.371 -0.443 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cc1C ZINC000548266840 484801250 /nfs/dbraw/zinc/80/12/50/484801250.db2.gz IWAUOCKRAWZMTJ-UHFFFAOYSA-N -1 0 368.371 -0.064 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)NCCSCC(=O)[O-])c1 ZINC000548267018 484800424 /nfs/dbraw/zinc/80/04/24/484800424.db2.gz OYQFHMRPGWJBHP-UHFFFAOYSA-N -1 0 357.417 -0.027 20 0 FBADRM O=C([O-])Cn1cc(CNS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)nn1 ZINC000548267973 484801499 /nfs/dbraw/zinc/80/14/99/484801499.db2.gz FEAHRMUTWYUEJJ-UHFFFAOYSA-N -1 0 363.355 -0.317 20 0 FBADRM CCC(=O)C[C@@H](NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)C(=O)[O-] ZINC000548269412 484801475 /nfs/dbraw/zinc/80/14/75/484801475.db2.gz ZUPRABLWUBRTAI-LLVKDONJSA-N -1 0 359.404 -0.172 20 0 FBADRM CCC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)C(=O)[O-] ZINC000548269414 484801559 /nfs/dbraw/zinc/80/15/59/484801559.db2.gz ZUPRABLWUBRTAI-NSHDSACASA-N -1 0 359.404 -0.172 20 0 FBADRM CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(OC)n(C)n1 ZINC000548282813 484362733 /nfs/dbraw/zinc/36/27/33/484362733.db2.gz CXEZCPZBDUPNRC-UHFFFAOYSA-N -1 0 374.444 0.528 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-] ZINC000548356191 484803859 /nfs/dbraw/zinc/80/38/59/484803859.db2.gz MWSQNENWEQOSPF-LLVKDONJSA-N -1 0 352.390 -0.319 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-] ZINC000548356192 484804027 /nfs/dbraw/zinc/80/40/27/484804027.db2.gz MWSQNENWEQOSPF-NSHDSACASA-N -1 0 352.390 -0.319 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-] ZINC000548357019 484804784 /nfs/dbraw/zinc/80/47/84/484804784.db2.gz RDEXEFLGKOXUCY-GWCFXTLKSA-N -1 0 352.409 -0.678 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-] ZINC000548357023 484804677 /nfs/dbraw/zinc/80/46/77/484804677.db2.gz RDEXEFLGKOXUCY-GXFFZTMASA-N -1 0 352.409 -0.678 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-] ZINC000548357024 484803673 /nfs/dbraw/zinc/80/36/73/484803673.db2.gz RDEXEFLGKOXUCY-MFKMUULPSA-N -1 0 352.409 -0.678 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-] ZINC000548357026 484804758 /nfs/dbraw/zinc/80/47/58/484804758.db2.gz RDEXEFLGKOXUCY-ZWNOBZJWSA-N -1 0 352.409 -0.678 20 0 FBADRM CCO[C@H]1C[C@](NS(=O)(=O)N(C)CCC(=O)OC)(C(=O)[O-])C1(C)C ZINC000548357064 484804214 /nfs/dbraw/zinc/80/42/14/484804214.db2.gz PMMMIAQZDGGALQ-HZMBPMFUSA-N -1 0 366.436 -0.026 20 0 FBADRM CCO[C@H]1C[C@@](NS(=O)(=O)N(C)CCC(=O)OC)(C(=O)[O-])C1(C)C ZINC000548357065 484804113 /nfs/dbraw/zinc/80/41/13/484804113.db2.gz PMMMIAQZDGGALQ-IINYFYTJSA-N -1 0 366.436 -0.026 20 0 FBADRM CCO[C@@H]1C[C@@](NS(=O)(=O)N(C)CCC(=O)OC)(C(=O)[O-])C1(C)C ZINC000548357067 484804426 /nfs/dbraw/zinc/80/44/26/484804426.db2.gz PMMMIAQZDGGALQ-QMTHXVAHSA-N -1 0 366.436 -0.026 20 0 FBADRM CCO[C@@H]1C[C@](NS(=O)(=O)N(C)CCC(=O)OC)(C(=O)[O-])C1(C)C ZINC000548357069 484803893 /nfs/dbraw/zinc/80/38/93/484803893.db2.gz PMMMIAQZDGGALQ-YGRLFVJLSA-N -1 0 366.436 -0.026 20 0 FBADRM CN(C)C(=O)c1cc(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])cn1C ZINC000548357192 484804103 /nfs/dbraw/zinc/80/41/03/484804103.db2.gz WXTZWSOCERRASS-AWEZNQCLSA-N -1 0 361.420 -0.522 20 0 FBADRM CN(C)C(=O)c1cc(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])cn1C ZINC000548357193 484804671 /nfs/dbraw/zinc/80/46/71/484804671.db2.gz WXTZWSOCERRASS-CQSZACIVSA-N -1 0 361.420 -0.522 20 0 FBADRM C[C@@](CO)(CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)CC(=O)[O-] ZINC000548357202 484804079 /nfs/dbraw/zinc/80/40/79/484804079.db2.gz WZXHOJPLBAWVHC-AWEZNQCLSA-N -1 0 371.371 -0.207 20 0 FBADRM C[C@](CO)(CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)CC(=O)[O-] ZINC000548357204 484804000 /nfs/dbraw/zinc/80/40/00/484804000.db2.gz WZXHOJPLBAWVHC-CQSZACIVSA-N -1 0 371.371 -0.207 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])CC1 ZINC000548357367 484803691 /nfs/dbraw/zinc/80/36/91/484803691.db2.gz WIIQKWIREYTOPL-CYBMUJFWSA-N -1 0 352.409 -0.821 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])CC1 ZINC000548357368 484804306 /nfs/dbraw/zinc/80/43/06/484804306.db2.gz WIIQKWIREYTOPL-ZDUSSCGKSA-N -1 0 352.409 -0.821 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)NCCCCCC(=O)[O-])CC1 ZINC000548445466 484809320 /nfs/dbraw/zinc/80/93/20/484809320.db2.gz PDTVCRULDIXHPI-UHFFFAOYSA-N -1 0 357.454 -0.957 20 0 FBADRM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)nn1C ZINC000548477462 484417471 /nfs/dbraw/zinc/41/74/71/484417471.db2.gz IVXCIUYSUSKQLD-UHFFFAOYSA-N -1 0 351.388 0.420 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(OC)n(C)n2)c1 ZINC000548477503 484201930 /nfs/dbraw/zinc/20/19/30/484201930.db2.gz LXFKXSHZAZRBDW-UHFFFAOYSA-N -1 0 360.417 0.138 20 0 FBADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)NCCN1CCNC(=O)C1 ZINC000548516028 484810875 /nfs/dbraw/zinc/81/08/75/484810875.db2.gz XRSIQTOFDFLNBC-UHFFFAOYSA-N -1 0 364.431 -0.030 20 0 FBADRM COCCN(C)S(=O)(=O)N[C@H](Cc1c[nH]c2ncccc12)C(=O)[O-] ZINC000548524749 484812687 /nfs/dbraw/zinc/81/26/87/484812687.db2.gz XDPQDSPLPJVUQF-GFCCVEGCSA-N -1 0 356.404 -0.029 20 0 FBADRM COCCN(C)S(=O)(=O)N[C@@H](Cc1c[nH]c2ncccc12)C(=O)[O-] ZINC000548524750 484812564 /nfs/dbraw/zinc/81/25/64/484812564.db2.gz XDPQDSPLPJVUQF-LBPRGKRZSA-N -1 0 356.404 -0.029 20 0 FBADRM COc1ccccc1-n1cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cn1 ZINC000548525206 484812352 /nfs/dbraw/zinc/81/23/52/484812352.db2.gz BZTMAQIWZIIDHN-UHFFFAOYSA-N -1 0 368.371 -0.640 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(Br)cn1 ZINC000548525228 484812233 /nfs/dbraw/zinc/81/22/33/484812233.db2.gz VXHZEAADTZVOAF-UHFFFAOYSA-N -1 0 352.166 -0.677 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000548525654 484812287 /nfs/dbraw/zinc/81/22/87/484812287.db2.gz MAQMTQHSGJKVHT-UHFFFAOYSA-N -1 0 363.735 -0.746 20 0 FBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1cnn(-c2ccccc2)c1)C(=O)[O-] ZINC000548526698 484812489 /nfs/dbraw/zinc/81/24/89/484812489.db2.gz SRCDIWBGXPECDO-GFCCVEGCSA-N -1 0 352.372 -0.131 20 0 FBADRM COCCOc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1C ZINC000548526843 484812664 /nfs/dbraw/zinc/81/26/64/484812664.db2.gz LNLUJSNYJYCNNB-UHFFFAOYSA-N -1 0 360.388 -0.501 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000548527261 484811834 /nfs/dbraw/zinc/81/18/34/484811834.db2.gz VFYVMTQVNJTILU-UHFFFAOYSA-N -1 0 367.383 -0.999 20 0 FBADRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)[C@H]1CCOC1 ZINC000548528481 484812129 /nfs/dbraw/zinc/81/21/29/484812129.db2.gz DALULDLPKIEKJK-GWCFXTLKSA-N -1 0 354.384 -0.260 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)[C@H]1CCOC1 ZINC000548528483 484812251 /nfs/dbraw/zinc/81/22/51/484812251.db2.gz DALULDLPKIEKJK-GXFFZTMASA-N -1 0 354.384 -0.260 20 0 FBADRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)[C@@H]1CCOC1 ZINC000548528485 484812225 /nfs/dbraw/zinc/81/22/25/484812225.db2.gz DALULDLPKIEKJK-MFKMUULPSA-N -1 0 354.384 -0.260 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)[C@@H]1CCOC1 ZINC000548528487 484812699 /nfs/dbraw/zinc/81/26/99/484812699.db2.gz DALULDLPKIEKJK-ZWNOBZJWSA-N -1 0 354.384 -0.260 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](Cn2cc(C)cn2)C(=O)[O-])c[nH]1 ZINC000548528875 484812460 /nfs/dbraw/zinc/81/24/60/484812460.db2.gz IAEKSQKIJLRCFC-LLVKDONJSA-N -1 0 356.360 -0.262 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](Cn2cc(C)cn2)C(=O)[O-])c[nH]1 ZINC000548528881 484811885 /nfs/dbraw/zinc/81/18/85/484811885.db2.gz IAEKSQKIJLRCFC-NSHDSACASA-N -1 0 356.360 -0.262 20 0 FBADRM COCC[C@@H](NS(=O)(=O)c1cccc(-c2nnnn2C)c1)C(=O)[O-] ZINC000548529189 484811953 /nfs/dbraw/zinc/81/19/53/484811953.db2.gz JFDWTCDFVLMHIB-LLVKDONJSA-N -1 0 355.376 -0.355 20 0 FBADRM COCC[C@H](NS(=O)(=O)c1cccc(-c2nnnn2C)c1)C(=O)[O-] ZINC000548529195 484811691 /nfs/dbraw/zinc/81/16/91/484811691.db2.gz JFDWTCDFVLMHIB-NSHDSACASA-N -1 0 355.376 -0.355 20 0 FBADRM O=C([O-])[C@H](CO)NS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000548529311 484812199 /nfs/dbraw/zinc/81/21/99/484812199.db2.gz MDFJCAUOMMUURG-OLZOCXBDSA-N -1 0 356.400 -0.344 20 0 FBADRM O=C([O-])[C@H](CO)NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000548529314 484812539 /nfs/dbraw/zinc/81/25/39/484812539.db2.gz MDFJCAUOMMUURG-STQMWFEESA-N -1 0 356.400 -0.344 20 0 FBADRM COC(=O)c1cc(F)cc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c1 ZINC000548529999 484812011 /nfs/dbraw/zinc/81/20/11/484812011.db2.gz NZEJOZZUIXYGPS-SNVBAGLBSA-N -1 0 362.335 -0.391 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)cn1 ZINC000548530101 484812316 /nfs/dbraw/zinc/81/23/16/484812316.db2.gz QLQWOBKAKLHYHE-LLVKDONJSA-N -1 0 354.344 -0.294 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)cn1 ZINC000548530112 484812544 /nfs/dbraw/zinc/81/25/44/484812544.db2.gz QLQWOBKAKLHYHE-NSHDSACASA-N -1 0 354.344 -0.294 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)c1cnn(Cc2ccccc2)c1)C(=O)[O-] ZINC000548530264 484811808 /nfs/dbraw/zinc/81/18/08/484811808.db2.gz JUKPREPIWRCXCO-LBPRGKRZSA-N -1 0 352.372 -0.462 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000548530369 484812408 /nfs/dbraw/zinc/81/24/08/484812408.db2.gz PNHOMKCPPUWLKZ-NEPJUHHUSA-N -1 0 354.425 -0.705 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000548530371 484812642 /nfs/dbraw/zinc/81/26/42/484812642.db2.gz PNHOMKCPPUWLKZ-NWDGAFQWSA-N -1 0 354.425 -0.705 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000548530372 484812605 /nfs/dbraw/zinc/81/26/05/484812605.db2.gz PNHOMKCPPUWLKZ-RYUDHWBXSA-N -1 0 354.425 -0.705 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000548530373 484812531 /nfs/dbraw/zinc/81/25/31/484812531.db2.gz PNHOMKCPPUWLKZ-VXGBXAGGSA-N -1 0 354.425 -0.705 20 0 FBADRM CCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1 ZINC000548530473 484812385 /nfs/dbraw/zinc/81/23/85/484812385.db2.gz MVKFHSHTZSYIAR-KCJUWKMLSA-N -1 0 351.402 -0.408 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)[O-])cc1C(N)=O ZINC000548530528 484812635 /nfs/dbraw/zinc/81/26/35/484812635.db2.gz RLFKLXHXCJSUDP-BXKDBHETSA-N -1 0 372.399 -0.048 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)[O-])cc1C(N)=O ZINC000548530533 484812368 /nfs/dbraw/zinc/81/23/68/484812368.db2.gz RLFKLXHXCJSUDP-CABZTGNLSA-N -1 0 372.399 -0.048 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)[O-])cc1C(N)=O ZINC000548530536 484812513 /nfs/dbraw/zinc/81/25/13/484812513.db2.gz RLFKLXHXCJSUDP-JOYOIKCWSA-N -1 0 372.399 -0.048 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)[O-])cc1C(N)=O ZINC000548530537 484812627 /nfs/dbraw/zinc/81/26/27/484812627.db2.gz RLFKLXHXCJSUDP-SKDRFNHKSA-N -1 0 372.399 -0.048 20 0 FBADRM COC(=O)c1cc(F)c(C)c(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000548530587 484811542 /nfs/dbraw/zinc/81/15/42/484811542.db2.gz PXUYJQWIJSJVFS-SECBINFHSA-N -1 0 362.335 -0.472 20 0 FBADRM CCOC(=O)c1cc(F)cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000548530745 484812267 /nfs/dbraw/zinc/81/22/67/484812267.db2.gz UJOWAPKLRCQDCM-SNVBAGLBSA-N -1 0 362.335 -0.391 20 0 FBADRM COc1ccccc1-n1cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cn1 ZINC000548530834 484811528 /nfs/dbraw/zinc/81/15/28/484811528.db2.gz UTLPQSPNRQNBGS-JTQLQIEISA-N -1 0 368.371 -0.512 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000548530926 484811654 /nfs/dbraw/zinc/81/16/54/484811654.db2.gz WMQYCQMQMHMDDV-BXKDBHETSA-N -1 0 363.413 -0.142 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC000548530940 484812417 /nfs/dbraw/zinc/81/24/17/484812417.db2.gz WMQYCQMQMHMDDV-CABZTGNLSA-N -1 0 363.413 -0.142 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC000548530944 484812335 /nfs/dbraw/zinc/81/23/35/484812335.db2.gz WMQYCQMQMHMDDV-JOYOIKCWSA-N -1 0 363.413 -0.142 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000548530947 484812421 /nfs/dbraw/zinc/81/24/21/484812421.db2.gz WMQYCQMQMHMDDV-SKDRFNHKSA-N -1 0 363.413 -0.142 20 0 FBADRM O=C([O-])[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000548531009 484812001 /nfs/dbraw/zinc/81/20/01/484812001.db2.gz PVEASZKGIBWGGB-GWCFXTLKSA-N -1 0 367.387 -0.180 20 0 FBADRM O=C([O-])[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000548531013 484811662 /nfs/dbraw/zinc/81/16/62/484811662.db2.gz PVEASZKGIBWGGB-GXFFZTMASA-N -1 0 367.387 -0.180 20 0 FBADRM O=C([O-])[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000548531016 484812326 /nfs/dbraw/zinc/81/23/26/484812326.db2.gz PVEASZKGIBWGGB-MFKMUULPSA-N -1 0 367.387 -0.180 20 0 FBADRM O=C([O-])[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000548531020 484811985 /nfs/dbraw/zinc/81/19/85/484811985.db2.gz PVEASZKGIBWGGB-ZWNOBZJWSA-N -1 0 367.387 -0.180 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)[C@@H]1CCOC1 ZINC000548531042 484812586 /nfs/dbraw/zinc/81/25/86/484812586.db2.gz OSIOADWYOSBVDL-AMIZOPFISA-N -1 0 356.356 -0.215 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)[C@H]1CCOC1 ZINC000548531044 484811942 /nfs/dbraw/zinc/81/19/42/484811942.db2.gz OSIOADWYOSBVDL-ISVAXAHUSA-N -1 0 356.356 -0.215 20 0 FBADRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)[C@@H]1CCOC1 ZINC000548531046 484811758 /nfs/dbraw/zinc/81/17/58/484811758.db2.gz OSIOADWYOSBVDL-OQPBUACISA-N -1 0 356.356 -0.215 20 0 FBADRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)[C@H]1CCOC1 ZINC000548531047 484812694 /nfs/dbraw/zinc/81/26/94/484812694.db2.gz OSIOADWYOSBVDL-SDBXPKJASA-N -1 0 356.356 -0.215 20 0 FBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000548531171 484812376 /nfs/dbraw/zinc/81/23/76/484812376.db2.gz XCEWAIPDJVWANV-LBPRGKRZSA-N -1 0 354.384 -0.364 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)cn1C ZINC000548531220 484812189 /nfs/dbraw/zinc/81/21/89/484812189.db2.gz XYPFVRAIRNEWPD-BXKDBHETSA-N -1 0 360.388 -0.030 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)cn1C ZINC000548531225 484811637 /nfs/dbraw/zinc/81/16/37/484811637.db2.gz XYPFVRAIRNEWPD-CABZTGNLSA-N -1 0 360.388 -0.030 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)cn1C ZINC000548531226 484812554 /nfs/dbraw/zinc/81/25/54/484812554.db2.gz XYPFVRAIRNEWPD-JOYOIKCWSA-N -1 0 360.388 -0.030 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)cn1C ZINC000548531227 484811930 /nfs/dbraw/zinc/81/19/30/484811930.db2.gz XYPFVRAIRNEWPD-SKDRFNHKSA-N -1 0 360.388 -0.030 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)nc1)C(=O)[O-] ZINC000548532131 484812060 /nfs/dbraw/zinc/81/20/60/484812060.db2.gz HMTCPWYZVXPTQX-VIFPVBQESA-N -1 0 360.344 -0.447 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)[O-])cn1C ZINC000548532247 484811585 /nfs/dbraw/zinc/81/15/85/484811585.db2.gz NJEZUYUZGRWTTH-GXSJLCMTSA-N -1 0 360.388 -0.030 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)[O-])cn1C ZINC000548532248 484812172 /nfs/dbraw/zinc/81/21/72/484812172.db2.gz NJEZUYUZGRWTTH-KOLCDFICSA-N -1 0 360.388 -0.030 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)[O-])cn1C ZINC000548532249 484811994 /nfs/dbraw/zinc/81/19/94/484811994.db2.gz NJEZUYUZGRWTTH-MWLCHTKSSA-N -1 0 360.388 -0.030 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)[O-])cn1C ZINC000548532250 484812452 /nfs/dbraw/zinc/81/24/52/484812452.db2.gz NJEZUYUZGRWTTH-ONGXEEELSA-N -1 0 360.388 -0.030 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)cc1C(N)=O ZINC000548532312 484811821 /nfs/dbraw/zinc/81/18/21/484811821.db2.gz PTVWIXBMWBPGHX-PELKAZGASA-N -1 0 358.372 -0.438 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)cc1C(N)=O ZINC000548532313 484812987 /nfs/dbraw/zinc/81/29/87/484812987.db2.gz PTVWIXBMWBPGHX-PRHODGIISA-N -1 0 358.372 -0.438 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)cc1C(N)=O ZINC000548532314 484813001 /nfs/dbraw/zinc/81/30/01/484813001.db2.gz PTVWIXBMWBPGHX-QPUJVOFHSA-N -1 0 358.372 -0.438 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)cc1C(N)=O ZINC000548532315 484813417 /nfs/dbraw/zinc/81/34/17/484813417.db2.gz PTVWIXBMWBPGHX-UFBFGSQYSA-N -1 0 358.372 -0.438 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000548532793 484813193 /nfs/dbraw/zinc/81/31/93/484813193.db2.gz MXLZKPWQQFWFSF-LBPRGKRZSA-N -1 0 363.359 -0.640 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-] ZINC000548532945 484813749 /nfs/dbraw/zinc/81/37/49/484813749.db2.gz UVPRDVOWKQRPSH-YFKPBYRVSA-N -1 0 352.346 -0.776 20 0 FBADRM Cn1c(=O)oc2cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]3CCOC3)ccc21 ZINC000548533125 484813796 /nfs/dbraw/zinc/81/37/96/484813796.db2.gz AIYDNXYEVCQRPE-PELKAZGASA-N -1 0 356.356 -0.101 20 0 FBADRM Cn1c(=O)oc2cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]3CCOC3)ccc21 ZINC000548533126 484813010 /nfs/dbraw/zinc/81/30/10/484813010.db2.gz AIYDNXYEVCQRPE-PRHODGIISA-N -1 0 356.356 -0.101 20 0 FBADRM Cn1c(=O)oc2cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]3CCOC3)ccc21 ZINC000548533127 484813702 /nfs/dbraw/zinc/81/37/02/484813702.db2.gz AIYDNXYEVCQRPE-QPUJVOFHSA-N -1 0 356.356 -0.101 20 0 FBADRM Cn1c(=O)oc2cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]3CCOC3)ccc21 ZINC000548533128 484813863 /nfs/dbraw/zinc/81/38/63/484813863.db2.gz AIYDNXYEVCQRPE-UFBFGSQYSA-N -1 0 356.356 -0.101 20 0 FBADRM CCn1c2ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc2oc1=O ZINC000548533129 484813326 /nfs/dbraw/zinc/81/33/26/484813326.db2.gz AJVDVXAVWINTID-MRVPVSSYSA-N -1 0 357.344 -0.779 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)[C@@H]1CCOC1 ZINC000548533446 484813659 /nfs/dbraw/zinc/81/36/59/484813659.db2.gz FYNNRGLUEOESFV-BXKDBHETSA-N -1 0 353.360 -0.570 20 0 FBADRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)[C@H]1CCOC1 ZINC000548533450 484813930 /nfs/dbraw/zinc/81/39/30/484813930.db2.gz FYNNRGLUEOESFV-CABZTGNLSA-N -1 0 353.360 -0.570 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)[C@H]1CCOC1 ZINC000548533451 484813409 /nfs/dbraw/zinc/81/34/09/484813409.db2.gz FYNNRGLUEOESFV-JOYOIKCWSA-N -1 0 353.360 -0.570 20 0 FBADRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)[C@@H]1CCOC1 ZINC000548533452 484813788 /nfs/dbraw/zinc/81/37/88/484813788.db2.gz FYNNRGLUEOESFV-SKDRFNHKSA-N -1 0 353.360 -0.570 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)c1cnn(-c2ccccc2F)c1)C(=O)[O-] ZINC000548533507 484813676 /nfs/dbraw/zinc/81/36/76/484813676.db2.gz JLGJHTVOYCEGEW-JTQLQIEISA-N -1 0 356.335 -0.382 20 0 FBADRM CCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1 ZINC000548533633 484813649 /nfs/dbraw/zinc/81/36/49/484813649.db2.gz BUVASNNUDMOBJX-JTQLQIEISA-N -1 0 364.401 -0.913 20 0 FBADRM COCCN(CCOC)S(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000548533804 484813666 /nfs/dbraw/zinc/81/36/66/484813666.db2.gz LZRGEPTXURCWHP-UHFFFAOYSA-N -1 0 354.425 -0.703 20 0 FBADRM COCC[C@@H](NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2)C(=O)[O-] ZINC000548533859 484813104 /nfs/dbraw/zinc/81/31/04/484813104.db2.gz AXZHEGUJTAVHTE-LLVKDONJSA-N -1 0 363.413 -0.216 20 0 FBADRM COCC[C@H](NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2)C(=O)[O-] ZINC000548533860 484813309 /nfs/dbraw/zinc/81/33/09/484813309.db2.gz AXZHEGUJTAVHTE-NSHDSACASA-N -1 0 363.413 -0.216 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1)C(=O)[O-] ZINC000548535217 484813430 /nfs/dbraw/zinc/81/34/30/484813430.db2.gz NKHRCCULIFYXLC-ZETCQYMHSA-N -1 0 371.293 -0.370 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000548535222 484813422 /nfs/dbraw/zinc/81/34/22/484813422.db2.gz NBUOUKVMIWCJQL-NEPJUHHUSA-N -1 0 374.419 -0.493 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000548535223 484813812 /nfs/dbraw/zinc/81/38/12/484813812.db2.gz NBUOUKVMIWCJQL-NWDGAFQWSA-N -1 0 374.419 -0.493 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000548535224 484813853 /nfs/dbraw/zinc/81/38/53/484813853.db2.gz NBUOUKVMIWCJQL-RYUDHWBXSA-N -1 0 374.419 -0.493 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000548535226 484813459 /nfs/dbraw/zinc/81/34/59/484813459.db2.gz NBUOUKVMIWCJQL-VXGBXAGGSA-N -1 0 374.419 -0.493 20 0 FBADRM Cc1c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cnn1-c1ccccn1 ZINC000548535796 484813615 /nfs/dbraw/zinc/81/36/15/484813615.db2.gz VAOMHTLIAPOVLB-VIFPVBQESA-N -1 0 353.360 -0.817 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)NCc1nc(C)c(C(=O)[O-])s1 ZINC000548536421 484813592 /nfs/dbraw/zinc/81/35/92/484813592.db2.gz UGKUPUUYECAUFS-UHFFFAOYSA-N -1 0 351.406 -0.021 20 0 FBADRM CCc1oc(C(=O)OC)cc1S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000548536501 484813772 /nfs/dbraw/zinc/81/37/72/484813772.db2.gz GNPRAEVVJPQJLW-SSDOTTSWSA-N -1 0 362.360 -0.374 20 0 FBADRM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000548536869 484813267 /nfs/dbraw/zinc/81/32/67/484813267.db2.gz YHTHSGZBOOIHFU-AEJSXWLSSA-N -1 0 350.393 -0.644 20 0 FBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000548536870 484813573 /nfs/dbraw/zinc/81/35/73/484813573.db2.gz YHTHSGZBOOIHFU-BBBLOLIVSA-N -1 0 350.393 -0.644 20 0 FBADRM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000548536871 484813710 /nfs/dbraw/zinc/81/37/10/484813710.db2.gz YHTHSGZBOOIHFU-IVZWLZJFSA-N -1 0 350.393 -0.644 20 0 FBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000548536872 484813846 /nfs/dbraw/zinc/81/38/46/484813846.db2.gz YHTHSGZBOOIHFU-OPRDCNLKSA-N -1 0 350.393 -0.644 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])ccc1OC ZINC000548536883 484813372 /nfs/dbraw/zinc/81/33/72/484813372.db2.gz YPLXAOVAAAGOHI-SECBINFHSA-N -1 0 360.344 -0.911 20 0 FBADRM Cc1cnn(C[C@H](NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C(=O)[O-])c1 ZINC000548537258 484813940 /nfs/dbraw/zinc/81/39/40/484813940.db2.gz PPAFEWCPAWRRSM-AAEUAGOBSA-N -1 0 369.403 -0.219 20 0 FBADRM Cc1cnn(C[C@@H](NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C(=O)[O-])c1 ZINC000548537259 484813469 /nfs/dbraw/zinc/81/34/69/484813469.db2.gz PPAFEWCPAWRRSM-DGCLKSJQSA-N -1 0 369.403 -0.219 20 0 FBADRM Cc1cnn(C[C@@H](NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C(=O)[O-])c1 ZINC000548537260 484813641 /nfs/dbraw/zinc/81/36/41/484813641.db2.gz PPAFEWCPAWRRSM-WCQYABFASA-N -1 0 369.403 -0.219 20 0 FBADRM Cc1cnn(C[C@H](NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C(=O)[O-])c1 ZINC000548537261 484813450 /nfs/dbraw/zinc/81/34/50/484813450.db2.gz PPAFEWCPAWRRSM-YPMHNXCESA-N -1 0 369.403 -0.219 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)[O-] ZINC000548537333 484813331 /nfs/dbraw/zinc/81/33/31/484813331.db2.gz SNATVAUGFXTGCD-NSHDSACASA-N -1 0 354.340 -0.177 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](C(=O)[O-])c1c(C)nn(C)c1C ZINC000548537547 484813351 /nfs/dbraw/zinc/81/33/51/484813351.db2.gz AYEGXSCHUHMQEO-GFCCVEGCSA-N -1 0 362.408 -0.508 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](C(=O)[O-])c1c(C)nn(C)c1C ZINC000548537548 484813952 /nfs/dbraw/zinc/81/39/52/484813952.db2.gz AYEGXSCHUHMQEO-LBPRGKRZSA-N -1 0 362.408 -0.508 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000548537623 484813519 /nfs/dbraw/zinc/81/35/19/484813519.db2.gz FFDJNSXCTIRMLC-MRVPVSSYSA-N -1 0 360.373 -0.233 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000548537624 484813295 /nfs/dbraw/zinc/81/32/95/484813295.db2.gz FFDJNSXCTIRMLC-QMMMGPOBSA-N -1 0 360.373 -0.233 20 0 FBADRM COCCn1cc(S(=O)(=O)N[C@H](Cn2nc(C)cc2C)C(=O)[O-])cn1 ZINC000548537660 484813486 /nfs/dbraw/zinc/81/34/86/484813486.db2.gz GWHVZHBUZBKQRC-CYBMUJFWSA-N -1 0 371.419 -0.225 20 0 FBADRM COCCn1cc(S(=O)(=O)N[C@@H](Cn2nc(C)cc2C)C(=O)[O-])cn1 ZINC000548537661 484813840 /nfs/dbraw/zinc/81/38/40/484813840.db2.gz GWHVZHBUZBKQRC-ZDUSSCGKSA-N -1 0 371.419 -0.225 20 0 FBADRM Cc1cc(C)n(C[C@@H](NS(=O)(=O)N2CCOC(C)(C)C2)C(=O)[O-])n1 ZINC000548537863 484813052 /nfs/dbraw/zinc/81/30/52/484813052.db2.gz MOQKPRKQSSOHGU-GFCCVEGCSA-N -1 0 360.436 -0.102 20 0 FBADRM Cc1cc(C)n(C[C@H](NS(=O)(=O)N2CCOC(C)(C)C2)C(=O)[O-])n1 ZINC000548537864 484813076 /nfs/dbraw/zinc/81/30/76/484813076.db2.gz MOQKPRKQSSOHGU-LBPRGKRZSA-N -1 0 360.436 -0.102 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1cc(F)cc(C(=O)OC)c1)C(=O)[O-] ZINC000548538227 484813131 /nfs/dbraw/zinc/81/31/31/484813131.db2.gz DWMJHERGGWJSKZ-JTQLQIEISA-N -1 0 363.319 -0.093 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000548538934 484813880 /nfs/dbraw/zinc/81/38/80/484813880.db2.gz AGVFTKFXNFRJEH-UHFFFAOYSA-N -1 0 352.390 -0.229 20 0 FBADRM COC(=O)c1cc(F)c(C)c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000548539141 484813064 /nfs/dbraw/zinc/81/30/64/484813064.db2.gz PXUYJQWIJSJVFS-VIFPVBQESA-N -1 0 362.335 -0.472 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000548539162 484813891 /nfs/dbraw/zinc/81/38/91/484813891.db2.gz RBTSFTWTVWPBPE-QMMMGPOBSA-N -1 0 365.385 -0.615 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000548539305 484813565 /nfs/dbraw/zinc/81/35/65/484813565.db2.gz YRVQBNNIKUZVSU-UHFFFAOYSA-N -1 0 363.417 -0.381 20 0 FBADRM Cn1cnc2cc(S(=O)(=O)NCCN3C[C@@H](C(=O)[O-])CC3=O)ccc21 ZINC000548541004 484813686 /nfs/dbraw/zinc/81/36/86/484813686.db2.gz GYHXOVDKWLDWRV-JTQLQIEISA-N -1 0 366.399 -0.215 20 0 FBADRM Cn1cnc2cc(S(=O)(=O)NCCN3C[C@H](C(=O)[O-])CC3=O)ccc21 ZINC000548541005 484813173 /nfs/dbraw/zinc/81/31/73/484813173.db2.gz GYHXOVDKWLDWRV-SNVBAGLBSA-N -1 0 366.399 -0.215 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)NC[C@H](Cc2cnn(C)c2)C(=O)[O-])C[C@H](C)O1 ZINC000548541643 484813732 /nfs/dbraw/zinc/81/37/32/484813732.db2.gz JEUFTMXWSWQXEA-LOWVWBTDSA-N -1 0 360.436 -0.393 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)NC[C@@H](Cc2cnn(C)c2)C(=O)[O-])C[C@@H](C)O1 ZINC000548542011 484813342 /nfs/dbraw/zinc/81/33/42/484813342.db2.gz JEUFTMXWSWQXEA-NQBHXWOUSA-N -1 0 360.436 -0.393 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)NC[C@@H](Cc2cnn(C)c2)C(=O)[O-])C[C@H](C)O1 ZINC000548542012 484813804 /nfs/dbraw/zinc/81/38/04/484813804.db2.gz JEUFTMXWSWQXEA-NTZNESFSSA-N -1 0 360.436 -0.393 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)NC[C@H](Cc2cnn(C)c2)C(=O)[O-])C[C@@H](C)O1 ZINC000548542013 484813538 /nfs/dbraw/zinc/81/35/38/484813538.db2.gz JEUFTMXWSWQXEA-WZRBSPASSA-N -1 0 360.436 -0.393 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)N2CCc3ccccc3C2)C1 ZINC000548543633 484813243 /nfs/dbraw/zinc/81/32/43/484813243.db2.gz FJJGUKWKEPYAAV-AWEZNQCLSA-N -1 0 367.427 -0.188 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)N2CCc3ccccc3C2)C1 ZINC000548543634 484813318 /nfs/dbraw/zinc/81/33/18/484813318.db2.gz FJJGUKWKEPYAAV-CQSZACIVSA-N -1 0 367.427 -0.188 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)[O-] ZINC000548543707 484813905 /nfs/dbraw/zinc/81/39/05/484813905.db2.gz FWQFPAYQWBXWNP-SECBINFHSA-N -1 0 366.779 -0.418 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)[O-] ZINC000548543719 484813084 /nfs/dbraw/zinc/81/30/84/484813084.db2.gz FWQFPAYQWBXWNP-VIFPVBQESA-N -1 0 366.779 -0.418 20 0 FBADRM C[C@H](CCC(=O)[O-])CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000548545836 484813382 /nfs/dbraw/zinc/81/33/82/484813382.db2.gz UVCYHECLLBMWAE-MRVPVSSYSA-N -1 0 355.372 -0.004 20 0 FBADRM C[C@@H](CCC(=O)[O-])CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000548545837 484813478 /nfs/dbraw/zinc/81/34/78/484813478.db2.gz UVCYHECLLBMWAE-QMMMGPOBSA-N -1 0 355.372 -0.004 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)C1 ZINC000548545917 484813365 /nfs/dbraw/zinc/81/33/65/484813365.db2.gz UXVCRDPCOXBSPB-CYBMUJFWSA-N -1 0 374.463 -0.139 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)C1 ZINC000548545918 484813022 /nfs/dbraw/zinc/81/30/22/484813022.db2.gz UXVCRDPCOXBSPB-ZDUSSCGKSA-N -1 0 374.463 -0.139 20 0 FBADRM C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000548547503 484813532 /nfs/dbraw/zinc/81/35/32/484813532.db2.gz HLMXAFQZJAEYSN-LDWIPMOCSA-N -1 0 371.396 -0.247 20 0 FBADRM C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000548547504 484813232 /nfs/dbraw/zinc/81/32/32/484813232.db2.gz HLMXAFQZJAEYSN-LHLIQPBNSA-N -1 0 371.396 -0.247 20 0 FBADRM C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000548547505 484813507 /nfs/dbraw/zinc/81/35/07/484813507.db2.gz HLMXAFQZJAEYSN-QUBYGPBYSA-N -1 0 371.396 -0.247 20 0 FBADRM C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000548547506 484813360 /nfs/dbraw/zinc/81/33/60/484813360.db2.gz HLMXAFQZJAEYSN-WKEGUHRASA-N -1 0 371.396 -0.247 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])cn1C ZINC000548548159 484813739 /nfs/dbraw/zinc/81/37/39/484813739.db2.gz ATLFJOGCRVTBAY-LLVKDONJSA-N -1 0 370.387 -0.481 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])cn1C ZINC000548548160 484813832 /nfs/dbraw/zinc/81/38/32/484813832.db2.gz ATLFJOGCRVTBAY-NSHDSACASA-N -1 0 370.387 -0.481 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000548548940 484813724 /nfs/dbraw/zinc/81/37/24/484813724.db2.gz FWJXIZHBHYNEEF-CYBMUJFWSA-N -1 0 372.399 -0.463 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000548548949 484813513 /nfs/dbraw/zinc/81/35/13/484813513.db2.gz FWJXIZHBHYNEEF-ZDUSSCGKSA-N -1 0 372.399 -0.463 20 0 FBADRM Cn1cc(C[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C(=O)[O-])cn1 ZINC000548549719 484813624 /nfs/dbraw/zinc/81/36/24/484813624.db2.gz HYIJZLNOMLHBFX-GFCCVEGCSA-N -1 0 365.371 -0.024 20 0 FBADRM Cn1cc(C[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C(=O)[O-])cn1 ZINC000548549732 484813036 /nfs/dbraw/zinc/81/30/36/484813036.db2.gz HYIJZLNOMLHBFX-LBPRGKRZSA-N -1 0 365.371 -0.024 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000548550555 484813252 /nfs/dbraw/zinc/81/32/52/484813252.db2.gz NPXKEPFXHXQTLR-LLVKDONJSA-N -1 0 354.384 -0.072 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000548550568 484813400 /nfs/dbraw/zinc/81/34/00/484813400.db2.gz NPXKEPFXHXQTLR-NSHDSACASA-N -1 0 354.384 -0.072 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1)C(=O)[O-] ZINC000548551219 484813285 /nfs/dbraw/zinc/81/32/85/484813285.db2.gz HHZIIYPEOIQYBT-GFCCVEGCSA-N -1 0 370.387 -0.228 20 0 FBADRM COC[C@H](NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1)C(=O)[O-] ZINC000548551220 484813959 /nfs/dbraw/zinc/81/39/59/484813959.db2.gz HHZIIYPEOIQYBT-LBPRGKRZSA-N -1 0 370.387 -0.228 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](COC)C(=O)[O-])c1 ZINC000548551617 484813695 /nfs/dbraw/zinc/81/36/95/484813695.db2.gz JSOLRIDEHCIAPD-LLVKDONJSA-N -1 0 351.402 -0.142 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](COC)C(=O)[O-])c1 ZINC000548551618 484813391 /nfs/dbraw/zinc/81/33/91/484813391.db2.gz JSOLRIDEHCIAPD-NSHDSACASA-N -1 0 351.402 -0.142 20 0 FBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-] ZINC000548551720 484813544 /nfs/dbraw/zinc/81/35/44/484813544.db2.gz UIRXNEWGRQRPJT-ZCFIWIBFSA-N -1 0 366.373 -0.386 20 0 FBADRM COc1ccc(OC)c(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000548552075 484813115 /nfs/dbraw/zinc/81/31/15/484813115.db2.gz WFSZBTPMHYCWQX-JTQLQIEISA-N -1 0 372.399 -0.085 20 0 FBADRM COc1ccc(OC)c(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000548552091 484813632 /nfs/dbraw/zinc/81/36/32/484813632.db2.gz WFSZBTPMHYCWQX-SNVBAGLBSA-N -1 0 372.399 -0.085 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C)C(=O)[O-] ZINC000548552201 484813183 /nfs/dbraw/zinc/81/31/83/484813183.db2.gz XAWABJPXFWAFEB-JTQLQIEISA-N -1 0 351.402 -0.224 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C)C(=O)[O-] ZINC000548552204 484813494 /nfs/dbraw/zinc/81/34/94/484813494.db2.gz XAWABJPXFWAFEB-SNVBAGLBSA-N -1 0 351.402 -0.224 20 0 FBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000548552828 484813820 /nfs/dbraw/zinc/81/38/20/484813820.db2.gz YPPBGEMZOCUAJO-OLZOCXBDSA-N -1 0 356.400 -0.344 20 0 FBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000548552829 484813916 /nfs/dbraw/zinc/81/39/16/484813916.db2.gz YPPBGEMZOCUAJO-STQMWFEESA-N -1 0 356.400 -0.344 20 0 FBADRM CCN(C)S(=O)(=O)N1CCN(C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000548553060 484813146 /nfs/dbraw/zinc/81/31/46/484813146.db2.gz MMBAUPSZILUPSM-UHFFFAOYSA-N -1 0 362.452 -0.283 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](Cc2ccco2)C(=O)[O-])c1 ZINC000548553273 484815029 /nfs/dbraw/zinc/81/50/29/484815029.db2.gz UEIOIHXNTLZQIY-GFCCVEGCSA-N -1 0 374.396 -0.099 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2ccco2)C(=O)[O-])c1 ZINC000548553274 484814470 /nfs/dbraw/zinc/81/44/70/484814470.db2.gz UEIOIHXNTLZQIY-LBPRGKRZSA-N -1 0 374.396 -0.099 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)NC[C@@H](Cc1cccnc1)C(=O)[O-] ZINC000548553570 484814895 /nfs/dbraw/zinc/81/48/95/484814895.db2.gz DAMAJFBQCUFBMP-GFCCVEGCSA-N -1 0 364.445 -0.321 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)NC[C@H](Cc1cccnc1)C(=O)[O-] ZINC000548553571 484814956 /nfs/dbraw/zinc/81/49/56/484814956.db2.gz DAMAJFBQCUFBMP-LBPRGKRZSA-N -1 0 364.445 -0.321 20 0 FBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000548554301 484814719 /nfs/dbraw/zinc/81/47/19/484814719.db2.gz GFMROSGRVFNIPM-LBPRGKRZSA-N -1 0 354.384 -0.364 20 0 FBADRM C[C@@H](CCCC(=O)[O-])NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000548554581 484814493 /nfs/dbraw/zinc/81/44/93/484814493.db2.gz RMPDYTUTONUQEH-JTQLQIEISA-N -1 0 357.454 -0.959 20 0 FBADRM C[C@H](CCCC(=O)[O-])NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000548554582 484814875 /nfs/dbraw/zinc/81/48/75/484814875.db2.gz RMPDYTUTONUQEH-SNVBAGLBSA-N -1 0 357.454 -0.959 20 0 FBADRM CC(C)(CCCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000548554874 484814563 /nfs/dbraw/zinc/81/45/63/484814563.db2.gz CYSGYBZEVMYEOJ-UHFFFAOYSA-N -1 0 371.481 -0.711 20 0 FBADRM CC(C)N([C@H](C)C(=O)[O-])S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000548554956 484814860 /nfs/dbraw/zinc/81/48/60/484814860.db2.gz LMQLTBQIMZIRQK-MRVPVSSYSA-N -1 0 370.387 -0.094 20 0 FBADRM CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000548554957 484814435 /nfs/dbraw/zinc/81/44/35/484814435.db2.gz LMQLTBQIMZIRQK-QMMMGPOBSA-N -1 0 370.387 -0.094 20 0 FBADRM Cn1cc(C[C@H](CNS(=O)(=O)c2ccc(C(N)=O)cc2)C(=O)[O-])cn1 ZINC000548555627 484815142 /nfs/dbraw/zinc/81/51/42/484815142.db2.gz YIJRTFFDDDHJDZ-GFCCVEGCSA-N -1 0 366.399 -0.259 20 0 FBADRM Cn1cc(C[C@@H](CNS(=O)(=O)c2ccc(C(N)=O)cc2)C(=O)[O-])cn1 ZINC000548555628 484814790 /nfs/dbraw/zinc/81/47/90/484814790.db2.gz YIJRTFFDDDHJDZ-LBPRGKRZSA-N -1 0 366.399 -0.259 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@H](Cc2ccco2)C(=O)[O-])cn1 ZINC000548556329 484814976 /nfs/dbraw/zinc/81/49/76/484814976.db2.gz GEVYSOFTPGCYOI-LLVKDONJSA-N -1 0 357.344 -0.377 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@@H](Cc2ccco2)C(=O)[O-])cn1 ZINC000548556330 484815023 /nfs/dbraw/zinc/81/50/23/484815023.db2.gz GEVYSOFTPGCYOI-NSHDSACASA-N -1 0 357.344 -0.377 20 0 FBADRM O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)N1CCc2ccccc2C1 ZINC000548557446 484815074 /nfs/dbraw/zinc/81/50/74/484815074.db2.gz YHHURXSRBHWARN-HNNXBMFYSA-N -1 0 369.443 -0.336 20 0 FBADRM O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)N1CCc2ccccc2C1 ZINC000548557447 484814390 /nfs/dbraw/zinc/81/43/90/484814390.db2.gz YHHURXSRBHWARN-OAHLLOKOSA-N -1 0 369.443 -0.336 20 0 FBADRM CCc1oc(C(=O)OC)cc1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000548558096 484814941 /nfs/dbraw/zinc/81/49/41/484814941.db2.gz BUTRKVODDYFUFI-UHFFFAOYSA-N -1 0 372.359 -0.217 20 0 FBADRM O=C([O-])Cn1cc(CNS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)nn1 ZINC000548558197 484814618 /nfs/dbraw/zinc/81/46/18/484814618.db2.gz MPIJSTWSBXIHSO-UHFFFAOYSA-N -1 0 371.419 -0.817 20 0 FBADRM COC(=O)c1cc(F)cc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000548558762 484815115 /nfs/dbraw/zinc/81/51/15/484815115.db2.gz AQMBAHHXWDWDFB-UHFFFAOYSA-N -1 0 372.334 -0.233 20 0 FBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000548558874 484815017 /nfs/dbraw/zinc/81/50/17/484815017.db2.gz CLVKPRYIZVFAFG-MWLCHTKSSA-N -1 0 361.397 -0.775 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-])CC1 ZINC000548559255 484814784 /nfs/dbraw/zinc/81/47/84/484814784.db2.gz GWFBZXMDHZNPAD-LLVKDONJSA-N -1 0 366.436 -0.336 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-])CC1 ZINC000548559261 484814756 /nfs/dbraw/zinc/81/47/56/484814756.db2.gz GWFBZXMDHZNPAD-NSHDSACASA-N -1 0 366.436 -0.336 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N1CC(=O)Nc2cc(C(=O)[O-])ccc21 ZINC000548559609 484814889 /nfs/dbraw/zinc/81/48/89/484814889.db2.gz SDXDIXNIBOLHPJ-UHFFFAOYSA-N -1 0 371.371 -0.117 20 0 FBADRM COCCN(CCC(=O)[O-])S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000548559982 484815052 /nfs/dbraw/zinc/81/50/52/484815052.db2.gz WZCGYDOPKDHXDW-UHFFFAOYSA-N -1 0 352.409 -0.461 20 0 FBADRM COC(=O)CCOc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC000548560194 484814657 /nfs/dbraw/zinc/81/46/57/484814657.db2.gz HEKQWGOHCFEPDJ-ZWNOBZJWSA-N -1 0 373.383 -0.163 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1)C(=O)[O-] ZINC000548560506 484814650 /nfs/dbraw/zinc/81/46/50/484814650.db2.gz MKYVTAPHMNVTBS-CMPLNLGQSA-N -1 0 360.388 -0.313 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1)C(=O)[O-] ZINC000548560507 484814698 /nfs/dbraw/zinc/81/46/98/484814698.db2.gz MKYVTAPHMNVTBS-JQWIXIFHSA-N -1 0 360.388 -0.313 20 0 FBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1)C(=O)[O-] ZINC000548560508 484814380 /nfs/dbraw/zinc/81/43/80/484814380.db2.gz MKYVTAPHMNVTBS-PWSUYJOCSA-N -1 0 360.388 -0.313 20 0 FBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1)C(=O)[O-] ZINC000548560509 484814538 /nfs/dbraw/zinc/81/45/38/484814538.db2.gz MKYVTAPHMNVTBS-ZYHUDNBSSA-N -1 0 360.388 -0.313 20 0 FBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000548560589 484814924 /nfs/dbraw/zinc/81/49/24/484814924.db2.gz AMLDRCPBDAJTCV-SVGQVSJJSA-N -1 0 362.747 -0.017 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H](COC)C(=O)[O-])cc1 ZINC000548560844 484814299 /nfs/dbraw/zinc/81/42/99/484814299.db2.gz PSXCHSKBUKFANR-LLVKDONJSA-N -1 0 366.417 -0.685 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H](COC)C(=O)[O-])cc1 ZINC000548560846 484815067 /nfs/dbraw/zinc/81/50/67/484815067.db2.gz PSXCHSKBUKFANR-NSHDSACASA-N -1 0 366.417 -0.685 20 0 FBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000548560899 484814808 /nfs/dbraw/zinc/81/48/08/484814808.db2.gz RWVIOTVJCNJGCZ-GFCCVEGCSA-N -1 0 359.404 -0.029 20 0 FBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000548560900 484814329 /nfs/dbraw/zinc/81/43/29/484814329.db2.gz RWVIOTVJCNJGCZ-LBPRGKRZSA-N -1 0 359.404 -0.029 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N(CCOC)CCC(=O)[O-] ZINC000548562817 484814427 /nfs/dbraw/zinc/81/44/27/484814427.db2.gz GAYCGGUOSLQNLZ-LLVKDONJSA-N -1 0 352.409 -0.318 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N(CCOC)CCC(=O)[O-] ZINC000548562818 484814350 /nfs/dbraw/zinc/81/43/50/484814350.db2.gz GAYCGGUOSLQNLZ-NSHDSACASA-N -1 0 352.409 -0.318 20 0 FBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000548563995 484814477 /nfs/dbraw/zinc/81/44/77/484814477.db2.gz QHTKSTBLCZFDQV-DGCLKSJQSA-N -1 0 366.395 -0.270 20 0 FBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000548564344 484815181 /nfs/dbraw/zinc/81/51/81/484815181.db2.gz AKSVZBNHGRKVLT-GFCCVEGCSA-N -1 0 365.429 -0.049 20 0 FBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000548564345 484814665 /nfs/dbraw/zinc/81/46/65/484814665.db2.gz AKSVZBNHGRKVLT-LBPRGKRZSA-N -1 0 365.429 -0.049 20 0 FBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1Cn1cncn1 ZINC000548564570 484814847 /nfs/dbraw/zinc/81/48/47/484814847.db2.gz VVZQRNXIQWFKSX-VXGBXAGGSA-N -1 0 352.372 -0.465 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)s1 ZINC000548564599 484814499 /nfs/dbraw/zinc/81/44/99/484814499.db2.gz FSPXNKYNNVMNDE-UHFFFAOYSA-N -1 0 360.373 -0.311 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N(CCOC)CCC(=O)[O-])CC1 ZINC000548564623 484815173 /nfs/dbraw/zinc/81/51/73/484815173.db2.gz QGTJYAQTRUBLEL-UHFFFAOYSA-N -1 0 366.436 -0.071 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@H](COC)C(=O)[O-])c1 ZINC000548565218 484814341 /nfs/dbraw/zinc/81/43/41/484814341.db2.gz GPYVRNBMXAWNGD-LLVKDONJSA-N -1 0 366.417 -0.685 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@@H](COC)C(=O)[O-])c1 ZINC000548565219 484814464 /nfs/dbraw/zinc/81/44/64/484814464.db2.gz GPYVRNBMXAWNGD-NSHDSACASA-N -1 0 366.417 -0.685 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N(CCC(=O)[O-])C1CCCC1 ZINC000548566349 484814542 /nfs/dbraw/zinc/81/45/42/484814542.db2.gz ZRDJDIMKVKIZIL-UHFFFAOYSA-N -1 0 356.466 -0.025 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)o1 ZINC000548566784 484814764 /nfs/dbraw/zinc/81/47/64/484814764.db2.gz OYBZGPBYXVDOHI-UHFFFAOYSA-N -1 0 358.332 -0.389 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000548566875 484814320 /nfs/dbraw/zinc/81/43/20/484814320.db2.gz SEXSXRWUMRNPPM-UHFFFAOYSA-N -1 0 362.429 -0.031 20 0 FBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000548566928 484815095 /nfs/dbraw/zinc/81/50/95/484815095.db2.gz UWKNNWIPOFCHFT-SECBINFHSA-N -1 0 358.372 -0.136 20 0 FBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000548566929 484815100 /nfs/dbraw/zinc/81/51/00/484815100.db2.gz UWKNNWIPOFCHFT-VIFPVBQESA-N -1 0 358.372 -0.136 20 0 FBADRM CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000548566965 484815081 /nfs/dbraw/zinc/81/50/81/484815081.db2.gz WJHQELDQLAGXBK-LLVKDONJSA-N -1 0 371.481 -0.761 20 0 FBADRM CCN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000548566966 484814929 /nfs/dbraw/zinc/81/49/29/484814929.db2.gz WJHQELDQLAGXBK-NSHDSACASA-N -1 0 371.481 -0.761 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N(CC(=O)[O-])CC(F)(F)F)cn1 ZINC000548567478 484814403 /nfs/dbraw/zinc/81/44/03/484814403.db2.gz LLRQXSQQHBVJPB-UHFFFAOYSA-N -1 0 359.282 -0.306 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000548567483 484814799 /nfs/dbraw/zinc/81/47/99/484814799.db2.gz LVHRKEDVUWHWJS-UHFFFAOYSA-N -1 0 356.344 -0.796 20 0 FBADRM COC(=O)c1cc(F)cc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1 ZINC000548567527 484814989 /nfs/dbraw/zinc/81/49/89/484814989.db2.gz NZEJOZZUIXYGPS-JTQLQIEISA-N -1 0 362.335 -0.391 20 0 FBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000548567988 484815045 /nfs/dbraw/zinc/81/50/45/484815045.db2.gz RMHNNKGVCUKVLR-JTQLQIEISA-N -1 0 355.376 -0.492 20 0 FBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000548567991 484814915 /nfs/dbraw/zinc/81/49/15/484814915.db2.gz RMHNNKGVCUKVLR-SNVBAGLBSA-N -1 0 355.376 -0.492 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])ccc1OC ZINC000548568816 484814726 /nfs/dbraw/zinc/81/47/26/484814726.db2.gz CHUWMYOYBASICP-LDYMZIIASA-N -1 0 359.356 -0.310 20 0 FBADRM CCS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000548568821 484815136 /nfs/dbraw/zinc/81/51/36/484815136.db2.gz COFRAHWNWIRAMO-SKDRFNHKSA-N -1 0 363.413 -0.311 20 0 FBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000548569003 484815109 /nfs/dbraw/zinc/81/51/09/484815109.db2.gz DFBZRXYNIPGIJB-SECBINFHSA-N -1 0 358.372 -0.022 20 0 FBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000548569004 484814903 /nfs/dbraw/zinc/81/49/03/484814903.db2.gz DFBZRXYNIPGIJB-VIFPVBQESA-N -1 0 358.372 -0.022 20 0 FBADRM CCc1oc(C(=O)OC)cc1S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000548569075 484815146 /nfs/dbraw/zinc/81/51/46/484815146.db2.gz GNPRAEVVJPQJLW-ZETCQYMHSA-N -1 0 362.360 -0.374 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000548569257 484815060 /nfs/dbraw/zinc/81/50/60/484815060.db2.gz HVVKXZPCIYNHFG-UHFFFAOYSA-N -1 0 356.466 -0.025 20 0 FBADRM CC[C@@H](CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)CC(=O)[O-] ZINC000548569479 484814584 /nfs/dbraw/zinc/81/45/84/484814584.db2.gz AIJJGOOBGAGARK-MRVPVSSYSA-N -1 0 370.387 -0.187 20 0 FBADRM CC[C@H](CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)CC(=O)[O-] ZINC000548569480 484814675 /nfs/dbraw/zinc/81/46/75/484814675.db2.gz AIJJGOOBGAGARK-QMMMGPOBSA-N -1 0 370.387 -0.187 20 0 FBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000548570174 484814549 /nfs/dbraw/zinc/81/45/49/484814549.db2.gz QAEAFQHJCMYRBL-LLVKDONJSA-N -1 0 363.413 -0.264 20 0 FBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000548570176 484814938 /nfs/dbraw/zinc/81/49/38/484814938.db2.gz QAEAFQHJCMYRBL-NSHDSACASA-N -1 0 363.413 -0.264 20 0 FBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000548572124 484814747 /nfs/dbraw/zinc/81/47/47/484814747.db2.gz WGLPBIIZLMTEOP-CYBMUJFWSA-N -1 0 354.384 -0.374 20 0 FBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000548572125 484814777 /nfs/dbraw/zinc/81/47/77/484814777.db2.gz WGLPBIIZLMTEOP-ZDUSSCGKSA-N -1 0 354.384 -0.374 20 0 FBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000548572627 484814881 /nfs/dbraw/zinc/81/48/81/484814881.db2.gz YYNFDQXBHJZOSA-JTQLQIEISA-N -1 0 352.409 -0.462 20 0 FBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000548572628 484814411 /nfs/dbraw/zinc/81/44/11/484814411.db2.gz YYNFDQXBHJZOSA-SNVBAGLBSA-N -1 0 352.409 -0.462 20 0 FBADRM CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000548572891 484814855 /nfs/dbraw/zinc/81/48/55/484814855.db2.gz ZBKKXQKMRDRESY-GFCCVEGCSA-N -1 0 363.413 -0.046 20 0 FBADRM CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000548572892 484815000 /nfs/dbraw/zinc/81/50/00/484815000.db2.gz ZBKKXQKMRDRESY-LBPRGKRZSA-N -1 0 363.413 -0.046 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)CC1 ZINC000548573248 484814705 /nfs/dbraw/zinc/81/47/05/484814705.db2.gz FVVIQIWIHRDXSH-NXEZZACHSA-N -1 0 362.404 -0.690 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)CC1 ZINC000548573249 484814818 /nfs/dbraw/zinc/81/48/18/484814818.db2.gz FVVIQIWIHRDXSH-UWVGGRQHSA-N -1 0 362.404 -0.690 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)CC1 ZINC000548573250 484814484 /nfs/dbraw/zinc/81/44/84/484814484.db2.gz FVVIQIWIHRDXSH-VHSXEESVSA-N -1 0 362.404 -0.690 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)CC1 ZINC000548573251 484814869 /nfs/dbraw/zinc/81/48/69/484814869.db2.gz FVVIQIWIHRDXSH-ZJUUUORDSA-N -1 0 362.404 -0.690 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@@H](CCSC)C(=O)[O-])cn1 ZINC000548574295 484814710 /nfs/dbraw/zinc/81/47/10/484814710.db2.gz YFFQDYZARLSKEX-VIFPVBQESA-N -1 0 351.406 -0.459 20 0 FBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000548575401 484814306 /nfs/dbraw/zinc/81/43/06/484814306.db2.gz HHKLXSTXBNHQNU-CYBMUJFWSA-N -1 0 366.395 -0.004 20 0 FBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000548575402 484816302 /nfs/dbraw/zinc/81/63/02/484816302.db2.gz HHKLXSTXBNHQNU-ZDUSSCGKSA-N -1 0 366.395 -0.004 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(CCOC)[C@H](C)C(=O)[O-])C1 ZINC000548576306 484815877 /nfs/dbraw/zinc/81/58/77/484815877.db2.gz CTGCHPSLZPXDRS-NEPJUHHUSA-N -1 0 366.436 -0.072 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(CCOC)[C@@H](C)C(=O)[O-])C1 ZINC000548576309 484816195 /nfs/dbraw/zinc/81/61/95/484816195.db2.gz CTGCHPSLZPXDRS-NWDGAFQWSA-N -1 0 366.436 -0.072 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(CCOC)[C@@H](C)C(=O)[O-])C1 ZINC000548576311 484816384 /nfs/dbraw/zinc/81/63/84/484816384.db2.gz CTGCHPSLZPXDRS-RYUDHWBXSA-N -1 0 366.436 -0.072 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(CCOC)[C@H](C)C(=O)[O-])C1 ZINC000548576313 484815737 /nfs/dbraw/zinc/81/57/37/484815737.db2.gz CTGCHPSLZPXDRS-VXGBXAGGSA-N -1 0 366.436 -0.072 20 0 FBADRM C[C@@H]1CCCN(S(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)C1 ZINC000548579268 484815958 /nfs/dbraw/zinc/81/59/58/484815958.db2.gz FVAZBOBKUJARIG-AGIUHOORSA-N -1 0 359.448 -0.030 20 0 FBADRM C[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)C1 ZINC000548579269 484816309 /nfs/dbraw/zinc/81/63/09/484816309.db2.gz FVAZBOBKUJARIG-FRRDWIJNSA-N -1 0 359.448 -0.030 20 0 FBADRM C[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H](N3C[C@H](C(=O)[O-])CC3=O)C2)C1 ZINC000548579270 484815573 /nfs/dbraw/zinc/81/55/73/484815573.db2.gz FVAZBOBKUJARIG-JHJVBQTASA-N -1 0 359.448 -0.030 20 0 FBADRM C[C@@H]1CCCN(S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)[O-])CC3=O)C2)C1 ZINC000548579271 484816129 /nfs/dbraw/zinc/81/61/29/484816129.db2.gz FVAZBOBKUJARIG-UPJWGTAASA-N -1 0 359.448 -0.030 20 0 FBADRM CCN(CC1CC1)S(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000548579968 484815674 /nfs/dbraw/zinc/81/56/74/484815674.db2.gz IYVKLMMZYCDKFF-CHWSQXEVSA-N -1 0 359.448 -0.030 20 0 FBADRM CCN(CC1CC1)S(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000548579969 484815700 /nfs/dbraw/zinc/81/57/00/484815700.db2.gz IYVKLMMZYCDKFF-OLZOCXBDSA-N -1 0 359.448 -0.030 20 0 FBADRM CCN(CC1CC1)S(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000548579970 484816279 /nfs/dbraw/zinc/81/62/79/484816279.db2.gz IYVKLMMZYCDKFF-QWHCGFSZSA-N -1 0 359.448 -0.030 20 0 FBADRM CCN(CC1CC1)S(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000548579971 484816102 /nfs/dbraw/zinc/81/61/02/484816102.db2.gz IYVKLMMZYCDKFF-STQMWFEESA-N -1 0 359.448 -0.030 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)c3cnc4n3CCC4)C2)C1 ZINC000548580934 484816182 /nfs/dbraw/zinc/81/61/82/484816182.db2.gz IJRZOQBLIQVVHP-GHMZBOCLSA-N -1 0 368.415 -0.475 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)c3cnc4n3CCC4)C2)C1 ZINC000548580935 484815952 /nfs/dbraw/zinc/81/59/52/484815952.db2.gz IJRZOQBLIQVVHP-MNOVXSKESA-N -1 0 368.415 -0.475 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)c3cnc4n3CCC4)C2)C1 ZINC000548580936 484815784 /nfs/dbraw/zinc/81/57/84/484815784.db2.gz IJRZOQBLIQVVHP-QWRGUYRKSA-N -1 0 368.415 -0.475 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)c3cnc4n3CCC4)C2)C1 ZINC000548580937 484816171 /nfs/dbraw/zinc/81/61/71/484816171.db2.gz IJRZOQBLIQVVHP-WDEREUQCSA-N -1 0 368.415 -0.475 20 0 FBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000548580967 484816063 /nfs/dbraw/zinc/81/60/63/484816063.db2.gz JJVGSNRHHVONOG-JTQLQIEISA-N -1 0 361.420 -0.163 20 0 FBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000548580968 484815659 /nfs/dbraw/zinc/81/56/59/484815659.db2.gz JJVGSNRHHVONOG-SNVBAGLBSA-N -1 0 361.420 -0.163 20 0 FBADRM CCOC(=O)CCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000548581200 484815838 /nfs/dbraw/zinc/81/58/38/484815838.db2.gz SWELBDSXEVAOJE-NXEZZACHSA-N -1 0 350.393 -0.690 20 0 FBADRM CCOC(=O)CCCS(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000548581201 484815809 /nfs/dbraw/zinc/81/58/09/484815809.db2.gz SWELBDSXEVAOJE-UWVGGRQHSA-N -1 0 350.393 -0.690 20 0 FBADRM CCOC(=O)CCCS(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000548581202 484815778 /nfs/dbraw/zinc/81/57/78/484815778.db2.gz SWELBDSXEVAOJE-VHSXEESVSA-N -1 0 350.393 -0.690 20 0 FBADRM CCOC(=O)CCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000548581203 484816152 /nfs/dbraw/zinc/81/61/52/484816152.db2.gz SWELBDSXEVAOJE-ZJUUUORDSA-N -1 0 350.393 -0.690 20 0 FBADRM CN(CC(C)(C)C(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000548583130 484815844 /nfs/dbraw/zinc/81/58/44/484815844.db2.gz YIIZOGDMLQIQGQ-UHFFFAOYSA-N -1 0 355.372 -0.052 20 0 FBADRM CCn1cc(S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)[O-])CC3=O)C2)nc1C ZINC000548584710 484816054 /nfs/dbraw/zinc/81/60/54/484816054.db2.gz GSRBJQCSJBLABH-NEPJUHHUSA-N -1 0 370.431 -0.092 20 0 FBADRM CCn1cc(S(=O)(=O)N2CC[C@@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)nc1C ZINC000548584711 484815828 /nfs/dbraw/zinc/81/58/28/484815828.db2.gz GSRBJQCSJBLABH-NWDGAFQWSA-N -1 0 370.431 -0.092 20 0 FBADRM CCn1cc(S(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)nc1C ZINC000548584712 484815704 /nfs/dbraw/zinc/81/57/04/484815704.db2.gz GSRBJQCSJBLABH-RYUDHWBXSA-N -1 0 370.431 -0.092 20 0 FBADRM CCn1cc(S(=O)(=O)N2CC[C@@H](N3C[C@H](C(=O)[O-])CC3=O)C2)nc1C ZINC000548584713 484816234 /nfs/dbraw/zinc/81/62/34/484816234.db2.gz GSRBJQCSJBLABH-VXGBXAGGSA-N -1 0 370.431 -0.092 20 0 FBADRM Nc1ncc(Cl)cc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000548584721 484815754 /nfs/dbraw/zinc/81/57/54/484815754.db2.gz HPSNPHNOCAIUSH-SSDOTTSWSA-N -1 0 369.808 -0.811 20 0 FBADRM Nc1ncc(Cl)cc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000548584722 484815894 /nfs/dbraw/zinc/81/58/94/484815894.db2.gz HPSNPHNOCAIUSH-ZETCQYMHSA-N -1 0 369.808 -0.811 20 0 FBADRM CCc1noc2ncc(S(=O)(=O)N3CC[S@](=O)C[C@@H]3C(=O)[O-])cc12 ZINC000548584733 484815885 /nfs/dbraw/zinc/81/58/85/484815885.db2.gz IPUNCSNRSKNPJO-BGJPBQGDSA-N -1 0 373.412 -0.009 20 0 FBADRM CCc1noc2ncc(S(=O)(=O)N3CC[S@@](=O)C[C@H]3C(=O)[O-])cc12 ZINC000548584734 484816364 /nfs/dbraw/zinc/81/63/64/484816364.db2.gz IPUNCSNRSKNPJO-BSNNYGBQSA-N -1 0 373.412 -0.009 20 0 FBADRM CCc1noc2ncc(S(=O)(=O)N3CC[S@@](=O)C[C@@H]3C(=O)[O-])cc12 ZINC000548584735 484815638 /nfs/dbraw/zinc/81/56/38/484815638.db2.gz IPUNCSNRSKNPJO-QVQLBTGDSA-N -1 0 373.412 -0.009 20 0 FBADRM CCc1noc2ncc(S(=O)(=O)N3CC[S@](=O)C[C@H]3C(=O)[O-])cc12 ZINC000548584736 484816227 /nfs/dbraw/zinc/81/62/27/484816227.db2.gz IPUNCSNRSKNPJO-RULNZOCKSA-N -1 0 373.412 -0.009 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])cc1 ZINC000548584960 484816273 /nfs/dbraw/zinc/81/62/73/484816273.db2.gz WWUXKJGZRDAIDH-AMXDTQDGSA-N -1 0 360.413 -0.149 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])cc1 ZINC000548584961 484815793 /nfs/dbraw/zinc/81/57/93/484815793.db2.gz WWUXKJGZRDAIDH-IPQOISQHSA-N -1 0 360.413 -0.149 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])cc1 ZINC000548584962 484816343 /nfs/dbraw/zinc/81/63/43/484816343.db2.gz WWUXKJGZRDAIDH-VERVWZFWSA-N -1 0 360.413 -0.149 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])cc1 ZINC000548584963 484815759 /nfs/dbraw/zinc/81/57/59/484815759.db2.gz WWUXKJGZRDAIDH-YTEVENLXSA-N -1 0 360.413 -0.149 20 0 FBADRM CC(C)n1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cn1 ZINC000548584980 484815864 /nfs/dbraw/zinc/81/58/64/484815864.db2.gz YANQYQYAXCEBCA-JTQLQIEISA-N -1 0 351.406 -0.664 20 0 FBADRM CC(C)n1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cn1 ZINC000548584981 484815629 /nfs/dbraw/zinc/81/56/29/484815629.db2.gz YANQYQYAXCEBCA-SNVBAGLBSA-N -1 0 351.406 -0.664 20 0 FBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1cccc2nsnc21 ZINC000548585009 484815814 /nfs/dbraw/zinc/81/58/14/484815814.db2.gz ZNJZLBVYZRVQAS-HXNGOWOSSA-N -1 0 361.426 -0.103 20 0 FBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)c1cccc2nsnc21 ZINC000548585010 484815729 /nfs/dbraw/zinc/81/57/29/484815729.db2.gz ZNJZLBVYZRVQAS-IJSAXESFSA-N -1 0 361.426 -0.103 20 0 FBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1cccc2nsnc21 ZINC000548585011 484816014 /nfs/dbraw/zinc/81/60/14/484816014.db2.gz ZNJZLBVYZRVQAS-PPRQPISWSA-N -1 0 361.426 -0.103 20 0 FBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1cccc2nsnc21 ZINC000548585012 484816160 /nfs/dbraw/zinc/81/61/60/484816160.db2.gz ZNJZLBVYZRVQAS-ZEDNOMKYSA-N -1 0 361.426 -0.103 20 0 FBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1cccc2c1OCCO2 ZINC000548585203 484816188 /nfs/dbraw/zinc/81/61/88/484816188.db2.gz NJKMTOLAMZIAEI-AUADJRAKSA-N -1 0 361.397 -0.336 20 0 FBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1cccc2c1OCCO2 ZINC000548585204 484816250 /nfs/dbraw/zinc/81/62/50/484816250.db2.gz NJKMTOLAMZIAEI-CLTRCRFRSA-N -1 0 361.397 -0.336 20 0 FBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1cccc2c1OCCO2 ZINC000548585205 484815936 /nfs/dbraw/zinc/81/59/36/484815936.db2.gz NJKMTOLAMZIAEI-GTUYJWLHSA-N -1 0 361.397 -0.336 20 0 FBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)c1cccc2c1OCCO2 ZINC000548585206 484816202 /nfs/dbraw/zinc/81/62/02/484816202.db2.gz NJKMTOLAMZIAEI-PVBMHHQDSA-N -1 0 361.397 -0.336 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])c[nH]1 ZINC000548585993 484816036 /nfs/dbraw/zinc/81/60/36/484816036.db2.gz ZPPNJXAYVJSXNN-AOUSDQRYSA-N -1 0 350.374 -0.993 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])c[nH]1 ZINC000548585995 484815667 /nfs/dbraw/zinc/81/56/67/484815667.db2.gz ZPPNJXAYVJSXNN-BTKVJGODSA-N -1 0 350.374 -0.993 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])c[nH]1 ZINC000548585997 484815609 /nfs/dbraw/zinc/81/56/09/484815609.db2.gz ZPPNJXAYVJSXNN-FPVGNUTFSA-N -1 0 350.374 -0.993 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])c[nH]1 ZINC000548585999 484816351 /nfs/dbraw/zinc/81/63/51/484816351.db2.gz ZPPNJXAYVJSXNN-JLTPVHFHSA-N -1 0 350.374 -0.993 20 0 FBADRM COCc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1 ZINC000548586351 484815799 /nfs/dbraw/zinc/81/57/99/484815799.db2.gz QOKIVDQTGGIFGZ-GFCCVEGCSA-N -1 0 363.413 -0.295 20 0 FBADRM COCc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1 ZINC000548586352 484815898 /nfs/dbraw/zinc/81/58/98/484815898.db2.gz QOKIVDQTGGIFGZ-LBPRGKRZSA-N -1 0 363.413 -0.295 20 0 FBADRM CCn1cc(S(=O)(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)cn1 ZINC000548586662 484815597 /nfs/dbraw/zinc/81/55/97/484815597.db2.gz BLFOEWLWKYHGED-LLVKDONJSA-N -1 0 370.431 -0.011 20 0 FBADRM CCn1cc(S(=O)(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)cn1 ZINC000548586663 484815903 /nfs/dbraw/zinc/81/59/03/484815903.db2.gz BLFOEWLWKYHGED-NSHDSACASA-N -1 0 370.431 -0.011 20 0 FBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000548586738 484815997 /nfs/dbraw/zinc/81/59/97/484815997.db2.gz HPKXFXODSUXUHF-DJNLSKAYSA-N -1 0 374.396 -0.776 20 0 FBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000548586739 484816003 /nfs/dbraw/zinc/81/60/03/484816003.db2.gz HPKXFXODSUXUHF-SDWAUSNYSA-N -1 0 374.396 -0.776 20 0 FBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000548586740 484815819 /nfs/dbraw/zinc/81/58/19/484815819.db2.gz HPKXFXODSUXUHF-VCGICTTQSA-N -1 0 374.396 -0.776 20 0 FBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000548586741 484816022 /nfs/dbraw/zinc/81/60/22/484816022.db2.gz HPKXFXODSUXUHF-WYVULQQZSA-N -1 0 374.396 -0.776 20 0 FBADRM CC(=O)N(C)c1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])cc1 ZINC000548586771 484815764 /nfs/dbraw/zinc/81/57/64/484815764.db2.gz AOXCSJAEYUUXSD-JCQPUDPBSA-N -1 0 374.440 -0.125 20 0 FBADRM CC(=O)N(C)c1ccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])cc1 ZINC000548586774 484815871 /nfs/dbraw/zinc/81/58/71/484815871.db2.gz AOXCSJAEYUUXSD-NPMABZOXSA-N -1 0 374.440 -0.125 20 0 FBADRM CC(=O)N(C)c1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])cc1 ZINC000548586775 484816140 /nfs/dbraw/zinc/81/61/40/484816140.db2.gz AOXCSJAEYUUXSD-ZAMGYDSWSA-N -1 0 374.440 -0.125 20 0 FBADRM CC(=O)N(C)c1ccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])cc1 ZINC000548586776 484815859 /nfs/dbraw/zinc/81/58/59/484815859.db2.gz AOXCSJAEYUUXSD-ZLOXQWCVSA-N -1 0 374.440 -0.125 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(S(=O)(=O)C[C@@H]3CCCO3)CC2)C1 ZINC000548586777 484815712 /nfs/dbraw/zinc/81/57/12/484815712.db2.gz BAJXALYOUBEXJG-AAEUAGOBSA-N -1 0 360.432 -0.107 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(S(=O)(=O)C[C@H]3CCCO3)CC2)C1 ZINC000548586779 484815745 /nfs/dbraw/zinc/81/57/45/484815745.db2.gz BAJXALYOUBEXJG-DGCLKSJQSA-N -1 0 360.432 -0.107 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(S(=O)(=O)C[C@H]3CCCO3)CC2)C1 ZINC000548586780 484815963 /nfs/dbraw/zinc/81/59/63/484815963.db2.gz BAJXALYOUBEXJG-WCQYABFASA-N -1 0 360.432 -0.107 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(S(=O)(=O)C[C@@H]3CCCO3)CC2)C1 ZINC000548586781 484816257 /nfs/dbraw/zinc/81/62/57/484816257.db2.gz BAJXALYOUBEXJG-YPMHNXCESA-N -1 0 360.432 -0.107 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])cs1 ZINC000548587084 484815930 /nfs/dbraw/zinc/81/59/30/484815930.db2.gz YNYWQGVUIUSCEI-HXNGOWOSSA-N -1 0 367.426 -0.259 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])cs1 ZINC000548587085 484816086 /nfs/dbraw/zinc/81/60/86/484816086.db2.gz YNYWQGVUIUSCEI-IJSAXESFSA-N -1 0 367.426 -0.259 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])cs1 ZINC000548587086 484815691 /nfs/dbraw/zinc/81/56/91/484815691.db2.gz YNYWQGVUIUSCEI-PPRQPISWSA-N -1 0 367.426 -0.259 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])cs1 ZINC000548587087 484815923 /nfs/dbraw/zinc/81/59/23/484815923.db2.gz YNYWQGVUIUSCEI-ZEDNOMKYSA-N -1 0 367.426 -0.259 20 0 FBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-] ZINC000548588377 484816337 /nfs/dbraw/zinc/81/63/37/484816337.db2.gz NHIJDWFYUQXJFY-GHMZBOCLSA-N -1 0 352.409 -0.680 20 0 FBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-] ZINC000548588378 484816390 /nfs/dbraw/zinc/81/63/90/484816390.db2.gz NHIJDWFYUQXJFY-MNOVXSKESA-N -1 0 352.409 -0.680 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-] ZINC000548588379 484815853 /nfs/dbraw/zinc/81/58/53/484815853.db2.gz NHIJDWFYUQXJFY-QWRGUYRKSA-N -1 0 352.409 -0.680 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-] ZINC000548588380 484816329 /nfs/dbraw/zinc/81/63/29/484816329.db2.gz NHIJDWFYUQXJFY-WDEREUQCSA-N -1 0 352.409 -0.680 20 0 FBADRM O=C([O-])c1ccc(-n2cnnc2)c(NS(=O)(=O)N2CCOCC2)c1 ZINC000548589962 484815680 /nfs/dbraw/zinc/81/56/80/484815680.db2.gz MGTMSLZKOKUUJI-UHFFFAOYSA-N -1 0 353.360 -0.046 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000548590913 484815722 /nfs/dbraw/zinc/81/57/22/484815722.db2.gz FVTKVUGMOFUYPY-UHFFFAOYSA-N -1 0 374.400 -0.755 20 0 FBADRM Cn1c2ccc(S(=O)(=O)NCCSCC(=O)[O-])cc2n(C)c1=O ZINC000548590995 484816240 /nfs/dbraw/zinc/81/62/40/484816240.db2.gz IRXACDJUUBKQAF-UHFFFAOYSA-N -1 0 359.429 -0.027 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC000548591156 484817258 /nfs/dbraw/zinc/81/72/58/484817258.db2.gz FDPDGLHMFLUDBE-GWCFXTLKSA-N -1 0 358.372 -0.090 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC000548591160 484817233 /nfs/dbraw/zinc/81/72/33/484817233.db2.gz FDPDGLHMFLUDBE-GXFFZTMASA-N -1 0 358.372 -0.090 20 0 FBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC000548591162 484817286 /nfs/dbraw/zinc/81/72/86/484817286.db2.gz FDPDGLHMFLUDBE-MFKMUULPSA-N -1 0 358.372 -0.090 20 0 FBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC000548591163 484816793 /nfs/dbraw/zinc/81/67/93/484816793.db2.gz FDPDGLHMFLUDBE-ZWNOBZJWSA-N -1 0 358.372 -0.090 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)OCC)C(=O)[O-] ZINC000548591404 484817294 /nfs/dbraw/zinc/81/72/94/484817294.db2.gz AAELTEKPRYNHTC-DCAQKATOSA-N -1 0 352.409 -0.538 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)OCC)C(=O)[O-] ZINC000548591417 484817368 /nfs/dbraw/zinc/81/73/68/484817368.db2.gz AAELTEKPRYNHTC-GARJFASQSA-N -1 0 352.409 -0.538 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)N1CCC[C@@H]1C(=O)OCC)C(=O)[O-] ZINC000548591423 484817427 /nfs/dbraw/zinc/81/74/27/484817427.db2.gz AAELTEKPRYNHTC-OUAUKWLOSA-N -1 0 352.409 -0.538 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)N1CCC[C@@H]1C(=O)OCC)C(=O)[O-] ZINC000548591424 484817332 /nfs/dbraw/zinc/81/73/32/484817332.db2.gz AAELTEKPRYNHTC-VWYCJHECSA-N -1 0 352.409 -0.538 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c1C ZINC000548591753 484817532 /nfs/dbraw/zinc/81/75/32/484817532.db2.gz NHKZEARYOFPACN-UHFFFAOYSA-N -1 0 368.371 -0.064 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCCOCC(=O)[O-])c1 ZINC000548592299 484816851 /nfs/dbraw/zinc/81/68/51/484816851.db2.gz BXRYYNKIUUCJNJ-UHFFFAOYSA-N -1 0 366.417 -0.684 20 0 FBADRM COC(=O)c1cc(F)ccc1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000548592771 484817102 /nfs/dbraw/zinc/81/71/02/484817102.db2.gz LRIPISQIQWCBHY-UHFFFAOYSA-N -1 0 372.334 -0.233 20 0 FBADRM CC[C@@H](CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)CC(=O)[O-] ZINC000548593234 484817264 /nfs/dbraw/zinc/81/72/64/484817264.db2.gz SQQARVWEDVDCBJ-MRVPVSSYSA-N -1 0 355.372 -0.004 20 0 FBADRM CC[C@H](CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)CC(=O)[O-] ZINC000548593250 484817640 /nfs/dbraw/zinc/81/76/40/484817640.db2.gz SQQARVWEDVDCBJ-QMMMGPOBSA-N -1 0 355.372 -0.004 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NCCc1ccccc1C(=O)[O-] ZINC000548593511 484817037 /nfs/dbraw/zinc/81/70/37/484817037.db2.gz DNMKNBXFMWGWNQ-UHFFFAOYSA-N -1 0 364.445 -0.214 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)NCCSCC(=O)[O-])cc1 ZINC000548593627 484817199 /nfs/dbraw/zinc/81/71/99/484817199.db2.gz JAOAZOXWIBDHAY-UHFFFAOYSA-N -1 0 354.431 -0.570 20 0 FBADRM CCC[C@@H](C)C[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000548594592 484817536 /nfs/dbraw/zinc/81/75/36/484817536.db2.gz UJMBMTQEEUOYAM-NXEZZACHSA-N -1 0 361.420 -0.358 20 0 FBADRM CCC[C@H](C)C[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000548594597 484817631 /nfs/dbraw/zinc/81/76/31/484817631.db2.gz UJMBMTQEEUOYAM-UWVGGRQHSA-N -1 0 361.420 -0.358 20 0 FBADRM CCC[C@H](C)C[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000548594599 484817087 /nfs/dbraw/zinc/81/70/87/484817087.db2.gz UJMBMTQEEUOYAM-VHSXEESVSA-N -1 0 361.420 -0.358 20 0 FBADRM CCC[C@@H](C)C[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000548594600 484817402 /nfs/dbraw/zinc/81/74/02/484817402.db2.gz UJMBMTQEEUOYAM-ZJUUUORDSA-N -1 0 361.420 -0.358 20 0 FBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000548594803 484817477 /nfs/dbraw/zinc/81/74/77/484817477.db2.gz RMNUSDHKZUQCMX-GHMZBOCLSA-N -1 0 366.417 -0.774 20 0 FBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000548594807 484817473 /nfs/dbraw/zinc/81/74/73/484817473.db2.gz RMNUSDHKZUQCMX-MNOVXSKESA-N -1 0 366.417 -0.774 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000548594808 484817653 /nfs/dbraw/zinc/81/76/53/484817653.db2.gz RMNUSDHKZUQCMX-QWRGUYRKSA-N -1 0 366.417 -0.774 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000548594810 484816784 /nfs/dbraw/zinc/81/67/84/484816784.db2.gz RMNUSDHKZUQCMX-WDEREUQCSA-N -1 0 366.417 -0.774 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC000548595047 484817326 /nfs/dbraw/zinc/81/73/26/484817326.db2.gz LDYJGZGWUXPQCZ-SECBINFHSA-N -1 0 356.447 -0.268 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC000548595050 484816884 /nfs/dbraw/zinc/81/68/84/484816884.db2.gz LDYJGZGWUXPQCZ-VIFPVBQESA-N -1 0 356.447 -0.268 20 0 FBADRM COCCOc1ccccc1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000548595697 484817251 /nfs/dbraw/zinc/81/72/51/484817251.db2.gz YAILRDGATDWTIG-UHFFFAOYSA-N -1 0 370.387 -0.134 20 0 FBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000548597614 484817239 /nfs/dbraw/zinc/81/72/39/484817239.db2.gz NMYDINAAJFIHIG-LBPRGKRZSA-N -1 0 360.363 -0.215 20 0 FBADRM C[C@@H](CC(C)(C)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000548620297 484817671 /nfs/dbraw/zinc/81/76/71/484817671.db2.gz LBNUSUWUBKIJCZ-JTQLQIEISA-N -1 0 371.481 -0.713 20 0 FBADRM C[C@H](CC(C)(C)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000548620301 484816835 /nfs/dbraw/zinc/81/68/35/484816835.db2.gz LBNUSUWUBKIJCZ-SNVBAGLBSA-N -1 0 371.481 -0.713 20 0 FBADRM CS(=O)(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)c2ccncc2)CCO1 ZINC000548681980 484820742 /nfs/dbraw/zinc/82/07/42/484820742.db2.gz KCCAWUDXYPIHQT-GFCCVEGCSA-N -1 0 357.388 -0.731 20 0 FBADRM CS(=O)(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)c2ccncc2)CCO1 ZINC000548681981 484820643 /nfs/dbraw/zinc/82/06/43/484820643.db2.gz KCCAWUDXYPIHQT-LBPRGKRZSA-N -1 0 357.388 -0.731 20 0 FBADRM CCO[C@H]1C[C@](NS(=O)(=O)CCCS(C)(=O)=O)(C(=O)[O-])C1(C)C ZINC000548683479 484820597 /nfs/dbraw/zinc/82/05/97/484820597.db2.gz CBDAAKONHWNWLT-GWCFXTLKSA-N -1 0 371.477 -0.001 20 0 FBADRM CCO[C@H]1C[C@@](NS(=O)(=O)CCCS(C)(=O)=O)(C(=O)[O-])C1(C)C ZINC000548683480 484820016 /nfs/dbraw/zinc/82/00/16/484820016.db2.gz CBDAAKONHWNWLT-GXFFZTMASA-N -1 0 371.477 -0.001 20 0 FBADRM CCO[C@@H]1C[C@](NS(=O)(=O)CCCS(C)(=O)=O)(C(=O)[O-])C1(C)C ZINC000548683481 484820121 /nfs/dbraw/zinc/82/01/21/484820121.db2.gz CBDAAKONHWNWLT-MFKMUULPSA-N -1 0 371.477 -0.001 20 0 FBADRM CCO[C@@H]1C[C@@](NS(=O)(=O)CCCS(C)(=O)=O)(C(=O)[O-])C1(C)C ZINC000548683482 484820184 /nfs/dbraw/zinc/82/01/84/484820184.db2.gz CBDAAKONHWNWLT-ZWNOBZJWSA-N -1 0 371.477 -0.001 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])CC1 ZINC000548683854 484820458 /nfs/dbraw/zinc/82/04/58/484820458.db2.gz DVJSABQRPUAQJO-AWEZNQCLSA-N -1 0 366.436 -0.431 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])CC1 ZINC000548683855 484819978 /nfs/dbraw/zinc/81/99/78/484819978.db2.gz DVJSABQRPUAQJO-CQSZACIVSA-N -1 0 366.436 -0.431 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])C1 ZINC000548684745 484820307 /nfs/dbraw/zinc/82/03/07/484820307.db2.gz NELDFNXIUPYENE-BXUZGUMPSA-N -1 0 366.436 -0.431 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])C1 ZINC000548684747 484820442 /nfs/dbraw/zinc/82/04/42/484820442.db2.gz NELDFNXIUPYENE-FZMZJTMJSA-N -1 0 366.436 -0.431 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])C1 ZINC000548684748 484820591 /nfs/dbraw/zinc/82/05/91/484820591.db2.gz NELDFNXIUPYENE-RISCZKNCSA-N -1 0 366.436 -0.431 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])C1 ZINC000548684750 484820268 /nfs/dbraw/zinc/82/02/68/484820268.db2.gz NELDFNXIUPYENE-SMDDNHRTSA-N -1 0 366.436 -0.431 20 0 FBADRM C[C@](CO)(CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)CC(=O)[O-] ZINC000548685071 484820730 /nfs/dbraw/zinc/82/07/30/484820730.db2.gz VENBJUREMPQWIF-GFCCVEGCSA-N -1 0 366.417 -0.914 20 0 FBADRM C[C@@](CO)(CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)CC(=O)[O-] ZINC000548685072 484820650 /nfs/dbraw/zinc/82/06/50/484820650.db2.gz VENBJUREMPQWIF-LBPRGKRZSA-N -1 0 366.417 -0.914 20 0 FBADRM COC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])c1 ZINC000548771370 484824836 /nfs/dbraw/zinc/82/48/36/484824836.db2.gz XMHRLMIQXHJPTN-UWVGGRQHSA-N -1 0 359.356 -0.310 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC000548771600 484824445 /nfs/dbraw/zinc/82/44/45/484824445.db2.gz PPQYRFFTNYEUTR-UHFFFAOYSA-N -1 0 350.374 -0.158 20 0 FBADRM O=C([O-])c1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)nc1 ZINC000548783861 484824264 /nfs/dbraw/zinc/82/42/64/484824264.db2.gz NGKLBHFCOTWZBW-UHFFFAOYSA-N -1 0 360.370 -0.313 20 0 FBADRM O=C(CNC(=O)c1cc(F)cc2n[nH]nc21)NCCN1CCOCC1 ZINC000548802024 484826091 /nfs/dbraw/zinc/82/60/91/484826091.db2.gz VQKHIVVCIIDSOH-UHFFFAOYSA-N -1 0 350.354 -0.725 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)cc1 ZINC000548836295 484827509 /nfs/dbraw/zinc/82/75/09/484827509.db2.gz YHWXXFTVUMRVRE-UHFFFAOYSA-N -1 0 364.401 -0.754 20 0 FBADRM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000548836639 484826970 /nfs/dbraw/zinc/82/69/70/484826970.db2.gz SFZQLNFUMWCWHF-AAEUAGOBSA-N -1 0 354.384 -0.639 20 0 FBADRM CCn1c(=O)oc2cc(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])ccc21 ZINC000548836940 484827487 /nfs/dbraw/zinc/82/74/87/484827487.db2.gz DQZUQJHDYVKUPT-KWQFWETISA-N -1 0 356.356 -0.177 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC(O)(C(C)(C)C(=O)[O-])CC1 ZINC000548837219 484826779 /nfs/dbraw/zinc/82/67/79/484826779.db2.gz SCJBBFNXSHYLJF-UHFFFAOYSA-N -1 0 366.436 -0.336 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@]1(C(=O)[O-])CCC[C@H](C)C1 ZINC000548837380 484827382 /nfs/dbraw/zinc/82/73/82/484827382.db2.gz LCUIREJHMSKOBH-CMPLNLGQSA-N -1 0 356.466 -0.121 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@]1(C(=O)[O-])CCC[C@H](C)C1 ZINC000548837381 484826791 /nfs/dbraw/zinc/82/67/91/484826791.db2.gz LCUIREJHMSKOBH-JQWIXIFHSA-N -1 0 356.466 -0.121 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@]1(C(=O)[O-])CCC[C@@H](C)C1 ZINC000548837382 484827195 /nfs/dbraw/zinc/82/71/95/484827195.db2.gz LCUIREJHMSKOBH-PWSUYJOCSA-N -1 0 356.466 -0.121 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@]1(C(=O)[O-])CCC[C@@H](C)C1 ZINC000548837383 484827219 /nfs/dbraw/zinc/82/72/19/484827219.db2.gz LCUIREJHMSKOBH-ZYHUDNBSSA-N -1 0 356.466 -0.121 20 0 FBADRM COC(=O)CCOc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000548837616 484827426 /nfs/dbraw/zinc/82/74/26/484827426.db2.gz HEKQWGOHCFEPDJ-GWCFXTLKSA-N -1 0 373.383 -0.163 20 0 FBADRM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000548837681 484827437 /nfs/dbraw/zinc/82/74/37/484827437.db2.gz QHTKSTBLCZFDQV-AAEUAGOBSA-N -1 0 366.395 -0.270 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)c1 ZINC000548838219 484827536 /nfs/dbraw/zinc/82/75/36/484827536.db2.gz UUVLTGWOTNJHKK-UHFFFAOYSA-N -1 0 367.387 -0.211 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000548917021 484829841 /nfs/dbraw/zinc/82/98/41/484829841.db2.gz CQAFZTIKFAPQJE-PHIMTYICSA-N -1 0 356.400 -0.118 20 0 FBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000548992208 484829440 /nfs/dbraw/zinc/82/94/40/484829440.db2.gz FAUPVGAODFNXJO-APPZFPTMSA-N -1 0 353.356 -0.300 20 0 FBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000548992209 484830405 /nfs/dbraw/zinc/83/04/05/484830405.db2.gz FAUPVGAODFNXJO-CBAPKCEASA-N -1 0 353.356 -0.300 20 0 FBADRM C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000548992210 484830327 /nfs/dbraw/zinc/83/03/27/484830327.db2.gz FAUPVGAODFNXJO-IONNQARKSA-N -1 0 353.356 -0.300 20 0 FBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000548992211 484830286 /nfs/dbraw/zinc/83/02/86/484830286.db2.gz FAUPVGAODFNXJO-VXNVDRBHSA-N -1 0 353.356 -0.300 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2cccc3c2OCO3)C1 ZINC000549017087 484830909 /nfs/dbraw/zinc/83/09/09/484830909.db2.gz CBWPIZSINLEJQC-SECBINFHSA-N -1 0 356.356 -0.373 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2cccc3c2OCO3)C1 ZINC000549017094 484831154 /nfs/dbraw/zinc/83/11/54/484831154.db2.gz CBWPIZSINLEJQC-VIFPVBQESA-N -1 0 356.356 -0.373 20 0 FBADRM Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)NC[C@@](C)(O)CO)cn1 ZINC000549090826 484833662 /nfs/dbraw/zinc/83/36/62/484833662.db2.gz JALGTAUMQHFASG-CYBMUJFWSA-N -1 0 374.444 -0.245 20 0 FBADRM Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)NC[C@](C)(O)CO)cn1 ZINC000549090827 484833085 /nfs/dbraw/zinc/83/30/85/484833085.db2.gz JALGTAUMQHFASG-ZDUSSCGKSA-N -1 0 374.444 -0.245 20 0 FBADRM COc1cc(C(=O)NC[C@](C)(O)CO)cc([N-]S(C)(=O)=O)c1OC ZINC000549091741 484832951 /nfs/dbraw/zinc/83/29/51/484832951.db2.gz NCZMLYXZBAKZNR-AWEZNQCLSA-N -1 0 362.404 -0.452 20 0 FBADRM COc1cc(C(=O)NC[C@@](C)(O)CO)cc([N-]S(C)(=O)=O)c1OC ZINC000549091742 484833405 /nfs/dbraw/zinc/83/34/05/484833405.db2.gz NCZMLYXZBAKZNR-CQSZACIVSA-N -1 0 362.404 -0.452 20 0 FBADRM NC(=O)C(NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])C(N)=O ZINC000549172376 484834680 /nfs/dbraw/zinc/83/46/80/484834680.db2.gz ZATMOYOFDZVWHK-UHFFFAOYSA-N -1 0 371.275 -0.334 20 0 FBADRM CN(C)C(=O)Cn1ccc(=NC(=O)N=c2cc(-c3nccn3C)[n-][nH]2)[nH]1 ZINC000549186016 484834441 /nfs/dbraw/zinc/83/44/41/484834441.db2.gz VBEJJDPIAZGVDJ-UHFFFAOYSA-N -1 0 357.378 -0.417 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)C=C([O-])c2cnnn2C)cc1 ZINC000549439708 484839922 /nfs/dbraw/zinc/83/99/22/484839922.db2.gz FRIPDTUYSUTQCB-UHFFFAOYSA-N -1 0 372.428 -0.278 20 0 FBADRM O=c1[n-]c([C@@H]2CCCN(S(=O)(=O)CCCN3CCOCC3)C2)n[nH]1 ZINC000549448178 484839510 /nfs/dbraw/zinc/83/95/10/484839510.db2.gz LBBIIIYBDCDPOA-GFCCVEGCSA-N -1 0 359.452 -0.258 20 0 FBADRM O=c1[n-]c([C@H]2CCCN(S(=O)(=O)CCCN3CCOCC3)C2)n[nH]1 ZINC000549448179 484839974 /nfs/dbraw/zinc/83/99/74/484839974.db2.gz LBBIIIYBDCDPOA-LBPRGKRZSA-N -1 0 359.452 -0.258 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000549518752 484841069 /nfs/dbraw/zinc/84/10/69/484841069.db2.gz OZJQIFBULJQUFB-UHFFFAOYSA-N -1 0 361.449 -0.371 20 0 FBADRM COCCc1ccc(OC[C@H](O)CN2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000549531529 484841167 /nfs/dbraw/zinc/84/11/67/484841167.db2.gz DEIHKXDFCWAMBA-GDBMZVCRSA-N -1 0 363.414 -0.149 20 0 FBADRM COCCc1ccc(OC[C@@H](O)CN2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000549531531 484840981 /nfs/dbraw/zinc/84/09/81/484840981.db2.gz DEIHKXDFCWAMBA-GOEBONIOSA-N -1 0 363.414 -0.149 20 0 FBADRM COCCc1ccc(OC[C@@H](O)CN2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000549531532 484840852 /nfs/dbraw/zinc/84/08/52/484840852.db2.gz DEIHKXDFCWAMBA-HOCLYGCPSA-N -1 0 363.414 -0.149 20 0 FBADRM COCCc1ccc(OC[C@H](O)CN2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000549531533 484841595 /nfs/dbraw/zinc/84/15/95/484841595.db2.gz DEIHKXDFCWAMBA-ZBFHGGJFSA-N -1 0 363.414 -0.149 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cccc(C(=O)NC(N)=O)c2)cc1C(N)=O ZINC000549549449 484842285 /nfs/dbraw/zinc/84/22/85/484842285.db2.gz VKKZJNYZJNJNFR-UHFFFAOYSA-N -1 0 365.371 -0.267 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@H](Oc2ccccc2)C(=O)[O-])cc1C(N)=O ZINC000549550997 484842811 /nfs/dbraw/zinc/84/28/11/484842811.db2.gz JSXZSQIBCQYTQQ-ZDUSSCGKSA-N -1 0 367.383 -0.066 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)cn1 ZINC000549559648 484842269 /nfs/dbraw/zinc/84/22/69/484842269.db2.gz IDUULKWQRHFVNF-UHFFFAOYSA-N -1 0 370.391 -0.552 20 0 FBADRM O=c1[n-]c(C2CCN(S(=O)(=O)CCCN3CCOCC3)CC2)n[nH]1 ZINC000549559768 484843023 /nfs/dbraw/zinc/84/30/23/484843023.db2.gz JXTQPOYMUYVJCX-UHFFFAOYSA-N -1 0 359.452 -0.258 20 0 FBADRM CCCc1nc(=NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)s[n-]1 ZINC000549626150 484842675 /nfs/dbraw/zinc/84/26/75/484842675.db2.gz RRGGEYAPIKMLFL-NXEZZACHSA-N -1 0 372.472 -0.113 20 0 FBADRM CCCc1nc(=NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)s[n-]1 ZINC000549626151 484842096 /nfs/dbraw/zinc/84/20/96/484842096.db2.gz RRGGEYAPIKMLFL-UWVGGRQHSA-N -1 0 372.472 -0.113 20 0 FBADRM CCCc1nc(=NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)s[n-]1 ZINC000549626152 484842858 /nfs/dbraw/zinc/84/28/58/484842858.db2.gz RRGGEYAPIKMLFL-VHSXEESVSA-N -1 0 372.472 -0.113 20 0 FBADRM CCCc1nc(=NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)s[n-]1 ZINC000549626153 484843050 /nfs/dbraw/zinc/84/30/50/484843050.db2.gz RRGGEYAPIKMLFL-ZJUUUORDSA-N -1 0 372.472 -0.113 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)C1=O ZINC000549720835 484843461 /nfs/dbraw/zinc/84/34/61/484843461.db2.gz PWMXGXMYUKDDPY-INIZCTEOSA-N -1 0 362.390 -0.063 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)C1=O ZINC000549720843 484844027 /nfs/dbraw/zinc/84/40/27/484844027.db2.gz PWMXGXMYUKDDPY-MRXNPFEDSA-N -1 0 362.390 -0.063 20 0 FBADRM O=C(CSCC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)N1CCOCC1 ZINC000549763146 484845175 /nfs/dbraw/zinc/84/51/75/484845175.db2.gz IADJPZPLDJRNIH-LLVKDONJSA-N -1 0 369.447 -0.192 20 0 FBADRM O=C(CSCC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)N1CCOCC1 ZINC000549763151 484845220 /nfs/dbraw/zinc/84/52/20/484845220.db2.gz IADJPZPLDJRNIH-NSHDSACASA-N -1 0 369.447 -0.192 20 0 FBADRM CO[C@H](C)c1nc(=NC(=O)CNS(=O)(=O)c2cnn(C)c2)s[n-]1 ZINC000549772619 484846825 /nfs/dbraw/zinc/84/68/25/484846825.db2.gz HRAFBSNLRVGRRT-SSDOTTSWSA-N -1 0 360.421 -0.682 20 0 FBADRM CO[C@@H](C)c1nc(=NC(=O)CNS(=O)(=O)c2cnn(C)c2)s[n-]1 ZINC000549772623 484847070 /nfs/dbraw/zinc/84/70/70/484847070.db2.gz HRAFBSNLRVGRRT-ZETCQYMHSA-N -1 0 360.421 -0.682 20 0 FBADRM C[C@H](CS(C)(=O)=O)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000549774154 484846229 /nfs/dbraw/zinc/84/62/29/484846229.db2.gz HROVWZOQIKGCQI-MRVPVSSYSA-N -1 0 370.399 -0.208 20 0 FBADRM C[C@@H](CS(C)(=O)=O)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000549774163 484846299 /nfs/dbraw/zinc/84/62/99/484846299.db2.gz HROVWZOQIKGCQI-QMMMGPOBSA-N -1 0 370.399 -0.208 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000549848638 484849033 /nfs/dbraw/zinc/84/90/33/484849033.db2.gz RRIXDZAPNPBHAZ-GHMZBOCLSA-N -1 0 373.435 -0.038 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000549848639 484849740 /nfs/dbraw/zinc/84/97/40/484849740.db2.gz RRIXDZAPNPBHAZ-MNOVXSKESA-N -1 0 373.435 -0.038 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000549848640 484849218 /nfs/dbraw/zinc/84/92/18/484849218.db2.gz RRIXDZAPNPBHAZ-QWRGUYRKSA-N -1 0 373.435 -0.038 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000549848641 484849781 /nfs/dbraw/zinc/84/97/81/484849781.db2.gz RRIXDZAPNPBHAZ-WDEREUQCSA-N -1 0 373.435 -0.038 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC)C(=O)[O-] ZINC000549905835 484852740 /nfs/dbraw/zinc/85/27/40/484852740.db2.gz LWHIINBBVPUZTA-SECBINFHSA-N -1 0 367.401 -0.523 20 0 FBADRM COC[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC)C(=O)[O-] ZINC000549905836 484853142 /nfs/dbraw/zinc/85/31/42/484853142.db2.gz LWHIINBBVPUZTA-VIFPVBQESA-N -1 0 367.401 -0.523 20 0 FBADRM O=C([O-])[C@H](O)[C@@H](CC1CCCCC1)NS(=O)(=O)N1CCOCC1 ZINC000549911369 484852083 /nfs/dbraw/zinc/85/20/83/484852083.db2.gz NJTNPPLGJKZLRS-CHWSQXEVSA-N -1 0 350.437 -0.063 20 0 FBADRM O=C([O-])[C@@H](O)[C@@H](CC1CCCCC1)NS(=O)(=O)N1CCOCC1 ZINC000549911373 484852729 /nfs/dbraw/zinc/85/27/29/484852729.db2.gz NJTNPPLGJKZLRS-OLZOCXBDSA-N -1 0 350.437 -0.063 20 0 FBADRM O=C([O-])[C@H](O)[C@H](CC1CCCCC1)NS(=O)(=O)N1CCOCC1 ZINC000549911374 484852547 /nfs/dbraw/zinc/85/25/47/484852547.db2.gz NJTNPPLGJKZLRS-QWHCGFSZSA-N -1 0 350.437 -0.063 20 0 FBADRM O=C([O-])[C@@H](O)[C@H](CC1CCCCC1)NS(=O)(=O)N1CCOCC1 ZINC000549911375 484852503 /nfs/dbraw/zinc/85/25/03/484852503.db2.gz NJTNPPLGJKZLRS-STQMWFEESA-N -1 0 350.437 -0.063 20 0 FBADRM COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC[C@H](OC)C(=O)[O-] ZINC000549911803 484852274 /nfs/dbraw/zinc/85/22/74/484852274.db2.gz SHRXYCZIEKAKDU-JTQLQIEISA-N -1 0 367.401 -0.523 20 0 FBADRM COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC[C@@H](OC)C(=O)[O-] ZINC000549911804 484852799 /nfs/dbraw/zinc/85/27/99/484852799.db2.gz SHRXYCZIEKAKDU-SNVBAGLBSA-N -1 0 367.401 -0.523 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@H](Oc1ccccc1)C(=O)[O-] ZINC000549936078 484852881 /nfs/dbraw/zinc/85/28/81/484852881.db2.gz JGNKLDLXWNCNEA-LBPRGKRZSA-N -1 0 360.388 -0.152 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000549948461 484853058 /nfs/dbraw/zinc/85/30/58/484853058.db2.gz WPVHONURNGWFBG-UHFFFAOYSA-N -1 0 363.440 -0.471 20 0 FBADRM COCCn1cc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)cn1 ZINC000549948493 484853150 /nfs/dbraw/zinc/85/31/50/484853150.db2.gz YQTZDWJOUAUGIS-UHFFFAOYSA-N -1 0 356.408 -0.079 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NCCNC(=O)C1CC1 ZINC000550142665 484860052 /nfs/dbraw/zinc/86/00/52/484860052.db2.gz BCUPDRZLFCWCOU-UHFFFAOYSA-N -1 0 361.370 -0.115 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NC[C@]1(O)CCOC1 ZINC000550202302 484864526 /nfs/dbraw/zinc/86/45/26/484864526.db2.gz YRSPMVKTSHAGHV-CYBMUJFWSA-N -1 0 350.343 -0.489 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NC[C@@]1(O)CCOC1 ZINC000550202303 484864959 /nfs/dbraw/zinc/86/49/59/484864959.db2.gz YRSPMVKTSHAGHV-ZDUSSCGKSA-N -1 0 350.343 -0.489 20 0 FBADRM CC(C)(C)NC(=O)CNC(=O)CN1[N-]S(=O)(=O)c2ccccc2C1=O ZINC000550297578 484869497 /nfs/dbraw/zinc/86/94/97/484869497.db2.gz QYVNVKZWGVTIBE-UHFFFAOYSA-N -1 0 368.415 -0.633 20 0 FBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC000550389585 484876255 /nfs/dbraw/zinc/87/62/55/484876255.db2.gz BXERTUZVFUSFAO-UHFFFAOYSA-N -1 0 356.338 -0.075 20 0 FBADRM Cc1nc(=NC(=O)C(=O)NCCNc2ccc3ccccc3n2)[n-]n1C ZINC000550836974 484903524 /nfs/dbraw/zinc/90/35/24/484903524.db2.gz VLELMGNXQZMTDJ-UHFFFAOYSA-N -1 0 353.386 -0.318 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)cc1F ZINC000550935563 484908255 /nfs/dbraw/zinc/90/82/55/484908255.db2.gz RNNGGPAAJXEZOG-JTQLQIEISA-N -1 0 367.376 -0.297 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1F ZINC000550935564 484908521 /nfs/dbraw/zinc/90/85/21/484908521.db2.gz RNNGGPAAJXEZOG-SNVBAGLBSA-N -1 0 367.376 -0.297 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2C1=O ZINC000550940418 484908210 /nfs/dbraw/zinc/90/82/10/484908210.db2.gz YKDDTPWYACUBOK-LLVKDONJSA-N -1 0 354.340 -0.614 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)cc2C1=O ZINC000550940419 484908090 /nfs/dbraw/zinc/90/80/90/484908090.db2.gz YKDDTPWYACUBOK-NSHDSACASA-N -1 0 354.340 -0.614 20 0 FBADRM COC(=O)CCc1nnc([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)s1 ZINC000551017175 484911257 /nfs/dbraw/zinc/91/12/57/484911257.db2.gz BPUOYARXXYGDIV-SSDOTTSWSA-N -1 0 350.422 -0.138 20 0 FBADRM COC(=O)CCc1nnc([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)s1 ZINC000551017176 484911023 /nfs/dbraw/zinc/91/10/23/484911023.db2.gz BPUOYARXXYGDIV-ZETCQYMHSA-N -1 0 350.422 -0.138 20 0 FBADRM COCCN(C(=O)CSc1n[nH]c(=O)[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000551101718 484917947 /nfs/dbraw/zinc/91/79/47/484917947.db2.gz YYMANLMGNDLMIZ-MRVPVSSYSA-N -1 0 350.422 -0.736 20 0 FBADRM COCCN(C(=O)CSc1n[nH]c(=O)[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000551101724 484918796 /nfs/dbraw/zinc/91/87/96/484918796.db2.gz YYMANLMGNDLMIZ-QMMMGPOBSA-N -1 0 350.422 -0.736 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1)C(=O)[O-] ZINC000551203395 484927780 /nfs/dbraw/zinc/92/77/80/484927780.db2.gz QAYOAPDQSKCBFW-NSHDSACASA-N -1 0 355.372 -0.814 20 0 FBADRM CCS(=O)(=O)N(C)CCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000551228526 484928782 /nfs/dbraw/zinc/92/87/82/484928782.db2.gz GWTGLLGAMMRBDP-UHFFFAOYSA-N -1 0 367.449 -0.327 20 0 FBADRM CN(C)C(=O)CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000551292026 484932123 /nfs/dbraw/zinc/93/21/23/484932123.db2.gz BFSDWLGKZVOJIB-UHFFFAOYSA-N -1 0 357.388 -0.742 20 0 FBADRM COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000551311774 484932111 /nfs/dbraw/zinc/93/21/11/484932111.db2.gz WIURMHMLFHOWRU-LLVKDONJSA-N -1 0 359.356 -0.044 20 0 FBADRM COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000551311779 484932762 /nfs/dbraw/zinc/93/27/62/484932762.db2.gz WIURMHMLFHOWRU-NSHDSACASA-N -1 0 359.356 -0.044 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)s1 ZINC000551313215 484932947 /nfs/dbraw/zinc/93/29/47/484932947.db2.gz HXJQXKBMNRLIAM-LLVKDONJSA-N -1 0 362.429 -0.099 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)s1 ZINC000551313216 484931876 /nfs/dbraw/zinc/93/18/76/484931876.db2.gz HXJQXKBMNRLIAM-NSHDSACASA-N -1 0 362.429 -0.099 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1C(=O)N(C)C ZINC000551315900 484932880 /nfs/dbraw/zinc/93/28/80/484932880.db2.gz AIWHDYSSNMUVNY-CYBMUJFWSA-N -1 0 372.399 -0.129 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)cc1C(=O)N(C)C ZINC000551315902 484932322 /nfs/dbraw/zinc/93/23/22/484932322.db2.gz AIWHDYSSNMUVNY-ZDUSSCGKSA-N -1 0 372.399 -0.129 20 0 FBADRM CN(Cc1cnn(C)c1)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000551353351 484934399 /nfs/dbraw/zinc/93/43/99/484934399.db2.gz GHYZDPNDNDVOTI-UHFFFAOYSA-N -1 0 364.387 -0.412 20 0 FBADRM COc1ccc(S(N)(=O)=O)c([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)c1 ZINC000551385116 484935968 /nfs/dbraw/zinc/93/59/68/484935968.db2.gz FREKFQPIDINPFK-MRVPVSSYSA-N -1 0 365.433 -0.439 20 0 FBADRM COc1ccc(S(N)(=O)=O)c([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)c1 ZINC000551385117 484935570 /nfs/dbraw/zinc/93/55/70/484935570.db2.gz FREKFQPIDINPFK-QMMMGPOBSA-N -1 0 365.433 -0.439 20 0 FBADRM Cc1nn2c([n-]nc2SCC(=O)NCCCN2CCCC2=O)nc1=O ZINC000551426052 484937478 /nfs/dbraw/zinc/93/74/78/484937478.db2.gz VSJRPNBGMJYLPN-UHFFFAOYSA-N -1 0 365.419 -0.658 20 0 FBADRM CC(C)NC(=O)CN(C)CC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000551510353 484942994 /nfs/dbraw/zinc/94/29/94/484942994.db2.gz FBBKJRDBHCOJIY-UHFFFAOYSA-N -1 0 364.453 -0.696 20 0 FBADRM CCCCS(=O)(=O)NCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000551524454 484944196 /nfs/dbraw/zinc/94/41/96/484944196.db2.gz LGCDBAIGMODYAG-UHFFFAOYSA-N -1 0 371.466 -0.432 20 0 FBADRM CN(C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000551586616 484947401 /nfs/dbraw/zinc/94/74/01/484947401.db2.gz HJBVMADTMIHBTQ-UWVGGRQHSA-N -1 0 364.420 0.000 20 0 FBADRM CN(C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000551586617 484947284 /nfs/dbraw/zinc/94/72/84/484947284.db2.gz HJBVMADTMIHBTQ-ZJUUUORDSA-N -1 0 364.420 0.000 20 0 FBADRM CN(C(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000551590283 484947572 /nfs/dbraw/zinc/94/75/72/484947572.db2.gz XIKWIXRPSDKVAA-GRYCIOLGSA-N -1 0 373.431 -0.767 20 0 FBADRM CN(C(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000551590284 484947372 /nfs/dbraw/zinc/94/73/72/484947372.db2.gz XIKWIXRPSDKVAA-SDDRHHMPSA-N -1 0 373.431 -0.767 20 0 FBADRM CN(C(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000551590285 484947141 /nfs/dbraw/zinc/94/71/41/484947141.db2.gz XIKWIXRPSDKVAA-SRVKXCTJSA-N -1 0 373.431 -0.767 20 0 FBADRM CN(C(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000551590286 484947912 /nfs/dbraw/zinc/94/79/12/484947912.db2.gz XIKWIXRPSDKVAA-WOPDTQHZSA-N -1 0 373.431 -0.767 20 0 FBADRM Cc1cc(C)n(C[C@H](NC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C(=O)[O-])n1 ZINC000551592585 484947839 /nfs/dbraw/zinc/94/78/39/484947839.db2.gz LGPYHLGOSGSCQY-NEPJUHHUSA-N -1 0 358.420 -0.218 20 0 FBADRM Cc1cc(C)n(C[C@@H](NC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C(=O)[O-])n1 ZINC000551592586 484947972 /nfs/dbraw/zinc/94/79/72/484947972.db2.gz LGPYHLGOSGSCQY-NWDGAFQWSA-N -1 0 358.420 -0.218 20 0 FBADRM Cc1cc(C)n(C[C@H](NC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C(=O)[O-])n1 ZINC000551592587 484947743 /nfs/dbraw/zinc/94/77/43/484947743.db2.gz LGPYHLGOSGSCQY-RYUDHWBXSA-N -1 0 358.420 -0.218 20 0 FBADRM Cc1cc(C)n(C[C@@H](NC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C(=O)[O-])n1 ZINC000551592588 484947880 /nfs/dbraw/zinc/94/78/80/484947880.db2.gz LGPYHLGOSGSCQY-VXGBXAGGSA-N -1 0 358.420 -0.218 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C ZINC000551592889 484947445 /nfs/dbraw/zinc/94/74/45/484947445.db2.gz QDLFJVQBARWCRZ-KOLCDFICSA-N -1 0 354.425 -0.028 20 0 FBADRM C[C@@H](OC(C)(C)C)[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000551597831 484948019 /nfs/dbraw/zinc/94/80/19/484948019.db2.gz YFBLOXBHNYKXKS-ZJUUUORDSA-N -1 0 359.466 -0.003 20 0 FBADRM COC(=O)c1cn(CCNS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)nn1 ZINC000551616409 484948694 /nfs/dbraw/zinc/94/86/94/484948694.db2.gz FXCIYXSSVZPDHI-UHFFFAOYSA-N -1 0 372.334 -0.120 20 0 FBADRM COC(=O)c1cn(CCNS(=O)(=O)c2ccc(C(=O)[O-])cc2)nn1 ZINC000551620071 484948479 /nfs/dbraw/zinc/94/84/79/484948479.db2.gz QSHCUJCPBCLJJW-UHFFFAOYSA-N -1 0 354.344 -0.259 20 0 FBADRM Cn1nccc1[C@H]1[C@@H](C(=O)N2CCC[C@H](c3nnn[n-]3)C2)CC(=O)N1C ZINC000551903197 484962529 /nfs/dbraw/zinc/96/25/29/484962529.db2.gz BJPZIDNQCSBXHN-COPLHBTASA-N -1 0 358.406 -0.141 20 0 FBADRM Cn1nccc1[C@@H]1[C@@H](C(=O)N2CCC[C@H](c3nnn[n-]3)C2)CC(=O)N1C ZINC000551903201 484962306 /nfs/dbraw/zinc/96/23/06/484962306.db2.gz BJPZIDNQCSBXHN-MJVIPROJSA-N -1 0 358.406 -0.141 20 0 FBADRM Cn1nccc1[C@@H]1[C@@H](C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)CC(=O)N1C ZINC000551903202 484962642 /nfs/dbraw/zinc/96/26/42/484962642.db2.gz BJPZIDNQCSBXHN-SUNKGSAMSA-N -1 0 358.406 -0.141 20 0 FBADRM Cn1nccc1[C@H]1[C@@H](C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)CC(=O)N1C ZINC000551903204 484961851 /nfs/dbraw/zinc/96/18/51/484961851.db2.gz BJPZIDNQCSBXHN-UHIISALHSA-N -1 0 358.406 -0.141 20 0 FBADRM Cn1ccnc1[C@H]1[C@H](CNS(=O)(=O)[N-]CC(F)(F)F)CC(=O)N1C ZINC000551903668 484961818 /nfs/dbraw/zinc/96/18/18/484961818.db2.gz QIXRDNNBEAVLPU-WCBMZHEXSA-N -1 0 369.369 -0.074 20 0 FBADRM CNC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1OC ZINC000551910627 484961928 /nfs/dbraw/zinc/96/19/28/484961928.db2.gz BQVFXBYIBLMIPC-QMMMGPOBSA-N -1 0 366.779 -0.568 20 0 FBADRM CCOC(=O)Cc1cccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000551910718 484961996 /nfs/dbraw/zinc/96/19/96/484961996.db2.gz LPMRGYKGBNEOGM-NSHDSACASA-N -1 0 358.372 -0.601 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])c1 ZINC000551910776 484962150 /nfs/dbraw/zinc/96/21/50/484962150.db2.gz SNEDFQCWLCEELF-GFCCVEGCSA-N -1 0 360.388 -0.559 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)NC[C@H](OC)C(=O)[O-])c1 ZINC000551910777 484962271 /nfs/dbraw/zinc/96/22/71/484962271.db2.gz SNEDFQCWLCEELF-LBPRGKRZSA-N -1 0 360.388 -0.559 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000551911351 484962768 /nfs/dbraw/zinc/96/27/68/484962768.db2.gz LHZHTGJSNRCANI-SSDOTTSWSA-N -1 0 350.315 -0.031 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)(F)F ZINC000551911352 484962484 /nfs/dbraw/zinc/96/24/84/484962484.db2.gz LHZHTGJSNRCANI-ZETCQYMHSA-N -1 0 350.315 -0.031 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000551912119 484962470 /nfs/dbraw/zinc/96/24/70/484962470.db2.gz LHHXGTPSKPORFG-SSDOTTSWSA-N -1 0 370.371 -0.502 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NC[C@H](CC(=O)[O-])C(F)(F)F ZINC000551912120 484962753 /nfs/dbraw/zinc/96/27/53/484962753.db2.gz LHHXGTPSKPORFG-ZETCQYMHSA-N -1 0 370.371 -0.502 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCC(C)(C)C2)c(=O)n(C)c1=O ZINC000551914976 484962674 /nfs/dbraw/zinc/96/26/74/484962674.db2.gz DWKJKXIUNCJPKM-AWEZNQCLSA-N -1 0 359.404 -0.604 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@]2(C(=O)[O-])CCC(C)(C)C2)c(=O)n(C)c1=O ZINC000551914977 484962744 /nfs/dbraw/zinc/96/27/44/484962744.db2.gz DWKJKXIUNCJPKM-CQSZACIVSA-N -1 0 359.404 -0.604 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@]1(C(=O)[O-])CCC(C)(C)C1 ZINC000551915359 484962024 /nfs/dbraw/zinc/96/20/24/484962024.db2.gz JORLYJNIGPYKPM-GFCCVEGCSA-N -1 0 356.466 -0.121 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@]1(C(=O)[O-])CCC(C)(C)C1 ZINC000551915360 484962086 /nfs/dbraw/zinc/96/20/86/484962086.db2.gz JORLYJNIGPYKPM-LBPRGKRZSA-N -1 0 356.466 -0.121 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000551931655 484963446 /nfs/dbraw/zinc/96/34/46/484963446.db2.gz UWXCDTCFFXLIKJ-UHFFFAOYSA-N -1 0 361.424 -0.828 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]c1ccn(CC(=O)N2CCOCC2)n1 ZINC000551935598 484963308 /nfs/dbraw/zinc/96/33/08/484963308.db2.gz HQBYASOCDSHVFI-UHFFFAOYSA-N -1 0 368.419 -0.415 20 0 FBADRM CCOC(=O)Cc1cccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c1 ZINC000551995721 484968763 /nfs/dbraw/zinc/96/87/63/484968763.db2.gz DYPKJMPLNLCZNL-GFCCVEGCSA-N -1 0 372.399 -0.211 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)(F)F)c(=O)n(C)c1=O ZINC000551995815 484968158 /nfs/dbraw/zinc/96/81/58/484968158.db2.gz PKKRSRDSQNQZED-LURJTMIESA-N -1 0 373.309 -0.985 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)(F)F)c(=O)n(C)c1=O ZINC000551995816 484967970 /nfs/dbraw/zinc/96/79/70/484967970.db2.gz PKKRSRDSQNQZED-ZCFIWIBFSA-N -1 0 373.309 -0.985 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCC3(C(=O)[O-])CCC3)cnc21 ZINC000551996213 484968729 /nfs/dbraw/zinc/96/87/29/484968729.db2.gz WABXYCPZVIXGDM-UHFFFAOYSA-N -1 0 368.371 -0.433 20 0 FBADRM COCCNC(=O)CNS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000552020960 484970334 /nfs/dbraw/zinc/97/03/34/484970334.db2.gz ZDBJDJNXRFSZRV-UHFFFAOYSA-N -1 0 374.371 -0.803 20 0 FBADRM NS(=O)(=O)CCOCCNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000552026390 484969424 /nfs/dbraw/zinc/96/94/24/484969424.db2.gz LJTCRNSEOBIZHF-UHFFFAOYSA-N -1 0 372.378 -0.248 20 0 FBADRM Cn1c2c(ccn2CC(=O)NC2CCC(C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000552116787 484972170 /nfs/dbraw/zinc/97/21/70/484972170.db2.gz PMEQQXFTMYGIAE-UHFFFAOYSA-N -1 0 362.386 -0.202 20 0 FBADRM CC(C)[C@@H](O)C(=O)NC1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000552183452 484975934 /nfs/dbraw/zinc/97/59/34/484975934.db2.gz FDXDAOIPJBXOEE-SNVBAGLBSA-N -1 0 361.386 -0.019 20 0 FBADRM CC(C)[C@@H](O)C(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000552183736 484975803 /nfs/dbraw/zinc/97/58/03/484975803.db2.gz SDMWHVMUKUWXRN-SNVBAGLBSA-N -1 0 361.386 -0.019 20 0 FBADRM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CC[C@@](O)(C(N)=O)C1 ZINC000552187334 484977270 /nfs/dbraw/zinc/97/72/70/484977270.db2.gz PZGVTXAPNAVEMO-HNNXBMFYSA-N -1 0 355.416 -0.099 20 0 FBADRM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CC[C@](O)(C(N)=O)C1 ZINC000552187335 484977887 /nfs/dbraw/zinc/97/78/87/484977887.db2.gz PZGVTXAPNAVEMO-OAHLLOKOSA-N -1 0 355.416 -0.099 20 0 FBADRM CC(C)(O)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1nccs1 ZINC000552423583 484985192 /nfs/dbraw/zinc/98/51/92/484985192.db2.gz LYMOAKKCOFUVLQ-UHFFFAOYSA-N -1 0 357.479 -0.035 20 0 FBADRM COCCNS(=O)(=O)CCCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000552423753 484984923 /nfs/dbraw/zinc/98/49/23/484984923.db2.gz SSYJMUXFLLMACY-UHFFFAOYSA-N -1 0 354.454 -0.492 20 0 FBADRM COC(=O)COc1ccc(S(=O)(=O)[N-]c2nc3ncccn3n2)cc1 ZINC000552442319 484254312 /nfs/dbraw/zinc/25/43/12/484254312.db2.gz SWIFZVGMMCMJHQ-UHFFFAOYSA-N -1 0 363.355 0.477 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCCc2nnc(N)o2)c1 ZINC000552492370 484496106 /nfs/dbraw/zinc/49/61/06/484496106.db2.gz FIVUSXFGKYTDQF-UHFFFAOYSA-N -1 0 355.376 -0.420 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)c1 ZINC000552629778 485000249 /nfs/dbraw/zinc/00/02/49/485000249.db2.gz PBGXPVCKPSFMAC-UHFFFAOYSA-N -1 0 363.359 -0.340 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)c2cnc([O-])n(C)c2=O)ccc1F ZINC000552731559 485004429 /nfs/dbraw/zinc/00/44/29/485004429.db2.gz KPXDCWNTVHLIQV-UHFFFAOYSA-N -1 0 356.335 -0.215 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)(C)O)n1 ZINC000552770614 485005902 /nfs/dbraw/zinc/00/59/02/485005902.db2.gz AVORBFIWZZXHGE-UHFFFAOYSA-N -1 0 354.454 -0.758 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N(C)[C@@H]2CCN(C)C2=O)c1 ZINC000552967553 485019244 /nfs/dbraw/zinc/01/92/44/485019244.db2.gz WTVGECACCXXGQC-GFCCVEGCSA-N -1 0 355.416 -0.055 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N(C)[C@H]2CCN(C)C2=O)c1 ZINC000552967554 485019888 /nfs/dbraw/zinc/01/98/88/485019888.db2.gz WTVGECACCXXGQC-LBPRGKRZSA-N -1 0 355.416 -0.055 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CCN(S(C)(=O)=O)CC2)c1 ZINC000552968872 485020352 /nfs/dbraw/zinc/02/03/52/485020352.db2.gz AVXYHGHNSUDIGE-JOCHJYFZSA-N -1 0 360.457 -0.093 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CCN(S(C)(=O)=O)CC2)c1 ZINC000552968873 485020630 /nfs/dbraw/zinc/02/06/30/485020630.db2.gz AVXYHGHNSUDIGE-QFIPXVFZSA-N -1 0 360.457 -0.093 20 0 FBADRM COC(=O)[C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000552972909 485020540 /nfs/dbraw/zinc/02/05/40/485020540.db2.gz XDZOQJJVULCUBU-YPMHNXCESA-N -1 0 365.386 -0.084 20 0 FBADRM CN(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@@H]1COC[C@H]1O ZINC000553080347 485024788 /nfs/dbraw/zinc/02/47/88/485024788.db2.gz FOHPBXLMROAHBT-GHMZBOCLSA-N -1 0 350.343 -0.539 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1c[n-]n2c1nccc2=O ZINC000553086460 485026830 /nfs/dbraw/zinc/02/68/30/485026830.db2.gz VPXGGWGVXMWTSE-CMPLNLGQSA-N -1 0 367.431 -0.140 20 0 FBADRM CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1c[n-]n2c1nccc2=O ZINC000553086461 485026916 /nfs/dbraw/zinc/02/69/16/485026916.db2.gz VPXGGWGVXMWTSE-JQWIXIFHSA-N -1 0 367.431 -0.140 20 0 FBADRM CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1c[n-]n2c1nccc2=O ZINC000553086462 485026643 /nfs/dbraw/zinc/02/66/43/485026643.db2.gz VPXGGWGVXMWTSE-PWSUYJOCSA-N -1 0 367.431 -0.140 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1c[n-]n2c1nccc2=O ZINC000553086463 485025851 /nfs/dbraw/zinc/02/58/51/485025851.db2.gz VPXGGWGVXMWTSE-ZYHUDNBSSA-N -1 0 367.431 -0.140 20 0 FBADRM Nc1nc(C(=O)N=c2ncn(C3CCCCC3)[n-]2)nc(N2CCOCC2)n1 ZINC000553221930 484556009 /nfs/dbraw/zinc/55/60/09/484556009.db2.gz VTYOLKBAUVTUEA-UHFFFAOYSA-N -1 0 373.421 0.061 20 0 FBADRM CCCCc1n[n-]c(=NC(=O)c2nc(N)nc(N3CCOCC3)n2)s1 ZINC000553254677 484526232 /nfs/dbraw/zinc/52/62/32/484526232.db2.gz NUIJDRQBGURBFF-UHFFFAOYSA-N -1 0 364.435 0.159 20 0 FBADRM CC(C)Cc1n[n-]c(=NC(=O)c2nc(N)nc(N3CCOCC3)n2)s1 ZINC000553256835 484510618 /nfs/dbraw/zinc/51/06/18/484510618.db2.gz NWHOLQWTSQOCHJ-UHFFFAOYSA-N -1 0 364.435 0.015 20 0 FBADRM CN(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@@H]1CCN(C)C1=O ZINC000553300443 485040790 /nfs/dbraw/zinc/04/07/90/485040790.db2.gz LRGQMMMEFPEJFW-LLVKDONJSA-N -1 0 361.370 -0.068 20 0 FBADRM CN(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@H]1CCN(C)C1=O ZINC000553300444 485040994 /nfs/dbraw/zinc/04/09/94/485040994.db2.gz LRGQMMMEFPEJFW-NSHDSACASA-N -1 0 361.370 -0.068 20 0 FBADRM COC(=O)[C@H](CF)[N-]S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000553570516 485055002 /nfs/dbraw/zinc/05/50/02/485055002.db2.gz XRIMODIGKQAJEW-JTQLQIEISA-N -1 0 360.429 -0.912 20 0 FBADRM COC(=O)[C@@H](CF)[N-]S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000553570517 485054226 /nfs/dbraw/zinc/05/42/26/485054226.db2.gz XRIMODIGKQAJEW-SNVBAGLBSA-N -1 0 360.429 -0.912 20 0 FBADRM CN1CCN(C(=O)c2cccc(C(=O)N3CCN(C)C(=O)C3)c2[O-])CC1=O ZINC000553650862 485058717 /nfs/dbraw/zinc/05/87/17/485058717.db2.gz AYFUZPGPKXQNFJ-UHFFFAOYSA-N -1 0 374.397 -0.779 20 0 FBADRM O=C([O-])c1cccc(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 ZINC000553818941 485066311 /nfs/dbraw/zinc/06/63/11/485066311.db2.gz HFWURUOHKIJWTI-UHFFFAOYSA-N -1 0 361.398 -0.112 20 0 FBADRM Cc1nc(S(=O)(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cn1C ZINC000553885562 485069351 /nfs/dbraw/zinc/06/93/51/485069351.db2.gz CONZQPSDGCEUJI-LLVKDONJSA-N -1 0 365.481 -0.722 20 0 FBADRM O=C([O-])CN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)C1CCOCC1 ZINC000554100269 485077993 /nfs/dbraw/zinc/07/79/93/485077993.db2.gz KGZGNPMPUXIPSA-UHFFFAOYSA-N -1 0 353.375 -0.057 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)NC1(C(=O)[O-])CCSCC1)c2=O ZINC000554100391 485077560 /nfs/dbraw/zinc/07/75/60/485077560.db2.gz NZBFKWDEMSGXJD-UHFFFAOYSA-N -1 0 351.388 -0.403 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NC[C@H]1CC[C@@H](CO)O1 ZINC000554250604 485084123 /nfs/dbraw/zinc/08/41/23/485084123.db2.gz JQGNXTNWMUUTES-ZJUUUORDSA-N -1 0 364.370 -0.101 20 0 FBADRM COC(=O)[C@H](CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)OC ZINC000554320582 485086378 /nfs/dbraw/zinc/08/63/78/485086378.db2.gz ACOYGMZNUZPVFR-JTQLQIEISA-N -1 0 366.342 -0.453 20 0 FBADRM COC(=O)[C@@H](CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)OC ZINC000554320583 485086412 /nfs/dbraw/zinc/08/64/12/485086412.db2.gz ACOYGMZNUZPVFR-SNVBAGLBSA-N -1 0 366.342 -0.453 20 0 FBADRM CS(=O)(=O)NCCNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000554386141 485089897 /nfs/dbraw/zinc/08/98/97/485089897.db2.gz PTWVGPKMTJDKNF-UHFFFAOYSA-N -1 0 356.809 -0.134 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)cc1C(=O)[O-] ZINC000554423843 485091253 /nfs/dbraw/zinc/09/12/53/485091253.db2.gz JPLDTYMNICJEHT-UHFFFAOYSA-N -1 0 365.433 -0.621 20 0 FBADRM CCN(C)C(=O)c1cccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000554430462 485091584 /nfs/dbraw/zinc/09/15/84/485091584.db2.gz MPJIDQZIHFKGFC-UHFFFAOYSA-N -1 0 357.388 -0.742 20 0 FBADRM CCN(C)C(=O)c1cccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000554430511 485091403 /nfs/dbraw/zinc/09/14/03/485091403.db2.gz YDPIRRNAFYMGBJ-NSHDSACASA-N -1 0 357.388 -0.615 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)CSc3n[nH]c(=O)[n-]3)CC2)nc1 ZINC000554501274 485094545 /nfs/dbraw/zinc/09/45/45/485094545.db2.gz HPNVYCRDZPWZGQ-UHFFFAOYSA-N -1 0 363.403 -0.555 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(N)=O)c(=O)n(C)c1=O ZINC000554501801 485093884 /nfs/dbraw/zinc/09/38/84/485093884.db2.gz KHOIMSUDJMGQRA-UHFFFAOYSA-N -1 0 372.790 -0.363 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCCCCC[C@@H]1C(=O)[O-] ZINC000554531986 485095887 /nfs/dbraw/zinc/09/58/87/485095887.db2.gz GCHDPDZJGIMWIS-LLVKDONJSA-N -1 0 356.466 -0.025 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCCCCC[C@H]1C(=O)[O-] ZINC000554531987 485095713 /nfs/dbraw/zinc/09/57/13/485095713.db2.gz GCHDPDZJGIMWIS-NSHDSACASA-N -1 0 356.466 -0.025 20 0 FBADRM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000554537923 485095570 /nfs/dbraw/zinc/09/55/70/485095570.db2.gz KYZLFHKUTGYQIY-KWQFWETISA-N -1 0 358.347 -0.081 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(O)(C(C)(C)C(=O)[O-])CC2)cc1C(N)=O ZINC000554538533 485095882 /nfs/dbraw/zinc/09/58/82/485095882.db2.gz NTDNOHQOQCIUNG-UHFFFAOYSA-N -1 0 373.431 -0.250 20 0 FBADRM O=C([O-])[C@]1(NS(=O)(=O)c2ccccc2Cn2cncn2)CCOC1 ZINC000554539251 485095976 /nfs/dbraw/zinc/09/59/76/485095976.db2.gz GVLGVOPTEGJLHA-AWEZNQCLSA-N -1 0 352.372 -0.152 20 0 FBADRM O=C([O-])[C@@]1(NS(=O)(=O)c2ccccc2Cn2cncn2)CCOC1 ZINC000554539252 485095622 /nfs/dbraw/zinc/09/56/22/485095622.db2.gz GVLGVOPTEGJLHA-CQSZACIVSA-N -1 0 352.372 -0.152 20 0 FBADRM CC(=O)NCCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000554545671 485095717 /nfs/dbraw/zinc/09/57/17/485095717.db2.gz DPEZLUUPCMTMEB-UHFFFAOYSA-N -1 0 357.388 -0.695 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)c1 ZINC000554749224 485103309 /nfs/dbraw/zinc/10/33/09/485103309.db2.gz RWMDHJKLBYRXGQ-UHFFFAOYSA-N -1 0 372.428 -0.037 20 0 FBADRM COCCn1cc(S(=O)(=O)N2CCc3onc(C(=O)[O-])c3C2)cn1 ZINC000554785176 485103006 /nfs/dbraw/zinc/10/30/06/485103006.db2.gz GXVZCSCZQFFJBI-UHFFFAOYSA-N -1 0 356.360 -0.037 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CO)C(=O)OC ZINC000554810898 485104962 /nfs/dbraw/zinc/10/49/62/485104962.db2.gz SIKGDZNJJPNICW-BQBZGAKWSA-N -1 0 351.299 -0.676 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CO)C(=O)OC ZINC000554810899 485105087 /nfs/dbraw/zinc/10/50/87/485105087.db2.gz SIKGDZNJJPNICW-NKWVEPMBSA-N -1 0 351.299 -0.676 20 0 FBADRM CNS(=O)(=O)c1cccc(C[N-]S(=O)(=O)c2c(C)onc2N)c1 ZINC000554896668 484522352 /nfs/dbraw/zinc/52/23/52/484522352.db2.gz WFQOHWQPBJAQKL-UHFFFAOYSA-N -1 0 360.417 -0.048 20 0 FBADRM CO[C@@H](C)c1nc(=NC(=O)NCCC(=O)N2CCN(C)CC2)s[n-]1 ZINC000554920518 485108594 /nfs/dbraw/zinc/10/85/94/485108594.db2.gz VVJSERFBIMSQNM-JTQLQIEISA-N -1 0 356.452 -0.047 20 0 FBADRM CO[C@H](C)c1nc(=NC(=O)NCCC(=O)N2CCN(C)CC2)s[n-]1 ZINC000554920521 485109049 /nfs/dbraw/zinc/10/90/49/485109049.db2.gz VVJSERFBIMSQNM-SNVBAGLBSA-N -1 0 356.452 -0.047 20 0 FBADRM Cc1cc(NC(=O)CSCC(=O)N(C)C[C@@H](C)c2nnn[n-]2)no1 ZINC000554960266 484304116 /nfs/dbraw/zinc/30/41/16/484304116.db2.gz KXDKDWSHFFZLGN-MRVPVSSYSA-N -1 0 353.408 0.430 20 0 FBADRM Cc1cc(NC(=O)CSCC(=O)N(C)C[C@H](C)c2nnn[n-]2)no1 ZINC000554960267 484303324 /nfs/dbraw/zinc/30/33/24/484303324.db2.gz KXDKDWSHFFZLGN-QMMMGPOBSA-N -1 0 353.408 0.430 20 0 FBADRM NC(=O)CCNC(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC000554971112 485110332 /nfs/dbraw/zinc/11/03/32/485110332.db2.gz KVJIVGCZECSGDK-UHFFFAOYSA-N -1 0 370.250 -0.220 20 0 FBADRM CNC(=O)Cn1cc(NC(=O)CNS(=O)(=O)c2ccccc2F)cn1 ZINC000554983186 485109779 /nfs/dbraw/zinc/10/97/79/485109779.db2.gz YOHZXGTUEVRZHA-UHFFFAOYSA-N -1 0 369.378 -0.315 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NCC1(O)CCOCC1 ZINC000555047377 485110280 /nfs/dbraw/zinc/11/02/80/485110280.db2.gz VUBOECAVPNSVKR-UHFFFAOYSA-N -1 0 364.370 -0.099 20 0 FBADRM CCOC[C@H](NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)[O-] ZINC000555124203 485112597 /nfs/dbraw/zinc/11/25/97/485112597.db2.gz LKYBRECVSBUQGC-ZDUSSCGKSA-N -1 0 356.400 -0.080 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(C)nc3ncnn32)cn1 ZINC000555139637 485112528 /nfs/dbraw/zinc/11/25/28/485112528.db2.gz GYPGPQOKZHVIGA-UHFFFAOYSA-N -1 0 351.348 -0.397 20 0 FBADRM CCOC[C@@H](NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)[O-] ZINC000555218809 485113734 /nfs/dbraw/zinc/11/37/34/485113734.db2.gz LKYBRECVSBUQGC-CYBMUJFWSA-N -1 0 356.400 -0.080 20 0 FBADRM CCOC[C@@H](NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)[O-] ZINC000555221824 485113362 /nfs/dbraw/zinc/11/33/62/485113362.db2.gz YUIRYIPVNSSALC-GFCCVEGCSA-N -1 0 365.429 -0.001 20 0 FBADRM CN(C)c1nc(C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)cc(=O)[nH]1 ZINC000555244162 485113775 /nfs/dbraw/zinc/11/37/75/485113775.db2.gz CGZKZXVAMSLHPZ-LLVKDONJSA-N -1 0 373.417 -0.097 20 0 FBADRM CN(C)c1nc(C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)cc(=O)[nH]1 ZINC000555244163 485113977 /nfs/dbraw/zinc/11/39/77/485113977.db2.gz CGZKZXVAMSLHPZ-NSHDSACASA-N -1 0 373.417 -0.097 20 0 FBADRM CN(C)c1nc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(C)CC2)cc(=O)[nH]1 ZINC000555255421 485113540 /nfs/dbraw/zinc/11/35/40/485113540.db2.gz KCCHGBGODKCHQB-CYBMUJFWSA-N -1 0 362.434 -0.373 20 0 FBADRM CN(C)c1nc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C)CC2)cc(=O)[nH]1 ZINC000555255422 485113715 /nfs/dbraw/zinc/11/37/15/485113715.db2.gz KCCHGBGODKCHQB-ZDUSSCGKSA-N -1 0 362.434 -0.373 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000555316527 485115123 /nfs/dbraw/zinc/11/51/23/485115123.db2.gz DDAQHYZYWHPDGZ-MRVPVSSYSA-N -1 0 352.438 -0.438 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000555316528 485114776 /nfs/dbraw/zinc/11/47/76/485114776.db2.gz DDAQHYZYWHPDGZ-QMMMGPOBSA-N -1 0 352.438 -0.438 20 0 FBADRM COC[C@H](O)CNC(=O)C(=O)N=c1nc(-c2cccc(OC)c2)[n-]s1 ZINC000555319028 485115008 /nfs/dbraw/zinc/11/50/08/485115008.db2.gz XKMJWBTWOBIEHC-SNVBAGLBSA-N -1 0 366.399 -0.302 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1ccccc1S(C)(=O)=O)CC(=O)[O-] ZINC000555337067 485115163 /nfs/dbraw/zinc/11/51/63/485115163.db2.gz LZPOBKNQSQSFOH-SECBINFHSA-N -1 0 351.402 -0.142 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1ccccc1S(C)(=O)=O)CC(=O)[O-] ZINC000555337068 485114937 /nfs/dbraw/zinc/11/49/37/485114937.db2.gz LZPOBKNQSQSFOH-VIFPVBQESA-N -1 0 351.402 -0.142 20 0 FBADRM COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCOCC(=O)[O-] ZINC000555407375 485115875 /nfs/dbraw/zinc/11/58/75/485115875.db2.gz AXJNUWUWIGOEJB-UHFFFAOYSA-N -1 0 367.401 -0.522 20 0 FBADRM CN(C)c1cccc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000555407399 485116170 /nfs/dbraw/zinc/11/61/70/485116170.db2.gz BUTAYJATIFTKCK-LLVKDONJSA-N -1 0 355.416 -0.036 20 0 FBADRM CN(C)c1cccc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000555407400 485116211 /nfs/dbraw/zinc/11/62/11/485116211.db2.gz BUTAYJATIFTKCK-NSHDSACASA-N -1 0 355.416 -0.036 20 0 FBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000555456049 485116955 /nfs/dbraw/zinc/11/69/55/485116955.db2.gz IMAWRWYJYJBOSU-UHFFFAOYSA-N -1 0 356.338 -0.075 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)cn1 ZINC000555530204 485117030 /nfs/dbraw/zinc/11/70/30/485117030.db2.gz MKXOBGJYRQOCFS-UHFFFAOYSA-N -1 0 358.405 -0.155 20 0 FBADRM COc1ccnc(N2CCN(C(=O)c3c[n-]n4c3nccc4=O)CC2)n1 ZINC000555549044 485117803 /nfs/dbraw/zinc/11/78/03/485117803.db2.gz PIXGXGUKLWYBDC-UHFFFAOYSA-N -1 0 355.358 -0.216 20 0 FBADRM COCCNC(=O)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000555558775 485119465 /nfs/dbraw/zinc/11/94/65/485119465.db2.gz UVRSQDATBMHMSE-UHFFFAOYSA-N -1 0 365.358 -0.878 20 0 FBADRM NC(=O)Cn1cc(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)cn1 ZINC000555559516 485119325 /nfs/dbraw/zinc/11/93/25/485119325.db2.gz OOVUGTLLYNGKAL-UHFFFAOYSA-N -1 0 373.341 -0.436 20 0 FBADRM O=C([O-])CSCC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000555577517 485121272 /nfs/dbraw/zinc/12/12/72/485121272.db2.gz FAJINXVBXSVKEE-UHFFFAOYSA-N -1 0 359.429 -0.268 20 0 FBADRM CN(C)C(=O)NCCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000555579869 485121681 /nfs/dbraw/zinc/12/16/81/485121681.db2.gz HPSVEASDFYMWTM-UHFFFAOYSA-N -1 0 364.374 -0.370 20 0 FBADRM CNS(=O)(=O)NCC(=O)N=c1nc(-c2cccc(OC)c2)[n-]s1 ZINC000555595096 485121602 /nfs/dbraw/zinc/12/16/02/485121602.db2.gz XPILWUKZIQLDQD-UHFFFAOYSA-N -1 0 357.417 -0.372 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])CCCCC1 ZINC000555629574 485123441 /nfs/dbraw/zinc/12/34/41/485123441.db2.gz OCICFJMWSDXWKV-JTQLQIEISA-N -1 0 364.420 -0.252 20 0 FBADRM O=C([O-])c1ccc(C(=O)NCCNS(=O)(=O)Cc2ccon2)nc1 ZINC000555726499 485127818 /nfs/dbraw/zinc/12/78/18/485127818.db2.gz OPKZAXREYFXUCX-UHFFFAOYSA-N -1 0 354.344 -0.383 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2cncc(C(=O)OC)c2)n1 ZINC000555780597 485129883 /nfs/dbraw/zinc/12/98/83/485129883.db2.gz SZJBFKKOODOIMQ-UHFFFAOYSA-N -1 0 355.332 -0.567 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000555825930 485131577 /nfs/dbraw/zinc/13/15/77/485131577.db2.gz YPCQLCNZOODCOF-GXTWGEPZSA-N -1 0 366.436 -0.751 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000555825975 485131278 /nfs/dbraw/zinc/13/12/78/485131278.db2.gz YPCQLCNZOODCOF-JSGCOSHPSA-N -1 0 366.436 -0.751 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000555825977 485131327 /nfs/dbraw/zinc/13/13/27/485131327.db2.gz YPCQLCNZOODCOF-OCCSQVGLSA-N -1 0 366.436 -0.751 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000555825978 485131524 /nfs/dbraw/zinc/13/15/24/485131524.db2.gz YPCQLCNZOODCOF-TZMCWYRMSA-N -1 0 366.436 -0.751 20 0 FBADRM Cn1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@]3(CCOC3)C2)cc1C(N)=O ZINC000555825996 485131259 /nfs/dbraw/zinc/13/12/59/485131259.db2.gz ZHRDWJYZXCMANC-HZMBPMFUSA-N -1 0 357.388 -0.764 20 0 FBADRM Cn1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@]3(CCOC3)C2)cc1C(N)=O ZINC000555825997 485131168 /nfs/dbraw/zinc/13/11/68/485131168.db2.gz ZHRDWJYZXCMANC-IINYFYTJSA-N -1 0 357.388 -0.764 20 0 FBADRM Cn1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)cc1C(N)=O ZINC000555826002 485130949 /nfs/dbraw/zinc/13/09/49/485130949.db2.gz ZHRDWJYZXCMANC-QMTHXVAHSA-N -1 0 357.388 -0.764 20 0 FBADRM Cn1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)cc1C(N)=O ZINC000555826005 485131489 /nfs/dbraw/zinc/13/14/89/485131489.db2.gz ZHRDWJYZXCMANC-YGRLFVJLSA-N -1 0 357.388 -0.764 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])c1 ZINC000555855930 485131378 /nfs/dbraw/zinc/13/13/78/485131378.db2.gz RCAFKNLKJMBQRT-AWEZNQCLSA-N -1 0 369.403 -0.371 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])c1 ZINC000555855932 485131424 /nfs/dbraw/zinc/13/14/24/485131424.db2.gz RCAFKNLKJMBQRT-CQSZACIVSA-N -1 0 369.403 -0.371 20 0 FBADRM COC(=O)CNC(=O)CNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000555899964 485133258 /nfs/dbraw/zinc/13/32/58/485133258.db2.gz VZAXKTAWGMQIHD-UHFFFAOYSA-N -1 0 350.306 -0.264 20 0 FBADRM O=C([O-])[C@@H](Cc1c[nH]c2cccnc12)NS(=O)(=O)N1CCOCC1 ZINC000555955107 483845462 /nfs/dbraw/zinc/84/54/62/483845462.db2.gz PEYQUDVUERCERC-GFCCVEGCSA-N -1 0 354.388 -0.275 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]c2cccnc12)NS(=O)(=O)N1CCOCC1 ZINC000555955109 483845592 /nfs/dbraw/zinc/84/55/92/483845592.db2.gz PEYQUDVUERCERC-LBPRGKRZSA-N -1 0 354.388 -0.275 20 0 FBADRM Cc1cccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1C(N)=O ZINC000556081406 485138735 /nfs/dbraw/zinc/13/87/35/485138735.db2.gz SVYYUMFYZDIUIG-UHFFFAOYSA-N -1 0 352.372 -0.708 20 0 FBADRM Cn1[nH]c([C@H]2CCCN2CC(=O)NCC(C)(C)N2CCOCC2)nc1=N ZINC000556084700 485139509 /nfs/dbraw/zinc/13/95/09/485139509.db2.gz OEZJFFBHGIMIOR-CYBMUJFWSA-N -1 0 365.482 -0.408 20 0 FBADRM Cn1[nH]c([C@@H]2CCCN2CC(=O)NCC(C)(C)N2CCOCC2)nc1=N ZINC000556084712 485140345 /nfs/dbraw/zinc/14/03/45/485140345.db2.gz OEZJFFBHGIMIOR-ZDUSSCGKSA-N -1 0 365.482 -0.408 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2c(C(=O)NCCc3nc(=O)o[n-]3)cc(C3CC3)nc21 ZINC000556086020 485140653 /nfs/dbraw/zinc/14/06/53/485140653.db2.gz TVXAIKQTOJRSAP-UHFFFAOYSA-N -1 0 372.341 -0.440 20 0 FBADRM COC(=O)c1cnccc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000556175871 485145392 /nfs/dbraw/zinc/14/53/92/485145392.db2.gz DHPKGUVAMLOQJA-UHFFFAOYSA-N -1 0 371.396 -0.111 20 0 FBADRM CS(=O)(=O)NCCNS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000556198135 485146437 /nfs/dbraw/zinc/14/64/37/485146437.db2.gz JGTVHMQFPJSTIN-UHFFFAOYSA-N -1 0 362.429 -0.299 20 0 FBADRM CNC(=O)CCNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000556220000 485147363 /nfs/dbraw/zinc/14/73/63/485147363.db2.gz HPSYCERHCUZVCE-JTQLQIEISA-N -1 0 369.399 -0.462 20 0 FBADRM CNC(=O)CCNS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000556220003 485147158 /nfs/dbraw/zinc/14/71/58/485147158.db2.gz HPSYCERHCUZVCE-SNVBAGLBSA-N -1 0 369.399 -0.462 20 0 FBADRM O=C(CN1CCCNC1=O)NCCN1c2ccccc2[N-]S1(=O)=O ZINC000556245681 485148128 /nfs/dbraw/zinc/14/81/28/485148128.db2.gz KIXKDVDUHKEQJN-UHFFFAOYSA-N -1 0 353.404 -0.305 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000556262896 485148773 /nfs/dbraw/zinc/14/87/73/485148773.db2.gz WGTUBPRWJKHZTH-LLVKDONJSA-N -1 0 364.401 -0.931 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000556262901 485148852 /nfs/dbraw/zinc/14/88/52/485148852.db2.gz WGTUBPRWJKHZTH-NSHDSACASA-N -1 0 364.401 -0.931 20 0 FBADRM COCn1nc(C)c(S(=O)(=O)[N-]c2cnc(C(=O)OC)cn2)c1C ZINC000556304021 484367864 /nfs/dbraw/zinc/36/78/64/484367864.db2.gz DIHLYKIIZDRNDZ-UHFFFAOYSA-N -1 0 355.376 0.481 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccn2)cn1C ZINC000556305174 485151440 /nfs/dbraw/zinc/15/14/40/485151440.db2.gz MRCGQSCGKGAAMR-UHFFFAOYSA-N -1 0 372.428 -0.016 20 0 FBADRM COc1cccc(S(N)(=O)=O)c1[N-]S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000556305277 485150996 /nfs/dbraw/zinc/15/09/96/485150996.db2.gz WKLDYKXLECTRTC-MRVPVSSYSA-N -1 0 365.433 -0.439 20 0 FBADRM COc1cccc(S(N)(=O)=O)c1[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000556305279 485151301 /nfs/dbraw/zinc/15/13/01/485151301.db2.gz WKLDYKXLECTRTC-QMMMGPOBSA-N -1 0 365.433 -0.439 20 0 FBADRM CCOC(=O)Cc1nnc([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)s1 ZINC000556305353 485151451 /nfs/dbraw/zinc/15/14/51/485151451.db2.gz YGERDSQWIRGXAB-SSDOTTSWSA-N -1 0 350.422 -0.138 20 0 FBADRM CCOC(=O)Cc1nnc([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)s1 ZINC000556305357 485151453 /nfs/dbraw/zinc/15/14/53/485151453.db2.gz YGERDSQWIRGXAB-ZETCQYMHSA-N -1 0 350.422 -0.138 20 0 FBADRM CC(C)(C)NC(=O)CN1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC000556342992 483591117 /nfs/dbraw/zinc/59/11/17/483591117.db2.gz BKHNFWBLQSUIMG-UHFFFAOYSA-N -1 0 356.452 -0.339 20 0 FBADRM CN(CC(N)=O)C(=O)c1cccc([N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000556352117 483593458 /nfs/dbraw/zinc/59/34/58/483593458.db2.gz YEGXDIFENTXPRQ-UHFFFAOYSA-N -1 0 351.388 -0.222 20 0 FBADRM Cc1cc(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)n(C)n1 ZINC000556395095 483633667 /nfs/dbraw/zinc/63/36/67/483633667.db2.gz FYSQEJMTPFLNOW-UHFFFAOYSA-N -1 0 350.360 -0.044 20 0 FBADRM COCCN(CCOC)C(=O)N1CC[C@@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000556416109 483635382 /nfs/dbraw/zinc/63/53/82/483635382.db2.gz JCPGNGGNDUVTIC-CHWSQXEVSA-N -1 0 357.407 -0.291 20 0 FBADRM COCCN(CCOC)C(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000556416115 483634470 /nfs/dbraw/zinc/63/44/70/483634470.db2.gz JCPGNGGNDUVTIC-OLZOCXBDSA-N -1 0 357.407 -0.291 20 0 FBADRM COCCN(CCOC)C(=O)N1CC[C@@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000556416256 483635315 /nfs/dbraw/zinc/63/53/15/483635315.db2.gz JCPGNGGNDUVTIC-QWHCGFSZSA-N -1 0 357.407 -0.291 20 0 FBADRM COCCN(CCOC)C(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000556416257 483634689 /nfs/dbraw/zinc/63/46/89/483634689.db2.gz JCPGNGGNDUVTIC-STQMWFEESA-N -1 0 357.407 -0.291 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1)C(=O)[O-] ZINC000556702118 483654124 /nfs/dbraw/zinc/65/41/24/483654124.db2.gz GMBMBBBWCDDOSS-SECBINFHSA-N -1 0 364.763 -0.267 20 0 FBADRM CCc1oc(C(=O)OC)cc1S(=O)(=O)N[C@H](CC(=O)OC)C(=O)[O-] ZINC000556702141 483653664 /nfs/dbraw/zinc/65/36/64/483653664.db2.gz HCBSQKLPAWYNBR-SSDOTTSWSA-N -1 0 363.344 -0.077 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)CCO2)C(=O)[O-] ZINC000556702286 483654231 /nfs/dbraw/zinc/65/42/31/483654231.db2.gz ADFLCKZIUOVNLV-JTQLQIEISA-N -1 0 357.340 -0.054 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-] ZINC000556702328 483654031 /nfs/dbraw/zinc/65/40/31/483654031.db2.gz RDYJSCLNHWSWOV-LLVKDONJSA-N -1 0 362.404 -0.677 20 0 FBADRM CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1OC ZINC000556773309 483657881 /nfs/dbraw/zinc/65/78/81/483657881.db2.gz WLMBHOYJNKPBGD-MRVPVSSYSA-N -1 0 366.779 -0.568 20 0 FBADRM O=C([O-])C1(CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCC1 ZINC000556773891 483657772 /nfs/dbraw/zinc/65/77/72/483657772.db2.gz BTRZIFMLJOXVHM-UHFFFAOYSA-N -1 0 353.356 -0.250 20 0 FBADRM CCOC(=O)Cc1cccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000556773963 483657184 /nfs/dbraw/zinc/65/71/84/483657184.db2.gz LPMRGYKGBNEOGM-LLVKDONJSA-N -1 0 358.372 -0.601 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)N(C)[C@H](COC)C(=O)[O-])c1 ZINC000556774891 483657606 /nfs/dbraw/zinc/65/76/06/483657606.db2.gz HIUNDYAYAPOVPB-CYBMUJFWSA-N -1 0 374.415 -0.217 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)N(C)[C@@H](COC)C(=O)[O-])c1 ZINC000556774894 483657828 /nfs/dbraw/zinc/65/78/28/483657828.db2.gz HIUNDYAYAPOVPB-ZDUSSCGKSA-N -1 0 374.415 -0.217 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)N[C@H](COC)C(=O)[O-])c1 ZINC000556776784 483657905 /nfs/dbraw/zinc/65/79/05/483657905.db2.gz YRUZXMRGMZXUKJ-GFCCVEGCSA-N -1 0 360.388 -0.559 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)N[C@@H](COC)C(=O)[O-])c1 ZINC000556776785 483657825 /nfs/dbraw/zinc/65/78/25/483657825.db2.gz YRUZXMRGMZXUKJ-LBPRGKRZSA-N -1 0 360.388 -0.559 20 0 FBADRM Cn1cnnc1CNS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000556794628 483659158 /nfs/dbraw/zinc/65/91/58/483659158.db2.gz RQMZZNZDQSFLLD-UHFFFAOYSA-N -1 0 354.344 -0.237 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]c3cc4ccccn4n3)cnc21 ZINC000556803526 484480794 /nfs/dbraw/zinc/48/07/94/484480794.db2.gz PCZKJHMLTCNVNU-UHFFFAOYSA-N -1 0 372.366 0.483 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCNC(=O)C2)C1=O ZINC000556899427 483662757 /nfs/dbraw/zinc/66/27/57/483662757.db2.gz KJGLZKTWAWGRSJ-GXTWGEPZSA-N -1 0 360.370 -0.445 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCNC(=O)C2)C1=O ZINC000556899430 483662844 /nfs/dbraw/zinc/66/28/44/483662844.db2.gz KJGLZKTWAWGRSJ-JSGCOSHPSA-N -1 0 360.370 -0.445 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCNC(=O)C2)C1=O ZINC000556899432 483662710 /nfs/dbraw/zinc/66/27/10/483662710.db2.gz KJGLZKTWAWGRSJ-OCCSQVGLSA-N -1 0 360.370 -0.445 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCNC(=O)C2)C1=O ZINC000556899433 483662485 /nfs/dbraw/zinc/66/24/85/483662485.db2.gz KJGLZKTWAWGRSJ-TZMCWYRMSA-N -1 0 360.370 -0.445 20 0 FBADRM Nc1nnc(CCNC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)o1 ZINC000557010490 484544340 /nfs/dbraw/zinc/54/43/40/484544340.db2.gz BNYPPDCBYSSELT-UHFFFAOYSA-N -1 0 361.330 -0.433 20 0 FBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000557011362 483666248 /nfs/dbraw/zinc/66/62/48/483666248.db2.gz DZMSQTHNENNIFQ-UHFFFAOYSA-N -1 0 363.359 -0.394 20 0 FBADRM O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NC1(c2nnn[n-]2)CC1 ZINC000557012391 483666954 /nfs/dbraw/zinc/66/69/54/483666954.db2.gz SDNSMPBZWRPQDU-UHFFFAOYSA-N -1 0 362.375 -0.840 20 0 FBADRM COC(=O)[C@H]1CNC(=O)CN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000557040299 483667199 /nfs/dbraw/zinc/66/71/99/483667199.db2.gz MUKPUHCUEMZABZ-LLVKDONJSA-N -1 0 362.317 -0.169 20 0 FBADRM COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000557040304 483667223 /nfs/dbraw/zinc/66/72/23/483667223.db2.gz MUKPUHCUEMZABZ-NSHDSACASA-N -1 0 362.317 -0.169 20 0 FBADRM CCOCCNS(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000557176982 483670638 /nfs/dbraw/zinc/67/06/38/483670638.db2.gz ABAUAPZMVHINSL-UHFFFAOYSA-N -1 0 354.454 -0.492 20 0 FBADRM COCCCNS(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000557179923 483670454 /nfs/dbraw/zinc/67/04/54/483670454.db2.gz RAVKOEGZVWUHFT-UHFFFAOYSA-N -1 0 354.454 -0.492 20 0 FBADRM CC(C)c1n[n-]c(=NC(=O)c2nc(N)nc(N3CCOCC3)n2)s1 ZINC000557481779 484515652 /nfs/dbraw/zinc/51/56/52/484515652.db2.gz PYBPARTXNSEOGE-UHFFFAOYSA-N -1 0 350.408 -0.061 20 0 FBADRM CO[C@H](C)c1nc(=NC(=O)N(C)C[C@@H](O)CN2CCOCC2)s[n-]1 ZINC000557528988 483684003 /nfs/dbraw/zinc/68/40/03/483684003.db2.gz HANZDKZQNWTDTQ-GHMZBOCLSA-N -1 0 359.452 -0.176 20 0 FBADRM CO[C@H](C)c1nc(=NC(=O)N(C)C[C@H](O)CN2CCOCC2)s[n-]1 ZINC000557529004 483684135 /nfs/dbraw/zinc/68/41/35/483684135.db2.gz HANZDKZQNWTDTQ-MNOVXSKESA-N -1 0 359.452 -0.176 20 0 FBADRM CO[C@@H](C)c1nc(=NC(=O)N(C)C[C@H](O)CN2CCOCC2)s[n-]1 ZINC000557529006 483684409 /nfs/dbraw/zinc/68/44/09/483684409.db2.gz HANZDKZQNWTDTQ-QWRGUYRKSA-N -1 0 359.452 -0.176 20 0 FBADRM CO[C@@H](C)c1nc(=NC(=O)N(C)C[C@@H](O)CN2CCOCC2)s[n-]1 ZINC000557529013 483684192 /nfs/dbraw/zinc/68/41/92/483684192.db2.gz HANZDKZQNWTDTQ-WDEREUQCSA-N -1 0 359.452 -0.176 20 0 FBADRM CC(C)(C)c1n[n-]c(=NC(=O)c2nc(N)nc(N3CCOCC3)n2)s1 ZINC000557565647 484507112 /nfs/dbraw/zinc/50/71/12/484507112.db2.gz MROHZIICFSMNFS-UHFFFAOYSA-N -1 0 364.435 0.114 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000557571672 483684744 /nfs/dbraw/zinc/68/47/44/483684744.db2.gz LDICTIUXJXRMMT-LLVKDONJSA-N -1 0 363.436 -0.856 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000557571673 483685084 /nfs/dbraw/zinc/68/50/84/483685084.db2.gz LDICTIUXJXRMMT-NSHDSACASA-N -1 0 363.436 -0.856 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000557844870 483695451 /nfs/dbraw/zinc/69/54/51/483695451.db2.gz NWXUDUBWLAJMCU-GFCCVEGCSA-N -1 0 365.433 -0.737 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000557844878 483695317 /nfs/dbraw/zinc/69/53/17/483695317.db2.gz NWXUDUBWLAJMCU-LBPRGKRZSA-N -1 0 365.433 -0.737 20 0 FBADRM CN(C)S(=O)(=O)N1CCC[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)C1 ZINC000557860989 483695639 /nfs/dbraw/zinc/69/56/39/483695639.db2.gz KNLRBEQDSFFXMU-MRVPVSSYSA-N -1 0 368.403 -0.757 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NCC(=O)N1CCCC1 ZINC000557869860 483695854 /nfs/dbraw/zinc/69/58/54/483695854.db2.gz RLJBOWROVGMXDP-UHFFFAOYSA-N -1 0 361.370 -0.018 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)[O-])CC2)o1 ZINC000557977362 483697934 /nfs/dbraw/zinc/69/79/34/483697934.db2.gz QJPVFTSEIXLJJT-UHFFFAOYSA-N -1 0 359.360 -0.924 20 0 FBADRM C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000558170607 483705761 /nfs/dbraw/zinc/70/57/61/483705761.db2.gz XBLUFHUXUZUFSQ-GRYCIOLGSA-N -1 0 371.463 -0.276 20 0 FBADRM C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000558170608 483705874 /nfs/dbraw/zinc/70/58/74/483705874.db2.gz XBLUFHUXUZUFSQ-IJLUTSLNSA-N -1 0 371.463 -0.276 20 0 FBADRM C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000558170609 483705713 /nfs/dbraw/zinc/70/57/13/483705713.db2.gz XBLUFHUXUZUFSQ-UTUOFQBUSA-N -1 0 371.463 -0.276 20 0 FBADRM C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000558170610 483705668 /nfs/dbraw/zinc/70/56/68/483705668.db2.gz XBLUFHUXUZUFSQ-WOPDTQHZSA-N -1 0 371.463 -0.276 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000558343859 483714779 /nfs/dbraw/zinc/71/47/79/483714779.db2.gz MYMOEJPKZMPRLZ-LLVKDONJSA-N -1 0 363.440 -0.471 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000558343861 483714973 /nfs/dbraw/zinc/71/49/73/483714973.db2.gz MYMOEJPKZMPRLZ-NSHDSACASA-N -1 0 363.440 -0.471 20 0 FBADRM COC(=O)Cn1cc(CNC(=O)N=c2nc([C@@H](C)OC)[n-]s2)nn1 ZINC000558447468 483720876 /nfs/dbraw/zinc/72/08/76/483720876.db2.gz FGUZUUPOCMBPFM-SSDOTTSWSA-N -1 0 355.380 -0.246 20 0 FBADRM COC(=O)Cn1cc(CNC(=O)N=c2nc([C@H](C)OC)[n-]s2)nn1 ZINC000558447469 483720825 /nfs/dbraw/zinc/72/08/25/483720825.db2.gz FGUZUUPOCMBPFM-ZETCQYMHSA-N -1 0 355.380 -0.246 20 0 FBADRM CCCc1nc(=NC(=O)N2CCN(CCS(N)(=O)=O)CC2)s[n-]1 ZINC000558458643 657407690 /nfs/dbraw/zinc/40/76/90/657407690.db2.gz IYCZWJFDIWEQOA-UHFFFAOYSA-N -1 0 362.481 -0.650 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000558473414 661643495 /nfs/dbraw/zinc/64/34/95/661643495.db2.gz DOAYWYCUWUROOY-SECBINFHSA-N -1 0 371.433 -0.911 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000558473421 657324877 /nfs/dbraw/zinc/32/48/77/657324877.db2.gz DOAYWYCUWUROOY-VIFPVBQESA-N -1 0 371.433 -0.911 20 0 FBADRM CCN(C)C(=O)c1cccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c1 ZINC000558473953 661643439 /nfs/dbraw/zinc/64/34/39/661643439.db2.gz YWZGENHNNNDTNK-UHFFFAOYSA-N -1 0 371.415 -0.352 20 0 FBADRM NC(=O)Cn1cc(NC(=O)CNS(=O)(=O)c2ccccc2F)cn1 ZINC000558485159 483721846 /nfs/dbraw/zinc/72/18/46/483721846.db2.gz ODPQQVBJWVGLII-UHFFFAOYSA-N -1 0 355.351 -0.576 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000558486790 483721880 /nfs/dbraw/zinc/72/18/80/483721880.db2.gz DVEUFVKEBXSHTP-UHFFFAOYSA-N -1 0 351.348 -0.926 20 0 FBADRM Cn1cnnc1CCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000558523912 661644054 /nfs/dbraw/zinc/64/40/54/661644054.db2.gz INBIREHPGMMXHY-UHFFFAOYSA-N -1 0 359.358 -0.270 20 0 FBADRM Nc1ccnc(CNC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)n1 ZINC000558546049 484546008 /nfs/dbraw/zinc/54/60/08/484546008.db2.gz BROQWKFELLUSOD-UHFFFAOYSA-N -1 0 357.342 -0.068 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCN2C(=O)N=NC2C1 ZINC000558561849 483725427 /nfs/dbraw/zinc/72/54/27/483725427.db2.gz AQPIJYTWDKFFSY-UHFFFAOYSA-N -1 0 373.341 -0.417 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCn2ncnc2C1 ZINC000558562670 483725467 /nfs/dbraw/zinc/72/54/67/483725467.db2.gz HLWQQUJZBPHQRR-UHFFFAOYSA-N -1 0 357.342 -0.123 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000558565467 483725557 /nfs/dbraw/zinc/72/55/57/483725557.db2.gz BHHXUGAUUJOSTN-UHFFFAOYSA-N -1 0 364.387 -0.514 20 0 FBADRM COCC[C@H](CO)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000558572462 483725357 /nfs/dbraw/zinc/72/53/57/483725357.db2.gz ZUHJOZMWKNYPFT-SECBINFHSA-N -1 0 352.359 -0.243 20 0 FBADRM COCC[C@@H](CO)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000558572463 483725521 /nfs/dbraw/zinc/72/55/21/483725521.db2.gz ZUHJOZMWKNYPFT-VIFPVBQESA-N -1 0 352.359 -0.243 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000558587752 601595723 /nfs/dbraw/zinc/59/57/23/601595723.db2.gz RMPQNEVNWFTJPG-CYBMUJFWSA-N -1 0 353.360 -0.601 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000558587753 601595833 /nfs/dbraw/zinc/59/58/33/601595833.db2.gz RMPQNEVNWFTJPG-ZDUSSCGKSA-N -1 0 353.360 -0.601 20 0 FBADRM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000558588094 483726608 /nfs/dbraw/zinc/72/66/08/483726608.db2.gz CLVKPRYIZVFAFG-ONGXEEELSA-N -1 0 361.397 -0.775 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H]2CC[C@@H](C(=O)[O-])C[C@H]21 ZINC000558590183 483726598 /nfs/dbraw/zinc/72/65/98/483726598.db2.gz ORIAKUHNULTIHH-QJPTWQEYSA-N -1 0 368.477 -0.169 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H]2CC[C@H](C(=O)[O-])C[C@H]21 ZINC000558590184 483726330 /nfs/dbraw/zinc/72/63/30/483726330.db2.gz ORIAKUHNULTIHH-SDDRHHMPSA-N -1 0 368.477 -0.169 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H]2CC[C@H](C(=O)[O-])C[C@@H]21 ZINC000558590185 483726574 /nfs/dbraw/zinc/72/65/74/483726574.db2.gz ORIAKUHNULTIHH-SRVKXCTJSA-N -1 0 368.477 -0.169 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H]2CC[C@@H](C(=O)[O-])C[C@@H]21 ZINC000558590186 483726341 /nfs/dbraw/zinc/72/63/41/483726341.db2.gz ORIAKUHNULTIHH-TUAOUCFPSA-N -1 0 368.477 -0.169 20 0 FBADRM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000558590242 483726291 /nfs/dbraw/zinc/72/62/91/483726291.db2.gz AMLDRCPBDAJTCV-XNCJUZBTSA-N -1 0 362.747 -0.017 20 0 FBADRM O=C([O-])C1(NS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CCOCC1 ZINC000558590728 483726420 /nfs/dbraw/zinc/72/64/20/483726420.db2.gz ZYWTYKMRZYYXSZ-UHFFFAOYSA-N -1 0 360.432 -0.059 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000558591250 483726327 /nfs/dbraw/zinc/72/63/27/483726327.db2.gz VGPJLYRSKONBEL-UHFFFAOYSA-N -1 0 356.466 -0.121 20 0 FBADRM CCOC[C@@H](NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2)C(=O)[O-] ZINC000558642797 661646852 /nfs/dbraw/zinc/64/68/52/661646852.db2.gz KJJPSEAIJNNZJE-LLVKDONJSA-N -1 0 363.413 -0.216 20 0 FBADRM COC(=O)C1(CS(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)CCC1 ZINC000558642875 661646937 /nfs/dbraw/zinc/64/69/37/661646937.db2.gz QPTDJVXBMCSNHF-JTQLQIEISA-N -1 0 362.404 -0.818 20 0 FBADRM COC(=O)C1(CS(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)CCC1 ZINC000558642876 661646872 /nfs/dbraw/zinc/64/68/72/661646872.db2.gz QPTDJVXBMCSNHF-SNVBAGLBSA-N -1 0 362.404 -0.818 20 0 FBADRM NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc2c1OCO2 ZINC000558693009 661651155 /nfs/dbraw/zinc/65/11/55/661651155.db2.gz HIORPFYNRRCGDO-BDAKNGLRSA-N -1 0 356.356 -0.246 20 0 FBADRM NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc2c1OCO2 ZINC000558693010 661651115 /nfs/dbraw/zinc/65/11/15/661651115.db2.gz HIORPFYNRRCGDO-DTWKUNHWSA-N -1 0 356.356 -0.246 20 0 FBADRM NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc2c1OCO2 ZINC000558693011 661651310 /nfs/dbraw/zinc/65/13/10/661651310.db2.gz HIORPFYNRRCGDO-IUCAKERBSA-N -1 0 356.356 -0.246 20 0 FBADRM NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc2c1OCO2 ZINC000558693012 661651339 /nfs/dbraw/zinc/65/13/39/661651339.db2.gz HIORPFYNRRCGDO-RKDXNWHRSA-N -1 0 356.356 -0.246 20 0 FBADRM CNC(=O)Cn1[nH]c(=NC(=O)N=c2cc(-c3nccn3C)[n-][nH]2)cc1C ZINC000558753110 483732598 /nfs/dbraw/zinc/73/25/98/483732598.db2.gz OSYPPTIFXVAZLG-UHFFFAOYSA-N -1 0 357.378 -0.451 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@](C)(O)CO)c1 ZINC000558873255 661653815 /nfs/dbraw/zinc/65/38/15/661653815.db2.gz UTIXXIMVYCEBJS-AWEZNQCLSA-N -1 0 359.404 -0.510 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@@](C)(O)CO)c1 ZINC000558873264 661653800 /nfs/dbraw/zinc/65/38/00/661653800.db2.gz UTIXXIMVYCEBJS-CQSZACIVSA-N -1 0 359.404 -0.510 20 0 FBADRM CC(=O)NCCN(C(=O)c1cnc([O-])n(C)c1=O)C1CCSCC1 ZINC000558959413 483749169 /nfs/dbraw/zinc/74/91/69/483749169.db2.gz JRFUFFYJIFGXAG-UHFFFAOYSA-N -1 0 354.432 -0.040 20 0 FBADRM CCCc1nc(=NC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)s[n-]1 ZINC000558975974 483750105 /nfs/dbraw/zinc/75/01/05/483750105.db2.gz IBDGWLQPHHEOBA-UHFFFAOYSA-N -1 0 358.449 -0.129 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cn1 ZINC000559095750 483753841 /nfs/dbraw/zinc/75/38/41/483753841.db2.gz TVUXDZWEJDDEML-SECBINFHSA-N -1 0 370.391 -0.552 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cn1 ZINC000559095752 483753753 /nfs/dbraw/zinc/75/37/53/483753753.db2.gz TVUXDZWEJDDEML-VIFPVBQESA-N -1 0 370.391 -0.552 20 0 FBADRM COC(=O)c1ccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)nc1 ZINC000559187525 483758848 /nfs/dbraw/zinc/75/88/48/483758848.db2.gz VUEHNETXGQVOGA-UHFFFAOYSA-N -1 0 354.344 -0.934 20 0 FBADRM COCc1cc(C(=O)OC)cc(S(=O)(=O)N[C@H](COC)C(=O)[O-])c1 ZINC000559204424 483759230 /nfs/dbraw/zinc/75/92/30/483759230.db2.gz FNBISQPBADVIFZ-GFCCVEGCSA-N -1 0 361.372 -0.003 20 0 FBADRM COCc1cc(C(=O)OC)cc(S(=O)(=O)N[C@@H](COC)C(=O)[O-])c1 ZINC000559204433 483759059 /nfs/dbraw/zinc/75/90/59/483759059.db2.gz FNBISQPBADVIFZ-LBPRGKRZSA-N -1 0 361.372 -0.003 20 0 FBADRM O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCCCc1nnc[nH]1 ZINC000559248878 483765250 /nfs/dbraw/zinc/76/52/50/483765250.db2.gz ADMWRPLOCUMYST-UHFFFAOYSA-N -1 0 357.168 -0.422 20 0 FBADRM O=C(NCCS(=O)(=O)N1CCSCC1)c1c[n-]n2c1nccc2=O ZINC000559277276 483768046 /nfs/dbraw/zinc/76/80/46/483768046.db2.gz SRLACTXMUYXHIM-UHFFFAOYSA-N -1 0 371.444 -0.869 20 0 FBADRM O=C([O-])[C@@H]1CCN1S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000559281748 483768601 /nfs/dbraw/zinc/76/86/01/483768601.db2.gz SYSCTXLVJYFZPZ-JTQLQIEISA-N -1 0 360.413 -0.025 20 0 FBADRM CN(CC(C)(CO)CO)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000559295674 483770387 /nfs/dbraw/zinc/77/03/87/483770387.db2.gz GTBANHNBLZQNHH-UHFFFAOYSA-N -1 0 366.386 -0.308 20 0 FBADRM CNS(=O)(=O)N1CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])CC1 ZINC000559305522 483770107 /nfs/dbraw/zinc/77/01/07/483770107.db2.gz RTVLKTPRZISBCF-UHFFFAOYSA-N -1 0 365.415 -0.200 20 0 FBADRM C[C@@H](NC(=O)N1CCOC[C@@H]1C(=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000559332858 483772390 /nfs/dbraw/zinc/77/23/90/483772390.db2.gz KXRBGSDQTBTFJZ-BXKDBHETSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@H](NC(=O)N1CCOC[C@H]1C(=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000559332866 483771952 /nfs/dbraw/zinc/77/19/52/483771952.db2.gz KXRBGSDQTBTFJZ-CABZTGNLSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@H](NC(=O)N1CCOC[C@@H]1C(=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000559332868 483772193 /nfs/dbraw/zinc/77/21/93/483772193.db2.gz KXRBGSDQTBTFJZ-JOYOIKCWSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@@H](NC(=O)N1CCOC[C@H]1C(=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000559332870 483772401 /nfs/dbraw/zinc/77/24/01/483772401.db2.gz KXRBGSDQTBTFJZ-SKDRFNHKSA-N -1 0 357.388 -0.110 20 0 FBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000559341794 483772974 /nfs/dbraw/zinc/77/29/74/483772974.db2.gz RCAXLSLKILPUMY-UHFFFAOYSA-N -1 0 374.400 -0.642 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)NCC2(C(=O)[O-])CCOCC2)c1 ZINC000559381243 483802464 /nfs/dbraw/zinc/80/24/64/483802464.db2.gz RSWPPINKKMWPFG-UHFFFAOYSA-N -1 0 359.404 -0.124 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])c1 ZINC000559407999 483841347 /nfs/dbraw/zinc/84/13/47/483841347.db2.gz SMSPGMPSFSPXPM-AAEUAGOBSA-N -1 0 371.415 -0.022 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)N2C[C@H](OC)C[C@@H]2C(=O)[O-])c1 ZINC000559408001 483841130 /nfs/dbraw/zinc/84/11/30/483841130.db2.gz SMSPGMPSFSPXPM-DGCLKSJQSA-N -1 0 371.415 -0.022 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)N2C[C@@H](OC)C[C@@H]2C(=O)[O-])c1 ZINC000559408002 483841333 /nfs/dbraw/zinc/84/13/33/483841333.db2.gz SMSPGMPSFSPXPM-WCQYABFASA-N -1 0 371.415 -0.022 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])c1 ZINC000559408004 483841383 /nfs/dbraw/zinc/84/13/83/483841383.db2.gz SMSPGMPSFSPXPM-YPMHNXCESA-N -1 0 371.415 -0.022 20 0 FBADRM COC(=O)c1cncc(S(=O)(=O)[N-]c2cnn(CC(=O)N(C)C)c2)c1 ZINC000559433121 483841800 /nfs/dbraw/zinc/84/18/00/483841800.db2.gz FNSOQQCWVCRXRZ-UHFFFAOYSA-N -1 0 367.387 -0.046 20 0 FBADRM C[C@H]1OCCN(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)[C@@H]1C(=O)[O-] ZINC000559438116 483841839 /nfs/dbraw/zinc/84/18/39/483841839.db2.gz JCWSVZVKSLGIQZ-PELKAZGASA-N -1 0 368.367 -0.225 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1 ZINC000559471214 483843972 /nfs/dbraw/zinc/84/39/72/483843972.db2.gz OTFJIBGBSILXLB-LLVKDONJSA-N -1 0 361.424 -0.483 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N[C@H](C(=O)[O-])c1ccn(C)n1 ZINC000559471215 483844019 /nfs/dbraw/zinc/84/40/19/483844019.db2.gz OTFJIBGBSILXLB-NSHDSACASA-N -1 0 361.424 -0.483 20 0 FBADRM CS(=O)(=O)N1CCC(CNC(=O)N[C@]2(C(=O)[O-])CCSC2)CC1 ZINC000559571712 483847327 /nfs/dbraw/zinc/84/73/27/483847327.db2.gz AMGNYTSEKZVEOR-CYBMUJFWSA-N -1 0 365.477 -0.083 20 0 FBADRM CS(=O)(=O)N1CCC(CNC(=O)N[C@@]2(C(=O)[O-])CCSC2)CC1 ZINC000559571713 483847264 /nfs/dbraw/zinc/84/72/64/483847264.db2.gz AMGNYTSEKZVEOR-ZDUSSCGKSA-N -1 0 365.477 -0.083 20 0 FBADRM CCO[C@H]1C[C@](NC(=O)NCCNS(=O)(=O)CC)(C(=O)[O-])C1(C)C ZINC000559572614 483847392 /nfs/dbraw/zinc/84/73/92/483847392.db2.gz LSUUPQITIJGBRC-HZMBPMFUSA-N -1 0 365.452 -0.117 20 0 FBADRM CCO[C@H]1C[C@@](NC(=O)NCCNS(=O)(=O)CC)(C(=O)[O-])C1(C)C ZINC000559572615 483847287 /nfs/dbraw/zinc/84/72/87/483847287.db2.gz LSUUPQITIJGBRC-IINYFYTJSA-N -1 0 365.452 -0.117 20 0 FBADRM CCO[C@@H]1C[C@@](NC(=O)NCCNS(=O)(=O)CC)(C(=O)[O-])C1(C)C ZINC000559572616 483847238 /nfs/dbraw/zinc/84/72/38/483847238.db2.gz LSUUPQITIJGBRC-QMTHXVAHSA-N -1 0 365.452 -0.117 20 0 FBADRM CCO[C@@H]1C[C@](NC(=O)NCCNS(=O)(=O)CC)(C(=O)[O-])C1(C)C ZINC000559572617 483847486 /nfs/dbraw/zinc/84/74/86/483847486.db2.gz LSUUPQITIJGBRC-YGRLFVJLSA-N -1 0 365.452 -0.117 20 0 FBADRM CCS(=O)(=O)NCCNS(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000559640195 483850612 /nfs/dbraw/zinc/85/06/12/483850612.db2.gz WDXZHGPVJOQWBP-UHFFFAOYSA-N -1 0 356.451 -0.681 20 0 FBADRM CC1(C)CC[C@@H](C(=O)[O-])N1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000559736894 483852442 /nfs/dbraw/zinc/85/24/42/483852442.db2.gz MFOHXNKWKRLSJY-JTQLQIEISA-N -1 0 369.465 -0.864 20 0 FBADRM CC1(C)CC[C@H](C(=O)[O-])N1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000559736898 483852683 /nfs/dbraw/zinc/85/26/83/483852683.db2.gz MFOHXNKWKRLSJY-SNVBAGLBSA-N -1 0 369.465 -0.864 20 0 FBADRM O=C([O-])[C@@H](Cc1c[nH]c2cccnc12)NC(=O)N1CCS(=O)(=O)CC1 ZINC000559797254 483855069 /nfs/dbraw/zinc/85/50/69/483855069.db2.gz AJWWARRCMFRIPP-GFCCVEGCSA-N -1 0 366.399 -0.001 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]c2cccnc12)NC(=O)N1CCS(=O)(=O)CC1 ZINC000559797255 483854954 /nfs/dbraw/zinc/85/49/54/483854954.db2.gz AJWWARRCMFRIPP-LBPRGKRZSA-N -1 0 366.399 -0.001 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000559806546 483855482 /nfs/dbraw/zinc/85/54/82/483855482.db2.gz WTMACEQNQNCZHP-UHFFFAOYSA-N -1 0 355.372 -0.942 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2COCCO2)cc1 ZINC000559813307 483855354 /nfs/dbraw/zinc/85/53/54/483855354.db2.gz BTYBYOMEQVRKCO-LLVKDONJSA-N -1 0 358.372 -0.805 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)NC[C@H]2COCCO2)cc1 ZINC000559813308 483855266 /nfs/dbraw/zinc/85/52/66/483855266.db2.gz BTYBYOMEQVRKCO-NSHDSACASA-N -1 0 358.372 -0.805 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2n(C)c1=O ZINC000559920827 483859317 /nfs/dbraw/zinc/85/93/17/483859317.db2.gz JYCAOHSUGQIPIW-GFCCVEGCSA-N -1 0 355.372 -0.649 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)cc2n(C)c1=O ZINC000559920828 483859315 /nfs/dbraw/zinc/85/93/15/483859315.db2.gz JYCAOHSUGQIPIW-LBPRGKRZSA-N -1 0 355.372 -0.649 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000559921422 483859374 /nfs/dbraw/zinc/85/93/74/483859374.db2.gz UTEZRPTXXBXRTI-GFCCVEGCSA-N -1 0 363.413 -0.046 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000559921425 483859364 /nfs/dbraw/zinc/85/93/64/483859364.db2.gz UTEZRPTXXBXRTI-LBPRGKRZSA-N -1 0 363.413 -0.046 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1OC ZINC000559921906 483859338 /nfs/dbraw/zinc/85/93/38/483859338.db2.gz NHAZDPBOSWSVPW-GFCCVEGCSA-N -1 0 359.356 -0.044 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1OC ZINC000559921907 483859342 /nfs/dbraw/zinc/85/93/42/483859342.db2.gz NHAZDPBOSWSVPW-LBPRGKRZSA-N -1 0 359.356 -0.044 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2cnccc2NC(C)=O)cn1C ZINC000559949530 483860051 /nfs/dbraw/zinc/86/00/51/483860051.db2.gz ZJVUGPXHNJICHZ-UHFFFAOYSA-N -1 0 351.388 -0.039 20 0 FBADRM Cn1nnc(CNS(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)n1 ZINC000559959566 483860462 /nfs/dbraw/zinc/86/04/62/483860462.db2.gz MUDQNTFRKYLRQM-UHFFFAOYSA-N -1 0 355.332 -0.842 20 0 FBADRM CCc1oc(C(=O)OC)cc1S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000559959591 483860339 /nfs/dbraw/zinc/86/03/39/483860339.db2.gz NIIOUCIFSHUWKA-UHFFFAOYSA-N -1 0 362.360 -0.502 20 0 FBADRM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)nc1 ZINC000559962333 483860380 /nfs/dbraw/zinc/86/03/80/483860380.db2.gz KBGXJKBJPNRFTL-MRVPVSSYSA-N -1 0 350.422 -0.792 20 0 FBADRM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)nc1 ZINC000559962334 483860504 /nfs/dbraw/zinc/86/05/04/483860504.db2.gz KBGXJKBJPNRFTL-QMMMGPOBSA-N -1 0 350.422 -0.792 20 0 FBADRM COc1ccc(-c2nnc(S(=O)(=O)CCCS(N)(=O)=O)[n-]2)cc1 ZINC000559985015 483860886 /nfs/dbraw/zinc/86/08/86/483860886.db2.gz GJRQQONETKYEBM-UHFFFAOYSA-N -1 0 360.417 -0.067 20 0 FBADRM COC(=O)c1cn(CCNS(=O)(=O)c2cccc(C(=O)[O-])c2)nn1 ZINC000560094168 483864424 /nfs/dbraw/zinc/86/44/24/483864424.db2.gz JVQIAIPCDCYTDQ-UHFFFAOYSA-N -1 0 354.344 -0.259 20 0 FBADRM COC(=O)c1cn(CCNS(=O)(=O)c2ccc(C(=O)[O-])cc2F)nn1 ZINC000560095266 483864317 /nfs/dbraw/zinc/86/43/17/483864317.db2.gz XZCMDEWZZFWXFP-UHFFFAOYSA-N -1 0 372.334 -0.120 20 0 FBADRM CC(C)Oc1ccc(=NC(=O)C(=O)N2CCc3nnc(N)cc3C2)[n-]n1 ZINC000560209356 484513196 /nfs/dbraw/zinc/51/31/96/484513196.db2.gz MYRGGVKPJXNFSA-UHFFFAOYSA-N -1 0 357.374 -0.419 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC(NC(=O)c3n[nH]c(=O)[n-]3)C2)cc1 ZINC000560351229 483871692 /nfs/dbraw/zinc/87/16/92/483871692.db2.gz ORTDXHZSQYMEHC-UHFFFAOYSA-N -1 0 353.360 -0.678 20 0 FBADRM CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1OC ZINC000560416065 483873884 /nfs/dbraw/zinc/87/38/84/483873884.db2.gz WLMBHOYJNKPBGD-QMMMGPOBSA-N -1 0 366.779 -0.568 20 0 FBADRM CCOC(=O)Cc1cccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1 ZINC000560416981 483873859 /nfs/dbraw/zinc/87/38/59/483873859.db2.gz DYPKJMPLNLCZNL-LBPRGKRZSA-N -1 0 372.399 -0.211 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)NCCOCC(=O)[O-])c1 ZINC000560418122 483874025 /nfs/dbraw/zinc/87/40/25/483874025.db2.gz FLYYKEBNTHNGTJ-UHFFFAOYSA-N -1 0 360.388 -0.558 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)(F)F)cn1 ZINC000560418485 483874205 /nfs/dbraw/zinc/87/42/05/483874205.db2.gz WBEZFJOFDYYMHM-SSDOTTSWSA-N -1 0 373.309 -0.012 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)(F)F)cn1 ZINC000560418486 483873937 /nfs/dbraw/zinc/87/39/37/483873937.db2.gz WBEZFJOFDYYMHM-ZETCQYMHSA-N -1 0 373.309 -0.012 20 0 FBADRM CCOC(=O)Cc1cccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c1 ZINC000560419759 483874059 /nfs/dbraw/zinc/87/40/59/483874059.db2.gz UCMWQQAASSBKKG-UHFFFAOYSA-N -1 0 372.399 -0.339 20 0 FBADRM CS(=O)(=O)[N-]c1nc2c(s1)CN(C(=O)CN1CCOCC1=O)CC2 ZINC000560435551 483874470 /nfs/dbraw/zinc/87/44/70/483874470.db2.gz PITHCWXXINMXKN-UHFFFAOYSA-N -1 0 374.444 -0.742 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2COCCO2)cc2c1OCCO2 ZINC000560446051 483874610 /nfs/dbraw/zinc/87/46/10/483874610.db2.gz OELBKZDJZVDZJZ-SECBINFHSA-N -1 0 359.356 -0.150 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2COCCO2)cc2c1OCCO2 ZINC000560446052 483874591 /nfs/dbraw/zinc/87/45/91/483874591.db2.gz OELBKZDJZVDZJZ-VIFPVBQESA-N -1 0 359.356 -0.150 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000560449224 483874511 /nfs/dbraw/zinc/87/45/11/483874511.db2.gz DGJFSFRTBARDMI-UHFFFAOYSA-N -1 0 352.331 -0.225 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]c1cnn(CC(=O)N2CCOCC2)c1 ZINC000560449465 483874587 /nfs/dbraw/zinc/87/45/87/483874587.db2.gz VBQIQKKCLQEDIU-UHFFFAOYSA-N -1 0 368.419 -0.415 20 0 FBADRM C[C@@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000560482022 483876275 /nfs/dbraw/zinc/87/62/75/483876275.db2.gz ZKTFHRFWMZJHGE-GHMZBOCLSA-N -1 0 364.445 -0.007 20 0 FBADRM C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000560482023 483876154 /nfs/dbraw/zinc/87/61/54/483876154.db2.gz ZKTFHRFWMZJHGE-MNOVXSKESA-N -1 0 364.445 -0.007 20 0 FBADRM C[C@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)[C@H](C)C(=O)[O-] ZINC000560482024 483876219 /nfs/dbraw/zinc/87/62/19/483876219.db2.gz ZKTFHRFWMZJHGE-QWRGUYRKSA-N -1 0 364.445 -0.007 20 0 FBADRM C[C@@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)[C@H](C)C(=O)[O-] ZINC000560482025 483876071 /nfs/dbraw/zinc/87/60/71/483876071.db2.gz ZKTFHRFWMZJHGE-WDEREUQCSA-N -1 0 364.445 -0.007 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(N)=O)c(=O)n(C)c1=O ZINC000560620674 483880372 /nfs/dbraw/zinc/88/03/72/483880372.db2.gz KJXBKKILXNYSJC-UHFFFAOYSA-N -1 0 372.790 -0.363 20 0 FBADRM Cn1ncc2c1ncnc2N1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000560622772 483880176 /nfs/dbraw/zinc/88/01/76/483880176.db2.gz QGZPIIBRJKHOAA-UHFFFAOYSA-N -1 0 350.404 -0.170 20 0 FBADRM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cn1 ZINC000560832323 483885088 /nfs/dbraw/zinc/88/50/88/483885088.db2.gz BJKHHBRUZNVBNP-UHFFFAOYSA-N -1 0 356.385 -0.371 20 0 FBADRM COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000560896539 483886907 /nfs/dbraw/zinc/88/69/07/483886907.db2.gz GNBJNFOETJSCGL-UHFFFAOYSA-N -1 0 361.372 -0.522 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000560913857 483888445 /nfs/dbraw/zinc/88/84/45/483888445.db2.gz XRKKMEVMJLTSLW-LLVKDONJSA-N -1 0 350.441 -0.285 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000560913858 483888398 /nfs/dbraw/zinc/88/83/98/483888398.db2.gz XRKKMEVMJLTSLW-NSHDSACASA-N -1 0 350.441 -0.285 20 0 FBADRM COC(=O)CNC(=O)C[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000560937611 483889056 /nfs/dbraw/zinc/88/90/56/483889056.db2.gz HVKIBNFTVJASNV-UHFFFAOYSA-N -1 0 358.269 -0.190 20 0 FBADRM COc1cc(C(=O)N(C)[C@@H]2COC[C@H]2O)cc([N-]S(C)(=O)=O)c1OC ZINC000561224592 483897608 /nfs/dbraw/zinc/89/76/08/483897608.db2.gz FDODQBUBVANFEQ-VXGBXAGGSA-N -1 0 374.415 -0.093 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N(C)[C@@H]2COC[C@H]2O)c1 ZINC000561226174 483897362 /nfs/dbraw/zinc/89/73/62/483897362.db2.gz XJASTNPEBJDGRD-ZIAGYGMSSA-N -1 0 371.415 -0.152 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000561530619 483910809 /nfs/dbraw/zinc/91/08/09/483910809.db2.gz GQWIXENVMAWDHO-CYBMUJFWSA-N -1 0 371.415 -0.232 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000561530620 483910603 /nfs/dbraw/zinc/91/06/03/483910603.db2.gz GQWIXENVMAWDHO-ZDUSSCGKSA-N -1 0 371.415 -0.232 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)NC1(C(=O)[O-])Cc2ccccc2C1 ZINC000561532641 483910161 /nfs/dbraw/zinc/91/01/61/483910161.db2.gz AGUHBRFKTIABRX-UHFFFAOYSA-N -1 0 355.416 -0.153 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)N2CCOC[C@@H]2C(=O)[O-])s1 ZINC000561532904 483910401 /nfs/dbraw/zinc/91/04/01/483910401.db2.gz VOKPOVNIEXSMAI-SECBINFHSA-N -1 0 363.417 -0.349 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)N2CCOC[C@H]2C(=O)[O-])s1 ZINC000561532905 483910577 /nfs/dbraw/zinc/91/05/77/483910577.db2.gz VOKPOVNIEXSMAI-VIFPVBQESA-N -1 0 363.417 -0.349 20 0 FBADRM CCS(=O)(=O)N1CCN(S(=O)(=O)[N-]CC(F)(F)F)[C@H](C)C1 ZINC000561564076 483912485 /nfs/dbraw/zinc/91/24/85/483912485.db2.gz HROVSCBULUODOZ-MRVPVSSYSA-N -1 0 353.388 -0.261 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCC(N)=O)c1 ZINC000561688704 483922391 /nfs/dbraw/zinc/92/23/91/483922391.db2.gz AXCSRPNWSPACLO-UHFFFAOYSA-N -1 0 351.388 -0.256 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)s1 ZINC000561697648 483922480 /nfs/dbraw/zinc/92/24/80/483922480.db2.gz RLHAGTUHOUPUKQ-UHFFFAOYSA-N -1 0 358.405 -0.026 20 0 FBADRM C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CCC(=O)[O-])CC2)C[C@H](C)O1 ZINC000561705605 483922135 /nfs/dbraw/zinc/92/21/35/483922135.db2.gz KXLWIDZKJZGTDH-RYUDHWBXSA-N -1 0 363.436 -0.651 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CCC(=O)[O-])CC2)C[C@H](C)O1 ZINC000561705606 483921798 /nfs/dbraw/zinc/92/17/98/483921798.db2.gz KXLWIDZKJZGTDH-TXEJJXNPSA-N -1 0 363.436 -0.651 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CCC(=O)[O-])CC2)C[C@@H](C)O1 ZINC000561705607 483922594 /nfs/dbraw/zinc/92/25/94/483922594.db2.gz KXLWIDZKJZGTDH-VXGBXAGGSA-N -1 0 363.436 -0.651 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c(F)c1 ZINC000561849443 483937829 /nfs/dbraw/zinc/93/78/29/483937829.db2.gz VRALXBTZPXILLV-UHFFFAOYSA-N -1 0 362.335 -0.519 20 0 FBADRM COc1cc(C[N-]S(=O)(=O)c2c(C)onc2N)ccc1OCC(N)=O ZINC000561994592 484524577 /nfs/dbraw/zinc/52/45/77/484524577.db2.gz KUMVTYYFWIONDH-UHFFFAOYSA-N -1 0 370.387 -0.084 20 0 FBADRM CCCc1nc(=NC(=O)Nc2cnn(CC(=O)NCCO)c2)s[n-]1 ZINC000562035007 483963960 /nfs/dbraw/zinc/96/39/60/483963960.db2.gz FAUPDJCQKKTLHV-UHFFFAOYSA-N -1 0 353.408 -0.139 20 0 FBADRM CN(C)S(=O)(=O)CCNC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000562156723 483977865 /nfs/dbraw/zinc/97/78/65/483977865.db2.gz HTOAVZQJEGDKRI-UHFFFAOYSA-N -1 0 363.465 -0.796 20 0 FBADRM C[C@H](CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)S(C)(=O)=O ZINC000562177836 483981127 /nfs/dbraw/zinc/98/11/27/483981127.db2.gz RQMCGLNRKYSJFC-MRVPVSSYSA-N -1 0 370.399 -0.208 20 0 FBADRM C[C@@H](CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)S(C)(=O)=O ZINC000562177840 483981686 /nfs/dbraw/zinc/98/16/86/483981686.db2.gz RQMCGLNRKYSJFC-QMMMGPOBSA-N -1 0 370.399 -0.208 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)Nc3ncn(C)n3)cc2)[n-]1 ZINC000562186097 484258951 /nfs/dbraw/zinc/25/89/51/484258951.db2.gz GEBCXRLJCVYODX-UHFFFAOYSA-N -1 0 356.342 0.262 20 0 FBADRM CN(C)C(=O)Cn1cnc(=NC(=O)N=c2cc(OC(F)F)n(C)[nH]2)[n-]1 ZINC000562193876 483982788 /nfs/dbraw/zinc/98/27/88/483982788.db2.gz COLYSYOEZJIYIH-UHFFFAOYSA-N -1 0 358.309 -0.811 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1C[C@@H]2COC[C@H](C1)O2 ZINC000562208552 483984785 /nfs/dbraw/zinc/98/47/85/483984785.db2.gz WPJIRIUXOFDNNV-AOOOYVTPSA-N -1 0 362.354 -0.131 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)CCO)cc1 ZINC000562228183 483986805 /nfs/dbraw/zinc/98/68/05/483986805.db2.gz SHHKYZRKBFJHTP-UHFFFAOYSA-N -1 0 351.402 -0.243 20 0 FBADRM COC(=O)Cc1cccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000562231810 483986490 /nfs/dbraw/zinc/98/64/90/483986490.db2.gz ONEOCPXDCKHSLU-UHFFFAOYSA-N -1 0 368.371 -0.443 20 0 FBADRM Cc1cc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)n2ncnc2n1 ZINC000562236269 483986238 /nfs/dbraw/zinc/98/62/38/483986238.db2.gz DPJDKARSPHHCQK-UHFFFAOYSA-N -1 0 368.400 -0.119 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccncc2C(=O)OC)cn1C ZINC000562236340 483986657 /nfs/dbraw/zinc/98/66/57/483986657.db2.gz GSHYSQYGSRTFTQ-UHFFFAOYSA-N -1 0 352.372 -0.211 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC000562308261 483993473 /nfs/dbraw/zinc/99/34/73/483993473.db2.gz CKWMIQNYTGGOFZ-GRYCIOLGSA-N -1 0 364.420 -0.584 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC000562308262 483994369 /nfs/dbraw/zinc/99/43/69/483994369.db2.gz CKWMIQNYTGGOFZ-SDDRHHMPSA-N -1 0 364.420 -0.584 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC000562308263 483994759 /nfs/dbraw/zinc/99/47/59/483994759.db2.gz CKWMIQNYTGGOFZ-SRVKXCTJSA-N -1 0 364.420 -0.584 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC000562308264 483994515 /nfs/dbraw/zinc/99/45/15/483994515.db2.gz CKWMIQNYTGGOFZ-WOPDTQHZSA-N -1 0 364.420 -0.584 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1=O ZINC000562309837 483994267 /nfs/dbraw/zinc/99/42/67/483994267.db2.gz ARGQVEBUJVEWMJ-MPKXVKKWSA-N -1 0 351.403 -0.176 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1=O ZINC000562309838 483993378 /nfs/dbraw/zinc/99/33/78/483993378.db2.gz ARGQVEBUJVEWMJ-SCDSUCTJSA-N -1 0 351.403 -0.176 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)[C@H]2CC(=O)N(C3CC3)C2)C1=O ZINC000562309839 483993940 /nfs/dbraw/zinc/99/39/40/483993940.db2.gz ARGQVEBUJVEWMJ-VHRBIJSZSA-N -1 0 351.403 -0.176 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)[C@H]2CC(=O)N(C3CC3)C2)C1=O ZINC000562309840 483994525 /nfs/dbraw/zinc/99/45/25/483994525.db2.gz ARGQVEBUJVEWMJ-ZKYQVNSYSA-N -1 0 351.403 -0.176 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nn2)c(=O)n(C)c1=O ZINC000562318986 483993571 /nfs/dbraw/zinc/99/35/71/483993571.db2.gz LKTKPQSIOCSHCD-UHFFFAOYSA-N -1 0 365.293 -0.306 20 0 FBADRM NC(=O)CC[C@H](NS(=O)(=O)c1cnn(-c2ccccc2)c1)C(=O)[O-] ZINC000562321620 483993794 /nfs/dbraw/zinc/99/37/94/483993794.db2.gz SRCDIWBGXPECDO-LBPRGKRZSA-N -1 0 352.372 -0.131 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)CCO1 ZINC000562355401 483998583 /nfs/dbraw/zinc/99/85/83/483998583.db2.gz MCZRKZFQVUVFHG-LLVKDONJSA-N -1 0 360.326 -0.242 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)CCO1 ZINC000562355405 483998170 /nfs/dbraw/zinc/99/81/70/483998170.db2.gz MCZRKZFQVUVFHG-NSHDSACASA-N -1 0 360.326 -0.242 20 0 FBADRM COC(=O)C1(CS(=O)(=O)NCCC(=O)NCC(=O)[O-])CCCCC1 ZINC000562373463 483999732 /nfs/dbraw/zinc/99/97/32/483999732.db2.gz PTSMDDBPFKWNFY-UHFFFAOYSA-N -1 0 364.420 -0.380 20 0 FBADRM COC[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000562384510 484000202 /nfs/dbraw/zinc/00/02/02/484000202.db2.gz QHFYOJWGSUGIHH-LLVKDONJSA-N -1 0 359.404 -0.164 20 0 FBADRM COC[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000562384511 484000497 /nfs/dbraw/zinc/00/04/97/484000497.db2.gz QHFYOJWGSUGIHH-NSHDSACASA-N -1 0 359.404 -0.164 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)NC[C@@H](CC(=O)[O-])OC)OCC(=O)N2 ZINC000562388537 484000106 /nfs/dbraw/zinc/00/01/06/484000106.db2.gz JBXNTCIWCKWLJR-MRVPVSSYSA-N -1 0 374.371 -0.206 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)NC[C@H](CC(=O)[O-])OC)OCC(=O)N2 ZINC000562388538 484000685 /nfs/dbraw/zinc/00/06/85/484000685.db2.gz JBXNTCIWCKWLJR-QMMMGPOBSA-N -1 0 374.371 -0.206 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000562390880 484000433 /nfs/dbraw/zinc/00/04/33/484000433.db2.gz MLHUEYQUEIKDLE-MNOVXSKESA-N -1 0 356.466 -0.121 20 0 FBADRM CCc1oc(C(=O)OC)cc1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000562393042 484000631 /nfs/dbraw/zinc/00/06/31/484000631.db2.gz DSMLMLAIAKAXRF-UHFFFAOYSA-N -1 0 372.359 -0.103 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)n1 ZINC000562395540 484366788 /nfs/dbraw/zinc/36/67/88/484366788.db2.gz JZAFARXQTHLMJQ-UHFFFAOYSA-N -1 0 370.325 0.365 20 0 FBADRM O=C([O-])[C@]1(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)CCOC1 ZINC000562398613 483999280 /nfs/dbraw/zinc/99/92/80/483999280.db2.gz DFZSACVXXITHDV-INIZCTEOSA-N -1 0 360.326 -0.195 20 0 FBADRM O=C([O-])[C@@]1(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)CCOC1 ZINC000562398614 484000620 /nfs/dbraw/zinc/00/06/20/484000620.db2.gz DFZSACVXXITHDV-MRXNPFEDSA-N -1 0 360.326 -0.195 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)N[C@@](C)(COC)C(=O)[O-])c1 ZINC000562410984 484002346 /nfs/dbraw/zinc/00/23/46/484002346.db2.gz RCDADTUSAQZMJF-AWEZNQCLSA-N -1 0 359.404 -0.116 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)N[C@](C)(COC)C(=O)[O-])c1 ZINC000562410985 484002487 /nfs/dbraw/zinc/00/24/87/484002487.db2.gz RCDADTUSAQZMJF-CQSZACIVSA-N -1 0 359.404 -0.116 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000562426983 484001511 /nfs/dbraw/zinc/00/15/11/484001511.db2.gz SNQHIJHDAWTNGG-NEPJUHHUSA-N -1 0 365.452 -0.068 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-] ZINC000562426986 484002023 /nfs/dbraw/zinc/00/20/23/484002023.db2.gz SNQHIJHDAWTNGG-NWDGAFQWSA-N -1 0 365.452 -0.068 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-] ZINC000562426987 484001600 /nfs/dbraw/zinc/00/16/00/484001600.db2.gz SNQHIJHDAWTNGG-RYUDHWBXSA-N -1 0 365.452 -0.068 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC000562426988 484001932 /nfs/dbraw/zinc/00/19/32/484001932.db2.gz SNQHIJHDAWTNGG-VXGBXAGGSA-N -1 0 365.452 -0.068 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000562427040 484001906 /nfs/dbraw/zinc/00/19/06/484001906.db2.gz VVEZTKFXKOHDDR-UHFFFAOYSA-N -1 0 365.452 -0.067 20 0 FBADRM Cn1ccc([C@@H](NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)C(=O)[O-])n1 ZINC000562429715 484003345 /nfs/dbraw/zinc/00/33/45/484003345.db2.gz FGZPTCMAUDCVTI-GXSJLCMTSA-N -1 0 359.408 -0.731 20 0 FBADRM Cn1ccc([C@H](NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)C(=O)[O-])n1 ZINC000562429716 484003871 /nfs/dbraw/zinc/00/38/71/484003871.db2.gz FGZPTCMAUDCVTI-KOLCDFICSA-N -1 0 359.408 -0.731 20 0 FBADRM Cn1ccc([C@@H](NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)C(=O)[O-])n1 ZINC000562429717 484003900 /nfs/dbraw/zinc/00/39/00/484003900.db2.gz FGZPTCMAUDCVTI-MWLCHTKSSA-N -1 0 359.408 -0.731 20 0 FBADRM Cn1ccc([C@H](NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)C(=O)[O-])n1 ZINC000562429718 484004011 /nfs/dbraw/zinc/00/40/11/484004011.db2.gz FGZPTCMAUDCVTI-ONGXEEELSA-N -1 0 359.408 -0.731 20 0 FBADRM CCn1nnnc1-c1cccc(NC(=O)N2CC(=O)NC[C@@H]2C(=O)[O-])c1 ZINC000562433589 484003961 /nfs/dbraw/zinc/00/39/61/484003961.db2.gz GXLIVHNOKAXXEU-LLVKDONJSA-N -1 0 359.346 -0.223 20 0 FBADRM CCn1nnnc1-c1cccc(NC(=O)N2CC(=O)NC[C@H]2C(=O)[O-])c1 ZINC000562433590 484004398 /nfs/dbraw/zinc/00/43/98/484004398.db2.gz GXLIVHNOKAXXEU-NSHDSACASA-N -1 0 359.346 -0.223 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCCC(C)(C)[C@@H]1C(=O)[O-] ZINC000562435106 484004361 /nfs/dbraw/zinc/00/43/61/484004361.db2.gz KPMQDYFBRLMKNN-JTQLQIEISA-N -1 0 356.466 -0.169 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCCC(C)(C)[C@H]1C(=O)[O-] ZINC000562435109 484004320 /nfs/dbraw/zinc/00/43/20/484004320.db2.gz KPMQDYFBRLMKNN-SNVBAGLBSA-N -1 0 356.466 -0.169 20 0 FBADRM CC(=O)Nc1ccc(C)c(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c1 ZINC000562489212 484008235 /nfs/dbraw/zinc/00/82/35/484008235.db2.gz ASHQDOVSTNBFNU-UHFFFAOYSA-N -1 0 357.388 -0.177 20 0 FBADRM CC1(C)C(=O)Nc2ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc21 ZINC000562489496 484008041 /nfs/dbraw/zinc/00/80/41/484008041.db2.gz PUNAFCGUMRUQJW-UHFFFAOYSA-N -1 0 369.399 -0.215 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000562501066 484008524 /nfs/dbraw/zinc/00/85/24/484008524.db2.gz QPHNCXWMLITDQX-UHFFFAOYSA-N -1 0 352.372 -0.125 20 0 FBADRM O=C([O-])Cn1cc(CNC(=O)[C@H]2CSCN2C(=O)C2CCC2)nn1 ZINC000562505258 484010869 /nfs/dbraw/zinc/01/08/69/484010869.db2.gz LODGFZVNKCVCMV-LLVKDONJSA-N -1 0 353.404 -0.320 20 0 FBADRM O=C([O-])Cn1cc(CNC(=O)[C@@H]2CSCN2C(=O)C2CCC2)nn1 ZINC000562505259 484010947 /nfs/dbraw/zinc/01/09/47/484010947.db2.gz LODGFZVNKCVCMV-NSHDSACASA-N -1 0 353.404 -0.320 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1C(N)=O ZINC000562522921 484010625 /nfs/dbraw/zinc/01/06/25/484010625.db2.gz RZYWTERYAFVCOA-UHFFFAOYSA-N -1 0 351.344 -0.349 20 0 FBADRM CC(=O)N(C)c1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1 ZINC000562580150 484013270 /nfs/dbraw/zinc/01/32/70/484013270.db2.gz BGXWVKGLHOBOKX-UHFFFAOYSA-N -1 0 357.388 -0.462 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)OC)C(=O)[O-] ZINC000562643758 484014773 /nfs/dbraw/zinc/01/47/73/484014773.db2.gz UDGSGJFVLDANIT-AEJSXWLSSA-N -1 0 351.377 -0.346 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)OC)C(=O)[O-] ZINC000562643767 484014834 /nfs/dbraw/zinc/01/48/34/484014834.db2.gz UDGSGJFVLDANIT-BBBLOLIVSA-N -1 0 351.377 -0.346 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)OC)C(=O)[O-] ZINC000562643769 484015863 /nfs/dbraw/zinc/01/58/63/484015863.db2.gz UDGSGJFVLDANIT-IVZWLZJFSA-N -1 0 351.377 -0.346 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)OC)C(=O)[O-] ZINC000562643771 484015930 /nfs/dbraw/zinc/01/59/30/484015930.db2.gz UDGSGJFVLDANIT-OPRDCNLKSA-N -1 0 351.377 -0.346 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cccc2c1OC(F)(F)O2 ZINC000562737214 484022262 /nfs/dbraw/zinc/02/22/62/484022262.db2.gz WNUSRHIIYDEXHM-UHFFFAOYSA-N -1 0 352.271 -0.513 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1ccc(OC)cc1CC(=O)OC)C(=O)[O-] ZINC000562737800 484021670 /nfs/dbraw/zinc/02/16/70/484021670.db2.gz PCZYZTIUMUUVGE-LLVKDONJSA-N -1 0 361.372 -0.211 20 0 FBADRM COC[C@H](NS(=O)(=O)c1ccc(OC)cc1CC(=O)OC)C(=O)[O-] ZINC000562737801 484022110 /nfs/dbraw/zinc/02/21/10/484022110.db2.gz PCZYZTIUMUUVGE-NSHDSACASA-N -1 0 361.372 -0.211 20 0 FBADRM CN1CC[C@H](NC(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)C1=O ZINC000562740406 484022567 /nfs/dbraw/zinc/02/25/67/484022567.db2.gz FCAXPGRRNHUHOG-BFHYXJOUSA-N -1 0 374.397 -0.057 20 0 FBADRM CN1CC[C@H](NC(=O)N[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)C1=O ZINC000562740407 484021812 /nfs/dbraw/zinc/02/18/12/484021812.db2.gz FCAXPGRRNHUHOG-IHRRRGAJSA-N -1 0 374.397 -0.057 20 0 FBADRM CN1CC[C@H](NC(=O)N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)C1=O ZINC000562740408 484022097 /nfs/dbraw/zinc/02/20/97/484022097.db2.gz FCAXPGRRNHUHOG-MELADBBJSA-N -1 0 374.397 -0.057 20 0 FBADRM CN1CC[C@H](NC(=O)N[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)C1=O ZINC000562740409 484022949 /nfs/dbraw/zinc/02/29/49/484022949.db2.gz FCAXPGRRNHUHOG-MJBXVCDLSA-N -1 0 374.397 -0.057 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000562874356 484037068 /nfs/dbraw/zinc/03/70/68/484037068.db2.gz RQAYIOKOYVDQLQ-UHFFFAOYSA-N -1 0 366.436 -0.575 20 0 FBADRM COC(=O)C1(CS(=O)(=O)NCc2cn(CC(=O)[O-])nn2)CCCCC1 ZINC000562924635 484057978 /nfs/dbraw/zinc/05/79/78/484057978.db2.gz XLOWHQRRHQBOSC-UHFFFAOYSA-N -1 0 374.419 -0.094 20 0 FBADRM CCCN(C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H](COC)C(=O)[O-] ZINC000562931612 484059144 /nfs/dbraw/zinc/05/91/44/484059144.db2.gz HEVGJQADQGQZOP-NEPJUHHUSA-N -1 0 365.452 -0.068 20 0 FBADRM CCCN(C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)[C@H](COC)C(=O)[O-] ZINC000562931618 484059553 /nfs/dbraw/zinc/05/95/53/484059553.db2.gz HEVGJQADQGQZOP-NWDGAFQWSA-N -1 0 365.452 -0.068 20 0 FBADRM CCCN(C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H](COC)C(=O)[O-] ZINC000562931620 484059594 /nfs/dbraw/zinc/05/95/94/484059594.db2.gz HEVGJQADQGQZOP-RYUDHWBXSA-N -1 0 365.452 -0.068 20 0 FBADRM CCCN(C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)[C@H](COC)C(=O)[O-] ZINC000562931622 484059752 /nfs/dbraw/zinc/05/97/52/484059752.db2.gz HEVGJQADQGQZOP-VXGBXAGGSA-N -1 0 365.452 -0.068 20 0 FBADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2cncc(C(=O)OC)c2)n1 ZINC000562966626 484193403 /nfs/dbraw/zinc/19/34/03/484193403.db2.gz AZETXVGPZFMXLK-UHFFFAOYSA-N -1 0 369.359 -0.176 20 0 FBADRM COc1cc(OC)c(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1Cl ZINC000562967539 484211981 /nfs/dbraw/zinc/21/19/81/484211981.db2.gz LBSSUIUGJUAOGN-UHFFFAOYSA-N -1 0 366.779 -0.164 20 0 FBADRM Cc1cc(I)cn(CC(=O)NCC(=O)[O-])c1=O ZINC000562983461 484370156 /nfs/dbraw/zinc/37/01/56/484370156.db2.gz PKOXWMLDHRUPPD-UHFFFAOYSA-N -1 0 350.112 -0.038 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC000562995521 484388048 /nfs/dbraw/zinc/38/80/48/484388048.db2.gz UTLMESGCSCWMJI-CYBMUJFWSA-N -1 0 354.425 -0.751 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC000562995528 484388853 /nfs/dbraw/zinc/38/88/53/484388853.db2.gz UTLMESGCSCWMJI-ZDUSSCGKSA-N -1 0 354.425 -0.751 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000563067281 483519417 /nfs/dbraw/zinc/51/94/17/483519417.db2.gz DARKBTSUTDZXFG-LLVKDONJSA-N -1 0 369.465 -0.959 20 0 FBADRM CCc1nn(C)c(OC)c1CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000563068952 483531960 /nfs/dbraw/zinc/53/19/60/483531960.db2.gz RBKHBFSHVHKZLU-UHFFFAOYSA-N -1 0 357.392 -0.249 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1 ZINC000563069967 483537123 /nfs/dbraw/zinc/53/71/23/483537123.db2.gz QUISCNPWJSEOAG-UHFFFAOYSA-N -1 0 368.477 -0.025 20 0 FBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000563070646 483549267 /nfs/dbraw/zinc/54/92/67/483549267.db2.gz GHAOUZXOBVDHMI-GMTAPVOTSA-N -1 0 356.466 -0.219 20 0 FBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000563070647 483549939 /nfs/dbraw/zinc/54/99/39/483549939.db2.gz GHAOUZXOBVDHMI-MXWKQRLJSA-N -1 0 356.466 -0.219 20 0 FBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000563070648 483550077 /nfs/dbraw/zinc/55/00/77/483550077.db2.gz GHAOUZXOBVDHMI-OUAUKWLOSA-N -1 0 356.466 -0.219 20 0 FBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000563070649 483550324 /nfs/dbraw/zinc/55/03/24/483550324.db2.gz GHAOUZXOBVDHMI-VWYCJHECSA-N -1 0 356.466 -0.219 20 0 FBADRM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000563071276 483554633 /nfs/dbraw/zinc/55/46/33/483554633.db2.gz ZJVHATYGDQNKKJ-GHMZBOCLSA-N -1 0 356.466 -0.217 20 0 FBADRM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000563071281 483554854 /nfs/dbraw/zinc/55/48/54/483554854.db2.gz ZJVHATYGDQNKKJ-MNOVXSKESA-N -1 0 356.466 -0.217 20 0 FBADRM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000563071282 483554381 /nfs/dbraw/zinc/55/43/81/483554381.db2.gz ZJVHATYGDQNKKJ-QWRGUYRKSA-N -1 0 356.466 -0.217 20 0 FBADRM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000563071283 483554615 /nfs/dbraw/zinc/55/46/15/483554615.db2.gz ZJVHATYGDQNKKJ-WDEREUQCSA-N -1 0 356.466 -0.217 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)CC1 ZINC000563071706 658692892 /nfs/dbraw/zinc/69/28/92/658692892.db2.gz DWICPTAMKRVVBE-LLVKDONJSA-N -1 0 354.450 -0.559 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@H](C(=O)[O-])C2CC2)CC1 ZINC000563071709 658693211 /nfs/dbraw/zinc/69/32/11/658693211.db2.gz DWICPTAMKRVVBE-NSHDSACASA-N -1 0 354.450 -0.559 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)NCCSCC(=O)[O-] ZINC000563071739 483556399 /nfs/dbraw/zinc/55/63/99/483556399.db2.gz GPFMEGCHUGXDPU-UHFFFAOYSA-N -1 0 368.458 -0.309 20 0 FBADRM CS(=O)(=O)C1CCC(NS(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1 ZINC000563072463 483562964 /nfs/dbraw/zinc/56/29/64/483562964.db2.gz MBMPBYSVFMQSHF-UHFFFAOYSA-N -1 0 351.406 -0.258 20 0 FBADRM CS(=O)(=O)N1CCC(CNS(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000563074753 483578478 /nfs/dbraw/zinc/57/84/78/483578478.db2.gz BVEVSPVDDCRKRH-UHFFFAOYSA-N -1 0 366.417 -0.072 20 0 FBADRM CCS(=O)(=O)N(C)CCCNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC000563075100 483611875 /nfs/dbraw/zinc/61/18/75/483611875.db2.gz JWTKLJKOKZAKEV-UHFFFAOYSA-N -1 0 365.433 -0.270 20 0 FBADRM O=C([O-])[C@H]1Cc2cc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)ccc2O1 ZINC000563075258 483613845 /nfs/dbraw/zinc/61/38/45/483613845.db2.gz ADCLXCDYUAYRDS-BXKDBHETSA-N -1 0 361.397 -0.460 20 0 FBADRM O=C([O-])[C@@H]1Cc2cc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)ccc2O1 ZINC000563075262 483614558 /nfs/dbraw/zinc/61/45/58/483614558.db2.gz ADCLXCDYUAYRDS-CABZTGNLSA-N -1 0 361.397 -0.460 20 0 FBADRM O=C([O-])[C@H]1Cc2cc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)ccc2O1 ZINC000563075263 483614394 /nfs/dbraw/zinc/61/43/94/483614394.db2.gz ADCLXCDYUAYRDS-JOYOIKCWSA-N -1 0 361.397 -0.460 20 0 FBADRM O=C([O-])[C@@H]1Cc2cc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)ccc2O1 ZINC000563075264 483614325 /nfs/dbraw/zinc/61/43/25/483614325.db2.gz ADCLXCDYUAYRDS-SKDRFNHKSA-N -1 0 361.397 -0.460 20 0 FBADRM CS(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000563075330 483613748 /nfs/dbraw/zinc/61/37/48/483613748.db2.gz RKXLCOQOUIYHEI-UHFFFAOYSA-N -1 0 363.417 -0.564 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c(C(=O)[O-])c1 ZINC000563075508 483616961 /nfs/dbraw/zinc/61/69/61/483616961.db2.gz VGSXZGQOYNXUCH-UHFFFAOYSA-N -1 0 362.429 -0.041 20 0 FBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)NCCS(=O)(=O)c1ccccc1 ZINC000563075552 483617363 /nfs/dbraw/zinc/61/73/63/483617363.db2.gz JNAKPGOWEHLYIB-GFCCVEGCSA-N -1 0 362.429 -0.156 20 0 FBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCS(=O)(=O)c1ccccc1 ZINC000563075555 483617093 /nfs/dbraw/zinc/61/70/93/483617093.db2.gz JNAKPGOWEHLYIB-LBPRGKRZSA-N -1 0 362.429 -0.156 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000563079711 483724862 /nfs/dbraw/zinc/72/48/62/483724862.db2.gz ABCFKXGXVAMKGC-UHFFFAOYSA-N -1 0 371.462 -0.758 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000563079886 483723916 /nfs/dbraw/zinc/72/39/16/483723916.db2.gz HLCRBQOLNPDZPC-GFCCVEGCSA-N -1 0 368.477 -0.216 20 0 FBADRM O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000563080018 483732309 /nfs/dbraw/zinc/73/23/09/483732309.db2.gz OKIGARLQTVCWAU-PHIMTYICSA-N -1 0 362.429 -0.253 20 0 FBADRM O=C([O-])Cn1cc(CNS(=O)(=O)c2ccc3c(c2)C(=O)CCO3)nn1 ZINC000563080051 483736225 /nfs/dbraw/zinc/73/62/25/483736225.db2.gz OUWRWEHIIYSCHO-UHFFFAOYSA-N -1 0 366.355 -0.194 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](CF)C(=O)[O-])c1 ZINC000563080611 483748797 /nfs/dbraw/zinc/74/87/97/483748797.db2.gz KDFKSBZRVUEICG-JTQLQIEISA-N -1 0 354.381 -0.362 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H](CF)C(=O)[O-])c1 ZINC000563080615 483748948 /nfs/dbraw/zinc/74/89/48/483748948.db2.gz KDFKSBZRVUEICG-SNVBAGLBSA-N -1 0 354.381 -0.362 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000563081390 483752546 /nfs/dbraw/zinc/75/25/46/483752546.db2.gz XQEFLDRJERNWJV-CMPLNLGQSA-N -1 0 356.466 -0.121 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000563081391 483752252 /nfs/dbraw/zinc/75/22/52/483752252.db2.gz XQEFLDRJERNWJV-JQWIXIFHSA-N -1 0 356.466 -0.121 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000563081392 483752431 /nfs/dbraw/zinc/75/24/31/483752431.db2.gz XQEFLDRJERNWJV-PWSUYJOCSA-N -1 0 356.466 -0.121 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000563081393 483752212 /nfs/dbraw/zinc/75/22/12/483752212.db2.gz XQEFLDRJERNWJV-ZYHUDNBSSA-N -1 0 356.466 -0.121 20 0 FBADRM CCC[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000563082393 483759784 /nfs/dbraw/zinc/75/97/84/483759784.db2.gz WSTURVIEXVYGGB-LLVKDONJSA-N -1 0 356.466 -0.169 20 0 FBADRM CCC[C@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000563082394 483759839 /nfs/dbraw/zinc/75/98/39/483759839.db2.gz WSTURVIEXVYGGB-NSHDSACASA-N -1 0 356.466 -0.169 20 0 FBADRM C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000563127212 483864378 /nfs/dbraw/zinc/86/43/78/483864378.db2.gz LEKMOZPQUIHJAT-HZSPNIEDSA-N -1 0 367.446 -0.265 20 0 FBADRM C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000563127213 483864348 /nfs/dbraw/zinc/86/43/48/483864348.db2.gz LEKMOZPQUIHJAT-MELADBBJSA-N -1 0 367.446 -0.265 20 0 FBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)O1 ZINC000563127736 483864101 /nfs/dbraw/zinc/86/41/01/483864101.db2.gz QYKIBEBZLPSAOH-JIMOISOXSA-N -1 0 353.327 -0.097 20 0 FBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)O1 ZINC000563127737 483864133 /nfs/dbraw/zinc/86/41/33/483864133.db2.gz QYKIBEBZLPSAOH-TVYUQYBPSA-N -1 0 353.327 -0.097 20 0 FBADRM Cc1nc2c(cnn2C)c(N2CCN(C(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)CC2)n1 ZINC000563128937 483864482 /nfs/dbraw/zinc/86/44/82/483864482.db2.gz QBPMOAPDDSDSPR-QWHCGFSZSA-N -1 0 374.401 -0.047 20 0 FBADRM CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000563131383 483864684 /nfs/dbraw/zinc/86/46/84/483864684.db2.gz ILIBICGYFUVDPC-FPMFFAJLSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000563131384 483864527 /nfs/dbraw/zinc/86/45/27/483864527.db2.gz ILIBICGYFUVDPC-KWCYVHTRSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000563131385 483864779 /nfs/dbraw/zinc/86/47/79/483864779.db2.gz ILIBICGYFUVDPC-UBHSHLNASA-N -1 0 353.419 -0.070 20 0 FBADRM CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000563131386 483864632 /nfs/dbraw/zinc/86/46/32/483864632.db2.gz ILIBICGYFUVDPC-XBFCOCLRSA-N -1 0 353.419 -0.070 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)CC(=O)[O-])cc1 ZINC000563131884 483864810 /nfs/dbraw/zinc/86/48/10/483864810.db2.gz AKEZXAMVFSLZQF-UHFFFAOYSA-N -1 0 358.372 -0.315 20 0 FBADRM O=C([O-])c1cccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)c1 ZINC000563132608 483864586 /nfs/dbraw/zinc/86/45/86/483864586.db2.gz VLYPEAOHNGMNPV-UHFFFAOYSA-N -1 0 355.372 -0.525 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000563132843 483864717 /nfs/dbraw/zinc/86/47/17/483864717.db2.gz ATMGJLXPONFMLU-GFCCVEGCSA-N -1 0 369.399 -0.137 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000563132847 483864789 /nfs/dbraw/zinc/86/47/89/483864789.db2.gz ATMGJLXPONFMLU-LBPRGKRZSA-N -1 0 369.399 -0.137 20 0 FBADRM COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000563132974 483864601 /nfs/dbraw/zinc/86/46/01/483864601.db2.gz CCLOBOWAHSSGSC-PSASIEDQSA-N -1 0 352.347 -0.286 20 0 FBADRM COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000563132975 483864884 /nfs/dbraw/zinc/86/48/84/483864884.db2.gz CCLOBOWAHSSGSC-SCZZXKLOSA-N -1 0 352.347 -0.286 20 0 FBADRM COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000563132976 483864559 /nfs/dbraw/zinc/86/45/59/483864559.db2.gz CCLOBOWAHSSGSC-WCBMZHEXSA-N -1 0 352.347 -0.286 20 0 FBADRM COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000563132977 483864676 /nfs/dbraw/zinc/86/46/76/483864676.db2.gz CCLOBOWAHSSGSC-WPRPVWTQSA-N -1 0 352.347 -0.286 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCC(=O)[O-])c1 ZINC000563133217 483864827 /nfs/dbraw/zinc/86/48/27/483864827.db2.gz WUORZOCKXQKSKB-UHFFFAOYSA-N -1 0 357.388 -0.742 20 0 FBADRM COCCNC(=O)c1cccc(NC(=O)C(=O)NCCCC(=O)[O-])c1 ZINC000563133585 483864686 /nfs/dbraw/zinc/86/46/86/483864686.db2.gz KFQHBUSLSZCPPM-UHFFFAOYSA-N -1 0 351.359 -0.018 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)C[C@@H]1C(=O)[O-] ZINC000563140921 483866343 /nfs/dbraw/zinc/86/63/43/483866343.db2.gz IKCXAYZCXGMGSP-ILXRZTDVSA-N -1 0 367.446 -0.121 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)C[C@@H]1C(=O)[O-] ZINC000563140923 483866280 /nfs/dbraw/zinc/86/62/80/483866280.db2.gz IKCXAYZCXGMGSP-KKUMJFAQSA-N -1 0 367.446 -0.121 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)C[C@H]1C(=O)[O-] ZINC000563140925 483866184 /nfs/dbraw/zinc/86/61/84/483866184.db2.gz IKCXAYZCXGMGSP-QLFBSQMISA-N -1 0 367.446 -0.121 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)C[C@H]1C(=O)[O-] ZINC000563140927 483866218 /nfs/dbraw/zinc/86/62/18/483866218.db2.gz IKCXAYZCXGMGSP-SOUVJXGZSA-N -1 0 367.446 -0.121 20 0 FBADRM COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)NCCCC(=O)[O-])C2)nn1 ZINC000563141066 483866010 /nfs/dbraw/zinc/86/60/10/483866010.db2.gz AQTLQUSDJMBDJZ-JTQLQIEISA-N -1 0 367.362 -0.791 20 0 FBADRM COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)NCCCC(=O)[O-])C2)nn1 ZINC000563141073 483866163 /nfs/dbraw/zinc/86/61/63/483866163.db2.gz AQTLQUSDJMBDJZ-SNVBAGLBSA-N -1 0 367.362 -0.791 20 0 FBADRM Cc1cc(C(=O)N2CCN(C(=O)C(=O)NCCCC(=O)[O-])[C@H](C)C2)[nH]n1 ZINC000563141220 483866084 /nfs/dbraw/zinc/86/60/84/483866084.db2.gz HDUIWBDSDBOXRD-LLVKDONJSA-N -1 0 365.390 -0.628 20 0 FBADRM CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)[O-] ZINC000563141354 483865924 /nfs/dbraw/zinc/86/59/24/483865924.db2.gz IZHTYKHADTUQFK-GFCCVEGCSA-N -1 0 357.388 -0.097 20 0 FBADRM COc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](C(=O)[O-])C2)cc1OC ZINC000563141975 483866659 /nfs/dbraw/zinc/86/66/59/483866659.db2.gz LGXPWVGTDHWZDT-JTQLQIEISA-N -1 0 372.399 -0.085 20 0 FBADRM COc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1OC ZINC000563141980 483866433 /nfs/dbraw/zinc/86/64/33/483866433.db2.gz LGXPWVGTDHWZDT-SNVBAGLBSA-N -1 0 372.399 -0.085 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(C)CCC(=O)[O-])cc1 ZINC000563143193 483866223 /nfs/dbraw/zinc/86/62/23/483866223.db2.gz OTDYRCMSIAWAIS-UHFFFAOYSA-N -1 0 357.388 -0.144 20 0 FBADRM C[C@@H]1CCN(C(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)C[C@@H]1C(=O)[O-] ZINC000563144692 483866035 /nfs/dbraw/zinc/86/60/35/483866035.db2.gz YAPOOYUZEFAIBC-BDAKNGLRSA-N -1 0 363.374 -0.136 20 0 FBADRM C[C@H]1CCN(C(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)C[C@H]1C(=O)[O-] ZINC000563144701 483866166 /nfs/dbraw/zinc/86/61/66/483866166.db2.gz YAPOOYUZEFAIBC-DTWKUNHWSA-N -1 0 363.374 -0.136 20 0 FBADRM C[C@H]1CCN(C(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)C[C@@H]1C(=O)[O-] ZINC000563144702 483866049 /nfs/dbraw/zinc/86/60/49/483866049.db2.gz YAPOOYUZEFAIBC-IUCAKERBSA-N -1 0 363.374 -0.136 20 0 FBADRM C[C@@H]1CCN(C(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)C[C@H]1C(=O)[O-] ZINC000563144703 483866193 /nfs/dbraw/zinc/86/61/93/483866193.db2.gz YAPOOYUZEFAIBC-RKDXNWHRSA-N -1 0 363.374 -0.136 20 0 FBADRM O=C([O-])[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000563144992 483866698 /nfs/dbraw/zinc/86/66/98/483866698.db2.gz ZPYLHZYEVKOZMZ-JTQLQIEISA-N -1 0 352.372 -0.083 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCCNC(=O)c2cccnc2)C[C@@H]1C(=O)[O-] ZINC000563149043 483866909 /nfs/dbraw/zinc/86/69/09/483866909.db2.gz FECMARAKAWPUHZ-AAEUAGOBSA-N -1 0 362.386 -0.503 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCCNC(=O)c2cccnc2)C[C@H]1C(=O)[O-] ZINC000563149044 483866850 /nfs/dbraw/zinc/86/68/50/483866850.db2.gz FECMARAKAWPUHZ-DGCLKSJQSA-N -1 0 362.386 -0.503 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCCNC(=O)c2cccnc2)C[C@H]1C(=O)[O-] ZINC000563149045 483866914 /nfs/dbraw/zinc/86/69/14/483866914.db2.gz FECMARAKAWPUHZ-WCQYABFASA-N -1 0 362.386 -0.503 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCCNC(=O)c2cccnc2)C[C@@H]1C(=O)[O-] ZINC000563149046 483866911 /nfs/dbraw/zinc/86/69/11/483866911.db2.gz FECMARAKAWPUHZ-YPMHNXCESA-N -1 0 362.386 -0.503 20 0 FBADRM CC(=O)N1CCC(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000563149183 483867364 /nfs/dbraw/zinc/86/73/64/483867364.db2.gz GKHWPLYPJSJWEU-BXUZGUMPSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(=O)N1CCC(CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000563149184 483867522 /nfs/dbraw/zinc/86/75/22/483867522.db2.gz GKHWPLYPJSJWEU-FZMZJTMJSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(=O)N1CCC(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000563149185 483867373 /nfs/dbraw/zinc/86/73/73/483867373.db2.gz GKHWPLYPJSJWEU-RISCZKNCSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(=O)N1CCC(CNC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000563149186 483867529 /nfs/dbraw/zinc/86/75/29/483867529.db2.gz GKHWPLYPJSJWEU-SMDDNHRTSA-N -1 0 353.419 -0.070 20 0 FBADRM CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)NCCCC(=O)[O-])c1 ZINC000563149220 483867420 /nfs/dbraw/zinc/86/74/20/483867420.db2.gz HBKJTRVRJPZPHR-UHFFFAOYSA-N -1 0 371.415 -0.418 20 0 FBADRM CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)NCCCC(=O)[O-])cc1 ZINC000563149299 483867509 /nfs/dbraw/zinc/86/75/09/483867509.db2.gz HVYNXJIURKWXDX-UHFFFAOYSA-N -1 0 372.399 -0.434 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NCCCC(=O)[O-])c1 ZINC000563149379 483867229 /nfs/dbraw/zinc/86/72/29/483867229.db2.gz JBXIATCFSPWCFC-UHFFFAOYSA-N -1 0 357.388 -0.808 20 0 FBADRM COCCn1cc(CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cn1 ZINC000563151813 483868595 /nfs/dbraw/zinc/86/85/95/483868595.db2.gz XJCZLHKQWWYIGK-AAEUAGOBSA-N -1 0 352.391 -0.285 20 0 FBADRM COCCn1cc(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cn1 ZINC000563151814 483868573 /nfs/dbraw/zinc/86/85/73/483868573.db2.gz XJCZLHKQWWYIGK-DGCLKSJQSA-N -1 0 352.391 -0.285 20 0 FBADRM COCCn1cc(CNC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cn1 ZINC000563151815 483868652 /nfs/dbraw/zinc/86/86/52/483868652.db2.gz XJCZLHKQWWYIGK-WCQYABFASA-N -1 0 352.391 -0.285 20 0 FBADRM COCCn1cc(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cn1 ZINC000563151816 483868848 /nfs/dbraw/zinc/86/88/48/483868848.db2.gz XJCZLHKQWWYIGK-YPMHNXCESA-N -1 0 352.391 -0.285 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1 ZINC000563198807 483915346 /nfs/dbraw/zinc/91/53/46/483915346.db2.gz BCZAXIAQIMZGPA-UHFFFAOYSA-N -1 0 355.391 -0.937 20 0 FBADRM Cn1ccc(NCCNC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)n1 ZINC000563199925 484495211 /nfs/dbraw/zinc/49/52/11/484495211.db2.gz OQESTAJZQBCKDC-UHFFFAOYSA-N -1 0 373.385 0.205 20 0 FBADRM CN(C[C@H]1CCS(=O)(=O)C1)c1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000563206219 483915959 /nfs/dbraw/zinc/91/59/59/483915959.db2.gz GAQUGWCZGXMUTI-SECBINFHSA-N -1 0 362.429 -0.097 20 0 FBADRM CN(C[C@@H]1CCS(=O)(=O)C1)c1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000563206220 483916197 /nfs/dbraw/zinc/91/61/97/483916197.db2.gz GAQUGWCZGXMUTI-VIFPVBQESA-N -1 0 362.429 -0.097 20 0 FBADRM Cc1c(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000563212018 483918428 /nfs/dbraw/zinc/91/84/28/483918428.db2.gz VAMXZHFCJOUVJI-KRWDZBQOSA-N -1 0 360.370 -0.123 20 0 FBADRM Cc1c(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000563212019 483918371 /nfs/dbraw/zinc/91/83/71/483918371.db2.gz VAMXZHFCJOUVJI-QGZVFWFLSA-N -1 0 360.370 -0.123 20 0 FBADRM Cn1nnnc1N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000563214229 483920130 /nfs/dbraw/zinc/92/01/30/483920130.db2.gz NMSVUKNTPNNAPF-UHFFFAOYSA-N -1 0 352.376 -0.581 20 0 FBADRM O=C([O-])c1cn(CCNc2ccc(S(=O)(=O)N3CCCC3)cn2)nn1 ZINC000563215192 484367968 /nfs/dbraw/zinc/36/79/68/484367968.db2.gz YYCIOPUNZONEOR-UHFFFAOYSA-N -1 0 366.403 0.268 20 0 FBADRM C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000563217435 483921715 /nfs/dbraw/zinc/92/17/15/483921715.db2.gz QSJNXTZGHDBGII-HNNXBMFYSA-N -1 0 374.441 -0.048 20 0 FBADRM C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000563217436 483922591 /nfs/dbraw/zinc/92/25/91/483922591.db2.gz QSJNXTZGHDBGII-OAHLLOKOSA-N -1 0 374.441 -0.048 20 0 FBADRM CN1C(=O)c2ccc(NC(=O)CN3CCN(C(=O)C(=O)[O-])CC3)cc2C1=O ZINC000563218468 483923726 /nfs/dbraw/zinc/92/37/26/483923726.db2.gz YUPDRLPAGKLVSB-UHFFFAOYSA-N -1 0 374.353 -0.920 20 0 FBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000563224104 483926816 /nfs/dbraw/zinc/92/68/16/483926816.db2.gz IECPQEQZEFMQLR-DMDPSCGWSA-N -1 0 360.432 -0.109 20 0 FBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000563224105 483926277 /nfs/dbraw/zinc/92/62/77/483926277.db2.gz IECPQEQZEFMQLR-GMXVVIOVSA-N -1 0 360.432 -0.109 20 0 FBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000563224106 483926464 /nfs/dbraw/zinc/92/64/64/483926464.db2.gz IECPQEQZEFMQLR-GVXVVHGQSA-N -1 0 360.432 -0.109 20 0 FBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000563224107 483925657 /nfs/dbraw/zinc/92/56/57/483925657.db2.gz IECPQEQZEFMQLR-LOWVWBTDSA-N -1 0 360.432 -0.109 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CC1 ZINC000563226395 483931654 /nfs/dbraw/zinc/93/16/54/483931654.db2.gz KDCXNDKBPHDUBV-LBPRGKRZSA-N -1 0 368.477 -0.073 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC000563227373 483930234 /nfs/dbraw/zinc/93/02/34/483930234.db2.gz TWVQNYQSANMXFJ-NSHDSACASA-N -1 0 354.450 -0.463 20 0 FBADRM Cc1cc(S(=O)(=O)N2CCS(=O)(=O)CC2)ccc1OCC(=O)[O-] ZINC000563230932 483934845 /nfs/dbraw/zinc/93/48/45/483934845.db2.gz SPVCGIRDYXWVGY-UHFFFAOYSA-N -1 0 363.413 -0.122 20 0 FBADRM C[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000563262696 483948241 /nfs/dbraw/zinc/94/82/41/483948241.db2.gz PKFJVWLKZALDSB-IMTBSYHQSA-N -1 0 374.400 -0.853 20 0 FBADRM Cc1oc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1C(=O)[O-] ZINC000563279153 483958965 /nfs/dbraw/zinc/95/89/65/483958965.db2.gz YKTKMYCWEBWRPZ-UHFFFAOYSA-N -1 0 373.431 -0.019 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2cc(=O)n3ccccc3n2)C1 ZINC000563287998 483966020 /nfs/dbraw/zinc/96/60/20/483966020.db2.gz IIVVVZJAUWMXLL-KRWDZBQOSA-N -1 0 358.354 -0.366 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2cc(=O)n3ccccc3n2)C1 ZINC000563287999 483966306 /nfs/dbraw/zinc/96/63/06/483966306.db2.gz IIVVVZJAUWMXLL-QGZVFWFLSA-N -1 0 358.354 -0.366 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000563310196 483713518 /nfs/dbraw/zinc/71/35/18/483713518.db2.gz CTLDQBCEGRWILJ-JTQLQIEISA-N -1 0 361.445 -0.178 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000563310197 483713589 /nfs/dbraw/zinc/71/35/89/483713589.db2.gz CTLDQBCEGRWILJ-SNVBAGLBSA-N -1 0 361.445 -0.178 20 0 FBADRM CN1C[C@H](NC(=O)N[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)CC1=O ZINC000563380063 484074201 /nfs/dbraw/zinc/07/42/01/484074201.db2.gz XQXVWBOCABANBU-IPYPFGDCSA-N -1 0 374.397 -0.057 20 0 FBADRM CN1C[C@H](NC(=O)N[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)CC1=O ZINC000563380064 484073713 /nfs/dbraw/zinc/07/37/13/484073713.db2.gz XQXVWBOCABANBU-NFAWXSAZSA-N -1 0 374.397 -0.057 20 0 FBADRM CN1C[C@H](NC(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)CC1=O ZINC000563380065 484074076 /nfs/dbraw/zinc/07/40/76/484074076.db2.gz XQXVWBOCABANBU-UMVBOHGHSA-N -1 0 374.397 -0.057 20 0 FBADRM CN1C[C@H](NC(=O)N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)CC1=O ZINC000563380066 484074364 /nfs/dbraw/zinc/07/43/64/484074364.db2.gz XQXVWBOCABANBU-VNHYZAJKSA-N -1 0 374.397 -0.057 20 0 FBADRM C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)Cc2cncc(O)c2)CC1 ZINC000563411389 484092139 /nfs/dbraw/zinc/09/21/39/484092139.db2.gz FQZDVJQSYJTKHT-AWEZNQCLSA-N -1 0 362.430 -0.279 20 0 FBADRM C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)Cc2cncc(O)c2)CC1 ZINC000563411390 484091363 /nfs/dbraw/zinc/09/13/63/484091363.db2.gz FQZDVJQSYJTKHT-CQSZACIVSA-N -1 0 362.430 -0.279 20 0 FBADRM COC[C@H](CNC(=O)Cc1cncc(O)c1)NC(=O)Cc1cncc(O)c1 ZINC000563411858 484092251 /nfs/dbraw/zinc/09/22/51/484092251.db2.gz GBANOWMHLZIAET-AWEZNQCLSA-N -1 0 374.397 -0.080 20 0 FBADRM COC[C@@H](CNC(=O)Cc1cncc(O)c1)NC(=O)Cc1cncc(O)c1 ZINC000563411859 484091765 /nfs/dbraw/zinc/09/17/65/484091765.db2.gz GBANOWMHLZIAET-CQSZACIVSA-N -1 0 374.397 -0.080 20 0 FBADRM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)CCC(=O)NCCNC(C)=O)C(=O)[O-])C1 ZINC000563422015 484092024 /nfs/dbraw/zinc/09/20/24/484092024.db2.gz ANLYQAMTUFWSSL-IOASZLSFSA-N -1 0 371.434 -0.207 20 0 FBADRM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)CCC(=O)NCCNC(C)=O)C(=O)[O-])C1 ZINC000563422016 484091548 /nfs/dbraw/zinc/09/15/48/484091548.db2.gz ANLYQAMTUFWSSL-WOSRLPQWSA-N -1 0 371.434 -0.207 20 0 FBADRM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)CCC(=O)NCCNC(C)=O)C(=O)[O-])C1 ZINC000563422017 484091280 /nfs/dbraw/zinc/09/12/80/484091280.db2.gz ANLYQAMTUFWSSL-XJKCOSOUSA-N -1 0 371.434 -0.207 20 0 FBADRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)CCC(=O)NCCNC(C)=O)C(=O)[O-])C1 ZINC000563422018 484091343 /nfs/dbraw/zinc/09/13/43/484091343.db2.gz ANLYQAMTUFWSSL-ZENOOKHLSA-N -1 0 371.434 -0.207 20 0 FBADRM C[C@@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cn[nH]c2)cc1 ZINC000563428848 484093667 /nfs/dbraw/zinc/09/36/67/484093667.db2.gz JXYLQZZKRRDPEX-SECBINFHSA-N -1 0 360.417 -0.130 20 0 FBADRM C[C@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1 ZINC000563429313 484093885 /nfs/dbraw/zinc/09/38/85/484093885.db2.gz VRMLGIGMJUNLLV-QMMMGPOBSA-N -1 0 361.405 -0.735 20 0 FBADRM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])ccc2O1 ZINC000563430229 484092816 /nfs/dbraw/zinc/09/28/16/484092816.db2.gz DKRJHFQWOKUTEA-PWSUYJOCSA-N -1 0 359.356 -0.723 20 0 FBADRM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])ccc2O1 ZINC000563430235 484092928 /nfs/dbraw/zinc/09/29/28/484092928.db2.gz DKRJHFQWOKUTEA-ZYHUDNBSSA-N -1 0 359.356 -0.723 20 0 FBADRM O=S(=O)([N-]c1c[nH]cn1)c1cccc(S(=O)(=O)N2CC(CO)C2)c1 ZINC000563431084 484095605 /nfs/dbraw/zinc/09/56/05/484095605.db2.gz KUUKKWVWFNWQRH-UHFFFAOYSA-N -1 0 372.428 -0.177 20 0 FBADRM COC1CN(S(=O)(=O)c2cccc(S(=O)(=O)[N-]c3nnc[nH]3)c2)C1 ZINC000563431134 484095560 /nfs/dbraw/zinc/09/55/60/484095560.db2.gz PIDKWBKOQSBCPL-UHFFFAOYSA-N -1 0 373.416 -0.375 20 0 FBADRM O=C([O-])[C@H](O)CNS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 ZINC000563431206 484094913 /nfs/dbraw/zinc/09/49/13/484094913.db2.gz KGECDARMQGVTOP-LLVKDONJSA-N -1 0 362.791 -0.471 20 0 FBADRM O=S(=O)([N-]c1c[nH]cn1)c1cccc(S(=O)(=O)N2CC[C@@H](O)C2)c1 ZINC000563431345 484095246 /nfs/dbraw/zinc/09/52/46/484095246.db2.gz OAMCXSCTMAVKMW-SNVBAGLBSA-N -1 0 372.428 -0.034 20 0 FBADRM CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)NCCNS(C)(=O)=O)cc1 ZINC000563432711 484095042 /nfs/dbraw/zinc/09/50/42/484095042.db2.gz NUYMSSHXXXIUAC-UHFFFAOYSA-N -1 0 364.445 -0.124 20 0 FBADRM O=C([O-])[C@H](O)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC000563433437 484095589 /nfs/dbraw/zinc/09/55/89/484095589.db2.gz XLDWRHSSXAEWOZ-GFCCVEGCSA-N -1 0 370.383 -0.572 20 0 FBADRM COC(=O)C(C)(C)c1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1 ZINC000563433798 484094906 /nfs/dbraw/zinc/09/49/06/484094906.db2.gz ZTEUMLJIFYURTF-LLVKDONJSA-N -1 0 372.399 -0.256 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000563532567 484140239 /nfs/dbraw/zinc/14/02/39/484140239.db2.gz SYIYWRSKVRNPST-GFCCVEGCSA-N -1 0 372.465 -0.979 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000563532568 484140496 /nfs/dbraw/zinc/14/04/96/484140496.db2.gz SYIYWRSKVRNPST-LBPRGKRZSA-N -1 0 372.465 -0.979 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000563539696 484144148 /nfs/dbraw/zinc/14/41/48/484144148.db2.gz UXOUIUJYXJBVTP-GSDQLPOLSA-N -1 0 352.459 -0.159 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000563539697 484145543 /nfs/dbraw/zinc/14/55/43/484145543.db2.gz UXOUIUJYXJBVTP-GWNMQOMSSA-N -1 0 352.459 -0.159 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000563539698 484146035 /nfs/dbraw/zinc/14/60/35/484146035.db2.gz UXOUIUJYXJBVTP-LXGOIASLSA-N -1 0 352.459 -0.159 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000563539699 484145437 /nfs/dbraw/zinc/14/54/37/484145437.db2.gz UXOUIUJYXJBVTP-YBYGRFCBSA-N -1 0 352.459 -0.159 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC(=O)N(C)C(=O)C2)c1 ZINC000563546960 484141733 /nfs/dbraw/zinc/14/17/33/484141733.db2.gz FOPAUKQEDRQHMX-UHFFFAOYSA-N -1 0 355.372 -0.917 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)C2COC2)C1=O ZINC000563569887 484145583 /nfs/dbraw/zinc/14/55/83/484145583.db2.gz DHDXMOZWWLVKJQ-CHWSQXEVSA-N -1 0 354.384 -0.269 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)C2COC2)C1=O ZINC000563569888 484146121 /nfs/dbraw/zinc/14/61/21/484146121.db2.gz DHDXMOZWWLVKJQ-OLZOCXBDSA-N -1 0 354.384 -0.269 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)C2COC2)C1=O ZINC000563569889 484145504 /nfs/dbraw/zinc/14/55/04/484145504.db2.gz DHDXMOZWWLVKJQ-QWHCGFSZSA-N -1 0 354.384 -0.269 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)C2COC2)C1=O ZINC000563569890 484145965 /nfs/dbraw/zinc/14/59/65/484145965.db2.gz DHDXMOZWWLVKJQ-STQMWFEESA-N -1 0 354.384 -0.269 20 0 FBADRM Nc1ncc(Cl)cc1S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000563583264 484146945 /nfs/dbraw/zinc/14/69/45/484146945.db2.gz PMXJBBFFNWFVLP-GLEHDBDLSA-N -1 0 353.809 -0.477 20 0 FBADRM Nc1ncc(Cl)cc1S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000563583270 484147092 /nfs/dbraw/zinc/14/70/92/484147092.db2.gz PMXJBBFFNWFVLP-JKNYTWMOSA-N -1 0 353.809 -0.477 20 0 FBADRM Nc1ncc(Cl)cc1S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000563583272 484147297 /nfs/dbraw/zinc/14/72/97/484147297.db2.gz PMXJBBFFNWFVLP-JLPJYYFKSA-N -1 0 353.809 -0.477 20 0 FBADRM Nc1ncc(Cl)cc1S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000563583273 484147614 /nfs/dbraw/zinc/14/76/14/484147614.db2.gz PMXJBBFFNWFVLP-SVWIBVJCSA-N -1 0 353.809 -0.477 20 0 FBADRM COCCN(C)S(=O)(=O)NC(C)(C)CC(=O)NC(C)(C)CC(=O)[O-] ZINC000563593036 484146914 /nfs/dbraw/zinc/14/69/14/484146914.db2.gz ADMZSRLQSSAWHI-UHFFFAOYSA-N -1 0 367.468 -0.063 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)C(=O)[O-] ZINC000563614750 484152943 /nfs/dbraw/zinc/15/29/43/484152943.db2.gz VYNLNBLQKQJALN-SECBINFHSA-N -1 0 370.380 -0.425 20 0 FBADRM COC[C@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)C(=O)[O-] ZINC000563614751 484152912 /nfs/dbraw/zinc/15/29/12/484152912.db2.gz VYNLNBLQKQJALN-VIFPVBQESA-N -1 0 370.380 -0.425 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000563621303 484155571 /nfs/dbraw/zinc/15/55/71/484155571.db2.gz XMPIBHBXZRMIKV-SSDOTTSWSA-N -1 0 352.381 -0.704 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000563621304 484155558 /nfs/dbraw/zinc/15/55/58/484155558.db2.gz XMPIBHBXZRMIKV-ZETCQYMHSA-N -1 0 352.381 -0.704 20 0 FBADRM CC[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000563621905 484164006 /nfs/dbraw/zinc/16/40/06/484164006.db2.gz ASROSZFGGZCVLI-GFCCVEGCSA-N -1 0 371.415 -0.118 20 0 FBADRM CC[C@H](NC(=O)C(=O)NCCCC(=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000563621961 484162475 /nfs/dbraw/zinc/16/24/75/484162475.db2.gz ASROSZFGGZCVLI-LBPRGKRZSA-N -1 0 371.415 -0.118 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H](C(=O)[O-])C(C)C)CC2)cn1C ZINC000563625144 484168505 /nfs/dbraw/zinc/16/85/05/484168505.db2.gz RBYPHUQWDNRBPY-CYBMUJFWSA-N -1 0 372.447 -0.082 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H](C(=O)[O-])C(C)C)CC2)cn1C ZINC000563625150 484168333 /nfs/dbraw/zinc/16/83/33/484168333.db2.gz RBYPHUQWDNRBPY-ZDUSSCGKSA-N -1 0 372.447 -0.082 20 0 FBADRM C[C@@H](O)CN(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@H](C)CO ZINC000563655384 484185989 /nfs/dbraw/zinc/18/59/89/484185989.db2.gz HNPOHFWUVNNUSE-NXEZZACHSA-N -1 0 366.386 -0.167 20 0 FBADRM C[C@H](O)CN(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@@H](C)CO ZINC000563655392 484186604 /nfs/dbraw/zinc/18/66/04/484186604.db2.gz HNPOHFWUVNNUSE-UWVGGRQHSA-N -1 0 366.386 -0.167 20 0 FBADRM C[C@@H](O)CN(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@@H](C)CO ZINC000563655394 484186319 /nfs/dbraw/zinc/18/63/19/484186319.db2.gz HNPOHFWUVNNUSE-VHSXEESVSA-N -1 0 366.386 -0.167 20 0 FBADRM C[C@H](CO)N(C[C@H](C)O)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000563655395 484186429 /nfs/dbraw/zinc/18/64/29/484186429.db2.gz HNPOHFWUVNNUSE-ZJUUUORDSA-N -1 0 366.386 -0.167 20 0 FBADRM Cc1ccc(S(=O)(=O)NCC(=O)NC2(c3nnn[n-]3)CC2)cc1C ZINC000563656316 484185021 /nfs/dbraw/zinc/18/50/21/484185021.db2.gz LHRPBZMZJJVEGP-UHFFFAOYSA-N -1 0 350.404 -0.100 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCCc2nc(=O)o[n-]2)ccc1OC ZINC000563657337 484184137 /nfs/dbraw/zinc/18/41/37/484184137.db2.gz QSEAIPNKKCUVSS-UHFFFAOYSA-N -1 0 357.344 -0.321 20 0 FBADRM Cc1cc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)n2ncnc2n1 ZINC000563661755 484185641 /nfs/dbraw/zinc/18/56/41/484185641.db2.gz KXFLVLIVSSIAMY-UHFFFAOYSA-N -1 0 368.400 -0.119 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC000563662286 484186042 /nfs/dbraw/zinc/18/60/42/484186042.db2.gz WRHKFKAHRSALOK-MRVPVSSYSA-N -1 0 352.331 -0.179 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000563662287 484186182 /nfs/dbraw/zinc/18/61/82/484186182.db2.gz WRHKFKAHRSALOK-QMMMGPOBSA-N -1 0 352.331 -0.179 20 0 FBADRM O=C([O-])c1ccc(C(=O)NCCNS(=O)(=O)Cc2ccon2)cn1 ZINC000563683697 483880807 /nfs/dbraw/zinc/88/08/07/483880807.db2.gz YWJJCRTWJKTFOQ-UHFFFAOYSA-N -1 0 354.344 -0.383 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)C[C@@H](C)S1(=O)=O ZINC000563712323 484023920 /nfs/dbraw/zinc/02/39/20/484023920.db2.gz CDPHHGTYEJYMJD-LOWDOPEQSA-N -1 0 374.459 -0.020 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)C[C@H](C)S1(=O)=O ZINC000563712344 484024502 /nfs/dbraw/zinc/02/45/02/484024502.db2.gz CDPHHGTYEJYMJD-RVMXOQNASA-N -1 0 374.459 -0.020 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)C[C@@H](C)S1(=O)=O ZINC000563712347 484025260 /nfs/dbraw/zinc/02/52/60/484025260.db2.gz CDPHHGTYEJYMJD-UMSGYPCISA-N -1 0 374.459 -0.020 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)C[C@H](C)S1(=O)=O ZINC000563712353 484024255 /nfs/dbraw/zinc/02/42/55/484024255.db2.gz CDPHHGTYEJYMJD-WUHRBBMRSA-N -1 0 374.459 -0.020 20 0 FBADRM C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000563718141 484028481 /nfs/dbraw/zinc/02/84/81/484028481.db2.gz WDZJFGAOYPMYIZ-HZSPNIEDSA-N -1 0 355.435 -0.265 20 0 FBADRM C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000563718145 484027784 /nfs/dbraw/zinc/02/77/84/484027784.db2.gz WDZJFGAOYPMYIZ-MCIONIFRSA-N -1 0 355.435 -0.265 20 0 FBADRM C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000563718147 484028858 /nfs/dbraw/zinc/02/88/58/484028858.db2.gz WDZJFGAOYPMYIZ-MGPQQGTHSA-N -1 0 355.435 -0.265 20 0 FBADRM C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000563718148 484027888 /nfs/dbraw/zinc/02/78/88/484027888.db2.gz WDZJFGAOYPMYIZ-RDBSUJKOSA-N -1 0 355.435 -0.265 20 0 FBADRM CN1C(=O)CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CC1=O ZINC000563735931 484035609 /nfs/dbraw/zinc/03/56/09/484035609.db2.gz XDPSZTKTQZOHNS-UHFFFAOYSA-N -1 0 361.326 -0.930 20 0 FBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)O1 ZINC000563758022 484041203 /nfs/dbraw/zinc/04/12/03/484041203.db2.gz XGYRQKUIYGDDSM-QWHCGFSZSA-N -1 0 369.399 -0.453 20 0 FBADRM CCOC(=O)CCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000563779299 484046080 /nfs/dbraw/zinc/04/60/80/484046080.db2.gz DIWUAWHOKQPTCA-GXTWGEPZSA-N -1 0 359.400 -0.084 20 0 FBADRM CCOC(=O)CCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000563779300 484046704 /nfs/dbraw/zinc/04/67/04/484046704.db2.gz DIWUAWHOKQPTCA-JSGCOSHPSA-N -1 0 359.400 -0.084 20 0 FBADRM CCOC(=O)CCS(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000563779301 484045693 /nfs/dbraw/zinc/04/56/93/484045693.db2.gz DIWUAWHOKQPTCA-OCCSQVGLSA-N -1 0 359.400 -0.084 20 0 FBADRM CCOC(=O)CCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000563779302 484046351 /nfs/dbraw/zinc/04/63/51/484046351.db2.gz DIWUAWHOKQPTCA-TZMCWYRMSA-N -1 0 359.400 -0.084 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N(C2CC2)C2CCCC2)CCS1(=O)=O ZINC000563804996 484050782 /nfs/dbraw/zinc/05/07/82/484050782.db2.gz JFZRUMWFXJPVOB-GFCCVEGCSA-N -1 0 358.416 -0.370 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N(C2CC2)C2CCCC2)CCS1(=O)=O ZINC000563804997 484050895 /nfs/dbraw/zinc/05/08/95/484050895.db2.gz JFZRUMWFXJPVOB-LBPRGKRZSA-N -1 0 358.416 -0.370 20 0 FBADRM CC(C)(CNC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C(F)(F)F ZINC000563805138 484050969 /nfs/dbraw/zinc/05/09/69/484050969.db2.gz ZDJIFCVULMNTJR-SSDOTTSWSA-N -1 0 374.337 -0.599 20 0 FBADRM CC(C)(CNC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C(F)(F)F ZINC000563805139 484050138 /nfs/dbraw/zinc/05/01/38/484050138.db2.gz ZDJIFCVULMNTJR-ZETCQYMHSA-N -1 0 374.337 -0.599 20 0 FBADRM CC[C@@H](NC(=O)C(=O)Nc1ccc(OC)c(OCC(N)=O)c1)C(=O)[O-] ZINC000563810581 484050955 /nfs/dbraw/zinc/05/09/55/484050955.db2.gz OYABVTKCHCFGBL-SECBINFHSA-N -1 0 353.331 -0.523 20 0 FBADRM CC1(C)CN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)[C@@H](C(=O)[O-])CO1 ZINC000563813977 484052733 /nfs/dbraw/zinc/05/27/33/484052733.db2.gz FBVWGTNJFOVQJT-GHMZBOCLSA-N -1 0 369.461 -0.295 20 0 FBADRM CC1(C)CN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)[C@H](C(=O)[O-])CO1 ZINC000563813978 484052691 /nfs/dbraw/zinc/05/26/91/484052691.db2.gz FBVWGTNJFOVQJT-MNOVXSKESA-N -1 0 369.461 -0.295 20 0 FBADRM CC1(C)CN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)[C@H](C(=O)[O-])CO1 ZINC000563813979 484052795 /nfs/dbraw/zinc/05/27/95/484052795.db2.gz FBVWGTNJFOVQJT-QWRGUYRKSA-N -1 0 369.461 -0.295 20 0 FBADRM CC1(C)CN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)[C@@H](C(=O)[O-])CO1 ZINC000563813980 484052865 /nfs/dbraw/zinc/05/28/65/484052865.db2.gz FBVWGTNJFOVQJT-WDEREUQCSA-N -1 0 369.461 -0.295 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])OC)c1 ZINC000563827339 484054900 /nfs/dbraw/zinc/05/49/00/484054900.db2.gz LEGMMWKXAIJVMM-GFCCVEGCSA-N -1 0 374.415 -0.169 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)NC[C@H](CC(=O)[O-])OC)c1 ZINC000563827342 484053343 /nfs/dbraw/zinc/05/33/43/484053343.db2.gz LEGMMWKXAIJVMM-LBPRGKRZSA-N -1 0 374.415 -0.169 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000563874888 484074540 /nfs/dbraw/zinc/07/45/40/484074540.db2.gz RGWIPPSXCNMITD-LLVKDONJSA-N -1 0 356.466 -0.216 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000563874889 484075606 /nfs/dbraw/zinc/07/56/06/484075606.db2.gz RGWIPPSXCNMITD-NSHDSACASA-N -1 0 356.466 -0.216 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000563886616 484083192 /nfs/dbraw/zinc/08/31/92/484083192.db2.gz RIVOFICLXXJINZ-UHFFFAOYSA-N -1 0 357.388 -0.231 20 0 FBADRM CC(C)(C(=O)[O-])C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000563887970 484083436 /nfs/dbraw/zinc/08/34/36/484083436.db2.gz DYEPCKCEVXBJGW-UHFFFAOYSA-N -1 0 369.399 -0.144 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000563888978 484087584 /nfs/dbraw/zinc/08/75/84/484087584.db2.gz SRLOZJTZYIBWJR-UHFFFAOYSA-N -1 0 353.350 -0.418 20 0 FBADRM COC(=O)c1ccc(C)c(NC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000563889655 484088519 /nfs/dbraw/zinc/08/85/19/484088519.db2.gz KZJPKOVQXYVOFI-UHFFFAOYSA-N -1 0 363.370 -0.051 20 0 FBADRM COC(=O)[C@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@@H]1CCC[C@@H](OC)C1 ZINC000563894944 484165715 /nfs/dbraw/zinc/16/57/15/484165715.db2.gz QMACHMJFCWWCKI-CKYFFXLPSA-N -1 0 353.375 -0.038 20 0 FBADRM COC(=O)[C@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@H]1CCC[C@@H](OC)C1 ZINC000563894947 484166351 /nfs/dbraw/zinc/16/63/51/484166351.db2.gz QMACHMJFCWWCKI-HOSYDEDBSA-N -1 0 353.375 -0.038 20 0 FBADRM COC(=O)[C@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@H]1CCC[C@H](OC)C1 ZINC000563894948 484166066 /nfs/dbraw/zinc/16/60/66/484166066.db2.gz QMACHMJFCWWCKI-JBLDHEPKSA-N -1 0 353.375 -0.038 20 0 FBADRM COC(=O)[C@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@@H]1CCC[C@H](OC)C1 ZINC000563894949 484166611 /nfs/dbraw/zinc/16/66/11/484166611.db2.gz QMACHMJFCWWCKI-JFGNBEQYSA-N -1 0 353.375 -0.038 20 0 FBADRM CC(C)(CO)C(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000563896051 484173182 /nfs/dbraw/zinc/17/31/82/484173182.db2.gz CMNDEEXAEIPHJH-UHFFFAOYSA-N -1 0 361.386 -0.018 20 0 FBADRM Cc1ccc(S(=O)(=O)NCC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1 ZINC000563920743 484527478 /nfs/dbraw/zinc/52/74/78/484527478.db2.gz QNGXTNWBYDABEI-UHFFFAOYSA-N -1 0 373.416 -0.566 20 0 FBADRM CS(=O)(=O)c1ccc(OCCNC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000563925509 484528594 /nfs/dbraw/zinc/52/85/94/484528594.db2.gz MJWHLKPOEMFSSG-CYBMUJFWSA-N -1 0 372.399 -0.036 20 0 FBADRM CS(=O)(=O)c1ccc(OCCNC(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000563925510 484528215 /nfs/dbraw/zinc/52/82/15/484528215.db2.gz MJWHLKPOEMFSSG-ZDUSSCGKSA-N -1 0 372.399 -0.036 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000563954868 484535653 /nfs/dbraw/zinc/53/56/53/484535653.db2.gz MJBLRDWHPBYZGK-UHFFFAOYSA-N -1 0 372.465 -0.789 20 0 FBADRM C[C@@H]1CCCc2nc(S(=O)(=O)NCc3cn(CC(=O)[O-])nn3)cn21 ZINC000563955533 484535570 /nfs/dbraw/zinc/53/55/70/484535570.db2.gz KJCHFJBPDWEYHU-SECBINFHSA-N -1 0 354.392 -0.065 20 0 FBADRM C[C@H]1CCCc2nc(S(=O)(=O)NCc3cn(CC(=O)[O-])nn3)cn21 ZINC000563955534 484535842 /nfs/dbraw/zinc/53/58/42/484535842.db2.gz KJCHFJBPDWEYHU-VIFPVBQESA-N -1 0 354.392 -0.065 20 0 FBADRM COc1ccc(S(=O)(=O)NCC(=O)N(C)CCC(=O)[O-])cc1OC ZINC000563958011 484535677 /nfs/dbraw/zinc/53/56/77/484535677.db2.gz JWDINHIZJDXERV-UHFFFAOYSA-N -1 0 360.388 -0.085 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1)C(=O)[O-] ZINC000563959888 484536239 /nfs/dbraw/zinc/53/62/39/484536239.db2.gz KDVNSVBZWKPRNB-LLVKDONJSA-N -1 0 358.372 -0.317 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2ncn(-c3ccccc3)n2)c(=O)n(C)c1=O ZINC000564010473 483992927 /nfs/dbraw/zinc/99/29/27/483992927.db2.gz MKNCBJOBOMUKAE-UHFFFAOYSA-N -1 0 362.371 -0.535 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccn(CC(=O)N2CCOCC2)n1 ZINC000564060469 484673694 /nfs/dbraw/zinc/67/36/94/484673694.db2.gz UORLGWSNVHAHBV-UHFFFAOYSA-N -1 0 368.419 -0.415 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)CCCC(=O)[O-] ZINC000564085030 484676932 /nfs/dbraw/zinc/67/69/32/484676932.db2.gz PCRXLNUJSFCCKU-JTQLQIEISA-N -1 0 371.415 -0.225 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)CCCC(=O)[O-] ZINC000564085032 484675954 /nfs/dbraw/zinc/67/59/54/484675954.db2.gz PCRXLNUJSFCCKU-SNVBAGLBSA-N -1 0 371.415 -0.225 20 0 FBADRM CC[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1C)C(=O)[O-] ZINC000564086485 484676476 /nfs/dbraw/zinc/67/64/76/484676476.db2.gz ZYBPHYYBBPXVGA-SECBINFHSA-N -1 0 357.388 -0.179 20 0 FBADRM COCCOCCN(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000564102543 484678171 /nfs/dbraw/zinc/67/81/71/484678171.db2.gz NBEGCICIFUHRHB-UHFFFAOYSA-N -1 0 358.376 -0.281 20 0 FBADRM COC(=O)c1cnc([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)cn1 ZINC000564130130 484294598 /nfs/dbraw/zinc/29/45/98/484294598.db2.gz AZNVNBUMYRYLLU-UHFFFAOYSA-N -1 0 357.373 0.479 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccncc1C(=O)OC ZINC000564136409 484929205 /nfs/dbraw/zinc/92/92/05/484929205.db2.gz FGSZUNLEIYGYEP-UHFFFAOYSA-N -1 0 354.344 -0.009 20 0 FBADRM CC[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)C(=O)[O-] ZINC000564210881 484553761 /nfs/dbraw/zinc/55/37/61/484553761.db2.gz KWMKQGVPODRFDQ-GFCCVEGCSA-N -1 0 365.390 -0.140 20 0 FBADRM Cn1cc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)c(=O)n(C)c1=O ZINC000564324359 484766383 /nfs/dbraw/zinc/76/63/83/484766383.db2.gz CCUPPVUWNNZBQN-UHFFFAOYSA-N -1 0 352.372 -0.292 20 0 FBADRM COc1ccc(C(=O)NCCNC(=O)C(=O)NCCCC(=O)[O-])cc1 ZINC000564331257 484779585 /nfs/dbraw/zinc/77/95/85/484779585.db2.gz VASJGHFMDYSNAH-UHFFFAOYSA-N -1 0 351.359 -0.478 20 0 FBADRM Cn1cnn(CCC(=O)NCCN2c3ccccc3[N-]S2(=O)=O)c1=O ZINC000564344981 484799576 /nfs/dbraw/zinc/79/95/76/484799576.db2.gz AVODLPUPRGJQOT-UHFFFAOYSA-N -1 0 366.403 -0.735 20 0 FBADRM COc1cccc(-c2nc(=NC(=O)C(=O)NCCOCCO)s[n-]2)c1 ZINC000564380842 484950160 /nfs/dbraw/zinc/95/01/60/484950160.db2.gz PDUMYFYZWYSISL-UHFFFAOYSA-N -1 0 366.399 -0.301 20 0 FBADRM CCOC[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)C(=O)[O-] ZINC000564384842 484965176 /nfs/dbraw/zinc/96/51/76/484965176.db2.gz AGRLWISJYQJQOY-JTQLQIEISA-N -1 0 357.344 -0.191 20 0 FBADRM O=C([O-])c1coc(S(=O)(=O)NCCS(=O)(=O)NCC2CCC2)c1 ZINC000564448549 483716341 /nfs/dbraw/zinc/71/63/41/483716341.db2.gz QEEBPYMGOORMKR-UHFFFAOYSA-N -1 0 366.417 -0.024 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](CCOC)C(=O)[O-] ZINC000564451109 657411286 /nfs/dbraw/zinc/41/12/86/657411286.db2.gz YFVOQTMSHFYTQG-SECBINFHSA-N -1 0 366.417 -0.637 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](CCOC)C(=O)[O-] ZINC000564451111 657411067 /nfs/dbraw/zinc/41/10/67/657411067.db2.gz YFVOQTMSHFYTQG-VIFPVBQESA-N -1 0 366.417 -0.637 20 0 FBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000564459107 483754622 /nfs/dbraw/zinc/75/46/22/483754622.db2.gz YUHNCVGXKXJZTM-GHMZBOCLSA-N -1 0 357.450 -0.438 20 0 FBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000564459108 483754660 /nfs/dbraw/zinc/75/46/60/483754660.db2.gz YUHNCVGXKXJZTM-MNOVXSKESA-N -1 0 357.450 -0.438 20 0 FBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000564459109 483754532 /nfs/dbraw/zinc/75/45/32/483754532.db2.gz YUHNCVGXKXJZTM-QWRGUYRKSA-N -1 0 357.450 -0.438 20 0 FBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000564459112 483754727 /nfs/dbraw/zinc/75/47/27/483754727.db2.gz YUHNCVGXKXJZTM-WDEREUQCSA-N -1 0 357.450 -0.438 20 0 FBADRM NC(=O)[C@@]1(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CCOC1 ZINC000564469149 483772808 /nfs/dbraw/zinc/77/28/08/483772808.db2.gz AEEJOLGWCDKXHC-CYBMUJFWSA-N -1 0 363.342 -0.996 20 0 FBADRM NC(=O)[C@]1(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CCOC1 ZINC000564469154 483772677 /nfs/dbraw/zinc/77/26/77/483772677.db2.gz AEEJOLGWCDKXHC-ZDUSSCGKSA-N -1 0 363.342 -0.996 20 0 FBADRM CCOC(=O)c1cc(COC)cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c1 ZINC000564470206 483800125 /nfs/dbraw/zinc/80/01/25/483800125.db2.gz LAPQLJFPMSQVTK-GFCCVEGCSA-N -1 0 361.372 -0.267 20 0 FBADRM COCC[C@H](COC)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000564499690 483883556 /nfs/dbraw/zinc/88/35/56/483883556.db2.gz WOAJOXWGZHHNKO-MRVPVSSYSA-N -1 0 358.376 -0.234 20 0 FBADRM COCC[C@@H](COC)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000564499703 483883552 /nfs/dbraw/zinc/88/35/52/483883552.db2.gz WOAJOXWGZHHNKO-QMMMGPOBSA-N -1 0 358.376 -0.234 20 0 FBADRM CN(C)S(=O)(=O)N1CCCN(C(=O)c2cccc3n[nH]nc32)CC1 ZINC000564515490 483913573 /nfs/dbraw/zinc/91/35/73/483913573.db2.gz OOYIQQOGBMTBAZ-UHFFFAOYSA-N -1 0 352.420 -0.088 20 0 FBADRM COCC[C@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(N)=O ZINC000564515755 483916292 /nfs/dbraw/zinc/91/62/92/483916292.db2.gz CRPPDOUAZCFBNI-JTQLQIEISA-N -1 0 365.358 -0.750 20 0 FBADRM COCC[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(N)=O ZINC000564515790 483915977 /nfs/dbraw/zinc/91/59/77/483915977.db2.gz CRPPDOUAZCFBNI-SNVBAGLBSA-N -1 0 365.358 -0.750 20 0 FBADRM COCCN(C)S(=O)(=O)N[C@H](Cc1c[nH]c2cccnc12)C(=O)[O-] ZINC000564523021 485152211 /nfs/dbraw/zinc/15/22/11/485152211.db2.gz SHWSFJRWEIPDMG-GFCCVEGCSA-N -1 0 356.404 -0.029 20 0 FBADRM COCCN(C)S(=O)(=O)N[C@@H](Cc1c[nH]c2cccnc12)C(=O)[O-] ZINC000564523037 485152338 /nfs/dbraw/zinc/15/23/38/485152338.db2.gz SHWSFJRWEIPDMG-LBPRGKRZSA-N -1 0 356.404 -0.029 20 0 FBADRM C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C[C@H](CO)O1 ZINC000564526099 485151792 /nfs/dbraw/zinc/15/17/92/485151792.db2.gz ZUTVSGBIHNZTJP-NXEZZACHSA-N -1 0 364.370 -0.149 20 0 FBADRM C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C[C@@H](CO)O1 ZINC000564526100 485151979 /nfs/dbraw/zinc/15/19/79/485151979.db2.gz ZUTVSGBIHNZTJP-UWVGGRQHSA-N -1 0 364.370 -0.149 20 0 FBADRM C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C[C@H](CO)O1 ZINC000564526101 485152489 /nfs/dbraw/zinc/15/24/89/485152489.db2.gz ZUTVSGBIHNZTJP-VHSXEESVSA-N -1 0 364.370 -0.149 20 0 FBADRM C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C[C@@H](CO)O1 ZINC000564526102 485152327 /nfs/dbraw/zinc/15/23/27/485152327.db2.gz ZUTVSGBIHNZTJP-ZJUUUORDSA-N -1 0 364.370 -0.149 20 0 FBADRM C[C@@H]1CCNC(=O)[C@H]1NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000564533379 484001747 /nfs/dbraw/zinc/00/17/47/484001747.db2.gz STCNAINXAYRNPN-PELKAZGASA-N -1 0 361.370 -0.116 20 0 FBADRM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000564533381 484002147 /nfs/dbraw/zinc/00/21/47/484002147.db2.gz STCNAINXAYRNPN-PRHODGIISA-N -1 0 361.370 -0.116 20 0 FBADRM C[C@H]1CCNC(=O)[C@@H]1NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000564533382 484001226 /nfs/dbraw/zinc/00/12/26/484001226.db2.gz STCNAINXAYRNPN-QPUJVOFHSA-N -1 0 361.370 -0.116 20 0 FBADRM C[C@H]1CCNC(=O)[C@H]1NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000564533385 484001730 /nfs/dbraw/zinc/00/17/30/484001730.db2.gz STCNAINXAYRNPN-UFBFGSQYSA-N -1 0 361.370 -0.116 20 0 FBADRM O=C([O-])[C@@]12C[C@@H]1CN(S(=O)(=O)CCNS(=O)(=O)c1ccccc1)C2 ZINC000564555130 485151782 /nfs/dbraw/zinc/15/17/82/485151782.db2.gz SCBASURHOQOBAA-BXUZGUMPSA-N -1 0 374.440 -0.299 20 0 FBADRM O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CCNS(=O)(=O)c1ccccc1)C2 ZINC000564555132 485152141 /nfs/dbraw/zinc/15/21/41/485152141.db2.gz SCBASURHOQOBAA-FZMZJTMJSA-N -1 0 374.440 -0.299 20 0 FBADRM CCOC[C@H](NS(=O)(=O)N1CCC(C(=O)OCC)CC1)C(=O)[O-] ZINC000564555248 485152506 /nfs/dbraw/zinc/15/25/06/485152506.db2.gz WGOZXFKVYCTVEU-NSHDSACASA-N -1 0 352.409 -0.414 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)n1 ZINC000564556119 485152495 /nfs/dbraw/zinc/15/24/95/485152495.db2.gz JLPPQKDCMMARFH-UHFFFAOYSA-N -1 0 360.377 -0.333 20 0 FBADRM CCOC(=O)c1cnccc1[N-]S(=O)(=O)c1cnn(CC(=O)OC)c1 ZINC000564566226 485153384 /nfs/dbraw/zinc/15/33/84/485153384.db2.gz AMMNNXUFPCGJQW-UHFFFAOYSA-N -1 0 368.371 -0.150 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000564567025 485153444 /nfs/dbraw/zinc/15/34/44/485153444.db2.gz HMCVJRPEPHMFRA-JTQLQIEISA-N -1 0 360.479 -0.852 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000564567026 485153591 /nfs/dbraw/zinc/15/35/91/485153591.db2.gz HMCVJRPEPHMFRA-SNVBAGLBSA-N -1 0 360.479 -0.852 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC000564569942 485153229 /nfs/dbraw/zinc/15/32/29/485153229.db2.gz ADYMQBHVXNCAPR-UHFFFAOYSA-N -1 0 363.436 -0.712 20 0 FBADRM O=S(=O)([N-]c1c[nH]cn1)c1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1 ZINC000564584008 483646070 /nfs/dbraw/zinc/64/60/70/483646070.db2.gz CXQPGUXFBPJZGA-SNVBAGLBSA-N -1 0 372.428 -0.034 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000564656546 485154311 /nfs/dbraw/zinc/15/43/11/485154311.db2.gz KWVMZYIRMKGSDZ-GRYCIOLGSA-N -1 0 354.407 -0.524 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000564656547 485154865 /nfs/dbraw/zinc/15/48/65/485154865.db2.gz KWVMZYIRMKGSDZ-SDDRHHMPSA-N -1 0 354.407 -0.524 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000564656548 483801449 /nfs/dbraw/zinc/80/14/49/483801449.db2.gz KWVMZYIRMKGSDZ-SRVKXCTJSA-N -1 0 354.407 -0.524 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000564656549 483801434 /nfs/dbraw/zinc/80/14/34/483801434.db2.gz KWVMZYIRMKGSDZ-WOPDTQHZSA-N -1 0 354.407 -0.524 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccc(S(N)(=O)=O)c(C)c1 ZINC000564687802 660523833 /nfs/dbraw/zinc/52/38/33/660523833.db2.gz AWIRVPAAABHGGY-UHFFFAOYSA-N -1 0 360.417 0.000 20 0 FBADRM CCCc1nc(=NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)s[n-]1 ZINC000564688260 483877058 /nfs/dbraw/zinc/87/70/58/483877058.db2.gz DBRHKVDORDVPFT-UHFFFAOYSA-N -1 0 365.423 -0.725 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1cccc2c1OC(F)(F)O2 ZINC000564713034 485155483 /nfs/dbraw/zinc/15/54/83/485155483.db2.gz LKAPKMCBBNMKMT-UHFFFAOYSA-N -1 0 366.298 -0.123 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N(C)CCC(=O)[O-])c2ccccc2O1 ZINC000564722504 483933197 /nfs/dbraw/zinc/93/31/97/483933197.db2.gz URSWVRWHOBEMQZ-GFCCVEGCSA-N -1 0 350.327 -0.113 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CCC(=O)[O-])c2ccccc2O1 ZINC000564722510 483932611 /nfs/dbraw/zinc/93/26/11/483932611.db2.gz URSWVRWHOBEMQZ-LBPRGKRZSA-N -1 0 350.327 -0.113 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC)C1)C(=O)[O-] ZINC000564722806 483933462 /nfs/dbraw/zinc/93/34/62/483933462.db2.gz RVVBSZINXHQXDG-JTQLQIEISA-N -1 0 363.436 -0.856 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC)C1)C(=O)[O-] ZINC000564722807 483932710 /nfs/dbraw/zinc/93/27/10/483932710.db2.gz RVVBSZINXHQXDG-SNVBAGLBSA-N -1 0 363.436 -0.856 20 0 FBADRM O=C([O-])CCCS(=O)(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000564726858 483959080 /nfs/dbraw/zinc/95/90/80/483959080.db2.gz QYQVVAHXJFYDFH-UHFFFAOYSA-N -1 0 364.445 -0.110 20 0 FBADRM O=C([O-])C1(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CCC1 ZINC000564729539 483969381 /nfs/dbraw/zinc/96/93/81/483969381.db2.gz DYTKQVDRDWIRFK-UHFFFAOYSA-N -1 0 361.402 -0.114 20 0 FBADRM CC[C@@H](NC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(OC)c1)C(=O)[O-] ZINC000564730349 485155309 /nfs/dbraw/zinc/15/53/09/485155309.db2.gz ZCFBXXCPNWXQEK-SECBINFHSA-N -1 0 373.387 -0.015 20 0 FBADRM CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCC[C@H](O)C(=O)[O-] ZINC000564781023 485156315 /nfs/dbraw/zinc/15/63/15/485156315.db2.gz KUEQTCUDPHEOLE-VIFPVBQESA-N -1 0 366.417 -0.901 20 0 FBADRM CS(=O)(=O)CC1(CNS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000564795487 483941735 /nfs/dbraw/zinc/94/17/35/483941735.db2.gz DRFJVGZJAALGNW-JTQLQIEISA-N -1 0 354.450 -0.558 20 0 FBADRM CS(=O)(=O)CC1(CNS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000564795489 483941763 /nfs/dbraw/zinc/94/17/63/483941763.db2.gz DRFJVGZJAALGNW-SNVBAGLBSA-N -1 0 354.450 -0.558 20 0 FBADRM COC[C@@](C)(NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)[O-] ZINC000564797574 483965521 /nfs/dbraw/zinc/96/55/21/483965521.db2.gz SWSZWDKSFDZEEY-CYBMUJFWSA-N -1 0 365.429 -0.001 20 0 FBADRM COC[C@](C)(NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)[O-] ZINC000564797611 483965932 /nfs/dbraw/zinc/96/59/32/483965932.db2.gz SWSZWDKSFDZEEY-ZDUSSCGKSA-N -1 0 365.429 -0.001 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)C[C@H]1C(=O)[O-] ZINC000564798353 485157321 /nfs/dbraw/zinc/15/73/21/485157321.db2.gz KYGFTGKBXIYPKB-RNFRBKRXSA-N -1 0 360.164 -0.110 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]c1cnn(CC(=O)N2CCOCC2)c1 ZINC000564804618 484541478 /nfs/dbraw/zinc/54/14/78/484541478.db2.gz WAIILADHRZYFAL-UHFFFAOYSA-N -1 0 370.391 -0.579 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)C1 ZINC000564824425 483664220 /nfs/dbraw/zinc/66/42/20/483664220.db2.gz OBBUFBZIKCDUJN-NEPJUHHUSA-N -1 0 354.407 -0.619 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)C1 ZINC000564824444 483664406 /nfs/dbraw/zinc/66/44/06/483664406.db2.gz OBBUFBZIKCDUJN-NWDGAFQWSA-N -1 0 354.407 -0.619 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)C1 ZINC000564824447 483664233 /nfs/dbraw/zinc/66/42/33/483664233.db2.gz OBBUFBZIKCDUJN-RYUDHWBXSA-N -1 0 354.407 -0.619 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)C1 ZINC000564824448 483664172 /nfs/dbraw/zinc/66/41/72/483664172.db2.gz OBBUFBZIKCDUJN-VXGBXAGGSA-N -1 0 354.407 -0.619 20 0 FBADRM Cn1c(=O)[nH]c2cc(C(=O)N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)ccc21 ZINC000564832143 483671408 /nfs/dbraw/zinc/67/14/08/483671408.db2.gz KFZODQGEKAOIIQ-LLVKDONJSA-N -1 0 353.356 -0.397 20 0 FBADRM Cn1c(=O)[nH]c2cc(C(=O)N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)ccc21 ZINC000564832144 483670932 /nfs/dbraw/zinc/67/09/32/483670932.db2.gz KFZODQGEKAOIIQ-NSHDSACASA-N -1 0 353.356 -0.397 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)CC2Cc3ccccc3C2)CCS1(=O)=O ZINC000564833069 483671973 /nfs/dbraw/zinc/67/19/73/483671973.db2.gz IYYBSCKECMLGIG-AWEZNQCLSA-N -1 0 373.452 -0.085 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)CC2Cc3ccccc3C2)CCS1(=O)=O ZINC000564833073 483672084 /nfs/dbraw/zinc/67/20/84/483672084.db2.gz IYYBSCKECMLGIG-CQSZACIVSA-N -1 0 373.452 -0.085 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)NCC2(C(=O)[O-])CCCC2)CC1 ZINC000564840839 483678159 /nfs/dbraw/zinc/67/81/59/483678159.db2.gz WKIPELBWZSHCBQ-UHFFFAOYSA-N -1 0 369.465 -0.957 20 0 FBADRM COC(=O)c1nccc2c1cccc2S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000564841034 485158789 /nfs/dbraw/zinc/15/87/89/485158789.db2.gz XNRDSEDWGBLWRK-JTQLQIEISA-N -1 0 354.340 -0.255 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)cnc21 ZINC000564855546 485159396 /nfs/dbraw/zinc/15/93/96/485159396.db2.gz FXISTPUXBLTTEK-LJGSYFOKSA-N -1 0 354.344 -0.824 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000564856744 485159422 /nfs/dbraw/zinc/15/94/22/485159422.db2.gz UAOZORHSHGPSAE-GHMZBOCLSA-N -1 0 371.481 -0.857 20 0 FBADRM CC(C)[C@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000564856745 485159007 /nfs/dbraw/zinc/15/90/07/485159007.db2.gz UAOZORHSHGPSAE-MNOVXSKESA-N -1 0 371.481 -0.857 20 0 FBADRM CC(C)[C@H](C(=O)[O-])[C@H](C)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000564856746 485159444 /nfs/dbraw/zinc/15/94/44/485159444.db2.gz UAOZORHSHGPSAE-QWRGUYRKSA-N -1 0 371.481 -0.857 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000564856747 485158622 /nfs/dbraw/zinc/15/86/22/485158622.db2.gz UAOZORHSHGPSAE-WDEREUQCSA-N -1 0 371.481 -0.857 20 0 FBADRM O=C([O-])C[C@]1(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)CCOC1 ZINC000564856813 483689829 /nfs/dbraw/zinc/68/98/29/483689829.db2.gz YQDRLYYKNDQOMI-CYBMUJFWSA-N -1 0 353.360 -0.426 20 0 FBADRM O=C([O-])C[C@@]1(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)CCOC1 ZINC000564856815 483690201 /nfs/dbraw/zinc/69/02/01/483690201.db2.gz YQDRLYYKNDQOMI-ZDUSSCGKSA-N -1 0 353.360 -0.426 20 0 FBADRM CC[C@@H](C)C[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000564858246 485159289 /nfs/dbraw/zinc/15/92/89/485159289.db2.gz KEOBMVVIKHTBQN-GHMZBOCLSA-N -1 0 371.481 -0.713 20 0 FBADRM CC[C@@H](C)C[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000564858256 485159346 /nfs/dbraw/zinc/15/93/46/485159346.db2.gz KEOBMVVIKHTBQN-MNOVXSKESA-N -1 0 371.481 -0.713 20 0 FBADRM CC[C@H](C)C[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000564858261 485158779 /nfs/dbraw/zinc/15/87/79/485158779.db2.gz KEOBMVVIKHTBQN-QWRGUYRKSA-N -1 0 371.481 -0.713 20 0 FBADRM CC[C@H](C)C[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000564858263 485159037 /nfs/dbraw/zinc/15/90/37/485159037.db2.gz KEOBMVVIKHTBQN-WDEREUQCSA-N -1 0 371.481 -0.713 20 0 FBADRM CN(C1CCN(S(C)(=O)=O)CC1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000564917678 485160010 /nfs/dbraw/zinc/16/00/10/485160010.db2.gz AMAQFTABQHAMLY-UHFFFAOYSA-N -1 0 366.421 -0.848 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)c2ccccc2C(=O)[O-])C1 ZINC000564917979 485159980 /nfs/dbraw/zinc/15/99/80/485159980.db2.gz HDGKTVVXNGOCGQ-JTQLQIEISA-N -1 0 362.429 -0.055 20 0 FBADRM CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)c2ccccc2C(=O)[O-])C1 ZINC000564917983 485160430 /nfs/dbraw/zinc/16/04/30/485160430.db2.gz HDGKTVVXNGOCGQ-SNVBAGLBSA-N -1 0 362.429 -0.055 20 0 FBADRM CS(=O)(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000564919299 485160511 /nfs/dbraw/zinc/16/05/11/485160511.db2.gz CCVBIZXWXAQHLT-NXEZZACHSA-N -1 0 365.433 -0.398 20 0 FBADRM CS(=O)(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000564919312 485160386 /nfs/dbraw/zinc/16/03/86/485160386.db2.gz CCVBIZXWXAQHLT-UWVGGRQHSA-N -1 0 365.433 -0.398 20 0 FBADRM CS(=O)(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000564919313 485160200 /nfs/dbraw/zinc/16/02/00/485160200.db2.gz CCVBIZXWXAQHLT-VHSXEESVSA-N -1 0 365.433 -0.398 20 0 FBADRM CS(=O)(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000564919314 485160305 /nfs/dbraw/zinc/16/03/05/485160305.db2.gz CCVBIZXWXAQHLT-ZJUUUORDSA-N -1 0 365.433 -0.398 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC000564919756 483761377 /nfs/dbraw/zinc/76/13/77/483761377.db2.gz XBHYTKKCJNTXHD-SNVBAGLBSA-N -1 0 363.417 -0.518 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000564920330 483761881 /nfs/dbraw/zinc/76/18/81/483761881.db2.gz FXHGJGZBNYODAC-SSDOTTSWSA-N -1 0 354.431 -0.242 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000564920333 483762024 /nfs/dbraw/zinc/76/20/24/483762024.db2.gz FXHGJGZBNYODAC-ZETCQYMHSA-N -1 0 354.431 -0.242 20 0 FBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000564920745 485160134 /nfs/dbraw/zinc/16/01/34/485160134.db2.gz YKWLRRXNAUPZOQ-UHFFFAOYSA-N -1 0 355.415 -0.126 20 0 FBADRM C[C@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000564920917 485160092 /nfs/dbraw/zinc/16/00/92/485160092.db2.gz QWUQALPMDLAZDM-SECBINFHSA-N -1 0 365.433 -0.446 20 0 FBADRM C[C@@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000564920919 485160129 /nfs/dbraw/zinc/16/01/29/485160129.db2.gz QWUQALPMDLAZDM-VIFPVBQESA-N -1 0 365.433 -0.446 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000564921351 485160366 /nfs/dbraw/zinc/16/03/66/485160366.db2.gz FUUIYYKGYDBLRM-JTQLQIEISA-N -1 0 363.413 -0.046 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000564921356 485160157 /nfs/dbraw/zinc/16/01/57/485160157.db2.gz FUUIYYKGYDBLRM-SNVBAGLBSA-N -1 0 363.413 -0.046 20 0 FBADRM Cc1oc(CNS(=O)(=O)CCCS(=O)(=O)N(C)C)cc1C(=O)[O-] ZINC000564921390 483763581 /nfs/dbraw/zinc/76/35/81/483763581.db2.gz GDYQUJDBZIZUFI-UHFFFAOYSA-N -1 0 368.433 -0.013 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000564921578 485160110 /nfs/dbraw/zinc/16/01/10/485160110.db2.gz YAVPHORIRSZCHN-LURJTMIESA-N -1 0 355.419 -0.847 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000564921582 485160299 /nfs/dbraw/zinc/16/02/99/485160299.db2.gz YAVPHORIRSZCHN-ZCFIWIBFSA-N -1 0 355.419 -0.847 20 0 FBADRM CCN(CC)C(=O)N1CCN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1 ZINC000564922656 485160403 /nfs/dbraw/zinc/16/04/03/485160403.db2.gz AUANPAISPOLCBR-GFCCVEGCSA-N -1 0 362.452 -0.140 20 0 FBADRM CCN(CC)C(=O)N1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC000564922660 485159955 /nfs/dbraw/zinc/15/99/55/485159955.db2.gz AUANPAISPOLCBR-LBPRGKRZSA-N -1 0 362.452 -0.140 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCCc2nnc3ccccn32)cn1 ZINC000564922880 485160496 /nfs/dbraw/zinc/16/04/96/485160496.db2.gz HQRSKDXHRJFNSN-UHFFFAOYSA-N -1 0 364.387 -0.079 20 0 FBADRM CN(C1CCN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1)S(C)(=O)=O ZINC000564923018 483764763 /nfs/dbraw/zinc/76/47/63/483764763.db2.gz AFUQRVQSHIIMQR-LLVKDONJSA-N -1 0 369.465 -0.864 20 0 FBADRM CN(C1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1)S(C)(=O)=O ZINC000564923021 483764733 /nfs/dbraw/zinc/76/47/33/483764733.db2.gz AFUQRVQSHIIMQR-NSHDSACASA-N -1 0 369.465 -0.864 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000564926299 483768061 /nfs/dbraw/zinc/76/80/61/483768061.db2.gz LJZGVPOZXWVXKB-GFCCVEGCSA-N -1 0 356.466 -0.216 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000564926301 483768009 /nfs/dbraw/zinc/76/80/09/483768009.db2.gz LJZGVPOZXWVXKB-LBPRGKRZSA-N -1 0 356.466 -0.216 20 0 FBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](CF)C(=O)[O-])cc1F ZINC000564926749 485160194 /nfs/dbraw/zinc/16/01/94/485160194.db2.gz NDYLDRLELRPKID-SECBINFHSA-N -1 0 358.344 -0.102 20 0 FBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](CF)C(=O)[O-])cc1F ZINC000564926752 485160310 /nfs/dbraw/zinc/16/03/10/485160310.db2.gz NDYLDRLELRPKID-VIFPVBQESA-N -1 0 358.344 -0.102 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)[O-] ZINC000564927037 483769259 /nfs/dbraw/zinc/76/92/59/483769259.db2.gz QCPZHFDOFPIQDD-BDAKNGLRSA-N -1 0 350.418 -0.018 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)[C@H](C)C(=O)[O-] ZINC000564927039 483769046 /nfs/dbraw/zinc/76/90/46/483769046.db2.gz QCPZHFDOFPIQDD-DTWKUNHWSA-N -1 0 350.418 -0.018 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-] ZINC000564927041 483769031 /nfs/dbraw/zinc/76/90/31/483769031.db2.gz QCPZHFDOFPIQDD-IUCAKERBSA-N -1 0 350.418 -0.018 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)[O-] ZINC000564927043 483768980 /nfs/dbraw/zinc/76/89/80/483768980.db2.gz QCPZHFDOFPIQDD-RKDXNWHRSA-N -1 0 350.418 -0.018 20 0 FBADRM COC[C@@](C)(NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2)C(=O)[O-] ZINC000564927340 485160097 /nfs/dbraw/zinc/16/00/97/485160097.db2.gz VEBRRFKHMLUQFM-CYBMUJFWSA-N -1 0 363.413 -0.216 20 0 FBADRM COC[C@](C)(NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2)C(=O)[O-] ZINC000564927342 485160183 /nfs/dbraw/zinc/16/01/83/485160183.db2.gz VEBRRFKHMLUQFM-ZDUSSCGKSA-N -1 0 363.413 -0.216 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CO[C@H](C)C2)ccc1F ZINC000564951956 483850774 /nfs/dbraw/zinc/85/07/74/483850774.db2.gz PULZQSOWXWHWPV-PSASIEDQSA-N -1 0 359.379 -0.034 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CO[C@H](C)C2)ccc1F ZINC000564951957 483850497 /nfs/dbraw/zinc/85/04/97/483850497.db2.gz PULZQSOWXWHWPV-SCZZXKLOSA-N -1 0 359.379 -0.034 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CO[C@@H](C)C2)ccc1F ZINC000564951958 483850460 /nfs/dbraw/zinc/85/04/60/483850460.db2.gz PULZQSOWXWHWPV-WCBMZHEXSA-N -1 0 359.379 -0.034 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000564954219 485161006 /nfs/dbraw/zinc/16/10/06/485161006.db2.gz MOWLLWUAYNYTNK-GFCCVEGCSA-N -1 0 354.384 -0.240 20 0 FBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000564954220 485161046 /nfs/dbraw/zinc/16/10/46/485161046.db2.gz MOWLLWUAYNYTNK-LBPRGKRZSA-N -1 0 354.384 -0.240 20 0 FBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000564961219 483862939 /nfs/dbraw/zinc/86/29/39/483862939.db2.gz UKNOPRIDKNVZGF-TUAOUCFPSA-N -1 0 362.448 -0.052 20 0 FBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000564961220 483863016 /nfs/dbraw/zinc/86/30/16/483863016.db2.gz UKNOPRIDKNVZGF-UTUOFQBUSA-N -1 0 362.448 -0.052 20 0 FBADRM Cc1cc(N2CCN(C(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)CC2)n2ncnc2n1 ZINC000564965357 485162422 /nfs/dbraw/zinc/16/24/22/485162422.db2.gz FYEKHGCENYAKPB-NWDGAFQWSA-N -1 0 360.374 -0.286 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000564966323 485162512 /nfs/dbraw/zinc/16/25/12/485162512.db2.gz CWJFVWZCIQLTGW-FVCCEPFGSA-N -1 0 372.443 -0.409 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000564966328 485162050 /nfs/dbraw/zinc/16/20/50/485162050.db2.gz CWJFVWZCIQLTGW-MROQNXINSA-N -1 0 372.443 -0.409 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000564966329 485162438 /nfs/dbraw/zinc/16/24/38/485162438.db2.gz CWJFVWZCIQLTGW-NDBYEHHHSA-N -1 0 372.443 -0.409 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000564966330 485161989 /nfs/dbraw/zinc/16/19/89/485161989.db2.gz CWJFVWZCIQLTGW-VOAKCMCISA-N -1 0 372.443 -0.409 20 0 FBADRM CCc1oc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1C(=O)OC ZINC000564966356 485162023 /nfs/dbraw/zinc/16/20/23/485162023.db2.gz FTLKBDFBCAURRZ-LLVKDONJSA-N -1 0 359.356 -0.048 20 0 FBADRM CCc1oc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1C(=O)OC ZINC000564966376 485162297 /nfs/dbraw/zinc/16/22/97/485162297.db2.gz FTLKBDFBCAURRZ-NSHDSACASA-N -1 0 359.356 -0.048 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N(C)CCC(=O)[O-])c1 ZINC000564966817 485161975 /nfs/dbraw/zinc/16/19/75/485161975.db2.gz GYKRERIQRBHMAS-UHFFFAOYSA-N -1 0 371.415 -0.400 20 0 FBADRM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCCC(=O)[O-])CC2 ZINC000564969999 485162247 /nfs/dbraw/zinc/16/22/47/485162247.db2.gz CPGNLSOUTWCNQC-UHFFFAOYSA-N -1 0 369.399 -0.535 20 0 FBADRM COc1cc(NC(=O)C(=O)NCCCC(=O)[O-])ccc1NS(C)(=O)=O ZINC000564970635 483867476 /nfs/dbraw/zinc/86/74/76/483867476.db2.gz GLYLOIWWSRTBHC-UHFFFAOYSA-N -1 0 373.387 -0.014 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCNC(=O)CC2)C[C@H]1c1ccccc1 ZINC000564971120 485162329 /nfs/dbraw/zinc/16/23/29/485162329.db2.gz IUVZCMGPLLBHED-UONOGXRCSA-N -1 0 359.382 -0.338 20 0 FBADRM CC[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000564971126 485162224 /nfs/dbraw/zinc/16/22/24/485162224.db2.gz JAEOSWSEFOAGTC-LLVKDONJSA-N -1 0 357.388 -0.145 20 0 FBADRM CN(C(=O)C(=O)Nc1cccc(C(=O)[O-])c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000564972134 483868820 /nfs/dbraw/zinc/86/88/20/483868820.db2.gz RXFZUOCCOWCLGE-GFCCVEGCSA-N -1 0 369.399 -0.184 20 0 FBADRM CN(C(=O)C(=O)Nc1cccc(C(=O)[O-])c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000564972137 483868876 /nfs/dbraw/zinc/86/88/76/483868876.db2.gz RXFZUOCCOWCLGE-LBPRGKRZSA-N -1 0 369.399 -0.184 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccnn3)CC2)C[C@H]1C(=O)[O-] ZINC000564972224 485162340 /nfs/dbraw/zinc/16/23/40/485162340.db2.gz UFZCTJKRDHXXNF-CHWSQXEVSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccnn3)CC2)C[C@@H]1C(=O)[O-] ZINC000564972226 485162135 /nfs/dbraw/zinc/16/21/35/485162135.db2.gz UFZCTJKRDHXXNF-OLZOCXBDSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cccnn3)CC2)C[C@H]1C(=O)[O-] ZINC000564972227 485161982 /nfs/dbraw/zinc/16/19/82/485161982.db2.gz UFZCTJKRDHXXNF-QWHCGFSZSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cccnn3)CC2)C[C@@H]1C(=O)[O-] ZINC000564972228 485162579 /nfs/dbraw/zinc/16/25/79/485162579.db2.gz UFZCTJKRDHXXNF-STQMWFEESA-N -1 0 361.402 -0.306 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000564972475 485162080 /nfs/dbraw/zinc/16/20/80/485162080.db2.gz VWQKNRQXOSGHEQ-UHFFFAOYSA-N -1 0 369.399 -0.183 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)C[C@H]1C(=O)[O-] ZINC000564972748 485162444 /nfs/dbraw/zinc/16/24/44/485162444.db2.gz YOQKQFHUPHQNAW-FDYHWXHSSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)C[C@H]1C(=O)[O-] ZINC000564972749 485162062 /nfs/dbraw/zinc/16/20/62/485162062.db2.gz YOQKQFHUPHQNAW-LPWJVIDDSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)C[C@@H]1C(=O)[O-] ZINC000564972750 485161927 /nfs/dbraw/zinc/16/19/27/485161927.db2.gz YOQKQFHUPHQNAW-XQHKEYJVSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)C[C@@H]1C(=O)[O-] ZINC000564972753 485162016 /nfs/dbraw/zinc/16/20/16/485162016.db2.gz YOQKQFHUPHQNAW-YVECIDJPSA-N -1 0 351.403 -0.175 20 0 FBADRM CC[C@@H](NC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)C(=O)[O-] ZINC000564972798 485162495 /nfs/dbraw/zinc/16/24/95/485162495.db2.gz XFLHKZQPLYKXIZ-LLVKDONJSA-N -1 0 357.388 -0.346 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2C[C@H](CO)[C@H](O)C2)C[C@@H]1c1ccccc1 ZINC000564973982 485162055 /nfs/dbraw/zinc/16/20/55/485162055.db2.gz AEBKCYVQJJVZSX-APIJFGDWSA-N -1 0 362.382 -0.875 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)C[C@@H]1c1ccccc1 ZINC000564973983 485162305 /nfs/dbraw/zinc/16/23/05/485162305.db2.gz AEBKCYVQJJVZSX-KBXIAJHMSA-N -1 0 362.382 -0.875 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2C[C@@H](O)[C@H](CO)C2)C[C@@H]1c1ccccc1 ZINC000564973984 485162334 /nfs/dbraw/zinc/16/23/34/485162334.db2.gz AEBKCYVQJJVZSX-LJISPDSOSA-N -1 0 362.382 -0.875 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2C[C@H](O)[C@H](CO)C2)C[C@@H]1c1ccccc1 ZINC000564973985 485162567 /nfs/dbraw/zinc/16/25/67/485162567.db2.gz AEBKCYVQJJVZSX-XGUBFFRZSA-N -1 0 362.382 -0.875 20 0 FBADRM COC(=O)[C@H](O)C1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000564975368 485162091 /nfs/dbraw/zinc/16/20/91/485162091.db2.gz MBPSUQHSGPZVLT-CYZMBNFOSA-N -1 0 370.402 -0.672 20 0 FBADRM COC(=O)[C@H](O)C1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000564975372 485162617 /nfs/dbraw/zinc/16/26/17/485162617.db2.gz MBPSUQHSGPZVLT-KGYLQXTDSA-N -1 0 370.402 -0.672 20 0 FBADRM COC(=O)[C@H](O)C1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000564975374 483871483 /nfs/dbraw/zinc/87/14/83/483871483.db2.gz MBPSUQHSGPZVLT-RAIGVLPGSA-N -1 0 370.402 -0.672 20 0 FBADRM COC(=O)[C@H](O)C1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000564975375 483871560 /nfs/dbraw/zinc/87/15/60/483871560.db2.gz MBPSUQHSGPZVLT-WCFLWFBJSA-N -1 0 370.402 -0.672 20 0 FBADRM C[C@H]1CCN(C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)C[C@H]1C(=O)[O-] ZINC000564977574 485161913 /nfs/dbraw/zinc/16/19/13/485161913.db2.gz GSEDZASYRKPTOJ-GXSJLCMTSA-N -1 0 362.386 -0.242 20 0 FBADRM C[C@@H]1CCN(C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)C[C@@H]1C(=O)[O-] ZINC000564977575 485162620 /nfs/dbraw/zinc/16/26/20/485162620.db2.gz GSEDZASYRKPTOJ-KOLCDFICSA-N -1 0 362.386 -0.242 20 0 FBADRM C[C@@H]1CCN(C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)C[C@H]1C(=O)[O-] ZINC000564977576 485162535 /nfs/dbraw/zinc/16/25/35/485162535.db2.gz GSEDZASYRKPTOJ-MWLCHTKSSA-N -1 0 362.386 -0.242 20 0 FBADRM C[C@H]1CCN(C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)C[C@@H]1C(=O)[O-] ZINC000564977577 485161936 /nfs/dbraw/zinc/16/19/36/485161936.db2.gz GSEDZASYRKPTOJ-ONGXEEELSA-N -1 0 362.386 -0.242 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@](C)(O)C(=O)[O-])cc1 ZINC000564977605 485162141 /nfs/dbraw/zinc/16/21/41/485162141.db2.gz GJLNVKGZIRUBCE-AWEZNQCLSA-N -1 0 358.372 -0.881 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@](C)(O)C(=O)[O-])cc1 ZINC000564977607 483874087 /nfs/dbraw/zinc/87/40/87/483874087.db2.gz GJLNVKGZIRUBCE-CQSZACIVSA-N -1 0 358.372 -0.881 20 0 FBADRM C[C@@H]1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H]1C(=O)[O-] ZINC000564978449 485162418 /nfs/dbraw/zinc/16/24/18/485162418.db2.gz MCXSITZTEZSYBT-NXEZZACHSA-N -1 0 363.374 -0.997 20 0 FBADRM C[C@H]1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H]1C(=O)[O-] ZINC000564978453 485162403 /nfs/dbraw/zinc/16/24/03/485162403.db2.gz MCXSITZTEZSYBT-UWVGGRQHSA-N -1 0 363.374 -0.997 20 0 FBADRM C[C@H]1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H]1C(=O)[O-] ZINC000564978456 485162563 /nfs/dbraw/zinc/16/25/63/485162563.db2.gz MCXSITZTEZSYBT-VHSXEESVSA-N -1 0 363.374 -0.997 20 0 FBADRM C[C@@H]1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H]1C(=O)[O-] ZINC000564978457 485162106 /nfs/dbraw/zinc/16/21/06/485162106.db2.gz MCXSITZTEZSYBT-ZJUUUORDSA-N -1 0 363.374 -0.997 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)C(=O)NCCCC(=O)[O-])s1 ZINC000564979149 485162203 /nfs/dbraw/zinc/16/22/03/485162203.db2.gz IYKQPDFGXPOUOZ-UHFFFAOYSA-N -1 0 363.417 -0.747 20 0 FBADRM C[NH+](C)CCN(CC(=O)[O-])C(=O)CNS(=O)(=O)c1ccccc1F ZINC000564979634 483876530 /nfs/dbraw/zinc/87/65/30/483876530.db2.gz WCTFDIPEDLZMBA-UHFFFAOYSA-N -1 0 361.395 -0.421 20 0 FBADRM Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC000564980635 483877560 /nfs/dbraw/zinc/87/75/60/483877560.db2.gz APEOAWXMXVBYAT-GFCCVEGCSA-N -1 0 352.391 -0.082 20 0 FBADRM Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC000564980636 483877719 /nfs/dbraw/zinc/87/77/19/483877719.db2.gz APEOAWXMXVBYAT-LBPRGKRZSA-N -1 0 352.391 -0.082 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N1CCS(=O)(=O)c2ccccc2C1 ZINC000564981456 485163503 /nfs/dbraw/zinc/16/35/03/485163503.db2.gz ZAQIAMLPOLFVIW-UHFFFAOYSA-N -1 0 354.384 -0.217 20 0 FBADRM Cn1c(=O)n(CC(=O)NCC(=O)[O-])c(=O)c2ccc(C(F)(F)F)nc21 ZINC000564984597 483881050 /nfs/dbraw/zinc/88/10/50/483881050.db2.gz YMVJNZSBURVQFD-UHFFFAOYSA-N -1 0 360.248 -0.685 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)C(=O)NCCCC(=O)[O-])C2=O)n1 ZINC000564985009 485163514 /nfs/dbraw/zinc/16/35/14/485163514.db2.gz CYCJKDAWPJOIFX-JTQLQIEISA-N -1 0 351.363 -0.987 20 0 FBADRM Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])C2=O)n1 ZINC000564985010 485163243 /nfs/dbraw/zinc/16/32/43/485163243.db2.gz CYCJKDAWPJOIFX-SNVBAGLBSA-N -1 0 351.363 -0.987 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCCCCCS(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000564985329 485163321 /nfs/dbraw/zinc/16/33/21/485163321.db2.gz GVSNKFPHNUONMX-NEPJUHHUSA-N -1 0 362.448 -0.113 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCCCCCS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000564985330 485163224 /nfs/dbraw/zinc/16/32/24/485163224.db2.gz GVSNKFPHNUONMX-NWDGAFQWSA-N -1 0 362.448 -0.113 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCCCCCS(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000564985331 485163492 /nfs/dbraw/zinc/16/34/92/485163492.db2.gz GVSNKFPHNUONMX-RYUDHWBXSA-N -1 0 362.448 -0.113 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCCCCCS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000564985432 485163367 /nfs/dbraw/zinc/16/33/67/485163367.db2.gz GVSNKFPHNUONMX-VXGBXAGGSA-N -1 0 362.448 -0.113 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)NCCCS(=O)(=O)c1ccccc1 ZINC000564985698 485163167 /nfs/dbraw/zinc/16/31/67/485163167.db2.gz JGCCDICUVXMCBT-UHFFFAOYSA-N -1 0 356.400 -0.052 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000564985872 485163442 /nfs/dbraw/zinc/16/34/42/485163442.db2.gz KLMCWHMITFZNEY-JTQLQIEISA-N -1 0 370.383 -0.682 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000564985876 485163419 /nfs/dbraw/zinc/16/34/19/485163419.db2.gz KLMCWHMITFZNEY-SNVBAGLBSA-N -1 0 370.383 -0.682 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cn1 ZINC000565026477 485164329 /nfs/dbraw/zinc/16/43/29/485164329.db2.gz QWELGPVCZNVAJP-JTQLQIEISA-N -1 0 366.403 -0.167 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cn1 ZINC000565026478 485163803 /nfs/dbraw/zinc/16/38/03/485163803.db2.gz QWELGPVCZNVAJP-SNVBAGLBSA-N -1 0 366.403 -0.167 20 0 FBADRM CCN1CCN(C(=O)CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000565028406 485164429 /nfs/dbraw/zinc/16/44/29/485164429.db2.gz IKUXTWJWJCZGRG-UHFFFAOYSA-N -1 0 360.374 -0.670 20 0 FBADRM CNC(=O)[C@@H](CNC(=O)c1n[nH]c(=O)[n-]1)Cc1ccc(OC)c(F)c1 ZINC000565031374 485163841 /nfs/dbraw/zinc/16/38/41/485163841.db2.gz OTVAJYFPKOHHBD-SECBINFHSA-N -1 0 351.338 -0.007 20 0 FBADRM CNC(=O)[C@H](CNC(=O)c1n[nH]c(=O)[n-]1)Cc1ccc(OC)c(F)c1 ZINC000565031375 485164250 /nfs/dbraw/zinc/16/42/50/485164250.db2.gz OTVAJYFPKOHHBD-VIFPVBQESA-N -1 0 351.338 -0.007 20 0 FBADRM CC(C)(C(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000565031506 485164161 /nfs/dbraw/zinc/16/41/61/485164161.db2.gz PSUJDOXKJCVEFR-UHFFFAOYSA-N -1 0 373.387 -0.678 20 0 FBADRM O=C([O-])c1ccc(NC2CCN(S(=O)(=O)C3CCOCC3)CC2)nn1 ZINC000565035633 484367703 /nfs/dbraw/zinc/36/77/03/484367703.db2.gz PBIFGFUXRQXMSY-UHFFFAOYSA-N -1 0 370.431 0.560 20 0 FBADRM O=C([O-])c1cncnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000565036705 485164483 /nfs/dbraw/zinc/16/44/83/485164483.db2.gz UFDZMYYFOCSTFX-UHFFFAOYSA-N -1 0 353.360 -0.185 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccccc1CNc1ncc(C(=O)[O-])cn1 ZINC000565036711 484125566 /nfs/dbraw/zinc/12/55/66/484125566.db2.gz ZMNKCUZMDVALCC-UHFFFAOYSA-N -1 0 366.399 0.400 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(SCC(=O)[O-])c(S(N)(=O)=O)c1 ZINC000565038541 485164471 /nfs/dbraw/zinc/16/44/71/485164471.db2.gz QTNKUFIYPBUGMY-UHFFFAOYSA-N -1 0 354.431 -0.239 20 0 FBADRM CS(=O)(=O)N(CCN1CCN(C(=O)C(=O)[O-])CC1)Cc1ccccc1 ZINC000565043661 485164990 /nfs/dbraw/zinc/16/49/90/485164990.db2.gz JSFMVRDXHSOVFO-UHFFFAOYSA-N -1 0 369.443 -0.323 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]c1ccc(S(=O)(=O)CCO)cc1 ZINC000565052733 484541441 /nfs/dbraw/zinc/54/14/41/484541441.db2.gz AYKOUUJAKKADMV-UHFFFAOYSA-N -1 0 361.401 0.132 20 0 FBADRM CO[C@@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)CC(=O)[O-] ZINC000565054631 485165558 /nfs/dbraw/zinc/16/55/58/485165558.db2.gz MWRHHGRVVLVCJI-LLVKDONJSA-N -1 0 372.465 -0.933 20 0 FBADRM CO[C@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)CC(=O)[O-] ZINC000565054638 485164980 /nfs/dbraw/zinc/16/49/80/485164980.db2.gz MWRHHGRVVLVCJI-NSHDSACASA-N -1 0 372.465 -0.933 20 0 FBADRM CC(C)(C)OC[C@H](NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC000565054804 485165688 /nfs/dbraw/zinc/16/56/88/485165688.db2.gz DQSLBBHRLCKLKN-MNOVXSKESA-N -1 0 371.477 -0.001 20 0 FBADRM CC(C)(C)OC[C@H](NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC000565054805 485165128 /nfs/dbraw/zinc/16/51/28/485165128.db2.gz DQSLBBHRLCKLKN-QWRGUYRKSA-N -1 0 371.477 -0.001 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])cc1 ZINC000565055172 485165475 /nfs/dbraw/zinc/16/54/75/485165475.db2.gz FNXMTWULRRJMHV-DAOPMYJZSA-N -1 0 374.440 -0.607 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])cc1 ZINC000565055174 485165680 /nfs/dbraw/zinc/16/56/80/485165680.db2.gz FNXMTWULRRJMHV-MYODQAERSA-N -1 0 374.440 -0.607 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])cc1 ZINC000565055175 485165340 /nfs/dbraw/zinc/16/53/40/485165340.db2.gz FNXMTWULRRJMHV-SFDCACGMSA-N -1 0 374.440 -0.607 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])cc1 ZINC000565055176 485165280 /nfs/dbraw/zinc/16/52/80/485165280.db2.gz FNXMTWULRRJMHV-SPSFWMDKSA-N -1 0 374.440 -0.607 20 0 FBADRM NC(=O)CC[C@H](NS(=O)(=O)CCc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000565055380 485164971 /nfs/dbraw/zinc/16/49/71/485164971.db2.gz QOWLATIWADQDLH-LBPRGKRZSA-N -1 0 356.400 -0.198 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N2CSC[C@@H]2C(=O)[O-])CC1 ZINC000565056662 483945351 /nfs/dbraw/zinc/94/53/51/483945351.db2.gz ZAVKIYLYMANFPQ-SNVBAGLBSA-N -1 0 372.490 -0.553 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000565057212 485165493 /nfs/dbraw/zinc/16/54/93/485165493.db2.gz ZKPTZPUSZUCLOY-NXEZZACHSA-N -1 0 361.445 -0.026 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000565057215 485164923 /nfs/dbraw/zinc/16/49/23/485164923.db2.gz ZKPTZPUSZUCLOY-UWVGGRQHSA-N -1 0 361.445 -0.026 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000565057216 485165301 /nfs/dbraw/zinc/16/53/01/485165301.db2.gz ZKPTZPUSZUCLOY-VHSXEESVSA-N -1 0 361.445 -0.026 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000565057217 485165693 /nfs/dbraw/zinc/16/56/93/485165693.db2.gz ZKPTZPUSZUCLOY-ZJUUUORDSA-N -1 0 361.445 -0.026 20 0 FBADRM CC(C)(CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000565057440 485165603 /nfs/dbraw/zinc/16/56/03/485165603.db2.gz GNXIRNLJIKDUIC-UHFFFAOYSA-N -1 0 356.466 -0.312 20 0 FBADRM O=C([O-])c1cc(F)cc(S(=O)(=O)NCCN2CCCS2(=O)=O)c1 ZINC000565060831 485165634 /nfs/dbraw/zinc/16/56/34/485165634.db2.gz HWPXOBZWOMOBKF-UHFFFAOYSA-N -1 0 366.392 -0.162 20 0 FBADRM CCn1cc(S(=O)(=O)N2CCO[C@H](CNC(C)=O)C2)cc1C(=O)[O-] ZINC000565061584 485165346 /nfs/dbraw/zinc/16/53/46/485165346.db2.gz UNRKUOORHZQTJT-LLVKDONJSA-N -1 0 359.404 -0.268 20 0 FBADRM CCn1cc(S(=O)(=O)N2CCO[C@@H](CNC(C)=O)C2)cc1C(=O)[O-] ZINC000565061585 485165088 /nfs/dbraw/zinc/16/50/88/485165088.db2.gz UNRKUOORHZQTJT-NSHDSACASA-N -1 0 359.404 -0.268 20 0 FBADRM Cc1c(F)cc(S(=O)(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1C(=O)[O-] ZINC000565061624 485165420 /nfs/dbraw/zinc/16/54/20/485165420.db2.gz JTWLUPCRIDSMEN-AOOOYVTPSA-N -1 0 356.331 -0.275 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@H]2CCc3nnnn3CC2)s1 ZINC000565070478 483969443 /nfs/dbraw/zinc/96/94/43/483969443.db2.gz OXIAEHIAHAQQPX-LURJTMIESA-N -1 0 358.409 -0.513 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@H]2CCc3nnnn3CC2)s1 ZINC000565070498 483970299 /nfs/dbraw/zinc/97/02/99/483970299.db2.gz OXIAEHIAHAQQPX-ZCFIWIBFSA-N -1 0 358.409 -0.513 20 0 FBADRM CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000565084876 485167125 /nfs/dbraw/zinc/16/71/25/485167125.db2.gz POYKFFAEHLSANI-UHFFFAOYSA-N -1 0 355.380 -0.955 20 0 FBADRM CNC(=O)[C@H](C)NC(=O)C(=O)N=c1nc(-c2cccc(OC)c2)[n-]s1 ZINC000565138254 485168270 /nfs/dbraw/zinc/16/82/70/485168270.db2.gz GSBUUDMCOYFFDM-QMMMGPOBSA-N -1 0 363.399 -0.175 20 0 FBADRM C[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1 ZINC000565230668 485171707 /nfs/dbraw/zinc/17/17/07/485171707.db2.gz UGDRVXNZEUXVAK-QMMMGPOBSA-N -1 0 361.405 -0.735 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2C3CCC2CC3)nn1 ZINC000565231416 485172066 /nfs/dbraw/zinc/17/20/66/485172066.db2.gz JHYITUJQNRKILK-UHFFFAOYSA-N -1 0 363.465 -0.097 20 0 FBADRM CC1(O)CN(S(=O)(=O)c2cccc(S(=O)(=O)[N-]c3c[nH]cn3)c2)C1 ZINC000565231547 485171883 /nfs/dbraw/zinc/17/18/83/485171883.db2.gz RKUAYLUXIDKUTA-UHFFFAOYSA-N -1 0 372.428 -0.034 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccncc2)cn1 ZINC000565232757 485171551 /nfs/dbraw/zinc/17/15/51/485171551.db2.gz MLCPPNONFXDYRA-GFCCVEGCSA-N -1 0 368.371 -0.055 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccncc2)cn1 ZINC000565232758 485171514 /nfs/dbraw/zinc/17/15/14/485171514.db2.gz MLCPPNONFXDYRA-LBPRGKRZSA-N -1 0 368.371 -0.055 20 0 FBADRM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c1 ZINC000565232779 485171353 /nfs/dbraw/zinc/17/13/53/485171353.db2.gz MVDBHYCJJMMHRV-SECBINFHSA-N -1 0 351.402 -0.569 20 0 FBADRM CCN(C)C(=O)c1cccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000565263156 485175350 /nfs/dbraw/zinc/17/53/50/485175350.db2.gz YDPIRRNAFYMGBJ-LLVKDONJSA-N -1 0 357.388 -0.615 20 0 FBADRM C[C@@H](CN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-] ZINC000565301188 485176632 /nfs/dbraw/zinc/17/66/32/485176632.db2.gz NPEBSMMGGJMDBJ-JTQLQIEISA-N -1 0 356.466 -0.217 20 0 FBADRM C[C@H](CN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-] ZINC000565301191 485177315 /nfs/dbraw/zinc/17/73/15/485177315.db2.gz NPEBSMMGGJMDBJ-SNVBAGLBSA-N -1 0 356.466 -0.217 20 0 FBADRM CS(=O)(=O)[C@@H]1CCC[C@H](NS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000565301447 485176872 /nfs/dbraw/zinc/17/68/72/485176872.db2.gz VEEPLJSICBTTML-GRYCIOLGSA-N -1 0 368.477 -0.027 20 0 FBADRM CS(=O)(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000565301449 485176517 /nfs/dbraw/zinc/17/65/17/485176517.db2.gz VEEPLJSICBTTML-IJLUTSLNSA-N -1 0 368.477 -0.027 20 0 FBADRM CS(=O)(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000565301450 485177321 /nfs/dbraw/zinc/17/73/21/485177321.db2.gz VEEPLJSICBTTML-QJPTWQEYSA-N -1 0 368.477 -0.027 20 0 FBADRM CS(=O)(=O)[C@@H]1CCC[C@H](NS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000565301451 485176793 /nfs/dbraw/zinc/17/67/93/485176793.db2.gz VEEPLJSICBTTML-SDDRHHMPSA-N -1 0 368.477 -0.027 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000565304541 485177325 /nfs/dbraw/zinc/17/73/25/485177325.db2.gz UJKQISNTRZNOIQ-GFCCVEGCSA-N -1 0 355.391 -0.935 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000565304544 485176495 /nfs/dbraw/zinc/17/64/95/485176495.db2.gz UJKQISNTRZNOIQ-LBPRGKRZSA-N -1 0 355.391 -0.935 20 0 FBADRM CCOC(=O)C1CCN(C(=O)CN(C)C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CC1 ZINC000565362884 485179404 /nfs/dbraw/zinc/17/94/04/485179404.db2.gz REGMWXCELNZNPB-QWHCGFSZSA-N -1 0 370.402 -0.121 20 0 FBADRM CN(C)C(=O)COc1cccc(CNC(=O)C(=O)NCCCC(=O)[O-])c1 ZINC000565363087 485179376 /nfs/dbraw/zinc/17/93/76/485179376.db2.gz CQADQTRQJUNKDY-UHFFFAOYSA-N -1 0 365.386 -0.249 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCn3ncnc3C2)C[C@H]1c1ccccc1 ZINC000565363296 485178888 /nfs/dbraw/zinc/17/88/88/485178888.db2.gz CQPHHEPXCGTFBT-UONOGXRCSA-N -1 0 369.381 -0.053 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000565364988 485178869 /nfs/dbraw/zinc/17/88/69/485178869.db2.gz XUUKJJVZMGUVBC-LLVKDONJSA-N -1 0 373.435 -0.189 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000565364993 485179616 /nfs/dbraw/zinc/17/96/16/485179616.db2.gz XUUKJJVZMGUVBC-NSHDSACASA-N -1 0 373.435 -0.189 20 0 FBADRM CC(C)(C)c1nc(=NC(=O)c2nc(N)nc(N3CCOCC3)n2)s[n-]1 ZINC000565368044 484507130 /nfs/dbraw/zinc/50/71/30/484507130.db2.gz KFFOQTOCHSHOTP-UHFFFAOYSA-N -1 0 364.435 0.114 20 0 FBADRM CNC(=O)CC1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000565421164 485181527 /nfs/dbraw/zinc/18/15/27/485181527.db2.gz BTYAOFIAUGYMTN-AAEUAGOBSA-N -1 0 353.419 -0.070 20 0 FBADRM CNC(=O)CC1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000565421165 485181878 /nfs/dbraw/zinc/18/18/78/485181878.db2.gz BTYAOFIAUGYMTN-DGCLKSJQSA-N -1 0 353.419 -0.070 20 0 FBADRM CNC(=O)CC1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000565421166 485181463 /nfs/dbraw/zinc/18/14/63/485181463.db2.gz BTYAOFIAUGYMTN-WCQYABFASA-N -1 0 353.419 -0.070 20 0 FBADRM CNC(=O)CC1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000565421168 485181984 /nfs/dbraw/zinc/18/19/84/485181984.db2.gz BTYAOFIAUGYMTN-YPMHNXCESA-N -1 0 353.419 -0.070 20 0 FBADRM CC(=O)NCCN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000565421553 485181381 /nfs/dbraw/zinc/18/13/81/485181381.db2.gz DUQKVMSDQVHVOJ-CABCVRRESA-N -1 0 361.398 -0.092 20 0 FBADRM CC(C)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000565421846 485181596 /nfs/dbraw/zinc/18/15/96/485181596.db2.gz JOCIBGZRHYEQJH-BXKDBHETSA-N -1 0 371.415 -0.322 20 0 FBADRM CC(C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000565421851 485181771 /nfs/dbraw/zinc/18/17/71/485181771.db2.gz JOCIBGZRHYEQJH-JOYOIKCWSA-N -1 0 371.415 -0.322 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)CC2)C[C@H]1C(=O)[O-] ZINC000565423070 485181629 /nfs/dbraw/zinc/18/16/29/485181629.db2.gz ZHNSIXRZUDLSBS-CHWSQXEVSA-N -1 0 355.435 -0.529 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)CC2)C[C@@H]1C(=O)[O-] ZINC000565423071 485181478 /nfs/dbraw/zinc/18/14/78/485181478.db2.gz ZHNSIXRZUDLSBS-OLZOCXBDSA-N -1 0 355.435 -0.529 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)CC2)C[C@H]1C(=O)[O-] ZINC000565423072 485181797 /nfs/dbraw/zinc/18/17/97/485181797.db2.gz ZHNSIXRZUDLSBS-QWHCGFSZSA-N -1 0 355.435 -0.529 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)CC2)C[C@@H]1C(=O)[O-] ZINC000565423073 485181785 /nfs/dbraw/zinc/18/17/85/485181785.db2.gz ZHNSIXRZUDLSBS-STQMWFEESA-N -1 0 355.435 -0.529 20 0 FBADRM CCOC[C@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000565429462 485181689 /nfs/dbraw/zinc/18/16/89/485181689.db2.gz ZZAKXEDUGYMRBC-NSHDSACASA-N -1 0 372.465 -0.933 20 0 FBADRM COc1cccc(-c2nc(=NC(=O)C(=O)N[C@H](C)CC(N)=O)s[n-]2)c1 ZINC000565451593 485182405 /nfs/dbraw/zinc/18/24/05/485182405.db2.gz SBDVPSHJCZTJLL-MRVPVSSYSA-N -1 0 363.399 -0.046 20 0 FBADRM COc1cccc(-c2nc(=NC(=O)C(=O)N[C@@H](C)CC(N)=O)s[n-]2)c1 ZINC000565451596 485182443 /nfs/dbraw/zinc/18/24/43/485182443.db2.gz SBDVPSHJCZTJLL-QMMMGPOBSA-N -1 0 363.399 -0.046 20 0 FBADRM Nc1noc(CCNC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)n1 ZINC000565453166 484549697 /nfs/dbraw/zinc/54/96/97/484549697.db2.gz UGGCHBLIPDDEMF-UHFFFAOYSA-N -1 0 361.330 -0.433 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)s[n-]1 ZINC000565467435 483579175 /nfs/dbraw/zinc/57/91/75/483579175.db2.gz MTPKQHGDBBYNTR-UHFFFAOYSA-N -1 0 354.436 -0.323 20 0 FBADRM COCc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCS(=O)(=O)CC2)c1 ZINC000565478267 485183735 /nfs/dbraw/zinc/18/37/35/485183735.db2.gz UNGNSFLZSWTVPK-UHFFFAOYSA-N -1 0 363.413 -0.050 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)[O-] ZINC000565481045 485183701 /nfs/dbraw/zinc/18/37/01/485183701.db2.gz MOWCJILABWPDGH-CHWSQXEVSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ncccn3)CC2)C[C@@H]1C(=O)[O-] ZINC000565481047 485183605 /nfs/dbraw/zinc/18/36/05/485183605.db2.gz MOWCJILABWPDGH-OLZOCXBDSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)[O-] ZINC000565481048 485183686 /nfs/dbraw/zinc/18/36/86/485183686.db2.gz MOWCJILABWPDGH-QWHCGFSZSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ncccn3)CC2)C[C@@H]1C(=O)[O-] ZINC000565481050 485183598 /nfs/dbraw/zinc/18/35/98/485183598.db2.gz MOWCJILABWPDGH-STQMWFEESA-N -1 0 361.402 -0.306 20 0 FBADRM NS(=O)(=O)c1cnc(N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)s1 ZINC000565483633 485184003 /nfs/dbraw/zinc/18/40/03/485184003.db2.gz MCDQQROQYPFRKJ-SSDOTTSWSA-N -1 0 358.405 -0.078 20 0 FBADRM NS(=O)(=O)c1cnc(N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)s1 ZINC000565483634 485183621 /nfs/dbraw/zinc/18/36/21/485183621.db2.gz MCDQQROQYPFRKJ-ZETCQYMHSA-N -1 0 358.405 -0.078 20 0 FBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000565484107 485183838 /nfs/dbraw/zinc/18/38/38/485183838.db2.gz XFRIONQNFNDYAI-KBPBESRZSA-N -1 0 355.435 -0.265 20 0 FBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000565484108 485183743 /nfs/dbraw/zinc/18/37/43/485183743.db2.gz XFRIONQNFNDYAI-KGLIPLIRSA-N -1 0 355.435 -0.265 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000565484109 485183581 /nfs/dbraw/zinc/18/35/81/485183581.db2.gz XFRIONQNFNDYAI-UONOGXRCSA-N -1 0 355.435 -0.265 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000565484110 485184042 /nfs/dbraw/zinc/18/40/42/485184042.db2.gz XFRIONQNFNDYAI-ZIAGYGMSSA-N -1 0 355.435 -0.265 20 0 FBADRM CCOC[C@H](NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)[O-] ZINC000565514378 485185293 /nfs/dbraw/zinc/18/52/93/485185293.db2.gz YUIRYIPVNSSALC-LBPRGKRZSA-N -1 0 365.429 -0.001 20 0 FBADRM CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])oc2C)C1 ZINC000565536994 485185193 /nfs/dbraw/zinc/18/51/93/485185193.db2.gz GMFPDBWPRWYCNO-SECBINFHSA-N -1 0 366.417 -0.011 20 0 FBADRM CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])oc2C)C1 ZINC000565536995 485185517 /nfs/dbraw/zinc/18/55/17/485185517.db2.gz GMFPDBWPRWYCNO-VIFPVBQESA-N -1 0 366.417 -0.011 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC000565538786 483644769 /nfs/dbraw/zinc/64/47/69/483644769.db2.gz SWGAOZNSBNQQHZ-SECBINFHSA-N -1 0 363.417 -0.518 20 0 FBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000565539901 485186359 /nfs/dbraw/zinc/18/63/59/485186359.db2.gz GMJWYBSHVJPYEK-AWEZNQCLSA-N -1 0 353.375 -0.837 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000565539906 485186552 /nfs/dbraw/zinc/18/65/52/485186552.db2.gz GMJWYBSHVJPYEK-CQSZACIVSA-N -1 0 353.375 -0.837 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCc2ccc3c(c2)OCO3)CCS1(=O)=O ZINC000565593068 485187174 /nfs/dbraw/zinc/18/71/74/485187174.db2.gz CVKWJTADQJTBMT-CYBMUJFWSA-N -1 0 370.383 -0.149 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCc2ccc3c(c2)OCO3)CCS1(=O)=O ZINC000565593070 485187705 /nfs/dbraw/zinc/18/77/05/485187705.db2.gz CVKWJTADQJTBMT-ZDUSSCGKSA-N -1 0 370.383 -0.149 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cn1C ZINC000565598686 485186985 /nfs/dbraw/zinc/18/69/85/485186985.db2.gz VJOQLNMZVZEGCQ-MWLCHTKSSA-N -1 0 358.420 -0.424 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(Nc3nc(C(=O)[O-])co3)CC2)cn1 ZINC000565604680 484488285 /nfs/dbraw/zinc/48/82/85/484488285.db2.gz VWSSLWXRGGMIOU-UHFFFAOYSA-N -1 0 355.376 0.372 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCn2cncc2C1)Nc1c[nH]cn1 ZINC000565609625 485188860 /nfs/dbraw/zinc/18/88/60/485188860.db2.gz PPHPCTZMDWVJEK-UHFFFAOYSA-N -1 0 374.448 -0.416 20 0 FBADRM COC(=O)c1cncc(S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c1 ZINC000565627442 485188519 /nfs/dbraw/zinc/18/85/19/485188519.db2.gz STYRLQRFSUSNEK-SECBINFHSA-N -1 0 373.387 -0.532 20 0 FBADRM COC(=O)c1cncc(S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c1 ZINC000565627452 485188643 /nfs/dbraw/zinc/18/86/43/485188643.db2.gz STYRLQRFSUSNEK-VIFPVBQESA-N -1 0 373.387 -0.532 20 0 FBADRM CS(=O)(=O)NCCNC(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000565635208 485188701 /nfs/dbraw/zinc/18/87/01/485188701.db2.gz YGXYDMGVLNAHCO-GFCCVEGCSA-N -1 0 357.388 -0.404 20 0 FBADRM CS(=O)(=O)NCCNC(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000565635209 485188301 /nfs/dbraw/zinc/18/83/01/485188301.db2.gz YGXYDMGVLNAHCO-LBPRGKRZSA-N -1 0 357.388 -0.404 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C(F)(F)C2)cn1 ZINC000565649338 485189559 /nfs/dbraw/zinc/18/95/59/485189559.db2.gz SGQGHRCTFLWQRK-SECBINFHSA-N -1 0 367.330 -0.213 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C(F)(F)C2)cn1 ZINC000565649371 485189952 /nfs/dbraw/zinc/18/99/52/485189952.db2.gz SGQGHRCTFLWQRK-VIFPVBQESA-N -1 0 367.330 -0.213 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1 ZINC000565649503 485189917 /nfs/dbraw/zinc/18/99/17/485189917.db2.gz QURJIWOXHRAHBF-NEPJUHHUSA-N -1 0 354.407 -0.380 20 0 FBADRM CCNC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC000565649508 485189473 /nfs/dbraw/zinc/18/94/73/485189473.db2.gz QURJIWOXHRAHBF-NWDGAFQWSA-N -1 0 354.407 -0.380 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC000565649511 485189984 /nfs/dbraw/zinc/18/99/84/485189984.db2.gz QURJIWOXHRAHBF-RYUDHWBXSA-N -1 0 354.407 -0.380 20 0 FBADRM CCNC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1 ZINC000565649516 485190023 /nfs/dbraw/zinc/19/00/23/485190023.db2.gz QURJIWOXHRAHBF-VXGBXAGGSA-N -1 0 354.407 -0.380 20 0 FBADRM C[C@H](NC(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1)C(=O)N(C)C ZINC000565657850 485189347 /nfs/dbraw/zinc/18/93/47/485189347.db2.gz DFYKVHPJNSABDD-YUTCNCBUSA-N -1 0 361.398 -0.094 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCN(CCO)CC1 ZINC000565671385 485190963 /nfs/dbraw/zinc/19/09/63/485190963.db2.gz PSXUEAVYEKGJQQ-UHFFFAOYSA-N -1 0 363.386 -0.620 20 0 FBADRM CC(C)(CC(=O)[O-])NC(=O)CC(C)(C)NS(=O)(=O)N1CCOCC1 ZINC000565696289 485190552 /nfs/dbraw/zinc/19/05/52/485190552.db2.gz QJTZJABUDVLHEZ-UHFFFAOYSA-N -1 0 365.452 -0.309 20 0 FBADRM CCN(C1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1)S(C)(=O)=O ZINC000565716331 485192377 /nfs/dbraw/zinc/19/23/77/485192377.db2.gz FHCGAOZNOMBMOJ-UHFFFAOYSA-N -1 0 363.436 -0.760 20 0 FBADRM COc1ccc(NC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)cc1OC ZINC000565719827 485191854 /nfs/dbraw/zinc/19/18/54/485191854.db2.gz MXINKJGHSKALSX-UHFFFAOYSA-N -1 0 351.359 -0.129 20 0 FBADRM COC(=O)[C@](C)(O)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000565747201 485193053 /nfs/dbraw/zinc/19/30/53/485193053.db2.gz BWGKSTCVTIQWLW-CYBMUJFWSA-N -1 0 366.342 -0.717 20 0 FBADRM COC(=O)[C@@](C)(O)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000565747205 485193255 /nfs/dbraw/zinc/19/32/55/485193255.db2.gz BWGKSTCVTIQWLW-ZDUSSCGKSA-N -1 0 366.342 -0.717 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])CCCC1 ZINC000565748428 485193139 /nfs/dbraw/zinc/19/31/39/485193139.db2.gz OFWBCISYHLPYDM-VIFPVBQESA-N -1 0 350.393 -0.642 20 0 FBADRM C[C@H](NC(=O)N[C@]1(C(=O)[O-])CCOC1)c1cccc(S(N)(=O)=O)c1 ZINC000565752513 485193519 /nfs/dbraw/zinc/19/35/19/485193519.db2.gz NUSNSAHOSYLDAB-LKFCYVNXSA-N -1 0 357.388 -0.062 20 0 FBADRM C[C@@H](NC(=O)N[C@@]1(C(=O)[O-])CCOC1)c1cccc(S(N)(=O)=O)c1 ZINC000565752514 485193371 /nfs/dbraw/zinc/19/33/71/485193371.db2.gz NUSNSAHOSYLDAB-OTYXRUKQSA-N -1 0 357.388 -0.062 20 0 FBADRM C[C@H](NC(=O)N[C@@]1(C(=O)[O-])CCOC1)c1cccc(S(N)(=O)=O)c1 ZINC000565752515 485192893 /nfs/dbraw/zinc/19/28/93/485192893.db2.gz NUSNSAHOSYLDAB-XPTSAGLGSA-N -1 0 357.388 -0.062 20 0 FBADRM C[C@@H](NC(=O)N[C@]1(C(=O)[O-])CCOC1)c1cccc(S(N)(=O)=O)c1 ZINC000565752516 485193106 /nfs/dbraw/zinc/19/31/06/485193106.db2.gz NUSNSAHOSYLDAB-YMTOWFKASA-N -1 0 357.388 -0.062 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])CCC1 ZINC000565767392 485193342 /nfs/dbraw/zinc/19/33/42/485193342.db2.gz ASECQFVDYVFQIX-AOUSDQRYSA-N -1 0 353.418 -0.823 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])CCC1 ZINC000565767394 485193556 /nfs/dbraw/zinc/19/35/56/485193556.db2.gz ASECQFVDYVFQIX-BTKVJGODSA-N -1 0 353.418 -0.823 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])CCC1 ZINC000565767395 485193391 /nfs/dbraw/zinc/19/33/91/485193391.db2.gz ASECQFVDYVFQIX-FPVGNUTFSA-N -1 0 353.418 -0.823 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])CCC1 ZINC000565767396 485193363 /nfs/dbraw/zinc/19/33/63/485193363.db2.gz ASECQFVDYVFQIX-JLTPVHFHSA-N -1 0 353.418 -0.823 20 0 FBADRM C[C@H](CN(C)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000565774624 485192988 /nfs/dbraw/zinc/19/29/88/485192988.db2.gz IEFQRZVNMYXQAI-SECBINFHSA-N -1 0 351.363 -0.997 20 0 FBADRM C[C@@H](CN(C)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000565774625 485193194 /nfs/dbraw/zinc/19/31/94/485193194.db2.gz IEFQRZVNMYXQAI-VIFPVBQESA-N -1 0 351.363 -0.997 20 0 FBADRM CCOc1ccc(S(=O)(=O)N[C@@]2(C(N)=O)CCOC2)cc1C(=O)[O-] ZINC000565784178 485193560 /nfs/dbraw/zinc/19/35/60/485193560.db2.gz VIFYCCPRUMORBS-AWEZNQCLSA-N -1 0 358.372 -0.294 20 0 FBADRM CCOc1ccc(S(=O)(=O)N[C@]2(C(N)=O)CCOC2)cc1C(=O)[O-] ZINC000565784179 485192841 /nfs/dbraw/zinc/19/28/41/485192841.db2.gz VIFYCCPRUMORBS-CQSZACIVSA-N -1 0 358.372 -0.294 20 0 FBADRM C[C@@H]1OCC[C@H]1N(CCO)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000565785675 485193020 /nfs/dbraw/zinc/19/30/20/485193020.db2.gz BRSNUINOXWUTEI-GZMMTYOYSA-N -1 0 370.387 -0.404 20 0 FBADRM C[C@H]1OCC[C@@H]1N(CCO)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000565785678 485193289 /nfs/dbraw/zinc/19/32/89/485193289.db2.gz BRSNUINOXWUTEI-KCJUWKMLSA-N -1 0 370.387 -0.404 20 0 FBADRM C[C@@H]1OCC[C@@H]1N(CCO)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000565785679 485192810 /nfs/dbraw/zinc/19/28/10/485192810.db2.gz BRSNUINOXWUTEI-KWQFWETISA-N -1 0 370.387 -0.404 20 0 FBADRM C[C@H]1OCC[C@H]1N(CCO)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000565785680 485192956 /nfs/dbraw/zinc/19/29/56/485192956.db2.gz BRSNUINOXWUTEI-LDYMZIIASA-N -1 0 370.387 -0.404 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H](Cc1c[nH]c2ncccc12)C(=O)[O-] ZINC000565836971 485195472 /nfs/dbraw/zinc/19/54/72/485195472.db2.gz IMZJAIXMJMJRDD-BXKDBHETSA-N -1 0 368.415 -0.045 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](Cc1c[nH]c2ncccc12)C(=O)[O-] ZINC000565836974 485195555 /nfs/dbraw/zinc/19/55/55/485195555.db2.gz IMZJAIXMJMJRDD-CABZTGNLSA-N -1 0 368.415 -0.045 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@H](Cc1c[nH]c2ncccc12)C(=O)[O-] ZINC000565836975 485195449 /nfs/dbraw/zinc/19/54/49/485195449.db2.gz IMZJAIXMJMJRDD-JOYOIKCWSA-N -1 0 368.415 -0.045 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](Cc1c[nH]c2ncccc12)C(=O)[O-] ZINC000565836976 485195203 /nfs/dbraw/zinc/19/52/03/485195203.db2.gz IMZJAIXMJMJRDD-SKDRFNHKSA-N -1 0 368.415 -0.045 20 0 FBADRM O=C([O-])c1cn(CCNc2ccc(S(=O)(=O)NCC3CC3)cn2)nn1 ZINC000565837078 484368748 /nfs/dbraw/zinc/36/87/48/484368748.db2.gz XTSVUUPLPDCCCU-UHFFFAOYSA-N -1 0 366.403 0.172 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C(=O)[O-] ZINC000565892278 485196155 /nfs/dbraw/zinc/19/61/55/485196155.db2.gz BMFKRYVBTPMJOV-NRPADANISA-N -1 0 361.376 -0.163 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C(=O)[O-] ZINC000565892285 485196565 /nfs/dbraw/zinc/19/65/65/485196565.db2.gz BMFKRYVBTPMJOV-OYNCUSHFSA-N -1 0 361.376 -0.163 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C(=O)[O-] ZINC000565892286 485196466 /nfs/dbraw/zinc/19/64/66/485196466.db2.gz BMFKRYVBTPMJOV-QXFUBDJGSA-N -1 0 361.376 -0.163 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1C[C@H](C)O[C@H](C)[C@H]1C(=O)[O-] ZINC000565892288 485196312 /nfs/dbraw/zinc/19/63/12/485196312.db2.gz BMFKRYVBTPMJOV-XKSSXDPKSA-N -1 0 361.376 -0.163 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)NC[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000565909295 485196915 /nfs/dbraw/zinc/19/69/15/485196915.db2.gz FIWWUQBZNIWVIH-LLVKDONJSA-N -1 0 361.420 -0.218 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)NC[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000565909314 485197650 /nfs/dbraw/zinc/19/76/50/485197650.db2.gz FIWWUQBZNIWVIH-NSHDSACASA-N -1 0 361.420 -0.218 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])cc2C1=O ZINC000565930111 485198187 /nfs/dbraw/zinc/19/81/87/485198187.db2.gz ZGOILMVAXBNLRZ-HNNXBMFYSA-N -1 0 370.383 -0.336 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])cc2C1=O ZINC000565930112 485198583 /nfs/dbraw/zinc/19/85/83/485198583.db2.gz ZGOILMVAXBNLRZ-OAHLLOKOSA-N -1 0 370.383 -0.336 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2scnc2C(=O)[O-])CCN1S(C)(=O)=O ZINC000565948769 485198637 /nfs/dbraw/zinc/19/86/37/485198637.db2.gz HKLJVLONRFAALI-ZETCQYMHSA-N -1 0 369.446 -0.504 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000565948918 485198411 /nfs/dbraw/zinc/19/84/11/485198411.db2.gz HLCRBQOLNPDZPC-LBPRGKRZSA-N -1 0 368.477 -0.216 20 0 FBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)O1 ZINC000565950550 485198690 /nfs/dbraw/zinc/19/86/90/485198690.db2.gz HMMSMRWTEHPCQU-ADEWGFFLSA-N -1 0 355.368 -0.030 20 0 FBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)O1 ZINC000565950551 485198240 /nfs/dbraw/zinc/19/82/40/485198240.db2.gz HMMSMRWTEHPCQU-ZMLRMANQSA-N -1 0 355.368 -0.030 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)NCc1nc(COc2ccccc2)n[nH]1 ZINC000565951778 485198191 /nfs/dbraw/zinc/19/81/91/485198191.db2.gz VXTXXFWUWUEFGU-UHFFFAOYSA-N -1 0 361.358 -0.019 20 0 FBADRM COCCNC(=O)CNS(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000565953173 485198266 /nfs/dbraw/zinc/19/82/66/485198266.db2.gz BGXMYSBUUQJUIH-UHFFFAOYSA-N -1 0 372.399 -0.225 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)cc1F ZINC000565953231 485198384 /nfs/dbraw/zinc/19/83/84/485198384.db2.gz CHIQWPPLODVTKS-UHFFFAOYSA-N -1 0 367.376 -0.292 20 0 FBADRM COc1ccc(NC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)c(OC)c1 ZINC000565955307 485198710 /nfs/dbraw/zinc/19/87/10/485198710.db2.gz YLEKAWNTLKWIIT-UHFFFAOYSA-N -1 0 351.359 -0.129 20 0 FBADRM O=C(CNS(=O)(=O)c1cccs1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000565961476 485199901 /nfs/dbraw/zinc/19/99/01/485199901.db2.gz NVMPOBSNZFFIES-SECBINFHSA-N -1 0 356.433 -0.054 20 0 FBADRM O=C(CNS(=O)(=O)c1cccs1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000565961490 485199254 /nfs/dbraw/zinc/19/92/54/485199254.db2.gz NVMPOBSNZFFIES-VIFPVBQESA-N -1 0 356.433 -0.054 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C[C@@]12CCOC2 ZINC000565988425 485200957 /nfs/dbraw/zinc/20/09/57/485200957.db2.gz LXMIUSMKSQRMRC-CORIIIEPSA-N -1 0 371.415 -0.044 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C[C@@]12CCOC2 ZINC000565988426 485200996 /nfs/dbraw/zinc/20/09/96/485200996.db2.gz LXMIUSMKSQRMRC-OSAQELSMSA-N -1 0 371.415 -0.044 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C[C@]12CCOC2 ZINC000565988427 485201060 /nfs/dbraw/zinc/20/10/60/485201060.db2.gz LXMIUSMKSQRMRC-WHOFXGATSA-N -1 0 371.415 -0.044 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C[C@]12CCOC2 ZINC000565988428 485200727 /nfs/dbraw/zinc/20/07/27/485200727.db2.gz LXMIUSMKSQRMRC-ZLDLUXBVSA-N -1 0 371.415 -0.044 20 0 FBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000566003208 485200366 /nfs/dbraw/zinc/20/03/66/485200366.db2.gz YWCKEDJDEYZYNM-AWEZNQCLSA-N -1 0 363.436 -0.856 20 0 FBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000566003209 485200747 /nfs/dbraw/zinc/20/07/47/485200747.db2.gz YWCKEDJDEYZYNM-CQSZACIVSA-N -1 0 363.436 -0.856 20 0 FBADRM Cn1nccc1[C@@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-] ZINC000566005139 485200829 /nfs/dbraw/zinc/20/08/29/485200829.db2.gz UALKZWPIQPJSCI-CYBMUJFWSA-N -1 0 370.431 -0.134 20 0 FBADRM Cn1nccc1[C@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-] ZINC000566005140 485201032 /nfs/dbraw/zinc/20/10/32/485201032.db2.gz UALKZWPIQPJSCI-ZDUSSCGKSA-N -1 0 370.431 -0.134 20 0 FBADRM C[S@@](=O)CCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000566012961 659987430 /nfs/dbraw/zinc/98/74/30/659987430.db2.gz AAHQVMAPVODTHM-JOCHJYFZSA-N -1 0 362.429 -0.452 20 0 FBADRM C[S@](=O)CCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000566012962 659987354 /nfs/dbraw/zinc/98/73/54/659987354.db2.gz AAHQVMAPVODTHM-QFIPXVFZSA-N -1 0 362.429 -0.452 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(F)c1 ZINC000566044116 485202190 /nfs/dbraw/zinc/20/21/90/485202190.db2.gz HWXVXGKVIYNUON-JTQLQIEISA-N -1 0 367.376 -0.293 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(F)c1 ZINC000566044117 485202127 /nfs/dbraw/zinc/20/21/27/485202127.db2.gz HWXVXGKVIYNUON-SNVBAGLBSA-N -1 0 367.376 -0.293 20 0 FBADRM C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000566066581 485203536 /nfs/dbraw/zinc/20/35/36/485203536.db2.gz ZQGSPHNGGJNXNF-CYBMUJFWSA-N -1 0 368.477 -0.073 20 0 FBADRM C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000566066582 485203492 /nfs/dbraw/zinc/20/34/92/485203492.db2.gz ZQGSPHNGGJNXNF-ZDUSSCGKSA-N -1 0 368.477 -0.073 20 0 FBADRM COC(=O)Cn1ncc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1C ZINC000566068510 485203419 /nfs/dbraw/zinc/20/34/19/485203419.db2.gz NHGPRJWUJIEKTQ-GXSJLCMTSA-N -1 0 366.374 -0.128 20 0 FBADRM COC(=O)Cn1ncc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1C ZINC000566068511 485202744 /nfs/dbraw/zinc/20/27/44/485202744.db2.gz NHGPRJWUJIEKTQ-KOLCDFICSA-N -1 0 366.374 -0.128 20 0 FBADRM COC(=O)Cn1ncc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1C ZINC000566068512 485203208 /nfs/dbraw/zinc/20/32/08/485203208.db2.gz NHGPRJWUJIEKTQ-MWLCHTKSSA-N -1 0 366.374 -0.128 20 0 FBADRM COC(=O)Cn1ncc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1C ZINC000566068513 485203675 /nfs/dbraw/zinc/20/36/75/485203675.db2.gz NHGPRJWUJIEKTQ-ONGXEEELSA-N -1 0 366.374 -0.128 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])ccc1OC ZINC000566078178 485203527 /nfs/dbraw/zinc/20/35/27/485203527.db2.gz GZTSRCMWQBRDCA-UHFFFAOYSA-N -1 0 374.371 -0.649 20 0 FBADRM CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1=O ZINC000566087246 485202629 /nfs/dbraw/zinc/20/26/29/485202629.db2.gz MDFXUFMXPSXIMI-GFCCVEGCSA-N -1 0 361.354 -0.096 20 0 FBADRM CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1=O ZINC000566087247 485203381 /nfs/dbraw/zinc/20/33/81/485203381.db2.gz MDFXUFMXPSXIMI-LBPRGKRZSA-N -1 0 361.354 -0.096 20 0 FBADRM CN(C)C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1 ZINC000566089764 485202751 /nfs/dbraw/zinc/20/27/51/485202751.db2.gz VEEPOTYJATVPFC-YVEFUNNKSA-N -1 0 366.418 -0.475 20 0 FBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000566104385 485204636 /nfs/dbraw/zinc/20/46/36/485204636.db2.gz UCFYNBSFBMZBMB-UHFFFAOYSA-N -1 0 365.452 -0.562 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)NCC1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000566104426 485204044 /nfs/dbraw/zinc/20/40/44/485204044.db2.gz ZHVSEPDQJOIHHB-UHFFFAOYSA-N -1 0 362.448 -0.065 20 0 FBADRM Cn1nccc1[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000566118967 485204686 /nfs/dbraw/zinc/20/46/86/485204686.db2.gz MDJJGTIEIDKDKQ-LLVKDONJSA-N -1 0 374.400 -0.677 20 0 FBADRM Cn1nccc1[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000566118968 485204339 /nfs/dbraw/zinc/20/43/39/485204339.db2.gz MDJJGTIEIDKDKQ-NSHDSACASA-N -1 0 374.400 -0.677 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000566172198 485206423 /nfs/dbraw/zinc/20/64/23/485206423.db2.gz ARTXWGXBHMXPDB-SECBINFHSA-N -1 0 366.417 -0.154 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000566172202 485206329 /nfs/dbraw/zinc/20/63/29/485206329.db2.gz ARTXWGXBHMXPDB-VIFPVBQESA-N -1 0 366.417 -0.154 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCOCC3(CCOCC3)C2)cn1 ZINC000566172285 483769679 /nfs/dbraw/zinc/76/96/79/483769679.db2.gz CDFUUQCMGDIMSQ-UHFFFAOYSA-N -1 0 359.404 -0.215 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000566172523 485206213 /nfs/dbraw/zinc/20/62/13/485206213.db2.gz DLCUECBUHMVVSF-LLVKDONJSA-N -1 0 357.450 -0.293 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000566172533 485206118 /nfs/dbraw/zinc/20/61/18/485206118.db2.gz DLCUECBUHMVVSF-NSHDSACASA-N -1 0 357.450 -0.293 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N(CC(=O)[O-])C2CC2)CC1 ZINC000566172779 485206176 /nfs/dbraw/zinc/20/61/76/485206176.db2.gz GCOHCMGPJNWPDH-UHFFFAOYSA-N -1 0 354.450 -0.463 20 0 FBADRM CC(C)N(CC(=O)[O-])S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000566173369 483769853 /nfs/dbraw/zinc/76/98/53/483769853.db2.gz JDTIRCNXLMIKJO-UHFFFAOYSA-N -1 0 356.466 -0.217 20 0 FBADRM CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000566174408 483769950 /nfs/dbraw/zinc/76/99/50/483769950.db2.gz QFRPLJWJGZNALB-GHMZBOCLSA-N -1 0 369.465 -0.959 20 0 FBADRM CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000566174410 483769587 /nfs/dbraw/zinc/76/95/87/483769587.db2.gz QFRPLJWJGZNALB-MNOVXSKESA-N -1 0 369.465 -0.959 20 0 FBADRM CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000566174411 483770022 /nfs/dbraw/zinc/77/00/22/483770022.db2.gz QFRPLJWJGZNALB-QWRGUYRKSA-N -1 0 369.465 -0.959 20 0 FBADRM CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000566174412 483769684 /nfs/dbraw/zinc/76/96/84/483769684.db2.gz QFRPLJWJGZNALB-WDEREUQCSA-N -1 0 369.465 -0.959 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000566174537 485206476 /nfs/dbraw/zinc/20/64/76/485206476.db2.gz TXOGHHOIKFYKFD-JTQLQIEISA-N -1 0 374.506 -0.510 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC000566174540 485206676 /nfs/dbraw/zinc/20/66/76/485206676.db2.gz TXOGHHOIKFYKFD-SNVBAGLBSA-N -1 0 374.506 -0.510 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2cncc(C(=O)[O-])c2)CCN1S(C)(=O)=O ZINC000566175315 485206747 /nfs/dbraw/zinc/20/67/47/485206747.db2.gz ZKRUVFRSQVEZGQ-VIFPVBQESA-N -1 0 363.417 -0.566 20 0 FBADRM CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000566175348 485206368 /nfs/dbraw/zinc/20/63/68/485206368.db2.gz ZTSKHNXMTLXTKY-SECBINFHSA-N -1 0 352.390 -0.320 20 0 FBADRM CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000566175351 485206814 /nfs/dbraw/zinc/20/68/14/485206814.db2.gz ZTSKHNXMTLXTKY-VIFPVBQESA-N -1 0 352.390 -0.320 20 0 FBADRM CS(=O)(=O)CC1(CNS(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC000566175353 485206710 /nfs/dbraw/zinc/20/67/10/485206710.db2.gz ZYNQNDZFMWXMLN-UHFFFAOYSA-N -1 0 354.431 -0.056 20 0 FBADRM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000566176077 485206394 /nfs/dbraw/zinc/20/63/94/485206394.db2.gz FZPDTDUEOWVZMG-GHMZBOCLSA-N -1 0 356.466 -0.217 20 0 FBADRM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000566176079 485206284 /nfs/dbraw/zinc/20/62/84/485206284.db2.gz FZPDTDUEOWVZMG-MNOVXSKESA-N -1 0 356.466 -0.217 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000566176080 485206905 /nfs/dbraw/zinc/20/69/05/485206905.db2.gz FZPDTDUEOWVZMG-QWRGUYRKSA-N -1 0 356.466 -0.217 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000566176081 485206501 /nfs/dbraw/zinc/20/65/01/485206501.db2.gz FZPDTDUEOWVZMG-WDEREUQCSA-N -1 0 356.466 -0.217 20 0 FBADRM COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)NCCNS(C)(=O)=O ZINC000566177007 483770142 /nfs/dbraw/zinc/77/01/42/483770142.db2.gz OEAXTGJMVROIAN-UHFFFAOYSA-N -1 0 370.380 -0.640 20 0 FBADRM CCN([C@@H](C)CS(=O)(=O)CC)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000566177204 485206102 /nfs/dbraw/zinc/20/61/02/485206102.db2.gz RWMZXNUGBNYFCL-JTQLQIEISA-N -1 0 367.449 -0.199 20 0 FBADRM CCN([C@H](C)CS(=O)(=O)CC)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000566177208 485206277 /nfs/dbraw/zinc/20/62/77/485206277.db2.gz RWMZXNUGBNYFCL-SNVBAGLBSA-N -1 0 367.449 -0.199 20 0 FBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000566177705 485206243 /nfs/dbraw/zinc/20/62/43/485206243.db2.gz SHRVAIKXPRVKJR-SSDOTTSWSA-N -1 0 369.325 -0.094 20 0 FBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000566177712 485206591 /nfs/dbraw/zinc/20/65/91/485206591.db2.gz SHRVAIKXPRVKJR-ZETCQYMHSA-N -1 0 369.325 -0.094 20 0 FBADRM Cc1cccc(OC[C@H](O)CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000566178980 485206809 /nfs/dbraw/zinc/20/68/09/485206809.db2.gz HMIYJLCSAAEFGG-GFCCVEGCSA-N -1 0 369.399 -0.006 20 0 FBADRM Cc1cccc(OC[C@@H](O)CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000566179118 485206804 /nfs/dbraw/zinc/20/68/04/485206804.db2.gz HMIYJLCSAAEFGG-LBPRGKRZSA-N -1 0 369.399 -0.006 20 0 FBADRM CCN(CCCNS(=O)(=O)c1cncc(C(=O)[O-])c1)S(C)(=O)=O ZINC000566180368 485206091 /nfs/dbraw/zinc/20/60/91/485206091.db2.gz GHAZBDLUKUXPFR-UHFFFAOYSA-N -1 0 365.433 -0.270 20 0 FBADRM CCS(=O)(=O)N(C)CCCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000566180633 485206836 /nfs/dbraw/zinc/20/68/36/485206836.db2.gz PXAPZVXAFTYXDL-JTQLQIEISA-N -1 0 357.454 -0.959 20 0 FBADRM CCS(=O)(=O)N(C)CCCNS(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000566180634 485206203 /nfs/dbraw/zinc/20/62/03/485206203.db2.gz PXAPZVXAFTYXDL-SNVBAGLBSA-N -1 0 357.454 -0.959 20 0 FBADRM Cc1ncc(S(=O)(=O)NCCN2CCCS2(=O)=O)cc1C(=O)[O-] ZINC000566180984 485206109 /nfs/dbraw/zinc/20/61/09/485206109.db2.gz ULXCXWGBXQCNMD-UHFFFAOYSA-N -1 0 363.417 -0.598 20 0 FBADRM C[C@H]1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C[C@H]1C(=O)[O-] ZINC000566181225 485206871 /nfs/dbraw/zinc/20/68/71/485206871.db2.gz IPBDZAXPZAHNDE-CMPLNLGQSA-N -1 0 374.419 -0.154 20 0 FBADRM C[C@H]1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C[C@@H]1C(=O)[O-] ZINC000566181227 485206528 /nfs/dbraw/zinc/20/65/28/485206528.db2.gz IPBDZAXPZAHNDE-JQWIXIFHSA-N -1 0 374.419 -0.154 20 0 FBADRM C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C[C@@H]1C(=O)[O-] ZINC000566181228 485206574 /nfs/dbraw/zinc/20/65/74/485206574.db2.gz IPBDZAXPZAHNDE-PWSUYJOCSA-N -1 0 374.419 -0.154 20 0 FBADRM C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C[C@H]1C(=O)[O-] ZINC000566181229 485206219 /nfs/dbraw/zinc/20/62/19/485206219.db2.gz IPBDZAXPZAHNDE-ZYHUDNBSSA-N -1 0 374.419 -0.154 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000566181703 485206819 /nfs/dbraw/zinc/20/68/19/485206819.db2.gz NEOQMSAVRUHKEK-GXTWGEPZSA-N -1 0 368.434 -0.181 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000566181707 485206544 /nfs/dbraw/zinc/20/65/44/485206544.db2.gz NEOQMSAVRUHKEK-JSGCOSHPSA-N -1 0 368.434 -0.181 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000566181709 485206581 /nfs/dbraw/zinc/20/65/81/485206581.db2.gz NEOQMSAVRUHKEK-OCCSQVGLSA-N -1 0 368.434 -0.181 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000566181711 485206784 /nfs/dbraw/zinc/20/67/84/485206784.db2.gz NEOQMSAVRUHKEK-TZMCWYRMSA-N -1 0 368.434 -0.181 20 0 FBADRM C[C@@H](CCC(=O)[O-])NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000566182142 485206935 /nfs/dbraw/zinc/20/69/35/485206935.db2.gz BOCVTWHFUOHHFW-JTQLQIEISA-N -1 0 356.466 -0.169 20 0 FBADRM C[C@H](CCC(=O)[O-])NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000566182143 485206229 /nfs/dbraw/zinc/20/62/29/485206229.db2.gz BOCVTWHFUOHHFW-SNVBAGLBSA-N -1 0 356.466 -0.169 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000566182798 485206917 /nfs/dbraw/zinc/20/69/17/485206917.db2.gz KXRAXRJRBVBKOC-GFCCVEGCSA-N -1 0 356.466 -0.312 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000566182800 483770803 /nfs/dbraw/zinc/77/08/03/483770803.db2.gz KXRAXRJRBVBKOC-LBPRGKRZSA-N -1 0 356.466 -0.312 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2C[C@H](OC)C[C@@H]2CC(=O)[O-])cn1C ZINC000566182930 485206391 /nfs/dbraw/zinc/20/63/91/485206391.db2.gz LUEVQQKARUEXPY-NXEZZACHSA-N -1 0 359.404 -0.363 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2C[C@@H](OC)C[C@H]2CC(=O)[O-])cn1C ZINC000566182931 485206866 /nfs/dbraw/zinc/20/68/66/485206866.db2.gz LUEVQQKARUEXPY-UWVGGRQHSA-N -1 0 359.404 -0.363 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2C[C@H](OC)C[C@H]2CC(=O)[O-])cn1C ZINC000566182932 485206707 /nfs/dbraw/zinc/20/67/07/485206707.db2.gz LUEVQQKARUEXPY-VHSXEESVSA-N -1 0 359.404 -0.363 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2C[C@@H](OC)C[C@@H]2CC(=O)[O-])cn1C ZINC000566182933 485206124 /nfs/dbraw/zinc/20/61/24/485206124.db2.gz LUEVQQKARUEXPY-ZJUUUORDSA-N -1 0 359.404 -0.363 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000566183906 485206724 /nfs/dbraw/zinc/20/67/24/485206724.db2.gz KDCXNDKBPHDUBV-GFCCVEGCSA-N -1 0 368.477 -0.073 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000566183921 483771327 /nfs/dbraw/zinc/77/13/27/483771327.db2.gz FDEVAQPHRQVBBB-QJPTWQEYSA-N -1 0 368.477 -0.217 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000566183922 483771422 /nfs/dbraw/zinc/77/14/22/483771422.db2.gz FDEVAQPHRQVBBB-SDDRHHMPSA-N -1 0 368.477 -0.217 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000566183923 483771591 /nfs/dbraw/zinc/77/15/91/483771591.db2.gz FDEVAQPHRQVBBB-SRVKXCTJSA-N -1 0 368.477 -0.217 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000566183924 483771419 /nfs/dbraw/zinc/77/14/19/483771419.db2.gz FDEVAQPHRQVBBB-TUAOUCFPSA-N -1 0 368.477 -0.217 20 0 FBADRM O=C([O-])[C@@H](CF)NS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000566184655 485206799 /nfs/dbraw/zinc/20/67/99/485206799.db2.gz RZVFVZMASSBVKB-LLVKDONJSA-N -1 0 366.392 -0.073 20 0 FBADRM O=C([O-])[C@H](CF)NS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000566184656 485206768 /nfs/dbraw/zinc/20/67/68/485206768.db2.gz RZVFVZMASSBVKB-NSHDSACASA-N -1 0 366.392 -0.073 20 0 FBADRM COc1cc(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)ccc1OCC(N)=O ZINC000566211518 485209068 /nfs/dbraw/zinc/20/90/68/485209068.db2.gz NDQPYOKJFZSUSN-NWDGAFQWSA-N -1 0 352.343 -0.192 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000566223427 485208526 /nfs/dbraw/zinc/20/85/26/485208526.db2.gz CEEFRXKLGUUPBR-SECBINFHSA-N -1 0 358.372 -0.269 20 0 FBADRM COC(=O)c1c(C)[nH]c(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1C ZINC000566223910 485208870 /nfs/dbraw/zinc/20/88/70/485208870.db2.gz OJOPYBZTUJISGL-SECBINFHSA-N -1 0 358.372 -0.258 20 0 FBADRM COC(=O)c1c(C)[nH]c(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1C ZINC000566223911 485209123 /nfs/dbraw/zinc/20/91/23/485209123.db2.gz OJOPYBZTUJISGL-VIFPVBQESA-N -1 0 358.372 -0.258 20 0 FBADRM O=C([O-])c1cnc(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cn1 ZINC000566224770 485208519 /nfs/dbraw/zinc/20/85/19/485208519.db2.gz CEYXJRALMSBCTK-UHFFFAOYSA-N -1 0 366.359 -0.955 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000566225159 485208903 /nfs/dbraw/zinc/20/89/03/485208903.db2.gz WTRSUHYIBADQJL-LLVKDONJSA-N -1 0 358.420 -0.198 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000566225160 485208758 /nfs/dbraw/zinc/20/87/58/485208758.db2.gz WTRSUHYIBADQJL-NSHDSACASA-N -1 0 358.420 -0.198 20 0 FBADRM CC[C@@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)C(=O)[O-] ZINC000566225163 484439773 /nfs/dbraw/zinc/43/97/73/484439773.db2.gz WYKCIKDHKYABFG-SECBINFHSA-N -1 0 363.374 -0.030 20 0 FBADRM COc1ccc(NS(C)(=O)=O)cc1NC(=O)C(=O)NCCCC(=O)[O-] ZINC000566227820 485209086 /nfs/dbraw/zinc/20/90/86/485209086.db2.gz NNBUGDAJSVQXHW-UHFFFAOYSA-N -1 0 373.387 -0.014 20 0 FBADRM CNC(=O)NC1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000566233438 485208702 /nfs/dbraw/zinc/20/87/02/485208702.db2.gz JUIJXCADVVXHOW-CMPLNLGQSA-N -1 0 354.407 -0.524 20 0 FBADRM CNC(=O)NC1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000566233439 485208651 /nfs/dbraw/zinc/20/86/51/485208651.db2.gz JUIJXCADVVXHOW-JQWIXIFHSA-N -1 0 354.407 -0.524 20 0 FBADRM CNC(=O)NC1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000566233440 485209235 /nfs/dbraw/zinc/20/92/35/485209235.db2.gz JUIJXCADVVXHOW-PWSUYJOCSA-N -1 0 354.407 -0.524 20 0 FBADRM CNC(=O)NC1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000566233441 485209166 /nfs/dbraw/zinc/20/91/66/485209166.db2.gz JUIJXCADVVXHOW-ZYHUDNBSSA-N -1 0 354.407 -0.524 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1=O ZINC000566233562 485208920 /nfs/dbraw/zinc/20/89/20/485208920.db2.gz ADNYUFZGDPBMJU-NEPJUHHUSA-N -1 0 359.338 -0.266 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](NC(=O)N(C)C)C2)C[C@@H]1C(=O)[O-] ZINC000566233693 485208675 /nfs/dbraw/zinc/20/86/75/485208675.db2.gz FZRGPMYSRVSZLW-AGIUHOORSA-N -1 0 368.434 -0.182 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](NC(=O)N(C)C)C2)C[C@H]1C(=O)[O-] ZINC000566233695 485209160 /nfs/dbraw/zinc/20/91/60/485209160.db2.gz FZRGPMYSRVSZLW-FRRDWIJNSA-N -1 0 368.434 -0.182 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)C[C@H]1C(=O)[O-] ZINC000566233824 485209219 /nfs/dbraw/zinc/20/92/19/485209219.db2.gz FZRGPMYSRVSZLW-JHJVBQTASA-N -1 0 368.434 -0.182 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)C[C@@H]1C(=O)[O-] ZINC000566233825 485209047 /nfs/dbraw/zinc/20/90/47/485209047.db2.gz FZRGPMYSRVSZLW-UPJWGTAASA-N -1 0 368.434 -0.182 20 0 FBADRM CCS(=O)(=O)C1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000566233836 485209184 /nfs/dbraw/zinc/20/91/84/485209184.db2.gz GEEULQLYNSSTKQ-AAEUAGOBSA-N -1 0 374.459 -0.019 20 0 FBADRM CCS(=O)(=O)C1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000566233837 485208741 /nfs/dbraw/zinc/20/87/41/485208741.db2.gz GEEULQLYNSSTKQ-DGCLKSJQSA-N -1 0 374.459 -0.019 20 0 FBADRM CCS(=O)(=O)C1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000566233838 485209811 /nfs/dbraw/zinc/20/98/11/485209811.db2.gz GEEULQLYNSSTKQ-WCQYABFASA-N -1 0 374.459 -0.019 20 0 FBADRM CCS(=O)(=O)C1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000566233839 485209619 /nfs/dbraw/zinc/20/96/19/485209619.db2.gz GEEULQLYNSSTKQ-YPMHNXCESA-N -1 0 374.459 -0.019 20 0 FBADRM O=C([O-])CN(C(=O)CCNS(=O)(=O)c1cccnc1)C1CCOCC1 ZINC000566234144 485209572 /nfs/dbraw/zinc/20/95/72/485209572.db2.gz IZWROJHBIMAQFM-UHFFFAOYSA-N -1 0 371.415 -0.158 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)CCC(=O)[O-] ZINC000566234147 485209966 /nfs/dbraw/zinc/20/99/66/485209966.db2.gz JDMGULBTTNPSPJ-SECBINFHSA-N -1 0 357.388 -0.615 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)CCC(=O)[O-] ZINC000566234148 485209970 /nfs/dbraw/zinc/20/99/70/485209970.db2.gz JDMGULBTTNPSPJ-VIFPVBQESA-N -1 0 357.388 -0.615 20 0 FBADRM CC(C)CN1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1=O ZINC000566234692 485209903 /nfs/dbraw/zinc/20/99/03/485209903.db2.gz STOABDJXEGNLIH-CHWSQXEVSA-N -1 0 353.419 -0.118 20 0 FBADRM CC(C)CN1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1=O ZINC000566234693 485209649 /nfs/dbraw/zinc/20/96/49/485209649.db2.gz STOABDJXEGNLIH-OLZOCXBDSA-N -1 0 353.419 -0.118 20 0 FBADRM CC(C)CN1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1=O ZINC000566234694 485210148 /nfs/dbraw/zinc/21/01/48/485210148.db2.gz STOABDJXEGNLIH-QWHCGFSZSA-N -1 0 353.419 -0.118 20 0 FBADRM CC(C)CN1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1=O ZINC000566234695 485209934 /nfs/dbraw/zinc/20/99/34/485209934.db2.gz STOABDJXEGNLIH-STQMWFEESA-N -1 0 353.419 -0.118 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CCO1 ZINC000566235014 485209998 /nfs/dbraw/zinc/20/99/98/485209998.db2.gz VZCPPFGEUCRKGR-IJLUTSLNSA-N -1 0 356.375 -0.654 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CCO1 ZINC000566235015 485210210 /nfs/dbraw/zinc/21/02/10/485210210.db2.gz VZCPPFGEUCRKGR-QJPTWQEYSA-N -1 0 356.375 -0.654 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CCO1 ZINC000566235016 485209589 /nfs/dbraw/zinc/20/95/89/485209589.db2.gz VZCPPFGEUCRKGR-TUAOUCFPSA-N -1 0 356.375 -0.654 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CCO1 ZINC000566235017 485210182 /nfs/dbraw/zinc/21/01/82/485210182.db2.gz VZCPPFGEUCRKGR-UTUOFQBUSA-N -1 0 356.375 -0.654 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N(CCC(=O)[O-])C2CCOCC2)c1 ZINC000566235996 483847405 /nfs/dbraw/zinc/84/74/05/483847405.db2.gz YTPPSBOTVMHLOG-UHFFFAOYSA-N -1 0 374.419 -0.819 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000566241678 485209938 /nfs/dbraw/zinc/20/99/38/485209938.db2.gz HQAAEQXNIDGBGY-JTQLQIEISA-N -1 0 370.383 -0.729 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000566241679 485209916 /nfs/dbraw/zinc/20/99/16/485209916.db2.gz HQAAEQXNIDGBGY-SNVBAGLBSA-N -1 0 370.383 -0.729 20 0 FBADRM COCC(=O)N1CCC(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000566243013 485209738 /nfs/dbraw/zinc/20/97/38/485209738.db2.gz QRJRKLDSORTSSA-AAEUAGOBSA-N -1 0 369.418 -0.691 20 0 FBADRM COCC(=O)N1CCC(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000566243014 485209858 /nfs/dbraw/zinc/20/98/58/485209858.db2.gz QRJRKLDSORTSSA-DGCLKSJQSA-N -1 0 369.418 -0.691 20 0 FBADRM COCC(=O)N1CCC(NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000566243015 485209991 /nfs/dbraw/zinc/20/99/91/485209991.db2.gz QRJRKLDSORTSSA-WCQYABFASA-N -1 0 369.418 -0.691 20 0 FBADRM COCC(=O)N1CCC(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000566243016 485210032 /nfs/dbraw/zinc/21/00/32/485210032.db2.gz QRJRKLDSORTSSA-YPMHNXCESA-N -1 0 369.418 -0.691 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)C[C@H]1C(=O)[O-] ZINC000566243641 485209845 /nfs/dbraw/zinc/20/98/45/485209845.db2.gz XAMZYUUASLUGJV-FDYHWXHSSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)C[C@H]1C(=O)[O-] ZINC000566243642 485209907 /nfs/dbraw/zinc/20/99/07/485209907.db2.gz XAMZYUUASLUGJV-LPWJVIDDSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)C[C@@H]1C(=O)[O-] ZINC000566243643 485209887 /nfs/dbraw/zinc/20/98/87/485209887.db2.gz XAMZYUUASLUGJV-XQHKEYJVSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)C[C@@H]1C(=O)[O-] ZINC000566243646 485209832 /nfs/dbraw/zinc/20/98/32/485209832.db2.gz XAMZYUUASLUGJV-YVECIDJPSA-N -1 0 351.403 -0.175 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCCNc2ccn(C)n2)c1 ZINC000566287407 484112799 /nfs/dbraw/zinc/11/27/99/484112799.db2.gz VCKQIQYIGPHAQN-UHFFFAOYSA-N -1 0 367.431 0.218 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(c3nc(C(=O)[O-])co3)CC2)cn1C ZINC000566290416 483866396 /nfs/dbraw/zinc/86/63/96/483866396.db2.gz HJEZBTYTESUZEH-UHFFFAOYSA-N -1 0 355.376 -0.074 20 0 FBADRM CNS(=O)(=O)c1ccc(N2CCC(C(=O)[O-])([S@@](C)=O)CC2)nc1 ZINC000566296590 485212491 /nfs/dbraw/zinc/21/24/91/485212491.db2.gz CNFSINNZTDZMNK-JOCHJYFZSA-N -1 0 361.445 -0.208 20 0 FBADRM CNS(=O)(=O)c1ccc(N2CCC(C(=O)[O-])([S@](C)=O)CC2)nc1 ZINC000566296591 485211900 /nfs/dbraw/zinc/21/19/00/485211900.db2.gz CNFSINNZTDZMNK-QFIPXVFZSA-N -1 0 361.445 -0.208 20 0 FBADRM Cn1c(NCCc2nc(C(=O)[O-])cs2)nc2c1c(=O)[nH]c(=O)n2C ZINC000566296620 484482525 /nfs/dbraw/zinc/48/25/25/484482525.db2.gz DZAUZMNOMVAOSV-UHFFFAOYSA-N -1 0 350.360 0.182 20 0 FBADRM Cn1c(NCCOc2ccc(C(=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000566297597 484482167 /nfs/dbraw/zinc/48/21/67/484482167.db2.gz HZOZFZNKRZUWTD-UHFFFAOYSA-N -1 0 359.342 0.562 20 0 FBADRM COCCNC(=O)Cn1cc([N-]S(=O)(=O)c2c(N)noc2C)cn1 ZINC000566310232 484506465 /nfs/dbraw/zinc/50/64/65/484506465.db2.gz GCLQVEGTARFNLK-UHFFFAOYSA-N -1 0 358.380 -0.675 20 0 FBADRM CCOC[C@@H](C)CS(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000566311988 483872427 /nfs/dbraw/zinc/87/24/27/483872427.db2.gz MEADXQZTAPTHPC-GHMZBOCLSA-N -1 0 357.450 -0.438 20 0 FBADRM CCOC[C@@H](C)CS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000566311991 483872316 /nfs/dbraw/zinc/87/23/16/483872316.db2.gz MEADXQZTAPTHPC-MNOVXSKESA-N -1 0 357.450 -0.438 20 0 FBADRM CCOC[C@H](C)CS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000566311992 483872231 /nfs/dbraw/zinc/87/22/31/483872231.db2.gz MEADXQZTAPTHPC-QWRGUYRKSA-N -1 0 357.450 -0.438 20 0 FBADRM CCOC[C@H](C)CS(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000566311995 483872552 /nfs/dbraw/zinc/87/25/52/483872552.db2.gz MEADXQZTAPTHPC-WDEREUQCSA-N -1 0 357.450 -0.438 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1 ZINC000566312318 485211883 /nfs/dbraw/zinc/21/18/83/485211883.db2.gz QQVHMMVHRXMBHH-AAEUAGOBSA-N -1 0 366.461 -0.606 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)CC1 ZINC000566312322 485212198 /nfs/dbraw/zinc/21/21/98/485212198.db2.gz QQVHMMVHRXMBHH-DGCLKSJQSA-N -1 0 366.461 -0.606 20 0 FBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)[O-] ZINC000566312402 485212394 /nfs/dbraw/zinc/21/23/94/485212394.db2.gz NIZWNVTVDGSHJC-SSDOTTSWSA-N -1 0 365.389 -0.214 20 0 FBADRM NC(=O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)OC(F)(F)O2)C(=O)[O-] ZINC000566313161 485212495 /nfs/dbraw/zinc/21/24/95/485212495.db2.gz SQCACEKADAEESY-ZCFIWIBFSA-N -1 0 352.271 -0.385 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])cc1 ZINC000566313242 485212555 /nfs/dbraw/zinc/21/25/55/485212555.db2.gz HUWOOLPBQNYOKC-LBPRGKRZSA-N -1 0 372.399 -0.128 20 0 FBADRM CCOC[C@H](C)CS(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000566313434 483873625 /nfs/dbraw/zinc/87/36/25/483873625.db2.gz WCJFIZSMTSBYOH-AVGNSLFASA-N -1 0 362.448 -0.004 20 0 FBADRM CCOC[C@H](C)CS(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000566313435 483873396 /nfs/dbraw/zinc/87/33/96/483873396.db2.gz WCJFIZSMTSBYOH-RWMBFGLXSA-N -1 0 362.448 -0.004 20 0 FBADRM CCOC[C@H](C)CS(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000566313436 483873317 /nfs/dbraw/zinc/87/33/17/483873317.db2.gz WCJFIZSMTSBYOH-XQQFMLRXSA-N -1 0 362.448 -0.004 20 0 FBADRM CCOC[C@H](C)CS(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000566313437 483873487 /nfs/dbraw/zinc/87/34/87/483873487.db2.gz WCJFIZSMTSBYOH-YNEHKIRRSA-N -1 0 362.448 -0.004 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)cc1CC(=O)[O-] ZINC000566316519 483873770 /nfs/dbraw/zinc/87/37/70/483873770.db2.gz CITDOGYEMUERQQ-UHFFFAOYSA-N -1 0 363.413 -0.259 20 0 FBADRM O=C([O-])Cc1ccc(S(=O)(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1 ZINC000566316773 485213618 /nfs/dbraw/zinc/21/36/18/485213618.db2.gz OSETZFSJNIIJKI-STQMWFEESA-N -1 0 354.384 -0.408 20 0 FBADRM COC[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)CCO1 ZINC000566316805 485213322 /nfs/dbraw/zinc/21/33/22/485213322.db2.gz PYBOGQHFPUMGQC-GFCCVEGCSA-N -1 0 372.399 -0.463 20 0 FBADRM COC[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)CCO1 ZINC000566316806 485213569 /nfs/dbraw/zinc/21/35/69/485213569.db2.gz PYBOGQHFPUMGQC-LBPRGKRZSA-N -1 0 372.399 -0.463 20 0 FBADRM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)NCCNS(C)(=O)=O ZINC000566317367 485212878 /nfs/dbraw/zinc/21/28/78/485212878.db2.gz MFGMQLFXSPAHDN-UHFFFAOYSA-N -1 0 366.417 -0.850 20 0 FBADRM CS(=O)(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)c2occc2N)CCO1 ZINC000566317889 485213342 /nfs/dbraw/zinc/21/33/42/485213342.db2.gz JZEDAOBCKSUQAP-SECBINFHSA-N -1 0 361.376 -0.951 20 0 FBADRM CS(=O)(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)c2occc2N)CCO1 ZINC000566317890 485212926 /nfs/dbraw/zinc/21/29/26/485212926.db2.gz JZEDAOBCKSUQAP-VIFPVBQESA-N -1 0 361.376 -0.951 20 0 FBADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)n1 ZINC000566455742 485217723 /nfs/dbraw/zinc/21/77/23/485217723.db2.gz KGDIUTZPCLTSAF-ZWNOBZJWSA-N -1 0 369.374 -0.087 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000566456989 485217563 /nfs/dbraw/zinc/21/75/63/485217563.db2.gz PJEVKWPMDOTLNM-VXGBXAGGSA-N -1 0 362.429 -0.664 20 0 FBADRM O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000566457378 485219479 /nfs/dbraw/zinc/21/94/79/485219479.db2.gz ROWNSMOQLFHZCB-ZYHUDNBSSA-N -1 0 355.347 -0.395 20 0 FBADRM O=S(=O)([N-]c1cn[nH]c1)c1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1 ZINC000566480054 485218536 /nfs/dbraw/zinc/21/85/36/485218536.db2.gz WVZSPGBFZFOTAT-LLVKDONJSA-N -1 0 372.428 -0.034 20 0 FBADRM O=S(=O)([N-]c1nnc[nH]1)c1ccc(S(=O)(=O)N2CC[C@H](O)C2)cc1 ZINC000566481612 485219185 /nfs/dbraw/zinc/21/91/85/485219185.db2.gz ABTCDHTWYBJUEY-VIFPVBQESA-N -1 0 373.416 -0.639 20 0 FBADRM C[C@@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c[nH]cn2)cc1 ZINC000566487177 485219313 /nfs/dbraw/zinc/21/93/13/485219313.db2.gz PPHABDPBTGATKC-SECBINFHSA-N -1 0 360.417 -0.130 20 0 FBADRM O=S(=O)([N-]c1cn[nH]c1)c1cccc(S(=O)(=O)N2CC[C@H](O)C2)c1 ZINC000566487769 485219166 /nfs/dbraw/zinc/21/91/66/485219166.db2.gz HQEUWGNUZLNPIR-NSHDSACASA-N -1 0 372.428 -0.034 20 0 FBADRM O=S(=O)([N-]c1c[nH]cn1)c1cccc(S(=O)(=O)N2CC[C@H](O)C2)c1 ZINC000566487881 485218979 /nfs/dbraw/zinc/21/89/79/485218979.db2.gz OAMCXSCTMAVKMW-JTQLQIEISA-N -1 0 372.428 -0.034 20 0 FBADRM O=S(=O)([N-]c1nnc[nH]1)c1cccc(S(=O)(=O)N2CCCOC2)c1 ZINC000566487965 485218903 /nfs/dbraw/zinc/21/89/03/485218903.db2.gz JSQNVGFGWIEXJP-UHFFFAOYSA-N -1 0 373.416 -0.026 20 0 FBADRM O=S(=O)([N-]c1c[nH]cn1)c1ccccc1S(=O)(=O)N1CC[C@@H](O)C1 ZINC000566488128 485220276 /nfs/dbraw/zinc/22/02/76/485220276.db2.gz QDECCHOLPROWPI-SNVBAGLBSA-N -1 0 372.428 -0.034 20 0 FBADRM COC(=O)c1c(C)[nH]c(C([O-])=CS(=O)(=O)Cc2nnn(C)n2)c1C ZINC000566491452 485220252 /nfs/dbraw/zinc/22/02/52/485220252.db2.gz WCMYMTDNBPVUMN-UHFFFAOYSA-N -1 0 355.376 -0.261 20 0 FBADRM O=C([O-])[C@H](O)CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000566491638 485220284 /nfs/dbraw/zinc/22/02/84/485220284.db2.gz YPPBGEMZOCUAJO-CHWSQXEVSA-N -1 0 356.400 -0.344 20 0 FBADRM O=C([O-])[C@H](O)CNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000566491639 485220248 /nfs/dbraw/zinc/22/02/48/485220248.db2.gz YPPBGEMZOCUAJO-QWHCGFSZSA-N -1 0 356.400 -0.344 20 0 FBADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000566537862 485223468 /nfs/dbraw/zinc/22/34/68/485223468.db2.gz TZEUGVOCVBLJQH-SECBINFHSA-N -1 0 356.360 -0.482 20 0 FBADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000566537864 485223654 /nfs/dbraw/zinc/22/36/54/485223654.db2.gz TZEUGVOCVBLJQH-VIFPVBQESA-N -1 0 356.360 -0.482 20 0 FBADRM CC[C@@H](CCC(=O)[O-])NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000566546769 485224195 /nfs/dbraw/zinc/22/41/95/485224195.db2.gz WRBKFFLQRHMTHA-JTQLQIEISA-N -1 0 357.454 -0.959 20 0 FBADRM CC[C@H](CCC(=O)[O-])NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000566546771 485223767 /nfs/dbraw/zinc/22/37/67/485223767.db2.gz WRBKFFLQRHMTHA-SNVBAGLBSA-N -1 0 357.454 -0.959 20 0 FBADRM Cc1ncc2c(n1)CC[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C2 ZINC000566556200 485223775 /nfs/dbraw/zinc/22/37/75/485223775.db2.gz JHEKNBZAEPELAE-AAEUAGOBSA-N -1 0 368.415 -0.464 20 0 FBADRM Cc1ncc2c(n1)CC[C@@H](NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C2 ZINC000566556202 485223428 /nfs/dbraw/zinc/22/34/28/485223428.db2.gz JHEKNBZAEPELAE-DGCLKSJQSA-N -1 0 368.415 -0.464 20 0 FBADRM Cc1ncc2c(n1)CC[C@H](NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C2 ZINC000566556204 485224301 /nfs/dbraw/zinc/22/43/01/485224301.db2.gz JHEKNBZAEPELAE-WCQYABFASA-N -1 0 368.415 -0.464 20 0 FBADRM Cc1ncc2c(n1)CC[C@@H](NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C2 ZINC000566556205 485223675 /nfs/dbraw/zinc/22/36/75/485223675.db2.gz JHEKNBZAEPELAE-YPMHNXCESA-N -1 0 368.415 -0.464 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCCC(=O)[O-])c1 ZINC000566560957 485224338 /nfs/dbraw/zinc/22/43/38/485224338.db2.gz JWEQZKWFGGKGGQ-UHFFFAOYSA-N -1 0 371.415 -0.352 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@H]1CCC(=O)[O-] ZINC000566605321 485225187 /nfs/dbraw/zinc/22/51/87/485225187.db2.gz MLZMUDIQJNHYBF-GHMZBOCLSA-N -1 0 373.431 -0.405 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1CCC(=O)[O-] ZINC000566605322 485225352 /nfs/dbraw/zinc/22/53/52/485225352.db2.gz MLZMUDIQJNHYBF-MNOVXSKESA-N -1 0 373.431 -0.405 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1CCC(=O)[O-] ZINC000566605323 485225144 /nfs/dbraw/zinc/22/51/44/485225144.db2.gz MLZMUDIQJNHYBF-QWRGUYRKSA-N -1 0 373.431 -0.405 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@H]1CCC(=O)[O-] ZINC000566605324 485225055 /nfs/dbraw/zinc/22/50/55/485225055.db2.gz MLZMUDIQJNHYBF-WDEREUQCSA-N -1 0 373.431 -0.405 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)NC2(CC(=O)[O-])CCOCC2)cn1C ZINC000566617946 485226623 /nfs/dbraw/zinc/22/66/23/485226623.db2.gz PGKYSLVYJKXILJ-UHFFFAOYSA-N -1 0 359.404 -0.313 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)NCCSCC(=O)[O-])CC1 ZINC000566618227 485226255 /nfs/dbraw/zinc/22/62/55/485226255.db2.gz ZEHUFPNYMXQVRQ-UHFFFAOYSA-N -1 0 374.506 -0.605 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000566620697 485226290 /nfs/dbraw/zinc/22/62/90/485226290.db2.gz QVCRMQMKRNYPOR-UHFFFAOYSA-N -1 0 352.409 -0.966 20 0 FBADRM Cn1cnc(N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)cc1=O ZINC000566629824 485226428 /nfs/dbraw/zinc/22/64/28/485226428.db2.gz KSCSSDLPFZQOTE-UHFFFAOYSA-N -1 0 369.369 -0.265 20 0 FBADRM CC(C)(NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12)c1nnn[n-]1 ZINC000566669578 485227177 /nfs/dbraw/zinc/22/71/77/485227177.db2.gz IOENHJRINOPUJJ-UHFFFAOYSA-N -1 0 364.391 -0.594 20 0 FBADRM COC[C@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)OC ZINC000566670850 485227546 /nfs/dbraw/zinc/22/75/46/485227546.db2.gz DJXMHKCSXXIPEA-JTQLQIEISA-N -1 0 366.342 -0.453 20 0 FBADRM COC[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)OC ZINC000566670854 485227413 /nfs/dbraw/zinc/22/74/13/485227413.db2.gz DJXMHKCSXXIPEA-SNVBAGLBSA-N -1 0 366.342 -0.453 20 0 FBADRM CS(=O)(=O)N1CCCN(S(=O)(=O)c2cccnc2C(=O)[O-])CC1 ZINC000566676172 483954939 /nfs/dbraw/zinc/95/49/39/483954939.db2.gz GJRHZRCPDFFSIY-UHFFFAOYSA-N -1 0 363.417 -0.564 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000566677875 485227499 /nfs/dbraw/zinc/22/74/99/485227499.db2.gz WHYPXWDPWYVSEI-GFCCVEGCSA-N -1 0 354.384 -0.240 20 0 FBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000566677876 485227661 /nfs/dbraw/zinc/22/76/61/485227661.db2.gz WHYPXWDPWYVSEI-LBPRGKRZSA-N -1 0 354.384 -0.240 20 0 FBADRM CCOC(=O)Cn1cccc(NC(=O)C(=O)N[C@H](CC)C(=O)[O-])c1=O ZINC000566678405 485227207 /nfs/dbraw/zinc/22/72/07/485227207.db2.gz CZSWXBDXNOXHLM-SECBINFHSA-N -1 0 353.331 -0.671 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000566678597 485227191 /nfs/dbraw/zinc/22/71/91/485227191.db2.gz HSXQBCODNJGTOA-RFQIPJPRSA-N -1 0 372.418 -0.508 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000566678599 485227001 /nfs/dbraw/zinc/22/70/01/485227001.db2.gz HSXQBCODNJGTOA-XDQVBPFNSA-N -1 0 372.418 -0.508 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000566678602 485227777 /nfs/dbraw/zinc/22/77/77/485227777.db2.gz HSXQBCODNJGTOA-YIYPIFLZSA-N -1 0 372.418 -0.508 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000566678603 485227841 /nfs/dbraw/zinc/22/78/41/485227841.db2.gz HSXQBCODNJGTOA-ZOBORPQBSA-N -1 0 372.418 -0.508 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCO[C@H](CNC(C)=O)C2)cc1C(=O)[O-] ZINC000566682840 485227724 /nfs/dbraw/zinc/22/77/24/485227724.db2.gz WHELCZUDGUEIPY-LLVKDONJSA-N -1 0 372.399 -0.081 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCO[C@@H](CNC(C)=O)C2)cc1C(=O)[O-] ZINC000566682841 485227384 /nfs/dbraw/zinc/22/73/84/485227384.db2.gz WHELCZUDGUEIPY-NSHDSACASA-N -1 0 372.399 -0.081 20 0 FBADRM Cc1ccc(C)c(S(=O)(=O)NCC(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000566710089 485228428 /nfs/dbraw/zinc/22/84/28/485228428.db2.gz SFIWWNFHEZTVDE-UHFFFAOYSA-N -1 0 350.404 -0.100 20 0 FBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000566713944 485228710 /nfs/dbraw/zinc/22/87/10/485228710.db2.gz MWDYRXKESNAKEJ-JTQLQIEISA-N -1 0 369.403 -0.013 20 0 FBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000566713948 485228506 /nfs/dbraw/zinc/22/85/06/485228506.db2.gz MWDYRXKESNAKEJ-SNVBAGLBSA-N -1 0 369.403 -0.013 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCCc2cccs2)CCS1(=O)=O ZINC000566733093 485229552 /nfs/dbraw/zinc/22/95/52/485229552.db2.gz MMTPBHRBGJNJPJ-LLVKDONJSA-N -1 0 374.440 -0.493 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCCc2cccs2)CCS1(=O)=O ZINC000566733096 485229509 /nfs/dbraw/zinc/22/95/09/485229509.db2.gz MMTPBHRBGJNJPJ-NSHDSACASA-N -1 0 374.440 -0.493 20 0 FBADRM O=C([O-])CCCNC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000566735780 485229933 /nfs/dbraw/zinc/22/99/33/485229933.db2.gz GORDNHKLTGEMPW-UHFFFAOYSA-N -1 0 356.404 -0.038 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])cn1 ZINC000566741413 485229299 /nfs/dbraw/zinc/22/92/99/485229299.db2.gz XVNUFXKCYOLSFP-SECBINFHSA-N -1 0 364.401 -0.647 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])cn1 ZINC000566741418 485229901 /nfs/dbraw/zinc/22/99/01/485229901.db2.gz XVNUFXKCYOLSFP-VIFPVBQESA-N -1 0 364.401 -0.647 20 0 FBADRM CN(C)C(=O)c1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1 ZINC000566741461 485229360 /nfs/dbraw/zinc/22/93/60/485229360.db2.gz YSTMAICLLONJGI-UHFFFAOYSA-N -1 0 357.388 -0.742 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H]2CC[C@@H](CO)O2)c1 ZINC000566756172 485230792 /nfs/dbraw/zinc/23/07/92/485230792.db2.gz XMWNBVFNWCLMDV-MNOVXSKESA-N -1 0 358.416 -0.088 20 0 FBADRM C[C@@H](C(=O)[O-])C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000566796186 485230671 /nfs/dbraw/zinc/23/06/71/485230671.db2.gz NLVFDUPODARBMJ-GFCCVEGCSA-N -1 0 370.431 -0.630 20 0 FBADRM C[C@H](C(=O)[O-])C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000566796187 485230707 /nfs/dbraw/zinc/23/07/07/485230707.db2.gz NLVFDUPODARBMJ-LBPRGKRZSA-N -1 0 370.431 -0.630 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCn2cncn2)C[C@H]1c1ccccc1 ZINC000566797202 485230750 /nfs/dbraw/zinc/23/07/50/485230750.db2.gz HLBRGCGCEAUNRW-UONOGXRCSA-N -1 0 357.370 -0.279 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])co1 ZINC000566797480 485231284 /nfs/dbraw/zinc/23/12/84/485231284.db2.gz XLVIBTMARSTTLJ-MRVPVSSYSA-N -1 0 361.376 -0.761 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])co1 ZINC000566797482 485231162 /nfs/dbraw/zinc/23/11/62/485231162.db2.gz XLVIBTMARSTTLJ-QMMMGPOBSA-N -1 0 361.376 -0.761 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N[C@]2(CC(=O)OC)CCOC2)s[n-]1 ZINC000566801553 485232186 /nfs/dbraw/zinc/23/21/86/485232186.db2.gz WAWNEOCJTLWZJU-AWEZNQCLSA-N -1 0 356.404 -0.311 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N[C@@]2(CC(=O)OC)CCOC2)s[n-]1 ZINC000566801554 485232236 /nfs/dbraw/zinc/23/22/36/485232236.db2.gz WAWNEOCJTLWZJU-CQSZACIVSA-N -1 0 356.404 -0.311 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)s[n-]1 ZINC000566801740 485232241 /nfs/dbraw/zinc/23/22/41/485232241.db2.gz FDAXJAIJFKYNJP-MRVPVSSYSA-N -1 0 361.449 -0.999 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)s[n-]1 ZINC000566801741 485231880 /nfs/dbraw/zinc/23/18/80/485231880.db2.gz FDAXJAIJFKYNJP-QMMMGPOBSA-N -1 0 361.449 -0.999 20 0 FBADRM Cn1cc([N-]S(=O)(=O)c2cccc(S(=O)(=O)N3CCCO3)c2)nn1 ZINC000566807938 485231927 /nfs/dbraw/zinc/23/19/27/485231927.db2.gz WJUHOIPGJPDMNA-UHFFFAOYSA-N -1 0 373.416 -0.058 20 0 FBADRM CN(C)C(=O)Cn1cnc(=NC(=O)N=c2ccn(CC(F)(F)F)[nH]2)[n-]1 ZINC000566832175 485233753 /nfs/dbraw/zinc/23/37/53/485233753.db2.gz JTFNJHPCIWNCJO-UHFFFAOYSA-N -1 0 360.300 -0.387 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cc1F ZINC000566835805 485233594 /nfs/dbraw/zinc/23/35/94/485233594.db2.gz HUFYEYQQLDQODD-UHFFFAOYSA-N -1 0 372.334 -0.120 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC000566852964 485233042 /nfs/dbraw/zinc/23/30/42/485233042.db2.gz FDZLVYYDVDMINR-SSDOTTSWSA-N -1 0 370.371 -0.407 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000566852965 485233033 /nfs/dbraw/zinc/23/30/33/485233033.db2.gz FDZLVYYDVDMINR-ZETCQYMHSA-N -1 0 370.371 -0.407 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000566853726 485233509 /nfs/dbraw/zinc/23/35/09/485233509.db2.gz SCWQGWZYIQNDEO-GFCCVEGCSA-N -1 0 364.401 -0.883 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000566853727 485233456 /nfs/dbraw/zinc/23/34/56/485233456.db2.gz SCWQGWZYIQNDEO-LBPRGKRZSA-N -1 0 364.401 -0.883 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)C[C@H]1C(=O)[O-] ZINC000566855693 485233722 /nfs/dbraw/zinc/23/37/22/485233722.db2.gz LLCDEEFSXJLXCT-HZSPNIEDSA-N -1 0 369.462 -0.141 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)C[C@@H]1C(=O)[O-] ZINC000566855697 485233439 /nfs/dbraw/zinc/23/34/39/485233439.db2.gz LLCDEEFSXJLXCT-MCIONIFRSA-N -1 0 369.462 -0.141 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)C[C@H]1C(=O)[O-] ZINC000566855698 485232634 /nfs/dbraw/zinc/23/26/34/485232634.db2.gz LLCDEEFSXJLXCT-MGPQQGTHSA-N -1 0 369.462 -0.141 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)C[C@@H]1C(=O)[O-] ZINC000566855699 485233261 /nfs/dbraw/zinc/23/32/61/485233261.db2.gz LLCDEEFSXJLXCT-RDBSUJKOSA-N -1 0 369.462 -0.141 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCCn1cc(CO)nn1 ZINC000566887980 485234245 /nfs/dbraw/zinc/23/42/45/485234245.db2.gz WLOLDGMXUGADRS-UHFFFAOYSA-N -1 0 353.404 -0.038 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2)C(=O)[O-] ZINC000566890805 485234385 /nfs/dbraw/zinc/23/43/85/485234385.db2.gz XNTNVPQLWZYGNH-GFCCVEGCSA-N -1 0 354.384 -0.100 20 0 FBADRM COC[C@H](NS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2)C(=O)[O-] ZINC000566890806 485234753 /nfs/dbraw/zinc/23/47/53/485234753.db2.gz XNTNVPQLWZYGNH-LBPRGKRZSA-N -1 0 354.384 -0.100 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000566912818 485235012 /nfs/dbraw/zinc/23/50/12/485235012.db2.gz LDISEPYXLVGXOJ-CYBMUJFWSA-N -1 0 355.376 -0.180 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000566912826 485234817 /nfs/dbraw/zinc/23/48/17/485234817.db2.gz LDISEPYXLVGXOJ-ZDUSSCGKSA-N -1 0 355.376 -0.180 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000566912926 484012626 /nfs/dbraw/zinc/01/26/26/484012626.db2.gz MTOKLEOHHQVGGZ-JTQLQIEISA-N -1 0 362.429 -0.055 20 0 FBADRM CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000566912927 484016094 /nfs/dbraw/zinc/01/60/94/484016094.db2.gz MTOKLEOHHQVGGZ-SNVBAGLBSA-N -1 0 362.429 -0.055 20 0 FBADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000566926071 485235631 /nfs/dbraw/zinc/23/56/31/485235631.db2.gz HBHKGWZIIRKFNA-GFCCVEGCSA-N -1 0 363.436 -0.792 20 0 FBADRM C[C@H](CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000566926075 485235859 /nfs/dbraw/zinc/23/58/59/485235859.db2.gz HBHKGWZIIRKFNA-LBPRGKRZSA-N -1 0 363.436 -0.792 20 0 FBADRM CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000566949297 485237218 /nfs/dbraw/zinc/23/72/18/485237218.db2.gz RFOUFPFAOWPTRB-KCJUWKMLSA-N -1 0 366.417 -0.903 20 0 FBADRM COC[C@@](C)(NS(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000566971702 484022765 /nfs/dbraw/zinc/02/27/65/484022765.db2.gz SKPCNKNXAXKBFF-CYBMUJFWSA-N -1 0 365.429 -0.001 20 0 FBADRM COC[C@](C)(NS(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000566971705 484022377 /nfs/dbraw/zinc/02/23/77/484022377.db2.gz SKPCNKNXAXKBFF-ZDUSSCGKSA-N -1 0 365.429 -0.001 20 0 FBADRM C[C@@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000566974385 485237062 /nfs/dbraw/zinc/23/70/62/485237062.db2.gz UDUGCRYUGYGUGO-SECBINFHSA-N -1 0 358.372 -0.285 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)N(CCOC)CC(=O)[O-])c1 ZINC000566992486 485238196 /nfs/dbraw/zinc/23/81/96/485238196.db2.gz NETFMRZDUYSKEY-UHFFFAOYSA-N -1 0 359.404 -0.163 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@H]1CC[S@@](=O)C1 ZINC000567003718 485238378 /nfs/dbraw/zinc/23/83/78/485238378.db2.gz JVQFJTXCUNYBHL-HXNGOWOSSA-N -1 0 352.384 -0.120 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@@H]1CC[S@@](=O)C1 ZINC000567003721 485238517 /nfs/dbraw/zinc/23/85/17/485238517.db2.gz JVQFJTXCUNYBHL-IJSAXESFSA-N -1 0 352.384 -0.120 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@H]1CC[S@](=O)C1 ZINC000567003722 485238042 /nfs/dbraw/zinc/23/80/42/485238042.db2.gz JVQFJTXCUNYBHL-PPRQPISWSA-N -1 0 352.384 -0.120 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@@H]1CC[S@](=O)C1 ZINC000567003723 485238208 /nfs/dbraw/zinc/23/82/08/485238208.db2.gz JVQFJTXCUNYBHL-ZEDNOMKYSA-N -1 0 352.384 -0.120 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)cn1C ZINC000567043200 485239645 /nfs/dbraw/zinc/23/96/45/485239645.db2.gz LVWRXOLKPKPKAZ-BXKDBHETSA-N -1 0 359.404 -0.457 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)cn1C ZINC000567043201 485239363 /nfs/dbraw/zinc/23/93/63/485239363.db2.gz LVWRXOLKPKPKAZ-CABZTGNLSA-N -1 0 359.404 -0.457 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)cn1C ZINC000567043202 485239472 /nfs/dbraw/zinc/23/94/72/485239472.db2.gz LVWRXOLKPKPKAZ-JOYOIKCWSA-N -1 0 359.404 -0.457 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)cn1C ZINC000567043203 485240524 /nfs/dbraw/zinc/24/05/24/485240524.db2.gz LVWRXOLKPKPKAZ-SKDRFNHKSA-N -1 0 359.404 -0.457 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000567045989 485240179 /nfs/dbraw/zinc/24/01/79/485240179.db2.gz MWBKLHDWIHUGDY-GHMZBOCLSA-N -1 0 350.441 -0.429 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000567045990 485240827 /nfs/dbraw/zinc/24/08/27/485240827.db2.gz MWBKLHDWIHUGDY-MNOVXSKESA-N -1 0 350.441 -0.429 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000567045991 485240795 /nfs/dbraw/zinc/24/07/95/485240795.db2.gz MWBKLHDWIHUGDY-QWRGUYRKSA-N -1 0 350.441 -0.429 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000567045992 485240058 /nfs/dbraw/zinc/24/00/58/485240058.db2.gz MWBKLHDWIHUGDY-WDEREUQCSA-N -1 0 350.441 -0.429 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCCCC(=O)[O-])CC2)cn1 ZINC000567046159 485240451 /nfs/dbraw/zinc/24/04/51/485240451.db2.gz TVECIDJSPWMXEC-UHFFFAOYSA-N -1 0 373.435 -0.263 20 0 FBADRM CN(C)c1noc([C@H]2CCCN(C(=O)C(=O)NCCCC(=O)[O-])C2)n1 ZINC000567049011 485240520 /nfs/dbraw/zinc/24/05/20/485240520.db2.gz YWWHQYPRRXLNTJ-JTQLQIEISA-N -1 0 353.379 -0.177 20 0 FBADRM CN(C)c1noc([C@@H]2CCCN(C(=O)C(=O)NCCCC(=O)[O-])C2)n1 ZINC000567049012 485240332 /nfs/dbraw/zinc/24/03/32/485240332.db2.gz YWWHQYPRRXLNTJ-SNVBAGLBSA-N -1 0 353.379 -0.177 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)NCCCC(=O)[O-] ZINC000567049211 485240569 /nfs/dbraw/zinc/24/05/69/485240569.db2.gz FHJFXKDLUYIDHT-UHFFFAOYSA-N -1 0 371.415 -0.466 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000567110166 484674801 /nfs/dbraw/zinc/67/48/01/484674801.db2.gz WBULGIVHYVAUBJ-UHFFFAOYSA-N -1 0 352.271 -0.513 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1 ZINC000567163999 485242789 /nfs/dbraw/zinc/24/27/89/485242789.db2.gz KJJKTQGEVFRLNC-UHFFFAOYSA-N -1 0 365.429 -0.047 20 0 FBADRM C[C@@H]1CN(CCNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCO1 ZINC000567184201 485243698 /nfs/dbraw/zinc/24/36/98/485243698.db2.gz DZJLLGXEUJWRIG-SECBINFHSA-N -1 0 369.403 -0.565 20 0 FBADRM C[C@H]1CN(CCNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCO1 ZINC000567184202 485244132 /nfs/dbraw/zinc/24/41/32/485244132.db2.gz DZJLLGXEUJWRIG-VIFPVBQESA-N -1 0 369.403 -0.565 20 0 FBADRM O=C([O-])[C@@H](Cc1c[nH]c2ncccc12)NC(=O)N1CCS(=O)(=O)CC1 ZINC000567210933 485244818 /nfs/dbraw/zinc/24/48/18/485244818.db2.gz IGTUVHYDBBMVRR-GFCCVEGCSA-N -1 0 366.399 -0.001 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]c2ncccc12)NC(=O)N1CCS(=O)(=O)CC1 ZINC000567210934 485245116 /nfs/dbraw/zinc/24/51/16/485245116.db2.gz IGTUVHYDBBMVRR-LBPRGKRZSA-N -1 0 366.399 -0.001 20 0 FBADRM CN(CC(=O)N1CCOCC1)S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000567238932 485246626 /nfs/dbraw/zinc/24/66/26/485246626.db2.gz BXKXQUIOLCWWBX-UHFFFAOYSA-N -1 0 356.400 -0.207 20 0 FBADRM CS(=O)(=O)CC1(CNS(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC000567265479 485248320 /nfs/dbraw/zinc/24/83/20/485248320.db2.gz VADRCOVRGDYNBV-UHFFFAOYSA-N -1 0 354.431 -0.056 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCNC(=O)C2CC2)C[C@H]1c1ccccc1 ZINC000567270706 485247959 /nfs/dbraw/zinc/24/79/59/485247959.db2.gz KPPWTOQDQLQIIM-LSDHHAIUSA-N -1 0 373.409 -0.044 20 0 FBADRM CN(C1CCCCC1)S(=O)(=O)N1CCN(C[C@](C)(O)C(=O)[O-])CC1 ZINC000567279899 485247255 /nfs/dbraw/zinc/24/72/55/485247255.db2.gz GFJFDEMEIVWMBW-HNNXBMFYSA-N -1 0 363.480 -0.051 20 0 FBADRM CN(C1CCCCC1)S(=O)(=O)N1CCN(C[C@@](C)(O)C(=O)[O-])CC1 ZINC000567279900 485248146 /nfs/dbraw/zinc/24/81/46/485248146.db2.gz GFJFDEMEIVWMBW-OAHLLOKOSA-N -1 0 363.480 -0.051 20 0 FBADRM COc1cccnc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCOC1 ZINC000567292149 485249157 /nfs/dbraw/zinc/24/91/57/485249157.db2.gz GTKRQOPKVZTOMG-UHFFFAOYSA-N -1 0 365.433 -0.159 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)NC[C@H](Oc1ccccc1)C(=O)[O-] ZINC000567295040 485249011 /nfs/dbraw/zinc/24/90/11/485249011.db2.gz PNUPLVYFGZZWCN-LBPRGKRZSA-N -1 0 365.429 -0.127 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](C)CC(=O)[O-] ZINC000567349879 485249620 /nfs/dbraw/zinc/24/96/20/485249620.db2.gz DFFZZBHROGXUPM-SECBINFHSA-N -1 0 350.418 -0.016 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](C)CC(=O)[O-] ZINC000567349880 485250230 /nfs/dbraw/zinc/25/02/30/485250230.db2.gz DFFZZBHROGXUPM-VIFPVBQESA-N -1 0 350.418 -0.016 20 0 FBADRM CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000567357545 485250751 /nfs/dbraw/zinc/25/07/51/485250751.db2.gz PMSJMHUZPOGFPN-UHFFFAOYSA-N -1 0 356.400 -0.207 20 0 FBADRM C[C@@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1 ZINC000567367138 485251415 /nfs/dbraw/zinc/25/14/15/485251415.db2.gz VRMLGIGMJUNLLV-MRVPVSSYSA-N -1 0 361.405 -0.735 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C[C@H](C)S1 ZINC000567377795 485251490 /nfs/dbraw/zinc/25/14/90/485251490.db2.gz CXGYTVQASFGYLK-AEJSXWLSSA-N -1 0 364.445 -0.951 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C[C@@H](C)S1 ZINC000567377796 485251088 /nfs/dbraw/zinc/25/10/88/485251088.db2.gz CXGYTVQASFGYLK-BBBLOLIVSA-N -1 0 364.445 -0.951 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C[C@H](C)S1 ZINC000567377797 485250731 /nfs/dbraw/zinc/25/07/31/485250731.db2.gz CXGYTVQASFGYLK-KXUCPTDWSA-N -1 0 364.445 -0.951 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C[C@@H](C)S1 ZINC000567377798 485250681 /nfs/dbraw/zinc/25/06/81/485250681.db2.gz CXGYTVQASFGYLK-OPRDCNLKSA-N -1 0 364.445 -0.951 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1=O ZINC000567385466 485252056 /nfs/dbraw/zinc/25/20/56/485252056.db2.gz DQOLGARUUJTDIN-CHWSQXEVSA-N -1 0 369.418 -0.737 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1=O ZINC000567385467 485252283 /nfs/dbraw/zinc/25/22/83/485252283.db2.gz DQOLGARUUJTDIN-OLZOCXBDSA-N -1 0 369.418 -0.737 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1=O ZINC000567385468 485251951 /nfs/dbraw/zinc/25/19/51/485251951.db2.gz DQOLGARUUJTDIN-QWHCGFSZSA-N -1 0 369.418 -0.737 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1=O ZINC000567385469 485252448 /nfs/dbraw/zinc/25/24/48/485252448.db2.gz DQOLGARUUJTDIN-STQMWFEESA-N -1 0 369.418 -0.737 20 0 FBADRM Cn1c(=O)ccn(CC(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1=O ZINC000567390724 485252335 /nfs/dbraw/zinc/25/23/35/485252335.db2.gz GZEKITFZCJGPMX-GOSISDBHSA-N -1 0 357.366 -0.198 20 0 FBADRM Cn1c(=O)ccn(CC(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1=O ZINC000567390725 485252638 /nfs/dbraw/zinc/25/26/38/485252638.db2.gz GZEKITFZCJGPMX-SFHVURJKSA-N -1 0 357.366 -0.198 20 0 FBADRM O=S(=O)([N-]c1cn[nH]c1)c1ccc(S(=O)(=O)N2CC(CO)C2)cc1 ZINC000567406763 485252240 /nfs/dbraw/zinc/25/22/40/485252240.db2.gz RGUDEVLZXPDJJQ-UHFFFAOYSA-N -1 0 372.428 -0.177 20 0 FBADRM CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000567413185 485253545 /nfs/dbraw/zinc/25/35/45/485253545.db2.gz AGXWFLURWVMVKP-GFCCVEGCSA-N -1 0 363.413 -0.295 20 0 FBADRM CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000567413186 485253051 /nfs/dbraw/zinc/25/30/51/485253051.db2.gz AGXWFLURWVMVKP-LBPRGKRZSA-N -1 0 363.413 -0.295 20 0 FBADRM CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)c1n[nH]c(=O)[n-]1)C2 ZINC000567419659 485253196 /nfs/dbraw/zinc/25/31/96/485253196.db2.gz NWILHNRIOOCRRE-UHFFFAOYSA-N -1 0 351.388 -0.041 20 0 FBADRM COC[C@](C)(O)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000567433603 485253038 /nfs/dbraw/zinc/25/30/38/485253038.db2.gz TUENOMYKLUXDFK-CYBMUJFWSA-N -1 0 352.359 -0.243 20 0 FBADRM COC[C@@](C)(O)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000567433604 485253486 /nfs/dbraw/zinc/25/34/86/485253486.db2.gz TUENOMYKLUXDFK-ZDUSSCGKSA-N -1 0 352.359 -0.243 20 0 FBADRM COC(=O)CC[C@@H](NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-] ZINC000567437198 485253429 /nfs/dbraw/zinc/25/34/29/485253429.db2.gz YRJNCSUITVSPKI-SECBINFHSA-N -1 0 351.377 -0.345 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000567471511 485254280 /nfs/dbraw/zinc/25/42/80/485254280.db2.gz OYGSYKWHMMDUMA-GFCCVEGCSA-N -1 0 369.399 -0.137 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000567471512 485254362 /nfs/dbraw/zinc/25/43/62/485254362.db2.gz OYGSYKWHMMDUMA-LBPRGKRZSA-N -1 0 369.399 -0.137 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](CS(C)(=O)=O)C2)C[C@H]1C(=O)[O-] ZINC000567471690 485254774 /nfs/dbraw/zinc/25/47/74/485254774.db2.gz XFMQUOHZEWYWIV-GRYCIOLGSA-N -1 0 360.432 -0.551 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)C[C@H]1C(=O)[O-] ZINC000567471691 485254443 /nfs/dbraw/zinc/25/44/43/485254443.db2.gz XFMQUOHZEWYWIV-IJLUTSLNSA-N -1 0 360.432 -0.551 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)C[C@@H]1C(=O)[O-] ZINC000567471692 485254611 /nfs/dbraw/zinc/25/46/11/485254611.db2.gz XFMQUOHZEWYWIV-UTUOFQBUSA-N -1 0 360.432 -0.551 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](CS(C)(=O)=O)C2)C[C@@H]1C(=O)[O-] ZINC000567471693 485254643 /nfs/dbraw/zinc/25/46/43/485254643.db2.gz XFMQUOHZEWYWIV-WOPDTQHZSA-N -1 0 360.432 -0.551 20 0 FBADRM CC(C)(NS(C)(=O)=O)C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000567474620 485254509 /nfs/dbraw/zinc/25/45/09/485254509.db2.gz LDIYYANGYMLJQO-SECBINFHSA-N -1 0 359.408 -0.532 20 0 FBADRM CC(C)(NS(C)(=O)=O)C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000567474621 485254922 /nfs/dbraw/zinc/25/49/22/485254922.db2.gz LDIYYANGYMLJQO-VIFPVBQESA-N -1 0 359.408 -0.532 20 0 FBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCN(c3cccnn3)CC2)CC1 ZINC000567498293 485255487 /nfs/dbraw/zinc/25/54/87/485255487.db2.gz OUVOZIVRBUJKKU-UHFFFAOYSA-N -1 0 355.420 -0.360 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)c(F)c1 ZINC000567515500 485257121 /nfs/dbraw/zinc/25/71/21/485257121.db2.gz MMJRCCLFERJSNL-UHFFFAOYSA-N -1 0 372.334 -0.120 20 0 FBADRM COC(=O)c1cnccc1[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000567530841 485258632 /nfs/dbraw/zinc/25/86/32/485258632.db2.gz NSBJZIWPYZSERZ-UHFFFAOYSA-N -1 0 371.396 -0.262 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])CCCCC1 ZINC000567544234 485258706 /nfs/dbraw/zinc/25/87/06/485258706.db2.gz GUEOURIQUVRAEW-SECBINFHSA-N -1 0 350.393 -0.642 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000567588426 485260843 /nfs/dbraw/zinc/26/08/43/485260843.db2.gz ZWOPOSIQTMOYOS-UHFFFAOYSA-N -1 0 355.372 -0.573 20 0 FBADRM C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000567592672 485260739 /nfs/dbraw/zinc/26/07/39/485260739.db2.gz BKCSHXNZBQBETN-LLVKDONJSA-N -1 0 360.370 -0.411 20 0 FBADRM C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000567592673 485260419 /nfs/dbraw/zinc/26/04/19/485260419.db2.gz BKCSHXNZBQBETN-NSHDSACASA-N -1 0 360.370 -0.411 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNS(C)(=O)=O)c(C)c1C(=O)[O-] ZINC000567593086 484346123 /nfs/dbraw/zinc/34/61/23/484346123.db2.gz QBNPMZQGLLNWPY-UHFFFAOYSA-N -1 0 350.418 -0.171 20 0 FBADRM Cn1cc(S(=O)(=O)NCC2CCS(=O)(=O)CC2)cc1C(=O)[O-] ZINC000567593257 485260674 /nfs/dbraw/zinc/26/06/74/485260674.db2.gz VSKDVOBPPQVEJK-UHFFFAOYSA-N -1 0 350.418 -0.174 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)C[C@H]1C(=O)[O-] ZINC000567613665 485260726 /nfs/dbraw/zinc/26/07/26/485260726.db2.gz ICWHNVAISGODJT-CHWSQXEVSA-N -1 0 355.435 -0.217 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)C[C@@H]1C(=O)[O-] ZINC000567613666 485260184 /nfs/dbraw/zinc/26/01/84/485260184.db2.gz ICWHNVAISGODJT-OLZOCXBDSA-N -1 0 355.435 -0.217 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)C[C@H]1C(=O)[O-] ZINC000567613667 485259995 /nfs/dbraw/zinc/25/99/95/485259995.db2.gz ICWHNVAISGODJT-QWHCGFSZSA-N -1 0 355.435 -0.217 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)C[C@@H]1C(=O)[O-] ZINC000567613668 485259954 /nfs/dbraw/zinc/25/99/54/485259954.db2.gz ICWHNVAISGODJT-STQMWFEESA-N -1 0 355.435 -0.217 20 0 FBADRM COc1ccc(NC(=O)NC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC000567616687 485260255 /nfs/dbraw/zinc/26/02/55/485260255.db2.gz JODMJBOMPUUGCG-UHFFFAOYSA-N -1 0 364.358 -0.428 20 0 FBADRM NS(=O)(=O)c1cccnc1N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC000567616906 485260116 /nfs/dbraw/zinc/26/01/16/485260116.db2.gz UFUMCJQIWQWJIC-UHFFFAOYSA-N -1 0 352.376 -0.140 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000567617496 485260850 /nfs/dbraw/zinc/26/08/50/485260850.db2.gz LWVDNZCIGXMLAQ-KGYLQXTDSA-N -1 0 358.416 -0.561 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000567617497 485260670 /nfs/dbraw/zinc/26/06/70/485260670.db2.gz LWVDNZCIGXMLAQ-RAIGVLPGSA-N -1 0 358.416 -0.561 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000567617498 485261896 /nfs/dbraw/zinc/26/18/96/485261896.db2.gz LWVDNZCIGXMLAQ-RTXFEEFZSA-N -1 0 358.416 -0.561 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000567617499 485261591 /nfs/dbraw/zinc/26/15/91/485261591.db2.gz LWVDNZCIGXMLAQ-WXHSDQCUSA-N -1 0 358.416 -0.561 20 0 FBADRM Cn1nc(CC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC000567662550 485262764 /nfs/dbraw/zinc/26/27/64/485262764.db2.gz OLPWJDAUHDVMIW-CYBMUJFWSA-N -1 0 351.384 -0.174 20 0 FBADRM Cn1nc(CC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000567662551 485263174 /nfs/dbraw/zinc/26/31/74/485263174.db2.gz OLPWJDAUHDVMIW-ZDUSSCGKSA-N -1 0 351.384 -0.174 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)nn1 ZINC000567680593 485262880 /nfs/dbraw/zinc/26/28/80/485262880.db2.gz UXCBCLPHAIGAIM-LLVKDONJSA-N -1 0 353.404 -0.457 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@H]2C(=O)N2CCSCC2)nn1 ZINC000567680594 485262977 /nfs/dbraw/zinc/26/29/77/485262977.db2.gz UXCBCLPHAIGAIM-NSHDSACASA-N -1 0 353.404 -0.457 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000567687564 485263112 /nfs/dbraw/zinc/26/31/12/485263112.db2.gz WCDVOIKZVZIQGH-AWEZNQCLSA-N -1 0 367.387 -0.226 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000567687565 485262770 /nfs/dbraw/zinc/26/27/70/485262770.db2.gz WCDVOIKZVZIQGH-CQSZACIVSA-N -1 0 367.387 -0.226 20 0 FBADRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)[C@H]1CCCOC1 ZINC000567691170 485262955 /nfs/dbraw/zinc/26/29/55/485262955.db2.gz QTEZYGZASWJCJE-GWCFXTLKSA-N -1 0 367.387 -0.180 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)[C@H]1CCCOC1 ZINC000567691171 485262951 /nfs/dbraw/zinc/26/29/51/485262951.db2.gz QTEZYGZASWJCJE-GXFFZTMASA-N -1 0 367.387 -0.180 20 0 FBADRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)[C@@H]1CCCOC1 ZINC000567691172 485262684 /nfs/dbraw/zinc/26/26/84/485262684.db2.gz QTEZYGZASWJCJE-MFKMUULPSA-N -1 0 367.387 -0.180 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)[C@@H]1CCCOC1 ZINC000567691173 485262964 /nfs/dbraw/zinc/26/29/64/485262964.db2.gz QTEZYGZASWJCJE-ZWNOBZJWSA-N -1 0 367.387 -0.180 20 0 FBADRM Cn1nccc1[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C(=O)[O-] ZINC000567692630 485262851 /nfs/dbraw/zinc/26/28/51/485262851.db2.gz ZBBMGICQTKAHNE-CYBMUJFWSA-N -1 0 364.383 -0.190 20 0 FBADRM Cn1nccc1[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C(=O)[O-] ZINC000567692631 485263094 /nfs/dbraw/zinc/26/30/94/485263094.db2.gz ZBBMGICQTKAHNE-ZDUSSCGKSA-N -1 0 364.383 -0.190 20 0 FBADRM COCC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1 ZINC000567723939 485264549 /nfs/dbraw/zinc/26/45/49/485264549.db2.gz GAHJZXMUWSQAEO-GFCCVEGCSA-N -1 0 355.391 -0.983 20 0 FBADRM COCC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC1 ZINC000567723940 485264031 /nfs/dbraw/zinc/26/40/31/485264031.db2.gz GAHJZXMUWSQAEO-LBPRGKRZSA-N -1 0 355.391 -0.983 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NC[C@H]2CS(=O)(=O)CCO2)c1 ZINC000567726454 485264165 /nfs/dbraw/zinc/26/41/65/485264165.db2.gz FKDNRWZIFSFIHJ-AMXDTQDGSA-N -1 0 361.441 -0.267 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NC[C@@H]2CS(=O)(=O)CCO2)c1 ZINC000567726455 485264153 /nfs/dbraw/zinc/26/41/53/485264153.db2.gz FKDNRWZIFSFIHJ-IPQOISQHSA-N -1 0 361.441 -0.267 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NC[C@@H]2CS(=O)(=O)CCO2)c1 ZINC000567726456 485264586 /nfs/dbraw/zinc/26/45/86/485264586.db2.gz FKDNRWZIFSFIHJ-VERVWZFWSA-N -1 0 361.441 -0.267 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NC[C@H]2CS(=O)(=O)CCO2)c1 ZINC000567726457 485263840 /nfs/dbraw/zinc/26/38/40/485263840.db2.gz FKDNRWZIFSFIHJ-YTEVENLXSA-N -1 0 361.441 -0.267 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cn1C ZINC000567726762 485264268 /nfs/dbraw/zinc/26/42/68/485264268.db2.gz VZWLCIIOFDNBFT-LLVKDONJSA-N -1 0 356.360 -0.351 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccnn2C)cn1C ZINC000567726763 485264236 /nfs/dbraw/zinc/26/42/36/485264236.db2.gz VZWLCIIOFDNBFT-NSHDSACASA-N -1 0 356.360 -0.351 20 0 FBADRM CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)CCCCCC(=O)[O-])C1 ZINC000567730757 485263921 /nfs/dbraw/zinc/26/39/21/485263921.db2.gz SBHOEYMIDXEUCV-LLVKDONJSA-N -1 0 356.466 -0.025 20 0 FBADRM CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)CCCCCC(=O)[O-])C1 ZINC000567730758 485264626 /nfs/dbraw/zinc/26/46/26/485264626.db2.gz SBHOEYMIDXEUCV-NSHDSACASA-N -1 0 356.466 -0.025 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000567730802 485264258 /nfs/dbraw/zinc/26/42/58/485264258.db2.gz VOZYSSMCYRSGHJ-GHMZBOCLSA-N -1 0 369.465 -0.959 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000567730803 485264355 /nfs/dbraw/zinc/26/43/55/485264355.db2.gz VOZYSSMCYRSGHJ-WDEREUQCSA-N -1 0 369.465 -0.959 20 0 FBADRM CO[C@@H]1CCN(C(=O)CNS(=O)(=O)CCOC(C)C)[C@H](C(=O)[O-])C1 ZINC000567754414 485264939 /nfs/dbraw/zinc/26/49/39/485264939.db2.gz XHOPOOGUWBCHCH-NEPJUHHUSA-N -1 0 366.436 -0.579 20 0 FBADRM CO[C@H]1CCN(C(=O)CNS(=O)(=O)CCOC(C)C)[C@@H](C(=O)[O-])C1 ZINC000567754415 485265065 /nfs/dbraw/zinc/26/50/65/485265065.db2.gz XHOPOOGUWBCHCH-NWDGAFQWSA-N -1 0 366.436 -0.579 20 0 FBADRM CO[C@H]1CCN(C(=O)CNS(=O)(=O)CCOC(C)C)[C@H](C(=O)[O-])C1 ZINC000567754416 485265588 /nfs/dbraw/zinc/26/55/88/485265588.db2.gz XHOPOOGUWBCHCH-RYUDHWBXSA-N -1 0 366.436 -0.579 20 0 FBADRM CO[C@@H]1CCN(C(=O)CNS(=O)(=O)CCOC(C)C)[C@@H](C(=O)[O-])C1 ZINC000567754417 485265466 /nfs/dbraw/zinc/26/54/66/485265466.db2.gz XHOPOOGUWBCHCH-VXGBXAGGSA-N -1 0 366.436 -0.579 20 0 FBADRM O=C([O-])C1(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)CCOCC1 ZINC000567754572 485265239 /nfs/dbraw/zinc/26/52/39/485265239.db2.gz CTILNMOTFDMLOI-UHFFFAOYSA-N -1 0 353.360 -0.426 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000567793001 485266615 /nfs/dbraw/zinc/26/66/15/485266615.db2.gz WOAOTQQOLPIKQU-BDAKNGLRSA-N -1 0 366.421 -0.753 20 0 FBADRM CS(=O)(=O)N[C@H]1CCCC[C@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000567793002 485266158 /nfs/dbraw/zinc/26/61/58/485266158.db2.gz WOAOTQQOLPIKQU-DTWKUNHWSA-N -1 0 366.421 -0.753 20 0 FBADRM CS(=O)(=O)N[C@H]1CCCC[C@@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000567793003 485266101 /nfs/dbraw/zinc/26/61/01/485266101.db2.gz WOAOTQQOLPIKQU-IUCAKERBSA-N -1 0 366.421 -0.753 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000567793004 485266510 /nfs/dbraw/zinc/26/65/10/485266510.db2.gz WOAOTQQOLPIKQU-RKDXNWHRSA-N -1 0 366.421 -0.753 20 0 FBADRM Cc1nc(C)n(C[C@@H]2CN(S(=O)(=O)c3n[nH]cc3C(=O)[O-])CCO2)n1 ZINC000567793698 485266681 /nfs/dbraw/zinc/26/66/81/485266681.db2.gz BPEBLWVFCFBDGM-JTQLQIEISA-N -1 0 370.391 -0.594 20 0 FBADRM Cc1nc(C)n(C[C@H]2CN(S(=O)(=O)c3n[nH]cc3C(=O)[O-])CCO2)n1 ZINC000567793699 485266010 /nfs/dbraw/zinc/26/60/10/485266010.db2.gz BPEBLWVFCFBDGM-SNVBAGLBSA-N -1 0 370.391 -0.594 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000567793956 485266195 /nfs/dbraw/zinc/26/61/95/485266195.db2.gz KXOBWZWCZCDMHK-SECBINFHSA-N -1 0 363.417 -0.518 20 0 FBADRM CCN(C1CCN(S(=O)(=O)CCCC(=O)[O-])CC1)S(C)(=O)=O ZINC000567797945 485266202 /nfs/dbraw/zinc/26/62/02/485266202.db2.gz FTIXKQYFMXNAJW-UHFFFAOYSA-N -1 0 356.466 -0.073 20 0 FBADRM Cc1ncc(S(=O)(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000567798235 485266591 /nfs/dbraw/zinc/26/65/91/485266591.db2.gz LOUMZHWHUWADHR-SECBINFHSA-N -1 0 363.417 -0.600 20 0 FBADRM Cc1ncc(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000567798236 485266329 /nfs/dbraw/zinc/26/63/29/485266329.db2.gz LOUMZHWHUWADHR-VIFPVBQESA-N -1 0 363.417 -0.600 20 0 FBADRM CCN([C@H](C)CS(=O)(=O)CC)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000567798900 485266807 /nfs/dbraw/zinc/26/68/07/485266807.db2.gz WYNHWKAESOCCQK-GHMZBOCLSA-N -1 0 356.466 -0.075 20 0 FBADRM CCN([C@H](C)CS(=O)(=O)CC)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000567798901 485266139 /nfs/dbraw/zinc/26/61/39/485266139.db2.gz WYNHWKAESOCCQK-MNOVXSKESA-N -1 0 356.466 -0.075 20 0 FBADRM CCN([C@@H](C)CS(=O)(=O)CC)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000567798902 485266392 /nfs/dbraw/zinc/26/63/92/485266392.db2.gz WYNHWKAESOCCQK-QWRGUYRKSA-N -1 0 356.466 -0.075 20 0 FBADRM CCN([C@@H](C)CS(=O)(=O)CC)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000567798903 485266564 /nfs/dbraw/zinc/26/65/64/485266564.db2.gz WYNHWKAESOCCQK-WDEREUQCSA-N -1 0 356.466 -0.075 20 0 FBADRM O=C([O-])C[C@@H]1CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CCO1 ZINC000567800525 485266228 /nfs/dbraw/zinc/26/62/28/485266228.db2.gz UKTFGERJWGXQRP-LLVKDONJSA-N -1 0 353.360 -0.474 20 0 FBADRM O=C([O-])C[C@H]1CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CCO1 ZINC000567800526 485266636 /nfs/dbraw/zinc/26/66/36/485266636.db2.gz UKTFGERJWGXQRP-NSHDSACASA-N -1 0 353.360 -0.474 20 0 FBADRM CS(=O)(=O)N1CCC(NS(=O)(=O)c2cccnc2C(=O)[O-])CC1 ZINC000567802391 485266552 /nfs/dbraw/zinc/26/65/52/485266552.db2.gz WRCKHJYOKSAFFP-UHFFFAOYSA-N -1 0 363.417 -0.518 20 0 FBADRM CCS(=O)(=O)N(C)CCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000567802416 485266408 /nfs/dbraw/zinc/26/64/08/485266408.db2.gz XRTDTODLRKJCHG-UHFFFAOYSA-N -1 0 353.422 -0.337 20 0 FBADRM CS(=O)(=O)N1CCC(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000567805473 485266122 /nfs/dbraw/zinc/26/61/22/485266122.db2.gz FYLNMWDXAMTPGU-UHFFFAOYSA-N -1 0 366.417 -0.072 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@H](CC2CC2)C(=O)[O-])CC1 ZINC000567808678 485266690 /nfs/dbraw/zinc/26/66/90/485266690.db2.gz YXWRKESHTBLGDG-GFCCVEGCSA-N -1 0 368.477 -0.169 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](CF)C(=O)[O-] ZINC000567808684 485266531 /nfs/dbraw/zinc/26/65/31/485266531.db2.gz ZBWBCTQCYKWTBV-MRVPVSSYSA-N -1 0 354.381 -0.362 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](CF)C(=O)[O-] ZINC000567808685 485266282 /nfs/dbraw/zinc/26/62/82/485266282.db2.gz ZBWBCTQCYKWTBV-QMMMGPOBSA-N -1 0 354.381 -0.362 20 0 FBADRM COC[C@@H](NS(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000567809046 485266539 /nfs/dbraw/zinc/26/65/39/485266539.db2.gz HFTGPROBSSXAJR-LLVKDONJSA-N -1 0 351.402 -0.391 20 0 FBADRM COC[C@H](NS(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000567809047 485266440 /nfs/dbraw/zinc/26/64/40/485266440.db2.gz HFTGPROBSSXAJR-NSHDSACASA-N -1 0 351.402 -0.391 20 0 FBADRM COC[C@@](C)(NS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000567809532 485267534 /nfs/dbraw/zinc/26/75/34/485267534.db2.gz XHBKVIQMQLKRMB-GFCCVEGCSA-N -1 0 351.402 -0.142 20 0 FBADRM COC[C@](C)(NS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000567809533 485267439 /nfs/dbraw/zinc/26/74/39/485267439.db2.gz XHBKVIQMQLKRMB-LBPRGKRZSA-N -1 0 351.402 -0.142 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1C[C@@H](OC)C[C@@H]1CC(=O)[O-] ZINC000567809569 485267829 /nfs/dbraw/zinc/26/78/29/485267829.db2.gz YNDGVXKWYPMNLA-NEPJUHHUSA-N -1 0 354.425 -0.610 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1C[C@H](OC)C[C@H]1CC(=O)[O-] ZINC000567809570 485267503 /nfs/dbraw/zinc/26/75/03/485267503.db2.gz YNDGVXKWYPMNLA-NWDGAFQWSA-N -1 0 354.425 -0.610 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1C[C@@H](OC)C[C@H]1CC(=O)[O-] ZINC000567809571 485267409 /nfs/dbraw/zinc/26/74/09/485267409.db2.gz YNDGVXKWYPMNLA-RYUDHWBXSA-N -1 0 354.425 -0.610 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1C[C@H](OC)C[C@@H]1CC(=O)[O-] ZINC000567809572 485267825 /nfs/dbraw/zinc/26/78/25/485267825.db2.gz YNDGVXKWYPMNLA-VXGBXAGGSA-N -1 0 354.425 -0.610 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000567811183 485267679 /nfs/dbraw/zinc/26/76/79/485267679.db2.gz WGDRUJYOGIZULW-UHFFFAOYSA-N -1 0 356.447 -0.262 20 0 FBADRM O=C(CNS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)N1CC[NH2+]CC1 ZINC000567850847 485268252 /nfs/dbraw/zinc/26/82/52/485268252.db2.gz QUXGEDZFHGNHDH-UHFFFAOYSA-N -1 0 370.406 -0.580 20 0 FBADRM O=C(CNS(=O)(=O)c1ccc(Br)o1)N1CC[NH2+]CC1 ZINC000567851734 485268446 /nfs/dbraw/zinc/26/84/46/485268446.db2.gz ZREAJWSYNXSBNN-UHFFFAOYSA-N -1 0 352.210 -0.248 20 0 FBADRM CN(C)c1nccc(N2CCN(C(=O)c3cnc(C(=O)[O-])cn3)CC2)n1 ZINC000567863096 485269774 /nfs/dbraw/zinc/26/97/74/485269774.db2.gz AJEBBIIMOZFOJE-UHFFFAOYSA-N -1 0 357.374 -0.007 20 0 FBADRM C[C@@H]1CN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1C(=O)[O-] ZINC000567864129 485269869 /nfs/dbraw/zinc/26/98/69/485269869.db2.gz MZIMXMYRPRXSTO-NXEZZACHSA-N -1 0 363.374 -0.997 20 0 FBADRM CCc1ccc(NC(=O)C(=O)N[C@H](CC)C(=O)[O-])cc1S(N)(=O)=O ZINC000567865691 485269286 /nfs/dbraw/zinc/26/92/86/485269286.db2.gz CIVPCFGWILESEI-SNVBAGLBSA-N -1 0 357.388 -0.186 20 0 FBADRM COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)NCCCC(=O)[O-] ZINC000567865823 485270202 /nfs/dbraw/zinc/27/02/02/485270202.db2.gz GJPGUXKQEXFDEC-UHFFFAOYSA-N -1 0 373.387 -0.014 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000567865843 485269834 /nfs/dbraw/zinc/26/98/34/485269834.db2.gz GSPYGWJELCIDSY-GFCCVEGCSA-N -1 0 369.399 -0.137 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000567865844 485269921 /nfs/dbraw/zinc/26/99/21/485269921.db2.gz GSPYGWJELCIDSY-LBPRGKRZSA-N -1 0 369.399 -0.137 20 0 FBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000567866183 485269985 /nfs/dbraw/zinc/26/99/85/485269985.db2.gz PYHCDFLCGJJMQT-GFCCVEGCSA-N -1 0 369.399 -0.137 20 0 FBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000567866184 485269474 /nfs/dbraw/zinc/26/94/74/485269474.db2.gz PYHCDFLCGJJMQT-LBPRGKRZSA-N -1 0 369.399 -0.137 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCC(=O)[O-])c1 ZINC000567867392 485270255 /nfs/dbraw/zinc/27/02/55/485270255.db2.gz OCZNBJATUXTXMF-UHFFFAOYSA-N -1 0 357.388 -0.144 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000567868260 485270102 /nfs/dbraw/zinc/27/01/02/485270102.db2.gz DBAJAZPEYIKLRW-LLVKDONJSA-N -1 0 355.372 -0.397 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000567868261 485270000 /nfs/dbraw/zinc/27/00/00/485270000.db2.gz DBAJAZPEYIKLRW-NSHDSACASA-N -1 0 355.372 -0.397 20 0 FBADRM NC(=O)N[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1 ZINC000567876289 485269373 /nfs/dbraw/zinc/26/93/73/485269373.db2.gz QCHISGDKBHAREO-MCIONIFRSA-N -1 0 374.397 -0.418 20 0 FBADRM NC(=O)N[C@H]1CCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1 ZINC000567876290 485269274 /nfs/dbraw/zinc/26/92/74/485269274.db2.gz QCHISGDKBHAREO-MJBXVCDLSA-N -1 0 374.397 -0.418 20 0 FBADRM COCCc1noc(CN(C)C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000567876891 485269385 /nfs/dbraw/zinc/26/93/85/485269385.db2.gz BGFIUFXCYAXYBZ-GHMZBOCLSA-N -1 0 368.390 -0.214 20 0 FBADRM COCCc1noc(CN(C)C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000567876892 485270155 /nfs/dbraw/zinc/27/01/55/485270155.db2.gz BGFIUFXCYAXYBZ-MNOVXSKESA-N -1 0 368.390 -0.214 20 0 FBADRM COCCc1noc(CN(C)C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000567876893 485269738 /nfs/dbraw/zinc/26/97/38/485269738.db2.gz BGFIUFXCYAXYBZ-QWRGUYRKSA-N -1 0 368.390 -0.214 20 0 FBADRM COCCc1noc(CN(C)C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000567876894 485271218 /nfs/dbraw/zinc/27/12/18/485271218.db2.gz BGFIUFXCYAXYBZ-WDEREUQCSA-N -1 0 368.390 -0.214 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cn1C ZINC000567878867 485270872 /nfs/dbraw/zinc/27/08/72/485270872.db2.gz GZWADMKEMBQYOI-CMPLNLGQSA-N -1 0 372.447 -0.034 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cn1C ZINC000567878868 485270621 /nfs/dbraw/zinc/27/06/21/485270621.db2.gz GZWADMKEMBQYOI-JQWIXIFHSA-N -1 0 372.447 -0.034 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cn1C ZINC000567878869 485270724 /nfs/dbraw/zinc/27/07/24/485270724.db2.gz GZWADMKEMBQYOI-PWSUYJOCSA-N -1 0 372.447 -0.034 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cn1C ZINC000567878870 485271393 /nfs/dbraw/zinc/27/13/93/485271393.db2.gz GZWADMKEMBQYOI-ZYHUDNBSSA-N -1 0 372.447 -0.034 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N(CCC(=O)[O-])C2CCOCC2)cn1 ZINC000567879265 485271264 /nfs/dbraw/zinc/27/12/64/485271264.db2.gz PDPSBJSDJKCVPC-UHFFFAOYSA-N -1 0 374.419 -0.819 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCCCC(=O)[O-])CCN1C(=O)c1cscn1 ZINC000567881296 485270683 /nfs/dbraw/zinc/27/06/83/485270683.db2.gz VTPMAIOTBRNSFL-JTQLQIEISA-N -1 0 368.415 -0.203 20 0 FBADRM CC(=O)NCCN(C)S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000567882241 485271002 /nfs/dbraw/zinc/27/10/02/485271002.db2.gz MQWLNIRLHQKCAY-UHFFFAOYSA-N -1 0 358.372 -0.087 20 0 FBADRM CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NCC(=O)[O-] ZINC000567885565 485270698 /nfs/dbraw/zinc/27/06/98/485270698.db2.gz ZFNHTGHLSOLLPZ-UHFFFAOYSA-N -1 0 357.344 -0.954 20 0 FBADRM C[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ncc(C(=O)[O-])s1 ZINC000567885762 485271191 /nfs/dbraw/zinc/27/11/91/485271191.db2.gz BTTKEWNHRZFKRD-LURJTMIESA-N -1 0 374.400 -0.722 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ncc(C(=O)[O-])s1 ZINC000567885763 485271132 /nfs/dbraw/zinc/27/11/32/485271132.db2.gz BTTKEWNHRZFKRD-ZCFIWIBFSA-N -1 0 374.400 -0.722 20 0 FBADRM Cn1cnc(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)n1 ZINC000567886516 485271384 /nfs/dbraw/zinc/27/13/84/485271384.db2.gz QJGLKKOGMYMFJT-OLZOCXBDSA-N -1 0 357.370 -0.242 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000567887229 485270823 /nfs/dbraw/zinc/27/08/23/485270823.db2.gz FNJJMXWHRDESSL-CYBMUJFWSA-N -1 0 362.386 -0.330 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000567887230 485271125 /nfs/dbraw/zinc/27/11/25/485271125.db2.gz FNJJMXWHRDESSL-ZDUSSCGKSA-N -1 0 362.386 -0.330 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CCC2)C[C@@H]1C(=O)[O-] ZINC000567887540 485271362 /nfs/dbraw/zinc/27/13/62/485271362.db2.gz MOOYSEFWLBRPRX-NEPJUHHUSA-N -1 0 374.459 -0.113 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CCC2)C[C@H]1C(=O)[O-] ZINC000567887541 485271159 /nfs/dbraw/zinc/27/11/59/485271159.db2.gz MOOYSEFWLBRPRX-NWDGAFQWSA-N -1 0 374.459 -0.113 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CCC2)C[C@@H]1C(=O)[O-] ZINC000567887542 485271223 /nfs/dbraw/zinc/27/12/23/485271223.db2.gz MOOYSEFWLBRPRX-RYUDHWBXSA-N -1 0 374.459 -0.113 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CCC2)C[C@H]1C(=O)[O-] ZINC000567887543 485271331 /nfs/dbraw/zinc/27/13/31/485271331.db2.gz MOOYSEFWLBRPRX-VXGBXAGGSA-N -1 0 374.459 -0.113 20 0 FBADRM C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NCC(=O)[O-])C1=O ZINC000567891661 485272279 /nfs/dbraw/zinc/27/22/79/485272279.db2.gz ODICTUUXPIFILU-INIZCTEOSA-N -1 0 363.326 -0.531 20 0 FBADRM C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NCC(=O)[O-])C1=O ZINC000567891662 485272062 /nfs/dbraw/zinc/27/20/62/485272062.db2.gz ODICTUUXPIFILU-MRXNPFEDSA-N -1 0 363.326 -0.531 20 0 FBADRM CCN1CCN(C(=O)CNC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CC1 ZINC000567967320 485274158 /nfs/dbraw/zinc/27/41/58/485274158.db2.gz KDFIOPHLEXJJJS-UHFFFAOYSA-N -1 0 359.386 -0.076 20 0 FBADRM O=C([O-])C1(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CCOCC1 ZINC000567967596 485274331 /nfs/dbraw/zinc/27/43/31/485274331.db2.gz QITNLVWSOTUAJE-CYBMUJFWSA-N -1 0 354.403 -0.035 20 0 FBADRM O=C([O-])C1(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CCOCC1 ZINC000567967597 485274115 /nfs/dbraw/zinc/27/41/15/485274115.db2.gz QITNLVWSOTUAJE-ZDUSSCGKSA-N -1 0 354.403 -0.035 20 0 FBADRM CCCc1nc(=NC(=O)N2CCN(CC(=O)NCCOC)CC2)s[n-]1 ZINC000567968714 485273829 /nfs/dbraw/zinc/27/38/29/485273829.db2.gz WTGFTBAGZGOMKA-UHFFFAOYSA-N -1 0 370.479 -0.175 20 0 FBADRM O=C([O-])C1(C(=O)NCCNS(=O)(=O)c2ccccc2)CCOCC1 ZINC000567969959 485273836 /nfs/dbraw/zinc/27/38/36/485273836.db2.gz BHRFAYFANVRZSK-UHFFFAOYSA-N -1 0 356.400 -0.038 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C(C)(C)C(=O)[O-])c1 ZINC000567971488 485273805 /nfs/dbraw/zinc/27/38/05/485273805.db2.gz HMQNKUFAKPGIOB-UHFFFAOYSA-N -1 0 357.388 -0.240 20 0 FBADRM O=C(CNS(=O)(=O)c1cccnc1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000567976098 485274463 /nfs/dbraw/zinc/27/44/63/485274463.db2.gz GWMLPMIRICYWPJ-UHFFFAOYSA-N -1 0 366.403 -0.410 20 0 FBADRM O=C([O-])c1cnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)nc1 ZINC000567978147 485274896 /nfs/dbraw/zinc/27/48/96/485274896.db2.gz YYGQGNYYZMMYHJ-UHFFFAOYSA-N -1 0 353.360 -0.185 20 0 FBADRM C[C@H](CN(C)c1ccc(S(N)(=O)=O)cc1S(C)(=O)=O)C(=O)[O-] ZINC000567983651 485275087 /nfs/dbraw/zinc/27/50/87/485275087.db2.gz MNTLJTBKWVEFLR-MRVPVSSYSA-N -1 0 350.418 -0.106 20 0 FBADRM C[C@@H](CN(C)c1ccc(S(N)(=O)=O)cc1S(C)(=O)=O)C(=O)[O-] ZINC000567983652 485274882 /nfs/dbraw/zinc/27/48/82/485274882.db2.gz MNTLJTBKWVEFLR-QMMMGPOBSA-N -1 0 350.418 -0.106 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)C1 ZINC000567983976 485275519 /nfs/dbraw/zinc/27/55/19/485275519.db2.gz ABPZFFVPYQANLR-HNNXBMFYSA-N -1 0 351.363 -0.310 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)C1 ZINC000567983977 485274947 /nfs/dbraw/zinc/27/49/47/485274947.db2.gz ABPZFFVPYQANLR-OAHLLOKOSA-N -1 0 351.363 -0.310 20 0 FBADRM Cn1c(NCCc2ccc(OCC(=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000567984213 484482702 /nfs/dbraw/zinc/48/27/02/484482702.db2.gz DSUNEZJYLNCWQC-UHFFFAOYSA-N -1 0 373.369 0.491 20 0 FBADRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)NCCNS(C)(=O)=O)C(=O)[O-])C1 ZINC000567986458 485275137 /nfs/dbraw/zinc/27/51/37/485275137.db2.gz SIDTUYVTZFRBRY-AXFHLTTASA-N -1 0 351.425 -0.507 20 0 FBADRM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)NCCNS(C)(=O)=O)C(=O)[O-])C1 ZINC000567986459 485274876 /nfs/dbraw/zinc/27/48/76/485274876.db2.gz SIDTUYVTZFRBRY-GMTAPVOTSA-N -1 0 351.425 -0.507 20 0 FBADRM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)NCCNS(C)(=O)=O)C(=O)[O-])C1 ZINC000567986460 485275321 /nfs/dbraw/zinc/27/53/21/485275321.db2.gz SIDTUYVTZFRBRY-HBNTYKKESA-N -1 0 351.425 -0.507 20 0 FBADRM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)NCCNS(C)(=O)=O)C(=O)[O-])C1 ZINC000567986461 485275476 /nfs/dbraw/zinc/27/54/76/485275476.db2.gz SIDTUYVTZFRBRY-MXWKQRLJSA-N -1 0 351.425 -0.507 20 0 FBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000567988224 485275403 /nfs/dbraw/zinc/27/54/03/485275403.db2.gz ZKSHIEVJHOOTDV-ADEWGFFLSA-N -1 0 360.432 -0.505 20 0 FBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000567988225 485275432 /nfs/dbraw/zinc/27/54/32/485275432.db2.gz ZKSHIEVJHOOTDV-ZMLRMANQSA-N -1 0 360.432 -0.505 20 0 FBADRM COCCN(C(C)=O)c1nc(CN2CCN(C(=O)C(=O)[O-])CC2)cs1 ZINC000567988779 485274864 /nfs/dbraw/zinc/27/48/64/485274864.db2.gz OEGATQHPSMZLTM-UHFFFAOYSA-N -1 0 370.431 -0.129 20 0 FBADRM COc1cc(NC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)cc(OC)c1 ZINC000567989013 485275373 /nfs/dbraw/zinc/27/53/73/485275373.db2.gz VRFPRCAWXLUTFM-UHFFFAOYSA-N -1 0 351.359 -0.129 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]c1ccccc1C(=O)NCCC(N)=O ZINC000567998531 485275224 /nfs/dbraw/zinc/27/52/24/485275224.db2.gz RPZNFQUJOPWZED-UHFFFAOYSA-N -1 0 358.420 -0.473 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H](Cc1c[nH]c2cccnc12)C(=O)[O-] ZINC000568001528 485275547 /nfs/dbraw/zinc/27/55/47/485275547.db2.gz AGARDUUUNYCNJR-BXKDBHETSA-N -1 0 368.415 -0.045 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](Cc1c[nH]c2cccnc12)C(=O)[O-] ZINC000568001529 485275559 /nfs/dbraw/zinc/27/55/59/485275559.db2.gz AGARDUUUNYCNJR-CABZTGNLSA-N -1 0 368.415 -0.045 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@H](Cc1c[nH]c2cccnc12)C(=O)[O-] ZINC000568001530 485275666 /nfs/dbraw/zinc/27/56/66/485275666.db2.gz AGARDUUUNYCNJR-JOYOIKCWSA-N -1 0 368.415 -0.045 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](Cc1c[nH]c2cccnc12)C(=O)[O-] ZINC000568001531 485275015 /nfs/dbraw/zinc/27/50/15/485275015.db2.gz AGARDUUUNYCNJR-SKDRFNHKSA-N -1 0 368.415 -0.045 20 0 FBADRM C[C@@H]1C[C@H](S(=O)(=O)N2CC[C@@H](N3C[C@H](C(=O)[O-])CC3=O)C2)CCO1 ZINC000568001596 485275654 /nfs/dbraw/zinc/27/56/54/485275654.db2.gz BYJLASHQYQBWLG-FDYHWXHSSA-N -1 0 360.432 -0.109 20 0 FBADRM C[C@@H]1C[C@H](S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)[O-])CC3=O)C2)CCO1 ZINC000568001597 485275502 /nfs/dbraw/zinc/27/55/02/485275502.db2.gz BYJLASHQYQBWLG-FVCCEPFGSA-N -1 0 360.432 -0.109 20 0 FBADRM C[C@@H]1C[C@H](S(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)CCO1 ZINC000568001598 485274952 /nfs/dbraw/zinc/27/49/52/485274952.db2.gz BYJLASHQYQBWLG-MROQNXINSA-N -1 0 360.432 -0.109 20 0 FBADRM C[C@@H]1C[C@H](S(=O)(=O)N2CC[C@@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)CCO1 ZINC000568001599 485275458 /nfs/dbraw/zinc/27/54/58/485275458.db2.gz BYJLASHQYQBWLG-YVECIDJPSA-N -1 0 360.432 -0.109 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000568001662 485275498 /nfs/dbraw/zinc/27/54/98/485275498.db2.gz DROPWYHYJDHACZ-GFCCVEGCSA-N -1 0 368.477 -0.169 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000568001663 485275675 /nfs/dbraw/zinc/27/56/75/485275675.db2.gz DROPWYHYJDHACZ-LBPRGKRZSA-N -1 0 368.477 -0.169 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])s1 ZINC000568001895 485275586 /nfs/dbraw/zinc/27/55/86/485275586.db2.gz KSHCJRGQVRNDQA-MRVPVSSYSA-N -1 0 359.389 -0.201 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])s1 ZINC000568001896 485275025 /nfs/dbraw/zinc/27/50/25/485275025.db2.gz KSHCJRGQVRNDQA-QMMMGPOBSA-N -1 0 359.389 -0.201 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000568008239 485276348 /nfs/dbraw/zinc/27/63/48/485276348.db2.gz QUXCDSQWYGFIKC-LLVKDONJSA-N -1 0 362.429 -0.245 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000568008240 485276277 /nfs/dbraw/zinc/27/62/77/485276277.db2.gz QUXCDSQWYGFIKC-NSHDSACASA-N -1 0 362.429 -0.245 20 0 FBADRM CO[C@H](C)c1nc(=NC(=O)CNS(=O)(=O)CCOC(C)C)s[n-]1 ZINC000568038363 485278547 /nfs/dbraw/zinc/27/85/47/485278547.db2.gz ZUCKPPLTKBQHBZ-SECBINFHSA-N -1 0 366.465 -0.050 20 0 FBADRM CO[C@@H](C)c1nc(=NC(=O)CNS(=O)(=O)CCOC(C)C)s[n-]1 ZINC000568038364 485278665 /nfs/dbraw/zinc/27/86/65/485278665.db2.gz ZUCKPPLTKBQHBZ-VIFPVBQESA-N -1 0 366.465 -0.050 20 0 FBADRM Cc1oc(C(=O)[O-])cc1CN1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000568059750 485279509 /nfs/dbraw/zinc/27/95/09/485279509.db2.gz KKORSHXBXXZAOX-UHFFFAOYSA-N -1 0 373.431 -0.019 20 0 FBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000568084300 485279962 /nfs/dbraw/zinc/27/99/62/485279962.db2.gz ILMJKBVDXUAXMN-LURJTMIESA-N -1 0 355.415 -0.080 20 0 FBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000568084301 485279679 /nfs/dbraw/zinc/27/96/79/485279679.db2.gz ILMJKBVDXUAXMN-ZCFIWIBFSA-N -1 0 355.415 -0.080 20 0 FBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000568087779 485279695 /nfs/dbraw/zinc/27/96/95/485279695.db2.gz UYMKKNRNOBYMBM-MNOVXSKESA-N -1 0 356.404 -0.401 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C[C@H]1C(=O)[O-] ZINC000568089451 485280329 /nfs/dbraw/zinc/28/03/29/485280329.db2.gz YBMAGRUYXZMUOI-PSASIEDQSA-N -1 0 367.383 -0.052 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C[C@@H]1C(=O)[O-] ZINC000568089452 485280920 /nfs/dbraw/zinc/28/09/20/485280920.db2.gz YBMAGRUYXZMUOI-SCZZXKLOSA-N -1 0 367.383 -0.052 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C[C@H]1C(=O)[O-] ZINC000568089453 485281109 /nfs/dbraw/zinc/28/11/09/485281109.db2.gz YBMAGRUYXZMUOI-WCBMZHEXSA-N -1 0 367.383 -0.052 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C[C@@H]1C(=O)[O-] ZINC000568089454 485281076 /nfs/dbraw/zinc/28/10/76/485281076.db2.gz YBMAGRUYXZMUOI-WPRPVWTQSA-N -1 0 367.383 -0.052 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NCCN1CCCC1=O ZINC000568122381 485281877 /nfs/dbraw/zinc/28/18/77/485281877.db2.gz OAYSRURPRXULGG-UHFFFAOYSA-N -1 0 361.370 -0.018 20 0 FBADRM CCN(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@@H]1CCNC1=O ZINC000568148623 485282945 /nfs/dbraw/zinc/28/29/45/485282945.db2.gz FJOVISBOKJZVHP-LLVKDONJSA-N -1 0 361.370 -0.020 20 0 FBADRM CCN(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@H]1CCNC1=O ZINC000568148624 485283948 /nfs/dbraw/zinc/28/39/48/485283948.db2.gz FJOVISBOKJZVHP-NSHDSACASA-N -1 0 361.370 -0.020 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@]2(C(N)=O)CCOC2)c1 ZINC000568224136 485286329 /nfs/dbraw/zinc/28/63/29/485286329.db2.gz FJXPSVOXHSZTLQ-AWEZNQCLSA-N -1 0 357.388 -0.983 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@]2(C(N)=O)CCOC2)c1 ZINC000568224137 485286286 /nfs/dbraw/zinc/28/62/86/485286286.db2.gz FJXPSVOXHSZTLQ-CQSZACIVSA-N -1 0 357.388 -0.983 20 0 FBADRM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)NCCF ZINC000568244882 485286203 /nfs/dbraw/zinc/28/62/03/485286203.db2.gz JMIHGDQQWDBUOX-MRVPVSSYSA-N -1 0 367.349 -0.167 20 0 FBADRM C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)NCCF ZINC000568244883 485286253 /nfs/dbraw/zinc/28/62/53/485286253.db2.gz JMIHGDQQWDBUOX-QMMMGPOBSA-N -1 0 367.349 -0.167 20 0 FBADRM CCn1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NCCO)cc2)cn1 ZINC000568252540 485286702 /nfs/dbraw/zinc/28/67/02/485286702.db2.gz WKLGGDWQTIMMGM-UHFFFAOYSA-N -1 0 374.444 -0.026 20 0 FBADRM O=C([O-])[C@@H](O)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000568258647 485287353 /nfs/dbraw/zinc/28/73/53/485287353.db2.gz OUPHLDNYHIOYKF-GWCFXTLKSA-N -1 0 367.387 -0.492 20 0 FBADRM O=C([O-])[C@H](O)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000568258648 485287239 /nfs/dbraw/zinc/28/72/39/485287239.db2.gz OUPHLDNYHIOYKF-GXFFZTMASA-N -1 0 367.387 -0.492 20 0 FBADRM O=C([O-])[C@@H](O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000568258649 485287092 /nfs/dbraw/zinc/28/70/92/485287092.db2.gz OUPHLDNYHIOYKF-MFKMUULPSA-N -1 0 367.387 -0.492 20 0 FBADRM O=C([O-])[C@H](O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000568258650 485287431 /nfs/dbraw/zinc/28/74/31/485287431.db2.gz OUPHLDNYHIOYKF-ZWNOBZJWSA-N -1 0 367.387 -0.492 20 0 FBADRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@]1(O)CCS(=O)(=O)C1 ZINC000568262516 485286756 /nfs/dbraw/zinc/28/67/56/485286756.db2.gz QDMBOGFRZHLGIB-LLVKDONJSA-N -1 0 368.364 -0.438 20 0 FBADRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000568262517 485287434 /nfs/dbraw/zinc/28/74/34/485287434.db2.gz QDMBOGFRZHLGIB-NSHDSACASA-N -1 0 368.364 -0.438 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000568276689 484537830 /nfs/dbraw/zinc/53/78/30/484537830.db2.gz HBCGEYOFGYBWQP-BDAKNGLRSA-N -1 0 358.376 -0.739 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000568276693 484537751 /nfs/dbraw/zinc/53/77/51/484537751.db2.gz HBCGEYOFGYBWQP-DTWKUNHWSA-N -1 0 358.376 -0.739 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000568276695 484538004 /nfs/dbraw/zinc/53/80/04/484538004.db2.gz HBCGEYOFGYBWQP-IUCAKERBSA-N -1 0 358.376 -0.739 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000568276696 484537977 /nfs/dbraw/zinc/53/79/77/484537977.db2.gz HBCGEYOFGYBWQP-RKDXNWHRSA-N -1 0 358.376 -0.739 20 0 FBADRM CC(C)(C)NC(=O)CNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000568306980 485291978 /nfs/dbraw/zinc/29/19/78/485291978.db2.gz JTDFOIMFAMSGJE-UHFFFAOYSA-N -1 0 371.415 -0.306 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)NCCOCC(=O)[O-])c1 ZINC000568344317 485293243 /nfs/dbraw/zinc/29/32/43/485293243.db2.gz FEVBBJZSPIHKKG-UHFFFAOYSA-N -1 0 351.402 -0.140 20 0 FBADRM CCS(=O)(=O)Nc1ccc(NC(=O)N2CC(=O)NC[C@@H]2C(=O)[O-])cc1 ZINC000568349596 485294337 /nfs/dbraw/zinc/29/43/37/485294337.db2.gz NOPPNCNRMQORDD-LLVKDONJSA-N -1 0 370.387 -0.135 20 0 FBADRM CCS(=O)(=O)Nc1ccc(NC(=O)N2CC(=O)NC[C@H]2C(=O)[O-])cc1 ZINC000568349597 485293948 /nfs/dbraw/zinc/29/39/48/485293948.db2.gz NOPPNCNRMQORDD-NSHDSACASA-N -1 0 370.387 -0.135 20 0 FBADRM C[C@@H]1CN(C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)CC(=O)N1 ZINC000568368297 485293954 /nfs/dbraw/zinc/29/39/54/485293954.db2.gz HUOAFLPJHMAJKS-KYOSRNDESA-N -1 0 374.397 -0.057 20 0 FBADRM C[C@@H]1CN(C(=O)N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)CC(=O)N1 ZINC000568368298 485294644 /nfs/dbraw/zinc/29/46/44/485294644.db2.gz HUOAFLPJHMAJKS-OSAQELSMSA-N -1 0 374.397 -0.057 20 0 FBADRM C[C@@H]1CN(C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)CC(=O)N1 ZINC000568368299 485294601 /nfs/dbraw/zinc/29/46/01/485294601.db2.gz HUOAFLPJHMAJKS-UXIGCNINSA-N -1 0 374.397 -0.057 20 0 FBADRM C[C@@H]1CN(C(=O)N[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)CC(=O)N1 ZINC000568368300 485294062 /nfs/dbraw/zinc/29/40/62/485294062.db2.gz HUOAFLPJHMAJKS-ZLDLUXBVSA-N -1 0 374.397 -0.057 20 0 FBADRM CS(=O)(=O)N1CCCN(S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC000568387196 485293937 /nfs/dbraw/zinc/29/39/37/485293937.db2.gz SAJIWTYJKQNENV-UHFFFAOYSA-N -1 0 369.446 -0.503 20 0 FBADRM CCS(=O)(=O)N1CCN(S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC000568389469 483670957 /nfs/dbraw/zinc/67/09/57/483670957.db2.gz KPPHZECFHJEIRF-UHFFFAOYSA-N -1 0 369.446 -0.503 20 0 FBADRM CC[C@@H](NC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O)C(=O)[O-] ZINC000568391946 485294983 /nfs/dbraw/zinc/29/49/83/485294983.db2.gz VYKOQHVWRHCIHR-SNVBAGLBSA-N -1 0 369.399 -0.073 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)[C@@H](C)N1CCOCC1 ZINC000568395090 485295193 /nfs/dbraw/zinc/29/51/93/485295193.db2.gz PSSAHGWVWYLYAI-AAVRWANBSA-N -1 0 355.435 -0.219 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)[C@H](C)N1CCOCC1 ZINC000568395091 485295339 /nfs/dbraw/zinc/29/53/39/485295339.db2.gz PSSAHGWVWYLYAI-MQYQWHSLSA-N -1 0 355.435 -0.219 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)[C@@H](C)N1CCOCC1 ZINC000568395092 485295700 /nfs/dbraw/zinc/29/57/00/485295700.db2.gz PSSAHGWVWYLYAI-SYQHCUMBSA-N -1 0 355.435 -0.219 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)[C@H](C)N1CCOCC1 ZINC000568395093 485295258 /nfs/dbraw/zinc/29/52/58/485295258.db2.gz PSSAHGWVWYLYAI-YIYPIFLZSA-N -1 0 355.435 -0.219 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])C1 ZINC000568395673 485295560 /nfs/dbraw/zinc/29/55/60/485295560.db2.gz UBZPYHJEBMEBMM-MRVPVSSYSA-N -1 0 363.417 -0.840 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])C1 ZINC000568395674 485295507 /nfs/dbraw/zinc/29/55/07/485295507.db2.gz UBZPYHJEBMEBMM-QMMMGPOBSA-N -1 0 363.417 -0.840 20 0 FBADRM C[C@@H](CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)CC(=O)[O-] ZINC000568399628 484475899 /nfs/dbraw/zinc/47/58/99/484475899.db2.gz VJYSVLVXNSUBRX-GFCCVEGCSA-N -1 0 356.448 0.540 20 0 FBADRM C[C@H](CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)CC(=O)[O-] ZINC000568399629 484121246 /nfs/dbraw/zinc/12/12/46/484121246.db2.gz VJYSVLVXNSUBRX-LBPRGKRZSA-N -1 0 356.448 0.540 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000568400378 484536268 /nfs/dbraw/zinc/53/62/68/484536268.db2.gz AMEYKIFGGCFQIK-SECBINFHSA-N -1 0 372.403 -0.349 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000568400379 484536085 /nfs/dbraw/zinc/53/60/85/484536085.db2.gz AMEYKIFGGCFQIK-VIFPVBQESA-N -1 0 372.403 -0.349 20 0 FBADRM NC(=O)[C@]1(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)CCOC1 ZINC000568410658 485295315 /nfs/dbraw/zinc/29/53/15/485295315.db2.gz UQHGJIKXIPCUJZ-HNNXBMFYSA-N -1 0 354.384 -0.204 20 0 FBADRM NC(=O)[C@@]1(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)CCOC1 ZINC000568410659 485295362 /nfs/dbraw/zinc/29/53/62/485295362.db2.gz UQHGJIKXIPCUJZ-OAHLLOKOSA-N -1 0 354.384 -0.204 20 0 FBADRM Cn1c(CC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)nnc1-c1ccccc1 ZINC000568411804 485295674 /nfs/dbraw/zinc/29/56/74/485295674.db2.gz BUUQGJZHDJDZOG-GFCCVEGCSA-N -1 0 354.370 -0.213 20 0 FBADRM Cn1c(CC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)nnc1-c1ccccc1 ZINC000568411805 485295141 /nfs/dbraw/zinc/29/51/41/485295141.db2.gz BUUQGJZHDJDZOG-LBPRGKRZSA-N -1 0 354.370 -0.213 20 0 FBADRM O=S(=O)([N-]c1c[nH]cn1)c1ccc(S(=O)(=O)N2CC[C@H](O)C2)cc1 ZINC000568412655 485295473 /nfs/dbraw/zinc/29/54/73/485295473.db2.gz CXQPGUXFBPJZGA-JTQLQIEISA-N -1 0 372.428 -0.034 20 0 FBADRM CC(=O)NCCCNS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000568431810 485296627 /nfs/dbraw/zinc/29/66/27/485296627.db2.gz BQQJWQBFBORHPB-UHFFFAOYSA-N -1 0 358.372 -0.040 20 0 FBADRM CO[C@@H](C)c1nc(=NC(=O)NC[C@](C)(O)CN2CCOCC2)s[n-]1 ZINC000568449653 485297435 /nfs/dbraw/zinc/29/74/35/485297435.db2.gz NSNDHGOJQSPRNL-HZMBPMFUSA-N -1 0 359.452 -0.128 20 0 FBADRM CO[C@@H](C)c1nc(=NC(=O)NC[C@@](C)(O)CN2CCOCC2)s[n-]1 ZINC000568449654 485297786 /nfs/dbraw/zinc/29/77/86/485297786.db2.gz NSNDHGOJQSPRNL-IINYFYTJSA-N -1 0 359.452 -0.128 20 0 FBADRM CO[C@H](C)c1nc(=NC(=O)NC[C@@](C)(O)CN2CCOCC2)s[n-]1 ZINC000568449655 485297750 /nfs/dbraw/zinc/29/77/50/485297750.db2.gz NSNDHGOJQSPRNL-QMTHXVAHSA-N -1 0 359.452 -0.128 20 0 FBADRM CO[C@H](C)c1nc(=NC(=O)NC[C@](C)(O)CN2CCOCC2)s[n-]1 ZINC000568449656 485297704 /nfs/dbraw/zinc/29/77/04/485297704.db2.gz NSNDHGOJQSPRNL-YGRLFVJLSA-N -1 0 359.452 -0.128 20 0 FBADRM O=c1nc(CCNS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)[n-]o1 ZINC000568451558 485297720 /nfs/dbraw/zinc/29/77/20/485297720.db2.gz DUQIUJZOTXGFPA-UHFFFAOYSA-N -1 0 359.385 -0.786 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])CCCC1 ZINC000568456834 485297721 /nfs/dbraw/zinc/29/77/21/485297721.db2.gz OFWBCISYHLPYDM-SECBINFHSA-N -1 0 350.393 -0.642 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccncc2C(=O)OC)cn1 ZINC000568457957 485297206 /nfs/dbraw/zinc/29/72/06/485297206.db2.gz QIDSVTGAUYKLPM-UHFFFAOYSA-N -1 0 354.344 -0.540 20 0 FBADRM CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](C)C(=O)[O-] ZINC000568461969 485297656 /nfs/dbraw/zinc/29/76/56/485297656.db2.gz ZYKQXQNWZOKDSL-SECBINFHSA-N -1 0 350.418 -0.016 20 0 FBADRM CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](C)C(=O)[O-] ZINC000568461970 485297217 /nfs/dbraw/zinc/29/72/17/485297217.db2.gz ZYKQXQNWZOKDSL-VIFPVBQESA-N -1 0 350.418 -0.016 20 0 FBADRM CCN(CCCNC(=O)N1C[C@H](OC)C[C@@H]1C(=O)[O-])S(C)(=O)=O ZINC000568466840 485297696 /nfs/dbraw/zinc/29/76/96/485297696.db2.gz QBLMXEBVRIMZEM-GHMZBOCLSA-N -1 0 351.425 -0.459 20 0 FBADRM CCN(CCCNC(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000568466841 485297783 /nfs/dbraw/zinc/29/77/83/485297783.db2.gz QBLMXEBVRIMZEM-MNOVXSKESA-N -1 0 351.425 -0.459 20 0 FBADRM CCN(CCCNC(=O)N1C[C@@H](OC)C[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000568466842 485297662 /nfs/dbraw/zinc/29/76/62/485297662.db2.gz QBLMXEBVRIMZEM-QWRGUYRKSA-N -1 0 351.425 -0.459 20 0 FBADRM CCN(CCCNC(=O)N1C[C@@H](OC)C[C@@H]1C(=O)[O-])S(C)(=O)=O ZINC000568466843 485297302 /nfs/dbraw/zinc/29/73/02/485297302.db2.gz QBLMXEBVRIMZEM-WDEREUQCSA-N -1 0 351.425 -0.459 20 0 FBADRM C[C@H](CNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000568497494 485297690 /nfs/dbraw/zinc/29/76/90/485297690.db2.gz BRQJMVNVQKMMLO-SECBINFHSA-N -1 0 350.418 -0.064 20 0 FBADRM C[C@@H](CNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000568497495 485297724 /nfs/dbraw/zinc/29/77/24/485297724.db2.gz BRQJMVNVQKMMLO-VIFPVBQESA-N -1 0 350.418 -0.064 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)o1 ZINC000568497799 485297551 /nfs/dbraw/zinc/29/75/51/485297551.db2.gz RTDBIEWFCAPHCG-UHFFFAOYSA-N -1 0 358.332 -0.276 20 0 FBADRM CCOC(=O)CC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)nc1)C(=O)[O-] ZINC000568498478 485298561 /nfs/dbraw/zinc/29/85/61/485298561.db2.gz FTPBKYWCHUBAKA-JTQLQIEISA-N -1 0 374.371 -0.057 20 0 FBADRM O=C([O-])[C@@]1(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)CCSC1 ZINC000568507456 485298530 /nfs/dbraw/zinc/29/85/30/485298530.db2.gz ZKWCXXLQTGOTJM-GFCCVEGCSA-N -1 0 355.401 -0.099 20 0 FBADRM O=C([O-])[C@]1(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)CCSC1 ZINC000568507457 485298626 /nfs/dbraw/zinc/29/86/26/485298626.db2.gz ZKWCXXLQTGOTJM-LBPRGKRZSA-N -1 0 355.401 -0.099 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000568511423 485298328 /nfs/dbraw/zinc/29/83/28/485298328.db2.gz WMNBPHSDPPZPBJ-GMTAPVOTSA-N -1 0 358.420 -0.344 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000568511425 485298762 /nfs/dbraw/zinc/29/87/62/485298762.db2.gz WMNBPHSDPPZPBJ-MXWKQRLJSA-N -1 0 358.420 -0.344 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000568511426 485298247 /nfs/dbraw/zinc/29/82/47/485298247.db2.gz WMNBPHSDPPZPBJ-OUAUKWLOSA-N -1 0 358.420 -0.344 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000568511427 485298228 /nfs/dbraw/zinc/29/82/28/485298228.db2.gz WMNBPHSDPPZPBJ-VWYCJHECSA-N -1 0 358.420 -0.344 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC000568517952 485298827 /nfs/dbraw/zinc/29/88/27/485298827.db2.gz ILUZJXGHJICUCV-GFCCVEGCSA-N -1 0 372.399 -0.081 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC000568517953 485298678 /nfs/dbraw/zinc/29/86/78/485298678.db2.gz ILUZJXGHJICUCV-LBPRGKRZSA-N -1 0 372.399 -0.081 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000568518298 485298318 /nfs/dbraw/zinc/29/83/18/485298318.db2.gz XQNTYCNRXWJQTR-SECBINFHSA-N -1 0 366.392 -0.164 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000568518299 485298296 /nfs/dbraw/zinc/29/82/96/485298296.db2.gz XQNTYCNRXWJQTR-VIFPVBQESA-N -1 0 366.392 -0.164 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCc2cc(=O)n3ccccc3n2)C[C@@H]1C(=O)[O-] ZINC000568522572 485298635 /nfs/dbraw/zinc/29/86/35/485298635.db2.gz YHQBXUQDFVTMCF-AAEUAGOBSA-N -1 0 372.381 -0.120 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2cc(=O)n3ccccc3n2)C[C@H]1C(=O)[O-] ZINC000568522574 485298798 /nfs/dbraw/zinc/29/87/98/485298798.db2.gz YHQBXUQDFVTMCF-DGCLKSJQSA-N -1 0 372.381 -0.120 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCc2cc(=O)n3ccccc3n2)C[C@H]1C(=O)[O-] ZINC000568522575 485298470 /nfs/dbraw/zinc/29/84/70/485298470.db2.gz YHQBXUQDFVTMCF-WCQYABFASA-N -1 0 372.381 -0.120 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2cc(=O)n3ccccc3n2)C[C@@H]1C(=O)[O-] ZINC000568522576 485298708 /nfs/dbraw/zinc/29/87/08/485298708.db2.gz YHQBXUQDFVTMCF-YPMHNXCESA-N -1 0 372.381 -0.120 20 0 FBADRM NC(=O)c1cnn2c1C[C@H](CNS(=O)(=O)[N-]CC(F)(F)F)CC2 ZINC000568541271 485299402 /nfs/dbraw/zinc/29/94/02/485299402.db2.gz WJRVOZDJLUYGNC-SSDOTTSWSA-N -1 0 355.342 -0.469 20 0 FBADRM NC(=O)c1cnn2c1C[C@@H](CNS(=O)(=O)[N-]CC(F)(F)F)CC2 ZINC000568541278 485299635 /nfs/dbraw/zinc/29/96/35/485299635.db2.gz WJRVOZDJLUYGNC-ZETCQYMHSA-N -1 0 355.342 -0.469 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2nc3cc(Cl)ccn3n2)c(=O)n(C)c1=O ZINC000568573376 485300767 /nfs/dbraw/zinc/30/07/67/485300767.db2.gz BKNQUKTUVWWLLX-UHFFFAOYSA-N -1 0 370.778 -0.419 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CCC(COC)(C(=O)[O-])CC2)cn1C ZINC000568580170 485301319 /nfs/dbraw/zinc/30/13/19/485301319.db2.gz JLHOHDDLOPUBCE-UHFFFAOYSA-N -1 0 373.431 -0.113 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000568586007 485301165 /nfs/dbraw/zinc/30/11/65/485301165.db2.gz CZLTXFIRLROELN-CYBMUJFWSA-N -1 0 371.415 -0.014 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000568586011 485300763 /nfs/dbraw/zinc/30/07/63/485300763.db2.gz CZLTXFIRLROELN-ZDUSSCGKSA-N -1 0 371.415 -0.014 20 0 FBADRM COc1cccc(-c2nc(=NC(=O)C(=O)NC(C)(CO)CO)s[n-]2)c1 ZINC000568587897 485301975 /nfs/dbraw/zinc/30/19/75/485301975.db2.gz WGAVPYGUMKDBHE-UHFFFAOYSA-N -1 0 366.399 -0.566 20 0 FBADRM O=C([O-])c1nscc1S(=O)(=O)NCCN1CCCS1(=O)=O ZINC000568625955 485303400 /nfs/dbraw/zinc/30/34/00/485303400.db2.gz INRWICOKKZIDMW-UHFFFAOYSA-N -1 0 355.419 -0.845 20 0 FBADRM CCCN(C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000568627637 485303926 /nfs/dbraw/zinc/30/39/26/485303926.db2.gz FRQROPXOEHIXHB-AVGNSLFASA-N -1 0 374.459 -0.019 20 0 FBADRM CCCN(C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000568627731 485303799 /nfs/dbraw/zinc/30/37/99/485303799.db2.gz FRQROPXOEHIXHB-RWMBFGLXSA-N -1 0 374.459 -0.019 20 0 FBADRM CCCN(C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000568627732 485303147 /nfs/dbraw/zinc/30/31/47/485303147.db2.gz FRQROPXOEHIXHB-XQQFMLRXSA-N -1 0 374.459 -0.019 20 0 FBADRM CCCN(C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000568627733 485303325 /nfs/dbraw/zinc/30/33/25/485303325.db2.gz FRQROPXOEHIXHB-YNEHKIRRSA-N -1 0 374.459 -0.019 20 0 FBADRM Cn1nnc(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)n1 ZINC000568632556 485303214 /nfs/dbraw/zinc/30/32/14/485303214.db2.gz SQYWETFMHMVSES-NEPJUHHUSA-N -1 0 358.358 -0.847 20 0 FBADRM C[C@]1(C(N)=O)CCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000568636116 485303736 /nfs/dbraw/zinc/30/37/36/485303736.db2.gz YXWTZGIFHDKWJZ-AWEZNQCLSA-N -1 0 361.370 -0.033 20 0 FBADRM C[C@@]1(C(N)=O)CCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000568636118 485303951 /nfs/dbraw/zinc/30/39/51/485303951.db2.gz YXWTZGIFHDKWJZ-CQSZACIVSA-N -1 0 361.370 -0.033 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)NCC(=O)NCc1ccco1 ZINC000568671587 485305078 /nfs/dbraw/zinc/30/50/78/485305078.db2.gz GGOGLVMEYWVDOG-UHFFFAOYSA-N -1 0 370.387 -0.405 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000568677841 485304841 /nfs/dbraw/zinc/30/48/41/485304841.db2.gz VUHNVWSHJUJGKE-LLVKDONJSA-N -1 0 366.465 -0.159 20 0 FBADRM O=C([O-])[C@H](CO)NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000568709708 485306493 /nfs/dbraw/zinc/30/64/93/485306493.db2.gz MXJXDTCRHQNNOC-LBPRGKRZSA-N -1 0 373.387 -0.726 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)c1 ZINC000568741096 485307545 /nfs/dbraw/zinc/30/75/45/485307545.db2.gz NJMRADSQTNLIOT-UHFFFAOYSA-N -1 0 367.387 -0.523 20 0 FBADRM COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000568746323 485307460 /nfs/dbraw/zinc/30/74/60/485307460.db2.gz OZGLRMFMLYFNIK-UHFFFAOYSA-N -1 0 367.376 -0.048 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000568748454 485307387 /nfs/dbraw/zinc/30/73/87/485307387.db2.gz ILJSKVTZDBSOAP-LLVKDONJSA-N -1 0 361.354 -0.189 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000568748455 485307033 /nfs/dbraw/zinc/30/70/33/485307033.db2.gz ILJSKVTZDBSOAP-NSHDSACASA-N -1 0 361.354 -0.189 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)[C@H](C(=O)[O-])[C@@H](C)O1 ZINC000568749544 485307454 /nfs/dbraw/zinc/30/74/54/485307454.db2.gz IHIUBTSZQZTQES-BREBYQMCSA-N -1 0 373.431 -0.022 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC000568749546 485307383 /nfs/dbraw/zinc/30/73/83/485307383.db2.gz IHIUBTSZQZTQES-GBIKHYSHSA-N -1 0 373.431 -0.022 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC000568749547 485307345 /nfs/dbraw/zinc/30/73/45/485307345.db2.gz IHIUBTSZQZTQES-GIPNMCIBSA-N -1 0 373.431 -0.022 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)[C@H](C(=O)[O-])[C@H](C)O1 ZINC000568749548 485307372 /nfs/dbraw/zinc/30/73/72/485307372.db2.gz IHIUBTSZQZTQES-NRUUGDAUSA-N -1 0 373.431 -0.022 20 0 FBADRM CCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000568758729 483685006 /nfs/dbraw/zinc/68/50/06/483685006.db2.gz PXVQTSDWFKSOFP-UHFFFAOYSA-N -1 0 352.390 -0.366 20 0 FBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2CCO[C@@H](Cn3cncn3)C2)c1 ZINC000568762027 485307919 /nfs/dbraw/zinc/30/79/19/485307919.db2.gz SASCDXQMFZTFMB-CYBMUJFWSA-N -1 0 359.342 -0.158 20 0 FBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2CCO[C@H](Cn3cncn3)C2)c1 ZINC000568762028 485308492 /nfs/dbraw/zinc/30/84/92/485308492.db2.gz SASCDXQMFZTFMB-ZDUSSCGKSA-N -1 0 359.342 -0.158 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)CC1 ZINC000568768627 485308185 /nfs/dbraw/zinc/30/81/85/485308185.db2.gz AWPFTVLEMDIFAK-UHFFFAOYSA-N -1 0 366.392 -0.210 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000568830422 485310567 /nfs/dbraw/zinc/31/05/67/485310567.db2.gz ROOASLAVJQQSBP-NEPJUHHUSA-N -1 0 350.375 -0.537 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000568830423 485310396 /nfs/dbraw/zinc/31/03/96/485310396.db2.gz ROOASLAVJQQSBP-NWDGAFQWSA-N -1 0 350.375 -0.537 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000568830424 485310659 /nfs/dbraw/zinc/31/06/59/485310659.db2.gz ROOASLAVJQQSBP-RYUDHWBXSA-N -1 0 350.375 -0.537 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000568830425 485310129 /nfs/dbraw/zinc/31/01/29/485310129.db2.gz ROOASLAVJQQSBP-VXGBXAGGSA-N -1 0 350.375 -0.537 20 0 FBADRM CCc1noc2ncc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc12 ZINC000568834953 485310643 /nfs/dbraw/zinc/31/06/43/485310643.db2.gz KFXDDAPYPTVGQR-UHFFFAOYSA-N -1 0 356.360 -0.346 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC000568862241 485310245 /nfs/dbraw/zinc/31/02/45/485310245.db2.gz ILXPTHCACAQPPZ-LLVKDONJSA-N -1 0 362.429 -0.374 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC000568862242 485310698 /nfs/dbraw/zinc/31/06/98/485310698.db2.gz ILXPTHCACAQPPZ-NSHDSACASA-N -1 0 362.429 -0.374 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1C(N)=O ZINC000568865627 485310797 /nfs/dbraw/zinc/31/07/97/485310797.db2.gz SRMAUYGDCLISKC-GZMMTYOYSA-N -1 0 364.358 -0.303 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1C(N)=O ZINC000568865628 485310491 /nfs/dbraw/zinc/31/04/91/485310491.db2.gz SRMAUYGDCLISKC-KCJUWKMLSA-N -1 0 364.358 -0.303 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1C(N)=O ZINC000568865629 485310260 /nfs/dbraw/zinc/31/02/60/485310260.db2.gz SRMAUYGDCLISKC-KWQFWETISA-N -1 0 364.358 -0.303 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1C(N)=O ZINC000568865630 485310120 /nfs/dbraw/zinc/31/01/20/485310120.db2.gz SRMAUYGDCLISKC-LDYMZIIASA-N -1 0 364.358 -0.303 20 0 FBADRM O=C([O-])C(=O)N1CCN(CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000568870441 485311041 /nfs/dbraw/zinc/31/10/41/485311041.db2.gz OEEBIQUMPVQANE-UHFFFAOYSA-N -1 0 362.386 -0.369 20 0 FBADRM C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000568870566 485311537 /nfs/dbraw/zinc/31/15/37/485311537.db2.gz PBGGIQVENVWLHU-GFCCVEGCSA-N -1 0 362.386 -0.370 20 0 FBADRM C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000568870571 485311034 /nfs/dbraw/zinc/31/10/34/485311034.db2.gz PBGGIQVENVWLHU-LBPRGKRZSA-N -1 0 362.386 -0.370 20 0 FBADRM CCn1cc(S(=O)(=O)N(C)CC(=O)N2CCOCC2)cc1C(=O)[O-] ZINC000568871245 485310983 /nfs/dbraw/zinc/31/09/83/485310983.db2.gz QADYWAAOUIWBGF-UHFFFAOYSA-N -1 0 359.404 -0.315 20 0 FBADRM CC1(O)CN(S(=O)(=O)c2ccc(S(=O)(=O)[N-]c3c[nH]cn3)cc2)C1 ZINC000568882123 485311572 /nfs/dbraw/zinc/31/15/72/485311572.db2.gz VPCXOKXFNOCALR-UHFFFAOYSA-N -1 0 372.428 -0.034 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)c2ccc3[nH]c(=O)[nH]c3n2)s1 ZINC000568888321 484468868 /nfs/dbraw/zinc/46/88/68/484468868.db2.gz KKEDJLKWSXGVGF-UHFFFAOYSA-N -1 0 355.361 0.139 20 0 FBADRM COCCN(CCC(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000568939978 485313223 /nfs/dbraw/zinc/31/32/23/485313223.db2.gz HEQOJNZITQCXFK-UHFFFAOYSA-N -1 0 371.371 -0.672 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)[O-] ZINC000568956943 483691117 /nfs/dbraw/zinc/69/11/17/483691117.db2.gz MBZAWYTUXLZERN-LLVKDONJSA-N -1 0 354.425 -0.610 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)[O-] ZINC000568956944 483691370 /nfs/dbraw/zinc/69/13/70/483691370.db2.gz MBZAWYTUXLZERN-NSHDSACASA-N -1 0 354.425 -0.610 20 0 FBADRM NS(=O)(=O)c1cccc(CNS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000568980197 485314389 /nfs/dbraw/zinc/31/43/89/485314389.db2.gz BXPBDHMDUPDGJE-LLVKDONJSA-N -1 0 363.417 -0.783 20 0 FBADRM NS(=O)(=O)c1cccc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000568980199 485314246 /nfs/dbraw/zinc/31/42/46/485314246.db2.gz BXPBDHMDUPDGJE-NSHDSACASA-N -1 0 363.417 -0.783 20 0 FBADRM CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000568981450 485314277 /nfs/dbraw/zinc/31/42/77/485314277.db2.gz VCSVISURUXNQBS-NEPJUHHUSA-N -1 0 368.477 -0.073 20 0 FBADRM CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000568981451 485314122 /nfs/dbraw/zinc/31/41/22/485314122.db2.gz VCSVISURUXNQBS-NWDGAFQWSA-N -1 0 368.477 -0.073 20 0 FBADRM CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000568981452 485314302 /nfs/dbraw/zinc/31/43/02/485314302.db2.gz VCSVISURUXNQBS-RYUDHWBXSA-N -1 0 368.477 -0.073 20 0 FBADRM CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000568981514 485314041 /nfs/dbraw/zinc/31/40/41/485314041.db2.gz VCSVISURUXNQBS-VXGBXAGGSA-N -1 0 368.477 -0.073 20 0 FBADRM O=C([O-])[C@@H]1CC[C@@H](C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)O1 ZINC000568983314 485313924 /nfs/dbraw/zinc/31/39/24/485313924.db2.gz HMMSMRWTEHPCQU-DLOVCJGASA-N -1 0 355.368 -0.030 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)O1 ZINC000568983319 485314085 /nfs/dbraw/zinc/31/40/85/485314085.db2.gz HMMSMRWTEHPCQU-JLLWLGSASA-N -1 0 355.368 -0.030 20 0 FBADRM O=C([O-])[C@@H]1CC[C@@H](C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)O1 ZINC000568983320 485313970 /nfs/dbraw/zinc/31/39/70/485313970.db2.gz HMMSMRWTEHPCQU-USWWRNFRSA-N -1 0 355.368 -0.030 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)O1 ZINC000568983321 485314119 /nfs/dbraw/zinc/31/41/19/485314119.db2.gz HMMSMRWTEHPCQU-WCQGTBRESA-N -1 0 355.368 -0.030 20 0 FBADRM CC(C)N(C[C@@H](O)CO)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000569001701 485315342 /nfs/dbraw/zinc/31/53/42/485315342.db2.gz ICNSJDFCKKKUPX-MRVPVSSYSA-N -1 0 358.376 -0.812 20 0 FBADRM CC(C)N(C[C@H](O)CO)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000569001702 485315117 /nfs/dbraw/zinc/31/51/17/485315117.db2.gz ICNSJDFCKKKUPX-QMMMGPOBSA-N -1 0 358.376 -0.812 20 0 FBADRM COC(=O)c1cn(CCNS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)nn1 ZINC000569011740 485315743 /nfs/dbraw/zinc/31/57/43/485315743.db2.gz OHGCOBUMIJVQKA-UHFFFAOYSA-N -1 0 372.334 -0.120 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000569013307 485315065 /nfs/dbraw/zinc/31/50/65/485315065.db2.gz WCUNZMUYVGDFHJ-LLVKDONJSA-N -1 0 369.399 -0.598 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000569013309 485315099 /nfs/dbraw/zinc/31/50/99/485315099.db2.gz WCUNZMUYVGDFHJ-NSHDSACASA-N -1 0 369.399 -0.598 20 0 FBADRM CO[C@H](C)c1nc(=NC(=O)CNS(=O)(=O)c2cn(C)cn2)s[n-]1 ZINC000569013516 485315365 /nfs/dbraw/zinc/31/53/65/485315365.db2.gz DJZWWJWEQMZAJL-SSDOTTSWSA-N -1 0 360.421 -0.682 20 0 FBADRM CO[C@@H](C)c1nc(=NC(=O)CNS(=O)(=O)c2cn(C)cn2)s[n-]1 ZINC000569013517 485315399 /nfs/dbraw/zinc/31/53/99/485315399.db2.gz DJZWWJWEQMZAJL-ZETCQYMHSA-N -1 0 360.421 -0.682 20 0 FBADRM CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000569033161 485316662 /nfs/dbraw/zinc/31/66/62/485316662.db2.gz FTRSVZRNJFDSRD-GRYCIOLGSA-N -1 0 363.436 -0.604 20 0 FBADRM CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C(=O)[O-])O1 ZINC000569033162 485316747 /nfs/dbraw/zinc/31/67/47/485316747.db2.gz FTRSVZRNJFDSRD-IJLUTSLNSA-N -1 0 363.436 -0.604 20 0 FBADRM CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC000569033163 485316751 /nfs/dbraw/zinc/31/67/51/485316751.db2.gz FTRSVZRNJFDSRD-UTUOFQBUSA-N -1 0 363.436 -0.604 20 0 FBADRM CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1 ZINC000569033164 485316698 /nfs/dbraw/zinc/31/66/98/485316698.db2.gz FTRSVZRNJFDSRD-WOPDTQHZSA-N -1 0 363.436 -0.604 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCOC2)c1 ZINC000569094879 485317449 /nfs/dbraw/zinc/31/74/49/485317449.db2.gz CTGRVYJHEFPQET-GFCCVEGCSA-N -1 0 364.401 -0.754 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N[C@]2(CC(=O)[O-])CCOC2)c1 ZINC000569094880 485317585 /nfs/dbraw/zinc/31/75/85/485317585.db2.gz CTGRVYJHEFPQET-LBPRGKRZSA-N -1 0 364.401 -0.754 20 0 FBADRM O=C([O-])C1(O)CCN(S(=O)(=O)c2ccccc2Cn2cncn2)CC1 ZINC000569094987 485317679 /nfs/dbraw/zinc/31/76/79/485317679.db2.gz IBRMBWHRQFRYCI-UHFFFAOYSA-N -1 0 366.399 -0.073 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(c3ccc(C(=O)[O-])nn3)CC2)cn1C ZINC000569107510 485318386 /nfs/dbraw/zinc/31/83/86/485318386.db2.gz YVKOVWRQIJUBQR-UHFFFAOYSA-N -1 0 366.403 -0.272 20 0 FBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CN(C)S(=O)(=O)N(C)C ZINC000569107892 485318605 /nfs/dbraw/zinc/31/86/05/485318605.db2.gz GWXRONRKQVKVGN-UHFFFAOYSA-N -1 0 370.435 -0.594 20 0 FBADRM Cc1ncc(S(=O)(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000569109326 485318461 /nfs/dbraw/zinc/31/84/61/485318461.db2.gz YXZZPMVGGUICAU-SECBINFHSA-N -1 0 363.417 -0.600 20 0 FBADRM Cc1ncc(S(=O)(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000569109327 485318432 /nfs/dbraw/zinc/31/84/32/485318432.db2.gz YXZZPMVGGUICAU-VIFPVBQESA-N -1 0 363.417 -0.600 20 0 FBADRM O=C([O-])[C@@H](CF)NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000569118888 485318628 /nfs/dbraw/zinc/31/86/28/485318628.db2.gz UVCHRWLXEJDPAP-LLVKDONJSA-N -1 0 366.392 -0.172 20 0 FBADRM O=C([O-])[C@H](CF)NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000569118901 485318674 /nfs/dbraw/zinc/31/86/74/485318674.db2.gz UVCHRWLXEJDPAP-NSHDSACASA-N -1 0 366.392 -0.172 20 0 FBADRM C[C@H](C(=O)[O-])N(C)C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C ZINC000569119248 484113548 /nfs/dbraw/zinc/11/35/48/484113548.db2.gz GGEPMOJJFOCDKA-SECBINFHSA-N -1 0 363.374 -0.078 20 0 FBADRM C[C@@H](C(=O)[O-])N(C)C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C ZINC000569119251 484473779 /nfs/dbraw/zinc/47/37/79/484473779.db2.gz GGEPMOJJFOCDKA-VIFPVBQESA-N -1 0 363.374 -0.078 20 0 FBADRM CCN(C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000569119732 485318762 /nfs/dbraw/zinc/31/87/62/485318762.db2.gz NDAILTQHJODTOG-QJPTWQEYSA-N -1 0 360.432 -0.409 20 0 FBADRM CCN(C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000569119734 485318817 /nfs/dbraw/zinc/31/88/17/485318817.db2.gz NDAILTQHJODTOG-SDDRHHMPSA-N -1 0 360.432 -0.409 20 0 FBADRM CCN(C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000569119735 485318508 /nfs/dbraw/zinc/31/85/08/485318508.db2.gz NDAILTQHJODTOG-SRVKXCTJSA-N -1 0 360.432 -0.409 20 0 FBADRM CCN(C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000569119736 485318735 /nfs/dbraw/zinc/31/87/35/485318735.db2.gz NDAILTQHJODTOG-TUAOUCFPSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000569121670 485318729 /nfs/dbraw/zinc/31/87/29/485318729.db2.gz ICYIGZCBKFQRRD-GXSJLCMTSA-N -1 0 369.399 -0.615 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000569121685 485318585 /nfs/dbraw/zinc/31/85/85/485318585.db2.gz ICYIGZCBKFQRRD-KOLCDFICSA-N -1 0 369.399 -0.615 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000569121687 485318396 /nfs/dbraw/zinc/31/83/96/485318396.db2.gz ICYIGZCBKFQRRD-MWLCHTKSSA-N -1 0 369.399 -0.615 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000569121688 485318634 /nfs/dbraw/zinc/31/86/34/485318634.db2.gz ICYIGZCBKFQRRD-ONGXEEELSA-N -1 0 369.399 -0.615 20 0 FBADRM O=C([O-])[C@@H](O)[C@H]1CCCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000569173618 485320203 /nfs/dbraw/zinc/32/02/03/485320203.db2.gz FMAWBZYNDXYIOW-GWCFXTLKSA-N -1 0 367.387 -0.492 20 0 FBADRM O=C([O-])[C@H](O)[C@H]1CCCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000569173619 485320474 /nfs/dbraw/zinc/32/04/74/485320474.db2.gz FMAWBZYNDXYIOW-GXFFZTMASA-N -1 0 367.387 -0.492 20 0 FBADRM O=C([O-])[C@@H](O)[C@@H]1CCCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000569173620 485320178 /nfs/dbraw/zinc/32/01/78/485320178.db2.gz FMAWBZYNDXYIOW-MFKMUULPSA-N -1 0 367.387 -0.492 20 0 FBADRM O=C([O-])[C@H](O)[C@@H]1CCCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000569173621 485320731 /nfs/dbraw/zinc/32/07/31/485320731.db2.gz FMAWBZYNDXYIOW-ZWNOBZJWSA-N -1 0 367.387 -0.492 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](COC(C)(C)C)C(=O)[O-] ZINC000569194096 485320826 /nfs/dbraw/zinc/32/08/26/485320826.db2.gz DSHXSTDNUJFQDG-VIFPVBQESA-N -1 0 360.454 -0.887 20 0 FBADRM O=C([O-])[C@H]1CCCN(S(=O)(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000569217323 485321384 /nfs/dbraw/zinc/32/13/84/485321384.db2.gz DGKRVGOGBXTKMD-CMPLNLGQSA-N -1 0 366.461 -0.321 20 0 FBADRM O=C([O-])[C@H]1CCCN(S(=O)(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000569217325 485321240 /nfs/dbraw/zinc/32/12/40/485321240.db2.gz DGKRVGOGBXTKMD-JQWIXIFHSA-N -1 0 366.461 -0.321 20 0 FBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000569217326 485321329 /nfs/dbraw/zinc/32/13/29/485321329.db2.gz DGKRVGOGBXTKMD-PWSUYJOCSA-N -1 0 366.461 -0.321 20 0 FBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000569217327 485321475 /nfs/dbraw/zinc/32/14/75/485321475.db2.gz DGKRVGOGBXTKMD-ZYHUDNBSSA-N -1 0 366.461 -0.321 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1C(=O)[O-] ZINC000569242739 485321874 /nfs/dbraw/zinc/32/18/74/485321874.db2.gz AJLZLWZNWPVXER-BXKDBHETSA-N -1 0 369.399 -0.158 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1C(=O)[O-] ZINC000569242743 485321947 /nfs/dbraw/zinc/32/19/47/485321947.db2.gz AJLZLWZNWPVXER-CABZTGNLSA-N -1 0 369.399 -0.158 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1C(=O)[O-] ZINC000569242744 485321355 /nfs/dbraw/zinc/32/13/55/485321355.db2.gz AJLZLWZNWPVXER-JOYOIKCWSA-N -1 0 369.399 -0.158 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1C(=O)[O-] ZINC000569242745 485321933 /nfs/dbraw/zinc/32/19/33/485321933.db2.gz AJLZLWZNWPVXER-SKDRFNHKSA-N -1 0 369.399 -0.158 20 0 FBADRM COc1ccc(CCNC(=O)CSCC(=O)[O-])cc1S(N)(=O)=O ZINC000569243233 485321910 /nfs/dbraw/zinc/32/19/10/485321910.db2.gz GEPXAIYPJDXJGY-UHFFFAOYSA-N -1 0 362.429 -0.181 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)c1cnc2onc(C3CC3)c2c1)C(=O)[O-] ZINC000569248263 485322647 /nfs/dbraw/zinc/32/26/47/485322647.db2.gz JSXMMBLOOSMHTQ-VIFPVBQESA-N -1 0 354.344 -0.293 20 0 FBADRM COC(=O)c1c(C)[nH]c(C(=O)CN2CCN(C(=O)C(=O)[O-])CC2)c1C ZINC000569249461 485322519 /nfs/dbraw/zinc/32/25/19/485322519.db2.gz YYZIWKLWTAZVSC-UHFFFAOYSA-N -1 0 351.359 -0.170 20 0 FBADRM Cn1cncc1CNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000569278949 485323979 /nfs/dbraw/zinc/32/39/79/485323979.db2.gz NCHWAEZGWWIXTD-UHFFFAOYSA-N -1 0 352.372 -0.287 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)C1 ZINC000569308308 485324308 /nfs/dbraw/zinc/32/43/08/485324308.db2.gz SZJAUPSMPMANMS-GRYCIOLGSA-N -1 0 363.436 -0.411 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)C1 ZINC000569308309 485324856 /nfs/dbraw/zinc/32/48/56/485324856.db2.gz SZJAUPSMPMANMS-SDDRHHMPSA-N -1 0 363.436 -0.411 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)C1 ZINC000569308310 485324851 /nfs/dbraw/zinc/32/48/51/485324851.db2.gz SZJAUPSMPMANMS-SRVKXCTJSA-N -1 0 363.436 -0.411 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)C1 ZINC000569308311 485324371 /nfs/dbraw/zinc/32/43/71/485324371.db2.gz SZJAUPSMPMANMS-WOPDTQHZSA-N -1 0 363.436 -0.411 20 0 FBADRM CCOC[C@H](NS(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000569327993 483633514 /nfs/dbraw/zinc/63/35/14/483633514.db2.gz WIJKZOPXEDKCSE-VIFPVBQESA-N -1 0 351.402 -0.142 20 0 FBADRM CC1(O)CN(S(=O)(=O)c2cccc(S(=O)(=O)[N-]c3cn[nH]c3)c2)C1 ZINC000569355627 483772763 /nfs/dbraw/zinc/77/27/63/483772763.db2.gz SYOLULMNUGOYIK-UHFFFAOYSA-N -1 0 372.428 -0.034 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000569358182 483773385 /nfs/dbraw/zinc/77/33/85/483773385.db2.gz MNYGXIKRSVUUPJ-SECBINFHSA-N -1 0 364.401 -0.802 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000569358183 483773575 /nfs/dbraw/zinc/77/35/75/483773575.db2.gz MNYGXIKRSVUUPJ-VIFPVBQESA-N -1 0 364.401 -0.802 20 0 FBADRM Cc1ncc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1C(=O)[O-] ZINC000569358251 483774317 /nfs/dbraw/zinc/77/43/17/483774317.db2.gz PYORBJSFVGNHHE-UHFFFAOYSA-N -1 0 363.417 -0.646 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@](C)(COC)C(=O)[O-])c1 ZINC000569358782 483779095 /nfs/dbraw/zinc/77/90/95/483779095.db2.gz LQKJXVFIZFIBRF-GFCCVEGCSA-N -1 0 366.417 -0.637 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@](C)(COC)C(=O)[O-])c1 ZINC000569358783 483779456 /nfs/dbraw/zinc/77/94/56/483779456.db2.gz LQKJXVFIZFIBRF-LBPRGKRZSA-N -1 0 366.417 -0.637 20 0 FBADRM CC(=O)NCCN(C(=O)C(=O)NCCCC(=O)[O-])C1CCSCC1 ZINC000569363717 483781243 /nfs/dbraw/zinc/78/12/43/483781243.db2.gz LNCJQNUFGLTPRD-UHFFFAOYSA-N -1 0 359.448 -0.172 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCc3onc(C(=O)[O-])c3C2)cc1C(N)=O ZINC000569407505 483786273 /nfs/dbraw/zinc/78/62/73/483786273.db2.gz CVIVUGSAZLWVFZ-UHFFFAOYSA-N -1 0 354.344 -0.443 20 0 FBADRM COC[C@@H](CCO)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000569415685 483786353 /nfs/dbraw/zinc/78/63/53/483786353.db2.gz WJTBTUUGECEDBH-SECBINFHSA-N -1 0 352.359 -0.243 20 0 FBADRM COC[C@H](CCO)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000569415686 483786260 /nfs/dbraw/zinc/78/62/60/483786260.db2.gz WJTBTUUGECEDBH-VIFPVBQESA-N -1 0 352.359 -0.243 20 0 FBADRM COCc1cc(C(=O)OC)cc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])c1 ZINC000569418312 483785855 /nfs/dbraw/zinc/78/58/55/483785855.db2.gz ZGBRCMBZNRGRAY-GFCCVEGCSA-N -1 0 361.372 -0.003 20 0 FBADRM COCc1cc(C(=O)OC)cc(S(=O)(=O)NC[C@H](OC)C(=O)[O-])c1 ZINC000569418313 483786188 /nfs/dbraw/zinc/78/61/88/483786188.db2.gz ZGBRCMBZNRGRAY-LBPRGKRZSA-N -1 0 361.372 -0.003 20 0 FBADRM COCCOc1ccccc1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000569426666 483787106 /nfs/dbraw/zinc/78/71/06/483787106.db2.gz YSEBAHSMWAEQIH-UHFFFAOYSA-N -1 0 370.387 -0.020 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1ccc2c(c1)C(=O)CCO2 ZINC000569443900 483788255 /nfs/dbraw/zinc/78/82/55/483788255.db2.gz ZAONXJAXCIXUSP-UHFFFAOYSA-N -1 0 356.356 -0.479 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NCc1ccc(C(=O)[O-])s1 ZINC000569452163 483788823 /nfs/dbraw/zinc/78/88/23/483788823.db2.gz HHIYNWGECDFSOG-UHFFFAOYSA-N -1 0 356.447 -0.195 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N(C)CC(=O)[O-])c1 ZINC000569457542 483789699 /nfs/dbraw/zinc/78/96/99/483789699.db2.gz YRZJPYAGYNUGNP-UHFFFAOYSA-N -1 0 357.388 -0.790 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000569460715 483790402 /nfs/dbraw/zinc/79/04/02/483790402.db2.gz IGHWAIWXVMVOFL-UHFFFAOYSA-N -1 0 356.400 -0.326 20 0 FBADRM CN(C)c1nc(N)nc(C(=O)N=c2[n-]nc(C3CCOCC3)s2)n1 ZINC000569496153 484498420 /nfs/dbraw/zinc/49/84/20/484498420.db2.gz FXIKXLIHWKFCNU-UHFFFAOYSA-N -1 0 350.408 -0.061 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000569538910 483800034 /nfs/dbraw/zinc/80/00/34/483800034.db2.gz MRCZMPBQIWHYBR-GFCCVEGCSA-N -1 0 364.445 -0.287 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000569538913 483800062 /nfs/dbraw/zinc/80/00/62/483800062.db2.gz MRCZMPBQIWHYBR-LBPRGKRZSA-N -1 0 364.445 -0.287 20 0 FBADRM CC(=O)Nc1ccncc1[N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000569542177 483800848 /nfs/dbraw/zinc/80/08/48/483800848.db2.gz BFDQBCYIJCAYCK-UHFFFAOYSA-N -1 0 370.412 -0.090 20 0 FBADRM COC(=O)c1ccccc1CS(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000569542628 483800954 /nfs/dbraw/zinc/80/09/54/483800954.db2.gz YBKLZLSERHKBGV-LLVKDONJSA-N -1 0 358.372 -0.389 20 0 FBADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)C(=O)N1CCS(=O)(=O)CC1 ZINC000569547233 483801103 /nfs/dbraw/zinc/80/11/03/483801103.db2.gz ZMJYRWGPQAOYFT-SECBINFHSA-N -1 0 355.372 -0.845 20 0 FBADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)C(=O)N1CCS(=O)(=O)CC1 ZINC000569547234 483800734 /nfs/dbraw/zinc/80/07/34/483800734.db2.gz ZMJYRWGPQAOYFT-VIFPVBQESA-N -1 0 355.372 -0.845 20 0 FBADRM O=C([O-])[C@H](NC(=O)N1CCS(=O)(=O)CC1)[C@H](O)Cc1ccccc1 ZINC000569564862 483801409 /nfs/dbraw/zinc/80/14/09/483801409.db2.gz ZWJPLVBTAGBZOB-CHWSQXEVSA-N -1 0 356.400 -0.517 20 0 FBADRM O=C([O-])[C@@H](NC(=O)N1CCS(=O)(=O)CC1)[C@H](O)Cc1ccccc1 ZINC000569564863 483801678 /nfs/dbraw/zinc/80/16/78/483801678.db2.gz ZWJPLVBTAGBZOB-OLZOCXBDSA-N -1 0 356.400 -0.517 20 0 FBADRM O=C([O-])[C@H](NC(=O)N1CCS(=O)(=O)CC1)[C@@H](O)Cc1ccccc1 ZINC000569564864 483801436 /nfs/dbraw/zinc/80/14/36/483801436.db2.gz ZWJPLVBTAGBZOB-QWHCGFSZSA-N -1 0 356.400 -0.517 20 0 FBADRM O=C([O-])[C@@H](NC(=O)N1CCS(=O)(=O)CC1)[C@@H](O)Cc1ccccc1 ZINC000569564865 483801760 /nfs/dbraw/zinc/80/17/60/483801760.db2.gz ZWJPLVBTAGBZOB-STQMWFEESA-N -1 0 356.400 -0.517 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000569572452 483802330 /nfs/dbraw/zinc/80/23/30/483802330.db2.gz BSXQIDQLNFOPFW-NWDGAFQWSA-N -1 0 368.477 -0.169 20 0 FBADRM COC[C@@](C)(NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000569573507 483802122 /nfs/dbraw/zinc/80/21/22/483802122.db2.gz QUFLZVPPBZBISH-LLVKDONJSA-N -1 0 352.390 -0.898 20 0 FBADRM COC[C@](C)(NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000569573511 483802164 /nfs/dbraw/zinc/80/21/64/483802164.db2.gz QUFLZVPPBZBISH-NSHDSACASA-N -1 0 352.390 -0.898 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000569577017 483803113 /nfs/dbraw/zinc/80/31/13/483803113.db2.gz HUMKVKVUNQOVOV-UHFFFAOYSA-N -1 0 363.417 -0.876 20 0 FBADRM CCCN(C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)[C@H](COC)C(=O)[O-] ZINC000569582612 483806221 /nfs/dbraw/zinc/80/62/21/483806221.db2.gz WRKJJJQALBPZLJ-GHMZBOCLSA-N -1 0 351.425 -0.459 20 0 FBADRM CCCN(C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H](COC)C(=O)[O-] ZINC000569582613 483806293 /nfs/dbraw/zinc/80/62/93/483806293.db2.gz WRKJJJQALBPZLJ-MNOVXSKESA-N -1 0 351.425 -0.459 20 0 FBADRM CCCN(C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)[C@@H](COC)C(=O)[O-] ZINC000569582614 483806507 /nfs/dbraw/zinc/80/65/07/483806507.db2.gz WRKJJJQALBPZLJ-QWRGUYRKSA-N -1 0 351.425 -0.459 20 0 FBADRM CCCN(C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)[C@H](COC)C(=O)[O-] ZINC000569582615 483806436 /nfs/dbraw/zinc/80/64/36/483806436.db2.gz WRKJJJQALBPZLJ-WDEREUQCSA-N -1 0 351.425 -0.459 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)C1 ZINC000569586033 483806849 /nfs/dbraw/zinc/80/68/49/483806849.db2.gz KXIFZCNPSXUFQO-AVGNSLFASA-N -1 0 351.403 -0.031 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)C1 ZINC000569586034 483807104 /nfs/dbraw/zinc/80/71/04/483807104.db2.gz KXIFZCNPSXUFQO-RWMBFGLXSA-N -1 0 351.403 -0.031 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)C1 ZINC000569586035 483807116 /nfs/dbraw/zinc/80/71/16/483807116.db2.gz KXIFZCNPSXUFQO-XQQFMLRXSA-N -1 0 351.403 -0.031 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)C1 ZINC000569586036 483806700 /nfs/dbraw/zinc/80/67/00/483806700.db2.gz KXIFZCNPSXUFQO-YNEHKIRRSA-N -1 0 351.403 -0.031 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000569595000 483827181 /nfs/dbraw/zinc/82/71/81/483827181.db2.gz KNAPNOYDTUKNMI-JTQLQIEISA-N -1 0 363.436 -0.856 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000569595005 483827338 /nfs/dbraw/zinc/82/73/38/483827338.db2.gz KNAPNOYDTUKNMI-SNVBAGLBSA-N -1 0 363.436 -0.856 20 0 FBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000569642818 484067936 /nfs/dbraw/zinc/06/79/36/484067936.db2.gz NEGMZDCQVQDORW-JTQLQIEISA-N -1 0 371.415 -0.277 20 0 FBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000569642821 484067546 /nfs/dbraw/zinc/06/75/46/484067546.db2.gz NEGMZDCQVQDORW-SNVBAGLBSA-N -1 0 371.415 -0.277 20 0 FBADRM CCN1CCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CC1=O ZINC000569655576 484071934 /nfs/dbraw/zinc/07/19/34/484071934.db2.gz ZBWZFRUYKPLVMQ-UHFFFAOYSA-N -1 0 361.370 -0.066 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)N[C@H](C(=O)[O-])C2CCOCC2)C1 ZINC000569658841 484074489 /nfs/dbraw/zinc/07/44/89/484074489.db2.gz UDEZFDMTPLEWAN-NEPJUHHUSA-N -1 0 363.436 -0.411 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)N[C@@H](C(=O)[O-])C2CCOCC2)C1 ZINC000569658842 484074762 /nfs/dbraw/zinc/07/47/62/484074762.db2.gz UDEZFDMTPLEWAN-NWDGAFQWSA-N -1 0 363.436 -0.411 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)N[C@H](C(=O)[O-])C2CCOCC2)C1 ZINC000569658843 484073841 /nfs/dbraw/zinc/07/38/41/484073841.db2.gz UDEZFDMTPLEWAN-RYUDHWBXSA-N -1 0 363.436 -0.411 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)N[C@@H](C(=O)[O-])C2CCOCC2)C1 ZINC000569658844 484073460 /nfs/dbraw/zinc/07/34/60/484073460.db2.gz UDEZFDMTPLEWAN-VXGBXAGGSA-N -1 0 363.436 -0.411 20 0 FBADRM O=C([O-])CCC(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000569674102 484087838 /nfs/dbraw/zinc/08/78/38/484087838.db2.gz TUQABPASVAYUQT-UHFFFAOYSA-N -1 0 355.372 -0.390 20 0 FBADRM CNS(=O)(=O)c1ccc(CNS(=O)(=O)CCCC(=O)[O-])s1 ZINC000569689907 484102411 /nfs/dbraw/zinc/10/24/11/484102411.db2.gz USNGBVWDYWZOGK-UHFFFAOYSA-N -1 0 356.447 -0.060 20 0 FBADRM CNC(=O)CCN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000569693478 484106228 /nfs/dbraw/zinc/10/62/28/484106228.db2.gz NWPUELYIFHQXJU-KGLIPLIRSA-N -1 0 361.398 -0.092 20 0 FBADRM COC(=O)CNC(=O)CNC(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC000569707882 484123605 /nfs/dbraw/zinc/12/36/05/484123605.db2.gz LOLKIYINXAIDSW-UHFFFAOYSA-N -1 0 362.342 -0.395 20 0 FBADRM CCC(=O)NCc1cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])ccc1OC ZINC000569709902 484123364 /nfs/dbraw/zinc/12/33/64/484123364.db2.gz IYTHRSDYZBHTDY-LLVKDONJSA-N -1 0 360.388 -0.555 20 0 FBADRM CCCN(CC(=O)[O-])C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000569722733 484134282 /nfs/dbraw/zinc/13/42/82/484134282.db2.gz AYFFNNVGIRERDV-JTQLQIEISA-N -1 0 371.415 -0.225 20 0 FBADRM CCCN(CC(=O)[O-])C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000569722735 484135605 /nfs/dbraw/zinc/13/56/05/484135605.db2.gz AYFFNNVGIRERDV-SNVBAGLBSA-N -1 0 371.415 -0.225 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000569723433 484135289 /nfs/dbraw/zinc/13/52/89/484135289.db2.gz LNCFHSQVLQWRDF-JTQLQIEISA-N -1 0 374.419 -0.821 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000569723437 484134295 /nfs/dbraw/zinc/13/42/95/484134295.db2.gz LNCFHSQVLQWRDF-SNVBAGLBSA-N -1 0 374.419 -0.821 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)[C@H]2C(=O)[O-])cn1 ZINC000569723999 484135121 /nfs/dbraw/zinc/13/51/21/484135121.db2.gz OVQUXNBPTJXHLN-AUTRQRHGSA-N -1 0 361.376 -0.693 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)[C@@H]2C(=O)[O-])cn1 ZINC000569724001 484135249 /nfs/dbraw/zinc/13/52/49/484135249.db2.gz OVQUXNBPTJXHLN-HOTUBEGUSA-N -1 0 361.376 -0.693 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2C[C@H](C)O[C@H](C)[C@H]2C(=O)[O-])cn1 ZINC000569724003 484134930 /nfs/dbraw/zinc/13/49/30/484134930.db2.gz OVQUXNBPTJXHLN-SBMIAAHKSA-N -1 0 361.376 -0.693 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2C[C@H](C)O[C@H](C)[C@@H]2C(=O)[O-])cn1 ZINC000569724004 484134425 /nfs/dbraw/zinc/13/44/25/484134425.db2.gz OVQUXNBPTJXHLN-YGOYTEALSA-N -1 0 361.376 -0.693 20 0 FBADRM O=C([O-])c1cnc(NC2CCN(S(=O)(=O)N3CCOCC3)CC2)nc1 ZINC000569727164 484136460 /nfs/dbraw/zinc/13/64/60/484136460.db2.gz HRYBJABMJCUKGT-UHFFFAOYSA-N -1 0 371.419 -0.372 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)N[C@H](C(=O)[O-])[C@H]1CCC[C@H](OC)C1 ZINC000569728203 484137185 /nfs/dbraw/zinc/13/71/85/484137185.db2.gz WOXJZGZCFJUCRT-SRVKXCTJSA-N -1 0 365.452 -0.117 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)N[C@H](C(=O)[O-])[C@H]1CCC[C@@H](OC)C1 ZINC000569728206 484136345 /nfs/dbraw/zinc/13/63/45/484136345.db2.gz WOXJZGZCFJUCRT-TUAOUCFPSA-N -1 0 365.452 -0.117 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)N[C@H](C(=O)[O-])[C@@H]1CCC[C@@H](OC)C1 ZINC000569728208 484136946 /nfs/dbraw/zinc/13/69/46/484136946.db2.gz WOXJZGZCFJUCRT-UTUOFQBUSA-N -1 0 365.452 -0.117 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)N[C@H](C(=O)[O-])[C@@H]1CCC[C@H](OC)C1 ZINC000569728212 484136483 /nfs/dbraw/zinc/13/64/83/484136483.db2.gz WOXJZGZCFJUCRT-WOPDTQHZSA-N -1 0 365.452 -0.117 20 0 FBADRM COCCN1CN(C(=O)Cc2c(C)nc(-c3ncccn3)[n-]c2=O)CC1=O ZINC000569748405 484137152 /nfs/dbraw/zinc/13/71/52/484137152.db2.gz PGQQQZKBTYXLKH-UHFFFAOYSA-N -1 0 372.385 -0.235 20 0 FBADRM O=C([O-])c1cn(CCNS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)nn1 ZINC000569799726 484140908 /nfs/dbraw/zinc/14/09/08/484140908.db2.gz XKYZQAACQFOFPI-UHFFFAOYSA-N -1 0 363.355 -0.204 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])CC1 ZINC000569808233 484140965 /nfs/dbraw/zinc/14/09/65/484140965.db2.gz WMZMMBUCNYTYQS-GFCCVEGCSA-N -1 0 368.477 -0.073 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])CC1 ZINC000569808235 484141134 /nfs/dbraw/zinc/14/11/34/484141134.db2.gz WMZMMBUCNYTYQS-LBPRGKRZSA-N -1 0 368.477 -0.073 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)C[C@H]1C(=O)[O-] ZINC000569811418 484143140 /nfs/dbraw/zinc/14/31/40/484143140.db2.gz VPNRWSPXPXOPEH-FDYHWXHSSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)C[C@@H]1C(=O)[O-] ZINC000569811419 484143080 /nfs/dbraw/zinc/14/30/80/484143080.db2.gz VPNRWSPXPXOPEH-FVCCEPFGSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)C[C@@H]1C(=O)[O-] ZINC000569811420 484143152 /nfs/dbraw/zinc/14/31/52/484143152.db2.gz VPNRWSPXPXOPEH-MROQNXINSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)C[C@H]1C(=O)[O-] ZINC000569811421 484143903 /nfs/dbraw/zinc/14/39/03/484143903.db2.gz VPNRWSPXPXOPEH-YVECIDJPSA-N -1 0 351.403 -0.175 20 0 FBADRM O=C([O-])c1ccc(NC2CCN(S(=O)(=O)N3CCOCC3)CC2)nn1 ZINC000569813841 484368784 /nfs/dbraw/zinc/36/87/84/484368784.db2.gz NPFJPFLUFPJXBK-UHFFFAOYSA-N -1 0 371.419 -0.372 20 0 FBADRM O=S(=O)([N-]c1c[nH]cn1)c1ccccc1S(=O)(=O)N1CC(CO)C1 ZINC000569824902 484143386 /nfs/dbraw/zinc/14/33/86/484143386.db2.gz LLMOACPHDNPZDP-UHFFFAOYSA-N -1 0 372.428 -0.177 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)ccc1C(=O)[O-] ZINC000569833703 484144590 /nfs/dbraw/zinc/14/45/90/484144590.db2.gz UFCWNHLYMOZEGG-LLVKDONJSA-N -1 0 363.370 -0.317 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H](C)O)CC2)ccc1C(=O)[O-] ZINC000569833709 484144926 /nfs/dbraw/zinc/14/49/26/484144926.db2.gz UFCWNHLYMOZEGG-NSHDSACASA-N -1 0 363.370 -0.317 20 0 FBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)O1 ZINC000569843551 484146366 /nfs/dbraw/zinc/14/63/66/484146366.db2.gz GBZPYWDOQQPAFR-WDEREUQCSA-N -1 0 353.375 -0.011 20 0 FBADRM CCN1CCN(C(=O)CNC(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000569890859 484148029 /nfs/dbraw/zinc/14/80/29/484148029.db2.gz UKFYBXFRMWQMFA-UHFFFAOYSA-N -1 0 374.488 -0.693 20 0 FBADRM Cn1cnc2cc(S(=O)(=O)NCCn3cc(C(=O)[O-])nn3)ccc21 ZINC000569906737 484149153 /nfs/dbraw/zinc/14/91/53/484149153.db2.gz CSHFOJAXFVYQTC-UHFFFAOYSA-N -1 0 350.360 -0.159 20 0 FBADRM O=C([O-])CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000569928017 484149906 /nfs/dbraw/zinc/14/99/06/484149906.db2.gz VCLCYHNDSGJLQK-UHFFFAOYSA-N -1 0 358.372 -0.283 20 0 FBADRM COc1cccc(S(=O)(=O)CCN2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000569976848 484154551 /nfs/dbraw/zinc/15/45/51/484154551.db2.gz BHIHRWBFDPAIFP-UHFFFAOYSA-N -1 0 356.400 -0.302 20 0 FBADRM Cn1cc(CCNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)cn1 ZINC000570010328 484158483 /nfs/dbraw/zinc/15/84/83/484158483.db2.gz UUWVCCBUJDGQAY-UHFFFAOYSA-N -1 0 350.360 -0.310 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000570015464 484157366 /nfs/dbraw/zinc/15/73/66/484157366.db2.gz SAAGHRFCYNGOFC-MRVPVSSYSA-N -1 0 352.438 -0.438 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000570015465 484157193 /nfs/dbraw/zinc/15/71/93/484157193.db2.gz SAAGHRFCYNGOFC-QMMMGPOBSA-N -1 0 352.438 -0.438 20 0 FBADRM COC(=O)C1(CS(=O)(=O)NCC(=O)NCC(=O)[O-])CCCCC1 ZINC000570024485 484158520 /nfs/dbraw/zinc/15/85/20/484158520.db2.gz QNYZUYAKFXVMCK-UHFFFAOYSA-N -1 0 350.393 -0.770 20 0 FBADRM CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000570042302 484159575 /nfs/dbraw/zinc/15/95/75/484159575.db2.gz HOIQNTPQONVGBD-GHMZBOCLSA-N -1 0 354.450 -0.321 20 0 FBADRM CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000570042305 484160335 /nfs/dbraw/zinc/16/03/35/484160335.db2.gz HOIQNTPQONVGBD-MNOVXSKESA-N -1 0 354.450 -0.321 20 0 FBADRM CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000570042306 484160359 /nfs/dbraw/zinc/16/03/59/484160359.db2.gz HOIQNTPQONVGBD-QWRGUYRKSA-N -1 0 354.450 -0.321 20 0 FBADRM CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000570042307 484159483 /nfs/dbraw/zinc/15/94/83/484159483.db2.gz HOIQNTPQONVGBD-WDEREUQCSA-N -1 0 354.450 -0.321 20 0 FBADRM CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000570043213 484159401 /nfs/dbraw/zinc/15/94/01/484159401.db2.gz UKPUQDVVURERGR-SSDOTTSWSA-N -1 0 369.446 -0.456 20 0 FBADRM CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000570043214 484159245 /nfs/dbraw/zinc/15/92/45/484159245.db2.gz UKPUQDVVURERGR-ZETCQYMHSA-N -1 0 369.446 -0.456 20 0 FBADRM Nc1nc(C(=O)N=c2[n-]ncn2-c2ccccc2)nc(N2CCOCC2)n1 ZINC000570049248 484556194 /nfs/dbraw/zinc/55/61/94/484556194.db2.gz IJDGYAIBKXLHQU-UHFFFAOYSA-N -1 0 367.373 -0.455 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCN(C(=O)N(C)C)CC1)C(=O)[O-] ZINC000570082221 484161961 /nfs/dbraw/zinc/16/19/61/484161961.db2.gz VNYWRXMHTFTNFC-GFCCVEGCSA-N -1 0 356.423 -0.325 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)N(C)C)CC1)C(=O)[O-] ZINC000570082223 484161660 /nfs/dbraw/zinc/16/16/60/484161660.db2.gz VNYWRXMHTFTNFC-LBPRGKRZSA-N -1 0 356.423 -0.325 20 0 FBADRM CCNC(=O)c1cccc(NC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000570098928 484163535 /nfs/dbraw/zinc/16/35/35/484163535.db2.gz ZMVNKUJPOWRHRD-UHFFFAOYSA-N -1 0 362.386 -0.396 20 0 FBADRM C[C@@H](Cc1ccsc1)NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000570154614 484167661 /nfs/dbraw/zinc/16/76/61/484167661.db2.gz CSLOLCFYVZHWPQ-GXSJLCMTSA-N -1 0 374.440 -0.495 20 0 FBADRM C[C@H](Cc1ccsc1)NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000570154617 484168173 /nfs/dbraw/zinc/16/81/73/484168173.db2.gz CSLOLCFYVZHWPQ-KOLCDFICSA-N -1 0 374.440 -0.495 20 0 FBADRM C[C@H](Cc1ccsc1)NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000570154620 484167710 /nfs/dbraw/zinc/16/77/10/484167710.db2.gz CSLOLCFYVZHWPQ-MWLCHTKSSA-N -1 0 374.440 -0.495 20 0 FBADRM C[C@@H](Cc1ccsc1)NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000570154621 484167874 /nfs/dbraw/zinc/16/78/74/484167874.db2.gz CSLOLCFYVZHWPQ-ONGXEEELSA-N -1 0 374.440 -0.495 20 0 FBADRM CC(C)(NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000570158220 484168190 /nfs/dbraw/zinc/16/81/90/484168190.db2.gz OFMUWWMGVHKGAY-UHFFFAOYSA-N -1 0 350.418 -0.253 20 0 FBADRM Cn1c2nnc(CN3CCN(C(=O)C(=O)[O-])CC3)n2c2ccccc2c1=O ZINC000570166589 484167854 /nfs/dbraw/zinc/16/78/54/484167854.db2.gz STQWXFIKXODXDZ-UHFFFAOYSA-N -1 0 370.369 -0.690 20 0 FBADRM CC(C)[C@@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000570166659 484167927 /nfs/dbraw/zinc/16/79/27/484167927.db2.gz LNLJAQACKBVTIF-GFCCVEGCSA-N -1 0 370.493 -0.066 20 0 FBADRM CC(C)[C@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000570166660 484167833 /nfs/dbraw/zinc/16/78/33/484167833.db2.gz LNLJAQACKBVTIF-LBPRGKRZSA-N -1 0 370.493 -0.066 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC[C@@H](N3C[C@H](C(=O)[O-])CC3=O)C2)cn1 ZINC000570167067 484167949 /nfs/dbraw/zinc/16/79/49/484167949.db2.gz SKSOJVSSBVDHMX-GHMZBOCLSA-N -1 0 369.399 -0.214 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)[O-])CC3=O)C2)cn1 ZINC000570167068 484168009 /nfs/dbraw/zinc/16/80/09/484168009.db2.gz SKSOJVSSBVDHMX-MNOVXSKESA-N -1 0 369.399 -0.214 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)cn1 ZINC000570167069 484168251 /nfs/dbraw/zinc/16/82/51/484168251.db2.gz SKSOJVSSBVDHMX-QWRGUYRKSA-N -1 0 369.399 -0.214 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC[C@@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)cn1 ZINC000570167070 484168203 /nfs/dbraw/zinc/16/82/03/484168203.db2.gz SKSOJVSSBVDHMX-WDEREUQCSA-N -1 0 369.399 -0.214 20 0 FBADRM CCS(=O)(=O)N1CCC(NC(=O)N[C@](C)(COC)C(=O)[O-])CC1 ZINC000570232044 484173851 /nfs/dbraw/zinc/17/38/51/484173851.db2.gz BCZCLKDBUSOJIK-CYBMUJFWSA-N -1 0 351.425 -0.411 20 0 FBADRM CCS(=O)(=O)N1CCC(NC(=O)N[C@@](C)(COC)C(=O)[O-])CC1 ZINC000570232045 484174200 /nfs/dbraw/zinc/17/42/00/484174200.db2.gz BCZCLKDBUSOJIK-ZDUSSCGKSA-N -1 0 351.425 -0.411 20 0 FBADRM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)OC)c2)nc1 ZINC000570246826 484175129 /nfs/dbraw/zinc/17/51/29/484175129.db2.gz VJSKAZVVXCJJJC-UHFFFAOYSA-N -1 0 374.400 -0.095 20 0 FBADRM CCN(CCCNC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000570266847 484176695 /nfs/dbraw/zinc/17/66/95/484176695.db2.gz AWEVFQJXNBWSEI-NEPJUHHUSA-N -1 0 365.452 -0.068 20 0 FBADRM CCN(CCCNC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-])S(C)(=O)=O ZINC000570266848 484177098 /nfs/dbraw/zinc/17/70/98/484177098.db2.gz AWEVFQJXNBWSEI-NWDGAFQWSA-N -1 0 365.452 -0.068 20 0 FBADRM CCN(CCCNC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000570266849 484177215 /nfs/dbraw/zinc/17/72/15/484177215.db2.gz AWEVFQJXNBWSEI-RYUDHWBXSA-N -1 0 365.452 -0.068 20 0 FBADRM CCN(CCCNC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-])S(C)(=O)=O ZINC000570266850 484176861 /nfs/dbraw/zinc/17/68/61/484176861.db2.gz AWEVFQJXNBWSEI-VXGBXAGGSA-N -1 0 365.452 -0.068 20 0 FBADRM CS(=O)(=O)[C@@H]1CCC[C@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC000570276694 484176566 /nfs/dbraw/zinc/17/65/66/484176566.db2.gz MELMWJFHBBUUJU-AXFHLTTASA-N -1 0 354.450 -0.274 20 0 FBADRM CS(=O)(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C1 ZINC000570276695 484177364 /nfs/dbraw/zinc/17/73/64/484177364.db2.gz MELMWJFHBBUUJU-GMTAPVOTSA-N -1 0 354.450 -0.274 20 0 FBADRM CS(=O)(=O)[C@@H]1CCC[C@H](NS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C1 ZINC000570276696 484176661 /nfs/dbraw/zinc/17/66/61/484176661.db2.gz MELMWJFHBBUUJU-HBNTYKKESA-N -1 0 354.450 -0.274 20 0 FBADRM CS(=O)(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC000570276697 484177016 /nfs/dbraw/zinc/17/70/16/484177016.db2.gz MELMWJFHBBUUJU-MXWKQRLJSA-N -1 0 354.450 -0.274 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000570277022 484176504 /nfs/dbraw/zinc/17/65/04/484176504.db2.gz UNMVTBWBJBAPCN-SSDOTTSWSA-N -1 0 354.431 -0.242 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000570277023 484177112 /nfs/dbraw/zinc/17/71/12/484177112.db2.gz UNMVTBWBJBAPCN-ZETCQYMHSA-N -1 0 354.431 -0.242 20 0 FBADRM O=C([O-])Cc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000570277050 484177023 /nfs/dbraw/zinc/17/70/23/484177023.db2.gz WDNHNYWLTYUKRH-SECBINFHSA-N -1 0 351.377 -0.082 20 0 FBADRM O=C([O-])Cc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1F ZINC000570277051 484177075 /nfs/dbraw/zinc/17/70/75/484177075.db2.gz WDNHNYWLTYUKRH-VIFPVBQESA-N -1 0 351.377 -0.082 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000570279134 484177176 /nfs/dbraw/zinc/17/71/76/484177176.db2.gz HFZKUBPSFBAYTJ-NXEZZACHSA-N -1 0 363.374 -0.997 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000570279135 484176704 /nfs/dbraw/zinc/17/67/04/484176704.db2.gz HFZKUBPSFBAYTJ-UWVGGRQHSA-N -1 0 363.374 -0.997 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000570279136 484176390 /nfs/dbraw/zinc/17/63/90/484176390.db2.gz HFZKUBPSFBAYTJ-VHSXEESVSA-N -1 0 363.374 -0.997 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000570279137 484177105 /nfs/dbraw/zinc/17/71/05/484177105.db2.gz HFZKUBPSFBAYTJ-ZJUUUORDSA-N -1 0 363.374 -0.997 20 0 FBADRM C[C@H]1CCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C[C@H]1C(=O)[O-] ZINC000570279962 484177882 /nfs/dbraw/zinc/17/78/82/484177882.db2.gz RWLKTKMOWBRDJO-GXSJLCMTSA-N -1 0 360.370 -0.185 20 0 FBADRM C[C@@H]1CCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C[C@@H]1C(=O)[O-] ZINC000570279963 484178788 /nfs/dbraw/zinc/17/87/88/484178788.db2.gz RWLKTKMOWBRDJO-KOLCDFICSA-N -1 0 360.370 -0.185 20 0 FBADRM C[C@@H]1CCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C[C@H]1C(=O)[O-] ZINC000570279964 484177895 /nfs/dbraw/zinc/17/78/95/484177895.db2.gz RWLKTKMOWBRDJO-MWLCHTKSSA-N -1 0 360.370 -0.185 20 0 FBADRM C[C@H]1CCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C[C@@H]1C(=O)[O-] ZINC000570279965 484178562 /nfs/dbraw/zinc/17/85/62/484178562.db2.gz RWLKTKMOWBRDJO-ONGXEEELSA-N -1 0 360.370 -0.185 20 0 FBADRM O=C([O-])C1(C(=O)NCCCn2nc3n(c2=O)CCCC3)CCOCC1 ZINC000570283321 484177786 /nfs/dbraw/zinc/17/77/86/484177786.db2.gz XRBLMMLIHAQKFS-UHFFFAOYSA-N -1 0 352.391 -0.231 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C)cn1 ZINC000570285587 484177768 /nfs/dbraw/zinc/17/77/68/484177768.db2.gz DISWURBTUQTGQR-SECBINFHSA-N -1 0 364.449 -0.450 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C)cn1 ZINC000570285591 484178472 /nfs/dbraw/zinc/17/84/72/484178472.db2.gz DISWURBTUQTGQR-VIFPVBQESA-N -1 0 364.449 -0.450 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N(CCOC)CC(=O)[O-] ZINC000570306255 484181125 /nfs/dbraw/zinc/18/11/25/484181125.db2.gz FOZDZFWLHLFGPC-UHFFFAOYSA-N -1 0 366.417 -0.684 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2CCc3onc(C(=O)[O-])c3C2)CC1 ZINC000570313306 484179861 /nfs/dbraw/zinc/17/98/61/484179861.db2.gz NDBSXWDZZSUGNA-UHFFFAOYSA-N -1 0 373.387 -0.139 20 0 FBADRM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)[O-])O2 ZINC000570329406 484182426 /nfs/dbraw/zinc/18/24/26/484182426.db2.gz OWWRBHYIFOZICW-PELKAZGASA-N -1 0 363.413 -0.214 20 0 FBADRM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)[O-])O2 ZINC000570329407 484182755 /nfs/dbraw/zinc/18/27/55/484182755.db2.gz OWWRBHYIFOZICW-PRHODGIISA-N -1 0 363.413 -0.214 20 0 FBADRM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)[O-])O2 ZINC000570329408 484182681 /nfs/dbraw/zinc/18/26/81/484182681.db2.gz OWWRBHYIFOZICW-QPUJVOFHSA-N -1 0 363.413 -0.214 20 0 FBADRM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)[O-])O2 ZINC000570329409 484183264 /nfs/dbraw/zinc/18/32/64/484183264.db2.gz OWWRBHYIFOZICW-UFBFGSQYSA-N -1 0 363.413 -0.214 20 0 FBADRM COC(=O)c1cn(CCNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)nn1 ZINC000570352595 484184193 /nfs/dbraw/zinc/18/41/93/484184193.db2.gz RPWCHWVBHKPONP-UHFFFAOYSA-N -1 0 359.302 -0.756 20 0 FBADRM CCOC[C@@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000570375132 484186036 /nfs/dbraw/zinc/18/60/36/484186036.db2.gz YTIBQLLFPLMFTA-SNVBAGLBSA-N -1 0 352.390 -0.898 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000570393530 484189220 /nfs/dbraw/zinc/18/92/20/484189220.db2.gz IVUOYRWUQYNWIG-SECBINFHSA-N -1 0 364.401 -0.931 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000570393535 484188829 /nfs/dbraw/zinc/18/88/29/484188829.db2.gz IVUOYRWUQYNWIG-VIFPVBQESA-N -1 0 364.401 -0.931 20 0 FBADRM CS(=O)(=O)c1cccc(CS(=O)(=O)NCCOCC(=O)[O-])c1 ZINC000570393574 484189245 /nfs/dbraw/zinc/18/92/45/484189245.db2.gz KNUFKEMNTGWLKV-UHFFFAOYSA-N -1 0 351.402 -0.389 20 0 FBADRM O=C([O-])Cn1cc(CNS(=O)(=O)CCc2ccc3c(c2)CCO3)nn1 ZINC000570394880 484187463 /nfs/dbraw/zinc/18/74/63/484187463.db2.gz STABCWKUECNJHQ-UHFFFAOYSA-N -1 0 366.399 -0.040 20 0 FBADRM COc1ccc(NC(C)=O)cc1S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000570436002 484193252 /nfs/dbraw/zinc/19/32/52/484193252.db2.gz ZYQXRSVVCUOMHP-UHFFFAOYSA-N -1 0 356.360 -0.149 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)CCc1cccs1 ZINC000570442502 484194139 /nfs/dbraw/zinc/19/41/39/484194139.db2.gz AGTNXRZFIMXKOM-SECBINFHSA-N -1 0 358.401 -0.114 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)CCc1cccs1 ZINC000570442504 484194183 /nfs/dbraw/zinc/19/41/83/484194183.db2.gz AGTNXRZFIMXKOM-VIFPVBQESA-N -1 0 358.401 -0.114 20 0 FBADRM COCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000570448338 484194458 /nfs/dbraw/zinc/19/44/58/484194458.db2.gz WBUMNRZSHUHFFO-JTQLQIEISA-N -1 0 367.401 -0.198 20 0 FBADRM COCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000570448339 484195134 /nfs/dbraw/zinc/19/51/34/484195134.db2.gz WBUMNRZSHUHFFO-SNVBAGLBSA-N -1 0 367.401 -0.198 20 0 FBADRM CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000570450521 484194498 /nfs/dbraw/zinc/19/44/98/484194498.db2.gz IFIRDKOGWPUYBC-UHFFFAOYSA-N -1 0 369.399 -0.279 20 0 FBADRM CCN(C)C(=O)CNC(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000570451921 484196451 /nfs/dbraw/zinc/19/64/51/484196451.db2.gz YBPZDTONKAHVHB-KGLIPLIRSA-N -1 0 361.398 -0.092 20 0 FBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C(=O)[O-] ZINC000570453602 484195718 /nfs/dbraw/zinc/19/57/18/484195718.db2.gz GAWKENJAKXMHOL-MOFOKWOHSA-N -1 0 350.736 -0.113 20 0 FBADRM COCCNC(=O)CNS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000570455096 484196168 /nfs/dbraw/zinc/19/61/68/484196168.db2.gz LNRYRGWHGLEMDK-UHFFFAOYSA-N -1 0 364.351 -0.670 20 0 FBADRM C[C@@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccnn2C)cc1 ZINC000570463052 484195683 /nfs/dbraw/zinc/19/56/83/484195683.db2.gz PJGSDLTXTUOSGZ-SNVBAGLBSA-N -1 0 374.444 -0.120 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(C(=O)OC)c(F)c1)C(=O)[O-] ZINC000570473922 484198181 /nfs/dbraw/zinc/19/81/81/484198181.db2.gz WSJGWQHRJDDULZ-JTQLQIEISA-N -1 0 363.319 -0.093 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000570484937 484199119 /nfs/dbraw/zinc/19/91/19/484199119.db2.gz RGQZILOIKKNLFQ-UHFFFAOYSA-N -1 0 361.424 -0.828 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)cc1C ZINC000570493186 484199506 /nfs/dbraw/zinc/19/95/06/484199506.db2.gz IQNLLZBYRPKVGP-HZMBPMFUSA-N -1 0 374.440 -0.002 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)cc1C ZINC000570493191 484199094 /nfs/dbraw/zinc/19/90/94/484199094.db2.gz IQNLLZBYRPKVGP-QMTHXVAHSA-N -1 0 374.440 -0.002 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)cc1C(N)=O ZINC000570503947 484200903 /nfs/dbraw/zinc/20/09/03/484200903.db2.gz CKGBLYSUOKABDM-GWCFXTLKSA-N -1 0 356.400 -0.060 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)cc1C(N)=O ZINC000570503952 484200610 /nfs/dbraw/zinc/20/06/10/484200610.db2.gz CKGBLYSUOKABDM-GXFFZTMASA-N -1 0 356.400 -0.060 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)cc1C(N)=O ZINC000570503955 484200663 /nfs/dbraw/zinc/20/06/63/484200663.db2.gz CKGBLYSUOKABDM-MFKMUULPSA-N -1 0 356.400 -0.060 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)cc1C(N)=O ZINC000570503957 484200249 /nfs/dbraw/zinc/20/02/49/484200249.db2.gz CKGBLYSUOKABDM-ZWNOBZJWSA-N -1 0 356.400 -0.060 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c(C)c1 ZINC000570506468 484199654 /nfs/dbraw/zinc/19/96/54/484199654.db2.gz LBXKUNTZQYDBMN-UHFFFAOYSA-N -1 0 358.372 -0.349 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)ccc1C(=O)[O-] ZINC000570507817 484200556 /nfs/dbraw/zinc/20/05/56/484200556.db2.gz BDKFMNVGWWXICG-UHFFFAOYSA-N -1 0 369.399 -0.264 20 0 FBADRM CCS(=O)(=O)N(C)C1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000570512313 484202362 /nfs/dbraw/zinc/20/23/62/484202362.db2.gz JNNAWBUTDALYPZ-UHFFFAOYSA-N -1 0 356.466 -0.073 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000570522633 484201932 /nfs/dbraw/zinc/20/19/32/484201932.db2.gz BWEHWEWBTCCPHJ-KPWVOAKYSA-N -1 0 360.457 -0.047 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000570522634 484201502 /nfs/dbraw/zinc/20/15/02/484201502.db2.gz BWEHWEWBTCCPHJ-RKFFSXRUSA-N -1 0 360.457 -0.047 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000570522635 484201776 /nfs/dbraw/zinc/20/17/76/484201776.db2.gz BWEHWEWBTCCPHJ-SAHAZLINSA-N -1 0 360.457 -0.047 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000570522636 484202029 /nfs/dbraw/zinc/20/20/29/484202029.db2.gz BWEHWEWBTCCPHJ-XFNZEKPQSA-N -1 0 360.457 -0.047 20 0 FBADRM C[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccnn2C)cc1 ZINC000570528899 484202853 /nfs/dbraw/zinc/20/28/53/484202853.db2.gz DYNDATISVCAPJZ-JTQLQIEISA-N -1 0 374.444 -0.120 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CCc3onc(C(=O)[O-])c3C2)cn1C ZINC000570547553 484205437 /nfs/dbraw/zinc/20/54/37/484205437.db2.gz IOBXCMZMGNDFLO-UHFFFAOYSA-N -1 0 368.371 -0.182 20 0 FBADRM Cn1cc(NC(=O)c2c[n-]n3c2nc(=O)c2ccccc23)c(=O)n(C)c1=O ZINC000570551849 484205619 /nfs/dbraw/zinc/20/56/19/484205619.db2.gz SMUIQVUNMMQMKW-UHFFFAOYSA-N -1 0 366.337 -0.175 20 0 FBADRM CS(=O)(=O)NCCNS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000570568180 484209245 /nfs/dbraw/zinc/20/92/45/484209245.db2.gz LIYZICNATZRJOE-UHFFFAOYSA-N -1 0 356.809 -0.134 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000570569780 484210773 /nfs/dbraw/zinc/21/07/73/484210773.db2.gz BTCXPKWULJGXTN-NEPJUHHUSA-N -1 0 350.437 -0.100 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000570569781 484210302 /nfs/dbraw/zinc/21/03/02/484210302.db2.gz BTCXPKWULJGXTN-NWDGAFQWSA-N -1 0 350.437 -0.100 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000570569782 484210092 /nfs/dbraw/zinc/21/00/92/484210092.db2.gz BTCXPKWULJGXTN-RYUDHWBXSA-N -1 0 350.437 -0.100 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000570569783 484210205 /nfs/dbraw/zinc/21/02/05/484210205.db2.gz BTCXPKWULJGXTN-VXGBXAGGSA-N -1 0 350.437 -0.100 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CC(C)(C(N)=O)C2)c1 ZINC000570572233 484207993 /nfs/dbraw/zinc/20/79/93/484207993.db2.gz PTVHDDFNWUZVGK-UHFFFAOYSA-N -1 0 368.415 -0.036 20 0 FBADRM O=C([O-])C(=O)N1CCN(CC(=O)NCCc2c(F)cccc2F)CC1 ZINC000570572784 484207577 /nfs/dbraw/zinc/20/75/77/484207577.db2.gz BAMACJIWJNCZFZ-UHFFFAOYSA-N -1 0 355.341 -0.148 20 0 FBADRM NC(=O)CC[C@@H](NS(=O)(=O)CCc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000570574602 484207130 /nfs/dbraw/zinc/20/71/30/484207130.db2.gz QOWLATIWADQDLH-GFCCVEGCSA-N -1 0 356.400 -0.198 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000570588935 484212341 /nfs/dbraw/zinc/21/23/41/484212341.db2.gz SENRZJISZUAWFV-GXTWGEPZSA-N -1 0 374.415 -0.628 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000570588936 484212220 /nfs/dbraw/zinc/21/22/20/484212220.db2.gz SENRZJISZUAWFV-JSGCOSHPSA-N -1 0 374.415 -0.628 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000570588937 484212505 /nfs/dbraw/zinc/21/25/05/484212505.db2.gz SENRZJISZUAWFV-OCCSQVGLSA-N -1 0 374.415 -0.628 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000570588938 484212547 /nfs/dbraw/zinc/21/25/47/484212547.db2.gz SENRZJISZUAWFV-TZMCWYRMSA-N -1 0 374.415 -0.628 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cnn(C)c1C(=O)[O-] ZINC000570612623 484214323 /nfs/dbraw/zinc/21/43/23/484214323.db2.gz IWCKTAYANUZXOD-UHFFFAOYSA-N -1 0 354.410 -0.859 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCNC(=O)CC2)C1=O ZINC000570615080 484214942 /nfs/dbraw/zinc/21/49/42/484214942.db2.gz ITPVSEGMMZODJV-DZGCQCFKSA-N -1 0 374.397 -0.055 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCNC(=O)CC2)C1=O ZINC000570615081 484215395 /nfs/dbraw/zinc/21/53/95/484215395.db2.gz ITPVSEGMMZODJV-HIFRSBDPSA-N -1 0 374.397 -0.055 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCNC(=O)CC2)C1=O ZINC000570615082 484215248 /nfs/dbraw/zinc/21/52/48/484215248.db2.gz ITPVSEGMMZODJV-UKRRQHHQSA-N -1 0 374.397 -0.055 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCNC(=O)CC2)C1=O ZINC000570615083 484215655 /nfs/dbraw/zinc/21/56/55/484215655.db2.gz ITPVSEGMMZODJV-ZFWWWQNUSA-N -1 0 374.397 -0.055 20 0 FBADRM COCCN(Cc1ccnn1C)C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000570632436 484218839 /nfs/dbraw/zinc/21/88/39/484218839.db2.gz OLVCGIYGJHFYHZ-GXTWGEPZSA-N -1 0 366.418 -0.036 20 0 FBADRM COCCN(Cc1ccnn1C)C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000570632437 484218660 /nfs/dbraw/zinc/21/86/60/484218660.db2.gz OLVCGIYGJHFYHZ-JSGCOSHPSA-N -1 0 366.418 -0.036 20 0 FBADRM COCCN(Cc1ccnn1C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000570632438 484218246 /nfs/dbraw/zinc/21/82/46/484218246.db2.gz OLVCGIYGJHFYHZ-OCCSQVGLSA-N -1 0 366.418 -0.036 20 0 FBADRM COCCN(Cc1ccnn1C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000570632439 484218153 /nfs/dbraw/zinc/21/81/53/484218153.db2.gz OLVCGIYGJHFYHZ-TZMCWYRMSA-N -1 0 366.418 -0.036 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1CC(=O)[O-] ZINC000570636348 484218618 /nfs/dbraw/zinc/21/86/18/484218618.db2.gz LRQNEJDGLMAPER-JTQLQIEISA-N -1 0 363.413 -0.212 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1CC(=O)[O-] ZINC000570636349 484218003 /nfs/dbraw/zinc/21/80/03/484218003.db2.gz LRQNEJDGLMAPER-SNVBAGLBSA-N -1 0 363.413 -0.212 20 0 FBADRM CCn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])ccc21 ZINC000570672824 484225356 /nfs/dbraw/zinc/22/53/56/484225356.db2.gz YQBPGNWZAKNXLR-UHFFFAOYSA-N -1 0 371.371 -0.516 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000570713585 484233105 /nfs/dbraw/zinc/23/31/05/484233105.db2.gz SKSBXJWQCQFROI-MRVPVSSYSA-N -1 0 354.431 -0.242 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000570713586 484232783 /nfs/dbraw/zinc/23/27/83/484232783.db2.gz SKSBXJWQCQFROI-QMMMGPOBSA-N -1 0 354.431 -0.242 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCCCC(=O)[O-])CCN1C(=O)c1cnn(C)c1 ZINC000570720361 484234447 /nfs/dbraw/zinc/23/44/47/484234447.db2.gz DBXVRODBTXATNJ-NSHDSACASA-N -1 0 365.390 -0.926 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC(CS(C)(=O)=O)CC2)C[C@@H]1C(=O)[O-] ZINC000570720384 484234731 /nfs/dbraw/zinc/23/47/31/484234731.db2.gz FCRDWGCTTDCOGG-AAEUAGOBSA-N -1 0 374.459 -0.161 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC(CS(C)(=O)=O)CC2)C[C@H]1C(=O)[O-] ZINC000570720386 484234869 /nfs/dbraw/zinc/23/48/69/484234869.db2.gz FCRDWGCTTDCOGG-DGCLKSJQSA-N -1 0 374.459 -0.161 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC(CS(C)(=O)=O)CC2)C[C@H]1C(=O)[O-] ZINC000570720388 484234340 /nfs/dbraw/zinc/23/43/40/484234340.db2.gz FCRDWGCTTDCOGG-WCQYABFASA-N -1 0 374.459 -0.161 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC(CS(C)(=O)=O)CC2)C[C@@H]1C(=O)[O-] ZINC000570720390 484234509 /nfs/dbraw/zinc/23/45/09/484234509.db2.gz FCRDWGCTTDCOGG-YPMHNXCESA-N -1 0 374.459 -0.161 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)[C@@H]2C(=O)[O-])CC1 ZINC000570720695 484234825 /nfs/dbraw/zinc/23/48/25/484234825.db2.gz KEDRSUIFKQCNOZ-HOSYDEDBSA-N -1 0 364.420 -0.321 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)[C@@H]2C(=O)[O-])CC1 ZINC000570720696 484234255 /nfs/dbraw/zinc/23/42/55/484234255.db2.gz KEDRSUIFKQCNOZ-JBLDHEPKSA-N -1 0 364.420 -0.321 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)[C@H]2C(=O)[O-])CC1 ZINC000570720697 484234743 /nfs/dbraw/zinc/23/47/43/484234743.db2.gz KEDRSUIFKQCNOZ-NHCYSSNCSA-N -1 0 364.420 -0.321 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)[C@H]2C(=O)[O-])CC1 ZINC000570720698 484234503 /nfs/dbraw/zinc/23/45/03/484234503.db2.gz KEDRSUIFKQCNOZ-UMNHJUIQSA-N -1 0 364.420 -0.321 20 0 FBADRM C[C@H]1OCCN(S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)[C@@H]1C(=O)[O-] ZINC000570760095 484238593 /nfs/dbraw/zinc/23/85/93/484238593.db2.gz KODSLKXVOMHTSF-SKDRFNHKSA-N -1 0 359.404 -0.411 20 0 FBADRM CS(=O)(=O)N1CCC(CNC(=O)N2CCSC[C@@H]2C(=O)[O-])CC1 ZINC000570780605 484240552 /nfs/dbraw/zinc/24/05/52/484240552.db2.gz ZLTJLKFJDJEZHG-LLVKDONJSA-N -1 0 365.477 -0.130 20 0 FBADRM CS(=O)(=O)N1CCC(CNC(=O)N2CCSC[C@H]2C(=O)[O-])CC1 ZINC000570780606 484240149 /nfs/dbraw/zinc/24/01/49/484240149.db2.gz ZLTJLKFJDJEZHG-NSHDSACASA-N -1 0 365.477 -0.130 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)CCc2cccs2)CCS1(=O)=O ZINC000570793205 484242305 /nfs/dbraw/zinc/24/23/05/484242305.db2.gz YZLBRSISNBQSKH-JTQLQIEISA-N -1 0 353.443 -0.196 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)CCc2cccs2)CCS1(=O)=O ZINC000570793206 484241765 /nfs/dbraw/zinc/24/17/65/484241765.db2.gz YZLBRSISNBQSKH-SNVBAGLBSA-N -1 0 353.443 -0.196 20 0 FBADRM CCN(CCCNC(=O)N1CCSC[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000570796546 484243234 /nfs/dbraw/zinc/24/32/34/484243234.db2.gz OKCKMJAODCLNPM-JTQLQIEISA-N -1 0 353.466 -0.130 20 0 FBADRM CCN(CCCNC(=O)N1CCSC[C@@H]1C(=O)[O-])S(C)(=O)=O ZINC000570796548 484242994 /nfs/dbraw/zinc/24/29/94/484242994.db2.gz OKCKMJAODCLNPM-SNVBAGLBSA-N -1 0 353.466 -0.130 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC000570805018 484243689 /nfs/dbraw/zinc/24/36/89/484243689.db2.gz CNDRWJYHACQCPM-LLVKDONJSA-N -1 0 362.429 -0.374 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC000570805022 484242961 /nfs/dbraw/zinc/24/29/61/484242961.db2.gz CNDRWJYHACQCPM-NSHDSACASA-N -1 0 362.429 -0.374 20 0 FBADRM CC[C@H](CNS(C)(=O)=O)Nc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000570805593 484243443 /nfs/dbraw/zinc/24/34/43/484243443.db2.gz VNHOAHNSLDLUBH-MRVPVSSYSA-N -1 0 365.433 -0.228 20 0 FBADRM CC[C@@H](CNS(C)(=O)=O)Nc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000570805594 484243416 /nfs/dbraw/zinc/24/34/16/484243416.db2.gz VNHOAHNSLDLUBH-QMMMGPOBSA-N -1 0 365.433 -0.228 20 0 FBADRM CN1C[C@@H](NS(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)CC1=O ZINC000570805742 484243037 /nfs/dbraw/zinc/24/30/37/484243037.db2.gz NGYSKBFKNTUWRX-JTQLQIEISA-N -1 0 355.372 -0.990 20 0 FBADRM CN1C[C@H](NS(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)CC1=O ZINC000570805743 484244178 /nfs/dbraw/zinc/24/41/78/484244178.db2.gz NGYSKBFKNTUWRX-SNVBAGLBSA-N -1 0 355.372 -0.990 20 0 FBADRM O=C([O-])C(=O)N1CCN(CC(=O)NCCN2CCc3ccccc32)CC1 ZINC000570805997 484243241 /nfs/dbraw/zinc/24/32/41/484243241.db2.gz UROOEJWECPMRAD-UHFFFAOYSA-N -1 0 360.414 -0.606 20 0 FBADRM CCCS(=O)(=O)[N-]c1ccccc1C(=O)NCC(=O)NCC(=O)OC ZINC000570814113 484245294 /nfs/dbraw/zinc/24/52/94/484245294.db2.gz KNEDALKQLIQPGB-UHFFFAOYSA-N -1 0 371.415 -0.143 20 0 FBADRM CS(=O)(=O)[C@H]1CCC[C@@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000570840253 484250992 /nfs/dbraw/zinc/25/09/92/484250992.db2.gz YUHIBCHXXLTSTM-NEPJUHHUSA-N -1 0 368.477 -0.027 20 0 FBADRM CS(=O)(=O)[C@@H]1CCC[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000570840256 484250619 /nfs/dbraw/zinc/25/06/19/484250619.db2.gz YUHIBCHXXLTSTM-NWDGAFQWSA-N -1 0 368.477 -0.027 20 0 FBADRM CS(=O)(=O)[C@H]1CCC[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000570840257 484251631 /nfs/dbraw/zinc/25/16/31/484251631.db2.gz YUHIBCHXXLTSTM-RYUDHWBXSA-N -1 0 368.477 -0.027 20 0 FBADRM CS(=O)(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000570840258 484250918 /nfs/dbraw/zinc/25/09/18/484250918.db2.gz YUHIBCHXXLTSTM-VXGBXAGGSA-N -1 0 368.477 -0.027 20 0 FBADRM C[C@@H](NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000570842522 484249508 /nfs/dbraw/zinc/24/95/08/484249508.db2.gz OSRCYHOHTFMYKO-CHWFTXMASA-N -1 0 360.432 -0.601 20 0 FBADRM C[C@@H](NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000570842530 484249341 /nfs/dbraw/zinc/24/93/41/484249341.db2.gz OSRCYHOHTFMYKO-VPOLOUISSA-N -1 0 360.432 -0.601 20 0 FBADRM C[C@H](NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000570842531 484250235 /nfs/dbraw/zinc/25/02/35/484250235.db2.gz OSRCYHOHTFMYKO-XWLWVQCSSA-N -1 0 360.432 -0.601 20 0 FBADRM C[C@H](NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000570842533 484248897 /nfs/dbraw/zinc/24/88/97/484248897.db2.gz OSRCYHOHTFMYKO-ZRUFSTJUSA-N -1 0 360.432 -0.601 20 0 FBADRM O=C([O-])c1cnc(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cn1 ZINC000570842769 484249217 /nfs/dbraw/zinc/24/92/17/484249217.db2.gz RVSNMPLSQLKZJH-UHFFFAOYSA-N -1 0 360.330 -0.518 20 0 FBADRM NS(=O)(=O)c1ccc(NC[C@@H]2CS(=O)(=O)CCO2)c(C(=O)[O-])c1 ZINC000570849528 484250645 /nfs/dbraw/zinc/25/06/45/484250645.db2.gz QWIXACWMNVSGLU-MRVPVSSYSA-N -1 0 364.401 -0.742 20 0 FBADRM NS(=O)(=O)c1ccc(NC[C@H]2CS(=O)(=O)CCO2)c(C(=O)[O-])c1 ZINC000570849531 484250577 /nfs/dbraw/zinc/25/05/77/484250577.db2.gz QWIXACWMNVSGLU-QMMMGPOBSA-N -1 0 364.401 -0.742 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N1CCSC[C@H]1C(=O)[O-] ZINC000570905162 484258417 /nfs/dbraw/zinc/25/84/17/484258417.db2.gz WRZSQQPGZKDTCY-JTQLQIEISA-N -1 0 353.466 -0.130 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC000570905163 484257390 /nfs/dbraw/zinc/25/73/90/484257390.db2.gz WRZSQQPGZKDTCY-SNVBAGLBSA-N -1 0 353.466 -0.130 20 0 FBADRM CO[C@@H]1CCN(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)[C@@H](C(=O)[O-])C1 ZINC000570906285 484257485 /nfs/dbraw/zinc/25/74/85/484257485.db2.gz IDEGGANUQSWRGI-IJLUTSLNSA-N -1 0 363.436 -0.316 20 0 FBADRM CO[C@@H]1CCN(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)[C@@H](C(=O)[O-])C1 ZINC000570906286 484258641 /nfs/dbraw/zinc/25/86/41/484258641.db2.gz IDEGGANUQSWRGI-QJPTWQEYSA-N -1 0 363.436 -0.316 20 0 FBADRM CO[C@@H]1CCN(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)[C@H](C(=O)[O-])C1 ZINC000570906287 484258149 /nfs/dbraw/zinc/25/81/49/484258149.db2.gz IDEGGANUQSWRGI-TUAOUCFPSA-N -1 0 363.436 -0.316 20 0 FBADRM CO[C@@H]1CCN(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)[C@H](C(=O)[O-])C1 ZINC000570906288 484258047 /nfs/dbraw/zinc/25/80/47/484258047.db2.gz IDEGGANUQSWRGI-UTUOFQBUSA-N -1 0 363.436 -0.316 20 0 FBADRM O=C(CNS(=O)(=O)c1cnccc1C(F)(F)F)N1CC[NH2+]CC1 ZINC000570927294 484258246 /nfs/dbraw/zinc/25/82/46/484258246.db2.gz ZEARAXZIDHCFFH-UHFFFAOYSA-N -1 0 352.338 -0.190 20 0 FBADRM O=C([O-])[C@H](O)CNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000570941450 484291675 /nfs/dbraw/zinc/29/16/75/484291675.db2.gz GAMNTZPIAQNPBQ-SECBINFHSA-N -1 0 370.305 -0.298 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCOC2)cc1 ZINC000570956122 483909407 /nfs/dbraw/zinc/90/94/07/483909407.db2.gz UESABBFLBXTFSK-GFCCVEGCSA-N -1 0 364.401 -0.754 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N[C@]2(CC(=O)[O-])CCOC2)cc1 ZINC000570956123 483909839 /nfs/dbraw/zinc/90/98/39/483909839.db2.gz UESABBFLBXTFSK-LBPRGKRZSA-N -1 0 364.401 -0.754 20 0 FBADRM CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000570959821 483916075 /nfs/dbraw/zinc/91/60/75/483916075.db2.gz LGILQKBVJVJOOZ-MRVPVSSYSA-N -1 0 351.406 -0.585 20 0 FBADRM CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000570959822 483916237 /nfs/dbraw/zinc/91/62/37/483916237.db2.gz LGILQKBVJVJOOZ-QMMMGPOBSA-N -1 0 351.406 -0.585 20 0 FBADRM COCCN(CCOC)S(=O)(=O)NC1(C(=O)[O-])CCSCC1 ZINC000570959919 483916203 /nfs/dbraw/zinc/91/62/03/483916203.db2.gz OZBWTSSPIYSJRS-UHFFFAOYSA-N -1 0 356.466 -0.234 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCCCC(=O)[O-])cc1 ZINC000570965868 483917849 /nfs/dbraw/zinc/91/78/49/483917849.db2.gz NKSXZDJZEMOKKF-UHFFFAOYSA-N -1 0 357.388 -0.096 20 0 FBADRM CCOC[C@@H](NS(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000570987617 483919955 /nfs/dbraw/zinc/91/99/55/483919955.db2.gz WIJKZOPXEDKCSE-SECBINFHSA-N -1 0 351.402 -0.142 20 0 FBADRM Cn1cc(CN(CCn2ccnc2)C(=O)c2cnc([O-])n(C)c2=O)cn1 ZINC000571005961 483922181 /nfs/dbraw/zinc/92/21/81/483922181.db2.gz GWGIGROZYZZQIU-UHFFFAOYSA-N -1 0 357.374 -0.242 20 0 FBADRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1C(N)=O ZINC000571010464 483922571 /nfs/dbraw/zinc/92/25/71/483922571.db2.gz VBYDWRZTCDRFLQ-UHFFFAOYSA-N -1 0 363.355 -0.156 20 0 FBADRM NS(=O)(=O)CCOCCNS(=O)(=O)c1nc2ccccc2s1 ZINC000571042753 483929604 /nfs/dbraw/zinc/92/96/04/483929604.db2.gz OYEODFDQOYMKIT-UHFFFAOYSA-N -1 0 365.458 -0.120 20 0 FBADRM CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000571049859 483934489 /nfs/dbraw/zinc/93/44/89/483934489.db2.gz FBMOOKJOFKDWPB-UHFFFAOYSA-N -1 0 372.399 -0.371 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cnc(CC3CC3)nc2)c(=O)n(C)c1=O ZINC000571067371 484189911 /nfs/dbraw/zinc/18/99/11/484189911.db2.gz PZLMIQYJGQYVDY-UHFFFAOYSA-N -1 0 351.388 -0.373 20 0 FBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000571079884 484191772 /nfs/dbraw/zinc/19/17/72/484191772.db2.gz IPJDSQDCPZOOBA-UHFFFAOYSA-N -1 0 366.417 -0.194 20 0 FBADRM COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000571087800 484189972 /nfs/dbraw/zinc/18/99/72/484189972.db2.gz GNSOEDNVMJYHRE-JKDFXYPNSA-N -1 0 370.402 -0.406 20 0 FBADRM COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000571087801 484189888 /nfs/dbraw/zinc/18/98/88/484189888.db2.gz GNSOEDNVMJYHRE-PEBVRCNWSA-N -1 0 370.402 -0.406 20 0 FBADRM COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000571087802 484189928 /nfs/dbraw/zinc/18/99/28/484189928.db2.gz GNSOEDNVMJYHRE-PRXAMGSTSA-N -1 0 370.402 -0.406 20 0 FBADRM COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000571087803 484189086 /nfs/dbraw/zinc/18/90/86/484189086.db2.gz GNSOEDNVMJYHRE-QFSBIZTOSA-N -1 0 370.402 -0.406 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC000571094684 484191815 /nfs/dbraw/zinc/19/18/15/484191815.db2.gz TTXNTWWOMVLRRF-XYPYZODXSA-N -1 0 354.450 -0.559 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)Cc1ccccc1C(=O)OC)C(=O)[O-] ZINC000571164083 484198125 /nfs/dbraw/zinc/19/81/25/484198125.db2.gz CIPWCWQUFFEHLT-LLVKDONJSA-N -1 0 359.356 -0.091 20 0 FBADRM O=C([O-])c1cccc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000571164458 484198460 /nfs/dbraw/zinc/19/84/60/484198460.db2.gz HGEKCIUXPAVJPY-GFCCVEGCSA-N -1 0 354.384 -0.192 20 0 FBADRM O=C([O-])c1cccc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000571164459 484195732 /nfs/dbraw/zinc/19/57/32/484195732.db2.gz HGEKCIUXPAVJPY-LBPRGKRZSA-N -1 0 354.384 -0.192 20 0 FBADRM O=C(NCCN1c2ccccc2[N-]S1(=O)=O)[C@H]1CCCS1(=O)=O ZINC000571178778 484198090 /nfs/dbraw/zinc/19/80/90/484198090.db2.gz PEFLXHQSDXSTSG-GFCCVEGCSA-N -1 0 359.429 -0.143 20 0 FBADRM O=C(NCCN1c2ccccc2[N-]S1(=O)=O)[C@@H]1CCCS1(=O)=O ZINC000571178779 484198357 /nfs/dbraw/zinc/19/83/57/484198357.db2.gz PEFLXHQSDXSTSG-LBPRGKRZSA-N -1 0 359.429 -0.143 20 0 FBADRM COc1ccc(OC)c(NC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000571214886 484202626 /nfs/dbraw/zinc/20/26/26/484202626.db2.gz VBHBAQBQYUIVKT-UHFFFAOYSA-N -1 0 351.359 -0.129 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1C(=O)[O-] ZINC000571215655 484202105 /nfs/dbraw/zinc/20/21/05/484202105.db2.gz ZOOJKVHMCORVIU-SECBINFHSA-N -1 0 365.433 -0.574 20 0 FBADRM COC(=O)C1(O)CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000571284209 484211549 /nfs/dbraw/zinc/21/15/49/484211549.db2.gz OAAUSEXQSFJKPE-UHFFFAOYSA-N -1 0 350.327 -0.150 20 0 FBADRM COc1ccccc1OCCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000571313615 484226947 /nfs/dbraw/zinc/22/69/47/484226947.db2.gz KXQAQTFZTFYKCY-CYBMUJFWSA-N -1 0 372.399 -0.033 20 0 FBADRM COc1ccccc1OCCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000571313617 484226419 /nfs/dbraw/zinc/22/64/19/484226419.db2.gz KXQAQTFZTFYKCY-ZDUSSCGKSA-N -1 0 372.399 -0.033 20 0 FBADRM Cc1oc(S(=O)(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000571320332 484228941 /nfs/dbraw/zinc/22/89/41/484228941.db2.gz FYRFVGGJFLRGPO-MRVPVSSYSA-N -1 0 352.390 -0.402 20 0 FBADRM Cc1oc(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000571320334 484229245 /nfs/dbraw/zinc/22/92/45/484229245.db2.gz FYRFVGGJFLRGPO-QMMMGPOBSA-N -1 0 352.390 -0.402 20 0 FBADRM O=C([O-])CC1(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)CCOCC1 ZINC000571321306 484228555 /nfs/dbraw/zinc/22/85/55/484228555.db2.gz XAZFDDUGIYXZIR-UHFFFAOYSA-N -1 0 367.387 -0.036 20 0 FBADRM CS(=O)(=O)c1ccc(OCCN2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC000571330960 484231786 /nfs/dbraw/zinc/23/17/86/484231786.db2.gz LKUJEQQRWMFPBO-UHFFFAOYSA-N -1 0 356.400 -0.302 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CN(C)S(C)(=O)=O)ccc1[O-] ZINC000571358764 484241371 /nfs/dbraw/zinc/24/13/71/484241371.db2.gz ZVARATBPYILAPR-UHFFFAOYSA-N -1 0 351.406 -0.870 20 0 FBADRM CC[C@H](CCNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000571379725 484247973 /nfs/dbraw/zinc/24/79/73/484247973.db2.gz HYYAYCWWFKEDLQ-MRVPVSSYSA-N -1 0 370.387 -0.187 20 0 FBADRM CC[C@@H](CCNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000571379726 484248202 /nfs/dbraw/zinc/24/82/02/484248202.db2.gz HYYAYCWWFKEDLQ-QMMMGPOBSA-N -1 0 370.387 -0.187 20 0 FBADRM Cc1oc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)cc1C(=O)[O-] ZINC000571400438 484250054 /nfs/dbraw/zinc/25/00/54/484250054.db2.gz OIRNJIYSXDJRMI-UHFFFAOYSA-N -1 0 366.417 -0.058 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000571403844 484249392 /nfs/dbraw/zinc/24/93/92/484249392.db2.gz PADFVBXUAAHIKB-ZDUSSCGKSA-N -1 0 369.399 -0.001 20 0 FBADRM NS(=O)(=O)c1ccc(NCCCn2cc(CO)nn2)c(C(=O)[O-])c1 ZINC000571408496 484251788 /nfs/dbraw/zinc/25/17/88/484251788.db2.gz ZWOCNJHOYRDXPG-UHFFFAOYSA-N -1 0 355.376 -0.382 20 0 FBADRM CCc1[nH]c(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c(C)c1C(=O)OC ZINC000571444229 484255096 /nfs/dbraw/zinc/25/50/96/484255096.db2.gz JVSIRZIFMPOBDF-JTQLQIEISA-N -1 0 372.399 -0.004 20 0 FBADRM CCc1[nH]c(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c(C)c1C(=O)OC ZINC000571444230 484254671 /nfs/dbraw/zinc/25/46/71/484254671.db2.gz JVSIRZIFMPOBDF-SNVBAGLBSA-N -1 0 372.399 -0.004 20 0 FBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CCC(F)(F)F ZINC000571449843 484256737 /nfs/dbraw/zinc/25/67/37/484256737.db2.gz KFWPUOJVXMIXLI-SSDOTTSWSA-N -1 0 353.340 -0.158 20 0 FBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CCC(F)(F)F ZINC000571449844 484256507 /nfs/dbraw/zinc/25/65/07/484256507.db2.gz KFWPUOJVXMIXLI-ZETCQYMHSA-N -1 0 353.340 -0.158 20 0 FBADRM CCCc1n[n-]c(=NC(=O)c2nc(N)nc(N3CCOCC3)n2)s1 ZINC000571452306 484495247 /nfs/dbraw/zinc/49/52/47/484495247.db2.gz TUZKPFQYOSXCJD-UHFFFAOYSA-N -1 0 350.408 -0.231 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000571490638 484259486 /nfs/dbraw/zinc/25/94/86/484259486.db2.gz QGYNMUICOONAAL-UHFFFAOYSA-N -1 0 370.362 -0.119 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)cn1C ZINC000571502296 484266986 /nfs/dbraw/zinc/26/69/86/484266986.db2.gz CIIXRQWRYAOZBO-ABAIWWIYSA-N -1 0 372.399 -0.077 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)cn1C ZINC000571502297 484266422 /nfs/dbraw/zinc/26/64/22/484266422.db2.gz CIIXRQWRYAOZBO-IAQYHMDHSA-N -1 0 372.399 -0.077 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@]3(CCOC3)C2)cn1C ZINC000571502298 484266347 /nfs/dbraw/zinc/26/63/47/484266347.db2.gz CIIXRQWRYAOZBO-NHYWBVRUSA-N -1 0 372.399 -0.077 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@]3(CCOC3)C2)cn1C ZINC000571502299 484266039 /nfs/dbraw/zinc/26/60/39/484266039.db2.gz CIIXRQWRYAOZBO-XHDPSFHLSA-N -1 0 372.399 -0.077 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000571503177 484265714 /nfs/dbraw/zinc/26/57/14/484265714.db2.gz DOLJEHQSJAWGQN-PWSUYJOCSA-N -1 0 357.388 -0.011 20 0 FBADRM C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000571520679 484275664 /nfs/dbraw/zinc/27/56/64/484275664.db2.gz LSOUHMWXZKYXMX-CMPLNLGQSA-N -1 0 368.477 -0.217 20 0 FBADRM C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000571520683 484275376 /nfs/dbraw/zinc/27/53/76/484275376.db2.gz LSOUHMWXZKYXMX-JQWIXIFHSA-N -1 0 368.477 -0.217 20 0 FBADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000571520684 484276152 /nfs/dbraw/zinc/27/61/52/484276152.db2.gz LSOUHMWXZKYXMX-PWSUYJOCSA-N -1 0 368.477 -0.217 20 0 FBADRM C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000571520686 484275572 /nfs/dbraw/zinc/27/55/72/484275572.db2.gz LSOUHMWXZKYXMX-ZYHUDNBSSA-N -1 0 368.477 -0.217 20 0 FBADRM COc1ccc(S(=O)(=O)NCCNS(C)(=O)=O)cc1CC(=O)[O-] ZINC000571528183 484275561 /nfs/dbraw/zinc/27/55/61/484275561.db2.gz VJBUPTBLZFMVGX-UHFFFAOYSA-N -1 0 366.417 -0.850 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[C@@H](N3CCCC3=O)C1)C2 ZINC000571550568 484277636 /nfs/dbraw/zinc/27/76/36/484277636.db2.gz FJEJNHHMJSJMJP-VEVIJQCQSA-N -1 0 363.414 -0.077 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[C@H](N3CCCC3=O)C1)C2 ZINC000571550571 484276674 /nfs/dbraw/zinc/27/66/74/484276674.db2.gz FJEJNHHMJSJMJP-ZJNRKIDTSA-N -1 0 363.414 -0.077 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000571556133 484276844 /nfs/dbraw/zinc/27/68/44/484276844.db2.gz IXPAYAYTPGHPEO-SECBINFHSA-N -1 0 352.390 -0.320 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000571556142 484277391 /nfs/dbraw/zinc/27/73/91/484277391.db2.gz IXPAYAYTPGHPEO-VIFPVBQESA-N -1 0 352.390 -0.320 20 0 FBADRM Cn1cc(S(=O)(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000571568119 484278362 /nfs/dbraw/zinc/27/83/62/484278362.db2.gz KJKJQYFIMAEMIS-MRVPVSSYSA-N -1 0 351.406 -0.965 20 0 FBADRM Cn1cc(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000571568121 484278484 /nfs/dbraw/zinc/27/84/84/484278484.db2.gz KJKJQYFIMAEMIS-QMMMGPOBSA-N -1 0 351.406 -0.965 20 0 FBADRM CCCc1nc(=NC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)s[n-]1 ZINC000571623533 484281598 /nfs/dbraw/zinc/28/15/98/484281598.db2.gz DLSKEFRPPAKQKX-UHFFFAOYSA-N -1 0 374.492 -0.636 20 0 FBADRM O=C([O-])CSCC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000571630552 484295935 /nfs/dbraw/zinc/29/59/35/484295935.db2.gz QIFSECAJSRWZKI-UHFFFAOYSA-N -1 0 363.417 -0.534 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCn2cccc2[C@@H]1C(=O)[O-] ZINC000571633807 484297392 /nfs/dbraw/zinc/29/73/92/484297392.db2.gz DAFQKTVICQXNHA-LLVKDONJSA-N -1 0 365.433 -0.802 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCn2cccc2[C@H]1C(=O)[O-] ZINC000571633809 484297570 /nfs/dbraw/zinc/29/75/70/484297570.db2.gz DAFQKTVICQXNHA-NSHDSACASA-N -1 0 365.433 -0.802 20 0 FBADRM CS(=O)(=O)N1CCCN(S(=O)(=O)CCCCCC(=O)[O-])CC1 ZINC000571638666 484311499 /nfs/dbraw/zinc/31/14/99/484311499.db2.gz LJIKQNXUZDOXED-UHFFFAOYSA-N -1 0 356.466 -0.072 20 0 FBADRM C[C@](O)(CNC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)C(=O)[O-] ZINC000571641631 484387750 /nfs/dbraw/zinc/38/77/50/484387750.db2.gz LAAQAMZEDDPFQF-KRWDZBQOSA-N -1 0 364.402 -0.538 20 0 FBADRM C[C@@](O)(CNC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)C(=O)[O-] ZINC000571641638 484388945 /nfs/dbraw/zinc/38/89/45/484388945.db2.gz LAAQAMZEDDPFQF-QGZVFWFLSA-N -1 0 364.402 -0.538 20 0 FBADRM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NCCCC(=O)[O-])cc1 ZINC000571642413 484432891 /nfs/dbraw/zinc/43/28/91/484432891.db2.gz MENGJGOXZJZAHC-JTQLQIEISA-N -1 0 371.415 -0.247 20 0 FBADRM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NCCCC(=O)[O-])cc1 ZINC000571642415 484431442 /nfs/dbraw/zinc/43/14/42/484431442.db2.gz MENGJGOXZJZAHC-SNVBAGLBSA-N -1 0 371.415 -0.247 20 0 FBADRM O=C([O-])[C@H](O)CNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000571656771 483676971 /nfs/dbraw/zinc/67/69/71/483676971.db2.gz GFMROSGRVFNIPM-GFCCVEGCSA-N -1 0 354.384 -0.364 20 0 FBADRM O=C([C@H]1CC[C@@H](C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)O1)N1CCOCC1 ZINC000571669953 484045589 /nfs/dbraw/zinc/04/55/89/484045589.db2.gz LYXPFGXCKYMVBH-UPJWGTAASA-N -1 0 364.406 -0.688 20 0 FBADRM O=C([C@H]1CC[C@@H](C(=O)N2CCC[C@H](c3nnn[n-]3)C2)O1)N1CCOCC1 ZINC000571669954 484046201 /nfs/dbraw/zinc/04/62/01/484046201.db2.gz LYXPFGXCKYMVBH-XQQFMLRXSA-N -1 0 364.406 -0.688 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)s1 ZINC000571689404 484894680 /nfs/dbraw/zinc/89/46/80/484894680.db2.gz QFWMBBJHCYJJCW-UHFFFAOYSA-N -1 0 360.377 -0.744 20 0 FBADRM CO[C@@H]1COC[C@H]1n1cc(CNS(=O)(=O)[N-]CC(F)(F)F)nn1 ZINC000571693511 484895930 /nfs/dbraw/zinc/89/59/30/484895930.db2.gz HFCGLBYFLOEWKM-RKDXNWHRSA-N -1 0 359.330 -0.649 20 0 FBADRM COC(=O)c1c(OC)ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c1OC ZINC000571701664 484895686 /nfs/dbraw/zinc/89/56/86/484895686.db2.gz QLKNZHKMTFJYMR-SSDOTTSWSA-N -1 0 363.344 -0.786 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1)C(=O)[O-] ZINC000571712495 484896291 /nfs/dbraw/zinc/89/62/91/484896291.db2.gz RVSWYDQFVAYMEZ-LBPRGKRZSA-N -1 0 370.383 -0.127 20 0 FBADRM NS(=O)(=O)CCOCCNC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000571759086 484897934 /nfs/dbraw/zinc/89/79/34/484897934.db2.gz VGHBQGUPACOJQS-UHFFFAOYSA-N -1 0 372.378 -0.248 20 0 FBADRM CCS(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2C(=O)[O-])CC1 ZINC000571759387 484897467 /nfs/dbraw/zinc/89/74/67/484897467.db2.gz NXFUKVQOPIEORT-UHFFFAOYSA-N -1 0 363.417 -0.564 20 0 FBADRM O=C([O-])CCCS(=O)(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000571759504 484897761 /nfs/dbraw/zinc/89/77/61/484897761.db2.gz VEQUHKIXBBCXIK-UHFFFAOYSA-N -1 0 360.479 -0.851 20 0 FBADRM CC(C)N(CC(=O)[O-])C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000571763105 484900226 /nfs/dbraw/zinc/90/02/26/484900226.db2.gz YAMYUVCMEJXTLX-JTQLQIEISA-N -1 0 371.415 -0.226 20 0 FBADRM CC(C)N(CC(=O)[O-])C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000571763106 484899707 /nfs/dbraw/zinc/89/97/07/484899707.db2.gz YAMYUVCMEJXTLX-SNVBAGLBSA-N -1 0 371.415 -0.226 20 0 FBADRM O=C([O-])[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000571777234 484901055 /nfs/dbraw/zinc/90/10/55/484901055.db2.gz WPSDOEONEQMJHI-SECBINFHSA-N -1 0 370.305 -0.298 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCc2onc(C(=O)[O-])c2C1 ZINC000571784306 484901335 /nfs/dbraw/zinc/90/13/35/484901335.db2.gz ODERHZSXIXMISU-UHFFFAOYSA-N -1 0 367.405 -1.000 20 0 FBADRM COCCCn1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000571800131 484312495 /nfs/dbraw/zinc/31/24/95/484312495.db2.gz SQVZKBCLCYOAAZ-NEPJUHHUSA-N -1 0 352.391 0.427 20 0 FBADRM COCCCn1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000571800132 484313060 /nfs/dbraw/zinc/31/30/60/484313060.db2.gz SQVZKBCLCYOAAZ-NWDGAFQWSA-N -1 0 352.391 0.427 20 0 FBADRM COCCCn1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000571800133 484312637 /nfs/dbraw/zinc/31/26/37/484312637.db2.gz SQVZKBCLCYOAAZ-RYUDHWBXSA-N -1 0 352.391 0.427 20 0 FBADRM COCCCn1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000571800134 484312843 /nfs/dbraw/zinc/31/28/43/484312843.db2.gz SQVZKBCLCYOAAZ-VXGBXAGGSA-N -1 0 352.391 0.427 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C[C@H]1C(=O)[O-] ZINC000571800597 484901284 /nfs/dbraw/zinc/90/12/84/484901284.db2.gz DVPNPEXVSITMRI-KGYLQXTDSA-N -1 0 366.418 -0.382 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C[C@H]1C(=O)[O-] ZINC000571800598 484900910 /nfs/dbraw/zinc/90/09/10/484900910.db2.gz DVPNPEXVSITMRI-RAIGVLPGSA-N -1 0 366.418 -0.382 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C[C@@H]1C(=O)[O-] ZINC000571800599 484901254 /nfs/dbraw/zinc/90/12/54/484901254.db2.gz DVPNPEXVSITMRI-RTXFEEFZSA-N -1 0 366.418 -0.382 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C[C@@H]1C(=O)[O-] ZINC000571800600 484900940 /nfs/dbraw/zinc/90/09/40/484900940.db2.gz DVPNPEXVSITMRI-WXHSDQCUSA-N -1 0 366.418 -0.382 20 0 FBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)CCN3CCCS3(=O)=O)C2)nn1 ZINC000571804138 484902343 /nfs/dbraw/zinc/90/23/43/484902343.db2.gz IQYSSBWJNMZLNE-LLVKDONJSA-N -1 0 371.419 -0.435 20 0 FBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)CCN3CCCS3(=O)=O)C2)nn1 ZINC000571804139 484902770 /nfs/dbraw/zinc/90/27/70/484902770.db2.gz IQYSSBWJNMZLNE-NSHDSACASA-N -1 0 371.419 -0.435 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)NC2(C)CCC2)nn1 ZINC000571820210 484902679 /nfs/dbraw/zinc/90/26/79/484902679.db2.gz ALPVOGNOBIEGKB-UHFFFAOYSA-N -1 0 351.454 -0.191 20 0 FBADRM COCCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000571900286 484906250 /nfs/dbraw/zinc/90/62/50/484906250.db2.gz LSJZSFVOHBHGHL-UHFFFAOYSA-N -1 0 354.454 -0.540 20 0 FBADRM CS(=O)(=O)NCCNS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC000571915306 484908149 /nfs/dbraw/zinc/90/81/49/484908149.db2.gz GRIMHUBRQSGSLW-UHFFFAOYSA-N -1 0 354.381 -0.720 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CNS(=O)(=O)c2cccs2)n[n-]1 ZINC000571929989 484908592 /nfs/dbraw/zinc/90/85/92/484908592.db2.gz GJBBNLLVIIXKLQ-UHFFFAOYSA-N -1 0 365.418 -0.813 20 0 FBADRM C[C@@H]1OCC[C@@]1(O)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000571935767 484908556 /nfs/dbraw/zinc/90/85/56/484908556.db2.gz SNWAAIISCRAWHZ-LKFCYVNXSA-N -1 0 364.370 -0.101 20 0 FBADRM C[C@H]1OCC[C@]1(O)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000571935770 484908399 /nfs/dbraw/zinc/90/83/99/484908399.db2.gz SNWAAIISCRAWHZ-OTYXRUKQSA-N -1 0 364.370 -0.101 20 0 FBADRM C[C@@H]1OCC[C@]1(O)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000571935771 484908622 /nfs/dbraw/zinc/90/86/22/484908622.db2.gz SNWAAIISCRAWHZ-XPTSAGLGSA-N -1 0 364.370 -0.101 20 0 FBADRM C[C@H]1OCC[C@@]1(O)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000571935773 484909006 /nfs/dbraw/zinc/90/90/06/484909006.db2.gz SNWAAIISCRAWHZ-YMTOWFKASA-N -1 0 364.370 -0.101 20 0 FBADRM CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](CCO)C(=O)[O-] ZINC000571944664 484910264 /nfs/dbraw/zinc/91/02/64/484910264.db2.gz RTJFDMUNKUHJOZ-SECBINFHSA-N -1 0 366.417 -0.901 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)F)cn1 ZINC000571957838 484908388 /nfs/dbraw/zinc/90/83/88/484908388.db2.gz ZYVWZZDCBYHOLK-SSDOTTSWSA-N -1 0 355.319 -0.310 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)F)cn1 ZINC000571957853 484908225 /nfs/dbraw/zinc/90/82/25/484908225.db2.gz ZYVWZZDCBYHOLK-ZETCQYMHSA-N -1 0 355.319 -0.310 20 0 FBADRM Cn1cc([C@@H](CO)NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)cn1 ZINC000571965900 484911114 /nfs/dbraw/zinc/91/11/14/484911114.db2.gz DYEUHFHBWVPJRJ-GFCCVEGCSA-N -1 0 374.369 -0.174 20 0 FBADRM Cn1cc([C@H](CO)NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)cn1 ZINC000571965902 484910512 /nfs/dbraw/zinc/91/05/12/484910512.db2.gz DYEUHFHBWVPJRJ-LBPRGKRZSA-N -1 0 374.369 -0.174 20 0 FBADRM CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000572005488 484912515 /nfs/dbraw/zinc/91/25/15/484912515.db2.gz CBQRFPOCKHLEDC-JTQLQIEISA-N -1 0 371.415 -0.496 20 0 FBADRM CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000572005489 484912433 /nfs/dbraw/zinc/91/24/33/484912433.db2.gz CBQRFPOCKHLEDC-SNVBAGLBSA-N -1 0 371.415 -0.496 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(CNC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000572034554 484914059 /nfs/dbraw/zinc/91/40/59/484914059.db2.gz KOUARBSUKFENDK-UHFFFAOYSA-N -1 0 366.399 -0.334 20 0 FBADRM CC[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)NCCOC)c1)C(=O)[O-] ZINC000572037674 484913923 /nfs/dbraw/zinc/91/39/23/484913923.db2.gz CARCGZHCJVVINQ-GFCCVEGCSA-N -1 0 351.359 -0.019 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CCOC(F)(F)F ZINC000572086663 484916897 /nfs/dbraw/zinc/91/68/97/484916897.db2.gz LKJOKBJCFGZCNV-LURJTMIESA-N -1 0 355.312 -0.964 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CCOC(F)(F)F ZINC000572086664 484916876 /nfs/dbraw/zinc/91/68/76/484916876.db2.gz LKJOKBJCFGZCNV-ZCFIWIBFSA-N -1 0 355.312 -0.964 20 0 FBADRM CN(C)c1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC000572096386 484918406 /nfs/dbraw/zinc/91/84/06/484918406.db2.gz IFXSUNQPUAYZQE-GFCCVEGCSA-N -1 0 362.429 -0.375 20 0 FBADRM CN(C)c1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC000572096387 484918696 /nfs/dbraw/zinc/91/86/96/484918696.db2.gz IFXSUNQPUAYZQE-LBPRGKRZSA-N -1 0 362.429 -0.375 20 0 FBADRM Cc1cccn2cc(CC(=O)N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)nc12 ZINC000572112798 484918863 /nfs/dbraw/zinc/91/88/63/484918863.db2.gz BPVYALMZTRSWBI-GFCCVEGCSA-N -1 0 351.384 -0.105 20 0 FBADRM Cc1cccn2cc(CC(=O)N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)nc12 ZINC000572112799 484918501 /nfs/dbraw/zinc/91/85/01/484918501.db2.gz BPVYALMZTRSWBI-LBPRGKRZSA-N -1 0 351.384 -0.105 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000572118023 484918964 /nfs/dbraw/zinc/91/89/64/484918964.db2.gz IBHXYLAPVJZLGY-MRVPVSSYSA-N -1 0 351.406 -0.585 20 0 FBADRM NC(=O)c1cccnc1N1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC000572119781 484918361 /nfs/dbraw/zinc/91/83/61/484918361.db2.gz WSWXVNJWEWWUTA-UHFFFAOYSA-N -1 0 356.342 -0.369 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000572120915 484918076 /nfs/dbraw/zinc/91/80/76/484918076.db2.gz HFBGCWPGHBWQCN-LLVKDONJSA-N -1 0 369.399 -0.144 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000572120923 484918269 /nfs/dbraw/zinc/91/82/69/484918269.db2.gz HFBGCWPGHBWQCN-NSHDSACASA-N -1 0 369.399 -0.144 20 0 FBADRM CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc1F ZINC000572135512 484919373 /nfs/dbraw/zinc/91/93/73/484919373.db2.gz CEWAWIJRIHYPTJ-SNVBAGLBSA-N -1 0 370.380 -0.689 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000572153251 484921516 /nfs/dbraw/zinc/92/15/16/484921516.db2.gz LGAFKAFWJYXXMR-MRVPVSSYSA-N -1 0 352.390 -0.320 20 0 FBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000572153378 484921555 /nfs/dbraw/zinc/92/15/55/484921555.db2.gz UBTUDOGVHFHAFH-NXEZZACHSA-N -1 0 356.466 -0.219 20 0 FBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000572153379 484920925 /nfs/dbraw/zinc/92/09/25/484920925.db2.gz UBTUDOGVHFHAFH-UWVGGRQHSA-N -1 0 356.466 -0.219 20 0 FBADRM C[C@H]([C@H](C)N(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1)S(C)(=O)=O ZINC000572153380 484921156 /nfs/dbraw/zinc/92/11/56/484921156.db2.gz UBTUDOGVHFHAFH-VHSXEESVSA-N -1 0 356.466 -0.219 20 0 FBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000572153381 484921438 /nfs/dbraw/zinc/92/14/38/484921438.db2.gz UBTUDOGVHFHAFH-ZJUUUORDSA-N -1 0 356.466 -0.219 20 0 FBADRM CCS(=O)(=O)N(C)CCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000572153459 484921345 /nfs/dbraw/zinc/92/13/45/484921345.db2.gz YGAHFRXZVRCFDL-UHFFFAOYSA-N -1 0 371.481 -0.711 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000572154495 484921205 /nfs/dbraw/zinc/92/12/05/484921205.db2.gz XZYVYFKAJPBGCR-CYBMUJFWSA-N -1 0 355.376 -0.180 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000572154496 484921419 /nfs/dbraw/zinc/92/14/19/484921419.db2.gz XZYVYFKAJPBGCR-ZDUSSCGKSA-N -1 0 355.376 -0.180 20 0 FBADRM COC(=O)c1cn(CCNS(=O)(=O)c2cccc(CC(=O)[O-])c2)nn1 ZINC000572165551 484921396 /nfs/dbraw/zinc/92/13/96/484921396.db2.gz VINKHCYJFSXDEE-UHFFFAOYSA-N -1 0 368.371 -0.330 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCCN2CCCC2=O)c1 ZINC000572171273 484923255 /nfs/dbraw/zinc/92/32/55/484923255.db2.gz LHTUUYKQAVTPRO-UHFFFAOYSA-N -1 0 355.416 -0.005 20 0 FBADRM CCOC(=O)c1cn(C)[n-]c1=NC(=O)C(=O)N=c1cc(C2CC2)n(C)[nH]1 ZINC000572172963 484923203 /nfs/dbraw/zinc/92/32/03/484923203.db2.gz YLGQIUDWDIAHAN-UHFFFAOYSA-N -1 0 360.374 -0.371 20 0 FBADRM CCNC(=O)C1CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000572210416 484924132 /nfs/dbraw/zinc/92/41/32/484924132.db2.gz LANUOARHKCQCHQ-UHFFFAOYSA-N -1 0 361.370 -0.162 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC000572240057 484925424 /nfs/dbraw/zinc/92/54/24/484925424.db2.gz YCUBDOPVAWRQHG-UHFFFAOYSA-N -1 0 356.466 -0.025 20 0 FBADRM CC[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C(=O)[O-] ZINC000572243205 484439084 /nfs/dbraw/zinc/43/90/84/484439084.db2.gz QLBFKFXZCBHRGP-GFCCVEGCSA-N -1 0 356.342 0.116 20 0 FBADRM CC[C@@H](NC(=O)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C)C(=O)[O-] ZINC000572243425 484924416 /nfs/dbraw/zinc/92/44/16/484924416.db2.gz YGIBILNCBNSENZ-SNVBAGLBSA-N -1 0 357.388 -0.131 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2F)CCS1(=O)=O ZINC000572273001 484929198 /nfs/dbraw/zinc/92/91/98/484929198.db2.gz IOOXWCJLVCWMRU-LLVKDONJSA-N -1 0 369.367 -0.022 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2F)CCS1(=O)=O ZINC000572273004 484928431 /nfs/dbraw/zinc/92/84/31/484928431.db2.gz IOOXWCJLVCWMRU-NSHDSACASA-N -1 0 369.367 -0.022 20 0 FBADRM CS(=O)(=O)N1CCC(NS(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC000572281468 484929826 /nfs/dbraw/zinc/92/98/26/484929826.db2.gz IFOFUSYVMDKABQ-UHFFFAOYSA-N -1 0 369.446 -0.456 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000572281618 484930227 /nfs/dbraw/zinc/93/02/27/484930227.db2.gz OKPIGKQIUNRFJU-SSDOTTSWSA-N -1 0 369.446 -0.456 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000572281619 484931030 /nfs/dbraw/zinc/93/10/30/484931030.db2.gz OKPIGKQIUNRFJU-ZETCQYMHSA-N -1 0 369.446 -0.456 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000572292833 484934130 /nfs/dbraw/zinc/93/41/30/484934130.db2.gz UOJNPRCFJWIZGV-LLVKDONJSA-N -1 0 362.429 -0.245 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000572292834 484934219 /nfs/dbraw/zinc/93/42/19/484934219.db2.gz UOJNPRCFJWIZGV-NSHDSACASA-N -1 0 362.429 -0.245 20 0 FBADRM COc1c(F)cc(CC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000572313899 484934766 /nfs/dbraw/zinc/93/47/66/484934766.db2.gz WKGVSVUUMXDSGR-SECBINFHSA-N -1 0 360.363 -0.043 20 0 FBADRM COc1c(F)cc(CC(=O)N2CC[C@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000572313900 484933621 /nfs/dbraw/zinc/93/36/21/484933621.db2.gz WKGVSVUUMXDSGR-VIFPVBQESA-N -1 0 360.363 -0.043 20 0 FBADRM COCCOc1ccc(F)cc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000572334667 484936123 /nfs/dbraw/zinc/93/61/23/484936123.db2.gz OROGMKLMPWLJEH-PELKAZGASA-N -1 0 351.352 -0.037 20 0 FBADRM CCC[C@@H]1CCN(S(=O)(=O)CCNS(=O)(=O)CC)[C@H]1C(=O)[O-] ZINC000572338841 484935603 /nfs/dbraw/zinc/93/56/03/484935603.db2.gz YIONDLKSWNDXLR-GHMZBOCLSA-N -1 0 356.466 -0.169 20 0 FBADRM CCC[C@@H]1CCN(S(=O)(=O)CCNS(=O)(=O)CC)[C@@H]1C(=O)[O-] ZINC000572338842 484935650 /nfs/dbraw/zinc/93/56/50/484935650.db2.gz YIONDLKSWNDXLR-MNOVXSKESA-N -1 0 356.466 -0.169 20 0 FBADRM CCC[C@H]1CCN(S(=O)(=O)CCNS(=O)(=O)CC)[C@@H]1C(=O)[O-] ZINC000572338843 484936096 /nfs/dbraw/zinc/93/60/96/484936096.db2.gz YIONDLKSWNDXLR-QWRGUYRKSA-N -1 0 356.466 -0.169 20 0 FBADRM CCC[C@H]1CCN(S(=O)(=O)CCNS(=O)(=O)CC)[C@H]1C(=O)[O-] ZINC000572338844 484936410 /nfs/dbraw/zinc/93/64/10/484936410.db2.gz YIONDLKSWNDXLR-WDEREUQCSA-N -1 0 356.466 -0.169 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CC(OCC(=O)N(C)C)C2)ccc1C(=O)[O-] ZINC000572354679 484939225 /nfs/dbraw/zinc/93/92/25/484939225.db2.gz YPQNDUFORNWIBO-UHFFFAOYSA-N -1 0 363.370 -0.053 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC000572360645 484940601 /nfs/dbraw/zinc/94/06/01/484940601.db2.gz BQDYDYYOBGQKHC-UHFFFAOYSA-N -1 0 362.429 -0.420 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000572363247 484941998 /nfs/dbraw/zinc/94/19/98/484941998.db2.gz QLFLDRHAELHBTN-UHFFFAOYSA-N -1 0 368.477 -0.297 20 0 FBADRM CCO[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)[C@@H]1n1cccn1 ZINC000572364468 484941432 /nfs/dbraw/zinc/94/14/32/484941432.db2.gz CPCASVIZMIRHEM-LOWDOPEQSA-N -1 0 362.390 -0.453 20 0 FBADRM CCO[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)[C@@H]1n1cccn1 ZINC000572364469 484941689 /nfs/dbraw/zinc/94/16/89/484941689.db2.gz CPCASVIZMIRHEM-RVMXOQNASA-N -1 0 362.390 -0.453 20 0 FBADRM CCO[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)[C@H]1n1cccn1 ZINC000572364470 484942268 /nfs/dbraw/zinc/94/22/68/484942268.db2.gz CPCASVIZMIRHEM-UMSGYPCISA-N -1 0 362.390 -0.453 20 0 FBADRM CCO[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)[C@H]1n1cccn1 ZINC000572364471 484941275 /nfs/dbraw/zinc/94/12/75/484941275.db2.gz CPCASVIZMIRHEM-WUHRBBMRSA-N -1 0 362.390 -0.453 20 0 FBADRM CN1C[C@H](NS(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)CC1=O ZINC000572369228 484942855 /nfs/dbraw/zinc/94/28/55/484942855.db2.gz ZHJWWTDTOIRBLX-MRVPVSSYSA-N -1 0 356.356 -0.335 20 0 FBADRM CN1C[C@@H](NS(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)CC1=O ZINC000572369229 484943212 /nfs/dbraw/zinc/94/32/12/484943212.db2.gz ZHJWWTDTOIRBLX-QMMMGPOBSA-N -1 0 356.356 -0.335 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)CCOC(F)(F)F ZINC000572418546 484967685 /nfs/dbraw/zinc/96/76/85/484967685.db2.gz KGHMWQYKJCZZDV-SSDOTTSWSA-N -1 0 350.315 -0.236 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)CCOC(F)(F)F ZINC000572418547 484968285 /nfs/dbraw/zinc/96/82/85/484968285.db2.gz KGHMWQYKJCZZDV-ZETCQYMHSA-N -1 0 350.315 -0.236 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cc(F)cc(C(=O)OC)c1)C(=O)[O-] ZINC000572458701 484979416 /nfs/dbraw/zinc/97/94/16/484979416.db2.gz DWMJHERGGWJSKZ-SNVBAGLBSA-N -1 0 363.319 -0.093 20 0 FBADRM COCCOc1ccccc1S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000572468065 484982839 /nfs/dbraw/zinc/98/28/39/484982839.db2.gz BNXRKXASCGKLAX-UHFFFAOYSA-N -1 0 360.388 -0.419 20 0 FBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000572468077 484982371 /nfs/dbraw/zinc/98/23/71/484982371.db2.gz DPTUNKHYSPCBJN-NXEZZACHSA-N -1 0 350.393 -0.772 20 0 FBADRM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000572468078 484982806 /nfs/dbraw/zinc/98/28/06/484982806.db2.gz DPTUNKHYSPCBJN-UWVGGRQHSA-N -1 0 350.393 -0.772 20 0 FBADRM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000572468079 484982939 /nfs/dbraw/zinc/98/29/39/484982939.db2.gz DPTUNKHYSPCBJN-VHSXEESVSA-N -1 0 350.393 -0.772 20 0 FBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000572468080 484983549 /nfs/dbraw/zinc/98/35/49/484983549.db2.gz DPTUNKHYSPCBJN-ZJUUUORDSA-N -1 0 350.393 -0.772 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CSC[C@H]2CCCCO2)CCS1(=O)=O ZINC000572474705 485291420 /nfs/dbraw/zinc/29/14/20/485291420.db2.gz HBDRDKFMEPTLFT-GHMZBOCLSA-N -1 0 351.446 -0.001 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CSC[C@H]2CCCCO2)CCS1(=O)=O ZINC000572474706 485291108 /nfs/dbraw/zinc/29/11/08/485291108.db2.gz HBDRDKFMEPTLFT-MNOVXSKESA-N -1 0 351.446 -0.001 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CSC[C@@H]2CCCCO2)CCS1(=O)=O ZINC000572474707 485291683 /nfs/dbraw/zinc/29/16/83/485291683.db2.gz HBDRDKFMEPTLFT-QWRGUYRKSA-N -1 0 351.446 -0.001 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CSC[C@@H]2CCCCO2)CCS1(=O)=O ZINC000572474708 485291148 /nfs/dbraw/zinc/29/11/48/485291148.db2.gz HBDRDKFMEPTLFT-WDEREUQCSA-N -1 0 351.446 -0.001 20 0 FBADRM C[C@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000572479647 483937034 /nfs/dbraw/zinc/93/70/34/483937034.db2.gz CMMNDZASVAZWIF-GHMZBOCLSA-N -1 0 368.477 -0.075 20 0 FBADRM C[C@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000572479648 483936203 /nfs/dbraw/zinc/93/62/03/483936203.db2.gz CMMNDZASVAZWIF-MNOVXSKESA-N -1 0 368.477 -0.075 20 0 FBADRM C[C@@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000572479649 483936494 /nfs/dbraw/zinc/93/64/94/483936494.db2.gz CMMNDZASVAZWIF-QWRGUYRKSA-N -1 0 368.477 -0.075 20 0 FBADRM C[C@@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000572479650 483937256 /nfs/dbraw/zinc/93/72/56/483937256.db2.gz CMMNDZASVAZWIF-WDEREUQCSA-N -1 0 368.477 -0.075 20 0 FBADRM CN1CCN(C(=O)N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)CC1=O ZINC000572492960 484216929 /nfs/dbraw/zinc/21/69/29/484216929.db2.gz VOWBPDUXCPFXND-DZGCQCFKSA-N -1 0 374.397 -0.103 20 0 FBADRM CN1CCN(C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)CC1=O ZINC000572492961 484216833 /nfs/dbraw/zinc/21/68/33/484216833.db2.gz VOWBPDUXCPFXND-HIFRSBDPSA-N -1 0 374.397 -0.103 20 0 FBADRM CN1CCN(C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)CC1=O ZINC000572492962 484217151 /nfs/dbraw/zinc/21/71/51/484217151.db2.gz VOWBPDUXCPFXND-UKRRQHHQSA-N -1 0 374.397 -0.103 20 0 FBADRM CN1CCN(C(=O)N[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)CC1=O ZINC000572492963 484217515 /nfs/dbraw/zinc/21/75/15/484217515.db2.gz VOWBPDUXCPFXND-ZFWWWQNUSA-N -1 0 374.397 -0.103 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)C1 ZINC000572510430 484309245 /nfs/dbraw/zinc/30/92/45/484309245.db2.gz IPYWCGLEWDVNIU-AVGNSLFASA-N -1 0 351.403 -0.031 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)C1 ZINC000572510431 484308570 /nfs/dbraw/zinc/30/85/70/484308570.db2.gz IPYWCGLEWDVNIU-RWMBFGLXSA-N -1 0 351.403 -0.031 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)C1 ZINC000572510432 484309260 /nfs/dbraw/zinc/30/92/60/484309260.db2.gz IPYWCGLEWDVNIU-XQQFMLRXSA-N -1 0 351.403 -0.031 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)C1 ZINC000572510433 484308639 /nfs/dbraw/zinc/30/86/39/484308639.db2.gz IPYWCGLEWDVNIU-YNEHKIRRSA-N -1 0 351.403 -0.031 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@@H](C)C(=O)[O-])c1 ZINC000572522802 484303435 /nfs/dbraw/zinc/30/34/35/484303435.db2.gz MMPYTWUSNPVBCQ-BDAKNGLRSA-N -1 0 357.388 -0.241 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@H](C)C(=O)[O-])c1 ZINC000572522803 484304052 /nfs/dbraw/zinc/30/40/52/484304052.db2.gz MMPYTWUSNPVBCQ-DTWKUNHWSA-N -1 0 357.388 -0.241 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@H](C)C(=O)[O-])c1 ZINC000572522804 484303338 /nfs/dbraw/zinc/30/33/38/484303338.db2.gz MMPYTWUSNPVBCQ-IUCAKERBSA-N -1 0 357.388 -0.241 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@@H](C)C(=O)[O-])c1 ZINC000572522805 484304020 /nfs/dbraw/zinc/30/40/20/484304020.db2.gz MMPYTWUSNPVBCQ-RKDXNWHRSA-N -1 0 357.388 -0.241 20 0 FBADRM Cn1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCOC3)cc2)nn1 ZINC000572541555 485079203 /nfs/dbraw/zinc/07/92/03/485079203.db2.gz CJCBXDHCGSCDKU-UHFFFAOYSA-N -1 0 373.416 -0.406 20 0 FBADRM C[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccn(C)n2)cc1 ZINC000572542473 485081609 /nfs/dbraw/zinc/08/16/09/485081609.db2.gz BUZWTTUAMMULIX-JTQLQIEISA-N -1 0 374.444 -0.120 20 0 FBADRM COCc1cc(C(=O)OC)cc(S(=O)(=O)NCCOCC(=O)[O-])c1 ZINC000572552849 485118914 /nfs/dbraw/zinc/11/89/14/485118914.db2.gz XQMJLWYCQUDTSA-UHFFFAOYSA-N -1 0 361.372 -0.001 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CNS(=O)(=O)c2ccccc2)n[n-]1 ZINC000572566522 485178066 /nfs/dbraw/zinc/17/80/66/485178066.db2.gz OXVZWAKVGICJEB-UHFFFAOYSA-N -1 0 359.389 -0.875 20 0 FBADRM CN(C)c1cc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)ncn1 ZINC000572569448 485187722 /nfs/dbraw/zinc/18/77/22/485187722.db2.gz DPXDVEMQNJCKHM-UHFFFAOYSA-N -1 0 357.417 -0.009 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000572575359 485211269 /nfs/dbraw/zinc/21/12/69/485211269.db2.gz VSPBNFDXMXYGBF-VIFPVBQESA-N -1 0 368.408 -0.499 20 0 FBADRM C[C@H]1OCCN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)[C@@H]1C(=O)[O-] ZINC000572581476 485244943 /nfs/dbraw/zinc/24/49/43/485244943.db2.gz NPQROCWVICNDKZ-SKDRFNHKSA-N -1 0 367.387 -0.260 20 0 FBADRM O=C([O-])[C@@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)[C@H]1CCCOC1 ZINC000572595090 484456358 /nfs/dbraw/zinc/45/63/58/484456358.db2.gz SJLBYKHQJZHLCX-GWCFXTLKSA-N -1 0 367.387 -0.180 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)[C@H]1CCCOC1 ZINC000572595091 484456532 /nfs/dbraw/zinc/45/65/32/484456532.db2.gz SJLBYKHQJZHLCX-GXFFZTMASA-N -1 0 367.387 -0.180 20 0 FBADRM O=C([O-])[C@@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)[C@@H]1CCCOC1 ZINC000572595092 484457304 /nfs/dbraw/zinc/45/73/04/484457304.db2.gz SJLBYKHQJZHLCX-MFKMUULPSA-N -1 0 367.387 -0.180 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)[C@@H]1CCCOC1 ZINC000572595093 484457169 /nfs/dbraw/zinc/45/71/69/484457169.db2.gz SJLBYKHQJZHLCX-ZWNOBZJWSA-N -1 0 367.387 -0.180 20 0 FBADRM Cc1oc(S(=O)(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000572599265 483787954 /nfs/dbraw/zinc/78/79/54/483787954.db2.gz WXOKHGZGGKOLCQ-SECBINFHSA-N -1 0 366.417 -0.011 20 0 FBADRM Cc1oc(S(=O)(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000572599266 483787411 /nfs/dbraw/zinc/78/74/11/483787411.db2.gz WXOKHGZGGKOLCQ-VIFPVBQESA-N -1 0 366.417 -0.011 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC000572602072 484088377 /nfs/dbraw/zinc/08/83/77/484088377.db2.gz HXAUITRPRIQYOT-AWEZNQCLSA-N -1 0 358.372 -0.881 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC000572602073 484087664 /nfs/dbraw/zinc/08/76/64/484087664.db2.gz HXAUITRPRIQYOT-CQSZACIVSA-N -1 0 358.372 -0.881 20 0 FBADRM CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)C(=O)NCCCC(=O)[O-])cn1 ZINC000572602246 485324693 /nfs/dbraw/zinc/32/46/93/485324693.db2.gz LTLGDBFPZGDNRD-UOXLDJKESA-N -1 0 370.431 -0.484 20 0 FBADRM CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)C(=O)NCCCC(=O)[O-])cn1 ZINC000572602250 485324834 /nfs/dbraw/zinc/32/48/34/485324834.db2.gz LTLGDBFPZGDNRD-VDBVYFBLSA-N -1 0 370.431 -0.484 20 0 FBADRM CCn1cc([C@H]2C[S@](=O)CCN2C(=O)C(=O)NCCCC(=O)[O-])cn1 ZINC000572602252 485324452 /nfs/dbraw/zinc/32/44/52/485324452.db2.gz LTLGDBFPZGDNRD-XELLLNAOSA-N -1 0 370.431 -0.484 20 0 FBADRM CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)C(=O)NCCCC(=O)[O-])cn1 ZINC000572602253 485324356 /nfs/dbraw/zinc/32/43/56/485324356.db2.gz LTLGDBFPZGDNRD-YDBLSZJJSA-N -1 0 370.431 -0.484 20 0 FBADRM O=S(=O)([N-]c1nnc[nH]1)c1cccc(S(=O)(=O)N2CC[C@@H](O)C2)c1 ZINC000572616898 483798358 /nfs/dbraw/zinc/79/83/58/483798358.db2.gz JFQMJAFOCVPCGL-SECBINFHSA-N -1 0 373.416 -0.639 20 0 FBADRM O=C([O-])CN(C1CCOCC1)S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000572638264 484165798 /nfs/dbraw/zinc/16/57/98/484165798.db2.gz XUKIXMYFPGEYDD-UHFFFAOYSA-N -1 0 367.387 -0.083 20 0 FBADRM CC(C)C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000572642912 484181090 /nfs/dbraw/zinc/18/10/90/484181090.db2.gz DGXQMAOFKXSOKS-CHWSQXEVSA-N -1 0 353.419 -0.118 20 0 FBADRM CC(C)C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000572642913 484181251 /nfs/dbraw/zinc/18/12/51/484181251.db2.gz DGXQMAOFKXSOKS-OLZOCXBDSA-N -1 0 353.419 -0.118 20 0 FBADRM CC(C)C(=O)N1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000572642914 484181104 /nfs/dbraw/zinc/18/11/04/484181104.db2.gz DGXQMAOFKXSOKS-QWHCGFSZSA-N -1 0 353.419 -0.118 20 0 FBADRM CC(C)C(=O)N1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000572642915 484181404 /nfs/dbraw/zinc/18/14/04/484181404.db2.gz DGXQMAOFKXSOKS-STQMWFEESA-N -1 0 353.419 -0.118 20 0 FBADRM C[C@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000572643387 484184872 /nfs/dbraw/zinc/18/48/72/484184872.db2.gz UDUGCRYUGYGUGO-VIFPVBQESA-N -1 0 358.372 -0.285 20 0 FBADRM COCCNC(=O)CNS(=O)(=O)c1cc(CC(=O)[O-])ccc1OC ZINC000572650106 485325743 /nfs/dbraw/zinc/32/57/43/485325743.db2.gz POFOXQOKRXDRBP-UHFFFAOYSA-N -1 0 360.388 -0.637 20 0 FBADRM CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c1 ZINC000572662490 483439218 /nfs/dbraw/zinc/43/92/18/483439218.db2.gz OCCUGXDBQIPNEJ-SECBINFHSA-N -1 0 350.780 -0.268 20 0 FBADRM CO[C@@H]1COC[C@H]1NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000572716895 485326138 /nfs/dbraw/zinc/32/61/38/485326138.db2.gz DYTULOMSCWMLEY-CHWSQXEVSA-N -1 0 364.445 -0.702 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1OC ZINC000572720663 485326912 /nfs/dbraw/zinc/32/69/12/485326912.db2.gz GDMSFEPXWFQMOE-GFCCVEGCSA-N -1 0 359.356 -0.044 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)cc1OC ZINC000572720664 485326728 /nfs/dbraw/zinc/32/67/28/485326728.db2.gz GDMSFEPXWFQMOE-LBPRGKRZSA-N -1 0 359.356 -0.044 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COCCO2)C[C@H]1c1ccccc1 ZINC000572721882 485326126 /nfs/dbraw/zinc/32/61/26/485326126.db2.gz IQYHDKWPTIYERP-QLFBSQMISA-N -1 0 362.382 -0.155 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@H]2COCCO2)C[C@H]1c1ccccc1 ZINC000572721883 485326483 /nfs/dbraw/zinc/32/64/83/485326483.db2.gz IQYHDKWPTIYERP-SOUVJXGZSA-N -1 0 362.382 -0.155 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000572721898 484087900 /nfs/dbraw/zinc/08/79/00/484087900.db2.gz JDDREDRCOQKXMO-UHFFFAOYSA-N -1 0 350.375 -0.485 20 0 FBADRM O=C([O-])CC1(NS(=O)(=O)c2cccc(-n3cnnn3)c2)CCOCC1 ZINC000572757848 484184635 /nfs/dbraw/zinc/18/46/35/484184635.db2.gz XBJKUBATEITDMO-UHFFFAOYSA-N -1 0 367.387 -0.036 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)C[C@@H]1C(=O)[O-] ZINC000572762267 485328510 /nfs/dbraw/zinc/32/85/10/485328510.db2.gz YMALJMMXLKMBAZ-KGYLQXTDSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)C[C@H]1C(=O)[O-] ZINC000572762268 485328605 /nfs/dbraw/zinc/32/86/05/485328605.db2.gz YMALJMMXLKMBAZ-RAIGVLPGSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C(=O)NC2CC2)C[C@H]1C(=O)[O-] ZINC000572762269 485328687 /nfs/dbraw/zinc/32/86/87/485328687.db2.gz YMALJMMXLKMBAZ-RTXFEEFZSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C(=O)NC2CC2)C[C@@H]1C(=O)[O-] ZINC000572762270 485328665 /nfs/dbraw/zinc/32/86/65/485328665.db2.gz YMALJMMXLKMBAZ-WXHSDQCUSA-N -1 0 351.403 -0.175 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000572774115 485328611 /nfs/dbraw/zinc/32/86/11/485328611.db2.gz UFBNUEJLDRYIIU-GFCCVEGCSA-N -1 0 369.399 -0.598 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000572774116 485328321 /nfs/dbraw/zinc/32/83/21/485328321.db2.gz UFBNUEJLDRYIIU-LBPRGKRZSA-N -1 0 369.399 -0.598 20 0 FBADRM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c1 ZINC000572781652 484239189 /nfs/dbraw/zinc/23/91/89/484239189.db2.gz XVZWLQSXSPTICK-SECBINFHSA-N -1 0 365.335 -0.265 20 0 FBADRM COCCN(CCC(=O)[O-])S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000572787175 485329361 /nfs/dbraw/zinc/32/93/61/485329361.db2.gz CPPGWCZNSIEMIY-UHFFFAOYSA-N -1 0 369.403 -0.011 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)cn1C ZINC000572820784 485328943 /nfs/dbraw/zinc/32/89/43/485328943.db2.gz SDTRDTGSSPPKLE-ABAIWWIYSA-N -1 0 371.415 -0.504 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)cn1C ZINC000572820785 485329036 /nfs/dbraw/zinc/32/90/36/485329036.db2.gz SDTRDTGSSPPKLE-IAQYHMDHSA-N -1 0 371.415 -0.504 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@]3(CCOC3)C2)cn1C ZINC000572820786 485329191 /nfs/dbraw/zinc/32/91/91/485329191.db2.gz SDTRDTGSSPPKLE-NHYWBVRUSA-N -1 0 371.415 -0.504 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@]3(CCOC3)C2)cn1C ZINC000572820787 485329336 /nfs/dbraw/zinc/32/93/36/485329336.db2.gz SDTRDTGSSPPKLE-XHDPSFHLSA-N -1 0 371.415 -0.504 20 0 FBADRM CCCS(=O)(=O)NC1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000572838619 485330228 /nfs/dbraw/zinc/33/02/28/485330228.db2.gz DRVMDCFGARPTSS-UHFFFAOYSA-N -1 0 356.466 -0.025 20 0 FBADRM CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000572838904 484207626 /nfs/dbraw/zinc/20/76/26/484207626.db2.gz UGDRTMQLHFTMOU-MRVPVSSYSA-N -1 0 352.390 -0.462 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000572838905 484208127 /nfs/dbraw/zinc/20/81/27/484208127.db2.gz UGDRTMQLHFTMOU-QMMMGPOBSA-N -1 0 352.390 -0.462 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCn3cnnc3C2)C[C@H]1c1ccccc1 ZINC000572842256 485330002 /nfs/dbraw/zinc/33/00/02/485330002.db2.gz YZUBVDMBUJZVOH-UONOGXRCSA-N -1 0 369.381 -0.053 20 0 FBADRM CC[C@@](C)(NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000572875076 485330754 /nfs/dbraw/zinc/33/07/54/485330754.db2.gz ZJBOCZBONJORFZ-GFCCVEGCSA-N -1 0 356.466 -0.169 20 0 FBADRM CC[C@](C)(NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000572875077 485330697 /nfs/dbraw/zinc/33/06/97/485330697.db2.gz ZJBOCZBONJORFZ-LBPRGKRZSA-N -1 0 356.466 -0.169 20 0 FBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000572878713 485330706 /nfs/dbraw/zinc/33/07/06/485330706.db2.gz ZOBZFGGNNYVRRA-NEPJUHHUSA-N -1 0 351.403 -0.364 20 0 FBADRM COc1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)cc1C(=O)N(C)C ZINC000572924279 485332550 /nfs/dbraw/zinc/33/25/50/485332550.db2.gz HPTQCVXAISLMAE-UHFFFAOYSA-N -1 0 370.387 -0.406 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)cnc21 ZINC000572935664 485332938 /nfs/dbraw/zinc/33/29/38/485332938.db2.gz WSBIDRPDOJIBOD-MRVPVSSYSA-N -1 0 368.371 -0.481 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@@H](CC(=O)[O-])C3)cnc21 ZINC000572935665 485332514 /nfs/dbraw/zinc/33/25/14/485332514.db2.gz WSBIDRPDOJIBOD-QMMMGPOBSA-N -1 0 368.371 -0.481 20 0 FBADRM Cc1nnc2n1C[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)CC2 ZINC000572961559 485333693 /nfs/dbraw/zinc/33/36/93/485333693.db2.gz JYUUCXONZXWGLX-DRZSPHRISA-N -1 0 363.418 -0.166 20 0 FBADRM Cc1nnc2n1C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)CC2 ZINC000572961560 485333434 /nfs/dbraw/zinc/33/34/34/485333434.db2.gz JYUUCXONZXWGLX-KGYLQXTDSA-N -1 0 363.418 -0.166 20 0 FBADRM Cc1nnc2n1C[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)CC2 ZINC000572961561 485333453 /nfs/dbraw/zinc/33/34/53/485333453.db2.gz JYUUCXONZXWGLX-WCFLWFBJSA-N -1 0 363.418 -0.166 20 0 FBADRM Cc1nnc2n1C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)CC2 ZINC000572961562 485333912 /nfs/dbraw/zinc/33/39/12/485333912.db2.gz JYUUCXONZXWGLX-WXHSDQCUSA-N -1 0 363.418 -0.166 20 0 FBADRM C[C@H](CN(C)C(=O)CNS(=O)(=O)c1cccc(F)c1)c1nnn[n-]1 ZINC000572963700 485333902 /nfs/dbraw/zinc/33/39/02/485333902.db2.gz MWMZNOCJHVEIQM-SECBINFHSA-N -1 0 356.383 -0.121 20 0 FBADRM C[C@@H](CN(C)C(=O)CNS(=O)(=O)c1cccc(F)c1)c1nnn[n-]1 ZINC000572963701 485333847 /nfs/dbraw/zinc/33/38/47/485333847.db2.gz MWMZNOCJHVEIQM-VIFPVBQESA-N -1 0 356.383 -0.121 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC000572965245 485333953 /nfs/dbraw/zinc/33/39/53/485333953.db2.gz JXMORXLSGHKAIK-DDHJBXDOSA-N -1 0 369.461 -0.297 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)[C@H](C(=O)[O-])[C@@H](C)O1 ZINC000572965246 485333821 /nfs/dbraw/zinc/33/38/21/485333821.db2.gz JXMORXLSGHKAIK-KKOKHZNYSA-N -1 0 369.461 -0.297 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)[C@H](C(=O)[O-])[C@H](C)O1 ZINC000572965247 485333955 /nfs/dbraw/zinc/33/39/55/485333955.db2.gz JXMORXLSGHKAIK-KXNHARMFSA-N -1 0 369.461 -0.297 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC000572965248 485333579 /nfs/dbraw/zinc/33/35/79/485333579.db2.gz JXMORXLSGHKAIK-WRWGMCAJSA-N -1 0 369.461 -0.297 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC(O)(C(C)(C)C(=O)[O-])CC1 ZINC000572965464 484100233 /nfs/dbraw/zinc/10/02/33/484100233.db2.gz PRMKDJQGAGXDOT-JTQLQIEISA-N -1 0 350.437 -0.269 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC(O)(C(C)(C)C(=O)[O-])CC1 ZINC000572965465 484100745 /nfs/dbraw/zinc/10/07/45/484100745.db2.gz PRMKDJQGAGXDOT-SNVBAGLBSA-N -1 0 350.437 -0.269 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CCO1 ZINC000572991103 485334543 /nfs/dbraw/zinc/33/45/43/485334543.db2.gz UTWWGAPBOABWPZ-GFCCVEGCSA-N -1 0 357.388 -0.275 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CCO1 ZINC000572991104 485334721 /nfs/dbraw/zinc/33/47/21/485334721.db2.gz UTWWGAPBOABWPZ-LBPRGKRZSA-N -1 0 357.388 -0.275 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)cc1 ZINC000572998591 484159550 /nfs/dbraw/zinc/15/95/50/484159550.db2.gz GDMASVYBVRHRBE-LLVKDONJSA-N -1 0 366.442 -0.427 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCSC2)cc1 ZINC000572998592 484159410 /nfs/dbraw/zinc/15/94/10/484159410.db2.gz GDMASVYBVRHRBE-NSHDSACASA-N -1 0 366.442 -0.427 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H](F)C2)CCS1(=O)=O ZINC000573001055 485334920 /nfs/dbraw/zinc/33/49/20/485334920.db2.gz ARQWWSHOKHUXSV-AEJSXWLSSA-N -1 0 350.368 -0.907 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H](F)C2)CCS1(=O)=O ZINC000573001056 485334823 /nfs/dbraw/zinc/33/48/23/485334823.db2.gz ARQWWSHOKHUXSV-BBBLOLIVSA-N -1 0 350.368 -0.907 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H](F)C2)CCS1(=O)=O ZINC000573001057 485334901 /nfs/dbraw/zinc/33/49/01/485334901.db2.gz ARQWWSHOKHUXSV-IVZWLZJFSA-N -1 0 350.368 -0.907 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H](F)C2)CCS1(=O)=O ZINC000573001058 485334812 /nfs/dbraw/zinc/33/48/12/485334812.db2.gz ARQWWSHOKHUXSV-OPRDCNLKSA-N -1 0 350.368 -0.907 20 0 FBADRM Cc1ccc(-n2[n-]c(C(=O)NCCOCCS(N)(=O)=O)cc2=O)cc1 ZINC000573018348 485335729 /nfs/dbraw/zinc/33/57/29/485335729.db2.gz KYZBFMCMHANNGQ-UHFFFAOYSA-N -1 0 368.415 -0.491 20 0 FBADRM C[C@@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccn(C)n2)cc1 ZINC000573020867 485335675 /nfs/dbraw/zinc/33/56/75/485335675.db2.gz XPGLYYPBNJMWFQ-SNVBAGLBSA-N -1 0 374.444 -0.120 20 0 FBADRM CN(CC(=O)NC1(c2nnn[n-]2)CCCC1)S(=O)(=O)c1cccnc1 ZINC000573042807 485336031 /nfs/dbraw/zinc/33/60/31/485336031.db2.gz IYUXOSPAJBQGAP-UHFFFAOYSA-N -1 0 365.419 -0.199 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-])s1 ZINC000573095866 483906112 /nfs/dbraw/zinc/90/61/12/483906112.db2.gz KSJPBHGIFXGELD-SSDOTTSWSA-N -1 0 351.406 -0.052 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-])s1 ZINC000573095867 483905886 /nfs/dbraw/zinc/90/58/86/483905886.db2.gz KSJPBHGIFXGELD-ZETCQYMHSA-N -1 0 351.406 -0.052 20 0 FBADRM CC(C)(C)OCC[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000573114481 483907022 /nfs/dbraw/zinc/90/70/22/483907022.db2.gz FCWRACFTDZQVHG-JTQLQIEISA-N -1 0 359.466 -0.001 20 0 FBADRM CC(C)(C)OCC[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000573114482 483907564 /nfs/dbraw/zinc/90/75/64/483907564.db2.gz FCWRACFTDZQVHG-SNVBAGLBSA-N -1 0 359.466 -0.001 20 0 FBADRM COC(=O)CC1(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000573125710 483907525 /nfs/dbraw/zinc/90/75/25/483907525.db2.gz RTNYCXFWZBRAHG-UHFFFAOYSA-N -1 0 354.344 -0.190 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000573126855 483907587 /nfs/dbraw/zinc/90/75/87/483907587.db2.gz KUYGUYBKMOCWIH-LLVKDONJSA-N -1 0 355.372 -0.527 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000573126856 483907710 /nfs/dbraw/zinc/90/77/10/483907710.db2.gz KUYGUYBKMOCWIH-NSHDSACASA-N -1 0 355.372 -0.527 20 0 FBADRM O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000573135897 483906893 /nfs/dbraw/zinc/90/68/93/483906893.db2.gz JXGJPCKENLEVHU-ZYHUDNBSSA-N -1 0 355.347 -0.395 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)[O-] ZINC000573205593 483910966 /nfs/dbraw/zinc/91/09/66/483910966.db2.gz BDHUWXXGKSZJPZ-GHMZBOCLSA-N -1 0 364.420 -0.177 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)[O-] ZINC000573205594 483911128 /nfs/dbraw/zinc/91/11/28/483911128.db2.gz BDHUWXXGKSZJPZ-MNOVXSKESA-N -1 0 364.420 -0.177 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)[O-] ZINC000573205595 483910450 /nfs/dbraw/zinc/91/04/50/483910450.db2.gz BDHUWXXGKSZJPZ-QWRGUYRKSA-N -1 0 364.420 -0.177 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)[O-] ZINC000573205596 483911160 /nfs/dbraw/zinc/91/11/60/483911160.db2.gz BDHUWXXGKSZJPZ-WDEREUQCSA-N -1 0 364.420 -0.177 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCCC(=O)[O-])ccc1C ZINC000573206639 483910986 /nfs/dbraw/zinc/91/09/86/483910986.db2.gz HZDHBDGLEHGQRM-UHFFFAOYSA-N -1 0 357.388 -0.177 20 0 FBADRM CO[C@@H]1COC[C@H]1NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000573209984 483910689 /nfs/dbraw/zinc/91/06/89/483910689.db2.gz XFDHSMMDEKYSRE-GHMZBOCLSA-N -1 0 350.343 -0.227 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC000573211573 483911115 /nfs/dbraw/zinc/91/11/15/483911115.db2.gz VSPXCLUNKPIGCK-JTQLQIEISA-N -1 0 366.392 -0.164 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC000573211574 483910969 /nfs/dbraw/zinc/91/09/69/483910969.db2.gz VSPXCLUNKPIGCK-SNVBAGLBSA-N -1 0 366.392 -0.164 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NCC(N)=O)cc1 ZINC000573239636 483911734 /nfs/dbraw/zinc/91/17/34/483911734.db2.gz VZGOHZMOZAEBFI-UHFFFAOYSA-N -1 0 351.388 -0.256 20 0 FBADRM CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000573243926 483911966 /nfs/dbraw/zinc/91/19/66/483911966.db2.gz ILDPJDBXAQWBRR-MRVPVSSYSA-N -1 0 351.406 -0.304 20 0 FBADRM CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000573243927 483911977 /nfs/dbraw/zinc/91/19/77/483911977.db2.gz ILDPJDBXAQWBRR-QMMMGPOBSA-N -1 0 351.406 -0.304 20 0 FBADRM CCS(=O)(=O)N1CCN(S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC000573244307 483911696 /nfs/dbraw/zinc/91/16/96/483911696.db2.gz ZWXOTPPLBDHONK-UHFFFAOYSA-N -1 0 369.446 -0.503 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000573248653 483911834 /nfs/dbraw/zinc/91/18/34/483911834.db2.gz CEEFRXKLGUUPBR-VIFPVBQESA-N -1 0 358.372 -0.269 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000573259324 483913397 /nfs/dbraw/zinc/91/33/97/483913397.db2.gz RGCIFWFFOSQGPW-GFCCVEGCSA-N -1 0 369.399 -0.849 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000573259325 483913315 /nfs/dbraw/zinc/91/33/15/483913315.db2.gz RGCIFWFFOSQGPW-LBPRGKRZSA-N -1 0 369.399 -0.849 20 0 FBADRM Cn1c(C(=O)NCCCCCC(=O)[O-])cc2c1n(C)c(=O)n(C)c2=O ZINC000573276795 483914281 /nfs/dbraw/zinc/91/42/81/483914281.db2.gz DZKDRRZTWCCYST-UHFFFAOYSA-N -1 0 350.375 -0.050 20 0 FBADRM Cc1ccc(C)c(S(=O)(=O)NCC(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000573294760 483913899 /nfs/dbraw/zinc/91/38/99/483913899.db2.gz PHSYFHRRLHTAKN-UHFFFAOYSA-N -1 0 354.388 -0.383 20 0 FBADRM CCOC[C@H](NS(=O)(=O)c1cccc(-c2nnnn2C)c1)C(=O)[O-] ZINC000573295293 483913862 /nfs/dbraw/zinc/91/38/62/483913862.db2.gz MJCGAYQYGNTDQI-NSHDSACASA-N -1 0 355.376 -0.355 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)Nc3nc(C)n(C)n3)cc2)[n-]1 ZINC000573311390 484260135 /nfs/dbraw/zinc/26/01/35/484260135.db2.gz BVHMZQVLXDFXQW-UHFFFAOYSA-N -1 0 370.369 0.570 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@](C)(COC)C(=O)[O-] ZINC000573321184 483915584 /nfs/dbraw/zinc/91/55/84/483915584.db2.gz CEPPKQHNWWUZGM-GFCCVEGCSA-N -1 0 366.417 -0.637 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@](C)(COC)C(=O)[O-] ZINC000573321185 483915378 /nfs/dbraw/zinc/91/53/78/483915378.db2.gz CEPPKQHNWWUZGM-LBPRGKRZSA-N -1 0 366.417 -0.637 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCC(=O)[O-])cc1 ZINC000573323521 483915415 /nfs/dbraw/zinc/91/54/15/483915415.db2.gz LRSBHVYJKMDLDD-UHFFFAOYSA-N -1 0 358.372 -0.268 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](CNC(N)=O)C2)C[C@H]1C(=O)[O-] ZINC000573323562 483915369 /nfs/dbraw/zinc/91/53/69/483915369.db2.gz NPPDETUFTRIIOM-GRYCIOLGSA-N -1 0 354.407 -0.538 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](CNC(N)=O)C2)C[C@H]1C(=O)[O-] ZINC000573323563 483915588 /nfs/dbraw/zinc/91/55/88/483915588.db2.gz NPPDETUFTRIIOM-IJLUTSLNSA-N -1 0 354.407 -0.538 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](CNC(N)=O)C2)C[C@@H]1C(=O)[O-] ZINC000573323564 483915052 /nfs/dbraw/zinc/91/50/52/483915052.db2.gz NPPDETUFTRIIOM-UTUOFQBUSA-N -1 0 354.407 -0.538 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](CNC(N)=O)C2)C[C@@H]1C(=O)[O-] ZINC000573323565 483915358 /nfs/dbraw/zinc/91/53/58/483915358.db2.gz NPPDETUFTRIIOM-WOPDTQHZSA-N -1 0 354.407 -0.538 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000573324172 483915457 /nfs/dbraw/zinc/91/54/57/483915457.db2.gz IZCLALNHMHMFNZ-NWDGAFQWSA-N -1 0 368.477 -0.169 20 0 FBADRM COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCOCC2)cc1C(=O)[O-] ZINC000573328982 483915095 /nfs/dbraw/zinc/91/50/95/483915095.db2.gz AVUXBRXSAUWLPQ-UHFFFAOYSA-N -1 0 372.399 -0.127 20 0 FBADRM O=S(=O)([N-]c1cn[nH]c1)c1cccc(S(=O)(=O)N2CC[C@@H](O)C2)c1 ZINC000573339178 483915709 /nfs/dbraw/zinc/91/57/09/483915709.db2.gz HQEUWGNUZLNPIR-LLVKDONJSA-N -1 0 372.428 -0.034 20 0 FBADRM COCCn1ccc(C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000573340364 483916156 /nfs/dbraw/zinc/91/61/56/483916156.db2.gz UPMMLKCQUZSMEQ-GFCCVEGCSA-N -1 0 352.391 -0.075 20 0 FBADRM COCCn1ccc(C(=O)N(C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000573340365 483916289 /nfs/dbraw/zinc/91/62/89/483916289.db2.gz UPMMLKCQUZSMEQ-LBPRGKRZSA-N -1 0 352.391 -0.075 20 0 FBADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000573362954 483916577 /nfs/dbraw/zinc/91/65/77/483916577.db2.gz MVNNWWRTBQQQEB-UHFFFAOYSA-N -1 0 370.391 -0.829 20 0 FBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC000573370360 483917845 /nfs/dbraw/zinc/91/78/45/483917845.db2.gz BFDWXSHTZWSAHL-UHFFFAOYSA-N -1 0 363.436 -0.760 20 0 FBADRM C[C@H]1CCN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)C[C@H]1C(=O)[O-] ZINC000573370411 483918200 /nfs/dbraw/zinc/91/82/00/483918200.db2.gz DHZMRYRGACBXNJ-CMPLNLGQSA-N -1 0 362.386 -0.392 20 0 FBADRM C[C@H]1CCN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)C[C@@H]1C(=O)[O-] ZINC000573370412 483917883 /nfs/dbraw/zinc/91/78/83/483917883.db2.gz DHZMRYRGACBXNJ-JQWIXIFHSA-N -1 0 362.386 -0.392 20 0 FBADRM C[C@@H]1CCN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)C[C@@H]1C(=O)[O-] ZINC000573370413 483918015 /nfs/dbraw/zinc/91/80/15/483918015.db2.gz DHZMRYRGACBXNJ-PWSUYJOCSA-N -1 0 362.386 -0.392 20 0 FBADRM C[C@@H]1CCN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)C[C@H]1C(=O)[O-] ZINC000573370414 483918083 /nfs/dbraw/zinc/91/80/83/483918083.db2.gz DHZMRYRGACBXNJ-ZYHUDNBSSA-N -1 0 362.386 -0.392 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CC(C)(C(N)=O)C3)cc2)[n-]1 ZINC000573373686 483917854 /nfs/dbraw/zinc/91/78/54/483917854.db2.gz HRELNEWYZQEOLS-UHFFFAOYSA-N -1 0 372.381 -0.172 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)N[C@H](CCC(=O)OC)C(=O)[O-])cc1 ZINC000573376106 483917610 /nfs/dbraw/zinc/91/76/10/483917610.db2.gz HUWOOLPBQNYOKC-GFCCVEGCSA-N -1 0 372.399 -0.128 20 0 FBADRM O=S(=O)([N-]c1nnc[nH]1)c1cccc(S(=O)(=O)N2CC[C@H](O)C2)c1 ZINC000573386645 483917714 /nfs/dbraw/zinc/91/77/14/483917714.db2.gz JFQMJAFOCVPCGL-VIFPVBQESA-N -1 0 373.416 -0.639 20 0 FBADRM COC[C@H](O)CCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000573413395 483921224 /nfs/dbraw/zinc/92/12/24/483921224.db2.gz WOKCMPHPMNOEPV-SECBINFHSA-N -1 0 352.359 -0.243 20 0 FBADRM COC[C@@H](O)CCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000573413396 483920928 /nfs/dbraw/zinc/92/09/28/483920928.db2.gz WOKCMPHPMNOEPV-VIFPVBQESA-N -1 0 352.359 -0.243 20 0 FBADRM COCCOc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1C ZINC000573435197 483920833 /nfs/dbraw/zinc/92/08/33/483920833.db2.gz DZYNIRAEBOZKKP-UHFFFAOYSA-N -1 0 374.415 -0.111 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@](COC)(C(=O)[O-])C1 ZINC000573437709 483920792 /nfs/dbraw/zinc/92/07/92/483920792.db2.gz GNNVJKMAKIUAET-GFCCVEGCSA-N -1 0 372.465 -0.931 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@](COC)(C(=O)[O-])C1 ZINC000573437710 483921210 /nfs/dbraw/zinc/92/12/10/483921210.db2.gz GNNVJKMAKIUAET-LBPRGKRZSA-N -1 0 372.465 -0.931 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000573445044 483921325 /nfs/dbraw/zinc/92/13/25/483921325.db2.gz NFVKPUHUFALJIU-UHFFFAOYSA-N -1 0 368.365 -0.346 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)N(CC(=O)[O-])C1CCOCC1)n1cccn1 ZINC000573445475 483921196 /nfs/dbraw/zinc/92/11/96/483921196.db2.gz MTXMDFCQQKFFOU-GFCCVEGCSA-N -1 0 352.391 -0.005 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)N(CC(=O)[O-])C1CCOCC1)n1cccn1 ZINC000573445476 483920443 /nfs/dbraw/zinc/92/04/43/483920443.db2.gz MTXMDFCQQKFFOU-LBPRGKRZSA-N -1 0 352.391 -0.005 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CCN1S(C)(=O)=O ZINC000573445671 483920822 /nfs/dbraw/zinc/92/08/22/483920822.db2.gz PYUKVPNGWVIDFF-JTQLQIEISA-N -1 0 369.399 -0.184 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000573445738 483920853 /nfs/dbraw/zinc/92/08/53/483920853.db2.gz SWVGPIHLBDBKDP-CHWSQXEVSA-N -1 0 362.448 -0.004 20 0 FBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000573445739 483921459 /nfs/dbraw/zinc/92/14/59/483921459.db2.gz SWVGPIHLBDBKDP-OLZOCXBDSA-N -1 0 362.448 -0.004 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000573445740 483920907 /nfs/dbraw/zinc/92/09/07/483920907.db2.gz SWVGPIHLBDBKDP-QWHCGFSZSA-N -1 0 362.448 -0.004 20 0 FBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000573445741 483922398 /nfs/dbraw/zinc/92/23/98/483922398.db2.gz SWVGPIHLBDBKDP-STQMWFEESA-N -1 0 362.448 -0.004 20 0 FBADRM COc1cc2nc(NCCn3cc(C(=O)[O-])nn3)nc(N)c2cc1OC ZINC000573448050 484527960 /nfs/dbraw/zinc/52/79/60/484527960.db2.gz GXJIRPOATKNARX-UHFFFAOYSA-N -1 0 359.346 0.053 20 0 FBADRM Cn1c(N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000573448787 483922854 /nfs/dbraw/zinc/92/28/54/483922854.db2.gz KACUCBTXWMYKKZ-MRVPVSSYSA-N -1 0 374.361 -0.496 20 0 FBADRM Cn1c(N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000573448793 483922900 /nfs/dbraw/zinc/92/29/00/483922900.db2.gz KACUCBTXWMYKKZ-QMMMGPOBSA-N -1 0 374.361 -0.496 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000573452652 483922526 /nfs/dbraw/zinc/92/25/26/483922526.db2.gz VQDRSVWFWPQVMM-SECBINFHSA-N -1 0 355.372 -0.527 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000573452653 483922490 /nfs/dbraw/zinc/92/24/90/483922490.db2.gz VQDRSVWFWPQVMM-VIFPVBQESA-N -1 0 355.372 -0.527 20 0 FBADRM COc1cc(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)ccc1O ZINC000573476615 483924426 /nfs/dbraw/zinc/92/44/26/483924426.db2.gz XGSPYKXLZUCNSZ-GFCCVEGCSA-N -1 0 358.372 -0.206 20 0 FBADRM COc1cc(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)ccc1O ZINC000573476616 483924626 /nfs/dbraw/zinc/92/46/26/483924626.db2.gz XGSPYKXLZUCNSZ-LBPRGKRZSA-N -1 0 358.372 -0.206 20 0 FBADRM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)c1 ZINC000573497870 483924800 /nfs/dbraw/zinc/92/48/00/483924800.db2.gz IJAUFCFVUFKSCI-UHFFFAOYSA-N -1 0 352.372 -0.115 20 0 FBADRM CC1(C)CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@H](CO)O1 ZINC000573505623 483924766 /nfs/dbraw/zinc/92/47/66/483924766.db2.gz BGRLPVVMYBSHQP-MRVPVSSYSA-N -1 0 370.387 -0.404 20 0 FBADRM CC1(C)CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@@H](CO)O1 ZINC000573505624 483924209 /nfs/dbraw/zinc/92/42/09/483924209.db2.gz BGRLPVVMYBSHQP-QMMMGPOBSA-N -1 0 370.387 -0.404 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)Nc1cccc(C(=O)NC(N)=O)c1 ZINC000573546240 483928341 /nfs/dbraw/zinc/92/83/41/483928341.db2.gz VWVCKZBNEYPRSI-UHFFFAOYSA-N -1 0 372.403 -0.611 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)CCc1ccccc1 ZINC000573556368 483927134 /nfs/dbraw/zinc/92/71/34/483927134.db2.gz PHMLNJGTYXXEHR-LLVKDONJSA-N -1 0 352.372 -0.175 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)CCc1ccccc1 ZINC000573556369 483928480 /nfs/dbraw/zinc/92/84/80/483928480.db2.gz PHMLNJGTYXXEHR-NSHDSACASA-N -1 0 352.372 -0.175 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1OC ZINC000573558077 483927724 /nfs/dbraw/zinc/92/77/24/483927724.db2.gz UFAUSGWOBKAFHR-UHFFFAOYSA-N -1 0 352.390 -0.353 20 0 FBADRM O=S(=O)([N-]c1nnc[nH]1)c1ccc(S(=O)(=O)N[C@@H]2CC[C@H]2O)cc1 ZINC000573578615 483929989 /nfs/dbraw/zinc/92/99/89/483929989.db2.gz SQKMXHCYOGXHSA-GHMZBOCLSA-N -1 0 373.416 -0.593 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCCC2CCS(=O)(=O)CC2)C[C@@H]1C(=O)[O-] ZINC000573608690 483931805 /nfs/dbraw/zinc/93/18/05/483931805.db2.gz BIDTVXBQTLKIIH-AAEUAGOBSA-N -1 0 374.459 -0.113 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCCC2CCS(=O)(=O)CC2)C[C@H]1C(=O)[O-] ZINC000573608691 483930638 /nfs/dbraw/zinc/93/06/38/483930638.db2.gz BIDTVXBQTLKIIH-DGCLKSJQSA-N -1 0 374.459 -0.113 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCCC2CCS(=O)(=O)CC2)C[C@H]1C(=O)[O-] ZINC000573608692 483931834 /nfs/dbraw/zinc/93/18/34/483931834.db2.gz BIDTVXBQTLKIIH-WCQYABFASA-N -1 0 374.459 -0.113 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCCC2CCS(=O)(=O)CC2)C[C@@H]1C(=O)[O-] ZINC000573608693 483931219 /nfs/dbraw/zinc/93/12/19/483931219.db2.gz BIDTVXBQTLKIIH-YPMHNXCESA-N -1 0 374.459 -0.113 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)C[C@H](C)N1CCO ZINC000573609200 483930865 /nfs/dbraw/zinc/93/08/65/483930865.db2.gz XHVMHIYHALGUOZ-FQUUOJAGSA-N -1 0 355.435 -0.531 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)C[C@H](C)N1CCO ZINC000573609201 483932141 /nfs/dbraw/zinc/93/21/41/483932141.db2.gz XHVMHIYHALGUOZ-IGQOVBAYSA-N -1 0 355.435 -0.531 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)C[C@@H]1C(=O)[O-] ZINC000573609202 483930653 /nfs/dbraw/zinc/93/06/53/483930653.db2.gz XHVMHIYHALGUOZ-MQYQWHSLSA-N -1 0 355.435 -0.531 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)C[C@H]1C(=O)[O-] ZINC000573609203 483931948 /nfs/dbraw/zinc/93/19/48/483931948.db2.gz XHVMHIYHALGUOZ-YIYPIFLZSA-N -1 0 355.435 -0.531 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)[O-] ZINC000573614565 483930776 /nfs/dbraw/zinc/93/07/76/483930776.db2.gz LEUTULJILNLCCY-LURJTMIESA-N -1 0 351.362 -0.604 20 0 FBADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCN(S(C)(=O)=O)CC2)C1 ZINC000573664556 483933324 /nfs/dbraw/zinc/93/33/24/483933324.db2.gz IBEXEUCXTDHVSW-NEPJUHHUSA-N -1 0 363.436 -0.459 20 0 FBADRM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)NCC2CCN(S(C)(=O)=O)CC2)C1 ZINC000573664561 483933931 /nfs/dbraw/zinc/93/39/31/483933931.db2.gz IBEXEUCXTDHVSW-NWDGAFQWSA-N -1 0 363.436 -0.459 20 0 FBADRM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCN(S(C)(=O)=O)CC2)C1 ZINC000573664563 483934639 /nfs/dbraw/zinc/93/46/39/483934639.db2.gz IBEXEUCXTDHVSW-RYUDHWBXSA-N -1 0 363.436 -0.459 20 0 FBADRM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)NCC2CCN(S(C)(=O)=O)CC2)C1 ZINC000573664565 483935500 /nfs/dbraw/zinc/93/55/00/483935500.db2.gz IBEXEUCXTDHVSW-VXGBXAGGSA-N -1 0 363.436 -0.459 20 0 FBADRM CN(C)C(=O)c1ccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cc1 ZINC000573688981 483934728 /nfs/dbraw/zinc/93/47/28/483934728.db2.gz ORLPSEXHMXQTKM-UHFFFAOYSA-N -1 0 367.387 -0.343 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1)C(=O)[O-] ZINC000573689453 483935504 /nfs/dbraw/zinc/93/55/04/483935504.db2.gz RVSWYDQFVAYMEZ-GFCCVEGCSA-N -1 0 370.383 -0.127 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](CC(=O)[O-])c1ccncc1 ZINC000573699805 483936825 /nfs/dbraw/zinc/93/68/25/483936825.db2.gz PHOCTVRGWKABSP-LLVKDONJSA-N -1 0 365.433 -0.544 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccncc1 ZINC000573699808 483936179 /nfs/dbraw/zinc/93/61/79/483936179.db2.gz PHOCTVRGWKABSP-NSHDSACASA-N -1 0 365.433 -0.544 20 0 FBADRM COc1cc([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)nn1C ZINC000573762348 484417220 /nfs/dbraw/zinc/41/72/20/484417220.db2.gz WWDBBEWIDSXJAP-UHFFFAOYSA-N -1 0 374.444 0.480 20 0 FBADRM COC(=O)C1(CS(=O)(=O)NCc2cn(CC(=O)[O-])nn2)CCCC1 ZINC000573770240 483939678 /nfs/dbraw/zinc/93/96/78/483939678.db2.gz ZBUJPPNFUOUCHQ-UHFFFAOYSA-N -1 0 360.392 -0.485 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000573771271 483940552 /nfs/dbraw/zinc/94/05/52/483940552.db2.gz YQTJTJHMFUMTEL-UHFFFAOYSA-N -1 0 358.314 -0.519 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cn1C ZINC000573780783 483940516 /nfs/dbraw/zinc/94/05/16/483940516.db2.gz BUQICTYKPLATCC-UHFFFAOYSA-N -1 0 357.348 -0.920 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000573802680 483941265 /nfs/dbraw/zinc/94/12/65/483941265.db2.gz SRGGYFRVIVVUHR-WDEREUQCSA-N -1 0 369.465 -0.959 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC(C)(C)c2nnn[n-]2)cc1 ZINC000573805277 483941537 /nfs/dbraw/zinc/94/15/37/483941537.db2.gz TZJSXDCUQLUOSI-UHFFFAOYSA-N -1 0 366.403 -0.268 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000573830302 483943833 /nfs/dbraw/zinc/94/38/33/483943833.db2.gz UDORRXWQWPQMBV-GFCCVEGCSA-N -1 0 371.415 -0.068 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000573830304 483943544 /nfs/dbraw/zinc/94/35/44/483943544.db2.gz UDORRXWQWPQMBV-LBPRGKRZSA-N -1 0 371.415 -0.068 20 0 FBADRM CC(C)(C)c1nc(=NC(=O)C(=O)NCCC(=O)N2CCOCC2)s[n-]1 ZINC000573842569 483943215 /nfs/dbraw/zinc/94/32/15/483943215.db2.gz APNQNQKBHKDARE-UHFFFAOYSA-N -1 0 369.447 -0.439 20 0 FBADRM CS(=O)(=O)c1cccc(OCCN2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000573853762 483943657 /nfs/dbraw/zinc/94/36/57/483943657.db2.gz NPVYXAOILWHGMB-UHFFFAOYSA-N -1 0 356.400 -0.302 20 0 FBADRM O=C([O-])CC1(NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000573854917 483943564 /nfs/dbraw/zinc/94/35/64/483943564.db2.gz VNVIUGLQKNFEMF-UHFFFAOYSA-N -1 0 362.429 -0.108 20 0 FBADRM CCO[C@@H]1C[C@@](NC(=O)NCCNS(C)(=O)=O)(C(=O)[O-])C1(C)C ZINC000573900476 483945237 /nfs/dbraw/zinc/94/52/37/483945237.db2.gz WTAILSFMACXQQP-NOZJJQNGSA-N -1 0 351.425 -0.507 20 0 FBADRM CCO[C@@H]1C[C@](NC(=O)NCCNS(C)(=O)=O)(C(=O)[O-])C1(C)C ZINC000573900478 483944877 /nfs/dbraw/zinc/94/48/77/483944877.db2.gz WTAILSFMACXQQP-RNCFNFMXSA-N -1 0 351.425 -0.507 20 0 FBADRM CCO[C@H]1C[C@@](NC(=O)NCCNS(C)(=O)=O)(C(=O)[O-])C1(C)C ZINC000573900479 483945074 /nfs/dbraw/zinc/94/50/74/483945074.db2.gz WTAILSFMACXQQP-TVQRCGJNSA-N -1 0 351.425 -0.507 20 0 FBADRM CCO[C@H]1C[C@](NC(=O)NCCNS(C)(=O)=O)(C(=O)[O-])C1(C)C ZINC000573900500 483944616 /nfs/dbraw/zinc/94/46/16/483944616.db2.gz WTAILSFMACXQQP-ZANVPECISA-N -1 0 351.425 -0.507 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C[C@H]1C(=O)[O-] ZINC000573920429 483947224 /nfs/dbraw/zinc/94/72/24/483947224.db2.gz OETPIGCZEQHNCR-GXSJLCMTSA-N -1 0 369.399 -0.007 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C[C@@H]1C(=O)[O-] ZINC000573920430 483947618 /nfs/dbraw/zinc/94/76/18/483947618.db2.gz OETPIGCZEQHNCR-KOLCDFICSA-N -1 0 369.399 -0.007 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C[C@H]1C(=O)[O-] ZINC000573920432 483946794 /nfs/dbraw/zinc/94/67/94/483946794.db2.gz OETPIGCZEQHNCR-MWLCHTKSSA-N -1 0 369.399 -0.007 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C[C@@H]1C(=O)[O-] ZINC000573920434 483947164 /nfs/dbraw/zinc/94/71/64/483947164.db2.gz OETPIGCZEQHNCR-ONGXEEELSA-N -1 0 369.399 -0.007 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CCS1(=O)=O ZINC000573953148 483948604 /nfs/dbraw/zinc/94/86/04/483948604.db2.gz KAJYLEPDGGQWLA-NEPJUHHUSA-N -1 0 358.416 -0.655 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CCS1(=O)=O ZINC000573953149 483949435 /nfs/dbraw/zinc/94/94/35/483949435.db2.gz KAJYLEPDGGQWLA-NWDGAFQWSA-N -1 0 358.416 -0.655 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CCS1(=O)=O ZINC000573953150 483949321 /nfs/dbraw/zinc/94/93/21/483949321.db2.gz KAJYLEPDGGQWLA-RYUDHWBXSA-N -1 0 358.416 -0.655 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CCS1(=O)=O ZINC000573953151 483949744 /nfs/dbraw/zinc/94/97/44/483949744.db2.gz KAJYLEPDGGQWLA-VXGBXAGGSA-N -1 0 358.416 -0.655 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1cnccc1C(F)(F)F ZINC000574004116 483952042 /nfs/dbraw/zinc/95/20/42/483952042.db2.gz SPGYCBWOUWIBEZ-UHFFFAOYSA-N -1 0 355.294 -0.030 20 0 FBADRM CS(=O)(=O)N1CCC(NC(=O)N[C@]2(C(=O)[O-])CCSC2)CC1 ZINC000574019614 483952435 /nfs/dbraw/zinc/95/24/35/483952435.db2.gz ADQZXKFCXQDRRV-GFCCVEGCSA-N -1 0 351.450 -0.330 20 0 FBADRM CS(=O)(=O)N1CCC(NC(=O)N[C@@]2(C(=O)[O-])CCSC2)CC1 ZINC000574019615 483953427 /nfs/dbraw/zinc/95/34/27/483953427.db2.gz ADQZXKFCXQDRRV-LBPRGKRZSA-N -1 0 351.450 -0.330 20 0 FBADRM CN(C(=O)N[C@H](C(=O)[O-])[C@@H](O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000574025801 483952466 /nfs/dbraw/zinc/95/24/66/483952466.db2.gz RSSZCNGVFRBJHV-IHRRRGAJSA-N -1 0 370.427 -0.128 20 0 FBADRM CN(C(=O)N[C@H](C(=O)[O-])[C@H](O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000574025802 483953489 /nfs/dbraw/zinc/95/34/89/483953489.db2.gz RSSZCNGVFRBJHV-MCIONIFRSA-N -1 0 370.427 -0.128 20 0 FBADRM CN(C(=O)N[C@H](C(=O)[O-])[C@H](O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000574025803 483953222 /nfs/dbraw/zinc/95/32/22/483953222.db2.gz RSSZCNGVFRBJHV-MJBXVCDLSA-N -1 0 370.427 -0.128 20 0 FBADRM CN(C(=O)N[C@H](C(=O)[O-])[C@@H](O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000574025804 483953513 /nfs/dbraw/zinc/95/35/13/483953513.db2.gz RSSZCNGVFRBJHV-RDBSUJKOSA-N -1 0 370.427 -0.128 20 0 FBADRM Cn1cc(N2CCN(C(=O)C(=O)N3CCC[C@H](CC(=O)[O-])C3)CC2)cn1 ZINC000574031264 483953194 /nfs/dbraw/zinc/95/31/94/483953194.db2.gz KCKDPWWQSCWZSZ-CYBMUJFWSA-N -1 0 363.418 -0.218 20 0 FBADRM Cn1cc(N2CCN(C(=O)C(=O)N3CCC[C@@H](CC(=O)[O-])C3)CC2)cn1 ZINC000574031265 483952378 /nfs/dbraw/zinc/95/23/78/483952378.db2.gz KCKDPWWQSCWZSZ-ZDUSSCGKSA-N -1 0 363.418 -0.218 20 0 FBADRM CS(=O)(=O)c1cccc(CS(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000574036149 483953418 /nfs/dbraw/zinc/95/34/18/483953418.db2.gz JQCSWOUWVBXHPT-GFCCVEGCSA-N -1 0 363.413 -0.295 20 0 FBADRM CS(=O)(=O)c1cccc(CS(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000574036150 483951998 /nfs/dbraw/zinc/95/19/98/483951998.db2.gz JQCSWOUWVBXHPT-LBPRGKRZSA-N -1 0 363.413 -0.295 20 0 FBADRM CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000574036444 483953454 /nfs/dbraw/zinc/95/34/54/483953454.db2.gz PWTWLFCKIZDPKW-UHFFFAOYSA-N -1 0 363.417 -0.564 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000574040270 483954869 /nfs/dbraw/zinc/95/48/69/483954869.db2.gz DQHRDAVEFKEXRH-MRVPVSSYSA-N -1 0 353.297 -0.363 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000574040271 483955091 /nfs/dbraw/zinc/95/50/91/483955091.db2.gz DQHRDAVEFKEXRH-QMMMGPOBSA-N -1 0 353.297 -0.363 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cccc(-c2nnnn2C)c1)C(=O)[O-] ZINC000574041627 483954724 /nfs/dbraw/zinc/95/47/24/483954724.db2.gz XVOCEDMNZWFZGY-SNVBAGLBSA-N -1 0 369.359 -0.828 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])s1 ZINC000574044666 483954951 /nfs/dbraw/zinc/95/49/51/483954951.db2.gz KFCBCXBCASTCFW-SECBINFHSA-N -1 0 373.416 -0.191 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])s1 ZINC000574044668 483954851 /nfs/dbraw/zinc/95/48/51/483954851.db2.gz KFCBCXBCASTCFW-VIFPVBQESA-N -1 0 373.416 -0.191 20 0 FBADRM CCN(C(=O)CN1CCC(c2n[nH]c(=O)[n-]2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000574059912 483954586 /nfs/dbraw/zinc/95/45/86/483954586.db2.gz ZWORAXDHPHUHQW-GFCCVEGCSA-N -1 0 371.463 -0.275 20 0 FBADRM CCN(C(=O)CN1CCC(c2n[nH]c(=O)[n-]2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000574059913 483954249 /nfs/dbraw/zinc/95/42/49/483954249.db2.gz ZWORAXDHPHUHQW-LBPRGKRZSA-N -1 0 371.463 -0.275 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCc3onc(C(=O)[O-])c3C2)cn1 ZINC000574076542 483956354 /nfs/dbraw/zinc/95/63/54/483956354.db2.gz FPIAPNCEGYTXKZ-UHFFFAOYSA-N -1 0 370.343 -0.511 20 0 FBADRM CNC(=O)Cn1nc([N-]S(=O)(=O)c2cncc(C(=O)OC)c2)cc1C ZINC000574112520 483958356 /nfs/dbraw/zinc/95/83/56/483958356.db2.gz JOCOWYXOGFNXQV-UHFFFAOYSA-N -1 0 367.387 -0.080 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])CC1 ZINC000574133159 483957760 /nfs/dbraw/zinc/95/77/60/483957760.db2.gz PUKMDWHYIQHXQI-AOUSDQRYSA-N -1 0 353.418 -0.823 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])CC1 ZINC000574133160 483957928 /nfs/dbraw/zinc/95/79/28/483957928.db2.gz PUKMDWHYIQHXQI-BTKVJGODSA-N -1 0 353.418 -0.823 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])CC1 ZINC000574133161 483958592 /nfs/dbraw/zinc/95/85/92/483958592.db2.gz PUKMDWHYIQHXQI-FPVGNUTFSA-N -1 0 353.418 -0.823 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])CC1 ZINC000574133162 483957559 /nfs/dbraw/zinc/95/75/59/483957559.db2.gz PUKMDWHYIQHXQI-JLTPVHFHSA-N -1 0 353.418 -0.823 20 0 FBADRM C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)N3CC[S@](=O)C[C@@H]3C(=O)[O-])cc21 ZINC000574133502 483958053 /nfs/dbraw/zinc/95/80/53/483958053.db2.gz NOOXJPLEZVIUHV-FOSYAUMMSA-N -1 0 372.424 -0.052 20 0 FBADRM C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)N3CC[S@@](=O)C[C@H]3C(=O)[O-])cc21 ZINC000574133503 483958210 /nfs/dbraw/zinc/95/82/10/483958210.db2.gz NOOXJPLEZVIUHV-HNJWTDORSA-N -1 0 372.424 -0.052 20 0 FBADRM C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)N3CC[S@](=O)C[C@H]3C(=O)[O-])cc21 ZINC000574133504 483957853 /nfs/dbraw/zinc/95/78/53/483957853.db2.gz NOOXJPLEZVIUHV-NECKFFDLSA-N -1 0 372.424 -0.052 20 0 FBADRM C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)N3CC[S@@](=O)C[C@@H]3C(=O)[O-])cc21 ZINC000574133505 483957735 /nfs/dbraw/zinc/95/77/35/483957735.db2.gz NOOXJPLEZVIUHV-WMUXUAJMSA-N -1 0 372.424 -0.052 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000574150100 483958558 /nfs/dbraw/zinc/95/85/58/483958558.db2.gz YKXMQWPFRFODTL-HTQZYQBOSA-N -1 0 363.296 -0.194 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000574150101 483958384 /nfs/dbraw/zinc/95/83/84/483958384.db2.gz YKXMQWPFRFODTL-JGVFFNPUSA-N -1 0 363.296 -0.194 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000574150102 483957823 /nfs/dbraw/zinc/95/78/23/483957823.db2.gz YKXMQWPFRFODTL-SFYZADRCSA-N -1 0 363.296 -0.194 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000574150103 483958613 /nfs/dbraw/zinc/95/86/13/483958613.db2.gz YKXMQWPFRFODTL-YUMQZZPRSA-N -1 0 363.296 -0.194 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000574204859 483962234 /nfs/dbraw/zinc/96/22/34/483962234.db2.gz PADFVBXUAAHIKB-CYBMUJFWSA-N -1 0 369.399 -0.001 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)NCc1cccnc1N1CCOCC1 ZINC000574206609 483961740 /nfs/dbraw/zinc/96/17/40/483961740.db2.gz YYMZWAYRVOIWQW-UHFFFAOYSA-N -1 0 350.375 -0.485 20 0 FBADRM C[C@H](CN(C)C(=O)CNS(=O)(=O)c1ccccc1F)c1nnn[n-]1 ZINC000574208590 483961382 /nfs/dbraw/zinc/96/13/82/483961382.db2.gz RASFHHFUPNBYOD-SECBINFHSA-N -1 0 356.383 -0.121 20 0 FBADRM C[C@@H](CN(C)C(=O)CNS(=O)(=O)c1ccccc1F)c1nnn[n-]1 ZINC000574208591 483961971 /nfs/dbraw/zinc/96/19/71/483961971.db2.gz RASFHHFUPNBYOD-VIFPVBQESA-N -1 0 356.383 -0.121 20 0 FBADRM Cc1ncc(S(N)(=O)=O)cc1C(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000574216497 483961669 /nfs/dbraw/zinc/96/16/69/483961669.db2.gz ILUMPZZJXAWNAX-UHFFFAOYSA-N -1 0 351.392 -0.250 20 0 FBADRM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000574229698 483963771 /nfs/dbraw/zinc/96/37/71/483963771.db2.gz GNGQYJIDCOKFQN-GXSJLCMTSA-N -1 0 360.392 -0.373 20 0 FBADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000574229699 483962721 /nfs/dbraw/zinc/96/27/21/483962721.db2.gz GNGQYJIDCOKFQN-KOLCDFICSA-N -1 0 360.392 -0.373 20 0 FBADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000574229700 483963558 /nfs/dbraw/zinc/96/35/58/483963558.db2.gz GNGQYJIDCOKFQN-MWLCHTKSSA-N -1 0 360.392 -0.373 20 0 FBADRM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000574229701 483963271 /nfs/dbraw/zinc/96/32/71/483963271.db2.gz GNGQYJIDCOKFQN-ONGXEEELSA-N -1 0 360.392 -0.373 20 0 FBADRM COC(=O)c1c(F)cccc1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000574229718 483963179 /nfs/dbraw/zinc/96/31/79/483963179.db2.gz JUZADBBPPKYICR-UHFFFAOYSA-N -1 0 372.334 -0.120 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)CCC1 ZINC000574248823 483963683 /nfs/dbraw/zinc/96/36/83/483963683.db2.gz IEKBQDPPHDDWNG-NXEZZACHSA-N -1 0 362.404 -0.690 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)CCC1 ZINC000574248830 483963438 /nfs/dbraw/zinc/96/34/38/483963438.db2.gz IEKBQDPPHDDWNG-UWVGGRQHSA-N -1 0 362.404 -0.690 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)CCC1 ZINC000574248832 483963649 /nfs/dbraw/zinc/96/36/49/483963649.db2.gz IEKBQDPPHDDWNG-VHSXEESVSA-N -1 0 362.404 -0.690 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)CCC1 ZINC000574248834 483962864 /nfs/dbraw/zinc/96/28/64/483962864.db2.gz IEKBQDPPHDDWNG-ZJUUUORDSA-N -1 0 362.404 -0.690 20 0 FBADRM CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cncc(C(=O)[O-])c2)C1 ZINC000574273998 483965010 /nfs/dbraw/zinc/96/50/10/483965010.db2.gz ZGLMXDURFKKIPT-JTQLQIEISA-N -1 0 363.417 -0.518 20 0 FBADRM CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cncc(C(=O)[O-])c2)C1 ZINC000574273999 483965791 /nfs/dbraw/zinc/96/57/91/483965791.db2.gz ZGLMXDURFKKIPT-SNVBAGLBSA-N -1 0 363.417 -0.518 20 0 FBADRM NC(=O)CN1CCN(C(=O)c2cccc(Br)c2[O-])CC1=O ZINC000574282528 483964795 /nfs/dbraw/zinc/96/47/95/483964795.db2.gz NSJACZPZNJNYKT-UHFFFAOYSA-N -1 0 356.176 -0.076 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000574317253 483966352 /nfs/dbraw/zinc/96/63/52/483966352.db2.gz RMYHTSYLFKNCAB-GMTAPVOTSA-N -1 0 369.465 -0.770 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000574317255 483967203 /nfs/dbraw/zinc/96/72/03/483967203.db2.gz RMYHTSYLFKNCAB-MXWKQRLJSA-N -1 0 369.465 -0.770 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NS(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000574317256 483967246 /nfs/dbraw/zinc/96/72/46/483967246.db2.gz RMYHTSYLFKNCAB-OUAUKWLOSA-N -1 0 369.465 -0.770 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000574317257 483967192 /nfs/dbraw/zinc/96/71/92/483967192.db2.gz RMYHTSYLFKNCAB-VWYCJHECSA-N -1 0 369.465 -0.770 20 0 FBADRM CO[C@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000574319646 483968529 /nfs/dbraw/zinc/96/85/29/483968529.db2.gz NVPWMCRTAQLYCT-NEPJUHHUSA-N -1 0 367.387 -0.085 20 0 FBADRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000574319648 483968054 /nfs/dbraw/zinc/96/80/54/483968054.db2.gz NVPWMCRTAQLYCT-NWDGAFQWSA-N -1 0 367.387 -0.085 20 0 FBADRM CO[C@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000574319650 483968696 /nfs/dbraw/zinc/96/86/96/483968696.db2.gz NVPWMCRTAQLYCT-RYUDHWBXSA-N -1 0 367.387 -0.085 20 0 FBADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000574319651 483968944 /nfs/dbraw/zinc/96/89/44/483968944.db2.gz NVPWMCRTAQLYCT-VXGBXAGGSA-N -1 0 367.387 -0.085 20 0 FBADRM CC[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000574321387 483968562 /nfs/dbraw/zinc/96/85/62/483968562.db2.gz BNNQWUXTIBAYAT-HZSPNIEDSA-N -1 0 355.435 -0.529 20 0 FBADRM CC[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000574321390 483968804 /nfs/dbraw/zinc/96/88/04/483968804.db2.gz BNNQWUXTIBAYAT-IHRRRGAJSA-N -1 0 355.435 -0.529 20 0 FBADRM CC[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000574321393 483968184 /nfs/dbraw/zinc/96/81/84/483968184.db2.gz BNNQWUXTIBAYAT-MELADBBJSA-N -1 0 355.435 -0.529 20 0 FBADRM CC[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000574321394 483969173 /nfs/dbraw/zinc/96/91/73/483969173.db2.gz BNNQWUXTIBAYAT-RDBSUJKOSA-N -1 0 355.435 -0.529 20 0 FBADRM NC(=O)c1cc(CNC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)on1 ZINC000574326032 483968833 /nfs/dbraw/zinc/96/88/33/483968833.db2.gz HMHXPHMFRFSKBG-UHFFFAOYSA-N -1 0 374.325 -0.354 20 0 FBADRM O=c1[nH]c2cc(F)c(S(=O)(=O)NCCN3CCC(O)CC3)cc2o1 ZINC000574340138 483969155 /nfs/dbraw/zinc/96/91/55/483969155.db2.gz WBPUJTIUNXYNQW-UHFFFAOYSA-N -1 0 359.379 -0.005 20 0 FBADRM CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCOCC(=O)[O-] ZINC000574341248 483968741 /nfs/dbraw/zinc/96/87/41/483968741.db2.gz HAFAJAFIIOBBLZ-UHFFFAOYSA-N -1 0 366.417 -0.636 20 0 FBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])c(F)c1 ZINC000574344085 483970209 /nfs/dbraw/zinc/97/02/09/483970209.db2.gz FDIRLLZETUJTQF-UHFFFAOYSA-N -1 0 370.380 -0.735 20 0 FBADRM O=C([O-])c1cn(CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)nn1 ZINC000574350801 483971189 /nfs/dbraw/zinc/97/11/89/483971189.db2.gz FDPYSBQLANSSJP-UHFFFAOYSA-N -1 0 353.316 -0.198 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000574353883 483971005 /nfs/dbraw/zinc/97/10/05/483971005.db2.gz QKUKSMNBXDZNAK-CMPLNLGQSA-N -1 0 355.434 -0.826 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000574353884 483969747 /nfs/dbraw/zinc/96/97/47/483969747.db2.gz QKUKSMNBXDZNAK-JQWIXIFHSA-N -1 0 355.434 -0.826 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000574353885 483970702 /nfs/dbraw/zinc/97/07/02/483970702.db2.gz QKUKSMNBXDZNAK-PWSUYJOCSA-N -1 0 355.434 -0.826 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000574353887 483877127 /nfs/dbraw/zinc/87/71/27/483877127.db2.gz QKUKSMNBXDZNAK-ZYHUDNBSSA-N -1 0 355.434 -0.826 20 0 FBADRM CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)[O-] ZINC000574383388 483970637 /nfs/dbraw/zinc/97/06/37/483970637.db2.gz HKUQQJWGNRLXIE-GFCCVEGCSA-N -1 0 369.399 -0.600 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])c(F)c1 ZINC000574389403 483970177 /nfs/dbraw/zinc/97/01/77/483970177.db2.gz WDMPBGFVZAXAGT-GFCCVEGCSA-N -1 0 362.379 -0.102 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])c(F)c1 ZINC000574389404 483970661 /nfs/dbraw/zinc/97/06/61/483970661.db2.gz WDMPBGFVZAXAGT-LBPRGKRZSA-N -1 0 362.379 -0.102 20 0 FBADRM CS(=O)(=O)N1CCC(NS(=O)(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC000574396806 483973168 /nfs/dbraw/zinc/97/31/68/483973168.db2.gz ILIXRUZGYUAKHZ-UHFFFAOYSA-N -1 0 363.417 -0.518 20 0 FBADRM CC(C)(C)N1CC[C@@H](NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1=O ZINC000574397464 483972148 /nfs/dbraw/zinc/97/21/48/483972148.db2.gz DKWROVNNHBLKNM-NXEZZACHSA-N -1 0 361.420 -0.721 20 0 FBADRM CC(C)(C)N1CC[C@H](NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1=O ZINC000574397472 483973093 /nfs/dbraw/zinc/97/30/93/483973093.db2.gz DKWROVNNHBLKNM-UWVGGRQHSA-N -1 0 361.420 -0.721 20 0 FBADRM CC(C)(C)N1CC[C@H](NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1=O ZINC000574397474 483972504 /nfs/dbraw/zinc/97/25/04/483972504.db2.gz DKWROVNNHBLKNM-VHSXEESVSA-N -1 0 361.420 -0.721 20 0 FBADRM CC(C)(C)N1CC[C@@H](NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1=O ZINC000574397476 483972176 /nfs/dbraw/zinc/97/21/76/483972176.db2.gz DKWROVNNHBLKNM-ZJUUUORDSA-N -1 0 361.420 -0.721 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC(C)(C)c2nnn[n-]2)c1 ZINC000574403044 483973106 /nfs/dbraw/zinc/97/31/06/483973106.db2.gz VEHMRWINBOEIJU-UHFFFAOYSA-N -1 0 366.403 -0.268 20 0 FBADRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC000574412911 483972719 /nfs/dbraw/zinc/97/27/19/483972719.db2.gz CHWPGFZTJXHSBH-VXGBXAGGSA-N -1 0 362.429 -0.746 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CCN2C(=O)CCC2=O)ccc1[O-] ZINC000574431652 483974492 /nfs/dbraw/zinc/97/44/92/483974492.db2.gz ZAACQQURFBOTMG-UHFFFAOYSA-N -1 0 355.372 -0.222 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCc2onc(C(=O)[O-])c2C1 ZINC000574435630 483974351 /nfs/dbraw/zinc/97/43/51/483974351.db2.gz QMBYPRNGMNWJHZ-UHFFFAOYSA-N -1 0 363.392 -0.430 20 0 FBADRM COC(=O)c1cnccc1[N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000574446924 483973618 /nfs/dbraw/zinc/97/36/18/483973618.db2.gz LBEZUQNSGGXGAE-UHFFFAOYSA-N -1 0 371.396 -0.262 20 0 FBADRM C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000574457980 483976829 /nfs/dbraw/zinc/97/68/29/483976829.db2.gz YPEQXBKYUVWZNE-NEPJUHHUSA-N -1 0 354.407 -0.380 20 0 FBADRM C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000574457987 483975537 /nfs/dbraw/zinc/97/55/37/483975537.db2.gz YPEQXBKYUVWZNE-NWDGAFQWSA-N -1 0 354.407 -0.380 20 0 FBADRM C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000574457988 483976459 /nfs/dbraw/zinc/97/64/59/483976459.db2.gz YPEQXBKYUVWZNE-RYUDHWBXSA-N -1 0 354.407 -0.380 20 0 FBADRM C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000574457990 483976854 /nfs/dbraw/zinc/97/68/54/483976854.db2.gz YPEQXBKYUVWZNE-VXGBXAGGSA-N -1 0 354.407 -0.380 20 0 FBADRM COC(=O)c1cc(F)ccc1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000574469732 483975494 /nfs/dbraw/zinc/97/54/94/483975494.db2.gz UCQAXLIAOGZVLM-UHFFFAOYSA-N -1 0 372.334 -0.120 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NCCNc1cnccn1 ZINC000574489346 484227618 /nfs/dbraw/zinc/22/76/18/484227618.db2.gz JDAOQFCWQYDKEH-UHFFFAOYSA-N -1 0 371.369 0.261 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2CC(C)(C)OC[C@@H]2C(=O)[O-])CC1 ZINC000574496632 483978093 /nfs/dbraw/zinc/97/80/93/483978093.db2.gz JYDPCCADKRWELF-LLVKDONJSA-N -1 0 364.420 -0.320 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2CC(C)(C)OC[C@H]2C(=O)[O-])CC1 ZINC000574496633 483977881 /nfs/dbraw/zinc/97/78/81/483977881.db2.gz JYDPCCADKRWELF-NSHDSACASA-N -1 0 364.420 -0.320 20 0 FBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c(F)c1 ZINC000574499621 483977935 /nfs/dbraw/zinc/97/79/35/483977935.db2.gz MVVVLSPHQMSZFE-SECBINFHSA-N -1 0 370.380 -0.689 20 0 FBADRM CCN(C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000574510621 483977741 /nfs/dbraw/zinc/97/77/41/483977741.db2.gz HJHDBOKNCABEDC-HWWQOWPSSA-N -1 0 372.443 -0.265 20 0 FBADRM CCN(C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000574510622 483978551 /nfs/dbraw/zinc/97/85/51/483978551.db2.gz HJHDBOKNCABEDC-MQIPJXDCSA-N -1 0 372.443 -0.265 20 0 FBADRM C[C@H]1CCCC[C@@H]1OCCNC(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000574523106 483980804 /nfs/dbraw/zinc/98/08/04/483980804.db2.gz KFSLVRGQXISWNS-KBPBESRZSA-N -1 0 355.435 -0.073 20 0 FBADRM C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000574523107 483979482 /nfs/dbraw/zinc/97/94/82/483979482.db2.gz KFSLVRGQXISWNS-KGLIPLIRSA-N -1 0 355.435 -0.073 20 0 FBADRM C[C@H]1CCCC[C@H]1OCCNC(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000574523108 483980591 /nfs/dbraw/zinc/98/05/91/483980591.db2.gz KFSLVRGQXISWNS-UONOGXRCSA-N -1 0 355.435 -0.073 20 0 FBADRM C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000574523109 483979562 /nfs/dbraw/zinc/97/95/62/483979562.db2.gz KFSLVRGQXISWNS-ZIAGYGMSSA-N -1 0 355.435 -0.073 20 0 FBADRM COC(=O)Cc1cc(OC)ccc1S(=O)(=O)NCCOCC(=O)[O-] ZINC000574543723 483979382 /nfs/dbraw/zinc/97/93/82/483979382.db2.gz HSEQBDFOUICCEQ-UHFFFAOYSA-N -1 0 361.372 -0.210 20 0 FBADRM O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NC1(c2nnn[n-]2)CC1 ZINC000574564189 483982150 /nfs/dbraw/zinc/98/21/50/483982150.db2.gz YXKPDIOKFSNYLD-UHFFFAOYSA-N -1 0 356.795 -0.063 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC000574570790 483982724 /nfs/dbraw/zinc/98/27/24/483982724.db2.gz QIKWACFPUPOBCV-UHFFFAOYSA-N -1 0 355.419 -0.893 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCCC(=O)[O-] ZINC000574572221 483981748 /nfs/dbraw/zinc/98/17/48/483981748.db2.gz KHHKIIQAQPYUEZ-SECBINFHSA-N -1 0 357.388 -0.567 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCCC(=O)[O-] ZINC000574572222 483981495 /nfs/dbraw/zinc/98/14/95/483981495.db2.gz KHHKIIQAQPYUEZ-VIFPVBQESA-N -1 0 357.388 -0.567 20 0 FBADRM Cc1cc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)ccc1OCC(=O)[O-] ZINC000574576039 483982527 /nfs/dbraw/zinc/98/25/27/483982527.db2.gz FQEXMEHBKFECMQ-JTQLQIEISA-N -1 0 363.413 -0.076 20 0 FBADRM Cc1cc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1OCC(=O)[O-] ZINC000574576040 483982463 /nfs/dbraw/zinc/98/24/63/483982463.db2.gz FQEXMEHBKFECMQ-SNVBAGLBSA-N -1 0 363.413 -0.076 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)cn1C ZINC000574576255 483982489 /nfs/dbraw/zinc/98/24/89/483982489.db2.gz PPJGNCJCQFDYPE-SECBINFHSA-N -1 0 373.387 -0.977 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)cn1C ZINC000574576259 483981379 /nfs/dbraw/zinc/98/13/79/483981379.db2.gz PPJGNCJCQFDYPE-VIFPVBQESA-N -1 0 373.387 -0.977 20 0 FBADRM COc1ccc([C@@H](NC(=O)NCCNS(C)(=O)=O)C(=O)[O-])cc1F ZINC000574587924 483984655 /nfs/dbraw/zinc/98/46/55/483984655.db2.gz FLMAMUIZFNYWRD-LLVKDONJSA-N -1 0 363.367 -0.192 20 0 FBADRM COc1ccc([C@H](NC(=O)NCCNS(C)(=O)=O)C(=O)[O-])cc1F ZINC000574587925 483984189 /nfs/dbraw/zinc/98/41/89/483984189.db2.gz FLMAMUIZFNYWRD-NSHDSACASA-N -1 0 363.367 -0.192 20 0 FBADRM COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cn1 ZINC000574617308 484295078 /nfs/dbraw/zinc/29/50/78/484295078.db2.gz FGTXQPMSVUHWRA-UHFFFAOYSA-N -1 0 372.384 -0.289 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])o1 ZINC000574638167 483986130 /nfs/dbraw/zinc/98/61/30/483986130.db2.gz ZJPYCYVXMQSRBO-SECBINFHSA-N -1 0 374.371 -0.190 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])o1 ZINC000574638169 483986583 /nfs/dbraw/zinc/98/65/83/483986583.db2.gz ZJPYCYVXMQSRBO-VIFPVBQESA-N -1 0 374.371 -0.190 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000574642321 483985621 /nfs/dbraw/zinc/98/56/21/483985621.db2.gz ODQINOJSVRFFSR-SECBINFHSA-N -1 0 365.433 -0.717 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000574642322 483986869 /nfs/dbraw/zinc/98/68/69/483986869.db2.gz ODQINOJSVRFFSR-VIFPVBQESA-N -1 0 365.433 -0.717 20 0 FBADRM C[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c[nH]cn2)cc1 ZINC000574651036 483985261 /nfs/dbraw/zinc/98/52/61/483985261.db2.gz GQAMSKHQVFIRMB-VIFPVBQESA-N -1 0 360.417 -0.130 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NCc1cccc(C(=O)[O-])c1 ZINC000574676965 483988242 /nfs/dbraw/zinc/98/82/42/483988242.db2.gz YEHRCEXVIREQBZ-UHFFFAOYSA-N -1 0 350.418 -0.257 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCCC(C)(C)S(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000574756887 483991971 /nfs/dbraw/zinc/99/19/71/483991971.db2.gz HEBZWPUZVFZIPU-GHMZBOCLSA-N -1 0 362.448 -0.115 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCCC(C)(C)S(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000574756888 483991116 /nfs/dbraw/zinc/99/11/16/483991116.db2.gz HEBZWPUZVFZIPU-MNOVXSKESA-N -1 0 362.448 -0.115 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCCC(C)(C)S(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000574756889 483991430 /nfs/dbraw/zinc/99/14/30/483991430.db2.gz HEBZWPUZVFZIPU-QWRGUYRKSA-N -1 0 362.448 -0.115 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCCC(C)(C)S(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000574756890 483991782 /nfs/dbraw/zinc/99/17/82/483991782.db2.gz HEBZWPUZVFZIPU-WDEREUQCSA-N -1 0 362.448 -0.115 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(Nc3ccc(C(=O)[O-])nn3)CC2)cn1 ZINC000574758856 484488725 /nfs/dbraw/zinc/48/87/25/484488725.db2.gz AGIUPNYWJUZDOQ-UHFFFAOYSA-N -1 0 366.403 0.174 20 0 FBADRM NS(=O)(=O)c1cccnc1N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000574759977 483992305 /nfs/dbraw/zinc/99/23/05/483992305.db2.gz UPCHEMKXCLWBTH-SECBINFHSA-N -1 0 352.376 -0.140 20 0 FBADRM NS(=O)(=O)c1cccnc1N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000574759978 483992111 /nfs/dbraw/zinc/99/21/11/483992111.db2.gz UPCHEMKXCLWBTH-VIFPVBQESA-N -1 0 352.376 -0.140 20 0 FBADRM COCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1 ZINC000574770114 483993518 /nfs/dbraw/zinc/99/35/18/483993518.db2.gz GHWIPRDNBSZGLQ-UHFFFAOYSA-N -1 0 361.405 -0.470 20 0 FBADRM CC(C)(CCS(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1)S(C)(=O)=O ZINC000574809931 483995632 /nfs/dbraw/zinc/99/56/32/483995632.db2.gz YQHJVBZUHHBISG-GFCCVEGCSA-N -1 0 357.450 -0.247 20 0 FBADRM CC(C)(CCS(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1)S(C)(=O)=O ZINC000574809932 483995286 /nfs/dbraw/zinc/99/52/86/483995286.db2.gz YQHJVBZUHHBISG-LBPRGKRZSA-N -1 0 357.450 -0.247 20 0 FBADRM O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)NS(=O)(=O)NC1CC1 ZINC000574814572 483995132 /nfs/dbraw/zinc/99/51/32/483995132.db2.gz KWIRCGWUMYWVOI-CYBMUJFWSA-N -1 0 351.388 -0.151 20 0 FBADRM O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)NS(=O)(=O)NC1CC1 ZINC000574814576 483995683 /nfs/dbraw/zinc/99/56/83/483995683.db2.gz KWIRCGWUMYWVOI-ZDUSSCGKSA-N -1 0 351.388 -0.151 20 0 FBADRM NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1)C(=O)[O-] ZINC000574815062 483994703 /nfs/dbraw/zinc/99/47/03/483994703.db2.gz QAYOAPDQSKCBFW-LLVKDONJSA-N -1 0 355.372 -0.814 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])CN2CCOCC2)cn1 ZINC000574815260 483995042 /nfs/dbraw/zinc/99/50/42/483995042.db2.gz UGPQJRKPSZUOPZ-GFCCVEGCSA-N -1 0 373.431 -0.066 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])CN2CCOCC2)cn1 ZINC000574815262 483995018 /nfs/dbraw/zinc/99/50/18/483995018.db2.gz UGPQJRKPSZUOPZ-LBPRGKRZSA-N -1 0 373.431 -0.066 20 0 FBADRM CCOC(=O)c1cnccc1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000574852782 483998431 /nfs/dbraw/zinc/99/84/31/483998431.db2.gz FULMWCLYFFUFJO-UHFFFAOYSA-N -1 0 352.372 -0.082 20 0 FBADRM CNS(=O)(=O)c1cccc(CNS(=O)(=O)CCCC(=O)[O-])c1 ZINC000574873517 483999023 /nfs/dbraw/zinc/99/90/23/483999023.db2.gz DYAHKLFTVXGDII-UHFFFAOYSA-N -1 0 350.418 -0.121 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000574874720 483998874 /nfs/dbraw/zinc/99/88/74/483998874.db2.gz PVDGIJUNFSIZDJ-JTQLQIEISA-N -1 0 356.466 -0.217 20 0 FBADRM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000574874728 483998912 /nfs/dbraw/zinc/99/89/12/483998912.db2.gz PVDGIJUNFSIZDJ-SNVBAGLBSA-N -1 0 356.466 -0.217 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1 ZINC000574874966 483998572 /nfs/dbraw/zinc/99/85/72/483998572.db2.gz TWVQNYQSANMXFJ-LLVKDONJSA-N -1 0 354.450 -0.463 20 0 FBADRM CN(Cc1nnnn1C)C(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000574878186 483999160 /nfs/dbraw/zinc/99/91/60/483999160.db2.gz POOHGZLYQGOVSX-OLZOCXBDSA-N -1 0 372.385 -0.505 20 0 FBADRM NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)c1 ZINC000574895081 484035620 /nfs/dbraw/zinc/03/56/20/484035620.db2.gz JDIHJHZCKLSFHH-DOMZBBRYSA-N -1 0 354.384 -0.103 20 0 FBADRM NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)c1 ZINC000574895082 484035461 /nfs/dbraw/zinc/03/54/61/484035461.db2.gz JDIHJHZCKLSFHH-IUODEOHRSA-N -1 0 354.384 -0.103 20 0 FBADRM NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@]3(CCOC3)C2)c1 ZINC000574895083 484035911 /nfs/dbraw/zinc/03/59/11/484035911.db2.gz JDIHJHZCKLSFHH-SWLSCSKDSA-N -1 0 354.384 -0.103 20 0 FBADRM NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@]3(CCOC3)C2)c1 ZINC000574895084 484035729 /nfs/dbraw/zinc/03/57/29/484035729.db2.gz JDIHJHZCKLSFHH-WFASDCNBSA-N -1 0 354.384 -0.103 20 0 FBADRM CS(=O)(=O)N1CCc2c1cccc2NC(=O)C(=O)NCCCC(=O)[O-] ZINC000574916652 484261730 /nfs/dbraw/zinc/26/17/30/484261730.db2.gz ZITMIMIUGQIBLS-UHFFFAOYSA-N -1 0 369.399 -0.072 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000574953529 484277421 /nfs/dbraw/zinc/27/74/21/484277421.db2.gz JTAXWKRSGHKVHZ-HNNXBMFYSA-N -1 0 371.415 -0.020 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000574953530 484276694 /nfs/dbraw/zinc/27/66/94/484276694.db2.gz JTAXWKRSGHKVHZ-OAHLLOKOSA-N -1 0 371.415 -0.020 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)cc1 ZINC000574954395 484277040 /nfs/dbraw/zinc/27/70/40/484277040.db2.gz UDHOAXUBTPGGHS-DOMZBBRYSA-N -1 0 354.384 -0.103 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)cc1 ZINC000574954396 484277053 /nfs/dbraw/zinc/27/70/53/484277053.db2.gz UDHOAXUBTPGGHS-IUODEOHRSA-N -1 0 354.384 -0.103 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@]3(CCOC3)C2)cc1 ZINC000574954397 484277485 /nfs/dbraw/zinc/27/74/85/484277485.db2.gz UDHOAXUBTPGGHS-SWLSCSKDSA-N -1 0 354.384 -0.103 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@]3(CCOC3)C2)cc1 ZINC000574954398 484276900 /nfs/dbraw/zinc/27/69/00/484276900.db2.gz UDHOAXUBTPGGHS-WFASDCNBSA-N -1 0 354.384 -0.103 20 0 FBADRM CCN(CCCNC(=O)N(CC(=O)[O-])C1CCOCC1)S(C)(=O)=O ZINC000574983723 483686183 /nfs/dbraw/zinc/68/61/83/483686183.db2.gz NRYWNHXFGJGEAH-UHFFFAOYSA-N -1 0 365.452 -0.067 20 0 FBADRM CS(=O)(=O)C[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])c1ccccc1 ZINC000574989210 484989557 /nfs/dbraw/zinc/98/95/57/484989557.db2.gz IVXWVUCBAGQJDM-GFCCVEGCSA-N -1 0 356.400 -0.131 20 0 FBADRM CS(=O)(=O)C[C@H](NC(=O)C(=O)NCCCC(=O)[O-])c1ccccc1 ZINC000574989211 484989783 /nfs/dbraw/zinc/98/97/83/484989783.db2.gz IVXWVUCBAGQJDM-LBPRGKRZSA-N -1 0 356.400 -0.131 20 0 FBADRM CNC(=O)CCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000574989352 484986080 /nfs/dbraw/zinc/98/60/80/484986080.db2.gz OJDOAAWSQDRVQE-KGLIPLIRSA-N -1 0 361.398 -0.044 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000574989587 484986342 /nfs/dbraw/zinc/98/63/42/484986342.db2.gz YITLDNAOQOBTIM-UHFFFAOYSA-N -1 0 362.430 -0.094 20 0 FBADRM NS(=O)(=O)c1cnc(N2CCC(n3cc(C(=O)[O-])nn3)CC2)s1 ZINC000574992302 484995653 /nfs/dbraw/zinc/99/56/53/484995653.db2.gz CZUPFXNIUCKEIW-UHFFFAOYSA-N -1 0 358.405 -0.078 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000574993175 484992202 /nfs/dbraw/zinc/99/22/02/484992202.db2.gz JUCUOYOATPNYMW-UHFFFAOYSA-N -1 0 366.298 -0.123 20 0 FBADRM COCC(=O)N1CCN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC000574993376 484992281 /nfs/dbraw/zinc/99/22/81/484992281.db2.gz RGXVUNLLKGCNFY-UHFFFAOYSA-N -1 0 356.400 -0.207 20 0 FBADRM CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000575043382 484261971 /nfs/dbraw/zinc/26/19/71/484261971.db2.gz YBAVGOLVTMFDTH-SSDOTTSWSA-N -1 0 369.446 -0.599 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000575043383 484261297 /nfs/dbraw/zinc/26/12/97/484261297.db2.gz YBAVGOLVTMFDTH-ZETCQYMHSA-N -1 0 369.446 -0.599 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Cn2nnnc2-c2ccsc2)CCS1(=O)=O ZINC000575046387 484000637 /nfs/dbraw/zinc/00/06/37/484000637.db2.gz NTEDRWWFIFTOCM-SECBINFHSA-N -1 0 371.400 -0.888 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2nnnc2-c2ccsc2)CCS1(=O)=O ZINC000575046388 484001130 /nfs/dbraw/zinc/00/11/30/484001130.db2.gz NTEDRWWFIFTOCM-VIFPVBQESA-N -1 0 371.400 -0.888 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)C[C@@H]1C(=O)[O-] ZINC000575046544 484000706 /nfs/dbraw/zinc/00/07/06/484000706.db2.gz UFHXFNPEOGIGOA-AGIUHOORSA-N -1 0 374.459 -0.161 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)C[C@H]1C(=O)[O-] ZINC000575046545 484000210 /nfs/dbraw/zinc/00/02/10/484000210.db2.gz UFHXFNPEOGIGOA-FRRDWIJNSA-N -1 0 374.459 -0.161 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)C[C@H]1C(=O)[O-] ZINC000575046546 484000336 /nfs/dbraw/zinc/00/03/36/484000336.db2.gz UFHXFNPEOGIGOA-JHJVBQTASA-N -1 0 374.459 -0.161 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)C[C@@H]1C(=O)[O-] ZINC000575046547 484000262 /nfs/dbraw/zinc/00/02/62/484000262.db2.gz UFHXFNPEOGIGOA-UPJWGTAASA-N -1 0 374.459 -0.161 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)cn1 ZINC000575062063 484288277 /nfs/dbraw/zinc/28/82/77/484288277.db2.gz YJNWNQQBLQHUEG-UHFFFAOYSA-N -1 0 366.403 -0.167 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1 ZINC000575067970 484003011 /nfs/dbraw/zinc/00/30/11/484003011.db2.gz MWANWNWKMPFNOS-LLVKDONJSA-N -1 0 352.372 -0.206 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1 ZINC000575067971 484002720 /nfs/dbraw/zinc/00/27/20/484002720.db2.gz MWANWNWKMPFNOS-NSHDSACASA-N -1 0 352.372 -0.206 20 0 FBADRM COC(=O)C(C)(C)c1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000575073286 484003388 /nfs/dbraw/zinc/00/33/88/484003388.db2.gz XZARVCMCZSVHGZ-UHFFFAOYSA-N -1 0 372.399 -0.384 20 0 FBADRM O=C(CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)NCCCN1CCCC1=O ZINC000575090313 484004625 /nfs/dbraw/zinc/00/46/25/484004625.db2.gz UOOBQSSPVPPSBR-GFCCVEGCSA-N -1 0 350.423 -0.182 20 0 FBADRM O=C(CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)NCCCN1CCCC1=O ZINC000575090314 484004702 /nfs/dbraw/zinc/00/47/02/484004702.db2.gz UOOBQSSPVPPSBR-LBPRGKRZSA-N -1 0 350.423 -0.182 20 0 FBADRM COC(=O)[C@@H](CN1CCOCC1)[N-]S(=O)(=O)CC1(OC)CCCC1 ZINC000575101943 484004130 /nfs/dbraw/zinc/00/41/30/484004130.db2.gz GEIKQYFEIPVMLP-CYBMUJFWSA-N -1 0 364.464 -0.261 20 0 FBADRM COC(=O)[C@H](CN1CCOCC1)[N-]S(=O)(=O)CC1(OC)CCCC1 ZINC000575101944 484004949 /nfs/dbraw/zinc/00/49/49/484004949.db2.gz GEIKQYFEIPVMLP-ZDUSSCGKSA-N -1 0 364.464 -0.261 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCn3cccc3[C@@H]2C(=O)[O-])cn1 ZINC000575116465 484004614 /nfs/dbraw/zinc/00/46/14/484004614.db2.gz ALMXULZWASPGGB-CYBMUJFWSA-N -1 0 368.371 -0.312 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCn3cccc3[C@H]2C(=O)[O-])cn1 ZINC000575116466 484004444 /nfs/dbraw/zinc/00/44/44/484004444.db2.gz ALMXULZWASPGGB-ZDUSSCGKSA-N -1 0 368.371 -0.312 20 0 FBADRM CN(C1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1)S(C)(=O)=O ZINC000575120646 484004121 /nfs/dbraw/zinc/00/41/21/484004121.db2.gz COBRNXUGOBTBMP-UHFFFAOYSA-N -1 0 365.433 -0.243 20 0 FBADRM COc1cc(S(=O)(=O)N[C@@]2(C(N)=O)CCOC2)cc(C(=O)[O-])c1OC ZINC000575134244 484006791 /nfs/dbraw/zinc/00/67/91/484006791.db2.gz QYXVAGKASFHHBR-AWEZNQCLSA-N -1 0 374.371 -0.675 20 0 FBADRM COc1cc(S(=O)(=O)N[C@]2(C(N)=O)CCOC2)cc(C(=O)[O-])c1OC ZINC000575134245 484006374 /nfs/dbraw/zinc/00/63/74/484006374.db2.gz QYXVAGKASFHHBR-CQSZACIVSA-N -1 0 374.371 -0.675 20 0 FBADRM CN(C)C(=O)CCNS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000575145007 484006546 /nfs/dbraw/zinc/00/65/46/484006546.db2.gz HZKZNAHZOXVBRP-UHFFFAOYSA-N -1 0 358.372 -0.087 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1 ZINC000575177923 484007757 /nfs/dbraw/zinc/00/77/57/484007757.db2.gz FHXVKIFTYSDBJX-LLVKDONJSA-N -1 0 362.429 -0.374 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1 ZINC000575177925 484008701 /nfs/dbraw/zinc/00/87/01/484008701.db2.gz FHXVKIFTYSDBJX-NSHDSACASA-N -1 0 362.429 -0.374 20 0 FBADRM CS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000575178083 484007556 /nfs/dbraw/zinc/00/75/56/484007556.db2.gz IGJYWBOIKUAMRY-UHFFFAOYSA-N -1 0 363.417 -0.518 20 0 FBADRM O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000575179286 484007802 /nfs/dbraw/zinc/00/78/02/484007802.db2.gz PZTNWDUTQUCHIW-UHFFFAOYSA-N -1 0 357.334 -0.784 20 0 FBADRM O=C([O-])c1cnc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cn1 ZINC000575180330 484007733 /nfs/dbraw/zinc/00/77/33/484007733.db2.gz OITVMVDXSLHTEM-JTQLQIEISA-N -1 0 372.403 -0.607 20 0 FBADRM O=C([O-])c1cnc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cn1 ZINC000575180331 484010377 /nfs/dbraw/zinc/01/03/77/484010377.db2.gz OITVMVDXSLHTEM-SNVBAGLBSA-N -1 0 372.403 -0.607 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cn1 ZINC000575181112 484010153 /nfs/dbraw/zinc/01/01/53/484010153.db2.gz PRRYDFLBCBEFNC-LLVKDONJSA-N -1 0 358.420 -0.198 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cn1 ZINC000575181113 484010705 /nfs/dbraw/zinc/01/07/05/484010705.db2.gz PRRYDFLBCBEFNC-NSHDSACASA-N -1 0 358.420 -0.198 20 0 FBADRM O=C([O-])C(=O)N1CCN(CC(=O)Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000575185334 484009829 /nfs/dbraw/zinc/00/98/29/484009829.db2.gz VWLXUALFNYXJHQ-UHFFFAOYSA-N -1 0 374.397 -0.019 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(F)cc1C(N)=O ZINC000575187402 484009498 /nfs/dbraw/zinc/00/94/98/484009498.db2.gz LUCRELLOPBSVOW-UHFFFAOYSA-N -1 0 367.424 -0.052 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2nc3c(s2)CCC3)CCS1(=O)=O ZINC000575245403 484012065 /nfs/dbraw/zinc/01/20/65/484012065.db2.gz ZWZRDLKGCCQCOM-SECBINFHSA-N -1 0 373.412 -0.720 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2nc3c(s2)CCC3)CCS1(=O)=O ZINC000575245404 484011457 /nfs/dbraw/zinc/01/14/57/484011457.db2.gz ZWZRDLKGCCQCOM-VIFPVBQESA-N -1 0 373.412 -0.720 20 0 FBADRM COC[C@@](C)(NS(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000575293980 483975491 /nfs/dbraw/zinc/97/54/91/483975491.db2.gz MJQMKNPVBAOKQJ-GFCCVEGCSA-N -1 0 351.402 -0.142 20 0 FBADRM COC[C@](C)(NS(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000575293989 483975055 /nfs/dbraw/zinc/97/50/55/483975055.db2.gz MJQMKNPVBAOKQJ-LBPRGKRZSA-N -1 0 351.402 -0.142 20 0 FBADRM COc1cc(S(=O)(=O)NCCNS(C)(=O)=O)ccc1C(=O)[O-] ZINC000575398369 484107285 /nfs/dbraw/zinc/10/72/85/484107285.db2.gz JHXLYRSOIXRSGA-UHFFFAOYSA-N -1 0 352.390 -0.779 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NC2(C)CCC2)n1 ZINC000575430023 484017694 /nfs/dbraw/zinc/01/76/94/484017694.db2.gz LWPHJRZIPBFUGY-UHFFFAOYSA-N -1 0 351.454 -0.191 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)s1 ZINC000575622447 484020900 /nfs/dbraw/zinc/02/09/00/484020900.db2.gz GKOQUHRQCXIDQQ-UHFFFAOYSA-N -1 0 360.417 -0.376 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)CCCS(C)(=O)=O)C1 ZINC000575742640 484023313 /nfs/dbraw/zinc/02/33/13/484023313.db2.gz KISYQWLADPZHBU-GFCCVEGCSA-N -1 0 357.450 -0.436 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)CCCS(C)(=O)=O)C1 ZINC000575742641 484022739 /nfs/dbraw/zinc/02/27/39/484022739.db2.gz KISYQWLADPZHBU-LBPRGKRZSA-N -1 0 357.450 -0.436 20 0 FBADRM CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000575746038 484022559 /nfs/dbraw/zinc/02/25/59/484022559.db2.gz SODBFTZPSRFOKT-MRVPVSSYSA-N -1 0 351.406 -0.727 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000575746039 484022207 /nfs/dbraw/zinc/02/22/07/484022207.db2.gz SODBFTZPSRFOKT-QMMMGPOBSA-N -1 0 351.406 -0.727 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)C[C@@H]1C(=O)[O-] ZINC000575748982 484022915 /nfs/dbraw/zinc/02/29/15/484022915.db2.gz KJCUUKROTDXMQW-BWACUDIHSA-N -1 0 351.403 -0.316 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)C[C@@H]1C(=O)[O-] ZINC000575748983 484023129 /nfs/dbraw/zinc/02/31/29/484023129.db2.gz KJCUUKROTDXMQW-PEBVRCNWSA-N -1 0 351.403 -0.316 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)C[C@H]1C(=O)[O-] ZINC000575748984 484022652 /nfs/dbraw/zinc/02/26/52/484022652.db2.gz KJCUUKROTDXMQW-PSTGCABASA-N -1 0 351.403 -0.316 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)C[C@H]1C(=O)[O-] ZINC000575748985 484022289 /nfs/dbraw/zinc/02/22/89/484022289.db2.gz KJCUUKROTDXMQW-QFSBIZTOSA-N -1 0 351.403 -0.316 20 0 FBADRM O=C([O-])c1ccc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000575749291 484022564 /nfs/dbraw/zinc/02/25/64/484022564.db2.gz YRYYVJJQRLZUAX-GFCCVEGCSA-N -1 0 354.384 -0.192 20 0 FBADRM O=C([O-])c1ccc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000575749292 484023223 /nfs/dbraw/zinc/02/32/23/484023223.db2.gz YRYYVJJQRLZUAX-LBPRGKRZSA-N -1 0 354.384 -0.192 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000575791499 484024913 /nfs/dbraw/zinc/02/49/13/484024913.db2.gz SFGPWHSGSOHXON-UHFFFAOYSA-N -1 0 356.278 -0.094 20 0 FBADRM NC(=O)N[C@H](CC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000575795831 484025323 /nfs/dbraw/zinc/02/53/23/484025323.db2.gz KDQAWHUPHHVBMF-NEPJUHHUSA-N -1 0 369.399 -0.504 20 0 FBADRM NC(=O)N[C@@H](CC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000575795832 484025137 /nfs/dbraw/zinc/02/51/37/484025137.db2.gz KDQAWHUPHHVBMF-NWDGAFQWSA-N -1 0 369.399 -0.504 20 0 FBADRM NC(=O)N[C@@H](CC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000575795833 484025053 /nfs/dbraw/zinc/02/50/53/484025053.db2.gz KDQAWHUPHHVBMF-RYUDHWBXSA-N -1 0 369.399 -0.504 20 0 FBADRM NC(=O)N[C@H](CC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000575795834 484024441 /nfs/dbraw/zinc/02/44/41/484024441.db2.gz KDQAWHUPHHVBMF-VXGBXAGGSA-N -1 0 369.399 -0.504 20 0 FBADRM CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000575800585 484027084 /nfs/dbraw/zinc/02/70/84/484027084.db2.gz SMNXBUGZVDELFP-MRVPVSSYSA-N -1 0 352.390 -0.320 20 0 FBADRM CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000575800586 484026265 /nfs/dbraw/zinc/02/62/65/484026265.db2.gz SMNXBUGZVDELFP-QMMMGPOBSA-N -1 0 352.390 -0.320 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccccc1CNc1ncncc1C(=O)[O-] ZINC000575804925 484126233 /nfs/dbraw/zinc/12/62/33/484126233.db2.gz FMMUIUQZJSJQEI-UHFFFAOYSA-N -1 0 366.399 0.400 20 0 FBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000575806703 484026839 /nfs/dbraw/zinc/02/68/39/484026839.db2.gz DYKGXRQMMYZLCA-LLVKDONJSA-N -1 0 351.402 -0.190 20 0 FBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000575806704 484026982 /nfs/dbraw/zinc/02/69/82/484026982.db2.gz DYKGXRQMMYZLCA-NSHDSACASA-N -1 0 351.402 -0.190 20 0 FBADRM CN(C)C(=O)c1cc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)[O-])cn1C ZINC000575806722 484027134 /nfs/dbraw/zinc/02/71/34/484027134.db2.gz IYUSDUKRXCMKPX-CMPLNLGQSA-N -1 0 373.431 -0.115 20 0 FBADRM CN(C)C(=O)c1cc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)[O-])cn1C ZINC000575806727 484026628 /nfs/dbraw/zinc/02/66/28/484026628.db2.gz IYUSDUKRXCMKPX-JQWIXIFHSA-N -1 0 373.431 -0.115 20 0 FBADRM CN(C)C(=O)c1cc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)[O-])cn1C ZINC000575806728 484026834 /nfs/dbraw/zinc/02/68/34/484026834.db2.gz IYUSDUKRXCMKPX-PWSUYJOCSA-N -1 0 373.431 -0.115 20 0 FBADRM CN(C)C(=O)c1cc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)[O-])cn1C ZINC000575806730 484026535 /nfs/dbraw/zinc/02/65/35/484026535.db2.gz IYUSDUKRXCMKPX-ZYHUDNBSSA-N -1 0 373.431 -0.115 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CCn2ncn(C)c2=O)ccc1[O-] ZINC000575815501 484026951 /nfs/dbraw/zinc/02/69/51/484026951.db2.gz GZNOOWXZMOQLEU-UHFFFAOYSA-N -1 0 355.376 -0.776 20 0 FBADRM O=C([O-])CNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000575825345 484028052 /nfs/dbraw/zinc/02/80/52/484028052.db2.gz IQGYGRVKDBRNQL-UHFFFAOYSA-N -1 0 358.372 -0.713 20 0 FBADRM CO[C@H](C)c1nc(=NC(=O)CNS(=O)(=O)c2cccnc2)s[n-]1 ZINC000575844232 484027606 /nfs/dbraw/zinc/02/76/06/484027606.db2.gz SIZLNFMHXRJTPE-MRVPVSSYSA-N -1 0 357.417 -0.021 20 0 FBADRM CO[C@@H](C)c1nc(=NC(=O)CNS(=O)(=O)c2cccnc2)s[n-]1 ZINC000575844233 484028121 /nfs/dbraw/zinc/02/81/21/484028121.db2.gz SIZLNFMHXRJTPE-QMMMGPOBSA-N -1 0 357.417 -0.021 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC(C)(C)CC(=O)[O-])cnc21 ZINC000575854319 484030016 /nfs/dbraw/zinc/03/00/16/484030016.db2.gz HDSPAEUBZDDAQS-UHFFFAOYSA-N -1 0 356.360 -0.434 20 0 FBADRM CC[C@@H](NC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000575856770 484030039 /nfs/dbraw/zinc/03/00/39/484030039.db2.gz SBJHIIFITMFQRE-NEPJUHHUSA-N -1 0 361.354 -0.104 20 0 FBADRM CC[C@@H](NC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000575856771 484030482 /nfs/dbraw/zinc/03/04/82/484030482.db2.gz SBJHIIFITMFQRE-VXGBXAGGSA-N -1 0 361.354 -0.104 20 0 FBADRM Cn1ncc(Cl)c1S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000575858045 484030224 /nfs/dbraw/zinc/03/02/24/484030224.db2.gz OXBXZSUTNMGSKZ-SSDOTTSWSA-N -1 0 350.784 -0.715 20 0 FBADRM Cn1ncc(Cl)c1S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000575858046 484030319 /nfs/dbraw/zinc/03/03/19/484030319.db2.gz OXBXZSUTNMGSKZ-ZETCQYMHSA-N -1 0 350.784 -0.715 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NCCS(=O)(=O)NCC2CCC2)c[nH]1 ZINC000575865162 484029874 /nfs/dbraw/zinc/02/98/74/484029874.db2.gz PJTRHSOMVUUIOG-UHFFFAOYSA-N -1 0 365.433 -0.289 20 0 FBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000575868157 484262561 /nfs/dbraw/zinc/26/25/61/484262561.db2.gz SSYBZJAFIDOBIP-OLZOCXBDSA-N -1 0 350.375 0.037 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3CCCC[C@@H]32)CCS1(=O)=O ZINC000575868577 484029728 /nfs/dbraw/zinc/02/97/28/484029728.db2.gz CLSZJNNQWJUTID-SDDRHHMPSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CCCC[C@@H]32)CCS1(=O)=O ZINC000575868578 484029897 /nfs/dbraw/zinc/02/98/97/484029897.db2.gz CLSZJNNQWJUTID-SRVKXCTJSA-N -1 0 358.416 -0.512 20 0 FBADRM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)NCCNS(C)(=O)=O)c1 ZINC000575872922 484031222 /nfs/dbraw/zinc/03/12/22/484031222.db2.gz CHKFVFOMBBCTRJ-UHFFFAOYSA-N -1 0 354.381 -0.340 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000575906550 484032935 /nfs/dbraw/zinc/03/29/35/484032935.db2.gz GFWOMLHYKUVMKT-JTQLQIEISA-N -1 0 361.424 -0.828 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000575906551 484033545 /nfs/dbraw/zinc/03/35/45/484033545.db2.gz GFWOMLHYKUVMKT-SNVBAGLBSA-N -1 0 361.424 -0.828 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCN(C(=O)N(C)C)CC1)C(=O)[O-] ZINC000575916379 484033614 /nfs/dbraw/zinc/03/36/14/484033614.db2.gz FEETXVHMENGWGE-UHFFFAOYSA-N -1 0 356.423 -0.181 20 0 FBADRM CN1C(=O)C[C@@H](NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1=O ZINC000575934644 484034733 /nfs/dbraw/zinc/03/47/33/484034733.db2.gz SLGFZDKJMILBKN-SECBINFHSA-N -1 0 361.326 -0.883 20 0 FBADRM CN1C(=O)C[C@H](NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1=O ZINC000575934645 484035144 /nfs/dbraw/zinc/03/51/44/484035144.db2.gz SLGFZDKJMILBKN-VIFPVBQESA-N -1 0 361.326 -0.883 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC(C(=O)N(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC000575988664 484038016 /nfs/dbraw/zinc/03/80/16/484038016.db2.gz VAVBPGZNYXTLPP-AAEUAGOBSA-N -1 0 353.419 -0.118 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC(C(=O)N(C)C)CC2)C[C@H]1C(=O)[O-] ZINC000575988665 484036922 /nfs/dbraw/zinc/03/69/22/484036922.db2.gz VAVBPGZNYXTLPP-DGCLKSJQSA-N -1 0 353.419 -0.118 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC(C(=O)N(C)C)CC2)C[C@H]1C(=O)[O-] ZINC000575988666 484036546 /nfs/dbraw/zinc/03/65/46/484036546.db2.gz VAVBPGZNYXTLPP-WCQYABFASA-N -1 0 353.419 -0.118 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC(C(=O)N(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC000575988667 484037755 /nfs/dbraw/zinc/03/77/55/484037755.db2.gz VAVBPGZNYXTLPP-YPMHNXCESA-N -1 0 353.419 -0.118 20 0 FBADRM O=C(Cn1ccnc1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000576021337 484039446 /nfs/dbraw/zinc/03/94/46/484039446.db2.gz YRYSZILQHCYAND-UHFFFAOYSA-N -1 0 369.369 -0.140 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cnccc2-n2ccnn2)cn1 ZINC000576023399 484039009 /nfs/dbraw/zinc/03/90/09/484039009.db2.gz OXOWRKHNPBLXSQ-UHFFFAOYSA-N -1 0 363.359 -0.167 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC000576035629 484041079 /nfs/dbraw/zinc/04/10/79/484041079.db2.gz SLASRVYJAOTDAJ-LLVKDONJSA-N -1 0 356.466 -0.282 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000576035630 484041065 /nfs/dbraw/zinc/04/10/65/484041065.db2.gz SLASRVYJAOTDAJ-NSHDSACASA-N -1 0 356.466 -0.282 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)NC1(C(=O)[O-])CCSCC1 ZINC000576036351 484041289 /nfs/dbraw/zinc/04/12/89/484041289.db2.gz QJAKLPCBRHRVSY-UHFFFAOYSA-N -1 0 374.506 -0.462 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)NCCCC(=O)[O-])cc1 ZINC000576040718 484041274 /nfs/dbraw/zinc/04/12/74/484041274.db2.gz PYXKPVGJBBRFTD-UHFFFAOYSA-N -1 0 371.415 -0.466 20 0 FBADRM C[C@@H]1CN(CCO)CCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000576053585 484042087 /nfs/dbraw/zinc/04/20/87/484042087.db2.gz VEICCLYJRVQCOK-SECBINFHSA-N -1 0 369.403 -0.877 20 0 FBADRM C[C@H]1CN(CCO)CCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000576053586 484042775 /nfs/dbraw/zinc/04/27/75/484042775.db2.gz VEICCLYJRVQCOK-VIFPVBQESA-N -1 0 369.403 -0.877 20 0 FBADRM COC[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000576059375 484042999 /nfs/dbraw/zinc/04/29/99/484042999.db2.gz LSSHQILJBPLJKV-GFCCVEGCSA-N -1 0 359.404 -0.328 20 0 FBADRM COC[C@H](NC(=O)NCCNS(=O)(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000576059376 484042201 /nfs/dbraw/zinc/04/22/01/484042201.db2.gz LSSHQILJBPLJKV-LBPRGKRZSA-N -1 0 359.404 -0.328 20 0 FBADRM COC(=O)c1cncc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)c1 ZINC000576093797 484044212 /nfs/dbraw/zinc/04/42/12/484044212.db2.gz IOITWZHNPGXQTQ-UHFFFAOYSA-N -1 0 353.360 -0.259 20 0 FBADRM CN(C)C(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1 ZINC000576099516 484044481 /nfs/dbraw/zinc/04/44/81/484044481.db2.gz YVDYLSLNOCPADW-CHWSQXEVSA-N -1 0 368.434 -0.038 20 0 FBADRM CN(C)C(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1 ZINC000576099517 484044403 /nfs/dbraw/zinc/04/44/03/484044403.db2.gz YVDYLSLNOCPADW-OLZOCXBDSA-N -1 0 368.434 -0.038 20 0 FBADRM CN(C)C(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC000576099518 484044386 /nfs/dbraw/zinc/04/43/86/484044386.db2.gz YVDYLSLNOCPADW-QWHCGFSZSA-N -1 0 368.434 -0.038 20 0 FBADRM CN(C)C(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC000576099519 484044308 /nfs/dbraw/zinc/04/43/08/484044308.db2.gz YVDYLSLNOCPADW-STQMWFEESA-N -1 0 368.434 -0.038 20 0 FBADRM C[C@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000576104455 484044733 /nfs/dbraw/zinc/04/47/33/484044733.db2.gz KIEFZCGSKUPABU-SSDOTTSWSA-N -1 0 351.406 -0.306 20 0 FBADRM C[C@@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000576104456 484044540 /nfs/dbraw/zinc/04/45/40/484044540.db2.gz KIEFZCGSKUPABU-ZETCQYMHSA-N -1 0 351.406 -0.306 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000576104590 484044682 /nfs/dbraw/zinc/04/46/82/484044682.db2.gz SFNCXZXOGDCULA-UHFFFAOYSA-N -1 0 372.465 -0.837 20 0 FBADRM C[C@H](C(=O)[O-])N(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CC1 ZINC000576107257 484044042 /nfs/dbraw/zinc/04/40/42/484044042.db2.gz GUQAUEPPIOOERV-CKYFFXLPSA-N -1 0 358.416 -0.514 20 0 FBADRM C[C@H](C(=O)[O-])N(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CC1 ZINC000576107258 484044274 /nfs/dbraw/zinc/04/42/74/484044274.db2.gz GUQAUEPPIOOERV-FOGDFJRCSA-N -1 0 358.416 -0.514 20 0 FBADRM C[C@H](C(=O)[O-])N(C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CC1 ZINC000576107259 484045021 /nfs/dbraw/zinc/04/50/21/484045021.db2.gz GUQAUEPPIOOERV-JFGNBEQYSA-N -1 0 358.416 -0.514 20 0 FBADRM C[C@H](C(=O)[O-])N(C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CC1 ZINC000576107260 484044839 /nfs/dbraw/zinc/04/48/39/484044839.db2.gz GUQAUEPPIOOERV-SCVCMEIPSA-N -1 0 358.416 -0.514 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c[nH]cn2)cc1 ZINC000576122584 484044553 /nfs/dbraw/zinc/04/45/53/484044553.db2.gz GPKWGEIYFJEPGV-UHFFFAOYSA-N -1 0 360.417 -0.177 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H](N3CCCC3=O)C2)C1 ZINC000576123574 484044521 /nfs/dbraw/zinc/04/45/21/484044521.db2.gz QSQVQCVOCSMLRH-JHJVBQTASA-N -1 0 351.403 -0.031 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H](N3CCCC3=O)C2)C1 ZINC000576123575 484044290 /nfs/dbraw/zinc/04/42/90/484044290.db2.gz QSQVQCVOCSMLRH-UPJWGTAASA-N -1 0 351.403 -0.031 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H](N3CCCC3=O)C2)C1 ZINC000576123576 484045575 /nfs/dbraw/zinc/04/55/75/484045575.db2.gz QSQVQCVOCSMLRH-XQQFMLRXSA-N -1 0 351.403 -0.031 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H](N3CCCC3=O)C2)C1 ZINC000576123577 484045983 /nfs/dbraw/zinc/04/59/83/484045983.db2.gz QSQVQCVOCSMLRH-YNEHKIRRSA-N -1 0 351.403 -0.031 20 0 FBADRM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000576155981 484045952 /nfs/dbraw/zinc/04/59/52/484045952.db2.gz QJMVQPWRPADUSJ-SECBINFHSA-N -1 0 353.422 -0.589 20 0 FBADRM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000576155982 484045583 /nfs/dbraw/zinc/04/55/83/484045583.db2.gz QJMVQPWRPADUSJ-VIFPVBQESA-N -1 0 353.422 -0.589 20 0 FBADRM CCN([C@H](C)CS(=O)(=O)CC)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000576156020 484045697 /nfs/dbraw/zinc/04/56/97/484045697.db2.gz SHDOWQWMORJJHR-MRVPVSSYSA-N -1 0 353.422 -0.058 20 0 FBADRM CCN([C@@H](C)CS(=O)(=O)CC)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000576156021 484045603 /nfs/dbraw/zinc/04/56/03/484045603.db2.gz SHDOWQWMORJJHR-QMMMGPOBSA-N -1 0 353.422 -0.058 20 0 FBADRM O=C([O-])[C@H](O)CNS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000576173175 484048341 /nfs/dbraw/zinc/04/83/41/484048341.db2.gz HWXCRAXUQZOZDG-BXKDBHETSA-N -1 0 363.363 -0.035 20 0 FBADRM O=C([O-])[C@H](O)CNS(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000576173176 484047447 /nfs/dbraw/zinc/04/74/47/484047447.db2.gz HWXCRAXUQZOZDG-JOYOIKCWSA-N -1 0 363.363 -0.035 20 0 FBADRM C[C@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])S(C)(=O)=O ZINC000576204834 484049311 /nfs/dbraw/zinc/04/93/11/484049311.db2.gz UDRRORZXCHZVKQ-SECBINFHSA-N -1 0 364.445 -0.195 20 0 FBADRM C[C@@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])S(C)(=O)=O ZINC000576204835 484050341 /nfs/dbraw/zinc/05/03/41/484050341.db2.gz UDRRORZXCHZVKQ-VIFPVBQESA-N -1 0 364.445 -0.195 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000576215479 484050405 /nfs/dbraw/zinc/05/04/05/484050405.db2.gz TYRWIEVOBNFUQH-GFCCVEGCSA-N -1 0 353.466 -0.083 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000576215480 484050354 /nfs/dbraw/zinc/05/03/54/484050354.db2.gz TYRWIEVOBNFUQH-LBPRGKRZSA-N -1 0 353.466 -0.083 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cnccn3)CC2)C[C@H]1C(=O)[O-] ZINC000576227020 484050159 /nfs/dbraw/zinc/05/01/59/484050159.db2.gz DQOZJBIYQWHGGZ-CHWSQXEVSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cnccn3)CC2)C[C@@H]1C(=O)[O-] ZINC000576227021 484050147 /nfs/dbraw/zinc/05/01/47/484050147.db2.gz DQOZJBIYQWHGGZ-OLZOCXBDSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cnccn3)CC2)C[C@H]1C(=O)[O-] ZINC000576227022 484049944 /nfs/dbraw/zinc/04/99/44/484049944.db2.gz DQOZJBIYQWHGGZ-QWHCGFSZSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cnccn3)CC2)C[C@@H]1C(=O)[O-] ZINC000576227023 484049366 /nfs/dbraw/zinc/04/93/66/484049366.db2.gz DQOZJBIYQWHGGZ-STQMWFEESA-N -1 0 361.402 -0.306 20 0 FBADRM CC[C@@H](NC(=O)C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1)C(=O)[O-] ZINC000576227535 484049602 /nfs/dbraw/zinc/04/96/02/484049602.db2.gz ZDWODNGRQFTCJK-SECBINFHSA-N -1 0 373.387 -0.015 20 0 FBADRM CN(CCOc1ccccc1F)C(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000576231024 484048995 /nfs/dbraw/zinc/04/89/95/484048995.db2.gz WTJUMPNKLAKPQS-UHFFFAOYSA-N -1 0 367.377 -0.108 20 0 FBADRM CN(C)S(=O)(=O)N(C)CC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000576233307 484051039 /nfs/dbraw/zinc/05/10/39/484051039.db2.gz VOEKITBOGBISGC-UHFFFAOYSA-N -1 0 354.392 -0.146 20 0 FBADRM O=C([O-])CSCC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000576267730 484053891 /nfs/dbraw/zinc/05/38/91/484053891.db2.gz SPLPBCXOSZRCIC-UHFFFAOYSA-N -1 0 367.431 -0.551 20 0 FBADRM CN(C1(C(=O)[O-])CCOCC1)S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000576274053 484053960 /nfs/dbraw/zinc/05/39/60/484053960.db2.gz VRXTWJHGBMLJDP-UHFFFAOYSA-N -1 0 367.387 -0.083 20 0 FBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000576278638 484053215 /nfs/dbraw/zinc/05/32/15/484053215.db2.gz OFFFMZZLUVYVSI-KGLIPLIRSA-N -1 0 353.419 -0.654 20 0 FBADRM CN(CCCNC(=O)CN1CCN(C(=O)C(=O)[O-])CC1)c1ccccc1 ZINC000576283616 484053121 /nfs/dbraw/zinc/05/31/21/484053121.db2.gz WDLLUNUSHCBRRT-UHFFFAOYSA-N -1 0 362.430 -0.142 20 0 FBADRM CCOC[C@@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000576323361 484054661 /nfs/dbraw/zinc/05/46/61/484054661.db2.gz IJDOBSGGHMTTJN-SNVBAGLBSA-N -1 0 352.390 -0.898 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)NC1(C(=O)[O-])CCCCC1 ZINC000576329998 484054751 /nfs/dbraw/zinc/05/47/51/484054751.db2.gz ANMSFQLKILPBJV-UHFFFAOYSA-N -1 0 356.466 -0.025 20 0 FBADRM Cc1c(S(=O)(=O)N2CC[C@@H](N3C[C@H](C(=O)[O-])CC3=O)C2)cnn1C ZINC000576331462 484055937 /nfs/dbraw/zinc/05/59/37/484055937.db2.gz WVFMAESTCDWBTA-GHMZBOCLSA-N -1 0 356.404 -0.575 20 0 FBADRM Cc1c(S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)[O-])CC3=O)C2)cnn1C ZINC000576331463 484055946 /nfs/dbraw/zinc/05/59/46/484055946.db2.gz WVFMAESTCDWBTA-MNOVXSKESA-N -1 0 356.404 -0.575 20 0 FBADRM Cc1c(S(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)cnn1C ZINC000576331464 484055901 /nfs/dbraw/zinc/05/59/01/484055901.db2.gz WVFMAESTCDWBTA-QWRGUYRKSA-N -1 0 356.404 -0.575 20 0 FBADRM Cc1c(S(=O)(=O)N2CC[C@@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)cnn1C ZINC000576331465 484054767 /nfs/dbraw/zinc/05/47/67/484054767.db2.gz WVFMAESTCDWBTA-WDEREUQCSA-N -1 0 356.404 -0.575 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000576337916 484056004 /nfs/dbraw/zinc/05/60/04/484056004.db2.gz LYAJDRQUKCYGGC-JTQLQIEISA-N -1 0 369.399 -0.137 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000576337917 484055846 /nfs/dbraw/zinc/05/58/46/484055846.db2.gz LYAJDRQUKCYGGC-SNVBAGLBSA-N -1 0 369.399 -0.137 20 0 FBADRM CSc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cn1 ZINC000576339050 484057215 /nfs/dbraw/zinc/05/72/15/484057215.db2.gz ASCOCGGUYIZITM-SECBINFHSA-N -1 0 373.412 -0.548 20 0 FBADRM CSc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cn1 ZINC000576339053 484057352 /nfs/dbraw/zinc/05/73/52/484057352.db2.gz ASCOCGGUYIZITM-VIFPVBQESA-N -1 0 373.412 -0.548 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)NCCCC(=O)[O-])c2ccccc2O1 ZINC000576386795 484058439 /nfs/dbraw/zinc/05/84/39/484058439.db2.gz XTDRWKJUGJCPMO-GFCCVEGCSA-N -1 0 350.327 -0.065 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NCCCC(=O)[O-])c2ccccc2O1 ZINC000576386798 484058762 /nfs/dbraw/zinc/05/87/62/484058762.db2.gz XTDRWKJUGJCPMO-LBPRGKRZSA-N -1 0 350.327 -0.065 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000576397248 484058422 /nfs/dbraw/zinc/05/84/22/484058422.db2.gz ZORABCDUDZNZKR-LLVKDONJSA-N -1 0 367.387 -0.259 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000576397250 484058681 /nfs/dbraw/zinc/05/86/81/484058681.db2.gz ZORABCDUDZNZKR-NSHDSACASA-N -1 0 367.387 -0.259 20 0 FBADRM Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H]([C@@H](O)C(=O)[O-])C3)ccc21 ZINC000576402231 484060477 /nfs/dbraw/zinc/06/04/77/484060477.db2.gz ZQBDAUQPGMWECR-NOZJJQNGSA-N -1 0 370.383 -0.022 20 0 FBADRM Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H]([C@H](O)C(=O)[O-])C3)ccc21 ZINC000576402235 484060587 /nfs/dbraw/zinc/06/05/87/484060587.db2.gz ZQBDAUQPGMWECR-RNCFNFMXSA-N -1 0 370.383 -0.022 20 0 FBADRM Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H]([C@@H](O)C(=O)[O-])C3)ccc21 ZINC000576402237 484060119 /nfs/dbraw/zinc/06/01/19/484060119.db2.gz ZQBDAUQPGMWECR-TVQRCGJNSA-N -1 0 370.383 -0.022 20 0 FBADRM Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H]([C@H](O)C(=O)[O-])C3)ccc21 ZINC000576402239 484060078 /nfs/dbraw/zinc/06/00/78/484060078.db2.gz ZQBDAUQPGMWECR-ZANVPECISA-N -1 0 370.383 -0.022 20 0 FBADRM CCS(=O)(=O)NCCCNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000576402693 484060620 /nfs/dbraw/zinc/06/06/20/484060620.db2.gz KWVKJIZRFUXOBS-UHFFFAOYSA-N -1 0 365.433 -0.227 20 0 FBADRM COC1(CS(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])CCCC1 ZINC000576439995 484060958 /nfs/dbraw/zinc/06/09/58/484060958.db2.gz VCVMNSCQTJYPEY-LLVKDONJSA-N -1 0 369.461 -0.151 20 0 FBADRM COC1(CS(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])CCCC1 ZINC000576439998 484061358 /nfs/dbraw/zinc/06/13/58/484061358.db2.gz VCVMNSCQTJYPEY-NSHDSACASA-N -1 0 369.461 -0.151 20 0 FBADRM CCC(CC)(NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000576452276 484063217 /nfs/dbraw/zinc/06/32/17/484063217.db2.gz RXEKZBXVYHIRNW-UHFFFAOYSA-N -1 0 357.454 -0.959 20 0 FBADRM COc1nc(N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)ccc1C(=O)[O-] ZINC000576468765 484458991 /nfs/dbraw/zinc/45/89/91/484458991.db2.gz JAMKNVBXGDFHAH-SNVBAGLBSA-N -1 0 358.420 0.471 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)(F)F)n1 ZINC000576480936 484063185 /nfs/dbraw/zinc/06/31/85/484063185.db2.gz QFEVCAVKKQUQSZ-UHFFFAOYSA-N -1 0 361.396 -0.479 20 0 FBADRM CN(C)C(=O)N1CCN(C(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000576500664 484063744 /nfs/dbraw/zinc/06/37/44/484063744.db2.gz MQMMDKCHGUSHTN-UHFFFAOYSA-N -1 0 362.386 -0.173 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2csnc2C(=O)[O-])CCN1S(C)(=O)=O ZINC000576515423 484064225 /nfs/dbraw/zinc/06/42/25/484064225.db2.gz PGBYUZBQIFWBTL-ZETCQYMHSA-N -1 0 369.446 -0.504 20 0 FBADRM CCC(C)(C)[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000576516471 484064555 /nfs/dbraw/zinc/06/45/55/484064555.db2.gz BPURJQXPODDKFU-JTQLQIEISA-N -1 0 371.481 -0.713 20 0 FBADRM CCC(C)(C)[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000576516477 484063979 /nfs/dbraw/zinc/06/39/79/484063979.db2.gz BPURJQXPODDKFU-SNVBAGLBSA-N -1 0 371.481 -0.713 20 0 FBADRM CCn1c2ccc(NC(=O)CCC(=O)NCC(=O)[O-])nc2n(CC)c1=O ZINC000576517195 484471382 /nfs/dbraw/zinc/47/13/82/484471382.db2.gz FQLXQSGMAYGSRY-UHFFFAOYSA-N -1 0 363.374 0.157 20 0 FBADRM CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cn1 ZINC000576517263 484064101 /nfs/dbraw/zinc/06/41/01/484064101.db2.gz GMTPHZPGWQRDMV-GXSJLCMTSA-N -1 0 351.363 -0.863 20 0 FBADRM CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cn1 ZINC000576517272 484064561 /nfs/dbraw/zinc/06/45/61/484064561.db2.gz GMTPHZPGWQRDMV-KOLCDFICSA-N -1 0 351.363 -0.863 20 0 FBADRM CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cn1 ZINC000576517277 484064674 /nfs/dbraw/zinc/06/46/74/484064674.db2.gz GMTPHZPGWQRDMV-MWLCHTKSSA-N -1 0 351.363 -0.863 20 0 FBADRM CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cn1 ZINC000576517280 484064065 /nfs/dbraw/zinc/06/40/65/484064065.db2.gz GMTPHZPGWQRDMV-ONGXEEELSA-N -1 0 351.363 -0.863 20 0 FBADRM O=C([O-])C(=O)N1CCN(CC(=O)NCc2cnn(-c3ccccc3)c2)CC1 ZINC000576519381 484065352 /nfs/dbraw/zinc/06/53/52/484065352.db2.gz DAZYJJAWGNFEPX-UHFFFAOYSA-N -1 0 371.397 -0.283 20 0 FBADRM CN1CCc2ccc(S(=O)(=O)NCCn3cc(C(=O)[O-])nn3)cc21 ZINC000576535301 484065419 /nfs/dbraw/zinc/06/54/19/484065419.db2.gz RWDIIAIVPAKOLF-UHFFFAOYSA-N -1 0 351.388 -0.053 20 0 FBADRM CC(C)(CC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)C(=O)[O-] ZINC000576546043 484066313 /nfs/dbraw/zinc/06/63/13/484066313.db2.gz JRHWNCLTXHEZFY-UHFFFAOYSA-N -1 0 363.436 -0.792 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@@H](C(=O)[O-])C(F)(F)C1 ZINC000576548904 484066396 /nfs/dbraw/zinc/06/63/96/484066396.db2.gz KXOKHCOWJQBNBQ-JTQLQIEISA-N -1 0 360.379 -0.132 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@H](C(=O)[O-])C(F)(F)C1 ZINC000576548905 484065377 /nfs/dbraw/zinc/06/53/77/484065377.db2.gz KXOKHCOWJQBNBQ-SNVBAGLBSA-N -1 0 360.379 -0.132 20 0 FBADRM Cc1nc(N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)sc1S(N)(=O)=O ZINC000576577035 484067847 /nfs/dbraw/zinc/06/78/47/484067847.db2.gz WXKDVOHTRBALHO-SSDOTTSWSA-N -1 0 358.405 -0.160 20 0 FBADRM Cc1nc(N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)sc1S(N)(=O)=O ZINC000576577036 484067716 /nfs/dbraw/zinc/06/77/16/484067716.db2.gz WXKDVOHTRBALHO-ZETCQYMHSA-N -1 0 358.405 -0.160 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000576578112 484067168 /nfs/dbraw/zinc/06/71/68/484067168.db2.gz ATWNTYULJVDOMH-UHFFFAOYSA-N -1 0 355.294 -0.030 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCCS2(=O)=O)C[C@H]1C(=O)[O-] ZINC000576584458 484067434 /nfs/dbraw/zinc/06/74/34/484067434.db2.gz IFPXNCHZMVKZGS-GRYCIOLGSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCCS2(=O)=O)C[C@H]1C(=O)[O-] ZINC000576584459 484067996 /nfs/dbraw/zinc/06/79/96/484067996.db2.gz IFPXNCHZMVKZGS-IJLUTSLNSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCCS2(=O)=O)C[C@@H]1C(=O)[O-] ZINC000576584460 484067615 /nfs/dbraw/zinc/06/76/15/484067615.db2.gz IFPXNCHZMVKZGS-UTUOFQBUSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCCS2(=O)=O)C[C@@H]1C(=O)[O-] ZINC000576584462 484068263 /nfs/dbraw/zinc/06/82/63/484068263.db2.gz IFPXNCHZMVKZGS-WOPDTQHZSA-N -1 0 360.432 -0.361 20 0 FBADRM CN(CC(=O)[O-])C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000576584598 484066948 /nfs/dbraw/zinc/06/69/48/484066948.db2.gz NPXGLNUDSNYZIZ-UHFFFAOYSA-N -1 0 358.372 -0.331 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2C3CCC2CC3)n1 ZINC000576598744 484069334 /nfs/dbraw/zinc/06/93/34/484069334.db2.gz XLLRVKIIQCDKDA-UHFFFAOYSA-N -1 0 363.465 -0.097 20 0 FBADRM CC[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000576636587 484071298 /nfs/dbraw/zinc/07/12/98/484071298.db2.gz DBAAZIOLEYJNSH-AGIUHOORSA-N -1 0 369.418 -0.691 20 0 FBADRM CC[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000576636588 484071068 /nfs/dbraw/zinc/07/10/68/484071068.db2.gz DBAAZIOLEYJNSH-AVGNSLFASA-N -1 0 369.418 -0.691 20 0 FBADRM CC[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000576636589 484071030 /nfs/dbraw/zinc/07/10/30/484071030.db2.gz DBAAZIOLEYJNSH-UPJWGTAASA-N -1 0 369.418 -0.691 20 0 FBADRM CC[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000576636590 484071775 /nfs/dbraw/zinc/07/17/75/484071775.db2.gz DBAAZIOLEYJNSH-XQQFMLRXSA-N -1 0 369.418 -0.691 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)[C@H](C(=O)[O-])[C@@H](C)O1 ZINC000576636780 484071724 /nfs/dbraw/zinc/07/17/24/484071724.db2.gz JSZJGRSXLQOWHO-BREBYQMCSA-N -1 0 367.387 -0.087 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC000576636781 484070807 /nfs/dbraw/zinc/07/08/07/484070807.db2.gz JSZJGRSXLQOWHO-GBIKHYSHSA-N -1 0 367.387 -0.087 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC000576636782 484070618 /nfs/dbraw/zinc/07/06/18/484070618.db2.gz JSZJGRSXLQOWHO-GIPNMCIBSA-N -1 0 367.387 -0.087 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)[C@H](C(=O)[O-])[C@H](C)O1 ZINC000576636783 484071658 /nfs/dbraw/zinc/07/16/58/484071658.db2.gz JSZJGRSXLQOWHO-NRUUGDAUSA-N -1 0 367.387 -0.087 20 0 FBADRM O=C([O-])C1(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1 ZINC000576640371 484070645 /nfs/dbraw/zinc/07/06/45/484070645.db2.gz JOFFAALUSVTYSF-UHFFFAOYSA-N -1 0 361.402 -0.173 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CC[C@](O)(C(F)F)C3)cc-2c(=O)[n-]1 ZINC000576649323 484071630 /nfs/dbraw/zinc/07/16/30/484071630.db2.gz LHMPSBOPKIVFFT-GFCCVEGCSA-N -1 0 362.314 -0.173 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CC[C@@](O)(C(F)F)C3)cc-2c(=O)[n-]1 ZINC000576649324 484070764 /nfs/dbraw/zinc/07/07/64/484070764.db2.gz LHMPSBOPKIVFFT-LBPRGKRZSA-N -1 0 362.314 -0.173 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NCC(=O)NCC(F)F ZINC000576676972 484073120 /nfs/dbraw/zinc/07/31/20/484073120.db2.gz RIPBPQZRWTYGRI-UHFFFAOYSA-N -1 0 371.312 -0.259 20 0 FBADRM COC[C@@](C)(NC(=O)NCC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000576679432 484072851 /nfs/dbraw/zinc/07/28/51/484072851.db2.gz XXFRLUZEHUBAET-CYBMUJFWSA-N -1 0 351.425 -0.553 20 0 FBADRM COC[C@](C)(NC(=O)NCC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000576679433 484073316 /nfs/dbraw/zinc/07/33/16/484073316.db2.gz XXFRLUZEHUBAET-ZDUSSCGKSA-N -1 0 351.425 -0.553 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC000576689332 484072955 /nfs/dbraw/zinc/07/29/55/484072955.db2.gz NGJOFYHSADTXEF-MXWKQRLJSA-N -1 0 350.393 -0.567 20 0 FBADRM CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)NCCCC(=O)[O-])cc1 ZINC000576703915 484074169 /nfs/dbraw/zinc/07/41/69/484074169.db2.gz WFAMCFMZXWLMBY-UHFFFAOYSA-N -1 0 371.415 -0.418 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N=c2nc([C@@H](C)OC)[n-]s2)CC1 ZINC000576735978 484075992 /nfs/dbraw/zinc/07/59/92/484075992.db2.gz IQTXBIJOHAOBOU-SECBINFHSA-N -1 0 356.452 -0.001 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N=c2nc([C@H](C)OC)[n-]s2)CC1 ZINC000576735986 484077184 /nfs/dbraw/zinc/07/71/84/484077184.db2.gz IQTXBIJOHAOBOU-VIFPVBQESA-N -1 0 356.452 -0.001 20 0 FBADRM O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000576749177 484076413 /nfs/dbraw/zinc/07/64/13/484076413.db2.gz OKIGARLQTVCWAU-XYPYZODXSA-N -1 0 362.429 -0.253 20 0 FBADRM O=C([O-])C(=O)N1CCN(CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000576759219 484076248 /nfs/dbraw/zinc/07/62/48/484076248.db2.gz VIGGNHLBOYKBKA-GFCCVEGCSA-N -1 0 363.370 -0.829 20 0 FBADRM O=C([O-])C(=O)N1CCN(CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000576759220 484077069 /nfs/dbraw/zinc/07/70/69/484077069.db2.gz VIGGNHLBOYKBKA-LBPRGKRZSA-N -1 0 363.370 -0.829 20 0 FBADRM CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](COC)C(=O)[O-] ZINC000576761555 484076052 /nfs/dbraw/zinc/07/60/52/484076052.db2.gz DVBCJVGNNLMSEN-SECBINFHSA-N -1 0 366.417 -0.637 20 0 FBADRM CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](COC)C(=O)[O-] ZINC000576761559 484075788 /nfs/dbraw/zinc/07/57/88/484075788.db2.gz DVBCJVGNNLMSEN-VIFPVBQESA-N -1 0 366.417 -0.637 20 0 FBADRM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C(=O)[O-])C1 ZINC000576767894 484079013 /nfs/dbraw/zinc/07/90/13/484079013.db2.gz SMGJOFCNTLDPIM-GYSYKLTISA-N -1 0 367.406 -0.246 20 0 FBADRM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C(=O)[O-])C1 ZINC000576767895 484078689 /nfs/dbraw/zinc/07/86/89/484078689.db2.gz SMGJOFCNTLDPIM-JTNHKYCSSA-N -1 0 367.406 -0.246 20 0 FBADRM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C(=O)[O-])C1 ZINC000576767897 484078710 /nfs/dbraw/zinc/07/87/10/484078710.db2.gz SMGJOFCNTLDPIM-MISXGVKJSA-N -1 0 367.406 -0.246 20 0 FBADRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C(=O)[O-])C1 ZINC000576767898 484078639 /nfs/dbraw/zinc/07/86/39/484078639.db2.gz SMGJOFCNTLDPIM-WDMOLILDSA-N -1 0 367.406 -0.246 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]c1ccn(CC(=O)N2CCOCC2)n1 ZINC000576796638 484079785 /nfs/dbraw/zinc/07/97/85/484079785.db2.gz YILKMUUXMHAXIE-UHFFFAOYSA-N -1 0 360.392 -0.953 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N[C@H](Cn2cc(C)cn2)C(=O)[O-])CCC1 ZINC000576798657 484079922 /nfs/dbraw/zinc/07/99/22/484079922.db2.gz AWFIGBOLERQSHF-LLVKDONJSA-N -1 0 359.404 -0.093 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N[C@@H](Cn2cc(C)cn2)C(=O)[O-])CCC1 ZINC000576798658 484080066 /nfs/dbraw/zinc/08/00/66/484080066.db2.gz AWFIGBOLERQSHF-NSHDSACASA-N -1 0 359.404 -0.093 20 0 FBADRM CC[C@@H](NC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000576812190 484079708 /nfs/dbraw/zinc/07/97/08/484079708.db2.gz AYAQVTVSIPPERG-CHWSQXEVSA-N -1 0 369.418 -0.547 20 0 FBADRM CC[C@H](NC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000576812191 484080134 /nfs/dbraw/zinc/08/01/34/484080134.db2.gz AYAQVTVSIPPERG-OLZOCXBDSA-N -1 0 369.418 -0.547 20 0 FBADRM CC[C@@H](NC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000576812192 484080501 /nfs/dbraw/zinc/08/05/01/484080501.db2.gz AYAQVTVSIPPERG-QWHCGFSZSA-N -1 0 369.418 -0.547 20 0 FBADRM CC[C@H](NC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000576812193 484079834 /nfs/dbraw/zinc/07/98/34/484079834.db2.gz AYAQVTVSIPPERG-STQMWFEESA-N -1 0 369.418 -0.547 20 0 FBADRM CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000576819027 484080485 /nfs/dbraw/zinc/08/04/85/484080485.db2.gz AYDMUHZPRJOEQM-SECBINFHSA-N -1 0 366.417 -0.011 20 0 FBADRM CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000576819034 484080729 /nfs/dbraw/zinc/08/07/29/484080729.db2.gz AYDMUHZPRJOEQM-VIFPVBQESA-N -1 0 366.417 -0.011 20 0 FBADRM CNS(=O)(=O)c1ccc2c(c1)N(Cc1cn(CC(=O)[O-])nn1)CC2 ZINC000576829697 484080439 /nfs/dbraw/zinc/08/04/39/484080439.db2.gz DNOZZDQUORHGMU-UHFFFAOYSA-N -1 0 351.388 -0.167 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000576870169 484082220 /nfs/dbraw/zinc/08/22/20/484082220.db2.gz NACNAKVCGHFFLJ-LLVKDONJSA-N -1 0 372.465 -0.789 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000576870170 484081966 /nfs/dbraw/zinc/08/19/66/484081966.db2.gz NACNAKVCGHFFLJ-NSHDSACASA-N -1 0 372.465 -0.789 20 0 FBADRM Cc1cc(N2CCN(C(=O)CSCC(=O)[O-])CC2)n2ncnc2n1 ZINC000576874295 484082469 /nfs/dbraw/zinc/08/24/69/484082469.db2.gz MRKDSBRKZUCLRQ-UHFFFAOYSA-N -1 0 350.404 -0.101 20 0 FBADRM CCOC[C@@H](NS(=O)(=O)N1CCC(C(=O)OCC)CC1)C(=O)[O-] ZINC000576875847 484081817 /nfs/dbraw/zinc/08/18/17/484081817.db2.gz WGOZXFKVYCTVEU-LLVKDONJSA-N -1 0 352.409 -0.414 20 0 FBADRM CCS(=O)(=O)N(C)CC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000576877958 484083862 /nfs/dbraw/zinc/08/38/62/484083862.db2.gz RGESJEQLDQWYFU-JTQLQIEISA-N -1 0 359.408 -0.579 20 0 FBADRM CCS(=O)(=O)N(C)CC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000576877959 484084356 /nfs/dbraw/zinc/08/43/56/484084356.db2.gz RGESJEQLDQWYFU-SNVBAGLBSA-N -1 0 359.408 -0.579 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]c1ccn(CC(=O)N2CCOCC2)n1 ZINC000576879463 484541409 /nfs/dbraw/zinc/54/14/09/484541409.db2.gz NIWWMPRJCRZRHL-UHFFFAOYSA-N -1 0 370.391 -0.579 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(N(C)CCC(=O)[O-])c(S(N)(=O)=O)c1 ZINC000576879619 484084126 /nfs/dbraw/zinc/08/41/26/484084126.db2.gz OOCHHKAHQSLUBL-UHFFFAOYSA-N -1 0 365.433 -0.505 20 0 FBADRM C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000576879709 484084302 /nfs/dbraw/zinc/08/43/02/484084302.db2.gz KXHZXAQNQWXBDD-AEJSXWLSSA-N -1 0 357.475 -0.011 20 0 FBADRM C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000576879712 484084062 /nfs/dbraw/zinc/08/40/62/484084062.db2.gz KXHZXAQNQWXBDD-GUBZILKMSA-N -1 0 357.475 -0.011 20 0 FBADRM C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000576879713 484084191 /nfs/dbraw/zinc/08/41/91/484084191.db2.gz KXHZXAQNQWXBDD-IVZWLZJFSA-N -1 0 357.475 -0.011 20 0 FBADRM C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000576879714 484083935 /nfs/dbraw/zinc/08/39/35/484083935.db2.gz KXHZXAQNQWXBDD-LPEHRKFASA-N -1 0 357.475 -0.011 20 0 FBADRM COC(=O)c1ccc2c(c1)nc(CN1CCN(C(=O)C(=O)[O-])CC1)[nH]c2=O ZINC000576879804 484083573 /nfs/dbraw/zinc/08/35/73/484083573.db2.gz PGEDFZPANBVRPR-UHFFFAOYSA-N -1 0 374.353 -0.149 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(CNC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000576927219 484086041 /nfs/dbraw/zinc/08/60/41/484086041.db2.gz ZHVZUTLBGMBPRO-HNNXBMFYSA-N -1 0 371.415 -0.020 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(CNC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000576927220 484086312 /nfs/dbraw/zinc/08/63/12/484086312.db2.gz ZHVZUTLBGMBPRO-OAHLLOKOSA-N -1 0 371.415 -0.020 20 0 FBADRM Cn1ncc2ccc(CNC(=O)N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)cc21 ZINC000576936695 484086066 /nfs/dbraw/zinc/08/60/66/484086066.db2.gz HVLLDJSFHPROSF-CYBMUJFWSA-N -1 0 366.399 -0.034 20 0 FBADRM Cn1ncc2ccc(CNC(=O)N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)cc21 ZINC000576936696 484085793 /nfs/dbraw/zinc/08/57/93/484085793.db2.gz HVLLDJSFHPROSF-ZDUSSCGKSA-N -1 0 366.399 -0.034 20 0 FBADRM C[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)[C@@H](C)C(=O)[O-] ZINC000576940418 484085617 /nfs/dbraw/zinc/08/56/17/484085617.db2.gz OAJZJEWAGHCCLL-NXEZZACHSA-N -1 0 356.466 -0.313 20 0 FBADRM C[C@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)[C@H](C)C(=O)[O-] ZINC000576940419 484086050 /nfs/dbraw/zinc/08/60/50/484086050.db2.gz OAJZJEWAGHCCLL-UWVGGRQHSA-N -1 0 356.466 -0.313 20 0 FBADRM C[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)[C@H](C)C(=O)[O-] ZINC000576940420 484085498 /nfs/dbraw/zinc/08/54/98/484085498.db2.gz OAJZJEWAGHCCLL-VHSXEESVSA-N -1 0 356.466 -0.313 20 0 FBADRM C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000576940421 484085625 /nfs/dbraw/zinc/08/56/25/484085625.db2.gz OAJZJEWAGHCCLL-ZJUUUORDSA-N -1 0 356.466 -0.313 20 0 FBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1=O ZINC000576943422 484085403 /nfs/dbraw/zinc/08/54/03/484085403.db2.gz HKEZHDXCNFTZDG-NJMOYASZSA-N -1 0 351.403 -0.319 20 0 FBADRM C[C@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1=O ZINC000576943423 484085543 /nfs/dbraw/zinc/08/55/43/484085543.db2.gz HKEZHDXCNFTZDG-NZEXEKPDSA-N -1 0 351.403 -0.319 20 0 FBADRM C[C@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1=O ZINC000576943424 484085044 /nfs/dbraw/zinc/08/50/44/484085044.db2.gz HKEZHDXCNFTZDG-RXGFPQBGSA-N -1 0 351.403 -0.319 20 0 FBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1=O ZINC000576943426 484085147 /nfs/dbraw/zinc/08/51/47/484085147.db2.gz HKEZHDXCNFTZDG-SYLRKERUSA-N -1 0 351.403 -0.319 20 0 FBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000576943869 484086269 /nfs/dbraw/zinc/08/62/69/484086269.db2.gz KNLXPPVYZGETMK-JTQLQIEISA-N -1 0 357.388 -0.233 20 0 FBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000576943870 484085515 /nfs/dbraw/zinc/08/55/15/484085515.db2.gz KNLXPPVYZGETMK-SNVBAGLBSA-N -1 0 357.388 -0.233 20 0 FBADRM CCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000576985822 484089238 /nfs/dbraw/zinc/08/92/38/484089238.db2.gz JIULPRJFZKVOCS-UHFFFAOYSA-N -1 0 366.417 -0.058 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CF)C(=O)[O-])cc1C ZINC000576986562 484088772 /nfs/dbraw/zinc/08/87/72/484088772.db2.gz UKBMVZUHOPPDNP-SECBINFHSA-N -1 0 354.381 -0.396 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CF)C(=O)[O-])cc1C ZINC000576986565 484089586 /nfs/dbraw/zinc/08/95/86/484089586.db2.gz UKBMVZUHOPPDNP-VIFPVBQESA-N -1 0 354.381 -0.396 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC000577004940 484089018 /nfs/dbraw/zinc/08/90/18/484089018.db2.gz OPLRNNDCCZEUFN-PSASIEDQSA-N -1 0 361.376 -0.567 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC000577004942 484089907 /nfs/dbraw/zinc/08/99/07/484089907.db2.gz OPLRNNDCCZEUFN-SCZZXKLOSA-N -1 0 361.376 -0.567 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC000577004945 484089936 /nfs/dbraw/zinc/08/99/36/484089936.db2.gz OPLRNNDCCZEUFN-WCBMZHEXSA-N -1 0 361.376 -0.567 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC000577004946 484089097 /nfs/dbraw/zinc/08/90/97/484089097.db2.gz OPLRNNDCCZEUFN-WPRPVWTQSA-N -1 0 361.376 -0.567 20 0 FBADRM Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H](C(=O)[O-])C(C)C)CC2)no1 ZINC000577066947 484299222 /nfs/dbraw/zinc/29/92/22/484299222.db2.gz SXSWDEOTQSXMJI-AWEZNQCLSA-N -1 0 352.391 0.423 20 0 FBADRM Cc1cc(NC(=O)CN2CCN(C(=O)[C@H](C(=O)[O-])C(C)C)CC2)no1 ZINC000577066948 484298102 /nfs/dbraw/zinc/29/81/02/484298102.db2.gz SXSWDEOTQSXMJI-CQSZACIVSA-N -1 0 352.391 0.423 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CCN1S(C)(=O)=O ZINC000577067363 484096312 /nfs/dbraw/zinc/09/63/12/484096312.db2.gz FUVKGTWVMSKUGT-VIFPVBQESA-N -1 0 365.433 -0.622 20 0 FBADRM Cc1c(F)cc(S(=O)(=O)NCCNS(C)(=O)=O)cc1C(=O)[O-] ZINC000577114058 484099837 /nfs/dbraw/zinc/09/98/37/484099837.db2.gz CLWQGJQAXYLIQZ-UHFFFAOYSA-N -1 0 354.381 -0.340 20 0 FBADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000577117311 484100108 /nfs/dbraw/zinc/10/01/08/484100108.db2.gz RAVCLAKPBVFFNQ-KGLIPLIRSA-N -1 0 353.419 -0.654 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N[C@]2(CC(=O)[O-])CCOC2)c1 ZINC000577172298 484105044 /nfs/dbraw/zinc/10/50/44/484105044.db2.gz OTHSRCBCDMNDOS-AWEZNQCLSA-N -1 0 367.387 -0.211 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCOC2)c1 ZINC000577172299 484104292 /nfs/dbraw/zinc/10/42/92/484104292.db2.gz OTHSRCBCDMNDOS-CQSZACIVSA-N -1 0 367.387 -0.211 20 0 FBADRM C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)C(=O)NCCCC(=O)[O-] ZINC000577178111 484105142 /nfs/dbraw/zinc/10/51/42/484105142.db2.gz FYXDZKIHVGSXHR-LLVKDONJSA-N -1 0 360.370 -0.118 20 0 FBADRM C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)C(=O)NCCCC(=O)[O-] ZINC000577178113 484104776 /nfs/dbraw/zinc/10/47/76/484104776.db2.gz FYXDZKIHVGSXHR-NSHDSACASA-N -1 0 360.370 -0.118 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N(CC(=O)[O-])C2CCOCC2)C1=O ZINC000577179012 484105175 /nfs/dbraw/zinc/10/51/75/484105175.db2.gz PQFNETMQIKSKEC-INIZCTEOSA-N -1 0 353.375 -0.201 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)N(CC(=O)[O-])C2CCOCC2)C1=O ZINC000577179013 484104487 /nfs/dbraw/zinc/10/44/87/484104487.db2.gz PQFNETMQIKSKEC-MRXNPFEDSA-N -1 0 353.375 -0.201 20 0 FBADRM CNC(=O)[C@@H](CNC(=O)C(=O)NCCC(=O)[O-])Cc1ccc(F)cc1C ZINC000577179616 484104555 /nfs/dbraw/zinc/10/45/55/484104555.db2.gz ZCEDXQLXMCWCCU-GFCCVEGCSA-N -1 0 367.377 -0.254 20 0 FBADRM CNC(=O)[C@H](CNC(=O)C(=O)NCCC(=O)[O-])Cc1ccc(F)cc1C ZINC000577179617 484104981 /nfs/dbraw/zinc/10/49/81/484104981.db2.gz ZCEDXQLXMCWCCU-LBPRGKRZSA-N -1 0 367.377 -0.254 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N2CSC[C@H]2C(=O)[O-])CC1 ZINC000577182531 484106941 /nfs/dbraw/zinc/10/69/41/484106941.db2.gz ZAVKIYLYMANFPQ-JTQLQIEISA-N -1 0 372.490 -0.553 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)[O-])CC2)cc1 ZINC000577220881 484108411 /nfs/dbraw/zinc/10/84/11/484108411.db2.gz ZURRIUQSKWXNDF-UHFFFAOYSA-N -1 0 369.399 -0.613 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CCS1(=O)=O ZINC000577274131 484109689 /nfs/dbraw/zinc/10/96/89/484109689.db2.gz GTBBACAUYMRCEG-JRPNMDOOSA-N -1 0 358.416 -0.655 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CCS1(=O)=O ZINC000577274132 484109831 /nfs/dbraw/zinc/10/98/31/484109831.db2.gz GTBBACAUYMRCEG-ZIBATOQPSA-N -1 0 358.416 -0.655 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)C[C@H]1C(=O)[O-] ZINC000577280228 484109863 /nfs/dbraw/zinc/10/98/63/484109863.db2.gz JJHMYHGXZSDZDJ-HZSPNIEDSA-N -1 0 369.462 -0.141 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)C[C@@H]1C(=O)[O-] ZINC000577280229 484109668 /nfs/dbraw/zinc/10/96/68/484109668.db2.gz JJHMYHGXZSDZDJ-MCIONIFRSA-N -1 0 369.462 -0.141 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)C[C@H]1C(=O)[O-] ZINC000577280230 484109779 /nfs/dbraw/zinc/10/97/79/484109779.db2.gz JJHMYHGXZSDZDJ-MGPQQGTHSA-N -1 0 369.462 -0.141 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)C[C@@H]1C(=O)[O-] ZINC000577280231 484109580 /nfs/dbraw/zinc/10/95/80/484109580.db2.gz JJHMYHGXZSDZDJ-RDBSUJKOSA-N -1 0 369.462 -0.141 20 0 FBADRM NS(=O)(=O)CC1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000577280443 484111066 /nfs/dbraw/zinc/11/10/66/484111066.db2.gz SFVKRDMMXJQGQM-UHFFFAOYSA-N -1 0 369.399 -0.150 20 0 FBADRM Cc1nnnn1-c1ccc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1 ZINC000577289693 484111529 /nfs/dbraw/zinc/11/15/29/484111529.db2.gz GHRGBRNHYHPOPR-GFCCVEGCSA-N -1 0 365.371 -0.705 20 0 FBADRM Cc1nnnn1-c1ccc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1 ZINC000577289694 484111119 /nfs/dbraw/zinc/11/11/19/484111119.db2.gz GHRGBRNHYHPOPR-LBPRGKRZSA-N -1 0 365.371 -0.705 20 0 FBADRM CN(C)S(=O)(=O)C[C@@H]([N-]S(=O)(=O)CC1(C)COC1)C(F)(F)F ZINC000577306685 484113369 /nfs/dbraw/zinc/11/33/69/484113369.db2.gz KILNKKXAKLLXOE-MRVPVSSYSA-N -1 0 368.399 -0.235 20 0 FBADRM CN(C)S(=O)(=O)C[C@H]([N-]S(=O)(=O)CC1(C)COC1)C(F)(F)F ZINC000577306686 484113131 /nfs/dbraw/zinc/11/31/31/484113131.db2.gz KILNKKXAKLLXOE-QMMMGPOBSA-N -1 0 368.399 -0.235 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NC[C@@H](O)[C@@H]1CCOC1 ZINC000577310449 484112587 /nfs/dbraw/zinc/11/25/87/484112587.db2.gz VQYVOCIETVOFFN-BXKDBHETSA-N -1 0 364.370 -0.243 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NC[C@H](O)[C@H]1CCOC1 ZINC000577310450 484112549 /nfs/dbraw/zinc/11/25/49/484112549.db2.gz VQYVOCIETVOFFN-CABZTGNLSA-N -1 0 364.370 -0.243 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NC[C@@H](O)[C@H]1CCOC1 ZINC000577310451 484112685 /nfs/dbraw/zinc/11/26/85/484112685.db2.gz VQYVOCIETVOFFN-JOYOIKCWSA-N -1 0 364.370 -0.243 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NC[C@H](O)[C@@H]1CCOC1 ZINC000577310452 484113152 /nfs/dbraw/zinc/11/31/52/484113152.db2.gz VQYVOCIETVOFFN-SKDRFNHKSA-N -1 0 364.370 -0.243 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)F)cc1 ZINC000577322987 484113289 /nfs/dbraw/zinc/11/32/89/484113289.db2.gz OHEHXDNEFNQCBQ-SSDOTTSWSA-N -1 0 372.371 -0.032 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)F)cc1 ZINC000577322988 484112422 /nfs/dbraw/zinc/11/24/22/484112422.db2.gz OHEHXDNEFNQCBQ-ZETCQYMHSA-N -1 0 372.371 -0.032 20 0 FBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)C(=O)[O-] ZINC000577324943 484112280 /nfs/dbraw/zinc/11/22/80/484112280.db2.gz SSMYDVZCWTWGCE-GHMZBOCLSA-N -1 0 371.371 -0.067 20 0 FBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)C(=O)[O-] ZINC000577324944 484113049 /nfs/dbraw/zinc/11/30/49/484113049.db2.gz SSMYDVZCWTWGCE-MNOVXSKESA-N -1 0 371.371 -0.067 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)C(=O)[O-] ZINC000577324945 484112676 /nfs/dbraw/zinc/11/26/76/484112676.db2.gz SSMYDVZCWTWGCE-QWRGUYRKSA-N -1 0 371.371 -0.067 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)C(=O)[O-] ZINC000577324946 484113402 /nfs/dbraw/zinc/11/34/02/484113402.db2.gz SSMYDVZCWTWGCE-WDEREUQCSA-N -1 0 371.371 -0.067 20 0 FBADRM CCOC[C@H](NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2)C(=O)[O-] ZINC000577330938 484113205 /nfs/dbraw/zinc/11/32/05/484113205.db2.gz KJJPSEAIJNNZJE-NSHDSACASA-N -1 0 363.413 -0.216 20 0 FBADRM COCCn1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@]3(CCOC3)C2)cn1 ZINC000577341623 484113416 /nfs/dbraw/zinc/11/34/16/484113416.db2.gz FWAOPQYECCYNSJ-GXTWGEPZSA-N -1 0 359.404 -0.359 20 0 FBADRM COCCn1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@]3(CCOC3)C2)cn1 ZINC000577341624 484113307 /nfs/dbraw/zinc/11/33/07/484113307.db2.gz FWAOPQYECCYNSJ-JSGCOSHPSA-N -1 0 359.404 -0.359 20 0 FBADRM COCCn1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)cn1 ZINC000577341625 484112787 /nfs/dbraw/zinc/11/27/87/484112787.db2.gz FWAOPQYECCYNSJ-OCCSQVGLSA-N -1 0 359.404 -0.359 20 0 FBADRM COCCn1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)cn1 ZINC000577341626 484113214 /nfs/dbraw/zinc/11/32/14/484113214.db2.gz FWAOPQYECCYNSJ-TZMCWYRMSA-N -1 0 359.404 -0.359 20 0 FBADRM CCN(CCCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000577391819 484115736 /nfs/dbraw/zinc/11/57/36/484115736.db2.gz ULTVLXSUOKSXFT-JTQLQIEISA-N -1 0 357.454 -0.959 20 0 FBADRM CCN(CCCNS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])S(C)(=O)=O ZINC000577391821 484115357 /nfs/dbraw/zinc/11/53/57/484115357.db2.gz ULTVLXSUOKSXFT-SNVBAGLBSA-N -1 0 357.454 -0.959 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000577397877 484115625 /nfs/dbraw/zinc/11/56/25/484115625.db2.gz RFUJMEGUGDLYOV-SSDOTTSWSA-N -1 0 355.356 -0.006 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)NC[C@H](CC(=O)[O-])C(F)(F)F ZINC000577397878 484115900 /nfs/dbraw/zinc/11/59/00/484115900.db2.gz RFUJMEGUGDLYOV-ZETCQYMHSA-N -1 0 355.356 -0.006 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CCNS(C)(=O)=O)ccc1[O-] ZINC000577409301 484115137 /nfs/dbraw/zinc/11/51/37/484115137.db2.gz RDXFIHUJKFZKQP-UHFFFAOYSA-N -1 0 351.406 -0.822 20 0 FBADRM COC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000577428858 484115836 /nfs/dbraw/zinc/11/58/36/484115836.db2.gz QSJVWDMAKZQZDA-UHFFFAOYSA-N -1 0 357.344 -0.321 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)cc1 ZINC000577431660 484118098 /nfs/dbraw/zinc/11/80/98/484118098.db2.gz AGOVLMJZNKBTPL-NOZJJQNGSA-N -1 0 360.413 -0.310 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)cc1 ZINC000577431663 484117430 /nfs/dbraw/zinc/11/74/30/484117430.db2.gz AGOVLMJZNKBTPL-ZANVPECISA-N -1 0 360.413 -0.310 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)oc1C ZINC000577451830 484117016 /nfs/dbraw/zinc/11/70/16/484117016.db2.gz FWPOGPGPZMYIBH-UHFFFAOYSA-N -1 0 358.332 -0.357 20 0 FBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000577482157 484119102 /nfs/dbraw/zinc/11/91/02/484119102.db2.gz IQLHJOYSVMDHSD-SECBINFHSA-N -1 0 365.308 -0.110 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000577482161 484119271 /nfs/dbraw/zinc/11/92/71/484119271.db2.gz IQLHJOYSVMDHSD-VIFPVBQESA-N -1 0 365.308 -0.110 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000577489817 484118578 /nfs/dbraw/zinc/11/85/78/484118578.db2.gz ZFKXNZOASOJNPC-GFCCVEGCSA-N -1 0 362.429 -0.162 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000577489818 484118981 /nfs/dbraw/zinc/11/89/81/484118981.db2.gz ZFKXNZOASOJNPC-LBPRGKRZSA-N -1 0 362.429 -0.162 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000577519420 484120766 /nfs/dbraw/zinc/12/07/66/484120766.db2.gz WTCKNDGMBWFOJC-UHFFFAOYSA-N -1 0 369.399 -0.552 20 0 FBADRM COCCNC(=O)CNS(=O)(=O)c1ccc(C)c(OCC(=O)[O-])c1C ZINC000577519558 484120256 /nfs/dbraw/zinc/12/02/56/484120256.db2.gz KNZJLVYLHDTXTP-UHFFFAOYSA-N -1 0 374.415 -0.192 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000577528742 484120994 /nfs/dbraw/zinc/12/09/94/484120994.db2.gz FHXSEROURBEGNB-UHFFFAOYSA-N -1 0 351.425 -0.599 20 0 FBADRM O=C([O-])[C@H](O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000577558670 484122282 /nfs/dbraw/zinc/12/22/82/484122282.db2.gz CBPZLAWSQCNABK-LKFCYVNXSA-N -1 0 370.383 -0.136 20 0 FBADRM O=C([O-])[C@@H](O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000577558671 484121996 /nfs/dbraw/zinc/12/19/96/484121996.db2.gz CBPZLAWSQCNABK-OTYXRUKQSA-N -1 0 370.383 -0.136 20 0 FBADRM O=C([O-])[C@@H](O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000577558672 484122479 /nfs/dbraw/zinc/12/24/79/484122479.db2.gz CBPZLAWSQCNABK-XPTSAGLGSA-N -1 0 370.383 -0.136 20 0 FBADRM O=C([O-])[C@H](O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000577558673 484121731 /nfs/dbraw/zinc/12/17/31/484121731.db2.gz CBPZLAWSQCNABK-YMTOWFKASA-N -1 0 370.383 -0.136 20 0 FBADRM CN(C)S(=O)(=O)N1CCCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000577563850 484122298 /nfs/dbraw/zinc/12/22/98/484122298.db2.gz GURNONZEVJNTGK-UHFFFAOYSA-N -1 0 368.403 -0.803 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)N2CC(=O)NC[C@@H]2C(=O)[O-])c1 ZINC000577572505 484122585 /nfs/dbraw/zinc/12/25/85/484122585.db2.gz FMRFIAHZRWVIKE-LLVKDONJSA-N -1 0 370.387 -0.646 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)N2CC(=O)NC[C@H]2C(=O)[O-])c1 ZINC000577572506 484121471 /nfs/dbraw/zinc/12/14/71/484121471.db2.gz FMRFIAHZRWVIKE-NSHDSACASA-N -1 0 370.387 -0.646 20 0 FBADRM Cc1cc(S(=O)(=O)N[C@@]2(C(N)=O)CCOC2)ccc1OCC(=O)[O-] ZINC000577623754 484125504 /nfs/dbraw/zinc/12/55/04/484125504.db2.gz ZNWOURXAFQNQPL-AWEZNQCLSA-N -1 0 358.372 -0.619 20 0 FBADRM Cc1cc(S(=O)(=O)N[C@]2(C(N)=O)CCOC2)ccc1OCC(=O)[O-] ZINC000577623755 484125986 /nfs/dbraw/zinc/12/59/86/484125986.db2.gz ZNWOURXAFQNQPL-CQSZACIVSA-N -1 0 358.372 -0.619 20 0 FBADRM O=S(=O)([N-]c1nnc[nH]1)c1cccc(S(=O)(=O)N[C@@H]2CC[C@H]2O)c1 ZINC000577626383 484126238 /nfs/dbraw/zinc/12/62/38/484126238.db2.gz CLEZGEWSXOXPJF-GHMZBOCLSA-N -1 0 373.416 -0.593 20 0 FBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)NCCNS(C)(=O)=O ZINC000577629060 484125730 /nfs/dbraw/zinc/12/57/30/484125730.db2.gz DPWWJZKLPMTVAW-UHFFFAOYSA-N -1 0 358.419 -0.718 20 0 FBADRM Cc1nc(C)n(C[C@H]2CN(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])CCO2)n1 ZINC000577629183 484125770 /nfs/dbraw/zinc/12/57/70/484125770.db2.gz MDZDGHYYJKOUAC-CHWSQXEVSA-N -1 0 373.435 -0.610 20 0 FBADRM Cc1nc(C)n(C[C@H]2CN(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])CCO2)n1 ZINC000577629184 484125457 /nfs/dbraw/zinc/12/54/57/484125457.db2.gz MDZDGHYYJKOUAC-OLZOCXBDSA-N -1 0 373.435 -0.610 20 0 FBADRM Cc1nc(C)n(C[C@@H]2CN(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])CCO2)n1 ZINC000577629185 484125760 /nfs/dbraw/zinc/12/57/60/484125760.db2.gz MDZDGHYYJKOUAC-QWHCGFSZSA-N -1 0 373.435 -0.610 20 0 FBADRM Cc1nc(C)n(C[C@@H]2CN(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])CCO2)n1 ZINC000577629186 484126271 /nfs/dbraw/zinc/12/62/71/484126271.db2.gz MDZDGHYYJKOUAC-STQMWFEESA-N -1 0 373.435 -0.610 20 0 FBADRM COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@H](CF)C(=O)[O-] ZINC000577629755 484126506 /nfs/dbraw/zinc/12/65/06/484126506.db2.gz MKRAFXSHSZFWLB-MRVPVSSYSA-N -1 0 355.365 -0.200 20 0 FBADRM COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@@H](CF)C(=O)[O-] ZINC000577629756 484125689 /nfs/dbraw/zinc/12/56/89/484125689.db2.gz MKRAFXSHSZFWLB-QMMMGPOBSA-N -1 0 355.365 -0.200 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)[C@H](C(=O)[O-])[C@@H](C)O1 ZINC000577634086 484125093 /nfs/dbraw/zinc/12/50/93/484125093.db2.gz BNTHYSPRBUHRPH-BREBYQMCSA-N -1 0 367.387 -0.087 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC000577634087 484126211 /nfs/dbraw/zinc/12/62/11/484126211.db2.gz BNTHYSPRBUHRPH-GBIKHYSHSA-N -1 0 367.387 -0.087 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC000577634088 484126045 /nfs/dbraw/zinc/12/60/45/484126045.db2.gz BNTHYSPRBUHRPH-GIPNMCIBSA-N -1 0 367.387 -0.087 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)[C@H](C(=O)[O-])[C@H](C)O1 ZINC000577634089 484126884 /nfs/dbraw/zinc/12/68/84/484126884.db2.gz BNTHYSPRBUHRPH-NRUUGDAUSA-N -1 0 367.387 -0.087 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)cc1 ZINC000577638992 484127439 /nfs/dbraw/zinc/12/74/39/484127439.db2.gz GMXVKOMDXCSSGN-CHWSQXEVSA-N -1 0 356.400 -0.045 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)cc1 ZINC000577638996 484127051 /nfs/dbraw/zinc/12/70/51/484127051.db2.gz GMXVKOMDXCSSGN-OLZOCXBDSA-N -1 0 356.400 -0.045 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)cc1 ZINC000577638997 484126821 /nfs/dbraw/zinc/12/68/21/484126821.db2.gz GMXVKOMDXCSSGN-QWHCGFSZSA-N -1 0 356.400 -0.045 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)cc1 ZINC000577638998 484126975 /nfs/dbraw/zinc/12/69/75/484126975.db2.gz GMXVKOMDXCSSGN-STQMWFEESA-N -1 0 356.400 -0.045 20 0 FBADRM COC[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-] ZINC000577690998 484129862 /nfs/dbraw/zinc/12/98/62/484129862.db2.gz QINZLANUUOROKB-GFCCVEGCSA-N -1 0 359.404 -0.164 20 0 FBADRM COC[C@H](NC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-] ZINC000577690999 484129233 /nfs/dbraw/zinc/12/92/33/484129233.db2.gz QINZLANUUOROKB-LBPRGKRZSA-N -1 0 359.404 -0.164 20 0 FBADRM O=C(CS(=O)(=O)c1nc2c([nH]1)CCC2)N1CCN(C(=O)C2CC2)CC1 ZINC000577695177 484128676 /nfs/dbraw/zinc/12/86/76/484128676.db2.gz DGYYSPGHSOMPKC-UHFFFAOYSA-N -1 0 366.443 -0.247 20 0 FBADRM CCN(CCCNC(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1)S(C)(=O)=O ZINC000577698301 484129850 /nfs/dbraw/zinc/12/98/50/484129850.db2.gz RHGIJNUSUXKPPJ-LLVKDONJSA-N -1 0 361.424 -0.483 20 0 FBADRM CCN(CCCNC(=O)N[C@H](C(=O)[O-])c1ccn(C)n1)S(C)(=O)=O ZINC000577698302 484128840 /nfs/dbraw/zinc/12/88/40/484128840.db2.gz RHGIJNUSUXKPPJ-NSHDSACASA-N -1 0 361.424 -0.483 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)cn1 ZINC000577698808 484129314 /nfs/dbraw/zinc/12/93/14/484129314.db2.gz XBNNPESITPROCW-ABAIWWIYSA-N -1 0 370.383 -0.020 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)cn1 ZINC000577698809 484129466 /nfs/dbraw/zinc/12/94/66/484129466.db2.gz XBNNPESITPROCW-IAQYHMDHSA-N -1 0 370.383 -0.020 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@]3(CCOC3)C2)cn1 ZINC000577698810 484129743 /nfs/dbraw/zinc/12/97/43/484129743.db2.gz XBNNPESITPROCW-NHYWBVRUSA-N -1 0 370.383 -0.020 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@]3(CCOC3)C2)cn1 ZINC000577698811 484129023 /nfs/dbraw/zinc/12/90/23/484129023.db2.gz XBNNPESITPROCW-XHDPSFHLSA-N -1 0 370.383 -0.020 20 0 FBADRM CCS(=O)(=O)N1CCC(NC(=O)N(CCOC)CC(=O)[O-])CC1 ZINC000577716649 484129485 /nfs/dbraw/zinc/12/94/85/484129485.db2.gz WFLZDMQGPSLQKJ-UHFFFAOYSA-N -1 0 351.425 -0.457 20 0 FBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NCCN1CCCS1(=O)=O ZINC000577726664 484130978 /nfs/dbraw/zinc/13/09/78/484130978.db2.gz AWCQXAWODDOGOZ-UHFFFAOYSA-N -1 0 366.417 -0.146 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C(=O)[O-] ZINC000577730437 484131464 /nfs/dbraw/zinc/13/14/64/484131464.db2.gz PUJIYPMVYCTOMC-BJDJZHNGSA-N -1 0 364.420 -0.179 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C(=O)[O-] ZINC000577730440 484131037 /nfs/dbraw/zinc/13/10/37/484131037.db2.gz PUJIYPMVYCTOMC-FIQHERPVSA-N -1 0 364.420 -0.179 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@H](C)O[C@H](C)[C@H]1C(=O)[O-] ZINC000577730441 484131230 /nfs/dbraw/zinc/13/12/30/484131230.db2.gz PUJIYPMVYCTOMC-USZNOCQGSA-N -1 0 364.420 -0.179 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C(=O)[O-] ZINC000577730442 484131299 /nfs/dbraw/zinc/13/12/99/484131299.db2.gz PUJIYPMVYCTOMC-WHOHXGKFSA-N -1 0 364.420 -0.179 20 0 FBADRM CC(=O)NC[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)CCO1 ZINC000577735628 484130372 /nfs/dbraw/zinc/13/03/72/484130372.db2.gz NXEISPQOLDGITD-LLVKDONJSA-N -1 0 372.399 -0.076 20 0 FBADRM CC(=O)NC[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)CCO1 ZINC000577735629 484131096 /nfs/dbraw/zinc/13/10/96/484131096.db2.gz NXEISPQOLDGITD-NSHDSACASA-N -1 0 372.399 -0.076 20 0 FBADRM CS(=O)(=O)c1cccc(CS(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000577749315 484130440 /nfs/dbraw/zinc/13/04/40/484130440.db2.gz XHUBARHDTCQWHN-CYBMUJFWSA-N -1 0 363.413 -0.247 20 0 FBADRM CS(=O)(=O)c1cccc(CS(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000577749316 484130318 /nfs/dbraw/zinc/13/03/18/484130318.db2.gz XHUBARHDTCQWHN-ZDUSSCGKSA-N -1 0 363.413 -0.247 20 0 FBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)Cn3nc4ccccn4c3=O)C2)nn1 ZINC000577756162 484130853 /nfs/dbraw/zinc/13/08/53/484130853.db2.gz SXGDCVDFCXLBFE-LLVKDONJSA-N -1 0 371.357 -0.351 20 0 FBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)Cn3nc4ccccn4c3=O)C2)nn1 ZINC000577756163 484131558 /nfs/dbraw/zinc/13/15/58/484131558.db2.gz SXGDCVDFCXLBFE-NSHDSACASA-N -1 0 371.357 -0.351 20 0 FBADRM COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC000577768741 484133106 /nfs/dbraw/zinc/13/31/06/484133106.db2.gz NZUHMKNPHDMOTM-SNVBAGLBSA-N -1 0 358.372 -0.233 20 0 FBADRM C[C@@H]1CO[C@@H](CO)CN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000577804759 484133736 /nfs/dbraw/zinc/13/37/36/484133736.db2.gz VHPSHMLDAFUJLD-NXEZZACHSA-N -1 0 364.370 -0.149 20 0 FBADRM C[C@H]1CO[C@H](CO)CN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000577804760 484133852 /nfs/dbraw/zinc/13/38/52/484133852.db2.gz VHPSHMLDAFUJLD-UWVGGRQHSA-N -1 0 364.370 -0.149 20 0 FBADRM C[C@H]1CO[C@@H](CO)CN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000577804761 484134055 /nfs/dbraw/zinc/13/40/55/484134055.db2.gz VHPSHMLDAFUJLD-VHSXEESVSA-N -1 0 364.370 -0.149 20 0 FBADRM C[C@@H]1CO[C@H](CO)CN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000577804762 484134159 /nfs/dbraw/zinc/13/41/59/484134159.db2.gz VHPSHMLDAFUJLD-ZJUUUORDSA-N -1 0 364.370 -0.149 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)Cc2ccccc2)C[C@@H](C)O1 ZINC000577820223 484133947 /nfs/dbraw/zinc/13/39/47/484133947.db2.gz VMLYEQGSQDGZCK-GBOPCIDUSA-N -1 0 372.443 -0.013 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)Cc2ccccc2)C[C@H](C)O1 ZINC000577820224 484133936 /nfs/dbraw/zinc/13/39/36/484133936.db2.gz VMLYEQGSQDGZCK-NEBZKDRISA-N -1 0 372.443 -0.013 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)Cc2ccccc2)C[C@H](C)O1 ZINC000577820225 484134563 /nfs/dbraw/zinc/13/45/63/484134563.db2.gz VMLYEQGSQDGZCK-OSRDXIQISA-N -1 0 372.443 -0.013 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)Cc2ccccc2)C[C@@H](C)O1 ZINC000577820226 484134502 /nfs/dbraw/zinc/13/45/02/484134502.db2.gz VMLYEQGSQDGZCK-UXOAXIEHSA-N -1 0 372.443 -0.013 20 0 FBADRM CC[C@](COC)(NC(=O)NCCCN(C)S(=O)(=O)CC)C(=O)[O-] ZINC000577823007 484134377 /nfs/dbraw/zinc/13/43/77/484134377.db2.gz QBFYHWUCPCSSPM-CYBMUJFWSA-N -1 0 353.441 -0.163 20 0 FBADRM CC[C@@](COC)(NC(=O)NCCCN(C)S(=O)(=O)CC)C(=O)[O-] ZINC000577823008 484134598 /nfs/dbraw/zinc/13/45/98/484134598.db2.gz QBFYHWUCPCSSPM-ZDUSSCGKSA-N -1 0 353.441 -0.163 20 0 FBADRM C[C@H](CN(C)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)C(=O)[O-] ZINC000577849971 484136352 /nfs/dbraw/zinc/13/63/52/484136352.db2.gz PDVPOYDXJQXHQG-MRVPVSSYSA-N -1 0 365.371 -0.110 20 0 FBADRM C[C@@H](CN(C)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)C(=O)[O-] ZINC000577849972 484136524 /nfs/dbraw/zinc/13/65/24/484136524.db2.gz PDVPOYDXJQXHQG-QMMMGPOBSA-N -1 0 365.371 -0.110 20 0 FBADRM COc1ccc(S(=O)(=O)NCC(=O)NCCCC(=O)[O-])cc1OC ZINC000577850959 484136344 /nfs/dbraw/zinc/13/63/44/484136344.db2.gz VBUINMYAJMRKPZ-UHFFFAOYSA-N -1 0 360.388 -0.037 20 0 FBADRM O=S(=O)([N-]c1nnc[nH]1)c1ccc(S(=O)(=O)N2CCCO2)cc1 ZINC000577865890 484135946 /nfs/dbraw/zinc/13/59/46/484135946.db2.gz RPANDCLRIVZNIW-UHFFFAOYSA-N -1 0 359.389 -0.069 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000577870545 484138212 /nfs/dbraw/zinc/13/82/12/484138212.db2.gz IZCOOJVZLKZELR-UHFFFAOYSA-N -1 0 368.390 -0.662 20 0 FBADRM CN(C)S(=O)(=O)NCCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000577882329 484138029 /nfs/dbraw/zinc/13/80/29/484138029.db2.gz JFKDGBQRXPQOFZ-UHFFFAOYSA-N -1 0 355.376 -0.844 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2nncn2-c2cccnc2)cn1 ZINC000577895327 484137238 /nfs/dbraw/zinc/13/72/38/484137238.db2.gz DOKJADXMVQKLMN-UHFFFAOYSA-N -1 0 363.359 -0.167 20 0 FBADRM CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000577952435 484150231 /nfs/dbraw/zinc/15/02/31/484150231.db2.gz JXVCOHZHUPZYLY-UHFFFAOYSA-N -1 0 369.399 -0.137 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000577953176 484149816 /nfs/dbraw/zinc/14/98/16/484149816.db2.gz SXGBZWTZJKLUDQ-UHFFFAOYSA-N -1 0 371.415 -0.797 20 0 FBADRM O=C([O-])c1coc(NC2CCN(S(=O)(=O)N3CCOCC3)CC2)n1 ZINC000577955259 484368522 /nfs/dbraw/zinc/36/85/22/484368522.db2.gz KKUOHCUOKXSPMU-UHFFFAOYSA-N -1 0 360.392 -0.174 20 0 FBADRM C[C@@H]1CCCc2nc(S(=O)(=O)NCCN3C[C@H](C(=O)[O-])CC3=O)cn21 ZINC000577997745 484153222 /nfs/dbraw/zinc/15/32/22/484153222.db2.gz ZDSFVDROZCEAJX-GHMZBOCLSA-N -1 0 370.431 -0.008 20 0 FBADRM C[C@@H]1CCCc2nc(S(=O)(=O)NCCN3C[C@@H](C(=O)[O-])CC3=O)cn21 ZINC000577997746 484153320 /nfs/dbraw/zinc/15/33/20/484153320.db2.gz ZDSFVDROZCEAJX-MNOVXSKESA-N -1 0 370.431 -0.008 20 0 FBADRM C[C@H]1CCCc2nc(S(=O)(=O)NCCN3C[C@@H](C(=O)[O-])CC3=O)cn21 ZINC000577997747 484152466 /nfs/dbraw/zinc/15/24/66/484152466.db2.gz ZDSFVDROZCEAJX-QWRGUYRKSA-N -1 0 370.431 -0.008 20 0 FBADRM C[C@H]1CCCc2nc(S(=O)(=O)NCCN3C[C@H](C(=O)[O-])CC3=O)cn21 ZINC000577997748 484152282 /nfs/dbraw/zinc/15/22/82/484152282.db2.gz ZDSFVDROZCEAJX-WDEREUQCSA-N -1 0 370.431 -0.008 20 0 FBADRM CCN(CCC(=O)[O-])S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000578009792 484155117 /nfs/dbraw/zinc/15/51/17/484155117.db2.gz FPFLRYCGELSTHM-UHFFFAOYSA-N -1 0 356.466 -0.216 20 0 FBADRM COc1ccc(CCNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)cc1S(N)(=O)=O ZINC000578012692 484154994 /nfs/dbraw/zinc/15/49/94/484154994.db2.gz UMXMFPMDCIAUKA-NWDGAFQWSA-N -1 0 372.399 -0.367 20 0 FBADRM NS(=O)(=O)N1CCc2ccc(NC(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)cc21 ZINC000578016702 484155342 /nfs/dbraw/zinc/15/53/42/484155342.db2.gz IBGIMNIAOVLAMP-NWDGAFQWSA-N -1 0 355.372 -0.177 20 0 FBADRM CCOC[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000578017377 484154567 /nfs/dbraw/zinc/15/45/67/484154567.db2.gz ZZAKXEDUGYMRBC-LLVKDONJSA-N -1 0 372.465 -0.933 20 0 FBADRM Cn1cc(CCNC(=O)CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)cn1 ZINC000578058118 484187061 /nfs/dbraw/zinc/18/70/61/484187061.db2.gz MEVIHYRWOYVTTI-UHFFFAOYSA-N -1 0 366.399 -0.245 20 0 FBADRM COCc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000578067270 484189941 /nfs/dbraw/zinc/18/99/41/484189941.db2.gz CWNBKSAMBYIBLQ-LLVKDONJSA-N -1 0 363.413 -0.003 20 0 FBADRM COCc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000578067271 484189328 /nfs/dbraw/zinc/18/93/28/484189328.db2.gz CWNBKSAMBYIBLQ-NSHDSACASA-N -1 0 363.413 -0.003 20 0 FBADRM CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000578067300 484189610 /nfs/dbraw/zinc/18/96/10/484189610.db2.gz GFHCEJHPXFSWOY-UHFFFAOYSA-N -1 0 356.466 -0.217 20 0 FBADRM C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C[C@@H]1C(=O)[O-] ZINC000578070396 484189298 /nfs/dbraw/zinc/18/92/98/484189298.db2.gz RGSHSMDYEXQMTM-ILXRZTDVSA-N -1 0 367.446 -0.264 20 0 FBADRM C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C[C@@H]1C(=O)[O-] ZINC000578070397 484189248 /nfs/dbraw/zinc/18/92/48/484189248.db2.gz RGSHSMDYEXQMTM-KFWWJZLASA-N -1 0 367.446 -0.264 20 0 FBADRM C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C[C@H]1C(=O)[O-] ZINC000578070398 484188918 /nfs/dbraw/zinc/18/89/18/484188918.db2.gz RGSHSMDYEXQMTM-QLFBSQMISA-N -1 0 367.446 -0.264 20 0 FBADRM C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C[C@H]1C(=O)[O-] ZINC000578070399 484190129 /nfs/dbraw/zinc/19/01/29/484190129.db2.gz RGSHSMDYEXQMTM-RBSFLKMASA-N -1 0 367.446 -0.264 20 0 FBADRM COC(=O)c1cccc(CC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000578070503 484190035 /nfs/dbraw/zinc/19/00/35/484190035.db2.gz VSKZFGHRFFIUJZ-GFCCVEGCSA-N -1 0 355.368 -0.274 20 0 FBADRM COC(=O)c1cccc(CC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000578070504 484189847 /nfs/dbraw/zinc/18/98/47/484189847.db2.gz VSKZFGHRFFIUJZ-LBPRGKRZSA-N -1 0 355.368 -0.274 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CCC1CCOCC1 ZINC000578076286 484191813 /nfs/dbraw/zinc/19/18/13/484191813.db2.gz KIOILMSWTLPTPH-LLVKDONJSA-N -1 0 355.434 -0.684 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CCC1CCOCC1 ZINC000578076289 484191759 /nfs/dbraw/zinc/19/17/59/484191759.db2.gz KIOILMSWTLPTPH-NSHDSACASA-N -1 0 355.434 -0.684 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)c1 ZINC000578078174 484191251 /nfs/dbraw/zinc/19/12/51/484191251.db2.gz YGPHHJPYHBGOBZ-BXKDBHETSA-N -1 0 359.404 -0.125 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)c1 ZINC000578078175 484191351 /nfs/dbraw/zinc/19/13/51/484191351.db2.gz YGPHHJPYHBGOBZ-CABZTGNLSA-N -1 0 359.404 -0.125 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)c1 ZINC000578078176 484191420 /nfs/dbraw/zinc/19/14/20/484191420.db2.gz YGPHHJPYHBGOBZ-JOYOIKCWSA-N -1 0 359.404 -0.125 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)c1 ZINC000578078177 484191945 /nfs/dbraw/zinc/19/19/45/484191945.db2.gz YGPHHJPYHBGOBZ-SKDRFNHKSA-N -1 0 359.404 -0.125 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N1C[C@H](OC)C[C@@H]1C(=O)[O-] ZINC000578078688 484191426 /nfs/dbraw/zinc/19/14/26/484191426.db2.gz DIIFBYCJUZKNES-GHMZBOCLSA-N -1 0 351.425 -0.459 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-] ZINC000578078689 484191339 /nfs/dbraw/zinc/19/13/39/484191339.db2.gz DIIFBYCJUZKNES-MNOVXSKESA-N -1 0 351.425 -0.459 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N1C[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000578078690 484191400 /nfs/dbraw/zinc/19/14/00/484191400.db2.gz DIIFBYCJUZKNES-QWRGUYRKSA-N -1 0 351.425 -0.459 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N1C[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC000578078691 484190985 /nfs/dbraw/zinc/19/09/85/484190985.db2.gz DIIFBYCJUZKNES-WDEREUQCSA-N -1 0 351.425 -0.459 20 0 FBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2 ZINC000578109547 484193147 /nfs/dbraw/zinc/19/31/47/484193147.db2.gz HYYMPITWGKTBPN-SECBINFHSA-N -1 0 374.371 -0.254 20 0 FBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2 ZINC000578109548 484193424 /nfs/dbraw/zinc/19/34/24/484193424.db2.gz HYYMPITWGKTBPN-VIFPVBQESA-N -1 0 374.371 -0.254 20 0 FBADRM Cc1ccc2c(O)c(C(=O)N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)cnc2n1 ZINC000578132245 484195529 /nfs/dbraw/zinc/19/55/29/484195529.db2.gz USIWKYNOJJCXEG-LLVKDONJSA-N -1 0 365.367 -0.032 20 0 FBADRM Cc1ccc2c(O)c(C(=O)N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)cnc2n1 ZINC000578132246 484195567 /nfs/dbraw/zinc/19/55/67/484195567.db2.gz USIWKYNOJJCXEG-NSHDSACASA-N -1 0 365.367 -0.032 20 0 FBADRM O=C([O-])C(=O)N1CCN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1 ZINC000578135284 484194435 /nfs/dbraw/zinc/19/44/35/484194435.db2.gz YUGAHYPKAZFSRL-UHFFFAOYSA-N -1 0 371.415 -0.207 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)[O-] ZINC000578135611 484194928 /nfs/dbraw/zinc/19/49/28/484194928.db2.gz LEUTULJILNLCCY-ZCFIWIBFSA-N -1 0 351.362 -0.604 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000578190020 484200451 /nfs/dbraw/zinc/20/04/51/484200451.db2.gz PFWUNJSHSVQZPH-SECBINFHSA-N -1 0 352.390 -0.320 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]c1ccc2c(c1)N(S(N)(=O)=O)CC2 ZINC000578196739 484202171 /nfs/dbraw/zinc/20/21/71/484202171.db2.gz RSPSIGGVUAEAHB-UHFFFAOYSA-N -1 0 357.417 -0.213 20 0 FBADRM Cc1nnnn1-c1cc(NC(=O)N2CC(=O)NC[C@@H]2C(=O)[O-])ccc1F ZINC000578208735 484201958 /nfs/dbraw/zinc/20/19/58/484201958.db2.gz ORCQGURKBHATGX-LLVKDONJSA-N -1 0 363.309 -0.473 20 0 FBADRM Cc1nnnn1-c1cc(NC(=O)N2CC(=O)NC[C@H]2C(=O)[O-])ccc1F ZINC000578208736 484202512 /nfs/dbraw/zinc/20/25/12/484202512.db2.gz ORCQGURKBHATGX-NSHDSACASA-N -1 0 363.309 -0.473 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)N2CCC2)C1=O ZINC000578226074 484202994 /nfs/dbraw/zinc/20/29/94/484202994.db2.gz FYQMFROBGKEORN-CHWSQXEVSA-N -1 0 353.400 -0.047 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)N2CCC2)C1=O ZINC000578226075 484203451 /nfs/dbraw/zinc/20/34/51/484203451.db2.gz FYQMFROBGKEORN-OLZOCXBDSA-N -1 0 353.400 -0.047 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)N2CCC2)C1=O ZINC000578226076 484203283 /nfs/dbraw/zinc/20/32/83/484203283.db2.gz FYQMFROBGKEORN-QWHCGFSZSA-N -1 0 353.400 -0.047 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)N2CCC2)C1=O ZINC000578226077 484203260 /nfs/dbraw/zinc/20/32/60/484203260.db2.gz FYQMFROBGKEORN-STQMWFEESA-N -1 0 353.400 -0.047 20 0 FBADRM COC(=O)C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)CCO1 ZINC000578231093 484204214 /nfs/dbraw/zinc/20/42/14/484204214.db2.gz CVWQORYCSOJWJL-NEPJUHHUSA-N -1 0 356.375 -0.510 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CCO1 ZINC000578231094 484204173 /nfs/dbraw/zinc/20/41/73/484204173.db2.gz CVWQORYCSOJWJL-NWDGAFQWSA-N -1 0 356.375 -0.510 20 0 FBADRM COC(=O)C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CCO1 ZINC000578231095 484204304 /nfs/dbraw/zinc/20/43/04/484204304.db2.gz CVWQORYCSOJWJL-RYUDHWBXSA-N -1 0 356.375 -0.510 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)CCO1 ZINC000578231096 484203560 /nfs/dbraw/zinc/20/35/60/484203560.db2.gz CVWQORYCSOJWJL-VXGBXAGGSA-N -1 0 356.375 -0.510 20 0 FBADRM O=S(=O)([N-]c1nnc[nH]1)c1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1 ZINC000578247585 484205639 /nfs/dbraw/zinc/20/56/39/484205639.db2.gz ABTCDHTWYBJUEY-SECBINFHSA-N -1 0 373.416 -0.639 20 0 FBADRM O=C([O-])[C@@]12C[C@@H]1CN(S(=O)(=O)c1ccc3[nH]c(=O)c(=O)[nH]c3c1)C2 ZINC000578289379 484207552 /nfs/dbraw/zinc/20/75/52/484207552.db2.gz RPAQPTBGCMLKPN-NXSYQRQQSA-N -1 0 351.340 -0.688 20 0 FBADRM O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)c1ccc3[nH]c(=O)c(=O)[nH]c3c1)C2 ZINC000578289381 484206684 /nfs/dbraw/zinc/20/66/84/484206684.db2.gz RPAQPTBGCMLKPN-WJWGPLDTSA-N -1 0 351.340 -0.688 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C[C@@H]1C(=O)[O-] ZINC000578323469 484208614 /nfs/dbraw/zinc/20/86/14/484208614.db2.gz JYLGVIFWVOJGAY-MDZLAQPJSA-N -1 0 351.403 -0.317 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C[C@H]1C(=O)[O-] ZINC000578323470 484208774 /nfs/dbraw/zinc/20/87/74/484208774.db2.gz JYLGVIFWVOJGAY-NQBHXWOUSA-N -1 0 351.403 -0.317 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C[C@H]1C(=O)[O-] ZINC000578323471 484208247 /nfs/dbraw/zinc/20/82/47/484208247.db2.gz JYLGVIFWVOJGAY-NTZNESFSSA-N -1 0 351.403 -0.317 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C[C@@H]1C(=O)[O-] ZINC000578323472 484208322 /nfs/dbraw/zinc/20/83/22/484208322.db2.gz JYLGVIFWVOJGAY-WZRBSPASSA-N -1 0 351.403 -0.317 20 0 FBADRM Cc1ccc(S(=O)(=O)NCC(=O)NCCCc2n[nH]c(=O)[n-]2)cc1 ZINC000578327723 484209247 /nfs/dbraw/zinc/20/92/47/484209247.db2.gz IJTHJERSPQCSIL-UHFFFAOYSA-N -1 0 353.404 -0.154 20 0 FBADRM O=C([O-])[C@@]1(NS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CCOC1 ZINC000578339745 484208340 /nfs/dbraw/zinc/20/83/40/484208340.db2.gz OYKYHOQJZZGDFA-CYBMUJFWSA-N -1 0 361.397 -0.462 20 0 FBADRM O=C([O-])[C@]1(NS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CCOC1 ZINC000578339746 484208485 /nfs/dbraw/zinc/20/84/85/484208485.db2.gz OYKYHOQJZZGDFA-ZDUSSCGKSA-N -1 0 361.397 -0.462 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CCN1S(C)(=O)=O ZINC000578353433 484210730 /nfs/dbraw/zinc/21/07/30/484210730.db2.gz CRFSYXKHIYBEHJ-VIFPVBQESA-N -1 0 363.417 -0.566 20 0 FBADRM CCS(=O)(=O)N1CCN(S(=O)(=O)CCCCCC(=O)[O-])CC1 ZINC000578354050 484210411 /nfs/dbraw/zinc/21/04/11/484210411.db2.gz IZRRAFBKAMOQQH-UHFFFAOYSA-N -1 0 356.466 -0.072 20 0 FBADRM CCOc1ccncc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000578365864 484210258 /nfs/dbraw/zinc/21/02/58/484210258.db2.gz FRYQJVSNUNNODI-SECBINFHSA-N -1 0 364.401 -0.647 20 0 FBADRM CCOc1ccncc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000578365865 661735785 /nfs/dbraw/zinc/73/57/85/661735785.db2.gz FRYQJVSNUNNODI-VIFPVBQESA-N -1 0 364.401 -0.647 20 0 FBADRM COCCNC(=O)CNS(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000578366116 661735794 /nfs/dbraw/zinc/73/57/94/661735794.db2.gz NEOAEQCGCQUSGO-UHFFFAOYSA-N -1 0 360.388 -0.501 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@]1(C(N)=O)CCOC1 ZINC000578378523 484210386 /nfs/dbraw/zinc/21/03/86/484210386.db2.gz HNCMMQSIOJHRKM-GMSGAONNSA-N -1 0 362.326 -0.566 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@]1(C(N)=O)CCOC1 ZINC000578378524 484210068 /nfs/dbraw/zinc/21/00/68/484210068.db2.gz HNCMMQSIOJHRKM-OIBJUYFYSA-N -1 0 362.326 -0.566 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@]1(C(N)=O)CCOC1 ZINC000578378525 484210192 /nfs/dbraw/zinc/21/01/92/484210192.db2.gz HNCMMQSIOJHRKM-XCBNKYQSSA-N -1 0 362.326 -0.566 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@]1(C(N)=O)CCOC1 ZINC000578378526 484210662 /nfs/dbraw/zinc/21/06/62/484210662.db2.gz HNCMMQSIOJHRKM-XVKPBYJWSA-N -1 0 362.326 -0.566 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)cn1C ZINC000578379873 484210796 /nfs/dbraw/zinc/21/07/96/484210796.db2.gz JBVJUIIJEQWKHE-BXKDBHETSA-N -1 0 359.404 -0.769 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)cn1C ZINC000578379874 484210109 /nfs/dbraw/zinc/21/01/09/484210109.db2.gz JBVJUIIJEQWKHE-CABZTGNLSA-N -1 0 359.404 -0.769 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)cn1C ZINC000578379875 484210114 /nfs/dbraw/zinc/21/01/14/484210114.db2.gz JBVJUIIJEQWKHE-JOYOIKCWSA-N -1 0 359.404 -0.769 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)cn1C ZINC000578379876 484209931 /nfs/dbraw/zinc/20/99/31/484209931.db2.gz JBVJUIIJEQWKHE-SKDRFNHKSA-N -1 0 359.404 -0.769 20 0 FBADRM CN(C1CCN(S(C)(=O)=O)CC1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000578440115 484214169 /nfs/dbraw/zinc/21/41/69/484214169.db2.gz ISFJWVWCMKOCAQ-LLVKDONJSA-N -1 0 369.465 -0.864 20 0 FBADRM CN(C1CCN(S(C)(=O)=O)CC1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000578440116 484213154 /nfs/dbraw/zinc/21/31/54/484213154.db2.gz ISFJWVWCMKOCAQ-NSHDSACASA-N -1 0 369.465 -0.864 20 0 FBADRM CN1C[C@H](NC(=O)C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CC1=O ZINC000578443315 484214054 /nfs/dbraw/zinc/21/40/54/484214054.db2.gz KZHQGPHNUNISDY-MCIONIFRSA-N -1 0 359.382 -0.340 20 0 FBADRM CN1C[C@@H](NC(=O)C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CC1=O ZINC000578443316 484213613 /nfs/dbraw/zinc/21/36/13/484213613.db2.gz KZHQGPHNUNISDY-MJBXVCDLSA-N -1 0 359.382 -0.340 20 0 FBADRM COC(=O)c1ccccc1N(C)C(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000578445554 484214150 /nfs/dbraw/zinc/21/41/50/484214150.db2.gz IJMZNXDEBYFSGD-UHFFFAOYSA-N -1 0 363.370 -0.335 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](Nc2nccn3nnnc23)C1=O ZINC000578487732 484368088 /nfs/dbraw/zinc/36/80/88/484368088.db2.gz OCKLRIQBHCIJEH-NEPJUHHUSA-N -1 0 353.342 0.358 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](Nc2nccn3nnnc23)C1=O ZINC000578487733 484368395 /nfs/dbraw/zinc/36/83/95/484368395.db2.gz OCKLRIQBHCIJEH-NWDGAFQWSA-N -1 0 353.342 0.358 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](Nc2nccn3nnnc23)C1=O ZINC000578487734 484368797 /nfs/dbraw/zinc/36/87/97/484368797.db2.gz OCKLRIQBHCIJEH-RYUDHWBXSA-N -1 0 353.342 0.358 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](Nc2nccn3nnnc23)C1=O ZINC000578487735 484368382 /nfs/dbraw/zinc/36/83/82/484368382.db2.gz OCKLRIQBHCIJEH-VXGBXAGGSA-N -1 0 353.342 0.358 20 0 FBADRM C[C@@H](CN(C)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000578503231 484214913 /nfs/dbraw/zinc/21/49/13/484214913.db2.gz MVGPFOWWOSWCFV-JTQLQIEISA-N -1 0 356.466 -0.360 20 0 FBADRM C[C@H](CN(C)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000578503232 484215291 /nfs/dbraw/zinc/21/52/91/484215291.db2.gz MVGPFOWWOSWCFV-SNVBAGLBSA-N -1 0 356.466 -0.360 20 0 FBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000578506929 484214786 /nfs/dbraw/zinc/21/47/86/484214786.db2.gz AROISRZEHRTHMI-DDHJBXDOSA-N -1 0 362.448 -0.164 20 0 FBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000578506930 484215095 /nfs/dbraw/zinc/21/50/95/484215095.db2.gz AROISRZEHRTHMI-KKOKHZNYSA-N -1 0 362.448 -0.164 20 0 FBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000578506931 484215504 /nfs/dbraw/zinc/21/55/04/484215504.db2.gz AROISRZEHRTHMI-WISYIIOYSA-N -1 0 362.448 -0.164 20 0 FBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000578506932 484215252 /nfs/dbraw/zinc/21/52/52/484215252.db2.gz AROISRZEHRTHMI-WYUUTHIRSA-N -1 0 362.448 -0.164 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000578507628 484215414 /nfs/dbraw/zinc/21/54/14/484215414.db2.gz YTPYZZIBAJAJLZ-UHFFFAOYSA-N -1 0 350.375 -0.485 20 0 FBADRM O=C([O-])C(=O)N1CCN(CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000578512020 484215519 /nfs/dbraw/zinc/21/55/19/484215519.db2.gz NXNQUMXBEZAJCO-UHFFFAOYSA-N -1 0 353.350 -0.451 20 0 FBADRM CNC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c1OC ZINC000578523415 484216805 /nfs/dbraw/zinc/21/68/05/484216805.db2.gz BQVFXBYIBLMIPC-MRVPVSSYSA-N -1 0 366.779 -0.568 20 0 FBADRM C[C@@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000578532568 484216442 /nfs/dbraw/zinc/21/64/42/484216442.db2.gz SRFFPQFVNGTHHH-SECBINFHSA-N -1 0 357.388 -0.744 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@]2(C(N)=O)CCOC2)cc1CC(=O)[O-] ZINC000578545167 484218791 /nfs/dbraw/zinc/21/87/91/484218791.db2.gz HSQOAEBPRTYJDH-AWEZNQCLSA-N -1 0 358.372 -0.755 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@]2(C(N)=O)CCOC2)cc1CC(=O)[O-] ZINC000578545168 484218281 /nfs/dbraw/zinc/21/82/81/484218281.db2.gz HSQOAEBPRTYJDH-CQSZACIVSA-N -1 0 358.372 -0.755 20 0 FBADRM Cc1nn2cc(S(=O)(=O)NCCc3nc(=O)o[n-]3)cnc2c1Cl ZINC000578556990 484218844 /nfs/dbraw/zinc/21/88/44/484218844.db2.gz ZCAPMPMUFMBPOO-UHFFFAOYSA-N -1 0 358.767 -0.112 20 0 FBADRM COCCN(C)S(=O)(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)[O-] ZINC000578600253 661736357 /nfs/dbraw/zinc/73/63/57/661736357.db2.gz CUQXYWSHHGPGPN-SNVBAGLBSA-N -1 0 354.425 -0.026 20 0 FBADRM CCS(=O)(=O)N(C)CCCNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000578623754 484220546 /nfs/dbraw/zinc/22/05/46/484220546.db2.gz LJXNMTBEFHPFOE-UHFFFAOYSA-N -1 0 365.433 -0.270 20 0 FBADRM CNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1 ZINC000578637812 484220401 /nfs/dbraw/zinc/22/04/01/484220401.db2.gz MRLTXVBRYAPDMC-BWACUDIHSA-N -1 0 351.403 -0.316 20 0 FBADRM CNC(=O)[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1 ZINC000578637813 484220430 /nfs/dbraw/zinc/22/04/30/484220430.db2.gz MRLTXVBRYAPDMC-NVGCLXPQSA-N -1 0 351.403 -0.316 20 0 FBADRM CCS(=O)(=O)N(C)CCCNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000578646739 484221445 /nfs/dbraw/zinc/22/14/45/484221445.db2.gz JFBLJOBGUWBLSE-UHFFFAOYSA-N -1 0 354.406 -0.072 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000578646979 484221304 /nfs/dbraw/zinc/22/13/04/484221304.db2.gz VMQBDULLSBVQHZ-UHFFFAOYSA-N -1 0 366.417 -0.058 20 0 FBADRM CC(=O)NCCN(C(=O)Cn1nnnc1-c1ccsc1)[C@H](C)C(=O)[O-] ZINC000578651682 484221208 /nfs/dbraw/zinc/22/12/08/484221208.db2.gz GOVBSWIGAPDLDI-SECBINFHSA-N -1 0 366.403 -0.161 20 0 FBADRM CC(=O)NCCN(C(=O)Cn1nnnc1-c1ccsc1)[C@@H](C)C(=O)[O-] ZINC000578651683 484221590 /nfs/dbraw/zinc/22/15/90/484221590.db2.gz GOVBSWIGAPDLDI-VIFPVBQESA-N -1 0 366.403 -0.161 20 0 FBADRM COC(=O)[C@@H](NC(=O)CN1[N-]S(=O)(=O)c2ccccc2C1=O)C(C)C ZINC000578682075 484223042 /nfs/dbraw/zinc/22/30/42/484223042.db2.gz CTJAAPFPYGJTPF-ZDUSSCGKSA-N -1 0 369.399 -0.351 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000578686018 484222581 /nfs/dbraw/zinc/22/25/81/484222581.db2.gz KHBALRIGLSSTRR-BDAKNGLRSA-N -1 0 350.393 -0.834 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000578686019 484222968 /nfs/dbraw/zinc/22/29/68/484222968.db2.gz KHBALRIGLSSTRR-DTWKUNHWSA-N -1 0 350.393 -0.834 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000578686020 484222936 /nfs/dbraw/zinc/22/29/36/484222936.db2.gz KHBALRIGLSSTRR-IUCAKERBSA-N -1 0 350.393 -0.834 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000578686021 484222769 /nfs/dbraw/zinc/22/27/69/484222769.db2.gz KHBALRIGLSSTRR-RKDXNWHRSA-N -1 0 350.393 -0.834 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NCCCn2nc3n(c2=O)CCCC3)c[nH]1 ZINC000578704305 484224347 /nfs/dbraw/zinc/22/43/47/484224347.db2.gz ZGTSCQDTPDZVAW-UHFFFAOYSA-N -1 0 369.403 -0.224 20 0 FBADRM CCOC1CC(CNC(=O)c2cnc([O-])n(C)c2=O)(N2CCOCC2)C1 ZINC000578719414 484224749 /nfs/dbraw/zinc/22/47/49/484224749.db2.gz PNBRTUOUZLBPKT-UHFFFAOYSA-N -1 0 366.418 -0.514 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CC(C3CCCC3)C2)CCS1(=O)=O ZINC000578740602 484225288 /nfs/dbraw/zinc/22/52/88/484225288.db2.gz OKYILGIQELWVEC-GFCCVEGCSA-N -1 0 358.416 -0.655 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CC(C3CCCC3)C2)CCS1(=O)=O ZINC000578740603 484225349 /nfs/dbraw/zinc/22/53/49/484225349.db2.gz OKYILGIQELWVEC-LBPRGKRZSA-N -1 0 358.416 -0.655 20 0 FBADRM O=C([O-])C(=O)N1CCN(CC(=O)NCCCN2CCCCCC2=O)CC1 ZINC000578753048 484226017 /nfs/dbraw/zinc/22/60/17/484226017.db2.gz HATHYLHITSGWHV-UHFFFAOYSA-N -1 0 368.434 -0.876 20 0 FBADRM Cc1ccc(NC(=O)N2CC(=O)NC[C@H]2C(=O)[O-])cc1S(C)(=O)=O ZINC000578753635 484226820 /nfs/dbraw/zinc/22/68/20/484226820.db2.gz ZGQWVFNJYBGCFD-JTQLQIEISA-N -1 0 355.372 -0.185 20 0 FBADRM Cc1ccc(NC(=O)N2CC(=O)NC[C@@H]2C(=O)[O-])cc1S(C)(=O)=O ZINC000578753636 484226664 /nfs/dbraw/zinc/22/66/64/484226664.db2.gz ZGQWVFNJYBGCFD-SNVBAGLBSA-N -1 0 355.372 -0.185 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)N[C@H](CC(=O)OC)C(=O)[O-])cc1 ZINC000578753803 484225936 /nfs/dbraw/zinc/22/59/36/484225936.db2.gz GWHPFCGKCAYWAR-LLVKDONJSA-N -1 0 358.372 -0.518 20 0 FBADRM CS(=O)(=O)c1ccc(CNS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000578765326 484225762 /nfs/dbraw/zinc/22/57/62/484225762.db2.gz UCTXIBZVDOBLLL-GFCCVEGCSA-N -1 0 362.429 -0.027 20 0 FBADRM CS(=O)(=O)c1ccc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000578765327 484226823 /nfs/dbraw/zinc/22/68/23/484226823.db2.gz UCTXIBZVDOBLLL-LBPRGKRZSA-N -1 0 362.429 -0.027 20 0 FBADRM CS(=O)(=O)N1CCC(CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1 ZINC000578765421 484225981 /nfs/dbraw/zinc/22/59/81/484225981.db2.gz ZWTXREYEOPLGIV-UHFFFAOYSA-N -1 0 366.421 -0.942 20 0 FBADRM COC[C@@](C)(NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000578766330 484226227 /nfs/dbraw/zinc/22/62/27/484226227.db2.gz MSELGDIMGLFBQT-GFCCVEGCSA-N -1 0 372.465 -0.933 20 0 FBADRM COC[C@](C)(NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000578766331 484226795 /nfs/dbraw/zinc/22/67/95/484226795.db2.gz MSELGDIMGLFBQT-LBPRGKRZSA-N -1 0 372.465 -0.933 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000578769450 484228473 /nfs/dbraw/zinc/22/84/73/484228473.db2.gz RNKWBDJCNIRNKM-LLVKDONJSA-N -1 0 355.372 -0.527 20 0 FBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000578769451 484227611 /nfs/dbraw/zinc/22/76/11/484227611.db2.gz RNKWBDJCNIRNKM-NSHDSACASA-N -1 0 355.372 -0.527 20 0 FBADRM CC(C)(C)OCC[C@@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000578775509 484227459 /nfs/dbraw/zinc/22/74/59/484227459.db2.gz ASFXNLCRCVAHTE-GHMZBOCLSA-N -1 0 365.452 -0.022 20 0 FBADRM CC(C)(C)OCC[C@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000578775510 484228373 /nfs/dbraw/zinc/22/83/73/484228373.db2.gz ASFXNLCRCVAHTE-MNOVXSKESA-N -1 0 365.452 -0.022 20 0 FBADRM CC(C)(C)OCC[C@H](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000578775511 484227466 /nfs/dbraw/zinc/22/74/66/484227466.db2.gz ASFXNLCRCVAHTE-QWRGUYRKSA-N -1 0 365.452 -0.022 20 0 FBADRM CC(C)(C)OCC[C@@H](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000578775512 484228014 /nfs/dbraw/zinc/22/80/14/484228014.db2.gz ASFXNLCRCVAHTE-WDEREUQCSA-N -1 0 365.452 -0.022 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cccc(CC(=O)[O-])c1)C(=O)N1CCOCC1 ZINC000578777003 484227579 /nfs/dbraw/zinc/22/75/79/484227579.db2.gz YCJMPDSSVNHCIE-LLVKDONJSA-N -1 0 356.400 -0.161 20 0 FBADRM C[C@H](NS(=O)(=O)c1cccc(CC(=O)[O-])c1)C(=O)N1CCOCC1 ZINC000578777004 484228500 /nfs/dbraw/zinc/22/85/00/484228500.db2.gz YCJMPDSSVNHCIE-NSHDSACASA-N -1 0 356.400 -0.161 20 0 FBADRM CCO[C@@H]1COC[C@H]1NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000578850754 484231498 /nfs/dbraw/zinc/23/14/98/484231498.db2.gz AWDUVRFBVRPCPA-RKDXNWHRSA-N -1 0 362.180 -0.369 20 0 FBADRM CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)CCCCCC(=O)[O-])C1 ZINC000578863349 484230973 /nfs/dbraw/zinc/23/09/73/484230973.db2.gz LMBUEBLSVYHQOM-LLVKDONJSA-N -1 0 356.466 -0.168 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)CCCCCC(=O)[O-])C1 ZINC000578863356 484230508 /nfs/dbraw/zinc/23/05/08/484230508.db2.gz LMBUEBLSVYHQOM-NSHDSACASA-N -1 0 356.466 -0.168 20 0 FBADRM Cc1n[nH]cc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)NCCO)cc1 ZINC000578883031 484232703 /nfs/dbraw/zinc/23/27/03/484232703.db2.gz VXYJOMDGALLOSX-UHFFFAOYSA-N -1 0 360.417 -0.210 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C[C@H]1C(=O)[O-] ZINC000578891391 484233040 /nfs/dbraw/zinc/23/30/40/484233040.db2.gz NKRTVEUVLXCISU-DDHJBXDOSA-N -1 0 358.416 -0.799 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C[C@H]1C(=O)[O-] ZINC000578891393 484232891 /nfs/dbraw/zinc/23/28/91/484232891.db2.gz NKRTVEUVLXCISU-WISYIIOYSA-N -1 0 358.416 -0.799 20 0 FBADRM O=C([O-])[C@H](O)[C@H]1CCCN(S(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000578946829 484236057 /nfs/dbraw/zinc/23/60/57/484236057.db2.gz KARPSEUNTXWZFS-GZMMTYOYSA-N -1 0 353.347 -0.006 20 0 FBADRM O=C([O-])[C@@H](O)[C@@H]1CCCN(S(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000578946830 484235587 /nfs/dbraw/zinc/23/55/87/484235587.db2.gz KARPSEUNTXWZFS-KCJUWKMLSA-N -1 0 353.347 -0.006 20 0 FBADRM O=C([O-])[C@@H](O)[C@H]1CCCN(S(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000578946831 484235271 /nfs/dbraw/zinc/23/52/71/484235271.db2.gz KARPSEUNTXWZFS-KWQFWETISA-N -1 0 353.347 -0.006 20 0 FBADRM O=C([O-])[C@H](O)[C@@H]1CCCN(S(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000578946832 484235662 /nfs/dbraw/zinc/23/56/62/484235662.db2.gz KARPSEUNTXWZFS-LDYMZIIASA-N -1 0 353.347 -0.006 20 0 FBADRM CN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000578951630 484235189 /nfs/dbraw/zinc/23/51/89/484235189.db2.gz DHBQCQBRIQJKNA-LLVKDONJSA-N -1 0 372.472 -0.026 20 0 FBADRM CN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000578951634 484235729 /nfs/dbraw/zinc/23/57/29/484235729.db2.gz DHBQCQBRIQJKNA-NSHDSACASA-N -1 0 372.472 -0.026 20 0 FBADRM O=C([O-])c1cn(CCNS(=O)(=O)c2ccc3c(c2)C(=O)CCO3)nn1 ZINC000578969657 484235553 /nfs/dbraw/zinc/23/55/53/484235553.db2.gz TXNGLGBFVZVBEO-UHFFFAOYSA-N -1 0 366.355 -0.080 20 0 FBADRM CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000578981171 484237118 /nfs/dbraw/zinc/23/71/18/484237118.db2.gz HHKZSNUXLIXZFX-UHFFFAOYSA-N -1 0 352.390 -0.366 20 0 FBADRM CS(=O)(=O)CCCNS(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)[O-])O2 ZINC000578984570 484237085 /nfs/dbraw/zinc/23/70/85/484237085.db2.gz HWZJJBTUZYJJCF-GFCCVEGCSA-N -1 0 363.413 -0.212 20 0 FBADRM CS(=O)(=O)CCCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)[O-])O2 ZINC000578984571 484237152 /nfs/dbraw/zinc/23/71/52/484237152.db2.gz HWZJJBTUZYJJCF-LBPRGKRZSA-N -1 0 363.413 -0.212 20 0 FBADRM CCS(=O)(=O)N(C)CCCNS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000578985498 484237046 /nfs/dbraw/zinc/23/70/46/484237046.db2.gz WKVYQTRTUWYLCV-UHFFFAOYSA-N -1 0 354.406 -0.072 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)NCCS(=O)(=O)NCC2CCC2)o1 ZINC000578985668 484237781 /nfs/dbraw/zinc/23/77/81/484237781.db2.gz XUDIDPYUNKFBFV-UHFFFAOYSA-N -1 0 366.417 -0.024 20 0 FBADRM Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NCCCC(=O)[O-])c1C ZINC000578988992 484237106 /nfs/dbraw/zinc/23/71/06/484237106.db2.gz VGQKCIKGPICGAM-UHFFFAOYSA-N -1 0 357.388 -0.130 20 0 FBADRM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000579003303 484238880 /nfs/dbraw/zinc/23/88/80/484238880.db2.gz DYOAYLJGGOYJSZ-JTQLQIEISA-N -1 0 356.466 -0.217 20 0 FBADRM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000579003304 484238430 /nfs/dbraw/zinc/23/84/30/484238430.db2.gz DYOAYLJGGOYJSZ-SNVBAGLBSA-N -1 0 356.466 -0.217 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CC(=O)N1 ZINC000579008822 484238563 /nfs/dbraw/zinc/23/85/63/484238563.db2.gz GGBMMOONWXLJRG-BNOWGMLFSA-N -1 0 359.382 -0.340 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CC(=O)N1 ZINC000579008823 484239083 /nfs/dbraw/zinc/23/90/83/484239083.db2.gz GGBMMOONWXLJRG-YUTCNCBUSA-N -1 0 359.382 -0.340 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000579013646 484238999 /nfs/dbraw/zinc/23/89/99/484238999.db2.gz KJIOMDZXMXQZFO-MRVPVSSYSA-N -1 0 367.376 -0.246 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1F ZINC000579013648 484238625 /nfs/dbraw/zinc/23/86/25/484238625.db2.gz KJIOMDZXMXQZFO-QMMMGPOBSA-N -1 0 367.376 -0.246 20 0 FBADRM Cn1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCO3)cc2)nn1 ZINC000579024179 484240277 /nfs/dbraw/zinc/24/02/77/484240277.db2.gz DLWJGULFCURHSO-UHFFFAOYSA-N -1 0 373.416 -0.058 20 0 FBADRM O=c1nc(CCNS(=O)(=O)c2ccccc2Cn2cncn2)[n-]o1 ZINC000579058531 484242017 /nfs/dbraw/zinc/24/20/17/484242017.db2.gz BKKVOBGQMCZVME-UHFFFAOYSA-N -1 0 350.360 -0.476 20 0 FBADRM CN(C)c1cc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)ncn1 ZINC000579063155 484242137 /nfs/dbraw/zinc/24/21/37/484242137.db2.gz XBTJDFHJNREZFZ-UHFFFAOYSA-N -1 0 357.417 -0.009 20 0 FBADRM COCCN1CCN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC1=O ZINC000579100195 484243406 /nfs/dbraw/zinc/24/34/06/484243406.db2.gz SVEAWUJRXZYYDM-UHFFFAOYSA-N -1 0 363.370 -0.431 20 0 FBADRM CN(C)S(=O)(=O)NCCNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000579102117 484244051 /nfs/dbraw/zinc/24/40/51/484244051.db2.gz OHLFPOLCUIMXJL-UHFFFAOYSA-N -1 0 364.449 -0.816 20 0 FBADRM CS(=O)(=O)c1cccc(CS(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000579106548 484243492 /nfs/dbraw/zinc/24/34/92/484243492.db2.gz WWFIMAYTBFTHTF-GFCCVEGCSA-N -1 0 363.413 -0.295 20 0 FBADRM CS(=O)(=O)c1cccc(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000579106554 484243530 /nfs/dbraw/zinc/24/35/30/484243530.db2.gz WWFIMAYTBFTHTF-LBPRGKRZSA-N -1 0 363.413 -0.295 20 0 FBADRM CNC(=O)C1CCC(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000579108958 484243970 /nfs/dbraw/zinc/24/39/70/484243970.db2.gz MDQMVSNUHXMPRM-IKWCTNDRSA-N -1 0 353.419 -0.023 20 0 FBADRM CNC(=O)C1CCC(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000579108959 484244150 /nfs/dbraw/zinc/24/41/50/484244150.db2.gz MDQMVSNUHXMPRM-WTIISPKJSA-N -1 0 353.419 -0.023 20 0 FBADRM CNC(=O)C1CCC(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000579108960 484243466 /nfs/dbraw/zinc/24/34/66/484243466.db2.gz MDQMVSNUHXMPRM-XVSSEFHLSA-N -1 0 353.419 -0.023 20 0 FBADRM CNC(=O)C1CCC(NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000579108961 484243848 /nfs/dbraw/zinc/24/38/48/484243848.db2.gz MDQMVSNUHXMPRM-YWPUVAFDSA-N -1 0 353.419 -0.023 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NCCCC(=O)[O-] ZINC000579117823 484244351 /nfs/dbraw/zinc/24/43/51/484244351.db2.gz UJZCKAWMISELCN-UHFFFAOYSA-N -1 0 373.431 -0.037 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-])cc1 ZINC000579125754 484243474 /nfs/dbraw/zinc/24/34/74/484243474.db2.gz GWHPFCGKCAYWAR-NSHDSACASA-N -1 0 358.372 -0.518 20 0 FBADRM CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1 ZINC000579127181 484243417 /nfs/dbraw/zinc/24/34/17/484243417.db2.gz ZZVZQZBHQWRDNZ-SECBINFHSA-N -1 0 365.433 -0.574 20 0 FBADRM CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1 ZINC000579127182 484243347 /nfs/dbraw/zinc/24/33/47/484243347.db2.gz ZZVZQZBHQWRDNZ-VIFPVBQESA-N -1 0 365.433 -0.574 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCNC[C@@H]2C(F)F)cn1C ZINC000579127359 484243588 /nfs/dbraw/zinc/24/35/88/484243588.db2.gz YRHKOOSIIAQQCU-SECBINFHSA-N -1 0 351.379 -0.928 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCNC[C@H]2C(F)F)cn1C ZINC000579127360 484243077 /nfs/dbraw/zinc/24/30/77/484243077.db2.gz YRHKOOSIIAQQCU-VIFPVBQESA-N -1 0 351.379 -0.928 20 0 FBADRM C[C@@H](CC(=O)[O-])N(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000579130133 484245751 /nfs/dbraw/zinc/24/57/51/484245751.db2.gz MWFBNZPVJLQVGG-JTQLQIEISA-N -1 0 359.404 -0.029 20 0 FBADRM C[C@H](CC(=O)[O-])N(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000579130134 484245939 /nfs/dbraw/zinc/24/59/39/484245939.db2.gz MWFBNZPVJLQVGG-SNVBAGLBSA-N -1 0 359.404 -0.029 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c(F)c1 ZINC000579170752 484247555 /nfs/dbraw/zinc/24/75/55/484247555.db2.gz QQHRBNQPIILWIJ-SECBINFHSA-N -1 0 362.335 -0.391 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCc2n[nH]nc2C1 ZINC000579180469 484247338 /nfs/dbraw/zinc/24/73/38/484247338.db2.gz RIIQBDKLWZCNJI-UHFFFAOYSA-N -1 0 357.342 -0.054 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000579195243 484248208 /nfs/dbraw/zinc/24/82/08/484248208.db2.gz WTKVFIUZERTJOE-KGYLQXTDSA-N -1 0 359.400 -0.228 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000579195244 484247888 /nfs/dbraw/zinc/24/78/88/484247888.db2.gz WTKVFIUZERTJOE-RAIGVLPGSA-N -1 0 359.400 -0.228 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000579195245 484248079 /nfs/dbraw/zinc/24/80/79/484248079.db2.gz WTKVFIUZERTJOE-RTXFEEFZSA-N -1 0 359.400 -0.228 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000579195246 484247093 /nfs/dbraw/zinc/24/70/93/484247093.db2.gz WTKVFIUZERTJOE-WXHSDQCUSA-N -1 0 359.400 -0.228 20 0 FBADRM CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1 ZINC000579220561 484249140 /nfs/dbraw/zinc/24/91/40/484249140.db2.gz HYQBBRNUIXPSAZ-MZPVMMEZSA-N -1 0 351.403 -0.316 20 0 FBADRM CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1 ZINC000579220563 484249821 /nfs/dbraw/zinc/24/98/21/484249821.db2.gz HYQBBRNUIXPSAZ-YMRXKLBXSA-N -1 0 351.403 -0.316 20 0 FBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CCN(c3cccnn3)CC2)C1 ZINC000579227180 484249434 /nfs/dbraw/zinc/24/94/34/484249434.db2.gz ROQJNSGKRBKSKM-GFCCVEGCSA-N -1 0 355.420 -0.360 20 0 FBADRM O=C([O-])[C@H]1CCCN(S(=O)(=O)N2CCN(c3cccnn3)CC2)C1 ZINC000579227181 484249615 /nfs/dbraw/zinc/24/96/15/484249615.db2.gz ROQJNSGKRBKSKM-LBPRGKRZSA-N -1 0 355.420 -0.360 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCC2(S(C)(=O)=O)CCC2)C[C@H]1C(=O)[O-] ZINC000579231378 484249835 /nfs/dbraw/zinc/24/98/35/484249835.db2.gz CMOOGDVRSNCFTN-GHMZBOCLSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCC2(S(C)(=O)=O)CCC2)C[C@@H]1C(=O)[O-] ZINC000579231379 484249233 /nfs/dbraw/zinc/24/92/33/484249233.db2.gz CMOOGDVRSNCFTN-MNOVXSKESA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCC2(S(C)(=O)=O)CCC2)C[C@@H]1C(=O)[O-] ZINC000579231380 484249803 /nfs/dbraw/zinc/24/98/03/484249803.db2.gz CMOOGDVRSNCFTN-QWRGUYRKSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCC2(S(C)(=O)=O)CCC2)C[C@H]1C(=O)[O-] ZINC000579231381 484249116 /nfs/dbraw/zinc/24/91/16/484249116.db2.gz CMOOGDVRSNCFTN-WDEREUQCSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)C[C@@H]1C(=O)[O-] ZINC000579231920 484249003 /nfs/dbraw/zinc/24/90/03/484249003.db2.gz ZCDDQJPJBGXSNL-AGIUHOORSA-N -1 0 374.459 -0.019 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)C[C@H]1C(=O)[O-] ZINC000579231921 484248974 /nfs/dbraw/zinc/24/89/74/484248974.db2.gz ZCDDQJPJBGXSNL-FRRDWIJNSA-N -1 0 374.459 -0.019 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)C[C@H]1C(=O)[O-] ZINC000579231922 484248811 /nfs/dbraw/zinc/24/88/11/484248811.db2.gz ZCDDQJPJBGXSNL-JHJVBQTASA-N -1 0 374.459 -0.019 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)C[C@@H]1C(=O)[O-] ZINC000579231923 484249057 /nfs/dbraw/zinc/24/90/57/484249057.db2.gz ZCDDQJPJBGXSNL-UPJWGTAASA-N -1 0 374.459 -0.019 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000579234104 484249778 /nfs/dbraw/zinc/24/97/78/484249778.db2.gz LDKDIUMFNJNSLL-LLVKDONJSA-N -1 0 360.454 -0.933 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000579234105 484248892 /nfs/dbraw/zinc/24/88/92/484248892.db2.gz LDKDIUMFNJNSLL-NSHDSACASA-N -1 0 360.454 -0.933 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC(N3CCNC3=O)CC2)C[C@@H]1C(=O)[O-] ZINC000579238599 484248826 /nfs/dbraw/zinc/24/88/26/484248826.db2.gz NDEGCFHOZFFPMJ-AAEUAGOBSA-N -1 0 366.418 -0.428 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC(N3CCNC3=O)CC2)C[C@H]1C(=O)[O-] ZINC000579238600 484249184 /nfs/dbraw/zinc/24/91/84/484249184.db2.gz NDEGCFHOZFFPMJ-DGCLKSJQSA-N -1 0 366.418 -0.428 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC(N3CCNC3=O)CC2)C[C@H]1C(=O)[O-] ZINC000579238601 484249659 /nfs/dbraw/zinc/24/96/59/484249659.db2.gz NDEGCFHOZFFPMJ-WCQYABFASA-N -1 0 366.418 -0.428 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC(N3CCNC3=O)CC2)C[C@@H]1C(=O)[O-] ZINC000579238602 484249583 /nfs/dbraw/zinc/24/95/83/484249583.db2.gz NDEGCFHOZFFPMJ-YPMHNXCESA-N -1 0 366.418 -0.428 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)N2CCn3nncc3C2)cc1 ZINC000579241217 484251409 /nfs/dbraw/zinc/25/14/09/484251409.db2.gz FQOGJDXLOOACLF-UHFFFAOYSA-N -1 0 365.371 -0.703 20 0 FBADRM C[C@@H](C(=O)[O-])C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000579245085 484250438 /nfs/dbraw/zinc/25/04/38/484250438.db2.gz GAQMRAAHGJHUMI-SECBINFHSA-N -1 0 355.372 -0.534 20 0 FBADRM C[C@H](C(=O)[O-])C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000579245107 484250663 /nfs/dbraw/zinc/25/06/63/484250663.db2.gz GAQMRAAHGJHUMI-VIFPVBQESA-N -1 0 355.372 -0.534 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC000579253304 484250335 /nfs/dbraw/zinc/25/03/35/484250335.db2.gz PBIYRCPUMCFKBI-GHMZBOCLSA-N -1 0 352.409 -0.967 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000579253305 484250405 /nfs/dbraw/zinc/25/04/05/484250405.db2.gz PBIYRCPUMCFKBI-MNOVXSKESA-N -1 0 352.409 -0.967 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-] ZINC000579253306 484251085 /nfs/dbraw/zinc/25/10/85/484251085.db2.gz PBIYRCPUMCFKBI-QWRGUYRKSA-N -1 0 352.409 -0.967 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-] ZINC000579253307 484251201 /nfs/dbraw/zinc/25/12/01/484251201.db2.gz PBIYRCPUMCFKBI-WDEREUQCSA-N -1 0 352.409 -0.967 20 0 FBADRM Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000579256949 484251110 /nfs/dbraw/zinc/25/11/10/484251110.db2.gz LDKDVHFMTRTPGS-SECBINFHSA-N -1 0 366.403 -0.119 20 0 FBADRM Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000579256950 484250349 /nfs/dbraw/zinc/25/03/49/484250349.db2.gz LDKDVHFMTRTPGS-VIFPVBQESA-N -1 0 366.403 -0.119 20 0 FBADRM COC(=O)CCCc1nnc([N-]C(=O)c2ccc(S(N)(=O)=O)o2)s1 ZINC000579290929 484244322 /nfs/dbraw/zinc/24/43/22/484244322.db2.gz SDGUFMVZHHYCKC-UHFFFAOYSA-N -1 0 374.400 0.527 20 0 FBADRM CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](CCO)C(=O)[O-] ZINC000579304013 484253435 /nfs/dbraw/zinc/25/34/35/484253435.db2.gz RTJFDMUNKUHJOZ-VIFPVBQESA-N -1 0 366.417 -0.901 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cn1 ZINC000579307884 484253618 /nfs/dbraw/zinc/25/36/18/484253618.db2.gz VBZPWORZWFLGLY-UHFFFAOYSA-N -1 0 355.332 -0.864 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)NC2CC2)C1=O ZINC000579332148 484254419 /nfs/dbraw/zinc/25/44/19/484254419.db2.gz UWVPCJFTGQAXQY-CHWSQXEVSA-N -1 0 353.400 0.000 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)NC2CC2)C1=O ZINC000579332150 484253887 /nfs/dbraw/zinc/25/38/87/484253887.db2.gz UWVPCJFTGQAXQY-OLZOCXBDSA-N -1 0 353.400 0.000 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)NC2CC2)C1=O ZINC000579332152 484254080 /nfs/dbraw/zinc/25/40/80/484254080.db2.gz UWVPCJFTGQAXQY-QWHCGFSZSA-N -1 0 353.400 0.000 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)NC2CC2)C1=O ZINC000579332154 484253954 /nfs/dbraw/zinc/25/39/54/484253954.db2.gz UWVPCJFTGQAXQY-STQMWFEESA-N -1 0 353.400 0.000 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCOC[C@H]2CCCO2)CCS1(=O)=O ZINC000579343321 484255475 /nfs/dbraw/zinc/25/54/75/484255475.db2.gz OOJHSNGCHJWHBH-GHMZBOCLSA-N -1 0 350.393 -0.925 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCOC[C@H]2CCCO2)CCS1(=O)=O ZINC000579343322 484255331 /nfs/dbraw/zinc/25/53/31/484255331.db2.gz OOJHSNGCHJWHBH-MNOVXSKESA-N -1 0 350.393 -0.925 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCOC[C@@H]2CCCO2)CCS1(=O)=O ZINC000579343323 484255299 /nfs/dbraw/zinc/25/52/99/484255299.db2.gz OOJHSNGCHJWHBH-QWRGUYRKSA-N -1 0 350.393 -0.925 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCOC[C@@H]2CCCO2)CCS1(=O)=O ZINC000579343324 484255377 /nfs/dbraw/zinc/25/53/77/484255377.db2.gz OOJHSNGCHJWHBH-WDEREUQCSA-N -1 0 350.393 -0.925 20 0 FBADRM Cn1ncc2c1ncnc2N1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC000579351847 484255396 /nfs/dbraw/zinc/25/53/96/484255396.db2.gz FVQOBZOQKXPYLW-UHFFFAOYSA-N -1 0 368.357 -0.186 20 0 FBADRM CC[C@@H](NC(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1)C(=O)[O-] ZINC000579354357 484255682 /nfs/dbraw/zinc/25/56/82/484255682.db2.gz VNGVPTRQTLOQOQ-SNVBAGLBSA-N -1 0 362.346 -0.103 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000579354777 484255003 /nfs/dbraw/zinc/25/50/03/484255003.db2.gz DMQFRLYFUQHDGB-UHFFFAOYSA-N -1 0 350.375 -0.485 20 0 FBADRM COC(=O)c1cn(CCNS(=O)(=O)c2ccc(CC(=O)[O-])cc2)nn1 ZINC000579360322 484255420 /nfs/dbraw/zinc/25/54/20/484255420.db2.gz CEVYPIPBAAGQOZ-UHFFFAOYSA-N -1 0 368.371 -0.330 20 0 FBADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000579361167 484255768 /nfs/dbraw/zinc/25/57/68/484255768.db2.gz UZPMEKRHENEKAT-LLVKDONJSA-N -1 0 356.466 -0.217 20 0 FBADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000579361168 484255072 /nfs/dbraw/zinc/25/50/72/484255072.db2.gz UZPMEKRHENEKAT-NSHDSACASA-N -1 0 356.466 -0.217 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc2c1OCO2 ZINC000579378013 484256517 /nfs/dbraw/zinc/25/65/17/484256517.db2.gz PHIBSMQDDFVRHC-MRVPVSSYSA-N -1 0 363.369 -0.712 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc2c1OCO2 ZINC000579378014 484257007 /nfs/dbraw/zinc/25/70/07/484257007.db2.gz PHIBSMQDDFVRHC-QMMMGPOBSA-N -1 0 363.369 -0.712 20 0 FBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000579424547 484259868 /nfs/dbraw/zinc/25/98/68/484259868.db2.gz DIHDALONEXOZMG-LLVKDONJSA-N -1 0 356.356 -0.368 20 0 FBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000579424548 484260825 /nfs/dbraw/zinc/26/08/25/484260825.db2.gz DIHDALONEXOZMG-NSHDSACASA-N -1 0 356.356 -0.368 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1ccc(Br)o1 ZINC000579432831 484260755 /nfs/dbraw/zinc/26/07/55/484260755.db2.gz FICLYYRDKKJPFN-UHFFFAOYSA-N -1 0 355.166 -0.089 20 0 FBADRM Cc1ncc2c(n1)CC[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C2 ZINC000579468781 484261999 /nfs/dbraw/zinc/26/19/99/484261999.db2.gz KMDHTWMLEMKFCO-LLVKDONJSA-N -1 0 351.388 -0.098 20 0 FBADRM Cc1ncc2c(n1)CC[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C2 ZINC000579468782 484261322 /nfs/dbraw/zinc/26/13/22/484261322.db2.gz KMDHTWMLEMKFCO-NSHDSACASA-N -1 0 351.388 -0.098 20 0 FBADRM Cn1cnn(CC(=O)N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)c1=O ZINC000579473696 484262133 /nfs/dbraw/zinc/26/21/33/484262133.db2.gz HJWCFPQJVCSXOV-GXTWGEPZSA-N -1 0 373.369 -0.875 20 0 FBADRM Cn1cnn(CC(=O)N[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)c1=O ZINC000579473697 484261758 /nfs/dbraw/zinc/26/17/58/484261758.db2.gz HJWCFPQJVCSXOV-JSGCOSHPSA-N -1 0 373.369 -0.875 20 0 FBADRM Cn1cnn(CC(=O)N[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)c1=O ZINC000579473698 484261533 /nfs/dbraw/zinc/26/15/33/484261533.db2.gz HJWCFPQJVCSXOV-OCCSQVGLSA-N -1 0 373.369 -0.875 20 0 FBADRM Cn1cnn(CC(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)c1=O ZINC000579473699 484261733 /nfs/dbraw/zinc/26/17/33/484261733.db2.gz HJWCFPQJVCSXOV-TZMCWYRMSA-N -1 0 373.369 -0.875 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000579480426 484261384 /nfs/dbraw/zinc/26/13/84/484261384.db2.gz DMNUECWHWJDDME-BDAKNGLRSA-N -1 0 352.409 -0.433 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000579480427 484262069 /nfs/dbraw/zinc/26/20/69/484262069.db2.gz DMNUECWHWJDDME-IUCAKERBSA-N -1 0 352.409 -0.433 20 0 FBADRM Cn1cnc(CCNC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)n1 ZINC000579536482 484264893 /nfs/dbraw/zinc/26/48/93/484264893.db2.gz HWTHGZVJTPZZBZ-UHFFFAOYSA-N -1 0 359.358 -0.270 20 0 FBADRM Cc1oc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1C(=O)[O-] ZINC000579588893 484267005 /nfs/dbraw/zinc/26/70/05/484267005.db2.gz LWJITGAUSLRVLS-UHFFFAOYSA-N -1 0 352.390 -0.448 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000579589089 484266925 /nfs/dbraw/zinc/26/69/25/484266925.db2.gz VXTOXJPSLIIBTM-GFCCVEGCSA-N -1 0 366.417 -0.508 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000579589090 484266666 /nfs/dbraw/zinc/26/66/66/484266666.db2.gz VXTOXJPSLIIBTM-LBPRGKRZSA-N -1 0 366.417 -0.508 20 0 FBADRM C[C@@]1(F)CNCCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000579591256 484267027 /nfs/dbraw/zinc/26/70/27/484267027.db2.gz IAMIQMVTAUVLLR-CYBMUJFWSA-N -1 0 357.367 -0.242 20 0 FBADRM C[C@]1(F)CNCCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000579591257 484266809 /nfs/dbraw/zinc/26/68/09/484266809.db2.gz IAMIQMVTAUVLLR-ZDUSSCGKSA-N -1 0 357.367 -0.242 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cn1C ZINC000579593274 484267110 /nfs/dbraw/zinc/26/71/10/484267110.db2.gz ZNEPLMBYSFFJRJ-GXSJLCMTSA-N -1 0 358.420 -0.424 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cn1C ZINC000579593275 484267145 /nfs/dbraw/zinc/26/71/45/484267145.db2.gz ZNEPLMBYSFFJRJ-KOLCDFICSA-N -1 0 358.420 -0.424 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cn1C ZINC000579593276 484266774 /nfs/dbraw/zinc/26/67/74/484266774.db2.gz ZNEPLMBYSFFJRJ-MWLCHTKSSA-N -1 0 358.420 -0.424 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cn1C ZINC000579593277 484267597 /nfs/dbraw/zinc/26/75/97/484267597.db2.gz ZNEPLMBYSFFJRJ-ONGXEEELSA-N -1 0 358.420 -0.424 20 0 FBADRM CS(=O)(=O)Nc1cccc(CNC(=O)C(=O)NCCCC(=O)[O-])c1 ZINC000579593453 484267608 /nfs/dbraw/zinc/26/76/08/484267608.db2.gz KSERPIXMWAFJBU-UHFFFAOYSA-N -1 0 357.388 -0.345 20 0 FBADRM C[C@@H]1CN(c2ccc(CNC(=O)C(=O)NCCCC(=O)[O-])cn2)CCO1 ZINC000579593557 484267156 /nfs/dbraw/zinc/26/71/56/484267156.db2.gz SVDHEJQARGHZJL-GFCCVEGCSA-N -1 0 364.402 -0.096 20 0 FBADRM C[C@H]1CN(c2ccc(CNC(=O)C(=O)NCCCC(=O)[O-])cn2)CCO1 ZINC000579593558 484266444 /nfs/dbraw/zinc/26/64/44/484266444.db2.gz SVDHEJQARGHZJL-LBPRGKRZSA-N -1 0 364.402 -0.096 20 0 FBADRM O=C([O-])c1ccc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)nn1 ZINC000579597459 484267126 /nfs/dbraw/zinc/26/71/26/484267126.db2.gz OUXXGCNHUXBKGW-UHFFFAOYSA-N -1 0 353.360 -0.185 20 0 FBADRM COC(=O)[C@@H](NC(=O)CSc1n[n-]c2nc(=O)c(C)nn21)C(C)C ZINC000579650214 484270112 /nfs/dbraw/zinc/27/01/12/484270112.db2.gz VWDJFCTVDVAUJR-VIFPVBQESA-N -1 0 354.392 -0.473 20 0 FBADRM C[C@H](CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)S(N)(=O)=O ZINC000579655081 484270335 /nfs/dbraw/zinc/27/03/35/484270335.db2.gz ZXQLQFKGWZDMDB-SSDOTTSWSA-N -1 0 371.387 -0.964 20 0 FBADRM C[C@@H](CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)S(N)(=O)=O ZINC000579655082 484270284 /nfs/dbraw/zinc/27/02/84/484270284.db2.gz ZXQLQFKGWZDMDB-ZETCQYMHSA-N -1 0 371.387 -0.964 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000579666306 484269784 /nfs/dbraw/zinc/26/97/84/484269784.db2.gz DFXWLVNWRPBHER-LLVKDONJSA-N -1 0 360.326 -0.242 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000579666307 484270804 /nfs/dbraw/zinc/27/08/04/484270804.db2.gz DFXWLVNWRPBHER-NSHDSACASA-N -1 0 360.326 -0.242 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC000579667144 484270329 /nfs/dbraw/zinc/27/03/29/484270329.db2.gz VFEIMRDGKJTWLA-MUWHJKNJSA-N -1 0 350.374 -0.208 20 0 FBADRM CC1(C)CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)[C@@H](C(=O)[O-])CO1 ZINC000579680673 484271960 /nfs/dbraw/zinc/27/19/60/484271960.db2.gz IEEWTCBGFIKQMT-GFCCVEGCSA-N -1 0 367.387 -0.085 20 0 FBADRM CC1(C)CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)[C@H](C(=O)[O-])CO1 ZINC000579680674 484271751 /nfs/dbraw/zinc/27/17/51/484271751.db2.gz IEEWTCBGFIKQMT-LBPRGKRZSA-N -1 0 367.387 -0.085 20 0 FBADRM COCCOc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1 ZINC000579699943 484272387 /nfs/dbraw/zinc/27/23/87/484272387.db2.gz USESYCGEFQWHDT-UHFFFAOYSA-N -1 0 360.388 -0.419 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)CCCCCC(=O)[O-] ZINC000579705960 484271419 /nfs/dbraw/zinc/27/14/19/484271419.db2.gz UDGCMWTUKUNORG-LLVKDONJSA-N -1 0 356.466 -0.025 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000579710608 484271382 /nfs/dbraw/zinc/27/13/82/484271382.db2.gz PEXLNPSJOARDSM-VIFPVBQESA-N -1 0 357.388 -0.097 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N2CCN(c3nc(C(=O)[O-])co3)CC2)C[C@@H](C)O1 ZINC000579715598 484273204 /nfs/dbraw/zinc/27/32/04/484273204.db2.gz AJPCMSPEMDRMTG-GHMZBOCLSA-N -1 0 374.419 -0.151 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N2CCN(c3nc(C(=O)[O-])co3)CC2)C[C@H](C)O1 ZINC000579715600 484273299 /nfs/dbraw/zinc/27/32/99/484273299.db2.gz AJPCMSPEMDRMTG-PHIMTYICSA-N -1 0 374.419 -0.151 20 0 FBADRM C[C@H]1CN(S(=O)(=O)N2CCN(c3nc(C(=O)[O-])co3)CC2)C[C@H](C)O1 ZINC000579715601 484273739 /nfs/dbraw/zinc/27/37/39/484273739.db2.gz AJPCMSPEMDRMTG-QWRGUYRKSA-N -1 0 374.419 -0.151 20 0 FBADRM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C(=O)[O-])C1 ZINC000579732403 484275063 /nfs/dbraw/zinc/27/50/63/484275063.db2.gz WDOLYTZRBPMQBH-GYSYKLTISA-N -1 0 353.375 -0.678 20 0 FBADRM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C(=O)[O-])C1 ZINC000579732405 484274148 /nfs/dbraw/zinc/27/41/48/484274148.db2.gz WDOLYTZRBPMQBH-JTNHKYCSSA-N -1 0 353.375 -0.678 20 0 FBADRM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C(=O)[O-])C1 ZINC000579732406 484275289 /nfs/dbraw/zinc/27/52/89/484275289.db2.gz WDOLYTZRBPMQBH-MISXGVKJSA-N -1 0 353.375 -0.678 20 0 FBADRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C(=O)[O-])C1 ZINC000579732408 484275213 /nfs/dbraw/zinc/27/52/13/484275213.db2.gz WDOLYTZRBPMQBH-WDMOLILDSA-N -1 0 353.375 -0.678 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)cn1 ZINC000579792336 484276309 /nfs/dbraw/zinc/27/63/09/484276309.db2.gz XFTRKYAVNQLKGX-BXUZGUMPSA-N -1 0 373.387 -0.832 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@]3(CCOC3)C2)cn1 ZINC000579792337 484276663 /nfs/dbraw/zinc/27/66/63/484276663.db2.gz XFTRKYAVNQLKGX-FZMZJTMJSA-N -1 0 373.387 -0.832 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)cn1 ZINC000579792338 484275988 /nfs/dbraw/zinc/27/59/88/484275988.db2.gz XFTRKYAVNQLKGX-RISCZKNCSA-N -1 0 373.387 -0.832 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@]3(CCOC3)C2)cn1 ZINC000579792339 484276851 /nfs/dbraw/zinc/27/68/51/484276851.db2.gz XFTRKYAVNQLKGX-SMDDNHRTSA-N -1 0 373.387 -0.832 20 0 FBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000579828724 484278094 /nfs/dbraw/zinc/27/80/94/484278094.db2.gz MLLKAISKUBRUSY-MRVPVSSYSA-N -1 0 366.417 -0.148 20 0 FBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000579828725 484278064 /nfs/dbraw/zinc/27/80/64/484278064.db2.gz MLLKAISKUBRUSY-QMMMGPOBSA-N -1 0 366.417 -0.148 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000579832531 484279145 /nfs/dbraw/zinc/27/91/45/484279145.db2.gz HKZBOEACDHRSRR-UHFFFAOYSA-N -1 0 372.403 -0.728 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)s1 ZINC000579834298 484278985 /nfs/dbraw/zinc/27/89/85/484278985.db2.gz QXRIDGPTXPFTQU-SECBINFHSA-N -1 0 359.389 -0.061 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccnn2C)s1 ZINC000579834299 484278862 /nfs/dbraw/zinc/27/88/62/484278862.db2.gz QXRIDGPTXPFTQU-VIFPVBQESA-N -1 0 359.389 -0.061 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)CN1CCOCC1 ZINC000579838546 484278948 /nfs/dbraw/zinc/27/89/48/484278948.db2.gz CTEOAVHAICNFGB-HZSPNIEDSA-N -1 0 355.435 -0.360 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)CN1CCOCC1 ZINC000579838547 484278632 /nfs/dbraw/zinc/27/86/32/484278632.db2.gz CTEOAVHAICNFGB-MCIONIFRSA-N -1 0 355.435 -0.360 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)CN1CCOCC1 ZINC000579838548 484279230 /nfs/dbraw/zinc/27/92/30/484279230.db2.gz CTEOAVHAICNFGB-MGPQQGTHSA-N -1 0 355.435 -0.360 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)CN1CCOCC1 ZINC000579838549 484279367 /nfs/dbraw/zinc/27/93/67/484279367.db2.gz CTEOAVHAICNFGB-RDBSUJKOSA-N -1 0 355.435 -0.360 20 0 FBADRM CCn1cc(S(=O)(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000579840104 484278851 /nfs/dbraw/zinc/27/88/51/484278851.db2.gz KWKXDKIHFJZJAG-SECBINFHSA-N -1 0 365.433 -0.482 20 0 FBADRM CCn1cc(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000579840105 484279336 /nfs/dbraw/zinc/27/93/36/484279336.db2.gz KWKXDKIHFJZJAG-VIFPVBQESA-N -1 0 365.433 -0.482 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1 ZINC000579844667 484278695 /nfs/dbraw/zinc/27/86/95/484278695.db2.gz IRNUMZJSRUNANH-UHFFFAOYSA-N -1 0 357.388 -0.944 20 0 FBADRM COCCNC(=O)CNS(=O)(=O)c1ccc(OC)c(CC(=O)[O-])c1 ZINC000579844738 484279105 /nfs/dbraw/zinc/27/91/05/484279105.db2.gz LMTVCPCFZAHLNJ-UHFFFAOYSA-N -1 0 360.388 -0.637 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C ZINC000579867389 484280756 /nfs/dbraw/zinc/28/07/56/484280756.db2.gz JKSYZCYAXRURIF-ZJUUUORDSA-N -1 0 374.481 -0.498 20 0 FBADRM O=C([O-])c1ccc(C(=O)NCCS(=O)(=O)N2CCSCC2)nc1 ZINC000579908272 484282213 /nfs/dbraw/zinc/28/22/13/484282213.db2.gz BAWNJTNVSXQTEP-UHFFFAOYSA-N -1 0 359.429 -0.112 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cc1F ZINC000579912981 484282662 /nfs/dbraw/zinc/28/26/62/484282662.db2.gz ISHDXKNJVMSVJY-UHFFFAOYSA-N -1 0 372.334 -0.233 20 0 FBADRM C[C@@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000579953078 484283660 /nfs/dbraw/zinc/28/36/60/484283660.db2.gz FAGKGEGARQIZLL-GXSJLCMTSA-N -1 0 354.450 -0.322 20 0 FBADRM C[C@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000579953079 484284311 /nfs/dbraw/zinc/28/43/11/484284311.db2.gz FAGKGEGARQIZLL-KOLCDFICSA-N -1 0 354.450 -0.322 20 0 FBADRM C[C@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000579953080 484283997 /nfs/dbraw/zinc/28/39/97/484283997.db2.gz FAGKGEGARQIZLL-MWLCHTKSSA-N -1 0 354.450 -0.322 20 0 FBADRM C[C@@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000579953081 484283872 /nfs/dbraw/zinc/28/38/72/484283872.db2.gz FAGKGEGARQIZLL-ONGXEEELSA-N -1 0 354.450 -0.322 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)C[C@H]1C(=O)[O-] ZINC000579959089 484286187 /nfs/dbraw/zinc/28/61/87/484286187.db2.gz ZAWCQWZASWPZFS-NOOOWODRSA-N -1 0 360.432 -0.410 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)C[C@@H]1C(=O)[O-] ZINC000579959092 484285248 /nfs/dbraw/zinc/28/52/48/484285248.db2.gz ZAWCQWZASWPZFS-RHYQMDGZSA-N -1 0 360.432 -0.410 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)C[C@H]1C(=O)[O-] ZINC000579959093 484285927 /nfs/dbraw/zinc/28/59/27/484285927.db2.gz ZAWCQWZASWPZFS-WISYIIOYSA-N -1 0 360.432 -0.410 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)C[C@@H]1C(=O)[O-] ZINC000579959094 484285411 /nfs/dbraw/zinc/28/54/11/484285411.db2.gz ZAWCQWZASWPZFS-WYUUTHIRSA-N -1 0 360.432 -0.410 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)NCC2(C(=O)[O-])CC2)CC1 ZINC000579964807 484285652 /nfs/dbraw/zinc/28/56/52/484285652.db2.gz VCTDPQSNXLEQDQ-UHFFFAOYSA-N -1 0 354.450 -0.558 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCCN3CCC(O)CC3)cc-2c(=O)[n-]1 ZINC000579973220 484285613 /nfs/dbraw/zinc/28/56/13/484285613.db2.gz WSBRZALPOUUUBA-UHFFFAOYSA-N -1 0 369.403 -0.829 20 0 FBADRM O=C([O-])[C@@H]1CCN1S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000580027170 484289564 /nfs/dbraw/zinc/28/95/64/484289564.db2.gz JNIHYCYZVWYDBI-LBPRGKRZSA-N -1 0 360.413 -0.025 20 0 FBADRM COCCOCCS(=O)(=O)N1CCC(O)(C(C)(C)C(=O)[O-])CC1 ZINC000580048971 484293082 /nfs/dbraw/zinc/29/30/82/484293082.db2.gz DXRQZMNLFFVJJF-UHFFFAOYSA-N -1 0 353.437 -0.083 20 0 FBADRM O=C([O-])C(=O)N1CCN(CC(=O)Nc2ccccc2N2CCCC2=O)CC1 ZINC000580079931 484296394 /nfs/dbraw/zinc/29/63/94/484296394.db2.gz JMXOSBGHTAZYKE-UHFFFAOYSA-N -1 0 374.397 -0.019 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCn3nncc3C2)c1 ZINC000580093833 484298166 /nfs/dbraw/zinc/29/81/66/484298166.db2.gz LQMVSXOYXOQWOG-UHFFFAOYSA-N -1 0 351.388 -0.110 20 0 FBADRM NC(=O)CN(CC(N)=O)S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000580124879 484301836 /nfs/dbraw/zinc/30/18/36/484301836.db2.gz GOMNUHXVZILJRD-UHFFFAOYSA-N -1 0 355.294 -0.628 20 0 FBADRM NC(=O)C[C@@H](NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1)C(=O)[O-] ZINC000580144263 484304963 /nfs/dbraw/zinc/30/49/63/484304963.db2.gz NKHRCCULIFYXLC-SSDOTTSWSA-N -1 0 371.293 -0.370 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000580145212 484304810 /nfs/dbraw/zinc/30/48/10/484304810.db2.gz VKIYUPBFYNMFNE-BDAKNGLRSA-N -1 0 353.393 -0.100 20 0 FBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000580145213 484305299 /nfs/dbraw/zinc/30/52/99/484305299.db2.gz VKIYUPBFYNMFNE-IUCAKERBSA-N -1 0 353.393 -0.100 20 0 FBADRM C[C@H](CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000580192423 484341434 /nfs/dbraw/zinc/34/14/34/484341434.db2.gz NSALSRHKDYFLJJ-NXEZZACHSA-N -1 0 371.415 -0.369 20 0 FBADRM C[C@@H](CN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000580192424 484341624 /nfs/dbraw/zinc/34/16/24/484341624.db2.gz NSALSRHKDYFLJJ-UWVGGRQHSA-N -1 0 371.415 -0.369 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000580192425 484342065 /nfs/dbraw/zinc/34/20/65/484342065.db2.gz NSALSRHKDYFLJJ-VHSXEESVSA-N -1 0 371.415 -0.369 20 0 FBADRM C[C@H](CN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000580192426 484341455 /nfs/dbraw/zinc/34/14/55/484341455.db2.gz NSALSRHKDYFLJJ-ZJUUUORDSA-N -1 0 371.415 -0.369 20 0 FBADRM COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000580192450 484340983 /nfs/dbraw/zinc/34/09/83/484340983.db2.gz ONYQTDUHTDGWKE-NEPJUHHUSA-N -1 0 350.327 -0.152 20 0 FBADRM COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000580192451 484340841 /nfs/dbraw/zinc/34/08/41/484340841.db2.gz ONYQTDUHTDGWKE-NWDGAFQWSA-N -1 0 350.327 -0.152 20 0 FBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000580192452 484340864 /nfs/dbraw/zinc/34/08/64/484340864.db2.gz ONYQTDUHTDGWKE-RYUDHWBXSA-N -1 0 350.327 -0.152 20 0 FBADRM COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000580192453 484342233 /nfs/dbraw/zinc/34/22/33/484342233.db2.gz ONYQTDUHTDGWKE-VXGBXAGGSA-N -1 0 350.327 -0.152 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)C[C@H]1c1ccccc1 ZINC000580192622 484342147 /nfs/dbraw/zinc/34/21/47/484342147.db2.gz XCFUPIUKNACWHW-XUWVNRHRSA-N -1 0 374.393 -0.061 20 0 FBADRM COc1ccc(NC(=O)C(=O)NCCCC(=O)[O-])cc1NS(C)(=O)=O ZINC000580194351 484342699 /nfs/dbraw/zinc/34/26/99/484342699.db2.gz JUGLHWQIXCQBBA-UHFFFAOYSA-N -1 0 373.387 -0.014 20 0 FBADRM C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@@H]1C(=O)[O-] ZINC000580196308 484346152 /nfs/dbraw/zinc/34/61/52/484346152.db2.gz DPJPZWFCSXWRER-BDAKNGLRSA-N -1 0 373.387 -0.774 20 0 FBADRM C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@H]1C(=O)[O-] ZINC000580196309 484346276 /nfs/dbraw/zinc/34/62/76/484346276.db2.gz DPJPZWFCSXWRER-DTWKUNHWSA-N -1 0 373.387 -0.774 20 0 FBADRM C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@@H]1C(=O)[O-] ZINC000580196310 484346475 /nfs/dbraw/zinc/34/64/75/484346475.db2.gz DPJPZWFCSXWRER-IUCAKERBSA-N -1 0 373.387 -0.774 20 0 FBADRM C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@H]1C(=O)[O-] ZINC000580196311 484346021 /nfs/dbraw/zinc/34/60/21/484346021.db2.gz DPJPZWFCSXWRER-RKDXNWHRSA-N -1 0 373.387 -0.774 20 0 FBADRM CS(=O)(=O)c1ccc(F)c(CNC(=O)C(=O)NCCCC(=O)[O-])c1 ZINC000580196562 484344559 /nfs/dbraw/zinc/34/45/59/484344559.db2.gz SHGQOCIEVRZQAP-UHFFFAOYSA-N -1 0 360.363 -0.174 20 0 FBADRM C[C@H](CNc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O)C(=O)[O-] ZINC000580196768 484344826 /nfs/dbraw/zinc/34/48/26/484344826.db2.gz BDPAVXRMMFKOJC-MRVPVSSYSA-N -1 0 365.433 -0.283 20 0 FBADRM C[C@@H](CNc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O)C(=O)[O-] ZINC000580196769 484344388 /nfs/dbraw/zinc/34/43/88/484344388.db2.gz BDPAVXRMMFKOJC-QMMMGPOBSA-N -1 0 365.433 -0.283 20 0 FBADRM CC(=O)NC[C@@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CCO1 ZINC000580202652 484364657 /nfs/dbraw/zinc/36/46/57/484364657.db2.gz MRSGHGUOXMSLBT-CYBMUJFWSA-N -1 0 356.400 -0.161 20 0 FBADRM CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CCO1 ZINC000580202653 484364908 /nfs/dbraw/zinc/36/49/08/484364908.db2.gz MRSGHGUOXMSLBT-ZDUSSCGKSA-N -1 0 356.400 -0.161 20 0 FBADRM COC[C@](C)(O)CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000580217215 484380491 /nfs/dbraw/zinc/38/04/91/484380491.db2.gz WDUJDEDLINOGFC-CYBMUJFWSA-N -1 0 358.376 -0.498 20 0 FBADRM COC[C@@](C)(O)CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000580217216 484381012 /nfs/dbraw/zinc/38/10/12/484381012.db2.gz WDUJDEDLINOGFC-ZDUSSCGKSA-N -1 0 358.376 -0.498 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)CC1(C(=O)OC)CCCC1)C(=O)[O-] ZINC000580265473 484404825 /nfs/dbraw/zinc/40/48/25/484404825.db2.gz WURSGETVXOTPSJ-VIFPVBQESA-N -1 0 351.377 -0.345 20 0 FBADRM COc1ccnc(N2CCN(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])CC2)n1 ZINC000580308851 484440513 /nfs/dbraw/zinc/44/05/13/484440513.db2.gz ZRKVDHSICUDIFT-LLVKDONJSA-N -1 0 371.419 -0.599 20 0 FBADRM COc1ccnc(N2CCN(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])CC2)n1 ZINC000580308852 484440661 /nfs/dbraw/zinc/44/06/61/484440661.db2.gz ZRKVDHSICUDIFT-NSHDSACASA-N -1 0 371.419 -0.599 20 0 FBADRM O=C([O-])CSCC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000580311368 484453465 /nfs/dbraw/zinc/45/34/65/484453465.db2.gz JNYCPXXQMXWHMQ-JTQLQIEISA-N -1 0 354.450 -0.591 20 0 FBADRM O=C([O-])CSCC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000580311369 484453724 /nfs/dbraw/zinc/45/37/24/484453724.db2.gz JNYCPXXQMXWHMQ-SNVBAGLBSA-N -1 0 354.450 -0.591 20 0 FBADRM COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000580311925 484455046 /nfs/dbraw/zinc/45/50/46/484455046.db2.gz WXFIYUUEAYMFGC-GRYCIOLGSA-N -1 0 372.443 -0.080 20 0 FBADRM COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000580311926 484454926 /nfs/dbraw/zinc/45/49/26/484454926.db2.gz WXFIYUUEAYMFGC-SDDRHHMPSA-N -1 0 372.443 -0.080 20 0 FBADRM COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000580311927 484454361 /nfs/dbraw/zinc/45/43/61/484454361.db2.gz WXFIYUUEAYMFGC-SRVKXCTJSA-N -1 0 372.443 -0.080 20 0 FBADRM COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000580311928 484454474 /nfs/dbraw/zinc/45/44/74/484454474.db2.gz WXFIYUUEAYMFGC-WOPDTQHZSA-N -1 0 372.443 -0.080 20 0 FBADRM COC(=O)CNS(=O)(=O)c1cccc(NC(=O)C2(C(=O)[O-])CC2)c1 ZINC000580315764 483424186 /nfs/dbraw/zinc/42/41/86/483424186.db2.gz NYQKHNCPYLCGBR-UHFFFAOYSA-N -1 0 356.356 -0.059 20 0 FBADRM Cc1oc(C)c(S(=O)(=O)N2CCN(c3nnnn3C)CC2)c1C(=O)[O-] ZINC000580332380 483559346 /nfs/dbraw/zinc/55/93/46/483559346.db2.gz RQPCMHIAMBGGHF-UHFFFAOYSA-N -1 0 370.391 -0.371 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@H](Cc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000580333132 483583012 /nfs/dbraw/zinc/58/30/12/483583012.db2.gz NMJMGAPULWECSH-GXSJLCMTSA-N -1 0 372.399 -0.193 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](Cc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000580333136 483583404 /nfs/dbraw/zinc/58/34/04/483583404.db2.gz NMJMGAPULWECSH-KOLCDFICSA-N -1 0 372.399 -0.193 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H](Cc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000580333137 483582479 /nfs/dbraw/zinc/58/24/79/483582479.db2.gz NMJMGAPULWECSH-MWLCHTKSSA-N -1 0 372.399 -0.193 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](Cc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000580333139 483582585 /nfs/dbraw/zinc/58/25/85/483582585.db2.gz NMJMGAPULWECSH-ONGXEEELSA-N -1 0 372.399 -0.193 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000580333491 483591848 /nfs/dbraw/zinc/59/18/48/483591848.db2.gz UXIXPHXEVASBLV-UHFFFAOYSA-N -1 0 368.477 -0.168 20 0 FBADRM COc1ncnc(OC)c1C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000580384000 484488796 /nfs/dbraw/zinc/48/87/96/484488796.db2.gz ODMLEAXBKBXRPZ-GXSJLCMTSA-N -1 0 366.374 -0.066 20 0 FBADRM COc1ncnc(OC)c1C(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000580384001 484488735 /nfs/dbraw/zinc/48/87/35/484488735.db2.gz ODMLEAXBKBXRPZ-KOLCDFICSA-N -1 0 366.374 -0.066 20 0 FBADRM COc1ncnc(OC)c1C(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000580384002 484488773 /nfs/dbraw/zinc/48/87/73/484488773.db2.gz ODMLEAXBKBXRPZ-MWLCHTKSSA-N -1 0 366.374 -0.066 20 0 FBADRM COc1ncnc(OC)c1C(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000580384003 484488693 /nfs/dbraw/zinc/48/86/93/484488693.db2.gz ODMLEAXBKBXRPZ-ONGXEEELSA-N -1 0 366.374 -0.066 20 0 FBADRM COC(=O)c1cncc(S(=O)(=O)[N-]c2cnc(C(=O)OC)cn2)c1 ZINC000580390404 484296256 /nfs/dbraw/zinc/29/62/56/484296256.db2.gz VBJXHVIRMOKBDS-UHFFFAOYSA-N -1 0 352.328 0.246 20 0 FBADRM C/C=C/C[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000580428579 485002378 /nfs/dbraw/zinc/00/23/78/485002378.db2.gz VEKPFLLZBNRWTP-AAOUONPWSA-N -1 0 368.477 -0.003 20 0 FBADRM C/C=C\C[C@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000580428580 485002238 /nfs/dbraw/zinc/00/22/38/485002238.db2.gz VEKPFLLZBNRWTP-MVZIDQBPSA-N -1 0 368.477 -0.003 20 0 FBADRM C/C=C/C[C@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000580428581 485001842 /nfs/dbraw/zinc/00/18/42/485001842.db2.gz VEKPFLLZBNRWTP-PCAWENJQSA-N -1 0 368.477 -0.003 20 0 FBADRM C/C=C\C[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000580428582 485001930 /nfs/dbraw/zinc/00/19/30/485001930.db2.gz VEKPFLLZBNRWTP-VSQXVHSFSA-N -1 0 368.477 -0.003 20 0 FBADRM CN(C)C(=O)CCNC(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000580431300 485000864 /nfs/dbraw/zinc/00/08/64/485000864.db2.gz INPDWMDGPDPERC-KGLIPLIRSA-N -1 0 361.398 -0.092 20 0 FBADRM Cc1ccsc1-c1nc(=NC(=O)C(=O)NC(C)(CO)CO)s[n-]1 ZINC000580438065 485003597 /nfs/dbraw/zinc/00/35/97/485003597.db2.gz KAGPTGUSFNFNTP-UHFFFAOYSA-N -1 0 356.429 -0.205 20 0 FBADRM CC(CO)(CO)CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000580455359 485010153 /nfs/dbraw/zinc/01/01/53/485010153.db2.gz CNSGTPUHLXEFTN-UHFFFAOYSA-N -1 0 372.443 -0.103 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])CCCC1 ZINC000580504723 484254315 /nfs/dbraw/zinc/25/43/15/484254315.db2.gz IAIMJDAVNNVVKZ-MGUXCZDKSA-N -1 0 367.445 -0.433 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])CCCC1 ZINC000580504724 484254664 /nfs/dbraw/zinc/25/46/64/484254664.db2.gz IAIMJDAVNNVVKZ-MLMJSJRWSA-N -1 0 367.445 -0.433 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])CCCC1 ZINC000580504725 484255064 /nfs/dbraw/zinc/25/50/64/484255064.db2.gz IAIMJDAVNNVVKZ-STFLBKPXSA-N -1 0 367.445 -0.433 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])CCCC1 ZINC000580504726 484254111 /nfs/dbraw/zinc/25/41/11/484254111.db2.gz IAIMJDAVNNVVKZ-ZQJOYCHOSA-N -1 0 367.445 -0.433 20 0 FBADRM COc1cc(C)c(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1OC ZINC000580513915 485333959 /nfs/dbraw/zinc/33/39/59/485333959.db2.gz UAXNZBZSRUSWID-UHFFFAOYSA-N -1 0 360.388 -0.119 20 0 FBADRM Cc1oc(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)cc1C(=O)[O-] ZINC000580548097 484089470 /nfs/dbraw/zinc/08/94/70/484089470.db2.gz CXRSVPYDOKWLOY-UHFFFAOYSA-N -1 0 366.417 -0.011 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC3(CNC(=O)C3)CC2)C[C@@H]1C(=O)[O-] ZINC000580551142 484090724 /nfs/dbraw/zinc/09/07/24/484090724.db2.gz BSSHOHDXWUDKEQ-NEPJUHHUSA-N -1 0 351.403 -0.316 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC3(CNC(=O)C3)CC2)C[C@H]1C(=O)[O-] ZINC000580551143 484091514 /nfs/dbraw/zinc/09/15/14/484091514.db2.gz BSSHOHDXWUDKEQ-NWDGAFQWSA-N -1 0 351.403 -0.316 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC3(CNC(=O)C3)CC2)C[C@@H]1C(=O)[O-] ZINC000580551144 484091674 /nfs/dbraw/zinc/09/16/74/484091674.db2.gz BSSHOHDXWUDKEQ-RYUDHWBXSA-N -1 0 351.403 -0.316 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC3(CNC(=O)C3)CC2)C[C@H]1C(=O)[O-] ZINC000580551145 484091235 /nfs/dbraw/zinc/09/12/35/484091235.db2.gz BSSHOHDXWUDKEQ-VXGBXAGGSA-N -1 0 351.403 -0.316 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)c1 ZINC000580554571 484091598 /nfs/dbraw/zinc/09/15/98/484091598.db2.gz XYERUZVGDYOYHV-POUGUFFASA-N -1 0 352.412 -0.081 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)c1 ZINC000580554572 484091716 /nfs/dbraw/zinc/09/17/16/484091716.db2.gz XYERUZVGDYOYHV-XACMVJRISA-N -1 0 352.412 -0.081 20 0 FBADRM Cc1oc(C)c(S(=O)(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1C(=O)[O-] ZINC000580559346 484091790 /nfs/dbraw/zinc/09/17/90/484091790.db2.gz CEMVLYDFAISQMK-SECBINFHSA-N -1 0 366.417 -0.093 20 0 FBADRM Cc1oc(C)c(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1C(=O)[O-] ZINC000580559347 484091868 /nfs/dbraw/zinc/09/18/68/484091868.db2.gz CEMVLYDFAISQMK-VIFPVBQESA-N -1 0 366.417 -0.093 20 0 FBADRM O=C([O-])[C@@H](CF)NS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000580559427 484091026 /nfs/dbraw/zinc/09/10/26/484091026.db2.gz GNGVIQCPBJXLNQ-SECBINFHSA-N -1 0 366.392 -0.172 20 0 FBADRM O=C([O-])[C@H](CF)NS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000580559428 484091580 /nfs/dbraw/zinc/09/15/80/484091580.db2.gz GNGVIQCPBJXLNQ-VIFPVBQESA-N -1 0 366.392 -0.172 20 0 FBADRM CCN(CCCNS(=O)(=O)c1cc(C(=O)[O-])co1)S(C)(=O)=O ZINC000580559552 484091296 /nfs/dbraw/zinc/09/12/96/484091296.db2.gz NBGPTWSWAVEPQD-UHFFFAOYSA-N -1 0 354.406 -0.072 20 0 FBADRM CN(C1CCN(S(C)(=O)=O)CC1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000580559601 484090985 /nfs/dbraw/zinc/09/09/85/484090985.db2.gz QKABTELACDQKCL-UHFFFAOYSA-N -1 0 365.433 -0.243 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(NCCCC(=O)[O-])c(S(N)(=O)=O)c1 ZINC000580564362 484093444 /nfs/dbraw/zinc/09/34/44/484093444.db2.gz WABRZVCASVXAIC-UHFFFAOYSA-N -1 0 365.433 -0.139 20 0 FBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000580568018 484093257 /nfs/dbraw/zinc/09/32/57/484093257.db2.gz SGHTXBASWHXZSK-KYEXWDHISA-N -1 0 354.403 -0.181 20 0 FBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000580568019 484093406 /nfs/dbraw/zinc/09/34/06/484093406.db2.gz SGHTXBASWHXZSK-PWNZVWSESA-N -1 0 354.403 -0.181 20 0 FBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000580568020 484093543 /nfs/dbraw/zinc/09/35/43/484093543.db2.gz SGHTXBASWHXZSK-RMRHIDDWSA-N -1 0 354.403 -0.181 20 0 FBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000580568021 484093520 /nfs/dbraw/zinc/09/35/20/484093520.db2.gz SGHTXBASWHXZSK-SFDCQRBFSA-N -1 0 354.403 -0.181 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cc1C(N)=O ZINC000580635709 484102225 /nfs/dbraw/zinc/10/22/25/484102225.db2.gz DIEMRSLPAJUAFD-MRVPVSSYSA-N -1 0 354.392 -0.484 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cc1C(N)=O ZINC000580635710 484101399 /nfs/dbraw/zinc/10/13/99/484101399.db2.gz DIEMRSLPAJUAFD-QMMMGPOBSA-N -1 0 354.392 -0.484 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)cn1C ZINC000580648625 484103196 /nfs/dbraw/zinc/10/31/96/484103196.db2.gz JAUYGSXGZADYRS-UHFFFAOYSA-N -1 0 356.404 -0.574 20 0 FBADRM CCSc1n[n-]c(=NC(=O)c2nc(N)nc(N3CCOCC3)n2)s1 ZINC000580650466 484513283 /nfs/dbraw/zinc/51/32/83/484513283.db2.gz INRWIHNQGZUMCR-UHFFFAOYSA-N -1 0 368.448 -0.072 20 0 FBADRM COC(=O)c1ccc(F)cc1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000580687868 484108487 /nfs/dbraw/zinc/10/84/87/484108487.db2.gz GNPVTGYVPPAHAD-UHFFFAOYSA-N -1 0 372.334 -0.120 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CCOCC1CCCC1 ZINC000580703459 484401740 /nfs/dbraw/zinc/40/17/40/484401740.db2.gz KTWNAVROTMMGMG-GFCCVEGCSA-N -1 0 369.461 -0.293 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CCOCC1CCCC1 ZINC000580703460 484401657 /nfs/dbraw/zinc/40/16/57/484401657.db2.gz KTWNAVROTMMGMG-LBPRGKRZSA-N -1 0 369.461 -0.293 20 0 FBADRM CS(=O)(=O)N1CCCN(S(=O)(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC000580712376 484310468 /nfs/dbraw/zinc/31/04/68/484310468.db2.gz BTLDZNZJTFGSKY-UHFFFAOYSA-N -1 0 363.417 -0.564 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000580712563 484320267 /nfs/dbraw/zinc/32/02/67/484320267.db2.gz KZAAZMBRBXFLQH-MRVPVSSYSA-N -1 0 352.390 -0.402 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000580712564 484319715 /nfs/dbraw/zinc/31/97/15/484319715.db2.gz KZAAZMBRBXFLQH-QMMMGPOBSA-N -1 0 352.390 -0.402 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2cncc(C(=O)[O-])c2)C1 ZINC000580712928 484289610 /nfs/dbraw/zinc/28/96/10/484289610.db2.gz UXIJDTKMFCVCOF-JTQLQIEISA-N -1 0 363.417 -0.518 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2cncc(C(=O)[O-])c2)C1 ZINC000580712930 484289078 /nfs/dbraw/zinc/28/90/78/484289078.db2.gz UXIJDTKMFCVCOF-SNVBAGLBSA-N -1 0 363.417 -0.518 20 0 FBADRM NS(=O)(=O)c1ccc(N2CCO[C@H](Cn3cncn3)C2)c(C(=O)[O-])c1 ZINC000580716790 484288969 /nfs/dbraw/zinc/28/89/69/484288969.db2.gz NKDWSBGRIIHFHM-JTQLQIEISA-N -1 0 367.387 -0.471 20 0 FBADRM NS(=O)(=O)c1ccc(N2CCO[C@@H](Cn3cncn3)C2)c(C(=O)[O-])c1 ZINC000580716791 484288868 /nfs/dbraw/zinc/28/88/68/484288868.db2.gz NKDWSBGRIIHFHM-SNVBAGLBSA-N -1 0 367.387 -0.471 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CCS1(=O)=O ZINC000580768238 484292470 /nfs/dbraw/zinc/29/24/70/484292470.db2.gz CKWYFWNAUNAKHH-AAEUAGOBSA-N -1 0 366.395 -0.250 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CCS1(=O)=O ZINC000580768239 484293115 /nfs/dbraw/zinc/29/31/15/484293115.db2.gz CKWYFWNAUNAKHH-DGCLKSJQSA-N -1 0 366.395 -0.250 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CCS1(=O)=O ZINC000580768240 484293019 /nfs/dbraw/zinc/29/30/19/484293019.db2.gz CKWYFWNAUNAKHH-WCQYABFASA-N -1 0 366.395 -0.250 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CCS1(=O)=O ZINC000580768241 484292586 /nfs/dbraw/zinc/29/25/86/484292586.db2.gz CKWYFWNAUNAKHH-YPMHNXCESA-N -1 0 366.395 -0.250 20 0 FBADRM O=C([O-])[C@@]1(NS(=O)(=O)c2cccc(-n3cnnn3)c2)CCSC1 ZINC000580771757 484292595 /nfs/dbraw/zinc/29/25/95/484292595.db2.gz MFCZKFFRQXJIPM-GFCCVEGCSA-N -1 0 355.401 -0.099 20 0 FBADRM O=C([O-])[C@]1(NS(=O)(=O)c2cccc(-n3cnnn3)c2)CCSC1 ZINC000580771758 484292784 /nfs/dbraw/zinc/29/27/84/484292784.db2.gz MFCZKFFRQXJIPM-LBPRGKRZSA-N -1 0 355.401 -0.099 20 0 FBADRM CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cccnc2C(=O)[O-])C1 ZINC000580772216 484292429 /nfs/dbraw/zinc/29/24/29/484292429.db2.gz XEQZCDUICBDRHT-SECBINFHSA-N -1 0 363.417 -0.518 20 0 FBADRM CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cccnc2C(=O)[O-])C1 ZINC000580772218 484292676 /nfs/dbraw/zinc/29/26/76/484292676.db2.gz XEQZCDUICBDRHT-VIFPVBQESA-N -1 0 363.417 -0.518 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC000580772329 484292963 /nfs/dbraw/zinc/29/29/63/484292963.db2.gz VLDKGMYBLSGADD-SECBINFHSA-N -1 0 363.417 -0.518 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC000580772330 484292718 /nfs/dbraw/zinc/29/27/18/484292718.db2.gz VLDKGMYBLSGADD-VIFPVBQESA-N -1 0 363.417 -0.518 20 0 FBADRM COc1ccc(NC(=O)C(=O)NCCCC(=O)[O-])cc1-n1nnnc1C ZINC000580774131 484292450 /nfs/dbraw/zinc/29/24/50/484292450.db2.gz OWIGVCHVQVHGDX-UHFFFAOYSA-N -1 0 362.346 -0.101 20 0 FBADRM COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cnc(C(=O)[O-])cn1 ZINC000580774475 484292913 /nfs/dbraw/zinc/29/29/13/484292913.db2.gz YNYAIJRWTAZJNX-VIFPVBQESA-N -1 0 352.347 -0.392 20 0 FBADRM O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1nn(-c2ccccc2F)cc1[O-] ZINC000580784326 484292256 /nfs/dbraw/zinc/29/22/56/484292256.db2.gz UPHLCFUVMPGSGH-BXKDBHETSA-N -1 0 355.347 -0.395 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000580788350 484293885 /nfs/dbraw/zinc/29/38/85/484293885.db2.gz PZXXEOAUFOMAQD-LLVKDONJSA-N -1 0 363.413 -0.127 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000580788351 484293733 /nfs/dbraw/zinc/29/37/33/484293733.db2.gz PZXXEOAUFOMAQD-NSHDSACASA-N -1 0 363.413 -0.127 20 0 FBADRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CNS(=O)(=O)NC)c1 ZINC000580790206 484293711 /nfs/dbraw/zinc/29/37/11/484293711.db2.gz MACGJUWLUJKMJG-UHFFFAOYSA-N -1 0 351.406 -0.822 20 0 FBADRM C[C@]1(c2ccc(CNC(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)cc2)NC(=O)NC1=O ZINC000580833488 484295716 /nfs/dbraw/zinc/29/57/16/484295716.db2.gz RGISAZNEYUVUPA-XWCIJXRUSA-N -1 0 361.354 -0.010 20 0 FBADRM O=C([O-])C1(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CCOCC1 ZINC000580835845 484294861 /nfs/dbraw/zinc/29/48/61/484294861.db2.gz PHEZJALDWPPCHS-UHFFFAOYSA-N -1 0 367.402 -0.839 20 0 FBADRM O=C([O-])CN(CCO)S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000580868558 484297019 /nfs/dbraw/zinc/29/70/19/484297019.db2.gz BMXTXESNBHFWGI-UHFFFAOYSA-N -1 0 350.736 -0.158 20 0 FBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CCC1CCOCC1 ZINC000580870102 484296988 /nfs/dbraw/zinc/29/69/88/484296988.db2.gz RWAHBDBYFIBJGJ-GFCCVEGCSA-N -1 0 369.461 -0.293 20 0 FBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CCC1CCOCC1 ZINC000580870103 484297623 /nfs/dbraw/zinc/29/76/23/484297623.db2.gz RWAHBDBYFIBJGJ-LBPRGKRZSA-N -1 0 369.461 -0.293 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@H]1C(=O)[O-] ZINC000580895161 484298261 /nfs/dbraw/zinc/29/82/61/484298261.db2.gz IZIOKVOODRLSLY-CMPLNLGQSA-N -1 0 368.477 -0.217 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@@H]1C(=O)[O-] ZINC000580895163 484298930 /nfs/dbraw/zinc/29/89/30/484298930.db2.gz IZIOKVOODRLSLY-JQWIXIFHSA-N -1 0 368.477 -0.217 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@@H]1C(=O)[O-] ZINC000580895164 484298089 /nfs/dbraw/zinc/29/80/89/484298089.db2.gz IZIOKVOODRLSLY-PWSUYJOCSA-N -1 0 368.477 -0.217 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@H]1C(=O)[O-] ZINC000580895166 484298250 /nfs/dbraw/zinc/29/82/50/484298250.db2.gz IZIOKVOODRLSLY-ZYHUDNBSSA-N -1 0 368.477 -0.217 20 0 FBADRM Cn1nnnc1N1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000580896470 484298214 /nfs/dbraw/zinc/29/82/14/484298214.db2.gz XEYDAKHJABLTKZ-UHFFFAOYSA-N -1 0 358.405 -0.519 20 0 FBADRM CN(Cc1nnnn1C)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000580923815 484300767 /nfs/dbraw/zinc/30/07/67/484300767.db2.gz NNBHNGJIJPUAHD-UHFFFAOYSA-N -1 0 360.346 -0.575 20 0 FBADRM C[C@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccnn2C)cc1 ZINC000580963226 484303729 /nfs/dbraw/zinc/30/37/29/484303729.db2.gz PJGSDLTXTUOSGZ-JTQLQIEISA-N -1 0 374.444 -0.120 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c(F)c1 ZINC000580977783 484304486 /nfs/dbraw/zinc/30/44/86/484304486.db2.gz IJPSXJZLXFGRFX-UHFFFAOYSA-N -1 0 372.334 -0.233 20 0 FBADRM O=C([O-])CN(C1CC1)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000580987175 484303627 /nfs/dbraw/zinc/30/36/27/484303627.db2.gz WOFDOSDSNOQDCO-UHFFFAOYSA-N -1 0 362.429 -0.156 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCCOCC(F)(F)F)CCS1(=O)=O ZINC000581006567 484303374 /nfs/dbraw/zinc/30/33/74/484303374.db2.gz FHKZJHCMEMWPJQ-MRVPVSSYSA-N -1 0 362.326 -0.151 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCCOCC(F)(F)F)CCS1(=O)=O ZINC000581006568 484304662 /nfs/dbraw/zinc/30/46/62/484304662.db2.gz FHKZJHCMEMWPJQ-QMMMGPOBSA-N -1 0 362.326 -0.151 20 0 FBADRM CC(C)(C)n1ncc2c1nc(N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)[nH]c2=O ZINC000581006694 484304081 /nfs/dbraw/zinc/30/40/81/484304081.db2.gz MBELTIBNLXPACO-SECBINFHSA-N -1 0 369.403 -0.025 20 0 FBADRM CC(C)(C)n1ncc2c1nc(N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)[nH]c2=O ZINC000581006695 484304276 /nfs/dbraw/zinc/30/42/76/484304276.db2.gz MBELTIBNLXPACO-VIFPVBQESA-N -1 0 369.403 -0.025 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC000581014724 484305498 /nfs/dbraw/zinc/30/54/98/484305498.db2.gz OWDOVUQHYAABQS-JTQLQIEISA-N -1 0 366.392 -0.164 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC000581014727 484305224 /nfs/dbraw/zinc/30/52/24/484305224.db2.gz OWDOVUQHYAABQS-SNVBAGLBSA-N -1 0 366.392 -0.164 20 0 FBADRM Cc1c(S(=O)(=O)[N-]c2ccn(CC(=O)N3CCOCC3)n2)cnn1C ZINC000581018181 484305748 /nfs/dbraw/zinc/30/57/48/484305748.db2.gz XSMBQSGCYGCZBM-UHFFFAOYSA-N -1 0 368.419 -0.415 20 0 FBADRM COC(=O)Cc1cccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC000581043980 484307567 /nfs/dbraw/zinc/30/75/67/484307567.db2.gz JMNIYKDVTDBRIJ-UHFFFAOYSA-N -1 0 368.371 -0.330 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1=O ZINC000581046618 484307703 /nfs/dbraw/zinc/30/77/03/484307703.db2.gz KPRIPSHTVSROTP-GRYCIOLGSA-N -1 0 354.407 -0.397 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1=O ZINC000581046619 484307766 /nfs/dbraw/zinc/30/77/66/484307766.db2.gz KPRIPSHTVSROTP-IJLUTSLNSA-N -1 0 354.407 -0.397 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1=O ZINC000581046620 484307723 /nfs/dbraw/zinc/30/77/23/484307723.db2.gz KPRIPSHTVSROTP-QJPTWQEYSA-N -1 0 354.407 -0.397 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1=O ZINC000581046621 484307646 /nfs/dbraw/zinc/30/76/46/484307646.db2.gz KPRIPSHTVSROTP-SDDRHHMPSA-N -1 0 354.407 -0.397 20 0 FBADRM CC[C@@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000581055203 484308053 /nfs/dbraw/zinc/30/80/53/484308053.db2.gz ABCRLKNPFQEHSE-GFCCVEGCSA-N -1 0 371.415 -0.354 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N[C@H]1C[C@H]3CCCCN3C1=O)C2 ZINC000581064548 484308008 /nfs/dbraw/zinc/30/80/08/484308008.db2.gz NQSHYIJNSUPCSQ-CVXDAYKESA-N -1 0 363.414 -0.031 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N[C@@H]1C[C@H]3CCCCN3C1=O)C2 ZINC000581064549 484307729 /nfs/dbraw/zinc/30/77/29/484307729.db2.gz NQSHYIJNSUPCSQ-NVAPZFDKSA-N -1 0 363.414 -0.031 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N[C@H]1C[C@@H]3CCCCN3C1=O)C2 ZINC000581064550 484307279 /nfs/dbraw/zinc/30/72/79/484307279.db2.gz NQSHYIJNSUPCSQ-PAKFGRKTSA-N -1 0 363.414 -0.031 20 0 FBADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)N[C@@H]1C[C@@H]3CCCCN3C1=O)C2 ZINC000581064551 484307883 /nfs/dbraw/zinc/30/78/83/484307883.db2.gz NQSHYIJNSUPCSQ-ZVZLLHMNSA-N -1 0 363.414 -0.031 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)NCCCCC(=O)[O-])CC1 ZINC000581070056 484308691 /nfs/dbraw/zinc/30/86/91/484308691.db2.gz NYJGLIBISFWIDD-UHFFFAOYSA-N -1 0 356.466 -0.168 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)[O-] ZINC000581073666 484309373 /nfs/dbraw/zinc/30/93/73/484309373.db2.gz INLXEYRCSLTZBB-NXEZZACHSA-N -1 0 366.436 -0.042 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)[O-] ZINC000581073684 484309653 /nfs/dbraw/zinc/30/96/53/484309653.db2.gz INLXEYRCSLTZBB-VHSXEESVSA-N -1 0 366.436 -0.042 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])cc1OC ZINC000581107203 484310626 /nfs/dbraw/zinc/31/06/26/484310626.db2.gz YLHTXFNJWJTGFD-MGUXCZDKSA-N -1 0 363.413 -0.090 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])cc1OC ZINC000581107225 484311060 /nfs/dbraw/zinc/31/10/60/484311060.db2.gz YLHTXFNJWJTGFD-MLMJSJRWSA-N -1 0 363.413 -0.090 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])cc1OC ZINC000581107226 484310305 /nfs/dbraw/zinc/31/03/05/484310305.db2.gz YLHTXFNJWJTGFD-STFLBKPXSA-N -1 0 363.413 -0.090 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])cc1OC ZINC000581107227 484310792 /nfs/dbraw/zinc/31/07/92/484310792.db2.gz YLHTXFNJWJTGFD-ZQJOYCHOSA-N -1 0 363.413 -0.090 20 0 FBADRM CC(=O)Nc1ccncc1[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000581111395 484310091 /nfs/dbraw/zinc/31/00/91/484310091.db2.gz VGOWNESSVGTOKH-UHFFFAOYSA-N -1 0 370.412 -0.090 20 0 FBADRM CCN(C(=O)CNS(=O)(=O)c1ccccc1F)[C@H]1CC(=O)NC1=O ZINC000581133579 484310580 /nfs/dbraw/zinc/31/05/80/484310580.db2.gz FJZYSWPSZCVIMS-JTQLQIEISA-N -1 0 357.363 -0.632 20 0 FBADRM CCN(C(=O)CNS(=O)(=O)c1ccccc1F)[C@@H]1CC(=O)NC1=O ZINC000581133580 484311113 /nfs/dbraw/zinc/31/11/13/484311113.db2.gz FJZYSWPSZCVIMS-SNVBAGLBSA-N -1 0 357.363 -0.632 20 0 FBADRM CC[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)C(=O)[O-] ZINC000581168116 484311789 /nfs/dbraw/zinc/31/17/89/484311789.db2.gz LDCYEVDJYNTJGA-MRVPVSSYSA-N -1 0 351.344 -0.309 20 0 FBADRM O=C([O-])c1ccc2c(c1)NC(=O)CN2C(=O)N1CCS(=O)(=O)CC1 ZINC000581168903 484312387 /nfs/dbraw/zinc/31/23/87/484312387.db2.gz KTTLIHUJGNXURW-UHFFFAOYSA-N -1 0 353.356 -0.006 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000581169174 484312326 /nfs/dbraw/zinc/31/23/26/484312326.db2.gz ZVVUFNSCACTKBK-GFCCVEGCSA-N -1 0 365.452 -0.163 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000581169176 484312230 /nfs/dbraw/zinc/31/22/30/484312230.db2.gz ZVVUFNSCACTKBK-LBPRGKRZSA-N -1 0 365.452 -0.163 20 0 FBADRM CN1C(=O)NC2(CCN(C(=O)C(=O)Nc3cccc(C(=O)[O-])c3)CC2)C1=O ZINC000581191138 484313509 /nfs/dbraw/zinc/31/35/09/484313509.db2.gz MENYUJWOLOTHMR-UHFFFAOYSA-N -1 0 374.353 -0.134 20 0 FBADRM C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C[C@H]1C(=O)[O-] ZINC000581191304 484313662 /nfs/dbraw/zinc/31/36/62/484313662.db2.gz VYTDAAISNAWNQM-FDYHWXHSSA-N -1 0 372.443 -0.409 20 0 FBADRM C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C[C@H]1C(=O)[O-] ZINC000581191305 484312977 /nfs/dbraw/zinc/31/29/77/484312977.db2.gz VYTDAAISNAWNQM-FVCCEPFGSA-N -1 0 372.443 -0.409 20 0 FBADRM C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C[C@@H]1C(=O)[O-] ZINC000581191306 484313654 /nfs/dbraw/zinc/31/36/54/484313654.db2.gz VYTDAAISNAWNQM-LPWJVIDDSA-N -1 0 372.443 -0.409 20 0 FBADRM C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C[C@@H]1C(=O)[O-] ZINC000581191307 484313482 /nfs/dbraw/zinc/31/34/82/484313482.db2.gz VYTDAAISNAWNQM-NDBYEHHHSA-N -1 0 372.443 -0.409 20 0 FBADRM CN(CC(N)=O)S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)F)cc1 ZINC000581201245 484313226 /nfs/dbraw/zinc/31/32/26/484313226.db2.gz WUMPLNKOWFEUJX-UHFFFAOYSA-N -1 0 371.387 -0.664 20 0 FBADRM CN(C)c1nc(C(=O)N2CCC(n3cnc(C(N)=O)c3N)CC2)cc(=O)[nH]1 ZINC000581201566 484313564 /nfs/dbraw/zinc/31/35/64/484313564.db2.gz WTJHJTLTPXTFDX-UHFFFAOYSA-N -1 0 374.405 -0.397 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000581228903 484315687 /nfs/dbraw/zinc/31/56/87/484315687.db2.gz NZGHEEAASQMSEF-GWCFXTLKSA-N -1 0 350.393 -0.851 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000581228904 484315756 /nfs/dbraw/zinc/31/57/56/484315756.db2.gz NZGHEEAASQMSEF-GXFFZTMASA-N -1 0 350.393 -0.851 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC000581228905 484314878 /nfs/dbraw/zinc/31/48/78/484314878.db2.gz NZGHEEAASQMSEF-MFKMUULPSA-N -1 0 350.393 -0.851 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC000581228906 484315139 /nfs/dbraw/zinc/31/51/39/484315139.db2.gz NZGHEEAASQMSEF-ZWNOBZJWSA-N -1 0 350.393 -0.851 20 0 FBADRM CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000581249021 484317868 /nfs/dbraw/zinc/31/78/68/484317868.db2.gz UZMMUSRMQUDJIR-SSDOTTSWSA-N -1 0 369.446 -0.456 20 0 FBADRM CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000581249026 484316796 /nfs/dbraw/zinc/31/67/96/484316796.db2.gz UZMMUSRMQUDJIR-ZETCQYMHSA-N -1 0 369.446 -0.456 20 0 FBADRM CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)c2cncc(C(=O)[O-])c2)C1 ZINC000581249028 484317762 /nfs/dbraw/zinc/31/77/62/484317762.db2.gz VBFNLXZDTVLFRA-SECBINFHSA-N -1 0 363.417 -0.660 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)c2cncc(C(=O)[O-])c2)C1 ZINC000581249030 484317202 /nfs/dbraw/zinc/31/72/02/484317202.db2.gz VBFNLXZDTVLFRA-VIFPVBQESA-N -1 0 363.417 -0.660 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000581250635 484317466 /nfs/dbraw/zinc/31/74/66/484317466.db2.gz LHHIIEUCQQBAOD-GFCCVEGCSA-N -1 0 369.399 -0.137 20 0 FBADRM CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H](C)C(=O)[O-])CC1 ZINC000581250856 484317700 /nfs/dbraw/zinc/31/77/00/484317700.db2.gz QBEXRDAYPRYEKR-LLVKDONJSA-N -1 0 355.416 -0.036 20 0 FBADRM CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H](C)C(=O)[O-])CC1 ZINC000581250863 484316571 /nfs/dbraw/zinc/31/65/71/484316571.db2.gz QBEXRDAYPRYEKR-NSHDSACASA-N -1 0 355.416 -0.036 20 0 FBADRM CC(C)(CCNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1)C(=O)[O-] ZINC000581256685 484317753 /nfs/dbraw/zinc/31/77/53/484317753.db2.gz GYOZEHNPTHWLQG-UHFFFAOYSA-N -1 0 360.370 -0.072 20 0 FBADRM COC(=O)C1(CS(=O)(=O)NC[C@@H](Cc2cnn(C)c2)C(=O)[O-])CCC1 ZINC000581284440 484318205 /nfs/dbraw/zinc/31/82/05/484318205.db2.gz JCLYEWGVHSAHDB-GFCCVEGCSA-N -1 0 373.431 -0.074 20 0 FBADRM COC(=O)C1(CS(=O)(=O)NC[C@H](Cc2cnn(C)c2)C(=O)[O-])CCC1 ZINC000581284441 484318325 /nfs/dbraw/zinc/31/83/25/484318325.db2.gz JCLYEWGVHSAHDB-LBPRGKRZSA-N -1 0 373.431 -0.074 20 0 FBADRM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)nc1 ZINC000581285598 484318873 /nfs/dbraw/zinc/31/88/73/484318873.db2.gz RVNJPICALKPDMM-UHFFFAOYSA-N -1 0 370.412 -0.111 20 0 FBADRM CS(=O)(=O)N1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000581308201 484320011 /nfs/dbraw/zinc/32/00/11/484320011.db2.gz AYZGSXIMJQLEID-UHFFFAOYSA-N -1 0 351.406 -0.631 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC000581310497 484320673 /nfs/dbraw/zinc/32/06/73/484320673.db2.gz DZDIETYLZSSARV-NEPJUHHUSA-N -1 0 354.407 -0.619 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)C[C@H]1C(=O)[O-] ZINC000581310498 484319659 /nfs/dbraw/zinc/31/96/59/484319659.db2.gz DZDIETYLZSSARV-NWDGAFQWSA-N -1 0 354.407 -0.619 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC000581310499 484320102 /nfs/dbraw/zinc/32/01/02/484320102.db2.gz DZDIETYLZSSARV-RYUDHWBXSA-N -1 0 354.407 -0.619 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)C[C@H]1C(=O)[O-] ZINC000581310500 484320003 /nfs/dbraw/zinc/32/00/03/484320003.db2.gz DZDIETYLZSSARV-VXGBXAGGSA-N -1 0 354.407 -0.619 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])cc1 ZINC000581314429 484319862 /nfs/dbraw/zinc/31/98/62/484319862.db2.gz QISFPANNWPFNSN-HNNXBMFYSA-N -1 0 358.416 -0.061 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])cc1 ZINC000581314430 484320255 /nfs/dbraw/zinc/32/02/55/484320255.db2.gz QISFPANNWPFNSN-OAHLLOKOSA-N -1 0 358.416 -0.061 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c(F)c1 ZINC000581334995 484321992 /nfs/dbraw/zinc/32/19/92/484321992.db2.gz QQHRBNQPIILWIJ-VIFPVBQESA-N -1 0 362.335 -0.391 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CCN1S(C)(=O)=O ZINC000581367739 484322648 /nfs/dbraw/zinc/32/26/48/484322648.db2.gz QMYRTFSBSWZRKN-QMMMGPOBSA-N -1 0 352.390 -0.368 20 0 FBADRM O=c1[n-]c(CN2CCN(S(=O)(=O)NCc3ccccc3)CC2)n[nH]1 ZINC000581373147 484323281 /nfs/dbraw/zinc/32/32/81/484323281.db2.gz KRVHZISMCLWJQS-UHFFFAOYSA-N -1 0 352.420 -0.338 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)[N-]c2nnc(C3CC3)s2)o1 ZINC000581401189 484190380 /nfs/dbraw/zinc/19/03/80/484190380.db2.gz VLBMWMFFZRPNOJ-UHFFFAOYSA-N -1 0 371.400 0.024 20 0 FBADRM CCOC[C@@H](NS(=O)(=O)c1cccc(-c2nnnn2C)c1)C(=O)[O-] ZINC000581403426 484326977 /nfs/dbraw/zinc/32/69/77/484326977.db2.gz MJCGAYQYGNTDQI-LLVKDONJSA-N -1 0 355.376 -0.355 20 0 FBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000581432535 484328513 /nfs/dbraw/zinc/32/85/13/484328513.db2.gz BAMPABIQXHNZFL-MRVPVSSYSA-N -1 0 366.417 -0.148 20 0 FBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000581432536 484328122 /nfs/dbraw/zinc/32/81/22/484328122.db2.gz BAMPABIQXHNZFL-QMMMGPOBSA-N -1 0 366.417 -0.148 20 0 FBADRM CC(=O)NC[C@@H]1CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CCO1 ZINC000581432746 484328530 /nfs/dbraw/zinc/32/85/30/484328530.db2.gz IZJLLERHUNVLQZ-CYBMUJFWSA-N -1 0 372.399 -0.324 20 0 FBADRM CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CCO1 ZINC000581432747 484328909 /nfs/dbraw/zinc/32/89/09/484328909.db2.gz IZJLLERHUNVLQZ-ZDUSSCGKSA-N -1 0 372.399 -0.324 20 0 FBADRM CS(=O)(=O)N1CCC(NS(=O)(=O)CCCCCC(=O)[O-])CC1 ZINC000581487031 484331537 /nfs/dbraw/zinc/33/15/37/484331537.db2.gz OXTPNQIZSWKXKB-UHFFFAOYSA-N -1 0 356.466 -0.025 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cc(=O)n3ccccc3n2)C1 ZINC000581494237 484331154 /nfs/dbraw/zinc/33/11/54/484331154.db2.gz DBQMIQDUYWHTNO-NEPJUHHUSA-N -1 0 372.381 -0.120 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cc(=O)n3ccccc3n2)C1 ZINC000581494238 484332252 /nfs/dbraw/zinc/33/22/52/484332252.db2.gz DBQMIQDUYWHTNO-NWDGAFQWSA-N -1 0 372.381 -0.120 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cc(=O)n3ccccc3n2)C1 ZINC000581494239 484332266 /nfs/dbraw/zinc/33/22/66/484332266.db2.gz DBQMIQDUYWHTNO-RYUDHWBXSA-N -1 0 372.381 -0.120 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cc(=O)n3ccccc3n2)C1 ZINC000581494240 484331333 /nfs/dbraw/zinc/33/13/33/484331333.db2.gz DBQMIQDUYWHTNO-VXGBXAGGSA-N -1 0 372.381 -0.120 20 0 FBADRM O=S(=O)([N-]C[C@]1(O)CCS(=O)(=O)C1)c1c(F)cc(F)cc1F ZINC000581499775 484331990 /nfs/dbraw/zinc/33/19/90/484331990.db2.gz RUDKGVMEIOVWEW-LLVKDONJSA-N -1 0 359.347 -0.068 20 0 FBADRM O=S(=O)([N-]C[C@@]1(O)CCS(=O)(=O)C1)c1c(F)cc(F)cc1F ZINC000581499776 484331517 /nfs/dbraw/zinc/33/15/17/484331517.db2.gz RUDKGVMEIOVWEW-NSHDSACASA-N -1 0 359.347 -0.068 20 0 FBADRM O=C([O-])CNC(=O)CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O ZINC000581548674 484334691 /nfs/dbraw/zinc/33/46/91/484334691.db2.gz QSKDFSBHOWYOMI-UHFFFAOYSA-N -1 0 363.370 -0.053 20 0 FBADRM Cc1cc(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000581552200 484334972 /nfs/dbraw/zinc/33/49/72/484334972.db2.gz PGASLWVDZQFIPE-MRVPVSSYSA-N -1 0 367.387 -0.492 20 0 FBADRM Cc1cc(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000581552201 484334768 /nfs/dbraw/zinc/33/47/68/484334768.db2.gz PGASLWVDZQFIPE-QMMMGPOBSA-N -1 0 367.387 -0.492 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)CC1 ZINC000581552336 484335032 /nfs/dbraw/zinc/33/50/32/484335032.db2.gz UYFVHDHXWIWGGC-GFCCVEGCSA-N -1 0 368.477 -0.216 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N2CC[C@@H](CC(=O)[O-])C2)CC1 ZINC000581552337 484334918 /nfs/dbraw/zinc/33/49/18/484334918.db2.gz UYFVHDHXWIWGGC-LBPRGKRZSA-N -1 0 368.477 -0.216 20 0 FBADRM CO[C@H](C)c1nc(=NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)s[n-]1 ZINC000581555321 484334701 /nfs/dbraw/zinc/33/47/01/484334701.db2.gz LNSIPYFSHPHKGI-HTQZYQBOSA-N -1 0 374.448 -0.294 20 0 FBADRM CO[C@H](C)c1nc(=NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)s[n-]1 ZINC000581555322 484334645 /nfs/dbraw/zinc/33/46/45/484334645.db2.gz LNSIPYFSHPHKGI-JGVFFNPUSA-N -1 0 374.448 -0.294 20 0 FBADRM CO[C@@H](C)c1nc(=NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)s[n-]1 ZINC000581555323 484334687 /nfs/dbraw/zinc/33/46/87/484334687.db2.gz LNSIPYFSHPHKGI-SFYZADRCSA-N -1 0 374.448 -0.294 20 0 FBADRM CO[C@@H](C)c1nc(=NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)s[n-]1 ZINC000581555324 484335125 /nfs/dbraw/zinc/33/51/25/484335125.db2.gz LNSIPYFSHPHKGI-YUMQZZPRSA-N -1 0 374.448 -0.294 20 0 FBADRM O=C([O-])Cc1cccc(S(=O)(=O)NCCN2CCCS2(=O)=O)c1 ZINC000581605721 484337517 /nfs/dbraw/zinc/33/75/17/484337517.db2.gz VBZRDZIFWMNCLS-UHFFFAOYSA-N -1 0 362.429 -0.373 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000581605949 484338735 /nfs/dbraw/zinc/33/87/35/484338735.db2.gz JAEBAWRVPCLCPO-GHMZBOCLSA-N -1 0 372.465 -0.933 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000581605950 484337433 /nfs/dbraw/zinc/33/74/33/484337433.db2.gz JAEBAWRVPCLCPO-MNOVXSKESA-N -1 0 372.465 -0.933 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000581605951 484338073 /nfs/dbraw/zinc/33/80/73/484338073.db2.gz JAEBAWRVPCLCPO-QWRGUYRKSA-N -1 0 372.465 -0.933 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000581605952 484338798 /nfs/dbraw/zinc/33/87/98/484338798.db2.gz JAEBAWRVPCLCPO-WDEREUQCSA-N -1 0 372.465 -0.933 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000581610934 484541712 /nfs/dbraw/zinc/54/17/12/484541712.db2.gz HRHWOICSZTWXNQ-GHMZBOCLSA-N -1 0 355.372 -0.100 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000581610935 484541346 /nfs/dbraw/zinc/54/13/46/484541346.db2.gz HRHWOICSZTWXNQ-MNOVXSKESA-N -1 0 355.372 -0.100 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000581610936 484541461 /nfs/dbraw/zinc/54/14/61/484541461.db2.gz HRHWOICSZTWXNQ-QWRGUYRKSA-N -1 0 355.372 -0.100 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000581610937 484541955 /nfs/dbraw/zinc/54/19/55/484541955.db2.gz HRHWOICSZTWXNQ-WDEREUQCSA-N -1 0 355.372 -0.100 20 0 FBADRM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000581611017 484339476 /nfs/dbraw/zinc/33/94/76/484339476.db2.gz KZMNTIDSFZSHOU-UHFFFAOYSA-N -1 0 363.413 -0.259 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000581611345 484339231 /nfs/dbraw/zinc/33/92/31/484339231.db2.gz XAMICCVKGRRCKR-LURJTMIESA-N -1 0 355.419 -0.847 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000581611346 484339487 /nfs/dbraw/zinc/33/94/87/484339487.db2.gz XAMICCVKGRRCKR-ZCFIWIBFSA-N -1 0 355.419 -0.847 20 0 FBADRM NC(=O)Cn1cc(NS(=O)(=O)Cc2ccccc2CC(=O)[O-])cn1 ZINC000581639933 484340920 /nfs/dbraw/zinc/34/09/20/484340920.db2.gz OWAIWKBECJBIRO-UHFFFAOYSA-N -1 0 352.372 -0.063 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)CCO2)C(=O)[O-] ZINC000581651470 484341947 /nfs/dbraw/zinc/34/19/47/484341947.db2.gz ADFLCKZIUOVNLV-SNVBAGLBSA-N -1 0 357.340 -0.054 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1Cl ZINC000581660187 484343432 /nfs/dbraw/zinc/34/34/32/484343432.db2.gz QXXHPYSBDBJGOH-UHFFFAOYSA-N -1 0 363.779 -0.223 20 0 FBADRM CS(=O)(=O)N1CCCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000581667246 484343268 /nfs/dbraw/zinc/34/32/68/484343268.db2.gz XQDFXYQBBRHOOU-UHFFFAOYSA-N -1 0 369.399 -0.183 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1cccc(F)c1F ZINC000581670138 484343233 /nfs/dbraw/zinc/34/32/33/484343233.db2.gz SQNXMFHJAMRJAD-JTQLQIEISA-N -1 0 369.367 -0.022 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1cccc(F)c1F ZINC000581670139 484343421 /nfs/dbraw/zinc/34/34/21/484343421.db2.gz SQNXMFHJAMRJAD-SNVBAGLBSA-N -1 0 369.367 -0.022 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(N)(=O)=O)CC3)c1 ZINC000581670227 484343057 /nfs/dbraw/zinc/34/30/57/484343057.db2.gz WECNGDDFRFXBEI-UHFFFAOYSA-N -1 0 357.417 -0.213 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCOCCS(N)(=O)=O ZINC000581688235 484344585 /nfs/dbraw/zinc/34/45/85/484344585.db2.gz SRGRGMZBXUUMBN-UHFFFAOYSA-N -1 0 365.433 -0.907 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CC[C@]2(CNC(=O)C2)C1 ZINC000581698655 484344941 /nfs/dbraw/zinc/34/49/41/484344941.db2.gz QBGUTYWXTBDRCN-HNNXBMFYSA-N -1 0 373.381 -0.018 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000581698656 484344641 /nfs/dbraw/zinc/34/46/41/484344641.db2.gz QBGUTYWXTBDRCN-OAHLLOKOSA-N -1 0 373.381 -0.018 20 0 FBADRM NC(=O)CC[C@@H](NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1)C(=O)[O-] ZINC000581730184 484348245 /nfs/dbraw/zinc/34/82/45/484348245.db2.gz YUBVQNOWVSDZGK-GFCCVEGCSA-N -1 0 369.399 -0.424 20 0 FBADRM CCS(=O)(=O)NCCCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000581730190 484348207 /nfs/dbraw/zinc/34/82/07/484348207.db2.gz YYZVFZMCDJWDLJ-UHFFFAOYSA-N -1 0 364.445 -0.079 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)[C@@]23CCC(=O)N2CCS3)C1=O ZINC000581760877 484347622 /nfs/dbraw/zinc/34/76/22/484347622.db2.gz YWNFKFUTNVXMFR-IETSOEAISA-N -1 0 369.443 -0.122 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)[C@]23CCC(=O)N2CCS3)C1=O ZINC000581760878 484348143 /nfs/dbraw/zinc/34/81/43/484348143.db2.gz YWNFKFUTNVXMFR-KANYHAFZSA-N -1 0 369.443 -0.122 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)[C@]23CCC(=O)N2CCS3)C1=O ZINC000581760879 484347556 /nfs/dbraw/zinc/34/75/56/484347556.db2.gz YWNFKFUTNVXMFR-NSODJVPESA-N -1 0 369.443 -0.122 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)[C@@]23CCC(=O)N2CCS3)C1=O ZINC000581760880 484347939 /nfs/dbraw/zinc/34/79/39/484347939.db2.gz YWNFKFUTNVXMFR-SIVJFFJCSA-N -1 0 369.443 -0.122 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](Nc2ncccc2S(N)(=O)=O)C1=O ZINC000581775584 484349598 /nfs/dbraw/zinc/34/95/98/484349598.db2.gz JFSREZODHCFEMG-GXSJLCMTSA-N -1 0 356.404 -0.149 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](Nc2ncccc2S(N)(=O)=O)C1=O ZINC000581775585 484349896 /nfs/dbraw/zinc/34/98/96/484349896.db2.gz JFSREZODHCFEMG-KOLCDFICSA-N -1 0 356.404 -0.149 20 0 FBADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](Nc2ncccc2S(N)(=O)=O)C1=O ZINC000581775586 484350253 /nfs/dbraw/zinc/35/02/53/484350253.db2.gz JFSREZODHCFEMG-MWLCHTKSSA-N -1 0 356.404 -0.149 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](Nc2ncccc2S(N)(=O)=O)C1=O ZINC000581775587 484350130 /nfs/dbraw/zinc/35/01/30/484350130.db2.gz JFSREZODHCFEMG-ONGXEEELSA-N -1 0 356.404 -0.149 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)CC(=O)N1CCOCC1 ZINC000581778296 484350336 /nfs/dbraw/zinc/35/03/36/484350336.db2.gz GJYZYHPOGVUVGT-UHFFFAOYSA-N -1 0 372.399 -0.127 20 0 FBADRM CCN(CCCNS(=O)(=O)c1ccc(C(=O)[O-])nc1)S(C)(=O)=O ZINC000581820584 657447615 /nfs/dbraw/zinc/44/76/15/657447615.db2.gz MYZGJEMXPLWMSS-UHFFFAOYSA-N -1 0 365.433 -0.270 20 0 FBADRM Cc1cc(NC(=O)C2CCN(C(=O)C(=O)NCCCC(=O)[O-])CC2)no1 ZINC000581824317 484285314 /nfs/dbraw/zinc/28/53/14/484285314.db2.gz FRLALHNXCGXBPD-UHFFFAOYSA-N -1 0 366.374 0.141 20 0 FBADRM COc1cncnc1[N-]S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000581857752 484351722 /nfs/dbraw/zinc/35/17/22/484351722.db2.gz RMQIGFGDZVTALA-UHFFFAOYSA-N -1 0 364.343 -0.367 20 0 FBADRM CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000581884492 484353294 /nfs/dbraw/zinc/35/32/94/484353294.db2.gz LSAQFYZGNAXXFC-GZMMTYOYSA-N -1 0 357.388 -0.568 20 0 FBADRM CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000581884493 484352451 /nfs/dbraw/zinc/35/24/51/484352451.db2.gz LSAQFYZGNAXXFC-LDYMZIIASA-N -1 0 357.388 -0.568 20 0 FBADRM Cn1cc(NC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)c(=O)n(C)c1=O ZINC000581911650 484354541 /nfs/dbraw/zinc/35/45/41/484354541.db2.gz DWMNLVWGJHVJSR-UHFFFAOYSA-N -1 0 370.362 -0.153 20 0 FBADRM COc1cc([N-]S(=O)(=O)c2cc3c(cc2OC)NC(=O)CO3)nn1C ZINC000581919538 484418130 /nfs/dbraw/zinc/41/81/30/484418130.db2.gz BYXGIVBGQUTFFI-UHFFFAOYSA-N -1 0 368.371 0.569 20 0 FBADRM Cc1nn2cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cnc2c1Cl ZINC000581936796 484362137 /nfs/dbraw/zinc/36/21/37/484362137.db2.gz BCTVJJIGMGCWEU-ZETCQYMHSA-N -1 0 361.767 -0.702 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC(CC(=O)[O-])CC1 ZINC000581941356 484363683 /nfs/dbraw/zinc/36/36/83/484363683.db2.gz CXFGLFYBVCIZIC-UHFFFAOYSA-N -1 0 356.466 -0.216 20 0 FBADRM O=C([O-])[C@H]1Cc2cc(S(=O)(=O)N3CCS(=O)(=O)CC3)ccc2O1 ZINC000581941446 484363763 /nfs/dbraw/zinc/36/37/63/484363763.db2.gz JQYSTJWLAYXWAG-GFCCVEGCSA-N -1 0 361.397 -0.506 20 0 FBADRM O=C([O-])[C@@H]1Cc2cc(S(=O)(=O)N3CCS(=O)(=O)CC3)ccc2O1 ZINC000581941447 484363721 /nfs/dbraw/zinc/36/37/21/484363721.db2.gz JQYSTJWLAYXWAG-LBPRGKRZSA-N -1 0 361.397 -0.506 20 0 FBADRM CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)[O-] ZINC000581943915 484363647 /nfs/dbraw/zinc/36/36/47/484363647.db2.gz HHWKRBBSRSLALL-SNVBAGLBSA-N -1 0 360.388 -0.039 20 0 FBADRM CCn1c2ccc(S(=O)(=O)NCCc3nc(=O)o[n-]3)cc2oc1=O ZINC000581972996 484373748 /nfs/dbraw/zinc/37/37/48/484373748.db2.gz RMWQPGLDVCZBNR-UHFFFAOYSA-N -1 0 354.344 -0.188 20 0 FBADRM O=C([O-])[C@H](O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 ZINC000581978318 484373885 /nfs/dbraw/zinc/37/38/85/484373885.db2.gz PUNBDHXQVSIRPB-BXUZGUMPSA-N -1 0 368.411 -0.181 20 0 FBADRM O=C([O-])[C@@H](O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 ZINC000581978319 484373358 /nfs/dbraw/zinc/37/33/58/484373358.db2.gz PUNBDHXQVSIRPB-FZMZJTMJSA-N -1 0 368.411 -0.181 20 0 FBADRM O=C([O-])[C@@H](O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 ZINC000581978320 484373311 /nfs/dbraw/zinc/37/33/11/484373311.db2.gz PUNBDHXQVSIRPB-RISCZKNCSA-N -1 0 368.411 -0.181 20 0 FBADRM O=C([O-])[C@H](O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 ZINC000581978321 484373945 /nfs/dbraw/zinc/37/39/45/484373945.db2.gz PUNBDHXQVSIRPB-SMDDNHRTSA-N -1 0 368.411 -0.181 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)OC(F)(F)O2)C(=O)[O-] ZINC000582006716 484380114 /nfs/dbraw/zinc/38/01/14/484380114.db2.gz SQCACEKADAEESY-LURJTMIESA-N -1 0 352.271 -0.385 20 0 FBADRM CC1(O)CN(S(=O)(=O)c2ccc(S(=O)(=O)[N-]c3nnc[nH]3)cc2)C1 ZINC000582013451 484383712 /nfs/dbraw/zinc/38/37/12/484383712.db2.gz MKRDBKSGLVKBSW-UHFFFAOYSA-N -1 0 373.416 -0.639 20 0 FBADRM CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000582037618 483480782 /nfs/dbraw/zinc/48/07/82/483480782.db2.gz AVJDDVRDLBGDOW-UHFFFAOYSA-N -1 0 366.417 -0.948 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCN(c3cccnn3)CC2)cn1 ZINC000582060542 483488965 /nfs/dbraw/zinc/48/89/65/483488965.db2.gz OHHBWNNSTRRFST-UHFFFAOYSA-N -1 0 352.376 -0.731 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2CC(=O)N(C)C2=O)c1 ZINC000582072274 483490015 /nfs/dbraw/zinc/49/00/15/483490015.db2.gz RSTCRQYXYJQNMT-JTQLQIEISA-N -1 0 355.372 -0.870 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2CC(=O)N(C)C2=O)c1 ZINC000582072275 483490968 /nfs/dbraw/zinc/49/09/68/483490968.db2.gz RSTCRQYXYJQNMT-SNVBAGLBSA-N -1 0 355.372 -0.870 20 0 FBADRM C[C@H]1OCCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)[C@@H]1C(=O)[O-] ZINC000582099835 483497122 /nfs/dbraw/zinc/49/71/22/483497122.db2.gz NPLOTSOBGQDCLK-HQJQHLMTSA-N -1 0 369.355 -0.096 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1CC(=O)[O-] ZINC000582106731 483507146 /nfs/dbraw/zinc/50/71/46/483507146.db2.gz KHHSKQCEAIUMOM-GHMZBOCLSA-N -1 0 356.466 -0.121 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000582140670 483677280 /nfs/dbraw/zinc/67/72/80/483677280.db2.gz OMCJLWYVXSAZRI-SECBINFHSA-N -1 0 350.393 -0.962 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000582140671 483676983 /nfs/dbraw/zinc/67/69/83/483676983.db2.gz OMCJLWYVXSAZRI-VIFPVBQESA-N -1 0 350.393 -0.962 20 0 FBADRM COC(=O)c1cn(CCNC(=O)N=c2nc([C@@H](C)OC)[n-]s2)nn1 ZINC000582150222 483869530 /nfs/dbraw/zinc/86/95/30/483869530.db2.gz ROMHCSXQMFZXQG-SSDOTTSWSA-N -1 0 355.380 -0.133 20 0 FBADRM COC(=O)c1cn(CCNC(=O)N=c2nc([C@H](C)OC)[n-]s2)nn1 ZINC000582150223 483869566 /nfs/dbraw/zinc/86/95/66/483869566.db2.gz ROMHCSXQMFZXQG-ZETCQYMHSA-N -1 0 355.380 -0.133 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000582179265 484121678 /nfs/dbraw/zinc/12/16/78/484121678.db2.gz SQGTXECKJMULRD-UHFFFAOYSA-N -1 0 354.425 -0.608 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1C ZINC000582215668 484262876 /nfs/dbraw/zinc/26/28/76/484262876.db2.gz WWOFEOMBOWPEIL-NEPJUHHUSA-N -1 0 374.419 -0.284 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1C ZINC000582215669 484262827 /nfs/dbraw/zinc/26/28/27/484262827.db2.gz WWOFEOMBOWPEIL-NWDGAFQWSA-N -1 0 374.419 -0.284 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1C ZINC000582215670 484262791 /nfs/dbraw/zinc/26/27/91/484262791.db2.gz WWOFEOMBOWPEIL-RYUDHWBXSA-N -1 0 374.419 -0.284 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1C ZINC000582215671 484262533 /nfs/dbraw/zinc/26/25/33/484262533.db2.gz WWOFEOMBOWPEIL-VXGBXAGGSA-N -1 0 374.419 -0.284 20 0 FBADRM COCC1(S(=O)(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)CC1 ZINC000582304693 484076975 /nfs/dbraw/zinc/07/69/75/484076975.db2.gz YHNFCYZMIQYQMW-LLVKDONJSA-N -1 0 360.432 -0.107 20 0 FBADRM COCC1(S(=O)(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)CC1 ZINC000582304694 484077518 /nfs/dbraw/zinc/07/75/18/484077518.db2.gz YHNFCYZMIQYQMW-NSHDSACASA-N -1 0 360.432 -0.107 20 0 FBADRM COC(=O)CCCc1n[n-]c(=NC(=O)c2nc(N)nc(N(C)C)n2)s1 ZINC000582308227 484524833 /nfs/dbraw/zinc/52/48/33/484524833.db2.gz IDQZLMXYRKRYAI-UHFFFAOYSA-N -1 0 366.407 -0.459 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@@H]1CCC(=O)NC1=O ZINC000582332083 484131414 /nfs/dbraw/zinc/13/14/14/484131414.db2.gz UANVGZRNWQEUCL-SECBINFHSA-N -1 0 361.326 -0.836 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@H]1CCC(=O)NC1=O ZINC000582332084 484130699 /nfs/dbraw/zinc/13/06/99/484130699.db2.gz UANVGZRNWQEUCL-VIFPVBQESA-N -1 0 361.326 -0.836 20 0 FBADRM CN(C)C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1 ZINC000582354504 484173563 /nfs/dbraw/zinc/17/35/63/484173563.db2.gz VLXONFXRXSYNPW-GFCCVEGCSA-N -1 0 354.407 -0.475 20 0 FBADRM CN(C)C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC1 ZINC000582354505 484173709 /nfs/dbraw/zinc/17/37/09/484173709.db2.gz VLXONFXRXSYNPW-LBPRGKRZSA-N -1 0 354.407 -0.475 20 0 FBADRM CCNC(=O)C1(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CCC1 ZINC000582360352 484181978 /nfs/dbraw/zinc/18/19/78/484181978.db2.gz KVBATCJLJCOABQ-NEPJUHHUSA-N -1 0 353.419 -0.022 20 0 FBADRM CCNC(=O)C1(CNC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CCC1 ZINC000582360353 484181337 /nfs/dbraw/zinc/18/13/37/484181337.db2.gz KVBATCJLJCOABQ-NWDGAFQWSA-N -1 0 353.419 -0.022 20 0 FBADRM CCNC(=O)C1(CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CCC1 ZINC000582360354 484181825 /nfs/dbraw/zinc/18/18/25/484181825.db2.gz KVBATCJLJCOABQ-RYUDHWBXSA-N -1 0 353.419 -0.022 20 0 FBADRM CCNC(=O)C1(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CCC1 ZINC000582360355 484182153 /nfs/dbraw/zinc/18/21/53/484182153.db2.gz KVBATCJLJCOABQ-VXGBXAGGSA-N -1 0 353.419 -0.022 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)[C@H]2C(=O)[O-])cn1C ZINC000582360674 484182066 /nfs/dbraw/zinc/18/20/66/484182066.db2.gz ZFUGRXYLKXRYIK-AUTRQRHGSA-N -1 0 359.404 -0.364 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)[C@@H]2C(=O)[O-])cn1C ZINC000582360675 484181317 /nfs/dbraw/zinc/18/13/17/484181317.db2.gz ZFUGRXYLKXRYIK-HOTUBEGUSA-N -1 0 359.404 -0.364 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)O[C@H](C)[C@H]2C(=O)[O-])cn1C ZINC000582360676 484182127 /nfs/dbraw/zinc/18/21/27/484182127.db2.gz ZFUGRXYLKXRYIK-SBMIAAHKSA-N -1 0 359.404 -0.364 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)O[C@H](C)[C@@H]2C(=O)[O-])cn1C ZINC000582360677 484181811 /nfs/dbraw/zinc/18/18/11/484181811.db2.gz ZFUGRXYLKXRYIK-YGOYTEALSA-N -1 0 359.404 -0.364 20 0 FBADRM O=C([O-])C(=O)N1CCN(CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000582363179 484179942 /nfs/dbraw/zinc/17/99/42/484179942.db2.gz LSJIVLVKWJFFCY-HNNXBMFYSA-N -1 0 374.441 -0.142 20 0 FBADRM O=C([O-])C(=O)N1CCN(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000582363180 484180364 /nfs/dbraw/zinc/18/03/64/484180364.db2.gz LSJIVLVKWJFFCY-OAHLLOKOSA-N -1 0 374.441 -0.142 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cc1 ZINC000582363588 484180213 /nfs/dbraw/zinc/18/02/13/484180213.db2.gz BSKMUORWZDMCEJ-UHFFFAOYSA-N -1 0 367.387 -0.545 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N2CCC[C@H](N3CCNC3=O)C2)s[n-]1 ZINC000582371903 484189097 /nfs/dbraw/zinc/18/90/97/484189097.db2.gz PXPVJGGNMUKGHL-JTQLQIEISA-N -1 0 366.447 -0.133 20 0 FBADRM CCCc1nc(=NC(=O)C(=O)N2CCC[C@@H](N3CCNC3=O)C2)s[n-]1 ZINC000582371904 484189231 /nfs/dbraw/zinc/18/92/31/484189231.db2.gz PXPVJGGNMUKGHL-SNVBAGLBSA-N -1 0 366.447 -0.133 20 0 FBADRM CCCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC000582385321 484195898 /nfs/dbraw/zinc/19/58/98/484195898.db2.gz XNFHSFONGYILMH-NSHDSACASA-N -1 0 351.402 -0.406 20 0 FBADRM O=C(CNS(=O)(=O)c1cccc(F)c1)NCCCc1n[nH]c(=O)[n-]1 ZINC000582391730 484200144 /nfs/dbraw/zinc/20/01/44/484200144.db2.gz TYHBVIFMYIMMCO-UHFFFAOYSA-N -1 0 357.367 -0.323 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000582415943 484219408 /nfs/dbraw/zinc/21/94/08/484219408.db2.gz OKUJPYQMUBZSSR-MRVPVSSYSA-N -1 0 360.373 -0.233 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000582415944 484219147 /nfs/dbraw/zinc/21/91/47/484219147.db2.gz OKUJPYQMUBZSSR-QMMMGPOBSA-N -1 0 360.373 -0.233 20 0 FBADRM O=C([O-])Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)cc1F ZINC000582418119 484221450 /nfs/dbraw/zinc/22/14/50/484221450.db2.gz GGVJHSQYAKLJPZ-UHFFFAOYSA-N -1 0 351.377 -0.128 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000582484003 484472003 /nfs/dbraw/zinc/47/20/03/484472003.db2.gz BNZFKZGUIMWECD-SECBINFHSA-N -1 0 364.401 -0.931 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000582484004 484471497 /nfs/dbraw/zinc/47/14/97/484471497.db2.gz BNZFKZGUIMWECD-VIFPVBQESA-N -1 0 364.401 -0.931 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000582487046 484407451 /nfs/dbraw/zinc/40/74/51/484407451.db2.gz JAUOMPNIQFBXJU-NXEZZACHSA-N -1 0 366.374 0.105 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000582487047 484409558 /nfs/dbraw/zinc/40/95/58/484409558.db2.gz JAUOMPNIQFBXJU-UWVGGRQHSA-N -1 0 366.374 0.105 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000582487048 484409269 /nfs/dbraw/zinc/40/92/69/484409269.db2.gz JAUOMPNIQFBXJU-VHSXEESVSA-N -1 0 366.374 0.105 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000582487049 484407835 /nfs/dbraw/zinc/40/78/35/484407835.db2.gz JAUOMPNIQFBXJU-ZJUUUORDSA-N -1 0 366.374 0.105 20 0 FBADRM COC(=O)C(C)(C)c1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1 ZINC000582498899 484474316 /nfs/dbraw/zinc/47/43/16/484474316.db2.gz ZTEUMLJIFYURTF-NSHDSACASA-N -1 0 372.399 -0.256 20 0 FBADRM Cc1oc(S(=O)(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000582544021 484474406 /nfs/dbraw/zinc/47/44/06/484474406.db2.gz NRAHZNQFZMOBNT-SECBINFHSA-N -1 0 366.417 -0.154 20 0 FBADRM Cc1oc(S(=O)(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000582544022 484473797 /nfs/dbraw/zinc/47/37/97/484473797.db2.gz NRAHZNQFZMOBNT-VIFPVBQESA-N -1 0 366.417 -0.154 20 0 FBADRM O=C([O-])CCCNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000582544370 484474354 /nfs/dbraw/zinc/47/43/54/484474354.db2.gz JTBNLRSIYBOAAL-UHFFFAOYSA-N -1 0 362.386 -0.077 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000582553107 484475716 /nfs/dbraw/zinc/47/57/16/484475716.db2.gz IZPGLXYHBSFXPE-MRVPVSSYSA-N -1 0 353.360 -0.800 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000582553108 484475329 /nfs/dbraw/zinc/47/53/29/484475329.db2.gz IZPGLXYHBSFXPE-QMMMGPOBSA-N -1 0 353.360 -0.800 20 0 FBADRM CCOC[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000582578458 484475254 /nfs/dbraw/zinc/47/52/54/484475254.db2.gz IJDOBSGGHMTTJN-JTQLQIEISA-N -1 0 352.390 -0.898 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCC[C@](COC)(C(=O)[O-])C1 ZINC000582601848 484476969 /nfs/dbraw/zinc/47/69/69/484476969.db2.gz VXKKIJZMJCFCTP-AWEZNQCLSA-N -1 0 368.452 -0.361 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCC[C@@](COC)(C(=O)[O-])C1 ZINC000582601850 484476930 /nfs/dbraw/zinc/47/69/30/484476930.db2.gz VXKKIJZMJCFCTP-CQSZACIVSA-N -1 0 368.452 -0.361 20 0 FBADRM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000582604287 484476749 /nfs/dbraw/zinc/47/67/49/484476749.db2.gz WFFMGRWLGKSZHB-SECBINFHSA-N -1 0 353.422 -0.589 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000582604288 484476986 /nfs/dbraw/zinc/47/69/86/484476986.db2.gz WFFMGRWLGKSZHB-VIFPVBQESA-N -1 0 353.422 -0.589 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCCC(=O)[O-])c1C ZINC000582606735 484476713 /nfs/dbraw/zinc/47/67/13/484476713.db2.gz XJSOGWHFAXXVSA-UHFFFAOYSA-N -1 0 357.388 -0.177 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NCC(C)(CO)CO)c1 ZINC000582635438 484479368 /nfs/dbraw/zinc/47/93/68/484479368.db2.gz QKWFNWLFHVAQHM-UHFFFAOYSA-N -1 0 373.431 -0.263 20 0 FBADRM CC(=O)NCCN(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000582666329 484479078 /nfs/dbraw/zinc/47/90/78/484479078.db2.gz NUIGNAQZJBKKAZ-UHFFFAOYSA-N -1 0 357.388 -0.742 20 0 FBADRM O=C([O-])C(=O)N1CCN(CC(=O)NCCOc2cccc(F)c2)CC1 ZINC000582668498 484479604 /nfs/dbraw/zinc/47/96/04/484479604.db2.gz CBKJQIUEVWSUKK-UHFFFAOYSA-N -1 0 353.350 -0.451 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CC[C@H](C(=O)OC)O2)ccc1[O-] ZINC000582697837 484480800 /nfs/dbraw/zinc/48/08/00/484480800.db2.gz NBOOUFZMUPPDIC-WDEREUQCSA-N -1 0 358.372 -0.041 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NC1(C(=O)[O-])CCSCC1 ZINC000582723579 484481920 /nfs/dbraw/zinc/48/19/20/484481920.db2.gz KDJOVSSYFRZLHZ-UHFFFAOYSA-N -1 0 360.479 -0.805 20 0 FBADRM O=C([O-])CCCS(=O)(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000582724224 484481908 /nfs/dbraw/zinc/48/19/08/484481908.db2.gz GVOFGFBJJWUHCY-UHFFFAOYSA-N -1 0 354.450 -0.273 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000582728406 484482291 /nfs/dbraw/zinc/48/22/91/484482291.db2.gz QLFBGKMTQWLKJL-MRVPVSSYSA-N -1 0 370.412 -0.047 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000582728407 484481884 /nfs/dbraw/zinc/48/18/84/484481884.db2.gz QLFBGKMTQWLKJL-QMMMGPOBSA-N -1 0 370.412 -0.047 20 0 FBADRM NS(=O)(=O)c1ccc(N2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)cc1 ZINC000582731091 484482605 /nfs/dbraw/zinc/48/26/05/484482605.db2.gz QXIRSTBSMURQHP-UHFFFAOYSA-N -1 0 353.400 -0.153 20 0 FBADRM CC(C)[C@H](C(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000582731159 484482216 /nfs/dbraw/zinc/48/22/16/484482216.db2.gz UTZWCXNXGIEPAZ-NEPJUHHUSA-N -1 0 350.437 -0.052 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000582731160 484482258 /nfs/dbraw/zinc/48/22/58/484482258.db2.gz UTZWCXNXGIEPAZ-NWDGAFQWSA-N -1 0 350.437 -0.052 20 0 FBADRM CC(C)[C@H](C(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000582731161 484482192 /nfs/dbraw/zinc/48/21/92/484482192.db2.gz UTZWCXNXGIEPAZ-RYUDHWBXSA-N -1 0 350.437 -0.052 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000582731162 484481798 /nfs/dbraw/zinc/48/17/98/484481798.db2.gz UTZWCXNXGIEPAZ-VXGBXAGGSA-N -1 0 350.437 -0.052 20 0 FBADRM Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)ccc1C(=O)[O-] ZINC000582731772 484482324 /nfs/dbraw/zinc/48/23/24/484482324.db2.gz IGMFQTAPYNMVNX-LLVKDONJSA-N -1 0 369.399 -0.218 20 0 FBADRM Cc1cc(NC(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)ccc1C(=O)[O-] ZINC000582731773 484482556 /nfs/dbraw/zinc/48/25/56/484482556.db2.gz IGMFQTAPYNMVNX-NSHDSACASA-N -1 0 369.399 -0.218 20 0 FBADRM C[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cn[nH]c2)cc1 ZINC000582736236 484483435 /nfs/dbraw/zinc/48/34/35/484483435.db2.gz VYIJCUSOPZGGPA-VIFPVBQESA-N -1 0 360.417 -0.130 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@H](CO)[C@H]3CCCOC3)cc-2c(=O)[n-]1 ZINC000582736933 484483648 /nfs/dbraw/zinc/48/36/48/484483648.db2.gz LKRGDTNFDMDGID-GZMMTYOYSA-N -1 0 370.387 -0.498 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@@H](CO)[C@@H]3CCCOC3)cc-2c(=O)[n-]1 ZINC000582736934 484483202 /nfs/dbraw/zinc/48/32/02/484483202.db2.gz LKRGDTNFDMDGID-KCJUWKMLSA-N -1 0 370.387 -0.498 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@@H](CO)[C@H]3CCCOC3)cc-2c(=O)[n-]1 ZINC000582736935 484483214 /nfs/dbraw/zinc/48/32/14/484483214.db2.gz LKRGDTNFDMDGID-KWQFWETISA-N -1 0 370.387 -0.498 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N[C@H](CO)[C@@H]3CCCOC3)cc-2c(=O)[n-]1 ZINC000582736936 484483293 /nfs/dbraw/zinc/48/32/93/484483293.db2.gz LKRGDTNFDMDGID-LDYMZIIASA-N -1 0 370.387 -0.498 20 0 FBADRM CCOC(=O)c1ccc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)nc1C ZINC000582785197 484495659 /nfs/dbraw/zinc/49/56/59/484495659.db2.gz AXUNOGHIPHRECC-GFCCVEGCSA-N -1 0 370.383 -0.109 20 0 FBADRM CCOC(=O)c1ccc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)nc1C ZINC000582785198 484496146 /nfs/dbraw/zinc/49/61/46/484496146.db2.gz AXUNOGHIPHRECC-LBPRGKRZSA-N -1 0 370.383 -0.109 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C(=O)[O-] ZINC000582785568 484496392 /nfs/dbraw/zinc/49/63/92/484496392.db2.gz HGFURLAWBPUTEA-QJPTWQEYSA-N -1 0 354.425 -0.612 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C(=O)[O-] ZINC000582785569 484495797 /nfs/dbraw/zinc/49/57/97/484495797.db2.gz HGFURLAWBPUTEA-SDDRHHMPSA-N -1 0 354.425 -0.612 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C(=O)[O-] ZINC000582785570 484496499 /nfs/dbraw/zinc/49/64/99/484496499.db2.gz HGFURLAWBPUTEA-SRVKXCTJSA-N -1 0 354.425 -0.612 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1C[C@H](C)O[C@H](C)[C@H]1C(=O)[O-] ZINC000582785571 484495748 /nfs/dbraw/zinc/49/57/48/484495748.db2.gz HGFURLAWBPUTEA-TUAOUCFPSA-N -1 0 354.425 -0.612 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)C[C@@H]1C(=O)[O-] ZINC000582785643 484496038 /nfs/dbraw/zinc/49/60/38/484496038.db2.gz IFQLRLCPXKRRNC-BDAKNGLRSA-N -1 0 365.308 -0.254 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)C[C@H]1C(=O)[O-] ZINC000582785645 484495762 /nfs/dbraw/zinc/49/57/62/484495762.db2.gz IFQLRLCPXKRRNC-DTWKUNHWSA-N -1 0 365.308 -0.254 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)C[C@@H]1C(=O)[O-] ZINC000582785646 484496431 /nfs/dbraw/zinc/49/64/31/484496431.db2.gz IFQLRLCPXKRRNC-IUCAKERBSA-N -1 0 365.308 -0.254 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)C[C@H]1C(=O)[O-] ZINC000582785647 484496292 /nfs/dbraw/zinc/49/62/92/484496292.db2.gz IFQLRLCPXKRRNC-RKDXNWHRSA-N -1 0 365.308 -0.254 20 0 FBADRM O=C(c1cc(N2CCNC(=O)C2)ccn1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000582806883 484501232 /nfs/dbraw/zinc/50/12/32/484501232.db2.gz JLDMRKLLCSAUQY-LLVKDONJSA-N -1 0 371.401 -0.139 20 0 FBADRM O=C(c1cc(N2CCNC(=O)C2)ccn1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000582806884 484501115 /nfs/dbraw/zinc/50/11/15/484501115.db2.gz JLDMRKLLCSAUQY-NSHDSACASA-N -1 0 371.401 -0.139 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3C[C@H]4C[C@@]4(C(=O)[O-])C3)cnc21 ZINC000582817768 484504289 /nfs/dbraw/zinc/50/42/89/484504289.db2.gz IJWYDAOBDINMLO-NXSYQRQQSA-N -1 0 366.355 -0.871 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)cnc21 ZINC000582817770 484504448 /nfs/dbraw/zinc/50/44/48/484504448.db2.gz IJWYDAOBDINMLO-WJWGPLDTSA-N -1 0 366.355 -0.871 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CCC1 ZINC000582820591 484505445 /nfs/dbraw/zinc/50/54/45/484505445.db2.gz BGKNHIJEAUGZCU-LLVKDONJSA-N -1 0 353.356 -0.252 20 0 FBADRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CCC1 ZINC000582820592 484505536 /nfs/dbraw/zinc/50/55/36/484505536.db2.gz BGKNHIJEAUGZCU-NSHDSACASA-N -1 0 353.356 -0.252 20 0 FBADRM COC(=O)Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-])cc1 ZINC000582820649 484505384 /nfs/dbraw/zinc/50/53/84/484505384.db2.gz ADOJTTBVULILFV-NSHDSACASA-N -1 0 359.356 -0.303 20 0 FBADRM CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000582842640 484506643 /nfs/dbraw/zinc/50/66/43/484506643.db2.gz HRCSQBDVQKSHLD-LLVKDONJSA-N -1 0 369.465 -0.959 20 0 FBADRM CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000582842642 484506804 /nfs/dbraw/zinc/50/68/04/484506804.db2.gz HRCSQBDVQKSHLD-NSHDSACASA-N -1 0 369.465 -0.959 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C[C@@H](O)Cn1ccnn1 ZINC000582857444 484508836 /nfs/dbraw/zinc/50/88/36/484508836.db2.gz PXVIQOSVPKDURN-BDAKNGLRSA-N -1 0 374.341 -0.558 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H](O)Cn1ccnn1 ZINC000582857445 484508993 /nfs/dbraw/zinc/50/89/93/484508993.db2.gz PXVIQOSVPKDURN-DTWKUNHWSA-N -1 0 374.341 -0.558 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H](O)Cn1ccnn1 ZINC000582857446 484508986 /nfs/dbraw/zinc/50/89/86/484508986.db2.gz PXVIQOSVPKDURN-IUCAKERBSA-N -1 0 374.341 -0.558 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@@H](O)Cn1ccnn1 ZINC000582857447 484508363 /nfs/dbraw/zinc/50/83/63/484508363.db2.gz PXVIQOSVPKDURN-RKDXNWHRSA-N -1 0 374.341 -0.558 20 0 FBADRM COC[C@H](O)CNC(=O)c1cc([N-]S(C)(=O)=O)c(OC)c(OC)c1 ZINC000582858833 484508030 /nfs/dbraw/zinc/50/80/30/484508030.db2.gz WBBFCIFRGBBPDT-SNVBAGLBSA-N -1 0 362.404 -0.188 20 0 FBADRM CS(=O)(=O)CCCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000582859420 484507625 /nfs/dbraw/zinc/50/76/25/484507625.db2.gz KEUBCTUSUMWTBE-UHFFFAOYSA-N -1 0 370.399 -0.206 20 0 FBADRM Cc1nc(C)n(C[C@H]2CN(C(=O)C(=O)NCCCC(=O)[O-])CCO2)n1 ZINC000582905285 484508895 /nfs/dbraw/zinc/50/88/95/484508895.db2.gz KKOKEILYYRWMFR-GFCCVEGCSA-N -1 0 353.379 -0.897 20 0 FBADRM Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)NCCCC(=O)[O-])CCO2)n1 ZINC000582905286 484508683 /nfs/dbraw/zinc/50/86/83/484508683.db2.gz KKOKEILYYRWMFR-LBPRGKRZSA-N -1 0 353.379 -0.897 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000582905438 484508976 /nfs/dbraw/zinc/50/89/76/484508976.db2.gz PEXLNPSJOARDSM-SECBINFHSA-N -1 0 357.388 -0.097 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])s1 ZINC000582908368 484508738 /nfs/dbraw/zinc/50/87/38/484508738.db2.gz XPOVTCWIQGEGMT-LLVKDONJSA-N -1 0 351.406 -0.147 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])s1 ZINC000582908369 484508383 /nfs/dbraw/zinc/50/83/83/484508383.db2.gz XPOVTCWIQGEGMT-NSHDSACASA-N -1 0 351.406 -0.147 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000582962033 484509888 /nfs/dbraw/zinc/50/98/88/484509888.db2.gz HDGSQJFMJRRJOW-UHFFFAOYSA-N -1 0 368.452 -0.218 20 0 FBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000582962177 484509901 /nfs/dbraw/zinc/50/99/01/484509901.db2.gz JIKKLOCYPFADGG-LLVKDONJSA-N -1 0 369.465 -0.911 20 0 FBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000582962179 484509278 /nfs/dbraw/zinc/50/92/78/484509278.db2.gz JIKKLOCYPFADGG-NSHDSACASA-N -1 0 369.465 -0.911 20 0 FBADRM O=C([O-])C1(C(=O)NCCS(=O)(=O)N2CCSCC2)CCOCC1 ZINC000582967069 484511243 /nfs/dbraw/zinc/51/12/43/484511243.db2.gz XLWVEOPLJCQVHK-UHFFFAOYSA-N -1 0 366.461 -0.637 20 0 FBADRM O=C([O-])[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000582975590 484511623 /nfs/dbraw/zinc/51/16/23/484511623.db2.gz NMYDINAAJFIHIG-GFCCVEGCSA-N -1 0 360.363 -0.215 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000582999412 484513407 /nfs/dbraw/zinc/51/34/07/484513407.db2.gz CHSUKNNVFRXLHQ-SECBINFHSA-N -1 0 366.417 -0.685 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000582999413 484513208 /nfs/dbraw/zinc/51/32/08/484513208.db2.gz CHSUKNNVFRXLHQ-VIFPVBQESA-N -1 0 366.417 -0.685 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000583014907 484513616 /nfs/dbraw/zinc/51/36/16/484513616.db2.gz ILDPHLVMQKNIDM-LLVKDONJSA-N -1 0 353.360 -0.649 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000583014908 484512867 /nfs/dbraw/zinc/51/28/67/484512867.db2.gz ILDPHLVMQKNIDM-NSHDSACASA-N -1 0 353.360 -0.649 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1=O ZINC000583017787 484514454 /nfs/dbraw/zinc/51/44/54/484514454.db2.gz IANFVJGSILEDPE-LPWJVIDDSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1=O ZINC000583017788 484514728 /nfs/dbraw/zinc/51/47/28/484514728.db2.gz IANFVJGSILEDPE-NDBYEHHHSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC1=O ZINC000583017789 484514090 /nfs/dbraw/zinc/51/40/90/484514090.db2.gz IANFVJGSILEDPE-VOAKCMCISA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC1=O ZINC000583017790 484514646 /nfs/dbraw/zinc/51/46/46/484514646.db2.gz IANFVJGSILEDPE-XQHKEYJVSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CCCN(C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)[C@H]1C(=O)[O-] ZINC000583019179 484512425 /nfs/dbraw/zinc/51/24/25/484512425.db2.gz UMFSKJCFYCTYGQ-BXKDBHETSA-N -1 0 362.386 -0.099 20 0 FBADRM C[C@H]1CCCN(C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)[C@@H]1C(=O)[O-] ZINC000583019180 484512168 /nfs/dbraw/zinc/51/21/68/484512168.db2.gz UMFSKJCFYCTYGQ-CABZTGNLSA-N -1 0 362.386 -0.099 20 0 FBADRM C[C@H]1CCCN(C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)[C@H]1C(=O)[O-] ZINC000583019181 484511713 /nfs/dbraw/zinc/51/17/13/484511713.db2.gz UMFSKJCFYCTYGQ-JOYOIKCWSA-N -1 0 362.386 -0.099 20 0 FBADRM C[C@@H]1CCCN(C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)[C@@H]1C(=O)[O-] ZINC000583019182 484512195 /nfs/dbraw/zinc/51/21/95/484512195.db2.gz UMFSKJCFYCTYGQ-SKDRFNHKSA-N -1 0 362.386 -0.099 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000583021647 484512115 /nfs/dbraw/zinc/51/21/15/484512115.db2.gz JOOJRGLHFMTIAG-LURJTMIESA-N -1 0 355.419 -0.847 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000583021649 484511902 /nfs/dbraw/zinc/51/19/02/484511902.db2.gz JOOJRGLHFMTIAG-ZCFIWIBFSA-N -1 0 355.419 -0.847 20 0 FBADRM CC(C)(CCS(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1)S(C)(=O)=O ZINC000583022097 484512538 /nfs/dbraw/zinc/51/25/38/484512538.db2.gz UOBWDMVBZMLLAO-JTQLQIEISA-N -1 0 357.450 -0.295 20 0 FBADRM CC(C)(CCS(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1)S(C)(=O)=O ZINC000583022099 484512328 /nfs/dbraw/zinc/51/23/28/484512328.db2.gz UOBWDMVBZMLLAO-SNVBAGLBSA-N -1 0 357.450 -0.295 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000583025089 484513455 /nfs/dbraw/zinc/51/34/55/484513455.db2.gz SDIBIBLVGWRAJZ-UHFFFAOYSA-N -1 0 357.388 -0.938 20 0 FBADRM C[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000583025231 484512881 /nfs/dbraw/zinc/51/28/81/484512881.db2.gz SRFFPQFVNGTHHH-VIFPVBQESA-N -1 0 357.388 -0.744 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@](C)(C(=O)[O-])C2)cn1C ZINC000583025345 484513186 /nfs/dbraw/zinc/51/31/86/484513186.db2.gz WGZLFRQTFFWRFY-AWEZNQCLSA-N -1 0 358.420 -0.280 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cn1C ZINC000583025351 484513440 /nfs/dbraw/zinc/51/34/40/484513440.db2.gz WGZLFRQTFFWRFY-CQSZACIVSA-N -1 0 358.420 -0.280 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCOC3)cc2)n1 ZINC000583035120 484514679 /nfs/dbraw/zinc/51/46/79/484514679.db2.gz QOCCNVKEQWWITK-UHFFFAOYSA-N -1 0 373.416 -0.406 20 0 FBADRM Cc1cc(N2CCC[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])C2)n(C)n1 ZINC000583084369 484516664 /nfs/dbraw/zinc/51/66/64/484516664.db2.gz SMAKHRFQPRXWAJ-GFCCVEGCSA-N -1 0 351.407 -0.205 20 0 FBADRM Cc1cc(N2CCC[C@H](NC(=O)C(=O)NCCCC(=O)[O-])C2)n(C)n1 ZINC000583084370 484516343 /nfs/dbraw/zinc/51/63/43/484516343.db2.gz SMAKHRFQPRXWAJ-LBPRGKRZSA-N -1 0 351.407 -0.205 20 0 FBADRM Cn1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(N)(=O)=O)CC3)n1 ZINC000583087620 484515525 /nfs/dbraw/zinc/51/55/25/484515525.db2.gz CRDQNLXNLGMECK-UHFFFAOYSA-N -1 0 357.417 -0.213 20 0 FBADRM O=S(=O)([N-]c1nnc[nH]1)c1ccc(S(=O)(=O)N2CCOC2)cc1 ZINC000583092986 484517258 /nfs/dbraw/zinc/51/72/58/484517258.db2.gz CMJKNWUAJBIKDN-UHFFFAOYSA-N -1 0 359.389 -0.416 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCCCC(=O)[O-])CCN1S(C)(=O)=O ZINC000583142389 484518620 /nfs/dbraw/zinc/51/86/20/484518620.db2.gz SIHHBAYDAFOBMY-NSHDSACASA-N -1 0 356.466 -0.073 20 0 FBADRM COC1CN(S(=O)(=O)c2ccc(S(=O)(=O)[N-]c3nnc[nH]3)cc2)C1 ZINC000583153136 484519339 /nfs/dbraw/zinc/51/93/39/484519339.db2.gz ICDIMWXXUFDOAE-UHFFFAOYSA-N -1 0 373.416 -0.375 20 0 FBADRM O=S(=O)([N-]c1c[nH]cn1)c1ccc(S(=O)(=O)N2CC(CO)C2)cc1 ZINC000583153617 484519736 /nfs/dbraw/zinc/51/97/36/484519736.db2.gz PTHVFTJSYANEOZ-UHFFFAOYSA-N -1 0 372.428 -0.177 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)c2cccc(S(=O)(=O)N3CCCO3)c2)n1 ZINC000583154518 484519956 /nfs/dbraw/zinc/51/99/56/484519956.db2.gz CIIIYBDABNCLCD-UHFFFAOYSA-N -1 0 373.416 -0.058 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccn(C)n2)cc1 ZINC000583154852 484519630 /nfs/dbraw/zinc/51/96/30/484519630.db2.gz IYCFOHMQHGCNNQ-UHFFFAOYSA-N -1 0 374.444 -0.166 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)CCOCC3CC3)C2)C1 ZINC000583199494 484526569 /nfs/dbraw/zinc/52/65/69/484526569.db2.gz RHLYKRMWPHFBBV-CHWSQXEVSA-N -1 0 360.432 -0.250 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)CCOCC3CC3)C2)C1 ZINC000583199495 484527339 /nfs/dbraw/zinc/52/73/39/484527339.db2.gz RHLYKRMWPHFBBV-OLZOCXBDSA-N -1 0 360.432 -0.250 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)CCOCC3CC3)C2)C1 ZINC000583199496 484526662 /nfs/dbraw/zinc/52/66/62/484526662.db2.gz RHLYKRMWPHFBBV-QWHCGFSZSA-N -1 0 360.432 -0.250 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)CCOCC3CC3)C2)C1 ZINC000583199497 484527188 /nfs/dbraw/zinc/52/71/88/484527188.db2.gz RHLYKRMWPHFBBV-STQMWFEESA-N -1 0 360.432 -0.250 20 0 FBADRM CS(=O)(=O)N1CCCN(S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC000583201558 484526733 /nfs/dbraw/zinc/52/67/33/484526733.db2.gz KROCYOWXZKQKJB-UHFFFAOYSA-N -1 0 369.446 -0.503 20 0 FBADRM COCCCN(C(=O)C(=O)NCCCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000583203505 484528903 /nfs/dbraw/zinc/52/89/03/484528903.db2.gz BUPBOBFCJNGLSN-LLVKDONJSA-N -1 0 364.420 -0.980 20 0 FBADRM COCCCN(C(=O)C(=O)NCCCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000583203506 484528999 /nfs/dbraw/zinc/52/89/99/484528999.db2.gz BUPBOBFCJNGLSN-NSHDSACASA-N -1 0 364.420 -0.980 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccccc1CNc1ccc(C(=O)[O-])nn1 ZINC000583207505 484124991 /nfs/dbraw/zinc/12/49/91/484124991.db2.gz RPJBQFKJUMSDBG-UHFFFAOYSA-N -1 0 366.399 0.400 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N2CCN(CCOCC(=O)[O-])CC2)C[C@H](C)O1 ZINC000583209194 484530841 /nfs/dbraw/zinc/53/08/41/484530841.db2.gz HMHHLKHIFPCMTI-BETUJISGSA-N -1 0 365.452 -0.941 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N2CCN(CCOCC(=O)[O-])CC2)C[C@@H](C)O1 ZINC000583209195 484531008 /nfs/dbraw/zinc/53/10/08/484531008.db2.gz HMHHLKHIFPCMTI-CHWSQXEVSA-N -1 0 365.452 -0.941 20 0 FBADRM C[C@H]1CN(S(=O)(=O)N2CCN(CCOCC(=O)[O-])CC2)C[C@H](C)O1 ZINC000583209196 484530263 /nfs/dbraw/zinc/53/02/63/484530263.db2.gz HMHHLKHIFPCMTI-STQMWFEESA-N -1 0 365.452 -0.941 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@@H](COC(C)(C)C)C(=O)[O-])cn1 ZINC000583254773 484537067 /nfs/dbraw/zinc/53/70/67/484537067.db2.gz GCLSSSAVSWBHAP-JTQLQIEISA-N -1 0 363.392 -0.397 20 0 FBADRM CC1(C)CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CCS1(=O)=O ZINC000583257471 484536804 /nfs/dbraw/zinc/53/68/04/484536804.db2.gz OLWOQGVQOGDUDK-MEDUHNTESA-N -1 0 372.443 -0.265 20 0 FBADRM O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)NC(=O)N1CCS(=O)(=O)CC1 ZINC000583300167 484543432 /nfs/dbraw/zinc/54/34/32/484543432.db2.gz OSRRGYCSDISYCS-LLVKDONJSA-N -1 0 370.383 -0.149 20 0 FBADRM O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)NC(=O)N1CCS(=O)(=O)CC1 ZINC000583300168 484543824 /nfs/dbraw/zinc/54/38/24/484543824.db2.gz OSRRGYCSDISYCS-NSHDSACASA-N -1 0 370.383 -0.149 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ncccc3F)C2)C1 ZINC000583315300 484543731 /nfs/dbraw/zinc/54/37/31/484543731.db2.gz CAXHRKWALZYCPD-GHMZBOCLSA-N -1 0 350.350 -0.151 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ncccc3F)C2)C1 ZINC000583315301 484543072 /nfs/dbraw/zinc/54/30/72/484543072.db2.gz CAXHRKWALZYCPD-MNOVXSKESA-N -1 0 350.350 -0.151 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ncccc3F)C2)C1 ZINC000583315302 484543259 /nfs/dbraw/zinc/54/32/59/484543259.db2.gz CAXHRKWALZYCPD-QWRGUYRKSA-N -1 0 350.350 -0.151 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ncccc3F)C2)C1 ZINC000583315303 484543685 /nfs/dbraw/zinc/54/36/85/484543685.db2.gz CAXHRKWALZYCPD-WDEREUQCSA-N -1 0 350.350 -0.151 20 0 FBADRM O=C([O-])C1(O)CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000583317674 484543342 /nfs/dbraw/zinc/54/33/42/484543342.db2.gz SOTOMRZLDVFPKG-UHFFFAOYSA-N -1 0 353.360 -0.738 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2csc(C(=O)[O-])c2)C1 ZINC000583319855 484544993 /nfs/dbraw/zinc/54/49/93/484544993.db2.gz MNVYKOJMXKKKCB-SSDOTTSWSA-N -1 0 354.431 -0.242 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2csc(C(=O)[O-])c2)C1 ZINC000583319856 484545121 /nfs/dbraw/zinc/54/51/21/484545121.db2.gz MNVYKOJMXKKKCB-ZETCQYMHSA-N -1 0 354.431 -0.242 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000583319999 484545484 /nfs/dbraw/zinc/54/54/84/484545484.db2.gz UXGGUOUSKNHGKG-UHFFFAOYSA-N -1 0 372.465 -0.979 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000583320441 484545168 /nfs/dbraw/zinc/54/51/68/484545168.db2.gz UQHWYZHZBASGNR-GFCCVEGCSA-N -1 0 359.466 -0.001 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000583320442 484545345 /nfs/dbraw/zinc/54/53/45/484545345.db2.gz UQHWYZHZBASGNR-LBPRGKRZSA-N -1 0 359.466 -0.001 20 0 FBADRM CN(CCOCCO)C(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000583322527 484545594 /nfs/dbraw/zinc/54/55/94/484545594.db2.gz NIGFDRQRLBIKJR-CABCVRRESA-N -1 0 364.398 -0.220 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)NC2(C(=O)[O-])Cc3ccccc3C2)C1 ZINC000583325779 484544750 /nfs/dbraw/zinc/54/47/50/484544750.db2.gz YMKJAUHVCGIOBE-CYBMUJFWSA-N -1 0 367.427 -0.058 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NC(=O)NC2(C(=O)[O-])Cc3ccccc3C2)C1 ZINC000583325780 484545551 /nfs/dbraw/zinc/54/55/51/484545551.db2.gz YMKJAUHVCGIOBE-ZDUSSCGKSA-N -1 0 367.427 -0.058 20 0 FBADRM CN(C)C(=O)N1CCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)CC1 ZINC000583381871 483882183 /nfs/dbraw/zinc/88/21/83/483882183.db2.gz QBXFHAAZFXTGSW-UHFFFAOYSA-N -1 0 354.407 -0.428 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N(C)C2(C(=O)[O-])CCOCC2)cn1 ZINC000583472976 483818586 /nfs/dbraw/zinc/81/85/86/483818586.db2.gz OFOGNIXXQPGFLG-UHFFFAOYSA-N -1 0 361.376 -0.690 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000583475514 483823368 /nfs/dbraw/zinc/82/33/68/483823368.db2.gz AKPWFIWJCQVRJH-MRVPVSSYSA-N -1 0 374.400 -0.363 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000583475515 483823542 /nfs/dbraw/zinc/82/35/42/483823542.db2.gz AKPWFIWJCQVRJH-QMMMGPOBSA-N -1 0 374.400 -0.363 20 0 FBADRM CNS(=O)(=O)c1ccc(N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)nc1 ZINC000583494523 483882226 /nfs/dbraw/zinc/88/22/26/483882226.db2.gz NHSIPFKTNIQUNP-SECBINFHSA-N -1 0 352.376 -0.269 20 0 FBADRM CNS(=O)(=O)c1ccc(N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)nc1 ZINC000583494524 483882271 /nfs/dbraw/zinc/88/22/71/483882271.db2.gz NHSIPFKTNIQUNP-VIFPVBQESA-N -1 0 352.376 -0.269 20 0 FBADRM O=C([O-])C[C@]1(NS(=O)(=O)c2cccc(-n3cnnn3)c2)CCOC1 ZINC000583495292 483896034 /nfs/dbraw/zinc/89/60/34/483896034.db2.gz YEVZROZTMOIEMT-CYBMUJFWSA-N -1 0 353.360 -0.426 20 0 FBADRM O=C([O-])C[C@@]1(NS(=O)(=O)c2cccc(-n3cnnn3)c2)CCOC1 ZINC000583495293 483896025 /nfs/dbraw/zinc/89/60/25/483896025.db2.gz YEVZROZTMOIEMT-ZDUSSCGKSA-N -1 0 353.360 -0.426 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCN1S(C)(=O)=O ZINC000583497357 484102990 /nfs/dbraw/zinc/10/29/90/484102990.db2.gz JFWJLBMAJXBUSX-QMMMGPOBSA-N -1 0 351.406 -0.633 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)C[C@H]1C(=O)[O-] ZINC000583500098 484103298 /nfs/dbraw/zinc/10/32/98/484103298.db2.gz LYAMLPOHPCGWGO-GHMZBOCLSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)C[C@@H]1C(=O)[O-] ZINC000583500099 484103153 /nfs/dbraw/zinc/10/31/53/484103153.db2.gz LYAMLPOHPCGWGO-MNOVXSKESA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)C[C@@H]1C(=O)[O-] ZINC000583500100 484102983 /nfs/dbraw/zinc/10/29/83/484102983.db2.gz LYAMLPOHPCGWGO-QWRGUYRKSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)C[C@H]1C(=O)[O-] ZINC000583500101 484103727 /nfs/dbraw/zinc/10/37/27/484103727.db2.gz LYAMLPOHPCGWGO-WDEREUQCSA-N -1 0 360.432 -0.409 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NCCCOCCO ZINC000583537197 484115340 /nfs/dbraw/zinc/11/53/40/484115340.db2.gz XTNXSLDXCBPECN-UHFFFAOYSA-N -1 0 352.359 -0.242 20 0 FBADRM O=C([O-])[C@H](O)[C@H]1CCCN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C1 ZINC000583575980 484123604 /nfs/dbraw/zinc/12/36/04/484123604.db2.gz YIPSBQCDDWSCEA-GXTWGEPZSA-N -1 0 374.459 -0.125 20 0 FBADRM O=C([O-])[C@@H](O)[C@H]1CCCN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C1 ZINC000583575981 484122985 /nfs/dbraw/zinc/12/29/85/484122985.db2.gz YIPSBQCDDWSCEA-JSGCOSHPSA-N -1 0 374.459 -0.125 20 0 FBADRM O=C([O-])[C@@H](O)[C@@H]1CCCN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C1 ZINC000583575982 484124018 /nfs/dbraw/zinc/12/40/18/484124018.db2.gz YIPSBQCDDWSCEA-OCCSQVGLSA-N -1 0 374.459 -0.125 20 0 FBADRM O=C([O-])[C@H](O)[C@@H]1CCCN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C1 ZINC000583575983 484126013 /nfs/dbraw/zinc/12/60/13/484126013.db2.gz YIPSBQCDDWSCEA-TZMCWYRMSA-N -1 0 374.459 -0.125 20 0 FBADRM O=C([O-])[C@@H](CF)NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000583629250 484262870 /nfs/dbraw/zinc/26/28/70/484262870.db2.gz XRVYWCWIZHYWAM-LLVKDONJSA-N -1 0 366.392 -0.172 20 0 FBADRM O=C([O-])[C@H](CF)NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000583629251 484262795 /nfs/dbraw/zinc/26/27/95/484262795.db2.gz XRVYWCWIZHYWAM-NSHDSACASA-N -1 0 366.392 -0.172 20 0 FBADRM O=C([O-])c1cncnc1NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000583633823 484263339 /nfs/dbraw/zinc/26/33/39/484263339.db2.gz YDVMEVHRLUVXNM-UHFFFAOYSA-N -1 0 371.419 -0.372 20 0 FBADRM CC1(O)CN(S(=O)(=O)c2cccc(S(=O)(=O)[N-]c3nnc[nH]3)c2)C1 ZINC000583641994 484268315 /nfs/dbraw/zinc/26/83/15/484268315.db2.gz LFGKYEIJRSDIKM-UHFFFAOYSA-N -1 0 373.416 -0.639 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NC[C@](C)(O)CO)cc2)[n-]1 ZINC000583643685 484271044 /nfs/dbraw/zinc/27/10/44/484271044.db2.gz UDQNEIYWJJJJDX-KRWDZBQOSA-N -1 0 363.370 -0.646 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NC[C@@](C)(O)CO)cc2)[n-]1 ZINC000583643686 484271618 /nfs/dbraw/zinc/27/16/18/484271618.db2.gz UDQNEIYWJJJJDX-QGZVFWFLSA-N -1 0 363.370 -0.646 20 0 FBADRM CCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cc1 ZINC000583669056 484510882 /nfs/dbraw/zinc/51/08/82/484510882.db2.gz UPVZLGYFUVIGTE-NSHDSACASA-N -1 0 351.402 -0.406 20 0 FBADRM CC(C)(CC(=O)[O-])NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000583691478 484194953 /nfs/dbraw/zinc/19/49/53/484194953.db2.gz UGSIHXNDTOFDFG-UHFFFAOYSA-N -1 0 356.466 -0.169 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000583693987 484313517 /nfs/dbraw/zinc/31/35/17/484313517.db2.gz RYCWZZWXAGQFOB-MRVPVSSYSA-N -1 0 353.297 -0.506 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000583693988 484313315 /nfs/dbraw/zinc/31/33/15/484313315.db2.gz RYCWZZWXAGQFOB-QMMMGPOBSA-N -1 0 353.297 -0.506 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)C[C@@H]1C(=O)[O-] ZINC000583694061 484313675 /nfs/dbraw/zinc/31/36/75/484313675.db2.gz VNTVEMZVJHXSAP-MROQNXINSA-N -1 0 369.418 -0.692 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@@H]1C(=O)[O-] ZINC000583694062 484314430 /nfs/dbraw/zinc/31/44/30/484314430.db2.gz VNTVEMZVJHXSAP-VOAKCMCISA-N -1 0 369.418 -0.692 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1C(=O)[O-] ZINC000583694063 484314012 /nfs/dbraw/zinc/31/40/12/484314012.db2.gz VNTVEMZVJHXSAP-XQHKEYJVSA-N -1 0 369.418 -0.692 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)C[C@H]1C(=O)[O-] ZINC000583694064 484314508 /nfs/dbraw/zinc/31/45/08/484314508.db2.gz VNTVEMZVJHXSAP-YVECIDJPSA-N -1 0 369.418 -0.692 20 0 FBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)CN3CCCS3(=O)=O)C2)nn1 ZINC000583695305 484374878 /nfs/dbraw/zinc/37/48/78/484374878.db2.gz FEGCNPDAUJNFGM-JTQLQIEISA-N -1 0 357.392 -0.825 20 0 FBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)CN3CCCS3(=O)=O)C2)nn1 ZINC000583695306 484375854 /nfs/dbraw/zinc/37/58/54/484375854.db2.gz FEGCNPDAUJNFGM-SNVBAGLBSA-N -1 0 357.392 -0.825 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)c1 ZINC000583725357 484547358 /nfs/dbraw/zinc/54/73/58/484547358.db2.gz HDPOZSKAPHDRNK-NOZJJQNGSA-N -1 0 360.413 -0.310 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)c1 ZINC000583725360 484546940 /nfs/dbraw/zinc/54/69/40/484546940.db2.gz HDPOZSKAPHDRNK-ZANVPECISA-N -1 0 360.413 -0.310 20 0 FBADRM COCC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CC1 ZINC000583746916 484552029 /nfs/dbraw/zinc/55/20/29/484552029.db2.gz TXWYWBPTXSOWQV-UHFFFAOYSA-N -1 0 363.370 -0.051 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C[C@H](C)S1(=O)=O ZINC000583746996 484551582 /nfs/dbraw/zinc/55/15/82/484551582.db2.gz KGQBRDBPLHAODB-CENBSLRLSA-N -1 0 372.443 -0.266 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C[C@@H](C)S1(=O)=O ZINC000583746997 484552132 /nfs/dbraw/zinc/55/21/32/484552132.db2.gz KGQBRDBPLHAODB-LSSIXWDNSA-N -1 0 372.443 -0.266 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C[C@H](C)S1(=O)=O ZINC000583746998 484552066 /nfs/dbraw/zinc/55/20/66/484552066.db2.gz KGQBRDBPLHAODB-MEQWQQMJSA-N -1 0 372.443 -0.266 20 0 FBADRM CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000583750270 484551831 /nfs/dbraw/zinc/55/18/31/484551831.db2.gz FRXZRYARTONCLV-SSDOTTSWSA-N -1 0 369.446 -0.599 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000583750271 484551299 /nfs/dbraw/zinc/55/12/99/484551299.db2.gz FRXZRYARTONCLV-ZETCQYMHSA-N -1 0 369.446 -0.599 20 0 FBADRM CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC000583752828 484551261 /nfs/dbraw/zinc/55/12/61/484551261.db2.gz DEBJSKCGRJIRQD-LLVKDONJSA-N -1 0 363.436 -0.712 20 0 FBADRM CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC000583752829 484552037 /nfs/dbraw/zinc/55/20/37/484552037.db2.gz DEBJSKCGRJIRQD-NSHDSACASA-N -1 0 363.436 -0.712 20 0 FBADRM CCCS(=O)(=O)NC1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC000583752985 484551715 /nfs/dbraw/zinc/55/17/15/484551715.db2.gz JFOLNFUQPALZFV-UHFFFAOYSA-N -1 0 363.436 -0.712 20 0 FBADRM O=C([O-])C(=O)N1CCN(CC(=O)NCCCOc2ccccc2F)CC1 ZINC000583756282 484551122 /nfs/dbraw/zinc/55/11/22/484551122.db2.gz XDXNOMJTXCAGAV-UHFFFAOYSA-N -1 0 367.377 -0.060 20 0 FBADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N(C)CC(=O)N1CCOCC1 ZINC000583757008 484553021 /nfs/dbraw/zinc/55/30/21/484553021.db2.gz ZEVZOMQRLZKFBL-UHFFFAOYSA-N -1 0 372.399 -0.122 20 0 FBADRM COC(=O)Cc1ccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cc1 ZINC000583789487 484554697 /nfs/dbraw/zinc/55/46/97/484554697.db2.gz WAYYREKWMQTHQI-UHFFFAOYSA-N -1 0 368.371 -0.330 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@]3(CCOC3)C2)c[nH]1 ZINC000583790269 484555157 /nfs/dbraw/zinc/55/51/57/484555157.db2.gz KQUGTVOWPYXZLW-HZMBPMFUSA-N -1 0 358.372 -0.087 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@]3(CCOC3)C2)c[nH]1 ZINC000583790270 484555307 /nfs/dbraw/zinc/55/53/07/484555307.db2.gz KQUGTVOWPYXZLW-IINYFYTJSA-N -1 0 358.372 -0.087 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)c[nH]1 ZINC000583790271 484554487 /nfs/dbraw/zinc/55/44/87/484554487.db2.gz KQUGTVOWPYXZLW-QMTHXVAHSA-N -1 0 358.372 -0.087 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)c[nH]1 ZINC000583790272 484555193 /nfs/dbraw/zinc/55/51/93/484555193.db2.gz KQUGTVOWPYXZLW-YGRLFVJLSA-N -1 0 358.372 -0.087 20 0 FBADRM O=C([O-])C(=O)N1CCN(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000583815767 484570740 /nfs/dbraw/zinc/57/07/40/484570740.db2.gz YYUQNPJILQRNAU-UHFFFAOYSA-N -1 0 374.397 -0.254 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)NC2(CC(=O)[O-])CC2)CC1 ZINC000583875381 484595450 /nfs/dbraw/zinc/59/54/50/484595450.db2.gz FUROQSUKCLNQBA-UHFFFAOYSA-N -1 0 354.450 -0.415 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c(C(=O)OC)s1 ZINC000583883711 484598079 /nfs/dbraw/zinc/59/80/79/484598079.db2.gz ZJELDBUXXFAYNH-RXMQYKEDSA-N -1 0 367.357 -0.955 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)Cc2cccc(F)c2F)CCS1(=O)=O ZINC000583934928 483402752 /nfs/dbraw/zinc/40/27/52/483402752.db2.gz CJAQBTFHBZDRCB-JTQLQIEISA-N -1 0 369.367 -0.022 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)Cc2cccc(F)c2F)CCS1(=O)=O ZINC000583934929 483402831 /nfs/dbraw/zinc/40/28/31/483402831.db2.gz CJAQBTFHBZDRCB-SNVBAGLBSA-N -1 0 369.367 -0.022 20 0 FBADRM Cc1cnc(N)c(S(=O)(=O)N[C@H](CCC(=O)[O-])CN2CCOCC2)c1 ZINC000583969796 483420942 /nfs/dbraw/zinc/42/09/42/483420942.db2.gz LWXZZMQKFVCBEL-GFCCVEGCSA-N -1 0 372.447 -0.184 20 0 FBADRM Cc1cnc(N)c(S(=O)(=O)N[C@@H](CCC(=O)[O-])CN2CCOCC2)c1 ZINC000583969797 483421066 /nfs/dbraw/zinc/42/10/66/483421066.db2.gz LWXZZMQKFVCBEL-LBPRGKRZSA-N -1 0 372.447 -0.184 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000583998259 483461434 /nfs/dbraw/zinc/46/14/34/483461434.db2.gz MBIJJSFCBYOPOP-MRVPVSSYSA-N -1 0 366.392 -0.164 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000583998260 483461491 /nfs/dbraw/zinc/46/14/91/483461491.db2.gz MBIJJSFCBYOPOP-QMMMGPOBSA-N -1 0 366.392 -0.164 20 0 FBADRM CCCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc1 ZINC000584005557 483476900 /nfs/dbraw/zinc/47/69/00/483476900.db2.gz XNFHSFONGYILMH-LLVKDONJSA-N -1 0 351.402 -0.406 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000584013011 483477508 /nfs/dbraw/zinc/47/75/08/483477508.db2.gz NJUIALAIRXTYQX-CYBMUJFWSA-N -1 0 371.415 -0.068 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000584013012 483478014 /nfs/dbraw/zinc/47/80/14/483478014.db2.gz NJUIALAIRXTYQX-ZDUSSCGKSA-N -1 0 371.415 -0.068 20 0 FBADRM COCCN(CCC(=O)[O-])S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000584028834 483490343 /nfs/dbraw/zinc/49/03/43/483490343.db2.gz GJVQPWMFIKIAGT-UHFFFAOYSA-N -1 0 366.417 -0.554 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)NC[C@H](OC)C(=O)[O-])OCC(=O)N2 ZINC000584030235 483492003 /nfs/dbraw/zinc/49/20/03/483492003.db2.gz CTJIXRNVXLZRID-JTQLQIEISA-N -1 0 360.344 -0.596 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)NC[C@@H](OC)C(=O)[O-])OCC(=O)N2 ZINC000584030236 483491741 /nfs/dbraw/zinc/49/17/41/483491741.db2.gz CTJIXRNVXLZRID-SNVBAGLBSA-N -1 0 360.344 -0.596 20 0 FBADRM CCN(CCCNC(=O)N[C@]1(C(=O)[O-])CCSC1)S(C)(=O)=O ZINC000584031004 483491840 /nfs/dbraw/zinc/49/18/40/483491840.db2.gz KOOWAOLFQVZLCJ-GFCCVEGCSA-N -1 0 353.466 -0.083 20 0 FBADRM CCN(CCCNC(=O)N[C@@]1(C(=O)[O-])CCSC1)S(C)(=O)=O ZINC000584031005 483492304 /nfs/dbraw/zinc/49/23/04/483492304.db2.gz KOOWAOLFQVZLCJ-LBPRGKRZSA-N -1 0 353.466 -0.083 20 0 FBADRM NC(=O)C[C@@H](NS(=O)(=O)c1cccc2c1OC(F)(F)O2)C(=O)[O-] ZINC000584040603 483579502 /nfs/dbraw/zinc/57/95/02/483579502.db2.gz WIXOYMPHXMMRLH-RXMQYKEDSA-N -1 0 352.271 -0.385 20 0 FBADRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCN(S(C)(=O)=O)CC1 ZINC000584058862 483580790 /nfs/dbraw/zinc/58/07/90/483580790.db2.gz QOLRJFXYYYOWMO-GFCCVEGCSA-N -1 0 369.443 -0.033 20 0 FBADRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCN(S(C)(=O)=O)CC1 ZINC000584058863 483580423 /nfs/dbraw/zinc/58/04/23/483580423.db2.gz QOLRJFXYYYOWMO-LBPRGKRZSA-N -1 0 369.443 -0.033 20 0 FBADRM O=S(=O)([N-]c1cn[nH]c1)c1ccc(S(=O)(=O)N2CC[C@H](O)C2)cc1 ZINC000584064307 483582586 /nfs/dbraw/zinc/58/25/86/483582586.db2.gz WVZSPGBFZFOTAT-NSHDSACASA-N -1 0 372.428 -0.034 20 0 FBADRM CCN(CCCNC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1)S(C)(=O)=O ZINC000584106346 483661985 /nfs/dbraw/zinc/66/19/85/483661985.db2.gz GGNJORBXAMRCTB-NEPJUHHUSA-N -1 0 365.452 -0.163 20 0 FBADRM CCN(CCCNC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1)S(C)(=O)=O ZINC000584106347 483662212 /nfs/dbraw/zinc/66/22/12/483662212.db2.gz GGNJORBXAMRCTB-NWDGAFQWSA-N -1 0 365.452 -0.163 20 0 FBADRM CCN(CCCNC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1)S(C)(=O)=O ZINC000584106348 483662209 /nfs/dbraw/zinc/66/22/09/483662209.db2.gz GGNJORBXAMRCTB-RYUDHWBXSA-N -1 0 365.452 -0.163 20 0 FBADRM CCN(CCCNC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1)S(C)(=O)=O ZINC000584106349 483662003 /nfs/dbraw/zinc/66/20/03/483662003.db2.gz GGNJORBXAMRCTB-VXGBXAGGSA-N -1 0 365.452 -0.163 20 0 FBADRM C[C@@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000584110944 483680346 /nfs/dbraw/zinc/68/03/46/483680346.db2.gz BNGPJPBHFUENSS-JTQLQIEISA-N -1 0 368.477 -0.075 20 0 FBADRM C[C@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000584110945 483680661 /nfs/dbraw/zinc/68/06/61/483680661.db2.gz BNGPJPBHFUENSS-SNVBAGLBSA-N -1 0 368.477 -0.075 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](S(C)(=O)=O)C2)C[C@H]1C(=O)[O-] ZINC000584113177 483698462 /nfs/dbraw/zinc/69/84/62/483698462.db2.gz DSOUZDFTQNFKIW-GRYCIOLGSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)C[C@H]1C(=O)[O-] ZINC000584113178 483698788 /nfs/dbraw/zinc/69/87/88/483698788.db2.gz DSOUZDFTQNFKIW-IJLUTSLNSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)C[C@@H]1C(=O)[O-] ZINC000584113179 483698647 /nfs/dbraw/zinc/69/86/47/483698647.db2.gz DSOUZDFTQNFKIW-UTUOFQBUSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](S(C)(=O)=O)C2)C[C@@H]1C(=O)[O-] ZINC000584113180 483698624 /nfs/dbraw/zinc/69/86/24/483698624.db2.gz DSOUZDFTQNFKIW-WOPDTQHZSA-N -1 0 360.432 -0.409 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000584117002 483698855 /nfs/dbraw/zinc/69/88/55/483698855.db2.gz RFQGFWRTKMOPBL-JTQLQIEISA-N -1 0 361.445 -0.153 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000584117003 483698390 /nfs/dbraw/zinc/69/83/90/483698390.db2.gz RFQGFWRTKMOPBL-SNVBAGLBSA-N -1 0 361.445 -0.153 20 0 FBADRM CS(=O)(=O)NCCN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1 ZINC000584123492 483699313 /nfs/dbraw/zinc/69/93/13/483699313.db2.gz XSUHQVBCPAGGLT-UHFFFAOYSA-N -1 0 367.387 -0.410 20 0 FBADRM O=S(=O)([N-]c1c[nH]cn1)c1ccccc1S(=O)(=O)N1CC[C@H](O)C1 ZINC000584124008 483699411 /nfs/dbraw/zinc/69/94/11/483699411.db2.gz QDECCHOLPROWPI-JTQLQIEISA-N -1 0 372.428 -0.034 20 0 FBADRM CS(=O)(=O)N1CCC(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000584170609 483700449 /nfs/dbraw/zinc/70/04/49/483700449.db2.gz AFHRXBLNNPNMEC-UHFFFAOYSA-N -1 0 365.433 -0.337 20 0 FBADRM CCOc1ccncc1S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000584175765 483701543 /nfs/dbraw/zinc/70/15/43/483701543.db2.gz KNJBMBWTRIDOHO-JTQLQIEISA-N -1 0 357.388 -0.308 20 0 FBADRM CCOc1ccncc1S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000584175766 483701271 /nfs/dbraw/zinc/70/12/71/483701271.db2.gz KNJBMBWTRIDOHO-SNVBAGLBSA-N -1 0 357.388 -0.308 20 0 FBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000584175813 483701550 /nfs/dbraw/zinc/70/15/50/483701550.db2.gz MLPMNTODWSTDAK-LLVKDONJSA-N -1 0 372.465 -0.981 20 0 FBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000584175814 483701253 /nfs/dbraw/zinc/70/12/53/483701253.db2.gz MLPMNTODWSTDAK-NSHDSACASA-N -1 0 372.465 -0.981 20 0 FBADRM CC(C)[C@H](C(=O)[O-])C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000584176011 483701677 /nfs/dbraw/zinc/70/16/77/483701677.db2.gz SWBWFGYMESNNBJ-AWEZNQCLSA-N -1 0 363.418 -0.012 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000584176012 483701613 /nfs/dbraw/zinc/70/16/13/483701613.db2.gz SWBWFGYMESNNBJ-CQSZACIVSA-N -1 0 363.418 -0.012 20 0 FBADRM CN(C)C(=O)COC1CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1 ZINC000584176352 483701607 /nfs/dbraw/zinc/70/16/07/483701607.db2.gz FUAQYKDIFAOGEP-UHFFFAOYSA-N -1 0 356.400 -0.209 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCn2nncc2C1 ZINC000584182917 483701972 /nfs/dbraw/zinc/70/19/72/483701972.db2.gz PBZDCBZZWRELQR-UHFFFAOYSA-N -1 0 357.342 -0.123 20 0 FBADRM CCS(=O)(=O)N(C)CC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC000584184137 483702071 /nfs/dbraw/zinc/70/20/71/483702071.db2.gz NQZCSQMKYMJZOQ-UHFFFAOYSA-N -1 0 359.408 -0.579 20 0 FBADRM CC(=O)N(C)c1ccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cc1 ZINC000584209106 483702974 /nfs/dbraw/zinc/70/29/74/483702974.db2.gz RJTDOFOZXCKYMX-UHFFFAOYSA-N -1 0 367.387 -0.063 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000584209762 483702860 /nfs/dbraw/zinc/70/28/60/483702860.db2.gz PKMRPLBRJOYJKW-NEPJUHHUSA-N -1 0 365.452 -0.163 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000584209763 483702898 /nfs/dbraw/zinc/70/28/98/483702898.db2.gz PKMRPLBRJOYJKW-NWDGAFQWSA-N -1 0 365.452 -0.163 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000584209764 483702764 /nfs/dbraw/zinc/70/27/64/483702764.db2.gz PKMRPLBRJOYJKW-RYUDHWBXSA-N -1 0 365.452 -0.163 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000584209765 483702703 /nfs/dbraw/zinc/70/27/03/483702703.db2.gz PKMRPLBRJOYJKW-VXGBXAGGSA-N -1 0 365.452 -0.163 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC(C)(C)C[C@H]1C(=O)[O-] ZINC000584210019 483702961 /nfs/dbraw/zinc/70/29/61/483702961.db2.gz PSYQAKRBQWTXRU-JTQLQIEISA-N -1 0 356.466 -0.169 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC(C)(C)C[C@@H]1C(=O)[O-] ZINC000584210020 483702941 /nfs/dbraw/zinc/70/29/41/483702941.db2.gz PSYQAKRBQWTXRU-SNVBAGLBSA-N -1 0 356.466 -0.169 20 0 FBADRM COc1cc(NC(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)nn1C ZINC000584221564 484417484 /nfs/dbraw/zinc/41/74/84/484417484.db2.gz UHGWFBYRDYFMNR-BXKDBHETSA-N -1 0 353.379 0.260 20 0 FBADRM COc1cc(NC(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)nn1C ZINC000584221565 484417148 /nfs/dbraw/zinc/41/71/48/484417148.db2.gz UHGWFBYRDYFMNR-CABZTGNLSA-N -1 0 353.379 0.260 20 0 FBADRM COc1cc(NC(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)nn1C ZINC000584221566 484418040 /nfs/dbraw/zinc/41/80/40/484418040.db2.gz UHGWFBYRDYFMNR-JOYOIKCWSA-N -1 0 353.379 0.260 20 0 FBADRM COc1cc(NC(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)nn1C ZINC000584221567 484417679 /nfs/dbraw/zinc/41/76/79/484417679.db2.gz UHGWFBYRDYFMNR-SKDRFNHKSA-N -1 0 353.379 0.260 20 0 FBADRM C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000584226126 483703547 /nfs/dbraw/zinc/70/35/47/483703547.db2.gz RBUYZAYWMFHJKW-APNQJHFZSA-N -1 0 354.403 -0.302 20 0 FBADRM C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000584226127 483703189 /nfs/dbraw/zinc/70/31/89/483703189.db2.gz RBUYZAYWMFHJKW-IPJQOSJUSA-N -1 0 354.403 -0.302 20 0 FBADRM C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000584226128 483703392 /nfs/dbraw/zinc/70/33/92/483703392.db2.gz RBUYZAYWMFHJKW-NEULZYRMSA-N -1 0 354.403 -0.302 20 0 FBADRM C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000584226129 483703117 /nfs/dbraw/zinc/70/31/17/483703117.db2.gz RBUYZAYWMFHJKW-ZOPJHEKZSA-N -1 0 354.403 -0.302 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000584230242 483703576 /nfs/dbraw/zinc/70/35/76/483703576.db2.gz TUFUFOYRRKPSRO-LLVKDONJSA-N -1 0 354.450 -0.606 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC000584230243 483703596 /nfs/dbraw/zinc/70/35/96/483703596.db2.gz TUFUFOYRRKPSRO-NSHDSACASA-N -1 0 354.450 -0.606 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC([C@@H]2OCC[C@H]2C(=O)[O-])CC1 ZINC000584235358 483703475 /nfs/dbraw/zinc/70/34/75/483703475.db2.gz QIMOFFCGCLVPCQ-RTXFEEFZSA-N -1 0 362.448 -0.005 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC([C@@H]2OCC[C@H]2C(=O)[O-])CC1 ZINC000584235359 483703255 /nfs/dbraw/zinc/70/32/55/483703255.db2.gz QIMOFFCGCLVPCQ-UHTWSYAYSA-N -1 0 362.448 -0.005 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cn[nH]c2)cc1 ZINC000584242520 657883088 /nfs/dbraw/zinc/88/30/88/657883088.db2.gz WRBOBMQDBVDZPY-UHFFFAOYSA-N -1 0 360.417 -0.177 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc1C(=O)NCC(F)(F)F ZINC000584242614 657884019 /nfs/dbraw/zinc/88/40/19/657884019.db2.gz AEZYGHWHDXYYEJ-MRVPVSSYSA-N -1 0 373.309 -0.959 20 0 FBADRM O=C([O-])[C@H](O)CNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000584242811 657882979 /nfs/dbraw/zinc/88/29/79/657882979.db2.gz GGZKKOSYOIOLQD-LLVKDONJSA-N -1 0 356.356 -0.962 20 0 FBADRM CC(C)(C)OC(=O)C[C@H](NC(=O)N1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000584269381 483825966 /nfs/dbraw/zinc/82/59/66/483825966.db2.gz VGJUIKAAWXFVSH-VIFPVBQESA-N -1 0 350.393 -0.389 20 0 FBADRM CN(Cc1cccc(O)c1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000584286435 483833358 /nfs/dbraw/zinc/83/33/58/483833358.db2.gz OZQRJTDPRAGAAZ-GFCCVEGCSA-N -1 0 370.383 -0.939 20 0 FBADRM CN(Cc1cccc(O)c1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000584286436 483833349 /nfs/dbraw/zinc/83/33/49/483833349.db2.gz OZQRJTDPRAGAAZ-LBPRGKRZSA-N -1 0 370.383 -0.939 20 0 FBADRM CNC(=O)CN(C)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000584310378 483842949 /nfs/dbraw/zinc/84/29/49/483842949.db2.gz NVXCSWMNPYGWAH-JTQLQIEISA-N -1 0 369.399 -0.509 20 0 FBADRM CNC(=O)CN(C)S(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000584310379 483842863 /nfs/dbraw/zinc/84/28/63/483842863.db2.gz NVXCSWMNPYGWAH-SNVBAGLBSA-N -1 0 369.399 -0.509 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1ccccc1Cn1cncn1 ZINC000584330725 483430068 /nfs/dbraw/zinc/43/00/68/483430068.db2.gz AJHHFDAEKZVVBJ-UHFFFAOYSA-N -1 0 367.387 -0.804 20 0 FBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)O1 ZINC000584350817 657892826 /nfs/dbraw/zinc/89/28/26/657892826.db2.gz DKQQQNXKBIODJD-GRYCIOLGSA-N -1 0 364.420 -0.777 20 0 FBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)O1 ZINC000584350818 657893009 /nfs/dbraw/zinc/89/30/09/657893009.db2.gz DKQQQNXKBIODJD-SDDRHHMPSA-N -1 0 364.420 -0.777 20 0 FBADRM CC(CO)(CO)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000584355541 484294514 /nfs/dbraw/zinc/29/45/14/484294514.db2.gz AONZYKDJJVERMS-UHFFFAOYSA-N -1 0 352.359 -0.650 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)NCCCC(=O)[O-])CC2)cn1C ZINC000584410796 484546490 /nfs/dbraw/zinc/54/64/90/484546490.db2.gz XGKOYVHLFRLPOC-UHFFFAOYSA-N -1 0 373.435 -0.391 20 0 FBADRM CC1(O)CN(S(=O)(=O)c2ccc(S(=O)(=O)[N-]c3cn[nH]c3)cc2)C1 ZINC000584421584 484548382 /nfs/dbraw/zinc/54/83/82/484548382.db2.gz WBBZQZZUVHKKAG-UHFFFAOYSA-N -1 0 372.428 -0.034 20 0 FBADRM CC(C)c1nc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)cn1C ZINC000584454270 484576045 /nfs/dbraw/zinc/57/60/45/484576045.db2.gz JJTAPGGAPGYJPI-JTQLQIEISA-N -1 0 358.420 -0.245 20 0 FBADRM CC(C)c1nc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)cn1C ZINC000584454271 484575606 /nfs/dbraw/zinc/57/56/06/484575606.db2.gz JJTAPGGAPGYJPI-SNVBAGLBSA-N -1 0 358.420 -0.245 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@H]2CC3CCC2CC3)CCS1(=O)=O ZINC000584470201 484579819 /nfs/dbraw/zinc/57/98/19/484579819.db2.gz OROKTCVGJCVFIU-FIYWTHMPSA-N -1 0 372.443 -0.361 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC3CCC2CC3)CCS1(=O)=O ZINC000584470202 484578942 /nfs/dbraw/zinc/57/89/42/484578942.db2.gz OROKTCVGJCVFIU-IFWUJCSASA-N -1 0 372.443 -0.361 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC3CCC2CC3)CCS1(=O)=O ZINC000584470203 484579610 /nfs/dbraw/zinc/57/96/10/484579610.db2.gz OROKTCVGJCVFIU-TUUUFIMRSA-N -1 0 372.443 -0.361 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC3CCC2CC3)CCS1(=O)=O ZINC000584470204 484578688 /nfs/dbraw/zinc/57/86/88/484578688.db2.gz OROKTCVGJCVFIU-TYUFSLCMSA-N -1 0 372.443 -0.361 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[S@](=O)C2)C[C@H]1c1ccccc1 ZINC000584470242 484578950 /nfs/dbraw/zinc/57/89/50/484578950.db2.gz QJEIOEPVOPUQKR-BIOVLVDOSA-N -1 0 364.423 -0.050 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[S@](=O)C2)C[C@H]1c1ccccc1 ZINC000584470243 484579834 /nfs/dbraw/zinc/57/98/34/484579834.db2.gz QJEIOEPVOPUQKR-NDNZESCASA-N -1 0 364.423 -0.050 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[S@@](=O)C2)C[C@H]1c1ccccc1 ZINC000584470244 484579158 /nfs/dbraw/zinc/57/91/58/484579158.db2.gz QJEIOEPVOPUQKR-NUMXPNTOSA-N -1 0 364.423 -0.050 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[S@@](=O)C2)C[C@H]1c1ccccc1 ZINC000584470245 484578999 /nfs/dbraw/zinc/57/89/99/484578999.db2.gz QJEIOEPVOPUQKR-RWDAEAOXSA-N -1 0 364.423 -0.050 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCn2cccc2[C@@H]1C(=O)[O-] ZINC000584525232 484588057 /nfs/dbraw/zinc/58/80/57/484588057.db2.gz YLYBALIHFASBPK-CYBMUJFWSA-N -1 0 361.420 -0.231 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCn2cccc2[C@H]1C(=O)[O-] ZINC000584525233 484587863 /nfs/dbraw/zinc/58/78/63/484587863.db2.gz YLYBALIHFASBPK-ZDUSSCGKSA-N -1 0 361.420 -0.231 20 0 FBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)O1 ZINC000584529608 484587422 /nfs/dbraw/zinc/58/74/22/484587422.db2.gz PTGGUIVTBYJCFW-NWDGAFQWSA-N -1 0 352.347 -0.687 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CCO1 ZINC000584544704 484589426 /nfs/dbraw/zinc/58/94/26/484589426.db2.gz PRNDGYAQVCANOU-JTQLQIEISA-N -1 0 355.328 -0.485 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CCO1 ZINC000584544705 484588726 /nfs/dbraw/zinc/58/87/26/484588726.db2.gz PRNDGYAQVCANOU-SNVBAGLBSA-N -1 0 355.328 -0.485 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)NC1(C(=O)[O-])Cc2ccccc2C1 ZINC000584699004 484603532 /nfs/dbraw/zinc/60/35/32/484603532.db2.gz WYNYYHQRHNPZPN-UHFFFAOYSA-N -1 0 361.441 -0.037 20 0 FBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000584717825 484603120 /nfs/dbraw/zinc/60/31/20/484603120.db2.gz WXPSSCMKQMLGKX-NEPJUHHUSA-N -1 0 355.420 -0.171 20 0 FBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000584717827 484603851 /nfs/dbraw/zinc/60/38/51/484603851.db2.gz WXPSSCMKQMLGKX-NWDGAFQWSA-N -1 0 355.420 -0.171 20 0 FBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000584717828 484603889 /nfs/dbraw/zinc/60/38/89/484603889.db2.gz WXPSSCMKQMLGKX-RYUDHWBXSA-N -1 0 355.420 -0.171 20 0 FBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000584717830 484603434 /nfs/dbraw/zinc/60/34/34/484603434.db2.gz WXPSSCMKQMLGKX-VXGBXAGGSA-N -1 0 355.420 -0.171 20 0 FBADRM Cn1c(=O)ccn(CC(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)c1=O ZINC000584722051 484604320 /nfs/dbraw/zinc/60/43/20/484604320.db2.gz DRJUUUKMJTWMRS-UHFFFAOYSA-N -1 0 358.354 -0.166 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC000584731714 484606349 /nfs/dbraw/zinc/60/63/49/484606349.db2.gz HRMQKPIDIWEQSU-LLVKDONJSA-N -1 0 350.418 -0.054 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC000584731715 484606450 /nfs/dbraw/zinc/60/64/50/484606450.db2.gz HRMQKPIDIWEQSU-NSHDSACASA-N -1 0 350.418 -0.054 20 0 FBADRM Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2nc(=O)o[n-]2)cc1C ZINC000584760179 484606759 /nfs/dbraw/zinc/60/67/59/484606759.db2.gz MNPJPCQFRUWUSZ-UHFFFAOYSA-N -1 0 368.415 -0.041 20 0 FBADRM COCCN(CCOC)S(=O)(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000584778492 484607637 /nfs/dbraw/zinc/60/76/37/484607637.db2.gz KDIDFUIDSMADPQ-UHFFFAOYSA-N -1 0 367.449 -0.187 20 0 FBADRM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C(=O)NCCCC(=O)[O-] ZINC000584782324 484607154 /nfs/dbraw/zinc/60/71/54/484607154.db2.gz YZAYVDMKSWJPNE-JTQLQIEISA-N -1 0 371.415 -0.166 20 0 FBADRM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C(=O)NCCCC(=O)[O-] ZINC000584782326 484608235 /nfs/dbraw/zinc/60/82/35/484608235.db2.gz YZAYVDMKSWJPNE-SNVBAGLBSA-N -1 0 371.415 -0.166 20 0 FBADRM C[C@H]1OCCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H]1C(=O)[O-] ZINC000584817037 484611149 /nfs/dbraw/zinc/61/11/49/484611149.db2.gz WIFULEQHRFRILC-KCJUWKMLSA-N -1 0 364.401 -0.803 20 0 FBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000584838010 484612415 /nfs/dbraw/zinc/61/24/15/484612415.db2.gz NFDSHWBHECVSEU-LLVKDONJSA-N -1 0 373.435 -0.845 20 0 FBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000584838011 484612396 /nfs/dbraw/zinc/61/23/96/484612396.db2.gz NFDSHWBHECVSEU-NSHDSACASA-N -1 0 373.435 -0.845 20 0 FBADRM Cn1nnc2c1C[C@@H](C(=O)Nc1nnc([N-]S(C)(=O)=O)s1)CC2 ZINC000584867357 484613622 /nfs/dbraw/zinc/61/36/22/484613622.db2.gz BWOXYBDMNVDRCW-LURJTMIESA-N -1 0 357.421 -0.218 20 0 FBADRM Cn1nnc2c1C[C@H](C(=O)Nc1nnc([N-]S(C)(=O)=O)s1)CC2 ZINC000584867361 484613094 /nfs/dbraw/zinc/61/30/94/484613094.db2.gz BWOXYBDMNVDRCW-ZCFIWIBFSA-N -1 0 357.421 -0.218 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NC[C@@H]1COCCO1 ZINC000584867841 484612698 /nfs/dbraw/zinc/61/26/98/484612698.db2.gz MKZXMUBAHXMOPC-SECBINFHSA-N -1 0 350.343 -0.225 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NC[C@H]1COCCO1 ZINC000584867842 484613216 /nfs/dbraw/zinc/61/32/16/484613216.db2.gz MKZXMUBAHXMOPC-VIFPVBQESA-N -1 0 350.343 -0.225 20 0 FBADRM CCOC(=O)c1cnc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)[n-]1 ZINC000585681908 484094229 /nfs/dbraw/zinc/09/42/29/484094229.db2.gz LTWJFVNOSYRORH-UHFFFAOYSA-N -1 0 372.341 -0.216 20 0 FBADRM CCOC(=O)c1nc([N-]S(=O)(=O)c2cnn(CC(=O)OC)c2)c[nH]1 ZINC000585731014 484097425 /nfs/dbraw/zinc/09/74/25/484097425.db2.gz XVAGCZOEGTWHDY-UHFFFAOYSA-N -1 0 357.348 -0.243 20 0 FBADRM O=C(NCCCN1CCCS1(=O)=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000585734218 484097410 /nfs/dbraw/zinc/09/74/10/484097410.db2.gz UZXRMKHTXFYIGW-UHFFFAOYSA-N -1 0 367.387 -0.409 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCN(C(=O)C3CC3)CC2)cn1C ZINC000586658926 484109592 /nfs/dbraw/zinc/10/95/92/484109592.db2.gz TUCIATHJXGLFDC-UHFFFAOYSA-N -1 0 369.447 -0.912 20 0 FBADRM COC(=O)COc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)cc1 ZINC000586660595 484109070 /nfs/dbraw/zinc/10/90/70/484109070.db2.gz GAULBBWSLDHVSL-UHFFFAOYSA-N -1 0 354.344 -0.139 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)Cn2nc(-c3ccccc3)oc2=O)n[n-]1 ZINC000586757301 484113343 /nfs/dbraw/zinc/11/33/43/484113343.db2.gz GYNUXWDGOQREQC-UHFFFAOYSA-N -1 0 364.343 -0.336 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N(C)CCC(N)=O)cc2)[n-]1 ZINC000588058353 484335316 /nfs/dbraw/zinc/33/53/16/484335316.db2.gz DJAHUKJTFXAKRA-UHFFFAOYSA-N -1 0 360.370 -0.172 20 0 FBADRM C[C@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)N1C(=O)NC2(CCCC2)C1=O ZINC000588216487 484341501 /nfs/dbraw/zinc/34/15/01/484341501.db2.gz MIPTXIFPCAPTIY-SSDOTTSWSA-N -1 0 370.391 -0.600 20 0 FBADRM C[C@@H](C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)N1C(=O)NC2(CCCC2)C1=O ZINC000588216490 484341237 /nfs/dbraw/zinc/34/12/37/484341237.db2.gz MIPTXIFPCAPTIY-ZETCQYMHSA-N -1 0 370.391 -0.600 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)Cn2cc(C(=O)OC)nn2)ccc1[O-] ZINC000588830633 483765179 /nfs/dbraw/zinc/76/51/79/483765179.db2.gz GQBKZLKLMABMDB-UHFFFAOYSA-N -1 0 369.359 -0.683 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCS(=O)(=O)C1 ZINC000589125970 484369063 /nfs/dbraw/zinc/36/90/63/484369063.db2.gz RFWIAQWXXAGBFI-HTQZYQBOSA-N -1 0 367.367 -0.023 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1CCS(=O)(=O)C1 ZINC000589125973 484369147 /nfs/dbraw/zinc/36/91/47/484369147.db2.gz RFWIAQWXXAGBFI-JGVFFNPUSA-N -1 0 367.367 -0.023 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCS(=O)(=O)C1 ZINC000589125975 484368515 /nfs/dbraw/zinc/36/85/15/484368515.db2.gz RFWIAQWXXAGBFI-SFYZADRCSA-N -1 0 367.367 -0.023 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1CCS(=O)(=O)C1 ZINC000589125977 484368633 /nfs/dbraw/zinc/36/86/33/484368633.db2.gz RFWIAQWXXAGBFI-YUMQZZPRSA-N -1 0 367.367 -0.023 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CO)C(=O)OC ZINC000589127816 484369000 /nfs/dbraw/zinc/36/90/00/484369000.db2.gz SIKGDZNJJPNICW-RNFRBKRXSA-N -1 0 351.299 -0.676 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CO)C(=O)OC ZINC000589127817 484369204 /nfs/dbraw/zinc/36/92/04/484369204.db2.gz SIKGDZNJJPNICW-RQJHMYQMSA-N -1 0 351.299 -0.676 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]c2cccc(C(=O)NCC(N)=O)c2)cn1C ZINC000589147887 484368595 /nfs/dbraw/zinc/36/85/95/484368595.db2.gz CXSHJCRJJPHBPJ-UHFFFAOYSA-N -1 0 351.388 -0.256 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(N)=O)cc2)cn1C ZINC000589148883 484369551 /nfs/dbraw/zinc/36/95/51/484369551.db2.gz FCNIKDCUWPBYBD-UHFFFAOYSA-N -1 0 351.388 -0.256 20 0 FBADRM CN(C)C(=O)CN1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CC1 ZINC000589150381 484369225 /nfs/dbraw/zinc/36/92/25/484369225.db2.gz VTYBPVJBLDOMLJ-UHFFFAOYSA-N -1 0 365.459 -0.286 20 0 FBADRM COC(=O)C[C@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCCC1)C(=O)OC ZINC000589214767 484371969 /nfs/dbraw/zinc/37/19/69/484371969.db2.gz WTOYFQYJODEEAS-JTQLQIEISA-N -1 0 365.404 -0.256 20 0 FBADRM COC(=O)C[C@@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCCC1)C(=O)OC ZINC000589214774 484371962 /nfs/dbraw/zinc/37/19/62/484371962.db2.gz WTOYFQYJODEEAS-SNVBAGLBSA-N -1 0 365.404 -0.256 20 0 FBADRM NC(=O)c1cnc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000589264877 484374092 /nfs/dbraw/zinc/37/40/92/484374092.db2.gz DFWVBXQHNAMCQR-UHFFFAOYSA-N -1 0 362.414 -0.310 20 0 FBADRM NC(=O)c1cnc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)s1 ZINC000589265205 484374409 /nfs/dbraw/zinc/37/44/09/484374409.db2.gz UOECKUUURWUTBQ-UHFFFAOYSA-N -1 0 362.414 -0.310 20 0 FBADRM CCOC(=O)Cc1cccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000589291039 484374637 /nfs/dbraw/zinc/37/46/37/484374637.db2.gz HSWBRBWFRCJGPW-UHFFFAOYSA-N -1 0 355.372 -0.011 20 0 FBADRM COCC[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)OC ZINC000589307558 484375637 /nfs/dbraw/zinc/37/56/37/484375637.db2.gz ZZNSEOAHAAJLGP-SECBINFHSA-N -1 0 372.359 -0.708 20 0 FBADRM COCC[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)OC ZINC000589307559 484376070 /nfs/dbraw/zinc/37/60/70/484376070.db2.gz ZZNSEOAHAAJLGP-VIFPVBQESA-N -1 0 372.359 -0.708 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]c2cccc(C(=O)NCC(N)=O)c2)cn1 ZINC000589432141 484379563 /nfs/dbraw/zinc/37/95/63/484379563.db2.gz DZEDKNIIEBJZGW-UHFFFAOYSA-N -1 0 351.388 -0.081 20 0 FBADRM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)s1 ZINC000589433313 484379223 /nfs/dbraw/zinc/37/92/23/484379223.db2.gz SXZXOVYDGHWCDE-UHFFFAOYSA-N -1 0 358.405 -0.107 20 0 FBADRM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)s1 ZINC000589434046 484379615 /nfs/dbraw/zinc/37/96/15/484379615.db2.gz ZYGRNAXWLSZEAW-UHFFFAOYSA-N -1 0 358.405 -0.107 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(N)=O)cc2)cn1 ZINC000589434679 484379901 /nfs/dbraw/zinc/37/99/01/484379901.db2.gz MIEUJVWJDWLZMN-UHFFFAOYSA-N -1 0 351.388 -0.081 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(=O)N(C)C)c2)cn1C ZINC000589437569 484379645 /nfs/dbraw/zinc/37/96/45/484379645.db2.gz JLPNAFVRSDQJLQ-UHFFFAOYSA-N -1 0 368.419 -0.530 20 0 FBADRM CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)cn1 ZINC000589437650 484379100 /nfs/dbraw/zinc/37/91/00/484379100.db2.gz SRMKHWJBIFEWPR-UHFFFAOYSA-N -1 0 351.388 -0.129 20 0 FBADRM CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)cn1 ZINC000589437654 484379548 /nfs/dbraw/zinc/37/95/48/484379548.db2.gz TZDKJCXKMWZPPF-UHFFFAOYSA-N -1 0 351.388 -0.129 20 0 FBADRM COC(=O)[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@H](C)O ZINC000589488586 484380288 /nfs/dbraw/zinc/38/02/88/484380288.db2.gz NIUWODAHDWWVCL-CPCISQLKSA-N -1 0 366.342 -0.718 20 0 FBADRM COC(=O)[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@@H](C)O ZINC000589488587 484381113 /nfs/dbraw/zinc/38/11/13/484381113.db2.gz NIUWODAHDWWVCL-HQJQHLMTSA-N -1 0 366.342 -0.718 20 0 FBADRM COC(=O)[C@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@@H](C)O ZINC000589488588 484380356 /nfs/dbraw/zinc/38/03/56/484380356.db2.gz NIUWODAHDWWVCL-RDDDGLTNSA-N -1 0 366.342 -0.718 20 0 FBADRM COC(=O)[C@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@H](C)O ZINC000589488589 484380580 /nfs/dbraw/zinc/38/05/80/484380580.db2.gz NIUWODAHDWWVCL-WRWORJQWSA-N -1 0 366.342 -0.718 20 0 FBADRM CCOC(=O)[C@H](CO)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000589490433 484380683 /nfs/dbraw/zinc/38/06/83/484380683.db2.gz YJWNZLKXQNQOHW-JTQLQIEISA-N -1 0 366.342 -0.717 20 0 FBADRM CCOC(=O)[C@@H](CO)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000589490434 484380824 /nfs/dbraw/zinc/38/08/24/484380824.db2.gz YJWNZLKXQNQOHW-SNVBAGLBSA-N -1 0 366.342 -0.717 20 0 FBADRM COC(=O)[C@@H](CF)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000589522279 484382922 /nfs/dbraw/zinc/38/29/22/484382922.db2.gz GNNJARBOMKHNKG-SECBINFHSA-N -1 0 354.306 -0.130 20 0 FBADRM COC(=O)[C@H](CF)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000589522283 484382425 /nfs/dbraw/zinc/38/24/25/484382425.db2.gz GNNJARBOMKHNKG-VIFPVBQESA-N -1 0 354.306 -0.130 20 0 FBADRM COC(=O)C1(CS(=O)(=O)NCCC(=O)NCC(=O)[O-])CCCC1 ZINC000589547842 484382416 /nfs/dbraw/zinc/38/24/16/484382416.db2.gz WPQPPDGZFNGJDS-UHFFFAOYSA-N -1 0 350.393 -0.770 20 0 FBADRM NC(=O)c1cccc(S([O-])=CC(=O)N2CCN(C(=O)C3CC3)CC2)c1 ZINC000589549408 484382870 /nfs/dbraw/zinc/38/28/70/484382870.db2.gz YSLRZGHBOATSNP-RUZDIDTESA-N -1 0 363.439 -0.026 20 0 FBADRM NC(=O)c1cccc(S([O-])=CC(=O)N2CCN(C(=O)C3CC3)CC2)c1 ZINC000589549410 484382336 /nfs/dbraw/zinc/38/23/36/484382336.db2.gz YSLRZGHBOATSNP-VWLOTQADSA-N -1 0 363.439 -0.026 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(CC(=O)OC)c2)n1 ZINC000589585121 484383941 /nfs/dbraw/zinc/38/39/41/484383941.db2.gz RZWQRMXYWHEXSB-UHFFFAOYSA-N -1 0 367.387 -0.460 20 0 FBADRM CCOC[C@@H](NS(=O)(=O)N1CCC[C@@H](C(=O)OCC)C1)C(=O)[O-] ZINC000589682978 484384802 /nfs/dbraw/zinc/38/48/02/484384802.db2.gz MXRCISJIJZBHDV-GHMZBOCLSA-N -1 0 352.409 -0.414 20 0 FBADRM CCOC[C@@H](NS(=O)(=O)N1CCC[C@H](C(=O)OCC)C1)C(=O)[O-] ZINC000589682979 484385469 /nfs/dbraw/zinc/38/54/69/484385469.db2.gz MXRCISJIJZBHDV-WDEREUQCSA-N -1 0 352.409 -0.414 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)CNC(=O)c2ccc(O)cc2)s1 ZINC000589689001 484386357 /nfs/dbraw/zinc/38/63/57/484386357.db2.gz IKIFEJSEGKVGFQ-UHFFFAOYSA-N -1 0 371.400 -0.016 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)[C@@H](C)N2C(=O)CCC2=O)s1 ZINC000589941183 484394410 /nfs/dbraw/zinc/39/44/10/484394410.db2.gz FHJKLOFGBUAWCS-MRVPVSSYSA-N -1 0 359.429 -0.190 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)[C@H](C)N2C(=O)CCC2=O)s1 ZINC000589941188 484394784 /nfs/dbraw/zinc/39/47/84/484394784.db2.gz FHJKLOFGBUAWCS-QMMMGPOBSA-N -1 0 359.429 -0.190 20 0 FBADRM C[C@H](C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)N1C(=O)CCC1=O ZINC000589946861 484394533 /nfs/dbraw/zinc/39/45/33/484394533.db2.gz SRKZJHFAMGUVGO-MGNBDDOMSA-N -1 0 372.381 -0.105 20 0 FBADRM C[C@H](C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)N1C(=O)CCC1=O ZINC000589946867 484394270 /nfs/dbraw/zinc/39/42/70/484394270.db2.gz SRKZJHFAMGUVGO-MLCYQJTMSA-N -1 0 372.381 -0.105 20 0 FBADRM C[C@@H](C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)N1C(=O)CCC1=O ZINC000589946869 484393792 /nfs/dbraw/zinc/39/37/92/484393792.db2.gz SRKZJHFAMGUVGO-XTZNXHDOSA-N -1 0 372.381 -0.105 20 0 FBADRM C[C@@H](C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)N1C(=O)CCC1=O ZINC000589946873 484394463 /nfs/dbraw/zinc/39/44/63/484394463.db2.gz SRKZJHFAMGUVGO-YPMLDQLKSA-N -1 0 372.381 -0.105 20 0 FBADRM COC(=O)[C@H]([C@@H](C)O)N(Cc1ccccc1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000589954143 484394028 /nfs/dbraw/zinc/39/40/28/484394028.db2.gz RZZZQTRQMBZPDD-SKDRFNHKSA-N -1 0 362.342 -0.152 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)c2ccc(N3CCCC3)nn2)s1 ZINC000590103227 484468984 /nfs/dbraw/zinc/46/89/84/484468984.db2.gz QGLWLMOFZMISJU-UHFFFAOYSA-N -1 0 369.432 0.552 20 0 FBADRM CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC000590118266 484399457 /nfs/dbraw/zinc/39/94/57/484399457.db2.gz ACRGLRAAWVRNHR-UHFFFAOYSA-N -1 0 366.403 -0.619 20 0 FBADRM CCOC(=O)c1cc(COC)cc(NC(=O)C(=O)NCc2nnn[n-]2)c1 ZINC000590226976 484411357 /nfs/dbraw/zinc/41/13/57/484411357.db2.gz KCYYCFNXGVSDRW-UHFFFAOYSA-N -1 0 362.346 -0.222 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC000590599364 483576595 /nfs/dbraw/zinc/57/65/95/483576595.db2.gz BTTCRIWIKIFINJ-CHWSQXEVSA-N -1 0 371.415 -0.061 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC000590599365 483575959 /nfs/dbraw/zinc/57/59/59/483575959.db2.gz BTTCRIWIKIFINJ-OLZOCXBDSA-N -1 0 371.415 -0.061 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000590599366 483576453 /nfs/dbraw/zinc/57/64/53/483576453.db2.gz BTTCRIWIKIFINJ-QWHCGFSZSA-N -1 0 371.415 -0.061 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000590599367 483575945 /nfs/dbraw/zinc/57/59/45/483575945.db2.gz BTTCRIWIKIFINJ-STQMWFEESA-N -1 0 371.415 -0.061 20 0 FBADRM COC(=O)COc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000590642845 483576923 /nfs/dbraw/zinc/57/69/23/483576923.db2.gz HLUKWGVYXSMURT-GFCCVEGCSA-N -1 0 359.356 -0.288 20 0 FBADRM COC(=O)COc1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000590642862 483576641 /nfs/dbraw/zinc/57/66/41/483576641.db2.gz HLUKWGVYXSMURT-LBPRGKRZSA-N -1 0 359.356 -0.288 20 0 FBADRM O=C([O-])[C@H]1COCCN1CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000590643357 483575997 /nfs/dbraw/zinc/57/59/97/483575997.db2.gz GPYUYVOXGULTOI-LLVKDONJSA-N -1 0 365.342 -0.109 20 0 FBADRM O=C([O-])[C@@H]1COCCN1CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000590643358 483576324 /nfs/dbraw/zinc/57/63/24/483576324.db2.gz GPYUYVOXGULTOI-NSHDSACASA-N -1 0 365.342 -0.109 20 0 FBADRM O=C(CN1CCOC[C@H]1C(=O)[O-])NC(=O)Nc1ccc2c(c1)OCO2 ZINC000590643423 483576344 /nfs/dbraw/zinc/57/63/44/483576344.db2.gz QLNCZMIKRCMCKH-JTQLQIEISA-N -1 0 351.315 -0.151 20 0 FBADRM O=C(CN1CCOC[C@@H]1C(=O)[O-])NC(=O)Nc1ccc2c(c1)OCO2 ZINC000590643424 483576882 /nfs/dbraw/zinc/57/68/82/483576882.db2.gz QLNCZMIKRCMCKH-SNVBAGLBSA-N -1 0 351.315 -0.151 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]c3cnn(CCO)c3)cnc21 ZINC000590695244 483578357 /nfs/dbraw/zinc/57/83/57/483578357.db2.gz ZTMDFWSIOJTFLU-UHFFFAOYSA-N -1 0 366.359 -0.976 20 0 FBADRM COC(=O)CNC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000590741524 483581572 /nfs/dbraw/zinc/58/15/72/483581572.db2.gz FPJPRULYRPEQCF-UHFFFAOYSA-N -1 0 370.305 -0.022 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000590899027 483596307 /nfs/dbraw/zinc/59/63/07/483596307.db2.gz IUGSPRMHXUYYGD-LLVKDONJSA-N -1 0 359.356 -0.044 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c(OC)c1 ZINC000590899028 483596487 /nfs/dbraw/zinc/59/64/87/483596487.db2.gz IUGSPRMHXUYYGD-NSHDSACASA-N -1 0 359.356 -0.044 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)nn1 ZINC000590961017 483598931 /nfs/dbraw/zinc/59/89/31/483598931.db2.gz MOBYINFWKIHDEH-UHFFFAOYSA-N -1 0 357.330 -0.038 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)c1 ZINC000590961229 483598642 /nfs/dbraw/zinc/59/86/42/483598642.db2.gz WVHATEVIQAUADD-UHFFFAOYSA-N -1 0 364.343 -0.488 20 0 FBADRM CCN1CCN(CC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)C(=O)C1=O ZINC000590961471 483599295 /nfs/dbraw/zinc/59/92/95/483599295.db2.gz XQHABWTWZVQLEE-UHFFFAOYSA-N -1 0 359.342 -0.341 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)CC1 ZINC000591188255 483610673 /nfs/dbraw/zinc/61/06/73/483610673.db2.gz KXLRGUIHKLUWPB-UHFFFAOYSA-N -1 0 367.387 -0.116 20 0 FBADRM COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000591243756 483610697 /nfs/dbraw/zinc/61/06/97/483610697.db2.gz HIJZUASDTRXMQC-GFCCVEGCSA-N -1 0 373.383 -0.115 20 0 FBADRM COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000591243757 483609887 /nfs/dbraw/zinc/60/98/87/483609887.db2.gz HIJZUASDTRXMQC-LBPRGKRZSA-N -1 0 373.383 -0.115 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000591350404 483612738 /nfs/dbraw/zinc/61/27/38/483612738.db2.gz UOOKHYBQCAFDCB-HTQZYQBOSA-N -1 0 363.310 -0.014 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000591350405 483613231 /nfs/dbraw/zinc/61/32/31/483613231.db2.gz UOOKHYBQCAFDCB-JGVFFNPUSA-N -1 0 363.310 -0.014 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000591350406 483612517 /nfs/dbraw/zinc/61/25/17/483612517.db2.gz UOOKHYBQCAFDCB-SFYZADRCSA-N -1 0 363.310 -0.014 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000591350407 483613203 /nfs/dbraw/zinc/61/32/03/483613203.db2.gz UOOKHYBQCAFDCB-YUMQZZPRSA-N -1 0 363.310 -0.014 20 0 FBADRM CCOC(=O)c1ccc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000591455952 483617187 /nfs/dbraw/zinc/61/71/87/483617187.db2.gz TYKUTNIOYNGBHE-CYBMUJFWSA-N -1 0 364.354 -0.209 20 0 FBADRM CCOC(=O)c1ccc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000591455953 483616986 /nfs/dbraw/zinc/61/69/86/483616986.db2.gz TYKUTNIOYNGBHE-ZDUSSCGKSA-N -1 0 364.354 -0.209 20 0 FBADRM COC(=O)c1ccc(CCNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000591455971 483617306 /nfs/dbraw/zinc/61/73/06/483617306.db2.gz WDRSIJZJOOPDCD-CYBMUJFWSA-N -1 0 364.354 -0.556 20 0 FBADRM COC(=O)c1ccc(CCNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000591455976 483617138 /nfs/dbraw/zinc/61/71/38/483617138.db2.gz WDRSIJZJOOPDCD-ZDUSSCGKSA-N -1 0 364.354 -0.556 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)[O-])c2)CCO1 ZINC000591457291 483617013 /nfs/dbraw/zinc/61/70/13/483617013.db2.gz AGWKFCPVDSTABB-GFCCVEGCSA-N -1 0 350.327 -0.599 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)[O-])c2)CCO1 ZINC000591457326 483617333 /nfs/dbraw/zinc/61/73/33/483617333.db2.gz AGWKFCPVDSTABB-LBPRGKRZSA-N -1 0 350.327 -0.599 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)[O-])c2)CCO1 ZINC000591457513 483617324 /nfs/dbraw/zinc/61/73/24/483617324.db2.gz MSSOTIJYRWRUDB-CYBMUJFWSA-N -1 0 364.354 -0.209 20 0 FBADRM COC(=O)C[C@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)[O-])c2)CCO1 ZINC000591457514 483618248 /nfs/dbraw/zinc/61/82/48/483618248.db2.gz MSSOTIJYRWRUDB-ZDUSSCGKSA-N -1 0 364.354 -0.209 20 0 FBADRM COC(=O)c1cccc(CCNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000591459217 483619005 /nfs/dbraw/zinc/61/90/05/483619005.db2.gz RLSGIMDVIWELOH-CYBMUJFWSA-N -1 0 364.354 -0.556 20 0 FBADRM COC(=O)c1cccc(CCNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000591459219 483617987 /nfs/dbraw/zinc/61/79/87/483617987.db2.gz RLSGIMDVIWELOH-ZDUSSCGKSA-N -1 0 364.354 -0.556 20 0 FBADRM COC(=O)Cc1ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])cc1F ZINC000591504881 483620122 /nfs/dbraw/zinc/62/01/22/483620122.db2.gz PQYQLAWUOLIXPS-UHFFFAOYSA-N -1 0 363.363 -0.001 20 0 FBADRM O=C(CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-])NC(=O)NC1CCCCC1 ZINC000591563401 483621389 /nfs/dbraw/zinc/62/13/89/483621389.db2.gz DLVQOFMAYVMOCI-LLVKDONJSA-N -1 0 361.420 -0.672 20 0 FBADRM O=C(CN1CCS(=O)(=O)C[C@H]1C(=O)[O-])NC(=O)NC1CCCCC1 ZINC000591563402 483621766 /nfs/dbraw/zinc/62/17/66/483621766.db2.gz DLVQOFMAYVMOCI-NSHDSACASA-N -1 0 361.420 -0.672 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CC(=O)NC(=O)Nc1ccccc1 ZINC000591563472 483621343 /nfs/dbraw/zinc/62/13/43/483621343.db2.gz PLRBLPAEXVCTAD-LLVKDONJSA-N -1 0 355.372 -0.482 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CC(=O)NC(=O)Nc1ccccc1 ZINC000591563473 483621468 /nfs/dbraw/zinc/62/14/68/483621468.db2.gz PLRBLPAEXVCTAD-NSHDSACASA-N -1 0 355.372 -0.482 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CCC(=O)NC(=O)Nc1ccccc1 ZINC000591563475 483621656 /nfs/dbraw/zinc/62/16/56/483621656.db2.gz PZZLIPZGIWKFOA-GFCCVEGCSA-N -1 0 369.399 -0.092 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CCC(=O)NC(=O)Nc1ccccc1 ZINC000591563476 483622250 /nfs/dbraw/zinc/62/22/50/483622250.db2.gz PZZLIPZGIWKFOA-LBPRGKRZSA-N -1 0 369.399 -0.092 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CC(=O)NC(=O)NCc1ccccc1 ZINC000591563526 483621545 /nfs/dbraw/zinc/62/15/45/483621545.db2.gz YTSUNKDHICZLCZ-GFCCVEGCSA-N -1 0 369.399 -0.804 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CC(=O)NC(=O)NCc1ccccc1 ZINC000591563527 483622001 /nfs/dbraw/zinc/62/20/01/483622001.db2.gz YTSUNKDHICZLCZ-LBPRGKRZSA-N -1 0 369.399 -0.804 20 0 FBADRM COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000591564066 483621945 /nfs/dbraw/zinc/62/19/45/483621945.db2.gz ANHUCFGVQZQZNA-GFCCVEGCSA-N -1 0 366.326 -0.268 20 0 FBADRM COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000591564070 483621782 /nfs/dbraw/zinc/62/17/82/483621782.db2.gz ANHUCFGVQZQZNA-LBPRGKRZSA-N -1 0 366.326 -0.268 20 0 FBADRM COC(=O)c1cc(F)ccc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000591564074 483622195 /nfs/dbraw/zinc/62/21/95/483622195.db2.gz AXDYXORLAOTAEQ-LLVKDONJSA-N -1 0 354.290 -0.137 20 0 FBADRM COC(=O)c1cc(F)ccc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000591564079 483622138 /nfs/dbraw/zinc/62/21/38/483622138.db2.gz AXDYXORLAOTAEQ-NSHDSACASA-N -1 0 354.290 -0.137 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000591564465 483621370 /nfs/dbraw/zinc/62/13/70/483621370.db2.gz TXEXGSZKNPDWEI-GFCCVEGCSA-N -1 0 366.326 -0.268 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c(OC)c1 ZINC000591564466 483621530 /nfs/dbraw/zinc/62/15/30/483621530.db2.gz TXEXGSZKNPDWEI-LBPRGKRZSA-N -1 0 366.326 -0.268 20 0 FBADRM COC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000591564539 483622056 /nfs/dbraw/zinc/62/20/56/483622056.db2.gz WMKIBVPGWAQWEK-LLVKDONJSA-N -1 0 354.290 -0.137 20 0 FBADRM COC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000591564541 483621996 /nfs/dbraw/zinc/62/19/96/483621996.db2.gz WMKIBVPGWAQWEK-NSHDSACASA-N -1 0 354.290 -0.137 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(F)c1 ZINC000591564556 483622037 /nfs/dbraw/zinc/62/20/37/483622037.db2.gz WXSIIABHMSYSMB-LLVKDONJSA-N -1 0 354.290 -0.137 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c(F)c1 ZINC000591564617 483621832 /nfs/dbraw/zinc/62/18/32/483621832.db2.gz WXSIIABHMSYSMB-NSHDSACASA-N -1 0 354.290 -0.137 20 0 FBADRM COC(=O)c1ccc(CN(C)C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000591567323 483622049 /nfs/dbraw/zinc/62/20/49/483622049.db2.gz IBFCKFALWUQMMS-CYBMUJFWSA-N -1 0 364.354 -0.256 20 0 FBADRM COC(=O)c1ccc(CN(C)C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000591567324 483621969 /nfs/dbraw/zinc/62/19/69/483621969.db2.gz IBFCKFALWUQMMS-ZDUSSCGKSA-N -1 0 364.354 -0.256 20 0 FBADRM COC(=O)c1cc(CN(C)C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)oc1C ZINC000591567828 483621324 /nfs/dbraw/zinc/62/13/24/483621324.db2.gz SUUWJXROHKKVGD-GFCCVEGCSA-N -1 0 368.342 -0.355 20 0 FBADRM COC(=O)c1cc(CN(C)C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)oc1C ZINC000591567829 483621538 /nfs/dbraw/zinc/62/15/38/483621538.db2.gz SUUWJXROHKKVGD-LBPRGKRZSA-N -1 0 368.342 -0.355 20 0 FBADRM CCOC(=O)CC[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000591568227 483619860 /nfs/dbraw/zinc/61/98/60/483619860.db2.gz KOIIDZUMZVCGAZ-CHWSQXEVSA-N -1 0 370.402 -0.120 20 0 FBADRM CCOC(=O)CC[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000591568228 483620802 /nfs/dbraw/zinc/62/08/02/483620802.db2.gz KOIIDZUMZVCGAZ-OLZOCXBDSA-N -1 0 370.402 -0.120 20 0 FBADRM CCOC(=O)CC[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000591568229 483620238 /nfs/dbraw/zinc/62/02/38/483620238.db2.gz KOIIDZUMZVCGAZ-QWHCGFSZSA-N -1 0 370.402 -0.120 20 0 FBADRM CCOC(=O)CC[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000591568230 483619805 /nfs/dbraw/zinc/61/98/05/483619805.db2.gz KOIIDZUMZVCGAZ-STQMWFEESA-N -1 0 370.402 -0.120 20 0 FBADRM CC(C)OC(=O)C[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000591568242 483619942 /nfs/dbraw/zinc/61/99/42/483619942.db2.gz NHXBNMCOTNCRKS-CHWSQXEVSA-N -1 0 370.402 -0.121 20 0 FBADRM CC(C)OC(=O)C[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000591568243 483619750 /nfs/dbraw/zinc/61/97/50/483619750.db2.gz NHXBNMCOTNCRKS-OLZOCXBDSA-N -1 0 370.402 -0.121 20 0 FBADRM CC(C)OC(=O)C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000591568244 483621987 /nfs/dbraw/zinc/62/19/87/483621987.db2.gz NHXBNMCOTNCRKS-QWHCGFSZSA-N -1 0 370.402 -0.121 20 0 FBADRM CC(C)OC(=O)C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000591568245 483622009 /nfs/dbraw/zinc/62/20/09/483622009.db2.gz NHXBNMCOTNCRKS-STQMWFEESA-N -1 0 370.402 -0.121 20 0 FBADRM COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000591568269 483622276 /nfs/dbraw/zinc/62/22/76/483622276.db2.gz UQBXVUCVMOMQOC-NEPJUHHUSA-N -1 0 370.402 -0.264 20 0 FBADRM COC(=O)C(C)(C)[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000591568273 483621947 /nfs/dbraw/zinc/62/19/47/483621947.db2.gz UQBXVUCVMOMQOC-NWDGAFQWSA-N -1 0 370.402 -0.264 20 0 FBADRM COC(=O)C(C)(C)[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000591568274 483621921 /nfs/dbraw/zinc/62/19/21/483621921.db2.gz UQBXVUCVMOMQOC-RYUDHWBXSA-N -1 0 370.402 -0.264 20 0 FBADRM COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000591568275 483621375 /nfs/dbraw/zinc/62/13/75/483621375.db2.gz UQBXVUCVMOMQOC-VXGBXAGGSA-N -1 0 370.402 -0.264 20 0 FBADRM CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000591568597 483622065 /nfs/dbraw/zinc/62/20/65/483622065.db2.gz HIAUOCISEPTYQX-PXAZEXFGSA-N -1 0 370.402 -0.264 20 0 FBADRM CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000591568598 483621807 /nfs/dbraw/zinc/62/18/07/483621807.db2.gz HIAUOCISEPTYQX-SJCJKPOMSA-N -1 0 370.402 -0.264 20 0 FBADRM CCOC(=O)[C@]1(C(C)C)CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000591568600 483621663 /nfs/dbraw/zinc/62/16/63/483621663.db2.gz HIAUOCISEPTYQX-SJKOYZFVSA-N -1 0 370.402 -0.264 20 0 FBADRM CCOC(=O)[C@]1(C(C)C)CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000591568602 483621741 /nfs/dbraw/zinc/62/17/41/483621741.db2.gz HIAUOCISEPTYQX-YVEFUNNKSA-N -1 0 370.402 -0.264 20 0 FBADRM CCOC(=O)CCC1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000591569824 483624668 /nfs/dbraw/zinc/62/46/68/483624668.db2.gz ROFLYLJCWKWOQI-CYBMUJFWSA-N -1 0 370.402 -0.120 20 0 FBADRM CCOC(=O)CCC1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000591569825 483624880 /nfs/dbraw/zinc/62/48/80/483624880.db2.gz ROFLYLJCWKWOQI-ZDUSSCGKSA-N -1 0 370.402 -0.120 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)nc2)cc1C(N)=O ZINC000591679328 483630889 /nfs/dbraw/zinc/63/08/89/483630889.db2.gz FSXSNOPKYMYNNW-UHFFFAOYSA-N -1 0 358.401 -0.277 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)nc2)cn1C ZINC000591679462 483630572 /nfs/dbraw/zinc/63/05/72/483630572.db2.gz PXDBYZXKTFKVLI-UHFFFAOYSA-N -1 0 372.428 -0.016 20 0 FBADRM CCOC(=O)[C@@H]([N-]S(=O)(=O)[C@@H]1COC[C@@H]1OC)C1CCOCC1 ZINC000591696017 483638186 /nfs/dbraw/zinc/63/81/86/483638186.db2.gz CGECQVWHUDLBNV-XQQFMLRXSA-N -1 0 351.421 -0.322 20 0 FBADRM CCOC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1COC[C@@H]1OC)C1CCOCC1 ZINC000591696018 483638001 /nfs/dbraw/zinc/63/80/01/483638001.db2.gz CGECQVWHUDLBNV-YNEHKIRRSA-N -1 0 351.421 -0.322 20 0 FBADRM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)[C@@H]1COC[C@@H]1OC ZINC000591702855 483638804 /nfs/dbraw/zinc/63/88/04/483638804.db2.gz OTNSXTRASXNQLX-HZSPNIEDSA-N -1 0 358.416 -0.111 20 0 FBADRM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)[C@@H]1COC[C@@H]1OC ZINC000591702859 483638832 /nfs/dbraw/zinc/63/88/32/483638832.db2.gz OTNSXTRASXNQLX-MELADBBJSA-N -1 0 358.416 -0.111 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C(=O)OC)nc2)C1 ZINC000591744535 483640276 /nfs/dbraw/zinc/64/02/76/483640276.db2.gz HMQHVWGMHWGWIQ-AWEZNQCLSA-N -1 0 358.372 -0.020 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C(=O)OC)nc2)C1 ZINC000591744536 483640291 /nfs/dbraw/zinc/64/02/91/483640291.db2.gz HMQHVWGMHWGWIQ-CQSZACIVSA-N -1 0 358.372 -0.020 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnn(CC(=O)OC)c2)C1 ZINC000591744550 483640485 /nfs/dbraw/zinc/64/04/85/483640485.db2.gz IXSCNTOWLAJBIF-CYBMUJFWSA-N -1 0 361.376 -0.832 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnn(CC(=O)OC)c2)C1 ZINC000591744551 483641025 /nfs/dbraw/zinc/64/10/25/483641025.db2.gz IXSCNTOWLAJBIF-ZDUSSCGKSA-N -1 0 361.376 -0.832 20 0 FBADRM CSc1n[nH]c([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)n1 ZINC000591768999 483640928 /nfs/dbraw/zinc/64/09/28/483640928.db2.gz ACLLRTSJFBULDY-UHFFFAOYSA-N -1 0 354.373 -0.143 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000591769915 483640580 /nfs/dbraw/zinc/64/05/80/483640580.db2.gz ULNRVUHSIBUUJH-FNODVLLQSA-N -1 0 351.384 -0.435 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000591769916 483640515 /nfs/dbraw/zinc/64/05/15/483640515.db2.gz ULNRVUHSIBUUJH-MCFWBGNESA-N -1 0 351.384 -0.435 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000591769917 483640568 /nfs/dbraw/zinc/64/05/68/483640568.db2.gz ULNRVUHSIBUUJH-OIRASMEMSA-N -1 0 351.384 -0.435 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000591769918 483640136 /nfs/dbraw/zinc/64/01/36/483640136.db2.gz ULNRVUHSIBUUJH-YYUOZPCZSA-N -1 0 351.384 -0.435 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NC2CC(NS(C)(=O)=O)C2)c1 ZINC000591779882 483640745 /nfs/dbraw/zinc/64/07/45/483640745.db2.gz WAQNWIQMMJXATN-AUOQGKCVSA-N -1 0 360.457 -0.001 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NC2CC(NS(C)(=O)=O)C2)c1 ZINC000591779888 483640527 /nfs/dbraw/zinc/64/05/27/483640527.db2.gz WAQNWIQMMJXATN-RIWMUXIDSA-N -1 0 360.457 -0.001 20 0 FBADRM COC(=O)C[C@@H]([N-]S(=O)(=O)C[C@H](OC)C1CCOCC1)C(=O)OC ZINC000592012158 483648566 /nfs/dbraw/zinc/64/85/66/483648566.db2.gz KOPHMSJQEUFYDU-NEPJUHHUSA-N -1 0 367.420 -0.548 20 0 FBADRM COC(=O)C[C@H]([N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1)C(=O)OC ZINC000592012159 483648707 /nfs/dbraw/zinc/64/87/07/483648707.db2.gz KOPHMSJQEUFYDU-NWDGAFQWSA-N -1 0 367.420 -0.548 20 0 FBADRM COC(=O)C[C@H]([N-]S(=O)(=O)C[C@H](OC)C1CCOCC1)C(=O)OC ZINC000592012160 483648320 /nfs/dbraw/zinc/64/83/20/483648320.db2.gz KOPHMSJQEUFYDU-RYUDHWBXSA-N -1 0 367.420 -0.548 20 0 FBADRM COC(=O)C[C@@H]([N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1)C(=O)OC ZINC000592012161 483648736 /nfs/dbraw/zinc/64/87/36/483648736.db2.gz KOPHMSJQEUFYDU-VXGBXAGGSA-N -1 0 367.420 -0.548 20 0 FBADRM COC[C@@](C)([N-]S(=O)(=O)C[C@H](OC)C1CCOCC1)C(=O)OC ZINC000592035745 483649522 /nfs/dbraw/zinc/64/95/22/483649522.db2.gz DGDHKQBCCZRWQO-GXTWGEPZSA-N -1 0 353.437 -0.075 20 0 FBADRM COC[C@](C)([N-]S(=O)(=O)C[C@H](OC)C1CCOCC1)C(=O)OC ZINC000592035746 483649960 /nfs/dbraw/zinc/64/99/60/483649960.db2.gz DGDHKQBCCZRWQO-JSGCOSHPSA-N -1 0 353.437 -0.075 20 0 FBADRM COC[C@](C)([N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1)C(=O)OC ZINC000592035747 483649663 /nfs/dbraw/zinc/64/96/63/483649663.db2.gz DGDHKQBCCZRWQO-OCCSQVGLSA-N -1 0 353.437 -0.075 20 0 FBADRM COC[C@@](C)([N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1)C(=O)OC ZINC000592035748 483650177 /nfs/dbraw/zinc/65/01/77/483650177.db2.gz DGDHKQBCCZRWQO-TZMCWYRMSA-N -1 0 353.437 -0.075 20 0 FBADRM COC(=O)[C@@]1([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)CCOC1 ZINC000592035935 483650036 /nfs/dbraw/zinc/65/00/36/483650036.db2.gz JLPBAYFKPNJBBR-GXTWGEPZSA-N -1 0 351.421 -0.321 20 0 FBADRM COC(=O)[C@]1([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)CCOC1 ZINC000592035936 483650009 /nfs/dbraw/zinc/65/00/09/483650009.db2.gz JLPBAYFKPNJBBR-JSGCOSHPSA-N -1 0 351.421 -0.321 20 0 FBADRM COC(=O)[C@]1([N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)CCOC1 ZINC000592035937 483649655 /nfs/dbraw/zinc/64/96/55/483649655.db2.gz JLPBAYFKPNJBBR-OCCSQVGLSA-N -1 0 351.421 -0.321 20 0 FBADRM COC(=O)[C@@]1([N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)CCOC1 ZINC000592035938 483649808 /nfs/dbraw/zinc/64/98/08/483649808.db2.gz JLPBAYFKPNJBBR-TZMCWYRMSA-N -1 0 351.421 -0.321 20 0 FBADRM CC[C@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)OC ZINC000592077444 483651486 /nfs/dbraw/zinc/65/14/86/483651486.db2.gz JGRPAHJBZNDIBS-SSDOTTSWSA-N -1 0 356.360 -0.087 20 0 FBADRM CC[C@@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)OC ZINC000592077445 483650959 /nfs/dbraw/zinc/65/09/59/483650959.db2.gz JGRPAHJBZNDIBS-ZETCQYMHSA-N -1 0 356.360 -0.087 20 0 FBADRM COC(=O)[C@H]([N-]S(=O)(=O)c1cnn2c1OCCC2)c1ccnn1C ZINC000592094217 483655150 /nfs/dbraw/zinc/65/51/50/483655150.db2.gz CHDMMCVMBJTHDM-LLVKDONJSA-N -1 0 355.376 -0.408 20 0 FBADRM COC(=O)[C@@H]([N-]S(=O)(=O)c1cnn2c1OCCC2)c1ccnn1C ZINC000592094225 483655133 /nfs/dbraw/zinc/65/51/33/483655133.db2.gz CHDMMCVMBJTHDM-NSHDSACASA-N -1 0 355.376 -0.408 20 0 FBADRM Cn1nccc1[C@@H]([N-]S(=O)(=O)c1cnnn1C)C(=O)OC(C)(C)C ZINC000592106019 483653661 /nfs/dbraw/zinc/65/36/61/483653661.db2.gz NFLWUPUMRLJUIK-LLVKDONJSA-N -1 0 356.408 -0.090 20 0 FBADRM Cn1nccc1[C@H]([N-]S(=O)(=O)c1cnnn1C)C(=O)OC(C)(C)C ZINC000592106020 483653845 /nfs/dbraw/zinc/65/38/45/483653845.db2.gz NFLWUPUMRLJUIK-NSHDSACASA-N -1 0 356.408 -0.090 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC000592143563 483657470 /nfs/dbraw/zinc/65/74/70/483657470.db2.gz IERKDKMOIATCRJ-SECBINFHSA-N -1 0 360.479 -0.852 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000592143564 483657258 /nfs/dbraw/zinc/65/72/58/483657258.db2.gz IERKDKMOIATCRJ-VIFPVBQESA-N -1 0 360.479 -0.852 20 0 FBADRM COC(=O)[C@H](O)C1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1 ZINC000592210886 483658152 /nfs/dbraw/zinc/65/81/52/483658152.db2.gz IXUPFXZSRRQYDD-GFCCVEGCSA-N -1 0 358.391 -0.177 20 0 FBADRM COC(=O)[C@@H](O)C1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1 ZINC000592210887 483658911 /nfs/dbraw/zinc/65/89/11/483658911.db2.gz IXUPFXZSRRQYDD-LBPRGKRZSA-N -1 0 358.391 -0.177 20 0 FBADRM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000592211404 483658179 /nfs/dbraw/zinc/65/81/79/483658179.db2.gz VLSDKCKKNKVRLE-GHMZBOCLSA-N -1 0 373.406 -0.377 20 0 FBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000592211405 483658278 /nfs/dbraw/zinc/65/82/78/483658278.db2.gz VLSDKCKKNKVRLE-MNOVXSKESA-N -1 0 373.406 -0.377 20 0 FBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000592211406 483657912 /nfs/dbraw/zinc/65/79/12/483657912.db2.gz VLSDKCKKNKVRLE-QWRGUYRKSA-N -1 0 373.406 -0.377 20 0 FBADRM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000592211407 483657922 /nfs/dbraw/zinc/65/79/22/483657922.db2.gz VLSDKCKKNKVRLE-WDEREUQCSA-N -1 0 373.406 -0.377 20 0 FBADRM COC(=O)c1cn(CCNC(=O)NCC2(C(=O)[O-])CCOCC2)nn1 ZINC000592211768 483659494 /nfs/dbraw/zinc/65/94/94/483659494.db2.gz GQHSJAKICYDSNT-UHFFFAOYSA-N -1 0 355.351 -0.755 20 0 FBADRM COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)C1 ZINC000592324917 483663647 /nfs/dbraw/zinc/66/36/47/483663647.db2.gz BGSHKWXIQABTPD-BDAKNGLRSA-N -1 0 370.431 -0.422 20 0 FBADRM COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)C1 ZINC000592324918 483663461 /nfs/dbraw/zinc/66/34/61/483663461.db2.gz BGSHKWXIQABTPD-DTWKUNHWSA-N -1 0 370.431 -0.422 20 0 FBADRM COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)C1 ZINC000592324919 483663748 /nfs/dbraw/zinc/66/37/48/483663748.db2.gz BGSHKWXIQABTPD-IUCAKERBSA-N -1 0 370.431 -0.422 20 0 FBADRM COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)C1 ZINC000592324920 483663479 /nfs/dbraw/zinc/66/34/79/483663479.db2.gz BGSHKWXIQABTPD-RKDXNWHRSA-N -1 0 370.431 -0.422 20 0 FBADRM NS(=O)(=O)c1ccc(N2CCN(C(=O)CSCC(=O)[O-])CC2)cc1 ZINC000592344856 483664996 /nfs/dbraw/zinc/66/49/96/483664996.db2.gz KSMYIMRXUNQDIE-UHFFFAOYSA-N -1 0 373.456 -0.200 20 0 FBADRM COC(=O)c1cnc([N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)cn1 ZINC000592383367 484294734 /nfs/dbraw/zinc/29/47/34/484294734.db2.gz QGXNWGBLBIDIAP-GFCCVEGCSA-N -1 0 359.404 0.447 20 0 FBADRM COC(=O)c1cnc([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)cn1 ZINC000592383368 484295325 /nfs/dbraw/zinc/29/53/25/484295325.db2.gz QGXNWGBLBIDIAP-LBPRGKRZSA-N -1 0 359.404 0.447 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ncn(CC(=O)OC(C)(C)C)n1 ZINC000592383907 483664784 /nfs/dbraw/zinc/66/47/84/483664784.db2.gz RSDHLDIJLRQNDF-SECBINFHSA-N -1 0 361.424 -0.162 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ncn(CC(=O)OC(C)(C)C)n1 ZINC000592383908 483665108 /nfs/dbraw/zinc/66/51/08/483665108.db2.gz RSDHLDIJLRQNDF-VIFPVBQESA-N -1 0 361.424 -0.162 20 0 FBADRM CC[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1)C(=O)[O-] ZINC000592423651 483666462 /nfs/dbraw/zinc/66/64/62/483666462.db2.gz CBAWGHQSPJPLBY-NSHDSACASA-N -1 0 365.342 -0.493 20 0 FBADRM CCOC(=O)Cn1cccc(NC(=O)C(=O)N[C@@H](CC)C(=O)[O-])c1=O ZINC000592423670 483666112 /nfs/dbraw/zinc/66/61/12/483666112.db2.gz CZSWXBDXNOXHLM-VIFPVBQESA-N -1 0 353.331 -0.671 20 0 FBADRM COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000592424372 483666075 /nfs/dbraw/zinc/66/60/75/483666075.db2.gz LSVALACLEIISCY-LLVKDONJSA-N -1 0 363.330 -0.276 20 0 FBADRM COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000592424386 483666101 /nfs/dbraw/zinc/66/61/01/483666101.db2.gz LSVALACLEIISCY-NSHDSACASA-N -1 0 363.330 -0.276 20 0 FBADRM CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000592424432 483666160 /nfs/dbraw/zinc/66/61/60/483666160.db2.gz MHRUIZJDFROTQW-DTWKUNHWSA-N -1 0 352.347 -0.095 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000592425031 484411339 /nfs/dbraw/zinc/41/13/39/484411339.db2.gz RBRHJBPOABRJQW-DTWKUNHWSA-N -1 0 352.347 -0.095 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000592426292 484406470 /nfs/dbraw/zinc/40/64/70/484406470.db2.gz JBFXLKNPSMWIJH-UHFFFAOYSA-N -1 0 366.374 0.249 20 0 FBADRM COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000592426837 483666681 /nfs/dbraw/zinc/66/66/81/483666681.db2.gz UNCFGDLOSDWDLX-UHFFFAOYSA-N -1 0 352.347 -0.142 20 0 FBADRM COC(=O)[C@H](O)C1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC1 ZINC000592427773 483668559 /nfs/dbraw/zinc/66/85/59/483668559.db2.gz AMCQHJGESZATDF-GFCCVEGCSA-N -1 0 370.402 -0.528 20 0 FBADRM COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC1 ZINC000592427774 483668369 /nfs/dbraw/zinc/66/83/69/483668369.db2.gz AMCQHJGESZATDF-LBPRGKRZSA-N -1 0 370.402 -0.528 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CCO1 ZINC000592427841 483668652 /nfs/dbraw/zinc/66/86/52/483668652.db2.gz NODFHELWAWRJGR-LLVKDONJSA-N -1 0 356.375 -0.510 20 0 FBADRM COC(=O)C[C@H]1CN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CCO1 ZINC000592427842 483668612 /nfs/dbraw/zinc/66/86/12/483668612.db2.gz NODFHELWAWRJGR-NSHDSACASA-N -1 0 356.375 -0.510 20 0 FBADRM CCOC(=O)C1(COC)CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC000592439914 483668019 /nfs/dbraw/zinc/66/80/19/483668019.db2.gz ADNIZLDBVAKKCL-UHFFFAOYSA-N -1 0 358.391 -0.214 20 0 FBADRM CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000592439987 483667975 /nfs/dbraw/zinc/66/79/75/483667975.db2.gz DOIFPPRFJNFYJY-LOWDOPEQSA-N -1 0 370.402 -0.075 20 0 FBADRM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000592439988 483667915 /nfs/dbraw/zinc/66/79/15/483667915.db2.gz DOIFPPRFJNFYJY-QNWHQSFQSA-N -1 0 370.402 -0.075 20 0 FBADRM CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000592439989 483667853 /nfs/dbraw/zinc/66/78/53/483667853.db2.gz DOIFPPRFJNFYJY-RNJOBUHISA-N -1 0 370.402 -0.075 20 0 FBADRM CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000592439990 483667787 /nfs/dbraw/zinc/66/77/87/483667787.db2.gz DOIFPPRFJNFYJY-UMSGYPCISA-N -1 0 370.402 -0.075 20 0 FBADRM COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000592440216 483668176 /nfs/dbraw/zinc/66/81/76/483668176.db2.gz HIZLBNBMKXIWFV-NWDGAFQWSA-N -1 0 369.418 -0.548 20 0 FBADRM COC(=O)C1CCC(NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)CC1 ZINC000592440236 483667899 /nfs/dbraw/zinc/66/78/99/483667899.db2.gz IDNMCFBOZCQMHV-UHFFFAOYSA-N -1 0 370.402 -0.168 20 0 FBADRM COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000592440267 483668081 /nfs/dbraw/zinc/66/80/81/483668081.db2.gz JRTJUZAMILODKP-GARJFASQSA-N -1 0 358.416 -0.280 20 0 FBADRM COC(=O)[C@H]1CSCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000592440268 483667884 /nfs/dbraw/zinc/66/78/84/483667884.db2.gz JRTJUZAMILODKP-HBNTYKKESA-N -1 0 358.416 -0.280 20 0 FBADRM CC(C)OC(=O)CCCNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000592440393 483667826 /nfs/dbraw/zinc/66/78/26/483667826.db2.gz LKDCMSMQIPTAEI-UHFFFAOYSA-N -1 0 358.391 -0.168 20 0 FBADRM CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000592440419 483668015 /nfs/dbraw/zinc/66/80/15/483668015.db2.gz MVGLYIHKRQPZFX-LLVKDONJSA-N -1 0 358.391 -0.312 20 0 FBADRM CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000592440420 483668021 /nfs/dbraw/zinc/66/80/21/483668021.db2.gz MVGLYIHKRQPZFX-NSHDSACASA-N -1 0 358.391 -0.312 20 0 FBADRM CCOC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC000592440442 483667947 /nfs/dbraw/zinc/66/79/47/483667947.db2.gz ONLBKHPLTDDERO-NEPJUHHUSA-N -1 0 370.402 -0.168 20 0 FBADRM COC(=O)[C@H]1CC[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC000592440451 483668025 /nfs/dbraw/zinc/66/80/25/483668025.db2.gz PBMXROROOZUMFR-WDEREUQCSA-N -1 0 356.375 -0.558 20 0 FBADRM COC(=O)[C@H](O)C1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000592440464 483668071 /nfs/dbraw/zinc/66/80/71/483668071.db2.gz PKKWCPOYLJXVRX-QJPTWQEYSA-N -1 0 356.375 -0.872 20 0 FBADRM COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000592440465 483667996 /nfs/dbraw/zinc/66/79/96/483667996.db2.gz PKKWCPOYLJXVRX-TUAOUCFPSA-N -1 0 356.375 -0.872 20 0 FBADRM CCOC(=O)C[C@@H](C)CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000592440714 483667920 /nfs/dbraw/zinc/66/79/20/483667920.db2.gz SKEMYMNIGJKJSI-LLVKDONJSA-N -1 0 358.391 -0.311 20 0 FBADRM CCOC(=O)C[C@H](C)CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000592440715 483668074 /nfs/dbraw/zinc/66/80/74/483668074.db2.gz SKEMYMNIGJKJSI-NSHDSACASA-N -1 0 358.391 -0.311 20 0 FBADRM CCOC(=O)CC[C@@H](C)NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000592440941 483667999 /nfs/dbraw/zinc/66/79/99/483667999.db2.gz WLXXICOSJHSXLL-LLVKDONJSA-N -1 0 358.391 -0.168 20 0 FBADRM CCOC(=O)CC[C@H](C)NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000592440942 483667881 /nfs/dbraw/zinc/66/78/81/483667881.db2.gz WLXXICOSJHSXLL-NSHDSACASA-N -1 0 358.391 -0.168 20 0 FBADRM COC(=O)CCN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)[C@H](C)C1 ZINC000592441063 483667793 /nfs/dbraw/zinc/66/77/93/483667793.db2.gz ZLRSRSJOPVWDCN-FRRDWIJNSA-N -1 0 369.418 -0.548 20 0 FBADRM COC(=O)CCN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)[C@@H](C)C1 ZINC000592441064 483667749 /nfs/dbraw/zinc/66/77/49/483667749.db2.gz ZLRSRSJOPVWDCN-RWMBFGLXSA-N -1 0 369.418 -0.548 20 0 FBADRM CC[C@@H](CNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)OC ZINC000592445744 483668648 /nfs/dbraw/zinc/66/86/48/483668648.db2.gz QWBIMBDPSSPMSX-JTQLQIEISA-N -1 0 372.399 -0.022 20 0 FBADRM CC[C@H](CNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)OC ZINC000592445746 483668365 /nfs/dbraw/zinc/66/83/65/483668365.db2.gz QWBIMBDPSSPMSX-SNVBAGLBSA-N -1 0 372.399 -0.022 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)cn1 ZINC000592446966 483668490 /nfs/dbraw/zinc/66/84/90/483668490.db2.gz CLBXBDBQIHTKFB-RKDXNWHRSA-N -1 0 367.330 -0.358 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000592448422 483668536 /nfs/dbraw/zinc/66/85/36/483668536.db2.gz CNNMCPPSKVXEBN-NXEZZACHSA-N -1 0 360.392 -0.248 20 0 FBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000592448427 483668502 /nfs/dbraw/zinc/66/85/02/483668502.db2.gz CNNMCPPSKVXEBN-UWVGGRQHSA-N -1 0 360.392 -0.248 20 0 FBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000592448428 483668549 /nfs/dbraw/zinc/66/85/49/483668549.db2.gz CNNMCPPSKVXEBN-VHSXEESVSA-N -1 0 360.392 -0.248 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000592448429 483668709 /nfs/dbraw/zinc/66/87/09/483668709.db2.gz CNNMCPPSKVXEBN-ZJUUUORDSA-N -1 0 360.392 -0.248 20 0 FBADRM CCOC(=O)CCS(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cncn2C)C1 ZINC000592448438 483668495 /nfs/dbraw/zinc/66/84/95/483668495.db2.gz CUAHFQFCDWGGRW-QWRGUYRKSA-N -1 0 359.404 -0.197 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NCCSC[C@@H](C)C(=O)[O-] ZINC000592448891 483668509 /nfs/dbraw/zinc/66/85/09/483668509.db2.gz FTABDZBJVNTRJZ-SECBINFHSA-N -1 0 362.495 -0.701 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NCCSC[C@H](C)C(=O)[O-] ZINC000592448892 483668506 /nfs/dbraw/zinc/66/85/06/483668506.db2.gz FTABDZBJVNTRJZ-VIFPVBQESA-N -1 0 362.495 -0.701 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cncn2C)C1 ZINC000592450580 483668666 /nfs/dbraw/zinc/66/86/66/483668666.db2.gz NGKJQESLTYIHLP-QWRGUYRKSA-N -1 0 374.419 -0.740 20 0 FBADRM CCOC(=O)CCS(=O)(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000592450655 483668399 /nfs/dbraw/zinc/66/83/99/483668399.db2.gz OLCKUPMNUDWUAO-JTQLQIEISA-N -1 0 360.392 -0.104 20 0 FBADRM CCOC(=O)CCS(=O)(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000592450662 483668751 /nfs/dbraw/zinc/66/87/51/483668751.db2.gz OLCKUPMNUDWUAO-SNVBAGLBSA-N -1 0 360.392 -0.104 20 0 FBADRM COC(=O)[C@@H](C)CS(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cncn2C)C1 ZINC000592450677 483668391 /nfs/dbraw/zinc/66/83/91/483668391.db2.gz OMPCZXAITLZFPO-DCAQKATOSA-N -1 0 359.404 -0.341 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cncn2C)C1 ZINC000592450680 483668360 /nfs/dbraw/zinc/66/83/60/483668360.db2.gz OMPCZXAITLZFPO-VWYCJHECSA-N -1 0 359.404 -0.341 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)NCCSC[C@@H](C)C(=O)[O-])cn1 ZINC000592450797 483668505 /nfs/dbraw/zinc/66/85/05/483668505.db2.gz PPPANIYMVPQJAG-SECBINFHSA-N -1 0 365.433 -0.212 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)NCCSC[C@H](C)C(=O)[O-])cn1 ZINC000592451023 483668363 /nfs/dbraw/zinc/66/83/63/483668363.db2.gz PPPANIYMVPQJAG-VIFPVBQESA-N -1 0 365.433 -0.212 20 0 FBADRM COC(=O)CCCS(=O)(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000592451085 483668471 /nfs/dbraw/zinc/66/84/71/483668471.db2.gz RGTSEZBSNZIFEO-JTQLQIEISA-N -1 0 360.392 -0.104 20 0 FBADRM COC(=O)CCCS(=O)(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000592451086 483668512 /nfs/dbraw/zinc/66/85/12/483668512.db2.gz RGTSEZBSNZIFEO-SNVBAGLBSA-N -1 0 360.392 -0.104 20 0 FBADRM COC(=O)CCCS(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cncn2C)C1 ZINC000592451484 483668607 /nfs/dbraw/zinc/66/86/07/483668607.db2.gz UHUCQBJUYMVNCK-QWRGUYRKSA-N -1 0 359.404 -0.197 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000592455274 483668618 /nfs/dbraw/zinc/66/86/18/483668618.db2.gz MUGDEICNUPMAFW-UHFFFAOYSA-N -1 0 352.409 -0.318 20 0 FBADRM O=c1[nH]c(N2CCN(S(=O)(=O)c3cccnc3)CC2)nc2n[nH]cc21 ZINC000592455748 483668636 /nfs/dbraw/zinc/66/86/36/483668636.db2.gz FXBFERRMTSUNER-UHFFFAOYSA-N -1 0 361.387 -0.036 20 0 FBADRM Cc1cc(NC(=O)CSCC(=O)Nc2cnn(CC(=O)[O-])c2)no1 ZINC000592467435 484309833 /nfs/dbraw/zinc/30/98/33/484309833.db2.gz QCWXKEXLZLHENB-UHFFFAOYSA-N -1 0 353.360 0.575 20 0 FBADRM Cc1cc(NC(=O)CSCC(=O)N[C@@H](C(=O)[O-])c2ccnn2C)no1 ZINC000592468724 484308484 /nfs/dbraw/zinc/30/84/84/484308484.db2.gz FAZDFAUDJSZMCF-CYBMUJFWSA-N -1 0 367.387 0.330 20 0 FBADRM Cc1cc(NC(=O)CSCC(=O)N[C@H](C(=O)[O-])c2ccnn2C)no1 ZINC000592468737 484308364 /nfs/dbraw/zinc/30/83/64/484308364.db2.gz FAZDFAUDJSZMCF-ZDUSSCGKSA-N -1 0 367.387 0.330 20 0 FBADRM Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ncn(CC(=O)[O-])n2)no1 ZINC000592469433 484341069 /nfs/dbraw/zinc/34/10/69/484341069.db2.gz PGWOCRPMRDTQFZ-MRVPVSSYSA-N -1 0 368.375 0.358 20 0 FBADRM Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ncn(CC(=O)[O-])n2)no1 ZINC000592469434 484349411 /nfs/dbraw/zinc/34/94/11/484349411.db2.gz PGWOCRPMRDTQFZ-QMMMGPOBSA-N -1 0 368.375 0.358 20 0 FBADRM COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)C1 ZINC000592921897 483675849 /nfs/dbraw/zinc/67/58/49/483675849.db2.gz ZEAUAPQTQUIUNA-BDAKNGLRSA-N -1 0 362.342 -0.260 20 0 FBADRM COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)C1 ZINC000592921918 483676017 /nfs/dbraw/zinc/67/60/17/483676017.db2.gz ZEAUAPQTQUIUNA-DTWKUNHWSA-N -1 0 362.342 -0.260 20 0 FBADRM COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)C1 ZINC000592921921 483675966 /nfs/dbraw/zinc/67/59/66/483675966.db2.gz ZEAUAPQTQUIUNA-IUCAKERBSA-N -1 0 362.342 -0.260 20 0 FBADRM COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)C1 ZINC000592921923 483676079 /nfs/dbraw/zinc/67/60/79/483676079.db2.gz ZEAUAPQTQUIUNA-RKDXNWHRSA-N -1 0 362.342 -0.260 20 0 FBADRM CCOC(=O)Cc1csc(NC(=O)CN2CCOC[C@H]2C(=O)[O-])n1 ZINC000592988827 483678143 /nfs/dbraw/zinc/67/81/43/483678143.db2.gz QESNCOFJBHOWMP-JTQLQIEISA-N -1 0 357.388 -0.027 20 0 FBADRM CCOC(=O)Cc1csc(NC(=O)CN2CCOC[C@@H]2C(=O)[O-])n1 ZINC000592988829 483678069 /nfs/dbraw/zinc/67/80/69/483678069.db2.gz QESNCOFJBHOWMP-SNVBAGLBSA-N -1 0 357.388 -0.027 20 0 FBADRM COC(=O)c1ccc(NC(=O)CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1 ZINC000592989937 483678735 /nfs/dbraw/zinc/67/87/35/483678735.db2.gz JBCJCUWDUATXLG-GFCCVEGCSA-N -1 0 370.383 -0.405 20 0 FBADRM COC(=O)c1ccc(NC(=O)CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1 ZINC000592989938 483678831 /nfs/dbraw/zinc/67/88/31/483678831.db2.gz JBCJCUWDUATXLG-LBPRGKRZSA-N -1 0 370.383 -0.405 20 0 FBADRM COC(=O)c1cccc(NC(=O)CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC000592990099 483678562 /nfs/dbraw/zinc/67/85/62/483678562.db2.gz NILAVQAOAJMSNV-GFCCVEGCSA-N -1 0 370.383 -0.405 20 0 FBADRM COC(=O)c1cccc(NC(=O)CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC000592990100 483678438 /nfs/dbraw/zinc/67/84/38/483678438.db2.gz NILAVQAOAJMSNV-LBPRGKRZSA-N -1 0 370.383 -0.405 20 0 FBADRM COC(=O)c1c(C)[nH]c(C(=O)CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1C ZINC000592990160 483678661 /nfs/dbraw/zinc/67/86/61/483678661.db2.gz PXGYTVBUIRURJU-JTQLQIEISA-N -1 0 372.399 -0.216 20 0 FBADRM COC(=O)c1c(C)[nH]c(C(=O)CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1C ZINC000592990161 483678415 /nfs/dbraw/zinc/67/84/15/483678415.db2.gz PXGYTVBUIRURJU-SNVBAGLBSA-N -1 0 372.399 -0.216 20 0 FBADRM COC(=O)c1ccccc1NC(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000592990427 483678868 /nfs/dbraw/zinc/67/88/68/483678868.db2.gz ZJUGCAPSQABAAJ-GFCCVEGCSA-N -1 0 370.383 -0.405 20 0 FBADRM COC(=O)c1ccccc1NC(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000592990428 483678869 /nfs/dbraw/zinc/67/88/69/483678869.db2.gz ZJUGCAPSQABAAJ-LBPRGKRZSA-N -1 0 370.383 -0.405 20 0 FBADRM COC(=O)c1sccc1NC(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000592990912 483678496 /nfs/dbraw/zinc/67/84/96/483678496.db2.gz RIMWVELUQVHFTG-UHFFFAOYSA-N -1 0 355.372 -0.298 20 0 FBADRM COC(=O)c1c(C)[nH]c(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1C ZINC000592991381 483678398 /nfs/dbraw/zinc/67/83/98/483678398.db2.gz DONYRYXEUCUTJY-SECBINFHSA-N -1 0 358.372 -0.258 20 0 FBADRM COC(=O)c1c(C)[nH]c(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1C ZINC000592991382 483678798 /nfs/dbraw/zinc/67/87/98/483678798.db2.gz DONYRYXEUCUTJY-VIFPVBQESA-N -1 0 358.372 -0.258 20 0 FBADRM COC(=O)c1cccc(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC000592991702 483678357 /nfs/dbraw/zinc/67/83/57/483678357.db2.gz IUVCWUATQBYQAM-GFCCVEGCSA-N -1 0 355.368 -0.274 20 0 FBADRM COC(=O)c1cccc(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC000592991704 483678477 /nfs/dbraw/zinc/67/84/77/483678477.db2.gz IUVCWUATQBYQAM-LBPRGKRZSA-N -1 0 355.368 -0.274 20 0 FBADRM CCOC(=O)c1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])nc1C ZINC000592991959 483678865 /nfs/dbraw/zinc/67/88/65/483678865.db2.gz RWTBPDYFBNRSKC-GFCCVEGCSA-N -1 0 370.383 -0.109 20 0 FBADRM CCOC(=O)c1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])nc1C ZINC000592991960 483678838 /nfs/dbraw/zinc/67/88/38/483678838.db2.gz RWTBPDYFBNRSKC-LBPRGKRZSA-N -1 0 370.383 -0.109 20 0 FBADRM CCc1[nH]c(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(C)c1C(=O)OC ZINC000592991987 483678801 /nfs/dbraw/zinc/67/88/01/483678801.db2.gz UCAVWILSOHVARV-JTQLQIEISA-N -1 0 372.399 -0.004 20 0 FBADRM CCc1[nH]c(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(C)c1C(=O)OC ZINC000592991988 483678455 /nfs/dbraw/zinc/67/84/55/483678455.db2.gz UCAVWILSOHVARV-SNVBAGLBSA-N -1 0 372.399 -0.004 20 0 FBADRM COC(=O)CNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000592993066 483678670 /nfs/dbraw/zinc/67/86/70/483678670.db2.gz RKPWDBCTWYSBOC-GHMZBOCLSA-N -1 0 356.356 -0.203 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)[O-] ZINC000593255443 483682776 /nfs/dbraw/zinc/68/27/76/483682776.db2.gz NIZWNVTVDGSHJC-ZETCQYMHSA-N -1 0 365.389 -0.214 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1coc(C(=O)N(C)C)c1C)C(=O)[O-] ZINC000593255729 483682947 /nfs/dbraw/zinc/68/29/47/483682947.db2.gz XPVWCAMSXCHYOM-QMMMGPOBSA-N -1 0 362.360 -0.416 20 0 FBADRM COc1ncc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])cc1Cl ZINC000593270006 483682785 /nfs/dbraw/zinc/68/27/85/483682785.db2.gz JDVRVYANJQCWHX-AOUSDQRYSA-N -1 0 368.820 -0.050 20 0 FBADRM COc1ncc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])cc1Cl ZINC000593270007 483682868 /nfs/dbraw/zinc/68/28/68/483682868.db2.gz JDVRVYANJQCWHX-BTKVJGODSA-N -1 0 368.820 -0.050 20 0 FBADRM COc1ncc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])cc1Cl ZINC000593270009 483682459 /nfs/dbraw/zinc/68/24/59/483682459.db2.gz JDVRVYANJQCWHX-FPVGNUTFSA-N -1 0 368.820 -0.050 20 0 FBADRM COc1ncc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])cc1Cl ZINC000593270011 483682613 /nfs/dbraw/zinc/68/26/13/483682613.db2.gz JDVRVYANJQCWHX-JLTPVHFHSA-N -1 0 368.820 -0.050 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1coc(C(=O)N(C)C)c1C)C(=O)[O-] ZINC000593272010 483682998 /nfs/dbraw/zinc/68/29/98/483682998.db2.gz XPVWCAMSXCHYOM-MRVPVSSYSA-N -1 0 362.360 -0.416 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](Cc1ncccn1)C(=O)[O-] ZINC000593272087 483682779 /nfs/dbraw/zinc/68/27/79/483682779.db2.gz CEKSJSXSFVFFPU-GHMZBOCLSA-N -1 0 372.403 -0.666 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](Cc1ncccn1)C(=O)[O-] ZINC000593272088 483683023 /nfs/dbraw/zinc/68/30/23/483683023.db2.gz CEKSJSXSFVFFPU-MNOVXSKESA-N -1 0 372.403 -0.666 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)[O-] ZINC000593272089 483682772 /nfs/dbraw/zinc/68/27/72/483682772.db2.gz CEKSJSXSFVFFPU-QWRGUYRKSA-N -1 0 372.403 -0.666 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)[O-] ZINC000593272090 483683004 /nfs/dbraw/zinc/68/30/04/483683004.db2.gz CEKSJSXSFVFFPU-WDEREUQCSA-N -1 0 372.403 -0.666 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](Cc1ncccn1)C(=O)[O-] ZINC000593272111 483682833 /nfs/dbraw/zinc/68/28/33/483682833.db2.gz CVSKDKYMWGBAMY-SECBINFHSA-N -1 0 369.359 -0.649 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)[O-] ZINC000593272112 483682994 /nfs/dbraw/zinc/68/29/94/483682994.db2.gz CVSKDKYMWGBAMY-VIFPVBQESA-N -1 0 369.359 -0.649 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N[C@@H](Cc2ncccn2)C(=O)[O-])CCC1 ZINC000593274055 483682854 /nfs/dbraw/zinc/68/28/54/483682854.db2.gz QFSVSTBAMAZUCZ-JTQLQIEISA-N -1 0 357.388 -0.265 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N[C@H](Cc2ncccn2)C(=O)[O-])CCC1 ZINC000593274057 483682895 /nfs/dbraw/zinc/68/28/95/483682895.db2.gz QFSVSTBAMAZUCZ-SNVBAGLBSA-N -1 0 357.388 -0.265 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)N[C@@H](Cc2ncccn2)C(=O)[O-])CC1 ZINC000593275314 483682897 /nfs/dbraw/zinc/68/28/97/483682897.db2.gz XFLYWYCIOAUJGW-JTQLQIEISA-N -1 0 357.388 -0.265 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)N[C@H](Cc2ncccn2)C(=O)[O-])CC1 ZINC000593275315 483682703 /nfs/dbraw/zinc/68/27/03/483682703.db2.gz XFLYWYCIOAUJGW-SNVBAGLBSA-N -1 0 357.388 -0.265 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](CC1(OC)CCC1)C(=O)[O-] ZINC000593275702 483682954 /nfs/dbraw/zinc/68/29/54/483682954.db2.gz GTCDEUSUFIXEJN-JTQLQIEISA-N -1 0 352.409 -0.272 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](CC1(OC)CCC1)C(=O)[O-] ZINC000593275704 483682828 /nfs/dbraw/zinc/68/28/28/483682828.db2.gz GTCDEUSUFIXEJN-SNVBAGLBSA-N -1 0 352.409 -0.272 20 0 FBADRM CCOC(=O)Cn1nc(C)cc1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000593281169 483682727 /nfs/dbraw/zinc/68/27/27/483682727.db2.gz LKXNZRWMPIDQJR-UHFFFAOYSA-N -1 0 369.403 -0.007 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(CC(=O)[O-])cc1)C(=O)OC ZINC000593308012 483683433 /nfs/dbraw/zinc/68/34/33/483683433.db2.gz YLOAHLMLEQQESS-LLVKDONJSA-N -1 0 359.356 -0.303 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(CC(=O)[O-])cc1)C(=O)OC ZINC000593308013 483683289 /nfs/dbraw/zinc/68/32/89/483683289.db2.gz YLOAHLMLEQQESS-NSHDSACASA-N -1 0 359.356 -0.303 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cccc(CC(=O)[O-])c1)C(=O)OC ZINC000593309154 483683383 /nfs/dbraw/zinc/68/33/83/483683383.db2.gz ZOIFJZLNWCVOHB-LLVKDONJSA-N -1 0 359.356 -0.303 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1cccc(CC(=O)[O-])c1)C(=O)OC ZINC000593309155 483683557 /nfs/dbraw/zinc/68/35/57/483683557.db2.gz ZOIFJZLNWCVOHB-NSHDSACASA-N -1 0 359.356 -0.303 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)cc1 ZINC000593315039 483683470 /nfs/dbraw/zinc/68/34/70/483683470.db2.gz FXFQGLVCKCOPQC-LYSPQLLHSA-N -1 0 372.424 -0.605 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)cc1 ZINC000593315041 483683573 /nfs/dbraw/zinc/68/35/73/483683573.db2.gz FXFQGLVCKCOPQC-JOMGAKPTSA-N -1 0 372.424 -0.605 20 0 FBADRM COC(=O)C[C@H]([N-]S(=O)(=O)CC1(OC)CCOCC1)C(=O)OC ZINC000593527153 483685905 /nfs/dbraw/zinc/68/59/05/483685905.db2.gz OEBVCBAKVMRASP-JTQLQIEISA-N -1 0 353.393 -0.794 20 0 FBADRM COC(=O)C[C@@H]([N-]S(=O)(=O)CC1(OC)CCOCC1)C(=O)OC ZINC000593527287 483686297 /nfs/dbraw/zinc/68/62/97/483686297.db2.gz OEBVCBAKVMRASP-SNVBAGLBSA-N -1 0 353.393 -0.794 20 0 FBADRM COC(=O)[C@@H](CCF)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000593631428 483687824 /nfs/dbraw/zinc/68/78/24/483687824.db2.gz CDSFPBJIOJHOGJ-MRVPVSSYSA-N -1 0 360.323 -0.385 20 0 FBADRM COC(=O)[C@H](CCF)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000593631429 483687840 /nfs/dbraw/zinc/68/78/40/483687840.db2.gz CDSFPBJIOJHOGJ-QMMMGPOBSA-N -1 0 360.323 -0.385 20 0 FBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000593699806 483690043 /nfs/dbraw/zinc/69/00/43/483690043.db2.gz BWGVCHJBBAIIKV-GMTAPVOTSA-N -1 0 368.477 -0.252 20 0 FBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000593699807 483690311 /nfs/dbraw/zinc/69/03/11/483690311.db2.gz BWGVCHJBBAIIKV-OUAUKWLOSA-N -1 0 368.477 -0.252 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)C[C@H](C)O1 ZINC000593701121 483690142 /nfs/dbraw/zinc/69/01/42/483690142.db2.gz GLERGFDGPYIKAB-IUCAKERBSA-N -1 0 370.431 -0.015 20 0 FBADRM COC(=O)CC[C@H](NC(=O)c1cnc([O-])n(C)c1=O)C(=O)OC(C)(C)C ZINC000593752168 483692211 /nfs/dbraw/zinc/69/22/11/483692211.db2.gz UQHYMDNTGVWMRZ-JTQLQIEISA-N -1 0 369.374 -0.121 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)C[C@H](C)O1 ZINC000593769337 483692357 /nfs/dbraw/zinc/69/23/57/483692357.db2.gz HQULYVCGYYJVGG-AVGNSLFASA-N -1 0 370.402 -0.121 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)C[C@H](C)O1 ZINC000593769338 483692103 /nfs/dbraw/zinc/69/21/03/483692103.db2.gz HQULYVCGYYJVGG-XQQFMLRXSA-N -1 0 370.402 -0.121 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C[C@H](C)O1 ZINC000593769353 483692136 /nfs/dbraw/zinc/69/21/36/483692136.db2.gz IAPZRJALEOAYPT-SRVKXCTJSA-N -1 0 356.375 -0.511 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C[C@H](C)O1 ZINC000593769354 483692335 /nfs/dbraw/zinc/69/23/35/483692335.db2.gz IAPZRJALEOAYPT-TUAOUCFPSA-N -1 0 356.375 -0.511 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000593769842 483692236 /nfs/dbraw/zinc/69/22/36/483692236.db2.gz OABVYXSMIVGXGQ-BJDJZHNGSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000593769846 483692398 /nfs/dbraw/zinc/69/23/98/483692398.db2.gz OABVYXSMIVGXGQ-KXNHARMFSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000593769849 483692033 /nfs/dbraw/zinc/69/20/33/483692033.db2.gz OABVYXSMIVGXGQ-RHYQMDGZSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)C[C@H](C)O1 ZINC000593769850 483692113 /nfs/dbraw/zinc/69/21/13/483692113.db2.gz OABVYXSMIVGXGQ-YFKTTZPYSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000593770481 483692141 /nfs/dbraw/zinc/69/21/41/483692141.db2.gz RPJWWOGLGCEIFE-BJDJZHNGSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000593770482 483692232 /nfs/dbraw/zinc/69/22/32/483692232.db2.gz RPJWWOGLGCEIFE-KXNHARMFSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000593770483 483692424 /nfs/dbraw/zinc/69/24/24/483692424.db2.gz RPJWWOGLGCEIFE-RHYQMDGZSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000593770484 483692255 /nfs/dbraw/zinc/69/22/55/483692255.db2.gz RPJWWOGLGCEIFE-YFKTTZPYSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C[C@H]1C1CC1 ZINC000593770512 483692711 /nfs/dbraw/zinc/69/27/11/483692711.db2.gz RYZSETUAPIJOHK-QWHCGFSZSA-N -1 0 352.387 -0.033 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C[C@H](C)O1 ZINC000593771413 483692895 /nfs/dbraw/zinc/69/28/95/483692895.db2.gz ZWSRKYBBYZVXRL-QWRGUYRKSA-N -1 0 356.375 -0.511 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])C[C@H](C)O1 ZINC000593772961 483692744 /nfs/dbraw/zinc/69/27/44/483692744.db2.gz ANBMXESSKAXDEI-SRVKXCTJSA-N -1 0 358.391 -0.362 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])C[C@H](C)O1 ZINC000593772962 483692726 /nfs/dbraw/zinc/69/27/26/483692726.db2.gz ANBMXESSKAXDEI-TUAOUCFPSA-N -1 0 358.391 -0.362 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000593775615 483691453 /nfs/dbraw/zinc/69/14/53/483691453.db2.gz GSWONFYDJFZSOM-GWCFXTLKSA-N -1 0 364.354 -0.210 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)C[C@H](C)O1 ZINC000593775679 483691823 /nfs/dbraw/zinc/69/18/23/483691823.db2.gz ISCVECBWPVGTQK-XKGSQUFQSA-N -1 0 356.375 -0.465 20 0 FBADRM CSCCCNC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000593777619 483691700 /nfs/dbraw/zinc/69/17/00/483691700.db2.gz MUJTXOSVJCLZGD-LLVKDONJSA-N -1 0 371.459 -0.220 20 0 FBADRM CSCCCNC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000593777620 483691537 /nfs/dbraw/zinc/69/15/37/483691537.db2.gz MUJTXOSVJCLZGD-NSHDSACASA-N -1 0 371.459 -0.220 20 0 FBADRM CS[C@H](C)CNC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000593778718 483691595 /nfs/dbraw/zinc/69/15/95/483691595.db2.gz QIOJKFQLHPRSHT-GHMZBOCLSA-N -1 0 371.459 -0.222 20 0 FBADRM CS[C@H](C)CNC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000593778719 483691480 /nfs/dbraw/zinc/69/14/80/483691480.db2.gz QIOJKFQLHPRSHT-MNOVXSKESA-N -1 0 371.459 -0.222 20 0 FBADRM CS[C@@H](C)CNC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000593778720 483691900 /nfs/dbraw/zinc/69/19/00/483691900.db2.gz QIOJKFQLHPRSHT-QWRGUYRKSA-N -1 0 371.459 -0.222 20 0 FBADRM CS[C@@H](C)CNC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000593778721 483691542 /nfs/dbraw/zinc/69/15/42/483691542.db2.gz QIOJKFQLHPRSHT-WDEREUQCSA-N -1 0 371.459 -0.222 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000593778726 483691626 /nfs/dbraw/zinc/69/16/26/483691626.db2.gz QJKGPRFBJWWYIO-GWCFXTLKSA-N -1 0 364.354 -0.210 20 0 FBADRM CSC[C@@H](C)NC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000593780485 483691905 /nfs/dbraw/zinc/69/19/05/483691905.db2.gz XVWVISISBFHJPJ-GHMZBOCLSA-N -1 0 371.459 -0.222 20 0 FBADRM CSC[C@@H](C)NC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000593780486 483691590 /nfs/dbraw/zinc/69/15/90/483691590.db2.gz XVWVISISBFHJPJ-MNOVXSKESA-N -1 0 371.459 -0.222 20 0 FBADRM CSC[C@H](C)NC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000593780487 483691829 /nfs/dbraw/zinc/69/18/29/483691829.db2.gz XVWVISISBFHJPJ-QWRGUYRKSA-N -1 0 371.459 -0.222 20 0 FBADRM CSC[C@H](C)NC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000593780488 483691808 /nfs/dbraw/zinc/69/18/08/483691808.db2.gz XVWVISISBFHJPJ-WDEREUQCSA-N -1 0 371.459 -0.222 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@H]3C[C@@H](C(N)=O)C3)cc2)[n-]1 ZINC000593814906 483692521 /nfs/dbraw/zinc/69/25/21/483692521.db2.gz JSFWZCHPXCOXMX-TXEJJXNPSA-N -1 0 372.381 -0.125 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593863807 483694465 /nfs/dbraw/zinc/69/44/65/483694465.db2.gz OKFUSBIGMJLOLM-YWHIBEFZSA-N -1 0 364.395 -0.025 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593863808 483694297 /nfs/dbraw/zinc/69/42/97/483694297.db2.gz OKFUSBIGMJLOLM-QTYUKPITSA-N -1 0 364.395 -0.025 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593877040 483695015 /nfs/dbraw/zinc/69/50/15/483695015.db2.gz FESFYUZHMQAUFR-SQQOMWROSA-N -1 0 358.441 -0.012 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593877041 483694886 /nfs/dbraw/zinc/69/48/86/483694886.db2.gz FESFYUZHMQAUFR-IMXIGIQMSA-N -1 0 358.441 -0.012 20 0 FBADRM CCOC(=O)c1cnc(NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)[n-]1 ZINC000593900852 483695798 /nfs/dbraw/zinc/69/57/98/483695798.db2.gz GWFREVZTWOTZFV-MRVPVSSYSA-N -1 0 370.391 -0.375 20 0 FBADRM CCOC(=O)c1cnc(NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)[n-]1 ZINC000593900853 483696202 /nfs/dbraw/zinc/69/62/02/483696202.db2.gz GWFREVZTWOTZFV-QMMMGPOBSA-N -1 0 370.391 -0.375 20 0 FBADRM CCOC(=O)c1cnc(NC(=O)CNS(=O)(=O)c2cnn(C)c2)[n-]1 ZINC000593901580 483695903 /nfs/dbraw/zinc/69/59/03/483695903.db2.gz OCZNTZXYXGSVHZ-UHFFFAOYSA-N -1 0 356.364 -0.763 20 0 FBADRM CCOC(=O)c1cnc(NC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)[n-]1 ZINC000593901749 483696096 /nfs/dbraw/zinc/69/60/96/483696096.db2.gz RQMYLPDWIBGZME-UHFFFAOYSA-N -1 0 370.391 -0.455 20 0 FBADRM CCOC(=O)c1cnc(NC(=O)CNS(=O)(=O)c2cn(C)cn2)[n-]1 ZINC000593901830 483696225 /nfs/dbraw/zinc/69/62/25/483696225.db2.gz SOMQCSLXXFWSDC-UHFFFAOYSA-N -1 0 356.364 -0.763 20 0 FBADRM CCOC(=O)c1cnc(NC(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)[n-]1 ZINC000593901840 483695945 /nfs/dbraw/zinc/69/59/45/483695945.db2.gz TZFNWHNMCNUJSS-UHFFFAOYSA-N -1 0 374.357 -0.272 20 0 FBADRM CCOC(=O)c1cnc(NC(=O)CNS(=O)(=O)CCOC(C)C)[n-]1 ZINC000593901886 483695975 /nfs/dbraw/zinc/69/59/75/483695975.db2.gz WODHHMSJLKCZEU-UHFFFAOYSA-N -1 0 362.408 -0.131 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cn1 ZINC000593945031 483696687 /nfs/dbraw/zinc/69/66/87/483696687.db2.gz DYUVQEUURKYMJO-GFCCVEGCSA-N -1 0 368.371 -0.575 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cn1 ZINC000593945032 483696525 /nfs/dbraw/zinc/69/65/25/483696525.db2.gz DYUVQEUURKYMJO-LBPRGKRZSA-N -1 0 368.371 -0.575 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC000593945416 483696484 /nfs/dbraw/zinc/69/64/84/483696484.db2.gz LYZLUDZKDQTLQD-LLVKDONJSA-N -1 0 368.371 -0.044 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000593945417 483696617 /nfs/dbraw/zinc/69/66/17/483696617.db2.gz LYZLUDZKDQTLQD-NSHDSACASA-N -1 0 368.371 -0.044 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)[O-])CC1 ZINC000593946032 483696897 /nfs/dbraw/zinc/69/68/97/483696897.db2.gz ZIZYMTFBNDEIFF-CYBMUJFWSA-N -1 0 371.415 -0.203 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])CC1 ZINC000593946033 483696699 /nfs/dbraw/zinc/69/66/99/483696699.db2.gz ZIZYMTFBNDEIFF-ZDUSSCGKSA-N -1 0 371.415 -0.203 20 0 FBADRM CCOC(=O)Cn1ccc(NC(=O)NCC2(C(=O)[O-])CCOCC2)n1 ZINC000593958822 484380081 /nfs/dbraw/zinc/38/00/81/484380081.db2.gz ZYXWYYKLSXATSC-UHFFFAOYSA-N -1 0 354.363 0.449 20 0 FBADRM Cn1[n-]nnc1=NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000593994554 483696788 /nfs/dbraw/zinc/69/67/88/483696788.db2.gz VOINXAVTHNFJGP-UHFFFAOYSA-N -1 0 352.420 -0.594 20 0 FBADRM CC(=O)N1CCN(CCOc2ccc(CCN=c3nn[n-]n3C)cc2)CC1 ZINC000593996245 483696726 /nfs/dbraw/zinc/69/67/26/483696726.db2.gz DEDLFUUKYMMQJC-UHFFFAOYSA-N -1 0 373.461 -0.171 20 0 FBADRM CCOC(=O)Cn1ccc(=NC(=O)N=c2[n-]n(C)cc2C(=O)OCC)[nH]1 ZINC000594081127 483698179 /nfs/dbraw/zinc/69/81/79/483698179.db2.gz OBDLSFDXDAFLFD-UHFFFAOYSA-N -1 0 364.362 -0.156 20 0 FBADRM CCOC(=O)Cn1cnc(=NC(=O)N=c2ccn(CC(=O)OCC)[nH]2)[n-]1 ZINC000594128594 483697730 /nfs/dbraw/zinc/69/77/30/483697730.db2.gz UHVIFQFUVAFQLS-UHFFFAOYSA-N -1 0 365.350 -0.911 20 0 FBADRM COc1cccc(S([O-])=CC(=O)Nc2cn(C)c(=O)n(C)c2=O)c1 ZINC000594360770 483702658 /nfs/dbraw/zinc/70/26/58/483702658.db2.gz UDQGWPPCYZKYFF-DEOSSOPVSA-N -1 0 351.384 -0.161 20 0 FBADRM COc1cccc(S([O-])=CC(=O)Nc2cn(C)c(=O)n(C)c2=O)c1 ZINC000594360771 483702786 /nfs/dbraw/zinc/70/27/86/483702786.db2.gz UDQGWPPCYZKYFF-XMMPIXPASA-N -1 0 351.384 -0.161 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000594461211 483703195 /nfs/dbraw/zinc/70/31/95/483703195.db2.gz YICBZDSRZNDBBA-JTQLQIEISA-N -1 0 372.399 -0.022 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000594461212 483703175 /nfs/dbraw/zinc/70/31/75/483703175.db2.gz YICBZDSRZNDBBA-SNVBAGLBSA-N -1 0 372.399 -0.022 20 0 FBADRM CCOC(=O)Cn1ccc([N-]S(=O)(=O)c2cnn(CC(=O)OC)c2)n1 ZINC000594462176 483704132 /nfs/dbraw/zinc/70/41/32/483704132.db2.gz LPVRBBJCNPQZDG-UHFFFAOYSA-N -1 0 371.375 -0.384 20 0 FBADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)CSCC(=O)N1CCOCC1 ZINC000594462736 483703697 /nfs/dbraw/zinc/70/36/97/483703697.db2.gz GQKGZUYPHAGHCI-CYBMUJFWSA-N -1 0 367.427 -0.215 20 0 FBADRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)CSCC(=O)N1CCOCC1 ZINC000594462738 483703923 /nfs/dbraw/zinc/70/39/23/483703923.db2.gz GQKGZUYPHAGHCI-ZDUSSCGKSA-N -1 0 367.427 -0.215 20 0 FBADRM CCOC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)n1 ZINC000594465797 483703113 /nfs/dbraw/zinc/70/31/13/483703113.db2.gz HSZFCXWDSQBJML-UHFFFAOYSA-N -1 0 355.376 -0.316 20 0 FBADRM CCOC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)NC)n(C)c2)n1 ZINC000594466447 483703316 /nfs/dbraw/zinc/70/33/16/483703316.db2.gz ODKPYXDMAOFTTR-UHFFFAOYSA-N -1 0 369.403 -0.055 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CCc2c(nnn2C)C1 ZINC000594479993 483704033 /nfs/dbraw/zinc/70/40/33/483704033.db2.gz YQEMGDUNWRTSFK-SSDOTTSWSA-N -1 0 357.417 -0.106 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CCc2c(nnn2C)C1 ZINC000594479994 483704091 /nfs/dbraw/zinc/70/40/91/483704091.db2.gz YQEMGDUNWRTSFK-ZETCQYMHSA-N -1 0 357.417 -0.106 20 0 FBADRM CCOC(=O)Cn1ccc(=NC(=O)N=c2nc3nc(C)cc(C)n3[n-]2)[nH]1 ZINC000594524871 483705252 /nfs/dbraw/zinc/70/52/52/483705252.db2.gz MLHNUZGLVVVDGW-UHFFFAOYSA-N -1 0 358.362 -0.011 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])c2ccccc2O1 ZINC000594527012 483705143 /nfs/dbraw/zinc/70/51/43/483705143.db2.gz HYYWRFORPJLCSB-BXKDBHETSA-N -1 0 350.327 -0.210 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])c2ccccc2O1 ZINC000594527018 483704967 /nfs/dbraw/zinc/70/49/67/483704967.db2.gz HYYWRFORPJLCSB-CABZTGNLSA-N -1 0 350.327 -0.210 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])c2ccccc2O1 ZINC000594527019 483705010 /nfs/dbraw/zinc/70/50/10/483705010.db2.gz HYYWRFORPJLCSB-JOYOIKCWSA-N -1 0 350.327 -0.210 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])c2ccccc2O1 ZINC000594527020 483704956 /nfs/dbraw/zinc/70/49/56/483704956.db2.gz HYYWRFORPJLCSB-SKDRFNHKSA-N -1 0 350.327 -0.210 20 0 FBADRM COC(=O)c1cc2c(cc1NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])OCO2 ZINC000594528576 483705066 /nfs/dbraw/zinc/70/50/66/483705066.db2.gz VFUJFPLTUMKWGX-SSDOTTSWSA-N -1 0 352.299 -0.023 20 0 FBADRM COC(=O)c1cc2c(cc1NC(=O)C(=O)NC[C@H](C)C(=O)[O-])OCO2 ZINC000594528577 483705092 /nfs/dbraw/zinc/70/50/92/483705092.db2.gz VFUJFPLTUMKWGX-ZETCQYMHSA-N -1 0 352.299 -0.023 20 0 FBADRM CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cn1 ZINC000594529056 483705203 /nfs/dbraw/zinc/70/52/03/483705203.db2.gz YLGLVIOMTKPGSA-SECBINFHSA-N -1 0 354.363 -0.043 20 0 FBADRM CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cn1 ZINC000594529057 483705878 /nfs/dbraw/zinc/70/58/78/483705878.db2.gz YLGLVIOMTKPGSA-VIFPVBQESA-N -1 0 354.363 -0.043 20 0 FBADRM COC(=O)COc1cccc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000594529466 483706014 /nfs/dbraw/zinc/70/60/14/483706014.db2.gz JDNDMMLMODJLMN-JTQLQIEISA-N -1 0 352.343 -0.309 20 0 FBADRM COC(=O)COc1cccc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000594529467 483705813 /nfs/dbraw/zinc/70/58/13/483705813.db2.gz JDNDMMLMODJLMN-SNVBAGLBSA-N -1 0 352.343 -0.309 20 0 FBADRM COC(=O)Cn1ncc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)c1C ZINC000594529693 483706040 /nfs/dbraw/zinc/70/60/40/483706040.db2.gz DKWBPTWQYHGLLO-JTQLQIEISA-N -1 0 354.363 -0.224 20 0 FBADRM COC(=O)Cn1ncc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1C ZINC000594529694 483705785 /nfs/dbraw/zinc/70/57/85/483705785.db2.gz DKWBPTWQYHGLLO-SNVBAGLBSA-N -1 0 354.363 -0.224 20 0 FBADRM CCOC(=O)c1csc(CCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])n1 ZINC000594530056 483705651 /nfs/dbraw/zinc/70/56/51/483705651.db2.gz PQLPHHZDJYUBCO-MRVPVSSYSA-N -1 0 357.388 -0.185 20 0 FBADRM CCOC(=O)c1csc(CCNC(=O)C(=O)NC[C@H](C)C(=O)[O-])n1 ZINC000594530057 483705792 /nfs/dbraw/zinc/70/57/92/483705792.db2.gz PQLPHHZDJYUBCO-QMMMGPOBSA-N -1 0 357.388 -0.185 20 0 FBADRM COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000594530557 483705648 /nfs/dbraw/zinc/70/56/48/483705648.db2.gz KILWMQFSEIXVRK-SECBINFHSA-N -1 0 365.342 -0.635 20 0 FBADRM COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000594530559 483705829 /nfs/dbraw/zinc/70/58/29/483705829.db2.gz KILWMQFSEIXVRK-VIFPVBQESA-N -1 0 365.342 -0.635 20 0 FBADRM Cc1nnc2n1C[C@@H](CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CC2 ZINC000594531295 483706010 /nfs/dbraw/zinc/70/60/10/483706010.db2.gz ZOTRECBDHQOTTQ-NEPJUHHUSA-N -1 0 351.407 -0.262 20 0 FBADRM Cc1nnc2n1C[C@H](CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC2 ZINC000594531296 483705953 /nfs/dbraw/zinc/70/59/53/483705953.db2.gz ZOTRECBDHQOTTQ-NWDGAFQWSA-N -1 0 351.407 -0.262 20 0 FBADRM Cc1nnc2n1C[C@H](CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CC2 ZINC000594531297 483705597 /nfs/dbraw/zinc/70/55/97/483705597.db2.gz ZOTRECBDHQOTTQ-RYUDHWBXSA-N -1 0 351.407 -0.262 20 0 FBADRM Cc1nnc2n1C[C@@H](CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC2 ZINC000594531298 483705720 /nfs/dbraw/zinc/70/57/20/483705720.db2.gz ZOTRECBDHQOTTQ-VXGBXAGGSA-N -1 0 351.407 -0.262 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000594531983 484410299 /nfs/dbraw/zinc/41/02/99/484410299.db2.gz XWYRZGFBQGSNEH-SECBINFHSA-N -1 0 354.363 0.008 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000594531993 484410807 /nfs/dbraw/zinc/41/08/07/484410807.db2.gz XWYRZGFBQGSNEH-VIFPVBQESA-N -1 0 354.363 0.008 20 0 FBADRM COC(=O)c1cc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])ccc1OC ZINC000594536892 483704346 /nfs/dbraw/zinc/70/43/46/483704346.db2.gz IEQJLZPLIIBPGK-SECBINFHSA-N -1 0 352.343 -0.065 20 0 FBADRM COC(=O)c1cc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])ccc1OC ZINC000594536893 483704703 /nfs/dbraw/zinc/70/47/03/483704703.db2.gz IEQJLZPLIIBPGK-VIFPVBQESA-N -1 0 352.343 -0.065 20 0 FBADRM COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)[C@H](C)C1 ZINC000594537869 483704734 /nfs/dbraw/zinc/70/47/34/483704734.db2.gz IPFFXACCMZOKCU-CHWSQXEVSA-N -1 0 371.434 -0.445 20 0 FBADRM COC(=O)CCN1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)[C@H](C)C1 ZINC000594537871 483704570 /nfs/dbraw/zinc/70/45/70/483704570.db2.gz IPFFXACCMZOKCU-OLZOCXBDSA-N -1 0 371.434 -0.445 20 0 FBADRM COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)[C@@H](C)C1 ZINC000594537872 483704459 /nfs/dbraw/zinc/70/44/59/483704459.db2.gz IPFFXACCMZOKCU-QWHCGFSZSA-N -1 0 371.434 -0.445 20 0 FBADRM COC(=O)CCN1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)[C@@H](C)C1 ZINC000594537873 483704487 /nfs/dbraw/zinc/70/44/87/483704487.db2.gz IPFFXACCMZOKCU-STQMWFEESA-N -1 0 371.434 -0.445 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CCO1 ZINC000594540797 483704602 /nfs/dbraw/zinc/70/46/02/483704602.db2.gz UMYKMSJAFLRLBZ-KXNHARMFSA-N -1 0 370.402 -0.362 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CCO1 ZINC000594540798 483704593 /nfs/dbraw/zinc/70/45/93/483704593.db2.gz UMYKMSJAFLRLBZ-NNYUYHANSA-N -1 0 370.402 -0.362 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CCO1 ZINC000594540799 483704768 /nfs/dbraw/zinc/70/47/68/483704768.db2.gz UMYKMSJAFLRLBZ-WRWGMCAJSA-N -1 0 370.402 -0.362 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CCO1 ZINC000594540800 483704722 /nfs/dbraw/zinc/70/47/22/483704722.db2.gz UMYKMSJAFLRLBZ-YFKTTZPYSA-N -1 0 370.402 -0.362 20 0 FBADRM COC(=O)c1cn(C2CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC2)nn1 ZINC000594542563 483704789 /nfs/dbraw/zinc/70/47/89/483704789.db2.gz DWUJWSKYEZNQRB-SECBINFHSA-N -1 0 367.362 -0.935 20 0 FBADRM COC(=O)c1cn(C2CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC2)nn1 ZINC000594542568 483704711 /nfs/dbraw/zinc/70/47/11/483704711.db2.gz DWUJWSKYEZNQRB-VIFPVBQESA-N -1 0 367.362 -0.935 20 0 FBADRM CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)C(=O)NC[C@H](C)C(=O)[O-])cn1 ZINC000594542719 483704700 /nfs/dbraw/zinc/70/47/00/483704700.db2.gz GCJHNYGHJQFTPV-HOEQXEBASA-N -1 0 370.431 -0.628 20 0 FBADRM CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)C(=O)NC[C@@H](C)C(=O)[O-])cn1 ZINC000594542721 483704641 /nfs/dbraw/zinc/70/46/41/483704641.db2.gz GCJHNYGHJQFTPV-JBBSYBRQSA-N -1 0 370.431 -0.628 20 0 FBADRM CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)C(=O)NC[C@@H](C)C(=O)[O-])cn1 ZINC000594542722 483704718 /nfs/dbraw/zinc/70/47/18/483704718.db2.gz GCJHNYGHJQFTPV-MUBBBGELSA-N -1 0 370.431 -0.628 20 0 FBADRM CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)C(=O)NC[C@H](C)C(=O)[O-])cn1 ZINC000594542723 483704772 /nfs/dbraw/zinc/70/47/72/483704772.db2.gz GCJHNYGHJQFTPV-VMONGQDGSA-N -1 0 370.431 -0.628 20 0 FBADRM COC(=O)c1ccc(OCCNC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000594543832 483704355 /nfs/dbraw/zinc/70/43/55/483704355.db2.gz HYJCCUWKOPUNSE-JTQLQIEISA-N -1 0 352.343 -0.195 20 0 FBADRM COC(=O)c1ccc(OCCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000594543833 483704466 /nfs/dbraw/zinc/70/44/66/483704466.db2.gz HYJCCUWKOPUNSE-SNVBAGLBSA-N -1 0 352.343 -0.195 20 0 FBADRM COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C2)nn1 ZINC000594544424 483704598 /nfs/dbraw/zinc/70/45/98/483704598.db2.gz LEZVWVSVWYBOPF-NXEZZACHSA-N -1 0 367.362 -0.935 20 0 FBADRM COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C2)nn1 ZINC000594544425 483704497 /nfs/dbraw/zinc/70/44/97/483704497.db2.gz LEZVWVSVWYBOPF-UWVGGRQHSA-N -1 0 367.362 -0.935 20 0 FBADRM COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C2)nn1 ZINC000594544426 483704576 /nfs/dbraw/zinc/70/45/76/483704576.db2.gz LEZVWVSVWYBOPF-VHSXEESVSA-N -1 0 367.362 -0.935 20 0 FBADRM COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C2)nn1 ZINC000594544427 483704409 /nfs/dbraw/zinc/70/44/09/483704409.db2.gz LEZVWVSVWYBOPF-ZJUUUORDSA-N -1 0 367.362 -0.935 20 0 FBADRM CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000594544552 483704398 /nfs/dbraw/zinc/70/43/98/483704398.db2.gz MGGYGJFQVMWVTE-BDJLRTHQSA-N -1 0 358.391 -0.358 20 0 FBADRM CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000594544557 483704627 /nfs/dbraw/zinc/70/46/27/483704627.db2.gz MGGYGJFQVMWVTE-BZNIZROVSA-N -1 0 358.391 -0.358 20 0 FBADRM CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000594544562 483704413 /nfs/dbraw/zinc/70/44/13/483704413.db2.gz MGGYGJFQVMWVTE-MEDUHNTESA-N -1 0 358.391 -0.358 20 0 FBADRM CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000594544563 483704565 /nfs/dbraw/zinc/70/45/65/483704565.db2.gz MGGYGJFQVMWVTE-ZBEGNZNMSA-N -1 0 358.391 -0.358 20 0 FBADRM COC(=O)[C@H]1CSCCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC000594544874 483704623 /nfs/dbraw/zinc/70/46/23/483704623.db2.gz NRHFOVJBLNLXAV-GHMZBOCLSA-N -1 0 360.432 -0.176 20 0 FBADRM COC(=O)[C@H]1CSCCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1 ZINC000594544875 483704351 /nfs/dbraw/zinc/70/43/51/483704351.db2.gz NRHFOVJBLNLXAV-MNOVXSKESA-N -1 0 360.432 -0.176 20 0 FBADRM COC(=O)[C@@H]1CSCCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1 ZINC000594544876 483705095 /nfs/dbraw/zinc/70/50/95/483705095.db2.gz NRHFOVJBLNLXAV-QWRGUYRKSA-N -1 0 360.432 -0.176 20 0 FBADRM COC(=O)[C@@H]1CSCCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC000594544877 483705013 /nfs/dbraw/zinc/70/50/13/483705013.db2.gz NRHFOVJBLNLXAV-WDEREUQCSA-N -1 0 360.432 -0.176 20 0 FBADRM COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000594546017 483705103 /nfs/dbraw/zinc/70/51/03/483705103.db2.gz UCICOBARZAXAID-NEPJUHHUSA-N -1 0 358.391 -0.768 20 0 FBADRM COC(=O)[C@H](O)C1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1 ZINC000594546018 483705101 /nfs/dbraw/zinc/70/51/01/483705101.db2.gz UCICOBARZAXAID-NWDGAFQWSA-N -1 0 358.391 -0.768 20 0 FBADRM COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1 ZINC000594546019 483704885 /nfs/dbraw/zinc/70/48/85/483704885.db2.gz UCICOBARZAXAID-RYUDHWBXSA-N -1 0 358.391 -0.768 20 0 FBADRM COC(=O)[C@H](O)C1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000594546020 483705223 /nfs/dbraw/zinc/70/52/23/483705223.db2.gz UCICOBARZAXAID-VXGBXAGGSA-N -1 0 358.391 -0.768 20 0 FBADRM COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000594546091 483705164 /nfs/dbraw/zinc/70/51/64/483705164.db2.gz UYEHYVPNVXZHFI-GFCCVEGCSA-N -1 0 371.434 -0.445 20 0 FBADRM COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1 ZINC000594546092 483704921 /nfs/dbraw/zinc/70/49/21/483704921.db2.gz UYEHYVPNVXZHFI-LBPRGKRZSA-N -1 0 371.434 -0.445 20 0 FBADRM CCOC(=O)C1(COC)CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000594546095 483704902 /nfs/dbraw/zinc/70/49/02/483704902.db2.gz VKAUGLZKGCLRLH-LLVKDONJSA-N -1 0 358.391 -0.358 20 0 FBADRM CCOC(=O)C1(COC)CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000594546653 483705210 /nfs/dbraw/zinc/70/52/10/483705210.db2.gz VKAUGLZKGCLRLH-NSHDSACASA-N -1 0 358.391 -0.358 20 0 FBADRM COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1F ZINC000594569996 483705557 /nfs/dbraw/zinc/70/55/57/483705557.db2.gz APORDLGKQKNUGZ-SSDOTTSWSA-N -1 0 355.727 -0.011 20 0 FBADRM COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1F ZINC000594570647 483705998 /nfs/dbraw/zinc/70/59/98/483705998.db2.gz SNPCQXSMPLDEIH-ZETCQYMHSA-N -1 0 355.727 -0.011 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCc2nocc2C(=O)[O-])C1 ZINC000594572013 483705943 /nfs/dbraw/zinc/70/59/43/483705943.db2.gz LXCYXYTXYIBGAN-SECBINFHSA-N -1 0 361.376 -0.018 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCc2nocc2C(=O)[O-])C1 ZINC000594572018 483705684 /nfs/dbraw/zinc/70/56/84/483705684.db2.gz LXCYXYTXYIBGAN-VIFPVBQESA-N -1 0 361.376 -0.018 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)NCc2nocc2C(=O)[O-])CC1 ZINC000594572320 483705930 /nfs/dbraw/zinc/70/59/30/483705930.db2.gz YTURNRQRCYGERJ-UHFFFAOYSA-N -1 0 361.376 -0.018 20 0 FBADRM COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1F ZINC000594574527 483705657 /nfs/dbraw/zinc/70/56/57/483705657.db2.gz APORDLGKQKNUGZ-ZETCQYMHSA-N -1 0 355.727 -0.011 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](C[C@@H](OC)C1CC1)C(=O)[O-] ZINC000594575612 483706036 /nfs/dbraw/zinc/70/60/36/483706036.db2.gz MUPMMMPAULIRQS-GHMZBOCLSA-N -1 0 352.409 -0.416 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](C[C@H](OC)C1CC1)C(=O)[O-] ZINC000594575713 483705780 /nfs/dbraw/zinc/70/57/80/483705780.db2.gz MUPMMMPAULIRQS-MNOVXSKESA-N -1 0 352.409 -0.416 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](C[C@H](OC)C1CC1)C(=O)[O-] ZINC000594575714 483705600 /nfs/dbraw/zinc/70/56/00/483705600.db2.gz MUPMMMPAULIRQS-QWRGUYRKSA-N -1 0 352.409 -0.416 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](C[C@@H](OC)C1CC1)C(=O)[O-] ZINC000594575715 483705940 /nfs/dbraw/zinc/70/59/40/483705940.db2.gz MUPMMMPAULIRQS-WDEREUQCSA-N -1 0 352.409 -0.416 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cncc(OC(C)C)n2)cn1 ZINC000594582417 484261636 /nfs/dbraw/zinc/26/16/36/484261636.db2.gz SNIDWFMOXPNRRV-UHFFFAOYSA-N -1 0 355.376 0.434 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N(CCSC)CC(=O)[O-])cn1 ZINC000594670763 483709211 /nfs/dbraw/zinc/70/92/11/483709211.db2.gz KYUJGQHVRXSEFK-UHFFFAOYSA-N -1 0 351.406 -0.506 20 0 FBADRM CSCCN(CC(=O)[O-])S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000594670827 483709188 /nfs/dbraw/zinc/70/91/88/483709188.db2.gz OBSDHDHJPWCQLK-UHFFFAOYSA-N -1 0 368.458 -0.077 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N(CCSC)CC(=O)[O-])CC1 ZINC000594670831 483709331 /nfs/dbraw/zinc/70/93/31/483709331.db2.gz OEFGEFQNFMBSOD-UHFFFAOYSA-N -1 0 354.450 -0.134 20 0 FBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])c1 ZINC000594671099 483709267 /nfs/dbraw/zinc/70/92/67/483709267.db2.gz HKNNPTDKJKUWFW-KPWVOAKYSA-N -1 0 360.413 -0.700 20 0 FBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])c1 ZINC000594671100 483709178 /nfs/dbraw/zinc/70/91/78/483709178.db2.gz HKNNPTDKJKUWFW-RKFFSXRUSA-N -1 0 360.413 -0.700 20 0 FBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])c1 ZINC000594671101 483709330 /nfs/dbraw/zinc/70/93/30/483709330.db2.gz HKNNPTDKJKUWFW-SAHAZLINSA-N -1 0 360.413 -0.700 20 0 FBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])c1 ZINC000594671102 483709538 /nfs/dbraw/zinc/70/95/38/483709538.db2.gz HKNNPTDKJKUWFW-XFNZEKPQSA-N -1 0 360.413 -0.700 20 0 FBADRM CSCCN(CC(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000594671244 483709186 /nfs/dbraw/zinc/70/91/86/483709186.db2.gz XZRJQBMAUWTJPN-UHFFFAOYSA-N -1 0 373.412 -0.345 20 0 FBADRM CCOC(=O)CC[C@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)[O-] ZINC000594671263 483709254 /nfs/dbraw/zinc/70/92/54/483709254.db2.gz KAOFRLLYXASQEC-NSHDSACASA-N -1 0 352.409 -0.272 20 0 FBADRM CSCCN(CC(=O)[O-])S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000594671368 483709227 /nfs/dbraw/zinc/70/92/27/483709227.db2.gz ZWWRFDVERFJUQL-UHFFFAOYSA-N -1 0 368.458 -0.228 20 0 FBADRM CSCCN(CC(=O)[O-])S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000594671897 483709153 /nfs/dbraw/zinc/70/91/53/483709153.db2.gz FBKLLLBUKPETJE-UHFFFAOYSA-N -1 0 368.458 -0.228 20 0 FBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1cc(C)cc(C(N)=O)c1)C(=O)[O-] ZINC000594672797 483709475 /nfs/dbraw/zinc/70/94/75/483709475.db2.gz CIQPEIXQSONTRG-LLVKDONJSA-N -1 0 358.372 -0.221 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1cc(C)cc(C(N)=O)c1)C(=O)[O-] ZINC000594672798 483709147 /nfs/dbraw/zinc/70/91/47/483709147.db2.gz CIQPEIXQSONTRG-NSHDSACASA-N -1 0 358.372 -0.221 20 0 FBADRM COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c1F ZINC000594673508 483709174 /nfs/dbraw/zinc/70/91/74/483709174.db2.gz SNPCQXSMPLDEIH-SSDOTTSWSA-N -1 0 355.727 -0.011 20 0 FBADRM CSCCN(CC(=O)[O-])S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000594682062 483709190 /nfs/dbraw/zinc/70/91/90/483709190.db2.gz SOGVJKYDERNPMQ-JTQLQIEISA-N -1 0 359.491 -0.109 20 0 FBADRM CSCCN(CC(=O)[O-])S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000594682068 483709606 /nfs/dbraw/zinc/70/96/06/483709606.db2.gz SOGVJKYDERNPMQ-SNVBAGLBSA-N -1 0 359.491 -0.109 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000594682644 483709140 /nfs/dbraw/zinc/70/91/40/483709140.db2.gz BKHOGIIZOCJROP-HTQZYQBOSA-N -1 0 363.310 -0.014 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000594682647 483709223 /nfs/dbraw/zinc/70/92/23/483709223.db2.gz BKHOGIIZOCJROP-JGVFFNPUSA-N -1 0 363.310 -0.014 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000594682649 483709340 /nfs/dbraw/zinc/70/93/40/483709340.db2.gz BKHOGIIZOCJROP-SFYZADRCSA-N -1 0 363.310 -0.014 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000594682651 483709582 /nfs/dbraw/zinc/70/95/82/483709582.db2.gz BKHOGIIZOCJROP-YUMQZZPRSA-N -1 0 363.310 -0.014 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000594682742 483709601 /nfs/dbraw/zinc/70/96/01/483709601.db2.gz CXTDKPPOQBNYRH-BXUZGUMPSA-N -1 0 362.404 -0.851 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1C ZINC000594682795 483709172 /nfs/dbraw/zinc/70/91/72/483709172.db2.gz GFAOAMOWVZLDFW-MEBBXXQBSA-N -1 0 372.399 -0.077 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000594682973 483709264 /nfs/dbraw/zinc/70/92/64/483709264.db2.gz IHHIRJPISAGQTB-JMCQJSRRSA-N -1 0 362.385 -0.349 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC000594683973 483709457 /nfs/dbraw/zinc/70/94/57/483709457.db2.gz NXVZSRKTQHMFIH-YMTOWFKASA-N -1 0 356.356 -0.410 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000594685491 483709595 /nfs/dbraw/zinc/70/95/95/483709595.db2.gz XFRBZFBTLQCVTQ-JMCQJSRRSA-N -1 0 362.385 -0.349 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000594685513 483709303 /nfs/dbraw/zinc/70/93/03/483709303.db2.gz XVDZLIPBNSNDAV-JTNHKYCSSA-N -1 0 362.404 -0.708 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000594685514 483709455 /nfs/dbraw/zinc/70/94/55/483709455.db2.gz XVDZLIPBNSNDAV-UHIISALHSA-N -1 0 362.404 -0.708 20 0 FBADRM COC(=O)c1cncc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000594689112 483709598 /nfs/dbraw/zinc/70/95/98/483709598.db2.gz CIVAUDOWGXWNAX-QMTHXVAHSA-N -1 0 356.356 -0.410 20 0 FBADRM COC(=O)c1ncccc1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000594689148 483709559 /nfs/dbraw/zinc/70/95/59/483709559.db2.gz DHEISZQZQGRKNA-YMTOWFKASA-N -1 0 356.356 -0.410 20 0 FBADRM COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000594689805 483709170 /nfs/dbraw/zinc/70/91/70/483709170.db2.gz GGDGAKBJZSIAES-HNNXBMFYSA-N -1 0 373.383 -0.067 20 0 FBADRM COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000594689809 483709246 /nfs/dbraw/zinc/70/92/46/483709246.db2.gz GGDGAKBJZSIAES-OAHLLOKOSA-N -1 0 373.383 -0.067 20 0 FBADRM COC(=O)COc1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000594690304 483709592 /nfs/dbraw/zinc/70/95/92/483709592.db2.gz LPWGIPJKCKLOHR-AWEZNQCLSA-N -1 0 359.356 -0.240 20 0 FBADRM COC(=O)COc1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000594690305 483709135 /nfs/dbraw/zinc/70/91/35/483709135.db2.gz LPWGIPJKCKLOHR-CQSZACIVSA-N -1 0 359.356 -0.240 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cnc1C ZINC000594691518 483709405 /nfs/dbraw/zinc/70/94/05/483709405.db2.gz UKKDKDGYDYPEAY-MEBBXXQBSA-N -1 0 370.383 -0.102 20 0 FBADRM CCOC(=O)Cc1nnc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)s1 ZINC000594695320 484373793 /nfs/dbraw/zinc/37/37/93/484373793.db2.gz CEFIOLKNNSGHOH-XLKFXECMSA-N -1 0 370.387 0.209 20 0 FBADRM COC(=O)C(C)(C)n1ccc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000594695369 484235029 /nfs/dbraw/zinc/23/50/29/484235029.db2.gz CYGPUHBOCSGJBI-QLJPJBMISA-N -1 0 366.374 0.356 20 0 FBADRM CCOC(=O)Cn1ccc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000594695954 484379475 /nfs/dbraw/zinc/37/94/75/484379475.db2.gz GHTLKHJWSTWRET-MEBBXXQBSA-N -1 0 352.347 0.011 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000594697679 484416338 /nfs/dbraw/zinc/41/63/38/484416338.db2.gz QQAAKOARADIILJ-RFAUZJTJSA-N -1 0 352.347 0.162 20 0 FBADRM COC(=O)c1c(C)nn(C)c1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000594730798 483711193 /nfs/dbraw/zinc/71/11/93/483711193.db2.gz PFNHBBQLVKNIII-UHFFFAOYSA-N -1 0 355.376 -0.247 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2c(C(=O)OC)c(C)nn2C)cn1 ZINC000594731501 483711197 /nfs/dbraw/zinc/71/11/97/483711197.db2.gz WDZMSWGVAQVQHX-UHFFFAOYSA-N -1 0 371.375 -0.315 20 0 FBADRM COC(=O)C[C@H]([N-]S(=O)(=O)C[C@H](OC)[C@H]1CCOC1)C(=O)OC ZINC000594743172 483710114 /nfs/dbraw/zinc/71/01/14/483710114.db2.gz SRRKJGBADCWNNC-DCAQKATOSA-N -1 0 353.393 -0.938 20 0 FBADRM COC(=O)C[C@H]([N-]S(=O)(=O)C[C@@H](OC)[C@H]1CCOC1)C(=O)OC ZINC000594743173 483710031 /nfs/dbraw/zinc/71/00/31/483710031.db2.gz SRRKJGBADCWNNC-GARJFASQSA-N -1 0 353.393 -0.938 20 0 FBADRM COC(=O)C[C@H]([N-]S(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1)C(=O)OC ZINC000594743174 483709805 /nfs/dbraw/zinc/70/98/05/483709805.db2.gz SRRKJGBADCWNNC-OUAUKWLOSA-N -1 0 353.393 -0.938 20 0 FBADRM COC(=O)C[C@H]([N-]S(=O)(=O)C[C@H](OC)[C@@H]1CCOC1)C(=O)OC ZINC000594743375 483709908 /nfs/dbraw/zinc/70/99/08/483709908.db2.gz SRRKJGBADCWNNC-VWYCJHECSA-N -1 0 353.393 -0.938 20 0 FBADRM COC(=O)CN(CCN1CCOCC1)S(=O)(=O)c1ccccc1[O-] ZINC000594755228 483710642 /nfs/dbraw/zinc/71/06/42/483710642.db2.gz TYSVICMJKCYYMI-UHFFFAOYSA-N -1 0 358.416 -0.112 20 0 FBADRM COC(=O)C1(NS(=O)(=O)c2ccccc2[O-])CCS(=O)(=O)CC1 ZINC000594762104 483710447 /nfs/dbraw/zinc/71/04/47/483710447.db2.gz YXCMEEQMZSHQKO-UHFFFAOYSA-N -1 0 363.413 -0.209 20 0 FBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1 ZINC000594768220 483710501 /nfs/dbraw/zinc/71/05/01/483710501.db2.gz SPFDWXGAVRRIDZ-GFCCVEGCSA-N -1 0 365.429 -0.567 20 0 FBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1 ZINC000594768225 483710783 /nfs/dbraw/zinc/71/07/83/483710783.db2.gz SPFDWXGAVRRIDZ-LBPRGKRZSA-N -1 0 365.429 -0.567 20 0 FBADRM CC[C@](COC)([N-]S(=O)(=O)C[C@H](OC)[C@@H]1CCOC1)C(=O)OC ZINC000594785657 483712473 /nfs/dbraw/zinc/71/24/73/483712473.db2.gz ZEONLUPZPUCSAH-MBNYWOFBSA-N -1 0 353.437 -0.075 20 0 FBADRM CC[C@](COC)([N-]S(=O)(=O)C[C@@H](OC)[C@H]1CCOC1)C(=O)OC ZINC000594785658 483712616 /nfs/dbraw/zinc/71/26/16/483712616.db2.gz ZEONLUPZPUCSAH-OUCADQQQSA-N -1 0 353.437 -0.075 20 0 FBADRM CC[C@](COC)([N-]S(=O)(=O)C[C@H](OC)[C@H]1CCOC1)C(=O)OC ZINC000594785659 483712580 /nfs/dbraw/zinc/71/25/80/483712580.db2.gz ZEONLUPZPUCSAH-SGMGOOAPSA-N -1 0 353.437 -0.075 20 0 FBADRM CC[C@](COC)([N-]S(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1)C(=O)OC ZINC000594785660 483712790 /nfs/dbraw/zinc/71/27/90/483712790.db2.gz ZEONLUPZPUCSAH-YRGRVCCFSA-N -1 0 353.437 -0.075 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CCO[C@H]1C(=O)OC ZINC000594824206 483714666 /nfs/dbraw/zinc/71/46/66/483714666.db2.gz JJKQLKGSZXFFAS-POYBYMJQSA-N -1 0 350.374 -0.462 20 0 FBADRM COC(=O)[C@@H]1OCC[C@@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000594825072 483714636 /nfs/dbraw/zinc/71/46/36/483714636.db2.gz VQBZAEQZQUVAIO-DTWKUNHWSA-N -1 0 370.343 -0.955 20 0 FBADRM COC(=O)C12CC(C1)CN2S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000594829958 483714378 /nfs/dbraw/zinc/71/43/78/483714378.db2.gz NBBRMHNXCUHZBI-UHFFFAOYSA-N -1 0 366.355 -0.238 20 0 FBADRM CC(C)(C)OC(=O)[C@@]1([N-]S(=O)(=O)CCCS(C)(=O)=O)CCOC1 ZINC000594841475 483712764 /nfs/dbraw/zinc/71/27/64/483712764.db2.gz FUAVBPVIUNOCNL-CYBMUJFWSA-N -1 0 371.477 -0.159 20 0 FBADRM CC(C)(C)OC(=O)[C@]1([N-]S(=O)(=O)CCCS(C)(=O)=O)CCOC1 ZINC000594841476 483712655 /nfs/dbraw/zinc/71/26/55/483712655.db2.gz FUAVBPVIUNOCNL-ZDUSSCGKSA-N -1 0 371.477 -0.159 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000594843977 483712724 /nfs/dbraw/zinc/71/27/24/483712724.db2.gz VWPSVQVQPDOFOA-HZMBPMFUSA-N -1 0 350.437 -0.117 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-][C@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000594843978 483712810 /nfs/dbraw/zinc/71/28/10/483712810.db2.gz VWPSVQVQPDOFOA-IINYFYTJSA-N -1 0 350.437 -0.117 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000594843979 483712692 /nfs/dbraw/zinc/71/26/92/483712692.db2.gz VWPSVQVQPDOFOA-QMTHXVAHSA-N -1 0 350.437 -0.117 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000594843980 483712595 /nfs/dbraw/zinc/71/25/95/483712595.db2.gz VWPSVQVQPDOFOA-YGRLFVJLSA-N -1 0 350.437 -0.117 20 0 FBADRM COC(=O)CCN1CCC[C@@H](Sc2n[n-]c3nc(=O)c(C)nn32)C1=O ZINC000594887260 483716641 /nfs/dbraw/zinc/71/66/41/483716641.db2.gz JXAUDEVMXGQCHU-SECBINFHSA-N -1 0 366.403 -0.233 20 0 FBADRM COC(=O)CCN1CCC[C@H](Sc2n[n-]c3nc(=O)c(C)nn32)C1=O ZINC000594887261 483716247 /nfs/dbraw/zinc/71/62/47/483716247.db2.gz JXAUDEVMXGQCHU-VIFPVBQESA-N -1 0 366.403 -0.233 20 0 FBADRM COC(=O)CCN1CC[C@@H](Sc2n[n-]c3nc(=O)c(C)nn32)C1=O ZINC000594889221 483716306 /nfs/dbraw/zinc/71/63/06/483716306.db2.gz ZXAKWARLGYFQKS-MRVPVSSYSA-N -1 0 352.376 -0.623 20 0 FBADRM COC(=O)CCN1CC[C@H](Sc2n[n-]c3nc(=O)c(C)nn32)C1=O ZINC000594889228 483716496 /nfs/dbraw/zinc/71/64/96/483716496.db2.gz ZXAKWARLGYFQKS-QMMMGPOBSA-N -1 0 352.376 -0.623 20 0 FBADRM CS[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595237296 484471397 /nfs/dbraw/zinc/47/13/97/484471397.db2.gz AFLJIBRQFJWIPN-BDAKNGLRSA-N -1 0 358.420 -0.130 20 0 FBADRM CS[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595237297 484471414 /nfs/dbraw/zinc/47/14/14/484471414.db2.gz AFLJIBRQFJWIPN-DTWKUNHWSA-N -1 0 358.420 -0.130 20 0 FBADRM CS[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595237298 484471536 /nfs/dbraw/zinc/47/15/36/484471536.db2.gz AFLJIBRQFJWIPN-IUCAKERBSA-N -1 0 358.420 -0.130 20 0 FBADRM CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595237299 484471540 /nfs/dbraw/zinc/47/15/40/484471540.db2.gz AFLJIBRQFJWIPN-RKDXNWHRSA-N -1 0 358.420 -0.130 20 0 FBADRM CCOC(=O)CC[C@H](C)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595237302 484369742 /nfs/dbraw/zinc/36/97/42/484369742.db2.gz AHAJFHITAJFQPS-JTQLQIEISA-N -1 0 368.390 0.489 20 0 FBADRM CCOC(=O)CC[C@@H](C)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595237303 484369325 /nfs/dbraw/zinc/36/93/25/484369325.db2.gz AHAJFHITAJFQPS-SNVBAGLBSA-N -1 0 368.390 0.489 20 0 FBADRM CCOC(=O)C[C@@H](C)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595237311 484370381 /nfs/dbraw/zinc/37/03/81/484370381.db2.gz AMUZUGKRJZIMHV-SECBINFHSA-N -1 0 354.363 0.099 20 0 FBADRM CCOC(=O)C[C@H](C)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595237312 484370444 /nfs/dbraw/zinc/37/04/44/484370444.db2.gz AMUZUGKRJZIMHV-VIFPVBQESA-N -1 0 354.363 0.099 20 0 FBADRM COC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1 ZINC000595237377 484278191 /nfs/dbraw/zinc/27/81/91/484278191.db2.gz CCJDNYNELTUCKO-INIZCTEOSA-N -1 0 366.374 0.053 20 0 FBADRM COC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1 ZINC000595237378 484282095 /nfs/dbraw/zinc/28/20/95/484282095.db2.gz CCJDNYNELTUCKO-MRXNPFEDSA-N -1 0 366.374 0.053 20 0 FBADRM CCOC(=O)CCN(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595237381 484369863 /nfs/dbraw/zinc/36/98/63/484369863.db2.gz CDZXADSYGXAHNO-UHFFFAOYSA-N -1 0 354.363 0.053 20 0 FBADRM COC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC000595237480 483723874 /nfs/dbraw/zinc/72/38/74/483723874.db2.gz DLPUBVDAAOSKQI-JTQLQIEISA-N -1 0 368.346 -0.958 20 0 FBADRM COC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC000595237481 483723646 /nfs/dbraw/zinc/72/36/46/483723646.db2.gz DLPUBVDAAOSKQI-SNVBAGLBSA-N -1 0 368.346 -0.958 20 0 FBADRM COC(=O)CC1(NC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CCC1 ZINC000595237492 484241318 /nfs/dbraw/zinc/24/13/18/484241318.db2.gz DSBOECNADFXGMA-UHFFFAOYSA-N -1 0 366.374 0.243 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C[C@H](C)O1 ZINC000595237496 483723593 /nfs/dbraw/zinc/72/35/93/483723593.db2.gz DZYUSSZLSXBWCR-WPRPVWTQSA-N -1 0 351.315 -0.493 20 0 FBADRM CC(C)OC(=O)CCNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595237508 484207046 /nfs/dbraw/zinc/20/70/46/484207046.db2.gz FHGYHHJQENQUGK-UHFFFAOYSA-N -1 0 354.363 0.099 20 0 FBADRM COC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1 ZINC000595237529 484278818 /nfs/dbraw/zinc/27/88/18/484278818.db2.gz FYQVFPPWFUYJHV-JTQLQIEISA-N -1 0 366.374 0.053 20 0 FBADRM COC(=O)c1n[nH]c2c1CN(C(=O)C(=O)Nc1cccnc1C(=O)[O-])CC2 ZINC000595237535 483723899 /nfs/dbraw/zinc/72/38/99/483723899.db2.gz GDLSJVAIIVFCJQ-UHFFFAOYSA-N -1 0 373.325 -0.187 20 0 FBADRM CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595237695 484208602 /nfs/dbraw/zinc/20/86/02/484208602.db2.gz HREQCRQOEOYDJV-JTQLQIEISA-N -1 0 368.390 0.345 20 0 FBADRM CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595237696 484209062 /nfs/dbraw/zinc/20/90/62/484209062.db2.gz HREQCRQOEOYDJV-SNVBAGLBSA-N -1 0 368.390 0.345 20 0 FBADRM CC(C)OC(=O)CCCNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595237720 484207306 /nfs/dbraw/zinc/20/73/06/484207306.db2.gz IKVVOMQIQVRVHS-UHFFFAOYSA-N -1 0 368.390 0.489 20 0 FBADRM COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000595237921 483723670 /nfs/dbraw/zinc/72/36/70/483723670.db2.gz KLDDAKFYDLMYKB-GXSJLCMTSA-N -1 0 351.315 -0.757 20 0 FBADRM COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000595237922 483723799 /nfs/dbraw/zinc/72/37/99/483723799.db2.gz KLDDAKFYDLMYKB-KOLCDFICSA-N -1 0 351.315 -0.757 20 0 FBADRM COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000595237923 483723616 /nfs/dbraw/zinc/72/36/16/483723616.db2.gz KLDDAKFYDLMYKB-MWLCHTKSSA-N -1 0 351.315 -0.757 20 0 FBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000595237924 483723811 /nfs/dbraw/zinc/72/38/11/483723811.db2.gz KLDDAKFYDLMYKB-ONGXEEELSA-N -1 0 351.315 -0.757 20 0 FBADRM CC(C)(C)[C@H](CCO)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595237927 484127406 /nfs/dbraw/zinc/12/74/06/484127406.db2.gz KOUXHBYLACLUDE-JTQLQIEISA-N -1 0 354.407 0.555 20 0 FBADRM CC(C)(C)[C@@H](CCO)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595237928 484127253 /nfs/dbraw/zinc/12/72/53/484127253.db2.gz KOUXHBYLACLUDE-SNVBAGLBSA-N -1 0 354.407 0.555 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CCO1 ZINC000595237932 483723907 /nfs/dbraw/zinc/72/39/07/483723907.db2.gz KRIOYSJUTSGNOK-SECBINFHSA-N -1 0 351.315 -0.491 20 0 FBADRM COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CCO1 ZINC000595237933 483723710 /nfs/dbraw/zinc/72/37/10/483723710.db2.gz KRIOYSJUTSGNOK-VIFPVBQESA-N -1 0 351.315 -0.491 20 0 FBADRM CC(C)OC(=O)[C@H](C)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595237940 484209386 /nfs/dbraw/zinc/20/93/86/484209386.db2.gz KVYRFZYWACJVOE-VIFPVBQESA-N -1 0 354.363 0.098 20 0 FBADRM COC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cn1 ZINC000595237943 483723802 /nfs/dbraw/zinc/72/38/02/483723802.db2.gz LHJSXFHWFJOCEG-SECBINFHSA-N -1 0 352.347 -0.337 20 0 FBADRM COC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC000595237944 483723930 /nfs/dbraw/zinc/72/39/30/483723930.db2.gz LHJSXFHWFJOCEG-VIFPVBQESA-N -1 0 352.347 -0.337 20 0 FBADRM COC(=O)[C@H](O)C1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1 ZINC000595237990 483723844 /nfs/dbraw/zinc/72/38/44/483723844.db2.gz MOHITLDFMNXNKQ-GFCCVEGCSA-N -1 0 365.342 -0.509 20 0 FBADRM COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1 ZINC000595237991 483723863 /nfs/dbraw/zinc/72/38/63/483723863.db2.gz MOHITLDFMNXNKQ-LBPRGKRZSA-N -1 0 365.342 -0.509 20 0 FBADRM COC(=O)C1(CNC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CC1 ZINC000595237992 484238410 /nfs/dbraw/zinc/23/84/10/484238410.db2.gz MRBBRKGGVSRFBG-UHFFFAOYSA-N -1 0 352.347 -0.289 20 0 FBADRM COC(=O)C(C)(C)n1cc(NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])cn1 ZINC000595237996 483723853 /nfs/dbraw/zinc/72/38/53/483723853.db2.gz MXKCPWUZNPWCKF-SECBINFHSA-N -1 0 354.363 -0.091 20 0 FBADRM COC(=O)C(C)(C)n1cc(NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])cn1 ZINC000595237997 483723702 /nfs/dbraw/zinc/72/37/02/483723702.db2.gz MXKCPWUZNPWCKF-VIFPVBQESA-N -1 0 354.363 -0.091 20 0 FBADRM COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000595238017 483723910 /nfs/dbraw/zinc/72/39/10/483723910.db2.gz NNMFDBCDSPVRCC-MRVPVSSYSA-N -1 0 351.315 -0.883 20 0 FBADRM COC(=O)C(C)(C)n1cc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)cn1 ZINC000595238120 483723909 /nfs/dbraw/zinc/72/39/09/483723909.db2.gz NVDSRUFNWNDDLN-JTQLQIEISA-N -1 0 354.363 -0.045 20 0 FBADRM COC(=O)C(C)(C)n1cc(NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C)cn1 ZINC000595238121 483723780 /nfs/dbraw/zinc/72/37/80/483723780.db2.gz NVDSRUFNWNDDLN-SNVBAGLBSA-N -1 0 354.363 -0.045 20 0 FBADRM CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595238132 484401110 /nfs/dbraw/zinc/40/11/10/484401110.db2.gz OFOPWIPZALOIML-SECBINFHSA-N -1 0 354.363 -0.043 20 0 FBADRM CCOC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595238133 484399665 /nfs/dbraw/zinc/39/96/65/484399665.db2.gz OFOPWIPZALOIML-VIFPVBQESA-N -1 0 354.363 -0.043 20 0 FBADRM COC(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595238162 484256128 /nfs/dbraw/zinc/25/61/28/484256128.db2.gz PABVXWUAIXVTDI-JTQLQIEISA-N -1 0 366.374 0.195 20 0 FBADRM COC(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595238163 484257700 /nfs/dbraw/zinc/25/77/00/484257700.db2.gz PABVXWUAIXVTDI-SNVBAGLBSA-N -1 0 366.374 0.195 20 0 FBADRM COC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cn1 ZINC000595238174 483723786 /nfs/dbraw/zinc/72/37/86/483723786.db2.gz PHJHNPXHOBWYAD-SNVBAGLBSA-N -1 0 352.347 -0.195 20 0 FBADRM COC(=O)C(C)(C)CCNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595238178 484232715 /nfs/dbraw/zinc/23/27/15/484232715.db2.gz PKCDZERHIQQESC-UHFFFAOYSA-N -1 0 368.390 0.347 20 0 FBADRM CCOC(=O)CCCNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595238182 484369796 /nfs/dbraw/zinc/36/97/96/484369796.db2.gz PMRFCKXYYCOKDR-UHFFFAOYSA-N -1 0 354.363 0.101 20 0 FBADRM CCOC(=O)C[C@H](C)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595238184 484370660 /nfs/dbraw/zinc/37/06/60/484370660.db2.gz PNCDKXUBVXPDOX-JTQLQIEISA-N -1 0 368.390 0.347 20 0 FBADRM COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3cccnc3C(=O)[O-])C2)nn1 ZINC000595238192 483723688 /nfs/dbraw/zinc/72/36/88/483723688.db2.gz QBVHVNRYRFJAIC-UHFFFAOYSA-N -1 0 374.313 -0.820 20 0 FBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1 ZINC000595238365 484273005 /nfs/dbraw/zinc/27/30/05/484273005.db2.gz RCZWTLRBSDDDNH-SECBINFHSA-N -1 0 352.347 -0.337 20 0 FBADRM COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1 ZINC000595238384 484279724 /nfs/dbraw/zinc/27/97/24/484279724.db2.gz RCZWTLRBSDDDNH-VIFPVBQESA-N -1 0 352.347 -0.337 20 0 FBADRM COC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595238451 484232651 /nfs/dbraw/zinc/23/26/51/484232651.db2.gz SNIQYAHRXWQNON-UHFFFAOYSA-N -1 0 354.363 -0.043 20 0 FBADRM CCOC(=O)C(C)(C)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595238455 484366613 /nfs/dbraw/zinc/36/66/13/484366613.db2.gz SPAVNDJERKPJHX-UHFFFAOYSA-N -1 0 354.363 0.099 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1C(=O)OC ZINC000595238470 483723933 /nfs/dbraw/zinc/72/39/33/483723933.db2.gz UCGQEMYMBHYYSX-SSDOTTSWSA-N -1 0 352.299 -0.212 20 0 FBADRM CCOC(=O)C1(O)CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1 ZINC000595238489 483723613 /nfs/dbraw/zinc/72/36/13/483723613.db2.gz UFSXOYTZMXRJOE-UHFFFAOYSA-N -1 0 365.342 -0.365 20 0 FBADRM COC(=O)CC1(NC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CC1 ZINC000595238495 484240761 /nfs/dbraw/zinc/24/07/61/484240761.db2.gz UKXKBGVOJCPKBQ-UHFFFAOYSA-N -1 0 352.347 -0.147 20 0 FBADRM CSC[C@@H](CCO)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595238506 484470092 /nfs/dbraw/zinc/47/00/92/484470092.db2.gz UQUFZELHTZZECQ-SECBINFHSA-N -1 0 358.420 -0.129 20 0 FBADRM CSC[C@H](CCO)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595238507 484469528 /nfs/dbraw/zinc/46/95/28/484469528.db2.gz UQUFZELHTZZECQ-VIFPVBQESA-N -1 0 358.420 -0.129 20 0 FBADRM COC(=O)Cn1ncc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)c1C ZINC000595238533 483723897 /nfs/dbraw/zinc/72/38/97/483723897.db2.gz DISXPZKFSXZYLS-UHFFFAOYSA-N -1 0 352.347 -0.326 20 0 FBADRM COC(=O)C1CCN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CC1 ZINC000595238757 484241443 /nfs/dbraw/zinc/24/14/43/484241443.db2.gz WLRBSPONLKCVHN-UHFFFAOYSA-N -1 0 366.374 0.053 20 0 FBADRM COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000595238774 483723795 /nfs/dbraw/zinc/72/37/95/483723795.db2.gz WZUYWBPNZVKSJX-SECBINFHSA-N -1 0 365.342 -0.954 20 0 FBADRM COC(=O)[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1 ZINC000595238805 484279178 /nfs/dbraw/zinc/27/91/78/484279178.db2.gz XWROJKSAJBHABD-VHSXEESVSA-N -1 0 366.374 0.099 20 0 FBADRM COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000595238810 483723769 /nfs/dbraw/zinc/72/37/69/483723769.db2.gz XYQDWXOHUOUGQR-SECBINFHSA-N -1 0 365.342 -0.493 20 0 FBADRM CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000595239256 483724394 /nfs/dbraw/zinc/72/43/94/483724394.db2.gz RVDRXXFHIKEUCD-UHFFFAOYSA-N -1 0 352.347 -0.094 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000595239448 484410403 /nfs/dbraw/zinc/41/04/03/484410403.db2.gz VYGZNNMQUAWESX-UHFFFAOYSA-N -1 0 352.347 -0.094 20 0 FBADRM COC(=O)[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1 ZINC000595240178 484280723 /nfs/dbraw/zinc/28/07/23/484280723.db2.gz BIGBJXWPWKKFPQ-MGCOHNPYSA-N -1 0 366.374 0.051 20 0 FBADRM C[S@](=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000595240568 483724167 /nfs/dbraw/zinc/72/41/67/483724167.db2.gz HTZAMHYNDRSGFF-NEKONJKSSA-N -1 0 366.395 -0.078 20 0 FBADRM C[S@@](=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000595240569 483724241 /nfs/dbraw/zinc/72/42/41/483724241.db2.gz HTZAMHYNDRSGFF-SYYNUIMISA-N -1 0 366.395 -0.078 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC000595241325 483724262 /nfs/dbraw/zinc/72/42/62/483724262.db2.gz SPYHTMRXEBCQEA-PIGZYNQJSA-N -1 0 362.338 -0.029 20 0 FBADRM COC(=O)c1ccccc1NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595241335 483724445 /nfs/dbraw/zinc/72/44/45/483724445.db2.gz UCOSWVKNNBDPAK-BMLIUANNSA-N -1 0 362.338 -0.029 20 0 FBADRM COC(=O)c1cc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1C ZINC000595241345 483724583 /nfs/dbraw/zinc/72/45/83/483724583.db2.gz UJQDOWOAIOZCTR-JDNHERCYSA-N -1 0 365.342 -0.690 20 0 FBADRM COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595241383 483724589 /nfs/dbraw/zinc/72/45/89/483724589.db2.gz VXHZDALDNHKOMM-JDNHERCYSA-N -1 0 365.342 -0.392 20 0 FBADRM COC(=O)C12CC(C1)CN2C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000595241402 484239905 /nfs/dbraw/zinc/23/99/05/484239905.db2.gz WXEKEZWXAPQCMT-UHFFFAOYSA-N -1 0 364.358 -0.195 20 0 FBADRM COC(=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000595241417 483724257 /nfs/dbraw/zinc/72/42/57/483724257.db2.gz XPWRFYUCPZYOJF-PIGZYNQJSA-N -1 0 362.338 -0.029 20 0 FBADRM CSC1(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCOCC1 ZINC000595275232 483725844 /nfs/dbraw/zinc/72/58/44/483725844.db2.gz AFODMSCICCEXKZ-BDJLRTHQSA-N -1 0 372.443 -0.426 20 0 FBADRM COC(=O)C[C@H](CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C1CC1 ZINC000595275271 483725804 /nfs/dbraw/zinc/72/58/04/483725804.db2.gz BHBNLXLYBUDTCX-PSTGCABASA-N -1 0 368.386 -0.749 20 0 FBADRM COC(=O)C[C@@H](CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C1CC1 ZINC000595275272 483725597 /nfs/dbraw/zinc/72/55/97/483725597.db2.gz BHBNLXLYBUDTCX-XWCIJXRUSA-N -1 0 368.386 -0.749 20 0 FBADRM COC(=O)C[C@H](CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1)C1CC1 ZINC000595275295 483725794 /nfs/dbraw/zinc/72/57/94/483725794.db2.gz CAWJOCDIWXTHAB-GFCCVEGCSA-N -1 0 370.402 -0.311 20 0 FBADRM COC(=O)C[C@@H](CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1)C1CC1 ZINC000595275296 483725688 /nfs/dbraw/zinc/72/56/88/483725688.db2.gz CAWJOCDIWXTHAB-LBPRGKRZSA-N -1 0 370.402 -0.311 20 0 FBADRM COC(=O)C1CCC(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000595275416 483725632 /nfs/dbraw/zinc/72/56/32/483725632.db2.gz MYEFRHQXCGYPSI-DZCHFFGYSA-N -1 0 368.386 -0.606 20 0 FBADRM CCOC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000595275506 483725838 /nfs/dbraw/zinc/72/58/38/483725838.db2.gz FXMFTISARCJEAZ-YXPOGWMNSA-N -1 0 368.386 -0.606 20 0 FBADRM COC(=O)CCN1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)[C@H](C)C1 ZINC000595275752 483725805 /nfs/dbraw/zinc/72/58/05/483725805.db2.gz HOYMVIVOSZPDQP-GFCCVEGCSA-N -1 0 369.418 -0.547 20 0 FBADRM COC(=O)CCN1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)[C@@H](C)C1 ZINC000595275753 483725592 /nfs/dbraw/zinc/72/55/92/483725592.db2.gz HOYMVIVOSZPDQP-LBPRGKRZSA-N -1 0 369.418 -0.547 20 0 FBADRM CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000595275782 483725822 /nfs/dbraw/zinc/72/58/22/483725822.db2.gz IORRCDJUFLXIKI-NEPJUHHUSA-N -1 0 370.402 -0.073 20 0 FBADRM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000595275783 483725520 /nfs/dbraw/zinc/72/55/20/483725520.db2.gz IORRCDJUFLXIKI-NWDGAFQWSA-N -1 0 370.402 -0.073 20 0 FBADRM CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000595275784 483725809 /nfs/dbraw/zinc/72/58/09/483725809.db2.gz IORRCDJUFLXIKI-RYUDHWBXSA-N -1 0 370.402 -0.073 20 0 FBADRM CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000595275785 483725738 /nfs/dbraw/zinc/72/57/38/483725738.db2.gz IORRCDJUFLXIKI-VXGBXAGGSA-N -1 0 370.402 -0.073 20 0 FBADRM CC(C)OC(=O)CCCNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595275813 483725708 /nfs/dbraw/zinc/72/57/08/483725708.db2.gz JJWRCZILEBBIJI-BDJLRTHQSA-N -1 0 356.375 -0.606 20 0 FBADRM COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)C(=O)NCCC(=O)[O-])C1 ZINC000595275815 483725530 /nfs/dbraw/zinc/72/55/30/483725530.db2.gz JLNGIVXQDOLLQH-SFYZADRCSA-N -1 0 354.281 -0.223 20 0 FBADRM COC(=O)[C@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000595276032 483725555 /nfs/dbraw/zinc/72/55/55/483725555.db2.gz JWWCISCVKNRSPW-CVXDLRIPSA-N -1 0 354.359 -0.996 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCSCC(F)(F)F)C2 ZINC000595276087 483725654 /nfs/dbraw/zinc/72/56/54/483725654.db2.gz LQKKVAZWTJJIMI-PRHODGIISA-N -1 0 370.349 -0.042 20 0 FBADRM CC(C)OC(=O)CC[C@@H](C)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595276460 483725664 /nfs/dbraw/zinc/72/56/64/483725664.db2.gz QEOPUPIUZTXBRV-PSTGCABASA-N -1 0 370.402 -0.218 20 0 FBADRM CC(C)OC(=O)CC[C@H](C)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595276462 483725616 /nfs/dbraw/zinc/72/56/16/483725616.db2.gz QEOPUPIUZTXBRV-XWCIJXRUSA-N -1 0 370.402 -0.218 20 0 FBADRM COC(=O)[C@@H]1CSCCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000595276570 483725808 /nfs/dbraw/zinc/72/58/08/483725808.db2.gz RLXKOZPTJHXLBQ-JTQLQIEISA-N -1 0 358.416 -0.278 20 0 FBADRM COC(=O)[C@H]1CSCCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000595276571 483725791 /nfs/dbraw/zinc/72/57/91/483725791.db2.gz RLXKOZPTJHXLBQ-SNVBAGLBSA-N -1 0 358.416 -0.278 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CCO1 ZINC000595276619 483725494 /nfs/dbraw/zinc/72/54/94/483725494.db2.gz ROLIUPRZPZIKFV-NWDGAFQWSA-N -1 0 358.391 -0.360 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CCO1 ZINC000595276620 483725787 /nfs/dbraw/zinc/72/57/87/483725787.db2.gz ROLIUPRZPZIKFV-RYUDHWBXSA-N -1 0 358.391 -0.360 20 0 FBADRM CCOC(=O)C[C@@H](C)CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595276674 483725601 /nfs/dbraw/zinc/72/56/01/483725601.db2.gz UCXJPHNUEDYCOC-GLKRBJQHSA-N -1 0 356.375 -0.749 20 0 FBADRM CCOC(=O)C[C@H](C)CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595276675 483725603 /nfs/dbraw/zinc/72/56/03/483725603.db2.gz UCXJPHNUEDYCOC-LYOVBCGYSA-N -1 0 356.375 -0.749 20 0 FBADRM CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595276811 483725584 /nfs/dbraw/zinc/72/55/84/483725584.db2.gz VASQJNOFIGPIEY-GLKRBJQHSA-N -1 0 356.375 -0.750 20 0 FBADRM CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595276812 483725522 /nfs/dbraw/zinc/72/55/22/483725522.db2.gz VASQJNOFIGPIEY-LYOVBCGYSA-N -1 0 356.375 -0.750 20 0 FBADRM CCOC(=O)CC[C@@H](C)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595276847 483725552 /nfs/dbraw/zinc/72/55/52/483725552.db2.gz WCXZFNYGEIBVIC-GLKRBJQHSA-N -1 0 356.375 -0.606 20 0 FBADRM CCOC(=O)CC[C@H](C)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595276848 483725534 /nfs/dbraw/zinc/72/55/34/483725534.db2.gz WCXZFNYGEIBVIC-LYOVBCGYSA-N -1 0 356.375 -0.606 20 0 FBADRM COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000595276857 483725728 /nfs/dbraw/zinc/72/57/28/483725728.db2.gz WGFQXWBYNGWGQG-UHFFFAOYSA-N -1 0 369.418 -0.547 20 0 FBADRM COC(=O)[C@H](O)C1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000595276920 483725661 /nfs/dbraw/zinc/72/56/61/483725661.db2.gz XYPJDRCBXNCXMT-LLVKDONJSA-N -1 0 356.375 -0.870 20 0 FBADRM COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000595276921 483725580 /nfs/dbraw/zinc/72/55/80/483725580.db2.gz XYPJDRCBXNCXMT-NSHDSACASA-N -1 0 356.375 -0.870 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CSCC(=O)N1CCOCC1)C2 ZINC000595280780 483726143 /nfs/dbraw/zinc/72/61/43/483726143.db2.gz IDBDIHSYDSETEW-IAQYHMDHSA-N -1 0 358.416 -0.862 20 0 FBADRM Cc1cc(NC(=O)CSCC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)no1 ZINC000595283846 484305418 /nfs/dbraw/zinc/30/54/18/484305418.db2.gz XXPYDEMDGHIZJA-MEBBXXQBSA-N -1 0 369.399 0.214 20 0 FBADRM COC(=O)C[C@@H]([N-]S(=O)(=O)C[C@@]1(OC(C)C)CCOC1)C(=O)OC ZINC000595306850 483728620 /nfs/dbraw/zinc/72/86/20/483728620.db2.gz YRXKWCRYLSKHSL-BXUZGUMPSA-N -1 0 367.420 -0.405 20 0 FBADRM COC(=O)C[C@H]([N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1)C(=O)OC ZINC000595306854 483729054 /nfs/dbraw/zinc/72/90/54/483729054.db2.gz YRXKWCRYLSKHSL-FZMZJTMJSA-N -1 0 367.420 -0.405 20 0 FBADRM COC(=O)C[C@@H]([N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1)C(=O)OC ZINC000595306856 483728874 /nfs/dbraw/zinc/72/88/74/483728874.db2.gz YRXKWCRYLSKHSL-RISCZKNCSA-N -1 0 367.420 -0.405 20 0 FBADRM COC(=O)C[C@H]([N-]S(=O)(=O)C[C@@]1(OC(C)C)CCOC1)C(=O)OC ZINC000595306857 483728821 /nfs/dbraw/zinc/72/88/21/483728821.db2.gz YRXKWCRYLSKHSL-SMDDNHRTSA-N -1 0 367.420 -0.405 20 0 FBADRM COC(=O)[C@]1([N-]S(=O)(=O)C[C@]2(OC(C)C)CCOC2)CCOC1 ZINC000595321018 483729668 /nfs/dbraw/zinc/72/96/68/483729668.db2.gz VSWZKPHPHSXQBX-KBPBESRZSA-N -1 0 351.421 -0.178 20 0 FBADRM COC(=O)[C@]1([N-]S(=O)(=O)C[C@@]2(OC(C)C)CCOC2)CCOC1 ZINC000595321019 483729447 /nfs/dbraw/zinc/72/94/47/483729447.db2.gz VSWZKPHPHSXQBX-KGLIPLIRSA-N -1 0 351.421 -0.178 20 0 FBADRM COC(=O)[C@@]1([N-]S(=O)(=O)C[C@]2(OC(C)C)CCOC2)CCOC1 ZINC000595321022 483729285 /nfs/dbraw/zinc/72/92/85/483729285.db2.gz VSWZKPHPHSXQBX-UONOGXRCSA-N -1 0 351.421 -0.178 20 0 FBADRM COC(=O)[C@@]1([N-]S(=O)(=O)C[C@@]2(OC(C)C)CCOC2)CCOC1 ZINC000595321024 483729499 /nfs/dbraw/zinc/72/94/99/483729499.db2.gz VSWZKPHPHSXQBX-ZIAGYGMSSA-N -1 0 351.421 -0.178 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCC(N)=O)c1 ZINC000595369241 483730282 /nfs/dbraw/zinc/73/02/82/483730282.db2.gz KJQDCLPHERKWMX-UHFFFAOYSA-N -1 0 351.388 -0.174 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCC(N)=O)cn1 ZINC000595369470 483730202 /nfs/dbraw/zinc/73/02/02/483730202.db2.gz VQHWIPOKTUOXEQ-UHFFFAOYSA-N -1 0 351.388 -0.174 20 0 FBADRM COC(=O)[C@H]1C[C@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000595402221 483731567 /nfs/dbraw/zinc/73/15/67/483731567.db2.gz VQRGHXNRIPMVAM-LJGSYFOKSA-N -1 0 354.344 -0.334 20 0 FBADRM COC(=O)c1cc(S(N)(=O)=O)ccc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595967463 483742511 /nfs/dbraw/zinc/74/25/11/483742511.db2.gz HNUVYLKYIDYWCI-RFAUZJTJSA-N -1 0 370.383 -0.342 20 0 FBADRM COC(=O)[C@]1(C)CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000595975013 483743101 /nfs/dbraw/zinc/74/31/01/483743101.db2.gz KYLYRGVZWYRFIJ-SSKCKEOISA-N -1 0 368.386 -0.652 20 0 FBADRM COC(=O)[C@@]1(C)CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000595975014 483743173 /nfs/dbraw/zinc/74/31/73/483743173.db2.gz KYLYRGVZWYRFIJ-ZTFRIQLXSA-N -1 0 368.386 -0.652 20 0 FBADRM COC(=O)C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595976719 483743857 /nfs/dbraw/zinc/74/38/57/483743857.db2.gz ROSBDBXCGSKCIV-GLKRBJQHSA-N -1 0 354.359 -0.900 20 0 FBADRM COC(=O)C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595976720 483743530 /nfs/dbraw/zinc/74/35/30/483743530.db2.gz ROSBDBXCGSKCIV-OHUAYANFSA-N -1 0 354.359 -0.900 20 0 FBADRM CCOC(=O)C1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000595976839 483743782 /nfs/dbraw/zinc/74/37/82/483743782.db2.gz BENFUJGFHTUMAA-SJKOYZFVSA-N -1 0 368.386 -0.652 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CCO1 ZINC000595977158 483743559 /nfs/dbraw/zinc/74/35/59/483743559.db2.gz FZKLBPFGHSVMGA-CYBMUJFWSA-N -1 0 370.402 -0.120 20 0 FBADRM COC(=O)C[C@H]1CN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CCO1 ZINC000595977160 483743507 /nfs/dbraw/zinc/74/35/07/483743507.db2.gz FZKLBPFGHSVMGA-ZDUSSCGKSA-N -1 0 370.402 -0.120 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CCO1 ZINC000595977272 483743488 /nfs/dbraw/zinc/74/34/88/483743488.db2.gz HDKDGDISSGWUCT-GFCCVEGCSA-N -1 0 356.375 -0.510 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CCO1 ZINC000595977287 483743951 /nfs/dbraw/zinc/74/39/51/483743951.db2.gz HDKDGDISSGWUCT-LBPRGKRZSA-N -1 0 356.375 -0.510 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000595977415 483743591 /nfs/dbraw/zinc/74/35/91/483743591.db2.gz IGORJRQJCWHBLL-PSTGCABASA-N -1 0 368.386 -0.652 20 0 FBADRM CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000595977416 483743682 /nfs/dbraw/zinc/74/36/82/483743682.db2.gz IGORJRQJCWHBLL-XWCIJXRUSA-N -1 0 368.386 -0.652 20 0 FBADRM COC(=O)CC1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000595977483 483743686 /nfs/dbraw/zinc/74/36/86/483743686.db2.gz KXBWYRORBPEFDR-SJKOYZFVSA-N -1 0 368.386 -0.652 20 0 FBADRM COC(=O)c1cc(S(N)(=O)=O)ccc1N[C@@H]1C[C@H](C(=O)[O-])C[C@@H]1O ZINC000595979948 483744517 /nfs/dbraw/zinc/74/45/17/483744517.db2.gz VWZKBAUKNNYNGI-BPTDKIDVSA-N -1 0 358.372 -0.243 20 0 FBADRM COC(=O)c1cc(S(N)(=O)=O)ccc1N[C@@H]1C[C@@H](C(=O)[O-])C[C@@H]1O ZINC000595979950 483744296 /nfs/dbraw/zinc/74/42/96/483744296.db2.gz VWZKBAUKNNYNGI-HFKOZYHYSA-N -1 0 358.372 -0.243 20 0 FBADRM COC(=O)c1cc(S(N)(=O)=O)ccc1N[C@@H]1C[C@@H](C(=O)[O-])C[C@H]1O ZINC000595979952 483744499 /nfs/dbraw/zinc/74/44/99/483744499.db2.gz VWZKBAUKNNYNGI-NZXMKCKXSA-N -1 0 358.372 -0.243 20 0 FBADRM COC(=O)c1cc(S(N)(=O)=O)ccc1N[C@@H]1C[C@H](C(=O)[O-])C[C@H]1O ZINC000595979954 483744411 /nfs/dbraw/zinc/74/44/11/483744411.db2.gz VWZKBAUKNNYNGI-UPZJHPNMSA-N -1 0 358.372 -0.243 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)[C@@](C)(OC)C(=O)[O-])C1 ZINC000595984206 483745868 /nfs/dbraw/zinc/74/58/68/483745868.db2.gz ARWPSKCPDVXZGB-BDJLRTHQSA-N -1 0 358.391 -0.264 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)[C@](C)(OC)C(=O)[O-])C1 ZINC000595984207 483745342 /nfs/dbraw/zinc/74/53/42/483745342.db2.gz ARWPSKCPDVXZGB-BZNIZROVSA-N -1 0 358.391 -0.264 20 0 FBADRM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)[C@@](C)(OC)C(=O)[O-])C1 ZINC000595984208 483745639 /nfs/dbraw/zinc/74/56/39/483745639.db2.gz ARWPSKCPDVXZGB-MEDUHNTESA-N -1 0 358.391 -0.264 20 0 FBADRM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)[C@](C)(OC)C(=O)[O-])C1 ZINC000595984209 483745566 /nfs/dbraw/zinc/74/55/66/483745566.db2.gz ARWPSKCPDVXZGB-ZBEGNZNMSA-N -1 0 358.391 -0.264 20 0 FBADRM Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCOC[C@@H]2C(=O)[O-])no1 ZINC000595985293 484337237 /nfs/dbraw/zinc/33/72/37/484337237.db2.gz GIXVQENUYVJKON-NXEZZACHSA-N -1 0 357.388 0.355 20 0 FBADRM Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCOC[C@H]2C(=O)[O-])no1 ZINC000595985296 484344752 /nfs/dbraw/zinc/34/47/52/484344752.db2.gz GIXVQENUYVJKON-UWVGGRQHSA-N -1 0 357.388 0.355 20 0 FBADRM Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCOC[C@@H]2C(=O)[O-])no1 ZINC000595985298 484345595 /nfs/dbraw/zinc/34/55/95/484345595.db2.gz GIXVQENUYVJKON-VHSXEESVSA-N -1 0 357.388 0.355 20 0 FBADRM Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCOC[C@H]2C(=O)[O-])no1 ZINC000595985299 484337015 /nfs/dbraw/zinc/33/70/15/484337015.db2.gz GIXVQENUYVJKON-ZJUUUORDSA-N -1 0 357.388 0.355 20 0 FBADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@@H]1C ZINC000595986512 483745496 /nfs/dbraw/zinc/74/54/96/483745496.db2.gz KEQMLAHSODASQG-SHFDMQKMSA-N -1 0 368.386 -0.796 20 0 FBADRM CCOC(=O)C1CCN(C(=O)CN(C)C(=O)[C@](C)(OC)C(=O)[O-])CC1 ZINC000595987055 483745597 /nfs/dbraw/zinc/74/55/97/483745597.db2.gz SYMIPPYWZWFSAG-INIZCTEOSA-N -1 0 358.391 -0.264 20 0 FBADRM CCOC(=O)C1CCN(C(=O)CN(C)C(=O)[C@@](C)(OC)C(=O)[O-])CC1 ZINC000595987057 483745494 /nfs/dbraw/zinc/74/54/94/483745494.db2.gz SYMIPPYWZWFSAG-MRXNPFEDSA-N -1 0 358.391 -0.264 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)C[C@H](C)O1 ZINC000595992278 483746737 /nfs/dbraw/zinc/74/67/37/483746737.db2.gz RYIPHXUWAJKVPC-AAEUAGOBSA-N -1 0 370.402 -0.121 20 0 FBADRM COC(=O)CNC(=O)Cc1ccc(NC(=O)[C@](C)(OC)C(=O)[O-])cc1 ZINC000595992516 483747137 /nfs/dbraw/zinc/74/71/37/483747137.db2.gz AUPZPBUULJGJBG-INIZCTEOSA-N -1 0 352.343 -0.054 20 0 FBADRM COC(=O)CNC(=O)Cc1ccc(NC(=O)[C@@](C)(OC)C(=O)[O-])cc1 ZINC000595992517 483746911 /nfs/dbraw/zinc/74/69/11/483746911.db2.gz AUPZPBUULJGJBG-MRXNPFEDSA-N -1 0 352.343 -0.054 20 0 FBADRM COC(=O)CNS(=O)(=O)c1cccc(NC(=O)[C@](C)(OC)C(=O)[O-])c1 ZINC000595996107 483747573 /nfs/dbraw/zinc/74/75/73/483747573.db2.gz WPNAAVOWXIQUDF-AWEZNQCLSA-N -1 0 374.371 -0.434 20 0 FBADRM COC(=O)CNS(=O)(=O)c1cccc(NC(=O)[C@@](C)(OC)C(=O)[O-])c1 ZINC000595996109 483747432 /nfs/dbraw/zinc/74/74/32/483747432.db2.gz WPNAAVOWXIQUDF-CQSZACIVSA-N -1 0 374.371 -0.434 20 0 FBADRM Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@]2(C(=O)[O-])CCOC2)no1 ZINC000595998690 484348163 /nfs/dbraw/zinc/34/81/63/484348163.db2.gz VIOJTZIMZRBLTI-LKFCYVNXSA-N -1 0 357.388 0.403 20 0 FBADRM Cc1cc(NC(=O)[C@@H](C)SCC(=O)N[C@@]2(C(=O)[O-])CCOC2)no1 ZINC000595998691 484339591 /nfs/dbraw/zinc/33/95/91/484339591.db2.gz VIOJTZIMZRBLTI-OTYXRUKQSA-N -1 0 357.388 0.403 20 0 FBADRM Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@@]2(C(=O)[O-])CCOC2)no1 ZINC000595998692 484348561 /nfs/dbraw/zinc/34/85/61/484348561.db2.gz VIOJTZIMZRBLTI-XPTSAGLGSA-N -1 0 357.388 0.403 20 0 FBADRM Cc1cc(NC(=O)[C@@H](C)SCC(=O)N[C@]2(C(=O)[O-])CCOC2)no1 ZINC000595998693 484339302 /nfs/dbraw/zinc/33/93/02/484339302.db2.gz VIOJTZIMZRBLTI-YMTOWFKASA-N -1 0 357.388 0.403 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000595999575 483747317 /nfs/dbraw/zinc/74/73/17/483747317.db2.gz OFLGDJZCPGNDQZ-GFCCVEGCSA-N -1 0 350.327 -0.346 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000595999576 483747595 /nfs/dbraw/zinc/74/75/95/483747595.db2.gz OFLGDJZCPGNDQZ-LBPRGKRZSA-N -1 0 350.327 -0.346 20 0 FBADRM Cc1cc(NC(=O)CSCC(=O)NC2(C(=O)[O-])CCOCC2)no1 ZINC000596000177 484306758 /nfs/dbraw/zinc/30/67/58/484306758.db2.gz RIRUJFFLBKLCBI-UHFFFAOYSA-N -1 0 357.388 0.405 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000596000457 483743013 /nfs/dbraw/zinc/74/30/13/483743013.db2.gz XVTJNPGZOGJHDY-GFCCVEGCSA-N -1 0 350.327 -0.346 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000596000458 483742957 /nfs/dbraw/zinc/74/29/57/483742957.db2.gz XVTJNPGZOGJHDY-LBPRGKRZSA-N -1 0 350.327 -0.346 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)CSCC(=O)N2CCOCC2)n1 ZINC000596000980 484114068 /nfs/dbraw/zinc/11/40/68/484114068.db2.gz XVXLGCBXNYKMOC-UHFFFAOYSA-N -1 0 370.431 0.233 20 0 FBADRM Cc1cc(NC(=O)[C@@H](C)SCC(=O)N=c2ccn(CC(=O)[O-])[nH]2)no1 ZINC000596003524 483743150 /nfs/dbraw/zinc/74/31/50/483743150.db2.gz RUSPTPPDQIGATK-SECBINFHSA-N -1 0 367.387 -0.193 20 0 FBADRM Cc1cc(NC(=O)[C@H](C)SCC(=O)N=c2ccn(CC(=O)[O-])[nH]2)no1 ZINC000596003527 483743141 /nfs/dbraw/zinc/74/31/41/483743141.db2.gz RUSPTPPDQIGATK-VIFPVBQESA-N -1 0 367.387 -0.193 20 0 FBADRM CCOC(=O)Cn1[n-]c(C)c(C(=O)Nc2nc3nc(C)cc(C)n3n2)c1=O ZINC000596007883 484369825 /nfs/dbraw/zinc/36/98/25/484369825.db2.gz DLFZTNQAKDWIFI-GFCCVEGCSA-N -1 0 373.373 0.077 20 0 FBADRM CCOC(=O)Cn1[n-]c(C)c(C(=O)Nc2nc3nc(C)cc(C)n3n2)c1=O ZINC000596007885 484369869 /nfs/dbraw/zinc/36/98/69/484369869.db2.gz DLFZTNQAKDWIFI-LBPRGKRZSA-N -1 0 373.373 0.077 20 0 FBADRM CCOC(=O)Cn1[n-]c(C)c(C(=O)NC2CCN(C(C)=O)CC2)c1=O ZINC000596008308 483743091 /nfs/dbraw/zinc/74/30/91/483743091.db2.gz GNLBBURQQCJRAO-AWEZNQCLSA-N -1 0 352.391 -0.489 20 0 FBADRM CCOC(=O)Cn1[n-]c(C)c(C(=O)NC2CCN(C(C)=O)CC2)c1=O ZINC000596008310 483743151 /nfs/dbraw/zinc/74/31/51/483743151.db2.gz GNLBBURQQCJRAO-CQSZACIVSA-N -1 0 352.391 -0.489 20 0 FBADRM CCOC(=O)Cn1[n-]c(C)c(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)c1=O ZINC000596011468 483743196 /nfs/dbraw/zinc/74/31/96/483743196.db2.gz YFLVSUXPZWENLN-CYBMUJFWSA-N -1 0 372.337 -0.094 20 0 FBADRM CCOC(=O)Cn1[n-]c(C)c(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)c1=O ZINC000596011469 483743143 /nfs/dbraw/zinc/74/31/43/483743143.db2.gz YFLVSUXPZWENLN-ZDUSSCGKSA-N -1 0 372.337 -0.094 20 0 FBADRM CCOC(=O)Cn1[n-]c(C)c(C(=O)Nc2cnn(CCOC)c2)c1=O ZINC000596011482 483743163 /nfs/dbraw/zinc/74/31/63/483743163.db2.gz YVISMAWLCFGSCS-CYBMUJFWSA-N -1 0 351.363 -0.135 20 0 FBADRM CCOC(=O)Cn1[n-]c(C)c(C(=O)Nc2cnn(CCOC)c2)c1=O ZINC000596011483 483743129 /nfs/dbraw/zinc/74/31/29/483743129.db2.gz YVISMAWLCFGSCS-ZDUSSCGKSA-N -1 0 351.363 -0.135 20 0 FBADRM CCOC(=O)CC[C@@]1(C)NC(=O)N([C@H]2CCN(CC(=O)[O-])C2=O)C1=O ZINC000596014205 483748396 /nfs/dbraw/zinc/74/83/96/483748396.db2.gz SHYOIKLWPAIIGP-BJOHPYRUSA-N -1 0 355.347 -0.674 20 0 FBADRM CCOC(=O)CC[C@]1(C)NC(=O)N([C@@H]2CCN(CC(=O)[O-])C2=O)C1=O ZINC000596014207 483748319 /nfs/dbraw/zinc/74/83/19/483748319.db2.gz SHYOIKLWPAIIGP-PSLIRLAXSA-N -1 0 355.347 -0.674 20 0 FBADRM CCOC(=O)CC[C@@]1(C)NC(=O)N([C@@H]2CCN(CC(=O)[O-])C2=O)C1=O ZINC000596014208 483747980 /nfs/dbraw/zinc/74/79/80/483747980.db2.gz SHYOIKLWPAIIGP-RFAUZJTJSA-N -1 0 355.347 -0.674 20 0 FBADRM CCOC(=O)CC[C@]1(C)NC(=O)N([C@H]2CCN(CC(=O)[O-])C2=O)C1=O ZINC000596014209 483748380 /nfs/dbraw/zinc/74/83/80/483748380.db2.gz SHYOIKLWPAIIGP-VFZGTOFNSA-N -1 0 355.347 -0.674 20 0 FBADRM COC(=O)CCCCCS(=O)(=O)N1Cc2nnc(C)n2C[C@@H]1C(=O)[O-] ZINC000596023149 483747808 /nfs/dbraw/zinc/74/78/08/483747808.db2.gz KDYUMILGZQMXDQ-LLVKDONJSA-N -1 0 374.419 -0.081 20 0 FBADRM COC(=O)CCCCCS(=O)(=O)N1Cc2nnc(C)n2C[C@H]1C(=O)[O-] ZINC000596023150 483747503 /nfs/dbraw/zinc/74/75/03/483747503.db2.gz KDYUMILGZQMXDQ-NSHDSACASA-N -1 0 374.419 -0.081 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)[O-])CCC1 ZINC000596024535 483747842 /nfs/dbraw/zinc/74/78/42/483747842.db2.gz RVCPEXKUYVMHLD-JTQLQIEISA-N -1 0 372.403 -0.472 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N2Cc3nnc(C)n3C[C@@H]2C(=O)[O-])CCC1 ZINC000596024536 483747550 /nfs/dbraw/zinc/74/75/50/483747550.db2.gz RVCPEXKUYVMHLD-SNVBAGLBSA-N -1 0 372.403 -0.472 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cc1C ZINC000596035627 483747715 /nfs/dbraw/zinc/74/77/15/483747715.db2.gz QHPMVWLOSLINBO-UHFFFAOYSA-N -1 0 358.332 -0.357 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cc1C ZINC000596035633 483747402 /nfs/dbraw/zinc/74/74/02/483747402.db2.gz QOMOVJCRBYAZED-UHFFFAOYSA-N -1 0 358.332 -0.471 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)cc1C ZINC000596035977 483747309 /nfs/dbraw/zinc/74/73/09/483747309.db2.gz UHQUEPANKRGBRC-SECBINFHSA-N -1 0 374.371 -0.414 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)cc1C ZINC000596035980 483747774 /nfs/dbraw/zinc/74/77/74/483747774.db2.gz UHQUEPANKRGBRC-VIFPVBQESA-N -1 0 374.371 -0.414 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])cc1C ZINC000596036053 483747467 /nfs/dbraw/zinc/74/74/67/483747467.db2.gz WKOZLMUNDWUVJB-CWMRNNLJSA-N -1 0 365.385 -0.419 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])cc1C ZINC000596036054 483747621 /nfs/dbraw/zinc/74/76/21/483747621.db2.gz WKOZLMUNDWUVJB-PJLCYMMNSA-N -1 0 365.385 -0.419 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])cc1C ZINC000596036055 483747474 /nfs/dbraw/zinc/74/74/74/483747474.db2.gz WKOZLMUNDWUVJB-QSIZCVBASA-N -1 0 365.385 -0.419 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])cc1C ZINC000596036056 483747711 /nfs/dbraw/zinc/74/77/11/483747711.db2.gz WKOZLMUNDWUVJB-ZCAPAMDOSA-N -1 0 365.385 -0.419 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CC2(CCOCC2)[C@@H]1C(=O)[O-] ZINC000596036231 483747455 /nfs/dbraw/zinc/74/74/55/483747455.db2.gz ZVCPWQLPINXPHO-JTQLQIEISA-N -1 0 373.387 -0.159 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CC2(CCOCC2)[C@H]1C(=O)[O-] ZINC000596036233 483747490 /nfs/dbraw/zinc/74/74/90/483747490.db2.gz ZVCPWQLPINXPHO-SNVBAGLBSA-N -1 0 373.387 -0.159 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)cc1C ZINC000596036291 483747428 /nfs/dbraw/zinc/74/74/28/483747428.db2.gz XERJVOUKEOUNRW-BDAKNGLRSA-N -1 0 374.371 -0.286 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)cc1C ZINC000596036294 483747722 /nfs/dbraw/zinc/74/77/22/483747722.db2.gz XERJVOUKEOUNRW-DTWKUNHWSA-N -1 0 374.371 -0.286 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)cc1C ZINC000596036296 483747851 /nfs/dbraw/zinc/74/78/51/483747851.db2.gz XERJVOUKEOUNRW-IUCAKERBSA-N -1 0 374.371 -0.286 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)cc1C ZINC000596036299 483747575 /nfs/dbraw/zinc/74/75/75/483747575.db2.gz XERJVOUKEOUNRW-RKDXNWHRSA-N -1 0 374.371 -0.286 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N1CC2(CCOCC2)[C@H]1C(=O)[O-] ZINC000596040333 483747469 /nfs/dbraw/zinc/74/74/69/483747469.db2.gz UUSIVIBNKVDRDR-LLVKDONJSA-N -1 0 350.393 -0.708 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N1CC2(CCOCC2)[C@@H]1C(=O)[O-] ZINC000596040338 483747332 /nfs/dbraw/zinc/74/73/32/483747332.db2.gz UUSIVIBNKVDRDR-NSHDSACASA-N -1 0 350.393 -0.708 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C)c(C(=O)OC)o2)n1 ZINC000596043978 483747748 /nfs/dbraw/zinc/74/77/48/483747748.db2.gz LGOQROGMCJKMFY-UHFFFAOYSA-N -1 0 358.332 -0.060 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)cc1C ZINC000596044718 483747335 /nfs/dbraw/zinc/74/73/35/483747335.db2.gz SKVZIRZYTZHPSF-UHFFFAOYSA-N -1 0 371.375 -0.145 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C)c(C(=O)OC)o2)n1 ZINC000596044723 483747833 /nfs/dbraw/zinc/74/78/33/483747833.db2.gz SRBRZSYXCHRYFP-UHFFFAOYSA-N -1 0 357.348 -0.487 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccnc(OCCO)c2)cn1 ZINC000596051650 483748348 /nfs/dbraw/zinc/74/83/48/483748348.db2.gz LNPSSKNVDSJMNJ-UHFFFAOYSA-N -1 0 356.360 -0.377 20 0 FBADRM COC(=O)Cn1ncc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1C ZINC000596126063 483748852 /nfs/dbraw/zinc/74/88/52/483748852.db2.gz IFZBVWJCIIQTOT-LLVKDONJSA-N -1 0 366.374 -0.080 20 0 FBADRM COC(=O)Cn1ncc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)c1C ZINC000596126064 483748923 /nfs/dbraw/zinc/74/89/23/483748923.db2.gz IFZBVWJCIIQTOT-NSHDSACASA-N -1 0 366.374 -0.080 20 0 FBADRM COC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000596126243 483749046 /nfs/dbraw/zinc/74/90/46/483749046.db2.gz LATQKVACGNZONV-SECBINFHSA-N -1 0 352.347 -0.238 20 0 FBADRM COC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000596126244 483748782 /nfs/dbraw/zinc/74/87/82/483748782.db2.gz LATQKVACGNZONV-VIFPVBQESA-N -1 0 352.347 -0.238 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000596126620 484410771 /nfs/dbraw/zinc/41/07/71/484410771.db2.gz NBBQZNXSSXTJIJ-JTQLQIEISA-N -1 0 366.374 0.152 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000596126621 484410158 /nfs/dbraw/zinc/41/01/58/484410158.db2.gz NBBQZNXSSXTJIJ-SNVBAGLBSA-N -1 0 366.374 0.152 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C[C@H](C)O1 ZINC000596129343 483748647 /nfs/dbraw/zinc/74/86/47/483748647.db2.gz HSGVLUWQOTZBTN-DLOVCJGASA-N -1 0 356.375 -0.608 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C[C@H](C)O1 ZINC000596129344 483748794 /nfs/dbraw/zinc/74/87/94/483748794.db2.gz HSGVLUWQOTZBTN-WCQGTBRESA-N -1 0 356.375 -0.608 20 0 FBADRM COC(=O)[C@H](O)C1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000596130165 483748662 /nfs/dbraw/zinc/74/86/62/483748662.db2.gz MRROWLNIPZAGBO-CHWSQXEVSA-N -1 0 370.402 -0.624 20 0 FBADRM COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000596130176 483748731 /nfs/dbraw/zinc/74/87/31/483748731.db2.gz MRROWLNIPZAGBO-OLZOCXBDSA-N -1 0 370.402 -0.624 20 0 FBADRM COC(=O)[C@H](O)C1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000596130177 483749044 /nfs/dbraw/zinc/74/90/44/483749044.db2.gz MRROWLNIPZAGBO-QWHCGFSZSA-N -1 0 370.402 -0.624 20 0 FBADRM COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000596130179 483748968 /nfs/dbraw/zinc/74/89/68/483748968.db2.gz MRROWLNIPZAGBO-STQMWFEESA-N -1 0 370.402 -0.624 20 0 FBADRM COC(=O)[C@H]1CSCCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000596130357 483748704 /nfs/dbraw/zinc/74/87/04/483748704.db2.gz PMTWPPYKJHEBKL-NEPJUHHUSA-N -1 0 372.443 -0.032 20 0 FBADRM COC(=O)[C@@H]1CSCCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000596130358 483748817 /nfs/dbraw/zinc/74/88/17/483748817.db2.gz PMTWPPYKJHEBKL-NWDGAFQWSA-N -1 0 372.443 -0.032 20 0 FBADRM COC(=O)[C@@H]1CSCCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000596130359 483748631 /nfs/dbraw/zinc/74/86/31/483748631.db2.gz PMTWPPYKJHEBKL-RYUDHWBXSA-N -1 0 372.443 -0.032 20 0 FBADRM COC(=O)[C@H]1CSCCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000596130360 483748621 /nfs/dbraw/zinc/74/86/21/483748621.db2.gz PMTWPPYKJHEBKL-VXGBXAGGSA-N -1 0 372.443 -0.032 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CCO1 ZINC000596130564 483748953 /nfs/dbraw/zinc/74/89/53/483748953.db2.gz RRBPWXZOQHRBJC-NEPJUHHUSA-N -1 0 356.375 -0.606 20 0 FBADRM COC(=O)C[C@H]1CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CCO1 ZINC000596130565 483748712 /nfs/dbraw/zinc/74/87/12/483748712.db2.gz RRBPWXZOQHRBJC-NWDGAFQWSA-N -1 0 356.375 -0.606 20 0 FBADRM COC(=O)C[C@H]1CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CCO1 ZINC000596130566 483748629 /nfs/dbraw/zinc/74/86/29/483748629.db2.gz RRBPWXZOQHRBJC-RYUDHWBXSA-N -1 0 356.375 -0.606 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CCO1 ZINC000596130567 483748902 /nfs/dbraw/zinc/74/89/02/483748902.db2.gz RRBPWXZOQHRBJC-VXGBXAGGSA-N -1 0 356.375 -0.606 20 0 FBADRM Cc1nnc2n1C[C@H](CNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)CC2 ZINC000596132763 483748874 /nfs/dbraw/zinc/74/88/74/483748874.db2.gz PQWKBEWOLFQKEP-AAEUAGOBSA-N -1 0 363.418 -0.118 20 0 FBADRM Cc1nnc2n1C[C@@H](CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)CC2 ZINC000596132764 483748616 /nfs/dbraw/zinc/74/86/16/483748616.db2.gz PQWKBEWOLFQKEP-DGCLKSJQSA-N -1 0 363.418 -0.118 20 0 FBADRM Cc1nnc2n1C[C@H](CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)CC2 ZINC000596132765 483748690 /nfs/dbraw/zinc/74/86/90/483748690.db2.gz PQWKBEWOLFQKEP-WCQYABFASA-N -1 0 363.418 -0.118 20 0 FBADRM Cc1nnc2n1C[C@@H](CNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)CC2 ZINC000596132766 483748653 /nfs/dbraw/zinc/74/86/53/483748653.db2.gz PQWKBEWOLFQKEP-YPMHNXCESA-N -1 0 363.418 -0.118 20 0 FBADRM CCOC(=O)c1n[nH]c(C2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)n1 ZINC000596213107 483749327 /nfs/dbraw/zinc/74/93/27/483749327.db2.gz RXXWYFRAJPJBRP-UHFFFAOYSA-N -1 0 362.390 -0.237 20 0 FBADRM CCNC(=O)CNC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O ZINC000596561070 483752391 /nfs/dbraw/zinc/75/23/91/483752391.db2.gz YHVDSEDUBPPCRL-UHFFFAOYSA-N -1 0 356.404 -0.118 20 0 FBADRM CNC(=O)CCNC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O ZINC000596562054 483752337 /nfs/dbraw/zinc/75/23/37/483752337.db2.gz MEBIBFNIVQTURD-UHFFFAOYSA-N -1 0 356.404 -0.118 20 0 FBADRM CCOC(=O)C(NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(=O)OCC ZINC000596690236 483754349 /nfs/dbraw/zinc/75/43/49/483754349.db2.gz PQBIUELBGFGUEU-UHFFFAOYSA-N -1 0 374.371 -0.736 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000596779213 483755166 /nfs/dbraw/zinc/75/51/66/483755166.db2.gz UBXQDVLXNKJWNY-LLVKDONJSA-N -1 0 360.326 -0.466 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000596779214 483755376 /nfs/dbraw/zinc/75/53/76/483755376.db2.gz UBXQDVLXNKJWNY-NSHDSACASA-N -1 0 360.326 -0.466 20 0 FBADRM COC(=O)c1ccc(=NC(=O)N=c2ccn(C(C)(C)C(=O)OC)[nH]2)[n-]n1 ZINC000596888428 483755764 /nfs/dbraw/zinc/75/57/64/483755764.db2.gz AXHSJELZVSGTRU-UHFFFAOYSA-N -1 0 362.346 -0.144 20 0 FBADRM CCOC(=O)Cn1cnc(=NC(=O)N=c2ccn(C3CCOCC3)[nH]2)[n-]1 ZINC000596931688 483756522 /nfs/dbraw/zinc/75/65/22/483756522.db2.gz AWVFLUJWLQOJRI-UHFFFAOYSA-N -1 0 363.378 -0.123 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC000597062112 483758252 /nfs/dbraw/zinc/75/82/52/483758252.db2.gz DAKLOJCDMVYPNW-LLVKDONJSA-N -1 0 352.391 -0.001 20 0 FBADRM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC000597062114 483758387 /nfs/dbraw/zinc/75/83/87/483758387.db2.gz DAKLOJCDMVYPNW-NSHDSACASA-N -1 0 352.391 -0.001 20 0 FBADRM CCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC000597067630 483758676 /nfs/dbraw/zinc/75/86/76/483758676.db2.gz YOEGFTYQOHYLIZ-UHFFFAOYSA-N -1 0 352.391 -0.001 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000597159757 483760421 /nfs/dbraw/zinc/76/04/21/483760421.db2.gz SBGGEHYCUNVABS-UHFFFAOYSA-N -1 0 354.450 -0.685 20 0 FBADRM COC(=O)CN(CCN1CCOCC1)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000597187225 483761034 /nfs/dbraw/zinc/76/10/34/483761034.db2.gz MNYSTXWIYFJQJV-UHFFFAOYSA-N -1 0 364.358 -0.124 20 0 FBADRM Cc1nnc2n1C[C@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-])CC2 ZINC000597264845 483761084 /nfs/dbraw/zinc/76/10/84/483761084.db2.gz FDGRGHXLLUTRIR-JTQLQIEISA-N -1 0 365.415 -0.068 20 0 FBADRM Cc1nnc2n1C[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-])CC2 ZINC000597264846 483761318 /nfs/dbraw/zinc/76/13/18/483761318.db2.gz FDGRGHXLLUTRIR-SNVBAGLBSA-N -1 0 365.415 -0.068 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCO1 ZINC000597347042 483762903 /nfs/dbraw/zinc/76/29/03/483762903.db2.gz IBJUDOTVVJZYKK-SECBINFHSA-N -1 0 358.372 -0.556 20 0 FBADRM COC(=O)C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCO1 ZINC000597347046 483762623 /nfs/dbraw/zinc/76/26/23/483762623.db2.gz IBJUDOTVVJZYKK-VIFPVBQESA-N -1 0 358.372 -0.556 20 0 FBADRM COC(=O)CC1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCOCC1 ZINC000597351335 483762284 /nfs/dbraw/zinc/76/22/84/483762284.db2.gz VCTKMJZEZPQMOP-UHFFFAOYSA-N -1 0 372.399 -0.118 20 0 FBADRM COC[C@](C)(CC(=O)OC)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597358123 483763294 /nfs/dbraw/zinc/76/32/94/483763294.db2.gz YHEBLKUWEFZHRN-AWEZNQCLSA-N -1 0 360.388 -0.262 20 0 FBADRM COC[C@@](C)(CC(=O)OC)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597358124 483763115 /nfs/dbraw/zinc/76/31/15/483763115.db2.gz YHEBLKUWEFZHRN-CQSZACIVSA-N -1 0 360.388 -0.262 20 0 FBADRM CCOC[C@H](C(=O)OC)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597379982 483763721 /nfs/dbraw/zinc/76/37/21/483763721.db2.gz VPQYVGHJBVGCDS-LLVKDONJSA-N -1 0 360.388 -0.310 20 0 FBADRM CCOC[C@@H](C(=O)OC)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597379984 483763728 /nfs/dbraw/zinc/76/37/28/483763728.db2.gz VPQYVGHJBVGCDS-NSHDSACASA-N -1 0 360.388 -0.310 20 0 FBADRM COC(=O)[C@@]1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCSC1 ZINC000597450264 483764826 /nfs/dbraw/zinc/76/48/26/483764826.db2.gz VDVWZUBYAKKMOS-CYBMUJFWSA-N -1 0 360.413 -0.182 20 0 FBADRM COC(=O)[C@]1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCSC1 ZINC000597450265 483764758 /nfs/dbraw/zinc/76/47/58/483764758.db2.gz VDVWZUBYAKKMOS-ZDUSSCGKSA-N -1 0 360.413 -0.182 20 0 FBADRM COC(=O)[C@@H](CC(F)F)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597454584 483765388 /nfs/dbraw/zinc/76/53/88/483765388.db2.gz CQPMLUIZZCPEGO-MRVPVSSYSA-N -1 0 352.315 -0.034 20 0 FBADRM COC(=O)[C@H](CC(F)F)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597454587 483765252 /nfs/dbraw/zinc/76/52/52/483765252.db2.gz CQPMLUIZZCPEGO-QMMMGPOBSA-N -1 0 352.315 -0.034 20 0 FBADRM COC(=O)C1(CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCOCC1 ZINC000597497903 483766447 /nfs/dbraw/zinc/76/64/47/483766447.db2.gz NMQPZLWXGHVSOJ-UHFFFAOYSA-N -1 0 372.399 -0.261 20 0 FBADRM CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597509325 483765723 /nfs/dbraw/zinc/76/57/23/483765723.db2.gz FNPHPEUVMYTHGE-HNNXBMFYSA-N -1 0 374.415 -0.138 20 0 FBADRM CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597509326 483765978 /nfs/dbraw/zinc/76/59/78/483765978.db2.gz FNPHPEUVMYTHGE-OAHLLOKOSA-N -1 0 374.415 -0.138 20 0 FBADRM COC(=O)C[C@@]1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCOC1 ZINC000597517636 483766240 /nfs/dbraw/zinc/76/62/40/483766240.db2.gz OHTJZVSJGJXYBY-AWEZNQCLSA-N -1 0 358.372 -0.508 20 0 FBADRM COC(=O)C[C@]1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCOC1 ZINC000597517637 483766410 /nfs/dbraw/zinc/76/64/10/483766410.db2.gz OHTJZVSJGJXYBY-CQSZACIVSA-N -1 0 358.372 -0.508 20 0 FBADRM COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597542287 483766234 /nfs/dbraw/zinc/76/62/34/483766234.db2.gz NNPSLYJDZZZOFU-NEPJUHHUSA-N -1 0 358.372 -0.822 20 0 FBADRM COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597542288 483766403 /nfs/dbraw/zinc/76/64/03/483766403.db2.gz NNPSLYJDZZZOFU-NWDGAFQWSA-N -1 0 358.372 -0.822 20 0 FBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597542289 483766206 /nfs/dbraw/zinc/76/62/06/483766206.db2.gz NNPSLYJDZZZOFU-RYUDHWBXSA-N -1 0 358.372 -0.822 20 0 FBADRM COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597542290 483766316 /nfs/dbraw/zinc/76/63/16/483766316.db2.gz NNPSLYJDZZZOFU-VXGBXAGGSA-N -1 0 358.372 -0.822 20 0 FBADRM COC(=O)CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(=O)OC ZINC000597558754 483767470 /nfs/dbraw/zinc/76/74/70/483767470.db2.gz KLVMUZUJPMYUPT-SNVBAGLBSA-N -1 0 374.371 -0.736 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NCC(=O)Nc2ccn(C)n2)c1 ZINC000597571294 484447086 /nfs/dbraw/zinc/44/70/86/484447086.db2.gz DSVUNYCVWZIKPF-XMMPIXPASA-N -1 0 350.400 0.291 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NCC(=O)Nc2ccn(C)n2)c1 ZINC000597571295 484446806 /nfs/dbraw/zinc/44/68/06/484446806.db2.gz DSVUNYCVWZIKPF-DEOSSOPVSA-N -1 0 350.400 0.291 20 0 FBADRM CCOC(=O)[C@@H](CCOC)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597615757 483768208 /nfs/dbraw/zinc/76/82/08/483768208.db2.gz FJCDWDRCCLASRT-LLVKDONJSA-N -1 0 360.388 -0.262 20 0 FBADRM CCOC(=O)[C@H](CCOC)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597615758 483768273 /nfs/dbraw/zinc/76/82/73/483768273.db2.gz FJCDWDRCCLASRT-NSHDSACASA-N -1 0 360.388 -0.262 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N[C@@H](CO)CN2CCOCC2)c1 ZINC000597619105 483768421 /nfs/dbraw/zinc/76/84/21/483768421.db2.gz ZEPDLIWOSXYJSW-OZAJXLCCSA-N -1 0 356.444 -0.388 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N[C@H](CO)CN2CCOCC2)c1 ZINC000597619106 483768260 /nfs/dbraw/zinc/76/82/60/483768260.db2.gz ZEPDLIWOSXYJSW-RKNYENMMSA-N -1 0 356.444 -0.388 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N[C@H](CO)CN2CCOCC2)c1 ZINC000597619107 483768099 /nfs/dbraw/zinc/76/80/99/483768099.db2.gz ZEPDLIWOSXYJSW-RZFZLAGVSA-N -1 0 356.444 -0.388 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N[C@@H](CO)CN2CCOCC2)c1 ZINC000597619108 483768180 /nfs/dbraw/zinc/76/81/80/483768180.db2.gz ZEPDLIWOSXYJSW-YEBMWUKDSA-N -1 0 356.444 -0.388 20 0 FBADRM CNC(=O)[C@H](CCSC)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597656794 483771191 /nfs/dbraw/zinc/77/11/91/483771191.db2.gz CLWZTBWMBYTYTA-JTQLQIEISA-N -1 0 361.445 -0.363 20 0 FBADRM COC(=O)C[C@@H]1COCCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597658867 483772285 /nfs/dbraw/zinc/77/22/85/483772285.db2.gz ZOHOWJZPHFJELI-SECBINFHSA-N -1 0 358.372 -0.556 20 0 FBADRM COC(=O)C[C@H]1COCCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597658868 483772295 /nfs/dbraw/zinc/77/22/95/483772295.db2.gz ZOHOWJZPHFJELI-VIFPVBQESA-N -1 0 358.372 -0.556 20 0 FBADRM CCOC(=O)C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000597675386 483771848 /nfs/dbraw/zinc/77/18/48/483771848.db2.gz ASERLXOYCRLUFK-JTQLQIEISA-N -1 0 374.415 -0.314 20 0 FBADRM CCOC(=O)C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000597675387 483771701 /nfs/dbraw/zinc/77/17/01/483771701.db2.gz ASERLXOYCRLUFK-SNVBAGLBSA-N -1 0 374.415 -0.314 20 0 FBADRM CCOC(=O)C[C@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000597679996 483771798 /nfs/dbraw/zinc/77/17/98/483771798.db2.gz XFVRWXHPFFOQPS-MRVPVSSYSA-N -1 0 350.331 -0.212 20 0 FBADRM CCOC(=O)C[C@@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000597680006 483771683 /nfs/dbraw/zinc/77/16/83/483771683.db2.gz XFVRWXHPFFOQPS-QMMMGPOBSA-N -1 0 350.331 -0.212 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CC(O)(CO)C3)cc2)[n-]1 ZINC000597704830 483772639 /nfs/dbraw/zinc/77/26/39/483772639.db2.gz FXFZGKLXTGIEDQ-UHFFFAOYSA-N -1 0 361.354 -0.940 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCOCCN3)cc2)[n-]1 ZINC000597706858 483772771 /nfs/dbraw/zinc/77/27/71/483772771.db2.gz BHVLWWGYJHIWST-UHFFFAOYSA-N -1 0 360.370 -0.142 20 0 FBADRM CC[C@@](COC)(NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(=O)OC ZINC000597757925 483772887 /nfs/dbraw/zinc/77/28/87/483772887.db2.gz NEZXZALYONYIJF-AWEZNQCLSA-N -1 0 360.388 -0.262 20 0 FBADRM CC[C@](COC)(NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(=O)OC ZINC000597757926 483772863 /nfs/dbraw/zinc/77/28/63/483772863.db2.gz NEZXZALYONYIJF-CQSZACIVSA-N -1 0 360.388 -0.262 20 0 FBADRM COC(=O)[C@H]1CN(C)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000597774621 483773825 /nfs/dbraw/zinc/77/38/25/483773825.db2.gz OKTRVAZFQDZCBL-JTQLQIEISA-N -1 0 371.415 -0.784 20 0 FBADRM COC(=O)[C@@H]1CN(C)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000597774622 483773757 /nfs/dbraw/zinc/77/37/57/483773757.db2.gz OKTRVAZFQDZCBL-SNVBAGLBSA-N -1 0 371.415 -0.784 20 0 FBADRM Cn1[n-]c(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)cc1=O ZINC000597779421 483773690 /nfs/dbraw/zinc/77/36/90/483773690.db2.gz OQEIZGHLZQPPRC-JTQLQIEISA-N -1 0 359.404 -0.293 20 0 FBADRM Cn1[n-]c(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)cc1=O ZINC000597779423 483773677 /nfs/dbraw/zinc/77/36/77/483773677.db2.gz OQEIZGHLZQPPRC-SNVBAGLBSA-N -1 0 359.404 -0.293 20 0 FBADRM COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000597784309 483774417 /nfs/dbraw/zinc/77/44/17/483774417.db2.gz SYPLRXRAMXCDTK-GFCCVEGCSA-N -1 0 374.353 -0.076 20 0 FBADRM COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000597784311 483774254 /nfs/dbraw/zinc/77/42/54/483774254.db2.gz SYPLRXRAMXCDTK-LBPRGKRZSA-N -1 0 374.353 -0.076 20 0 FBADRM CCOC(=O)Cn1cnc([N-]C(=O)c2sccc2S(N)(=O)=O)n1 ZINC000597797360 483774411 /nfs/dbraw/zinc/77/44/11/483774411.db2.gz XLUGGSFVGFOPLF-UHFFFAOYSA-N -1 0 359.389 -0.198 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@H](C)O1 ZINC000597813787 483774843 /nfs/dbraw/zinc/77/48/43/483774843.db2.gz AIFAIMGSPJWYMA-UFBFGSQYSA-N -1 0 358.372 -0.558 20 0 FBADRM COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000597814306 483774854 /nfs/dbraw/zinc/77/48/54/483774854.db2.gz IQMLUMCRCIJGAI-BDAKNGLRSA-N -1 0 358.372 -0.964 20 0 FBADRM COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000597814308 483774905 /nfs/dbraw/zinc/77/49/05/483774905.db2.gz IQMLUMCRCIJGAI-DTWKUNHWSA-N -1 0 358.372 -0.964 20 0 FBADRM COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000597814310 483774771 /nfs/dbraw/zinc/77/47/71/483774771.db2.gz IQMLUMCRCIJGAI-IUCAKERBSA-N -1 0 358.372 -0.964 20 0 FBADRM COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000597814313 483774991 /nfs/dbraw/zinc/77/49/91/483774991.db2.gz IQMLUMCRCIJGAI-RKDXNWHRSA-N -1 0 358.372 -0.964 20 0 FBADRM COC[C@]1(C(=O)OC)CCCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597962013 483776801 /nfs/dbraw/zinc/77/68/01/483776801.db2.gz CGJFWDKJEUKPHC-HNNXBMFYSA-N -1 0 372.399 -0.166 20 0 FBADRM COC[C@@]1(C(=O)OC)CCCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000597962014 483776898 /nfs/dbraw/zinc/77/68/98/483776898.db2.gz CGJFWDKJEUKPHC-OAHLLOKOSA-N -1 0 372.399 -0.166 20 0 FBADRM COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000598012660 483777898 /nfs/dbraw/zinc/77/78/98/483777898.db2.gz TVLNTHLAWFOUDQ-WCQYABFASA-N -1 0 372.399 -0.297 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)c1 ZINC000598027678 483777397 /nfs/dbraw/zinc/77/73/97/483777397.db2.gz LYHSNKNXAVLCNR-GIYNXVAASA-N -1 0 361.441 -0.269 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)c1 ZINC000598027679 483777170 /nfs/dbraw/zinc/77/71/70/483777170.db2.gz LYHSNKNXAVLCNR-GPAUDHNESA-N -1 0 361.441 -0.269 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)c1 ZINC000598027680 483777235 /nfs/dbraw/zinc/77/72/35/483777235.db2.gz LYHSNKNXAVLCNR-UAGWRWDDSA-N -1 0 361.441 -0.269 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)c1 ZINC000598027681 483777347 /nfs/dbraw/zinc/77/73/47/483777347.db2.gz LYHSNKNXAVLCNR-UTWWPYJBSA-N -1 0 361.441 -0.269 20 0 FBADRM COC(=O)[C@@]1(NC(=O)CNS(=O)(=O)c2cn(C)cn2)CC[C@@H](C)CC1 ZINC000598102403 483778106 /nfs/dbraw/zinc/77/81/06/483778106.db2.gz RDXJOFPDJOPKMV-FUKZOUPISA-N -1 0 372.447 -0.064 20 0 FBADRM CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)C[C@@H]2NC(=O)NC2=O)n1 ZINC000598125709 484311580 /nfs/dbraw/zinc/31/15/80/484311580.db2.gz RBUHLWODYASLMF-UWVGGRQHSA-N -1 0 351.363 0.324 20 0 FBADRM CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 ZINC000598146583 483778167 /nfs/dbraw/zinc/77/81/67/483778167.db2.gz HFQNWLKFOJLBGR-QLJPJBMISA-N -1 0 353.375 -0.645 20 0 FBADRM Cn1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)OC(C)(C)C)C2)c(=O)[nH]c1=O ZINC000598146643 483778359 /nfs/dbraw/zinc/77/83/59/483778359.db2.gz JNFPDIZUSYUWFL-BMLIUANNSA-N -1 0 365.386 -0.084 20 0 FBADRM CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 ZINC000598147645 483778388 /nfs/dbraw/zinc/77/83/88/483778388.db2.gz RJPGFMCIBGGDRJ-CZIZLABSSA-N -1 0 367.402 -0.209 20 0 FBADRM CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 ZINC000598147650 483778147 /nfs/dbraw/zinc/77/81/47/483778147.db2.gz RJPGFMCIBGGDRJ-VGTOOOLASA-N -1 0 367.402 -0.209 20 0 FBADRM CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(C(=O)c1[nH]c(=O)[nH]c(=O)c1N)C2 ZINC000598150110 483778349 /nfs/dbraw/zinc/77/83/49/483778349.db2.gz GZBMXXDEKQRYBB-VPTHRUTESA-N -1 0 366.374 -0.100 20 0 FBADRM CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC000598150605 483778314 /nfs/dbraw/zinc/77/83/14/483778314.db2.gz MHUYALNNBODLQE-KCWFYHRYSA-N -1 0 353.375 -0.599 20 0 FBADRM CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC000598150645 483778305 /nfs/dbraw/zinc/77/83/05/483778305.db2.gz OILDYDIYVCNWBY-ANRSDYALSA-N -1 0 352.347 -0.287 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NC[C@@H]3CCC(=O)N3)cc2)[n-]1 ZINC000598299349 483780540 /nfs/dbraw/zinc/78/05/40/483780540.db2.gz IYMRZKKIROZLPP-LBPRGKRZSA-N -1 0 372.381 -0.111 20 0 FBADRM CC(C)(C)OC(=O)Cn1ccc(NC(=O)CC[C@H]2NC(=O)NC2=O)n1 ZINC000598546995 484122268 /nfs/dbraw/zinc/12/22/68/484122268.db2.gz IGWHMLJXGXEMLF-SECBINFHSA-N -1 0 351.363 0.152 20 0 FBADRM CC(C)(C)OC(=O)Cn1ccc(NC(=O)CC[C@@H]2NC(=O)NC2=O)n1 ZINC000598546996 484122523 /nfs/dbraw/zinc/12/25/23/484122523.db2.gz IGWHMLJXGXEMLF-VIFPVBQESA-N -1 0 351.363 0.152 20 0 FBADRM COC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000598587693 483783809 /nfs/dbraw/zinc/78/38/09/483783809.db2.gz SZVWILUQLJPRBL-CYBMUJFWSA-N -1 0 354.370 -0.070 20 0 FBADRM COC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000598587694 483783491 /nfs/dbraw/zinc/78/34/91/483783491.db2.gz SZVWILUQLJPRBL-ZDUSSCGKSA-N -1 0 354.370 -0.070 20 0 FBADRM COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000598671266 483785910 /nfs/dbraw/zinc/78/59/10/483785910.db2.gz QFRSCWVFHKLERQ-RCWTZXSCSA-N -1 0 367.358 -0.818 20 0 FBADRM COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1c[n-]n2c1nccc2=O ZINC000598696306 483786320 /nfs/dbraw/zinc/78/63/20/483786320.db2.gz PIMSNGVKCQFFCX-NSHDSACASA-N -1 0 363.374 -0.544 20 0 FBADRM CCOC(=O)c1cnc(NC(=O)c2nc(N)nc(N3CCOCC3)n2)[n-]1 ZINC000598729694 484507573 /nfs/dbraw/zinc/50/75/73/484507573.db2.gz SICCFMWQHVDMBT-UHFFFAOYSA-N -1 0 362.350 -0.558 20 0 FBADRM COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1c([O-])cccc1F ZINC000598903035 483790639 /nfs/dbraw/zinc/79/06/39/483790639.db2.gz AFTLUMBGKPOSAN-WPRPVWTQSA-N -1 0 365.317 -0.161 20 0 FBADRM CCOC(=O)C(NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(=O)OCC ZINC000598986340 483793942 /nfs/dbraw/zinc/79/39/42/483793942.db2.gz IKBAIIHJZOYPBL-UHFFFAOYSA-N -1 0 373.387 -0.322 20 0 FBADRM COC(=O)C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(=O)OC ZINC000599003707 483794510 /nfs/dbraw/zinc/79/45/10/483794510.db2.gz MMCDQVCMPQPCHP-SECBINFHSA-N -1 0 359.360 -0.712 20 0 FBADRM COC(=O)C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(=O)OC ZINC000599003708 483794673 /nfs/dbraw/zinc/79/46/73/483794673.db2.gz MMCDQVCMPQPCHP-VIFPVBQESA-N -1 0 359.360 -0.712 20 0 FBADRM COC(=O)c1cnn(CC(=O)Nc2nnc([N-]S(C)(=O)=O)s2)c1 ZINC000599140924 483797388 /nfs/dbraw/zinc/79/73/88/483797388.db2.gz AQLSRLSOFZDNNW-UHFFFAOYSA-N -1 0 360.377 -0.469 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C2CCN(S(C)(=O)=O)CC2)on1 ZINC000599209680 483800414 /nfs/dbraw/zinc/80/04/14/483800414.db2.gz BHRWYPWFXFHFEW-UHFFFAOYSA-N -1 0 367.405 -0.837 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCCN(C)S(C)(=O)=O)on1 ZINC000599215936 483801568 /nfs/dbraw/zinc/80/15/68/483801568.db2.gz NGJQHMASVAUMCP-UHFFFAOYSA-N -1 0 355.394 -0.979 20 0 FBADRM CCS(=O)(=O)N(C)CCC[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599216313 483801914 /nfs/dbraw/zinc/80/19/14/483801914.db2.gz PKOUJXBCWOUYIZ-UHFFFAOYSA-N -1 0 369.421 -0.589 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCN(S(C)(=O)=O)C2)on1 ZINC000599223420 483802288 /nfs/dbraw/zinc/80/22/88/483802288.db2.gz KJKGNXRWUHKBFH-MRVPVSSYSA-N -1 0 367.405 -0.837 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCCN(S(C)(=O)=O)C2)on1 ZINC000599223421 483802333 /nfs/dbraw/zinc/80/23/33/483802333.db2.gz KJKGNXRWUHKBFH-QMMMGPOBSA-N -1 0 367.405 -0.837 20 0 FBADRM CCOC1(CS(=O)(=O)[N-][C@H](CC(=O)OC)C(=O)OC)CCOCC1 ZINC000599223710 483802307 /nfs/dbraw/zinc/80/23/07/483802307.db2.gz VWIWJQAUDJEXQG-LLVKDONJSA-N -1 0 367.420 -0.404 20 0 FBADRM CCOC1(CS(=O)(=O)[N-][C@@H](CC(=O)OC)C(=O)OC)CCOCC1 ZINC000599223713 483802654 /nfs/dbraw/zinc/80/26/54/483802654.db2.gz VWIWJQAUDJEXQG-NSHDSACASA-N -1 0 367.420 -0.404 20 0 FBADRM CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599226067 483802614 /nfs/dbraw/zinc/80/26/14/483802614.db2.gz SLQIOAJTQOVPDV-UHFFFAOYSA-N -1 0 355.394 -0.931 20 0 FBADRM CCN(CCC[N-]S(=O)(=O)c1cc(C(=O)OC)no1)S(C)(=O)=O ZINC000599226501 483802579 /nfs/dbraw/zinc/80/25/79/483802579.db2.gz KCTIUZMRHHEVRK-UHFFFAOYSA-N -1 0 369.421 -0.589 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCS(=O)(=O)NC(C)C)on1 ZINC000599226771 483802498 /nfs/dbraw/zinc/80/24/98/483802498.db2.gz ZIKJZQDZZBKZQD-UHFFFAOYSA-N -1 0 355.394 -0.933 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCCN2CCCS2(=O)=O)on1 ZINC000599226880 483802694 /nfs/dbraw/zinc/80/26/94/483802694.db2.gz LZZISCPORSDYLA-UHFFFAOYSA-N -1 0 367.405 -0.835 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C2CCN(CC(=O)N(C)C)CC2)on1 ZINC000599228249 483802681 /nfs/dbraw/zinc/80/26/81/483802681.db2.gz ATVOGNZFTIEUAW-UHFFFAOYSA-N -1 0 374.419 -0.708 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)NS(C)(=O)=O)on1 ZINC000599228824 483802621 /nfs/dbraw/zinc/80/26/21/483802621.db2.gz JIBXRCYFCILZAE-UHFFFAOYSA-N -1 0 355.394 -0.933 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCN(c3cnn(C)c3)C2=O)on1 ZINC000599234973 483803223 /nfs/dbraw/zinc/80/32/23/483803223.db2.gz SNCCOMNBIJXXNQ-SECBINFHSA-N -1 0 369.359 -0.722 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCN(c3cnn(C)c3)C2=O)on1 ZINC000599234979 483803134 /nfs/dbraw/zinc/80/31/34/483803134.db2.gz SNCCOMNBIJXXNQ-VIFPVBQESA-N -1 0 369.359 -0.722 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCc3nnc(C)n3C2)on1 ZINC000599239352 483801047 /nfs/dbraw/zinc/80/10/47/483801047.db2.gz ZWDGVXNUWAGDAS-SECBINFHSA-N -1 0 355.376 -0.098 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCc3nnc(C)n3C2)on1 ZINC000599239353 483800951 /nfs/dbraw/zinc/80/09/51/483800951.db2.gz ZWDGVXNUWAGDAS-VIFPVBQESA-N -1 0 355.376 -0.098 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@]23NC(=O)NC3=O)on1 ZINC000599247829 483801354 /nfs/dbraw/zinc/80/13/54/483801354.db2.gz UXFBRYHMBZVLLG-CPFSXVBKSA-N -1 0 372.359 -0.882 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@@]23NC(=O)NC3=O)on1 ZINC000599247831 483801229 /nfs/dbraw/zinc/80/12/29/483801229.db2.gz UXFBRYHMBZVLLG-FUXBKTLASA-N -1 0 372.359 -0.882 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@]23NC(=O)NC3=O)on1 ZINC000599247833 483801334 /nfs/dbraw/zinc/80/13/34/483801334.db2.gz UXFBRYHMBZVLLG-UHLUBPPHSA-N -1 0 372.359 -0.882 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@]23NC(=O)NC3=O)on1 ZINC000599247834 483801162 /nfs/dbraw/zinc/80/11/62/483801162.db2.gz UXFBRYHMBZVLLG-WPPNPWJKSA-N -1 0 372.359 -0.882 20 0 FBADRM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2CC(=O)N(C(C)C)C2=O)on1 ZINC000599249173 483802947 /nfs/dbraw/zinc/80/29/47/483802947.db2.gz SWNKECNVUMNKDE-JTQLQIEISA-N -1 0 373.387 -0.193 20 0 FBADRM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CC(=O)N(C(C)C)C2=O)on1 ZINC000599249174 483803277 /nfs/dbraw/zinc/80/32/77/483803277.db2.gz SWNKECNVUMNKDE-SNVBAGLBSA-N -1 0 373.387 -0.193 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C(C)(C)CCS(C)(=O)=O)on1 ZINC000599249263 483803294 /nfs/dbraw/zinc/80/32/94/483803294.db2.gz FVFRDISAQIBALP-UHFFFAOYSA-N -1 0 354.406 -0.047 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCN(C3CCOCC3)C2=O)on1 ZINC000599249278 483803285 /nfs/dbraw/zinc/80/32/85/483803285.db2.gz VTNFJLOOPVKAMW-JTQLQIEISA-N -1 0 373.387 -0.481 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCN(C3CCOCC3)C2=O)on1 ZINC000599249279 483803021 /nfs/dbraw/zinc/80/30/21/483803021.db2.gz VTNFJLOOPVKAMW-SNVBAGLBSA-N -1 0 373.387 -0.481 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC2(CS(C)(=O)=O)CC2)on1 ZINC000599250461 483802900 /nfs/dbraw/zinc/80/29/00/483802900.db2.gz NMNDTEWDEXIRDN-UHFFFAOYSA-N -1 0 352.390 -0.436 20 0 FBADRM COC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599251109 483803882 /nfs/dbraw/zinc/80/38/82/483803882.db2.gz FSZXPEUCCBMWFV-GFCCVEGCSA-N -1 0 350.349 -0.292 20 0 FBADRM COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599251110 483803767 /nfs/dbraw/zinc/80/37/67/483803767.db2.gz FSZXPEUCCBMWFV-LBPRGKRZSA-N -1 0 350.349 -0.292 20 0 FBADRM COC(=O)CC1([N-]S(=O)(=O)c2cc(C(=O)OC)no2)CCOCC1 ZINC000599252976 483803896 /nfs/dbraw/zinc/80/38/96/483803896.db2.gz YKJQLDBYABKNIW-UHFFFAOYSA-N -1 0 362.360 -0.148 20 0 FBADRM COCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)no1)CC2 ZINC000599255649 483803834 /nfs/dbraw/zinc/80/38/34/483803834.db2.gz CGAJRQCVELWYEF-MRVPVSSYSA-N -1 0 371.375 -0.508 20 0 FBADRM COCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)no1)CC2 ZINC000599255650 483803447 /nfs/dbraw/zinc/80/34/47/483803447.db2.gz CGAJRQCVELWYEF-QMMMGPOBSA-N -1 0 371.375 -0.508 20 0 FBADRM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)no1)C(=O)N1CCOCC1 ZINC000599255779 483803793 /nfs/dbraw/zinc/80/37/93/483803793.db2.gz KZKHLJDERYGRMW-SECBINFHSA-N -1 0 361.376 -0.623 20 0 FBADRM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)no1)C(=O)N1CCOCC1 ZINC000599255780 483803705 /nfs/dbraw/zinc/80/37/05/483803705.db2.gz KZKHLJDERYGRMW-VIFPVBQESA-N -1 0 361.376 -0.623 20 0 FBADRM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@](C)(COC)C(=O)OC)on1 ZINC000599256992 483803386 /nfs/dbraw/zinc/80/33/86/483803386.db2.gz CVUQUYICNRBGAS-CYBMUJFWSA-N -1 0 364.376 -0.151 20 0 FBADRM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@](C)(COC)C(=O)OC)on1 ZINC000599256993 483803814 /nfs/dbraw/zinc/80/38/14/483803814.db2.gz CVUQUYICNRBGAS-ZDUSSCGKSA-N -1 0 364.376 -0.151 20 0 FBADRM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@]2(C(=O)OC)CCOC2)on1 ZINC000599257120 483803958 /nfs/dbraw/zinc/80/39/58/483803958.db2.gz GKXMHVRSPZRABC-CYBMUJFWSA-N -1 0 362.360 -0.397 20 0 FBADRM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@]2(C(=O)OC)CCOC2)on1 ZINC000599257121 483803728 /nfs/dbraw/zinc/80/37/28/483803728.db2.gz GKXMHVRSPZRABC-ZDUSSCGKSA-N -1 0 362.360 -0.397 20 0 FBADRM CCOC1(CS(=O)(=O)[N-][C@@]2(C(=O)OC)CCOC2)CCOCC1 ZINC000599257334 483803758 /nfs/dbraw/zinc/80/37/58/483803758.db2.gz IYUDOLYJTHVVJK-AWEZNQCLSA-N -1 0 351.421 -0.176 20 0 FBADRM CCOC1(CS(=O)(=O)[N-][C@]2(C(=O)OC)CCOC2)CCOCC1 ZINC000599257335 483803564 /nfs/dbraw/zinc/80/35/64/483803564.db2.gz IYUDOLYJTHVVJK-CQSZACIVSA-N -1 0 351.421 -0.176 20 0 FBADRM CCOC(=O)c1cc(CS(=O)(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)on1 ZINC000599262678 483803483 /nfs/dbraw/zinc/80/34/83/483803483.db2.gz LPNUTJPZDZVHCA-GWCFXTLKSA-N -1 0 361.420 -0.010 20 0 FBADRM CCOC(=O)c1cc(CS(=O)(=O)N[C@@H](C)[C@H]2CN(C)CCO2)on1 ZINC000599262679 483803948 /nfs/dbraw/zinc/80/39/48/483803948.db2.gz LPNUTJPZDZVHCA-GXFFZTMASA-N -1 0 361.420 -0.010 20 0 FBADRM CCOC(=O)c1cc(CS(=O)(=O)N[C@H](C)[C@@H]2CN(C)CCO2)on1 ZINC000599262680 483803886 /nfs/dbraw/zinc/80/38/86/483803886.db2.gz LPNUTJPZDZVHCA-MFKMUULPSA-N -1 0 361.420 -0.010 20 0 FBADRM CCOC(=O)c1cc(CS(=O)(=O)N[C@H](C)[C@H]2CN(C)CCO2)on1 ZINC000599262681 483803915 /nfs/dbraw/zinc/80/39/15/483803915.db2.gz LPNUTJPZDZVHCA-ZWNOBZJWSA-N -1 0 361.420 -0.010 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCN(S(C)(=O)=O)C2)on1 ZINC000599264193 483804593 /nfs/dbraw/zinc/80/45/93/483804593.db2.gz BRXFZQNGZOWQFD-MRVPVSSYSA-N -1 0 367.405 -0.979 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCN(S(C)(=O)=O)C2)on1 ZINC000599264194 483804425 /nfs/dbraw/zinc/80/44/25/483804425.db2.gz BRXFZQNGZOWQFD-QMMMGPOBSA-N -1 0 367.405 -0.979 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@]2(C(=O)OC)CCSC2)on1 ZINC000599265910 483804507 /nfs/dbraw/zinc/80/45/07/483804507.db2.gz LTDIDYGBOSTFMK-LLVKDONJSA-N -1 0 350.374 -0.212 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@]2(C(=O)OC)CCSC2)on1 ZINC000599265911 483804460 /nfs/dbraw/zinc/80/44/60/483804460.db2.gz LTDIDYGBOSTFMK-NSHDSACASA-N -1 0 350.374 -0.212 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCCN2S(C)(=O)=O)on1 ZINC000599267795 483804077 /nfs/dbraw/zinc/80/40/77/483804077.db2.gz ZOBGLNNKJKPVHY-MRVPVSSYSA-N -1 0 367.405 -0.837 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCC2CCS(=O)(=O)CC2)on1 ZINC000599270454 483804635 /nfs/dbraw/zinc/80/46/35/483804635.db2.gz KCNARFNGDUMEFG-UHFFFAOYSA-N -1 0 366.417 -0.046 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)N(C)C)O2)on1 ZINC000599271214 483804397 /nfs/dbraw/zinc/80/43/97/483804397.db2.gz COCFYOYJEUMNDJ-PSASIEDQSA-N -1 0 361.376 -0.625 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)on1 ZINC000599271215 483804102 /nfs/dbraw/zinc/80/41/02/483804102.db2.gz COCFYOYJEUMNDJ-SCZZXKLOSA-N -1 0 361.376 -0.625 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)on1 ZINC000599271216 483804119 /nfs/dbraw/zinc/80/41/19/483804119.db2.gz COCFYOYJEUMNDJ-WCBMZHEXSA-N -1 0 361.376 -0.625 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)on1 ZINC000599271217 483804197 /nfs/dbraw/zinc/80/41/97/483804197.db2.gz COCFYOYJEUMNDJ-WPRPVWTQSA-N -1 0 361.376 -0.625 20 0 FBADRM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](COC)C(=O)OC)on1 ZINC000599273445 483804490 /nfs/dbraw/zinc/80/44/90/483804490.db2.gz DQMSULQULITEPV-JTQLQIEISA-N -1 0 350.349 -0.541 20 0 FBADRM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](COC)C(=O)OC)on1 ZINC000599273446 483804485 /nfs/dbraw/zinc/80/44/85/483804485.db2.gz DQMSULQULITEPV-SNVBAGLBSA-N -1 0 350.349 -0.541 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCCCS2(=O)=O)on1 ZINC000599274888 483805285 /nfs/dbraw/zinc/80/52/85/483805285.db2.gz GHHHTCUUFXOLFR-MRVPVSSYSA-N -1 0 352.390 -0.293 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCCCS2(=O)=O)on1 ZINC000599274889 483805338 /nfs/dbraw/zinc/80/53/38/483805338.db2.gz GHHHTCUUFXOLFR-QMMMGPOBSA-N -1 0 352.390 -0.293 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCC(=O)NCc2ccccn2)on1 ZINC000599274905 483805364 /nfs/dbraw/zinc/80/53/64/483805364.db2.gz GOYJJUIJHGIWMV-UHFFFAOYSA-N -1 0 368.371 -0.159 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@](C)(O)C(=O)OC(C)(C)C)on1 ZINC000599276759 483804711 /nfs/dbraw/zinc/80/47/11/483804711.db2.gz CBBJLAMGIXTFQA-CYBMUJFWSA-N -1 0 364.376 -0.168 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@](C)(O)C(=O)OC(C)(C)C)on1 ZINC000599276760 483805178 /nfs/dbraw/zinc/80/51/78/483805178.db2.gz CBBJLAMGIXTFQA-ZDUSSCGKSA-N -1 0 364.376 -0.168 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599281326 483805089 /nfs/dbraw/zinc/80/50/89/483805089.db2.gz IIPVXAORWJBHBR-GXSJLCMTSA-N -1 0 364.376 -0.440 20 0 FBADRM COCCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599281327 483805171 /nfs/dbraw/zinc/80/51/71/483805171.db2.gz IIPVXAORWJBHBR-KOLCDFICSA-N -1 0 364.376 -0.440 20 0 FBADRM COCCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599281329 483804767 /nfs/dbraw/zinc/80/47/67/483804767.db2.gz IIPVXAORWJBHBR-MWLCHTKSSA-N -1 0 364.376 -0.440 20 0 FBADRM COCCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599281330 483805051 /nfs/dbraw/zinc/80/50/51/483805051.db2.gz IIPVXAORWJBHBR-ONGXEEELSA-N -1 0 364.376 -0.440 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCCCCS(C)(=O)=O)on1 ZINC000599282631 483805118 /nfs/dbraw/zinc/80/51/18/483805118.db2.gz SDDPHTMVUDSQIV-UHFFFAOYSA-N -1 0 354.406 -0.046 20 0 FBADRM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](CO)C(=O)OCC)on1 ZINC000599283341 483804915 /nfs/dbraw/zinc/80/49/15/483804915.db2.gz VYNNCBBKDBRXHM-JTQLQIEISA-N -1 0 350.349 -0.805 20 0 FBADRM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](CO)C(=O)OCC)on1 ZINC000599283342 483804956 /nfs/dbraw/zinc/80/49/56/483804956.db2.gz VYNNCBBKDBRXHM-SNVBAGLBSA-N -1 0 350.349 -0.805 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)OC)c2ccn(C)n2)on1 ZINC000599287753 483806352 /nfs/dbraw/zinc/80/63/52/483806352.db2.gz FRDVINSZBRXOFB-JTQLQIEISA-N -1 0 358.332 -0.613 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)OC)c2ccn(C)n2)on1 ZINC000599287754 483806542 /nfs/dbraw/zinc/80/65/42/483806542.db2.gz FRDVINSZBRXOFB-SNVBAGLBSA-N -1 0 358.332 -0.613 20 0 FBADRM COC(=O)CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)no1)C(=O)OC ZINC000599290043 483806401 /nfs/dbraw/zinc/80/64/01/483806401.db2.gz OCBYBKUHSBYNAX-SSDOTTSWSA-N -1 0 364.332 -0.766 20 0 FBADRM COC(=O)c1cc(F)cc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c1F ZINC000599293349 483806373 /nfs/dbraw/zinc/80/63/73/483806373.db2.gz VQZODPMVECAKER-UHFFFAOYSA-N -1 0 363.298 -0.051 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC2(S(C)(=O)=O)CCC2)on1 ZINC000599295414 483806197 /nfs/dbraw/zinc/80/61/97/483806197.db2.gz LLVROGYEWKGLRY-UHFFFAOYSA-N -1 0 352.390 -0.293 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC2(OCCO)CCOCC2)on1 ZINC000599300033 483805369 /nfs/dbraw/zinc/80/53/69/483805369.db2.gz LFFRGAULGSJRKP-UHFFFAOYSA-N -1 0 364.376 -0.702 20 0 FBADRM COC(=O)CN(CC(=O)OC)C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000599302389 483805684 /nfs/dbraw/zinc/80/56/84/483805684.db2.gz HSDRQVOVJIMVNN-UHFFFAOYSA-N -1 0 359.360 -0.759 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CO)C[C@@H](O)C(C)(C)C)on1 ZINC000599305553 483805742 /nfs/dbraw/zinc/80/57/42/483805742.db2.gz YXBLJRNPCRLGKI-PSASIEDQSA-N -1 0 350.393 -0.103 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CO)C[C@H](O)C(C)(C)C)on1 ZINC000599305555 483805568 /nfs/dbraw/zinc/80/55/68/483805568.db2.gz YXBLJRNPCRLGKI-SCZZXKLOSA-N -1 0 350.393 -0.103 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CO)C[C@@H](O)C(C)(C)C)on1 ZINC000599305556 483805949 /nfs/dbraw/zinc/80/59/49/483805949.db2.gz YXBLJRNPCRLGKI-WCBMZHEXSA-N -1 0 350.393 -0.103 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CO)C[C@H](O)C(C)(C)C)on1 ZINC000599305558 483805920 /nfs/dbraw/zinc/80/59/20/483805920.db2.gz YXBLJRNPCRLGKI-WPRPVWTQSA-N -1 0 350.393 -0.103 20 0 FBADRM CCOC(=O)c1cn(CC[N-]S(=O)(=O)c2cc(C(=O)OC)no2)cn1 ZINC000599306374 483805695 /nfs/dbraw/zinc/80/56/95/483805695.db2.gz GKCKQIYURDLTJD-UHFFFAOYSA-N -1 0 372.359 -0.187 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)on1 ZINC000599313914 483805926 /nfs/dbraw/zinc/80/59/26/483805926.db2.gz RKNFCDRCVLXHMU-UHFFFAOYSA-N -1 0 357.348 -0.147 20 0 FBADRM CNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599315152 483806606 /nfs/dbraw/zinc/80/66/06/483806606.db2.gz JYMCCAXVEHAFJN-ZETCQYMHSA-N -1 0 351.406 -0.393 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)N(C)C)on1 ZINC000599316969 483805690 /nfs/dbraw/zinc/80/56/90/483805690.db2.gz SMDSRMPPVGXMJB-QMMMGPOBSA-N -1 0 365.433 -0.051 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)on1 ZINC000599317012 483805839 /nfs/dbraw/zinc/80/58/39/483805839.db2.gz URURWRIZZBZGOT-SSDOTTSWSA-N -1 0 357.348 -0.147 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)on1 ZINC000599317013 483805973 /nfs/dbraw/zinc/80/59/73/483805973.db2.gz URURWRIZZBZGOT-ZETCQYMHSA-N -1 0 357.348 -0.147 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C2(S(C)(=O)=O)CC2)on1 ZINC000599318131 483807007 /nfs/dbraw/zinc/80/70/07/483807007.db2.gz USZXLZLTOLNDPI-SSDOTTSWSA-N -1 0 352.390 -0.295 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)C2(S(C)(=O)=O)CC2)on1 ZINC000599318132 483806774 /nfs/dbraw/zinc/80/67/74/483806774.db2.gz USZXLZLTOLNDPI-ZETCQYMHSA-N -1 0 352.390 -0.295 20 0 FBADRM CC[C@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599319293 483806737 /nfs/dbraw/zinc/80/67/37/483806737.db2.gz DSLYNXREJPLQHF-SSDOTTSWSA-N -1 0 355.394 -0.933 20 0 FBADRM CC[C@@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599319294 483806842 /nfs/dbraw/zinc/80/68/42/483806842.db2.gz DSLYNXREJPLQHF-ZETCQYMHSA-N -1 0 355.394 -0.933 20 0 FBADRM CC[C@](COC)([N-]S(=O)(=O)c1cc(C(=O)OC)no1)C(=O)OC ZINC000599323928 483807001 /nfs/dbraw/zinc/80/70/01/483807001.db2.gz MYQPUNYFZXLNEK-GFCCVEGCSA-N -1 0 350.349 -0.292 20 0 FBADRM CC[C@@](COC)([N-]S(=O)(=O)c1cc(C(=O)OC)no1)C(=O)OC ZINC000599323931 483806751 /nfs/dbraw/zinc/80/67/51/483806751.db2.gz MYQPUNYFZXLNEK-LBPRGKRZSA-N -1 0 350.349 -0.292 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC2(CS(C)(=O)=O)CCC2)on1 ZINC000599327360 483807235 /nfs/dbraw/zinc/80/72/35/483807235.db2.gz GASFBZRRVVGFEF-UHFFFAOYSA-N -1 0 366.417 -0.046 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCC(C)(C)S(C)(=O)=O)on1 ZINC000599327743 483807162 /nfs/dbraw/zinc/80/71/62/483807162.db2.gz UDIKTUSHZDOBJE-UHFFFAOYSA-N -1 0 354.406 -0.047 20 0 FBADRM CCOc1ccc(S(=O)(=O)NCCC(=O)NCc2nnn[n-]2)cc1 ZINC000599334035 483807249 /nfs/dbraw/zinc/80/72/49/483807249.db2.gz GQUMWCKDFHKGOS-UHFFFAOYSA-N -1 0 354.392 -0.417 20 0 FBADRM O=C(NCc1nnn[n-]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000599334123 483807621 /nfs/dbraw/zinc/80/76/21/483807621.db2.gz FWKVDPOGZPTBDA-UHFFFAOYSA-N -1 0 352.376 -0.849 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2nnn[n-]2)cc1 ZINC000599334280 483807575 /nfs/dbraw/zinc/80/75/75/483807575.db2.gz JRKFTYFUPKOCFS-UHFFFAOYSA-N -1 0 367.391 -0.905 20 0 FBADRM O=C(NCc1nnn[n-]1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000599334340 483807474 /nfs/dbraw/zinc/80/74/74/483807474.db2.gz MHZUZEUQFQWXCH-LLVKDONJSA-N -1 0 366.403 -0.413 20 0 FBADRM O=C(NCc1nnn[n-]1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000599334341 483807309 /nfs/dbraw/zinc/80/73/09/483807309.db2.gz MHZUZEUQFQWXCH-NSHDSACASA-N -1 0 366.403 -0.413 20 0 FBADRM O=C(NCc1nnn[n-]1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000599334343 483807569 /nfs/dbraw/zinc/80/75/69/483807569.db2.gz MJXCCDWJHIZZBS-LLVKDONJSA-N -1 0 366.403 -0.413 20 0 FBADRM O=C(NCc1nnn[n-]1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000599334344 483807510 /nfs/dbraw/zinc/80/75/10/483807510.db2.gz MJXCCDWJHIZZBS-NSHDSACASA-N -1 0 366.403 -0.413 20 0 FBADRM O=C(NCc1nnn[n-]1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000599334373 483807216 /nfs/dbraw/zinc/80/72/16/483807216.db2.gz IUIWQTIXMBOROE-UHFFFAOYSA-N -1 0 357.421 -0.805 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2nnn[n-]2)c1 ZINC000599334440 483807317 /nfs/dbraw/zinc/80/73/17/483807317.db2.gz MZWHBCYKSMAUKZ-UHFFFAOYSA-N -1 0 354.392 -0.637 20 0 FBADRM COc1ccc(C(=O)NCc2nnn[n-]2)cc1S(=O)(=O)NC1CC1 ZINC000599334454 483807632 /nfs/dbraw/zinc/80/76/32/483807632.db2.gz MWPUMYGCSPXTQD-UHFFFAOYSA-N -1 0 352.376 -0.421 20 0 FBADRM O=C(NCc1nnn[n-]1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000599334463 483807353 /nfs/dbraw/zinc/80/73/53/483807353.db2.gz OCALMXUBXTZWFH-UHFFFAOYSA-N -1 0 352.376 -0.849 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1nnn[n-]1 ZINC000599334477 483807460 /nfs/dbraw/zinc/80/74/60/483807460.db2.gz ORWXXEQJHLJIKK-UHFFFAOYSA-N -1 0 353.408 -0.357 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2nnn[n-]2)cc1 ZINC000599334623 483807583 /nfs/dbraw/zinc/80/75/83/483807583.db2.gz NPJSQNCJZOLPAP-LBPRGKRZSA-N -1 0 350.404 -0.022 20 0 FBADRM COc1ccc(C(=O)NCc2nnn[n-]2)cc1S(=O)(=O)NC(C)C ZINC000599334655 483807592 /nfs/dbraw/zinc/80/75/92/483807592.db2.gz OLNGDTCGSCGRID-UHFFFAOYSA-N -1 0 354.392 -0.175 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCc2nnn[n-]2)cc1 ZINC000599334778 483807269 /nfs/dbraw/zinc/80/72/69/483807269.db2.gz SYLVIBUHGVUBSZ-UHFFFAOYSA-N -1 0 352.376 -0.613 20 0 FBADRM O=C(NCc1nnn[n-]1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000599334781 483807549 /nfs/dbraw/zinc/80/75/49/483807549.db2.gz SZLMRLFTORRJNG-LLVKDONJSA-N -1 0 350.404 -0.083 20 0 FBADRM O=C(NCc1nnn[n-]1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000599334782 483807173 /nfs/dbraw/zinc/80/71/73/483807173.db2.gz SZLMRLFTORRJNG-NSHDSACASA-N -1 0 350.404 -0.083 20 0 FBADRM COc1ccc(S(=O)(=O)NCCC(=O)NCc2nnn[n-]2)cc1OC ZINC000599334839 483807503 /nfs/dbraw/zinc/80/75/03/483807503.db2.gz VRQRUDWLPIRKFR-UHFFFAOYSA-N -1 0 370.391 -0.798 20 0 FBADRM CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1nnn[n-]1 ZINC000599334884 483807398 /nfs/dbraw/zinc/80/73/98/483807398.db2.gz WXFMQDNTWXZEHP-LBPRGKRZSA-N -1 0 356.383 -0.042 20 0 FBADRM O=C(NCc1nnn[n-]1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000599334973 483807415 /nfs/dbraw/zinc/80/74/15/483807415.db2.gz VVTHTVOXYMUTLC-JTQLQIEISA-N -1 0 356.342 -0.095 20 0 FBADRM O=C(NCc1nnn[n-]1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000599334974 483807614 /nfs/dbraw/zinc/80/76/14/483807614.db2.gz VVTHTVOXYMUTLC-SNVBAGLBSA-N -1 0 356.342 -0.095 20 0 FBADRM COc1ccc(C(=O)NCc2nnn[n-]2)cc1S(=O)(=O)N1CCCC1 ZINC000599335018 483807261 /nfs/dbraw/zinc/80/72/61/483807261.db2.gz YVUGGZMWEDRRGR-UHFFFAOYSA-N -1 0 366.403 -0.077 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCC2(CS(C)(=O)=O)CC2)on1 ZINC000599337792 483806206 /nfs/dbraw/zinc/80/62/06/483806206.db2.gz IHJLGQOVMDPRSO-UHFFFAOYSA-N -1 0 366.417 -0.046 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)OC)c2ccnn2C)on1 ZINC000599339666 483806717 /nfs/dbraw/zinc/80/67/17/483806717.db2.gz IHRHHICLPVBQQI-JTQLQIEISA-N -1 0 358.332 -0.613 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)OC)c2ccnn2C)on1 ZINC000599339667 483806725 /nfs/dbraw/zinc/80/67/25/483806725.db2.gz IHRHHICLPVBQQI-SNVBAGLBSA-N -1 0 358.332 -0.613 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)S(=O)(=O)C2)on1 ZINC000599342778 483806675 /nfs/dbraw/zinc/80/66/75/483806675.db2.gz VKYPSKYVDGGIOP-HTQZYQBOSA-N -1 0 352.390 -0.295 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)S(=O)(=O)C2)on1 ZINC000599342779 483806691 /nfs/dbraw/zinc/80/66/91/483806691.db2.gz VKYPSKYVDGGIOP-JGVFFNPUSA-N -1 0 352.390 -0.295 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](C)S(=O)(=O)C2)on1 ZINC000599342780 483806669 /nfs/dbraw/zinc/80/66/69/483806669.db2.gz VKYPSKYVDGGIOP-SFYZADRCSA-N -1 0 352.390 -0.295 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CC[C@H](C)S(=O)(=O)C2)on1 ZINC000599342781 483806713 /nfs/dbraw/zinc/80/67/13/483806713.db2.gz VKYPSKYVDGGIOP-YUMQZZPRSA-N -1 0 352.390 -0.295 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2nnn[n-]2)C(C)C)cc1 ZINC000599344389 483806826 /nfs/dbraw/zinc/80/68/26/483806826.db2.gz FBSFVAZTQWWLTD-ZDUSSCGKSA-N -1 0 368.419 -0.172 20 0 FBADRM COCCOc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)OC)no2)nn1 ZINC000599347159 483806964 /nfs/dbraw/zinc/80/69/64/483806964.db2.gz IYBTVGQLFKKAQM-UHFFFAOYSA-N -1 0 372.359 -0.245 20 0 FBADRM CCS(=O)(=O)C1(C[N-]S(=O)(=O)c2cc(C(=O)OC)no2)CC1 ZINC000599348447 483807011 /nfs/dbraw/zinc/80/70/11/483807011.db2.gz LGONEXZMHCFWRU-UHFFFAOYSA-N -1 0 352.390 -0.293 20 0 FBADRM CCOC1(CS(=O)(=O)N[C@@H]2CCO[C@@H]2C(=O)OC)CCOCC1 ZINC000599351895 483808420 /nfs/dbraw/zinc/80/84/20/483808420.db2.gz KGEPPQXBNQSBEG-NEPJUHHUSA-N -1 0 351.421 -0.178 20 0 FBADRM CCOC(=O)c1cc(CS(=O)(=O)N[C@@H]2CCO[C@@H]2C(=O)OC)on1 ZINC000599352861 483808387 /nfs/dbraw/zinc/80/83/87/483808387.db2.gz RMBBLFGJHZUERT-KOLCDFICSA-N -1 0 362.360 -0.399 20 0 FBADRM COC(=O)[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cnnn1-c1ccccc1 ZINC000599352868 483808496 /nfs/dbraw/zinc/80/84/96/483808496.db2.gz RPSJAPXIBRFZKK-WCQYABFASA-N -1 0 352.372 -0.124 20 0 FBADRM CCn1cnnc1CCNC(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C ZINC000599353343 483808523 /nfs/dbraw/zinc/80/85/23/483808523.db2.gz CTTGGJCXRDEZKA-JTQLQIEISA-N -1 0 370.435 -0.071 20 0 FBADRM O=C(NCc1nnn[n-]1)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000599376632 483808449 /nfs/dbraw/zinc/80/84/49/483808449.db2.gz DQTIBGFCDDXWFW-UHFFFAOYSA-N -1 0 352.376 -0.849 20 0 FBADRM O=C(NCc1nnn[n-]1)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000599377319 483808347 /nfs/dbraw/zinc/80/83/47/483808347.db2.gz OWNYZKLKZXPJSL-UHFFFAOYSA-N -1 0 358.405 -0.788 20 0 FBADRM O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCc1nnn[n-]1 ZINC000599377413 483808287 /nfs/dbraw/zinc/80/82/87/483808287.db2.gz RNTRAGOGEKDECI-UHFFFAOYSA-N -1 0 356.433 -0.095 20 0 FBADRM COc1ccc(CCN2C[C@H](C(=O)NCc3nnn[n-]3)CC2=O)cc1OC ZINC000599377568 483808473 /nfs/dbraw/zinc/80/84/73/483808473.db2.gz WKVQTQALCNLJMT-GFCCVEGCSA-N -1 0 374.401 -0.076 20 0 FBADRM COc1ccc(CCN2C[C@@H](C(=O)NCc3nnn[n-]3)CC2=O)cc1OC ZINC000599377571 483808405 /nfs/dbraw/zinc/80/84/05/483808405.db2.gz WKVQTQALCNLJMT-LBPRGKRZSA-N -1 0 374.401 -0.076 20 0 FBADRM O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCc1nnn[n-]1 ZINC000599377637 483808339 /nfs/dbraw/zinc/80/83/39/483808339.db2.gz XLFXECGFJCTMCB-UHFFFAOYSA-N -1 0 364.309 -0.187 20 0 FBADRM CCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3nnn[n-]3)cc(C3CC3)nc21 ZINC000599377680 483808482 /nfs/dbraw/zinc/80/84/82/483808482.db2.gz XVEJVVQZBVMSSM-UHFFFAOYSA-N -1 0 356.346 -0.163 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCCN2CCC[C@H]2C(N)=O)on1 ZINC000599396011 483809290 /nfs/dbraw/zinc/80/92/90/483809290.db2.gz ONUDJZDVVWYVHB-JTQLQIEISA-N -1 0 360.392 -0.921 20 0 FBADRM CSCC[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(N)=O ZINC000599402001 483809632 /nfs/dbraw/zinc/80/96/32/483809632.db2.gz FCWRUYUONAXRNU-QMMMGPOBSA-N -1 0 373.416 -0.679 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2nc(C)no2)on1 ZINC000599514967 483813114 /nfs/dbraw/zinc/81/31/14/483813114.db2.gz LMVKVCVPASZCHY-XCBNKYQSSA-N -1 0 358.332 -0.039 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C[C@@H](C)O1 ZINC000599616104 483815637 /nfs/dbraw/zinc/81/56/37/483815637.db2.gz DZYUSSZLSXBWCR-SCZZXKLOSA-N -1 0 351.315 -0.493 20 0 FBADRM COC(=O)CCNC(=O)CCNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000599616113 483815648 /nfs/dbraw/zinc/81/56/48/483815648.db2.gz FBPWQQIBFLUDKD-UHFFFAOYSA-N -1 0 365.342 -0.491 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000599616140 484407937 /nfs/dbraw/zinc/40/79/37/484407937.db2.gz FRMCSEYNAWMBLQ-NXEZZACHSA-N -1 0 366.374 0.105 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000599616141 484408066 /nfs/dbraw/zinc/40/80/66/484408066.db2.gz FRMCSEYNAWMBLQ-UWVGGRQHSA-N -1 0 366.374 0.105 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000599616142 484408407 /nfs/dbraw/zinc/40/84/07/484408407.db2.gz FRMCSEYNAWMBLQ-VHSXEESVSA-N -1 0 366.374 0.105 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000599616143 484407990 /nfs/dbraw/zinc/40/79/90/484407990.db2.gz FRMCSEYNAWMBLQ-ZJUUUORDSA-N -1 0 366.374 0.105 20 0 FBADRM COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000599616441 483815546 /nfs/dbraw/zinc/81/55/46/483815546.db2.gz HEXRXQPKWVMDJS-BDAKNGLRSA-N -1 0 352.347 -0.286 20 0 FBADRM COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000599616442 483815565 /nfs/dbraw/zinc/81/55/65/483815565.db2.gz HEXRXQPKWVMDJS-DTWKUNHWSA-N -1 0 352.347 -0.286 20 0 FBADRM COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000599616444 483815402 /nfs/dbraw/zinc/81/54/02/483815402.db2.gz HEXRXQPKWVMDJS-IUCAKERBSA-N -1 0 352.347 -0.286 20 0 FBADRM COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000599616445 483815492 /nfs/dbraw/zinc/81/54/92/483815492.db2.gz HEXRXQPKWVMDJS-RKDXNWHRSA-N -1 0 352.347 -0.286 20 0 FBADRM COC(=O)CCNC(=O)CCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000599617428 483815338 /nfs/dbraw/zinc/81/53/38/483815338.db2.gz KOFZOWOTRDTZRG-UHFFFAOYSA-N -1 0 365.342 -0.491 20 0 FBADRM COC(=O)Cn1ncc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1C ZINC000599619734 483815477 /nfs/dbraw/zinc/81/54/77/483815477.db2.gz VREQSWQKQRKCPH-GXSJLCMTSA-N -1 0 366.374 -0.128 20 0 FBADRM COC(=O)Cn1ncc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c1C ZINC000599619738 483815646 /nfs/dbraw/zinc/81/56/46/483815646.db2.gz VREQSWQKQRKCPH-KOLCDFICSA-N -1 0 366.374 -0.128 20 0 FBADRM COC(=O)Cn1ncc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1C ZINC000599619740 483815605 /nfs/dbraw/zinc/81/56/05/483815605.db2.gz VREQSWQKQRKCPH-MWLCHTKSSA-N -1 0 366.374 -0.128 20 0 FBADRM COC(=O)Cn1ncc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1C ZINC000599619742 483815604 /nfs/dbraw/zinc/81/56/04/483815604.db2.gz VREQSWQKQRKCPH-ONGXEEELSA-N -1 0 366.374 -0.128 20 0 FBADRM COC(=O)c1c[nH]c2cc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])ccc21 ZINC000599620413 483815491 /nfs/dbraw/zinc/81/54/91/483815491.db2.gz SFXLUHQHVNKLCO-INIZCTEOSA-N -1 0 363.326 -0.155 20 0 FBADRM COC(=O)c1c[nH]c2cc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])ccc21 ZINC000599620414 483815618 /nfs/dbraw/zinc/81/56/18/483815618.db2.gz SFXLUHQHVNKLCO-MRXNPFEDSA-N -1 0 363.326 -0.155 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCO1 ZINC000599635153 483816666 /nfs/dbraw/zinc/81/66/66/483816666.db2.gz NFDKKVRYUSLIJZ-LLVKDONJSA-N -1 0 357.388 -0.143 20 0 FBADRM COC(=O)C[C@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCO1 ZINC000599635154 483816612 /nfs/dbraw/zinc/81/66/12/483816612.db2.gz NFDKKVRYUSLIJZ-NSHDSACASA-N -1 0 357.388 -0.143 20 0 FBADRM COC(=O)C[C@@]1(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCOC1 ZINC000599764716 483818195 /nfs/dbraw/zinc/81/81/95/483818195.db2.gz CSRFPJUMYHCRNS-AWEZNQCLSA-N -1 0 357.388 -0.095 20 0 FBADRM COC(=O)C[C@]1(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCOC1 ZINC000599764717 483818199 /nfs/dbraw/zinc/81/81/99/483818199.db2.gz CSRFPJUMYHCRNS-CQSZACIVSA-N -1 0 357.388 -0.095 20 0 FBADRM COC(=O)CCNC(=O)CCNC(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000599789239 483819048 /nfs/dbraw/zinc/81/90/48/483819048.db2.gz YTPHUBNFGJBOQP-MRVPVSSYSA-N -1 0 359.408 -0.142 20 0 FBADRM COC(=O)CCNC(=O)CCNC(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000599789240 483818941 /nfs/dbraw/zinc/81/89/41/483818941.db2.gz YTPHUBNFGJBOQP-QMMMGPOBSA-N -1 0 359.408 -0.142 20 0 FBADRM COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000599791995 483819209 /nfs/dbraw/zinc/81/92/09/483819209.db2.gz INLQWSBEBWSNPR-CMPLNLGQSA-N -1 0 357.388 -0.408 20 0 FBADRM COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000599791998 483819251 /nfs/dbraw/zinc/81/92/51/483819251.db2.gz INLQWSBEBWSNPR-JQWIXIFHSA-N -1 0 357.388 -0.408 20 0 FBADRM COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000599791999 483819140 /nfs/dbraw/zinc/81/91/40/483819140.db2.gz INLQWSBEBWSNPR-PWSUYJOCSA-N -1 0 357.388 -0.408 20 0 FBADRM COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000599792000 483819259 /nfs/dbraw/zinc/81/92/59/483819259.db2.gz INLQWSBEBWSNPR-ZYHUDNBSSA-N -1 0 357.388 -0.408 20 0 FBADRM COC(=O)[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)c1ccn(C)n1 ZINC000599807851 483818692 /nfs/dbraw/zinc/81/86/92/483818692.db2.gz VUBIUSADRYUGRL-GFCCVEGCSA-N -1 0 367.387 -0.169 20 0 FBADRM COC(=O)[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)c1ccn(C)n1 ZINC000599807854 483818505 /nfs/dbraw/zinc/81/85/05/483818505.db2.gz VUBIUSADRYUGRL-LBPRGKRZSA-N -1 0 367.387 -0.169 20 0 FBADRM COC(=O)CC[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(=O)OC ZINC000599821664 483819061 /nfs/dbraw/zinc/81/90/61/483819061.db2.gz JJUXTMVCEMMAPL-SNVBAGLBSA-N -1 0 373.387 -0.322 20 0 FBADRM O=C([O-])c1ccc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cn1 ZINC000599842171 483819232 /nfs/dbraw/zinc/81/92/32/483819232.db2.gz DLWHSBQBZKWNIK-GFCCVEGCSA-N -1 0 371.415 -0.002 20 0 FBADRM O=C([O-])c1ccc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cn1 ZINC000599842172 483819069 /nfs/dbraw/zinc/81/90/69/483819069.db2.gz DLWHSBQBZKWNIK-LBPRGKRZSA-N -1 0 371.415 -0.002 20 0 FBADRM COC(=O)CCNC(=O)CCNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000599860771 483819430 /nfs/dbraw/zinc/81/94/30/483819430.db2.gz MLDUZWNPGKDLJS-UHFFFAOYSA-N -1 0 359.379 -0.764 20 0 FBADRM COC(=O)c1cn(CCNC(=O)c2ccc([N-]S(C)(=O)=O)nc2)nn1 ZINC000599917657 483820409 /nfs/dbraw/zinc/82/04/09/483820409.db2.gz DXCPZBUZEUYOOW-UHFFFAOYSA-N -1 0 368.375 -0.739 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])C[C@@H](C)O1 ZINC000599946651 483820586 /nfs/dbraw/zinc/82/05/86/483820586.db2.gz ANBMXESSKAXDEI-UTUOFQBUSA-N -1 0 358.391 -0.362 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])C[C@@H](C)O1 ZINC000599946652 483820767 /nfs/dbraw/zinc/82/07/67/483820767.db2.gz ANBMXESSKAXDEI-WOPDTQHZSA-N -1 0 358.391 -0.362 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000599947036 483820723 /nfs/dbraw/zinc/82/07/23/483820723.db2.gz GSWONFYDJFZSOM-MFKMUULPSA-N -1 0 364.354 -0.210 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C[C@@H](C)O1 ZINC000599947192 483820840 /nfs/dbraw/zinc/82/08/40/483820840.db2.gz HSGVLUWQOTZBTN-JLLWLGSASA-N -1 0 356.375 -0.608 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C[C@@H](C)O1 ZINC000599947196 483820708 /nfs/dbraw/zinc/82/07/08/483820708.db2.gz HSGVLUWQOTZBTN-USWWRNFRSA-N -1 0 356.375 -0.608 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)C[C@@H](C)O1 ZINC000599947279 483820835 /nfs/dbraw/zinc/82/08/35/483820835.db2.gz ISCVECBWPVGTQK-YYJSSNLHSA-N -1 0 356.375 -0.465 20 0 FBADRM COC(=O)C[C@@H]1COCCN1C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000599947445 483820797 /nfs/dbraw/zinc/82/07/97/483820797.db2.gz KZSDNKCXPISRBN-LLVKDONJSA-N -1 0 357.388 -0.143 20 0 FBADRM COC(=O)C[C@H]1COCCN1C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000599947446 483820633 /nfs/dbraw/zinc/82/06/33/483820633.db2.gz KZSDNKCXPISRBN-NSHDSACASA-N -1 0 357.388 -0.143 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000599948202 483820611 /nfs/dbraw/zinc/82/06/11/483820611.db2.gz QJKGPRFBJWWYIO-MFKMUULPSA-N -1 0 364.354 -0.210 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)OC)C1)C(=O)[O-] ZINC000599949201 483820655 /nfs/dbraw/zinc/82/06/55/483820655.db2.gz WCAWADINOHSHHG-MNOVXSKESA-N -1 0 358.391 -0.218 20 0 FBADRM COC(=O)CCNC(=O)[C@H]1CS[C@H](C)N1C(=O)c1cc(=O)n(C)[n-]1 ZINC000600018208 483824578 /nfs/dbraw/zinc/82/45/78/483824578.db2.gz ZSIIBHLVXBIXRJ-PSASIEDQSA-N -1 0 356.404 -0.291 20 0 FBADRM COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)c1cc(=O)n(C)[n-]1 ZINC000600018209 483824558 /nfs/dbraw/zinc/82/45/58/483824558.db2.gz ZSIIBHLVXBIXRJ-SCZZXKLOSA-N -1 0 356.404 -0.291 20 0 FBADRM COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1C(=O)c1cc(=O)n(C)[n-]1 ZINC000600018210 483824538 /nfs/dbraw/zinc/82/45/38/483824538.db2.gz ZSIIBHLVXBIXRJ-WCBMZHEXSA-N -1 0 356.404 -0.291 20 0 FBADRM COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)c1cc(=O)n(C)[n-]1 ZINC000600018211 483824393 /nfs/dbraw/zinc/82/43/93/483824393.db2.gz ZSIIBHLVXBIXRJ-WPRPVWTQSA-N -1 0 356.404 -0.291 20 0 FBADRM COC(=O)[C@]1(OC)CCN(C(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)C1 ZINC000600038409 483824095 /nfs/dbraw/zinc/82/40/95/483824095.db2.gz DZRWACDBXNBGRX-HNNXBMFYSA-N -1 0 370.431 -0.014 20 0 FBADRM COC(=O)[C@@]1(OC)CCN(C(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)C1 ZINC000600038410 483824170 /nfs/dbraw/zinc/82/41/70/483824170.db2.gz DZRWACDBXNBGRX-OAHLLOKOSA-N -1 0 370.431 -0.014 20 0 FBADRM CCOC(=O)Cn1cnc(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)n1 ZINC000600039374 483824270 /nfs/dbraw/zinc/82/42/70/483824270.db2.gz XJNSICTUGOEOAA-UHFFFAOYSA-N -1 0 368.375 -0.140 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)C[C@@H](C)O1 ZINC000600045206 483826132 /nfs/dbraw/zinc/82/61/32/483826132.db2.gz GLERGFDGPYIKAB-BDAKNGLRSA-N -1 0 370.431 -0.015 20 0 FBADRM COC(=O)COCCNC(=O)C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000600046283 483826532 /nfs/dbraw/zinc/82/65/32/483826532.db2.gz CXAHZISZISOAGK-UHFFFAOYSA-N -1 0 364.383 -0.129 20 0 FBADRM COC(=O)C[C@H](O)CNC(=O)C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000600062463 483825732 /nfs/dbraw/zinc/82/57/32/483825732.db2.gz XTPZYABWRJYVRW-JTQLQIEISA-N -1 0 364.383 -0.394 20 0 FBADRM COC(=O)C[C@@H](O)CNC(=O)C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000600062464 483825787 /nfs/dbraw/zinc/82/57/87/483825787.db2.gz XTPZYABWRJYVRW-SNVBAGLBSA-N -1 0 364.383 -0.394 20 0 FBADRM COC(=O)[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)c1ccnn1C ZINC000600063585 483825821 /nfs/dbraw/zinc/82/58/21/483825821.db2.gz NPRICWSUXDWULM-GFCCVEGCSA-N -1 0 367.387 -0.169 20 0 FBADRM COC(=O)[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)c1ccnn1C ZINC000600063588 483825771 /nfs/dbraw/zinc/82/57/71/483825771.db2.gz NPRICWSUXDWULM-LBPRGKRZSA-N -1 0 367.387 -0.169 20 0 FBADRM COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1 ZINC000600076838 483827193 /nfs/dbraw/zinc/82/71/93/483827193.db2.gz JPDPDBIJCSILQG-GHMZBOCLSA-N -1 0 357.388 -0.551 20 0 FBADRM COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1 ZINC000600076839 483827385 /nfs/dbraw/zinc/82/73/85/483827385.db2.gz JPDPDBIJCSILQG-MNOVXSKESA-N -1 0 357.388 -0.551 20 0 FBADRM COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1 ZINC000600076840 483827415 /nfs/dbraw/zinc/82/74/15/483827415.db2.gz JPDPDBIJCSILQG-QWRGUYRKSA-N -1 0 357.388 -0.551 20 0 FBADRM COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1 ZINC000600076841 483827276 /nfs/dbraw/zinc/82/72/76/483827276.db2.gz JPDPDBIJCSILQG-WDEREUQCSA-N -1 0 357.388 -0.551 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C[C@H](C)O1 ZINC000600077570 483827406 /nfs/dbraw/zinc/82/74/06/483827406.db2.gz AUGIWTJEUWCWHQ-ONGXEEELSA-N -1 0 357.388 -0.144 20 0 FBADRM COC(=O)[C@]1(OC)CCN(C(=O)CNS(=O)(=O)c2ccccc2F)C1 ZINC000600292482 483475523 /nfs/dbraw/zinc/47/55/23/483475523.db2.gz QZTYDLPPXNTTJB-HNNXBMFYSA-N -1 0 374.390 -0.106 20 0 FBADRM COC(=O)[C@@]1(OC)CCN(C(=O)CNS(=O)(=O)c2ccccc2F)C1 ZINC000600292484 483475285 /nfs/dbraw/zinc/47/52/85/483475285.db2.gz QZTYDLPPXNTTJB-OAHLLOKOSA-N -1 0 374.390 -0.106 20 0 FBADRM COC(=O)[C@]1(OC)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000600301397 483499768 /nfs/dbraw/zinc/49/97/68/483499768.db2.gz RODAEYHSEALFAA-AWEZNQCLSA-N -1 0 358.372 -0.556 20 0 FBADRM COC(=O)[C@@]1(OC)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000600301398 483499784 /nfs/dbraw/zinc/49/97/84/483499784.db2.gz RODAEYHSEALFAA-CQSZACIVSA-N -1 0 358.372 -0.556 20 0 FBADRM COC(=O)[C@]1(OC)CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1 ZINC000600302522 483501520 /nfs/dbraw/zinc/50/15/20/483501520.db2.gz RFPUPKXGKSKQRV-AWEZNQCLSA-N -1 0 357.388 -0.143 20 0 FBADRM COC(=O)[C@@]1(OC)CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1 ZINC000600302523 483501192 /nfs/dbraw/zinc/50/11/92/483501192.db2.gz RFPUPKXGKSKQRV-CQSZACIVSA-N -1 0 357.388 -0.143 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@H]3C[C@H](C(N)=O)C3)cc2)[n-]1 ZINC000600316972 483578075 /nfs/dbraw/zinc/57/80/75/483578075.db2.gz JSFWZCHPXCOXMX-HAQNSBGRSA-N -1 0 372.381 -0.125 20 0 FBADRM COC(=O)[C@H]1CC[C@H](C(=O)OC)CN1C(=O)c1c[n-]n2c1nccc2=O ZINC000600322375 483603280 /nfs/dbraw/zinc/60/32/80/483603280.db2.gz AHSUFMBDFBZGPL-GXSJLCMTSA-N -1 0 362.342 -0.411 20 0 FBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)OC)N(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000600322395 483606053 /nfs/dbraw/zinc/60/60/53/483606053.db2.gz AHSUFMBDFBZGPL-KOLCDFICSA-N -1 0 362.342 -0.411 20 0 FBADRM COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000600322398 483605928 /nfs/dbraw/zinc/60/59/28/483605928.db2.gz AHSUFMBDFBZGPL-MWLCHTKSSA-N -1 0 362.342 -0.411 20 0 FBADRM COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000600322410 483606159 /nfs/dbraw/zinc/60/61/59/483606159.db2.gz AHSUFMBDFBZGPL-ONGXEEELSA-N -1 0 362.342 -0.411 20 0 FBADRM COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000600323558 483626316 /nfs/dbraw/zinc/62/63/16/483626316.db2.gz HKIMMIMWKAUDSR-PSASIEDQSA-N -1 0 353.331 -0.947 20 0 FBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)OC)N(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000600323561 483626613 /nfs/dbraw/zinc/62/66/13/483626613.db2.gz HKIMMIMWKAUDSR-SCZZXKLOSA-N -1 0 353.331 -0.947 20 0 FBADRM COC(=O)[C@H]1CC[C@H](C(=O)OC)CN1C(=O)c1cnc([O-])n(C)c1=O ZINC000600323567 483626214 /nfs/dbraw/zinc/62/62/14/483626214.db2.gz HKIMMIMWKAUDSR-WCBMZHEXSA-N -1 0 353.331 -0.947 20 0 FBADRM COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000600323577 483626734 /nfs/dbraw/zinc/62/67/34/483626734.db2.gz HKIMMIMWKAUDSR-WPRPVWTQSA-N -1 0 353.331 -0.947 20 0 FBADRM COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC000600349930 483680587 /nfs/dbraw/zinc/68/05/87/483680587.db2.gz ZPGYOOVVNJBHTG-HTQZYQBOSA-N -1 0 358.376 -0.444 20 0 FBADRM COC(=O)[C@H]1CC[C@H](C(=O)OC)CN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000600349937 483680808 /nfs/dbraw/zinc/68/08/08/483680808.db2.gz ZPGYOOVVNJBHTG-JGVFFNPUSA-N -1 0 358.376 -0.444 20 0 FBADRM COC(=O)[C@@H]1CC[C@@H](C(=O)OC)N(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC000600349938 483680264 /nfs/dbraw/zinc/68/02/64/483680264.db2.gz ZPGYOOVVNJBHTG-SFYZADRCSA-N -1 0 358.376 -0.444 20 0 FBADRM COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC000600349939 483680666 /nfs/dbraw/zinc/68/06/66/483680666.db2.gz ZPGYOOVVNJBHTG-YUMQZZPRSA-N -1 0 358.376 -0.444 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@@H](C)O1 ZINC000600371243 483694191 /nfs/dbraw/zinc/69/41/91/483694191.db2.gz AIFAIMGSPJWYMA-PELKAZGASA-N -1 0 358.372 -0.558 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C[C@@H](C)O1 ZINC000600371397 483694503 /nfs/dbraw/zinc/69/45/03/483694503.db2.gz AUGIWTJEUWCWHQ-KOLCDFICSA-N -1 0 357.388 -0.144 20 0 FBADRM COC(=O)COCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000600395731 483720155 /nfs/dbraw/zinc/72/01/55/483720155.db2.gz RUHXXOVWZPJILK-UHFFFAOYSA-N -1 0 360.388 -0.438 20 0 FBADRM COC(=O)COCCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000600403017 483722295 /nfs/dbraw/zinc/72/22/95/483722295.db2.gz FSKYOAIIZLCFMM-UHFFFAOYSA-N -1 0 366.342 -0.451 20 0 FBADRM COC(=O)C[C@@H](O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000600459191 483756588 /nfs/dbraw/zinc/75/65/88/483756588.db2.gz PMLSRDTUYSIUPT-SECBINFHSA-N -1 0 360.388 -0.704 20 0 FBADRM COC(=O)C[C@H](O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000600459192 483756723 /nfs/dbraw/zinc/75/67/23/483756723.db2.gz PMLSRDTUYSIUPT-VIFPVBQESA-N -1 0 360.388 -0.704 20 0 FBADRM COC(=O)C[C@@H](O)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000600473253 483758574 /nfs/dbraw/zinc/75/85/74/483758574.db2.gz XORJGXZOOCZVGD-MRVPVSSYSA-N -1 0 366.342 -0.717 20 0 FBADRM COC(=O)C[C@H](O)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000600473254 483758855 /nfs/dbraw/zinc/75/88/55/483758855.db2.gz XORJGXZOOCZVGD-QMMMGPOBSA-N -1 0 366.342 -0.717 20 0 FBADRM O=C(NCc1nnn[n-]1)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000600495137 483782214 /nfs/dbraw/zinc/78/22/14/483782214.db2.gz KBDQSCAESHNHTH-UHFFFAOYSA-N -1 0 374.473 -0.071 20 0 FBADRM O=C(NCc1nnn[n-]1)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 ZINC000600495208 483782474 /nfs/dbraw/zinc/78/24/74/483782474.db2.gz KHRLQTMBUWSXAB-UHFFFAOYSA-N -1 0 359.371 -0.253 20 0 FBADRM COC(=O)CCNC(=O)CCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000600495305 483782569 /nfs/dbraw/zinc/78/25/69/483782569.db2.gz PYBJJVIQISFPJF-UHFFFAOYSA-N -1 0 372.403 -0.748 20 0 FBADRM O=C(NCc1nnn[n-]1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000600495386 483782259 /nfs/dbraw/zinc/78/22/59/483782259.db2.gz MAFJVDFXDZVAKC-GHMZBOCLSA-N -1 0 350.379 -0.202 20 0 FBADRM O=C(NCc1nnn[n-]1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000600495389 483782403 /nfs/dbraw/zinc/78/24/03/483782403.db2.gz MAFJVDFXDZVAKC-MNOVXSKESA-N -1 0 350.379 -0.202 20 0 FBADRM O=C(NCc1nnn[n-]1)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000600495390 483782411 /nfs/dbraw/zinc/78/24/11/483782411.db2.gz MAFJVDFXDZVAKC-QWRGUYRKSA-N -1 0 350.379 -0.202 20 0 FBADRM O=C(NCc1nnn[n-]1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000600495391 483782578 /nfs/dbraw/zinc/78/25/78/483782578.db2.gz MAFJVDFXDZVAKC-WDEREUQCSA-N -1 0 350.379 -0.202 20 0 FBADRM O=C(NCc1nnn[n-]1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000600496007 483782833 /nfs/dbraw/zinc/78/28/33/483782833.db2.gz PKBXXIRLWTUVPR-UHFFFAOYSA-N -1 0 350.404 -0.083 20 0 FBADRM O=C(NCc1nnn[n-]1)c1nccnc1C(=O)NCc1ccc(F)cc1 ZINC000600496311 483783101 /nfs/dbraw/zinc/78/31/01/483783101.db2.gz BIHRRIDZHAMGBI-UHFFFAOYSA-N -1 0 356.321 -0.011 20 0 FBADRM O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NCc1nnn[n-]1 ZINC000600496312 483783149 /nfs/dbraw/zinc/78/31/49/483783149.db2.gz BKIWSLINACVSIQ-UHFFFAOYSA-N -1 0 365.147 -0.125 20 0 FBADRM O=C(Cn1cnc2ccc(Br)cc2c1=O)NCc1nnn[n-]1 ZINC000600496313 483782955 /nfs/dbraw/zinc/78/29/55/483782955.db2.gz BNOLYPFDMHLMIX-UHFFFAOYSA-N -1 0 364.163 -0.012 20 0 FBADRM O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NCc1nnn[n-]1 ZINC000600496376 483783006 /nfs/dbraw/zinc/78/30/06/483783006.db2.gz GEQAGDHUKIBKEC-AWEZNQCLSA-N -1 0 355.358 -0.708 20 0 FBADRM COC(=O)CCNC(=O)CCNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000600496426 483782790 /nfs/dbraw/zinc/78/27/90/483782790.db2.gz WHESUYFWTXBSPV-UHFFFAOYSA-N -1 0 362.342 -0.171 20 0 FBADRM O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NCc1nnn[n-]1 ZINC000600496783 483783162 /nfs/dbraw/zinc/78/31/62/483783162.db2.gz GEQAGDHUKIBKEC-CQSZACIVSA-N -1 0 355.358 -0.708 20 0 FBADRM O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCc1nnn[n-]1 ZINC000600496835 483783081 /nfs/dbraw/zinc/78/30/81/483783081.db2.gz GYJZLMJXFRVDAR-UHFFFAOYSA-N -1 0 350.404 -0.111 20 0 FBADRM C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCc3nnn[n-]3)n(C)c2)C1 ZINC000600497405 483783625 /nfs/dbraw/zinc/78/36/25/483783625.db2.gz LRNKQAHZPNTAMC-JTQLQIEISA-N -1 0 367.435 -0.111 20 0 FBADRM C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCc3nnn[n-]3)n(C)c2)C1 ZINC000600497419 483783706 /nfs/dbraw/zinc/78/37/06/483783706.db2.gz LRNKQAHZPNTAMC-SNVBAGLBSA-N -1 0 367.435 -0.111 20 0 FBADRM O=C(NCc1nnn[n-]1)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000600497715 483783636 /nfs/dbraw/zinc/78/36/36/483783636.db2.gz PUJLFOCDEDCEIX-UHFFFAOYSA-N -1 0 350.404 -0.640 20 0 FBADRM COC(=O)CCNC(=O)CCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000600501809 483783494 /nfs/dbraw/zinc/78/34/94/483783494.db2.gz AGZKLAHUVBAERK-UHFFFAOYSA-N -1 0 363.330 -0.765 20 0 FBADRM COCCNC(=O)CSc1ccccc1C(=O)NCc1nnn[n-]1 ZINC000600503320 483784179 /nfs/dbraw/zinc/78/41/79/483784179.db2.gz FKZLMISNKSTCAN-UHFFFAOYSA-N -1 0 350.404 -0.016 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2nnn[n-]2)C1 ZINC000600504055 483784282 /nfs/dbraw/zinc/78/42/82/483784282.db2.gz GDZNYJXBWFSLDQ-JTQLQIEISA-N -1 0 369.407 -0.478 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2nnn[n-]2)C1 ZINC000600504068 483784077 /nfs/dbraw/zinc/78/40/77/483784077.db2.gz GDZNYJXBWFSLDQ-SNVBAGLBSA-N -1 0 369.407 -0.478 20 0 FBADRM COC(=O)CCNC(=O)CCNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000600505099 483784669 /nfs/dbraw/zinc/78/46/69/483784669.db2.gz GOJKEOSIMQQZCE-UHFFFAOYSA-N -1 0 371.415 -0.143 20 0 FBADRM O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NCc1nnn[n-]1 ZINC000600505791 483784786 /nfs/dbraw/zinc/78/47/86/483784786.db2.gz SFMSFZIOWLTAMB-UHFFFAOYSA-N -1 0 353.360 -0.549 20 0 FBADRM Cc1ccc(C(=O)NCc2nnn[n-]2)cc1S(=O)(=O)N1CCOCC1 ZINC000600506327 483784659 /nfs/dbraw/zinc/78/46/59/483784659.db2.gz VOQXDPODFOCBSF-UHFFFAOYSA-N -1 0 366.403 -0.541 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1nnn[n-]1 ZINC000600506443 483784523 /nfs/dbraw/zinc/78/45/23/483784523.db2.gz XQYKWORRMROBFW-UHFFFAOYSA-N -1 0 366.403 -0.541 20 0 FBADRM COc1ccc(S(=O)(=O)N(C)CCCC(=O)NCc2nnn[n-]2)cc1 ZINC000600506467 483784587 /nfs/dbraw/zinc/78/45/87/483784587.db2.gz YMHUIKONRVPRGX-UHFFFAOYSA-N -1 0 368.419 -0.075 20 0 FBADRM COC(=O)c1cn(CC(=O)N=c2nc(C3CCOCC3)[n-]s2)nn1 ZINC000600515884 483785437 /nfs/dbraw/zinc/78/54/37/483785437.db2.gz ZNTNEQSADOOCQH-UHFFFAOYSA-N -1 0 352.376 -0.129 20 0 FBADRM COC(=O)c1cc(F)cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1F ZINC000600634188 483822880 /nfs/dbraw/zinc/82/28/80/483822880.db2.gz DEKFCXHJMACSKQ-UHFFFAOYSA-N -1 0 366.298 -0.770 20 0 FBADRM COC(=O)CCNC(=O)c1ccc([N-]S(=O)(=O)c2cnnn2C)cc1 ZINC000600635632 483823009 /nfs/dbraw/zinc/82/30/09/483823009.db2.gz CGUKIZNDNILGSM-UHFFFAOYSA-N -1 0 367.387 -0.091 20 0 FBADRM COC(=O)CNC(=O)Cc1ccc([N-]S(=O)(=O)c2cnnn2C)cc1 ZINC000600640790 483823336 /nfs/dbraw/zinc/82/33/36/483823336.db2.gz PGRDCIPPHBWHHV-UHFFFAOYSA-N -1 0 367.387 -0.552 20 0 FBADRM COC(=O)c1cc(F)cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1F ZINC000600650827 483823345 /nfs/dbraw/zinc/82/33/45/483823345.db2.gz CMASKVRGOLUJSK-FWOIEVBISA-N -1 0 353.299 -0.136 20 0 FBADRM COC(=O)c1cc(F)cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)c1F ZINC000600650829 483823283 /nfs/dbraw/zinc/82/32/83/483823283.db2.gz CMASKVRGOLUJSK-RRAGMBSWSA-N -1 0 353.299 -0.136 20 0 FBADRM COC(=O)c1cc(F)cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)c1F ZINC000600650830 483822890 /nfs/dbraw/zinc/82/28/90/483822890.db2.gz CMASKVRGOLUJSK-XUOSJQGZSA-N -1 0 353.299 -0.136 20 0 FBADRM COC(=O)c1cc([N-]S(=O)(=O)c2cnnn2C)cc(S(C)(=O)=O)c1 ZINC000600651557 483822925 /nfs/dbraw/zinc/82/29/25/483822925.db2.gz YVZUUBMHHHUZAB-UHFFFAOYSA-N -1 0 374.400 -0.194 20 0 FBADRM COC(=O)c1cc(F)cc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c1F ZINC000600651891 483822908 /nfs/dbraw/zinc/82/29/08/483822908.db2.gz KXXLJRUHEAIMBW-MRVPVSSYSA-N -1 0 353.299 -0.135 20 0 FBADRM COC(=O)c1cc(F)cc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c1F ZINC000600651892 483822980 /nfs/dbraw/zinc/82/29/80/483822980.db2.gz KXXLJRUHEAIMBW-QMMMGPOBSA-N -1 0 353.299 -0.135 20 0 FBADRM CCOC1(CS(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-])CCOCC1 ZINC000600652450 483822887 /nfs/dbraw/zinc/82/28/87/483822887.db2.gz UIZDOBGJJURGJN-JTQLQIEISA-N -1 0 353.393 -0.492 20 0 FBADRM COC(=O)c1cc(F)cc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c1F ZINC000600653003 483823218 /nfs/dbraw/zinc/82/32/18/483823218.db2.gz XKPMCYUZMVKNFM-QMMMGPOBSA-N -1 0 353.299 -0.135 20 0 FBADRM COC(=O)c1cc(F)cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1F ZINC000600653012 483823347 /nfs/dbraw/zinc/82/33/47/483823347.db2.gz XWLFKECNXOBLJR-SSDOTTSWSA-N -1 0 366.298 -0.642 20 0 FBADRM COC(=O)c1cc(F)cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1F ZINC000600653014 483823308 /nfs/dbraw/zinc/82/33/08/483823308.db2.gz XWLFKECNXOBLJR-ZETCQYMHSA-N -1 0 366.298 -0.642 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1cc(C(F)(F)F)nn1C)C(=O)[O-] ZINC000600653032 483823145 /nfs/dbraw/zinc/82/31/45/483823145.db2.gz YHODIMDZFKBWFJ-YFKPBYRVSA-N -1 0 359.282 -0.267 20 0 FBADRM CCOC1(CS(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])CCOCC1 ZINC000600653063 483823183 /nfs/dbraw/zinc/82/31/83/483823183.db2.gz ZHJAPHYXLJLXST-NSHDSACASA-N -1 0 367.420 -0.102 20 0 FBADRM CCOC1(CS(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])CCOCC1 ZINC000600654485 483823175 /nfs/dbraw/zinc/82/31/75/483823175.db2.gz WRKPQAOLBUVXFL-KPWVOAKYSA-N -1 0 369.461 -0.581 20 0 FBADRM CCOC1(CS(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])CCOCC1 ZINC000600654486 483822937 /nfs/dbraw/zinc/82/29/37/483822937.db2.gz WRKPQAOLBUVXFL-RKFFSXRUSA-N -1 0 369.461 -0.581 20 0 FBADRM CCOC1(CS(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])CCOCC1 ZINC000600654487 483823226 /nfs/dbraw/zinc/82/32/26/483823226.db2.gz WRKPQAOLBUVXFL-SAHAZLINSA-N -1 0 369.461 -0.581 20 0 FBADRM CCOC1(CS(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])CCOCC1 ZINC000600654488 483823350 /nfs/dbraw/zinc/82/33/50/483823350.db2.gz WRKPQAOLBUVXFL-XFNZEKPQSA-N -1 0 369.461 -0.581 20 0 FBADRM COC(=O)c1cc(F)cc(S(=O)(=O)N(CCO)CC(=O)[O-])c1F ZINC000600654557 483823339 /nfs/dbraw/zinc/82/33/39/483823339.db2.gz ZVGVYOUSHSXHSF-UHFFFAOYSA-N -1 0 353.299 -0.181 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2C[C@H](OC)C[C@]2(C)C(=O)[O-])cn1 ZINC000600656517 483822458 /nfs/dbraw/zinc/82/24/58/483822458.db2.gz FISWZMVJZXRFTO-NOZJJQNGSA-N -1 0 361.376 -0.691 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2C[C@H](OC)C[C@@]2(C)C(=O)[O-])cn1 ZINC000600656520 483822616 /nfs/dbraw/zinc/82/26/16/483822616.db2.gz FISWZMVJZXRFTO-RNCFNFMXSA-N -1 0 361.376 -0.691 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2C[C@@H](OC)C[C@]2(C)C(=O)[O-])cn1 ZINC000600656523 483822463 /nfs/dbraw/zinc/82/24/63/483822463.db2.gz FISWZMVJZXRFTO-TVQRCGJNSA-N -1 0 361.376 -0.691 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2C[C@@H](OC)C[C@@]2(C)C(=O)[O-])cn1 ZINC000600656526 483822632 /nfs/dbraw/zinc/82/26/32/483822632.db2.gz FISWZMVJZXRFTO-ZANVPECISA-N -1 0 361.376 -0.691 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])cn1 ZINC000600656628 483822620 /nfs/dbraw/zinc/82/26/20/483822620.db2.gz JTMNJRIFXHEGLE-QMMMGPOBSA-N -1 0 353.303 -0.461 20 0 FBADRM CCOC1(CS(=O)(=O)N[C@H](CCC(=O)OC)C(=O)[O-])CCOCC1 ZINC000600656942 483822663 /nfs/dbraw/zinc/82/26/63/483822663.db2.gz ZHJAPHYXLJLXST-LLVKDONJSA-N -1 0 367.420 -0.102 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000600657658 483822397 /nfs/dbraw/zinc/82/23/97/483822397.db2.gz RNSGGLPWLITHEI-UHFFFAOYSA-N -1 0 374.419 -0.244 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1 ZINC000600657772 483822717 /nfs/dbraw/zinc/82/27/17/483822717.db2.gz ULKORAYOILEJAX-VIFPVBQESA-N -1 0 356.347 -0.090 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])cn1 ZINC000600657796 483822587 /nfs/dbraw/zinc/82/25/87/483822587.db2.gz JTMNJRIFXHEGLE-MRVPVSSYSA-N -1 0 353.303 -0.461 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2C[C@H](OC)C[C@]2(C)C(=O)[O-])CC1 ZINC000600657827 483822435 /nfs/dbraw/zinc/82/24/35/483822435.db2.gz KFPUBTMQEXZHFY-BXUZGUMPSA-N -1 0 364.420 -0.320 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2C[C@@H](OC)C[C@@]2(C)C(=O)[O-])CC1 ZINC000600657839 483822500 /nfs/dbraw/zinc/82/25/00/483822500.db2.gz KFPUBTMQEXZHFY-FZMZJTMJSA-N -1 0 364.420 -0.320 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2C[C@H](OC)C[C@@]2(C)C(=O)[O-])CC1 ZINC000600657840 483822606 /nfs/dbraw/zinc/82/26/06/483822606.db2.gz KFPUBTMQEXZHFY-RISCZKNCSA-N -1 0 364.420 -0.320 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2C[C@@H](OC)C[C@]2(C)C(=O)[O-])CC1 ZINC000600657841 483822570 /nfs/dbraw/zinc/82/25/70/483822570.db2.gz KFPUBTMQEXZHFY-SMDDNHRTSA-N -1 0 364.420 -0.320 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cn1 ZINC000600657885 483823104 /nfs/dbraw/zinc/82/31/04/483823104.db2.gz VQTNAEXFPODUEN-UHFFFAOYSA-N -1 0 374.419 -0.774 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000600657955 483823228 /nfs/dbraw/zinc/82/32/28/483823228.db2.gz WXWDQEBDYLXEAH-UHFFFAOYSA-N -1 0 350.437 -0.004 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)c[nH]1 ZINC000600658232 483823247 /nfs/dbraw/zinc/82/32/47/483823247.db2.gz ZKYMCBMBMPXJDR-UHFFFAOYSA-N -1 0 359.404 -0.029 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)NCc2ncc(C(=O)[O-])cn2)CC1 ZINC000600659749 483822977 /nfs/dbraw/zinc/82/29/77/483822977.db2.gz QITXBCVVCUXGCL-UHFFFAOYSA-N -1 0 372.403 -0.216 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCc1ncc(C(=O)[O-])cn1 ZINC000600659988 483822898 /nfs/dbraw/zinc/82/28/98/483822898.db2.gz SUIFJHDDFUGESO-JTQLQIEISA-N -1 0 358.376 -0.463 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCc1ncc(C(=O)[O-])cn1 ZINC000600659992 483823201 /nfs/dbraw/zinc/82/32/01/483823201.db2.gz SUIFJHDDFUGESO-SNVBAGLBSA-N -1 0 358.376 -0.463 20 0 FBADRM CCOC1(CS(=O)(=O)N[C@H](CC(=O)OC)C(=O)[O-])CCOCC1 ZINC000600660385 483823301 /nfs/dbraw/zinc/82/33/01/483823301.db2.gz UIZDOBGJJURGJN-SNVBAGLBSA-N -1 0 353.393 -0.492 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)NCc2ncc(C(=O)[O-])cn2)CC1 ZINC000600660407 483823334 /nfs/dbraw/zinc/82/33/34/483823334.db2.gz UIXRYBGBVQUJQV-UHFFFAOYSA-N -1 0 358.376 -0.606 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCc2ncc(C(=O)[O-])cn2)C1 ZINC000600660408 483822884 /nfs/dbraw/zinc/82/28/84/483822884.db2.gz UKAMADUBWKAPTP-JTQLQIEISA-N -1 0 372.403 -0.216 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCc2ncc(C(=O)[O-])cn2)C1 ZINC000600660409 483823338 /nfs/dbraw/zinc/82/33/38/483823338.db2.gz UKAMADUBWKAPTP-SNVBAGLBSA-N -1 0 372.403 -0.216 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)NCc2ncc(C(=O)[O-])cn2)cn1 ZINC000600660447 483823311 /nfs/dbraw/zinc/82/33/11/483823311.db2.gz VJOGURFZACYNIL-UHFFFAOYSA-N -1 0 355.332 -0.977 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC000600660662 483823256 /nfs/dbraw/zinc/82/32/56/483823256.db2.gz RXAXNJJPRNTERD-COPLHBTASA-N -1 0 364.420 -0.177 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000600660664 483823287 /nfs/dbraw/zinc/82/32/87/483823287.db2.gz RXAXNJJPRNTERD-MJVIPROJSA-N -1 0 364.420 -0.177 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000600660665 483822974 /nfs/dbraw/zinc/82/29/74/483822974.db2.gz RXAXNJJPRNTERD-SUNKGSAMSA-N -1 0 364.420 -0.177 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC000600660666 483822962 /nfs/dbraw/zinc/82/29/62/483822962.db2.gz RXAXNJJPRNTERD-UHIISALHSA-N -1 0 364.420 -0.177 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1 ZINC000600661214 483823149 /nfs/dbraw/zinc/82/31/49/483823149.db2.gz ULKORAYOILEJAX-SECBINFHSA-N -1 0 356.347 -0.090 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)nn1C)C(=O)[O-] ZINC000600661352 483823062 /nfs/dbraw/zinc/82/30/62/483823062.db2.gz YHODIMDZFKBWFJ-RXMQYKEDSA-N -1 0 359.282 -0.267 20 0 FBADRM Cn1cc(I)c([N-]S(=O)(=O)c2cnnn2C)n1 ZINC000600667198 483823326 /nfs/dbraw/zinc/82/33/26/483823326.db2.gz BMQLIJYNHJHOCT-UHFFFAOYSA-N -1 0 368.160 -0.046 20 0 FBADRM COC(=O)c1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1cnnn1C ZINC000600669315 483822922 /nfs/dbraw/zinc/82/29/22/483822922.db2.gz ZUJPGWCKTWRZDT-UHFFFAOYSA-N -1 0 374.400 -0.194 20 0 FBADRM CSc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]2C)n[nH]1 ZINC000600765933 483825696 /nfs/dbraw/zinc/82/56/96/483825696.db2.gz GDHNOYUSSFPSRV-HTQZYQBOSA-N -1 0 369.494 -0.014 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)C[C@H](C)O1 ZINC000600796290 483825999 /nfs/dbraw/zinc/82/59/99/483825999.db2.gz HAAJRWRVWGTTIZ-BJDJZHNGSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)C[C@@H](C)O1 ZINC000600796301 483825974 /nfs/dbraw/zinc/82/59/74/483825974.db2.gz HAAJRWRVWGTTIZ-KKOKHZNYSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)C[C@H](C)O1 ZINC000600796302 483825868 /nfs/dbraw/zinc/82/58/68/483825868.db2.gz HAAJRWRVWGTTIZ-KXNHARMFSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C[C@@H](C)O1 ZINC000600796304 483825970 /nfs/dbraw/zinc/82/59/70/483825970.db2.gz HAAJRWRVWGTTIZ-QCNOEVLYSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)C[C@H](C)O1 ZINC000600796306 483826020 /nfs/dbraw/zinc/82/60/20/483826020.db2.gz HAAJRWRVWGTTIZ-RHYQMDGZSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)C[C@@H](C)O1 ZINC000600796308 483826294 /nfs/dbraw/zinc/82/62/94/483826294.db2.gz HAAJRWRVWGTTIZ-USZNOCQGSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)C[C@@H](C)O1 ZINC000600796309 483826548 /nfs/dbraw/zinc/82/65/48/483826548.db2.gz HAAJRWRVWGTTIZ-WYUUTHIRSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C[C@H](C)O1 ZINC000600796310 483826408 /nfs/dbraw/zinc/82/64/08/483826408.db2.gz HAAJRWRVWGTTIZ-YFKTTZPYSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)C[C@@H](C)O1 ZINC000600796361 483826335 /nfs/dbraw/zinc/82/63/35/483826335.db2.gz HQULYVCGYYJVGG-AGIUHOORSA-N -1 0 370.402 -0.121 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)C[C@@H](C)O1 ZINC000600796362 483826376 /nfs/dbraw/zinc/82/63/76/483826376.db2.gz HQULYVCGYYJVGG-UPJWGTAASA-N -1 0 370.402 -0.121 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C[C@@H](C)O1 ZINC000600796517 483826325 /nfs/dbraw/zinc/82/63/25/483826325.db2.gz IAPZRJALEOAYPT-UTUOFQBUSA-N -1 0 356.375 -0.511 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C[C@@H](C)O1 ZINC000600796519 483826490 /nfs/dbraw/zinc/82/64/90/483826490.db2.gz IAPZRJALEOAYPT-WOPDTQHZSA-N -1 0 356.375 -0.511 20 0 FBADRM COC(=O)[C@H](O)C1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC000600796772 483826246 /nfs/dbraw/zinc/82/62/46/483826246.db2.gz JQUPIVSWAMYHGP-CYZMBNFOSA-N -1 0 370.402 -0.672 20 0 FBADRM COC(=O)[C@H](O)C1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC000600796774 483826270 /nfs/dbraw/zinc/82/62/70/483826270.db2.gz JQUPIVSWAMYHGP-KGYLQXTDSA-N -1 0 370.402 -0.672 20 0 FBADRM COC(=O)[C@H](O)C1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC000600796775 483826539 /nfs/dbraw/zinc/82/65/39/483826539.db2.gz JQUPIVSWAMYHGP-RAIGVLPGSA-N -1 0 370.402 -0.672 20 0 FBADRM COC(=O)[C@H](O)C1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC000600796777 483826521 /nfs/dbraw/zinc/82/65/21/483826521.db2.gz JQUPIVSWAMYHGP-WCFLWFBJSA-N -1 0 370.402 -0.672 20 0 FBADRM COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)C1 ZINC000600797255 483826517 /nfs/dbraw/zinc/82/65/17/483826517.db2.gz LRPOOIBEKADRLY-GRYCIOLGSA-N -1 0 372.443 -0.080 20 0 FBADRM COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC000600797270 483826507 /nfs/dbraw/zinc/82/65/07/483826507.db2.gz LRPOOIBEKADRLY-SDDRHHMPSA-N -1 0 372.443 -0.080 20 0 FBADRM COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC000600797275 483826303 /nfs/dbraw/zinc/82/63/03/483826303.db2.gz LRPOOIBEKADRLY-SRVKXCTJSA-N -1 0 372.443 -0.080 20 0 FBADRM COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)C1 ZINC000600797277 483826480 /nfs/dbraw/zinc/82/64/80/483826480.db2.gz LRPOOIBEKADRLY-WOPDTQHZSA-N -1 0 372.443 -0.080 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000600797912 483826308 /nfs/dbraw/zinc/82/63/08/483826308.db2.gz OABVYXSMIVGXGQ-KKOKHZNYSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)C[C@@H](C)O1 ZINC000600797913 483826562 /nfs/dbraw/zinc/82/65/62/483826562.db2.gz OABVYXSMIVGXGQ-QCNOEVLYSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000600797914 483826363 /nfs/dbraw/zinc/82/63/63/483826363.db2.gz OABVYXSMIVGXGQ-USZNOCQGSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000600797915 483826428 /nfs/dbraw/zinc/82/64/28/483826428.db2.gz OABVYXSMIVGXGQ-WYUUTHIRSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000600798631 483826871 /nfs/dbraw/zinc/82/68/71/483826871.db2.gz RPJWWOGLGCEIFE-KKOKHZNYSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000600798632 483826772 /nfs/dbraw/zinc/82/67/72/483826772.db2.gz RPJWWOGLGCEIFE-QCNOEVLYSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000600798633 483826844 /nfs/dbraw/zinc/82/68/44/483826844.db2.gz RPJWWOGLGCEIFE-USZNOCQGSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000600798635 483826945 /nfs/dbraw/zinc/82/69/45/483826945.db2.gz RPJWWOGLGCEIFE-WYUUTHIRSA-N -1 0 356.375 -0.656 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)C[C@@H](C)O1 ZINC000600798666 483826735 /nfs/dbraw/zinc/82/67/35/483826735.db2.gz RYIPHXUWAJKVPC-YPMHNXCESA-N -1 0 370.402 -0.121 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CCO1 ZINC000600799723 483826895 /nfs/dbraw/zinc/82/68/95/483826895.db2.gz FUOAMXRKHNUHFP-IJLUTSLNSA-N -1 0 356.375 -0.654 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CCO1 ZINC000600799733 483826722 /nfs/dbraw/zinc/82/67/22/483826722.db2.gz FUOAMXRKHNUHFP-QJPTWQEYSA-N -1 0 356.375 -0.654 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CCO1 ZINC000600799735 483826869 /nfs/dbraw/zinc/82/68/69/483826869.db2.gz FUOAMXRKHNUHFP-TUAOUCFPSA-N -1 0 356.375 -0.654 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CCO1 ZINC000600799737 483826855 /nfs/dbraw/zinc/82/68/55/483826855.db2.gz FUOAMXRKHNUHFP-UTUOFQBUSA-N -1 0 356.375 -0.654 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C[C@@H](C)O1 ZINC000600799912 483826708 /nfs/dbraw/zinc/82/67/08/483826708.db2.gz ZWSRKYBBYZVXRL-MNOVXSKESA-N -1 0 356.375 -0.511 20 0 FBADRM COC(=O)CCNC(=O)CCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000600839260 483827106 /nfs/dbraw/zinc/82/71/06/483827106.db2.gz KKQCTBNXSDAVGE-UHFFFAOYSA-N -1 0 362.342 -0.171 20 0 FBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000600868249 483827742 /nfs/dbraw/zinc/82/77/42/483827742.db2.gz BWGVCHJBBAIIKV-MXWKQRLJSA-N -1 0 368.477 -0.252 20 0 FBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000600868286 483827807 /nfs/dbraw/zinc/82/78/07/483827807.db2.gz BWGVCHJBBAIIKV-VWYCJHECSA-N -1 0 368.477 -0.252 20 0 FBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC000600868437 483827492 /nfs/dbraw/zinc/82/74/92/483827492.db2.gz DFVXUGWITFAWNA-GWCFXTLKSA-N -1 0 368.477 -0.251 20 0 FBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC000600868445 483827823 /nfs/dbraw/zinc/82/78/23/483827823.db2.gz DFVXUGWITFAWNA-GXFFZTMASA-N -1 0 368.477 -0.251 20 0 FBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC000600868446 483827798 /nfs/dbraw/zinc/82/77/98/483827798.db2.gz DFVXUGWITFAWNA-MFKMUULPSA-N -1 0 368.477 -0.251 20 0 FBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC000600868447 483827662 /nfs/dbraw/zinc/82/76/62/483827662.db2.gz DFVXUGWITFAWNA-ZWNOBZJWSA-N -1 0 368.477 -0.251 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CC1 ZINC000600928855 483829812 /nfs/dbraw/zinc/82/98/12/483829812.db2.gz OIIGZPZVIPPQOQ-UHFFFAOYSA-N -1 0 359.386 -0.124 20 0 FBADRM O=C(NCCN1CCCS1(=O)=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000600978410 484040547 /nfs/dbraw/zinc/04/05/47/484040547.db2.gz GDDZWXISSAIDJI-UHFFFAOYSA-N -1 0 352.372 -0.205 20 0 FBADRM CN1CCN(CC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000600986317 484056352 /nfs/dbraw/zinc/05/63/52/484056352.db2.gz SXBBKRVIYPYAHX-GOSISDBHSA-N -1 0 359.430 -0.395 20 0 FBADRM CN1CCN(CC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000600986318 484057576 /nfs/dbraw/zinc/05/75/76/484057576.db2.gz SXBBKRVIYPYAHX-SFHVURJKSA-N -1 0 359.430 -0.395 20 0 FBADRM C[NH+]1CCN(C[C@H](NC(=O)CN2CC(=O)NC2=O)c2ccccc2)CC1 ZINC000600992311 484057194 /nfs/dbraw/zinc/05/71/94/484057194.db2.gz LHHLBIVGCJEYHI-HNNXBMFYSA-N -1 0 359.430 -0.357 20 0 FBADRM C[NH+]1CCN(C[C@@H](NC(=O)CN2CC(=O)NC2=O)c2ccccc2)CC1 ZINC000600992312 484056270 /nfs/dbraw/zinc/05/62/70/484056270.db2.gz LHHLBIVGCJEYHI-OAHLLOKOSA-N -1 0 359.430 -0.357 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000600992751 484057778 /nfs/dbraw/zinc/05/77/78/484057778.db2.gz ZMFURONGNZIADJ-UHFFFAOYSA-N -1 0 355.362 -0.556 20 0 FBADRM CN1CCO[C@@H](CS(=O)(=O)[N-][C@@]2(C(=O)OC(C)(C)C)CCOC2)C1 ZINC000601462878 483543013 /nfs/dbraw/zinc/54/30/13/483543013.db2.gz DKTUWNYHEHWJRJ-DOMZBBRYSA-N -1 0 364.464 -0.263 20 0 FBADRM CN1CCO[C@@H](CS(=O)(=O)[N-][C@]2(C(=O)OC(C)(C)C)CCOC2)C1 ZINC000601462879 483543467 /nfs/dbraw/zinc/54/34/67/483543467.db2.gz DKTUWNYHEHWJRJ-IUODEOHRSA-N -1 0 364.464 -0.263 20 0 FBADRM CN1CCO[C@H](CS(=O)(=O)[N-][C@]2(C(=O)OC(C)(C)C)CCOC2)C1 ZINC000601462880 483543325 /nfs/dbraw/zinc/54/33/25/483543325.db2.gz DKTUWNYHEHWJRJ-SWLSCSKDSA-N -1 0 364.464 -0.263 20 0 FBADRM CN1CCO[C@H](CS(=O)(=O)[N-][C@@]2(C(=O)OC(C)(C)C)CCOC2)C1 ZINC000601462881 483543816 /nfs/dbraw/zinc/54/38/16/483543816.db2.gz DKTUWNYHEHWJRJ-WFASDCNBSA-N -1 0 364.464 -0.263 20 0 FBADRM Cc1ccc(-n2[n-]nnc2=NCCN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000601513951 483829278 /nfs/dbraw/zinc/82/92/78/483829278.db2.gz ZREAKCQDRLCMAA-UHFFFAOYSA-N -1 0 365.463 -0.618 20 0 FBADRM CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3n[nH]c(=O)[n-]3)cn2)CC1 ZINC000601828664 483832415 /nfs/dbraw/zinc/83/24/15/483832415.db2.gz XPYKKTHEYRHQHY-UHFFFAOYSA-N -1 0 367.391 -0.761 20 0 FBADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000601997474 483833977 /nfs/dbraw/zinc/83/39/77/483833977.db2.gz SDDMQENQONQZJX-NEPJUHHUSA-N -1 0 371.459 -0.126 20 0 FBADRM C[C@@H](S[C@@H](C)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000601997478 483834113 /nfs/dbraw/zinc/83/41/13/483834113.db2.gz SDDMQENQONQZJX-NWDGAFQWSA-N -1 0 371.459 -0.126 20 0 FBADRM C[C@H](S[C@@H](C)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000601997482 483833967 /nfs/dbraw/zinc/83/39/67/483833967.db2.gz SDDMQENQONQZJX-RYUDHWBXSA-N -1 0 371.459 -0.126 20 0 FBADRM C[C@@H](S[C@H](C)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000601997485 483834149 /nfs/dbraw/zinc/83/41/49/483834149.db2.gz SDDMQENQONQZJX-VXGBXAGGSA-N -1 0 371.459 -0.126 20 0 FBADRM C[C@@H](S[C@H](C)C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1)C(=O)[O-] ZINC000602008412 483833876 /nfs/dbraw/zinc/83/38/76/483833876.db2.gz LNXVYGVVECCSSD-GHMZBOCLSA-N -1 0 367.493 -0.078 20 0 FBADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000602008413 483834011 /nfs/dbraw/zinc/83/40/11/483834011.db2.gz LNXVYGVVECCSSD-MNOVXSKESA-N -1 0 367.493 -0.078 20 0 FBADRM C[C@H](S[C@@H](C)C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1)C(=O)[O-] ZINC000602008414 483833878 /nfs/dbraw/zinc/83/38/78/483833878.db2.gz LNXVYGVVECCSSD-QWRGUYRKSA-N -1 0 367.493 -0.078 20 0 FBADRM C[C@@H](S[C@@H](C)C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1)C(=O)[O-] ZINC000602008415 483833889 /nfs/dbraw/zinc/83/38/89/483833889.db2.gz LNXVYGVVECCSSD-WDEREUQCSA-N -1 0 367.493 -0.078 20 0 FBADRM C[C@@H](S[C@H](C)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1)C(=O)[O-] ZINC000602012099 483833974 /nfs/dbraw/zinc/83/39/74/483833974.db2.gz XVTTYEWNHNGTTF-NXEZZACHSA-N -1 0 353.466 -0.468 20 0 FBADRM C[C@H](S[C@@H](C)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1)C(=O)[O-] ZINC000602012100 483834117 /nfs/dbraw/zinc/83/41/17/483834117.db2.gz XVTTYEWNHNGTTF-UWVGGRQHSA-N -1 0 353.466 -0.468 20 0 FBADRM C[C@@H](S[C@@H](C)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1)C(=O)[O-] ZINC000602012101 483833981 /nfs/dbraw/zinc/83/39/81/483833981.db2.gz XVTTYEWNHNGTTF-VHSXEESVSA-N -1 0 353.466 -0.468 20 0 FBADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000602012102 483834062 /nfs/dbraw/zinc/83/40/62/483834062.db2.gz XVTTYEWNHNGTTF-ZJUUUORDSA-N -1 0 353.466 -0.468 20 0 FBADRM O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1n[nH]c(=O)[n-]1 ZINC000602520289 483840306 /nfs/dbraw/zinc/84/03/06/483840306.db2.gz GHMQCGLMDIBAJZ-LLVKDONJSA-N -1 0 374.405 -0.464 20 0 FBADRM O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1n[nH]c(=O)[n-]1 ZINC000602520290 483840494 /nfs/dbraw/zinc/84/04/94/483840494.db2.gz GHMQCGLMDIBAJZ-NSHDSACASA-N -1 0 374.405 -0.464 20 0 FBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1c(I)cnn1C ZINC000603082331 483846712 /nfs/dbraw/zinc/84/67/12/483846712.db2.gz IPPCDLGLEKOYPK-UHFFFAOYSA-N -1 0 363.115 -0.027 20 0 FBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1nn(C)cc1I ZINC000603083088 483846632 /nfs/dbraw/zinc/84/66/32/483846632.db2.gz LOOBQXKPJCMAEQ-UHFFFAOYSA-N -1 0 363.115 -0.027 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000603480492 483851621 /nfs/dbraw/zinc/85/16/21/483851621.db2.gz ZAGYQOGIHKUSEB-SECBINFHSA-N -1 0 367.387 -0.410 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000603480493 483851741 /nfs/dbraw/zinc/85/17/41/483851741.db2.gz ZAGYQOGIHKUSEB-VIFPVBQESA-N -1 0 367.387 -0.410 20 0 FBADRM O=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)c1n[nH]c(=O)[n-]1 ZINC000603549683 483852838 /nfs/dbraw/zinc/85/28/38/483852838.db2.gz ILAQCJYAPAPJMF-UHFFFAOYSA-N -1 0 350.423 -0.035 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nc3ncccn3n2)cc1 ZINC000603629169 483763281 /nfs/dbraw/zinc/76/32/81/483763281.db2.gz MQNHUJPQWJHKTA-UHFFFAOYSA-N -1 0 354.373 -0.428 20 0 FBADRM CCNC(=O)CNC(=O)c1ccc(-n2[n-]c(CC(=O)OC)cc2=O)cc1 ZINC000603785086 483855797 /nfs/dbraw/zinc/85/57/97/483855797.db2.gz QGMRHXCSPXHJIV-UHFFFAOYSA-N -1 0 360.370 -0.253 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(CCNC(C)=O)cc1)C(=O)[O-] ZINC000603972779 483858299 /nfs/dbraw/zinc/85/82/99/483858299.db2.gz MFJMLETUHVHLCQ-ZDUSSCGKSA-N -1 0 372.399 -0.340 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)OC)c2)cn1 ZINC000603982452 483858762 /nfs/dbraw/zinc/85/87/62/483858762.db2.gz BPCLEDOUQXAIMI-UHFFFAOYSA-N -1 0 368.371 -0.078 20 0 FBADRM Cc1nn2c(S[C@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)n[n-]c2nc1=O ZINC000604143653 483860499 /nfs/dbraw/zinc/86/04/99/483860499.db2.gz GXRABYRDYBAPJY-BDAKNGLRSA-N -1 0 365.419 -0.674 20 0 FBADRM Cc1nn2c(S[C@@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)n[n-]c2nc1=O ZINC000604143657 483860533 /nfs/dbraw/zinc/86/05/33/483860533.db2.gz GXRABYRDYBAPJY-DTWKUNHWSA-N -1 0 365.419 -0.674 20 0 FBADRM Cc1nn2c(S[C@@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)n[n-]c2nc1=O ZINC000604143658 483860508 /nfs/dbraw/zinc/86/05/08/483860508.db2.gz GXRABYRDYBAPJY-IUCAKERBSA-N -1 0 365.419 -0.674 20 0 FBADRM Cc1nn2c(S[C@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)n[n-]c2nc1=O ZINC000604143659 483860537 /nfs/dbraw/zinc/86/05/37/483860537.db2.gz GXRABYRDYBAPJY-RKDXNWHRSA-N -1 0 365.419 -0.674 20 0 FBADRM Cc1nn2c(SCC(=O)N3CCCC[C@@H]3C(N)=O)n[n-]c2nc1=O ZINC000604143852 483860633 /nfs/dbraw/zinc/86/06/33/483860633.db2.gz RQPFWCZTGCKXAC-MRVPVSSYSA-N -1 0 351.392 -0.920 20 0 FBADRM Cc1nn2c(SCC(=O)N3CCCC[C@H]3C(N)=O)n[n-]c2nc1=O ZINC000604143853 483860601 /nfs/dbraw/zinc/86/06/01/483860601.db2.gz RQPFWCZTGCKXAC-QMMMGPOBSA-N -1 0 351.392 -0.920 20 0 FBADRM CC(=O)N[C@H]1CCCN(C(=O)CSc2n[n-]c3nc(=O)c(C)nn32)C1 ZINC000604143894 483860661 /nfs/dbraw/zinc/86/06/61/483860661.db2.gz XMTNTTSBFNFOIW-JTQLQIEISA-N -1 0 365.419 -0.660 20 0 FBADRM CC(=O)N[C@@H]1CCCN(C(=O)CSc2n[n-]c3nc(=O)c(C)nn32)C1 ZINC000604143897 483860606 /nfs/dbraw/zinc/86/06/06/483860606.db2.gz XMTNTTSBFNFOIW-SNVBAGLBSA-N -1 0 365.419 -0.660 20 0 FBADRM CCCNC(=O)CN(C)C(=O)CSc1n[n-]c2nc(=O)c(C)nn12 ZINC000604144938 483861113 /nfs/dbraw/zinc/86/11/13/483861113.db2.gz GFUFULWDKIIQPI-UHFFFAOYSA-N -1 0 353.408 -0.802 20 0 FBADRM Cc1nn2c(SCC(=O)NCC(=O)NC(C)(C)C)n[n-]c2nc1=O ZINC000604144983 483861090 /nfs/dbraw/zinc/86/10/90/483861090.db2.gz IOBBFPJUJMOJFC-UHFFFAOYSA-N -1 0 353.408 -0.756 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1 ZINC000604902444 483875798 /nfs/dbraw/zinc/87/57/98/483875798.db2.gz UYKZTHUULZCEAB-LLVKDONJSA-N -1 0 352.372 -0.206 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1 ZINC000604902445 483875955 /nfs/dbraw/zinc/87/59/55/483875955.db2.gz UYKZTHUULZCEAB-NSHDSACASA-N -1 0 352.372 -0.206 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]c1ccn(CC(=O)N2CCOCC2)n1 ZINC000604972208 483880917 /nfs/dbraw/zinc/88/09/17/483880917.db2.gz FTVFAUNAPZMHKF-UHFFFAOYSA-N -1 0 354.392 -0.724 20 0 FBADRM Cn1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)N3CCOCC3)n2)n1 ZINC000604972313 483881049 /nfs/dbraw/zinc/88/10/49/483881049.db2.gz NXDKAIHGEFPGMJ-UHFFFAOYSA-N -1 0 354.392 -0.724 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]c2ccn(CC(=O)N3CCOCC3)n2)c1 ZINC000604972334 483880874 /nfs/dbraw/zinc/88/08/74/483880874.db2.gz PNVKTHAJATYXSJ-UHFFFAOYSA-N -1 0 354.392 -0.724 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2ccn(CC(=O)N3CCOCC3)n2)cn1 ZINC000604972357 483881033 /nfs/dbraw/zinc/88/10/33/483881033.db2.gz RXEPEQQDHAIVKV-UHFFFAOYSA-N -1 0 354.392 -0.724 20 0 FBADRM NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)n1 ZINC000605118757 483883828 /nfs/dbraw/zinc/88/38/28/483883828.db2.gz AOQKRIYEAJHKOC-UHFFFAOYSA-N -1 0 362.375 -0.465 20 0 FBADRM NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)n1 ZINC000605118791 483883974 /nfs/dbraw/zinc/88/39/74/483883974.db2.gz GZMBSXUQWHXELG-UHFFFAOYSA-N -1 0 363.399 -0.155 20 0 FBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccn(CCC(N)=O)n1 ZINC000605118798 483883835 /nfs/dbraw/zinc/88/38/35/483883835.db2.gz IJFHBHYAYXBGGS-UHFFFAOYSA-N -1 0 372.428 -0.037 20 0 FBADRM NC(=O)CCn1ccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)n1 ZINC000605118815 483883887 /nfs/dbraw/zinc/88/38/87/483883887.db2.gz KMYATTKACBNLDJ-UHFFFAOYSA-N -1 0 362.375 -0.465 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)cc1C(N)=O ZINC000605119029 483883934 /nfs/dbraw/zinc/88/39/34/483883934.db2.gz ZZHDEJOKUOVXEJ-UHFFFAOYSA-N -1 0 351.388 -0.033 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)C2=O)cn1 ZINC000605133791 483884380 /nfs/dbraw/zinc/88/43/80/483884380.db2.gz ZFAFZBZKDDETNV-LLVKDONJSA-N -1 0 369.341 -0.295 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)C2=O)cn1 ZINC000605133792 483884422 /nfs/dbraw/zinc/88/44/22/483884422.db2.gz ZFAFZBZKDDETNV-NSHDSACASA-N -1 0 369.341 -0.295 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NC3(c4nnn[n-]4)CCCC3)nc2n(C)c1=O ZINC000605381689 483660370 /nfs/dbraw/zinc/66/03/70/483660370.db2.gz NDVJWXTWENOJCK-UHFFFAOYSA-N -1 0 370.373 -0.655 20 0 FBADRM O=C(COCC(=O)NC1(c2nnn[n-]2)CCCC1)NCc1cccnc1 ZINC000605381958 483660219 /nfs/dbraw/zinc/66/02/19/483660219.db2.gz MGQBHCGUMHLCHX-UHFFFAOYSA-N -1 0 359.390 -0.187 20 0 FBADRM CC1(C)C(=O)NC(=O)N1CC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000605425609 660110337 /nfs/dbraw/zinc/11/03/37/660110337.db2.gz GXJYZOWCWNVKSR-UHFFFAOYSA-N -1 0 362.393 -0.822 20 0 FBADRM CN1CCN(C(=O)c2ccccc2NC(=O)CN2CC(=O)NC2=O)CC1 ZINC000605500712 483831433 /nfs/dbraw/zinc/83/14/33/483831433.db2.gz CYMVRGBWSVGCRO-UHFFFAOYSA-N -1 0 359.386 -0.436 20 0 FBADRM CCN1CCN(C(=O)c2ccc(NC(=O)CN3CC(=O)NC3=O)cc2)CC1 ZINC000605504793 483831089 /nfs/dbraw/zinc/83/10/89/483831089.db2.gz LSXNYHQMLSYOQW-UHFFFAOYSA-N -1 0 373.413 -0.045 20 0 FBADRM Cn1c(=O)c2cc(C(=O)NC3(c4nnn[n-]4)CCCC3)cnc2n(C)c1=O ZINC000605530125 483831842 /nfs/dbraw/zinc/83/18/42/483831842.db2.gz IUFAOQOJEOYKNW-UHFFFAOYSA-N -1 0 370.373 -0.655 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NC2(c3nnn[n-]3)CCCC2)cn1C ZINC000605530918 483831643 /nfs/dbraw/zinc/83/16/43/483831643.db2.gz CLDSKWGCHJPZRG-UHFFFAOYSA-N -1 0 368.423 -0.894 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)NC3(c4nnn[n-]4)CCCC3)cnc21 ZINC000605532208 483831685 /nfs/dbraw/zinc/83/16/85/483831685.db2.gz RRXMYTFPYQRWCF-UHFFFAOYSA-N -1 0 356.346 -0.254 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)NC2(c3nnn[n-]3)CCCC2)c1 ZINC000605532218 483831812 /nfs/dbraw/zinc/83/18/12/483831812.db2.gz SHTCFVNGORDFBS-UHFFFAOYSA-N -1 0 353.408 -0.023 20 0 FBADRM NC(=O)CCNC(=O)c1ccc(F)c([N-]S(=O)(=O)c2c[nH]cn2)c1 ZINC000605653050 483557736 /nfs/dbraw/zinc/55/77/36/483557736.db2.gz DSJRLKOYFPCXLB-UHFFFAOYSA-N -1 0 355.351 -0.045 20 0 FBADRM COc1ccc(C(=O)NCCN2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)cc1 ZINC000605878660 483757774 /nfs/dbraw/zinc/75/77/74/483757774.db2.gz USVIDXOAZXTBLJ-UHFFFAOYSA-N -1 0 374.401 -0.293 20 0 FBADRM CC(C)(C)c1nc(=NC(=O)C(=O)NCCCNS(C)(=O)=O)s[n-]1 ZINC000606013588 483885463 /nfs/dbraw/zinc/88/54/63/483885463.db2.gz CDXWHVIGEHBJLB-UHFFFAOYSA-N -1 0 363.465 -0.749 20 0 FBADRM O=C(N=c1ncn(Cc2ccccc2)[n-]1)C(=O)NCCNc1cnccn1 ZINC000606104996 483886836 /nfs/dbraw/zinc/88/68/36/483886836.db2.gz HILGZAAJALQXFY-UHFFFAOYSA-N -1 0 366.385 -0.873 20 0 FBADRM C[C@H](c1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1)N1CCOCC1 ZINC000606115744 483887183 /nfs/dbraw/zinc/88/71/83/483887183.db2.gz PLZWHTUUUPUVKL-LLVKDONJSA-N -1 0 359.390 -0.152 20 0 FBADRM C[C@@H](c1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1)N1CCOCC1 ZINC000606115745 483887286 /nfs/dbraw/zinc/88/72/86/483887286.db2.gz PLZWHTUUUPUVKL-NSHDSACASA-N -1 0 359.390 -0.152 20 0 FBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000606115997 483887390 /nfs/dbraw/zinc/88/73/90/483887390.db2.gz AJGFEGDFQGDEDB-UHFFFAOYSA-N -1 0 354.334 -0.557 20 0 FBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000606116183 483887326 /nfs/dbraw/zinc/88/73/26/483887326.db2.gz AISHLNXPPRPLEF-UHFFFAOYSA-N -1 0 365.781 -0.055 20 0 FBADRM CSc1cc2c(cc1NC(=O)C(=O)NCc1nnn[n-]1)OCCO2 ZINC000606116196 483887103 /nfs/dbraw/zinc/88/71/03/483887103.db2.gz DVTCGHQHDWARGA-UHFFFAOYSA-N -1 0 350.360 -0.052 20 0 FBADRM CCCNC(=O)[C@H]1CN(C(=O)C(=O)NCc2nnn[n-]2)c2ccccc2O1 ZINC000606116361 483887345 /nfs/dbraw/zinc/88/73/45/483887345.db2.gz HXJIDHYFJKKJCJ-GFCCVEGCSA-N -1 0 373.373 -0.864 20 0 FBADRM CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2nnn[n-]2)c2ccccc2O1 ZINC000606116364 483887239 /nfs/dbraw/zinc/88/72/39/483887239.db2.gz HXJIDHYFJKKJCJ-LBPRGKRZSA-N -1 0 373.373 -0.864 20 0 FBADRM COc1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1N1CCCCC1=O ZINC000606116476 483887380 /nfs/dbraw/zinc/88/73/80/483887380.db2.gz ZQGAFQIXZCLKRE-UHFFFAOYSA-N -1 0 373.373 -0.020 20 0 FBADRM C[C@H](c1cccc(NC(=O)C(=O)NCc2nnn[n-]2)c1)N1CCOCC1 ZINC000606116856 483887447 /nfs/dbraw/zinc/88/74/47/483887447.db2.gz HDFJVVNCJLCBEI-LLVKDONJSA-N -1 0 359.390 -0.152 20 0 FBADRM C[C@@H](c1cccc(NC(=O)C(=O)NCc2nnn[n-]2)c1)N1CCOCC1 ZINC000606116857 483887230 /nfs/dbraw/zinc/88/72/30/483887230.db2.gz HDFJVVNCJLCBEI-NSHDSACASA-N -1 0 359.390 -0.152 20 0 FBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000606117346 483887385 /nfs/dbraw/zinc/88/73/85/483887385.db2.gz KULZVKGXONOKFC-UHFFFAOYSA-N -1 0 359.390 -0.671 20 0 FBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O ZINC000606117906 483887251 /nfs/dbraw/zinc/88/72/51/483887251.db2.gz WUHCYOXDWLGQAY-UHFFFAOYSA-N -1 0 369.341 -0.539 20 0 FBADRM CC(C)(C)c1nc(=NC(=O)C(=O)NCCCN2C(=O)CCC2=O)s[n-]1 ZINC000606127889 483887171 /nfs/dbraw/zinc/88/71/71/483887171.db2.gz PVQKYFOHZMXQPZ-UHFFFAOYSA-N -1 0 367.431 -0.149 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccnc(C(=O)N(C)C)c2)cn1C ZINC000606144528 483887152 /nfs/dbraw/zinc/88/71/52/483887152.db2.gz VDMXWIMTLUCGCE-UHFFFAOYSA-N -1 0 365.415 -0.296 20 0 FBADRM COCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCOC)cc1 ZINC000606342510 483889623 /nfs/dbraw/zinc/88/96/23/483889623.db2.gz RSJWLXRZBPOMBE-UHFFFAOYSA-N -1 0 352.434 -0.001 20 0 FBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000606370920 483889483 /nfs/dbraw/zinc/88/94/83/483889483.db2.gz HSFYOUUFONZUHE-JTQLQIEISA-N -1 0 372.385 -0.818 20 0 FBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000606370921 483889608 /nfs/dbraw/zinc/88/96/08/483889608.db2.gz HSFYOUUFONZUHE-SNVBAGLBSA-N -1 0 372.385 -0.818 20 0 FBADRM COc1cc(S(N)(=O)=O)c(OC)cc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000606827702 483910596 /nfs/dbraw/zinc/91/05/96/483910596.db2.gz ULNIYXFQUHGTEC-UHFFFAOYSA-N -1 0 362.389 -0.125 20 0 FBADRM COc1cc(S(N)(=O)=O)c(OC)cc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000606828066 483910968 /nfs/dbraw/zinc/91/09/68/483910968.db2.gz JBGBMVYKMJURSZ-UHFFFAOYSA-N -1 0 362.389 -0.125 20 0 FBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1)C2=O ZINC000606931557 483913263 /nfs/dbraw/zinc/91/32/63/483913263.db2.gz WBBPXPWIYAFZHI-UHFFFAOYSA-N -1 0 363.355 -0.249 20 0 FBADRM COCCCNC(=O)CN(C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000607045819 484039092 /nfs/dbraw/zinc/03/90/92/484039092.db2.gz DGXFTMNUWCWVDA-UHFFFAOYSA-N -1 0 363.374 -0.031 20 0 FBADRM COCC(=O)N1CCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)CC1 ZINC000607048553 484041377 /nfs/dbraw/zinc/04/13/77/484041377.db2.gz VTCWMIUFIZFQDK-UHFFFAOYSA-N -1 0 361.358 -0.325 20 0 FBADRM CSc1nc(=NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)s[n-]1 ZINC000607051296 484041355 /nfs/dbraw/zinc/04/13/55/484041355.db2.gz UGNMXRISLYHNPY-UHFFFAOYSA-N -1 0 364.412 -0.120 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]c3nnc4ccccn43)cnc21 ZINC000607058324 484043183 /nfs/dbraw/zinc/04/31/83/484043183.db2.gz VIWOABYXVLGPOW-UHFFFAOYSA-N -1 0 373.354 -0.122 20 0 FBADRM Cc1cc([N-]S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)n(C)n1 ZINC000607059474 484044323 /nfs/dbraw/zinc/04/43/23/484044323.db2.gz VVEFZARXWXNNKB-UHFFFAOYSA-N -1 0 350.360 -0.123 20 0 FBADRM Cn1cccc(NS(=O)(=O)c2cnc3c(c2)c([O-])nc(=O)n3C)c1=O ZINC000607103593 484230554 /nfs/dbraw/zinc/23/05/54/484230554.db2.gz IHQDAPKMTQHGEO-UHFFFAOYSA-N -1 0 363.355 -0.466 20 0 FBADRM COc1ccc(S(=O)(=O)CCC(=O)NCc2nnn[n-]2)cc1OC ZINC000607115868 484237966 /nfs/dbraw/zinc/23/79/66/484237966.db2.gz BVVNCYPJSSRKAF-UHFFFAOYSA-N -1 0 355.376 -0.303 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCCCC2)o1 ZINC000607283576 484421878 /nfs/dbraw/zinc/42/18/78/484421878.db2.gz IUQFWVVKJABSLX-UHFFFAOYSA-N -1 0 358.420 -0.741 20 0 FBADRM O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)NCc1nnn[n-]1 ZINC000607340802 484480172 /nfs/dbraw/zinc/48/01/72/484480172.db2.gz AEYYEELDUFWIDO-UHFFFAOYSA-N -1 0 367.387 -0.159 20 0 FBADRM C[C@H](NC(=O)CN1CC(=O)NC1=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000607346106 484481299 /nfs/dbraw/zinc/48/12/99/484481299.db2.gz ORXYPVPNYFBDKX-DZGCQCFKSA-N -1 0 360.414 -0.056 20 0 FBADRM C[C@@H](NC(=O)CN1CC(=O)NC1=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000607346110 484481022 /nfs/dbraw/zinc/48/10/22/484481022.db2.gz ORXYPVPNYFBDKX-HIFRSBDPSA-N -1 0 360.414 -0.056 20 0 FBADRM C[C@@H](NC(=O)CN1CC(=O)NC1=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000607346111 484480563 /nfs/dbraw/zinc/48/05/63/484480563.db2.gz ORXYPVPNYFBDKX-UKRRQHHQSA-N -1 0 360.414 -0.056 20 0 FBADRM C[C@H](NC(=O)CN1CC(=O)NC1=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000607346112 484480664 /nfs/dbraw/zinc/48/06/64/484480664.db2.gz ORXYPVPNYFBDKX-ZFWWWQNUSA-N -1 0 360.414 -0.056 20 0 FBADRM COCCn1cc([N-]S(=O)(=O)c2ccccc2S(N)(=O)=O)cn1 ZINC000607613664 483680881 /nfs/dbraw/zinc/68/08/81/483680881.db2.gz NVZRICPDBKENMI-UHFFFAOYSA-N -1 0 360.417 -0.022 20 0 FBADRM COCCn1ccc([N-]S(=O)(=O)c2ccccc2S(N)(=O)=O)n1 ZINC000607614713 483681047 /nfs/dbraw/zinc/68/10/47/483681047.db2.gz JQOABKOHWGSSKZ-UHFFFAOYSA-N -1 0 360.417 -0.022 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]c2cnn(CC(=O)N3CCOCC3)c2)c1 ZINC000607614928 483680571 /nfs/dbraw/zinc/68/05/71/483680571.db2.gz GYAMHWXYUGRPAB-UHFFFAOYSA-N -1 0 354.392 -0.724 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)N3CCOCC3)c2)cn1 ZINC000607615259 483680908 /nfs/dbraw/zinc/68/09/08/483680908.db2.gz VOKMALKWYRUGKV-UHFFFAOYSA-N -1 0 354.392 -0.724 20 0 FBADRM O=C(CC[C@H]1NC(=O)NC1=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000607674212 483691656 /nfs/dbraw/zinc/69/16/56/483691656.db2.gz PLYKAYJIUZGJSJ-GXTWGEPZSA-N -1 0 374.397 -0.229 20 0 FBADRM O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000607674213 483691483 /nfs/dbraw/zinc/69/14/83/483691483.db2.gz PLYKAYJIUZGJSJ-JSGCOSHPSA-N -1 0 374.397 -0.229 20 0 FBADRM O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000607674214 483691563 /nfs/dbraw/zinc/69/15/63/483691563.db2.gz PLYKAYJIUZGJSJ-OCCSQVGLSA-N -1 0 374.397 -0.229 20 0 FBADRM O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000607674215 483691754 /nfs/dbraw/zinc/69/17/54/483691754.db2.gz PLYKAYJIUZGJSJ-TZMCWYRMSA-N -1 0 374.397 -0.229 20 0 FBADRM O=C(CNS(=O)(=O)c1cccs1)NCCN1C(=O)CCCC1=O ZINC000607953777 483830459 /nfs/dbraw/zinc/83/04/59/483830459.db2.gz JVEBIDNOBMKRFM-UHFFFAOYSA-N -1 0 359.429 -0.318 20 0 FBADRM Cc1nc(=NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)s[n-]1 ZINC000608192647 484060558 /nfs/dbraw/zinc/06/05/58/484060558.db2.gz HJQKXYHKZNLGLZ-UHFFFAOYSA-N -1 0 371.444 -0.120 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cnn(CC(=O)N(C)C)c1 ZINC000608955105 483569424 /nfs/dbraw/zinc/56/94/24/483569424.db2.gz PCQHCZNJGPLEMZ-UHFFFAOYSA-N -1 0 370.391 -0.328 20 0 FBADRM COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)n1 ZINC000609015574 483574898 /nfs/dbraw/zinc/57/48/98/483574898.db2.gz HZYICOSCNONTBH-UHFFFAOYSA-N -1 0 368.371 -0.036 20 0 FBADRM COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)n1 ZINC000609015862 483575479 /nfs/dbraw/zinc/57/54/79/483575479.db2.gz PYERHKVONFXQFE-UHFFFAOYSA-N -1 0 363.359 -0.167 20 0 FBADRM CS(=O)(=O)c1ccc(S([O-])=CC(=O)NCC(=O)N2CCCC2)cc1 ZINC000609369494 483682185 /nfs/dbraw/zinc/68/21/85/483682185.db2.gz XBCQWJVOUPBQMC-HSZRJFAPSA-N -1 0 372.468 -0.064 20 0 FBADRM CS(=O)(=O)c1ccc(S([O-])=CC(=O)NCC(=O)N2CCCC2)cc1 ZINC000609369500 483682071 /nfs/dbraw/zinc/68/20/71/483682071.db2.gz XBCQWJVOUPBQMC-QHCPKHFHSA-N -1 0 372.468 -0.064 20 0 FBADRM COC(=O)CN(CC(=O)OC)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000609447477 484110433 /nfs/dbraw/zinc/11/04/33/484110433.db2.gz CKKBDQMNQYYRPO-UHFFFAOYSA-N -1 0 350.287 -0.776 20 0 FBADRM CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1nnn[n-]1 ZINC000609489093 483880905 /nfs/dbraw/zinc/88/09/05/483880905.db2.gz JRKKTWXOTPYDMA-LLVKDONJSA-N -1 0 370.460 -0.084 20 0 FBADRM CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1nnn[n-]1 ZINC000609489094 483880940 /nfs/dbraw/zinc/88/09/40/483880940.db2.gz JRKKTWXOTPYDMA-NSHDSACASA-N -1 0 370.460 -0.084 20 0 FBADRM CSC[C@@H](C(=O)NCc1nnn[n-]1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000609531977 483902361 /nfs/dbraw/zinc/90/23/61/483902361.db2.gz COAULBBCRSBVOC-AEJSXWLSSA-N -1 0 352.420 -0.277 20 0 FBADRM CSC[C@H](C(=O)NCc1nnn[n-]1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000609531980 483902412 /nfs/dbraw/zinc/90/24/12/483902412.db2.gz COAULBBCRSBVOC-KXUCPTDWSA-N -1 0 352.420 -0.277 20 0 FBADRM CSC[C@H](C(=O)NCc1nnn[n-]1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000609531982 483902393 /nfs/dbraw/zinc/90/23/93/483902393.db2.gz COAULBBCRSBVOC-LPEHRKFASA-N -1 0 352.420 -0.277 20 0 FBADRM CSC[C@H](C(=O)NCc1nnn[n-]1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000609531983 483902431 /nfs/dbraw/zinc/90/24/31/483902431.db2.gz COAULBBCRSBVOC-OPRDCNLKSA-N -1 0 352.420 -0.277 20 0 FBADRM COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cn1 ZINC000609575553 484236428 /nfs/dbraw/zinc/23/64/28/484236428.db2.gz ITTMIATXRDJVIH-UHFFFAOYSA-N -1 0 364.339 -0.260 20 0 FBADRM COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cn1 ZINC000609575554 484235841 /nfs/dbraw/zinc/23/58/41/484235841.db2.gz JPKJZRMNVDNTTO-UHFFFAOYSA-N -1 0 374.400 -0.496 20 0 FBADRM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cc1 ZINC000609588466 484254582 /nfs/dbraw/zinc/25/45/82/484254582.db2.gz YKWDWKPBOWLBAT-UHFFFAOYSA-N -1 0 352.372 -0.115 20 0 FBADRM COC(=O)CCc1nc(CSc2n[n-]c3nc(=O)c(C)nn32)no1 ZINC000609637829 484473529 /nfs/dbraw/zinc/47/35/29/484473529.db2.gz MDMBTGCVTJEJSY-UHFFFAOYSA-N -1 0 351.348 -0.098 20 0 FBADRM COC(=O)C1CCN(C(=O)CSc2n[n-]c3nc(=O)c(C)nn32)CC1 ZINC000609637889 484473581 /nfs/dbraw/zinc/47/35/81/484473581.db2.gz VOCHTZZRHUTLBG-UHFFFAOYSA-N -1 0 366.403 -0.375 20 0 FBADRM COC(=O)Cc1nc(NC(=O)c2ccnc(N3CCN(C)CC3)c2)n[nH]1 ZINC000609835910 484509221 /nfs/dbraw/zinc/50/92/21/484509221.db2.gz QGNSPKHCIQABCI-UHFFFAOYSA-N -1 0 359.390 -0.081 20 0 FBADRM COC(=O)Cc1nc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)n[nH]1 ZINC000609855023 484510717 /nfs/dbraw/zinc/51/07/17/484510717.db2.gz FULYORMVLNBNMO-AWEZNQCLSA-N -1 0 350.335 -0.821 20 0 FBADRM COC(=O)Cc1nc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)n[nH]1 ZINC000609855024 484510512 /nfs/dbraw/zinc/51/05/12/484510512.db2.gz FULYORMVLNBNMO-CQSZACIVSA-N -1 0 350.335 -0.821 20 0 FBADRM NS(=O)(=O)c1ccc(OCCSCC(=O)Nc2nn[nH]n2)cc1 ZINC000609880894 484522795 /nfs/dbraw/zinc/52/27/95/484522795.db2.gz LKQRBHZRRHTFJZ-UHFFFAOYSA-N -1 0 358.405 -0.402 20 0 FBADRM COC(=O)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1 ZINC000609910108 484525481 /nfs/dbraw/zinc/52/54/81/484525481.db2.gz LNEYBYULTIEOGG-UHFFFAOYSA-N -1 0 374.400 -0.338 20 0 FBADRM COC(=O)CCc1n[n-]c(=NC(=O)NCCNc2cnccn2)s1 ZINC000609932763 484528022 /nfs/dbraw/zinc/52/80/22/484528022.db2.gz HKLAKBBBMAYGAK-UHFFFAOYSA-N -1 0 351.392 -0.489 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)CCO1 ZINC000609943909 484530225 /nfs/dbraw/zinc/53/02/25/484530225.db2.gz DAEDLZBRYMFMGM-MRVPVSSYSA-N -1 0 356.404 -0.404 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)CCO1 ZINC000609943911 484529599 /nfs/dbraw/zinc/52/95/99/484529599.db2.gz DAEDLZBRYMFMGM-QMMMGPOBSA-N -1 0 356.404 -0.404 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)NCc2nnn[n-]2)c(OC(F)F)c1 ZINC000609952941 484531466 /nfs/dbraw/zinc/53/14/66/484531466.db2.gz GQNHGLUYKPMFHC-UHFFFAOYSA-N -1 0 370.272 -0.157 20 0 FBADRM COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NCc2nnn[n-]2)c1 ZINC000609952966 484530814 /nfs/dbraw/zinc/53/08/14/484530814.db2.gz NOLBCDSROLQBSU-UHFFFAOYSA-N -1 0 373.373 -0.159 20 0 FBADRM COC(=O)CSCc1cccc(NC(=O)C(=O)NCc2nnn[n-]2)c1 ZINC000609953430 484532772 /nfs/dbraw/zinc/53/27/72/484532772.db2.gz GDTHZQVWZHGYPH-UHFFFAOYSA-N -1 0 364.387 -0.139 20 0 FBADRM CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)NCc3nnn[n-]3)ccc21 ZINC000609953453 484532937 /nfs/dbraw/zinc/53/29/37/484532937.db2.gz HJWDLPCDWKAPFB-UHFFFAOYSA-N -1 0 371.357 -0.028 20 0 FBADRM COC(=O)CCCOc1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1 ZINC000609953461 484532538 /nfs/dbraw/zinc/53/25/38/484532538.db2.gz HQPCXNQAVWRWHZ-UHFFFAOYSA-N -1 0 362.346 -0.213 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccnc(C(=O)N(C)C)c1 ZINC000609959622 484533858 /nfs/dbraw/zinc/53/38/58/484533858.db2.gz LJMCBHNXPLAUNI-UHFFFAOYSA-N -1 0 367.387 -0.094 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)ccc1OC ZINC000610057133 483999289 /nfs/dbraw/zinc/99/92/89/483999289.db2.gz ARXWLYLYSQBZNC-UHFFFAOYSA-N -1 0 368.371 -0.036 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)ccc1OC ZINC000610057533 484001348 /nfs/dbraw/zinc/00/13/48/484001348.db2.gz INYUEFMBORVSBY-UHFFFAOYSA-N -1 0 368.371 -0.036 20 0 FBADRM COC(=O)CCCc1n[n-]c(=NC(=O)NCCNc2cnccn2)s1 ZINC000610099605 484215631 /nfs/dbraw/zinc/21/56/31/484215631.db2.gz ZXYUUFOOZHKGAT-UHFFFAOYSA-N -1 0 365.419 -0.099 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCN(C)C(=O)C3)cc2)[n-]1 ZINC000610125303 484347243 /nfs/dbraw/zinc/34/72/43/484347243.db2.gz CDMBBXUKZQVEJA-UHFFFAOYSA-N -1 0 372.381 -0.205 20 0 FBADRM COC(=O)Cn1cc([N-]S(=O)(=O)c2ccccc2S(N)(=O)=O)cn1 ZINC000610193203 657130598 /nfs/dbraw/zinc/13/05/98/657130598.db2.gz QBMTWZJHHKPPGH-UHFFFAOYSA-N -1 0 374.400 -0.496 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(CC(=O)OC)cc2)n1 ZINC000610316258 484525050 /nfs/dbraw/zinc/52/50/50/484525050.db2.gz NIELDJIELDASOF-UHFFFAOYSA-N -1 0 367.387 -0.460 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(C)c2C(=O)OC)n1 ZINC000610316268 484525571 /nfs/dbraw/zinc/52/55/71/484525571.db2.gz ZHIASYFCEGYBAB-UHFFFAOYSA-N -1 0 367.387 -0.080 20 0 FBADRM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)OC)n2)cc1 ZINC000610316279 484525277 /nfs/dbraw/zinc/52/52/77/484525277.db2.gz DIZXEZRXYKMSPG-UHFFFAOYSA-N -1 0 368.371 -0.033 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)n1 ZINC000610316286 484524710 /nfs/dbraw/zinc/52/47/10/484524710.db2.gz LJAXGMCYELONEK-UHFFFAOYSA-N -1 0 367.343 -0.417 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2sc(NC(C)=O)nc2C)n1 ZINC000610316291 484525103 /nfs/dbraw/zinc/52/51/03/484525103.db2.gz OJYZOECXUNCZOZ-UHFFFAOYSA-N -1 0 374.404 -0.025 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCc3cn[nH]n3)cc2)[n-]1 ZINC000610663268 484590417 /nfs/dbraw/zinc/59/04/17/484590417.db2.gz WXSRVKIMPTVNJO-UHFFFAOYSA-N -1 0 356.342 -0.071 20 0 FBADRM COC(=O)CNC(=O)Cc1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000610664813 484589855 /nfs/dbraw/zinc/58/98/55/484589855.db2.gz JYTXZHUBUFSYOC-UHFFFAOYSA-N -1 0 362.346 -0.336 20 0 FBADRM CCOC(=O)c1nnc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)s1 ZINC000610796498 484606136 /nfs/dbraw/zinc/60/61/36/484606136.db2.gz BEAZHYAZJYMRSI-UHFFFAOYSA-N -1 0 359.389 -0.047 20 0 FBADRM Cc1cc(NC(=O)[C@@H](C)SCC(=O)N=c2cc(C(N)=O)[n-][nH]2)no1 ZINC000610872378 484615615 /nfs/dbraw/zinc/61/56/15/484615615.db2.gz PLCSBTAYICWKHW-SSDOTTSWSA-N -1 0 352.376 -0.652 20 0 FBADRM Cc1cc(NC(=O)[C@H](C)SCC(=O)N=c2cc(C(N)=O)[n-][nH]2)no1 ZINC000610872379 484615641 /nfs/dbraw/zinc/61/56/41/484615641.db2.gz PLCSBTAYICWKHW-ZETCQYMHSA-N -1 0 352.376 -0.652 20 0 FBADRM COC(=O)COc1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1Cl ZINC000610916266 484618786 /nfs/dbraw/zinc/61/87/86/484618786.db2.gz KBYWXRCQJSWXEP-UHFFFAOYSA-N -1 0 368.737 -0.340 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)OC)oc2C)n1 ZINC000611103548 484666921 /nfs/dbraw/zinc/66/69/21/484666921.db2.gz LBKCHKMGENNSQN-UHFFFAOYSA-N -1 0 357.348 -0.487 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(OCC(=O)OC)cc1 ZINC000611164913 484680605 /nfs/dbraw/zinc/68/06/05/484680605.db2.gz ALMUYYFVGVYDDX-UHFFFAOYSA-N -1 0 361.372 -0.040 20 0 FBADRM COC(=O)COc1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000611165199 484681210 /nfs/dbraw/zinc/68/12/10/484681210.db2.gz XZBKQYXRFPOYGS-GFCCVEGCSA-N -1 0 359.356 -0.288 20 0 FBADRM COC(=O)COc1ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000611165200 484680380 /nfs/dbraw/zinc/68/03/80/484680380.db2.gz XZBKQYXRFPOYGS-LBPRGKRZSA-N -1 0 359.356 -0.288 20 0 FBADRM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)n[nH]2)cc1 ZINC000611497974 484938430 /nfs/dbraw/zinc/93/84/30/484938430.db2.gz WCVMWYOAJLFWKG-UHFFFAOYSA-N -1 0 354.344 -0.139 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NCc2n[nH]c(=O)[n-]2)c2ccccc2O1 ZINC000611546255 484940832 /nfs/dbraw/zinc/94/08/32/484940832.db2.gz TYCVIOALCRXYMV-JTQLQIEISA-N -1 0 361.314 -0.906 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)NCc2n[nH]c(=O)[n-]2)c2ccccc2O1 ZINC000611546256 484939927 /nfs/dbraw/zinc/93/99/27/484939927.db2.gz TYCVIOALCRXYMV-SNVBAGLBSA-N -1 0 361.314 -0.906 20 0 FBADRM CC(=O)NCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)C(=O)OC(C)(C)C ZINC000611582318 484941756 /nfs/dbraw/zinc/94/17/56/484941756.db2.gz LIAMCOLAECBNMN-MRVPVSSYSA-N -1 0 369.378 -0.409 20 0 FBADRM CC(=O)NCCN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000611582319 484941634 /nfs/dbraw/zinc/94/16/34/484941634.db2.gz LIAMCOLAECBNMN-QMMMGPOBSA-N -1 0 369.378 -0.409 20 0 FBADRM CCOC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC000611603607 484943466 /nfs/dbraw/zinc/94/34/66/484943466.db2.gz HJTUBVQDOXNGJD-UHFFFAOYSA-N -1 0 354.273 -0.091 20 0 FBADRM CC(C)(C(N)=O)N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000611636568 484942647 /nfs/dbraw/zinc/94/26/47/484942647.db2.gz CSKIKIICEOREND-UHFFFAOYSA-N -1 0 370.431 -0.939 20 0 FBADRM O=C(Nc1ccncc1I)c1n[nH]c(=O)[n-]c1=O ZINC000611654746 484946106 /nfs/dbraw/zinc/94/61/06/484946106.db2.gz BNUVXFYYSAWYTF-UHFFFAOYSA-N -1 0 359.083 -0.043 20 0 FBADRM Cn1cc(N2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3[O-])CC2)cn1 ZINC000611765489 484952356 /nfs/dbraw/zinc/95/23/56/484952356.db2.gz CMMMEBGTCLJBNL-UHFFFAOYSA-N -1 0 365.415 -0.265 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC000611845392 484954372 /nfs/dbraw/zinc/95/43/72/484954372.db2.gz RFMYUWULHVONIW-UHFFFAOYSA-N -1 0 360.436 -0.362 20 0 FBADRM NC(=O)C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C1CCOCC1 ZINC000611882920 484957573 /nfs/dbraw/zinc/95/75/73/484957573.db2.gz UXZGHJGNNWVKNH-GFCCVEGCSA-N -1 0 371.415 -0.560 20 0 FBADRM NC(=O)C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C1CCOCC1 ZINC000611882946 484957423 /nfs/dbraw/zinc/95/74/23/484957423.db2.gz UXZGHJGNNWVKNH-LBPRGKRZSA-N -1 0 371.415 -0.560 20 0 FBADRM CC(C)N1C(=O)C[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1=O ZINC000611928225 484959436 /nfs/dbraw/zinc/95/94/36/484959436.db2.gz MXNFXOKZYDEIBV-JTQLQIEISA-N -1 0 355.372 -0.695 20 0 FBADRM CC(C)N1C(=O)C[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1=O ZINC000611928226 484960490 /nfs/dbraw/zinc/96/04/90/484960490.db2.gz MXNFXOKZYDEIBV-SNVBAGLBSA-N -1 0 355.372 -0.695 20 0 FBADRM CS(=O)(=O)CC1(CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000611948009 484967726 /nfs/dbraw/zinc/96/77/26/484967726.db2.gz LIEZSHKQBHPJLM-UHFFFAOYSA-N -1 0 362.429 -0.406 20 0 FBADRM CC(C)(CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-])S(C)(=O)=O ZINC000611962939 484979535 /nfs/dbraw/zinc/97/95/35/484979535.db2.gz GOOFRNIDCCSFPE-UHFFFAOYSA-N -1 0 350.418 -0.407 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCc3cn(C)nn3)cc2)[n-]1 ZINC000611984844 485016469 /nfs/dbraw/zinc/01/64/69/485016469.db2.gz CGRPRZDZEYGIMV-UHFFFAOYSA-N -1 0 370.369 -0.060 20 0 FBADRM COC1CC[NH+](CCNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000612057325 485138247 /nfs/dbraw/zinc/13/82/47/485138247.db2.gz ORGUEDWUOXFKDM-UHFFFAOYSA-N -1 0 357.432 -0.120 20 0 FBADRM CCC[C@H](NC(=O)CNS(=O)(=O)c1ccccc1N)c1nnn[n-]1 ZINC000612059831 485139506 /nfs/dbraw/zinc/13/95/06/485139506.db2.gz FOWVOASZSMRFQO-JTQLQIEISA-N -1 0 353.408 -0.282 20 0 FBADRM CCC[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1N)c1nnn[n-]1 ZINC000612059832 485139339 /nfs/dbraw/zinc/13/93/39/485139339.db2.gz FOWVOASZSMRFQO-SNVBAGLBSA-N -1 0 353.408 -0.282 20 0 FBADRM CCC[C@@H](NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)c1nnn[n-]1 ZINC000612061595 485139492 /nfs/dbraw/zinc/13/94/92/485139492.db2.gz PRGBBLGAOGLAHP-MRVPVSSYSA-N -1 0 355.380 -0.974 20 0 FBADRM CCC[C@H](NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)c1nnn[n-]1 ZINC000612061601 485139824 /nfs/dbraw/zinc/13/98/24/485139824.db2.gz PRGBBLGAOGLAHP-QMMMGPOBSA-N -1 0 355.380 -0.974 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000612063606 485139722 /nfs/dbraw/zinc/13/97/22/485139722.db2.gz WJJWQIXXGOHASD-AWEZNQCLSA-N -1 0 362.386 -0.205 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000612063607 485139608 /nfs/dbraw/zinc/13/96/08/485139608.db2.gz WJJWQIXXGOHASD-CQSZACIVSA-N -1 0 362.386 -0.205 20 0 FBADRM CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(=O)N1CCOCC1 ZINC000612073224 485140838 /nfs/dbraw/zinc/14/08/38/485140838.db2.gz AWYOMQDVENTIMK-GFCCVEGCSA-N -1 0 371.415 -0.593 20 0 FBADRM CC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(=O)N1CCOCC1 ZINC000612073225 485140526 /nfs/dbraw/zinc/14/05/26/485140526.db2.gz AWYOMQDVENTIMK-LBPRGKRZSA-N -1 0 371.415 -0.593 20 0 FBADRM CC1(C)CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCS1(=O)=O ZINC000612278592 485193728 /nfs/dbraw/zinc/19/37/28/485193728.db2.gz MHTKLNJTQDZHHI-UHFFFAOYSA-N -1 0 362.429 -0.311 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCN([C@@H]3CCOC3)CC2)c1 ZINC000612308206 485197863 /nfs/dbraw/zinc/19/78/63/485197863.db2.gz LYHVWCCYJWKJQV-LLVKDONJSA-N -1 0 355.416 -0.414 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCN([C@H]3CCOC3)CC2)c1 ZINC000612308210 485198107 /nfs/dbraw/zinc/19/81/07/485198107.db2.gz LYHVWCCYJWKJQV-NSHDSACASA-N -1 0 355.416 -0.414 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 ZINC000612327562 485200250 /nfs/dbraw/zinc/20/02/50/485200250.db2.gz MDABLHLVBARWMN-NEPJUHHUSA-N -1 0 353.400 -0.077 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)c1 ZINC000612327565 485200304 /nfs/dbraw/zinc/20/03/04/485200304.db2.gz MDABLHLVBARWMN-NWDGAFQWSA-N -1 0 353.400 -0.077 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)c1 ZINC000612327566 485200450 /nfs/dbraw/zinc/20/04/50/485200450.db2.gz MDABLHLVBARWMN-RYUDHWBXSA-N -1 0 353.400 -0.077 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)c1 ZINC000612327568 485200475 /nfs/dbraw/zinc/20/04/75/485200475.db2.gz MDABLHLVBARWMN-VXGBXAGGSA-N -1 0 353.400 -0.077 20 0 FBADRM CCOC(=O)c1ccc(N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)nc1 ZINC000612340653 485202171 /nfs/dbraw/zinc/20/21/71/485202171.db2.gz GPVWHPPEFCRSDB-UHFFFAOYSA-N -1 0 360.330 -0.527 20 0 FBADRM Cn1[n-]c(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1=O ZINC000612349761 485203952 /nfs/dbraw/zinc/20/39/52/485203952.db2.gz IFSLDAZMMYAOIF-GFCCVEGCSA-N -1 0 359.386 -0.542 20 0 FBADRM Cn1[n-]c(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1=O ZINC000612349762 485204380 /nfs/dbraw/zinc/20/43/80/485204380.db2.gz IFSLDAZMMYAOIF-LBPRGKRZSA-N -1 0 359.386 -0.542 20 0 FBADRM CCNC(=O)N1CC[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000612397288 485209052 /nfs/dbraw/zinc/20/90/52/485209052.db2.gz ZGMJZHXPSTWZJS-SECBINFHSA-N -1 0 356.404 -0.427 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000612397289 485209034 /nfs/dbraw/zinc/20/90/34/485209034.db2.gz ZGMJZHXPSTWZJS-VIFPVBQESA-N -1 0 356.404 -0.427 20 0 FBADRM C[C@H](CCS(C)(=O)=O)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000612439924 485210478 /nfs/dbraw/zinc/21/04/78/485210478.db2.gz DUMYNFKPSZXLCD-MRVPVSSYSA-N -1 0 350.418 -0.407 20 0 FBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000612439926 485210412 /nfs/dbraw/zinc/21/04/12/485210412.db2.gz DUMYNFKPSZXLCD-QMMMGPOBSA-N -1 0 350.418 -0.407 20 0 FBADRM Cn1ccnc1N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000612453276 485212747 /nfs/dbraw/zinc/21/27/47/485212747.db2.gz ZGHUZFIKIJEHEE-UHFFFAOYSA-N -1 0 365.415 -0.265 20 0 FBADRM O=C([O-])CSCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000612593593 485226416 /nfs/dbraw/zinc/22/64/16/485226416.db2.gz MFOUVYLVVCJQPX-GHMZBOCLSA-N -1 0 351.446 -0.001 20 0 FBADRM O=C([O-])CSCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000612593594 485226199 /nfs/dbraw/zinc/22/61/99/485226199.db2.gz MFOUVYLVVCJQPX-MNOVXSKESA-N -1 0 351.446 -0.001 20 0 FBADRM O=C([O-])CSCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000612593595 485225417 /nfs/dbraw/zinc/22/54/17/485225417.db2.gz MFOUVYLVVCJQPX-QWRGUYRKSA-N -1 0 351.446 -0.001 20 0 FBADRM O=C([O-])CSCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000612593596 485225515 /nfs/dbraw/zinc/22/55/15/485225515.db2.gz MFOUVYLVVCJQPX-WDEREUQCSA-N -1 0 351.446 -0.001 20 0 FBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000612633173 485233580 /nfs/dbraw/zinc/23/35/80/485233580.db2.gz TZCPKQCLLBQJQJ-CYBMUJFWSA-N -1 0 356.400 -0.646 20 0 FBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000612633174 485233819 /nfs/dbraw/zinc/23/38/19/485233819.db2.gz TZCPKQCLLBQJQJ-ZDUSSCGKSA-N -1 0 356.400 -0.646 20 0 FBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000612633439 485233877 /nfs/dbraw/zinc/23/38/77/485233877.db2.gz DSONZXPYJMRLAF-UONOGXRCSA-N -1 0 370.427 -0.256 20 0 FBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000612633441 485233195 /nfs/dbraw/zinc/23/31/95/485233195.db2.gz DSONZXPYJMRLAF-ZIAGYGMSSA-N -1 0 370.427 -0.256 20 0 FBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N(CCO)CCN1CCOCC1 ZINC000612673003 485235687 /nfs/dbraw/zinc/23/56/87/485235687.db2.gz LKVNLYOKPAPOIU-UHFFFAOYSA-N -1 0 362.386 -0.203 20 0 FBADRM CC[C@H](CO)N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000612678670 485235783 /nfs/dbraw/zinc/23/57/83/485235783.db2.gz IVUIFPAIEQMNHQ-LLVKDONJSA-N -1 0 357.432 -0.432 20 0 FBADRM CC[C@@H](CO)N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000612678671 485236422 /nfs/dbraw/zinc/23/64/22/485236422.db2.gz IVUIFPAIEQMNHQ-NSHDSACASA-N -1 0 357.432 -0.432 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N(C)C[C@H](O)CO)cc2)[n-]1 ZINC000612754750 485240762 /nfs/dbraw/zinc/24/07/62/485240762.db2.gz YQXKUVLVIPRIGY-AWEZNQCLSA-N -1 0 363.370 -0.694 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000612800982 485243044 /nfs/dbraw/zinc/24/30/44/485243044.db2.gz LQHHXMFBXRXYGI-LLVKDONJSA-N -1 0 352.372 -0.206 20 0 FBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000612800985 485242471 /nfs/dbraw/zinc/24/24/71/485242471.db2.gz LQHHXMFBXRXYGI-NSHDSACASA-N -1 0 352.372 -0.206 20 0 FBADRM CN1C(=O)CO[C@H](C(=O)N2CCC[C@H](c3nnn[n-]3)C2)[C@H]1c1cccnc1 ZINC000612814273 485244005 /nfs/dbraw/zinc/24/40/05/485244005.db2.gz AKFKBIKWXCZYGB-CFVMTHIKSA-N -1 0 371.401 -0.101 20 0 FBADRM CN1C(=O)CO[C@H](C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)[C@H]1c1cccnc1 ZINC000612814274 485243722 /nfs/dbraw/zinc/24/37/22/485243722.db2.gz AKFKBIKWXCZYGB-YUELXQCFSA-N -1 0 371.401 -0.101 20 0 FBADRM Nc1ccccc1S(=O)(=O)NCC(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000612816307 485243801 /nfs/dbraw/zinc/24/38/01/485243801.db2.gz DPNNHXCMSHNDKW-JTQLQIEISA-N -1 0 365.419 -0.534 20 0 FBADRM Nc1ccccc1S(=O)(=O)NCC(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000612816310 485243506 /nfs/dbraw/zinc/24/35/06/485243506.db2.gz DPNNHXCMSHNDKW-SNVBAGLBSA-N -1 0 365.419 -0.534 20 0 FBADRM CC(C)(CO)N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000613035611 485255056 /nfs/dbraw/zinc/25/50/56/485255056.db2.gz BVLSZYUMBYOYDL-UHFFFAOYSA-N -1 0 357.432 -0.432 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC(NC(=O)c3cc(=O)n(C)[n-]3)C2)cc1 ZINC000613039202 485255012 /nfs/dbraw/zinc/25/50/12/485255012.db2.gz OZGZZOWJYMTWID-UHFFFAOYSA-N -1 0 366.399 -0.063 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCCN(C)S(C)(=O)=O ZINC000613189847 485320693 /nfs/dbraw/zinc/32/06/93/485320693.db2.gz UAQMYMPAOLEIIV-UHFFFAOYSA-N -1 0 371.462 -0.511 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CC1 ZINC000613251846 484539494 /nfs/dbraw/zinc/53/94/94/484539494.db2.gz CUZGPRCYGPCLEI-UHFFFAOYSA-N -1 0 368.459 -0.096 20 0 FBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])O1 ZINC000613254864 484541028 /nfs/dbraw/zinc/54/10/28/484541028.db2.gz GXFFMOMAXHNMKF-NOZJJQNGSA-N -1 0 371.415 -0.595 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])O1 ZINC000613254865 484541703 /nfs/dbraw/zinc/54/17/03/484541703.db2.gz GXFFMOMAXHNMKF-RNCFNFMXSA-N -1 0 371.415 -0.595 20 0 FBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])O1 ZINC000613254866 484540938 /nfs/dbraw/zinc/54/09/38/484540938.db2.gz GXFFMOMAXHNMKF-TVQRCGJNSA-N -1 0 371.415 -0.595 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])O1 ZINC000613254867 484540882 /nfs/dbraw/zinc/54/08/82/484540882.db2.gz GXFFMOMAXHNMKF-ZANVPECISA-N -1 0 371.415 -0.595 20 0 FBADRM Cn1c(CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])nnc1C1CC1 ZINC000613285601 484197746 /nfs/dbraw/zinc/19/77/46/484197746.db2.gz MSTSHGVIKJTAGQ-UHFFFAOYSA-N -1 0 351.388 -0.025 20 0 FBADRM Cn1[n-]c(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1=O ZINC000613331854 484263145 /nfs/dbraw/zinc/26/31/45/484263145.db2.gz OLPJVARTOBPNRD-LLVKDONJSA-N -1 0 358.420 -0.608 20 0 FBADRM Cn1[n-]c(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1=O ZINC000613331855 484263037 /nfs/dbraw/zinc/26/30/37/484263037.db2.gz OLPJVARTOBPNRD-NSHDSACASA-N -1 0 358.420 -0.608 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H]2CCCCS2(=O)=O)c1 ZINC000613434464 484324127 /nfs/dbraw/zinc/32/41/27/484324127.db2.gz FWBMYVDVWBPGRH-JTQLQIEISA-N -1 0 362.429 -0.263 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H]2CCCCS2(=O)=O)c1 ZINC000613434465 484324206 /nfs/dbraw/zinc/32/42/06/484324206.db2.gz FWBMYVDVWBPGRH-SNVBAGLBSA-N -1 0 362.429 -0.263 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCCc2nnc3n2CCCC3)c1 ZINC000613447219 484337583 /nfs/dbraw/zinc/33/75/83/484337583.db2.gz YANJLIJLVXPJMD-UHFFFAOYSA-N -1 0 365.415 -0.060 20 0 FBADRM C[C@H](CN(C)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1)c1nnn[n-]1 ZINC000613473267 484375879 /nfs/dbraw/zinc/37/58/79/484375879.db2.gz YEYHWBPRKYYMAH-DDTOSNHZSA-N -1 0 359.390 -0.245 20 0 FBADRM C[C@@H](CN(C)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1)c1nnn[n-]1 ZINC000613473268 484376396 /nfs/dbraw/zinc/37/63/96/484376396.db2.gz YEYHWBPRKYYMAH-LEWSCRJBSA-N -1 0 359.390 -0.245 20 0 FBADRM C[C@H](CN(C)C(=O)CNS(=O)(=O)c1ccccc1N)c1nnn[n-]1 ZINC000613474451 484380460 /nfs/dbraw/zinc/38/04/60/484380460.db2.gz HZDJSZIBEGQIJQ-SECBINFHSA-N -1 0 353.408 -0.678 20 0 FBADRM C[C@@H](CN(C)C(=O)CNS(=O)(=O)c1ccccc1N)c1nnn[n-]1 ZINC000613474476 484380952 /nfs/dbraw/zinc/38/09/52/484380952.db2.gz HZDJSZIBEGQIJQ-VIFPVBQESA-N -1 0 353.408 -0.678 20 0 FBADRM CC(C)(CS(C)(=O)=O)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613506142 484387074 /nfs/dbraw/zinc/38/70/74/484387074.db2.gz ZORSVADWGUXRNU-UHFFFAOYSA-N -1 0 350.418 -0.407 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)c1 ZINC000613519042 484386200 /nfs/dbraw/zinc/38/62/00/484386200.db2.gz AKYDYZQZWQNBET-JTQLQIEISA-N -1 0 368.415 -0.284 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)c1 ZINC000613519045 484386403 /nfs/dbraw/zinc/38/64/03/484386403.db2.gz AKYDYZQZWQNBET-SNVBAGLBSA-N -1 0 368.415 -0.284 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H](CCO)C2CCOCC2)c1 ZINC000613526634 484388004 /nfs/dbraw/zinc/38/80/04/484388004.db2.gz DMXXCSHYJCNNPM-CYBMUJFWSA-N -1 0 358.416 -0.053 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H](CCO)C2CCOCC2)c1 ZINC000613526635 484387665 /nfs/dbraw/zinc/38/76/65/484387665.db2.gz DMXXCSHYJCNNPM-ZDUSSCGKSA-N -1 0 358.416 -0.053 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCc2nnnn2CC2CC2)c1 ZINC000613595521 484409361 /nfs/dbraw/zinc/40/93/61/484409361.db2.gz NOWOJGGJJYEABG-UHFFFAOYSA-N -1 0 352.376 -0.634 20 0 FBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000613618629 484410886 /nfs/dbraw/zinc/41/08/86/484410886.db2.gz VRPZFWFSHGUSDY-UHFFFAOYSA-N -1 0 369.403 -0.116 20 0 FBADRM CS(=O)(=O)CCCCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613641469 484413910 /nfs/dbraw/zinc/41/39/10/484413910.db2.gz NXJYHTCBSCHKHG-UHFFFAOYSA-N -1 0 364.445 -0.016 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613647540 484415027 /nfs/dbraw/zinc/41/50/27/484415027.db2.gz NEVOIJDCZIGSSG-GXTWGEPZSA-N -1 0 374.415 -0.410 20 0 FBADRM COCCO[C@H]1COCC[C@@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613647541 484415089 /nfs/dbraw/zinc/41/50/89/484415089.db2.gz NEVOIJDCZIGSSG-JSGCOSHPSA-N -1 0 374.415 -0.410 20 0 FBADRM COCCO[C@H]1COCC[C@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613647542 484415375 /nfs/dbraw/zinc/41/53/75/484415375.db2.gz NEVOIJDCZIGSSG-OCCSQVGLSA-N -1 0 374.415 -0.410 20 0 FBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613647663 484415381 /nfs/dbraw/zinc/41/53/81/484415381.db2.gz NEVOIJDCZIGSSG-TZMCWYRMSA-N -1 0 374.415 -0.410 20 0 FBADRM C[C@@H](O)CN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])[C@H](C)C1 ZINC000613654557 484419803 /nfs/dbraw/zinc/41/98/03/484419803.db2.gz CSMNLALHTBEHST-GHMZBOCLSA-N -1 0 357.432 -0.433 20 0 FBADRM C[C@H](O)CN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])[C@H](C)C1 ZINC000613654558 484419497 /nfs/dbraw/zinc/41/94/97/484419497.db2.gz CSMNLALHTBEHST-MNOVXSKESA-N -1 0 357.432 -0.433 20 0 FBADRM C[C@H](O)CN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])[C@@H](C)C1 ZINC000613654559 484419728 /nfs/dbraw/zinc/41/97/28/484419728.db2.gz CSMNLALHTBEHST-QWRGUYRKSA-N -1 0 357.432 -0.433 20 0 FBADRM C[C@@H](O)CN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])[C@@H](C)C1 ZINC000613654560 484419590 /nfs/dbraw/zinc/41/95/90/484419590.db2.gz CSMNLALHTBEHST-WDEREUQCSA-N -1 0 357.432 -0.433 20 0 FBADRM CC(C)CN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1=O ZINC000613683637 484429704 /nfs/dbraw/zinc/42/97/04/484429704.db2.gz GEONMRIKARNDLW-UHFFFAOYSA-N -1 0 355.416 -0.020 20 0 FBADRM CN(CCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)S(C)(=O)=O ZINC000613687643 484429390 /nfs/dbraw/zinc/42/93/90/484429390.db2.gz TYVMFFLKLDCRMS-UHFFFAOYSA-N -1 0 355.376 -0.553 20 0 FBADRM CS(=O)(=O)N1CC(CNC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000613700962 484430686 /nfs/dbraw/zinc/43/06/86/484430686.db2.gz KZIHZDQTLUGZRL-UHFFFAOYSA-N -1 0 352.372 -0.349 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000613748438 484431828 /nfs/dbraw/zinc/43/18/28/484431828.db2.gz MARHBDIRYIHAQU-UHFFFAOYSA-N -1 0 369.403 -0.163 20 0 FBADRM CC1(C)CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCN1CCO ZINC000613777174 484436774 /nfs/dbraw/zinc/43/67/74/484436774.db2.gz KVXBTZGCEQUREB-UHFFFAOYSA-N -1 0 357.432 -0.432 20 0 FBADRM CC(=O)N1CCN(CCNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000613778622 484434961 /nfs/dbraw/zinc/43/49/61/484434961.db2.gz JLUPYQBWLWTLSP-UHFFFAOYSA-N -1 0 360.374 -0.670 20 0 FBADRM O=C(NCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)c1cccnc1 ZINC000613784666 484435374 /nfs/dbraw/zinc/43/53/74/484435374.db2.gz YRSZCMKCIFNLPD-UHFFFAOYSA-N -1 0 354.326 -0.009 20 0 FBADRM COC(=O)[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccc(OC)cc1OC ZINC000613818990 484436841 /nfs/dbraw/zinc/43/68/41/484436841.db2.gz UNDLCYYPGYQOHN-JTQLQIEISA-N -1 0 364.314 -0.056 20 0 FBADRM COC(=O)[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccc(OC)cc1OC ZINC000613818991 484436946 /nfs/dbraw/zinc/43/69/46/484436946.db2.gz UNDLCYYPGYQOHN-SNVBAGLBSA-N -1 0 364.314 -0.056 20 0 FBADRM Cn1[n-]c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1=O ZINC000613834670 484437692 /nfs/dbraw/zinc/43/76/92/484437692.db2.gz OWCSOLSKEXSGLS-UHFFFAOYSA-N -1 0 365.415 -0.265 20 0 FBADRM NC(=O)[C@]1(O)CCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1 ZINC000613848675 484437766 /nfs/dbraw/zinc/43/77/66/484437766.db2.gz BCUJBBCFMLDGSZ-HNNXBMFYSA-N -1 0 352.297 -0.082 20 0 FBADRM NC(=O)[C@@]1(O)CCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1 ZINC000613848681 484437962 /nfs/dbraw/zinc/43/79/62/484437962.db2.gz BCUJBBCFMLDGSZ-OAHLLOKOSA-N -1 0 352.297 -0.082 20 0 FBADRM COCCN1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1=O ZINC000613870512 484438866 /nfs/dbraw/zinc/43/88/66/484438866.db2.gz FFNBYHBIZSYSMI-UHFFFAOYSA-N -1 0 371.415 -0.640 20 0 FBADRM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613871517 484439095 /nfs/dbraw/zinc/43/90/95/484439095.db2.gz LFPRRLVLQWRLRR-DVYJOKAKSA-N -1 0 353.400 -0.234 20 0 FBADRM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613871522 484438842 /nfs/dbraw/zinc/43/88/42/484438842.db2.gz LFPRRLVLQWRLRR-FWDPORAESA-N -1 0 353.400 -0.234 20 0 FBADRM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613871523 484439240 /nfs/dbraw/zinc/43/92/40/484439240.db2.gz LFPRRLVLQWRLRR-JQEORGNBSA-N -1 0 353.400 -0.234 20 0 FBADRM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613871524 484438410 /nfs/dbraw/zinc/43/84/10/484438410.db2.gz LFPRRLVLQWRLRR-PLMOITTCSA-N -1 0 353.400 -0.234 20 0 FBADRM O=C(CC1(n2cnnn2)CCOCC1)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000613873847 484438503 /nfs/dbraw/zinc/43/85/03/484438503.db2.gz INMGYNOXDMNUPN-UHFFFAOYSA-N -1 0 371.361 -0.111 20 0 FBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)C1 ZINC000613875651 484438666 /nfs/dbraw/zinc/43/86/66/484438666.db2.gz VDYFEMIUKDYUBS-SECBINFHSA-N -1 0 367.391 -0.778 20 0 FBADRM NS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)C1 ZINC000613875653 484438522 /nfs/dbraw/zinc/43/85/22/484438522.db2.gz VDYFEMIUKDYUBS-VIFPVBQESA-N -1 0 367.391 -0.778 20 0 FBADRM CCOCCOC[C@@H](O)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613952901 484440205 /nfs/dbraw/zinc/44/02/05/484440205.db2.gz HRUHOTYAWIMUJP-JTQLQIEISA-N -1 0 362.404 -0.817 20 0 FBADRM CCOCCOC[C@H](O)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000613952902 484439833 /nfs/dbraw/zinc/43/98/33/484439833.db2.gz HRUHOTYAWIMUJP-SNVBAGLBSA-N -1 0 362.404 -0.817 20 0 FBADRM CN(Cc1cnn(C)c1)C(=O)CN1[N-]S(=O)(=O)c2ccccc2C1=O ZINC000613959147 484441605 /nfs/dbraw/zinc/44/16/05/484441605.db2.gz QCZATFBCKSQXOM-UHFFFAOYSA-N -1 0 363.399 -0.272 20 0 FBADRM COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC000613961498 484441514 /nfs/dbraw/zinc/44/15/14/484441514.db2.gz HCSRNJXKQCQNEN-LLVKDONJSA-N -1 0 360.436 -0.362 20 0 FBADRM COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC000613961499 484441051 /nfs/dbraw/zinc/44/10/51/484441051.db2.gz HCSRNJXKQCQNEN-NSHDSACASA-N -1 0 360.436 -0.362 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC(=O)N(CC(F)(F)F)C2)c1 ZINC000613965621 484440796 /nfs/dbraw/zinc/44/07/96/484440796.db2.gz WXZWWTAVSQCVDB-UHFFFAOYSA-N -1 0 367.305 -0.156 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000614001576 484443721 /nfs/dbraw/zinc/44/37/21/484443721.db2.gz YGAMRTDULIAAJI-UHFFFAOYSA-N -1 0 369.403 -0.408 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCN(c3ncc[nH]3)CC2)c1 ZINC000614025120 484446407 /nfs/dbraw/zinc/44/64/07/484446407.db2.gz DVDHAJOOFIQWGR-UHFFFAOYSA-N -1 0 351.388 -0.275 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCC2(N3CCOCC3)CC2)c1 ZINC000614028535 484446079 /nfs/dbraw/zinc/44/60/79/484446079.db2.gz NYRNQUSWUYCVJY-UHFFFAOYSA-N -1 0 355.416 -0.366 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)c1 ZINC000614061151 484450510 /nfs/dbraw/zinc/45/05/10/484450510.db2.gz HOIYYNQZAQNSBG-CYBMUJFWSA-N -1 0 354.384 -0.140 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)c1 ZINC000614061152 484450352 /nfs/dbraw/zinc/45/03/52/484450352.db2.gz HOIYYNQZAQNSBG-ZDUSSCGKSA-N -1 0 354.384 -0.140 20 0 FBADRM C[C@H](CN1CCOCC1)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000614180010 484453968 /nfs/dbraw/zinc/45/39/68/484453968.db2.gz TXPWFEUPRURRJY-LLVKDONJSA-N -1 0 357.432 -0.168 20 0 FBADRM C[C@@H](CN1CCOCC1)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000614180018 484453263 /nfs/dbraw/zinc/45/32/63/484453263.db2.gz TXPWFEUPRURRJY-NSHDSACASA-N -1 0 357.432 -0.168 20 0 FBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000614196963 484452620 /nfs/dbraw/zinc/45/26/20/484452620.db2.gz BVZAEWSJKHVZEC-INIZCTEOSA-N -1 0 357.326 -0.156 20 0 FBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000614196964 484452328 /nfs/dbraw/zinc/45/23/28/484452328.db2.gz BVZAEWSJKHVZEC-MRXNPFEDSA-N -1 0 357.326 -0.156 20 0 FBADRM NS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)C1 ZINC000614260788 484455649 /nfs/dbraw/zinc/45/56/49/484455649.db2.gz ZIGBLQOPGVNIJC-JTQLQIEISA-N -1 0 358.424 -0.868 20 0 FBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)C1 ZINC000614260789 484455710 /nfs/dbraw/zinc/45/57/10/484455710.db2.gz ZIGBLQOPGVNIJC-SNVBAGLBSA-N -1 0 358.424 -0.868 20 0 FBADRM CS(=O)(=O)C1(CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCC1 ZINC000614261866 484456564 /nfs/dbraw/zinc/45/65/64/484456564.db2.gz DIIOXUDVDYHYNB-UHFFFAOYSA-N -1 0 362.429 -0.263 20 0 FBADRM CCn1nccc1CN(CCO)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000614265350 484456505 /nfs/dbraw/zinc/45/65/05/484456505.db2.gz PASGZIWNMSCLPD-UHFFFAOYSA-N -1 0 368.415 -0.109 20 0 FBADRM Cc1cc(NCCNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])n(C)n1 ZINC000614286071 484457750 /nfs/dbraw/zinc/45/77/50/484457750.db2.gz FTMCWHBHXQISON-UHFFFAOYSA-N -1 0 353.404 -0.077 20 0 FBADRM COC(=O)CCOc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cc1 ZINC000614316235 484457425 /nfs/dbraw/zinc/45/74/25/484457425.db2.gz ACGXQDJWMVTORZ-GFCCVEGCSA-N -1 0 361.372 -0.258 20 0 FBADRM COC(=O)c1c(C)cccc1S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000614327590 484458988 /nfs/dbraw/zinc/45/89/88/484458988.db2.gz HBQYOARINFNSPL-VIFPVBQESA-N -1 0 358.372 -0.221 20 0 FBADRM COC(=O)c1c(C)cccc1S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000614329359 484458219 /nfs/dbraw/zinc/45/82/19/484458219.db2.gz HBQYOARINFNSPL-SECBINFHSA-N -1 0 358.372 -0.221 20 0 FBADRM COC(=O)c1c(C)cccc1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000614361221 484460438 /nfs/dbraw/zinc/46/04/38/484460438.db2.gz HFAIPBITOXGCCF-UHFFFAOYSA-N -1 0 368.371 -0.064 20 0 FBADRM COC(=O)Cc1ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])s1 ZINC000614375945 484460415 /nfs/dbraw/zinc/46/04/15/484460415.db2.gz KXNBBXUIUYMZSL-UHFFFAOYSA-N -1 0 351.402 -0.079 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(CCO)CCC(=O)[O-])C1 ZINC000614375953 484460195 /nfs/dbraw/zinc/46/01/95/484460195.db2.gz MKHMMHUHPLPGAL-LLVKDONJSA-N -1 0 352.409 -0.725 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(CCO)CCC(=O)[O-])C1 ZINC000614375954 484459718 /nfs/dbraw/zinc/45/97/18/484459718.db2.gz MKHMMHUHPLPGAL-NSHDSACASA-N -1 0 352.409 -0.725 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N(CCO)CCC(=O)[O-])ccc1OC ZINC000614375977 484459476 /nfs/dbraw/zinc/45/94/76/484459476.db2.gz PEIHLRMYJMBVIM-UHFFFAOYSA-N -1 0 361.372 -0.061 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N(CCO)CCC(=O)[O-])CC1 ZINC000614376006 484460468 /nfs/dbraw/zinc/46/04/68/484460468.db2.gz SXWGKXMGRRCHRI-UHFFFAOYSA-N -1 0 352.409 -0.725 20 0 FBADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)CNS(=O)(=O)N(C)C ZINC000614387453 484460046 /nfs/dbraw/zinc/46/00/46/484460046.db2.gz PQIOROBCIAGQBN-UHFFFAOYSA-N -1 0 354.392 -0.180 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000614390872 484460590 /nfs/dbraw/zinc/46/05/90/484460590.db2.gz UZWUGOTUAGEGQW-KPWVOAKYSA-N -1 0 363.461 -0.249 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000614390873 484459676 /nfs/dbraw/zinc/45/96/76/484459676.db2.gz UZWUGOTUAGEGQW-RKFFSXRUSA-N -1 0 363.461 -0.249 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000614390876 484460433 /nfs/dbraw/zinc/46/04/33/484460433.db2.gz UZWUGOTUAGEGQW-SAHAZLINSA-N -1 0 363.461 -0.249 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000614390878 484459973 /nfs/dbraw/zinc/45/99/73/484459973.db2.gz UZWUGOTUAGEGQW-XFNZEKPQSA-N -1 0 363.461 -0.249 20 0 FBADRM Cc1cc(C(=O)N[C@H](CO)CN2CCOCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000614409789 484461622 /nfs/dbraw/zinc/46/16/22/484461622.db2.gz LOLZQSAPGSTKGA-JTQLQIEISA-N -1 0 363.374 -0.833 20 0 FBADRM Cc1cc(C(=O)N[C@@H](CO)CN2CCOCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000614409790 484461466 /nfs/dbraw/zinc/46/14/66/484461466.db2.gz LOLZQSAPGSTKGA-SNVBAGLBSA-N -1 0 363.374 -0.833 20 0 FBADRM Cn1cc(C[C@@H](CO)CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])cn1 ZINC000614441993 484463027 /nfs/dbraw/zinc/46/30/27/484463027.db2.gz GPIGVINRYYQKBU-LLVKDONJSA-N -1 0 368.415 -0.646 20 0 FBADRM Cn1cc(C[C@H](CO)CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])cn1 ZINC000614441995 484463497 /nfs/dbraw/zinc/46/34/97/484463497.db2.gz GPIGVINRYYQKBU-NSHDSACASA-N -1 0 368.415 -0.646 20 0 FBADRM COCCn1cc(CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])cn1 ZINC000614479372 484466011 /nfs/dbraw/zinc/46/60/11/484466011.db2.gz YZUUCHHNIBYURY-UHFFFAOYSA-N -1 0 354.388 -0.188 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCC2(OCCO)CCOCC2)c1 ZINC000614496561 484465328 /nfs/dbraw/zinc/46/53/28/484465328.db2.gz XIDBXYHXZHVXDN-UHFFFAOYSA-N -1 0 374.415 -0.673 20 0 FBADRM CNS(=O)(=O)N1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CC1 ZINC000614504884 484467641 /nfs/dbraw/zinc/46/76/41/484467641.db2.gz XIQGGGKQSHPVHL-UHFFFAOYSA-N -1 0 367.387 -0.748 20 0 FBADRM O=C(CNS(=O)(=O)c1cccnc1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000614518775 484468806 /nfs/dbraw/zinc/46/88/06/484468806.db2.gz MHWNRQURHGKCCZ-JTQLQIEISA-N -1 0 366.403 -0.410 20 0 FBADRM O=C(CNS(=O)(=O)c1cccnc1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000614518776 484468841 /nfs/dbraw/zinc/46/88/41/484468841.db2.gz MHWNRQURHGKCCZ-SNVBAGLBSA-N -1 0 366.403 -0.410 20 0 FBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC000614519953 484469207 /nfs/dbraw/zinc/46/92/07/484469207.db2.gz XAKWRVOTQFHLCQ-NXEZZACHSA-N -1 0 358.424 -0.868 20 0 FBADRM NS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC000614519954 484469348 /nfs/dbraw/zinc/46/93/48/484469348.db2.gz XAKWRVOTQFHLCQ-UWVGGRQHSA-N -1 0 358.424 -0.868 20 0 FBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC000614519955 484469532 /nfs/dbraw/zinc/46/95/32/484469532.db2.gz XAKWRVOTQFHLCQ-VHSXEESVSA-N -1 0 358.424 -0.868 20 0 FBADRM NS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC000614519956 484469544 /nfs/dbraw/zinc/46/95/44/484469544.db2.gz XAKWRVOTQFHLCQ-ZJUUUORDSA-N -1 0 358.424 -0.868 20 0 FBADRM CS(=O)(=O)NC1CC(NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000614527257 484469858 /nfs/dbraw/zinc/46/98/58/484469858.db2.gz MJMRAOLXZIQQHC-UHFFFAOYSA-N -1 0 352.372 -0.160 20 0 FBADRM CCCN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@@H]1CC(=O)N(C)C1=O ZINC000614528878 484470205 /nfs/dbraw/zinc/47/02/05/484470205.db2.gz RGOXRIFDGOZCLH-LLVKDONJSA-N -1 0 369.399 -0.351 20 0 FBADRM CCCN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@H]1CC(=O)N(C)C1=O ZINC000614528896 484470670 /nfs/dbraw/zinc/47/06/70/484470670.db2.gz RGOXRIFDGOZCLH-NSHDSACASA-N -1 0 369.399 -0.351 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)c2cn(CCOC)nn2)ccc1[O-] ZINC000614560836 484486253 /nfs/dbraw/zinc/48/62/53/484486253.db2.gz HKGXTTLRKGJVCH-UHFFFAOYSA-N -1 0 355.376 -0.210 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CCc3nnnn3CC2)ccc1[O-] ZINC000614561409 484492320 /nfs/dbraw/zinc/49/23/20/484492320.db2.gz MKZFDBNOZMEYQG-SECBINFHSA-N -1 0 366.403 -0.122 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@H]2CCc3nnnn3CC2)ccc1[O-] ZINC000614561410 484492511 /nfs/dbraw/zinc/49/25/11/484492511.db2.gz MKZFDBNOZMEYQG-VIFPVBQESA-N -1 0 366.403 -0.122 20 0 FBADRM COCCN1C(=O)C[C@H](N2CCN(C(=O)c3ccccc3O)CC2)C1=O ZINC000614564337 484496932 /nfs/dbraw/zinc/49/69/32/484496932.db2.gz HHZLQKOOCUOLQO-AWEZNQCLSA-N -1 0 361.398 -0.076 20 0 FBADRM COCCN1C(=O)C[C@@H](N2CCN(C(=O)c3ccccc3O)CC2)C1=O ZINC000614564338 484496921 /nfs/dbraw/zinc/49/69/21/484496921.db2.gz HHZLQKOOCUOLQO-CQSZACIVSA-N -1 0 361.398 -0.076 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)N2C(=O)CCC2=O)ccc1[O-] ZINC000614568131 484509104 /nfs/dbraw/zinc/50/91/04/484509104.db2.gz BIGXENWQLMAPBV-MRVPVSSYSA-N -1 0 355.372 -0.224 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@H](C)N2C(=O)CCC2=O)ccc1[O-] ZINC000614568132 484508739 /nfs/dbraw/zinc/50/87/39/484508739.db2.gz BIGXENWQLMAPBV-QMMMGPOBSA-N -1 0 355.372 -0.224 20 0 FBADRM CCS(=O)(=O)N[C@H](C)C(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1 ZINC000614568134 484509158 /nfs/dbraw/zinc/50/91/58/484509158.db2.gz BJKSTYUICDYFOZ-MRVPVSSYSA-N -1 0 365.433 -0.433 20 0 FBADRM CCS(=O)(=O)N[C@@H](C)C(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1 ZINC000614568135 484509235 /nfs/dbraw/zinc/50/92/35/484509235.db2.gz BJKSTYUICDYFOZ-QMMMGPOBSA-N -1 0 365.433 -0.433 20 0 FBADRM CCC[C@@H](C(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1)S(N)(=O)=O ZINC000614568777 484510033 /nfs/dbraw/zinc/51/00/33/484510033.db2.gz JAEFAOBWJWUNGW-JTQLQIEISA-N -1 0 365.433 -0.304 20 0 FBADRM CCC[C@H](C(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1)S(N)(=O)=O ZINC000614568782 484510267 /nfs/dbraw/zinc/51/02/67/484510267.db2.gz JAEFAOBWJWUNGW-SNVBAGLBSA-N -1 0 365.433 -0.304 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@H](CO)NC(=O)C(C)C)ccc1[O-] ZINC000614568837 484510299 /nfs/dbraw/zinc/51/02/99/484510299.db2.gz JKLTZRXXAQOXRK-JTQLQIEISA-N -1 0 359.404 -0.628 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)ccc1[O-] ZINC000614568881 484511217 /nfs/dbraw/zinc/51/12/17/484511217.db2.gz KPYPBWCAZRZXSV-AMIZOPFISA-N -1 0 371.415 -0.486 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)ccc1[O-] ZINC000614568882 484510990 /nfs/dbraw/zinc/51/09/90/484510990.db2.gz KPYPBWCAZRZXSV-ISVAXAHUSA-N -1 0 371.415 -0.486 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)ccc1[O-] ZINC000614568883 484511242 /nfs/dbraw/zinc/51/12/42/484511242.db2.gz KPYPBWCAZRZXSV-OQPBUACISA-N -1 0 371.415 -0.486 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)ccc1[O-] ZINC000614568884 484511398 /nfs/dbraw/zinc/51/13/98/484511398.db2.gz KPYPBWCAZRZXSV-SDBXPKJASA-N -1 0 371.415 -0.486 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CCN=C3C2=NNN3C)ccc1[O-] ZINC000614569130 484510848 /nfs/dbraw/zinc/51/08/48/484510848.db2.gz MDRULJKAFOYSNQ-SECBINFHSA-N -1 0 366.403 -0.537 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@H]2CCN=C3C2=NNN3C)ccc1[O-] ZINC000614569131 484511415 /nfs/dbraw/zinc/51/14/15/484511415.db2.gz MDRULJKAFOYSNQ-VIFPVBQESA-N -1 0 366.403 -0.537 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CN2C(=O)NC(C)(C)C2=O)ccc1[O-] ZINC000614569142 484510760 /nfs/dbraw/zinc/51/07/60/484510760.db2.gz MTQQULVOQQWDTA-UHFFFAOYSA-N -1 0 370.387 -0.431 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CCCN2C(=O)CNC2=O)ccc1[O-] ZINC000614569424 484513123 /nfs/dbraw/zinc/51/31/23/484513123.db2.gz PNNVCKKFWYXGJZ-UHFFFAOYSA-N -1 0 370.387 -0.429 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)c2nc3n(n2)CCCN3)ccc1[O-] ZINC000614569486 484513722 /nfs/dbraw/zinc/51/37/22/484513722.db2.gz QYQHCCBDQLGVET-UHFFFAOYSA-N -1 0 352.376 -0.783 20 0 FBADRM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000614587203 484516746 /nfs/dbraw/zinc/51/67/46/484516746.db2.gz XJSDOPZLBGGWIG-NOZJJQNGSA-N -1 0 360.432 -0.073 20 0 FBADRM CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000614587204 484516438 /nfs/dbraw/zinc/51/64/38/484516438.db2.gz XJSDOPZLBGGWIG-RNCFNFMXSA-N -1 0 360.432 -0.073 20 0 FBADRM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000614587205 484516696 /nfs/dbraw/zinc/51/66/96/484516696.db2.gz XJSDOPZLBGGWIG-TVQRCGJNSA-N -1 0 360.432 -0.073 20 0 FBADRM CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000614587206 484516634 /nfs/dbraw/zinc/51/66/34/484516634.db2.gz XJSDOPZLBGGWIG-ZANVPECISA-N -1 0 360.432 -0.073 20 0 FBADRM C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000614715953 484540764 /nfs/dbraw/zinc/54/07/64/484540764.db2.gz FTZJJBWGNVUUJK-NEPJUHHUSA-N -1 0 369.443 -0.025 20 0 FBADRM C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000614715954 484540806 /nfs/dbraw/zinc/54/08/06/484540806.db2.gz FTZJJBWGNVUUJK-NWDGAFQWSA-N -1 0 369.443 -0.025 20 0 FBADRM C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000614715955 484540954 /nfs/dbraw/zinc/54/09/54/484540954.db2.gz FTZJJBWGNVUUJK-RYUDHWBXSA-N -1 0 369.443 -0.025 20 0 FBADRM C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000614715956 484540710 /nfs/dbraw/zinc/54/07/10/484540710.db2.gz FTZJJBWGNVUUJK-VXGBXAGGSA-N -1 0 369.443 -0.025 20 0 FBADRM C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C1(S(C)(=O)=O)CC1 ZINC000614729212 484543282 /nfs/dbraw/zinc/54/32/82/484543282.db2.gz APYDWHMGAGLJMJ-MRVPVSSYSA-N -1 0 362.429 -0.265 20 0 FBADRM C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C1(S(C)(=O)=O)CC1 ZINC000614729218 484543163 /nfs/dbraw/zinc/54/31/63/484543163.db2.gz APYDWHMGAGLJMJ-QMMMGPOBSA-N -1 0 362.429 -0.265 20 0 FBADRM CN(C)S(=O)(=O)NCCNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000614745077 484545213 /nfs/dbraw/zinc/54/52/13/484545213.db2.gz PAWGGEDYROJSIN-UHFFFAOYSA-N -1 0 355.376 -0.844 20 0 FBADRM NS(=O)(=O)CCOCCNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000614747624 484545280 /nfs/dbraw/zinc/54/52/80/484545280.db2.gz OEIPOCQHBZYHPT-UHFFFAOYSA-N -1 0 356.360 -0.935 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H]2CCN(C(N)=O)C2)c1 ZINC000614755164 484545409 /nfs/dbraw/zinc/54/54/09/484545409.db2.gz QDIOQSKQQYMIJT-JTQLQIEISA-N -1 0 370.431 -0.227 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H]2CCN(C(N)=O)C2)c1 ZINC000614755165 484544876 /nfs/dbraw/zinc/54/48/76/484544876.db2.gz QDIOQSKQQYMIJT-SNVBAGLBSA-N -1 0 370.431 -0.227 20 0 FBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000614762237 484547106 /nfs/dbraw/zinc/54/71/06/484547106.db2.gz DUYMBOLPDFKAMS-GHMZBOCLSA-N -1 0 366.422 -0.030 20 0 FBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000614762239 484547193 /nfs/dbraw/zinc/54/71/93/484547193.db2.gz DUYMBOLPDFKAMS-MNOVXSKESA-N -1 0 366.422 -0.030 20 0 FBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000614762241 484546474 /nfs/dbraw/zinc/54/64/74/484546474.db2.gz DUYMBOLPDFKAMS-QWRGUYRKSA-N -1 0 366.422 -0.030 20 0 FBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000614762243 484546702 /nfs/dbraw/zinc/54/67/02/484546702.db2.gz DUYMBOLPDFKAMS-WDEREUQCSA-N -1 0 366.422 -0.030 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000614809770 484553905 /nfs/dbraw/zinc/55/39/05/484553905.db2.gz CWYUHWFFVKBRDF-UHFFFAOYSA-N -1 0 372.428 -0.119 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cccc(NS(N)(=O)=O)c2)cc1C(N)=O ZINC000614810556 484553858 /nfs/dbraw/zinc/55/38/58/484553858.db2.gz RGGOCJMKYJQOIU-UHFFFAOYSA-N -1 0 373.416 -0.460 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]c3cnn(CC(N)=O)c3)cc2C1=O ZINC000614813981 484553782 /nfs/dbraw/zinc/55/37/82/484553782.db2.gz BVYWLGKDYWGHEO-UHFFFAOYSA-N -1 0 363.355 -0.605 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cc1 ZINC000614814024 484553245 /nfs/dbraw/zinc/55/32/45/484553245.db2.gz GJNSPWXLBGAPQV-UHFFFAOYSA-N -1 0 373.416 -0.923 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cnn(CC(N)=O)c1 ZINC000614814182 484554005 /nfs/dbraw/zinc/55/40/05/484554005.db2.gz NWJDLWQSCWOMFY-UHFFFAOYSA-N -1 0 372.428 -0.119 20 0 FBADRM COCCn1cc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cn1 ZINC000614836307 484558086 /nfs/dbraw/zinc/55/80/86/484558086.db2.gz BTZMUZZVEYICCQ-UHFFFAOYSA-N -1 0 360.417 -0.022 20 0 FBADRM COCCn1cc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cn1 ZINC000614836411 484558175 /nfs/dbraw/zinc/55/81/75/484558175.db2.gz LFWUSXADHVVRED-UHFFFAOYSA-N -1 0 360.417 -0.022 20 0 FBADRM CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000614840711 484559718 /nfs/dbraw/zinc/55/97/18/484559718.db2.gz UTRDDPWBAMEHFF-SECBINFHSA-N -1 0 369.403 -0.071 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cn1 ZINC000614849347 484567732 /nfs/dbraw/zinc/56/77/32/484567732.db2.gz HLXHJSHGDGCZLZ-UHFFFAOYSA-N -1 0 372.428 -0.167 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cn1 ZINC000614849485 484569862 /nfs/dbraw/zinc/56/98/62/484569862.db2.gz PHHRDURORSQFSP-UHFFFAOYSA-N -1 0 365.371 -0.239 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)cn1 ZINC000614849583 484568378 /nfs/dbraw/zinc/56/83/78/484568378.db2.gz QRJFJXSXMWZMGJ-UHFFFAOYSA-N -1 0 351.388 -0.163 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)cn1 ZINC000614849606 484567815 /nfs/dbraw/zinc/56/78/15/484567815.db2.gz UHEFNIHBDXSEAV-UHFFFAOYSA-N -1 0 372.428 -0.167 20 0 FBADRM CNC(=O)c1cc(O[C@H]2CCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)ccn1 ZINC000614866050 484588132 /nfs/dbraw/zinc/58/81/32/484588132.db2.gz YEXOBRBDKORXFX-JTQLQIEISA-N -1 0 374.357 -0.279 20 0 FBADRM CNC(=O)c1cc(O[C@@H]2CCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)ccn1 ZINC000614866055 484587761 /nfs/dbraw/zinc/58/77/61/484587761.db2.gz YEXOBRBDKORXFX-SNVBAGLBSA-N -1 0 374.357 -0.279 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@H]2CN2CCOCC2)c1 ZINC000614958317 484714537 /nfs/dbraw/zinc/71/45/37/484714537.db2.gz JGASZWHQPCAGOP-LBPRGKRZSA-N -1 0 369.443 -0.024 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCc2cc3n(n2)CCCO3)c1 ZINC000614968614 484718551 /nfs/dbraw/zinc/71/85/51/484718551.db2.gz GGDQHDDIZYAQBO-UHFFFAOYSA-N -1 0 352.372 -0.051 20 0 FBADRM Nc1n[nH]c(CCNC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)n1 ZINC000615014932 484550085 /nfs/dbraw/zinc/55/00/85/484550085.db2.gz LAVOPFPBIDFNLP-UHFFFAOYSA-N -1 0 360.346 -0.698 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCCc2nc(N)n[nH]2)c1 ZINC000615022475 484496340 /nfs/dbraw/zinc/49/63/40/484496340.db2.gz LABGCXDVMWZNPC-UHFFFAOYSA-N -1 0 354.392 -0.685 20 0 FBADRM C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@H](C)S1(=O)=O ZINC000615059036 484780716 /nfs/dbraw/zinc/78/07/16/484780716.db2.gz QCBJKZQIFOQJCE-DTORHVGOSA-N -1 0 362.429 -0.313 20 0 FBADRM C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@H](C)S1(=O)=O ZINC000615059037 484781312 /nfs/dbraw/zinc/78/13/12/484781312.db2.gz QCBJKZQIFOQJCE-IUCAKERBSA-N -1 0 362.429 -0.313 20 0 FBADRM C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@@H](C)S1(=O)=O ZINC000615059039 484780468 /nfs/dbraw/zinc/78/04/68/484780468.db2.gz QCBJKZQIFOQJCE-RKDXNWHRSA-N -1 0 362.429 -0.313 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N(CCN1CCOCC1)[C@H]1CCSC1 ZINC000615094220 484810156 /nfs/dbraw/zinc/81/01/56/484810156.db2.gz CMGAOZAKSLUBEV-JTQLQIEISA-N -1 0 355.420 -0.437 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N(CCN1CCOCC1)[C@@H]1CCSC1 ZINC000615094225 484811137 /nfs/dbraw/zinc/81/11/37/484811137.db2.gz CMGAOZAKSLUBEV-SNVBAGLBSA-N -1 0 355.420 -0.437 20 0 FBADRM NC(=O)C1(CNS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CCOCC1 ZINC000615212321 484977409 /nfs/dbraw/zinc/97/74/09/484977409.db2.gz KQEGCSILFZLNNW-UHFFFAOYSA-N -1 0 372.399 -0.290 20 0 FBADRM CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)c1cc(=O)n(C)[n-]1 ZINC000615241190 485004969 /nfs/dbraw/zinc/00/49/69/485004969.db2.gz BYLXKWLAODGQJE-UHFFFAOYSA-N -1 0 354.388 -0.076 20 0 FBADRM CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000615265505 485030009 /nfs/dbraw/zinc/03/00/09/485030009.db2.gz HUXVJSYYUZRKMO-GFCCVEGCSA-N -1 0 369.399 -0.600 20 0 FBADRM CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000615265506 485030569 /nfs/dbraw/zinc/03/05/69/485030569.db2.gz HUXVJSYYUZRKMO-LBPRGKRZSA-N -1 0 369.399 -0.600 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CC(O)(CO)C2)c1 ZINC000615426448 484333335 /nfs/dbraw/zinc/33/33/35/484333335.db2.gz DGURKNZQBNIWOZ-UHFFFAOYSA-N -1 0 357.388 -0.804 20 0 FBADRM Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)N2CC(O)(CO)C2)cn1 ZINC000615426914 484336089 /nfs/dbraw/zinc/33/60/89/484336089.db2.gz PIBIBIUXPVELBN-UHFFFAOYSA-N -1 0 372.428 -0.538 20 0 FBADRM O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])N1CC(O)(CO)C1 ZINC000615430120 484343121 /nfs/dbraw/zinc/34/31/21/484343121.db2.gz SDWFOEIYUNTRPZ-UHFFFAOYSA-N -1 0 356.400 -0.644 20 0 FBADRM COc1cc(C(=O)N2CC(O)(CO)C2)cc([N-]S(C)(=O)=O)c1OC ZINC000615431062 484342704 /nfs/dbraw/zinc/34/27/04/484342704.db2.gz ZFQWMLVJUGFIOF-UHFFFAOYSA-N -1 0 360.388 -0.746 20 0 FBADRM CN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@H]1CCN2CCO[C@H]1C2 ZINC000615460356 660219762 /nfs/dbraw/zinc/21/97/62/660219762.db2.gz IXGGSBZJLQTGSV-JSGCOSHPSA-N -1 0 355.416 -0.415 20 0 FBADRM CN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@@H]1CCN2CCO[C@H]1C2 ZINC000615460357 660219689 /nfs/dbraw/zinc/21/96/89/660219689.db2.gz IXGGSBZJLQTGSV-OCCSQVGLSA-N -1 0 355.416 -0.415 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCOCCN2)c1 ZINC000615490662 484374763 /nfs/dbraw/zinc/37/47/63/484374763.db2.gz ZATIICCYXKSOIE-UHFFFAOYSA-N -1 0 356.404 -0.007 20 0 FBADRM O=C(c1cccc(C(=O)N2CCOCCN2)c1[O-])N1CCOCCN1 ZINC000615500087 484375239 /nfs/dbraw/zinc/37/52/39/484375239.db2.gz VPPCTWFBFCHQCG-UHFFFAOYSA-N -1 0 350.375 -0.654 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000615556460 484378270 /nfs/dbraw/zinc/37/82/70/484378270.db2.gz BJBHQMBHGBALNO-GFCCVEGCSA-N -1 0 369.443 -0.024 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@H](N3CCOCC3)C2)c1 ZINC000615556462 484377995 /nfs/dbraw/zinc/37/79/95/484377995.db2.gz BJBHQMBHGBALNO-LBPRGKRZSA-N -1 0 369.443 -0.024 20 0 FBADRM O=C(NC[C@@]1(O)CCS(=O)(=O)C1)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000615671171 484388591 /nfs/dbraw/zinc/38/85/91/484388591.db2.gz XKEZZJYZXLXOHL-AWEZNQCLSA-N -1 0 353.356 -0.691 20 0 FBADRM O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000615671172 484388143 /nfs/dbraw/zinc/38/81/43/484388143.db2.gz XKEZZJYZXLXOHL-CQSZACIVSA-N -1 0 353.356 -0.691 20 0 FBADRM CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)c1cc(=O)[nH][n-]1 ZINC000615685177 484388204 /nfs/dbraw/zinc/38/82/04/484388204.db2.gz KKDXFJZVHJEBPL-UHFFFAOYSA-N -1 0 353.404 -0.029 20 0 FBADRM CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)c1cc(=O)n(C)[n-]1 ZINC000615688365 484388068 /nfs/dbraw/zinc/38/80/68/484388068.db2.gz VXTXASRBLKEMNA-UHFFFAOYSA-N -1 0 367.431 -0.019 20 0 FBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000615698188 660221103 /nfs/dbraw/zinc/22/11/03/660221103.db2.gz TVWBVVRIVALEBB-MRVPVSSYSA-N -1 0 365.433 -0.903 20 0 FBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000615698189 660221331 /nfs/dbraw/zinc/22/13/31/660221331.db2.gz TVWBVVRIVALEBB-QMMMGPOBSA-N -1 0 365.433 -0.903 20 0 FBADRM Cc1noc(=NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)[n-]1 ZINC000615712469 660221314 /nfs/dbraw/zinc/22/13/14/660221314.db2.gz WTQOPIFDMJPPJM-UHFFFAOYSA-N -1 0 355.376 -0.588 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCS(=O)(=O)C[C@@H]2C2CC2)c1 ZINC000615767187 484403316 /nfs/dbraw/zinc/40/33/16/484403316.db2.gz IWLLJGIAGQBMLW-GFCCVEGCSA-N -1 0 374.440 -0.311 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCS(=O)(=O)C[C@H]2C2CC2)c1 ZINC000615767188 484403069 /nfs/dbraw/zinc/40/30/69/484403069.db2.gz IWLLJGIAGQBMLW-LBPRGKRZSA-N -1 0 374.440 -0.311 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCN(c3ncns3)CC2)c1 ZINC000615808648 484408862 /nfs/dbraw/zinc/40/88/62/484408862.db2.gz SEOWABPNSBNYFL-UHFFFAOYSA-N -1 0 369.428 -0.147 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000615858718 484431591 /nfs/dbraw/zinc/43/15/91/484431591.db2.gz VTISLGDTAFQPDY-PHIMTYICSA-N -1 0 355.416 -0.367 20 0 FBADRM C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@H](C)N1CCO ZINC000615864506 484433132 /nfs/dbraw/zinc/43/31/32/484433132.db2.gz UJNMGYKFDWETTC-PHIMTYICSA-N -1 0 357.432 -0.433 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)CNC(=O)c2ccncc2)s1 ZINC000615885244 484439509 /nfs/dbraw/zinc/43/95/09/484439509.db2.gz RXNCVSGSFJBXKA-UHFFFAOYSA-N -1 0 356.389 -0.327 20 0 FBADRM COCCn1cc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)ccc1=O ZINC000615886595 484440056 /nfs/dbraw/zinc/44/00/56/484440056.db2.gz KKSDBVTVHGMZTD-UHFFFAOYSA-N -1 0 373.416 -0.030 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@@H]32)c1 ZINC000616108053 484485598 /nfs/dbraw/zinc/48/55/98/484485598.db2.gz NYSDLTKJXAAHNR-AAEUAGOBSA-N -1 0 374.440 -0.169 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@H]32)c1 ZINC000616108058 484485817 /nfs/dbraw/zinc/48/58/17/484485817.db2.gz NYSDLTKJXAAHNR-DGCLKSJQSA-N -1 0 374.440 -0.169 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)c1 ZINC000616108060 484485509 /nfs/dbraw/zinc/48/55/09/484485509.db2.gz NYSDLTKJXAAHNR-WCQYABFASA-N -1 0 374.440 -0.169 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)c1 ZINC000616108062 484485638 /nfs/dbraw/zinc/48/56/38/484485638.db2.gz NYSDLTKJXAAHNR-YPMHNXCESA-N -1 0 374.440 -0.169 20 0 FBADRM CN(C)C(=O)N[C@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000616124699 484486443 /nfs/dbraw/zinc/48/64/43/484486443.db2.gz NVQWLHYIWSPRIP-JTQLQIEISA-N -1 0 370.431 -0.085 20 0 FBADRM CN(C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000616124700 484486633 /nfs/dbraw/zinc/48/66/33/484486633.db2.gz NVQWLHYIWSPRIP-SNVBAGLBSA-N -1 0 370.431 -0.085 20 0 FBADRM COC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2cnnn2C)cc1 ZINC000616175531 484489881 /nfs/dbraw/zinc/48/98/81/484489881.db2.gz SBHLPFGHIUZIBQ-UHFFFAOYSA-N -1 0 353.360 -0.481 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)cn1C ZINC000616176402 484489468 /nfs/dbraw/zinc/48/94/68/484489468.db2.gz NOJAQBPISVWCHD-BXKDBHETSA-N -1 0 360.388 -0.342 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)cn1C ZINC000616176403 484490490 /nfs/dbraw/zinc/49/04/90/484490490.db2.gz NOJAQBPISVWCHD-CABZTGNLSA-N -1 0 360.388 -0.342 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)cn1C ZINC000616176404 484490188 /nfs/dbraw/zinc/49/01/88/484490188.db2.gz NOJAQBPISVWCHD-JOYOIKCWSA-N -1 0 360.388 -0.342 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)cn1C ZINC000616176405 484489340 /nfs/dbraw/zinc/48/93/40/484489340.db2.gz NOJAQBPISVWCHD-SKDRFNHKSA-N -1 0 360.388 -0.342 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)c1 ZINC000616191461 484491838 /nfs/dbraw/zinc/49/18/38/484491838.db2.gz ULWDZXQOUZSRCZ-BXKDBHETSA-N -1 0 353.400 -0.077 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)c1 ZINC000616191462 484491274 /nfs/dbraw/zinc/49/12/74/484491274.db2.gz ULWDZXQOUZSRCZ-CABZTGNLSA-N -1 0 353.400 -0.077 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)c1 ZINC000616191463 484491100 /nfs/dbraw/zinc/49/11/00/484491100.db2.gz ULWDZXQOUZSRCZ-JOYOIKCWSA-N -1 0 353.400 -0.077 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2C[C@H]3CCCCN3C2=O)c1 ZINC000616191464 484491244 /nfs/dbraw/zinc/49/12/44/484491244.db2.gz ULWDZXQOUZSRCZ-SKDRFNHKSA-N -1 0 353.400 -0.077 20 0 FBADRM CC(C)NS(=O)(=O)N1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC000616206639 483709917 /nfs/dbraw/zinc/70/99/17/483709917.db2.gz PFPPTXUNPAFWOK-UHFFFAOYSA-N -1 0 369.403 -0.071 20 0 FBADRM CN(C)S(=O)(=O)N[C@H](CNC(=O)c1cc(=O)n(C)[n-]1)C1CCCC1 ZINC000616206979 483709783 /nfs/dbraw/zinc/70/97/83/483709783.db2.gz WCDVSOZWJSICDT-GFCCVEGCSA-N -1 0 359.452 -0.190 20 0 FBADRM CN(C)S(=O)(=O)N[C@@H](CNC(=O)c1cc(=O)n(C)[n-]1)C1CCCC1 ZINC000616206980 483709864 /nfs/dbraw/zinc/70/98/64/483709864.db2.gz WCDVSOZWJSICDT-LBPRGKRZSA-N -1 0 359.452 -0.190 20 0 FBADRM COCCNC(=O)C1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000616247108 483566950 /nfs/dbraw/zinc/56/69/50/483566950.db2.gz ZCBSIFBNYDPLQY-UHFFFAOYSA-N -1 0 357.388 -0.935 20 0 FBADRM CC(C)(CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-])S(C)(=O)=O ZINC000616276332 483585697 /nfs/dbraw/zinc/58/56/97/483585697.db2.gz CQIUNLDTCAZLBL-UHFFFAOYSA-N -1 0 364.445 -0.017 20 0 FBADRM CC(C)(CN1CCOCC1)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000616287045 483588453 /nfs/dbraw/zinc/58/84/53/483588453.db2.gz RROBMRAFOLMDML-UHFFFAOYSA-N -1 0 357.432 -0.120 20 0 FBADRM CCS(=O)(=O)CCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000616314687 483421176 /nfs/dbraw/zinc/42/11/76/483421176.db2.gz XMWJFKMXUQEJOC-UHFFFAOYSA-N -1 0 350.418 -0.406 20 0 FBADRM NC(=O)c1cn(CCCCNC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)nn1 ZINC000616325388 483643558 /nfs/dbraw/zinc/64/35/58/483643558.db2.gz CJQNMLSYWPSZKY-UHFFFAOYSA-N -1 0 371.357 -0.070 20 0 FBADRM C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])[C@H](C)CN1CCO ZINC000616342064 483399614 /nfs/dbraw/zinc/39/96/14/483399614.db2.gz VCRPSDMXGAKHHO-GHMZBOCLSA-N -1 0 357.432 -0.433 20 0 FBADRM C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])[C@@H](C)CN1CCO ZINC000616342065 483399914 /nfs/dbraw/zinc/39/99/14/483399914.db2.gz VCRPSDMXGAKHHO-MNOVXSKESA-N -1 0 357.432 -0.433 20 0 FBADRM C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])[C@@H](C)CN1CCO ZINC000616342066 483399375 /nfs/dbraw/zinc/39/93/75/483399375.db2.gz VCRPSDMXGAKHHO-QWRGUYRKSA-N -1 0 357.432 -0.433 20 0 FBADRM C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000616342067 483399302 /nfs/dbraw/zinc/39/93/02/483399302.db2.gz VCRPSDMXGAKHHO-WDEREUQCSA-N -1 0 357.432 -0.433 20 0 FBADRM COC(=O)Cc1cccc([N-]S(=O)(=O)c2cnn(CC(=O)OC)c2)n1 ZINC000616342885 483399237 /nfs/dbraw/zinc/39/92/37/483399237.db2.gz XRZPQPUHGOYURH-UHFFFAOYSA-N -1 0 368.371 -0.033 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)cn2)cn1 ZINC000616346112 483399583 /nfs/dbraw/zinc/39/95/83/483399583.db2.gz ABZAZLATHGFVNQ-UHFFFAOYSA-N -1 0 363.359 -0.167 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2CCc3nnnn3CC2)c1 ZINC000616390535 483414303 /nfs/dbraw/zinc/41/43/03/483414303.db2.gz DLQYYYJIFONEQM-MRVPVSSYSA-N -1 0 352.376 -0.839 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2CCc3nnnn3CC2)c1 ZINC000616390536 483414087 /nfs/dbraw/zinc/41/40/87/483414087.db2.gz DLQYYYJIFONEQM-QMMMGPOBSA-N -1 0 352.376 -0.839 20 0 FBADRM CC(C)(CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@]1(O)CCOC1 ZINC000616481193 483624877 /nfs/dbraw/zinc/62/48/77/483624877.db2.gz UGGCGZUEUYUNQH-HNNXBMFYSA-N -1 0 358.416 -0.053 20 0 FBADRM CC(C)(CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@@]1(O)CCOC1 ZINC000616481194 483625436 /nfs/dbraw/zinc/62/54/36/483625436.db2.gz UGGCGZUEUYUNQH-OAHLLOKOSA-N -1 0 358.416 -0.053 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000616499040 483626524 /nfs/dbraw/zinc/62/65/24/483626524.db2.gz SDDSLJYBRBOOMA-UHFFFAOYSA-N -1 0 351.388 -0.202 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000616505816 483627497 /nfs/dbraw/zinc/62/74/97/483627497.db2.gz RQEKYUSMQNFOCF-UHFFFAOYSA-N -1 0 355.351 -0.204 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)cc1 ZINC000616505829 483627166 /nfs/dbraw/zinc/62/71/66/483627166.db2.gz SMLFZNRYSJMVQG-UHFFFAOYSA-N -1 0 351.388 -0.035 20 0 FBADRM O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1n[nH]c(=O)[n-]1 ZINC000616518830 483628161 /nfs/dbraw/zinc/62/81/61/483628161.db2.gz UBMDOZBURAIRDS-UHFFFAOYSA-N -1 0 367.387 -0.539 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000616529875 483628999 /nfs/dbraw/zinc/62/89/99/483628999.db2.gz WYUJJXHABCSOGD-LLVKDONJSA-N -1 0 352.372 -0.206 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000616529876 483628817 /nfs/dbraw/zinc/62/88/17/483628817.db2.gz WYUJJXHABCSOGD-NSHDSACASA-N -1 0 352.372 -0.206 20 0 FBADRM Cn1nccc1[C@H]1COCCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000616566415 483632908 /nfs/dbraw/zinc/63/29/08/483632908.db2.gz PDNMRHNDBXGHEY-CYBMUJFWSA-N -1 0 366.399 -0.013 20 0 FBADRM Cn1nccc1[C@@H]1COCCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000616566416 483632851 /nfs/dbraw/zinc/63/28/51/483632851.db2.gz PDNMRHNDBXGHEY-ZDUSSCGKSA-N -1 0 366.399 -0.013 20 0 FBADRM CC(C)(C)n1nnc(CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])n1 ZINC000616699108 483642159 /nfs/dbraw/zinc/64/21/59/483642159.db2.gz UWVIMYCFFFIUIE-UHFFFAOYSA-N -1 0 354.392 -0.289 20 0 FBADRM Cn1nnc2c1CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C2 ZINC000616702664 483644457 /nfs/dbraw/zinc/64/44/57/483644457.db2.gz BAEHZVFSLLSLCJ-MRVPVSSYSA-N -1 0 351.388 -0.545 20 0 FBADRM Cn1nnc2c1CC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C2 ZINC000616702665 483644782 /nfs/dbraw/zinc/64/47/82/483644782.db2.gz BAEHZVFSLLSLCJ-QMMMGPOBSA-N -1 0 351.388 -0.545 20 0 FBADRM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1n[nH]c(=O)[n-]1 ZINC000616778800 483823612 /nfs/dbraw/zinc/82/36/12/483823612.db2.gz QMWLQTMFOSNBDP-UHFFFAOYSA-N -1 0 369.359 -0.511 20 0 FBADRM O=C(N[C@H]1CCNC1=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000616967456 483589533 /nfs/dbraw/zinc/58/95/33/483589533.db2.gz COCAEYDDUQRZFV-LBPRGKRZSA-N -1 0 353.400 -0.205 20 0 FBADRM O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1n[nH]c(=O)[n-]1 ZINC000616983221 483592486 /nfs/dbraw/zinc/59/24/86/483592486.db2.gz LQCPGFLKFYTWHH-UHFFFAOYSA-N -1 0 373.416 -0.477 20 0 FBADRM CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC000617004964 483596172 /nfs/dbraw/zinc/59/61/72/483596172.db2.gz GVEBLWDMPVSHLM-UHFFFAOYSA-N -1 0 372.451 -0.223 20 0 FBADRM O=C([O-])c1ccc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1 ZINC000617120560 483758755 /nfs/dbraw/zinc/75/87/55/483758755.db2.gz DNTMOJKOJFLTSL-UHFFFAOYSA-N -1 0 374.353 -0.787 20 0 FBADRM CO[C@@H](CNC(=O)CNS(=O)(=O)c1cn(C)c(C)n1)[C@@H]1CCOC1 ZINC000617142404 483873406 /nfs/dbraw/zinc/87/34/06/483873406.db2.gz FCIAHHGEFCNALV-NEPJUHHUSA-N -1 0 360.436 -0.825 20 0 FBADRM CO[C@H](CNC(=O)CNS(=O)(=O)c1cn(C)c(C)n1)[C@H]1CCOC1 ZINC000617142405 483873623 /nfs/dbraw/zinc/87/36/23/483873623.db2.gz FCIAHHGEFCNALV-NWDGAFQWSA-N -1 0 360.436 -0.825 20 0 FBADRM CO[C@@H](CNC(=O)CNS(=O)(=O)c1cn(C)c(C)n1)[C@H]1CCOC1 ZINC000617142406 483873599 /nfs/dbraw/zinc/87/35/99/483873599.db2.gz FCIAHHGEFCNALV-RYUDHWBXSA-N -1 0 360.436 -0.825 20 0 FBADRM CO[C@H](CNC(=O)CNS(=O)(=O)c1cn(C)c(C)n1)[C@@H]1CCOC1 ZINC000617142407 483873185 /nfs/dbraw/zinc/87/31/85/483873185.db2.gz FCIAHHGEFCNALV-VXGBXAGGSA-N -1 0 360.436 -0.825 20 0 FBADRM CO[C@H](CNC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)[C@@H]1CCOC1 ZINC000617142972 483873482 /nfs/dbraw/zinc/87/34/82/483873482.db2.gz LJZAJHWLPDPETA-CHWSQXEVSA-N -1 0 374.463 -0.435 20 0 FBADRM CO[C@@H](CNC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)[C@@H]1CCOC1 ZINC000617142973 483873439 /nfs/dbraw/zinc/87/34/39/483873439.db2.gz LJZAJHWLPDPETA-OLZOCXBDSA-N -1 0 374.463 -0.435 20 0 FBADRM CO[C@H](CNC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)[C@H]1CCOC1 ZINC000617142974 483873387 /nfs/dbraw/zinc/87/33/87/483873387.db2.gz LJZAJHWLPDPETA-QWHCGFSZSA-N -1 0 374.463 -0.435 20 0 FBADRM CO[C@@H](CNC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)[C@H]1CCOC1 ZINC000617142975 483873476 /nfs/dbraw/zinc/87/34/76/483873476.db2.gz LJZAJHWLPDPETA-STQMWFEESA-N -1 0 374.463 -0.435 20 0 FBADRM COC(=O)c1cc(F)cc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC000617687807 484458100 /nfs/dbraw/zinc/45/81/00/484458100.db2.gz RZTXHKZNKOCOMT-UHFFFAOYSA-N -1 0 372.334 -0.120 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000617687812 484458314 /nfs/dbraw/zinc/45/83/14/484458314.db2.gz VZSIVTFAYHRFPM-UHFFFAOYSA-N -1 0 361.361 -0.802 20 0 FBADRM Cc1cc(C(=O)NC[C@@]2(OCCO)CCOC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000617710554 484461110 /nfs/dbraw/zinc/46/11/10/484461110.db2.gz PDPHPZNDSWGFFQ-INIZCTEOSA-N -1 0 364.358 -0.358 20 0 FBADRM Cc1cc(C(=O)NC[C@]2(OCCO)CCOC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000617710555 484460814 /nfs/dbraw/zinc/46/08/14/484460814.db2.gz PDPHPZNDSWGFFQ-MRXNPFEDSA-N -1 0 364.358 -0.358 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@]1(OCCO)CCOC1 ZINC000617716341 484462185 /nfs/dbraw/zinc/46/21/85/484462185.db2.gz MHPPCDIRNZANSK-HNNXBMFYSA-N -1 0 358.416 -0.044 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@]1(OCCO)CCOC1 ZINC000617716342 484462317 /nfs/dbraw/zinc/46/23/17/484462317.db2.gz MHPPCDIRNZANSK-OAHLLOKOSA-N -1 0 358.416 -0.044 20 0 FBADRM C[C@@H]1CN(CCNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])[C@H](C)CO1 ZINC000617719914 484464990 /nfs/dbraw/zinc/46/49/90/484464990.db2.gz WBHYWJLGWWDYPP-GHMZBOCLSA-N -1 0 357.432 -0.121 20 0 FBADRM C[C@@H]1CO[C@@H](C)CN1CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000617719915 484464862 /nfs/dbraw/zinc/46/48/62/484464862.db2.gz WBHYWJLGWWDYPP-MNOVXSKESA-N -1 0 357.432 -0.121 20 0 FBADRM C[C@H]1CN(CCNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])[C@@H](C)CO1 ZINC000617719916 484464686 /nfs/dbraw/zinc/46/46/86/484464686.db2.gz WBHYWJLGWWDYPP-QWRGUYRKSA-N -1 0 357.432 -0.121 20 0 FBADRM C[C@@H]1CN(CCNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])[C@@H](C)CO1 ZINC000617719917 484464278 /nfs/dbraw/zinc/46/42/78/484464278.db2.gz WBHYWJLGWWDYPP-WDEREUQCSA-N -1 0 357.432 -0.121 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NCCN2C[C@H](C)OC[C@H]2C)cn1C ZINC000617735169 484466212 /nfs/dbraw/zinc/46/62/12/484466212.db2.gz MNSRGMRJQMDXDN-NEPJUHHUSA-N -1 0 373.479 -0.768 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NCCN2C[C@@H](C)OC[C@@H]2C)cn1C ZINC000617735170 484466012 /nfs/dbraw/zinc/46/60/12/484466012.db2.gz MNSRGMRJQMDXDN-NWDGAFQWSA-N -1 0 373.479 -0.768 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NCCN2C[C@H](C)OC[C@@H]2C)cn1C ZINC000617735171 484465818 /nfs/dbraw/zinc/46/58/18/484465818.db2.gz MNSRGMRJQMDXDN-RYUDHWBXSA-N -1 0 373.479 -0.768 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NCCN2C[C@@H](C)OC[C@H]2C)cn1C ZINC000617735172 484465833 /nfs/dbraw/zinc/46/58/33/484465833.db2.gz MNSRGMRJQMDXDN-VXGBXAGGSA-N -1 0 373.479 -0.768 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000617869589 483494798 /nfs/dbraw/zinc/49/47/98/483494798.db2.gz VKOZUIVIPVMACG-GHMZBOCLSA-N -1 0 353.356 -0.428 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000617869590 483495092 /nfs/dbraw/zinc/49/50/92/483495092.db2.gz VKOZUIVIPVMACG-MNOVXSKESA-N -1 0 353.356 -0.428 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000617869591 483494281 /nfs/dbraw/zinc/49/42/81/483494281.db2.gz VKOZUIVIPVMACG-QWRGUYRKSA-N -1 0 353.356 -0.428 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000617869592 483495152 /nfs/dbraw/zinc/49/51/52/483495152.db2.gz VKOZUIVIPVMACG-WDEREUQCSA-N -1 0 353.356 -0.428 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000617873189 484251661 /nfs/dbraw/zinc/25/16/61/484251661.db2.gz WJADSZYECHQHLW-NEPJUHHUSA-N -1 0 362.429 -0.400 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000617873190 484251089 /nfs/dbraw/zinc/25/10/89/484251089.db2.gz WJADSZYECHQHLW-NWDGAFQWSA-N -1 0 362.429 -0.400 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000617873191 484251276 /nfs/dbraw/zinc/25/12/76/484251276.db2.gz WJADSZYECHQHLW-RYUDHWBXSA-N -1 0 362.429 -0.400 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000617873192 484251569 /nfs/dbraw/zinc/25/15/69/484251569.db2.gz WJADSZYECHQHLW-VXGBXAGGSA-N -1 0 362.429 -0.400 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000617879981 483881129 /nfs/dbraw/zinc/88/11/29/483881129.db2.gz JIDQOOCAEOTRKM-NEPJUHHUSA-N -1 0 368.415 -0.478 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000617879982 483881086 /nfs/dbraw/zinc/88/10/86/483881086.db2.gz JIDQOOCAEOTRKM-NWDGAFQWSA-N -1 0 368.415 -0.478 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000617879983 483881052 /nfs/dbraw/zinc/88/10/52/483881052.db2.gz JIDQOOCAEOTRKM-RYUDHWBXSA-N -1 0 368.415 -0.478 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000617879984 483880822 /nfs/dbraw/zinc/88/08/22/483880822.db2.gz JIDQOOCAEOTRKM-VXGBXAGGSA-N -1 0 368.415 -0.478 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000617881763 483886360 /nfs/dbraw/zinc/88/63/60/483886360.db2.gz BXSKPVFAQVGLIL-BDAKNGLRSA-N -1 0 368.371 -0.714 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000617881764 483886437 /nfs/dbraw/zinc/88/64/37/483886437.db2.gz BXSKPVFAQVGLIL-DTWKUNHWSA-N -1 0 368.371 -0.714 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000617881765 483886376 /nfs/dbraw/zinc/88/63/76/483886376.db2.gz BXSKPVFAQVGLIL-IUCAKERBSA-N -1 0 368.371 -0.714 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000617881766 483886394 /nfs/dbraw/zinc/88/63/94/483886394.db2.gz BXSKPVFAQVGLIL-RKDXNWHRSA-N -1 0 368.371 -0.714 20 0 FBADRM CCN(C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)[C@@H]1CC[N@H+](CC)C1 ZINC000617928134 484216826 /nfs/dbraw/zinc/21/68/26/484216826.db2.gz JXYTXUFZMZGCFM-LLVKDONJSA-N -1 0 372.447 -0.401 20 0 FBADRM CCN(C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)[C@H]1CC[N@H+](CC)C1 ZINC000617928135 484216726 /nfs/dbraw/zinc/21/67/26/484216726.db2.gz JXYTXUFZMZGCFM-NSHDSACASA-N -1 0 372.447 -0.401 20 0 FBADRM COCc1n[nH]c(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])n1 ZINC000617935856 484493437 /nfs/dbraw/zinc/49/34/37/484493437.db2.gz SYSKJJHQWYYQQG-UHFFFAOYSA-N -1 0 369.403 -0.163 20 0 FBADRM CCNC(=O)CNC(=O)c1cccc(C(=O)NCC(=O)NCC)c1[O-] ZINC000617965689 483572008 /nfs/dbraw/zinc/57/20/08/483572008.db2.gz VEYVWRHBFQEOLN-UHFFFAOYSA-N -1 0 350.375 -0.876 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCC(O)(CO)CC1 ZINC000618244499 483832994 /nfs/dbraw/zinc/83/29/94/483832994.db2.gz AVFLEXJGGXJLST-UHFFFAOYSA-N -1 0 364.370 -0.411 20 0 FBADRM C[C@@H]1CC[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CS1(=O)=O ZINC000618330445 484143293 /nfs/dbraw/zinc/14/32/93/484143293.db2.gz MKBSJSHURGACEQ-BDAKNGLRSA-N -1 0 362.429 -0.265 20 0 FBADRM C[C@H]1CC[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CS1(=O)=O ZINC000618330446 484143744 /nfs/dbraw/zinc/14/37/44/484143744.db2.gz MKBSJSHURGACEQ-DTWKUNHWSA-N -1 0 362.429 -0.265 20 0 FBADRM C[C@H]1CC[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CS1(=O)=O ZINC000618330447 484143494 /nfs/dbraw/zinc/14/34/94/484143494.db2.gz MKBSJSHURGACEQ-IUCAKERBSA-N -1 0 362.429 -0.265 20 0 FBADRM C[C@@H]1CC[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CS1(=O)=O ZINC000618330448 484145362 /nfs/dbraw/zinc/14/53/62/484145362.db2.gz MKBSJSHURGACEQ-RKDXNWHRSA-N -1 0 362.429 -0.265 20 0 FBADRM CC(C)Cc1nc(=NC(=O)CNS(=O)(=O)c2cnn(C)c2)s[n-]1 ZINC000618346807 484501992 /nfs/dbraw/zinc/50/19/92/484501992.db2.gz IKYMOYCTKLUNNE-UHFFFAOYSA-N -1 0 358.449 -0.191 20 0 FBADRM CC(C)Cc1nc(=NC(=O)CN2CCN(S(C)(=O)=O)CC2)s[n-]1 ZINC000618348176 484502314 /nfs/dbraw/zinc/50/23/14/484502314.db2.gz FAZPDMMVYNEJIV-UHFFFAOYSA-N -1 0 361.493 -0.326 20 0 FBADRM CC(C)Cc1nc(=NC(=O)CNS(=O)(=O)c2cn(C)cn2)s[n-]1 ZINC000618348435 484501782 /nfs/dbraw/zinc/50/17/82/484501782.db2.gz ONBGXKUIJWXMMQ-UHFFFAOYSA-N -1 0 358.449 -0.191 20 0 FBADRM CC(C)Cc1nc(=NC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)s[n-]1 ZINC000618349232 484502000 /nfs/dbraw/zinc/50/20/00/484502000.db2.gz PYDRUJXXQKBYMN-UHFFFAOYSA-N -1 0 371.444 -0.034 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)s1 ZINC000618349769 484502226 /nfs/dbraw/zinc/50/22/26/484502226.db2.gz QHGUBWRYSGJTHT-LURJTMIESA-N -1 0 369.450 -0.728 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)s1 ZINC000618349771 484501866 /nfs/dbraw/zinc/50/18/66/484501866.db2.gz QHGUBWRYSGJTHT-ZCFIWIBFSA-N -1 0 369.450 -0.728 20 0 FBADRM COC(=O)CCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000618448039 484502830 /nfs/dbraw/zinc/50/28/30/484502830.db2.gz KCHSQBWSHHKOIL-GXTWGEPZSA-N -1 0 359.400 -0.084 20 0 FBADRM COC(=O)CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000618448041 484502845 /nfs/dbraw/zinc/50/28/45/484502845.db2.gz KCHSQBWSHHKOIL-JSGCOSHPSA-N -1 0 359.400 -0.084 20 0 FBADRM COC(=O)CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000618448042 484502798 /nfs/dbraw/zinc/50/27/98/484502798.db2.gz KCHSQBWSHHKOIL-OCCSQVGLSA-N -1 0 359.400 -0.084 20 0 FBADRM COC(=O)CCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000618448043 483681123 /nfs/dbraw/zinc/68/11/23/483681123.db2.gz KCHSQBWSHHKOIL-TZMCWYRMSA-N -1 0 359.400 -0.084 20 0 FBADRM CCOC(=O)CC[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-] ZINC000618448470 484503372 /nfs/dbraw/zinc/50/33/72/484503372.db2.gz NXHSWJHKCJQHPL-JTQLQIEISA-N -1 0 352.409 -0.272 20 0 FBADRM COC(=O)Cn1cc(CCS(=O)(=O)c2n[nH]c(C(C)(C)C)n2)nn1 ZINC000618559651 484503954 /nfs/dbraw/zinc/50/39/54/484503954.db2.gz UYWFCNLUKZZDSX-UHFFFAOYSA-N -1 0 356.408 -0.117 20 0 FBADRM COC(=O)c1c(F)cccc1S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000618624904 484504170 /nfs/dbraw/zinc/50/41/70/484504170.db2.gz LUZPUPMARSVTHM-UHFFFAOYSA-N -1 0 362.335 -0.519 20 0 FBADRM COC(=O)c1c(C)cccc1S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000618624908 484505160 /nfs/dbraw/zinc/50/51/60/484505160.db2.gz PFCNHKOHQKZTHY-UHFFFAOYSA-N -1 0 358.372 -0.349 20 0 FBADRM COC(=O)Cc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1 ZINC000618624917 484505254 /nfs/dbraw/zinc/50/52/54/484505254.db2.gz VJRWVTUFUWOZTC-UHFFFAOYSA-N -1 0 358.372 -0.729 20 0 FBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000618668298 484504832 /nfs/dbraw/zinc/50/48/32/484504832.db2.gz KLMHCVLNVWYKRH-UHFFFAOYSA-N -1 0 360.374 -0.718 20 0 FBADRM C[C@@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCN1S(C)(=O)=O ZINC000618679762 484506067 /nfs/dbraw/zinc/50/60/67/484506067.db2.gz PTHFGVSEFOLISX-MRVPVSSYSA-N -1 0 367.387 -0.458 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C1 ZINC000618956753 484509534 /nfs/dbraw/zinc/50/95/34/484509534.db2.gz RWKGPIMCVKBDAT-WOPDTQHZSA-N -1 0 364.420 -0.320 20 0 FBADRM CN1CCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CCC1=O ZINC000619050896 484510756 /nfs/dbraw/zinc/51/07/56/484510756.db2.gz RPOWRBFQMISWEL-UHFFFAOYSA-N -1 0 361.370 -0.066 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC(=O)N(C)CC2)c1 ZINC000619060851 484510853 /nfs/dbraw/zinc/51/08/53/484510853.db2.gz DISXCAMQBIPSCK-UHFFFAOYSA-N -1 0 355.416 -0.053 20 0 FBADRM O=C(NC[C@@H]1CCC(=O)N1)c1cccc(C(=O)NC[C@@H]2CCC(=O)N2)c1[O-] ZINC000619138272 484511817 /nfs/dbraw/zinc/51/18/17/484511817.db2.gz ZFPKSPQQFHMLRU-QWRGUYRKSA-N -1 0 374.397 -0.591 20 0 FBADRM CC(C)(C)NS(=O)(=O)CC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000619152398 483605723 /nfs/dbraw/zinc/60/57/23/483605723.db2.gz CUHKSVWHCXZRQD-UHFFFAOYSA-N -1 0 371.466 -0.434 20 0 FBADRM COC(=O)[C@@H]1C[C@H](F)CN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000619505434 484544143 /nfs/dbraw/zinc/54/41/43/484544143.db2.gz PMHAMTUXBRDPPX-RCOVLWMOSA-N -1 0 372.334 -0.290 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2F)n1 ZINC000619507071 484544463 /nfs/dbraw/zinc/54/44/63/484544463.db2.gz YZEZTPKYPSCEND-UHFFFAOYSA-N -1 0 371.350 -0.249 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])cc1OC ZINC000619589034 484571295 /nfs/dbraw/zinc/57/12/95/484571295.db2.gz HRVNBBDFSUPXNI-UHFFFAOYSA-N -1 0 361.372 -0.061 20 0 FBADRM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)nn1 ZINC000619622943 484573529 /nfs/dbraw/zinc/57/35/29/484573529.db2.gz AWONBLFZHBSBJV-UHFFFAOYSA-N -1 0 372.384 -0.289 20 0 FBADRM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)nn1 ZINC000619623138 484573650 /nfs/dbraw/zinc/57/36/50/484573650.db2.gz GDSDAFOIUOEFLJ-UHFFFAOYSA-N -1 0 372.384 -0.138 20 0 FBADRM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)nn1 ZINC000619623223 484573844 /nfs/dbraw/zinc/57/38/44/484573844.db2.gz GWKZPGSCIFYXRL-UHFFFAOYSA-N -1 0 372.384 -0.289 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)OC)nn2)cn1C ZINC000619623567 484573612 /nfs/dbraw/zinc/57/36/12/484573612.db2.gz JLWALFLACVGIAZ-UHFFFAOYSA-N -1 0 353.360 -0.238 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)OC)nn2)cn1 ZINC000619623581 484573877 /nfs/dbraw/zinc/57/38/77/484573877.db2.gz YZYDOHOXMSVVEU-UHFFFAOYSA-N -1 0 355.332 -0.567 20 0 FBADRM COC(=O)c1ccc(=NC(=O)N2CCN(c3nc(N)ns3)CC2)[n-]n1 ZINC000619632814 484498771 /nfs/dbraw/zinc/49/87/71/484498771.db2.gz RMWQXVBHBDFSKZ-UHFFFAOYSA-N -1 0 364.391 -0.527 20 0 FBADRM COC(=O)c1cn(-c2cccc(NC(=O)c3n[nH]c(=O)[n-]c3=O)c2)nn1 ZINC000619728619 484580194 /nfs/dbraw/zinc/58/01/94/484580194.db2.gz PITPMBDNLKAYLV-UHFFFAOYSA-N -1 0 357.286 -0.098 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C1CC(NS(C)(=O)=O)C1 ZINC000619752020 484582661 /nfs/dbraw/zinc/58/26/61/484582661.db2.gz SWFZBXZHHLLZBV-UHFFFAOYSA-N -1 0 369.446 -0.712 20 0 FBADRM CCOC(=O)c1cnc(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)[n-]1 ZINC000619865137 484585719 /nfs/dbraw/zinc/58/57/19/484585719.db2.gz QZHPMJCOZKTFCP-UHFFFAOYSA-N -1 0 372.341 -0.216 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cnn(CCO)c2)c1 ZINC000619956413 484589962 /nfs/dbraw/zinc/58/99/62/484589962.db2.gz BZKRNFATNMEJGV-UHFFFAOYSA-N -1 0 374.444 -0.074 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CCO)c2)cc1 ZINC000619956419 484590790 /nfs/dbraw/zinc/59/07/90/484590790.db2.gz ILJJECCWCNNURI-UHFFFAOYSA-N -1 0 360.417 -0.416 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CCO)c2)cc1 ZINC000619956438 484590673 /nfs/dbraw/zinc/59/06/73/484590673.db2.gz QXEREEOKSKCKFL-UHFFFAOYSA-N -1 0 374.444 -0.074 20 0 FBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000619975841 484591905 /nfs/dbraw/zinc/59/19/05/484591905.db2.gz JMSNVVZTJRYZDB-JTQLQIEISA-N -1 0 370.431 -0.133 20 0 FBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000619975842 484592622 /nfs/dbraw/zinc/59/26/22/484592622.db2.gz JMSNVVZTJRYZDB-SNVBAGLBSA-N -1 0 370.431 -0.133 20 0 FBADRM CCS(=O)(=O)C1(CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000620055037 484594133 /nfs/dbraw/zinc/59/41/33/484594133.db2.gz HFQGADXJMGYDDD-UHFFFAOYSA-N -1 0 362.429 -0.263 20 0 FBADRM CC1(C)NC(=O)N(CC(=O)Nc2nnc([N-]S(C)(=O)=O)s2)C1=O ZINC000620241893 484599612 /nfs/dbraw/zinc/59/96/12/484599612.db2.gz JFJHAYDCMTXACJ-UHFFFAOYSA-N -1 0 362.393 -0.822 20 0 FBADRM CCOc1ccc(N2CCN(C(=O)c3cnc([O-])n(C)c3=O)CC2)nn1 ZINC000620827778 484614700 /nfs/dbraw/zinc/61/47/00/484614700.db2.gz RBOGSGVIMQNDDR-UHFFFAOYSA-N -1 0 360.374 -0.363 20 0 FBADRM COc1ccccc1C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000620833907 484614671 /nfs/dbraw/zinc/61/46/71/484614671.db2.gz XLIUNRWPIIISLN-UHFFFAOYSA-N -1 0 359.342 -0.110 20 0 FBADRM O=C(Cn1cnnn1)N1CCN(C(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000620968976 484619147 /nfs/dbraw/zinc/61/91/47/484619147.db2.gz DMPJJLUDKIIASS-UHFFFAOYSA-N -1 0 352.301 -0.359 20 0 FBADRM NC(=O)C[C@@H](NS(=O)(=O)c1ccnn1CCc1ccccc1)C(=O)[O-] ZINC000621242331 484646867 /nfs/dbraw/zinc/64/68/67/484646867.db2.gz FLFZZFFVWGQZRZ-GFCCVEGCSA-N -1 0 366.399 -0.267 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)c1ccnn1CCc1ccccc1)C(=O)[O-] ZINC000621242332 484646836 /nfs/dbraw/zinc/64/68/36/484646836.db2.gz FLFZZFFVWGQZRZ-LBPRGKRZSA-N -1 0 366.399 -0.267 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccnn1CCc1ccccc1 ZINC000621242411 484647231 /nfs/dbraw/zinc/64/72/31/484647231.db2.gz IHDWJGZXNTXPGY-UHFFFAOYSA-N -1 0 366.399 -0.395 20 0 FBADRM CCN(CC)C(=O)CN1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC000621306661 484656410 /nfs/dbraw/zinc/65/64/10/484656410.db2.gz DFMVYCFKQWDQQM-UHFFFAOYSA-N -1 0 360.418 -0.351 20 0 FBADRM CSc1nc(=NC(=O)c2nc(N)nc(N3CCOCC3)n2)s[n-]1 ZINC000621396339 484513152 /nfs/dbraw/zinc/51/31/52/484513152.db2.gz SHGHDVSTWMNTSD-UHFFFAOYSA-N -1 0 354.421 -0.462 20 0 FBADRM CN(CCCNc1ccc(S(N)(=O)=O)cc1C(=O)[O-])S(C)(=O)=O ZINC000621534289 484670425 /nfs/dbraw/zinc/67/04/25/484670425.db2.gz LREVSJFQFUISBB-UHFFFAOYSA-N -1 0 365.433 -0.274 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1 ZINC000621537887 484670208 /nfs/dbraw/zinc/67/02/08/484670208.db2.gz XRGCQEBADGXHFT-UHFFFAOYSA-N -1 0 371.415 -0.286 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCC(=O)[O-] ZINC000621539240 484670315 /nfs/dbraw/zinc/67/03/15/484670315.db2.gz KSINIUKJWRHBIH-UHFFFAOYSA-N -1 0 359.404 -0.359 20 0 FBADRM Cn1cc(CCC(=O)Nc2cccc(S(=O)(=O)NCC(=O)[O-])c2)nn1 ZINC000621541059 484670432 /nfs/dbraw/zinc/67/04/32/484670432.db2.gz RBUZJUQFZJPBJD-UHFFFAOYSA-N -1 0 367.387 -0.251 20 0 FBADRM O=C([O-])CNS(=O)(=O)c1cccc(NC(=O)C2(n3cnnn3)CC2)c1 ZINC000621541076 484670105 /nfs/dbraw/zinc/67/01/05/484670105.db2.gz RROTVLAUVOBDAJ-UHFFFAOYSA-N -1 0 366.359 -0.836 20 0 FBADRM CCNC(=O)CCC(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC000621541616 484670162 /nfs/dbraw/zinc/67/01/62/484670162.db2.gz JZLYIAPRXCSDEJ-UHFFFAOYSA-N -1 0 357.388 -0.096 20 0 FBADRM CC(=O)NC(C)(C)C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC000621541647 484670596 /nfs/dbraw/zinc/67/05/96/484670596.db2.gz KXDKVFVWUNMQQH-UHFFFAOYSA-N -1 0 357.388 -0.097 20 0 FBADRM CNC(=O)C1(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)[O-])c2)CCC1 ZINC000621541978 484670367 /nfs/dbraw/zinc/67/03/67/484670367.db2.gz VMMXFBNBCHZJQE-UHFFFAOYSA-N -1 0 369.399 -0.096 20 0 FBADRM CCS(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC000621542077 484670340 /nfs/dbraw/zinc/67/03/40/484670340.db2.gz YLVZGDGMUNPRNX-UHFFFAOYSA-N -1 0 364.401 -0.577 20 0 FBADRM CNC(=O)C1(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)[O-])c2)CC1 ZINC000621542314 484670009 /nfs/dbraw/zinc/67/00/09/484670009.db2.gz AKSAPISKNHXOFA-UHFFFAOYSA-N -1 0 355.372 -0.486 20 0 FBADRM O=C([O-])CNS(=O)(=O)c1cccc(NC(=O)CN2CSCC2=O)c1 ZINC000621542790 484670401 /nfs/dbraw/zinc/67/04/01/484670401.db2.gz OGOBSKWOBPNDSW-UHFFFAOYSA-N -1 0 373.412 -0.479 20 0 FBADRM O=C([O-])C1(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 ZINC000621572186 484673002 /nfs/dbraw/zinc/67/30/02/484673002.db2.gz BYMQOYNMZABWKS-UHFFFAOYSA-N -1 0 358.372 -0.105 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCC1(C(=O)[O-])CC1 ZINC000621572403 484673287 /nfs/dbraw/zinc/67/32/87/484673287.db2.gz KQLZOPBMVYCCCI-SECBINFHSA-N -1 0 358.420 -0.315 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC1(C(=O)[O-])CC1 ZINC000621572404 484672932 /nfs/dbraw/zinc/67/29/32/484672932.db2.gz KQLZOPBMVYCCCI-VIFPVBQESA-N -1 0 358.420 -0.315 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC1(C(=O)[O-])CC1 ZINC000621572598 484672786 /nfs/dbraw/zinc/67/27/86/484672786.db2.gz RDGHZBIQCXBPIO-UHFFFAOYSA-N -1 0 371.415 -0.359 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(C)(C)C(=O)[O-] ZINC000621572808 484672807 /nfs/dbraw/zinc/67/28/07/484672807.db2.gz CHXALSANGZLDRU-UHFFFAOYSA-N -1 0 359.404 -0.361 20 0 FBADRM CN(CCCC(=O)[O-])C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000621582831 484674293 /nfs/dbraw/zinc/67/42/93/484674293.db2.gz JLPMEWPJDQTCBG-UHFFFAOYSA-N -1 0 373.431 -0.017 20 0 FBADRM CC(C)N(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000621583769 484673929 /nfs/dbraw/zinc/67/39/29/484673929.db2.gz SPJGFAJSMGISGA-UHFFFAOYSA-N -1 0 373.431 -0.019 20 0 FBADRM CN(CCC(=O)[O-])C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000621588565 484675473 /nfs/dbraw/zinc/67/54/73/484675473.db2.gz MSTVQLMUURKULL-UHFFFAOYSA-N -1 0 359.404 -0.407 20 0 FBADRM C[C@H](CN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C(=O)[O-] ZINC000621589679 484676067 /nfs/dbraw/zinc/67/60/67/484676067.db2.gz UPANKABNBZPBAX-LLVKDONJSA-N -1 0 373.431 -0.161 20 0 FBADRM C[C@@H](CN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C(=O)[O-] ZINC000621589680 484675510 /nfs/dbraw/zinc/67/55/10/484675510.db2.gz UPANKABNBZPBAX-NSHDSACASA-N -1 0 373.431 -0.161 20 0 FBADRM Cn1nc(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)[O-])c2)ccc1=O ZINC000621591353 484675747 /nfs/dbraw/zinc/67/57/47/484675747.db2.gz HTORLIAVMQFTIU-UHFFFAOYSA-N -1 0 366.355 -0.605 20 0 FBADRM O=C([O-])CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C2CC2)c1 ZINC000621591792 484675899 /nfs/dbraw/zinc/67/58/99/484675899.db2.gz TVNDPDNYIGZZOD-UHFFFAOYSA-N -1 0 355.372 -0.486 20 0 FBADRM C[C@H](C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1)S(C)(=O)=O ZINC000621592614 484675593 /nfs/dbraw/zinc/67/55/93/484675593.db2.gz KQRCKHVVJMUMOF-MRVPVSSYSA-N -1 0 364.401 -0.579 20 0 FBADRM C[C@@H](C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1)S(C)(=O)=O ZINC000621592615 484675288 /nfs/dbraw/zinc/67/52/88/484675288.db2.gz KQRCKHVVJMUMOF-QMMMGPOBSA-N -1 0 364.401 -0.579 20 0 FBADRM CCCC(=O)NCC(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC000621593667 484675807 /nfs/dbraw/zinc/67/58/07/484675807.db2.gz PPUQEKZSNGTRQS-UHFFFAOYSA-N -1 0 357.388 -0.096 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)NCC1(CC(=O)[O-])CCOCC1 ZINC000621596151 484675711 /nfs/dbraw/zinc/67/57/11/484675711.db2.gz HFSITNKLOAYUPT-UHFFFAOYSA-N -1 0 366.436 -0.670 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)N2CCSC[C@H](C(=O)[O-])C2)CC1 ZINC000621601756 484675633 /nfs/dbraw/zinc/67/56/33/484675633.db2.gz BRSRJEHPIMHOBR-LLVKDONJSA-N -1 0 350.462 -0.066 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)N2CCSC[C@@H](C(=O)[O-])C2)CC1 ZINC000621601757 484676233 /nfs/dbraw/zinc/67/62/33/484676233.db2.gz BRSRJEHPIMHOBR-NSHDSACASA-N -1 0 350.462 -0.066 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC000621604381 484675259 /nfs/dbraw/zinc/67/52/59/484675259.db2.gz FXVOSKIQZNYPGB-LLVKDONJSA-N -1 0 368.477 -0.393 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC000621604382 484675723 /nfs/dbraw/zinc/67/57/23/484675723.db2.gz FXVOSKIQZNYPGB-NSHDSACASA-N -1 0 368.477 -0.393 20 0 FBADRM CN(CC(=O)N1CCSC[C@H](C(=O)[O-])C1)S(=O)(=O)c1cccnc1 ZINC000621605445 484675422 /nfs/dbraw/zinc/67/54/22/484675422.db2.gz AXMYWLFYDXKIMA-LLVKDONJSA-N -1 0 373.456 -0.022 20 0 FBADRM CN(CC(=O)N1CCSC[C@@H](C(=O)[O-])C1)S(=O)(=O)c1cccnc1 ZINC000621605446 484676082 /nfs/dbraw/zinc/67/60/82/484676082.db2.gz AXMYWLFYDXKIMA-NSHDSACASA-N -1 0 373.456 -0.022 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC000621606506 484676268 /nfs/dbraw/zinc/67/62/68/484676268.db2.gz ZJTFMXHARKZCCN-JTQLQIEISA-N -1 0 354.450 -0.782 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC000621606507 484675563 /nfs/dbraw/zinc/67/55/63/484675563.db2.gz ZJTFMXHARKZCCN-SNVBAGLBSA-N -1 0 354.450 -0.782 20 0 FBADRM O=C([O-])[C@H]1CSCCN(C(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC000621606665 484675772 /nfs/dbraw/zinc/67/57/72/484675772.db2.gz BNJSWRAOYDQLBL-LLVKDONJSA-N -1 0 355.420 -0.155 20 0 FBADRM O=C([O-])[C@@H]1CSCCN(C(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC000621606666 484675497 /nfs/dbraw/zinc/67/54/97/484675497.db2.gz BNJSWRAOYDQLBL-NSHDSACASA-N -1 0 355.420 -0.155 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000621611114 484677120 /nfs/dbraw/zinc/67/71/20/484677120.db2.gz XAYFBKKZNUZRJN-MRVPVSSYSA-N -1 0 365.433 -0.026 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000621611115 484677238 /nfs/dbraw/zinc/67/72/38/484677238.db2.gz XAYFBKKZNUZRJN-QMMMGPOBSA-N -1 0 365.433 -0.026 20 0 FBADRM C[C@@](O)(CNC(=O)c1ccc(Br)cc1-n1cnnn1)C(=O)[O-] ZINC000621706096 484687370 /nfs/dbraw/zinc/68/73/70/484687370.db2.gz IESVPXGHJBFEIA-GFCCVEGCSA-N -1 0 370.163 -0.010 20 0 FBADRM C[C@](O)(CNC(=O)c1ccc(Br)cc1-n1cnnn1)C(=O)[O-] ZINC000621706097 484686563 /nfs/dbraw/zinc/68/65/63/484686563.db2.gz IESVPXGHJBFEIA-LBPRGKRZSA-N -1 0 370.163 -0.010 20 0 FBADRM O=C(CC1(n2cnnn2)CCOCC1)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000621708992 484686794 /nfs/dbraw/zinc/68/67/94/484686794.db2.gz HIXUONYBYVPHBB-AWEZNQCLSA-N -1 0 369.389 -0.012 20 0 FBADRM O=C(CC1(n2cnnn2)CCOCC1)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000621708993 484686644 /nfs/dbraw/zinc/68/66/44/484686644.db2.gz HIXUONYBYVPHBB-CQSZACIVSA-N -1 0 369.389 -0.012 20 0 FBADRM O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1c[n-]n2c1nccc2=O ZINC000621711746 484686592 /nfs/dbraw/zinc/68/65/92/484686592.db2.gz FWRLOMICTLRCLE-INIZCTEOSA-N -1 0 363.443 -0.040 20 0 FBADRM O=C(NC[C@]1(N2CCOCC2)CCSC1)c1c[n-]n2c1nccc2=O ZINC000621711747 484686743 /nfs/dbraw/zinc/68/67/43/484686743.db2.gz FWRLOMICTLRCLE-MRXNPFEDSA-N -1 0 363.443 -0.040 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)n[n-]1 ZINC000621792864 484708430 /nfs/dbraw/zinc/70/84/30/484708430.db2.gz PADICFQQZHMPAP-HNNXBMFYSA-N -1 0 363.399 -0.005 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)n[n-]1 ZINC000621792865 484708834 /nfs/dbraw/zinc/70/88/34/484708834.db2.gz PADICFQQZHMPAP-OAHLLOKOSA-N -1 0 363.399 -0.005 20 0 FBADRM O=C([O-])C1CN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 ZINC000621829056 484719654 /nfs/dbraw/zinc/71/96/54/484719654.db2.gz DYTAYOIXOVJYOY-UHFFFAOYSA-N -1 0 360.370 -0.515 20 0 FBADRM COCCNS(=O)(=O)c1ccc(CNC(=O)N2CC(C(=O)[O-])C2)cc1 ZINC000621829156 484719731 /nfs/dbraw/zinc/71/97/31/484719731.db2.gz JPSOLNHWIRDJPB-UHFFFAOYSA-N -1 0 371.415 -0.163 20 0 FBADRM O=C([O-])C1CN(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000621829910 484719665 /nfs/dbraw/zinc/71/96/65/484719665.db2.gz PYHDYYOCHHXORF-UHFFFAOYSA-N -1 0 361.402 -0.154 20 0 FBADRM O=C([O-])C1CN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000621829976 484719934 /nfs/dbraw/zinc/71/99/34/484719934.db2.gz SRKWGUQMUMKIFZ-UHFFFAOYSA-N -1 0 362.390 -0.759 20 0 FBADRM COCCNS(=O)(=O)c1cccc(CNC(=O)N2CC(C(=O)[O-])C2)c1 ZINC000621830316 484719993 /nfs/dbraw/zinc/71/99/93/484719993.db2.gz CQVWUUZXVVJIFQ-UHFFFAOYSA-N -1 0 371.415 -0.163 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC(C(=O)[O-])C3)CC2)cn1 ZINC000621830719 484719321 /nfs/dbraw/zinc/71/93/21/484719321.db2.gz WJCRSLDCTAAHQK-UHFFFAOYSA-N -1 0 371.419 -0.701 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N1CC(C(=O)[O-])C1 ZINC000621830758 484719073 /nfs/dbraw/zinc/71/90/73/484719073.db2.gz XNMAGDMXOAFDCG-UHFFFAOYSA-N -1 0 371.415 -0.475 20 0 FBADRM O=C([O-])C1CN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)C1 ZINC000621834188 484722542 /nfs/dbraw/zinc/72/25/42/484722542.db2.gz BKNSWXSQBSZOMQ-UHFFFAOYSA-N -1 0 363.342 -0.031 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CC(C(=O)[O-])C3)C2)cc1 ZINC000621834254 484722301 /nfs/dbraw/zinc/72/23/01/484722301.db2.gz DPGNUMWUXHVMJO-UHFFFAOYSA-N -1 0 369.399 -0.206 20 0 FBADRM C[C@H](CNC(=O)C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21)C(=O)[O-] ZINC000621835514 484722042 /nfs/dbraw/zinc/72/20/42/484722042.db2.gz CGTCQABFUFTONP-BXKDBHETSA-N -1 0 354.384 -0.391 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21)C(=O)[O-] ZINC000621835515 484722488 /nfs/dbraw/zinc/72/24/88/484722488.db2.gz CGTCQABFUFTONP-CABZTGNLSA-N -1 0 354.384 -0.391 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21)C(=O)[O-] ZINC000621835516 484722097 /nfs/dbraw/zinc/72/20/97/484722097.db2.gz CGTCQABFUFTONP-JOYOIKCWSA-N -1 0 354.384 -0.391 20 0 FBADRM C[C@H](CNC(=O)C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21)C(=O)[O-] ZINC000621835517 484721973 /nfs/dbraw/zinc/72/19/73/484721973.db2.gz CGTCQABFUFTONP-SKDRFNHKSA-N -1 0 354.384 -0.391 20 0 FBADRM CC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC000621835632 484721994 /nfs/dbraw/zinc/72/19/94/484721994.db2.gz HIJKPYZWEZXXPM-FOUMNBMASA-N -1 0 353.419 -0.025 20 0 FBADRM CC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC000621835633 484722161 /nfs/dbraw/zinc/72/21/61/484722161.db2.gz HIJKPYZWEZXXPM-ZBAXXZLZSA-N -1 0 353.419 -0.025 20 0 FBADRM NC(=O)c1cc(F)ccc1N1CCN(C(=O)C(=O)NCCC(=O)[O-])CC1 ZINC000621835944 484722747 /nfs/dbraw/zinc/72/27/47/484722747.db2.gz RQGIYLCBLVEHPO-UHFFFAOYSA-N -1 0 366.349 -0.836 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621835984 484722204 /nfs/dbraw/zinc/72/22/04/484722204.db2.gz STGAERILUMQMOA-GFCCVEGCSA-N -1 0 354.384 -0.247 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621835985 484721934 /nfs/dbraw/zinc/72/19/34/484721934.db2.gz STGAERILUMQMOA-LBPRGKRZSA-N -1 0 354.384 -0.247 20 0 FBADRM CC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)C1 ZINC000621837056 484723784 /nfs/dbraw/zinc/72/37/84/484723784.db2.gz ZANLINUYAXUZJE-KDOFPFPSSA-N -1 0 361.398 -0.118 20 0 FBADRM CC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)C1 ZINC000621837057 484723851 /nfs/dbraw/zinc/72/38/51/484723851.db2.gz ZANLINUYAXUZJE-RDTXWAMCSA-N -1 0 361.398 -0.118 20 0 FBADRM O=C(NCCS(=O)(=O)NCC1CCC1)c1c[n-]n2c1nccc2=O ZINC000621863306 484728934 /nfs/dbraw/zinc/72/89/34/484728934.db2.gz ROTGLIVBFZRLAW-UHFFFAOYSA-N -1 0 353.404 -0.528 20 0 FBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000621948721 484742497 /nfs/dbraw/zinc/74/24/97/484742497.db2.gz ILEWNOPEKFZHEB-UHFFFAOYSA-N -1 0 365.415 -0.291 20 0 FBADRM COc1cc(N2CCN(C(=O)c3c[n-]n4c3nccc4=O)CC2)ncn1 ZINC000621955093 484746746 /nfs/dbraw/zinc/74/67/46/484746746.db2.gz UJQQUDBTMAAAGE-UHFFFAOYSA-N -1 0 355.358 -0.216 20 0 FBADRM COc1nc(C)cc(C)c1CN(C)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000622046160 484762416 /nfs/dbraw/zinc/76/24/16/484762416.db2.gz LKFVTIHQHYUVSK-CYBMUJFWSA-N -1 0 365.386 -0.023 20 0 FBADRM COc1nc(C)cc(C)c1CN(C)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000622046161 484762784 /nfs/dbraw/zinc/76/27/84/484762784.db2.gz LKFVTIHQHYUVSK-ZDUSSCGKSA-N -1 0 365.386 -0.023 20 0 FBADRM NS(=O)(=O)CCOCCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000622050465 484764530 /nfs/dbraw/zinc/76/45/30/484764530.db2.gz OVJVGJSTVBPGQM-UHFFFAOYSA-N -1 0 356.360 -0.935 20 0 FBADRM CN(Cc1n[n-]c(=O)o1)C(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O ZINC000622115034 484772136 /nfs/dbraw/zinc/77/21/36/484772136.db2.gz GIIMTRZGGSWYKS-UHFFFAOYSA-N -1 0 351.344 -0.341 20 0 FBADRM COCCn1cc(N2C[C@@H](C(=O)N(C)Cc3n[n-]c(=O)o3)CC2=O)cn1 ZINC000622115736 484771166 /nfs/dbraw/zinc/77/11/66/484771166.db2.gz GRHFRZFVZFQFGS-JTQLQIEISA-N -1 0 364.362 -0.370 20 0 FBADRM COCCn1cc(N2C[C@H](C(=O)N(C)Cc3n[n-]c(=O)o3)CC2=O)cn1 ZINC000622115737 484771627 /nfs/dbraw/zinc/77/16/27/484771627.db2.gz GRHFRZFVZFQFGS-SNVBAGLBSA-N -1 0 364.362 -0.370 20 0 FBADRM Cc1c(C(=O)N(C)Cc2n[n-]c(=O)o2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000622116961 484771999 /nfs/dbraw/zinc/77/19/99/484771999.db2.gz MLUBSYNWIHBMBE-UHFFFAOYSA-N -1 0 360.330 -0.699 20 0 FBADRM CCc1c(C(=O)N(C)Cc2n[n-]c(=O)o2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000622117310 484773786 /nfs/dbraw/zinc/77/37/86/484773786.db2.gz ZRSDRCPPJRADDD-UHFFFAOYSA-N -1 0 374.357 -0.445 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N(C)Cc2n[n-]c(=O)o2)cn1C ZINC000622118060 484772783 /nfs/dbraw/zinc/77/27/83/484772783.db2.gz HUTZJSCIYABAMY-UHFFFAOYSA-N -1 0 358.380 -0.856 20 0 FBADRM CN(Cc1n[n-]c(=O)o1)C(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000622118062 484772639 /nfs/dbraw/zinc/77/26/39/484772639.db2.gz HXVNTXBWFBVOBE-UHFFFAOYSA-N -1 0 368.371 -0.258 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)Cc1n[n-]c(=O)o1 ZINC000622118343 484772805 /nfs/dbraw/zinc/77/28/05/484772805.db2.gz SQGFFGLPRFYAEO-ZETCQYMHSA-N -1 0 359.364 -0.295 20 0 FBADRM Cc1cc(C(=O)N(C)Cc2n[n-]c(=O)o2)nc2c1c(=O)n(C)c(=O)n2C ZINC000622118488 484772856 /nfs/dbraw/zinc/77/28/56/484772856.db2.gz YOYBIPDHIZNMOB-UHFFFAOYSA-N -1 0 360.330 -0.699 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)NCC(=O)N(C)Cc2n[n-]c(=O)o2)c1 ZINC000622118594 484773364 /nfs/dbraw/zinc/77/33/64/484773364.db2.gz DDCNAJAHNPHWBO-UHFFFAOYSA-N -1 0 368.371 -0.085 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)Cc2n[n-]c(=O)o2)cc1 ZINC000622119003 484773155 /nfs/dbraw/zinc/77/31/55/484773155.db2.gz RYFXNOOOMZWGER-UHFFFAOYSA-N -1 0 368.371 -0.085 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000622145973 484776182 /nfs/dbraw/zinc/77/61/82/484776182.db2.gz FHMQXUICJWMKBV-GHMZBOCLSA-N -1 0 353.356 -0.428 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000622145974 484776742 /nfs/dbraw/zinc/77/67/42/484776742.db2.gz FHMQXUICJWMKBV-MNOVXSKESA-N -1 0 353.356 -0.428 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000622145975 484776419 /nfs/dbraw/zinc/77/64/19/484776419.db2.gz FHMQXUICJWMKBV-QWRGUYRKSA-N -1 0 353.356 -0.428 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000622145976 484776283 /nfs/dbraw/zinc/77/62/83/484776283.db2.gz FHMQXUICJWMKBV-WDEREUQCSA-N -1 0 353.356 -0.428 20 0 FBADRM CC(C)(CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-])N1CCOCC1 ZINC000622502926 483870938 /nfs/dbraw/zinc/87/09/38/483870938.db2.gz BLYXXCCRCFNJFI-UHFFFAOYSA-N -1 0 357.432 -0.120 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000622503065 484806524 /nfs/dbraw/zinc/80/65/24/484806524.db2.gz OMAOZNUJUMKTST-UHFFFAOYSA-N -1 0 363.399 -0.208 20 0 FBADRM NC(=O)Cc1csc(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])n1 ZINC000622503227 484806359 /nfs/dbraw/zinc/80/63/59/484806359.db2.gz DPFJTYYZOKDGSV-UHFFFAOYSA-N -1 0 356.385 -0.224 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCCNC(=O)c2ccco2)c1 ZINC000622503822 484808128 /nfs/dbraw/zinc/80/81/28/484808128.db2.gz JYJZLQHKHSUJET-UHFFFAOYSA-N -1 0 353.356 -0.208 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCCC(=O)N2CCOCC2)c1 ZINC000622503835 484808538 /nfs/dbraw/zinc/80/85/38/484808538.db2.gz KYRJHWXWAMSLSS-UHFFFAOYSA-N -1 0 357.388 -0.982 20 0 FBADRM CN(CCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-])S(C)(=O)=O ZINC000622504497 484808257 /nfs/dbraw/zinc/80/82/57/484808257.db2.gz FUUVODWJAYVBQN-UHFFFAOYSA-N -1 0 365.433 -0.949 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)nn1 ZINC000622610090 484821103 /nfs/dbraw/zinc/82/11/03/484821103.db2.gz PFSUNNZHVTXMPJ-CYBMUJFWSA-N -1 0 355.362 -0.601 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)nn1 ZINC000622610091 484821233 /nfs/dbraw/zinc/82/12/33/484821233.db2.gz PFSUNNZHVTXMPJ-ZDUSSCGKSA-N -1 0 355.362 -0.601 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)N[C@@H](c1nnn[n-]1)c1ccccc1)c2=O ZINC000622611461 484821623 /nfs/dbraw/zinc/82/16/23/484821623.db2.gz FLVLWJQVARREDL-CYBMUJFWSA-N -1 0 365.357 -0.451 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)N[C@H](c1nnn[n-]1)c1ccccc1)c2=O ZINC000622611462 484821157 /nfs/dbraw/zinc/82/11/57/484821157.db2.gz FLVLWJQVARREDL-ZDUSSCGKSA-N -1 0 365.357 -0.451 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000622691649 483396836 /nfs/dbraw/zinc/39/68/36/483396836.db2.gz VTWKKIUJDDGWJW-UHFFFAOYSA-N -1 0 368.415 -0.782 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000622695342 483450625 /nfs/dbraw/zinc/45/06/25/483450625.db2.gz GFNFYSZZRYRJGJ-LLVKDONJSA-N -1 0 353.404 -0.169 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H](O)Cn1ccnn1 ZINC000622695343 483451384 /nfs/dbraw/zinc/45/13/84/483451384.db2.gz GFNFYSZZRYRJGJ-NSHDSACASA-N -1 0 353.404 -0.169 20 0 FBADRM Cc1cc(=NC(=O)C2(n3cnnn3)CC2)nc2nc(C(F)(F)F)[n-]n21 ZINC000622774340 483670493 /nfs/dbraw/zinc/67/04/93/483670493.db2.gz DAHWDBWKJOTWAF-UHFFFAOYSA-N -1 0 353.268 -0.012 20 0 FBADRM CC(C)c1ncc2c(n1)CCN(C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)C2 ZINC000623242961 484121176 /nfs/dbraw/zinc/12/11/76/484121176.db2.gz OPNYXHWQNQDBIS-CYBMUJFWSA-N -1 0 362.386 -0.203 20 0 FBADRM CC(C)c1ncc2c(n1)CCN(C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)C2 ZINC000623242962 484120732 /nfs/dbraw/zinc/12/07/32/484120732.db2.gz OPNYXHWQNQDBIS-ZDUSSCGKSA-N -1 0 362.386 -0.203 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1 ZINC000623497508 485308522 /nfs/dbraw/zinc/30/85/22/485308522.db2.gz NMUQPSLDXKQRGU-UHFFFAOYSA-N -1 0 369.447 -0.701 20 0 FBADRM CCNC(=O)N1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1 ZINC000623588908 484117574 /nfs/dbraw/zinc/11/75/74/484117574.db2.gz MBMCOOFESFDTCL-UHFFFAOYSA-N -1 0 355.420 -0.060 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cn1 ZINC000623594472 484137135 /nfs/dbraw/zinc/13/71/35/484137135.db2.gz VJOTWRQPUURNIF-UHFFFAOYSA-N -1 0 362.433 -0.830 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1 ZINC000623792779 484830108 /nfs/dbraw/zinc/83/01/08/484830108.db2.gz CDUVTFQVXACCBG-UHFFFAOYSA-N -1 0 369.447 -0.653 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCNS(C)(=O)=O)cn1 ZINC000623796491 484830798 /nfs/dbraw/zinc/83/07/98/484830798.db2.gz AWKNJDXUACWNIS-UHFFFAOYSA-N -1 0 350.422 -0.878 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCCC(=O)N2CCOCC2)cn1 ZINC000623809376 484832031 /nfs/dbraw/zinc/83/20/31/484832031.db2.gz AMLHMDDHGGHAGG-UHFFFAOYSA-N -1 0 356.404 -0.568 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000623995716 484787309 /nfs/dbraw/zinc/78/73/09/484787309.db2.gz HPAJDMMQSKYUEC-UHFFFAOYSA-N -1 0 350.422 -0.878 20 0 FBADRM CN(C)C(=O)N1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1 ZINC000624023731 484848173 /nfs/dbraw/zinc/84/81/73/484848173.db2.gz JCAKCGBLFNUVKB-UHFFFAOYSA-N -1 0 355.420 -0.108 20 0 FBADRM CN(CCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1)S(C)(=O)=O ZINC000624063710 484852628 /nfs/dbraw/zinc/85/26/28/484852628.db2.gz UVGRNAFYXUFPDC-UHFFFAOYSA-N -1 0 364.449 -0.536 20 0 FBADRM COCC(=O)N1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1 ZINC000624246675 484864420 /nfs/dbraw/zinc/86/44/20/484864420.db2.gz YSLSODNGCVGXGF-UHFFFAOYSA-N -1 0 356.404 -0.616 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCC(=O)NCC(F)(F)F)cn1 ZINC000624330763 484869545 /nfs/dbraw/zinc/86/95/45/484869545.db2.gz DRRKJZURXMQUPH-UHFFFAOYSA-N -1 0 354.310 -0.139 20 0 FBADRM COCCCNC(=O)CN(C)C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000624682192 483435030 /nfs/dbraw/zinc/43/50/30/483435030.db2.gz DBGBDTQPAIKBDN-UHFFFAOYSA-N -1 0 358.420 -0.322 20 0 FBADRM COCCNC(=O)CNS(=O)(=O)c1cccnc1OCC(F)F ZINC000624808240 483441178 /nfs/dbraw/zinc/44/11/78/483441178.db2.gz IURIULHSYKRMKF-UHFFFAOYSA-N -1 0 353.347 -0.234 20 0 FBADRM O=C(CCNS(=O)(=O)c1cnnn1-c1ccccc1)N1CCOCC1 ZINC000624826367 483441685 /nfs/dbraw/zinc/44/16/85/483441685.db2.gz MUYUQHOWJWCENI-UHFFFAOYSA-N -1 0 365.415 -0.206 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000624877326 483443928 /nfs/dbraw/zinc/44/39/28/483443928.db2.gz HOMACTGMEMIAGZ-UHFFFAOYSA-N -1 0 364.449 -0.489 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCCN2CCCS2(=O)=O)cn1 ZINC000624911920 483446053 /nfs/dbraw/zinc/44/60/53/483446053.db2.gz BNMXYXODFLPYGL-UHFFFAOYSA-N -1 0 362.433 -0.782 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)cn1 ZINC000624947565 483447060 /nfs/dbraw/zinc/44/70/60/483447060.db2.gz STGNVCKMRNNZIE-JTQLQIEISA-N -1 0 352.372 -0.527 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)cn1 ZINC000624947584 483446889 /nfs/dbraw/zinc/44/68/89/483446889.db2.gz STGNVCKMRNNZIE-SNVBAGLBSA-N -1 0 352.372 -0.527 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000624947897 483446426 /nfs/dbraw/zinc/44/64/26/483446426.db2.gz OEDHBCKZPOOBNP-UHFFFAOYSA-N -1 0 364.449 -0.488 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)n1 ZINC000625072631 484067392 /nfs/dbraw/zinc/06/73/92/484067392.db2.gz JULUAAJLYMXQHI-UHFFFAOYSA-N -1 0 366.403 -0.010 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]c3cnn(CCO)c3)cc2n(C)c1=O ZINC000625080533 483454256 /nfs/dbraw/zinc/45/42/56/483454256.db2.gz CHFVAFVEUHHUGF-UHFFFAOYSA-N -1 0 351.388 -0.133 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cnn(CCO)c2)c1 ZINC000625080578 483454022 /nfs/dbraw/zinc/45/40/22/483454022.db2.gz DHOKZVFFLACKPF-UHFFFAOYSA-N -1 0 360.417 -0.416 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)cn1 ZINC000625147082 483474167 /nfs/dbraw/zinc/47/41/67/483474167.db2.gz OJCVWZGFWKVDAE-UHFFFAOYSA-N -1 0 366.403 -0.010 20 0 FBADRM CCOCCOC[C@@H](O)CNS(=O)(=O)c1cnnn1-c1ccccc1 ZINC000625154370 483475597 /nfs/dbraw/zinc/47/55/97/483475597.db2.gz RIILRRVJXAUESB-AWEZNQCLSA-N -1 0 370.431 -0.040 20 0 FBADRM CCOCCOC[C@H](O)CNS(=O)(=O)c1cnnn1-c1ccccc1 ZINC000625154371 483474896 /nfs/dbraw/zinc/47/48/96/483474896.db2.gz RIILRRVJXAUESB-CQSZACIVSA-N -1 0 370.431 -0.040 20 0 FBADRM O=c1nc(CCNS(=O)(=O)c2cccnc2OCC(F)F)[n-]o1 ZINC000625162698 483476136 /nfs/dbraw/zinc/47/61/36/483476136.db2.gz ZJSHXLCSVQUKEV-UHFFFAOYSA-N -1 0 350.303 -0.077 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCN2C(=O)CCC2=O)cn1 ZINC000625317026 483555716 /nfs/dbraw/zinc/55/57/16/483555716.db2.gz DBZYNSLHZCEHBO-UHFFFAOYSA-N -1 0 354.388 -0.278 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@@H]2Cc3ccccc3CO2)c(=O)n(C)c1=O ZINC000625334691 483562369 /nfs/dbraw/zinc/56/23/69/483562369.db2.gz YGKLGRBQPZPFPD-ZDUSSCGKSA-N -1 0 365.411 -0.496 20 0 FBADRM CC(C)(CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1)NS(C)(=O)=O ZINC000625439874 483693635 /nfs/dbraw/zinc/69/36/35/483693635.db2.gz KRECWWXBWXDRKI-UHFFFAOYSA-N -1 0 364.449 -0.489 20 0 FBADRM CC(=O)NCC(=O)N1CCCN(S(=O)(=O)c2ccccc2[O-])CC1 ZINC000625507336 483714816 /nfs/dbraw/zinc/71/48/16/483714816.db2.gz XJHHWWQDEXBEED-UHFFFAOYSA-N -1 0 355.416 -0.249 20 0 FBADRM CN1CCOC[C@H]1CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000625517057 483717449 /nfs/dbraw/zinc/71/74/49/483717449.db2.gz JAPPDPWHJXWBAE-MRVPVSSYSA-N -1 0 355.376 -0.955 20 0 FBADRM CN1CCOC[C@@H]1CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000625517060 483717554 /nfs/dbraw/zinc/71/75/54/483717554.db2.gz JAPPDPWHJXWBAE-QMMMGPOBSA-N -1 0 355.376 -0.955 20 0 FBADRM C[C@@H]1[C@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCS1(=O)=O ZINC000625521418 483718748 /nfs/dbraw/zinc/71/87/48/483718748.db2.gz XLYNUZQITIUVAV-HZGVNTEJSA-N -1 0 374.400 -0.710 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1 ZINC000625547993 660481654 /nfs/dbraw/zinc/48/16/54/660481654.db2.gz XCHPCBLLKCCJMG-UHFFFAOYSA-N -1 0 369.447 -0.653 20 0 FBADRM COCCN(CC(=O)N(C)C)C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000625558873 483732267 /nfs/dbraw/zinc/73/22/67/483732267.db2.gz RTFVZRRDRATVCM-UHFFFAOYSA-N -1 0 358.420 -0.370 20 0 FBADRM CN([C@H]1C[C@@H](C(N)=O)C1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000625588007 660484216 /nfs/dbraw/zinc/48/42/16/660484216.db2.gz KNQVKDGPQGUHAF-KNVOCYPGSA-N -1 0 353.360 -0.680 20 0 FBADRM CN(C)S(=O)(=O)N1CC([N-]S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000625624471 483737336 /nfs/dbraw/zinc/73/73/36/483737336.db2.gz MMRFDPKWIWMMDG-UHFFFAOYSA-N -1 0 373.378 -0.127 20 0 FBADRM CN(C)S(=O)(=O)N1CC([N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000625624497 483737559 /nfs/dbraw/zinc/73/75/59/483737559.db2.gz MXTMVQSQZUVFSW-UHFFFAOYSA-N -1 0 355.388 -0.266 20 0 FBADRM CS(=O)(=O)NC[C@H]1COCCN1S(=O)(=O)c1ccccc1[O-] ZINC000625629388 660487248 /nfs/dbraw/zinc/48/72/48/660487248.db2.gz ZORTVAAETPMANU-JTQLQIEISA-N -1 0 350.418 -0.669 20 0 FBADRM CS(=O)(=O)NC[C@@H]1COCCN1S(=O)(=O)c1ccccc1[O-] ZINC000625629389 660487287 /nfs/dbraw/zinc/48/72/87/660487287.db2.gz ZORTVAAETPMANU-SNVBAGLBSA-N -1 0 350.418 -0.669 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CC[C@@H]4CC[C@@H](O)[C@@H]43)cc-2c(=O)[n-]1 ZINC000625657727 660488838 /nfs/dbraw/zinc/48/88/38/660488838.db2.gz QBFYSYFJZPNGQQ-WHGOUJPWSA-N -1 0 352.372 -0.030 20 0 FBADRM CN(CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)CC(F)F ZINC000625675124 660489389 /nfs/dbraw/zinc/48/93/89/660489389.db2.gz XNTRMTATIIYEKG-UHFFFAOYSA-N -1 0 363.346 -0.089 20 0 FBADRM COC[C@]1(C)CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCO1 ZINC000625691902 660490378 /nfs/dbraw/zinc/49/03/78/660490378.db2.gz SCWBSPJEHCMUAC-AWEZNQCLSA-N -1 0 370.387 -0.138 20 0 FBADRM COC[C@@]1(C)CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCO1 ZINC000625691905 660490398 /nfs/dbraw/zinc/49/03/98/660490398.db2.gz SCWBSPJEHCMUAC-CQSZACIVSA-N -1 0 370.387 -0.138 20 0 FBADRM COCCOCCN(CCO)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000625755008 483743816 /nfs/dbraw/zinc/74/38/16/483743816.db2.gz RLWORLLSAJOGEO-UHFFFAOYSA-N -1 0 357.432 -0.034 20 0 FBADRM CC(C)(C(N)=O)N1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1 ZINC000625908638 483859986 /nfs/dbraw/zinc/85/99/86/483859986.db2.gz NFUGDCMCDRDPMD-UHFFFAOYSA-N -1 0 369.447 -0.525 20 0 FBADRM COCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000625949219 483862016 /nfs/dbraw/zinc/86/20/16/483862016.db2.gz VFIHZVBBPZGATN-SECBINFHSA-N -1 0 373.387 -0.861 20 0 FBADRM COCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000625949220 483861950 /nfs/dbraw/zinc/86/19/50/483861950.db2.gz VFIHZVBBPZGATN-VIFPVBQESA-N -1 0 373.387 -0.861 20 0 FBADRM CNC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000625949731 483861675 /nfs/dbraw/zinc/86/16/75/483861675.db2.gz YUGOVOAJOCUQSO-GFCCVEGCSA-N -1 0 365.342 -0.695 20 0 FBADRM CNC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c(OC)c1 ZINC000625949732 483861863 /nfs/dbraw/zinc/86/18/63/483861863.db2.gz YUGOVOAJOCUQSO-LBPRGKRZSA-N -1 0 365.342 -0.695 20 0 FBADRM CCn1nc(C)cc1NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000625949768 483861608 /nfs/dbraw/zinc/86/16/08/483861608.db2.gz BBEGLOUTJVVCBW-JTQLQIEISA-N -1 0 353.379 -0.412 20 0 FBADRM CCn1nc(C)cc1NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000625949769 483861563 /nfs/dbraw/zinc/86/15/63/483861563.db2.gz BBEGLOUTJVVCBW-SNVBAGLBSA-N -1 0 353.379 -0.412 20 0 FBADRM CC(=O)NCCN(C(=O)C(=O)Nc1cnn(CCF)c1)[C@H](C)C(=O)[O-] ZINC000625949987 483862036 /nfs/dbraw/zinc/86/20/36/483862036.db2.gz PSDMDRYTRNIXFC-SECBINFHSA-N -1 0 357.342 -0.771 20 0 FBADRM CC(=O)NCCN(C(=O)C(=O)Nc1cnn(CCF)c1)[C@@H](C)C(=O)[O-] ZINC000625949988 483861718 /nfs/dbraw/zinc/86/17/18/483861718.db2.gz PSDMDRYTRNIXFC-VIFPVBQESA-N -1 0 357.342 -0.771 20 0 FBADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc2c1OCC2)[C@@H](C)C(=O)[O-] ZINC000625950031 483862059 /nfs/dbraw/zinc/86/20/59/483862059.db2.gz SHIAYBJTLWLJKZ-JTQLQIEISA-N -1 0 363.370 -0.002 20 0 FBADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc2c1OCC2)[C@H](C)C(=O)[O-] ZINC000625950032 483862084 /nfs/dbraw/zinc/86/20/84/483862084.db2.gz SHIAYBJTLWLJKZ-SNVBAGLBSA-N -1 0 363.370 -0.002 20 0 FBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000625951905 483863573 /nfs/dbraw/zinc/86/35/73/483863573.db2.gz JHKPJTXKPHMFTJ-UHFFFAOYSA-N -1 0 357.330 -0.748 20 0 FBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000625952138 483863539 /nfs/dbraw/zinc/86/35/39/483863539.db2.gz QKSKSACKHLRVSW-UHFFFAOYSA-N -1 0 370.369 -0.214 20 0 FBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)N2CCN(c3nccnn3)CC2)c1 ZINC000625952183 483863512 /nfs/dbraw/zinc/86/35/12/483863512.db2.gz RZDUWPUUYHILJB-UHFFFAOYSA-N -1 0 370.369 -0.214 20 0 FBADRM O=C([O-])c1cccc(NC(=O)C(=O)N2CCN(c3nccnn3)CC2)c1 ZINC000625952237 483863645 /nfs/dbraw/zinc/86/36/45/483863645.db2.gz SZKRCUDKESWFNL-UHFFFAOYSA-N -1 0 356.342 -0.143 20 0 FBADRM O=C([O-])c1ccccc1NC(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000625952266 483863677 /nfs/dbraw/zinc/86/36/77/483863677.db2.gz UWYDKCMPDRPBIW-UHFFFAOYSA-N -1 0 356.342 -0.143 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2CCN(c3nccnn3)CC2)c(F)c1 ZINC000625952336 483863611 /nfs/dbraw/zinc/86/36/11/483863611.db2.gz WEDSSVSROLXUGS-UHFFFAOYSA-N -1 0 374.332 -0.004 20 0 FBADRM CNC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CCO1 ZINC000625952810 483863613 /nfs/dbraw/zinc/86/36/13/483863613.db2.gz RAIIFXQLMZFGOZ-GFCCVEGCSA-N -1 0 364.358 -0.520 20 0 FBADRM CNC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CCO1 ZINC000625952811 483863600 /nfs/dbraw/zinc/86/36/00/483863600.db2.gz RAIIFXQLMZFGOZ-LBPRGKRZSA-N -1 0 364.358 -0.520 20 0 FBADRM CNC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CCO1 ZINC000625952882 483863663 /nfs/dbraw/zinc/86/36/63/483863663.db2.gz USYMBYLBPWKOQU-JTQLQIEISA-N -1 0 364.358 -0.520 20 0 FBADRM CNC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CCO1 ZINC000625952883 483863666 /nfs/dbraw/zinc/86/36/66/483863666.db2.gz USYMBYLBPWKOQU-SNVBAGLBSA-N -1 0 364.358 -0.520 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccnc(OCCO)c2)CC[C@H]1C(=O)[O-] ZINC000625953392 483863624 /nfs/dbraw/zinc/86/36/24/483863624.db2.gz CUBYAQCYPJZYFY-CMPLNLGQSA-N -1 0 351.359 -0.040 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccnc(OCCO)c2)CC[C@@H]1C(=O)[O-] ZINC000625953393 483863558 /nfs/dbraw/zinc/86/35/58/483863558.db2.gz CUBYAQCYPJZYFY-JQWIXIFHSA-N -1 0 351.359 -0.040 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(OCCO)c2)CC[C@@H]1C(=O)[O-] ZINC000625953394 483863561 /nfs/dbraw/zinc/86/35/61/483863561.db2.gz CUBYAQCYPJZYFY-PWSUYJOCSA-N -1 0 351.359 -0.040 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(OCCO)c2)CC[C@H]1C(=O)[O-] ZINC000625953395 483863546 /nfs/dbraw/zinc/86/35/46/483863546.db2.gz CUBYAQCYPJZYFY-ZYHUDNBSSA-N -1 0 351.359 -0.040 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[C@H]1C(=O)[O-] ZINC000625954563 483863576 /nfs/dbraw/zinc/86/35/76/483863576.db2.gz KDMXCEOKFKDZDK-BXKDBHETSA-N -1 0 369.399 -0.158 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1C(=O)[O-] ZINC000625954564 483863606 /nfs/dbraw/zinc/86/36/06/483863606.db2.gz KDMXCEOKFKDZDK-CABZTGNLSA-N -1 0 369.399 -0.158 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[C@H]1C(=O)[O-] ZINC000625954565 483863563 /nfs/dbraw/zinc/86/35/63/483863563.db2.gz KDMXCEOKFKDZDK-JOYOIKCWSA-N -1 0 369.399 -0.158 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1C(=O)[O-] ZINC000625954566 483863408 /nfs/dbraw/zinc/86/34/08/483863408.db2.gz KDMXCEOKFKDZDK-SKDRFNHKSA-N -1 0 369.399 -0.158 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1C(N)=O ZINC000625955870 483863630 /nfs/dbraw/zinc/86/36/30/483863630.db2.gz IGIDBBBCWZUIBZ-PSASIEDQSA-N -1 0 364.358 -0.303 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1C(N)=O ZINC000625955871 483863564 /nfs/dbraw/zinc/86/35/64/483863564.db2.gz IGIDBBBCWZUIBZ-SCZZXKLOSA-N -1 0 364.358 -0.303 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1C(N)=O ZINC000625955872 483863476 /nfs/dbraw/zinc/86/34/76/483863476.db2.gz IGIDBBBCWZUIBZ-WCBMZHEXSA-N -1 0 364.358 -0.303 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1C(N)=O ZINC000625955873 483863673 /nfs/dbraw/zinc/86/36/73/483863673.db2.gz IGIDBBBCWZUIBZ-WPRPVWTQSA-N -1 0 364.358 -0.303 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@H]1C(=O)[O-] ZINC000625956710 483863583 /nfs/dbraw/zinc/86/35/83/483863583.db2.gz WWPLJFXUSYSHAP-BXKDBHETSA-N -1 0 369.399 -0.158 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@@H]1C(=O)[O-] ZINC000625956711 483863403 /nfs/dbraw/zinc/86/34/03/483863403.db2.gz WWPLJFXUSYSHAP-CABZTGNLSA-N -1 0 369.399 -0.158 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@H]1C(=O)[O-] ZINC000625956712 483863615 /nfs/dbraw/zinc/86/36/15/483863615.db2.gz WWPLJFXUSYSHAP-JOYOIKCWSA-N -1 0 369.399 -0.158 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@@H]1C(=O)[O-] ZINC000625956713 483863574 /nfs/dbraw/zinc/86/35/74/483863574.db2.gz WWPLJFXUSYSHAP-SKDRFNHKSA-N -1 0 369.399 -0.158 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC[C@H]1C(=O)[O-] ZINC000625958164 483864023 /nfs/dbraw/zinc/86/40/23/483864023.db2.gz VAXYFMPWKUDYBR-GXSJLCMTSA-N -1 0 369.399 -0.007 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC[C@@H]1C(=O)[O-] ZINC000625958165 483863873 /nfs/dbraw/zinc/86/38/73/483863873.db2.gz VAXYFMPWKUDYBR-KOLCDFICSA-N -1 0 369.399 -0.007 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC[C@H]1C(=O)[O-] ZINC000625958166 483863879 /nfs/dbraw/zinc/86/38/79/483863879.db2.gz VAXYFMPWKUDYBR-MWLCHTKSSA-N -1 0 369.399 -0.007 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC[C@@H]1C(=O)[O-] ZINC000625958167 483864062 /nfs/dbraw/zinc/86/40/62/483864062.db2.gz VAXYFMPWKUDYBR-ONGXEEELSA-N -1 0 369.399 -0.007 20 0 FBADRM CN(C)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000625958765 484082033 /nfs/dbraw/zinc/08/20/33/484082033.db2.gz KZGCKEYPPNYHCW-JTQLQIEISA-N -1 0 365.390 -0.280 20 0 FBADRM CCOC[C@H]1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CCO1 ZINC000625958767 484421881 /nfs/dbraw/zinc/42/18/81/484421881.db2.gz LCBYRDITNBYMSX-LLVKDONJSA-N -1 0 368.390 -0.095 20 0 FBADRM CCOC[C@@H]1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CCO1 ZINC000625958768 484421284 /nfs/dbraw/zinc/42/12/84/484421284.db2.gz LCBYRDITNBYMSX-NSHDSACASA-N -1 0 368.390 -0.095 20 0 FBADRM NC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CCO1 ZINC000625959557 483863947 /nfs/dbraw/zinc/86/39/47/483863947.db2.gz BBWDILZVNVUTIV-SECBINFHSA-N -1 0 353.306 -0.435 20 0 FBADRM NC(=O)C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CCO1 ZINC000625959558 483864015 /nfs/dbraw/zinc/86/40/15/483864015.db2.gz BBWDILZVNVUTIV-VIFPVBQESA-N -1 0 353.306 -0.435 20 0 FBADRM NC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CCC(=O)[O-])c2)CCO1 ZINC000625959722 483864017 /nfs/dbraw/zinc/86/40/17/483864017.db2.gz QGIHNSJSMDNMGE-CYBMUJFWSA-N -1 0 363.370 -0.255 20 0 FBADRM NC(=O)C[C@H]1CN(C(=O)C(=O)Nc2cccc(CCC(=O)[O-])c2)CCO1 ZINC000625959723 483863823 /nfs/dbraw/zinc/86/38/23/483863823.db2.gz QGIHNSJSMDNMGE-ZDUSSCGKSA-N -1 0 363.370 -0.255 20 0 FBADRM CN(C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000625959746 483776679 /nfs/dbraw/zinc/77/66/79/483776679.db2.gz RLRSJJAXKUPVTR-KYZUINATSA-N -1 0 351.363 -0.636 20 0 FBADRM CC(C)N1C(=O)C[C@H](NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1=O ZINC000625984579 483865849 /nfs/dbraw/zinc/86/58/49/483865849.db2.gz BWXSVWITJPXQCD-JTQLQIEISA-N -1 0 354.388 -0.281 20 0 FBADRM CC(C)N1C(=O)C[C@@H](NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1=O ZINC000625984580 483865719 /nfs/dbraw/zinc/86/57/19/483865719.db2.gz BWXSVWITJPXQCD-SNVBAGLBSA-N -1 0 354.388 -0.281 20 0 FBADRM CN(C)C(=O)COC1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1 ZINC000625990417 483866748 /nfs/dbraw/zinc/86/67/48/483866748.db2.gz IGLJVVNNXAGULC-UHFFFAOYSA-N -1 0 356.404 -0.618 20 0 FBADRM CC[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(=O)N1CCOCC1 ZINC000626031083 483868189 /nfs/dbraw/zinc/86/81/89/483868189.db2.gz RAVGHCIKBMPOAG-GFCCVEGCSA-N -1 0 370.431 -0.180 20 0 FBADRM CC[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(=O)N1CCOCC1 ZINC000626031084 483868165 /nfs/dbraw/zinc/86/81/65/483868165.db2.gz RAVGHCIKBMPOAG-LBPRGKRZSA-N -1 0 370.431 -0.180 20 0 FBADRM NS(=O)(=O)NC1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CC1 ZINC000626035462 483869393 /nfs/dbraw/zinc/86/93/93/483869393.db2.gz POUZLZJLYSGAIC-UHFFFAOYSA-N -1 0 373.460 -0.734 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN([C@@H]3CCOC3)CC2)cn1 ZINC000626082431 483873569 /nfs/dbraw/zinc/87/35/69/483873569.db2.gz XTWIJAKPTMPNSH-CYBMUJFWSA-N -1 0 354.432 0.000 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN([C@H]3CCOC3)CC2)cn1 ZINC000626082432 483873536 /nfs/dbraw/zinc/87/35/36/483873536.db2.gz XTWIJAKPTMPNSH-ZDUSSCGKSA-N -1 0 354.432 0.000 20 0 FBADRM CCNC(=O)N1CC[C@@H](NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1 ZINC000626107331 483912908 /nfs/dbraw/zinc/91/29/08/483912908.db2.gz HFGGMKCGBXCVLO-LLVKDONJSA-N -1 0 355.420 -0.013 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1 ZINC000626107332 483912755 /nfs/dbraw/zinc/91/27/55/483912755.db2.gz HFGGMKCGBXCVLO-NSHDSACASA-N -1 0 355.420 -0.013 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N(CCO)CCN2CCOCC2)cn1 ZINC000626208010 483462380 /nfs/dbraw/zinc/46/23/80/483462380.db2.gz PBWWVTRIBJMEJK-UHFFFAOYSA-N -1 0 372.447 -0.780 20 0 FBADRM CC[C@H](CO)N1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1 ZINC000626209034 483462288 /nfs/dbraw/zinc/46/22/88/483462288.db2.gz AWWIAUMLFGTGLM-CYBMUJFWSA-N -1 0 356.448 -0.018 20 0 FBADRM CC[C@@H](CO)N1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1 ZINC000626209035 483462601 /nfs/dbraw/zinc/46/26/01/483462601.db2.gz AWWIAUMLFGTGLM-ZDUSSCGKSA-N -1 0 356.448 -0.018 20 0 FBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000626237746 483826519 /nfs/dbraw/zinc/82/65/19/483826519.db2.gz FWXCHENJESTPLX-LLVKDONJSA-N -1 0 365.438 -0.285 20 0 FBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000626237747 483826358 /nfs/dbraw/zinc/82/63/58/483826358.db2.gz FWXCHENJESTPLX-NSHDSACASA-N -1 0 365.438 -0.285 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCN2CCNC(=O)C2)cn1 ZINC000626250242 483838835 /nfs/dbraw/zinc/83/88/35/483838835.db2.gz DKILGOWHPGZVRQ-UHFFFAOYSA-N -1 0 355.420 -0.995 20 0 FBADRM CC(C)(CO)N1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1 ZINC000626280891 484132363 /nfs/dbraw/zinc/13/23/63/484132363.db2.gz VTLCNFAVZKMOQV-UHFFFAOYSA-N -1 0 356.448 -0.018 20 0 FBADRM C[C@H](O)C(=O)N1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1 ZINC000626315928 484248447 /nfs/dbraw/zinc/24/84/47/484248447.db2.gz IVZCJTPUTCLUMT-JTQLQIEISA-N -1 0 356.404 -0.882 20 0 FBADRM C[C@@H](O)C(=O)N1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1 ZINC000626315929 484248272 /nfs/dbraw/zinc/24/82/72/484248272.db2.gz IVZCJTPUTCLUMT-SNVBAGLBSA-N -1 0 356.404 -0.882 20 0 FBADRM COCCN1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1=O ZINC000626333032 484251696 /nfs/dbraw/zinc/25/16/96/484251696.db2.gz UTEONFMGXGEHFP-UHFFFAOYSA-N -1 0 356.404 -0.616 20 0 FBADRM CN(C)S(=O)(=O)N1CC(NC(=O)N=c2nc(C(C)(C)C)[n-]s2)C1 ZINC000626359964 484256233 /nfs/dbraw/zinc/25/62/33/484256233.db2.gz BEVFERBNBVXZNR-UHFFFAOYSA-N -1 0 362.481 -0.130 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2ccc([N-]S(C)(=O)=O)nc2)O1 ZINC000626361433 484256380 /nfs/dbraw/zinc/25/63/80/484256380.db2.gz HAYPSBLFKGGWCY-NEPJUHHUSA-N -1 0 370.431 -0.181 20 0 FBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2ccc([N-]S(C)(=O)=O)nc2)O1 ZINC000626361434 484256025 /nfs/dbraw/zinc/25/60/25/484256025.db2.gz HAYPSBLFKGGWCY-NWDGAFQWSA-N -1 0 370.431 -0.181 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2ccc([N-]S(C)(=O)=O)nc2)O1 ZINC000626361435 484255745 /nfs/dbraw/zinc/25/57/45/484255745.db2.gz HAYPSBLFKGGWCY-RYUDHWBXSA-N -1 0 370.431 -0.181 20 0 FBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2ccc([N-]S(C)(=O)=O)nc2)O1 ZINC000626361436 484256443 /nfs/dbraw/zinc/25/64/43/484256443.db2.gz HAYPSBLFKGGWCY-VXGBXAGGSA-N -1 0 370.431 -0.181 20 0 FBADRM CSc1nc(=NC(=O)NC2CN(S(=O)(=O)N(C)C)C2)s[n-]1 ZINC000626428038 484092730 /nfs/dbraw/zinc/09/27/30/484092730.db2.gz QLJWZXPWPINJTP-UHFFFAOYSA-N -1 0 352.467 -0.706 20 0 FBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000626443541 484549520 /nfs/dbraw/zinc/54/95/20/484549520.db2.gz JVWFPVLPXFHHCD-SECBINFHSA-N -1 0 353.427 -0.429 20 0 FBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000626443542 484549110 /nfs/dbraw/zinc/54/91/10/484549110.db2.gz JVWFPVLPXFHHCD-VIFPVBQESA-N -1 0 353.427 -0.429 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2nnnn2CC2CC2)cn1 ZINC000626489970 484139265 /nfs/dbraw/zinc/13/92/65/484139265.db2.gz HPQMHTUVLWIIOD-UHFFFAOYSA-N -1 0 351.392 -0.220 20 0 FBADRM C[C@H](O)CN1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)[C@H](C)C1 ZINC000626517209 484270680 /nfs/dbraw/zinc/27/06/80/484270680.db2.gz BQTOOUXQPRVKOJ-NEPJUHHUSA-N -1 0 356.448 -0.020 20 0 FBADRM C[C@@H](O)CN1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)[C@@H](C)C1 ZINC000626517210 484270839 /nfs/dbraw/zinc/27/08/39/484270839.db2.gz BQTOOUXQPRVKOJ-NWDGAFQWSA-N -1 0 356.448 -0.020 20 0 FBADRM C[C@H](O)CN1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)[C@@H](C)C1 ZINC000626517211 484270784 /nfs/dbraw/zinc/27/07/84/484270784.db2.gz BQTOOUXQPRVKOJ-RYUDHWBXSA-N -1 0 356.448 -0.020 20 0 FBADRM C[C@@H](O)CN1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)[C@H](C)C1 ZINC000626517212 484270906 /nfs/dbraw/zinc/27/09/06/484270906.db2.gz BQTOOUXQPRVKOJ-VXGBXAGGSA-N -1 0 356.448 -0.020 20 0 FBADRM CO[C@H](C)c1nc(=NC(=O)NC2CN(S(=O)(=O)N(C)C)C2)s[n-]1 ZINC000626567521 484756635 /nfs/dbraw/zinc/75/66/35/484756635.db2.gz SPAYWAZAXDFWBJ-SSDOTTSWSA-N -1 0 364.453 -0.721 20 0 FBADRM CO[C@@H](C)c1nc(=NC(=O)NC2CN(S(=O)(=O)N(C)C)C2)s[n-]1 ZINC000626567522 484756530 /nfs/dbraw/zinc/75/65/30/484756530.db2.gz SPAYWAZAXDFWBJ-ZETCQYMHSA-N -1 0 364.453 -0.721 20 0 FBADRM CC1(C)CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCN1CCO ZINC000626587303 484854322 /nfs/dbraw/zinc/85/43/22/484854322.db2.gz KQTGBRJCDLXDPT-UHFFFAOYSA-N -1 0 356.448 -0.018 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)C1 ZINC000626627925 661747982 /nfs/dbraw/zinc/74/79/82/661747982.db2.gz JTYVAPBEMUVVIB-JTQLQIEISA-N -1 0 366.403 -0.022 20 0 FBADRM COCCN1CCCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1=O ZINC000626628148 484880375 /nfs/dbraw/zinc/88/03/75/484880375.db2.gz WWQKAINAGCGTBH-UHFFFAOYSA-N -1 0 370.431 -0.226 20 0 FBADRM CCOCCOC[C@H](O)CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000626644574 484885280 /nfs/dbraw/zinc/88/52/80/484885280.db2.gz CEHHRNWKBOYODU-GFCCVEGCSA-N -1 0 361.420 -0.403 20 0 FBADRM CCOCCOC[C@@H](O)CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000626644575 484886150 /nfs/dbraw/zinc/88/61/50/484886150.db2.gz CEHHRNWKBOYODU-LBPRGKRZSA-N -1 0 361.420 -0.403 20 0 FBADRM C[C@H]1CN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC[C@H]1C(=O)[O-] ZINC000626756394 485113829 /nfs/dbraw/zinc/11/38/29/485113829.db2.gz RAEWWYREJWMEDL-CMPLNLGQSA-N -1 0 374.419 -0.154 20 0 FBADRM C[C@H]1CN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC[C@@H]1C(=O)[O-] ZINC000626756400 485113837 /nfs/dbraw/zinc/11/38/37/485113837.db2.gz RAEWWYREJWMEDL-JQWIXIFHSA-N -1 0 374.419 -0.154 20 0 FBADRM C[C@@H]1CN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC[C@@H]1C(=O)[O-] ZINC000626756402 485114197 /nfs/dbraw/zinc/11/41/97/485114197.db2.gz RAEWWYREJWMEDL-PWSUYJOCSA-N -1 0 374.419 -0.154 20 0 FBADRM C[C@@H]1CN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC[C@H]1C(=O)[O-] ZINC000626756403 485114080 /nfs/dbraw/zinc/11/40/80/485114080.db2.gz RAEWWYREJWMEDL-ZYHUDNBSSA-N -1 0 374.419 -0.154 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC000626756893 485118560 /nfs/dbraw/zinc/11/85/60/485118560.db2.gz PSYWTCRHVXVEHR-GXTWGEPZSA-N -1 0 368.434 -0.181 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC000626756894 485117900 /nfs/dbraw/zinc/11/79/00/485117900.db2.gz PSYWTCRHVXVEHR-JSGCOSHPSA-N -1 0 368.434 -0.181 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC000626756895 485118545 /nfs/dbraw/zinc/11/85/45/485118545.db2.gz PSYWTCRHVXVEHR-OCCSQVGLSA-N -1 0 368.434 -0.181 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC000626756896 485118603 /nfs/dbraw/zinc/11/86/03/485118603.db2.gz PSYWTCRHVXVEHR-TZMCWYRMSA-N -1 0 368.434 -0.181 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000626761262 485129589 /nfs/dbraw/zinc/12/95/89/485129589.db2.gz QHORUMCZJDHZRS-GHMZBOCLSA-N -1 0 350.441 -0.429 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000626761263 485130097 /nfs/dbraw/zinc/13/00/97/485130097.db2.gz QHORUMCZJDHZRS-MNOVXSKESA-N -1 0 350.441 -0.429 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000626761264 485130152 /nfs/dbraw/zinc/13/01/52/485130152.db2.gz QHORUMCZJDHZRS-QWRGUYRKSA-N -1 0 350.441 -0.429 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000626761265 485129544 /nfs/dbraw/zinc/12/95/44/485129544.db2.gz QHORUMCZJDHZRS-WDEREUQCSA-N -1 0 350.441 -0.429 20 0 FBADRM CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000626765245 485132046 /nfs/dbraw/zinc/13/20/46/485132046.db2.gz CCTOGTNOVNRBJD-HTAVTVPLSA-N -1 0 363.436 -0.411 20 0 FBADRM CS(=O)(=O)NC[C@H]1COCCN1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000626765246 485132241 /nfs/dbraw/zinc/13/22/41/485132241.db2.gz CCTOGTNOVNRBJD-MCIGGMRASA-N -1 0 363.436 -0.411 20 0 FBADRM CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000626766545 485131712 /nfs/dbraw/zinc/13/17/12/485131712.db2.gz KPFFSDQLVLQHDI-CYBMUJFWSA-N -1 0 371.415 -0.156 20 0 FBADRM CS(=O)(=O)NC[C@H]1COCCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000626766546 485133423 /nfs/dbraw/zinc/13/34/23/485133423.db2.gz KPFFSDQLVLQHDI-ZDUSSCGKSA-N -1 0 371.415 -0.156 20 0 FBADRM CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NCCCCCC(=O)[O-] ZINC000626767014 485133099 /nfs/dbraw/zinc/13/30/99/485133099.db2.gz WURMEVOFBPSOEU-LLVKDONJSA-N -1 0 351.425 -0.409 20 0 FBADRM CS(=O)(=O)NC[C@H]1COCCN1C(=O)NCCCCCC(=O)[O-] ZINC000626767015 485133638 /nfs/dbraw/zinc/13/36/38/485133638.db2.gz WURMEVOFBPSOEU-NSHDSACASA-N -1 0 351.425 -0.409 20 0 FBADRM CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000626768071 485136155 /nfs/dbraw/zinc/13/61/55/485136155.db2.gz XQWKMADYVRHTNP-CYBMUJFWSA-N -1 0 371.415 -0.156 20 0 FBADRM CS(=O)(=O)NC[C@H]1COCCN1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000626768073 485135772 /nfs/dbraw/zinc/13/57/72/485135772.db2.gz XQWKMADYVRHTNP-ZDUSSCGKSA-N -1 0 371.415 -0.156 20 0 FBADRM CC(=O)NCC(=O)N1CCCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000626768534 485136255 /nfs/dbraw/zinc/13/62/55/485136255.db2.gz LXZKJFRFWDLEOJ-UHFFFAOYSA-N -1 0 356.423 -0.133 20 0 FBADRM CC(C)(CCNC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000626768721 485136918 /nfs/dbraw/zinc/13/69/18/485136918.db2.gz OQXBACBYDXWTOT-JTQLQIEISA-N -1 0 351.425 -0.553 20 0 FBADRM CC(C)(CCNC(=O)N1CCOC[C@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000626768722 485137529 /nfs/dbraw/zinc/13/75/29/485137529.db2.gz OQXBACBYDXWTOT-SNVBAGLBSA-N -1 0 351.425 -0.553 20 0 FBADRM CC(C)C[C@H](CNC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000626768726 485137492 /nfs/dbraw/zinc/13/74/92/485137492.db2.gz OXTIDWFUCKYSSF-NEPJUHHUSA-N -1 0 365.452 -0.307 20 0 FBADRM CC(C)C[C@@H](CNC(=O)N1CCOC[C@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000626768730 485136978 /nfs/dbraw/zinc/13/69/78/485136978.db2.gz OXTIDWFUCKYSSF-NWDGAFQWSA-N -1 0 365.452 -0.307 20 0 FBADRM CC(C)C[C@@H](CNC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000626768731 485136835 /nfs/dbraw/zinc/13/68/35/485136835.db2.gz OXTIDWFUCKYSSF-RYUDHWBXSA-N -1 0 365.452 -0.307 20 0 FBADRM CC(C)C[C@H](CNC(=O)N1CCOC[C@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000626768733 485136956 /nfs/dbraw/zinc/13/69/56/485136956.db2.gz OXTIDWFUCKYSSF-VXGBXAGGSA-N -1 0 365.452 -0.307 20 0 FBADRM NC(=O)[C@H]1C[C@H](NC(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)C1 ZINC000626768841 485135820 /nfs/dbraw/zinc/13/58/20/485135820.db2.gz PNBYWJVIZLKIMA-AAVRWANBSA-N -1 0 374.397 -0.024 20 0 FBADRM NC(=O)[C@H]1C[C@H](NC(=O)N[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)C1 ZINC000626768842 485135763 /nfs/dbraw/zinc/13/57/63/485135763.db2.gz PNBYWJVIZLKIMA-SYQHCUMBSA-N -1 0 374.397 -0.024 20 0 FBADRM NC(=O)[C@H]1C[C@H](NC(=O)N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)C1 ZINC000626768843 485136383 /nfs/dbraw/zinc/13/63/83/485136383.db2.gz PNBYWJVIZLKIMA-XDQVBPFNSA-N -1 0 374.397 -0.024 20 0 FBADRM NC(=O)[C@H]1C[C@H](NC(=O)N[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)C1 ZINC000626768844 485135978 /nfs/dbraw/zinc/13/59/78/485135978.db2.gz PNBYWJVIZLKIMA-XUXIUFHCSA-N -1 0 374.397 -0.024 20 0 FBADRM CCC(CC)(CNC(=O)N1CCOC[C@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000626769752 485138408 /nfs/dbraw/zinc/13/84/08/485138408.db2.gz QWCVWVIBFGXHBW-LLVKDONJSA-N -1 0 365.452 -0.163 20 0 FBADRM CCC(CC)(CNC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000626769753 485138079 /nfs/dbraw/zinc/13/80/79/485138079.db2.gz QWCVWVIBFGXHBW-NSHDSACASA-N -1 0 365.452 -0.163 20 0 FBADRM O=C([O-])C1(CNC(=O)N2CCN(c3nccnn3)CC2)CCOCC1 ZINC000626770089 485138709 /nfs/dbraw/zinc/13/87/09/485138709.db2.gz CFVHTLMLQLYEHK-UHFFFAOYSA-N -1 0 350.379 -0.415 20 0 FBADRM CC(=O)NCC(=O)N1CCCN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000626770158 485138041 /nfs/dbraw/zinc/13/80/41/485138041.db2.gz FEFPDWCHWYPQDW-QWHCGFSZSA-N -1 0 354.407 -0.380 20 0 FBADRM CNC(=O)NC[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CCO1 ZINC000626770274 485138465 /nfs/dbraw/zinc/13/84/65/485138465.db2.gz JBYXCWLTAACKLC-LLVKDONJSA-N -1 0 358.395 -0.793 20 0 FBADRM CNC(=O)NC[C@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CCO1 ZINC000626770275 485137942 /nfs/dbraw/zinc/13/79/42/485137942.db2.gz JBYXCWLTAACKLC-NSHDSACASA-N -1 0 358.395 -0.793 20 0 FBADRM CC(=O)NCC(=O)N1CCCN(C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000626773599 485140925 /nfs/dbraw/zinc/14/09/25/485140925.db2.gz QYAKCOABZLIRGT-UHFFFAOYSA-N -1 0 354.407 -0.379 20 0 FBADRM CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000626773849 485140719 /nfs/dbraw/zinc/14/07/19/485140719.db2.gz SIVVXMJVEPCQCE-NEPJUHHUSA-N -1 0 363.436 -0.553 20 0 FBADRM CS(=O)(=O)NC[C@H]1COCCN1C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000626773850 485140705 /nfs/dbraw/zinc/14/07/05/485140705.db2.gz SIVVXMJVEPCQCE-NWDGAFQWSA-N -1 0 363.436 -0.553 20 0 FBADRM CS(=O)(=O)NC[C@H]1COCCN1C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000626773851 485140373 /nfs/dbraw/zinc/14/03/73/485140373.db2.gz SIVVXMJVEPCQCE-RYUDHWBXSA-N -1 0 363.436 -0.553 20 0 FBADRM CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000626773852 485140217 /nfs/dbraw/zinc/14/02/17/485140217.db2.gz SIVVXMJVEPCQCE-VXGBXAGGSA-N -1 0 363.436 -0.553 20 0 FBADRM CC(=O)NCC(=O)N1CCCN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000626774169 485140681 /nfs/dbraw/zinc/14/06/81/485140681.db2.gz VBIFRKODBAOWMD-AWEZNQCLSA-N -1 0 368.434 -0.133 20 0 FBADRM CC(=O)NCC(=O)N1CCCN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000626774170 485140356 /nfs/dbraw/zinc/14/03/56/485140356.db2.gz VBIFRKODBAOWMD-CQSZACIVSA-N -1 0 368.434 -0.133 20 0 FBADRM CC(C)[C@@H](CNC(=O)N1CCOC[C@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000626774340 485141609 /nfs/dbraw/zinc/14/16/09/485141609.db2.gz HMIHXKUMVOHHGO-GHMZBOCLSA-N -1 0 351.425 -0.697 20 0 FBADRM CC(C)[C@H](CNC(=O)N1CCOC[C@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000626774341 485141808 /nfs/dbraw/zinc/14/18/08/485141808.db2.gz HMIHXKUMVOHHGO-MNOVXSKESA-N -1 0 351.425 -0.697 20 0 FBADRM CC(C)[C@H](CNC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000626774342 485141449 /nfs/dbraw/zinc/14/14/49/485141449.db2.gz HMIHXKUMVOHHGO-QWRGUYRKSA-N -1 0 351.425 -0.697 20 0 FBADRM CC(C)[C@@H](CNC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000626774343 485141657 /nfs/dbraw/zinc/14/16/57/485141657.db2.gz HMIHXKUMVOHHGO-WDEREUQCSA-N -1 0 351.425 -0.697 20 0 FBADRM CC(=O)NCC(=O)N1CCCN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000626774838 485141910 /nfs/dbraw/zinc/14/19/10/485141910.db2.gz PRBINHDWYCAADN-CYBMUJFWSA-N -1 0 356.423 -0.277 20 0 FBADRM CC(=O)NCC(=O)N1CCCN(C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1 ZINC000626774839 485141559 /nfs/dbraw/zinc/14/15/59/485141559.db2.gz PRBINHDWYCAADN-ZDUSSCGKSA-N -1 0 356.423 -0.277 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)CCO1 ZINC000626776793 485144024 /nfs/dbraw/zinc/14/40/24/485144024.db2.gz BORQDUHYUVQSAX-GHMZBOCLSA-N -1 0 361.362 -0.802 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)CCO1 ZINC000626776794 485144079 /nfs/dbraw/zinc/14/40/79/485144079.db2.gz BORQDUHYUVQSAX-MNOVXSKESA-N -1 0 361.362 -0.802 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)CCO1 ZINC000626776795 485143693 /nfs/dbraw/zinc/14/36/93/485143693.db2.gz BORQDUHYUVQSAX-QWRGUYRKSA-N -1 0 361.362 -0.802 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)CCO1 ZINC000626776796 485144142 /nfs/dbraw/zinc/14/41/42/485144142.db2.gz BORQDUHYUVQSAX-WDEREUQCSA-N -1 0 361.362 -0.802 20 0 FBADRM Cc1noc([C@@H]2OCC[C@@H]2NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000626779413 485144710 /nfs/dbraw/zinc/14/47/10/485144710.db2.gz JNCRPYIXOWMUNV-JNIYBQFBSA-N -1 0 352.347 -0.049 20 0 FBADRM Cn1cc(C[C@@H](CO)CNC(=O)c2ccc([N-]S(C)(=O)=O)nc2)cn1 ZINC000626886306 485304780 /nfs/dbraw/zinc/30/47/80/485304780.db2.gz ANJGQGWHJPDUSS-GFCCVEGCSA-N -1 0 367.431 -0.232 20 0 FBADRM Cn1cc(C[C@H](CO)CNC(=O)c2ccc([N-]S(C)(=O)=O)nc2)cn1 ZINC000626886308 485304978 /nfs/dbraw/zinc/30/49/78/485304978.db2.gz ANJGQGWHJPDUSS-LBPRGKRZSA-N -1 0 367.431 -0.232 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NC2CC(NS(C)(=O)=O)C2)cn1 ZINC000626935489 485335990 /nfs/dbraw/zinc/33/59/90/485335990.db2.gz JPHYKGCXJVKEMD-UHFFFAOYSA-N -1 0 362.433 -0.737 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CN2CC(=O)N(C)C2=O)ccc1[O-] ZINC000626973747 484218568 /nfs/dbraw/zinc/21/85/68/484218568.db2.gz FDZQMMJXOZOTOW-UHFFFAOYSA-N -1 0 356.360 -0.867 20 0 FBADRM COCCNS(=O)(=O)c1cccc(NC(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000627131761 484351557 /nfs/dbraw/zinc/35/15/57/484351557.db2.gz NZPYWMNQYPGNLF-UHFFFAOYSA-N -1 0 370.391 -0.243 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCCNC(=O)c2cccnc2)CC[C@@H]1C(=O)[O-] ZINC000627263905 484553639 /nfs/dbraw/zinc/55/36/39/484553639.db2.gz KTWSSQIDLHJSGH-AAEUAGOBSA-N -1 0 362.386 -0.503 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCCNC(=O)c2cccnc2)CC[C@H]1C(=O)[O-] ZINC000627263906 484553389 /nfs/dbraw/zinc/55/33/89/484553389.db2.gz KTWSSQIDLHJSGH-DGCLKSJQSA-N -1 0 362.386 -0.503 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCCNC(=O)c2cccnc2)CC[C@H]1C(=O)[O-] ZINC000627263907 484553129 /nfs/dbraw/zinc/55/31/29/484553129.db2.gz KTWSSQIDLHJSGH-WCQYABFASA-N -1 0 362.386 -0.503 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCCNC(=O)c2cccnc2)CC[C@@H]1C(=O)[O-] ZINC000627263908 484552942 /nfs/dbraw/zinc/55/29/42/484552942.db2.gz KTWSSQIDLHJSGH-YPMHNXCESA-N -1 0 362.386 -0.503 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCc2cnc(N(C)C)n2C)CC[C@H]1C(=O)[O-] ZINC000627272770 484796274 /nfs/dbraw/zinc/79/62/74/484796274.db2.gz UJPSUDWOLOIHAE-CMPLNLGQSA-N -1 0 351.407 -0.329 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCc2cnc(N(C)C)n2C)CC[C@@H]1C(=O)[O-] ZINC000627272771 484795974 /nfs/dbraw/zinc/79/59/74/484795974.db2.gz UJPSUDWOLOIHAE-JQWIXIFHSA-N -1 0 351.407 -0.329 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCc2cnc(N(C)C)n2C)CC[C@@H]1C(=O)[O-] ZINC000627272772 484796189 /nfs/dbraw/zinc/79/61/89/484796189.db2.gz UJPSUDWOLOIHAE-PWSUYJOCSA-N -1 0 351.407 -0.329 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCc2cnc(N(C)C)n2C)CC[C@H]1C(=O)[O-] ZINC000627272773 484796243 /nfs/dbraw/zinc/79/62/43/484796243.db2.gz UJPSUDWOLOIHAE-ZYHUDNBSSA-N -1 0 351.407 -0.329 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000627273279 484826830 /nfs/dbraw/zinc/82/68/30/484826830.db2.gz CBGPOFIMFLWLPG-RFQIPJPRSA-N -1 0 372.418 -0.508 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000627273280 484827175 /nfs/dbraw/zinc/82/71/75/484827175.db2.gz CBGPOFIMFLWLPG-XDQVBPFNSA-N -1 0 372.418 -0.508 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000627273281 484826681 /nfs/dbraw/zinc/82/66/81/484826681.db2.gz CBGPOFIMFLWLPG-YIYPIFLZSA-N -1 0 372.418 -0.508 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000627273282 484827288 /nfs/dbraw/zinc/82/72/88/484827288.db2.gz CBGPOFIMFLWLPG-ZOBORPQBSA-N -1 0 372.418 -0.508 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CC2)CC[C@H]1C(=O)[O-] ZINC000627273676 484828303 /nfs/dbraw/zinc/82/83/03/484828303.db2.gz JDYJWHFVUPDJBT-GHMZBOCLSA-N -1 0 360.432 -0.503 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CC2)CC[C@@H]1C(=O)[O-] ZINC000627273677 484828666 /nfs/dbraw/zinc/82/86/66/484828666.db2.gz JDYJWHFVUPDJBT-MNOVXSKESA-N -1 0 360.432 -0.503 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CC2)CC[C@@H]1C(=O)[O-] ZINC000627273678 484828177 /nfs/dbraw/zinc/82/81/77/484828177.db2.gz JDYJWHFVUPDJBT-QWRGUYRKSA-N -1 0 360.432 -0.503 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CC2)CC[C@H]1C(=O)[O-] ZINC000627273679 484828172 /nfs/dbraw/zinc/82/81/72/484828172.db2.gz JDYJWHFVUPDJBT-WDEREUQCSA-N -1 0 360.432 -0.503 20 0 FBADRM COCCn1cc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cn1 ZINC000627273800 484827963 /nfs/dbraw/zinc/82/79/63/484827963.db2.gz KXYTYWLNLGZZNM-AAEUAGOBSA-N -1 0 352.391 -0.285 20 0 FBADRM COCCn1cc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cn1 ZINC000627273801 484828727 /nfs/dbraw/zinc/82/87/27/484828727.db2.gz KXYTYWLNLGZZNM-DGCLKSJQSA-N -1 0 352.391 -0.285 20 0 FBADRM COCCn1cc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cn1 ZINC000627273802 484828111 /nfs/dbraw/zinc/82/81/11/484828111.db2.gz KXYTYWLNLGZZNM-WCQYABFASA-N -1 0 352.391 -0.285 20 0 FBADRM COCCn1cc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cn1 ZINC000627273803 484828245 /nfs/dbraw/zinc/82/82/45/484828245.db2.gz KXYTYWLNLGZZNM-YPMHNXCESA-N -1 0 352.391 -0.285 20 0 FBADRM C[C@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1=O ZINC000627274131 484828251 /nfs/dbraw/zinc/82/82/51/484828251.db2.gz PNIVIXHBRQOJFU-CKIKVBCHSA-N -1 0 351.403 -0.319 20 0 FBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1=O ZINC000627274132 484828564 /nfs/dbraw/zinc/82/85/64/484828564.db2.gz PNIVIXHBRQOJFU-NJMOYASZSA-N -1 0 351.403 -0.319 20 0 FBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CC1=O ZINC000627274133 484828674 /nfs/dbraw/zinc/82/86/74/484828674.db2.gz PNIVIXHBRQOJFU-SYLRKERUSA-N -1 0 351.403 -0.319 20 0 FBADRM C[C@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CC1=O ZINC000627274134 484827976 /nfs/dbraw/zinc/82/79/76/484827976.db2.gz PNIVIXHBRQOJFU-ZOLYEBIHSA-N -1 0 351.403 -0.319 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)C1 ZINC000627274333 484833611 /nfs/dbraw/zinc/83/36/11/484833611.db2.gz RXTXKHLKQUYJTG-GRYCIOLGSA-N -1 0 354.407 -0.524 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC000627274334 484832972 /nfs/dbraw/zinc/83/29/72/484832972.db2.gz RXTXKHLKQUYJTG-SDDRHHMPSA-N -1 0 354.407 -0.524 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC000627274335 484833075 /nfs/dbraw/zinc/83/30/75/484833075.db2.gz RXTXKHLKQUYJTG-SRVKXCTJSA-N -1 0 354.407 -0.524 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)C1 ZINC000627274336 484833742 /nfs/dbraw/zinc/83/37/42/484833742.db2.gz RXTXKHLKQUYJTG-WOPDTQHZSA-N -1 0 354.407 -0.524 20 0 FBADRM CC[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)C(=O)N1CCOCC1 ZINC000627274610 484839775 /nfs/dbraw/zinc/83/97/75/484839775.db2.gz WMNWKOQOWVXRFF-AGIUHOORSA-N -1 0 369.418 -0.691 20 0 FBADRM CC[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000627274611 484839786 /nfs/dbraw/zinc/83/97/86/484839786.db2.gz WMNWKOQOWVXRFF-AVGNSLFASA-N -1 0 369.418 -0.691 20 0 FBADRM CC[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)C(=O)N1CCOCC1 ZINC000627274612 484839718 /nfs/dbraw/zinc/83/97/18/484839718.db2.gz WMNWKOQOWVXRFF-UPJWGTAASA-N -1 0 369.418 -0.691 20 0 FBADRM CC[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000627274613 484839337 /nfs/dbraw/zinc/83/93/37/484839337.db2.gz WMNWKOQOWVXRFF-XQQFMLRXSA-N -1 0 369.418 -0.691 20 0 FBADRM CCNC(=O)C1(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CCC1 ZINC000627275021 485042466 /nfs/dbraw/zinc/04/24/66/485042466.db2.gz BOMHYFXNLBSKLI-NEPJUHHUSA-N -1 0 353.419 -0.022 20 0 FBADRM CCNC(=O)C1(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CCC1 ZINC000627275022 485042930 /nfs/dbraw/zinc/04/29/30/485042930.db2.gz BOMHYFXNLBSKLI-NWDGAFQWSA-N -1 0 353.419 -0.022 20 0 FBADRM CCNC(=O)C1(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CCC1 ZINC000627275023 485042128 /nfs/dbraw/zinc/04/21/28/485042128.db2.gz BOMHYFXNLBSKLI-RYUDHWBXSA-N -1 0 353.419 -0.022 20 0 FBADRM CCNC(=O)C1(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CCC1 ZINC000627275024 485042933 /nfs/dbraw/zinc/04/29/33/485042933.db2.gz BOMHYFXNLBSKLI-VXGBXAGGSA-N -1 0 353.419 -0.022 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)CC[C@@H]1C(=O)[O-] ZINC000627275033 485042851 /nfs/dbraw/zinc/04/28/51/485042851.db2.gz BSHQAHFHZUDVHV-MROQNXINSA-N -1 0 369.418 -0.692 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)CC[C@@H]1C(=O)[O-] ZINC000627275034 485042655 /nfs/dbraw/zinc/04/26/55/485042655.db2.gz BSHQAHFHZUDVHV-VOAKCMCISA-N -1 0 369.418 -0.692 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)CC[C@H]1C(=O)[O-] ZINC000627275035 485043287 /nfs/dbraw/zinc/04/32/87/485043287.db2.gz BSHQAHFHZUDVHV-XQHKEYJVSA-N -1 0 369.418 -0.692 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)CC[C@H]1C(=O)[O-] ZINC000627275036 485042414 /nfs/dbraw/zinc/04/24/14/485042414.db2.gz BSHQAHFHZUDVHV-YVECIDJPSA-N -1 0 369.418 -0.692 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCS2(=O)=O)CC[C@H]1C(=O)[O-] ZINC000627275457 485048652 /nfs/dbraw/zinc/04/86/52/485048652.db2.gz KZPVDVJWIAYHMM-GRYCIOLGSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCCS2(=O)=O)CC[C@H]1C(=O)[O-] ZINC000627275458 485050609 /nfs/dbraw/zinc/05/06/09/485050609.db2.gz KZPVDVJWIAYHMM-IJLUTSLNSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCCS2(=O)=O)CC[C@@H]1C(=O)[O-] ZINC000627275459 485051413 /nfs/dbraw/zinc/05/14/13/485051413.db2.gz KZPVDVJWIAYHMM-UTUOFQBUSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCS2(=O)=O)CC[C@@H]1C(=O)[O-] ZINC000627275460 485051675 /nfs/dbraw/zinc/05/16/75/485051675.db2.gz KZPVDVJWIAYHMM-WOPDTQHZSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCc2nnnn2CC2CC2)CC[C@H]1C(=O)[O-] ZINC000627275679 485063048 /nfs/dbraw/zinc/06/30/48/485063048.db2.gz OVHXRPFIYOGEHO-GXSJLCMTSA-N -1 0 350.379 -0.732 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCc2nnnn2CC2CC2)CC[C@@H]1C(=O)[O-] ZINC000627275680 485063069 /nfs/dbraw/zinc/06/30/69/485063069.db2.gz OVHXRPFIYOGEHO-KOLCDFICSA-N -1 0 350.379 -0.732 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCc2nnnn2CC2CC2)CC[C@H]1C(=O)[O-] ZINC000627275681 485062128 /nfs/dbraw/zinc/06/21/28/485062128.db2.gz OVHXRPFIYOGEHO-MWLCHTKSSA-N -1 0 350.379 -0.732 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCc2nnnn2CC2CC2)CC[C@@H]1C(=O)[O-] ZINC000627275682 485062048 /nfs/dbraw/zinc/06/20/48/485062048.db2.gz OVHXRPFIYOGEHO-ONGXEEELSA-N -1 0 350.379 -0.732 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCC2(S(C)(=O)=O)CCC2)CC[C@H]1C(=O)[O-] ZINC000627276123 485086566 /nfs/dbraw/zinc/08/65/66/485086566.db2.gz YZQIUVRUMDYTIR-GHMZBOCLSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCC2(S(C)(=O)=O)CCC2)CC[C@@H]1C(=O)[O-] ZINC000627276124 485086301 /nfs/dbraw/zinc/08/63/01/485086301.db2.gz YZQIUVRUMDYTIR-MNOVXSKESA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCC2(S(C)(=O)=O)CCC2)CC[C@@H]1C(=O)[O-] ZINC000627276125 485086137 /nfs/dbraw/zinc/08/61/37/485086137.db2.gz YZQIUVRUMDYTIR-QWRGUYRKSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCC2(S(C)(=O)=O)CCC2)CC[C@H]1C(=O)[O-] ZINC000627276126 485085950 /nfs/dbraw/zinc/08/59/50/485085950.db2.gz YZQIUVRUMDYTIR-WDEREUQCSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)CC[C@H]1C(=O)[O-] ZINC000627276818 485121161 /nfs/dbraw/zinc/12/11/61/485121161.db2.gz QEKVVWIZKWHJTI-FDYHWXHSSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)CC[C@@H]1C(=O)[O-] ZINC000627276819 485121514 /nfs/dbraw/zinc/12/15/14/485121514.db2.gz QEKVVWIZKWHJTI-FVCCEPFGSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)CC[C@@H]1C(=O)[O-] ZINC000627276820 485121265 /nfs/dbraw/zinc/12/12/65/485121265.db2.gz QEKVVWIZKWHJTI-MROQNXINSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)CC[C@H]1C(=O)[O-] ZINC000627276821 485121026 /nfs/dbraw/zinc/12/10/26/485121026.db2.gz QEKVVWIZKWHJTI-YVECIDJPSA-N -1 0 351.403 -0.175 20 0 FBADRM O=C([O-])CCCCCNC(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000627276953 485123602 /nfs/dbraw/zinc/12/36/02/485123602.db2.gz SZEQVSPYMXNUKD-UHFFFAOYSA-N -1 0 350.379 -0.719 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)S(C)(=O)=O)CC[C@H]1C(=O)[O-] ZINC000627276961 485124739 /nfs/dbraw/zinc/12/47/39/485124739.db2.gz TYYRIFQPAPUIOW-GHMZBOCLSA-N -1 0 362.448 -0.115 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)S(C)(=O)=O)CC[C@@H]1C(=O)[O-] ZINC000627276962 485124589 /nfs/dbraw/zinc/12/45/89/485124589.db2.gz TYYRIFQPAPUIOW-MNOVXSKESA-N -1 0 362.448 -0.115 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCCC(C)(C)S(C)(=O)=O)CC[C@@H]1C(=O)[O-] ZINC000627276963 485125435 /nfs/dbraw/zinc/12/54/35/485125435.db2.gz TYYRIFQPAPUIOW-QWRGUYRKSA-N -1 0 362.448 -0.115 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCCC(C)(C)S(C)(=O)=O)CC[C@H]1C(=O)[O-] ZINC000627276964 485122704 /nfs/dbraw/zinc/12/27/04/485122704.db2.gz TYYRIFQPAPUIOW-WDEREUQCSA-N -1 0 362.448 -0.115 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CCC2)CC[C@@H]1C(=O)[O-] ZINC000627277080 485137976 /nfs/dbraw/zinc/13/79/76/485137976.db2.gz XBKUWEHHHUVZAG-NEPJUHHUSA-N -1 0 374.459 -0.113 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CCC2)CC[C@H]1C(=O)[O-] ZINC000627277081 485138045 /nfs/dbraw/zinc/13/80/45/485138045.db2.gz XBKUWEHHHUVZAG-NWDGAFQWSA-N -1 0 374.459 -0.113 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CCC2)CC[C@@H]1C(=O)[O-] ZINC000627277082 485138242 /nfs/dbraw/zinc/13/82/42/485138242.db2.gz XBKUWEHHHUVZAG-RYUDHWBXSA-N -1 0 374.459 -0.113 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CCC2)CC[C@H]1C(=O)[O-] ZINC000627277083 485138074 /nfs/dbraw/zinc/13/80/74/485138074.db2.gz XBKUWEHHHUVZAG-VXGBXAGGSA-N -1 0 374.459 -0.113 20 0 FBADRM C[C@@H]1[C@H](NC(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)CCS1(=O)=O ZINC000627277177 484381584 /nfs/dbraw/zinc/38/15/84/484381584.db2.gz AGQWSVQYTTZCKV-BXKDBHETSA-N -1 0 354.384 -0.307 20 0 FBADRM O=C([O-])c1ccc(CNC(=O)C(=O)N2CCN(c3nccnn3)CC2)cc1 ZINC000627277252 484380937 /nfs/dbraw/zinc/38/09/37/484380937.db2.gz CLKDKNJPWGVAEJ-UHFFFAOYSA-N -1 0 370.369 -0.465 20 0 FBADRM C[C@@H]1[C@H](NC(=O)C(=O)NCc2cccc(C(=O)[O-])c2)CCS1(=O)=O ZINC000627277744 484381342 /nfs/dbraw/zinc/38/13/42/484381342.db2.gz WEPSXYALGGOOPX-BXKDBHETSA-N -1 0 354.384 -0.307 20 0 FBADRM O=C([O-])C1CCC(NC(=O)C(=O)N2CCN(c3nccnn3)CC2)CC1 ZINC000627277786 484381527 /nfs/dbraw/zinc/38/15/27/484381527.db2.gz YQICQMPSYOTLPA-UHFFFAOYSA-N -1 0 362.390 -0.720 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCN(c2nccnn2)CC1)C(=O)[O-] ZINC000627277823 484380721 /nfs/dbraw/zinc/38/07/21/484380721.db2.gz AKYZEZKQBKVKRI-GFCCVEGCSA-N -1 0 364.406 -0.617 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(c2nccnn2)CC1)C(=O)[O-] ZINC000627277824 484381618 /nfs/dbraw/zinc/38/16/18/484381618.db2.gz AKYZEZKQBKVKRI-LBPRGKRZSA-N -1 0 364.406 -0.617 20 0 FBADRM CNC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CCO1 ZINC000627278251 484381553 /nfs/dbraw/zinc/38/15/53/484381553.db2.gz MPFVNYVIEBASHR-NEPJUHHUSA-N -1 0 372.422 -0.994 20 0 FBADRM CNC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CCO1 ZINC000627278252 484380594 /nfs/dbraw/zinc/38/05/94/484380594.db2.gz MPFVNYVIEBASHR-NWDGAFQWSA-N -1 0 372.422 -0.994 20 0 FBADRM CNC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CCO1 ZINC000627278253 484381521 /nfs/dbraw/zinc/38/15/21/484381521.db2.gz MPFVNYVIEBASHR-RYUDHWBXSA-N -1 0 372.422 -0.994 20 0 FBADRM CNC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CCO1 ZINC000627278254 484381857 /nfs/dbraw/zinc/38/18/57/484381857.db2.gz MPFVNYVIEBASHR-VXGBXAGGSA-N -1 0 372.422 -0.994 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCN(c2nccnn2)CC1)C(=O)[O-] ZINC000627278425 484381778 /nfs/dbraw/zinc/38/17/78/484381778.db2.gz PPZZMZZQJQWHBA-UHFFFAOYSA-N -1 0 364.406 -0.473 20 0 FBADRM O=C([O-])c1cccc(CNC(=O)C(=O)N2CCN(c3nccnn3)CC2)c1 ZINC000627278553 484381771 /nfs/dbraw/zinc/38/17/71/484381771.db2.gz SXOBSDIEBHSOJW-UHFFFAOYSA-N -1 0 370.369 -0.465 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCO[C@H](CNC(=O)NC)C1)C(=O)[O-] ZINC000627278566 484381609 /nfs/dbraw/zinc/38/16/09/484381609.db2.gz UIGDHJCDBWCTCD-LLVKDONJSA-N -1 0 372.422 -0.850 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCO[C@@H](CNC(=O)NC)C1)C(=O)[O-] ZINC000627278567 484380973 /nfs/dbraw/zinc/38/09/73/484380973.db2.gz UIGDHJCDBWCTCD-NSHDSACASA-N -1 0 372.422 -0.850 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N1CCN(c2nccnn2)CC1)C(=O)[O-] ZINC000627278709 484381263 /nfs/dbraw/zinc/38/12/63/484381263.db2.gz ZMGBPIPQPCBCDB-UHFFFAOYSA-N -1 0 350.379 -0.863 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCO[C@H](CC(N)=O)C1)CC(=O)[O-] ZINC000627278733 484382640 /nfs/dbraw/zinc/38/26/40/484382640.db2.gz AAICKYZBRGFMMA-NWDGAFQWSA-N -1 0 357.407 -0.658 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1)CC(=O)[O-] ZINC000627278734 484382632 /nfs/dbraw/zinc/38/26/32/484382632.db2.gz AAICKYZBRGFMMA-RYUDHWBXSA-N -1 0 357.407 -0.658 20 0 FBADRM C[C@H](NC(=O)C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000627278783 484382648 /nfs/dbraw/zinc/38/26/48/484382648.db2.gz ARXXNOOLUVXVAR-HHHUOAJASA-N -1 0 353.419 -0.040 20 0 FBADRM C[C@@H](NC(=O)C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000627278784 484383274 /nfs/dbraw/zinc/38/32/74/484383274.db2.gz ARXXNOOLUVXVAR-LDMBFOFVSA-N -1 0 353.419 -0.040 20 0 FBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC000627278789 484383001 /nfs/dbraw/zinc/38/30/01/484383001.db2.gz AUFBUKCZFGQPAS-GHMZBOCLSA-N -1 0 360.432 -0.361 20 0 FBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC000627278790 484382353 /nfs/dbraw/zinc/38/23/53/484382353.db2.gz AUFBUKCZFGQPAS-MNOVXSKESA-N -1 0 360.432 -0.361 20 0 FBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC000627278791 484382851 /nfs/dbraw/zinc/38/28/51/484382851.db2.gz AUFBUKCZFGQPAS-QWRGUYRKSA-N -1 0 360.432 -0.361 20 0 FBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC000627278792 484382387 /nfs/dbraw/zinc/38/23/87/484382387.db2.gz AUFBUKCZFGQPAS-WDEREUQCSA-N -1 0 360.432 -0.361 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C)CC(=O)[O-] ZINC000627278848 484383303 /nfs/dbraw/zinc/38/33/03/484383303.db2.gz BNCSXDHNBLUCMX-GRYCIOLGSA-N -1 0 362.448 -0.069 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000627278849 484382657 /nfs/dbraw/zinc/38/26/57/484382657.db2.gz BNUCEOCEAVOPHD-FIQHERPVSA-N -1 0 369.418 -0.659 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000627278850 484382482 /nfs/dbraw/zinc/38/24/82/484382482.db2.gz BNUCEOCEAVOPHD-NOOOWODRSA-N -1 0 369.418 -0.659 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CCO[C@H](CC(N)=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000627278851 484382768 /nfs/dbraw/zinc/38/27/68/484382768.db2.gz BNUCEOCEAVOPHD-WHOHXGKFSA-N -1 0 369.418 -0.659 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCO[C@H](CC(N)=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000627278852 484382982 /nfs/dbraw/zinc/38/29/82/484382982.db2.gz BNUCEOCEAVOPHD-WISYIIOYSA-N -1 0 369.418 -0.659 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCc2cc(=O)n3ccccc3n2)CC[C@@H]1C(=O)[O-] ZINC000627278950 484382224 /nfs/dbraw/zinc/38/22/24/484382224.db2.gz DEXDBYGLDIPEDE-AAEUAGOBSA-N -1 0 372.381 -0.120 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCc2cc(=O)n3ccccc3n2)CC[C@H]1C(=O)[O-] ZINC000627278951 484382599 /nfs/dbraw/zinc/38/25/99/484382599.db2.gz DEXDBYGLDIPEDE-DGCLKSJQSA-N -1 0 372.381 -0.120 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCc2cc(=O)n3ccccc3n2)CC[C@H]1C(=O)[O-] ZINC000627278952 484383141 /nfs/dbraw/zinc/38/31/41/484383141.db2.gz DEXDBYGLDIPEDE-WCQYABFASA-N -1 0 372.381 -0.120 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCc2cc(=O)n3ccccc3n2)CC[C@@H]1C(=O)[O-] ZINC000627278953 484382471 /nfs/dbraw/zinc/38/24/71/484382471.db2.gz DEXDBYGLDIPEDE-YPMHNXCESA-N -1 0 372.381 -0.120 20 0 FBADRM C[C@@H](NC(=O)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000627279035 484382735 /nfs/dbraw/zinc/38/27/35/484382735.db2.gz FPBZTWSNEBHJCE-RMPHRYRLSA-N -1 0 374.459 -0.070 20 0 FBADRM C[C@H](NC(=O)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000627279036 484382542 /nfs/dbraw/zinc/38/25/42/484382542.db2.gz FPBZTWSNEBHJCE-RNWYCLNJSA-N -1 0 374.459 -0.070 20 0 FBADRM C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CS1(=O)=O ZINC000627279160 484382271 /nfs/dbraw/zinc/38/22/71/484382271.db2.gz HMQZAOGWWHJNQE-DDHJBXDOSA-N -1 0 360.432 -0.363 20 0 FBADRM C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CS1(=O)=O ZINC000627279161 484382480 /nfs/dbraw/zinc/38/24/80/484382480.db2.gz HMQZAOGWWHJNQE-KKOKHZNYSA-N -1 0 360.432 -0.363 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)CC[C@@H]1C(=O)[O-] ZINC000627279162 484383133 /nfs/dbraw/zinc/38/31/33/484383133.db2.gz HMQZAOGWWHJNQE-KXNHARMFSA-N -1 0 360.432 -0.363 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)CC[C@H]1C(=O)[O-] ZINC000627279163 484382869 /nfs/dbraw/zinc/38/28/69/484382869.db2.gz HMQZAOGWWHJNQE-WRWGMCAJSA-N -1 0 360.432 -0.363 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCc2nnn(C(C)(C)C)n2)CC[C@H]1C(=O)[O-] ZINC000627279736 484383048 /nfs/dbraw/zinc/38/30/48/484383048.db2.gz SQFSQJWGNFUVAG-NXEZZACHSA-N -1 0 352.395 -0.387 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCc2nnn(C(C)(C)C)n2)CC[C@@H]1C(=O)[O-] ZINC000627279737 484383211 /nfs/dbraw/zinc/38/32/11/484383211.db2.gz SQFSQJWGNFUVAG-UWVGGRQHSA-N -1 0 352.395 -0.387 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCc2nnn(C(C)(C)C)n2)CC[C@H]1C(=O)[O-] ZINC000627279738 484382794 /nfs/dbraw/zinc/38/27/94/484382794.db2.gz SQFSQJWGNFUVAG-VHSXEESVSA-N -1 0 352.395 -0.387 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCc2nnn(C(C)(C)C)n2)CC[C@@H]1C(=O)[O-] ZINC000627279739 484383285 /nfs/dbraw/zinc/38/32/85/484383285.db2.gz SQFSQJWGNFUVAG-ZJUUUORDSA-N -1 0 352.395 -0.387 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCN(c2nccnn2)CC1)C1CCC1 ZINC000627280437 484383201 /nfs/dbraw/zinc/38/32/01/484383201.db2.gz HZYZGABWDCMIQH-GFCCVEGCSA-N -1 0 362.390 -0.863 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCN(c2nccnn2)CC1)C1CCC1 ZINC000627280438 484383308 /nfs/dbraw/zinc/38/33/08/484383308.db2.gz HZYZGABWDCMIQH-LBPRGKRZSA-N -1 0 362.390 -0.863 20 0 FBADRM COc1cccc([C@H](CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)OC)c1 ZINC000627280536 484382574 /nfs/dbraw/zinc/38/25/74/484382574.db2.gz JPJRFRQGGJYBIX-KBPBESRZSA-N -1 0 366.370 -0.189 20 0 FBADRM COc1cccc([C@@H](CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)OC)c1 ZINC000627280537 484383280 /nfs/dbraw/zinc/38/32/80/484383280.db2.gz JPJRFRQGGJYBIX-KGLIPLIRSA-N -1 0 366.370 -0.189 20 0 FBADRM COc1cccc([C@H](CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)OC)c1 ZINC000627280538 484383190 /nfs/dbraw/zinc/38/31/90/484383190.db2.gz JPJRFRQGGJYBIX-UONOGXRCSA-N -1 0 366.370 -0.189 20 0 FBADRM COc1cccc([C@@H](CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)OC)c1 ZINC000627280539 484383270 /nfs/dbraw/zinc/38/32/70/484383270.db2.gz JPJRFRQGGJYBIX-ZIAGYGMSSA-N -1 0 366.370 -0.189 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CCC2)C1=O)C1CCC1 ZINC000627280808 484382533 /nfs/dbraw/zinc/38/25/33/484382533.db2.gz OXDIMVQKDAYQNN-CHWSQXEVSA-N -1 0 351.403 -0.127 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CCC2)C1=O)C1CCC1 ZINC000627280809 484383295 /nfs/dbraw/zinc/38/32/95/484383295.db2.gz OXDIMVQKDAYQNN-OLZOCXBDSA-N -1 0 351.403 -0.127 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CCC2)C1=O)C1CCC1 ZINC000627280810 484382411 /nfs/dbraw/zinc/38/24/11/484382411.db2.gz OXDIMVQKDAYQNN-QWHCGFSZSA-N -1 0 351.403 -0.127 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CCC2)C1=O)C1CCC1 ZINC000627280811 484383078 /nfs/dbraw/zinc/38/30/78/484383078.db2.gz OXDIMVQKDAYQNN-STQMWFEESA-N -1 0 351.403 -0.127 20 0 FBADRM Cc1cccc2c1C[C@H](NC(=O)C(=O)N1C[C@@H]3COC[C@]3(C(=O)[O-])C1)CO2 ZINC000627281381 484382878 /nfs/dbraw/zinc/38/28/78/484382878.db2.gz BUTZUOGHFXGVJR-QHRIQVFBSA-N -1 0 374.393 -0.026 20 0 FBADRM Cc1cccc2c1C[C@@H](NC(=O)C(=O)N1C[C@@H]3COC[C@]3(C(=O)[O-])C1)CO2 ZINC000627281382 484383008 /nfs/dbraw/zinc/38/30/08/484383008.db2.gz BUTZUOGHFXGVJR-VLXJIEOASA-N -1 0 374.393 -0.026 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@H](n2cccn2)C(F)(F)F)CCO1 ZINC000627281422 484382716 /nfs/dbraw/zinc/38/27/16/484382716.db2.gz CLQRXUSUATYWEP-BDAKNGLRSA-N -1 0 364.280 -0.585 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H](n2cccn2)C(F)(F)F)CCO1 ZINC000627281423 484382405 /nfs/dbraw/zinc/38/24/05/484382405.db2.gz CLQRXUSUATYWEP-DTWKUNHWSA-N -1 0 364.280 -0.585 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@H](n2cccn2)C(F)(F)F)CCO1 ZINC000627281424 484382239 /nfs/dbraw/zinc/38/22/39/484382239.db2.gz CLQRXUSUATYWEP-IUCAKERBSA-N -1 0 364.280 -0.585 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@H](n2cccn2)C(F)(F)F)CCO1 ZINC000627281425 484383291 /nfs/dbraw/zinc/38/32/91/484383291.db2.gz CLQRXUSUATYWEP-RKDXNWHRSA-N -1 0 364.280 -0.585 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NC[C@@H]1Cc3ccccc3CO1)C2 ZINC000627281913 484382209 /nfs/dbraw/zinc/38/22/09/484382209.db2.gz OYSDXIQDHVUWDX-ZRGWGRIASA-N -1 0 374.393 -0.196 20 0 FBADRM Cn1ncc(C(F)(F)F)c1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000627281952 484382840 /nfs/dbraw/zinc/38/28/40/484382840.db2.gz PXPUUGUVCRXOBD-SECBINFHSA-N -1 0 364.280 -0.633 20 0 FBADRM Cn1ncc(C(F)(F)F)c1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000627281953 484382960 /nfs/dbraw/zinc/38/29/60/484382960.db2.gz PXPUUGUVCRXOBD-VIFPVBQESA-N -1 0 364.280 -0.633 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)NCC3CC=CC3)CC2)C1 ZINC000627281962 484382505 /nfs/dbraw/zinc/38/25/05/484382505.db2.gz QDFXMIYVDHNOEO-CYBMUJFWSA-N -1 0 363.414 -0.007 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C(=O)NCC3CC=CC3)CC2)C1 ZINC000627281963 484382395 /nfs/dbraw/zinc/38/23/95/484382395.db2.gz QDFXMIYVDHNOEO-ZDUSSCGKSA-N -1 0 363.414 -0.007 20 0 FBADRM C[C@@]1(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)COc2ccccc2O1 ZINC000627282040 484382744 /nfs/dbraw/zinc/38/27/44/484382744.db2.gz RKAKOUKDOIHEQY-CXAGYDPISA-N -1 0 364.354 -0.355 20 0 FBADRM C[C@]1(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)COc2ccccc2O1 ZINC000627282041 484383259 /nfs/dbraw/zinc/38/32/59/484383259.db2.gz RKAKOUKDOIHEQY-DYVFJYSZSA-N -1 0 364.354 -0.355 20 0 FBADRM C[C@]1(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)COc2ccccc2O1 ZINC000627282042 484382757 /nfs/dbraw/zinc/38/27/57/484382757.db2.gz RKAKOUKDOIHEQY-GUYCJALGSA-N -1 0 364.354 -0.355 20 0 FBADRM C[C@@]1(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)COc2ccccc2O1 ZINC000627282043 484383299 /nfs/dbraw/zinc/38/32/99/484383299.db2.gz RKAKOUKDOIHEQY-SUMWQHHRSA-N -1 0 364.354 -0.355 20 0 FBADRM C[C@@H]1[C@H](NC(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CCS1(=O)=O ZINC000627283697 484403755 /nfs/dbraw/zinc/40/37/55/484403755.db2.gz IOIYXDRUFYITJP-GRYCIOLGSA-N -1 0 360.432 -0.218 20 0 FBADRM C[C@@H]1[C@H](NC(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CCS1(=O)=O ZINC000627283698 484404209 /nfs/dbraw/zinc/40/42/09/484404209.db2.gz IOIYXDRUFYITJP-IJLUTSLNSA-N -1 0 360.432 -0.218 20 0 FBADRM C[C@@H]1[C@H](NC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CCS1(=O)=O ZINC000627283945 484404570 /nfs/dbraw/zinc/40/45/70/484404570.db2.gz NZNPYNBFCVFVNH-ZYHUDNBSSA-N -1 0 360.432 -0.218 20 0 FBADRM Cn1c(=O)oc2ccc(CNC(=O)C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc21 ZINC000627284332 484404660 /nfs/dbraw/zinc/40/46/60/484404660.db2.gz WLNBJORYJMIHFW-GFCCVEGCSA-N -1 0 363.326 -0.940 20 0 FBADRM Cn1c(=O)oc2ccc(CNC(=O)C(=O)N3CCO[C@H](C(=O)[O-])C3)cc21 ZINC000627284333 484403842 /nfs/dbraw/zinc/40/38/42/484403842.db2.gz WLNBJORYJMIHFW-LBPRGKRZSA-N -1 0 363.326 -0.940 20 0 FBADRM CN1C(=O)c2ccccc2[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000627284456 484404687 /nfs/dbraw/zinc/40/46/87/484404687.db2.gz ZJZBUZLTLDWEAD-CHWSQXEVSA-N -1 0 361.354 -0.759 20 0 FBADRM CN1C(=O)c2ccccc2[C@H]1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000627284457 484404291 /nfs/dbraw/zinc/40/42/91/484404291.db2.gz ZJZBUZLTLDWEAD-OLZOCXBDSA-N -1 0 361.354 -0.759 20 0 FBADRM CN1C(=O)c2ccccc2[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000627284458 484403862 /nfs/dbraw/zinc/40/38/62/484403862.db2.gz ZJZBUZLTLDWEAD-QWHCGFSZSA-N -1 0 361.354 -0.759 20 0 FBADRM CN1C(=O)c2ccccc2[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000627284459 484405913 /nfs/dbraw/zinc/40/59/13/484405913.db2.gz ZJZBUZLTLDWEAD-STQMWFEESA-N -1 0 361.354 -0.759 20 0 FBADRM CC(C)(CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)C(=O)N1CCCC1 ZINC000627284460 484405624 /nfs/dbraw/zinc/40/56/24/484405624.db2.gz ZKPDQAFCWPFAGT-LLVKDONJSA-N -1 0 355.391 -0.937 20 0 FBADRM CC(C)(CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)C(=O)N1CCCC1 ZINC000627284461 484405849 /nfs/dbraw/zinc/40/58/49/484405849.db2.gz ZKPDQAFCWPFAGT-NSHDSACASA-N -1 0 355.391 -0.937 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1 ZINC000627285754 484405094 /nfs/dbraw/zinc/40/50/94/484405094.db2.gz PQDMDPLWSIQXNG-MDZLAQPJSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000627285755 484405943 /nfs/dbraw/zinc/40/59/43/484405943.db2.gz PQDMDPLWSIQXNG-NQBHXWOUSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000627285756 484406289 /nfs/dbraw/zinc/40/62/89/484406289.db2.gz PQDMDPLWSIQXNG-NTZNESFSSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1 ZINC000627285757 484405629 /nfs/dbraw/zinc/40/56/29/484405629.db2.gz PQDMDPLWSIQXNG-WZRBSPASSA-N -1 0 351.403 -0.175 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@@H]2CCN(C3CCC3)C2=O)CCOCC1 ZINC000627286121 484408934 /nfs/dbraw/zinc/40/89/34/484408934.db2.gz CCORDQQYRJQXEI-GFCCVEGCSA-N -1 0 367.402 -0.746 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@H]2CCN(C3CCC3)C2=O)CCOCC1 ZINC000627286122 484408988 /nfs/dbraw/zinc/40/89/88/484408988.db2.gz CCORDQQYRJQXEI-LBPRGKRZSA-N -1 0 367.402 -0.746 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C[C@@H]1C(=O)[O-] ZINC000627286234 484410488 /nfs/dbraw/zinc/41/04/88/484410488.db2.gz GZZOWYNMZIANRM-KGYLQXTDSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C(=O)[O-] ZINC000627286235 484410449 /nfs/dbraw/zinc/41/04/49/484410449.db2.gz GZZOWYNMZIANRM-RAIGVLPGSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCC3)C2=O)C[C@H]1C(=O)[O-] ZINC000627286236 484410611 /nfs/dbraw/zinc/41/06/11/484410611.db2.gz GZZOWYNMZIANRM-RTXFEEFZSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCC3)C2=O)C[C@@H]1C(=O)[O-] ZINC000627286237 484409975 /nfs/dbraw/zinc/40/99/75/484409975.db2.gz GZZOWYNMZIANRM-WXHSDQCUSA-N -1 0 351.403 -0.175 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1 ZINC000627286238 484409979 /nfs/dbraw/zinc/40/99/79/484409979.db2.gz HBAKXCDSMOWSKC-AAEUAGOBSA-N -1 0 351.403 -0.031 20 0 FBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000627286239 484409836 /nfs/dbraw/zinc/40/98/36/484409836.db2.gz HBAKXCDSMOWSKC-DGCLKSJQSA-N -1 0 351.403 -0.031 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000627286240 484410538 /nfs/dbraw/zinc/41/05/38/484410538.db2.gz HBAKXCDSMOWSKC-WCQYABFASA-N -1 0 351.403 -0.031 20 0 FBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1 ZINC000627286241 484410240 /nfs/dbraw/zinc/41/02/40/484410240.db2.gz HBAKXCDSMOWSKC-YPMHNXCESA-N -1 0 351.403 -0.031 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000627286383 484410105 /nfs/dbraw/zinc/41/01/05/484410105.db2.gz LHYQNPBDVAAEKM-GFCCVEGCSA-N -1 0 351.403 -0.031 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000627286384 484410176 /nfs/dbraw/zinc/41/01/76/484410176.db2.gz LHYQNPBDVAAEKM-LBPRGKRZSA-N -1 0 351.403 -0.031 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCC3)C2=O)CC[C@@H]1C(=O)[O-] ZINC000627286404 484410070 /nfs/dbraw/zinc/41/00/70/484410070.db2.gz LZFKYFKJMAVPSJ-KGYLQXTDSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCC3)C2=O)CC[C@H]1C(=O)[O-] ZINC000627286405 484409671 /nfs/dbraw/zinc/40/96/71/484409671.db2.gz LZFKYFKJMAVPSJ-RAIGVLPGSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCC3)C2=O)CC[C@H]1C(=O)[O-] ZINC000627286406 484410520 /nfs/dbraw/zinc/41/05/20/484410520.db2.gz LZFKYFKJMAVPSJ-RTXFEEFZSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCC3)C2=O)CC[C@@H]1C(=O)[O-] ZINC000627286407 484410515 /nfs/dbraw/zinc/41/05/15/484410515.db2.gz LZFKYFKJMAVPSJ-WXHSDQCUSA-N -1 0 351.403 -0.175 20 0 FBADRM CC(C)n1nnnc1-c1cccc(NC(=O)C(=O)NCc2nnn[n-]2)c1 ZINC000627346709 484752920 /nfs/dbraw/zinc/75/29/20/484752920.db2.gz BXTNODXYYRMWLD-UHFFFAOYSA-N -1 0 356.350 -0.311 20 0 FBADRM CN(C)S(=O)(=O)CCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000627419343 484530169 /nfs/dbraw/zinc/53/01/69/484530169.db2.gz UQFGGEUCJGNXDU-UHFFFAOYSA-N -1 0 350.422 -0.926 20 0 FBADRM CC(C)n1nnnc1-c1cccc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000627452832 484907960 /nfs/dbraw/zinc/90/79/60/484907960.db2.gz VZIJETVSIXDHIY-UHFFFAOYSA-N -1 0 371.361 0.000 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC(CN3CCOCC3)C2)cn1 ZINC000627457052 484910516 /nfs/dbraw/zinc/91/05/16/484910516.db2.gz IQAXGBZHCRYWQD-UHFFFAOYSA-N -1 0 354.432 -0.143 20 0 FBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000627593690 484953911 /nfs/dbraw/zinc/95/39/11/484953911.db2.gz BYGCHDREWZIPOZ-JTQLQIEISA-N -1 0 364.449 -0.489 20 0 FBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000627593691 484953836 /nfs/dbraw/zinc/95/38/36/484953836.db2.gz BYGCHDREWZIPOZ-SNVBAGLBSA-N -1 0 364.449 -0.489 20 0 FBADRM C[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C[C@H](C)N1CCO ZINC000627637471 484959115 /nfs/dbraw/zinc/95/91/15/484959115.db2.gz HSUSQSVPRIJPTL-TXEJJXNPSA-N -1 0 356.448 -0.020 20 0 FBADRM COCCNC(=O)C1(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1 ZINC000627727136 484968030 /nfs/dbraw/zinc/96/80/30/484968030.db2.gz WEUMHADMDVEFCR-UHFFFAOYSA-N -1 0 356.404 -0.522 20 0 FBADRM Cc1ccsc1-c1nc(=NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)s[n-]1 ZINC000627737700 484970882 /nfs/dbraw/zinc/97/08/82/484970882.db2.gz KWZXEWMLOBZDIQ-YUMQZZPRSA-N -1 0 354.413 -0.501 20 0 FBADRM C[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)[C@@H](C)CN1CCO ZINC000627777271 484983302 /nfs/dbraw/zinc/98/33/02/484983302.db2.gz UZTLPHOXAOZOLJ-NEPJUHHUSA-N -1 0 356.448 -0.020 20 0 FBADRM C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000627777272 484983240 /nfs/dbraw/zinc/98/32/40/484983240.db2.gz UZTLPHOXAOZOLJ-NWDGAFQWSA-N -1 0 356.448 -0.020 20 0 FBADRM C[C@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)[C@@H](C)CN1CCO ZINC000627777273 484982893 /nfs/dbraw/zinc/98/28/93/484982893.db2.gz UZTLPHOXAOZOLJ-RYUDHWBXSA-N -1 0 356.448 -0.020 20 0 FBADRM C[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)[C@H](C)CN1CCO ZINC000627777274 484983020 /nfs/dbraw/zinc/98/30/20/484983020.db2.gz UZTLPHOXAOZOLJ-VXGBXAGGSA-N -1 0 356.448 -0.020 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCc3nnnn3CC2)cn1 ZINC000627797845 484987362 /nfs/dbraw/zinc/98/73/62/484987362.db2.gz LMHVOZHYUNPXCO-JTQLQIEISA-N -1 0 351.392 -0.426 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CCc3nnnn3CC2)cn1 ZINC000627797846 484986785 /nfs/dbraw/zinc/98/67/85/484986785.db2.gz LMHVOZHYUNPXCO-SNVBAGLBSA-N -1 0 351.392 -0.426 20 0 FBADRM Cc1nc(=NC(=O)C(=O)NCCNc2cc(C)nc(C(C)C)n2)[n-]n1C ZINC000627843674 484993908 /nfs/dbraw/zinc/99/39/08/484993908.db2.gz CBSCRDSMOHDJNW-UHFFFAOYSA-N -1 0 360.422 -0.644 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NCC(=O)N1CCCO1 ZINC000627877782 484999053 /nfs/dbraw/zinc/99/90/53/484999053.db2.gz QICQSZYQVQCMFA-UHFFFAOYSA-N -1 0 363.342 -0.477 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCC(=O)N2CCCO2)c1 ZINC000627887003 485000848 /nfs/dbraw/zinc/00/08/48/485000848.db2.gz KABPKESZIAQDDF-UHFFFAOYSA-N -1 0 357.388 -0.464 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC2CC(N3CCOCC3)C2)c1 ZINC000627942120 485002988 /nfs/dbraw/zinc/00/29/88/485002988.db2.gz GOVRKSKBYVUUHU-UHFFFAOYSA-N -1 0 355.416 -0.367 20 0 FBADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)C(=O)NCCN1CC[C@@H](O)C1 ZINC000627982325 485008151 /nfs/dbraw/zinc/00/81/51/485008151.db2.gz DWHXZGLDGSUZRM-GFCCVEGCSA-N -1 0 361.427 -0.252 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cn1 ZINC000627989411 483454946 /nfs/dbraw/zinc/45/49/46/483454946.db2.gz NTLGLWSFGBTVOS-JTQLQIEISA-N -1 0 362.433 -0.783 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cn1 ZINC000627989412 483455098 /nfs/dbraw/zinc/45/50/98/483455098.db2.gz NTLGLWSFGBTVOS-SNVBAGLBSA-N -1 0 362.433 -0.783 20 0 FBADRM CC(C)(C)c1nc(=NC(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)s[n-]1 ZINC000628019172 483464209 /nfs/dbraw/zinc/46/42/09/483464209.db2.gz VGRWORJPDFTLBD-MRVPVSSYSA-N -1 0 355.420 -0.701 20 0 FBADRM CC(C)(C)c1nc(=NC(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)s[n-]1 ZINC000628019173 483463897 /nfs/dbraw/zinc/46/38/97/483463897.db2.gz VGRWORJPDFTLBD-QMMMGPOBSA-N -1 0 355.420 -0.701 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@@]2(OCCO)CCOC2)cn1 ZINC000628060688 483501486 /nfs/dbraw/zinc/50/14/86/483501486.db2.gz UVGOHUCGNGLQEX-AWEZNQCLSA-N -1 0 359.404 -0.649 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@]2(OCCO)CCOC2)cn1 ZINC000628060689 483501089 /nfs/dbraw/zinc/50/10/89/483501089.db2.gz UVGOHUCGNGLQEX-CQSZACIVSA-N -1 0 359.404 -0.649 20 0 FBADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)C(=O)NCCN1CC[C@H](O)C1 ZINC000628105601 661762740 /nfs/dbraw/zinc/76/27/40/661762740.db2.gz DWHXZGLDGSUZRM-LBPRGKRZSA-N -1 0 361.427 -0.252 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N(CCO)CCOCCO ZINC000628179618 483886923 /nfs/dbraw/zinc/88/69/23/483886923.db2.gz HOJALVQPOUTBMR-UHFFFAOYSA-N -1 0 360.432 -0.108 20 0 FBADRM Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)N(CCO)CCOCCO ZINC000628180253 483888033 /nfs/dbraw/zinc/88/80/33/483888033.db2.gz HSMWGQBWABAUQZ-UHFFFAOYSA-N -1 0 364.402 -0.005 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(CCO)CCOCCO ZINC000628180329 483887972 /nfs/dbraw/zinc/88/79/72/483887972.db2.gz KZBQKWRGJSRTGB-LLVKDONJSA-N -1 0 366.461 -0.755 20 0 FBADRM C[C@H](NS(=O)(=O)c1cccs1)C(=O)N(CCO)CCOCCO ZINC000628180330 483887932 /nfs/dbraw/zinc/88/79/32/483887932.db2.gz KZBQKWRGJSRTGB-NSHDSACASA-N -1 0 366.461 -0.755 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N(CCO)CCOCCO ZINC000628180505 483888022 /nfs/dbraw/zinc/88/80/22/483888022.db2.gz RUOPPPQAFBLBBO-UHFFFAOYSA-N -1 0 364.395 -0.359 20 0 FBADRM Cc1cc(C(=O)N2CCN(c3nccnn3)CC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000628379958 484559449 /nfs/dbraw/zinc/55/94/49/484559449.db2.gz WYFZRDNZACWYCM-UHFFFAOYSA-N -1 0 368.357 -0.108 20 0 FBADRM O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])N1C[C@H](O)[C@@H](O)C1 ZINC000628523359 485243413 /nfs/dbraw/zinc/24/34/13/485243413.db2.gz UXDRUFSICNFVDJ-KBPBESRZSA-N -1 0 356.400 -0.646 20 0 FBADRM CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000628576499 485353803 /nfs/dbraw/zinc/35/38/03/485353803.db2.gz STZFESLMGNWAAV-AWEZNQCLSA-N -1 0 357.436 -0.666 20 0 FBADRM CN1C2(CCC2)COC[C@]1(CO)CNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC000628576501 485353326 /nfs/dbraw/zinc/35/33/26/485353326.db2.gz STZFESLMGNWAAV-CQSZACIVSA-N -1 0 357.436 -0.666 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NC[C@@H](O)[C@@H]1CCCO1 ZINC000628591757 485357024 /nfs/dbraw/zinc/35/70/24/485357024.db2.gz PWTMJYWJKGGESO-NEPJUHHUSA-N -1 0 364.370 -0.101 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NC[C@H](O)[C@H]1CCCO1 ZINC000628591758 485356728 /nfs/dbraw/zinc/35/67/28/485356728.db2.gz PWTMJYWJKGGESO-NWDGAFQWSA-N -1 0 364.370 -0.101 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NC[C@H](O)[C@@H]1CCCO1 ZINC000628591759 485356758 /nfs/dbraw/zinc/35/67/58/485356758.db2.gz PWTMJYWJKGGESO-RYUDHWBXSA-N -1 0 364.370 -0.101 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NC[C@@H](O)[C@H]1CCCO1 ZINC000628591761 485357057 /nfs/dbraw/zinc/35/70/57/485357057.db2.gz PWTMJYWJKGGESO-VXGBXAGGSA-N -1 0 364.370 -0.101 20 0 FBADRM COCCOCCN(CCO)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000628596941 485358319 /nfs/dbraw/zinc/35/83/19/485358319.db2.gz FBTGUNHPYWVPGK-UHFFFAOYSA-N -1 0 366.374 -0.158 20 0 FBADRM NC(=O)[C@H]1C[C@H](NC(=O)c2cccc(C(=O)N[C@H]3C[C@H](C(N)=O)C3)c2[O-])C1 ZINC000628776491 483940173 /nfs/dbraw/zinc/94/01/73/483940173.db2.gz QQAOZZDRLBQKRS-OJEHDFPISA-N -1 0 374.397 -0.620 20 0 FBADRM Cc1ccc(-n2[n-]c(C(=O)N3CC(NS(C)(=O)=O)C3)cc2=O)cc1 ZINC000628798501 483946192 /nfs/dbraw/zinc/94/61/92/483946192.db2.gz AIPYGRMPCIOXNX-UHFFFAOYSA-N -1 0 350.400 -0.152 20 0 FBADRM COc1ccc(-n2cc([O-])c(C(=O)N3CC(NS(C)(=O)=O)C3)n2)cc1 ZINC000628799338 483946232 /nfs/dbraw/zinc/94/62/32/483946232.db2.gz QDLGYRNFOMCYIT-UHFFFAOYSA-N -1 0 366.399 -0.040 20 0 FBADRM Cc1cc(C(=O)N2CC(NS(C)(=O)=O)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000628799600 483948034 /nfs/dbraw/zinc/94/80/34/483948034.db2.gz CGMZNJFLQGQJKD-UHFFFAOYSA-N -1 0 353.360 -0.882 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CC(NS(C)(=O)=O)C1 ZINC000628800927 483949505 /nfs/dbraw/zinc/94/95/05/483949505.db2.gz MUPBXIWLWHYXBU-UHFFFAOYSA-N -1 0 365.408 -0.429 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CC(NS(C)(=O)=O)C1 ZINC000628802604 483945939 /nfs/dbraw/zinc/94/59/39/483945939.db2.gz SZDPPNOJRLEXNY-UHFFFAOYSA-N -1 0 361.445 -0.178 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[n-]n2c1nccc2=O ZINC000628809876 483954215 /nfs/dbraw/zinc/95/42/15/483954215.db2.gz MOHZZNPDASBMSG-GHMZBOCLSA-N -1 0 353.404 -0.387 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H]2COCCN2C)c1 ZINC000628914673 483996224 /nfs/dbraw/zinc/99/62/24/483996224.db2.gz LKETYJGKHONGME-LLVKDONJSA-N -1 0 357.432 -0.297 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H]2COCCN2C)c1 ZINC000628914674 483996259 /nfs/dbraw/zinc/99/62/59/483996259.db2.gz LKETYJGKHONGME-NSHDSACASA-N -1 0 357.432 -0.297 20 0 FBADRM CN1CCOC[C@@H]1CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000628925780 484001237 /nfs/dbraw/zinc/00/12/37/484001237.db2.gz MFKQGFZQXHOPFC-JTQLQIEISA-N -1 0 363.386 -0.310 20 0 FBADRM CN1CCOC[C@H]1CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000628925792 484000694 /nfs/dbraw/zinc/00/06/94/484000694.db2.gz MFKQGFZQXHOPFC-SNVBAGLBSA-N -1 0 363.386 -0.310 20 0 FBADRM CCN1CCN(CC(=O)N=c2nc(C3CCOCC3)[n-]s2)C(=O)C1=O ZINC000629100058 484077285 /nfs/dbraw/zinc/07/72/85/484077285.db2.gz KCNVSLOCBBRTFI-UHFFFAOYSA-N -1 0 367.431 -0.517 20 0 FBADRM Cn1c(=O)ccn(CC(=O)N=c2nc(C3CCOCC3)[n-]s2)c1=O ZINC000629100263 484077128 /nfs/dbraw/zinc/07/71/28/484077128.db2.gz MFJPDEMBPSXRQS-UHFFFAOYSA-N -1 0 351.388 -0.647 20 0 FBADRM O=C(CN1CCS(=O)(=O)CC1)N=c1nc(C2CCOCC2)[n-]s1 ZINC000629100889 484079207 /nfs/dbraw/zinc/07/92/07/484079207.db2.gz UAFYXNOHNKPRLZ-UHFFFAOYSA-N -1 0 360.461 -0.477 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N=c2nc(C3CCOCC3)[n-]s2)C1=O ZINC000629101238 484078285 /nfs/dbraw/zinc/07/82/85/484078285.db2.gz PNZKUUGINSAIRK-UHFFFAOYSA-N -1 0 353.360 -0.787 20 0 FBADRM CN(C)S(=O)(=O)N(C)CC(=O)N=c1nc(C2CCOCC2)[n-]s1 ZINC000629103485 484078347 /nfs/dbraw/zinc/07/83/47/484078347.db2.gz MZFBBBKVTAWXHZ-UHFFFAOYSA-N -1 0 363.465 -0.469 20 0 FBADRM CN(C)c1nc(N)nc(C(=O)N=c2nc(C3CCOCC3)[n-]s2)n1 ZINC000629103635 484498390 /nfs/dbraw/zinc/49/83/90/484498390.db2.gz PKAZZMGHBCTLCF-UHFFFAOYSA-N -1 0 350.408 -0.061 20 0 FBADRM NS(=O)(=O)NC1CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])CC1 ZINC000629187262 484095578 /nfs/dbraw/zinc/09/55/78/484095578.db2.gz UWTRIBGZIVSBCG-UHFFFAOYSA-N -1 0 365.415 -0.024 20 0 FBADRM NS(=O)(=O)NC1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CC1 ZINC000629189146 484096446 /nfs/dbraw/zinc/09/64/46/484096446.db2.gz FXKZOKPJOSRGSE-UHFFFAOYSA-N -1 0 367.387 -0.572 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)c1 ZINC000629205900 484101456 /nfs/dbraw/zinc/10/14/56/484101456.db2.gz AWFPBXFQAAYGRE-AOOOYVTPSA-N -1 0 355.416 -0.022 20 0 FBADRM CN(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629216665 484106322 /nfs/dbraw/zinc/10/63/22/484106322.db2.gz XNJYHSBWFXMGJT-DTORHVGOSA-N -1 0 361.370 -0.035 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000629284116 484126246 /nfs/dbraw/zinc/12/62/46/484126246.db2.gz CGVBCPHDXNLZEB-UHFFFAOYSA-N -1 0 367.383 -0.999 20 0 FBADRM COc1ccc([N-]S(=O)(=O)c2cnnn2C)cc1NS(C)(=O)=O ZINC000629286382 484129478 /nfs/dbraw/zinc/12/94/78/484129478.db2.gz NIMDCUAOYAQQMD-UHFFFAOYSA-N -1 0 361.405 -0.004 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)cc1C(N)=O ZINC000629286566 484127538 /nfs/dbraw/zinc/12/75/38/484127538.db2.gz VILVMKHSYKSMNK-UHFFFAOYSA-N -1 0 366.403 -0.449 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]c1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000629287880 484127885 /nfs/dbraw/zinc/12/78/85/484127885.db2.gz BAGDXQGZSDEGPY-UHFFFAOYSA-N -1 0 371.444 -0.149 20 0 FBADRM COc1ccc([N-]S(=O)(=O)c2cnnn2C)cc1-n1nnnc1C ZINC000629288557 484129048 /nfs/dbraw/zinc/12/90/48/484129048.db2.gz SEIUYYKRRCNUNT-UHFFFAOYSA-N -1 0 350.364 -0.091 20 0 FBADRM Cc1ncc(S(=O)(=O)[N-]c2cnn(CC(=O)N3CCOCC3)c2)n1C ZINC000629288909 484128952 /nfs/dbraw/zinc/12/89/52/484128952.db2.gz GFCDFVFGLJLXCK-UHFFFAOYSA-N -1 0 368.419 -0.415 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]c1cnn(CC(=O)NC2CCCC2)c1 ZINC000629289523 484128593 /nfs/dbraw/zinc/12/85/93/484128593.db2.gz RAJNOHVJNLTXGT-UHFFFAOYSA-N -1 0 353.408 -0.129 20 0 FBADRM COCCNC(=O)Cn1cc([N-]S(=O)(=O)c2cnc(C)n2C)cn1 ZINC000629289586 484128935 /nfs/dbraw/zinc/12/89/35/484128935.db2.gz ITRRFTHQIVXHEB-UHFFFAOYSA-N -1 0 356.408 -0.512 20 0 FBADRM CNC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1cnnn1C ZINC000629290098 484129234 /nfs/dbraw/zinc/12/92/34/484129234.db2.gz DENCCMWDRZPKAG-UHFFFAOYSA-N -1 0 355.376 -0.007 20 0 FBADRM Cc1ncc(S(=O)(=O)[N-]c2ccn(CC(=O)N3CCOCC3)n2)n1C ZINC000629290713 661766771 /nfs/dbraw/zinc/76/67/71/661766771.db2.gz VQEUBNZJSXUUOA-UHFFFAOYSA-N -1 0 368.419 -0.415 20 0 FBADRM CCOC1(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)CCOCC1 ZINC000629293102 484130338 /nfs/dbraw/zinc/13/03/38/484130338.db2.gz GCLCEDNHGFHBPV-NEPJUHHUSA-N -1 0 351.421 -0.019 20 0 FBADRM CCOC1(CS(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)CCOCC1 ZINC000629293103 484130671 /nfs/dbraw/zinc/13/06/71/484130671.db2.gz GCLCEDNHGFHBPV-NWDGAFQWSA-N -1 0 351.421 -0.019 20 0 FBADRM CCOC1(CS(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)CCOCC1 ZINC000629293104 484131345 /nfs/dbraw/zinc/13/13/45/484131345.db2.gz GCLCEDNHGFHBPV-RYUDHWBXSA-N -1 0 351.421 -0.019 20 0 FBADRM CCOC1(CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)CCOCC1 ZINC000629293105 484130507 /nfs/dbraw/zinc/13/05/07/484130507.db2.gz GCLCEDNHGFHBPV-VXGBXAGGSA-N -1 0 351.421 -0.019 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]c1cccc2c1CCN2S(C)(=O)=O ZINC000629293944 484131167 /nfs/dbraw/zinc/13/11/67/484131167.db2.gz QSEQDOAQBFMPJE-UHFFFAOYSA-N -1 0 357.417 -0.062 20 0 FBADRM O=C([O-])COCCNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000629294807 484131305 /nfs/dbraw/zinc/13/13/05/484131305.db2.gz CGQYOIMCQLZXMF-UHFFFAOYSA-N -1 0 354.384 -0.099 20 0 FBADRM CN(C)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2cnnn2C)c1N ZINC000629297600 484130294 /nfs/dbraw/zinc/13/02/94/484130294.db2.gz STJCRTYPTNDYIO-UHFFFAOYSA-N -1 0 360.421 -0.552 20 0 FBADRM O=C([O-])CCN(CCO)S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000629298450 484132846 /nfs/dbraw/zinc/13/28/46/484132846.db2.gz BABCNEYWZJLXAA-UHFFFAOYSA-N -1 0 368.411 -0.020 20 0 FBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000629299152 484132033 /nfs/dbraw/zinc/13/20/33/484132033.db2.gz MYRWPEDKRVDXEY-CYBMUJFWSA-N -1 0 366.395 -0.004 20 0 FBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000629299155 484131991 /nfs/dbraw/zinc/13/19/91/484131991.db2.gz MYRWPEDKRVDXEY-ZDUSSCGKSA-N -1 0 366.395 -0.004 20 0 FBADRM CCOC1(CS(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])CCOCC1 ZINC000629300250 484134164 /nfs/dbraw/zinc/13/41/64/484134164.db2.gz HHTHXBHJOUITOE-CYBMUJFWSA-N -1 0 353.437 -0.035 20 0 FBADRM CCOC1(CS(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])CCOCC1 ZINC000629300251 484133893 /nfs/dbraw/zinc/13/38/93/484133893.db2.gz HHTHXBHJOUITOE-ZDUSSCGKSA-N -1 0 353.437 -0.035 20 0 FBADRM COc1ccc(NS(C)(=O)=O)cc1[N-]S(=O)(=O)c1cnnn1C ZINC000629300579 484134622 /nfs/dbraw/zinc/13/46/22/484134622.db2.gz MWBGQRUMIPLXOK-UHFFFAOYSA-N -1 0 361.405 -0.004 20 0 FBADRM CCOC1(CS(=O)(=O)NCCn2cc(C(=O)[O-])nn2)CCOCC1 ZINC000629301287 484132074 /nfs/dbraw/zinc/13/20/74/484132074.db2.gz FKMIRYNTDZQURB-UHFFFAOYSA-N -1 0 362.408 -0.519 20 0 FBADRM Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000629301545 484132201 /nfs/dbraw/zinc/13/22/01/484132201.db2.gz KXBSWFUVGVHLDD-UHFFFAOYSA-N -1 0 358.298 -0.692 20 0 FBADRM CCOC1(CS(=O)(=O)NCCC(=O)NCC(=O)[O-])CCOCC1 ZINC000629301887 484132872 /nfs/dbraw/zinc/13/28/72/484132872.db2.gz RKZZIBVPEJWULU-UHFFFAOYSA-N -1 0 352.409 -0.918 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])CO1 ZINC000629302285 484133662 /nfs/dbraw/zinc/13/36/62/484133662.db2.gz ARHVTFQPZAJVHK-NXEZZACHSA-N -1 0 355.434 -0.543 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])CO1 ZINC000629302286 484133978 /nfs/dbraw/zinc/13/39/78/484133978.db2.gz ARHVTFQPZAJVHK-UWVGGRQHSA-N -1 0 355.434 -0.543 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])CO1 ZINC000629302287 484133599 /nfs/dbraw/zinc/13/35/99/484133599.db2.gz ARHVTFQPZAJVHK-VHSXEESVSA-N -1 0 355.434 -0.543 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])CO1 ZINC000629302288 484133439 /nfs/dbraw/zinc/13/34/39/484133439.db2.gz ARHVTFQPZAJVHK-ZJUUUORDSA-N -1 0 355.434 -0.543 20 0 FBADRM O=C([O-])[C@H]1CC(F)(F)CN1S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000629304004 484134070 /nfs/dbraw/zinc/13/40/70/484134070.db2.gz IVUCVVITISIJID-DTWKUNHWSA-N -1 0 361.388 -0.065 20 0 FBADRM O=C([O-])[C@H]1CC(F)(F)CN1S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000629304005 484134333 /nfs/dbraw/zinc/13/43/33/484134333.db2.gz IVUCVVITISIJID-RKDXNWHRSA-N -1 0 361.388 -0.065 20 0 FBADRM Cc1ncc(S(=O)(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)n1C ZINC000629304019 484134078 /nfs/dbraw/zinc/13/40/78/484134078.db2.gz KBUCWPVNICYPQX-LLVKDONJSA-N -1 0 370.431 -0.185 20 0 FBADRM Cc1ncc(S(=O)(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)n1C ZINC000629304021 484134240 /nfs/dbraw/zinc/13/42/40/484134240.db2.gz KBUCWPVNICYPQX-NSHDSACASA-N -1 0 370.431 -0.185 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])cn1 ZINC000629304318 484133727 /nfs/dbraw/zinc/13/37/27/484133727.db2.gz LHIJLTBJMDVNAY-MRVPVSSYSA-N -1 0 370.355 -0.032 20 0 FBADRM CCO[C@H](CS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])C1CC1 ZINC000629304807 484134135 /nfs/dbraw/zinc/13/41/35/484134135.db2.gz MHZDJTINNQLVRP-GHMZBOCLSA-N -1 0 355.434 -0.685 20 0 FBADRM CCO[C@@H](CS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])C1CC1 ZINC000629304808 484134518 /nfs/dbraw/zinc/13/45/18/484134518.db2.gz MHZDJTINNQLVRP-MNOVXSKESA-N -1 0 355.434 -0.685 20 0 FBADRM CCO[C@@H](CS(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])C1CC1 ZINC000629304809 484133918 /nfs/dbraw/zinc/13/39/18/484133918.db2.gz MHZDJTINNQLVRP-QWRGUYRKSA-N -1 0 355.434 -0.685 20 0 FBADRM CCO[C@H](CS(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])C1CC1 ZINC000629304810 484133625 /nfs/dbraw/zinc/13/36/25/484133625.db2.gz MHZDJTINNQLVRP-WDEREUQCSA-N -1 0 355.434 -0.685 20 0 FBADRM CCO[C@@H](CS(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-])C1CC1 ZINC000629305742 484134404 /nfs/dbraw/zinc/13/44/04/484134404.db2.gz QGASNWHDCJFSIS-NEPJUHHUSA-N -1 0 369.461 -0.295 20 0 FBADRM CCO[C@H](CS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-])C1CC1 ZINC000629305753 484134175 /nfs/dbraw/zinc/13/41/75/484134175.db2.gz QGASNWHDCJFSIS-NWDGAFQWSA-N -1 0 369.461 -0.295 20 0 FBADRM CCO[C@@H](CS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-])C1CC1 ZINC000629305754 484134262 /nfs/dbraw/zinc/13/42/62/484134262.db2.gz QGASNWHDCJFSIS-RYUDHWBXSA-N -1 0 369.461 -0.295 20 0 FBADRM CCO[C@H](CS(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-])C1CC1 ZINC000629305755 484134615 /nfs/dbraw/zinc/13/46/15/484134615.db2.gz QGASNWHDCJFSIS-VXGBXAGGSA-N -1 0 369.461 -0.295 20 0 FBADRM Cc1ncc(S(=O)(=O)N2CC[C@@H](N3C[C@H](C(=O)[O-])CC3=O)C2)n1C ZINC000629306416 484134510 /nfs/dbraw/zinc/13/45/10/484134510.db2.gz XHMMVNZISXWOCO-GHMZBOCLSA-N -1 0 356.404 -0.575 20 0 FBADRM Cc1ncc(S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)[O-])CC3=O)C2)n1C ZINC000629306417 484135819 /nfs/dbraw/zinc/13/58/19/484135819.db2.gz XHMMVNZISXWOCO-MNOVXSKESA-N -1 0 356.404 -0.575 20 0 FBADRM Cc1ncc(S(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)n1C ZINC000629306418 484135534 /nfs/dbraw/zinc/13/55/34/484135534.db2.gz XHMMVNZISXWOCO-QWRGUYRKSA-N -1 0 356.404 -0.575 20 0 FBADRM Cc1ncc(S(=O)(=O)N2CC[C@@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)n1C ZINC000629306419 484135237 /nfs/dbraw/zinc/13/52/37/484135237.db2.gz XHMMVNZISXWOCO-WDEREUQCSA-N -1 0 356.404 -0.575 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC000629306911 484136061 /nfs/dbraw/zinc/13/60/61/484136061.db2.gz OIEWOWYGKICOKR-SSDOTTSWSA-N -1 0 350.365 -0.950 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])c1 ZINC000629307067 484136084 /nfs/dbraw/zinc/13/60/84/484136084.db2.gz QGHMMDQZRKYSQB-SECBINFHSA-N -1 0 370.355 -0.183 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])cn1C ZINC000629307269 484135484 /nfs/dbraw/zinc/13/54/84/484135484.db2.gz UGHSCJSLMYNUNA-SECBINFHSA-N -1 0 351.331 -0.132 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])cc1 ZINC000629307416 484135884 /nfs/dbraw/zinc/13/58/84/484135884.db2.gz WYEXOZISTPOQFW-SECBINFHSA-N -1 0 370.355 -0.183 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2C[C@@H](OC)C[C@]2(C)C(=O)[O-])cn1C ZINC000629307996 484134599 /nfs/dbraw/zinc/13/45/99/484134599.db2.gz GZXPKMRXAMKAKR-LKFCYVNXSA-N -1 0 359.404 -0.363 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2C[C@H](OC)C[C@@]2(C)C(=O)[O-])cn1C ZINC000629307997 484134424 /nfs/dbraw/zinc/13/44/24/484134424.db2.gz GZXPKMRXAMKAKR-OTYXRUKQSA-N -1 0 359.404 -0.363 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2C[C@@H](OC)C[C@@]2(C)C(=O)[O-])cn1C ZINC000629307998 484136043 /nfs/dbraw/zinc/13/60/43/484136043.db2.gz GZXPKMRXAMKAKR-XPTSAGLGSA-N -1 0 359.404 -0.363 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2C[C@H](OC)C[C@]2(C)C(=O)[O-])cn1C ZINC000629307999 484135049 /nfs/dbraw/zinc/13/50/49/484135049.db2.gz GZXPKMRXAMKAKR-YMTOWFKASA-N -1 0 359.404 -0.363 20 0 FBADRM CO[C@H]1CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)[C@@](C)(C(=O)[O-])C1 ZINC000629308040 484135284 /nfs/dbraw/zinc/13/52/84/484135284.db2.gz HMXQKDAOLTXCJW-BXUZGUMPSA-N -1 0 367.387 -0.085 20 0 FBADRM CO[C@@H]1CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)[C@](C)(C(=O)[O-])C1 ZINC000629308041 484135013 /nfs/dbraw/zinc/13/50/13/484135013.db2.gz HMXQKDAOLTXCJW-FZMZJTMJSA-N -1 0 367.387 -0.085 20 0 FBADRM CO[C@H]1CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)[C@](C)(C(=O)[O-])C1 ZINC000629308042 484136139 /nfs/dbraw/zinc/13/61/39/484136139.db2.gz HMXQKDAOLTXCJW-RISCZKNCSA-N -1 0 367.387 -0.085 20 0 FBADRM CO[C@@H]1CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)[C@@](C)(C(=O)[O-])C1 ZINC000629308043 484135378 /nfs/dbraw/zinc/13/53/78/484135378.db2.gz HMXQKDAOLTXCJW-SMDDNHRTSA-N -1 0 367.387 -0.085 20 0 FBADRM O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000629308739 484135810 /nfs/dbraw/zinc/13/58/10/484135810.db2.gz IVUCVVITISIJID-BDAKNGLRSA-N -1 0 361.388 -0.065 20 0 FBADRM O=C([O-])[C@@H]1CC(F)(F)CN1S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000629308740 484135830 /nfs/dbraw/zinc/13/58/30/484135830.db2.gz IVUCVVITISIJID-IUCAKERBSA-N -1 0 361.388 -0.065 20 0 FBADRM CO[C@@H]1CN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)[C@@](C)(C(=O)[O-])C1 ZINC000629308958 484135123 /nfs/dbraw/zinc/13/51/23/484135123.db2.gz YYNIAKFCEDEVLM-GMXVVIOVSA-N -1 0 369.461 -0.295 20 0 FBADRM CO[C@@H]1CN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)[C@](C)(C(=O)[O-])C1 ZINC000629308959 484135909 /nfs/dbraw/zinc/13/59/09/484135909.db2.gz YYNIAKFCEDEVLM-GVXVVHGQSA-N -1 0 369.461 -0.295 20 0 FBADRM CO[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)[C@](C)(C(=O)[O-])C1 ZINC000629308960 484135153 /nfs/dbraw/zinc/13/51/53/484135153.db2.gz YYNIAKFCEDEVLM-MDZLAQPJSA-N -1 0 369.461 -0.295 20 0 FBADRM CO[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)[C@@](C)(C(=O)[O-])C1 ZINC000629308961 484135802 /nfs/dbraw/zinc/13/58/02/484135802.db2.gz YYNIAKFCEDEVLM-NTZNESFSSA-N -1 0 369.461 -0.295 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCc2occc2[C@@H]1C(=O)[O-] ZINC000629308962 484135355 /nfs/dbraw/zinc/13/53/55/484135355.db2.gz ZITQHOGWQHYLED-LLVKDONJSA-N -1 0 366.417 -0.468 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCc2occc2[C@H]1C(=O)[O-] ZINC000629308964 484135750 /nfs/dbraw/zinc/13/57/50/484135750.db2.gz ZITQHOGWQHYLED-NSHDSACASA-N -1 0 366.417 -0.468 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])c1 ZINC000629309005 484135197 /nfs/dbraw/zinc/13/51/97/484135197.db2.gz QGHMMDQZRKYSQB-VIFPVBQESA-N -1 0 370.355 -0.183 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])cn1 ZINC000629309075 484135743 /nfs/dbraw/zinc/13/57/43/484135743.db2.gz LHIJLTBJMDVNAY-QMMMGPOBSA-N -1 0 370.355 -0.032 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-] ZINC000629309143 484135853 /nfs/dbraw/zinc/13/58/53/484135853.db2.gz OIEWOWYGKICOKR-ZETCQYMHSA-N -1 0 350.365 -0.950 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])cn1C ZINC000629309349 484135709 /nfs/dbraw/zinc/13/57/09/484135709.db2.gz UGHSCJSLMYNUNA-VIFPVBQESA-N -1 0 351.331 -0.132 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])cc1 ZINC000629309557 484136016 /nfs/dbraw/zinc/13/60/16/484136016.db2.gz WYEXOZISTPOQFW-VIFPVBQESA-N -1 0 370.355 -0.183 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C)c1nc(C(=O)[O-])cs1 ZINC000629309809 484135085 /nfs/dbraw/zinc/13/50/85/484135085.db2.gz OANQRBNTUYMQSM-ZETCQYMHSA-N -1 0 371.462 -0.239 20 0 FBADRM CO[C@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)[C@](C)(C(=O)[O-])C1 ZINC000629310222 484137111 /nfs/dbraw/zinc/13/71/11/484137111.db2.gz POLQKGVACHLXNZ-BMIGLBTASA-N -1 0 373.431 -0.020 20 0 FBADRM CO[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)[C@](C)(C(=O)[O-])C1 ZINC000629310223 484136910 /nfs/dbraw/zinc/13/69/10/484136910.db2.gz POLQKGVACHLXNZ-BONVTDFDSA-N -1 0 373.431 -0.020 20 0 FBADRM CO[C@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)[C@@](C)(C(=O)[O-])C1 ZINC000629310224 484137265 /nfs/dbraw/zinc/13/72/65/484137265.db2.gz POLQKGVACHLXNZ-MEBBXXQBSA-N -1 0 373.431 -0.020 20 0 FBADRM CO[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)[C@@](C)(C(=O)[O-])C1 ZINC000629310225 484137080 /nfs/dbraw/zinc/13/70/80/484137080.db2.gz POLQKGVACHLXNZ-ZUZCIYMTSA-N -1 0 373.431 -0.020 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000629310494 484135021 /nfs/dbraw/zinc/13/50/21/484135021.db2.gz SWKLTSGVBGZMGP-AAEUAGOBSA-N -1 0 354.425 -0.610 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC000629310495 484135981 /nfs/dbraw/zinc/13/59/81/484135981.db2.gz SWKLTSGVBGZMGP-DGCLKSJQSA-N -1 0 354.425 -0.610 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC000629310496 484136147 /nfs/dbraw/zinc/13/61/47/484136147.db2.gz SWKLTSGVBGZMGP-WCQYABFASA-N -1 0 354.425 -0.610 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000629310497 484135871 /nfs/dbraw/zinc/13/58/71/484135871.db2.gz SWKLTSGVBGZMGP-YPMHNXCESA-N -1 0 354.425 -0.610 20 0 FBADRM CO[C@H]1CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)[C@@](C)(C(=O)[O-])C1 ZINC000629310838 484135784 /nfs/dbraw/zinc/13/57/84/484135784.db2.gz XTSMQGKVKLMVRA-BXUZGUMPSA-N -1 0 367.387 -0.085 20 0 FBADRM CO[C@@H]1CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)[C@](C)(C(=O)[O-])C1 ZINC000629310839 484135229 /nfs/dbraw/zinc/13/52/29/484135229.db2.gz XTSMQGKVKLMVRA-FZMZJTMJSA-N -1 0 367.387 -0.085 20 0 FBADRM CO[C@H]1CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)[C@](C)(C(=O)[O-])C1 ZINC000629310840 484135996 /nfs/dbraw/zinc/13/59/96/484135996.db2.gz XTSMQGKVKLMVRA-RISCZKNCSA-N -1 0 367.387 -0.085 20 0 FBADRM CO[C@@H]1CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)[C@@](C)(C(=O)[O-])C1 ZINC000629310841 484135072 /nfs/dbraw/zinc/13/50/72/484135072.db2.gz XTSMQGKVKLMVRA-SMDDNHRTSA-N -1 0 367.387 -0.085 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000629314305 484135669 /nfs/dbraw/zinc/13/56/69/484135669.db2.gz MLHUEYQUEIKDLE-WDEREUQCSA-N -1 0 356.466 -0.121 20 0 FBADRM O=C([O-])c1cnc(CNS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)nc1 ZINC000629314517 484137234 /nfs/dbraw/zinc/13/72/34/484137234.db2.gz VSGYLHZIVDYAPU-UHFFFAOYSA-N -1 0 368.415 -0.005 20 0 FBADRM Cc1oc(S(=O)(=O)N2CCN(c3nccnn3)CC2)cc1C(=O)[O-] ZINC000629333830 484141003 /nfs/dbraw/zinc/14/10/03/484141003.db2.gz CJURPEUSUZKRKL-UHFFFAOYSA-N -1 0 353.360 -0.018 20 0 FBADRM Cc1ncc(S(=O)(=O)N2CCN(c3nccnn3)CC2)cc1C(=O)[O-] ZINC000629334018 484140935 /nfs/dbraw/zinc/14/09/35/484140935.db2.gz HCFBIJIACCXHNK-UHFFFAOYSA-N -1 0 364.387 -0.216 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN(c3nccnn3)CC2)cn1 ZINC000629334052 484140584 /nfs/dbraw/zinc/14/05/84/484140584.db2.gz IYQPMHPYLIRIDR-UHFFFAOYSA-N -1 0 350.360 -0.524 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(c2nccnn2)CC1 ZINC000629334101 484140726 /nfs/dbraw/zinc/14/07/26/484140726.db2.gz KGAKTXMEARJCIS-UHFFFAOYSA-N -1 0 353.360 -0.018 20 0 FBADRM Cc1cc(S(=O)(=O)N2CCN(c3nccnn3)CC2)oc1C(=O)[O-] ZINC000629334116 484140991 /nfs/dbraw/zinc/14/09/91/484140991.db2.gz KWVVPHRNRAERHL-UHFFFAOYSA-N -1 0 353.360 -0.018 20 0 FBADRM O=C([O-])c1cncc(S(=O)(=O)N2CCN(c3nccnn3)CC2)c1 ZINC000629334230 484140659 /nfs/dbraw/zinc/14/06/59/484140659.db2.gz LQZWZKNRGVQPEM-UHFFFAOYSA-N -1 0 350.360 -0.524 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC000629334404 484140649 /nfs/dbraw/zinc/14/06/49/484140649.db2.gz MXZYWWCCLNGOEQ-UHFFFAOYSA-N -1 0 364.445 -0.328 20 0 FBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CCN(c3nccnn3)CC2)C1 ZINC000629334451 484140856 /nfs/dbraw/zinc/14/08/56/484140856.db2.gz QXCXSMPOCGOWAN-LLVKDONJSA-N -1 0 356.408 -0.965 20 0 FBADRM O=C([O-])[C@H]1CCCN(S(=O)(=O)N2CCN(c3nccnn3)CC2)C1 ZINC000629334452 484141021 /nfs/dbraw/zinc/14/10/21/484141021.db2.gz QXCXSMPOCGOWAN-NSHDSACASA-N -1 0 356.408 -0.965 20 0 FBADRM O=C([O-])c1nscc1S(=O)(=O)N1CCN(c2nccnn2)CC1 ZINC000629334590 484140119 /nfs/dbraw/zinc/14/01/19/484140119.db2.gz SVUZITMSKGMLOK-UHFFFAOYSA-N -1 0 356.389 -0.463 20 0 FBADRM O=C([O-])c1ncccc1S(=O)(=O)N1CCN(c2nccnn2)CC1 ZINC000629334684 484140036 /nfs/dbraw/zinc/14/00/36/484140036.db2.gz VVTQJXUITNIRNF-UHFFFAOYSA-N -1 0 350.360 -0.524 20 0 FBADRM O=C([O-])c1ncsc1S(=O)(=O)N1CCN(c2nccnn2)CC1 ZINC000629334829 484139422 /nfs/dbraw/zinc/13/94/22/484139422.db2.gz ZYGQLNKVIJODDV-UHFFFAOYSA-N -1 0 356.389 -0.463 20 0 FBADRM CNS(=O)(=O)CCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000629335918 484141994 /nfs/dbraw/zinc/14/19/94/484141994.db2.gz CVPNNQCXFHMWMP-UHFFFAOYSA-N -1 0 350.422 -0.878 20 0 FBADRM COCCOCCOCCS(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000629337103 484140994 /nfs/dbraw/zinc/14/09/94/484140994.db2.gz JIFHSUJDRZAXFS-NEPJUHHUSA-N -1 0 355.409 -0.830 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)[O-])cn1C ZINC000629338241 484142268 /nfs/dbraw/zinc/14/22/68/484142268.db2.gz LBBIWVOKDADKFR-CMPLNLGQSA-N -1 0 373.431 -0.067 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])cn1C ZINC000629338242 484141483 /nfs/dbraw/zinc/14/14/83/484141483.db2.gz LBBIWVOKDADKFR-JQWIXIFHSA-N -1 0 373.431 -0.067 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)[O-])cn1C ZINC000629338243 484142067 /nfs/dbraw/zinc/14/20/67/484142067.db2.gz LBBIWVOKDADKFR-PWSUYJOCSA-N -1 0 373.431 -0.067 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](C[C@H]2CCCOC2)C(=O)[O-])cn1C ZINC000629338244 484142085 /nfs/dbraw/zinc/14/20/85/484142085.db2.gz LBBIWVOKDADKFR-ZYHUDNBSSA-N -1 0 373.431 -0.067 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000629339507 484142239 /nfs/dbraw/zinc/14/22/39/484142239.db2.gz SULBQRVBJUBNSY-CHWSQXEVSA-N -1 0 368.452 -0.315 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000629339512 484142440 /nfs/dbraw/zinc/14/24/40/484142440.db2.gz SULBQRVBJUBNSY-OLZOCXBDSA-N -1 0 368.452 -0.315 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000629339513 484141782 /nfs/dbraw/zinc/14/17/82/484141782.db2.gz SULBQRVBJUBNSY-QWHCGFSZSA-N -1 0 368.452 -0.315 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000629339514 484141801 /nfs/dbraw/zinc/14/18/01/484141801.db2.gz SULBQRVBJUBNSY-STQMWFEESA-N -1 0 368.452 -0.315 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000629340100 484144011 /nfs/dbraw/zinc/14/40/11/484144011.db2.gz YGJIECJXYCWBKX-GHMZBOCLSA-N -1 0 357.450 -0.390 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000629340102 484143966 /nfs/dbraw/zinc/14/39/66/484143966.db2.gz YGJIECJXYCWBKX-MNOVXSKESA-N -1 0 357.450 -0.390 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000629340103 484143465 /nfs/dbraw/zinc/14/34/65/484143465.db2.gz YGJIECJXYCWBKX-QWRGUYRKSA-N -1 0 357.450 -0.390 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000629340104 484143945 /nfs/dbraw/zinc/14/39/45/484143945.db2.gz YGJIECJXYCWBKX-WDEREUQCSA-N -1 0 357.450 -0.390 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000629341280 484144568 /nfs/dbraw/zinc/14/45/68/484144568.db2.gz WMLLMRHTCXDLDW-GHMZBOCLSA-N -1 0 372.465 -0.885 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000629341281 484144601 /nfs/dbraw/zinc/14/46/01/484144601.db2.gz WMLLMRHTCXDLDW-MNOVXSKESA-N -1 0 372.465 -0.885 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000629341282 484144883 /nfs/dbraw/zinc/14/48/83/484144883.db2.gz WMLLMRHTCXDLDW-QWRGUYRKSA-N -1 0 372.465 -0.885 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000629341283 484145357 /nfs/dbraw/zinc/14/53/57/484145357.db2.gz WMLLMRHTCXDLDW-WDEREUQCSA-N -1 0 372.465 -0.885 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000629341710 484145134 /nfs/dbraw/zinc/14/51/34/484145134.db2.gz HDAURUUNJMCWTL-GRYCIOLGSA-N -1 0 368.477 -0.169 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000629341711 484145076 /nfs/dbraw/zinc/14/50/76/484145076.db2.gz HDAURUUNJMCWTL-SDDRHHMPSA-N -1 0 368.477 -0.169 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000629341712 484144929 /nfs/dbraw/zinc/14/49/29/484144929.db2.gz HDAURUUNJMCWTL-SRVKXCTJSA-N -1 0 368.477 -0.169 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000629341713 484145232 /nfs/dbraw/zinc/14/52/32/484145232.db2.gz HDAURUUNJMCWTL-WOPDTQHZSA-N -1 0 368.477 -0.169 20 0 FBADRM CNS(=O)(=O)CCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000629343292 484145237 /nfs/dbraw/zinc/14/52/37/484145237.db2.gz FLYWIEXNOCZUAX-UHFFFAOYSA-N -1 0 355.376 -0.586 20 0 FBADRM CNS(=O)(=O)CCCNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000629347418 484145957 /nfs/dbraw/zinc/14/59/57/484145957.db2.gz WXJMCFRDQFEBJM-UHFFFAOYSA-N -1 0 367.424 -0.134 20 0 FBADRM Cc1ncc(S(=O)(=O)[N-]c2ccc(N3CCNC(=O)C3)nc2)n1C ZINC000629348421 484147399 /nfs/dbraw/zinc/14/73/99/484147399.db2.gz VYMYJLJHNQQKRR-UHFFFAOYSA-N -1 0 350.404 -0.139 20 0 FBADRM Cc1ncc(S(=O)(=O)[N-]c2cnc3c(c2)c(=O)n(C)c(=O)n3C)n1C ZINC000629349439 484148601 /nfs/dbraw/zinc/14/86/01/484148601.db2.gz IXHZVEAPZRJSNL-UHFFFAOYSA-N -1 0 364.387 -0.525 20 0 FBADRM CNS(=O)(=O)c1ccc(OC)cc1[N-]S(=O)(=O)c1cnnn1C ZINC000629350224 484150200 /nfs/dbraw/zinc/15/02/00/484150200.db2.gz KBNYHGZLFDIZOJ-UHFFFAOYSA-N -1 0 361.405 -0.467 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]c1cccc(CN2CCNC(=O)C2)c1 ZINC000629350849 484150473 /nfs/dbraw/zinc/15/04/73/484150473.db2.gz IWVJVHYYJNSCCZ-UHFFFAOYSA-N -1 0 350.404 -0.452 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]c1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000629351182 484150313 /nfs/dbraw/zinc/15/03/13/484150313.db2.gz GXHJBXGRAGUISG-UHFFFAOYSA-N -1 0 372.432 -0.205 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]c1ccc2c(c1)CN(CC(N)=O)CC2 ZINC000629351393 484149656 /nfs/dbraw/zinc/14/96/56/484149656.db2.gz PTOKKAIAANKPTC-UHFFFAOYSA-N -1 0 350.404 -0.541 20 0 FBADRM Cc1nn(C)c(N2CCC2)c1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000629352841 484148809 /nfs/dbraw/zinc/14/88/09/484148809.db2.gz DVRBDYQJRHTCGV-UHFFFAOYSA-N -1 0 368.419 -0.863 20 0 FBADRM NS(=O)(=O)c1ccc(N2CCN(c3nccnn3)CC2)c(C(=O)[O-])c1 ZINC000629382062 484168323 /nfs/dbraw/zinc/16/83/23/484168323.db2.gz TVYOAFKEKDXASK-UHFFFAOYSA-N -1 0 364.387 -0.456 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCO[C@@H](CC(N)=O)C2)c1 ZINC000629394089 484172394 /nfs/dbraw/zinc/17/23/94/484172394.db2.gz GJJJGHADLKEXDB-JTQLQIEISA-N -1 0 371.415 -0.641 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCO[C@H](CC(N)=O)C2)c1 ZINC000629394090 484173302 /nfs/dbraw/zinc/17/33/02/484173302.db2.gz GJJJGHADLKEXDB-SNVBAGLBSA-N -1 0 371.415 -0.641 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000629403113 484176282 /nfs/dbraw/zinc/17/62/82/484176282.db2.gz SFBYGXRWQHUNIA-JTQLQIEISA-N -1 0 359.379 -0.086 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000629403114 484176275 /nfs/dbraw/zinc/17/62/75/484176275.db2.gz SFBYGXRWQHUNIA-SNVBAGLBSA-N -1 0 359.379 -0.086 20 0 FBADRM CCCN(CC(F)(F)F)C(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000629490700 484233504 /nfs/dbraw/zinc/23/35/04/484233504.db2.gz XRYKHIBYOHFLOB-SECBINFHSA-N -1 0 360.354 -0.029 20 0 FBADRM CCCN(CC(F)(F)F)C(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000629490701 484234124 /nfs/dbraw/zinc/23/41/24/484234124.db2.gz XRYKHIBYOHFLOB-VIFPVBQESA-N -1 0 360.354 -0.029 20 0 FBADRM COCCN(C(=O)CN1CCC[C@@]1(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000629492381 661766950 /nfs/dbraw/zinc/76/69/50/661766950.db2.gz FZPCPQKMQGRUCW-DOMZBBRYSA-N -1 0 362.448 -0.412 20 0 FBADRM COCCN(C(=O)CN1CCC[C@]1(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000629492382 661766977 /nfs/dbraw/zinc/76/69/77/661766977.db2.gz FZPCPQKMQGRUCW-IUODEOHRSA-N -1 0 362.448 -0.412 20 0 FBADRM COCCN(C(=O)CN1CCC[C@]1(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000629492383 660001485 /nfs/dbraw/zinc/00/14/85/660001485.db2.gz FZPCPQKMQGRUCW-SWLSCSKDSA-N -1 0 362.448 -0.412 20 0 FBADRM COCCN(C(=O)CN1CCC[C@@]1(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000629492508 661766921 /nfs/dbraw/zinc/76/69/21/661766921.db2.gz FZPCPQKMQGRUCW-WFASDCNBSA-N -1 0 362.448 -0.412 20 0 FBADRM CN(C)S(=O)(=O)N1CC(NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000629526202 484256244 /nfs/dbraw/zinc/25/62/44/484256244.db2.gz NASVGWCSVLWRSX-UHFFFAOYSA-N -1 0 367.387 -0.750 20 0 FBADRM CN(C)S(=O)(=O)N1CC(NC(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000629527640 484261962 /nfs/dbraw/zinc/26/19/62/484261962.db2.gz AUFPJLIIJLZRIY-UHFFFAOYSA-N -1 0 365.415 -0.202 20 0 FBADRM CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1s[n-]c(=O)c1Cl ZINC000629566838 484383198 /nfs/dbraw/zinc/38/31/98/484383198.db2.gz ACTAASZQBSGKHR-LURJTMIESA-N -1 0 355.825 -0.108 20 0 FBADRM CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1s[n-]c(=O)c1Cl ZINC000629566839 484382580 /nfs/dbraw/zinc/38/25/80/484382580.db2.gz ACTAASZQBSGKHR-ZCFIWIBFSA-N -1 0 355.825 -0.108 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]2C)nnn1C ZINC000629628192 484410537 /nfs/dbraw/zinc/41/05/37/484410537.db2.gz CMTDVHOSZFZVPV-PSASIEDQSA-N -1 0 351.454 -0.417 20 0 FBADRM COc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]2C)nc1 ZINC000629628277 484409441 /nfs/dbraw/zinc/40/94/41/484409441.db2.gz DZFCVPPRNQIJKM-MWLCHTKSSA-N -1 0 364.449 -0.055 20 0 FBADRM COc1cncnc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1C[C@H]1C ZINC000629628327 484409524 /nfs/dbraw/zinc/40/95/24/484409524.db2.gz GRWIOPPPXVRWKF-NXEZZACHSA-N -1 0 364.449 -0.055 20 0 FBADRM CO[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000629628371 484408977 /nfs/dbraw/zinc/40/89/77/484408977.db2.gz DJFYZOSMUWMWAZ-KYZUINATSA-N -1 0 353.426 -0.967 20 0 FBADRM COc1cncc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]2C)n1 ZINC000629628495 484459184 /nfs/dbraw/zinc/45/91/84/484459184.db2.gz IVWWJMAPZLIRHH-NXEZZACHSA-N -1 0 364.449 -0.055 20 0 FBADRM COc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]2C)ncn1 ZINC000629629150 484408935 /nfs/dbraw/zinc/40/89/35/484408935.db2.gz MHYZQPDPENUDHN-NXEZZACHSA-N -1 0 364.449 -0.055 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]2C)nn1C ZINC000629629341 484409362 /nfs/dbraw/zinc/40/93/62/484409362.db2.gz WCQWDPVDBFTNHT-PSASIEDQSA-N -1 0 351.454 -0.417 20 0 FBADRM CO[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2noc(C)n2)C1 ZINC000629629349 484409566 /nfs/dbraw/zinc/40/95/66/484409566.db2.gz OHUKGRIFBNDSBA-MGCOHNPYSA-N -1 0 368.437 -0.393 20 0 FBADRM C[C@@H]1C[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc2ncccn2n1 ZINC000629629453 484091469 /nfs/dbraw/zinc/09/14/69/484091469.db2.gz PKRZPNLMLNYAGM-NXEZZACHSA-N -1 0 374.448 -0.416 20 0 FBADRM CO[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ncn(C)n2)C1 ZINC000629629613 484409545 /nfs/dbraw/zinc/40/95/45/484409545.db2.gz QKZAPWUWAGIITF-MGCOHNPYSA-N -1 0 367.453 -0.956 20 0 FBADRM CO[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)C1 ZINC000629629623 484408756 /nfs/dbraw/zinc/40/87/56/484408756.db2.gz QLFCAOSJELFGES-XYPYZODXSA-N -1 0 364.449 -0.295 20 0 FBADRM CO[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccn(C)n2)C1 ZINC000629629793 484408815 /nfs/dbraw/zinc/40/88/15/484408815.db2.gz SILFIRAKYMCSEM-XYPYZODXSA-N -1 0 366.465 -0.351 20 0 FBADRM CO[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C1 ZINC000629630170 484410780 /nfs/dbraw/zinc/41/07/80/484410780.db2.gz WYTYXQPCQOMZAM-MGCOHNPYSA-N -1 0 353.422 -0.097 20 0 FBADRM CO[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nncs2)C1 ZINC000629630294 484410577 /nfs/dbraw/zinc/41/05/77/484410577.db2.gz YJGAWMDXHAJHLH-KYZUINATSA-N -1 0 370.478 -0.233 20 0 FBADRM CN(C[C@H]1C[C@@H](O)C1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000629630403 484410505 /nfs/dbraw/zinc/41/05/05/484410505.db2.gz VGMQKVWGLMUQMA-PHIMTYICSA-N -1 0 367.449 -0.161 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@H]1C[C@@H](O)C1)[N-]c1nccs1 ZINC000629631565 484410985 /nfs/dbraw/zinc/41/09/85/484410985.db2.gz FTUTYSUORJRUHU-AOOOYVTPSA-N -1 0 369.490 -0.035 20 0 FBADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2C[C@@H](O)C2)no1 ZINC000629632377 484410366 /nfs/dbraw/zinc/41/03/66/484410366.db2.gz ROVLHPZPEYNNKG-PHIMTYICSA-N -1 0 367.449 -0.195 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C2CC2)C2CC2)n1 ZINC000629636661 484410191 /nfs/dbraw/zinc/41/01/91/484410191.db2.gz OMXNWDZMXBVGEW-UHFFFAOYSA-N -1 0 363.465 -0.097 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CC2(C1)CCCO2)[N-]c1nc[nH]n1 ZINC000629640064 484411734 /nfs/dbraw/zinc/41/17/34/484411734.db2.gz YSEDNWBFWLVEFX-UHFFFAOYSA-N -1 0 365.437 -0.869 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]2C[C@H]2C)nn1C ZINC000629644429 661767587 /nfs/dbraw/zinc/76/75/87/661767587.db2.gz YINHRKBKJLLHOY-MWLCHTKSSA-N -1 0 365.481 -0.027 20 0 FBADRM C[C@@H]1C[C@H]1NS(=O)(=O)CCCCS(=O)(=O)[N-]c1ncn(C)n1 ZINC000629644455 661767748 /nfs/dbraw/zinc/76/77/48/661767748.db2.gz ZDXQJFHYWKJLMO-NXEZZACHSA-N -1 0 351.454 -0.335 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)CC[C@@H]1C(=O)[O-] ZINC000629770699 484428117 /nfs/dbraw/zinc/42/81/17/484428117.db2.gz AGXCLVQQBZEKSI-NEPJUHHUSA-N -1 0 354.407 -0.619 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)CC[C@H]1C(=O)[O-] ZINC000629770700 484428261 /nfs/dbraw/zinc/42/82/61/484428261.db2.gz AGXCLVQQBZEKSI-NWDGAFQWSA-N -1 0 354.407 -0.619 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)CC[C@@H]1C(=O)[O-] ZINC000629770701 484427957 /nfs/dbraw/zinc/42/79/57/484427957.db2.gz AGXCLVQQBZEKSI-RYUDHWBXSA-N -1 0 354.407 -0.619 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)CC[C@H]1C(=O)[O-] ZINC000629770703 484427792 /nfs/dbraw/zinc/42/77/92/484427792.db2.gz AGXCLVQQBZEKSI-VXGBXAGGSA-N -1 0 354.407 -0.619 20 0 FBADRM CCCN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000629771724 484429601 /nfs/dbraw/zinc/42/96/01/484429601.db2.gz HSEUCTPOSLBDPT-AGIUHOORSA-N -1 0 374.459 -0.019 20 0 FBADRM CCCN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000629771725 484429347 /nfs/dbraw/zinc/42/93/47/484429347.db2.gz HSEUCTPOSLBDPT-AVGNSLFASA-N -1 0 374.459 -0.019 20 0 FBADRM CCCN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000629771726 484429686 /nfs/dbraw/zinc/42/96/86/484429686.db2.gz HSEUCTPOSLBDPT-UPJWGTAASA-N -1 0 374.459 -0.019 20 0 FBADRM CCCN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000629771727 484428894 /nfs/dbraw/zinc/42/88/94/484428894.db2.gz HSEUCTPOSLBDPT-XQQFMLRXSA-N -1 0 374.459 -0.019 20 0 FBADRM CC(C)CN1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CC1=O ZINC000629771859 484428924 /nfs/dbraw/zinc/42/89/24/484428924.db2.gz DDISIYUTBDKMFJ-CHWSQXEVSA-N -1 0 353.419 -0.118 20 0 FBADRM CC(C)CN1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1=O ZINC000629771865 484429247 /nfs/dbraw/zinc/42/92/47/484429247.db2.gz DDISIYUTBDKMFJ-OLZOCXBDSA-N -1 0 353.419 -0.118 20 0 FBADRM CC(C)CN1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1=O ZINC000629771867 484429241 /nfs/dbraw/zinc/42/92/41/484429241.db2.gz DDISIYUTBDKMFJ-QWHCGFSZSA-N -1 0 353.419 -0.118 20 0 FBADRM CC(C)CN1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CC1=O ZINC000629771869 484429677 /nfs/dbraw/zinc/42/96/77/484429677.db2.gz DDISIYUTBDKMFJ-STQMWFEESA-N -1 0 353.419 -0.118 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)CC[C@@H]1C(=O)[O-] ZINC000629773433 484429273 /nfs/dbraw/zinc/42/92/73/484429273.db2.gz DLIOAOHIRHVTIK-BDAKNGLRSA-N -1 0 365.308 -0.254 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)CC[C@H]1C(=O)[O-] ZINC000629773434 484429590 /nfs/dbraw/zinc/42/95/90/484429590.db2.gz DLIOAOHIRHVTIK-DTWKUNHWSA-N -1 0 365.308 -0.254 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)CC[C@@H]1C(=O)[O-] ZINC000629773435 484429432 /nfs/dbraw/zinc/42/94/32/484429432.db2.gz DLIOAOHIRHVTIK-IUCAKERBSA-N -1 0 365.308 -0.254 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)CC[C@H]1C(=O)[O-] ZINC000629773436 484429522 /nfs/dbraw/zinc/42/95/22/484429522.db2.gz DLIOAOHIRHVTIK-RKDXNWHRSA-N -1 0 365.308 -0.254 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCC3=O)C2)CC[C@@H]1C(=O)[O-] ZINC000629773651 484429008 /nfs/dbraw/zinc/42/90/08/484429008.db2.gz HNDPOFBGLXAUNL-AGIUHOORSA-N -1 0 351.403 -0.221 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCC3=O)C2)CC[C@H]1C(=O)[O-] ZINC000629773652 484429394 /nfs/dbraw/zinc/42/93/94/484429394.db2.gz HNDPOFBGLXAUNL-FRRDWIJNSA-N -1 0 351.403 -0.221 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCC3=O)C2)CC[C@H]1C(=O)[O-] ZINC000629773653 484429488 /nfs/dbraw/zinc/42/94/88/484429488.db2.gz HNDPOFBGLXAUNL-JHJVBQTASA-N -1 0 351.403 -0.221 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCC3=O)C2)CC[C@@H]1C(=O)[O-] ZINC000629773654 484429254 /nfs/dbraw/zinc/42/92/54/484429254.db2.gz HNDPOFBGLXAUNL-UPJWGTAASA-N -1 0 351.403 -0.221 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccn3)CC2)CC[C@H]1C(=O)[O-] ZINC000629773729 484429442 /nfs/dbraw/zinc/42/94/42/484429442.db2.gz RRLUKJNTENUMQK-CHWSQXEVSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccn3)CC2)CC[C@@H]1C(=O)[O-] ZINC000629773730 484429041 /nfs/dbraw/zinc/42/90/41/484429041.db2.gz RRLUKJNTENUMQK-OLZOCXBDSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccn3)CC2)CC[C@H]1C(=O)[O-] ZINC000629773731 484428771 /nfs/dbraw/zinc/42/87/71/484428771.db2.gz RRLUKJNTENUMQK-QWHCGFSZSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccn3)CC2)CC[C@@H]1C(=O)[O-] ZINC000629773732 484429640 /nfs/dbraw/zinc/42/96/40/484429640.db2.gz RRLUKJNTENUMQK-STQMWFEESA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CC[C@H]1C(=O)[O-] ZINC000629774031 484429171 /nfs/dbraw/zinc/42/91/71/484429171.db2.gz KMTMMAQSYXIBGX-KGYLQXTDSA-N -1 0 366.418 -0.382 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)CC[C@H]1C(=O)[O-] ZINC000629774032 484428944 /nfs/dbraw/zinc/42/89/44/484428944.db2.gz KMTMMAQSYXIBGX-RAIGVLPGSA-N -1 0 366.418 -0.382 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)CC[C@@H]1C(=O)[O-] ZINC000629774033 484429341 /nfs/dbraw/zinc/42/93/41/484429341.db2.gz KMTMMAQSYXIBGX-RTXFEEFZSA-N -1 0 366.418 -0.382 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CC[C@@H]1C(=O)[O-] ZINC000629774034 484429385 /nfs/dbraw/zinc/42/93/85/484429385.db2.gz KMTMMAQSYXIBGX-WXHSDQCUSA-N -1 0 366.418 -0.382 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)CC[C@@H]1C(=O)[O-] ZINC000629774115 484429389 /nfs/dbraw/zinc/42/93/89/484429389.db2.gz UOJWVPMJOBOSEK-KGYLQXTDSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)CC[C@H]1C(=O)[O-] ZINC000629774116 484429166 /nfs/dbraw/zinc/42/91/66/484429166.db2.gz UOJWVPMJOBOSEK-RAIGVLPGSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C(=O)NC2CC2)CC[C@H]1C(=O)[O-] ZINC000629774117 484428839 /nfs/dbraw/zinc/42/88/39/484428839.db2.gz UOJWVPMJOBOSEK-RTXFEEFZSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C(=O)NC2CC2)CC[C@@H]1C(=O)[O-] ZINC000629774118 484429279 /nfs/dbraw/zinc/42/92/79/484429279.db2.gz UOJWVPMJOBOSEK-WXHSDQCUSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cnccn3)CC2)CC[C@H]1C(=O)[O-] ZINC000629774394 484429127 /nfs/dbraw/zinc/42/91/27/484429127.db2.gz XOFRHCDVXJJXOW-CHWSQXEVSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cnccn3)CC2)CC[C@@H]1C(=O)[O-] ZINC000629774395 484429229 /nfs/dbraw/zinc/42/92/29/484429229.db2.gz XOFRHCDVXJJXOW-OLZOCXBDSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCN(c3cnccn3)CC2)CC[C@H]1C(=O)[O-] ZINC000629774396 484429464 /nfs/dbraw/zinc/42/94/64/484429464.db2.gz XOFRHCDVXJJXOW-QWHCGFSZSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCN(c3cnccn3)CC2)CC[C@@H]1C(=O)[O-] ZINC000629774398 484429016 /nfs/dbraw/zinc/42/90/16/484429016.db2.gz XOFRHCDVXJJXOW-STQMWFEESA-N -1 0 361.402 -0.306 20 0 FBADRM CC(C)C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC000629774476 484429182 /nfs/dbraw/zinc/42/91/82/484429182.db2.gz YGCUJGNFFIAURX-CHWSQXEVSA-N -1 0 353.419 -0.118 20 0 FBADRM CC(C)C(=O)N1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC000629774477 484429080 /nfs/dbraw/zinc/42/90/80/484429080.db2.gz YGCUJGNFFIAURX-OLZOCXBDSA-N -1 0 353.419 -0.118 20 0 FBADRM CC(C)C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC000629774479 484429198 /nfs/dbraw/zinc/42/91/98/484429198.db2.gz YGCUJGNFFIAURX-QWHCGFSZSA-N -1 0 353.419 -0.118 20 0 FBADRM CC(C)C(=O)N1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC000629774481 484429556 /nfs/dbraw/zinc/42/95/56/484429556.db2.gz YGCUJGNFFIAURX-STQMWFEESA-N -1 0 353.419 -0.118 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CC1=O ZINC000629774518 484428816 /nfs/dbraw/zinc/42/88/16/484428816.db2.gz NQOCAZUNWBQKIW-CHWSQXEVSA-N -1 0 369.418 -0.737 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1=O ZINC000629774519 484429357 /nfs/dbraw/zinc/42/93/57/484429357.db2.gz NQOCAZUNWBQKIW-OLZOCXBDSA-N -1 0 369.418 -0.737 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1=O ZINC000629774521 484428872 /nfs/dbraw/zinc/42/88/72/484428872.db2.gz NQOCAZUNWBQKIW-QWHCGFSZSA-N -1 0 369.418 -0.737 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CC1=O ZINC000629774523 484429649 /nfs/dbraw/zinc/42/96/49/484429649.db2.gz NQOCAZUNWBQKIW-STQMWFEESA-N -1 0 369.418 -0.737 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C[C@@H]1C(=O)[O-] ZINC000629775327 484430061 /nfs/dbraw/zinc/43/00/61/484430061.db2.gz BMSJXCVDOGXMKP-NEPJUHHUSA-N -1 0 362.390 -0.911 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C[C@H]1C(=O)[O-] ZINC000629775328 484430485 /nfs/dbraw/zinc/43/04/85/484430485.db2.gz BMSJXCVDOGXMKP-NWDGAFQWSA-N -1 0 362.390 -0.911 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C[C@@H]1C(=O)[O-] ZINC000629775329 484430252 /nfs/dbraw/zinc/43/02/52/484430252.db2.gz BMSJXCVDOGXMKP-RYUDHWBXSA-N -1 0 362.390 -0.911 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C[C@H]1C(=O)[O-] ZINC000629775330 484430919 /nfs/dbraw/zinc/43/09/19/484430919.db2.gz BMSJXCVDOGXMKP-VXGBXAGGSA-N -1 0 362.390 -0.911 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)CC[C@H]1C(=O)[O-] ZINC000629775393 484430546 /nfs/dbraw/zinc/43/05/46/484430546.db2.gz SJYVVYYCHSLQJH-MQYQWHSLSA-N -1 0 354.403 -0.038 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)CC[C@@H]1C(=O)[O-] ZINC000629775398 484430693 /nfs/dbraw/zinc/43/06/93/484430693.db2.gz SJYVVYYCHSLQJH-RFGFWPKPSA-N -1 0 354.403 -0.038 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)CC[C@@H]1C(=O)[O-] ZINC000629775401 484430447 /nfs/dbraw/zinc/43/04/47/484430447.db2.gz SJYVVYYCHSLQJH-RQJABVFESA-N -1 0 354.403 -0.038 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)CC[C@H]1C(=O)[O-] ZINC000629775403 484430366 /nfs/dbraw/zinc/43/03/66/484430366.db2.gz SJYVVYYCHSLQJH-SYQHCUMBSA-N -1 0 354.403 -0.038 20 0 FBADRM COCCC1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000629775719 484429309 /nfs/dbraw/zinc/42/93/09/484429309.db2.gz DHCHNJBKEYNHRH-CXAGYDPISA-N -1 0 354.403 -0.179 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000629775822 484430394 /nfs/dbraw/zinc/43/03/94/484430394.db2.gz JWDXHXAZYAMQDZ-GRYCIOLGSA-N -1 0 362.448 -0.163 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000629775824 484430669 /nfs/dbraw/zinc/43/06/69/484430669.db2.gz JWDXHXAZYAMQDZ-SDDRHHMPSA-N -1 0 362.448 -0.163 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000629775825 484430872 /nfs/dbraw/zinc/43/08/72/484430872.db2.gz JWDXHXAZYAMQDZ-SRVKXCTJSA-N -1 0 362.448 -0.163 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000629775827 484430146 /nfs/dbraw/zinc/43/01/46/484430146.db2.gz JWDXHXAZYAMQDZ-WOPDTQHZSA-N -1 0 362.448 -0.163 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](S(C)(=O)=O)C2)CC[C@H]1C(=O)[O-] ZINC000629775991 484430574 /nfs/dbraw/zinc/43/05/74/484430574.db2.gz LFWDNJWUJYYOPG-GRYCIOLGSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)CC[C@H]1C(=O)[O-] ZINC000629775992 484430512 /nfs/dbraw/zinc/43/05/12/484430512.db2.gz LFWDNJWUJYYOPG-IJLUTSLNSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)CC[C@@H]1C(=O)[O-] ZINC000629775993 484430422 /nfs/dbraw/zinc/43/04/22/484430422.db2.gz LFWDNJWUJYYOPG-UTUOFQBUSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](S(C)(=O)=O)C2)CC[C@@H]1C(=O)[O-] ZINC000629776172 484430837 /nfs/dbraw/zinc/43/08/37/484430837.db2.gz LFWDNJWUJYYOPG-WOPDTQHZSA-N -1 0 360.432 -0.409 20 0 FBADRM CCN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)[C@@H](C)CS(C)(=O)=O ZINC000629776206 484430714 /nfs/dbraw/zinc/43/07/14/484430714.db2.gz LPEOTQRXLKUWPE-SRVKXCTJSA-N -1 0 362.448 -0.163 20 0 FBADRM CCN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)[C@H](C)CS(C)(=O)=O ZINC000629776208 484430809 /nfs/dbraw/zinc/43/08/09/484430809.db2.gz LPEOTQRXLKUWPE-TUAOUCFPSA-N -1 0 362.448 -0.163 20 0 FBADRM CCN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)[C@H](C)CS(C)(=O)=O ZINC000629776209 484430140 /nfs/dbraw/zinc/43/01/40/484430140.db2.gz LPEOTQRXLKUWPE-UTUOFQBUSA-N -1 0 362.448 -0.163 20 0 FBADRM CCN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)[C@@H](C)CS(C)(=O)=O ZINC000629776211 484430071 /nfs/dbraw/zinc/43/00/71/484430071.db2.gz LPEOTQRXLKUWPE-WOPDTQHZSA-N -1 0 362.448 -0.163 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccnn3)CC2)CC[C@H]1C(=O)[O-] ZINC000629777286 484430776 /nfs/dbraw/zinc/43/07/76/484430776.db2.gz NUHMMGVBVZUHBD-CHWSQXEVSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccnn3)CC2)CC[C@@H]1C(=O)[O-] ZINC000629777287 484430652 /nfs/dbraw/zinc/43/06/52/484430652.db2.gz NUHMMGVBVZUHBD-OLZOCXBDSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCN(c3cccnn3)CC2)CC[C@H]1C(=O)[O-] ZINC000629777289 484430343 /nfs/dbraw/zinc/43/03/43/484430343.db2.gz NUHMMGVBVZUHBD-QWHCGFSZSA-N -1 0 361.402 -0.306 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCN(c3cccnn3)CC2)CC[C@@H]1C(=O)[O-] ZINC000629777291 484430910 /nfs/dbraw/zinc/43/09/10/484430910.db2.gz NUHMMGVBVZUHBD-STQMWFEESA-N -1 0 361.402 -0.306 20 0 FBADRM COCCN(Cc1ccnn1C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000629777342 484430353 /nfs/dbraw/zinc/43/03/53/484430353.db2.gz RMKPJSDVSGROFG-GXTWGEPZSA-N -1 0 366.418 -0.036 20 0 FBADRM COCCN(Cc1ccnn1C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000629777344 484430247 /nfs/dbraw/zinc/43/02/47/484430247.db2.gz RMKPJSDVSGROFG-JSGCOSHPSA-N -1 0 366.418 -0.036 20 0 FBADRM COCCN(Cc1ccnn1C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000629777345 484430203 /nfs/dbraw/zinc/43/02/03/484430203.db2.gz RMKPJSDVSGROFG-OCCSQVGLSA-N -1 0 366.418 -0.036 20 0 FBADRM COCCN(Cc1ccnn1C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000629777347 484430463 /nfs/dbraw/zinc/43/04/63/484430463.db2.gz RMKPJSDVSGROFG-TZMCWYRMSA-N -1 0 366.418 -0.036 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)CC[C@H]1C(=O)[O-] ZINC000629777476 484430854 /nfs/dbraw/zinc/43/08/54/484430854.db2.gz PGMQPKKHPSKISG-FDYHWXHSSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)CC[C@H]1C(=O)[O-] ZINC000629777477 484430400 /nfs/dbraw/zinc/43/04/00/484430400.db2.gz PGMQPKKHPSKISG-LPWJVIDDSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)CC[C@@H]1C(=O)[O-] ZINC000629777479 484430406 /nfs/dbraw/zinc/43/04/06/484430406.db2.gz PGMQPKKHPSKISG-XQHKEYJVSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)CC[C@@H]1C(=O)[O-] ZINC000629777481 484430845 /nfs/dbraw/zinc/43/08/45/484430845.db2.gz PGMQPKKHPSKISG-YVECIDJPSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCN(c3cnn(C)c3)CC2)CC[C@H]1C(=O)[O-] ZINC000629777662 484430086 /nfs/dbraw/zinc/43/00/86/484430086.db2.gz UEHKNBCSGZRAOL-GXTWGEPZSA-N -1 0 363.418 -0.362 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCN(c3cnn(C)c3)CC2)CC[C@@H]1C(=O)[O-] ZINC000629777663 484430677 /nfs/dbraw/zinc/43/06/77/484430677.db2.gz UEHKNBCSGZRAOL-JSGCOSHPSA-N -1 0 363.418 -0.362 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cnn(C)c3)CC2)CC[C@@H]1C(=O)[O-] ZINC000629777664 484430375 /nfs/dbraw/zinc/43/03/75/484430375.db2.gz UEHKNBCSGZRAOL-OCCSQVGLSA-N -1 0 363.418 -0.362 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cnn(C)c3)CC2)CC[C@H]1C(=O)[O-] ZINC000629777665 484430132 /nfs/dbraw/zinc/43/01/32/484430132.db2.gz UEHKNBCSGZRAOL-TZMCWYRMSA-N -1 0 363.418 -0.362 20 0 FBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000629778283 484430287 /nfs/dbraw/zinc/43/02/87/484430287.db2.gz ZFMSVHDQDRZCPR-DDHJBXDOSA-N -1 0 362.448 -0.164 20 0 FBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000629778284 484430660 /nfs/dbraw/zinc/43/06/60/484430660.db2.gz ZFMSVHDQDRZCPR-KKOKHZNYSA-N -1 0 362.448 -0.164 20 0 FBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000629778285 484430384 /nfs/dbraw/zinc/43/03/84/484430384.db2.gz ZFMSVHDQDRZCPR-WISYIIOYSA-N -1 0 362.448 -0.164 20 0 FBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000629778286 484430553 /nfs/dbraw/zinc/43/05/53/484430553.db2.gz ZFMSVHDQDRZCPR-WYUUTHIRSA-N -1 0 362.448 -0.164 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)CC[C@@H]1C(=O)[O-] ZINC000629779001 484431323 /nfs/dbraw/zinc/43/13/23/484431323.db2.gz HWOZZCAKOPRHMJ-NEPJUHHUSA-N -1 0 362.390 -0.911 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)CC[C@H]1C(=O)[O-] ZINC000629779004 484432009 /nfs/dbraw/zinc/43/20/09/484432009.db2.gz HWOZZCAKOPRHMJ-NWDGAFQWSA-N -1 0 362.390 -0.911 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)CC[C@@H]1C(=O)[O-] ZINC000629779006 484431847 /nfs/dbraw/zinc/43/18/47/484431847.db2.gz HWOZZCAKOPRHMJ-RYUDHWBXSA-N -1 0 362.390 -0.911 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)CC[C@H]1C(=O)[O-] ZINC000629779008 484431858 /nfs/dbraw/zinc/43/18/58/484431858.db2.gz HWOZZCAKOPRHMJ-VXGBXAGGSA-N -1 0 362.390 -0.911 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)CC[C@@H]1C(=O)[O-] ZINC000629779296 484432198 /nfs/dbraw/zinc/43/21/98/484432198.db2.gz OPLGMWDXZJXSCN-NEPJUHHUSA-N -1 0 364.406 -0.967 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)CC[C@H]1C(=O)[O-] ZINC000629779297 484431343 /nfs/dbraw/zinc/43/13/43/484431343.db2.gz OPLGMWDXZJXSCN-NWDGAFQWSA-N -1 0 364.406 -0.967 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)CC[C@@H]1C(=O)[O-] ZINC000629779298 484431778 /nfs/dbraw/zinc/43/17/78/484431778.db2.gz OPLGMWDXZJXSCN-RYUDHWBXSA-N -1 0 364.406 -0.967 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)CC[C@H]1C(=O)[O-] ZINC000629779299 484431803 /nfs/dbraw/zinc/43/18/03/484431803.db2.gz OPLGMWDXZJXSCN-VXGBXAGGSA-N -1 0 364.406 -0.967 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C1 ZINC000629779306 484431589 /nfs/dbraw/zinc/43/15/89/484431589.db2.gz OSWXVDFDLNEZLA-NEPJUHHUSA-N -1 0 362.390 -0.911 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C1 ZINC000629779307 484431448 /nfs/dbraw/zinc/43/14/48/484431448.db2.gz OSWXVDFDLNEZLA-NWDGAFQWSA-N -1 0 362.390 -0.911 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C1 ZINC000629779308 484432125 /nfs/dbraw/zinc/43/21/25/484432125.db2.gz OSWXVDFDLNEZLA-RYUDHWBXSA-N -1 0 362.390 -0.911 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C1 ZINC000629779309 484431512 /nfs/dbraw/zinc/43/15/12/484431512.db2.gz OSWXVDFDLNEZLA-VXGBXAGGSA-N -1 0 362.390 -0.911 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)CC1 ZINC000629779388 484432107 /nfs/dbraw/zinc/43/21/07/484432107.db2.gz QETIZVURGPVCQF-UHFFFAOYSA-N -1 0 362.390 -0.767 20 0 FBADRM NC(=O)C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CCO1 ZINC000629779430 484432174 /nfs/dbraw/zinc/43/21/74/484432174.db2.gz RCIAMEBIYHWHID-NEPJUHHUSA-N -1 0 355.391 -0.807 20 0 FBADRM NC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CCO1 ZINC000629779431 484431425 /nfs/dbraw/zinc/43/14/25/484431425.db2.gz RCIAMEBIYHWHID-NWDGAFQWSA-N -1 0 355.391 -0.807 20 0 FBADRM NC(=O)C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CCO1 ZINC000629779432 484431386 /nfs/dbraw/zinc/43/13/86/484431386.db2.gz RCIAMEBIYHWHID-RYUDHWBXSA-N -1 0 355.391 -0.807 20 0 FBADRM NC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CCO1 ZINC000629779433 484431526 /nfs/dbraw/zinc/43/15/26/484431526.db2.gz RCIAMEBIYHWHID-VXGBXAGGSA-N -1 0 355.391 -0.807 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)CC[C@@H]1C(=O)[O-] ZINC000629779466 484431502 /nfs/dbraw/zinc/43/15/02/484431502.db2.gz RTYKMJYNEWPTQQ-AGIUHOORSA-N -1 0 368.434 -0.230 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)CC[C@H]1C(=O)[O-] ZINC000629779467 484431793 /nfs/dbraw/zinc/43/17/93/484431793.db2.gz RTYKMJYNEWPTQQ-FRRDWIJNSA-N -1 0 368.434 -0.230 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)CC[C@H]1C(=O)[O-] ZINC000629779468 484431349 /nfs/dbraw/zinc/43/13/49/484431349.db2.gz RTYKMJYNEWPTQQ-JHJVBQTASA-N -1 0 368.434 -0.230 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)CC[C@@H]1C(=O)[O-] ZINC000629779469 484431950 /nfs/dbraw/zinc/43/19/50/484431950.db2.gz RTYKMJYNEWPTQQ-UPJWGTAASA-N -1 0 368.434 -0.230 20 0 FBADRM CN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cnc([O-])n(C)c1=O ZINC000629779481 484431581 /nfs/dbraw/zinc/43/15/81/484431581.db2.gz SAUGPDITUKZQDE-UHFFFAOYSA-N -1 0 374.353 -0.032 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1C[C@@H]3CCC[C@]3(CO)C1)C2 ZINC000629779579 484431517 /nfs/dbraw/zinc/43/15/17/484431517.db2.gz URNUXVDYTBYBED-JQHQGBHXSA-N -1 0 352.387 -0.833 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCOC[C@H]2c2ccnn2C)CC[C@H]1C(=O)[O-] ZINC000629779660 484432031 /nfs/dbraw/zinc/43/20/31/484432031.db2.gz WTTFCQPNMQLPJC-BZPMIXESSA-N -1 0 364.402 -0.111 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCOC[C@H]2c2ccnn2C)CC[C@@H]1C(=O)[O-] ZINC000629779661 484431829 /nfs/dbraw/zinc/43/18/29/484431829.db2.gz WTTFCQPNMQLPJC-DYEKYZERSA-N -1 0 364.402 -0.111 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCOC[C@@H]2c2ccnn2C)CC[C@@H]1C(=O)[O-] ZINC000629779662 484431664 /nfs/dbraw/zinc/43/16/64/484431664.db2.gz WTTFCQPNMQLPJC-MBNYWOFBSA-N -1 0 364.402 -0.111 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCOC[C@@H]2c2ccnn2C)CC[C@H]1C(=O)[O-] ZINC000629779663 484431897 /nfs/dbraw/zinc/43/18/97/484431897.db2.gz WTTFCQPNMQLPJC-YRGRVCCFSA-N -1 0 364.402 -0.111 20 0 FBADRM NC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CCO1 ZINC000629779735 484431696 /nfs/dbraw/zinc/43/16/96/484431696.db2.gz YMDZDWBLAVXAOZ-GFCCVEGCSA-N -1 0 355.391 -0.807 20 0 FBADRM NC(=O)C[C@H]1CN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CCO1 ZINC000629779736 484431742 /nfs/dbraw/zinc/43/17/42/484431742.db2.gz YMDZDWBLAVXAOZ-LBPRGKRZSA-N -1 0 355.391 -0.807 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)C[C@@H](C)S1(=O)=O ZINC000629780154 484430685 /nfs/dbraw/zinc/43/06/85/484430685.db2.gz FLCYOHNLWBCVOX-LOWDOPEQSA-N -1 0 374.459 -0.020 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)C[C@@H](C)S1(=O)=O ZINC000629780155 484430267 /nfs/dbraw/zinc/43/02/67/484430267.db2.gz FLCYOHNLWBCVOX-LPWJVIDDSA-N -1 0 374.459 -0.020 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)C[C@H](C)S1(=O)=O ZINC000629780157 484430953 /nfs/dbraw/zinc/43/09/53/484430953.db2.gz FLCYOHNLWBCVOX-RVMXOQNASA-N -1 0 374.459 -0.020 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)C[C@H](C)S1(=O)=O ZINC000629780160 484430175 /nfs/dbraw/zinc/43/01/75/484430175.db2.gz FLCYOHNLWBCVOX-XQHKEYJVSA-N -1 0 374.459 -0.020 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)CC[C@H]1C(=O)[O-] ZINC000629780411 484432184 /nfs/dbraw/zinc/43/21/84/484432184.db2.gz GSARNXCYQVRREE-GHMZBOCLSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)CC[C@@H]1C(=O)[O-] ZINC000629780412 484431465 /nfs/dbraw/zinc/43/14/65/484431465.db2.gz GSARNXCYQVRREE-MNOVXSKESA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)CC[C@@H]1C(=O)[O-] ZINC000629780413 484432193 /nfs/dbraw/zinc/43/21/93/484432193.db2.gz GSARNXCYQVRREE-QWRGUYRKSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)CC[C@H]1C(=O)[O-] ZINC000629780414 484431361 /nfs/dbraw/zinc/43/13/61/484431361.db2.gz GSARNXCYQVRREE-WDEREUQCSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)CC[C@H]1C(=O)[O-] ZINC000629781199 484432132 /nfs/dbraw/zinc/43/21/32/484432132.db2.gz MBXZAJJLDVWWIC-NOOOWODRSA-N -1 0 360.432 -0.410 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)CC[C@@H]1C(=O)[O-] ZINC000629781200 484431557 /nfs/dbraw/zinc/43/15/57/484431557.db2.gz MBXZAJJLDVWWIC-RHYQMDGZSA-N -1 0 360.432 -0.410 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)C[C@H](C)S1(=O)=O ZINC000629781201 484431457 /nfs/dbraw/zinc/43/14/57/484431457.db2.gz MBXZAJJLDVWWIC-WISYIIOYSA-N -1 0 360.432 -0.410 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)C[C@H](C)S1(=O)=O ZINC000629781202 484432139 /nfs/dbraw/zinc/43/21/39/484432139.db2.gz MBXZAJJLDVWWIC-WYUUTHIRSA-N -1 0 360.432 -0.410 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](NC(=O)N(C)C)C2)CC[C@@H]1C(=O)[O-] ZINC000629781226 484431598 /nfs/dbraw/zinc/43/15/98/484431598.db2.gz MWTKUTOATGJRCT-AGIUHOORSA-N -1 0 368.434 -0.182 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](NC(=O)N(C)C)C2)CC[C@H]1C(=O)[O-] ZINC000629781227 484431532 /nfs/dbraw/zinc/43/15/32/484431532.db2.gz MWTKUTOATGJRCT-FRRDWIJNSA-N -1 0 368.434 -0.182 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)CC[C@H]1C(=O)[O-] ZINC000629781228 484431885 /nfs/dbraw/zinc/43/18/85/484431885.db2.gz MWTKUTOATGJRCT-JHJVBQTASA-N -1 0 368.434 -0.182 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)CC[C@@H]1C(=O)[O-] ZINC000629781229 484431332 /nfs/dbraw/zinc/43/13/32/484431332.db2.gz MWTKUTOATGJRCT-UPJWGTAASA-N -1 0 368.434 -0.182 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)CC[C@@H]1C(=O)[O-] ZINC000629781481 484431537 /nfs/dbraw/zinc/43/15/37/484431537.db2.gz OVICELUSVPWLPY-AGIUHOORSA-N -1 0 374.459 -0.161 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)CC[C@H]1C(=O)[O-] ZINC000629781482 484431621 /nfs/dbraw/zinc/43/16/21/484431621.db2.gz OVICELUSVPWLPY-FRRDWIJNSA-N -1 0 374.459 -0.161 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)CC[C@H]1C(=O)[O-] ZINC000629781483 484432076 /nfs/dbraw/zinc/43/20/76/484432076.db2.gz OVICELUSVPWLPY-JHJVBQTASA-N -1 0 374.459 -0.161 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)CC[C@@H]1C(=O)[O-] ZINC000629781484 484432164 /nfs/dbraw/zinc/43/21/64/484432164.db2.gz OVICELUSVPWLPY-UPJWGTAASA-N -1 0 374.459 -0.161 20 0 FBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C1 ZINC000629781733 484431368 /nfs/dbraw/zinc/43/13/68/484431368.db2.gz PIZYQPQCIYZCIC-GFCCVEGCSA-N -1 0 362.390 -0.767 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C1 ZINC000629781735 484431380 /nfs/dbraw/zinc/43/13/80/484431380.db2.gz PIZYQPQCIYZCIC-LBPRGKRZSA-N -1 0 362.390 -0.767 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)CC[C@@H]1C(=O)[O-] ZINC000629781776 484432155 /nfs/dbraw/zinc/43/21/55/484432155.db2.gz PRALRXONLIFTIA-AGIUHOORSA-N -1 0 374.459 -0.019 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)CC[C@H]1C(=O)[O-] ZINC000629781777 484431354 /nfs/dbraw/zinc/43/13/54/484431354.db2.gz PRALRXONLIFTIA-FRRDWIJNSA-N -1 0 374.459 -0.019 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)CC[C@H]1C(=O)[O-] ZINC000629781779 484431906 /nfs/dbraw/zinc/43/19/06/484431906.db2.gz PRALRXONLIFTIA-JHJVBQTASA-N -1 0 374.459 -0.019 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)CC[C@@H]1C(=O)[O-] ZINC000629781781 484432023 /nfs/dbraw/zinc/43/20/23/484432023.db2.gz PRALRXONLIFTIA-UPJWGTAASA-N -1 0 374.459 -0.019 20 0 FBADRM C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000629783126 484432922 /nfs/dbraw/zinc/43/29/22/484432922.db2.gz DXRFRJACRHESHC-HRDYMLBCSA-N -1 0 354.281 -0.523 20 0 FBADRM C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000629783127 484433217 /nfs/dbraw/zinc/43/32/17/484433217.db2.gz DXRFRJACRHESHC-IWSPIJDZSA-N -1 0 354.281 -0.523 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCc3nc(C4CC4)ncc3C2)CCO1 ZINC000629783936 484432554 /nfs/dbraw/zinc/43/25/54/484432554.db2.gz VJXVTJBUSXBZLA-CYBMUJFWSA-N -1 0 360.370 -0.449 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCc3nc(C4CC4)ncc3C2)CCO1 ZINC000629783937 484433112 /nfs/dbraw/zinc/43/31/12/484433112.db2.gz VJXVTJBUSXBZLA-ZDUSSCGKSA-N -1 0 360.370 -0.449 20 0 FBADRM CC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000629784342 484432570 /nfs/dbraw/zinc/43/25/70/484432570.db2.gz SMIFYWDEWNNGJH-IIYDPXPESA-N -1 0 367.402 -0.937 20 0 FBADRM CC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000629784344 484432941 /nfs/dbraw/zinc/43/29/41/484432941.db2.gz SMIFYWDEWNNGJH-PBFPGSCMSA-N -1 0 367.402 -0.937 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCOc3cc(F)ccc3C2)CCO1 ZINC000629784423 484432652 /nfs/dbraw/zinc/43/26/52/484432652.db2.gz UDGGVUNNCDVMJL-CYBMUJFWSA-N -1 0 352.318 -0.141 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCOc3cc(F)ccc3C2)CCO1 ZINC000629784426 484433228 /nfs/dbraw/zinc/43/32/28/484433228.db2.gz UDGGVUNNCDVMJL-ZDUSSCGKSA-N -1 0 352.318 -0.141 20 0 FBADRM Cc1noc([C@@H]2OCC[C@@H]2NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])n1 ZINC000629784516 484432632 /nfs/dbraw/zinc/43/26/32/484432632.db2.gz OJAIDTOWUOALIS-CMPLNLGQSA-N -1 0 368.371 -0.009 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)c1 ZINC000629919520 484476962 /nfs/dbraw/zinc/47/69/62/484476962.db2.gz MZWMXOCHGFCJAL-GFCCVEGCSA-N -1 0 353.400 -0.077 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2CCN(C3CCC3)C2=O)c1 ZINC000629919521 484478167 /nfs/dbraw/zinc/47/81/67/484478167.db2.gz MZWMXOCHGFCJAL-LBPRGKRZSA-N -1 0 353.400 -0.077 20 0 FBADRM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000629967830 484502417 /nfs/dbraw/zinc/50/24/17/484502417.db2.gz VIKCUZJCXPWTFC-UHFFFAOYSA-N -1 0 357.367 -0.032 20 0 FBADRM O=C(Nc1n[nH]c(SCCO)n1)c1ccnc(N2CCOCC2)n1 ZINC000629971250 484343565 /nfs/dbraw/zinc/34/35/65/484343565.db2.gz COLBIPULVOHXFI-UHFFFAOYSA-N -1 0 351.392 -0.232 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2n[nH]c(SCCO)n2)cn1 ZINC000629972064 484508641 /nfs/dbraw/zinc/50/86/41/484508641.db2.gz LINJIHRQRPBBIP-UHFFFAOYSA-N -1 0 358.405 -0.092 20 0 FBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1n[nH]c(SCCO)n1 ZINC000629972777 484518284 /nfs/dbraw/zinc/51/82/84/484518284.db2.gz VIWFENPQCOQWNH-UHFFFAOYSA-N -1 0 372.451 -0.363 20 0 FBADRM COCc1nc(=NC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)s[n-]1 ZINC000629979600 484522605 /nfs/dbraw/zinc/52/26/05/484522605.db2.gz HEVYLZOPWRCKHR-UHFFFAOYSA-N -1 0 357.436 -0.146 20 0 FBADRM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](O)[C@@H](O)C3)c2)no1 ZINC000630021575 484551254 /nfs/dbraw/zinc/55/12/54/484551254.db2.gz XPNDNYVUULGWED-STQMWFEESA-N -1 0 367.383 -0.039 20 0 FBADRM CN(C)S(=O)(=O)N1CC(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1 ZINC000630027376 484553057 /nfs/dbraw/zinc/55/30/57/484553057.db2.gz CECBERKLUYCEET-UHFFFAOYSA-N -1 0 367.387 -0.750 20 0 FBADRM O=C([O-])c1cnn(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000630103210 484524734 /nfs/dbraw/zinc/52/47/34/484524734.db2.gz SSVDZSIYGWONET-CHWSQXEVSA-N -1 0 371.415 -0.224 20 0 FBADRM O=C([O-])c1cnn(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000630103212 484524530 /nfs/dbraw/zinc/52/45/30/484524530.db2.gz SSVDZSIYGWONET-OLZOCXBDSA-N -1 0 371.415 -0.224 20 0 FBADRM O=C([O-])c1cnn(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000630103213 484525104 /nfs/dbraw/zinc/52/51/04/484525104.db2.gz SSVDZSIYGWONET-QWHCGFSZSA-N -1 0 371.415 -0.224 20 0 FBADRM O=C([O-])c1cnn(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000630103215 484525301 /nfs/dbraw/zinc/52/53/01/484525301.db2.gz SSVDZSIYGWONET-STQMWFEESA-N -1 0 371.415 -0.224 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)Cn2cc(C(=O)[O-])cn2)cc1 ZINC000630105551 484529984 /nfs/dbraw/zinc/52/99/84/484529984.db2.gz YBUBKBDIZNYXLY-UHFFFAOYSA-N -1 0 366.399 -0.053 20 0 FBADRM C[C@@H]1C[C@H](C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)O[C@H]1C(=O)[O-] ZINC000630105687 484529708 /nfs/dbraw/zinc/52/97/08/484529708.db2.gz CMCMXMCGRLHYSP-AAVRWANBSA-N -1 0 354.403 -0.038 20 0 FBADRM C[C@@H]1C[C@H](C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)O[C@H]1C(=O)[O-] ZINC000630105689 484529208 /nfs/dbraw/zinc/52/92/08/484529208.db2.gz CMCMXMCGRLHYSP-XJFOESAGSA-N -1 0 354.403 -0.038 20 0 FBADRM C[C@@H]1C[C@H](C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)O[C@H]1C(=O)[O-] ZINC000630105888 484529465 /nfs/dbraw/zinc/52/94/65/484529465.db2.gz CRJLTCOLFPOPIP-GAJTVXKRSA-N -1 0 363.370 -0.604 20 0 FBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000630106295 484528560 /nfs/dbraw/zinc/52/85/60/484528560.db2.gz IANDJKNBTVGZFW-LLVKDONJSA-N -1 0 350.375 -0.171 20 0 FBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000630106296 484527645 /nfs/dbraw/zinc/52/76/45/484527645.db2.gz IANDJKNBTVGZFW-NSHDSACASA-N -1 0 350.375 -0.171 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)Cn2cc(C(=O)[O-])cn2)cc1 ZINC000630106399 484528574 /nfs/dbraw/zinc/52/85/74/484528574.db2.gz KZJRVHXTRVUKMC-UHFFFAOYSA-N -1 0 366.399 -0.016 20 0 FBADRM Cc1ncc(C(=O)[O-])cc1C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000630106559 484528474 /nfs/dbraw/zinc/52/84/74/484528474.db2.gz FVTJZBKCVCWTLZ-UHFFFAOYSA-N -1 0 362.386 -0.103 20 0 FBADRM O=C([O-])c1cnn(CC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000630106856 484527635 /nfs/dbraw/zinc/52/76/35/484527635.db2.gz QIQZVRIIAUDDLN-GFCCVEGCSA-N -1 0 350.375 -0.321 20 0 FBADRM O=C([O-])c1cnn(CC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000630106858 484528100 /nfs/dbraw/zinc/52/81/00/484528100.db2.gz QIQZVRIIAUDDLN-LBPRGKRZSA-N -1 0 350.375 -0.321 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)CC1 ZINC000630106987 484527570 /nfs/dbraw/zinc/52/75/70/484527570.db2.gz JPVQMROJNAHNAD-SRVKXCTJSA-N -1 0 355.391 -0.940 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)CC2(C(=O)[O-])CCOCC2)CC1 ZINC000630107019 484528519 /nfs/dbraw/zinc/52/85/19/484528519.db2.gz KBSIIPCDTWDYBA-UHFFFAOYSA-N -1 0 369.418 -0.547 20 0 FBADRM O=C([O-])c1cnn(CC(=O)NCCS(=O)(=O)NCc2ccccc2)c1 ZINC000630109023 484531451 /nfs/dbraw/zinc/53/14/51/484531451.db2.gz ARCKKMHMLXKGNR-UHFFFAOYSA-N -1 0 366.399 -0.183 20 0 FBADRM Cc1ncc(C(=O)[O-])cc1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000630109337 484531264 /nfs/dbraw/zinc/53/12/64/484531264.db2.gz GISJQAXBDQMURK-UHFFFAOYSA-N -1 0 360.370 -0.349 20 0 FBADRM O=C([O-])C1(CC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCOCC1 ZINC000630109731 484531443 /nfs/dbraw/zinc/53/14/43/484531443.db2.gz MVHAFMIXSOVDDK-UHFFFAOYSA-N -1 0 367.402 -0.793 20 0 FBADRM CCCS(=O)(=O)NC1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC000630109894 484529860 /nfs/dbraw/zinc/52/98/60/484529860.db2.gz OXZJHQPRCMEUTN-UHFFFAOYSA-N -1 0 358.420 -0.098 20 0 FBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000630110469 484531230 /nfs/dbraw/zinc/53/12/30/484531230.db2.gz DGKHCSPPLDZNNJ-UHFFFAOYSA-N -1 0 363.374 -0.975 20 0 FBADRM Cc1ncc(C(=O)[O-])cc1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000630110481 484530762 /nfs/dbraw/zinc/53/07/62/484530762.db2.gz DICSFPKQONFQCC-UHFFFAOYSA-N -1 0 374.397 -0.005 20 0 FBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000630110884 484532774 /nfs/dbraw/zinc/53/27/74/484532774.db2.gz ZERXALVSHAAAQZ-UHFFFAOYSA-N -1 0 366.399 -0.032 20 0 FBADRM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC000630111288 484533073 /nfs/dbraw/zinc/53/30/73/484533073.db2.gz NTUWDBBLOMQMDB-NEPJUHHUSA-N -1 0 352.391 -0.029 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC000630111290 484533054 /nfs/dbraw/zinc/53/30/54/484533054.db2.gz NTUWDBBLOMQMDB-NWDGAFQWSA-N -1 0 352.391 -0.029 20 0 FBADRM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC000630111291 484532271 /nfs/dbraw/zinc/53/22/71/484532271.db2.gz NTUWDBBLOMQMDB-RYUDHWBXSA-N -1 0 352.391 -0.029 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC000630111318 484532849 /nfs/dbraw/zinc/53/28/49/484532849.db2.gz NTUWDBBLOMQMDB-VXGBXAGGSA-N -1 0 352.391 -0.029 20 0 FBADRM COCCCNC(=O)C1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC000630111369 484533046 /nfs/dbraw/zinc/53/30/46/484533046.db2.gz OKEQVGHRAUXVLA-UHFFFAOYSA-N -1 0 352.391 -0.027 20 0 FBADRM C[C@@H]1C[C@H](C(=O)NCCCn2nc3n(c2=O)CCCC3)O[C@H]1C(=O)[O-] ZINC000630111986 484530898 /nfs/dbraw/zinc/53/08/98/484530898.db2.gz VGUGWNKAOGEEQC-NQBHXWOUSA-N -1 0 352.391 -0.234 20 0 FBADRM C[C@@H]1C[C@H](C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)O[C@H]1C(=O)[O-] ZINC000630112112 484530651 /nfs/dbraw/zinc/53/06/51/484530651.db2.gz WSBGZXHPIVTKPH-JHJVBQTASA-N -1 0 367.402 -0.842 20 0 FBADRM O=C([O-])c1cncc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 ZINC000630112142 484530591 /nfs/dbraw/zinc/53/05/91/484530591.db2.gz XIUVKQUMRQKVAH-UHFFFAOYSA-N -1 0 360.370 -0.313 20 0 FBADRM C[C@@H]1C[C@H](C(=O)NCCNS(=O)(=O)c2ccccc2)O[C@H]1C(=O)[O-] ZINC000630113963 484533898 /nfs/dbraw/zinc/53/38/98/484533898.db2.gz YLLKUUYUESJPSX-RAIGVLPGSA-N -1 0 356.400 -0.041 20 0 FBADRM O=C([O-])c1cncc(C(=O)NCCS(=O)(=O)N2CCSCC2)c1 ZINC000630115342 484534173 /nfs/dbraw/zinc/53/41/73/484534173.db2.gz ABRKBZFFASDAFD-UHFFFAOYSA-N -1 0 359.429 -0.112 20 0 FBADRM C[C@@H](NC(=O)c1cncc(C(=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000630115346 484533761 /nfs/dbraw/zinc/53/37/61/484533761.db2.gz AGTPYNFKKGPZHY-SECBINFHSA-N -1 0 355.372 -0.845 20 0 FBADRM C[C@H](NC(=O)c1cncc(C(=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000630115347 484534392 /nfs/dbraw/zinc/53/43/92/484534392.db2.gz AGTPYNFKKGPZHY-VIFPVBQESA-N -1 0 355.372 -0.845 20 0 FBADRM C[C@@H]1C[C@H](C(=O)NCCS(=O)(=O)N2CCSCC2)O[C@H]1C(=O)[O-] ZINC000630115784 484535229 /nfs/dbraw/zinc/53/52/29/484535229.db2.gz JOSDULGPMIUTDQ-GMTAPVOTSA-N -1 0 366.461 -0.641 20 0 FBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000630115837 484535606 /nfs/dbraw/zinc/53/56/06/484535606.db2.gz KMAFPMNHMUGWDZ-UHFFFAOYSA-N -1 0 362.433 -0.773 20 0 FBADRM Cc1cc(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)oc1C(=O)[O-] ZINC000630116051 484535672 /nfs/dbraw/zinc/53/56/72/484535672.db2.gz MXUGDVZNPCJWRC-SECBINFHSA-N -1 0 358.372 -0.338 20 0 FBADRM Cc1cc(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)oc1C(=O)[O-] ZINC000630116054 484534901 /nfs/dbraw/zinc/53/49/01/484534901.db2.gz MXUGDVZNPCJWRC-VIFPVBQESA-N -1 0 358.372 -0.338 20 0 FBADRM Cc1ncc(C(=O)[O-])cc1C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000630116178 484535988 /nfs/dbraw/zinc/53/59/88/484535988.db2.gz OJQFAALBRHLASK-JTQLQIEISA-N -1 0 369.399 -0.536 20 0 FBADRM Cc1ncc(C(=O)[O-])cc1C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000630116182 484535950 /nfs/dbraw/zinc/53/59/50/484535950.db2.gz OJQFAALBRHLASK-SNVBAGLBSA-N -1 0 369.399 -0.536 20 0 FBADRM Cn1cc(C(=O)NCC2CCN(C(=O)Cn3cc(C(=O)[O-])cn3)CC2)cn1 ZINC000630116472 484534955 /nfs/dbraw/zinc/53/49/55/484534955.db2.gz YLFNTHDWGPMGAH-UHFFFAOYSA-N -1 0 374.401 -0.017 20 0 FBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC000630117103 484533691 /nfs/dbraw/zinc/53/36/91/484533691.db2.gz NJRBRLWZCTTXSY-UHFFFAOYSA-N -1 0 358.420 -0.146 20 0 FBADRM O=C([O-])c1cnn(CC(=O)NCCS(=O)(=O)N2CCSCC2)c1 ZINC000630117180 484533962 /nfs/dbraw/zinc/53/39/62/484533962.db2.gz ZQWSJXYMALTOAK-UHFFFAOYSA-N -1 0 362.433 -0.924 20 0 FBADRM CCN(C1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)CC1)S(C)(=O)=O ZINC000630117382 484534094 /nfs/dbraw/zinc/53/40/94/484534094.db2.gz RIPIOYRAQJCXOT-UHFFFAOYSA-N -1 0 358.420 -0.146 20 0 FBADRM C[C@@H]1C[C@H](C(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)O[C@H]1C(=O)[O-] ZINC000630118192 484533656 /nfs/dbraw/zinc/53/36/56/484533656.db2.gz WZOWYLLWHCGURF-MPKXVKKWSA-N -1 0 363.370 -0.050 20 0 FBADRM Cc1ncc(C(=O)[O-])cc1C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000630123366 484538616 /nfs/dbraw/zinc/53/86/16/484538616.db2.gz PRYPBBVFVPLMKC-UHFFFAOYSA-N -1 0 368.371 -0.074 20 0 FBADRM O=C([O-])c1cnn(CC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000630151483 484563088 /nfs/dbraw/zinc/56/30/88/484563088.db2.gz AYSUMPKGVGBCFY-UHFFFAOYSA-N -1 0 356.404 -0.346 20 0 FBADRM C[C@@H]1C[C@H](C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)O[C@H]1C(=O)[O-] ZINC000630151843 484563168 /nfs/dbraw/zinc/56/31/68/484563168.db2.gz CXVKERYKSFPJJV-OASPWFOLSA-N -1 0 360.432 -0.063 20 0 FBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)COCc1ccnn1C ZINC000630155296 484564192 /nfs/dbraw/zinc/56/41/92/484564192.db2.gz GZYBGTSYAGHPEH-GFCCVEGCSA-N -1 0 352.391 -0.282 20 0 FBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)COCc1ccnn1C ZINC000630155299 484564629 /nfs/dbraw/zinc/56/46/29/484564629.db2.gz GZYBGTSYAGHPEH-LBPRGKRZSA-N -1 0 352.391 -0.282 20 0 FBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1ccnc2c1nnn2C ZINC000630155848 484564114 /nfs/dbraw/zinc/56/41/14/484564114.db2.gz JIQWSTJZCDMFBT-JTQLQIEISA-N -1 0 360.374 -0.242 20 0 FBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1ccnc2c1nnn2C ZINC000630155849 484564617 /nfs/dbraw/zinc/56/46/17/484564617.db2.gz JIQWSTJZCDMFBT-SNVBAGLBSA-N -1 0 360.374 -0.242 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)Cn2cc(C(=O)[O-])cn2)s1 ZINC000630164483 484569337 /nfs/dbraw/zinc/56/93/37/484569337.db2.gz WZKZEJPMIRYXIB-UHFFFAOYSA-N -1 0 358.401 -0.133 20 0 FBADRM COCC1(C(=O)[O-])CCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000630167367 484569897 /nfs/dbraw/zinc/56/98/97/484569897.db2.gz SJHBAAKOKMUPPX-LBPRGKRZSA-N -1 0 362.448 -0.002 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000630180664 484573826 /nfs/dbraw/zinc/57/38/26/484573826.db2.gz DNCBLAMGNSRHST-SWLSCSKDSA-N -1 0 362.448 -0.002 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000630180665 484573734 /nfs/dbraw/zinc/57/37/34/484573734.db2.gz DNCBLAMGNSRHST-WFASDCNBSA-N -1 0 362.448 -0.002 20 0 FBADRM O=C([O-])c1cnn(CC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)c1 ZINC000630196602 484583361 /nfs/dbraw/zinc/58/33/61/484583361.db2.gz GYYOEDFXOCSJSR-UHFFFAOYSA-N -1 0 370.431 -0.002 20 0 FBADRM Cc1ncc(C(=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000630206142 484589259 /nfs/dbraw/zinc/58/92/59/484589259.db2.gz HUZSOBNHAUFIFT-UHFFFAOYSA-N -1 0 356.404 -0.348 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)CC2(C(=O)[O-])CCOCC2)CC1 ZINC000630207849 484588885 /nfs/dbraw/zinc/58/88/85/484588885.db2.gz SMKUDNSLQWIGMT-UHFFFAOYSA-N -1 0 363.436 -0.792 20 0 FBADRM O=C([O-])c1cnn(CC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 ZINC000630213617 484594456 /nfs/dbraw/zinc/59/44/56/484594456.db2.gz AZQRSGWRUHBUSA-GFCCVEGCSA-N -1 0 356.404 -0.392 20 0 FBADRM O=C([O-])c1cnn(CC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)c1 ZINC000630213618 484594275 /nfs/dbraw/zinc/59/42/75/484594275.db2.gz AZQRSGWRUHBUSA-LBPRGKRZSA-N -1 0 356.404 -0.392 20 0 FBADRM C[C@@H]1C[C@H](C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)O[C@H]1C(=O)[O-] ZINC000630213763 484592618 /nfs/dbraw/zinc/59/26/18/484592618.db2.gz GDXOXSQENLDECU-FDYHWXHSSA-N -1 0 360.432 -0.109 20 0 FBADRM C[C@@H]1C[C@H](C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)O[C@H]1C(=O)[O-] ZINC000630213765 484591943 /nfs/dbraw/zinc/59/19/43/484591943.db2.gz GDXOXSQENLDECU-YVECIDJPSA-N -1 0 360.432 -0.109 20 0 FBADRM O=C([O-])c1cnn(CC(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000630214110 484592190 /nfs/dbraw/zinc/59/21/90/484592190.db2.gz ALQRCQOBDBGMEJ-UHFFFAOYSA-N -1 0 356.404 -0.392 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC000630214677 484594198 /nfs/dbraw/zinc/59/41/98/484594198.db2.gz ILOLFLDZXCKICA-UHFFFAOYSA-N -1 0 374.419 -0.908 20 0 FBADRM C[C@@H]1C[C@H](C(=O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)O[C@H]1C(=O)[O-] ZINC000630214738 484594823 /nfs/dbraw/zinc/59/48/23/484594823.db2.gz HAZDPRWHHOKYMY-FDYHWXHSSA-N -1 0 362.448 -0.005 20 0 FBADRM C[C@@H]1C[C@H](C(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)O[C@H]1C(=O)[O-] ZINC000630214740 484594430 /nfs/dbraw/zinc/59/44/30/484594430.db2.gz HAZDPRWHHOKYMY-YVECIDJPSA-N -1 0 362.448 -0.005 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC000630215079 484594309 /nfs/dbraw/zinc/59/43/09/484594309.db2.gz KSYPMMXJRKJHSG-UHFFFAOYSA-N -1 0 371.415 -0.096 20 0 FBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000630215258 484594324 /nfs/dbraw/zinc/59/43/24/484594324.db2.gz LKOLOEDMKZLOEO-UHFFFAOYSA-N -1 0 356.404 -0.242 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)c2cc(C(=O)[O-])nn2C)CC1 ZINC000630216537 484595539 /nfs/dbraw/zinc/59/55/39/484595539.db2.gz UPIHRXYICDNROZ-UHFFFAOYSA-N -1 0 374.419 -0.758 20 0 FBADRM C[C@@H]1C[C@H](C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)O[C@H]1C(=O)[O-] ZINC000630216739 484595556 /nfs/dbraw/zinc/59/55/56/484595556.db2.gz WXFKTECSOZLJEK-RAIGVLPGSA-N -1 0 360.432 -0.109 20 0 FBADRM CN(C[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])cn2)C1)S(C)(=O)=O ZINC000630216987 484596109 /nfs/dbraw/zinc/59/61/09/484596109.db2.gz WXGNELGIZIDEQN-LLVKDONJSA-N -1 0 358.420 -0.289 20 0 FBADRM CN(C[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])cn2)C1)S(C)(=O)=O ZINC000630216989 484595824 /nfs/dbraw/zinc/59/58/24/484595824.db2.gz WXGNELGIZIDEQN-NSHDSACASA-N -1 0 358.420 -0.289 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N2CCSC[C@@H](C(=O)[O-])C2)C1 ZINC000630218846 484597594 /nfs/dbraw/zinc/59/75/94/484597594.db2.gz TXMRPZUIVQURFL-QWRGUYRKSA-N -1 0 350.462 -0.066 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N2CCSC[C@H](C(=O)[O-])C2)C1 ZINC000630218848 484596602 /nfs/dbraw/zinc/59/66/02/484596602.db2.gz TXMRPZUIVQURFL-WDEREUQCSA-N -1 0 350.462 -0.066 20 0 FBADRM CCn1nncc1CNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000630228508 484599628 /nfs/dbraw/zinc/59/96/28/484599628.db2.gz JFLRMCGOPMSFSQ-UHFFFAOYSA-N -1 0 367.387 -0.409 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC000630233797 484602596 /nfs/dbraw/zinc/60/25/96/484602596.db2.gz XWZKUCLCRXKVIY-UHFFFAOYSA-N -1 0 358.416 -0.114 20 0 FBADRM O=C([O-])C1(CC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CCOCC1 ZINC000630236233 484605178 /nfs/dbraw/zinc/60/51/78/484605178.db2.gz OBKGWIFDMIXBOT-UHFFFAOYSA-N -1 0 360.432 -0.106 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N1CCc2occc2[C@H]1C(=O)[O-] ZINC000630236957 484604674 /nfs/dbraw/zinc/60/46/74/484604674.db2.gz SXNCKDGWHAIWLF-HNNXBMFYSA-N -1 0 351.359 -0.178 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N1CCc2occc2[C@@H]1C(=O)[O-] ZINC000630236960 484604699 /nfs/dbraw/zinc/60/46/99/484604699.db2.gz SXNCKDGWHAIWLF-OAHLLOKOSA-N -1 0 351.359 -0.178 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCc2occc2[C@@H]1C(=O)[O-] ZINC000630237482 484605269 /nfs/dbraw/zinc/60/52/69/484605269.db2.gz BPWBAYFPSZBZJM-CYBMUJFWSA-N -1 0 360.388 -0.254 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCc2occc2[C@H]1C(=O)[O-] ZINC000630237485 484605388 /nfs/dbraw/zinc/60/53/88/484605388.db2.gz BPWBAYFPSZBZJM-ZDUSSCGKSA-N -1 0 360.388 -0.254 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000630238712 484605064 /nfs/dbraw/zinc/60/50/64/484605064.db2.gz LSBQQHAOTNYWLQ-UHFFFAOYSA-N -1 0 351.334 -0.339 20 0 FBADRM COc1cccc(C[C@@H](NC(=O)CN2CCCS2(=O)=O)C(=O)[O-])c1 ZINC000630242370 484605907 /nfs/dbraw/zinc/60/59/07/484605907.db2.gz IMHZWUFCJNYDKS-CYBMUJFWSA-N -1 0 356.400 -0.157 20 0 FBADRM COc1cccc(C[C@H](NC(=O)CN2CCCS2(=O)=O)C(=O)[O-])c1 ZINC000630242374 484605836 /nfs/dbraw/zinc/60/58/36/484605836.db2.gz IMHZWUFCJNYDKS-ZDUSSCGKSA-N -1 0 356.400 -0.157 20 0 FBADRM COc1cccc(C[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C(=O)[O-])c1 ZINC000630245114 484607352 /nfs/dbraw/zinc/60/73/52/484607352.db2.gz UXVMEXDMNYUTHM-CHWSQXEVSA-N -1 0 356.400 -0.159 20 0 FBADRM COc1cccc(C[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C(=O)[O-])c1 ZINC000630245122 484607527 /nfs/dbraw/zinc/60/75/27/484607527.db2.gz UXVMEXDMNYUTHM-OLZOCXBDSA-N -1 0 356.400 -0.159 20 0 FBADRM COc1cccc(C[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C(=O)[O-])c1 ZINC000630245125 484607216 /nfs/dbraw/zinc/60/72/16/484607216.db2.gz UXVMEXDMNYUTHM-QWHCGFSZSA-N -1 0 356.400 -0.159 20 0 FBADRM COc1cccc(C[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C(=O)[O-])c1 ZINC000630245128 484607463 /nfs/dbraw/zinc/60/74/63/484607463.db2.gz UXVMEXDMNYUTHM-STQMWFEESA-N -1 0 356.400 -0.159 20 0 FBADRM COc1cccc(C[C@@H](NC(=O)CNC(=O)CNC(C)=O)C(=O)[O-])c1 ZINC000630245308 484609171 /nfs/dbraw/zinc/60/91/71/484609171.db2.gz ZSVNEQBCYULGMP-CYBMUJFWSA-N -1 0 351.359 -0.941 20 0 FBADRM COc1cccc(C[C@H](NC(=O)CNC(=O)CNC(C)=O)C(=O)[O-])c1 ZINC000630245309 484609180 /nfs/dbraw/zinc/60/91/80/484609180.db2.gz ZSVNEQBCYULGMP-ZDUSSCGKSA-N -1 0 351.359 -0.941 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000630245960 484608695 /nfs/dbraw/zinc/60/86/95/484608695.db2.gz OKSOJCSSRAXRPX-UHFFFAOYSA-N -1 0 368.415 -0.200 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC000630251419 484615987 /nfs/dbraw/zinc/61/59/87/484615987.db2.gz YWVRRVTYVKLNKD-AWEZNQCLSA-N -1 0 358.372 -0.342 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC000630251421 484615829 /nfs/dbraw/zinc/61/58/29/484615829.db2.gz YWVRRVTYVKLNKD-CQSZACIVSA-N -1 0 358.372 -0.342 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)ccc1OC ZINC000630251666 484615669 /nfs/dbraw/zinc/61/56/69/484615669.db2.gz ZZTMZADKTJZAFH-HNNXBMFYSA-N -1 0 372.399 -0.081 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CC[C@](OC)(C(=O)[O-])C2)ccc1OC ZINC000630251672 484616020 /nfs/dbraw/zinc/61/60/20/484616020.db2.gz ZZTMZADKTJZAFH-OAHLLOKOSA-N -1 0 372.399 -0.081 20 0 FBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CNS(=O)(=O)CCOC(C)C)C1 ZINC000630251972 484616574 /nfs/dbraw/zinc/61/65/74/484616574.db2.gz KLELWGLFVJCKOS-CYBMUJFWSA-N -1 0 352.409 -0.967 20 0 FBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CNS(=O)(=O)CCOC(C)C)C1 ZINC000630251973 484617074 /nfs/dbraw/zinc/61/70/74/484617074.db2.gz KLELWGLFVJCKOS-ZDUSSCGKSA-N -1 0 352.409 -0.967 20 0 FBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000630253618 484616764 /nfs/dbraw/zinc/61/67/64/484616764.db2.gz FVKDJPYZYSJPOE-INIZCTEOSA-N -1 0 350.327 -0.153 20 0 FBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000630253624 484617395 /nfs/dbraw/zinc/61/73/95/484617395.db2.gz FVKDJPYZYSJPOE-MRXNPFEDSA-N -1 0 350.327 -0.153 20 0 FBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)C1 ZINC000630254088 484617052 /nfs/dbraw/zinc/61/70/52/484617052.db2.gz MAXURJVLFMVWKD-AWEZNQCLSA-N -1 0 357.388 -0.596 20 0 FBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)C1 ZINC000630254089 484616926 /nfs/dbraw/zinc/61/69/26/484616926.db2.gz MAXURJVLFMVWKD-CQSZACIVSA-N -1 0 357.388 -0.596 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)[C@@H](C)C(=O)[O-])c1 ZINC000630255887 484618201 /nfs/dbraw/zinc/61/82/01/484618201.db2.gz TUILJXARZRFNBI-NSHDSACASA-N -1 0 373.431 -0.190 20 0 FBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)C1 ZINC000630256735 484618716 /nfs/dbraw/zinc/61/87/16/484618716.db2.gz WWXZTAVRBZNYSO-AWEZNQCLSA-N -1 0 359.404 -0.409 20 0 FBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)C1 ZINC000630256738 484618210 /nfs/dbraw/zinc/61/82/10/484618210.db2.gz WWXZTAVRBZNYSO-CQSZACIVSA-N -1 0 359.404 -0.409 20 0 FBADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000630257222 484618538 /nfs/dbraw/zinc/61/85/38/484618538.db2.gz MSJCVCAOGWTJJR-JTQLQIEISA-N -1 0 359.404 -0.409 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC000630257812 484618754 /nfs/dbraw/zinc/61/87/54/484618754.db2.gz FMKRJNHVJZNWHW-MRVPVSSYSA-N -1 0 355.322 -0.132 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC000630257813 484618519 /nfs/dbraw/zinc/61/85/19/484618519.db2.gz FMKRJNHVJZNWHW-QMMMGPOBSA-N -1 0 355.322 -0.132 20 0 FBADRM C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)C[C@@H](C(=O)[O-])O1 ZINC000630261259 484618139 /nfs/dbraw/zinc/61/81/39/484618139.db2.gz GTELTTSWDLCURQ-SKDRFNHKSA-N -1 0 359.404 -0.411 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)NCCOCC(=O)[O-])cc1 ZINC000630261773 484618569 /nfs/dbraw/zinc/61/85/69/484618569.db2.gz BEZOLPYQMKCYDA-UHFFFAOYSA-N -1 0 360.388 -0.558 20 0 FBADRM O=C([O-])COCCNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000630261818 484618722 /nfs/dbraw/zinc/61/87/22/484618722.db2.gz DJAVLIHUXKPHOJ-UHFFFAOYSA-N -1 0 372.399 -0.462 20 0 FBADRM Cc1nc(C(=O)NCCOCC(=O)[O-])nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000630261995 484618374 /nfs/dbraw/zinc/61/83/74/484618374.db2.gz GWSHMMOUDMSNMD-UHFFFAOYSA-N -1 0 363.256 -0.456 20 0 FBADRM COc1ccc(C(=O)NCCOCC(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000630262171 484618462 /nfs/dbraw/zinc/61/84/62/484618462.db2.gz LDDKJUYOVXYTGO-UHFFFAOYSA-N -1 0 360.388 -0.224 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)NCCOCC(=O)[O-])c1 ZINC000630262194 484618086 /nfs/dbraw/zinc/61/80/86/484618086.db2.gz JJMXFEPDOAGMOA-UHFFFAOYSA-N -1 0 360.388 -0.558 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCOCC(=O)[O-])c1 ZINC000630262208 484618668 /nfs/dbraw/zinc/61/86/68/484618668.db2.gz KCTYVAAFUJUBDX-UHFFFAOYSA-N -1 0 374.415 -0.249 20 0 FBADRM COc1ccccc1N1CC[C@H](NC(=O)Cn2cc(C(=O)[O-])nn2)C1=O ZINC000630262318 484618470 /nfs/dbraw/zinc/61/84/70/484618470.db2.gz CAIDLULFMPIPOZ-JTQLQIEISA-N -1 0 359.342 -0.093 20 0 FBADRM COc1ccccc1N1CC[C@@H](NC(=O)Cn2cc(C(=O)[O-])nn2)C1=O ZINC000630262319 484618181 /nfs/dbraw/zinc/61/81/81/484618181.db2.gz CAIDLULFMPIPOZ-SNVBAGLBSA-N -1 0 359.342 -0.093 20 0 FBADRM O=C([O-])COCCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000630262365 484617937 /nfs/dbraw/zinc/61/79/37/484617937.db2.gz MBCKFTBMDUAABA-UHFFFAOYSA-N -1 0 372.399 -0.462 20 0 FBADRM COc1ccc(C(=O)NCCOCC(=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000630262738 484618273 /nfs/dbraw/zinc/61/82/73/484618273.db2.gz PWAVISOQJAPXBM-UHFFFAOYSA-N -1 0 372.399 -0.033 20 0 FBADRM O=C([O-])COCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000630262784 484618436 /nfs/dbraw/zinc/61/84/36/484618436.db2.gz QOXXYTNSSBXCDI-UHFFFAOYSA-N -1 0 362.360 -0.869 20 0 FBADRM O=C([O-])COCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000630263539 484617999 /nfs/dbraw/zinc/61/79/99/484617999.db2.gz ZKSSTERXVODTHN-UHFFFAOYSA-N -1 0 372.399 -0.462 20 0 FBADRM COc1ccc(CN2CC[C@@H](NC(=O)Cn3cc(C(=O)[O-])nn3)C2=O)cc1 ZINC000630264370 484618707 /nfs/dbraw/zinc/61/87/07/484618707.db2.gz XJTSRUCGGTWJNJ-CYBMUJFWSA-N -1 0 373.369 -0.098 20 0 FBADRM COc1ccc(CN2CC[C@H](NC(=O)Cn3cc(C(=O)[O-])nn3)C2=O)cc1 ZINC000630264375 484618132 /nfs/dbraw/zinc/61/81/32/484618132.db2.gz XJTSRUCGGTWJNJ-ZDUSSCGKSA-N -1 0 373.369 -0.098 20 0 FBADRM O=C([O-])[C@@H](C[C@H]1CCCOC1)NC(=O)CC1(n2cnnn2)CCOCC1 ZINC000630268952 484619889 /nfs/dbraw/zinc/61/98/89/484619889.db2.gz CZWOIPUVPDFVSC-CHWSQXEVSA-N -1 0 367.406 -0.045 20 0 FBADRM O=C([O-])[C@H](C[C@H]1CCCOC1)NC(=O)CC1(n2cnnn2)CCOCC1 ZINC000630268953 484619399 /nfs/dbraw/zinc/61/93/99/484619399.db2.gz CZWOIPUVPDFVSC-OLZOCXBDSA-N -1 0 367.406 -0.045 20 0 FBADRM O=C([O-])[C@@H](C[C@@H]1CCCOC1)NC(=O)CC1(n2cnnn2)CCOCC1 ZINC000630268954 484619373 /nfs/dbraw/zinc/61/93/73/484619373.db2.gz CZWOIPUVPDFVSC-QWHCGFSZSA-N -1 0 367.406 -0.045 20 0 FBADRM O=C([O-])[C@H](C[C@@H]1CCCOC1)NC(=O)CC1(n2cnnn2)CCOCC1 ZINC000630268955 484620160 /nfs/dbraw/zinc/62/01/60/484620160.db2.gz CZWOIPUVPDFVSC-STQMWFEESA-N -1 0 367.406 -0.045 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000630275392 484621472 /nfs/dbraw/zinc/62/14/72/484621472.db2.gz VJEZECWFJLBASX-NEPJUHHUSA-N -1 0 366.436 -0.672 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000630275396 484621288 /nfs/dbraw/zinc/62/12/88/484621288.db2.gz VJEZECWFJLBASX-NWDGAFQWSA-N -1 0 366.436 -0.672 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000630275397 484620642 /nfs/dbraw/zinc/62/06/42/484620642.db2.gz VJEZECWFJLBASX-RYUDHWBXSA-N -1 0 366.436 -0.672 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000630275399 484620799 /nfs/dbraw/zinc/62/07/99/484620799.db2.gz VJEZECWFJLBASX-VXGBXAGGSA-N -1 0 366.436 -0.672 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)C3CC(C(=O)[O-])C3)CC2)cn1 ZINC000630294276 484626737 /nfs/dbraw/zinc/62/67/37/484626737.db2.gz JYXYYELJRRZXKR-UHFFFAOYSA-N -1 0 370.431 -0.200 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cn1 ZINC000630294512 484627043 /nfs/dbraw/zinc/62/70/43/484627043.db2.gz NIRCOZQPOPUZSN-NEPJUHHUSA-N -1 0 356.404 -0.590 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)cn1 ZINC000630294513 484627455 /nfs/dbraw/zinc/62/74/55/484627455.db2.gz NIRCOZQPOPUZSN-NWDGAFQWSA-N -1 0 356.404 -0.590 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)cn1 ZINC000630294514 484627172 /nfs/dbraw/zinc/62/71/72/484627172.db2.gz NIRCOZQPOPUZSN-RYUDHWBXSA-N -1 0 356.404 -0.590 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)cn1 ZINC000630294515 484627700 /nfs/dbraw/zinc/62/77/00/484627700.db2.gz NIRCOZQPOPUZSN-VXGBXAGGSA-N -1 0 356.404 -0.590 20 0 FBADRM CN(C)S(=O)(=O)N1CCCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000630302521 484630023 /nfs/dbraw/zinc/63/00/23/484630023.db2.gz DQWJHDPVYBALFU-UHFFFAOYSA-N -1 0 356.404 -0.266 20 0 FBADRM CN(C)S(=O)(=O)N1CCCN(C(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC000630302893 484629817 /nfs/dbraw/zinc/62/98/17/484629817.db2.gz KIQZTQNTFWLDAC-UHFFFAOYSA-N -1 0 356.404 -0.266 20 0 FBADRM C[C@@H]1C[C@H](C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)O[C@H]1C(=O)[O-] ZINC000630303139 484629980 /nfs/dbraw/zinc/62/99/80/484629980.db2.gz PQGIFKKXEDCBGT-IJLUTSLNSA-N -1 0 363.436 -0.795 20 0 FBADRM CN(C)S(=O)(=O)N1CCCN(C(=O)c2cccc(C(=O)[O-])n2)CC1 ZINC000630303308 484630320 /nfs/dbraw/zinc/63/03/20/484630320.db2.gz TUNNTHMUKOKXMI-UHFFFAOYSA-N -1 0 356.404 -0.266 20 0 FBADRM CN(C)S(=O)(=O)N1CCCN(C(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC000630303342 484629904 /nfs/dbraw/zinc/62/99/04/484629904.db2.gz UPRSXOREOVKGII-UHFFFAOYSA-N -1 0 356.404 -0.266 20 0 FBADRM CN(C)S(=O)(=O)N1CCCN(C(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC000630303404 484629910 /nfs/dbraw/zinc/62/99/10/484629910.db2.gz WSGYFHSGTMXLSV-UHFFFAOYSA-N -1 0 356.404 -0.266 20 0 FBADRM CN(C)S(=O)(=O)N1CCCN(C(=O)c2cc(C(=O)[O-])ccn2)CC1 ZINC000630303492 484630635 /nfs/dbraw/zinc/63/06/35/484630635.db2.gz ZFTKDQNRAPHRRX-UHFFFAOYSA-N -1 0 356.404 -0.266 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000630306803 484631223 /nfs/dbraw/zinc/63/12/23/484631223.db2.gz CQCKLYNJWJCKLO-BXUZGUMPSA-N -1 0 350.437 -0.100 20 0 FBADRM CO[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccnc2)[C@](C)(C(=O)[O-])C1 ZINC000630307940 484631814 /nfs/dbraw/zinc/63/18/14/484631814.db2.gz AHAXENIGYDHBGY-ABAIWWIYSA-N -1 0 371.415 -0.207 20 0 FBADRM CO[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccnc2)[C@@](C)(C(=O)[O-])C1 ZINC000630307946 484631774 /nfs/dbraw/zinc/63/17/74/484631774.db2.gz AHAXENIGYDHBGY-IAQYHMDHSA-N -1 0 371.415 -0.207 20 0 FBADRM CO[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccnc2)[C@](C)(C(=O)[O-])C1 ZINC000630307949 484632098 /nfs/dbraw/zinc/63/20/98/484632098.db2.gz AHAXENIGYDHBGY-NHYWBVRUSA-N -1 0 371.415 -0.207 20 0 FBADRM CO[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccnc2)[C@@](C)(C(=O)[O-])C1 ZINC000630307951 484631761 /nfs/dbraw/zinc/63/17/61/484631761.db2.gz AHAXENIGYDHBGY-XHDPSFHLSA-N -1 0 371.415 -0.207 20 0 FBADRM CO[C@H]1CN(C(=O)CNS(=O)(=O)CCOC(C)C)[C@@](C)(C(=O)[O-])C1 ZINC000630308610 484634693 /nfs/dbraw/zinc/63/46/93/484634693.db2.gz FUDRYELARGAUDF-BXUZGUMPSA-N -1 0 366.436 -0.579 20 0 FBADRM CO[C@@H]1CN(C(=O)CNS(=O)(=O)CCOC(C)C)[C@](C)(C(=O)[O-])C1 ZINC000630308611 484634785 /nfs/dbraw/zinc/63/47/85/484634785.db2.gz FUDRYELARGAUDF-FZMZJTMJSA-N -1 0 366.436 -0.579 20 0 FBADRM CO[C@H]1CN(C(=O)CNS(=O)(=O)CCOC(C)C)[C@](C)(C(=O)[O-])C1 ZINC000630308612 484634989 /nfs/dbraw/zinc/63/49/89/484634989.db2.gz FUDRYELARGAUDF-RISCZKNCSA-N -1 0 366.436 -0.579 20 0 FBADRM CO[C@@H]1CN(C(=O)CNS(=O)(=O)CCOC(C)C)[C@@](C)(C(=O)[O-])C1 ZINC000630308613 484634791 /nfs/dbraw/zinc/63/47/91/484634791.db2.gz FUDRYELARGAUDF-SMDDNHRTSA-N -1 0 366.436 -0.579 20 0 FBADRM CO[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)[C@](C)(C(=O)[O-])C1 ZINC000630309457 484635239 /nfs/dbraw/zinc/63/52/39/484635239.db2.gz FMRKJNGIAFLRLQ-BMIGLBTASA-N -1 0 373.431 -0.020 20 0 FBADRM CO[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)[C@](C)(C(=O)[O-])C1 ZINC000630309459 484634202 /nfs/dbraw/zinc/63/42/02/484634202.db2.gz FMRKJNGIAFLRLQ-BONVTDFDSA-N -1 0 373.431 -0.020 20 0 FBADRM CO[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)[C@@](C)(C(=O)[O-])C1 ZINC000630309461 484635156 /nfs/dbraw/zinc/63/51/56/484635156.db2.gz FMRKJNGIAFLRLQ-MEBBXXQBSA-N -1 0 373.431 -0.020 20 0 FBADRM CO[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)[C@@](C)(C(=O)[O-])C1 ZINC000630309463 484634430 /nfs/dbraw/zinc/63/44/30/484634430.db2.gz FMRKJNGIAFLRLQ-ZUZCIYMTSA-N -1 0 373.431 -0.020 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000630312747 484636181 /nfs/dbraw/zinc/63/61/81/484636181.db2.gz PBROIJNSICJMPP-GWCFXTLKSA-N -1 0 352.409 -0.967 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC000630312749 484635927 /nfs/dbraw/zinc/63/59/27/484635927.db2.gz PBROIJNSICJMPP-GXFFZTMASA-N -1 0 352.409 -0.967 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000630312752 484635974 /nfs/dbraw/zinc/63/59/74/484635974.db2.gz PBROIJNSICJMPP-MFKMUULPSA-N -1 0 352.409 -0.967 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC000630312763 484635983 /nfs/dbraw/zinc/63/59/83/484635983.db2.gz PBROIJNSICJMPP-ZWNOBZJWSA-N -1 0 352.409 -0.967 20 0 FBADRM CO[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)[C@@](C)(C(=O)[O-])C1 ZINC000630314566 484639781 /nfs/dbraw/zinc/63/97/81/484639781.db2.gz YQSOTOQVPKPCQK-LKFCYVNXSA-N -1 0 359.404 -0.031 20 0 FBADRM CO[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)[C@](C)(C(=O)[O-])C1 ZINC000630314569 484639990 /nfs/dbraw/zinc/63/99/90/484639990.db2.gz YQSOTOQVPKPCQK-OTYXRUKQSA-N -1 0 359.404 -0.031 20 0 FBADRM CO[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)[C@](C)(C(=O)[O-])C1 ZINC000630314571 484639879 /nfs/dbraw/zinc/63/98/79/484639879.db2.gz YQSOTOQVPKPCQK-XPTSAGLGSA-N -1 0 359.404 -0.031 20 0 FBADRM CO[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)[C@@](C)(C(=O)[O-])C1 ZINC000630314573 484639335 /nfs/dbraw/zinc/63/93/35/484639335.db2.gz YQSOTOQVPKPCQK-YMTOWFKASA-N -1 0 359.404 -0.031 20 0 FBADRM CO[C@H]1CN(C(=O)CC2(n3cnnn3)CCOCC2)[C@@](C)(C(=O)[O-])C1 ZINC000630316050 484641097 /nfs/dbraw/zinc/64/10/97/484641097.db2.gz JOZSMQQAZORXQN-BXUZGUMPSA-N -1 0 353.379 -0.341 20 0 FBADRM CO[C@@H]1CN(C(=O)CC2(n3cnnn3)CCOCC2)[C@](C)(C(=O)[O-])C1 ZINC000630316056 484641212 /nfs/dbraw/zinc/64/12/12/484641212.db2.gz JOZSMQQAZORXQN-FZMZJTMJSA-N -1 0 353.379 -0.341 20 0 FBADRM CO[C@H]1CN(C(=O)CC2(n3cnnn3)CCOCC2)[C@](C)(C(=O)[O-])C1 ZINC000630316057 484641175 /nfs/dbraw/zinc/64/11/75/484641175.db2.gz JOZSMQQAZORXQN-RISCZKNCSA-N -1 0 353.379 -0.341 20 0 FBADRM CO[C@@H]1CN(C(=O)CC2(n3cnnn3)CCOCC2)[C@@](C)(C(=O)[O-])C1 ZINC000630316058 484641115 /nfs/dbraw/zinc/64/11/15/484641115.db2.gz JOZSMQQAZORXQN-SMDDNHRTSA-N -1 0 353.379 -0.341 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)NC[C@]2(C(=O)[O-])CCCOC2)s1 ZINC000630334660 484642210 /nfs/dbraw/zinc/64/22/10/484642210.db2.gz CCJFPNUPQVFOJE-CYBMUJFWSA-N -1 0 362.429 -0.064 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(C(=O)[O-])CCCOC2)s1 ZINC000630334663 484641989 /nfs/dbraw/zinc/64/19/89/484641989.db2.gz CCJFPNUPQVFOJE-ZDUSSCGKSA-N -1 0 362.429 -0.064 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC000630335541 484641720 /nfs/dbraw/zinc/64/17/20/484641720.db2.gz PUNQAVSGEFTRDN-HNNXBMFYSA-N -1 0 372.399 -0.046 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC000630335549 484641978 /nfs/dbraw/zinc/64/19/78/484641978.db2.gz PUNQAVSGEFTRDN-OAHLLOKOSA-N -1 0 372.399 -0.046 20 0 FBADRM CN(CC(=O)NC[C@@]1(C(=O)[O-])CCCOC1)S(=O)(=O)c1cccnc1 ZINC000630335938 484642736 /nfs/dbraw/zinc/64/27/36/484642736.db2.gz BAMCAWYTLGNDCW-HNNXBMFYSA-N -1 0 371.415 -0.300 20 0 FBADRM CN(CC(=O)NC[C@]1(C(=O)[O-])CCCOC1)S(=O)(=O)c1cccnc1 ZINC000630335939 484642561 /nfs/dbraw/zinc/64/25/61/484642561.db2.gz BAMCAWYTLGNDCW-OAHLLOKOSA-N -1 0 371.415 -0.300 20 0 FBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC000630339089 484643606 /nfs/dbraw/zinc/64/36/06/484643606.db2.gz RIQHGVVJAVFFBH-HZMBPMFUSA-N -1 0 350.437 -0.052 20 0 FBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC000630339096 484644381 /nfs/dbraw/zinc/64/43/81/484644381.db2.gz RIQHGVVJAVFFBH-IINYFYTJSA-N -1 0 350.437 -0.052 20 0 FBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC000630339098 484643548 /nfs/dbraw/zinc/64/35/48/484643548.db2.gz RIQHGVVJAVFFBH-QMTHXVAHSA-N -1 0 350.437 -0.052 20 0 FBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC000630339099 484644021 /nfs/dbraw/zinc/64/40/21/484644021.db2.gz RIQHGVVJAVFFBH-YGRLFVJLSA-N -1 0 350.437 -0.052 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC000630339328 484644175 /nfs/dbraw/zinc/64/41/75/484644175.db2.gz IPTNPYRSKQKPLT-AWEZNQCLSA-N -1 0 366.436 -0.672 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC000630339332 484643903 /nfs/dbraw/zinc/64/39/03/484643903.db2.gz IPTNPYRSKQKPLT-CQSZACIVSA-N -1 0 366.436 -0.672 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)n(C)c1 ZINC000630340230 484643769 /nfs/dbraw/zinc/64/37/69/484643769.db2.gz OIOYNLDDNNZKFT-HNNXBMFYSA-N -1 0 373.431 -0.113 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)NC[C@]2(C(=O)[O-])CCCOC2)n(C)c1 ZINC000630340237 484643700 /nfs/dbraw/zinc/64/37/00/484643700.db2.gz OIOYNLDDNNZKFT-OAHLLOKOSA-N -1 0 373.431 -0.113 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)c1 ZINC000630342576 484643161 /nfs/dbraw/zinc/64/31/61/484643161.db2.gz XYLADBQCBUBIRJ-AWEZNQCLSA-N -1 0 359.404 -0.124 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)NC[C@]2(C(=O)[O-])CCCOC2)c1 ZINC000630342578 484643689 /nfs/dbraw/zinc/64/36/89/484643689.db2.gz XYLADBQCBUBIRJ-CQSZACIVSA-N -1 0 359.404 -0.124 20 0 FBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@H]1CC[C@H](C(=O)[O-])N1C1CC1 ZINC000630667678 484776429 /nfs/dbraw/zinc/77/64/29/484776429.db2.gz QTGGLXXRTOJJJC-CHWSQXEVSA-N -1 0 359.448 -0.440 20 0 FBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@H]1CC[C@@H](C(=O)[O-])N1C1CC1 ZINC000630667680 484777079 /nfs/dbraw/zinc/77/70/79/484777079.db2.gz QTGGLXXRTOJJJC-OLZOCXBDSA-N -1 0 359.448 -0.440 20 0 FBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@@H]1CC[C@H](C(=O)[O-])N1C1CC1 ZINC000630667681 484776517 /nfs/dbraw/zinc/77/65/17/484776517.db2.gz QTGGLXXRTOJJJC-QWHCGFSZSA-N -1 0 359.448 -0.440 20 0 FBADRM CN(CCN1CCCS1(=O)=O)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])N1C1CC1 ZINC000630667682 484776879 /nfs/dbraw/zinc/77/68/79/484776879.db2.gz QTGGLXXRTOJJJC-STQMWFEESA-N -1 0 359.448 -0.440 20 0 FBADRM O=C(CN1CCN(C(=O)CCc2nnn[n-]2)CC1)N1CCc2ccccc21 ZINC000630758747 484842649 /nfs/dbraw/zinc/84/26/49/484842649.db2.gz PGKGGSOAZICTHA-UHFFFAOYSA-N -1 0 369.429 -0.134 20 0 FBADRM COc1ccc(Cn2[n-]nnc2=NCCN2CCN(C(C)=O)CC2)cc1 ZINC000631058275 484842874 /nfs/dbraw/zinc/84/28/74/484842874.db2.gz QJWCZZBKYMOLDS-UHFFFAOYSA-N -1 0 359.434 -0.272 20 0 FBADRM O=C(COc1ccc(Br)cn1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000631619901 485014771 /nfs/dbraw/zinc/01/47/71/485014771.db2.gz AIXXAJPMMVINCV-SECBINFHSA-N -1 0 369.175 -0.015 20 0 FBADRM O=C(COc1ccc(Br)cn1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000631619902 485014745 /nfs/dbraw/zinc/01/47/45/485014745.db2.gz AIXXAJPMMVINCV-VIFPVBQESA-N -1 0 369.175 -0.015 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)CC1 ZINC000631721571 485017919 /nfs/dbraw/zinc/01/79/19/485017919.db2.gz NVOHIXQCXFAZBO-UHFFFAOYSA-N -1 0 367.424 -0.356 20 0 FBADRM CN1CCN(C(=O)CC2CCN(S(=O)(=O)c3ncc[n-]3)CC2)CC1 ZINC000631930378 485036904 /nfs/dbraw/zinc/03/69/04/485036904.db2.gz HTNSRPRFTTYPBP-UHFFFAOYSA-N -1 0 355.464 -0.026 20 0 FBADRM Cn1ncc(C(F)(F)F)c1S(=O)(=O)NCCCN1CCNC(=O)C1 ZINC000632165923 485055753 /nfs/dbraw/zinc/05/57/53/485055753.db2.gz WGVFPMJVSVAWMO-UHFFFAOYSA-N -1 0 369.369 -0.461 20 0 FBADRM COCCO[C@@H]1COCC[C@H]1NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000632237510 485059045 /nfs/dbraw/zinc/05/90/45/485059045.db2.gz DHBKTJBULYHPGB-BFHYXJOUSA-N -1 0 362.448 -0.510 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000632237511 485059740 /nfs/dbraw/zinc/05/97/40/485059740.db2.gz DHBKTJBULYHPGB-HZSPNIEDSA-N -1 0 362.448 -0.510 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000632237512 485059248 /nfs/dbraw/zinc/05/92/48/485059248.db2.gz DHBKTJBULYHPGB-MELADBBJSA-N -1 0 362.448 -0.510 20 0 FBADRM COCCO[C@@H]1COCC[C@H]1NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000632237513 485059827 /nfs/dbraw/zinc/05/98/27/485059827.db2.gz DHBKTJBULYHPGB-MGPQQGTHSA-N -1 0 362.448 -0.510 20 0 FBADRM CCN1C[C@H](S(=O)(=O)N[C@H]2CCOC[C@@H]2OCCOC)CC1=O ZINC000632237866 485059643 /nfs/dbraw/zinc/05/96/43/485059643.db2.gz OJPOGABOEDGBJE-AGIUHOORSA-N -1 0 350.437 -0.653 20 0 FBADRM CCN1C[C@H](S(=O)(=O)N[C@H]2CCOC[C@H]2OCCOC)CC1=O ZINC000632237867 485059654 /nfs/dbraw/zinc/05/96/54/485059654.db2.gz OJPOGABOEDGBJE-FRRDWIJNSA-N -1 0 350.437 -0.653 20 0 FBADRM CCN1C[C@H](S(=O)(=O)N[C@@H]2CCOC[C@H]2OCCOC)CC1=O ZINC000632237868 485059752 /nfs/dbraw/zinc/05/97/52/485059752.db2.gz OJPOGABOEDGBJE-JHJVBQTASA-N -1 0 350.437 -0.653 20 0 FBADRM CCN1C[C@H](S(=O)(=O)N[C@@H]2CCOC[C@@H]2OCCOC)CC1=O ZINC000632237869 485059712 /nfs/dbraw/zinc/05/97/12/485059712.db2.gz OJPOGABOEDGBJE-UPJWGTAASA-N -1 0 350.437 -0.653 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(CC(C)C)CC2)C1 ZINC000633061877 485114141 /nfs/dbraw/zinc/11/41/41/485114141.db2.gz JJKNEQUGHCIHIY-KRWDZBQOSA-N -1 0 355.435 -0.264 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(CC(C)C)CC2)C1 ZINC000633061878 485114447 /nfs/dbraw/zinc/11/44/47/485114447.db2.gz JJKNEQUGHCIHIY-QGZVFWFLSA-N -1 0 355.435 -0.264 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000633062167 485114504 /nfs/dbraw/zinc/11/45/04/485114504.db2.gz RGUSQNYHVLKRRD-KBPBESRZSA-N -1 0 353.419 -0.367 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000633062168 485114637 /nfs/dbraw/zinc/11/46/37/485114637.db2.gz RGUSQNYHVLKRRD-UONOGXRCSA-N -1 0 353.419 -0.367 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C[C@H]2CCOC2)C2CC2)C1 ZINC000633062631 485114257 /nfs/dbraw/zinc/11/42/57/485114257.db2.gz GOTJZAQNMNYKAP-PXAZEXFGSA-N -1 0 354.403 -0.036 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C[C@@H]2CCOC2)C2CC2)C1 ZINC000633062632 485114669 /nfs/dbraw/zinc/11/46/69/485114669.db2.gz GOTJZAQNMNYKAP-SJCJKPOMSA-N -1 0 354.403 -0.036 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C[C@H]2CCOC2)C2CC2)C1 ZINC000633062633 485114201 /nfs/dbraw/zinc/11/42/01/485114201.db2.gz GOTJZAQNMNYKAP-SJKOYZFVSA-N -1 0 354.403 -0.036 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C[C@@H]2CCOC2)C2CC2)C1 ZINC000633062634 485114568 /nfs/dbraw/zinc/11/45/68/485114568.db2.gz GOTJZAQNMNYKAP-YVEFUNNKSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCCN(C(=O)C3CC3)CC2)C1 ZINC000633062838 485114441 /nfs/dbraw/zinc/11/44/41/485114441.db2.gz PHYGJIRZZGMSSU-ZDUSSCGKSA-N -1 0 351.403 -0.220 20 0 FBADRM COCCN(CC(F)F)C(=O)C(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC000633063845 485114418 /nfs/dbraw/zinc/11/44/18/485114418.db2.gz JUGJXSUWRXJJEW-AWEZNQCLSA-N -1 0 352.334 -0.324 20 0 FBADRM COCCN(CC(F)F)C(=O)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC000633063846 485114653 /nfs/dbraw/zinc/11/46/53/485114653.db2.gz JUGJXSUWRXJJEW-CQSZACIVSA-N -1 0 352.334 -0.324 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3=O)C2)C1 ZINC000633064376 485114787 /nfs/dbraw/zinc/11/47/87/485114787.db2.gz BXVDWVPRKIHEIO-QWHCGFSZSA-N -1 0 351.403 -0.077 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3=O)C2)C1 ZINC000633064377 485114170 /nfs/dbraw/zinc/11/41/70/485114170.db2.gz BXVDWVPRKIHEIO-STQMWFEESA-N -1 0 351.403 -0.077 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCC(N3CCCC3=O)CC2)C1 ZINC000633064795 485114423 /nfs/dbraw/zinc/11/44/23/485114423.db2.gz PEQZPOKYNHEZJE-LBPRGKRZSA-N -1 0 351.403 -0.077 20 0 FBADRM CCN1C[C@H](C)N(C(=O)C(=O)N2CC[C@](COC)(C(=O)[O-])C2)C[C@@H]1C ZINC000633065308 485114754 /nfs/dbraw/zinc/11/47/54/485114754.db2.gz GONUSRUYYOHUJO-DCGLDWPTSA-N -1 0 355.435 -0.123 20 0 FBADRM CCN1C[C@H](C)N(C(=O)C(=O)N2CC[C@@](COC)(C(=O)[O-])C2)C[C@@H]1C ZINC000633065309 485114856 /nfs/dbraw/zinc/11/48/56/485114856.db2.gz GONUSRUYYOHUJO-GDZNZVCISA-N -1 0 355.435 -0.123 20 0 FBADRM CCN1C[C@H](C)N(C(=O)C(=O)N2CC[C@](COC)(C(=O)[O-])C2)C[C@H]1C ZINC000633065310 485114152 /nfs/dbraw/zinc/11/41/52/485114152.db2.gz GONUSRUYYOHUJO-IGCXYCKISA-N -1 0 355.435 -0.123 20 0 FBADRM CCN1C[C@H](C)N(C(=O)C(=O)N2CC[C@@](COC)(C(=O)[O-])C2)C[C@H]1C ZINC000633065311 485114190 /nfs/dbraw/zinc/11/41/90/485114190.db2.gz GONUSRUYYOHUJO-IIYDPXPESA-N -1 0 355.435 -0.123 20 0 FBADRM CC(C)OCCN1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000633065408 485114587 /nfs/dbraw/zinc/11/45/87/485114587.db2.gz IIQFIOIHQGCZCV-AWEZNQCLSA-N -1 0 355.435 -0.121 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C)[C@@H](C(C)C)C2)C1 ZINC000633065653 485114354 /nfs/dbraw/zinc/11/43/54/485114354.db2.gz OJYWCQWCOBPDPQ-CXAGYDPISA-N -1 0 355.435 -0.265 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C)[C@@H](C(C)C)C2)C1 ZINC000633065654 485114624 /nfs/dbraw/zinc/11/46/24/485114624.db2.gz OJYWCQWCOBPDPQ-DYVFJYSZSA-N -1 0 355.435 -0.265 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C)[C@H](C(C)C)C2)C1 ZINC000633065655 485114799 /nfs/dbraw/zinc/11/47/99/485114799.db2.gz OJYWCQWCOBPDPQ-GUYCJALGSA-N -1 0 355.435 -0.265 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C)[C@H](C(C)C)C2)C1 ZINC000633065656 485114247 /nfs/dbraw/zinc/11/42/47/485114247.db2.gz OJYWCQWCOBPDPQ-SUMWQHHRSA-N -1 0 355.435 -0.265 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C(C)C)C1 ZINC000633065673 485114868 /nfs/dbraw/zinc/11/48/68/485114868.db2.gz OSEZXVGKVFWZRP-CXAGYDPISA-N -1 0 355.435 -0.265 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C(C)C)C1 ZINC000633065674 485114266 /nfs/dbraw/zinc/11/42/66/485114266.db2.gz OSEZXVGKVFWZRP-DYVFJYSZSA-N -1 0 355.435 -0.265 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C(C)C)C1 ZINC000633065675 485114573 /nfs/dbraw/zinc/11/45/73/485114573.db2.gz OSEZXVGKVFWZRP-GUYCJALGSA-N -1 0 355.435 -0.265 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C(C)C)C1 ZINC000633065676 485114737 /nfs/dbraw/zinc/11/47/37/485114737.db2.gz OSEZXVGKVFWZRP-SUMWQHHRSA-N -1 0 355.435 -0.265 20 0 FBADRM C[C@@H]1CN(CCN(C)C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000633065861 485114276 /nfs/dbraw/zinc/11/42/76/485114276.db2.gz USQDJZFWQOZDTO-MJBXVCDLSA-N -1 0 355.435 -0.123 20 0 FBADRM CN1CCC2(CCN(C(=O)C(=O)N3CCC[C@H](C(=O)[O-])C3)CC2)C1=O ZINC000633066276 485114781 /nfs/dbraw/zinc/11/47/81/485114781.db2.gz GLLZFGRRARBYMV-LBPRGKRZSA-N -1 0 351.403 -0.220 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H](C3CC3)O[C@@H](C)C2)C1 ZINC000633066421 485114732 /nfs/dbraw/zinc/11/47/32/485114732.db2.gz JXHJRHIMEAADAF-BNLOLNQZSA-N -1 0 354.403 -0.038 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H](C)O[C@@H](C3CC3)C2)C1 ZINC000633066422 485114435 /nfs/dbraw/zinc/11/44/35/485114435.db2.gz JXHJRHIMEAADAF-NDGTYSDOSA-N -1 0 354.403 -0.038 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@H](C)O[C@@H](C3CC3)C2)C1 ZINC000633066423 485114078 /nfs/dbraw/zinc/11/40/78/485114078.db2.gz JXHJRHIMEAADAF-PPHDSNJXSA-N -1 0 354.403 -0.038 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H](C)O[C@H](C3CC3)C2)C1 ZINC000633066424 485114843 /nfs/dbraw/zinc/11/48/43/485114843.db2.gz JXHJRHIMEAADAF-ZUCKAHLUSA-N -1 0 354.403 -0.038 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC(C3CCOCC3)C2)C1 ZINC000633066857 484522418 /nfs/dbraw/zinc/52/24/18/484522418.db2.gz VTOOCAOKKOQNMX-KRWDZBQOSA-N -1 0 354.403 -0.179 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC(C3CCOCC3)C2)C1 ZINC000633066858 484522444 /nfs/dbraw/zinc/52/24/44/484522444.db2.gz VTOOCAOKKOQNMX-QGZVFWFLSA-N -1 0 354.403 -0.179 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000633066981 485114212 /nfs/dbraw/zinc/11/42/12/485114212.db2.gz YPLIQALQXOERML-AHIWAGSCSA-N -1 0 354.403 -0.179 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H]([C@H]3CCOC3)C2)C1 ZINC000633066982 485114518 /nfs/dbraw/zinc/11/45/18/485114518.db2.gz YPLIQALQXOERML-DCGLDWPTSA-N -1 0 354.403 -0.179 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000633066983 485114207 /nfs/dbraw/zinc/11/42/07/485114207.db2.gz YPLIQALQXOERML-IGCXYCKISA-N -1 0 354.403 -0.179 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000633066984 485114243 /nfs/dbraw/zinc/11/42/43/485114243.db2.gz YPLIQALQXOERML-XNJGSVPQSA-N -1 0 354.403 -0.179 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC3(C2)CCOCC3)C1 ZINC000633067295 485114430 /nfs/dbraw/zinc/11/44/30/485114430.db2.gz GQNMAUZTJUALAN-KRWDZBQOSA-N -1 0 354.403 -0.035 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC3(C2)CCOCC3)C1 ZINC000633067296 485114701 /nfs/dbraw/zinc/11/47/01/485114701.db2.gz GQNMAUZTJUALAN-QGZVFWFLSA-N -1 0 354.403 -0.035 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@]3(CCOC3)C2)C1 ZINC000633068554 485114085 /nfs/dbraw/zinc/11/40/85/485114085.db2.gz OZFJCVWTJPRPMI-DLBZAZTESA-N -1 0 354.403 -0.035 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@]3(CCOC3)C2)C1 ZINC000633068555 485114793 /nfs/dbraw/zinc/11/47/93/485114793.db2.gz OZFJCVWTJPRPMI-IAGOWNOFSA-N -1 0 354.403 -0.035 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@]3(CCOC3)C2)C1 ZINC000633068556 485114648 /nfs/dbraw/zinc/11/46/48/485114648.db2.gz OZFJCVWTJPRPMI-IRXDYDNUSA-N -1 0 354.403 -0.035 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@]3(CCOC3)C2)C1 ZINC000633068557 485114750 /nfs/dbraw/zinc/11/47/50/485114750.db2.gz OZFJCVWTJPRPMI-SJORKVTESA-N -1 0 354.403 -0.035 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCOCC3(CCOCC3)C2)C1 ZINC000633068709 485114136 /nfs/dbraw/zinc/11/41/36/485114136.db2.gz UKQAFAVKDFNZHO-ZDUSSCGKSA-N -1 0 354.403 -0.035 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](OC(F)F)C2)C1 ZINC000633068769 485114167 /nfs/dbraw/zinc/11/41/67/485114167.db2.gz WXRGFIDNNOWIFE-LKFCYVNXSA-N -1 0 350.318 -0.224 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](OC(F)F)C2)C1 ZINC000633068770 485114105 /nfs/dbraw/zinc/11/41/05/485114105.db2.gz WXRGFIDNNOWIFE-XPTSAGLGSA-N -1 0 350.318 -0.224 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCOCC3(CCC3)C2)C1 ZINC000633068832 485114468 /nfs/dbraw/zinc/11/44/68/485114468.db2.gz YXSPATBDZPFXGJ-KRWDZBQOSA-N -1 0 354.403 -0.035 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCOCC3(CCC3)C2)C1 ZINC000633068833 485114513 /nfs/dbraw/zinc/11/45/13/485114513.db2.gz YXSPATBDZPFXGJ-QGZVFWFLSA-N -1 0 354.403 -0.035 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@]3(C)COC[C@]3(C)C2)C1 ZINC000633068916 485114608 /nfs/dbraw/zinc/11/46/08/485114608.db2.gz BDHPTDZXGVVNFF-BBWFWOEESA-N -1 0 354.403 -0.179 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@]3(C)COC[C@]3(C)C2)C1 ZINC000633068917 485114664 /nfs/dbraw/zinc/11/46/64/485114664.db2.gz BDHPTDZXGVVNFF-IXDOHACOSA-N -1 0 354.403 -0.179 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@@](C)(C(F)F)C2)C1 ZINC000633069045 485114688 /nfs/dbraw/zinc/11/46/88/485114688.db2.gz FNQFNQPTLOVANG-CABCVRRESA-N -1 0 364.345 -0.181 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@](C)(C(F)F)C2)C1 ZINC000633069046 485114697 /nfs/dbraw/zinc/11/46/97/485114697.db2.gz FNQFNQPTLOVANG-GJZGRUSLSA-N -1 0 364.345 -0.181 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@@](C)(C(F)F)C2)C1 ZINC000633069047 485114336 /nfs/dbraw/zinc/11/43/36/485114336.db2.gz FNQFNQPTLOVANG-HUUCEWRRSA-N -1 0 364.345 -0.181 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@](C)(C(F)F)C2)C1 ZINC000633069048 485114341 /nfs/dbraw/zinc/11/43/41/485114341.db2.gz FNQFNQPTLOVANG-LSDHHAIUSA-N -1 0 364.345 -0.181 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N(CCN2CCOCC2)CC2CC2)C1 ZINC000633069061 485114216 /nfs/dbraw/zinc/11/42/16/485114216.db2.gz FQLWFWVMXREYPR-HNNXBMFYSA-N -1 0 367.446 -0.120 20 0 FBADRM CC[C@@H](C)N1CCN(C(=O)C(=O)N2CC[C@@](COC)(C(=O)[O-])C2)CC1 ZINC000633069827 485114679 /nfs/dbraw/zinc/11/46/79/485114679.db2.gz BNXSJLWOKSBGTB-CXAGYDPISA-N -1 0 355.435 -0.121 20 0 FBADRM CC[C@@H](C)N1CCN(C(=O)C(=O)N2CC[C@](COC)(C(=O)[O-])C2)CC1 ZINC000633069828 485114095 /nfs/dbraw/zinc/11/40/95/485114095.db2.gz BNXSJLWOKSBGTB-DYVFJYSZSA-N -1 0 355.435 -0.121 20 0 FBADRM CC[C@H](C)N1CCN(C(=O)C(=O)N2CC[C@](COC)(C(=O)[O-])C2)CC1 ZINC000633069829 485114392 /nfs/dbraw/zinc/11/43/92/485114392.db2.gz BNXSJLWOKSBGTB-GUYCJALGSA-N -1 0 355.435 -0.121 20 0 FBADRM CC[C@H](C)N1CCN(C(=O)C(=O)N2CC[C@@](COC)(C(=O)[O-])C2)CC1 ZINC000633069830 485114234 /nfs/dbraw/zinc/11/42/34/485114234.db2.gz BNXSJLWOKSBGTB-SUMWQHHRSA-N -1 0 355.435 -0.121 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@@H](C3CCC3)C2)C1 ZINC000633069889 485114692 /nfs/dbraw/zinc/11/46/92/485114692.db2.gz GIKYFLMGKZWFMO-CXAGYDPISA-N -1 0 354.403 -0.036 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@@H](C3CCC3)C2)C1 ZINC000633069890 485114065 /nfs/dbraw/zinc/11/40/65/485114065.db2.gz GIKYFLMGKZWFMO-DYVFJYSZSA-N -1 0 354.403 -0.036 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@H](C3CCC3)C2)C1 ZINC000633069891 485114659 /nfs/dbraw/zinc/11/46/59/485114659.db2.gz GIKYFLMGKZWFMO-GUYCJALGSA-N -1 0 354.403 -0.036 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@H](C3CCC3)C2)C1 ZINC000633069892 485114617 /nfs/dbraw/zinc/11/46/17/485114617.db2.gz GIKYFLMGKZWFMO-SUMWQHHRSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](CN3CCCC3=O)C2)C1 ZINC000633070320 485114308 /nfs/dbraw/zinc/11/43/08/485114308.db2.gz WVIIQNQPUAQLNO-OLZOCXBDSA-N -1 0 351.403 -0.220 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC000633070321 485114835 /nfs/dbraw/zinc/11/48/35/485114835.db2.gz WVIIQNQPUAQLNO-STQMWFEESA-N -1 0 351.403 -0.220 20 0 FBADRM CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCN1C ZINC000633070322 485114554 /nfs/dbraw/zinc/11/45/54/485114554.db2.gz WVVYEAXGKIZANB-PBFPGSCMSA-N -1 0 353.419 -0.655 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc(F)c3)CC2)CCO1 ZINC000633071063 485114601 /nfs/dbraw/zinc/11/46/01/485114601.db2.gz YNIYSUQXVXUJGV-AWEZNQCLSA-N -1 0 365.361 -0.214 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc(F)c3)CC2)CCO1 ZINC000633071064 485114130 /nfs/dbraw/zinc/11/41/30/485114130.db2.gz YNIYSUQXVXUJGV-CQSZACIVSA-N -1 0 365.361 -0.214 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000633071459 485114475 /nfs/dbraw/zinc/11/44/75/485114475.db2.gz CRTLHQVYVBHCOX-OLZOCXBDSA-N -1 0 351.403 -0.220 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)N3CCCC3)C2)C1 ZINC000633071460 485114812 /nfs/dbraw/zinc/11/48/12/485114812.db2.gz CRTLHQVYVBHCOX-STQMWFEESA-N -1 0 351.403 -0.220 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCO[C@H](C(F)F)CC1)C2 ZINC000633071747 485115437 /nfs/dbraw/zinc/11/54/37/485115437.db2.gz JCTZGKSXABQDLR-HFBDOXOYSA-N -1 0 362.329 -0.571 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCO[C@@H](C(F)F)CC1)C2 ZINC000633071753 485115633 /nfs/dbraw/zinc/11/56/33/485115633.db2.gz JCTZGKSXABQDLR-IQMDTDKHSA-N -1 0 362.329 -0.571 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@@H](C(F)F)CC2)C1 ZINC000633073167 485115638 /nfs/dbraw/zinc/11/56/38/485115638.db2.gz TUQGIUMZHIRZEU-BMIGLBTASA-N -1 0 364.345 -0.181 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@H](C(F)F)CC2)C1 ZINC000633073171 485115460 /nfs/dbraw/zinc/11/54/60/485115460.db2.gz TUQGIUMZHIRZEU-BONVTDFDSA-N -1 0 364.345 -0.181 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@@H](C(F)F)CC2)C1 ZINC000633073172 485115574 /nfs/dbraw/zinc/11/55/74/485115574.db2.gz TUQGIUMZHIRZEU-MEBBXXQBSA-N -1 0 364.345 -0.181 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@H](C(F)F)CC2)C1 ZINC000633073173 485115658 /nfs/dbraw/zinc/11/56/58/485115658.db2.gz TUQGIUMZHIRZEU-ZUZCIYMTSA-N -1 0 364.345 -0.181 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCOC3)C1 ZINC000633073561 485115652 /nfs/dbraw/zinc/11/56/52/485115652.db2.gz WHBYVJSHNOAWMP-DLBZAZTESA-N -1 0 354.403 -0.035 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCOC3)C1 ZINC000633073563 485115300 /nfs/dbraw/zinc/11/53/00/485115300.db2.gz WHBYVJSHNOAWMP-IAGOWNOFSA-N -1 0 354.403 -0.035 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCOC3)C1 ZINC000633073564 485115480 /nfs/dbraw/zinc/11/54/80/485115480.db2.gz WHBYVJSHNOAWMP-IRXDYDNUSA-N -1 0 354.403 -0.035 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCOC3)C1 ZINC000633073566 485115520 /nfs/dbraw/zinc/11/55/20/485115520.db2.gz WHBYVJSHNOAWMP-SJORKVTESA-N -1 0 354.403 -0.035 20 0 FBADRM COCc1cc(=O)n(-c2ncccc2S(=O)(=O)N2CCN(C)CC2)[n-]1 ZINC000634605645 483492217 /nfs/dbraw/zinc/49/22/17/483492217.db2.gz RYGNXBUAYFGGJU-UHFFFAOYSA-N -1 0 367.431 -0.243 20 0 FBADRM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000634856367 483897979 /nfs/dbraw/zinc/89/79/79/483897979.db2.gz OFFFMZZLUVYVSI-KBPBESRZSA-N -1 0 353.419 -0.654 20 0 FBADRM CC1(C)[C@H](C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)[C@@H]1C(=O)[O-] ZINC000634856368 483898120 /nfs/dbraw/zinc/89/81/20/483898120.db2.gz OFFFMZZLUVYVSI-UONOGXRCSA-N -1 0 353.419 -0.654 20 0 FBADRM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000634856369 483897976 /nfs/dbraw/zinc/89/79/76/483897976.db2.gz OFFFMZZLUVYVSI-ZIAGYGMSSA-N -1 0 353.419 -0.654 20 0 FBADRM O=C([O-])[C@@]1(CC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CCOC1 ZINC000634856519 483898112 /nfs/dbraw/zinc/89/81/12/483898112.db2.gz SXOHJBAMXYZEBT-CXAGYDPISA-N -1 0 354.403 -0.035 20 0 FBADRM O=C([O-])[C@]1(CC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CCOC1 ZINC000634856520 483898077 /nfs/dbraw/zinc/89/80/77/483898077.db2.gz SXOHJBAMXYZEBT-DYVFJYSZSA-N -1 0 354.403 -0.035 20 0 FBADRM O=C([O-])[C@]1(CC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CCOC1 ZINC000634856521 483898028 /nfs/dbraw/zinc/89/80/28/483898028.db2.gz SXOHJBAMXYZEBT-GUYCJALGSA-N -1 0 354.403 -0.035 20 0 FBADRM O=C([O-])[C@@]1(CC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CCOC1 ZINC000634856522 483898108 /nfs/dbraw/zinc/89/81/08/483898108.db2.gz SXOHJBAMXYZEBT-SUMWQHHRSA-N -1 0 354.403 -0.035 20 0 FBADRM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000634856774 483898124 /nfs/dbraw/zinc/89/81/24/483898124.db2.gz ZUTXWZNYHIBGJC-CABCVRRESA-N -1 0 367.446 -0.120 20 0 FBADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000634866522 483899227 /nfs/dbraw/zinc/89/92/27/483899227.db2.gz AFBNSDBIRKQXHD-CHWSQXEVSA-N -1 0 351.403 -0.220 20 0 FBADRM O=C([O-])[C@H]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000634866523 483899107 /nfs/dbraw/zinc/89/91/07/483899107.db2.gz AFBNSDBIRKQXHD-OLZOCXBDSA-N -1 0 351.403 -0.220 20 0 FBADRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000634866524 483899301 /nfs/dbraw/zinc/89/93/01/483899301.db2.gz AFBNSDBIRKQXHD-QWHCGFSZSA-N -1 0 351.403 -0.220 20 0 FBADRM O=C([O-])[C@H]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000634866525 483899319 /nfs/dbraw/zinc/89/93/19/483899319.db2.gz AFBNSDBIRKQXHD-STQMWFEESA-N -1 0 351.403 -0.220 20 0 FBADRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000634866996 483899396 /nfs/dbraw/zinc/89/93/96/483899396.db2.gz OVPGOXXNHKHBMS-KBPBESRZSA-N -1 0 363.414 -0.053 20 0 FBADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000634866997 483899082 /nfs/dbraw/zinc/89/90/82/483899082.db2.gz OVPGOXXNHKHBMS-KGLIPLIRSA-N -1 0 363.414 -0.053 20 0 FBADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000634866998 483899503 /nfs/dbraw/zinc/89/95/03/483899503.db2.gz OVPGOXXNHKHBMS-UONOGXRCSA-N -1 0 363.414 -0.053 20 0 FBADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000634866999 483899265 /nfs/dbraw/zinc/89/92/65/483899265.db2.gz OVPGOXXNHKHBMS-ZIAGYGMSSA-N -1 0 363.414 -0.053 20 0 FBADRM CC1(C)[C@H](C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)[C@@H]1C(=O)[O-] ZINC000634867384 483899440 /nfs/dbraw/zinc/89/94/40/483899440.db2.gz ZOBZFGGNNYVRRA-NWDGAFQWSA-N -1 0 351.403 -0.364 20 0 FBADRM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000634867385 483899294 /nfs/dbraw/zinc/89/92/94/483899294.db2.gz ZOBZFGGNNYVRRA-RYUDHWBXSA-N -1 0 351.403 -0.364 20 0 FBADRM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000634867386 483899232 /nfs/dbraw/zinc/89/92/32/483899232.db2.gz ZOBZFGGNNYVRRA-VXGBXAGGSA-N -1 0 351.403 -0.364 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)C[C@]2(C(=O)[O-])CCSC2)CC1 ZINC000634928393 483909878 /nfs/dbraw/zinc/90/98/78/483909878.db2.gz MGLJMEQNOIVLIX-CYBMUJFWSA-N -1 0 365.477 -0.465 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)C[C@@]2(C(=O)[O-])CCSC2)CC1 ZINC000634928394 483910693 /nfs/dbraw/zinc/91/06/93/483910693.db2.gz MGLJMEQNOIVLIX-ZDUSSCGKSA-N -1 0 365.477 -0.465 20 0 FBADRM CN(C)S(=O)(=O)N1CCCN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])CC1 ZINC000634946563 483911522 /nfs/dbraw/zinc/91/15/22/483911522.db2.gz SSLXVOXCAUKRRG-CHWSQXEVSA-N -1 0 359.448 -0.006 20 0 FBADRM CN(C)S(=O)(=O)N1CCCN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])CC1 ZINC000634946564 483911315 /nfs/dbraw/zinc/91/13/15/483911315.db2.gz SSLXVOXCAUKRRG-OLZOCXBDSA-N -1 0 359.448 -0.006 20 0 FBADRM CN(C)S(=O)(=O)N1CCCN(C(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])CC1 ZINC000634946565 483911410 /nfs/dbraw/zinc/91/14/10/483911410.db2.gz SSLXVOXCAUKRRG-QWHCGFSZSA-N -1 0 359.448 -0.006 20 0 FBADRM CN(C)S(=O)(=O)N1CCCN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])CC1 ZINC000634946566 483911284 /nfs/dbraw/zinc/91/12/84/483911284.db2.gz SSLXVOXCAUKRRG-STQMWFEESA-N -1 0 359.448 -0.006 20 0 FBADRM Cn1ncc(Br)c1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000635018219 483922142 /nfs/dbraw/zinc/92/21/42/483922142.db2.gz MTVSEPDTNHGGKH-SECBINFHSA-N -1 0 352.210 -0.134 20 0 FBADRM Cn1ncc(Br)c1CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000635018221 483922579 /nfs/dbraw/zinc/92/25/79/483922579.db2.gz MTVSEPDTNHGGKH-VIFPVBQESA-N -1 0 352.210 -0.134 20 0 FBADRM O=C(CCCc1nnn[n-]1)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000635454305 484001551 /nfs/dbraw/zinc/00/15/51/484001551.db2.gz VZZKSCWGQWMRNX-JTQLQIEISA-N -1 0 356.477 -0.001 20 0 FBADRM O=C(CCCc1nnn[n-]1)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000635454317 484002501 /nfs/dbraw/zinc/00/25/01/484002501.db2.gz VZZKSCWGQWMRNX-SNVBAGLBSA-N -1 0 356.477 -0.001 20 0 FBADRM CCN(CC)C(=O)CN1CCCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC000635556249 484049543 /nfs/dbraw/zinc/04/95/43/484049543.db2.gz MHZPVNLHPSXEGR-UHFFFAOYSA-N -1 0 351.455 -0.075 20 0 FBADRM O=C(NCCn1ccc(C(F)(F)F)n1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000637777778 483676335 /nfs/dbraw/zinc/67/63/35/483676335.db2.gz XUDJDKUIYKLJRL-MRVPVSSYSA-N -1 0 360.296 -0.153 20 0 FBADRM O=C(NCCn1ccc(C(F)(F)F)n1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000637777779 483676441 /nfs/dbraw/zinc/67/64/41/483676441.db2.gz XUDJDKUIYKLJRL-QMMMGPOBSA-N -1 0 360.296 -0.153 20 0 FBADRM C[C@@]1(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)C[NH2+]CCO1 ZINC000638325302 483769610 /nfs/dbraw/zinc/76/96/10/483769610.db2.gz GUNXPPQHOHHWDJ-AWEZNQCLSA-N -1 0 363.386 -0.262 20 0 FBADRM C[C@]1(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)C[NH2+]CCO1 ZINC000638325308 483769806 /nfs/dbraw/zinc/76/98/06/483769806.db2.gz GUNXPPQHOHHWDJ-CQSZACIVSA-N -1 0 363.386 -0.262 20 0 FBADRM CN(CC(=O)N1CCN(C)CC1)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000640058210 484602027 /nfs/dbraw/zinc/60/20/27/484602027.db2.gz KHYVEIAVNSZAEE-UHFFFAOYSA-N -1 0 365.459 -0.286 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)c3ccc(C(=O)[O-])nc3)cnc2n(C)c1=O ZINC000640412989 484307543 /nfs/dbraw/zinc/30/75/43/484307543.db2.gz BSYYILHMMTVUNZ-UHFFFAOYSA-N -1 0 355.310 -0.022 20 0 FBADRM COCC(COC)S(=O)(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000641340562 484859689 /nfs/dbraw/zinc/85/96/89/484859689.db2.gz GWNICYSDKFYKKD-MRXNPFEDSA-N -1 0 372.487 -0.014 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NCCN1CCOCC1 ZINC000641932828 485114832 /nfs/dbraw/zinc/11/48/32/485114832.db2.gz CRHNKMICZNWKLW-UHFFFAOYSA-N -1 0 363.386 -0.309 20 0 FBADRM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 ZINC000641951100 485124222 /nfs/dbraw/zinc/12/42/22/485124222.db2.gz JQWAPWRESIEYST-UHFFFAOYSA-N -1 0 372.428 -0.167 20 0 FBADRM O=C([O-])c1cccnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000641959288 485129172 /nfs/dbraw/zinc/12/91/72/485129172.db2.gz BTINKUNXTVTFBI-UHFFFAOYSA-N -1 0 356.404 -0.521 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc(C(=O)[O-])c1)c(=O)n2C ZINC000642117467 485198374 /nfs/dbraw/zinc/19/83/74/485198374.db2.gz AXCXRYZPPJGJPA-UHFFFAOYSA-N -1 0 357.326 -0.229 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)Nc1ccccc1C(=O)[O-])c(=O)n2C ZINC000642117473 485198723 /nfs/dbraw/zinc/19/87/23/485198723.db2.gz BUMSVUCDZOKXQS-UHFFFAOYSA-N -1 0 357.326 -0.229 20 0 FBADRM CN1CCN(S(=O)(=O)N2CCN(c3ncccc3C(=O)[O-])CC2)CC1 ZINC000642186637 485256183 /nfs/dbraw/zinc/25/61/83/485256183.db2.gz LZNROMAVMXFBSH-UHFFFAOYSA-N -1 0 369.447 -0.606 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)c3ccc(C(=O)[O-])cn3)cnc2n(C)c1=O ZINC000642208727 483905906 /nfs/dbraw/zinc/90/59/06/483905906.db2.gz WUKFXQQSIKXCOH-UHFFFAOYSA-N -1 0 355.310 -0.022 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)N2CCN(C)CC2)o1 ZINC000642318295 484334451 /nfs/dbraw/zinc/33/44/51/484334451.db2.gz FWSOQBMVEDDDKR-UHFFFAOYSA-N -1 0 358.420 -0.966 20 0 FBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)CNS(=O)(=O)c1cccs1 ZINC000642318296 484333836 /nfs/dbraw/zinc/33/38/36/484333836.db2.gz FWWRAQORDIZPRV-UHFFFAOYSA-N -1 0 374.488 -0.741 20 0 FBADRM CN(CCCNS(=O)(=O)c1cccc(C(=O)[O-])c1)S(C)(=O)=O ZINC000642335503 484360496 /nfs/dbraw/zinc/36/04/96/484360496.db2.gz AMHKVMOCBJSXQP-UHFFFAOYSA-N -1 0 350.418 -0.055 20 0 FBADRM CN(CCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1)S(C)(=O)=O ZINC000642335542 484361049 /nfs/dbraw/zinc/36/10/49/484361049.db2.gz NBKVYFLOFAPSFL-UHFFFAOYSA-N -1 0 350.418 -0.055 20 0 FBADRM O=C([O-])c1ccc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)nc1 ZINC000642381501 484656614 /nfs/dbraw/zinc/65/66/14/484656614.db2.gz IBCGFTWTQIUFEC-JTQLQIEISA-N -1 0 355.372 -0.797 20 0 FBADRM O=C([O-])c1ccc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)nc1 ZINC000642381502 484656558 /nfs/dbraw/zinc/65/65/58/484656558.db2.gz IBCGFTWTQIUFEC-SNVBAGLBSA-N -1 0 355.372 -0.797 20 0 FBADRM COc1ccccc1Nc1nc(N)nc(CN2CCOC[C@@H]2C(=O)[O-])n1 ZINC000643054385 484507454 /nfs/dbraw/zinc/50/74/54/484507454.db2.gz VUAADWHZIBXURI-LLVKDONJSA-N -1 0 360.374 -0.087 20 0 FBADRM COc1ccccc1Nc1nc(N)nc(CN2CCOC[C@H]2C(=O)[O-])n1 ZINC000643054386 484507750 /nfs/dbraw/zinc/50/77/50/484507750.db2.gz VUAADWHZIBXURI-NSHDSACASA-N -1 0 360.374 -0.087 20 0 FBADRM Cn1c(N)c(C(=O)CN2CC[C@@H](C(=O)[O-])c3ccccc32)c(=O)n(C)c1=O ZINC000643055624 484411427 /nfs/dbraw/zinc/41/14/27/484411427.db2.gz BSIAEIAOHYBGJL-LLVKDONJSA-N -1 0 372.381 -0.073 20 0 FBADRM Cn1c(N)c(C(=O)CN2CC[C@H](C(=O)[O-])c3ccccc32)c(=O)n(C)c1=O ZINC000643055626 484411185 /nfs/dbraw/zinc/41/11/85/484411185.db2.gz BSIAEIAOHYBGJL-NSHDSACASA-N -1 0 372.381 -0.073 20 0 FBADRM COc1ccc(CCNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1OC ZINC000643150712 483533875 /nfs/dbraw/zinc/53/38/75/483533875.db2.gz QXXIRZOAHIVOEX-AWEZNQCLSA-N -1 0 366.370 -0.326 20 0 FBADRM COc1ccc(CCNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1OC ZINC000643150713 483534005 /nfs/dbraw/zinc/53/40/05/483534005.db2.gz QXXIRZOAHIVOEX-CQSZACIVSA-N -1 0 366.370 -0.326 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@H]2COc3ccccc3O2)CCO1 ZINC000643151183 483535717 /nfs/dbraw/zinc/53/57/17/483535717.db2.gz BUGKUSKZDZMLOR-GWCFXTLKSA-N -1 0 350.327 -0.745 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@H]2COc3ccccc3O2)CCO1 ZINC000643151184 483535647 /nfs/dbraw/zinc/53/56/47/483535647.db2.gz BUGKUSKZDZMLOR-GXFFZTMASA-N -1 0 350.327 -0.745 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COc3ccccc3O2)CCO1 ZINC000643151185 483535770 /nfs/dbraw/zinc/53/57/70/483535770.db2.gz BUGKUSKZDZMLOR-MFKMUULPSA-N -1 0 350.327 -0.745 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@H]2COc3ccccc3O2)CCO1 ZINC000643151186 483535370 /nfs/dbraw/zinc/53/53/70/483535370.db2.gz BUGKUSKZDZMLOR-ZWNOBZJWSA-N -1 0 350.327 -0.745 20 0 FBADRM COc1ccccc1OCCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643151307 483535939 /nfs/dbraw/zinc/53/59/39/483535939.db2.gz VMXVNYGDCJGAJE-CYBMUJFWSA-N -1 0 352.343 -0.498 20 0 FBADRM COc1ccccc1OCCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643151308 483535915 /nfs/dbraw/zinc/53/59/15/483535915.db2.gz VMXVNYGDCJGAJE-ZDUSSCGKSA-N -1 0 352.343 -0.498 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCc2ccc3c(c2)OCCO3)CCO1 ZINC000643151331 483535516 /nfs/dbraw/zinc/53/55/16/483535516.db2.gz YINCSRSTDMYBLA-AWEZNQCLSA-N -1 0 364.354 -0.572 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCc2ccc3c(c2)OCCO3)CCO1 ZINC000643151332 483535578 /nfs/dbraw/zinc/53/55/78/483535578.db2.gz YINCSRSTDMYBLA-CQSZACIVSA-N -1 0 364.354 -0.572 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCc2ccc3c(c2)OCO3)CCO1 ZINC000643151992 483538352 /nfs/dbraw/zinc/53/83/52/483538352.db2.gz CGLRZFLRZNBHQN-CYBMUJFWSA-N -1 0 350.327 -0.614 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCc2ccc3c(c2)OCO3)CCO1 ZINC000643151993 483538507 /nfs/dbraw/zinc/53/85/07/483538507.db2.gz CGLRZFLRZNBHQN-ZDUSSCGKSA-N -1 0 350.327 -0.614 20 0 FBADRM Cc1nc2ccccc2n1CCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643152066 483538324 /nfs/dbraw/zinc/53/83/24/483538324.db2.gz KOCXXUSVXHHCFH-AWEZNQCLSA-N -1 0 360.370 -0.227 20 0 FBADRM Cc1nc2ccccc2n1CCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643152067 483538576 /nfs/dbraw/zinc/53/85/76/483538576.db2.gz KOCXXUSVXHHCFH-CQSZACIVSA-N -1 0 360.370 -0.227 20 0 FBADRM COc1ccc(C)cc1CCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643152098 483537922 /nfs/dbraw/zinc/53/79/22/483537922.db2.gz ROUCSEVWYKKGHE-AWEZNQCLSA-N -1 0 350.371 -0.026 20 0 FBADRM COc1ccc(C)cc1CCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643152099 483538234 /nfs/dbraw/zinc/53/82/34/483538234.db2.gz ROUCSEVWYKKGHE-CQSZACIVSA-N -1 0 350.371 -0.026 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCCn2cnc3ccccc32)CCO1 ZINC000643152104 483538486 /nfs/dbraw/zinc/53/84/86/483538486.db2.gz TYLSMWPRYIMEGZ-AWEZNQCLSA-N -1 0 360.370 -0.145 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCCn2cnc3ccccc32)CCO1 ZINC000643152105 483538329 /nfs/dbraw/zinc/53/83/29/483538329.db2.gz TYLSMWPRYIMEGZ-CQSZACIVSA-N -1 0 360.370 -0.145 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2ccccc2Cn2cccn2)CCO1 ZINC000643152595 483539799 /nfs/dbraw/zinc/53/97/99/483539799.db2.gz NGQMJYBQOZNAIT-HNNXBMFYSA-N -1 0 372.381 -0.140 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2ccccc2Cn2cccn2)CCO1 ZINC000643152596 483539733 /nfs/dbraw/zinc/53/97/33/483539733.db2.gz NGQMJYBQOZNAIT-OAHLLOKOSA-N -1 0 372.381 -0.140 20 0 FBADRM COc1ccc(OCCNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000643152642 483539153 /nfs/dbraw/zinc/53/91/53/483539153.db2.gz VGITVIQLICJARM-CYBMUJFWSA-N -1 0 352.343 -0.498 20 0 FBADRM COc1ccc(OCCNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000643152643 483539229 /nfs/dbraw/zinc/53/92/29/483539229.db2.gz VGITVIQLICJARM-ZDUSSCGKSA-N -1 0 352.343 -0.498 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCc2cnn(-c3ccccc3)c2)CCO1 ZINC000643152784 483542223 /nfs/dbraw/zinc/54/22/23/483542223.db2.gz CONFWUVCFXDZHF-HNNXBMFYSA-N -1 0 372.381 -0.157 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCc2cnn(-c3ccccc3)c2)CCO1 ZINC000643152785 483541734 /nfs/dbraw/zinc/54/17/34/483541734.db2.gz CONFWUVCFXDZHF-OAHLLOKOSA-N -1 0 372.381 -0.157 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccc2c(c1)OCO2 ZINC000643152806 483542044 /nfs/dbraw/zinc/54/20/44/483542044.db2.gz HJSUFSZJVKATAR-NOZJJQNGSA-N -1 0 350.327 -0.096 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccc2c(c1)OCO2 ZINC000643152807 483541913 /nfs/dbraw/zinc/54/19/13/483541913.db2.gz HJSUFSZJVKATAR-RNCFNFMXSA-N -1 0 350.327 -0.096 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccc2c(c1)OCO2 ZINC000643152808 483541644 /nfs/dbraw/zinc/54/16/44/483541644.db2.gz HJSUFSZJVKATAR-TVQRCGJNSA-N -1 0 350.327 -0.096 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccc2c(c1)OCO2 ZINC000643152809 483542070 /nfs/dbraw/zinc/54/20/70/483542070.db2.gz HJSUFSZJVKATAR-ZANVPECISA-N -1 0 350.327 -0.096 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2cn3cc(Cl)ccc3n2)CCO1 ZINC000643152816 483541493 /nfs/dbraw/zinc/54/14/93/483541493.db2.gz JBSRDXYZNQPKFF-LLVKDONJSA-N -1 0 366.761 -0.084 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2cn3cc(Cl)ccc3n2)CCO1 ZINC000643152817 483542421 /nfs/dbraw/zinc/54/24/21/483542421.db2.gz JBSRDXYZNQPKFF-NSHDSACASA-N -1 0 366.761 -0.084 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2cnn(-c3ccccc3)c2)CCO1 ZINC000643152822 483541807 /nfs/dbraw/zinc/54/18/07/483541807.db2.gz JTXYMJNCLZXGBY-AWEZNQCLSA-N -1 0 358.354 -0.200 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2cnn(-c3ccccc3)c2)CCO1 ZINC000643152823 483541486 /nfs/dbraw/zinc/54/14/86/483541486.db2.gz JTXYMJNCLZXGBY-CQSZACIVSA-N -1 0 358.354 -0.200 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000643152848 483542452 /nfs/dbraw/zinc/54/24/52/483542452.db2.gz NHLCXDNCQRHSOW-UHFFFAOYSA-N -1 0 363.436 -0.712 20 0 FBADRM CS(=O)(=O)NC1(CNC(=O)C(=O)NCCCC(=O)[O-])CCCCC1 ZINC000643152875 483541857 /nfs/dbraw/zinc/54/18/57/483541857.db2.gz UUJOVSZGFLTGKJ-UHFFFAOYSA-N -1 0 363.436 -0.664 20 0 FBADRM COc1ccc(OC)c(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000643152904 483541125 /nfs/dbraw/zinc/54/11/25/483541125.db2.gz ZJJVPTLKGVBLBH-CYBMUJFWSA-N -1 0 352.343 -0.368 20 0 FBADRM COc1ccc(OC)c(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000643152905 483540328 /nfs/dbraw/zinc/54/03/28/483540328.db2.gz ZJJVPTLKGVBLBH-ZDUSSCGKSA-N -1 0 352.343 -0.368 20 0 FBADRM COc1ccc(OC)c(CCNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000643153337 483545653 /nfs/dbraw/zinc/54/56/53/483545653.db2.gz LZIZXSUXPGNMRG-AWEZNQCLSA-N -1 0 366.370 -0.326 20 0 FBADRM COc1ccc(OC)c(CCNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000643153338 483546433 /nfs/dbraw/zinc/54/64/33/483546433.db2.gz LZIZXSUXPGNMRG-CQSZACIVSA-N -1 0 366.370 -0.326 20 0 FBADRM CCN(CC)c1ccc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC000643153754 483548773 /nfs/dbraw/zinc/54/87/73/483548773.db2.gz VIHCOTGZSZUTPP-CYBMUJFWSA-N -1 0 364.402 -0.144 20 0 FBADRM CCN(CC)c1ccc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC000643153755 483548015 /nfs/dbraw/zinc/54/80/15/483548015.db2.gz VIHCOTGZSZUTPP-ZDUSSCGKSA-N -1 0 364.402 -0.144 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCCN2CCc3ccccc32)CCO1 ZINC000643154349 483552168 /nfs/dbraw/zinc/55/21/68/483552168.db2.gz UHDDJLHFWNUTLE-HNNXBMFYSA-N -1 0 361.398 -0.133 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCCN2CCc3ccccc32)CCO1 ZINC000643154350 483552122 /nfs/dbraw/zinc/55/21/22/483552122.db2.gz UHDDJLHFWNUTLE-OAHLLOKOSA-N -1 0 361.398 -0.133 20 0 FBADRM CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643154361 483552238 /nfs/dbraw/zinc/55/22/38/483552238.db2.gz VKLFDVVGQHDCHD-CYBMUJFWSA-N -1 0 363.370 -0.927 20 0 FBADRM CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643154362 483552296 /nfs/dbraw/zinc/55/22/96/483552296.db2.gz VKLFDVVGQHDCHD-ZDUSSCGKSA-N -1 0 363.370 -0.927 20 0 FBADRM COCCOc1cccc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000643154831 483554897 /nfs/dbraw/zinc/55/48/97/483554897.db2.gz ZXCIXEQFJPJMKM-AWEZNQCLSA-N -1 0 366.370 -0.360 20 0 FBADRM COCCOc1cccc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000643154832 483554307 /nfs/dbraw/zinc/55/43/07/483554307.db2.gz ZXCIXEQFJPJMKM-CQSZACIVSA-N -1 0 366.370 -0.360 20 0 FBADRM Cc1ccc(NCCCNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)nc1 ZINC000643155276 484403517 /nfs/dbraw/zinc/40/35/17/484403517.db2.gz HBIXBDSKMYZGMU-GFCCVEGCSA-N -1 0 350.375 -0.380 20 0 FBADRM Cc1ccc(NCCCNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)nc1 ZINC000643155277 484403571 /nfs/dbraw/zinc/40/35/71/484403571.db2.gz HBIXBDSKMYZGMU-LBPRGKRZSA-N -1 0 350.375 -0.380 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2ccc(Cn3cccn3)cc2)CCO1 ZINC000643155279 483555981 /nfs/dbraw/zinc/55/59/81/483555981.db2.gz HVURJZBOYWTDQN-OAHLLOKOSA-N -1 0 372.381 -0.140 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2cnn(Cc3ccccc3)c2)CCO1 ZINC000643155897 483556978 /nfs/dbraw/zinc/55/69/78/483556978.db2.gz QSLNCOHRIPMFRK-HNNXBMFYSA-N -1 0 372.381 -0.140 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2cnn(Cc3ccccc3)c2)CCO1 ZINC000643155898 483556918 /nfs/dbraw/zinc/55/69/18/483556918.db2.gz QSLNCOHRIPMFRK-OAHLLOKOSA-N -1 0 372.381 -0.140 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCN(c3ccccc3)C2)CCO1 ZINC000643155915 483557057 /nfs/dbraw/zinc/55/70/57/483557057.db2.gz VZRGEQGINMHEIA-DZGCQCFKSA-N -1 0 361.398 -0.059 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCN(c3ccccc3)C2)CCO1 ZINC000643155916 483557477 /nfs/dbraw/zinc/55/74/77/483557477.db2.gz VZRGEQGINMHEIA-HIFRSBDPSA-N -1 0 361.398 -0.059 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@H]2CCN(c3ccccc3)C2)CCO1 ZINC000643155917 483557449 /nfs/dbraw/zinc/55/74/49/483557449.db2.gz VZRGEQGINMHEIA-UKRRQHHQSA-N -1 0 361.398 -0.059 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCN(c3ccccc3)C2)CCO1 ZINC000643155918 483557483 /nfs/dbraw/zinc/55/74/83/483557483.db2.gz VZRGEQGINMHEIA-ZFWWWQNUSA-N -1 0 361.398 -0.059 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCOc2ccc3c(c2)OCO3)CCO1 ZINC000643156335 483559447 /nfs/dbraw/zinc/55/94/47/483559447.db2.gz YESIRBGXDUERAD-CYBMUJFWSA-N -1 0 366.326 -0.778 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCOc2ccc3c(c2)OCO3)CCO1 ZINC000643156336 483558637 /nfs/dbraw/zinc/55/86/37/483558637.db2.gz YESIRBGXDUERAD-ZDUSSCGKSA-N -1 0 366.326 -0.778 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2ccccc2-n2cccn2)CCO1 ZINC000643156651 483560693 /nfs/dbraw/zinc/56/06/93/483560693.db2.gz BMPFVSNURFOHIA-AWEZNQCLSA-N -1 0 358.354 -0.200 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2ccccc2-n2cccn2)CCO1 ZINC000643156652 483560326 /nfs/dbraw/zinc/56/03/26/483560326.db2.gz BMPFVSNURFOHIA-CQSZACIVSA-N -1 0 358.354 -0.200 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2ccccc2-n2ccnc2)CCO1 ZINC000643156669 483560341 /nfs/dbraw/zinc/56/03/41/483560341.db2.gz DUTVXYUGZCFPAC-AWEZNQCLSA-N -1 0 358.354 -0.200 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2ccccc2-n2ccnc2)CCO1 ZINC000643156670 483560348 /nfs/dbraw/zinc/56/03/48/483560348.db2.gz DUTVXYUGZCFPAC-CQSZACIVSA-N -1 0 358.354 -0.200 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2cccc3c2OCCCO3)CCO1 ZINC000643156756 483560637 /nfs/dbraw/zinc/56/06/37/483560637.db2.gz SBNJGXDGYISNQN-CYBMUJFWSA-N -1 0 364.354 -0.224 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2cccc3c2OCCCO3)CCO1 ZINC000643156757 483560011 /nfs/dbraw/zinc/56/00/11/483560011.db2.gz SBNJGXDGYISNQN-ZDUSSCGKSA-N -1 0 364.354 -0.224 20 0 FBADRM O=C(CCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)NC1CCCCC1 ZINC000643156771 483560632 /nfs/dbraw/zinc/56/06/32/483560632.db2.gz UVVHJDPERJHRND-GFCCVEGCSA-N -1 0 355.391 -0.746 20 0 FBADRM O=C(CCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)NC1CCCCC1 ZINC000643156772 483560478 /nfs/dbraw/zinc/56/04/78/483560478.db2.gz UVVHJDPERJHRND-LBPRGKRZSA-N -1 0 355.391 -0.746 20 0 FBADRM COCCOc1ccccc1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643157049 483561296 /nfs/dbraw/zinc/56/12/96/483561296.db2.gz CLDMKOUJMSLRGT-AWEZNQCLSA-N -1 0 366.370 -0.360 20 0 FBADRM COCCOc1ccccc1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643157050 483561570 /nfs/dbraw/zinc/56/15/70/483561570.db2.gz CLDMKOUJMSLRGT-CQSZACIVSA-N -1 0 366.370 -0.360 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2cccc(Cn3cccn3)c2)CCO1 ZINC000643157068 483561466 /nfs/dbraw/zinc/56/14/66/483561466.db2.gz FWTGBQAYCZPYRW-HNNXBMFYSA-N -1 0 372.381 -0.140 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2cccc(Cn3cccn3)c2)CCO1 ZINC000643157069 483561840 /nfs/dbraw/zinc/56/18/40/483561840.db2.gz FWTGBQAYCZPYRW-OAHLLOKOSA-N -1 0 372.381 -0.140 20 0 FBADRM COc1ccc(OCCCNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000643157599 483561453 /nfs/dbraw/zinc/56/14/53/483561453.db2.gz RWZMHISKXNOOJR-AWEZNQCLSA-N -1 0 366.370 -0.108 20 0 FBADRM COc1ccc(OCCCNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000643157600 483561983 /nfs/dbraw/zinc/56/19/83/483561983.db2.gz RWZMHISKXNOOJR-CQSZACIVSA-N -1 0 366.370 -0.108 20 0 FBADRM COc1ccc(CCNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c(OC)c1 ZINC000643157601 483562154 /nfs/dbraw/zinc/56/21/54/483562154.db2.gz SNGAKIQIPZJFLP-AWEZNQCLSA-N -1 0 366.370 -0.326 20 0 FBADRM COc1ccc(CCNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000643157602 483562119 /nfs/dbraw/zinc/56/21/19/483562119.db2.gz SNGAKIQIPZJFLP-CQSZACIVSA-N -1 0 366.370 -0.326 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)CCO1 ZINC000643158091 483561353 /nfs/dbraw/zinc/56/13/53/483561353.db2.gz PTCWIOVZKDEAFA-AAEUAGOBSA-N -1 0 361.354 -0.780 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)CCO1 ZINC000643158092 483561756 /nfs/dbraw/zinc/56/17/56/483561756.db2.gz PTCWIOVZKDEAFA-DGCLKSJQSA-N -1 0 361.354 -0.780 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)CCO1 ZINC000643158093 483561368 /nfs/dbraw/zinc/56/13/68/483561368.db2.gz PTCWIOVZKDEAFA-WCQYABFASA-N -1 0 361.354 -0.780 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)CCO1 ZINC000643158094 483561363 /nfs/dbraw/zinc/56/13/63/483561363.db2.gz PTCWIOVZKDEAFA-YPMHNXCESA-N -1 0 361.354 -0.780 20 0 FBADRM CCCOc1ncccc1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643158143 483561728 /nfs/dbraw/zinc/56/17/28/483561728.db2.gz WHIKXHOUBKCGAM-GFCCVEGCSA-N -1 0 351.359 -0.201 20 0 FBADRM CCCOc1ncccc1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643158144 483561325 /nfs/dbraw/zinc/56/13/25/483561325.db2.gz WHIKXHOUBKCGAM-LBPRGKRZSA-N -1 0 351.359 -0.201 20 0 FBADRM C[C@@H]1Cc2ccccc2N1CCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643158564 483561763 /nfs/dbraw/zinc/56/17/63/483561763.db2.gz AMPZYHUASZBYJA-DOMZBBRYSA-N -1 0 361.398 -0.134 20 0 FBADRM C[C@@H]1Cc2ccccc2N1CCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643158565 483562110 /nfs/dbraw/zinc/56/21/10/483562110.db2.gz AMPZYHUASZBYJA-IUODEOHRSA-N -1 0 361.398 -0.134 20 0 FBADRM C[C@H]1Cc2ccccc2N1CCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643158566 483562149 /nfs/dbraw/zinc/56/21/49/483562149.db2.gz AMPZYHUASZBYJA-SWLSCSKDSA-N -1 0 361.398 -0.134 20 0 FBADRM C[C@H]1Cc2ccccc2N1CCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643158567 483561804 /nfs/dbraw/zinc/56/18/04/483561804.db2.gz AMPZYHUASZBYJA-WFASDCNBSA-N -1 0 361.398 -0.134 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)N1CCc2ccccc21 ZINC000643158681 483562055 /nfs/dbraw/zinc/56/20/55/483562055.db2.gz SLRKXUSIRBDWGU-DOMZBBRYSA-N -1 0 361.398 -0.134 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)N1CCc2ccccc21 ZINC000643158682 483561463 /nfs/dbraw/zinc/56/14/63/483561463.db2.gz SLRKXUSIRBDWGU-IUODEOHRSA-N -1 0 361.398 -0.134 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)N1CCc2ccccc21 ZINC000643158683 483562102 /nfs/dbraw/zinc/56/21/02/483562102.db2.gz SLRKXUSIRBDWGU-SWLSCSKDSA-N -1 0 361.398 -0.134 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)N1CCc2ccccc21 ZINC000643158684 483561347 /nfs/dbraw/zinc/56/13/47/483561347.db2.gz SLRKXUSIRBDWGU-WFASDCNBSA-N -1 0 361.398 -0.134 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2ccc(OCC3CC3)nc2)CCO1 ZINC000643158703 483561655 /nfs/dbraw/zinc/56/16/55/483561655.db2.gz VHIHUDADVBZTAC-CYBMUJFWSA-N -1 0 363.370 -0.201 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCC3CC3)nc2)CCO1 ZINC000643158704 483561795 /nfs/dbraw/zinc/56/17/95/483561795.db2.gz VHIHUDADVBZTAC-ZDUSSCGKSA-N -1 0 363.370 -0.201 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)OCCCO3)CCO1 ZINC000643158724 483561417 /nfs/dbraw/zinc/56/14/17/483561417.db2.gz YPNSMTOKOBNADD-AWEZNQCLSA-N -1 0 364.354 -0.224 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)OCCCO3)CCO1 ZINC000643158725 483561548 /nfs/dbraw/zinc/56/15/48/483561548.db2.gz YPNSMTOKOBNADD-CQSZACIVSA-N -1 0 364.354 -0.224 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CCCCCC2)CCO1 ZINC000643159044 483561849 /nfs/dbraw/zinc/56/18/49/483561849.db2.gz FTBWWJIRSWHFDG-GFCCVEGCSA-N -1 0 355.391 -0.793 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CCCCCC2)CCO1 ZINC000643159045 483561576 /nfs/dbraw/zinc/56/15/76/483561576.db2.gz FTBWWJIRSWHFDG-LBPRGKRZSA-N -1 0 355.391 -0.793 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000643159105 483561382 /nfs/dbraw/zinc/56/13/82/483561382.db2.gz RASGDZHGWLKGGI-UHFFFAOYSA-N -1 0 371.415 -0.555 20 0 FBADRM COc1nc(C)cc(C)c1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643159107 483561946 /nfs/dbraw/zinc/56/19/46/483561946.db2.gz REMBNFUNZQQXFF-GFCCVEGCSA-N -1 0 351.359 -0.365 20 0 FBADRM COc1nc(C)cc(C)c1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643159108 483561637 /nfs/dbraw/zinc/56/16/37/483561637.db2.gz REMBNFUNZQQXFF-LBPRGKRZSA-N -1 0 351.359 -0.365 20 0 FBADRM COc1ccc(COCCNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000643159139 483561269 /nfs/dbraw/zinc/56/12/69/483561269.db2.gz YXQNAGADLGJNFL-AWEZNQCLSA-N -1 0 366.370 -0.360 20 0 FBADRM COc1ccc(COCCNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000643159140 483563114 /nfs/dbraw/zinc/56/31/14/483563114.db2.gz YXQNAGADLGJNFL-CQSZACIVSA-N -1 0 366.370 -0.360 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCc2ccn(-c3ccccc3)n2)CCO1 ZINC000643159571 483562868 /nfs/dbraw/zinc/56/28/68/483562868.db2.gz JABJXZDITQDBHV-HNNXBMFYSA-N -1 0 372.381 -0.157 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCc2ccn(-c3ccccc3)n2)CCO1 ZINC000643159572 483563365 /nfs/dbraw/zinc/56/33/65/483563365.db2.gz JABJXZDITQDBHV-OAHLLOKOSA-N -1 0 372.381 -0.157 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCCNC(=O)c2ccccc2)CCO1 ZINC000643159658 483563530 /nfs/dbraw/zinc/56/35/30/483563530.db2.gz VUUOGKJTBKFTJO-CYBMUJFWSA-N -1 0 363.370 -0.765 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCCNC(=O)c2ccccc2)CCO1 ZINC000643159659 483562947 /nfs/dbraw/zinc/56/29/47/483562947.db2.gz VUUOGKJTBKFTJO-ZDUSSCGKSA-N -1 0 363.370 -0.765 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCc2nc3c(s2)CCCC3)CCO1 ZINC000643159676 483563601 /nfs/dbraw/zinc/56/36/01/483563601.db2.gz ZQVDXYQMEXSGTB-LLVKDONJSA-N -1 0 367.427 -0.007 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCc2nc3c(s2)CCCC3)CCO1 ZINC000643159677 483563283 /nfs/dbraw/zinc/56/32/83/483563283.db2.gz ZQVDXYQMEXSGTB-NSHDSACASA-N -1 0 367.427 -0.007 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC(=O)N2CCc3ccccc32)CCO1 ZINC000643160047 483562662 /nfs/dbraw/zinc/56/26/62/483562662.db2.gz RMODPIPOONHKLA-CYBMUJFWSA-N -1 0 361.354 -0.996 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CCc3ccccc32)CCO1 ZINC000643160048 483562599 /nfs/dbraw/zinc/56/25/99/483562599.db2.gz RMODPIPOONHKLA-ZDUSSCGKSA-N -1 0 361.354 -0.996 20 0 FBADRM O=C(CC1CCCCC1)NCCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643160070 483562695 /nfs/dbraw/zinc/56/26/95/483562695.db2.gz YCSIMQARLDSHSI-CYBMUJFWSA-N -1 0 369.418 -0.499 20 0 FBADRM O=C(CC1CCCCC1)NCCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643160071 483563123 /nfs/dbraw/zinc/56/31/23/483563123.db2.gz YCSIMQARLDSHSI-ZDUSSCGKSA-N -1 0 369.418 -0.499 20 0 FBADRM COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)C2 ZINC000643160415 483564308 /nfs/dbraw/zinc/56/43/08/483564308.db2.gz FSLYMSWPEBRVCF-AAEUAGOBSA-N -1 0 364.354 -0.573 20 0 FBADRM COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)C2 ZINC000643160416 483564233 /nfs/dbraw/zinc/56/42/33/483564233.db2.gz FSLYMSWPEBRVCF-DGCLKSJQSA-N -1 0 364.354 -0.573 20 0 FBADRM COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)C2 ZINC000643160417 483564270 /nfs/dbraw/zinc/56/42/70/483564270.db2.gz FSLYMSWPEBRVCF-WCQYABFASA-N -1 0 364.354 -0.573 20 0 FBADRM COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)C2 ZINC000643160418 483564139 /nfs/dbraw/zinc/56/41/39/483564139.db2.gz FSLYMSWPEBRVCF-YPMHNXCESA-N -1 0 364.354 -0.573 20 0 FBADRM COc1ccccc1OCCCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643160435 483564282 /nfs/dbraw/zinc/56/42/82/483564282.db2.gz HQHIGUXLUPQCIS-AWEZNQCLSA-N -1 0 366.370 -0.108 20 0 FBADRM COc1ccccc1OCCCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643160436 483564543 /nfs/dbraw/zinc/56/45/43/483564543.db2.gz HQHIGUXLUPQCIS-CQSZACIVSA-N -1 0 366.370 -0.108 20 0 FBADRM COc1ccc(CCNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1F ZINC000643160470 483564675 /nfs/dbraw/zinc/56/46/75/483564675.db2.gz LTQSPAYDWDSBDZ-CYBMUJFWSA-N -1 0 354.334 -0.195 20 0 FBADRM COc1ccc(CCNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1F ZINC000643160471 483564237 /nfs/dbraw/zinc/56/42/37/483564237.db2.gz LTQSPAYDWDSBDZ-ZDUSSCGKSA-N -1 0 354.334 -0.195 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCn2c(=O)oc3ccccc32)CCO1 ZINC000643161056 483566463 /nfs/dbraw/zinc/56/64/63/483566463.db2.gz COIYNFQUXGTLNR-GFCCVEGCSA-N -1 0 363.326 -0.977 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCn2c(=O)oc3ccccc32)CCO1 ZINC000643161057 483566038 /nfs/dbraw/zinc/56/60/38/483566038.db2.gz COIYNFQUXGTLNR-LBPRGKRZSA-N -1 0 363.326 -0.977 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCOc2ccc(F)c(F)c2)CCO1 ZINC000643161094 483566327 /nfs/dbraw/zinc/56/63/27/483566327.db2.gz IYPIVSBLQBSIJQ-GFCCVEGCSA-N -1 0 358.297 -0.228 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCOc2ccc(F)c(F)c2)CCO1 ZINC000643161095 483566094 /nfs/dbraw/zinc/56/60/94/483566094.db2.gz IYPIVSBLQBSIJQ-LBPRGKRZSA-N -1 0 358.297 -0.228 20 0 FBADRM COCc1cc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1F ZINC000643161121 483565852 /nfs/dbraw/zinc/56/58/52/483565852.db2.gz NLYLDPQJIVVBDW-CYBMUJFWSA-N -1 0 354.334 -0.100 20 0 FBADRM COCc1cc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1F ZINC000643161122 483566455 /nfs/dbraw/zinc/56/64/55/483566455.db2.gz NLYLDPQJIVVBDW-ZDUSSCGKSA-N -1 0 354.334 -0.100 20 0 FBADRM CCCOc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC000643161127 483565577 /nfs/dbraw/zinc/56/55/77/483565577.db2.gz OBFYCGLDWUCMCC-GFCCVEGCSA-N -1 0 351.359 -0.201 20 0 FBADRM CCCOc1ccc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC000643161128 483565705 /nfs/dbraw/zinc/56/57/05/483565705.db2.gz OBFYCGLDWUCMCC-LBPRGKRZSA-N -1 0 351.359 -0.201 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCOc2ccc(F)cc2F)CCO1 ZINC000643161161 483564109 /nfs/dbraw/zinc/56/41/09/483564109.db2.gz XKOKMKDHPFPEDP-GFCCVEGCSA-N -1 0 358.297 -0.228 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCOc2ccc(F)cc2F)CCO1 ZINC000643161162 483564353 /nfs/dbraw/zinc/56/43/53/483564353.db2.gz XKOKMKDHPFPEDP-LBPRGKRZSA-N -1 0 358.297 -0.228 20 0 FBADRM Cc1ccc(C(=O)NCCNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000643162012 483567225 /nfs/dbraw/zinc/56/72/25/483567225.db2.gz DVBLITJDVLNXIB-CYBMUJFWSA-N -1 0 363.370 -0.847 20 0 FBADRM Cc1ccc(C(=O)NCCNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000643162013 483567133 /nfs/dbraw/zinc/56/71/33/483567133.db2.gz DVBLITJDVLNXIB-ZDUSSCGKSA-N -1 0 363.370 -0.847 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CCO1 ZINC000643162039 483567208 /nfs/dbraw/zinc/56/72/08/483567208.db2.gz KIPLEWUOJQXXRX-CHWSQXEVSA-N -1 0 361.354 -0.780 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CCO1 ZINC000643162040 483567473 /nfs/dbraw/zinc/56/74/73/483567473.db2.gz KIPLEWUOJQXXRX-OLZOCXBDSA-N -1 0 361.354 -0.780 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CCO1 ZINC000643162041 483567241 /nfs/dbraw/zinc/56/72/41/483567241.db2.gz KIPLEWUOJQXXRX-QWHCGFSZSA-N -1 0 361.354 -0.780 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CCO1 ZINC000643162042 483567819 /nfs/dbraw/zinc/56/78/19/483567819.db2.gz KIPLEWUOJQXXRX-STQMWFEESA-N -1 0 361.354 -0.780 20 0 FBADRM CN(C)C(=O)C1(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCCC1 ZINC000643162467 483568577 /nfs/dbraw/zinc/56/85/77/483568577.db2.gz NOGLADRUMKYNEN-LLVKDONJSA-N -1 0 355.391 -0.937 20 0 FBADRM CN(C)C(=O)C1(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCCC1 ZINC000643162468 483568868 /nfs/dbraw/zinc/56/88/68/483568868.db2.gz NOGLADRUMKYNEN-NSHDSACASA-N -1 0 355.391 -0.937 20 0 FBADRM COc1cc(CCNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1C ZINC000643162873 483568348 /nfs/dbraw/zinc/56/83/48/483568348.db2.gz GJTRWJBVJMVIER-AWEZNQCLSA-N -1 0 350.371 -0.026 20 0 FBADRM COc1cc(CCNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1C ZINC000643162874 483568912 /nfs/dbraw/zinc/56/89/12/483568912.db2.gz GJTRWJBVJMVIER-CQSZACIVSA-N -1 0 350.371 -0.026 20 0 FBADRM CCc1ccc([C@H](COC)NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)o1 ZINC000643163303 483569757 /nfs/dbraw/zinc/56/97/57/483569757.db2.gz DYXNEFJRNLKDMS-AAEUAGOBSA-N -1 0 354.359 -0.042 20 0 FBADRM CCc1ccc([C@@H](COC)NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)o1 ZINC000643163304 483569920 /nfs/dbraw/zinc/56/99/20/483569920.db2.gz DYXNEFJRNLKDMS-DGCLKSJQSA-N -1 0 354.359 -0.042 20 0 FBADRM CCc1ccc([C@H](COC)NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)o1 ZINC000643163305 483569611 /nfs/dbraw/zinc/56/96/11/483569611.db2.gz DYXNEFJRNLKDMS-WCQYABFASA-N -1 0 354.359 -0.042 20 0 FBADRM CCc1ccc([C@@H](COC)NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)o1 ZINC000643163306 483569974 /nfs/dbraw/zinc/56/99/74/483569974.db2.gz DYXNEFJRNLKDMS-YPMHNXCESA-N -1 0 354.359 -0.042 20 0 FBADRM CN(C(=O)CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)C1CCCCC1 ZINC000643164231 483569941 /nfs/dbraw/zinc/56/99/41/483569941.db2.gz CIOLASAJFDJSMM-GFCCVEGCSA-N -1 0 355.391 -0.794 20 0 FBADRM CN(C(=O)CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)C1CCCCC1 ZINC000643164232 483570232 /nfs/dbraw/zinc/57/02/32/483570232.db2.gz CIOLASAJFDJSMM-LBPRGKRZSA-N -1 0 355.391 -0.794 20 0 FBADRM COc1cccc(OCCCNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000643164311 483569643 /nfs/dbraw/zinc/56/96/43/483569643.db2.gz QDGWXZZQFCBLSQ-AWEZNQCLSA-N -1 0 366.370 -0.108 20 0 FBADRM COc1cccc(OCCCNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000643164312 483570098 /nfs/dbraw/zinc/57/00/98/483570098.db2.gz QDGWXZZQFCBLSQ-CQSZACIVSA-N -1 0 366.370 -0.108 20 0 FBADRM COC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643165089 483571019 /nfs/dbraw/zinc/57/10/19/483571019.db2.gz DPGODYIZFICTDD-KBPBESRZSA-N -1 0 350.371 -0.328 20 0 FBADRM COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643165090 483570860 /nfs/dbraw/zinc/57/08/60/483570860.db2.gz DPGODYIZFICTDD-KGLIPLIRSA-N -1 0 350.371 -0.328 20 0 FBADRM COC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643165091 483571320 /nfs/dbraw/zinc/57/13/20/483571320.db2.gz DPGODYIZFICTDD-UONOGXRCSA-N -1 0 350.371 -0.328 20 0 FBADRM COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643165092 483571050 /nfs/dbraw/zinc/57/10/50/483571050.db2.gz DPGODYIZFICTDD-ZIAGYGMSSA-N -1 0 350.371 -0.328 20 0 FBADRM COc1ccccc1O[C@H](C)CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643165151 483570975 /nfs/dbraw/zinc/57/09/75/483570975.db2.gz IEDDAGGIYLXGED-BXUZGUMPSA-N -1 0 366.370 -0.109 20 0 FBADRM COc1ccccc1O[C@@H](C)CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643165152 483571159 /nfs/dbraw/zinc/57/11/59/483571159.db2.gz IEDDAGGIYLXGED-FZMZJTMJSA-N -1 0 366.370 -0.109 20 0 FBADRM COc1ccccc1O[C@H](C)CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643165153 483571076 /nfs/dbraw/zinc/57/10/76/483571076.db2.gz IEDDAGGIYLXGED-RISCZKNCSA-N -1 0 366.370 -0.109 20 0 FBADRM COc1ccccc1O[C@@H](C)CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643165154 483571404 /nfs/dbraw/zinc/57/14/04/483571404.db2.gz IEDDAGGIYLXGED-SMDDNHRTSA-N -1 0 366.370 -0.109 20 0 FBADRM COc1cccc(O[C@H](C)CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000643165273 483570917 /nfs/dbraw/zinc/57/09/17/483570917.db2.gz YICMPVZHGAFPQC-BXUZGUMPSA-N -1 0 366.370 -0.109 20 0 FBADRM COc1cccc(O[C@@H](C)CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000643165274 483571527 /nfs/dbraw/zinc/57/15/27/483571527.db2.gz YICMPVZHGAFPQC-FZMZJTMJSA-N -1 0 366.370 -0.109 20 0 FBADRM COc1cccc(O[C@H](C)CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000643165275 483570923 /nfs/dbraw/zinc/57/09/23/483570923.db2.gz YICMPVZHGAFPQC-RISCZKNCSA-N -1 0 366.370 -0.109 20 0 FBADRM COc1cccc(O[C@@H](C)CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000643165276 483571454 /nfs/dbraw/zinc/57/14/54/483571454.db2.gz YICMPVZHGAFPQC-SMDDNHRTSA-N -1 0 366.370 -0.109 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCn2c(=O)[nH]c3ccccc32)CCO1 ZINC000643167176 483576197 /nfs/dbraw/zinc/57/61/97/483576197.db2.gz MYIBRNBKOFWBNO-GFCCVEGCSA-N -1 0 362.342 -0.830 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCn2c(=O)[nH]c3ccccc32)CCO1 ZINC000643167177 483576759 /nfs/dbraw/zinc/57/67/59/483576759.db2.gz MYIBRNBKOFWBNO-LBPRGKRZSA-N -1 0 362.342 -0.830 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)CCO1 ZINC000643167584 483577465 /nfs/dbraw/zinc/57/74/65/483577465.db2.gz NWJXGINQOGTBEK-CHWSQXEVSA-N -1 0 367.402 -0.652 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)CCO1 ZINC000643167585 483577909 /nfs/dbraw/zinc/57/79/09/483577909.db2.gz NWJXGINQOGTBEK-OLZOCXBDSA-N -1 0 367.402 -0.652 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)CCO1 ZINC000643167586 483577717 /nfs/dbraw/zinc/57/77/17/483577717.db2.gz NWJXGINQOGTBEK-QWHCGFSZSA-N -1 0 367.402 -0.652 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)CCO1 ZINC000643167587 483577513 /nfs/dbraw/zinc/57/75/13/483577513.db2.gz NWJXGINQOGTBEK-STQMWFEESA-N -1 0 367.402 -0.652 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000643167656 483579114 /nfs/dbraw/zinc/57/91/14/483579114.db2.gz VDKMQMQOFQSRHO-AAEUAGOBSA-N -1 0 351.403 -0.031 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000643167657 483578683 /nfs/dbraw/zinc/57/86/83/483578683.db2.gz VDKMQMQOFQSRHO-DGCLKSJQSA-N -1 0 351.403 -0.031 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000643167658 483578637 /nfs/dbraw/zinc/57/86/37/483578637.db2.gz VDKMQMQOFQSRHO-WCQYABFASA-N -1 0 351.403 -0.031 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000643167659 483578350 /nfs/dbraw/zinc/57/83/50/483578350.db2.gz VDKMQMQOFQSRHO-YPMHNXCESA-N -1 0 351.403 -0.031 20 0 FBADRM Cc1ccc2c(c1)nc(CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)n2C ZINC000643168148 483584273 /nfs/dbraw/zinc/58/42/73/483584273.db2.gz NDNPXTWCNGKFCE-CYBMUJFWSA-N -1 0 360.370 -0.190 20 0 FBADRM Cc1ccc2c(c1)nc(CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)n2C ZINC000643168149 483584637 /nfs/dbraw/zinc/58/46/37/483584637.db2.gz NDNPXTWCNGKFCE-ZDUSSCGKSA-N -1 0 360.370 -0.190 20 0 FBADRM CC(C)Oc1cc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccn1 ZINC000643168170 483584621 /nfs/dbraw/zinc/58/46/21/483584621.db2.gz RDOOAPMFIDIZTQ-GFCCVEGCSA-N -1 0 351.359 -0.203 20 0 FBADRM CC(C)Oc1cc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)ccn1 ZINC000643168171 483584677 /nfs/dbraw/zinc/58/46/77/483584677.db2.gz RDOOAPMFIDIZTQ-LBPRGKRZSA-N -1 0 351.359 -0.203 20 0 FBADRM CCCCn1cc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(C)n1 ZINC000643168557 483589361 /nfs/dbraw/zinc/58/93/61/483589361.db2.gz DYQCDRXJHZBXGX-CYBMUJFWSA-N -1 0 352.391 -0.080 20 0 FBADRM CCCCn1cc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c(C)n1 ZINC000643168558 483588997 /nfs/dbraw/zinc/58/89/97/483588997.db2.gz DYQCDRXJHZBXGX-ZDUSSCGKSA-N -1 0 352.391 -0.080 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CCO1 ZINC000643169283 483597773 /nfs/dbraw/zinc/59/77/73/483597773.db2.gz LSFTUKRDJVFTFZ-AAEUAGOBSA-N -1 0 367.402 -0.652 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)CCO1 ZINC000643169284 483598013 /nfs/dbraw/zinc/59/80/13/483598013.db2.gz LSFTUKRDJVFTFZ-DGCLKSJQSA-N -1 0 367.402 -0.652 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CCO1 ZINC000643169285 483597766 /nfs/dbraw/zinc/59/77/66/483597766.db2.gz LSFTUKRDJVFTFZ-WCQYABFASA-N -1 0 367.402 -0.652 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)CCO1 ZINC000643169286 483597935 /nfs/dbraw/zinc/59/79/35/483597935.db2.gz LSFTUKRDJVFTFZ-YPMHNXCESA-N -1 0 367.402 -0.652 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCOc2ccc(Cl)cn2)CCO1 ZINC000643169343 483597435 /nfs/dbraw/zinc/59/74/35/483597435.db2.gz SOQWWILMNKLGRC-JTQLQIEISA-N -1 0 357.750 -0.458 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCOc2ccc(Cl)cn2)CCO1 ZINC000643169344 483597476 /nfs/dbraw/zinc/59/74/76/483597476.db2.gz SOQWWILMNKLGRC-SNVBAGLBSA-N -1 0 357.750 -0.458 20 0 FBADRM COc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)CCO2 ZINC000643169352 483598029 /nfs/dbraw/zinc/59/80/29/483598029.db2.gz VHKPWOGPPYPPJU-GXTWGEPZSA-N -1 0 364.354 -0.053 20 0 FBADRM COc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)CCO2 ZINC000643169353 483597381 /nfs/dbraw/zinc/59/73/81/483597381.db2.gz VHKPWOGPPYPPJU-JSGCOSHPSA-N -1 0 364.354 -0.053 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCOc2ncccc2Cl)CCO1 ZINC000643169375 483597361 /nfs/dbraw/zinc/59/73/61/483597361.db2.gz WCOPXXNOYSMHGN-JTQLQIEISA-N -1 0 357.750 -0.458 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCOc2ncccc2Cl)CCO1 ZINC000643169376 483597712 /nfs/dbraw/zinc/59/77/12/483597712.db2.gz WCOPXXNOYSMHGN-SNVBAGLBSA-N -1 0 357.750 -0.458 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1cn(-c2ccccc2)nn1 ZINC000643169377 483597612 /nfs/dbraw/zinc/59/76/12/483597612.db2.gz WECFDWPAEAIMNC-BXUZGUMPSA-N -1 0 373.369 -0.244 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1cn(-c2ccccc2)nn1 ZINC000643169378 483597819 /nfs/dbraw/zinc/59/78/19/483597819.db2.gz WECFDWPAEAIMNC-FZMZJTMJSA-N -1 0 373.369 -0.244 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1cn(-c2ccccc2)nn1 ZINC000643169379 483597479 /nfs/dbraw/zinc/59/74/79/483597479.db2.gz WECFDWPAEAIMNC-RISCZKNCSA-N -1 0 373.369 -0.244 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1cn(-c2ccccc2)nn1 ZINC000643169380 483597917 /nfs/dbraw/zinc/59/79/17/483597917.db2.gz WECFDWPAEAIMNC-SMDDNHRTSA-N -1 0 373.369 -0.244 20 0 FBADRM COc1ccc2c(c1)OC[C@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)C2 ZINC000643169754 483598729 /nfs/dbraw/zinc/59/87/29/483598729.db2.gz ARCWGKQBJQJQDB-BXUZGUMPSA-N -1 0 364.354 -0.573 20 0 FBADRM COc1ccc2c(c1)OC[C@@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)C2 ZINC000643169755 483598749 /nfs/dbraw/zinc/59/87/49/483598749.db2.gz ARCWGKQBJQJQDB-FZMZJTMJSA-N -1 0 364.354 -0.573 20 0 FBADRM COc1ccc2c(c1)OC[C@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)C2 ZINC000643169756 483598634 /nfs/dbraw/zinc/59/86/34/483598634.db2.gz ARCWGKQBJQJQDB-RISCZKNCSA-N -1 0 364.354 -0.573 20 0 FBADRM COc1ccc2c(c1)OC[C@@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)C2 ZINC000643169758 483599198 /nfs/dbraw/zinc/59/91/98/483599198.db2.gz ARCWGKQBJQJQDB-SMDDNHRTSA-N -1 0 364.354 -0.573 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CCO1 ZINC000643169886 483599136 /nfs/dbraw/zinc/59/91/36/483599136.db2.gz QFEHLANRXGZJEW-LOWDOPEQSA-N -1 0 352.387 -0.238 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CCO1 ZINC000643169889 483598774 /nfs/dbraw/zinc/59/87/74/483598774.db2.gz QFEHLANRXGZJEW-RVMXOQNASA-N -1 0 352.387 -0.238 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CCO1 ZINC000643169892 483599391 /nfs/dbraw/zinc/59/93/91/483599391.db2.gz QFEHLANRXGZJEW-UMSGYPCISA-N -1 0 352.387 -0.238 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CCO1 ZINC000643169894 483598602 /nfs/dbraw/zinc/59/86/02/483598602.db2.gz QFEHLANRXGZJEW-WUHRBBMRSA-N -1 0 352.387 -0.238 20 0 FBADRM COCC[C@@H](Cc1ccco1)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643170585 483603075 /nfs/dbraw/zinc/60/30/75/483603075.db2.gz AVPDVUDLGBZIPK-AAEUAGOBSA-N -1 0 354.359 -0.345 20 0 FBADRM COCC[C@H](Cc1ccco1)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643170586 483603212 /nfs/dbraw/zinc/60/32/12/483603212.db2.gz AVPDVUDLGBZIPK-DGCLKSJQSA-N -1 0 354.359 -0.345 20 0 FBADRM COCC[C@@H](Cc1ccco1)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643170587 483603317 /nfs/dbraw/zinc/60/33/17/483603317.db2.gz AVPDVUDLGBZIPK-WCQYABFASA-N -1 0 354.359 -0.345 20 0 FBADRM COCC[C@H](Cc1ccco1)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643170588 483602733 /nfs/dbraw/zinc/60/27/33/483602733.db2.gz AVPDVUDLGBZIPK-YPMHNXCESA-N -1 0 354.359 -0.345 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccc(-n2ccnn2)cc1 ZINC000643170624 483603346 /nfs/dbraw/zinc/60/33/46/483603346.db2.gz HWJHMNFEHBHZLC-BXUZGUMPSA-N -1 0 373.369 -0.244 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccc(-n2ccnn2)cc1 ZINC000643170625 483603022 /nfs/dbraw/zinc/60/30/22/483603022.db2.gz HWJHMNFEHBHZLC-FZMZJTMJSA-N -1 0 373.369 -0.244 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccc(-n2ccnn2)cc1 ZINC000643170626 483603388 /nfs/dbraw/zinc/60/33/88/483603388.db2.gz HWJHMNFEHBHZLC-RISCZKNCSA-N -1 0 373.369 -0.244 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccc(-n2ccnn2)cc1 ZINC000643170627 483603817 /nfs/dbraw/zinc/60/38/17/483603817.db2.gz HWJHMNFEHBHZLC-SMDDNHRTSA-N -1 0 373.369 -0.244 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2cccnc2OCC(F)F)CCO1 ZINC000643170681 483604208 /nfs/dbraw/zinc/60/42/08/483604208.db2.gz RSABUGIRPAOAHN-JTQLQIEISA-N -1 0 373.312 -0.346 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2cccnc2OCC(F)F)CCO1 ZINC000643170682 483604405 /nfs/dbraw/zinc/60/44/05/483604405.db2.gz RSABUGIRPAOAHN-SNVBAGLBSA-N -1 0 373.312 -0.346 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@H]2COc3cc(F)cc(F)c32)CCO1 ZINC000643171027 483614057 /nfs/dbraw/zinc/61/40/57/483614057.db2.gz JWSPEQJDSHQPQR-GXSJLCMTSA-N -1 0 356.281 -0.174 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2COc3cc(F)cc(F)c32)CCO1 ZINC000643171028 483613763 /nfs/dbraw/zinc/61/37/63/483613763.db2.gz JWSPEQJDSHQPQR-KOLCDFICSA-N -1 0 356.281 -0.174 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2COc3cc(F)cc(F)c32)CCO1 ZINC000643171029 483614094 /nfs/dbraw/zinc/61/40/94/483614094.db2.gz JWSPEQJDSHQPQR-MWLCHTKSSA-N -1 0 356.281 -0.174 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H]2COc3cc(F)cc(F)c32)CCO1 ZINC000643171030 483614530 /nfs/dbraw/zinc/61/45/30/483614530.db2.gz JWSPEQJDSHQPQR-ONGXEEELSA-N -1 0 356.281 -0.174 20 0 FBADRM Cc1cc(CCNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc(C)c1O ZINC000643171689 483642916 /nfs/dbraw/zinc/64/29/16/483642916.db2.gz MYCYEPQYKQIUFP-CYBMUJFWSA-N -1 0 350.371 -0.020 20 0 FBADRM Cc1cc(CCNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc(C)c1O ZINC000643171690 483642955 /nfs/dbraw/zinc/64/29/55/483642955.db2.gz MYCYEPQYKQIUFP-ZDUSSCGKSA-N -1 0 350.371 -0.020 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)CCO1 ZINC000643174186 483681580 /nfs/dbraw/zinc/68/15/80/483681580.db2.gz SUQOPCHSXRHIRD-GXTWGEPZSA-N -1 0 365.361 -0.167 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)CCO1 ZINC000643174187 483681537 /nfs/dbraw/zinc/68/15/37/483681537.db2.gz SUQOPCHSXRHIRD-JSGCOSHPSA-N -1 0 365.361 -0.167 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)CCO1 ZINC000643174188 483681493 /nfs/dbraw/zinc/68/14/93/483681493.db2.gz SUQOPCHSXRHIRD-OCCSQVGLSA-N -1 0 365.361 -0.167 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)CCO1 ZINC000643174189 483681546 /nfs/dbraw/zinc/68/15/46/483681546.db2.gz SUQOPCHSXRHIRD-TZMCWYRMSA-N -1 0 365.361 -0.167 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000643174753 483681556 /nfs/dbraw/zinc/68/15/56/483681556.db2.gz LRYXAILWGCKYNM-UHFFFAOYSA-N -1 0 354.407 -0.283 20 0 FBADRM COCCN1CCN(C(=O)C(=O)NCc2cccc(C(=O)[O-])c2)CC1=O ZINC000643178970 483696168 /nfs/dbraw/zinc/69/61/68/483696168.db2.gz RLOSEDVAKVCCTH-UHFFFAOYSA-N -1 0 363.370 -0.682 20 0 FBADRM CN(C)C(=O)N1CCN(C(=O)C(=O)NCc2cccc(C(=O)[O-])c2)CC1 ZINC000643179533 483697240 /nfs/dbraw/zinc/69/72/40/483697240.db2.gz GDIFLNHWUSGWTI-UHFFFAOYSA-N -1 0 362.386 -0.173 20 0 FBADRM COCC(=O)N1CCN(C(=O)C(=O)NCc2cccc(C(=O)[O-])c2)CC1 ZINC000643179571 483696721 /nfs/dbraw/zinc/69/67/21/483696721.db2.gz HPLDFWWPOOZVQH-UHFFFAOYSA-N -1 0 363.370 -0.682 20 0 FBADRM C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000643179945 483696657 /nfs/dbraw/zinc/69/66/57/483696657.db2.gz SVHDXBAAEYQYRD-BXUZGUMPSA-N -1 0 350.371 -0.001 20 0 FBADRM C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000643179946 483696529 /nfs/dbraw/zinc/69/65/29/483696529.db2.gz SVHDXBAAEYQYRD-FZMZJTMJSA-N -1 0 350.371 -0.001 20 0 FBADRM C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000643179947 483696479 /nfs/dbraw/zinc/69/64/79/483696479.db2.gz SVHDXBAAEYQYRD-RISCZKNCSA-N -1 0 350.371 -0.001 20 0 FBADRM C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000643179948 483696860 /nfs/dbraw/zinc/69/68/60/483696860.db2.gz SVHDXBAAEYQYRD-SMDDNHRTSA-N -1 0 350.371 -0.001 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)C(=O)NCc2cccc(C(=O)[O-])c2)CC1 ZINC000643180870 483698430 /nfs/dbraw/zinc/69/84/30/483698430.db2.gz WRWQMQOLLLZHFN-UHFFFAOYSA-N -1 0 369.399 -0.895 20 0 FBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000643427886 484542233 /nfs/dbraw/zinc/54/22/33/484542233.db2.gz VCYJEMACEYZTKC-JTQLQIEISA-N -1 0 369.399 -0.137 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000643427892 484542550 /nfs/dbraw/zinc/54/25/50/484542550.db2.gz VCYJEMACEYZTKC-SNVBAGLBSA-N -1 0 369.399 -0.137 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000643430792 483904343 /nfs/dbraw/zinc/90/43/43/483904343.db2.gz JFLQHWDDENIUIC-LLVKDONJSA-N -1 0 365.371 -0.950 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000643430793 483904468 /nfs/dbraw/zinc/90/44/68/483904468.db2.gz JFLQHWDDENIUIC-NSHDSACASA-N -1 0 365.371 -0.950 20 0 FBADRM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000643430943 483905053 /nfs/dbraw/zinc/90/50/53/483905053.db2.gz OXJXMKZNOXFGPA-CWSCBRNRSA-N -1 0 355.368 -0.075 20 0 FBADRM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000643430944 483904305 /nfs/dbraw/zinc/90/43/05/483904305.db2.gz OXJXMKZNOXFGPA-KWBADKCTSA-N -1 0 355.368 -0.075 20 0 FBADRM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000643430945 483904909 /nfs/dbraw/zinc/90/49/09/483904909.db2.gz OXJXMKZNOXFGPA-OPQQBVKSSA-N -1 0 355.368 -0.075 20 0 FBADRM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000643430946 483904812 /nfs/dbraw/zinc/90/48/12/483904812.db2.gz OXJXMKZNOXFGPA-OUJBWJOFSA-N -1 0 355.368 -0.075 20 0 FBADRM COc1cccc(COCC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC000643431305 483904824 /nfs/dbraw/zinc/90/48/24/483904824.db2.gz GGKDZSHMNPBOBN-CYBMUJFWSA-N -1 0 357.384 -0.078 20 0 FBADRM COc1cccc(COCC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC000643431306 483904505 /nfs/dbraw/zinc/90/45/05/483904505.db2.gz GGKDZSHMNPBOBN-ZDUSSCGKSA-N -1 0 357.384 -0.078 20 0 FBADRM CCC(CC)N1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])CC1=O ZINC000643431311 483904357 /nfs/dbraw/zinc/90/43/57/483904357.db2.gz GIGXGIJJHFLWMX-CMPLNLGQSA-N -1 0 360.432 -0.266 20 0 FBADRM CCC(CC)N1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])CC1=O ZINC000643431312 483905936 /nfs/dbraw/zinc/90/59/36/483905936.db2.gz GIGXGIJJHFLWMX-JQWIXIFHSA-N -1 0 360.432 -0.266 20 0 FBADRM CCC(CC)N1C[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])CC1=O ZINC000643431313 483906115 /nfs/dbraw/zinc/90/61/15/483906115.db2.gz GIGXGIJJHFLWMX-PWSUYJOCSA-N -1 0 360.432 -0.266 20 0 FBADRM CCC(CC)N1C[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])CC1=O ZINC000643431314 483905923 /nfs/dbraw/zinc/90/59/23/483905923.db2.gz GIGXGIJJHFLWMX-ZYHUDNBSSA-N -1 0 360.432 -0.266 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)COCCOc1ccccc1 ZINC000643431367 483904635 /nfs/dbraw/zinc/90/46/35/483904635.db2.gz IHJHBIVJSAPWKO-CYBMUJFWSA-N -1 0 357.384 -0.208 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)COCCOc1ccccc1 ZINC000643431368 483904363 /nfs/dbraw/zinc/90/43/63/483904363.db2.gz IHJHBIVJSAPWKO-ZDUSSCGKSA-N -1 0 357.384 -0.208 20 0 FBADRM COc1ccc(COCC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1 ZINC000643431461 483905971 /nfs/dbraw/zinc/90/59/71/483905971.db2.gz LRDVYPXZFBTNHD-CYBMUJFWSA-N -1 0 357.384 -0.078 20 0 FBADRM COc1ccc(COCC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1 ZINC000643431462 483905930 /nfs/dbraw/zinc/90/59/30/483905930.db2.gz LRDVYPXZFBTNHD-ZDUSSCGKSA-N -1 0 357.384 -0.078 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000643431796 483906075 /nfs/dbraw/zinc/90/60/75/483906075.db2.gz YBPKNBPEGFEPKY-JTQLQIEISA-N -1 0 360.775 -0.011 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000643431797 483906237 /nfs/dbraw/zinc/90/62/37/483906237.db2.gz YBPKNBPEGFEPKY-SNVBAGLBSA-N -1 0 360.775 -0.011 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000643431846 483906247 /nfs/dbraw/zinc/90/62/47/483906247.db2.gz ZBWZRWUZVFUUAH-AAEUAGOBSA-N -1 0 372.443 -0.122 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000643431847 483905876 /nfs/dbraw/zinc/90/58/76/483905876.db2.gz ZBWZRWUZVFUUAH-DGCLKSJQSA-N -1 0 372.443 -0.122 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000643431848 483905979 /nfs/dbraw/zinc/90/59/79/483905979.db2.gz ZBWZRWUZVFUUAH-WCQYABFASA-N -1 0 372.443 -0.122 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000643431849 483906210 /nfs/dbraw/zinc/90/62/10/483906210.db2.gz ZBWZRWUZVFUUAH-YPMHNXCESA-N -1 0 372.443 -0.122 20 0 FBADRM O=C(CCC1CCCC1)NCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000643431979 483905638 /nfs/dbraw/zinc/90/56/38/483905638.db2.gz CTRBWYMNCDGFBZ-GFCCVEGCSA-N -1 0 360.432 -0.217 20 0 FBADRM O=C(CCC1CCCC1)NCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000643431980 483906285 /nfs/dbraw/zinc/90/62/85/483906285.db2.gz CTRBWYMNCDGFBZ-LBPRGKRZSA-N -1 0 360.432 -0.217 20 0 FBADRM CN(CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])c1ccc(Cl)cn1 ZINC000643432043 483907186 /nfs/dbraw/zinc/90/71/86/483907186.db2.gz FONNRJIERLTVND-JTQLQIEISA-N -1 0 361.807 -0.119 20 0 FBADRM CN(CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])c1ccc(Cl)cn1 ZINC000643432044 483907330 /nfs/dbraw/zinc/90/73/30/483907330.db2.gz FONNRJIERLTVND-SNVBAGLBSA-N -1 0 361.807 -0.119 20 0 FBADRM O=C(CC1CCCCC1)NCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000643432228 483905811 /nfs/dbraw/zinc/90/58/11/483905811.db2.gz LGPLAGDUTIGVRW-GFCCVEGCSA-N -1 0 360.432 -0.217 20 0 FBADRM O=C(CC1CCCCC1)NCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000643432229 483905940 /nfs/dbraw/zinc/90/59/40/483905940.db2.gz LGPLAGDUTIGVRW-LBPRGKRZSA-N -1 0 360.432 -0.217 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CNC(=O)NC1CCCCC1 ZINC000643432262 483905493 /nfs/dbraw/zinc/90/54/93/483905493.db2.gz MHCWDKANDWTNCS-LLVKDONJSA-N -1 0 361.420 -0.672 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CNC(=O)NC1CCCCC1 ZINC000643432263 483905985 /nfs/dbraw/zinc/90/59/85/483905985.db2.gz MHCWDKANDWTNCS-NSHDSACASA-N -1 0 361.420 -0.672 20 0 FBADRM CCC[C@H](C)N1C[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])CC1=O ZINC000643432400 483906888 /nfs/dbraw/zinc/90/68/88/483906888.db2.gz QGENVGIVJVBZEF-QJPTWQEYSA-N -1 0 360.432 -0.266 20 0 FBADRM CCC[C@H](C)N1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])CC1=O ZINC000643432401 483907266 /nfs/dbraw/zinc/90/72/66/483907266.db2.gz QGENVGIVJVBZEF-SDDRHHMPSA-N -1 0 360.432 -0.266 20 0 FBADRM CCC[C@H](C)N1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])CC1=O ZINC000643432402 483906847 /nfs/dbraw/zinc/90/68/47/483906847.db2.gz QGENVGIVJVBZEF-SRVKXCTJSA-N -1 0 360.432 -0.266 20 0 FBADRM CCC[C@H](C)N1C[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])CC1=O ZINC000643432403 483907447 /nfs/dbraw/zinc/90/74/47/483907447.db2.gz QGENVGIVJVBZEF-TUAOUCFPSA-N -1 0 360.432 -0.266 20 0 FBADRM COc1ccc2c(c1)C[C@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])CO2 ZINC000643432450 483907178 /nfs/dbraw/zinc/90/71/78/483907178.db2.gz RHZKUZMBNGXJKT-AAEUAGOBSA-N -1 0 369.395 -0.044 20 0 FBADRM COc1ccc2c(c1)C[C@@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])CO2 ZINC000643432451 483907387 /nfs/dbraw/zinc/90/73/87/483907387.db2.gz RHZKUZMBNGXJKT-DGCLKSJQSA-N -1 0 369.395 -0.044 20 0 FBADRM COc1ccc2c(c1)C[C@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])CO2 ZINC000643432452 483907019 /nfs/dbraw/zinc/90/70/19/483907019.db2.gz RHZKUZMBNGXJKT-WCQYABFASA-N -1 0 369.395 -0.044 20 0 FBADRM COc1ccc2c(c1)C[C@@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])CO2 ZINC000643432453 483907396 /nfs/dbraw/zinc/90/73/96/483907396.db2.gz RHZKUZMBNGXJKT-YPMHNXCESA-N -1 0 369.395 -0.044 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)Cn1cc(-c2ccccc2)nn1 ZINC000643432740 483906981 /nfs/dbraw/zinc/90/69/81/483906981.db2.gz YXDSPVWXGNKNBB-CYBMUJFWSA-N -1 0 364.383 -0.345 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)Cn1cc(-c2ccccc2)nn1 ZINC000643432741 483906700 /nfs/dbraw/zinc/90/67/00/483906700.db2.gz YXDSPVWXGNKNBB-ZDUSSCGKSA-N -1 0 364.383 -0.345 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)C(=O)NCCCc1ccccc1 ZINC000643432774 483906744 /nfs/dbraw/zinc/90/67/44/483906744.db2.gz ZTYIQVAOQMYXGF-CYBMUJFWSA-N -1 0 368.411 -0.554 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)NCCCc1ccccc1 ZINC000643432775 483907160 /nfs/dbraw/zinc/90/71/60/483907160.db2.gz ZTYIQVAOQMYXGF-ZDUSSCGKSA-N -1 0 368.411 -0.554 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CNC(=O)c1cccc(Cl)c1 ZINC000643433133 483907303 /nfs/dbraw/zinc/90/73/03/483907303.db2.gz PZECCHYTHLTTKF-LLVKDONJSA-N -1 0 374.802 -0.220 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CNC(=O)c1cccc(Cl)c1 ZINC000643433134 483906988 /nfs/dbraw/zinc/90/69/88/483906988.db2.gz PZECCHYTHLTTKF-NSHDSACASA-N -1 0 374.802 -0.220 20 0 FBADRM Cc1ccc(C(=O)NCC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1C ZINC000643433149 483906735 /nfs/dbraw/zinc/90/67/35/483906735.db2.gz QKXRYHLLEIEGBC-CYBMUJFWSA-N -1 0 368.411 -0.257 20 0 FBADRM Cc1ccc(C(=O)NCC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1C ZINC000643433150 483907172 /nfs/dbraw/zinc/90/71/72/483907172.db2.gz QKXRYHLLEIEGBC-ZDUSSCGKSA-N -1 0 368.411 -0.257 20 0 FBADRM Cc1cc(C)cc(C(=O)NCC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC000643433313 483906972 /nfs/dbraw/zinc/90/69/72/483906972.db2.gz XXWAFEVPXYTJCW-CYBMUJFWSA-N -1 0 368.411 -0.257 20 0 FBADRM Cc1cc(C)cc(C(=O)NCC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC000643433314 483907340 /nfs/dbraw/zinc/90/73/40/483907340.db2.gz XXWAFEVPXYTJCW-ZDUSSCGKSA-N -1 0 368.411 -0.257 20 0 FBADRM O=C(CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-])Nc1nc2c(s1)CCC2 ZINC000643435070 483907195 /nfs/dbraw/zinc/90/71/95/483907195.db2.gz GDKFJVDIKYDLDQ-SECBINFHSA-N -1 0 359.429 -0.246 20 0 FBADRM O=C(CN1CCS(=O)(=O)C[C@H]1C(=O)[O-])Nc1nc2c(s1)CCC2 ZINC000643435071 483906788 /nfs/dbraw/zinc/90/67/88/483906788.db2.gz GDKFJVDIKYDLDQ-VIFPVBQESA-N -1 0 359.429 -0.246 20 0 FBADRM CC(C)CCOCCNC(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000643435161 483907277 /nfs/dbraw/zinc/90/72/77/483907277.db2.gz BCEMFZLOZJJQRI-GFCCVEGCSA-N -1 0 350.437 -0.651 20 0 FBADRM CC(C)CCOCCNC(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000643435162 483906754 /nfs/dbraw/zinc/90/67/54/483906754.db2.gz BCEMFZLOZJJQRI-LBPRGKRZSA-N -1 0 350.437 -0.651 20 0 FBADRM CC(C)N(CC(F)(F)F)C(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000643435175 483907215 /nfs/dbraw/zinc/90/72/15/483907215.db2.gz BOIDPBXPQYDDBL-SECBINFHSA-N -1 0 360.354 -0.031 20 0 FBADRM CC(C)N(CC(F)(F)F)C(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000643435176 483907136 /nfs/dbraw/zinc/90/71/36/483907136.db2.gz BOIDPBXPQYDDBL-VIFPVBQESA-N -1 0 360.354 -0.031 20 0 FBADRM CN(Cc1ccccc1F)C(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000643435294 483907364 /nfs/dbraw/zinc/90/73/64/483907364.db2.gz FIQNYRCXDGQXAQ-CYBMUJFWSA-N -1 0 358.391 -0.032 20 0 FBADRM CN(Cc1ccccc1F)C(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000643435297 483907224 /nfs/dbraw/zinc/90/72/24/483907224.db2.gz FIQNYRCXDGQXAQ-ZDUSSCGKSA-N -1 0 358.391 -0.032 20 0 FBADRM CCOc1cccc(CNC(=O)CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC000643435356 483907370 /nfs/dbraw/zinc/90/73/70/483907370.db2.gz HECWRCNSXRDGIO-AWEZNQCLSA-N -1 0 370.427 -0.115 20 0 FBADRM CCOc1cccc(CNC(=O)CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC000643435357 483907143 /nfs/dbraw/zinc/90/71/43/483907143.db2.gz HECWRCNSXRDGIO-CQSZACIVSA-N -1 0 370.427 -0.115 20 0 FBADRM Cc1ccc(CNC(=O)CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1F ZINC000643435362 483907014 /nfs/dbraw/zinc/90/70/14/483907014.db2.gz HHRVTUOCRJFAHV-CYBMUJFWSA-N -1 0 358.391 -0.066 20 0 FBADRM Cc1ccc(CNC(=O)CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1F ZINC000643435363 483906855 /nfs/dbraw/zinc/90/68/55/483906855.db2.gz HHRVTUOCRJFAHV-ZDUSSCGKSA-N -1 0 358.391 -0.066 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CC(=O)NCCOc1cccc(F)c1 ZINC000643435364 483906894 /nfs/dbraw/zinc/90/68/94/483906894.db2.gz HIXWKDMGAVQJSU-CYBMUJFWSA-N -1 0 374.390 -0.496 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CC(=O)NCCOc1cccc(F)c1 ZINC000643435365 483907359 /nfs/dbraw/zinc/90/73/59/483907359.db2.gz HIXWKDMGAVQJSU-ZDUSSCGKSA-N -1 0 374.390 -0.496 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CC(=O)NCc1cc(F)cc(F)c1 ZINC000643435436 483907406 /nfs/dbraw/zinc/90/74/06/483907406.db2.gz JIWXLWVLRIMGSE-GFCCVEGCSA-N -1 0 362.354 -0.235 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CC(=O)NCc1cc(F)cc(F)c1 ZINC000643435437 483906824 /nfs/dbraw/zinc/90/68/24/483906824.db2.gz JIWXLWVLRIMGSE-LBPRGKRZSA-N -1 0 362.354 -0.235 20 0 FBADRM COc1ccccc1N1CC[C@@H](N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])C1=O ZINC000643435578 483907208 /nfs/dbraw/zinc/90/72/08/483907208.db2.gz PGRKYMYWHZPFOQ-CHWSQXEVSA-N -1 0 368.411 -0.016 20 0 FBADRM COc1ccccc1N1CC[C@@H](N2CCS(=O)(=O)C[C@H]2C(=O)[O-])C1=O ZINC000643435579 483907248 /nfs/dbraw/zinc/90/72/48/483907248.db2.gz PGRKYMYWHZPFOQ-OLZOCXBDSA-N -1 0 368.411 -0.016 20 0 FBADRM COc1ccccc1N1CC[C@H](N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])C1=O ZINC000643435580 483907270 /nfs/dbraw/zinc/90/72/70/483907270.db2.gz PGRKYMYWHZPFOQ-QWHCGFSZSA-N -1 0 368.411 -0.016 20 0 FBADRM COc1ccccc1N1CC[C@H](N2CCS(=O)(=O)C[C@H]2C(=O)[O-])C1=O ZINC000643435581 483907312 /nfs/dbraw/zinc/90/73/12/483907312.db2.gz PGRKYMYWHZPFOQ-STQMWFEESA-N -1 0 368.411 -0.016 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CC(=O)NCCOc1ccc(F)cc1 ZINC000643435717 483907297 /nfs/dbraw/zinc/90/72/97/483907297.db2.gz UTWVNUOWXXETEP-CYBMUJFWSA-N -1 0 374.390 -0.496 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CC(=O)NCCOc1ccc(F)cc1 ZINC000643435718 483906840 /nfs/dbraw/zinc/90/68/40/483906840.db2.gz UTWVNUOWXXETEP-ZDUSSCGKSA-N -1 0 374.390 -0.496 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000643435775 483907100 /nfs/dbraw/zinc/90/71/00/483907100.db2.gz XPSXBAHTQQUTKM-CHWSQXEVSA-N -1 0 368.411 -0.710 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000643435776 483907429 /nfs/dbraw/zinc/90/74/29/483907429.db2.gz XPSXBAHTQQUTKM-OLZOCXBDSA-N -1 0 368.411 -0.710 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000643435777 483907008 /nfs/dbraw/zinc/90/70/08/483907008.db2.gz XPSXBAHTQQUTKM-QWHCGFSZSA-N -1 0 368.411 -0.710 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000643435778 483906948 /nfs/dbraw/zinc/90/69/48/483906948.db2.gz XPSXBAHTQQUTKM-STQMWFEESA-N -1 0 368.411 -0.710 20 0 FBADRM Cc1ccccc1CCNC(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000643435820 483907156 /nfs/dbraw/zinc/90/71/56/483907156.db2.gz ZWZGAYIFJBRPIZ-AWEZNQCLSA-N -1 0 354.428 -0.163 20 0 FBADRM Cc1ccccc1CCNC(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000643435821 483906781 /nfs/dbraw/zinc/90/67/81/483906781.db2.gz ZWZGAYIFJBRPIZ-CQSZACIVSA-N -1 0 354.428 -0.163 20 0 FBADRM CN(Cc1ccc(F)cc1)C(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000643435956 483906867 /nfs/dbraw/zinc/90/68/67/483906867.db2.gz FOFLBVKWEBJIGW-CYBMUJFWSA-N -1 0 358.391 -0.032 20 0 FBADRM CN(Cc1ccc(F)cc1)C(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000643435957 483906864 /nfs/dbraw/zinc/90/68/64/483906864.db2.gz FOFLBVKWEBJIGW-ZDUSSCGKSA-N -1 0 358.391 -0.032 20 0 FBADRM Cc1cccc(OCCNC(=O)CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC000643436061 483906798 /nfs/dbraw/zinc/90/67/98/483906798.db2.gz MNCVVBNNIKKRAG-AWEZNQCLSA-N -1 0 370.427 -0.326 20 0 FBADRM Cc1cccc(OCCNC(=O)CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC000643436062 483907336 /nfs/dbraw/zinc/90/73/36/483907336.db2.gz MNCVVBNNIKKRAG-CQSZACIVSA-N -1 0 370.427 -0.326 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CC(=O)NCCCc1ccccc1 ZINC000643436169 483906929 /nfs/dbraw/zinc/90/69/29/483906929.db2.gz PZDQKOKYEYAPEH-AWEZNQCLSA-N -1 0 354.428 -0.081 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CC(=O)NCCCc1ccccc1 ZINC000643436173 483907376 /nfs/dbraw/zinc/90/73/76/483907376.db2.gz PZDQKOKYEYAPEH-CQSZACIVSA-N -1 0 354.428 -0.081 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CC(=O)NCCc1ccc(F)cc1 ZINC000643436201 483907254 /nfs/dbraw/zinc/90/72/54/483907254.db2.gz QTBZJIGYRQIMQG-CYBMUJFWSA-N -1 0 358.391 -0.332 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CC(=O)NCCc1ccc(F)cc1 ZINC000643436203 483908747 /nfs/dbraw/zinc/90/87/47/483908747.db2.gz QTBZJIGYRQIMQG-ZDUSSCGKSA-N -1 0 358.391 -0.332 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1cccc2nsnc21 ZINC000643436219 483908510 /nfs/dbraw/zinc/90/85/10/483908510.db2.gz RFWYNZRSMZPQMN-JTQLQIEISA-N -1 0 370.412 -0.187 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1cccc2nsnc21 ZINC000643436222 483908656 /nfs/dbraw/zinc/90/86/56/483908656.db2.gz RFWYNZRSMZPQMN-SNVBAGLBSA-N -1 0 370.412 -0.187 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CC(=O)NCCOc1ccccc1 ZINC000643436366 483908611 /nfs/dbraw/zinc/90/86/11/483908611.db2.gz XIFZTHBFRHIURH-CYBMUJFWSA-N -1 0 356.400 -0.635 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CC(=O)NCCOc1ccccc1 ZINC000643436367 483907865 /nfs/dbraw/zinc/90/78/65/483907865.db2.gz XIFZTHBFRHIURH-ZDUSSCGKSA-N -1 0 356.400 -0.635 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)nn1-c1ccccc1 ZINC000643443583 484250203 /nfs/dbraw/zinc/25/02/03/484250203.db2.gz FNHYNMRQSONUKW-CYBMUJFWSA-N -1 0 358.354 0.431 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)nn1-c1ccccc1 ZINC000643443588 484249220 /nfs/dbraw/zinc/24/92/20/484249220.db2.gz FNHYNMRQSONUKW-ZDUSSCGKSA-N -1 0 358.354 0.431 20 0 FBADRM Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643443603 484429799 /nfs/dbraw/zinc/42/97/99/484429799.db2.gz OWQGSYZKKUWUFY-CYBMUJFWSA-N -1 0 358.354 0.431 20 0 FBADRM Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643443605 484429962 /nfs/dbraw/zinc/42/99/62/484429962.db2.gz OWQGSYZKKUWUFY-ZDUSSCGKSA-N -1 0 358.354 0.431 20 0 FBADRM CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000643443799 483912112 /nfs/dbraw/zinc/91/21/12/483912112.db2.gz RNNFODWRZHZXRT-GFCCVEGCSA-N -1 0 374.357 -0.390 20 0 FBADRM CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000643443803 483912490 /nfs/dbraw/zinc/91/24/90/483912490.db2.gz RNNFODWRZHZXRT-LBPRGKRZSA-N -1 0 374.357 -0.390 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)CCO1 ZINC000643444337 484367877 /nfs/dbraw/zinc/36/78/77/484367877.db2.gz RCOFCNCQMGSVES-CYBMUJFWSA-N -1 0 358.354 0.182 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)CCO1 ZINC000643444338 484368374 /nfs/dbraw/zinc/36/83/74/484368374.db2.gz RCOFCNCQMGSVES-ZDUSSCGKSA-N -1 0 358.354 0.182 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000643451799 484093171 /nfs/dbraw/zinc/09/31/71/484093171.db2.gz VUUPBHVSAMEHEX-GRYCIOLGSA-N -1 0 351.403 -0.127 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000643451800 484093116 /nfs/dbraw/zinc/09/31/16/484093116.db2.gz VUUPBHVSAMEHEX-IJLUTSLNSA-N -1 0 351.403 -0.127 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000643451801 484093825 /nfs/dbraw/zinc/09/38/25/484093825.db2.gz VUUPBHVSAMEHEX-UTUOFQBUSA-N -1 0 351.403 -0.127 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000643451802 484093947 /nfs/dbraw/zinc/09/39/47/484093947.db2.gz VUUPBHVSAMEHEX-WOPDTQHZSA-N -1 0 351.403 -0.127 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3F)CC2)CCO1 ZINC000643452242 484127176 /nfs/dbraw/zinc/12/71/76/484127176.db2.gz VUGSQVTYLFXNMJ-AWEZNQCLSA-N -1 0 365.361 -0.214 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3F)CC2)CCO1 ZINC000643452243 484126873 /nfs/dbraw/zinc/12/68/73/484126873.db2.gz VUGSQVTYLFXNMJ-CQSZACIVSA-N -1 0 365.361 -0.214 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000643452318 484132582 /nfs/dbraw/zinc/13/25/82/484132582.db2.gz GNUGTCBSNDJCAU-AWEZNQCLSA-N -1 0 365.361 -0.214 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000643452319 484132098 /nfs/dbraw/zinc/13/20/98/484132098.db2.gz GNUGTCBSNDJCAU-CQSZACIVSA-N -1 0 365.361 -0.214 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3O)CC2)CCO1 ZINC000643452347 484132713 /nfs/dbraw/zinc/13/27/13/484132713.db2.gz JWUXZINLSJJCTA-AWEZNQCLSA-N -1 0 363.370 -0.647 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3O)CC2)CCO1 ZINC000643452348 484133036 /nfs/dbraw/zinc/13/30/36/484133036.db2.gz JWUXZINLSJJCTA-CQSZACIVSA-N -1 0 363.370 -0.647 20 0 FBADRM COCCN(Cc1ccccc1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643452624 484144473 /nfs/dbraw/zinc/14/44/73/484144473.db2.gz PJEHFDXHOTUINK-AWEZNQCLSA-N -1 0 350.371 -0.026 20 0 FBADRM COCCN(Cc1ccccc1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643452625 484144931 /nfs/dbraw/zinc/14/49/31/484144931.db2.gz PJEHFDXHOTUINK-CQSZACIVSA-N -1 0 350.371 -0.026 20 0 FBADRM COc1ccc(CN(C)C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1OC ZINC000643452869 484178037 /nfs/dbraw/zinc/17/80/37/484178037.db2.gz NYHBDLBRGSRSRW-AWEZNQCLSA-N -1 0 366.370 -0.026 20 0 FBADRM COc1ccc(CN(C)C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1OC ZINC000643452870 484178214 /nfs/dbraw/zinc/17/82/14/484178214.db2.gz NYHBDLBRGSRSRW-CQSZACIVSA-N -1 0 366.370 -0.026 20 0 FBADRM CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643452873 484178412 /nfs/dbraw/zinc/17/84/12/484178412.db2.gz OYVYHJLMGROXGC-BXUZGUMPSA-N -1 0 364.354 -0.403 20 0 FBADRM CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643452874 484178687 /nfs/dbraw/zinc/17/86/87/484178687.db2.gz OYVYHJLMGROXGC-FZMZJTMJSA-N -1 0 364.354 -0.403 20 0 FBADRM CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643452875 484178503 /nfs/dbraw/zinc/17/85/03/484178503.db2.gz OYVYHJLMGROXGC-RISCZKNCSA-N -1 0 364.354 -0.403 20 0 FBADRM CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643452876 484178621 /nfs/dbraw/zinc/17/86/21/484178621.db2.gz OYVYHJLMGROXGC-SMDDNHRTSA-N -1 0 364.354 -0.403 20 0 FBADRM Cc1ccccc1N1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000643452969 484186824 /nfs/dbraw/zinc/18/68/24/484186824.db2.gz AQMYGQLBNRFUKZ-HNNXBMFYSA-N -1 0 361.398 -0.044 20 0 FBADRM Cc1ccccc1N1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000643452971 484186846 /nfs/dbraw/zinc/18/68/46/484186846.db2.gz AQMYGQLBNRFUKZ-OAHLLOKOSA-N -1 0 361.398 -0.044 20 0 FBADRM CN(Cc1ccc2c(c1)OCCO2)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643453117 484187617 /nfs/dbraw/zinc/18/76/17/484187617.db2.gz IHXGQMQABAHBJI-AWEZNQCLSA-N -1 0 364.354 -0.272 20 0 FBADRM CN(Cc1ccc2c(c1)OCCO2)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643453118 484187674 /nfs/dbraw/zinc/18/76/74/484187674.db2.gz IHXGQMQABAHBJI-CQSZACIVSA-N -1 0 364.354 -0.272 20 0 FBADRM COc1ccc(OCCN(C)C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000643453397 484204318 /nfs/dbraw/zinc/20/43/18/484204318.db2.gz PAORVWAFQCXGRT-AWEZNQCLSA-N -1 0 366.370 -0.156 20 0 FBADRM COc1ccc(OCCN(C)C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000643453398 484203970 /nfs/dbraw/zinc/20/39/70/484203970.db2.gz PAORVWAFQCXGRT-CQSZACIVSA-N -1 0 366.370 -0.156 20 0 FBADRM CN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643453669 484206333 /nfs/dbraw/zinc/20/63/33/484206333.db2.gz QNMFKRZUAJEPAL-CYBMUJFWSA-N -1 0 350.327 -0.314 20 0 FBADRM CN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643453670 484206006 /nfs/dbraw/zinc/20/60/06/484206006.db2.gz QNMFKRZUAJEPAL-ZDUSSCGKSA-N -1 0 350.327 -0.314 20 0 FBADRM CN(CCOc1ccccc1F)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643454036 484213025 /nfs/dbraw/zinc/21/30/25/484213025.db2.gz FPASBSCXDBUZRG-CYBMUJFWSA-N -1 0 354.334 -0.025 20 0 FBADRM CN(CCOc1ccccc1F)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643454037 484212787 /nfs/dbraw/zinc/21/27/87/484212787.db2.gz FPASBSCXDBUZRG-ZDUSSCGKSA-N -1 0 354.334 -0.025 20 0 FBADRM CN(CCOc1ccc(F)cc1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643454089 484213457 /nfs/dbraw/zinc/21/34/57/484213457.db2.gz UHGXUYOFZPWWIQ-CYBMUJFWSA-N -1 0 354.334 -0.025 20 0 FBADRM CN(CCOc1ccc(F)cc1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643454090 484212340 /nfs/dbraw/zinc/21/23/40/484212340.db2.gz UHGXUYOFZPWWIQ-ZDUSSCGKSA-N -1 0 354.334 -0.025 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc(O)c3)CC2)CCO1 ZINC000643454127 484213421 /nfs/dbraw/zinc/21/34/21/484213421.db2.gz BDOKWJZRCPLLFS-AWEZNQCLSA-N -1 0 363.370 -0.647 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc(O)c3)CC2)CCO1 ZINC000643454128 484213386 /nfs/dbraw/zinc/21/33/86/484213386.db2.gz BDOKWJZRCPLLFS-CQSZACIVSA-N -1 0 363.370 -0.647 20 0 FBADRM Cc1cccc(N2CCN(C(=O)C(=O)N3CCO[C@H](C(=O)[O-])C3)CC2)c1 ZINC000643454141 484212779 /nfs/dbraw/zinc/21/27/79/484212779.db2.gz DWBSYDQAWZARSG-HNNXBMFYSA-N -1 0 361.398 -0.044 20 0 FBADRM Cc1cccc(N2CCN(C(=O)C(=O)N3CCO[C@@H](C(=O)[O-])C3)CC2)c1 ZINC000643454142 484213393 /nfs/dbraw/zinc/21/33/93/484213393.db2.gz DWBSYDQAWZARSG-OAHLLOKOSA-N -1 0 361.398 -0.044 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)N1CCN(C(=O)N2CCCCC2)CC1)C(=O)[O-] ZINC000643454387 484214438 /nfs/dbraw/zinc/21/44/38/484214438.db2.gz AOECDPGOOXSCJG-CYBMUJFWSA-N -1 0 368.434 -0.084 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCN(C(=O)N2CCCCC2)CC1)C(=O)[O-] ZINC000643454388 484214490 /nfs/dbraw/zinc/21/44/90/484214490.db2.gz AOECDPGOOXSCJG-ZDUSSCGKSA-N -1 0 368.434 -0.084 20 0 FBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)CC1 ZINC000643454393 484214585 /nfs/dbraw/zinc/21/45/85/484214585.db2.gz BLDGTZASULCUSN-UHFFFAOYSA-N -1 0 366.418 -0.330 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)N3CCCCC3)CC2)C1 ZINC000643454408 484214008 /nfs/dbraw/zinc/21/40/08/484214008.db2.gz IJHCKCNKZJHWJX-CYBMUJFWSA-N -1 0 366.418 -0.330 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)N3CCCCC3)CC2)C1 ZINC000643454409 484214615 /nfs/dbraw/zinc/21/46/15/484214615.db2.gz IJHCKCNKZJHWJX-ZDUSSCGKSA-N -1 0 366.418 -0.330 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)C1 ZINC000643454437 484214675 /nfs/dbraw/zinc/21/46/75/484214675.db2.gz SQUMLGBLAGFLCQ-GFCCVEGCSA-N -1 0 352.391 -0.721 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)C1 ZINC000643454438 484214317 /nfs/dbraw/zinc/21/43/17/484214317.db2.gz SQUMLGBLAGFLCQ-LBPRGKRZSA-N -1 0 352.391 -0.721 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)N1CCN(C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000643454456 484214141 /nfs/dbraw/zinc/21/41/41/484214141.db2.gz WVYMVYNWLAVOQE-GFCCVEGCSA-N -1 0 354.407 -0.475 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)N1CCN(C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000643454457 484214658 /nfs/dbraw/zinc/21/46/58/484214658.db2.gz WVYMVYNWLAVOQE-LBPRGKRZSA-N -1 0 354.407 -0.475 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000643454459 484214472 /nfs/dbraw/zinc/21/44/72/484214472.db2.gz XNZZSZDGOPCDAP-UHFFFAOYSA-N -1 0 354.407 -0.330 20 0 FBADRM CC(C)(C)C(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000643454651 484214062 /nfs/dbraw/zinc/21/40/62/484214062.db2.gz DMCVMWHWXPHLAM-LLVKDONJSA-N -1 0 355.391 -0.985 20 0 FBADRM CC(C)(C)C(=O)N1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000643454652 484214864 /nfs/dbraw/zinc/21/48/64/484214864.db2.gz DMCVMWHWXPHLAM-NSHDSACASA-N -1 0 355.391 -0.985 20 0 FBADRM CC(C)(C)CC(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000643454991 484220575 /nfs/dbraw/zinc/22/05/75/484220575.db2.gz MTSXKGGPAANODA-GFCCVEGCSA-N -1 0 369.418 -0.595 20 0 FBADRM CC(C)(C)CC(=O)N1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000643454992 484220778 /nfs/dbraw/zinc/22/07/78/484220778.db2.gz MTSXKGGPAANODA-LBPRGKRZSA-N -1 0 369.418 -0.595 20 0 FBADRM Cc1csc(N2CCN(C(=O)C(=O)N3CCO[C@@H](C(=O)[O-])C3)CC2)n1 ZINC000643455552 484228084 /nfs/dbraw/zinc/22/80/84/484228084.db2.gz SHKJMUTZWLVNFF-LLVKDONJSA-N -1 0 368.415 -0.588 20 0 FBADRM Cc1csc(N2CCN(C(=O)C(=O)N3CCO[C@H](C(=O)[O-])C3)CC2)n1 ZINC000643455553 484227613 /nfs/dbraw/zinc/22/76/13/484227613.db2.gz SHKJMUTZWLVNFF-NSHDSACASA-N -1 0 368.415 -0.588 20 0 FBADRM COc1cc(CN(C)C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc(OC)c1 ZINC000643456148 484322273 /nfs/dbraw/zinc/32/22/73/484322273.db2.gz KMWMTTNDCIUHNE-AWEZNQCLSA-N -1 0 366.370 -0.026 20 0 FBADRM COc1cc(CN(C)C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc(OC)c1 ZINC000643456149 484322097 /nfs/dbraw/zinc/32/20/97/484322097.db2.gz KMWMTTNDCIUHNE-CQSZACIVSA-N -1 0 366.370 -0.026 20 0 FBADRM COc1ccc2c(c1)CCN(C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)CC2 ZINC000643456162 484324055 /nfs/dbraw/zinc/32/40/55/484324055.db2.gz WSAXDANDUHLHMG-HNNXBMFYSA-N -1 0 362.382 -0.066 20 0 FBADRM COc1ccc2c(c1)CCN(C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)CC2 ZINC000643456163 484324228 /nfs/dbraw/zinc/32/42/28/484324228.db2.gz WSAXDANDUHLHMG-OAHLLOKOSA-N -1 0 362.382 -0.066 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)CCO1 ZINC000643456355 484342397 /nfs/dbraw/zinc/34/23/97/484342397.db2.gz ZFVVXNSVSPQBKV-NXEZZACHSA-N -1 0 368.308 -0.132 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](OCC(F)(F)F)C2)CCO1 ZINC000643456356 484342194 /nfs/dbraw/zinc/34/21/94/484342194.db2.gz ZFVVXNSVSPQBKV-UWVGGRQHSA-N -1 0 368.308 -0.132 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC[C@H](OCC(F)(F)F)C2)CCO1 ZINC000643456357 484341884 /nfs/dbraw/zinc/34/18/84/484341884.db2.gz ZFVVXNSVSPQBKV-VHSXEESVSA-N -1 0 368.308 -0.132 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)CCO1 ZINC000643456358 484341367 /nfs/dbraw/zinc/34/13/67/484341367.db2.gz ZFVVXNSVSPQBKV-ZJUUUORDSA-N -1 0 368.308 -0.132 20 0 FBADRM Cc1ccnc(N2CCN(C(=O)C(=O)N3CCO[C@@H](C(=O)[O-])C3)CC2)c1 ZINC000643456552 484379342 /nfs/dbraw/zinc/37/93/42/484379342.db2.gz FPWSSNSKYFRYRZ-CYBMUJFWSA-N -1 0 362.386 -0.649 20 0 FBADRM Cc1ccnc(N2CCN(C(=O)C(=O)N3CCO[C@H](C(=O)[O-])C3)CC2)c1 ZINC000643456553 484379722 /nfs/dbraw/zinc/37/97/22/484379722.db2.gz FPWSSNSKYFRYRZ-ZDUSSCGKSA-N -1 0 362.386 -0.649 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)CCO1 ZINC000643456775 484393079 /nfs/dbraw/zinc/39/30/79/484393079.db2.gz ZAJHPRSNWWVZAM-CHWSQXEVSA-N -1 0 367.402 -0.937 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)CCO1 ZINC000643456776 484392582 /nfs/dbraw/zinc/39/25/82/484392582.db2.gz ZAJHPRSNWWVZAM-OLZOCXBDSA-N -1 0 367.402 -0.937 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)CCO1 ZINC000643456777 484392986 /nfs/dbraw/zinc/39/29/86/484392986.db2.gz ZAJHPRSNWWVZAM-QWHCGFSZSA-N -1 0 367.402 -0.937 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)CCO1 ZINC000643456778 484393123 /nfs/dbraw/zinc/39/31/23/484393123.db2.gz ZAJHPRSNWWVZAM-STQMWFEESA-N -1 0 367.402 -0.937 20 0 FBADRM COc1c(C)cnc(CN(C)C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1C ZINC000643457893 484469786 /nfs/dbraw/zinc/46/97/86/484469786.db2.gz QLCFRBDFFGYYEY-CYBMUJFWSA-N -1 0 365.386 -0.023 20 0 FBADRM COc1c(C)cnc(CN(C)C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1C ZINC000643457894 484469317 /nfs/dbraw/zinc/46/93/17/484469317.db2.gz QLCFRBDFFGYYEY-ZDUSSCGKSA-N -1 0 365.386 -0.023 20 0 FBADRM CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000643457980 659903787 /nfs/dbraw/zinc/90/37/87/659903787.db2.gz SSPAOVGFIJIIMU-NEPJUHHUSA-N -1 0 355.391 -0.937 20 0 FBADRM CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000643457981 659903877 /nfs/dbraw/zinc/90/38/77/659903877.db2.gz SSPAOVGFIJIIMU-NWDGAFQWSA-N -1 0 355.391 -0.937 20 0 FBADRM CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000643457982 484469166 /nfs/dbraw/zinc/46/91/66/484469166.db2.gz SSPAOVGFIJIIMU-RYUDHWBXSA-N -1 0 355.391 -0.937 20 0 FBADRM CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000643457983 484469298 /nfs/dbraw/zinc/46/92/98/484469298.db2.gz SSPAOVGFIJIIMU-VXGBXAGGSA-N -1 0 355.391 -0.937 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N(CCCO)Cc2ccccc2)CCO1 ZINC000643458727 484468889 /nfs/dbraw/zinc/46/88/89/484468889.db2.gz VFXQYPYFDBRIAI-AWEZNQCLSA-N -1 0 350.371 -0.290 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N(CCCO)Cc2ccccc2)CCO1 ZINC000643458728 484468910 /nfs/dbraw/zinc/46/89/10/484468910.db2.gz VFXQYPYFDBRIAI-CQSZACIVSA-N -1 0 350.371 -0.290 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](c3cccc(O)c3)C2)CCO1 ZINC000643459838 484483641 /nfs/dbraw/zinc/48/36/41/484483641.db2.gz QILMWYYNHOIRLO-KBPBESRZSA-N -1 0 364.354 -0.396 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)CCO1 ZINC000643459839 484483015 /nfs/dbraw/zinc/48/30/15/484483015.db2.gz QILMWYYNHOIRLO-KGLIPLIRSA-N -1 0 364.354 -0.396 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCO[C@H](c3cccc(O)c3)C2)CCO1 ZINC000643459840 484483401 /nfs/dbraw/zinc/48/34/01/484483401.db2.gz QILMWYYNHOIRLO-UONOGXRCSA-N -1 0 364.354 -0.396 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)CCO1 ZINC000643459841 484483389 /nfs/dbraw/zinc/48/33/89/484483389.db2.gz QILMWYYNHOIRLO-ZIAGYGMSSA-N -1 0 364.354 -0.396 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](Cc3ccccc3)C2)CCO1 ZINC000643459874 484483781 /nfs/dbraw/zinc/48/37/81/484483781.db2.gz WNAVAJHMJBWJPM-CABCVRRESA-N -1 0 362.382 -0.232 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](Cc3ccccc3)C2)CCO1 ZINC000643459875 484483168 /nfs/dbraw/zinc/48/31/68/484483168.db2.gz WNAVAJHMJBWJPM-GJZGRUSLSA-N -1 0 362.382 -0.232 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCO[C@H](Cc3ccccc3)C2)CCO1 ZINC000643459876 484483690 /nfs/dbraw/zinc/48/36/90/484483690.db2.gz WNAVAJHMJBWJPM-HUUCEWRRSA-N -1 0 362.382 -0.232 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](Cc3ccccc3)C2)CCO1 ZINC000643459877 484483058 /nfs/dbraw/zinc/48/30/58/484483058.db2.gz WNAVAJHMJBWJPM-LSDHHAIUSA-N -1 0 362.382 -0.232 20 0 FBADRM Cc1ccc([C@@H]2COCCN2C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)o1 ZINC000643460015 484483383 /nfs/dbraw/zinc/48/33/83/484483383.db2.gz LOYRQZCPCLBNMA-AAEUAGOBSA-N -1 0 352.343 -0.200 20 0 FBADRM Cc1ccc([C@H]2COCCN2C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)o1 ZINC000643460016 484483757 /nfs/dbraw/zinc/48/37/57/484483757.db2.gz LOYRQZCPCLBNMA-DGCLKSJQSA-N -1 0 352.343 -0.200 20 0 FBADRM Cc1ccc([C@@H]2COCCN2C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)o1 ZINC000643460017 484483789 /nfs/dbraw/zinc/48/37/89/484483789.db2.gz LOYRQZCPCLBNMA-WCQYABFASA-N -1 0 352.343 -0.200 20 0 FBADRM Cc1ccc([C@H]2COCCN2C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)o1 ZINC000643460018 484483633 /nfs/dbraw/zinc/48/36/33/484483633.db2.gz LOYRQZCPCLBNMA-YPMHNXCESA-N -1 0 352.343 -0.200 20 0 FBADRM CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643460037 484483570 /nfs/dbraw/zinc/48/35/70/484483570.db2.gz NEBSLQLACHIOKM-LLVKDONJSA-N -1 0 352.391 -0.022 20 0 FBADRM CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643460038 484482995 /nfs/dbraw/zinc/48/29/95/484482995.db2.gz NEBSLQLACHIOKM-NSHDSACASA-N -1 0 352.391 -0.022 20 0 FBADRM CC(C)N1C(=O)CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1(C)C ZINC000643460487 484484674 /nfs/dbraw/zinc/48/46/74/484484674.db2.gz QECTUQHRDNQRSU-LLVKDONJSA-N -1 0 355.391 -0.844 20 0 FBADRM CC(C)N1C(=O)CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1(C)C ZINC000643460488 484484981 /nfs/dbraw/zinc/48/49/81/484484981.db2.gz QECTUQHRDNQRSU-NSHDSACASA-N -1 0 355.391 -0.844 20 0 FBADRM CC(C)CN1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)[C@H](C)C1=O ZINC000643460840 484484593 /nfs/dbraw/zinc/48/45/93/484484593.db2.gz NHFQQHAOYMMSJV-NEPJUHHUSA-N -1 0 355.391 -0.986 20 0 FBADRM CC(C)CN1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)[C@@H](C)C1=O ZINC000643460841 484484421 /nfs/dbraw/zinc/48/44/21/484484421.db2.gz NHFQQHAOYMMSJV-NWDGAFQWSA-N -1 0 355.391 -0.986 20 0 FBADRM CC(C)CN1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)[C@@H](C)C1=O ZINC000643460842 484484731 /nfs/dbraw/zinc/48/47/31/484484731.db2.gz NHFQQHAOYMMSJV-RYUDHWBXSA-N -1 0 355.391 -0.986 20 0 FBADRM CC(C)CN1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)[C@H](C)C1=O ZINC000643460843 484484534 /nfs/dbraw/zinc/48/45/34/484484534.db2.gz NHFQQHAOYMMSJV-VXGBXAGGSA-N -1 0 355.391 -0.986 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)[C@@H](CC)CN1C(C)=O ZINC000643461379 484491634 /nfs/dbraw/zinc/49/16/34/484491634.db2.gz CIIFSSDUMWKEET-HZSPNIEDSA-N -1 0 369.418 -0.454 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)[C@H](CC)CN1C(C)=O ZINC000643461380 484491311 /nfs/dbraw/zinc/49/13/11/484491311.db2.gz CIIFSSDUMWKEET-MCIONIFRSA-N -1 0 369.418 -0.454 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)[C@H](CC)CN1C(C)=O ZINC000643461381 484491573 /nfs/dbraw/zinc/49/15/73/484491573.db2.gz CIIFSSDUMWKEET-MGPQQGTHSA-N -1 0 369.418 -0.454 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)[C@@H](CC)CN1C(C)=O ZINC000643461382 484491678 /nfs/dbraw/zinc/49/16/78/484491678.db2.gz CIIFSSDUMWKEET-RDBSUJKOSA-N -1 0 369.418 -0.454 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3F)CC2)CCO1 ZINC000643461420 484499731 /nfs/dbraw/zinc/49/97/31/484499731.db2.gz IPYUVKUEEXQAEW-GFCCVEGCSA-N -1 0 366.349 -0.819 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3F)CC2)CCO1 ZINC000643461421 484500300 /nfs/dbraw/zinc/50/03/00/484500300.db2.gz IPYUVKUEEXQAEW-LBPRGKRZSA-N -1 0 366.349 -0.819 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)CCO1 ZINC000643461428 484500081 /nfs/dbraw/zinc/50/00/81/484500081.db2.gz JUYXUUKSAFJBFQ-GFCCVEGCSA-N -1 0 366.349 -0.819 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)CCO1 ZINC000643461429 484499825 /nfs/dbraw/zinc/49/98/25/484499825.db2.gz JUYXUUKSAFJBFQ-LBPRGKRZSA-N -1 0 366.349 -0.819 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCN(c3cccs3)CC2)CCO1 ZINC000643461457 484499497 /nfs/dbraw/zinc/49/94/97/484499497.db2.gz XSMCWGXBLOVYAN-LLVKDONJSA-N -1 0 353.400 -0.291 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccs3)CC2)CCO1 ZINC000643461458 484500047 /nfs/dbraw/zinc/50/00/47/484500047.db2.gz XSMCWGXBLOVYAN-NSHDSACASA-N -1 0 353.400 -0.291 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC(C3CCOCC3)CC2)CCO1 ZINC000643461473 484501899 /nfs/dbraw/zinc/50/18/99/484501899.db2.gz FUAUTBNXVOGACY-AWEZNQCLSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC(C3CCOCC3)CC2)CCO1 ZINC000643461474 484502239 /nfs/dbraw/zinc/50/22/39/484502239.db2.gz FUAUTBNXVOGACY-CQSZACIVSA-N -1 0 354.403 -0.036 20 0 FBADRM COCCN(Cc1ccc(C)o1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643461541 484507849 /nfs/dbraw/zinc/50/78/49/484507849.db2.gz RLHFYLKJSSNWFO-CYBMUJFWSA-N -1 0 354.359 -0.125 20 0 FBADRM COCCN(Cc1ccc(C)o1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643461542 484508001 /nfs/dbraw/zinc/50/80/01/484508001.db2.gz RLHFYLKJSSNWFO-ZDUSSCGKSA-N -1 0 354.359 -0.125 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](c3ccsc3)C2)CCO1 ZINC000643461909 484534687 /nfs/dbraw/zinc/53/46/87/484534687.db2.gz JXYIXVFAERWQAK-NEPJUHHUSA-N -1 0 354.384 -0.040 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCO[C@H](c3ccsc3)C2)CCO1 ZINC000643461910 484535571 /nfs/dbraw/zinc/53/55/71/484535571.db2.gz JXYIXVFAERWQAK-NWDGAFQWSA-N -1 0 354.384 -0.040 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](c3ccsc3)C2)CCO1 ZINC000643461911 484534603 /nfs/dbraw/zinc/53/46/03/484534603.db2.gz JXYIXVFAERWQAK-RYUDHWBXSA-N -1 0 354.384 -0.040 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](c3ccsc3)C2)CCO1 ZINC000643461912 484535662 /nfs/dbraw/zinc/53/56/62/484535662.db2.gz JXYIXVFAERWQAK-VXGBXAGGSA-N -1 0 354.384 -0.040 20 0 FBADRM Cc1ccncc1N1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000643462386 484539215 /nfs/dbraw/zinc/53/92/15/484539215.db2.gz XCTLMXIXYVBWNG-AWEZNQCLSA-N -1 0 362.386 -0.649 20 0 FBADRM Cc1ccncc1N1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000643462387 484538442 /nfs/dbraw/zinc/53/84/42/484538442.db2.gz XCTLMXIXYVBWNG-CQSZACIVSA-N -1 0 362.386 -0.649 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)CCO1 ZINC000643462861 484542040 /nfs/dbraw/zinc/54/20/40/484542040.db2.gz PMIKBYHYFYXOGD-CYBMUJFWSA-N -1 0 361.354 -0.826 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)CCO1 ZINC000643462862 484541487 /nfs/dbraw/zinc/54/14/87/484541487.db2.gz PMIKBYHYFYXOGD-ZDUSSCGKSA-N -1 0 361.354 -0.826 20 0 FBADRM CN(CCOCc1ccccc1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643463841 484550558 /nfs/dbraw/zinc/55/05/58/484550558.db2.gz WRPSXNQXRPKACX-AWEZNQCLSA-N -1 0 350.371 -0.026 20 0 FBADRM CN(CCOCc1ccccc1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643463844 484549924 /nfs/dbraw/zinc/54/99/24/484549924.db2.gz WRPSXNQXRPKACX-CQSZACIVSA-N -1 0 350.371 -0.026 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)C1 ZINC000643463925 484551090 /nfs/dbraw/zinc/55/10/90/484551090.db2.gz KISFQTFWRNOCGV-RFGFWPKPSA-N -1 0 354.403 -0.038 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)C1 ZINC000643463926 484552246 /nfs/dbraw/zinc/55/22/46/484552246.db2.gz KISFQTFWRNOCGV-RQJABVFESA-N -1 0 354.403 -0.038 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)C1 ZINC000643463927 484551220 /nfs/dbraw/zinc/55/12/20/484551220.db2.gz KISFQTFWRNOCGV-XJFOESAGSA-N -1 0 354.403 -0.038 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)C1 ZINC000643463928 484551314 /nfs/dbraw/zinc/55/13/14/484551314.db2.gz KISFQTFWRNOCGV-ZOBORPQBSA-N -1 0 354.403 -0.038 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1=O ZINC000643463955 484551064 /nfs/dbraw/zinc/55/10/64/484551064.db2.gz OUWWRJSKFHOFGS-CYBMUJFWSA-N -1 0 369.418 -0.593 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC1=O ZINC000643463956 484551510 /nfs/dbraw/zinc/55/15/10/484551510.db2.gz OUWWRJSKFHOFGS-ZDUSSCGKSA-N -1 0 369.418 -0.593 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CC(=O)N(Cc3ccccc3)C2)CCO1 ZINC000643464385 484574815 /nfs/dbraw/zinc/57/48/15/484574815.db2.gz CRKGUWGYSQIMNQ-CYBMUJFWSA-N -1 0 361.354 -0.873 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CC(=O)N(Cc3ccccc3)C2)CCO1 ZINC000643464386 484574454 /nfs/dbraw/zinc/57/44/54/484574454.db2.gz CRKGUWGYSQIMNQ-ZDUSSCGKSA-N -1 0 361.354 -0.873 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCOc3cccc(F)c3C2)CCO1 ZINC000643465410 484582631 /nfs/dbraw/zinc/58/26/31/484582631.db2.gz UZGLZFJDKXFMQX-CYBMUJFWSA-N -1 0 352.318 -0.141 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCOc3cccc(F)c3C2)CCO1 ZINC000643465411 484582775 /nfs/dbraw/zinc/58/27/75/484582775.db2.gz UZGLZFJDKXFMQX-ZDUSSCGKSA-N -1 0 352.318 -0.141 20 0 FBADRM Cn1nccc1[C@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643465897 484588034 /nfs/dbraw/zinc/58/80/34/484588034.db2.gz SZCYQNWKRCUZLL-CHWSQXEVSA-N -1 0 350.375 -0.214 20 0 FBADRM Cn1nccc1[C@H]1CCCCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643465898 484588062 /nfs/dbraw/zinc/58/80/62/484588062.db2.gz SZCYQNWKRCUZLL-OLZOCXBDSA-N -1 0 350.375 -0.214 20 0 FBADRM Cn1nccc1[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643465899 484587671 /nfs/dbraw/zinc/58/76/71/484587671.db2.gz SZCYQNWKRCUZLL-QWHCGFSZSA-N -1 0 350.375 -0.214 20 0 FBADRM Cn1nccc1[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643465900 484587840 /nfs/dbraw/zinc/58/78/40/484587840.db2.gz SZCYQNWKRCUZLL-STQMWFEESA-N -1 0 350.375 -0.214 20 0 FBADRM CN(C[C@@H](O)Cc1ccccc1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643467190 484588982 /nfs/dbraw/zinc/58/89/82/484588982.db2.gz JQVMQJFYOPNMLX-KBPBESRZSA-N -1 0 350.371 -0.640 20 0 FBADRM CN(C[C@H](O)Cc1ccccc1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000643467191 484588636 /nfs/dbraw/zinc/58/86/36/484588636.db2.gz JQVMQJFYOPNMLX-KGLIPLIRSA-N -1 0 350.371 -0.640 20 0 FBADRM CN(C[C@@H](O)Cc1ccccc1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643467192 484588509 /nfs/dbraw/zinc/58/85/09/484588509.db2.gz JQVMQJFYOPNMLX-UONOGXRCSA-N -1 0 350.371 -0.640 20 0 FBADRM CN(C[C@H](O)Cc1ccccc1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000643467193 484588661 /nfs/dbraw/zinc/58/86/61/484588661.db2.gz JQVMQJFYOPNMLX-ZIAGYGMSSA-N -1 0 350.371 -0.640 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC3(C2)Oc2ccccc2O3)CCO1 ZINC000643467215 484589443 /nfs/dbraw/zinc/58/94/43/484589443.db2.gz MODFBOCLUDQNTF-CYBMUJFWSA-N -1 0 362.338 -0.302 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC3(C2)Oc2ccccc2O3)CCO1 ZINC000643467216 484588710 /nfs/dbraw/zinc/58/87/10/484588710.db2.gz MODFBOCLUDQNTF-ZDUSSCGKSA-N -1 0 362.338 -0.302 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1 ZINC000643467656 484590091 /nfs/dbraw/zinc/59/00/91/484590091.db2.gz NEASRODKAFKPRY-GFCCVEGCSA-N -1 0 372.443 -0.121 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1 ZINC000643467657 484589842 /nfs/dbraw/zinc/58/98/42/484589842.db2.gz NEASRODKAFKPRY-LBPRGKRZSA-N -1 0 372.443 -0.121 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000643467689 484590153 /nfs/dbraw/zinc/59/01/53/484590153.db2.gz RNBMMZCVISLCDO-UHFFFAOYSA-N -1 0 360.432 -0.121 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(-n2cnnc2)cc1 ZINC000643846424 484043685 /nfs/dbraw/zinc/04/36/85/484043685.db2.gz FMRVZSJJJVXQAU-CYBMUJFWSA-N -1 0 364.383 -0.480 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(-n2cnnc2)cc1 ZINC000643846425 484043160 /nfs/dbraw/zinc/04/31/60/484043160.db2.gz FMRVZSJJJVXQAU-ZDUSSCGKSA-N -1 0 364.383 -0.480 20 0 FBADRM CC(=O)Nc1cccc(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC000643846458 484043652 /nfs/dbraw/zinc/04/36/52/484043652.db2.gz NYKUPCXIHHGGPH-CYBMUJFWSA-N -1 0 354.384 -0.102 20 0 FBADRM CC(=O)Nc1cccc(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC000643846459 484043604 /nfs/dbraw/zinc/04/36/04/484043604.db2.gz NYKUPCXIHHGGPH-ZDUSSCGKSA-N -1 0 354.384 -0.102 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000643848926 484042776 /nfs/dbraw/zinc/04/27/76/484042776.db2.gz PDHXGTGVCYGMNI-AWEZNQCLSA-N -1 0 359.404 -0.029 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000643848927 484043844 /nfs/dbraw/zinc/04/38/44/484043844.db2.gz PDHXGTGVCYGMNI-CQSZACIVSA-N -1 0 359.404 -0.029 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000643852424 484043270 /nfs/dbraw/zinc/04/32/70/484043270.db2.gz CAOCOGCOJXGULG-HNNXBMFYSA-N -1 0 371.415 -0.206 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000643852425 484043142 /nfs/dbraw/zinc/04/31/42/484043142.db2.gz CAOCOGCOJXGULG-OAHLLOKOSA-N -1 0 371.415 -0.206 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)CNS(=O)(=O)CCOC(C)C ZINC000643852954 484042807 /nfs/dbraw/zinc/04/28/07/484042807.db2.gz PDFPSNUBIHCUBL-AWEZNQCLSA-N -1 0 366.436 -0.577 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)CNS(=O)(=O)CCOC(C)C ZINC000643852955 484043621 /nfs/dbraw/zinc/04/36/21/484043621.db2.gz PDFPSNUBIHCUBL-CQSZACIVSA-N -1 0 366.436 -0.577 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000643853620 484042789 /nfs/dbraw/zinc/04/27/89/484042789.db2.gz FAQYDRBLIBGHLX-HNNXBMFYSA-N -1 0 373.431 -0.019 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000643853621 484043795 /nfs/dbraw/zinc/04/37/95/484043795.db2.gz FAQYDRBLIBGHLX-OAHLLOKOSA-N -1 0 373.431 -0.019 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@@]1(COC)C(=O)[O-] ZINC000643854214 484042797 /nfs/dbraw/zinc/04/27/97/484042797.db2.gz WGRNIXXXGHHIJF-CYBMUJFWSA-N -1 0 352.409 -0.966 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@]1(COC)C(=O)[O-] ZINC000643854215 484043316 /nfs/dbraw/zinc/04/33/16/484043316.db2.gz WGRNIXXXGHHIJF-ZDUSSCGKSA-N -1 0 352.409 -0.966 20 0 FBADRM O=C([O-])[C@H]1Cn2cnnc2CN1C(=O)CNC(=O)c1ccc(F)cc1F ZINC000643858654 484044875 /nfs/dbraw/zinc/04/48/75/484044875.db2.gz JNOVNYRPSLHFMM-LLVKDONJSA-N -1 0 365.296 -0.218 20 0 FBADRM O=C([O-])[C@@H]1Cn2cnnc2CN1C(=O)CNC(=O)c1ccc(F)cc1F ZINC000643858655 484044455 /nfs/dbraw/zinc/04/44/55/484044455.db2.gz JNOVNYRPSLHFMM-NSHDSACASA-N -1 0 365.296 -0.218 20 0 FBADRM Cn1c(C(=O)NCCC(C)(C)C(=O)[O-])cc2c1n(C)c(=O)n(C)c2=O ZINC000643863939 484058623 /nfs/dbraw/zinc/05/86/23/484058623.db2.gz KUOOQXUZSNUEML-UHFFFAOYSA-N -1 0 350.375 -0.194 20 0 FBADRM COc1cccc(COCC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000643869332 484074729 /nfs/dbraw/zinc/07/47/29/484074729.db2.gz ILNJYNGAQFCBIK-CYBMUJFWSA-N -1 0 357.384 -0.078 20 0 FBADRM COc1cccc(COCC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000643869333 484074892 /nfs/dbraw/zinc/07/48/92/484074892.db2.gz ILNJYNGAQFCBIK-ZDUSSCGKSA-N -1 0 357.384 -0.078 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000643880348 484075956 /nfs/dbraw/zinc/07/59/56/484075956.db2.gz NLEXGXHNOXFTSI-HNNXBMFYSA-N -1 0 371.415 -0.162 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000643880349 484075794 /nfs/dbraw/zinc/07/57/94/484075794.db2.gz NLEXGXHNOXFTSI-OAHLLOKOSA-N -1 0 371.415 -0.162 20 0 FBADRM O=C([O-])[C@H]1Cn2cnnc2CN1CCNS(=O)(=O)c1ccccc1 ZINC000643880623 484075987 /nfs/dbraw/zinc/07/59/87/484075987.db2.gz TWOWOOMTYKLWNP-GFCCVEGCSA-N -1 0 351.388 -0.475 20 0 FBADRM O=C([O-])[C@@H]1Cn2cnnc2CN1CCNS(=O)(=O)c1ccccc1 ZINC000643880624 484075728 /nfs/dbraw/zinc/07/57/28/484075728.db2.gz TWOWOOMTYKLWNP-LBPRGKRZSA-N -1 0 351.388 -0.475 20 0 FBADRM COC[C@]1(C(N)=O)CCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000643941898 484179662 /nfs/dbraw/zinc/17/96/62/484179662.db2.gz QUQHPTPOPMMGGK-INIZCTEOSA-N -1 0 361.358 -0.149 20 0 FBADRM COC[C@@]1(C(N)=O)CCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000643941899 484180029 /nfs/dbraw/zinc/18/00/29/484180029.db2.gz QUQHPTPOPMMGGK-MRXNPFEDSA-N -1 0 361.358 -0.149 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1CCS(=O)(=O)CC1 ZINC000643971279 484183929 /nfs/dbraw/zinc/18/39/29/484183929.db2.gz HMTGEEDTDSVZMG-CYBMUJFWSA-N -1 0 369.461 -0.293 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1CCS(=O)(=O)CC1 ZINC000643971280 484184960 /nfs/dbraw/zinc/18/49/60/484184960.db2.gz HMTGEEDTDSVZMG-ZDUSSCGKSA-N -1 0 369.461 -0.293 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000643971382 484184793 /nfs/dbraw/zinc/18/47/93/484184793.db2.gz NJOGRCPSBWPXAD-GFCCVEGCSA-N -1 0 372.465 -0.837 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000643971383 484184588 /nfs/dbraw/zinc/18/45/88/484184588.db2.gz NJOGRCPSBWPXAD-LBPRGKRZSA-N -1 0 372.465 -0.837 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000643971406 484184711 /nfs/dbraw/zinc/18/47/11/484184711.db2.gz OXFLKTSQQAMUCS-AAEUAGOBSA-N -1 0 369.461 -0.293 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000643971407 484185439 /nfs/dbraw/zinc/18/54/39/484185439.db2.gz OXFLKTSQQAMUCS-DGCLKSJQSA-N -1 0 369.461 -0.293 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000643971408 484186082 /nfs/dbraw/zinc/18/60/82/484186082.db2.gz OXFLKTSQQAMUCS-WCQYABFASA-N -1 0 369.461 -0.293 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000643971409 484185643 /nfs/dbraw/zinc/18/56/43/484185643.db2.gz OXFLKTSQQAMUCS-YPMHNXCESA-N -1 0 369.461 -0.293 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)N1Cc2nncn2C[C@@H]1C(=O)[O-] ZINC000643971968 484186134 /nfs/dbraw/zinc/18/61/34/484186134.db2.gz HININMXQVGVDQV-LLVKDONJSA-N -1 0 368.419 -0.206 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)N1Cc2nncn2C[C@H]1C(=O)[O-] ZINC000643971969 484185772 /nfs/dbraw/zinc/18/57/72/484185772.db2.gz HININMXQVGVDQV-NSHDSACASA-N -1 0 368.419 -0.206 20 0 FBADRM O=C([O-])[C@H]1Cn2cnnc2CN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000643972006 484186185 /nfs/dbraw/zinc/18/61/85/484186185.db2.gz ICPZVMMIKGJXDQ-LLVKDONJSA-N -1 0 350.356 -0.129 20 0 FBADRM O=C([O-])[C@@H]1Cn2cnnc2CN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000643972007 484186247 /nfs/dbraw/zinc/18/62/47/484186247.db2.gz ICPZVMMIKGJXDQ-NSHDSACASA-N -1 0 350.356 -0.129 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000643972203 484186295 /nfs/dbraw/zinc/18/62/95/484186295.db2.gz LTEWSBPULRWGSD-AWEZNQCLSA-N -1 0 367.387 -0.083 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000643972207 484185659 /nfs/dbraw/zinc/18/56/59/484185659.db2.gz LTEWSBPULRWGSD-CQSZACIVSA-N -1 0 367.387 -0.083 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)N2Cc3nncn3C[C@H]2C(=O)[O-])c1 ZINC000643972263 484186336 /nfs/dbraw/zinc/18/63/36/484186336.db2.gz MSHWCEUIFUXMHM-JTQLQIEISA-N -1 0 354.392 -0.212 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)N2Cc3nncn3C[C@@H]2C(=O)[O-])c1 ZINC000643972264 484185562 /nfs/dbraw/zinc/18/55/62/484185562.db2.gz MSHWCEUIFUXMHM-SNVBAGLBSA-N -1 0 354.392 -0.212 20 0 FBADRM O=C([O-])[C@H]1Cn2cnnc2CN1S(=O)(=O)c1cccc2c1OCCO2 ZINC000643972453 484186267 /nfs/dbraw/zinc/18/62/67/484186267.db2.gz QZCRJZMGHKKMSA-SECBINFHSA-N -1 0 366.355 -0.293 20 0 FBADRM O=C([O-])[C@@H]1Cn2cnnc2CN1S(=O)(=O)c1cccc2c1OCCO2 ZINC000643972454 484186382 /nfs/dbraw/zinc/18/63/82/484186382.db2.gz QZCRJZMGHKKMSA-VIFPVBQESA-N -1 0 366.355 -0.293 20 0 FBADRM O=C([O-])[C@@H]1Cn2cnnc2CN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000643972459 484186048 /nfs/dbraw/zinc/18/60/48/484186048.db2.gz REPKLPWUTNSFMS-JTQLQIEISA-N -1 0 366.355 -0.293 20 0 FBADRM O=C([O-])[C@H]1Cn2cnnc2CN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000643972460 484185850 /nfs/dbraw/zinc/18/58/50/484185850.db2.gz REPKLPWUTNSFMS-SNVBAGLBSA-N -1 0 366.355 -0.293 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N2Cc3nncn3C[C@@H]2C(=O)[O-])cc1 ZINC000643972537 484185608 /nfs/dbraw/zinc/18/56/08/484185608.db2.gz TZVCSXBVRYFMFX-GFCCVEGCSA-N -1 0 365.371 -0.106 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N2Cc3nncn3C[C@H]2C(=O)[O-])cc1 ZINC000643972538 484186095 /nfs/dbraw/zinc/18/60/95/484186095.db2.gz TZVCSXBVRYFMFX-LBPRGKRZSA-N -1 0 365.371 -0.106 20 0 FBADRM CC(C)c1nc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c[nH]1 ZINC000643972897 484186065 /nfs/dbraw/zinc/18/60/65/484186065.db2.gz SCNWXJBFKRWUBR-SSDOTTSWSA-N -1 0 356.364 -0.512 20 0 FBADRM CC(C)c1nc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c[nH]1 ZINC000643972898 484185599 /nfs/dbraw/zinc/18/55/99/484185599.db2.gz SCNWXJBFKRWUBR-ZETCQYMHSA-N -1 0 356.364 -0.512 20 0 FBADRM CCn1nc(C)c(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1C ZINC000644175956 484276949 /nfs/dbraw/zinc/27/69/49/484276949.db2.gz JOTUPXVTIPURBD-GFCCVEGCSA-N -1 0 358.420 -0.087 20 0 FBADRM CCn1nc(C)c(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1C ZINC000644175957 484276921 /nfs/dbraw/zinc/27/69/21/484276921.db2.gz JOTUPXVTIPURBD-LBPRGKRZSA-N -1 0 358.420 -0.087 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000644178243 484283892 /nfs/dbraw/zinc/28/38/92/484283892.db2.gz LJMMYKMPRMYUCS-UHFFFAOYSA-N -1 0 350.441 -0.379 20 0 FBADRM CC(C)C[C@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)C(=O)[O-] ZINC000644179256 484287831 /nfs/dbraw/zinc/28/78/31/484287831.db2.gz QTDSLOHGZPGNLV-GFCCVEGCSA-N -1 0 364.468 -0.133 20 0 FBADRM CC(C)C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)C(=O)[O-] ZINC000644179257 484287349 /nfs/dbraw/zinc/28/73/49/484287349.db2.gz QTDSLOHGZPGNLV-LBPRGKRZSA-N -1 0 364.468 -0.133 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)NCCCN(C)S(C)(=O)=O)C(=O)[O-] ZINC000644200961 484421018 /nfs/dbraw/zinc/42/10/18/484421018.db2.gz BLCRKZWNUNVXLI-UHFFFAOYSA-N -1 0 365.452 -0.609 20 0 FBADRM CN(CCCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])S(C)(=O)=O ZINC000644200971 484420702 /nfs/dbraw/zinc/42/07/02/484420702.db2.gz PTIZQODWCSCHDJ-UHFFFAOYSA-N -1 0 351.425 -0.999 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCCCN(C)S(C)(=O)=O)C(=O)[O-] ZINC000644200972 484421663 /nfs/dbraw/zinc/42/16/63/484421663.db2.gz PUYCPSRYWKUFPC-LLVKDONJSA-N -1 0 365.452 -0.753 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCCCN(C)S(C)(=O)=O)C(=O)[O-] ZINC000644200973 484421532 /nfs/dbraw/zinc/42/15/32/484421532.db2.gz PUYCPSRYWKUFPC-NSHDSACASA-N -1 0 365.452 -0.753 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC000644201184 484420807 /nfs/dbraw/zinc/42/08/07/484420807.db2.gz BXTPFTBGQSSTOZ-JTQLQIEISA-N -1 0 350.437 -0.211 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC000644201185 484420731 /nfs/dbraw/zinc/42/07/31/484420731.db2.gz BXTPFTBGQSSTOZ-SNVBAGLBSA-N -1 0 350.437 -0.211 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)NCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC000644201218 484421154 /nfs/dbraw/zinc/42/11/54/484421154.db2.gz RGRVRGYIXWPOMK-UHFFFAOYSA-N -1 0 350.437 -0.067 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000644201700 484420995 /nfs/dbraw/zinc/42/09/95/484420995.db2.gz GCOPCMKCDDDSFJ-UHFFFAOYSA-N -1 0 365.452 -0.562 20 0 FBADRM CC(C)(CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])NS(C)(=O)=O ZINC000644201711 484421163 /nfs/dbraw/zinc/42/11/63/484421163.db2.gz LDSAQINBXVHGFU-UHFFFAOYSA-N -1 0 351.425 -0.953 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000644201727 484421324 /nfs/dbraw/zinc/42/13/24/484421324.db2.gz VNNZCWLJCZMWSE-JTQLQIEISA-N -1 0 365.452 -0.707 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000644201728 484421757 /nfs/dbraw/zinc/42/17/57/484421757.db2.gz VNNZCWLJCZMWSE-SNVBAGLBSA-N -1 0 365.452 -0.707 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC(C2CC2)C2CC2)CCS1(=O)=O ZINC000644202009 484420694 /nfs/dbraw/zinc/42/06/94/484420694.db2.gz DKOXUADNZQVPFP-GFCCVEGCSA-N -1 0 358.416 -0.751 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC(C2CC2)C2CC2)CCS1(=O)=O ZINC000644202010 484421106 /nfs/dbraw/zinc/42/11/06/484421106.db2.gz DKOXUADNZQVPFP-LBPRGKRZSA-N -1 0 358.416 -0.751 20 0 FBADRM COCCNC(=O)C1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000644202705 484420756 /nfs/dbraw/zinc/42/07/56/484420756.db2.gz YJOXJWUYNCEJLW-UHFFFAOYSA-N -1 0 371.434 -0.395 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N1CCN(C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000644202985 484421591 /nfs/dbraw/zinc/42/15/91/484421591.db2.gz KGUYNOZGWNHYNQ-UHFFFAOYSA-N -1 0 368.434 -0.037 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCC(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000644203186 484421415 /nfs/dbraw/zinc/42/14/15/484421415.db2.gz CYIQKKUGMUCNTL-LLVKDONJSA-N -1 0 362.448 -0.115 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCC(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000644203187 484421632 /nfs/dbraw/zinc/42/16/32/484421632.db2.gz CYIQKKUGMUCNTL-NSHDSACASA-N -1 0 362.448 -0.115 20 0 FBADRM COCC(=O)NC1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000644203256 484421801 /nfs/dbraw/zinc/42/18/01/484421801.db2.gz XNULAQFDIMXBDH-GFCCVEGCSA-N -1 0 371.434 -0.397 20 0 FBADRM COCC(=O)NC1CCN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC1 ZINC000644203257 484421170 /nfs/dbraw/zinc/42/11/70/484421170.db2.gz XNULAQFDIMXBDH-LBPRGKRZSA-N -1 0 371.434 -0.397 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000644203260 484421365 /nfs/dbraw/zinc/42/13/65/484421365.db2.gz XRHWIGFFWOHFDQ-CYBMUJFWSA-N -1 0 355.435 -0.073 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000644203261 484421762 /nfs/dbraw/zinc/42/17/62/484421762.db2.gz XRHWIGFFWOHFDQ-ZDUSSCGKSA-N -1 0 355.435 -0.073 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCC(NC(=O)COC)CC1)C(=O)[O-] ZINC000644203873 484421181 /nfs/dbraw/zinc/42/11/81/484421181.db2.gz FHNFCFNTBDTHCB-UHFFFAOYSA-N -1 0 371.434 -0.253 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C2CCC2)CCS1(=O)=O ZINC000644207194 484422393 /nfs/dbraw/zinc/42/23/93/484422393.db2.gz DPOXODXQIIFJCQ-NEPJUHHUSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C2CCC2)CCS1(=O)=O ZINC000644207207 484422502 /nfs/dbraw/zinc/42/25/02/484422502.db2.gz DPOXODXQIIFJCQ-NWDGAFQWSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C2CCC2)CCS1(=O)=O ZINC000644207209 484422896 /nfs/dbraw/zinc/42/28/96/484422896.db2.gz DPOXODXQIIFJCQ-RYUDHWBXSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C2CCC2)CCS1(=O)=O ZINC000644207211 484422718 /nfs/dbraw/zinc/42/27/18/484422718.db2.gz DPOXODXQIIFJCQ-VXGBXAGGSA-N -1 0 358.416 -0.512 20 0 FBADRM CCC(CC)N(C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C1CC1 ZINC000644209383 484422349 /nfs/dbraw/zinc/42/23/49/484422349.db2.gz SQLRLTIYJMTFOZ-GFCCVEGCSA-N -1 0 360.432 -0.124 20 0 FBADRM CCC(CC)N(C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C1CC1 ZINC000644209390 484422916 /nfs/dbraw/zinc/42/29/16/484422916.db2.gz SQLRLTIYJMTFOZ-LBPRGKRZSA-N -1 0 360.432 -0.124 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC3(C2)CCCCC3)CCS1(=O)=O ZINC000644219387 484422079 /nfs/dbraw/zinc/42/20/79/484422079.db2.gz NJPGJFHJBDKPDB-GFCCVEGCSA-N -1 0 372.443 -0.121 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC3(C2)CCCCC3)CCS1(=O)=O ZINC000644219393 484423028 /nfs/dbraw/zinc/42/30/28/484423028.db2.gz NJPGJFHJBDKPDB-LBPRGKRZSA-N -1 0 372.443 -0.121 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC12CCC2 ZINC000644222894 484422508 /nfs/dbraw/zinc/42/25/08/484422508.db2.gz MRLROCBPLRFJPS-NEPJUHHUSA-N -1 0 372.443 -0.265 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC12CCC2 ZINC000644222896 484422527 /nfs/dbraw/zinc/42/25/27/484422527.db2.gz MRLROCBPLRFJPS-NWDGAFQWSA-N -1 0 372.443 -0.265 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC12CCC2 ZINC000644222898 484422574 /nfs/dbraw/zinc/42/25/74/484422574.db2.gz MRLROCBPLRFJPS-RYUDHWBXSA-N -1 0 372.443 -0.265 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC12CCC2 ZINC000644222899 484422069 /nfs/dbraw/zinc/42/20/69/484422069.db2.gz MRLROCBPLRFJPS-VXGBXAGGSA-N -1 0 372.443 -0.265 20 0 FBADRM O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000644408384 484453774 /nfs/dbraw/zinc/45/37/74/484453774.db2.gz MGLCCRCXMOQOHY-VIFPVBQESA-N -1 0 365.371 -0.524 20 0 FBADRM O=C([O-])c1ccc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)nc1 ZINC000644572829 483423212 /nfs/dbraw/zinc/42/32/12/483423212.db2.gz VIJHBZMZTIUDKE-UHFFFAOYSA-N -1 0 356.404 -0.521 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000644573422 483424031 /nfs/dbraw/zinc/42/40/31/483424031.db2.gz IURKQUQQYBAXGC-JTQLQIEISA-N -1 0 354.450 -0.558 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000644573423 483423752 /nfs/dbraw/zinc/42/37/52/483423752.db2.gz IURKQUQQYBAXGC-SNVBAGLBSA-N -1 0 354.450 -0.558 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)C3CC3)CC2)o1 ZINC000644574144 483424156 /nfs/dbraw/zinc/42/41/56/483424156.db2.gz DAURVSWDGNXQFG-UHFFFAOYSA-N -1 0 364.401 -0.224 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC000644578650 483423300 /nfs/dbraw/zinc/42/33/00/483423300.db2.gz VTKZGKNFTJZNOM-BXUZGUMPSA-N -1 0 359.404 -0.044 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC000644578651 483423811 /nfs/dbraw/zinc/42/38/11/483423811.db2.gz VTKZGKNFTJZNOM-FZMZJTMJSA-N -1 0 359.404 -0.044 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC000644578652 483423736 /nfs/dbraw/zinc/42/37/36/483423736.db2.gz VTKZGKNFTJZNOM-RISCZKNCSA-N -1 0 359.404 -0.044 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC000644578653 483424264 /nfs/dbraw/zinc/42/42/64/483424264.db2.gz VTKZGKNFTJZNOM-SMDDNHRTSA-N -1 0 359.404 -0.044 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NC2COCCOC2)cc2c1OCCO2 ZINC000644614425 483424830 /nfs/dbraw/zinc/42/48/30/483424830.db2.gz OQYXMBKQXQQHRH-UHFFFAOYSA-N -1 0 359.356 -0.150 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)NC2COCCOC2)cc1 ZINC000644614437 483425517 /nfs/dbraw/zinc/42/55/17/483425517.db2.gz QLVYVHQLYMGGEA-UHFFFAOYSA-N -1 0 358.372 -0.805 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)cc1C(N)=O ZINC000645126695 484184066 /nfs/dbraw/zinc/18/40/66/484184066.db2.gz JYNMRAOSNDOWNJ-UHFFFAOYSA-N -1 0 354.392 -0.484 20 0 FBADRM Cn1cnc(CCCNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)n1 ZINC000645804554 484108989 /nfs/dbraw/zinc/10/89/89/484108989.db2.gz KFPWPVSKCFJFHQ-UHFFFAOYSA-N -1 0 365.375 -0.524 20 0 FBADRM CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000645943998 484541457 /nfs/dbraw/zinc/54/14/57/484541457.db2.gz CFHPERBIELXJHL-GFCCVEGCSA-N -1 0 368.477 -0.073 20 0 FBADRM CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000645943999 484540842 /nfs/dbraw/zinc/54/08/42/484540842.db2.gz CFHPERBIELXJHL-LBPRGKRZSA-N -1 0 368.477 -0.073 20 0 FBADRM Cc1cccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c1C(=O)[O-] ZINC000645946438 484545517 /nfs/dbraw/zinc/54/55/17/484545517.db2.gz PWJBRCVIZMPWBH-UHFFFAOYSA-N -1 0 362.429 -0.041 20 0 FBADRM CNS(=O)(=O)c1ccc(CNS(=O)(=O)N(C)CCC(=O)[O-])s1 ZINC000645946857 484546354 /nfs/dbraw/zinc/54/63/54/484546354.db2.gz QYFFITQBOVHVLH-UHFFFAOYSA-N -1 0 371.462 -0.603 20 0 FBADRM CS(=O)(=O)N1CCC(NS(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000645947274 484552280 /nfs/dbraw/zinc/55/22/80/484552280.db2.gz MSZCKKOQMYMMPD-UHFFFAOYSA-N -1 0 352.390 -0.320 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000645947319 484551986 /nfs/dbraw/zinc/55/19/86/484551986.db2.gz YZHKFVXIHGGNJZ-UHFFFAOYSA-N -1 0 362.452 -0.139 20 0 FBADRM CS(=O)(=O)N1CCCN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000645947648 484565468 /nfs/dbraw/zinc/56/54/68/484565468.db2.gz KAZVOOKFXVEESX-UHFFFAOYSA-N -1 0 352.390 -0.366 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1ccc(NS(C)(=O)=O)cc1 ZINC000645948929 484567682 /nfs/dbraw/zinc/56/76/82/484567682.db2.gz IIJGXCWGQUPBEP-UHFFFAOYSA-N -1 0 365.433 -0.201 20 0 FBADRM COc1ccnc(N2CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC2)n1 ZINC000645948942 484567808 /nfs/dbraw/zinc/56/78/08/484567808.db2.gz LACIMPNHIYYPLR-UHFFFAOYSA-N -1 0 359.408 -0.742 20 0 FBADRM CNS(=O)(=O)c1cccc(CNS(=O)(=O)N(C)CCC(=O)[O-])c1 ZINC000645950310 484568245 /nfs/dbraw/zinc/56/82/45/484568245.db2.gz BTGAMPWBKJFHOX-UHFFFAOYSA-N -1 0 365.433 -0.664 20 0 FBADRM COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000645951422 484569212 /nfs/dbraw/zinc/56/92/12/484569212.db2.gz DKSXETWEOPOYNG-MRVPVSSYSA-N -1 0 367.376 -0.002 20 0 FBADRM COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000645951423 484569235 /nfs/dbraw/zinc/56/92/35/484569235.db2.gz DKSXETWEOPOYNG-QMMMGPOBSA-N -1 0 367.376 -0.002 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCS(=O)(=O)c1ccccc1 ZINC000645952172 484572626 /nfs/dbraw/zinc/57/26/26/484572626.db2.gz SLOJRZXOPYECFL-UHFFFAOYSA-N -1 0 350.418 -0.299 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCCCN(C)S(C)(=O)=O ZINC000645952301 484572516 /nfs/dbraw/zinc/57/25/16/484572516.db2.gz ALPKDQNJTUMQRD-UHFFFAOYSA-N -1 0 354.406 -0.154 20 0 FBADRM Cc1oc(S(=O)(=O)NCCCN(C)S(C)(=O)=O)cc1C(=O)[O-] ZINC000645952303 484571510 /nfs/dbraw/zinc/57/15/10/484571510.db2.gz BGCCATMZZJSIKE-UHFFFAOYSA-N -1 0 354.406 -0.154 20 0 FBADRM CN(CCCNS(=O)(=O)c1scnc1C(=O)[O-])S(C)(=O)=O ZINC000645952312 484571712 /nfs/dbraw/zinc/57/17/12/484571712.db2.gz DDOHEFJQUPSMHT-UHFFFAOYSA-N -1 0 357.435 -0.599 20 0 FBADRM CN(CCCNS(=O)(=O)c1ccccc1C(=O)[O-])S(C)(=O)=O ZINC000645952336 484572455 /nfs/dbraw/zinc/57/24/55/484572455.db2.gz IWRUVCGCIRLKIF-UHFFFAOYSA-N -1 0 350.418 -0.055 20 0 FBADRM CN(CCCNS(=O)(=O)c1ccc(C(=O)[O-])nc1)S(C)(=O)=O ZINC000645952353 484571663 /nfs/dbraw/zinc/57/16/63/484571663.db2.gz KUBSNMPIEHLNER-UHFFFAOYSA-N -1 0 351.406 -0.660 20 0 FBADRM CN(CCCNS(=O)(=O)c1cncc(C(=O)[O-])c1)S(C)(=O)=O ZINC000645952363 484572527 /nfs/dbraw/zinc/57/25/27/484572527.db2.gz NCMPPRZPUVFQFE-UHFFFAOYSA-N -1 0 351.406 -0.660 20 0 FBADRM CN(CCCNS(=O)(=O)c1csnc1C(=O)[O-])S(C)(=O)=O ZINC000645952364 484572446 /nfs/dbraw/zinc/57/24/46/484572446.db2.gz NECLUQNPCIKKLC-UHFFFAOYSA-N -1 0 357.435 -0.599 20 0 FBADRM CN(CCCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1)S(C)(=O)=O ZINC000645952372 484572165 /nfs/dbraw/zinc/57/21/65/484572165.db2.gz PVTUSSDELIJLFR-UHFFFAOYSA-N -1 0 364.445 -0.127 20 0 FBADRM CN(CCCNS(=O)(=O)c1cccnc1C(=O)[O-])S(C)(=O)=O ZINC000645952385 484572511 /nfs/dbraw/zinc/57/25/11/484572511.db2.gz SCXITNJNAGKNJS-UHFFFAOYSA-N -1 0 351.406 -0.660 20 0 FBADRM Cc1ncc(S(=O)(=O)NCCCN(C)S(C)(=O)=O)cc1C(=O)[O-] ZINC000645952403 484572458 /nfs/dbraw/zinc/57/24/58/484572458.db2.gz XDJVRZMHEPMDBF-UHFFFAOYSA-N -1 0 365.433 -0.352 20 0 FBADRM CN(CCCNS(=O)(=O)c1cccc(CC(=O)[O-])c1)S(C)(=O)=O ZINC000645952418 484572183 /nfs/dbraw/zinc/57/21/83/484572183.db2.gz YTCBYINZPACWRO-UHFFFAOYSA-N -1 0 364.445 -0.127 20 0 FBADRM CCS(=O)(=O)N(C)CCCNS(=O)(=O)c1csnc1C(=O)[O-] ZINC000645952421 484572236 /nfs/dbraw/zinc/57/22/36/484572236.db2.gz ZUDGIKYLIASQST-UHFFFAOYSA-N -1 0 371.462 -0.209 20 0 FBADRM CCCS(=O)(=O)NC1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000645953003 484574783 /nfs/dbraw/zinc/57/47/83/484574783.db2.gz VKKPTNMHXNETFG-UHFFFAOYSA-N -1 0 371.481 -0.569 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1ccc(CS(C)(=O)=O)cc1 ZINC000645954066 484576395 /nfs/dbraw/zinc/57/63/95/484576395.db2.gz GTIFBEBLXKNWAY-UHFFFAOYSA-N -1 0 364.445 -0.028 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000645954334 484577465 /nfs/dbraw/zinc/57/74/65/484577465.db2.gz GQPOPWIHHBSWSD-UHFFFAOYSA-N -1 0 361.424 -0.988 20 0 FBADRM CCN(CCCNS(=O)(=O)c1csnc1C(=O)[O-])S(C)(=O)=O ZINC000645955702 484581305 /nfs/dbraw/zinc/58/13/05/484581305.db2.gz NRPKHLWEBLVMNI-UHFFFAOYSA-N -1 0 371.462 -0.209 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1cccc(CS(C)(=O)=O)c1 ZINC000645959338 484587511 /nfs/dbraw/zinc/58/75/11/484587511.db2.gz OULIVBQDOBLOBM-UHFFFAOYSA-N -1 0 364.445 -0.028 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000645959919 484588242 /nfs/dbraw/zinc/58/82/42/484588242.db2.gz SPKIDHZAUWLIMA-UHFFFAOYSA-N -1 0 365.433 -0.794 20 0 FBADRM CS(=O)(=O)N1CCC(CNS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1 ZINC000645960408 484588529 /nfs/dbraw/zinc/58/85/29/484588529.db2.gz PXKBWXRVRLHMOA-LLVKDONJSA-N -1 0 369.465 -0.959 20 0 FBADRM CS(=O)(=O)N1CCC(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC000645960409 484588234 /nfs/dbraw/zinc/58/82/34/484588234.db2.gz PXKBWXRVRLHMOA-NSHDSACASA-N -1 0 369.465 -0.959 20 0 FBADRM Cc1oc(S(=O)(=O)NCCN2CCCS2(=O)=O)cc1C(=O)[O-] ZINC000645960576 484588596 /nfs/dbraw/zinc/58/85/96/484588596.db2.gz SIKFONIIKPWUCK-UHFFFAOYSA-N -1 0 352.390 -0.400 20 0 FBADRM CCS(=O)(=O)N(C)C1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000645966223 484600078 /nfs/dbraw/zinc/60/00/78/484600078.db2.gz LYUSYHPUPCOHSP-UHFFFAOYSA-N -1 0 371.481 -0.616 20 0 FBADRM CCN(C1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1)S(C)(=O)=O ZINC000645966243 484600470 /nfs/dbraw/zinc/60/04/70/484600470.db2.gz SEKJZFBJOCTXDD-UHFFFAOYSA-N -1 0 371.481 -0.616 20 0 FBADRM O=C([O-])c1ncsc1S(=O)(=O)NCC1CCS(=O)(=O)CC1 ZINC000645967842 484602498 /nfs/dbraw/zinc/60/24/98/484602498.db2.gz MILYQCZEPHXGFV-UHFFFAOYSA-N -1 0 354.431 -0.056 20 0 FBADRM O=C([O-])c1nscc1S(=O)(=O)NCC1CCS(=O)(=O)CC1 ZINC000645967869 484602453 /nfs/dbraw/zinc/60/24/53/484602453.db2.gz WMCRWOPFMUQAAQ-UHFFFAOYSA-N -1 0 354.431 -0.056 20 0 FBADRM Cc1ncc(S(=O)(=O)NCC(C)(C)NS(C)(=O)=O)cc1C(=O)[O-] ZINC000645967917 484602280 /nfs/dbraw/zinc/60/22/80/484602280.db2.gz AGRCRIRQORYVEF-UHFFFAOYSA-N -1 0 365.433 -0.306 20 0 FBADRM CC(C)(CNS(=O)(=O)c1ccccc1C(=O)[O-])NS(C)(=O)=O ZINC000645967918 484602744 /nfs/dbraw/zinc/60/27/44/484602744.db2.gz AHFJNLAUKZNISR-UHFFFAOYSA-N -1 0 350.418 -0.009 20 0 FBADRM CC(C)(CNS(=O)(=O)c1ccc(C(=O)[O-])nc1)NS(C)(=O)=O ZINC000645967919 484602225 /nfs/dbraw/zinc/60/22/25/484602225.db2.gz AJGOCGNOCKQXMA-UHFFFAOYSA-N -1 0 351.406 -0.614 20 0 FBADRM CC(C)(CNS(=O)(=O)c1cccnc1C(=O)[O-])NS(C)(=O)=O ZINC000645967934 484602760 /nfs/dbraw/zinc/60/27/60/484602760.db2.gz BVTVGPCUMVFZJY-UHFFFAOYSA-N -1 0 351.406 -0.614 20 0 FBADRM CC(C)(CNS(=O)(=O)c1cccc(CC(=O)[O-])c1)NS(C)(=O)=O ZINC000645967958 484602149 /nfs/dbraw/zinc/60/21/49/484602149.db2.gz IPLSKYVDEHDNGA-UHFFFAOYSA-N -1 0 364.445 -0.080 20 0 FBADRM CC(C)(CNS(=O)(=O)c1cncc(C(=O)[O-])c1)NS(C)(=O)=O ZINC000645967968 484602248 /nfs/dbraw/zinc/60/22/48/484602248.db2.gz KBIHWBIBHKQUBB-UHFFFAOYSA-N -1 0 351.406 -0.614 20 0 FBADRM CC(C)(CNS(=O)(=O)c1csnc1C(=O)[O-])NS(C)(=O)=O ZINC000645967983 484602672 /nfs/dbraw/zinc/60/26/72/484602672.db2.gz MTJSMANAQCHXIC-UHFFFAOYSA-N -1 0 357.435 -0.553 20 0 FBADRM Cc1oc(S(=O)(=O)NCC(C)(C)NS(C)(=O)=O)cc1C(=O)[O-] ZINC000645968018 484602041 /nfs/dbraw/zinc/60/20/41/484602041.db2.gz UGRBDDOTBLGNQU-UHFFFAOYSA-N -1 0 354.406 -0.108 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000645982618 484629834 /nfs/dbraw/zinc/62/98/34/484629834.db2.gz RPUJIFPPQPIVDY-GHMZBOCLSA-N -1 0 356.466 -0.075 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000645982619 484629483 /nfs/dbraw/zinc/62/94/83/484629483.db2.gz RPUJIFPPQPIVDY-MNOVXSKESA-N -1 0 356.466 -0.075 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000645982620 484629895 /nfs/dbraw/zinc/62/98/95/484629895.db2.gz RPUJIFPPQPIVDY-QWRGUYRKSA-N -1 0 356.466 -0.075 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N(C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000645982621 484629891 /nfs/dbraw/zinc/62/98/91/484629891.db2.gz RPUJIFPPQPIVDY-WDEREUQCSA-N -1 0 356.466 -0.075 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000645985029 484632607 /nfs/dbraw/zinc/63/26/07/484632607.db2.gz DHBQIKZFIHJCMI-UHFFFAOYSA-N -1 0 356.447 -0.108 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000645988789 484635288 /nfs/dbraw/zinc/63/52/88/484635288.db2.gz QASQNQFCVNWTIH-UHFFFAOYSA-N -1 0 369.465 -0.816 20 0 FBADRM CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC000645991574 484640384 /nfs/dbraw/zinc/64/03/84/484640384.db2.gz IFJIGRSANGYKPD-JTQLQIEISA-N -1 0 363.417 -0.518 20 0 FBADRM CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC000645991575 484640622 /nfs/dbraw/zinc/64/06/22/484640622.db2.gz IFJIGRSANGYKPD-SNVBAGLBSA-N -1 0 363.417 -0.518 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1ccccc1CS(C)(=O)=O ZINC000645991597 484640329 /nfs/dbraw/zinc/64/03/29/484640329.db2.gz NVRJXDYPMOZGSR-UHFFFAOYSA-N -1 0 364.445 -0.028 20 0 FBADRM Cn1cc([C@]2(C)CN(S(=O)(=O)c3cnn(CC(=O)[O-])c3)CCO2)cn1 ZINC000645992558 484640740 /nfs/dbraw/zinc/64/07/40/484640740.db2.gz VZCYQHVCBHQLCQ-AWEZNQCLSA-N -1 0 369.403 -0.363 20 0 FBADRM Cn1cc([C@@]2(C)CN(S(=O)(=O)c3cnn(CC(=O)[O-])c3)CCO2)cn1 ZINC000645992559 484640730 /nfs/dbraw/zinc/64/07/30/484640730.db2.gz VZCYQHVCBHQLCQ-CQSZACIVSA-N -1 0 369.403 -0.363 20 0 FBADRM Cc1oc(S(=O)(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1C(=O)[O-] ZINC000645993481 484643552 /nfs/dbraw/zinc/64/35/52/484643552.db2.gz AVXMBPAYXNYSCM-SECBINFHSA-N -1 0 366.417 -0.011 20 0 FBADRM CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)c2cccnc2C(=O)[O-])C1 ZINC000645993508 484643918 /nfs/dbraw/zinc/64/39/18/484643918.db2.gz GSFMXHWZHOCFPJ-SECBINFHSA-N -1 0 363.417 -0.660 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)c2cccnc2C(=O)[O-])C1 ZINC000645993509 484643529 /nfs/dbraw/zinc/64/35/29/484643529.db2.gz GSFMXHWZHOCFPJ-VIFPVBQESA-N -1 0 363.417 -0.660 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000645993539 484643394 /nfs/dbraw/zinc/64/33/94/484643394.db2.gz LNBVKTOYKCYDQJ-SECBINFHSA-N -1 0 366.417 -0.011 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)c1scnc1C(=O)[O-] ZINC000645993565 484643695 /nfs/dbraw/zinc/64/36/95/484643695.db2.gz PDVNQZIFXPZSJC-SSDOTTSWSA-N -1 0 369.446 -0.456 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)CCN1S(C)(=O)=O ZINC000645995286 484649597 /nfs/dbraw/zinc/64/95/97/484649597.db2.gz OTSKHQYCHBQYGH-QMMMGPOBSA-N -1 0 352.390 -0.368 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000646002802 484658935 /nfs/dbraw/zinc/65/89/35/484658935.db2.gz FKLHAGYIVBEUAW-LLVKDONJSA-N -1 0 368.477 -0.216 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000646002803 484659183 /nfs/dbraw/zinc/65/91/83/484659183.db2.gz FKLHAGYIVBEUAW-NSHDSACASA-N -1 0 368.477 -0.216 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N(CCC(=O)[O-])C2CC2)CC1 ZINC000646005350 484661877 /nfs/dbraw/zinc/66/18/77/484661877.db2.gz VIUBFOFJGMHVGL-UHFFFAOYSA-N -1 0 368.477 -0.073 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N(CCC(=O)[O-])CC1CC1 ZINC000646005723 484665486 /nfs/dbraw/zinc/66/54/86/484665486.db2.gz TYWHVTGMNWGEEY-UHFFFAOYSA-N -1 0 356.466 -0.216 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N(CC(=O)[O-])CC2CC2)CC1 ZINC000646006150 484665857 /nfs/dbraw/zinc/66/58/57/484665857.db2.gz ZJMUSJUJACIPFL-UHFFFAOYSA-N -1 0 368.477 -0.216 20 0 FBADRM O=C([O-])CN(C1CCOCC1)S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000646015084 484677908 /nfs/dbraw/zinc/67/79/08/484677908.db2.gz CGFHUYZLCQTGSM-UHFFFAOYSA-N -1 0 367.387 -0.083 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])C2CCOCC2)cn1C ZINC000646015087 484678408 /nfs/dbraw/zinc/67/84/08/484678408.db2.gz CVEVKRXHXNRPKN-UHFFFAOYSA-N -1 0 359.404 -0.361 20 0 FBADRM Cn1cc(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)cc1C(N)=O ZINC000646016206 484685450 /nfs/dbraw/zinc/68/54/50/484685450.db2.gz UJKHYVUNMFFSQI-UHFFFAOYSA-N -1 0 359.404 -0.232 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)NC2(CC(=O)[O-])CCC2)CC1 ZINC000646018372 484695131 /nfs/dbraw/zinc/69/51/31/484695131.db2.gz DIKHNMSAEYOLHK-UHFFFAOYSA-N -1 0 368.477 -0.025 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)NC1CCC(C(=O)[O-])CC1 ZINC000646020187 484705755 /nfs/dbraw/zinc/70/57/55/484705755.db2.gz NJEKPECVINSBRA-UHFFFAOYSA-N -1 0 356.466 -0.169 20 0 FBADRM NC(=O)[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000646024448 484714263 /nfs/dbraw/zinc/71/42/63/484714263.db2.gz RORIFCHGTSRKLE-JTQLQIEISA-N -1 0 370.412 -0.480 20 0 FBADRM NC(=O)[C@H](O)CNC(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000646024449 484714029 /nfs/dbraw/zinc/71/40/29/484714029.db2.gz RORIFCHGTSRKLE-SNVBAGLBSA-N -1 0 370.412 -0.480 20 0 FBADRM O=C([O-])C[C@@H]1CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CCO1 ZINC000646025713 484717818 /nfs/dbraw/zinc/71/78/18/484717818.db2.gz WNHKWPADLPAULX-LLVKDONJSA-N -1 0 353.360 -0.474 20 0 FBADRM O=C([O-])C[C@H]1CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CCO1 ZINC000646025714 484717905 /nfs/dbraw/zinc/71/79/05/484717905.db2.gz WNHKWPADLPAULX-NSHDSACASA-N -1 0 353.360 -0.474 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)NC2(C(=O)[O-])CCC2)CC1 ZINC000646027103 484721779 /nfs/dbraw/zinc/72/17/79/484721779.db2.gz DRXGNBJLOFFWBY-UHFFFAOYSA-N -1 0 354.450 -0.415 20 0 FBADRM COC[C@@](C)(NS(=O)(=O)c1cccc(-c2nnnn2C)c1)C(=O)[O-] ZINC000646029341 484728857 /nfs/dbraw/zinc/72/88/57/484728857.db2.gz WOHNKQNPLQZUQC-CYBMUJFWSA-N -1 0 355.376 -0.355 20 0 FBADRM COC[C@](C)(NS(=O)(=O)c1cccc(-c2nnnn2C)c1)C(=O)[O-] ZINC000646029344 484728685 /nfs/dbraw/zinc/72/86/85/484728685.db2.gz WOHNKQNPLQZUQC-ZDUSSCGKSA-N -1 0 355.376 -0.355 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000646029768 484730028 /nfs/dbraw/zinc/73/00/28/484730028.db2.gz IGFDDRHUGYARDZ-GFCCVEGCSA-N -1 0 366.417 -0.508 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000646029769 484730418 /nfs/dbraw/zinc/73/04/18/484730418.db2.gz IGFDDRHUGYARDZ-LBPRGKRZSA-N -1 0 366.417 -0.508 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-] ZINC000646031330 484732966 /nfs/dbraw/zinc/73/29/66/484732966.db2.gz JNMRKHBPMSBHSJ-JTQLQIEISA-N -1 0 374.481 -0.497 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-] ZINC000646031331 484732401 /nfs/dbraw/zinc/73/24/01/484732401.db2.gz JNMRKHBPMSBHSJ-SNVBAGLBSA-N -1 0 374.481 -0.497 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)NCc1ccc(C(=O)[O-])o1 ZINC000646032252 484733904 /nfs/dbraw/zinc/73/39/04/484733904.db2.gz PQKZCKHIJOERBK-UHFFFAOYSA-N -1 0 354.406 -0.321 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000646032812 484737061 /nfs/dbraw/zinc/73/70/61/484737061.db2.gz CTLUQDAYFSCVFV-UHFFFAOYSA-N -1 0 356.466 -0.216 20 0 FBADRM C[C@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)CC(=O)[O-] ZINC000646034782 484742209 /nfs/dbraw/zinc/74/22/09/484742209.db2.gz IAJIFMZGZNROMT-JTQLQIEISA-N -1 0 356.466 -0.312 20 0 FBADRM C[C@@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)CC(=O)[O-] ZINC000646034783 484741445 /nfs/dbraw/zinc/74/14/45/484741445.db2.gz IAJIFMZGZNROMT-SNVBAGLBSA-N -1 0 356.466 -0.312 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000646035816 484742524 /nfs/dbraw/zinc/74/25/24/484742524.db2.gz VFNMDNBLGWDISJ-LLVKDONJSA-N -1 0 356.466 -0.073 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000646035817 484742905 /nfs/dbraw/zinc/74/29/05/484742905.db2.gz VFNMDNBLGWDISJ-NSHDSACASA-N -1 0 356.466 -0.073 20 0 FBADRM CC(C)(CCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1)S(C)(=O)=O ZINC000646040040 484756747 /nfs/dbraw/zinc/75/67/47/484756747.db2.gz LHGGSLMUYWXEJE-GHMZBOCLSA-N -1 0 371.477 -0.001 20 0 FBADRM CC(C)(CCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1)S(C)(=O)=O ZINC000646040042 484756941 /nfs/dbraw/zinc/75/69/41/484756941.db2.gz LHGGSLMUYWXEJE-MNOVXSKESA-N -1 0 371.477 -0.001 20 0 FBADRM CC(C)(CCS(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1)S(C)(=O)=O ZINC000646040044 484758884 /nfs/dbraw/zinc/75/88/84/484758884.db2.gz LHGGSLMUYWXEJE-QWRGUYRKSA-N -1 0 371.477 -0.001 20 0 FBADRM CC(C)(CCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1)S(C)(=O)=O ZINC000646040045 484757994 /nfs/dbraw/zinc/75/79/94/484757994.db2.gz LHGGSLMUYWXEJE-WDEREUQCSA-N -1 0 371.477 -0.001 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000646040761 484758010 /nfs/dbraw/zinc/75/80/10/484758010.db2.gz IZCLALNHMHMFNZ-NEPJUHHUSA-N -1 0 368.477 -0.169 20 0 FBADRM Cn1cc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c(C(F)(F)F)n1 ZINC000646041749 484759695 /nfs/dbraw/zinc/75/96/95/484759695.db2.gz OAAWJBTUCATYHP-UHFFFAOYSA-N -1 0 368.297 -0.407 20 0 FBADRM CC(C)(CCS(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-])S(C)(=O)=O ZINC000646042353 484761534 /nfs/dbraw/zinc/76/15/34/484761534.db2.gz JJAXGJDIIVXKHD-JTQLQIEISA-N -1 0 357.450 -0.295 20 0 FBADRM CC(C)(CCS(=O)(=O)N1CCOC[C@H]1CC(=O)[O-])S(C)(=O)=O ZINC000646042354 484761664 /nfs/dbraw/zinc/76/16/64/484761664.db2.gz JJAXGJDIIVXKHD-SNVBAGLBSA-N -1 0 357.450 -0.295 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC[C@H]1C(=O)[O-] ZINC000646043716 484762811 /nfs/dbraw/zinc/76/28/11/484762811.db2.gz SEOYVSAFUHLLJX-GHMZBOCLSA-N -1 0 356.466 -0.360 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC[C@@H]1C(=O)[O-] ZINC000646043717 484762717 /nfs/dbraw/zinc/76/27/17/484762717.db2.gz SEOYVSAFUHLLJX-MNOVXSKESA-N -1 0 356.466 -0.360 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC[C@@H]1C(=O)[O-] ZINC000646043718 484762410 /nfs/dbraw/zinc/76/24/10/484762410.db2.gz SEOYVSAFUHLLJX-QWRGUYRKSA-N -1 0 356.466 -0.360 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC[C@H]1C(=O)[O-] ZINC000646043719 484762662 /nfs/dbraw/zinc/76/26/62/484762662.db2.gz SEOYVSAFUHLLJX-WDEREUQCSA-N -1 0 356.466 -0.360 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)NC2(CC(=O)[O-])CCCC2)CC1 ZINC000646044497 484765581 /nfs/dbraw/zinc/76/55/81/484765581.db2.gz XTQRZZUSMKOWLM-UHFFFAOYSA-N -1 0 369.465 -0.815 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1 ZINC000646045023 484769524 /nfs/dbraw/zinc/76/95/24/484769524.db2.gz BSXQIDQLNFOPFW-NEPJUHHUSA-N -1 0 368.477 -0.169 20 0 FBADRM CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](CF)C(=O)[O-] ZINC000646045983 484772537 /nfs/dbraw/zinc/77/25/37/484772537.db2.gz XJRWGCNJPVHVBL-MRVPVSSYSA-N -1 0 354.381 -0.314 20 0 FBADRM CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](CF)C(=O)[O-] ZINC000646045984 484771978 /nfs/dbraw/zinc/77/19/78/484771978.db2.gz XJRWGCNJPVHVBL-QMMMGPOBSA-N -1 0 354.381 -0.314 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CF)C(=O)[O-])cc1 ZINC000646046124 484772289 /nfs/dbraw/zinc/77/22/89/484772289.db2.gz SSGGNYWZJNZGDL-JTQLQIEISA-N -1 0 354.381 -0.362 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CF)C(=O)[O-])cc1 ZINC000646046125 484772001 /nfs/dbraw/zinc/77/20/01/484772001.db2.gz SSGGNYWZJNZGDL-SNVBAGLBSA-N -1 0 354.381 -0.362 20 0 FBADRM COc1ccc([C@@H](NS(=O)(=O)c2cnnn2C)C(=O)[O-])c(OC)c1 ZINC000646048142 484776864 /nfs/dbraw/zinc/77/68/64/484776864.db2.gz NDUSNJDOMAWZPZ-GFCCVEGCSA-N -1 0 356.360 -0.064 20 0 FBADRM COc1ccc([C@H](NS(=O)(=O)c2cnnn2C)C(=O)[O-])c(OC)c1 ZINC000646048143 484776136 /nfs/dbraw/zinc/77/61/36/484776136.db2.gz NDUSNJDOMAWZPZ-LBPRGKRZSA-N -1 0 356.360 -0.064 20 0 FBADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000646049021 484777412 /nfs/dbraw/zinc/77/74/12/484777412.db2.gz OXMDEPOWNGULGT-GHMZBOCLSA-N -1 0 372.465 -0.838 20 0 FBADRM CO[C@H]1C[C@H](CC(=O)[O-])N(S(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000646049022 484777775 /nfs/dbraw/zinc/77/77/75/484777775.db2.gz OXMDEPOWNGULGT-MNOVXSKESA-N -1 0 372.465 -0.838 20 0 FBADRM CO[C@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000646049023 484778198 /nfs/dbraw/zinc/77/81/98/484778198.db2.gz OXMDEPOWNGULGT-QWRGUYRKSA-N -1 0 372.465 -0.838 20 0 FBADRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(S(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000646049024 484777533 /nfs/dbraw/zinc/77/75/33/484777533.db2.gz OXMDEPOWNGULGT-WDEREUQCSA-N -1 0 372.465 -0.838 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC000646053590 484787442 /nfs/dbraw/zinc/78/74/42/484787442.db2.gz TTXNTWWOMVLRRF-PHIMTYICSA-N -1 0 354.450 -0.559 20 0 FBADRM CNS(=O)(=O)Nc1ccc(NC(=O)c2cnc([O-])n(C)c2=O)cc1 ZINC000646058885 484794918 /nfs/dbraw/zinc/79/49/18/484794918.db2.gz KVBFXWOCTMIHHO-UHFFFAOYSA-N -1 0 353.360 -0.386 20 0 FBADRM CN(CCN1CCCS1(=O)=O)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000646059326 484800315 /nfs/dbraw/zinc/80/03/15/484800315.db2.gz BYMDEIYNWSDSNA-UHFFFAOYSA-N -1 0 351.406 -0.631 20 0 FBADRM CN(CCN1CCCS1(=O)=O)S(=O)(=O)c1csnc1C(=O)[O-] ZINC000646059370 484800217 /nfs/dbraw/zinc/80/02/17/484800217.db2.gz DLBVHKCVPMQSLL-UHFFFAOYSA-N -1 0 369.446 -0.503 20 0 FBADRM CN(CCN1CCCS1(=O)=O)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000646059406 484800244 /nfs/dbraw/zinc/80/02/44/484800244.db2.gz FVIAVVLAOSSIBG-UHFFFAOYSA-N -1 0 352.390 -0.366 20 0 FBADRM Cc1oc(S(=O)(=O)N(C)CCN2CCCS2(=O)=O)cc1C(=O)[O-] ZINC000646059447 484799403 /nfs/dbraw/zinc/79/94/03/484799403.db2.gz HOEXMDGJXYYGHE-UHFFFAOYSA-N -1 0 366.417 -0.058 20 0 FBADRM CN(CCN1CCCS1(=O)=O)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000646059451 484800284 /nfs/dbraw/zinc/80/02/84/484800284.db2.gz HUAQIDLVMMGABJ-UHFFFAOYSA-N -1 0 369.446 -0.503 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)CCN1CCCS1(=O)=O ZINC000646059517 484800345 /nfs/dbraw/zinc/80/03/45/484800345.db2.gz LZDPEHVZNULJKP-UHFFFAOYSA-N -1 0 366.417 -0.058 20 0 FBADRM CN(CCN1CCCS1(=O)=O)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000646059518 484800313 /nfs/dbraw/zinc/80/03/13/484800313.db2.gz MAAJJUAJZAZETP-UHFFFAOYSA-N -1 0 352.390 -0.366 20 0 FBADRM CN(CCN1CCCS1(=O)=O)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC000646059557 484799956 /nfs/dbraw/zinc/79/99/56/484799956.db2.gz PQJKRBXGIJRWIE-UHFFFAOYSA-N -1 0 363.417 -0.564 20 0 FBADRM CN(CCN1CCCS1(=O)=O)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000646059623 484800317 /nfs/dbraw/zinc/80/03/17/484800317.db2.gz VPSMJMHFSVZCPV-UHFFFAOYSA-N -1 0 363.417 -0.564 20 0 FBADRM CN(CCN1CCCS1(=O)=O)S(=O)(=O)CCCCCC(=O)[O-] ZINC000646059635 484799647 /nfs/dbraw/zinc/79/96/47/484799647.db2.gz WTUHRPDEQKGSDB-UHFFFAOYSA-N -1 0 356.466 -0.072 20 0 FBADRM CN(CCN1CCCS1(=O)=O)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC000646059679 484800683 /nfs/dbraw/zinc/80/06/83/484800683.db2.gz ZOBPJUOQBYIJCK-UHFFFAOYSA-N -1 0 363.417 -0.564 20 0 FBADRM CC[C@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000646060118 484802055 /nfs/dbraw/zinc/80/20/55/484802055.db2.gz CNFMIOHZCNGBSY-LLVKDONJSA-N -1 0 356.466 -0.312 20 0 FBADRM CC[C@@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000646060119 484802853 /nfs/dbraw/zinc/80/28/53/484802853.db2.gz CNFMIOHZCNGBSY-NSHDSACASA-N -1 0 356.466 -0.312 20 0 FBADRM CC[C@H](CNS(=O)(=O)c1ccccc1S(=O)(=O)NC)C(=O)[O-] ZINC000646060574 484802593 /nfs/dbraw/zinc/80/25/93/484802593.db2.gz XOEHFGCHIDMUMF-SECBINFHSA-N -1 0 350.418 -0.016 20 0 FBADRM CC[C@@H](CNS(=O)(=O)c1ccccc1S(=O)(=O)NC)C(=O)[O-] ZINC000646060575 484802570 /nfs/dbraw/zinc/80/25/70/484802570.db2.gz XOEHFGCHIDMUMF-VIFPVBQESA-N -1 0 350.418 -0.016 20 0 FBADRM O=C([O-])C1(CNC(=O)NCCNC(=O)c2cccnc2)CCOCC1 ZINC000646142733 484951532 /nfs/dbraw/zinc/95/15/32/484951532.db2.gz AORRWHMNXRZWNY-UHFFFAOYSA-N -1 0 350.375 -0.008 20 0 FBADRM CN(CCCNC(=O)NCC1(C(=O)[O-])CCOCC1)S(C)(=O)=O ZINC000646143549 484951707 /nfs/dbraw/zinc/95/17/07/484951707.db2.gz DJJBWEMRLHAJOF-UHFFFAOYSA-N -1 0 351.425 -0.552 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646143648 484952946 /nfs/dbraw/zinc/95/29/46/484952946.db2.gz MYHDHCIEZZUKHJ-UHFFFAOYSA-N -1 0 365.452 -0.161 20 0 FBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646143737 484953099 /nfs/dbraw/zinc/95/30/99/484953099.db2.gz VJTTUEHYSKVSPY-UHFFFAOYSA-N -1 0 365.452 -0.115 20 0 FBADRM CCN(CCCNC(=O)NCC1(C(=O)[O-])CCOCC1)S(C)(=O)=O ZINC000646144493 484952776 /nfs/dbraw/zinc/95/27/76/484952776.db2.gz XKZRRLBVTQAFHC-UHFFFAOYSA-N -1 0 365.452 -0.161 20 0 FBADRM O=C([O-])CCCNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000646145935 484954456 /nfs/dbraw/zinc/95/44/56/484954456.db2.gz GXFGTCVAWIDXSE-UHFFFAOYSA-N -1 0 364.406 -0.321 20 0 FBADRM O=C([O-])C1(CNC(=O)NCCCN2CCCS2(=O)=O)CCOCC1 ZINC000646146245 484954170 /nfs/dbraw/zinc/95/41/70/484954170.db2.gz QXHZWXMQSVRZFG-UHFFFAOYSA-N -1 0 363.436 -0.407 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000646147809 484958729 /nfs/dbraw/zinc/95/87/29/484958729.db2.gz RSJWCVATNQFSSW-MNOVXSKESA-N -1 0 365.477 -0.083 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)NCC3(C(=O)[O-])CCOCC3)C2=O)cn1 ZINC000646149737 484960767 /nfs/dbraw/zinc/96/07/67/484960767.db2.gz HKWIEKUOQXRCLZ-GFCCVEGCSA-N -1 0 365.390 -0.294 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)NCC3(C(=O)[O-])CCOCC3)C2=O)cn1 ZINC000646149738 484960775 /nfs/dbraw/zinc/96/07/75/484960775.db2.gz HKWIEKUOQXRCLZ-LBPRGKRZSA-N -1 0 365.390 -0.294 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000646149876 484960456 /nfs/dbraw/zinc/96/04/56/484960456.db2.gz PEFBDBFIPWKXQD-QWHCGFSZSA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1 ZINC000646149979 484960864 /nfs/dbraw/zinc/96/08/64/484960864.db2.gz YYWDZZFGLSQUKX-UHFFFAOYSA-N -1 0 368.434 -0.037 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646150405 484961115 /nfs/dbraw/zinc/96/11/15/484961115.db2.gz WZJXEWYUZOCCES-UHFFFAOYSA-N -1 0 351.425 -0.505 20 0 FBADRM CC[C@@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)C(=O)N1CCOCC1 ZINC000646151587 484962507 /nfs/dbraw/zinc/96/25/07/484962507.db2.gz COMLBMAQIGHUNM-GFCCVEGCSA-N -1 0 357.407 -0.196 20 0 FBADRM CC[C@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)C(=O)N1CCOCC1 ZINC000646151588 484962198 /nfs/dbraw/zinc/96/21/98/484962198.db2.gz COMLBMAQIGHUNM-LBPRGKRZSA-N -1 0 357.407 -0.196 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000646152128 484963675 /nfs/dbraw/zinc/96/36/75/484963675.db2.gz KZNOHWYVORSJRZ-ZJUUUORDSA-N -1 0 360.392 -0.354 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000646152189 484963635 /nfs/dbraw/zinc/96/36/35/484963635.db2.gz OPFWYFOAAHVUJN-UHFFFAOYSA-N -1 0 374.419 -0.010 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000646152999 484963281 /nfs/dbraw/zinc/96/32/81/484963281.db2.gz UQQUEFLWFFUTJZ-MNOVXSKESA-N -1 0 356.404 -0.088 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646153415 484963778 /nfs/dbraw/zinc/96/37/78/484963778.db2.gz AHUPFNVESOZRBN-LLVKDONJSA-N -1 0 363.436 -0.409 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NCC2(C(=O)[O-])CCOCC2)O1 ZINC000646154474 484964569 /nfs/dbraw/zinc/96/45/69/484964569.db2.gz UYPDWAHWQXDQNC-NEPJUHHUSA-N -1 0 357.407 -0.197 20 0 FBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NCC2(C(=O)[O-])CCOCC2)O1 ZINC000646154475 484964993 /nfs/dbraw/zinc/96/49/93/484964993.db2.gz UYPDWAHWQXDQNC-NWDGAFQWSA-N -1 0 357.407 -0.197 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NCC2(C(=O)[O-])CCOCC2)O1 ZINC000646154476 484964602 /nfs/dbraw/zinc/96/46/02/484964602.db2.gz UYPDWAHWQXDQNC-RYUDHWBXSA-N -1 0 357.407 -0.197 20 0 FBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NCC2(C(=O)[O-])CCOCC2)O1 ZINC000646154477 484964978 /nfs/dbraw/zinc/96/49/78/484964978.db2.gz UYPDWAHWQXDQNC-VXGBXAGGSA-N -1 0 357.407 -0.197 20 0 FBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646155732 484965343 /nfs/dbraw/zinc/96/53/43/484965343.db2.gz FFWDCSQSJNBHEN-CHWSQXEVSA-N -1 0 360.407 -0.013 20 0 FBADRM COCCO[C@H]1COCC[C@H]1NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646155733 484965454 /nfs/dbraw/zinc/96/54/54/484965454.db2.gz FFWDCSQSJNBHEN-OLZOCXBDSA-N -1 0 360.407 -0.013 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646155734 484965277 /nfs/dbraw/zinc/96/52/77/484965277.db2.gz FFWDCSQSJNBHEN-QWHCGFSZSA-N -1 0 360.407 -0.013 20 0 FBADRM COCCO[C@H]1COCC[C@@H]1NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646155735 484965317 /nfs/dbraw/zinc/96/53/17/484965317.db2.gz FFWDCSQSJNBHEN-STQMWFEESA-N -1 0 360.407 -0.013 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000646156258 484966749 /nfs/dbraw/zinc/96/67/49/484966749.db2.gz XUFGWBHAQFAWCO-UHFFFAOYSA-N -1 0 350.441 -0.285 20 0 FBADRM CO[C@@H]1COC[C@H]1n1cc(CNC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)nn1 ZINC000646158107 484966450 /nfs/dbraw/zinc/96/64/50/484966450.db2.gz BLEQYOILGDFBRH-XKAARJIMSA-N -1 0 353.379 -0.083 20 0 FBADRM CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000646158187 484966764 /nfs/dbraw/zinc/96/67/64/484966764.db2.gz JMKWKLSIPKEATH-QJPTWQEYSA-N -1 0 362.452 -0.190 20 0 FBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646160401 484967150 /nfs/dbraw/zinc/96/71/50/484967150.db2.gz LCFBBUIDEDXCGD-JTQLQIEISA-N -1 0 351.425 -0.505 20 0 FBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646160402 484968050 /nfs/dbraw/zinc/96/80/50/484968050.db2.gz LCFBBUIDEDXCGD-SNVBAGLBSA-N -1 0 351.425 -0.505 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)CCO1 ZINC000646163664 484972696 /nfs/dbraw/zinc/97/26/96/484972696.db2.gz KHJXFXLJPLZZSG-CMPLNLGQSA-N -1 0 370.383 -0.284 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)CCO1 ZINC000646163665 484973246 /nfs/dbraw/zinc/97/32/46/484973246.db2.gz KHJXFXLJPLZZSG-JQWIXIFHSA-N -1 0 370.383 -0.284 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CCO1 ZINC000646163666 484972584 /nfs/dbraw/zinc/97/25/84/484972584.db2.gz KHJXFXLJPLZZSG-PWSUYJOCSA-N -1 0 370.383 -0.284 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CCO1 ZINC000646163667 484972691 /nfs/dbraw/zinc/97/26/91/484972691.db2.gz KHJXFXLJPLZZSG-ZYHUDNBSSA-N -1 0 370.383 -0.284 20 0 FBADRM CN(CCN1CCCS1(=O)=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646166298 484976929 /nfs/dbraw/zinc/97/69/29/484976929.db2.gz DYBMDECGNQRZHF-UHFFFAOYSA-N -1 0 363.436 -0.455 20 0 FBADRM COCCN1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1=O ZINC000646168325 484978406 /nfs/dbraw/zinc/97/84/06/484978406.db2.gz ADFAWJWIHXCZBO-UHFFFAOYSA-N -1 0 357.407 -0.242 20 0 FBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC000646169040 484978785 /nfs/dbraw/zinc/97/87/85/484978785.db2.gz GOVPFHAZMQAKOY-LLVKDONJSA-N -1 0 363.436 -0.409 20 0 FBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC000646169041 484978087 /nfs/dbraw/zinc/97/80/87/484978087.db2.gz GOVPFHAZMQAKOY-NSHDSACASA-N -1 0 363.436 -0.409 20 0 FBADRM C[C@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CCN1S(C)(=O)=O ZINC000646169445 484978859 /nfs/dbraw/zinc/97/88/59/484978859.db2.gz ZSCCRZABIITVJN-NSHDSACASA-N -1 0 363.436 -0.457 20 0 FBADRM Nc1nsc(N2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)n1 ZINC000646169815 484554019 /nfs/dbraw/zinc/55/40/19/484554019.db2.gz OBVIIMJQRAZDLI-UHFFFAOYSA-N -1 0 370.435 -0.167 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646170230 484979218 /nfs/dbraw/zinc/97/92/18/484979218.db2.gz IBWDZUCUVSELBQ-LLVKDONJSA-N -1 0 363.436 -0.409 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646170231 484980343 /nfs/dbraw/zinc/98/03/43/484980343.db2.gz IBWDZUCUVSELBQ-NSHDSACASA-N -1 0 363.436 -0.409 20 0 FBADRM Cn1cc(N2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2=O)cn1 ZINC000646170332 484980050 /nfs/dbraw/zinc/98/00/50/484980050.db2.gz MTMZSLUSKCAIQD-UHFFFAOYSA-N -1 0 365.390 -0.340 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC000646170862 484979716 /nfs/dbraw/zinc/97/97/16/484979716.db2.gz KJKQNETXWPFHJJ-LLVKDONJSA-N -1 0 363.436 -0.409 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC000646170863 484979562 /nfs/dbraw/zinc/97/95/62/484979562.db2.gz KJKQNETXWPFHJJ-NSHDSACASA-N -1 0 363.436 -0.409 20 0 FBADRM CS(=O)(=O)N1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1 ZINC000646172237 484986096 /nfs/dbraw/zinc/98/60/96/484986096.db2.gz GJFYANVEKFZQIP-UHFFFAOYSA-N -1 0 363.436 -0.455 20 0 FBADRM O=C([O-])C1(CNC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CCOCC1 ZINC000646172749 484988144 /nfs/dbraw/zinc/98/81/44/484988144.db2.gz IIEWQAFJUARYAS-CYBMUJFWSA-N -1 0 369.418 -0.099 20 0 FBADRM O=C([O-])C1(CNC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CCOCC1 ZINC000646172750 484987237 /nfs/dbraw/zinc/98/72/37/484987237.db2.gz IIEWQAFJUARYAS-ZDUSSCGKSA-N -1 0 369.418 -0.099 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000646173570 484990710 /nfs/dbraw/zinc/99/07/10/484990710.db2.gz GKSGRHIWSOJFJN-NWDGAFQWSA-N -1 0 354.407 -0.382 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000646174204 484990841 /nfs/dbraw/zinc/99/08/41/484990841.db2.gz FRZZVGLFKXOSMK-PWSUYJOCSA-N -1 0 352.391 -0.628 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000646174324 484990792 /nfs/dbraw/zinc/99/07/92/484990792.db2.gz MCLIRUUHTCPQCL-OLZOCXBDSA-N -1 0 366.418 -0.284 20 0 FBADRM CN(C)S(=O)(=O)N1CCCN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000646180054 484997339 /nfs/dbraw/zinc/99/73/39/484997339.db2.gz QXGMKXUOYVQPFU-NWDGAFQWSA-N -1 0 362.452 -0.237 20 0 FBADRM C[C@@H](C(=O)Nc1ncccc1O)[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC000646201075 485013973 /nfs/dbraw/zinc/01/39/73/485013973.db2.gz QMSGTEACLVYJBS-BDAKNGLRSA-N -1 0 361.358 -0.020 20 0 FBADRM C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@H](C)C(=O)Nc1ncccc1O ZINC000646201076 485014620 /nfs/dbraw/zinc/01/46/20/485014620.db2.gz QMSGTEACLVYJBS-DTWKUNHWSA-N -1 0 361.358 -0.020 20 0 FBADRM C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@H](C)C(=O)Nc1ncccc1O ZINC000646201077 485014103 /nfs/dbraw/zinc/01/41/03/485014103.db2.gz QMSGTEACLVYJBS-IUCAKERBSA-N -1 0 361.358 -0.020 20 0 FBADRM C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)[C@@H](C)C(=O)Nc1ncccc1O ZINC000646201078 485013811 /nfs/dbraw/zinc/01/38/11/485013811.db2.gz QMSGTEACLVYJBS-RKDXNWHRSA-N -1 0 361.358 -0.020 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCCS(=O)(=O)NCC(C)(C)O)n1 ZINC000646468748 483934687 /nfs/dbraw/zinc/93/46/87/483934687.db2.gz SYVXEOGMMIXLCL-UHFFFAOYSA-N -1 0 368.481 -0.368 20 0 FBADRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CNS(=O)(=O)N(C)C)c1 ZINC000646589354 484079543 /nfs/dbraw/zinc/07/95/43/484079543.db2.gz USQLGESKXUPHHH-UHFFFAOYSA-N -1 0 365.433 -0.480 20 0 FBADRM O=C(C(=O)N1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1)N1CCCC1 ZINC000646686259 484191227 /nfs/dbraw/zinc/19/12/27/484191227.db2.gz LNVJSZWOLUTDNT-UHFFFAOYSA-N -1 0 373.369 -0.165 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC000646687163 484190983 /nfs/dbraw/zinc/19/09/83/484190983.db2.gz XVSWMKYASGGQQQ-UHFFFAOYSA-N -1 0 361.358 -0.263 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NC1COCCOC1 ZINC000646803863 484244482 /nfs/dbraw/zinc/24/44/82/484244482.db2.gz JGLZLMGGGSDSCE-UHFFFAOYSA-N -1 0 350.343 -0.225 20 0 FBADRM Cc1nc([N-]C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)nn1C ZINC000646988988 484458941 /nfs/dbraw/zinc/45/89/41/484458941.db2.gz RTRVSMDINOWYDA-UHFFFAOYSA-N -1 0 355.376 -0.010 20 0 FBADRM Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)CC2)no1 ZINC000647115104 484299233 /nfs/dbraw/zinc/29/92/33/484299233.db2.gz ICQPJPSQNFYUAX-UONOGXRCSA-N -1 0 364.402 0.423 20 0 FBADRM CO[C@H](CS(=O)(=O)[N-]c1ccn(CC(=O)N2CCOCC2)n1)C1CC1 ZINC000647127578 483668898 /nfs/dbraw/zinc/66/88/98/483668898.db2.gz VWNLWBVQBDNAPD-CYBMUJFWSA-N -1 0 372.447 -0.091 20 0 FBADRM CO[C@@H](CS(=O)(=O)[N-]c1ccn(CC(=O)N2CCOCC2)n1)C1CC1 ZINC000647127579 483668919 /nfs/dbraw/zinc/66/89/19/483668919.db2.gz VWNLWBVQBDNAPD-ZDUSSCGKSA-N -1 0 372.447 -0.091 20 0 FBADRM COc1ccc(C(=O)Cn2cnc3c(nnn3C)c2=O)c2occ([O-])c21 ZINC000647135356 483687617 /nfs/dbraw/zinc/68/76/17/483687617.db2.gz OBYFQRLHYHSCIN-UHFFFAOYSA-N -1 0 355.310 -0.008 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)CCC(=O)[O-])c1 ZINC000647140407 483697939 /nfs/dbraw/zinc/69/79/39/483697939.db2.gz ALUXVDLMXRROEB-SECBINFHSA-N -1 0 357.388 -0.097 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)CCC(=O)[O-])c1 ZINC000647140408 483698176 /nfs/dbraw/zinc/69/81/76/483698176.db2.gz ALUXVDLMXRROEB-VIFPVBQESA-N -1 0 357.388 -0.097 20 0 FBADRM C[C@H](C(=O)[O-])C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000647156527 483721954 /nfs/dbraw/zinc/72/19/54/483721954.db2.gz CEBOZKKNUMIAJA-JTQLQIEISA-N -1 0 356.404 -0.178 20 0 FBADRM C[C@@H](C(=O)[O-])C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000647156528 483721916 /nfs/dbraw/zinc/72/19/16/483721916.db2.gz CEBOZKKNUMIAJA-SNVBAGLBSA-N -1 0 356.404 -0.178 20 0 FBADRM CS(=O)(=O)N1CCN(c2ccc(NC(=O)CCC(=O)[O-])cn2)CC1 ZINC000647156764 600449855 /nfs/dbraw/zinc/44/98/55/600449855.db2.gz QLGIEESUARJSLE-UHFFFAOYSA-N -1 0 356.404 -0.034 20 0 FBADRM O=C(CCC(=O)N1CCO[C@@H](C(=O)[O-])C1)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000647219644 484367805 /nfs/dbraw/zinc/36/78/05/484367805.db2.gz RLXOJDBCPLMQAG-SECBINFHSA-N -1 0 363.330 -0.306 20 0 FBADRM O=C(CCC(=O)N1CCO[C@H](C(=O)[O-])C1)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000647219645 484368562 /nfs/dbraw/zinc/36/85/62/484368562.db2.gz RLXOJDBCPLMQAG-VIFPVBQESA-N -1 0 363.330 -0.306 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CCO1 ZINC000647219669 483793425 /nfs/dbraw/zinc/79/34/25/483793425.db2.gz TTYXJHAFIFSTDH-IHRRRGAJSA-N -1 0 352.387 -0.260 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CCO1 ZINC000647219670 483792999 /nfs/dbraw/zinc/79/29/99/483792999.db2.gz TTYXJHAFIFSTDH-MCIONIFRSA-N -1 0 352.387 -0.260 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CCO1 ZINC000647219672 483793048 /nfs/dbraw/zinc/79/30/48/483793048.db2.gz TTYXJHAFIFSTDH-MJBXVCDLSA-N -1 0 352.387 -0.260 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CCO1 ZINC000647219673 483793427 /nfs/dbraw/zinc/79/34/27/483793427.db2.gz TTYXJHAFIFSTDH-RDBSUJKOSA-N -1 0 352.387 -0.260 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC000647232761 483834429 /nfs/dbraw/zinc/83/44/29/483834429.db2.gz AQUAZNFKELAFCY-HNNXBMFYSA-N -1 0 372.399 -0.491 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC000647232762 483834492 /nfs/dbraw/zinc/83/44/92/483834492.db2.gz AQUAZNFKELAFCY-OAHLLOKOSA-N -1 0 372.399 -0.491 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC[C@](C)(O)C(=O)[O-])cc1 ZINC000647233042 483834426 /nfs/dbraw/zinc/83/44/26/483834426.db2.gz POBQBOCKLWNOSE-HNNXBMFYSA-N -1 0 372.399 -0.491 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC[C@@](C)(O)C(=O)[O-])cc1 ZINC000647233043 483834406 /nfs/dbraw/zinc/83/44/06/483834406.db2.gz POBQBOCKLWNOSE-OAHLLOKOSA-N -1 0 372.399 -0.491 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NC(=O)CN2CN=NC2=O)C1=O ZINC000647242686 483846123 /nfs/dbraw/zinc/84/61/23/483846123.db2.gz VGPQJHVEOCLWPV-AAEUAGOBSA-N -1 0 359.342 -0.473 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CN2CN=NC2=O)C1=O ZINC000647242687 483845730 /nfs/dbraw/zinc/84/57/30/483845730.db2.gz VGPQJHVEOCLWPV-DGCLKSJQSA-N -1 0 359.342 -0.473 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CN2CN=NC2=O)C1=O ZINC000647242688 483846020 /nfs/dbraw/zinc/84/60/20/483846020.db2.gz VGPQJHVEOCLWPV-WCQYABFASA-N -1 0 359.342 -0.473 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CN2CN=NC2=O)C1=O ZINC000647242689 483846065 /nfs/dbraw/zinc/84/60/65/483846065.db2.gz VGPQJHVEOCLWPV-YPMHNXCESA-N -1 0 359.342 -0.473 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000647247900 483854400 /nfs/dbraw/zinc/85/44/00/483854400.db2.gz KFTLGVGEJKGPJX-AWEZNQCLSA-N -1 0 359.404 -0.124 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000647247901 483854708 /nfs/dbraw/zinc/85/47/08/483854708.db2.gz KFTLGVGEJKGPJX-CQSZACIVSA-N -1 0 359.404 -0.124 20 0 FBADRM Cn1c2ncn(CCC(=O)N3CC[C@](C)(C(=O)[O-])C3)c2c(=O)n(C)c1=O ZINC000647248393 483856587 /nfs/dbraw/zinc/85/65/87/483856587.db2.gz SXCPHKBBJASAQO-INIZCTEOSA-N -1 0 363.374 -0.853 20 0 FBADRM Cn1c2ncn(CCC(=O)N3CC[C@@](C)(C(=O)[O-])C3)c2c(=O)n(C)c1=O ZINC000647248394 483856267 /nfs/dbraw/zinc/85/62/67/483856267.db2.gz SXCPHKBBJASAQO-MRXNPFEDSA-N -1 0 363.374 -0.853 20 0 FBADRM CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)[O-] ZINC000647254654 483867042 /nfs/dbraw/zinc/86/70/42/483867042.db2.gz HKUQQJWGNRLXIE-LBPRGKRZSA-N -1 0 369.399 -0.600 20 0 FBADRM CC[C@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)C(=O)[O-] ZINC000647257258 484447780 /nfs/dbraw/zinc/44/77/80/484447780.db2.gz WYKCIKDHKYABFG-VIFPVBQESA-N -1 0 363.374 -0.030 20 0 FBADRM CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C(=O)[O-] ZINC000647258202 483871470 /nfs/dbraw/zinc/87/14/70/483871470.db2.gz VQRWZNNGOMSUSR-NSHDSACASA-N -1 0 359.404 -0.361 20 0 FBADRM CC[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000647258341 483872603 /nfs/dbraw/zinc/87/26/03/483872603.db2.gz ABCRLKNPFQEHSE-LBPRGKRZSA-N -1 0 371.415 -0.354 20 0 FBADRM Cc1cc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000647261772 483880039 /nfs/dbraw/zinc/88/00/39/483880039.db2.gz FYRKQPSYOCCBOG-VHSXEESVSA-N -1 0 360.370 -0.076 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000647261839 483880094 /nfs/dbraw/zinc/88/00/94/483880094.db2.gz UJDKSHVOUHOXEL-VHSXEESVSA-N -1 0 359.404 -0.078 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000647261957 483881189 /nfs/dbraw/zinc/88/11/89/483881189.db2.gz AQJRRHCFELSWOY-WDEREUQCSA-N -1 0 354.384 -0.071 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cn1C ZINC000647262033 483881063 /nfs/dbraw/zinc/88/10/63/483881063.db2.gz QYZKNJAFACVMBS-WDEREUQCSA-N -1 0 358.420 -0.234 20 0 FBADRM Cn1c2ncn(CCC(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)c2c(=O)n(C)c1=O ZINC000647265032 483884933 /nfs/dbraw/zinc/88/49/33/483884933.db2.gz LSAUDMYRGWVLPU-VHSXEESVSA-N -1 0 363.374 -0.807 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cnc(OC)c(Cl)c2)n1 ZINC000647266902 483888799 /nfs/dbraw/zinc/88/87/99/483888799.db2.gz CZORHELVMFGDFV-UHFFFAOYSA-N -1 0 360.783 -0.118 20 0 FBADRM CN1CCN(S(=O)(=O)N2CCN(c3ccc(C(=O)[O-])cn3)CC2)CC1 ZINC000647448699 484132640 /nfs/dbraw/zinc/13/26/40/484132640.db2.gz XIHRWUSWXWPIEC-UHFFFAOYSA-N -1 0 369.447 -0.606 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000647478788 484148404 /nfs/dbraw/zinc/14/84/04/484148404.db2.gz AVJDEEGMJMRCSR-GFCCVEGCSA-N -1 0 369.399 -0.137 20 0 FBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000647478789 484148546 /nfs/dbraw/zinc/14/85/46/484148546.db2.gz AVJDEEGMJMRCSR-LBPRGKRZSA-N -1 0 369.399 -0.137 20 0 FBADRM CN(CCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1)S(C)(=O)=O ZINC000647478812 484147680 /nfs/dbraw/zinc/14/76/80/484147680.db2.gz ITHTWEUPFOURSR-UHFFFAOYSA-N -1 0 357.388 -0.279 20 0 FBADRM CS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000647478882 484148431 /nfs/dbraw/zinc/14/84/31/484148431.db2.gz ZBBKNQBUMBYUOJ-UHFFFAOYSA-N -1 0 369.399 -0.137 20 0 FBADRM O=C([O-])c1cccc(NC(=O)C(=O)NCCCN2CCCS2(=O)=O)c1 ZINC000647479054 484149317 /nfs/dbraw/zinc/14/93/17/484149317.db2.gz KDQJTBCYAWYKIS-UHFFFAOYSA-N -1 0 369.399 -0.135 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1)NS(C)(=O)=O ZINC000647479940 484150544 /nfs/dbraw/zinc/15/05/44/484150544.db2.gz YIXHDZYUXKIUPG-UHFFFAOYSA-N -1 0 357.388 -0.233 20 0 FBADRM CS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000647481496 484156411 /nfs/dbraw/zinc/15/64/11/484156411.db2.gz JIQWKZAUTWTQKE-UHFFFAOYSA-N -1 0 355.372 -0.669 20 0 FBADRM CCc1ccc(NC(=O)C(=O)NCCCC(=O)[O-])cc1S(N)(=O)=O ZINC000647484288 484162012 /nfs/dbraw/zinc/16/20/12/484162012.db2.gz CYTDIYUTEZKJJJ-UHFFFAOYSA-N -1 0 357.388 -0.184 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000647485031 484162672 /nfs/dbraw/zinc/16/26/72/484162672.db2.gz YCDAABVIJRQTQA-UHFFFAOYSA-N -1 0 369.399 -0.014 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000647485254 484162385 /nfs/dbraw/zinc/16/23/85/484162385.db2.gz JMYZJMFOVADVOU-UHFFFAOYSA-N -1 0 369.399 -0.014 20 0 FBADRM COCCCn1ccc(NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)n1 ZINC000647485270 484311690 /nfs/dbraw/zinc/31/16/90/484311690.db2.gz KIRBWWABKXXBFS-UHFFFAOYSA-N -1 0 352.391 0.571 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)cc1C(N)=O ZINC000647485366 484163752 /nfs/dbraw/zinc/16/37/52/484163752.db2.gz SOGWPLUYUSWBPX-UHFFFAOYSA-N -1 0 364.358 -0.159 20 0 FBADRM CC[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000647487924 484167778 /nfs/dbraw/zinc/16/77/78/484167778.db2.gz JAEOSWSEFOAGTC-NSHDSACASA-N -1 0 357.388 -0.145 20 0 FBADRM CC[C@H](NC(=O)C(=O)Nc1ccc(OC)c(OCC(N)=O)c1)C(=O)[O-] ZINC000647488006 484169083 /nfs/dbraw/zinc/16/90/83/484169083.db2.gz OYABVTKCHCFGBL-VIFPVBQESA-N -1 0 353.331 -0.523 20 0 FBADRM CC[C@H](NC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1)C(=O)[O-] ZINC000647488085 484169596 /nfs/dbraw/zinc/16/95/96/484169596.db2.gz XAWJFEQSCNRWJJ-JTQLQIEISA-N -1 0 357.388 -0.179 20 0 FBADRM CCc1ccc(NC(=O)C(=O)N[C@@H](CC)C(=O)[O-])cc1S(N)(=O)=O ZINC000647488563 484170050 /nfs/dbraw/zinc/17/00/50/484170050.db2.gz CIVPCFGWILESEI-JTQLQIEISA-N -1 0 357.388 -0.186 20 0 FBADRM CC[C@H](NC(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1)C(=O)[O-] ZINC000647488802 484169402 /nfs/dbraw/zinc/16/94/02/484169402.db2.gz VNGVPTRQTLOQOQ-JTQLQIEISA-N -1 0 362.346 -0.103 20 0 FBADRM CC[C@H](NC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)C(=O)[O-] ZINC000647488829 484169049 /nfs/dbraw/zinc/16/90/49/484169049.db2.gz XFLHKZQPLYKXIZ-NSHDSACASA-N -1 0 357.388 -0.346 20 0 FBADRM CC[C@H](NC(=O)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C)C(=O)[O-] ZINC000647488841 484169380 /nfs/dbraw/zinc/16/93/80/484169380.db2.gz YGIBILNCBNSENZ-JTQLQIEISA-N -1 0 357.388 -0.131 20 0 FBADRM CC[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)C(=O)[O-] ZINC000647489045 484170106 /nfs/dbraw/zinc/17/01/06/484170106.db2.gz KWMKQGVPODRFDQ-LBPRGKRZSA-N -1 0 365.390 -0.140 20 0 FBADRM CC[C@H](NC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O)C(=O)[O-] ZINC000647489188 484170003 /nfs/dbraw/zinc/17/00/03/484170003.db2.gz VYKOQHVWRHCIHR-JTQLQIEISA-N -1 0 369.399 -0.073 20 0 FBADRM CC[C@H](NC(=O)C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1)C(=O)[O-] ZINC000647489249 484169625 /nfs/dbraw/zinc/16/96/25/484169625.db2.gz ZDWODNGRQFTCJK-VIFPVBQESA-N -1 0 373.387 -0.015 20 0 FBADRM CC[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1C)C(=O)[O-] ZINC000647489255 484169272 /nfs/dbraw/zinc/16/92/72/484169272.db2.gz ZYBPHYYBBPXVGA-VIFPVBQESA-N -1 0 357.388 -0.179 20 0 FBADRM CC[C@H](NC(=O)C(=O)Nc1cccc(C(=O)NCCOC)c1)C(=O)[O-] ZINC000647489439 484169764 /nfs/dbraw/zinc/16/97/64/484169764.db2.gz CARCGZHCJVVINQ-LBPRGKRZSA-N -1 0 351.359 -0.019 20 0 FBADRM CC[C@H](NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1)C(=O)[O-] ZINC000647489473 484170805 /nfs/dbraw/zinc/17/08/05/484170805.db2.gz GHXSNDPZGGGBSE-VIFPVBQESA-N -1 0 361.351 -0.348 20 0 FBADRM CC[C@H](NC(=O)C(=O)Nc1cc(NS(C)(=O)=O)ccc1OC)C(=O)[O-] ZINC000647489515 484170939 /nfs/dbraw/zinc/17/09/39/484170939.db2.gz JDDXROLXVWQCAK-VIFPVBQESA-N -1 0 373.387 -0.015 20 0 FBADRM COc1ccc(NC(=O)C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)c(OC)n1 ZINC000647490279 484173595 /nfs/dbraw/zinc/17/35/95/484173595.db2.gz JSGLZVRWFJFMON-LLVKDONJSA-N -1 0 363.330 -0.287 20 0 FBADRM COc1ccc(NC(=O)C(=O)N[C@H](C(=O)[O-])c2ccnn2C)c(OC)n1 ZINC000647490280 484173888 /nfs/dbraw/zinc/17/38/88/484173888.db2.gz JSGLZVRWFJFMON-NSHDSACASA-N -1 0 363.330 -0.287 20 0 FBADRM CCn1nc(NC(=O)C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cc1C1CC1 ZINC000647490325 484474619 /nfs/dbraw/zinc/47/46/19/484474619.db2.gz NIZNAWFTVUPAKW-CYBMUJFWSA-N -1 0 360.374 0.395 20 0 FBADRM CCn1nc(NC(=O)C(=O)N[C@H](C(=O)[O-])c2ccnn2C)cc1C1CC1 ZINC000647490326 484475701 /nfs/dbraw/zinc/47/57/01/484475701.db2.gz NIZNAWFTVUPAKW-ZDUSSCGKSA-N -1 0 360.374 0.395 20 0 FBADRM CC(C)CCn1ccc(NC(=O)C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)n1 ZINC000647490339 484172097 /nfs/dbraw/zinc/17/20/97/484172097.db2.gz OZIHXZAUAHXOMM-CYBMUJFWSA-N -1 0 362.390 0.543 20 0 FBADRM CC(C)CCn1ccc(NC(=O)C(=O)N[C@H](C(=O)[O-])c2ccnn2C)n1 ZINC000647490340 484174074 /nfs/dbraw/zinc/17/40/74/484174074.db2.gz OZIHXZAUAHXOMM-ZDUSSCGKSA-N -1 0 362.390 0.543 20 0 FBADRM COCCCn1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC000647491349 484311635 /nfs/dbraw/zinc/31/16/35/484311635.db2.gz PFUVJVWOJHVESR-NWDGAFQWSA-N -1 0 352.391 0.536 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)cc21 ZINC000647491671 484175562 /nfs/dbraw/zinc/17/55/62/484175562.db2.gz AGMZYCSOUFXPFW-JGVFFNPUSA-N -1 0 359.342 -0.030 20 0 FBADRM Cn1cnn(-c2ccc(NC(=O)C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)cc2)c1=O ZINC000647491723 484175149 /nfs/dbraw/zinc/17/51/49/484175149.db2.gz GQCLNMNTGOPHFQ-CMPLNLGQSA-N -1 0 373.369 -0.121 20 0 FBADRM COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647491805 484175603 /nfs/dbraw/zinc/17/56/03/484175603.db2.gz OMOCKDCAQHYLCK-DTWKUNHWSA-N -1 0 351.363 -0.141 20 0 FBADRM CNS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000647491881 484175533 /nfs/dbraw/zinc/17/55/33/484175533.db2.gz WGHYDIXQNLWPJE-GXSJLCMTSA-N -1 0 369.399 -0.097 20 0 FBADRM NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000647492200 484175242 /nfs/dbraw/zinc/17/52/42/484175242.db2.gz OHJZHGCSDVIIHY-IONNQARKSA-N -1 0 373.362 -0.219 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000647492243 484175476 /nfs/dbraw/zinc/17/54/76/484175476.db2.gz SLJIQSLGOIGZPM-VHSXEESVSA-N -1 0 369.399 -0.050 20 0 FBADRM COc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1-n1cnnn1 ZINC000647492261 484175438 /nfs/dbraw/zinc/17/54/38/484175438.db2.gz VTQOSGUEQVBROM-VHSXEESVSA-N -1 0 374.357 -0.021 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000647500405 484218628 /nfs/dbraw/zinc/21/86/28/484218628.db2.gz KWCRAJKHKRUIOU-UHFFFAOYSA-N -1 0 361.402 -0.162 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C[C@@H]1C(=O)[O-] ZINC000647500978 484220199 /nfs/dbraw/zinc/22/01/99/484220199.db2.gz ZNDGAJMLPDKMLQ-ILXRZTDVSA-N -1 0 367.446 -0.121 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C[C@@H]1C(=O)[O-] ZINC000647500979 484219532 /nfs/dbraw/zinc/21/95/32/484219532.db2.gz ZNDGAJMLPDKMLQ-KFWWJZLASA-N -1 0 367.446 -0.121 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C[C@H]1C(=O)[O-] ZINC000647500980 484219904 /nfs/dbraw/zinc/21/99/04/484219904.db2.gz ZNDGAJMLPDKMLQ-QLFBSQMISA-N -1 0 367.446 -0.121 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C[C@H]1C(=O)[O-] ZINC000647500981 484220476 /nfs/dbraw/zinc/22/04/76/484220476.db2.gz ZNDGAJMLPDKMLQ-RBSFLKMASA-N -1 0 367.446 -0.121 20 0 FBADRM CN(C)C(=O)N1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC1 ZINC000647501586 484223901 /nfs/dbraw/zinc/22/39/01/484223901.db2.gz JYOHFHYDJYUQOI-UHFFFAOYSA-N -1 0 354.407 -0.475 20 0 FBADRM COCC(=O)N1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC1 ZINC000647501660 484225557 /nfs/dbraw/zinc/22/55/57/484225557.db2.gz QTCPFPYGOUNTBJ-UHFFFAOYSA-N -1 0 355.391 -0.983 20 0 FBADRM CCOCCN1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000647501701 484225670 /nfs/dbraw/zinc/22/56/70/484225670.db2.gz WXTLEWOKLDZHMK-KBPBESRZSA-N -1 0 355.435 -0.264 20 0 FBADRM CCOCCN1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000647501702 484225980 /nfs/dbraw/zinc/22/59/80/484225980.db2.gz WXTLEWOKLDZHMK-KGLIPLIRSA-N -1 0 355.435 -0.264 20 0 FBADRM CCOCCN1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000647501703 484225569 /nfs/dbraw/zinc/22/55/69/484225569.db2.gz WXTLEWOKLDZHMK-UONOGXRCSA-N -1 0 355.435 -0.264 20 0 FBADRM CCOCCN1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000647501704 484226046 /nfs/dbraw/zinc/22/60/46/484226046.db2.gz WXTLEWOKLDZHMK-ZIAGYGMSSA-N -1 0 355.435 -0.264 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)CC1 ZINC000647501952 484227962 /nfs/dbraw/zinc/22/79/62/484227962.db2.gz HBWICQFHIAPFFX-GFCCVEGCSA-N -1 0 351.403 -0.031 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@H]2C(=O)NC2CC2)CC1 ZINC000647501953 484228081 /nfs/dbraw/zinc/22/80/81/484228081.db2.gz HBWICQFHIAPFFX-LBPRGKRZSA-N -1 0 351.403 -0.031 20 0 FBADRM COCC(=O)NC1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000647501988 484228517 /nfs/dbraw/zinc/22/85/17/484228517.db2.gz JUNLPHFQRZEKEK-AAEUAGOBSA-N -1 0 369.418 -0.691 20 0 FBADRM COCC(=O)NC1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000647501989 484228236 /nfs/dbraw/zinc/22/82/36/484228236.db2.gz JUNLPHFQRZEKEK-DGCLKSJQSA-N -1 0 369.418 -0.691 20 0 FBADRM COCC(=O)NC1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000647501990 484227933 /nfs/dbraw/zinc/22/79/33/484227933.db2.gz JUNLPHFQRZEKEK-WCQYABFASA-N -1 0 369.418 -0.691 20 0 FBADRM COCC(=O)NC1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000647501991 484227864 /nfs/dbraw/zinc/22/78/64/484227864.db2.gz JUNLPHFQRZEKEK-YPMHNXCESA-N -1 0 369.418 -0.691 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000647502139 484229791 /nfs/dbraw/zinc/22/97/91/484229791.db2.gz WOCKROPYARQBTF-UHFFFAOYSA-N -1 0 361.402 -0.162 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)CC1 ZINC000647502865 484234310 /nfs/dbraw/zinc/23/43/10/484234310.db2.gz PUABOUQMVQBHJU-NEPJUHHUSA-N -1 0 351.403 -0.031 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)CC1 ZINC000647502866 484234320 /nfs/dbraw/zinc/23/43/20/484234320.db2.gz PUABOUQMVQBHJU-NWDGAFQWSA-N -1 0 351.403 -0.031 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)CC1 ZINC000647502867 484234711 /nfs/dbraw/zinc/23/47/11/484234711.db2.gz PUABOUQMVQBHJU-RYUDHWBXSA-N -1 0 351.403 -0.031 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)CC1 ZINC000647502868 484234522 /nfs/dbraw/zinc/23/45/22/484234522.db2.gz PUABOUQMVQBHJU-VXGBXAGGSA-N -1 0 351.403 -0.031 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(c3cccnn3)CC2)CC1 ZINC000647502910 484234891 /nfs/dbraw/zinc/23/48/91/484234891.db2.gz WHBUQMIGUBJTER-UHFFFAOYSA-N -1 0 361.402 -0.162 20 0 FBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647503691 484240627 /nfs/dbraw/zinc/24/06/27/484240627.db2.gz BXMYVGMCVWOGRO-GHMZBOCLSA-N -1 0 362.448 -0.020 20 0 FBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647503692 484240686 /nfs/dbraw/zinc/24/06/86/484240686.db2.gz BXMYVGMCVWOGRO-MNOVXSKESA-N -1 0 362.448 -0.020 20 0 FBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647503693 484240159 /nfs/dbraw/zinc/24/01/59/484240159.db2.gz BXMYVGMCVWOGRO-QWRGUYRKSA-N -1 0 362.448 -0.020 20 0 FBADRM C[C@H]([C@H](C)N(C)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)S(C)(=O)=O ZINC000647503694 484239981 /nfs/dbraw/zinc/23/99/81/484239981.db2.gz BXMYVGMCVWOGRO-WDEREUQCSA-N -1 0 362.448 -0.020 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CCO1 ZINC000647503795 484242201 /nfs/dbraw/zinc/24/22/01/484242201.db2.gz JYVONDBUESZIGJ-GFCCVEGCSA-N -1 0 355.391 -0.937 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CCO1 ZINC000647503796 484242388 /nfs/dbraw/zinc/24/23/88/484242388.db2.gz JYVONDBUESZIGJ-LBPRGKRZSA-N -1 0 355.391 -0.937 20 0 FBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647503807 484242223 /nfs/dbraw/zinc/24/22/23/484242223.db2.gz LGQLRAARGQPAQP-LLVKDONJSA-N -1 0 362.448 -0.019 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647503808 484242018 /nfs/dbraw/zinc/24/20/18/484242018.db2.gz LGQLRAARGQPAQP-NSHDSACASA-N -1 0 362.448 -0.019 20 0 FBADRM CCN(C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)[C@H](C)CS(C)(=O)=O ZINC000647503881 484240293 /nfs/dbraw/zinc/24/02/93/484240293.db2.gz RKVMERTXAINCMT-LLVKDONJSA-N -1 0 362.448 -0.019 20 0 FBADRM CCN(C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)[C@@H](C)CS(C)(=O)=O ZINC000647503882 484240765 /nfs/dbraw/zinc/24/07/65/484240765.db2.gz RKVMERTXAINCMT-NSHDSACASA-N -1 0 362.448 -0.019 20 0 FBADRM Cn1cc(N2CCN(C(=O)C(=O)N3CCC(C)(C(=O)[O-])CC3)CC2)cn1 ZINC000647503906 484242472 /nfs/dbraw/zinc/24/24/72/484242472.db2.gz UDJAVMBUEQPKCZ-UHFFFAOYSA-N -1 0 363.418 -0.218 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000647504766 484250661 /nfs/dbraw/zinc/25/06/61/484250661.db2.gz OYIXCFKMGWHIII-LLVKDONJSA-N -1 0 360.432 -0.265 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000647504767 484250985 /nfs/dbraw/zinc/25/09/85/484250985.db2.gz OYIXCFKMGWHIII-NSHDSACASA-N -1 0 360.432 -0.265 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC(OCCCO)CC2)C[C@H]1C(=O)[O-] ZINC000647504834 484251515 /nfs/dbraw/zinc/25/15/15/484251515.db2.gz SSWYNWBYZUWKKW-GXTWGEPZSA-N -1 0 356.419 -0.054 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC(OCCCO)CC2)C[C@@H]1C(=O)[O-] ZINC000647504835 484251680 /nfs/dbraw/zinc/25/16/80/484251680.db2.gz SSWYNWBYZUWKKW-JSGCOSHPSA-N -1 0 356.419 -0.054 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC(OCCCO)CC2)C[C@@H]1C(=O)[O-] ZINC000647504836 484251041 /nfs/dbraw/zinc/25/10/41/484251041.db2.gz SSWYNWBYZUWKKW-OCCSQVGLSA-N -1 0 356.419 -0.054 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC(OCCCO)CC2)C[C@H]1C(=O)[O-] ZINC000647504837 484251099 /nfs/dbraw/zinc/25/10/99/484251099.db2.gz SSWYNWBYZUWKKW-TZMCWYRMSA-N -1 0 356.419 -0.054 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)CC1 ZINC000647505068 484252213 /nfs/dbraw/zinc/25/22/13/484252213.db2.gz DBFYNISIFQXHHA-GFCCVEGCSA-N -1 0 366.418 -0.238 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CC1 ZINC000647505069 484252567 /nfs/dbraw/zinc/25/25/67/484252567.db2.gz DBFYNISIFQXHHA-LBPRGKRZSA-N -1 0 366.418 -0.238 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC1=O ZINC000647505119 484255269 /nfs/dbraw/zinc/25/52/69/484255269.db2.gz HTYYADISTANCQZ-UHFFFAOYSA-N -1 0 369.418 -0.593 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)C[C@H]1C(=O)[O-] ZINC000647505449 484254139 /nfs/dbraw/zinc/25/41/39/484254139.db2.gz XZKQDTSYUKFEGB-MQYQWHSLSA-N -1 0 354.403 -0.038 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)C[C@@H]1C(=O)[O-] ZINC000647505450 484255256 /nfs/dbraw/zinc/25/52/56/484255256.db2.gz XZKQDTSYUKFEGB-RFGFWPKPSA-N -1 0 354.403 -0.038 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)C[C@@H]1C(=O)[O-] ZINC000647505451 484254981 /nfs/dbraw/zinc/25/49/81/484254981.db2.gz XZKQDTSYUKFEGB-RQJABVFESA-N -1 0 354.403 -0.038 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)C[C@H]1C(=O)[O-] ZINC000647505452 484253817 /nfs/dbraw/zinc/25/38/17/484253817.db2.gz XZKQDTSYUKFEGB-SYQHCUMBSA-N -1 0 354.403 -0.038 20 0 FBADRM COCCN1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC1=O ZINC000647505518 484256228 /nfs/dbraw/zinc/25/62/28/484256228.db2.gz AJLUALAEUUXCPF-UHFFFAOYSA-N -1 0 355.391 -0.983 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)CC2)CCO1 ZINC000647505519 484256145 /nfs/dbraw/zinc/25/61/45/484256145.db2.gz ALXPCFHBCWUMNK-HNNXBMFYSA-N -1 0 361.398 -0.357 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)CC2)CCO1 ZINC000647505520 484256602 /nfs/dbraw/zinc/25/66/02/484256602.db2.gz ALXPCFHBCWUMNK-OAHLLOKOSA-N -1 0 361.398 -0.357 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3=O)C2)CC1 ZINC000647505566 484256859 /nfs/dbraw/zinc/25/68/59/484256859.db2.gz HREBYQMYDBXGFB-GFCCVEGCSA-N -1 0 351.403 -0.077 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3=O)C2)CC1 ZINC000647505567 484256467 /nfs/dbraw/zinc/25/64/67/484256467.db2.gz HREBYQMYDBXGFB-LBPRGKRZSA-N -1 0 351.403 -0.077 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000647505606 484258702 /nfs/dbraw/zinc/25/87/02/484258702.db2.gz LSPPBHIZHILSPT-UHFFFAOYSA-N -1 0 365.308 -0.110 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3=O)C2)C[C@@H]1C(=O)[O-] ZINC000647505665 484258397 /nfs/dbraw/zinc/25/83/97/484258397.db2.gz QSWBLZBYUJJJEV-AGIUHOORSA-N -1 0 351.403 -0.221 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3=O)C2)C[C@H]1C(=O)[O-] ZINC000647505666 484258579 /nfs/dbraw/zinc/25/85/79/484258579.db2.gz QSWBLZBYUJJJEV-FRRDWIJNSA-N -1 0 351.403 -0.221 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3=O)C2)C[C@H]1C(=O)[O-] ZINC000647505667 484258109 /nfs/dbraw/zinc/25/81/09/484258109.db2.gz QSWBLZBYUJJJEV-JHJVBQTASA-N -1 0 351.403 -0.221 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3=O)C2)C[C@@H]1C(=O)[O-] ZINC000647505668 484257985 /nfs/dbraw/zinc/25/79/85/484257985.db2.gz QSWBLZBYUJJJEV-UPJWGTAASA-N -1 0 351.403 -0.221 20 0 FBADRM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000647506134 484258691 /nfs/dbraw/zinc/25/86/91/484258691.db2.gz KDGNOWAMOUXCRG-AMIZOPFISA-N -1 0 365.308 -0.554 20 0 FBADRM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000647506135 484258442 /nfs/dbraw/zinc/25/84/42/484258442.db2.gz KDGNOWAMOUXCRG-ISVAXAHUSA-N -1 0 365.308 -0.554 20 0 FBADRM CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000647506136 484258311 /nfs/dbraw/zinc/25/83/11/484258311.db2.gz KDGNOWAMOUXCRG-OQPBUACISA-N -1 0 365.308 -0.554 20 0 FBADRM CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000647506137 484258547 /nfs/dbraw/zinc/25/85/47/484258547.db2.gz KDGNOWAMOUXCRG-SDBXPKJASA-N -1 0 365.308 -0.554 20 0 FBADRM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC000647506150 484258449 /nfs/dbraw/zinc/25/84/49/484258449.db2.gz LEKJPTBTUSJWEZ-AMIZOPFISA-N -1 0 367.324 -0.308 20 0 FBADRM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC000647506151 484257540 /nfs/dbraw/zinc/25/75/40/484257540.db2.gz LEKJPTBTUSJWEZ-ISVAXAHUSA-N -1 0 367.324 -0.308 20 0 FBADRM CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC000647506152 484258509 /nfs/dbraw/zinc/25/85/09/484258509.db2.gz LEKJPTBTUSJWEZ-OQPBUACISA-N -1 0 367.324 -0.308 20 0 FBADRM CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC000647506153 484258695 /nfs/dbraw/zinc/25/86/95/484258695.db2.gz LEKJPTBTUSJWEZ-SDBXPKJASA-N -1 0 367.324 -0.308 20 0 FBADRM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC000647506214 484258160 /nfs/dbraw/zinc/25/81/60/484258160.db2.gz SGJNEDONTSYNMM-GFCCVEGCSA-N -1 0 353.297 -0.554 20 0 FBADRM CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC000647506215 484257575 /nfs/dbraw/zinc/25/75/75/484257575.db2.gz SGJNEDONTSYNMM-LBPRGKRZSA-N -1 0 353.297 -0.554 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)C[C@H]1C(=O)[O-] ZINC000647506285 484259540 /nfs/dbraw/zinc/25/95/40/484259540.db2.gz BIGADLPITMNMFS-CHWSQXEVSA-N -1 0 355.435 -0.529 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)C[C@@H]1C(=O)[O-] ZINC000647506286 484259979 /nfs/dbraw/zinc/25/99/79/484259979.db2.gz BIGADLPITMNMFS-OLZOCXBDSA-N -1 0 355.435 -0.529 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)C[C@H]1C(=O)[O-] ZINC000647506287 484260405 /nfs/dbraw/zinc/26/04/05/484260405.db2.gz BIGADLPITMNMFS-QWHCGFSZSA-N -1 0 355.435 -0.529 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)C[C@@H]1C(=O)[O-] ZINC000647506288 484259253 /nfs/dbraw/zinc/25/92/53/484259253.db2.gz BIGADLPITMNMFS-STQMWFEESA-N -1 0 355.435 -0.529 20 0 FBADRM CN(C)C(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C1 ZINC000647509034 484263972 /nfs/dbraw/zinc/26/39/72/484263972.db2.gz HFCSKWUDDAGBJX-GFCCVEGCSA-N -1 0 368.434 -0.038 20 0 FBADRM CN(C)C(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C1 ZINC000647509035 484262830 /nfs/dbraw/zinc/26/28/30/484262830.db2.gz HFCSKWUDDAGBJX-LBPRGKRZSA-N -1 0 368.434 -0.038 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C[C@@H](C)S1(=O)=O ZINC000647509138 484263246 /nfs/dbraw/zinc/26/32/46/484263246.db2.gz PGEORFCBHDBNAQ-GHMZBOCLSA-N -1 0 360.432 -0.266 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C[C@H](C)S1(=O)=O ZINC000647509139 484263835 /nfs/dbraw/zinc/26/38/35/484263835.db2.gz PGEORFCBHDBNAQ-PHIMTYICSA-N -1 0 360.432 -0.266 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C[C@H](C)S1(=O)=O ZINC000647509140 484263751 /nfs/dbraw/zinc/26/37/51/484263751.db2.gz PGEORFCBHDBNAQ-QWRGUYRKSA-N -1 0 360.432 -0.266 20 0 FBADRM CC1(C)CN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CCS1(=O)=O ZINC000647509170 484263448 /nfs/dbraw/zinc/26/34/48/484263448.db2.gz QWFXJAMWDDCLGX-UHFFFAOYSA-N -1 0 360.432 -0.265 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)CC1 ZINC000647509274 484265614 /nfs/dbraw/zinc/26/56/14/484265614.db2.gz ZJSFIWPIROECCP-GFCCVEGCSA-N -1 0 374.459 -0.017 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)CC1 ZINC000647509275 484264644 /nfs/dbraw/zinc/26/46/44/484264644.db2.gz ZJSFIWPIROECCP-LBPRGKRZSA-N -1 0 374.459 -0.017 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCc2cn3ccccc3n2)CCOCC1 ZINC000647578702 484320138 /nfs/dbraw/zinc/32/01/38/484320138.db2.gz VHUMXDDKHGPNKW-UHFFFAOYSA-N -1 0 360.370 -0.052 20 0 FBADRM COc1ccc(CNC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)cn1 ZINC000647579136 484320180 /nfs/dbraw/zinc/32/01/80/484320180.db2.gz FKVXIWBMSXGHNJ-UHFFFAOYSA-N -1 0 351.359 -0.296 20 0 FBADRM COc1cc(CNC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)ccn1 ZINC000647579152 484320251 /nfs/dbraw/zinc/32/02/51/484320251.db2.gz FRWSOQBLQQHEBB-UHFFFAOYSA-N -1 0 351.359 -0.296 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCc2cn3ccccc3n2)CCOCC1 ZINC000647579390 484319609 /nfs/dbraw/zinc/31/96/09/484319609.db2.gz QJZXARPURRSSEK-UHFFFAOYSA-N -1 0 374.397 -0.009 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCCNC(=O)c2cccs2)C1 ZINC000647579425 484320366 /nfs/dbraw/zinc/32/03/66/484320366.db2.gz SVERECYMBWSOMF-ZJUUUORDSA-N -1 0 353.400 -0.036 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCOCC(F)(F)F)CCOCC1 ZINC000647579435 484319971 /nfs/dbraw/zinc/31/99/71/484319971.db2.gz UAYUMURXIWDZCB-UHFFFAOYSA-N -1 0 356.297 -0.321 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCCCC(=O)[O-])cc1 ZINC000647579439 484320000 /nfs/dbraw/zinc/32/00/00/484320000.db2.gz UHHPDXGOFXIPMP-UHFFFAOYSA-N -1 0 371.415 -0.667 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCCOC[C@H]2CCCO2)CCOCC1 ZINC000647579446 484320345 /nfs/dbraw/zinc/32/03/45/484320345.db2.gz UPAFEIWXRIIQPQ-CYBMUJFWSA-N -1 0 372.418 -0.314 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCCOC[C@@H]2CCCO2)CCOCC1 ZINC000647579447 484320477 /nfs/dbraw/zinc/32/04/77/484320477.db2.gz UPAFEIWXRIIQPQ-ZDUSSCGKSA-N -1 0 372.418 -0.314 20 0 FBADRM COc1ncccc1CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647579860 484320563 /nfs/dbraw/zinc/32/05/63/484320563.db2.gz QFRHHDZQWTYSLB-UHFFFAOYSA-N -1 0 351.359 -0.296 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCC(=O)N2CCCCC2)CCOCC1 ZINC000647579974 484320463 /nfs/dbraw/zinc/32/04/63/484320463.db2.gz YCAQCPONXQVEBQ-UHFFFAOYSA-N -1 0 369.418 -0.497 20 0 FBADRM CN(C)c1ccc(CNC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)cn1 ZINC000647580264 484320592 /nfs/dbraw/zinc/32/05/92/484320592.db2.gz GICUYBJHAGXQSD-UHFFFAOYSA-N -1 0 364.402 -0.239 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)NCCNC(=O)c2cccnc2)CC1 ZINC000647580560 484319963 /nfs/dbraw/zinc/31/99/63/484319963.db2.gz TUWUXGCRVXVKDQ-UHFFFAOYSA-N -1 0 362.386 -0.359 20 0 FBADRM CN(C)c1ncccc1CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647580609 484320032 /nfs/dbraw/zinc/32/00/32/484320032.db2.gz WCLYLZIZPXKDMO-UHFFFAOYSA-N -1 0 364.402 -0.239 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCC(=O)N2CCCCC2)CCOCC1 ZINC000647580642 484319991 /nfs/dbraw/zinc/31/99/91/484319991.db2.gz XRDGLFJTLMYGNU-UHFFFAOYSA-N -1 0 355.391 -0.887 20 0 FBADRM CC[C@@H](C)NC(=O)CCNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647580874 484319912 /nfs/dbraw/zinc/31/99/12/484319912.db2.gz ANDBEEIGYJEKPF-LLVKDONJSA-N -1 0 357.407 -0.595 20 0 FBADRM CC[C@H](C)NC(=O)CCNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647580875 484319980 /nfs/dbraw/zinc/31/99/80/484319980.db2.gz ANDBEEIGYJEKPF-NSHDSACASA-N -1 0 357.407 -0.595 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCCS(=O)(=O)c2ccccc2)C1 ZINC000647580903 484319923 /nfs/dbraw/zinc/31/99/23/484319923.db2.gz CHICWGOSVAVGFY-NEPJUHHUSA-N -1 0 368.411 -0.054 20 0 FBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647580950 484320017 /nfs/dbraw/zinc/32/00/17/484320017.db2.gz FJZUZOHNFXBZSU-VHSXEESVSA-N -1 0 363.436 -0.810 20 0 FBADRM CN(CCCNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)S(C)(=O)=O ZINC000647581103 484320092 /nfs/dbraw/zinc/32/00/92/484320092.db2.gz NXOTWIUYMKWPRS-UHFFFAOYSA-N -1 0 363.436 -0.903 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647581142 484319825 /nfs/dbraw/zinc/31/98/25/484319825.db2.gz PNUUTBQIJMWHBI-WDEREUQCSA-N -1 0 363.436 -0.856 20 0 FBADRM CCN(CCCNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000647581187 484320096 /nfs/dbraw/zinc/32/00/96/484320096.db2.gz RTTDTLXIJXCBPH-WDEREUQCSA-N -1 0 363.436 -0.856 20 0 FBADRM CCN(CC)C(=O)CCCNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647581195 484320374 /nfs/dbraw/zinc/32/03/74/484320374.db2.gz RYULBZQYSIGBKF-UHFFFAOYSA-N -1 0 371.434 -0.251 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCCNc2ccccn2)CCOCC1 ZINC000647581297 484320439 /nfs/dbraw/zinc/32/04/39/484320439.db2.gz XKTJMMUKWLRDDP-UHFFFAOYSA-N -1 0 364.402 -0.003 20 0 FBADRM Cc1nccn1C[C@H](C)CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647581305 484320508 /nfs/dbraw/zinc/32/05/08/484320508.db2.gz XROKWIYTNZRNGZ-GFCCVEGCSA-N -1 0 366.418 -0.059 20 0 FBADRM Cc1nccn1C[C@@H](C)CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647581306 484320272 /nfs/dbraw/zinc/32/02/72/484320272.db2.gz XROKWIYTNZRNGZ-LBPRGKRZSA-N -1 0 366.418 -0.059 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000647581314 484319853 /nfs/dbraw/zinc/31/98/53/484319853.db2.gz YAANCXBXSCVQMU-AGIUHOORSA-N -1 0 361.402 -0.069 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000647581315 484319943 /nfs/dbraw/zinc/31/99/43/484319943.db2.gz YAANCXBXSCVQMU-FRRDWIJNSA-N -1 0 361.402 -0.069 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1)Cn1cccn1 ZINC000647581318 484320053 /nfs/dbraw/zinc/32/00/53/484320053.db2.gz YBUCBWQYHGKUDU-GFCCVEGCSA-N -1 0 352.391 -0.367 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1)Cn1cccn1 ZINC000647581319 484320627 /nfs/dbraw/zinc/32/06/27/484320627.db2.gz YBUCBWQYHGKUDU-LBPRGKRZSA-N -1 0 352.391 -0.367 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)C1 ZINC000647581478 484320425 /nfs/dbraw/zinc/32/04/25/484320425.db2.gz ABWDNRIEUDOHFR-MNOVXSKESA-N -1 0 373.365 -0.232 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCOC[C@H]2CCCO2)CCOCC1 ZINC000647581509 484320315 /nfs/dbraw/zinc/32/03/15/484320315.db2.gz BYXKZCFSXVPFAU-GFCCVEGCSA-N -1 0 358.391 -0.704 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCOC[C@@H]2CCCO2)CCOCC1 ZINC000647581510 484320187 /nfs/dbraw/zinc/32/01/87/484320187.db2.gz BYXKZCFSXVPFAU-LBPRGKRZSA-N -1 0 358.391 -0.704 20 0 FBADRM NC(=O)COc1cccc(CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000647581633 484319864 /nfs/dbraw/zinc/31/98/64/484319864.db2.gz IGHYKMSBEGWFBT-NWDGAFQWSA-N -1 0 363.370 -0.464 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647582402 484320156 /nfs/dbraw/zinc/32/01/56/484320156.db2.gz AAKABQJRTLFSNJ-UHFFFAOYSA-N -1 0 363.436 -0.856 20 0 FBADRM CC(C)N1C[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)CC1=O ZINC000647582476 484320457 /nfs/dbraw/zinc/32/04/57/484320457.db2.gz CYCFDSOIIIPYRQ-LLVKDONJSA-N -1 0 355.391 -0.891 20 0 FBADRM CC(C)N1C[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)CC1=O ZINC000647582477 484319952 /nfs/dbraw/zinc/31/99/52/484319952.db2.gz CYCFDSOIIIPYRQ-NSHDSACASA-N -1 0 355.391 -0.891 20 0 FBADRM COc1cccc(CNC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)n1 ZINC000647582489 484320163 /nfs/dbraw/zinc/32/01/63/484320163.db2.gz DNKBMJWHCKVQGP-UHFFFAOYSA-N -1 0 351.359 -0.296 20 0 FBADRM CC(C)(C)C(=O)NCCNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647582628 484320579 /nfs/dbraw/zinc/32/05/79/484320579.db2.gz LLJSZKYNMRAMDY-UHFFFAOYSA-N -1 0 357.407 -0.738 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000647583265 484320322 /nfs/dbraw/zinc/32/03/22/484320322.db2.gz LNOYISWJIYMZQJ-LLVKDONJSA-N -1 0 362.386 -0.539 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000647583266 484319589 /nfs/dbraw/zinc/31/95/89/484319589.db2.gz LNOYISWJIYMZQJ-NSHDSACASA-N -1 0 362.386 -0.539 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCCN2CCCCC2=O)CCOCC1 ZINC000647583344 484320008 /nfs/dbraw/zinc/32/00/08/484320008.db2.gz OQCGFJYNMKDSLT-UHFFFAOYSA-N -1 0 369.418 -0.497 20 0 FBADRM CC(C)(C)NC(=O)CCNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647583365 484320045 /nfs/dbraw/zinc/32/00/45/484320045.db2.gz QLLDUEITGACIGR-UHFFFAOYSA-N -1 0 357.407 -0.595 20 0 FBADRM CN(c1ccc(CNC(=O)C(=O)NCCCC(=O)[O-])cc1)S(C)(=O)=O ZINC000647583468 484320230 /nfs/dbraw/zinc/32/02/30/484320230.db2.gz UVOSXFWOBXNQQU-UHFFFAOYSA-N -1 0 371.415 -0.320 20 0 FBADRM CN(C)c1ncc(CNC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)n1C ZINC000647583536 484320351 /nfs/dbraw/zinc/32/03/51/484320351.db2.gz XEXJMCZJEBRVHQ-UHFFFAOYSA-N -1 0 351.407 -0.184 20 0 FBADRM CC(C)(CNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)NS(C)(=O)=O ZINC000647583706 484319934 /nfs/dbraw/zinc/31/99/34/484319934.db2.gz ACPWKFOREUNRQO-UHFFFAOYSA-N -1 0 363.436 -0.856 20 0 FBADRM CC(=O)N1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000647584035 484320087 /nfs/dbraw/zinc/32/00/87/484320087.db2.gz PNTRZKZNKCJADP-BNOWGMLFSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(=O)N1CCC[C@H](CNC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000647584036 484320328 /nfs/dbraw/zinc/32/03/28/484320328.db2.gz PNTRZKZNKCJADP-IACUBPJLSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(=O)N1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000647584037 484320610 /nfs/dbraw/zinc/32/06/10/484320610.db2.gz PNTRZKZNKCJADP-MRVWCRGKSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(=O)N1CCC[C@H](CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000647584038 484320129 /nfs/dbraw/zinc/32/01/29/484320129.db2.gz PNTRZKZNKCJADP-YUTCNCBUSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(C)N1CC[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)C1=O ZINC000647584045 484319645 /nfs/dbraw/zinc/31/96/45/484319645.db2.gz PYUGIVGZFFYMKS-LLVKDONJSA-N -1 0 355.391 -0.891 20 0 FBADRM CC(C)N1CC[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)C1=O ZINC000647584046 484320640 /nfs/dbraw/zinc/32/06/40/484320640.db2.gz PYUGIVGZFFYMKS-NSHDSACASA-N -1 0 355.391 -0.891 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000647584171 484320026 /nfs/dbraw/zinc/32/00/26/484320026.db2.gz VLEMQLMPWURMFY-HRDYMLBCSA-N -1 0 365.308 -0.365 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000647584172 484319664 /nfs/dbraw/zinc/31/96/64/484319664.db2.gz VLEMQLMPWURMFY-VGMNWLOBSA-N -1 0 365.308 -0.365 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)C2=O)cn1 ZINC000647584662 484320285 /nfs/dbraw/zinc/32/02/85/484320285.db2.gz LPEKAQNDSNGVIW-HOSYDEDBSA-N -1 0 363.374 -0.989 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)C2=O)cn1 ZINC000647584663 484319877 /nfs/dbraw/zinc/31/98/77/484319877.db2.gz LPEKAQNDSNGVIW-UMNHJUIQSA-N -1 0 363.374 -0.989 20 0 FBADRM CC1(C)[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)[C@H]2CCO[C@H]21 ZINC000647584754 484320533 /nfs/dbraw/zinc/32/05/33/484320533.db2.gz OWHMYNCMVGDWLZ-IJLUTSLNSA-N -1 0 354.403 -0.086 20 0 FBADRM CC1(C)[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)[C@@H]2CCO[C@H]21 ZINC000647584755 484319629 /nfs/dbraw/zinc/31/96/29/484319629.db2.gz OWHMYNCMVGDWLZ-QJPTWQEYSA-N -1 0 354.403 -0.086 20 0 FBADRM CC1(C)[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)[C@@H]2CCO[C@@H]21 ZINC000647584756 484320245 /nfs/dbraw/zinc/32/02/45/484320245.db2.gz OWHMYNCMVGDWLZ-TUAOUCFPSA-N -1 0 354.403 -0.086 20 0 FBADRM CC1(C)[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)[C@H]2CCO[C@@H]21 ZINC000647584757 484320524 /nfs/dbraw/zinc/32/05/24/484320524.db2.gz OWHMYNCMVGDWLZ-UTUOFQBUSA-N -1 0 354.403 -0.086 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)C2)cn1 ZINC000647584880 484320335 /nfs/dbraw/zinc/32/03/35/484320335.db2.gz UKPBAUWQSRIPEW-XQQFMLRXSA-N -1 0 363.418 -0.125 20 0 FBADRM Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)C2)cn1 ZINC000647584881 484320078 /nfs/dbraw/zinc/32/00/78/484320078.db2.gz UKPBAUWQSRIPEW-YNEHKIRRSA-N -1 0 363.418 -0.125 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCc2ccn3ccnc3c2)CCOCC1 ZINC000647585024 484320663 /nfs/dbraw/zinc/32/06/63/484320663.db2.gz ZYWKSLZOWRLCKG-UHFFFAOYSA-N -1 0 360.370 -0.052 20 0 FBADRM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000647585228 484319839 /nfs/dbraw/zinc/31/98/39/484319839.db2.gz IIAKWXVTODBQHS-IRCOFANPSA-N -1 0 360.432 -0.172 20 0 FBADRM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000647585229 484321845 /nfs/dbraw/zinc/32/18/45/484321845.db2.gz IIAKWXVTODBQHS-NNYUYHANSA-N -1 0 360.432 -0.172 20 0 FBADRM CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000647585230 484321209 /nfs/dbraw/zinc/32/12/09/484321209.db2.gz IIAKWXVTODBQHS-QCNOEVLYSA-N -1 0 360.432 -0.172 20 0 FBADRM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000647585231 484321488 /nfs/dbraw/zinc/32/14/88/484321488.db2.gz IIAKWXVTODBQHS-YFKTTZPYSA-N -1 0 360.432 -0.172 20 0 FBADRM CC[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000647585982 484321350 /nfs/dbraw/zinc/32/13/50/484321350.db2.gz IDLGMTBFUFRDOA-QJPTWQEYSA-N -1 0 355.391 -0.891 20 0 FBADRM CC[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000647585983 484321592 /nfs/dbraw/zinc/32/15/92/484321592.db2.gz IDLGMTBFUFRDOA-TUAOUCFPSA-N -1 0 355.391 -0.891 20 0 FBADRM CC[C@@H](NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)C(=O)N1CCOCC1 ZINC000647586009 484321762 /nfs/dbraw/zinc/32/17/62/484321762.db2.gz JNPDIZCEEXUSBI-GFCCVEGCSA-N -1 0 369.418 -0.547 20 0 FBADRM CC[C@H](NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)C(=O)N1CCOCC1 ZINC000647586010 484321501 /nfs/dbraw/zinc/32/15/01/484321501.db2.gz JNPDIZCEEXUSBI-LBPRGKRZSA-N -1 0 369.418 -0.547 20 0 FBADRM Cn1cc(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)nn1 ZINC000647586148 484321342 /nfs/dbraw/zinc/32/13/42/484321342.db2.gz PPAREHJUQZEKDS-KGLIPLIRSA-N -1 0 357.370 -0.242 20 0 FBADRM COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647586174 484321425 /nfs/dbraw/zinc/32/14/25/484321425.db2.gz QPRLXLITNAMCGY-LOWDOPEQSA-N -1 0 358.391 -0.707 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647586175 484321692 /nfs/dbraw/zinc/32/16/92/484321692.db2.gz QPRLXLITNAMCGY-QNWHQSFQSA-N -1 0 358.391 -0.707 20 0 FBADRM COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647586176 484321892 /nfs/dbraw/zinc/32/18/92/484321892.db2.gz QPRLXLITNAMCGY-RNJOBUHISA-N -1 0 358.391 -0.707 20 0 FBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647586177 484321563 /nfs/dbraw/zinc/32/15/63/484321563.db2.gz QPRLXLITNAMCGY-UMSGYPCISA-N -1 0 358.391 -0.707 20 0 FBADRM Cn1cnc(CCNC(=O)C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)n1 ZINC000647586217 484321596 /nfs/dbraw/zinc/32/15/96/484321596.db2.gz SEGDTAKCXUQKHE-KGLIPLIRSA-N -1 0 371.397 -0.199 20 0 FBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647586241 484321401 /nfs/dbraw/zinc/32/14/01/484321401.db2.gz UOJNOJDLIBCWCX-CHWSQXEVSA-N -1 0 372.418 -0.364 20 0 FBADRM COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647586242 484321409 /nfs/dbraw/zinc/32/14/09/484321409.db2.gz UOJNOJDLIBCWCX-OLZOCXBDSA-N -1 0 372.418 -0.364 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647586243 484321291 /nfs/dbraw/zinc/32/12/91/484321291.db2.gz UOJNOJDLIBCWCX-QWHCGFSZSA-N -1 0 372.418 -0.364 20 0 FBADRM COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647586244 484321126 /nfs/dbraw/zinc/32/11/26/484321126.db2.gz UOJNOJDLIBCWCX-STQMWFEESA-N -1 0 372.418 -0.364 20 0 FBADRM CN(C)c1cccc(CNC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)n1 ZINC000647586762 484321218 /nfs/dbraw/zinc/32/12/18/484321218.db2.gz KXQWHCJXVMBNTB-UHFFFAOYSA-N -1 0 364.402 -0.239 20 0 FBADRM COCCn1cc(CNC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)cn1 ZINC000647586967 484321855 /nfs/dbraw/zinc/32/18/55/484321855.db2.gz UGXAERYCSONAGF-UHFFFAOYSA-N -1 0 352.391 -0.141 20 0 FBADRM CCNC(=O)C(C)(C)CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647586982 484321247 /nfs/dbraw/zinc/32/12/47/484321247.db2.gz UYAZFFGNWXXQSN-UHFFFAOYSA-N -1 0 357.407 -0.738 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)NCCS(=O)(=O)c1ccc(F)cc1 ZINC000647587042 484321381 /nfs/dbraw/zinc/32/13/81/484321381.db2.gz WQPOQBNYDQLBQC-UHFFFAOYSA-N -1 0 360.363 -0.303 20 0 FBADRM CCNC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C1 ZINC000647587313 484321951 /nfs/dbraw/zinc/32/19/51/484321951.db2.gz FVOSXANHDYZWKY-LLVKDONJSA-N -1 0 354.407 -0.380 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C1 ZINC000647587314 484321259 /nfs/dbraw/zinc/32/12/59/484321259.db2.gz FVOSXANHDYZWKY-NSHDSACASA-N -1 0 354.407 -0.380 20 0 FBADRM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)CC1=O ZINC000647587362 484321585 /nfs/dbraw/zinc/32/15/85/484321585.db2.gz HHNKURKXZMAAIP-GRYCIOLGSA-N -1 0 367.402 -0.891 20 0 FBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)CC1=O ZINC000647587363 484321116 /nfs/dbraw/zinc/32/11/16/484321116.db2.gz HHNKURKXZMAAIP-IJLUTSLNSA-N -1 0 367.402 -0.891 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)CC1=O ZINC000647587364 484321518 /nfs/dbraw/zinc/32/15/18/484321518.db2.gz HHNKURKXZMAAIP-UTUOFQBUSA-N -1 0 367.402 -0.891 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)CC1=O ZINC000647587365 484321317 /nfs/dbraw/zinc/32/13/17/484321317.db2.gz HHNKURKXZMAAIP-WOPDTQHZSA-N -1 0 367.402 -0.891 20 0 FBADRM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC1=O ZINC000647587501 484321465 /nfs/dbraw/zinc/32/14/65/484321465.db2.gz MJKRHKFVMZOHTF-GRYCIOLGSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC1=O ZINC000647587502 484321478 /nfs/dbraw/zinc/32/14/78/484321478.db2.gz MJKRHKFVMZOHTF-IJLUTSLNSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC1=O ZINC000647587503 484321188 /nfs/dbraw/zinc/32/11/88/484321188.db2.gz MJKRHKFVMZOHTF-UTUOFQBUSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC1=O ZINC000647587504 484321432 /nfs/dbraw/zinc/32/14/32/484321432.db2.gz MJKRHKFVMZOHTF-WOPDTQHZSA-N -1 0 351.403 -0.175 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CC2)CC1 ZINC000647587586 484321541 /nfs/dbraw/zinc/32/15/41/484321541.db2.gz OYWHLWSTMJMOHQ-UHFFFAOYSA-N -1 0 360.432 -0.359 20 0 FBADRM COC[C@@H](NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1)[C@@H]1CCCO1 ZINC000647587643 484321677 /nfs/dbraw/zinc/32/16/77/484321677.db2.gz QZBBEYNNOOAQLZ-NEPJUHHUSA-N -1 0 358.391 -0.706 20 0 FBADRM COC[C@H](NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1)[C@H]1CCCO1 ZINC000647587644 484321356 /nfs/dbraw/zinc/32/13/56/484321356.db2.gz QZBBEYNNOOAQLZ-NWDGAFQWSA-N -1 0 358.391 -0.706 20 0 FBADRM COC[C@H](NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1)[C@@H]1CCCO1 ZINC000647587645 484321535 /nfs/dbraw/zinc/32/15/35/484321535.db2.gz QZBBEYNNOOAQLZ-RYUDHWBXSA-N -1 0 358.391 -0.706 20 0 FBADRM COC[C@@H](NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1)[C@H]1CCCO1 ZINC000647587646 484321958 /nfs/dbraw/zinc/32/19/58/484321958.db2.gz QZBBEYNNOOAQLZ-VXGBXAGGSA-N -1 0 358.391 -0.706 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CC2)C[C@H]1C(=O)[O-] ZINC000647587711 484321439 /nfs/dbraw/zinc/32/14/39/484321439.db2.gz SOTBEOJVPIVIBO-GHMZBOCLSA-N -1 0 360.432 -0.503 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CC2)C[C@@H]1C(=O)[O-] ZINC000647587712 484321437 /nfs/dbraw/zinc/32/14/37/484321437.db2.gz SOTBEOJVPIVIBO-MNOVXSKESA-N -1 0 360.432 -0.503 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CC2)C[C@@H]1C(=O)[O-] ZINC000647587713 484321863 /nfs/dbraw/zinc/32/18/63/484321863.db2.gz SOTBEOJVPIVIBO-QWRGUYRKSA-N -1 0 360.432 -0.503 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CC2)C[C@H]1C(=O)[O-] ZINC000647587714 484321414 /nfs/dbraw/zinc/32/14/14/484321414.db2.gz SOTBEOJVPIVIBO-WDEREUQCSA-N -1 0 360.432 -0.503 20 0 FBADRM CC(C)(C)N1C[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)CC1=O ZINC000647587836 484321444 /nfs/dbraw/zinc/32/14/44/484321444.db2.gz XSPDVQWTRSWYCF-LLVKDONJSA-N -1 0 369.418 -0.500 20 0 FBADRM CC(C)(C)N1C[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)CC1=O ZINC000647587837 484321880 /nfs/dbraw/zinc/32/18/80/484321880.db2.gz XSPDVQWTRSWYCF-NSHDSACASA-N -1 0 369.418 -0.500 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCOc2ncccc2F)CCOCC1 ZINC000647587859 484321473 /nfs/dbraw/zinc/32/14/73/484321473.db2.gz YFWQLBKZPGYZNX-UHFFFAOYSA-N -1 0 369.349 -0.287 20 0 FBADRM CCNC(=O)C1(CNC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)CCC1 ZINC000647588017 484321668 /nfs/dbraw/zinc/32/16/68/484321668.db2.gz BRAUXENVQDOMNS-UHFFFAOYSA-N -1 0 369.418 -0.593 20 0 FBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)O1 ZINC000647588124 484321376 /nfs/dbraw/zinc/32/13/76/484321376.db2.gz GUQFDQADVYLFCK-IRCOFANPSA-N -1 0 355.391 -0.892 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)O1 ZINC000647588125 484321513 /nfs/dbraw/zinc/32/15/13/484321513.db2.gz GUQFDQADVYLFCK-QCNOEVLYSA-N -1 0 355.391 -0.892 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)O1 ZINC000647588126 484321196 /nfs/dbraw/zinc/32/11/96/484321196.db2.gz GUQFDQADVYLFCK-USZNOCQGSA-N -1 0 355.391 -0.892 20 0 FBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)O1 ZINC000647588127 484321622 /nfs/dbraw/zinc/32/16/22/484321622.db2.gz GUQFDQADVYLFCK-WHOHXGKFSA-N -1 0 355.391 -0.892 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)O1 ZINC000647588183 484321143 /nfs/dbraw/zinc/32/11/43/484321143.db2.gz JNZUHDGLGRBESX-NEPJUHHUSA-N -1 0 369.418 -0.548 20 0 FBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)O1 ZINC000647588184 484321874 /nfs/dbraw/zinc/32/18/74/484321874.db2.gz JNZUHDGLGRBESX-NWDGAFQWSA-N -1 0 369.418 -0.548 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)O1 ZINC000647588185 484321942 /nfs/dbraw/zinc/32/19/42/484321942.db2.gz JNZUHDGLGRBESX-RYUDHWBXSA-N -1 0 369.418 -0.548 20 0 FBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)O1 ZINC000647588186 484321456 /nfs/dbraw/zinc/32/14/56/484321456.db2.gz JNZUHDGLGRBESX-VXGBXAGGSA-N -1 0 369.418 -0.548 20 0 FBADRM CCc1nn(C)c(OC)c1CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647588197 484321755 /nfs/dbraw/zinc/32/17/55/484321755.db2.gz JWCHMCBXUFWLBX-VHSXEESVSA-N -1 0 352.391 -0.023 20 0 FBADRM CCO[C@@H]1C[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)[C@H]1OC ZINC000647588239 484321100 /nfs/dbraw/zinc/32/11/00/484321100.db2.gz LFSWWCJFLKVSRR-IJLUTSLNSA-N -1 0 358.391 -0.707 20 0 FBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)[C@H]1OC ZINC000647588240 484321819 /nfs/dbraw/zinc/32/18/19/484321819.db2.gz LFSWWCJFLKVSRR-QJPTWQEYSA-N -1 0 358.391 -0.707 20 0 FBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)[C@@H]1OC ZINC000647588241 484321302 /nfs/dbraw/zinc/32/13/02/484321302.db2.gz LFSWWCJFLKVSRR-TUAOUCFPSA-N -1 0 358.391 -0.707 20 0 FBADRM CCO[C@@H]1C[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)[C@@H]1OC ZINC000647588242 484321362 /nfs/dbraw/zinc/32/13/62/484321362.db2.gz LFSWWCJFLKVSRR-UTUOFQBUSA-N -1 0 358.391 -0.707 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@H]2CCCCS2(=O)=O)CC1 ZINC000647588281 484321685 /nfs/dbraw/zinc/32/16/85/484321685.db2.gz MNMUFIKCSKWVLY-LLVKDONJSA-N -1 0 360.432 -0.217 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@H]2CCCCS2(=O)=O)CC1 ZINC000647588282 484321449 /nfs/dbraw/zinc/32/14/49/484321449.db2.gz MNMUFIKCSKWVLY-NSHDSACASA-N -1 0 360.432 -0.217 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccc3c(c2)C(=O)NCC3)C1 ZINC000647588291 484321368 /nfs/dbraw/zinc/32/13/68/484321368.db2.gz MXHJFJOFHXDHTO-OLZOCXBDSA-N -1 0 359.382 -0.042 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)NCc2nnnn2CC2CC2)CC1 ZINC000647588311 484321578 /nfs/dbraw/zinc/32/15/78/484321578.db2.gz OLJCCBFQUVFLTB-UHFFFAOYSA-N -1 0 350.379 -0.587 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@H]2C[C@H]3CCCCN3C2=O)CCOCC1 ZINC000647588852 484321239 /nfs/dbraw/zinc/32/12/39/484321239.db2.gz LKBUFRLWUZPNEP-NEPJUHHUSA-N -1 0 367.402 -0.746 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)CCOCC1 ZINC000647588853 484321968 /nfs/dbraw/zinc/32/19/68/484321968.db2.gz LKBUFRLWUZPNEP-NWDGAFQWSA-N -1 0 367.402 -0.746 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)CCOCC1 ZINC000647588854 484321311 /nfs/dbraw/zinc/32/13/11/484321311.db2.gz LKBUFRLWUZPNEP-RYUDHWBXSA-N -1 0 367.402 -0.746 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)CCOCC1 ZINC000647588855 484321911 /nfs/dbraw/zinc/32/19/11/484321911.db2.gz LKBUFRLWUZPNEP-VXGBXAGGSA-N -1 0 367.402 -0.746 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCc2nc(-c3ccccn3)n[nH]2)C1 ZINC000647588859 484321226 /nfs/dbraw/zinc/32/12/26/484321226.db2.gz LTLVNDKPNCXBIU-ZJUUUORDSA-N -1 0 358.358 -0.148 20 0 FBADRM Cc1ccc(CNC(=O)C(=O)NCCCC(=O)[O-])cc1S(C)(=O)=O ZINC000647588912 484321177 /nfs/dbraw/zinc/32/11/77/484321177.db2.gz NKPUHUAFSPZBSL-UHFFFAOYSA-N -1 0 356.400 -0.004 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2C[C@H]3CCCCN3C2=O)CC1 ZINC000647589086 484321768 /nfs/dbraw/zinc/32/17/68/484321768.db2.gz WWLZKHVWMJQMOX-NEPJUHHUSA-N -1 0 351.403 -0.031 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)CC1 ZINC000647589087 484321387 /nfs/dbraw/zinc/32/13/87/484321387.db2.gz WWLZKHVWMJQMOX-NWDGAFQWSA-N -1 0 351.403 -0.031 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)CC1 ZINC000647589088 484321151 /nfs/dbraw/zinc/32/11/51/484321151.db2.gz WWLZKHVWMJQMOX-RYUDHWBXSA-N -1 0 351.403 -0.031 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)CC1 ZINC000647589089 484321297 /nfs/dbraw/zinc/32/12/97/484321297.db2.gz WWLZKHVWMJQMOX-VXGBXAGGSA-N -1 0 351.403 -0.031 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)NCC2(S(C)(=O)=O)CCC2)CC1 ZINC000647589138 484321778 /nfs/dbraw/zinc/32/17/78/484321778.db2.gz ZSSAVKPKKXVKJH-UHFFFAOYSA-N -1 0 360.432 -0.217 20 0 FBADRM CS(=O)(=O)CC1(CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CCC1 ZINC000647589320 484321900 /nfs/dbraw/zinc/32/19/00/484321900.db2.gz FOFFMEFYUDYAKF-WDEREUQCSA-N -1 0 360.432 -0.313 20 0 FBADRM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000647589378 484321265 /nfs/dbraw/zinc/32/12/65/484321265.db2.gz JABYGTSXYWKCFR-GFCCVEGCSA-N -1 0 353.297 -0.506 20 0 FBADRM CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C(=O)NCCCC(=O)[O-])C1 ZINC000647589379 484321324 /nfs/dbraw/zinc/32/13/24/484321324.db2.gz JABYGTSXYWKCFR-LBPRGKRZSA-N -1 0 353.297 -0.506 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@H]2CSc3ccccc3O2)CCO1 ZINC000647589562 484322872 /nfs/dbraw/zinc/32/28/72/484322872.db2.gz RFEOSDUSOPUAEC-CMPLNLGQSA-N -1 0 366.395 -0.032 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSc3ccccc3O2)CCO1 ZINC000647589563 484323368 /nfs/dbraw/zinc/32/33/68/484323368.db2.gz RFEOSDUSOPUAEC-JQWIXIFHSA-N -1 0 366.395 -0.032 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSc3ccccc3O2)CCO1 ZINC000647589564 484322828 /nfs/dbraw/zinc/32/28/28/484322828.db2.gz RFEOSDUSOPUAEC-PWSUYJOCSA-N -1 0 366.395 -0.032 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@H]2CSc3ccccc3O2)CCO1 ZINC000647589565 484323320 /nfs/dbraw/zinc/32/33/20/484323320.db2.gz RFEOSDUSOPUAEC-ZYHUDNBSSA-N -1 0 366.395 -0.032 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)OC(F)(F)O3)CCO1 ZINC000647589926 484323337 /nfs/dbraw/zinc/32/33/37/484323337.db2.gz MTHKGWHKLUILQM-LLVKDONJSA-N -1 0 372.280 -0.064 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)OC(F)(F)O3)CCO1 ZINC000647589927 484322485 /nfs/dbraw/zinc/32/24/85/484322485.db2.gz MTHKGWHKLUILQM-NSHDSACASA-N -1 0 372.280 -0.064 20 0 FBADRM COCCN(Cc1c(C)nn(C)c1C)C(=O)C(=O)NCCCC(=O)[O-] ZINC000647590335 484323267 /nfs/dbraw/zinc/32/32/67/484323267.db2.gz IJYBYBAWVSORFR-UHFFFAOYSA-N -1 0 354.407 -0.007 20 0 FBADRM CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)C1=O ZINC000647590345 484322471 /nfs/dbraw/zinc/32/24/71/484322471.db2.gz IWUCKRAUMGHXOO-LLVKDONJSA-N -1 0 369.418 -0.500 20 0 FBADRM CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)C1=O ZINC000647590346 484323065 /nfs/dbraw/zinc/32/30/65/484323065.db2.gz IWUCKRAUMGHXOO-NSHDSACASA-N -1 0 369.418 -0.500 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](N3CCCC3=O)C2)C1 ZINC000647590735 484323736 /nfs/dbraw/zinc/32/37/36/484323736.db2.gz BAIRHNHQJJHIIX-AGIUHOORSA-N -1 0 351.403 -0.031 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](N3CCCC3=O)C2)C1 ZINC000647590736 484322527 /nfs/dbraw/zinc/32/25/27/484322527.db2.gz BAIRHNHQJJHIIX-FRRDWIJNSA-N -1 0 351.403 -0.031 20 0 FBADRM CN1CCC2(CCN(C(=O)C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)CC2)C1=O ZINC000647590857 484323678 /nfs/dbraw/zinc/32/36/78/484323678.db2.gz FNOIXGIGYMJXCG-NWDGAFQWSA-N -1 0 351.403 -0.173 20 0 FBADRM CCN(CC)C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000647591098 484323347 /nfs/dbraw/zinc/32/33/47/484323347.db2.gz NHFCZFHNWUARGO-QWHCGFSZSA-N -1 0 368.434 -0.038 20 0 FBADRM CS(=O)(=O)[C@@H]1CCCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000647591116 484323278 /nfs/dbraw/zinc/32/32/78/484323278.db2.gz NZQHDWHFDOLTTF-QJPTWQEYSA-N -1 0 360.432 -0.218 20 0 FBADRM CS(=O)(=O)[C@H]1CCCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000647591117 484323125 /nfs/dbraw/zinc/32/31/25/484323125.db2.gz NZQHDWHFDOLTTF-TUAOUCFPSA-N -1 0 360.432 -0.218 20 0 FBADRM CCCN(C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000647591256 484323453 /nfs/dbraw/zinc/32/34/53/484323453.db2.gz SDCZLOXHABIERZ-QJPTWQEYSA-N -1 0 360.432 -0.218 20 0 FBADRM CCCN(C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000647591257 484323727 /nfs/dbraw/zinc/32/37/27/484323727.db2.gz SDCZLOXHABIERZ-TUAOUCFPSA-N -1 0 360.432 -0.218 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)C1 ZINC000647591699 484322455 /nfs/dbraw/zinc/32/24/55/484322455.db2.gz HLLAJHCNYSSETN-OLZOCXBDSA-N -1 0 366.418 -0.284 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000647591959 484323290 /nfs/dbraw/zinc/32/32/90/484323290.db2.gz PRUJATQZBXVTCE-SFYZADRCSA-N -1 0 351.281 -0.454 20 0 FBADRM Cc1nccnc1N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000647592013 484323071 /nfs/dbraw/zinc/32/30/71/484323071.db2.gz RBRCPXYHOUSIEL-QWHCGFSZSA-N -1 0 361.402 -0.197 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC(N3CCCNC3=O)CC2)C1 ZINC000647592038 484323341 /nfs/dbraw/zinc/32/33/41/484323341.db2.gz SCSIFVIYYNCWIW-NEPJUHHUSA-N -1 0 366.418 -0.238 20 0 FBADRM CC(C)OCCN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000647592133 484322777 /nfs/dbraw/zinc/32/27/77/484322777.db2.gz UWKFDHXPJRVLTO-UONOGXRCSA-N -1 0 355.435 -0.075 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000647592168 484323703 /nfs/dbraw/zinc/32/37/03/484323703.db2.gz WDQKAXHCJPGPIH-OLZOCXBDSA-N -1 0 374.397 -0.265 20 0 FBADRM COCCO[C@H]1C[C@H](CO)CN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000647592242 484323246 /nfs/dbraw/zinc/32/32/46/484323246.db2.gz YQWLPNXDJYLGRB-FQUUOJAGSA-N -1 0 372.418 -0.772 20 0 FBADRM COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000647592243 484323631 /nfs/dbraw/zinc/32/36/31/484323631.db2.gz YQWLPNXDJYLGRB-IGQOVBAYSA-N -1 0 372.418 -0.772 20 0 FBADRM COCCO[C@H]1C[C@@H](CO)CN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000647592244 484323237 /nfs/dbraw/zinc/32/32/37/484323237.db2.gz YQWLPNXDJYLGRB-RQJABVFESA-N -1 0 372.418 -0.772 20 0 FBADRM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000647592245 484323416 /nfs/dbraw/zinc/32/34/16/484323416.db2.gz YQWLPNXDJYLGRB-XJFOESAGSA-N -1 0 372.418 -0.772 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCCN(C(=O)C3CC3)CC2)C1 ZINC000647592265 484322845 /nfs/dbraw/zinc/32/28/45/484322845.db2.gz ZCWAYDWPBZJZSE-OLZOCXBDSA-N -1 0 351.403 -0.173 20 0 FBADRM Cc1nccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)CC2)n1 ZINC000647592373 484322498 /nfs/dbraw/zinc/32/24/98/484322498.db2.gz CMHVBFYAZWVMQM-QWHCGFSZSA-N -1 0 361.402 -0.197 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000647592487 484323006 /nfs/dbraw/zinc/32/30/06/484323006.db2.gz HQTCDQKRGFEELP-NEPJUHHUSA-N -1 0 363.370 -0.067 20 0 FBADRM Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)C[C@H]2CO)cn1 ZINC000647592584 484322686 /nfs/dbraw/zinc/32/26/86/484322686.db2.gz KAQPPYJUWLYJHO-DEQVHRJGSA-N -1 0 364.402 -0.676 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C1 ZINC000647592604 484323131 /nfs/dbraw/zinc/32/31/31/484323131.db2.gz KPAOBQLZFQVQME-ADEWGFFLSA-N -1 0 352.391 -0.582 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC000647592605 484323375 /nfs/dbraw/zinc/32/33/75/484323375.db2.gz KPAOBQLZFQVQME-USWWRNFRSA-N -1 0 352.391 -0.582 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1=O ZINC000647592713 484323053 /nfs/dbraw/zinc/32/30/53/484323053.db2.gz NMDLGEZIIYFJDJ-NWDGAFQWSA-N -1 0 355.391 -0.937 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)C1 ZINC000647592720 484323272 /nfs/dbraw/zinc/32/32/72/484323272.db2.gz NQSXCQAKAOHBTF-PWSUYJOCSA-N -1 0 365.365 -0.366 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)C1 ZINC000647592993 484323294 /nfs/dbraw/zinc/32/32/94/484323294.db2.gz XNIRUJHMNAEOBV-FVCCEPFGSA-N -1 0 351.403 -0.127 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)C1 ZINC000647592994 484323148 /nfs/dbraw/zinc/32/31/48/484323148.db2.gz XNIRUJHMNAEOBV-MROQNXINSA-N -1 0 351.403 -0.127 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)C1 ZINC000647592995 484323443 /nfs/dbraw/zinc/32/34/43/484323443.db2.gz XNIRUJHMNAEOBV-NDBYEHHHSA-N -1 0 351.403 -0.127 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)C1 ZINC000647592996 484323621 /nfs/dbraw/zinc/32/36/21/484323621.db2.gz XNIRUJHMNAEOBV-VOAKCMCISA-N -1 0 351.403 -0.127 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000647593212 484324182 /nfs/dbraw/zinc/32/41/82/484324182.db2.gz DPVJILLWLDIRLL-AGIUHOORSA-N -1 0 367.402 -0.794 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000647593213 484324310 /nfs/dbraw/zinc/32/43/10/484324310.db2.gz DPVJILLWLDIRLL-FRRDWIJNSA-N -1 0 367.402 -0.794 20 0 FBADRM Cc1cccc2nc(CCNC(=O)C(=O)N3CCO[C@@H](C(=O)[O-])C3)cn21 ZINC000647593235 484324774 /nfs/dbraw/zinc/32/47/74/484324774.db2.gz GEPSWLQNHRVJSF-CYBMUJFWSA-N -1 0 360.370 -0.387 20 0 FBADRM Cc1cccc2nc(CCNC(=O)C(=O)N3CCO[C@H](C(=O)[O-])C3)cn21 ZINC000647593236 484325081 /nfs/dbraw/zinc/32/50/81/484325081.db2.gz GEPSWLQNHRVJSF-ZDUSSCGKSA-N -1 0 360.370 -0.387 20 0 FBADRM COCCN(Cc1ccnn1C)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647593468 484322561 /nfs/dbraw/zinc/32/25/61/484322561.db2.gz QOHRGVZURXFUMW-NWDGAFQWSA-N -1 0 352.391 -0.235 20 0 FBADRM COCC(C)(C)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000647593618 484322983 /nfs/dbraw/zinc/32/29/83/484322983.db2.gz ZHFWZOZOFNNCAH-QWHCGFSZSA-N -1 0 355.435 -0.075 20 0 FBADRM Cn1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)cc1C(N)=O ZINC000647620773 484328482 /nfs/dbraw/zinc/32/84/82/484328482.db2.gz CIAKRIDEZBHSGH-HTQZYQBOSA-N -1 0 351.331 -0.290 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)F)C1 ZINC000647620903 484329686 /nfs/dbraw/zinc/32/96/86/484329686.db2.gz KZFCHHKWUQLIBS-HTQZYQBOSA-N -1 0 364.392 -0.847 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)cn1C ZINC000647621063 484329905 /nfs/dbraw/zinc/32/99/05/484329905.db2.gz VCIPAMRNQGQTIV-RKDXNWHRSA-N -1 0 365.358 -0.029 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)F)C1 ZINC000647621259 484329653 /nfs/dbraw/zinc/32/96/53/484329653.db2.gz CRSHZWQKCMRFDH-NXEZZACHSA-N -1 0 360.379 -0.276 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NCC(=O)Nc1ccn(C)n1 ZINC000647622678 484428898 /nfs/dbraw/zinc/42/88/98/484428898.db2.gz RJFQJBVLMANPQM-UHFFFAOYSA-N -1 0 365.415 0.550 20 0 FBADRM CC1(C)CN(S(=O)(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)CCO1 ZINC000647623725 484329891 /nfs/dbraw/zinc/32/98/91/484329891.db2.gz CKMWDXDFMPSRLJ-LLVKDONJSA-N -1 0 373.435 -0.031 20 0 FBADRM CC1(C)CN(S(=O)(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)CCO1 ZINC000647623726 484329809 /nfs/dbraw/zinc/32/98/09/484329809.db2.gz CKMWDXDFMPSRLJ-NSHDSACASA-N -1 0 373.435 -0.031 20 0 FBADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)N3CCS(=O)(=O)CC3)C2)nn1 ZINC000647623787 484329674 /nfs/dbraw/zinc/32/96/74/484329674.db2.gz FDWPTEPQVSKIIP-JTQLQIEISA-N -1 0 357.392 -0.536 20 0 FBADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)N3CCS(=O)(=O)CC3)C2)nn1 ZINC000647623788 484329259 /nfs/dbraw/zinc/32/92/59/484329259.db2.gz FDWPTEPQVSKIIP-SNVBAGLBSA-N -1 0 357.392 -0.536 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)C[C@H](C)O1 ZINC000647623876 484329494 /nfs/dbraw/zinc/32/94/94/484329494.db2.gz INIDQRPYFGMGLM-GRYCIOLGSA-N -1 0 373.435 -0.033 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)C[C@@H](C)O1 ZINC000647623877 484329237 /nfs/dbraw/zinc/32/92/37/484329237.db2.gz INIDQRPYFGMGLM-IJLUTSLNSA-N -1 0 373.435 -0.033 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)C[C@H](C)O1 ZINC000647623878 484329139 /nfs/dbraw/zinc/32/91/39/484329139.db2.gz INIDQRPYFGMGLM-TUAOUCFPSA-N -1 0 373.435 -0.033 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)C[C@@H](C)O1 ZINC000647623879 484329287 /nfs/dbraw/zinc/32/92/87/484329287.db2.gz INIDQRPYFGMGLM-UTUOFQBUSA-N -1 0 373.435 -0.033 20 0 FBADRM COCCOCCS(=O)(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000647623946 484329617 /nfs/dbraw/zinc/32/96/17/484329617.db2.gz KZGVWFLEXVWYRB-LLVKDONJSA-N -1 0 362.408 -0.394 20 0 FBADRM COCCOCCS(=O)(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000647623947 484329295 /nfs/dbraw/zinc/32/92/95/484329295.db2.gz KZGVWFLEXVWYRB-NSHDSACASA-N -1 0 362.408 -0.394 20 0 FBADRM CN(C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000647624365 484329737 /nfs/dbraw/zinc/32/97/37/484329737.db2.gz ZXXGQRJYAMJRBB-GHMZBOCLSA-N -1 0 371.419 -0.148 20 0 FBADRM CN(C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000647624366 484329473 /nfs/dbraw/zinc/32/94/73/484329473.db2.gz ZXXGQRJYAMJRBB-MNOVXSKESA-N -1 0 371.419 -0.148 20 0 FBADRM CN(C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000647624367 484329731 /nfs/dbraw/zinc/32/97/31/484329731.db2.gz ZXXGQRJYAMJRBB-QWRGUYRKSA-N -1 0 371.419 -0.148 20 0 FBADRM CN(C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000647624368 484329499 /nfs/dbraw/zinc/32/94/99/484329499.db2.gz ZXXGQRJYAMJRBB-WDEREUQCSA-N -1 0 371.419 -0.148 20 0 FBADRM Cn1cncc1[C@@H]1CN(S(=O)(=O)N2CCOC(C)(C)C2)C[C@H]1C(=O)[O-] ZINC000647625318 484329356 /nfs/dbraw/zinc/32/93/56/484329356.db2.gz DPLDPMAHKWFBNQ-VXGBXAGGSA-N -1 0 372.447 -0.124 20 0 FBADRM C[C@H]1CN(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@H](c3cncn3C)C2)C[C@H](C)O1 ZINC000647625638 484329719 /nfs/dbraw/zinc/32/97/19/484329719.db2.gz UVICKYAAJCABBT-CYDGBPFRSA-N -1 0 372.447 -0.126 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@H](c3cncn3C)C2)C[C@@H](C)O1 ZINC000647625639 484329993 /nfs/dbraw/zinc/32/99/93/484329993.db2.gz UVICKYAAJCABBT-NDBYEHHHSA-N -1 0 372.447 -0.126 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@H](c3cncn3C)C2)C[C@H](C)O1 ZINC000647625640 484329405 /nfs/dbraw/zinc/32/94/05/484329405.db2.gz UVICKYAAJCABBT-RNJOBUHISA-N -1 0 372.447 -0.126 20 0 FBADRM CC[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000647628706 484330906 /nfs/dbraw/zinc/33/09/06/484330906.db2.gz CLVXBLDXIZDENC-GHMZBOCLSA-N -1 0 369.465 -0.864 20 0 FBADRM CC[C@@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000647628709 484331349 /nfs/dbraw/zinc/33/13/49/484331349.db2.gz CLVXBLDXIZDENC-MNOVXSKESA-N -1 0 369.465 -0.864 20 0 FBADRM CC[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000647628711 484330583 /nfs/dbraw/zinc/33/05/83/484330583.db2.gz CLVXBLDXIZDENC-QWRGUYRKSA-N -1 0 369.465 -0.864 20 0 FBADRM CC[C@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000647628713 484331044 /nfs/dbraw/zinc/33/10/44/484331044.db2.gz CLVXBLDXIZDENC-WDEREUQCSA-N -1 0 369.465 -0.864 20 0 FBADRM COc1ncc(S(=O)(=O)N2Cc3nncn3C[C@@H]2C(=O)[O-])cc1Cl ZINC000647640331 484339012 /nfs/dbraw/zinc/33/90/12/484339012.db2.gz ARFUDDYRPLUJIG-SECBINFHSA-N -1 0 373.778 -0.007 20 0 FBADRM COc1ncc(S(=O)(=O)N2Cc3nncn3C[C@H]2C(=O)[O-])cc1Cl ZINC000647640332 484339604 /nfs/dbraw/zinc/33/96/04/484339604.db2.gz ARFUDDYRPLUJIG-VIFPVBQESA-N -1 0 373.778 -0.007 20 0 FBADRM COc1cccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c1 ZINC000647640559 484339726 /nfs/dbraw/zinc/33/97/26/484339726.db2.gz REKWZZZWTMGFJJ-JTQLQIEISA-N -1 0 354.344 -0.350 20 0 FBADRM COc1cccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c1 ZINC000647640560 484339238 /nfs/dbraw/zinc/33/92/38/484339238.db2.gz REKWZZZWTMGFJJ-SNVBAGLBSA-N -1 0 354.344 -0.350 20 0 FBADRM COc1ccc(F)cc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000647640608 484340343 /nfs/dbraw/zinc/34/03/43/484340343.db2.gz UDVMFUGIPMTISZ-MRVPVSSYSA-N -1 0 372.334 -0.211 20 0 FBADRM COc1ccc(F)cc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000647640609 484340180 /nfs/dbraw/zinc/34/01/80/484340180.db2.gz UDVMFUGIPMTISZ-QMMMGPOBSA-N -1 0 372.334 -0.211 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)CCCC1CCOCC1 ZINC000647640620 484340374 /nfs/dbraw/zinc/34/03/74/484340374.db2.gz UXKVHUFMJGPAJN-LLVKDONJSA-N -1 0 374.419 -0.211 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)CCCC1CCOCC1 ZINC000647640621 484339338 /nfs/dbraw/zinc/33/93/38/484339338.db2.gz UXKVHUFMJGPAJN-NSHDSACASA-N -1 0 374.419 -0.211 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C[C@H]1C(=O)[O-] ZINC000647641343 484339436 /nfs/dbraw/zinc/33/94/36/484339436.db2.gz PNGXJMRFAFYHMZ-GHMZBOCLSA-N -1 0 356.466 -0.360 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C[C@@H]1C(=O)[O-] ZINC000647641344 484339625 /nfs/dbraw/zinc/33/96/25/484339625.db2.gz PNGXJMRFAFYHMZ-MNOVXSKESA-N -1 0 356.466 -0.360 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C[C@@H]1C(=O)[O-] ZINC000647641345 484339373 /nfs/dbraw/zinc/33/93/73/484339373.db2.gz PNGXJMRFAFYHMZ-QWRGUYRKSA-N -1 0 356.466 -0.360 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C[C@H]1C(=O)[O-] ZINC000647641346 484339807 /nfs/dbraw/zinc/33/98/07/484339807.db2.gz PNGXJMRFAFYHMZ-WDEREUQCSA-N -1 0 356.466 -0.360 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647642546 484343520 /nfs/dbraw/zinc/34/35/20/484343520.db2.gz VEZDJVQFNCTIHB-UHFFFAOYSA-N -1 0 372.465 -0.931 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)cnc21 ZINC000647642744 484344242 /nfs/dbraw/zinc/34/42/42/484344242.db2.gz GGAIAJKHOHKAHU-JGVFFNPUSA-N -1 0 368.371 -0.434 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000647642779 484345169 /nfs/dbraw/zinc/34/51/69/484345169.db2.gz JLBHAMNRKVZRQU-SFYZADRCSA-N -1 0 353.356 -0.252 20 0 FBADRM CSc1nc(C)c(CCC(=O)N[C@@H](CO)CN2CCOCC2)c(=O)[nH]1 ZINC000647662288 484394382 /nfs/dbraw/zinc/39/43/82/484394382.db2.gz UEZZOJZVHSZBHJ-GFCCVEGCSA-N -1 0 370.475 -0.046 20 0 FBADRM CSc1nc(C)c(CCC(=O)N[C@H](CO)CN2CCOCC2)c(=O)[nH]1 ZINC000647662289 484394305 /nfs/dbraw/zinc/39/43/05/484394305.db2.gz UEZZOJZVHSZBHJ-LBPRGKRZSA-N -1 0 370.475 -0.046 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CN2C(=O)NC(=O)C2(C)C)ccc1[O-] ZINC000647685442 483485733 /nfs/dbraw/zinc/48/57/33/483485733.db2.gz WLQWLFGBSOYICJ-UHFFFAOYSA-N -1 0 370.387 -0.431 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N(C)Cc1n[n-]c(=O)o1 ZINC000647695663 483610827 /nfs/dbraw/zinc/61/08/27/483610827.db2.gz KWUZVSFJHWCSLL-MRVPVSSYSA-N -1 0 372.407 -0.549 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)Cc1n[n-]c(=O)o1 ZINC000647695664 483610564 /nfs/dbraw/zinc/61/05/64/483610564.db2.gz KWUZVSFJHWCSLL-QMMMGPOBSA-N -1 0 372.407 -0.549 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000647696265 484368040 /nfs/dbraw/zinc/36/80/40/484368040.db2.gz CLKUITJUEHEVNS-NEPJUHHUSA-N -1 0 365.390 0.117 20 0 FBADRM CNS(=O)(=O)c1ccc(NC(=O)NCC2(C(=O)[O-])CCOCC2)nc1 ZINC000647699929 483634321 /nfs/dbraw/zinc/63/43/21/483634321.db2.gz JUGRXBUEGYKRGK-UHFFFAOYSA-N -1 0 372.403 -0.007 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCCC(=O)[O-])cc1 ZINC000647727149 483829840 /nfs/dbraw/zinc/82/98/40/483829840.db2.gz NBQQKASPADRJIL-UHFFFAOYSA-N -1 0 357.388 -0.096 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000647727263 483830446 /nfs/dbraw/zinc/83/04/46/483830446.db2.gz XANAWLASKBVAHD-UHFFFAOYSA-N -1 0 372.399 -0.273 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1 ZINC000647727280 483830465 /nfs/dbraw/zinc/83/04/65/483830465.db2.gz YABVRQNSEIPMBJ-UHFFFAOYSA-N -1 0 372.399 -0.273 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000647727288 483830449 /nfs/dbraw/zinc/83/04/49/483830449.db2.gz ZBFKBERHROVECL-UHFFFAOYSA-N -1 0 370.387 -0.599 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C1 ZINC000647727398 483832936 /nfs/dbraw/zinc/83/29/36/483832936.db2.gz COSRPCOEGOGNGV-SECBINFHSA-N -1 0 352.372 -0.226 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C1 ZINC000647727399 483833093 /nfs/dbraw/zinc/83/30/93/483833093.db2.gz COSRPCOEGOGNGV-VIFPVBQESA-N -1 0 352.372 -0.226 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000647727889 483838818 /nfs/dbraw/zinc/83/88/18/483838818.db2.gz GSTASMIMBGDVAZ-CYBMUJFWSA-N -1 0 370.383 -0.521 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000647727890 483839048 /nfs/dbraw/zinc/83/90/48/483839048.db2.gz GSTASMIMBGDVAZ-ZDUSSCGKSA-N -1 0 370.383 -0.521 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000647727906 483839119 /nfs/dbraw/zinc/83/91/19/483839119.db2.gz IKYFHMDNHIAAJP-BDAKNGLRSA-N -1 0 357.388 -0.616 20 0 FBADRM C[C@H](C(=O)[O-])N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000647727907 483838923 /nfs/dbraw/zinc/83/89/23/483838923.db2.gz IKYFHMDNHIAAJP-DTWKUNHWSA-N -1 0 357.388 -0.616 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000647727908 483838803 /nfs/dbraw/zinc/83/88/03/483838803.db2.gz IKYFHMDNHIAAJP-IUCAKERBSA-N -1 0 357.388 -0.616 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)[C@H](C)C(=O)[O-] ZINC000647727909 483838949 /nfs/dbraw/zinc/83/89/49/483838949.db2.gz IKYFHMDNHIAAJP-RKDXNWHRSA-N -1 0 357.388 -0.616 20 0 FBADRM CC(C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000647727916 483838990 /nfs/dbraw/zinc/83/89/90/483838990.db2.gz JOCIBGZRHYEQJH-CABZTGNLSA-N -1 0 371.415 -0.322 20 0 FBADRM CC(C)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000647727917 483838808 /nfs/dbraw/zinc/83/88/08/483838808.db2.gz JOCIBGZRHYEQJH-SKDRFNHKSA-N -1 0 371.415 -0.322 20 0 FBADRM Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000647727949 483838800 /nfs/dbraw/zinc/83/88/00/483838800.db2.gz MFPRHQQZMHMSNN-GFCCVEGCSA-N -1 0 356.400 -0.106 20 0 FBADRM Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000647727950 483838847 /nfs/dbraw/zinc/83/88/47/483838847.db2.gz MFPRHQQZMHMSNN-LBPRGKRZSA-N -1 0 356.400 -0.106 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CCO1 ZINC000647727986 483839540 /nfs/dbraw/zinc/83/95/40/483839540.db2.gz PARORNDLLJRUBD-JTQLQIEISA-N -1 0 368.371 -0.847 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CCO1 ZINC000647727987 483839581 /nfs/dbraw/zinc/83/95/81/483839581.db2.gz PARORNDLLJRUBD-SNVBAGLBSA-N -1 0 368.371 -0.847 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CCO1 ZINC000647728018 483839647 /nfs/dbraw/zinc/83/96/47/483839647.db2.gz RKGSZSVAUSJKOR-LLVKDONJSA-N -1 0 362.791 -0.070 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CCO1 ZINC000647728019 483839338 /nfs/dbraw/zinc/83/93/38/483839338.db2.gz RKGSZSVAUSJKOR-NSHDSACASA-N -1 0 362.791 -0.070 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000647728030 483839383 /nfs/dbraw/zinc/83/93/83/483839383.db2.gz SBSLEERJFJQWOK-CYBMUJFWSA-N -1 0 370.383 -0.521 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000647728031 483839386 /nfs/dbraw/zinc/83/93/86/483839386.db2.gz SBSLEERJFJQWOK-ZDUSSCGKSA-N -1 0 370.383 -0.521 20 0 FBADRM Cc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1C ZINC000647728050 483839519 /nfs/dbraw/zinc/83/95/19/483839519.db2.gz UJNLYKLNXPUMGM-CYBMUJFWSA-N -1 0 356.400 -0.106 20 0 FBADRM Cc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1C ZINC000647728051 483839598 /nfs/dbraw/zinc/83/95/98/483839598.db2.gz UJNLYKLNXPUMGM-ZDUSSCGKSA-N -1 0 356.400 -0.106 20 0 FBADRM C[C@@](O)(CNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000647730692 483847220 /nfs/dbraw/zinc/84/72/20/483847220.db2.gz JENLKWHHRDJDMB-GFCCVEGCSA-N -1 0 350.780 -0.430 20 0 FBADRM C[C@](O)(CNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000647730693 483846940 /nfs/dbraw/zinc/84/69/40/483846940.db2.gz JENLKWHHRDJDMB-LBPRGKRZSA-N -1 0 350.780 -0.430 20 0 FBADRM C[C@@](O)(CNC(=O)CCNS(=O)(=O)c1ccccc1Cl)C(=O)[O-] ZINC000647730845 483847223 /nfs/dbraw/zinc/84/72/23/483847223.db2.gz VXFFDCBWSNYUJL-CYBMUJFWSA-N -1 0 364.807 -0.040 20 0 FBADRM C[C@](O)(CNC(=O)CCNS(=O)(=O)c1ccccc1Cl)C(=O)[O-] ZINC000647730846 483847043 /nfs/dbraw/zinc/84/70/43/483847043.db2.gz VXFFDCBWSNYUJL-ZDUSSCGKSA-N -1 0 364.807 -0.040 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000647733441 483852955 /nfs/dbraw/zinc/85/29/55/483852955.db2.gz BRHHTSGNWBIRAY-LLVKDONJSA-N -1 0 362.791 -0.070 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000647733442 483852797 /nfs/dbraw/zinc/85/27/97/483852797.db2.gz BRHHTSGNWBIRAY-NSHDSACASA-N -1 0 362.791 -0.070 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000647733465 483852878 /nfs/dbraw/zinc/85/28/78/483852878.db2.gz CTCLYJIJYDJQFR-CYBMUJFWSA-N -1 0 370.383 -0.521 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000647733466 483853652 /nfs/dbraw/zinc/85/36/52/483853652.db2.gz CTCLYJIJYDJQFR-ZDUSSCGKSA-N -1 0 370.383 -0.521 20 0 FBADRM Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000647733498 483853757 /nfs/dbraw/zinc/85/37/57/483853757.db2.gz GWDWYOKRHDEFEG-GFCCVEGCSA-N -1 0 356.400 -0.106 20 0 FBADRM Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000647733499 483853799 /nfs/dbraw/zinc/85/37/99/483853799.db2.gz GWDWYOKRHDEFEG-LBPRGKRZSA-N -1 0 356.400 -0.106 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N(CC(=O)[O-])C2CCOCC2)cn1C ZINC000647733520 483853416 /nfs/dbraw/zinc/85/34/16/483853416.db2.gz IQVFORCNEPCGTD-UHFFFAOYSA-N -1 0 374.419 -0.901 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000647733530 483853769 /nfs/dbraw/zinc/85/37/69/483853769.db2.gz JJCHZFHUKBPJSS-CYBMUJFWSA-N -1 0 370.383 -0.521 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000647733531 483853437 /nfs/dbraw/zinc/85/34/37/483853437.db2.gz JJCHZFHUKBPJSS-ZDUSSCGKSA-N -1 0 370.383 -0.521 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000647733559 483853865 /nfs/dbraw/zinc/85/38/65/483853865.db2.gz LZUBYIAXXVWJGY-JTQLQIEISA-N -1 0 368.371 -0.847 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000647733560 483853503 /nfs/dbraw/zinc/85/35/03/483853503.db2.gz LZUBYIAXXVWJGY-SNVBAGLBSA-N -1 0 368.371 -0.847 20 0 FBADRM Cc1ccc(S(=O)(=O)NCC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1C ZINC000647733607 483853596 /nfs/dbraw/zinc/85/35/96/483853596.db2.gz QHGZGNSINSWTER-CYBMUJFWSA-N -1 0 356.400 -0.106 20 0 FBADRM Cc1ccc(S(=O)(=O)NCC(=O)N2CCOC[C@H]2C(=O)[O-])cc1C ZINC000647733608 483853734 /nfs/dbraw/zinc/85/37/34/483853734.db2.gz QHGZGNSINSWTER-ZDUSSCGKSA-N -1 0 356.400 -0.106 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N(CC(=O)[O-])C2CCOCC2)cn1 ZINC000647733649 483853655 /nfs/dbraw/zinc/85/36/55/483853655.db2.gz UBZWQVFVVANARB-UHFFFAOYSA-N -1 0 357.388 -0.305 20 0 FBADRM CCN1CCN(CC(=O)N(CCC(=O)[O-])C2CCOCC2)C(=O)C1=O ZINC000647733777 483854421 /nfs/dbraw/zinc/85/44/21/483854421.db2.gz FBGNIGJWKADHJW-UHFFFAOYSA-N -1 0 355.391 -0.841 20 0 FBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000647738947 483860603 /nfs/dbraw/zinc/86/06/03/483860603.db2.gz QXRKYSSFJBVCIM-CHWSQXEVSA-N -1 0 361.402 -0.318 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)cn1C ZINC000647739582 483862914 /nfs/dbraw/zinc/86/29/14/483862914.db2.gz IDILPFPDKHBFCW-GHMZBOCLSA-N -1 0 356.404 -0.718 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)C(C)(C)C(=O)[O-])CC2)cn1C ZINC000647739767 483863365 /nfs/dbraw/zinc/86/33/65/483863365.db2.gz YZHJTRXVNRAYPU-UHFFFAOYSA-N -1 0 358.420 -0.328 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)Cn1nnnc1-c1ccsc1 ZINC000647743078 483867335 /nfs/dbraw/zinc/86/73/35/483867335.db2.gz XBXGXWPFXKAGIK-SECBINFHSA-N -1 0 371.400 -0.888 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)Cn1nnnc1-c1ccsc1 ZINC000647743079 483867523 /nfs/dbraw/zinc/86/75/23/483867523.db2.gz XBXGXWPFXKAGIK-VIFPVBQESA-N -1 0 371.400 -0.888 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)Nc2cnn(CC(=O)[O-])c2)n(C)c1 ZINC000647743832 483870125 /nfs/dbraw/zinc/87/01/25/483870125.db2.gz CPVVDUWERIQQFO-UHFFFAOYSA-N -1 0 355.376 -0.191 20 0 FBADRM Cc1cc(C(=O)Nc2cnn(CC(=O)[O-])c2)nc2c1c(=O)n(C)c(=O)n2C ZINC000647744794 483870817 /nfs/dbraw/zinc/87/08/17/483870817.db2.gz KNJXOXVHTLPMDJ-UHFFFAOYSA-N -1 0 372.341 -0.526 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647745294 483871086 /nfs/dbraw/zinc/87/10/86/483871086.db2.gz VIULGTFPJIDHIO-MRVPVSSYSA-N -1 0 356.364 -0.993 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647745295 483871271 /nfs/dbraw/zinc/87/12/71/483871271.db2.gz VIULGTFPJIDHIO-QMMMGPOBSA-N -1 0 356.364 -0.993 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)Nc2cnn(CC(=O)[O-])c2)c1 ZINC000647745372 483871464 /nfs/dbraw/zinc/87/14/64/483871464.db2.gz YFCJQEUEOKLHRG-UHFFFAOYSA-N -1 0 371.375 -0.527 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)Nc2cnn(CC(=O)[O-])c2)cn1C ZINC000647745444 483872926 /nfs/dbraw/zinc/87/29/26/483872926.db2.gz AHTYRIHCOHVZQY-UHFFFAOYSA-N -1 0 370.391 -0.683 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647745722 483872795 /nfs/dbraw/zinc/87/27/95/483872795.db2.gz MYVMGCJOJAQEBN-MRVPVSSYSA-N -1 0 371.375 -0.122 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647745723 483872743 /nfs/dbraw/zinc/87/27/43/483872743.db2.gz MYVMGCJOJAQEBN-QMMMGPOBSA-N -1 0 371.375 -0.122 20 0 FBADRM Cn1c(C(=O)Nc2cnn(CC(=O)[O-])c2)cc2c1n(C)c(=O)n(C)c2=O ZINC000647746108 483872809 /nfs/dbraw/zinc/87/28/09/483872809.db2.gz ZFFRLCRAMJGFSE-UHFFFAOYSA-N -1 0 360.330 -0.891 20 0 FBADRM C[C@@H]1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@H]1C(=O)[O-] ZINC000647750803 483885280 /nfs/dbraw/zinc/88/52/80/483885280.db2.gz JKNIPLUXYUXKBG-BXKDBHETSA-N -1 0 360.370 -0.185 20 0 FBADRM C[C@H]1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@@H]1C(=O)[O-] ZINC000647750804 483885378 /nfs/dbraw/zinc/88/53/78/483885378.db2.gz JKNIPLUXYUXKBG-CABZTGNLSA-N -1 0 360.370 -0.185 20 0 FBADRM C[C@H]1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@H]1C(=O)[O-] ZINC000647750805 483885347 /nfs/dbraw/zinc/88/53/47/483885347.db2.gz JKNIPLUXYUXKBG-JOYOIKCWSA-N -1 0 360.370 -0.185 20 0 FBADRM C[C@@H]1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@@H]1C(=O)[O-] ZINC000647750806 483885472 /nfs/dbraw/zinc/88/54/72/483885472.db2.gz JKNIPLUXYUXKBG-SKDRFNHKSA-N -1 0 360.370 -0.185 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)N1CCC(C)(C(=O)[O-])CC1)c(=O)n2C ZINC000647761565 483909304 /nfs/dbraw/zinc/90/93/04/483909304.db2.gz GINJWPAEDNPGPI-UHFFFAOYSA-N -1 0 363.374 -0.853 20 0 FBADRM Cn1c2ncn(CC(=O)N3CCC(C)(C(=O)[O-])CC3)c2c(=O)n(C)c1=O ZINC000647761858 483909627 /nfs/dbraw/zinc/90/96/27/483909627.db2.gz ZHBIVSIGAPBHCQ-UHFFFAOYSA-N -1 0 363.374 -0.853 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N3CCC(C)(C(=O)[O-])CC3)nc2n(C)c1=O ZINC000647762004 483910685 /nfs/dbraw/zinc/91/06/85/483910685.db2.gz FQEXRMLOQBIWJU-UHFFFAOYSA-N -1 0 360.370 -0.041 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC(C)(C(=O)[O-])CC2)cn1C ZINC000647762012 483910892 /nfs/dbraw/zinc/91/08/92/483910892.db2.gz FXNAMSURASXXPV-UHFFFAOYSA-N -1 0 358.420 -0.280 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647762061 483910574 /nfs/dbraw/zinc/91/05/74/483910574.db2.gz IEWFRVQIDUJIGC-JTQLQIEISA-N -1 0 358.420 -0.200 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647762062 483910982 /nfs/dbraw/zinc/91/09/82/483910982.db2.gz IEWFRVQIDUJIGC-SNVBAGLBSA-N -1 0 358.420 -0.200 20 0 FBADRM Cn1c(=O)c2cc(C(=O)N3CCC(C)(C(=O)[O-])CC3)cnc2n(C)c1=O ZINC000647762173 483910435 /nfs/dbraw/zinc/91/04/35/483910435.db2.gz OEBAQJPUWFKDMF-UHFFFAOYSA-N -1 0 360.370 -0.041 20 0 FBADRM Cn1c(C(=O)N2CCC(C)(C(=O)[O-])CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000647762350 483910883 /nfs/dbraw/zinc/91/08/83/483910883.db2.gz YRTPZNKXDKUFQF-UHFFFAOYSA-N -1 0 362.386 -0.097 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)NCC2(C(=O)[O-])CCOCC2)cn1 ZINC000647764620 483912714 /nfs/dbraw/zinc/91/27/14/483912714.db2.gz JLRHZDHBKARYEX-UHFFFAOYSA-N -1 0 357.388 -0.399 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)NCC2(C(=O)[O-])CCOCC2)n(C)c1 ZINC000647764781 483914355 /nfs/dbraw/zinc/91/43/55/483914355.db2.gz VABITXZITJQULY-UHFFFAOYSA-N -1 0 373.431 -0.113 20 0 FBADRM O=C([O-])C1(CNC(=O)CCNS(=O)(=O)c2cccnc2)CCOCC1 ZINC000647766110 483914239 /nfs/dbraw/zinc/91/42/39/483914239.db2.gz IUPIZTMRJZIPNT-UHFFFAOYSA-N -1 0 371.415 -0.252 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)NCC1(C(=O)[O-])CCOCC1)n1cccn1 ZINC000647766168 483913791 /nfs/dbraw/zinc/91/37/91/483913791.db2.gz LWJNROCGZNSDGZ-GFCCVEGCSA-N -1 0 352.391 -0.100 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)NCC1(C(=O)[O-])CCOCC1)n1cccn1 ZINC000647766169 483914058 /nfs/dbraw/zinc/91/40/58/483914058.db2.gz LWJNROCGZNSDGZ-LBPRGKRZSA-N -1 0 352.391 -0.100 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NCC2(C(=O)[O-])CCOCC2)cn1C ZINC000647766278 483914224 /nfs/dbraw/zinc/91/42/24/483914224.db2.gz RLTMMMUEUURUPK-UHFFFAOYSA-N -1 0 374.419 -0.996 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCC2(C(=O)[O-])CCOCC2)C1=O ZINC000647767358 483917943 /nfs/dbraw/zinc/91/79/43/483917943.db2.gz FVQZCFRKFWEUIG-HNNXBMFYSA-N -1 0 353.375 -0.296 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)NCC2(C(=O)[O-])CCOCC2)C1=O ZINC000647767359 483916904 /nfs/dbraw/zinc/91/69/04/483916904.db2.gz FVQZCFRKFWEUIG-OAHLLOKOSA-N -1 0 353.375 -0.296 20 0 FBADRM CC[C@H](NC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000647768055 483918763 /nfs/dbraw/zinc/91/87/63/483918763.db2.gz SBJHIIFITMFQRE-NWDGAFQWSA-N -1 0 361.354 -0.104 20 0 FBADRM CC[C@H](NC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000647768056 483918888 /nfs/dbraw/zinc/91/88/88/483918888.db2.gz SBJHIIFITMFQRE-RYUDHWBXSA-N -1 0 361.354 -0.104 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)co1 ZINC000647768879 483925533 /nfs/dbraw/zinc/92/55/33/483925533.db2.gz CLMPZHHYDMTWEP-LLVKDONJSA-N -1 0 356.360 -0.181 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)co1 ZINC000647768880 483926867 /nfs/dbraw/zinc/92/68/67/483926867.db2.gz CLMPZHHYDMTWEP-NSHDSACASA-N -1 0 356.360 -0.181 20 0 FBADRM CC[C@H](NC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)[O-] ZINC000647769006 483925755 /nfs/dbraw/zinc/92/57/55/483925755.db2.gz HHWKRBBSRSLALL-JTQLQIEISA-N -1 0 360.388 -0.039 20 0 FBADRM CC[C@H](NC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)[O-] ZINC000647769042 483926030 /nfs/dbraw/zinc/92/60/30/483926030.db2.gz IZHTYKHADTUQFK-LBPRGKRZSA-N -1 0 357.388 -0.097 20 0 FBADRM Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c2ccnn2C)cc1 ZINC000647769060 483926858 /nfs/dbraw/zinc/92/68/58/483926858.db2.gz JSJBUPVNIJPITL-AWEZNQCLSA-N -1 0 366.399 -0.051 20 0 FBADRM Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cc1 ZINC000647769061 483925970 /nfs/dbraw/zinc/92/59/70/483925970.db2.gz JSJBUPVNIJPITL-CQSZACIVSA-N -1 0 366.399 -0.051 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cn1 ZINC000647769110 483925502 /nfs/dbraw/zinc/92/55/02/483925502.db2.gz LHJGMNBMFZYSEX-GFCCVEGCSA-N -1 0 367.387 -0.379 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)cn1 ZINC000647769111 483926401 /nfs/dbraw/zinc/92/64/01/483926401.db2.gz LHJGMNBMFZYSEX-LBPRGKRZSA-N -1 0 367.387 -0.379 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)n(C)c1 ZINC000647769123 483928223 /nfs/dbraw/zinc/92/82/23/483928223.db2.gz LQOWBHABVVRMOR-GFCCVEGCSA-N -1 0 369.403 -0.435 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)n(C)c1 ZINC000647769124 483928080 /nfs/dbraw/zinc/92/80/80/483928080.db2.gz LQOWBHABVVRMOR-LBPRGKRZSA-N -1 0 369.403 -0.435 20 0 FBADRM CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000647769125 483927777 /nfs/dbraw/zinc/92/77/77/483927777.db2.gz LSAQFYZGNAXXFC-KCJUWKMLSA-N -1 0 357.388 -0.568 20 0 FBADRM CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000647769126 483928098 /nfs/dbraw/zinc/92/80/98/483928098.db2.gz LSAQFYZGNAXXFC-KWQFWETISA-N -1 0 357.388 -0.568 20 0 FBADRM Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000647769992 483935679 /nfs/dbraw/zinc/93/56/79/483935679.db2.gz SOZFJRHDNUBAQS-SECBINFHSA-N -1 0 358.401 -0.007 20 0 FBADRM Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000647769993 483936391 /nfs/dbraw/zinc/93/63/91/483936391.db2.gz SOZFJRHDNUBAQS-VIFPVBQESA-N -1 0 358.401 -0.007 20 0 FBADRM Cn1nccc1[C@@H](NC(=O)CCNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000647770886 483942807 /nfs/dbraw/zinc/94/28/07/483942807.db2.gz AXGMKZYWMYLKGU-CYBMUJFWSA-N -1 0 367.387 -0.574 20 0 FBADRM Cn1nccc1[C@H](NC(=O)CCNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000647770887 483942939 /nfs/dbraw/zinc/94/29/39/483942939.db2.gz AXGMKZYWMYLKGU-ZDUSSCGKSA-N -1 0 367.387 -0.574 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)c(C)o1 ZINC000647771599 483945779 /nfs/dbraw/zinc/94/57/79/483945779.db2.gz NNBBOYMCAWYXDF-LLVKDONJSA-N -1 0 356.360 -0.215 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)c(C)o1 ZINC000647771600 483946142 /nfs/dbraw/zinc/94/61/42/483946142.db2.gz NNBBOYMCAWYXDF-NSHDSACASA-N -1 0 356.360 -0.215 20 0 FBADRM CN(CC(=O)N[C@@H](C(=O)[O-])c1ccnn1C)S(=O)(=O)c1cccnc1 ZINC000647771643 483946630 /nfs/dbraw/zinc/94/66/30/483946630.db2.gz PFKJDVRCTFBESP-CYBMUJFWSA-N -1 0 367.387 -0.622 20 0 FBADRM CN(CC(=O)N[C@H](C(=O)[O-])c1ccnn1C)S(=O)(=O)c1cccnc1 ZINC000647771644 483945940 /nfs/dbraw/zinc/94/59/40/483945940.db2.gz PFKJDVRCTFBESP-ZDUSSCGKSA-N -1 0 367.387 -0.622 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000647771710 483946093 /nfs/dbraw/zinc/94/60/93/483946093.db2.gz RFZQDKNRHRUCRK-GFCCVEGCSA-N -1 0 362.408 -0.994 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000647771711 483946453 /nfs/dbraw/zinc/94/64/53/483946453.db2.gz RFZQDKNRHRUCRK-LBPRGKRZSA-N -1 0 362.408 -0.994 20 0 FBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)c1 ZINC000647771777 483946343 /nfs/dbraw/zinc/94/63/43/483946343.db2.gz UKQDZCUVNFBNNA-GFCCVEGCSA-N -1 0 369.403 -0.009 20 0 FBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)c1 ZINC000647771778 483946524 /nfs/dbraw/zinc/94/65/24/483946524.db2.gz UKQDZCUVNFBNNA-LBPRGKRZSA-N -1 0 369.403 -0.009 20 0 FBADRM CNS(=O)(=O)c1csc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)c1 ZINC000647771871 483946799 /nfs/dbraw/zinc/94/67/99/483946799.db2.gz XHAVVCFBDDLFRH-JTQLQIEISA-N -1 0 358.401 -0.055 20 0 FBADRM CNS(=O)(=O)c1csc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)c1 ZINC000647771872 483945467 /nfs/dbraw/zinc/94/54/67/483945467.db2.gz XHAVVCFBDDLFRH-SNVBAGLBSA-N -1 0 358.401 -0.055 20 0 FBADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccnn1C)N1C(=O)NC2(CCCC2)C1=O ZINC000647772586 483960683 /nfs/dbraw/zinc/96/06/83/483960683.db2.gz AXJNOAKBZOEWQC-GXSJLCMTSA-N -1 0 363.374 -0.085 20 0 FBADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccnn1C)N1C(=O)NC2(CCCC2)C1=O ZINC000647772587 483960782 /nfs/dbraw/zinc/96/07/82/483960782.db2.gz AXJNOAKBZOEWQC-KOLCDFICSA-N -1 0 363.374 -0.085 20 0 FBADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccnn1C)N1C(=O)NC2(CCCC2)C1=O ZINC000647772588 483960790 /nfs/dbraw/zinc/96/07/90/483960790.db2.gz AXJNOAKBZOEWQC-MWLCHTKSSA-N -1 0 363.374 -0.085 20 0 FBADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccnn1C)N1C(=O)NC2(CCCC2)C1=O ZINC000647772589 483960459 /nfs/dbraw/zinc/96/04/59/483960459.db2.gz AXJNOAKBZOEWQC-ONGXEEELSA-N -1 0 363.374 -0.085 20 0 FBADRM CN(CC(=O)N[C@H](C(=O)[O-])c1ccnn1C)S(=O)(=O)c1ccccc1 ZINC000647773577 484007428 /nfs/dbraw/zinc/00/74/28/484007428.db2.gz ATMRCTCVUHCEEE-AWEZNQCLSA-N -1 0 366.399 -0.017 20 0 FBADRM CN(CC(=O)N[C@@H](C(=O)[O-])c1ccnn1C)S(=O)(=O)c1ccccc1 ZINC000647773578 484008088 /nfs/dbraw/zinc/00/80/88/484008088.db2.gz ATMRCTCVUHCEEE-CQSZACIVSA-N -1 0 366.399 -0.017 20 0 FBADRM Cn1nccc1[C@@H](NC(=O)CCCS(=O)(=O)N1CCCC1)C(=O)[O-] ZINC000647773813 484014083 /nfs/dbraw/zinc/01/40/83/484014083.db2.gz IJKKCMQBYNBSFG-CYBMUJFWSA-N -1 0 358.420 -0.132 20 0 FBADRM Cn1nccc1[C@H](NC(=O)CCCS(=O)(=O)N1CCCC1)C(=O)[O-] ZINC000647773814 484014098 /nfs/dbraw/zinc/01/40/98/484014098.db2.gz IJKKCMQBYNBSFG-ZDUSSCGKSA-N -1 0 358.420 -0.132 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)c1 ZINC000647774091 484018998 /nfs/dbraw/zinc/01/89/98/484018998.db2.gz RFGALQVLSCOESM-LLVKDONJSA-N -1 0 355.376 -0.446 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)c1 ZINC000647774092 484019151 /nfs/dbraw/zinc/01/91/51/484019151.db2.gz RFGALQVLSCOESM-NSHDSACASA-N -1 0 355.376 -0.446 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)C1 ZINC000647774562 484021154 /nfs/dbraw/zinc/02/11/54/484021154.db2.gz IXPWCPHINMQNJQ-CMPLNLGQSA-N -1 0 358.420 -0.276 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C(=O)[O-])c2ccnn2C)C1 ZINC000647774563 484021115 /nfs/dbraw/zinc/02/11/15/484021115.db2.gz IXPWCPHINMQNJQ-JQWIXIFHSA-N -1 0 358.420 -0.276 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C(=O)[O-])c2ccnn2C)C1 ZINC000647774564 484020438 /nfs/dbraw/zinc/02/04/38/484020438.db2.gz IXPWCPHINMQNJQ-PWSUYJOCSA-N -1 0 358.420 -0.276 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)C1 ZINC000647774565 484020619 /nfs/dbraw/zinc/02/06/19/484020619.db2.gz IXPWCPHINMQNJQ-ZYHUDNBSSA-N -1 0 358.420 -0.276 20 0 FBADRM Cn1nccc1[C@@H](NC(=O)CNS(=O)(=O)c1cccs1)C(=O)[O-] ZINC000647774742 484019216 /nfs/dbraw/zinc/01/92/16/484019216.db2.gz PBRASCPUPVGKAQ-LLVKDONJSA-N -1 0 358.401 -0.298 20 0 FBADRM Cn1nccc1[C@H](NC(=O)CNS(=O)(=O)c1cccs1)C(=O)[O-] ZINC000647774743 484018159 /nfs/dbraw/zinc/01/81/59/484018159.db2.gz PBRASCPUPVGKAQ-NSHDSACASA-N -1 0 358.401 -0.298 20 0 FBADRM Cn1nccc1[C@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000647774956 484018405 /nfs/dbraw/zinc/01/84/05/484018405.db2.gz YKYRGKVIRUCROG-AWEZNQCLSA-N -1 0 356.342 -0.143 20 0 FBADRM Cn1nccc1[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000647774957 484018867 /nfs/dbraw/zinc/01/88/67/484018867.db2.gz YKYRGKVIRUCROG-CQSZACIVSA-N -1 0 356.342 -0.143 20 0 FBADRM Cn1nccc1[C@@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)C(=O)[O-] ZINC000647775093 484021537 /nfs/dbraw/zinc/02/15/37/484021537.db2.gz AGWRBGPEPVXWIV-GFCCVEGCSA-N -1 0 363.374 -0.083 20 0 FBADRM Cn1nccc1[C@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)C(=O)[O-] ZINC000647775094 484021144 /nfs/dbraw/zinc/02/11/44/484021144.db2.gz AGWRBGPEPVXWIV-LBPRGKRZSA-N -1 0 363.374 -0.083 20 0 FBADRM Cn1nccc1[C@@H](NC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)[O-] ZINC000647775181 484020120 /nfs/dbraw/zinc/02/01/20/484020120.db2.gz DMWYBRYAGIHZET-LLVKDONJSA-N -1 0 351.363 -0.227 20 0 FBADRM Cn1nccc1[C@H](NC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)[O-] ZINC000647775182 484020182 /nfs/dbraw/zinc/02/01/82/484020182.db2.gz DMWYBRYAGIHZET-NSHDSACASA-N -1 0 351.363 -0.227 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)N[C@@H](C(=O)[O-])c2ccnn2C)C1=O ZINC000647775384 484020475 /nfs/dbraw/zinc/02/04/75/484020475.db2.gz NHIGWNQKIVLMKI-LLVKDONJSA-N -1 0 351.363 -0.227 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)N[C@H](C(=O)[O-])c2ccnn2C)C1=O ZINC000647775385 484020154 /nfs/dbraw/zinc/02/01/54/484020154.db2.gz NHIGWNQKIVLMKI-NSHDSACASA-N -1 0 351.363 -0.227 20 0 FBADRM Cn1nccc1[C@@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)C(=O)[O-] ZINC000647775403 484020724 /nfs/dbraw/zinc/02/07/24/484020724.db2.gz NVRLDHXQEMSXQZ-GFCCVEGCSA-N -1 0 363.374 -0.083 20 0 FBADRM Cn1nccc1[C@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)C(=O)[O-] ZINC000647775404 484020292 /nfs/dbraw/zinc/02/02/92/484020292.db2.gz NVRLDHXQEMSXQZ-LBPRGKRZSA-N -1 0 363.374 -0.083 20 0 FBADRM Cn1nccc1[C@H](NC(=O)CCc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000647775540 484020369 /nfs/dbraw/zinc/02/03/69/484020369.db2.gz SKOUVDREIQZZJI-AWEZNQCLSA-N -1 0 366.399 -0.058 20 0 FBADRM Cn1nccc1[C@@H](NC(=O)CCc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000647775541 484020894 /nfs/dbraw/zinc/02/08/94/484020894.db2.gz SKOUVDREIQZZJI-CQSZACIVSA-N -1 0 366.399 -0.058 20 0 FBADRM CS(=O)(=O)N1CCc2cc(C(=O)Nc3ncn(CC(=O)[O-])n3)ccc21 ZINC000647780116 484465941 /nfs/dbraw/zinc/46/59/41/484465941.db2.gz BSCVKVZEEFKJIW-UHFFFAOYSA-N -1 0 365.371 -0.063 20 0 FBADRM CS(=O)(=O)NCCc1ccc(C(=O)Nc2ncn(CC(=O)[O-])n2)s1 ZINC000647780547 484466919 /nfs/dbraw/zinc/46/69/19/484466919.db2.gz CLOXVDIDEPSEMF-UHFFFAOYSA-N -1 0 373.416 -0.232 20 0 FBADRM O=C([O-])Cn1cnc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)n1 ZINC000647780578 484366549 /nfs/dbraw/zinc/36/65/49/484366549.db2.gz DQNKRHDUPUZCGR-UHFFFAOYSA-N -1 0 365.371 0.155 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ncn(CC(=O)[O-])n1)C2=O ZINC000647780624 484063562 /nfs/dbraw/zinc/06/35/62/484063562.db2.gz GMECHNQRXDFAIJ-UHFFFAOYSA-N -1 0 364.362 -0.198 20 0 FBADRM O=C([O-])Cn1cnc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)n1 ZINC000647780730 484063524 /nfs/dbraw/zinc/06/35/24/484063524.db2.gz LLIMNJLAYVNPNW-UHFFFAOYSA-N -1 0 350.335 -0.444 20 0 FBADRM COCCS(=O)(=O)c1ccc(C(=O)Nc2ncn(CC(=O)[O-])n2)cc1 ZINC000647780776 484332394 /nfs/dbraw/zinc/33/23/94/484332394.db2.gz MWLASRKQCIDZDC-UHFFFAOYSA-N -1 0 368.371 0.035 20 0 FBADRM CS(=O)(=O)NCCc1ccc(C(=O)Nc2ncn(CC(=O)[O-])n2)cc1 ZINC000647780852 484466848 /nfs/dbraw/zinc/46/68/48/484466848.db2.gz QFMIYRLHAJHMJN-UHFFFAOYSA-N -1 0 367.387 -0.293 20 0 FBADRM C[C@H](C(=O)Nc1ncn(CC(=O)[O-])n1)N1C(=O)NC2(CCCC2)C1=O ZINC000647780906 484067723 /nfs/dbraw/zinc/06/77/23/484067723.db2.gz SOADRTTZZOXNTH-MRVPVSSYSA-N -1 0 350.335 -0.446 20 0 FBADRM C[C@@H](C(=O)Nc1ncn(CC(=O)[O-])n1)N1C(=O)NC2(CCCC2)C1=O ZINC000647780907 484066925 /nfs/dbraw/zinc/06/69/25/484066925.db2.gz SOADRTTZZOXNTH-QMMMGPOBSA-N -1 0 350.335 -0.446 20 0 FBADRM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ncn(CC(=O)[O-])n1)C2=O ZINC000647781060 484067092 /nfs/dbraw/zinc/06/70/92/484067092.db2.gz ZSDKZCDFYUFQQX-BJOHPYRUSA-N -1 0 364.362 -0.198 20 0 FBADRM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ncn(CC(=O)[O-])n1)C2=O ZINC000647781061 484066735 /nfs/dbraw/zinc/06/67/35/484066735.db2.gz ZSDKZCDFYUFQQX-PSLIRLAXSA-N -1 0 364.362 -0.198 20 0 FBADRM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ncn(CC(=O)[O-])n1)C2=O ZINC000647781062 484069249 /nfs/dbraw/zinc/06/92/49/484069249.db2.gz ZSDKZCDFYUFQQX-RFAUZJTJSA-N -1 0 364.362 -0.198 20 0 FBADRM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ncn(CC(=O)[O-])n1)C2=O ZINC000647781063 484069545 /nfs/dbraw/zinc/06/95/45/484069545.db2.gz ZSDKZCDFYUFQQX-VFZGTOFNSA-N -1 0 364.362 -0.198 20 0 FBADRM CN1C(=O)N(CC(=O)Nc2ncn(CC(=O)[O-])n2)C(=O)C12CCCCC2 ZINC000647782268 484102031 /nfs/dbraw/zinc/10/20/31/484102031.db2.gz CPJHGXRDCXOWGY-UHFFFAOYSA-N -1 0 364.362 -0.102 20 0 FBADRM O=C([O-])Cn1cnc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)n1 ZINC000647782282 484367175 /nfs/dbraw/zinc/36/71/75/484367175.db2.gz DLRXQLCDLNQCAZ-UHFFFAOYSA-N -1 0 357.326 0.264 20 0 FBADRM CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ncn(CC(=O)[O-])n2)cc1 ZINC000647782326 484206908 /nfs/dbraw/zinc/20/69/08/484206908.db2.gz HLAOJCKDOKLQSL-UHFFFAOYSA-N -1 0 367.387 0.302 20 0 FBADRM O=C([O-])Cn1cnc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)n1 ZINC000647782338 484110721 /nfs/dbraw/zinc/11/07/21/484110721.db2.gz HYSPIGHWBUFBQY-UHFFFAOYSA-N -1 0 350.335 -0.444 20 0 FBADRM Cc1oc(C(=O)Nc2ncn(CC(=O)[O-])n2)cc1S(=O)(=O)N(C)C ZINC000647782339 484110992 /nfs/dbraw/zinc/11/09/92/484110992.db2.gz IANSEGOPUDDCCR-UHFFFAOYSA-N -1 0 357.348 -0.233 20 0 FBADRM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ncn(CC(=O)[O-])n1 ZINC000647784384 484189741 /nfs/dbraw/zinc/18/97/41/484189741.db2.gz SGWGISJXQOXZFA-JTQLQIEISA-N -1 0 359.408 -0.105 20 0 FBADRM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ncn(CC(=O)[O-])n1 ZINC000647784385 484189819 /nfs/dbraw/zinc/18/98/19/484189819.db2.gz SGWGISJXQOXZFA-SNVBAGLBSA-N -1 0 359.408 -0.105 20 0 FBADRM O=C([O-])Cn1cnc(NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)n1 ZINC000647784479 484190027 /nfs/dbraw/zinc/19/00/27/484190027.db2.gz VYTQJWCTPFXFJR-GFCCVEGCSA-N -1 0 359.342 -0.271 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ncn(CC(=O)[O-])n1 ZINC000647784534 484189790 /nfs/dbraw/zinc/18/97/90/484189790.db2.gz XQBCWRZJLZNDQM-JTQLQIEISA-N -1 0 359.408 -0.105 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ncn(CC(=O)[O-])n1 ZINC000647784535 484189235 /nfs/dbraw/zinc/18/92/35/484189235.db2.gz XQBCWRZJLZNDQM-SNVBAGLBSA-N -1 0 359.408 -0.105 20 0 FBADRM Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ncc[n-]3)CC2)no1 ZINC000647893064 484300178 /nfs/dbraw/zinc/30/01/78/484300178.db2.gz CQQLLZLKZLRRAF-UHFFFAOYSA-N -1 0 354.392 -0.349 20 0 FBADRM O=S(=O)(NCCCN1CCN(c2ncccn2)CC1)c1ncc[n-]1 ZINC000647894370 484412824 /nfs/dbraw/zinc/41/28/24/484412824.db2.gz AANDJPDDPYVNTD-UHFFFAOYSA-N -1 0 351.436 -0.310 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCC[C@@]1(COC)C(=O)[O-] ZINC000647927169 483617497 /nfs/dbraw/zinc/61/74/97/483617497.db2.gz CDQSGABLIXBCKH-CYBMUJFWSA-N -1 0 354.425 -0.608 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCC[C@]1(COC)C(=O)[O-] ZINC000647927170 483617879 /nfs/dbraw/zinc/61/78/79/483617879.db2.gz CDQSGABLIXBCKH-ZDUSSCGKSA-N -1 0 354.425 -0.608 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CCC[C@]2(COC)C(=O)[O-])cn1C ZINC000647927468 483620161 /nfs/dbraw/zinc/62/01/61/483620161.db2.gz PDOZKPRBJFGCNU-AWEZNQCLSA-N -1 0 359.404 -0.361 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CCC[C@@]2(COC)C(=O)[O-])cn1C ZINC000647927469 483620758 /nfs/dbraw/zinc/62/07/58/483620758.db2.gz PDOZKPRBJFGCNU-CQSZACIVSA-N -1 0 359.404 -0.361 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000647927557 483618718 /nfs/dbraw/zinc/61/87/18/483618718.db2.gz SUNNFUYEWKRYAU-AWEZNQCLSA-N -1 0 367.387 -0.083 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000647927558 483619285 /nfs/dbraw/zinc/61/92/85/483619285.db2.gz SUNNFUYEWKRYAU-CQSZACIVSA-N -1 0 367.387 -0.083 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cn1C ZINC000647928001 483621041 /nfs/dbraw/zinc/62/10/41/483621041.db2.gz CCMSXPBFDHNLOC-GFCCVEGCSA-N -1 0 366.399 -0.246 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cn1C ZINC000647928002 483620108 /nfs/dbraw/zinc/62/01/08/483620108.db2.gz CCMSXPBFDHNLOC-LBPRGKRZSA-N -1 0 366.399 -0.246 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC000647928345 483622156 /nfs/dbraw/zinc/62/21/56/483622156.db2.gz JRWVEDYCVLYYCH-CYBMUJFWSA-N -1 0 361.420 -0.494 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000647928346 483622543 /nfs/dbraw/zinc/62/25/43/483622543.db2.gz JRWVEDYCVLYYCH-ZDUSSCGKSA-N -1 0 361.420 -0.494 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cc1C(N)=O ZINC000647928375 483625066 /nfs/dbraw/zinc/62/50/66/483625066.db2.gz KGJYTULIQJQHOH-LLVKDONJSA-N -1 0 352.372 -0.507 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cc1C(N)=O ZINC000647928376 483624589 /nfs/dbraw/zinc/62/45/89/483624589.db2.gz KGJYTULIQJQHOH-NSHDSACASA-N -1 0 352.372 -0.507 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCN(C(=O)N3CCCCC3)CC2)nn1 ZINC000648330878 484368312 /nfs/dbraw/zinc/36/83/12/484368312.db2.gz AUSFVHIQTPDTAI-UHFFFAOYSA-N -1 0 350.379 -0.274 20 0 FBADRM C[C@@H](NC(=O)CNC(=O)CN1CCOC[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000648425168 484304738 /nfs/dbraw/zinc/30/47/38/484304738.db2.gz VEAZBXZWAHWRIY-BXUZGUMPSA-N -1 0 367.377 -0.096 20 0 FBADRM C[C@H](NC(=O)CNC(=O)CN1CCOC[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000648425169 484305749 /nfs/dbraw/zinc/30/57/49/484305749.db2.gz VEAZBXZWAHWRIY-FZMZJTMJSA-N -1 0 367.377 -0.096 20 0 FBADRM C[C@@H](NC(=O)CNC(=O)CN1CCOC[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000648425170 484305374 /nfs/dbraw/zinc/30/53/74/484305374.db2.gz VEAZBXZWAHWRIY-RISCZKNCSA-N -1 0 367.377 -0.096 20 0 FBADRM C[C@H](NC(=O)CNC(=O)CN1CCOC[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000648425171 484305074 /nfs/dbraw/zinc/30/50/74/484305074.db2.gz VEAZBXZWAHWRIY-SMDDNHRTSA-N -1 0 367.377 -0.096 20 0 FBADRM COc1cccc(NC(=O)CN(C)C(=O)CN2CCOC[C@H]2C(=O)[O-])c1 ZINC000648425640 484319742 /nfs/dbraw/zinc/31/97/42/484319742.db2.gz HSWPDSYQOWYYPL-AWEZNQCLSA-N -1 0 365.386 -0.123 20 0 FBADRM COc1cccc(NC(=O)CN(C)C(=O)CN2CCOC[C@@H]2C(=O)[O-])c1 ZINC000648425641 484319076 /nfs/dbraw/zinc/31/90/76/484319076.db2.gz HSWPDSYQOWYYPL-CQSZACIVSA-N -1 0 365.386 -0.123 20 0 FBADRM O=C(CN1CCOC[C@@H]1C(=O)[O-])NCCOc1ccc2c(c1)OCO2 ZINC000648425711 484320874 /nfs/dbraw/zinc/32/08/74/484320874.db2.gz LGFCBFQCEPOVEZ-GFCCVEGCSA-N -1 0 352.343 -0.304 20 0 FBADRM O=C(CN1CCOC[C@H]1C(=O)[O-])NCCOc1ccc2c(c1)OCO2 ZINC000648425712 484321087 /nfs/dbraw/zinc/32/10/87/484321087.db2.gz LGFCBFQCEPOVEZ-LBPRGKRZSA-N -1 0 352.343 -0.304 20 0 FBADRM NC(=O)CCN(C(=O)CN1CCOC[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000648425742 484322744 /nfs/dbraw/zinc/32/27/44/484322744.db2.gz MZTXDPFQXVMXOW-CYBMUJFWSA-N -1 0 353.350 -0.181 20 0 FBADRM NC(=O)CCN(C(=O)CN1CCOC[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000648425743 484322564 /nfs/dbraw/zinc/32/25/64/484322564.db2.gz MZTXDPFQXVMXOW-ZDUSSCGKSA-N -1 0 353.350 -0.181 20 0 FBADRM O=C([O-])[C@H]1COCCN1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000648425879 484334766 /nfs/dbraw/zinc/33/47/66/484334766.db2.gz UTCDVJWWQVZQIL-GFCCVEGCSA-N -1 0 357.313 -0.195 20 0 FBADRM O=C([O-])[C@@H]1COCCN1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000648425880 484334829 /nfs/dbraw/zinc/33/48/29/484334829.db2.gz UTCDVJWWQVZQIL-LBPRGKRZSA-N -1 0 357.313 -0.195 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CN2CCOC[C@@H]2C(=O)[O-])ccc1C ZINC000648425895 484334629 /nfs/dbraw/zinc/33/46/29/484334629.db2.gz VPFUDHWUCXNZOK-GFCCVEGCSA-N -1 0 371.415 -0.373 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CN2CCOC[C@H]2C(=O)[O-])ccc1C ZINC000648425896 484333045 /nfs/dbraw/zinc/33/30/45/484333045.db2.gz VPFUDHWUCXNZOK-LBPRGKRZSA-N -1 0 371.415 -0.373 20 0 FBADRM O=C([O-])[C@H]1COCCN1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000648426585 484374515 /nfs/dbraw/zinc/37/45/15/484374515.db2.gz GLPFMNFQMHLPLA-GFCCVEGCSA-N -1 0 367.427 -0.182 20 0 FBADRM O=C([O-])[C@@H]1COCCN1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000648426586 484374569 /nfs/dbraw/zinc/37/45/69/484374569.db2.gz GLPFMNFQMHLPLA-LBPRGKRZSA-N -1 0 367.427 -0.182 20 0 FBADRM CCN(CC(=O)NCc1cccs1)C(=O)CN1CCOC[C@@H]1C(=O)[O-] ZINC000648426684 484377825 /nfs/dbraw/zinc/37/78/25/484377825.db2.gz MWIHADRSOKVDLU-CYBMUJFWSA-N -1 0 369.443 -0.002 20 0 FBADRM CCN(CC(=O)NCc1cccs1)C(=O)CN1CCOC[C@H]1C(=O)[O-] ZINC000648426685 484377601 /nfs/dbraw/zinc/37/76/01/484377601.db2.gz MWIHADRSOKVDLU-ZDUSSCGKSA-N -1 0 369.443 -0.002 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCOC[C@@H]2C(=O)[O-])c1 ZINC000648427259 484399523 /nfs/dbraw/zinc/39/95/23/484399523.db2.gz MAXNDWQLGALLMX-CYBMUJFWSA-N -1 0 371.415 -0.339 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCOC[C@H]2C(=O)[O-])c1 ZINC000648427260 484399983 /nfs/dbraw/zinc/39/99/83/484399983.db2.gz MAXNDWQLGALLMX-ZDUSSCGKSA-N -1 0 371.415 -0.339 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000648451372 484515594 /nfs/dbraw/zinc/51/55/94/484515594.db2.gz SJIWCCXKJZAOIK-SSDOTTSWSA-N -1 0 368.820 -0.008 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000648451373 484515685 /nfs/dbraw/zinc/51/56/85/484515685.db2.gz SJIWCCXKJZAOIK-ZETCQYMHSA-N -1 0 368.820 -0.008 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)CNC(=O)c1cnc2ccccc2c1O ZINC000648451491 484515321 /nfs/dbraw/zinc/51/53/21/484515321.db2.gz YYOPUKRQRARDJP-CYBMUJFWSA-N -1 0 359.338 -0.430 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)CNC(=O)c1cnc2ccccc2c1O ZINC000648451492 484515543 /nfs/dbraw/zinc/51/55/43/484515543.db2.gz YYOPUKRQRARDJP-ZDUSSCGKSA-N -1 0 359.338 -0.430 20 0 FBADRM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCOC[C@H]1C(=O)[O-])C2=O ZINC000648451669 484515275 /nfs/dbraw/zinc/51/52/75/484515275.db2.gz BTGLMBYLMIQYRI-GDLVEWKHSA-N -1 0 353.375 -0.201 20 0 FBADRM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCOC[C@@H]1C(=O)[O-])C2=O ZINC000648451674 484515313 /nfs/dbraw/zinc/51/53/13/484515313.db2.gz BTGLMBYLMIQYRI-GLKRBJQHSA-N -1 0 353.375 -0.201 20 0 FBADRM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCOC[C@H]1C(=O)[O-])C2=O ZINC000648451676 484515229 /nfs/dbraw/zinc/51/52/29/484515229.db2.gz BTGLMBYLMIQYRI-OHUAYANFSA-N -1 0 353.375 -0.201 20 0 FBADRM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCOC[C@@H]1C(=O)[O-])C2=O ZINC000648451677 484515304 /nfs/dbraw/zinc/51/53/04/484515304.db2.gz BTGLMBYLMIQYRI-UVWXRNBGSA-N -1 0 353.375 -0.201 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)CCNS(=O)(=O)c1ccccc1F ZINC000648451748 484515422 /nfs/dbraw/zinc/51/54/22/484515422.db2.gz GANUVAWEKOHMPI-LLVKDONJSA-N -1 0 360.363 -0.194 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)CCNS(=O)(=O)c1ccccc1F ZINC000648451749 484515518 /nfs/dbraw/zinc/51/55/18/484515518.db2.gz GANUVAWEKOHMPI-NSHDSACASA-N -1 0 360.363 -0.194 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCOC[C@H]1C(=O)[O-])C2=O ZINC000648451759 484515639 /nfs/dbraw/zinc/51/56/39/484515639.db2.gz HBBFMUVVXTVXRB-CSJGVYOVSA-N -1 0 353.375 -0.201 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCOC[C@@H]1C(=O)[O-])C2=O ZINC000648451760 484515478 /nfs/dbraw/zinc/51/54/78/484515478.db2.gz HBBFMUVVXTVXRB-NOEPWBJOSA-N -1 0 353.375 -0.201 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000648451804 484515475 /nfs/dbraw/zinc/51/54/75/484515475.db2.gz LGADZRXDPOALPT-AWEZNQCLSA-N -1 0 373.365 -0.630 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000648451805 484515680 /nfs/dbraw/zinc/51/56/80/484515680.db2.gz LGADZRXDPOALPT-CQSZACIVSA-N -1 0 373.365 -0.630 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000648451825 484515242 /nfs/dbraw/zinc/51/52/42/484515242.db2.gz NICKMJJRKLKLKL-GXSJLCMTSA-N -1 0 360.363 -0.196 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000648451828 484515621 /nfs/dbraw/zinc/51/56/21/484515621.db2.gz NICKMJJRKLKLKL-ONGXEEELSA-N -1 0 360.363 -0.196 20 0 FBADRM CN1C(=O)N(CC(=O)N2CCOC[C@@H]2C(=O)[O-])C(=O)C12CCCCC2 ZINC000648451918 484515472 /nfs/dbraw/zinc/51/54/72/484515472.db2.gz VVMNIFYXUMDBRW-LLVKDONJSA-N -1 0 353.375 -0.105 20 0 FBADRM CN1C(=O)N(CC(=O)N2CCOC[C@H]2C(=O)[O-])C(=O)C12CCCCC2 ZINC000648451919 484515309 /nfs/dbraw/zinc/51/53/09/484515309.db2.gz VVMNIFYXUMDBRW-NSHDSACASA-N -1 0 353.375 -0.105 20 0 FBADRM O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NCc1nnn[n-]1 ZINC000648779367 484365279 /nfs/dbraw/zinc/36/52/79/484365279.db2.gz LWZNWNPJERVUNQ-UHFFFAOYSA-N -1 0 364.309 -0.187 20 0 FBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000648784943 484369087 /nfs/dbraw/zinc/36/90/87/484369087.db2.gz MRMMAJQOBRJQHG-LLVKDONJSA-N -1 0 353.404 -0.298 20 0 FBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000648784944 484369782 /nfs/dbraw/zinc/36/97/82/484369782.db2.gz MRMMAJQOBRJQHG-NSHDSACASA-N -1 0 353.404 -0.298 20 0 FBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000648887957 484423917 /nfs/dbraw/zinc/42/39/17/484423917.db2.gz UAJIGIXMPVAABQ-LLVKDONJSA-N -1 0 366.422 -0.377 20 0 FBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000648887958 484423873 /nfs/dbraw/zinc/42/38/73/484423873.db2.gz UAJIGIXMPVAABQ-NSHDSACASA-N -1 0 366.422 -0.377 20 0 FBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000648893067 484425678 /nfs/dbraw/zinc/42/56/78/484425678.db2.gz HCLAGNSQBRXZMD-GHMZBOCLSA-N -1 0 366.422 -0.377 20 0 FBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000648893068 484425661 /nfs/dbraw/zinc/42/56/61/484425661.db2.gz HCLAGNSQBRXZMD-MNOVXSKESA-N -1 0 366.422 -0.377 20 0 FBADRM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000648893069 484425749 /nfs/dbraw/zinc/42/57/49/484425749.db2.gz HCLAGNSQBRXZMD-QWRGUYRKSA-N -1 0 366.422 -0.377 20 0 FBADRM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000648893070 484425292 /nfs/dbraw/zinc/42/52/92/484425292.db2.gz HCLAGNSQBRXZMD-WDEREUQCSA-N -1 0 366.422 -0.377 20 0 FBADRM C[C@@H]1C(=O)N(C)CN1C(=O)c1cccc(C(=O)N2CN(C)C(=O)[C@H]2C)c1[O-] ZINC000649157857 484649451 /nfs/dbraw/zinc/64/94/51/484649451.db2.gz IIYZHGZXISMKCK-GHMZBOCLSA-N -1 0 374.397 -0.087 20 0 FBADRM C[C@@H]1C(=O)N(C)CN1C(=O)c1cccc(C(=O)N2CN(C)C(=O)[C@@H]2C)c1[O-] ZINC000649157858 484649492 /nfs/dbraw/zinc/64/94/92/484649492.db2.gz IIYZHGZXISMKCK-PHIMTYICSA-N -1 0 374.397 -0.087 20 0 FBADRM C[C@H]1C(=O)N(C)CN1C(=O)c1cccc(C(=O)N2CN(C)C(=O)[C@@H]2C)c1[O-] ZINC000649157859 484649815 /nfs/dbraw/zinc/64/98/15/484649815.db2.gz IIYZHGZXISMKCK-QWRGUYRKSA-N -1 0 374.397 -0.087 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CCN(C)S2(=O)=O)ccc1[O-] ZINC000649217370 484705456 /nfs/dbraw/zinc/70/54/56/484705456.db2.gz DHYPQLOAYVSKJG-JTQLQIEISA-N -1 0 363.417 -0.727 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@H]2CCN(C)S2(=O)=O)ccc1[O-] ZINC000649217371 484705953 /nfs/dbraw/zinc/70/59/53/484705953.db2.gz DHYPQLOAYVSKJG-SNVBAGLBSA-N -1 0 363.417 -0.727 20 0 FBADRM O=C([O-])C1(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCCC1 ZINC000649241010 484734446 /nfs/dbraw/zinc/73/44/46/484734446.db2.gz ANJFWCDEWBHPLZ-UHFFFAOYSA-N -1 0 353.419 -0.366 20 0 FBADRM O=C([O-])C1(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CCC1 ZINC000649242345 484738882 /nfs/dbraw/zinc/73/88/82/484738882.db2.gz IZTDPKJFYJLQHT-UHFFFAOYSA-N -1 0 351.359 -0.939 20 0 FBADRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000649244391 484739010 /nfs/dbraw/zinc/73/90/10/484739010.db2.gz CTZITIWLWSFAIF-NEPJUHHUSA-N -1 0 350.437 -0.004 20 0 FBADRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000649244392 484739127 /nfs/dbraw/zinc/73/91/27/484739127.db2.gz CTZITIWLWSFAIF-NWDGAFQWSA-N -1 0 350.437 -0.004 20 0 FBADRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000649244393 484738047 /nfs/dbraw/zinc/73/80/47/484738047.db2.gz CTZITIWLWSFAIF-RYUDHWBXSA-N -1 0 350.437 -0.004 20 0 FBADRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000649244394 484738353 /nfs/dbraw/zinc/73/83/53/484738353.db2.gz CTZITIWLWSFAIF-VXGBXAGGSA-N -1 0 350.437 -0.004 20 0 FBADRM CN1CC[C@H](C(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)S1(=O)=O ZINC000649245024 484738988 /nfs/dbraw/zinc/73/89/88/484738988.db2.gz IUBRTWOSYCMHMU-GFCCVEGCSA-N -1 0 369.399 -0.137 20 0 FBADRM CN1CC[C@@H](C(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)S1(=O)=O ZINC000649245025 484738581 /nfs/dbraw/zinc/73/85/81/484738581.db2.gz IUBRTWOSYCMHMU-LBPRGKRZSA-N -1 0 369.399 -0.137 20 0 FBADRM CN1CC[C@H](C(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)S1(=O)=O ZINC000649245048 484739219 /nfs/dbraw/zinc/73/92/19/484739219.db2.gz KJZQDWKMZAZTTJ-GFCCVEGCSA-N -1 0 369.399 -0.598 20 0 FBADRM CN1CC[C@@H](C(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)S1(=O)=O ZINC000649245049 484738098 /nfs/dbraw/zinc/73/80/98/484738098.db2.gz KJZQDWKMZAZTTJ-LBPRGKRZSA-N -1 0 369.399 -0.598 20 0 FBADRM CN1CC[C@H](C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)S1(=O)=O ZINC000649245132 484738979 /nfs/dbraw/zinc/73/89/79/484738979.db2.gz RRQYVPUMIUUQDH-LLVKDONJSA-N -1 0 355.372 -0.527 20 0 FBADRM CN1CC[C@@H](C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)S1(=O)=O ZINC000649245133 484738064 /nfs/dbraw/zinc/73/80/64/484738064.db2.gz RRQYVPUMIUUQDH-NSHDSACASA-N -1 0 355.372 -0.527 20 0 FBADRM CN1CC[C@H](C(=O)NCCc2ccc(OCC(=O)[O-])cc2)S1(=O)=O ZINC000649246232 484738768 /nfs/dbraw/zinc/73/87/68/484738768.db2.gz XMOSHSFKMHRXIY-CYBMUJFWSA-N -1 0 356.400 -0.157 20 0 FBADRM CN1CC[C@@H](C(=O)NCCc2ccc(OCC(=O)[O-])cc2)S1(=O)=O ZINC000649246233 484738776 /nfs/dbraw/zinc/73/87/76/484738776.db2.gz XMOSHSFKMHRXIY-ZDUSSCGKSA-N -1 0 356.400 -0.157 20 0 FBADRM CN1CC[C@@H](C(=O)NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])S1(=O)=O ZINC000649246497 484738958 /nfs/dbraw/zinc/73/89/58/484738958.db2.gz ISSGZNGNKPPNMI-NEPJUHHUSA-N -1 0 360.363 -0.192 20 0 FBADRM CN1CC[C@H](C(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])S1(=O)=O ZINC000649246498 484738673 /nfs/dbraw/zinc/73/86/73/484738673.db2.gz ISSGZNGNKPPNMI-NWDGAFQWSA-N -1 0 360.363 -0.192 20 0 FBADRM CN1CC[C@@H](C(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])S1(=O)=O ZINC000649246499 484738471 /nfs/dbraw/zinc/73/84/71/484738471.db2.gz ISSGZNGNKPPNMI-RYUDHWBXSA-N -1 0 360.363 -0.192 20 0 FBADRM CN1CC[C@H](C(=O)NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])S1(=O)=O ZINC000649246500 484738287 /nfs/dbraw/zinc/73/82/87/484738287.db2.gz ISSGZNGNKPPNMI-VXGBXAGGSA-N -1 0 360.363 -0.192 20 0 FBADRM O=C([O-])C1(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CCC1 ZINC000649248457 484738907 /nfs/dbraw/zinc/73/89/07/484738907.db2.gz QLWLTBWOOYTAQI-GFCCVEGCSA-N -1 0 360.432 -0.106 20 0 FBADRM O=C([O-])C1(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CCC1 ZINC000649248458 484738193 /nfs/dbraw/zinc/73/81/93/484738193.db2.gz QLWLTBWOOYTAQI-LBPRGKRZSA-N -1 0 360.432 -0.106 20 0 FBADRM CC(C)C[C@H](NC(=O)CNC(=O)Cc1nc(C2CC2)nn1C)C(=O)[O-] ZINC000649248771 484740317 /nfs/dbraw/zinc/74/03/17/484740317.db2.gz VKBIHYHIPZKXDX-NSHDSACASA-N -1 0 351.407 -0.033 20 0 FBADRM CN1CC[C@H](C(=O)Nc2cccc(-n3cc(C(=O)[O-])nn3)c2)S1(=O)=O ZINC000649249912 484741090 /nfs/dbraw/zinc/74/10/90/484741090.db2.gz UNXJEPZJIMVYKB-GFCCVEGCSA-N -1 0 365.371 -0.062 20 0 FBADRM CN1CC[C@@H](C(=O)Nc2cccc(-n3cc(C(=O)[O-])nn3)c2)S1(=O)=O ZINC000649249913 484740345 /nfs/dbraw/zinc/74/03/45/484740345.db2.gz UNXJEPZJIMVYKB-LBPRGKRZSA-N -1 0 365.371 -0.062 20 0 FBADRM C[C@@H](NC(=O)c1ccc(NC(=O)[C@H]2CCN(C)S2(=O)=O)cc1)C(=O)[O-] ZINC000649250591 484743903 /nfs/dbraw/zinc/74/39/03/484743903.db2.gz FERFJHSMIWTVEY-BXKDBHETSA-N -1 0 369.399 -0.138 20 0 FBADRM C[C@H](NC(=O)c1ccc(NC(=O)[C@@H]2CCN(C)S2(=O)=O)cc1)C(=O)[O-] ZINC000649250592 484743647 /nfs/dbraw/zinc/74/36/47/484743647.db2.gz FERFJHSMIWTVEY-CABZTGNLSA-N -1 0 369.399 -0.138 20 0 FBADRM C[C@H](NC(=O)c1ccc(NC(=O)[C@H]2CCN(C)S2(=O)=O)cc1)C(=O)[O-] ZINC000649250593 484743726 /nfs/dbraw/zinc/74/37/26/484743726.db2.gz FERFJHSMIWTVEY-JOYOIKCWSA-N -1 0 369.399 -0.138 20 0 FBADRM C[C@@H](NC(=O)c1ccc(NC(=O)[C@@H]2CCN(C)S2(=O)=O)cc1)C(=O)[O-] ZINC000649250594 484744667 /nfs/dbraw/zinc/74/46/67/484744667.db2.gz FERFJHSMIWTVEY-SKDRFNHKSA-N -1 0 369.399 -0.138 20 0 FBADRM CN1CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)S1(=O)=O ZINC000649251038 484747785 /nfs/dbraw/zinc/74/77/85/484747785.db2.gz GQYTVNORNNZHSE-CHWSQXEVSA-N -1 0 354.384 -0.103 20 0 FBADRM CN1CC[C@H](C(=O)N[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)S1(=O)=O ZINC000649251039 484747624 /nfs/dbraw/zinc/74/76/24/484747624.db2.gz GQYTVNORNNZHSE-OLZOCXBDSA-N -1 0 354.384 -0.103 20 0 FBADRM CN1CC[C@@H](C(=O)N[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)S1(=O)=O ZINC000649251040 484747936 /nfs/dbraw/zinc/74/79/36/484747936.db2.gz GQYTVNORNNZHSE-QWHCGFSZSA-N -1 0 354.384 -0.103 20 0 FBADRM CN1CC[C@@H](C(=O)N[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)S1(=O)=O ZINC000649251041 484747855 /nfs/dbraw/zinc/74/78/55/484747855.db2.gz GQYTVNORNNZHSE-STQMWFEESA-N -1 0 354.384 -0.103 20 0 FBADRM COc1ccc([C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C(=O)[O-])c(OC)c1 ZINC000649251390 484747263 /nfs/dbraw/zinc/74/72/63/484747263.db2.gz ZAWDDOPCMGIIHA-CHWSQXEVSA-N -1 0 372.399 -0.020 20 0 FBADRM COc1ccc([C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C(=O)[O-])c(OC)c1 ZINC000649251391 484747819 /nfs/dbraw/zinc/74/78/19/484747819.db2.gz ZAWDDOPCMGIIHA-OLZOCXBDSA-N -1 0 372.399 -0.020 20 0 FBADRM COc1ccc([C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C(=O)[O-])c(OC)c1 ZINC000649251392 484747355 /nfs/dbraw/zinc/74/73/55/484747355.db2.gz ZAWDDOPCMGIIHA-QWHCGFSZSA-N -1 0 372.399 -0.020 20 0 FBADRM COc1ccc([C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C(=O)[O-])c(OC)c1 ZINC000649251393 484747322 /nfs/dbraw/zinc/74/73/22/484747322.db2.gz ZAWDDOPCMGIIHA-STQMWFEESA-N -1 0 372.399 -0.020 20 0 FBADRM CN1CC[C@H](C(=O)N2CCC(n3cc(C(=O)[O-])cn3)CC2)S1(=O)=O ZINC000649251664 484748570 /nfs/dbraw/zinc/74/85/70/484748570.db2.gz LFDNBCODWIPARW-GFCCVEGCSA-N -1 0 356.404 -0.221 20 0 FBADRM CN1CC[C@@H](C(=O)N2CCC(n3cc(C(=O)[O-])cn3)CC2)S1(=O)=O ZINC000649251665 484748983 /nfs/dbraw/zinc/74/89/83/484748983.db2.gz LFDNBCODWIPARW-LBPRGKRZSA-N -1 0 356.404 -0.221 20 0 FBADRM CN1CC[C@H](C(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)S1(=O)=O ZINC000649253912 484755471 /nfs/dbraw/zinc/75/54/71/484755471.db2.gz SHOIDWKYISJJCY-GXSJLCMTSA-N -1 0 357.392 -0.826 20 0 FBADRM CN1CC[C@@H](C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)S1(=O)=O ZINC000649253913 484755495 /nfs/dbraw/zinc/75/54/95/484755495.db2.gz SHOIDWKYISJJCY-KOLCDFICSA-N -1 0 357.392 -0.826 20 0 FBADRM CN1CC[C@H](C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)S1(=O)=O ZINC000649253914 484755650 /nfs/dbraw/zinc/75/56/50/484755650.db2.gz SHOIDWKYISJJCY-MWLCHTKSSA-N -1 0 357.392 -0.826 20 0 FBADRM CN1CC[C@@H](C(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)S1(=O)=O ZINC000649253915 484754890 /nfs/dbraw/zinc/75/48/90/484754890.db2.gz SHOIDWKYISJJCY-ONGXEEELSA-N -1 0 357.392 -0.826 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000649254427 484755658 /nfs/dbraw/zinc/75/56/58/484755658.db2.gz HIRMLKINQZUJOC-CMPLNLGQSA-N -1 0 371.419 -0.436 20 0 FBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000649254428 484755290 /nfs/dbraw/zinc/75/52/90/484755290.db2.gz HIRMLKINQZUJOC-JQWIXIFHSA-N -1 0 371.419 -0.436 20 0 FBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000649254429 484755194 /nfs/dbraw/zinc/75/51/94/484755194.db2.gz HIRMLKINQZUJOC-PWSUYJOCSA-N -1 0 371.419 -0.436 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000649254430 484755643 /nfs/dbraw/zinc/75/56/43/484755643.db2.gz HIRMLKINQZUJOC-ZYHUDNBSSA-N -1 0 371.419 -0.436 20 0 FBADRM CC[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C(=O)[O-] ZINC000649262883 484756950 /nfs/dbraw/zinc/75/69/50/484756950.db2.gz PHHCGJZLLBPHCK-LLVKDONJSA-N -1 0 373.431 -0.113 20 0 FBADRM CC[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C(=O)[O-] ZINC000649262884 484757513 /nfs/dbraw/zinc/75/75/13/484757513.db2.gz PHHCGJZLLBPHCK-NSHDSACASA-N -1 0 373.431 -0.113 20 0 FBADRM CC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC000649262999 484757765 /nfs/dbraw/zinc/75/77/65/484757765.db2.gz RNNPGNWRIZBQJS-GXSJLCMTSA-N -1 0 360.436 -0.069 20 0 FBADRM CC[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC000649263000 484756940 /nfs/dbraw/zinc/75/69/40/484756940.db2.gz RNNPGNWRIZBQJS-KOLCDFICSA-N -1 0 360.436 -0.069 20 0 FBADRM CC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC000649263001 484756652 /nfs/dbraw/zinc/75/66/52/484756652.db2.gz RNNPGNWRIZBQJS-MWLCHTKSSA-N -1 0 360.436 -0.069 20 0 FBADRM CC[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC000649263002 484759324 /nfs/dbraw/zinc/75/93/24/484759324.db2.gz RNNPGNWRIZBQJS-ONGXEEELSA-N -1 0 360.436 -0.069 20 0 FBADRM COc1nc(NCCN2CCN(S(C)(=O)=O)CC2)ccc1C(=O)[O-] ZINC000649386782 484459457 /nfs/dbraw/zinc/45/94/57/484459457.db2.gz OLFNKLHUUIRUHI-UHFFFAOYSA-N -1 0 358.420 -0.223 20 0 FBADRM O=C([O-])c1cncc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1 ZINC000649393779 484978968 /nfs/dbraw/zinc/97/89/68/484978968.db2.gz ICWSRKSHWBOMPE-UHFFFAOYSA-N -1 0 353.360 -0.185 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(c3cncc(C(=O)[O-])n3)CC2)cn1C ZINC000649394896 484978829 /nfs/dbraw/zinc/97/88/29/484978829.db2.gz UZLKXICICSSVHJ-UHFFFAOYSA-N -1 0 366.403 -0.272 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C ZINC000649421088 484989317 /nfs/dbraw/zinc/98/93/17/484989317.db2.gz BIAIWPYRBCABIT-UHFFFAOYSA-N -1 0 364.358 -0.886 20 0 FBADRM Cc1c(C(=O)Nc2cnn(CC(=O)[O-])c2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000649421532 484986936 /nfs/dbraw/zinc/98/69/36/484986936.db2.gz GVPBDWUCASQFLX-UHFFFAOYSA-N -1 0 372.341 -0.526 20 0 FBADRM Cc1c(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000649421560 484986843 /nfs/dbraw/zinc/98/68/43/484986843.db2.gz KIDDTNCUDOGLCK-VHSXEESVSA-N -1 0 360.370 -0.076 20 0 FBADRM CS(=O)(=O)c1ccc(CNC(=O)CN2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000649449970 485003888 /nfs/dbraw/zinc/00/38/88/485003888.db2.gz VMEJZSNFUDTSRL-CYBMUJFWSA-N -1 0 356.400 -0.508 20 0 FBADRM CS(=O)(=O)c1ccc(CNC(=O)CN2CCOC[C@H]2C(=O)[O-])cc1 ZINC000649449971 485004503 /nfs/dbraw/zinc/00/45/03/485004503.db2.gz VMEJZSNFUDTSRL-ZDUSSCGKSA-N -1 0 356.400 -0.508 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC000649452195 485006939 /nfs/dbraw/zinc/00/69/39/485006939.db2.gz OIFIVHCCHPCGKO-UHFFFAOYSA-N -1 0 369.399 -0.743 20 0 FBADRM CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000649452224 485007324 /nfs/dbraw/zinc/00/73/24/485007324.db2.gz VXRITEYCTAOYEI-LLVKDONJSA-N -1 0 362.386 -0.398 20 0 FBADRM CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000649452225 485007178 /nfs/dbraw/zinc/00/71/78/485007178.db2.gz VXRITEYCTAOYEI-NSHDSACASA-N -1 0 362.386 -0.398 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)NCCN1CCOCC1 ZINC000649454156 485009434 /nfs/dbraw/zinc/00/94/34/485009434.db2.gz VMMHWETVNXFNNR-DGAVXFQQSA-N -1 0 355.435 -0.314 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)C(C)(C)C(=O)[O-])CC2)cn1 ZINC000649457236 485012415 /nfs/dbraw/zinc/01/24/15/485012415.db2.gz XIXSWBXZESMGOS-UHFFFAOYSA-N -1 0 358.420 -0.200 20 0 FBADRM COCCNS(=O)(=O)c1cccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000649457254 485011528 /nfs/dbraw/zinc/01/15/28/485011528.db2.gz YXIDDUSEUJEBLC-CHWSQXEVSA-N -1 0 356.400 -0.052 20 0 FBADRM COCCNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000649457697 485011380 /nfs/dbraw/zinc/01/13/80/485011380.db2.gz MXPOYCIVQGWJPS-CHWSQXEVSA-N -1 0 356.400 -0.052 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000649458301 485014113 /nfs/dbraw/zinc/01/41/13/485014113.db2.gz SIZAXUZAOWLNGY-XXILOJSOSA-N -1 0 369.399 -0.241 20 0 FBADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000649458975 485014104 /nfs/dbraw/zinc/01/41/04/485014104.db2.gz VFISSKOOBFGVCM-GFCCVEGCSA-N -1 0 363.436 -0.936 20 0 FBADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000649458976 485014691 /nfs/dbraw/zinc/01/46/91/485014691.db2.gz VFISSKOOBFGVCM-LBPRGKRZSA-N -1 0 363.436 -0.936 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(C)(C)C(=O)[O-])CC1 ZINC000649460908 485019703 /nfs/dbraw/zinc/01/97/03/485019703.db2.gz UYIYXQHDUKMDNO-UHFFFAOYSA-N -1 0 350.437 -0.004 20 0 FBADRM O=C([O-])c1ccc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)nc1 ZINC000649461225 484368776 /nfs/dbraw/zinc/36/87/76/484368776.db2.gz LNINCYWTMNMXMU-UHFFFAOYSA-N -1 0 359.342 0.087 20 0 FBADRM CS(=O)(=O)N1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])cn2)CC1 ZINC000649461267 485017807 /nfs/dbraw/zinc/01/78/07/485017807.db2.gz OVMHTLPNTGXIPV-VXGBXAGGSA-N -1 0 368.415 -0.178 20 0 FBADRM CS(=O)(=O)N1CCN(c2ccc(NC(=O)C3(C(=O)[O-])CC3)cn2)CC1 ZINC000649461338 485018051 /nfs/dbraw/zinc/01/80/51/485018051.db2.gz STAOEDVMPDFOTE-UHFFFAOYSA-N -1 0 368.415 -0.034 20 0 FBADRM O=C([O-])c1ccc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)nc1 ZINC000649461470 485016942 /nfs/dbraw/zinc/01/69/42/485016942.db2.gz DAEMJTZPJPYWGU-GFCCVEGCSA-N -1 0 371.415 -0.002 20 0 FBADRM O=C([O-])c1ccc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)nc1 ZINC000649461471 485017889 /nfs/dbraw/zinc/01/78/89/485017889.db2.gz DAEMJTZPJPYWGU-LBPRGKRZSA-N -1 0 371.415 -0.002 20 0 FBADRM NS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)cc1 ZINC000649462883 485019618 /nfs/dbraw/zinc/01/96/18/485019618.db2.gz DBJIJMCTZQECNH-CHWSQXEVSA-N -1 0 353.400 -0.297 20 0 FBADRM COC1(C[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)C(=O)[O-])CCC1 ZINC000649523203 485062234 /nfs/dbraw/zinc/06/22/34/485062234.db2.gz HTNCGHWUEWGHAO-LLVKDONJSA-N -1 0 365.452 -0.021 20 0 FBADRM COC1(C[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)C(=O)[O-])CCC1 ZINC000649523204 485063063 /nfs/dbraw/zinc/06/30/63/485063063.db2.gz HTNCGHWUEWGHAO-NSHDSACASA-N -1 0 365.452 -0.021 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)N[C@@H](CC1(OC)CCC1)C(=O)[O-] ZINC000649524407 485061605 /nfs/dbraw/zinc/06/16/05/485061605.db2.gz JNEVJKAUITZOJY-JTQLQIEISA-N -1 0 351.425 -0.363 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)N[C@H](CC1(OC)CCC1)C(=O)[O-] ZINC000649524408 485061334 /nfs/dbraw/zinc/06/13/34/485061334.db2.gz JNEVJKAUITZOJY-SNVBAGLBSA-N -1 0 351.425 -0.363 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)NC2(C(=O)[O-])CCSCC2)C1 ZINC000649530637 485066545 /nfs/dbraw/zinc/06/65/45/485066545.db2.gz CFAONNWYNDEPJW-SECBINFHSA-N -1 0 351.450 -0.330 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NC(=O)NC2(C(=O)[O-])CCSCC2)C1 ZINC000649530638 485066345 /nfs/dbraw/zinc/06/63/45/485066345.db2.gz CFAONNWYNDEPJW-VIFPVBQESA-N -1 0 351.450 -0.330 20 0 FBADRM COC1(C[C@@H](NC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C(=O)[O-])CCC1 ZINC000649530704 485066616 /nfs/dbraw/zinc/06/66/16/485066616.db2.gz FSLJIQRLXNSKOF-GHMZBOCLSA-N -1 0 363.436 -0.268 20 0 FBADRM COC1(C[C@H](NC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C(=O)[O-])CCC1 ZINC000649530705 485066608 /nfs/dbraw/zinc/06/66/08/485066608.db2.gz FSLJIQRLXNSKOF-MNOVXSKESA-N -1 0 363.436 -0.268 20 0 FBADRM COC1(C[C@H](NC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C(=O)[O-])CCC1 ZINC000649530706 485066470 /nfs/dbraw/zinc/06/64/70/485066470.db2.gz FSLJIQRLXNSKOF-QWRGUYRKSA-N -1 0 363.436 -0.268 20 0 FBADRM COC1(C[C@@H](NC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C(=O)[O-])CCC1 ZINC000649530707 485066456 /nfs/dbraw/zinc/06/64/56/485066456.db2.gz FSLJIQRLXNSKOF-WDEREUQCSA-N -1 0 363.436 -0.268 20 0 FBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000649530767 485066491 /nfs/dbraw/zinc/06/64/91/485066491.db2.gz IBBCZQFYXUZVKB-GHMZBOCLSA-N -1 0 351.425 -0.460 20 0 FBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000649530768 485066301 /nfs/dbraw/zinc/06/63/01/485066301.db2.gz IBBCZQFYXUZVKB-MNOVXSKESA-N -1 0 351.425 -0.460 20 0 FBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000649530769 485066129 /nfs/dbraw/zinc/06/61/29/485066129.db2.gz IBBCZQFYXUZVKB-QWRGUYRKSA-N -1 0 351.425 -0.460 20 0 FBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000649530770 485066177 /nfs/dbraw/zinc/06/61/77/485066177.db2.gz IBBCZQFYXUZVKB-WDEREUQCSA-N -1 0 351.425 -0.460 20 0 FBADRM O=C([O-])CC1(NC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCC1 ZINC000649539676 484366397 /nfs/dbraw/zinc/36/63/97/484366397.db2.gz CKTBVWZDLQVDBL-UHFFFAOYSA-N -1 0 365.390 0.261 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)n1 ZINC000649540909 484078494 /nfs/dbraw/zinc/07/84/94/484078494.db2.gz KBZFAUGMRMZEKV-KRWDZBQOSA-N -1 0 374.401 0.530 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)n1 ZINC000649540910 484078753 /nfs/dbraw/zinc/07/87/53/484078753.db2.gz KBZFAUGMRMZEKV-QGZVFWFLSA-N -1 0 374.401 0.530 20 0 FBADRM COc1nnc(NC(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)s1 ZINC000649542692 484463041 /nfs/dbraw/zinc/46/30/41/484463041.db2.gz MLJUPDIGOHKICU-MRVPVSSYSA-N -1 0 369.403 0.476 20 0 FBADRM COc1nnc(NC(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)s1 ZINC000649542693 484463148 /nfs/dbraw/zinc/46/31/48/484463148.db2.gz MLJUPDIGOHKICU-QMMMGPOBSA-N -1 0 369.403 0.476 20 0 FBADRM Cc1cc(=NC(=O)Cn2cnc(C(N)=O)n2)nc2nc(C(F)(F)F)[n-]n21 ZINC000649558217 485089940 /nfs/dbraw/zinc/08/99/40/485089940.db2.gz GDDLZDXRTJZMLE-UHFFFAOYSA-N -1 0 369.267 -0.797 20 0 FBADRM CN(C)C(=O)Cn1cnc(=NC(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)[n-]1 ZINC000650054600 483959664 /nfs/dbraw/zinc/95/96/64/483959664.db2.gz HRESPIQSMWHYLL-GHMZBOCLSA-N -1 0 352.395 -0.802 20 0 FBADRM CN(C)C(=O)Cn1cnc(=NC(=O)N2CCOC[C@@H]2c2ccnn2C)[n-]1 ZINC000650054737 483957658 /nfs/dbraw/zinc/95/76/58/483957658.db2.gz NDVHWSLWPNPHTP-GFCCVEGCSA-N -1 0 362.394 -0.873 20 0 FBADRM CN(C)C(=O)Cn1cnc(=NC(=O)N2CCOC[C@H]2c2ccnn2C)[n-]1 ZINC000650054738 483957906 /nfs/dbraw/zinc/95/79/06/483957906.db2.gz NDVHWSLWPNPHTP-LBPRGKRZSA-N -1 0 362.394 -0.873 20 0 FBADRM CN(C)C(=O)Cn1cnc(=NC(=O)N2CCn3c(CC4CC4)nnc3C2)[n-]1 ZINC000650054872 483957992 /nfs/dbraw/zinc/95/79/92/483957992.db2.gz SKASVMRCOFTOTF-UHFFFAOYSA-N -1 0 373.421 -0.620 20 0 FBADRM CN(C)C(=O)Cn1cnc(=NC(=O)N[C@@H]2CCCc3c2ccc(=O)n3C)[n-]1 ZINC000650054964 483958074 /nfs/dbraw/zinc/95/80/74/483958074.db2.gz WRABZZSJLSGVEQ-GFCCVEGCSA-N -1 0 373.417 -0.314 20 0 FBADRM CN(C)C(=O)Cn1cnc(=NC(=O)N[C@H]2CCCc3c2ccc(=O)n3C)[n-]1 ZINC000650054965 483958023 /nfs/dbraw/zinc/95/80/23/483958023.db2.gz WRABZZSJLSGVEQ-LBPRGKRZSA-N -1 0 373.417 -0.314 20 0 FBADRM CN(C)C(=O)Cn1cnc(=NC(=O)NC[C@@]2(CO)CCc3ccccc32)[n-]1 ZINC000650055002 483957503 /nfs/dbraw/zinc/95/75/03/483957503.db2.gz XYFBTQTYZRKETP-GOSISDBHSA-N -1 0 372.429 -0.214 20 0 FBADRM CN(C)C(=O)Cn1cnc(=NC(=O)NC[C@]2(CO)CCc3ccccc32)[n-]1 ZINC000650055003 483957895 /nfs/dbraw/zinc/95/78/95/483957895.db2.gz XYFBTQTYZRKETP-SFHVURJKSA-N -1 0 372.429 -0.214 20 0 FBADRM CN(C)C(=O)Cn1cnc(=NC(=O)NCc2cc(=O)n3ccccc3n2)[n-]1 ZINC000650055033 483957837 /nfs/dbraw/zinc/95/78/37/483957837.db2.gz ZHMWOWLURKAZFX-UHFFFAOYSA-N -1 0 370.373 -0.882 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)N2CCCOCC2)cc1 ZINC000650155436 483431857 /nfs/dbraw/zinc/43/18/57/483431857.db2.gz AFAODAZWAYGXAS-UHFFFAOYSA-N -1 0 357.388 -0.120 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(N)(=O)=O)CC3)cn1 ZINC000650165719 483448248 /nfs/dbraw/zinc/44/82/48/483448248.db2.gz SUSAEURKXDCNHY-UHFFFAOYSA-N -1 0 357.417 -0.213 20 0 FBADRM Cn1cc(-c2ccc(=NC(=O)N3CCN(Cc4nc[nH]n4)CC3)[n-]n2)cn1 ZINC000650167212 483453560 /nfs/dbraw/zinc/45/35/60/483453560.db2.gz DDIIJLSWKPRXRE-UHFFFAOYSA-N -1 0 368.405 -0.233 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]c1ccc(CC(=O)NCCO)cc1 ZINC000650171651 483461388 /nfs/dbraw/zinc/46/13/88/483461388.db2.gz LDPVFITZMRAKPT-UHFFFAOYSA-N -1 0 354.388 -0.153 20 0 FBADRM NC(=O)CCNC(=O)c1ccccc1[N-]S(=O)(=O)N1CCCOCC1 ZINC000650175292 483470249 /nfs/dbraw/zinc/47/02/49/483470249.db2.gz AKTJHZGTUCLQSM-UHFFFAOYSA-N -1 0 370.431 -0.329 20 0 FBADRM O=C(Cn1cc(NS(=O)(=O)N2CCCOCC2)cn1)N1CCOCC1 ZINC000650182367 483481905 /nfs/dbraw/zinc/48/19/05/483481905.db2.gz BGXOLMGRSBLOQD-UHFFFAOYSA-N -1 0 373.435 -0.879 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC000650229552 483513011 /nfs/dbraw/zinc/51/30/11/483513011.db2.gz CEAUJVHNCDMBMV-UHFFFAOYSA-N -1 0 363.413 -0.163 20 0 FBADRM Cn1ccc(S(=O)(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)n1 ZINC000650231111 483514403 /nfs/dbraw/zinc/51/44/03/483514403.db2.gz DMKBNWNFCCIUII-JTQLQIEISA-N -1 0 356.404 -0.494 20 0 FBADRM Cn1ccc(S(=O)(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)n1 ZINC000650231112 483514438 /nfs/dbraw/zinc/51/44/38/483514438.db2.gz DMKBNWNFCCIUII-SNVBAGLBSA-N -1 0 356.404 -0.494 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000650231801 483514356 /nfs/dbraw/zinc/51/43/56/483514356.db2.gz ATJCJLWNTWJQLL-RDDDGLTNSA-N -1 0 353.356 -0.157 20 0 FBADRM COC[C@@H](C)CS(=O)(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000650231869 483514122 /nfs/dbraw/zinc/51/41/22/483514122.db2.gz DFOOBQDFCUGEEB-NEPJUHHUSA-N -1 0 362.448 -0.004 20 0 FBADRM COC[C@H](C)CS(=O)(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000650231870 483514171 /nfs/dbraw/zinc/51/41/71/483514171.db2.gz DFOOBQDFCUGEEB-NWDGAFQWSA-N -1 0 362.448 -0.004 20 0 FBADRM COC[C@H](C)CS(=O)(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000650231871 483514379 /nfs/dbraw/zinc/51/43/79/483514379.db2.gz DFOOBQDFCUGEEB-RYUDHWBXSA-N -1 0 362.448 -0.004 20 0 FBADRM COC[C@@H](C)CS(=O)(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000650231872 483514314 /nfs/dbraw/zinc/51/43/14/483514314.db2.gz DFOOBQDFCUGEEB-VXGBXAGGSA-N -1 0 362.448 -0.004 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000650232684 483514595 /nfs/dbraw/zinc/51/45/95/483514595.db2.gz IZXONWAXDQLVTG-GMSGAONNSA-N -1 0 368.371 -0.340 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000650233232 483514153 /nfs/dbraw/zinc/51/41/53/483514153.db2.gz DNSMQLHIWHVCHZ-ZYHUDNBSSA-N -1 0 368.477 -0.075 20 0 FBADRM O=C([O-])CN(CC1CC1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000650234664 483515905 /nfs/dbraw/zinc/51/59/05/483515905.db2.gz LYYFYNXUSYWOJQ-UHFFFAOYSA-N -1 0 353.356 -0.298 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N(CC(=O)[O-])CC3CC3)cnc21 ZINC000650234985 483516878 /nfs/dbraw/zinc/51/68/78/483516878.db2.gz ZAVIOMSGUKIMCF-UHFFFAOYSA-N -1 0 368.371 -0.481 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](CC(=O)[O-])c2cccs2)c(=O)n(C)c1=O ZINC000650238686 483535503 /nfs/dbraw/zinc/53/55/03/483535503.db2.gz ZTOSWOBVFWCCPD-MRVPVSSYSA-N -1 0 373.412 -0.360 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2cccs2)c(=O)n(C)c1=O ZINC000650238687 483534677 /nfs/dbraw/zinc/53/46/77/483534677.db2.gz ZTOSWOBVFWCCPD-QMMMGPOBSA-N -1 0 373.412 -0.360 20 0 FBADRM COCCOCCN1CCN(C(=O)N=c2nc3n([n-]2)CCCC3)CC1 ZINC000650240595 483546702 /nfs/dbraw/zinc/54/67/02/483546702.db2.gz LTGZGHYPDWYMPG-UHFFFAOYSA-N -1 0 352.439 -0.151 20 0 FBADRM Cc1cc(C(=O)N=c2ncn(C(C)C)[n-]2)nc2c1c(=O)n(C)c(=O)n2C ZINC000650281539 483662766 /nfs/dbraw/zinc/66/27/66/483662766.db2.gz ISKKKMPUOZIPRU-UHFFFAOYSA-N -1 0 357.374 -0.213 20 0 FBADRM O=C([O-])CCN(C(=O)Cn1nc2n(c1=O)CCCC2)C1CCOCC1 ZINC000650291386 483679714 /nfs/dbraw/zinc/67/97/14/483679714.db2.gz QOKQLCQKUCWATI-UHFFFAOYSA-N -1 0 352.391 -0.137 20 0 FBADRM COc1ncc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cc1Cl ZINC000650392583 483725527 /nfs/dbraw/zinc/72/55/27/483725527.db2.gz OWYNQSUJUGHOOG-QMMMGPOBSA-N -1 0 351.768 -0.259 20 0 FBADRM NC(=O)CC[C@H](NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1)C(=O)[O-] ZINC000650392679 483725554 /nfs/dbraw/zinc/72/55/54/483725554.db2.gz YUBVQNOWVSDZGK-LBPRGKRZSA-N -1 0 369.399 -0.424 20 0 FBADRM COc1ncc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cc1Cl ZINC000650393292 483725380 /nfs/dbraw/zinc/72/53/80/483725380.db2.gz OWYNQSUJUGHOOG-MRVPVSSYSA-N -1 0 351.768 -0.259 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)s1 ZINC000650393383 483725550 /nfs/dbraw/zinc/72/55/50/483725550.db2.gz XCWUEAMUYJRUQQ-SECBINFHSA-N -1 0 359.389 -0.061 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)s1 ZINC000650393384 483725173 /nfs/dbraw/zinc/72/51/73/483725173.db2.gz XCWUEAMUYJRUQQ-VIFPVBQESA-N -1 0 359.389 -0.061 20 0 FBADRM Cn1nncc1S(=O)(=O)N[C@H](Cc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000650394374 483725271 /nfs/dbraw/zinc/72/52/71/483725271.db2.gz FEIQLMRWVLIOCT-SECBINFHSA-N -1 0 354.344 -0.482 20 0 FBADRM Cn1nncc1S(=O)(=O)N[C@@H](Cc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000650394375 483725489 /nfs/dbraw/zinc/72/54/89/483725489.db2.gz FEIQLMRWVLIOCT-VIFPVBQESA-N -1 0 354.344 -0.482 20 0 FBADRM COc1cc(C[C@@H](NS(=O)(=O)c2cnnn2C)C(=O)[O-])cc(OC)c1 ZINC000650398572 483725216 /nfs/dbraw/zinc/72/52/16/483725216.db2.gz IXGALDHOYKHMLJ-GFCCVEGCSA-N -1 0 370.387 -0.194 20 0 FBADRM COc1cc(C[C@H](NS(=O)(=O)c2cnnn2C)C(=O)[O-])cc(OC)c1 ZINC000650398573 483725162 /nfs/dbraw/zinc/72/51/62/483725162.db2.gz IXGALDHOYKHMLJ-LBPRGKRZSA-N -1 0 370.387 -0.194 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)CC1 ZINC000650412838 661972863 /nfs/dbraw/zinc/97/28/63/661972863.db2.gz IVZYCZWDOCOESV-NEPJUHHUSA-N -1 0 366.461 -0.393 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)CC1 ZINC000650412839 661972900 /nfs/dbraw/zinc/97/29/00/661972900.db2.gz IVZYCZWDOCOESV-NWDGAFQWSA-N -1 0 366.461 -0.393 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)CC1 ZINC000650412840 661972939 /nfs/dbraw/zinc/97/29/39/661972939.db2.gz IVZYCZWDOCOESV-RYUDHWBXSA-N -1 0 366.461 -0.393 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)CC1 ZINC000650412841 661972871 /nfs/dbraw/zinc/97/28/71/661972871.db2.gz IVZYCZWDOCOESV-VXGBXAGGSA-N -1 0 366.461 -0.393 20 0 FBADRM COc1ncc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cc1Cl ZINC000650412939 657418670 /nfs/dbraw/zinc/41/86/70/657418670.db2.gz VDUBXUWDFBPEJG-UHFFFAOYSA-N -1 0 361.767 -0.102 20 0 FBADRM Cn1nncc1S(=O)(=O)N[C@@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-] ZINC000650413372 661972934 /nfs/dbraw/zinc/97/29/34/661972934.db2.gz NBQMMARPTNHGDB-LURJTMIESA-N -1 0 368.297 -0.538 20 0 FBADRM Cn1nncc1S(=O)(=O)N[C@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-] ZINC000650413373 661972883 /nfs/dbraw/zinc/97/28/83/661972883.db2.gz NBQMMARPTNHGDB-ZCFIWIBFSA-N -1 0 368.297 -0.538 20 0 FBADRM Cn1nncc1S(=O)(=O)N[C@H](CN1CCCc2ccccc21)C(=O)[O-] ZINC000650413380 661972844 /nfs/dbraw/zinc/97/28/44/661972844.db2.gz PKKMJZWDXJPUJG-GFCCVEGCSA-N -1 0 365.415 -0.001 20 0 FBADRM Cn1nncc1S(=O)(=O)N[C@@H](CN1CCCc2ccccc21)C(=O)[O-] ZINC000650413381 661972917 /nfs/dbraw/zinc/97/29/17/661972917.db2.gz PKKMJZWDXJPUJG-LBPRGKRZSA-N -1 0 365.415 -0.001 20 0 FBADRM Cn1nncc1S(=O)(=O)N(CC(=O)[O-])Cc1ccc2c(c1)OCCO2 ZINC000650415723 483726373 /nfs/dbraw/zinc/72/63/73/483726373.db2.gz BHZHZRLDWBADRE-UHFFFAOYSA-N -1 0 368.371 -0.138 20 0 FBADRM Cn1nncc1S(=O)(=O)N1CCN([C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000650417273 483726250 /nfs/dbraw/zinc/72/62/50/483726250.db2.gz WPUNAYMQANFMKQ-AWEZNQCLSA-N -1 0 365.415 -0.053 20 0 FBADRM Cn1nncc1S(=O)(=O)N1CCN([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000650417274 483726570 /nfs/dbraw/zinc/72/65/70/483726570.db2.gz WPUNAYMQANFMKQ-CQSZACIVSA-N -1 0 365.415 -0.053 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000650417871 661973335 /nfs/dbraw/zinc/97/33/35/661973335.db2.gz FVNOAPBNFWIFQI-SECBINFHSA-N -1 0 368.458 -0.493 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000650417872 661973364 /nfs/dbraw/zinc/97/33/64/661973364.db2.gz FVNOAPBNFWIFQI-VIFPVBQESA-N -1 0 368.458 -0.493 20 0 FBADRM COc1ccc(F)cc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000650418052 483727152 /nfs/dbraw/zinc/72/71/52/483727152.db2.gz PXNAJTBAOADUDT-SECBINFHSA-N -1 0 367.376 -0.293 20 0 FBADRM COc1ccc(F)cc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000650418053 483727204 /nfs/dbraw/zinc/72/72/04/483727204.db2.gz PXNAJTBAOADUDT-VIFPVBQESA-N -1 0 367.376 -0.293 20 0 FBADRM Cc1c(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)coc1C(=O)N(C)C ZINC000650418399 483727185 /nfs/dbraw/zinc/72/71/85/483727185.db2.gz GDFNBTWNTQUAIK-UHFFFAOYSA-N -1 0 371.375 -0.442 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)s1 ZINC000650418416 483727078 /nfs/dbraw/zinc/72/70/78/483727078.db2.gz IJMSXNXCAAAKBG-UHFFFAOYSA-N -1 0 360.377 -0.630 20 0 FBADRM Cn1nncc1S(=O)(=O)NC(C)(C)CC(=O)NC(C)(C)CC(=O)[O-] ZINC000650418563 483727160 /nfs/dbraw/zinc/72/71/60/483727160.db2.gz BFBHZQICWRGACS-UHFFFAOYSA-N -1 0 361.424 -0.368 20 0 FBADRM COc1ncc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1Cl ZINC000650418578 483727055 /nfs/dbraw/zinc/72/70/55/483727055.db2.gz DNUJQCBITDZVIN-UHFFFAOYSA-N -1 0 351.768 -0.387 20 0 FBADRM COCc1ccc(OC)c(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c1 ZINC000650418593 483727090 /nfs/dbraw/zinc/72/70/90/483727090.db2.gz GUUROTLKOVRBIF-UHFFFAOYSA-N -1 0 360.388 -0.289 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1ncccc1C(F)(F)F ZINC000650418682 483727191 /nfs/dbraw/zinc/72/71/91/483727191.db2.gz QHMYSPDBRBVXAK-UHFFFAOYSA-N -1 0 355.294 -0.030 20 0 FBADRM Cc1c(S(=O)(=O)NCCC(=O)NCC(=O)[O-])coc1C(=O)N(C)C ZINC000650418738 483726965 /nfs/dbraw/zinc/72/69/65/483726965.db2.gz XGDUKDACUVMWCV-UHFFFAOYSA-N -1 0 361.376 -0.841 20 0 FBADRM Cn1nncc1S(=O)(=O)NC1CCN(c2ccc(C(=O)[O-])cn2)CC1 ZINC000650419910 483726984 /nfs/dbraw/zinc/72/69/84/483726984.db2.gz KIKHCRPAVVXEDC-UHFFFAOYSA-N -1 0 366.403 -0.144 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000650424623 483727321 /nfs/dbraw/zinc/72/73/21/483727321.db2.gz HMFNTMPZQCQRDQ-MRVPVSSYSA-N -1 0 356.364 -0.289 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000650424624 483727275 /nfs/dbraw/zinc/72/72/75/483727275.db2.gz HMFNTMPZQCQRDQ-QMMMGPOBSA-N -1 0 356.364 -0.289 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000650425028 483727271 /nfs/dbraw/zinc/72/72/71/483727271.db2.gz USZAGDYDZYRERJ-NXEZZACHSA-N -1 0 359.408 -0.580 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000650425029 483727022 /nfs/dbraw/zinc/72/70/22/483727022.db2.gz USZAGDYDZYRERJ-UWVGGRQHSA-N -1 0 359.408 -0.580 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000650425030 483727127 /nfs/dbraw/zinc/72/71/27/483727127.db2.gz USZAGDYDZYRERJ-VHSXEESVSA-N -1 0 359.408 -0.580 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000650425031 483727317 /nfs/dbraw/zinc/72/73/17/483727317.db2.gz USZAGDYDZYRERJ-ZJUUUORDSA-N -1 0 359.408 -0.580 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cncn2C)C1 ZINC000650425096 483727083 /nfs/dbraw/zinc/72/70/83/483727083.db2.gz WLTQQKPGDVBZFI-IUCAKERBSA-N -1 0 355.376 -0.382 20 0 FBADRM C[C@H](C(=O)[O-])C1(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000650426367 657419212 /nfs/dbraw/zinc/41/92/12/657419212.db2.gz JEZVUMYLWMNRSU-SSDOTTSWSA-N -1 0 353.356 -0.252 20 0 FBADRM C[C@@H](C(=O)[O-])C1(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000650426368 661974757 /nfs/dbraw/zinc/97/47/57/661974757.db2.gz JEZVUMYLWMNRSU-ZETCQYMHSA-N -1 0 353.356 -0.252 20 0 FBADRM C[C@H](C(=O)[O-])C1(NS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000650426820 661974860 /nfs/dbraw/zinc/97/48/60/661974860.db2.gz VDGUOEWWNAMYKO-SSDOTTSWSA-N -1 0 368.371 -0.434 20 0 FBADRM C[C@@H](C(=O)[O-])C1(NS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000650426821 661974931 /nfs/dbraw/zinc/97/49/31/661974931.db2.gz VDGUOEWWNAMYKO-ZETCQYMHSA-N -1 0 368.371 -0.434 20 0 FBADRM C[C@@H](C(=O)[O-])C1(NS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000650427130 483730059 /nfs/dbraw/zinc/73/00/59/483730059.db2.gz AMPJNJYBFKMSDU-JTQLQIEISA-N -1 0 368.477 -0.169 20 0 FBADRM C[C@H](C(=O)[O-])C1(NS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000650427131 483730385 /nfs/dbraw/zinc/73/03/85/483730385.db2.gz AMPJNJYBFKMSDU-SNVBAGLBSA-N -1 0 368.477 -0.169 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@H](Cc2ncccn2)C(=O)[O-])s1 ZINC000650428347 661974994 /nfs/dbraw/zinc/97/49/94/661974994.db2.gz JPYLTVCMJBFSLI-MRVPVSSYSA-N -1 0 371.400 -0.134 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@@H](Cc2ncccn2)C(=O)[O-])s1 ZINC000650428348 661974877 /nfs/dbraw/zinc/97/48/77/661974877.db2.gz JPYLTVCMJBFSLI-QMMMGPOBSA-N -1 0 371.400 -0.134 20 0 FBADRM O=C([O-])[C@@H](Cc1ncccn1)NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000650428469 657419743 /nfs/dbraw/zinc/41/97/43/657419743.db2.gz MEWBJSFTLOZLDN-SECBINFHSA-N -1 0 361.330 -0.088 20 0 FBADRM O=C([O-])[C@H](Cc1ncccn1)NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000650428471 657419639 /nfs/dbraw/zinc/41/96/39/657419639.db2.gz MEWBJSFTLOZLDN-VIFPVBQESA-N -1 0 361.330 -0.088 20 0 FBADRM O=C([O-])[C@@H](CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)CC1CC1 ZINC000650432002 661975372 /nfs/dbraw/zinc/97/53/72/661975372.db2.gz JTKUWCQGERFBHU-SECBINFHSA-N -1 0 367.383 -0.004 20 0 FBADRM O=C([O-])[C@H](CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)CC1CC1 ZINC000650432003 661975446 /nfs/dbraw/zinc/97/54/46/661975446.db2.gz JTKUWCQGERFBHU-VIFPVBQESA-N -1 0 367.383 -0.004 20 0 FBADRM COC1(C[C@H](NS(=O)(=O)c2cc(C(N)=O)n(C)c2)C(=O)[O-])CCC1 ZINC000650432499 661975620 /nfs/dbraw/zinc/97/56/20/661975620.db2.gz AXLABJQMGNAKCG-JTQLQIEISA-N -1 0 359.404 -0.185 20 0 FBADRM COC1(C[C@@H](NS(=O)(=O)c2cc(C(N)=O)n(C)c2)C(=O)[O-])CCC1 ZINC000650432500 661975641 /nfs/dbraw/zinc/97/56/41/661975641.db2.gz AXLABJQMGNAKCG-SNVBAGLBSA-N -1 0 359.404 -0.185 20 0 FBADRM COC1(C[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-])CCC1 ZINC000650432984 661975536 /nfs/dbraw/zinc/97/55/36/661975536.db2.gz NPWNYMALHRYOTO-JTQLQIEISA-N -1 0 357.450 -0.247 20 0 FBADRM COC1(C[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-])CCC1 ZINC000650432985 661975611 /nfs/dbraw/zinc/97/56/11/661975611.db2.gz NPWNYMALHRYOTO-SNVBAGLBSA-N -1 0 357.450 -0.247 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](CC1(OC)CCC1)C(=O)[O-] ZINC000650433429 657423729 /nfs/dbraw/zinc/42/37/29/657423729.db2.gz ZJUCCVJLGHKDFP-JTQLQIEISA-N -1 0 372.465 -0.743 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](CC1(OC)CCC1)C(=O)[O-] ZINC000650433430 661975551 /nfs/dbraw/zinc/97/55/51/661975551.db2.gz ZJUCCVJLGHKDFP-SNVBAGLBSA-N -1 0 372.465 -0.743 20 0 FBADRM O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCn2c(CC3CC3)nnc2C1 ZINC000650440668 661977078 /nfs/dbraw/zinc/97/70/78/661977078.db2.gz HRFCSYDKIZAUGY-LLVKDONJSA-N -1 0 355.420 -0.160 20 0 FBADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCn2c(CC3CC3)nnc2C1 ZINC000650440669 661976995 /nfs/dbraw/zinc/97/69/95/661976995.db2.gz HRFCSYDKIZAUGY-NSHDSACASA-N -1 0 355.420 -0.160 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCn3c(CC4CC4)nnc3C2)cn1 ZINC000650440924 661977013 /nfs/dbraw/zinc/97/70/13/661977013.db2.gz UNHWMWLRQIAMHC-UHFFFAOYSA-N -1 0 366.403 -0.284 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C[C@H](C(=O)[O-])O1 ZINC000650444653 483748203 /nfs/dbraw/zinc/74/82/03/483748203.db2.gz FGLWIJLFLNFGGX-BXKDBHETSA-N -1 0 363.413 -0.047 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)C[C@H](C(=O)[O-])O1 ZINC000650445508 483748863 /nfs/dbraw/zinc/74/88/63/483748863.db2.gz JJWNEAJLXIJXHZ-BXKDBHETSA-N -1 0 363.413 -0.047 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C[C@H](C(=O)[O-])O1 ZINC000650445534 483748602 /nfs/dbraw/zinc/74/86/02/483748602.db2.gz LBIJTZPVLFVZGD-LDYMZIIASA-N -1 0 364.401 -0.803 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2ccccc2S(C)(=O)=O)C[C@H](C(=O)[O-])O1 ZINC000650445629 483749011 /nfs/dbraw/zinc/74/90/11/483749011.db2.gz PHEZNJABZLLKNH-NXEZZACHSA-N -1 0 363.413 -0.047 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C[C@H](C(=O)[O-])O1 ZINC000650445650 483748622 /nfs/dbraw/zinc/74/86/22/483748622.db2.gz QHDNHVMHTMDUQL-LDYMZIIASA-N -1 0 364.401 -0.803 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C[C@H](C(=O)[O-])O1 ZINC000650445701 483748985 /nfs/dbraw/zinc/74/89/85/483748985.db2.gz SGRIEEDOROTYLF-BXKDBHETSA-N -1 0 353.360 -0.475 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)C[C@H](C(=O)[O-])O1 ZINC000650445810 483748615 /nfs/dbraw/zinc/74/86/15/483748615.db2.gz YTHLJWCIMYXDTO-BXKDBHETSA-N -1 0 353.360 -0.475 20 0 FBADRM COCCOCCOCCS(=O)(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000650446107 483748552 /nfs/dbraw/zinc/74/85/52/483748552.db2.gz JIFHSUJDRZAXFS-VXGBXAGGSA-N -1 0 355.409 -0.830 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)C[C@H](C(=O)[O-])O1 ZINC000650446370 483748633 /nfs/dbraw/zinc/74/86/33/483748633.db2.gz VJMUILQKQITBTD-BXKDBHETSA-N -1 0 367.387 -0.260 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C[C@H](C(=O)[O-])O1 ZINC000650446971 483748999 /nfs/dbraw/zinc/74/89/99/483748999.db2.gz RFJXDGDEDACZEL-NXEZZACHSA-N -1 0 357.450 -0.297 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000650448435 483748564 /nfs/dbraw/zinc/74/85/64/483748564.db2.gz YLYXYARNYQWMPY-WDEREUQCSA-N -1 0 354.450 -0.702 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000650448497 483748693 /nfs/dbraw/zinc/74/86/93/483748693.db2.gz ANCBKWHSYYWTOQ-QWHCGFSZSA-N -1 0 350.437 -0.131 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000650448988 483748823 /nfs/dbraw/zinc/74/88/23/483748823.db2.gz RMGBHKZZVCDHKX-NWDGAFQWSA-N -1 0 368.477 -0.360 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc3c2OCCCO3)n1 ZINC000650453639 483749194 /nfs/dbraw/zinc/74/91/94/483749194.db2.gz QVMTVMRAUCCFNX-UHFFFAOYSA-N -1 0 367.387 -0.014 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cc3c(nc2O)CCCC3)c(=O)n(C)c1=O ZINC000650483823 483760128 /nfs/dbraw/zinc/76/01/28/483760128.db2.gz OMAUPMXDOLBEPJ-UHFFFAOYSA-N -1 0 366.399 -0.136 20 0 FBADRM O=C([O-])C(=O)N1CCN(Cc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000650496874 483760840 /nfs/dbraw/zinc/76/08/40/483760840.db2.gz QCLYTBXXQCENOR-UHFFFAOYSA-N -1 0 367.427 -0.144 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2[C@@H](C)CC[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000650500910 483760966 /nfs/dbraw/zinc/76/09/66/483760966.db2.gz DCWCTMFYTBMDSL-QWRGUYRKSA-N -1 0 366.418 -0.095 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000650501620 483760783 /nfs/dbraw/zinc/76/07/83/483760783.db2.gz LOOPFIFRRMWVEV-ZIAGYGMSSA-N -1 0 368.478 -0.017 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000650503732 483760452 /nfs/dbraw/zinc/76/04/52/483760452.db2.gz WCLKCGYRHYTSPK-BXUZGUMPSA-N -1 0 369.443 -0.070 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN(CC(=O)[O-])CC2CC2)c(=O)n(C)c1=O ZINC000650509474 483760752 /nfs/dbraw/zinc/76/07/52/483760752.db2.gz AXRPVHNPMCTXRV-UHFFFAOYSA-N -1 0 366.418 -0.236 20 0 FBADRM CC(C)(C)NC(=O)CN1CCN(C(=O)CN(CC(=O)[O-])CC2CC2)CC1 ZINC000650510136 483760861 /nfs/dbraw/zinc/76/08/61/483760861.db2.gz NOTLHJVEKPYEJP-UHFFFAOYSA-N -1 0 368.478 -0.158 20 0 FBADRM CN(C)C(=O)COC1CN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC000650670614 483891489 /nfs/dbraw/zinc/89/14/89/483891489.db2.gz UXSYVISLZODXNQ-UHFFFAOYSA-N -1 0 356.400 -0.209 20 0 FBADRM CS(=O)(=O)N1CC(CNS(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1 ZINC000650672620 483891897 /nfs/dbraw/zinc/89/18/97/483891897.db2.gz VZMJCDNFASPBKW-UHFFFAOYSA-N -1 0 362.429 -0.517 20 0 FBADRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000650672671 483892224 /nfs/dbraw/zinc/89/22/24/483892224.db2.gz YYGGIYXBTPTJLX-UHFFFAOYSA-N -1 0 368.458 -0.076 20 0 FBADRM CS(=O)(=O)N1CC(CNS(=O)(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC000650672690 483892139 /nfs/dbraw/zinc/89/21/39/483892139.db2.gz ZUAYFNBULGIVOW-UHFFFAOYSA-N -1 0 362.429 -0.517 20 0 FBADRM O=C([O-])Cc1cccc(S(=O)(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)c1 ZINC000650685013 483905284 /nfs/dbraw/zinc/90/52/84/483905284.db2.gz VALNXEHFJFSXAJ-STQMWFEESA-N -1 0 354.384 -0.408 20 0 FBADRM CC(=O)NC[C@@H]1CN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)CCO1 ZINC000650693278 483914092 /nfs/dbraw/zinc/91/40/92/483914092.db2.gz PPZPSTLHKVSQNY-CYBMUJFWSA-N -1 0 356.400 -0.161 20 0 FBADRM CC(=O)NC[C@H]1CN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)CCO1 ZINC000650693279 483914101 /nfs/dbraw/zinc/91/41/01/483914101.db2.gz PPZPSTLHKVSQNY-ZDUSSCGKSA-N -1 0 356.400 -0.161 20 0 FBADRM Cn1cc(S(=O)(=O)NCC2(CS(C)(=O)=O)CC2)cc1C(=O)[O-] ZINC000650697635 483917529 /nfs/dbraw/zinc/91/75/29/483917529.db2.gz SJSUDDXQJBOPKF-UHFFFAOYSA-N -1 0 350.418 -0.174 20 0 FBADRM NC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)C1 ZINC000650700325 483919154 /nfs/dbraw/zinc/91/91/54/483919154.db2.gz CKPFJYFQZWDYHX-OCAPTIKFSA-N -1 0 356.356 -0.302 20 0 FBADRM COc1cc(S(=O)(=O)N[C@H]2C[C@@H](C(N)=O)C2)cc(C(=O)[O-])c1OC ZINC000650700429 483918422 /nfs/dbraw/zinc/91/84/22/483918422.db2.gz ISYOPFLBHZXKLH-OCAPTIKFSA-N -1 0 358.372 -0.056 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)NCC[C@]2(O)CCOC2)cc1 ZINC000650700712 483918972 /nfs/dbraw/zinc/91/89/72/483918972.db2.gz VJPJHZLADQGBAY-HNNXBMFYSA-N -1 0 372.399 -0.679 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)NCC[C@@]2(O)CCOC2)cc1 ZINC000650700713 483919231 /nfs/dbraw/zinc/91/92/31/483919231.db2.gz VJPJHZLADQGBAY-OAHLLOKOSA-N -1 0 372.399 -0.679 20 0 FBADRM NC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000650700717 483919021 /nfs/dbraw/zinc/91/90/21/483919021.db2.gz VRPGZAITROVOPF-AOOOYVTPSA-N -1 0 355.372 -0.957 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NCC[C@]2(O)CCOC2)cc2c1OCCO2 ZINC000650700747 483919481 /nfs/dbraw/zinc/91/94/81/483919481.db2.gz WIMUUJIXVDNAGM-HNNXBMFYSA-N -1 0 373.383 -0.024 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NCC[C@@]2(O)CCOC2)cc2c1OCCO2 ZINC000650700748 483918631 /nfs/dbraw/zinc/91/86/31/483918631.db2.gz WIMUUJIXVDNAGM-OAHLLOKOSA-N -1 0 373.383 -0.024 20 0 FBADRM CN1CCN(S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)CC1=O ZINC000650700814 483918429 /nfs/dbraw/zinc/91/84/29/483918429.db2.gz YRVRYFAXEFTURF-UHFFFAOYSA-N -1 0 356.356 -0.381 20 0 FBADRM O=C([O-])c1cc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)ccn1 ZINC000650765706 483975178 /nfs/dbraw/zinc/97/51/78/483975178.db2.gz CWZMXTTYROGYGV-UHFFFAOYSA-N -1 0 356.404 -0.521 20 0 FBADRM CN1CCN(S(=O)(=O)N2CCN(c3ccnc(C(=O)[O-])c3)CC2)CC1 ZINC000650766027 483977759 /nfs/dbraw/zinc/97/77/59/483977759.db2.gz PYIHSFCAYVOQET-UHFFFAOYSA-N -1 0 369.447 -0.606 20 0 FBADRM NS(=O)(=O)c1cnc(N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)s1 ZINC000650773752 483983469 /nfs/dbraw/zinc/98/34/69/483983469.db2.gz FLTYUALRPJIJPN-MRVPVSSYSA-N -1 0 374.444 -0.308 20 0 FBADRM NS(=O)(=O)c1cnc(N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)s1 ZINC000650773753 483984804 /nfs/dbraw/zinc/98/48/04/483984804.db2.gz FLTYUALRPJIJPN-QMMMGPOBSA-N -1 0 374.444 -0.308 20 0 FBADRM NS(=O)(=O)c1cccnc1N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000650773922 483985845 /nfs/dbraw/zinc/98/58/45/483985845.db2.gz JCUVBBUGUBZFJO-JTQLQIEISA-N -1 0 368.415 -0.369 20 0 FBADRM NS(=O)(=O)c1cccnc1N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000650773923 483985483 /nfs/dbraw/zinc/98/54/83/483985483.db2.gz JCUVBBUGUBZFJO-SNVBAGLBSA-N -1 0 368.415 -0.369 20 0 FBADRM Cn1ncc2c1nc(N1CCC(N3C[C@H](C(=O)[O-])CC3=O)CC1)nc2N ZINC000650775478 483988578 /nfs/dbraw/zinc/98/85/78/483988578.db2.gz VVCXKPTXXALERI-SECBINFHSA-N -1 0 359.390 -0.153 20 0 FBADRM Cn1ncc2c1nc(N1CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC1)nc2N ZINC000650775479 483987935 /nfs/dbraw/zinc/98/79/35/483987935.db2.gz VVCXKPTXXALERI-VIFPVBQESA-N -1 0 359.390 -0.153 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(c3cncc(OCCO)n3)CC2)C1 ZINC000650775480 483988118 /nfs/dbraw/zinc/98/81/18/483988118.db2.gz VXFJYFYQTMXRRI-LLVKDONJSA-N -1 0 350.375 -0.250 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(c3cncc(OCCO)n3)CC2)C1 ZINC000650775481 483988188 /nfs/dbraw/zinc/98/81/88/483988188.db2.gz VXFJYFYQTMXRRI-NSHDSACASA-N -1 0 350.375 -0.250 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)[n-]n1 ZINC000650813989 484078131 /nfs/dbraw/zinc/07/81/31/484078131.db2.gz AHCHWUYNQJOGQD-DCAQKATOSA-N -1 0 359.386 -0.240 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)[n-]n1 ZINC000650813990 484078862 /nfs/dbraw/zinc/07/88/62/484078862.db2.gz AHCHWUYNQJOGQD-GARJFASQSA-N -1 0 359.386 -0.240 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)[n-]n1 ZINC000650813991 484077432 /nfs/dbraw/zinc/07/74/32/484077432.db2.gz AHCHWUYNQJOGQD-HBNTYKKESA-N -1 0 359.386 -0.240 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)[C@@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)[n-]n1 ZINC000650813992 484078030 /nfs/dbraw/zinc/07/80/30/484078030.db2.gz AHCHWUYNQJOGQD-MXWKQRLJSA-N -1 0 359.386 -0.240 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)[n-]n1 ZINC000650814274 484078518 /nfs/dbraw/zinc/07/85/18/484078518.db2.gz JURJHFVBQVPTCB-GHMZBOCLSA-N -1 0 359.386 -0.238 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)[n-]n1 ZINC000650814275 484077397 /nfs/dbraw/zinc/07/73/97/484077397.db2.gz JURJHFVBQVPTCB-PHIMTYICSA-N -1 0 359.386 -0.238 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)[n-]n1 ZINC000650814276 484077415 /nfs/dbraw/zinc/07/74/15/484077415.db2.gz JURJHFVBQVPTCB-QWRGUYRKSA-N -1 0 359.386 -0.238 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)N=c2ccc(C(=O)NC)n[n-]2)CC1 ZINC000650814885 484076283 /nfs/dbraw/zinc/07/62/83/484076283.db2.gz AMYWQEMDIVMDMJ-UHFFFAOYSA-N -1 0 355.420 -0.742 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)[n-]n1 ZINC000650814893 484076631 /nfs/dbraw/zinc/07/66/31/484076631.db2.gz ATLRQOBNEXJIPV-UHFFFAOYSA-N -1 0 360.374 -0.549 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)[n-]n1 ZINC000650814951 484075935 /nfs/dbraw/zinc/07/59/35/484075935.db2.gz CYWUFOFLGYMGPK-UHFFFAOYSA-N -1 0 374.401 -0.207 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)CCc2c(C)nc3ncnn3c2C)[n-]n1 ZINC000650815036 484075714 /nfs/dbraw/zinc/07/57/14/484075714.db2.gz GGCJQCODTMMZMW-UHFFFAOYSA-N -1 0 354.374 -0.116 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)[n-]n1 ZINC000650815159 484076167 /nfs/dbraw/zinc/07/61/67/484076167.db2.gz KALXZJLAUICUAB-UHFFFAOYSA-N -1 0 374.401 -0.303 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)[n-]n1 ZINC000650815199 484076339 /nfs/dbraw/zinc/07/63/39/484076339.db2.gz LFXGESGUUATMTA-UHFFFAOYSA-N -1 0 360.374 -0.549 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)[n-]n1 ZINC000650815540 484078462 /nfs/dbraw/zinc/07/84/62/484078462.db2.gz UXERENDSDGHVLO-BMLIUANNSA-N -1 0 374.401 -0.303 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)[n-]n1 ZINC000650815541 484078041 /nfs/dbraw/zinc/07/80/41/484078041.db2.gz UXERENDSDGHVLO-BTDLBPIBSA-N -1 0 374.401 -0.303 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)[n-]n1 ZINC000650815542 484078006 /nfs/dbraw/zinc/07/80/06/484078006.db2.gz UXERENDSDGHVLO-DYZYQPBXSA-N -1 0 374.401 -0.303 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)[n-]n1 ZINC000650815543 484078245 /nfs/dbraw/zinc/07/82/45/484078245.db2.gz UXERENDSDGHVLO-QGHHPUGFSA-N -1 0 374.401 -0.303 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)[n-]n1 ZINC000650815794 484077797 /nfs/dbraw/zinc/07/77/97/484077797.db2.gz BHUSUCSZDIAEGH-LLVKDONJSA-N -1 0 354.370 -0.360 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)[n-]n1 ZINC000650815795 484078692 /nfs/dbraw/zinc/07/86/92/484078692.db2.gz BHUSUCSZDIAEGH-NSHDSACASA-N -1 0 354.370 -0.360 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)CCCS(=O)(=O)N2CCCC2)[n-]n1 ZINC000650815968 484077378 /nfs/dbraw/zinc/07/73/78/484077378.db2.gz FUXQMXAXAURQCP-UHFFFAOYSA-N -1 0 355.420 -0.598 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N=c2ccc(C(=O)NC)n[n-]2)C1 ZINC000650815973 484078196 /nfs/dbraw/zinc/07/81/96/484078196.db2.gz GCLQOGGUSAECOL-JTQLQIEISA-N -1 0 355.420 -0.742 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N=c2ccc(C(=O)NC)n[n-]2)C1 ZINC000650815974 484078217 /nfs/dbraw/zinc/07/82/17/484078217.db2.gz GCLQOGGUSAECOL-SNVBAGLBSA-N -1 0 355.420 -0.742 20 0 FBADRM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N=c1ccc(C(=O)NC)n[n-]1 ZINC000650816051 484078812 /nfs/dbraw/zinc/07/88/12/484078812.db2.gz HXVMBOLZKMNJIT-GFCCVEGCSA-N -1 0 369.447 -0.209 20 0 FBADRM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N=c1ccc(C(=O)NC)n[n-]1 ZINC000650816052 484078602 /nfs/dbraw/zinc/07/86/02/484078602.db2.gz HXVMBOLZKMNJIT-LBPRGKRZSA-N -1 0 369.447 -0.209 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N=c1ccc(C(=O)NC)n[n-]1 ZINC000650816179 484078741 /nfs/dbraw/zinc/07/87/41/484078741.db2.gz NCGYYGGKFAHTAF-GFCCVEGCSA-N -1 0 369.447 -0.209 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N=c1ccc(C(=O)NC)n[n-]1 ZINC000650816180 484077643 /nfs/dbraw/zinc/07/76/43/484077643.db2.gz NCGYYGGKFAHTAF-LBPRGKRZSA-N -1 0 369.447 -0.209 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)[n-]n1 ZINC000650816664 484078835 /nfs/dbraw/zinc/07/88/35/484078835.db2.gz CEKBLLGPMYPEBH-UHFFFAOYSA-N -1 0 355.358 -0.196 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)[n-]n1 ZINC000650817239 484077312 /nfs/dbraw/zinc/07/73/12/484077312.db2.gz XGZDJGQDGLCULE-SECBINFHSA-N -1 0 360.374 -0.550 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)[n-]n1 ZINC000650817240 484077625 /nfs/dbraw/zinc/07/76/25/484077625.db2.gz XGZDJGQDGLCULE-VIFPVBQESA-N -1 0 360.374 -0.550 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)[n-]n1 ZINC000650817307 484078326 /nfs/dbraw/zinc/07/83/26/484078326.db2.gz YTCYVQAYBKICMR-CQSZACIVSA-N -1 0 369.381 -0.376 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)[n-]n1 ZINC000650817719 484078230 /nfs/dbraw/zinc/07/82/30/484078230.db2.gz LUJANFYAFGNKHJ-UHFFFAOYSA-N -1 0 367.387 -0.338 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)[n-]n1 ZINC000650817721 484077912 /nfs/dbraw/zinc/07/79/12/484077912.db2.gz LWHNLOZFKWASQT-GFCCVEGCSA-N -1 0 355.420 -0.743 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)[n-]n1 ZINC000650817722 484078423 /nfs/dbraw/zinc/07/84/23/484078423.db2.gz LWHNLOZFKWASQT-LBPRGKRZSA-N -1 0 355.420 -0.743 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)[n-]n1 ZINC000650818102 484078876 /nfs/dbraw/zinc/07/88/76/484078876.db2.gz XLQUYJWNQXDKSG-UHFFFAOYSA-N -1 0 367.387 -0.338 20 0 FBADRM CNC(=O)c1ccc(=NC(=O)C(C)(C)NC(=O)COC(C)(C)C)[n-]n1 ZINC000650819236 484077988 /nfs/dbraw/zinc/07/79/88/484077988.db2.gz MTKVXUQGCJVFDK-UHFFFAOYSA-N -1 0 351.407 -0.094 20 0 FBADRM Cc1nn(C)c2ncc(NC(=O)c3nc(N4CCOCC4)nc(=N)[n-]3)cc12 ZINC000651053218 483435188 /nfs/dbraw/zinc/43/51/88/483435188.db2.gz IAEJCBFXODJOQI-UHFFFAOYSA-N -1 0 369.389 -0.037 20 0 FBADRM N=c1nc(N2CCOCC2)nc(C(=O)NCc2cn3ccsc3n2)[n-]1 ZINC000651072185 483437610 /nfs/dbraw/zinc/43/76/10/483437610.db2.gz JBHCEBNSFXIDPB-UHFFFAOYSA-N -1 0 360.403 -0.240 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)Cn2nc3n(c2=O)CCCC3)s1 ZINC000651164062 483445759 /nfs/dbraw/zinc/44/57/59/483445759.db2.gz HJMPPNHTOXLDHR-UHFFFAOYSA-N -1 0 373.420 -0.757 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)C=C([O-])c2cn(C)nn2)cc1 ZINC000651198302 483449071 /nfs/dbraw/zinc/44/90/71/483449071.db2.gz XVPQKAWOQXRRNI-UHFFFAOYSA-N -1 0 372.428 -0.278 20 0 FBADRM CN(C)S(=O)(=O)N(C)CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000651235880 483452673 /nfs/dbraw/zinc/45/26/73/483452673.db2.gz NQEGUUXGRZPMGJ-UHFFFAOYSA-N -1 0 355.376 -0.293 20 0 FBADRM Cc1ccn2c(c1)n[n-]c2=NC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000651477897 483532600 /nfs/dbraw/zinc/53/26/00/483532600.db2.gz MOFYIRZLCYVBCK-UHFFFAOYSA-N -1 0 355.362 -0.854 20 0 FBADRM COc1cccc(C(=O)NCCNC(=O)C(=O)N=c2ncn(C(C)C)[n-]2)c1 ZINC000651500599 483539083 /nfs/dbraw/zinc/53/90/83/483539083.db2.gz QGNCRFFESZQVNQ-UHFFFAOYSA-N -1 0 374.401 -0.226 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N=c1ncn(C(C)C)[n-]1)N1CCOCC1 ZINC000651500634 483539790 /nfs/dbraw/zinc/53/97/90/483539790.db2.gz QUCDSZFWGOCGAD-CYBMUJFWSA-N -1 0 352.439 -0.308 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N=c1ncn(C(C)C)[n-]1)N1CCOCC1 ZINC000651500635 483539436 /nfs/dbraw/zinc/53/94/36/483539436.db2.gz QUCDSZFWGOCGAD-ZDUSSCGKSA-N -1 0 352.439 -0.308 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)[n-]1 ZINC000651500743 483539304 /nfs/dbraw/zinc/53/93/04/483539304.db2.gz UGJFZFWXHQMLHE-BETUJISGSA-N -1 0 352.439 -0.165 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)[n-]1 ZINC000651500744 483539257 /nfs/dbraw/zinc/53/92/57/483539257.db2.gz UGJFZFWXHQMLHE-CHWSQXEVSA-N -1 0 352.439 -0.165 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)[n-]1 ZINC000651500745 483539612 /nfs/dbraw/zinc/53/96/12/483539612.db2.gz UGJFZFWXHQMLHE-STQMWFEESA-N -1 0 352.439 -0.165 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)[n-]1 ZINC000651508624 483541622 /nfs/dbraw/zinc/54/16/22/483541622.db2.gz YJQITEPJBFXSME-CYBMUJFWSA-N -1 0 362.434 -0.016 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)[n-]1 ZINC000651508625 483542370 /nfs/dbraw/zinc/54/23/70/483542370.db2.gz YJQITEPJBFXSME-ZDUSSCGKSA-N -1 0 362.434 -0.016 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)[n-]1 ZINC000651510439 483540614 /nfs/dbraw/zinc/54/06/14/483540614.db2.gz MACDQCMJUJLQCI-UHFFFAOYSA-N -1 0 360.374 -0.203 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)[n-]1 ZINC000651513344 483541986 /nfs/dbraw/zinc/54/19/86/483541986.db2.gz UPNQJRNZOHFJBB-GFCCVEGCSA-N -1 0 364.406 -0.931 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)[n-]1 ZINC000651513345 483542208 /nfs/dbraw/zinc/54/22/08/483542208.db2.gz UPNQJRNZOHFJBB-LBPRGKRZSA-N -1 0 364.406 -0.931 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(Cc3ccncc3)CC2)[n-]1 ZINC000651514289 483542381 /nfs/dbraw/zinc/54/23/81/483542381.db2.gz YZDAFCJXSAKWHR-UHFFFAOYSA-N -1 0 357.418 -0.041 20 0 FBADRM Cc1cc(CN2CCN(C(=O)C(=O)N=c3ncn(C(C)C)[n-]3)CC2)no1 ZINC000651515884 483541691 /nfs/dbraw/zinc/54/16/91/483541691.db2.gz ZOOLNTRIJKZUMH-UHFFFAOYSA-N -1 0 361.406 -0.140 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(C(=O)c3cccn3C)CC2)[n-]1 ZINC000651516863 483544186 /nfs/dbraw/zinc/54/41/86/483544186.db2.gz KGYVBQVETOVWRI-UHFFFAOYSA-N -1 0 373.417 -0.458 20 0 FBADRM Cc1cc(CN2CCN(C(=O)C(=O)N=c3ncn(C(C)C)[n-]3)CC2)on1 ZINC000651517098 483545172 /nfs/dbraw/zinc/54/51/72/483545172.db2.gz UYQITLWUOJGGKU-UHFFFAOYSA-N -1 0 361.406 -0.140 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(Cc3cccnc3)CC2)[n-]1 ZINC000651517299 483544413 /nfs/dbraw/zinc/54/44/13/483544413.db2.gz FPRIHRQSRNILDX-UHFFFAOYSA-N -1 0 357.418 -0.041 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)[n-]1 ZINC000651517433 483545204 /nfs/dbraw/zinc/54/52/04/483545204.db2.gz KUZBAUYGLGMZKJ-UHFFFAOYSA-N -1 0 363.422 -0.421 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(C(=O)C(C)(C)C)CC2)[n-]1 ZINC000651518796 483542986 /nfs/dbraw/zinc/54/29/86/483542986.db2.gz QXSOTUPNBCSEDA-UHFFFAOYSA-N -1 0 350.423 -0.064 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)[n-]1 ZINC000651518862 483543173 /nfs/dbraw/zinc/54/31/73/483543173.db2.gz UOOBRBDDXOHJHK-AWEZNQCLSA-N -1 0 364.450 -0.067 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCCN(C[C@H]3CCCO3)CC2)[n-]1 ZINC000651518863 483543027 /nfs/dbraw/zinc/54/30/27/483543027.db2.gz UOOBRBDDXOHJHK-CQSZACIVSA-N -1 0 364.450 -0.067 20 0 FBADRM CCN(CC)C(=O)N1CCN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)CC1 ZINC000651520672 483544317 /nfs/dbraw/zinc/54/43/17/483544317.db2.gz JXJFSTYPWUPFAS-UHFFFAOYSA-N -1 0 365.438 -0.175 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCC(CN3CCOCC3)CC2)[n-]1 ZINC000651521252 483545071 /nfs/dbraw/zinc/54/50/71/483545071.db2.gz HODUFBUUPMHWLU-UHFFFAOYSA-N -1 0 364.450 -0.210 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)NCCNC(=O)c2cccs2)[n-]1 ZINC000651522797 483546060 /nfs/dbraw/zinc/54/60/60/483546060.db2.gz VIQMEQZNNXNHFM-UHFFFAOYSA-N -1 0 350.404 -0.173 20 0 FBADRM COc1ccc(C(=O)NCCNC(=O)C(=O)N=c2ncn(C(C)C)[n-]2)cc1 ZINC000651527540 483573090 /nfs/dbraw/zinc/57/30/90/483573090.db2.gz QRKUOWGUMOBKNO-UHFFFAOYSA-N -1 0 374.401 -0.226 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)NCCNC(=O)c2ccccc2F)[n-]1 ZINC000651531122 483573857 /nfs/dbraw/zinc/57/38/57/483573857.db2.gz WAGWCWJLLFBLLH-UHFFFAOYSA-N -1 0 362.365 -0.095 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)NCC(=O)N(C)Cc2ccccc2)[n-]1 ZINC000651531500 483574445 /nfs/dbraw/zinc/57/44/45/483574445.db2.gz MNCMTKXISZUYIR-UHFFFAOYSA-N -1 0 358.402 -0.006 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)[n-]1 ZINC000651531707 483575089 /nfs/dbraw/zinc/57/50/89/483575089.db2.gz VFJAQGWWNMSGQZ-CYBMUJFWSA-N -1 0 350.423 -0.457 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)[n-]1 ZINC000651531708 483575455 /nfs/dbraw/zinc/57/54/55/483575455.db2.gz VFJAQGWWNMSGQZ-ZDUSSCGKSA-N -1 0 350.423 -0.457 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)[n-]1 ZINC000651532030 483575364 /nfs/dbraw/zinc/57/53/64/483575364.db2.gz DHYAFALAAOBIPG-UHFFFAOYSA-N -1 0 370.369 -0.368 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)NCCNC(=O)c2ccc(F)cc2)[n-]1 ZINC000651533940 483574386 /nfs/dbraw/zinc/57/43/86/483574386.db2.gz SAJVSSPXGNIFCO-UHFFFAOYSA-N -1 0 362.365 -0.095 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)NC[C@@H](O)COc2ccc(F)cc2)[n-]1 ZINC000651534531 483574588 /nfs/dbraw/zinc/57/45/88/483574588.db2.gz NOWWWYHNBHCYEB-GFCCVEGCSA-N -1 0 365.365 -0.085 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)NC[C@H](O)COc2ccc(F)cc2)[n-]1 ZINC000651534532 483575293 /nfs/dbraw/zinc/57/52/93/483575293.db2.gz NOWWWYHNBHCYEB-LBPRGKRZSA-N -1 0 365.365 -0.085 20 0 FBADRM COc1ccc(CNC(=O)CNC(=O)C(=O)N=c2ncn(C(C)C)[n-]2)cc1 ZINC000651536057 483576810 /nfs/dbraw/zinc/57/68/10/483576810.db2.gz HPDCYHJXBQZHPU-UHFFFAOYSA-N -1 0 374.401 -0.339 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)NCC(=O)NCCc2ccccc2)[n-]1 ZINC000651547708 483585780 /nfs/dbraw/zinc/58/57/80/483585780.db2.gz UDGZZYPUYMAJIP-UHFFFAOYSA-N -1 0 358.402 -0.306 20 0 FBADRM CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)C1 ZINC000651548238 483588632 /nfs/dbraw/zinc/58/86/32/483588632.db2.gz SAFFBWUUCSOHLO-GFCCVEGCSA-N -1 0 350.423 -0.016 20 0 FBADRM CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)C1 ZINC000651548239 483588468 /nfs/dbraw/zinc/58/84/68/483588468.db2.gz SAFFBWUUCSOHLO-LBPRGKRZSA-N -1 0 350.423 -0.016 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCNC(=O)[C@H]2c2ccccc2)[n-]1 ZINC000651549646 483589265 /nfs/dbraw/zinc/58/92/65/483589265.db2.gz WCSKQEIAJDJNCH-CYBMUJFWSA-N -1 0 356.386 -0.081 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)[n-]1 ZINC000651549647 483589691 /nfs/dbraw/zinc/58/96/91/483589691.db2.gz WCSKQEIAJDJNCH-ZDUSSCGKSA-N -1 0 356.386 -0.081 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)NCCN2C(=O)Cc3ccccc32)[n-]1 ZINC000651551949 483591630 /nfs/dbraw/zinc/59/16/30/483591630.db2.gz UCDVIGNQUKPMIA-UHFFFAOYSA-N -1 0 356.386 -0.075 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)NCC(=O)N2CCc3ccccc32)[n-]1 ZINC000651553195 483593631 /nfs/dbraw/zinc/59/36/31/483593631.db2.gz JEKVCMRAFLVRPO-UHFFFAOYSA-N -1 0 356.386 -0.075 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)NCCn2c3ccccc3oc2=O)[n-]1 ZINC000651559396 483597997 /nfs/dbraw/zinc/59/79/97/483597997.db2.gz WNQZWQIIORUJQB-UHFFFAOYSA-N -1 0 358.358 -0.056 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(Cc3cnn(C)c3)CC2)[n-]1 ZINC000651559443 483597441 /nfs/dbraw/zinc/59/74/41/483597441.db2.gz ZBAYIFPNWADHAO-UHFFFAOYSA-N -1 0 360.422 -0.703 20 0 FBADRM O=C(N[C@@H](CO)C(=O)N1CCC[C@H](c2nnn[n-]2)C1)c1ccc(F)cc1 ZINC000651561281 483599114 /nfs/dbraw/zinc/59/91/14/483599114.db2.gz FOWKTTVPUKZODH-AAEUAGOBSA-N -1 0 362.365 -0.164 20 0 FBADRM O=C(N[C@@H](CO)C(=O)N1CCC[C@@H](c2nnn[n-]2)C1)c1ccc(F)cc1 ZINC000651561282 483599400 /nfs/dbraw/zinc/59/94/00/483599400.db2.gz FOWKTTVPUKZODH-YPMHNXCESA-N -1 0 362.365 -0.164 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)[n-]1 ZINC000651563401 483600133 /nfs/dbraw/zinc/60/01/33/483600133.db2.gz UNSQOLBFTOFJRX-UHFFFAOYSA-N -1 0 372.451 -0.945 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)NCC2(C(=O)N(C)C)CCCC2)[n-]1 ZINC000651568899 483603372 /nfs/dbraw/zinc/60/33/72/483603372.db2.gz AYZKFESEQNPGDT-UHFFFAOYSA-N -1 0 350.423 -0.016 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(CC3CCOCC3)CC2)[n-]1 ZINC000651576471 483606324 /nfs/dbraw/zinc/60/63/24/483606324.db2.gz HSSVEBAPSIMSNO-UHFFFAOYSA-N -1 0 364.450 -0.210 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)NCCCNC(=O)c2cccc(O)c2)[n-]1 ZINC000651579055 483608138 /nfs/dbraw/zinc/60/81/38/483608138.db2.gz NPNKKSVFBSXIIJ-UHFFFAOYSA-N -1 0 374.401 -0.139 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)NCC(=O)N2CCc3ccccc3C2)[n-]1 ZINC000651579709 483609606 /nfs/dbraw/zinc/60/96/06/483609606.db2.gz LVBBNXOEZYRCOV-UHFFFAOYSA-N -1 0 370.413 -0.080 20 0 FBADRM COc1ccnc(N2CCN(C(=O)C(=O)N=c3ncn(C(C)C)[n-]3)CC2)n1 ZINC000651601802 483629682 /nfs/dbraw/zinc/62/96/82/483629682.db2.gz QXPBFVYXSZCFGM-UHFFFAOYSA-N -1 0 374.405 -0.633 20 0 FBADRM CC(C)[C@H](NC(=O)C(=O)N=c1ncn(C(C)C)[n-]1)C(=O)N1CCCC1 ZINC000651606724 483635326 /nfs/dbraw/zinc/63/53/26/483635326.db2.gz WDFXVKHGQIWADD-LBPRGKRZSA-N -1 0 350.423 -0.017 20 0 FBADRM CC(C)OCCN1CCN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)CC1 ZINC000651607222 483636144 /nfs/dbraw/zinc/63/61/44/483636144.db2.gz HRUSWYVFZRKXJZ-UHFFFAOYSA-N -1 0 352.439 -0.211 20 0 FBADRM CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C(=O)N=c1ncn(C(C)C)[n-]1)CC2 ZINC000651607536 483636881 /nfs/dbraw/zinc/63/68/81/483636881.db2.gz VVXGOBIBZZEAOI-CHWSQXEVSA-N -1 0 365.434 -0.002 20 0 FBADRM CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C(=O)N=c1ncn(C(C)C)[n-]1)CC2 ZINC000651607537 483636435 /nfs/dbraw/zinc/63/64/35/483636435.db2.gz VVXGOBIBZZEAOI-OLZOCXBDSA-N -1 0 365.434 -0.002 20 0 FBADRM CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(=O)N=c1ncn(C(C)C)[n-]1)CC2 ZINC000651607538 483636177 /nfs/dbraw/zinc/63/61/77/483636177.db2.gz VVXGOBIBZZEAOI-QWHCGFSZSA-N -1 0 365.434 -0.002 20 0 FBADRM CCO[C@H]1C[C@H](O)C12CCN(C(=O)C(=O)N=c1ncn(C(C)C)[n-]1)CC2 ZINC000651607539 483636216 /nfs/dbraw/zinc/63/62/16/483636216.db2.gz VVXGOBIBZZEAOI-STQMWFEESA-N -1 0 365.434 -0.002 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)[n-]1 ZINC000651609713 483641166 /nfs/dbraw/zinc/64/11/66/483641166.db2.gz IXKUHMQLSHEPRM-CYBMUJFWSA-N -1 0 350.423 -0.600 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)[n-]1 ZINC000651609714 483640686 /nfs/dbraw/zinc/64/06/86/483640686.db2.gz IXKUHMQLSHEPRM-ZDUSSCGKSA-N -1 0 350.423 -0.600 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)[n-]1 ZINC000651624595 483646011 /nfs/dbraw/zinc/64/60/11/483646011.db2.gz YWNDXLBFMCGMET-KBPBESRZSA-N -1 0 364.450 -0.021 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)[n-]1 ZINC000651624596 483645918 /nfs/dbraw/zinc/64/59/18/483645918.db2.gz YWNDXLBFMCGMET-KGLIPLIRSA-N -1 0 364.450 -0.021 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)[n-]1 ZINC000651624597 483645417 /nfs/dbraw/zinc/64/54/17/483645417.db2.gz YWNDXLBFMCGMET-UONOGXRCSA-N -1 0 364.450 -0.021 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)[n-]1 ZINC000651624598 483646211 /nfs/dbraw/zinc/64/62/11/483646211.db2.gz YWNDXLBFMCGMET-ZIAGYGMSSA-N -1 0 364.450 -0.021 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)[n-]1 ZINC000651649715 483662545 /nfs/dbraw/zinc/66/25/45/483662545.db2.gz RXDDORYDDPNZBP-CHWSQXEVSA-N -1 0 350.423 -0.723 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)[n-]1 ZINC000651649716 483662409 /nfs/dbraw/zinc/66/24/09/483662409.db2.gz RXDDORYDDPNZBP-OLZOCXBDSA-N -1 0 350.423 -0.723 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)[n-]1 ZINC000651649717 483662739 /nfs/dbraw/zinc/66/27/39/483662739.db2.gz RXDDORYDDPNZBP-QWHCGFSZSA-N -1 0 350.423 -0.723 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)[n-]1 ZINC000651649718 483662514 /nfs/dbraw/zinc/66/25/14/483662514.db2.gz RXDDORYDDPNZBP-STQMWFEESA-N -1 0 350.423 -0.723 20 0 FBADRM Cc1nccc(N2CCN(C(=O)C(=O)N=c3ncn(C(C)C)[n-]3)CC2)n1 ZINC000651664182 483669262 /nfs/dbraw/zinc/66/92/62/483669262.db2.gz GUAVBYXACYNPMQ-UHFFFAOYSA-N -1 0 358.406 -0.333 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)[n-]1 ZINC000651664729 483669317 /nfs/dbraw/zinc/66/93/17/483669317.db2.gz ZSMVKDPQHNJFRC-UHFFFAOYSA-N -1 0 362.369 -0.503 20 0 FBADRM COc1cc(N2CCN(C(=O)C(=O)N=c3ncn(C(C)C)[n-]3)CC2)ncn1 ZINC000651671950 483670937 /nfs/dbraw/zinc/67/09/37/483670937.db2.gz JYSITDCPODNYTN-UHFFFAOYSA-N -1 0 374.405 -0.633 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)[n-]1 ZINC000651678236 483671683 /nfs/dbraw/zinc/67/16/83/483671683.db2.gz HXAGGHHGSKXYQB-UHFFFAOYSA-N -1 0 365.438 -0.128 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCC[C@@H]2CN2CCOCC2)[n-]1 ZINC000651685463 483672978 /nfs/dbraw/zinc/67/29/78/483672978.db2.gz UMNLDHYKBZOJCJ-CYBMUJFWSA-N -1 0 350.423 -0.457 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)[n-]1 ZINC000651685464 483672966 /nfs/dbraw/zinc/67/29/66/483672966.db2.gz UMNLDHYKBZOJCJ-ZDUSSCGKSA-N -1 0 350.423 -0.457 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)[n-]1 ZINC000651687070 483673037 /nfs/dbraw/zinc/67/30/37/483673037.db2.gz VMYWKCYRVDVJKD-GFCCVEGCSA-N -1 0 352.439 -0.477 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)[n-]1 ZINC000651687071 483672886 /nfs/dbraw/zinc/67/28/86/483672886.db2.gz VMYWKCYRVDVJKD-LBPRGKRZSA-N -1 0 352.439 -0.477 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CC(=O)NC(=O)C23CCCCC3)[n-]1 ZINC000651689994 483673349 /nfs/dbraw/zinc/67/33/49/483673349.db2.gz MQAGTWPCUXDUML-UHFFFAOYSA-N -1 0 362.390 -0.593 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(Cc3ccccn3)CC2)[n-]1 ZINC000651690448 483674829 /nfs/dbraw/zinc/67/48/29/483674829.db2.gz GDKHZUNYTIJGMP-UHFFFAOYSA-N -1 0 357.418 -0.041 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCCC[C@H]2CN2CCOCC2)[n-]1 ZINC000651703948 483679295 /nfs/dbraw/zinc/67/92/95/483679295.db2.gz ROXAUONSZSJEJN-AWEZNQCLSA-N -1 0 364.450 -0.067 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCCC[C@@H]2CN2CCOCC2)[n-]1 ZINC000651703949 483679392 /nfs/dbraw/zinc/67/93/92/483679392.db2.gz ROXAUONSZSJEJN-CQSZACIVSA-N -1 0 364.450 -0.067 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N(CCO)CCOCC(F)(F)F)[n-]1 ZINC000651709415 483679056 /nfs/dbraw/zinc/67/90/56/483679056.db2.gz WLLYJTBYOLXIPA-UHFFFAOYSA-N -1 0 367.328 -0.381 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N(C)CC(=O)NCc2ccccc2)[n-]1 ZINC000651717266 483681518 /nfs/dbraw/zinc/68/15/18/483681518.db2.gz ZBDGCRVAGOGBPM-UHFFFAOYSA-N -1 0 358.402 -0.006 20 0 FBADRM CC(C)CN1CCN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)[C@H](C)C1=O ZINC000651717671 483681528 /nfs/dbraw/zinc/68/15/28/483681528.db2.gz OBOUMNXSEDUPFY-GFCCVEGCSA-N -1 0 350.423 -0.065 20 0 FBADRM CC(C)CN1CCN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)[C@@H](C)C1=O ZINC000651717672 483681355 /nfs/dbraw/zinc/68/13/55/483681355.db2.gz OBOUMNXSEDUPFY-LBPRGKRZSA-N -1 0 350.423 -0.065 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCNC(=O)[C@H]2c2cccs2)[n-]1 ZINC000651718544 483680819 /nfs/dbraw/zinc/68/08/19/483680819.db2.gz RICGEAFNTMLJPE-LLVKDONJSA-N -1 0 362.415 -0.019 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2cccs2)[n-]1 ZINC000651718545 483680896 /nfs/dbraw/zinc/68/08/96/483680896.db2.gz RICGEAFNTMLJPE-NSHDSACASA-N -1 0 362.415 -0.019 20 0 FBADRM C[C@@H](CN(C)C(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1)c1nnn[n-]1 ZINC000651720938 483681171 /nfs/dbraw/zinc/68/11/71/483681171.db2.gz OSMBTMVNVAVCEN-GWCFXTLKSA-N -1 0 364.381 -0.380 20 0 FBADRM C[C@H](CN(C)C(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1)c1nnn[n-]1 ZINC000651720939 483681325 /nfs/dbraw/zinc/68/13/25/483681325.db2.gz OSMBTMVNVAVCEN-MFKMUULPSA-N -1 0 364.381 -0.380 20 0 FBADRM C[C@@H](CN(C)C(=O)[C@H](CO)NC(=O)c1ccc(F)cc1)c1nnn[n-]1 ZINC000651721241 483681097 /nfs/dbraw/zinc/68/10/97/483681097.db2.gz YXRJKNUHGPMEKT-CABZTGNLSA-N -1 0 350.354 -0.308 20 0 FBADRM C[C@H](CN(C)C(=O)[C@H](CO)NC(=O)c1ccc(F)cc1)c1nnn[n-]1 ZINC000651721242 483681416 /nfs/dbraw/zinc/68/14/16/483681416.db2.gz YXRJKNUHGPMEKT-SKDRFNHKSA-N -1 0 350.354 -0.308 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)[n-]1 ZINC000651731288 483682931 /nfs/dbraw/zinc/68/29/31/483682931.db2.gz KVQOUAOSLKOZLU-GFCCVEGCSA-N -1 0 352.439 -0.477 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)[n-]1 ZINC000651731289 483682659 /nfs/dbraw/zinc/68/26/59/483682659.db2.gz KVQOUAOSLKOZLU-LBPRGKRZSA-N -1 0 352.439 -0.477 20 0 FBADRM COCCNC(=O)[C@H](CC(C)C)NC(=O)C(=O)N=c1ncn(C(C)C)[n-]1 ZINC000651734840 483683416 /nfs/dbraw/zinc/68/34/16/483683416.db2.gz WPPMZVUPNOXNPR-LBPRGKRZSA-N -1 0 368.438 -0.487 20 0 FBADRM O=C(N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)N1 ZINC000651746099 483684863 /nfs/dbraw/zinc/68/48/63/483684863.db2.gz GSHUXIBRVYVYIN-NXEZZACHSA-N -1 0 374.785 -0.111 20 0 FBADRM O=C(N[C@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)N1 ZINC000651746100 483684982 /nfs/dbraw/zinc/68/49/82/483684982.db2.gz GSHUXIBRVYVYIN-UWVGGRQHSA-N -1 0 374.785 -0.111 20 0 FBADRM O=C(N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)N1 ZINC000651746101 483685096 /nfs/dbraw/zinc/68/50/96/483685096.db2.gz GSHUXIBRVYVYIN-VHSXEESVSA-N -1 0 374.785 -0.111 20 0 FBADRM O=C(N[C@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)N1 ZINC000651746102 483684726 /nfs/dbraw/zinc/68/47/26/483684726.db2.gz GSHUXIBRVYVYIN-ZJUUUORDSA-N -1 0 374.785 -0.111 20 0 FBADRM CCO[C@@H]1C[C@@](O)(CNC(=O)C(=O)N=c2ncn(C(C)C)[n-]2)C1(C)C ZINC000651746848 483684946 /nfs/dbraw/zinc/68/49/46/483684946.db2.gz FNWGEOIHDONKPS-BDJLRTHQSA-N -1 0 353.423 -0.098 20 0 FBADRM CCO[C@@H]1C[C@](O)(CNC(=O)C(=O)N=c2ncn(C(C)C)[n-]2)C1(C)C ZINC000651746849 483684768 /nfs/dbraw/zinc/68/47/68/483684768.db2.gz FNWGEOIHDONKPS-BZNIZROVSA-N -1 0 353.423 -0.098 20 0 FBADRM CCO[C@H]1C[C@@](O)(CNC(=O)C(=O)N=c2ncn(C(C)C)[n-]2)C1(C)C ZINC000651746850 483684905 /nfs/dbraw/zinc/68/49/05/483684905.db2.gz FNWGEOIHDONKPS-MEDUHNTESA-N -1 0 353.423 -0.098 20 0 FBADRM CCO[C@H]1C[C@](O)(CNC(=O)C(=O)N=c2ncn(C(C)C)[n-]2)C1(C)C ZINC000651746851 483685074 /nfs/dbraw/zinc/68/50/74/483685074.db2.gz FNWGEOIHDONKPS-ZBEGNZNMSA-N -1 0 353.423 -0.098 20 0 FBADRM CCO[C@@H]1C[C@](CO)(NC(=O)C(=O)N=c2ncn(C(C)C)[n-]2)C1(C)C ZINC000651756119 483685608 /nfs/dbraw/zinc/68/56/08/483685608.db2.gz JYJSEFINZWDLQO-BDJLRTHQSA-N -1 0 353.423 -0.098 20 0 FBADRM CCO[C@@H]1C[C@@](CO)(NC(=O)C(=O)N=c2ncn(C(C)C)[n-]2)C1(C)C ZINC000651756120 483685336 /nfs/dbraw/zinc/68/53/36/483685336.db2.gz JYJSEFINZWDLQO-BZNIZROVSA-N -1 0 353.423 -0.098 20 0 FBADRM CCO[C@H]1C[C@](CO)(NC(=O)C(=O)N=c2ncn(C(C)C)[n-]2)C1(C)C ZINC000651756121 483685360 /nfs/dbraw/zinc/68/53/60/483685360.db2.gz JYJSEFINZWDLQO-MEDUHNTESA-N -1 0 353.423 -0.098 20 0 FBADRM CCO[C@H]1C[C@@](CO)(NC(=O)C(=O)N=c2ncn(C(C)C)[n-]2)C1(C)C ZINC000651756122 483685660 /nfs/dbraw/zinc/68/56/60/483685660.db2.gz JYJSEFINZWDLQO-ZBEGNZNMSA-N -1 0 353.423 -0.098 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)[n-]1 ZINC000651757960 483685678 /nfs/dbraw/zinc/68/56/78/483685678.db2.gz JGRJPTODTYRCAJ-LLVKDONJSA-N -1 0 357.436 -0.355 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)[n-]1 ZINC000651757961 483685383 /nfs/dbraw/zinc/68/53/83/483685383.db2.gz JGRJPTODTYRCAJ-NSHDSACASA-N -1 0 357.436 -0.355 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(C3CCOCC3)C[C@H]2C)[n-]1 ZINC000651759312 483685966 /nfs/dbraw/zinc/68/59/66/483685966.db2.gz KCTBXMRKGCQSTE-CYBMUJFWSA-N -1 0 364.450 -0.069 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)[n-]1 ZINC000651759313 483686179 /nfs/dbraw/zinc/68/61/79/483686179.db2.gz KCTBXMRKGCQSTE-ZDUSSCGKSA-N -1 0 364.450 -0.069 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)[n-]1 ZINC000651760699 483686091 /nfs/dbraw/zinc/68/60/91/483686091.db2.gz NYXNGBDKWSCQKJ-BETUJISGSA-N -1 0 352.439 -0.213 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N(C)CCN2CCOC(C)(C)C2)[n-]1 ZINC000651760701 483686783 /nfs/dbraw/zinc/68/67/83/483686783.db2.gz OCOZKQXPELEOEE-UHFFFAOYSA-N -1 0 352.439 -0.211 20 0 FBADRM Cc1nccnc1N1CCN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)CC1 ZINC000651771859 483690870 /nfs/dbraw/zinc/69/08/70/483690870.db2.gz RCRMFFLPUVYRJP-UHFFFAOYSA-N -1 0 358.406 -0.333 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)[n-]1 ZINC000651773592 483691911 /nfs/dbraw/zinc/69/19/11/483691911.db2.gz PKYYQPVBJRFDHI-AWEZNQCLSA-N -1 0 364.450 -0.210 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)[n-]1 ZINC000651774165 483691631 /nfs/dbraw/zinc/69/16/31/483691631.db2.gz PKYYQPVBJRFDHI-CQSZACIVSA-N -1 0 364.450 -0.210 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)[n-]1 ZINC000651788947 483694457 /nfs/dbraw/zinc/69/44/57/483694457.db2.gz VMAZGKHOSMQUBM-LLVKDONJSA-N -1 0 372.451 -0.898 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)[n-]1 ZINC000651788948 483694131 /nfs/dbraw/zinc/69/41/31/483694131.db2.gz VMAZGKHOSMQUBM-NSHDSACASA-N -1 0 372.451 -0.898 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2C[C@H](N3CCOCC3)C[C@H]2C)[n-]1 ZINC000651790141 483694533 /nfs/dbraw/zinc/69/45/33/483694533.db2.gz MIFKWGGXBGCRNR-CHWSQXEVSA-N -1 0 350.423 -0.459 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2C[C@@H](N3CCOCC3)C[C@H]2C)[n-]1 ZINC000651790142 483694303 /nfs/dbraw/zinc/69/43/03/483694303.db2.gz MIFKWGGXBGCRNR-OLZOCXBDSA-N -1 0 350.423 -0.459 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2C[C@H](N3CCOCC3)C[C@@H]2C)[n-]1 ZINC000651790143 483694290 /nfs/dbraw/zinc/69/42/90/483694290.db2.gz MIFKWGGXBGCRNR-QWHCGFSZSA-N -1 0 350.423 -0.459 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2C[C@@H](N3CCOCC3)C[C@@H]2C)[n-]1 ZINC000651790144 483694580 /nfs/dbraw/zinc/69/45/80/483694580.db2.gz MIFKWGGXBGCRNR-STQMWFEESA-N -1 0 350.423 -0.459 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)[n-]1 ZINC000651798013 483696635 /nfs/dbraw/zinc/69/66/35/483696635.db2.gz LIQKVIPEFRZPFJ-LLVKDONJSA-N -1 0 372.451 -0.850 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)[n-]1 ZINC000651798014 483696691 /nfs/dbraw/zinc/69/66/91/483696691.db2.gz LIQKVIPEFRZPFJ-NSHDSACASA-N -1 0 372.451 -0.850 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)[n-]1 ZINC000651798485 483696675 /nfs/dbraw/zinc/69/66/75/483696675.db2.gz YQHDYQUFVCVACQ-UHFFFAOYSA-N -1 0 362.312 -0.548 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)[C@H](C)C1 ZINC000651801347 483697028 /nfs/dbraw/zinc/69/70/28/483697028.db2.gz OYXWAZNYXIHQPP-LLVKDONJSA-N -1 0 372.451 -0.898 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)C[C@@H](C)S1(=O)=O ZINC000651801594 483697053 /nfs/dbraw/zinc/69/70/53/483697053.db2.gz ZQUDQSGLMGTGOP-GHMZBOCLSA-N -1 0 357.436 -0.357 20 0 FBADRM CC[C@H]1CN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)C[C@@H](C)S1(=O)=O ZINC000651801595 483697252 /nfs/dbraw/zinc/69/72/52/483697252.db2.gz ZQUDQSGLMGTGOP-MNOVXSKESA-N -1 0 357.436 -0.357 20 0 FBADRM CC[C@H]1CN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)C[C@H](C)S1(=O)=O ZINC000651801596 483697161 /nfs/dbraw/zinc/69/71/61/483697161.db2.gz ZQUDQSGLMGTGOP-QWRGUYRKSA-N -1 0 357.436 -0.357 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)C[C@H](C)S1(=O)=O ZINC000651801597 483697148 /nfs/dbraw/zinc/69/71/48/483697148.db2.gz ZQUDQSGLMGTGOP-WDEREUQCSA-N -1 0 357.436 -0.357 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N[C@H](C(N)=O)[C@@H](C)c2ccccc2)[n-]1 ZINC000651817246 483699107 /nfs/dbraw/zinc/69/91/07/483699107.db2.gz FFFQWZHZUNQKNI-AAEUAGOBSA-N -1 0 358.402 -0.007 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N[C@@H](C(N)=O)[C@H](C)c2ccccc2)[n-]1 ZINC000651817247 483699410 /nfs/dbraw/zinc/69/94/10/483699410.db2.gz FFFQWZHZUNQKNI-DGCLKSJQSA-N -1 0 358.402 -0.007 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N[C@@H](C(N)=O)[C@@H](C)c2ccccc2)[n-]1 ZINC000651817248 483699040 /nfs/dbraw/zinc/69/90/40/483699040.db2.gz FFFQWZHZUNQKNI-WCQYABFASA-N -1 0 358.402 -0.007 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N[C@H](C(N)=O)[C@H](C)c2ccccc2)[n-]1 ZINC000651817249 483699541 /nfs/dbraw/zinc/69/95/41/483699541.db2.gz FFFQWZHZUNQKNI-YPMHNXCESA-N -1 0 358.402 -0.007 20 0 FBADRM CCO[C@@H]1C[C@@H](NC(=O)C(=O)N=c2ncn(C(C)C)[n-]2)[C@H]1n1cccn1 ZINC000651829772 483699978 /nfs/dbraw/zinc/69/99/78/483699978.db2.gz MEDYQFZEANKBOO-JHJVBQTASA-N -1 0 361.406 -0.049 20 0 FBADRM CCO[C@@H]1C[C@@H](NC(=O)C(=O)N=c2ncn(C(C)C)[n-]2)[C@@H]1n1cccn1 ZINC000651829773 483699936 /nfs/dbraw/zinc/69/99/36/483699936.db2.gz MEDYQFZEANKBOO-UPJWGTAASA-N -1 0 361.406 -0.049 20 0 FBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)N=c2ncn(C(C)C)[n-]2)[C@@H]1n1cccn1 ZINC000651829774 483699963 /nfs/dbraw/zinc/69/99/63/483699963.db2.gz MEDYQFZEANKBOO-XQQFMLRXSA-N -1 0 361.406 -0.049 20 0 FBADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)N=c2ncn(C(C)C)[n-]2)[C@H]1n1cccn1 ZINC000651829775 483699882 /nfs/dbraw/zinc/69/98/82/483699882.db2.gz MEDYQFZEANKBOO-YNEHKIRRSA-N -1 0 361.406 -0.049 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CC(=O)N(CCC(F)(F)F)C2)[n-]1 ZINC000651835020 483702921 /nfs/dbraw/zinc/70/29/21/483702921.db2.gz WGECZNYCLLUKGU-UHFFFAOYSA-N -1 0 362.312 -0.200 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCCC[C@@H]2CS(C)(=O)=O)[n-]1 ZINC000651837863 483702263 /nfs/dbraw/zinc/70/22/63/483702263.db2.gz VKVAUMGGODTWNB-LLVKDONJSA-N -1 0 357.436 -0.355 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCCC[C@H]2CS(C)(=O)=O)[n-]1 ZINC000651837864 483702296 /nfs/dbraw/zinc/70/22/96/483702296.db2.gz VKVAUMGGODTWNB-NSHDSACASA-N -1 0 357.436 -0.355 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCC[C@@]3(O)CCOC3)cc-2c(=O)[n-]1 ZINC000651838691 483702683 /nfs/dbraw/zinc/70/26/83/483702683.db2.gz FUSAWIKJJNOELB-CYBMUJFWSA-N -1 0 356.360 -0.744 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCC[C@]3(O)CCOC3)cc-2c(=O)[n-]1 ZINC000651838692 483702800 /nfs/dbraw/zinc/70/28/00/483702800.db2.gz FUSAWIKJJNOELB-ZDUSSCGKSA-N -1 0 356.360 -0.744 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)[n-]1 ZINC000651842954 483703289 /nfs/dbraw/zinc/70/32/89/483703289.db2.gz OTDYYHXLGWLIHI-LLVKDONJSA-N -1 0 351.411 -0.518 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCC[C@H](NC(=O)N(C)C)C2)[n-]1 ZINC000651842955 483703231 /nfs/dbraw/zinc/70/32/31/483703231.db2.gz OTDYYHXLGWLIHI-NSHDSACASA-N -1 0 351.411 -0.518 20 0 FBADRM COc1ccc(N2CCN(C(=O)C(=O)N=c3ncn(C(C)C)[n-]3)CC2)nc1 ZINC000651843706 483703273 /nfs/dbraw/zinc/70/32/73/483703273.db2.gz OOGXXGIUBKAYHJ-UHFFFAOYSA-N -1 0 373.417 -0.028 20 0 FBADRM COCC(COC)N1CCN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)CC1 ZINC000651850032 483706029 /nfs/dbraw/zinc/70/60/29/483706029.db2.gz SALJNPVNZDNTMY-UHFFFAOYSA-N -1 0 368.438 -0.975 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)[n-]1 ZINC000651850733 483704612 /nfs/dbraw/zinc/70/46/12/483704612.db2.gz LSTMKGFPRFIGAS-KGLIPLIRSA-N -1 0 370.413 -0.053 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)[n-]1 ZINC000651850795 483704531 /nfs/dbraw/zinc/70/45/31/483704531.db2.gz PSYOLKRQHSEQCI-GOSISDBHSA-N -1 0 370.413 -0.125 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)[n-]1 ZINC000651850796 483704516 /nfs/dbraw/zinc/70/45/16/483704516.db2.gz PSYOLKRQHSEQCI-SFHVURJKSA-N -1 0 370.413 -0.125 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)[n-]1 ZINC000651852803 483705334 /nfs/dbraw/zinc/70/53/34/483705334.db2.gz RRIZNZHBHJBZRR-LLVKDONJSA-N -1 0 358.406 -0.172 20 0 FBADRM CC(C)n1cnc(=NC(=O)C(=O)N2CCC[C@H](c3ccnc(N)n3)C2)[n-]1 ZINC000651852804 483704943 /nfs/dbraw/zinc/70/49/43/483704943.db2.gz RRIZNZHBHJBZRR-NSHDSACASA-N -1 0 358.406 -0.172 20 0 FBADRM CCN1C[C@@H](CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1=O ZINC000651856344 483705760 /nfs/dbraw/zinc/70/57/60/483705760.db2.gz BHKOYDIZKYWLHT-MRVPVSSYSA-N -1 0 367.387 -0.417 20 0 FBADRM CCN1C[C@H](CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1=O ZINC000651856345 483705855 /nfs/dbraw/zinc/70/58/55/483705855.db2.gz BHKOYDIZKYWLHT-QMMMGPOBSA-N -1 0 367.387 -0.417 20 0 FBADRM COCC(C)(C)N1CCN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)CC1 ZINC000651858385 483705731 /nfs/dbraw/zinc/70/57/31/483705731.db2.gz GTFPPIZAUBBLHA-UHFFFAOYSA-N -1 0 352.439 -0.211 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCC2)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000651865699 483709826 /nfs/dbraw/zinc/70/98/26/483709826.db2.gz FBMCWBNIKARDJP-UHFFFAOYSA-N -1 0 356.346 -0.299 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCC[C@@]3(O)CCCOC3)cc-2c(=O)[n-]1 ZINC000651913787 483724595 /nfs/dbraw/zinc/72/45/95/483724595.db2.gz GTQSHWGPDFQYDI-AWEZNQCLSA-N -1 0 370.387 -0.354 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCC[C@]3(O)CCCOC3)cc-2c(=O)[n-]1 ZINC000651913788 483724362 /nfs/dbraw/zinc/72/43/62/483724362.db2.gz GTQSHWGPDFQYDI-CQSZACIVSA-N -1 0 370.387 -0.354 20 0 FBADRM O=C(N=c1nc2n([n-]1)CCCC2)C(=O)NC[C@]1(CO)CCc2ccccc21 ZINC000651952072 483397137 /nfs/dbraw/zinc/39/71/37/483397137.db2.gz VOJFLLSXZPPUCO-IBGZPJMESA-N -1 0 369.425 -0.033 20 0 FBADRM O=C(N=c1nc2n([n-]1)CCCC2)C(=O)NC[C@@]1(CO)CCc2ccccc21 ZINC000651952073 483396897 /nfs/dbraw/zinc/39/68/97/483396897.db2.gz VOJFLLSXZPPUCO-LJQANCHMSA-N -1 0 369.425 -0.033 20 0 FBADRM CC(C)(C)n1cnc(=NC(=O)C(=O)N2CCn3c(CC4CC4)nnc3C2)[n-]1 ZINC000651972396 483667875 /nfs/dbraw/zinc/66/78/75/483667875.db2.gz WBEQUBKHCIJRSK-UHFFFAOYSA-N -1 0 372.433 -0.020 20 0 FBADRM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)C(=O)N=c1ncn(CC(=O)N(C)C)[n-]1 ZINC000651980343 483832689 /nfs/dbraw/zinc/83/26/89/483832689.db2.gz WEDDYOBQHHHJSG-UONOGXRCSA-N -1 0 370.413 -0.293 20 0 FBADRM CN(C)C(=O)Cn1cnc(=NC(=O)C(=O)N[C@@H]2C[C@H]2CC(C)(C)C)[n-]1 ZINC000651981380 483832470 /nfs/dbraw/zinc/83/24/70/483832470.db2.gz KHEVGIVIBZVSGH-WDEREUQCSA-N -1 0 350.423 -0.332 20 0 FBADRM CC[C@@H]1COC(C)(C)CN1C(=O)C(=O)N=c1ncn(CC(=O)N(C)C)[n-]1 ZINC000651985997 483836799 /nfs/dbraw/zinc/83/67/99/483836799.db2.gz IFYQLGQRFFCQKK-LLVKDONJSA-N -1 0 366.422 -0.857 20 0 FBADRM CC[C@H]1COC(C)(C)CN1C(=O)C(=O)N=c1ncn(CC(=O)N(C)C)[n-]1 ZINC000651985998 483836917 /nfs/dbraw/zinc/83/69/17/483836917.db2.gz IFYQLGQRFFCQKK-NSHDSACASA-N -1 0 366.422 -0.857 20 0 FBADRM CC[C@@H]1CO[C@@H](CC)CN1C(=O)C(=O)N=c1ncn(CC(=O)N(C)C)[n-]1 ZINC000651990538 483848746 /nfs/dbraw/zinc/84/87/46/483848746.db2.gz VZGRYOFOTRVILC-NEPJUHHUSA-N -1 0 366.422 -0.857 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N=c2ncn(CC(=O)N(C)C)[n-]2)[C@@H](CC)CO1 ZINC000651990539 483848872 /nfs/dbraw/zinc/84/88/72/483848872.db2.gz VZGRYOFOTRVILC-NWDGAFQWSA-N -1 0 366.422 -0.857 20 0 FBADRM CC[C@H]1CN(C(=O)C(=O)N=c2ncn(CC(=O)N(C)C)[n-]2)[C@@H](CC)CO1 ZINC000651990540 483848493 /nfs/dbraw/zinc/84/84/93/483848493.db2.gz VZGRYOFOTRVILC-RYUDHWBXSA-N -1 0 366.422 -0.857 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N=c2ncn(CC(=O)N(C)C)[n-]2)[C@H](CC)CO1 ZINC000651990541 483848842 /nfs/dbraw/zinc/84/88/42/483848842.db2.gz VZGRYOFOTRVILC-VXGBXAGGSA-N -1 0 366.422 -0.857 20 0 FBADRM COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)N=c1ncn(C2CCCCC2)[n-]1 ZINC000652012945 483456528 /nfs/dbraw/zinc/45/65/28/483456528.db2.gz VLFOSWRGEQSLHK-QWHCGFSZSA-N -1 0 351.407 -0.248 20 0 FBADRM COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)N=c1ncn(Cc2ccccc2)[n-]1 ZINC000652013080 483458564 /nfs/dbraw/zinc/45/85/64/483458564.db2.gz CBEJWDTWHIBQDB-UONOGXRCSA-N -1 0 359.386 -0.705 20 0 FBADRM COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N=c1ncn(Cc2ccccc2)[n-]1 ZINC000652030955 483547493 /nfs/dbraw/zinc/54/74/93/483547493.db2.gz CBEJWDTWHIBQDB-ZIAGYGMSSA-N -1 0 359.386 -0.705 20 0 FBADRM COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N=c1ncn(C2CCCCC2)[n-]1 ZINC000652031665 483548443 /nfs/dbraw/zinc/54/84/43/483548443.db2.gz VLFOSWRGEQSLHK-CHWSQXEVSA-N -1 0 351.407 -0.248 20 0 FBADRM CCN1C[C@H](CNC(=O)C(=O)N=c2ncn(Cc3ccccc3)[n-]2)CC1=O ZINC000652047487 483551344 /nfs/dbraw/zinc/55/13/44/483551344.db2.gz QPYPVCOCWDJALP-AWEZNQCLSA-N -1 0 370.413 -0.329 20 0 FBADRM CCN1C[C@@H](CNC(=O)C(=O)N=c2ncn(Cc3ccccc3)[n-]2)CC1=O ZINC000652047488 483551291 /nfs/dbraw/zinc/55/12/91/483551291.db2.gz QPYPVCOCWDJALP-CQSZACIVSA-N -1 0 370.413 -0.329 20 0 FBADRM COc1cc(CN(CC(=O)[O-])C(=O)[C@H]2CCS(=O)(=O)N2)cc(OC)c1 ZINC000652055300 483552037 /nfs/dbraw/zinc/55/20/37/483552037.db2.gz YXHKYYFNIMYJGK-CYBMUJFWSA-N -1 0 372.399 -0.191 20 0 FBADRM COc1cc(CN(CC(=O)[O-])C(=O)[C@@H]2CCS(=O)(=O)N2)cc(OC)c1 ZINC000652055301 483552041 /nfs/dbraw/zinc/55/20/41/483552041.db2.gz YXHKYYFNIMYJGK-ZDUSSCGKSA-N -1 0 372.399 -0.191 20 0 FBADRM O=C([O-])CCNC(=O)c1ccc(NC(=O)[C@H]2CCS(=O)(=O)N2)cc1 ZINC000652058335 483552230 /nfs/dbraw/zinc/55/22/30/483552230.db2.gz SDWXMYUZRDIALU-LLVKDONJSA-N -1 0 355.372 -0.479 20 0 FBADRM O=C([O-])CCNC(=O)c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 ZINC000652058336 483552548 /nfs/dbraw/zinc/55/25/48/483552548.db2.gz SDWXMYUZRDIALU-NSHDSACASA-N -1 0 355.372 -0.479 20 0 FBADRM CS(=O)(=O)c1cc(NC(=O)[C@@H]2CCS(=O)(=O)N2)cc(C(=O)[O-])c1 ZINC000652061104 483553480 /nfs/dbraw/zinc/55/34/80/483553480.db2.gz RTXYCYZXURXLFC-JTQLQIEISA-N -1 0 362.385 -0.582 20 0 FBADRM CS(=O)(=O)c1cc(NC(=O)[C@H]2CCS(=O)(=O)N2)cc(C(=O)[O-])c1 ZINC000652061105 483553520 /nfs/dbraw/zinc/55/35/20/483553520.db2.gz RTXYCYZXURXLFC-SNVBAGLBSA-N -1 0 362.385 -0.582 20 0 FBADRM COc1ccccc1C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)C(=O)[O-] ZINC000652064689 483553412 /nfs/dbraw/zinc/55/34/12/483553412.db2.gz XSPOEYOTCNTROM-NEPJUHHUSA-N -1 0 356.400 -0.254 20 0 FBADRM COc1ccccc1C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)C(=O)[O-] ZINC000652064690 483553430 /nfs/dbraw/zinc/55/34/30/483553430.db2.gz XSPOEYOTCNTROM-NWDGAFQWSA-N -1 0 356.400 -0.254 20 0 FBADRM COc1ccccc1C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)C(=O)[O-] ZINC000652064691 483553328 /nfs/dbraw/zinc/55/33/28/483553328.db2.gz XSPOEYOTCNTROM-RYUDHWBXSA-N -1 0 356.400 -0.254 20 0 FBADRM COc1ccccc1C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)C(=O)[O-] ZINC000652064692 483554402 /nfs/dbraw/zinc/55/44/02/483554402.db2.gz XSPOEYOTCNTROM-VXGBXAGGSA-N -1 0 356.400 -0.254 20 0 FBADRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652065686 483553337 /nfs/dbraw/zinc/55/33/37/483553337.db2.gz ICAOIGOECOPMMM-CHWSQXEVSA-N -1 0 351.384 -0.029 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652065687 483553137 /nfs/dbraw/zinc/55/31/37/483553137.db2.gz ICAOIGOECOPMMM-OLZOCXBDSA-N -1 0 351.384 -0.029 20 0 FBADRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652065688 483553317 /nfs/dbraw/zinc/55/33/17/483553317.db2.gz ICAOIGOECOPMMM-QWHCGFSZSA-N -1 0 351.384 -0.029 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652065689 483553778 /nfs/dbraw/zinc/55/37/78/483553778.db2.gz ICAOIGOECOPMMM-STQMWFEESA-N -1 0 351.384 -0.029 20 0 FBADRM O=C([O-])c1ccn(-c2cccc(CNC(=O)[C@H]3CCS(=O)(=O)N3)c2)n1 ZINC000652067738 483554575 /nfs/dbraw/zinc/55/45/75/483554575.db2.gz FJFINKNIPZJRHG-GFCCVEGCSA-N -1 0 364.383 -0.122 20 0 FBADRM O=C([O-])c1ccn(-c2cccc(CNC(=O)[C@@H]3CCS(=O)(=O)N3)c2)n1 ZINC000652067739 483554910 /nfs/dbraw/zinc/55/49/10/483554910.db2.gz FJFINKNIPZJRHG-LBPRGKRZSA-N -1 0 364.383 -0.122 20 0 FBADRM C[C@H](NC(=O)c1ccc(NC(=O)[C@H]2CCS(=O)(=O)N2)cc1)C(=O)[O-] ZINC000652071398 483554290 /nfs/dbraw/zinc/55/42/90/483554290.db2.gz TXXNQRZMLOYFQH-GZMMTYOYSA-N -1 0 355.372 -0.480 20 0 FBADRM C[C@@H](NC(=O)c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)N2)cc1)C(=O)[O-] ZINC000652071399 483554621 /nfs/dbraw/zinc/55/46/21/483554621.db2.gz TXXNQRZMLOYFQH-KCJUWKMLSA-N -1 0 355.372 -0.480 20 0 FBADRM C[C@H](NC(=O)c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)N2)cc1)C(=O)[O-] ZINC000652071400 483554858 /nfs/dbraw/zinc/55/48/58/483554858.db2.gz TXXNQRZMLOYFQH-KWQFWETISA-N -1 0 355.372 -0.480 20 0 FBADRM C[C@@H](NC(=O)c1ccc(NC(=O)[C@H]2CCS(=O)(=O)N2)cc1)C(=O)[O-] ZINC000652071401 483554871 /nfs/dbraw/zinc/55/48/71/483554871.db2.gz TXXNQRZMLOYFQH-LDYMZIIASA-N -1 0 355.372 -0.480 20 0 FBADRM COc1ccc([C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(=O)[O-])c(OC)c1 ZINC000652072096 483554600 /nfs/dbraw/zinc/55/46/00/483554600.db2.gz MSUNPJFWQJFKCJ-CMPLNLGQSA-N -1 0 358.372 -0.363 20 0 FBADRM COc1ccc([C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(=O)[O-])c(OC)c1 ZINC000652072097 483554826 /nfs/dbraw/zinc/55/48/26/483554826.db2.gz MSUNPJFWQJFKCJ-JQWIXIFHSA-N -1 0 358.372 -0.363 20 0 FBADRM COc1ccc([C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(=O)[O-])c(OC)c1 ZINC000652072098 483554203 /nfs/dbraw/zinc/55/42/03/483554203.db2.gz MSUNPJFWQJFKCJ-PWSUYJOCSA-N -1 0 358.372 -0.363 20 0 FBADRM COc1ccc([C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(=O)[O-])c(OC)c1 ZINC000652072099 483554882 /nfs/dbraw/zinc/55/48/82/483554882.db2.gz MSUNPJFWQJFKCJ-ZYHUDNBSSA-N -1 0 358.372 -0.363 20 0 FBADRM O=C(CNC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1)NCC1CC1 ZINC000652093999 483583385 /nfs/dbraw/zinc/58/33/85/483583385.db2.gz WBOVYTRYMAFTGD-GFCCVEGCSA-N -1 0 366.418 -0.380 20 0 FBADRM O=C(CNC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1)NCC1CC1 ZINC000652094000 483582623 /nfs/dbraw/zinc/58/26/23/483582623.db2.gz WBOVYTRYMAFTGD-LBPRGKRZSA-N -1 0 366.418 -0.380 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)NC[C@@H]3CCCC(=O)N3)CC2)C1 ZINC000652094380 483584417 /nfs/dbraw/zinc/58/44/17/483584417.db2.gz DXUFUHTVZBWYOW-NEPJUHHUSA-N -1 0 366.418 -0.238 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)NC[C@H]3CCCC(=O)N3)CC2)C1 ZINC000652094381 483584018 /nfs/dbraw/zinc/58/40/18/483584018.db2.gz DXUFUHTVZBWYOW-NWDGAFQWSA-N -1 0 366.418 -0.238 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)NC[C@@H]3CCCC(=O)N3)CC2)C1 ZINC000652094382 483584200 /nfs/dbraw/zinc/58/42/00/483584200.db2.gz DXUFUHTVZBWYOW-RYUDHWBXSA-N -1 0 366.418 -0.238 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)NC[C@H]3CCCC(=O)N3)CC2)C1 ZINC000652094383 483584423 /nfs/dbraw/zinc/58/44/23/483584423.db2.gz DXUFUHTVZBWYOW-VXGBXAGGSA-N -1 0 366.418 -0.238 20 0 FBADRM CCN1CC[C@H](NC(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)C1=O ZINC000652095775 483584529 /nfs/dbraw/zinc/58/45/29/483584529.db2.gz PAKRKWPIUPKWLX-AAEUAGOBSA-N -1 0 366.418 -0.286 20 0 FBADRM CCN1CC[C@@H](NC(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)C1=O ZINC000652095776 483583946 /nfs/dbraw/zinc/58/39/46/483583946.db2.gz PAKRKWPIUPKWLX-DGCLKSJQSA-N -1 0 366.418 -0.286 20 0 FBADRM CCN1CC[C@@H](NC(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)C1=O ZINC000652095777 483584522 /nfs/dbraw/zinc/58/45/22/483584522.db2.gz PAKRKWPIUPKWLX-WCQYABFASA-N -1 0 366.418 -0.286 20 0 FBADRM CCN1CC[C@H](NC(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)C1=O ZINC000652095778 483584466 /nfs/dbraw/zinc/58/44/66/483584466.db2.gz PAKRKWPIUPKWLX-YPMHNXCESA-N -1 0 366.418 -0.286 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)NC[C@H]3CCCNC3=O)CC2)C1 ZINC000652097597 483586022 /nfs/dbraw/zinc/58/60/22/483586022.db2.gz LQYCDSMSBDHAQQ-NEPJUHHUSA-N -1 0 366.418 -0.380 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)NC[C@@H]3CCCNC3=O)CC2)C1 ZINC000652097598 483585767 /nfs/dbraw/zinc/58/57/67/483585767.db2.gz LQYCDSMSBDHAQQ-NWDGAFQWSA-N -1 0 366.418 -0.380 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)NC[C@@H]3CCCNC3=O)CC2)C1 ZINC000652097599 483585867 /nfs/dbraw/zinc/58/58/67/483585867.db2.gz LQYCDSMSBDHAQQ-RYUDHWBXSA-N -1 0 366.418 -0.380 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)NC[C@H]3CCCNC3=O)CC2)C1 ZINC000652097600 483585472 /nfs/dbraw/zinc/58/54/72/483585472.db2.gz LQYCDSMSBDHAQQ-VXGBXAGGSA-N -1 0 366.418 -0.380 20 0 FBADRM NC(=O)[C@H]1C[C@@H](NC(=O)N[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)C1 ZINC000652098589 483586052 /nfs/dbraw/zinc/58/60/52/483586052.db2.gz PNBYWJVIZLKIMA-CRWXNKLISA-N -1 0 374.397 -0.024 20 0 FBADRM NC(=O)[C@H]1C[C@@H](NC(=O)N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)C1 ZINC000652098590 483585955 /nfs/dbraw/zinc/58/59/55/483585955.db2.gz PNBYWJVIZLKIMA-RFQIPJPRSA-N -1 0 374.397 -0.024 20 0 FBADRM NC(=O)[C@H]1C[C@@H](NC(=O)N[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)C1 ZINC000652098591 483585433 /nfs/dbraw/zinc/58/54/33/483585433.db2.gz PNBYWJVIZLKIMA-RQJABVFESA-N -1 0 374.397 -0.024 20 0 FBADRM NC(=O)[C@H]1C[C@@H](NC(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)C1 ZINC000652098592 483585751 /nfs/dbraw/zinc/58/57/51/483585751.db2.gz PNBYWJVIZLKIMA-XJFOESAGSA-N -1 0 374.397 -0.024 20 0 FBADRM NS(=O)(=O)c1ccc(F)c(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000652101660 483586448 /nfs/dbraw/zinc/58/64/48/483586448.db2.gz PFTMAZHQXRCTCH-LLVKDONJSA-N -1 0 361.351 -0.532 20 0 FBADRM NS(=O)(=O)c1ccc(F)c(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000652101661 483586604 /nfs/dbraw/zinc/58/66/04/483586604.db2.gz PFTMAZHQXRCTCH-NSHDSACASA-N -1 0 361.351 -0.532 20 0 FBADRM C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)C[C@H](C(=O)[O-])O1 ZINC000652111917 483589627 /nfs/dbraw/zinc/58/96/27/483589627.db2.gz GTELTTSWDLCURQ-BXKDBHETSA-N -1 0 359.404 -0.411 20 0 FBADRM C[C@@](CNC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)(C(=O)[O-])c1ccccc1 ZINC000652113567 483589066 /nfs/dbraw/zinc/58/90/66/483589066.db2.gz ULVYCOZATKQDDT-PXAZEXFGSA-N -1 0 360.370 -0.026 20 0 FBADRM C[C@@](CNC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)(C(=O)[O-])c1ccccc1 ZINC000652113568 483589559 /nfs/dbraw/zinc/58/95/59/483589559.db2.gz ULVYCOZATKQDDT-SJCJKPOMSA-N -1 0 360.370 -0.026 20 0 FBADRM C[C@](CNC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)(C(=O)[O-])c1ccccc1 ZINC000652113569 483589010 /nfs/dbraw/zinc/58/90/10/483589010.db2.gz ULVYCOZATKQDDT-SJKOYZFVSA-N -1 0 360.370 -0.026 20 0 FBADRM C[C@](CNC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)(C(=O)[O-])c1ccccc1 ZINC000652113570 483589616 /nfs/dbraw/zinc/58/96/16/483589616.db2.gz ULVYCOZATKQDDT-YVEFUNNKSA-N -1 0 360.370 -0.026 20 0 FBADRM C[C@](CNC(=O)NC[C@@]1(O)CCS(=O)(=O)C1)(C(=O)[O-])c1ccccc1 ZINC000652115288 483589027 /nfs/dbraw/zinc/58/90/27/483589027.db2.gz ACAKJCQYIIIACR-CVEARBPZSA-N -1 0 370.427 -0.122 20 0 FBADRM C[C@@](CNC(=O)NC[C@@]1(O)CCS(=O)(=O)C1)(C(=O)[O-])c1ccccc1 ZINC000652115289 483589750 /nfs/dbraw/zinc/58/97/50/483589750.db2.gz ACAKJCQYIIIACR-HOTGVXAUSA-N -1 0 370.427 -0.122 20 0 FBADRM C[C@](CNC(=O)NC[C@]1(O)CCS(=O)(=O)C1)(C(=O)[O-])c1ccccc1 ZINC000652115290 483589853 /nfs/dbraw/zinc/58/98/53/483589853.db2.gz ACAKJCQYIIIACR-HZPDHXFCSA-N -1 0 370.427 -0.122 20 0 FBADRM C[C@@](CNC(=O)NC[C@]1(O)CCS(=O)(=O)C1)(C(=O)[O-])c1ccccc1 ZINC000652115291 483589508 /nfs/dbraw/zinc/58/95/08/483589508.db2.gz ACAKJCQYIIIACR-JKSUJKDBSA-N -1 0 370.427 -0.122 20 0 FBADRM C[C@@](CNC(=O)N1CCN(CC(N)=O)C(=O)C1)(C(=O)[O-])c1ccccc1 ZINC000652115999 483592405 /nfs/dbraw/zinc/59/24/05/483592405.db2.gz ARGRQXFRQOKXRK-KRWDZBQOSA-N -1 0 362.386 -0.632 20 0 FBADRM C[C@](CNC(=O)N1CCN(CC(N)=O)C(=O)C1)(C(=O)[O-])c1ccccc1 ZINC000652116000 483591661 /nfs/dbraw/zinc/59/16/61/483591661.db2.gz ARGRQXFRQOKXRK-QGZVFWFLSA-N -1 0 362.386 -0.632 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1(CC(=O)[O-])CC1 ZINC000652119445 483594605 /nfs/dbraw/zinc/59/46/05/483594605.db2.gz FDOURGXRBLLEDZ-UHFFFAOYSA-N -1 0 371.415 -0.217 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652125979 483597804 /nfs/dbraw/zinc/59/78/04/483597804.db2.gz ONCIZHMUDPSPAV-QWHCGFSZSA-N -1 0 362.448 -0.100 20 0 FBADRM Cc1nc(=NC(=O)C(=O)N2CCN(C)C[C@@H]2Cc2ccccc2)[n-]n1C ZINC000652128719 483603179 /nfs/dbraw/zinc/60/31/79/483603179.db2.gz IFIFPKUIXFTSGD-HNNXBMFYSA-N -1 0 356.430 -0.131 20 0 FBADRM Cc1nc(=NC(=O)C(=O)N2CCN(C)C[C@H]2Cc2ccccc2)[n-]n1C ZINC000652128720 483603266 /nfs/dbraw/zinc/60/32/66/483603266.db2.gz IFIFPKUIXFTSGD-OAHLLOKOSA-N -1 0 356.430 -0.131 20 0 FBADRM CNC(=O)Cn1cnc(=NC(=O)C(=O)N2CCc3ccccc3[C@H](C)C2)[n-]1 ZINC000652133161 483606671 /nfs/dbraw/zinc/60/66/71/483606671.db2.gz IUVWKSWSIBYROM-GFCCVEGCSA-N -1 0 370.413 -0.427 20 0 FBADRM CNC(=O)Cn1cnc(=NC(=O)C(=O)N2CCc3ccccc3[C@@H](C)C2)[n-]1 ZINC000652133162 483606409 /nfs/dbraw/zinc/60/64/09/483606409.db2.gz IUVWKSWSIBYROM-LBPRGKRZSA-N -1 0 370.413 -0.427 20 0 FBADRM CC(C)Oc1ccc(=NC(=O)C(=O)N2CCN(Cc3nc[nH]n3)CC2)[n-]n1 ZINC000652149952 483739683 /nfs/dbraw/zinc/73/96/83/483739683.db2.gz GQKWMLGJMFBCOZ-UHFFFAOYSA-N -1 0 374.405 -0.913 20 0 FBADRM CCc1cccc(CNC(=O)C(=O)N=c2ncn(CC(=O)N(C)C)[n-]2)c1 ZINC000652190714 483748976 /nfs/dbraw/zinc/74/89/76/483748976.db2.gz YHHXHVXZGJIYAM-UHFFFAOYSA-N -1 0 358.402 -0.395 20 0 FBADRM Cn1cnc(=NC(=O)C(=O)NCCc2ccc3c(c2)OC(F)(F)O3)[n-]1 ZINC000652229662 483749906 /nfs/dbraw/zinc/74/99/06/483749906.db2.gz ZXASVICJYLOBJF-UHFFFAOYSA-N -1 0 353.285 -0.144 20 0 FBADRM CC(C)Oc1ccc(=NC(=O)C(=O)NCC[C@@]2(O)CCCOC2)[n-]n1 ZINC000652244666 483751107 /nfs/dbraw/zinc/75/11/07/483751107.db2.gz MGSKWHWKYNPJMR-INIZCTEOSA-N -1 0 352.391 -0.328 20 0 FBADRM CC(C)Oc1ccc(=NC(=O)C(=O)NCC[C@]2(O)CCCOC2)[n-]n1 ZINC000652244667 483751159 /nfs/dbraw/zinc/75/11/59/483751159.db2.gz MGSKWHWKYNPJMR-MRXNPFEDSA-N -1 0 352.391 -0.328 20 0 FBADRM O=C(N=c1ncn(Cc2ccccc2)[n-]1)C(=O)NCC[C@]1(O)CCCOC1 ZINC000652247526 483751476 /nfs/dbraw/zinc/75/14/76/483751476.db2.gz MUCTYMHWIOMXFK-GOSISDBHSA-N -1 0 373.413 -0.265 20 0 FBADRM O=C(N=c1ncn(Cc2ccccc2)[n-]1)C(=O)NCC[C@@]1(O)CCCOC1 ZINC000652247527 483751121 /nfs/dbraw/zinc/75/11/21/483751121.db2.gz MUCTYMHWIOMXFK-SFHVURJKSA-N -1 0 373.413 -0.265 20 0 FBADRM CC(C)Oc1ccc(=NC(=O)C(=O)N2CCOC[C@@H]2c2ccnn2C)[n-]n1 ZINC000652281122 483752897 /nfs/dbraw/zinc/75/28/97/483752897.db2.gz NNEGYKICUBPXQF-CYBMUJFWSA-N -1 0 374.401 -0.042 20 0 FBADRM CC(C)Oc1ccc(=NC(=O)C(=O)N2CCOC[C@H]2c2ccnn2C)[n-]n1 ZINC000652281123 483752769 /nfs/dbraw/zinc/75/27/69/483752769.db2.gz NNEGYKICUBPXQF-ZDUSSCGKSA-N -1 0 374.401 -0.042 20 0 FBADRM Cn1nccc1[C@H]1COCCN1C(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1 ZINC000652281776 483752999 /nfs/dbraw/zinc/75/29/99/483752999.db2.gz NHZDKGFDHNNVPS-GFCCVEGCSA-N -1 0 361.406 -0.273 20 0 FBADRM Cn1nccc1[C@@H]1COCCN1C(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1 ZINC000652281777 483752782 /nfs/dbraw/zinc/75/27/82/483752782.db2.gz NHZDKGFDHNNVPS-LBPRGKRZSA-N -1 0 361.406 -0.273 20 0 FBADRM COCCOCCN1CCN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)CC1 ZINC000652314829 483759933 /nfs/dbraw/zinc/75/99/33/483759933.db2.gz HMVPOSAGMUUNBB-UHFFFAOYSA-N -1 0 368.438 -0.973 20 0 FBADRM COCCOCCN1CCN(C(=O)C(=O)N=c2cc(C)c(C)n[n-]2)CC1 ZINC000652315477 483759833 /nfs/dbraw/zinc/75/98/33/483759833.db2.gz WGEBMDLANKPCLJ-UHFFFAOYSA-N -1 0 365.434 -0.739 20 0 FBADRM CC(C)(C)n1cnc(=NC(=O)C(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)[n-]1 ZINC000652329411 483763606 /nfs/dbraw/zinc/76/36/06/483763606.db2.gz VIZZIMAGLPZLQJ-GHMZBOCLSA-N -1 0 351.407 -0.202 20 0 FBADRM Cc1cc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)oc1C(=O)[O-] ZINC000652393695 483780197 /nfs/dbraw/zinc/78/01/97/483780197.db2.gz NVDBRAKACQZVLY-UHFFFAOYSA-N -1 0 373.431 -0.019 20 0 FBADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000652397829 483781015 /nfs/dbraw/zinc/78/10/15/483781015.db2.gz VQDONXRXXFOHQD-UHFFFAOYSA-N -1 0 363.399 -0.344 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000652617234 483819456 /nfs/dbraw/zinc/81/94/56/483819456.db2.gz ABQLTJSWPINNAS-SECBINFHSA-N -1 0 373.362 -0.388 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000652617235 483819515 /nfs/dbraw/zinc/81/95/15/483819515.db2.gz ABQLTJSWPINNAS-VIFPVBQESA-N -1 0 373.362 -0.388 20 0 FBADRM COCCCNC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652644527 483847017 /nfs/dbraw/zinc/84/70/17/483847017.db2.gz AJULFLOMYYFYOG-LLVKDONJSA-N -1 0 355.391 -0.937 20 0 FBADRM COCCCNC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652644528 483847057 /nfs/dbraw/zinc/84/70/57/483847057.db2.gz AJULFLOMYYFYOG-NSHDSACASA-N -1 0 355.391 -0.937 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)NC3CCCC3)CC2)C1 ZINC000652644760 483848352 /nfs/dbraw/zinc/84/83/52/483848352.db2.gz ICRKTWGMOUNYIM-LLVKDONJSA-N -1 0 351.403 -0.031 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C(=O)NC3CCCC3)CC2)C1 ZINC000652644761 483848084 /nfs/dbraw/zinc/84/80/84/483848084.db2.gz ICRKTWGMOUNYIM-NSHDSACASA-N -1 0 351.403 -0.031 20 0 FBADRM COC[C@@H](C)NC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652644933 483848677 /nfs/dbraw/zinc/84/86/77/483848677.db2.gz LGOPMWNJLMVOTM-GHMZBOCLSA-N -1 0 355.391 -0.938 20 0 FBADRM COC[C@@H](C)NC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652644934 483848610 /nfs/dbraw/zinc/84/86/10/483848610.db2.gz LGOPMWNJLMVOTM-MNOVXSKESA-N -1 0 355.391 -0.938 20 0 FBADRM CCOCCCNC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652645215 483849594 /nfs/dbraw/zinc/84/95/94/483849594.db2.gz UVBCBFHFKGVSMG-GFCCVEGCSA-N -1 0 369.418 -0.547 20 0 FBADRM CCOCCCNC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652645216 483849559 /nfs/dbraw/zinc/84/95/59/483849559.db2.gz UVBCBFHFKGVSMG-LBPRGKRZSA-N -1 0 369.418 -0.547 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C(=O)NC[C@@H]3CCCO3)CC2)C1 ZINC000652645360 483850354 /nfs/dbraw/zinc/85/03/54/483850354.db2.gz YDWICRKYGGIPEQ-AAEUAGOBSA-N -1 0 367.402 -0.794 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)NC[C@H]3CCCO3)CC2)C1 ZINC000652645361 483850251 /nfs/dbraw/zinc/85/02/51/483850251.db2.gz YDWICRKYGGIPEQ-DGCLKSJQSA-N -1 0 367.402 -0.794 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C(=O)NC[C@H]3CCCO3)CC2)C1 ZINC000652645362 483850224 /nfs/dbraw/zinc/85/02/24/483850224.db2.gz YDWICRKYGGIPEQ-WCQYABFASA-N -1 0 367.402 -0.794 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)NC[C@@H]3CCCO3)CC2)C1 ZINC000652645363 483850410 /nfs/dbraw/zinc/85/04/10/483850410.db2.gz YDWICRKYGGIPEQ-YPMHNXCESA-N -1 0 367.402 -0.794 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)NCc3ccco3)CC2)C1 ZINC000652645381 483850246 /nfs/dbraw/zinc/85/02/46/483850246.db2.gz YSQKJFKRPZMRQG-LLVKDONJSA-N -1 0 363.370 -0.180 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C(=O)NCc3ccco3)CC2)C1 ZINC000652645382 483850031 /nfs/dbraw/zinc/85/00/31/483850031.db2.gz YSQKJFKRPZMRQG-NSHDSACASA-N -1 0 363.370 -0.180 20 0 FBADRM C[C@](CNC(=O)C(=O)NCCNC(=O)C1CC1)(C(=O)[O-])c1ccccc1 ZINC000652646324 483854244 /nfs/dbraw/zinc/85/42/44/483854244.db2.gz ANSXEBNSCRIYGE-GOSISDBHSA-N -1 0 361.398 -0.213 20 0 FBADRM C[C@@](CNC(=O)C(=O)NCCNC(=O)C1CC1)(C(=O)[O-])c1ccccc1 ZINC000652646325 483854235 /nfs/dbraw/zinc/85/42/35/483854235.db2.gz ANSXEBNSCRIYGE-SFHVURJKSA-N -1 0 361.398 -0.213 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)NCc3ccoc3)CC2)C1 ZINC000652646559 483854673 /nfs/dbraw/zinc/85/46/73/483854673.db2.gz GLJJJPMVCVZGFA-GFCCVEGCSA-N -1 0 363.370 -0.180 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C(=O)NCc3ccoc3)CC2)C1 ZINC000652646560 483854656 /nfs/dbraw/zinc/85/46/56/483854656.db2.gz GLJJJPMVCVZGFA-LBPRGKRZSA-N -1 0 363.370 -0.180 20 0 FBADRM CC1(C)C[C@H]1NC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652646673 483855000 /nfs/dbraw/zinc/85/50/00/483855000.db2.gz INHVQFZPSIGSKG-CMPLNLGQSA-N -1 0 351.403 -0.175 20 0 FBADRM CC1(C)C[C@@H]1NC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652646674 483854862 /nfs/dbraw/zinc/85/48/62/483854862.db2.gz INHVQFZPSIGSKG-JQWIXIFHSA-N -1 0 351.403 -0.175 20 0 FBADRM CC1(C)C[C@@H]1NC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652646675 483855099 /nfs/dbraw/zinc/85/50/99/483855099.db2.gz INHVQFZPSIGSKG-PWSUYJOCSA-N -1 0 351.403 -0.175 20 0 FBADRM CC1(C)C[C@H]1NC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652646676 483855181 /nfs/dbraw/zinc/85/51/81/483855181.db2.gz INHVQFZPSIGSKG-ZYHUDNBSSA-N -1 0 351.403 -0.175 20 0 FBADRM CC[C@@H](COC)NC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652646786 483855653 /nfs/dbraw/zinc/85/56/53/483855653.db2.gz KXIVYHPPCWDTKL-NEPJUHHUSA-N -1 0 369.418 -0.548 20 0 FBADRM CC[C@H](COC)NC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652646787 483855314 /nfs/dbraw/zinc/85/53/14/483855314.db2.gz KXIVYHPPCWDTKL-NWDGAFQWSA-N -1 0 369.418 -0.548 20 0 FBADRM CC[C@@H](COC)NC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652646788 483855666 /nfs/dbraw/zinc/85/56/66/483855666.db2.gz KXIVYHPPCWDTKL-RYUDHWBXSA-N -1 0 369.418 -0.548 20 0 FBADRM CC[C@H](COC)NC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652646789 483855297 /nfs/dbraw/zinc/85/52/97/483855297.db2.gz KXIVYHPPCWDTKL-VXGBXAGGSA-N -1 0 369.418 -0.548 20 0 FBADRM C[C@@](CNC(=O)C(=O)NCCCn1cncn1)(C(=O)[O-])c1ccccc1 ZINC000652646815 483855372 /nfs/dbraw/zinc/85/53/72/483855372.db2.gz LQJKWSXQADSHHG-KRWDZBQOSA-N -1 0 359.386 -0.057 20 0 FBADRM C[C@](CNC(=O)C(=O)NCCCn1cncn1)(C(=O)[O-])c1ccccc1 ZINC000652646816 483855308 /nfs/dbraw/zinc/85/53/08/483855308.db2.gz LQJKWSXQADSHHG-QGZVFWFLSA-N -1 0 359.386 -0.057 20 0 FBADRM C[C@@H]1C[C@H]1CNC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652646874 483856145 /nfs/dbraw/zinc/85/61/45/483856145.db2.gz MVXDAZHPAHSDQE-GRYCIOLGSA-N -1 0 351.403 -0.317 20 0 FBADRM C[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652646875 483855843 /nfs/dbraw/zinc/85/58/43/483855843.db2.gz MVXDAZHPAHSDQE-IJLUTSLNSA-N -1 0 351.403 -0.317 20 0 FBADRM C[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652646876 483856160 /nfs/dbraw/zinc/85/61/60/483856160.db2.gz MVXDAZHPAHSDQE-UTUOFQBUSA-N -1 0 351.403 -0.317 20 0 FBADRM C[C@@H]1C[C@H]1CNC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652646877 483856033 /nfs/dbraw/zinc/85/60/33/483856033.db2.gz MVXDAZHPAHSDQE-WOPDTQHZSA-N -1 0 351.403 -0.317 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)NCC3CCC3)CC2)C1 ZINC000652647008 483856180 /nfs/dbraw/zinc/85/61/80/483856180.db2.gz PUOQQCKUXXKULX-GFCCVEGCSA-N -1 0 351.403 -0.173 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C(=O)NCC3CCC3)CC2)C1 ZINC000652647009 483856178 /nfs/dbraw/zinc/85/61/78/483856178.db2.gz PUOQQCKUXXKULX-LBPRGKRZSA-N -1 0 351.403 -0.173 20 0 FBADRM C[C@@](CNC(=O)C(=O)NCCCS(C)(=O)=O)(C(=O)[O-])c1ccccc1 ZINC000652647139 483856235 /nfs/dbraw/zinc/85/62/35/483856235.db2.gz TUKSOGMNTXAPHU-INIZCTEOSA-N -1 0 370.427 -0.304 20 0 FBADRM C[C@](CNC(=O)C(=O)NCCCS(C)(=O)=O)(C(=O)[O-])c1ccccc1 ZINC000652647140 483856347 /nfs/dbraw/zinc/85/63/47/483856347.db2.gz TUKSOGMNTXAPHU-MRXNPFEDSA-N -1 0 370.427 -0.304 20 0 FBADRM C[C@](CNC(=O)C(=O)NCc1nnc2n1CCC2)(C(=O)[O-])c1ccccc1 ZINC000652647278 483857741 /nfs/dbraw/zinc/85/77/41/483857741.db2.gz WJRRRDNJFWBFBP-GOSISDBHSA-N -1 0 371.397 -0.001 20 0 FBADRM C[C@@](CNC(=O)C(=O)NCc1nnc2n1CCC2)(C(=O)[O-])c1ccccc1 ZINC000652647279 483857777 /nfs/dbraw/zinc/85/77/77/483857777.db2.gz WJRRRDNJFWBFBP-SFHVURJKSA-N -1 0 371.397 -0.001 20 0 FBADRM CCOCCNC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652647549 483858736 /nfs/dbraw/zinc/85/87/36/483858736.db2.gz ZZOQDEDHEDIVFW-LLVKDONJSA-N -1 0 355.391 -0.937 20 0 FBADRM CCOCCNC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652647550 483858791 /nfs/dbraw/zinc/85/87/91/483858791.db2.gz ZZOQDEDHEDIVFW-NSHDSACASA-N -1 0 355.391 -0.937 20 0 FBADRM CN1CCC[C@@H](NC(=O)C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)C1=O ZINC000652647790 483858734 /nfs/dbraw/zinc/85/87/34/483858734.db2.gz CBMIAQJOXXLXOM-ACJLOTCBSA-N -1 0 361.398 -0.118 20 0 FBADRM CN1CCC[C@@H](NC(=O)C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)C1=O ZINC000652647791 483858822 /nfs/dbraw/zinc/85/88/22/483858822.db2.gz CBMIAQJOXXLXOM-FZKQIMNGSA-N -1 0 361.398 -0.118 20 0 FBADRM CN1CCC[C@H](NC(=O)C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)C1=O ZINC000652647792 483858740 /nfs/dbraw/zinc/85/87/40/483858740.db2.gz CBMIAQJOXXLXOM-SCLBCKFNSA-N -1 0 361.398 -0.118 20 0 FBADRM CN1CCC[C@H](NC(=O)C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)C1=O ZINC000652647793 483858755 /nfs/dbraw/zinc/85/87/55/483858755.db2.gz CBMIAQJOXXLXOM-UGSOOPFHSA-N -1 0 361.398 -0.118 20 0 FBADRM COCC[C@@H](C)NC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652647868 483858818 /nfs/dbraw/zinc/85/88/18/483858818.db2.gz DJXCTZWVDDGJCK-NEPJUHHUSA-N -1 0 369.418 -0.548 20 0 FBADRM COCC[C@H](C)NC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652647869 483858816 /nfs/dbraw/zinc/85/88/16/483858816.db2.gz DJXCTZWVDDGJCK-NWDGAFQWSA-N -1 0 369.418 -0.548 20 0 FBADRM COCC[C@H](C)NC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652647870 483858798 /nfs/dbraw/zinc/85/87/98/483858798.db2.gz DJXCTZWVDDGJCK-RYUDHWBXSA-N -1 0 369.418 -0.548 20 0 FBADRM COCC[C@@H](C)NC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652647871 483858801 /nfs/dbraw/zinc/85/88/01/483858801.db2.gz DJXCTZWVDDGJCK-VXGBXAGGSA-N -1 0 369.418 -0.548 20 0 FBADRM C[C@H](CNC(=O)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)S(C)(=O)=O ZINC000652647890 483858849 /nfs/dbraw/zinc/85/88/49/483858849.db2.gz DMKAOTYBXPGWDW-BDJLRTHQSA-N -1 0 370.427 -0.306 20 0 FBADRM C[C@H](CNC(=O)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)S(C)(=O)=O ZINC000652647891 483858809 /nfs/dbraw/zinc/85/88/09/483858809.db2.gz DMKAOTYBXPGWDW-BZNIZROVSA-N -1 0 370.427 -0.306 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)S(C)(=O)=O ZINC000652647892 483858659 /nfs/dbraw/zinc/85/86/59/483858659.db2.gz DMKAOTYBXPGWDW-MEDUHNTESA-N -1 0 370.427 -0.306 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)S(C)(=O)=O ZINC000652647893 483858808 /nfs/dbraw/zinc/85/88/08/483858808.db2.gz DMKAOTYBXPGWDW-ZBEGNZNMSA-N -1 0 370.427 -0.306 20 0 FBADRM CC(C)=CCNC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652647898 483858799 /nfs/dbraw/zinc/85/87/99/483858799.db2.gz DOLZABDOJCYDPL-GFCCVEGCSA-N -1 0 351.403 -0.007 20 0 FBADRM CC(C)=CCNC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652647899 483858844 /nfs/dbraw/zinc/85/88/44/483858844.db2.gz DOLZABDOJCYDPL-LBPRGKRZSA-N -1 0 351.403 -0.007 20 0 FBADRM CN1C[C@H](NC(=O)C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CCC1=O ZINC000652647994 483858812 /nfs/dbraw/zinc/85/88/12/483858812.db2.gz GWAUNLRBKIQNJS-ACJLOTCBSA-N -1 0 361.398 -0.118 20 0 FBADRM CN1C[C@H](NC(=O)C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)CCC1=O ZINC000652647995 483858827 /nfs/dbraw/zinc/85/88/27/483858827.db2.gz GWAUNLRBKIQNJS-FZKQIMNGSA-N -1 0 361.398 -0.118 20 0 FBADRM CN1C[C@@H](NC(=O)C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)CCC1=O ZINC000652647996 483858824 /nfs/dbraw/zinc/85/88/24/483858824.db2.gz GWAUNLRBKIQNJS-SCLBCKFNSA-N -1 0 361.398 -0.118 20 0 FBADRM CN1C[C@@H](NC(=O)C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CCC1=O ZINC000652647997 483858813 /nfs/dbraw/zinc/85/88/13/483858813.db2.gz GWAUNLRBKIQNJS-UGSOOPFHSA-N -1 0 361.398 -0.118 20 0 FBADRM C[C@@](CNC(=O)C(=O)NCCCn1ccnn1)(C(=O)[O-])c1ccccc1 ZINC000652648104 483858697 /nfs/dbraw/zinc/85/86/97/483858697.db2.gz JIRJRVAEUYUSBA-KRWDZBQOSA-N -1 0 359.386 -0.057 20 0 FBADRM C[C@](CNC(=O)C(=O)NCCCn1ccnn1)(C(=O)[O-])c1ccccc1 ZINC000652648105 483858839 /nfs/dbraw/zinc/85/88/39/483858839.db2.gz JIRJRVAEUYUSBA-QGZVFWFLSA-N -1 0 359.386 -0.057 20 0 FBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000652648217 483858803 /nfs/dbraw/zinc/85/88/03/483858803.db2.gz KWRVTWKYGFPAOX-PXAZEXFGSA-N -1 0 359.386 -0.059 20 0 FBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000652648218 483858790 /nfs/dbraw/zinc/85/87/90/483858790.db2.gz KWRVTWKYGFPAOX-SJCJKPOMSA-N -1 0 359.386 -0.059 20 0 FBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000652648219 483858800 /nfs/dbraw/zinc/85/88/00/483858800.db2.gz KWRVTWKYGFPAOX-SJKOYZFVSA-N -1 0 359.386 -0.059 20 0 FBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000652648220 483858716 /nfs/dbraw/zinc/85/87/16/483858716.db2.gz KWRVTWKYGFPAOX-YVEFUNNKSA-N -1 0 359.386 -0.059 20 0 FBADRM COC[C@H](C)CNC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652648229 483858832 /nfs/dbraw/zinc/85/88/32/483858832.db2.gz LAHBTKOUEDZFPZ-NEPJUHHUSA-N -1 0 369.418 -0.691 20 0 FBADRM COC[C@@H](C)CNC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652648230 483858859 /nfs/dbraw/zinc/85/88/59/483858859.db2.gz LAHBTKOUEDZFPZ-NWDGAFQWSA-N -1 0 369.418 -0.691 20 0 FBADRM COC[C@@H](C)CNC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652648231 483858826 /nfs/dbraw/zinc/85/88/26/483858826.db2.gz LAHBTKOUEDZFPZ-RYUDHWBXSA-N -1 0 369.418 -0.691 20 0 FBADRM COC[C@H](C)CNC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652648232 483858846 /nfs/dbraw/zinc/85/88/46/483858846.db2.gz LAHBTKOUEDZFPZ-VXGBXAGGSA-N -1 0 369.418 -0.691 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)N[C@@H]3CCSC3)CC2)C1 ZINC000652648299 483858819 /nfs/dbraw/zinc/85/88/19/483858819.db2.gz LQVLTXJOAWSDOI-GHMZBOCLSA-N -1 0 369.443 -0.468 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)N[C@H]3CCSC3)CC2)C1 ZINC000652648300 483858834 /nfs/dbraw/zinc/85/88/34/483858834.db2.gz LQVLTXJOAWSDOI-MNOVXSKESA-N -1 0 369.443 -0.468 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C(=O)N[C@H]3CCSC3)CC2)C1 ZINC000652648301 483858837 /nfs/dbraw/zinc/85/88/37/483858837.db2.gz LQVLTXJOAWSDOI-QWRGUYRKSA-N -1 0 369.443 -0.468 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C(=O)N[C@@H]3CCSC3)CC2)C1 ZINC000652648302 483858833 /nfs/dbraw/zinc/85/88/33/483858833.db2.gz LQVLTXJOAWSDOI-WDEREUQCSA-N -1 0 369.443 -0.468 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)NCCC3CC3)CC2)C1 ZINC000652648339 483858817 /nfs/dbraw/zinc/85/88/17/483858817.db2.gz MMYNESAJPHBDOJ-GFCCVEGCSA-N -1 0 351.403 -0.173 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C(=O)NCCC3CC3)CC2)C1 ZINC000652648340 483858738 /nfs/dbraw/zinc/85/87/38/483858738.db2.gz MMYNESAJPHBDOJ-LBPRGKRZSA-N -1 0 351.403 -0.173 20 0 FBADRM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000652648733 483859240 /nfs/dbraw/zinc/85/92/40/483859240.db2.gz SSLWNTWHZDCVPM-BDJLRTHQSA-N -1 0 370.427 -0.306 20 0 FBADRM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000652648734 483859264 /nfs/dbraw/zinc/85/92/64/483859264.db2.gz SSLWNTWHZDCVPM-BZNIZROVSA-N -1 0 370.427 -0.306 20 0 FBADRM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000652648735 483859223 /nfs/dbraw/zinc/85/92/23/483859223.db2.gz SSLWNTWHZDCVPM-MEDUHNTESA-N -1 0 370.427 -0.306 20 0 FBADRM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000652648736 483859269 /nfs/dbraw/zinc/85/92/69/483859269.db2.gz SSLWNTWHZDCVPM-ZBEGNZNMSA-N -1 0 370.427 -0.306 20 0 FBADRM CC1CC(NC(=O)C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)C1 ZINC000652648798 483859017 /nfs/dbraw/zinc/85/90/17/483859017.db2.gz VDSFVMJNEPQUPS-CXQJBGSLSA-N -1 0 351.403 -0.175 20 0 FBADRM CC1CC(NC(=O)C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)C1 ZINC000652648799 483859198 /nfs/dbraw/zinc/85/91/98/483859198.db2.gz VDSFVMJNEPQUPS-MOENNCHZSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@](CNC(=O)C(=O)NC[C@H]1CCCC(=O)N1)(C(=O)[O-])c1ccccc1 ZINC000652648867 483859164 /nfs/dbraw/zinc/85/91/64/483859164.db2.gz WGXBDIROFQKXNQ-ACJLOTCBSA-N -1 0 361.398 -0.070 20 0 FBADRM C[C@](CNC(=O)C(=O)NC[C@H]1CCCC(=O)N1)(C(=O)[O-])c1ccccc1 ZINC000652648868 483859288 /nfs/dbraw/zinc/85/92/88/483859288.db2.gz WGXBDIROFQKXNQ-FZKQIMNGSA-N -1 0 361.398 -0.070 20 0 FBADRM C[C@](CNC(=O)C(=O)NC[C@@H]1CCCC(=O)N1)(C(=O)[O-])c1ccccc1 ZINC000652648869 483859262 /nfs/dbraw/zinc/85/92/62/483859262.db2.gz WGXBDIROFQKXNQ-SCLBCKFNSA-N -1 0 361.398 -0.070 20 0 FBADRM C[C@@](CNC(=O)C(=O)NC[C@@H]1CCCC(=O)N1)(C(=O)[O-])c1ccccc1 ZINC000652648870 483859303 /nfs/dbraw/zinc/85/93/03/483859303.db2.gz WGXBDIROFQKXNQ-UGSOOPFHSA-N -1 0 361.398 -0.070 20 0 FBADRM C[C@@](CNC(=O)C(=O)NCc1nnnn1C1CC1)(C(=O)[O-])c1ccccc1 ZINC000652649541 483859207 /nfs/dbraw/zinc/85/92/07/483859207.db2.gz HOJHWJFZCQYYOQ-KRWDZBQOSA-N -1 0 372.385 -0.217 20 0 FBADRM C[C@](CNC(=O)C(=O)NCc1nnnn1C1CC1)(C(=O)[O-])c1ccccc1 ZINC000652649542 483859230 /nfs/dbraw/zinc/85/92/30/483859230.db2.gz HOJHWJFZCQYYOQ-QGZVFWFLSA-N -1 0 372.385 -0.217 20 0 FBADRM CC1(CNC(=O)C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)CC1 ZINC000652649565 483859252 /nfs/dbraw/zinc/85/92/52/483859252.db2.gz HXKIKVJPGUHTST-LLVKDONJSA-N -1 0 351.403 -0.173 20 0 FBADRM CC1(CNC(=O)C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)CC1 ZINC000652649566 483859241 /nfs/dbraw/zinc/85/92/41/483859241.db2.gz HXKIKVJPGUHTST-NSHDSACASA-N -1 0 351.403 -0.173 20 0 FBADRM CC(C)(O)CCNC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652650197 483860044 /nfs/dbraw/zinc/86/00/44/483860044.db2.gz UBXYIVMXYFCLHD-LLVKDONJSA-N -1 0 369.418 -0.812 20 0 FBADRM CC(C)(O)CCNC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652650198 483860175 /nfs/dbraw/zinc/86/01/75/483860175.db2.gz UBXYIVMXYFCLHD-NSHDSACASA-N -1 0 369.418 -0.812 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)CC2)C1 ZINC000652652896 483865928 /nfs/dbraw/zinc/86/59/28/483865928.db2.gz BBFKMRLMJCMHFN-DNVSUFBTSA-N -1 0 363.414 -0.175 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)CC2)C1 ZINC000652652897 483865646 /nfs/dbraw/zinc/86/56/46/483865646.db2.gz BBFKMRLMJCMHFN-IKVITTDRSA-N -1 0 363.414 -0.175 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C(=O)N[C@H]3[C@@H]4CCC[C@@H]43)CC2)C1 ZINC000652652898 483865542 /nfs/dbraw/zinc/86/55/42/483865542.db2.gz BBFKMRLMJCMHFN-MUYACECFSA-N -1 0 363.414 -0.175 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)N[C@H]3[C@@H]4CCC[C@@H]43)CC2)C1 ZINC000652652899 483865522 /nfs/dbraw/zinc/86/55/22/483865522.db2.gz BBFKMRLMJCMHFN-PBOSXPJTSA-N -1 0 363.414 -0.175 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C(=O)N[C@@H]3C[C@H]3C3CC3)CC2)C1 ZINC000652653538 483865856 /nfs/dbraw/zinc/86/58/56/483865856.db2.gz NTILBMOSMSRASG-FPMFFAJLSA-N -1 0 363.414 -0.175 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)N[C@@H]3C[C@H]3C3CC3)CC2)C1 ZINC000652653539 483865868 /nfs/dbraw/zinc/86/58/68/483865868.db2.gz NTILBMOSMSRASG-KWCYVHTRSA-N -1 0 363.414 -0.175 20 0 FBADRM C[C@@](CNC(=O)C(=O)NC[C@@]1(C)CCC(=O)N1)(C(=O)[O-])c1ccccc1 ZINC000652653642 483865953 /nfs/dbraw/zinc/86/59/53/483865953.db2.gz PTQYQARPKXCDHI-MSOLQXFVSA-N -1 0 361.398 -0.070 20 0 FBADRM C[C@](CNC(=O)C(=O)NC[C@@]1(C)CCC(=O)N1)(C(=O)[O-])c1ccccc1 ZINC000652653643 483865943 /nfs/dbraw/zinc/86/59/43/483865943.db2.gz PTQYQARPKXCDHI-QZTJIDSGSA-N -1 0 361.398 -0.070 20 0 FBADRM C[C@@](CNC(=O)C(=O)NC[C@]1(C)CCC(=O)N1)(C(=O)[O-])c1ccccc1 ZINC000652653644 483865655 /nfs/dbraw/zinc/86/56/55/483865655.db2.gz PTQYQARPKXCDHI-ROUUACIJSA-N -1 0 361.398 -0.070 20 0 FBADRM C[C@](CNC(=O)C(=O)NC[C@]1(C)CCC(=O)N1)(C(=O)[O-])c1ccccc1 ZINC000652653645 483865930 /nfs/dbraw/zinc/86/59/30/483865930.db2.gz PTQYQARPKXCDHI-ZWKOTPCHSA-N -1 0 361.398 -0.070 20 0 FBADRM C[C@@](CNC(=O)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1)(C(=O)[O-])c1ccccc1 ZINC000652653829 483866358 /nfs/dbraw/zinc/86/63/58/483866358.db2.gz UEMFNKUNMDGFND-SRBZOADZSA-N -1 0 361.398 -0.085 20 0 FBADRM C[C@](CNC(=O)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1)(C(=O)[O-])c1ccccc1 ZINC000652653830 483866136 /nfs/dbraw/zinc/86/61/36/483866136.db2.gz UEMFNKUNMDGFND-WHWRDJHUSA-N -1 0 361.398 -0.085 20 0 FBADRM CCOC[C@H](C)NC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652654040 483866240 /nfs/dbraw/zinc/86/62/40/483866240.db2.gz XOTHINZZOKTJAW-NWDGAFQWSA-N -1 0 369.418 -0.548 20 0 FBADRM CCOC[C@H](C)NC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652654041 483866328 /nfs/dbraw/zinc/86/63/28/483866328.db2.gz XOTHINZZOKTJAW-RYUDHWBXSA-N -1 0 369.418 -0.548 20 0 FBADRM COC[C@@H](CNC(=O)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)OC ZINC000652654108 483866309 /nfs/dbraw/zinc/86/63/09/483866309.db2.gz YWALVWVHAOQNRK-CXAGYDPISA-N -1 0 352.387 -0.077 20 0 FBADRM COC[C@@H](CNC(=O)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)OC ZINC000652654109 483866324 /nfs/dbraw/zinc/86/63/24/483866324.db2.gz YWALVWVHAOQNRK-DYVFJYSZSA-N -1 0 352.387 -0.077 20 0 FBADRM COC[C@H](CNC(=O)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)OC ZINC000652654110 483866322 /nfs/dbraw/zinc/86/63/22/483866322.db2.gz YWALVWVHAOQNRK-GUYCJALGSA-N -1 0 352.387 -0.077 20 0 FBADRM COC[C@H](CNC(=O)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)OC ZINC000652654111 483866226 /nfs/dbraw/zinc/86/62/26/483866226.db2.gz YWALVWVHAOQNRK-SUMWQHHRSA-N -1 0 352.387 -0.077 20 0 FBADRM CC[C@@H]1C[C@H]1NC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652654116 483866333 /nfs/dbraw/zinc/86/63/33/483866333.db2.gz YYKVJBVWWHPVHK-NQBHXWOUSA-N -1 0 351.403 -0.175 20 0 FBADRM CC[C@@H]1C[C@H]1NC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652654117 483866040 /nfs/dbraw/zinc/86/60/40/483866040.db2.gz YYKVJBVWWHPVHK-NTZNESFSSA-N -1 0 351.403 -0.175 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)CO1 ZINC000652654288 483866253 /nfs/dbraw/zinc/86/62/53/483866253.db2.gz BXOFHIRASLARIL-GRYCIOLGSA-N -1 0 367.402 -0.796 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)CO1 ZINC000652654289 483866260 /nfs/dbraw/zinc/86/62/60/483866260.db2.gz BXOFHIRASLARIL-IJLUTSLNSA-N -1 0 367.402 -0.796 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)CO1 ZINC000652654290 483866229 /nfs/dbraw/zinc/86/62/29/483866229.db2.gz BXOFHIRASLARIL-UTUOFQBUSA-N -1 0 367.402 -0.796 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)CO1 ZINC000652654291 483866307 /nfs/dbraw/zinc/86/63/07/483866307.db2.gz BXOFHIRASLARIL-WOPDTQHZSA-N -1 0 367.402 -0.796 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000652654483 483866463 /nfs/dbraw/zinc/86/64/63/483866463.db2.gz IGNFGINUNQKYIV-GFCCVEGCSA-N -1 0 369.399 -0.849 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000652654484 483866744 /nfs/dbraw/zinc/86/67/44/483866744.db2.gz IGNFGINUNQKYIV-LBPRGKRZSA-N -1 0 369.399 -0.849 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C(=O)N[C@@H]3C[C@H]4C[C@H]4C3)CC2)C1 ZINC000652654871 483866514 /nfs/dbraw/zinc/86/65/14/483866514.db2.gz RDFWHVVEGDCMAT-RNJOBUHISA-N -1 0 363.414 -0.175 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)N[C@@H]3C[C@H]4C[C@H]4C3)CC2)C1 ZINC000652654874 483866461 /nfs/dbraw/zinc/86/64/61/483866461.db2.gz RDFWHVVEGDCMAT-YVECIDJPSA-N -1 0 363.414 -0.175 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCn3c(CC4CC4)nnc3C2)C1 ZINC000652654989 483866430 /nfs/dbraw/zinc/86/64/30/483866430.db2.gz UTHGULOZRBZPHY-NEPJUHHUSA-N -1 0 361.402 -0.058 20 0 FBADRM Cn1nccc1[C@H]1COCCN1C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000652655109 483866728 /nfs/dbraw/zinc/86/67/28/483866728.db2.gz XSCKQYUCMPQBRX-DMDPSCGWSA-N -1 0 350.375 -0.311 20 0 FBADRM Cn1nccc1[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000652655110 483866720 /nfs/dbraw/zinc/86/67/20/483866720.db2.gz XSCKQYUCMPQBRX-LOWVWBTDSA-N -1 0 350.375 -0.311 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCc2cc(=O)n3ccccc3n2)C1 ZINC000652655150 483866575 /nfs/dbraw/zinc/86/65/75/483866575.db2.gz YTBRNMDYXBLIRC-MNOVXSKESA-N -1 0 358.354 -0.320 20 0 FBADRM Cn1nccc1[C@H]1COCCN1C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000652655177 483867070 /nfs/dbraw/zinc/86/70/70/483867070.db2.gz ZNIYJUVZGCOQFI-GFCCVEGCSA-N -1 0 352.391 -0.063 20 0 FBADRM Cn1nccc1[C@@H]1COCCN1C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000652655178 483866945 /nfs/dbraw/zinc/86/69/45/483866945.db2.gz ZNIYJUVZGCOQFI-LBPRGKRZSA-N -1 0 352.391 -0.063 20 0 FBADRM C[C@](CNC(=O)C(=O)NCCN1CCCC1=O)(C(=O)[O-])c1ccccc1 ZINC000652655757 483867050 /nfs/dbraw/zinc/86/70/50/483867050.db2.gz MPMMAUBJRUTYGE-GOSISDBHSA-N -1 0 361.398 -0.116 20 0 FBADRM C[C@@](CNC(=O)C(=O)NCCN1CCCC1=O)(C(=O)[O-])c1ccccc1 ZINC000652655758 483867040 /nfs/dbraw/zinc/86/70/40/483867040.db2.gz MPMMAUBJRUTYGE-SFHVURJKSA-N -1 0 361.398 -0.116 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C(=O)N3CCC(F)(F)C3)CC2)C1 ZINC000652656452 483867329 /nfs/dbraw/zinc/86/73/29/483867329.db2.gz BFSVVNSZPIVAHG-JTQLQIEISA-N -1 0 373.356 -0.222 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)N3CCC(F)(F)C3)CC2)C1 ZINC000652656453 483867527 /nfs/dbraw/zinc/86/75/27/483867527.db2.gz BFSVVNSZPIVAHG-SNVBAGLBSA-N -1 0 373.356 -0.222 20 0 FBADRM CN(CC1CC1)C(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652656458 483867514 /nfs/dbraw/zinc/86/75/14/483867514.db2.gz BNHDMABTGWQHCP-GFCCVEGCSA-N -1 0 351.403 -0.221 20 0 FBADRM CN(CC1CC1)C(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652656459 483867298 /nfs/dbraw/zinc/86/72/98/483867298.db2.gz BNHDMABTGWQHCP-LBPRGKRZSA-N -1 0 351.403 -0.221 20 0 FBADRM COCCN(C)C(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652656812 483867431 /nfs/dbraw/zinc/86/74/31/483867431.db2.gz MUVAWZRNXPIJIO-LLVKDONJSA-N -1 0 355.391 -0.985 20 0 FBADRM COCCN(C)C(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652656813 483867410 /nfs/dbraw/zinc/86/74/10/483867410.db2.gz MUVAWZRNXPIJIO-NSHDSACASA-N -1 0 355.391 -0.985 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)C1 ZINC000652656841 483867480 /nfs/dbraw/zinc/86/74/80/483867480.db2.gz NKPXYLCYXVXMPH-NEPJUHHUSA-N -1 0 351.403 -0.221 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)C1 ZINC000652656842 483867495 /nfs/dbraw/zinc/86/74/95/483867495.db2.gz NKPXYLCYXVXMPH-NWDGAFQWSA-N -1 0 351.403 -0.221 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)C1 ZINC000652656843 483867238 /nfs/dbraw/zinc/86/72/38/483867238.db2.gz NKPXYLCYXVXMPH-RYUDHWBXSA-N -1 0 351.403 -0.221 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)C1 ZINC000652656844 483867444 /nfs/dbraw/zinc/86/74/44/483867444.db2.gz NKPXYLCYXVXMPH-VXGBXAGGSA-N -1 0 351.403 -0.221 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)CCO1 ZINC000652656942 483867928 /nfs/dbraw/zinc/86/79/28/483867928.db2.gz QLWHWIRTTIXRGN-NEPJUHHUSA-N -1 0 367.402 -0.842 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)CCO1 ZINC000652656943 483867669 /nfs/dbraw/zinc/86/76/69/483867669.db2.gz QLWHWIRTTIXRGN-NWDGAFQWSA-N -1 0 367.402 -0.842 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)CCO1 ZINC000652656944 483867809 /nfs/dbraw/zinc/86/78/09/483867809.db2.gz QLWHWIRTTIXRGN-RYUDHWBXSA-N -1 0 367.402 -0.842 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)CCO1 ZINC000652656945 483867961 /nfs/dbraw/zinc/86/79/61/483867961.db2.gz QLWHWIRTTIXRGN-VXGBXAGGSA-N -1 0 367.402 -0.842 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)N3CCSCC3)CC2)C1 ZINC000652656965 483867505 /nfs/dbraw/zinc/86/75/05/483867505.db2.gz RBVFPCDEQZXBTN-LLVKDONJSA-N -1 0 369.443 -0.514 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C(=O)N3CCSCC3)CC2)C1 ZINC000652656966 483867386 /nfs/dbraw/zinc/86/73/86/483867386.db2.gz RBVFPCDEQZXBTN-NSHDSACASA-N -1 0 369.443 -0.514 20 0 FBADRM Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000652657182 483867704 /nfs/dbraw/zinc/86/77/04/483867704.db2.gz XBFREXWZYCJYEN-AAEUAGOBSA-N -1 0 363.370 -0.809 20 0 FBADRM Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000652657184 483867764 /nfs/dbraw/zinc/86/77/64/483867764.db2.gz XBFREXWZYCJYEN-DGCLKSJQSA-N -1 0 363.370 -0.809 20 0 FBADRM Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000652657186 483867618 /nfs/dbraw/zinc/86/76/18/483867618.db2.gz XBFREXWZYCJYEN-WCQYABFASA-N -1 0 363.370 -0.809 20 0 FBADRM Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000652657188 483867820 /nfs/dbraw/zinc/86/78/20/483867820.db2.gz XBFREXWZYCJYEN-YPMHNXCESA-N -1 0 363.370 -0.809 20 0 FBADRM CCN(C(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1)C1CC1 ZINC000652657306 483867913 /nfs/dbraw/zinc/86/79/13/483867913.db2.gz YWTOCQPAIHRVSB-LLVKDONJSA-N -1 0 351.403 -0.079 20 0 FBADRM CCN(C(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1)C1CC1 ZINC000652657307 483867696 /nfs/dbraw/zinc/86/76/96/483867696.db2.gz YWTOCQPAIHRVSB-NSHDSACASA-N -1 0 351.403 -0.079 20 0 FBADRM CN(CC(C)(C)O)C(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652657374 483867605 /nfs/dbraw/zinc/86/76/05/483867605.db2.gz BHHIJJDDSDSXKB-LLVKDONJSA-N -1 0 369.418 -0.860 20 0 FBADRM CN(CC(C)(C)O)C(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652657375 483867655 /nfs/dbraw/zinc/86/76/55/483867655.db2.gz BHHIJJDDSDSXKB-NSHDSACASA-N -1 0 369.418 -0.860 20 0 FBADRM C[C@@H]1COCCN1C(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652657498 483867784 /nfs/dbraw/zinc/86/77/84/483867784.db2.gz FLGPKDUZBKMJRL-NEPJUHHUSA-N -1 0 367.402 -0.842 20 0 FBADRM C[C@@H]1COCCN1C(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652657499 483867622 /nfs/dbraw/zinc/86/76/22/483867622.db2.gz FLGPKDUZBKMJRL-VXGBXAGGSA-N -1 0 367.402 -0.842 20 0 FBADRM COCCCN(C)C(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652657609 483867941 /nfs/dbraw/zinc/86/79/41/483867941.db2.gz INNYLPMHHDPNOT-GFCCVEGCSA-N -1 0 369.418 -0.595 20 0 FBADRM COCCCN(C)C(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652657610 483867812 /nfs/dbraw/zinc/86/78/12/483867812.db2.gz INNYLPMHHDPNOT-LBPRGKRZSA-N -1 0 369.418 -0.595 20 0 FBADRM CO[C@H]1CCN(C(=O)C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)C1 ZINC000652657679 483867787 /nfs/dbraw/zinc/86/77/87/483867787.db2.gz KMNJRIFIVUJVJH-AAEUAGOBSA-N -1 0 367.402 -0.842 20 0 FBADRM CO[C@H]1CCN(C(=O)C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)C1 ZINC000652657680 483867952 /nfs/dbraw/zinc/86/79/52/483867952.db2.gz KMNJRIFIVUJVJH-YPMHNXCESA-N -1 0 367.402 -0.842 20 0 FBADRM CCOCCN(C)C(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652657939 483868141 /nfs/dbraw/zinc/86/81/41/483868141.db2.gz ROQVEBQCBBOCLC-GFCCVEGCSA-N -1 0 369.418 -0.595 20 0 FBADRM CCOCCN(C)C(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652657940 483868290 /nfs/dbraw/zinc/86/82/90/483868290.db2.gz ROQVEBQCBBOCLC-LBPRGKRZSA-N -1 0 369.418 -0.595 20 0 FBADRM C[C@@H]1CCCN1C(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652658019 483868327 /nfs/dbraw/zinc/86/83/27/483868327.db2.gz UDLCMMLLMIMASZ-NEPJUHHUSA-N -1 0 351.403 -0.079 20 0 FBADRM C[C@H]1CCCN1C(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652658020 483868268 /nfs/dbraw/zinc/86/82/68/483868268.db2.gz UDLCMMLLMIMASZ-NWDGAFQWSA-N -1 0 351.403 -0.079 20 0 FBADRM C[C@H]1CCCN1C(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652658021 483868307 /nfs/dbraw/zinc/86/83/07/483868307.db2.gz UDLCMMLLMIMASZ-RYUDHWBXSA-N -1 0 351.403 -0.079 20 0 FBADRM C[C@@H]1CCCN1C(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652658022 483868278 /nfs/dbraw/zinc/86/82/78/483868278.db2.gz UDLCMMLLMIMASZ-VXGBXAGGSA-N -1 0 351.403 -0.079 20 0 FBADRM CN(C(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1)C1CCC1 ZINC000652658114 483868238 /nfs/dbraw/zinc/86/82/38/483868238.db2.gz WGRLZKRHZLHWDD-LLVKDONJSA-N -1 0 351.403 -0.079 20 0 FBADRM CN(C(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1)C1CCC1 ZINC000652658115 483868091 /nfs/dbraw/zinc/86/80/91/483868091.db2.gz WGRLZKRHZLHWDD-NSHDSACASA-N -1 0 351.403 -0.079 20 0 FBADRM CCN(CCCO)C(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652658459 483868366 /nfs/dbraw/zinc/86/83/66/483868366.db2.gz AZCVQWCYURACQY-GFCCVEGCSA-N -1 0 369.418 -0.859 20 0 FBADRM CCN(CCCO)C(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652658460 483868262 /nfs/dbraw/zinc/86/82/62/483868262.db2.gz AZCVQWCYURACQY-LBPRGKRZSA-N -1 0 369.418 -0.859 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)N3CCC=C(F)C3)CC2)C1 ZINC000652659485 483868659 /nfs/dbraw/zinc/86/86/59/483868659.db2.gz UUZNSLKMCRTKEE-LLVKDONJSA-N -1 0 367.377 -0.004 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C(=O)N3CCC=C(F)C3)CC2)C1 ZINC000652659486 483868864 /nfs/dbraw/zinc/86/88/64/483868864.db2.gz UUZNSLKMCRTKEE-NSHDSACASA-N -1 0 367.377 -0.004 20 0 FBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCn3c(CC4CC4)nnc3C2)CC1 ZINC000652661050 483870111 /nfs/dbraw/zinc/87/01/11/483870111.db2.gz ZYDHNUUROUKSSG-UHFFFAOYSA-N -1 0 361.402 -0.104 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)N3CC[C@@H](F)C3)CC2)C1 ZINC000652661195 483869763 /nfs/dbraw/zinc/86/97/63/483869763.db2.gz FPLOZLCAIMEJJB-GHMZBOCLSA-N -1 0 355.366 -0.519 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)N3CC[C@H](F)C3)CC2)C1 ZINC000652661196 483869937 /nfs/dbraw/zinc/86/99/37/483869937.db2.gz FPLOZLCAIMEJJB-MNOVXSKESA-N -1 0 355.366 -0.519 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C(=O)N3CC[C@H](F)C3)CC2)C1 ZINC000652661197 483869934 /nfs/dbraw/zinc/86/99/34/483869934.db2.gz FPLOZLCAIMEJJB-QWRGUYRKSA-N -1 0 355.366 -0.519 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C(=O)N3CC[C@@H](F)C3)CC2)C1 ZINC000652661198 483869820 /nfs/dbraw/zinc/86/98/20/483869820.db2.gz FPLOZLCAIMEJJB-WDEREUQCSA-N -1 0 355.366 -0.519 20 0 FBADRM CO[C@H](C)CN(C)C(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652661607 483870329 /nfs/dbraw/zinc/87/03/29/483870329.db2.gz VHWXVFZPGBZCNZ-NEPJUHHUSA-N -1 0 369.418 -0.596 20 0 FBADRM CO[C@@H](C)CN(C)C(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652661608 483870383 /nfs/dbraw/zinc/87/03/83/483870383.db2.gz VHWXVFZPGBZCNZ-NWDGAFQWSA-N -1 0 369.418 -0.596 20 0 FBADRM CO[C@@H](C)CN(C)C(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652661609 483870115 /nfs/dbraw/zinc/87/01/15/483870115.db2.gz VHWXVFZPGBZCNZ-RYUDHWBXSA-N -1 0 369.418 -0.596 20 0 FBADRM CO[C@H](C)CN(C)C(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652661610 483870081 /nfs/dbraw/zinc/87/00/81/483870081.db2.gz VHWXVFZPGBZCNZ-VXGBXAGGSA-N -1 0 369.418 -0.596 20 0 FBADRM Cn1nccc1[C@H]1COCCN1C(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000652661980 483870599 /nfs/dbraw/zinc/87/05/99/483870599.db2.gz DYDNSDQUBBGSFQ-CYBMUJFWSA-N -1 0 350.375 -0.357 20 0 FBADRM Cn1nccc1[C@@H]1COCCN1C(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000652661981 483870626 /nfs/dbraw/zinc/87/06/26/483870626.db2.gz DYDNSDQUBBGSFQ-ZDUSSCGKSA-N -1 0 350.375 -0.357 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCOC[C@H]2c2ccnn2C)C[C@H]1C(=O)[O-] ZINC000652662028 483870579 /nfs/dbraw/zinc/87/05/79/483870579.db2.gz GGKTZWIWSREMHW-BZPMIXESSA-N -1 0 364.402 -0.111 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCOC[C@H]2c2ccnn2C)C[C@@H]1C(=O)[O-] ZINC000652662029 483870647 /nfs/dbraw/zinc/87/06/47/483870647.db2.gz GGKTZWIWSREMHW-DYEKYZERSA-N -1 0 364.402 -0.111 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCOC[C@@H]2c2ccnn2C)C[C@@H]1C(=O)[O-] ZINC000652662030 483870578 /nfs/dbraw/zinc/87/05/78/483870578.db2.gz GGKTZWIWSREMHW-MBNYWOFBSA-N -1 0 364.402 -0.111 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCOC[C@@H]2c2ccnn2C)C[C@H]1C(=O)[O-] ZINC000652662031 483870766 /nfs/dbraw/zinc/87/07/66/483870766.db2.gz GGKTZWIWSREMHW-YRGRVCCFSA-N -1 0 364.402 -0.111 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCOC[C@H]2c2ccnn2C)C1 ZINC000652662326 483870907 /nfs/dbraw/zinc/87/09/07/483870907.db2.gz OYJCVXFCCKOPGB-BZPMIXESSA-N -1 0 364.402 -0.111 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCOC[C@H]2c2ccnn2C)C1 ZINC000652662327 483870641 /nfs/dbraw/zinc/87/06/41/483870641.db2.gz OYJCVXFCCKOPGB-DYEKYZERSA-N -1 0 364.402 -0.111 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCOC[C@@H]2c2ccnn2C)C1 ZINC000652662328 483870815 /nfs/dbraw/zinc/87/08/15/483870815.db2.gz OYJCVXFCCKOPGB-MBNYWOFBSA-N -1 0 364.402 -0.111 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCOC[C@@H]2c2ccnn2C)C1 ZINC000652662329 483870656 /nfs/dbraw/zinc/87/06/56/483870656.db2.gz OYJCVXFCCKOPGB-YRGRVCCFSA-N -1 0 364.402 -0.111 20 0 FBADRM CN(C)S(=O)(=O)N[C@H](CNC(=O)N=c1cccn[n-]1)C1CCCC1 ZINC000652677474 483889927 /nfs/dbraw/zinc/88/99/27/483889927.db2.gz MONXNKUZHLBOHO-GFCCVEGCSA-N -1 0 356.452 -0.025 20 0 FBADRM CN(C)S(=O)(=O)N[C@@H](CNC(=O)N=c1cccn[n-]1)C1CCCC1 ZINC000652677475 483889921 /nfs/dbraw/zinc/88/99/21/483889921.db2.gz MONXNKUZHLBOHO-LBPRGKRZSA-N -1 0 356.452 -0.025 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N=c2ncn(C(C)C)[n-]2)c1 ZINC000652727439 483517505 /nfs/dbraw/zinc/51/75/05/483517505.db2.gz RPFRPBZTYLZSMY-UHFFFAOYSA-N -1 0 356.408 -0.214 20 0 FBADRM CC(C)n1cnc(=NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)[n-]1 ZINC000652727621 483525269 /nfs/dbraw/zinc/52/52/69/483525269.db2.gz ZQUMTUCXFUPLLD-UHFFFAOYSA-N -1 0 351.388 -0.208 20 0 FBADRM COC[C@@H]1C[C@@H](O)CN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000652779249 484020377 /nfs/dbraw/zinc/02/03/77/484020377.db2.gz ZAWJGAJGKAAKSS-VHSXEESVSA-N -1 0 364.370 -0.149 20 0 FBADRM COC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000652783085 484021744 /nfs/dbraw/zinc/02/17/44/484021744.db2.gz JPLATRZLOYXLDH-WDEREUQCSA-N -1 0 358.416 -0.136 20 0 FBADRM NC(=O)[C@H]1C[C@@H](NC(=O)c2cccc(C(=O)N[C@H]3C[C@@H](C(N)=O)C3)c2[O-])C1 ZINC000652792182 484032285 /nfs/dbraw/zinc/03/22/85/484032285.db2.gz QQAOZZDRLBQKRS-FDNPJPRYSA-N -1 0 374.397 -0.620 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCC[C@]2(O)CCOC2)c1 ZINC000652804365 484058738 /nfs/dbraw/zinc/05/87/38/484058738.db2.gz ZMODPLNTOZCPPP-HNNXBMFYSA-N -1 0 358.416 -0.086 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCC[C@@]2(O)CCOC2)c1 ZINC000652804366 484057712 /nfs/dbraw/zinc/05/77/12/484057712.db2.gz ZMODPLNTOZCPPP-OAHLLOKOSA-N -1 0 358.416 -0.086 20 0 FBADRM O=C(CNC(=O)c1cnc2ccccc2c1O)NCC[C@@]1(O)CCOC1 ZINC000652808499 484064320 /nfs/dbraw/zinc/06/43/20/484064320.db2.gz JXKGQKPBWOYBIT-GOSISDBHSA-N -1 0 359.382 -0.084 20 0 FBADRM O=C(CNC(=O)c1cnc2ccccc2c1O)NCC[C@]1(O)CCOC1 ZINC000652808500 484064522 /nfs/dbraw/zinc/06/45/22/484064522.db2.gz JXKGQKPBWOYBIT-SFHVURJKSA-N -1 0 359.382 -0.084 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NCC[C@]1(O)CCOC1 ZINC000652811744 484071569 /nfs/dbraw/zinc/07/15/69/484071569.db2.gz TWYUCEAIVZNQOA-AWEZNQCLSA-N -1 0 364.370 -0.099 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NCC[C@@]1(O)CCOC1 ZINC000652811745 484072141 /nfs/dbraw/zinc/07/21/41/484072141.db2.gz TWYUCEAIVZNQOA-CQSZACIVSA-N -1 0 364.370 -0.099 20 0 FBADRM COC[C@H]1C[C@@H](O)CN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000652821394 484080682 /nfs/dbraw/zinc/08/06/82/484080682.db2.gz JPLATRZLOYXLDH-GHMZBOCLSA-N -1 0 358.416 -0.136 20 0 FBADRM COC[C@H]1C[C@@H](O)CN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000652825877 484083410 /nfs/dbraw/zinc/08/34/10/484083410.db2.gz ZAWJGAJGKAAKSS-NXEZZACHSA-N -1 0 364.370 -0.149 20 0 FBADRM Cn1cc(CNC(=O)c2cccc(C(=O)NCc3cn(C)nn3)c2[O-])nn1 ZINC000652878466 484460570 /nfs/dbraw/zinc/46/05/70/484460570.db2.gz GDJGMEFRASIRPY-UHFFFAOYSA-N -1 0 370.373 -0.491 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC(N3CC[C@@H](O)C3)C2)c1 ZINC000652891594 484492030 /nfs/dbraw/zinc/49/20/30/484492030.db2.gz UOQIJOMVBMCLKW-GFCCVEGCSA-N -1 0 369.443 -0.467 20 0 FBADRM Cc1cc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000652901837 484543598 /nfs/dbraw/zinc/54/35/98/484543598.db2.gz QSUMNIGIHJQWPD-UHFFFAOYSA-N -1 0 370.373 -0.179 20 0 FBADRM COCC[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)C(C)(C)C1 ZINC000652926607 484218600 /nfs/dbraw/zinc/21/86/00/484218600.db2.gz GCQMZQFSVFJFRT-UHFFFAOYSA-N -1 0 373.479 -0.732 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCC2)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000653017087 484502384 /nfs/dbraw/zinc/50/23/84/484502384.db2.gz KGMFGEBVMCKPLN-AWEZNQCLSA-N -1 0 354.374 -0.200 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCC2)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000653017088 484502667 /nfs/dbraw/zinc/50/26/67/484502667.db2.gz KGMFGEBVMCKPLN-CQSZACIVSA-N -1 0 354.374 -0.200 20 0 FBADRM CC(C)(C)OCC(=O)NC(C)(C)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000653018182 484502323 /nfs/dbraw/zinc/50/23/23/484502323.db2.gz RPOOLTHRBSUNFM-UHFFFAOYSA-N -1 0 361.424 -0.143 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC000653284489 484315499 /nfs/dbraw/zinc/31/54/99/484315499.db2.gz JCHBSUPCZBYQTH-NWDGAFQWSA-N -1 0 365.386 -0.693 20 0 FBADRM CCC(CC)(C(=O)[O-])C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000653284668 484320238 /nfs/dbraw/zinc/32/02/38/484320238.db2.gz OXVXRNRWFXDHQP-UHFFFAOYSA-N -1 0 367.402 -0.303 20 0 FBADRM COc1ccc(CCN2C(=O)C[C@@H](NCc3nnn[n-]3)C2=O)cc1OC ZINC000653285386 484322700 /nfs/dbraw/zinc/32/27/00/484322700.db2.gz NBYRUPMSLISNTI-LLVKDONJSA-N -1 0 360.374 -0.323 20 0 FBADRM COc1ccc(CCN2C(=O)C[C@H](NCc3nnn[n-]3)C2=O)cc1OC ZINC000653285387 484323224 /nfs/dbraw/zinc/32/32/24/484323224.db2.gz NBYRUPMSLISNTI-NSHDSACASA-N -1 0 360.374 -0.323 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(-n2cc[nH]c2=O)c1 ZINC000653289874 484343311 /nfs/dbraw/zinc/34/33/11/484343311.db2.gz AZQOUUIRQSMMNZ-GFCCVEGCSA-N -1 0 365.367 -0.098 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(-n2cc[nH]c2=O)c1 ZINC000653289875 484343547 /nfs/dbraw/zinc/34/35/47/484343547.db2.gz AZQOUUIRQSMMNZ-LBPRGKRZSA-N -1 0 365.367 -0.098 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(-n2cc[nH]c2=O)cc1 ZINC000653290143 484343527 /nfs/dbraw/zinc/34/35/27/484343527.db2.gz LDLGPJGTLQILRP-GFCCVEGCSA-N -1 0 365.367 -0.098 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(-n2cc[nH]c2=O)cc1 ZINC000653290144 484343109 /nfs/dbraw/zinc/34/31/09/484343109.db2.gz LDLGPJGTLQILRP-LBPRGKRZSA-N -1 0 365.367 -0.098 20 0 FBADRM Cc1nnnn1-c1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1 ZINC000653290162 484343512 /nfs/dbraw/zinc/34/35/12/484343512.db2.gz LSNCNLUFVURGAG-GFCCVEGCSA-N -1 0 365.371 -0.705 20 0 FBADRM Cc1nnnn1-c1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1 ZINC000653290163 484343443 /nfs/dbraw/zinc/34/34/43/484343443.db2.gz LSNCNLUFVURGAG-LBPRGKRZSA-N -1 0 365.371 -0.705 20 0 FBADRM Cn1cnc(=NC(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)[n-]1 ZINC000653291799 484366310 /nfs/dbraw/zinc/36/63/10/484366310.db2.gz YAWQGLXGIMPUBI-NSHDSACASA-N -1 0 350.404 -0.178 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)CC1 ZINC000653292749 484387826 /nfs/dbraw/zinc/38/78/26/484387826.db2.gz XTAYDMPOGCSLFQ-KRWDZBQOSA-N -1 0 351.403 -0.007 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)CC1 ZINC000653292750 484388428 /nfs/dbraw/zinc/38/84/28/484388428.db2.gz XTAYDMPOGCSLFQ-QGZVFWFLSA-N -1 0 351.403 -0.007 20 0 FBADRM Cn1cnc(=NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)[n-]1 ZINC000653292883 484391671 /nfs/dbraw/zinc/39/16/71/484391671.db2.gz GOUUHDSQRYYHAU-AWEZNQCLSA-N -1 0 358.402 -0.171 20 0 FBADRM Cn1cnc(=NC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)[n-]1 ZINC000653292884 484391258 /nfs/dbraw/zinc/39/12/58/484391258.db2.gz GOUUHDSQRYYHAU-CQSZACIVSA-N -1 0 358.402 -0.171 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@]2(C(=O)[O-])CC=CCC2)CC1 ZINC000653295241 484464474 /nfs/dbraw/zinc/46/44/74/484464474.db2.gz JVIGPANHLXDJLV-KRWDZBQOSA-N -1 0 351.403 -0.006 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)CC1 ZINC000653295242 484464630 /nfs/dbraw/zinc/46/46/30/484464630.db2.gz JVIGPANHLXDJLV-QGZVFWFLSA-N -1 0 351.403 -0.006 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000653297300 483435159 /nfs/dbraw/zinc/43/51/59/483435159.db2.gz NJCOGVSHSVSWDN-ABAIWWIYSA-N -1 0 358.416 -0.441 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000653297301 483435269 /nfs/dbraw/zinc/43/52/69/483435269.db2.gz NJCOGVSHSVSWDN-IAQYHMDHSA-N -1 0 358.416 -0.441 20 0 FBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000653297302 483434900 /nfs/dbraw/zinc/43/49/00/483434900.db2.gz NJCOGVSHSVSWDN-NHYWBVRUSA-N -1 0 358.416 -0.441 20 0 FBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000653297303 483435211 /nfs/dbraw/zinc/43/52/11/483435211.db2.gz NJCOGVSHSVSWDN-XHDPSFHLSA-N -1 0 358.416 -0.441 20 0 FBADRM O=C([O-])[C@@]1(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)CC=CCC1 ZINC000653297692 483436430 /nfs/dbraw/zinc/43/64/30/483436430.db2.gz ZKNRJHGAYTYMHG-ABAIWWIYSA-N -1 0 358.416 -0.393 20 0 FBADRM O=C([O-])[C@]1(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)CC=CCC1 ZINC000653297693 483436051 /nfs/dbraw/zinc/43/60/51/483436051.db2.gz ZKNRJHGAYTYMHG-IAQYHMDHSA-N -1 0 358.416 -0.393 20 0 FBADRM O=C([O-])[C@@]1(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)CC=CCC1 ZINC000653297694 483436210 /nfs/dbraw/zinc/43/62/10/483436210.db2.gz ZKNRJHGAYTYMHG-NHYWBVRUSA-N -1 0 358.416 -0.393 20 0 FBADRM O=C([O-])[C@]1(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)CC=CCC1 ZINC000653297695 483436475 /nfs/dbraw/zinc/43/64/75/483436475.db2.gz ZKNRJHGAYTYMHG-XHDPSFHLSA-N -1 0 358.416 -0.393 20 0 FBADRM CCC(CC)(C(=O)[O-])C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000653297784 483436095 /nfs/dbraw/zinc/43/60/95/483436095.db2.gz BFLMQJUHUREROF-UHFFFAOYSA-N -1 0 369.418 -0.593 20 0 FBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000653297923 483436693 /nfs/dbraw/zinc/43/66/93/483436693.db2.gz JBNUIDUBJUJWIR-GRYCIOLGSA-N -1 0 360.432 -0.361 20 0 FBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000653297924 483435978 /nfs/dbraw/zinc/43/59/78/483435978.db2.gz JBNUIDUBJUJWIR-WOPDTQHZSA-N -1 0 360.432 -0.361 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000653297974 483437877 /nfs/dbraw/zinc/43/78/77/483437877.db2.gz LYGZOAOYXXHUCX-QWHCGFSZSA-N -1 0 367.402 -0.983 20 0 FBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000653298017 483437506 /nfs/dbraw/zinc/43/75/06/483437506.db2.gz OQLFCGBKVUSFHI-BLLLJJGKSA-N -1 0 372.443 -0.051 20 0 FBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000653298018 483437703 /nfs/dbraw/zinc/43/77/03/483437703.db2.gz OQLFCGBKVUSFHI-LRDDRELGSA-N -1 0 372.443 -0.051 20 0 FBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000653298019 483437104 /nfs/dbraw/zinc/43/71/04/483437104.db2.gz OQLFCGBKVUSFHI-MLGOLLRUSA-N -1 0 372.443 -0.051 20 0 FBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000653298020 483437281 /nfs/dbraw/zinc/43/72/81/483437281.db2.gz OQLFCGBKVUSFHI-WBMJQRKESA-N -1 0 372.443 -0.051 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)CC1 ZINC000653300899 483447132 /nfs/dbraw/zinc/44/71/32/483447132.db2.gz GWUGRNOPKPLYPE-KRWDZBQOSA-N -1 0 353.419 -0.296 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)CC1 ZINC000653300900 483447446 /nfs/dbraw/zinc/44/74/46/483447446.db2.gz GWUGRNOPKPLYPE-QGZVFWFLSA-N -1 0 353.419 -0.296 20 0 FBADRM C[C@@H](NC(=O)[C@]1(C(=O)[O-])CC=CCC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000653301556 483447949 /nfs/dbraw/zinc/44/79/49/483447949.db2.gz ZNQIFNMWEQUTKF-ABAIWWIYSA-N -1 0 358.416 -0.441 20 0 FBADRM C[C@@H](NC(=O)[C@@]1(C(=O)[O-])CC=CCC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000653301557 483448471 /nfs/dbraw/zinc/44/84/71/483448471.db2.gz ZNQIFNMWEQUTKF-IAQYHMDHSA-N -1 0 358.416 -0.441 20 0 FBADRM C[C@H](NC(=O)[C@]1(C(=O)[O-])CC=CCC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000653301558 483448467 /nfs/dbraw/zinc/44/84/67/483448467.db2.gz ZNQIFNMWEQUTKF-NHYWBVRUSA-N -1 0 358.416 -0.441 20 0 FBADRM C[C@H](NC(=O)[C@@]1(C(=O)[O-])CC=CCC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000653301559 483448821 /nfs/dbraw/zinc/44/88/21/483448821.db2.gz ZNQIFNMWEQUTKF-XHDPSFHLSA-N -1 0 358.416 -0.441 20 0 FBADRM CCC(CC)(C(=O)[O-])C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000653302996 483449653 /nfs/dbraw/zinc/44/96/53/483449653.db2.gz BSXOVLPZDLKPBM-UHFFFAOYSA-N -1 0 355.435 -0.120 20 0 FBADRM O=C([O-])[C@]1(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC=CCC1 ZINC000653303305 483450366 /nfs/dbraw/zinc/45/03/66/483450366.db2.gz LKQYUWMTLHIQTA-GOSISDBHSA-N -1 0 365.430 -0.200 20 0 FBADRM O=C([O-])[C@@]1(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC=CCC1 ZINC000653303306 483450221 /nfs/dbraw/zinc/45/02/21/483450221.db2.gz LKQYUWMTLHIQTA-SFHVURJKSA-N -1 0 365.430 -0.200 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N=c2ccn(CC(=O)N3CCOCC3)[nH]2)C1 ZINC000653304089 483451322 /nfs/dbraw/zinc/45/13/22/483451322.db2.gz BXGSMPDCFZXGPY-NWDGAFQWSA-N -1 0 350.375 -0.397 20 0 FBADRM CCC(CC)(C(=O)[O-])C(=O)N=c1ccn(CC(=O)N2CCOCC2)[nH]1 ZINC000653304717 483452339 /nfs/dbraw/zinc/45/23/39/483452339.db2.gz VILPXFMJMNNTBL-UHFFFAOYSA-N -1 0 352.391 -0.007 20 0 FBADRM O=C([O-])[C@@]1(C(=O)N=c2ccn(CC(=O)N3CCOCC3)[nH]2)CC=CCC1 ZINC000653304747 483452591 /nfs/dbraw/zinc/45/25/91/483452591.db2.gz VZHPRDRVWWERRC-KRWDZBQOSA-N -1 0 362.386 -0.087 20 0 FBADRM O=C([O-])[C@]1(C(=O)N=c2ccn(CC(=O)N3CCOCC3)[nH]2)CC=CCC1 ZINC000653304748 483452611 /nfs/dbraw/zinc/45/26/11/483452611.db2.gz VZHPRDRVWWERRC-QGZVFWFLSA-N -1 0 362.386 -0.087 20 0 FBADRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000653306091 483456627 /nfs/dbraw/zinc/45/66/27/483456627.db2.gz BSJNTIPMJKCGBI-CYBMUJFWSA-N -1 0 355.435 -0.073 20 0 FBADRM CCC(CC)(C(=O)[O-])C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000653306092 483457117 /nfs/dbraw/zinc/45/71/17/483457117.db2.gz BSJNTIPMJKCGBI-ZDUSSCGKSA-N -1 0 355.435 -0.073 20 0 FBADRM O=C([O-])[C@]1(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC=CCC1 ZINC000653306736 483458653 /nfs/dbraw/zinc/45/86/53/483458653.db2.gz VSLUPLKYQOTDAF-KBXCAEBGSA-N -1 0 365.430 -0.153 20 0 FBADRM O=C([O-])[C@@]1(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC=CCC1 ZINC000653306737 483457871 /nfs/dbraw/zinc/45/78/71/483457871.db2.gz VSLUPLKYQOTDAF-KDOFPFPSSA-N -1 0 365.430 -0.153 20 0 FBADRM O=C([O-])[C@@]1(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC=CCC1 ZINC000653306738 483458340 /nfs/dbraw/zinc/45/83/40/483458340.db2.gz VSLUPLKYQOTDAF-KSSFIOAISA-N -1 0 365.430 -0.153 20 0 FBADRM O=C([O-])[C@]1(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC=CCC1 ZINC000653306739 483457722 /nfs/dbraw/zinc/45/77/22/483457722.db2.gz VSLUPLKYQOTDAF-RDTXWAMCSA-N -1 0 365.430 -0.153 20 0 FBADRM O=C([O-])[C@]1(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC=CCC1 ZINC000653307667 483460670 /nfs/dbraw/zinc/46/06/70/483460670.db2.gz SSWHEXIQTDAYRY-GOSISDBHSA-N -1 0 365.430 -0.200 20 0 FBADRM O=C([O-])[C@@]1(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC=CCC1 ZINC000653307668 483460785 /nfs/dbraw/zinc/46/07/85/483460785.db2.gz SSWHEXIQTDAYRY-SFHVURJKSA-N -1 0 365.430 -0.200 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)CNC(=O)c3ccccn3)CC2)C1 ZINC000653311317 483472442 /nfs/dbraw/zinc/47/24/42/483472442.db2.gz QIUSVKBREXONQE-GFCCVEGCSA-N -1 0 374.397 -0.265 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)CNC(=O)c3ccccn3)CC2)C1 ZINC000653311318 483472197 /nfs/dbraw/zinc/47/21/97/483472197.db2.gz QIUSVKBREXONQE-LBPRGKRZSA-N -1 0 374.397 -0.265 20 0 FBADRM CNc1nc(C)cc(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)n1 ZINC000653311426 483472561 /nfs/dbraw/zinc/47/25/61/483472561.db2.gz SKHAZQRYXYMCPG-LLVKDONJSA-N -1 0 361.402 -0.214 20 0 FBADRM CNc1nc(C)cc(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)n1 ZINC000653311427 483471986 /nfs/dbraw/zinc/47/19/86/483471986.db2.gz SKHAZQRYXYMCPG-NSHDSACASA-N -1 0 361.402 -0.214 20 0 FBADRM CC(C)CS(=O)(=O)CC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000653311855 483472438 /nfs/dbraw/zinc/47/24/38/483472438.db2.gz AFTROEQMKGCEBH-GFCCVEGCSA-N -1 0 374.459 -0.019 20 0 FBADRM CC(C)CS(=O)(=O)CC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000653311856 483472218 /nfs/dbraw/zinc/47/22/18/483472218.db2.gz AFTROEQMKGCEBH-LBPRGKRZSA-N -1 0 374.459 -0.019 20 0 FBADRM CN(CC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1)C(=O)C1CC1 ZINC000653311979 483472101 /nfs/dbraw/zinc/47/21/01/483472101.db2.gz CNQKJSHGVSRDIK-GFCCVEGCSA-N -1 0 351.403 -0.221 20 0 FBADRM CN(CC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1)C(=O)C1CC1 ZINC000653311980 483471871 /nfs/dbraw/zinc/47/18/71/483471871.db2.gz CNQKJSHGVSRDIK-LBPRGKRZSA-N -1 0 351.403 -0.221 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)CN3CCCCC3=O)CC2)C1 ZINC000653312254 483471914 /nfs/dbraw/zinc/47/19/14/483471914.db2.gz ITHKUQODCNZYST-GFCCVEGCSA-N -1 0 351.403 -0.077 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)CN3CCCCC3=O)CC2)C1 ZINC000653312255 483472465 /nfs/dbraw/zinc/47/24/65/483472465.db2.gz ITHKUQODCNZYST-LBPRGKRZSA-N -1 0 351.403 -0.077 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)C1 ZINC000653312634 483472140 /nfs/dbraw/zinc/47/21/40/483472140.db2.gz QTKXJNLWYXBNQQ-NEPJUHHUSA-N -1 0 363.414 -0.079 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)CC2)C1 ZINC000653312635 483472367 /nfs/dbraw/zinc/47/23/67/483472367.db2.gz QTKXJNLWYXBNQQ-NWDGAFQWSA-N -1 0 363.414 -0.079 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)CC2)C1 ZINC000653312636 483472504 /nfs/dbraw/zinc/47/25/04/483472504.db2.gz QTKXJNLWYXBNQQ-RYUDHWBXSA-N -1 0 363.414 -0.079 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)C1 ZINC000653312637 483472307 /nfs/dbraw/zinc/47/23/07/483472307.db2.gz QTKXJNLWYXBNQQ-VXGBXAGGSA-N -1 0 363.414 -0.079 20 0 FBADRM CCN1C[C@H](C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)CC1=O ZINC000653313042 483473558 /nfs/dbraw/zinc/47/35/58/483473558.db2.gz ZFJOBUUYYXUBBD-NEPJUHHUSA-N -1 0 351.403 -0.221 20 0 FBADRM CCN1C[C@@H](C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)CC1=O ZINC000653313043 483473581 /nfs/dbraw/zinc/47/35/81/483473581.db2.gz ZFJOBUUYYXUBBD-NWDGAFQWSA-N -1 0 351.403 -0.221 20 0 FBADRM CCN1C[C@@H](C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)CC1=O ZINC000653313044 483473218 /nfs/dbraw/zinc/47/32/18/483473218.db2.gz ZFJOBUUYYXUBBD-RYUDHWBXSA-N -1 0 351.403 -0.221 20 0 FBADRM CCN1C[C@H](C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)CC1=O ZINC000653313045 483473774 /nfs/dbraw/zinc/47/37/74/483473774.db2.gz ZFJOBUUYYXUBBD-VXGBXAGGSA-N -1 0 351.403 -0.221 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)CN3CSCC3=O)CC2)C1 ZINC000653314076 483476304 /nfs/dbraw/zinc/47/63/04/483476304.db2.gz PODLFHBZPXMJKA-JTQLQIEISA-N -1 0 355.416 -0.557 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)CN3CSCC3=O)CC2)C1 ZINC000653314077 483476343 /nfs/dbraw/zinc/47/63/43/483476343.db2.gz PODLFHBZPXMJKA-SNVBAGLBSA-N -1 0 355.416 -0.557 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000653315736 483475832 /nfs/dbraw/zinc/47/58/32/483475832.db2.gz QIGWEKVMSLIDET-NXEZZACHSA-N -1 0 363.374 -0.712 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])cn1C ZINC000653316269 483477849 /nfs/dbraw/zinc/47/78/49/483477849.db2.gz FBVOTOMRFXEDPB-MWLCHTKSSA-N -1 0 358.420 -0.139 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000653316353 483477165 /nfs/dbraw/zinc/47/71/65/483477165.db2.gz IIFQLEBOCLTHBD-DDHJBXDOSA-N -1 0 358.416 -0.514 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000653316354 483477471 /nfs/dbraw/zinc/47/74/71/483477471.db2.gz IIFQLEBOCLTHBD-NOOOWODRSA-N -1 0 358.416 -0.514 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000653316355 483478114 /nfs/dbraw/zinc/47/81/14/483478114.db2.gz IIFQLEBOCLTHBD-WISYIIOYSA-N -1 0 358.416 -0.514 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000653316356 483477464 /nfs/dbraw/zinc/47/74/64/483477464.db2.gz IIFQLEBOCLTHBD-WRWGMCAJSA-N -1 0 358.416 -0.514 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000653317462 483478022 /nfs/dbraw/zinc/47/80/22/483478022.db2.gz XAFJUYAMSGCSAM-HTQZYQBOSA-N -1 0 359.360 -0.879 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000653318024 483477275 /nfs/dbraw/zinc/47/72/75/483477275.db2.gz SGEXDNZNHWNGSJ-HZSPNIEDSA-N -1 0 353.419 -0.369 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000653318025 483477449 /nfs/dbraw/zinc/47/74/49/483477449.db2.gz SGEXDNZNHWNGSJ-MGPQQGTHSA-N -1 0 353.419 -0.369 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)N1CCCC[C@H]1CC(=O)[O-])c(=O)n2C ZINC000653320172 483482926 /nfs/dbraw/zinc/48/29/26/483482926.db2.gz GSLRKYUUWFWQPS-JTQLQIEISA-N -1 0 363.374 -0.711 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)N1CCCC[C@@H]1CC(=O)[O-])c(=O)n2C ZINC000653320173 483482057 /nfs/dbraw/zinc/48/20/57/483482057.db2.gz GSLRKYUUWFWQPS-SNVBAGLBSA-N -1 0 363.374 -0.711 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])o1 ZINC000653320408 483486757 /nfs/dbraw/zinc/48/67/57/483486757.db2.gz MGFHCZFCCSXYPK-SECBINFHSA-N -1 0 373.387 -0.487 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CC(=O)[O-])o1 ZINC000653320409 483486262 /nfs/dbraw/zinc/48/62/62/483486262.db2.gz MGFHCZFCCSXYPK-VIFPVBQESA-N -1 0 373.387 -0.487 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCCC[C@@H]2CC(=O)[O-])cn1C ZINC000653320478 483488074 /nfs/dbraw/zinc/48/80/74/483488074.db2.gz NVEYWAIEOJIYOF-LLVKDONJSA-N -1 0 358.420 -0.137 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCCC[C@H]2CC(=O)[O-])cn1C ZINC000653320479 483487215 /nfs/dbraw/zinc/48/72/15/483487215.db2.gz NVEYWAIEOJIYOF-NSHDSACASA-N -1 0 358.420 -0.137 20 0 FBADRM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000653320572 483488971 /nfs/dbraw/zinc/48/89/71/483488971.db2.gz QEUAZBFBXUTONF-AGIUHOORSA-N -1 0 372.443 -0.122 20 0 FBADRM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000653320573 483489063 /nfs/dbraw/zinc/48/90/63/483489063.db2.gz QEUAZBFBXUTONF-AVGNSLFASA-N -1 0 372.443 -0.122 20 0 FBADRM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000653320574 483489386 /nfs/dbraw/zinc/48/93/86/483489386.db2.gz QEUAZBFBXUTONF-FRRDWIJNSA-N -1 0 372.443 -0.122 20 0 FBADRM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000653320575 483488859 /nfs/dbraw/zinc/48/88/59/483488859.db2.gz QEUAZBFBXUTONF-RWMBFGLXSA-N -1 0 372.443 -0.122 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CCCC[C@@H]2CC(=O)[O-])c[nH]1 ZINC000653320770 483492344 /nfs/dbraw/zinc/49/23/44/483492344.db2.gz VSTFHFGTSBKATA-SECBINFHSA-N -1 0 372.403 -0.752 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CCCC[C@H]2CC(=O)[O-])c[nH]1 ZINC000653320771 483491430 /nfs/dbraw/zinc/49/14/30/483491430.db2.gz VSTFHFGTSBKATA-VIFPVBQESA-N -1 0 372.403 -0.752 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000653320824 483492854 /nfs/dbraw/zinc/49/28/54/483492854.db2.gz WZJNAZXZFOSROV-GHMZBOCLSA-N -1 0 358.420 -0.057 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000653320825 483492788 /nfs/dbraw/zinc/49/27/88/483492788.db2.gz WZJNAZXZFOSROV-MNOVXSKESA-N -1 0 358.420 -0.057 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000653320826 483491420 /nfs/dbraw/zinc/49/14/20/483491420.db2.gz WZJNAZXZFOSROV-QWRGUYRKSA-N -1 0 358.420 -0.057 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000653320827 483492452 /nfs/dbraw/zinc/49/24/52/483492452.db2.gz WZJNAZXZFOSROV-WDEREUQCSA-N -1 0 358.420 -0.057 20 0 FBADRM Cn1c2ncn(CC(=O)N3CCCC[C@H]3CC(=O)[O-])c2c(=O)n(C)c1=O ZINC000653321519 483500417 /nfs/dbraw/zinc/50/04/17/483500417.db2.gz SHARKZWTGVHMHP-JTQLQIEISA-N -1 0 363.374 -0.711 20 0 FBADRM Cn1c2ncn(CC(=O)N3CCCC[C@@H]3CC(=O)[O-])c2c(=O)n(C)c1=O ZINC000653321520 483500593 /nfs/dbraw/zinc/50/05/93/483500593.db2.gz SHARKZWTGVHMHP-SNVBAGLBSA-N -1 0 363.374 -0.711 20 0 FBADRM O=C([O-])CC1(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCC1 ZINC000653321963 483507737 /nfs/dbraw/zinc/50/77/37/483507737.db2.gz FYAGCEYGNAZOFB-GHMZBOCLSA-N -1 0 358.416 -0.464 20 0 FBADRM O=C([O-])CC1(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCC1 ZINC000653321964 483507824 /nfs/dbraw/zinc/50/78/24/483507824.db2.gz FYAGCEYGNAZOFB-MNOVXSKESA-N -1 0 358.416 -0.464 20 0 FBADRM O=C([O-])CC1(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCC1 ZINC000653321965 483507071 /nfs/dbraw/zinc/50/70/71/483507071.db2.gz FYAGCEYGNAZOFB-QWRGUYRKSA-N -1 0 358.416 -0.464 20 0 FBADRM O=C([O-])CC1(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCC1 ZINC000653321966 483507054 /nfs/dbraw/zinc/50/70/54/483507054.db2.gz FYAGCEYGNAZOFB-WDEREUQCSA-N -1 0 358.416 -0.464 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NC2(CC(=O)[O-])CCC2)cn1C ZINC000653322062 483507188 /nfs/dbraw/zinc/50/71/88/483507188.db2.gz IZOGGWCVGNKBRT-UHFFFAOYSA-N -1 0 358.420 -0.089 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)NC2(CC(=O)[O-])CCC2)o1 ZINC000653322126 483509031 /nfs/dbraw/zinc/50/90/31/483509031.db2.gz LZVWXHNVJXGMMO-UHFFFAOYSA-N -1 0 359.360 -0.830 20 0 FBADRM Cn1c2ncn(CCC(=O)NC3(CC(=O)[O-])CCC3)c2c(=O)n(C)c1=O ZINC000653322231 483511828 /nfs/dbraw/zinc/51/18/28/483511828.db2.gz MGGHEBYDIJZNIZ-UHFFFAOYSA-N -1 0 363.374 -0.663 20 0 FBADRM CCN1CCN(CC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)C(=O)C1=O ZINC000653323147 483541651 /nfs/dbraw/zinc/54/16/51/483541651.db2.gz MRBHMWVHQFVPKM-GOSISDBHSA-N -1 0 361.398 -0.164 20 0 FBADRM CCN1CCN(CC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)C(=O)C1=O ZINC000653323148 483542280 /nfs/dbraw/zinc/54/22/80/483542280.db2.gz MRBHMWVHQFVPKM-SFHVURJKSA-N -1 0 361.398 -0.164 20 0 FBADRM Cc1c(C(=O)N(CC(=O)[O-])CC2CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000653324027 483578566 /nfs/dbraw/zinc/57/85/66/483578566.db2.gz FEFMCCDTUJMERR-UHFFFAOYSA-N -1 0 360.370 -0.123 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N(CC(=O)[O-])CC2CC2)cc1 ZINC000653325033 483660356 /nfs/dbraw/zinc/66/03/56/483660356.db2.gz IMQZOEUAUNXQEU-UHFFFAOYSA-N -1 0 354.384 -0.118 20 0 FBADRM Cc1cc(C(=O)N(CC(=O)[O-])CC2CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000653325056 483661975 /nfs/dbraw/zinc/66/19/75/483661975.db2.gz JTOXCDPLEBPLOU-UHFFFAOYSA-N -1 0 360.370 -0.123 20 0 FBADRM O=C([O-])CN(CC1CC1)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000653325265 483675075 /nfs/dbraw/zinc/67/50/75/483675075.db2.gz SPTUPNFGHKBRMG-AWEZNQCLSA-N -1 0 353.419 -0.510 20 0 FBADRM O=C([O-])CN(CC1CC1)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000653325266 483674793 /nfs/dbraw/zinc/67/47/93/483674793.db2.gz SPTUPNFGHKBRMG-CQSZACIVSA-N -1 0 353.419 -0.510 20 0 FBADRM Cn1c2ncn(CCC(=O)N(CC(=O)[O-])CC3CC3)c2c(=O)n(C)c1=O ZINC000653325621 483683068 /nfs/dbraw/zinc/68/30/68/483683068.db2.gz FHAFKLXUKVETOC-UHFFFAOYSA-N -1 0 363.374 -0.853 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N(CC(=O)[O-])CC2CC2)cn1C ZINC000653325771 483683375 /nfs/dbraw/zinc/68/33/75/483683375.db2.gz LPHNFXNEPZWZJE-UHFFFAOYSA-N -1 0 358.420 -0.280 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N(CC(=O)[O-])CC2CC2)c1 ZINC000653326060 483685514 /nfs/dbraw/zinc/68/55/14/483685514.db2.gz QZCVJEBHKGJMBA-UHFFFAOYSA-N -1 0 359.404 -0.124 20 0 FBADRM O=C([O-])CN(CC1CC1)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000653326099 483686234 /nfs/dbraw/zinc/68/62/34/483686234.db2.gz STUIESJWDMBJCI-NEPJUHHUSA-N -1 0 358.416 -0.655 20 0 FBADRM O=C([O-])CN(CC1CC1)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000653326100 483685999 /nfs/dbraw/zinc/68/59/99/483685999.db2.gz STUIESJWDMBJCI-NWDGAFQWSA-N -1 0 358.416 -0.655 20 0 FBADRM O=C([O-])CN(CC1CC1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000653326101 483686277 /nfs/dbraw/zinc/68/62/77/483686277.db2.gz STUIESJWDMBJCI-RYUDHWBXSA-N -1 0 358.416 -0.655 20 0 FBADRM O=C([O-])CN(CC1CC1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000653326102 483686050 /nfs/dbraw/zinc/68/60/50/483686050.db2.gz STUIESJWDMBJCI-VXGBXAGGSA-N -1 0 358.416 -0.655 20 0 FBADRM CC[C@H](C(=O)[O-])N(C)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000653339503 483906158 /nfs/dbraw/zinc/90/61/58/483906158.db2.gz JLFSFTQKWRNGPQ-SECBINFHSA-N -1 0 351.363 -0.855 20 0 FBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000653339504 483906005 /nfs/dbraw/zinc/90/60/05/483906005.db2.gz JLFSFTQKWRNGPQ-VIFPVBQESA-N -1 0 351.363 -0.855 20 0 FBADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000653339841 483909748 /nfs/dbraw/zinc/90/97/48/483909748.db2.gz WTTUKPAPGBKFOT-GFCCVEGCSA-N -1 0 373.431 -0.019 20 0 FBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000653339842 483909383 /nfs/dbraw/zinc/90/93/83/483909383.db2.gz WTTUKPAPGBKFOT-LBPRGKRZSA-N -1 0 373.431 -0.019 20 0 FBADRM CC[C@H](C(=O)[O-])N(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000653345629 484161603 /nfs/dbraw/zinc/16/16/03/484161603.db2.gz XCRCOZXYJHLADR-BXKDBHETSA-N -1 0 371.415 -0.226 20 0 FBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000653345630 484162910 /nfs/dbraw/zinc/16/29/10/484162910.db2.gz XCRCOZXYJHLADR-CABZTGNLSA-N -1 0 371.415 -0.226 20 0 FBADRM CC[C@H](C(=O)[O-])N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000653345631 484162675 /nfs/dbraw/zinc/16/26/75/484162675.db2.gz XCRCOZXYJHLADR-JOYOIKCWSA-N -1 0 371.415 -0.226 20 0 FBADRM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000653345632 484162831 /nfs/dbraw/zinc/16/28/31/484162831.db2.gz XCRCOZXYJHLADR-SKDRFNHKSA-N -1 0 371.415 -0.226 20 0 FBADRM Cn1cnnc1N1CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC000653485237 484465950 /nfs/dbraw/zinc/46/59/50/484465950.db2.gz BJVKXLSDEPJOHA-UHFFFAOYSA-N -1 0 365.415 -0.047 20 0 FBADRM Cn1cnnc1N1CCN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC000653485249 484466980 /nfs/dbraw/zinc/46/69/80/484466980.db2.gz CJEYHOSDDZCGHC-UHFFFAOYSA-N -1 0 365.415 -0.047 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(c2nncn2C)CC1 ZINC000653485253 484466842 /nfs/dbraw/zinc/46/68/42/484466842.db2.gz CKBSDBPCTDRMRQ-UHFFFAOYSA-N -1 0 355.376 -0.074 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@@]2(C(N)=O)CCOC2)c(C)c1OCC(=O)[O-] ZINC000653486808 662069462 /nfs/dbraw/zinc/06/94/62/662069462.db2.gz UILVWRJUSHYHBT-HNNXBMFYSA-N -1 0 372.399 -0.310 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@]2(C(N)=O)CCOC2)c(C)c1OCC(=O)[O-] ZINC000653486809 659903822 /nfs/dbraw/zinc/90/38/22/659903822.db2.gz UILVWRJUSHYHBT-OAHLLOKOSA-N -1 0 372.399 -0.310 20 0 FBADRM COCCN=c1[n-]nc(S(=O)(=O)Cc2nnn(C(C)(C)C)n2)s1 ZINC000653486874 484469466 /nfs/dbraw/zinc/46/94/66/484469466.db2.gz YOSHPEFMVNAYMU-UHFFFAOYSA-N -1 0 361.453 -0.266 20 0 FBADRM COc1cccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c1F ZINC000653491763 484486404 /nfs/dbraw/zinc/48/64/04/484486404.db2.gz IEUNUKOKHAEPGK-SSDOTTSWSA-N -1 0 372.334 -0.211 20 0 FBADRM COc1cccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c1F ZINC000653491764 484486167 /nfs/dbraw/zinc/48/61/67/484486167.db2.gz IEUNUKOKHAEPGK-ZETCQYMHSA-N -1 0 372.334 -0.211 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653493680 484491901 /nfs/dbraw/zinc/49/19/01/484491901.db2.gz BKKNEWHPPPBXHW-GARJFASQSA-N -1 0 370.493 -0.020 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653493681 484492162 /nfs/dbraw/zinc/49/21/62/484492162.db2.gz BKKNEWHPPPBXHW-OUAUKWLOSA-N -1 0 370.493 -0.020 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653495094 484497383 /nfs/dbraw/zinc/49/73/83/484497383.db2.gz UKTLQGSJSBPYCO-KXUCPTDWSA-N -1 0 373.431 -0.502 20 0 FBADRM C[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653495095 484497037 /nfs/dbraw/zinc/49/70/37/484497037.db2.gz UKTLQGSJSBPYCO-LPEHRKFASA-N -1 0 373.431 -0.502 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N(CC(=O)[O-])C2CCC2)CC1 ZINC000653495238 484497371 /nfs/dbraw/zinc/49/73/71/484497371.db2.gz BCNJQTJBWXDXSH-UHFFFAOYSA-N -1 0 368.477 -0.073 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N(CC(=O)[O-])C3CCC3)cnc21 ZINC000653495582 484497070 /nfs/dbraw/zinc/49/70/70/484497070.db2.gz VBWAZCGLFAOZGM-UHFFFAOYSA-N -1 0 368.371 -0.338 20 0 FBADRM O=C([O-])CN(C1CCC1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000653496017 484498094 /nfs/dbraw/zinc/49/80/94/484498094.db2.gz BGCYEXXSARGQBV-UHFFFAOYSA-N -1 0 353.356 -0.156 20 0 FBADRM COCCn1cc(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cn1 ZINC000653497005 484502493 /nfs/dbraw/zinc/50/24/93/484502493.db2.gz MSEKZKMVVFLIII-CYBMUJFWSA-N -1 0 354.388 -0.101 20 0 FBADRM COCCn1cc(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cn1 ZINC000653497006 484502252 /nfs/dbraw/zinc/50/22/52/484502252.db2.gz MSEKZKMVVFLIII-ZDUSSCGKSA-N -1 0 354.388 -0.101 20 0 FBADRM Cn1cnnc1N1CCN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])CC1 ZINC000653501774 484530785 /nfs/dbraw/zinc/53/07/85/484530785.db2.gz IDJVBRUHPVJSEJ-UHFFFAOYSA-N -1 0 366.403 -0.513 20 0 FBADRM Cc1nn(CC(=O)N=c2cc(C)n3[n-]c(C(F)(F)F)nc3n2)c(=O)n1C ZINC000653530022 484539897 /nfs/dbraw/zinc/53/98/97/484539897.db2.gz MUROIHNGORSHPS-UHFFFAOYSA-N -1 0 370.295 -0.284 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000653537192 484541950 /nfs/dbraw/zinc/54/19/50/484541950.db2.gz LIUFAQYHPLXWCP-UHFFFAOYSA-N -1 0 365.346 -0.636 20 0 FBADRM CC(C)[C@@H](CNC(=O)N=c1ccn(CC(=O)N2CCOCC2)[nH]1)C(=O)[O-] ZINC000653538893 484541482 /nfs/dbraw/zinc/54/14/82/484541482.db2.gz MKSIPZKAJCOOMK-GFCCVEGCSA-N -1 0 367.406 -0.358 20 0 FBADRM CC(C)[C@H](CNC(=O)N=c1ccn(CC(=O)N2CCOCC2)[nH]1)C(=O)[O-] ZINC000653538894 484541168 /nfs/dbraw/zinc/54/11/68/484541168.db2.gz MKSIPZKAJCOOMK-LBPRGKRZSA-N -1 0 367.406 -0.358 20 0 FBADRM C[C@@H](CNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)[O-] ZINC000653543787 484544693 /nfs/dbraw/zinc/54/46/93/484544693.db2.gz ZNSOJIDTBPFCEW-JTQLQIEISA-N -1 0 372.403 -0.055 20 0 FBADRM C[C@H](CNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)[O-] ZINC000653543788 484545466 /nfs/dbraw/zinc/54/54/66/484545466.db2.gz ZNSOJIDTBPFCEW-SNVBAGLBSA-N -1 0 372.403 -0.055 20 0 FBADRM O=C(CCC(=O)N1CCOC[C@@H]1C(=O)[O-])Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000653558129 484549095 /nfs/dbraw/zinc/54/90/95/484549095.db2.gz ORUJTCBLLNDCIB-SECBINFHSA-N -1 0 363.330 -0.884 20 0 FBADRM O=C(CCC(=O)N1CCOC[C@H]1C(=O)[O-])Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000653558134 484548553 /nfs/dbraw/zinc/54/85/53/484548553.db2.gz ORUJTCBLLNDCIB-VIFPVBQESA-N -1 0 363.330 -0.884 20 0 FBADRM Cn1nnnc1CCNC(=O)N=c1nc2cc(Br)ccn2[n-]1 ZINC000653594099 484563117 /nfs/dbraw/zinc/56/31/17/484563117.db2.gz UDFSIURMGZCGBE-UHFFFAOYSA-N -1 0 366.183 -0.199 20 0 FBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000653757274 484427444 /nfs/dbraw/zinc/42/74/44/484427444.db2.gz KTROJGLIQWTHSU-MRVPVSSYSA-N -1 0 369.403 -0.198 20 0 FBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000653757275 484427683 /nfs/dbraw/zinc/42/76/83/484427683.db2.gz KTROJGLIQWTHSU-QMMMGPOBSA-N -1 0 369.403 -0.198 20 0 FBADRM Cn1cnnc1N1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CC1 ZINC000653820811 484232662 /nfs/dbraw/zinc/23/26/62/484232662.db2.gz PPXXMWDFMDVTEW-UHFFFAOYSA-N -1 0 361.431 -0.041 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000653864225 484292812 /nfs/dbraw/zinc/29/28/12/484292812.db2.gz RIIZXFMDUFLJRI-BETUJISGSA-N -1 0 354.432 -0.417 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)Nc2n[nH]nc2C(=O)NC2CC2)CC1 ZINC000653874676 484300006 /nfs/dbraw/zinc/30/00/06/484300006.db2.gz JJRQOHNNQAJVTJ-UHFFFAOYSA-N -1 0 370.435 -0.303 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CC(C)(C)OC[C@@H]2C(=O)[O-])cn1C ZINC000654786485 484410019 /nfs/dbraw/zinc/41/00/19/484410019.db2.gz VSSITCIJYMHEIO-LLVKDONJSA-N -1 0 359.404 -0.363 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CC(C)(C)OC[C@H]2C(=O)[O-])cn1C ZINC000654786486 484409942 /nfs/dbraw/zinc/40/99/42/484409942.db2.gz VSSITCIJYMHEIO-NSHDSACASA-N -1 0 359.404 -0.363 20 0 FBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000654800279 484423798 /nfs/dbraw/zinc/42/37/98/484423798.db2.gz NKQCNLWKBHRYAH-NEPJUHHUSA-N -1 0 365.452 -0.070 20 0 FBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000654800280 484423848 /nfs/dbraw/zinc/42/38/48/484423848.db2.gz NKQCNLWKBHRYAH-NWDGAFQWSA-N -1 0 365.452 -0.070 20 0 FBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000654800281 484424021 /nfs/dbraw/zinc/42/40/21/484424021.db2.gz NKQCNLWKBHRYAH-RYUDHWBXSA-N -1 0 365.452 -0.070 20 0 FBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000654800282 484423417 /nfs/dbraw/zinc/42/34/17/484423417.db2.gz NKQCNLWKBHRYAH-VXGBXAGGSA-N -1 0 365.452 -0.070 20 0 FBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000654802239 484425431 /nfs/dbraw/zinc/42/54/31/484425431.db2.gz DVBWCOJVLSFTFE-JTQLQIEISA-N -1 0 353.441 -0.166 20 0 FBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000654802240 484425115 /nfs/dbraw/zinc/42/51/15/484425115.db2.gz DVBWCOJVLSFTFE-SNVBAGLBSA-N -1 0 353.441 -0.166 20 0 FBADRM O=C(NCCc1nnc[nH]1)c1cccc(C(=O)NCCc2nnc[nH]2)c1[O-] ZINC000655115895 484485976 /nfs/dbraw/zinc/48/59/76/484485976.db2.gz GGVVLKSVOFWJHT-UHFFFAOYSA-N -1 0 370.373 -0.427 20 0 FBADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)n2)c1 ZINC000655120659 484485679 /nfs/dbraw/zinc/48/56/79/484485679.db2.gz WJBHJGKFCIBQOQ-ZWNOBZJWSA-N -1 0 369.374 -0.087 20 0 FBADRM CO[C@@](C)(CO)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000655206109 484498248 /nfs/dbraw/zinc/49/82/48/484498248.db2.gz LBUPUPQCEKQQSG-CYBMUJFWSA-N -1 0 352.359 -0.243 20 0 FBADRM CO[C@](C)(CO)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000655206110 484498781 /nfs/dbraw/zinc/49/87/81/484498781.db2.gz LBUPUPQCEKQQSG-ZDUSSCGKSA-N -1 0 352.359 -0.243 20 0 FBADRM COc1ccc(-n2cc([O-])c(C(=O)N3CCN(CC(N)=O)C(=O)C3)n2)cc1 ZINC000655228780 483461343 /nfs/dbraw/zinc/46/13/43/483461343.db2.gz QDIPESRBJLLYSB-UHFFFAOYSA-N -1 0 373.369 -0.644 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)Nc2n[nH]c(SCCO)n2)CC1 ZINC000655392819 483855176 /nfs/dbraw/zinc/85/51/76/483855176.db2.gz ZKELJEYSBVIWSM-UHFFFAOYSA-N -1 0 363.465 -0.111 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)Cn2nc(C)n(C)c2=O)ccc1[O-] ZINC000655393998 483855339 /nfs/dbraw/zinc/85/53/39/483855339.db2.gz QYVSYVADICNMPK-UHFFFAOYSA-N -1 0 355.376 -0.857 20 0 FBADRM CO[C@@H]1COC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000655489738 483440480 /nfs/dbraw/zinc/44/04/80/483440480.db2.gz XFDHSMMDEKYSRE-WDEREUQCSA-N -1 0 350.343 -0.227 20 0 FBADRM O=C([O-])CCCCC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000655551345 483870528 /nfs/dbraw/zinc/87/05/28/483870528.db2.gz QOPZLTHCPYVXAZ-UHFFFAOYSA-N -1 0 355.391 -0.839 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000655557657 483878437 /nfs/dbraw/zinc/87/84/37/483878437.db2.gz ATSPOTYKXYJKMJ-SECBINFHSA-N -1 0 357.388 -0.240 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000655557658 483878518 /nfs/dbraw/zinc/87/85/18/483878518.db2.gz ATSPOTYKXYJKMJ-VIFPVBQESA-N -1 0 357.388 -0.240 20 0 FBADRM C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000655557954 483878360 /nfs/dbraw/zinc/87/83/60/483878360.db2.gz DHAIZVCXEURCLD-BDAKNGLRSA-N -1 0 357.388 -0.711 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655557955 483878974 /nfs/dbraw/zinc/87/89/74/483878974.db2.gz DHAIZVCXEURCLD-DTWKUNHWSA-N -1 0 357.388 -0.711 20 0 FBADRM C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000655557956 483878888 /nfs/dbraw/zinc/87/88/88/483878888.db2.gz DHAIZVCXEURCLD-IUCAKERBSA-N -1 0 357.388 -0.711 20 0 FBADRM C[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000655557957 483879090 /nfs/dbraw/zinc/87/90/90/483879090.db2.gz DHAIZVCXEURCLD-RKDXNWHRSA-N -1 0 357.388 -0.711 20 0 FBADRM C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000655559669 483881111 /nfs/dbraw/zinc/88/11/11/483881111.db2.gz PPTCPWTYHMPDKV-JTQLQIEISA-N -1 0 372.399 -0.037 20 0 FBADRM C[C@H](CNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000655559677 483881226 /nfs/dbraw/zinc/88/12/26/483881226.db2.gz PPTCPWTYHMPDKV-SNVBAGLBSA-N -1 0 372.399 -0.037 20 0 FBADRM COc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](C)C(=O)[O-])cc1OC ZINC000655560463 483881943 /nfs/dbraw/zinc/88/19/43/483881943.db2.gz VXPOQVBDNJZSCO-SECBINFHSA-N -1 0 360.388 -0.181 20 0 FBADRM COc1ccc(S(=O)(=O)NCC(=O)NC[C@H](C)C(=O)[O-])cc1OC ZINC000655560464 483881620 /nfs/dbraw/zinc/88/16/20/483881620.db2.gz VXPOQVBDNJZSCO-VIFPVBQESA-N -1 0 360.388 -0.181 20 0 FBADRM C[C@@H](CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000655560636 483881673 /nfs/dbraw/zinc/88/16/73/483881673.db2.gz SWRZINILXCGTJG-JTQLQIEISA-N -1 0 371.415 -0.496 20 0 FBADRM C[C@H](CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000655560637 483881611 /nfs/dbraw/zinc/88/16/11/483881611.db2.gz SWRZINILXCGTJG-SNVBAGLBSA-N -1 0 371.415 -0.496 20 0 FBADRM C[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)[O-] ZINC000655561439 483882758 /nfs/dbraw/zinc/88/27/58/483882758.db2.gz LUYGBYUFPVYOEN-JTQLQIEISA-N -1 0 369.399 -0.742 20 0 FBADRM C[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)[O-] ZINC000655561440 483882712 /nfs/dbraw/zinc/88/27/12/483882712.db2.gz LUYGBYUFPVYOEN-SNVBAGLBSA-N -1 0 369.399 -0.742 20 0 FBADRM C[C@@H](CNC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)C(=O)[O-] ZINC000655562083 483884314 /nfs/dbraw/zinc/88/43/14/483884314.db2.gz RNAZKDNIAHKGSG-JTQLQIEISA-N -1 0 356.400 -0.001 20 0 FBADRM C[C@H](CNC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)C(=O)[O-] ZINC000655562084 483884183 /nfs/dbraw/zinc/88/41/83/483884183.db2.gz RNAZKDNIAHKGSG-SNVBAGLBSA-N -1 0 356.400 -0.001 20 0 FBADRM C[C@H](CNC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000655562405 483884357 /nfs/dbraw/zinc/88/43/57/483884357.db2.gz QMOYYZUXSQMCAE-BXKDBHETSA-N -1 0 361.354 -0.246 20 0 FBADRM C[C@@H](CNC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000655562406 483884280 /nfs/dbraw/zinc/88/42/80/483884280.db2.gz QMOYYZUXSQMCAE-CABZTGNLSA-N -1 0 361.354 -0.246 20 0 FBADRM C[C@@H](CNC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000655562407 483884301 /nfs/dbraw/zinc/88/43/01/483884301.db2.gz QMOYYZUXSQMCAE-JOYOIKCWSA-N -1 0 361.354 -0.246 20 0 FBADRM C[C@H](CNC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000655562408 483884263 /nfs/dbraw/zinc/88/42/63/483884263.db2.gz QMOYYZUXSQMCAE-SKDRFNHKSA-N -1 0 361.354 -0.246 20 0 FBADRM CC(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)C(=O)[O-] ZINC000655568497 483894114 /nfs/dbraw/zinc/89/41/14/483894114.db2.gz LOEWPGRSSUANHN-MRVPVSSYSA-N -1 0 361.376 -0.870 20 0 FBADRM CC(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)C(=O)[O-] ZINC000655568498 483894030 /nfs/dbraw/zinc/89/40/30/483894030.db2.gz LOEWPGRSSUANHN-QMMMGPOBSA-N -1 0 361.376 -0.870 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NC[C@@H](C(=O)[O-])C(C)C)cn1C ZINC000655569448 483894559 /nfs/dbraw/zinc/89/45/59/483894559.db2.gz DHFIOYWJQXHSLG-LLVKDONJSA-N -1 0 360.436 -0.130 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NC[C@H](C(=O)[O-])C(C)C)cn1C ZINC000655569449 483894513 /nfs/dbraw/zinc/89/45/13/483894513.db2.gz DHFIOYWJQXHSLG-NSHDSACASA-N -1 0 360.436 -0.130 20 0 FBADRM CC(C)[C@H](CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000655569586 483894433 /nfs/dbraw/zinc/89/44/33/483894433.db2.gz HRJCLCUURWTXRS-SRVKXCTJSA-N -1 0 360.432 -0.505 20 0 FBADRM CC(C)[C@H](CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000655569587 483894569 /nfs/dbraw/zinc/89/45/69/483894569.db2.gz HRJCLCUURWTXRS-TUAOUCFPSA-N -1 0 360.432 -0.505 20 0 FBADRM CC(C)[C@H](CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000655569588 483894436 /nfs/dbraw/zinc/89/44/36/483894436.db2.gz HRJCLCUURWTXRS-UTUOFQBUSA-N -1 0 360.432 -0.505 20 0 FBADRM CC(C)[C@H](CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000655569589 483894435 /nfs/dbraw/zinc/89/44/35/483894435.db2.gz HRJCLCUURWTXRS-WOPDTQHZSA-N -1 0 360.432 -0.505 20 0 FBADRM CC(C)[C@H](CNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000655569965 483894587 /nfs/dbraw/zinc/89/45/87/483894587.db2.gz SPRFBXLYTNOARW-JTQLQIEISA-N -1 0 350.375 -0.338 20 0 FBADRM CC(C)[C@@H](CNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000655569966 483894416 /nfs/dbraw/zinc/89/44/16/483894416.db2.gz SPRFBXLYTNOARW-SNVBAGLBSA-N -1 0 350.375 -0.338 20 0 FBADRM CC(C)[C@H](CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000655570138 483894589 /nfs/dbraw/zinc/89/45/89/483894589.db2.gz AHXXGSSSHCUEFI-JTQLQIEISA-N -1 0 365.390 -0.703 20 0 FBADRM CC(C)[C@@H](CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000655570139 483894461 /nfs/dbraw/zinc/89/44/61/483894461.db2.gz AHXXGSSSHCUEFI-SNVBAGLBSA-N -1 0 365.390 -0.703 20 0 FBADRM CC(C)[C@@H](CNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)C(=O)[O-] ZINC000655570204 483894463 /nfs/dbraw/zinc/89/44/63/483894463.db2.gz YAJJBRHGXMVYNL-MRVPVSSYSA-N -1 0 351.363 -0.232 20 0 FBADRM CC(C)[C@H](CNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)C(=O)[O-] ZINC000655570206 483894380 /nfs/dbraw/zinc/89/43/80/483894380.db2.gz YAJJBRHGXMVYNL-QMMMGPOBSA-N -1 0 351.363 -0.232 20 0 FBADRM C[C@H](NC(=O)CNS(=O)(=O)c1cn(C)cn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579300 483906464 /nfs/dbraw/zinc/90/64/64/483906464.db2.gz MHPGYACZFPOAJA-GARJFASQSA-N -1 0 372.447 -0.050 20 0 FBADRM C[C@@H](NC(=O)CNS(=O)(=O)c1cn(C)cn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579301 483906373 /nfs/dbraw/zinc/90/63/73/483906373.db2.gz MHPGYACZFPOAJA-OUAUKWLOSA-N -1 0 372.447 -0.050 20 0 FBADRM C[C@@H](NC(=O)CNS(=O)(=O)c1cnn(C)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655581922 483953366 /nfs/dbraw/zinc/95/33/66/483953366.db2.gz PIIFIJHKWROLJP-ADEWGFFLSA-N -1 0 372.447 -0.050 20 0 FBADRM C[C@H](NC(=O)CNS(=O)(=O)c1cnn(C)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655581923 483955908 /nfs/dbraw/zinc/95/59/08/483955908.db2.gz PIIFIJHKWROLJP-ZMLRMANQSA-N -1 0 372.447 -0.050 20 0 FBADRM CCN1CCN(CC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(=O)C1=O ZINC000655582606 483958963 /nfs/dbraw/zinc/95/89/63/483958963.db2.gz ZTQVEBVNJNNEPZ-GRYCIOLGSA-N -1 0 353.419 -0.071 20 0 FBADRM CCN1CCN(CC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(=O)C1=O ZINC000655582607 483958992 /nfs/dbraw/zinc/95/89/92/483958992.db2.gz ZTQVEBVNJNNEPZ-SDDRHHMPSA-N -1 0 353.419 -0.071 20 0 FBADRM O=C([O-])CN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCC1 ZINC000655589905 484004197 /nfs/dbraw/zinc/00/41/97/484004197.db2.gz MHTDPFRINAEKTE-CYBMUJFWSA-N -1 0 353.419 -0.367 20 0 FBADRM O=C([O-])CN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCC1 ZINC000655589906 484004033 /nfs/dbraw/zinc/00/40/33/484004033.db2.gz MHTDPFRINAEKTE-ZDUSSCGKSA-N -1 0 353.419 -0.367 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N(CC(=O)[O-])C2CCC2)cn1C ZINC000655591086 484006552 /nfs/dbraw/zinc/00/65/52/484006552.db2.gz DHULXDQDISAAFR-UHFFFAOYSA-N -1 0 358.420 -0.137 20 0 FBADRM O=C([O-])CN(C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CCC1 ZINC000655592970 484012776 /nfs/dbraw/zinc/01/27/76/484012776.db2.gz UCZARBSGBBPYRS-CMPLNLGQSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])CN(C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CCC1 ZINC000655592972 484012226 /nfs/dbraw/zinc/01/22/26/484012226.db2.gz UCZARBSGBBPYRS-JQWIXIFHSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])CN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CCC1 ZINC000655592974 484013468 /nfs/dbraw/zinc/01/34/68/484013468.db2.gz UCZARBSGBBPYRS-PWSUYJOCSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])CN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CCC1 ZINC000655592975 484015164 /nfs/dbraw/zinc/01/51/64/484015164.db2.gz UCZARBSGBBPYRS-ZYHUDNBSSA-N -1 0 358.416 -0.512 20 0 FBADRM Cn1c2ncn(CCC(=O)N(CC(=O)[O-])C3CCC3)c2c(=O)n(C)c1=O ZINC000655593289 484010082 /nfs/dbraw/zinc/01/00/82/484010082.db2.gz FJHGIFRXLBLHCH-UHFFFAOYSA-N -1 0 363.374 -0.711 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC000655597556 484014422 /nfs/dbraw/zinc/01/44/22/484014422.db2.gz SHCISIHLGINZTP-GFCCVEGCSA-N -1 0 359.404 -0.851 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000655597557 484015229 /nfs/dbraw/zinc/01/52/29/484015229.db2.gz SHCISIHLGINZTP-LBPRGKRZSA-N -1 0 359.404 -0.851 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC000655600420 484016331 /nfs/dbraw/zinc/01/63/31/484016331.db2.gz FYLUMFPSTVEBLQ-GFCCVEGCSA-N -1 0 359.404 -0.851 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000655600421 484017308 /nfs/dbraw/zinc/01/73/08/484017308.db2.gz FYLUMFPSTVEBLQ-LBPRGKRZSA-N -1 0 359.404 -0.851 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])C1=O ZINC000655602287 484018292 /nfs/dbraw/zinc/01/82/92/484018292.db2.gz YXYWISWJTLVVOQ-PXAZEXFGSA-N -1 0 360.370 -0.086 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])C1=O ZINC000655602288 484019182 /nfs/dbraw/zinc/01/91/82/484019182.db2.gz YXYWISWJTLVVOQ-SJCJKPOMSA-N -1 0 360.370 -0.086 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])C1=O ZINC000655602289 484018966 /nfs/dbraw/zinc/01/89/66/484018966.db2.gz YXYWISWJTLVVOQ-SJKOYZFVSA-N -1 0 360.370 -0.086 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])C1=O ZINC000655602290 484018905 /nfs/dbraw/zinc/01/89/05/484018905.db2.gz YXYWISWJTLVVOQ-YVEFUNNKSA-N -1 0 360.370 -0.086 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC000655602445 484019041 /nfs/dbraw/zinc/01/90/41/484019041.db2.gz YOMJZSBNHUQUJU-CYBMUJFWSA-N -1 0 373.431 -0.462 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000655602449 484018028 /nfs/dbraw/zinc/01/80/28/484018028.db2.gz YOMJZSBNHUQUJU-ZDUSSCGKSA-N -1 0 373.431 -0.462 20 0 FBADRM O=S(=O)([N-]c1nnc[nH]1)c1ccc(S(=O)(=O)N2CCCOC2)cc1 ZINC000655649729 484088617 /nfs/dbraw/zinc/08/86/17/484088617.db2.gz NGHNBCRTAPFIOK-UHFFFAOYSA-N -1 0 373.416 -0.026 20 0 FBADRM C[C@H](CNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)[O-] ZINC000655859645 484502861 /nfs/dbraw/zinc/50/28/61/484502861.db2.gz CAABBMLMXVQRNS-LLVKDONJSA-N -1 0 362.386 -0.222 20 0 FBADRM C[C@@H](CNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)[O-] ZINC000655859646 484503013 /nfs/dbraw/zinc/50/30/13/484503013.db2.gz CAABBMLMXVQRNS-NSHDSACASA-N -1 0 362.386 -0.222 20 0 FBADRM C[C@H](CNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000655866290 484504398 /nfs/dbraw/zinc/50/43/98/484504398.db2.gz ODYKDISFHGBGOS-GFCCVEGCSA-N -1 0 364.406 -0.465 20 0 FBADRM C[C@@H](CNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000655866291 484504065 /nfs/dbraw/zinc/50/40/65/484504065.db2.gz ODYKDISFHGBGOS-LBPRGKRZSA-N -1 0 364.406 -0.465 20 0 FBADRM C[C@H](CNC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)C(=O)[O-] ZINC000655866964 484504003 /nfs/dbraw/zinc/50/40/03/484504003.db2.gz FUSJSYVBFBGVTF-LLVKDONJSA-N -1 0 373.431 -0.181 20 0 FBADRM C[C@@H](CNC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)C(=O)[O-] ZINC000655866965 484504153 /nfs/dbraw/zinc/50/41/53/484504153.db2.gz FUSJSYVBFBGVTF-NSHDSACASA-N -1 0 373.431 -0.181 20 0 FBADRM C[C@H](CNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)C(=O)[O-] ZINC000655867338 484504044 /nfs/dbraw/zinc/50/40/44/484504044.db2.gz IOXYIUOHUJKOTG-GHMZBOCLSA-N -1 0 351.425 -0.505 20 0 FBADRM C[C@H](CNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)C(=O)[O-] ZINC000655867339 484504230 /nfs/dbraw/zinc/50/42/30/484504230.db2.gz IOXYIUOHUJKOTG-MNOVXSKESA-N -1 0 351.425 -0.505 20 0 FBADRM C[C@@H](CNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)C(=O)[O-] ZINC000655867340 484504133 /nfs/dbraw/zinc/50/41/33/484504133.db2.gz IOXYIUOHUJKOTG-QWRGUYRKSA-N -1 0 351.425 -0.505 20 0 FBADRM C[C@@H](CNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)C(=O)[O-] ZINC000655867341 484504253 /nfs/dbraw/zinc/50/42/53/484504253.db2.gz IOXYIUOHUJKOTG-WDEREUQCSA-N -1 0 351.425 -0.505 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000655869437 484503974 /nfs/dbraw/zinc/50/39/74/484503974.db2.gz FGDCLTBRJHEYTR-CYBMUJFWSA-N -1 0 356.423 -0.277 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)NC[C@H](C(=O)[O-])C(C)C)CC1 ZINC000655869438 484504262 /nfs/dbraw/zinc/50/42/62/484504262.db2.gz FGDCLTBRJHEYTR-ZDUSSCGKSA-N -1 0 356.423 -0.277 20 0 FBADRM C[C@@H](CNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)C(=O)[O-] ZINC000655870599 484504284 /nfs/dbraw/zinc/50/42/84/484504284.db2.gz ZJLRUEZZSBBDTI-JTQLQIEISA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H](CNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)C(=O)[O-] ZINC000655870600 484504203 /nfs/dbraw/zinc/50/42/03/484504203.db2.gz ZJLRUEZZSBBDTI-SNVBAGLBSA-N -1 0 373.435 -0.407 20 0 FBADRM CC(C)[C@@H](CNC(=O)NCCNS(=O)(=O)Cc1ccon1)C(=O)[O-] ZINC000655872721 484505855 /nfs/dbraw/zinc/50/58/55/484505855.db2.gz OZJDVOGMQZGADN-LLVKDONJSA-N -1 0 362.408 -0.250 20 0 FBADRM CC(C)[C@H](CNC(=O)NCCNS(=O)(=O)Cc1ccon1)C(=O)[O-] ZINC000655872722 484505845 /nfs/dbraw/zinc/50/58/45/484505845.db2.gz OZJDVOGMQZGADN-NSHDSACASA-N -1 0 362.408 -0.250 20 0 FBADRM CC(C)[C@H](CNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)C(=O)[O-] ZINC000655880427 484509016 /nfs/dbraw/zinc/50/90/16/484509016.db2.gz ZCSXEKVKJLBMDZ-NEPJUHHUSA-N -1 0 364.468 -0.087 20 0 FBADRM CC(C)[C@@H](CNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)C(=O)[O-] ZINC000655880428 484509125 /nfs/dbraw/zinc/50/91/25/484509125.db2.gz ZCSXEKVKJLBMDZ-VXGBXAGGSA-N -1 0 364.468 -0.087 20 0 FBADRM C[C@@H](CNC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1)C(=O)[O-] ZINC000655881079 484508882 /nfs/dbraw/zinc/50/88/82/484508882.db2.gz GZXSCPDGWIPBSF-CMPLNLGQSA-N -1 0 364.468 -0.039 20 0 FBADRM C[C@@H](CNC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1)C(=O)[O-] ZINC000655881080 484508824 /nfs/dbraw/zinc/50/88/24/484508824.db2.gz GZXSCPDGWIPBSF-JQWIXIFHSA-N -1 0 364.468 -0.039 20 0 FBADRM C[C@H](CNC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1)C(=O)[O-] ZINC000655881081 484508965 /nfs/dbraw/zinc/50/89/65/484508965.db2.gz GZXSCPDGWIPBSF-PWSUYJOCSA-N -1 0 364.468 -0.039 20 0 FBADRM C[C@H](CNC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1)C(=O)[O-] ZINC000655881082 484509066 /nfs/dbraw/zinc/50/90/66/484509066.db2.gz GZXSCPDGWIPBSF-ZYHUDNBSSA-N -1 0 364.468 -0.039 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000655884862 484508647 /nfs/dbraw/zinc/50/86/47/484508647.db2.gz KXOYNCRYSVFJOX-GFCCVEGCSA-N -1 0 365.452 -0.211 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCN(C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000655884863 484509071 /nfs/dbraw/zinc/50/90/71/484509071.db2.gz KXOYNCRYSVFJOX-LBPRGKRZSA-N -1 0 365.452 -0.211 20 0 FBADRM C[C@@H](CNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)C(=O)[O-] ZINC000655884872 484509038 /nfs/dbraw/zinc/50/90/38/484509038.db2.gz LCAYJZKFRMREET-JTQLQIEISA-N -1 0 360.392 -0.448 20 0 FBADRM C[C@H](CNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)C(=O)[O-] ZINC000655884873 484508885 /nfs/dbraw/zinc/50/88/85/484508885.db2.gz LCAYJZKFRMREET-SNVBAGLBSA-N -1 0 360.392 -0.448 20 0 FBADRM COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000655885747 484509188 /nfs/dbraw/zinc/50/91/88/484509188.db2.gz YQRJTAKEZIYPRX-NEPJUHHUSA-N -1 0 365.452 -0.211 20 0 FBADRM COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000655885749 484509073 /nfs/dbraw/zinc/50/90/73/484509073.db2.gz YQRJTAKEZIYPRX-NWDGAFQWSA-N -1 0 365.452 -0.211 20 0 FBADRM COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000655885839 484508685 /nfs/dbraw/zinc/50/86/85/484508685.db2.gz YQRJTAKEZIYPRX-RYUDHWBXSA-N -1 0 365.452 -0.211 20 0 FBADRM COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000655885842 484508934 /nfs/dbraw/zinc/50/89/34/484508934.db2.gz YQRJTAKEZIYPRX-VXGBXAGGSA-N -1 0 365.452 -0.211 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000655886916 484509594 /nfs/dbraw/zinc/50/95/94/484509594.db2.gz HKTIWTYGPYGMMX-LLVKDONJSA-N -1 0 351.425 -0.599 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000655886917 484510131 /nfs/dbraw/zinc/51/01/31/484510131.db2.gz HKTIWTYGPYGMMX-NSHDSACASA-N -1 0 351.425 -0.599 20 0 FBADRM C[C@H](CNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C(=O)[O-] ZINC000655886956 484510259 /nfs/dbraw/zinc/51/02/59/484510259.db2.gz IBDPWYQVVLGGSV-NEPJUHHUSA-N -1 0 363.436 -0.457 20 0 FBADRM C[C@@H](CNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C(=O)[O-] ZINC000655886957 484510003 /nfs/dbraw/zinc/51/00/03/484510003.db2.gz IBDPWYQVVLGGSV-NWDGAFQWSA-N -1 0 363.436 -0.457 20 0 FBADRM C[C@@H](CNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C(=O)[O-] ZINC000655887061 484510316 /nfs/dbraw/zinc/51/03/16/484510316.db2.gz IBDPWYQVVLGGSV-RYUDHWBXSA-N -1 0 363.436 -0.457 20 0 FBADRM C[C@H](CNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C(=O)[O-] ZINC000655887062 484509549 /nfs/dbraw/zinc/50/95/49/484509549.db2.gz IBDPWYQVVLGGSV-VXGBXAGGSA-N -1 0 363.436 -0.457 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@H](C)C(=O)[O-])CC2)cn1C ZINC000655887232 484509889 /nfs/dbraw/zinc/50/98/89/484509889.db2.gz JQVHWQJVBKQFMO-JTQLQIEISA-N -1 0 373.435 -0.535 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@@H](C)C(=O)[O-])CC2)cn1C ZINC000655887237 484510058 /nfs/dbraw/zinc/51/00/58/484510058.db2.gz JQVHWQJVBKQFMO-SNVBAGLBSA-N -1 0 373.435 -0.535 20 0 FBADRM C[C@H](CNC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)C(=O)[O-] ZINC000655888158 484510339 /nfs/dbraw/zinc/51/03/39/484510339.db2.gz IDCAKXBSTSBTGA-LLVKDONJSA-N -1 0 370.431 -0.114 20 0 FBADRM C[C@@H](CNC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)C(=O)[O-] ZINC000655888160 484510146 /nfs/dbraw/zinc/51/01/46/484510146.db2.gz IDCAKXBSTSBTGA-NSHDSACASA-N -1 0 370.431 -0.114 20 0 FBADRM C[C@H](CNC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1)C(=O)[O-] ZINC000655889505 484510329 /nfs/dbraw/zinc/51/03/29/484510329.db2.gz RTLVBCYXRBRCSJ-BDAKNGLRSA-N -1 0 350.418 -0.097 20 0 FBADRM C[C@@H](CNC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1)C(=O)[O-] ZINC000655889507 484510025 /nfs/dbraw/zinc/51/00/25/484510025.db2.gz RTLVBCYXRBRCSJ-DTWKUNHWSA-N -1 0 350.418 -0.097 20 0 FBADRM C[C@@H](CNC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1)C(=O)[O-] ZINC000655889509 484509744 /nfs/dbraw/zinc/50/97/44/484509744.db2.gz RTLVBCYXRBRCSJ-IUCAKERBSA-N -1 0 350.418 -0.097 20 0 FBADRM C[C@H](CNC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1)C(=O)[O-] ZINC000655889511 484509620 /nfs/dbraw/zinc/50/96/20/484509620.db2.gz RTLVBCYXRBRCSJ-RKDXNWHRSA-N -1 0 350.418 -0.097 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000655890216 484511862 /nfs/dbraw/zinc/51/18/62/484511862.db2.gz CBJQKSBFHVNOCW-GFCCVEGCSA-N -1 0 356.423 -0.278 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1 ZINC000655890217 484512467 /nfs/dbraw/zinc/51/24/67/484512467.db2.gz CBJQKSBFHVNOCW-LBPRGKRZSA-N -1 0 356.423 -0.278 20 0 FBADRM CC(C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)C(=O)[O-] ZINC000655890318 484512276 /nfs/dbraw/zinc/51/22/76/484512276.db2.gz FREIOLVFAIDHDH-LLVKDONJSA-N -1 0 350.441 -0.523 20 0 FBADRM CC(C)[C@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)C(=O)[O-] ZINC000655890319 484512485 /nfs/dbraw/zinc/51/24/85/484512485.db2.gz FREIOLVFAIDHDH-NSHDSACASA-N -1 0 350.441 -0.523 20 0 FBADRM CC(C)[C@@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000655890787 484512167 /nfs/dbraw/zinc/51/21/67/484512167.db2.gz QXQQYNCGXVPZHV-CYBMUJFWSA-N -1 0 368.434 -0.181 20 0 FBADRM CC(C)[C@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000655890788 484512533 /nfs/dbraw/zinc/51/25/33/484512533.db2.gz QXQQYNCGXVPZHV-ZDUSSCGKSA-N -1 0 368.434 -0.181 20 0 FBADRM CC(C)[C@@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C(=O)[O-] ZINC000655890963 484512086 /nfs/dbraw/zinc/51/20/86/484512086.db2.gz XBZCJBUXWDAFTA-GFCCVEGCSA-N -1 0 354.407 -0.524 20 0 FBADRM CC(C)[C@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C(=O)[O-] ZINC000655890964 484512070 /nfs/dbraw/zinc/51/20/70/484512070.db2.gz XBZCJBUXWDAFTA-LBPRGKRZSA-N -1 0 354.407 -0.524 20 0 FBADRM CC(C)[C@@H](CNC(=O)N1CCN(c2nccn(C)c2=O)CC1)C(=O)[O-] ZINC000655893126 484513133 /nfs/dbraw/zinc/51/31/33/484513133.db2.gz IZXGITWQWWTHKU-GFCCVEGCSA-N -1 0 351.407 -0.031 20 0 FBADRM CC(C)[C@H](CNC(=O)N1CCN(c2nccn(C)c2=O)CC1)C(=O)[O-] ZINC000655893127 484512807 /nfs/dbraw/zinc/51/28/07/484512807.db2.gz IZXGITWQWWTHKU-LBPRGKRZSA-N -1 0 351.407 -0.031 20 0 FBADRM CC(C)[C@@H](CNC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1)C(=O)[O-] ZINC000655896865 484513412 /nfs/dbraw/zinc/51/34/12/484513412.db2.gz PKJLXHBFBOWPPI-GFCCVEGCSA-N -1 0 364.468 -0.133 20 0 FBADRM CC(C)[C@H](CNC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1)C(=O)[O-] ZINC000655896866 484512788 /nfs/dbraw/zinc/51/27/88/484512788.db2.gz PKJLXHBFBOWPPI-LBPRGKRZSA-N -1 0 364.468 -0.133 20 0 FBADRM CNS(=O)(=O)NC1CCN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000655897441 484515888 /nfs/dbraw/zinc/51/58/88/484515888.db2.gz YUWJRSVVNAYJHG-LLVKDONJSA-N -1 0 350.441 -0.429 20 0 FBADRM CNS(=O)(=O)NC1CCN(C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1 ZINC000655897442 484515757 /nfs/dbraw/zinc/51/57/57/484515757.db2.gz YUWJRSVVNAYJHG-NSHDSACASA-N -1 0 350.441 -0.429 20 0 FBADRM C[C@H](NC(=O)N1CCN(CC(N)=O)C(=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655900260 484516568 /nfs/dbraw/zinc/51/65/68/484516568.db2.gz PZJKUFCQGTWVBQ-GARJFASQSA-N -1 0 354.407 -0.539 20 0 FBADRM C[C@@H](NC(=O)N1CCN(CC(N)=O)C(=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655900261 484517035 /nfs/dbraw/zinc/51/70/35/484517035.db2.gz PZJKUFCQGTWVBQ-OUAUKWLOSA-N -1 0 354.407 -0.539 20 0 FBADRM C[C@@H](NC(=O)NC[C@]1(O)CCS(=O)(=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655900670 484516563 /nfs/dbraw/zinc/51/65/63/484516563.db2.gz VMSDZJRYVWIHHB-JNIYBQFBSA-N -1 0 362.448 -0.029 20 0 FBADRM C[C@H](NC(=O)NC[C@]1(O)CCS(=O)(=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655900672 484517124 /nfs/dbraw/zinc/51/71/24/484517124.db2.gz VMSDZJRYVWIHHB-KIGUWFBYSA-N -1 0 362.448 -0.029 20 0 FBADRM C[C@@H](NC(=O)NC[C@@]1(O)CCS(=O)(=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655900674 484516461 /nfs/dbraw/zinc/51/64/61/484516461.db2.gz VMSDZJRYVWIHHB-RSQPEXBXSA-N -1 0 362.448 -0.029 20 0 FBADRM C[C@H](NC(=O)NC[C@@]1(O)CCS(=O)(=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655900676 484516401 /nfs/dbraw/zinc/51/64/01/484516401.db2.gz VMSDZJRYVWIHHB-ZVXAKGHKSA-N -1 0 362.448 -0.029 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN(CC(=O)[O-])C2CCC2)c(=O)n(C)c1=O ZINC000655933666 484518611 /nfs/dbraw/zinc/51/86/11/484518611.db2.gz QEJCMVOCPDDIAV-UHFFFAOYSA-N -1 0 366.418 -0.093 20 0 FBADRM CC(C)(C)NC(=O)CN1CCN(C(=O)CN(CC(=O)[O-])C2CCC2)CC1 ZINC000655933859 484519199 /nfs/dbraw/zinc/51/91/99/484519199.db2.gz XCBKYGJTMQXMEM-UHFFFAOYSA-N -1 0 368.478 -0.016 20 0 FBADRM C[C@H](CNC(=O)C(=O)Nc1ccccc1N(C)S(C)(=O)=O)C(=O)[O-] ZINC000655939043 484520591 /nfs/dbraw/zinc/52/05/91/484520591.db2.gz APBIAOXSAYTWOZ-SECBINFHSA-N -1 0 357.388 -0.142 20 0 FBADRM C[C@@H](CNC(=O)C(=O)Nc1ccccc1N(C)S(C)(=O)=O)C(=O)[O-] ZINC000655939045 484520168 /nfs/dbraw/zinc/52/01/68/484520168.db2.gz APBIAOXSAYTWOZ-VIFPVBQESA-N -1 0 357.388 -0.142 20 0 FBADRM C[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)[O-] ZINC000655939108 484520237 /nfs/dbraw/zinc/52/02/37/484520237.db2.gz BWQIKKNGCZESRA-SECBINFHSA-N -1 0 369.399 -0.097 20 0 FBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)[O-] ZINC000655939110 484520318 /nfs/dbraw/zinc/52/03/18/484520318.db2.gz BWQIKKNGCZESRA-VIFPVBQESA-N -1 0 369.399 -0.097 20 0 FBADRM Cn1cnnc1N1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000655939355 484518876 /nfs/dbraw/zinc/51/88/76/484518876.db2.gz NLSJHZNNPQWANN-UHFFFAOYSA-N -1 0 358.358 -0.199 20 0 FBADRM C[C@@H](CNC(=O)C(=O)Nc1cc(Br)cn(C)c1=O)C(=O)[O-] ZINC000655939478 484518751 /nfs/dbraw/zinc/51/87/51/484518751.db2.gz IAIDMGUKRWFIDL-LURJTMIESA-N -1 0 360.164 -0.077 20 0 FBADRM C[C@H](CNC(=O)C(=O)Nc1cc(Br)cn(C)c1=O)C(=O)[O-] ZINC000655939479 484518626 /nfs/dbraw/zinc/51/86/26/484518626.db2.gz IAIDMGUKRWFIDL-ZCFIWIBFSA-N -1 0 360.164 -0.077 20 0 FBADRM Cn1cnnc1N1CCN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000655939647 484519294 /nfs/dbraw/zinc/51/92/94/484519294.db2.gz SPIBNNXAIHWFFM-UHFFFAOYSA-N -1 0 372.385 -0.271 20 0 FBADRM Cn1cnnc1N1CCN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000655939812 484519513 /nfs/dbraw/zinc/51/95/13/484519513.db2.gz URIMNLMYNOUPRM-UHFFFAOYSA-N -1 0 372.385 -0.271 20 0 FBADRM Cn1cnnc1N1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000655940250 484519366 /nfs/dbraw/zinc/51/93/66/484519366.db2.gz ZKWSVISZKCMMQD-UHFFFAOYSA-N -1 0 358.358 -0.199 20 0 FBADRM CC(=O)NCCN(C(=O)C(=O)Nc1cnn(C(C)C)c1)[C@@H](C)C(=O)[O-] ZINC000655940264 484519263 /nfs/dbraw/zinc/51/92/63/484519263.db2.gz ZOPXQPVMQAPFOA-JTQLQIEISA-N -1 0 353.379 -0.160 20 0 FBADRM CC(=O)NCCN(C(=O)C(=O)Nc1cnn(C(C)C)c1)[C@H](C)C(=O)[O-] ZINC000655940267 484518819 /nfs/dbraw/zinc/51/88/19/484518819.db2.gz ZOPXQPVMQAPFOA-SNVBAGLBSA-N -1 0 353.379 -0.160 20 0 FBADRM COc1ccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1NS(C)(=O)=O ZINC000655940275 484518711 /nfs/dbraw/zinc/51/87/11/484518711.db2.gz QFNXIWLKTICROQ-MRVPVSSYSA-N -1 0 373.387 -0.158 20 0 FBADRM COc1ccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1NS(C)(=O)=O ZINC000655940277 484519103 /nfs/dbraw/zinc/51/91/03/484519103.db2.gz QFNXIWLKTICROQ-QMMMGPOBSA-N -1 0 373.387 -0.158 20 0 FBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)C(=O)[O-] ZINC000655940278 484518654 /nfs/dbraw/zinc/51/86/54/484518654.db2.gz QGBJCLNNFOGSFG-GXSJLCMTSA-N -1 0 361.354 -0.333 20 0 FBADRM C[C@H](CNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)C(=O)[O-] ZINC000655940280 484518906 /nfs/dbraw/zinc/51/89/06/484518906.db2.gz QGBJCLNNFOGSFG-KOLCDFICSA-N -1 0 361.354 -0.333 20 0 FBADRM C[C@H](CNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)C(=O)[O-] ZINC000655940281 484519030 /nfs/dbraw/zinc/51/90/30/484519030.db2.gz QGBJCLNNFOGSFG-MWLCHTKSSA-N -1 0 361.354 -0.333 20 0 FBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)C(=O)[O-] ZINC000655940282 484519130 /nfs/dbraw/zinc/51/91/30/484519130.db2.gz QGBJCLNNFOGSFG-ONGXEEELSA-N -1 0 361.354 -0.333 20 0 FBADRM C[C@@H](CNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1)C(=O)[O-] ZINC000655940331 484519283 /nfs/dbraw/zinc/51/92/83/484519283.db2.gz RLKRMEZHLTYJJY-LURJTMIESA-N -1 0 360.164 -0.077 20 0 FBADRM C[C@H](CNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1)C(=O)[O-] ZINC000655940332 484519477 /nfs/dbraw/zinc/51/94/77/484519477.db2.gz RLKRMEZHLTYJJY-ZCFIWIBFSA-N -1 0 360.164 -0.077 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])ccc1F ZINC000655940474 484518826 /nfs/dbraw/zinc/51/88/26/484518826.db2.gz CEWBNLCBPKVGAA-SSDOTTSWSA-N -1 0 361.351 -0.491 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])ccc1F ZINC000655940480 484519545 /nfs/dbraw/zinc/51/95/45/484519545.db2.gz CEWBNLCBPKVGAA-ZETCQYMHSA-N -1 0 361.351 -0.491 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1C ZINC000655940768 484518589 /nfs/dbraw/zinc/51/85/89/484518589.db2.gz XCKGQPQVZMEYLI-MRVPVSSYSA-N -1 0 357.388 -0.321 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1C ZINC000655940769 484518956 /nfs/dbraw/zinc/51/89/56/484518956.db2.gz XCKGQPQVZMEYLI-QMMMGPOBSA-N -1 0 357.388 -0.321 20 0 FBADRM C[C@H](CNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O)C(=O)[O-] ZINC000655940851 484519079 /nfs/dbraw/zinc/51/90/79/484519079.db2.gz ZEQRJQYQVGVDMT-SECBINFHSA-N -1 0 369.399 -0.216 20 0 FBADRM C[C@@H](CNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O)C(=O)[O-] ZINC000655940852 484518949 /nfs/dbraw/zinc/51/89/49/484518949.db2.gz ZEQRJQYQVGVDMT-VIFPVBQESA-N -1 0 369.399 -0.216 20 0 FBADRM COCCNC(=O)c1cccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000655940888 484519125 /nfs/dbraw/zinc/51/91/25/484519125.db2.gz GORGDGXTMLVWTQ-JTQLQIEISA-N -1 0 351.359 -0.162 20 0 FBADRM COCCNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000655940889 484518841 /nfs/dbraw/zinc/51/88/41/484518841.db2.gz GORGDGXTMLVWTQ-SNVBAGLBSA-N -1 0 351.359 -0.162 20 0 FBADRM COc1ccc(NS(C)(=O)=O)cc1NC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655941246 484519327 /nfs/dbraw/zinc/51/93/27/484519327.db2.gz OSTHVKVGJVUPPT-MRVPVSSYSA-N -1 0 373.387 -0.158 20 0 FBADRM COc1ccc(NS(C)(=O)=O)cc1NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655941247 484518975 /nfs/dbraw/zinc/51/89/75/484518975.db2.gz OSTHVKVGJVUPPT-QMMMGPOBSA-N -1 0 373.387 -0.158 20 0 FBADRM COCC(=O)N1CCc2cc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])ccc21 ZINC000655941420 484519349 /nfs/dbraw/zinc/51/93/49/484519349.db2.gz TXKZGUMBYHCAPS-JTQLQIEISA-N -1 0 363.370 -0.003 20 0 FBADRM COCC(=O)N1CCc2cc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])ccc21 ZINC000655941421 484519090 /nfs/dbraw/zinc/51/90/90/484519090.db2.gz TXKZGUMBYHCAPS-SNVBAGLBSA-N -1 0 363.370 -0.003 20 0 FBADRM CNC(=O)COc1ccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c(C)c1 ZINC000655941648 484519049 /nfs/dbraw/zinc/51/90/49/484519049.db2.gz YGZDZPHAQOFEBF-JTQLQIEISA-N -1 0 351.359 -0.105 20 0 FBADRM CNC(=O)COc1ccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c(C)c1 ZINC000655941649 484519138 /nfs/dbraw/zinc/51/91/38/484519138.db2.gz YGZDZPHAQOFEBF-SNVBAGLBSA-N -1 0 351.359 -0.105 20 0 FBADRM Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1C ZINC000655941782 484518637 /nfs/dbraw/zinc/51/86/37/484518637.db2.gz BGBXDRCRSISLGN-MRVPVSSYSA-N -1 0 357.388 -0.274 20 0 FBADRM Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1C ZINC000655941783 484519144 /nfs/dbraw/zinc/51/91/44/484519144.db2.gz BGBXDRCRSISLGN-QMMMGPOBSA-N -1 0 357.388 -0.274 20 0 FBADRM CCc1ccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1S(N)(=O)=O ZINC000655941791 484519307 /nfs/dbraw/zinc/51/93/07/484519307.db2.gz CBEBXIZOHQUCFH-MRVPVSSYSA-N -1 0 357.388 -0.328 20 0 FBADRM CCc1ccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1S(N)(=O)=O ZINC000655941792 484518605 /nfs/dbraw/zinc/51/86/05/484518605.db2.gz CBEBXIZOHQUCFH-QMMMGPOBSA-N -1 0 357.388 -0.328 20 0 FBADRM COc1ccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1-n1nnnc1C ZINC000655941869 484518844 /nfs/dbraw/zinc/51/88/44/484518844.db2.gz BLABNZBHDAQVHW-MRVPVSSYSA-N -1 0 362.346 -0.245 20 0 FBADRM COc1ccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1-n1nnnc1C ZINC000655941870 484519085 /nfs/dbraw/zinc/51/90/85/484519085.db2.gz BLABNZBHDAQVHW-QMMMGPOBSA-N -1 0 362.346 -0.245 20 0 FBADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000655942174 484520556 /nfs/dbraw/zinc/52/05/56/484520556.db2.gz KFVBVKDQUALOAD-SECBINFHSA-N -1 0 357.388 -0.321 20 0 FBADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000655942175 484520436 /nfs/dbraw/zinc/52/04/36/484520436.db2.gz KFVBVKDQUALOAD-VIFPVBQESA-N -1 0 357.388 -0.321 20 0 FBADRM CNC(=O)CCOc1ccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000655942446 484520086 /nfs/dbraw/zinc/52/00/86/484520086.db2.gz SAEUDZUABMGMPM-JTQLQIEISA-N -1 0 351.359 -0.023 20 0 FBADRM CNC(=O)CCOc1ccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000655942547 484520364 /nfs/dbraw/zinc/52/03/64/484520364.db2.gz SAEUDZUABMGMPM-SNVBAGLBSA-N -1 0 351.359 -0.023 20 0 FBADRM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC2 ZINC000655942559 484520101 /nfs/dbraw/zinc/52/01/01/484520101.db2.gz SOYNOZLQKCFQTB-SECBINFHSA-N -1 0 369.399 -0.679 20 0 FBADRM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC2 ZINC000655942560 484520380 /nfs/dbraw/zinc/52/03/80/484520380.db2.gz SOYNOZLQKCFQTB-VIFPVBQESA-N -1 0 369.399 -0.679 20 0 FBADRM Cc1nnnn1-c1cc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])ccc1F ZINC000655942620 484520569 /nfs/dbraw/zinc/52/05/69/484520569.db2.gz VZUCKUCKYHIETQ-SSDOTTSWSA-N -1 0 350.310 -0.115 20 0 FBADRM Cc1nnnn1-c1cc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])ccc1F ZINC000655942621 484520487 /nfs/dbraw/zinc/52/04/87/484520487.db2.gz VZUCKUCKYHIETQ-ZETCQYMHSA-N -1 0 350.310 -0.115 20 0 FBADRM C[C@@H](CNC(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1)C(=O)[O-] ZINC000655942857 484520505 /nfs/dbraw/zinc/52/05/05/484520505.db2.gz WYDUZKSRJGYTBP-JTQLQIEISA-N -1 0 351.359 -0.071 20 0 FBADRM C[C@H](CNC(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1)C(=O)[O-] ZINC000655942858 484520298 /nfs/dbraw/zinc/52/02/98/484520298.db2.gz WYDUZKSRJGYTBP-SNVBAGLBSA-N -1 0 351.359 -0.071 20 0 FBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1)C(=O)[O-] ZINC000655943065 484520116 /nfs/dbraw/zinc/52/01/16/484520116.db2.gz DWQHYWOVBJLSLN-JTQLQIEISA-N -1 0 351.359 -0.071 20 0 FBADRM C[C@H](CNC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1)C(=O)[O-] ZINC000655943066 484520110 /nfs/dbraw/zinc/52/01/10/484520110.db2.gz DWQHYWOVBJLSLN-SNVBAGLBSA-N -1 0 351.359 -0.071 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])ccc1C ZINC000655943099 484520457 /nfs/dbraw/zinc/52/04/57/484520457.db2.gz GGRIPTABPKTIKA-SECBINFHSA-N -1 0 357.388 -0.321 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])ccc1C ZINC000655943100 484520509 /nfs/dbraw/zinc/52/05/09/484520509.db2.gz GGRIPTABPKTIKA-VIFPVBQESA-N -1 0 357.388 -0.321 20 0 FBADRM C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1)C(=O)[O-] ZINC000655943200 484520685 /nfs/dbraw/zinc/52/06/85/484520685.db2.gz KBTHCCSUZPDNHR-SECBINFHSA-N -1 0 369.399 -0.097 20 0 FBADRM C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1)C(=O)[O-] ZINC000655943201 484520630 /nfs/dbraw/zinc/52/06/30/484520630.db2.gz KBTHCCSUZPDNHR-VIFPVBQESA-N -1 0 369.399 -0.097 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1)C(=O)[O-] ZINC000655943274 484520496 /nfs/dbraw/zinc/52/04/96/484520496.db2.gz ASVFXCMVOZCBLK-GFCCVEGCSA-N -1 0 351.359 -0.038 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1)C(=O)[O-] ZINC000655943275 484520694 /nfs/dbraw/zinc/52/06/94/484520694.db2.gz ASVFXCMVOZCBLK-LBPRGKRZSA-N -1 0 351.359 -0.038 20 0 FBADRM CCNC(=O)COc1ccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000655943397 484520689 /nfs/dbraw/zinc/52/06/89/484520689.db2.gz NGRWICXDVDLBFL-JTQLQIEISA-N -1 0 351.359 -0.023 20 0 FBADRM CCNC(=O)COc1ccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000655943398 484520202 /nfs/dbraw/zinc/52/02/02/484520202.db2.gz NGRWICXDVDLBFL-SNVBAGLBSA-N -1 0 351.359 -0.023 20 0 FBADRM CCNC(=O)COc1cccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000655943595 484520275 /nfs/dbraw/zinc/52/02/75/484520275.db2.gz QUWYIKDHEVOXRS-JTQLQIEISA-N -1 0 351.359 -0.023 20 0 FBADRM CCNC(=O)COc1cccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000655943596 484520658 /nfs/dbraw/zinc/52/06/58/484520658.db2.gz QUWYIKDHEVOXRS-SNVBAGLBSA-N -1 0 351.359 -0.023 20 0 FBADRM C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000655943776 484520546 /nfs/dbraw/zinc/52/05/46/484520546.db2.gz UIURGLKJXHJWLI-SECBINFHSA-N -1 0 357.388 -0.288 20 0 FBADRM C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000655943777 484520369 /nfs/dbraw/zinc/52/03/69/484520369.db2.gz UIURGLKJXHJWLI-VIFPVBQESA-N -1 0 357.388 -0.288 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1)C(=O)[O-] ZINC000655944016 484520048 /nfs/dbraw/zinc/52/00/48/484520048.db2.gz SMARCLGFTALAMX-GFCCVEGCSA-N -1 0 351.359 -0.038 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1)C(=O)[O-] ZINC000655944017 484520152 /nfs/dbraw/zinc/52/01/52/484520152.db2.gz SMARCLGFTALAMX-LBPRGKRZSA-N -1 0 351.359 -0.038 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000655944791 484520466 /nfs/dbraw/zinc/52/04/66/484520466.db2.gz SFZFZCUIXVYSAC-LLVKDONJSA-N -1 0 357.388 -0.255 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000655944792 484520615 /nfs/dbraw/zinc/52/06/15/484520615.db2.gz SFZFZCUIXVYSAC-NSHDSACASA-N -1 0 357.388 -0.255 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000655944884 484520627 /nfs/dbraw/zinc/52/06/27/484520627.db2.gz WTGKEBPYDRXKLW-JTQLQIEISA-N -1 0 357.388 -0.103 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000655944885 484520643 /nfs/dbraw/zinc/52/06/43/484520643.db2.gz WTGKEBPYDRXKLW-SNVBAGLBSA-N -1 0 357.388 -0.103 20 0 FBADRM COc1ncnc(N(C)C)c1NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655944959 484520356 /nfs/dbraw/zinc/52/03/56/484520356.db2.gz AUHXHJNUBIKXRJ-SECBINFHSA-N -1 0 353.379 -0.037 20 0 FBADRM COc1ncnc(N(C)C)c1NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655944960 484520662 /nfs/dbraw/zinc/52/06/62/484520662.db2.gz AUHXHJNUBIKXRJ-VIFPVBQESA-N -1 0 353.379 -0.037 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1)C(=O)[O-] ZINC000655945274 484520143 /nfs/dbraw/zinc/52/01/43/484520143.db2.gz OZYWBOQQUNLLSH-GFCCVEGCSA-N -1 0 365.390 -0.427 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1)C(=O)[O-] ZINC000655945277 484520439 /nfs/dbraw/zinc/52/04/39/484520439.db2.gz OZYWBOQQUNLLSH-LBPRGKRZSA-N -1 0 365.390 -0.427 20 0 FBADRM COc1ncc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)cc1C(N)=O ZINC000655945790 484520482 /nfs/dbraw/zinc/52/04/82/484520482.db2.gz XYOJFQGTNIOQHU-JTQLQIEISA-N -1 0 352.347 -0.399 20 0 FBADRM COc1ncc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1C(N)=O ZINC000655945792 484520476 /nfs/dbraw/zinc/52/04/76/484520476.db2.gz XYOJFQGTNIOQHU-SNVBAGLBSA-N -1 0 352.347 -0.399 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)S(N)(=O)=O ZINC000655946772 484520450 /nfs/dbraw/zinc/52/04/50/484520450.db2.gz NDVWDIDLPFCANJ-AATLWQCWSA-N -1 0 363.436 -0.969 20 0 FBADRM C[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)S(N)(=O)=O ZINC000655946778 484520074 /nfs/dbraw/zinc/52/00/74/484520074.db2.gz NDVWDIDLPFCANJ-DOLQZWNJSA-N -1 0 363.436 -0.969 20 0 FBADRM C[C@@H](NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655946781 484520207 /nfs/dbraw/zinc/52/02/07/484520207.db2.gz NDVWDIDLPFCANJ-QCLAVDOMSA-N -1 0 363.436 -0.969 20 0 FBADRM C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)S(N)(=O)=O ZINC000655946784 484520094 /nfs/dbraw/zinc/52/00/94/484520094.db2.gz NDVWDIDLPFCANJ-XFWSIPNHSA-N -1 0 363.436 -0.969 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000655946889 484520280 /nfs/dbraw/zinc/52/02/80/484520280.db2.gz IMMUNRLIBGFGQX-LLVKDONJSA-N -1 0 357.388 -0.255 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000655946890 484520063 /nfs/dbraw/zinc/52/00/63/484520063.db2.gz IMMUNRLIBGFGQX-NSHDSACASA-N -1 0 357.388 -0.255 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000655976969 484523677 /nfs/dbraw/zinc/52/36/77/484523677.db2.gz ABHGHUPEEJCYQL-JTQLQIEISA-N -1 0 371.415 -0.610 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000655976972 484524108 /nfs/dbraw/zinc/52/41/08/484524108.db2.gz ABHGHUPEEJCYQL-SNVBAGLBSA-N -1 0 371.415 -0.610 20 0 FBADRM C[C@@H](NC(=O)C(=O)NCCNC(=O)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655977018 484524187 /nfs/dbraw/zinc/52/41/87/484524187.db2.gz DQNBAMIVQVXANG-ADEWGFFLSA-N -1 0 353.419 -0.120 20 0 FBADRM C[C@H](NC(=O)C(=O)NCCNC(=O)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655977019 484523620 /nfs/dbraw/zinc/52/36/20/484523620.db2.gz DQNBAMIVQVXANG-ZMLRMANQSA-N -1 0 353.419 -0.120 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCOCC2)nc1)C(=O)[O-] ZINC000655977704 484523728 /nfs/dbraw/zinc/52/37/28/484523728.db2.gz JBLXVZNKVGHLBI-LLVKDONJSA-N -1 0 350.375 -0.629 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCOCC2)nc1)C(=O)[O-] ZINC000655977705 484523266 /nfs/dbraw/zinc/52/32/66/484523266.db2.gz JBLXVZNKVGHLBI-NSHDSACASA-N -1 0 350.375 -0.629 20 0 FBADRM C[C@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000655977761 484524191 /nfs/dbraw/zinc/52/41/91/484524191.db2.gz KOUAEGIXXQPWGV-BDAKNGLRSA-N -1 0 357.388 -0.652 20 0 FBADRM C[C@@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000655977762 484523723 /nfs/dbraw/zinc/52/37/23/484523723.db2.gz KOUAEGIXXQPWGV-DTWKUNHWSA-N -1 0 357.388 -0.652 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000655977763 484523565 /nfs/dbraw/zinc/52/35/65/484523565.db2.gz KOUAEGIXXQPWGV-IUCAKERBSA-N -1 0 357.388 -0.652 20 0 FBADRM C[C@H](CNC(=O)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000655977764 484524194 /nfs/dbraw/zinc/52/41/94/484524194.db2.gz KOUAEGIXXQPWGV-RKDXNWHRSA-N -1 0 357.388 -0.652 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCc1cccc(OCC(=O)N(C)C)c1)C(=O)[O-] ZINC000655977866 484523358 /nfs/dbraw/zinc/52/33/58/484523358.db2.gz KMYTWFNNFXYLKN-LLVKDONJSA-N -1 0 365.386 -0.393 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCc1cccc(OCC(=O)N(C)C)c1)C(=O)[O-] ZINC000655977867 484523669 /nfs/dbraw/zinc/52/36/69/484523669.db2.gz KMYTWFNNFXYLKN-NSHDSACASA-N -1 0 365.386 -0.393 20 0 FBADRM COCC(=O)Nc1cccc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000655977908 484524211 /nfs/dbraw/zinc/52/42/11/484524211.db2.gz LOBMQGNSBAXWNG-JTQLQIEISA-N -1 0 351.359 -0.275 20 0 FBADRM COCC(=O)Nc1cccc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000655977909 484523932 /nfs/dbraw/zinc/52/39/32/484523932.db2.gz LOBMQGNSBAXWNG-SNVBAGLBSA-N -1 0 351.359 -0.275 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCC1(NS(C)(=O)=O)CCCCC1)C(=O)[O-] ZINC000655977914 484523949 /nfs/dbraw/zinc/52/39/49/484523949.db2.gz LSMHWSGOBWSWSK-JTQLQIEISA-N -1 0 363.436 -0.808 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCC1(NS(C)(=O)=O)CCCCC1)C(=O)[O-] ZINC000655977915 484523939 /nfs/dbraw/zinc/52/39/39/484523939.db2.gz LSMHWSGOBWSWSK-SNVBAGLBSA-N -1 0 363.436 -0.808 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)[O-] ZINC000655978001 484523707 /nfs/dbraw/zinc/52/37/07/484523707.db2.gz NJKNFGKPWQKZSV-JTQLQIEISA-N -1 0 368.390 -0.806 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)[O-] ZINC000655978002 484523971 /nfs/dbraw/zinc/52/39/71/484523971.db2.gz NJKNFGKPWQKZSV-SNVBAGLBSA-N -1 0 368.390 -0.806 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCCNc1nccc(C(F)(F)F)n1)C(=O)[O-] ZINC000655978077 484524078 /nfs/dbraw/zinc/52/40/78/484524078.db2.gz NQBVVCGCANESJF-SSDOTTSWSA-N -1 0 363.296 -0.140 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCCNc1nccc(C(F)(F)F)n1)C(=O)[O-] ZINC000655978078 484523808 /nfs/dbraw/zinc/52/38/08/484523808.db2.gz NQBVVCGCANESJF-ZETCQYMHSA-N -1 0 363.296 -0.140 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@@H](C(C)C)N1CCOCC1)C(=O)[O-] ZINC000655978350 484525393 /nfs/dbraw/zinc/52/53/93/484525393.db2.gz RLIVEWFPVAQOIV-KBPBESRZSA-N -1 0 357.451 -0.068 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1)C(=O)[O-] ZINC000655978426 484525201 /nfs/dbraw/zinc/52/52/01/484525201.db2.gz RKADGLJNFCJADO-CYBMUJFWSA-N -1 0 355.435 -0.025 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1)C(=O)[O-] ZINC000655978427 484525347 /nfs/dbraw/zinc/52/53/47/484525347.db2.gz RKADGLJNFCJADO-ZDUSSCGKSA-N -1 0 355.435 -0.025 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)N1CCOCC1 ZINC000655978451 484525403 /nfs/dbraw/zinc/52/54/03/484525403.db2.gz RLIVEWFPVAQOIV-KGLIPLIRSA-N -1 0 357.451 -0.068 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@H](C(C)C)N1CCOCC1)C(=O)[O-] ZINC000655978452 484525033 /nfs/dbraw/zinc/52/50/33/484525033.db2.gz RLIVEWFPVAQOIV-UONOGXRCSA-N -1 0 357.451 -0.068 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)NC[C@H](C(C)C)N1CCOCC1)C(=O)[O-] ZINC000655978453 484524894 /nfs/dbraw/zinc/52/48/94/484524894.db2.gz RLIVEWFPVAQOIV-ZIAGYGMSSA-N -1 0 357.451 -0.068 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCc1ccnc(N2CCOCC2)c1)C(=O)[O-] ZINC000655978503 484525045 /nfs/dbraw/zinc/52/50/45/484525045.db2.gz SJVPFQFPZAJYLO-LLVKDONJSA-N -1 0 350.375 -0.629 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCc1ccnc(N2CCOCC2)c1)C(=O)[O-] ZINC000655978504 484525941 /nfs/dbraw/zinc/52/59/41/484525941.db2.gz SJVPFQFPZAJYLO-NSHDSACASA-N -1 0 350.375 -0.629 20 0 FBADRM Cc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1F ZINC000655978522 484525454 /nfs/dbraw/zinc/52/54/54/484525454.db2.gz SWURVPAZZBAKOM-JTQLQIEISA-N -1 0 353.350 -0.183 20 0 FBADRM Cc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1F ZINC000655978523 484525795 /nfs/dbraw/zinc/52/57/95/484525795.db2.gz SWURVPAZZBAKOM-SNVBAGLBSA-N -1 0 353.350 -0.183 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000655978524 484525687 /nfs/dbraw/zinc/52/56/87/484525687.db2.gz SZOHLXKBDBHXQC-LLVKDONJSA-N -1 0 371.415 -0.774 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000655978525 484525637 /nfs/dbraw/zinc/52/56/37/484525637.db2.gz SZOHLXKBDBHXQC-NSHDSACASA-N -1 0 371.415 -0.774 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000655978953 484524812 /nfs/dbraw/zinc/52/48/12/484524812.db2.gz XYEKGPJSAZQNEK-JTQLQIEISA-N -1 0 371.415 -0.811 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000655978954 484525127 /nfs/dbraw/zinc/52/51/27/484525127.db2.gz XYEKGPJSAZQNEK-SNVBAGLBSA-N -1 0 371.415 -0.811 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCc1cccnc1N1CCOCC1)C(=O)[O-] ZINC000655979136 484525513 /nfs/dbraw/zinc/52/55/13/484525513.db2.gz ADQUCKKCPDMMNG-LLVKDONJSA-N -1 0 350.375 -0.629 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCc1cccnc1N1CCOCC1)C(=O)[O-] ZINC000655979138 484524847 /nfs/dbraw/zinc/52/48/47/484524847.db2.gz ADQUCKKCPDMMNG-NSHDSACASA-N -1 0 350.375 -0.629 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000655979571 484525094 /nfs/dbraw/zinc/52/50/94/484525094.db2.gz IBQFISRJJSRCQA-SECBINFHSA-N -1 0 357.388 -0.952 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000655979572 484524780 /nfs/dbraw/zinc/52/47/80/484524780.db2.gz IBQFISRJJSRCQA-VIFPVBQESA-N -1 0 357.388 -0.952 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCCN1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000655979692 484524907 /nfs/dbraw/zinc/52/49/07/484524907.db2.gz KZXJEEIRYYNJIV-AWEZNQCLSA-N -1 0 362.430 -0.238 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCCN1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000655979693 484525927 /nfs/dbraw/zinc/52/59/27/484525927.db2.gz KZXJEEIRYYNJIV-CQSZACIVSA-N -1 0 362.430 -0.238 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1)C(=O)[O-] ZINC000655979911 484526686 /nfs/dbraw/zinc/52/66/86/484526686.db2.gz NRZUUXXSTLTAQV-NEPJUHHUSA-N -1 0 364.402 -0.240 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1)C(=O)[O-] ZINC000655979916 484526979 /nfs/dbraw/zinc/52/69/79/484526979.db2.gz NRZUUXXSTLTAQV-NWDGAFQWSA-N -1 0 364.402 -0.240 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1)C(=O)[O-] ZINC000655979917 484527420 /nfs/dbraw/zinc/52/74/20/484527420.db2.gz NRZUUXXSTLTAQV-RYUDHWBXSA-N -1 0 364.402 -0.240 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1)C(=O)[O-] ZINC000655979918 484527410 /nfs/dbraw/zinc/52/74/10/484527410.db2.gz NRZUUXXSTLTAQV-VXGBXAGGSA-N -1 0 364.402 -0.240 20 0 FBADRM COc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000655980479 484526911 /nfs/dbraw/zinc/52/69/11/484526911.db2.gz GGKCYHGJXIFPJI-JTQLQIEISA-N -1 0 351.359 -0.622 20 0 FBADRM COc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000655980480 484526625 /nfs/dbraw/zinc/52/66/25/484526625.db2.gz GGKCYHGJXIFPJI-SNVBAGLBSA-N -1 0 351.359 -0.622 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCNC(=O)c1cccnc1)C(=O)[O-] ZINC000655980553 484527363 /nfs/dbraw/zinc/52/73/63/484527363.db2.gz SUBJQRWIGPMKSZ-GFCCVEGCSA-N -1 0 350.375 -0.599 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)NCCNC(=O)c1cccnc1)C(=O)[O-] ZINC000655980554 484527356 /nfs/dbraw/zinc/52/73/56/484527356.db2.gz SUBJQRWIGPMKSZ-LBPRGKRZSA-N -1 0 350.375 -0.599 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655981583 484526862 /nfs/dbraw/zinc/52/68/62/484526862.db2.gz NAGLDAIBLGCTIR-LLVKDONJSA-N -1 0 365.452 -0.753 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655981584 484526923 /nfs/dbraw/zinc/52/69/23/484526923.db2.gz NAGLDAIBLGCTIR-NSHDSACASA-N -1 0 365.452 -0.753 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1)C(=O)[O-] ZINC000655981986 484526714 /nfs/dbraw/zinc/52/67/14/484526714.db2.gz QOXRYKMEGKSRNA-LLVKDONJSA-N -1 0 371.415 -0.941 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1)C(=O)[O-] ZINC000655981987 484527103 /nfs/dbraw/zinc/52/71/03/484527103.db2.gz QOXRYKMEGKSRNA-NSHDSACASA-N -1 0 371.415 -0.941 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)NCc1cccc(OCC(N)=O)c1)C(=O)[O-] ZINC000655982166 484526489 /nfs/dbraw/zinc/52/64/89/484526489.db2.gz UQGDGFKRHPQGBY-CYBMUJFWSA-N -1 0 365.386 -0.360 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)NCc1cccc(OCC(N)=O)c1)C(=O)[O-] ZINC000655982167 484527237 /nfs/dbraw/zinc/52/72/37/484527237.db2.gz UQGDGFKRHPQGBY-ZDUSSCGKSA-N -1 0 365.386 -0.360 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-] ZINC000655982256 484526763 /nfs/dbraw/zinc/52/67/63/484526763.db2.gz UTYZFFFAOMWILO-JTQLQIEISA-N -1 0 371.415 -0.610 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-] ZINC000655982257 484526456 /nfs/dbraw/zinc/52/64/56/484526456.db2.gz UTYZFFFAOMWILO-SNVBAGLBSA-N -1 0 371.415 -0.610 20 0 FBADRM C[C@H](NC(=O)C(=O)NCCCS(C)(=O)=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655982440 484526836 /nfs/dbraw/zinc/52/68/36/484526836.db2.gz WGTNYMKUBDYPAS-GARJFASQSA-N -1 0 362.448 -0.211 20 0 FBADRM C[C@@H](NC(=O)C(=O)NCCCS(C)(=O)=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655982443 484526754 /nfs/dbraw/zinc/52/67/54/484526754.db2.gz WGTNYMKUBDYPAS-OUAUKWLOSA-N -1 0 362.448 -0.211 20 0 FBADRM CCNC(=O)COc1cccc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000655982474 484526515 /nfs/dbraw/zinc/52/65/15/484526515.db2.gz WLZXLFNFARHEGX-LLVKDONJSA-N -1 0 365.386 -0.345 20 0 FBADRM CCNC(=O)COc1cccc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000655982475 484527277 /nfs/dbraw/zinc/52/72/77/484527277.db2.gz WLZXLFNFARHEGX-NSHDSACASA-N -1 0 365.386 -0.345 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)C(=O)[O-] ZINC000655982548 484526467 /nfs/dbraw/zinc/52/64/67/484526467.db2.gz WKRUYXAKRZVIRD-JTQLQIEISA-N -1 0 365.452 -0.707 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)C(=O)[O-] ZINC000655982549 484526871 /nfs/dbraw/zinc/52/68/71/484526871.db2.gz WKRUYXAKRZVIRD-SNVBAGLBSA-N -1 0 365.452 -0.707 20 0 FBADRM CCN(CCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)S(C)(=O)=O ZINC000655982670 484527261 /nfs/dbraw/zinc/52/72/61/484527261.db2.gz ZEQBZCKKUYJGHX-LLVKDONJSA-N -1 0 365.452 -0.753 20 0 FBADRM CCN(CCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)S(C)(=O)=O ZINC000655982672 484527178 /nfs/dbraw/zinc/52/71/78/484527178.db2.gz ZEQBZCKKUYJGHX-NSHDSACASA-N -1 0 365.452 -0.753 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCCCS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000655982966 484527257 /nfs/dbraw/zinc/52/72/57/484527257.db2.gz BYCYXVNAMZBOCM-LLVKDONJSA-N -1 0 356.400 -0.197 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCCCS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000655982967 484527193 /nfs/dbraw/zinc/52/71/93/484527193.db2.gz BYCYXVNAMZBOCM-NSHDSACASA-N -1 0 356.400 -0.197 20 0 FBADRM COc1ccc(-c2nnc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])[nH]2)cc1 ZINC000655983486 484527122 /nfs/dbraw/zinc/52/71/22/484527122.db2.gz CVMCXOSMWCVIPB-SECBINFHSA-N -1 0 361.358 -0.067 20 0 FBADRM COc1ccc(-c2nnc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])[nH]2)cc1 ZINC000655983487 484526891 /nfs/dbraw/zinc/52/68/91/484526891.db2.gz CVMCXOSMWCVIPB-VIFPVBQESA-N -1 0 361.358 -0.067 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCCCc1nnc2n1CCCCC2)C(=O)[O-] ZINC000655983506 484527271 /nfs/dbraw/zinc/52/72/71/484527271.db2.gz DBOXYJVYIXJGKS-LLVKDONJSA-N -1 0 351.407 -0.110 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCCCc1nnc2n1CCCCC2)C(=O)[O-] ZINC000655983507 484527242 /nfs/dbraw/zinc/52/72/42/484527242.db2.gz DBOXYJVYIXJGKS-NSHDSACASA-N -1 0 351.407 -0.110 20 0 FBADRM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000655983735 484528110 /nfs/dbraw/zinc/52/81/10/484528110.db2.gz GIEIYANLWQSEJJ-NXEZZACHSA-N -1 0 371.415 -0.391 20 0 FBADRM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000655983736 484528616 /nfs/dbraw/zinc/52/86/16/484528616.db2.gz GIEIYANLWQSEJJ-UWVGGRQHSA-N -1 0 371.415 -0.391 20 0 FBADRM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000655983737 484527997 /nfs/dbraw/zinc/52/79/97/484527997.db2.gz GIEIYANLWQSEJJ-VHSXEESVSA-N -1 0 371.415 -0.391 20 0 FBADRM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000655983738 484528637 /nfs/dbraw/zinc/52/86/37/484528637.db2.gz GIEIYANLWQSEJJ-ZJUUUORDSA-N -1 0 371.415 -0.391 20 0 FBADRM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000655983989 484527979 /nfs/dbraw/zinc/52/79/79/484527979.db2.gz PYZFYDIHZPHNAX-NXEZZACHSA-N -1 0 371.415 -0.391 20 0 FBADRM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000655983990 484527836 /nfs/dbraw/zinc/52/78/36/484527836.db2.gz PYZFYDIHZPHNAX-UWVGGRQHSA-N -1 0 371.415 -0.391 20 0 FBADRM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000655983991 484527959 /nfs/dbraw/zinc/52/79/59/484527959.db2.gz PYZFYDIHZPHNAX-VHSXEESVSA-N -1 0 371.415 -0.391 20 0 FBADRM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000655983992 484528563 /nfs/dbraw/zinc/52/85/63/484528563.db2.gz PYZFYDIHZPHNAX-ZJUUUORDSA-N -1 0 371.415 -0.391 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1)C(=O)[O-] ZINC000655984085 484528476 /nfs/dbraw/zinc/52/84/76/484528476.db2.gz JXADSGRYBNPVHQ-LLVKDONJSA-N -1 0 350.375 -0.964 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1)C(=O)[O-] ZINC000655984086 484528222 /nfs/dbraw/zinc/52/82/22/484528222.db2.gz JXADSGRYBNPVHQ-NSHDSACASA-N -1 0 350.375 -0.964 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1)C(=O)[O-] ZINC000655984404 484528310 /nfs/dbraw/zinc/52/83/10/484528310.db2.gz UYCKBXDZBJWOGO-JTQLQIEISA-N -1 0 353.350 -0.563 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1)C(=O)[O-] ZINC000655984405 484528389 /nfs/dbraw/zinc/52/83/89/484528389.db2.gz UYCKBXDZBJWOGO-SNVBAGLBSA-N -1 0 353.350 -0.563 20 0 FBADRM CC(=O)Nc1cccc(OCCNC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000655984512 484527858 /nfs/dbraw/zinc/52/78/58/484527858.db2.gz PIRLSJRXZSFLGT-JTQLQIEISA-N -1 0 351.359 -0.023 20 0 FBADRM CC(=O)Nc1cccc(OCCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000655984513 484528462 /nfs/dbraw/zinc/52/84/62/484528462.db2.gz PIRLSJRXZSFLGT-SNVBAGLBSA-N -1 0 351.359 -0.023 20 0 FBADRM CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000655985270 484527882 /nfs/dbraw/zinc/52/78/82/484527882.db2.gz WHPGMCNDRMUEQI-BXKDBHETSA-N -1 0 371.415 -0.262 20 0 FBADRM CC[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000655985271 484528404 /nfs/dbraw/zinc/52/84/04/484528404.db2.gz WHPGMCNDRMUEQI-CABZTGNLSA-N -1 0 371.415 -0.262 20 0 FBADRM CC[C@@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000655985272 484528597 /nfs/dbraw/zinc/52/85/97/484528597.db2.gz WHPGMCNDRMUEQI-JOYOIKCWSA-N -1 0 371.415 -0.262 20 0 FBADRM CC[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000655985273 484527797 /nfs/dbraw/zinc/52/77/97/484527797.db2.gz WHPGMCNDRMUEQI-SKDRFNHKSA-N -1 0 371.415 -0.262 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCc1cccc(N2CCOCC2)n1)C(=O)[O-] ZINC000655985631 484528496 /nfs/dbraw/zinc/52/84/96/484528496.db2.gz AFGJLXAWFSYOON-LLVKDONJSA-N -1 0 350.375 -0.629 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCc1cccc(N2CCOCC2)n1)C(=O)[O-] ZINC000655985632 484528591 /nfs/dbraw/zinc/52/85/91/484528591.db2.gz AFGJLXAWFSYOON-NSHDSACASA-N -1 0 350.375 -0.629 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCCCNC(=O)c1cccc(F)c1)C(=O)[O-] ZINC000655985849 484528316 /nfs/dbraw/zinc/52/83/16/484528316.db2.gz DAROZXYDWBBARH-JTQLQIEISA-N -1 0 353.350 -0.101 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCCCNC(=O)c1cccc(F)c1)C(=O)[O-] ZINC000655985850 484528444 /nfs/dbraw/zinc/52/84/44/484528444.db2.gz DAROZXYDWBBARH-SNVBAGLBSA-N -1 0 353.350 -0.101 20 0 FBADRM C[C@H](NC(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655986378 484528302 /nfs/dbraw/zinc/52/83/02/484528302.db2.gz CWLOTXYQXZTISX-FIQHERPVSA-N -1 0 374.459 -0.069 20 0 FBADRM C[C@@H](NC(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655986380 484528006 /nfs/dbraw/zinc/52/80/06/484528006.db2.gz CWLOTXYQXZTISX-NOOOWODRSA-N -1 0 374.459 -0.069 20 0 FBADRM C[C@H](NC(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655986382 484528021 /nfs/dbraw/zinc/52/80/21/484528021.db2.gz CWLOTXYQXZTISX-WHOHXGKFSA-N -1 0 374.459 -0.069 20 0 FBADRM C[C@@H](NC(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655986384 484528288 /nfs/dbraw/zinc/52/82/88/484528288.db2.gz CWLOTXYQXZTISX-WISYIIOYSA-N -1 0 374.459 -0.069 20 0 FBADRM CCS(=O)(=O)c1ccc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000655986402 484528470 /nfs/dbraw/zinc/52/84/70/484528470.db2.gz DBJQYPKVWCUGLD-JTQLQIEISA-N -1 0 356.400 -0.067 20 0 FBADRM CCS(=O)(=O)c1ccc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000655986404 484528530 /nfs/dbraw/zinc/52/85/30/484528530.db2.gz DBJQYPKVWCUGLD-SNVBAGLBSA-N -1 0 356.400 -0.067 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)C(=O)[O-] ZINC000655986600 484528279 /nfs/dbraw/zinc/52/82/79/484528279.db2.gz GKFYFCWORGKFAQ-GXTWGEPZSA-N -1 0 365.434 -0.022 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)C(=O)[O-] ZINC000655986605 484528061 /nfs/dbraw/zinc/52/80/61/484528061.db2.gz GKFYFCWORGKFAQ-JSGCOSHPSA-N -1 0 365.434 -0.022 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)C(=O)[O-] ZINC000655986607 484528569 /nfs/dbraw/zinc/52/85/69/484528569.db2.gz GKFYFCWORGKFAQ-OCCSQVGLSA-N -1 0 365.434 -0.022 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)C(=O)[O-] ZINC000655986609 484528101 /nfs/dbraw/zinc/52/81/01/484528101.db2.gz GKFYFCWORGKFAQ-TZMCWYRMSA-N -1 0 365.434 -0.022 20 0 FBADRM C[C@@H](NC(=O)C(=O)NCC(=O)N1CCOCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655986726 484528397 /nfs/dbraw/zinc/52/83/97/484528397.db2.gz HFXQHFOPNKGOIO-GRYCIOLGSA-N -1 0 369.418 -0.787 20 0 FBADRM C[C@H](NC(=O)C(=O)NCC(=O)N1CCOCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655986729 484528211 /nfs/dbraw/zinc/52/82/11/484528211.db2.gz HFXQHFOPNKGOIO-SDDRHHMPSA-N -1 0 369.418 -0.787 20 0 FBADRM C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)C(=O)[O-] ZINC000655986942 484527969 /nfs/dbraw/zinc/52/79/69/484527969.db2.gz INNMAZSSAINPLO-GHMZBOCLSA-N -1 0 362.386 -0.683 20 0 FBADRM C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)C(=O)[O-] ZINC000655986944 484528271 /nfs/dbraw/zinc/52/82/71/484528271.db2.gz INNMAZSSAINPLO-MNOVXSKESA-N -1 0 362.386 -0.683 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)C(=O)[O-] ZINC000655986949 484528053 /nfs/dbraw/zinc/52/80/53/484528053.db2.gz INNMAZSSAINPLO-QWRGUYRKSA-N -1 0 362.386 -0.683 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)C(=O)[O-] ZINC000655986951 484528132 /nfs/dbraw/zinc/52/81/32/484528132.db2.gz INNMAZSSAINPLO-WDEREUQCSA-N -1 0 362.386 -0.683 20 0 FBADRM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655986974 484527952 /nfs/dbraw/zinc/52/79/52/484527952.db2.gz ISGAAUJZPOTIGZ-CHWFTXMASA-N -1 0 362.448 -0.213 20 0 FBADRM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655986977 484527854 /nfs/dbraw/zinc/52/78/54/484527854.db2.gz ISGAAUJZPOTIGZ-VPOLOUISSA-N -1 0 362.448 -0.213 20 0 FBADRM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655986979 484527947 /nfs/dbraw/zinc/52/79/47/484527947.db2.gz ISGAAUJZPOTIGZ-XWLWVQCSSA-N -1 0 362.448 -0.213 20 0 FBADRM C[C@@H](NC(=O)C(=O)N[C@@H](C)CS(C)(=O)=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655986982 484527845 /nfs/dbraw/zinc/52/78/45/484527845.db2.gz ISGAAUJZPOTIGZ-ZRUFSTJUSA-N -1 0 362.448 -0.213 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCCCN1C(=O)COc2ccccc21)C(=O)[O-] ZINC000655987082 484527785 /nfs/dbraw/zinc/52/77/85/484527785.db2.gz IOXXZEJMSBOXRW-LLVKDONJSA-N -1 0 363.370 -0.245 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCCCN1C(=O)COc2ccccc21)C(=O)[O-] ZINC000655987083 484528335 /nfs/dbraw/zinc/52/83/35/484528335.db2.gz IOXXZEJMSBOXRW-NSHDSACASA-N -1 0 363.370 -0.245 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)[O-] ZINC000655987660 484528239 /nfs/dbraw/zinc/52/82/39/484528239.db2.gz ONTPJWPXJNAIJS-JTQLQIEISA-N -1 0 371.415 -0.465 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)[O-] ZINC000655987661 484529816 /nfs/dbraw/zinc/52/98/16/484529816.db2.gz ONTPJWPXJNAIJS-SNVBAGLBSA-N -1 0 371.415 -0.465 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)C(=O)[O-] ZINC000655987805 484529722 /nfs/dbraw/zinc/52/97/22/484529722.db2.gz NJENYLQMRMOWPT-BDAKNGLRSA-N -1 0 367.324 -0.261 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)[O-] ZINC000655987806 484529712 /nfs/dbraw/zinc/52/97/12/484529712.db2.gz NJENYLQMRMOWPT-DTWKUNHWSA-N -1 0 367.324 -0.261 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)C(=O)[O-] ZINC000655987807 484529773 /nfs/dbraw/zinc/52/97/73/484529773.db2.gz NJENYLQMRMOWPT-IUCAKERBSA-N -1 0 367.324 -0.261 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)[O-] ZINC000655987808 484529667 /nfs/dbraw/zinc/52/96/67/484529667.db2.gz NJENYLQMRMOWPT-RKDXNWHRSA-N -1 0 367.324 -0.261 20 0 FBADRM C[C@H](NC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655987814 484529823 /nfs/dbraw/zinc/52/98/23/484529823.db2.gz NLZRMSBVUXUAKX-FIQHERPVSA-N -1 0 353.419 -0.025 20 0 FBADRM C[C@@H](NC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655987815 484529747 /nfs/dbraw/zinc/52/97/47/484529747.db2.gz NLZRMSBVUXUAKX-NOOOWODRSA-N -1 0 353.419 -0.025 20 0 FBADRM C[C@H](NC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655987816 484529053 /nfs/dbraw/zinc/52/90/53/484529053.db2.gz NLZRMSBVUXUAKX-WHOHXGKFSA-N -1 0 353.419 -0.025 20 0 FBADRM C[C@@H](NC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655987817 484529334 /nfs/dbraw/zinc/52/93/34/484529334.db2.gz NLZRMSBVUXUAKX-WISYIIOYSA-N -1 0 353.419 -0.025 20 0 FBADRM CCc1cc(N2CCC[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C2)ncn1 ZINC000655987832 484529210 /nfs/dbraw/zinc/52/92/10/484529210.db2.gz NULLWYOGZFUXHA-AAEUAGOBSA-N -1 0 363.418 -0.039 20 0 FBADRM CCc1cc(N2CCC[C@@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C2)ncn1 ZINC000655987833 484529753 /nfs/dbraw/zinc/52/97/53/484529753.db2.gz NULLWYOGZFUXHA-DGCLKSJQSA-N -1 0 363.418 -0.039 20 0 FBADRM CCc1cc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C2)ncn1 ZINC000655987834 484529182 /nfs/dbraw/zinc/52/91/82/484529182.db2.gz NULLWYOGZFUXHA-WCQYABFASA-N -1 0 363.418 -0.039 20 0 FBADRM CCc1cc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C2)ncn1 ZINC000655987835 484529176 /nfs/dbraw/zinc/52/91/76/484529176.db2.gz NULLWYOGZFUXHA-YPMHNXCESA-N -1 0 363.418 -0.039 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCCCNC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000655987921 484529234 /nfs/dbraw/zinc/52/92/34/484529234.db2.gz PRKWNCWTNMSSDT-JTQLQIEISA-N -1 0 353.350 -0.101 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCCCNC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000655987922 484529145 /nfs/dbraw/zinc/52/91/45/484529145.db2.gz PRKWNCWTNMSSDT-SNVBAGLBSA-N -1 0 353.350 -0.101 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000655987937 484529680 /nfs/dbraw/zinc/52/96/80/484529680.db2.gz QAWHRQUCSOZHCZ-JTQLQIEISA-N -1 0 372.399 -0.578 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000655987938 484529728 /nfs/dbraw/zinc/52/97/28/484529728.db2.gz QAWHRQUCSOZHCZ-SNVBAGLBSA-N -1 0 372.399 -0.578 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC000655988036 484529732 /nfs/dbraw/zinc/52/97/32/484529732.db2.gz QBMRYZFXRBIOFW-SRVKXCTJSA-N -1 0 362.448 -0.069 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC000655988037 484529359 /nfs/dbraw/zinc/52/93/59/484529359.db2.gz QBMRYZFXRBIOFW-TUAOUCFPSA-N -1 0 362.448 -0.069 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC000655988038 484529075 /nfs/dbraw/zinc/52/90/75/484529075.db2.gz QBMRYZFXRBIOFW-UTUOFQBUSA-N -1 0 362.448 -0.069 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC000655988039 484529837 /nfs/dbraw/zinc/52/98/37/484529837.db2.gz QBMRYZFXRBIOFW-WOPDTQHZSA-N -1 0 362.448 -0.069 20 0 FBADRM C[C@H](NC(=O)C(=O)NCCN1C(=O)CCC1=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655988711 484529350 /nfs/dbraw/zinc/52/93/50/484529350.db2.gz SYOZWUYFUXCLNO-GARJFASQSA-N -1 0 367.402 -0.497 20 0 FBADRM C[C@@H](NC(=O)C(=O)NCCN1C(=O)CCC1=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655988715 484529225 /nfs/dbraw/zinc/52/92/25/484529225.db2.gz SYOZWUYFUXCLNO-OUAUKWLOSA-N -1 0 367.402 -0.497 20 0 FBADRM C[C@@H](NC(=O)C(=O)N[C@H]1CCCN(C)C1=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655988801 484529700 /nfs/dbraw/zinc/52/97/00/484529700.db2.gz UZVLGHNMVCQOOR-KXNHARMFSA-N -1 0 353.419 -0.025 20 0 FBADRM C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(C)C1=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655988930 484529803 /nfs/dbraw/zinc/52/98/03/484529803.db2.gz UZVLGHNMVCQOOR-NNYUYHANSA-N -1 0 353.419 -0.025 20 0 FBADRM C[C@@H](NC(=O)C(=O)N[C@@H]1CCCN(C)C1=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655988932 484528980 /nfs/dbraw/zinc/52/89/80/484528980.db2.gz UZVLGHNMVCQOOR-WRWGMCAJSA-N -1 0 353.419 -0.025 20 0 FBADRM C[C@H](NC(=O)C(=O)N[C@H]1CCCN(C)C1=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655988933 484529025 /nfs/dbraw/zinc/52/90/25/484529025.db2.gz UZVLGHNMVCQOOR-YFKTTZPYSA-N -1 0 353.419 -0.025 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000655989163 484529707 /nfs/dbraw/zinc/52/97/07/484529707.db2.gz YEZJCTUCMGDJSL-NEPJUHHUSA-N -1 0 365.390 -0.885 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000655989164 484529203 /nfs/dbraw/zinc/52/92/03/484529203.db2.gz YEZJCTUCMGDJSL-NWDGAFQWSA-N -1 0 365.390 -0.885 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000655989165 484529764 /nfs/dbraw/zinc/52/97/64/484529764.db2.gz YEZJCTUCMGDJSL-RYUDHWBXSA-N -1 0 365.390 -0.885 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000655989166 484529338 /nfs/dbraw/zinc/52/93/38/484529338.db2.gz YEZJCTUCMGDJSL-VXGBXAGGSA-N -1 0 365.390 -0.885 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)C(=O)[O-] ZINC000655989258 484528952 /nfs/dbraw/zinc/52/89/52/484528952.db2.gz XCSYUUMTQDCTQJ-GXSJLCMTSA-N -1 0 351.334 -0.116 20 0 FBADRM C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O)C(=O)[O-] ZINC000655989264 484528997 /nfs/dbraw/zinc/52/89/97/484528997.db2.gz XCSYUUMTQDCTQJ-KOLCDFICSA-N -1 0 351.334 -0.116 20 0 FBADRM C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)C(=O)[O-] ZINC000655989266 484529830 /nfs/dbraw/zinc/52/98/30/484529830.db2.gz XCSYUUMTQDCTQJ-MWLCHTKSSA-N -1 0 351.334 -0.116 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O)C(=O)[O-] ZINC000655989269 484529809 /nfs/dbraw/zinc/52/98/09/484529809.db2.gz XCSYUUMTQDCTQJ-ONGXEEELSA-N -1 0 351.334 -0.116 20 0 FBADRM C[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)S(C)(=O)=O ZINC000655989514 484528991 /nfs/dbraw/zinc/52/89/91/484528991.db2.gz ZGTWYNUWJNRFHC-CHWFTXMASA-N -1 0 362.448 -0.213 20 0 FBADRM C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)S(C)(=O)=O ZINC000655989515 484529695 /nfs/dbraw/zinc/52/96/95/484529695.db2.gz ZGTWYNUWJNRFHC-VPOLOUISSA-N -1 0 362.448 -0.213 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)S(C)(=O)=O ZINC000655989516 484529444 /nfs/dbraw/zinc/52/94/44/484529444.db2.gz ZGTWYNUWJNRFHC-XWLWVQCSSA-N -1 0 362.448 -0.213 20 0 FBADRM C[C@@H](NC(=O)C(=O)NC[C@H](C)S(C)(=O)=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655989517 484529543 /nfs/dbraw/zinc/52/95/43/484529543.db2.gz ZGTWYNUWJNRFHC-ZRUFSTJUSA-N -1 0 362.448 -0.213 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCCNC(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000655989541 484529114 /nfs/dbraw/zinc/52/91/14/484529114.db2.gz ZTEZNHQCWMDRES-MRVPVSSYSA-N -1 0 357.313 -0.352 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCCNC(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000655989542 484528925 /nfs/dbraw/zinc/52/89/25/484528925.db2.gz ZTEZNHQCWMDRES-QMMMGPOBSA-N -1 0 357.313 -0.352 20 0 FBADRM C[C@@H](NC(=O)C(=O)NCc1nnnn1C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655990032 484529413 /nfs/dbraw/zinc/52/94/13/484529413.db2.gz HDQVEBLOKJBWCG-DVVUODLYSA-N -1 0 364.406 -0.124 20 0 FBADRM C[C@H](NC(=O)C(=O)NCc1nnnn1C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655990033 484529474 /nfs/dbraw/zinc/52/94/74/484529474.db2.gz HDQVEBLOKJBWCG-INTQDDNPSA-N -1 0 364.406 -0.124 20 0 FBADRM CCc1cc(N2CCC(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC2)ncn1 ZINC000655990581 484529609 /nfs/dbraw/zinc/52/96/09/484529609.db2.gz FWHYVQASNXVYQP-LLVKDONJSA-N -1 0 363.418 -0.039 20 0 FBADRM CCc1cc(N2CCC(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])CC2)ncn1 ZINC000655990582 484529106 /nfs/dbraw/zinc/52/91/06/484529106.db2.gz FWHYVQASNXVYQP-NSHDSACASA-N -1 0 363.418 -0.039 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)C(=O)[O-] ZINC000655990805 484529383 /nfs/dbraw/zinc/52/93/83/484529383.db2.gz HXKFBOBQIVDEEV-GWCFXTLKSA-N -1 0 365.361 -0.120 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)C(=O)[O-] ZINC000655990806 484528932 /nfs/dbraw/zinc/52/89/32/484528932.db2.gz HXKFBOBQIVDEEV-GXFFZTMASA-N -1 0 365.361 -0.120 20 0 FBADRM C[C@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)C(=O)[O-] ZINC000655990807 484529016 /nfs/dbraw/zinc/52/90/16/484529016.db2.gz HXKFBOBQIVDEEV-MFKMUULPSA-N -1 0 365.361 -0.120 20 0 FBADRM C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)C(=O)[O-] ZINC000655990808 484528940 /nfs/dbraw/zinc/52/89/40/484528940.db2.gz HXKFBOBQIVDEEV-ZWNOBZJWSA-N -1 0 365.361 -0.120 20 0 FBADRM CC[C@H](NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C(=O)N1CCOCC1 ZINC000655990868 484529330 /nfs/dbraw/zinc/52/93/30/484529330.db2.gz QELCDEOQSJUEKB-NEPJUHHUSA-N -1 0 357.407 -0.787 20 0 FBADRM CC[C@@H](NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C(=O)N1CCOCC1 ZINC000655990869 484529406 /nfs/dbraw/zinc/52/94/06/484529406.db2.gz QELCDEOQSJUEKB-NWDGAFQWSA-N -1 0 357.407 -0.787 20 0 FBADRM CC[C@H](NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C(=O)N1CCOCC1 ZINC000655990870 484529291 /nfs/dbraw/zinc/52/92/91/484529291.db2.gz QELCDEOQSJUEKB-RYUDHWBXSA-N -1 0 357.407 -0.787 20 0 FBADRM CC[C@@H](NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C(=O)N1CCOCC1 ZINC000655990871 484529550 /nfs/dbraw/zinc/52/95/50/484529550.db2.gz QELCDEOQSJUEKB-VXGBXAGGSA-N -1 0 357.407 -0.787 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655991125 484529782 /nfs/dbraw/zinc/52/97/82/484529782.db2.gz SAKQBTUWKDOBIU-FRRDWIJNSA-N -1 0 360.407 -0.604 20 0 FBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655991126 484529560 /nfs/dbraw/zinc/52/95/60/484529560.db2.gz SAKQBTUWKDOBIU-JHJVBQTASA-N -1 0 360.407 -0.604 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655991127 484529604 /nfs/dbraw/zinc/52/96/04/484529604.db2.gz SAKQBTUWKDOBIU-RWMBFGLXSA-N -1 0 360.407 -0.604 20 0 FBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655991128 484529716 /nfs/dbraw/zinc/52/97/16/484529716.db2.gz SAKQBTUWKDOBIU-YNEHKIRRSA-N -1 0 360.407 -0.604 20 0 FBADRM C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O)C(=O)[O-] ZINC000655991154 484529595 /nfs/dbraw/zinc/52/95/95/484529595.db2.gz KASCHFBBPHFHOH-HTQZYQBOSA-N -1 0 353.297 -0.507 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O)C(=O)[O-] ZINC000655991155 484529740 /nfs/dbraw/zinc/52/97/40/484529740.db2.gz KASCHFBBPHFHOH-JGVFFNPUSA-N -1 0 353.297 -0.507 20 0 FBADRM C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O)C(=O)[O-] ZINC000655991156 484529192 /nfs/dbraw/zinc/52/91/92/484529192.db2.gz KASCHFBBPHFHOH-SFYZADRCSA-N -1 0 353.297 -0.507 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O)C(=O)[O-] ZINC000655991157 484529535 /nfs/dbraw/zinc/52/95/35/484529535.db2.gz KASCHFBBPHFHOH-YUMQZZPRSA-N -1 0 353.297 -0.507 20 0 FBADRM COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1=O ZINC000655991884 484530351 /nfs/dbraw/zinc/53/03/51/484530351.db2.gz PHFXQERMWCCGJN-GHMZBOCLSA-N -1 0 363.370 -0.246 20 0 FBADRM COc1ccccc1N1CC[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1=O ZINC000655991885 484530548 /nfs/dbraw/zinc/53/05/48/484530548.db2.gz PHFXQERMWCCGJN-MNOVXSKESA-N -1 0 363.370 -0.246 20 0 FBADRM COc1ccccc1N1CC[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C1=O ZINC000655991886 484530520 /nfs/dbraw/zinc/53/05/20/484530520.db2.gz PHFXQERMWCCGJN-QWRGUYRKSA-N -1 0 363.370 -0.246 20 0 FBADRM COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C1=O ZINC000655991887 484530341 /nfs/dbraw/zinc/53/03/41/484530341.db2.gz PHFXQERMWCCGJN-WDEREUQCSA-N -1 0 363.370 -0.246 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O)C(=O)[O-] ZINC000655992071 484530397 /nfs/dbraw/zinc/53/03/97/484530397.db2.gz SYDYKAUQRHMVQA-AAEUAGOBSA-N -1 0 362.386 -0.474 20 0 FBADRM C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O)C(=O)[O-] ZINC000655992072 484531253 /nfs/dbraw/zinc/53/12/53/484531253.db2.gz SYDYKAUQRHMVQA-DGCLKSJQSA-N -1 0 362.386 -0.474 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O)C(=O)[O-] ZINC000655992073 484530462 /nfs/dbraw/zinc/53/04/62/484530462.db2.gz SYDYKAUQRHMVQA-WCQYABFASA-N -1 0 362.386 -0.474 20 0 FBADRM C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O)C(=O)[O-] ZINC000655992074 484530924 /nfs/dbraw/zinc/53/09/24/484530924.db2.gz SYDYKAUQRHMVQA-YPMHNXCESA-N -1 0 362.386 -0.474 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCC1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000655992875 484530887 /nfs/dbraw/zinc/53/08/87/484530887.db2.gz IVVZWZUGSXHKKO-GFCCVEGCSA-N -1 0 362.448 -0.210 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)NCCC1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000655992876 484530674 /nfs/dbraw/zinc/53/06/74/484530674.db2.gz IVVZWZUGSXHKKO-LBPRGKRZSA-N -1 0 362.448 -0.210 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1)C(=O)[O-] ZINC000655992970 484530359 /nfs/dbraw/zinc/53/03/59/484530359.db2.gz CEZRYIYTHSNWNR-JTQLQIEISA-N -1 0 368.365 -0.490 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1)C(=O)[O-] ZINC000655992971 484530736 /nfs/dbraw/zinc/53/07/36/484530736.db2.gz CEZRYIYTHSNWNR-SNVBAGLBSA-N -1 0 368.365 -0.490 20 0 FBADRM COCCC(=O)N1CCC(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000655993089 484530382 /nfs/dbraw/zinc/53/03/82/484530382.db2.gz KWFAHLJZKRFUHY-CYBMUJFWSA-N -1 0 371.434 -0.397 20 0 FBADRM COCCC(=O)N1CCC(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1 ZINC000655993095 484531114 /nfs/dbraw/zinc/53/11/14/484531114.db2.gz KWFAHLJZKRFUHY-ZDUSSCGKSA-N -1 0 371.434 -0.397 20 0 FBADRM C[C@H](NC(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655993113 484531201 /nfs/dbraw/zinc/53/12/01/484531201.db2.gz CVNGKZXMXHHESW-KKJSVHSVSA-N -1 0 369.418 -0.613 20 0 FBADRM C[C@H](NC(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655993114 484530655 /nfs/dbraw/zinc/53/06/55/484530655.db2.gz CVNGKZXMXHHESW-MJDLHHQISA-N -1 0 369.418 -0.613 20 0 FBADRM C[C@H](NC(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655993115 484530936 /nfs/dbraw/zinc/53/09/36/484530936.db2.gz CVNGKZXMXHHESW-NGDQXYMTSA-N -1 0 369.418 -0.613 20 0 FBADRM C[C@H](NC(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655993116 484531016 /nfs/dbraw/zinc/53/10/16/484531016.db2.gz CVNGKZXMXHHESW-RNWYCLNJSA-N -1 0 369.418 -0.613 20 0 FBADRM C[C@H](NC(=O)C(=O)NCC1(S(C)(=O)=O)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655993595 484532824 /nfs/dbraw/zinc/53/28/24/484532824.db2.gz HRBPUCDEKNEZMB-GARJFASQSA-N -1 0 374.459 -0.069 20 0 FBADRM C[C@@H](NC(=O)C(=O)NCC1(S(C)(=O)=O)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655993596 484532399 /nfs/dbraw/zinc/53/23/99/484532399.db2.gz HRBPUCDEKNEZMB-OUAUKWLOSA-N -1 0 374.459 -0.069 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC000655993836 484530802 /nfs/dbraw/zinc/53/08/02/484530802.db2.gz KANFDYWRVOBWKR-GRYCIOLGSA-N -1 0 357.407 -0.789 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC000655993837 484530314 /nfs/dbraw/zinc/53/03/14/484530314.db2.gz KANFDYWRVOBWKR-SDDRHHMPSA-N -1 0 357.407 -0.789 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC000655993838 484531278 /nfs/dbraw/zinc/53/12/78/484531278.db2.gz KANFDYWRVOBWKR-SRVKXCTJSA-N -1 0 357.407 -0.789 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC000655993839 484530470 /nfs/dbraw/zinc/53/04/70/484530470.db2.gz KANFDYWRVOBWKR-WOPDTQHZSA-N -1 0 357.407 -0.789 20 0 FBADRM C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655994386 484532234 /nfs/dbraw/zinc/53/22/34/484532234.db2.gz QEBDYRPFMWPXCB-GHMZBOCLSA-N -1 0 360.370 -0.262 20 0 FBADRM C[C@H](CNC(=O)C(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O)C(=O)[O-] ZINC000655994389 484532664 /nfs/dbraw/zinc/53/26/64/484532664.db2.gz QEBDYRPFMWPXCB-MNOVXSKESA-N -1 0 360.370 -0.262 20 0 FBADRM C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655994391 484531801 /nfs/dbraw/zinc/53/18/01/484531801.db2.gz QEBDYRPFMWPXCB-QWRGUYRKSA-N -1 0 360.370 -0.262 20 0 FBADRM C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655994393 484532655 /nfs/dbraw/zinc/53/26/55/484532655.db2.gz QEBDYRPFMWPXCB-WDEREUQCSA-N -1 0 360.370 -0.262 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)CCS2(=O)=O)C(=O)[O-] ZINC000655994497 484532391 /nfs/dbraw/zinc/53/23/91/484532391.db2.gz VFZAXBXFUUJMAQ-SECBINFHSA-N -1 0 354.384 -0.531 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)CCS2(=O)=O)C(=O)[O-] ZINC000655994498 484532517 /nfs/dbraw/zinc/53/25/17/484532517.db2.gz VFZAXBXFUUJMAQ-VIFPVBQESA-N -1 0 354.384 -0.531 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000655994608 484532459 /nfs/dbraw/zinc/53/24/59/484532459.db2.gz TYGGPRLBEABZQQ-GXTWGEPZSA-N -1 0 361.398 -0.012 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000655994609 484532525 /nfs/dbraw/zinc/53/25/25/484532525.db2.gz TYGGPRLBEABZQQ-JSGCOSHPSA-N -1 0 361.398 -0.012 20 0 FBADRM C[C@H](CNC(=O)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000655994610 484532490 /nfs/dbraw/zinc/53/24/90/484532490.db2.gz TYGGPRLBEABZQQ-OCCSQVGLSA-N -1 0 361.398 -0.012 20 0 FBADRM C[C@H](CNC(=O)C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000655994611 484532857 /nfs/dbraw/zinc/53/28/57/484532857.db2.gz TYGGPRLBEABZQQ-TZMCWYRMSA-N -1 0 361.398 -0.012 20 0 FBADRM CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000655994883 484531892 /nfs/dbraw/zinc/53/18/92/484531892.db2.gz YJECEIDLTZKZKJ-JTQLQIEISA-N -1 0 371.415 -0.562 20 0 FBADRM CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000655994886 484532770 /nfs/dbraw/zinc/53/27/70/484532770.db2.gz YJECEIDLTZKZKJ-SNVBAGLBSA-N -1 0 371.415 -0.562 20 0 FBADRM COc1ccc(-n2cc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])nn2)cc1 ZINC000655995039 484532049 /nfs/dbraw/zinc/53/20/49/484532049.db2.gz ZOKIWCOUXNLAIR-JTQLQIEISA-N -1 0 361.358 -0.271 20 0 FBADRM COc1ccc(-n2cc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])nn2)cc1 ZINC000655995041 484532816 /nfs/dbraw/zinc/53/28/16/484532816.db2.gz ZOKIWCOUXNLAIR-SNVBAGLBSA-N -1 0 361.358 -0.271 20 0 FBADRM COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC2 ZINC000655995047 484532713 /nfs/dbraw/zinc/53/27/13/484532713.db2.gz ZPTVXJPCSAQQSW-GHMZBOCLSA-N -1 0 367.406 -0.672 20 0 FBADRM COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CC2 ZINC000655995053 484532200 /nfs/dbraw/zinc/53/22/00/484532200.db2.gz ZPTVXJPCSAQQSW-MNOVXSKESA-N -1 0 367.406 -0.672 20 0 FBADRM COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CC2 ZINC000655995055 484532700 /nfs/dbraw/zinc/53/27/00/484532700.db2.gz ZPTVXJPCSAQQSW-QWRGUYRKSA-N -1 0 367.406 -0.672 20 0 FBADRM COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC2 ZINC000655995057 484531979 /nfs/dbraw/zinc/53/19/79/484531979.db2.gz ZPTVXJPCSAQQSW-WDEREUQCSA-N -1 0 367.406 -0.672 20 0 FBADRM CCS(=O)(=O)c1ccc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])s1 ZINC000655995298 484532683 /nfs/dbraw/zinc/53/26/83/484532683.db2.gz BFHJNKZLHWAJCZ-MRVPVSSYSA-N -1 0 362.429 -0.005 20 0 FBADRM CCS(=O)(=O)c1ccc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])s1 ZINC000655995301 484532604 /nfs/dbraw/zinc/53/26/04/484532604.db2.gz BFHJNKZLHWAJCZ-QMMMGPOBSA-N -1 0 362.429 -0.005 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)NCc1nc(-c2ccccn2)n[nH]1)C(=O)[O-] ZINC000655995655 484531969 /nfs/dbraw/zinc/53/19/69/484531969.db2.gz FJWJIINSPNOGSY-JTQLQIEISA-N -1 0 360.374 -0.044 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)NCc1nc(-c2ccccn2)n[nH]1)C(=O)[O-] ZINC000655995656 484532797 /nfs/dbraw/zinc/53/27/97/484532797.db2.gz FJWJIINSPNOGSY-SNVBAGLBSA-N -1 0 360.374 -0.044 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCc1nc(COc2ccccc2)n[nH]1)C(=O)[O-] ZINC000655995766 484532035 /nfs/dbraw/zinc/53/20/35/484532035.db2.gz HGVRHSZSUIZIOL-JTQLQIEISA-N -1 0 361.358 -0.163 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCc1nc(COc2ccccc2)n[nH]1)C(=O)[O-] ZINC000655995767 484532743 /nfs/dbraw/zinc/53/27/43/484532743.db2.gz HGVRHSZSUIZIOL-SNVBAGLBSA-N -1 0 361.358 -0.163 20 0 FBADRM Cc1cc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C2)n(C)n1 ZINC000655995871 484532415 /nfs/dbraw/zinc/53/24/15/484532415.db2.gz JZNUCQQWIAILTF-CMPLNLGQSA-N -1 0 351.407 -0.350 20 0 FBADRM Cc1cc(N2CCC[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C2)n(C)n1 ZINC000655995872 484532916 /nfs/dbraw/zinc/53/29/16/484532916.db2.gz JZNUCQQWIAILTF-JQWIXIFHSA-N -1 0 351.407 -0.350 20 0 FBADRM Cc1cc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C2)n(C)n1 ZINC000655995873 484532128 /nfs/dbraw/zinc/53/21/28/484532128.db2.gz JZNUCQQWIAILTF-PWSUYJOCSA-N -1 0 351.407 -0.350 20 0 FBADRM Cc1cc(N2CCC[C@@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C2)n(C)n1 ZINC000655995874 484532673 /nfs/dbraw/zinc/53/26/73/484532673.db2.gz JZNUCQQWIAILTF-ZYHUDNBSSA-N -1 0 351.407 -0.350 20 0 FBADRM CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000655996466 484532019 /nfs/dbraw/zinc/53/20/19/484532019.db2.gz AXJPAROOIFKTCV-JTQLQIEISA-N -1 0 371.415 -0.562 20 0 FBADRM CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000655996468 484532467 /nfs/dbraw/zinc/53/24/67/484532467.db2.gz AXJPAROOIFKTCV-SNVBAGLBSA-N -1 0 371.415 -0.562 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCc1ncn(Cc2cccc(F)c2)n1)C(=O)[O-] ZINC000655996514 484531868 /nfs/dbraw/zinc/53/18/68/484531868.db2.gz UHALVHMRNUBBHA-JTQLQIEISA-N -1 0 363.349 -0.081 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCc1ncn(Cc2cccc(F)c2)n1)C(=O)[O-] ZINC000655996519 484532075 /nfs/dbraw/zinc/53/20/75/484532075.db2.gz UHALVHMRNUBBHA-SNVBAGLBSA-N -1 0 363.349 -0.081 20 0 FBADRM Cn1cnnc1N1CCN(C(=O)C(=O)NCCCCCC(=O)[O-])CC1 ZINC000655996531 484532498 /nfs/dbraw/zinc/53/24/98/484532498.db2.gz CGCQTXJCLUEBBL-UHFFFAOYSA-N -1 0 352.395 -0.775 20 0 FBADRM C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O)C(=O)[O-] ZINC000655996742 484532121 /nfs/dbraw/zinc/53/21/21/484532121.db2.gz GHHOHTBCKMCLCF-BXKDBHETSA-N -1 0 351.334 -0.116 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O)C(=O)[O-] ZINC000655996743 484531958 /nfs/dbraw/zinc/53/19/58/484531958.db2.gz GHHOHTBCKMCLCF-CABZTGNLSA-N -1 0 351.334 -0.116 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O)C(=O)[O-] ZINC000655996744 484532149 /nfs/dbraw/zinc/53/21/49/484532149.db2.gz GHHOHTBCKMCLCF-JOYOIKCWSA-N -1 0 351.334 -0.116 20 0 FBADRM C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O)C(=O)[O-] ZINC000655996839 484532004 /nfs/dbraw/zinc/53/20/04/484532004.db2.gz GHHOHTBCKMCLCF-SKDRFNHKSA-N -1 0 351.334 -0.116 20 0 FBADRM Cn1cnnc1N1CCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)CC1 ZINC000655996894 484532692 /nfs/dbraw/zinc/53/26/92/484532692.db2.gz HAPFXDAFWMSXKL-UHFFFAOYSA-N -1 0 364.406 -0.777 20 0 FBADRM Cn1cnnc1N1CCN(C(=O)C(=O)NCc2cccc(C(=O)[O-])c2)CC1 ZINC000655997230 484531900 /nfs/dbraw/zinc/53/19/00/484531900.db2.gz CQKZYBOZHBNVAG-UHFFFAOYSA-N -1 0 372.385 -0.522 20 0 FBADRM Cn1cnnc1N1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000655997251 484532507 /nfs/dbraw/zinc/53/25/07/484532507.db2.gz DKGRJSKHVRORIF-UHFFFAOYSA-N -1 0 352.395 -0.919 20 0 FBADRM C[C@@H](NC(=O)C(=O)NCCN1CCCC1=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655997299 484532956 /nfs/dbraw/zinc/53/29/56/484532956.db2.gz GPVQWZBZZRQNJX-GRYCIOLGSA-N -1 0 353.419 -0.023 20 0 FBADRM C[C@H](NC(=O)C(=O)NCCN1CCCC1=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655997300 484531882 /nfs/dbraw/zinc/53/18/82/484531882.db2.gz GPVQWZBZZRQNJX-SDDRHHMPSA-N -1 0 353.419 -0.023 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)NCC1(CS(C)(=O)=O)CCC1)C(=O)[O-] ZINC000655997538 484532948 /nfs/dbraw/zinc/53/29/48/484532948.db2.gz NDHKVIZFYWTBQB-LLVKDONJSA-N -1 0 362.448 -0.210 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)NCC1(CS(C)(=O)=O)CCC1)C(=O)[O-] ZINC000655997539 484531909 /nfs/dbraw/zinc/53/19/09/484531909.db2.gz NDHKVIZFYWTBQB-NSHDSACASA-N -1 0 362.448 -0.210 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCN(c2nncn2C)CC1)C(=O)[O-] ZINC000655997916 484532806 /nfs/dbraw/zinc/53/28/06/484532806.db2.gz LYDVNQIERYSFOB-UHFFFAOYSA-N -1 0 366.422 -0.529 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)NCCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC000655997989 484533935 /nfs/dbraw/zinc/53/39/35/484533935.db2.gz RKCALXSPCZFYSM-JTQLQIEISA-N -1 0 350.437 -0.211 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC000655997990 484533615 /nfs/dbraw/zinc/53/36/15/484533615.db2.gz RKCALXSPCZFYSM-SNVBAGLBSA-N -1 0 350.437 -0.211 20 0 FBADRM CC(C)(C)n1nnc(CNC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)n1 ZINC000655998205 484533977 /nfs/dbraw/zinc/53/39/77/484533977.db2.gz UVOIBQSBADRDSI-UHFFFAOYSA-N -1 0 352.395 -0.196 20 0 FBADRM Cn1cnnc1N1CCN(C(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000655998251 484533802 /nfs/dbraw/zinc/53/38/02/484533802.db2.gz WACNDCYTJXZKIE-UHFFFAOYSA-N -1 0 372.385 -0.522 20 0 FBADRM C[C@H](CNC(=O)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1)C(=O)[O-] ZINC000655998323 484534055 /nfs/dbraw/zinc/53/40/55/484534055.db2.gz RDJVEURNSSZEMS-NXEZZACHSA-N -1 0 370.383 -0.826 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1)C(=O)[O-] ZINC000655998324 484533991 /nfs/dbraw/zinc/53/39/91/484533991.db2.gz RDJVEURNSSZEMS-UWVGGRQHSA-N -1 0 370.383 -0.826 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1)C(=O)[O-] ZINC000655998325 484533841 /nfs/dbraw/zinc/53/38/41/484533841.db2.gz RDJVEURNSSZEMS-VHSXEESVSA-N -1 0 370.383 -0.826 20 0 FBADRM C[C@H](CNC(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1)C(=O)[O-] ZINC000655998326 484534018 /nfs/dbraw/zinc/53/40/18/484534018.db2.gz RDJVEURNSSZEMS-ZJUUUORDSA-N -1 0 370.383 -0.826 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCN(c2nncn2C)CC1)C(=O)[O-] ZINC000655998374 484533777 /nfs/dbraw/zinc/53/37/77/484533777.db2.gz SBECDTJNYIFWEF-GFCCVEGCSA-N -1 0 366.422 -0.673 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(c2nncn2C)CC1)C(=O)[O-] ZINC000655998375 484533982 /nfs/dbraw/zinc/53/39/82/484533982.db2.gz SBECDTJNYIFWEF-LBPRGKRZSA-N -1 0 366.422 -0.673 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1)C(=O)[O-] ZINC000655998534 484534145 /nfs/dbraw/zinc/53/41/45/484534145.db2.gz UOIAYRWGJSFPEN-GFCCVEGCSA-N -1 0 360.370 -0.216 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1)C(=O)[O-] ZINC000655998535 484534202 /nfs/dbraw/zinc/53/42/02/484534202.db2.gz UOIAYRWGJSFPEN-LBPRGKRZSA-N -1 0 360.370 -0.216 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCc1nnn(C(C)(C)C)n1)C(=O)[O-] ZINC000655998635 484534076 /nfs/dbraw/zinc/53/40/76/484534076.db2.gz VIMSTQQKLILFBI-JTQLQIEISA-N -1 0 354.411 -0.093 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCc1nnn(C(C)(C)C)n1)C(=O)[O-] ZINC000655998642 484534083 /nfs/dbraw/zinc/53/40/83/484534083.db2.gz VIMSTQQKLILFBI-SNVBAGLBSA-N -1 0 354.411 -0.093 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1)C(=O)[O-] ZINC000655999030 484533701 /nfs/dbraw/zinc/53/37/01/484533701.db2.gz FSAINDGKPRCNBP-UWVGGRQHSA-N -1 0 368.415 -0.347 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1)C(=O)[O-] ZINC000655999031 484534155 /nfs/dbraw/zinc/53/41/55/484534155.db2.gz FSAINDGKPRCNBP-ZJUUUORDSA-N -1 0 368.415 -0.347 20 0 FBADRM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000655999079 484533596 /nfs/dbraw/zinc/53/35/96/484533596.db2.gz GXHKZXWGOROSIO-JMCQJSRRSA-N -1 0 353.297 -0.650 20 0 FBADRM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000655999080 484533944 /nfs/dbraw/zinc/53/39/44/484533944.db2.gz GXHKZXWGOROSIO-JVXZTZIISA-N -1 0 353.297 -0.650 20 0 FBADRM CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000655999081 484534229 /nfs/dbraw/zinc/53/42/29/484534229.db2.gz GXHKZXWGOROSIO-KRTXAFLBSA-N -1 0 353.297 -0.650 20 0 FBADRM CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000655999082 484533419 /nfs/dbraw/zinc/53/34/19/484533419.db2.gz GXHKZXWGOROSIO-MADCSZMMSA-N -1 0 353.297 -0.650 20 0 FBADRM Cc1cc(C(=O)N2CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])[C@H](C)C2)[nH]n1 ZINC000655999128 484534047 /nfs/dbraw/zinc/53/40/47/484534047.db2.gz IFLGBULCSBBGEG-GXSJLCMTSA-N -1 0 365.390 -0.772 20 0 FBADRM Cc1cc(C(=O)N2CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])[C@H](C)C2)[nH]n1 ZINC000655999129 484533765 /nfs/dbraw/zinc/53/37/65/484533765.db2.gz IFLGBULCSBBGEG-MWLCHTKSSA-N -1 0 365.390 -0.772 20 0 FBADRM CC(C)(C)n1nnc(CNC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)n1 ZINC000655999288 484534129 /nfs/dbraw/zinc/53/41/29/484534129.db2.gz JBVXOTNBZTXBPV-UHFFFAOYSA-N -1 0 352.395 -0.242 20 0 FBADRM Cc1cnc(OC2CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC2)nc1 ZINC000655999399 484533918 /nfs/dbraw/zinc/53/39/18/484533918.db2.gz KDMRRWPAGWPXTL-LLVKDONJSA-N -1 0 350.375 -0.008 20 0 FBADRM Cc1cnc(OC2CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC2)nc1 ZINC000655999404 484533402 /nfs/dbraw/zinc/53/34/02/484533402.db2.gz KDMRRWPAGWPXTL-NSHDSACASA-N -1 0 350.375 -0.008 20 0 FBADRM COc1ccc(N2CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC2)nc1 ZINC000655999642 484533409 /nfs/dbraw/zinc/53/34/09/484533409.db2.gz LTAOSFMHKZAKIC-LLVKDONJSA-N -1 0 350.375 -0.424 20 0 FBADRM COc1ccc(N2CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC2)nc1 ZINC000655999643 484533925 /nfs/dbraw/zinc/53/39/25/484533925.db2.gz LTAOSFMHKZAKIC-NSHDSACASA-N -1 0 350.375 -0.424 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1)C(=O)[O-] ZINC000655999872 484532136 /nfs/dbraw/zinc/53/21/36/484532136.db2.gz OWBSZYKSCJIXRA-LLVKDONJSA-N -1 0 363.370 -0.487 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1)C(=O)[O-] ZINC000655999873 484533518 /nfs/dbraw/zinc/53/35/18/484533518.db2.gz OWBSZYKSCJIXRA-NSHDSACASA-N -1 0 363.370 -0.487 20 0 FBADRM CCc1nsc(N2CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC2)n1 ZINC000655999933 484534274 /nfs/dbraw/zinc/53/42/74/484534274.db2.gz LVBWFERXFAIZCL-JTQLQIEISA-N -1 0 369.447 -0.024 20 0 FBADRM CCc1nsc(N2CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC2)n1 ZINC000655999934 484534103 /nfs/dbraw/zinc/53/41/03/484534103.db2.gz LVBWFERXFAIZCL-SNVBAGLBSA-N -1 0 369.447 -0.024 20 0 FBADRM CCOc1cccc(N2CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC2)n1 ZINC000655999965 484534138 /nfs/dbraw/zinc/53/41/38/484534138.db2.gz MXMIKMRBPPNBPE-GFCCVEGCSA-N -1 0 364.402 -0.034 20 0 FBADRM CCOc1cccc(N2CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC2)n1 ZINC000655999966 484533557 /nfs/dbraw/zinc/53/35/57/484533557.db2.gz MXMIKMRBPPNBPE-LBPRGKRZSA-N -1 0 364.402 -0.034 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2nnn(C(C)(C)C)n2)C1 ZINC000656000635 484534264 /nfs/dbraw/zinc/53/42/64/484534264.db2.gz VAKXQUNZUMUNDL-NXEZZACHSA-N -1 0 352.395 -0.387 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2nnn(C(C)(C)C)n2)C1 ZINC000656000639 484533445 /nfs/dbraw/zinc/53/34/45/484533445.db2.gz VAKXQUNZUMUNDL-UWVGGRQHSA-N -1 0 352.395 -0.387 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2nnn(C(C)(C)C)n2)C1 ZINC000656000641 484533348 /nfs/dbraw/zinc/53/33/48/484533348.db2.gz VAKXQUNZUMUNDL-VHSXEESVSA-N -1 0 352.395 -0.387 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2nnn(C(C)(C)C)n2)C1 ZINC000656000644 484534003 /nfs/dbraw/zinc/53/40/03/484534003.db2.gz VAKXQUNZUMUNDL-ZJUUUORDSA-N -1 0 352.395 -0.387 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2nnn(C(C)(C)C)n2)C[C@H]1C(=O)[O-] ZINC000656000740 484533563 /nfs/dbraw/zinc/53/35/63/484533563.db2.gz WZZCXGULOXFNGD-NXEZZACHSA-N -1 0 352.395 -0.387 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCc2nnn(C(C)(C)C)n2)C[C@@H]1C(=O)[O-] ZINC000656000741 484533986 /nfs/dbraw/zinc/53/39/86/484533986.db2.gz WZZCXGULOXFNGD-UWVGGRQHSA-N -1 0 352.395 -0.387 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCc2nnn(C(C)(C)C)n2)C[C@H]1C(=O)[O-] ZINC000656000937 484534059 /nfs/dbraw/zinc/53/40/59/484534059.db2.gz WZZCXGULOXFNGD-VHSXEESVSA-N -1 0 352.395 -0.387 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2nnn(C(C)(C)C)n2)C[C@@H]1C(=O)[O-] ZINC000656000939 484533833 /nfs/dbraw/zinc/53/38/33/484533833.db2.gz WZZCXGULOXFNGD-ZJUUUORDSA-N -1 0 352.395 -0.387 20 0 FBADRM COCCN(Cc1c(C)nn(C)c1C)C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000656000941 484534196 /nfs/dbraw/zinc/53/41/96/484534196.db2.gz XAZFSKRXSASFAA-JTQLQIEISA-N -1 0 354.407 -0.151 20 0 FBADRM COCCN(Cc1c(C)nn(C)c1C)C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000656000943 484533869 /nfs/dbraw/zinc/53/38/69/484533869.db2.gz XAZFSKRXSASFAA-SNVBAGLBSA-N -1 0 354.407 -0.151 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C(=O)NCc2ccccc2)C1)C(=O)[O-] ZINC000656001017 484533632 /nfs/dbraw/zinc/53/36/32/484533632.db2.gz YGPOKGWUINRQJX-GXTWGEPZSA-N -1 0 361.398 -0.012 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@H](C(=O)NCc2ccccc2)C1)C(=O)[O-] ZINC000656001018 484534092 /nfs/dbraw/zinc/53/40/92/484534092.db2.gz YGPOKGWUINRQJX-JSGCOSHPSA-N -1 0 361.398 -0.012 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CC[C@H](C(=O)NCc2ccccc2)C1)C(=O)[O-] ZINC000656001019 484533337 /nfs/dbraw/zinc/53/33/37/484533337.db2.gz YGPOKGWUINRQJX-OCCSQVGLSA-N -1 0 361.398 -0.012 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CC[C@@H](C(=O)NCc2ccccc2)C1)C(=O)[O-] ZINC000656001020 484533815 /nfs/dbraw/zinc/53/38/15/484533815.db2.gz YGPOKGWUINRQJX-TZMCWYRMSA-N -1 0 361.398 -0.012 20 0 FBADRM CC(C)(C)n1nnc(CNC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)n1 ZINC000656001031 484533808 /nfs/dbraw/zinc/53/38/08/484533808.db2.gz YQMAKJYWVFLKDX-JTQLQIEISA-N -1 0 352.395 -0.242 20 0 FBADRM CC(C)(C)n1nnc(CNC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)n1 ZINC000656001032 484533733 /nfs/dbraw/zinc/53/37/33/484533733.db2.gz YQMAKJYWVFLKDX-SNVBAGLBSA-N -1 0 352.395 -0.242 20 0 FBADRM Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000656001231 484533441 /nfs/dbraw/zinc/53/34/41/484533441.db2.gz BATFGFRHADVHHW-BXKDBHETSA-N -1 0 352.391 -0.226 20 0 FBADRM Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000656001232 484533512 /nfs/dbraw/zinc/53/35/12/484533512.db2.gz BATFGFRHADVHHW-CABZTGNLSA-N -1 0 352.391 -0.226 20 0 FBADRM Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000656001233 484533551 /nfs/dbraw/zinc/53/35/51/484533551.db2.gz BATFGFRHADVHHW-JOYOIKCWSA-N -1 0 352.391 -0.226 20 0 FBADRM Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000656001234 484534215 /nfs/dbraw/zinc/53/42/15/484534215.db2.gz BATFGFRHADVHHW-SKDRFNHKSA-N -1 0 352.391 -0.226 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N[C@H](CS(C)(=O)=O)c1ccccc1)C(=O)[O-] ZINC000656001235 484533825 /nfs/dbraw/zinc/53/38/25/484533825.db2.gz BEWQEIUQAGPJAL-CMPLNLGQSA-N -1 0 356.400 -0.275 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)C(=O)[O-] ZINC000656001236 484533673 /nfs/dbraw/zinc/53/36/73/484533673.db2.gz BEWQEIUQAGPJAL-JQWIXIFHSA-N -1 0 356.400 -0.275 20 0 FBADRM C[C@H](CNC(=O)C(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)C(=O)[O-] ZINC000656001237 484534098 /nfs/dbraw/zinc/53/40/98/484534098.db2.gz BEWQEIUQAGPJAL-PWSUYJOCSA-N -1 0 356.400 -0.275 20 0 FBADRM C[C@H](CNC(=O)C(=O)N[C@H](CS(C)(=O)=O)c1ccccc1)C(=O)[O-] ZINC000656001238 484533392 /nfs/dbraw/zinc/53/33/92/484533392.db2.gz BEWQEIUQAGPJAL-ZYHUDNBSSA-N -1 0 356.400 -0.275 20 0 FBADRM CCN(C1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1)S(C)(=O)=O ZINC000656001876 484534220 /nfs/dbraw/zinc/53/42/20/484534220.db2.gz ONBGEUPOOCVWOO-JTQLQIEISA-N -1 0 363.436 -0.904 20 0 FBADRM CCN(C1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1)S(C)(=O)=O ZINC000656001877 484534208 /nfs/dbraw/zinc/53/42/08/484534208.db2.gz ONBGEUPOOCVWOO-SNVBAGLBSA-N -1 0 363.436 -0.904 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2)CC1)C(=O)[O-] ZINC000656002080 484533966 /nfs/dbraw/zinc/53/39/66/484533966.db2.gz SZDOCYDHUMHHRU-CYBMUJFWSA-N -1 0 361.398 -0.263 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2)CC1)C(=O)[O-] ZINC000656002081 484534174 /nfs/dbraw/zinc/53/41/74/484534174.db2.gz SZDOCYDHUMHHRU-ZDUSSCGKSA-N -1 0 361.398 -0.263 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000656002347 484535367 /nfs/dbraw/zinc/53/53/67/484535367.db2.gz AYVIWWZXAOHHBI-JTQLQIEISA-N -1 0 356.400 -0.115 20 0 FBADRM C[C@H](CNC(=O)C(=O)N(C)Cc1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000656002350 484535419 /nfs/dbraw/zinc/53/54/19/484535419.db2.gz AYVIWWZXAOHHBI-SNVBAGLBSA-N -1 0 356.400 -0.115 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1)C(=O)[O-] ZINC000656002367 484534738 /nfs/dbraw/zinc/53/47/38/484534738.db2.gz YBZUIEMZBYGKAY-HTQZYQBOSA-N -1 0 353.297 -0.650 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1)C(=O)[O-] ZINC000656002368 484534772 /nfs/dbraw/zinc/53/47/72/484534772.db2.gz YBZUIEMZBYGKAY-JGVFFNPUSA-N -1 0 353.297 -0.650 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1)C(=O)[O-] ZINC000656002370 484535265 /nfs/dbraw/zinc/53/52/65/484535265.db2.gz YBZUIEMZBYGKAY-SFYZADRCSA-N -1 0 353.297 -0.650 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1)C(=O)[O-] ZINC000656002372 484534730 /nfs/dbraw/zinc/53/47/30/484534730.db2.gz YBZUIEMZBYGKAY-YUMQZZPRSA-N -1 0 353.297 -0.650 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000656002396 484535168 /nfs/dbraw/zinc/53/51/68/484535168.db2.gz YHUQYGDKAIVTAM-GRYCIOLGSA-N -1 0 357.407 -0.787 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000656002398 484534923 /nfs/dbraw/zinc/53/49/23/484534923.db2.gz YHUQYGDKAIVTAM-IJLUTSLNSA-N -1 0 357.407 -0.787 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000656002400 484535196 /nfs/dbraw/zinc/53/51/96/484535196.db2.gz YHUQYGDKAIVTAM-QJPTWQEYSA-N -1 0 357.407 -0.787 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000656002402 484534990 /nfs/dbraw/zinc/53/49/90/484534990.db2.gz YHUQYGDKAIVTAM-SDDRHHMPSA-N -1 0 357.407 -0.787 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])s1 ZINC000656002563 484534877 /nfs/dbraw/zinc/53/48/77/484534877.db2.gz DFGLGOUXWYKXJL-SSDOTTSWSA-N -1 0 363.417 -0.891 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])s1 ZINC000656002568 484535352 /nfs/dbraw/zinc/53/53/52/484535352.db2.gz DFGLGOUXWYKXJL-ZETCQYMHSA-N -1 0 363.417 -0.891 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000656003228 484533377 /nfs/dbraw/zinc/53/33/77/484533377.db2.gz RETXRTIYBMSVPP-DGAVXFQQSA-N -1 0 355.435 -0.077 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000656003229 484533681 /nfs/dbraw/zinc/53/36/81/484533681.db2.gz RETXRTIYBMSVPP-FQUUOJAGSA-N -1 0 355.435 -0.077 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000656003232 484533657 /nfs/dbraw/zinc/53/36/57/484533657.db2.gz RETXRTIYBMSVPP-MQYQWHSLSA-N -1 0 355.435 -0.077 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000656003234 484535676 /nfs/dbraw/zinc/53/56/76/484535676.db2.gz RETXRTIYBMSVPP-SYQHCUMBSA-N -1 0 355.435 -0.077 20 0 FBADRM CCOCCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000656003472 484534749 /nfs/dbraw/zinc/53/47/49/484534749.db2.gz UFSNIEOESPDFQE-GFCCVEGCSA-N -1 0 371.434 -0.395 20 0 FBADRM CCOCCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000656003473 484534889 /nfs/dbraw/zinc/53/48/89/484534889.db2.gz UFSNIEOESPDFQE-LBPRGKRZSA-N -1 0 371.434 -0.395 20 0 FBADRM CCCS(=O)(=O)NC1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000656003516 484534703 /nfs/dbraw/zinc/53/47/03/484534703.db2.gz VQPANMRUWAWRLI-JTQLQIEISA-N -1 0 363.436 -0.856 20 0 FBADRM CCCS(=O)(=O)NC1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000656003517 484535253 /nfs/dbraw/zinc/53/52/53/484535253.db2.gz VQPANMRUWAWRLI-SNVBAGLBSA-N -1 0 363.436 -0.856 20 0 FBADRM CC(C)CN1C[C@@H]2CN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CCN2C1=O ZINC000656003655 484535706 /nfs/dbraw/zinc/53/57/06/484535706.db2.gz IITAZNUTFCHVIY-NEPJUHHUSA-N -1 0 354.407 -0.572 20 0 FBADRM CC(C)CN1C[C@H]2CN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CCN2C1=O ZINC000656003656 484535043 /nfs/dbraw/zinc/53/50/43/484535043.db2.gz IITAZNUTFCHVIY-NWDGAFQWSA-N -1 0 354.407 -0.572 20 0 FBADRM CC(C)CN1C[C@@H]2CN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CCN2C1=O ZINC000656003657 484534743 /nfs/dbraw/zinc/53/47/43/484534743.db2.gz IITAZNUTFCHVIY-RYUDHWBXSA-N -1 0 354.407 -0.572 20 0 FBADRM CC(C)CN1C[C@H]2CN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CCN2C1=O ZINC000656003658 484534854 /nfs/dbraw/zinc/53/48/54/484534854.db2.gz IITAZNUTFCHVIY-VXGBXAGGSA-N -1 0 354.407 -0.572 20 0 FBADRM Cc1nsc(N2CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC2)n1 ZINC000656003905 484535605 /nfs/dbraw/zinc/53/56/05/484535605.db2.gz YTKRFIVRCOFVMM-SECBINFHSA-N -1 0 355.420 -0.278 20 0 FBADRM Cc1nsc(N2CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC2)n1 ZINC000656003907 484534709 /nfs/dbraw/zinc/53/47/09/484534709.db2.gz YTKRFIVRCOFVMM-VIFPVBQESA-N -1 0 355.420 -0.278 20 0 FBADRM CCOc1ccc(NC(=O)CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000656004363 484535276 /nfs/dbraw/zinc/53/52/76/484535276.db2.gz CJMFCTNNWBXKMO-JTQLQIEISA-N -1 0 351.359 -0.023 20 0 FBADRM CCOc1ccc(NC(=O)CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000656004365 484535612 /nfs/dbraw/zinc/53/56/12/484535612.db2.gz CJMFCTNNWBXKMO-SNVBAGLBSA-N -1 0 351.359 -0.023 20 0 FBADRM CCc1nsc(N2CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC2)n1 ZINC000656004656 484536944 /nfs/dbraw/zinc/53/69/44/484536944.db2.gz HBCBRRBQLVHACF-SECBINFHSA-N -1 0 355.420 -0.414 20 0 FBADRM CCc1nsc(N2CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC2)n1 ZINC000656004659 484536951 /nfs/dbraw/zinc/53/69/51/484536951.db2.gz HBCBRRBQLVHACF-VIFPVBQESA-N -1 0 355.420 -0.414 20 0 FBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000656004669 484536846 /nfs/dbraw/zinc/53/68/46/484536846.db2.gz HCCVIFLFYNXMDF-JTQLQIEISA-N -1 0 363.436 -0.904 20 0 FBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000656004671 484536389 /nfs/dbraw/zinc/53/63/89/484536389.db2.gz HCCVIFLFYNXMDF-SNVBAGLBSA-N -1 0 363.436 -0.904 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)C(=O)[O-] ZINC000656004832 484536625 /nfs/dbraw/zinc/53/66/25/484536625.db2.gz JBBBCKDLDRXUEY-LLVKDONJSA-N -1 0 362.386 -0.729 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)C(=O)[O-] ZINC000656004834 484536675 /nfs/dbraw/zinc/53/66/75/484536675.db2.gz JBBBCKDLDRXUEY-NSHDSACASA-N -1 0 362.386 -0.729 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCN(CC(F)(F)C(F)F)CC1)C(=O)[O-] ZINC000656005424 484534837 /nfs/dbraw/zinc/53/48/37/484534837.db2.gz OGXVMPXIYQMHQO-MRVPVSSYSA-N -1 0 357.304 -0.132 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCN(CC(F)(F)C(F)F)CC1)C(=O)[O-] ZINC000656005426 484535465 /nfs/dbraw/zinc/53/54/65/484535465.db2.gz OGXVMPXIYQMHQO-QMMMGPOBSA-N -1 0 357.304 -0.132 20 0 FBADRM CC(C)c1nc([C@H]2COCCN2C(=O)C(=O)NC[C@@H](C)C(=O)[O-])no1 ZINC000656005589 484534982 /nfs/dbraw/zinc/53/49/82/484534982.db2.gz JXAVASRPDXKYGL-NXEZZACHSA-N -1 0 354.363 -0.070 20 0 FBADRM CC(C)c1nc([C@@H]2COCCN2C(=O)C(=O)NC[C@H](C)C(=O)[O-])no1 ZINC000656005590 484535160 /nfs/dbraw/zinc/53/51/60/484535160.db2.gz JXAVASRPDXKYGL-UWVGGRQHSA-N -1 0 354.363 -0.070 20 0 FBADRM CC(C)c1nc([C@H]2COCCN2C(=O)C(=O)NC[C@H](C)C(=O)[O-])no1 ZINC000656005591 484534973 /nfs/dbraw/zinc/53/49/73/484534973.db2.gz JXAVASRPDXKYGL-VHSXEESVSA-N -1 0 354.363 -0.070 20 0 FBADRM CC(C)c1nc([C@@H]2COCCN2C(=O)C(=O)NC[C@@H](C)C(=O)[O-])no1 ZINC000656005592 484535427 /nfs/dbraw/zinc/53/54/27/484535427.db2.gz JXAVASRPDXKYGL-ZJUUUORDSA-N -1 0 354.363 -0.070 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1)C(=O)[O-] ZINC000656005621 484535244 /nfs/dbraw/zinc/53/52/44/484535244.db2.gz RJLJSSLNXOMWHM-LLVKDONJSA-N -1 0 365.361 -0.167 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1)C(=O)[O-] ZINC000656005622 484535660 /nfs/dbraw/zinc/53/56/60/484535660.db2.gz RJLJSSLNXOMWHM-NSHDSACASA-N -1 0 365.361 -0.167 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCN(c2cccc(F)c2)C(=O)C1)C(=O)[O-] ZINC000656005974 484535441 /nfs/dbraw/zinc/53/54/41/484535441.db2.gz OQZAVSLBUDXQPV-JTQLQIEISA-N -1 0 351.334 -0.162 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCN(c2cccc(F)c2)C(=O)C1)C(=O)[O-] ZINC000656005975 484534963 /nfs/dbraw/zinc/53/49/63/484534963.db2.gz OQZAVSLBUDXQPV-SNVBAGLBSA-N -1 0 351.334 -0.162 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCN(C(=O)N2CCCCC2)CC1)C(=O)[O-] ZINC000656006358 484536287 /nfs/dbraw/zinc/53/62/87/484536287.db2.gz QMVLTXNPDMMXEG-GFCCVEGCSA-N -1 0 354.407 -0.427 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)N2CCCCC2)CC1)C(=O)[O-] ZINC000656006363 484538429 /nfs/dbraw/zinc/53/84/29/484538429.db2.gz QMVLTXNPDMMXEG-LBPRGKRZSA-N -1 0 354.407 -0.427 20 0 FBADRM C[C@H](CNC(=O)C(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000656006638 484536813 /nfs/dbraw/zinc/53/68/13/484536813.db2.gz YNDGQFDROJPMRQ-NXEZZACHSA-N -1 0 371.415 -0.310 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000656006640 484536904 /nfs/dbraw/zinc/53/69/04/484536904.db2.gz YNDGQFDROJPMRQ-UWVGGRQHSA-N -1 0 371.415 -0.310 20 0 FBADRM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000656006641 484536404 /nfs/dbraw/zinc/53/64/04/484536404.db2.gz YNDGQFDROJPMRQ-VHSXEESVSA-N -1 0 371.415 -0.310 20 0 FBADRM C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000656006642 484536990 /nfs/dbraw/zinc/53/69/90/484536990.db2.gz YNDGQFDROJPMRQ-ZJUUUORDSA-N -1 0 371.415 -0.310 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCS(=O)(=O)c2ccccc2C1)C(=O)[O-] ZINC000656006775 484536414 /nfs/dbraw/zinc/53/64/14/484536414.db2.gz USKVKIPSBKZDEX-JTQLQIEISA-N -1 0 354.384 -0.361 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCS(=O)(=O)c2ccccc2C1)C(=O)[O-] ZINC000656006776 484536438 /nfs/dbraw/zinc/53/64/38/484536438.db2.gz USKVKIPSBKZDEX-SNVBAGLBSA-N -1 0 354.384 -0.361 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)C(=O)[O-] ZINC000656006813 484536265 /nfs/dbraw/zinc/53/62/65/484536265.db2.gz VSCWMAVCTNFWIO-LLVKDONJSA-N -1 0 365.361 -0.053 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)C(=O)[O-] ZINC000656006814 484536300 /nfs/dbraw/zinc/53/63/00/484536300.db2.gz VSCWMAVCTNFWIO-NSHDSACASA-N -1 0 365.361 -0.053 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N(C)CCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000656006993 484536567 /nfs/dbraw/zinc/53/65/67/484536567.db2.gz ZUNNVOPKVKUSTG-JTQLQIEISA-N -1 0 361.354 -0.422 20 0 FBADRM C[C@H](CNC(=O)C(=O)N(C)CCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000656006994 484536832 /nfs/dbraw/zinc/53/68/32/484536832.db2.gz ZUNNVOPKVKUSTG-SNVBAGLBSA-N -1 0 361.354 -0.422 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC(NC(=O)C2CC2)CC1)C(=O)[O-] ZINC000656007550 484536933 /nfs/dbraw/zinc/53/69/33/484536933.db2.gz HZSOYDOOOCUMMB-CYBMUJFWSA-N -1 0 353.419 -0.023 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC(NC(=O)C2CC2)CC1)C(=O)[O-] ZINC000656007551 484536550 /nfs/dbraw/zinc/53/65/50/484536550.db2.gz HZSOYDOOOCUMMB-ZDUSSCGKSA-N -1 0 353.419 -0.023 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)C(=O)[O-] ZINC000656007570 484536228 /nfs/dbraw/zinc/53/62/28/484536228.db2.gz IKMRCRJSTJXCPO-GHMZBOCLSA-N -1 0 363.436 -0.856 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)C(=O)[O-] ZINC000656007571 484536680 /nfs/dbraw/zinc/53/66/80/484536680.db2.gz IKMRCRJSTJXCPO-MNOVXSKESA-N -1 0 363.436 -0.856 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)C(=O)[O-] ZINC000656007572 484536572 /nfs/dbraw/zinc/53/65/72/484536572.db2.gz IKMRCRJSTJXCPO-QWRGUYRKSA-N -1 0 363.436 -0.856 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)C(=O)[O-] ZINC000656007573 484536784 /nfs/dbraw/zinc/53/67/84/484536784.db2.gz IKMRCRJSTJXCPO-WDEREUQCSA-N -1 0 363.436 -0.856 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCOC[C@H]1c1ccnn1C)C(=O)[O-] ZINC000656007629 484536976 /nfs/dbraw/zinc/53/69/76/484536976.db2.gz JWGPNHFREAVADZ-AAEUAGOBSA-N -1 0 352.391 -0.207 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCOC[C@@H]1c1ccnn1C)C(=O)[O-] ZINC000656007630 484536768 /nfs/dbraw/zinc/53/67/68/484536768.db2.gz JWGPNHFREAVADZ-DGCLKSJQSA-N -1 0 352.391 -0.207 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCOC[C@@H]1c1ccnn1C)C(=O)[O-] ZINC000656007631 484536369 /nfs/dbraw/zinc/53/63/69/484536369.db2.gz JWGPNHFREAVADZ-WCQYABFASA-N -1 0 352.391 -0.207 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCOC[C@H]1c1ccnn1C)C(=O)[O-] ZINC000656007632 484536434 /nfs/dbraw/zinc/53/64/34/484536434.db2.gz JWGPNHFREAVADZ-YPMHNXCESA-N -1 0 352.391 -0.207 20 0 FBADRM COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000656007672 484536206 /nfs/dbraw/zinc/53/62/06/484536206.db2.gz KOYHNXYSACKQMF-CYBMUJFWSA-N -1 0 371.434 -0.539 20 0 FBADRM COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1 ZINC000656007673 484536487 /nfs/dbraw/zinc/53/64/87/484536487.db2.gz KOYHNXYSACKQMF-ZDUSSCGKSA-N -1 0 371.434 -0.539 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccsc2)CC1)C(=O)[O-] ZINC000656007678 484536253 /nfs/dbraw/zinc/53/62/53/484536253.db2.gz KXTKCFZYJWXOLF-JTQLQIEISA-N -1 0 353.400 -0.131 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccsc2)CC1)C(=O)[O-] ZINC000656007679 484536495 /nfs/dbraw/zinc/53/64/95/484536495.db2.gz KXTKCFZYJWXOLF-SNVBAGLBSA-N -1 0 353.400 -0.131 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCC(C(N)=O)(c2ccccc2)CC1)C(=O)[O-] ZINC000656007730 484536683 /nfs/dbraw/zinc/53/66/83/484536683.db2.gz LVBIFIANWBCKBE-GFCCVEGCSA-N -1 0 361.398 -0.131 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCC(C(N)=O)(c2ccccc2)CC1)C(=O)[O-] ZINC000656007731 484536928 /nfs/dbraw/zinc/53/69/28/484536928.db2.gz LVBIFIANWBCKBE-LBPRGKRZSA-N -1 0 361.398 -0.131 20 0 FBADRM COCCN(Cc1ccnn1C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000656007847 484536383 /nfs/dbraw/zinc/53/63/83/484536383.db2.gz ARRATWSWHMLJBH-CYBMUJFWSA-N -1 0 354.407 -0.132 20 0 FBADRM COCCN(Cc1ccnn1C)C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000656007850 484536749 /nfs/dbraw/zinc/53/67/49/484536749.db2.gz ARRATWSWHMLJBH-ZDUSSCGKSA-N -1 0 354.407 -0.132 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](Cn2ccnn2)C1)C(=O)[O-] ZINC000656007886 484536219 /nfs/dbraw/zinc/53/62/19/484536219.db2.gz BGKXKDWCBBJEIR-CHWSQXEVSA-N -1 0 351.407 -0.010 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](Cn2ccnn2)C1)C(=O)[O-] ZINC000656007890 484536393 /nfs/dbraw/zinc/53/63/93/484536393.db2.gz BGKXKDWCBBJEIR-OLZOCXBDSA-N -1 0 351.407 -0.010 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](Cn2ccnn2)C1)C(=O)[O-] ZINC000656007893 484536261 /nfs/dbraw/zinc/53/62/61/484536261.db2.gz BGKXKDWCBBJEIR-QWHCGFSZSA-N -1 0 351.407 -0.010 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](Cn2ccnn2)C1)C(=O)[O-] ZINC000656007895 484536775 /nfs/dbraw/zinc/53/67/75/484536775.db2.gz BGKXKDWCBBJEIR-STQMWFEESA-N -1 0 351.407 -0.010 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1)C(=O)[O-] ZINC000656008042 484536585 /nfs/dbraw/zinc/53/65/85/484536585.db2.gz DNWKPYMVPNVTSJ-AGIUHOORSA-N -1 0 353.419 -0.023 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CNC(=O)C1)C(=O)[O-] ZINC000656008043 484536642 /nfs/dbraw/zinc/53/66/42/484536642.db2.gz DNWKPYMVPNVTSJ-AVGNSLFASA-N -1 0 353.419 -0.023 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1)C(=O)[O-] ZINC000656008044 484536895 /nfs/dbraw/zinc/53/68/95/484536895.db2.gz DNWKPYMVPNVTSJ-FRRDWIJNSA-N -1 0 353.419 -0.023 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1)C(=O)[O-] ZINC000656008045 484536469 /nfs/dbraw/zinc/53/64/69/484536469.db2.gz DNWKPYMVPNVTSJ-RWMBFGLXSA-N -1 0 353.419 -0.023 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1=O ZINC000656008280 484536373 /nfs/dbraw/zinc/53/63/73/484536373.db2.gz HPQDCEDLGQTBHS-GFCCVEGCSA-N -1 0 357.407 -0.833 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1=O ZINC000656008281 484536307 /nfs/dbraw/zinc/53/63/07/484536307.db2.gz HPQDCEDLGQTBHS-LBPRGKRZSA-N -1 0 357.407 -0.833 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC(Cn2cnnc2)CC1)C(=O)[O-] ZINC000656008355 484536293 /nfs/dbraw/zinc/53/62/93/484536293.db2.gz UEDRRWUQFNMLTH-CYBMUJFWSA-N -1 0 351.407 -0.010 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC(Cn2cnnc2)CC1)C(=O)[O-] ZINC000656008356 484536967 /nfs/dbraw/zinc/53/69/67/484536967.db2.gz UEDRRWUQFNMLTH-ZDUSSCGKSA-N -1 0 351.407 -0.010 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC(c2nncn2C)CC1)C(=O)[O-] ZINC000656008384 484536180 /nfs/dbraw/zinc/53/61/80/484536180.db2.gz VDMAUOSFMDFNBE-GFCCVEGCSA-N -1 0 351.407 -0.006 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC(c2nncn2C)CC1)C(=O)[O-] ZINC000656008385 484536656 /nfs/dbraw/zinc/53/66/56/484536656.db2.gz VDMAUOSFMDFNBE-LBPRGKRZSA-N -1 0 351.407 -0.006 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000656008392 484536460 /nfs/dbraw/zinc/53/64/60/484536460.db2.gz VLLLCTVOJYSJTC-LLVKDONJSA-N -1 0 365.361 -0.053 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000656008393 484536836 /nfs/dbraw/zinc/53/68/36/484536836.db2.gz VLLLCTVOJYSJTC-NSHDSACASA-N -1 0 365.361 -0.053 20 0 FBADRM COc1cc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])ccc1OCCO ZINC000656008584 484536980 /nfs/dbraw/zinc/53/69/80/484536980.db2.gz XQZWQJNYJWQYSW-JTQLQIEISA-N -1 0 354.359 -0.481 20 0 FBADRM COc1cc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])ccc1OCCO ZINC000656008585 484536817 /nfs/dbraw/zinc/53/68/17/484536817.db2.gz XQZWQJNYJWQYSW-SNVBAGLBSA-N -1 0 354.359 -0.481 20 0 FBADRM Cc1nccc(N2CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC2)n1 ZINC000656008616 484536356 /nfs/dbraw/zinc/53/63/56/484536356.db2.gz KUUWRNQVVDIMTM-CYBMUJFWSA-N -1 0 363.418 -0.093 20 0 FBADRM Cc1nccc(N2CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CC2)n1 ZINC000656008617 484536538 /nfs/dbraw/zinc/53/65/38/484536538.db2.gz KUUWRNQVVDIMTM-ZDUSSCGKSA-N -1 0 363.418 -0.093 20 0 FBADRM COCC(COC)N1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1 ZINC000656008764 484536577 /nfs/dbraw/zinc/53/65/77/484536577.db2.gz ZIQVGNHKLRCZIR-AWEZNQCLSA-N -1 0 373.450 -0.735 20 0 FBADRM COCC(COC)N1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000656008765 484536736 /nfs/dbraw/zinc/53/67/36/484536736.db2.gz ZIQVGNHKLRCZIR-CQSZACIVSA-N -1 0 373.450 -0.735 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](S(C)(=O)=O)CC1)C(=O)[O-] ZINC000656008898 484536852 /nfs/dbraw/zinc/53/68/52/484536852.db2.gz NWRDDTYVNXJPCH-NEPJUHHUSA-N -1 0 362.448 -0.115 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](S(C)(=O)=O)CC1)C(=O)[O-] ZINC000656008899 484536799 /nfs/dbraw/zinc/53/67/99/484536799.db2.gz NWRDDTYVNXJPCH-NWDGAFQWSA-N -1 0 362.448 -0.115 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](S(C)(=O)=O)CC1)C(=O)[O-] ZINC000656008900 484536940 /nfs/dbraw/zinc/53/69/40/484536940.db2.gz NWRDDTYVNXJPCH-RYUDHWBXSA-N -1 0 362.448 -0.115 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](S(C)(=O)=O)CC1)C(=O)[O-] ZINC000656008901 484536958 /nfs/dbraw/zinc/53/69/58/484536958.db2.gz NWRDDTYVNXJPCH-VXGBXAGGSA-N -1 0 362.448 -0.115 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)C(=O)[O-] ZINC000656008910 484536398 /nfs/dbraw/zinc/53/63/98/484536398.db2.gz OCNYGMORCNDXEC-GFCCVEGCSA-N -1 0 365.390 -0.932 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)C(=O)[O-] ZINC000656008911 484536423 /nfs/dbraw/zinc/53/64/23/484536423.db2.gz OCNYGMORCNDXEC-LBPRGKRZSA-N -1 0 365.390 -0.932 20 0 FBADRM CNC(=O)CCOC1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000656008999 484537758 /nfs/dbraw/zinc/53/77/58/484537758.db2.gz PIZGUDBKQXBPBV-CYBMUJFWSA-N -1 0 371.434 -0.397 20 0 FBADRM CNC(=O)CCOC1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1 ZINC000656009000 484538139 /nfs/dbraw/zinc/53/81/39/484538139.db2.gz PIZGUDBKQXBPBV-ZDUSSCGKSA-N -1 0 371.434 -0.397 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)C(=O)[O-] ZINC000656009085 484537918 /nfs/dbraw/zinc/53/79/18/484537918.db2.gz RFLVYCIIBFTLEQ-NEPJUHHUSA-N -1 0 354.407 -0.478 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)C(=O)[O-] ZINC000656009086 484538470 /nfs/dbraw/zinc/53/84/70/484538470.db2.gz RFLVYCIIBFTLEQ-NWDGAFQWSA-N -1 0 354.407 -0.478 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)C(=O)[O-] ZINC000656009087 484537570 /nfs/dbraw/zinc/53/75/70/484537570.db2.gz RFLVYCIIBFTLEQ-RYUDHWBXSA-N -1 0 354.407 -0.478 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)C(=O)[O-] ZINC000656009088 484538301 /nfs/dbraw/zinc/53/83/01/484538301.db2.gz RFLVYCIIBFTLEQ-VXGBXAGGSA-N -1 0 354.407 -0.478 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1)C(=O)[O-] ZINC000656009165 484537973 /nfs/dbraw/zinc/53/79/73/484537973.db2.gz UHDXCWMDYWCZNL-GFCCVEGCSA-N -1 0 367.381 -0.263 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1)C(=O)[O-] ZINC000656009166 484538425 /nfs/dbraw/zinc/53/84/25/484538425.db2.gz UHDXCWMDYWCZNL-LBPRGKRZSA-N -1 0 367.381 -0.263 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC(N2CCCNC2=O)CC1)C(=O)[O-] ZINC000656009613 484537767 /nfs/dbraw/zinc/53/77/67/484537767.db2.gz DUNCUAHZUKUHII-CYBMUJFWSA-N -1 0 368.434 -0.134 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC(N2CCCNC2=O)CC1)C(=O)[O-] ZINC000656009614 484538068 /nfs/dbraw/zinc/53/80/68/484538068.db2.gz DUNCUAHZUKUHII-ZDUSSCGKSA-N -1 0 368.434 -0.134 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000656009675 484537781 /nfs/dbraw/zinc/53/77/81/484537781.db2.gz YZHBJYRCJWSPGI-CHWSQXEVSA-N -1 0 369.418 -0.691 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000656009676 484538393 /nfs/dbraw/zinc/53/83/93/484538393.db2.gz YZHBJYRCJWSPGI-OLZOCXBDSA-N -1 0 369.418 -0.691 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000656009677 484537987 /nfs/dbraw/zinc/53/79/87/484537987.db2.gz YZHBJYRCJWSPGI-QWHCGFSZSA-N -1 0 369.418 -0.691 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000656009678 484538096 /nfs/dbraw/zinc/53/80/96/484538096.db2.gz YZHBJYRCJWSPGI-STQMWFEESA-N -1 0 369.418 -0.691 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCc2nn(C)c(=O)cc2C1)C(=O)[O-] ZINC000656009692 484537557 /nfs/dbraw/zinc/53/75/57/484537557.db2.gz ZQHYQTCNMDCBPX-LLVKDONJSA-N -1 0 350.375 -0.862 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCc2nn(C)c(=O)cc2C1)C(=O)[O-] ZINC000656009693 484538114 /nfs/dbraw/zinc/53/81/14/484538114.db2.gz ZQHYQTCNMDCBPX-NSHDSACASA-N -1 0 350.375 -0.862 20 0 FBADRM COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC000656009758 484538443 /nfs/dbraw/zinc/53/84/43/484538443.db2.gz GDLOFKHWUQEVOB-BFHYXJOUSA-N -1 0 374.434 -0.668 20 0 FBADRM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1 ZINC000656009759 484538418 /nfs/dbraw/zinc/53/84/18/484538418.db2.gz GDLOFKHWUQEVOB-MCIONIFRSA-N -1 0 374.434 -0.668 20 0 FBADRM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC000656009760 484537744 /nfs/dbraw/zinc/53/77/44/484537744.db2.gz GDLOFKHWUQEVOB-MGPQQGTHSA-N -1 0 374.434 -0.668 20 0 FBADRM COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1 ZINC000656009761 484538164 /nfs/dbraw/zinc/53/81/64/484538164.db2.gz GDLOFKHWUQEVOB-MJBXVCDLSA-N -1 0 374.434 -0.668 20 0 FBADRM Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000656010197 484537831 /nfs/dbraw/zinc/53/78/31/484537831.db2.gz LHOSDCHOUUUYCU-CYBMUJFWSA-N -1 0 363.418 -0.093 20 0 FBADRM Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1 ZINC000656010198 484538184 /nfs/dbraw/zinc/53/81/84/484538184.db2.gz LHOSDCHOUUUYCU-ZDUSSCGKSA-N -1 0 363.418 -0.093 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)C(=O)[O-] ZINC000656010321 484537545 /nfs/dbraw/zinc/53/75/45/484537545.db2.gz LVLKBEKTAKBBDS-SECBINFHSA-N -1 0 370.435 -0.758 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)C(=O)[O-] ZINC000656010322 484538290 /nfs/dbraw/zinc/53/82/90/484538290.db2.gz LVLKBEKTAKBBDS-VIFPVBQESA-N -1 0 370.435 -0.758 20 0 FBADRM CCCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000656010558 484537992 /nfs/dbraw/zinc/53/79/92/484537992.db2.gz DIMFZIZGORRCGN-NEPJUHHUSA-N -1 0 362.448 -0.115 20 0 FBADRM CCCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000656010559 484538108 /nfs/dbraw/zinc/53/81/08/484538108.db2.gz DIMFZIZGORRCGN-NWDGAFQWSA-N -1 0 362.448 -0.115 20 0 FBADRM CCCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000656010560 484538168 /nfs/dbraw/zinc/53/81/68/484538168.db2.gz DIMFZIZGORRCGN-RYUDHWBXSA-N -1 0 362.448 -0.115 20 0 FBADRM CCCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000656010561 484537861 /nfs/dbraw/zinc/53/78/61/484537861.db2.gz DIMFZIZGORRCGN-VXGBXAGGSA-N -1 0 362.448 -0.115 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1)C(=O)[O-] ZINC000656010600 484538030 /nfs/dbraw/zinc/53/80/30/484538030.db2.gz NWPUUMJRBUHMLQ-CYBMUJFWSA-N -1 0 351.407 -0.458 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1)C(=O)[O-] ZINC000656010602 484538332 /nfs/dbraw/zinc/53/83/32/484538332.db2.gz NWPUUMJRBUHMLQ-ZDUSSCGKSA-N -1 0 351.407 -0.458 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC(Cn2ccnn2)CC1)C(=O)[O-] ZINC000656010606 484538221 /nfs/dbraw/zinc/53/82/21/484538221.db2.gz NYKBCYGLBIPLPR-CYBMUJFWSA-N -1 0 351.407 -0.010 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC(Cn2ccnn2)CC1)C(=O)[O-] ZINC000656010607 484538371 /nfs/dbraw/zinc/53/83/71/484538371.db2.gz NYKBCYGLBIPLPR-ZDUSSCGKSA-N -1 0 351.407 -0.010 20 0 FBADRM CCS(=O)(=O)C1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000656010904 484539872 /nfs/dbraw/zinc/53/98/72/484539872.db2.gz HKBJZNSBHDTEIW-GFCCVEGCSA-N -1 0 362.448 -0.115 20 0 FBADRM CCS(=O)(=O)C1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1 ZINC000656010905 484538942 /nfs/dbraw/zinc/53/89/42/484538942.db2.gz HKBJZNSBHDTEIW-LBPRGKRZSA-N -1 0 362.448 -0.115 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000656011028 484539893 /nfs/dbraw/zinc/53/98/93/484539893.db2.gz HSKZZAMAZJFJNE-MRVPVSSYSA-N -1 0 353.297 -0.350 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000656011029 484539560 /nfs/dbraw/zinc/53/95/60/484539560.db2.gz HSKZZAMAZJFJNE-QMMMGPOBSA-N -1 0 353.297 -0.350 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000656011387 484537662 /nfs/dbraw/zinc/53/76/62/484537662.db2.gz ZQRYVVKNCDYTKL-CYBMUJFWSA-N -1 0 368.434 -0.181 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000656011388 484537582 /nfs/dbraw/zinc/53/75/82/484537582.db2.gz ZQRYVVKNCDYTKL-ZDUSSCGKSA-N -1 0 368.434 -0.181 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC000656011574 484538386 /nfs/dbraw/zinc/53/83/86/484538386.db2.gz NCGMTZOSILFWHF-NEPJUHHUSA-N -1 0 362.448 -0.115 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCCC[C@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC000656011575 484538232 /nfs/dbraw/zinc/53/82/32/484538232.db2.gz NCGMTZOSILFWHF-NWDGAFQWSA-N -1 0 362.448 -0.115 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC000656011576 484538325 /nfs/dbraw/zinc/53/83/25/484538325.db2.gz NCGMTZOSILFWHF-RYUDHWBXSA-N -1 0 362.448 -0.115 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCCC[C@@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC000656011577 484537797 /nfs/dbraw/zinc/53/77/97/484537797.db2.gz NCGMTZOSILFWHF-VXGBXAGGSA-N -1 0 362.448 -0.115 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC2(CCN(C)C2=O)CC1)C(=O)[O-] ZINC000656011644 484538174 /nfs/dbraw/zinc/53/81/74/484538174.db2.gz OLSPYNWQUNUFKR-GFCCVEGCSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC2(CCN(C)C2=O)CC1)C(=O)[O-] ZINC000656011645 484538147 /nfs/dbraw/zinc/53/81/47/484538147.db2.gz OLSPYNWQUNUFKR-LBPRGKRZSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)C(=O)[O-] ZINC000656011742 484537840 /nfs/dbraw/zinc/53/78/40/484537840.db2.gz QHEIPBVSFIQCGQ-CHWSQXEVSA-N -1 0 357.451 -0.237 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)C(=O)[O-] ZINC000656011743 484538256 /nfs/dbraw/zinc/53/82/56/484538256.db2.gz QHEIPBVSFIQCGQ-OLZOCXBDSA-N -1 0 357.451 -0.237 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1)C(=O)[O-] ZINC000656011744 484538311 /nfs/dbraw/zinc/53/83/11/484538311.db2.gz QHEIPBVSFIQCGQ-QWHCGFSZSA-N -1 0 357.451 -0.237 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1)C(=O)[O-] ZINC000656011745 484538151 /nfs/dbraw/zinc/53/81/51/484538151.db2.gz QHEIPBVSFIQCGQ-STQMWFEESA-N -1 0 357.451 -0.237 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C)C(=O)[O-] ZINC000656011904 484538401 /nfs/dbraw/zinc/53/84/01/484538401.db2.gz UVJHVZSWNQFNLS-CHWSQXEVSA-N -1 0 357.451 -0.237 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C)C(=O)[O-] ZINC000656011905 484538451 /nfs/dbraw/zinc/53/84/51/484538451.db2.gz UVJHVZSWNQFNLS-OLZOCXBDSA-N -1 0 357.451 -0.237 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)C(=O)[O-] ZINC000656011906 484538039 /nfs/dbraw/zinc/53/80/39/484538039.db2.gz UVJHVZSWNQFNLS-QWHCGFSZSA-N -1 0 357.451 -0.237 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)C(=O)[O-] ZINC000656011907 484537805 /nfs/dbraw/zinc/53/78/05/484537805.db2.gz UVJHVZSWNQFNLS-STQMWFEESA-N -1 0 357.451 -0.237 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1)C(=O)[O-] ZINC000656012000 484538249 /nfs/dbraw/zinc/53/82/49/484538249.db2.gz XMBWJRPFFBLNFT-CYBMUJFWSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1)C(=O)[O-] ZINC000656012001 484537872 /nfs/dbraw/zinc/53/78/72/484537872.db2.gz XMBWJRPFFBLNFT-ZDUSSCGKSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000656012293 484539390 /nfs/dbraw/zinc/53/93/90/484539390.db2.gz BMJYUHCBIASNOS-KBPBESRZSA-N -1 0 355.435 -0.217 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000656012295 484539352 /nfs/dbraw/zinc/53/93/52/484539352.db2.gz BMJYUHCBIASNOS-KGLIPLIRSA-N -1 0 355.435 -0.217 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000656012297 484539419 /nfs/dbraw/zinc/53/94/19/484539419.db2.gz BMJYUHCBIASNOS-UONOGXRCSA-N -1 0 355.435 -0.217 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000656012300 484539757 /nfs/dbraw/zinc/53/97/57/484539757.db2.gz BMJYUHCBIASNOS-ZIAGYGMSSA-N -1 0 355.435 -0.217 20 0 FBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000656012653 484539742 /nfs/dbraw/zinc/53/97/42/484539742.db2.gz GELKYLYUJIQLNH-GHMZBOCLSA-N -1 0 350.437 -0.259 20 0 FBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000656012654 484539556 /nfs/dbraw/zinc/53/95/56/484539556.db2.gz GELKYLYUJIQLNH-MNOVXSKESA-N -1 0 350.437 -0.259 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000656012655 484539541 /nfs/dbraw/zinc/53/95/41/484539541.db2.gz GELKYLYUJIQLNH-QWRGUYRKSA-N -1 0 350.437 -0.259 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000656012656 484539024 /nfs/dbraw/zinc/53/90/24/484539024.db2.gz GELKYLYUJIQLNH-WDEREUQCSA-N -1 0 350.437 -0.259 20 0 FBADRM CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000656012677 484539153 /nfs/dbraw/zinc/53/91/53/484539153.db2.gz GMYGAQIVJHOEHB-CYBMUJFWSA-N -1 0 370.450 -0.872 20 0 FBADRM CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1 ZINC000656012678 484539510 /nfs/dbraw/zinc/53/95/10/484539510.db2.gz GMYGAQIVJHOEHB-ZDUSSCGKSA-N -1 0 370.450 -0.872 20 0 FBADRM CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)[C@H](C)CS(C)(=O)=O ZINC000656012987 484539184 /nfs/dbraw/zinc/53/91/84/484539184.db2.gz KPCYOMPZBHOMRE-GHMZBOCLSA-N -1 0 350.437 -0.259 20 0 FBADRM CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)[C@H](C)CS(C)(=O)=O ZINC000656012988 484539457 /nfs/dbraw/zinc/53/94/57/484539457.db2.gz KPCYOMPZBHOMRE-MNOVXSKESA-N -1 0 350.437 -0.259 20 0 FBADRM CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)[C@@H](C)CS(C)(=O)=O ZINC000656012989 484539725 /nfs/dbraw/zinc/53/97/25/484539725.db2.gz KPCYOMPZBHOMRE-QWRGUYRKSA-N -1 0 350.437 -0.259 20 0 FBADRM CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)[C@@H](C)CS(C)(=O)=O ZINC000656012990 484539404 /nfs/dbraw/zinc/53/94/04/484539404.db2.gz KPCYOMPZBHOMRE-WDEREUQCSA-N -1 0 350.437 -0.259 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1)C(=O)[O-] ZINC000656013004 484539669 /nfs/dbraw/zinc/53/96/69/484539669.db2.gz LDEDZHJFULFXRX-KBPBESRZSA-N -1 0 355.435 -0.217 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1)C(=O)[O-] ZINC000656013005 484539037 /nfs/dbraw/zinc/53/90/37/484539037.db2.gz LDEDZHJFULFXRX-KGLIPLIRSA-N -1 0 355.435 -0.217 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1)C(=O)[O-] ZINC000656013006 484539273 /nfs/dbraw/zinc/53/92/73/484539273.db2.gz LDEDZHJFULFXRX-UONOGXRCSA-N -1 0 355.435 -0.217 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1)C(=O)[O-] ZINC000656013007 484539516 /nfs/dbraw/zinc/53/95/16/484539516.db2.gz LDEDZHJFULFXRX-ZIAGYGMSSA-N -1 0 355.435 -0.217 20 0 FBADRM COCC(=O)NC1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000656013028 484539787 /nfs/dbraw/zinc/53/97/87/484539787.db2.gz LKQDJMCZGZAGIO-GFCCVEGCSA-N -1 0 357.407 -0.787 20 0 FBADRM COCC(=O)NC1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1 ZINC000656013030 484538930 /nfs/dbraw/zinc/53/89/30/484538930.db2.gz LKQDJMCZGZAGIO-LBPRGKRZSA-N -1 0 357.407 -0.787 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC(Cn2cncn2)CC1)C(=O)[O-] ZINC000656013226 484539899 /nfs/dbraw/zinc/53/98/99/484539899.db2.gz LSDXIFKUKVOTQF-CYBMUJFWSA-N -1 0 351.407 -0.010 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC(Cn2cncn2)CC1)C(=O)[O-] ZINC000656013227 484539572 /nfs/dbraw/zinc/53/95/72/484539572.db2.gz LSDXIFKUKVOTQF-ZDUSSCGKSA-N -1 0 351.407 -0.010 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC(N2CCNC2=O)CC1)C(=O)[O-] ZINC000656013932 484539436 /nfs/dbraw/zinc/53/94/36/484539436.db2.gz RZUNNQOPOVBFON-GFCCVEGCSA-N -1 0 354.407 -0.524 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC(N2CCNC2=O)CC1)C(=O)[O-] ZINC000656013933 484539504 /nfs/dbraw/zinc/53/95/04/484539504.db2.gz RZUNNQOPOVBFON-LBPRGKRZSA-N -1 0 354.407 -0.524 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)C(=O)[O-] ZINC000656013935 484539583 /nfs/dbraw/zinc/53/95/83/484539583.db2.gz SADKTLRJMCPDQT-AXFHLTTASA-N -1 0 350.437 -0.261 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)C(=O)[O-] ZINC000656013936 484539171 /nfs/dbraw/zinc/53/91/71/484539171.db2.gz SADKTLRJMCPDQT-DCAQKATOSA-N -1 0 350.437 -0.261 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)C(=O)[O-] ZINC000656013937 484539608 /nfs/dbraw/zinc/53/96/08/484539608.db2.gz SADKTLRJMCPDQT-MXWKQRLJSA-N -1 0 350.437 -0.261 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)C(=O)[O-] ZINC000656013938 484539193 /nfs/dbraw/zinc/53/91/93/484539193.db2.gz SADKTLRJMCPDQT-VWYCJHECSA-N -1 0 350.437 -0.261 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1)C(=O)[O-] ZINC000656014124 484539641 /nfs/dbraw/zinc/53/96/41/484539641.db2.gz RTLIZFUZHFYICI-IHRRRGAJSA-N -1 0 366.418 -0.573 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1)C(=O)[O-] ZINC000656014126 484539206 /nfs/dbraw/zinc/53/92/06/484539206.db2.gz RTLIZFUZHFYICI-MJBXVCDLSA-N -1 0 366.418 -0.573 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O)C(=O)[O-] ZINC000656014323 484539733 /nfs/dbraw/zinc/53/97/33/484539733.db2.gz SNOWQUDUXDAWLU-JTQLQIEISA-N -1 0 368.390 -0.998 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O)C(=O)[O-] ZINC000656014324 484539289 /nfs/dbraw/zinc/53/92/89/484539289.db2.gz SNOWQUDUXDAWLU-SNVBAGLBSA-N -1 0 368.390 -0.998 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N(C)Cc1cnc(N(C)C)nc1)C(=O)[O-] ZINC000656014546 484539060 /nfs/dbraw/zinc/53/90/60/484539060.db2.gz WPLCLCAZRMBRLQ-GFCCVEGCSA-N -1 0 351.407 -0.026 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N(C)Cc1cnc(N(C)C)nc1)C(=O)[O-] ZINC000656014547 484539906 /nfs/dbraw/zinc/53/99/06/484539906.db2.gz WPLCLCAZRMBRLQ-LBPRGKRZSA-N -1 0 351.407 -0.026 20 0 FBADRM CCN1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1=O ZINC000656015652 484539597 /nfs/dbraw/zinc/53/95/97/484539597.db2.gz FNRNFZHTEUNJMY-GRYCIOLGSA-N -1 0 353.419 -0.071 20 0 FBADRM CCN1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1=O ZINC000656015653 484538980 /nfs/dbraw/zinc/53/89/80/484538980.db2.gz FNRNFZHTEUNJMY-SDDRHHMPSA-N -1 0 353.419 -0.071 20 0 FBADRM C[C@@H](NC(=O)C(=O)NCC(=O)NCC1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656015838 484539719 /nfs/dbraw/zinc/53/97/19/484539719.db2.gz KWKJEZANTRKHFA-ADEWGFFLSA-N -1 0 353.419 -0.120 20 0 FBADRM C[C@H](NC(=O)C(=O)NCC(=O)NCC1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656015839 484539688 /nfs/dbraw/zinc/53/96/88/484539688.db2.gz KWKJEZANTRKHFA-ZMLRMANQSA-N -1 0 353.419 -0.120 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656016079 484539217 /nfs/dbraw/zinc/53/92/17/484539217.db2.gz RMQXQWCEIAUENN-FIQHERPVSA-N -1 0 366.418 -0.526 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656016080 484539083 /nfs/dbraw/zinc/53/90/83/484539083.db2.gz RMQXQWCEIAUENN-NOOOWODRSA-N -1 0 366.418 -0.526 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656016081 484539410 /nfs/dbraw/zinc/53/94/10/484539410.db2.gz RMQXQWCEIAUENN-WHOHXGKFSA-N -1 0 366.418 -0.526 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656016082 484539445 /nfs/dbraw/zinc/53/94/45/484539445.db2.gz RMQXQWCEIAUENN-WISYIIOYSA-N -1 0 366.418 -0.526 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CCO1 ZINC000656016909 484540328 /nfs/dbraw/zinc/54/03/28/484540328.db2.gz GVXRRNPJYRWZHX-KXNHARMFSA-N -1 0 369.418 -0.789 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CCO1 ZINC000656016910 484541096 /nfs/dbraw/zinc/54/10/96/484541096.db2.gz GVXRRNPJYRWZHX-NNYUYHANSA-N -1 0 369.418 -0.789 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CCO1 ZINC000656016911 484541181 /nfs/dbraw/zinc/54/11/81/484541181.db2.gz GVXRRNPJYRWZHX-WRWGMCAJSA-N -1 0 369.418 -0.789 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CCO1 ZINC000656016912 484540914 /nfs/dbraw/zinc/54/09/14/484540914.db2.gz GVXRRNPJYRWZHX-YFKTTZPYSA-N -1 0 369.418 -0.789 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656018577 484540956 /nfs/dbraw/zinc/54/09/56/484540956.db2.gz DGZZFBROCMTYPR-BHGXRVDKSA-N -1 0 353.419 -0.038 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CC[C@](C)(C(N)=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656018578 484540860 /nfs/dbraw/zinc/54/08/60/484540860.db2.gz DGZZFBROCMTYPR-NOTQWWDFSA-N -1 0 353.419 -0.038 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CC[C@](C)(C(N)=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656018579 484541062 /nfs/dbraw/zinc/54/10/62/484541062.db2.gz DGZZFBROCMTYPR-SPGKTFTMSA-N -1 0 353.419 -0.038 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656018580 484540902 /nfs/dbraw/zinc/54/09/02/484540902.db2.gz DGZZFBROCMTYPR-WMEBDMIVSA-N -1 0 353.419 -0.038 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CC[C@H](S(C)(=O)=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656018618 484540392 /nfs/dbraw/zinc/54/03/92/484540392.db2.gz GFCWWHMUTHYQOJ-FIQHERPVSA-N -1 0 374.459 -0.117 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CC[C@H](S(C)(=O)=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656018619 484540772 /nfs/dbraw/zinc/54/07/72/484540772.db2.gz GFCWWHMUTHYQOJ-NOOOWODRSA-N -1 0 374.459 -0.117 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CC[C@@H](S(C)(=O)=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656018620 484541169 /nfs/dbraw/zinc/54/11/69/484541169.db2.gz GFCWWHMUTHYQOJ-WHOHXGKFSA-N -1 0 374.459 -0.117 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CC[C@@H](S(C)(=O)=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656018621 484541127 /nfs/dbraw/zinc/54/11/27/484541127.db2.gz GFCWWHMUTHYQOJ-WISYIIOYSA-N -1 0 374.459 -0.117 20 0 FBADRM C[C@H](O)[C@H]1CN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CCO1 ZINC000656018898 484540908 /nfs/dbraw/zinc/54/09/08/484540908.db2.gz FDJYYAGZJJNBLH-JZRPKSSGSA-N -1 0 356.419 -0.154 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCO[C@@H]([C@H](C)O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656018899 484541333 /nfs/dbraw/zinc/54/13/33/484541333.db2.gz FDJYYAGZJJNBLH-KSSYENDESA-N -1 0 356.419 -0.154 20 0 FBADRM C[C@H](O)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CCO1 ZINC000656018900 484541207 /nfs/dbraw/zinc/54/12/07/484541207.db2.gz FDJYYAGZJJNBLH-NWBUJAPZSA-N -1 0 356.419 -0.154 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCO[C@H]([C@H](C)O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656018901 484540917 /nfs/dbraw/zinc/54/09/17/484540917.db2.gz FDJYYAGZJJNBLH-SJHCENCUSA-N -1 0 356.419 -0.154 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CCN(C)C(=O)[C@@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656019001 484540980 /nfs/dbraw/zinc/54/09/80/484540980.db2.gz JMBHTQZIGVJEBR-FIQHERPVSA-N -1 0 353.419 -0.073 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCN(C)C(=O)[C@@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656019004 484541110 /nfs/dbraw/zinc/54/11/10/484541110.db2.gz JMBHTQZIGVJEBR-NOOOWODRSA-N -1 0 353.419 -0.073 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CCN(C)C(=O)[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656019005 484541031 /nfs/dbraw/zinc/54/10/31/484541031.db2.gz JMBHTQZIGVJEBR-WHOHXGKFSA-N -1 0 353.419 -0.073 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCN(C)C(=O)[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656019007 484540840 /nfs/dbraw/zinc/54/08/40/484540840.db2.gz JMBHTQZIGVJEBR-WISYIIOYSA-N -1 0 353.419 -0.073 20 0 FBADRM COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000656019253 484540857 /nfs/dbraw/zinc/54/08/57/484540857.db2.gz IQCHGJMOPJWIEQ-AAEUAGOBSA-N -1 0 364.354 -0.053 20 0 FBADRM COc1cccc2c1OCC[C@H]2NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000656019260 484541153 /nfs/dbraw/zinc/54/11/53/484541153.db2.gz IQCHGJMOPJWIEQ-DGCLKSJQSA-N -1 0 364.354 -0.053 20 0 FBADRM COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000656019262 484540703 /nfs/dbraw/zinc/54/07/03/484540703.db2.gz IQCHGJMOPJWIEQ-WCQYABFASA-N -1 0 364.354 -0.053 20 0 FBADRM COc1cccc2c1OCC[C@H]2NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000656019264 484541242 /nfs/dbraw/zinc/54/12/42/484541242.db2.gz IQCHGJMOPJWIEQ-YPMHNXCESA-N -1 0 364.354 -0.053 20 0 FBADRM C[C@H](NC(=O)C(=O)NC[C@@H]1CCCNC1=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656019654 484540437 /nfs/dbraw/zinc/54/04/37/484540437.db2.gz LYLSZIYWFMSVBT-FIQHERPVSA-N -1 0 353.419 -0.120 20 0 FBADRM C[C@@H](NC(=O)C(=O)NC[C@@H]1CCCNC1=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656019655 484540873 /nfs/dbraw/zinc/54/08/73/484540873.db2.gz LYLSZIYWFMSVBT-NOOOWODRSA-N -1 0 353.419 -0.120 20 0 FBADRM C[C@H](NC(=O)C(=O)NC[C@H]1CCCNC1=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656019656 484541146 /nfs/dbraw/zinc/54/11/46/484541146.db2.gz LYLSZIYWFMSVBT-WHOHXGKFSA-N -1 0 353.419 -0.120 20 0 FBADRM C[C@@H](NC(=O)C(=O)NC[C@H]1CCCNC1=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656019657 484540824 /nfs/dbraw/zinc/54/08/24/484540824.db2.gz LYLSZIYWFMSVBT-WISYIIOYSA-N -1 0 353.419 -0.120 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CC[C@@H](NC(N)=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656019928 484541139 /nfs/dbraw/zinc/54/11/39/484541139.db2.gz OLLWMJXHQGSLFQ-CHWFTXMASA-N -1 0 354.407 -0.493 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CC[C@H](NC(N)=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656019931 484540604 /nfs/dbraw/zinc/54/06/04/484540604.db2.gz OLLWMJXHQGSLFQ-VPOLOUISSA-N -1 0 354.407 -0.493 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CC[C@H](NC(N)=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656019933 484541104 /nfs/dbraw/zinc/54/11/04/484541104.db2.gz OLLWMJXHQGSLFQ-XWLWVQCSSA-N -1 0 354.407 -0.493 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CC[C@@H](NC(N)=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656019934 484540985 /nfs/dbraw/zinc/54/09/85/484540985.db2.gz OLLWMJXHQGSLFQ-ZRUFSTJUSA-N -1 0 354.407 -0.493 20 0 FBADRM C[C@@H](NC(=O)C(=O)N(C)CCNC(=O)N(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656020401 484540479 /nfs/dbraw/zinc/54/04/79/484540479.db2.gz SBRFWRHFFXCJDB-GRYCIOLGSA-N -1 0 370.450 -0.032 20 0 FBADRM C[C@H](NC(=O)C(=O)N(C)CCNC(=O)N(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656020403 484540878 /nfs/dbraw/zinc/54/08/78/484540878.db2.gz SBRFWRHFFXCJDB-SDDRHHMPSA-N -1 0 370.450 -0.032 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CC[C@]2(CNC(=O)C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656020793 484540730 /nfs/dbraw/zinc/54/07/30/484540730.db2.gz WLILBBZAOIOCCC-FLMCSSBNSA-N -1 0 365.430 -0.023 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CC[C@@]2(CNC(=O)C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656020794 484540766 /nfs/dbraw/zinc/54/07/66/484540766.db2.gz WLILBBZAOIOCCC-FNNWNWGMSA-N -1 0 365.430 -0.023 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CC[C@]2(CNC(=O)C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656020795 484540313 /nfs/dbraw/zinc/54/03/13/484540313.db2.gz WLILBBZAOIOCCC-JKCQUFRZSA-N -1 0 365.430 -0.023 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CC[C@@]2(CNC(=O)C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656020796 484541121 /nfs/dbraw/zinc/54/11/21/484541121.db2.gz WLILBBZAOIOCCC-QPSSLKIMSA-N -1 0 365.430 -0.023 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656021132 484540399 /nfs/dbraw/zinc/54/03/99/484540399.db2.gz VFKQIQXDJBFNTQ-OBPIAQAESA-N -1 0 365.430 -0.025 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656021134 484542662 /nfs/dbraw/zinc/54/26/62/484542662.db2.gz VFKQIQXDJBFNTQ-UJPOAAIJSA-N -1 0 365.430 -0.025 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CC(=O)N(C)[C@@H](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656021221 484542078 /nfs/dbraw/zinc/54/20/78/484542078.db2.gz XBESRBCNWOZTPF-FIQHERPVSA-N -1 0 353.419 -0.073 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CC(=O)N(C)[C@H](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656021223 484542407 /nfs/dbraw/zinc/54/24/07/484542407.db2.gz XBESRBCNWOZTPF-NOOOWODRSA-N -1 0 353.419 -0.073 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CC(=O)N(C)[C@@H](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656021225 484541918 /nfs/dbraw/zinc/54/19/18/484541918.db2.gz XBESRBCNWOZTPF-WHOHXGKFSA-N -1 0 353.419 -0.073 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CC(=O)N(C)[C@H](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656021226 484541867 /nfs/dbraw/zinc/54/18/67/484541867.db2.gz XBESRBCNWOZTPF-WISYIIOYSA-N -1 0 353.419 -0.073 20 0 FBADRM C[C@H](NC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)O2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656021423 484542659 /nfs/dbraw/zinc/54/26/59/484542659.db2.gz ZCFSDYZBMXBVGO-IEECTRCBSA-N -1 0 354.403 -0.136 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)O2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656021424 484542642 /nfs/dbraw/zinc/54/26/42/484542642.db2.gz ZCFSDYZBMXBVGO-NAWOPXAZSA-N -1 0 354.403 -0.136 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1C[C@@H](C)O[C@H](CO)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656021454 484542219 /nfs/dbraw/zinc/54/22/19/484542219.db2.gz ZLHBJLCLPOMOHC-NAWOPXAZSA-N -1 0 356.419 -0.154 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656021455 484542747 /nfs/dbraw/zinc/54/27/47/484542747.db2.gz ZLHBJLCLPOMOHC-NJMOYASZSA-N -1 0 356.419 -0.154 20 0 FBADRM C[C@H](NC(=O)C(=O)N1C[C@@H](C)O[C@H](CO)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656021456 484542508 /nfs/dbraw/zinc/54/25/08/484542508.db2.gz ZLHBJLCLPOMOHC-QNWJLWSRSA-N -1 0 356.419 -0.154 20 0 FBADRM C[C@H](NC(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656021457 484542169 /nfs/dbraw/zinc/54/21/69/484542169.db2.gz ZLHBJLCLPOMOHC-RXGFPQBGSA-N -1 0 356.419 -0.154 20 0 FBADRM Cn1cnnc1N1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC1 ZINC000656102002 484574985 /nfs/dbraw/zinc/57/49/85/484574985.db2.gz ANOWACRTFBGJJI-UHFFFAOYSA-N -1 0 364.406 -0.823 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C[C@@H]1C(=O)[O-] ZINC000656102325 484574442 /nfs/dbraw/zinc/57/44/42/484574442.db2.gz IPVJSOHVRBVBAA-NEPJUHHUSA-N -1 0 364.406 -0.967 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C[C@H]1C(=O)[O-] ZINC000656102326 484575072 /nfs/dbraw/zinc/57/50/72/484575072.db2.gz IPVJSOHVRBVBAA-NWDGAFQWSA-N -1 0 364.406 -0.967 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C[C@@H]1C(=O)[O-] ZINC000656102327 484574396 /nfs/dbraw/zinc/57/43/96/484574396.db2.gz IPVJSOHVRBVBAA-RYUDHWBXSA-N -1 0 364.406 -0.967 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C[C@H]1C(=O)[O-] ZINC000656102328 484575116 /nfs/dbraw/zinc/57/51/16/484575116.db2.gz IPVJSOHVRBVBAA-VXGBXAGGSA-N -1 0 364.406 -0.967 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C1 ZINC000656102462 484574465 /nfs/dbraw/zinc/57/44/65/484574465.db2.gz LBSBXDZUDAKYLT-NEPJUHHUSA-N -1 0 364.406 -0.967 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C1 ZINC000656102463 484574600 /nfs/dbraw/zinc/57/46/00/484574600.db2.gz LBSBXDZUDAKYLT-NWDGAFQWSA-N -1 0 364.406 -0.967 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C1 ZINC000656102550 484574475 /nfs/dbraw/zinc/57/44/75/484574475.db2.gz LBSBXDZUDAKYLT-RYUDHWBXSA-N -1 0 364.406 -0.967 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C1 ZINC000656102551 484574634 /nfs/dbraw/zinc/57/46/34/484574634.db2.gz LBSBXDZUDAKYLT-VXGBXAGGSA-N -1 0 364.406 -0.967 20 0 FBADRM Cn1cnnc1N1CCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1 ZINC000656103074 484574622 /nfs/dbraw/zinc/57/46/22/484574622.db2.gz UOYOSXZDXUOJDR-GFCCVEGCSA-N -1 0 364.406 -0.823 20 0 FBADRM Cn1cnnc1N1CCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC1 ZINC000656103075 484574954 /nfs/dbraw/zinc/57/49/54/484574954.db2.gz UOYOSXZDXUOJDR-LBPRGKRZSA-N -1 0 364.406 -0.823 20 0 FBADRM O=C([O-])Cn1cc(CNS(=O)(=O)c2ccc3c(c2)C(=O)CC3)nn1 ZINC000656157241 484600184 /nfs/dbraw/zinc/60/01/84/484600184.db2.gz KCWCZQUGTQJNDV-UHFFFAOYSA-N -1 0 350.356 -0.030 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc2c(c1)C(=O)CC2 ZINC000656158233 484599572 /nfs/dbraw/zinc/59/95/72/484599572.db2.gz HQKVTRZROXJSFS-GFCCVEGCSA-N -1 0 373.408 -0.312 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc2c(c1)C(=O)CC2 ZINC000656158237 484600257 /nfs/dbraw/zinc/60/02/57/484600257.db2.gz HQKVTRZROXJSFS-LBPRGKRZSA-N -1 0 373.408 -0.312 20 0 FBADRM C[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000656158706 484599506 /nfs/dbraw/zinc/59/95/06/484599506.db2.gz DNSMQLHIWHVCHZ-JQWIXIFHSA-N -1 0 368.477 -0.075 20 0 FBADRM COc1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1F ZINC000656159560 484600114 /nfs/dbraw/zinc/60/01/14/484600114.db2.gz YPBWJRRVKMYLOY-MRVPVSSYSA-N -1 0 367.376 -0.293 20 0 FBADRM COc1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1F ZINC000656159566 484599802 /nfs/dbraw/zinc/59/98/02/484599802.db2.gz YPBWJRRVKMYLOY-QMMMGPOBSA-N -1 0 367.376 -0.293 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@@H]2CCC(=O)[O-])CC1 ZINC000656162139 484600395 /nfs/dbraw/zinc/60/03/95/484600395.db2.gz OAVHSPXGNJHAPX-LLVKDONJSA-N -1 0 369.465 -0.862 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])c1 ZINC000656163224 484599948 /nfs/dbraw/zinc/59/99/48/484599948.db2.gz RQIPCNFURFXRED-JTQLQIEISA-N -1 0 354.381 -0.314 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])c1 ZINC000656163225 484600074 /nfs/dbraw/zinc/60/00/74/484600074.db2.gz RQIPCNFURFXRED-SNVBAGLBSA-N -1 0 354.381 -0.314 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])cc1 ZINC000656163228 484600194 /nfs/dbraw/zinc/60/01/94/484600194.db2.gz RSMLLTGVNKKVOC-JTQLQIEISA-N -1 0 354.381 -0.314 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])cc1 ZINC000656163229 484599782 /nfs/dbraw/zinc/59/97/82/484599782.db2.gz RSMLLTGVNKKVOC-SNVBAGLBSA-N -1 0 354.381 -0.314 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])cnc21 ZINC000656163329 484600088 /nfs/dbraw/zinc/60/00/88/484600088.db2.gz VQOIBSWRBOXZON-MRVPVSSYSA-N -1 0 360.323 -0.875 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])cnc21 ZINC000656163330 484599898 /nfs/dbraw/zinc/59/98/98/484599898.db2.gz VQOIBSWRBOXZON-QMMMGPOBSA-N -1 0 360.323 -0.875 20 0 FBADRM O=C([O-])[C@@H](CCF)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000656163812 484600097 /nfs/dbraw/zinc/60/00/97/484600097.db2.gz BCCNIZHOLQEYAN-LLVKDONJSA-N -1 0 368.408 -0.303 20 0 FBADRM O=C([O-])[C@H](CCF)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000656163813 484600532 /nfs/dbraw/zinc/60/05/32/484600532.db2.gz BCCNIZHOLQEYAN-NSHDSACASA-N -1 0 368.408 -0.303 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@@H](CCF)C(=O)[O-])CC1 ZINC000656163829 484599743 /nfs/dbraw/zinc/59/97/43/484599743.db2.gz BWSLWRMWMDVPEV-JTQLQIEISA-N -1 0 360.429 -0.610 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@H](CCF)C(=O)[O-])CC1 ZINC000656163830 484599735 /nfs/dbraw/zinc/59/97/35/484599735.db2.gz BWSLWRMWMDVPEV-SNVBAGLBSA-N -1 0 360.429 -0.610 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])cc1C ZINC000656164069 484600312 /nfs/dbraw/zinc/60/03/12/484600312.db2.gz IAOATKXJHXUUHS-JTQLQIEISA-N -1 0 368.408 -0.006 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])cc1C ZINC000656164070 484600346 /nfs/dbraw/zinc/60/03/46/484600346.db2.gz IAOATKXJHXUUHS-SNVBAGLBSA-N -1 0 368.408 -0.006 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000656164844 484600081 /nfs/dbraw/zinc/60/00/81/484600081.db2.gz SBSYSDWKRGHSPX-YUMQZZPRSA-N -1 0 367.367 -0.054 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C[C@@H](OC)C1CC1)C(=O)[O-] ZINC000656166003 484600493 /nfs/dbraw/zinc/60/04/93/484600493.db2.gz BRFADGXRYYREOY-GHMZBOCLSA-N -1 0 372.465 -0.887 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C[C@H](OC)C1CC1)C(=O)[O-] ZINC000656166004 484599771 /nfs/dbraw/zinc/59/97/71/484599771.db2.gz BRFADGXRYYREOY-MNOVXSKESA-N -1 0 372.465 -0.887 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C[C@H](OC)C1CC1)C(=O)[O-] ZINC000656166005 484600471 /nfs/dbraw/zinc/60/04/71/484600471.db2.gz BRFADGXRYYREOY-QWRGUYRKSA-N -1 0 372.465 -0.887 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C[C@@H](OC)C1CC1)C(=O)[O-] ZINC000656166006 484599627 /nfs/dbraw/zinc/59/96/27/484599627.db2.gz BRFADGXRYYREOY-WDEREUQCSA-N -1 0 372.465 -0.887 20 0 FBADRM C[C@@H](CC1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1)C(=O)[O-] ZINC000656167681 484601697 /nfs/dbraw/zinc/60/16/97/484601697.db2.gz WDIZUKWSALIJJA-JTQLQIEISA-N -1 0 373.431 -0.405 20 0 FBADRM C[C@H](CC1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1)C(=O)[O-] ZINC000656167682 484601388 /nfs/dbraw/zinc/60/13/88/484601388.db2.gz WDIZUKWSALIJJA-SNVBAGLBSA-N -1 0 373.431 -0.405 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](C[C@H](OC)C2CC2)C(=O)[O-])cn1C ZINC000656168438 484601325 /nfs/dbraw/zinc/60/13/25/484601325.db2.gz HTLXZTCXUYWLSM-AAEUAGOBSA-N -1 0 373.431 -0.069 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](C[C@@H](OC)C2CC2)C(=O)[O-])cn1C ZINC000656168439 484601605 /nfs/dbraw/zinc/60/16/05/484601605.db2.gz HTLXZTCXUYWLSM-DGCLKSJQSA-N -1 0 373.431 -0.069 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](C[C@@H](OC)C2CC2)C(=O)[O-])cn1C ZINC000656168440 484601138 /nfs/dbraw/zinc/60/11/38/484601138.db2.gz HTLXZTCXUYWLSM-WCQYABFASA-N -1 0 373.431 -0.069 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](C[C@H](OC)C2CC2)C(=O)[O-])cn1C ZINC000656168441 484601107 /nfs/dbraw/zinc/60/11/07/484601107.db2.gz HTLXZTCXUYWLSM-YPMHNXCESA-N -1 0 373.431 -0.069 20 0 FBADRM CO[C@H](C[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-])C1CC1 ZINC000656170033 484601366 /nfs/dbraw/zinc/60/13/66/484601366.db2.gz TTYHBRKMDCTZNR-CMPLNLGQSA-N -1 0 359.404 -0.329 20 0 FBADRM CO[C@@H](C[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-])C1CC1 ZINC000656170047 484601472 /nfs/dbraw/zinc/60/14/72/484601472.db2.gz TTYHBRKMDCTZNR-JQWIXIFHSA-N -1 0 359.404 -0.329 20 0 FBADRM CO[C@@H](C[C@@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-])C1CC1 ZINC000656170048 484601550 /nfs/dbraw/zinc/60/15/50/484601550.db2.gz TTYHBRKMDCTZNR-PWSUYJOCSA-N -1 0 359.404 -0.329 20 0 FBADRM CO[C@H](C[C@@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-])C1CC1 ZINC000656170049 484601132 /nfs/dbraw/zinc/60/11/32/484601132.db2.gz TTYHBRKMDCTZNR-ZYHUDNBSSA-N -1 0 359.404 -0.329 20 0 FBADRM C[C@H](C[C@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1)C(=O)[O-] ZINC000656170113 484601628 /nfs/dbraw/zinc/60/16/28/484601628.db2.gz DTVRZNTUNNIYPF-GHMZBOCLSA-N -1 0 373.431 -0.405 20 0 FBADRM C[C@H](C[C@@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1)C(=O)[O-] ZINC000656170118 484601648 /nfs/dbraw/zinc/60/16/48/484601648.db2.gz DTVRZNTUNNIYPF-MNOVXSKESA-N -1 0 373.431 -0.405 20 0 FBADRM C[C@@H](C[C@@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1)C(=O)[O-] ZINC000656170119 484601802 /nfs/dbraw/zinc/60/18/02/484601802.db2.gz DTVRZNTUNNIYPF-QWRGUYRKSA-N -1 0 373.431 -0.405 20 0 FBADRM C[C@@H](C[C@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1)C(=O)[O-] ZINC000656170120 484601817 /nfs/dbraw/zinc/60/18/17/484601817.db2.gz DTVRZNTUNNIYPF-WDEREUQCSA-N -1 0 373.431 -0.405 20 0 FBADRM C[C@H](C[C@H]1CCCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000656171344 484602852 /nfs/dbraw/zinc/60/28/52/484602852.db2.gz XACLCMMYZHFDAM-GHMZBOCLSA-N -1 0 373.431 -0.262 20 0 FBADRM C[C@H](C[C@@H]1CCCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000656171345 484602702 /nfs/dbraw/zinc/60/27/02/484602702.db2.gz XACLCMMYZHFDAM-MNOVXSKESA-N -1 0 373.431 -0.262 20 0 FBADRM C[C@@H](C[C@@H]1CCCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000656171346 484602732 /nfs/dbraw/zinc/60/27/32/484602732.db2.gz XACLCMMYZHFDAM-QWRGUYRKSA-N -1 0 373.431 -0.262 20 0 FBADRM C[C@@H](C[C@H]1CCCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000656171347 484602715 /nfs/dbraw/zinc/60/27/15/484602715.db2.gz XACLCMMYZHFDAM-WDEREUQCSA-N -1 0 373.431 -0.262 20 0 FBADRM Cn1cnnc1N1CCN(S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC000656179747 484603812 /nfs/dbraw/zinc/60/38/12/484603812.db2.gz BUCYQYVHTQMQHW-UHFFFAOYSA-N -1 0 358.405 -0.519 20 0 FBADRM Cn1cnnc1N1CCN(S(=O)(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC000656180394 484604337 /nfs/dbraw/zinc/60/43/37/484604337.db2.gz IURBGCZNNYICGR-UHFFFAOYSA-N -1 0 352.376 -0.581 20 0 FBADRM Cn1cnnc1N1CCN(S(=O)(=O)c2cccnc2C(=O)[O-])CC1 ZINC000656181200 484604316 /nfs/dbraw/zinc/60/43/16/484604316.db2.gz RAABVWUISNAKNA-UHFFFAOYSA-N -1 0 352.376 -0.581 20 0 FBADRM Cc1oc(S(=O)(=O)N2CCN(c3nncn3C)CC2)cc1C(=O)[O-] ZINC000656181205 484603617 /nfs/dbraw/zinc/60/36/17/484603617.db2.gz RJFTZLXMIKLJHT-UHFFFAOYSA-N -1 0 355.376 -0.074 20 0 FBADRM Cn1cnnc1N1CCN(S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC000656181228 484604222 /nfs/dbraw/zinc/60/42/22/484604222.db2.gz TXFSKDAQQLGZLY-UHFFFAOYSA-N -1 0 358.405 -0.519 20 0 FBADRM Cc1ncc(S(=O)(=O)N2CCN(c3nncn3C)CC2)cc1C(=O)[O-] ZINC000656181398 484603511 /nfs/dbraw/zinc/60/35/11/484603511.db2.gz XLHLBNZYFRGGMU-UHFFFAOYSA-N -1 0 366.403 -0.272 20 0 FBADRM Cn1cnnc1N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000656181611 484604224 /nfs/dbraw/zinc/60/42/24/484604224.db2.gz ZNWGANOFOBCSIU-UHFFFAOYSA-N -1 0 352.376 -0.581 20 0 FBADRM CC(C)Oc1cncc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1 ZINC000656187419 484606912 /nfs/dbraw/zinc/60/69/12/484606912.db2.gz ZXLAAZZQYQGIIO-UHFFFAOYSA-N -1 0 355.376 -0.538 20 0 FBADRM C[C@H](CNC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)C(=O)[O-] ZINC000656231255 484615572 /nfs/dbraw/zinc/61/55/72/484615572.db2.gz CVQZQJMDHRWIPT-SECBINFHSA-N -1 0 363.374 -0.172 20 0 FBADRM C[C@@H](CNC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)C(=O)[O-] ZINC000656231256 484616271 /nfs/dbraw/zinc/61/62/71/484616271.db2.gz CVQZQJMDHRWIPT-VIFPVBQESA-N -1 0 363.374 -0.172 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccn(CC(=O)[O-])n2)n(C)c1 ZINC000656247200 484617480 /nfs/dbraw/zinc/61/74/80/484617480.db2.gz DZGQWMKCQJSCDJ-UHFFFAOYSA-N -1 0 355.376 -0.191 20 0 FBADRM C[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccn(C)n2)cc1 ZINC000656302612 484631286 /nfs/dbraw/zinc/63/12/86/484631286.db2.gz BUZWTTUAMMULIX-SNVBAGLBSA-N -1 0 374.444 -0.120 20 0 FBADRM C[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cn[nH]c2)cc1 ZINC000656302698 484630911 /nfs/dbraw/zinc/63/09/11/484630911.db2.gz VYIJCUSOPZGGPA-SECBINFHSA-N -1 0 360.417 -0.130 20 0 FBADRM C[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccnn2C)cc1 ZINC000656302901 484630492 /nfs/dbraw/zinc/63/04/92/484630492.db2.gz DYNDATISVCAPJZ-SNVBAGLBSA-N -1 0 374.444 -0.120 20 0 FBADRM C[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1 ZINC000656304221 484631567 /nfs/dbraw/zinc/63/15/67/484631567.db2.gz UGDRVXNZEUXVAK-MRVPVSSYSA-N -1 0 361.405 -0.735 20 0 FBADRM O=S(=O)([N-]c1nnc[nH]1)c1ccc(S(=O)(=O)N[C@@H]2CCOC2)cc1 ZINC000656365025 484656277 /nfs/dbraw/zinc/65/62/77/484656277.db2.gz WZDWQUFKBUSXII-SECBINFHSA-N -1 0 373.416 -0.327 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccnn2C)cc1 ZINC000656365218 484655735 /nfs/dbraw/zinc/65/57/35/484655735.db2.gz LKCLCEUMPFILKV-UHFFFAOYSA-N -1 0 374.444 -0.166 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCO3)cc2)n1 ZINC000656365472 484655920 /nfs/dbraw/zinc/65/59/20/484655920.db2.gz QQZAHFMKHKWXRR-UHFFFAOYSA-N -1 0 373.416 -0.058 20 0 FBADRM CCn1nccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)NCCO)cc1 ZINC000656365828 484655188 /nfs/dbraw/zinc/65/51/88/484655188.db2.gz PMWFGWGJWZUGJM-UHFFFAOYSA-N -1 0 374.444 -0.026 20 0 FBADRM Cc1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NCCO)cc2)n(C)n1 ZINC000656365847 484655493 /nfs/dbraw/zinc/65/54/93/484655493.db2.gz UEVBNPLKEKOBSX-UHFFFAOYSA-N -1 0 374.444 -0.200 20 0 FBADRM Cc1nc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NCCO)cc2)no1 ZINC000656365860 484655516 /nfs/dbraw/zinc/65/55/16/484655516.db2.gz YFIBBUPAVLXOFR-UHFFFAOYSA-N -1 0 362.389 -0.551 20 0 FBADRM O=S(=O)([N-]c1nnc[nH]1)c1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1 ZINC000656365978 484655378 /nfs/dbraw/zinc/65/53/78/484655378.db2.gz WZDWQUFKBUSXII-VIFPVBQESA-N -1 0 373.416 -0.327 20 0 FBADRM Cn1cc([N-]S(=O)(=O)c2cccc(S(=O)(=O)N3CCOC3)c2)nn1 ZINC000656372116 484657044 /nfs/dbraw/zinc/65/70/44/484657044.db2.gz SKKHWIWORKBJSL-UHFFFAOYSA-N -1 0 373.416 -0.406 20 0 FBADRM O=S(=O)([N-]c1nnc[nH]1)c1cccc(S(=O)(=O)N[C@@H]2CCOC2)c1 ZINC000656372430 484658186 /nfs/dbraw/zinc/65/81/86/484658186.db2.gz KSGAMKCNWCTKRA-SECBINFHSA-N -1 0 373.416 -0.327 20 0 FBADRM O=S(=O)([N-]c1nnc[nH]1)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1 ZINC000656372431 484657623 /nfs/dbraw/zinc/65/76/23/484657623.db2.gz KSGAMKCNWCTKRA-VIFPVBQESA-N -1 0 373.416 -0.327 20 0 FBADRM O=S(=O)([N-]c1nnc[nH]1)c1ccccc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000656373736 484657422 /nfs/dbraw/zinc/65/74/22/484657422.db2.gz VJOLGVQEZVVEBW-SECBINFHSA-N -1 0 373.416 -0.327 20 0 FBADRM O=S(=O)([N-]c1nnc[nH]1)c1ccccc1S(=O)(=O)N[C@H]1CCOC1 ZINC000656373737 484657491 /nfs/dbraw/zinc/65/74/91/484657491.db2.gz VJOLGVQEZVVEBW-VIFPVBQESA-N -1 0 373.416 -0.327 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(F)C2)nn1C ZINC000656375316 484658865 /nfs/dbraw/zinc/65/88/65/484658865.db2.gz AEEWIVIBGTUERX-UHFFFAOYSA-N -1 0 369.444 -0.371 20 0 FBADRM CC1(F)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)C1 ZINC000656375331 484659638 /nfs/dbraw/zinc/65/96/38/484659638.db2.gz BLPJCASWGQPHHW-UHFFFAOYSA-N -1 0 352.413 -0.018 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(F)C2)n1 ZINC000656375372 484659608 /nfs/dbraw/zinc/65/96/08/484659608.db2.gz GXZCJLGZNOEFGM-UHFFFAOYSA-N -1 0 355.417 -0.680 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(F)C2)no1 ZINC000656375423 484659295 /nfs/dbraw/zinc/65/92/95/484659295.db2.gz MIRMGLLKXWPWRS-UHFFFAOYSA-N -1 0 356.401 -0.117 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(F)C2)nnn1C ZINC000656375502 484659313 /nfs/dbraw/zinc/65/93/13/484659313.db2.gz UXJHEYQBCZWHMM-UHFFFAOYSA-N -1 0 369.444 -0.371 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(F)C2)n1 ZINC000656375538 484659677 /nfs/dbraw/zinc/65/96/77/484659677.db2.gz XWMIXMQJMNUISD-UHFFFAOYSA-N -1 0 354.429 -0.075 20 0 FBADRM C[C@H]1COCCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000656376911 484659273 /nfs/dbraw/zinc/65/92/73/484659273.db2.gz TWRKIJUJTSJRTD-JTQLQIEISA-N -1 0 367.453 -0.623 20 0 FBADRM C[C@@H]1COCCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000656376912 484659494 /nfs/dbraw/zinc/65/94/94/484659494.db2.gz TWRKIJUJTSJRTD-SNVBAGLBSA-N -1 0 367.453 -0.623 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(C)C2)nnn1C ZINC000656378018 484657454 /nfs/dbraw/zinc/65/74/54/484657454.db2.gz HBKXXVDIDJGUDM-UHFFFAOYSA-N -1 0 365.481 -0.073 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(C)C2)nn1C ZINC000656378047 484658251 /nfs/dbraw/zinc/65/82/51/484658251.db2.gz KXIFEMGRQRXZRA-UHFFFAOYSA-N -1 0 365.481 -0.073 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(C)C2)n1 ZINC000656378073 484657436 /nfs/dbraw/zinc/65/74/36/484657436.db2.gz OVYAEJUIMKOWMC-UHFFFAOYSA-N -1 0 351.454 -0.382 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC=CCC2)nn1C ZINC000656380078 484659159 /nfs/dbraw/zinc/65/91/59/484659159.db2.gz KOCGAFXBSVOIBW-UHFFFAOYSA-N -1 0 363.465 -0.153 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N2CC=CCC2)nnn1C ZINC000656380198 484659442 /nfs/dbraw/zinc/65/94/42/484659442.db2.gz ZTWMLGIRJFOUSW-UHFFFAOYSA-N -1 0 363.465 -0.153 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC1COCCOC1)[N-]c1ccon1 ZINC000656381346 484658883 /nfs/dbraw/zinc/65/88/83/484658883.db2.gz LKEPKFUXTGVBFO-UHFFFAOYSA-N -1 0 369.421 -0.859 20 0 FBADRM Cc1cc(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)[nH]n1 ZINC000656383060 484659064 /nfs/dbraw/zinc/65/90/64/484659064.db2.gz KCVBYTNFPSZRJX-UHFFFAOYSA-N -1 0 363.421 -0.042 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H](C)C(C)(C)O)no1 ZINC000656383385 484659586 /nfs/dbraw/zinc/65/95/86/484659586.db2.gz GUMFLLKHYAHNLJ-MRVPVSSYSA-N -1 0 370.453 -0.411 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C(C)(C)O)no1 ZINC000656383386 484658941 /nfs/dbraw/zinc/65/89/41/484658941.db2.gz GUMFLLKHYAHNLJ-QMMMGPOBSA-N -1 0 370.453 -0.411 20 0 FBADRM C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1)C(C)(C)O ZINC000656383388 484659686 /nfs/dbraw/zinc/65/96/86/484659686.db2.gz HOXXVQOXLGGPLP-MRVPVSSYSA-N -1 0 355.442 -0.985 20 0 FBADRM C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1)C(C)(C)O ZINC000656383389 484659217 /nfs/dbraw/zinc/65/92/17/484659217.db2.gz HOXXVQOXLGGPLP-QMMMGPOBSA-N -1 0 355.442 -0.985 20 0 FBADRM C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1)C(C)(C)O ZINC000656383407 484659469 /nfs/dbraw/zinc/65/94/69/484659469.db2.gz LLBIFYFFIFHMPF-SECBINFHSA-N -1 0 355.438 -0.115 20 0 FBADRM C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1)C(C)(C)O ZINC000656383408 484659144 /nfs/dbraw/zinc/65/91/44/484659144.db2.gz LLBIFYFFIFHMPF-VIFPVBQESA-N -1 0 355.438 -0.115 20 0 FBADRM C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1)C(C)(C)O ZINC000656383418 484658795 /nfs/dbraw/zinc/65/87/95/484658795.db2.gz NERMKBOYWQWBRK-JTQLQIEISA-N -1 0 366.465 -0.313 20 0 FBADRM C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1)C(C)(C)O ZINC000656383419 484659695 /nfs/dbraw/zinc/65/96/95/484659695.db2.gz NERMKBOYWQWBRK-SNVBAGLBSA-N -1 0 366.465 -0.313 20 0 FBADRM C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1)C(C)(C)O ZINC000656383420 484659186 /nfs/dbraw/zinc/65/91/86/484659186.db2.gz NEYPUSBUTHIMFD-SECBINFHSA-N -1 0 369.469 -0.974 20 0 FBADRM C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1)C(C)(C)O ZINC000656383421 484659512 /nfs/dbraw/zinc/65/95/12/484659512.db2.gz NEYPUSBUTHIMFD-VIFPVBQESA-N -1 0 369.469 -0.974 20 0 FBADRM C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nncs1)C(C)(C)O ZINC000656383484 484661656 /nfs/dbraw/zinc/66/16/56/484661656.db2.gz WSMXDXOLHBNPMS-MRVPVSSYSA-N -1 0 372.494 -0.251 20 0 FBADRM C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nncs1)C(C)(C)O ZINC000656383485 484661595 /nfs/dbraw/zinc/66/15/95/484661595.db2.gz WSMXDXOLHBNPMS-QMMMGPOBSA-N -1 0 372.494 -0.251 20 0 FBADRM Cc1occc1CNS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000656383486 484661852 /nfs/dbraw/zinc/66/18/52/484661852.db2.gz WXTOMCZULVQNNL-UHFFFAOYSA-N -1 0 363.421 -0.042 20 0 FBADRM C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1)C(C)(C)O ZINC000656383489 484660541 /nfs/dbraw/zinc/66/05/41/484660541.db2.gz WZHYGIXPKQECKK-JTQLQIEISA-N -1 0 368.481 -0.369 20 0 FBADRM C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1)C(C)(C)O ZINC000656383490 484660219 /nfs/dbraw/zinc/66/02/19/484660219.db2.gz WZHYGIXPKQECKK-SNVBAGLBSA-N -1 0 368.481 -0.369 20 0 FBADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)(F)F)nn1 ZINC000656383853 484661138 /nfs/dbraw/zinc/66/11/38/484661138.db2.gz PJTFRWGMTOTDIY-UHFFFAOYSA-N -1 0 361.396 -0.479 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC=CCC2)n1 ZINC000656386235 484660746 /nfs/dbraw/zinc/66/07/46/484660746.db2.gz QHNUJLYHDCQZTO-UHFFFAOYSA-N -1 0 363.465 -0.071 20 0 FBADRM CC1(C)CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000656387829 484661344 /nfs/dbraw/zinc/66/13/44/484661344.db2.gz QNFWIWHCSDHPDO-UHFFFAOYSA-N -1 0 351.454 -0.002 20 0 FBADRM CC1(F)CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000656391342 484662902 /nfs/dbraw/zinc/66/29/02/484662902.db2.gz AQRCWHSVRLLOPM-UHFFFAOYSA-N -1 0 355.417 -0.300 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C)(F)C2)n1 ZINC000656391702 484663386 /nfs/dbraw/zinc/66/33/86/484663386.db2.gz XJYMIZHSSLSHOP-UHFFFAOYSA-N -1 0 369.444 -0.289 20 0 FBADRM CCNC(=O)Cn1cc(CNS(=O)(=O)c2cccc(C(=O)[O-])c2)nn1 ZINC000656444490 484664412 /nfs/dbraw/zinc/66/44/12/484664412.db2.gz GHTJVYFNOTXXCJ-UHFFFAOYSA-N -1 0 367.387 -0.409 20 0 FBADRM COC[C@@H](O)Cn1cc(CNS(=O)(=O)c2cccc(C(=O)[O-])c2)nn1 ZINC000656456276 484664488 /nfs/dbraw/zinc/66/44/88/484664488.db2.gz WUOVGMZLOYHDDM-LBPRGKRZSA-N -1 0 370.387 -0.538 20 0 FBADRM COC[C@H](O)Cn1cc(CNS(=O)(=O)c2cccc(C(=O)[O-])c2)nn1 ZINC000656458346 484664774 /nfs/dbraw/zinc/66/47/74/484664774.db2.gz WUOVGMZLOYHDDM-GFCCVEGCSA-N -1 0 370.387 -0.538 20 0 FBADRM Cn1ccc(N2CCC[C@@H](NC(=O)C[C@]3(C(=O)[O-])CCOC3)C2=O)n1 ZINC000656478612 484667936 /nfs/dbraw/zinc/66/79/36/484667936.db2.gz CBDDUWPXVFUGPA-BDJLRTHQSA-N -1 0 350.375 -0.087 20 0 FBADRM Cn1ccc(N2CCC[C@@H](NC(=O)C[C@@]3(C(=O)[O-])CCOC3)C2=O)n1 ZINC000656478616 484667125 /nfs/dbraw/zinc/66/71/25/484667125.db2.gz CBDDUWPXVFUGPA-BZNIZROVSA-N -1 0 350.375 -0.087 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)C[C@]3(C(=O)[O-])CCOC3)C2=O)n1 ZINC000656478619 484667475 /nfs/dbraw/zinc/66/74/75/484667475.db2.gz CBDDUWPXVFUGPA-MEDUHNTESA-N -1 0 350.375 -0.087 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)C[C@@]3(C(=O)[O-])CCOC3)C2=O)n1 ZINC000656478621 484667372 /nfs/dbraw/zinc/66/73/72/484667372.db2.gz CBDDUWPXVFUGPA-ZBEGNZNMSA-N -1 0 350.375 -0.087 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)C[C@]2(C(=O)[O-])CCOC2)C(=O)N1c1cnn(C)c1 ZINC000656478909 484665994 /nfs/dbraw/zinc/66/59/94/484665994.db2.gz FPXUWQPZFUBWAT-NSODJVPESA-N -1 0 350.375 -0.089 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)C[C@]2(C(=O)[O-])CCOC2)C(=O)N1c1cnn(C)c1 ZINC000656478914 484666269 /nfs/dbraw/zinc/66/62/69/484666269.db2.gz FPXUWQPZFUBWAT-RSAASHCRSA-N -1 0 350.375 -0.089 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)C[C@@]2(C(=O)[O-])CCOC2)C(=O)N1c1cnn(C)c1 ZINC000656478915 484665831 /nfs/dbraw/zinc/66/58/31/484665831.db2.gz FPXUWQPZFUBWAT-SIVJFFJCSA-N -1 0 350.375 -0.089 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)C[C@@]2(C(=O)[O-])CCOC2)C(=O)N1c1cnn(C)c1 ZINC000656478918 484665967 /nfs/dbraw/zinc/66/59/67/484665967.db2.gz FPXUWQPZFUBWAT-XAGWURHQSA-N -1 0 350.375 -0.089 20 0 FBADRM Cc1cc(N2CC[C@@H](NC(=O)C[C@]3(C(=O)[O-])CCOC3)C2=O)n(C)n1 ZINC000656481030 484665974 /nfs/dbraw/zinc/66/59/74/484665974.db2.gz PWCYHPLUROCACB-BDJLRTHQSA-N -1 0 350.375 -0.169 20 0 FBADRM Cc1cc(N2CC[C@@H](NC(=O)C[C@@]3(C(=O)[O-])CCOC3)C2=O)n(C)n1 ZINC000656481031 484666507 /nfs/dbraw/zinc/66/65/07/484666507.db2.gz PWCYHPLUROCACB-BZNIZROVSA-N -1 0 350.375 -0.169 20 0 FBADRM Cc1cc(N2CC[C@H](NC(=O)C[C@]3(C(=O)[O-])CCOC3)C2=O)n(C)n1 ZINC000656481032 484666479 /nfs/dbraw/zinc/66/64/79/484666479.db2.gz PWCYHPLUROCACB-MEDUHNTESA-N -1 0 350.375 -0.169 20 0 FBADRM Cc1cc(N2CC[C@H](NC(=O)C[C@@]3(C(=O)[O-])CCOC3)C2=O)n(C)n1 ZINC000656481033 484666135 /nfs/dbraw/zinc/66/61/35/484666135.db2.gz PWCYHPLUROCACB-ZBEGNZNMSA-N -1 0 350.375 -0.169 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)N[C@@H](CO)C(=O)[O-])C(=O)NCCC2 ZINC000656509153 484669333 /nfs/dbraw/zinc/66/93/33/484669333.db2.gz MXFATSSFFAYMIS-JTQLQIEISA-N -1 0 358.372 -0.905 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)N[C@H](CO)C(=O)[O-])C(=O)NCCC2 ZINC000656509154 484669301 /nfs/dbraw/zinc/66/93/01/484669301.db2.gz MXFATSSFFAYMIS-SNVBAGLBSA-N -1 0 358.372 -0.905 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)C(=O)NCCC2 ZINC000656509331 484668674 /nfs/dbraw/zinc/66/86/74/484668674.db2.gz QUCYASKDUDHMMK-ISVAXAHUSA-N -1 0 372.399 -0.517 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C(=O)NCCC2 ZINC000656509332 484669348 /nfs/dbraw/zinc/66/93/48/484669348.db2.gz QUCYASKDUDHMMK-OQPBUACISA-N -1 0 372.399 -0.517 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)C(=O)NCCC2 ZINC000656509333 484669099 /nfs/dbraw/zinc/66/90/99/484669099.db2.gz QUCYASKDUDHMMK-SDBXPKJASA-N -1 0 372.399 -0.517 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)NC[C@H](O)C(=O)[O-])C(=O)NCCC2 ZINC000656510370 484668939 /nfs/dbraw/zinc/66/89/39/484668939.db2.gz FBXXDIZNOAKDNC-JTQLQIEISA-N -1 0 358.372 -0.905 20 0 FBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])c1 ZINC000656511312 484668647 /nfs/dbraw/zinc/66/86/47/484668647.db2.gz SDFYQQJBNMSCAI-CYBMUJFWSA-N -1 0 366.399 -0.198 20 0 FBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])c1 ZINC000656511313 484668541 /nfs/dbraw/zinc/66/85/41/484668541.db2.gz SDFYQQJBNMSCAI-ZDUSSCGKSA-N -1 0 366.399 -0.198 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1cc2c(cc1OC)CCCNC2=O)C(=O)[O-] ZINC000656511527 484669051 /nfs/dbraw/zinc/66/90/51/484669051.db2.gz COZJKSFNMWRMJC-LLVKDONJSA-N -1 0 372.399 -0.251 20 0 FBADRM COC[C@H](NS(=O)(=O)c1cc2c(cc1OC)CCCNC2=O)C(=O)[O-] ZINC000656511530 484669041 /nfs/dbraw/zinc/66/90/41/484669041.db2.gz COZJKSFNMWRMJC-NSHDSACASA-N -1 0 372.399 -0.251 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)NCCOCC(=O)[O-])C(=O)NCCC2 ZINC000656512389 484668949 /nfs/dbraw/zinc/66/89/49/484668949.db2.gz KEAHEMCFUATIMC-UHFFFAOYSA-N -1 0 372.399 -0.249 20 0 FBADRM COC1CCN(S(=O)(=O)N[C@H](Cn2nc(C)cc2C)C(=O)[O-])CC1 ZINC000656512746 484668495 /nfs/dbraw/zinc/66/84/95/484668495.db2.gz NFHUOIOIUKEPHE-CYBMUJFWSA-N -1 0 360.436 -0.102 20 0 FBADRM COC1CCN(S(=O)(=O)N[C@@H](Cn2nc(C)cc2C)C(=O)[O-])CC1 ZINC000656512747 484668657 /nfs/dbraw/zinc/66/86/57/484668657.db2.gz NFHUOIOIUKEPHE-ZDUSSCGKSA-N -1 0 360.436 -0.102 20 0 FBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000656513136 484668735 /nfs/dbraw/zinc/66/87/35/484668735.db2.gz QZYADNKQDZDPLG-LLVKDONJSA-N -1 0 369.399 -0.695 20 0 FBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000656513137 484668524 /nfs/dbraw/zinc/66/85/24/484668524.db2.gz QZYADNKQDZDPLG-NSHDSACASA-N -1 0 369.399 -0.695 20 0 FBADRM CCC1CCN(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])CC1 ZINC000656513732 484668943 /nfs/dbraw/zinc/66/89/43/484668943.db2.gz APEAJBKPDBXHGS-GFCCVEGCSA-N -1 0 368.477 -0.073 20 0 FBADRM CCC1CCN(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])CC1 ZINC000656513733 484669024 /nfs/dbraw/zinc/66/90/24/484669024.db2.gz APEAJBKPDBXHGS-LBPRGKRZSA-N -1 0 368.477 -0.073 20 0 FBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)c1 ZINC000656513784 484669228 /nfs/dbraw/zinc/66/92/28/484669228.db2.gz BHGNSARZZWJOLG-BXKDBHETSA-N -1 0 369.399 -0.567 20 0 FBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)c1 ZINC000656513785 484668664 /nfs/dbraw/zinc/66/86/64/484668664.db2.gz BHGNSARZZWJOLG-CABZTGNLSA-N -1 0 369.399 -0.567 20 0 FBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)c1 ZINC000656513786 484669415 /nfs/dbraw/zinc/66/94/15/484669415.db2.gz BHGNSARZZWJOLG-JOYOIKCWSA-N -1 0 369.399 -0.567 20 0 FBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)c1 ZINC000656513787 484669030 /nfs/dbraw/zinc/66/90/30/484669030.db2.gz BHGNSARZZWJOLG-SKDRFNHKSA-N -1 0 369.399 -0.567 20 0 FBADRM CCC1CCN(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])CC1 ZINC000656513981 484668553 /nfs/dbraw/zinc/66/85/53/484668553.db2.gz HHXRHAHTGRICLF-LLVKDONJSA-N -1 0 354.450 -0.463 20 0 FBADRM CCC1CCN(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])CC1 ZINC000656513982 484669003 /nfs/dbraw/zinc/66/90/03/484669003.db2.gz HHXRHAHTGRICLF-NSHDSACASA-N -1 0 354.450 -0.463 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)cc1C(N)=O ZINC000656513999 484669279 /nfs/dbraw/zinc/66/92/79/484669279.db2.gz HYESSKQYZWBDEL-NOZJJQNGSA-N -1 0 372.399 -0.360 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)cc1C(N)=O ZINC000656514000 484669406 /nfs/dbraw/zinc/66/94/06/484669406.db2.gz HYESSKQYZWBDEL-RNCFNFMXSA-N -1 0 372.399 -0.360 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)cc1C(N)=O ZINC000656514001 484669159 /nfs/dbraw/zinc/66/91/59/484669159.db2.gz HYESSKQYZWBDEL-TVQRCGJNSA-N -1 0 372.399 -0.360 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)cc1C(N)=O ZINC000656514002 484668599 /nfs/dbraw/zinc/66/85/99/484668599.db2.gz HYESSKQYZWBDEL-ZANVPECISA-N -1 0 372.399 -0.360 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CCc1ccc(F)cc1 ZINC000656514224 484669019 /nfs/dbraw/zinc/66/90/19/484669019.db2.gz NFNZOTWLTAQIBI-GFCCVEGCSA-N -1 0 365.404 -0.118 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CCc1ccc(F)cc1 ZINC000656514225 484668826 /nfs/dbraw/zinc/66/88/26/484668826.db2.gz NFNZOTWLTAQIBI-LBPRGKRZSA-N -1 0 365.404 -0.118 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)N(CCO)CC(=O)[O-])C(=O)NCCC2 ZINC000656514367 484668784 /nfs/dbraw/zinc/66/87/84/484668784.db2.gz BGYIHAWZYNNZGN-UHFFFAOYSA-N -1 0 372.399 -0.561 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(C)cc(C(N)=O)c1 ZINC000656514775 484670715 /nfs/dbraw/zinc/67/07/15/484670715.db2.gz WSTHEETZUVJCJU-JTQLQIEISA-N -1 0 371.415 -0.306 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc(C)cc(C(N)=O)c1 ZINC000656514776 484670248 /nfs/dbraw/zinc/67/02/48/484670248.db2.gz WSTHEETZUVJCJU-SNVBAGLBSA-N -1 0 371.415 -0.306 20 0 FBADRM COC1CCN(S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])CC1 ZINC000656514819 484670375 /nfs/dbraw/zinc/67/03/75/484670375.db2.gz XIOQZMQAZWMYJD-JTQLQIEISA-N -1 0 351.425 -0.747 20 0 FBADRM COC1CCN(S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])CC1 ZINC000656514820 484670269 /nfs/dbraw/zinc/67/02/69/484670269.db2.gz XIOQZMQAZWMYJD-SNVBAGLBSA-N -1 0 351.425 -0.747 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CCc1ccccc1F ZINC000656514907 484670573 /nfs/dbraw/zinc/67/05/73/484670573.db2.gz ZMXNDSLMRIAIGO-GFCCVEGCSA-N -1 0 365.404 -0.118 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CCc1ccccc1F ZINC000656514908 484670503 /nfs/dbraw/zinc/67/05/03/484670503.db2.gz ZMXNDSLMRIAIGO-LBPRGKRZSA-N -1 0 365.404 -0.118 20 0 FBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)c1 ZINC000656515618 484670608 /nfs/dbraw/zinc/67/06/08/484670608.db2.gz KHFBLLPEEDXRGM-GWCFXTLKSA-N -1 0 356.400 -0.060 20 0 FBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)c1 ZINC000656515619 484670458 /nfs/dbraw/zinc/67/04/58/484670458.db2.gz KHFBLLPEEDXRGM-GXFFZTMASA-N -1 0 356.400 -0.060 20 0 FBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)c1 ZINC000656515620 484669967 /nfs/dbraw/zinc/66/99/67/484669967.db2.gz KHFBLLPEEDXRGM-MFKMUULPSA-N -1 0 356.400 -0.060 20 0 FBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)c1 ZINC000656515621 484670536 /nfs/dbraw/zinc/67/05/36/484670536.db2.gz KHFBLLPEEDXRGM-ZWNOBZJWSA-N -1 0 356.400 -0.060 20 0 FBADRM COC1CCN(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)Cc2ccccc2)CC1 ZINC000656516448 484670531 /nfs/dbraw/zinc/67/05/31/484670531.db2.gz ZJRCUFPHQNAYJN-CABCVRRESA-N -1 0 372.443 -0.012 20 0 FBADRM COC1CCN(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)Cc2ccccc2)CC1 ZINC000656516449 484670474 /nfs/dbraw/zinc/67/04/74/484670474.db2.gz ZJRCUFPHQNAYJN-GJZGRUSLSA-N -1 0 372.443 -0.012 20 0 FBADRM COC1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)Cc2ccccc2)CC1 ZINC000656516450 484670637 /nfs/dbraw/zinc/67/06/37/484670637.db2.gz ZJRCUFPHQNAYJN-HUUCEWRRSA-N -1 0 372.443 -0.012 20 0 FBADRM COC1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)Cc2ccccc2)CC1 ZINC000656516451 484670601 /nfs/dbraw/zinc/67/06/01/484670601.db2.gz ZJRCUFPHQNAYJN-LSDHHAIUSA-N -1 0 372.443 -0.012 20 0 FBADRM COC1CCN(S(=O)(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC000656517867 484670442 /nfs/dbraw/zinc/67/04/42/484670442.db2.gz PKLHWIOZMSNNJU-LLVKDONJSA-N -1 0 373.435 -0.031 20 0 FBADRM COC1CCN(S(=O)(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC000656517873 484670383 /nfs/dbraw/zinc/67/03/83/484670383.db2.gz PKLHWIOZMSNNJU-NSHDSACASA-N -1 0 373.435 -0.031 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000656521438 484670590 /nfs/dbraw/zinc/67/05/90/484670590.db2.gz LHGDUFYNZFNBHK-GHMZBOCLSA-N -1 0 356.466 -0.312 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H](C)[C@@H](CC(=O)[O-])C1 ZINC000656521439 484670679 /nfs/dbraw/zinc/67/06/79/484670679.db2.gz LHGDUFYNZFNBHK-MNOVXSKESA-N -1 0 356.466 -0.312 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@H](C)[C@@H](CC(=O)[O-])C1 ZINC000656521440 484670298 /nfs/dbraw/zinc/67/02/98/484670298.db2.gz LHGDUFYNZFNBHK-QWRGUYRKSA-N -1 0 356.466 -0.312 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@H](C)[C@H](CC(=O)[O-])C1 ZINC000656521441 484669995 /nfs/dbraw/zinc/66/99/95/484669995.db2.gz LHGDUFYNZFNBHK-WDEREUQCSA-N -1 0 356.466 -0.312 20 0 FBADRM CC12CC(C(=O)[O-])(C1)N(S(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C2 ZINC000656524148 484670255 /nfs/dbraw/zinc/67/02/55/484670255.db2.gz RBSDLOREGOQKJF-UHFFFAOYSA-N -1 0 360.413 -0.038 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1CC(=O)[O-] ZINC000656524184 484670496 /nfs/dbraw/zinc/67/04/96/484670496.db2.gz RSNCBMMNCGRZRN-NXEZZACHSA-N -1 0 359.404 -0.795 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1CC(=O)[O-] ZINC000656524185 484670709 /nfs/dbraw/zinc/67/07/09/484670709.db2.gz RSNCBMMNCGRZRN-UWVGGRQHSA-N -1 0 359.404 -0.795 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1CC(=O)[O-] ZINC000656524186 484670518 /nfs/dbraw/zinc/67/05/18/484670518.db2.gz RSNCBMMNCGRZRN-VHSXEESVSA-N -1 0 359.404 -0.795 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1CC(=O)[O-] ZINC000656524187 484670656 /nfs/dbraw/zinc/67/06/56/484670656.db2.gz RSNCBMMNCGRZRN-ZJUUUORDSA-N -1 0 359.404 -0.795 20 0 FBADRM CC12CC(C(=O)[O-])(C1)N(S(=O)(=O)c1cccc(S(N)(=O)=O)c1)C2 ZINC000656524231 484670703 /nfs/dbraw/zinc/67/07/03/484670703.db2.gz SISDHZKCHGALJC-UHFFFAOYSA-N -1 0 360.413 -0.038 20 0 FBADRM CC12CC(C(=O)[O-])(C1)N(S(=O)(=O)c1ccc3[nH]c(=O)c(=O)[nH]c3c1)C2 ZINC000656524382 484670676 /nfs/dbraw/zinc/67/06/76/484670676.db2.gz TVSMCXCNEXWSAG-UHFFFAOYSA-N -1 0 365.367 -0.156 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCCC[C@@H]2CCCC(=O)[O-])c(=O)n(C)c1=O ZINC000656524973 484670613 /nfs/dbraw/zinc/67/06/13/484670613.db2.gz PRTCFAUXCHVMDQ-LLVKDONJSA-N -1 0 373.431 -0.118 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCCC[C@H]2CCCC(=O)[O-])c(=O)n(C)c1=O ZINC000656524974 484670449 /nfs/dbraw/zinc/67/04/49/484670449.db2.gz PRTCFAUXCHVMDQ-NSHDSACASA-N -1 0 373.431 -0.118 20 0 FBADRM Cn1cc(S(=O)(=O)N2CC3(CCCC3)[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000656526207 484670241 /nfs/dbraw/zinc/67/02/41/484670241.db2.gz MDKMTNPYIUBFAL-JTQLQIEISA-N -1 0 357.388 -0.898 20 0 FBADRM Cn1cc(S(=O)(=O)N2CC3(CCCC3)[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000656526208 484670481 /nfs/dbraw/zinc/67/04/81/484670481.db2.gz MDKMTNPYIUBFAL-SNVBAGLBSA-N -1 0 357.388 -0.898 20 0 FBADRM CC(C)(C)CN(CC(=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000656527743 484670528 /nfs/dbraw/zinc/67/05/28/484670528.db2.gz SDYCHOLAKJMMPE-UHFFFAOYSA-N -1 0 371.481 -0.759 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC2(CCCC2)[C@@H]1C(=O)[O-] ZINC000656527862 484670628 /nfs/dbraw/zinc/67/06/28/484670628.db2.gz XGDOBZKQXGGSHQ-JTQLQIEISA-N -1 0 354.450 -0.415 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC2(CCCC2)[C@H]1C(=O)[O-] ZINC000656527863 484670698 /nfs/dbraw/zinc/67/06/98/484670698.db2.gz XGDOBZKQXGGSHQ-SNVBAGLBSA-N -1 0 354.450 -0.415 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)NC[C@@H](O)C(=O)[O-])C(=O)NCCC2 ZINC000656528007 484670692 /nfs/dbraw/zinc/67/06/92/484670692.db2.gz FBXXDIZNOAKDNC-SNVBAGLBSA-N -1 0 358.372 -0.905 20 0 FBADRM CN(C)C(=O)c1cc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1C ZINC000656561105 484671938 /nfs/dbraw/zinc/67/19/38/484671938.db2.gz BRIWDIMQOHEROR-MEBBXXQBSA-N -1 0 371.415 -0.551 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)C1CN(C(=O)C3CCCC3)C1)C2 ZINC000656561148 484671532 /nfs/dbraw/zinc/67/15/32/484671532.db2.gz CFEKRDRBDIURIL-MLGOLLRUSA-N -1 0 372.443 -0.250 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)c1cnn(CC(F)F)c1)C2 ZINC000656561188 484671753 /nfs/dbraw/zinc/67/17/53/484671753.db2.gz DCZJVIBAXWJDKH-PRHODGIISA-N -1 0 351.331 -0.130 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)CCc1ccccc1F ZINC000656561292 484671388 /nfs/dbraw/zinc/67/13/88/484671388.db2.gz CEOFADBPRDDHLR-LLVKDONJSA-N -1 0 370.362 -0.036 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)CCc1ccccc1F ZINC000656561293 484671162 /nfs/dbraw/zinc/67/11/62/484671162.db2.gz CEOFADBPRDDHLR-NSHDSACASA-N -1 0 370.362 -0.036 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)c1cccc(-n3cnnn3)c1)C2 ZINC000656561368 484671714 /nfs/dbraw/zinc/67/17/14/484671714.db2.gz FMLFUKJSWMICPD-QMTHXVAHSA-N -1 0 365.371 -0.616 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)c1ccc3[nH]c(=O)[nH]c3c1)C2 ZINC000656561517 484671964 /nfs/dbraw/zinc/67/19/64/484671964.db2.gz HRLASBLDOMUVQR-XLKFXECMSA-N -1 0 353.356 -0.010 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)c1ccc(-n3cnnn3)cc1)C2 ZINC000656561529 484671696 /nfs/dbraw/zinc/67/16/96/484671696.db2.gz HYPYOOVDRQJYLE-QMTHXVAHSA-N -1 0 365.371 -0.616 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)cc12 ZINC000656561923 484671216 /nfs/dbraw/zinc/67/12/16/484671216.db2.gz LCFICAXELTVZER-MEBBXXQBSA-N -1 0 366.399 -0.002 20 0 FBADRM Cc1ccc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1C(N)=O ZINC000656562182 484671700 /nfs/dbraw/zinc/67/17/00/484671700.db2.gz NKTXYXLBXVSHGR-MEBBXXQBSA-N -1 0 354.384 -0.184 20 0 FBADRM COc1ccc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1C(N)=O ZINC000656562239 484671789 /nfs/dbraw/zinc/67/17/89/484671789.db2.gz OSHUKSJNPOIOLU-RFAUZJTJSA-N -1 0 370.383 -0.484 20 0 FBADRM COc1ccc(CNC(C)=O)cc1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000656562374 484671962 /nfs/dbraw/zinc/67/19/62/484671962.db2.gz JMBNWPRWVVPQBC-GFCCVEGCSA-N -1 0 372.399 -0.195 20 0 FBADRM COc1ccc(CNC(C)=O)cc1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000656562375 484671822 /nfs/dbraw/zinc/67/18/22/484671822.db2.gz JMBNWPRWVVPQBC-LBPRGKRZSA-N -1 0 372.399 -0.195 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC000656562385 484671497 /nfs/dbraw/zinc/67/14/97/484671497.db2.gz OWEGGMAWLFTDTD-IAQYHMDHSA-N -1 0 354.384 -0.232 20 0 FBADRM CN1C(=O)Cc2cc(S(=O)(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)ccc21 ZINC000656562476 484671448 /nfs/dbraw/zinc/67/14/48/484671448.db2.gz QTZUSBZKGYEZQW-BDJLRTHQSA-N -1 0 366.395 -0.073 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)c1cnn([C@@H]3CCOC3)c1)C2 ZINC000656562529 484671341 /nfs/dbraw/zinc/67/13/41/484671341.db2.gz SAPZWZVZZUCLSP-JTNHKYCSSA-N -1 0 357.388 -0.434 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)c1cnn([C@H]3CCOC3)c1)C2 ZINC000656562533 484671589 /nfs/dbraw/zinc/67/15/89/484671589.db2.gz SAPZWZVZZUCLSP-UHIISALHSA-N -1 0 357.388 -0.434 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1C ZINC000656562832 484671826 /nfs/dbraw/zinc/67/18/26/484671826.db2.gz VRDNTEXJAAWTTE-YMTOWFKASA-N -1 0 357.388 -0.894 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)c1ccc3c(c1)NC(=O)CO3)C2 ZINC000656562864 484671631 /nfs/dbraw/zinc/67/16/31/484671631.db2.gz WADFHVZQLGOKFM-RFAUZJTJSA-N -1 0 368.367 -0.261 20 0 FBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000656562911 484671867 /nfs/dbraw/zinc/67/18/67/484671867.db2.gz MNQKNNFRQWTNMO-JTQLQIEISA-N -1 0 373.778 -0.006 20 0 FBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000656562918 484671923 /nfs/dbraw/zinc/67/19/23/484671923.db2.gz MNQKNNFRQWTNMO-SNVBAGLBSA-N -1 0 373.778 -0.006 20 0 FBADRM CO[C@H](CS(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])[C@@H]1CCOC1 ZINC000656562920 484671645 /nfs/dbraw/zinc/67/16/45/484671645.db2.gz MPFXPBOHEHUKJN-CYZMBNFOSA-N -1 0 366.436 -0.721 20 0 FBADRM CO[C@H](CS(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])[C@H]1CCOC1 ZINC000656562929 484671557 /nfs/dbraw/zinc/67/15/57/484671557.db2.gz MPFXPBOHEHUKJN-KGYLQXTDSA-N -1 0 366.436 -0.721 20 0 FBADRM CO[C@H](CS(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])[C@@H]1CCOC1 ZINC000656562932 484671519 /nfs/dbraw/zinc/67/15/19/484671519.db2.gz MPFXPBOHEHUKJN-RAIGVLPGSA-N -1 0 366.436 -0.721 20 0 FBADRM CO[C@H](CS(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])[C@H]1CCOC1 ZINC000656562935 484671420 /nfs/dbraw/zinc/67/14/20/484671420.db2.gz MPFXPBOHEHUKJN-WCFLWFBJSA-N -1 0 366.436 -0.721 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)c1ccc3c(c1)C(=O)NCC3)C2 ZINC000656563007 484671944 /nfs/dbraw/zinc/67/19/44/484671944.db2.gz XILPHVZSIPXVLO-BDJLRTHQSA-N -1 0 366.395 -0.306 20 0 FBADRM Cn1c(=O)oc2cc(S(=O)(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)ccc21 ZINC000656563034 484671767 /nfs/dbraw/zinc/67/17/67/484671767.db2.gz XNSDHRXZRQQQOP-RFAUZJTJSA-N -1 0 368.367 -0.147 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)c1cnn(C3CCOCC3)c1)C2 ZINC000656563176 484671782 /nfs/dbraw/zinc/67/17/82/484671782.db2.gz ZRRFYAQJJPVMOE-IAQYHMDHSA-N -1 0 371.415 -0.044 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)NC[C@](C)(O)C(=O)[O-])C(=O)NCCC2 ZINC000656563246 484671148 /nfs/dbraw/zinc/67/11/48/484671148.db2.gz QALOEALAWHDFIZ-HNNXBMFYSA-N -1 0 372.399 -0.515 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])C(=O)NCCC2 ZINC000656563249 484671975 /nfs/dbraw/zinc/67/19/75/484671975.db2.gz QALOEALAWHDFIZ-OAHLLOKOSA-N -1 0 372.399 -0.515 20 0 FBADRM CO[C@H](CS(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-])C1CCCC1 ZINC000656563595 484671466 /nfs/dbraw/zinc/67/14/66/484671466.db2.gz UPEBHPNUJCBIIM-GHMZBOCLSA-N -1 0 374.419 -0.213 20 0 FBADRM CO[C@@H](CS(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-])C1CCCC1 ZINC000656563596 484671777 /nfs/dbraw/zinc/67/17/77/484671777.db2.gz UPEBHPNUJCBIIM-MNOVXSKESA-N -1 0 374.419 -0.213 20 0 FBADRM CO[C@@H](CS(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-])C1CCCC1 ZINC000656563597 484671838 /nfs/dbraw/zinc/67/18/38/484671838.db2.gz UPEBHPNUJCBIIM-QWRGUYRKSA-N -1 0 374.419 -0.213 20 0 FBADRM CO[C@H](CS(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-])C1CCCC1 ZINC000656563598 484671844 /nfs/dbraw/zinc/67/18/44/484671844.db2.gz UPEBHPNUJCBIIM-WDEREUQCSA-N -1 0 374.419 -0.213 20 0 FBADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)CCc1ccc(F)cc1 ZINC000656563816 484671226 /nfs/dbraw/zinc/67/12/26/484671226.db2.gz WNGDXMQDDHVFIV-LLVKDONJSA-N -1 0 370.362 -0.036 20 0 FBADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)CCc1ccc(F)cc1 ZINC000656563817 484671746 /nfs/dbraw/zinc/67/17/46/484671746.db2.gz WNGDXMQDDHVFIV-NSHDSACASA-N -1 0 370.362 -0.036 20 0 FBADRM CC(C)(CCS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC000656564159 484671381 /nfs/dbraw/zinc/67/13/81/484671381.db2.gz CRLMSDNPIGSXKJ-ZWNOBZJWSA-N -1 0 369.461 -0.438 20 0 FBADRM COCCOCCOCCS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656564223 484671425 /nfs/dbraw/zinc/67/14/25/484671425.db2.gz GHEIXYRLXVWCBG-TZMCWYRMSA-N -1 0 367.420 -0.971 20 0 FBADRM COc1ccc(CNC(C)=O)cc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000656564263 484671525 /nfs/dbraw/zinc/67/15/25/484671525.db2.gz HNWSMKGPXSPADS-HNNXBMFYSA-N -1 0 372.399 -0.147 20 0 FBADRM COc1ccc(CNC(C)=O)cc1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000656564264 484671408 /nfs/dbraw/zinc/67/14/08/484671408.db2.gz HNWSMKGPXSPADS-OAHLLOKOSA-N -1 0 372.399 -0.147 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)c1cc3oc(=O)[nH]c3cc1F)C2 ZINC000656564268 484671682 /nfs/dbraw/zinc/67/16/82/484671682.db2.gz HRHDUDDARBOZMF-NXSYQRQQSA-N -1 0 372.330 -0.018 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC000656564609 484671903 /nfs/dbraw/zinc/67/19/03/484671903.db2.gz RRGBSHKHNCCXAB-CZUORRHYSA-N -1 0 368.411 -0.091 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)C2 ZINC000656564683 484671677 /nfs/dbraw/zinc/67/16/77/484671677.db2.gz VCZGAQKCPQITLA-DMDPSCGWSA-N -1 0 367.445 -0.826 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)C2 ZINC000656564684 484671762 /nfs/dbraw/zinc/67/17/62/484671762.db2.gz VCZGAQKCPQITLA-NQBHXWOUSA-N -1 0 367.445 -0.826 20 0 FBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000656564696 484671895 /nfs/dbraw/zinc/67/18/95/484671895.db2.gz VQQWYKMOYBDMDH-IAQYHMDHSA-N -1 0 354.384 -0.184 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)CC1CCS(=O)(=O)CC1)C2 ZINC000656564700 484671669 /nfs/dbraw/zinc/67/16/69/484671669.db2.gz VSCHLTUZLHWVQN-DGCLKSJQSA-N -1 0 367.445 -0.826 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(S(=O)(=O)c1ccc3[nH]c(=O)cnc3c1)C2 ZINC000656564770 484671487 /nfs/dbraw/zinc/67/14/87/484671487.db2.gz YLAHTTZMTCIZIU-RFAUZJTJSA-N -1 0 365.367 -0.355 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)s1 ZINC000656564771 484671373 /nfs/dbraw/zinc/67/13/73/484671373.db2.gz YLIDHUUJODYITD-PRHODGIISA-N -1 0 361.401 -0.177 20 0 FBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)NCCCN(C)S(C)(=O)=O ZINC000656586249 484674165 /nfs/dbraw/zinc/67/41/65/484674165.db2.gz LSSLLPQGELBJQQ-LLVKDONJSA-N -1 0 353.441 -0.213 20 0 FBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)NCCCN(C)S(C)(=O)=O ZINC000656586250 484674088 /nfs/dbraw/zinc/67/40/88/484674088.db2.gz LSSLLPQGELBJQQ-NSHDSACASA-N -1 0 353.441 -0.213 20 0 FBADRM COCCN1C(=O)C[C@H](CNC(=O)N[C@H](C)C(=O)[O-])[C@H]1c1cnn(C)c1 ZINC000656592477 484674349 /nfs/dbraw/zinc/67/43/49/484674349.db2.gz VAKKHSKFWWLUHW-GYSYKLTISA-N -1 0 367.406 -0.272 20 0 FBADRM COCCN1C(=O)C[C@H](CNC(=O)N[C@@H](C)C(=O)[O-])[C@H]1c1cnn(C)c1 ZINC000656592478 484674120 /nfs/dbraw/zinc/67/41/20/484674120.db2.gz VAKKHSKFWWLUHW-WDMOLILDSA-N -1 0 367.406 -0.272 20 0 FBADRM COCCN1C(=O)C[C@H](CNC(=O)N(C)CC(=O)[O-])[C@H]1c1cnn(C)c1 ZINC000656592518 484674633 /nfs/dbraw/zinc/67/46/33/484674633.db2.gz WBHUMPCTHDQOLC-ABAIWWIYSA-N -1 0 367.406 -0.318 20 0 FBADRM COCCN1C(=O)C[C@H](CNC(=O)NCC(=O)[O-])[C@H]1c1cnn(C)c1 ZINC000656592639 484674585 /nfs/dbraw/zinc/67/45/85/484674585.db2.gz ZNTADOGKVJDVCQ-YGRLFVJLSA-N -1 0 353.379 -0.660 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000656601957 484674639 /nfs/dbraw/zinc/67/46/39/484674639.db2.gz FIZIZINIDWIAKV-YMTOWFKASA-N -1 0 355.372 -0.101 20 0 FBADRM COc1ncc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1C(N)=O ZINC000656602298 484674260 /nfs/dbraw/zinc/67/42/60/484674260.db2.gz ANSLMSZQZHJPOK-ANRSDYALSA-N -1 0 350.331 -0.246 20 0 FBADRM O=C(Cn1cc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1)NC1CC1 ZINC000656602469 484674784 /nfs/dbraw/zinc/67/47/84/484674784.db2.gz GAOOHVMSFFKTSH-QLJPJBMISA-N -1 0 363.374 -0.273 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC000656602679 484674567 /nfs/dbraw/zinc/67/45/67/484674567.db2.gz LMSRLMJIYIPKLP-YMTOWFKASA-N -1 0 355.372 -0.101 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000656602709 484673921 /nfs/dbraw/zinc/67/39/21/484673921.db2.gz UZGPSEZMKCLBEA-MEBBXXQBSA-N -1 0 351.363 -0.464 20 0 FBADRM CNC(=O)Cn1nc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1C ZINC000656602808 484674308 /nfs/dbraw/zinc/67/43/08/484674308.db2.gz OIBMZESQEIMIEJ-MEBBXXQBSA-N -1 0 351.363 -0.498 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC000656602904 484674791 /nfs/dbraw/zinc/67/47/91/484674791.db2.gz RQPICUBYSMGFPH-MEBBXXQBSA-N -1 0 351.363 -0.464 20 0 FBADRM CNS(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)nc1 ZINC000656604003 484674283 /nfs/dbraw/zinc/67/42/83/484674283.db2.gz FVGPJLDGOQMVFB-YMTOWFKASA-N -1 0 370.387 -0.445 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(F)ccc1C(N)=O ZINC000656634173 484677375 /nfs/dbraw/zinc/67/73/75/484677375.db2.gz VWISFDYXMJYDFA-UHFFFAOYSA-N -1 0 367.424 -0.052 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000656715703 484680246 /nfs/dbraw/zinc/68/02/46/484680246.db2.gz ANPPBGASBHNDPL-PWSUYJOCSA-N -1 0 363.413 -0.081 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])c1 ZINC000656715848 484679880 /nfs/dbraw/zinc/67/98/80/484679880.db2.gz BWELQXFURCEIGM-MNOVXSKESA-N -1 0 353.360 -0.603 20 0 FBADRM CS(=O)(=O)CC1(CCNS(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1 ZINC000656717031 484680656 /nfs/dbraw/zinc/68/06/56/484680656.db2.gz IHIKBTXDQQKJLR-UHFFFAOYSA-N -1 0 351.406 -0.399 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000656717080 484679631 /nfs/dbraw/zinc/67/96/31/484679631.db2.gz KPMBRUPRCODKKA-KCJUWKMLSA-N -1 0 364.401 -0.885 20 0 FBADRM O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000656717769 484680576 /nfs/dbraw/zinc/68/05/76/484680576.db2.gz PEGICQNATQGLLV-CMPLNLGQSA-N -1 0 361.397 -0.463 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])c1 ZINC000656717929 484680518 /nfs/dbraw/zinc/68/05/18/484680518.db2.gz RNEBDUIENIATET-MNOVXSKESA-N -1 0 364.401 -0.885 20 0 FBADRM O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)c1ccccc1Cn1cncn1 ZINC000656718466 484679498 /nfs/dbraw/zinc/67/94/98/484679498.db2.gz ZWSHBNXCTOQXQG-WCQYABFASA-N -1 0 352.372 -0.153 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])cc1 ZINC000656718468 484680123 /nfs/dbraw/zinc/68/01/23/484680123.db2.gz ZYZKBBCBUKQNTM-MNOVXSKESA-N -1 0 364.401 -0.885 20 0 FBADRM CS(=O)(=O)CC1(CCNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC000656719400 484679794 /nfs/dbraw/zinc/67/97/94/484679794.db2.gz XBSXZLIJJBCHHP-JTQLQIEISA-N -1 0 354.450 -0.415 20 0 FBADRM CS(=O)(=O)CC1(CCNS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1 ZINC000656719401 484681456 /nfs/dbraw/zinc/68/14/56/484681456.db2.gz XBSXZLIJJBCHHP-SNVBAGLBSA-N -1 0 354.450 -0.415 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N2CC3CC2(C(=O)[O-])C3)CC1 ZINC000656719877 484681464 /nfs/dbraw/zinc/68/14/64/484681464.db2.gz ISZQOCILYZHGOI-UHFFFAOYSA-N -1 0 366.461 -0.463 20 0 FBADRM O=C([O-])C12CC(C1)CN2S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000656720464 484681611 /nfs/dbraw/zinc/68/16/11/484681611.db2.gz XERHUICSKITSSQ-UHFFFAOYSA-N -1 0 374.440 -0.156 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000656720656 484681767 /nfs/dbraw/zinc/68/17/67/484681767.db2.gz CUEQXFMCZOLEND-UHFFFAOYSA-N -1 0 367.405 -0.910 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(S(=O)(=O)CCCCCC(=O)[O-])CC1 ZINC000656721753 484681447 /nfs/dbraw/zinc/68/14/47/484681447.db2.gz MIVANJGCXOVWTB-UHFFFAOYSA-N -1 0 371.481 -0.615 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCC1(S(C)(=O)=O)CCCCC1 ZINC000656722438 484681058 /nfs/dbraw/zinc/68/10/58/484681058.db2.gz CDKXIXRABUNMBF-UHFFFAOYSA-N -1 0 356.466 -0.025 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000656723281 484681798 /nfs/dbraw/zinc/68/17/98/484681798.db2.gz FJMKCMXMRNLREI-LLVKDONJSA-N -1 0 356.466 -0.312 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000656723285 484681674 /nfs/dbraw/zinc/68/16/74/484681674.db2.gz FJMKCMXMRNLREI-NSHDSACASA-N -1 0 356.466 -0.312 20 0 FBADRM C[C@](CCF)(NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000656723672 484681395 /nfs/dbraw/zinc/68/13/95/484681395.db2.gz GTWHXUDYIMODJX-LLVKDONJSA-N -1 0 354.381 -0.185 20 0 FBADRM C[C@@](CCF)(NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000656723675 484681601 /nfs/dbraw/zinc/68/16/01/484681601.db2.gz GTWHXUDYIMODJX-NSHDSACASA-N -1 0 354.381 -0.185 20 0 FBADRM C[C@](CCF)(NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000656724020 484681064 /nfs/dbraw/zinc/68/10/64/484681064.db2.gz JOFGNBGJEUOWAZ-LLVKDONJSA-N -1 0 354.381 -0.185 20 0 FBADRM C[C@@](CCF)(NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000656724022 484681623 /nfs/dbraw/zinc/68/16/23/484681623.db2.gz JOFGNBGJEUOWAZ-NSHDSACASA-N -1 0 354.381 -0.185 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)NCc1ccoc1C(=O)[O-] ZINC000656724837 484681761 /nfs/dbraw/zinc/68/17/61/484681761.db2.gz JORZJNGBHPNWQC-UHFFFAOYSA-N -1 0 354.406 -0.321 20 0 FBADRM C[C@](CCF)(NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000656725870 484681819 /nfs/dbraw/zinc/68/18/19/484681819.db2.gz WABXWXXYLDGPEQ-GFCCVEGCSA-N -1 0 374.456 -0.220 20 0 FBADRM C[C@@](CCF)(NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000656725872 484681656 /nfs/dbraw/zinc/68/16/56/484681656.db2.gz WABXWXXYLDGPEQ-LBPRGKRZSA-N -1 0 374.456 -0.220 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CCN1S(C)(=O)=O ZINC000656726323 484681702 /nfs/dbraw/zinc/68/17/02/484681702.db2.gz CRFSYXKHIYBEHJ-SECBINFHSA-N -1 0 363.417 -0.566 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2scnc2C(=O)[O-])CCN1S(C)(=O)=O ZINC000656727218 484681468 /nfs/dbraw/zinc/68/14/68/484681468.db2.gz HKLJVLONRFAALI-SSDOTTSWSA-N -1 0 369.446 -0.504 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCN1S(C)(=O)=O ZINC000656727999 484681687 /nfs/dbraw/zinc/68/16/87/484681687.db2.gz JFWJLBMAJXBUSX-MRVPVSSYSA-N -1 0 351.406 -0.633 20 0 FBADRM Cc1oc(S(=O)(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)cc1C(=O)[O-] ZINC000656728067 484681709 /nfs/dbraw/zinc/68/17/09/484681709.db2.gz JRKKZWBCSWVCLC-MRVPVSSYSA-N -1 0 366.417 -0.059 20 0 FBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)c1 ZINC000656728480 484681410 /nfs/dbraw/zinc/68/14/10/484681410.db2.gz VEFGHIDRVTVGOY-UHFFFAOYSA-N -1 0 366.403 -0.426 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)CCN1S(C)(=O)=O ZINC000656729674 484681618 /nfs/dbraw/zinc/68/16/18/484681618.db2.gz OTSKHQYCHBQYGH-MRVPVSSYSA-N -1 0 352.390 -0.368 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2csnc2C(=O)[O-])CCN1S(C)(=O)=O ZINC000656729740 484681299 /nfs/dbraw/zinc/68/12/99/484681299.db2.gz PGBYUZBQIFWBTL-SSDOTTSWSA-N -1 0 369.446 -0.504 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CCN1S(C)(=O)=O ZINC000656730642 484681632 /nfs/dbraw/zinc/68/16/32/484681632.db2.gz QMYRTFSBSWZRKN-MRVPVSSYSA-N -1 0 352.390 -0.368 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cccnc2C(=O)[O-])CCN1S(C)(=O)=O ZINC000656730691 484681783 /nfs/dbraw/zinc/68/17/83/484681783.db2.gz QVTBHGWZPRRBNI-SECBINFHSA-N -1 0 363.417 -0.566 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCCCC(=O)[O-])CCN1S(C)(=O)=O ZINC000656731551 484681682 /nfs/dbraw/zinc/68/16/82/484681682.db2.gz SIHHBAYDAFOBMY-LLVKDONJSA-N -1 0 356.466 -0.073 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cncc(C(=O)[O-])c2)CCN1S(C)(=O)=O ZINC000656733029 484681742 /nfs/dbraw/zinc/68/17/42/484681742.db2.gz ZKRUVFRSQVEZGQ-SECBINFHSA-N -1 0 363.417 -0.566 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000656733069 484681504 /nfs/dbraw/zinc/68/15/04/484681504.db2.gz ZVBSLTWCGRLLRL-MRVPVSSYSA-N -1 0 366.417 -0.059 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2ccc3c(n2)OCCO3)c(=O)n(C)c1=O ZINC000656741087 484681383 /nfs/dbraw/zinc/68/13/83/484681383.db2.gz XONUBGDTMYOCDI-UHFFFAOYSA-N -1 0 354.344 -0.949 20 0 FBADRM O=C(CN1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2[O-])CC1 ZINC000656869744 484688859 /nfs/dbraw/zinc/68/88/59/484688859.db2.gz UOMCJGTZWKLUNY-UHFFFAOYSA-N -1 0 369.443 -0.443 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[O-])CC1 ZINC000656869966 484690278 /nfs/dbraw/zinc/69/02/78/484690278.db2.gz HWRPVSOUXJWCOW-UHFFFAOYSA-N -1 0 355.416 -0.250 20 0 FBADRM O=C(NC1CC1)C(=O)N1CCN(S(=O)(=O)c2ccccc2[O-])CC1 ZINC000656876864 484688307 /nfs/dbraw/zinc/68/83/07/484688307.db2.gz RPMNYSWQAPVLIT-UHFFFAOYSA-N -1 0 353.400 -0.496 20 0 FBADRM O=C(CCNS(=O)(=O)c1ccccc1[O-])N[C@H]1CCS(=O)(=O)C1 ZINC000656876959 484688026 /nfs/dbraw/zinc/68/80/26/484688026.db2.gz NTKHFMIMWQCWRS-JTQLQIEISA-N -1 0 362.429 -0.636 20 0 FBADRM O=C(CCNS(=O)(=O)c1ccccc1[O-])N[C@@H]1CCS(=O)(=O)C1 ZINC000656876960 484688169 /nfs/dbraw/zinc/68/81/69/484688169.db2.gz NTKHFMIMWQCWRS-SNVBAGLBSA-N -1 0 362.429 -0.636 20 0 FBADRM O=C(C(=O)N1CCN(S(=O)(=O)c2ccccc2[O-])CC1)N1CCCC1 ZINC000656877658 484688035 /nfs/dbraw/zinc/68/80/35/484688035.db2.gz CXJHNUKENUYZAR-UHFFFAOYSA-N -1 0 367.427 -0.153 20 0 FBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1[O-] ZINC000656878194 484688282 /nfs/dbraw/zinc/68/82/82/484688282.db2.gz ZRNRGODXVOCCFY-JTQLQIEISA-N -1 0 362.429 -0.684 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1[O-] ZINC000656878198 484688231 /nfs/dbraw/zinc/68/82/31/484688231.db2.gz ZRNRGODXVOCCFY-SNVBAGLBSA-N -1 0 362.429 -0.684 20 0 FBADRM CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccccc2[O-])CC1 ZINC000656884455 484687929 /nfs/dbraw/zinc/68/79/29/484687929.db2.gz SOBSRYGGWAKNME-UHFFFAOYSA-N -1 0 363.461 -0.752 20 0 FBADRM Cn1ccnc(N2CCN(S(=O)(=O)c3ccccc3[O-])CC2)c1=O ZINC000656923950 484692736 /nfs/dbraw/zinc/69/27/36/484692736.db2.gz ILBXAMUKUHGAPP-UHFFFAOYSA-N -1 0 350.400 -0.003 20 0 FBADRM CN(C)S(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2ccccc2[O-])C1 ZINC000656987861 484703169 /nfs/dbraw/zinc/70/31/69/484703169.db2.gz LUWDLPIZBYTNRN-LLVKDONJSA-N -1 0 363.461 -0.059 20 0 FBADRM CN(C)S(=O)(=O)N1CCCN(S(=O)(=O)c2ccccc2[O-])CC1 ZINC000656990827 484702847 /nfs/dbraw/zinc/70/28/47/484702847.db2.gz CFWWZXOIMILBFN-UHFFFAOYSA-N -1 0 363.461 -0.105 20 0 FBADRM O=S(=O)(c1cc[nH]n1)N1CCN(S(=O)(=O)c2ccccc2[O-])CC1 ZINC000656991703 484702940 /nfs/dbraw/zinc/70/29/40/484702940.db2.gz WKEBHLPJRDOTSN-UHFFFAOYSA-N -1 0 372.428 -0.190 20 0 FBADRM CC(C)NS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2[O-])CC1 ZINC000656998564 484703010 /nfs/dbraw/zinc/70/30/10/484703010.db2.gz FLXKVYSJVFZSTA-UHFFFAOYSA-N -1 0 363.461 -0.059 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@H]1CCOC1 ZINC000657048104 484712598 /nfs/dbraw/zinc/71/25/98/484712598.db2.gz YXEUDCVTMMYAGY-GZMMTYOYSA-N -1 0 370.387 -0.234 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@@H]1CCOC1 ZINC000657048105 484712460 /nfs/dbraw/zinc/71/24/60/484712460.db2.gz YXEUDCVTMMYAGY-KCJUWKMLSA-N -1 0 370.387 -0.234 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@H]1CCOC1 ZINC000657048106 484712761 /nfs/dbraw/zinc/71/27/61/484712761.db2.gz YXEUDCVTMMYAGY-KWQFWETISA-N -1 0 370.387 -0.234 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@@H]1CCOC1 ZINC000657048107 484712645 /nfs/dbraw/zinc/71/26/45/484712645.db2.gz YXEUDCVTMMYAGY-LDYMZIIASA-N -1 0 370.387 -0.234 20 0 FBADRM COC[C@@H](CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)OC ZINC000657054895 484711227 /nfs/dbraw/zinc/71/12/27/484711227.db2.gz ZYCNBZDETHZFTA-MRVPVSSYSA-N -1 0 358.376 -0.234 20 0 FBADRM COC[C@H](CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)OC ZINC000657054896 484710619 /nfs/dbraw/zinc/71/06/19/484710619.db2.gz ZYCNBZDETHZFTA-QMMMGPOBSA-N -1 0 358.376 -0.234 20 0 FBADRM CO[C@@]1(CO)CCCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000657094888 484720974 /nfs/dbraw/zinc/72/09/74/484720974.db2.gz BQKVBIWOLWEYJD-AWEZNQCLSA-N -1 0 370.387 -0.402 20 0 FBADRM CO[C@]1(CO)CCCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000657094889 484721342 /nfs/dbraw/zinc/72/13/42/484721342.db2.gz BQKVBIWOLWEYJD-CQSZACIVSA-N -1 0 370.387 -0.402 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CC[C@@H](O)C(F)(F)C3)cc-2c(=O)[n-]1 ZINC000657096661 484719248 /nfs/dbraw/zinc/71/92/48/484719248.db2.gz NKBLSAUSGYAHIN-MRVPVSSYSA-N -1 0 362.314 -0.173 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CC[C@H](O)C(F)(F)C3)cc-2c(=O)[n-]1 ZINC000657096662 484719803 /nfs/dbraw/zinc/71/98/03/484719803.db2.gz NKBLSAUSGYAHIN-QMMMGPOBSA-N -1 0 362.314 -0.173 20 0 FBADRM CCn1cc(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)nn1 ZINC000657120384 484728208 /nfs/dbraw/zinc/72/82/08/484728208.db2.gz AFEBCSYYWMOPDE-UHFFFAOYSA-N -1 0 351.348 -0.474 20 0 FBADRM CN(C[C@@H]1COCCO1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000657128218 484730674 /nfs/dbraw/zinc/73/06/74/484730674.db2.gz YMVQRGFEVQMZMH-MRVPVSSYSA-N -1 0 356.360 -0.528 20 0 FBADRM CN(C[C@H]1COCCO1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000657128225 484731306 /nfs/dbraw/zinc/73/13/06/484731306.db2.gz YMVQRGFEVQMZMH-QMMMGPOBSA-N -1 0 356.360 -0.528 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)c(=O)n(C)c1=O ZINC000657142283 484731757 /nfs/dbraw/zinc/73/17/57/484731757.db2.gz CZEVGUZJVAUOPT-KOLCDFICSA-N -1 0 373.431 -0.358 20 0 FBADRM CN1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCC1=O ZINC000657184471 484736503 /nfs/dbraw/zinc/73/65/03/484736503.db2.gz UZTMZVISDSGCBV-UHFFFAOYSA-N -1 0 353.360 -0.711 20 0 FBADRM COc1ncc(NC(=O)C(=O)NCc2nnn[n-]2)c(C)c1Br ZINC000657655192 484802772 /nfs/dbraw/zinc/80/27/72/484802772.db2.gz BOEAYMRNZOJPOQ-UHFFFAOYSA-N -1 0 370.167 -0.071 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H](C)C2(CO)CC2)ccc1F ZINC000658465587 485150694 /nfs/dbraw/zinc/15/06/94/485150694.db2.gz SXJBCLADFNIUCX-SECBINFHSA-N -1 0 373.406 -0.051 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](C)C2(CO)CC2)ccc1F ZINC000658465590 485150569 /nfs/dbraw/zinc/15/05/69/485150569.db2.gz SXJBCLADFNIUCX-VIFPVBQESA-N -1 0 373.406 -0.051 20 0 FBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659049744 485203240 /nfs/dbraw/zinc/20/32/40/485203240.db2.gz CYSGVOBALYURHF-UHFFFAOYSA-N -1 0 372.403 -0.448 20 0 FBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000659049758 485203455 /nfs/dbraw/zinc/20/34/55/485203455.db2.gz DAQOKDKBSUWMGX-UHFFFAOYSA-N -1 0 356.342 -0.143 20 0 FBADRM CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659050075 485203641 /nfs/dbraw/zinc/20/36/41/485203641.db2.gz HFGKJRLNAVQRHP-UHFFFAOYSA-N -1 0 353.379 -0.422 20 0 FBADRM COCCN(CCOC)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659050341 485203421 /nfs/dbraw/zinc/20/34/21/485203421.db2.gz KFSJIQCFEXYOMC-UHFFFAOYSA-N -1 0 356.379 -0.237 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000659050494 485203704 /nfs/dbraw/zinc/20/37/04/485203704.db2.gz AOHGPMRNKVINDS-SECBINFHSA-N -1 0 370.387 -0.742 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000659050561 485203707 /nfs/dbraw/zinc/20/37/07/485203707.db2.gz AOHGPMRNKVINDS-VIFPVBQESA-N -1 0 370.387 -0.742 20 0 FBADRM COCC(=O)N1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1 ZINC000659050644 485203427 /nfs/dbraw/zinc/20/34/27/485203427.db2.gz NFUSEABDFVOLQL-UHFFFAOYSA-N -1 0 350.331 -0.965 20 0 FBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000659050703 485203248 /nfs/dbraw/zinc/20/32/48/485203248.db2.gz NRZMJHXUBYLCEJ-UHFFFAOYSA-N -1 0 356.342 -0.143 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659050782 485203690 /nfs/dbraw/zinc/20/36/90/485203690.db2.gz OJQOQRBUVOUWDI-UHFFFAOYSA-N -1 0 372.403 -0.494 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NCC(=O)N2CCCCC2)n1 ZINC000659050944 485203687 /nfs/dbraw/zinc/20/36/87/485203687.db2.gz PIGLHOKDVZFCHX-UHFFFAOYSA-N -1 0 365.390 -0.230 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NCC(=O)NC2CCCC2)n1 ZINC000659051048 485203501 /nfs/dbraw/zinc/20/35/01/485203501.db2.gz DIFWSIQFNGUJKB-UHFFFAOYSA-N -1 0 365.390 -0.184 20 0 FBADRM CS(=O)(=O)N1CCCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1 ZINC000659051232 485203223 /nfs/dbraw/zinc/20/32/23/485203223.db2.gz UECQTVLNRPCWQS-UHFFFAOYSA-N -1 0 370.387 -0.788 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000659051251 485203367 /nfs/dbraw/zinc/20/33/67/485203367.db2.gz VDLRFWGVPGPQDO-SECBINFHSA-N -1 0 370.387 -0.742 20 0 FBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000659051252 485203386 /nfs/dbraw/zinc/20/33/86/485203386.db2.gz VDLRFWGVPGPQDO-VIFPVBQESA-N -1 0 370.387 -0.742 20 0 FBADRM CC(C)COC[C@H](O)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659051259 485203518 /nfs/dbraw/zinc/20/35/18/485203518.db2.gz VIYCEDVICZYDPJ-LLVKDONJSA-N -1 0 370.406 -0.209 20 0 FBADRM CC(C)COC[C@@H](O)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659051260 485203271 /nfs/dbraw/zinc/20/32/71/485203271.db2.gz VIYCEDVICZYDPJ-NSHDSACASA-N -1 0 370.406 -0.209 20 0 FBADRM CCN(CCCNC(=O)C(=O)Nc1cccnc1C(=O)[O-])S(C)(=O)=O ZINC000659051270 485203606 /nfs/dbraw/zinc/20/36/06/485203606.db2.gz FOQVHBYGXMNCSI-UHFFFAOYSA-N -1 0 372.403 -0.494 20 0 FBADRM CN(CCCNC(=O)C(=O)Nc1cccnc1C(=O)[O-])S(C)(=O)=O ZINC000659051514 485203217 /nfs/dbraw/zinc/20/32/17/485203217.db2.gz XGJQMMHWKIPODF-UHFFFAOYSA-N -1 0 358.376 -0.884 20 0 FBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000659051932 485203478 /nfs/dbraw/zinc/20/34/78/485203478.db2.gz PPEKBBMOQNIQPH-UHFFFAOYSA-N -1 0 356.342 -0.143 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659051940 485203573 /nfs/dbraw/zinc/20/35/73/485203573.db2.gz PXCWYSZRMXWZFM-UHFFFAOYSA-N -1 0 358.376 -0.838 20 0 FBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659052337 485203469 /nfs/dbraw/zinc/20/34/69/485203469.db2.gz CFRWNRZPMVUVHJ-BDAKNGLRSA-N -1 0 357.388 -0.002 20 0 FBADRM C[C@H]([C@H](C)N(C)C(=O)C(=O)Nc1cccnc1C(=O)[O-])S(C)(=O)=O ZINC000659052338 485203628 /nfs/dbraw/zinc/20/36/28/485203628.db2.gz CFRWNRZPMVUVHJ-DTWKUNHWSA-N -1 0 357.388 -0.002 20 0 FBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659052339 485203602 /nfs/dbraw/zinc/20/36/02/485203602.db2.gz CFRWNRZPMVUVHJ-IUCAKERBSA-N -1 0 357.388 -0.002 20 0 FBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659052340 485203253 /nfs/dbraw/zinc/20/32/53/485203253.db2.gz CFRWNRZPMVUVHJ-RKDXNWHRSA-N -1 0 357.388 -0.002 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659052408 485203257 /nfs/dbraw/zinc/20/32/57/485203257.db2.gz VNYUFERINBWCOJ-UHFFFAOYSA-N -1 0 358.376 -0.836 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1cccnc1C(=O)[O-])NS(C)(=O)=O ZINC000659052648 485203439 /nfs/dbraw/zinc/20/34/39/485203439.db2.gz FJOUDPLJVGULID-UHFFFAOYSA-N -1 0 358.376 -0.838 20 0 FBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000659052719 485203496 /nfs/dbraw/zinc/20/34/96/485203496.db2.gz GNZZLXIWYYFFEV-MRVPVSSYSA-N -1 0 374.275 -0.002 20 0 FBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000659052720 485203621 /nfs/dbraw/zinc/20/36/21/485203621.db2.gz GNZZLXIWYYFFEV-QMMMGPOBSA-N -1 0 374.275 -0.002 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CCC[C@@H](CC(N)=O)C2)n1 ZINC000659052750 485203639 /nfs/dbraw/zinc/20/36/39/485203639.db2.gz AHXAEOFFWJRCOO-JTQLQIEISA-N -1 0 365.390 -0.245 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CCC[C@H](CC(N)=O)C2)n1 ZINC000659052751 485203504 /nfs/dbraw/zinc/20/35/04/485203504.db2.gz AHXAEOFFWJRCOO-SNVBAGLBSA-N -1 0 365.390 -0.245 20 0 FBADRM COC[C@@H]1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CCO1 ZINC000659052822 485203526 /nfs/dbraw/zinc/20/35/26/485203526.db2.gz BPCCWKYQFXKJHL-JTQLQIEISA-N -1 0 354.363 -0.485 20 0 FBADRM COC[C@H]1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CCO1 ZINC000659052823 485203715 /nfs/dbraw/zinc/20/37/15/485203715.db2.gz BPCCWKYQFXKJHL-SNVBAGLBSA-N -1 0 354.363 -0.485 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NCCOC[C@H]2CCCO2)n1 ZINC000659052953 485203210 /nfs/dbraw/zinc/20/32/10/485203210.db2.gz HLVGNMCPRRZWDR-LLVKDONJSA-N -1 0 368.390 -0.047 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NCCOC[C@@H]2CCCO2)n1 ZINC000659052954 485203446 /nfs/dbraw/zinc/20/34/46/485203446.db2.gz HLVGNMCPRRZWDR-NSHDSACASA-N -1 0 368.390 -0.047 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CCC[C@@H](OCCO)C2)n1 ZINC000659052998 485203382 /nfs/dbraw/zinc/20/33/82/485203382.db2.gz IHBGWFXPOQBEMI-LLVKDONJSA-N -1 0 368.390 -0.359 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CCC[C@H](OCCO)C2)n1 ZINC000659053000 485203452 /nfs/dbraw/zinc/20/34/52/485203452.db2.gz IHBGWFXPOQBEMI-NSHDSACASA-N -1 0 368.390 -0.359 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CCO1 ZINC000659053054 485203389 /nfs/dbraw/zinc/20/33/89/485203389.db2.gz JKVNJGDWDBKSJW-JTQLQIEISA-N -1 0 350.331 -0.918 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CCO1 ZINC000659053056 485203363 /nfs/dbraw/zinc/20/33/63/485203363.db2.gz JKVNJGDWDBKSJW-SNVBAGLBSA-N -1 0 350.331 -0.918 20 0 FBADRM CC(C)N1C[C@@H](NC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CC1=O ZINC000659053105 485203286 /nfs/dbraw/zinc/20/32/86/485203286.db2.gz CMUCDSBCPRCBSA-JTQLQIEISA-N -1 0 365.390 -0.233 20 0 FBADRM CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CC1=O ZINC000659053106 485203671 /nfs/dbraw/zinc/20/36/71/485203671.db2.gz CMUCDSBCPRCBSA-SNVBAGLBSA-N -1 0 365.390 -0.233 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NCC2(C(N)=O)CCCC2)n1 ZINC000659053326 485203370 /nfs/dbraw/zinc/20/33/70/485203370.db2.gz MZODLLCRBCDVMG-UHFFFAOYSA-N -1 0 365.390 -0.197 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659053401 485203436 /nfs/dbraw/zinc/20/34/36/485203436.db2.gz GIOBWIQNSKOUKS-SECBINFHSA-N -1 0 370.387 -0.742 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659053402 485203625 /nfs/dbraw/zinc/20/36/25/485203625.db2.gz GIOBWIQNSKOUKS-VIFPVBQESA-N -1 0 370.387 -0.742 20 0 FBADRM CNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1 ZINC000659053518 485203432 /nfs/dbraw/zinc/20/34/32/485203432.db2.gz OFTQTVCUSFMSOZ-JTQLQIEISA-N -1 0 365.390 -0.374 20 0 FBADRM CNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1 ZINC000659053519 485203292 /nfs/dbraw/zinc/20/32/92/485203292.db2.gz OFTQTVCUSFMSOZ-SNVBAGLBSA-N -1 0 365.390 -0.374 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000659053558 485203650 /nfs/dbraw/zinc/20/36/50/485203650.db2.gz PDLUNYWDKWNSQL-SECBINFHSA-N -1 0 370.387 -0.742 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000659053559 485203244 /nfs/dbraw/zinc/20/32/44/485203244.db2.gz PDLUNYWDKWNSQL-VIFPVBQESA-N -1 0 370.387 -0.742 20 0 FBADRM CC(C)N1CC[C@H](NC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1=O ZINC000659053833 485203378 /nfs/dbraw/zinc/20/33/78/485203378.db2.gz RXEUPSARHHSUEP-JTQLQIEISA-N -1 0 365.390 -0.233 20 0 FBADRM CC(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1=O ZINC000659053834 485203409 /nfs/dbraw/zinc/20/34/09/485203409.db2.gz RXEUPSARHHSUEP-SNVBAGLBSA-N -1 0 365.390 -0.233 20 0 FBADRM CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659053887 485203227 /nfs/dbraw/zinc/20/32/27/485203227.db2.gz TYYCGWHWFHRNOP-SECBINFHSA-N -1 0 351.363 -0.622 20 0 FBADRM CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659053890 485203482 /nfs/dbraw/zinc/20/34/82/485203482.db2.gz TYYCGWHWFHRNOP-VIFPVBQESA-N -1 0 351.363 -0.622 20 0 FBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659054133 485203300 /nfs/dbraw/zinc/20/33/00/485203300.db2.gz VCQSQGNTEVEFBM-SECBINFHSA-N -1 0 357.388 0.000 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659054134 485203461 /nfs/dbraw/zinc/20/34/61/485203461.db2.gz VCQSQGNTEVEFBM-VIFPVBQESA-N -1 0 357.388 0.000 20 0 FBADRM Cn1cc(N2CCN(C(=O)C(=O)Nc3cccnc3C(=O)[O-])CC2)cn1 ZINC000659054390 485203349 /nfs/dbraw/zinc/20/33/49/485203349.db2.gz PSXJXJBTJMSDLA-UHFFFAOYSA-N -1 0 358.358 -0.199 20 0 FBADRM CC[C@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])C(=O)N1CCOCC1 ZINC000659054624 485203232 /nfs/dbraw/zinc/20/32/32/485203232.db2.gz QLTBXSLCOPZTRT-JTQLQIEISA-N -1 0 364.358 -0.528 20 0 FBADRM CC[C@@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])C(=O)N1CCOCC1 ZINC000659054625 485203561 /nfs/dbraw/zinc/20/35/61/485203561.db2.gz QLTBXSLCOPZTRT-SNVBAGLBSA-N -1 0 364.358 -0.528 20 0 FBADRM CC(C)(C)C(=O)NCCNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659054634 485203401 /nfs/dbraw/zinc/20/34/01/485203401.db2.gz QRZVRCPBNJDSQQ-UHFFFAOYSA-N -1 0 367.406 -0.080 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)n1 ZINC000659055110 485203699 /nfs/dbraw/zinc/20/36/99/485203699.db2.gz UMFUYISKMAIWML-SECBINFHSA-N -1 0 363.374 -0.479 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)n1 ZINC000659055113 485203355 /nfs/dbraw/zinc/20/33/55/485203355.db2.gz UMFUYISKMAIWML-VIFPVBQESA-N -1 0 363.374 -0.479 20 0 FBADRM CC(C)C(=O)NCCN(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659055331 485203610 /nfs/dbraw/zinc/20/36/10/485203610.db2.gz GJAFHXNGGFXVBW-UHFFFAOYSA-N -1 0 367.406 -0.128 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)n1 ZINC000659055470 485203331 /nfs/dbraw/zinc/20/33/31/485203331.db2.gz XUURZJQTDADHRC-UHFFFAOYSA-N -1 0 363.374 -0.526 20 0 FBADRM CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000659055543 485203416 /nfs/dbraw/zinc/20/34/16/485203416.db2.gz JNDZAXQMPSAMIT-UHFFFAOYSA-N -1 0 350.331 -0.966 20 0 FBADRM Cn1cc(N2CCN(C(=O)C(=O)Nc3cccnc3C(=O)[O-])CC2=O)cn1 ZINC000659055581 485203594 /nfs/dbraw/zinc/20/35/94/485203594.db2.gz YPNMZFXCUISBJR-UHFFFAOYSA-N -1 0 372.341 -0.673 20 0 FBADRM CCNC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659055885 485203568 /nfs/dbraw/zinc/20/35/68/485203568.db2.gz OOXWEXXFTNLTEV-UHFFFAOYSA-N -1 0 367.406 -0.080 20 0 FBADRM CC1(C)CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CCS1(=O)=O ZINC000659055970 485203521 /nfs/dbraw/zinc/20/35/21/485203521.db2.gz QTQGBCDCLALPJF-UHFFFAOYSA-N -1 0 355.372 -0.246 20 0 FBADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000659055988 485203676 /nfs/dbraw/zinc/20/36/76/485203676.db2.gz QZVVOJJKLCRICY-SECBINFHSA-N -1 0 370.387 -0.742 20 0 FBADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000659055989 485203373 /nfs/dbraw/zinc/20/33/73/485203373.db2.gz QZVVOJJKLCRICY-VIFPVBQESA-N -1 0 370.387 -0.742 20 0 FBADRM CCNC(=O)C1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1 ZINC000659056117 484001772 /nfs/dbraw/zinc/00/17/72/484001772.db2.gz VLIBSSAVDJQLCW-UHFFFAOYSA-N -1 0 351.363 -0.764 20 0 FBADRM COCCN1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1=O ZINC000659056131 484002031 /nfs/dbraw/zinc/00/20/31/484002031.db2.gz VTJRAUNPUIMEJI-UHFFFAOYSA-N -1 0 350.331 -0.965 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659056168 485203717 /nfs/dbraw/zinc/20/37/17/485203717.db2.gz WSCBTCCJPSWPPK-SECBINFHSA-N -1 0 370.387 -0.742 20 0 FBADRM C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659056192 485203645 /nfs/dbraw/zinc/20/36/45/485203645.db2.gz XOYPYBUCRZMGAR-NXEZZACHSA-N -1 0 354.363 -0.751 20 0 FBADRM C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659056193 485203654 /nfs/dbraw/zinc/20/36/54/485203654.db2.gz XOYPYBUCRZMGAR-UWVGGRQHSA-N -1 0 354.363 -0.751 20 0 FBADRM C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659056255 484001292 /nfs/dbraw/zinc/00/12/92/484001292.db2.gz XOYPYBUCRZMGAR-VHSXEESVSA-N -1 0 354.363 -0.751 20 0 FBADRM C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659056256 484002418 /nfs/dbraw/zinc/00/24/18/484002418.db2.gz XOYPYBUCRZMGAR-ZJUUUORDSA-N -1 0 354.363 -0.751 20 0 FBADRM C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659056802 485203557 /nfs/dbraw/zinc/20/35/57/485203557.db2.gz BQTNMQPXMKWKNN-SECBINFHSA-N -1 0 351.363 -0.670 20 0 FBADRM C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659056803 485203474 /nfs/dbraw/zinc/20/34/74/485203474.db2.gz BQTNMQPXMKWKNN-VIFPVBQESA-N -1 0 351.363 -0.670 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)n1 ZINC000659056834 485203659 /nfs/dbraw/zinc/20/36/59/485203659.db2.gz CXHGEWKVPFSJQP-JTQLQIEISA-N -1 0 370.431 -0.032 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)n1 ZINC000659056835 485203358 /nfs/dbraw/zinc/20/33/58/485203358.db2.gz CXHGEWKVPFSJQP-SNVBAGLBSA-N -1 0 370.431 -0.032 20 0 FBADRM COC[C@H]1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C[C@@H](C)O1 ZINC000659056857 485203564 /nfs/dbraw/zinc/20/35/64/485203564.db2.gz DFJRIZFRBYGLLP-GHMZBOCLSA-N -1 0 368.390 -0.096 20 0 FBADRM COC[C@@H]1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C[C@@H](C)O1 ZINC000659056946 485204312 /nfs/dbraw/zinc/20/43/12/485204312.db2.gz DFJRIZFRBYGLLP-MNOVXSKESA-N -1 0 368.390 -0.096 20 0 FBADRM COC[C@@H]1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C[C@H](C)O1 ZINC000659056947 485204117 /nfs/dbraw/zinc/20/41/17/485204117.db2.gz DFJRIZFRBYGLLP-QWRGUYRKSA-N -1 0 368.390 -0.096 20 0 FBADRM COC[C@H]1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C[C@H](C)O1 ZINC000659056948 485204693 /nfs/dbraw/zinc/20/46/93/485204693.db2.gz DFJRIZFRBYGLLP-WDEREUQCSA-N -1 0 368.390 -0.096 20 0 FBADRM CC(=O)N1CCN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)[C@@H](C)C1 ZINC000659056986 485204537 /nfs/dbraw/zinc/20/45/37/485204537.db2.gz FKZCWTKXTVHBEE-JTQLQIEISA-N -1 0 365.390 -0.280 20 0 FBADRM CC(=O)N1CCN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)[C@H](C)C1 ZINC000659056987 485204202 /nfs/dbraw/zinc/20/42/02/485204202.db2.gz FKZCWTKXTVHBEE-SNVBAGLBSA-N -1 0 365.390 -0.280 20 0 FBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000659057158 485203406 /nfs/dbraw/zinc/20/34/06/485203406.db2.gz CVRYNOWCMMAFBB-JTQLQIEISA-N -1 0 361.358 -0.219 20 0 FBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000659057159 485203488 /nfs/dbraw/zinc/20/34/88/485203488.db2.gz CVRYNOWCMMAFBB-SNVBAGLBSA-N -1 0 361.358 -0.219 20 0 FBADRM C[C@H]1OCC[C@H]1N(CCO)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659057224 485204676 /nfs/dbraw/zinc/20/46/76/485204676.db2.gz ACUURYNNOUMCBH-GHMZBOCLSA-N -1 0 368.390 -0.360 20 0 FBADRM C[C@H]1OCC[C@@H]1N(CCO)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659057226 485204108 /nfs/dbraw/zinc/20/41/08/485204108.db2.gz ACUURYNNOUMCBH-MNOVXSKESA-N -1 0 368.390 -0.360 20 0 FBADRM C[C@@H]1OCC[C@@H]1N(CCO)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659057227 485204761 /nfs/dbraw/zinc/20/47/61/485204761.db2.gz ACUURYNNOUMCBH-QWRGUYRKSA-N -1 0 368.390 -0.360 20 0 FBADRM C[C@@H]1OCC[C@H]1N(CCO)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659057229 485204209 /nfs/dbraw/zinc/20/42/09/485204209.db2.gz ACUURYNNOUMCBH-WDEREUQCSA-N -1 0 368.390 -0.360 20 0 FBADRM CN(CC(=O)N1CCOCC1)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659057232 485204520 /nfs/dbraw/zinc/20/45/20/485204520.db2.gz FNIARBCBTCYSJB-UHFFFAOYSA-N -1 0 350.331 -0.965 20 0 FBADRM CCn1nccc1CN(CCO)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659057245 485204390 /nfs/dbraw/zinc/20/43/90/485204390.db2.gz AQAMKLUTMREVDO-UHFFFAOYSA-N -1 0 361.358 -0.044 20 0 FBADRM C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659057407 485204755 /nfs/dbraw/zinc/20/47/55/485204755.db2.gz GOFCLYCYSICTSO-GHMZBOCLSA-N -1 0 368.390 -0.360 20 0 FBADRM C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659057408 485204304 /nfs/dbraw/zinc/20/43/04/485204304.db2.gz GOFCLYCYSICTSO-MNOVXSKESA-N -1 0 368.390 -0.360 20 0 FBADRM C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659057409 485204182 /nfs/dbraw/zinc/20/41/82/485204182.db2.gz GOFCLYCYSICTSO-QWRGUYRKSA-N -1 0 368.390 -0.360 20 0 FBADRM C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659057410 485204532 /nfs/dbraw/zinc/20/45/32/485204532.db2.gz GOFCLYCYSICTSO-WDEREUQCSA-N -1 0 368.390 -0.360 20 0 FBADRM COCCOC1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1 ZINC000659057476 485204470 /nfs/dbraw/zinc/20/44/70/485204470.db2.gz IPTHVJKZLBNMAC-UHFFFAOYSA-N -1 0 354.363 -0.485 20 0 FBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000659057705 485204578 /nfs/dbraw/zinc/20/45/78/485204578.db2.gz HONVVPBGAGUQFA-UHFFFAOYSA-N -1 0 374.332 -0.004 20 0 FBADRM CCN1CCN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CC1=O ZINC000659057707 485204607 /nfs/dbraw/zinc/20/46/07/485204607.db2.gz HOUCHFKPXNVBJM-UHFFFAOYSA-N -1 0 351.363 -0.668 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CCS1(=O)=O ZINC000659057829 485204356 /nfs/dbraw/zinc/20/43/56/485204356.db2.gz FXEMLEVJQLXRBX-SECBINFHSA-N -1 0 355.372 -0.246 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CCS1(=O)=O ZINC000659057832 485204546 /nfs/dbraw/zinc/20/45/46/485204546.db2.gz FXEMLEVJQLXRBX-VIFPVBQESA-N -1 0 355.372 -0.246 20 0 FBADRM COC[C@@H](NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)[C@H]1CCCO1 ZINC000659057841 485204383 /nfs/dbraw/zinc/20/43/83/485204383.db2.gz GAJGFTRIHPLZSM-GHMZBOCLSA-N -1 0 368.390 -0.049 20 0 FBADRM COC[C@@H](NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)[C@@H]1CCCO1 ZINC000659057843 485204502 /nfs/dbraw/zinc/20/45/02/485204502.db2.gz GAJGFTRIHPLZSM-MNOVXSKESA-N -1 0 368.390 -0.049 20 0 FBADRM COC[C@H](NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)[C@@H]1CCCO1 ZINC000659057845 485204604 /nfs/dbraw/zinc/20/46/04/485204604.db2.gz GAJGFTRIHPLZSM-QWRGUYRKSA-N -1 0 368.390 -0.049 20 0 FBADRM COC[C@H](NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)[C@H]1CCCO1 ZINC000659057847 485204517 /nfs/dbraw/zinc/20/45/17/485204517.db2.gz GAJGFTRIHPLZSM-WDEREUQCSA-N -1 0 368.390 -0.049 20 0 FBADRM CNC(=O)[C@H](CC(C)C)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659057920 485204702 /nfs/dbraw/zinc/20/47/02/485204702.db2.gz KXHHZBQCFUEJLW-JTQLQIEISA-N -1 0 367.406 -0.082 20 0 FBADRM COCCCOC1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1 ZINC000659057961 485204264 /nfs/dbraw/zinc/20/42/64/485204264.db2.gz LSYKPZPGILGNCH-UHFFFAOYSA-N -1 0 368.390 -0.095 20 0 FBADRM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659057988 485204271 /nfs/dbraw/zinc/20/42/71/485204271.db2.gz HBHOEGYNYREDHZ-GXSJLCMTSA-N -1 0 353.375 -0.008 20 0 FBADRM CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659057990 485204288 /nfs/dbraw/zinc/20/42/88/485204288.db2.gz HBHOEGYNYREDHZ-KOLCDFICSA-N -1 0 353.375 -0.008 20 0 FBADRM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659057992 485204507 /nfs/dbraw/zinc/20/45/07/485204507.db2.gz HBHOEGYNYREDHZ-MWLCHTKSSA-N -1 0 353.375 -0.008 20 0 FBADRM CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659057994 485204405 /nfs/dbraw/zinc/20/44/05/485204405.db2.gz HBHOEGYNYREDHZ-ONGXEEELSA-N -1 0 353.375 -0.008 20 0 FBADRM CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1 ZINC000659058021 485204590 /nfs/dbraw/zinc/20/45/90/485204590.db2.gz HLAUJGLWWWRKFR-INIZCTEOSA-N -1 0 365.390 -0.374 20 0 FBADRM CNC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1 ZINC000659058023 485204573 /nfs/dbraw/zinc/20/45/73/485204573.db2.gz HLAUJGLWWWRKFR-MRXNPFEDSA-N -1 0 365.390 -0.374 20 0 FBADRM CCOC1CC(O)(CNC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1 ZINC000659058058 485204195 /nfs/dbraw/zinc/20/41/95/485204195.db2.gz HXJMXKAICYUFBN-UHFFFAOYSA-N -1 0 368.390 -0.313 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CC(=O)N1C ZINC000659058065 485204491 /nfs/dbraw/zinc/20/44/91/485204491.db2.gz IJHGICCBCSRZGQ-SECBINFHSA-N -1 0 351.363 -0.670 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CC(=O)N1C ZINC000659058067 485204280 /nfs/dbraw/zinc/20/42/80/485204280.db2.gz IJHGICCBCSRZGQ-VIFPVBQESA-N -1 0 351.363 -0.670 20 0 FBADRM CC(C)OC[C@@H](CO)N(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659058083 485204551 /nfs/dbraw/zinc/20/45/51/485204551.db2.gz IUIGSGTUKQQLCP-LLVKDONJSA-N -1 0 370.406 -0.114 20 0 FBADRM CC(C)OC[C@H](CO)N(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659058084 485204650 /nfs/dbraw/zinc/20/46/50/485204650.db2.gz IUIGSGTUKQQLCP-NSHDSACASA-N -1 0 370.406 -0.114 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CCS(=O)(=O)C1 ZINC000659058098 485204045 /nfs/dbraw/zinc/20/40/45/485204045.db2.gz JDKFALGNJDTJLQ-SECBINFHSA-N -1 0 355.372 -0.389 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CCS(=O)(=O)C1 ZINC000659058099 485204542 /nfs/dbraw/zinc/20/45/42/485204542.db2.gz JDKFALGNJDTJLQ-VIFPVBQESA-N -1 0 355.372 -0.389 20 0 FBADRM CCOCCOC1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1 ZINC000659058212 484003743 /nfs/dbraw/zinc/00/37/43/484003743.db2.gz MJHRNXJLVFPUFR-UHFFFAOYSA-N -1 0 368.390 -0.095 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CCSC[C@H]2CO)n1 ZINC000659058303 485204223 /nfs/dbraw/zinc/20/42/23/485204223.db2.gz MVVKHFWQBKDBBJ-SECBINFHSA-N -1 0 356.404 -0.422 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CO)n1 ZINC000659058306 485204479 /nfs/dbraw/zinc/20/44/79/485204479.db2.gz MVVKHFWQBKDBBJ-VIFPVBQESA-N -1 0 356.404 -0.422 20 0 FBADRM CCNC(=O)[C@@H](NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)C(C)C ZINC000659058333 485204683 /nfs/dbraw/zinc/20/46/83/485204683.db2.gz BMXZPKFTIUFBMQ-NSHDSACASA-N -1 0 367.406 -0.082 20 0 FBADRM COCCN(C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)[C@@H]1CCOC1 ZINC000659058439 485204750 /nfs/dbraw/zinc/20/47/50/485204750.db2.gz JWYXGQUQUQAUCI-LLVKDONJSA-N -1 0 368.390 -0.095 20 0 FBADRM COCCN(C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)[C@H]1CCOC1 ZINC000659058440 485204707 /nfs/dbraw/zinc/20/47/07/485204707.db2.gz JWYXGQUQUQAUCI-NSHDSACASA-N -1 0 368.390 -0.095 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CC(=O)N(CC3CC3)C2)n1 ZINC000659058489 485204557 /nfs/dbraw/zinc/20/45/57/485204557.db2.gz LMCVXYUVJHOIQZ-UHFFFAOYSA-N -1 0 363.374 -0.320 20 0 FBADRM COCC[C@@H]1COCCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659058683 485204217 /nfs/dbraw/zinc/20/42/17/485204217.db2.gz DSQFARQWAMFUFG-LLVKDONJSA-N -1 0 368.390 -0.095 20 0 FBADRM COCC[C@H]1COCCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659058686 485204059 /nfs/dbraw/zinc/20/40/59/485204059.db2.gz DSQFARQWAMFUFG-NSHDSACASA-N -1 0 368.390 -0.095 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C[C@H](C)S1(=O)=O ZINC000659058707 485204412 /nfs/dbraw/zinc/20/44/12/485204412.db2.gz FNUBGSRCBASEBW-DTORHVGOSA-N -1 0 355.372 -0.248 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C[C@H](C)S1(=O)=O ZINC000659058708 485204399 /nfs/dbraw/zinc/20/43/99/485204399.db2.gz FNUBGSRCBASEBW-IUCAKERBSA-N -1 0 355.372 -0.248 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C[C@@H](C)S1(=O)=O ZINC000659058709 485204599 /nfs/dbraw/zinc/20/45/99/485204599.db2.gz FNUBGSRCBASEBW-RKDXNWHRSA-N -1 0 355.372 -0.248 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CCN1S(C)(=O)=O ZINC000659058737 485204719 /nfs/dbraw/zinc/20/47/19/485204719.db2.gz NPRKAUMESVCWIE-VIFPVBQESA-N -1 0 370.387 -0.789 20 0 FBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000659058815 484006010 /nfs/dbraw/zinc/00/60/10/484006010.db2.gz PHYGPQKNLUVUQT-SECBINFHSA-N -1 0 355.372 -0.246 20 0 FBADRM CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)C(N)=O ZINC000659058847 485204320 /nfs/dbraw/zinc/20/43/20/485204320.db2.gz PFNLGHXHZWDKIP-SECBINFHSA-N -1 0 353.379 -0.343 20 0 FBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000659058858 484005793 /nfs/dbraw/zinc/00/57/93/484005793.db2.gz PHYGPQKNLUVUQT-VIFPVBQESA-N -1 0 355.372 -0.246 20 0 FBADRM CCN1CCCN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CC1=O ZINC000659058875 485204337 /nfs/dbraw/zinc/20/43/37/485204337.db2.gz QAHNJGBLJGCZFV-UHFFFAOYSA-N -1 0 365.390 -0.278 20 0 FBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CC(=O)NC(=O)C12CCCCC2 ZINC000659059148 485204086 /nfs/dbraw/zinc/20/40/86/485204086.db2.gz RDCYSSJWCFBHRF-UHFFFAOYSA-N -1 0 374.353 -0.094 20 0 FBADRM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659059151 485204594 /nfs/dbraw/zinc/20/45/94/485204594.db2.gz RIBRJWIQZVFRGR-NXEZZACHSA-N -1 0 365.390 -0.246 20 0 FBADRM C[C@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659059152 485204345 /nfs/dbraw/zinc/20/43/45/485204345.db2.gz RIBRJWIQZVFRGR-UWVGGRQHSA-N -1 0 365.390 -0.246 20 0 FBADRM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659059153 485204562 /nfs/dbraw/zinc/20/45/62/485204562.db2.gz RIBRJWIQZVFRGR-VHSXEESVSA-N -1 0 365.390 -0.246 20 0 FBADRM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659059154 485204767 /nfs/dbraw/zinc/20/47/67/485204767.db2.gz RIBRJWIQZVFRGR-ZJUUUORDSA-N -1 0 365.390 -0.246 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)n1 ZINC000659059267 485204512 /nfs/dbraw/zinc/20/45/12/485204512.db2.gz RJSMFVSXQBSSQY-NXEZZACHSA-N -1 0 365.390 -0.198 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C(N)=O)n1 ZINC000659059270 485204189 /nfs/dbraw/zinc/20/41/89/485204189.db2.gz RJSMFVSXQBSSQY-UWVGGRQHSA-N -1 0 365.390 -0.198 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)n1 ZINC000659059273 485204497 /nfs/dbraw/zinc/20/44/97/485204497.db2.gz RJSMFVSXQBSSQY-VHSXEESVSA-N -1 0 365.390 -0.198 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C(N)=O)n1 ZINC000659059275 485204039 /nfs/dbraw/zinc/20/40/39/485204039.db2.gz RJSMFVSXQBSSQY-ZJUUUORDSA-N -1 0 365.390 -0.198 20 0 FBADRM CC(C)[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659059316 485204714 /nfs/dbraw/zinc/20/47/14/485204714.db2.gz RRQAGLOLGSNGJJ-LLVKDONJSA-N -1 0 365.390 -0.376 20 0 FBADRM CC(C)[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659059319 485204365 /nfs/dbraw/zinc/20/43/65/485204365.db2.gz RRQAGLOLGSNGJJ-NSHDSACASA-N -1 0 365.390 -0.376 20 0 FBADRM CC[C@H](CNS(C)(=O)=O)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659059397 484005806 /nfs/dbraw/zinc/00/58/06/484005806.db2.gz CQJPHBDDAVOEOJ-MRVPVSSYSA-N -1 0 358.376 -0.838 20 0 FBADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000659059399 484005815 /nfs/dbraw/zinc/00/58/15/484005815.db2.gz CQJPHBDDAVOEOJ-QMMMGPOBSA-N -1 0 358.376 -0.838 20 0 FBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000659059406 485204526 /nfs/dbraw/zinc/20/45/26/485204526.db2.gz QAFJFBXYHKFDHK-UHFFFAOYSA-N -1 0 360.248 -0.091 20 0 FBADRM CC(C)N1CCN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CC1=O ZINC000659059594 485204101 /nfs/dbraw/zinc/20/41/01/485204101.db2.gz USURPRKEKVSUNC-UHFFFAOYSA-N -1 0 365.390 -0.280 20 0 FBADRM CCN1C[C@H](NC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CC1=O ZINC000659059778 485204687 /nfs/dbraw/zinc/20/46/87/485204687.db2.gz FZEVCILUSOIFDA-SECBINFHSA-N -1 0 351.363 -0.622 20 0 FBADRM CCN1C[C@@H](NC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CC1=O ZINC000659059780 485204373 /nfs/dbraw/zinc/20/43/73/485204373.db2.gz FZEVCILUSOIFDA-VIFPVBQESA-N -1 0 351.363 -0.622 20 0 FBADRM CO[C@@H]1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C[C@@H]1OC ZINC000659059891 485204568 /nfs/dbraw/zinc/20/45/68/485204568.db2.gz VDSRZDRJQSYTRD-AOOOYVTPSA-N -1 0 354.363 -0.487 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C[C@H](CO)O1 ZINC000659060072 485204092 /nfs/dbraw/zinc/20/40/92/485204092.db2.gz XRVPJIPCLFZDAF-NXEZZACHSA-N -1 0 354.363 -0.751 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C[C@@H](CO)O1 ZINC000659060074 485204583 /nfs/dbraw/zinc/20/45/83/485204583.db2.gz XRVPJIPCLFZDAF-UWVGGRQHSA-N -1 0 354.363 -0.751 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C[C@H](CO)O1 ZINC000659060076 484008582 /nfs/dbraw/zinc/00/85/82/484008582.db2.gz XRVPJIPCLFZDAF-VHSXEESVSA-N -1 0 354.363 -0.751 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C[C@@H](CO)O1 ZINC000659060080 484011336 /nfs/dbraw/zinc/01/13/36/484011336.db2.gz XRVPJIPCLFZDAF-ZJUUUORDSA-N -1 0 354.363 -0.751 20 0 FBADRM COCCO[C@@H]1CCN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1 ZINC000659060126 485204032 /nfs/dbraw/zinc/20/40/32/485204032.db2.gz XCCPRWFNDIYYBI-LLVKDONJSA-N -1 0 368.390 -0.095 20 0 FBADRM COCCO[C@H]1CCN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1 ZINC000659060131 485204474 /nfs/dbraw/zinc/20/44/74/485204474.db2.gz XCCPRWFNDIYYBI-NSHDSACASA-N -1 0 368.390 -0.095 20 0 FBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)Nc2cccnc2C(=O)[O-])O1 ZINC000659060181 485204233 /nfs/dbraw/zinc/20/42/33/485204233.db2.gz XMDSRJFUNPMPEM-GXSJLCMTSA-N -1 0 364.358 -0.530 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)Nc2cccnc2C(=O)[O-])O1 ZINC000659060184 485204173 /nfs/dbraw/zinc/20/41/73/485204173.db2.gz XMDSRJFUNPMPEM-KOLCDFICSA-N -1 0 364.358 -0.530 20 0 FBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)Nc2cccnc2C(=O)[O-])O1 ZINC000659060189 485204464 /nfs/dbraw/zinc/20/44/64/485204464.db2.gz XMDSRJFUNPMPEM-MWLCHTKSSA-N -1 0 364.358 -0.530 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)Nc2cccnc2C(=O)[O-])O1 ZINC000659060194 485204690 /nfs/dbraw/zinc/20/46/90/485204690.db2.gz XMDSRJFUNPMPEM-ONGXEEELSA-N -1 0 364.358 -0.530 20 0 FBADRM CCO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659060275 485204241 /nfs/dbraw/zinc/20/42/41/485204241.db2.gz KZVLMIMHXYIYGG-NXEZZACHSA-N -1 0 354.363 -0.439 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1=O ZINC000659060387 485204066 /nfs/dbraw/zinc/20/40/66/485204066.db2.gz ZSAZOZPKKKAFIC-UHFFFAOYSA-N -1 0 364.358 -0.574 20 0 FBADRM CCC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659060400 485204725 /nfs/dbraw/zinc/20/47/25/485204725.db2.gz ZWVMTCYDTJSDNA-JTQLQIEISA-N -1 0 365.390 -0.232 20 0 FBADRM CCC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659060402 485204053 /nfs/dbraw/zinc/20/40/53/485204053.db2.gz ZWVMTCYDTJSDNA-SNVBAGLBSA-N -1 0 365.390 -0.232 20 0 FBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 ZINC000659060830 485204330 /nfs/dbraw/zinc/20/43/30/485204330.db2.gz MRZYHAXAUQQKIF-GHMZBOCLSA-N -1 0 367.383 -0.104 20 0 FBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 ZINC000659060832 485204296 /nfs/dbraw/zinc/20/42/96/485204296.db2.gz MRZYHAXAUQQKIF-MNOVXSKESA-N -1 0 367.383 -0.104 20 0 FBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 ZINC000659060833 485204250 /nfs/dbraw/zinc/20/42/50/485204250.db2.gz MRZYHAXAUQQKIF-QWRGUYRKSA-N -1 0 367.383 -0.104 20 0 FBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 ZINC000659060834 485204487 /nfs/dbraw/zinc/20/44/87/485204487.db2.gz MRZYHAXAUQQKIF-WDEREUQCSA-N -1 0 367.383 -0.104 20 0 FBADRM CN1CCc2cc(NC(=O)C(=O)N3CCO[C@@H](C(=O)[O-])C3)ccc2C1=O ZINC000659060851 485204659 /nfs/dbraw/zinc/20/46/59/485204659.db2.gz DWRAOMIIURLAIY-CYBMUJFWSA-N -1 0 361.354 -0.435 20 0 FBADRM CN1CCc2cc(NC(=O)C(=O)N3CCO[C@H](C(=O)[O-])C3)ccc2C1=O ZINC000659060853 485204654 /nfs/dbraw/zinc/20/46/54/485204654.db2.gz DWRAOMIIURLAIY-ZDUSSCGKSA-N -1 0 361.354 -0.435 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1)C(=O)[O-] ZINC000659061120 485204079 /nfs/dbraw/zinc/20/40/79/485204079.db2.gz PQWGAVQYFWSJHH-JTQLQIEISA-N -1 0 369.399 -0.250 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1)C(=O)[O-] ZINC000659061122 485204665 /nfs/dbraw/zinc/20/46/65/485204665.db2.gz PQWGAVQYFWSJHH-SNVBAGLBSA-N -1 0 369.399 -0.250 20 0 FBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000659061369 485205619 /nfs/dbraw/zinc/20/56/19/485205619.db2.gz USEFVIQBUIJMCJ-UHFFFAOYSA-N -1 0 374.275 -0.049 20 0 FBADRM CN(C(=O)C(=O)Nc1cccnc1C(=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000659061527 485205656 /nfs/dbraw/zinc/20/56/56/485205656.db2.gz XDUCOYHMZSGEPI-SECBINFHSA-N -1 0 370.387 -0.789 20 0 FBADRM CN(C(=O)C(=O)Nc1cccnc1C(=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000659061529 484016034 /nfs/dbraw/zinc/01/60/34/484016034.db2.gz XDUCOYHMZSGEPI-VIFPVBQESA-N -1 0 370.387 -0.789 20 0 FBADRM CN(C)C(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000659061543 485205204 /nfs/dbraw/zinc/20/52/04/485205204.db2.gz WLOXKKGKCGTHEX-JTQLQIEISA-N -1 0 363.374 -0.020 20 0 FBADRM CN(C)C(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000659061544 485205399 /nfs/dbraw/zinc/20/53/99/485205399.db2.gz WLOXKKGKCGTHEX-SNVBAGLBSA-N -1 0 363.374 -0.020 20 0 FBADRM COCC[C@@H](COC)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659061936 485205378 /nfs/dbraw/zinc/20/53/78/485205378.db2.gz ZWTZJLKJLKHRQE-JTQLQIEISA-N -1 0 356.379 -0.191 20 0 FBADRM COCC[C@H](COC)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659061938 485205499 /nfs/dbraw/zinc/20/54/99/485205499.db2.gz ZWTZJLKJLKHRQE-SNVBAGLBSA-N -1 0 356.379 -0.191 20 0 FBADRM CN1CCc2c(NC(=O)C(=O)N3CCO[C@@H](C(=O)[O-])C3)cccc2C1=O ZINC000659062072 485205577 /nfs/dbraw/zinc/20/55/77/485205577.db2.gz JWHIFAYFCZHNMT-CYBMUJFWSA-N -1 0 361.354 -0.435 20 0 FBADRM CN1CCc2c(NC(=O)C(=O)N3CCO[C@H](C(=O)[O-])C3)cccc2C1=O ZINC000659062073 485205418 /nfs/dbraw/zinc/20/54/18/485205418.db2.gz JWHIFAYFCZHNMT-ZDUSSCGKSA-N -1 0 361.354 -0.435 20 0 FBADRM Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N[C@H](C)C(=O)[O-] ZINC000659062146 485205492 /nfs/dbraw/zinc/20/54/92/485205492.db2.gz AMPUCNFZYDVYEO-LLVKDONJSA-N -1 0 363.370 -0.005 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)C(=O)[O-] ZINC000659062181 485205295 /nfs/dbraw/zinc/20/52/95/485205295.db2.gz BYVQHOPNVDTORY-SECBINFHSA-N -1 0 351.363 -0.530 20 0 FBADRM CC(=O)N1CCN(c2cccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])c2)CC1 ZINC000659062188 485205393 /nfs/dbraw/zinc/20/53/93/485205393.db2.gz CBNBPMXNBVMFQD-LLVKDONJSA-N -1 0 362.386 -0.117 20 0 FBADRM Cn1cnnc1N1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1 ZINC000659062196 485205081 /nfs/dbraw/zinc/20/50/81/485205081.db2.gz CIHPLFZJYKYKMD-UHFFFAOYSA-N -1 0 359.346 -0.804 20 0 FBADRM Cc1c(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cccc1S(=O)(=O)NC1CC1 ZINC000659062216 485205075 /nfs/dbraw/zinc/20/50/75/485205075.db2.gz CUKANLIVIVWYCI-SECBINFHSA-N -1 0 369.399 -0.036 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000659062360 484015207 /nfs/dbraw/zinc/01/52/07/484015207.db2.gz FOSWUFSCGPURTC-SSDOTTSWSA-N -1 0 361.351 -0.396 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)C(=O)[O-] ZINC000659062430 485205302 /nfs/dbraw/zinc/20/53/02/485205302.db2.gz HYWMZVSRSNOXAC-MRVPVSSYSA-N -1 0 373.362 -0.107 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F)C(=O)[O-] ZINC000659062548 485205632 /nfs/dbraw/zinc/20/56/32/485205632.db2.gz IOCHUDPHQAWGJW-SSDOTTSWSA-N -1 0 361.351 -0.396 20 0 FBADRM CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1OC ZINC000659062554 485205118 /nfs/dbraw/zinc/20/51/18/485205118.db2.gz IQIXBFIQKTZQGB-MRVPVSSYSA-N -1 0 373.387 -0.015 20 0 FBADRM Cc1c(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cccc1C(=O)N1CCOCC1 ZINC000659062570 485205173 /nfs/dbraw/zinc/20/51/73/485205173.db2.gz JCTHCAIWNABYPZ-LLVKDONJSA-N -1 0 363.370 -0.005 20 0 FBADRM COc1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1NS(C)(=O)=O ZINC000659062578 485205639 /nfs/dbraw/zinc/20/56/39/485205639.db2.gz JLWIFCZZXLFRLB-SSDOTTSWSA-N -1 0 359.360 -0.406 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000659062584 485205438 /nfs/dbraw/zinc/20/54/38/485205438.db2.gz JPXYZUQCQGMUAD-RXMQYKEDSA-N -1 0 350.299 -0.104 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1)C(=O)[O-] ZINC000659062591 485205664 /nfs/dbraw/zinc/20/56/64/485205664.db2.gz KDEBJAHUYWWAAK-SECBINFHSA-N -1 0 369.399 -0.003 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000659062618 485205069 /nfs/dbraw/zinc/20/50/69/485205069.db2.gz LKLVNSWHWUUKLS-SECBINFHSA-N -1 0 369.399 -0.036 20 0 FBADRM Cn1cc(-c2cccc(NC(=O)C(=O)N3CCO[C@@H](C(=O)[O-])C3)c2)nn1 ZINC000659062770 485205132 /nfs/dbraw/zinc/20/51/32/485205132.db2.gz WYNSFOWCUQOSFU-CYBMUJFWSA-N -1 0 359.342 -0.267 20 0 FBADRM Cn1cc(-c2cccc(NC(=O)C(=O)N3CCO[C@H](C(=O)[O-])C3)c2)nn1 ZINC000659062771 485205482 /nfs/dbraw/zinc/20/54/82/485205482.db2.gz WYNSFOWCUQOSFU-ZDUSSCGKSA-N -1 0 359.342 -0.267 20 0 FBADRM COc1cc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])ccc1S(=O)(=O)N(C)C ZINC000659062851 484016050 /nfs/dbraw/zinc/01/60/50/484016050.db2.gz NWWXLMCGXBZLHE-MRVPVSSYSA-N -1 0 373.387 -0.527 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])c(OCC(=O)N(C)C)c1 ZINC000659062872 485205223 /nfs/dbraw/zinc/20/52/23/485205223.db2.gz OLNDGHRBIZUKHL-SNVBAGLBSA-N -1 0 351.359 -0.010 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1)C(=O)[O-] ZINC000659062882 485205411 /nfs/dbraw/zinc/20/54/11/485205411.db2.gz OUYKDSUKFLNFAD-SECBINFHSA-N -1 0 367.333 -0.174 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)C(=O)[O-] ZINC000659062899 485205157 /nfs/dbraw/zinc/20/51/57/485205157.db2.gz PTCGRPZIGWVNJL-SSDOTTSWSA-N -1 0 373.362 -0.206 20 0 FBADRM Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)N[C@H](C)C(=O)[O-] ZINC000659062910 485205387 /nfs/dbraw/zinc/20/53/87/485205387.db2.gz PUVVGXBHGUIAEM-LLVKDONJSA-N -1 0 363.370 -0.005 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)[O-] ZINC000659063113 485205424 /nfs/dbraw/zinc/20/54/24/485205424.db2.gz QXWFNYKDKLKXDX-MRVPVSSYSA-N -1 0 355.372 -0.345 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1C(=O)N1CCOCC1 ZINC000659063152 485205052 /nfs/dbraw/zinc/20/50/52/485205052.db2.gz SQMURNCSODNUEU-LLVKDONJSA-N -1 0 363.370 -0.005 20 0 FBADRM COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000659063154 485205354 /nfs/dbraw/zinc/20/53/54/485205354.db2.gz SRPYXXQKMVXLQP-SECBINFHSA-N -1 0 358.372 -0.366 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O)C(=O)[O-] ZINC000659063179 485205027 /nfs/dbraw/zinc/20/50/27/485205027.db2.gz UFHCZMRUBODRFY-MRVPVSSYSA-N -1 0 355.372 -0.464 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(C(N)=O)cc1OCC(F)F)C(=O)[O-] ZINC000659063182 485205368 /nfs/dbraw/zinc/20/53/68/485205368.db2.gz UGINEGKSBITIDP-ZCFIWIBFSA-N -1 0 359.285 -0.043 20 0 FBADRM COc1ccc(NS(C)(=O)=O)cc1NC(=O)C(=O)N[C@H](C)C(=O)[O-] ZINC000659063280 485205348 /nfs/dbraw/zinc/20/53/48/485205348.db2.gz VMQZEXORJZISJK-SSDOTTSWSA-N -1 0 359.360 -0.406 20 0 FBADRM Cc1c(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cccc1S(=O)(=O)N(C)C ZINC000659063388 485205452 /nfs/dbraw/zinc/20/54/52/485205452.db2.gz YNDYSIJXWDMLJM-SECBINFHSA-N -1 0 357.388 -0.227 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)C(=O)[O-] ZINC000659063396 485205649 /nfs/dbraw/zinc/20/56/49/485205649.db2.gz YSLFUSWLXGFCKK-MRVPVSSYSA-N -1 0 373.362 -0.107 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1cc(C(N)=O)ccc1OCC(F)F)C(=O)[O-] ZINC000659063425 484015934 /nfs/dbraw/zinc/01/59/34/484015934.db2.gz ZVAXGAMYZNZFOT-ZCFIWIBFSA-N -1 0 359.285 -0.043 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)[O-] ZINC000659063577 485205339 /nfs/dbraw/zinc/20/53/39/485205339.db2.gz ABZRNMFZQUYRET-SNVBAGLBSA-N -1 0 369.399 -0.001 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1)C(=O)[O-] ZINC000659063739 484018088 /nfs/dbraw/zinc/01/80/88/484018088.db2.gz DNEKHIYJFKKYLO-SECBINFHSA-N -1 0 355.372 -0.246 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000659063779 485205100 /nfs/dbraw/zinc/20/51/00/485205100.db2.gz FHRWXKQJSHMUFL-LLVKDONJSA-N -1 0 363.370 -0.384 20 0 FBADRM CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000659063943 485205022 /nfs/dbraw/zinc/20/50/22/485205022.db2.gz HVXMMZGDOLVNRL-SECBINFHSA-N -1 0 357.388 -0.099 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000659064109 485205361 /nfs/dbraw/zinc/20/53/61/485205361.db2.gz DTXPDCKSKJLEAK-NEPJUHHUSA-N -1 0 370.383 -0.820 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000659064111 485205606 /nfs/dbraw/zinc/20/56/06/485205606.db2.gz DTXPDCKSKJLEAK-NWDGAFQWSA-N -1 0 370.383 -0.820 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000659064113 485205033 /nfs/dbraw/zinc/20/50/33/485205033.db2.gz DTXPDCKSKJLEAK-RYUDHWBXSA-N -1 0 370.383 -0.820 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000659064115 485205192 /nfs/dbraw/zinc/20/51/92/485205192.db2.gz DTXPDCKSKJLEAK-VXGBXAGGSA-N -1 0 370.383 -0.820 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1)C(=O)[O-] ZINC000659064270 485205548 /nfs/dbraw/zinc/20/55/48/485205548.db2.gz LJHSNALFODWSCS-MRVPVSSYSA-N -1 0 355.372 -0.345 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000659064538 485205139 /nfs/dbraw/zinc/20/51/39/485205139.db2.gz MVLRROUBIDOBHP-SECBINFHSA-N -1 0 357.388 -0.227 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccnc(OCCO)c2)C1 ZINC000659064574 485205046 /nfs/dbraw/zinc/20/50/46/485205046.db2.gz OCUULMYOYUWNRA-GHMZBOCLSA-N -1 0 351.359 -0.040 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccnc(OCCO)c2)C1 ZINC000659064577 485205599 /nfs/dbraw/zinc/20/55/99/485205599.db2.gz OCUULMYOYUWNRA-MNOVXSKESA-N -1 0 351.359 -0.040 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccnc(OCCO)c2)C1 ZINC000659064581 485205374 /nfs/dbraw/zinc/20/53/74/485205374.db2.gz OCUULMYOYUWNRA-QWRGUYRKSA-N -1 0 351.359 -0.040 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccnc(OCCO)c2)C1 ZINC000659064584 485205511 /nfs/dbraw/zinc/20/55/11/485205511.db2.gz OCUULMYOYUWNRA-WDEREUQCSA-N -1 0 351.359 -0.040 20 0 FBADRM CN(CCCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-])S(C)(=O)=O ZINC000659064970 485205179 /nfs/dbraw/zinc/20/51/79/485205179.db2.gz SIOBFIDGLAELTR-UHFFFAOYSA-N -1 0 371.415 -0.350 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000659065121 485205449 /nfs/dbraw/zinc/20/54/49/485205449.db2.gz PIWHLGCICRSNLO-NEPJUHHUSA-N -1 0 370.383 -0.440 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000659065125 485205284 /nfs/dbraw/zinc/20/52/84/485205284.db2.gz PIWHLGCICRSNLO-NWDGAFQWSA-N -1 0 370.383 -0.440 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000659065127 485205169 /nfs/dbraw/zinc/20/51/69/485205169.db2.gz PIWHLGCICRSNLO-RYUDHWBXSA-N -1 0 370.383 -0.440 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000659065129 485205432 /nfs/dbraw/zinc/20/54/32/485205432.db2.gz PIWHLGCICRSNLO-VXGBXAGGSA-N -1 0 370.383 -0.440 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000659065179 485205459 /nfs/dbraw/zinc/20/54/59/485205459.db2.gz QUHPUJFVXVJCIA-NEPJUHHUSA-N -1 0 370.383 -0.820 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000659065181 485205248 /nfs/dbraw/zinc/20/52/48/485205248.db2.gz QUHPUJFVXVJCIA-NWDGAFQWSA-N -1 0 370.383 -0.820 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000659065183 485205585 /nfs/dbraw/zinc/20/55/85/485205585.db2.gz QUHPUJFVXVJCIA-RYUDHWBXSA-N -1 0 370.383 -0.820 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000659065184 485205040 /nfs/dbraw/zinc/20/50/40/485205040.db2.gz QUHPUJFVXVJCIA-VXGBXAGGSA-N -1 0 370.383 -0.820 20 0 FBADRM CN(CCCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)S(C)(=O)=O ZINC000659065249 484017181 /nfs/dbraw/zinc/01/71/81/484017181.db2.gz TVQLYMZEKWETOA-UHFFFAOYSA-N -1 0 371.415 -0.350 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)[O-] ZINC000659065290 484017762 /nfs/dbraw/zinc/01/77/62/484017762.db2.gz UVKGYSHHEHSBDH-SECBINFHSA-N -1 0 355.372 -0.246 20 0 FBADRM CN(CCCNC(=O)C(=O)Nc1ccccc1C(=O)[O-])S(C)(=O)=O ZINC000659065355 485205210 /nfs/dbraw/zinc/20/52/10/485205210.db2.gz WPZKFUHLVUZTDK-UHFFFAOYSA-N -1 0 357.388 -0.279 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000659065389 485205309 /nfs/dbraw/zinc/20/53/09/485205309.db2.gz RSGOOAUSXWAPLY-GHMZBOCLSA-N -1 0 374.346 -0.609 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000659065390 485205058 /nfs/dbraw/zinc/20/50/58/485205058.db2.gz RSGOOAUSXWAPLY-MNOVXSKESA-N -1 0 374.346 -0.609 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000659065391 485205198 /nfs/dbraw/zinc/20/51/98/485205198.db2.gz RSGOOAUSXWAPLY-QWRGUYRKSA-N -1 0 374.346 -0.609 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000659065392 485205105 /nfs/dbraw/zinc/20/51/05/485205105.db2.gz RSGOOAUSXWAPLY-WDEREUQCSA-N -1 0 374.346 -0.609 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000659065423 485205676 /nfs/dbraw/zinc/20/56/76/485205676.db2.gz SZCSBQMTNVWGMK-GHMZBOCLSA-N -1 0 356.356 -0.749 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000659065425 485205088 /nfs/dbraw/zinc/20/50/88/485205088.db2.gz SZCSBQMTNVWGMK-MNOVXSKESA-N -1 0 356.356 -0.749 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000659065427 484017359 /nfs/dbraw/zinc/01/73/59/484017359.db2.gz SZCSBQMTNVWGMK-QWRGUYRKSA-N -1 0 356.356 -0.749 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000659065430 484017739 /nfs/dbraw/zinc/01/77/39/484017739.db2.gz SZCSBQMTNVWGMK-WDEREUQCSA-N -1 0 356.356 -0.749 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000659065482 485205563 /nfs/dbraw/zinc/20/55/63/485205563.db2.gz VJSKUVLBMZAHCZ-GHMZBOCLSA-N -1 0 356.356 -0.749 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000659065484 485205290 /nfs/dbraw/zinc/20/52/90/485205290.db2.gz VJSKUVLBMZAHCZ-MNOVXSKESA-N -1 0 356.356 -0.749 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000659065485 485205468 /nfs/dbraw/zinc/20/54/68/485205468.db2.gz VJSKUVLBMZAHCZ-QWRGUYRKSA-N -1 0 356.356 -0.749 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000659065486 485205278 /nfs/dbraw/zinc/20/52/78/485205278.db2.gz VJSKUVLBMZAHCZ-WDEREUQCSA-N -1 0 356.356 -0.749 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)[O-] ZINC000659065513 485205186 /nfs/dbraw/zinc/20/51/86/485205186.db2.gz YQVBTWFFHLSXRH-SNVBAGLBSA-N -1 0 369.399 -0.001 20 0 FBADRM COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N[C@H](C)C(=O)[O-] ZINC000659065579 485205146 /nfs/dbraw/zinc/20/51/46/485205146.db2.gz ZSFCZASSSLFVNL-MRVPVSSYSA-N -1 0 373.387 -0.527 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1cnn(CC(F)F)c1)C2 ZINC000659065807 485205538 /nfs/dbraw/zinc/20/55/38/485205538.db2.gz BKZWWDINEBVBRQ-XLKFXECMSA-N -1 0 358.301 -0.354 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1ccc(-n3cncn3)nc1)C2 ZINC000659065825 485205230 /nfs/dbraw/zinc/20/52/30/485205230.db2.gz CDMSOMLTNJYPLL-QLJPJBMISA-N -1 0 372.341 -0.840 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1ccc(-n3ccnn3)cc1)C2 ZINC000659065846 485205443 /nfs/dbraw/zinc/20/54/43/485205443.db2.gz DBWXAHYOMACMSH-PIGZYNQJSA-N -1 0 371.353 -0.235 20 0 FBADRM CNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC000659065857 485205267 /nfs/dbraw/zinc/20/52/67/485205267.db2.gz DWYGAHCGFRREPL-PIGZYNQJSA-N -1 0 361.354 -0.456 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1ccccc1-n1cncn1)C2 ZINC000659066000 485205568 /nfs/dbraw/zinc/20/55/68/485205568.db2.gz GHTTYABTZPKKJK-PIGZYNQJSA-N -1 0 371.353 -0.235 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)Nc2ccnc(OCCO)c2)C[C@H]1C(=O)[O-] ZINC000659066017 485205255 /nfs/dbraw/zinc/20/52/55/485205255.db2.gz YDZLSYBWEZGRMS-CMPLNLGQSA-N -1 0 351.359 -0.040 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)Nc2ccnc(OCCO)c2)C[C@@H]1C(=O)[O-] ZINC000659066019 485205093 /nfs/dbraw/zinc/20/50/93/485205093.db2.gz YDZLSYBWEZGRMS-JQWIXIFHSA-N -1 0 351.359 -0.040 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2ccnc(OCCO)c2)C[C@@H]1C(=O)[O-] ZINC000659066022 485205150 /nfs/dbraw/zinc/20/51/50/485205150.db2.gz YDZLSYBWEZGRMS-PWSUYJOCSA-N -1 0 351.359 -0.040 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2ccnc(OCCO)c2)C[C@H]1C(=O)[O-] ZINC000659066024 485205096 /nfs/dbraw/zinc/20/50/96/485205096.db2.gz YDZLSYBWEZGRMS-ZYHUDNBSSA-N -1 0 351.359 -0.040 20 0 FBADRM Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659066030 485205592 /nfs/dbraw/zinc/20/55/92/485205592.db2.gz HHWKATKVUHFSIC-PIGZYNQJSA-N -1 0 361.354 -0.408 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1cccc(-n3ccnn3)c1)C2 ZINC000659066081 485205216 /nfs/dbraw/zinc/20/52/16/485205216.db2.gz IYLBHLZRZGMQDP-PIGZYNQJSA-N -1 0 371.353 -0.235 20 0 FBADRM COCCn1cc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC000659066102 485205236 /nfs/dbraw/zinc/20/52/36/485205236.db2.gz JPQBFMZTFPHGIZ-MEBBXXQBSA-N -1 0 352.347 -0.972 20 0 FBADRM NC(=O)Cc1ccc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC000659066103 485205486 /nfs/dbraw/zinc/20/54/86/485205486.db2.gz JQQPNHPKNSWQHG-PIGZYNQJSA-N -1 0 361.354 -0.788 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1cccc(-n3cnnn3)c1)C2 ZINC000659066107 485205475 /nfs/dbraw/zinc/20/54/75/485205475.db2.gz JTMLYWMVJGOHDS-QLJPJBMISA-N -1 0 372.341 -0.840 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1cnn(-c3ncccn3)c1)C2 ZINC000659066123 485205505 /nfs/dbraw/zinc/20/55/05/485205505.db2.gz KTPFVMQZUJATML-QLJPJBMISA-N -1 0 372.341 -0.840 20 0 FBADRM NC(=O)c1ccc(F)c(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000659066185 485205405 /nfs/dbraw/zinc/20/54/05/485205405.db2.gz LGTWBHRSBCUWBJ-JDNHERCYSA-N -1 0 365.317 -0.577 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1ccc(-n3cnnn3)cc1)C2 ZINC000659066192 485205626 /nfs/dbraw/zinc/20/56/26/485205626.db2.gz LPWMQQPZSBLHLW-QLJPJBMISA-N -1 0 372.341 -0.840 20 0 FBADRM COCc1csc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000659066201 484017826 /nfs/dbraw/zinc/01/78/26/484017826.db2.gz MABKCZORKXMBJW-XLKFXECMSA-N -1 0 355.372 -0.212 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1ccc3c(c1)OCCO3)C2 ZINC000659066245 485205316 /nfs/dbraw/zinc/20/53/16/485205316.db2.gz OAXTXCSBUNRBGU-BMLIUANNSA-N -1 0 362.338 -0.044 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ccc1C(N)=O ZINC000659066246 485205111 /nfs/dbraw/zinc/20/51/11/485205111.db2.gz OBFKSZWENYHCQW-BMLIUANNSA-N -1 0 361.354 -0.408 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1cccnc1-n1cncn1)C2 ZINC000659066279 485205555 /nfs/dbraw/zinc/20/55/55/485205555.db2.gz PJLPQMKOLVSVQF-QLJPJBMISA-N -1 0 372.341 -0.840 20 0 FBADRM NC(=O)c1cc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ccc1F ZINC000659066285 485205064 /nfs/dbraw/zinc/20/50/64/485205064.db2.gz PPEOESAZLXPNNE-VPTHRUTESA-N -1 0 365.317 -0.577 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1cccnc1-n1cccn1)C2 ZINC000659066329 485205324 /nfs/dbraw/zinc/20/53/24/485205324.db2.gz RSYKPBCHZKXHAD-PIGZYNQJSA-N -1 0 371.353 -0.235 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c(OC)n1 ZINC000659066336 485205241 /nfs/dbraw/zinc/20/52/41/485205241.db2.gz SBDXKRVUIQGGMI-JDNHERCYSA-N -1 0 365.342 -0.403 20 0 FBADRM COCCCn1ccc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000659066342 485205331 /nfs/dbraw/zinc/20/53/31/485205331.db2.gz SKGQXMKBZHPKLY-BDJLRTHQSA-N -1 0 366.374 -0.582 20 0 FBADRM Cc1nn(C)c2ncc(NC(=O)C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)cc12 ZINC000659066352 485205271 /nfs/dbraw/zinc/20/52/71/485205271.db2.gz SZRXHYUPQPZRMW-BMLIUANNSA-N -1 0 373.369 -0.225 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1ccccc1-n1ccnn1)C2 ZINC000659066356 485205261 /nfs/dbraw/zinc/20/52/61/485205261.db2.gz TVGLHKAULYEMIT-PIGZYNQJSA-N -1 0 371.353 -0.235 20 0 FBADRM COCCn1ccc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000659066367 485205612 /nfs/dbraw/zinc/20/56/12/485205612.db2.gz UCWSMLAHMFXQGE-MEBBXXQBSA-N -1 0 352.347 -0.972 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1cnn(-c3ccccn3)c1)C2 ZINC000659066376 485205529 /nfs/dbraw/zinc/20/55/29/485205529.db2.gz UJHWPJMBXYHBAT-PIGZYNQJSA-N -1 0 371.353 -0.235 20 0 FBADRM CNC(=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000659066414 485206139 /nfs/dbraw/zinc/20/61/39/485206139.db2.gz WKCHTKDKTKDMAT-PIGZYNQJSA-N -1 0 361.354 -0.456 20 0 FBADRM NC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1F ZINC000659066419 485206016 /nfs/dbraw/zinc/20/60/16/485206016.db2.gz WOWFZGZERIDZEA-VPTHRUTESA-N -1 0 365.317 -0.577 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1ccc3c(c1)CC(=O)N3)C2 ZINC000659066431 485206239 /nfs/dbraw/zinc/20/62/39/485206239.db2.gz XAUHBDMEYUMNHY-BMLIUANNSA-N -1 0 359.338 -0.321 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1ccc(-n3cccn3)nc1)C2 ZINC000659066446 485206067 /nfs/dbraw/zinc/20/60/67/485206067.db2.gz XRVGYDFAYSWPAY-PIGZYNQJSA-N -1 0 371.353 -0.235 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1ccn(CC(F)F)n1)C2 ZINC000659066449 484017675 /nfs/dbraw/zinc/01/76/75/484017675.db2.gz XUJIDCKJKZYHCI-XLKFXECMSA-N -1 0 358.301 -0.354 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1cccc3c1OCCO3)C2 ZINC000659066523 485206527 /nfs/dbraw/zinc/20/65/27/485206527.db2.gz AXRHAVQYPNZXLW-BMLIUANNSA-N -1 0 362.338 -0.044 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1ccnn1-c1ccncc1)C2 ZINC000659066605 485206101 /nfs/dbraw/zinc/20/61/01/485206101.db2.gz GFSNYIXKBHFOII-PIGZYNQJSA-N -1 0 371.353 -0.235 20 0 FBADRM COC[C@@H](C)n1ccc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000659066629 485206351 /nfs/dbraw/zinc/20/63/51/485206351.db2.gz HGRGYGLCNUOQQQ-GLKRBJQHSA-N -1 0 366.374 -0.411 20 0 FBADRM COC[C@H](C)n1ccc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000659066630 485206532 /nfs/dbraw/zinc/20/65/32/485206532.db2.gz HGRGYGLCNUOQQQ-LYOVBCGYSA-N -1 0 366.374 -0.411 20 0 FBADRM CN1C(=O)Cc2cc(NC(=O)C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)ccc21 ZINC000659066653 485206021 /nfs/dbraw/zinc/20/60/21/485206021.db2.gz IKNXIFWNAVQOCM-ADLMAVQZSA-N -1 0 373.365 -0.296 20 0 FBADRM COCCc1cc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n(C)n1 ZINC000659066710 485206094 /nfs/dbraw/zinc/20/60/94/485206094.db2.gz LGEKKFYKJDYZIQ-QLJPJBMISA-N -1 0 366.374 -0.893 20 0 FBADRM COCc1cnc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)s1 ZINC000659066744 485206097 /nfs/dbraw/zinc/20/60/97/485206097.db2.gz NBKIXMISMAUMKP-XLKFXECMSA-N -1 0 355.372 -0.212 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc(C(N)=O)c1 ZINC000659066819 485206111 /nfs/dbraw/zinc/20/61/11/485206111.db2.gz PDQYAJSBWZIOKI-PIGZYNQJSA-N -1 0 361.354 -0.408 20 0 FBADRM CCCc1cc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n(C)n1 ZINC000659066909 485206440 /nfs/dbraw/zinc/20/64/40/485206440.db2.gz QGWUFUPJOMJTAY-QLJPJBMISA-N -1 0 350.375 -0.129 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1c[nH]nc1-c1ccccn1)C2 ZINC000659066925 485206586 /nfs/dbraw/zinc/20/65/86/485206586.db2.gz QTRRZVYHNUMWNL-BMLIUANNSA-N -1 0 371.353 -0.030 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1cnc3c(c1)COCC3)C2 ZINC000659066928 485206338 /nfs/dbraw/zinc/20/63/38/485206338.db2.gz QVLZUCWOUWHMAS-PIGZYNQJSA-N -1 0 361.354 -0.348 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1cccc(N3CCC3=O)c1)C2 ZINC000659066943 485206318 /nfs/dbraw/zinc/20/63/18/485206318.db2.gz RSECBTJGPWNRBP-ADLMAVQZSA-N -1 0 373.365 -0.079 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1ccc3c(c1)C(=O)NCC3)C2 ZINC000659066949 485205961 /nfs/dbraw/zinc/20/59/61/485205961.db2.gz RXKIGMHAKVSMDW-ADLMAVQZSA-N -1 0 373.365 -0.529 20 0 FBADRM CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)nn1 ZINC000659066958 485206234 /nfs/dbraw/zinc/20/62/34/485206234.db2.gz SHEZFIBVBRQDJJ-QLJPJBMISA-N -1 0 364.358 -0.238 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1ccc3c(c1)CCNC3=O)C2 ZINC000659066979 485206330 /nfs/dbraw/zinc/20/63/30/485206330.db2.gz UHBTVQIIPKBGII-ADLMAVQZSA-N -1 0 373.365 -0.529 20 0 FBADRM Cc1nc2ccc(NC(=O)C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)cn2n1 ZINC000659066998 485206421 /nfs/dbraw/zinc/20/64/21/485206421.db2.gz USTOERHXLHXBGA-QLJPJBMISA-N -1 0 359.342 -0.464 20 0 FBADRM Cn1ncc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1C(F)F ZINC000659067108 485206122 /nfs/dbraw/zinc/20/61/22/485206122.db2.gz VOUQNULQNWUUHW-NXSYQRQQSA-N -1 0 358.301 -0.144 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1ccc(N3CCC3=O)cc1)C2 ZINC000659067112 485206156 /nfs/dbraw/zinc/20/61/56/485206156.db2.gz VTICTMFYKRMPQX-ADLMAVQZSA-N -1 0 373.365 -0.079 20 0 FBADRM CC(C)(C)n1cnc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000659067119 484020244 /nfs/dbraw/zinc/02/02/44/484020244.db2.gz WCEMXWCDKSMGBD-RFAUZJTJSA-N -1 0 351.363 -0.469 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1cnc(CC3CC3)nc1)C2 ZINC000659067122 485206387 /nfs/dbraw/zinc/20/63/87/485206387.db2.gz WEEXMNKRXIELHC-PIGZYNQJSA-N -1 0 360.370 -0.073 20 0 FBADRM NC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c(F)c1 ZINC000659067129 485205996 /nfs/dbraw/zinc/20/59/96/485205996.db2.gz WRYDYCQIZNEXCG-JDNHERCYSA-N -1 0 365.317 -0.577 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1cccc3c1CNC3=O)C2 ZINC000659067153 485205971 /nfs/dbraw/zinc/20/59/71/485205971.db2.gz XPLHJTJAOVHRPC-VVVCHXIZSA-N -1 0 359.338 -0.572 20 0 FBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000659067589 485206345 /nfs/dbraw/zinc/20/63/45/485206345.db2.gz MILQHULZCZXWSA-JTQLQIEISA-N -1 0 363.374 -0.067 20 0 FBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC000659067591 485205951 /nfs/dbraw/zinc/20/59/51/485205951.db2.gz MILQHULZCZXWSA-SNVBAGLBSA-N -1 0 363.374 -0.067 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CCN1S(C)(=O)=O ZINC000659067655 485206127 /nfs/dbraw/zinc/20/61/27/485206127.db2.gz NPRKAUMESVCWIE-SECBINFHSA-N -1 0 370.387 -0.789 20 0 FBADRM CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)cn1 ZINC000659067719 485206392 /nfs/dbraw/zinc/20/63/92/485206392.db2.gz GKLXAHMKTAZGPR-NSHDSACASA-N -1 0 367.406 -0.179 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CCN1S(C)(=O)=O ZINC000659067810 485206033 /nfs/dbraw/zinc/20/60/33/485206033.db2.gz OZAVOXSTWPPTCY-SNVBAGLBSA-N -1 0 369.399 -0.184 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CCN1S(C)(=O)=O ZINC000659067846 485206018 /nfs/dbraw/zinc/20/60/18/485206018.db2.gz PYUKVPNGWVIDFF-SNVBAGLBSA-N -1 0 369.399 -0.184 20 0 FBADRM CN1CCN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CCC1=O ZINC000659068451 485206008 /nfs/dbraw/zinc/20/60/08/485206008.db2.gz WFKAHDKCENWBHX-UHFFFAOYSA-N -1 0 351.363 -0.668 20 0 FBADRM CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC000659068610 485206594 /nfs/dbraw/zinc/20/65/94/485206594.db2.gz DJVXEAVVYUQIDS-UHFFFAOYSA-N -1 0 369.399 -0.096 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)CC(=O)[O-] ZINC000659068933 485206341 /nfs/dbraw/zinc/20/63/41/485206341.db2.gz ZJQXNMUNQAJNLT-UWVGGRQHSA-N -1 0 351.425 -0.967 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)CC(=O)[O-] ZINC000659068934 484024786 /nfs/dbraw/zinc/02/47/86/484024786.db2.gz ZJQXNMUNQAJNLT-ZJUUUORDSA-N -1 0 351.425 -0.967 20 0 FBADRM COc1ncc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)cc1C(N)=O ZINC000659069220 485206520 /nfs/dbraw/zinc/20/65/20/485206520.db2.gz NOAIJDXLWVJZFS-UHFFFAOYSA-N -1 0 350.331 -0.501 20 0 FBADRM COc1ncnc(N(C)C)c1NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659069244 485206620 /nfs/dbraw/zinc/20/66/20/485206620.db2.gz OKYXVQKQVUCKML-UHFFFAOYSA-N -1 0 351.363 -0.139 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1)CC(=O)[O-] ZINC000659069313 485206614 /nfs/dbraw/zinc/20/66/14/485206614.db2.gz YXUZLBJAWFMKDO-JTQLQIEISA-N -1 0 353.379 -0.440 20 0 FBADRM NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)c1 ZINC000659069453 485206463 /nfs/dbraw/zinc/20/64/63/485206463.db2.gz PSXGXSDWFUYCOL-UHFFFAOYSA-N -1 0 373.362 -0.217 20 0 FBADRM COc1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)cc1-n1cnnn1 ZINC000659069464 485206041 /nfs/dbraw/zinc/20/60/41/485206041.db2.gz QAYDDPGSRCKIBB-UHFFFAOYSA-N -1 0 374.357 -0.020 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC000659069529 485205947 /nfs/dbraw/zinc/20/59/47/485205947.db2.gz TUESIKIZYYXRDJ-UHFFFAOYSA-N -1 0 355.372 -0.356 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)NCC3(C(=O)[O-])CCC3)cc21 ZINC000659069568 485205965 /nfs/dbraw/zinc/20/59/65/485205965.db2.gz URDMLVUVYXZJLI-UHFFFAOYSA-N -1 0 359.342 -0.029 20 0 FBADRM Cn1cnn(-c2ccc(NC(=O)C(=O)NCC3(C(=O)[O-])CCC3)cc2)c1=O ZINC000659069756 485206407 /nfs/dbraw/zinc/20/64/07/485206407.db2.gz YYVNXEFBQIYTJX-UHFFFAOYSA-N -1 0 373.369 -0.119 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)c1 ZINC000659069772 485206241 /nfs/dbraw/zinc/20/62/41/485206241.db2.gz ZPQLYWGZUPGWTG-UHFFFAOYSA-N -1 0 355.372 -0.356 20 0 FBADRM Cc1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)cc1S(N)(=O)=O ZINC000659069781 485206360 /nfs/dbraw/zinc/20/63/60/485206360.db2.gz ZVXLORIORYOOQQ-UHFFFAOYSA-N -1 0 369.399 -0.048 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)cn1 ZINC000659070079 484027160 /nfs/dbraw/zinc/02/71/60/484027160.db2.gz FFSVOBRJRNJEHE-UHFFFAOYSA-N -1 0 355.372 -0.205 20 0 FBADRM O=C([O-])C1(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC2(CCC2)C1 ZINC000659119692 484402546 /nfs/dbraw/zinc/40/25/46/484402546.db2.gz IOKUHQINEKEVQJ-UHFFFAOYSA-N -1 0 363.414 -0.029 20 0 FBADRM C[C@@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000659121305 485210933 /nfs/dbraw/zinc/21/09/33/485210933.db2.gz DPOBAYJAIYWCRB-LLVKDONJSA-N -1 0 372.443 -0.217 20 0 FBADRM C[C@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000659121307 485211388 /nfs/dbraw/zinc/21/13/88/485211388.db2.gz DPOBAYJAIYWCRB-NSHDSACASA-N -1 0 372.443 -0.217 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000659122306 485211436 /nfs/dbraw/zinc/21/14/36/485211436.db2.gz SBVYAONQYREGQX-LLVKDONJSA-N -1 0 351.403 -0.125 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000659122308 484404720 /nfs/dbraw/zinc/40/47/20/484404720.db2.gz SBVYAONQYREGQX-NSHDSACASA-N -1 0 351.403 -0.125 20 0 FBADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000659122551 484404162 /nfs/dbraw/zinc/40/41/62/484404162.db2.gz WVEXDAWEZIIXDM-MRVPVSSYSA-N -1 0 358.372 -0.338 20 0 FBADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000659122553 484404373 /nfs/dbraw/zinc/40/43/73/484404373.db2.gz WVEXDAWEZIIXDM-QMMMGPOBSA-N -1 0 358.372 -0.338 20 0 FBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)CC1(n2cnnn2)CCOCC1 ZINC000659128999 485211283 /nfs/dbraw/zinc/21/12/83/485211283.db2.gz ZGIKELHTNPPLFM-LLVKDONJSA-N -1 0 355.420 -0.012 20 0 FBADRM O=C([O-])C[C@H]1CSCCN1C(=O)CC1(n2cnnn2)CCOCC1 ZINC000659129000 485211309 /nfs/dbraw/zinc/21/13/09/485211309.db2.gz ZGIKELHTNPPLFM-NSHDSACASA-N -1 0 355.420 -0.012 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C2(n3cnnn3)CCOCC2)cc1 ZINC000659129178 485211274 /nfs/dbraw/zinc/21/12/74/485211274.db2.gz GZPSRUMSOZPTQH-UHFFFAOYSA-N -1 0 374.357 -0.368 20 0 FBADRM O=C([O-])COc1cccc(CNC(=O)C2(n3cnnn3)CCOCC2)c1 ZINC000659134843 485211121 /nfs/dbraw/zinc/21/11/21/485211121.db2.gz UZHFWCAEQQHLPH-UHFFFAOYSA-N -1 0 361.358 -0.041 20 0 FBADRM CS(=O)(=O)c1cc(NC(=O)C2(n3cnnn3)CC2)cc(C(=O)[O-])c1 ZINC000659137544 483435001 /nfs/dbraw/zinc/43/50/01/483435001.db2.gz KSUUGAGAPGNMRP-UHFFFAOYSA-N -1 0 351.344 -0.097 20 0 FBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1nnn(C(C)(C)C)n1 ZINC000659143268 485211441 /nfs/dbraw/zinc/21/14/41/485211441.db2.gz JKPQKHNHWPNQCD-JTQLQIEISA-N -1 0 352.395 -0.177 20 0 FBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1nnn(C(C)(C)C)n1 ZINC000659143270 485211399 /nfs/dbraw/zinc/21/13/99/485211399.db2.gz JKPQKHNHWPNQCD-SNVBAGLBSA-N -1 0 352.395 -0.177 20 0 FBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000659144222 483458051 /nfs/dbraw/zinc/45/80/51/483458051.db2.gz UBYRTJBETIQJGV-LLVKDONJSA-N -1 0 366.422 -0.248 20 0 FBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000659144223 483457801 /nfs/dbraw/zinc/45/78/01/483457801.db2.gz UBYRTJBETIQJGV-NSHDSACASA-N -1 0 366.422 -0.248 20 0 FBADRM CC(C)C[C@H](NC(=O)CNC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)[O-] ZINC000659145454 485210997 /nfs/dbraw/zinc/21/09/97/485210997.db2.gz LQZYRBIBAOAQQP-JTQLQIEISA-N -1 0 354.411 -0.298 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN(C(=O)C2(n3cnnn3)CCOCC2)C1 ZINC000659150699 485211433 /nfs/dbraw/zinc/21/14/33/485211433.db2.gz CWBWPBDXNHQTFE-AWEZNQCLSA-N -1 0 353.379 -0.481 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN(C(=O)C2(n3cnnn3)CCOCC2)C1 ZINC000659150701 483492615 /nfs/dbraw/zinc/49/26/15/483492615.db2.gz CWBWPBDXNHQTFE-CQSZACIVSA-N -1 0 353.379 -0.481 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN(C(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC000659154297 485211005 /nfs/dbraw/zinc/21/10/05/485211005.db2.gz OUVIHRAVUWOUJW-HNNXBMFYSA-N -1 0 367.406 -0.091 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN(C(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC000659154298 485211394 /nfs/dbraw/zinc/21/13/94/485211394.db2.gz OUVIHRAVUWOUJW-OAHLLOKOSA-N -1 0 367.406 -0.091 20 0 FBADRM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC000659160934 483550706 /nfs/dbraw/zinc/55/07/06/483550706.db2.gz MPAOIYQCGMPEAS-NEPJUHHUSA-N -1 0 353.379 -0.341 20 0 FBADRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC000659160937 483551212 /nfs/dbraw/zinc/55/12/12/483551212.db2.gz MPAOIYQCGMPEAS-NWDGAFQWSA-N -1 0 353.379 -0.341 20 0 FBADRM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC000659160939 483550837 /nfs/dbraw/zinc/55/08/37/483550837.db2.gz MPAOIYQCGMPEAS-RYUDHWBXSA-N -1 0 353.379 -0.341 20 0 FBADRM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC000659160941 483551501 /nfs/dbraw/zinc/55/15/01/483551501.db2.gz MPAOIYQCGMPEAS-VXGBXAGGSA-N -1 0 353.379 -0.341 20 0 FBADRM O=C([O-])c1csc(CCNC(=O)C2(n3cnnn3)CCOCC2)n1 ZINC000659161425 485211421 /nfs/dbraw/zinc/21/14/21/485211421.db2.gz SRQXRMJWYVAHTL-UHFFFAOYSA-N -1 0 352.376 -0.308 20 0 FBADRM COC[C@@H](CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1)OC ZINC000659167283 485210875 /nfs/dbraw/zinc/21/08/75/485210875.db2.gz MHAJZVSODVTFTI-GFCCVEGCSA-N -1 0 374.415 -0.169 20 0 FBADRM COC[C@H](CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1)OC ZINC000659167289 483600251 /nfs/dbraw/zinc/60/02/51/483600251.db2.gz MHAJZVSODVTFTI-LBPRGKRZSA-N -1 0 374.415 -0.169 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)CC1(n2cnnn2)CCOCC1 ZINC000659170047 485211164 /nfs/dbraw/zinc/21/11/64/485211164.db2.gz GZCOSLQECSBHJD-HNNXBMFYSA-N -1 0 353.379 -0.339 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)CC1(n2cnnn2)CCOCC1 ZINC000659170048 485211471 /nfs/dbraw/zinc/21/14/71/485211471.db2.gz GZCOSLQECSBHJD-OAHLLOKOSA-N -1 0 353.379 -0.339 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])cc1 ZINC000659170800 485210981 /nfs/dbraw/zinc/21/09/81/485210981.db2.gz AFCPMACWVQLGCJ-OLZOCXBDSA-N -1 0 372.399 -0.417 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])ccc1OC ZINC000659171225 485212469 /nfs/dbraw/zinc/21/24/69/485212469.db2.gz MHQUBBXVBAAJGD-SKDRFNHKSA-N -1 0 358.372 -0.425 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000659171467 483679774 /nfs/dbraw/zinc/67/97/74/483679774.db2.gz PHSHSCNTGXAQNC-QNSHHTMESA-N -1 0 361.376 -0.683 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000659171468 483680000 /nfs/dbraw/zinc/68/00/00/483680000.db2.gz PHSHSCNTGXAQNC-SFGNSQDASA-N -1 0 361.376 -0.683 20 0 FBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)CCNS(=O)(=O)c1ccc(F)cc1 ZINC000659171515 483679725 /nfs/dbraw/zinc/67/97/25/483679725.db2.gz RPSLOLRZKFKFNP-WCQYABFASA-N -1 0 360.363 -0.148 20 0 FBADRM CNS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])cc1 ZINC000659171727 483681190 /nfs/dbraw/zinc/68/11/90/483681190.db2.gz SDOLUBVKBKRTPO-OCCSQVGLSA-N -1 0 356.400 -0.114 20 0 FBADRM CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])cc1 ZINC000659171768 483681374 /nfs/dbraw/zinc/68/13/74/483681374.db2.gz HDUKWQDWNPOVCX-OCCSQVGLSA-N -1 0 356.400 -0.114 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])c1 ZINC000659172006 485212287 /nfs/dbraw/zinc/21/22/87/485212287.db2.gz ATLXEOGXGMNFRE-OLZOCXBDSA-N -1 0 372.399 -0.417 20 0 FBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O ZINC000659173697 485212361 /nfs/dbraw/zinc/21/23/61/485212361.db2.gz WFDXVFVQJBJZHT-MEDUHNTESA-N -1 0 371.349 -0.018 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC000659174455 485212398 /nfs/dbraw/zinc/21/23/98/485212398.db2.gz GKZMLMOHZLNLQN-AWEZNQCLSA-N -1 0 374.415 -0.107 20 0 FBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000659174458 483697791 /nfs/dbraw/zinc/69/77/91/483697791.db2.gz KVYUSMSQTYGAAM-JOYOIKCWSA-N -1 0 374.371 -0.728 20 0 FBADRM COc1ccc(C(=O)NCC(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])cc1OC ZINC000659175032 485212102 /nfs/dbraw/zinc/21/21/02/485212102.db2.gz UEZYHHLDTMCALF-YGRLFVJLSA-N -1 0 352.343 -0.208 20 0 FBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000659175338 485212458 /nfs/dbraw/zinc/21/24/58/485212458.db2.gz YBUDDMHQWVDOJY-WDEREUQCSA-N -1 0 360.326 -0.196 20 0 FBADRM COc1ccc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000659175339 485212487 /nfs/dbraw/zinc/21/24/87/485212487.db2.gz YENHWBPFXXKGGA-MFKMUULPSA-N -1 0 372.399 -0.083 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000659175340 485212150 /nfs/dbraw/zinc/21/21/50/485212150.db2.gz YEPZKEFQPHCWFT-GDPRMGEGSA-N -1 0 374.419 -0.938 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000659175341 485212316 /nfs/dbraw/zinc/21/23/16/485212316.db2.gz YEPZKEFQPHCWFT-IEBDPFPHSA-N -1 0 374.419 -0.938 20 0 FBADRM COc1cccc([C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C(=O)[O-])c1 ZINC000659175433 485212448 /nfs/dbraw/zinc/21/24/48/485212448.db2.gz NVHAAUAUDKOCPF-AWEZNQCLSA-N -1 0 361.358 -0.069 20 0 FBADRM COc1cccc([C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C(=O)[O-])c1 ZINC000659175434 485212366 /nfs/dbraw/zinc/21/23/66/485212366.db2.gz NVHAAUAUDKOCPF-CQSZACIVSA-N -1 0 361.358 -0.069 20 0 FBADRM COc1cccc([C@H](NC(=O)CCC(=O)NCCNC(C)=O)C(=O)[O-])c1 ZINC000659176169 485212232 /nfs/dbraw/zinc/21/22/32/485212232.db2.gz WSOJRJMLTJYXRV-INIZCTEOSA-N -1 0 365.386 -0.030 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC2CC1(C(=O)[O-])C2 ZINC000659177620 485211942 /nfs/dbraw/zinc/21/19/42/485211942.db2.gz BQARQIVMXHXDFZ-IEBVAXJPSA-N -1 0 370.431 -0.221 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC2CC1(C(=O)[O-])C2 ZINC000659177621 485212386 /nfs/dbraw/zinc/21/23/86/485212386.db2.gz BQARQIVMXHXDFZ-IWPPJYEWSA-N -1 0 370.431 -0.221 20 0 FBADRM O=C([O-])C12CC(C1)CN2C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000659177954 483732839 /nfs/dbraw/zinc/73/28/39/483732839.db2.gz HRNWIZJPMPFZTQ-UHFFFAOYSA-N -1 0 370.383 -0.010 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC000659188124 485212195 /nfs/dbraw/zinc/21/21/95/485212195.db2.gz HGSJQOSTIGOORO-UHFFFAOYSA-N -1 0 355.416 -0.122 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1 ZINC000659189067 485211798 /nfs/dbraw/zinc/21/17/98/485211798.db2.gz LGXINBUEXVBUDV-UHFFFAOYSA-N -1 0 359.448 -0.028 20 0 FBADRM CCn1cc(CNC(=O)CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)nn1 ZINC000659189109 485212464 /nfs/dbraw/zinc/21/24/64/485212464.db2.gz LVYXACRGBUWRPT-UHFFFAOYSA-N -1 0 367.387 -0.409 20 0 FBADRM CN(C[C@@H]1COCCO1)C(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000659189391 485211887 /nfs/dbraw/zinc/21/18/87/485211887.db2.gz FYWRLJQVFPEBFG-GFCCVEGCSA-N -1 0 372.399 -0.463 20 0 FBADRM CN(C[C@H]1COCCO1)C(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000659189396 485212203 /nfs/dbraw/zinc/21/22/03/485212203.db2.gz FYWRLJQVFPEBFG-LBPRGKRZSA-N -1 0 372.399 -0.463 20 0 FBADRM Cc1nc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)ccc1C(=O)[O-] ZINC000659191563 483820265 /nfs/dbraw/zinc/82/02/65/483820265.db2.gz XLBVJXJPMMUEBG-UHFFFAOYSA-N -1 0 356.404 -0.348 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000659191984 485212283 /nfs/dbraw/zinc/21/22/83/485212283.db2.gz YTTJRQMGUWOMBV-UHFFFAOYSA-N -1 0 355.416 -0.122 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000659192024 483823084 /nfs/dbraw/zinc/82/30/84/483823084.db2.gz ZACQEPCQOWRPGP-UHFFFAOYSA-N -1 0 355.416 -0.122 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659204207 485212072 /nfs/dbraw/zinc/21/20/72/485212072.db2.gz UUVCXLNOYKCBOB-UHFFFAOYSA-N -1 0 362.408 -0.403 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC000659221781 485212456 /nfs/dbraw/zinc/21/24/56/485212456.db2.gz IWGJOJALEKPOLR-UHFFFAOYSA-N -1 0 373.435 -0.189 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC000659223292 485212515 /nfs/dbraw/zinc/21/25/15/485212515.db2.gz RSDWGYIGUWDNEB-GFCCVEGCSA-N -1 0 371.419 -0.436 20 0 FBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC000659223293 485211956 /nfs/dbraw/zinc/21/19/56/485211956.db2.gz RSDWGYIGUWDNEB-LBPRGKRZSA-N -1 0 371.419 -0.436 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000659224262 483686647 /nfs/dbraw/zinc/68/66/47/483686647.db2.gz HSFSLWQRDQZJGL-NEPJUHHUSA-N -1 0 350.437 -0.100 20 0 FBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000659240935 483880715 /nfs/dbraw/zinc/88/07/15/483880715.db2.gz FAKYRJJUXUQUBA-MGCOHNPYSA-N -1 0 358.372 -0.107 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000659240979 483880696 /nfs/dbraw/zinc/88/06/96/483880696.db2.gz KMNVKBQSUPOYEF-XYPYZODXSA-N -1 0 371.415 -0.361 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-] ZINC000659244958 485213222 /nfs/dbraw/zinc/21/32/22/485213222.db2.gz KNJOSAINLGKBKO-UNJBNNCHSA-N -1 0 362.448 -0.054 20 0 FBADRM NS(=O)(=O)c1ccc(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC000659391811 485215643 /nfs/dbraw/zinc/21/56/43/485215643.db2.gz IAERGVOMMXYZJP-IAQYHMDHSA-N -1 0 369.399 -0.423 20 0 FBADRM CCN(CCCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC000659393761 485216437 /nfs/dbraw/zinc/21/64/37/485216437.db2.gz GJTSVBNZRQUAKT-BXUZGUMPSA-N -1 0 363.436 -0.599 20 0 FBADRM CS(=O)(=O)N1CCC(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000659394200 485215788 /nfs/dbraw/zinc/21/57/88/485215788.db2.gz MHURJYMXBPIYPE-QMTHXVAHSA-N -1 0 361.420 -0.847 20 0 FBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659394494 485216154 /nfs/dbraw/zinc/21/61/54/485216154.db2.gz XFIWVBFYKCEMPR-QMTHXVAHSA-N -1 0 363.436 -0.553 20 0 FBADRM NS(=O)(=O)c1cccc(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000659394720 485216134 /nfs/dbraw/zinc/21/61/34/485216134.db2.gz YLFQMJMBKWUGKD-IAQYHMDHSA-N -1 0 369.399 -0.423 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659394774 484308529 /nfs/dbraw/zinc/30/85/29/484308529.db2.gz WETPYEUNSSZMMY-BXUZGUMPSA-N -1 0 363.436 -0.599 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCCCN1CCCS1(=O)=O)C2 ZINC000659394938 485216516 /nfs/dbraw/zinc/21/65/16/485216516.db2.gz AHEVJSBMPXSFTM-BXUZGUMPSA-N -1 0 361.420 -0.845 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000659395592 485216029 /nfs/dbraw/zinc/21/60/29/485216029.db2.gz PTDNXLKVEUVWGZ-JTNHKYCSSA-N -1 0 361.420 -0.847 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000659395593 485216072 /nfs/dbraw/zinc/21/60/72/485216072.db2.gz PTDNXLKVEUVWGZ-UHIISALHSA-N -1 0 361.420 -0.847 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)N[C@H]1CCN(C3CCOCC3)C1=O)C2 ZINC000659396346 485216009 /nfs/dbraw/zinc/21/60/09/485216009.db2.gz CLAIQIOBNRHKIF-BTJLNZGRSA-N -1 0 367.402 -0.491 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)N[C@@H]1CCN(C3CCOCC3)C1=O)C2 ZINC000659396347 485216114 /nfs/dbraw/zinc/21/61/14/485216114.db2.gz CLAIQIOBNRHKIF-CJBNDPTMSA-N -1 0 367.402 -0.491 20 0 FBADRM O=C([O-])C1(CNC(=O)NCCS(=O)(=O)N2CCSCC2)CCC1 ZINC000659396877 485215632 /nfs/dbraw/zinc/21/56/32/485215632.db2.gz RXJVBXYSUUFDFW-UHFFFAOYSA-N -1 0 365.477 -0.081 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)C2 ZINC000659397840 485215929 /nfs/dbraw/zinc/21/59/29/485215929.db2.gz NLPKYKADFFTNPP-JRKPZEMJSA-N -1 0 365.308 -0.108 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)C2 ZINC000659397841 485216419 /nfs/dbraw/zinc/21/64/19/485216419.db2.gz NLPKYKADFFTNPP-VYUIOLGVSA-N -1 0 365.308 -0.108 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)C2=O)cn1 ZINC000659398099 485216182 /nfs/dbraw/zinc/21/61/82/485216182.db2.gz PJVLMQTXULQMHQ-NSODJVPESA-N -1 0 363.374 -0.732 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)C2=O)cn1 ZINC000659398100 485216349 /nfs/dbraw/zinc/21/63/49/485216349.db2.gz PJVLMQTXULQMHQ-RSAASHCRSA-N -1 0 363.374 -0.732 20 0 FBADRM COCCC(=O)N1CCC(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000659398205 485216287 /nfs/dbraw/zinc/21/62/87/485216287.db2.gz RIPNTYALCHLXRX-SJKOYZFVSA-N -1 0 369.418 -0.244 20 0 FBADRM CC[C@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000659398366 485216131 /nfs/dbraw/zinc/21/61/31/485216131.db2.gz UNDRCXVWWHIROJ-BFQNTYOBSA-N -1 0 355.391 -0.634 20 0 FBADRM CC[C@@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000659398369 485215849 /nfs/dbraw/zinc/21/58/49/485215849.db2.gz UNDRCXVWWHIROJ-XHBSWPGZSA-N -1 0 355.391 -0.634 20 0 FBADRM O=C([O-])C1(CNC(=O)NCCNS(=O)(=O)Cc2ccon2)CCC1 ZINC000659398838 485215936 /nfs/dbraw/zinc/21/59/36/485215936.db2.gz YBRMXUHXICPNFS-UHFFFAOYSA-N -1 0 360.392 -0.352 20 0 FBADRM COCc1nc2n(n1)C[C@H](NC(=O)N1C[C@@H]3COC[C@]3(C(=O)[O-])C1)CC2 ZINC000659398939 485215810 /nfs/dbraw/zinc/21/58/10/485215810.db2.gz YQRDPMFLJFCYFF-GLKRBJQHSA-N -1 0 365.390 -0.518 20 0 FBADRM COCc1nc2n(n1)C[C@@H](NC(=O)N1C[C@@H]3COC[C@]3(C(=O)[O-])C1)CC2 ZINC000659398940 485215707 /nfs/dbraw/zinc/21/57/07/485215707.db2.gz YQRDPMFLJFCYFF-OHUAYANFSA-N -1 0 365.390 -0.518 20 0 FBADRM NC(=O)COc1cccc(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000659399196 485216109 /nfs/dbraw/zinc/21/61/09/485216109.db2.gz JQCLFAHESNRHRM-SJKOYZFVSA-N -1 0 363.370 -0.207 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000659399336 485215949 /nfs/dbraw/zinc/21/59/49/485215949.db2.gz NTRUTSSMQJQTFQ-UHFFFAOYSA-N -1 0 354.407 -0.379 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659399495 485216319 /nfs/dbraw/zinc/21/63/19/485216319.db2.gz BNWBBGRXCIBZDS-JTNHKYCSSA-N -1 0 361.420 -0.847 20 0 FBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000659399526 485216463 /nfs/dbraw/zinc/21/64/63/485216463.db2.gz CHOBLZPNEPPQMK-JTNHKYCSSA-N -1 0 361.420 -0.990 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000659399527 485216393 /nfs/dbraw/zinc/21/63/93/485216393.db2.gz CHOBLZPNEPPQMK-MISXGVKJSA-N -1 0 361.420 -0.990 20 0 FBADRM O=C([O-])C1(CNC(=O)NCCNS(=O)(=O)c2cccnc2)CCC1 ZINC000659400052 485215676 /nfs/dbraw/zinc/21/56/76/485215676.db2.gz MMJQCPWGESHKLV-UHFFFAOYSA-N -1 0 356.404 -0.086 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCCC1CCS(=O)(=O)CC1)C2 ZINC000659400053 485215731 /nfs/dbraw/zinc/21/57/31/485215731.db2.gz MNCSRDCVGCKBLE-IUODEOHRSA-N -1 0 360.432 -0.056 20 0 FBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659401576 485217287 /nfs/dbraw/zinc/21/72/87/485217287.db2.gz MIMHUTPCXSRCKX-BRXULGCHSA-N -1 0 358.391 -0.451 20 0 FBADRM COCCO[C@H]1COCC[C@@H]1NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659401577 485217192 /nfs/dbraw/zinc/21/71/92/485217192.db2.gz MIMHUTPCXSRCKX-LMOYCYGVSA-N -1 0 358.391 -0.451 20 0 FBADRM COCCO[C@H]1COCC[C@H]1NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659401578 485217077 /nfs/dbraw/zinc/21/70/77/485217077.db2.gz MIMHUTPCXSRCKX-NFFDBFGFSA-N -1 0 358.391 -0.451 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659401579 485217272 /nfs/dbraw/zinc/21/72/72/485217272.db2.gz MIMHUTPCXSRCKX-OQMKEHIESA-N -1 0 358.391 -0.451 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NC1CCC3(CC1)NC(=O)NC3=O)C2 ZINC000659402717 485216730 /nfs/dbraw/zinc/21/67/30/485216730.db2.gz KBACRNSNBAZPFZ-XQGWUASRSA-N -1 0 366.374 -0.750 20 0 FBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)O1 ZINC000659403216 485216829 /nfs/dbraw/zinc/21/68/29/485216829.db2.gz HNXWEQXPBIEKAM-AZKPJATDSA-N -1 0 355.391 -0.635 20 0 FBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)O1 ZINC000659403217 485217242 /nfs/dbraw/zinc/21/72/42/485217242.db2.gz HNXWEQXPBIEKAM-DSZLRUIBSA-N -1 0 355.391 -0.635 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)O1 ZINC000659403218 485216868 /nfs/dbraw/zinc/21/68/68/485216868.db2.gz HNXWEQXPBIEKAM-KZTGVZKYSA-N -1 0 355.391 -0.635 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)O1 ZINC000659403219 485217041 /nfs/dbraw/zinc/21/70/41/485217041.db2.gz HNXWEQXPBIEKAM-LSSIXWDNSA-N -1 0 355.391 -0.635 20 0 FBADRM CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659403375 485217342 /nfs/dbraw/zinc/21/73/42/485217342.db2.gz QVMGWXOZBGANCB-LLVKDONJSA-N -1 0 362.452 -0.189 20 0 FBADRM CS(=O)(=O)c1cccnc1CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659403524 485217158 /nfs/dbraw/zinc/21/71/58/485217158.db2.gz QIMHHDFBTIDDRY-MEBBXXQBSA-N -1 0 369.399 -0.272 20 0 FBADRM NS(=O)(=O)c1ccccc1CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659403932 485216923 /nfs/dbraw/zinc/21/69/23/485216923.db2.gz YPYCCIRZAJCVKC-IAQYHMDHSA-N -1 0 369.399 -0.423 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)NCCCCCC(=O)[O-])CC1 ZINC000659404920 485216873 /nfs/dbraw/zinc/21/68/73/485216873.db2.gz HNLTUASWWDVEGG-UHFFFAOYSA-N -1 0 350.441 -0.235 20 0 FBADRM COCCOC1(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCOCC1 ZINC000659405126 485217220 /nfs/dbraw/zinc/21/72/20/485217220.db2.gz UDFDVTADRWWRHV-CXAGYDPISA-N -1 0 372.418 -0.059 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)CC1 ZINC000659405731 485217306 /nfs/dbraw/zinc/21/73/06/485217306.db2.gz FZHZEOCXNDDAEB-UHFFFAOYSA-N -1 0 362.452 -0.237 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@@H]2CCC(=O)N2)C1=O ZINC000659407685 485217299 /nfs/dbraw/zinc/21/72/99/485217299.db2.gz KOAWBEFNUCIXSE-GUTXKFCHSA-N -1 0 374.397 -0.009 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@@H]2CCC(=O)N2)C1=O ZINC000659407686 485217033 /nfs/dbraw/zinc/21/70/33/485217033.db2.gz KOAWBEFNUCIXSE-GZBFAFLISA-N -1 0 374.397 -0.009 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@H]2CCC(=O)N2)C1=O ZINC000659407687 485217325 /nfs/dbraw/zinc/21/73/25/485217325.db2.gz KOAWBEFNUCIXSE-KCQAQPDRSA-N -1 0 374.397 -0.009 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@H]2CCC(=O)N2)C1=O ZINC000659407688 485217097 /nfs/dbraw/zinc/21/70/97/485217097.db2.gz KOAWBEFNUCIXSE-YDHLFZDLSA-N -1 0 374.397 -0.009 20 0 FBADRM C[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CCN1S(C)(=O)=O ZINC000659410727 485217340 /nfs/dbraw/zinc/21/73/40/485217340.db2.gz ZSCCRZABIITVJN-LLVKDONJSA-N -1 0 363.436 -0.457 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCc1cc(=O)n3ccccc3n1)C2 ZINC000659410817 485217269 /nfs/dbraw/zinc/21/72/69/485217269.db2.gz ILJSAIBEAMDOSS-PIGZYNQJSA-N -1 0 358.354 -0.063 20 0 FBADRM CC(C)C[C@H](CNC(=O)NC[C@@]1(O)CCS(=O)(=O)C1)CC(=O)[O-] ZINC000659416462 485217290 /nfs/dbraw/zinc/21/72/90/485217290.db2.gz VDAQEXOUPQZCPP-FZMZJTMJSA-N -1 0 350.437 -0.028 20 0 FBADRM CC(C)C[C@H](CNC(=O)NC[C@]1(O)CCS(=O)(=O)C1)CC(=O)[O-] ZINC000659416465 485217173 /nfs/dbraw/zinc/21/71/73/485217173.db2.gz VDAQEXOUPQZCPP-SMDDNHRTSA-N -1 0 350.437 -0.028 20 0 FBADRM O=C([O-])C1(CNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCC1 ZINC000659418351 485217180 /nfs/dbraw/zinc/21/71/80/485217180.db2.gz ASVKAMZSEBNRDR-UHFFFAOYSA-N -1 0 352.391 -0.626 20 0 FBADRM O=C([O-])C1(CNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CCC1 ZINC000659418356 485217146 /nfs/dbraw/zinc/21/71/46/485217146.db2.gz BFWJYGQHPXXFGV-UHFFFAOYSA-N -1 0 366.418 -0.283 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000659419428 485217237 /nfs/dbraw/zinc/21/72/37/485217237.db2.gz ZEVUSFWIYLJHBK-UHFFFAOYSA-N -1 0 354.407 -0.380 20 0 FBADRM CN(C)S(=O)(=O)N1CCCN(C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000659426481 485218097 /nfs/dbraw/zinc/21/80/97/485218097.db2.gz WBXOWBIOVLBABC-UHFFFAOYSA-N -1 0 362.452 -0.235 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCc1cn3ccccc3n1)C2 ZINC000659643429 485231065 /nfs/dbraw/zinc/23/10/65/485231065.db2.gz DAOQOVFFZRWABZ-KZULUSFZSA-N -1 0 372.381 -0.447 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCc1cn3ccsc3n1)C2 ZINC000659643435 485231136 /nfs/dbraw/zinc/23/11/36/485231136.db2.gz DJYJKWCMVXKLKW-RFAUZJTJSA-N -1 0 364.383 -0.428 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCOc1ccccc1F)C2 ZINC000659643488 485230479 /nfs/dbraw/zinc/23/04/79/485230479.db2.gz ATYQORPRDBTIFU-PIGZYNQJSA-N -1 0 366.345 -0.120 20 0 FBADRM Cc1cc(C)n(CCCNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000659643641 485231082 /nfs/dbraw/zinc/23/10/82/485231082.db2.gz DMVIDXJMYDHKAR-CXAGYDPISA-N -1 0 364.402 -0.434 20 0 FBADRM CN(CCNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1ccccc1 ZINC000659643721 485230273 /nfs/dbraw/zinc/23/02/73/485230273.db2.gz GJQYPUXKCCXCTM-FZKQIMNGSA-N -1 0 361.398 -0.201 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCNC(=O)c2cccs2)CCC1 ZINC000659643766 485230917 /nfs/dbraw/zinc/23/09/17/485230917.db2.gz HOUYQVKSCWOSQE-UHFFFAOYSA-N -1 0 353.400 -0.035 20 0 FBADRM COc1ccc(CCNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC000659643937 485230392 /nfs/dbraw/zinc/23/03/92/485230392.db2.gz JGCRKJAVNJEKEF-FZKQIMNGSA-N -1 0 362.382 -0.087 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCCOC[C@@H]1CCCO1)C2 ZINC000659643945 485230900 /nfs/dbraw/zinc/23/09/00/485230900.db2.gz ICFWGUOIXKJCRB-IIYDPXPESA-N -1 0 370.402 -0.752 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCCOC[C@H]1CCCO1)C2 ZINC000659643946 485230829 /nfs/dbraw/zinc/23/08/29/485230829.db2.gz ICFWGUOIXKJCRB-PBFPGSCMSA-N -1 0 370.402 -0.752 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1)N1CCOCC1 ZINC000659643982 485230631 /nfs/dbraw/zinc/23/06/31/485230631.db2.gz IWSAOQOALBJOJH-CYBMUJFWSA-N -1 0 355.435 -0.170 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1)N1CCOCC1 ZINC000659643983 485231120 /nfs/dbraw/zinc/23/11/20/485231120.db2.gz IWSAOQOALBJOJH-ZDUSSCGKSA-N -1 0 355.435 -0.170 20 0 FBADRM COc1ccccc1CCNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659644108 485231144 /nfs/dbraw/zinc/23/11/44/485231144.db2.gz JQTSUSOUKJAHGP-FZKQIMNGSA-N -1 0 362.382 -0.087 20 0 FBADRM CN(C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1ccco1 ZINC000659644111 485230767 /nfs/dbraw/zinc/23/07/67/485230767.db2.gz JVIYXWWMJWPDNA-BWACUDIHSA-N -1 0 365.386 -0.442 20 0 FBADRM CN(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1ccco1 ZINC000659644113 485230930 /nfs/dbraw/zinc/23/09/30/485230930.db2.gz JVIYXWWMJWPDNA-PSTGCABASA-N -1 0 365.386 -0.442 20 0 FBADRM Cc1cc(C)c(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c(=O)[nH]1 ZINC000659644324 485230442 /nfs/dbraw/zinc/23/04/42/485230442.db2.gz ODCBSUJEJIOUSB-PIGZYNQJSA-N -1 0 363.370 -0.420 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCc1cn3ccccc3n1)C2 ZINC000659644708 485230406 /nfs/dbraw/zinc/23/04/06/485230406.db2.gz QECVXAQGYPKVJK-PIGZYNQJSA-N -1 0 358.354 -0.490 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCOCC(F)(F)F)C2 ZINC000659644760 485230744 /nfs/dbraw/zinc/23/07/44/485230744.db2.gz RHKQBWIHQYKREM-PRHODGIISA-N -1 0 354.281 -0.759 20 0 FBADRM Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N1C[C@@H]3COC[C@]3(C(=O)[O-])C1)C2 ZINC000659645238 485230251 /nfs/dbraw/zinc/23/02/51/485230251.db2.gz WMMFWFOAYZIFRG-FHSNZYRGSA-N -1 0 374.397 -0.682 20 0 FBADRM Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N1C[C@@H]3COC[C@]3(C(=O)[O-])C1)C2 ZINC000659645239 485230661 /nfs/dbraw/zinc/23/06/61/485230661.db2.gz WMMFWFOAYZIFRG-SNUQEOBHSA-N -1 0 374.397 -0.682 20 0 FBADRM Cc1nc(CCNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cs1 ZINC000659645258 485230791 /nfs/dbraw/zinc/23/07/91/485230791.db2.gz XNAYHZPVXONAIU-MEBBXXQBSA-N -1 0 353.400 -0.330 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCc1ccc3c(c1)OCO3)C2 ZINC000659645377 485230557 /nfs/dbraw/zinc/23/05/57/485230557.db2.gz YIQCMMQVGHLBPL-PIGZYNQJSA-N -1 0 362.338 -0.409 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1nnc2ccccn21 ZINC000659645716 485230909 /nfs/dbraw/zinc/23/09/09/485230909.db2.gz YNLMEDZNUBHBRI-CZIZLABSSA-N -1 0 373.369 -0.534 20 0 FBADRM C[C@H](NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1nnc2ccccn21 ZINC000659645717 485230310 /nfs/dbraw/zinc/23/03/10/485230310.db2.gz YNLMEDZNUBHBRI-WVQJBOLRSA-N -1 0 373.369 -0.534 20 0 FBADRM COc1cccc(CCNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000659645857 485230428 /nfs/dbraw/zinc/23/04/28/485230428.db2.gz AWRAIALVRQJGMS-FZKQIMNGSA-N -1 0 362.382 -0.087 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCCOCC(F)(F)F)C2 ZINC000659645916 485230723 /nfs/dbraw/zinc/23/07/23/485230723.db2.gz CLKGDAHFARRKQW-NOZJJQNGSA-N -1 0 368.308 -0.369 20 0 FBADRM Cc1nccn1CCCNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659646233 485230777 /nfs/dbraw/zinc/23/07/77/485230777.db2.gz GGIOTXPXABYKNN-MLGOLLRUSA-N -1 0 350.375 -0.743 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCC(=O)N1CCCCC1)C2 ZINC000659646644 485230759 /nfs/dbraw/zinc/23/07/59/485230759.db2.gz LOCDIKPXOCKENM-SJKOYZFVSA-N -1 0 367.402 -0.935 20 0 FBADRM COc1ccc(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1O ZINC000659646794 485230943 /nfs/dbraw/zinc/23/09/43/485230943.db2.gz MFBGCLQUIHLDEU-PIGZYNQJSA-N -1 0 364.354 -0.423 20 0 FBADRM CN(C)c1ncccc1CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659646866 485230531 /nfs/dbraw/zinc/23/05/31/485230531.db2.gz NQZZEYJUGZHQMR-SJKOYZFVSA-N -1 0 362.386 -0.677 20 0 FBADRM COc1cc(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ccc1O ZINC000659646885 485230349 /nfs/dbraw/zinc/23/03/49/485230349.db2.gz OGHPXOOMWCVXAL-PIGZYNQJSA-N -1 0 364.354 -0.423 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCn1cnc3ccccc31)C2 ZINC000659647202 485230521 /nfs/dbraw/zinc/23/05/21/485230521.db2.gz SLNCKVJKAYERLD-KZULUSFZSA-N -1 0 372.381 -0.288 20 0 FBADRM CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC000659647352 485230328 /nfs/dbraw/zinc/23/03/28/485230328.db2.gz UEYHIATWKIMGPA-SJKOYZFVSA-N -1 0 362.386 -0.677 20 0 FBADRM CN(C)c1cccc(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000659647457 485231151 /nfs/dbraw/zinc/23/11/51/485231151.db2.gz WKTOVNQYSSGYPF-FZKQIMNGSA-N -1 0 361.398 -0.072 20 0 FBADRM CCOc1ncccc1CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659647665 485230975 /nfs/dbraw/zinc/23/09/75/485230975.db2.gz ZGWALWDMDGRJMV-SJKOYZFVSA-N -1 0 363.370 -0.344 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCCNc1ccccn1)C2 ZINC000659647935 485230837 /nfs/dbraw/zinc/23/08/37/485230837.db2.gz AQYXDYFAXZKGIZ-SJKOYZFVSA-N -1 0 362.386 -0.441 20 0 FBADRM Cc1nn(C)c(C)c1CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659647936 485230655 /nfs/dbraw/zinc/23/06/55/485230655.db2.gz ATDMBGLKVCZDJG-BDJLRTHQSA-N -1 0 350.375 -0.787 20 0 FBADRM Cc1csc(CCNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000659648231 485230694 /nfs/dbraw/zinc/23/06/94/485230694.db2.gz FCODCXQIDRGYIR-MEBBXXQBSA-N -1 0 353.400 -0.330 20 0 FBADRM CCN(CC)C(=O)CCCNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659648294 485230415 /nfs/dbraw/zinc/23/04/15/485230415.db2.gz HMGSXEBSLSANDN-SJKOYZFVSA-N -1 0 369.418 -0.689 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCOc1ccc(F)cc1)C2 ZINC000659648298 485231021 /nfs/dbraw/zinc/23/10/21/485231021.db2.gz HPDLQZDPHNFTQY-PIGZYNQJSA-N -1 0 366.345 -0.120 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1COc3ccccc3C1)C2 ZINC000659648299 485230543 /nfs/dbraw/zinc/23/05/43/485230543.db2.gz HPIQYLDTWTVCRE-FHSNZYRGSA-N -1 0 360.366 -0.334 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@H]1COc3ccccc3C1)C2 ZINC000659648300 485230366 /nfs/dbraw/zinc/23/03/66/485230366.db2.gz HPIQYLDTWTVCRE-SNUQEOBHSA-N -1 0 360.366 -0.334 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCOc1cccc(F)c1)C2 ZINC000659648651 485230509 /nfs/dbraw/zinc/23/05/09/485230509.db2.gz LWUOYQYNSPDEML-PIGZYNQJSA-N -1 0 366.345 -0.120 20 0 FBADRM Cc1nn(C)c(C)c1CCNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659648700 485230419 /nfs/dbraw/zinc/23/04/19/485230419.db2.gz MZBXNPPPGXULDJ-SJKOYZFVSA-N -1 0 364.402 -0.745 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCc1ccc3c(c1)CCO3)C2 ZINC000659648713 485230486 /nfs/dbraw/zinc/23/04/86/485230486.db2.gz NJLFLPUFURHAPX-FZKQIMNGSA-N -1 0 360.366 -0.203 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659648736 485230492 /nfs/dbraw/zinc/23/04/92/485230492.db2.gz OGIDQOSCUCKYPE-UHFFFAOYSA-N -1 0 363.436 -0.855 20 0 FBADRM Cc1ccc2nc(CNC(=O)C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)cn2c1 ZINC000659648758 485230431 /nfs/dbraw/zinc/23/04/31/485230431.db2.gz AEXKOAQXAHNVDW-KZULUSFZSA-N -1 0 372.381 -0.181 20 0 FBADRM Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659648819 485231103 /nfs/dbraw/zinc/23/11/03/485231103.db2.gz CNFSKHVMTLMSAD-YRXQGLPXSA-N -1 0 350.375 -0.535 20 0 FBADRM Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659648822 485230610 /nfs/dbraw/zinc/23/06/10/485230610.db2.gz CNFSKHVMTLMSAD-ZYSBLVPFSA-N -1 0 350.375 -0.535 20 0 FBADRM Cc1nccn1C[C@H](C)CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659649005 485230339 /nfs/dbraw/zinc/23/03/39/485230339.db2.gz QLXPMPICNULVNF-CJBNDPTMSA-N -1 0 364.402 -0.497 20 0 FBADRM Cc1nccn1C[C@@H](C)CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659649006 485231986 /nfs/dbraw/zinc/23/19/86/485231986.db2.gz QLXPMPICNULVNF-XTQGRXLLSA-N -1 0 364.402 -0.497 20 0 FBADRM C[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659649061 485231571 /nfs/dbraw/zinc/23/15/71/485231571.db2.gz DMNGCDCENFBXQW-AEDCBLDQSA-N -1 0 362.382 -0.001 20 0 FBADRM C[C@@H](Cc1ccc(O)cc1)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659649062 485231892 /nfs/dbraw/zinc/23/18/92/485231892.db2.gz DMNGCDCENFBXQW-WHWRDJHUSA-N -1 0 362.382 -0.001 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCN1Cc3ccccc3C1)C2 ZINC000659649104 485231822 /nfs/dbraw/zinc/23/18/22/485231822.db2.gz FKYHQKJPSKDDBS-DNVCBOLYSA-N -1 0 373.409 -0.322 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCc1cccc3c1OCO3)C2 ZINC000659649162 485231876 /nfs/dbraw/zinc/23/18/76/485231876.db2.gz GIELHWNUNBCRKH-PIGZYNQJSA-N -1 0 362.338 -0.409 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)CCC1 ZINC000659649167 485231517 /nfs/dbraw/zinc/23/15/17/485231517.db2.gz GIQFBPUYCXZBFY-UHFFFAOYSA-N -1 0 373.365 -0.230 20 0 FBADRM C[C@@H](COCC(F)(F)F)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659649176 485231480 /nfs/dbraw/zinc/23/14/80/485231480.db2.gz GLXVODWNLTWBDW-IGJMFERPSA-N -1 0 368.308 -0.370 20 0 FBADRM C[C@H](COCC(F)(F)F)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659649180 485231493 /nfs/dbraw/zinc/23/14/93/485231493.db2.gz GLXVODWNLTWBDW-JRKPZEMJSA-N -1 0 368.308 -0.370 20 0 FBADRM Cc1ccn2cc(CNC(=O)C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)nc2c1 ZINC000659649192 485231511 /nfs/dbraw/zinc/23/15/11/485231511.db2.gz GOPCDDQJNXVTGB-KZULUSFZSA-N -1 0 372.381 -0.181 20 0 FBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659649247 485231866 /nfs/dbraw/zinc/23/18/66/485231866.db2.gz RZVIPLHDSKQQGO-UHFFFAOYSA-N -1 0 363.436 -0.808 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)Cn1cccn1 ZINC000659649272 485231621 /nfs/dbraw/zinc/23/16/21/485231621.db2.gz UGTXAJTWVCFHEO-HWWQOWPSSA-N -1 0 350.375 -0.805 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)Cn1cccn1 ZINC000659649274 485232281 /nfs/dbraw/zinc/23/22/81/485232281.db2.gz UGTXAJTWVCFHEO-XHBSWPGZSA-N -1 0 350.375 -0.805 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCS(=O)(=O)c2ccccc2)CCC1 ZINC000659649283 485231533 /nfs/dbraw/zinc/23/15/33/485231533.db2.gz ULIOTPRZFBHAII-UHFFFAOYSA-N -1 0 368.411 -0.052 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CCC1 ZINC000659649290 485232243 /nfs/dbraw/zinc/23/22/43/485232243.db2.gz UMRADFCNPVBJMS-GFCCVEGCSA-N -1 0 361.402 -0.067 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CCC1 ZINC000659649292 485231536 /nfs/dbraw/zinc/23/15/36/485231536.db2.gz UMRADFCNPVBJMS-LBPRGKRZSA-N -1 0 361.402 -0.067 20 0 FBADRM Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659649648 485231665 /nfs/dbraw/zinc/23/16/65/485231665.db2.gz ZDNXOZPHBKAOBR-ILMHXZGMSA-N -1 0 362.386 -0.527 20 0 FBADRM Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659649651 485231520 /nfs/dbraw/zinc/23/15/20/485231520.db2.gz ZDNXOZPHBKAOBR-YOIRWDDOSA-N -1 0 362.386 -0.527 20 0 FBADRM CCN(CCCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1)S(C)(=O)=O ZINC000659649656 485232086 /nfs/dbraw/zinc/23/20/86/485232086.db2.gz KRICPVRHYIAIMT-UHFFFAOYSA-N -1 0 363.436 -0.855 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCCCn1ccnc1)C2 ZINC000659650067 485231777 /nfs/dbraw/zinc/23/17/77/485231777.db2.gz UXHUZQTWYNCFTI-MLGOLLRUSA-N -1 0 350.375 -0.661 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCc1nccn1C(F)F)C2 ZINC000659650129 485232224 /nfs/dbraw/zinc/23/22/24/485232224.db2.gz BGHUSWNEEOTALT-XLKFXECMSA-N -1 0 358.301 -0.546 20 0 FBADRM NC(=O)COc1cccc(CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)c1 ZINC000659650304 485232161 /nfs/dbraw/zinc/23/21/61/485232161.db2.gz ZICOSCRQKGPUKY-UHFFFAOYSA-N -1 0 363.370 -0.462 20 0 FBADRM CCn1nc(C)c(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1C ZINC000659650322 485231730 /nfs/dbraw/zinc/23/17/30/485231730.db2.gz DNBJXOBIOVJVRC-SJKOYZFVSA-N -1 0 364.402 -0.304 20 0 FBADRM CCc1nc(CCNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cs1 ZINC000659650398 485231490 /nfs/dbraw/zinc/23/14/90/485231490.db2.gz GTDXYCOTIATTEQ-QLJPJBMISA-N -1 0 367.427 -0.076 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCOCc1ccccc1)C2 ZINC000659650497 485232265 /nfs/dbraw/zinc/23/22/65/485232265.db2.gz JHXVUMFNTHWKJT-RDTXWAMCSA-N -1 0 362.382 -0.121 20 0 FBADRM Cn1cc(CCCNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC000659650500 485231545 /nfs/dbraw/zinc/23/15/45/485231545.db2.gz JMOGPUCKEPSZAV-MLGOLLRUSA-N -1 0 350.375 -0.972 20 0 FBADRM O=C([O-])CCC1CCN(C(=O)C(=O)NCCCN2C(=O)CNC2=O)CC1 ZINC000659650526 485231585 /nfs/dbraw/zinc/23/15/85/485231585.db2.gz AAJFPDZNPGUIAL-UHFFFAOYSA-N -1 0 368.390 -0.852 20 0 FBADRM Cc1noc(C)c1CCNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659650569 485231813 /nfs/dbraw/zinc/23/18/13/485231813.db2.gz BEZKUFDTBDTIEM-BDJLRTHQSA-N -1 0 351.359 -0.490 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCc1ccc3c(c1)COC3)C2 ZINC000659650672 485231638 /nfs/dbraw/zinc/23/16/38/485231638.db2.gz LWGYFSAYPAWYOT-RDTXWAMCSA-N -1 0 360.366 -0.107 20 0 FBADRM CN(CCNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)CC(F)(F)F ZINC000659650675 485232273 /nfs/dbraw/zinc/23/22/73/485232273.db2.gz LZLUDSQRWWCAGO-NOZJJQNGSA-N -1 0 367.324 -0.844 20 0 FBADRM COCCOCCCCNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659650692 485232015 /nfs/dbraw/zinc/23/20/15/485232015.db2.gz MJSNDFLRDMAOAQ-MLGOLLRUSA-N -1 0 358.391 -0.895 20 0 FBADRM Cn1nc(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c2ccccc21 ZINC000659650735 485231978 /nfs/dbraw/zinc/23/19/78/485231978.db2.gz DTWNMYPHBLRQET-ADLMAVQZSA-N -1 0 372.381 -0.251 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCc1ccc3c(c1)CCO3)C2 ZINC000659650744 485231765 /nfs/dbraw/zinc/23/17/65/485231765.db2.gz DXGZACRYASABEU-AUUYWEPGSA-N -1 0 374.393 -0.160 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCc1noc(C3CC3)n1)C2 ZINC000659650749 485232138 /nfs/dbraw/zinc/23/21/38/485232138.db2.gz FCJIPPWYNXTNAC-RFAUZJTJSA-N -1 0 350.331 -0.877 20 0 FBADRM CC(C)n1ccc(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000659650777 485232183 /nfs/dbraw/zinc/23/21/83/485232183.db2.gz FWWCQFDDYMMJNC-BDJLRTHQSA-N -1 0 350.375 -0.360 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@H](C)CS(C)(=O)=O)CC(=O)[O-] ZINC000659650788 485231852 /nfs/dbraw/zinc/23/18/52/485231852.db2.gz GCGOGAQHGHIGOX-MNOVXSKESA-N -1 0 350.437 -0.211 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@@H](C)CS(C)(=O)=O)CC(=O)[O-] ZINC000659650789 485231770 /nfs/dbraw/zinc/23/17/70/485231770.db2.gz GCGOGAQHGHIGOX-QWRGUYRKSA-N -1 0 350.437 -0.211 20 0 FBADRM O=C([O-])CCC1CCN(C(=O)C(=O)NCCN2C(=O)CCC2=O)CC1 ZINC000659650809 485232077 /nfs/dbraw/zinc/23/20/77/485232077.db2.gz GLVPIKBZNOOUBR-UHFFFAOYSA-N -1 0 353.375 -0.645 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCCN1C(=O)CCC1=O)CC(=O)[O-] ZINC000659650961 485231884 /nfs/dbraw/zinc/23/18/84/485231884.db2.gz HZACJYRHGXCWDC-NSHDSACASA-N -1 0 355.391 -0.495 20 0 FBADRM O=C([O-])CCC1CCN(C(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000659650989 484561501 /nfs/dbraw/zinc/56/15/01/484561501.db2.gz IPXUEDDKNLVJJA-GFCCVEGCSA-N -1 0 360.432 -0.217 20 0 FBADRM O=C([O-])CCC1CCN(C(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000659650990 484561673 /nfs/dbraw/zinc/56/16/73/484561673.db2.gz IPXUEDDKNLVJJA-LBPRGKRZSA-N -1 0 360.432 -0.217 20 0 FBADRM O=C([O-])CCC1CCN(C(=O)C(=O)NCC(=O)N2CCOCC2)CC1 ZINC000659651253 485232022 /nfs/dbraw/zinc/23/20/22/485232022.db2.gz KYRCJJYAYDDLMU-UHFFFAOYSA-N -1 0 355.391 -0.935 20 0 FBADRM CC(C)c1cc(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)on1 ZINC000659651319 485232071 /nfs/dbraw/zinc/23/20/71/485232071.db2.gz MYHXKCHLTDXOOT-QLJPJBMISA-N -1 0 351.359 -0.026 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)CC(=O)[O-] ZINC000659651494 485231526 /nfs/dbraw/zinc/23/15/26/485231526.db2.gz AEOUVIGXWPKKOD-MNOVXSKESA-N -1 0 350.437 -0.211 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@H](C)S(C)(=O)=O)CC(=O)[O-] ZINC000659651496 485231699 /nfs/dbraw/zinc/23/16/99/485231699.db2.gz AEOUVIGXWPKKOD-QWRGUYRKSA-N -1 0 350.437 -0.211 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCCN1CCCCC1=O)C2 ZINC000659651503 485231756 /nfs/dbraw/zinc/23/17/56/485231756.db2.gz XJNCFWDYXNCNFF-SJKOYZFVSA-N -1 0 367.402 -0.935 20 0 FBADRM Cc1nc(CCNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)sc1C ZINC000659651532 485232286 /nfs/dbraw/zinc/23/22/86/485232286.db2.gz AMQKNPYPEGUWFT-BDJLRTHQSA-N -1 0 367.427 -0.022 20 0 FBADRM CCc1nc(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cs1 ZINC000659651778 485231749 /nfs/dbraw/zinc/23/17/49/485231749.db2.gz QCNSGOOEKLFGRK-RFAUZJTJSA-N -1 0 353.400 -0.119 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1)CC(=O)[O-] ZINC000659651831 485232046 /nfs/dbraw/zinc/23/20/46/485232046.db2.gz QOWLHJJIZPDGJT-NWDGAFQWSA-N -1 0 362.448 -0.067 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1)CC(=O)[O-] ZINC000659651833 485232176 /nfs/dbraw/zinc/23/21/76/485232176.db2.gz QOWLHJJIZPDGJT-RYUDHWBXSA-N -1 0 362.448 -0.067 20 0 FBADRM Cc1nc(C)c(CCNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)s1 ZINC000659651854 485231486 /nfs/dbraw/zinc/23/14/86/485231486.db2.gz QSGJNSGMUOXTGJ-BDJLRTHQSA-N -1 0 367.427 -0.022 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCc1cc(C(N)=O)no1)CC(=O)[O-] ZINC000659651869 485231551 /nfs/dbraw/zinc/23/15/51/485231551.db2.gz DOSFCSVEAQIYOJ-VIFPVBQESA-N -1 0 354.363 -0.357 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCc1ccn3ccnc3c1)C2 ZINC000659651951 485231503 /nfs/dbraw/zinc/23/15/03/485231503.db2.gz GBNHPIGSPWNGLH-SJKOYZFVSA-N -1 0 358.354 -0.490 20 0 FBADRM Cn1cc(N2CCC[C@@H](NC(=O)C(=O)NCC3(C(=O)[O-])CCC3)C2)cn1 ZINC000659651965 485232065 /nfs/dbraw/zinc/23/20/65/485232065.db2.gz GIZZYRJFVZKOMG-GFCCVEGCSA-N -1 0 363.418 -0.124 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)C(=O)NCC3(C(=O)[O-])CCC3)C2)cn1 ZINC000659651966 485231553 /nfs/dbraw/zinc/23/15/53/485231553.db2.gz GIZZYRJFVZKOMG-LBPRGKRZSA-N -1 0 363.418 -0.124 20 0 FBADRM Cc1cccc2nc(CNC(=O)C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)cn21 ZINC000659652242 485232000 /nfs/dbraw/zinc/23/20/00/485232000.db2.gz SMKJGXLWEKTVEE-KZULUSFZSA-N -1 0 372.381 -0.181 20 0 FBADRM COC[C@@H](NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1ccco1 ZINC000659652247 485231936 /nfs/dbraw/zinc/23/19/36/485231936.db2.gz INORQZAFUQGGCD-GLKRBJQHSA-N -1 0 352.343 -0.357 20 0 FBADRM COC[C@H](NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1ccco1 ZINC000659652258 485231720 /nfs/dbraw/zinc/23/17/20/485231720.db2.gz INORQZAFUQGGCD-OHUAYANFSA-N -1 0 352.343 -0.357 20 0 FBADRM O=C([O-])CCC1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000659652368 485232632 /nfs/dbraw/zinc/23/26/32/485232632.db2.gz JIAPSFZAFDUZEC-GFCCVEGCSA-N -1 0 351.403 -0.031 20 0 FBADRM O=C([O-])CCC1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000659652370 485233121 /nfs/dbraw/zinc/23/31/21/485233121.db2.gz JIAPSFZAFDUZEC-LBPRGKRZSA-N -1 0 351.403 -0.031 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCC3(C(=O)[O-])CCC3)C2=O)cn1 ZINC000659652405 485232943 /nfs/dbraw/zinc/23/29/43/485232943.db2.gz JRPMSDQOEJLQTO-LLVKDONJSA-N -1 0 363.374 -0.987 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)C(=O)NCC3(C(=O)[O-])CCC3)C2=O)cn1 ZINC000659652407 485232859 /nfs/dbraw/zinc/23/28/59/485232859.db2.gz JRPMSDQOEJLQTO-NSHDSACASA-N -1 0 363.374 -0.987 20 0 FBADRM CC1(C)[C@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[C@@H]2CCO[C@H]21 ZINC000659652518 485233529 /nfs/dbraw/zinc/23/35/29/485233529.db2.gz LPEAZADJLVDYMY-FUURDSRSSA-N -1 0 352.387 -0.524 20 0 FBADRM CC1(C)[C@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[C@H]2CCO[C@H]21 ZINC000659652519 485232981 /nfs/dbraw/zinc/23/29/81/485232981.db2.gz LPEAZADJLVDYMY-GKULMRRWSA-N -1 0 352.387 -0.524 20 0 FBADRM CC1(C)[C@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[C@@H]2CCO[C@@H]21 ZINC000659652520 485232949 /nfs/dbraw/zinc/23/29/49/485232949.db2.gz LPEAZADJLVDYMY-GXLYBOQMSA-N -1 0 352.387 -0.524 20 0 FBADRM CC1(C)[C@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[C@H]2CCO[C@@H]21 ZINC000659652521 485233537 /nfs/dbraw/zinc/23/35/37/485233537.db2.gz LPEAZADJLVDYMY-UAGAHCJFSA-N -1 0 352.387 -0.524 20 0 FBADRM CN(C)c1nc(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cs1 ZINC000659652670 485233388 /nfs/dbraw/zinc/23/33/88/485233388.db2.gz MJAYHAASGRNCLJ-RFAUZJTJSA-N -1 0 368.415 -0.615 20 0 FBADRM Cc1cc(C[C@H](C)NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[nH]n1 ZINC000659652709 485233229 /nfs/dbraw/zinc/23/32/29/485233229.db2.gz MYFLMYNWYPMLEN-YRXQGLPXSA-N -1 0 350.375 -0.675 20 0 FBADRM Cc1cc(C[C@@H](C)NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[nH]n1 ZINC000659652712 485232966 /nfs/dbraw/zinc/23/29/66/485232966.db2.gz MYFLMYNWYPMLEN-ZYSBLVPFSA-N -1 0 350.375 -0.675 20 0 FBADRM COC1CCC(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000659652723 485233220 /nfs/dbraw/zinc/23/32/20/485233220.db2.gz NEBJNXXIDVBDPR-SREUGNAMSA-N -1 0 354.403 -0.133 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CCC1 ZINC000659652825 485232754 /nfs/dbraw/zinc/23/27/54/485232754.db2.gz XVRAUIAZCTXSFX-MRVPVSSYSA-N -1 0 365.308 -0.363 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CCC1 ZINC000659652826 485233198 /nfs/dbraw/zinc/23/31/98/485233198.db2.gz XVRAUIAZCTXSFX-QMMMGPOBSA-N -1 0 365.308 -0.363 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCC(=O)N1CCOCC1)CC(=O)[O-] ZINC000659652846 485233300 /nfs/dbraw/zinc/23/33/00/485233300.db2.gz YIMQBGPPKOWWOV-LBPRGKRZSA-N -1 0 357.407 -0.785 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NC[C@@H]1OCCc3ccccc31)C2 ZINC000659652903 485233211 /nfs/dbraw/zinc/23/32/11/485233211.db2.gz ZRIBDRPAYAUZSX-FRIZHTMISA-N -1 0 374.393 -0.024 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NC[C@H]1OCCc3ccccc31)C2 ZINC000659652904 485233243 /nfs/dbraw/zinc/23/32/43/485233243.db2.gz ZRIBDRPAYAUZSX-ZXYWRSMDSA-N -1 0 374.393 -0.024 20 0 FBADRM Cc1noc(C)c1C[C@H](C)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659652929 485232828 /nfs/dbraw/zinc/23/28/28/485232828.db2.gz OTXAJWAVLPPXTR-DKRRZFASSA-N -1 0 365.386 -0.102 20 0 FBADRM Cc1noc(C)c1C[C@@H](C)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659652932 485233442 /nfs/dbraw/zinc/23/34/42/485233442.db2.gz OTXAJWAVLPPXTR-OGTWGDGJSA-N -1 0 365.386 -0.102 20 0 FBADRM Cc1nccn1CCCCNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659653263 485233493 /nfs/dbraw/zinc/23/34/93/485233493.db2.gz CGGXBFCZKLFTTH-CXAGYDPISA-N -1 0 364.402 -0.352 20 0 FBADRM COc1cnccc1[C@@H](C)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659653314 485233291 /nfs/dbraw/zinc/23/32/91/485233291.db2.gz RDBJPROPYPUZOI-CZIZLABSSA-N -1 0 363.370 -0.173 20 0 FBADRM COc1cnccc1[C@H](C)NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659653315 485233102 /nfs/dbraw/zinc/23/31/02/485233102.db2.gz RDBJPROPYPUZOI-WVQJBOLRSA-N -1 0 363.370 -0.173 20 0 FBADRM CC1(C)[C@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[C@@H]2CCCO[C@H]21 ZINC000659653607 485232664 /nfs/dbraw/zinc/23/26/64/485232664.db2.gz FBJBKYJRYJRBQU-APPZKNGHSA-N -1 0 366.414 -0.134 20 0 FBADRM CC1(C)[C@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[C@H]2CCCO[C@H]21 ZINC000659653611 485233471 /nfs/dbraw/zinc/23/34/71/485233471.db2.gz FBJBKYJRYJRBQU-QMQUXMOJSA-N -1 0 366.414 -0.134 20 0 FBADRM CC1(C)[C@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[C@H]2CCCO[C@@H]21 ZINC000659653616 485233342 /nfs/dbraw/zinc/23/33/42/485233342.db2.gz FBJBKYJRYJRBQU-QXIMGHOESA-N -1 0 366.414 -0.134 20 0 FBADRM CC1(C)[C@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[C@@H]2CCCO[C@@H]21 ZINC000659653623 485233545 /nfs/dbraw/zinc/23/35/45/485233545.db2.gz FBJBKYJRYJRBQU-YVHNNKAESA-N -1 0 366.414 -0.134 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCc1ccc(Cl)cn1)C2 ZINC000659653746 485233003 /nfs/dbraw/zinc/23/30/03/485233003.db2.gz VRZDREJCFCIHRI-RFAUZJTJSA-N -1 0 353.762 -0.089 20 0 FBADRM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659653966 485233938 /nfs/dbraw/zinc/23/39/38/485233938.db2.gz GMILCYOBRKOFIN-GHMZBOCLSA-N -1 0 360.432 -0.171 20 0 FBADRM CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659653968 485233869 /nfs/dbraw/zinc/23/38/69/485233869.db2.gz GMILCYOBRKOFIN-MNOVXSKESA-N -1 0 360.432 -0.171 20 0 FBADRM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659653970 485233878 /nfs/dbraw/zinc/23/38/78/485233878.db2.gz GMILCYOBRKOFIN-QWRGUYRKSA-N -1 0 360.432 -0.171 20 0 FBADRM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659653972 485234121 /nfs/dbraw/zinc/23/41/21/485234121.db2.gz GMILCYOBRKOFIN-WDEREUQCSA-N -1 0 360.432 -0.171 20 0 FBADRM CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000659654079 485233909 /nfs/dbraw/zinc/23/39/09/485233909.db2.gz IFKKLVLQERLCEH-FRIZHTMISA-N -1 0 373.409 -0.151 20 0 FBADRM CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000659654080 485233919 /nfs/dbraw/zinc/23/39/19/485233919.db2.gz IFKKLVLQERLCEH-ZXYWRSMDSA-N -1 0 373.409 -0.151 20 0 FBADRM COC[C@H](NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1ccc(C)o1 ZINC000659654164 485233972 /nfs/dbraw/zinc/23/39/72/485233972.db2.gz ZGBSSBHAWKGFSU-BWACUDIHSA-N -1 0 366.370 -0.049 20 0 FBADRM COC[C@@H](NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1ccc(C)o1 ZINC000659654165 485233928 /nfs/dbraw/zinc/23/39/28/485233928.db2.gz ZGBSSBHAWKGFSU-PSTGCABASA-N -1 0 366.370 -0.049 20 0 FBADRM Cc1nc(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)sc1C ZINC000659654174 485234447 /nfs/dbraw/zinc/23/44/47/485234447.db2.gz ZOXAHGIKMLLKLB-MEBBXXQBSA-N -1 0 353.400 -0.064 20 0 FBADRM Cc1nc(C)c(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)s1 ZINC000659654270 485234238 /nfs/dbraw/zinc/23/42/38/485234238.db2.gz JHELWANITXVEQZ-MEBBXXQBSA-N -1 0 353.400 -0.064 20 0 FBADRM CC(C)Cn1ccnc1CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659654332 485234390 /nfs/dbraw/zinc/23/43/90/485234390.db2.gz KMQUFZHARYSIJK-SJKOYZFVSA-N -1 0 364.402 -0.285 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NC2CCN(c3cccnn3)CC2)CCC1 ZINC000659654474 485233906 /nfs/dbraw/zinc/23/39/06/485233906.db2.gz NNRXASQPSHVWFL-UHFFFAOYSA-N -1 0 361.402 -0.067 20 0 FBADRM CCOc1ccc(N2CCN(C(=O)C(=O)NCCCC(=O)[O-])CC2)nn1 ZINC000659654619 485234396 /nfs/dbraw/zinc/23/43/96/485234396.db2.gz ALIKHGMCJKCMHX-UHFFFAOYSA-N -1 0 365.390 -0.495 20 0 FBADRM CS(=O)(=O)CC1(CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)CCC1 ZINC000659654628 485233935 /nfs/dbraw/zinc/23/39/35/485233935.db2.gz ATCLLEVHNSMRFX-UHFFFAOYSA-N -1 0 360.432 -0.311 20 0 FBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1 ZINC000659654638 483905683 /nfs/dbraw/zinc/90/56/83/483905683.db2.gz BFIYVVDLPZHORH-GFCCVEGCSA-N -1 0 356.423 -0.038 20 0 FBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1 ZINC000659654639 483906080 /nfs/dbraw/zinc/90/60/80/483906080.db2.gz BFIYVVDLPZHORH-LBPRGKRZSA-N -1 0 356.423 -0.038 20 0 FBADRM COc1ccc(N2C[C@H](NC(=O)C(=O)NCCCC(=O)[O-])CC2=O)cc1 ZINC000659654698 485234065 /nfs/dbraw/zinc/23/40/65/485234065.db2.gz DQHILJZCIDBHIX-LLVKDONJSA-N -1 0 363.370 -0.102 20 0 FBADRM COc1ccc(N2C[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])CC2=O)cc1 ZINC000659654699 485234211 /nfs/dbraw/zinc/23/42/11/485234211.db2.gz DQHILJZCIDBHIX-NSHDSACASA-N -1 0 363.370 -0.102 20 0 FBADRM COCC1(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCCC1 ZINC000659654722 485234441 /nfs/dbraw/zinc/23/44/41/485234441.db2.gz AMNJURVRNNWONT-SJKOYZFVSA-N -1 0 354.403 -0.131 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@H]1CCN(c3ccccn3)C1)C2 ZINC000659654788 485233990 /nfs/dbraw/zinc/23/39/90/485233990.db2.gz PPGVSVDQJNTEJL-FHSNZYRGSA-N -1 0 374.397 -0.664 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1CCN(c3ccccn3)C1)C2 ZINC000659654791 485234097 /nfs/dbraw/zinc/23/40/97/485234097.db2.gz PPGVSVDQJNTEJL-SNUQEOBHSA-N -1 0 374.397 -0.664 20 0 FBADRM C[C@H](NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1cncc(F)c1 ZINC000659655070 485233872 /nfs/dbraw/zinc/23/38/72/485233872.db2.gz GHHJOHLJLMXWNE-YRXQGLPXSA-N -1 0 351.334 -0.043 20 0 FBADRM COCC1CCC(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000659655101 485234021 /nfs/dbraw/zinc/23/40/21/485234021.db2.gz HGOGSYZMVHDTRQ-SREUGNAMSA-N -1 0 354.403 -0.133 20 0 FBADRM CCC1(O)CCC(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000659655212 485234344 /nfs/dbraw/zinc/23/43/44/485234344.db2.gz ANRWRPHDQZIHKA-UVIOIKDGSA-N -1 0 354.403 -0.254 20 0 FBADRM O=C([O-])CCC1CCN(C(=O)C(=O)NCc2nnnn2CC2CC2)CC1 ZINC000659655233 485234113 /nfs/dbraw/zinc/23/41/13/485234113.db2.gz FZDVMZVHYSQKKB-UHFFFAOYSA-N -1 0 364.406 -0.197 20 0 FBADRM CSc1nnc(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)s1 ZINC000659655236 485234026 /nfs/dbraw/zinc/23/40/26/485234026.db2.gz ATLPBTSTFXFNFR-FUXBKTLASA-N -1 0 372.428 -0.564 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCc2ccc3c(c2)C(=O)NCC3)CCC1 ZINC000659655262 485234326 /nfs/dbraw/zinc/23/43/26/485234326.db2.gz GEFLKYHYCLCJDU-UHFFFAOYSA-N -1 0 359.382 -0.040 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCc1nc2ncccn2n1)CC(=O)[O-] ZINC000659655505 485234180 /nfs/dbraw/zinc/23/41/80/485234180.db2.gz KCZJBYFJGIJSHT-NSHDSACASA-N -1 0 362.390 -0.006 20 0 FBADRM CO[C@@H]1[C@@H](C)[C@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1(C)C ZINC000659655573 485234004 /nfs/dbraw/zinc/23/40/04/485234004.db2.gz CRSWEWSMGIUHGH-APLJZOTDSA-N -1 0 354.403 -0.278 20 0 FBADRM CO[C@@H]1[C@H](C)[C@@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1(C)C ZINC000659655574 485234172 /nfs/dbraw/zinc/23/41/72/485234172.db2.gz CRSWEWSMGIUHGH-GKULMRRWSA-N -1 0 354.403 -0.278 20 0 FBADRM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1(C)C ZINC000659655575 485234262 /nfs/dbraw/zinc/23/42/62/485234262.db2.gz CRSWEWSMGIUHGH-INABMFAFSA-N -1 0 354.403 -0.278 20 0 FBADRM CO[C@@H]1[C@H](C)[C@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1(C)C ZINC000659655576 485233926 /nfs/dbraw/zinc/23/39/26/485233926.db2.gz CRSWEWSMGIUHGH-OIOPADSCSA-N -1 0 354.403 -0.278 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCCOC1CCOCC1)C2 ZINC000659655689 485234070 /nfs/dbraw/zinc/23/40/70/485234070.db2.gz WNRICYGHMVWVGX-SJKOYZFVSA-N -1 0 370.402 -0.752 20 0 FBADRM CCc1noc(CC)c1CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659655922 485234214 /nfs/dbraw/zinc/23/42/14/485234214.db2.gz GFJONXJWNILFSN-BMLIUANNSA-N -1 0 365.386 -0.025 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1[C@@H]3CCO[C@H]3C13CCC3)C2 ZINC000659655980 485234123 /nfs/dbraw/zinc/23/41/23/485234123.db2.gz HHYJHUKGIRTZMA-APPZKNGHSA-N -1 0 364.398 -0.380 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1[C@H]3CCO[C@H]3C13CCC3)C2 ZINC000659655982 485233903 /nfs/dbraw/zinc/23/39/03/485233903.db2.gz HHYJHUKGIRTZMA-QMQUXMOJSA-N -1 0 364.398 -0.380 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1[C@H]3CCO[C@@H]3C13CCC3)C2 ZINC000659655983 485234166 /nfs/dbraw/zinc/23/41/66/485234166.db2.gz HHYJHUKGIRTZMA-QXIMGHOESA-N -1 0 364.398 -0.380 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1[C@@H]3CCO[C@@H]3C13CCC3)C2 ZINC000659655985 485234069 /nfs/dbraw/zinc/23/40/69/485234069.db2.gz HHYJHUKGIRTZMA-YVHNNKAESA-N -1 0 364.398 -0.380 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCC1(S(C)(=O)=O)CC1)CC(=O)[O-] ZINC000659655987 483906296 /nfs/dbraw/zinc/90/62/96/483906296.db2.gz HIPXYHHZBXXIOH-NSHDSACASA-N -1 0 362.448 -0.067 20 0 FBADRM CCn1cccc(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1=O ZINC000659656002 485234063 /nfs/dbraw/zinc/23/40/63/485234063.db2.gz HAOHLEJBCBFTNN-SJKOYZFVSA-N -1 0 363.370 -0.956 20 0 FBADRM C[C@@]1(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO[C@@H]1C1CC1 ZINC000659656091 485234995 /nfs/dbraw/zinc/23/49/95/485234995.db2.gz ILBXKWGVWHMRHC-COCCGSRQSA-N -1 0 366.414 -0.133 20 0 FBADRM C[C@]1(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO[C@H]1C1CC1 ZINC000659656092 485235035 /nfs/dbraw/zinc/23/50/35/485235035.db2.gz ILBXKWGVWHMRHC-JGTCGTHISA-N -1 0 366.414 -0.133 20 0 FBADRM C[C@]1(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO[C@@H]1C1CC1 ZINC000659656093 485235417 /nfs/dbraw/zinc/23/54/17/485235417.db2.gz ILBXKWGVWHMRHC-XHSVMWQWSA-N -1 0 366.414 -0.133 20 0 FBADRM C[C@@]1(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO[C@H]1C1CC1 ZINC000659656094 485235214 /nfs/dbraw/zinc/23/52/14/485235214.db2.gz ILBXKWGVWHMRHC-XLQHLMKVSA-N -1 0 366.414 -0.133 20 0 FBADRM O=C([O-])CCC1CCN(C(=O)C(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000659656100 485234988 /nfs/dbraw/zinc/23/49/88/485234988.db2.gz ISGDLNRHDDYVOZ-UHFFFAOYSA-N -1 0 365.390 -0.641 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCOc1ncccc1F)C2 ZINC000659656298 485235161 /nfs/dbraw/zinc/23/51/61/485235161.db2.gz IMGNSLNGPAIGSU-QLJPJBMISA-N -1 0 367.333 -0.725 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCCCCCC(=O)[O-])CCN1S(C)(=O)=O ZINC000659656472 485235143 /nfs/dbraw/zinc/23/51/43/485235143.db2.gz RRJDSCJCSLXLFG-LLVKDONJSA-N -1 0 363.436 -0.760 20 0 FBADRM CC(C)C[C@H](CCO)CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659656529 485234850 /nfs/dbraw/zinc/23/48/50/485234850.db2.gz KCCDLOUQLVQVQB-OGHNNQOOSA-N -1 0 356.419 -0.293 20 0 FBADRM CC(C)C[C@@H](CCO)CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659656533 485235257 /nfs/dbraw/zinc/23/52/57/485235257.db2.gz KCCDLOUQLVQVQB-PBFPGSCMSA-N -1 0 356.419 -0.293 20 0 FBADRM CO[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C12CCC2 ZINC000659656584 485234859 /nfs/dbraw/zinc/23/48/59/485234859.db2.gz SWEHUYGJWSAWFE-BDBYMAIGSA-N -1 0 352.387 -0.380 20 0 FBADRM CO[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C12CCC2 ZINC000659656587 485234945 /nfs/dbraw/zinc/23/49/45/485234945.db2.gz SWEHUYGJWSAWFE-UZTWBRENSA-N -1 0 352.387 -0.380 20 0 FBADRM CO[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C12CCC2 ZINC000659656590 485235210 /nfs/dbraw/zinc/23/52/10/485235210.db2.gz SWEHUYGJWSAWFE-XSLLRJJBSA-N -1 0 352.387 -0.380 20 0 FBADRM CO[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C12CCC2 ZINC000659656592 485235001 /nfs/dbraw/zinc/23/50/01/485235001.db2.gz SWEHUYGJWSAWFE-YXPOGWMNSA-N -1 0 352.387 -0.380 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCc1nnc(C3CC3)s1)C2 ZINC000659656682 485235252 /nfs/dbraw/zinc/23/52/52/485235252.db2.gz UVXOHXBAEJDXAS-RFAUZJTJSA-N -1 0 366.399 -0.409 20 0 FBADRM CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)NCCCC(=O)[O-])C[C@H]1C(F)(F)F ZINC000659656761 485235084 /nfs/dbraw/zinc/23/50/84/485235084.db2.gz VJYDUMQWOQOJCX-HTQZYQBOSA-N -1 0 374.337 -0.599 20 0 FBADRM COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCC1(C(=O)[O-])CCC1)CC2 ZINC000659656776 485235190 /nfs/dbraw/zinc/23/51/90/485235190.db2.gz MNTSHTJVGBZQAV-JTQLQIEISA-N -1 0 365.390 -0.773 20 0 FBADRM COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NCC1(C(=O)[O-])CCC1)CC2 ZINC000659656777 485235147 /nfs/dbraw/zinc/23/51/47/485235147.db2.gz MNTSHTJVGBZQAV-SNVBAGLBSA-N -1 0 365.390 -0.773 20 0 FBADRM Cc1nnc([C@H](C)NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)s1 ZINC000659656815 485234961 /nfs/dbraw/zinc/23/49/61/485234961.db2.gz NDPDUFGFXHHPJS-AVLMYEADSA-N -1 0 354.388 -0.417 20 0 FBADRM Cc1nnc([C@@H](C)NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)s1 ZINC000659656817 485235407 /nfs/dbraw/zinc/23/54/07/485235407.db2.gz NDPDUFGFXHHPJS-BDCGGMFSSA-N -1 0 354.388 -0.417 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCOCC1CCCC1)C2 ZINC000659656963 485235128 /nfs/dbraw/zinc/23/51/28/485235128.db2.gz QAMXUHTXQATNPG-CXAGYDPISA-N -1 0 354.403 -0.131 20 0 FBADRM COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659657040 485235386 /nfs/dbraw/zinc/23/53/86/485235386.db2.gz AHOSXHSGFKXJIP-NEPJUHHUSA-N -1 0 358.391 -0.706 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659657041 485235454 /nfs/dbraw/zinc/23/54/54/485235454.db2.gz AHOSXHSGFKXJIP-NWDGAFQWSA-N -1 0 358.391 -0.706 20 0 FBADRM COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659657042 485235484 /nfs/dbraw/zinc/23/54/84/485235484.db2.gz AHOSXHSGFKXJIP-RYUDHWBXSA-N -1 0 358.391 -0.706 20 0 FBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659657043 485235042 /nfs/dbraw/zinc/23/50/42/485235042.db2.gz AHOSXHSGFKXJIP-VXGBXAGGSA-N -1 0 358.391 -0.706 20 0 FBADRM CSc1cc(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ccn1 ZINC000659657047 485235204 /nfs/dbraw/zinc/23/52/04/485235204.db2.gz AISQXLICMLYCBQ-BDJLRTHQSA-N -1 0 365.411 -0.021 20 0 FBADRM CCc1nn(C)c(OC)c1CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659657216 485234907 /nfs/dbraw/zinc/23/49/07/485234907.db2.gz QIIFKRLHOKBDPC-UHFFFAOYSA-N -1 0 352.391 -0.022 20 0 FBADRM CS(=O)(=O)C1(CNC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CC1 ZINC000659657422 485235495 /nfs/dbraw/zinc/23/54/95/485235495.db2.gz RSNFPOTYPHZWCH-UHFFFAOYSA-N -1 0 360.432 -0.217 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1nccs1 ZINC000659657555 485235137 /nfs/dbraw/zinc/23/51/37/485235137.db2.gz FVDHBBSAFGHSSN-FEUHOPSXSA-N -1 0 353.400 -0.078 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1nccs1 ZINC000659657556 485235024 /nfs/dbraw/zinc/23/50/24/485235024.db2.gz FVDHBBSAFGHSSN-IQMDTDKHSA-N -1 0 353.400 -0.078 20 0 FBADRM CCc1cnc(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)s1 ZINC000659657557 485234954 /nfs/dbraw/zinc/23/49/54/485234954.db2.gz FVVZMMYHGJBSPD-RFAUZJTJSA-N -1 0 353.400 -0.119 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCc2nc(-c3ccccn3)n[nH]2)CCC1 ZINC000659657563 485235362 /nfs/dbraw/zinc/23/53/62/485235362.db2.gz UYCMELLEVYLSFB-UHFFFAOYSA-N -1 0 358.358 -0.146 20 0 FBADRM CCOC1CC(CCNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000659657723 485235284 /nfs/dbraw/zinc/23/52/84/485235284.db2.gz ZCOYJDKLRGXYCM-SREUGNAMSA-N -1 0 354.403 -0.133 20 0 FBADRM CC(C)(C)n1ncnc1CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659657748 485235269 /nfs/dbraw/zinc/23/52/69/485235269.db2.gz ZVCRTIYDNIJIRB-QLJPJBMISA-N -1 0 365.390 -0.791 20 0 FBADRM COCCC1(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCC1 ZINC000659657766 485235059 /nfs/dbraw/zinc/23/50/59/485235059.db2.gz SULLXHSKICDCCB-SJKOYZFVSA-N -1 0 354.403 -0.131 20 0 FBADRM C[C@H]1C[C@@H](CCNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO1 ZINC000659658019 485235472 /nfs/dbraw/zinc/23/54/72/485235472.db2.gz JHCINVKWAGMFKD-APNQJHFZSA-N -1 0 354.403 -0.133 20 0 FBADRM C[C@@H]1C[C@H](CCNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO1 ZINC000659658020 485235072 /nfs/dbraw/zinc/23/50/72/485235072.db2.gz JHCINVKWAGMFKD-HPTBWKMGSA-N -1 0 354.403 -0.133 20 0 FBADRM C[C@@H]1C[C@@H](CCNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO1 ZINC000659658021 485235248 /nfs/dbraw/zinc/23/52/48/485235248.db2.gz JHCINVKWAGMFKD-IPJQOSJUSA-N -1 0 354.403 -0.133 20 0 FBADRM C[C@H]1C[C@H](CCNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO1 ZINC000659658022 485235078 /nfs/dbraw/zinc/23/50/78/485235078.db2.gz JHCINVKWAGMFKD-SFDCBXKLSA-N -1 0 354.403 -0.133 20 0 FBADRM CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)NCCC(=O)[O-])C[C@H]1C(F)(F)F ZINC000659658130 485235066 /nfs/dbraw/zinc/23/50/66/485235066.db2.gz HLACRZHSUIOECA-RNFRBKRXSA-N -1 0 360.310 -0.989 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1)CC(=O)[O-] ZINC000659658162 485235543 /nfs/dbraw/zinc/23/55/43/485235543.db2.gz WTDHSCXDAJWZSB-QJPTWQEYSA-N -1 0 357.407 -0.611 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)CC(=O)[O-] ZINC000659658163 485235094 /nfs/dbraw/zinc/23/50/94/485235094.db2.gz WTDHSCXDAJWZSB-SDDRHHMPSA-N -1 0 357.407 -0.611 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)CC(=O)[O-] ZINC000659658164 485235057 /nfs/dbraw/zinc/23/50/57/485235057.db2.gz WTDHSCXDAJWZSB-SRVKXCTJSA-N -1 0 357.407 -0.611 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)CC(=O)[O-] ZINC000659658165 485234967 /nfs/dbraw/zinc/23/49/67/485234967.db2.gz WTDHSCXDAJWZSB-TUAOUCFPSA-N -1 0 357.407 -0.611 20 0 FBADRM CCOCCC1(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000659658173 485235479 /nfs/dbraw/zinc/23/54/79/485235479.db2.gz XAPUSSYNPOEBER-SJKOYZFVSA-N -1 0 354.403 -0.131 20 0 FBADRM O=C([O-])CCC1CCN(C(=O)C(=O)NCc2nnnn2C2CC2)CC1 ZINC000659658220 485235122 /nfs/dbraw/zinc/23/51/22/485235122.db2.gz KYQXBUPBEXMPHW-UHFFFAOYSA-N -1 0 350.379 -0.272 20 0 FBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)O1 ZINC000659658244 485235223 /nfs/dbraw/zinc/23/52/23/485235223.db2.gz YDPLRJMBOPVNON-GHMZBOCLSA-N -1 0 355.391 -0.891 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)O1 ZINC000659658251 485235013 /nfs/dbraw/zinc/23/50/13/485235013.db2.gz YDPLRJMBOPVNON-MNOVXSKESA-N -1 0 355.391 -0.891 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)O1 ZINC000659658256 485235089 /nfs/dbraw/zinc/23/50/89/485235089.db2.gz YDPLRJMBOPVNON-QWRGUYRKSA-N -1 0 355.391 -0.891 20 0 FBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)O1 ZINC000659658259 485234821 /nfs/dbraw/zinc/23/48/21/485234821.db2.gz YDPLRJMBOPVNON-WDEREUQCSA-N -1 0 355.391 -0.891 20 0 FBADRM CC(C)(C)N1C[C@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1=O ZINC000659658302 485235133 /nfs/dbraw/zinc/23/51/33/485235133.db2.gz YKHBOGIRGJUBGY-CZIZLABSSA-N -1 0 367.402 -0.938 20 0 FBADRM CC(C)(C)N1C[C@@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1=O ZINC000659658305 485235178 /nfs/dbraw/zinc/23/51/78/485235178.db2.gz YKHBOGIRGJUBGY-VGTOOOLASA-N -1 0 367.402 -0.938 20 0 FBADRM CN(C)c1cccc(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000659658332 485235459 /nfs/dbraw/zinc/23/54/59/485235459.db2.gz NAVDXVSWPGDGFL-PIGZYNQJSA-N -1 0 362.386 -0.677 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1CCO[C@@H](C3CC3)C1)C2 ZINC000659658340 485234933 /nfs/dbraw/zinc/23/49/33/485234933.db2.gz NGJYVTKADMUZSX-HPTBWKMGSA-N -1 0 352.387 -0.380 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@H]1CCO[C@@H](C3CC3)C1)C2 ZINC000659658341 485235412 /nfs/dbraw/zinc/23/54/12/485235412.db2.gz NGJYVTKADMUZSX-IPJQOSJUSA-N -1 0 352.387 -0.380 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1CCO[C@H](C3CC3)C1)C2 ZINC000659658342 485235007 /nfs/dbraw/zinc/23/50/07/485235007.db2.gz NGJYVTKADMUZSX-KOFHJDLBSA-N -1 0 352.387 -0.380 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@H]1CCO[C@H](C3CC3)C1)C2 ZINC000659658343 485235552 /nfs/dbraw/zinc/23/55/52/485235552.db2.gz NGJYVTKADMUZSX-ZOPJHEKZSA-N -1 0 352.387 -0.380 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)O1 ZINC000659658349 485234912 /nfs/dbraw/zinc/23/49/12/485234912.db2.gz YZBFFGFHBOGOBT-NEPJUHHUSA-N -1 0 355.391 -0.761 20 0 FBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)O1 ZINC000659658350 485235308 /nfs/dbraw/zinc/23/53/08/485235308.db2.gz YZBFFGFHBOGOBT-NWDGAFQWSA-N -1 0 355.391 -0.761 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)O1 ZINC000659658351 485234981 /nfs/dbraw/zinc/23/49/81/485234981.db2.gz YZBFFGFHBOGOBT-RYUDHWBXSA-N -1 0 355.391 -0.761 20 0 FBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)O1 ZINC000659658352 485235517 /nfs/dbraw/zinc/23/55/17/485235517.db2.gz YZBFFGFHBOGOBT-VXGBXAGGSA-N -1 0 355.391 -0.761 20 0 FBADRM C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)CS1(=O)=O ZINC000659658430 485235176 /nfs/dbraw/zinc/23/51/76/485235176.db2.gz JGEVUJJBKJIIFJ-HBIQZDMRSA-N -1 0 360.432 -0.172 20 0 FBADRM C[C@H]1CC[C@@H](NC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)CS1(=O)=O ZINC000659658432 485235465 /nfs/dbraw/zinc/23/54/65/485235465.db2.gz JGEVUJJBKJIIFJ-WNYYMSAVSA-N -1 0 360.432 -0.172 20 0 FBADRM C[C@H]1CC[C@H](NC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)CS1(=O)=O ZINC000659658434 485235305 /nfs/dbraw/zinc/23/53/05/485235305.db2.gz JGEVUJJBKJIIFJ-XKGSQUFQSA-N -1 0 360.432 -0.172 20 0 FBADRM C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)CS1(=O)=O ZINC000659658435 485235228 /nfs/dbraw/zinc/23/52/28/485235228.db2.gz JGEVUJJBKJIIFJ-YYJSSNLHSA-N -1 0 360.432 -0.172 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659658459 485234974 /nfs/dbraw/zinc/23/49/74/485234974.db2.gz JRQFZEFULNTJFK-BETUJISGSA-N -1 0 373.365 -0.779 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1CCC[C@@H]3OCC[C@H]31)C2 ZINC000659658512 485236289 /nfs/dbraw/zinc/23/62/89/485236289.db2.gz ZXXKAFLNLUFCHI-DMGVNNLFSA-N -1 0 352.387 -0.380 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1CCC[C@H]3OCC[C@H]31)C2 ZINC000659658513 485236413 /nfs/dbraw/zinc/23/64/13/485236413.db2.gz ZXXKAFLNLUFCHI-QMZWZUABSA-N -1 0 352.387 -0.380 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1CCC[C@H]3OCC[C@@H]31)C2 ZINC000659658515 485236387 /nfs/dbraw/zinc/23/63/87/485236387.db2.gz ZXXKAFLNLUFCHI-VRDFHVSKSA-N -1 0 352.387 -0.380 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1CCC[C@@H]3OCC[C@@H]31)C2 ZINC000659658516 485236367 /nfs/dbraw/zinc/23/63/67/485236367.db2.gz ZXXKAFLNLUFCHI-WLEJMLQUSA-N -1 0 352.387 -0.380 20 0 FBADRM CC(C)[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO1 ZINC000659658599 485236083 /nfs/dbraw/zinc/23/60/83/485236083.db2.gz OUFKSLRGEPCRJB-HPTBWKMGSA-N -1 0 354.403 -0.134 20 0 FBADRM CC(C)[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO1 ZINC000659658600 485236070 /nfs/dbraw/zinc/23/60/70/485236070.db2.gz OUFKSLRGEPCRJB-IPJQOSJUSA-N -1 0 354.403 -0.134 20 0 FBADRM CC(C)[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO1 ZINC000659658601 485236025 /nfs/dbraw/zinc/23/60/25/485236025.db2.gz OUFKSLRGEPCRJB-KOFHJDLBSA-N -1 0 354.403 -0.134 20 0 FBADRM CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO1 ZINC000659658602 485236360 /nfs/dbraw/zinc/23/63/60/485236360.db2.gz OUFKSLRGEPCRJB-ZOPJHEKZSA-N -1 0 354.403 -0.134 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCc1cnc(C3CC3)nc1)C2 ZINC000659658900 485236055 /nfs/dbraw/zinc/23/60/55/485236055.db2.gz RCVNKTAOEYHSNA-FZKQIMNGSA-N -1 0 374.397 -0.428 20 0 FBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)CC1 ZINC000659659008 483906817 /nfs/dbraw/zinc/90/68/17/483906817.db2.gz OMMICFISRXGAPW-UHFFFAOYSA-N -1 0 360.432 -0.171 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCc1nnnn1C1CC1)CC(=O)[O-] ZINC000659659204 485236381 /nfs/dbraw/zinc/23/63/81/485236381.db2.gz USOUXTXYKYJNBG-JTQLQIEISA-N -1 0 352.395 -0.123 20 0 FBADRM CC(C)(CCNC(=O)C(=O)NCc1nnnn1-c1ccccc1)C(=O)[O-] ZINC000659659355 485235914 /nfs/dbraw/zinc/23/59/14/485235914.db2.gz IMKNAAHCCWCJKD-UHFFFAOYSA-N -1 0 360.374 -0.104 20 0 FBADRM CCOc1ccc(N2CCN(C(=O)C(=O)NCCC(=O)[O-])CC2)nn1 ZINC000659659436 485235956 /nfs/dbraw/zinc/23/59/56/485235956.db2.gz TXLSPMYPSMZMSK-UHFFFAOYSA-N -1 0 351.363 -0.885 20 0 FBADRM CC[C@@H](NC(=O)C(=O)NCC1(C(=O)[O-])CCC1)C(=O)N1CCOCC1 ZINC000659659499 485236350 /nfs/dbraw/zinc/23/63/50/485236350.db2.gz XFJMHJYWKBPOFR-LLVKDONJSA-N -1 0 355.391 -0.889 20 0 FBADRM CC[C@H](NC(=O)C(=O)NCC1(C(=O)[O-])CCC1)C(=O)N1CCOCC1 ZINC000659659500 485236428 /nfs/dbraw/zinc/23/64/28/485236428.db2.gz XFJMHJYWKBPOFR-NSHDSACASA-N -1 0 355.391 -0.889 20 0 FBADRM CO[C@H](CCNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C(F)(F)F ZINC000659659521 485236439 /nfs/dbraw/zinc/23/64/39/485236439.db2.gz XOERKMNRQDCSEY-JRKPZEMJSA-N -1 0 368.308 -0.370 20 0 FBADRM CO[C@@H](CCNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C(F)(F)F ZINC000659659522 485236536 /nfs/dbraw/zinc/23/65/36/485236536.db2.gz XOERKMNRQDCSEY-VYUIOLGVSA-N -1 0 368.308 -0.370 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H](CN3CCCC3=O)C2)C1 ZINC000659659627 485236335 /nfs/dbraw/zinc/23/63/35/485236335.db2.gz CQMBUXDJFFNQCF-UPJWGTAASA-N -1 0 351.403 -0.173 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC000659659628 485236119 /nfs/dbraw/zinc/23/61/19/485236119.db2.gz CQMBUXDJFFNQCF-XQQFMLRXSA-N -1 0 351.403 -0.173 20 0 FBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000659659640 485235998 /nfs/dbraw/zinc/23/59/98/485235998.db2.gz CUONJTXHDPLERZ-QJPTWQEYSA-N -1 0 354.407 -0.430 20 0 FBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000659659641 485235983 /nfs/dbraw/zinc/23/59/83/485235983.db2.gz CUONJTXHDPLERZ-TUAOUCFPSA-N -1 0 354.407 -0.430 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1)C(=O)[O-] ZINC000659659757 485236032 /nfs/dbraw/zinc/23/60/32/485236032.db2.gz KYHLGDQOLYDDQV-CHWSQXEVSA-N -1 0 351.407 -0.010 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1)C(=O)[O-] ZINC000659659760 485236516 /nfs/dbraw/zinc/23/65/16/485236516.db2.gz KYHLGDQOLYDDQV-OLZOCXBDSA-N -1 0 351.407 -0.010 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1)C(=O)[O-] ZINC000659659762 485236239 /nfs/dbraw/zinc/23/62/39/485236239.db2.gz KYHLGDQOLYDDQV-QWHCGFSZSA-N -1 0 351.407 -0.010 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1)C(=O)[O-] ZINC000659659763 485236550 /nfs/dbraw/zinc/23/65/50/485236550.db2.gz KYHLGDQOLYDDQV-STQMWFEESA-N -1 0 351.407 -0.010 20 0 FBADRM CC[C@H](NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C1CCOCC1 ZINC000659659865 485236075 /nfs/dbraw/zinc/23/60/75/485236075.db2.gz ZRLNRVWYFJCSOR-IIYDPXPESA-N -1 0 354.403 -0.133 20 0 FBADRM CC[C@@H](NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C1CCOCC1 ZINC000659659869 485235989 /nfs/dbraw/zinc/23/59/89/485235989.db2.gz ZRLNRVWYFJCSOR-PBFPGSCMSA-N -1 0 354.403 -0.133 20 0 FBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000659659878 485236296 /nfs/dbraw/zinc/23/62/96/485236296.db2.gz WBPHCLKDFNQYFV-BPCQOVAHSA-N -1 0 368.434 -0.040 20 0 FBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000659659879 485236500 /nfs/dbraw/zinc/23/65/00/485236500.db2.gz WBPHCLKDFNQYFV-WXRRBKDZSA-N -1 0 368.434 -0.040 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000659659880 485236271 /nfs/dbraw/zinc/23/62/71/485236271.db2.gz WBRBOOSNCKMAPK-CABCVRRESA-N -1 0 361.398 -0.311 20 0 FBADRM CCc1cnc(CCNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)s1 ZINC000659659894 485236523 /nfs/dbraw/zinc/23/65/23/485236523.db2.gz ZTSKSFBJHZSSFA-QLJPJBMISA-N -1 0 367.427 -0.076 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1)C(=O)[O-] ZINC000659659962 485235970 /nfs/dbraw/zinc/23/59/70/485235970.db2.gz DYXRFJZHGOTYQM-JHJVBQTASA-N -1 0 353.419 -0.023 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1)C(=O)[O-] ZINC000659659963 485236531 /nfs/dbraw/zinc/23/65/31/485236531.db2.gz DYXRFJZHGOTYQM-UPJWGTAASA-N -1 0 353.419 -0.023 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1)C(=O)[O-] ZINC000659659964 485236131 /nfs/dbraw/zinc/23/61/31/485236131.db2.gz DYXRFJZHGOTYQM-XQQFMLRXSA-N -1 0 353.419 -0.023 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1)C(=O)[O-] ZINC000659659965 485236089 /nfs/dbraw/zinc/23/60/89/485236089.db2.gz DYXRFJZHGOTYQM-YNEHKIRRSA-N -1 0 353.419 -0.023 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1)C(=O)[O-] ZINC000659660321 485236011 /nfs/dbraw/zinc/23/60/11/485236011.db2.gz OYQNVWGAYNDSKY-KBPBESRZSA-N -1 0 355.435 -0.217 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1)C(=O)[O-] ZINC000659660323 485236135 /nfs/dbraw/zinc/23/61/35/485236135.db2.gz OYQNVWGAYNDSKY-KGLIPLIRSA-N -1 0 355.435 -0.217 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1)C(=O)[O-] ZINC000659660325 485236223 /nfs/dbraw/zinc/23/62/23/485236223.db2.gz OYQNVWGAYNDSKY-UONOGXRCSA-N -1 0 355.435 -0.217 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1)C(=O)[O-] ZINC000659660327 485236342 /nfs/dbraw/zinc/23/63/42/485236342.db2.gz OYQNVWGAYNDSKY-ZIAGYGMSSA-N -1 0 355.435 -0.217 20 0 FBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000659660337 485236065 /nfs/dbraw/zinc/23/60/65/485236065.db2.gz PFFWOONGUZOHCK-LLVKDONJSA-N -1 0 356.423 -0.182 20 0 FBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000659660338 485236539 /nfs/dbraw/zinc/23/65/39/485236539.db2.gz PFFWOONGUZOHCK-NSHDSACASA-N -1 0 356.423 -0.182 20 0 FBADRM CCOc1ccc(N2CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC2)nn1 ZINC000659660424 485236521 /nfs/dbraw/zinc/23/65/21/485236521.db2.gz ACOKCQKQEYKPPN-LLVKDONJSA-N -1 0 365.390 -0.639 20 0 FBADRM CCOc1ccc(N2CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC2)nn1 ZINC000659660425 485236004 /nfs/dbraw/zinc/23/60/04/485236004.db2.gz ACOKCQKQEYKPPN-NSHDSACASA-N -1 0 365.390 -0.639 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1)C(=O)[O-] ZINC000659660432 485236147 /nfs/dbraw/zinc/23/61/47/485236147.db2.gz AGJHYGKVLDNDGT-CHWSQXEVSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1)C(=O)[O-] ZINC000659660433 485236233 /nfs/dbraw/zinc/23/62/33/485236233.db2.gz AGJHYGKVLDNDGT-OLZOCXBDSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1)C(=O)[O-] ZINC000659660434 485236216 /nfs/dbraw/zinc/23/62/16/485236216.db2.gz AGJHYGKVLDNDGT-QWHCGFSZSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1)C(=O)[O-] ZINC000659660435 485236409 /nfs/dbraw/zinc/23/64/09/485236409.db2.gz AGJHYGKVLDNDGT-STQMWFEESA-N -1 0 353.419 -0.070 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC000659660464 485235898 /nfs/dbraw/zinc/23/58/98/485235898.db2.gz ASAAVCFPXNARFJ-LLVKDONJSA-N -1 0 362.448 -0.210 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)NCCC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC000659660465 485236442 /nfs/dbraw/zinc/23/64/42/485236442.db2.gz ASAAVCFPXNARFJ-NSHDSACASA-N -1 0 362.448 -0.210 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCc1nc(C(N)=O)cs1)C(=O)[O-] ZINC000659660529 485235857 /nfs/dbraw/zinc/23/58/57/485235857.db2.gz KEXXHDNVSRAABJ-MRVPVSSYSA-N -1 0 356.404 -0.279 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCc1nc(C(N)=O)cs1)C(=O)[O-] ZINC000659660530 485236534 /nfs/dbraw/zinc/23/65/34/485236534.db2.gz KEXXHDNVSRAABJ-QMMMGPOBSA-N -1 0 356.404 -0.279 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCc2cc(=O)n3ccccc3n2)CCC1 ZINC000659660747 485236483 /nfs/dbraw/zinc/23/64/83/485236483.db2.gz CXMWKSMUSVGWOL-UHFFFAOYSA-N -1 0 358.354 -0.318 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC000659660756 485236488 /nfs/dbraw/zinc/23/64/88/485236488.db2.gz DEISANVECKOORZ-CSMHCCOUSA-N -1 0 374.337 -0.743 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC000659660757 485236286 /nfs/dbraw/zinc/23/62/86/485236286.db2.gz DEISANVECKOORZ-FXQIFTODSA-N -1 0 374.337 -0.743 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)C(=O)[O-] ZINC000659660802 485236557 /nfs/dbraw/zinc/23/65/57/485236557.db2.gz DYMBYVKTZRXKIC-NEPJUHHUSA-N -1 0 356.423 -0.326 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1)C(=O)[O-] ZINC000659660803 485236129 /nfs/dbraw/zinc/23/61/29/485236129.db2.gz DYMBYVKTZRXKIC-NWDGAFQWSA-N -1 0 356.423 -0.326 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1)C(=O)[O-] ZINC000659660804 485235866 /nfs/dbraw/zinc/23/58/66/485235866.db2.gz DYMBYVKTZRXKIC-RYUDHWBXSA-N -1 0 356.423 -0.326 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)C(=O)[O-] ZINC000659660805 485235962 /nfs/dbraw/zinc/23/59/62/485235962.db2.gz DYMBYVKTZRXKIC-VXGBXAGGSA-N -1 0 356.423 -0.326 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1)C(=O)[O-] ZINC000659660818 485236419 /nfs/dbraw/zinc/23/64/19/485236419.db2.gz MIRHQUSQLRHLOQ-CYBMUJFWSA-N -1 0 355.435 -0.073 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1)C(=O)[O-] ZINC000659660819 485236037 /nfs/dbraw/zinc/23/60/37/485236037.db2.gz MIRHQUSQLRHLOQ-ZDUSSCGKSA-N -1 0 355.435 -0.073 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CCN1S(C)(=O)=O ZINC000659660932 485236434 /nfs/dbraw/zinc/23/64/34/485236434.db2.gz VIVDMDLXHVYYNL-SNVBAGLBSA-N -1 0 363.436 -0.904 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCCN2C[C@@H]3CCCCN3C2=O)C1 ZINC000659661170 485236405 /nfs/dbraw/zinc/23/64/05/485236405.db2.gz PYJOTZPYIOGZEO-AGIUHOORSA-N -1 0 366.418 -0.238 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCCN2C[C@H]3CCCCN3C2=O)C1 ZINC000659661173 485236374 /nfs/dbraw/zinc/23/63/74/485236374.db2.gz PYJOTZPYIOGZEO-FRRDWIJNSA-N -1 0 366.418 -0.238 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)NCc1nc(C(N)=O)cs1)C(=O)[O-] ZINC000659661507 485235873 /nfs/dbraw/zinc/23/58/73/485235873.db2.gz UPHASCJNVYOLFZ-UHFFFAOYSA-N -1 0 356.404 -0.135 20 0 FBADRM Cc1cnc(CCNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c(C)c1 ZINC000659661598 485236247 /nfs/dbraw/zinc/23/62/47/485236247.db2.gz KTFUJDWJXIHJSO-FZKQIMNGSA-N -1 0 361.398 -0.083 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCc2nnnn2-c2ccccc2)C1 ZINC000659661636 485235930 /nfs/dbraw/zinc/23/59/30/485235930.db2.gz VOBSRGUREGGUGF-MNOVXSKESA-N -1 0 358.358 -0.352 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1)C(=O)[O-] ZINC000659661643 485236447 /nfs/dbraw/zinc/23/64/47/485236447.db2.gz VPVYKKHDKNANRC-IJLUTSLNSA-N -1 0 362.448 -0.069 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1)C(=O)[O-] ZINC000659661644 485236332 /nfs/dbraw/zinc/23/63/32/485236332.db2.gz VPVYKKHDKNANRC-QJPTWQEYSA-N -1 0 362.448 -0.069 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1)C(=O)[O-] ZINC000659661645 485235889 /nfs/dbraw/zinc/23/58/89/485235889.db2.gz VPVYKKHDKNANRC-TUAOUCFPSA-N -1 0 362.448 -0.069 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1)C(=O)[O-] ZINC000659661646 485236251 /nfs/dbraw/zinc/23/62/51/485236251.db2.gz VPVYKKHDKNANRC-UTUOFQBUSA-N -1 0 362.448 -0.069 20 0 FBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000659661655 485236354 /nfs/dbraw/zinc/23/63/54/485236354.db2.gz VUHNSVGYDZRRSF-LLVKDONJSA-N -1 0 362.448 -0.067 20 0 FBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC1 ZINC000659661656 485236280 /nfs/dbraw/zinc/23/62/80/485236280.db2.gz VUHNSVGYDZRRSF-NSHDSACASA-N -1 0 362.448 -0.067 20 0 FBADRM COc1ccc(N2C[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC2=O)cc1 ZINC000659661765 485236257 /nfs/dbraw/zinc/23/62/57/485236257.db2.gz MACPVIAFAVWRHM-GHMZBOCLSA-N -1 0 363.370 -0.246 20 0 FBADRM COc1ccc(N2C[C@@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC2=O)cc1 ZINC000659661766 485236265 /nfs/dbraw/zinc/23/62/65/485236265.db2.gz MACPVIAFAVWRHM-MNOVXSKESA-N -1 0 363.370 -0.246 20 0 FBADRM COc1ccc(N2C[C@@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])CC2=O)cc1 ZINC000659661767 485236547 /nfs/dbraw/zinc/23/65/47/485236547.db2.gz MACPVIAFAVWRHM-QWRGUYRKSA-N -1 0 363.370 -0.246 20 0 FBADRM COc1ccc(N2C[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])CC2=O)cc1 ZINC000659661768 485236275 /nfs/dbraw/zinc/23/62/75/485236275.db2.gz MACPVIAFAVWRHM-WDEREUQCSA-N -1 0 363.370 -0.246 20 0 FBADRM CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1=O ZINC000659661842 485236167 /nfs/dbraw/zinc/23/61/67/485236167.db2.gz XYHDYKDIJWIEMV-CZIZLABSSA-N -1 0 367.402 -0.938 20 0 FBADRM CC(C)(C)N1CC[C@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1=O ZINC000659661843 485235975 /nfs/dbraw/zinc/23/59/75/485235975.db2.gz XYHDYKDIJWIEMV-VGTOOOLASA-N -1 0 367.402 -0.938 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCC(=O)N(C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000659662082 485235902 /nfs/dbraw/zinc/23/59/02/485235902.db2.gz PGHNUYVIDWSUAV-GRYCIOLGSA-N -1 0 353.419 -0.071 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CCC(=O)N(C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000659662083 485236470 /nfs/dbraw/zinc/23/64/70/485236470.db2.gz PGHNUYVIDWSUAV-SDDRHHMPSA-N -1 0 353.419 -0.071 20 0 FBADRM COc1cccc(OC)c1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000659662125 485236492 /nfs/dbraw/zinc/23/64/92/485236492.db2.gz APHWPIWZOPYFPZ-CYBMUJFWSA-N -1 0 352.343 -0.368 20 0 FBADRM COc1cccc(OC)c1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000659662126 485236835 /nfs/dbraw/zinc/23/68/35/485236835.db2.gz APHWPIWZOPYFPZ-ZDUSSCGKSA-N -1 0 352.343 -0.368 20 0 FBADRM COc1ccc(N2C[C@H](NC(=O)C(=O)N(C)CCC(=O)[O-])CC2=O)cc1 ZINC000659662539 485237350 /nfs/dbraw/zinc/23/73/50/485237350.db2.gz GMIILKPVCCMLQA-LLVKDONJSA-N -1 0 363.370 -0.150 20 0 FBADRM COc1ccc(N2C[C@@H](NC(=O)C(=O)N(C)CCC(=O)[O-])CC2=O)cc1 ZINC000659662540 485236892 /nfs/dbraw/zinc/23/68/92/485236892.db2.gz GMIILKPVCCMLQA-NSHDSACASA-N -1 0 363.370 -0.150 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCO[C@@H]2CC2(F)F)CCOCC1 ZINC000659662553 485237436 /nfs/dbraw/zinc/23/74/36/485237436.db2.gz GSLOOYHCFWILKO-SECBINFHSA-N -1 0 350.318 -0.476 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCO[C@H]2CC2(F)F)CCOCC1 ZINC000659662554 485237442 /nfs/dbraw/zinc/23/74/42/485237442.db2.gz GSLOOYHCFWILKO-VIFPVBQESA-N -1 0 350.318 -0.476 20 0 FBADRM Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC000659662631 485236955 /nfs/dbraw/zinc/23/69/55/485236955.db2.gz AJWCURKZCSNMJT-BFHYXJOUSA-N -1 0 364.402 -0.441 20 0 FBADRM Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC000659662633 485236968 /nfs/dbraw/zinc/23/69/68/485236968.db2.gz AJWCURKZCSNMJT-IHRRRGAJSA-N -1 0 364.402 -0.441 20 0 FBADRM Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC000659662635 485236994 /nfs/dbraw/zinc/23/69/94/485236994.db2.gz AJWCURKZCSNMJT-MELADBBJSA-N -1 0 364.402 -0.441 20 0 FBADRM Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC000659662637 485237445 /nfs/dbraw/zinc/23/74/45/485237445.db2.gz AJWCURKZCSNMJT-MJBXVCDLSA-N -1 0 364.402 -0.441 20 0 FBADRM NC(=O)c1csc(CNC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)n1 ZINC000659662663 485236750 /nfs/dbraw/zinc/23/67/50/485236750.db2.gz AZVXPABGFIWPEO-UHFFFAOYSA-N -1 0 368.415 -0.038 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)C[C@H]1C(=O)[O-] ZINC000659662785 485236789 /nfs/dbraw/zinc/23/67/89/485236789.db2.gz CWDDKISPOUTJBN-HTQZYQBOSA-N -1 0 354.388 -0.573 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)C[C@H]1C(=O)[O-] ZINC000659662786 485237274 /nfs/dbraw/zinc/23/72/74/485237274.db2.gz CWDDKISPOUTJBN-JGVFFNPUSA-N -1 0 354.388 -0.573 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)C[C@@H]1C(=O)[O-] ZINC000659662787 485237093 /nfs/dbraw/zinc/23/70/93/485237093.db2.gz CWDDKISPOUTJBN-SFYZADRCSA-N -1 0 354.388 -0.573 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)C[C@@H]1C(=O)[O-] ZINC000659662788 485237411 /nfs/dbraw/zinc/23/74/11/485237411.db2.gz CWDDKISPOUTJBN-YUMQZZPRSA-N -1 0 354.388 -0.573 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCN2C[C@@H]3CCCCN3C2=O)C1 ZINC000659662818 485237293 /nfs/dbraw/zinc/23/72/93/485237293.db2.gz AKPIMPSFBBSIKD-NEPJUHHUSA-N -1 0 352.391 -0.674 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCN2C[C@H]3CCCCN3C2=O)C1 ZINC000659662819 485237577 /nfs/dbraw/zinc/23/75/77/485237577.db2.gz AKPIMPSFBBSIKD-NWDGAFQWSA-N -1 0 352.391 -0.674 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCN2C[C@@H]3CCCCN3C2=O)C1 ZINC000659662820 485237583 /nfs/dbraw/zinc/23/75/83/485237583.db2.gz AKPIMPSFBBSIKD-RYUDHWBXSA-N -1 0 352.391 -0.674 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCN2C[C@H]3CCCCN3C2=O)C1 ZINC000659662821 485237455 /nfs/dbraw/zinc/23/74/55/485237455.db2.gz AKPIMPSFBBSIKD-VXGBXAGGSA-N -1 0 352.391 -0.674 20 0 FBADRM CO[C@@H](CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C1CCCC1 ZINC000659662837 485237006 /nfs/dbraw/zinc/23/70/06/485237006.db2.gz ATGVGOIDXHQMJW-IIYDPXPESA-N -1 0 354.403 -0.133 20 0 FBADRM CO[C@H](CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C1CCCC1 ZINC000659662838 485237310 /nfs/dbraw/zinc/23/73/10/485237310.db2.gz ATGVGOIDXHQMJW-PBFPGSCMSA-N -1 0 354.403 -0.133 20 0 FBADRM CN(CCCNC(=O)C(=O)NCc1cccc(C(=O)[O-])c1)S(C)(=O)=O ZINC000659662911 485237379 /nfs/dbraw/zinc/23/73/79/485237379.db2.gz HLYAJKXBSZTGNY-UHFFFAOYSA-N -1 0 371.415 -0.601 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)NCc1nnnn1-c1ccccc1)C(=O)[O-] ZINC000659663053 485237086 /nfs/dbraw/zinc/23/70/86/485237086.db2.gz WZENBEUKRZIBHA-GFCCVEGCSA-N -1 0 360.374 -0.249 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)NCc1nnnn1-c1ccccc1)C(=O)[O-] ZINC000659663054 485237072 /nfs/dbraw/zinc/23/70/72/485237072.db2.gz WZENBEUKRZIBHA-LBPRGKRZSA-N -1 0 360.374 -0.249 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCN2C[C@H]3CCCCN3C2=O)CCC1 ZINC000659663170 485237064 /nfs/dbraw/zinc/23/70/64/485237064.db2.gz CRFAINZMFPUDDV-GFCCVEGCSA-N -1 0 366.418 -0.236 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCN2C[C@@H]3CCCCN3C2=O)CCC1 ZINC000659663172 485236840 /nfs/dbraw/zinc/23/68/40/485236840.db2.gz CRFAINZMFPUDDV-LBPRGKRZSA-N -1 0 366.418 -0.236 20 0 FBADRM Cn1ncc(C2CC2)c1CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659663248 485237371 /nfs/dbraw/zinc/23/73/71/485237371.db2.gz FWEHJPMVXPJLLJ-PIGZYNQJSA-N -1 0 362.386 -0.527 20 0 FBADRM Cn1ncc(C2CCC2)c1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000659663297 485237474 /nfs/dbraw/zinc/23/74/74/485237474.db2.gz FYOTZACVJYQAMJ-CYBMUJFWSA-N -1 0 350.375 -0.384 20 0 FBADRM Cn1ncc(C2CCC2)c1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000659663298 485236845 /nfs/dbraw/zinc/23/68/45/485236845.db2.gz FYOTZACVJYQAMJ-ZDUSSCGKSA-N -1 0 350.375 -0.384 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCN1C[C@H]2CCCCN2C1=O)C(=O)[O-] ZINC000659663446 485237386 /nfs/dbraw/zinc/23/73/86/485237386.db2.gz YSFYDWMJOMJDHU-CHWSQXEVSA-N -1 0 368.434 -0.134 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)NCCN1C[C@H]2CCCCN2C1=O)C(=O)[O-] ZINC000659663447 485237326 /nfs/dbraw/zinc/23/73/26/485237326.db2.gz YSFYDWMJOMJDHU-OLZOCXBDSA-N -1 0 368.434 -0.134 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCN1C[C@@H]2CCCCN2C1=O)C(=O)[O-] ZINC000659663448 485236851 /nfs/dbraw/zinc/23/68/51/485236851.db2.gz YSFYDWMJOMJDHU-QWHCGFSZSA-N -1 0 368.434 -0.134 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)NCCN1C[C@@H]2CCCCN2C1=O)C(=O)[O-] ZINC000659663449 485237399 /nfs/dbraw/zinc/23/73/99/485237399.db2.gz YSFYDWMJOMJDHU-STQMWFEESA-N -1 0 368.434 -0.134 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000659663462 485237120 /nfs/dbraw/zinc/23/71/20/485237120.db2.gz ZBCKOAKZWRFKJW-RWMBFGLXSA-N -1 0 355.435 -0.029 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000659663463 485237557 /nfs/dbraw/zinc/23/75/57/485237557.db2.gz ZBCKOAKZWRFKJW-UPJWGTAASA-N -1 0 355.435 -0.029 20 0 FBADRM NC(=O)c1csc(CNC(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)n1 ZINC000659663511 485236911 /nfs/dbraw/zinc/23/69/11/485236911.db2.gz GHHCVGRYJFRACM-SECBINFHSA-N -1 0 368.415 -0.038 20 0 FBADRM NC(=O)c1csc(CNC(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)n1 ZINC000659663512 485237024 /nfs/dbraw/zinc/23/70/24/485237024.db2.gz GHHCVGRYJFRACM-VIFPVBQESA-N -1 0 368.415 -0.038 20 0 FBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC1 ZINC000659663573 485236925 /nfs/dbraw/zinc/23/69/25/485236925.db2.gz GUMBXFJVVRZNLX-UHFFFAOYSA-N -1 0 360.432 -0.217 20 0 FBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1 ZINC000659663587 485237449 /nfs/dbraw/zinc/23/74/49/485237449.db2.gz HAIVJIXLDRCWDA-LLVKDONJSA-N -1 0 360.432 -0.217 20 0 FBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC1 ZINC000659663589 483909063 /nfs/dbraw/zinc/90/90/63/483909063.db2.gz HAIVJIXLDRCWDA-NSHDSACASA-N -1 0 360.432 -0.217 20 0 FBADRM CN(CCCNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1)S(C)(=O)=O ZINC000659663781 485236930 /nfs/dbraw/zinc/23/69/30/485236930.db2.gz MKYIPBZNVDMYIR-UHFFFAOYSA-N -1 0 363.436 -0.856 20 0 FBADRM CO[C@H](C)CNC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000659663786 485237530 /nfs/dbraw/zinc/23/75/30/485237530.db2.gz MNKZMJRYWJCPHP-GHMZBOCLSA-N -1 0 355.391 -0.938 20 0 FBADRM CO[C@H](C)CNC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000659663787 485237044 /nfs/dbraw/zinc/23/70/44/485237044.db2.gz MNKZMJRYWJCPHP-MNOVXSKESA-N -1 0 355.391 -0.938 20 0 FBADRM CO[C@@H](C)CNC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000659663788 485237037 /nfs/dbraw/zinc/23/70/37/485237037.db2.gz MNKZMJRYWJCPHP-QWRGUYRKSA-N -1 0 355.391 -0.938 20 0 FBADRM CO[C@@H](C)CNC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000659663789 485237225 /nfs/dbraw/zinc/23/72/25/485237225.db2.gz MNKZMJRYWJCPHP-WDEREUQCSA-N -1 0 355.391 -0.938 20 0 FBADRM CNC(=O)CC1(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCCCC1 ZINC000659663869 485237057 /nfs/dbraw/zinc/23/70/57/485237057.db2.gz JQCACFIQVHPJRH-GFCCVEGCSA-N -1 0 369.418 -0.499 20 0 FBADRM CNC(=O)CC1(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CCCCC1 ZINC000659663870 485237155 /nfs/dbraw/zinc/23/71/55/485237155.db2.gz JQCACFIQVHPJRH-LBPRGKRZSA-N -1 0 369.418 -0.499 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2COc3cc(F)ccc3C2)CCO1 ZINC000659663880 485237146 /nfs/dbraw/zinc/23/71/46/485237146.db2.gz JWKNDLKFRCAULJ-AAEUAGOBSA-N -1 0 352.318 -0.443 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@H]2COc3cc(F)ccc3C2)CCO1 ZINC000659663883 485236770 /nfs/dbraw/zinc/23/67/70/485236770.db2.gz JWKNDLKFRCAULJ-DGCLKSJQSA-N -1 0 352.318 -0.443 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2COc3cc(F)ccc3C2)CCO1 ZINC000659663884 485237080 /nfs/dbraw/zinc/23/70/80/485237080.db2.gz JWKNDLKFRCAULJ-WCQYABFASA-N -1 0 352.318 -0.443 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H]2COc3cc(F)ccc3C2)CCO1 ZINC000659663886 485237301 /nfs/dbraw/zinc/23/73/01/485237301.db2.gz JWKNDLKFRCAULJ-YPMHNXCESA-N -1 0 352.318 -0.443 20 0 FBADRM C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CS1(=O)=O ZINC000659664179 485237002 /nfs/dbraw/zinc/23/70/02/485237002.db2.gz MFBKBZVFBUSEOJ-GRYCIOLGSA-N -1 0 360.432 -0.218 20 0 FBADRM C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)CS1(=O)=O ZINC000659664181 485236887 /nfs/dbraw/zinc/23/68/87/485236887.db2.gz MFBKBZVFBUSEOJ-IJLUTSLNSA-N -1 0 360.432 -0.218 20 0 FBADRM C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)CS1(=O)=O ZINC000659664183 485237467 /nfs/dbraw/zinc/23/74/67/485237467.db2.gz MFBKBZVFBUSEOJ-UTUOFQBUSA-N -1 0 360.432 -0.218 20 0 FBADRM C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CS1(=O)=O ZINC000659664185 485237365 /nfs/dbraw/zinc/23/73/65/485237365.db2.gz MFBKBZVFBUSEOJ-WOPDTQHZSA-N -1 0 360.432 -0.218 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1)CC(=O)[O-] ZINC000659664331 485236936 /nfs/dbraw/zinc/23/69/36/485236936.db2.gz BAHDCUSKCHQQTM-NWDGAFQWSA-N -1 0 354.407 -0.524 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1)CC(=O)[O-] ZINC000659664332 485237164 /nfs/dbraw/zinc/23/71/64/485237164.db2.gz BAHDCUSKCHQQTM-RYUDHWBXSA-N -1 0 354.407 -0.524 20 0 FBADRM COCC(=O)N1CCN(C(=O)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1 ZINC000659664378 485237524 /nfs/dbraw/zinc/23/75/24/485237524.db2.gz BYIUVCRRJCAARK-ZDUSSCGKSA-N -1 0 371.434 -0.443 20 0 FBADRM COCCN1CCN(C(=O)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1=O ZINC000659664596 485237592 /nfs/dbraw/zinc/23/75/92/485237592.db2.gz CBXYKNDXJJTZMI-ZDUSSCGKSA-N -1 0 371.434 -0.443 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)C[C@H]1C(=O)[O-] ZINC000659664618 485237462 /nfs/dbraw/zinc/23/74/62/485237462.db2.gz MUQARHNWLAMTAT-DDHJBXDOSA-N -1 0 360.432 -0.363 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)C[C@@H]1C(=O)[O-] ZINC000659664619 485237320 /nfs/dbraw/zinc/23/73/20/485237320.db2.gz MUQARHNWLAMTAT-KKOKHZNYSA-N -1 0 360.432 -0.363 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)C[C@@H]1C(=O)[O-] ZINC000659664620 485237140 /nfs/dbraw/zinc/23/71/40/485237140.db2.gz MUQARHNWLAMTAT-KXNHARMFSA-N -1 0 360.432 -0.363 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)C[C@H]1C(=O)[O-] ZINC000659664621 485237248 /nfs/dbraw/zinc/23/72/48/485237248.db2.gz MUQARHNWLAMTAT-WRWGMCAJSA-N -1 0 360.432 -0.363 20 0 FBADRM CN(CCCNC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1)S(C)(=O)=O ZINC000659664898 485236919 /nfs/dbraw/zinc/23/69/19/485236919.db2.gz SVOUYTNBNVIRIW-UHFFFAOYSA-N -1 0 371.415 -0.601 20 0 FBADRM COC[C@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1cccc(OC)c1 ZINC000659664902 485237018 /nfs/dbraw/zinc/23/70/18/485237018.db2.gz SYSMXSZRBHTQEX-KBPBESRZSA-N -1 0 366.370 -0.189 20 0 FBADRM COC[C@@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1cccc(OC)c1 ZINC000659664904 485237536 /nfs/dbraw/zinc/23/75/36/485237536.db2.gz SYSMXSZRBHTQEX-KGLIPLIRSA-N -1 0 366.370 -0.189 20 0 FBADRM COC[C@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1cccc(OC)c1 ZINC000659664906 485236947 /nfs/dbraw/zinc/23/69/47/485236947.db2.gz SYSMXSZRBHTQEX-UONOGXRCSA-N -1 0 366.370 -0.189 20 0 FBADRM COC[C@@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1cccc(OC)c1 ZINC000659664908 485237217 /nfs/dbraw/zinc/23/72/17/485237217.db2.gz SYSMXSZRBHTQEX-ZIAGYGMSSA-N -1 0 366.370 -0.189 20 0 FBADRM CN(CCCNC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1)S(C)(=O)=O ZINC000659665536 485237392 /nfs/dbraw/zinc/23/73/92/485237392.db2.gz XDLMHDYLMQDAIW-LLVKDONJSA-N -1 0 363.436 -0.903 20 0 FBADRM CN(CCCNC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1)S(C)(=O)=O ZINC000659665537 485237334 /nfs/dbraw/zinc/23/73/34/485237334.db2.gz XDLMHDYLMQDAIW-NSHDSACASA-N -1 0 363.436 -0.903 20 0 FBADRM NC(=O)c1csc(CNC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)n1 ZINC000659665601 485236759 /nfs/dbraw/zinc/23/67/59/485236759.db2.gz RBOBPSVRXPNUKX-MRVPVSSYSA-N -1 0 354.388 -0.429 20 0 FBADRM NC(=O)c1csc(CNC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)n1 ZINC000659665603 485237357 /nfs/dbraw/zinc/23/73/57/485237357.db2.gz RBOBPSVRXPNUKX-QMMMGPOBSA-N -1 0 354.388 -0.429 20 0 FBADRM C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CS1(=O)=O ZINC000659665605 485237049 /nfs/dbraw/zinc/23/70/49/485237049.db2.gz RBXNFCWUELTOQK-GHMZBOCLSA-N -1 0 360.432 -0.218 20 0 FBADRM C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CS1(=O)=O ZINC000659665607 485236765 /nfs/dbraw/zinc/23/67/65/485236765.db2.gz RBXNFCWUELTOQK-MNOVXSKESA-N -1 0 360.432 -0.218 20 0 FBADRM C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CS1(=O)=O ZINC000659665609 485237406 /nfs/dbraw/zinc/23/74/06/485237406.db2.gz RBXNFCWUELTOQK-QWRGUYRKSA-N -1 0 360.432 -0.218 20 0 FBADRM C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CS1(=O)=O ZINC000659665611 485236796 /nfs/dbraw/zinc/23/67/96/485236796.db2.gz RBXNFCWUELTOQK-WDEREUQCSA-N -1 0 360.432 -0.218 20 0 FBADRM COc1ccnc(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1F ZINC000659665628 485237032 /nfs/dbraw/zinc/23/70/32/485237032.db2.gz RHIKJIUUEGLAOO-JDNHERCYSA-N -1 0 367.333 -0.595 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)C1 ZINC000659665672 485237282 /nfs/dbraw/zinc/23/72/82/485237282.db2.gz RWNVGUFRKYOYHF-HTQZYQBOSA-N -1 0 354.388 -0.573 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)C1 ZINC000659665675 485237887 /nfs/dbraw/zinc/23/78/87/485237887.db2.gz RWNVGUFRKYOYHF-JGVFFNPUSA-N -1 0 354.388 -0.573 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)C1 ZINC000659665679 485237799 /nfs/dbraw/zinc/23/77/99/485237799.db2.gz RWNVGUFRKYOYHF-SFYZADRCSA-N -1 0 354.388 -0.573 20 0 FBADRM O=C([O-])C1CCN(C(=O)C(=O)NCCN2C[C@H]3CCCCN3C2=O)CC1 ZINC000659665681 485236745 /nfs/dbraw/zinc/23/67/45/485236745.db2.gz VHNVEJJTVOTYDC-CYBMUJFWSA-N -1 0 366.418 -0.284 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)C1 ZINC000659665682 485237829 /nfs/dbraw/zinc/23/78/29/485237829.db2.gz RWNVGUFRKYOYHF-YUMQZZPRSA-N -1 0 354.388 -0.573 20 0 FBADRM O=C([O-])C1CCN(C(=O)C(=O)NCCN2C[C@@H]3CCCCN3C2=O)CC1 ZINC000659665683 485237480 /nfs/dbraw/zinc/23/74/80/485237480.db2.gz VHNVEJJTVOTYDC-ZDUSSCGKSA-N -1 0 366.418 -0.284 20 0 FBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)CC1 ZINC000659665691 483910852 /nfs/dbraw/zinc/91/08/52/483910852.db2.gz VJUWFXHYVXBFIY-GHMZBOCLSA-N -1 0 360.432 -0.361 20 0 FBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)CC1 ZINC000659665695 483911110 /nfs/dbraw/zinc/91/11/10/483911110.db2.gz VJUWFXHYVXBFIY-MNOVXSKESA-N -1 0 360.432 -0.361 20 0 FBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)CC1 ZINC000659665697 483910866 /nfs/dbraw/zinc/91/08/66/483910866.db2.gz VJUWFXHYVXBFIY-QWRGUYRKSA-N -1 0 360.432 -0.361 20 0 FBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)CC1 ZINC000659665698 483911106 /nfs/dbraw/zinc/91/11/06/483911106.db2.gz VJUWFXHYVXBFIY-WDEREUQCSA-N -1 0 360.432 -0.361 20 0 FBADRM CS(=O)(=O)C1(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CCCCC1 ZINC000659665705 485238351 /nfs/dbraw/zinc/23/83/51/485238351.db2.gz SHHNKCFXJJEIJT-LLVKDONJSA-N -1 0 360.432 -0.217 20 0 FBADRM CS(=O)(=O)C1(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CCCCC1 ZINC000659665706 485237893 /nfs/dbraw/zinc/23/78/93/485237893.db2.gz SHHNKCFXJJEIJT-NSHDSACASA-N -1 0 360.432 -0.217 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)CCO1 ZINC000659665708 485238289 /nfs/dbraw/zinc/23/82/89/485238289.db2.gz SJQMJNPZTIPFAV-KKUMJFAQSA-N -1 0 362.382 -0.013 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)CCO1 ZINC000659665709 485237957 /nfs/dbraw/zinc/23/79/57/485237957.db2.gz SJQMJNPZTIPFAV-SOUVJXGZSA-N -1 0 362.382 -0.013 20 0 FBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000659666055 485238051 /nfs/dbraw/zinc/23/80/51/485238051.db2.gz WURXCESFCDVNQC-GHMZBOCLSA-N -1 0 360.432 -0.361 20 0 FBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000659666057 485238348 /nfs/dbraw/zinc/23/83/48/485238348.db2.gz WURXCESFCDVNQC-MNOVXSKESA-N -1 0 360.432 -0.361 20 0 FBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000659666059 483910828 /nfs/dbraw/zinc/91/08/28/483910828.db2.gz WURXCESFCDVNQC-QWRGUYRKSA-N -1 0 360.432 -0.361 20 0 FBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000659666062 483911243 /nfs/dbraw/zinc/91/12/43/483911243.db2.gz WURXCESFCDVNQC-WDEREUQCSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)C1 ZINC000659666115 485238257 /nfs/dbraw/zinc/23/82/57/485238257.db2.gz VSEOVCTWOVIPHI-NOOOWODRSA-N -1 0 360.432 -0.363 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)C1 ZINC000659666116 485238311 /nfs/dbraw/zinc/23/83/11/485238311.db2.gz VSEOVCTWOVIPHI-RHYQMDGZSA-N -1 0 360.432 -0.363 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)C1 ZINC000659666117 485237869 /nfs/dbraw/zinc/23/78/69/485237869.db2.gz VSEOVCTWOVIPHI-WISYIIOYSA-N -1 0 360.432 -0.363 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)C1 ZINC000659666119 485238029 /nfs/dbraw/zinc/23/80/29/485238029.db2.gz VSEOVCTWOVIPHI-WYUUTHIRSA-N -1 0 360.432 -0.363 20 0 FBADRM CC(C)(C)N1C[C@@H](CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1=O ZINC000659666120 485238223 /nfs/dbraw/zinc/23/82/23/485238223.db2.gz XTLPVGAVJPFURQ-GHMZBOCLSA-N -1 0 355.391 -0.938 20 0 FBADRM CC(C)(C)N1C[C@@H](CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1=O ZINC000659666122 485238197 /nfs/dbraw/zinc/23/81/97/485238197.db2.gz XTLPVGAVJPFURQ-MNOVXSKESA-N -1 0 355.391 -0.938 20 0 FBADRM CC(C)(C)N1C[C@H](CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1=O ZINC000659666124 485238120 /nfs/dbraw/zinc/23/81/20/485238120.db2.gz XTLPVGAVJPFURQ-QWRGUYRKSA-N -1 0 355.391 -0.938 20 0 FBADRM CC(C)(C)N1C[C@H](CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1=O ZINC000659666126 485238368 /nfs/dbraw/zinc/23/83/68/485238368.db2.gz XTLPVGAVJPFURQ-WDEREUQCSA-N -1 0 355.391 -0.938 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)NCCN1C[C@@H]2CCCCN2C1=O)C(=O)[O-] ZINC000659666142 485237856 /nfs/dbraw/zinc/23/78/56/485237856.db2.gz YHUGELOZISKFEZ-NEPJUHHUSA-N -1 0 354.407 -0.428 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)NCCN1C[C@H]2CCCCN2C1=O)C(=O)[O-] ZINC000659666143 485237924 /nfs/dbraw/zinc/23/79/24/485237924.db2.gz YHUGELOZISKFEZ-NWDGAFQWSA-N -1 0 354.407 -0.428 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)NCCN1C[C@@H]2CCCCN2C1=O)C(=O)[O-] ZINC000659666144 485238067 /nfs/dbraw/zinc/23/80/67/485238067.db2.gz YHUGELOZISKFEZ-RYUDHWBXSA-N -1 0 354.407 -0.428 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)NCCN1C[C@H]2CCCCN2C1=O)C(=O)[O-] ZINC000659666145 485238212 /nfs/dbraw/zinc/23/82/12/485238212.db2.gz YHUGELOZISKFEZ-VXGBXAGGSA-N -1 0 354.407 -0.428 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)CC(=O)[O-] ZINC000659666351 485238019 /nfs/dbraw/zinc/23/80/19/485238019.db2.gz LIUARFBPRFZNOR-QWRGUYRKSA-N -1 0 363.436 -0.871 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)CC(=O)[O-] ZINC000659666353 485238035 /nfs/dbraw/zinc/23/80/35/485238035.db2.gz LIUARFBPRFZNOR-WDEREUQCSA-N -1 0 363.436 -0.871 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1)CC(=O)[O-] ZINC000659666645 485238207 /nfs/dbraw/zinc/23/82/07/485238207.db2.gz SAKIMMAFHPIFHY-KBPBESRZSA-N -1 0 355.435 -0.217 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCN2CCOC[C@H]2C1)CC(=O)[O-] ZINC000659666646 485238246 /nfs/dbraw/zinc/23/82/46/485238246.db2.gz SAKIMMAFHPIFHY-UONOGXRCSA-N -1 0 355.435 -0.217 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CCO1 ZINC000659666652 485238013 /nfs/dbraw/zinc/23/80/13/485238013.db2.gz SEKBPCHURZFSSB-KBPBESRZSA-N -1 0 371.434 -0.397 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CCO1 ZINC000659666653 485237805 /nfs/dbraw/zinc/23/78/05/485237805.db2.gz SEKBPCHURZFSSB-UONOGXRCSA-N -1 0 371.434 -0.397 20 0 FBADRM CN1CCC2(CCN(C(=O)C(=O)NCC3(C(=O)[O-])CCC3)CC2)C1=O ZINC000659666758 485238025 /nfs/dbraw/zinc/23/80/25/485238025.db2.gz ARHGJHOPXQMBRH-UHFFFAOYSA-N -1 0 351.403 -0.172 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)CCC1 ZINC000659666791 485237919 /nfs/dbraw/zinc/23/79/19/485237919.db2.gz BHVCCGAKJZBIQT-UHFFFAOYSA-N -1 0 374.397 -0.263 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCC[C@@H](N3CCCC3=O)C2)CCC1 ZINC000659666793 485237810 /nfs/dbraw/zinc/23/78/10/485237810.db2.gz BNMZFQGMLWCHIL-GFCCVEGCSA-N -1 0 351.403 -0.029 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCC[C@H](N3CCCC3=O)C2)CCC1 ZINC000659666794 485237941 /nfs/dbraw/zinc/23/79/41/485237941.db2.gz BNMZFQGMLWCHIL-LBPRGKRZSA-N -1 0 351.403 -0.029 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CCN1CC(C)(C)O ZINC000659666908 485238249 /nfs/dbraw/zinc/23/82/49/485238249.db2.gz CUTATAWTWRKMGM-GFCCVEGCSA-N -1 0 355.435 -0.339 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CCN1CC(C)(C)O ZINC000659666910 485238172 /nfs/dbraw/zinc/23/81/72/485238172.db2.gz CUTATAWTWRKMGM-LBPRGKRZSA-N -1 0 355.435 -0.339 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@H](S(C)(=O)=O)C1)CC(=O)[O-] ZINC000659667124 485238261 /nfs/dbraw/zinc/23/82/61/485238261.db2.gz DEKLLAVJRLMFLT-NWDGAFQWSA-N -1 0 362.448 -0.115 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H](S(C)(=O)=O)C1)CC(=O)[O-] ZINC000659667125 483911862 /nfs/dbraw/zinc/91/18/62/483911862.db2.gz DEKLLAVJRLMFLT-RYUDHWBXSA-N -1 0 362.448 -0.115 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N(C)CC(=O)N1CCOCC1)CC(=O)[O-] ZINC000659667396 485237833 /nfs/dbraw/zinc/23/78/33/485237833.db2.gz KTAIHIPUNMUSBM-ZDUSSCGKSA-N -1 0 371.434 -0.443 20 0 FBADRM CCCN(C(=O)C(=O)NCC1(C(=O)[O-])CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000659667402 485238372 /nfs/dbraw/zinc/23/83/72/485238372.db2.gz JYJKONTVKPDUDQ-LLVKDONJSA-N -1 0 360.432 -0.217 20 0 FBADRM CCCN(C(=O)C(=O)NCC1(C(=O)[O-])CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000659667403 485238167 /nfs/dbraw/zinc/23/81/67/485238167.db2.gz JYJKONTVKPDUDQ-NSHDSACASA-N -1 0 360.432 -0.217 20 0 FBADRM C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659667448 485238054 /nfs/dbraw/zinc/23/80/54/485238054.db2.gz KZDUUEHSIJXKGZ-GFCCVEGCSA-N -1 0 355.435 -0.339 20 0 FBADRM C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659667449 485237875 /nfs/dbraw/zinc/23/78/75/485237875.db2.gz KZDUUEHSIJXKGZ-LBPRGKRZSA-N -1 0 355.435 -0.339 20 0 FBADRM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659667468 485237843 /nfs/dbraw/zinc/23/78/43/485237843.db2.gz LHSJZEKXOFYQQH-CHWSQXEVSA-N -1 0 372.418 -0.770 20 0 FBADRM COCCO[C@H]1C[C@@H](CO)CN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659667469 485238203 /nfs/dbraw/zinc/23/82/03/485238203.db2.gz LHSJZEKXOFYQQH-OLZOCXBDSA-N -1 0 372.418 -0.770 20 0 FBADRM COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659667470 485238094 /nfs/dbraw/zinc/23/80/94/485238094.db2.gz LHSJZEKXOFYQQH-QWHCGFSZSA-N -1 0 372.418 -0.770 20 0 FBADRM COCCO[C@H]1C[C@H](CO)CN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659667471 485238243 /nfs/dbraw/zinc/23/82/43/485238243.db2.gz LHSJZEKXOFYQQH-STQMWFEESA-N -1 0 372.418 -0.770 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCC(N3CCCC3=O)CC2)CCC1 ZINC000659667558 485238007 /nfs/dbraw/zinc/23/80/07/485238007.db2.gz AOTSCYOQDCPXKY-UHFFFAOYSA-N -1 0 351.403 -0.029 20 0 FBADRM Cn1cc([C@@H]2CN(C(=O)C(=O)NCC3(C(=O)[O-])CCC3)C[C@H]2CO)cn1 ZINC000659667564 485237969 /nfs/dbraw/zinc/23/79/69/485237969.db2.gz AUTSFAFARANRLL-STQMWFEESA-N -1 0 364.402 -0.675 20 0 FBADRM Nc1nsc(N2CCN(C(=O)C(=O)NCC3(C(=O)[O-])CCC3)CC2)n1 ZINC000659667695 485238075 /nfs/dbraw/zinc/23/80/75/485238075.db2.gz CUSVWHDGLWZRDM-UHFFFAOYSA-N -1 0 368.419 -0.860 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1)CC(=O)[O-] ZINC000659667886 485238265 /nfs/dbraw/zinc/23/82/65/485238265.db2.gz NYVFELHAJXAEHG-AVGNSLFASA-N -1 0 369.418 -0.645 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N(C)CCNC(=O)N(C)C)CC(=O)[O-] ZINC000659667924 485237802 /nfs/dbraw/zinc/23/78/02/485237802.db2.gz OLLUMHNCNDTXIP-LBPRGKRZSA-N -1 0 358.439 -0.031 20 0 FBADRM CS(=O)(=O)[C@@H]1CCCCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659668094 485237912 /nfs/dbraw/zinc/23/79/12/485237912.db2.gz SSAJMWHRXCOHDY-LLVKDONJSA-N -1 0 360.432 -0.217 20 0 FBADRM CS(=O)(=O)[C@H]1CCCCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659668095 485237789 /nfs/dbraw/zinc/23/77/89/485237789.db2.gz SSAJMWHRXCOHDY-NSHDSACASA-N -1 0 360.432 -0.217 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@]2(CNC(=O)C2)C1)CC(=O)[O-] ZINC000659668110 485238154 /nfs/dbraw/zinc/23/81/54/485238154.db2.gz PYDJBZKQDDAUOX-SJCJKPOMSA-N -1 0 353.419 -0.022 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@]2(CNC(=O)C2)C1)CC(=O)[O-] ZINC000659668111 485237931 /nfs/dbraw/zinc/23/79/31/485237931.db2.gz PYDJBZKQDDAUOX-YVEFUNNKSA-N -1 0 353.419 -0.022 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCC(N3CCCNC3=O)CC2)CCC1 ZINC000659668162 485238157 /nfs/dbraw/zinc/23/81/57/485238157.db2.gz HXFFNMYTVFJIQC-UHFFFAOYSA-N -1 0 366.418 -0.236 20 0 FBADRM Cc1nccnc1N1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000659668165 485238337 /nfs/dbraw/zinc/23/83/37/485238337.db2.gz HXQZWSGHNBNPSB-UHFFFAOYSA-N -1 0 361.402 -0.195 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)CCC1 ZINC000659668294 485238125 /nfs/dbraw/zinc/23/81/25/485238125.db2.gz VZPFQQCDYNYXRL-UHFFFAOYSA-N -1 0 351.281 -0.452 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCCN(C(=O)C3CC3)CC2)CCC1 ZINC000659668327 485237897 /nfs/dbraw/zinc/23/78/97/485237897.db2.gz WQGKGEROUNVWKH-UHFFFAOYSA-N -1 0 351.403 -0.172 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)CCC1 ZINC000659668576 485238073 /nfs/dbraw/zinc/23/80/73/485238073.db2.gz YXKVAEBUQBOIIW-UHFFFAOYSA-N -1 0 366.418 -0.283 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CCO1 ZINC000659668690 485238217 /nfs/dbraw/zinc/23/82/17/485238217.db2.gz UFGPHJHYOQYLTH-NWDGAFQWSA-N -1 0 357.407 -0.787 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CCO1 ZINC000659668691 485238328 /nfs/dbraw/zinc/23/83/28/485238328.db2.gz UFGPHJHYOQYLTH-RYUDHWBXSA-N -1 0 357.407 -0.787 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)CCC1 ZINC000659668815 485238089 /nfs/dbraw/zinc/23/80/89/485238089.db2.gz NFOAANOZGYBSPT-UHFFFAOYSA-N -1 0 363.370 -0.065 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21)CC(=O)[O-] ZINC000659668832 485238958 /nfs/dbraw/zinc/23/89/58/485238958.db2.gz VEFALXINKKBTOQ-YNEHKIRRSA-N -1 0 353.419 -0.023 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2cccc3c2OC(F)(F)O3)CCO1 ZINC000659669474 485238736 /nfs/dbraw/zinc/23/87/36/485238736.db2.gz IEJPKHZMQANKAL-JTQLQIEISA-N -1 0 372.280 -0.064 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2cccc3c2OC(F)(F)O3)CCO1 ZINC000659669475 485238711 /nfs/dbraw/zinc/23/87/11/485238711.db2.gz IEJPKHZMQANKAL-SNVBAGLBSA-N -1 0 372.280 -0.064 20 0 FBADRM CC(C)OCCN1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000659669546 485239246 /nfs/dbraw/zinc/23/92/46/485239246.db2.gz TVMQXDQEXHRERB-UHFFFAOYSA-N -1 0 355.435 -0.073 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCC(NC(=O)C3CC3)CC2)CCC1 ZINC000659669576 485238867 /nfs/dbraw/zinc/23/88/67/485238867.db2.gz UTYZUCXTTWYYAY-UHFFFAOYSA-N -1 0 351.403 -0.125 20 0 FBADRM COCC(C)(C)N1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000659669591 483911747 /nfs/dbraw/zinc/91/17/47/483911747.db2.gz AAMWJRMYGBCDOF-UHFFFAOYSA-N -1 0 355.435 -0.073 20 0 FBADRM COCCN(Cc1ccnn1C)C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659669609 485239332 /nfs/dbraw/zinc/23/93/32/485239332.db2.gz AQTZUJDNLWTMTR-UHFFFAOYSA-N -1 0 352.391 -0.234 20 0 FBADRM CNC(=O)CCOC1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000659669672 485238948 /nfs/dbraw/zinc/23/89/48/485238948.db2.gz CCGJWVNURCYYIS-UHFFFAOYSA-N -1 0 369.418 -0.499 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCc2nnnn2-c2ccccc2)CCC1 ZINC000659669705 485238905 /nfs/dbraw/zinc/23/89/05/485238905.db2.gz DALPRORZPKPRHV-UHFFFAOYSA-N -1 0 358.358 -0.350 20 0 FBADRM CCN(CC)C(=O)N1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000659669783 485239195 /nfs/dbraw/zinc/23/91/95/485239195.db2.gz KCHKBYICWMAVMR-UHFFFAOYSA-N -1 0 368.434 -0.037 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CCC1 ZINC000659669993 485238673 /nfs/dbraw/zinc/23/86/73/485238673.db2.gz GWBKSLMOQILQQC-GFCCVEGCSA-N -1 0 367.402 -0.793 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CCC1 ZINC000659669994 485238972 /nfs/dbraw/zinc/23/89/72/485238972.db2.gz GWBKSLMOQILQQC-LBPRGKRZSA-N -1 0 367.402 -0.793 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)CCC1 ZINC000659670126 485239201 /nfs/dbraw/zinc/23/92/01/485239201.db2.gz HVCHYBBMVJZZLL-NEPJUHHUSA-N -1 0 351.403 -0.125 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)CCC1 ZINC000659670127 485239234 /nfs/dbraw/zinc/23/92/34/485239234.db2.gz HVCHYBBMVJZZLL-NWDGAFQWSA-N -1 0 351.403 -0.125 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)CCC1 ZINC000659670128 485239207 /nfs/dbraw/zinc/23/92/07/485239207.db2.gz HVCHYBBMVJZZLL-RYUDHWBXSA-N -1 0 351.403 -0.125 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)CCC1 ZINC000659670129 485238988 /nfs/dbraw/zinc/23/89/88/485238988.db2.gz HVCHYBBMVJZZLL-VXGBXAGGSA-N -1 0 351.403 -0.125 20 0 FBADRM Cn1nccc1[C@H]1COCCN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659670223 485238908 /nfs/dbraw/zinc/23/89/08/485238908.db2.gz JOFVYVWKGNBSLS-GFCCVEGCSA-N -1 0 350.375 -0.309 20 0 FBADRM Cn1nccc1[C@@H]1COCCN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659670225 485238923 /nfs/dbraw/zinc/23/89/23/485238923.db2.gz JOFVYVWKGNBSLS-LBPRGKRZSA-N -1 0 350.375 -0.309 20 0 FBADRM COCCNC(=O)C1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000659670514 485238688 /nfs/dbraw/zinc/23/86/88/485238688.db2.gz LXTKMJJIIHLFCQ-UHFFFAOYSA-N -1 0 369.418 -0.641 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)CCC1 ZINC000659670856 485239220 /nfs/dbraw/zinc/23/92/20/485239220.db2.gz PLDHMZCUEGIWHT-UHFFFAOYSA-N -1 0 365.365 -0.365 20 0 FBADRM Cc1nccc(N2CCN(C(=O)C(=O)NCC3(C(=O)[O-])CCC3)CC2)n1 ZINC000659670859 485239187 /nfs/dbraw/zinc/23/91/87/485239187.db2.gz PRUKMWDVRHTTET-UHFFFAOYSA-N -1 0 361.402 -0.195 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)CCC1 ZINC000659670879 485238954 /nfs/dbraw/zinc/23/89/54/485238954.db2.gz QHCCIZPKRGBJDV-LLVKDONJSA-N -1 0 352.391 -0.580 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CCC1 ZINC000659670880 485238804 /nfs/dbraw/zinc/23/88/04/485238804.db2.gz QHCCIZPKRGBJDV-NSHDSACASA-N -1 0 352.391 -0.580 20 0 FBADRM C[C@@H]1CN(CCN(C)C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C[C@H](C)O1 ZINC000659671347 485238787 /nfs/dbraw/zinc/23/87/87/485238787.db2.gz XWTDZUVRBBGZNC-BETUJISGSA-N -1 0 355.435 -0.075 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1=O ZINC000659671388 485238885 /nfs/dbraw/zinc/23/88/85/485238885.db2.gz YYEMHTVZVVZUGA-UHFFFAOYSA-N -1 0 355.391 -0.935 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCn3c(CC4CC4)nnc3C2)CCC1 ZINC000659671390 485239138 /nfs/dbraw/zinc/23/91/38/485239138.db2.gz ZCMBPKURGDXQFE-UHFFFAOYSA-N -1 0 361.402 -0.056 20 0 FBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659671919 485239311 /nfs/dbraw/zinc/23/93/11/485239311.db2.gz NSCNEOLTIQKDJS-LLVKDONJSA-N -1 0 354.407 -0.428 20 0 FBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659671920 485238707 /nfs/dbraw/zinc/23/87/07/485238707.db2.gz NSCNEOLTIQKDJS-NSHDSACASA-N -1 0 354.407 -0.428 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC[C@H](CN3CCCC3=O)C2)CCC1 ZINC000659672084 485239225 /nfs/dbraw/zinc/23/92/25/485239225.db2.gz PUDOCQMBYRDAPG-GFCCVEGCSA-N -1 0 351.403 -0.172 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CC[C@@H](CN3CCCC3=O)C2)CCC1 ZINC000659672085 485239006 /nfs/dbraw/zinc/23/90/06/485239006.db2.gz PUDOCQMBYRDAPG-LBPRGKRZSA-N -1 0 351.403 -0.172 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N(CCN2CCOCC2)CC2CC2)CCC1 ZINC000659672752 485239240 /nfs/dbraw/zinc/23/92/40/485239240.db2.gz YSKHNBYCBDBGMC-UHFFFAOYSA-N -1 0 367.446 -0.072 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000659753940 485265802 /nfs/dbraw/zinc/26/58/02/485265802.db2.gz LVFASIOTSQFYFP-UHFFFAOYSA-N -1 0 371.415 -0.286 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659754891 485265505 /nfs/dbraw/zinc/26/55/05/485265505.db2.gz BWBVJSWYTBHMIE-CYBMUJFWSA-N -1 0 363.370 -0.383 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659754894 485265614 /nfs/dbraw/zinc/26/56/14/485265614.db2.gz BWBVJSWYTBHMIE-ZDUSSCGKSA-N -1 0 363.370 -0.383 20 0 FBADRM Cn1ccc(=O)n(CCCNC(=O)c2cccc(OCC(=O)[O-])c2)c1=O ZINC000659759515 485265956 /nfs/dbraw/zinc/26/59/56/485265956.db2.gz CKOFMUQVSKRMPC-UHFFFAOYSA-N -1 0 361.354 -0.170 20 0 FBADRM Cn1ccc(=O)n(CCCNC(=O)c2ccc(OCC(=O)[O-])cc2)c1=O ZINC000659760384 485265946 /nfs/dbraw/zinc/26/59/46/485265946.db2.gz MWPVZAAMDKIRDR-UHFFFAOYSA-N -1 0 361.354 -0.170 20 0 FBADRM CC(=O)NCCN(C(=O)CC1(n2cnnn2)CCOCC1)[C@H](C)C(=O)[O-] ZINC000659761378 485265710 /nfs/dbraw/zinc/26/57/10/485265710.db2.gz HSBAKEIKEUZFGA-LLVKDONJSA-N -1 0 368.394 -0.993 20 0 FBADRM CC(=O)NCCN(C(=O)CC1(n2cnnn2)CCOCC1)[C@@H](C)C(=O)[O-] ZINC000659761379 485265941 /nfs/dbraw/zinc/26/59/41/485265941.db2.gz HSBAKEIKEUZFGA-NSHDSACASA-N -1 0 368.394 -0.993 20 0 FBADRM C[C@@](O)(CNC(=O)c1cc(Br)ccc1-n1cnnn1)C(=O)[O-] ZINC000659765303 485265432 /nfs/dbraw/zinc/26/54/32/485265432.db2.gz ISYNYQFCPZZFJH-GFCCVEGCSA-N -1 0 370.163 -0.010 20 0 FBADRM C[C@](O)(CNC(=O)c1cc(Br)ccc1-n1cnnn1)C(=O)[O-] ZINC000659765304 485265849 /nfs/dbraw/zinc/26/58/49/485265849.db2.gz ISYNYQFCPZZFJH-LBPRGKRZSA-N -1 0 370.163 -0.010 20 0 FBADRM O=C([O-])c1ccnc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 ZINC000659768805 485265997 /nfs/dbraw/zinc/26/59/97/485265997.db2.gz MYYCMAIOBUDWSC-GHMZBOCLSA-N -1 0 367.383 -0.246 20 0 FBADRM O=C([O-])c1ccnc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 ZINC000659768806 485265533 /nfs/dbraw/zinc/26/55/33/485265533.db2.gz MYYCMAIOBUDWSC-MNOVXSKESA-N -1 0 367.383 -0.246 20 0 FBADRM O=C([O-])c1ccnc(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 ZINC000659768807 485265446 /nfs/dbraw/zinc/26/54/46/485265446.db2.gz MYYCMAIOBUDWSC-QWRGUYRKSA-N -1 0 367.383 -0.246 20 0 FBADRM O=C([O-])c1ccnc(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 ZINC000659768808 485265698 /nfs/dbraw/zinc/26/56/98/485265698.db2.gz MYYCMAIOBUDWSC-WDEREUQCSA-N -1 0 367.383 -0.246 20 0 FBADRM Cn1c2ncn(CCC(=O)Nc3cc(C(=O)[O-])ccn3)c2c(=O)n(C)c1=O ZINC000659768899 485265390 /nfs/dbraw/zinc/26/53/90/485265390.db2.gz PHPVDXWJFYOMBX-UHFFFAOYSA-N -1 0 372.341 -0.444 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000659773633 485265785 /nfs/dbraw/zinc/26/57/85/485265785.db2.gz CWRALYBEVLBPIQ-UHFFFAOYSA-N -1 0 358.420 -0.198 20 0 FBADRM CCN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H](C)C(=O)[O-] ZINC000659774611 485265572 /nfs/dbraw/zinc/26/55/72/485265572.db2.gz FTMGJLNPQULETD-SECBINFHSA-N -1 0 351.363 -0.855 20 0 FBADRM CCN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H](C)C(=O)[O-] ZINC000659774613 485265563 /nfs/dbraw/zinc/26/55/63/485265563.db2.gz FTMGJLNPQULETD-VIFPVBQESA-N -1 0 351.363 -0.855 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N2CCC(CCC(=O)[O-])CC2)cn1 ZINC000659775630 485265724 /nfs/dbraw/zinc/26/57/24/485265724.db2.gz YZZZUALTALOKPJ-UHFFFAOYSA-N -1 0 358.420 -0.198 20 0 FBADRM CNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000659776534 485265933 /nfs/dbraw/zinc/26/59/33/485265933.db2.gz KMRLLXZKSSIBMA-IAQYHMDHSA-N -1 0 354.384 -0.232 20 0 FBADRM CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)[C@H](C)C(=O)[O-] ZINC000659777160 485265953 /nfs/dbraw/zinc/26/59/53/485265953.db2.gz VFJSNKURJYJOED-LLVKDONJSA-N -1 0 373.431 -0.019 20 0 FBADRM CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)[C@@H](C)C(=O)[O-] ZINC000659777162 485265676 /nfs/dbraw/zinc/26/56/76/485265676.db2.gz VFJSNKURJYJOED-NSHDSACASA-N -1 0 373.431 -0.019 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CN1C(=O)[C@@H]3CCCC[C@H]3C1=O)C2 ZINC000659777437 485265872 /nfs/dbraw/zinc/26/58/72/485265872.db2.gz XOHGHPHULKYMIP-BDBYMAIGSA-N -1 0 350.371 -0.279 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CN1C(=O)[C@H]3CCCC[C@@H]3C1=O)C2 ZINC000659777438 485265899 /nfs/dbraw/zinc/26/58/99/485265899.db2.gz XOHGHPHULKYMIP-XSLLRJJBSA-N -1 0 350.371 -0.279 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CN1C(=O)[C@@H]3CCCC[C@@H]3C1=O)C2 ZINC000659777439 485265919 /nfs/dbraw/zinc/26/59/19/485265919.db2.gz XOHGHPHULKYMIP-YXPOGWMNSA-N -1 0 350.371 -0.279 20 0 FBADRM CC1(C)NC(=O)N(CCCC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1=O ZINC000659777458 485265482 /nfs/dbraw/zinc/26/54/82/485265482.db2.gz AKVLMCKUISMSNR-QLJPJBMISA-N -1 0 353.375 -0.343 20 0 FBADRM NS(=O)(=O)c1ccc(CCC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC000659777473 485265668 /nfs/dbraw/zinc/26/56/68/485265668.db2.gz BAGRAHASNGWLED-MLGOLLRUSA-N -1 0 368.411 -0.174 20 0 FBADRM COc1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ccc1OCC(N)=O ZINC000659777483 485265634 /nfs/dbraw/zinc/26/56/34/485265634.db2.gz BLBOFRTVFHUZDL-PIGZYNQJSA-N -1 0 364.354 -0.268 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CCN1C(=O)NC3(CCCC3)C1=O)C2 ZINC000659777504 485265509 /nfs/dbraw/zinc/26/55/09/485265509.db2.gz BNNMDPANHQVBRR-BDJLRTHQSA-N -1 0 365.386 -0.199 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659777545 485265902 /nfs/dbraw/zinc/26/59/02/485265902.db2.gz CQFVUGUXCIFYLF-MEBBXXQBSA-N -1 0 354.384 -0.184 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CCNS(=O)(=O)c1ccccc1)C2 ZINC000659777761 485267090 /nfs/dbraw/zinc/26/70/90/485267090.db2.gz GSWJFAWGEJDVMW-MLGOLLRUSA-N -1 0 368.411 -0.085 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CCn1nnc3ccccc3c1=O)C2 ZINC000659777801 485266875 /nfs/dbraw/zinc/26/68/75/485266875.db2.gz IUERUXHYCUFYTJ-PIGZYNQJSA-N -1 0 358.354 -0.259 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1ccc(CN3C(=O)CNC3=O)cc1)C2 ZINC000659777822 485266825 /nfs/dbraw/zinc/26/68/25/485266825.db2.gz JQDVCMMOSBCJFS-FZKQIMNGSA-N -1 0 373.365 -0.088 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659777836 485266562 /nfs/dbraw/zinc/26/65/62/485266562.db2.gz KEWAVPLKOYGRIZ-HWWQOWPSSA-N -1 0 368.411 -0.087 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659777837 485266866 /nfs/dbraw/zinc/26/68/66/485266866.db2.gz KEWAVPLKOYGRIZ-XHBSWPGZSA-N -1 0 368.411 -0.087 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CN1C(=O)NC3(CCCC3)C1=O)C2 ZINC000659777862 485266908 /nfs/dbraw/zinc/26/69/08/485266908.db2.gz LBGWDWFNEUOLCQ-MEBBXXQBSA-N -1 0 351.359 -0.589 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000659777887 485266326 /nfs/dbraw/zinc/26/63/26/485266326.db2.gz MJZIWJXUJLRNDV-IUODEOHRSA-N -1 0 360.432 -0.392 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC000659777944 485267021 /nfs/dbraw/zinc/26/70/21/485267021.db2.gz OWAVBVOHTKPGFT-IAQYHMDHSA-N -1 0 354.384 -0.232 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659777951 485266972 /nfs/dbraw/zinc/26/69/72/485266972.db2.gz PDLQNRRRFYJSJY-RFAUZJTJSA-N -1 0 370.383 -0.484 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1=O ZINC000659777970 485266878 /nfs/dbraw/zinc/26/68/78/485266878.db2.gz PLZFGIIGGSFTSE-MEBBXXQBSA-N -1 0 353.375 -0.343 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)Cn1c(=O)[nH]c(=O)c3ccccc31)C2 ZINC000659778018 485267006 /nfs/dbraw/zinc/26/70/06/485267006.db2.gz SAILEPONEYDAQV-BMLIUANNSA-N -1 0 359.338 -0.338 20 0 FBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659778047 485266577 /nfs/dbraw/zinc/26/65/77/485266577.db2.gz SNUHPHHAPIZDTJ-QLJPJBMISA-N -1 0 360.374 -0.575 20 0 FBADRM CN(CC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)S(=O)(=O)c1cccnc1 ZINC000659778048 485266876 /nfs/dbraw/zinc/26/68/76/485266876.db2.gz AFGVKBXRKDAYBZ-IAQYHMDHSA-N -1 0 369.399 -0.738 20 0 FBADRM Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659778066 485266867 /nfs/dbraw/zinc/26/68/67/485266867.db2.gz SRAUTCULUMYDQT-PIGZYNQJSA-N -1 0 374.401 -0.184 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CCCS(=O)(=O)N1CCCC1)C2 ZINC000659778095 485266961 /nfs/dbraw/zinc/26/69/61/485266961.db2.gz ACUFXKWPTSEQEI-IUODEOHRSA-N -1 0 360.432 -0.248 20 0 FBADRM CCn1c2ccc(C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)cc2[nH]c(=O)c1=O ZINC000659778265 485266966 /nfs/dbraw/zinc/26/69/66/485266966.db2.gz VDHYSTLERWCDPO-ADLMAVQZSA-N -1 0 373.365 -0.117 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1=O ZINC000659778292 485266903 /nfs/dbraw/zinc/26/69/03/485266903.db2.gz VSIMAWIUDYEPCG-HPEXNQPKSA-N -1 0 351.359 -0.734 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1=O ZINC000659778295 485266976 /nfs/dbraw/zinc/26/69/76/485266976.db2.gz VSIMAWIUDYEPCG-UHNFBRDESA-N -1 0 351.359 -0.734 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CN1C(=O)NC3(CCCCC3)C1=O)C2 ZINC000659778299 485266451 /nfs/dbraw/zinc/26/64/51/485266451.db2.gz VTHCWWUKVYNYBE-BDJLRTHQSA-N -1 0 365.386 -0.199 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C2 ZINC000659778404 485266366 /nfs/dbraw/zinc/26/63/66/485266366.db2.gz IQGNZXKCQNHTOD-IGJMFERPSA-N -1 0 350.293 -0.043 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C2 ZINC000659778469 485266720 /nfs/dbraw/zinc/26/67/20/485266720.db2.gz IQGNZXKCQNHTOD-JRKPZEMJSA-N -1 0 350.293 -0.043 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000659778556 485266314 /nfs/dbraw/zinc/26/63/14/485266314.db2.gz LGVNFISTGOQRNU-LALPHHSUSA-N -1 0 360.432 -0.392 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000659778557 485266864 /nfs/dbraw/zinc/26/68/64/485266864.db2.gz LGVNFISTGOQRNU-YWPYICTPSA-N -1 0 360.432 -0.392 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CNS(=O)(=O)c1cccs1)C2 ZINC000659778591 485145016 /nfs/dbraw/zinc/14/50/16/485145016.db2.gz NBVQIFMMYJSYAA-NOZJJQNGSA-N -1 0 360.413 -0.414 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CCNS(=O)(=O)c1cccnc1)C2 ZINC000659778617 485266964 /nfs/dbraw/zinc/26/69/64/485266964.db2.gz OIDOYTAATSWROV-IAQYHMDHSA-N -1 0 369.399 -0.690 20 0 FBADRM CN(CC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)S(=O)(=O)c1ccccc1 ZINC000659778638 485267009 /nfs/dbraw/zinc/26/70/09/485267009.db2.gz PIPQXDOWYNZZEX-MLGOLLRUSA-N -1 0 368.411 -0.133 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000659778639 485266768 /nfs/dbraw/zinc/26/67/68/485266768.db2.gz PLCTUHIZQSMJRZ-YMTOWFKASA-N -1 0 357.388 -0.562 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccn3)C1)C2 ZINC000659778687 485266774 /nfs/dbraw/zinc/26/67/74/485266774.db2.gz REULJGOCYYXYDY-SNUQEOBHSA-N -1 0 359.382 -0.010 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@H]1CC(=O)N(Cc3ccccn3)C1)C2 ZINC000659778688 485266617 /nfs/dbraw/zinc/26/66/17/485266617.db2.gz REULJGOCYYXYDY-VEVIJQCQSA-N -1 0 359.382 -0.010 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)Cn1c(=O)[nH]c3ccccc3c1=O)C2 ZINC000659778725 485266332 /nfs/dbraw/zinc/26/63/32/485266332.db2.gz SLZXEBKGDHFTNJ-BMLIUANNSA-N -1 0 359.338 -0.338 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)o1 ZINC000659778787 485267099 /nfs/dbraw/zinc/26/70/99/485267099.db2.gz WAOIAGNFNJJAME-YMTOWFKASA-N -1 0 358.372 -0.297 20 0 FBADRM C[C@]1(c2ccc(C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)cc2)NC(=O)NC1=O ZINC000659778854 485266911 /nfs/dbraw/zinc/26/69/11/485266911.db2.gz ZCLOMIBRQUAJAO-NXOUGTEYSA-N -1 0 373.365 -0.086 20 0 FBADRM C[C@@]1(c2ccc(C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)cc2)NC(=O)NC1=O ZINC000659778855 485266860 /nfs/dbraw/zinc/26/68/60/485266860.db2.gz ZCLOMIBRQUAJAO-OCBCSQNSSA-N -1 0 373.365 -0.086 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659778867 485266491 /nfs/dbraw/zinc/26/64/91/485266491.db2.gz ZOCAOIMFUAUMPI-GPCCPHFNSA-N -1 0 374.440 -0.026 20 0 FBADRM C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659778868 485266502 /nfs/dbraw/zinc/26/65/02/485266502.db2.gz ZOCAOIMFUAUMPI-IMSIIYSGSA-N -1 0 374.440 -0.026 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@H]1COCC(=O)N1Cc1ccccc1)C2 ZINC000659779154 485266894 /nfs/dbraw/zinc/26/68/94/485266894.db2.gz IEBMNWNWWWRWGY-SPYBWZPUSA-N -1 0 374.393 -0.026 20 0 FBADRM Cc1c(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cccc1S(N)(=O)=O ZINC000659779446 485266829 /nfs/dbraw/zinc/26/68/29/485266829.db2.gz BWRSGLLQYOKHGR-MEBBXXQBSA-N -1 0 354.384 -0.184 20 0 FBADRM COc1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1-n1cnnn1 ZINC000659779510 485266869 /nfs/dbraw/zinc/26/68/69/485266869.db2.gz DIMDFTSQKUFYBQ-BDJLRTHQSA-N -1 0 359.342 -0.156 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC000659779520 485267084 /nfs/dbraw/zinc/26/70/84/485267084.db2.gz DKOGWQYSNCVYRF-QMTHXVAHSA-N -1 0 355.372 -0.837 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CN1CCN(c3ccccn3)CC1)C2 ZINC000659779693 485266957 /nfs/dbraw/zinc/26/69/57/485266957.db2.gz LWIPHPVOGGLLQF-RDTXWAMCSA-N -1 0 360.414 -0.237 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c(C)o1 ZINC000659779723 485266925 /nfs/dbraw/zinc/26/69/25/485266925.db2.gz FQRIVQFLLSFTSF-YMTOWFKASA-N -1 0 358.372 -0.331 20 0 FBADRM C[C@H](C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)N1C(=O)NC2(CCCC2)C1=O ZINC000659779783 485266709 /nfs/dbraw/zinc/26/67/09/485266709.db2.gz ROLBBWVTNMXZTN-GLKRBJQHSA-N -1 0 365.386 -0.201 20 0 FBADRM C[C@@H](C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)N1C(=O)NC2(CCCC2)C1=O ZINC000659779785 485266935 /nfs/dbraw/zinc/26/69/35/485266935.db2.gz ROLBBWVTNMXZTN-LYOVBCGYSA-N -1 0 365.386 -0.201 20 0 FBADRM NS(=O)(=O)Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC000659779837 485145063 /nfs/dbraw/zinc/14/50/63/485145063.db2.gz SSVCDCCLLMMJRJ-IUODEOHRSA-N -1 0 354.384 -0.352 20 0 FBADRM CC(C)[C@H](C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)N1CCCS1(=O)=O ZINC000659780095 485266834 /nfs/dbraw/zinc/26/68/34/485266834.db2.gz JLDFVOSDJIMSGJ-LALPHHSUSA-N -1 0 360.432 -0.394 20 0 FBADRM CC(C)[C@@H](C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)N1CCCS1(=O)=O ZINC000659780097 485266820 /nfs/dbraw/zinc/26/68/20/485266820.db2.gz JLDFVOSDJIMSGJ-TYNCELHUSA-N -1 0 360.432 -0.394 20 0 FBADRM NS(=O)(=O)Cc1cccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000659780212 485267079 /nfs/dbraw/zinc/26/70/79/485267079.db2.gz WYZPWQSIOQGJNV-IUODEOHRSA-N -1 0 354.384 -0.352 20 0 FBADRM CS(=O)(=O)NCc1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)o1 ZINC000659780468 485266728 /nfs/dbraw/zinc/26/67/28/485266728.db2.gz NMEYCOQPNSPHFC-YMTOWFKASA-N -1 0 358.372 -0.498 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000659780473 485266955 /nfs/dbraw/zinc/26/69/55/485266955.db2.gz NPLSPAFAIXCHFU-FZKQIMNGSA-N -1 0 362.382 -0.087 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC000659780558 485266852 /nfs/dbraw/zinc/26/68/52/485266852.db2.gz PPTKTOVNTUNUAK-IAQYHMDHSA-N -1 0 369.399 -0.495 20 0 FBADRM C[C@]1(c2cccc(C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)c2)NC(=O)NC1=O ZINC000659780748 485267012 /nfs/dbraw/zinc/26/70/12/485267012.db2.gz SXWIPYRFDOBTGC-NXOUGTEYSA-N -1 0 373.365 -0.086 20 0 FBADRM C[C@@]1(c2cccc(C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)c2)NC(=O)NC1=O ZINC000659780749 485266622 /nfs/dbraw/zinc/26/66/22/485266622.db2.gz SXWIPYRFDOBTGC-OCBCSQNSSA-N -1 0 373.365 -0.086 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)co1 ZINC000659780753 485266981 /nfs/dbraw/zinc/26/69/81/485266981.db2.gz UABRQBQFIVEODN-QMTHXVAHSA-N -1 0 358.372 -0.297 20 0 FBADRM CNS(=O)(=O)c1csc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000659780847 485266570 /nfs/dbraw/zinc/26/65/70/485266570.db2.gz VUJHQKWDHWUFPJ-AMIZOPFISA-N -1 0 360.413 -0.171 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n(C)c1 ZINC000659780854 485266668 /nfs/dbraw/zinc/26/66/68/485266668.db2.gz VYMBRYABDSOSQX-MEBBXXQBSA-N -1 0 371.415 -0.551 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@@H]1COCCN1CC(F)(F)F)C2 ZINC000659781064 485266930 /nfs/dbraw/zinc/26/69/30/485266930.db2.gz ZZUVRJCROCWIGS-GBIKHYSHSA-N -1 0 352.309 -0.191 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@H]1COCCN1CC(F)(F)F)C2 ZINC000659781066 485266634 /nfs/dbraw/zinc/26/66/34/485266634.db2.gz ZZUVRJCROCWIGS-GIPNMCIBSA-N -1 0 352.309 -0.191 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N(CC(=O)[O-])CC(C)(C)C)cn1C ZINC000659781472 485266549 /nfs/dbraw/zinc/26/65/49/485266549.db2.gz KSHBJFLAQGKFIW-UHFFFAOYSA-N -1 0 360.436 -0.034 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000659782486 485266855 /nfs/dbraw/zinc/26/68/55/485266855.db2.gz BWIFNEWJBJNOFA-IUODEOHRSA-N -1 0 360.432 -0.392 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CC1(n3cnnn3)CCOCC1)C2 ZINC000659782861 485266608 /nfs/dbraw/zinc/26/66/08/485266608.db2.gz HUAIBHUCTBFGKM-IAQYHMDHSA-N -1 0 351.363 -0.872 20 0 FBADRM CC(C)(C)CN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000659783097 485266600 /nfs/dbraw/zinc/26/66/00/485266600.db2.gz MHXOTTOHLIVHFZ-NEPJUHHUSA-N -1 0 374.459 -0.019 20 0 FBADRM CC(C)(C)CN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000659783098 485266906 /nfs/dbraw/zinc/26/69/06/485266906.db2.gz MHXOTTOHLIVHFZ-NWDGAFQWSA-N -1 0 374.459 -0.019 20 0 FBADRM CC(C)(C)CN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000659783099 485266673 /nfs/dbraw/zinc/26/66/73/485266673.db2.gz MHXOTTOHLIVHFZ-RYUDHWBXSA-N -1 0 374.459 -0.019 20 0 FBADRM CC(C)(C)CN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000659783100 485266978 /nfs/dbraw/zinc/26/69/78/485266978.db2.gz MHXOTTOHLIVHFZ-VXGBXAGGSA-N -1 0 374.459 -0.019 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC000659783863 485266873 /nfs/dbraw/zinc/26/68/73/485266873.db2.gz BUIKWZCQLUKRPO-UHFFFAOYSA-N -1 0 354.384 -0.070 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)NCC2(C(=O)[O-])CCC2)c1 ZINC000659784268 485250447 /nfs/dbraw/zinc/25/04/47/485250447.db2.gz DJDAJCLFYKWUJR-UHFFFAOYSA-N -1 0 359.404 -0.076 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)N(CC(=O)[O-])CC(C)(C)C)c(=O)n2C ZINC000659784408 485266970 /nfs/dbraw/zinc/26/69/70/485266970.db2.gz KHGWXMNSTZPHTB-UHFFFAOYSA-N -1 0 365.390 -0.607 20 0 FBADRM Cn1c2ncn(CCC(=O)NCC3(C(=O)[O-])CCC3)c2c(=O)n(C)c1=O ZINC000659785140 485266589 /nfs/dbraw/zinc/26/65/89/485266589.db2.gz HRFAPQWYOUXDSW-UHFFFAOYSA-N -1 0 363.374 -0.805 20 0 FBADRM Cn1c2ncn(CC(=O)N(CC(=O)[O-])CC(C)(C)C)c2c(=O)n(C)c1=O ZINC000659785616 485266702 /nfs/dbraw/zinc/26/67/02/485266702.db2.gz YMAMUWDRFKRZGN-UHFFFAOYSA-N -1 0 365.390 -0.607 20 0 FBADRM O=C([O-])C1(CNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCC1 ZINC000659785793 485266871 /nfs/dbraw/zinc/26/68/71/485266871.db2.gz VOFIOQLXGGQMNQ-GHMZBOCLSA-N -1 0 358.416 -0.607 20 0 FBADRM O=C([O-])C1(CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCC1 ZINC000659785795 485266460 /nfs/dbraw/zinc/26/64/60/485266460.db2.gz VOFIOQLXGGQMNQ-MNOVXSKESA-N -1 0 358.416 -0.607 20 0 FBADRM O=C([O-])C1(CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCC1 ZINC000659785797 485266849 /nfs/dbraw/zinc/26/68/49/485266849.db2.gz VOFIOQLXGGQMNQ-QWRGUYRKSA-N -1 0 358.416 -0.607 20 0 FBADRM O=C([O-])C1(CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCC1 ZINC000659785798 485266932 /nfs/dbraw/zinc/26/69/32/485266932.db2.gz VOFIOQLXGGQMNQ-WDEREUQCSA-N -1 0 358.416 -0.607 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NCC2(C(=O)[O-])CCC2)cn1C ZINC000659786050 485266471 /nfs/dbraw/zinc/26/64/71/485266471.db2.gz XWLGZUIGOJAILW-UHFFFAOYSA-N -1 0 358.420 -0.232 20 0 FBADRM Cc1cc(C(=O)NCC2(C(=O)[O-])CCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000659786083 485267094 /nfs/dbraw/zinc/26/70/94/485267094.db2.gz ZDDCZSHOXBPMGL-UHFFFAOYSA-N -1 0 360.370 -0.075 20 0 FBADRM CC1(C)CNC(=O)[C@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000660017976 485274430 /nfs/dbraw/zinc/27/44/30/485274430.db2.gz PQHPOANGWIXGOM-MRVPVSSYSA-N -1 0 353.360 -0.761 20 0 FBADRM CC1(C)CNC(=O)[C@@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000660017977 485274198 /nfs/dbraw/zinc/27/41/98/485274198.db2.gz PQHPOANGWIXGOM-QMMMGPOBSA-N -1 0 353.360 -0.761 20 0 FBADRM CN(CC(=O)NCc1ccc(S(C)(=O)=O)cc1)Cc1n[n-]c(=O)o1 ZINC000660844525 483619541 /nfs/dbraw/zinc/61/95/41/483619541.db2.gz OICSMMIUSYGYSR-UHFFFAOYSA-N -1 0 354.388 -0.073 20 0 FBADRM CC(C)N(CCCNC(=O)CN(C)Cc1n[n-]c(=O)o1)S(C)(=O)=O ZINC000660845880 485296518 /nfs/dbraw/zinc/29/65/18/485296518.db2.gz DESBMEPCBJYXFY-UHFFFAOYSA-N -1 0 363.440 -0.617 20 0 FBADRM CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1n[n-]c(=O)o1 ZINC000660846112 485296694 /nfs/dbraw/zinc/29/66/94/485296694.db2.gz FWSHOICOCHZSBS-UHFFFAOYSA-N -1 0 369.403 -0.787 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN(C)Cc1n[n-]c(=O)o1 ZINC000660846496 485296830 /nfs/dbraw/zinc/29/68/30/485296830.db2.gz GZIIOTSGOXSAGM-UHFFFAOYSA-N -1 0 355.376 -0.198 20 0 FBADRM C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)Cc1n[n-]c(=O)o1 ZINC000660848003 485296643 /nfs/dbraw/zinc/29/66/43/485296643.db2.gz KVPGJFKBAKZPLT-MRVPVSSYSA-N -1 0 355.376 -0.118 20 0 FBADRM C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)Cc1n[n-]c(=O)o1 ZINC000660848004 485296265 /nfs/dbraw/zinc/29/62/65/485296265.db2.gz KVPGJFKBAKZPLT-QMMMGPOBSA-N -1 0 355.376 -0.118 20 0 FBADRM C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1n[n-]c(=O)o1 ZINC000660849010 485296238 /nfs/dbraw/zinc/29/62/38/485296238.db2.gz UFZUPNWSPSGTPN-MRVPVSSYSA-N -1 0 355.376 -0.118 20 0 FBADRM C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1n[n-]c(=O)o1 ZINC000660849012 485296801 /nfs/dbraw/zinc/29/68/01/485296801.db2.gz UFZUPNWSPSGTPN-QMMMGPOBSA-N -1 0 355.376 -0.118 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN(C)Cc2n[n-]c(=O)o2)c(=O)[nH]c1=O ZINC000660849254 485296666 /nfs/dbraw/zinc/29/66/66/485296666.db2.gz WTXNDCLCIMNNFO-UHFFFAOYSA-N -1 0 352.351 -0.410 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN(C)Cc2n[n-]c(=O)o2)c(=O)n(C)c1=O ZINC000660849565 485295874 /nfs/dbraw/zinc/29/58/74/485295874.db2.gz YRSZNCYRNRXTTJ-UHFFFAOYSA-N -1 0 366.378 -0.812 20 0 FBADRM CN(CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)Cc1n[n-]c(=O)o1 ZINC000660849569 485296069 /nfs/dbraw/zinc/29/60/69/485296069.db2.gz YTZQLYVMUMBLAI-UHFFFAOYSA-N -1 0 367.387 -0.556 20 0 FBADRM CN(Cc1n[n-]c(=O)o1)Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC000660850969 485296140 /nfs/dbraw/zinc/29/61/40/485296140.db2.gz WAUNUKWOLGMPLI-UHFFFAOYSA-N -1 0 365.375 -0.214 20 0 FBADRM Cc1ccc(NC(=O)CN(C)Cc2n[n-]c(=O)o2)cc1S(N)(=O)=O ZINC000660851208 485296565 /nfs/dbraw/zinc/29/65/65/485296565.db2.gz WCLCCUCGTYNYPV-UHFFFAOYSA-N -1 0 355.376 -0.198 20 0 FBADRM CN(CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)Cc1n[n-]c(=O)o1 ZINC000660851513 485297706 /nfs/dbraw/zinc/29/77/06/485297706.db2.gz DBDHTTSHWNYOLN-UHFFFAOYSA-N -1 0 368.438 -0.734 20 0 FBADRM CC(C)CN(C(=O)CN(C)Cc1n[n-]c(=O)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000660852346 483633643 /nfs/dbraw/zinc/63/36/43/483633643.db2.gz RGEGOFQXPHAPNU-LLVKDONJSA-N -1 0 360.436 -0.121 20 0 FBADRM CC(C)CN(C(=O)CN(C)Cc1n[n-]c(=O)o1)[C@H]1CCS(=O)(=O)C1 ZINC000660852347 483633425 /nfs/dbraw/zinc/63/34/25/483633425.db2.gz RGEGOFQXPHAPNU-NSHDSACASA-N -1 0 360.436 -0.121 20 0 FBADRM C[C@@H]1CN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CCN1S(C)(=O)=O ZINC000661681864 485319311 /nfs/dbraw/zinc/31/93/11/485319311.db2.gz GTQCNFHEFJHQMJ-LLVKDONJSA-N -1 0 372.472 -0.026 20 0 FBADRM O=C([O-])CN1CC[C@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O ZINC000662201405 485331906 /nfs/dbraw/zinc/33/19/06/485331906.db2.gz RDQJRMIXIOSHSK-AWEZNQCLSA-N -1 0 367.427 -0.322 20 0 FBADRM O=C([O-])CN1CC[C@@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O ZINC000662201409 485332157 /nfs/dbraw/zinc/33/21/57/485332157.db2.gz RDQJRMIXIOSHSK-CQSZACIVSA-N -1 0 367.427 -0.322 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCOC[C@@H]1C(=O)[O-] ZINC000662202992 485332243 /nfs/dbraw/zinc/33/22/43/485332243.db2.gz AIZILPPXSUGQIL-CYBMUJFWSA-N -1 0 369.399 -0.992 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCOC[C@H]1C(=O)[O-] ZINC000662203010 485332321 /nfs/dbraw/zinc/33/23/21/485332321.db2.gz AIZILPPXSUGQIL-ZDUSSCGKSA-N -1 0 369.399 -0.992 20 0 FBADRM CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCOC[C@H]2C(=O)[O-])CC1 ZINC000662203183 485332092 /nfs/dbraw/zinc/33/20/92/485332092.db2.gz BLZLOGOPAXAOPB-AWEZNQCLSA-N -1 0 355.435 -0.123 20 0 FBADRM CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCOC[C@@H]2C(=O)[O-])CC1 ZINC000662203187 485332214 /nfs/dbraw/zinc/33/22/14/485332214.db2.gz BLZLOGOPAXAOPB-CQSZACIVSA-N -1 0 355.435 -0.123 20 0 FBADRM O=C([O-])[C@H]1COCCN1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000662203229 485331774 /nfs/dbraw/zinc/33/17/74/485331774.db2.gz BWUIQUJHRHYMPL-GFCCVEGCSA-N -1 0 351.359 -0.651 20 0 FBADRM O=C([O-])[C@@H]1COCCN1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000662203240 485331921 /nfs/dbraw/zinc/33/19/21/485331921.db2.gz BWUIQUJHRHYMPL-LBPRGKRZSA-N -1 0 351.359 -0.651 20 0 FBADRM O=C([O-])[C@@H]1COCCN1CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000662203914 485331755 /nfs/dbraw/zinc/33/17/55/485331755.db2.gz FSNQDISRHZBBKK-KBPBESRZSA-N -1 0 374.459 -0.270 20 0 FBADRM O=C([O-])[C@@H]1COCCN1CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000662203935 485331876 /nfs/dbraw/zinc/33/18/76/485331876.db2.gz FSNQDISRHZBBKK-KGLIPLIRSA-N -1 0 374.459 -0.270 20 0 FBADRM O=C([O-])[C@H]1COCCN1CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000662203938 485331934 /nfs/dbraw/zinc/33/19/34/485331934.db2.gz FSNQDISRHZBBKK-UONOGXRCSA-N -1 0 374.459 -0.270 20 0 FBADRM O=C([O-])[C@H]1COCCN1CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000662203941 485331797 /nfs/dbraw/zinc/33/17/97/485331797.db2.gz FSNQDISRHZBBKK-ZIAGYGMSSA-N -1 0 374.459 -0.270 20 0 FBADRM CN(C)S(=O)(=O)c1ccc2c(c1)N([C@@H]1CCN(CC(=O)[O-])C1=O)CC2 ZINC000662204019 485332319 /nfs/dbraw/zinc/33/23/19/485332319.db2.gz GILDXHVRQWPSAI-CYBMUJFWSA-N -1 0 367.427 -0.015 20 0 FBADRM CN(C)S(=O)(=O)c1ccc2c(c1)N([C@H]1CCN(CC(=O)[O-])C1=O)CC2 ZINC000662204022 485332223 /nfs/dbraw/zinc/33/22/23/485332223.db2.gz GILDXHVRQWPSAI-ZDUSSCGKSA-N -1 0 367.427 -0.015 20 0 FBADRM Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCOC[C@@H]2C(=O)[O-])c1C ZINC000662204292 485332122 /nfs/dbraw/zinc/33/21/22/485332122.db2.gz HZUGDMRCMPUSMJ-CYBMUJFWSA-N -1 0 371.415 -0.325 20 0 FBADRM Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCOC[C@H]2C(=O)[O-])c1C ZINC000662204311 485332046 /nfs/dbraw/zinc/33/20/46/485332046.db2.gz HZUGDMRCMPUSMJ-ZDUSSCGKSA-N -1 0 371.415 -0.325 20 0 FBADRM NC(=O)CSc1ccccc1NC(=O)CN1CCOC[C@@H]1C(=O)[O-] ZINC000662204322 485331928 /nfs/dbraw/zinc/33/19/28/485331928.db2.gz IAVWRSFEFPGAPV-LLVKDONJSA-N -1 0 353.400 -0.012 20 0 FBADRM NC(=O)CSc1ccccc1NC(=O)CN1CCOC[C@H]1C(=O)[O-] ZINC000662204324 485332172 /nfs/dbraw/zinc/33/21/72/485332172.db2.gz IAVWRSFEFPGAPV-NSHDSACASA-N -1 0 353.400 -0.012 20 0 FBADRM CC(C)CN(C(=O)CN1CCOC[C@@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000662204557 485331863 /nfs/dbraw/zinc/33/18/63/485331863.db2.gz KMSULHLDDMGFSO-CHWSQXEVSA-N -1 0 362.448 -0.557 20 0 FBADRM CC(C)CN(C(=O)CN1CCOC[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000662204560 485332264 /nfs/dbraw/zinc/33/22/64/485332264.db2.gz KMSULHLDDMGFSO-OLZOCXBDSA-N -1 0 362.448 -0.557 20 0 FBADRM CC(C)CN(C(=O)CN1CCOC[C@@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000662204563 485332076 /nfs/dbraw/zinc/33/20/76/485332076.db2.gz KMSULHLDDMGFSO-QWHCGFSZSA-N -1 0 362.448 -0.557 20 0 FBADRM CC(C)CN(C(=O)CN1CCOC[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000662204566 485331914 /nfs/dbraw/zinc/33/19/14/485331914.db2.gz KMSULHLDDMGFSO-STQMWFEESA-N -1 0 362.448 -0.557 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)CCN2CCOC[C@@H]2C(=O)[O-])c1 ZINC000662205560 485331737 /nfs/dbraw/zinc/33/17/37/485331737.db2.gz QFQOYCWRKIDTBI-GFCCVEGCSA-N -1 0 357.388 -0.552 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)CCN2CCOC[C@H]2C(=O)[O-])c1 ZINC000662205563 485331941 /nfs/dbraw/zinc/33/19/41/485331941.db2.gz QFQOYCWRKIDTBI-LBPRGKRZSA-N -1 0 357.388 -0.552 20 0 FBADRM CCCCN(C(=O)CN1CCOC[C@@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000662205615 485332028 /nfs/dbraw/zinc/33/20/28/485332028.db2.gz RENIBLWUNZXZDQ-CHWSQXEVSA-N -1 0 362.448 -0.412 20 0 FBADRM CCCCN(C(=O)CN1CCOC[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000662205616 485332149 /nfs/dbraw/zinc/33/21/49/485332149.db2.gz RENIBLWUNZXZDQ-OLZOCXBDSA-N -1 0 362.448 -0.412 20 0 FBADRM CCCCN(C(=O)CN1CCOC[C@@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000662205617 485331986 /nfs/dbraw/zinc/33/19/86/485331986.db2.gz RENIBLWUNZXZDQ-QWHCGFSZSA-N -1 0 362.448 -0.412 20 0 FBADRM CCCCN(C(=O)CN1CCOC[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000662205618 485332164 /nfs/dbraw/zinc/33/21/64/485332164.db2.gz RENIBLWUNZXZDQ-STQMWFEESA-N -1 0 362.448 -0.412 20 0 FBADRM COc1ccccc1N(CCC(N)=O)C(=O)CN1CCOC[C@@H]1C(=O)[O-] ZINC000662205954 485332105 /nfs/dbraw/zinc/33/21/05/485332105.db2.gz SHXWCWSWGCTFJL-CYBMUJFWSA-N -1 0 365.386 -0.311 20 0 FBADRM COc1ccccc1N(CCC(N)=O)C(=O)CN1CCOC[C@H]1C(=O)[O-] ZINC000662205955 485331834 /nfs/dbraw/zinc/33/18/34/485331834.db2.gz SHXWCWSWGCTFJL-ZDUSSCGKSA-N -1 0 365.386 -0.311 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCN(C)[C@H]2CCN(CC(=O)[O-])C2=O)cc1 ZINC000662206186 485332176 /nfs/dbraw/zinc/33/21/76/485332176.db2.gz OWLSEINRDIFWCB-AWEZNQCLSA-N -1 0 369.443 -0.109 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCN(C)[C@@H]2CCN(CC(=O)[O-])C2=O)cc1 ZINC000662206187 485332284 /nfs/dbraw/zinc/33/22/84/485332284.db2.gz OWLSEINRDIFWCB-CQSZACIVSA-N -1 0 369.443 -0.109 20 0 FBADRM COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCOC[C@@H]1C(=O)[O-] ZINC000662206284 485332145 /nfs/dbraw/zinc/33/21/45/485332145.db2.gz XQIYFIRPJFHDHO-CYBMUJFWSA-N -1 0 365.386 -0.156 20 0 FBADRM COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCOC[C@H]1C(=O)[O-] ZINC000662206285 485331729 /nfs/dbraw/zinc/33/17/29/485331729.db2.gz XQIYFIRPJFHDHO-ZDUSSCGKSA-N -1 0 365.386 -0.156 20 0 FBADRM O=C([O-])[C@H]1COCCN1CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000662206834 485332169 /nfs/dbraw/zinc/33/21/69/485332169.db2.gz CGJXNFGAKAKACN-GFCCVEGCSA-N -1 0 350.310 -0.475 20 0 FBADRM O=C([O-])[C@@H]1COCCN1CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000662206835 485332050 /nfs/dbraw/zinc/33/20/50/485332050.db2.gz CGJXNFGAKAKACN-LBPRGKRZSA-N -1 0 350.310 -0.475 20 0 FBADRM CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCOC[C@@H]2C(=O)[O-])c1 ZINC000662207643 485332183 /nfs/dbraw/zinc/33/21/83/485332183.db2.gz JTKLCWLXZYWWOY-GFCCVEGCSA-N -1 0 360.363 -0.047 20 0 FBADRM CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCOC[C@H]2C(=O)[O-])c1 ZINC000662207644 485331809 /nfs/dbraw/zinc/33/18/09/485331809.db2.gz JTKLCWLXZYWWOY-LBPRGKRZSA-N -1 0 360.363 -0.047 20 0 FBADRM Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCOC[C@@H]2C(=O)[O-])c1 ZINC000662207662 485331805 /nfs/dbraw/zinc/33/18/05/485331805.db2.gz KEJNUGBWRBJRAS-CYBMUJFWSA-N -1 0 364.337 -0.166 20 0 FBADRM Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCOC[C@H]2C(=O)[O-])c1 ZINC000662207663 485332137 /nfs/dbraw/zinc/33/21/37/485332137.db2.gz KEJNUGBWRBJRAS-ZDUSSCGKSA-N -1 0 364.337 -0.166 20 0 FBADRM Cc1ccc(NC(=O)CN2CCOC[C@@H]2C(=O)[O-])cc1S(N)(=O)=O ZINC000662207983 485331870 /nfs/dbraw/zinc/33/18/70/485331870.db2.gz MLHCZBINTNARPE-LLVKDONJSA-N -1 0 357.388 -0.634 20 0 FBADRM Cc1ccc(NC(=O)CN2CCOC[C@H]2C(=O)[O-])cc1S(N)(=O)=O ZINC000662207985 485332155 /nfs/dbraw/zinc/33/21/55/485332155.db2.gz MLHCZBINTNARPE-NSHDSACASA-N -1 0 357.388 -0.634 20 0 FBADRM O=C([O-])[C@@H]1COCCN1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000662207992 485331785 /nfs/dbraw/zinc/33/17/85/485331785.db2.gz MTKAMYVJFBINJA-HNNXBMFYSA-N -1 0 361.398 -0.020 20 0 FBADRM O=C([O-])[C@H]1COCCN1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000662207994 485332281 /nfs/dbraw/zinc/33/22/81/485332281.db2.gz MTKAMYVJFBINJA-OAHLLOKOSA-N -1 0 361.398 -0.020 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCOC[C@@H]1C(=O)[O-] ZINC000662208047 485332100 /nfs/dbraw/zinc/33/21/00/485332100.db2.gz NOCCHQQVPDCVPN-GFCCVEGCSA-N -1 0 357.388 -0.634 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCOC[C@H]1C(=O)[O-] ZINC000662208049 485332231 /nfs/dbraw/zinc/33/22/31/485332231.db2.gz NOCCHQQVPDCVPN-LBPRGKRZSA-N -1 0 357.388 -0.634 20 0 FBADRM CCCCn1c2nc(CN3CCOC[C@H]3C(=O)[O-])n(C)c2c(=O)[nH]c1=O ZINC000662208099 485331720 /nfs/dbraw/zinc/33/17/20/485331720.db2.gz OTZIOWVDYBDBEA-JTQLQIEISA-N -1 0 365.390 -0.079 20 0 FBADRM CCCCn1c2nc(CN3CCOC[C@@H]3C(=O)[O-])n(C)c2c(=O)[nH]c1=O ZINC000662208100 485332071 /nfs/dbraw/zinc/33/20/71/485332071.db2.gz OTZIOWVDYBDBEA-SNVBAGLBSA-N -1 0 365.390 -0.079 20 0 FBADRM O=C([O-])CN1CC[C@H](N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)C1=O ZINC000662210742 485332125 /nfs/dbraw/zinc/33/21/25/485332125.db2.gz JWAGREWTYXXAIB-KBPBESRZSA-N -1 0 373.475 -0.002 20 0 FBADRM O=C([O-])CN1CC[C@H](N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)C1=O ZINC000662210743 485333374 /nfs/dbraw/zinc/33/33/74/485333374.db2.gz JWAGREWTYXXAIB-KGLIPLIRSA-N -1 0 373.475 -0.002 20 0 FBADRM O=C([O-])CN1CC[C@@H](N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)C1=O ZINC000662210744 485333221 /nfs/dbraw/zinc/33/32/21/485333221.db2.gz JWAGREWTYXXAIB-UONOGXRCSA-N -1 0 373.475 -0.002 20 0 FBADRM O=C([O-])CN1CC[C@@H](N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)C1=O ZINC000662210746 485333268 /nfs/dbraw/zinc/33/32/68/485333268.db2.gz JWAGREWTYXXAIB-ZIAGYGMSSA-N -1 0 373.475 -0.002 20 0 FBADRM CNS(=O)(=O)c1ccc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1 ZINC000662211557 485332941 /nfs/dbraw/zinc/33/29/41/485332941.db2.gz QOZUYTRKDBIOTH-GFCCVEGCSA-N -1 0 362.429 -0.722 20 0 FBADRM CNS(=O)(=O)c1ccc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1 ZINC000662211558 485332994 /nfs/dbraw/zinc/33/29/94/485332994.db2.gz QOZUYTRKDBIOTH-LBPRGKRZSA-N -1 0 362.429 -0.722 20 0 FBADRM CCCCn1c(N)c(N(C)[C@@H]2CCN(CC(=O)[O-])C2=O)c(=O)[nH]c1=O ZINC000662212111 485332522 /nfs/dbraw/zinc/33/25/22/485332522.db2.gz UOLXWHDHJPZXSW-SECBINFHSA-N -1 0 353.379 -0.547 20 0 FBADRM CCCCn1c(N)c(N(C)[C@H]2CCN(CC(=O)[O-])C2=O)c(=O)[nH]c1=O ZINC000662212112 485332949 /nfs/dbraw/zinc/33/29/49/485332949.db2.gz UOLXWHDHJPZXSW-VIFPVBQESA-N -1 0 353.379 -0.547 20 0 FBADRM CCCCn1c(N)c(N(CC)[C@H]2CCN(CC(=O)[O-])C2=O)c(=O)[nH]c1=O ZINC000662212124 485333301 /nfs/dbraw/zinc/33/33/01/485333301.db2.gz UVTDMHSRXRCNRJ-JTQLQIEISA-N -1 0 367.406 -0.157 20 0 FBADRM CCCCn1c(N)c(N(CC)[C@@H]2CCN(CC(=O)[O-])C2=O)c(=O)[nH]c1=O ZINC000662212125 485333073 /nfs/dbraw/zinc/33/30/73/485333073.db2.gz UVTDMHSRXRCNRJ-SNVBAGLBSA-N -1 0 367.406 -0.157 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)N([C@@H]1CCN(CC(=O)[O-])C1=O)CCC2 ZINC000662212307 485333319 /nfs/dbraw/zinc/33/33/19/485333319.db2.gz VSDCUZMDYUSQQT-GFCCVEGCSA-N -1 0 353.400 -0.228 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)N([C@H]1CCN(CC(=O)[O-])C1=O)CCC2 ZINC000662212308 485333528 /nfs/dbraw/zinc/33/35/28/485333528.db2.gz VSDCUZMDYUSQQT-LBPRGKRZSA-N -1 0 353.400 -0.228 20 0 FBADRM CCN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@H](C)C(=O)[O-] ZINC000662213965 485332978 /nfs/dbraw/zinc/33/29/78/485332978.db2.gz CAWBSUJAMOEMLD-GFCCVEGCSA-N -1 0 351.469 -0.042 20 0 FBADRM CCN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@@H](C)C(=O)[O-] ZINC000662213968 485333018 /nfs/dbraw/zinc/33/30/18/485333018.db2.gz CAWBSUJAMOEMLD-LBPRGKRZSA-N -1 0 351.469 -0.042 20 0 FBADRM CCN(CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)[C@@H](C)C(=O)[O-] ZINC000662216968 485332596 /nfs/dbraw/zinc/33/25/96/485332596.db2.gz RHCGZNGIVBOQAO-JTQLQIEISA-N -1 0 354.407 -0.237 20 0 FBADRM CCN(CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)[C@H](C)C(=O)[O-] ZINC000662216969 485333232 /nfs/dbraw/zinc/33/32/32/485333232.db2.gz RHCGZNGIVBOQAO-SNVBAGLBSA-N -1 0 354.407 -0.237 20 0 FBADRM CCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H](C)C(=O)[O-] ZINC000662217757 485332737 /nfs/dbraw/zinc/33/27/37/485332737.db2.gz SSTRCVWDAXOIPO-LLVKDONJSA-N -1 0 357.432 -0.212 20 0 FBADRM CCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H](C)C(=O)[O-] ZINC000662217758 485333165 /nfs/dbraw/zinc/33/31/65/485333165.db2.gz SSTRCVWDAXOIPO-NSHDSACASA-N -1 0 357.432 -0.212 20 0 FBADRM CCN(CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@H](C)C(=O)[O-] ZINC000662217975 485333486 /nfs/dbraw/zinc/33/34/86/485333486.db2.gz XVYLAAMPLYZOEZ-CYBMUJFWSA-N -1 0 356.467 -0.160 20 0 FBADRM CCN(CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H](C)C(=O)[O-] ZINC000662217976 485333574 /nfs/dbraw/zinc/33/35/74/485333574.db2.gz XVYLAAMPLYZOEZ-ZDUSSCGKSA-N -1 0 356.467 -0.160 20 0 FBADRM CN(CCCNC(=O)CN(CC(=O)[O-])CC(C)(C)C)S(C)(=O)=O ZINC000662223189 485333589 /nfs/dbraw/zinc/33/35/89/485333589.db2.gz NEPIZNIYEGNKNG-UHFFFAOYSA-N -1 0 351.469 -0.183 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)CN(CC(=O)[O-])CC(C)(C)C)CC1 ZINC000662224417 485333604 /nfs/dbraw/zinc/33/36/04/485333604.db2.gz BUYOHRZZCPHGEQ-UHFFFAOYSA-N -1 0 356.467 -0.349 20 0 FBADRM Cn1c(N)c(C(=O)CN2CCc3ccccc3[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000662238530 485333681 /nfs/dbraw/zinc/33/36/81/485333681.db2.gz SEAGQEYMYCYVCI-AWEZNQCLSA-N -1 0 372.381 -0.467 20 0 FBADRM Cn1c(N)c(C(=O)CN2CCc3ccccc3[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000662238531 485332633 /nfs/dbraw/zinc/33/26/33/485332633.db2.gz SEAGQEYMYCYVCI-CQSZACIVSA-N -1 0 372.381 -0.467 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC3CC2(C)C3)n1 ZINC000662843456 483914626 /nfs/dbraw/zinc/91/46/26/483914626.db2.gz KQHBSSZLAAIFGH-UHFFFAOYSA-N -1 0 363.465 -0.239 20 0 FBADRM O=C1NCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nccs1 ZINC000662843948 483914701 /nfs/dbraw/zinc/91/47/01/483914701.db2.gz PWVHNZABJPCECZ-QMMMGPOBSA-N -1 0 368.462 -0.917 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2=CCCC2)n1 ZINC000662849598 483915014 /nfs/dbraw/zinc/91/50/14/483915014.db2.gz HKTYFWAEIGCNJS-UHFFFAOYSA-N -1 0 363.465 -0.023 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCC2(COC2)C1)[N-]c1ccon1 ZINC000662852176 483915606 /nfs/dbraw/zinc/91/56/06/483915606.db2.gz IYVIUEYULOVNTE-UHFFFAOYSA-N -1 0 365.433 -0.142 20 0 FBADRM C[C@@H](O)[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000662853833 483916255 /nfs/dbraw/zinc/91/62/55/483916255.db2.gz IRFSDGDZJRXNEO-GHMZBOCLSA-N -1 0 367.449 -0.019 20 0 FBADRM C[C@H](O)[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000662853834 483916056 /nfs/dbraw/zinc/91/60/56/483916056.db2.gz IRFSDGDZJRXNEO-WDEREUQCSA-N -1 0 367.449 -0.019 20 0 FBADRM C[C@@H](O)[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000662855224 483915966 /nfs/dbraw/zinc/91/59/66/483915966.db2.gz SILHSPNCDGBOKO-NXEZZACHSA-N -1 0 367.453 -0.889 20 0 FBADRM C[C@H](O)[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000662855228 483916296 /nfs/dbraw/zinc/91/62/96/483916296.db2.gz SILHSPNCDGBOKO-VHSXEESVSA-N -1 0 367.453 -0.889 20 0 FBADRM CC1(C)C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)CO1 ZINC000662859106 483916593 /nfs/dbraw/zinc/91/65/93/483916593.db2.gz HCIQBWDYUJKDMA-SECBINFHSA-N -1 0 367.453 -0.577 20 0 FBADRM CC1(C)C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)CO1 ZINC000662859107 483915753 /nfs/dbraw/zinc/91/57/53/483915753.db2.gz HCIQBWDYUJKDMA-VIFPVBQESA-N -1 0 367.453 -0.577 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@]23C[C@@H]2CCC3)n1 ZINC000662860279 483916170 /nfs/dbraw/zinc/91/61/70/483916170.db2.gz FWOGOAHSTQJOJP-JQWIXIFHSA-N -1 0 363.465 -0.191 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@]23C[C@H]2CCC3)n1 ZINC000662860281 483916139 /nfs/dbraw/zinc/91/61/39/483916139.db2.gz FWOGOAHSTQJOJP-ZYHUDNBSSA-N -1 0 363.465 -0.191 20 0 FBADRM O=C1NCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nccs1 ZINC000662864221 483916483 /nfs/dbraw/zinc/91/64/83/483916483.db2.gz PWVHNZABJPCECZ-MRVPVSSYSA-N -1 0 368.462 -0.917 20 0 FBADRM CN(Cc1c[nH]cn1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000662865163 483915955 /nfs/dbraw/zinc/91/59/55/483915955.db2.gz ZFSILRVIZOAIAL-UHFFFAOYSA-N -1 0 363.421 -0.009 20 0 FBADRM Cn1c(=O)cc(N[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)n(C)c1=O ZINC000662881459 483917238 /nfs/dbraw/zinc/91/72/38/483917238.db2.gz ZPSQJPBVRNORMB-DOMZBBRYSA-N -1 0 372.381 -0.077 20 0 FBADRM Cn1c(=O)cc(N[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)n(C)c1=O ZINC000662881460 483917108 /nfs/dbraw/zinc/91/71/08/483917108.db2.gz ZPSQJPBVRNORMB-IUODEOHRSA-N -1 0 372.381 -0.077 20 0 FBADRM Cn1c(=O)cc(N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)n(C)c1=O ZINC000662881461 483917815 /nfs/dbraw/zinc/91/78/15/483917815.db2.gz ZPSQJPBVRNORMB-SWLSCSKDSA-N -1 0 372.381 -0.077 20 0 FBADRM Cn1c(=O)cc(N[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)n(C)c1=O ZINC000662881462 483917835 /nfs/dbraw/zinc/91/78/35/483917835.db2.gz ZPSQJPBVRNORMB-WFASDCNBSA-N -1 0 372.381 -0.077 20 0 FBADRM CS(=O)(=O)N(CC(=O)[O-])C[C@H]1CN(c2cc3c(nn2)CCC3)CCO1 ZINC000662891595 483918127 /nfs/dbraw/zinc/91/81/27/483918127.db2.gz NHLVLGGRVJCMMT-GFCCVEGCSA-N -1 0 370.431 -0.483 20 0 FBADRM CS(=O)(=O)N(CC(=O)[O-])C[C@@H]1CN(c2cc3c(nn2)CCC3)CCO1 ZINC000662891596 483918289 /nfs/dbraw/zinc/91/82/89/483918289.db2.gz NHLVLGGRVJCMMT-LBPRGKRZSA-N -1 0 370.431 -0.483 20 0 FBADRM CC(C)c1noc(N2CCO[C@H](CN(CC(=O)[O-])S(C)(=O)=O)C2)n1 ZINC000662891655 483919087 /nfs/dbraw/zinc/91/90/87/483919087.db2.gz ONABDEMZAVSTHZ-JTQLQIEISA-N -1 0 362.408 -0.256 20 0 FBADRM CC(C)c1noc(N2CCO[C@@H](CN(CC(=O)[O-])S(C)(=O)=O)C2)n1 ZINC000662891656 483918357 /nfs/dbraw/zinc/91/83/57/483918357.db2.gz ONABDEMZAVSTHZ-SNVBAGLBSA-N -1 0 362.408 -0.256 20 0 FBADRM COc1cc(N2CCO[C@H](CN(CC(=O)[O-])S(C)(=O)=O)C2)ncn1 ZINC000662892123 483919480 /nfs/dbraw/zinc/91/94/80/483919480.db2.gz XJISSWWGLGGGGP-JTQLQIEISA-N -1 0 360.392 -0.963 20 0 FBADRM COc1cc(N2CCO[C@@H](CN(CC(=O)[O-])S(C)(=O)=O)C2)ncn1 ZINC000662892124 483918993 /nfs/dbraw/zinc/91/89/93/483918993.db2.gz XJISSWWGLGGGGP-SNVBAGLBSA-N -1 0 360.392 -0.963 20 0 FBADRM COCC(=O)N1CCN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CC1 ZINC000662902033 483918379 /nfs/dbraw/zinc/91/83/79/483918379.db2.gz CRFHKVUAEIBNCL-UHFFFAOYSA-N -1 0 369.418 -0.593 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCN(c3ccccn3)CC1)C2 ZINC000662902265 483918255 /nfs/dbraw/zinc/91/82/55/483918255.db2.gz GYHWVBNKSLMWJR-FZKQIMNGSA-N -1 0 374.397 -0.710 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H](c3ncc[nH]3)C1)C2 ZINC000662903066 483918522 /nfs/dbraw/zinc/91/85/22/483918522.db2.gz AAVJLOMQILQBCB-PSTGCABASA-N -1 0 362.386 -0.325 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@H](c3ncc[nH]3)C1)C2 ZINC000662903067 483919093 /nfs/dbraw/zinc/91/90/93/483919093.db2.gz AAVJLOMQILQBCB-XWCIJXRUSA-N -1 0 362.386 -0.325 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCc3ccc(O)cc3C1)C2 ZINC000662903077 483919215 /nfs/dbraw/zinc/91/92/15/483919215.db2.gz AHOSRMLNQILWEO-FZKQIMNGSA-N -1 0 360.366 -0.164 20 0 FBADRM CC(C)CN1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000662903088 483919364 /nfs/dbraw/zinc/91/93/64/483919364.db2.gz SZUQBRZYWBXZDW-CXAGYDPISA-N -1 0 353.419 -0.654 20 0 FBADRM CN(CC(=O)N1CCOCC1)C(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000662903152 483918246 /nfs/dbraw/zinc/91/82/46/483918246.db2.gz BQNJCYJORPQGQU-UHFFFAOYSA-N -1 0 369.418 -0.593 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N(C[C@H]1CCOC1)C1CC1)C2 ZINC000662903169 483918384 /nfs/dbraw/zinc/91/83/84/483918384.db2.gz UVUPFLHXMHQIHD-PSTGCABASA-N -1 0 352.387 -0.427 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N(C[C@@H]1CCOC1)C1CC1)C2 ZINC000662903170 483918192 /nfs/dbraw/zinc/91/81/92/483918192.db2.gz UVUPFLHXMHQIHD-XWCIJXRUSA-N -1 0 352.387 -0.427 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC(n3ccnc3)CC1)C2 ZINC000662903222 483919038 /nfs/dbraw/zinc/91/90/38/483919038.db2.gz CNVIMYAFTOIHPA-SJKOYZFVSA-N -1 0 362.386 -0.394 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCN(CC3CC3)CC1)C2 ZINC000662903232 483918955 /nfs/dbraw/zinc/91/89/55/483918955.db2.gz CPVSCWNLPASAHU-CXAGYDPISA-N -1 0 351.403 -0.900 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCN(C3CCC3)CC1)C2 ZINC000662903395 483918488 /nfs/dbraw/zinc/91/84/88/483918488.db2.gz BFTFSUNMIHDARZ-SJKOYZFVSA-N -1 0 351.403 -0.757 20 0 FBADRM CCn1cc(CN(C)C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC000662903396 483918879 /nfs/dbraw/zinc/91/88/79/483918879.db2.gz BHBAFBYSYREFDA-MLGOLLRUSA-N -1 0 350.375 -0.579 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC(c3c[nH]cn3)CC1)C2 ZINC000662903459 483918325 /nfs/dbraw/zinc/91/83/25/483918325.db2.gz CPYLPZGTWVKXKH-SJKOYZFVSA-N -1 0 362.386 -0.325 20 0 FBADRM COC1CCC(N(C)C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000662903476 483918780 /nfs/dbraw/zinc/91/87/80/483918780.db2.gz DBTRXNKZZRWWJM-GUOZAKBUSA-N -1 0 354.403 -0.038 20 0 FBADRM CC(=O)N(C)C1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000662903493 483918464 /nfs/dbraw/zinc/91/84/64/483918464.db2.gz DJGALDIIQVDBOD-SJKOYZFVSA-N -1 0 367.402 -0.985 20 0 FBADRM CC(C)OC1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000662903639 483918608 /nfs/dbraw/zinc/91/86/08/483918608.db2.gz GLLKHBYRCQFVAM-SJKOYZFVSA-N -1 0 354.403 -0.038 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCN(c3ccccc3)CC1)C2 ZINC000662903664 483919018 /nfs/dbraw/zinc/91/90/18/483919018.db2.gz ZVJZNTRHBKNECP-AUUYWEPGSA-N -1 0 373.409 -0.105 20 0 FBADRM CC(C)C[C@H]1COCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662903706 483920297 /nfs/dbraw/zinc/92/02/97/483920297.db2.gz FFXMELJHTJVKKC-IIYDPXPESA-N -1 0 354.403 -0.181 20 0 FBADRM CC(C)C[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662903707 483920887 /nfs/dbraw/zinc/92/08/87/483920887.db2.gz FFXMELJHTJVKKC-PBFPGSCMSA-N -1 0 354.403 -0.181 20 0 FBADRM CN(C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C1CCC(CO)CC1 ZINC000662903918 483920723 /nfs/dbraw/zinc/92/07/23/483920723.db2.gz HXWCUHKKBGYHKI-SREUGNAMSA-N -1 0 354.403 -0.445 20 0 FBADRM CN(Cc1nccn1C(F)F)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662903986 483920943 /nfs/dbraw/zinc/92/09/43/483920943.db2.gz LQDCJDCGSPGETF-RFAUZJTJSA-N -1 0 372.328 -0.204 20 0 FBADRM O=C([O-])CCC1CCN(C(=O)C(=O)N2CCN(C3CC3)C(=O)C2)CC1 ZINC000662903995 483919917 /nfs/dbraw/zinc/91/99/17/483919917.db2.gz JILZNEQBPVLQIG-UHFFFAOYSA-N -1 0 351.403 -0.077 20 0 FBADRM CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662903996 483920733 /nfs/dbraw/zinc/92/07/33/483920733.db2.gz LRSPAPGCSSKTOF-BWACUDIHSA-N -1 0 367.402 -0.937 20 0 FBADRM CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662903998 483920263 /nfs/dbraw/zinc/92/02/63/483920263.db2.gz LRSPAPGCSSKTOF-PSTGCABASA-N -1 0 367.402 -0.937 20 0 FBADRM CCC(=O)N1CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000662904011 483920111 /nfs/dbraw/zinc/92/01/11/483920111.db2.gz LWPVYFNMCBMZOM-SJKOYZFVSA-N -1 0 367.402 -0.983 20 0 FBADRM COCCN(C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C1CCCC1 ZINC000662904015 483920680 /nfs/dbraw/zinc/92/06/80/483920680.db2.gz MBIOCEIBZJELRT-SJKOYZFVSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@H](OC(F)F)C1)C2 ZINC000662904074 483919950 /nfs/dbraw/zinc/91/99/50/483919950.db2.gz NYWRJTNJXKTLEB-HFBDOXOYSA-N -1 0 362.329 -0.224 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H](OC(F)F)C1)C2 ZINC000662904106 483920849 /nfs/dbraw/zinc/92/08/49/483920849.db2.gz NYWRJTNJXKTLEB-IQMDTDKHSA-N -1 0 362.329 -0.224 20 0 FBADRM COCCCN(CCOC)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662904124 483920747 /nfs/dbraw/zinc/92/07/47/483920747.db2.gz OGKBVSWBVPAGPN-MLGOLLRUSA-N -1 0 358.391 -0.943 20 0 FBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000662904143 483920823 /nfs/dbraw/zinc/92/08/23/483920823.db2.gz KOARYNMDAIIJMR-LLVKDONJSA-N -1 0 362.448 -0.019 20 0 FBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000662904146 483920957 /nfs/dbraw/zinc/92/09/57/483920957.db2.gz KOARYNMDAIIJMR-NSHDSACASA-N -1 0 362.448 -0.019 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H](c3cc[nH]n3)C1)C2 ZINC000662904255 483920916 /nfs/dbraw/zinc/92/09/16/483920916.db2.gz QVGAAAOZIFAJQF-PSTGCABASA-N -1 0 362.386 -0.325 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@H](c3cc[nH]n3)C1)C2 ZINC000662904256 483920644 /nfs/dbraw/zinc/92/06/44/483920644.db2.gz QVGAAAOZIFAJQF-XWCIJXRUSA-N -1 0 362.386 -0.325 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCOc3ccccc3C1)C2 ZINC000662904261 483919909 /nfs/dbraw/zinc/91/99/09/483919909.db2.gz QXLBYLMHJBDYNM-FZKQIMNGSA-N -1 0 360.366 -0.033 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CCO1 ZINC000662904396 483920892 /nfs/dbraw/zinc/92/08/92/483920892.db2.gz LZMKFJVWXVLIOZ-AWEZNQCLSA-N -1 0 369.418 -0.547 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CCO1 ZINC000662904397 483920435 /nfs/dbraw/zinc/92/04/35/483920435.db2.gz LZMKFJVWXVLIOZ-CQSZACIVSA-N -1 0 369.418 -0.547 20 0 FBADRM NC(=O)NC[C@H]1CCCN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)C1 ZINC000662904433 483920440 /nfs/dbraw/zinc/92/04/40/483920440.db2.gz SXLIUBPBPJHASI-CYBMUJFWSA-N -1 0 368.434 -0.003 20 0 FBADRM NC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)C1 ZINC000662904435 483920950 /nfs/dbraw/zinc/92/09/50/483920950.db2.gz SXLIUBPBPJHASI-ZDUSSCGKSA-N -1 0 368.434 -0.003 20 0 FBADRM COCCN(Cc1ccco1)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662904474 483920582 /nfs/dbraw/zinc/92/05/82/483920582.db2.gz ULBDOYXVLJPZMW-SJKOYZFVSA-N -1 0 366.370 -0.186 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC(c3ncc[nH]3)CC1)C2 ZINC000662904538 483920339 /nfs/dbraw/zinc/92/03/39/483920339.db2.gz VMJJKFJPODIDFQ-SJKOYZFVSA-N -1 0 362.386 -0.325 20 0 FBADRM Cc1ncsc1CN(C)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662904571 483919993 /nfs/dbraw/zinc/91/99/93/483919993.db2.gz PHJCFJWVZKLFBD-MEBBXXQBSA-N -1 0 353.400 -0.030 20 0 FBADRM CC(C)(C)CN(CCCO)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662904619 483920964 /nfs/dbraw/zinc/92/09/64/483920964.db2.gz POQPHEHJWHFFBJ-SJKOYZFVSA-N -1 0 356.419 -0.197 20 0 FBADRM Cc1ncc(CN(C)C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)s1 ZINC000662904630 483920156 /nfs/dbraw/zinc/92/01/56/483920156.db2.gz WNSWDZMAOCDAKD-MEBBXXQBSA-N -1 0 353.400 -0.030 20 0 FBADRM CN(C)C(=O)N1CCN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CC1 ZINC000662904639 483920878 /nfs/dbraw/zinc/92/08/78/483920878.db2.gz WUQCXPYGKRFOGD-UHFFFAOYSA-N -1 0 368.434 -0.084 20 0 FBADRM C[C@@H](O)C[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662904649 483919943 /nfs/dbraw/zinc/91/99/43/483919943.db2.gz PWXHSYMIHJCRFM-HPTBWKMGSA-N -1 0 354.403 -0.302 20 0 FBADRM C[C@@H](O)C[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662904651 483920273 /nfs/dbraw/zinc/92/02/73/483920273.db2.gz PWXHSYMIHJCRFM-KOFHJDLBSA-N -1 0 354.403 -0.302 20 0 FBADRM C[C@H](O)C[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662904652 483920634 /nfs/dbraw/zinc/92/06/34/483920634.db2.gz PWXHSYMIHJCRFM-PFHKOEEOSA-N -1 0 354.403 -0.302 20 0 FBADRM C[C@H](O)C[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662904653 483920976 /nfs/dbraw/zinc/92/09/76/483920976.db2.gz PWXHSYMIHJCRFM-SFDCBXKLSA-N -1 0 354.403 -0.302 20 0 FBADRM COCCO[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662904655 483920027 /nfs/dbraw/zinc/92/00/27/483920027.db2.gz WYODHTFVWYOPCC-IIYDPXPESA-N -1 0 370.402 -0.800 20 0 FBADRM COCCO[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662904661 483920864 /nfs/dbraw/zinc/92/08/64/483920864.db2.gz WYODHTFVWYOPCC-PBFPGSCMSA-N -1 0 370.402 -0.800 20 0 FBADRM COCCOC1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000662904702 483920021 /nfs/dbraw/zinc/92/00/21/483920021.db2.gz QMPLQLNEWLKKJE-SJKOYZFVSA-N -1 0 370.402 -0.800 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC([C@H]3CCCO3)CC1)C2 ZINC000662904887 483920856 /nfs/dbraw/zinc/92/08/56/483920856.db2.gz VNHWROCLNADSJJ-HBUWYVDXSA-N -1 0 366.414 -0.036 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC([C@@H]3CCCO3)CC1)C2 ZINC000662904888 483920173 /nfs/dbraw/zinc/92/01/73/483920173.db2.gz VNHWROCLNADSJJ-QWQRMKEZSA-N -1 0 366.414 -0.036 20 0 FBADRM CCOC[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662904968 483920039 /nfs/dbraw/zinc/92/00/39/483920039.db2.gz XRBGQZHZIXILIF-OGHNNQOOSA-N -1 0 354.403 -0.179 20 0 FBADRM CCOC[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662904969 483919876 /nfs/dbraw/zinc/91/98/76/483919876.db2.gz XRBGQZHZIXILIF-PBFPGSCMSA-N -1 0 354.403 -0.179 20 0 FBADRM COCCN(CC(F)F)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662904970 483920594 /nfs/dbraw/zinc/92/05/94/483920594.db2.gz XRKNYYSWHMMIGS-YMTOWFKASA-N -1 0 350.318 -0.714 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCCC3(CCOCC3)C1)C2 ZINC000662905026 483920318 /nfs/dbraw/zinc/92/03/18/483920318.db2.gz ZPCWAYANQREZRR-FZKQIMNGSA-N -1 0 366.414 -0.035 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@@]3(CCOC3)C1)C2 ZINC000662905056 483920516 /nfs/dbraw/zinc/92/05/16/483920516.db2.gz AXHPINKJETZXQY-CSMYWGQOSA-N -1 0 352.387 -0.425 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@]3(CCOC3)C1)C2 ZINC000662905057 483920615 /nfs/dbraw/zinc/92/06/15/483920615.db2.gz AXHPINKJETZXQY-OAUYIBNBSA-N -1 0 352.387 -0.425 20 0 FBADRM CC(C)(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO1 ZINC000662905098 483919884 /nfs/dbraw/zinc/91/98/84/483919884.db2.gz BYAATSIPZQPFNA-BWACUDIHSA-N -1 0 354.403 -0.181 20 0 FBADRM CC(C)(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO1 ZINC000662905099 483919986 /nfs/dbraw/zinc/91/99/86/483919986.db2.gz BYAATSIPZQPFNA-PSTGCABASA-N -1 0 354.403 -0.181 20 0 FBADRM CC(C)OC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO1 ZINC000662905151 483920528 /nfs/dbraw/zinc/92/05/28/483920528.db2.gz AJICMVLQTXAKCQ-IIYDPXPESA-N -1 0 370.402 -0.802 20 0 FBADRM CC(C)OC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO1 ZINC000662905152 483920603 /nfs/dbraw/zinc/92/06/03/483920603.db2.gz AJICMVLQTXAKCQ-PBFPGSCMSA-N -1 0 370.402 -0.802 20 0 FBADRM CN(C[C@H]1CCCC[C@H]1O)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662905161 483920425 /nfs/dbraw/zinc/92/04/25/483920425.db2.gz AWSPLOJRHQEIBT-HPTBWKMGSA-N -1 0 354.403 -0.445 20 0 FBADRM CN(C[C@H]1CCCC[C@@H]1O)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662905162 483920416 /nfs/dbraw/zinc/92/04/16/483920416.db2.gz AWSPLOJRHQEIBT-KOFHJDLBSA-N -1 0 354.403 -0.445 20 0 FBADRM CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662905163 483920740 /nfs/dbraw/zinc/92/07/40/483920740.db2.gz AWSPLOJRHQEIBT-PFHKOEEOSA-N -1 0 354.403 -0.445 20 0 FBADRM CN(C[C@@H]1CCCC[C@H]1O)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662905164 483920755 /nfs/dbraw/zinc/92/07/55/483920755.db2.gz AWSPLOJRHQEIBT-SFDCBXKLSA-N -1 0 354.403 -0.445 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC3(C1)CCOCC3)C2 ZINC000662905263 483919970 /nfs/dbraw/zinc/91/99/70/483919970.db2.gz APCMAGHHYFQLLZ-SJKOYZFVSA-N -1 0 352.387 -0.425 20 0 FBADRM CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662905354 483920285 /nfs/dbraw/zinc/92/02/85/483920285.db2.gz BAQJKONZHZKHGQ-BWACUDIHSA-N -1 0 367.402 -0.985 20 0 FBADRM CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662905356 483919979 /nfs/dbraw/zinc/91/99/79/483919979.db2.gz BAQJKONZHZKHGQ-PSTGCABASA-N -1 0 367.402 -0.985 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@H]([C@H]3CCOC3)C1)C2 ZINC000662905365 483920623 /nfs/dbraw/zinc/92/06/23/483920623.db2.gz BGADCTPLVPGZGW-APNQJHFZSA-N -1 0 352.387 -0.569 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@@H]([C@@H]3CCOC3)C1)C2 ZINC000662905367 483920870 /nfs/dbraw/zinc/92/08/70/483920870.db2.gz BGADCTPLVPGZGW-HPTBWKMGSA-N -1 0 352.387 -0.569 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@@H]([C@H]3CCOC3)C1)C2 ZINC000662905369 483920046 /nfs/dbraw/zinc/92/00/46/483920046.db2.gz BGADCTPLVPGZGW-IPJQOSJUSA-N -1 0 352.387 -0.569 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@H]([C@@H]3CCOC3)C1)C2 ZINC000662905371 483920145 /nfs/dbraw/zinc/92/01/45/483920145.db2.gz BGADCTPLVPGZGW-SFDCBXKLSA-N -1 0 352.387 -0.569 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCO[C@H](c3ccco3)C1)C2 ZINC000662905601 483920560 /nfs/dbraw/zinc/92/05/60/483920560.db2.gz FHKHTQWUEYOCMW-BTJLNZGRSA-N -1 0 364.354 -0.261 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCO[C@@H](c3ccco3)C1)C2 ZINC000662905604 483922173 /nfs/dbraw/zinc/92/21/73/483922173.db2.gz FHKHTQWUEYOCMW-CJBNDPTMSA-N -1 0 364.354 -0.261 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H](OCC3CC3)C1)C2 ZINC000662905606 483919962 /nfs/dbraw/zinc/91/99/62/483919962.db2.gz DHDVOAOENDETGI-HBUWYVDXSA-N -1 0 366.414 -0.036 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@H](OCC3CC3)C1)C2 ZINC000662905608 483920254 /nfs/dbraw/zinc/92/02/54/483920254.db2.gz DHDVOAOENDETGI-QWQRMKEZSA-N -1 0 366.414 -0.036 20 0 FBADRM CN(CCC1CCOCC1)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662905647 483921883 /nfs/dbraw/zinc/92/18/83/483921883.db2.gz DVZGYVDOTSFTMA-CXAGYDPISA-N -1 0 354.403 -0.179 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@@H](C3CCOCC3)C1)C2 ZINC000662905781 483922257 /nfs/dbraw/zinc/92/22/57/483922257.db2.gz FSFNHNCCMVHZOV-HBUWYVDXSA-N -1 0 366.414 -0.179 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@H](C3CCOCC3)C1)C2 ZINC000662905783 483922316 /nfs/dbraw/zinc/92/23/16/483922316.db2.gz FSFNHNCCMVHZOV-PMUMKWKESA-N -1 0 366.414 -0.179 20 0 FBADRM CC[C@@]1(CO)CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662905866 483922129 /nfs/dbraw/zinc/92/21/29/483922129.db2.gz HVDHPVGSJUKLNS-CSMYWGQOSA-N -1 0 354.403 -0.443 20 0 FBADRM CC[C@]1(CO)CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662905870 483922210 /nfs/dbraw/zinc/92/22/10/483922210.db2.gz HVDHPVGSJUKLNS-OAUYIBNBSA-N -1 0 354.403 -0.443 20 0 FBADRM O=C([O-])CCC1CCN(C(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000662905899 483922201 /nfs/dbraw/zinc/92/22/01/483922201.db2.gz HZMJZRTVBNSLGC-CHWSQXEVSA-N -1 0 351.403 -0.173 20 0 FBADRM CON1CCC(N(C)C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000662906176 483922113 /nfs/dbraw/zinc/92/21/13/483922113.db2.gz KNBASHGHLALHOA-BDJLRTHQSA-N -1 0 355.391 -0.970 20 0 FBADRM COC[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000662906192 483922030 /nfs/dbraw/zinc/92/20/30/483922030.db2.gz KSFFNGLMUGVYMB-OGHNNQOOSA-N -1 0 354.403 -0.179 20 0 FBADRM COC[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000662906194 483921927 /nfs/dbraw/zinc/92/19/27/483921927.db2.gz KSFFNGLMUGVYMB-PBFPGSCMSA-N -1 0 354.403 -0.179 20 0 FBADRM CN(CCc1nccs1)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662906319 483922010 /nfs/dbraw/zinc/92/20/10/483922010.db2.gz IEMQCBLJMAQYKL-MEBBXXQBSA-N -1 0 353.400 -0.296 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCc3cc[nH]c(=O)c3C1)C2 ZINC000662906448 483922309 /nfs/dbraw/zinc/92/23/09/483922309.db2.gz LRBQXYFEEDLWGA-PIGZYNQJSA-N -1 0 361.354 -0.769 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1C[C@H](O)C[C@H]1c1ccccc1)C2 ZINC000662906518 483922186 /nfs/dbraw/zinc/92/21/86/483922186.db2.gz MEPLRCZNPIRIGF-BKEDOTJMSA-N -1 0 374.393 -0.120 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1C[C@H](O)C[C@@H]1c1ccccc1)C2 ZINC000662906520 483922159 /nfs/dbraw/zinc/92/21/59/483922159.db2.gz MEPLRCZNPIRIGF-DEXNDLTESA-N -1 0 374.393 -0.120 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1C[C@@H](O)C[C@H]1c1ccccc1)C2 ZINC000662906523 483921464 /nfs/dbraw/zinc/92/14/64/483921464.db2.gz MEPLRCZNPIRIGF-MMMWYMCRSA-N -1 0 374.393 -0.120 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1C[C@@H](O)C[C@@H]1c1ccccc1)C2 ZINC000662906525 483922178 /nfs/dbraw/zinc/92/21/78/483922178.db2.gz MEPLRCZNPIRIGF-NXEZDXNNSA-N -1 0 374.393 -0.120 20 0 FBADRM Cc1c(CN(C)C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cnn1C ZINC000662906653 483921567 /nfs/dbraw/zinc/92/15/67/483921567.db2.gz NMZSEQHWXMGPOF-MLGOLLRUSA-N -1 0 350.375 -0.753 20 0 FBADRM CCCCCOC1CN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662906708 483921976 /nfs/dbraw/zinc/92/19/76/483921976.db2.gz PZMQPGFGUUMOPA-SJKOYZFVSA-N -1 0 354.403 -0.036 20 0 FBADRM COc1ccc(CN(C)C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC000662906711 483921634 /nfs/dbraw/zinc/92/16/34/483921634.db2.gz KNCLWVMZQUVVIF-SJKOYZFVSA-N -1 0 363.370 -0.392 20 0 FBADRM CCC[C@]1(CO)CCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662906823 483921554 /nfs/dbraw/zinc/92/15/54/483921554.db2.gz ADFKRLVMNLABFT-CSMYWGQOSA-N -1 0 354.403 -0.300 20 0 FBADRM CCC[C@@]1(CO)CCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662906824 483921495 /nfs/dbraw/zinc/92/14/95/483921495.db2.gz ADFKRLVMNLABFT-OAUYIBNBSA-N -1 0 354.403 -0.300 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCO[C@H](C3CCC3)C1)C2 ZINC000662906920 483922243 /nfs/dbraw/zinc/92/22/43/483922243.db2.gz NYFJUDPYYPFTAP-IIYDPXPESA-N -1 0 352.387 -0.427 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCO[C@@H](C3CCC3)C1)C2 ZINC000662906921 483921776 /nfs/dbraw/zinc/92/17/76/483921776.db2.gz NYFJUDPYYPFTAP-PBFPGSCMSA-N -1 0 352.387 -0.427 20 0 FBADRM O=C([O-])CCC1CCN(C(=O)C(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)CC1 ZINC000662906941 483922233 /nfs/dbraw/zinc/92/22/33/483922233.db2.gz OFQSEKHKMKPZNB-STQMWFEESA-N -1 0 367.402 -0.794 20 0 FBADRM COCCN1CCN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CC1=O ZINC000662907077 483921697 /nfs/dbraw/zinc/92/16/97/483921697.db2.gz CYVPSCAGDXVRDI-UHFFFAOYSA-N -1 0 369.418 -0.593 20 0 FBADRM Cn1cnnc1[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662907093 483922034 /nfs/dbraw/zinc/92/20/34/483922034.db2.gz QXWYOSGNENKHHM-GLKRBJQHSA-N -1 0 363.374 -0.962 20 0 FBADRM Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662907109 483922091 /nfs/dbraw/zinc/92/20/91/483922091.db2.gz QXWYOSGNENKHHM-OHUAYANFSA-N -1 0 363.374 -0.962 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@H](C2CC2)O1 ZINC000662907432 483922246 /nfs/dbraw/zinc/92/22/46/483922246.db2.gz OMHAAWKOEYIDLK-BMGIQWSVSA-N -1 0 352.387 -0.428 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@H](C2CC2)O1 ZINC000662907433 483922071 /nfs/dbraw/zinc/92/20/71/483922071.db2.gz OMHAAWKOEYIDLK-CNEMSGBDSA-N -1 0 352.387 -0.428 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@@H](C2CC2)O1 ZINC000662907434 483922270 /nfs/dbraw/zinc/92/22/70/483922270.db2.gz OMHAAWKOEYIDLK-MMPOEDRJSA-N -1 0 352.387 -0.428 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@@H](C2CC2)O1 ZINC000662907436 483921869 /nfs/dbraw/zinc/92/18/69/483921869.db2.gz OMHAAWKOEYIDLK-YRZLHWLASA-N -1 0 352.387 -0.428 20 0 FBADRM CCOC[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662907493 483922022 /nfs/dbraw/zinc/92/20/22/483922022.db2.gz QRJKRDYBOQFSNC-IIYDPXPESA-N -1 0 354.403 -0.036 20 0 FBADRM CCOC[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662907495 483922265 /nfs/dbraw/zinc/92/22/65/483922265.db2.gz QRJKRDYBOQFSNC-PBFPGSCMSA-N -1 0 354.403 -0.036 20 0 FBADRM COCCCOCCN(C)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662907543 483922169 /nfs/dbraw/zinc/92/21/69/483922169.db2.gz PNRRYOYFJLONHE-MLGOLLRUSA-N -1 0 358.391 -0.943 20 0 FBADRM CCCN1CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1=O ZINC000662907557 483921609 /nfs/dbraw/zinc/92/16/09/483921609.db2.gz PSDNEKPGGWMTOJ-SJKOYZFVSA-N -1 0 367.402 -0.983 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC(O)(C(F)F)CC1)C2 ZINC000662907589 483922084 /nfs/dbraw/zinc/92/20/84/483922084.db2.gz SEFGFOWDESPWIV-YMTOWFKASA-N -1 0 362.329 -0.835 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC(F)(F)C(F)(F)C1)C2 ZINC000662907595 483921792 /nfs/dbraw/zinc/92/17/92/483921792.db2.gz SNGMTNBNXIPZGJ-RDDDGLTNSA-N -1 0 354.256 -0.341 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC(c3ccncn3)CC1)C2 ZINC000662907612 483921753 /nfs/dbraw/zinc/92/17/53/483921753.db2.gz SXYOJVRMASPPKY-FZKQIMNGSA-N -1 0 374.397 -0.258 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@H]([C@@H]3CCOC3)C1)C2 ZINC000662907624 483922064 /nfs/dbraw/zinc/92/20/64/483922064.db2.gz FJTSQPBNUHYLBR-HNSFDTNUSA-N -1 0 366.414 -0.179 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H]([C@H]3CCOC3)C1)C2 ZINC000662907625 483922120 /nfs/dbraw/zinc/92/21/20/483922120.db2.gz FJTSQPBNUHYLBR-KYZVSKTDSA-N -1 0 366.414 -0.179 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H]([C@@H]3CCOC3)C1)C2 ZINC000662907626 483921613 /nfs/dbraw/zinc/92/16/13/483921613.db2.gz FJTSQPBNUHYLBR-UHQDVWGKSA-N -1 0 366.414 -0.179 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@H]([C@H]3CCOC3)C1)C2 ZINC000662907627 483921455 /nfs/dbraw/zinc/92/14/55/483921455.db2.gz FJTSQPBNUHYLBR-UYAYXHRUSA-N -1 0 366.414 -0.179 20 0 FBADRM CC(C)CO[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662907682 483921968 /nfs/dbraw/zinc/92/19/68/483921968.db2.gz FSRLZVLTKKHARM-IIYDPXPESA-N -1 0 354.403 -0.181 20 0 FBADRM CC(C)CO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662907683 483922297 /nfs/dbraw/zinc/92/22/97/483922297.db2.gz FSRLZVLTKKHARM-PBFPGSCMSA-N -1 0 354.403 -0.181 20 0 FBADRM COCCOC[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662907825 483922275 /nfs/dbraw/zinc/92/22/75/483922275.db2.gz XXLDVLXEEGWUTB-OGHNNQOOSA-N -1 0 370.402 -0.943 20 0 FBADRM COCCOC[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662907830 483921812 /nfs/dbraw/zinc/92/18/12/483921812.db2.gz XXLDVLXEEGWUTB-PBFPGSCMSA-N -1 0 370.402 -0.943 20 0 FBADRM COCC1(C)CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000662907999 483921483 /nfs/dbraw/zinc/92/14/83/483921483.db2.gz RSXCHURAQXCQNL-SJKOYZFVSA-N -1 0 354.403 -0.179 20 0 FBADRM CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662908060 483921918 /nfs/dbraw/zinc/92/19/18/483921918.db2.gz VBDUQLWGBDDQKM-BWACUDIHSA-N -1 0 367.402 -0.938 20 0 FBADRM CC(C)N(C[C@H]1CCC(=O)N1)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662908061 483922125 /nfs/dbraw/zinc/92/21/25/483922125.db2.gz VBDUQLWGBDDQKM-PSTGCABASA-N -1 0 367.402 -0.938 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@@]3(CCCOC3)C1)C2 ZINC000662908209 483921675 /nfs/dbraw/zinc/92/16/75/483921675.db2.gz HCRXBYRRACXFBC-FSPWUOQZSA-N -1 0 366.414 -0.035 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@]3(CCCOC3)C1)C2 ZINC000662908210 483922078 /nfs/dbraw/zinc/92/20/78/483922078.db2.gz HCRXBYRRACXFBC-JEBQAFNWSA-N -1 0 366.414 -0.035 20 0 FBADRM CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662908235 483921534 /nfs/dbraw/zinc/92/15/34/483921534.db2.gz HNVSIESEGVEUJJ-IIYDPXPESA-N -1 0 353.419 -0.655 20 0 FBADRM CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662908236 483921592 /nfs/dbraw/zinc/92/15/92/483921592.db2.gz HNVSIESEGVEUJJ-PBFPGSCMSA-N -1 0 353.419 -0.655 20 0 FBADRM C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662908264 483922057 /nfs/dbraw/zinc/92/20/57/483922057.db2.gz SIPNETCKWZAYLW-CZIZLABSSA-N -1 0 369.418 -0.692 20 0 FBADRM C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662908289 483922004 /nfs/dbraw/zinc/92/20/04/483922004.db2.gz SIPNETCKWZAYLW-WVQJBOLRSA-N -1 0 369.418 -0.692 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CCO1 ZINC000662908325 483921819 /nfs/dbraw/zinc/92/18/19/483921819.db2.gz SUHXKRBXMKMKKT-GFCCVEGCSA-N -1 0 355.391 -0.937 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CCO1 ZINC000662908326 483922193 /nfs/dbraw/zinc/92/21/93/483922193.db2.gz SUHXKRBXMKMKKT-LBPRGKRZSA-N -1 0 355.391 -0.937 20 0 FBADRM Cc1nccn1CCCN(C)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662908394 483922322 /nfs/dbraw/zinc/92/23/22/483922322.db2.gz UGOZTXIIBNWXCD-CXAGYDPISA-N -1 0 364.402 -0.400 20 0 FBADRM CCOCCOCCN(C)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662908557 483922250 /nfs/dbraw/zinc/92/22/50/483922250.db2.gz UUSJMZLLOASTFS-MLGOLLRUSA-N -1 0 358.391 -0.943 20 0 FBADRM CN(CCCn1ccnc1)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662908588 483921902 /nfs/dbraw/zinc/92/19/02/483921902.db2.gz VEOQXRIDDUMTFZ-MLGOLLRUSA-N -1 0 350.375 -0.709 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H]1C1CCOCC1)C2 ZINC000662908634 483922043 /nfs/dbraw/zinc/92/20/43/483922043.db2.gz HUPLDUFHVHYYKK-HBUWYVDXSA-N -1 0 366.414 -0.036 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@H]1C1CCOCC1)C2 ZINC000662908640 483921686 /nfs/dbraw/zinc/92/16/86/483921686.db2.gz HUPLDUFHVHYYKK-QWQRMKEZSA-N -1 0 366.414 -0.036 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCOCC3(CCC3)C1)C2 ZINC000662908759 483921784 /nfs/dbraw/zinc/92/17/84/483921784.db2.gz IEGCBKFRJADUNL-SJKOYZFVSA-N -1 0 352.387 -0.425 20 0 FBADRM CC(C)C[C@@]1(CO)CCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662908790 483921762 /nfs/dbraw/zinc/92/17/62/483921762.db2.gz IHTGOCYMGQPCLT-FSPWUOQZSA-N -1 0 368.430 -0.054 20 0 FBADRM CC(C)C[C@]1(CO)CCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662908791 483922205 /nfs/dbraw/zinc/92/22/05/483922205.db2.gz IHTGOCYMGQPCLT-JEBQAFNWSA-N -1 0 368.430 -0.054 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCc3ncsc3C1)C2 ZINC000662909064 483922284 /nfs/dbraw/zinc/92/22/84/483922284.db2.gz XZVRIYHRZDUJHA-RFAUZJTJSA-N -1 0 351.384 -0.413 20 0 FBADRM O=C([O-])CCC1CCN(C(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000662909328 483922266 /nfs/dbraw/zinc/92/22/66/483922266.db2.gz ZSXQMNCRIXFZNI-GFCCVEGCSA-N -1 0 352.391 -0.674 20 0 FBADRM O=C([O-])CCC1CCN(C(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000662909331 483922291 /nfs/dbraw/zinc/92/22/91/483922291.db2.gz ZSXQMNCRIXFZNI-LBPRGKRZSA-N -1 0 352.391 -0.674 20 0 FBADRM CCN1C[C@H](C)N(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@@H]1C ZINC000662909487 483922332 /nfs/dbraw/zinc/92/23/32/483922332.db2.gz MRDCWUZNFZITFW-APNQJHFZSA-N -1 0 353.419 -0.513 20 0 FBADRM CCN1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@H]1C ZINC000662909488 483921642 /nfs/dbraw/zinc/92/16/42/483921642.db2.gz MRDCWUZNFZITFW-HPTBWKMGSA-N -1 0 353.419 -0.513 20 0 FBADRM CCN1C[C@H](C)N(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@H]1C ZINC000662909489 483921728 /nfs/dbraw/zinc/92/17/28/483921728.db2.gz MRDCWUZNFZITFW-IPJQOSJUSA-N -1 0 353.419 -0.513 20 0 FBADRM CCN1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@@H]1C ZINC000662909490 483923415 /nfs/dbraw/zinc/92/34/15/483923415.db2.gz MRDCWUZNFZITFW-SFDCBXKLSA-N -1 0 353.419 -0.513 20 0 FBADRM CCC1(CO)CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000662909502 483923295 /nfs/dbraw/zinc/92/32/95/483923295.db2.gz MXUZXUMUGMZKFZ-SJKOYZFVSA-N -1 0 354.403 -0.443 20 0 FBADRM C[C@]1(CCCO)CCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662909707 483923458 /nfs/dbraw/zinc/92/34/58/483923458.db2.gz LTRRFFGODOAOTG-CSMYWGQOSA-N -1 0 354.403 -0.300 20 0 FBADRM C[C@@]1(CCCO)CCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662909708 483923326 /nfs/dbraw/zinc/92/33/26/483923326.db2.gz LTRRFFGODOAOTG-OAUYIBNBSA-N -1 0 354.403 -0.300 20 0 FBADRM O=C([O-])CCC1CCN(C(=O)C(=O)N2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC000662910113 483923204 /nfs/dbraw/zinc/92/32/04/483923204.db2.gz NHUSRXDXNVFJFC-KRWDZBQOSA-N -1 0 351.403 -0.172 20 0 FBADRM O=C([O-])CCC1CCN(C(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000662910132 483923080 /nfs/dbraw/zinc/92/30/80/483923080.db2.gz NHUSRXDXNVFJFC-QGZVFWFLSA-N -1 0 351.403 -0.172 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)C[C@@H]1C(=O)[O-] ZINC000662910361 483923274 /nfs/dbraw/zinc/92/32/74/483923274.db2.gz NOOSADHYWOJROA-AGIUHOORSA-N -1 0 368.434 -0.230 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)C[C@H]1C(=O)[O-] ZINC000662910364 483923489 /nfs/dbraw/zinc/92/34/89/483923489.db2.gz NOOSADHYWOJROA-FRRDWIJNSA-N -1 0 368.434 -0.230 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)C[C@H]1C(=O)[O-] ZINC000662910365 483923157 /nfs/dbraw/zinc/92/31/57/483923157.db2.gz NOOSADHYWOJROA-JHJVBQTASA-N -1 0 368.434 -0.230 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)C[C@@H]1C(=O)[O-] ZINC000662910367 483923114 /nfs/dbraw/zinc/92/31/14/483923114.db2.gz NOOSADHYWOJROA-UPJWGTAASA-N -1 0 368.434 -0.230 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1)C2 ZINC000662910408 483923497 /nfs/dbraw/zinc/92/34/97/483923497.db2.gz RYSVZMUMESBZHJ-BZHVJNSISA-N -1 0 366.292 -0.928 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)C1 ZINC000662910505 483923270 /nfs/dbraw/zinc/92/32/70/483923270.db2.gz OLWVQRMAILMXSV-FVCCEPFGSA-N -1 0 351.403 -0.317 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)C1 ZINC000662910506 483923257 /nfs/dbraw/zinc/92/32/57/483923257.db2.gz OLWVQRMAILMXSV-MROQNXINSA-N -1 0 351.403 -0.317 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1 ZINC000662910507 483922902 /nfs/dbraw/zinc/92/29/02/483922902.db2.gz OLWVQRMAILMXSV-NDBYEHHHSA-N -1 0 351.403 -0.317 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)C1 ZINC000662910508 483923438 /nfs/dbraw/zinc/92/34/38/483923438.db2.gz OLWVQRMAILMXSV-VOAKCMCISA-N -1 0 351.403 -0.317 20 0 FBADRM C[C@H](CO)C1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000662910614 483922826 /nfs/dbraw/zinc/92/28/26/483922826.db2.gz ATJMQDLXFHYMOR-CJBNDPTMSA-N -1 0 354.403 -0.587 20 0 FBADRM C[C@@H](CO)C1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000662910615 483922946 /nfs/dbraw/zinc/92/29/46/483922946.db2.gz ATJMQDLXFHYMOR-XTQGRXLLSA-N -1 0 354.403 -0.587 20 0 FBADRM CC(C)O[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662910638 483923120 /nfs/dbraw/zinc/92/31/20/483923120.db2.gz BFRLUZZYYXDIEE-IIYDPXPESA-N -1 0 354.403 -0.038 20 0 FBADRM CC(C)O[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662910640 483922927 /nfs/dbraw/zinc/92/29/27/483922927.db2.gz BFRLUZZYYXDIEE-PBFPGSCMSA-N -1 0 354.403 -0.038 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1)C2 ZINC000662910707 483923012 /nfs/dbraw/zinc/92/30/12/483923012.db2.gz RYSVZMUMESBZHJ-WQHBLYJGSA-N -1 0 366.292 -0.928 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H]1[C@H]1CCCOC1)C2 ZINC000662911030 483923405 /nfs/dbraw/zinc/92/34/05/483923405.db2.gz QQUSPKZSBFTSHN-HNSFDTNUSA-N -1 0 366.414 -0.036 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@H]1[C@H]1CCCOC1)C2 ZINC000662911032 483922980 /nfs/dbraw/zinc/92/29/80/483922980.db2.gz QQUSPKZSBFTSHN-MOROJQBDSA-N -1 0 366.414 -0.036 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H]1[C@@H]1CCCOC1)C2 ZINC000662911035 483923241 /nfs/dbraw/zinc/92/32/41/483923241.db2.gz QQUSPKZSBFTSHN-UHQDVWGKSA-N -1 0 366.414 -0.036 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@H]1[C@@H]1CCCOC1)C2 ZINC000662911039 483923199 /nfs/dbraw/zinc/92/31/99/483923199.db2.gz QQUSPKZSBFTSHN-ZUMXRPEOSA-N -1 0 366.414 -0.036 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@H](n3ccnn3)C1)C2 ZINC000662911139 483923470 /nfs/dbraw/zinc/92/34/70/483923470.db2.gz RVMBFEKZJPXGGS-BFQNTYOBSA-N -1 0 363.374 -0.999 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H](n3ccnn3)C1)C2 ZINC000662911142 483922849 /nfs/dbraw/zinc/92/28/49/483922849.db2.gz RVMBFEKZJPXGGS-XHBSWPGZSA-N -1 0 363.374 -0.999 20 0 FBADRM C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662911229 483923393 /nfs/dbraw/zinc/92/33/93/483923393.db2.gz DSVKSRQCGUUDKT-HPTBWKMGSA-N -1 0 354.403 -0.445 20 0 FBADRM C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662911230 483922974 /nfs/dbraw/zinc/92/29/74/483922974.db2.gz DSVKSRQCGUUDKT-KOFHJDLBSA-N -1 0 354.403 -0.445 20 0 FBADRM C[C@@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662911231 483923226 /nfs/dbraw/zinc/92/32/26/483923226.db2.gz DSVKSRQCGUUDKT-PFHKOEEOSA-N -1 0 354.403 -0.445 20 0 FBADRM C[C@@H](CO)[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662911232 483923370 /nfs/dbraw/zinc/92/33/70/483923370.db2.gz DSVKSRQCGUUDKT-SFDCBXKLSA-N -1 0 354.403 -0.445 20 0 FBADRM CN(C)C(=O)NCCN(C)C(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000662911575 483922795 /nfs/dbraw/zinc/92/27/95/483922795.db2.gz RZPIOPJLODPNDR-UHFFFAOYSA-N -1 0 356.423 -0.181 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC(OCC3CC3)CC1)C2 ZINC000662911793 483923301 /nfs/dbraw/zinc/92/33/01/483923301.db2.gz VFVQPSMUKMPGHA-FZKQIMNGSA-N -1 0 366.414 -0.036 20 0 FBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C1 ZINC000662911837 483922952 /nfs/dbraw/zinc/92/29/52/483922952.db2.gz WDMYADDNCKXUII-GFCCVEGCSA-N -1 0 368.434 -0.086 20 0 FBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C1 ZINC000662911844 483923408 /nfs/dbraw/zinc/92/34/08/483923408.db2.gz WDMYADDNCKXUII-LBPRGKRZSA-N -1 0 368.434 -0.086 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@@H](c3cccnc3)C1)C2 ZINC000662911919 483923265 /nfs/dbraw/zinc/92/32/65/483923265.db2.gz XHDFMIONLJRIJB-HBUWYVDXSA-N -1 0 359.382 -0.043 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@H](c3cccnc3)C1)C2 ZINC000662911923 483923432 /nfs/dbraw/zinc/92/34/32/483923432.db2.gz XHDFMIONLJRIJB-PMUMKWKESA-N -1 0 359.382 -0.043 20 0 FBADRM CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCN1C ZINC000662912089 483923447 /nfs/dbraw/zinc/92/34/47/483923447.db2.gz WVVYEAXGKIZANB-IIYDPXPESA-N -1 0 353.419 -0.655 20 0 FBADRM Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662912124 483923342 /nfs/dbraw/zinc/92/33/42/483923342.db2.gz TZDWGWIMQUSYRF-PSTGCABASA-N -1 0 362.386 -0.704 20 0 FBADRM Cn1ccnc1[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662912127 483923022 /nfs/dbraw/zinc/92/30/22/483923022.db2.gz TZDWGWIMQUSYRF-XWCIJXRUSA-N -1 0 362.386 -0.704 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[C@H](CC)CO1 ZINC000662912210 483923128 /nfs/dbraw/zinc/92/31/28/483923128.db2.gz JGRKKNBLMQZSPS-HPTBWKMGSA-N -1 0 354.403 -0.038 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[C@@H](CC)CO1 ZINC000662912212 483923365 /nfs/dbraw/zinc/92/33/65/483923365.db2.gz JGRKKNBLMQZSPS-IPJQOSJUSA-N -1 0 354.403 -0.038 20 0 FBADRM CC[C@@H]1CO[C@@H](CC)CN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662912213 483923359 /nfs/dbraw/zinc/92/33/59/483923359.db2.gz JGRKKNBLMQZSPS-KOFHJDLBSA-N -1 0 354.403 -0.038 20 0 FBADRM CC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[C@@H](CC)CO1 ZINC000662912215 483923532 /nfs/dbraw/zinc/92/35/32/483923532.db2.gz JGRKKNBLMQZSPS-ZOPJHEKZSA-N -1 0 354.403 -0.038 20 0 FBADRM CCOCCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662912260 483923464 /nfs/dbraw/zinc/92/34/64/483923464.db2.gz UVEFYXNIONIFKM-IIYDPXPESA-N -1 0 370.402 -0.800 20 0 FBADRM COC[C@H]1CCCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662912275 483923399 /nfs/dbraw/zinc/92/33/99/483923399.db2.gz VJIUYMJYVYRWPF-OGHNNQOOSA-N -1 0 354.403 -0.179 20 0 FBADRM COC[C@@H]1CCCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662912276 483923305 /nfs/dbraw/zinc/92/33/05/483923305.db2.gz VJIUYMJYVYRWPF-PBFPGSCMSA-N -1 0 354.403 -0.179 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)C[C@H]1C(=O)[O-] ZINC000662912304 483923320 /nfs/dbraw/zinc/92/33/20/483923320.db2.gz YHLRTEOKACTJMR-LPWJVIDDSA-N -1 0 351.403 -0.317 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)C[C@@H]1C(=O)[O-] ZINC000662912305 483923354 /nfs/dbraw/zinc/92/33/54/483923354.db2.gz YHLRTEOKACTJMR-NDBYEHHHSA-N -1 0 351.403 -0.317 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)C[C@@H]1C(=O)[O-] ZINC000662912306 483924293 /nfs/dbraw/zinc/92/42/93/483924293.db2.gz YHLRTEOKACTJMR-VOAKCMCISA-N -1 0 351.403 -0.317 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)C[C@H]1C(=O)[O-] ZINC000662912307 483923993 /nfs/dbraw/zinc/92/39/93/483923993.db2.gz YHLRTEOKACTJMR-XQHKEYJVSA-N -1 0 351.403 -0.317 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)C1 ZINC000662912353 483924505 /nfs/dbraw/zinc/92/45/05/483924505.db2.gz ZGKNYNICFOEHSQ-AGIUHOORSA-N -1 0 368.434 -0.230 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)C1 ZINC000662912354 483924304 /nfs/dbraw/zinc/92/43/04/483924304.db2.gz ZGKNYNICFOEHSQ-FRRDWIJNSA-N -1 0 368.434 -0.230 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)C1 ZINC000662912355 483924220 /nfs/dbraw/zinc/92/42/20/483924220.db2.gz ZGKNYNICFOEHSQ-JHJVBQTASA-N -1 0 368.434 -0.230 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)C1 ZINC000662912356 483924986 /nfs/dbraw/zinc/92/49/86/483924986.db2.gz ZGKNYNICFOEHSQ-UPJWGTAASA-N -1 0 368.434 -0.230 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C[C@@](C)(C(F)F)O1 ZINC000662912648 483924516 /nfs/dbraw/zinc/92/45/16/483924516.db2.gz HQKSOAAQYHDNPX-ITMYJUKJSA-N -1 0 350.318 -0.431 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C[C@@](C)(C(F)F)O1 ZINC000662912653 483924576 /nfs/dbraw/zinc/92/45/76/483924576.db2.gz HQKSOAAQYHDNPX-NUPCCRGMSA-N -1 0 350.318 -0.431 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C[C@](C)(C(F)F)O1 ZINC000662912657 483924436 /nfs/dbraw/zinc/92/44/36/483924436.db2.gz HQKSOAAQYHDNPX-RFXMVYNHSA-N -1 0 350.318 -0.431 20 0 FBADRM CC12CC(C1)CN2C(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000662912660 483924650 /nfs/dbraw/zinc/92/46/50/483924650.db2.gz LEWYVXXHMLIHEI-BJCXPLBRSA-N -1 0 363.414 -0.079 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C[C@](C)(C(F)F)O1 ZINC000662912661 483924101 /nfs/dbraw/zinc/92/41/01/483924101.db2.gz HQKSOAAQYHDNPX-TVLCNXBWSA-N -1 0 350.318 -0.431 20 0 FBADRM CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)C1 ZINC000662912788 483924784 /nfs/dbraw/zinc/92/47/84/483924784.db2.gz ZBRQWBMVRWKBAK-GFCCVEGCSA-N -1 0 360.432 -0.265 20 0 FBADRM CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)C1 ZINC000662912789 483923931 /nfs/dbraw/zinc/92/39/31/483923931.db2.gz ZBRQWBMVRWKBAK-LBPRGKRZSA-N -1 0 360.432 -0.265 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC(C3CCOCC3)C1)C2 ZINC000662912864 483924633 /nfs/dbraw/zinc/92/46/33/483924633.db2.gz ZUXOOXPLYGSRKU-CXAGYDPISA-N -1 0 352.387 -0.569 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC([C@@H]3CCOC3)CC1)C2 ZINC000662912902 483924077 /nfs/dbraw/zinc/92/40/77/483924077.db2.gz XQXHUEOYQGJWQT-HBUWYVDXSA-N -1 0 366.414 -0.179 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC([C@H]3CCOC3)CC1)C2 ZINC000662912903 483923960 /nfs/dbraw/zinc/92/39/60/483923960.db2.gz XQXHUEOYQGJWQT-PMUMKWKESA-N -1 0 366.414 -0.179 20 0 FBADRM CC12CC(C1)CN2C(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000662912915 483924446 /nfs/dbraw/zinc/92/44/46/483924446.db2.gz LEWYVXXHMLIHEI-LASWEOPPSA-N -1 0 363.414 -0.079 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)CCO1 ZINC000662913094 483924729 /nfs/dbraw/zinc/92/47/29/483924729.db2.gz KDGFJVHVSONUTH-AFAVFJNCSA-N -1 0 352.387 -0.282 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)CCO1 ZINC000662913096 483924869 /nfs/dbraw/zinc/92/48/69/483924869.db2.gz KDGFJVHVSONUTH-JLZZUVOBSA-N -1 0 352.387 -0.282 20 0 FBADRM C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)[C@@H]2C1 ZINC000662913149 483924586 /nfs/dbraw/zinc/92/45/86/483924586.db2.gz XWPKGEYUKRKGJV-HPTBWKMGSA-N -1 0 351.403 -0.901 20 0 FBADRM C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)[C@H]2C1 ZINC000662913150 483924920 /nfs/dbraw/zinc/92/49/20/483924920.db2.gz XWPKGEYUKRKGJV-KOFHJDLBSA-N -1 0 351.403 -0.901 20 0 FBADRM C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)[C@H]2C1 ZINC000662913151 483924656 /nfs/dbraw/zinc/92/46/56/483924656.db2.gz XWPKGEYUKRKGJV-PFHKOEEOSA-N -1 0 351.403 -0.901 20 0 FBADRM C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)[C@@H]2C1 ZINC000662913152 483924362 /nfs/dbraw/zinc/92/43/62/483924362.db2.gz XWPKGEYUKRKGJV-SFDCBXKLSA-N -1 0 351.403 -0.901 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCOCC3(CCCC3)C1)C2 ZINC000662913311 483924158 /nfs/dbraw/zinc/92/41/58/483924158.db2.gz ZEPDTERLEMHCNH-FZKQIMNGSA-N -1 0 366.414 -0.035 20 0 FBADRM CC(C)(C)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@H]1O ZINC000662913374 483924382 /nfs/dbraw/zinc/92/43/82/483924382.db2.gz ZJSJYOHUUHTWCE-JJFYZRJRSA-N -1 0 368.430 -0.199 20 0 FBADRM CC(C)(C)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@@H]1O ZINC000662913376 483924690 /nfs/dbraw/zinc/92/46/90/483924690.db2.gz ZJSJYOHUUHTWCE-OVSNFEJUSA-N -1 0 368.430 -0.199 20 0 FBADRM CC(C)(C)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@H]1O ZINC000662913377 483924699 /nfs/dbraw/zinc/92/46/99/483924699.db2.gz ZJSJYOHUUHTWCE-SJBDTSRBSA-N -1 0 368.430 -0.199 20 0 FBADRM CC(C)(C)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@@H]1O ZINC000662913378 483924464 /nfs/dbraw/zinc/92/44/64/483924464.db2.gz ZJSJYOHUUHTWCE-ZIVKBKJYSA-N -1 0 368.430 -0.199 20 0 FBADRM CCOc1ccc(N2CCN(C(=O)C(=O)N(C)CCC(=O)[O-])CC2)nn1 ZINC000662913490 483924324 /nfs/dbraw/zinc/92/43/24/483924324.db2.gz LLAYBJDGDMPYLL-UHFFFAOYSA-N -1 0 365.390 -0.543 20 0 FBADRM C[C@@H]1CC2(CN1C(=O)C(=O)N1C[C@@H]3COC[C@]3(C(=O)[O-])C1)CCOCC2 ZINC000662913628 483924899 /nfs/dbraw/zinc/92/48/99/483924899.db2.gz RLWGGWQMJIHVGA-SNUQEOBHSA-N -1 0 366.414 -0.036 20 0 FBADRM C[C@H]1CC2(CN1C(=O)C(=O)N1C[C@@H]3COC[C@]3(C(=O)[O-])C1)CCOCC2 ZINC000662913629 483923920 /nfs/dbraw/zinc/92/39/20/483923920.db2.gz RLWGGWQMJIHVGA-VEVIJQCQSA-N -1 0 366.414 -0.036 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)N3CC[C@@H]4C[C@@H]4C3)CC2)C1 ZINC000662913899 483924148 /nfs/dbraw/zinc/92/41/48/483924148.db2.gz UXHOWVMOHMOHTF-JHJVBQTASA-N -1 0 363.414 -0.221 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)N3CC[C@H]4C[C@H]4C3)CC2)C1 ZINC000662913900 483923853 /nfs/dbraw/zinc/92/38/53/483923853.db2.gz UXHOWVMOHMOHTF-RWMBFGLXSA-N -1 0 363.414 -0.221 20 0 FBADRM CC(C)(C)c1nnc2n1CCN(C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)C2 ZINC000662914127 483924830 /nfs/dbraw/zinc/92/48/30/483924830.db2.gz OBEMQOWBXURVSV-JTQLQIEISA-N -1 0 365.390 -0.770 20 0 FBADRM CC(C)(C)c1nnc2n1CCN(C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)C2 ZINC000662914128 483924496 /nfs/dbraw/zinc/92/44/96/483924496.db2.gz OBEMQOWBXURVSV-SNVBAGLBSA-N -1 0 365.390 -0.770 20 0 FBADRM CC(C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000662914326 483925002 /nfs/dbraw/zinc/92/50/02/483925002.db2.gz PUIRSGWRTPGWLO-NEPJUHHUSA-N -1 0 355.391 -0.938 20 0 FBADRM CC(C)NC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000662914327 483924949 /nfs/dbraw/zinc/92/49/49/483924949.db2.gz PUIRSGWRTPGWLO-NWDGAFQWSA-N -1 0 355.391 -0.938 20 0 FBADRM CC(C)NC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000662914329 483924459 /nfs/dbraw/zinc/92/44/59/483924459.db2.gz PUIRSGWRTPGWLO-RYUDHWBXSA-N -1 0 355.391 -0.938 20 0 FBADRM CC(C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000662914330 483924264 /nfs/dbraw/zinc/92/42/64/483924264.db2.gz PUIRSGWRTPGWLO-VXGBXAGGSA-N -1 0 355.391 -0.938 20 0 FBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000662914427 483924775 /nfs/dbraw/zinc/92/47/75/483924775.db2.gz RJOHLSWQGYSXTA-GFCCVEGCSA-N -1 0 354.407 -0.476 20 0 FBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000662914428 483924862 /nfs/dbraw/zinc/92/48/62/483924862.db2.gz RJOHLSWQGYSXTA-LBPRGKRZSA-N -1 0 354.407 -0.476 20 0 FBADRM CC[C@H](C)N1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000662914538 483924243 /nfs/dbraw/zinc/92/42/43/483924243.db2.gz HDCMRTWBXIPWLM-OGHNNQOOSA-N -1 0 353.419 -0.511 20 0 FBADRM CC[C@@H](C)N1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000662914542 483924606 /nfs/dbraw/zinc/92/46/06/483924606.db2.gz HDCMRTWBXIPWLM-PBFPGSCMSA-N -1 0 353.419 -0.511 20 0 FBADRM CCOC1CC2(C1)CCN(C(=O)C(=O)N1C[C@@H]3COC[C@]3(C(=O)[O-])C1)C2 ZINC000662914767 483924349 /nfs/dbraw/zinc/92/43/49/483924349.db2.gz FOKDPQJQAWACFW-AEYXLDPTSA-N -1 0 366.414 -0.036 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C[C@@H](CC(F)(F)F)O1 ZINC000662914980 483924942 /nfs/dbraw/zinc/92/49/42/483924942.db2.gz VNRVWJXETSUMNM-BBBLOLIVSA-N -1 0 368.308 -0.133 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C[C@H](CC(F)(F)F)O1 ZINC000662914981 483924535 /nfs/dbraw/zinc/92/45/35/483924535.db2.gz VNRVWJXETSUMNM-KXUCPTDWSA-N -1 0 368.308 -0.133 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C[C@@H](CC(F)(F)F)O1 ZINC000662914982 483924393 /nfs/dbraw/zinc/92/43/93/483924393.db2.gz VNRVWJXETSUMNM-OPRDCNLKSA-N -1 0 368.308 -0.133 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C[C@H](CC(F)(F)F)O1 ZINC000662914983 483924002 /nfs/dbraw/zinc/92/40/02/483924002.db2.gz VNRVWJXETSUMNM-UTLUCORTSA-N -1 0 368.308 -0.133 20 0 FBADRM CC(C)[C@]1(CO)CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662915070 483925009 /nfs/dbraw/zinc/92/50/09/483925009.db2.gz IVUIUHYWIDSCGY-FSPWUOQZSA-N -1 0 368.430 -0.197 20 0 FBADRM CC(C)[C@@]1(CO)CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662915071 483924401 /nfs/dbraw/zinc/92/44/01/483924401.db2.gz IVUIUHYWIDSCGY-JEBQAFNWSA-N -1 0 368.430 -0.197 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000662915146 483924620 /nfs/dbraw/zinc/92/46/20/483924620.db2.gz WKNJHSSFKIBWCA-YUMQZZPRSA-N -1 0 374.337 -0.647 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](CN3CCCC3=O)C2)C1 ZINC000662915202 483924543 /nfs/dbraw/zinc/92/45/43/483924543.db2.gz WVIIQNQPUAQLNO-CHWSQXEVSA-N -1 0 351.403 -0.220 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC000662915204 483924625 /nfs/dbraw/zinc/92/46/25/483924625.db2.gz WVIIQNQPUAQLNO-QWHCGFSZSA-N -1 0 351.403 -0.220 20 0 FBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1 ZINC000662915550 483924910 /nfs/dbraw/zinc/92/49/10/483924910.db2.gz ZFMMDXHPXDZYNP-CHWSQXEVSA-N -1 0 368.434 -0.086 20 0 FBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1 ZINC000662915552 483924170 /nfs/dbraw/zinc/92/41/70/483924170.db2.gz ZFMMDXHPXDZYNP-OLZOCXBDSA-N -1 0 368.434 -0.086 20 0 FBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC000662915554 483923867 /nfs/dbraw/zinc/92/38/67/483923867.db2.gz ZFMMDXHPXDZYNP-QWHCGFSZSA-N -1 0 368.434 -0.086 20 0 FBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC000662915556 483924674 /nfs/dbraw/zinc/92/46/74/483924674.db2.gz ZFMMDXHPXDZYNP-STQMWFEESA-N -1 0 368.434 -0.086 20 0 FBADRM CCC[C@@]1(CO)CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662915614 483924233 /nfs/dbraw/zinc/92/42/33/483924233.db2.gz OIWWXSNODSPQJK-CSMYWGQOSA-N -1 0 354.403 -0.443 20 0 FBADRM CCC[C@]1(CO)CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000662915615 483924682 /nfs/dbraw/zinc/92/46/82/483924682.db2.gz OIWWXSNODSPQJK-OAUYIBNBSA-N -1 0 354.403 -0.443 20 0 FBADRM CCc1nocc1CN(C)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662915621 483924642 /nfs/dbraw/zinc/92/46/42/483924642.db2.gz OMKVVXRUTMPKTK-BDJLRTHQSA-N -1 0 351.359 -0.245 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC(c3ccon3)CC1)C2 ZINC000662915637 483924838 /nfs/dbraw/zinc/92/48/38/483924838.db2.gz OPLSPNQJDNPFOJ-SJKOYZFVSA-N -1 0 363.370 -0.060 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CC(F)(F)F)C2)CCO1 ZINC000662915739 483924891 /nfs/dbraw/zinc/92/48/91/483924891.db2.gz ZRAUCRYJQSTDLK-BDAKNGLRSA-N -1 0 354.281 -0.522 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](CC(F)(F)F)C2)CCO1 ZINC000662915741 483924525 /nfs/dbraw/zinc/92/45/25/483924525.db2.gz ZRAUCRYJQSTDLK-DTWKUNHWSA-N -1 0 354.281 -0.522 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CC(F)(F)F)C2)CCO1 ZINC000662915743 483923948 /nfs/dbraw/zinc/92/39/48/483923948.db2.gz ZRAUCRYJQSTDLK-IUCAKERBSA-N -1 0 354.281 -0.522 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCO[C@H](CC(F)(F)F)C2)CCO1 ZINC000662915744 483924568 /nfs/dbraw/zinc/92/45/68/483924568.db2.gz ZRAUCRYJQSTDLK-RKDXNWHRSA-N -1 0 354.281 -0.522 20 0 FBADRM CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@H]1C ZINC000662915849 483923863 /nfs/dbraw/zinc/92/38/63/483923863.db2.gz QGUYIZIFLURPCI-HPTBWKMGSA-N -1 0 354.403 -0.181 20 0 FBADRM CCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@H]1C ZINC000662915850 483923881 /nfs/dbraw/zinc/92/38/81/483923881.db2.gz QGUYIZIFLURPCI-KOFHJDLBSA-N -1 0 354.403 -0.181 20 0 FBADRM CCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@@H]1C ZINC000662915851 483923874 /nfs/dbraw/zinc/92/38/74/483923874.db2.gz QGUYIZIFLURPCI-PFHKOEEOSA-N -1 0 354.403 -0.181 20 0 FBADRM CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@@H]1C ZINC000662915852 483924822 /nfs/dbraw/zinc/92/48/22/483924822.db2.gz QGUYIZIFLURPCI-SFDCBXKLSA-N -1 0 354.403 -0.181 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC(F)(F)[C@@H](CO)C1)C2 ZINC000662915884 483925798 /nfs/dbraw/zinc/92/57/98/483925798.db2.gz RKIXNYCJXIGIFM-GPCCPHFNSA-N -1 0 362.329 -0.978 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC(F)(F)[C@H](CO)C1)C2 ZINC000662915885 483925666 /nfs/dbraw/zinc/92/56/66/483925666.db2.gz RKIXNYCJXIGIFM-IMSIIYSGSA-N -1 0 362.329 -0.978 20 0 FBADRM Cc1cnn([C@H]2CCN(C(=O)C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)C2)c1 ZINC000662915999 483925963 /nfs/dbraw/zinc/92/59/63/483925963.db2.gz RODBDUYVXBDCTN-IIYDPXPESA-N -1 0 362.386 -0.475 20 0 FBADRM Cc1cnn([C@@H]2CCN(C(=O)C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)C2)c1 ZINC000662916000 483926262 /nfs/dbraw/zinc/92/62/62/483926262.db2.gz RODBDUYVXBDCTN-PBFPGSCMSA-N -1 0 362.386 -0.475 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC3(CCOCC3)CC1)C2 ZINC000662916034 483925972 /nfs/dbraw/zinc/92/59/72/483925972.db2.gz SKTMXXOOVSDIBY-FZKQIMNGSA-N -1 0 366.414 -0.035 20 0 FBADRM NC(=O)CCC1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000662916082 483925869 /nfs/dbraw/zinc/92/58/69/483925869.db2.gz UFRLSVIEDHVNED-SJKOYZFVSA-N -1 0 367.402 -0.950 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1Cc3ccccc3NC(=O)C1)C2 ZINC000662916176 483926606 /nfs/dbraw/zinc/92/66/06/483926606.db2.gz VNPCYCLVRVRJQQ-KZULUSFZSA-N -1 0 373.365 -0.473 20 0 FBADRM CC(C)n1cnnc1CN(C)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662916227 483926714 /nfs/dbraw/zinc/92/67/14/483926714.db2.gz WFMXRCPIFWGYOX-BDJLRTHQSA-N -1 0 365.390 -0.623 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@](O)(C3CC3)C1)C2 ZINC000662916260 483926052 /nfs/dbraw/zinc/92/60/52/483926052.db2.gz WTOCZYAFANWPKN-CSMYWGQOSA-N -1 0 352.387 -0.691 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@@](O)(C3CC3)C1)C2 ZINC000662916262 483926722 /nfs/dbraw/zinc/92/67/22/483926722.db2.gz WTOCZYAFANWPKN-JLZZUVOBSA-N -1 0 352.387 -0.691 20 0 FBADRM C[C@]1(C(F)F)CN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO1 ZINC000662916264 483926344 /nfs/dbraw/zinc/92/63/44/483926344.db2.gz WVWROEDFRNZJBE-DFKRKDTASA-N -1 0 362.329 -0.571 20 0 FBADRM C[C@@]1(C(F)F)CN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCO1 ZINC000662916265 483926473 /nfs/dbraw/zinc/92/64/73/483926473.db2.gz WVWROEDFRNZJBE-TURNYIBQSA-N -1 0 362.329 -0.571 20 0 FBADRM CO[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1(C)C ZINC000662916361 483926184 /nfs/dbraw/zinc/92/61/84/483926184.db2.gz YZRYAFDLNJZJHD-BWACUDIHSA-N -1 0 354.403 -0.181 20 0 FBADRM CO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1(C)C ZINC000662916362 483925478 /nfs/dbraw/zinc/92/54/78/483925478.db2.gz YZRYAFDLNJZJHD-PSTGCABASA-N -1 0 354.403 -0.181 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@@]3(C1)CCCOC3)C2 ZINC000662916374 483925608 /nfs/dbraw/zinc/92/56/08/483925608.db2.gz ZEDABSKIFPTJRI-CSMYWGQOSA-N -1 0 352.387 -0.425 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@]3(C1)CCCOC3)C2 ZINC000662916375 483926106 /nfs/dbraw/zinc/92/61/06/483926106.db2.gz ZEDABSKIFPTJRI-OAUYIBNBSA-N -1 0 352.387 -0.425 20 0 FBADRM C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[C@@H]1CCO ZINC000662916416 483926094 /nfs/dbraw/zinc/92/60/94/483926094.db2.gz SYRLSBDIQSSYFH-HPTBWKMGSA-N -1 0 354.403 -0.445 20 0 FBADRM C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[C@H]1CCO ZINC000662916417 483926519 /nfs/dbraw/zinc/92/65/19/483926519.db2.gz SYRLSBDIQSSYFH-KOFHJDLBSA-N -1 0 354.403 -0.445 20 0 FBADRM C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[C@H]1CCO ZINC000662916418 483926172 /nfs/dbraw/zinc/92/61/72/483926172.db2.gz SYRLSBDIQSSYFH-PFHKOEEOSA-N -1 0 354.403 -0.445 20 0 FBADRM C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[C@@H]1CCO ZINC000662916419 483925939 /nfs/dbraw/zinc/92/59/39/483925939.db2.gz SYRLSBDIQSSYFH-SFDCBXKLSA-N -1 0 354.403 -0.445 20 0 FBADRM C[C@@]12COC[C@]1(C)CN(C(=O)C(=O)N1C[C@@H]3COC[C@]3(C(=O)[O-])C1)C2 ZINC000662916954 483926730 /nfs/dbraw/zinc/92/67/30/483926730.db2.gz ZEMYRWBPEUXWPW-KLWIRTJPSA-N -1 0 352.387 -0.569 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N(CCN2CCOCC2)CC2CC2)C1 ZINC000662918133 483926508 /nfs/dbraw/zinc/92/65/08/483926508.db2.gz FQLWFWVMXREYPR-OAHLLOKOSA-N -1 0 367.446 -0.120 20 0 FBADRM NC(=O)c1cccc2c1CCN(C(=O)C(=O)N1CCC(C(=O)[O-])CC1)C2 ZINC000662920825 483926226 /nfs/dbraw/zinc/92/62/26/483926226.db2.gz GRDHEMRTSVYUTP-UHFFFAOYSA-N -1 0 359.382 -0.007 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000663021577 483945482 /nfs/dbraw/zinc/94/54/82/483945482.db2.gz QGJHXOOSDFAOIY-LSDHHAIUSA-N -1 0 351.359 -0.461 20 0 FBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000663024090 483945872 /nfs/dbraw/zinc/94/58/72/483945872.db2.gz RSAYUBHWYUQFMI-CHWSQXEVSA-N -1 0 355.416 -0.286 20 0 FBADRM NS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000663024091 483945575 /nfs/dbraw/zinc/94/55/75/483945575.db2.gz RSAYUBHWYUQFMI-QWHCGFSZSA-N -1 0 355.416 -0.286 20 0 FBADRM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN(C(=O)C2(n3cnnn3)CC2)CC1 ZINC000663024262 483946677 /nfs/dbraw/zinc/94/66/77/483946677.db2.gz CQOREUWZKPPWDU-GFCCVEGCSA-N -1 0 350.379 -0.524 20 0 FBADRM CC(=O)N(CC(=O)[O-])[C@H]1CCCN(C(=O)C2(n3cnnn3)CC2)CC1 ZINC000663024263 483945678 /nfs/dbraw/zinc/94/56/78/483945678.db2.gz CQOREUWZKPPWDU-LBPRGKRZSA-N -1 0 350.379 -0.524 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(n3cnnn3)CC2)C1=O ZINC000663025508 483945563 /nfs/dbraw/zinc/94/55/63/483945563.db2.gz JZKJLUGQLXSQQF-CHWSQXEVSA-N -1 0 370.369 -0.295 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(n3cnnn3)CC2)C1=O ZINC000663025509 483946121 /nfs/dbraw/zinc/94/61/21/483946121.db2.gz JZKJLUGQLXSQQF-OLZOCXBDSA-N -1 0 370.369 -0.295 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2(n3cnnn3)CC2)C1=O ZINC000663025510 483945931 /nfs/dbraw/zinc/94/59/31/483945931.db2.gz JZKJLUGQLXSQQF-QWHCGFSZSA-N -1 0 370.369 -0.295 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2(n3cnnn3)CC2)C1=O ZINC000663025511 483946187 /nfs/dbraw/zinc/94/61/87/483946187.db2.gz JZKJLUGQLXSQQF-STQMWFEESA-N -1 0 370.369 -0.295 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)c1nc2ncc(Br)cn2n1 ZINC000663026485 483946043 /nfs/dbraw/zinc/94/60/43/483946043.db2.gz HRTSUQVZLONTTC-SSDOTTSWSA-N -1 0 356.136 -0.188 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1nc2ncc(Br)cn2n1 ZINC000663026488 483946218 /nfs/dbraw/zinc/94/62/18/483946218.db2.gz HRTSUQVZLONTTC-ZETCQYMHSA-N -1 0 356.136 -0.188 20 0 FBADRM CN1C[C@H](C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)NC1=O ZINC000663026679 483947606 /nfs/dbraw/zinc/94/76/06/483947606.db2.gz QKDXMZBIMZTTPM-JHJVBQTASA-N -1 0 360.370 -0.447 20 0 FBADRM CN1C[C@H](C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)NC1=O ZINC000663026683 483947278 /nfs/dbraw/zinc/94/72/78/483947278.db2.gz QKDXMZBIMZTTPM-UPJWGTAASA-N -1 0 360.370 -0.447 20 0 FBADRM CN1C[C@H](C(=O)N[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)NC1=O ZINC000663026684 483947290 /nfs/dbraw/zinc/94/72/90/483947290.db2.gz QKDXMZBIMZTTPM-XQQFMLRXSA-N -1 0 360.370 -0.447 20 0 FBADRM CN1C[C@H](C(=O)N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)NC1=O ZINC000663026687 483947859 /nfs/dbraw/zinc/94/78/59/483947859.db2.gz QKDXMZBIMZTTPM-YNEHKIRRSA-N -1 0 360.370 -0.447 20 0 FBADRM CS(=O)(=O)NCCc1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000663027163 483948016 /nfs/dbraw/zinc/94/80/16/483948016.db2.gz LBZYXKWIJAUHOP-CYBMUJFWSA-N -1 0 356.400 -0.296 20 0 FBADRM CS(=O)(=O)NCCc1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000663027165 483947168 /nfs/dbraw/zinc/94/71/68/483947168.db2.gz LBZYXKWIJAUHOP-ZDUSSCGKSA-N -1 0 356.400 -0.296 20 0 FBADRM CC(=O)NCCN(C(=O)c1oc(S(N)(=O)=O)cc1C)[C@H](C)C(=O)[O-] ZINC000663027320 483947597 /nfs/dbraw/zinc/94/75/97/483947597.db2.gz RVUFZLQYKLESMQ-MRVPVSSYSA-N -1 0 361.376 -0.713 20 0 FBADRM CC(=O)NCCN(C(=O)c1oc(S(N)(=O)=O)cc1C)[C@@H](C)C(=O)[O-] ZINC000663027321 483947764 /nfs/dbraw/zinc/94/77/64/483947764.db2.gz RVUFZLQYKLESMQ-QMMMGPOBSA-N -1 0 361.376 -0.713 20 0 FBADRM CS(=O)(=O)CCC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000663027598 483947236 /nfs/dbraw/zinc/94/72/36/483947236.db2.gz VZUHFJCFXLJGTD-GXTWGEPZSA-N -1 0 368.411 -0.036 20 0 FBADRM CS(=O)(=O)CCC(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000663027600 483947442 /nfs/dbraw/zinc/94/74/42/483947442.db2.gz VZUHFJCFXLJGTD-JSGCOSHPSA-N -1 0 368.411 -0.036 20 0 FBADRM CS(=O)(=O)CCC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000663027602 483947563 /nfs/dbraw/zinc/94/75/63/483947563.db2.gz VZUHFJCFXLJGTD-OCCSQVGLSA-N -1 0 368.411 -0.036 20 0 FBADRM CS(=O)(=O)CCC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000663027604 483947958 /nfs/dbraw/zinc/94/79/58/483947958.db2.gz VZUHFJCFXLJGTD-TZMCWYRMSA-N -1 0 368.411 -0.036 20 0 FBADRM CS(=O)(=O)NCCc1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])s1 ZINC000663027667 483947209 /nfs/dbraw/zinc/94/72/09/483947209.db2.gz OSOJQMKDTDVICJ-JTQLQIEISA-N -1 0 362.429 -0.235 20 0 FBADRM CS(=O)(=O)NCCc1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])s1 ZINC000663027670 483947841 /nfs/dbraw/zinc/94/78/41/483947841.db2.gz OSOJQMKDTDVICJ-SNVBAGLBSA-N -1 0 362.429 -0.235 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000663028109 483947340 /nfs/dbraw/zinc/94/73/40/483947340.db2.gz QRIXUAROTHKMGR-CYBMUJFWSA-N -1 0 370.383 -0.693 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000663028111 483947831 /nfs/dbraw/zinc/94/78/31/483947831.db2.gz QRIXUAROTHKMGR-ZDUSSCGKSA-N -1 0 370.383 -0.693 20 0 FBADRM CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCOC[C@@H]2C(=O)[O-])CC1=O ZINC000663028514 483948125 /nfs/dbraw/zinc/94/81/25/483948125.db2.gz WGJMBCGGPUYPHB-BFHYXJOUSA-N -1 0 353.419 -0.369 20 0 FBADRM CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCOC[C@H]2C(=O)[O-])CC1=O ZINC000663028515 483947993 /nfs/dbraw/zinc/94/79/93/483947993.db2.gz WGJMBCGGPUYPHB-MCIONIFRSA-N -1 0 353.419 -0.369 20 0 FBADRM CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCOC[C@@H]2C(=O)[O-])CC1=O ZINC000663028516 483947783 /nfs/dbraw/zinc/94/77/83/483947783.db2.gz WGJMBCGGPUYPHB-MGPQQGTHSA-N -1 0 353.419 -0.369 20 0 FBADRM CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCOC[C@H]2C(=O)[O-])CC1=O ZINC000663028517 483948019 /nfs/dbraw/zinc/94/80/19/483948019.db2.gz WGJMBCGGPUYPHB-MJBXVCDLSA-N -1 0 353.419 -0.369 20 0 FBADRM CNC(=O)COc1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1OC ZINC000663028528 483947647 /nfs/dbraw/zinc/94/76/47/483947647.db2.gz WPDVEVSUCZWGIQ-LLVKDONJSA-N -1 0 352.343 -0.254 20 0 FBADRM CNC(=O)COc1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1OC ZINC000663028529 483948101 /nfs/dbraw/zinc/94/81/01/483948101.db2.gz WPDVEVSUCZWGIQ-NSHDSACASA-N -1 0 352.343 -0.254 20 0 FBADRM CS(=O)(=O)c1nc(C(=O)N2CCOC[C@H]2C(=O)[O-])c2ccccn21 ZINC000663028546 483947225 /nfs/dbraw/zinc/94/72/25/483947225.db2.gz XDEKVKAITMLAIM-JTQLQIEISA-N -1 0 353.356 -0.337 20 0 FBADRM CS(=O)(=O)c1nc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c2ccccn21 ZINC000663028547 483947470 /nfs/dbraw/zinc/94/74/70/483947470.db2.gz XDEKVKAITMLAIM-SNVBAGLBSA-N -1 0 353.356 -0.337 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000663028552 483947755 /nfs/dbraw/zinc/94/77/55/483947755.db2.gz XLSSDSFKLMMHSD-SSDOTTSWSA-N -1 0 362.136 -0.977 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000663028553 483948077 /nfs/dbraw/zinc/94/80/77/483948077.db2.gz XLSSDSFKLMMHSD-ZETCQYMHSA-N -1 0 362.136 -0.977 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCOC[C@@H]3C(=O)[O-])cc(C3CC3)nc21 ZINC000663028581 483947477 /nfs/dbraw/zinc/94/74/77/483947477.db2.gz YJCKOWSLZQSLRD-LLVKDONJSA-N -1 0 374.353 -0.163 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCOC[C@H]3C(=O)[O-])cc(C3CC3)nc21 ZINC000663028582 483947401 /nfs/dbraw/zinc/94/74/01/483947401.db2.gz YJCKOWSLZQSLRD-NSHDSACASA-N -1 0 374.353 -0.163 20 0 FBADRM NS(=O)(=O)c1cccc2c1ccnc2C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000663028583 483947907 /nfs/dbraw/zinc/94/79/07/483947907.db2.gz YKQGAMNOTSCOMU-LLVKDONJSA-N -1 0 365.367 -0.192 20 0 FBADRM NS(=O)(=O)c1cccc2c1ccnc2C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000663028584 483947707 /nfs/dbraw/zinc/94/77/07/483947707.db2.gz YKQGAMNOTSCOMU-NSHDSACASA-N -1 0 365.367 -0.192 20 0 FBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)N(CCC(=O)[O-])C2CCOCC2)C1 ZINC000663029101 483947422 /nfs/dbraw/zinc/94/74/22/483947422.db2.gz ITTGSILOYNHUSX-LLVKDONJSA-N -1 0 363.436 -0.616 20 0 FBADRM NS(=O)(=O)N1CCC[C@H](C(=O)N(CCC(=O)[O-])C2CCOCC2)C1 ZINC000663029103 483947768 /nfs/dbraw/zinc/94/77/68/483947768.db2.gz ITTGSILOYNHUSX-NSHDSACASA-N -1 0 363.436 -0.616 20 0 FBADRM NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000663038657 483947143 /nfs/dbraw/zinc/94/71/43/483947143.db2.gz CTBXNHMNOUAFDO-LLVKDONJSA-N -1 0 371.415 -0.205 20 0 FBADRM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000663038658 483947379 /nfs/dbraw/zinc/94/73/79/483947379.db2.gz CTBXNHMNOUAFDO-NSHDSACASA-N -1 0 371.415 -0.205 20 0 FBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000663040077 483947316 /nfs/dbraw/zinc/94/73/16/483947316.db2.gz NLWYJPZZTVNMAV-AWEZNQCLSA-N -1 0 367.402 -0.447 20 0 FBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000663040080 483947369 /nfs/dbraw/zinc/94/73/69/483947369.db2.gz NLWYJPZZTVNMAV-CQSZACIVSA-N -1 0 367.402 -0.447 20 0 FBADRM NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000663040106 483947925 /nfs/dbraw/zinc/94/79/25/483947925.db2.gz NWVUPABDAWNVDX-LLVKDONJSA-N -1 0 371.415 -0.205 20 0 FBADRM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000663040107 483947766 /nfs/dbraw/zinc/94/77/66/483947766.db2.gz NWVUPABDAWNVDX-NSHDSACASA-N -1 0 371.415 -0.205 20 0 FBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000663040981 483947668 /nfs/dbraw/zinc/94/76/68/483947668.db2.gz FXFJNQIKZQPAEP-BXUZGUMPSA-N -1 0 364.420 -0.871 20 0 FBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000663040990 483947930 /nfs/dbraw/zinc/94/79/30/483947930.db2.gz FXFJNQIKZQPAEP-FZMZJTMJSA-N -1 0 364.420 -0.871 20 0 FBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000663040993 483947155 /nfs/dbraw/zinc/94/71/55/483947155.db2.gz FXFJNQIKZQPAEP-RISCZKNCSA-N -1 0 364.420 -0.871 20 0 FBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000663040994 483947698 /nfs/dbraw/zinc/94/76/98/483947698.db2.gz FXFJNQIKZQPAEP-SMDDNHRTSA-N -1 0 364.420 -0.871 20 0 FBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000663041291 483947117 /nfs/dbraw/zinc/94/71/17/483947117.db2.gz XCISVIHPUSBDFO-KRWDZBQOSA-N -1 0 365.386 -0.693 20 0 FBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000663041293 483947898 /nfs/dbraw/zinc/94/78/98/483947898.db2.gz XCISVIHPUSBDFO-QGZVFWFLSA-N -1 0 365.386 -0.693 20 0 FBADRM O=C([O-])C1(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC=CC1 ZINC000663041525 483947510 /nfs/dbraw/zinc/94/75/10/483947510.db2.gz YUQDQRHUSRMMBT-UHFFFAOYSA-N -1 0 363.370 -0.773 20 0 FBADRM O=C([O-])[C@@H](C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C1CC1 ZINC000663042606 483947939 /nfs/dbraw/zinc/94/79/39/483947939.db2.gz UIWJDYPJZSEPPS-CHWSQXEVSA-N -1 0 360.432 -0.250 20 0 FBADRM O=C([O-])[C@H](C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C1CC1 ZINC000663042607 483947577 /nfs/dbraw/zinc/94/75/77/483947577.db2.gz UIWJDYPJZSEPPS-OLZOCXBDSA-N -1 0 360.432 -0.250 20 0 FBADRM O=C([O-])[C@@H](C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C1CC1 ZINC000663042608 483947435 /nfs/dbraw/zinc/94/74/35/483947435.db2.gz UIWJDYPJZSEPPS-QWHCGFSZSA-N -1 0 360.432 -0.250 20 0 FBADRM O=C([O-])[C@H](C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C1CC1 ZINC000663042609 483947180 /nfs/dbraw/zinc/94/71/80/483947180.db2.gz UIWJDYPJZSEPPS-STQMWFEESA-N -1 0 360.432 -0.250 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)C3(C(=O)[O-])CCC3)CC2)cn1C ZINC000663047449 483947520 /nfs/dbraw/zinc/94/75/20/483947520.db2.gz DZVQGISJDKQNTF-UHFFFAOYSA-N -1 0 370.431 -0.184 20 0 FBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000663047676 483947972 /nfs/dbraw/zinc/94/79/72/483947972.db2.gz FISLRXLCILDBAY-AWEZNQCLSA-N -1 0 374.419 -0.949 20 0 FBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000663047677 483948053 /nfs/dbraw/zinc/94/80/53/483948053.db2.gz FISLRXLCILDBAY-CQSZACIVSA-N -1 0 374.419 -0.949 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H](C(=O)[O-])C3CC3)CC2)cn1C ZINC000663051227 483947549 /nfs/dbraw/zinc/94/75/49/483947549.db2.gz VPRONDNQCBYBMW-CYBMUJFWSA-N -1 0 370.431 -0.328 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H](C(=O)[O-])C3CC3)CC2)cn1C ZINC000663051228 483947352 /nfs/dbraw/zinc/94/73/52/483947352.db2.gz VPRONDNQCBYBMW-ZDUSSCGKSA-N -1 0 370.431 -0.328 20 0 FBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000663054357 483947740 /nfs/dbraw/zinc/94/77/40/483947740.db2.gz MJGFCFICZZBDNP-CYBMUJFWSA-N -1 0 366.342 -0.151 20 0 FBADRM CO[C@](C)(C(=O)[O-])C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000663054358 483947718 /nfs/dbraw/zinc/94/77/18/483947718.db2.gz MJGFCFICZZBDNP-ZDUSSCGKSA-N -1 0 366.342 -0.151 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(-n2ccnn2)ccc1F ZINC000663055211 483947454 /nfs/dbraw/zinc/94/74/54/483947454.db2.gz WFLYZEDICZJMFV-GFCCVEGCSA-N -1 0 368.346 -0.270 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(-n2ccnn2)ccc1F ZINC000663055212 483947733 /nfs/dbraw/zinc/94/77/33/483947733.db2.gz WFLYZEDICZJMFV-LBPRGKRZSA-N -1 0 368.346 -0.270 20 0 FBADRM Cn1cc(Br)c(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])n1 ZINC000663055215 483947676 /nfs/dbraw/zinc/94/76/76/483947676.db2.gz WJDYXVNWFMBWGN-SSDOTTSWSA-N -1 0 366.193 -0.494 20 0 FBADRM Cn1cc(Br)c(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])n1 ZINC000663055216 483947622 /nfs/dbraw/zinc/94/76/22/483947622.db2.gz WJDYXVNWFMBWGN-ZETCQYMHSA-N -1 0 366.193 -0.494 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1c(F)cccc1F ZINC000663056651 483949113 /nfs/dbraw/zinc/94/91/13/483949113.db2.gz OALNVQDPHVWDAU-SECBINFHSA-N -1 0 362.310 -0.387 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1c(F)cccc1F ZINC000663056656 483949126 /nfs/dbraw/zinc/94/91/26/483949126.db2.gz OALNVQDPHVWDAU-VIFPVBQESA-N -1 0 362.310 -0.387 20 0 FBADRM CN1C(=O)CO[C@H](C(=O)Nc2cnn(CC(=O)[O-])c2)[C@H]1c1cccnc1 ZINC000663059692 483949148 /nfs/dbraw/zinc/94/91/48/483949148.db2.gz VYMSQBLQRGABHP-CABCVRRESA-N -1 0 359.342 -0.100 20 0 FBADRM COCCNS(=O)(=O)c1cccc(CNC(=O)[C@](C)(OC)C(=O)[O-])c1 ZINC000663078459 483949052 /nfs/dbraw/zinc/94/90/52/483949052.db2.gz CKHKSMNOUNGLHN-HNNXBMFYSA-N -1 0 374.415 -0.283 20 0 FBADRM COCCNS(=O)(=O)c1cccc(CNC(=O)[C@@](C)(OC)C(=O)[O-])c1 ZINC000663078460 483948843 /nfs/dbraw/zinc/94/88/43/483948843.db2.gz CKHKSMNOUNGLHN-OAHLLOKOSA-N -1 0 374.415 -0.283 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)C3(C(=O)[O-])CCC3)CC2)cn1 ZINC000663078919 483948858 /nfs/dbraw/zinc/94/88/58/483948858.db2.gz GCAVFIUWGWELCF-UHFFFAOYSA-N -1 0 370.431 -0.056 20 0 FBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000663079293 483949201 /nfs/dbraw/zinc/94/92/01/483949201.db2.gz IPHUNEGDURJQPX-CMPLNLGQSA-N -1 0 362.448 -0.115 20 0 FBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000663079295 483949254 /nfs/dbraw/zinc/94/92/54/483949254.db2.gz IPHUNEGDURJQPX-JQWIXIFHSA-N -1 0 362.448 -0.115 20 0 FBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000663079296 483949292 /nfs/dbraw/zinc/94/92/92/483949292.db2.gz IPHUNEGDURJQPX-PWSUYJOCSA-N -1 0 362.448 -0.115 20 0 FBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000663079298 483948948 /nfs/dbraw/zinc/94/89/48/483948948.db2.gz IPHUNEGDURJQPX-ZYHUDNBSSA-N -1 0 362.448 -0.115 20 0 FBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000663079602 483949134 /nfs/dbraw/zinc/94/91/34/483949134.db2.gz QYRWIQOJNSRPIP-AAEUAGOBSA-N -1 0 360.432 -0.361 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000663079603 483948716 /nfs/dbraw/zinc/94/87/16/483948716.db2.gz QYRWIQOJNSRPIP-DGCLKSJQSA-N -1 0 360.432 -0.361 20 0 FBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000663079604 483949349 /nfs/dbraw/zinc/94/93/49/483949349.db2.gz QYRWIQOJNSRPIP-WCQYABFASA-N -1 0 360.432 -0.361 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000663079605 483949159 /nfs/dbraw/zinc/94/91/59/483949159.db2.gz QYRWIQOJNSRPIP-YPMHNXCESA-N -1 0 360.432 -0.361 20 0 FBADRM O=C([O-])[C@H](C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000663080381 483949033 /nfs/dbraw/zinc/94/90/33/483949033.db2.gz VDQKSILFRLMMRH-AAEUAGOBSA-N -1 0 360.432 -0.313 20 0 FBADRM O=C([O-])[C@@H](C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000663080382 483948667 /nfs/dbraw/zinc/94/86/67/483948667.db2.gz VDQKSILFRLMMRH-DGCLKSJQSA-N -1 0 360.432 -0.313 20 0 FBADRM O=C([O-])[C@@H](C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000663080383 483949011 /nfs/dbraw/zinc/94/90/11/483949011.db2.gz VDQKSILFRLMMRH-WCQYABFASA-N -1 0 360.432 -0.313 20 0 FBADRM O=C([O-])[C@H](C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000663080384 483949049 /nfs/dbraw/zinc/94/90/49/483949049.db2.gz VDQKSILFRLMMRH-YPMHNXCESA-N -1 0 360.432 -0.313 20 0 FBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C1(C(=O)[O-])CC=CC1 ZINC000663080548 483948919 /nfs/dbraw/zinc/94/89/19/483948919.db2.gz RNXCGHUUWWCTTM-LLVKDONJSA-N -1 0 358.416 -0.441 20 0 FBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C1(C(=O)[O-])CC=CC1 ZINC000663080554 483948908 /nfs/dbraw/zinc/94/89/08/483948908.db2.gz RNXCGHUUWWCTTM-NSHDSACASA-N -1 0 358.416 -0.441 20 0 FBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000663081256 483949174 /nfs/dbraw/zinc/94/91/74/483949174.db2.gz VUIRGQPXWQTFCA-BMIGLBTASA-N -1 0 360.432 -0.361 20 0 FBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000663081257 483948941 /nfs/dbraw/zinc/94/89/41/483948941.db2.gz VUIRGQPXWQTFCA-BONVTDFDSA-N -1 0 360.432 -0.361 20 0 FBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000663081258 483948853 /nfs/dbraw/zinc/94/88/53/483948853.db2.gz VUIRGQPXWQTFCA-MEBBXXQBSA-N -1 0 360.432 -0.361 20 0 FBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000663081259 483949027 /nfs/dbraw/zinc/94/90/27/483949027.db2.gz VUIRGQPXWQTFCA-ZUZCIYMTSA-N -1 0 360.432 -0.361 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@H](C(=O)[O-])C3CC3)CC2)cn1 ZINC000663081261 483948849 /nfs/dbraw/zinc/94/88/49/483948849.db2.gz VVQTTZRXKFCUHV-CYBMUJFWSA-N -1 0 370.431 -0.200 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@@H](C(=O)[O-])C3CC3)CC2)cn1 ZINC000663081262 483948759 /nfs/dbraw/zinc/94/87/59/483948759.db2.gz VVQTTZRXKFCUHV-ZDUSSCGKSA-N -1 0 370.431 -0.200 20 0 FBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000663081449 483948625 /nfs/dbraw/zinc/94/86/25/483948625.db2.gz LXUUYOPMFOWESL-KRWDZBQOSA-N -1 0 367.402 -0.983 20 0 FBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000663081452 483949003 /nfs/dbraw/zinc/94/90/03/483949003.db2.gz LXUUYOPMFOWESL-QGZVFWFLSA-N -1 0 367.402 -0.983 20 0 FBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000663081575 483949223 /nfs/dbraw/zinc/94/92/23/483949223.db2.gz NUTHGVOAWOGSTL-GFCCVEGCSA-N -1 0 369.418 -0.737 20 0 FBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000663081576 483948899 /nfs/dbraw/zinc/94/88/99/483948899.db2.gz NUTHGVOAWOGSTL-LBPRGKRZSA-N -1 0 369.418 -0.737 20 0 FBADRM COCCNS(=O)(=O)c1ccc(CNC(=O)[C@](C)(OC)C(=O)[O-])cc1 ZINC000663082596 483949337 /nfs/dbraw/zinc/94/93/37/483949337.db2.gz BWEODODDODGAKK-HNNXBMFYSA-N -1 0 374.415 -0.283 20 0 FBADRM COCCNS(=O)(=O)c1ccc(CNC(=O)[C@@](C)(OC)C(=O)[O-])cc1 ZINC000663082597 483949326 /nfs/dbraw/zinc/94/93/26/483949326.db2.gz BWEODODDODGAKK-OAHLLOKOSA-N -1 0 374.415 -0.283 20 0 FBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000663083464 483949234 /nfs/dbraw/zinc/94/92/34/483949234.db2.gz LDFSFSBLOGKJBX-KRWDZBQOSA-N -1 0 351.403 -0.220 20 0 FBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000663083465 483948995 /nfs/dbraw/zinc/94/89/95/483948995.db2.gz LDFSFSBLOGKJBX-QGZVFWFLSA-N -1 0 351.403 -0.220 20 0 FBADRM O=C([O-])[C@@H](C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C1CCCC1 ZINC000663084715 483949208 /nfs/dbraw/zinc/94/92/08/483949208.db2.gz ZEKBSPAMLUFOJZ-CYBMUJFWSA-N -1 0 351.403 -0.173 20 0 FBADRM O=C([O-])[C@H](C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C1CCCC1 ZINC000663084716 483949096 /nfs/dbraw/zinc/94/90/96/483949096.db2.gz ZEKBSPAMLUFOJZ-ZDUSSCGKSA-N -1 0 351.403 -0.173 20 0 FBADRM CO[C@@](C)(C(=O)[O-])C(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000663085434 483949017 /nfs/dbraw/zinc/94/90/17/483949017.db2.gz FCFSIRRFJIWQPH-APPDUMDISA-N -1 0 366.370 -0.083 20 0 FBADRM CO[C@](C)(C(=O)[O-])C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000663085435 483949359 /nfs/dbraw/zinc/94/93/59/483949359.db2.gz FCFSIRRFJIWQPH-DIFFPNOSSA-N -1 0 366.370 -0.083 20 0 FBADRM CO[C@](C)(C(=O)[O-])C(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000663085436 483948867 /nfs/dbraw/zinc/94/88/67/483948867.db2.gz FCFSIRRFJIWQPH-GTNSWQLSSA-N -1 0 366.370 -0.083 20 0 FBADRM CO[C@@](C)(C(=O)[O-])C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000663085437 483948700 /nfs/dbraw/zinc/94/87/00/483948700.db2.gz FCFSIRRFJIWQPH-PIGZYNQJSA-N -1 0 366.370 -0.083 20 0 FBADRM CO[C@](C)(C(=O)[O-])C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000663087192 483948926 /nfs/dbraw/zinc/94/89/26/483948926.db2.gz WJFPSCZBBBOBIX-KRWDZBQOSA-N -1 0 363.370 -0.636 20 0 FBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000663087193 483948823 /nfs/dbraw/zinc/94/88/23/483948823.db2.gz WJFPSCZBBBOBIX-QGZVFWFLSA-N -1 0 363.370 -0.636 20 0 FBADRM O=C([O-])[C@H](C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C1CC1 ZINC000663087363 483949303 /nfs/dbraw/zinc/94/93/03/483949303.db2.gz YGJLEVSGSFBHQS-HNNXBMFYSA-N -1 0 359.382 -0.014 20 0 FBADRM O=C([O-])[C@@H](C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C1CC1 ZINC000663087364 483948777 /nfs/dbraw/zinc/94/87/77/483948777.db2.gz YGJLEVSGSFBHQS-OAHLLOKOSA-N -1 0 359.382 -0.014 20 0 FBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000663088913 483949065 /nfs/dbraw/zinc/94/90/65/483949065.db2.gz CMSTWCBEMGWUPX-INIZCTEOSA-N -1 0 352.391 -0.122 20 0 FBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000663088915 483948871 /nfs/dbraw/zinc/94/88/71/483948871.db2.gz CMSTWCBEMGWUPX-MRXNPFEDSA-N -1 0 352.391 -0.122 20 0 FBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000663090246 483949104 /nfs/dbraw/zinc/94/91/04/483949104.db2.gz DOSDIWGDFYGOKF-CYBMUJFWSA-N -1 0 361.376 -0.862 20 0 FBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000663090247 483949297 /nfs/dbraw/zinc/94/92/97/483949297.db2.gz DOSDIWGDFYGOKF-ZDUSSCGKSA-N -1 0 361.376 -0.862 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1 ZINC000663091127 483948966 /nfs/dbraw/zinc/94/89/66/483948966.db2.gz ITCUHNPLFDOWMQ-HNNXBMFYSA-N -1 0 355.435 -0.216 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)CC1 ZINC000663091128 483948642 /nfs/dbraw/zinc/94/86/42/483948642.db2.gz ITCUHNPLFDOWMQ-OAHLLOKOSA-N -1 0 355.435 -0.216 20 0 FBADRM O=C([O-])C1(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC=CC1 ZINC000663091922 483948971 /nfs/dbraw/zinc/94/89/71/483948971.db2.gz QSWMYPRKCSITSH-UHFFFAOYSA-N -1 0 373.431 -0.871 20 0 FBADRM O=C([O-])[C@@H](C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)C1CC1 ZINC000663093294 483949087 /nfs/dbraw/zinc/94/90/87/483949087.db2.gz WOJKBNANWJOEMV-GFCCVEGCSA-N -1 0 357.388 -0.241 20 0 FBADRM O=C([O-])[C@H](C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)C1CC1 ZINC000663093297 483948880 /nfs/dbraw/zinc/94/88/80/483948880.db2.gz WOJKBNANWJOEMV-LBPRGKRZSA-N -1 0 357.388 -0.241 20 0 FBADRM C[C@H](NC(=O)[C@H](C(=O)[O-])C1CCCC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000663093808 483948682 /nfs/dbraw/zinc/94/86/82/483948682.db2.gz WXBPGDFEUHPERS-CMPLNLGQSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@H](NC(=O)[C@@H](C(=O)[O-])C1CCCC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000663093809 483948831 /nfs/dbraw/zinc/94/88/31/483948831.db2.gz WXBPGDFEUHPERS-JQWIXIFHSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CCCC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000663093811 483949285 /nfs/dbraw/zinc/94/92/85/483949285.db2.gz WXBPGDFEUHPERS-PWSUYJOCSA-N -1 0 360.432 -0.361 20 0 FBADRM C[C@@H](NC(=O)[C@H](C(=O)[O-])C1CCCC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000663093813 483949312 /nfs/dbraw/zinc/94/93/12/483949312.db2.gz WXBPGDFEUHPERS-ZYHUDNBSSA-N -1 0 360.432 -0.361 20 0 FBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000663096655 483949216 /nfs/dbraw/zinc/94/92/16/483949216.db2.gz ATRQTJVRQCFPDZ-CYBMUJFWSA-N -1 0 350.462 -0.018 20 0 FBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000663096656 483948956 /nfs/dbraw/zinc/94/89/56/483948956.db2.gz ATRQTJVRQCFPDZ-ZDUSSCGKSA-N -1 0 350.462 -0.018 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC000663096717 483948886 /nfs/dbraw/zinc/94/88/86/483948886.db2.gz CSMXVBUBZAOYEE-CYBMUJFWSA-N -1 0 362.448 -0.004 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC000663096718 483949059 /nfs/dbraw/zinc/94/90/59/483949059.db2.gz CSMXVBUBZAOYEE-ZDUSSCGKSA-N -1 0 362.448 -0.004 20 0 FBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000663098345 483949141 /nfs/dbraw/zinc/94/91/41/483949141.db2.gz QCGKFWWXLUAMIM-AWEZNQCLSA-N -1 0 366.436 -0.625 20 0 FBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000663098346 483949041 /nfs/dbraw/zinc/94/90/41/483949041.db2.gz QCGKFWWXLUAMIM-CQSZACIVSA-N -1 0 366.436 -0.625 20 0 FBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000663098469 483949319 /nfs/dbraw/zinc/94/93/19/483949319.db2.gz KQLRDJLIYOUOTM-MMPTUQATSA-N -1 0 368.390 -0.053 20 0 FBADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000663098470 483949262 /nfs/dbraw/zinc/94/92/62/483949262.db2.gz KQLRDJLIYOUOTM-OHUAYANFSA-N -1 0 368.390 -0.053 20 0 FBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000663098471 483949910 /nfs/dbraw/zinc/94/99/10/483949910.db2.gz KQLRDJLIYOUOTM-USBNGQNGSA-N -1 0 368.390 -0.053 20 0 FBADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000663098472 483950558 /nfs/dbraw/zinc/95/05/58/483950558.db2.gz KQLRDJLIYOUOTM-UVWXRNBGSA-N -1 0 368.390 -0.053 20 0 FBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000663099748 483950665 /nfs/dbraw/zinc/95/06/65/483950665.db2.gz HXCQZYAFRGZEQY-AWEZNQCLSA-N -1 0 355.435 -0.264 20 0 FBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000663099751 483950602 /nfs/dbraw/zinc/95/06/02/483950602.db2.gz HXCQZYAFRGZEQY-CQSZACIVSA-N -1 0 355.435 -0.264 20 0 FBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000663100173 483949934 /nfs/dbraw/zinc/94/99/34/483949934.db2.gz LPZMITJVRUIMDV-KRWDZBQOSA-N -1 0 353.419 -0.510 20 0 FBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000663100174 483951108 /nfs/dbraw/zinc/95/11/08/483951108.db2.gz LPZMITJVRUIMDV-QGZVFWFLSA-N -1 0 353.419 -0.510 20 0 FBADRM CO[C@](C)(C(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000663100543 483950776 /nfs/dbraw/zinc/95/07/76/483950776.db2.gz ADVYHXSDQLFTBY-GWCFXTLKSA-N -1 0 352.409 -0.919 20 0 FBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000663100544 483951031 /nfs/dbraw/zinc/95/10/31/483951031.db2.gz ADVYHXSDQLFTBY-GXFFZTMASA-N -1 0 352.409 -0.919 20 0 FBADRM CO[C@](C)(C(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000663100545 483950877 /nfs/dbraw/zinc/95/08/77/483950877.db2.gz ADVYHXSDQLFTBY-MFKMUULPSA-N -1 0 352.409 -0.919 20 0 FBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000663100546 483950967 /nfs/dbraw/zinc/95/09/67/483950967.db2.gz ADVYHXSDQLFTBY-ZWNOBZJWSA-N -1 0 352.409 -0.919 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)[C@H](C(=O)[O-])C2CCCC2)CC1 ZINC000663104102 483950021 /nfs/dbraw/zinc/95/00/21/483950021.db2.gz YOCMCIRZWHHDDE-CYBMUJFWSA-N -1 0 361.464 -0.429 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1 ZINC000663104103 483951143 /nfs/dbraw/zinc/95/11/43/483951143.db2.gz YOCMCIRZWHHDDE-ZDUSSCGKSA-N -1 0 361.464 -0.429 20 0 FBADRM COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC000663107021 483950456 /nfs/dbraw/zinc/95/04/56/483950456.db2.gz DFFSBMLKKKFMOD-GXTWGEPZSA-N -1 0 355.435 -0.217 20 0 FBADRM COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC000663107023 483950705 /nfs/dbraw/zinc/95/07/05/483950705.db2.gz DFFSBMLKKKFMOD-JSGCOSHPSA-N -1 0 355.435 -0.217 20 0 FBADRM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC000663107024 483950052 /nfs/dbraw/zinc/95/00/52/483950052.db2.gz DFFSBMLKKKFMOD-OCCSQVGLSA-N -1 0 355.435 -0.217 20 0 FBADRM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC000663107025 483950181 /nfs/dbraw/zinc/95/01/81/483950181.db2.gz DFFSBMLKKKFMOD-TZMCWYRMSA-N -1 0 355.435 -0.217 20 0 FBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000663107117 483950533 /nfs/dbraw/zinc/95/05/33/483950533.db2.gz FOPDAOONULQLAX-GXTWGEPZSA-N -1 0 355.435 -0.217 20 0 FBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000663107120 483949918 /nfs/dbraw/zinc/94/99/18/483949918.db2.gz FOPDAOONULQLAX-JSGCOSHPSA-N -1 0 355.435 -0.217 20 0 FBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000663107122 483949858 /nfs/dbraw/zinc/94/98/58/483949858.db2.gz FOPDAOONULQLAX-OCCSQVGLSA-N -1 0 355.435 -0.217 20 0 FBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000663107123 483950505 /nfs/dbraw/zinc/95/05/05/483950505.db2.gz FOPDAOONULQLAX-TZMCWYRMSA-N -1 0 355.435 -0.217 20 0 FBADRM O=C([O-])[C@@H](C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCCC1 ZINC000663107430 483950074 /nfs/dbraw/zinc/95/00/74/483950074.db2.gz JDSIGZVLHQHCBB-GDBMZVCRSA-N -1 0 367.446 -0.073 20 0 FBADRM O=C([O-])[C@@H](C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCCC1 ZINC000663107431 483950644 /nfs/dbraw/zinc/95/06/44/483950644.db2.gz JDSIGZVLHQHCBB-GOEBONIOSA-N -1 0 367.446 -0.073 20 0 FBADRM O=C([O-])[C@H](C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCCC1 ZINC000663107433 483951082 /nfs/dbraw/zinc/95/10/82/483951082.db2.gz JDSIGZVLHQHCBB-HOCLYGCPSA-N -1 0 367.446 -0.073 20 0 FBADRM O=C([O-])[C@H](C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCCC1 ZINC000663107435 483950384 /nfs/dbraw/zinc/95/03/84/483950384.db2.gz JDSIGZVLHQHCBB-ZBFHGGJFSA-N -1 0 367.446 -0.073 20 0 FBADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000663107872 483950657 /nfs/dbraw/zinc/95/06/57/483950657.db2.gz LURBIJHQHINPBQ-HNNXBMFYSA-N -1 0 371.415 -0.528 20 0 FBADRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000663107875 483949984 /nfs/dbraw/zinc/94/99/84/483949984.db2.gz LURBIJHQHINPBQ-OAHLLOKOSA-N -1 0 371.415 -0.528 20 0 FBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000663108042 483951212 /nfs/dbraw/zinc/95/12/12/483951212.db2.gz PGXZSDOQYDQHHJ-PXAZEXFGSA-N -1 0 353.419 -0.463 20 0 FBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000663108043 483950309 /nfs/dbraw/zinc/95/03/09/483950309.db2.gz PGXZSDOQYDQHHJ-SJCJKPOMSA-N -1 0 353.419 -0.463 20 0 FBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000663108044 483950735 /nfs/dbraw/zinc/95/07/35/483950735.db2.gz PGXZSDOQYDQHHJ-SJKOYZFVSA-N -1 0 353.419 -0.463 20 0 FBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000663108045 483950436 /nfs/dbraw/zinc/95/04/36/483950436.db2.gz PGXZSDOQYDQHHJ-YVEFUNNKSA-N -1 0 353.419 -0.463 20 0 FBADRM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C2(C(=O)[O-])CCC2)CC1 ZINC000663108685 483950402 /nfs/dbraw/zinc/95/04/02/483950402.db2.gz UFZRFIVSNJANAR-CYBMUJFWSA-N -1 0 355.435 -0.073 20 0 FBADRM COCCCNC(=O)[C@H](C)N1CCN(C(=O)C2(C(=O)[O-])CCC2)CC1 ZINC000663108686 483950167 /nfs/dbraw/zinc/95/01/67/483950167.db2.gz UFZRFIVSNJANAR-ZDUSSCGKSA-N -1 0 355.435 -0.073 20 0 FBADRM O=C([O-])[C@H](C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C1CCCC1 ZINC000663109093 483950120 /nfs/dbraw/zinc/95/01/20/483950120.db2.gz JRWDLIPQORDEGD-INIZCTEOSA-N -1 0 367.446 -0.120 20 0 FBADRM O=C([O-])[C@@H](C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C1CCCC1 ZINC000663109096 483950101 /nfs/dbraw/zinc/95/01/01/483950101.db2.gz JRWDLIPQORDEGD-MRXNPFEDSA-N -1 0 367.446 -0.120 20 0 FBADRM CO[C@](C)(C(=O)[O-])C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000663109532 483951175 /nfs/dbraw/zinc/95/11/75/483951175.db2.gz KPGLVEPEQICZAU-INIZCTEOSA-N -1 0 365.390 -0.879 20 0 FBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000663109534 483950761 /nfs/dbraw/zinc/95/07/61/483950761.db2.gz KPGLVEPEQICZAU-MRXNPFEDSA-N -1 0 365.390 -0.879 20 0 FBADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000663110120 483950449 /nfs/dbraw/zinc/95/04/49/483950449.db2.gz PIHRMWYBSMJVFT-AWEZNQCLSA-N -1 0 355.435 -0.264 20 0 FBADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000663110121 483949882 /nfs/dbraw/zinc/94/98/82/483949882.db2.gz PIHRMWYBSMJVFT-CQSZACIVSA-N -1 0 355.435 -0.264 20 0 FBADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000663110500 483950549 /nfs/dbraw/zinc/95/05/49/483950549.db2.gz UBQXTNBYVQQRPM-KRWDZBQOSA-N -1 0 353.419 -0.510 20 0 FBADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000663110501 483950129 /nfs/dbraw/zinc/95/01/29/483950129.db2.gz UBQXTNBYVQQRPM-QGZVFWFLSA-N -1 0 353.419 -0.510 20 0 FBADRM O=C([O-])[C@H](C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)C1CC1 ZINC000663110800 483950978 /nfs/dbraw/zinc/95/09/78/483950978.db2.gz VWGCHNQXTHZZQD-AWEZNQCLSA-N -1 0 361.402 -0.258 20 0 FBADRM O=C([O-])[C@@H](C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)C1CC1 ZINC000663110802 483951073 /nfs/dbraw/zinc/95/10/73/483951073.db2.gz VWGCHNQXTHZZQD-CQSZACIVSA-N -1 0 361.402 -0.258 20 0 FBADRM CO[C@](C)(C(=O)[O-])C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000663110929 483950842 /nfs/dbraw/zinc/95/08/42/483950842.db2.gz JAEFTYRJMAHELK-KRWDZBQOSA-N -1 0 364.402 -0.274 20 0 FBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000663110930 483951186 /nfs/dbraw/zinc/95/11/86/483951186.db2.gz JAEFTYRJMAHELK-QGZVFWFLSA-N -1 0 364.402 -0.274 20 0 FBADRM O=C(CNC(=O)C1(C(=O)[O-])CCCCCC1)NCCN1CCOCC1 ZINC000663111889 483950574 /nfs/dbraw/zinc/95/05/74/483950574.db2.gz VKLVPZJFXQXNJZ-UHFFFAOYSA-N -1 0 355.435 -0.024 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@](C)(OC)C(=O)[O-])c1 ZINC000663114225 483950636 /nfs/dbraw/zinc/95/06/36/483950636.db2.gz JEMURBWIORKBFV-AWEZNQCLSA-N -1 0 373.387 -0.861 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@](C)(OC)C(=O)[O-])c1 ZINC000663114226 483950413 /nfs/dbraw/zinc/95/04/13/483950413.db2.gz JEMURBWIORKBFV-CQSZACIVSA-N -1 0 373.387 -0.861 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@H](C(=O)[O-])C2CC2)c1 ZINC000663115096 483949960 /nfs/dbraw/zinc/94/99/60/483949960.db2.gz QPMMJINXAPMLHZ-CYBMUJFWSA-N -1 0 369.399 -0.240 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@H](C(=O)[O-])C2CC2)c1 ZINC000663115099 483950264 /nfs/dbraw/zinc/95/02/64/483950264.db2.gz QPMMJINXAPMLHZ-ZDUSSCGKSA-N -1 0 369.399 -0.240 20 0 FBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])C1 ZINC000663121907 483950002 /nfs/dbraw/zinc/95/00/02/483950002.db2.gz ULQIINIZVHQJCB-NEPJUHHUSA-N -1 0 356.404 -0.891 20 0 FBADRM NS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])C1 ZINC000663121908 483951001 /nfs/dbraw/zinc/95/10/01/483951001.db2.gz ULQIINIZVHQJCB-NWDGAFQWSA-N -1 0 356.404 -0.891 20 0 FBADRM NS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])C1 ZINC000663121909 483950517 /nfs/dbraw/zinc/95/05/17/483950517.db2.gz ULQIINIZVHQJCB-RYUDHWBXSA-N -1 0 356.404 -0.891 20 0 FBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])C1 ZINC000663121910 483950792 /nfs/dbraw/zinc/95/07/92/483950792.db2.gz ULQIINIZVHQJCB-VXGBXAGGSA-N -1 0 356.404 -0.891 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)NC2(CC(=O)[O-])CCOCC2)cn1 ZINC000663122444 483950911 /nfs/dbraw/zinc/95/09/11/483950911.db2.gz IPMKBAAZNQJRGK-UHFFFAOYSA-N -1 0 357.388 -0.257 20 0 FBADRM O=C([O-])CC1(NC(=O)CCNS(=O)(=O)c2cccnc2)CCOCC1 ZINC000663122650 483949838 /nfs/dbraw/zinc/94/98/38/483949838.db2.gz MSLCYDCJILQULR-UHFFFAOYSA-N -1 0 371.415 -0.110 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)NC2(CC(=O)[O-])CCCCC2)cn1 ZINC000663122728 483950526 /nfs/dbraw/zinc/95/05/26/483950526.db2.gz CGXYXVNRRRKYPZ-UHFFFAOYSA-N -1 0 358.420 -0.008 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NC2(CC(=O)[O-])CCOCC2)cn1C ZINC000663122917 483950610 /nfs/dbraw/zinc/95/06/10/483950610.db2.gz PSAWXLQQQVSCPD-UHFFFAOYSA-N -1 0 374.419 -0.853 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC000663123705 483950673 /nfs/dbraw/zinc/95/06/73/483950673.db2.gz POCBXVDUYZOVCM-UHFFFAOYSA-N -1 0 358.420 -0.008 20 0 FBADRM CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@H](C)C(=O)[O-] ZINC000663124470 483950476 /nfs/dbraw/zinc/95/04/76/483950476.db2.gz KDQZLLDNOWWLIG-NXEZZACHSA-N -1 0 371.415 -0.226 20 0 FBADRM CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@@H](C)C(=O)[O-] ZINC000663124472 483951008 /nfs/dbraw/zinc/95/10/08/483951008.db2.gz KDQZLLDNOWWLIG-UWVGGRQHSA-N -1 0 371.415 -0.226 20 0 FBADRM CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@H](C)C(=O)[O-] ZINC000663124475 483950957 /nfs/dbraw/zinc/95/09/57/483950957.db2.gz KDQZLLDNOWWLIG-VHSXEESVSA-N -1 0 371.415 -0.226 20 0 FBADRM CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@@H](C)C(=O)[O-] ZINC000663124478 483950798 /nfs/dbraw/zinc/95/07/98/483950798.db2.gz KDQZLLDNOWWLIG-ZJUUUORDSA-N -1 0 371.415 -0.226 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC2(CC(=O)[O-])CCOCC2)C1=O ZINC000663125232 483950038 /nfs/dbraw/zinc/95/00/38/483950038.db2.gz WKSXVBVCPVHZKV-HNNXBMFYSA-N -1 0 353.375 -0.153 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)NC2(CC(=O)[O-])CCOCC2)C1=O ZINC000663125234 483950751 /nfs/dbraw/zinc/95/07/51/483950751.db2.gz WKSXVBVCPVHZKV-OAHLLOKOSA-N -1 0 353.375 -0.153 20 0 FBADRM CCN1CCN(CC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)C(=O)C1=O ZINC000663126599 483950484 /nfs/dbraw/zinc/95/04/84/483950484.db2.gz BBUAZPPFYJJMCC-UHFFFAOYSA-N -1 0 351.363 -0.668 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)cn1 ZINC000663126649 483951040 /nfs/dbraw/zinc/95/10/40/483951040.db2.gz CGYLQMWOOSGMHU-UHFFFAOYSA-N -1 0 370.391 -0.647 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000663126964 483950287 /nfs/dbraw/zinc/95/02/87/483950287.db2.gz DXEYERKDWLTTLS-GFCCVEGCSA-N -1 0 365.390 -0.232 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000663126965 483950496 /nfs/dbraw/zinc/95/04/96/483950496.db2.gz DXEYERKDWLTTLS-LBPRGKRZSA-N -1 0 365.390 -0.232 20 0 FBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C2CCN(S(N)(=O)=O)CC2)cn1 ZINC000663127482 483950831 /nfs/dbraw/zinc/95/08/31/483950831.db2.gz MFFZAPOXYOXNEK-UHFFFAOYSA-N -1 0 359.408 -0.443 20 0 FBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)cn1 ZINC000663128172 483950277 /nfs/dbraw/zinc/95/02/77/483950277.db2.gz FWVKQIHGEDPCIE-SECBINFHSA-N -1 0 359.408 -0.443 20 0 FBADRM CC(C)(C(=O)[O-])n1cc(NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)cn1 ZINC000663128173 483951167 /nfs/dbraw/zinc/95/11/67/483951167.db2.gz FWVKQIHGEDPCIE-VIFPVBQESA-N -1 0 359.408 -0.443 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000663128215 483950145 /nfs/dbraw/zinc/95/01/45/483950145.db2.gz HJKJCZLWIMMXHJ-UHFFFAOYSA-N -1 0 362.408 -0.403 20 0 FBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000663128241 483950213 /nfs/dbraw/zinc/95/02/13/483950213.db2.gz IBJGJRIZKHCKQO-UHFFFAOYSA-N -1 0 355.376 -0.059 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)c1 ZINC000663128246 483951151 /nfs/dbraw/zinc/95/11/51/483951151.db2.gz IEYJHLXKRBMEGB-UHFFFAOYSA-N -1 0 370.391 -0.647 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CCNS(=O)(=O)c1cccs1)C2 ZINC000663128660 483950807 /nfs/dbraw/zinc/95/08/07/483950807.db2.gz BMYXTNTUTLEJHZ-QMTHXVAHSA-N -1 0 374.440 -0.024 20 0 FBADRM Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ccc1S(N)(=O)=O ZINC000663128691 483949897 /nfs/dbraw/zinc/94/98/97/483949897.db2.gz CQMWMRNRJXTHKA-IAQYHMDHSA-N -1 0 354.384 -0.184 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)cnc21 ZINC000663128705 483950092 /nfs/dbraw/zinc/95/00/92/483950092.db2.gz DUXYLXUPWMOZIR-JDNHERCYSA-N -1 0 360.326 -0.793 20 0 FBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000663128748 483950593 /nfs/dbraw/zinc/95/05/93/483950593.db2.gz GDZDKBKGGADNAU-MEBBXXQBSA-N -1 0 371.415 -0.125 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)n1cccn1 ZINC000663129001 483951204 /nfs/dbraw/zinc/95/12/04/483951204.db2.gz GKWBFKPCWZGIGK-HWWQOWPSSA-N -1 0 350.375 -0.538 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)n1cccn1 ZINC000663129002 483951021 /nfs/dbraw/zinc/95/10/21/483951021.db2.gz GKWBFKPCWZGIGK-XHBSWPGZSA-N -1 0 350.375 -0.538 20 0 FBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000663129006 483951130 /nfs/dbraw/zinc/95/11/30/483951130.db2.gz GNINDVXOXYUBSF-IXPVHAAZSA-N -1 0 360.432 -0.348 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CNS(=O)(=O)c1ccccc1F)C2 ZINC000663129026 483950344 /nfs/dbraw/zinc/95/03/44/483950344.db2.gz HENOTAKBSLKFLV-MEBBXXQBSA-N -1 0 372.374 -0.336 20 0 FBADRM Cc1ccc(S(=O)(=O)NCC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC000663129076 483949946 /nfs/dbraw/zinc/94/99/46/483949946.db2.gz ICGLMZNWWYSLPM-MLGOLLRUSA-N -1 0 368.411 -0.167 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CNS(=O)(=O)c1cccc(F)c1)C2 ZINC000663129525 483952126 /nfs/dbraw/zinc/95/21/26/483952126.db2.gz NBFVYZIMOZCAOZ-MEBBXXQBSA-N -1 0 372.374 -0.336 20 0 FBADRM O=C(COCC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)NCc1cccnc1 ZINC000663129701 483952447 /nfs/dbraw/zinc/95/24/47/483952447.db2.gz QIDOXIQQSBKHHX-CXAGYDPISA-N -1 0 363.370 -0.726 20 0 FBADRM Cc1cc(S(N)(=O)=O)sc1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000663129829 483952214 /nfs/dbraw/zinc/95/22/14/483952214.db2.gz XAONKNJPWYVBAE-AMIZOPFISA-N -1 0 360.413 -0.123 20 0 FBADRM Cc1ccc(S(N)(=O)=O)c(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000663129881 483952413 /nfs/dbraw/zinc/95/24/13/483952413.db2.gz YTHQUPCCWZFGQD-MEBBXXQBSA-N -1 0 354.384 -0.184 20 0 FBADRM O=C([O-])[C@]1(NC(=O)CNC(=O)c2cnc3ccccc3c2O)CCOC1 ZINC000663130099 483952674 /nfs/dbraw/zinc/95/26/74/483952674.db2.gz FJKUMZMKWLXMKN-KRWDZBQOSA-N -1 0 359.338 -0.382 20 0 FBADRM O=C([O-])[C@@]1(NC(=O)CNC(=O)c2cnc3ccccc3c2O)CCOC1 ZINC000663130100 483951884 /nfs/dbraw/zinc/95/18/84/483951884.db2.gz FJKUMZMKWLXMKN-QGZVFWFLSA-N -1 0 359.338 -0.382 20 0 FBADRM Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000663130157 483952189 /nfs/dbraw/zinc/95/21/89/483952189.db2.gz BIXJXQJFHSTFQL-IAQYHMDHSA-N -1 0 354.384 -0.184 20 0 FBADRM CN1C(=O)N(CC(=O)N[C@@]2(C(=O)[O-])CCOC2)C(=O)C12CCCCC2 ZINC000663130163 483951920 /nfs/dbraw/zinc/95/19/20/483951920.db2.gz BNQDQISLFCVARF-HNNXBMFYSA-N -1 0 353.375 -0.057 20 0 FBADRM CN1C(=O)N(CC(=O)N[C@]2(C(=O)[O-])CCOC2)C(=O)C12CCCCC2 ZINC000663130164 483952634 /nfs/dbraw/zinc/95/26/34/483952634.db2.gz BNQDQISLFCVARF-OAHLLOKOSA-N -1 0 353.375 -0.057 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)s1 ZINC000663130379 483951799 /nfs/dbraw/zinc/95/17/99/483951799.db2.gz HAWYNMSEKODYNR-AMIZOPFISA-N -1 0 360.413 -0.502 20 0 FBADRM CS(=O)(=O)c1nc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c2ccccn21 ZINC000663130504 483951940 /nfs/dbraw/zinc/95/19/40/483951940.db2.gz KRPWNFNSJHYDOB-AWEZNQCLSA-N -1 0 353.356 -0.289 20 0 FBADRM CS(=O)(=O)c1nc(C(=O)N[C@]2(C(=O)[O-])CCOC2)c2ccccn21 ZINC000663130505 483952368 /nfs/dbraw/zinc/95/23/68/483952368.db2.gz KRPWNFNSJHYDOB-CQSZACIVSA-N -1 0 353.356 -0.289 20 0 FBADRM CS(=O)(=O)NCCc1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)s1 ZINC000663130518 483951742 /nfs/dbraw/zinc/95/17/42/483951742.db2.gz ITJDALFQPVETPC-CYBMUJFWSA-N -1 0 362.429 -0.187 20 0 FBADRM CS(=O)(=O)NCCc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)s1 ZINC000663130519 483951995 /nfs/dbraw/zinc/95/19/95/483951995.db2.gz ITJDALFQPVETPC-ZDUSSCGKSA-N -1 0 362.429 -0.187 20 0 FBADRM CS(=O)(=O)NCCc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000663130563 483952253 /nfs/dbraw/zinc/95/22/53/483952253.db2.gz KDASBSRXNLWLOK-HNNXBMFYSA-N -1 0 356.400 -0.248 20 0 FBADRM CS(=O)(=O)NCCc1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000663130564 483952853 /nfs/dbraw/zinc/95/28/53/483952853.db2.gz KDASBSRXNLWLOK-OAHLLOKOSA-N -1 0 356.400 -0.248 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@]3(C(=O)[O-])CCOC3)cc(C3CC3)nc21 ZINC000663130737 483952824 /nfs/dbraw/zinc/95/28/24/483952824.db2.gz NEULNEKQIKHLFJ-KRWDZBQOSA-N -1 0 374.353 -0.115 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2c(C(=O)N[C@]3(C(=O)[O-])CCOC3)cc(C3CC3)nc21 ZINC000663130738 483952710 /nfs/dbraw/zinc/95/27/10/483952710.db2.gz NEULNEKQIKHLFJ-QGZVFWFLSA-N -1 0 374.353 -0.115 20 0 FBADRM O=C([O-])[C@@]1(NC(=O)c2nc3ncc(Br)cn3n2)CCOC1 ZINC000663130890 483952038 /nfs/dbraw/zinc/95/20/38/483952038.db2.gz OJURAQCSQARPGA-LLVKDONJSA-N -1 0 356.136 -0.140 20 0 FBADRM O=C([O-])[C@]1(NC(=O)c2nc3ncc(Br)cn3n2)CCOC1 ZINC000663130891 483952525 /nfs/dbraw/zinc/95/25/25/483952525.db2.gz OJURAQCSQARPGA-NSHDSACASA-N -1 0 356.136 -0.140 20 0 FBADRM O=C([O-])[C@]1(NC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CCOC1 ZINC000663130938 483952813 /nfs/dbraw/zinc/95/28/13/483952813.db2.gz ARTTWLUGXLPXPH-AWEZNQCLSA-N -1 0 368.371 -0.799 20 0 FBADRM O=C([O-])[C@@]1(NC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CCOC1 ZINC000663130939 483951910 /nfs/dbraw/zinc/95/19/10/483951910.db2.gz ARTTWLUGXLPXPH-CQSZACIVSA-N -1 0 368.371 -0.799 20 0 FBADRM NS(=O)(=O)c1cccc2c1ccnc2C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000663130994 483952003 /nfs/dbraw/zinc/95/20/03/483952003.db2.gz BSSSPIIBEIDVCJ-HNNXBMFYSA-N -1 0 365.367 -0.144 20 0 FBADRM NS(=O)(=O)c1cccc2c1ccnc2C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000663130995 483952073 /nfs/dbraw/zinc/95/20/73/483952073.db2.gz BSSSPIIBEIDVCJ-OAHLLOKOSA-N -1 0 365.367 -0.144 20 0 FBADRM Cc1ccc(C)c(S(=O)(=O)NCC(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000663131006 483952397 /nfs/dbraw/zinc/95/23/97/483952397.db2.gz BUWXHDIZLWGJHA-HNNXBMFYSA-N -1 0 356.400 -0.058 20 0 FBADRM Cc1ccc(C)c(S(=O)(=O)NCC(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000663131007 483951724 /nfs/dbraw/zinc/95/17/24/483951724.db2.gz BUWXHDIZLWGJHA-OAHLLOKOSA-N -1 0 356.400 -0.058 20 0 FBADRM CNC(=O)COc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1OC ZINC000663131336 483952351 /nfs/dbraw/zinc/95/23/51/483952351.db2.gz QJYZYCIWXAMLKY-INIZCTEOSA-N -1 0 352.343 -0.207 20 0 FBADRM CNC(=O)COc1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1OC ZINC000663131338 483952265 /nfs/dbraw/zinc/95/22/65/483952265.db2.gz QJYZYCIWXAMLKY-MRXNPFEDSA-N -1 0 352.343 -0.207 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@]1(C(=O)[O-])CCOC1)C2=O ZINC000663131372 483952179 /nfs/dbraw/zinc/95/21/79/483952179.db2.gz QXBSXGOZNCUGBO-KPALFNEHSA-N -1 0 353.375 -0.153 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@]1(C(=O)[O-])CCOC1)C2=O ZINC000663131379 483952226 /nfs/dbraw/zinc/95/22/26/483952226.db2.gz QXBSXGOZNCUGBO-XTQHVIMUSA-N -1 0 353.375 -0.153 20 0 FBADRM O=C([O-])[C@@]1(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CCOC1 ZINC000663131432 483952617 /nfs/dbraw/zinc/95/26/17/483952617.db2.gz RNHUJAFPPLHXIB-LLVKDONJSA-N -1 0 362.136 -0.929 20 0 FBADRM O=C([O-])[C@]1(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CCOC1 ZINC000663131433 483951973 /nfs/dbraw/zinc/95/19/73/483951973.db2.gz RNHUJAFPPLHXIB-NSHDSACASA-N -1 0 362.136 -0.929 20 0 FBADRM O=C(CCC(=O)N[C@@]1(C(=O)[O-])CCOC1)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000663131682 483952805 /nfs/dbraw/zinc/95/28/05/483952805.db2.gz GTIVYWULFXDYRO-HNNXBMFYSA-N -1 0 363.330 -0.258 20 0 FBADRM O=C(CCC(=O)N[C@]1(C(=O)[O-])CCOC1)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000663131684 483952013 /nfs/dbraw/zinc/95/20/13/483952013.db2.gz GTIVYWULFXDYRO-OAHLLOKOSA-N -1 0 363.330 -0.258 20 0 FBADRM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@]1(C(=O)[O-])CCOC1)C2=O ZINC000663131792 483951930 /nfs/dbraw/zinc/95/19/30/483951930.db2.gz TWGIZZMPQDDYQT-GTTSAUCSSA-N -1 0 353.375 -0.153 20 0 FBADRM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N[C@@]1(C(=O)[O-])CCOC1)C2=O ZINC000663131793 483952560 /nfs/dbraw/zinc/95/25/60/483952560.db2.gz TWGIZZMPQDDYQT-HPEXNQPKSA-N -1 0 353.375 -0.153 20 0 FBADRM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N[C@]1(C(=O)[O-])CCOC1)C2=O ZINC000663131794 483952494 /nfs/dbraw/zinc/95/24/94/483952494.db2.gz TWGIZZMPQDDYQT-UHNFBRDESA-N -1 0 353.375 -0.153 20 0 FBADRM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@@]1(C(=O)[O-])CCOC1)C2=O ZINC000663131795 483952357 /nfs/dbraw/zinc/95/23/57/483952357.db2.gz TWGIZZMPQDDYQT-VFVAKGGASA-N -1 0 353.375 -0.153 20 0 FBADRM O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)N[C@@]1(C(=O)[O-])CCOC1 ZINC000663132100 483952469 /nfs/dbraw/zinc/95/24/69/483952469.db2.gz VIYSDIOPFASLGQ-HNNXBMFYSA-N -1 0 370.383 -0.645 20 0 FBADRM O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)N[C@]1(C(=O)[O-])CCOC1 ZINC000663132101 483951787 /nfs/dbraw/zinc/95/17/87/483951787.db2.gz VIYSDIOPFASLGQ-OAHLLOKOSA-N -1 0 370.383 -0.645 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000663132135 483952375 /nfs/dbraw/zinc/95/23/75/483952375.db2.gz ITIJIGZDDRZEFW-HNNXBMFYSA-N -1 0 370.383 -0.473 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000663132139 483952796 /nfs/dbraw/zinc/95/27/96/483952796.db2.gz ITIJIGZDDRZEFW-OAHLLOKOSA-N -1 0 370.383 -0.473 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000663132253 483952334 /nfs/dbraw/zinc/95/23/34/483952334.db2.gz JRVHWXBXXSBAQD-HNNXBMFYSA-N -1 0 370.383 -0.473 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000663132254 483951983 /nfs/dbraw/zinc/95/19/83/483951983.db2.gz JRVHWXBXXSBAQD-OAHLLOKOSA-N -1 0 370.383 -0.473 20 0 FBADRM Cc1ccc(S(=O)(=O)NCC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1C ZINC000663132255 483952142 /nfs/dbraw/zinc/95/21/42/483952142.db2.gz JSLBAJYXZLMPEC-HNNXBMFYSA-N -1 0 356.400 -0.058 20 0 FBADRM Cc1ccc(S(=O)(=O)NCC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1C ZINC000663132256 483952194 /nfs/dbraw/zinc/95/21/94/483952194.db2.gz JSLBAJYXZLMPEC-OAHLLOKOSA-N -1 0 356.400 -0.058 20 0 FBADRM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000663132275 483952507 /nfs/dbraw/zinc/95/25/07/483952507.db2.gz WDROCAAVERELJC-YMTOWFKASA-N -1 0 358.372 -0.283 20 0 FBADRM O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000663132289 483952386 /nfs/dbraw/zinc/95/23/86/483952386.db2.gz WJLYFRBWWATLFW-GOSISDBHSA-N -1 0 373.365 -0.582 20 0 FBADRM O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000663132290 483951773 /nfs/dbraw/zinc/95/17/73/483951773.db2.gz WJLYFRBWWATLFW-SFHVURJKSA-N -1 0 373.365 -0.582 20 0 FBADRM O=C([O-])[C@]1(NC(=O)CCNS(=O)(=O)c2ccccc2F)CCOC1 ZINC000663132328 483952242 /nfs/dbraw/zinc/95/22/42/483952242.db2.gz XSEYLUSWDSPBFV-AWEZNQCLSA-N -1 0 360.363 -0.146 20 0 FBADRM O=C([O-])[C@@]1(NC(=O)CCNS(=O)(=O)c2ccccc2F)CCOC1 ZINC000663132329 483952163 /nfs/dbraw/zinc/95/21/63/483952163.db2.gz XSEYLUSWDSPBFV-CQSZACIVSA-N -1 0 360.363 -0.146 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000663132579 483952050 /nfs/dbraw/zinc/95/20/50/483952050.db2.gz ZXEVDMBZGCSWPH-LKFCYVNXSA-N -1 0 360.363 -0.148 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000663132589 483952728 /nfs/dbraw/zinc/95/27/28/483952728.db2.gz ZXEVDMBZGCSWPH-XPTSAGLGSA-N -1 0 360.363 -0.148 20 0 FBADRM CCN1CCN(CC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)C(=O)C1=O ZINC000663133247 483951952 /nfs/dbraw/zinc/95/19/52/483951952.db2.gz BKXNLYKXHHJIBX-AWEZNQCLSA-N -1 0 359.382 -0.112 20 0 FBADRM CCN1CCN(CC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)C(=O)C1=O ZINC000663133249 483952365 /nfs/dbraw/zinc/95/23/65/483952365.db2.gz BKXNLYKXHHJIBX-CQSZACIVSA-N -1 0 359.382 -0.112 20 0 FBADRM O=C([O-])[C@@]1(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CCOC1 ZINC000663133334 483952314 /nfs/dbraw/zinc/95/23/14/483952314.db2.gz QGLHMKFHQDRPLO-CYBMUJFWSA-N -1 0 362.791 -0.022 20 0 FBADRM O=C([O-])[C@]1(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CCOC1 ZINC000663133335 483952115 /nfs/dbraw/zinc/95/21/15/483952115.db2.gz QGLHMKFHQDRPLO-ZDUSSCGKSA-N -1 0 362.791 -0.022 20 0 FBADRM CC(C)(C)CN(CC(=O)[O-])C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000663136913 483952697 /nfs/dbraw/zinc/95/26/97/483952697.db2.gz MFVPDILNDUFHHD-UHFFFAOYSA-N -1 0 374.419 -0.649 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000663137763 483951824 /nfs/dbraw/zinc/95/18/24/483951824.db2.gz AJXUTWMDQJYMNJ-UHFFFAOYSA-N -1 0 362.408 -0.403 20 0 FBADRM CC(C)C[C@H](CNC(=O)CNS(=O)(=O)c1cn(C)cn1)CC(=O)[O-] ZINC000663137908 483952454 /nfs/dbraw/zinc/95/24/54/483952454.db2.gz AFMSESBKLREMIV-NSHDSACASA-N -1 0 360.436 -0.048 20 0 FBADRM CC(C)C[C@H](CNC(=O)CNS(=O)(=O)c1cnn(C)c1)CC(=O)[O-] ZINC000663139038 483952232 /nfs/dbraw/zinc/95/22/32/483952232.db2.gz UNMUTUZERLHDBO-NSHDSACASA-N -1 0 360.436 -0.048 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)c1 ZINC000663139157 483952599 /nfs/dbraw/zinc/95/25/99/483952599.db2.gz XKRZSBUEPLGAGD-UHFFFAOYSA-N -1 0 370.391 -0.647 20 0 FBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000663139192 483952864 /nfs/dbraw/zinc/95/28/64/483952864.db2.gz YMDLIZWTVQSPQD-UHFFFAOYSA-N -1 0 355.376 -0.059 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000663139539 483952345 /nfs/dbraw/zinc/95/23/45/483952345.db2.gz ABRBTEJSJQUCEI-LLVKDONJSA-N -1 0 365.390 -0.232 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000663139540 483951812 /nfs/dbraw/zinc/95/18/12/483951812.db2.gz ABRBTEJSJQUCEI-NSHDSACASA-N -1 0 365.390 -0.232 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)n1 ZINC000663139574 483952026 /nfs/dbraw/zinc/95/20/26/483952026.db2.gz JTFJDEUMVBQSHL-SECBINFHSA-N -1 0 359.408 -0.443 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)n1 ZINC000663139575 483952381 /nfs/dbraw/zinc/95/23/81/483952381.db2.gz JTFJDEUMVBQSHL-VIFPVBQESA-N -1 0 359.408 -0.443 20 0 FBADRM CCN1CCN(CC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C(=O)C1=O ZINC000663139701 483952550 /nfs/dbraw/zinc/95/25/50/483952550.db2.gz CKDBUAFAGKGBTA-UHFFFAOYSA-N -1 0 351.363 -0.668 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)cn1 ZINC000663139901 483952204 /nfs/dbraw/zinc/95/22/04/483952204.db2.gz FZXJVNZZNMCBCB-UHFFFAOYSA-N -1 0 370.391 -0.647 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C2CCN(S(N)(=O)=O)CC2)n1 ZINC000663140648 483952323 /nfs/dbraw/zinc/95/23/23/483952323.db2.gz NJLHVVAPBUMCGA-UHFFFAOYSA-N -1 0 359.408 -0.443 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)NCC2(C(=O)[O-])CCC2)o1 ZINC000663141260 483952571 /nfs/dbraw/zinc/95/25/71/483952571.db2.gz ITAACHANUXYVCM-UHFFFAOYSA-N -1 0 359.360 -0.972 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cn1 ZINC000663141501 483952501 /nfs/dbraw/zinc/95/25/01/483952501.db2.gz KYWBXANZZYKCAZ-HNNXBMFYSA-N -1 0 366.399 -0.185 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cn1 ZINC000663141503 483952404 /nfs/dbraw/zinc/95/24/04/483952404.db2.gz KYWBXANZZYKCAZ-OAHLLOKOSA-N -1 0 366.399 -0.185 20 0 FBADRM O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC1(C(=O)[O-])CCOCC1 ZINC000663142083 483952270 /nfs/dbraw/zinc/95/22/70/483952270.db2.gz AIZWSGSZWJGZDC-UHFFFAOYSA-N -1 0 353.375 -0.009 20 0 FBADRM Cc1c(C(=O)NCC2(C(=O)[O-])CCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000663142275 483952515 /nfs/dbraw/zinc/95/25/15/483952515.db2.gz WMJDNJFJGFGRMJ-UHFFFAOYSA-N -1 0 360.370 -0.075 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000663142778 483951843 /nfs/dbraw/zinc/95/18/43/483951843.db2.gz ZDNLUIQICCTJKJ-HNNXBMFYSA-N -1 0 366.399 -0.185 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000663142779 483952150 /nfs/dbraw/zinc/95/21/50/483952150.db2.gz ZDNLUIQICCTJKJ-OAHLLOKOSA-N -1 0 366.399 -0.185 20 0 FBADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC1(C(=O)[O-])CCOCC1 ZINC000663142838 483952259 /nfs/dbraw/zinc/95/22/59/483952259.db2.gz UFWXIHVOPXUAIC-UHFFFAOYSA-N -1 0 353.375 -0.009 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)NC2(C(=O)[O-])CCOCC2)ccc1OC ZINC000663142872 483952080 /nfs/dbraw/zinc/95/20/80/483952080.db2.gz WAWFQGPHOMEURD-UHFFFAOYSA-N -1 0 372.399 -0.033 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NC2(C(=O)[O-])CCOCC2)cn1C ZINC000663142946 483952746 /nfs/dbraw/zinc/95/27/46/483952746.db2.gz YDOYIGZYMNPRML-UHFFFAOYSA-N -1 0 374.419 -0.853 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC1(C(=O)[O-])CCOCC1 ZINC000663142982 483952587 /nfs/dbraw/zinc/95/25/87/483952587.db2.gz ASQQKNWTVNXLNC-UHFFFAOYSA-N -1 0 352.409 -0.919 20 0 FBADRM C[C@@H](C(=O)NC1(C(=O)[O-])CCOCC1)N1C(=O)NC2(CCCC2)C1=O ZINC000663143097 483954377 /nfs/dbraw/zinc/95/43/77/483954377.db2.gz HLRXCLSBZKWMHA-JTQLQIEISA-N -1 0 353.375 -0.011 20 0 FBADRM C[C@H](C(=O)NC1(C(=O)[O-])CCOCC1)N1C(=O)NC2(CCCC2)C1=O ZINC000663143098 483953618 /nfs/dbraw/zinc/95/36/18/483953618.db2.gz HLRXCLSBZKWMHA-SNVBAGLBSA-N -1 0 353.375 -0.011 20 0 FBADRM O=C([O-])C1(NC(=O)CCNS(=O)(=O)c2cccnc2)CCOCC1 ZINC000663143139 483954242 /nfs/dbraw/zinc/95/42/42/483954242.db2.gz JNPSHDCYCOPFHH-UHFFFAOYSA-N -1 0 357.388 -0.500 20 0 FBADRM O=C([O-])C1(NC(=O)CNS(=O)(=O)c2ccccc2F)CCOCC1 ZINC000663143500 483954362 /nfs/dbraw/zinc/95/43/62/483954362.db2.gz BMGQXRNNGNMQAA-UHFFFAOYSA-N -1 0 360.363 -0.146 20 0 FBADRM O=C([O-])C1(NC(=O)CNS(=O)(=O)c2cccc(F)c2)CCOCC1 ZINC000663143589 483954080 /nfs/dbraw/zinc/95/40/80/483954080.db2.gz FJZYFNLYUMSBEA-UHFFFAOYSA-N -1 0 360.363 -0.146 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)NC2(C(=O)[O-])CCOCC2)n(C)c1 ZINC000663143975 483954387 /nfs/dbraw/zinc/95/43/87/483954387.db2.gz MWSHNCGHUBLERD-UHFFFAOYSA-N -1 0 359.404 -0.361 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)Nc2ccn(CC(=O)[O-])n2)cn1C ZINC000663144427 483953510 /nfs/dbraw/zinc/95/35/10/483953510.db2.gz BZYYUOXRVYKPQA-UHFFFAOYSA-N -1 0 370.391 -0.683 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)Nc2ccn(CC(=O)[O-])n2)c1 ZINC000663144443 483954197 /nfs/dbraw/zinc/95/41/97/483954197.db2.gz CKUIBCUWFFRTNI-UHFFFAOYSA-N -1 0 371.375 -0.527 20 0 FBADRM CN1C(=O)CO[C@H](C(=O)Nc2ccn(CC(=O)[O-])n2)[C@H]1c1cccnc1 ZINC000663144690 483953968 /nfs/dbraw/zinc/95/39/68/483953968.db2.gz IEDZKXNLJDKVKH-CABCVRRESA-N -1 0 359.342 -0.100 20 0 FBADRM CCN1CCN(CC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])C(=O)C1=O ZINC000663144774 483954178 /nfs/dbraw/zinc/95/41/78/483954178.db2.gz PFZSXZZZVGXPFS-HNNXBMFYSA-N -1 0 359.382 -0.112 20 0 FBADRM CCN1CCN(CC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])C(=O)C1=O ZINC000663144775 483953719 /nfs/dbraw/zinc/95/37/19/483953719.db2.gz PFZSXZZZVGXPFS-OAHLLOKOSA-N -1 0 359.382 -0.112 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000663144868 483954256 /nfs/dbraw/zinc/95/42/56/483954256.db2.gz LCYGRCILBDMALQ-MRVPVSSYSA-N -1 0 356.364 -0.993 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000663144869 483954246 /nfs/dbraw/zinc/95/42/46/483954246.db2.gz LCYGRCILBDMALQ-QMMMGPOBSA-N -1 0 356.364 -0.993 20 0 FBADRM Cc1cc(C(=O)Nc2ccn(CC(=O)[O-])n2)nc2c1c(=O)n(C)c(=O)n2C ZINC000663145208 483954125 /nfs/dbraw/zinc/95/41/25/483954125.db2.gz PCPOYGYYIXHTEM-UHFFFAOYSA-N -1 0 372.341 -0.526 20 0 FBADRM Cn1c(C(=O)Nc2ccn(CC(=O)[O-])n2)cc2c1n(C)c(=O)n(C)c2=O ZINC000663145561 483954172 /nfs/dbraw/zinc/95/41/72/483954172.db2.gz UUWYPENNBAMZRR-UHFFFAOYSA-N -1 0 360.330 -0.891 20 0 FBADRM Cc1c(C(=O)Nc2ccn(CC(=O)[O-])n2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000663145609 483953794 /nfs/dbraw/zinc/95/37/94/483953794.db2.gz VKMCUSOSXAITLU-UHFFFAOYSA-N -1 0 372.341 -0.526 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)NC[C@H](C(=O)[O-])C1CCC1)c(=O)n2C ZINC000663148109 483954340 /nfs/dbraw/zinc/95/43/40/483954340.db2.gz QZRWNKPBPNREBO-JTQLQIEISA-N -1 0 363.374 -0.949 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)NC[C@@H](C(=O)[O-])C1CCC1)c(=O)n2C ZINC000663148110 483954144 /nfs/dbraw/zinc/95/41/44/483954144.db2.gz QZRWNKPBPNREBO-SNVBAGLBSA-N -1 0 363.374 -0.949 20 0 FBADRM Cn1c2ncn(CC(=O)NC[C@H](C(=O)[O-])C3CCC3)c2c(=O)n(C)c1=O ZINC000663149701 483953559 /nfs/dbraw/zinc/95/35/59/483953559.db2.gz ZVVVDKZYNOZTFR-JTQLQIEISA-N -1 0 363.374 -0.949 20 0 FBADRM Cn1c2ncn(CC(=O)NC[C@@H](C(=O)[O-])C3CCC3)c2c(=O)n(C)c1=O ZINC000663149702 483954335 /nfs/dbraw/zinc/95/43/35/483954335.db2.gz ZVVVDKZYNOZTFR-SNVBAGLBSA-N -1 0 363.374 -0.949 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CCC1 ZINC000663150362 483953445 /nfs/dbraw/zinc/95/34/45/483953445.db2.gz PWCDBZRZVHMTDF-AGIUHOORSA-N -1 0 372.443 -0.361 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CCC1 ZINC000663150363 483954277 /nfs/dbraw/zinc/95/42/77/483954277.db2.gz PWCDBZRZVHMTDF-AVGNSLFASA-N -1 0 372.443 -0.361 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CCC1 ZINC000663150364 483954371 /nfs/dbraw/zinc/95/43/71/483954371.db2.gz PWCDBZRZVHMTDF-UPJWGTAASA-N -1 0 372.443 -0.361 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CCC1 ZINC000663150365 483954357 /nfs/dbraw/zinc/95/43/57/483954357.db2.gz PWCDBZRZVHMTDF-XQQFMLRXSA-N -1 0 372.443 -0.361 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H](C(=O)[O-])C2CCC2)cn1C ZINC000663150601 483953867 /nfs/dbraw/zinc/95/38/67/483953867.db2.gz LIOVRGQDGGEHFM-LLVKDONJSA-N -1 0 358.420 -0.376 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NC[C@H](C(=O)[O-])C2CCC2)cn1C ZINC000663150603 483954115 /nfs/dbraw/zinc/95/41/15/483954115.db2.gz LIOVRGQDGGEHFM-NSHDSACASA-N -1 0 358.420 -0.376 20 0 FBADRM Cn1c(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000663150973 483953494 /nfs/dbraw/zinc/95/34/94/483953494.db2.gz NQWINKLTARWOSQ-LLVKDONJSA-N -1 0 362.386 -0.194 20 0 FBADRM Cn1c(C(=O)NC[C@H](C(=O)[O-])C2CCC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000663150974 483953698 /nfs/dbraw/zinc/95/36/98/483953698.db2.gz NQWINKLTARWOSQ-NSHDSACASA-N -1 0 362.386 -0.194 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663151365 483954063 /nfs/dbraw/zinc/95/40/63/483954063.db2.gz ATETZEZKQXNUHW-BXKDBHETSA-N -1 0 358.420 -0.296 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663151367 483953665 /nfs/dbraw/zinc/95/36/65/483953665.db2.gz ATETZEZKQXNUHW-CABZTGNLSA-N -1 0 358.420 -0.296 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663151368 483954323 /nfs/dbraw/zinc/95/43/23/483954323.db2.gz ATETZEZKQXNUHW-JOYOIKCWSA-N -1 0 358.420 -0.296 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663151369 483953588 /nfs/dbraw/zinc/95/35/88/483953588.db2.gz ATETZEZKQXNUHW-SKDRFNHKSA-N -1 0 358.420 -0.296 20 0 FBADRM Cn1c(=O)c2cc(C(=O)NC[C@@H](C(=O)[O-])C3CCC3)cnc2n(C)c1=O ZINC000663151682 483954272 /nfs/dbraw/zinc/95/42/72/483954272.db2.gz BZPOZMIRUBJZBN-GFCCVEGCSA-N -1 0 360.370 -0.137 20 0 FBADRM Cn1c(=O)c2cc(C(=O)NC[C@H](C(=O)[O-])C3CCC3)cnc2n(C)c1=O ZINC000663151683 483954381 /nfs/dbraw/zinc/95/43/81/483954381.db2.gz BZPOZMIRUBJZBN-LBPRGKRZSA-N -1 0 360.370 -0.137 20 0 FBADRM Cn1c2[nH]c(CCC(=O)NC[C@@H](C(=O)[O-])C3CCC3)nc2c(=O)[nH]c1=O ZINC000663152642 483953925 /nfs/dbraw/zinc/95/39/25/483953925.db2.gz WDWSWUQYJFMQBP-SECBINFHSA-N -1 0 363.374 -0.088 20 0 FBADRM Cn1c2[nH]c(CCC(=O)NC[C@H](C(=O)[O-])C3CCC3)nc2c(=O)[nH]c1=O ZINC000663152644 483953674 /nfs/dbraw/zinc/95/36/74/483953674.db2.gz WDWSWUQYJFMQBP-VIFPVBQESA-N -1 0 363.374 -0.088 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCC1 ZINC000663153221 483954021 /nfs/dbraw/zinc/95/40/21/483954021.db2.gz JGCFJLLUQWPUMQ-CABCVRRESA-N -1 0 367.446 -0.216 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCC1 ZINC000663153223 483954102 /nfs/dbraw/zinc/95/41/02/483954102.db2.gz JGCFJLLUQWPUMQ-GJZGRUSLSA-N -1 0 367.446 -0.216 20 0 FBADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCC1 ZINC000663153224 483954132 /nfs/dbraw/zinc/95/41/32/483954132.db2.gz JGCFJLLUQWPUMQ-HUUCEWRRSA-N -1 0 367.446 -0.216 20 0 FBADRM O=C([O-])[C@H](CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCC1 ZINC000663153226 483953465 /nfs/dbraw/zinc/95/34/65/483953465.db2.gz JGCFJLLUQWPUMQ-LSDHHAIUSA-N -1 0 367.446 -0.216 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NC[C@@H](C(=O)[O-])C3CCC3)nc2n(C)c1=O ZINC000663154696 483953757 /nfs/dbraw/zinc/95/37/57/483953757.db2.gz LYUSHDYMNDQXPV-LLVKDONJSA-N -1 0 360.370 -0.137 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NC[C@H](C(=O)[O-])C3CCC3)nc2n(C)c1=O ZINC000663154697 483954331 /nfs/dbraw/zinc/95/43/31/483954331.db2.gz LYUSHDYMNDQXPV-NSHDSACASA-N -1 0 360.370 -0.137 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663154720 483954309 /nfs/dbraw/zinc/95/43/09/483954309.db2.gz MLQHEHLFXVTQQY-GFCCVEGCSA-N -1 0 350.437 -0.052 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663154721 483954005 /nfs/dbraw/zinc/95/40/05/483954005.db2.gz MLQHEHLFXVTQQY-LBPRGKRZSA-N -1 0 350.437 -0.052 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)o1 ZINC000663155918 483953979 /nfs/dbraw/zinc/95/39/79/483953979.db2.gz YIKHJYDSFVBBGD-SECBINFHSA-N -1 0 373.387 -0.726 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCC2)o1 ZINC000663155919 483954294 /nfs/dbraw/zinc/95/42/94/483954294.db2.gz YIKHJYDSFVBBGD-VIFPVBQESA-N -1 0 373.387 -0.726 20 0 FBADRM O=C([O-])CN1CC[C@@H](n2cc(S(=O)(=O)N3CCCC3)ccc2=O)C1=O ZINC000663218533 483955740 /nfs/dbraw/zinc/95/57/40/483955740.db2.gz GQIFZVYMXQQGKD-GFCCVEGCSA-N -1 0 369.399 -0.509 20 0 FBADRM O=C([O-])CN1CC[C@H](n2cc(S(=O)(=O)N3CCCC3)ccc2=O)C1=O ZINC000663218534 483955548 /nfs/dbraw/zinc/95/55/48/483955548.db2.gz GQIFZVYMXQQGKD-LBPRGKRZSA-N -1 0 369.399 -0.509 20 0 FBADRM O=C([O-])CN1CC[C@H](N2C(=O)C(=O)N(CCc3cccs3)C2=O)C1=O ZINC000663218824 483955953 /nfs/dbraw/zinc/95/59/53/483955953.db2.gz IUJPDDOYGZNLBZ-JTQLQIEISA-N -1 0 365.367 -0.233 20 0 FBADRM O=C([O-])CN1CC[C@@H](N2C(=O)C(=O)N(CCc3cccs3)C2=O)C1=O ZINC000663218825 483956136 /nfs/dbraw/zinc/95/61/36/483956136.db2.gz IUJPDDOYGZNLBZ-SNVBAGLBSA-N -1 0 365.367 -0.233 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(=O)n([C@@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC000663219561 483955844 /nfs/dbraw/zinc/95/58/44/483955844.db2.gz PYKVEWMWGLDVSV-GFCCVEGCSA-N -1 0 371.415 -0.263 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(=O)n([C@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC000663219562 483955925 /nfs/dbraw/zinc/95/59/25/483955925.db2.gz PYKVEWMWGLDVSV-LBPRGKRZSA-N -1 0 371.415 -0.263 20 0 FBADRM CN(Cc1nnn([C@@H]2CCN(CC(=O)[O-])C2=O)n1)C(=O)c1ccccc1 ZINC000663220381 483956270 /nfs/dbraw/zinc/95/62/70/483956270.db2.gz QTFONCJEFTXUOP-GFCCVEGCSA-N -1 0 358.358 -0.197 20 0 FBADRM CN(Cc1nnn([C@H]2CCN(CC(=O)[O-])C2=O)n1)C(=O)c1ccccc1 ZINC000663220383 483955864 /nfs/dbraw/zinc/95/58/64/483955864.db2.gz QTFONCJEFTXUOP-LBPRGKRZSA-N -1 0 358.358 -0.197 20 0 FBADRM CS(=O)(=O)c1ccc2ncn([C@@H]3CCN(CC(=O)[O-])C3=O)c(=O)c2c1 ZINC000663220652 483955948 /nfs/dbraw/zinc/95/59/48/483955948.db2.gz SYTGPULVLBDTTQ-GFCCVEGCSA-N -1 0 365.367 -0.342 20 0 FBADRM CS(=O)(=O)c1ccc2ncn([C@H]3CCN(CC(=O)[O-])C3=O)c(=O)c2c1 ZINC000663220653 483955834 /nfs/dbraw/zinc/95/58/34/483955834.db2.gz SYTGPULVLBDTTQ-LBPRGKRZSA-N -1 0 365.367 -0.342 20 0 FBADRM O=C([O-])CN1CC[C@@H](n2nnc3c(cnn3-c3ccccc3)c2=O)C1=O ZINC000663221048 483956048 /nfs/dbraw/zinc/95/60/48/483956048.db2.gz YCZYSUNSMJNPQR-GFCCVEGCSA-N -1 0 354.326 -0.165 20 0 FBADRM O=C([O-])CN1CC[C@H](n2nnc3c(cnn3-c3ccccc3)c2=O)C1=O ZINC000663221057 483955971 /nfs/dbraw/zinc/95/59/71/483955971.db2.gz YCZYSUNSMJNPQR-LBPRGKRZSA-N -1 0 354.326 -0.165 20 0 FBADRM O=C([O-])CN1CC[C@@H](n2cnc3c(nnn3-c3ccccc3)c2=O)C1=O ZINC000663221087 483956029 /nfs/dbraw/zinc/95/60/29/483956029.db2.gz YMDXEXMHTULFEB-LLVKDONJSA-N -1 0 354.326 -0.165 20 0 FBADRM O=C([O-])CN1CC[C@H](n2cnc3c(nnn3-c3ccccc3)c2=O)C1=O ZINC000663221090 483955485 /nfs/dbraw/zinc/95/54/85/483955485.db2.gz YMDXEXMHTULFEB-NSHDSACASA-N -1 0 354.326 -0.165 20 0 FBADRM Cn1nnc(CS(=O)(=O)c2nnc(-c3ccc4c(c3)OCCO4)[n-]2)n1 ZINC000663249374 483955271 /nfs/dbraw/zinc/95/52/71/483955271.db2.gz XHRFPIJZRVSPEZ-UHFFFAOYSA-N -1 0 363.359 -0.260 20 0 FBADRM Cc1nnc2n1C[C@@H](C(=O)[O-])N(S(=O)(=O)c1ccc3c(c1)OCO3)C2 ZINC000663252140 483955204 /nfs/dbraw/zinc/95/52/04/483955204.db2.gz AUIVKXNKGKIDAW-JTQLQIEISA-N -1 0 366.355 -0.027 20 0 FBADRM Cc1nnc2n1C[C@H](C(=O)[O-])N(S(=O)(=O)c1ccc3c(c1)OCO3)C2 ZINC000663252141 483955322 /nfs/dbraw/zinc/95/53/22/483955322.db2.gz AUIVKXNKGKIDAW-SNVBAGLBSA-N -1 0 366.355 -0.027 20 0 FBADRM COc1ccc(S(=O)(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)[O-])cn1 ZINC000663252201 483954845 /nfs/dbraw/zinc/95/48/45/483954845.db2.gz COYSHXRWJKILAA-JTQLQIEISA-N -1 0 353.360 -0.352 20 0 FBADRM COc1ccc(S(=O)(=O)N2Cc3nnc(C)n3C[C@@H]2C(=O)[O-])cn1 ZINC000663252202 483955856 /nfs/dbraw/zinc/95/58/56/483955856.db2.gz COYSHXRWJKILAA-SNVBAGLBSA-N -1 0 353.360 -0.352 20 0 FBADRM COc1cc(F)ccc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000663252272 483955730 /nfs/dbraw/zinc/95/57/30/483955730.db2.gz GCKVKGODPYTZBT-MRVPVSSYSA-N -1 0 372.334 -0.211 20 0 FBADRM COc1cc(F)ccc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000663252273 483955964 /nfs/dbraw/zinc/95/59/64/483955964.db2.gz GCKVKGODPYTZBT-QMMMGPOBSA-N -1 0 372.334 -0.211 20 0 FBADRM Cc1nnc2n1C[C@H](C(=O)[O-])N(S(=O)(=O)c1cc(Cl)cnc1N)C2 ZINC000663252340 483957498 /nfs/dbraw/zinc/95/74/98/483957498.db2.gz HMAVRRXGUKQKNM-MRVPVSSYSA-N -1 0 372.794 -0.125 20 0 FBADRM Cc1nnc2n1C[C@@H](C(=O)[O-])N(S(=O)(=O)c1cc(Cl)cnc1N)C2 ZINC000663252341 483957154 /nfs/dbraw/zinc/95/71/54/483957154.db2.gz HMAVRRXGUKQKNM-QMMMGPOBSA-N -1 0 372.794 -0.125 20 0 FBADRM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2ccn(C)n2)CC1 ZINC000663252767 483957679 /nfs/dbraw/zinc/95/76/79/483957679.db2.gz CUPKNFHJSQQEQZ-GFCCVEGCSA-N -1 0 358.420 -0.104 20 0 FBADRM CC(=O)N(CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2ccn(C)n2)CC1 ZINC000663252769 483957700 /nfs/dbraw/zinc/95/77/00/483957700.db2.gz CUPKNFHJSQQEQZ-LBPRGKRZSA-N -1 0 358.420 -0.104 20 0 FBADRM Cc1nnc2n1C[C@H](C(=O)[O-])N(S(=O)(=O)c1cccc3c1OCO3)C2 ZINC000663253068 483956902 /nfs/dbraw/zinc/95/69/02/483956902.db2.gz PKIHZYZUZXGCAK-SECBINFHSA-N -1 0 366.355 -0.027 20 0 FBADRM Cc1nnc2n1C[C@@H](C(=O)[O-])N(S(=O)(=O)c1cccc3c1OCO3)C2 ZINC000663253069 483957753 /nfs/dbraw/zinc/95/77/53/483957753.db2.gz PKIHZYZUZXGCAK-VIFPVBQESA-N -1 0 366.355 -0.027 20 0 FBADRM Cc1nnc2n1C[C@H](C(=O)[O-])N(S(=O)(=O)c1cc(C)cnc1N)C2 ZINC000663253252 483957225 /nfs/dbraw/zinc/95/72/25/483957225.db2.gz RRURIPGKFWCASB-SECBINFHSA-N -1 0 352.376 -0.470 20 0 FBADRM Cc1nnc2n1C[C@@H](C(=O)[O-])N(S(=O)(=O)c1cc(C)cnc1N)C2 ZINC000663253253 483957088 /nfs/dbraw/zinc/95/70/88/483957088.db2.gz RRURIPGKFWCASB-VIFPVBQESA-N -1 0 352.376 -0.470 20 0 FBADRM Cc1nnc2n1C[C@H](C(=O)[O-])N(S(=O)(=O)c1ccc(N(C)C)nc1)C2 ZINC000663253506 483957816 /nfs/dbraw/zinc/95/78/16/483957816.db2.gz UQQGGARPYRZNPB-LLVKDONJSA-N -1 0 366.403 -0.295 20 0 FBADRM Cc1nnc2n1C[C@@H](C(=O)[O-])N(S(=O)(=O)c1ccc(N(C)C)nc1)C2 ZINC000663253511 483957627 /nfs/dbraw/zinc/95/76/27/483957627.db2.gz UQQGGARPYRZNPB-NSHDSACASA-N -1 0 366.403 -0.295 20 0 FBADRM O=C([O-])[C@@H](CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CCC1 ZINC000663254511 483957481 /nfs/dbraw/zinc/95/74/81/483957481.db2.gz KCMJTYJZAVNFDU-JTQLQIEISA-N -1 0 367.383 -0.004 20 0 FBADRM O=C([O-])[C@H](CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CCC1 ZINC000663254512 483957691 /nfs/dbraw/zinc/95/76/91/483957691.db2.gz KCMJTYJZAVNFDU-SNVBAGLBSA-N -1 0 367.383 -0.004 20 0 FBADRM O=C([O-])C1(NS(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)CCOCC1 ZINC000663256021 483957195 /nfs/dbraw/zinc/95/71/95/483957195.db2.gz QFDMMDJPIDNBNY-UHFFFAOYSA-N -1 0 353.356 -0.165 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663257338 483956855 /nfs/dbraw/zinc/95/68/55/483956855.db2.gz ZWRDABGJNIFLEO-LLVKDONJSA-N -1 0 356.466 -0.312 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663257340 483956982 /nfs/dbraw/zinc/95/69/82/483956982.db2.gz ZWRDABGJNIFLEO-NSHDSACASA-N -1 0 356.466 -0.312 20 0 FBADRM CCc1nc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cn1CC1CC1 ZINC000663285925 658835026 /nfs/dbraw/zinc/83/50/26/658835026.db2.gz LLPNGSNCVSWBDB-JTQLQIEISA-N -1 0 358.420 -0.148 20 0 FBADRM CCc1nc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cn1CC1CC1 ZINC000663285928 483957010 /nfs/dbraw/zinc/95/70/10/483957010.db2.gz LLPNGSNCVSWBDB-SNVBAGLBSA-N -1 0 358.420 -0.148 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CC3(CCOCC3)[C@H]2C(=O)[O-])cn1C ZINC000663286688 658834969 /nfs/dbraw/zinc/83/49/69/658834969.db2.gz DYERVUDTZLGXJS-GFCCVEGCSA-N -1 0 371.415 -0.361 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CC3(CCOCC3)[C@@H]2C(=O)[O-])cn1C ZINC000663286697 483957431 /nfs/dbraw/zinc/95/74/31/483957431.db2.gz DYERVUDTZLGXJS-LBPRGKRZSA-N -1 0 371.415 -0.361 20 0 FBADRM C[C@@H]1[C@H]2C[C@]1(C(=O)[O-])N(S(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C2 ZINC000663288039 483957651 /nfs/dbraw/zinc/95/76/51/483957651.db2.gz CUDCTXQQEHZOAA-ZDMBXUJBSA-N -1 0 360.413 -0.182 20 0 FBADRM COCCn1cc(S(=O)(=O)N2CC3(CCOCC3)[C@H]2C(=O)[O-])cn1 ZINC000663288324 483957619 /nfs/dbraw/zinc/95/76/19/483957619.db2.gz NBQAPKNJUFBHGW-GFCCVEGCSA-N -1 0 359.404 -0.216 20 0 FBADRM COCCn1cc(S(=O)(=O)N2CC3(CCOCC3)[C@@H]2C(=O)[O-])cn1 ZINC000663288328 483957215 /nfs/dbraw/zinc/95/72/15/483957215.db2.gz NBQAPKNJUFBHGW-LBPRGKRZSA-N -1 0 359.404 -0.216 20 0 FBADRM O=C([O-])[C@H]1N(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC12CCC2 ZINC000663289087 483956807 /nfs/dbraw/zinc/95/68/07/483956807.db2.gz IMQBNBZRVLNTMA-LLVKDONJSA-N -1 0 365.367 -0.156 20 0 FBADRM O=C([O-])[C@@H]1N(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC12CCC2 ZINC000663289090 483957073 /nfs/dbraw/zinc/95/70/73/483957073.db2.gz IMQBNBZRVLNTMA-NSHDSACASA-N -1 0 365.367 -0.156 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CC2(CCOCC2)[C@H]1C(=O)[O-] ZINC000663289181 483957800 /nfs/dbraw/zinc/95/78/00/483957800.db2.gz RVELJYVUHJIQAB-GFCCVEGCSA-N -1 0 366.436 -0.608 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CC2(CCOCC2)[C@@H]1C(=O)[O-] ZINC000663289182 658834955 /nfs/dbraw/zinc/83/49/55/658834955.db2.gz RVELJYVUHJIQAB-LBPRGKRZSA-N -1 0 366.436 -0.608 20 0 FBADRM CCc1nc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cn1CC1CC1 ZINC000663289998 483957312 /nfs/dbraw/zinc/95/73/12/483957312.db2.gz JRDNWDIGCGKCQV-UHFFFAOYSA-N -1 0 358.420 -0.275 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N2CC3(CCC3)[C@H]2C(=O)[O-])c1 ZINC000663290012 483957174 /nfs/dbraw/zinc/95/71/74/483957174.db2.gz MOPQRNZXMXTVQC-LLVKDONJSA-N -1 0 360.413 -0.038 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N2CC3(CCC3)[C@@H]2C(=O)[O-])c1 ZINC000663290017 483956871 /nfs/dbraw/zinc/95/68/71/483956871.db2.gz MOPQRNZXMXTVQC-NSHDSACASA-N -1 0 360.413 -0.038 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N2CC3(CCC3)[C@H]2C(=O)[O-])cc1 ZINC000663290653 483957410 /nfs/dbraw/zinc/95/74/10/483957410.db2.gz PWOKMKWZNYTSGA-LLVKDONJSA-N -1 0 360.413 -0.038 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N2CC3(CCC3)[C@@H]2C(=O)[O-])cc1 ZINC000663290657 483957821 /nfs/dbraw/zinc/95/78/21/483957821.db2.gz PWOKMKWZNYTSGA-NSHDSACASA-N -1 0 360.413 -0.038 20 0 FBADRM COc1cc(F)ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000663291354 483956957 /nfs/dbraw/zinc/95/69/57/483956957.db2.gz NDHZRKVELLDDDJ-SECBINFHSA-N -1 0 367.376 -0.293 20 0 FBADRM COc1cc(F)ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000663291361 483957535 /nfs/dbraw/zinc/95/75/35/483957535.db2.gz NDHZRKVELLDDDJ-VIFPVBQESA-N -1 0 367.376 -0.293 20 0 FBADRM C[C@@H]1[C@H]2C[C@]1(C(=O)[O-])N(S(=O)(=O)c1cccc(S(N)(=O)=O)c1)C2 ZINC000663291561 483957506 /nfs/dbraw/zinc/95/75/06/483957506.db2.gz DMKWUACVFVCTHE-ZDMBXUJBSA-N -1 0 360.413 -0.182 20 0 FBADRM C[C@@H]1[C@H]2C[C@]1(C(=O)[O-])N(S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C2 ZINC000663292233 483957105 /nfs/dbraw/zinc/95/71/05/483957105.db2.gz RSAHBSSBKCPCDF-ZDMBXUJBSA-N -1 0 360.413 -0.031 20 0 FBADRM C[C@@H]1[C@H]2C[C@]1(C(=O)[O-])N(S(=O)(=O)c1ccc3[nH]c(=O)c(=O)[nH]c3c1)C2 ZINC000663292466 483957081 /nfs/dbraw/zinc/95/70/81/483957081.db2.gz ZZBPENSNDAICEK-KUTMEBCESA-N -1 0 365.367 -0.300 20 0 FBADRM C[C@@H]1[C@H]2C[C@]1(C(=O)[O-])N(S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)C2 ZINC000663292702 483957329 /nfs/dbraw/zinc/95/73/29/483957329.db2.gz FZXMKUVXNAEBAQ-BLFANLJRSA-N -1 0 351.446 -0.064 20 0 FBADRM C[C@@H]1[C@H]2C[C@]1(C(=O)[O-])N(S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)C2 ZINC000663292703 483957587 /nfs/dbraw/zinc/95/75/87/483957587.db2.gz FZXMKUVXNAEBAQ-DCQANWLSSA-N -1 0 351.446 -0.064 20 0 FBADRM CCc1nc(S(=O)(=O)[N-]c2ncn(CC(=O)NC)n2)cn1CC1CC1 ZINC000663299419 483957275 /nfs/dbraw/zinc/95/72/75/483957275.db2.gz JUHFGEQFAYPCHC-UHFFFAOYSA-N -1 0 367.435 -0.006 20 0 FBADRM CCOc1ccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)nc1C ZINC000663300190 483956779 /nfs/dbraw/zinc/95/67/79/483956779.db2.gz IMTFWMKOTSOOGG-UHFFFAOYSA-N -1 0 354.388 -0.013 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccnc(OCCO)c2)cn1C ZINC000663302010 483956823 /nfs/dbraw/zinc/95/68/23/483956823.db2.gz XGLMBHUMFVKUHQ-UHFFFAOYSA-N -1 0 354.388 -0.048 20 0 FBADRM O=C([O-])C1(CNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000663346337 483959472 /nfs/dbraw/zinc/95/94/72/483959472.db2.gz KKMJCJDPRUPFJC-UHFFFAOYSA-N -1 0 351.363 -0.272 20 0 FBADRM O=C([O-])C1(CNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000663347231 483959004 /nfs/dbraw/zinc/95/90/04/483959004.db2.gz HOKHMENKEWERSI-UHFFFAOYSA-N -1 0 351.363 -0.272 20 0 FBADRM CN(C)S(=O)(=O)C[C@@H](NC(=O)NCC1(C(=O)[O-])CC1)C(F)(F)F ZINC000663355004 483837989 /nfs/dbraw/zinc/83/79/89/483837989.db2.gz DDDWQFHYFSAULD-SSDOTTSWSA-N -1 0 361.342 -0.027 20 0 FBADRM CN(C)S(=O)(=O)C[C@H](NC(=O)NCC1(C(=O)[O-])CC1)C(F)(F)F ZINC000663355005 483838282 /nfs/dbraw/zinc/83/82/82/483838282.db2.gz DDDWQFHYFSAULD-ZETCQYMHSA-N -1 0 361.342 -0.027 20 0 FBADRM Cc1cc(S(=O)(=O)NCCCN(C)S(C)(=O)=O)oc1C(=O)[O-] ZINC000663419046 483958532 /nfs/dbraw/zinc/95/85/32/483958532.db2.gz NHFLDRDAFIZMIH-UHFFFAOYSA-N -1 0 354.406 -0.154 20 0 FBADRM Cc1cc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)oc1C(=O)[O-] ZINC000663419663 483959501 /nfs/dbraw/zinc/95/95/01/483959501.db2.gz ADJIGZYUEVFPNI-UHFFFAOYSA-N -1 0 366.417 -0.058 20 0 FBADRM Cc1cc(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)oc1C(=O)[O-] ZINC000663419723 483960794 /nfs/dbraw/zinc/96/07/94/483960794.db2.gz BRVWPOACXCIHMW-UHFFFAOYSA-N -1 0 366.417 -0.011 20 0 FBADRM Cc1cc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)oc1C(=O)[O-] ZINC000663421447 483961296 /nfs/dbraw/zinc/96/12/96/483961296.db2.gz POIBXOQNBTZRBM-UHFFFAOYSA-N -1 0 352.390 -0.448 20 0 FBADRM Cc1cc(S(=O)(=O)NCC(C)(C)NS(C)(=O)=O)oc1C(=O)[O-] ZINC000663422001 483859910 /nfs/dbraw/zinc/85/99/10/483859910.db2.gz FUOFHMWYUZSGFT-UHFFFAOYSA-N -1 0 354.406 -0.108 20 0 FBADRM Cc1cc(S(=O)(=O)N2CC[C@@H](NS(C)(=O)=O)C2)oc1C(=O)[O-] ZINC000663422445 483960329 /nfs/dbraw/zinc/96/03/29/483960329.db2.gz FDTQQUAFNVFMAL-MRVPVSSYSA-N -1 0 352.390 -0.402 20 0 FBADRM Cc1cc(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)oc1C(=O)[O-] ZINC000663422448 483960724 /nfs/dbraw/zinc/96/07/24/483960724.db2.gz FDTQQUAFNVFMAL-QMMMGPOBSA-N -1 0 352.390 -0.402 20 0 FBADRM Cc1cc(S(=O)(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)oc1C(=O)[O-] ZINC000663423141 483960232 /nfs/dbraw/zinc/96/02/32/483960232.db2.gz SWJJNHOPHPEQPK-SECBINFHSA-N -1 0 366.417 -0.011 20 0 FBADRM Cc1cc(S(=O)(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)oc1C(=O)[O-] ZINC000663423142 483960080 /nfs/dbraw/zinc/96/00/80/483960080.db2.gz SWJJNHOPHPEQPK-VIFPVBQESA-N -1 0 366.417 -0.011 20 0 FBADRM Cc1cc(S(=O)(=O)NCCN2CCCS2(=O)=O)oc1C(=O)[O-] ZINC000663423386 483960916 /nfs/dbraw/zinc/96/09/16/483960916.db2.gz VHHIQKCHGOZQAO-UHFFFAOYSA-N -1 0 352.390 -0.400 20 0 FBADRM CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000663424217 483960731 /nfs/dbraw/zinc/96/07/31/483960731.db2.gz KYOQDDDHXJZBDX-SECBINFHSA-N -1 0 366.417 -0.011 20 0 FBADRM CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000663424218 483960266 /nfs/dbraw/zinc/96/02/66/483960266.db2.gz KYOQDDDHXJZBDX-VIFPVBQESA-N -1 0 366.417 -0.011 20 0 FBADRM Cc1cc(S(=O)(=O)NC[C@H]2CCCN2S(C)(=O)=O)oc1C(=O)[O-] ZINC000663424252 483960743 /nfs/dbraw/zinc/96/07/43/483960743.db2.gz LOHNCJFNIOZZNE-SECBINFHSA-N -1 0 366.417 -0.011 20 0 FBADRM Cc1cc(S(=O)(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)oc1C(=O)[O-] ZINC000663424532 483960814 /nfs/dbraw/zinc/96/08/14/483960814.db2.gz MANYRSABSGIHIE-SECBINFHSA-N -1 0 366.417 -0.154 20 0 FBADRM Cc1cc(S(=O)(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)oc1C(=O)[O-] ZINC000663424536 483960351 /nfs/dbraw/zinc/96/03/51/483960351.db2.gz MANYRSABSGIHIE-VIFPVBQESA-N -1 0 366.417 -0.154 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NCc1ccc(C(=O)[O-])cc1F ZINC000663425159 483961332 /nfs/dbraw/zinc/96/13/32/483961332.db2.gz FNONKHLPCSGHEY-UHFFFAOYSA-N -1 0 368.408 -0.117 20 0 FBADRM Cc1cc(S(=O)(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)oc1C(=O)[O-] ZINC000663425409 483961084 /nfs/dbraw/zinc/96/10/84/483961084.db2.gz SSQXVCQFKURNHL-VIFPVBQESA-N -1 0 366.417 -0.059 20 0 FBADRM Cc1cc(S(=O)(=O)N(C)CCN2CCCS2(=O)=O)oc1C(=O)[O-] ZINC000663426369 483960834 /nfs/dbraw/zinc/96/08/34/483960834.db2.gz JZOCKVQRDDLCRR-UHFFFAOYSA-N -1 0 366.417 -0.058 20 0 FBADRM Cc1cc(S(=O)(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)oc1C(=O)[O-] ZINC000663427152 483960841 /nfs/dbraw/zinc/96/08/41/483960841.db2.gz HKIBSMKXKQUZJL-MRVPVSSYSA-N -1 0 352.390 -0.402 20 0 FBADRM Cc1cc(S(=O)(=O)N[C@H]2CCN(S(C)(=O)=O)C2)oc1C(=O)[O-] ZINC000663427153 483960531 /nfs/dbraw/zinc/96/05/31/483960531.db2.gz HKIBSMKXKQUZJL-QMMMGPOBSA-N -1 0 352.390 -0.402 20 0 FBADRM Cc1cc(S(=O)(=O)N2CCN(c3nncn3C)CC2)oc1C(=O)[O-] ZINC000663428221 483960822 /nfs/dbraw/zinc/96/08/22/483960822.db2.gz PEIGEKNKQQECHE-UHFFFAOYSA-N -1 0 355.376 -0.074 20 0 FBADRM Cc1cc(S(=O)(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)oc1C(=O)[O-] ZINC000663428477 483960476 /nfs/dbraw/zinc/96/04/76/483960476.db2.gz SSQXVCQFKURNHL-SECBINFHSA-N -1 0 366.417 -0.059 20 0 FBADRM Cn1cccc1C(=O)N1CCN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1 ZINC000663432268 483960250 /nfs/dbraw/zinc/96/02/50/483960250.db2.gz DSGOUNUBHHZCBY-CYBMUJFWSA-N -1 0 370.431 -0.423 20 0 FBADRM Cn1cccc1C(=O)N1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC000663432272 483960616 /nfs/dbraw/zinc/96/06/16/483960616.db2.gz DSGOUNUBHHZCBY-ZDUSSCGKSA-N -1 0 370.431 -0.423 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCN(C(=O)c2cccn2C)CC1 ZINC000663433555 483959958 /nfs/dbraw/zinc/95/99/58/483959958.db2.gz SESFCBMFKRTGGN-UHFFFAOYSA-N -1 0 358.420 -0.566 20 0 FBADRM Cn1cccc1C(=O)N1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1 ZINC000663433613 483960106 /nfs/dbraw/zinc/96/01/06/483960106.db2.gz UKLBZGUSRANLGJ-UHFFFAOYSA-N -1 0 367.387 -0.407 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-] ZINC000663434091 483960628 /nfs/dbraw/zinc/96/06/28/483960628.db2.gz DBBNNJHTNMWJBW-LOWDOPEQSA-N -1 0 350.437 -0.085 20 0 FBADRM O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000663435903 483960204 /nfs/dbraw/zinc/96/02/04/483960204.db2.gz WBKBUPDQTYGZRI-LLHIFLOGSA-N -1 0 351.446 -0.018 20 0 FBADRM CCS(=O)(=O)C1(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000663444898 483865867 /nfs/dbraw/zinc/86/58/67/483865867.db2.gz JDYLKQOXGFAHPQ-UHFFFAOYSA-N -1 0 354.450 -0.415 20 0 FBADRM CCS(=O)(=O)C1(CNS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000663444970 483960024 /nfs/dbraw/zinc/96/00/24/483960024.db2.gz KHNAVTAHQQWFOW-JTQLQIEISA-N -1 0 354.450 -0.415 20 0 FBADRM CCS(=O)(=O)C1(CNS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000663444973 483961389 /nfs/dbraw/zinc/96/13/89/483961389.db2.gz KHNAVTAHQQWFOW-SNVBAGLBSA-N -1 0 354.450 -0.415 20 0 FBADRM CCS(=O)(=O)C1(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000663448450 483961363 /nfs/dbraw/zinc/96/13/63/483961363.db2.gz SRFLKDVHWCLSFP-UHFFFAOYSA-N -1 0 351.406 -0.787 20 0 FBADRM COc1ncc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)cc1C(N)=O ZINC000663602195 483968266 /nfs/dbraw/zinc/96/82/66/483968266.db2.gz KSDYTZMKQPUWPF-LLVKDONJSA-N -1 0 364.358 -0.255 20 0 FBADRM COc1ncc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)cc1C(N)=O ZINC000663602196 483968285 /nfs/dbraw/zinc/96/82/85/483968285.db2.gz KSDYTZMKQPUWPF-NSHDSACASA-N -1 0 364.358 -0.255 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1 ZINC000663603435 483968618 /nfs/dbraw/zinc/96/86/18/483968618.db2.gz SMEDZFZGHBAPKN-GFCCVEGCSA-N -1 0 369.399 -0.110 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)c1 ZINC000663603436 483968884 /nfs/dbraw/zinc/96/88/84/483968884.db2.gz SMEDZFZGHBAPKN-LBPRGKRZSA-N -1 0 369.399 -0.110 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)cc1 ZINC000663604880 483968810 /nfs/dbraw/zinc/96/88/10/483968810.db2.gz GKAGHAWRBLIMES-GFCCVEGCSA-N -1 0 369.399 -0.110 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)cc1 ZINC000663604885 483968556 /nfs/dbraw/zinc/96/85/56/483968556.db2.gz GKAGHAWRBLIMES-LBPRGKRZSA-N -1 0 369.399 -0.110 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)NCCNC(=O)c1cccnc1)C1CCC1 ZINC000663618961 483969516 /nfs/dbraw/zinc/96/95/16/483969516.db2.gz WUVWWPXRMFDVKW-CYBMUJFWSA-N -1 0 362.386 -0.455 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)NCCNC(=O)c1cccnc1)C1CCC1 ZINC000663618962 483970185 /nfs/dbraw/zinc/97/01/85/483970185.db2.gz WUVWWPXRMFDVKW-ZDUSSCGKSA-N -1 0 362.386 -0.455 20 0 FBADRM CC(C)(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)N1CCOCC1 ZINC000663619609 483969788 /nfs/dbraw/zinc/96/97/88/483969788.db2.gz TXZWCCAJOPNZJC-CYBMUJFWSA-N -1 0 355.435 -0.170 20 0 FBADRM CC(C)(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)N1CCOCC1 ZINC000663619610 483969455 /nfs/dbraw/zinc/96/94/55/483969455.db2.gz TXZWCCAJOPNZJC-ZDUSSCGKSA-N -1 0 355.435 -0.170 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)NCCNC(=O)c1ccco1)C1CCC1 ZINC000663619947 483970738 /nfs/dbraw/zinc/97/07/38/483970738.db2.gz XKLQFYWPNRJZEN-LLVKDONJSA-N -1 0 351.359 -0.257 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)NCCNC(=O)c1ccco1)C1CCC1 ZINC000663620148 483970784 /nfs/dbraw/zinc/97/07/84/483970784.db2.gz XKLQFYWPNRJZEN-NSHDSACASA-N -1 0 351.359 -0.257 20 0 FBADRM CC(C)(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)NS(C)(=O)=O ZINC000663621011 483970616 /nfs/dbraw/zinc/97/06/16/483970616.db2.gz CBMGMERLWOJIDY-JTQLQIEISA-N -1 0 363.436 -0.953 20 0 FBADRM CC(C)(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)NS(C)(=O)=O ZINC000663621017 483969673 /nfs/dbraw/zinc/96/96/73/483969673.db2.gz CBMGMERLWOJIDY-SNVBAGLBSA-N -1 0 363.436 -0.953 20 0 FBADRM CN(CCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)S(C)(=O)=O ZINC000663621122 483969691 /nfs/dbraw/zinc/96/96/91/483969691.db2.gz PABKVEVIBDGNNU-LLVKDONJSA-N -1 0 363.436 -0.999 20 0 FBADRM CN(CCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)S(C)(=O)=O ZINC000663621123 483970142 /nfs/dbraw/zinc/97/01/42/483970142.db2.gz PABKVEVIBDGNNU-NSHDSACASA-N -1 0 363.436 -0.999 20 0 FBADRM CN(C)c1ncc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)n1C ZINC000663621614 483970207 /nfs/dbraw/zinc/97/02/07/483970207.db2.gz FAWQKWHLIIXEEH-GFCCVEGCSA-N -1 0 351.407 -0.281 20 0 FBADRM CN(C)c1ncc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)n1C ZINC000663621618 483969474 /nfs/dbraw/zinc/96/94/74/483969474.db2.gz FAWQKWHLIIXEEH-LBPRGKRZSA-N -1 0 351.407 -0.281 20 0 FBADRM COCCn1cc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)cn1 ZINC000663622229 483970372 /nfs/dbraw/zinc/97/03/72/483970372.db2.gz FHAJWVAPMOUWRD-CYBMUJFWSA-N -1 0 352.391 -0.237 20 0 FBADRM COCCn1cc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)cn1 ZINC000663622230 483969580 /nfs/dbraw/zinc/96/95/80/483969580.db2.gz FHAJWVAPMOUWRD-ZDUSSCGKSA-N -1 0 352.391 -0.237 20 0 FBADRM CCNC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000663623603 483969625 /nfs/dbraw/zinc/96/96/25/483969625.db2.gz KTXNWESXFJXJRF-NEPJUHHUSA-N -1 0 354.407 -0.477 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000663623605 483970355 /nfs/dbraw/zinc/97/03/55/483970355.db2.gz KTXNWESXFJXJRF-NWDGAFQWSA-N -1 0 354.407 -0.477 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000663623610 483970556 /nfs/dbraw/zinc/97/05/56/483970556.db2.gz KTXNWESXFJXJRF-RYUDHWBXSA-N -1 0 354.407 -0.477 20 0 FBADRM CCNC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000663623615 483970818 /nfs/dbraw/zinc/97/08/18/483970818.db2.gz KTXNWESXFJXJRF-VXGBXAGGSA-N -1 0 354.407 -0.477 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)NCCC1CCS(=O)(=O)CC1)C1CCC1 ZINC000663623871 483970296 /nfs/dbraw/zinc/97/02/96/483970296.db2.gz LISPZFAWYWQLBY-CYBMUJFWSA-N -1 0 374.459 -0.065 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)NCCC1CCS(=O)(=O)CC1)C1CCC1 ZINC000663623872 483970389 /nfs/dbraw/zinc/97/03/89/483970389.db2.gz LISPZFAWYWQLBY-ZDUSSCGKSA-N -1 0 374.459 -0.065 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1=O ZINC000663624330 483969810 /nfs/dbraw/zinc/96/98/10/483969810.db2.gz MSDMWVCKVWVZKG-IXOXFDKPSA-N -1 0 351.403 -0.271 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1=O ZINC000663624331 483972203 /nfs/dbraw/zinc/97/22/03/483972203.db2.gz MSDMWVCKVWVZKG-JHEVNIALSA-N -1 0 351.403 -0.271 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1=O ZINC000663624332 483971677 /nfs/dbraw/zinc/97/16/77/483971677.db2.gz MSDMWVCKVWVZKG-MGAJPHDKSA-N -1 0 351.403 -0.271 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1=O ZINC000663624333 483972266 /nfs/dbraw/zinc/97/22/66/483972266.db2.gz MSDMWVCKVWVZKG-XEZLXBQYSA-N -1 0 351.403 -0.271 20 0 FBADRM CS(=O)(=O)CC1(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000663624764 483972020 /nfs/dbraw/zinc/97/20/20/483972020.db2.gz PNLVORYJGYBRQD-LLVKDONJSA-N -1 0 360.432 -0.456 20 0 FBADRM CS(=O)(=O)CC1(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000663624765 483971577 /nfs/dbraw/zinc/97/15/77/483971577.db2.gz PNLVORYJGYBRQD-NSHDSACASA-N -1 0 360.432 -0.456 20 0 FBADRM CC(=O)N1CCC(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000663624859 483971921 /nfs/dbraw/zinc/97/19/21/483971921.db2.gz SHLZSCMNVAJYRA-AWEZNQCLSA-N -1 0 353.419 -0.022 20 0 FBADRM CC(=O)N1CCC(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000663624860 483971956 /nfs/dbraw/zinc/97/19/56/483971956.db2.gz SHLZSCMNVAJYRA-CQSZACIVSA-N -1 0 353.419 -0.022 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663625278 483971689 /nfs/dbraw/zinc/97/16/89/483971689.db2.gz UYKAMYJFJBMETJ-LLVKDONJSA-N -1 0 363.436 -0.953 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663625279 483972168 /nfs/dbraw/zinc/97/21/68/483972168.db2.gz UYKAMYJFJBMETJ-NSHDSACASA-N -1 0 363.436 -0.953 20 0 FBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663625935 483971521 /nfs/dbraw/zinc/97/15/21/483971521.db2.gz RVIRAJYKSXMPHZ-BFHYXJOUSA-N -1 0 372.418 -0.460 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663625936 483972036 /nfs/dbraw/zinc/97/20/36/483972036.db2.gz RVIRAJYKSXMPHZ-HZSPNIEDSA-N -1 0 372.418 -0.460 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663625937 483971858 /nfs/dbraw/zinc/97/18/58/483971858.db2.gz RVIRAJYKSXMPHZ-MELADBBJSA-N -1 0 372.418 -0.460 20 0 FBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663625938 483972277 /nfs/dbraw/zinc/97/22/77/483972277.db2.gz RVIRAJYKSXMPHZ-MGPQQGTHSA-N -1 0 372.418 -0.460 20 0 FBADRM CC(=O)N1CCC[C@@H](CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000663626411 483971471 /nfs/dbraw/zinc/97/14/71/483971471.db2.gz YZYFRAQNEYYBQN-GXTWGEPZSA-N -1 0 353.419 -0.022 20 0 FBADRM CC(=O)N1CCC[C@@H](CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000663626413 483971735 /nfs/dbraw/zinc/97/17/35/483971735.db2.gz YZYFRAQNEYYBQN-JSGCOSHPSA-N -1 0 353.419 -0.022 20 0 FBADRM CC(=O)N1CCC[C@H](CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000663626414 483971450 /nfs/dbraw/zinc/97/14/50/483971450.db2.gz YZYFRAQNEYYBQN-OCCSQVGLSA-N -1 0 353.419 -0.022 20 0 FBADRM CC(=O)N1CCC[C@H](CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000663626416 483971609 /nfs/dbraw/zinc/97/16/09/483971609.db2.gz YZYFRAQNEYYBQN-TZMCWYRMSA-N -1 0 353.419 -0.022 20 0 FBADRM CC[C@@H](NC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)C(=O)N1CCOCC1 ZINC000663626546 483971513 /nfs/dbraw/zinc/97/15/13/483971513.db2.gz WHCIETFWLLVUPR-CHWSQXEVSA-N -1 0 369.418 -0.643 20 0 FBADRM CC[C@H](NC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)C(=O)N1CCOCC1 ZINC000663626548 483971840 /nfs/dbraw/zinc/97/18/40/483971840.db2.gz WHCIETFWLLVUPR-OLZOCXBDSA-N -1 0 369.418 -0.643 20 0 FBADRM CC[C@@H](NC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)C(=O)N1CCOCC1 ZINC000663626550 483971884 /nfs/dbraw/zinc/97/18/84/483971884.db2.gz WHCIETFWLLVUPR-QWHCGFSZSA-N -1 0 369.418 -0.643 20 0 FBADRM CC[C@H](NC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)C(=O)N1CCOCC1 ZINC000663626551 483971364 /nfs/dbraw/zinc/97/13/64/483971364.db2.gz WHCIETFWLLVUPR-STQMWFEESA-N -1 0 369.418 -0.643 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)NCc1nnnn1CC1CC1)C1CCC1 ZINC000663626868 483971373 /nfs/dbraw/zinc/97/13/73/483971373.db2.gz AGICWQHVJVQOIF-LLVKDONJSA-N -1 0 350.379 -0.684 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)NCc1nnnn1CC1CC1)C1CCC1 ZINC000663626871 483972009 /nfs/dbraw/zinc/97/20/09/483972009.db2.gz AGICWQHVJVQOIF-NSHDSACASA-N -1 0 350.379 -0.684 20 0 FBADRM CC(C)(CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)S(C)(=O)=O ZINC000663626993 483971546 /nfs/dbraw/zinc/97/15/46/483971546.db2.gz DUAKXJWWNRSIRL-LLVKDONJSA-N -1 0 362.448 -0.067 20 0 FBADRM CC(C)(CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)S(C)(=O)=O ZINC000663627010 483971262 /nfs/dbraw/zinc/97/12/62/483971262.db2.gz DUAKXJWWNRSIRL-NSHDSACASA-N -1 0 362.448 -0.067 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)O1 ZINC000663627701 483971704 /nfs/dbraw/zinc/97/17/04/483971704.db2.gz IEAKWKRLWHKIID-AGIUHOORSA-N -1 0 369.418 -0.645 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)O1 ZINC000663627703 483971829 /nfs/dbraw/zinc/97/18/29/483971829.db2.gz IEAKWKRLWHKIID-AVGNSLFASA-N -1 0 369.418 -0.645 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)O1 ZINC000663627705 483971793 /nfs/dbraw/zinc/97/17/93/483971793.db2.gz IEAKWKRLWHKIID-UPJWGTAASA-N -1 0 369.418 -0.645 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)O1 ZINC000663627707 483972078 /nfs/dbraw/zinc/97/20/78/483972078.db2.gz IEAKWKRLWHKIID-XQQFMLRXSA-N -1 0 369.418 -0.645 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)NC[C@H]1CCCCS1(=O)=O)C1CCC1 ZINC000663627942 483971986 /nfs/dbraw/zinc/97/19/86/483971986.db2.gz JJHVJIPCBICQMF-NEPJUHHUSA-N -1 0 360.432 -0.313 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O)C1CCC1 ZINC000663627944 483971807 /nfs/dbraw/zinc/97/18/07/483971807.db2.gz JJHVJIPCBICQMF-NWDGAFQWSA-N -1 0 360.432 -0.313 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O)C1CCC1 ZINC000663627946 483972161 /nfs/dbraw/zinc/97/21/61/483972161.db2.gz JJHVJIPCBICQMF-RYUDHWBXSA-N -1 0 360.432 -0.313 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)NC[C@H]1CCCCS1(=O)=O)C1CCC1 ZINC000663627947 483971863 /nfs/dbraw/zinc/97/18/63/483971863.db2.gz JJHVJIPCBICQMF-VXGBXAGGSA-N -1 0 360.432 -0.313 20 0 FBADRM NC(=O)c1csc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)n1 ZINC000663628110 483971410 /nfs/dbraw/zinc/97/14/10/483971410.db2.gz CNRSUXUYMJPMSJ-MRVPVSSYSA-N -1 0 354.388 -0.525 20 0 FBADRM NC(=O)c1csc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)n1 ZINC000663628112 483971565 /nfs/dbraw/zinc/97/15/65/483971565.db2.gz CNRSUXUYMJPMSJ-QMMMGPOBSA-N -1 0 354.388 -0.525 20 0 FBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663628523 483972287 /nfs/dbraw/zinc/97/22/87/483972287.db2.gz CRTBKMCHIIERDA-CKYFFXLPSA-N -1 0 362.448 -0.117 20 0 FBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663628525 483971624 /nfs/dbraw/zinc/97/16/24/483971624.db2.gz CRTBKMCHIIERDA-FOGDFJRCSA-N -1 0 362.448 -0.117 20 0 FBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663628527 483972129 /nfs/dbraw/zinc/97/21/29/483972129.db2.gz CRTBKMCHIIERDA-JFGNBEQYSA-N -1 0 362.448 -0.117 20 0 FBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663628529 483972227 /nfs/dbraw/zinc/97/22/27/483972227.db2.gz CRTBKMCHIIERDA-SCVCMEIPSA-N -1 0 362.448 -0.117 20 0 FBADRM NC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000663628615 483971752 /nfs/dbraw/zinc/97/17/52/483971752.db2.gz DVXMZHZNMXFNHJ-CMPLNLGQSA-N -1 0 354.407 -0.490 20 0 FBADRM NC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000663628617 483972015 /nfs/dbraw/zinc/97/20/15/483972015.db2.gz DVXMZHZNMXFNHJ-JQWIXIFHSA-N -1 0 354.407 -0.490 20 0 FBADRM NC(=O)NC[C@H]1CCCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000663628619 483971783 /nfs/dbraw/zinc/97/17/83/483971783.db2.gz DVXMZHZNMXFNHJ-PWSUYJOCSA-N -1 0 354.407 -0.490 20 0 FBADRM NC(=O)NC[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000663628621 483971533 /nfs/dbraw/zinc/97/15/33/483971533.db2.gz DVXMZHZNMXFNHJ-ZYHUDNBSSA-N -1 0 354.407 -0.490 20 0 FBADRM CN(C)C(=O)C1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000663628675 483971439 /nfs/dbraw/zinc/97/14/39/483971439.db2.gz FEINOJZEECUYEL-CYBMUJFWSA-N -1 0 353.419 -0.070 20 0 FBADRM CN(C)C(=O)C1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000663628677 483971306 /nfs/dbraw/zinc/97/13/06/483971306.db2.gz FEINOJZEECUYEL-ZDUSSCGKSA-N -1 0 353.419 -0.070 20 0 FBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000663629198 483971493 /nfs/dbraw/zinc/97/14/93/483971493.db2.gz KEECYHPBQDNKHO-LLVKDONJSA-N -1 0 360.432 -0.313 20 0 FBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000663629201 483971383 /nfs/dbraw/zinc/97/13/83/483971383.db2.gz KEECYHPBQDNKHO-NSHDSACASA-N -1 0 360.432 -0.313 20 0 FBADRM C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CS1(=O)=O ZINC000663629498 483971933 /nfs/dbraw/zinc/97/19/33/483971933.db2.gz MIRRMHKBZLXVGG-ADEWGFFLSA-N -1 0 360.432 -0.315 20 0 FBADRM C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CS1(=O)=O ZINC000663629500 483972140 /nfs/dbraw/zinc/97/21/40/483972140.db2.gz MIRRMHKBZLXVGG-JLLWLGSASA-N -1 0 360.432 -0.315 20 0 FBADRM C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CS1(=O)=O ZINC000663629502 483971945 /nfs/dbraw/zinc/97/19/45/483971945.db2.gz MIRRMHKBZLXVGG-USWWRNFRSA-N -1 0 360.432 -0.315 20 0 FBADRM C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CS1(=O)=O ZINC000663629504 483972356 /nfs/dbraw/zinc/97/23/56/483972356.db2.gz MIRRMHKBZLXVGG-YUSALJHKSA-N -1 0 360.432 -0.315 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1)C1CCC1 ZINC000663629555 483972119 /nfs/dbraw/zinc/97/21/19/483972119.db2.gz MTJQDFUYZANDEN-CYBMUJFWSA-N -1 0 372.381 -0.072 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1)C1CCC1 ZINC000663629557 483972235 /nfs/dbraw/zinc/97/22/35/483972235.db2.gz MTJQDFUYZANDEN-ZDUSSCGKSA-N -1 0 372.381 -0.072 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)NCCOCCF)CC2)C1 ZINC000663629834 483972211 /nfs/dbraw/zinc/97/22/11/483972211.db2.gz KVKRNIVZCMRHIE-LLVKDONJSA-N -1 0 373.381 -0.987 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C(=O)NCCOCCF)CC2)C1 ZINC000663629835 483971502 /nfs/dbraw/zinc/97/15/02/483971502.db2.gz KVKRNIVZCMRHIE-NSHDSACASA-N -1 0 373.381 -0.987 20 0 FBADRM CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)[C@@H](C)CS(C)(=O)=O ZINC000663629854 483972191 /nfs/dbraw/zinc/97/21/91/483972191.db2.gz LKSUJWPVLMJMBB-CMPLNLGQSA-N -1 0 362.448 -0.115 20 0 FBADRM CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)[C@@H](C)CS(C)(=O)=O ZINC000663629855 483971727 /nfs/dbraw/zinc/97/17/27/483971727.db2.gz LKSUJWPVLMJMBB-JQWIXIFHSA-N -1 0 362.448 -0.115 20 0 FBADRM CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)[C@H](C)CS(C)(=O)=O ZINC000663629856 483971850 /nfs/dbraw/zinc/97/18/50/483971850.db2.gz LKSUJWPVLMJMBB-PWSUYJOCSA-N -1 0 362.448 -0.115 20 0 FBADRM CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)[C@H](C)CS(C)(=O)=O ZINC000663629858 483972072 /nfs/dbraw/zinc/97/20/72/483972072.db2.gz LKSUJWPVLMJMBB-ZYHUDNBSSA-N -1 0 362.448 -0.115 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)C1CCC1 ZINC000663629869 483972245 /nfs/dbraw/zinc/97/22/45/483972245.db2.gz LRJVGGVCROYYKG-CABCVRRESA-N -1 0 367.446 -0.073 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)C1CCC1 ZINC000663629871 483971870 /nfs/dbraw/zinc/97/18/70/483971870.db2.gz LRJVGGVCROYYKG-GJZGRUSLSA-N -1 0 367.446 -0.073 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)C1CCC1 ZINC000663629872 483971587 /nfs/dbraw/zinc/97/15/87/483971587.db2.gz LRJVGGVCROYYKG-HUUCEWRRSA-N -1 0 367.446 -0.073 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)C1CCC1 ZINC000663629873 483972307 /nfs/dbraw/zinc/97/23/07/483972307.db2.gz LRJVGGVCROYYKG-LSDHHAIUSA-N -1 0 367.446 -0.073 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N[C@H]1C[C@H]2CCCCN2C1=O)C1CCC1 ZINC000663630278 483971818 /nfs/dbraw/zinc/97/18/18/483971818.db2.gz VNFSQOQVQJPJMJ-AGIUHOORSA-N -1 0 351.403 -0.127 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O)C1CCC1 ZINC000663630280 483971337 /nfs/dbraw/zinc/97/13/37/483971337.db2.gz VNFSQOQVQJPJMJ-AVGNSLFASA-N -1 0 351.403 -0.127 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CCCCN2C1=O)C1CCC1 ZINC000663630281 483972261 /nfs/dbraw/zinc/97/22/61/483972261.db2.gz VNFSQOQVQJPJMJ-FRRDWIJNSA-N -1 0 351.403 -0.127 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O)C1CCC1 ZINC000663630282 483971478 /nfs/dbraw/zinc/97/14/78/483971478.db2.gz VNFSQOQVQJPJMJ-RWMBFGLXSA-N -1 0 351.403 -0.127 20 0 FBADRM CS(=O)(=O)C1(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CCC1 ZINC000663630952 483972150 /nfs/dbraw/zinc/97/21/50/483972150.db2.gz VSIRJGGLKXJJRB-LLVKDONJSA-N -1 0 360.432 -0.313 20 0 FBADRM CS(=O)(=O)C1(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CCC1 ZINC000663630956 483971892 /nfs/dbraw/zinc/97/18/92/483971892.db2.gz VSIRJGGLKXJJRB-NSHDSACASA-N -1 0 360.432 -0.313 20 0 FBADRM CS(=O)(=O)CC1(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CCC1 ZINC000663631045 483972218 /nfs/dbraw/zinc/97/22/18/483972218.db2.gz ZKRJPJGWPSEZMM-GFCCVEGCSA-N -1 0 374.459 -0.065 20 0 FBADRM CS(=O)(=O)CC1(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CCC1 ZINC000663631047 483971315 /nfs/dbraw/zinc/97/13/15/483971315.db2.gz ZKRJPJGWPSEZMM-LBPRGKRZSA-N -1 0 374.459 -0.065 20 0 FBADRM CC(C)(C)n1nnc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)n1 ZINC000663631431 483971761 /nfs/dbraw/zinc/97/17/61/483971761.db2.gz WFAAQMRBISQSLW-JTQLQIEISA-N -1 0 352.395 -0.339 20 0 FBADRM CC(C)(C)n1nnc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)n1 ZINC000663631433 483972392 /nfs/dbraw/zinc/97/23/92/483972392.db2.gz WFAAQMRBISQSLW-SNVBAGLBSA-N -1 0 352.395 -0.339 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663631470 483972052 /nfs/dbraw/zinc/97/20/52/483972052.db2.gz UCDWZUQKJXNMCY-CMPLNLGQSA-N -1 0 362.448 -0.115 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663631473 483971718 /nfs/dbraw/zinc/97/17/18/483971718.db2.gz UCDWZUQKJXNMCY-JQWIXIFHSA-N -1 0 362.448 -0.115 20 0 FBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663631476 483972045 /nfs/dbraw/zinc/97/20/45/483972045.db2.gz UCDWZUQKJXNMCY-PWSUYJOCSA-N -1 0 362.448 -0.115 20 0 FBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663631480 483971464 /nfs/dbraw/zinc/97/14/64/483971464.db2.gz UCDWZUQKJXNMCY-ZYHUDNBSSA-N -1 0 362.448 -0.115 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCC(N2CCNC2=O)CC1)C1CCC1 ZINC000663631485 483971325 /nfs/dbraw/zinc/97/13/25/483971325.db2.gz UCKHISVQCHAUQI-CYBMUJFWSA-N -1 0 366.418 -0.380 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCC(N2CCNC2=O)CC1)C1CCC1 ZINC000663631487 483971397 /nfs/dbraw/zinc/97/13/97/483971397.db2.gz UCKHISVQCHAUQI-ZDUSSCGKSA-N -1 0 366.418 -0.380 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)NCCCN1C(=O)CCC1=O)C1CCC1 ZINC000663631765 483972322 /nfs/dbraw/zinc/97/23/22/483972322.db2.gz AEPYAXXJFYDYNC-LLVKDONJSA-N -1 0 353.375 -0.741 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)NCCCN1C(=O)CCC1=O)C1CCC1 ZINC000663631766 483971422 /nfs/dbraw/zinc/97/14/22/483971422.db2.gz AEPYAXXJFYDYNC-NSHDSACASA-N -1 0 353.375 -0.741 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCN(c2cccnn2)CC1)C1CCC1 ZINC000663631775 483971904 /nfs/dbraw/zinc/97/19/04/483971904.db2.gz AJNUHAOGUMPUBH-CYBMUJFWSA-N -1 0 361.402 -0.258 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCN(c2cccnn2)CC1)C1CCC1 ZINC000663631776 483971557 /nfs/dbraw/zinc/97/15/57/483971557.db2.gz AJNUHAOGUMPUBH-ZDUSSCGKSA-N -1 0 361.402 -0.258 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1)C1CCC1 ZINC000663631980 483973803 /nfs/dbraw/zinc/97/38/03/483973803.db2.gz CZLGIZIJIAKQGN-CABCVRRESA-N -1 0 367.446 -0.073 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1)C1CCC1 ZINC000663631981 483972951 /nfs/dbraw/zinc/97/29/51/483972951.db2.gz CZLGIZIJIAKQGN-GJZGRUSLSA-N -1 0 367.446 -0.073 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1)C1CCC1 ZINC000663631982 483973380 /nfs/dbraw/zinc/97/33/80/483973380.db2.gz CZLGIZIJIAKQGN-HUUCEWRRSA-N -1 0 367.446 -0.073 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1)C1CCC1 ZINC000663631983 483973479 /nfs/dbraw/zinc/97/34/79/483973479.db2.gz CZLGIZIJIAKQGN-LSDHHAIUSA-N -1 0 367.446 -0.073 20 0 FBADRM Cn1nc2c(cc1=O)CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)CC2 ZINC000663632258 483973587 /nfs/dbraw/zinc/97/35/87/483973587.db2.gz FYXWMSXNPBVFNG-GFCCVEGCSA-N -1 0 362.386 -0.718 20 0 FBADRM Cn1nc2c(cc1=O)CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)CC2 ZINC000663632259 483973571 /nfs/dbraw/zinc/97/35/71/483973571.db2.gz FYXWMSXNPBVFNG-LBPRGKRZSA-N -1 0 362.386 -0.718 20 0 FBADRM CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000663632303 483973818 /nfs/dbraw/zinc/97/38/18/483973818.db2.gz HBHRHZVNAJEEOJ-NEPJUHHUSA-N -1 0 360.432 -0.361 20 0 FBADRM CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000663632304 483973629 /nfs/dbraw/zinc/97/36/29/483973629.db2.gz HBHRHZVNAJEEOJ-NWDGAFQWSA-N -1 0 360.432 -0.361 20 0 FBADRM CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000663632305 483973089 /nfs/dbraw/zinc/97/30/89/483973089.db2.gz HBHRHZVNAJEEOJ-RYUDHWBXSA-N -1 0 360.432 -0.361 20 0 FBADRM CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000663632306 483973856 /nfs/dbraw/zinc/97/38/56/483973856.db2.gz HBHRHZVNAJEEOJ-VXGBXAGGSA-N -1 0 360.432 -0.361 20 0 FBADRM COCC(=O)NC1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000663632468 483973128 /nfs/dbraw/zinc/97/31/28/483973128.db2.gz INMFZVGYHQSXEE-CYBMUJFWSA-N -1 0 369.418 -0.643 20 0 FBADRM COCC(=O)NC1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000663632469 483973484 /nfs/dbraw/zinc/97/34/84/483973484.db2.gz INMFZVGYHQSXEE-ZDUSSCGKSA-N -1 0 369.418 -0.643 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C(=O)NC1CC1)C1CCC1 ZINC000663632660 483972856 /nfs/dbraw/zinc/97/28/56/483972856.db2.gz AYRNOAHVRUUWIU-CHWSQXEVSA-N -1 0 351.403 -0.127 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCC[C@H]1C(=O)NC1CC1)C1CCC1 ZINC000663632661 483973623 /nfs/dbraw/zinc/97/36/23/483973623.db2.gz AYRNOAHVRUUWIU-OLZOCXBDSA-N -1 0 351.403 -0.127 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C(=O)NC1CC1)C1CCC1 ZINC000663632662 483973870 /nfs/dbraw/zinc/97/38/70/483973870.db2.gz AYRNOAHVRUUWIU-QWHCGFSZSA-N -1 0 351.403 -0.127 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCC[C@H]1C(=O)NC1CC1)C1CCC1 ZINC000663632663 483972816 /nfs/dbraw/zinc/97/28/16/483972816.db2.gz AYRNOAHVRUUWIU-STQMWFEESA-N -1 0 351.403 -0.127 20 0 FBADRM CN(C)C(=O)N1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000663632748 483973234 /nfs/dbraw/zinc/97/32/34/483973234.db2.gz LSTQGQSQRNLWPU-GFCCVEGCSA-N -1 0 354.407 -0.571 20 0 FBADRM CN(C)C(=O)N1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000663632749 483973638 /nfs/dbraw/zinc/97/36/38/483973638.db2.gz LSTQGQSQRNLWPU-LBPRGKRZSA-N -1 0 354.407 -0.571 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCN(c2cnccn2)CC1)C1CCC1 ZINC000663632786 483973734 /nfs/dbraw/zinc/97/37/34/483973734.db2.gz MFRPDMXQEJPZEC-CYBMUJFWSA-N -1 0 361.402 -0.258 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCN(c2cnccn2)CC1)C1CCC1 ZINC000663632787 483973205 /nfs/dbraw/zinc/97/32/05/483973205.db2.gz MFRPDMXQEJPZEC-ZDUSSCGKSA-N -1 0 361.402 -0.258 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCC(OCCCO)CC1)C1CCC1 ZINC000663632826 483972887 /nfs/dbraw/zinc/97/28/87/483972887.db2.gz NAMPKOWFOHIYDK-AWEZNQCLSA-N -1 0 356.419 -0.007 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCC(OCCCO)CC1)C1CCC1 ZINC000663632827 483973078 /nfs/dbraw/zinc/97/30/78/483973078.db2.gz NAMPKOWFOHIYDK-CQSZACIVSA-N -1 0 356.419 -0.007 20 0 FBADRM CC1(C)COCCN1CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663632850 483973608 /nfs/dbraw/zinc/97/36/08/483973608.db2.gz CILQTTUJJMJOCQ-CYBMUJFWSA-N -1 0 355.435 -0.170 20 0 FBADRM CC1(C)COCCN1CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663632851 483973667 /nfs/dbraw/zinc/97/36/67/483973667.db2.gz CILQTTUJJMJOCQ-ZDUSSCGKSA-N -1 0 355.435 -0.170 20 0 FBADRM CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000663633335 483973593 /nfs/dbraw/zinc/97/35/93/483973593.db2.gz OVPHVQSWGNPUIY-GXTWGEPZSA-N -1 0 353.419 -0.022 20 0 FBADRM CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000663633336 483973792 /nfs/dbraw/zinc/97/37/92/483973792.db2.gz OVPHVQSWGNPUIY-JSGCOSHPSA-N -1 0 353.419 -0.022 20 0 FBADRM CC(=O)NC[C@H]1CCCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000663633337 483973372 /nfs/dbraw/zinc/97/33/72/483973372.db2.gz OVPHVQSWGNPUIY-OCCSQVGLSA-N -1 0 353.419 -0.022 20 0 FBADRM CC(=O)NC[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000663633338 483973825 /nfs/dbraw/zinc/97/38/25/483973825.db2.gz OVPHVQSWGNPUIY-TZMCWYRMSA-N -1 0 353.419 -0.022 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1)C1CCC1 ZINC000663633339 483973289 /nfs/dbraw/zinc/97/32/89/483973289.db2.gz PBIHXXJVLVNIGQ-SECBINFHSA-N -1 0 365.308 -0.206 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1)C1CCC1 ZINC000663633340 483973620 /nfs/dbraw/zinc/97/36/20/483973620.db2.gz PBIHXXJVLVNIGQ-VIFPVBQESA-N -1 0 365.308 -0.206 20 0 FBADRM C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663633469 483973437 /nfs/dbraw/zinc/97/34/37/483973437.db2.gz INYQYBPMPKHCGJ-GXTWGEPZSA-N -1 0 369.462 -0.093 20 0 FBADRM C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663633470 483973396 /nfs/dbraw/zinc/97/33/96/483973396.db2.gz INYQYBPMPKHCGJ-JSGCOSHPSA-N -1 0 369.462 -0.093 20 0 FBADRM C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663633471 483973837 /nfs/dbraw/zinc/97/38/37/483973837.db2.gz INYQYBPMPKHCGJ-OCCSQVGLSA-N -1 0 369.462 -0.093 20 0 FBADRM C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663633472 483973511 /nfs/dbraw/zinc/97/35/11/483973511.db2.gz INYQYBPMPKHCGJ-TZMCWYRMSA-N -1 0 369.462 -0.093 20 0 FBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000663633498 483973547 /nfs/dbraw/zinc/97/35/47/483973547.db2.gz JECNUUWCYOCKLR-NEPJUHHUSA-N -1 0 360.432 -0.361 20 0 FBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000663633499 483972864 /nfs/dbraw/zinc/97/28/64/483972864.db2.gz JECNUUWCYOCKLR-NWDGAFQWSA-N -1 0 360.432 -0.361 20 0 FBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000663633500 483973720 /nfs/dbraw/zinc/97/37/20/483973720.db2.gz JECNUUWCYOCKLR-RYUDHWBXSA-N -1 0 360.432 -0.361 20 0 FBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000663633501 483973660 /nfs/dbraw/zinc/97/36/60/483973660.db2.gz JECNUUWCYOCKLR-VXGBXAGGSA-N -1 0 360.432 -0.361 20 0 FBADRM CC(C)C(=O)N1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000663633527 483973643 /nfs/dbraw/zinc/97/36/43/483973643.db2.gz FSJVOXSLKIHQCB-CYBMUJFWSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(C)C(=O)N1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000663633528 483973460 /nfs/dbraw/zinc/97/34/60/483973460.db2.gz FSJVOXSLKIHQCB-ZDUSSCGKSA-N -1 0 353.419 -0.070 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCC2=O)C1)C1CCC1 ZINC000663634136 483973451 /nfs/dbraw/zinc/97/34/51/483973451.db2.gz CLCPOXASZMSXIG-CHWSQXEVSA-N -1 0 351.403 -0.173 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCC2=O)C1)C1CCC1 ZINC000663634137 483973034 /nfs/dbraw/zinc/97/30/34/483973034.db2.gz CLCPOXASZMSXIG-OLZOCXBDSA-N -1 0 351.403 -0.173 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CC[C@H](N2CCCC2=O)C1)C1CCC1 ZINC000663634138 483973489 /nfs/dbraw/zinc/97/34/89/483973489.db2.gz CLCPOXASZMSXIG-QWHCGFSZSA-N -1 0 351.403 -0.173 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CC[C@H](N2CCCC2=O)C1)C1CCC1 ZINC000663634139 483973764 /nfs/dbraw/zinc/97/37/64/483973764.db2.gz CLCPOXASZMSXIG-STQMWFEESA-N -1 0 351.403 -0.173 20 0 FBADRM CNC(=O)CC1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000663634855 483972909 /nfs/dbraw/zinc/97/29/09/483972909.db2.gz XVMWFFYFACDTIP-CYBMUJFWSA-N -1 0 353.419 -0.022 20 0 FBADRM CNC(=O)CC1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000663634856 483973567 /nfs/dbraw/zinc/97/35/67/483973567.db2.gz XVMWFFYFACDTIP-ZDUSSCGKSA-N -1 0 353.419 -0.022 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1=O ZINC000663635022 483973164 /nfs/dbraw/zinc/97/31/64/483973164.db2.gz JIMKGFWGRCMMIX-CYBMUJFWSA-N -1 0 369.418 -0.689 20 0 FBADRM COCCN1CCCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1=O ZINC000663635023 483973688 /nfs/dbraw/zinc/97/36/88/483973688.db2.gz JIMKGFWGRCMMIX-ZDUSSCGKSA-N -1 0 369.418 -0.689 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21)C1CCC1 ZINC000663635057 483973414 /nfs/dbraw/zinc/97/34/14/483973414.db2.gz ZLDLPCMEZNCSAC-AVGNSLFASA-N -1 0 351.403 -0.127 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21)C1CCC1 ZINC000663635061 483973778 /nfs/dbraw/zinc/97/37/78/483973778.db2.gz ZLDLPCMEZNCSAC-RWMBFGLXSA-N -1 0 351.403 -0.127 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21)C1CCC1 ZINC000663635064 483973784 /nfs/dbraw/zinc/97/37/84/483973784.db2.gz ZLDLPCMEZNCSAC-XQQFMLRXSA-N -1 0 351.403 -0.127 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)C1CCC1 ZINC000663635068 483973321 /nfs/dbraw/zinc/97/33/21/483973321.db2.gz ZLDLPCMEZNCSAC-YNEHKIRRSA-N -1 0 351.403 -0.127 20 0 FBADRM CCOCCN1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000663635156 483973423 /nfs/dbraw/zinc/97/34/23/483973423.db2.gz NVBPITQIZWBWOP-AWEZNQCLSA-N -1 0 355.435 -0.216 20 0 FBADRM CCOCCN1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000663635158 483973455 /nfs/dbraw/zinc/97/34/55/483973455.db2.gz NVBPITQIZWBWOP-CQSZACIVSA-N -1 0 355.435 -0.216 20 0 FBADRM CC(C)(O)CN1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000663635320 483973470 /nfs/dbraw/zinc/97/34/70/483973470.db2.gz KGHNENSUQOFCQQ-CYBMUJFWSA-N -1 0 355.435 -0.481 20 0 FBADRM CC(C)(O)CN1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000663635321 483973534 /nfs/dbraw/zinc/97/35/34/483973534.db2.gz KGHNENSUQOFCQQ-ZDUSSCGKSA-N -1 0 355.435 -0.481 20 0 FBADRM Cn1cc(N2CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C3CCC3)CC2)cn1 ZINC000663635486 483973280 /nfs/dbraw/zinc/97/32/80/483973280.db2.gz PUEJDAFFDIITND-AWEZNQCLSA-N -1 0 363.418 -0.314 20 0 FBADRM Cn1cc(N2CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C3CCC3)CC2)cn1 ZINC000663635490 483972844 /nfs/dbraw/zinc/97/28/44/483972844.db2.gz PUEJDAFFDIITND-CQSZACIVSA-N -1 0 363.418 -0.314 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)C1CCC1 ZINC000663635950 483973185 /nfs/dbraw/zinc/97/31/85/483973185.db2.gz ONKHEPILSQFQPE-CHWSQXEVSA-N -1 0 366.418 -0.334 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)C1CCC1 ZINC000663635951 483974771 /nfs/dbraw/zinc/97/47/71/483974771.db2.gz ONKHEPILSQFQPE-OLZOCXBDSA-N -1 0 366.418 -0.334 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)C1CCC1 ZINC000663635952 483974441 /nfs/dbraw/zinc/97/44/41/483974441.db2.gz ONKHEPILSQFQPE-QWHCGFSZSA-N -1 0 366.418 -0.334 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)C1CCC1 ZINC000663635953 483974595 /nfs/dbraw/zinc/97/45/95/483974595.db2.gz ONKHEPILSQFQPE-STQMWFEESA-N -1 0 366.418 -0.334 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CCN1CC(C)(C)O ZINC000663636439 483974388 /nfs/dbraw/zinc/97/43/88/483974388.db2.gz ZYHRZMMWWNNSSO-GXTWGEPZSA-N -1 0 369.462 -0.093 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CCN1CC(C)(C)O ZINC000663636440 483974504 /nfs/dbraw/zinc/97/45/04/483974504.db2.gz ZYHRZMMWWNNSSO-JSGCOSHPSA-N -1 0 369.462 -0.093 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CCN1CC(C)(C)O ZINC000663636441 483974647 /nfs/dbraw/zinc/97/46/47/483974647.db2.gz ZYHRZMMWWNNSSO-OCCSQVGLSA-N -1 0 369.462 -0.093 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CCN1CC(C)(C)O ZINC000663636442 483974332 /nfs/dbraw/zinc/97/43/32/483974332.db2.gz ZYHRZMMWWNNSSO-TZMCWYRMSA-N -1 0 369.462 -0.093 20 0 FBADRM CC(C)CN1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1=O ZINC000663637159 483974284 /nfs/dbraw/zinc/97/42/84/483974284.db2.gz WVUZCGDOQMCGOP-CYBMUJFWSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(C)CN1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1=O ZINC000663637160 483974540 /nfs/dbraw/zinc/97/45/40/483974540.db2.gz WVUZCGDOQMCGOP-ZDUSSCGKSA-N -1 0 353.419 -0.070 20 0 FBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000663637418 483974636 /nfs/dbraw/zinc/97/46/36/483974636.db2.gz GEVHNXRPAJOKQC-CHWSQXEVSA-N -1 0 368.434 -0.182 20 0 FBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000663637420 483974605 /nfs/dbraw/zinc/97/46/05/483974605.db2.gz GEVHNXRPAJOKQC-OLZOCXBDSA-N -1 0 368.434 -0.182 20 0 FBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000663637422 483974304 /nfs/dbraw/zinc/97/43/04/483974304.db2.gz GEVHNXRPAJOKQC-QWHCGFSZSA-N -1 0 368.434 -0.182 20 0 FBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000663637424 483974815 /nfs/dbraw/zinc/97/48/15/483974815.db2.gz GEVHNXRPAJOKQC-STQMWFEESA-N -1 0 368.434 -0.182 20 0 FBADRM CS(=O)(=O)CC1(CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000663637457 483974727 /nfs/dbraw/zinc/97/47/27/483974727.db2.gz GNLHXNLVRQBRAO-GFCCVEGCSA-N -1 0 374.459 -0.065 20 0 FBADRM CS(=O)(=O)CC1(CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000663637459 483974224 /nfs/dbraw/zinc/97/42/24/483974224.db2.gz GNLHXNLVRQBRAO-LBPRGKRZSA-N -1 0 374.459 -0.065 20 0 FBADRM Cn1cnnc1N1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000663637932 483974787 /nfs/dbraw/zinc/97/47/87/483974787.db2.gz KLCJOBKFOOKMJI-GFCCVEGCSA-N -1 0 364.406 -0.919 20 0 FBADRM Cn1cnnc1N1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000663637934 483974582 /nfs/dbraw/zinc/97/45/82/483974582.db2.gz KLCJOBKFOOKMJI-LBPRGKRZSA-N -1 0 364.406 -0.919 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)NCc1nnnn1-c1ccccc1)C1CCC1 ZINC000663637978 483974450 /nfs/dbraw/zinc/97/44/50/483974450.db2.gz KRHSKAKYADRTCF-CYBMUJFWSA-N -1 0 372.385 -0.104 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)NCc1nnnn1-c1ccccc1)C1CCC1 ZINC000663637983 483974779 /nfs/dbraw/zinc/97/47/79/483974779.db2.gz KRHSKAKYADRTCF-ZDUSSCGKSA-N -1 0 372.385 -0.104 20 0 FBADRM Cn1nccc1[C@H]1COCCN1C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663638204 483974431 /nfs/dbraw/zinc/97/44/31/483974431.db2.gz MCBBDNKITRBPGR-GXTWGEPZSA-N -1 0 364.402 -0.063 20 0 FBADRM Cn1nccc1[C@@H]1COCCN1C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663638205 483974422 /nfs/dbraw/zinc/97/44/22/483974422.db2.gz MCBBDNKITRBPGR-JSGCOSHPSA-N -1 0 364.402 -0.063 20 0 FBADRM Cn1nccc1[C@@H]1COCCN1C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663638207 483974209 /nfs/dbraw/zinc/97/42/09/483974209.db2.gz MCBBDNKITRBPGR-OCCSQVGLSA-N -1 0 364.402 -0.063 20 0 FBADRM Cn1nccc1[C@H]1COCCN1C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663638209 483974824 /nfs/dbraw/zinc/97/48/24/483974824.db2.gz MCBBDNKITRBPGR-TZMCWYRMSA-N -1 0 364.402 -0.063 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCN(c2ncccn2)CC1)C1CCC1 ZINC000663638933 483974701 /nfs/dbraw/zinc/97/47/01/483974701.db2.gz SJMZEECBYGRSCV-CYBMUJFWSA-N -1 0 361.402 -0.258 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCN(c2ncccn2)CC1)C1CCC1 ZINC000663638934 483974691 /nfs/dbraw/zinc/97/46/91/483974691.db2.gz SJMZEECBYGRSCV-ZDUSSCGKSA-N -1 0 361.402 -0.258 20 0 FBADRM CNC(=O)NC1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000663638956 483974682 /nfs/dbraw/zinc/97/46/82/483974682.db2.gz SVDITWUDOWKPDB-GFCCVEGCSA-N -1 0 354.407 -0.477 20 0 FBADRM CNC(=O)NC1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000663638957 483974411 /nfs/dbraw/zinc/97/44/11/483974411.db2.gz SVDITWUDOWKPDB-LBPRGKRZSA-N -1 0 354.407 -0.477 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1)C1CCC1 ZINC000663638989 483974376 /nfs/dbraw/zinc/97/43/76/483974376.db2.gz UCYVSOICXIDWAS-AGIUHOORSA-N -1 0 351.403 -0.269 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1)C1CCC1 ZINC000663638990 483974552 /nfs/dbraw/zinc/97/45/52/483974552.db2.gz UCYVSOICXIDWAS-FRRDWIJNSA-N -1 0 351.403 -0.269 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1)C1CCC1 ZINC000663638991 483974672 /nfs/dbraw/zinc/97/46/72/483974672.db2.gz UCYVSOICXIDWAS-JHJVBQTASA-N -1 0 351.403 -0.269 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1)C1CCC1 ZINC000663638992 483974571 /nfs/dbraw/zinc/97/45/71/483974571.db2.gz UCYVSOICXIDWAS-UPJWGTAASA-N -1 0 351.403 -0.269 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NC[C@H]1CCCNC1=O ZINC000665258303 484118090 /nfs/dbraw/zinc/11/80/90/484118090.db2.gz RISGEJAGWGRCEN-SECBINFHSA-N -1 0 361.370 -0.115 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NC[C@@H]1CCCNC1=O ZINC000665258304 484117941 /nfs/dbraw/zinc/11/79/41/484117941.db2.gz RISGEJAGWGRCEN-VIFPVBQESA-N -1 0 361.370 -0.115 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H]2CCCNC2=O)c1 ZINC000665262612 484119853 /nfs/dbraw/zinc/11/98/53/484119853.db2.gz MZQAXFRJESRXLO-JTQLQIEISA-N -1 0 355.416 -0.102 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H]2CCCNC2=O)c1 ZINC000665262613 484119373 /nfs/dbraw/zinc/11/93/73/484119373.db2.gz MZQAXFRJESRXLO-SNVBAGLBSA-N -1 0 355.416 -0.102 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000665306425 484136817 /nfs/dbraw/zinc/13/68/17/484136817.db2.gz PBWCDNULOKGHRD-AWEZNQCLSA-N -1 0 368.434 -0.133 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000665306426 484136675 /nfs/dbraw/zinc/13/66/75/484136675.db2.gz PBWCDNULOKGHRD-CQSZACIVSA-N -1 0 368.434 -0.133 20 0 FBADRM O=C([O-])[C@H](CNC(=O)NCCNS(=O)(=O)Cc1ccon1)C1CCC1 ZINC000665307712 484138608 /nfs/dbraw/zinc/13/86/08/484138608.db2.gz MHIHUMSYLLICNJ-GFCCVEGCSA-N -1 0 374.419 -0.106 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)NCCNS(=O)(=O)Cc1ccon1)C1CCC1 ZINC000665307713 484138760 /nfs/dbraw/zinc/13/87/60/484138760.db2.gz MHIHUMSYLLICNJ-LBPRGKRZSA-N -1 0 374.419 -0.106 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665310333 484137977 /nfs/dbraw/zinc/13/79/77/484137977.db2.gz NLTBMODVCRAEBM-LLVKDONJSA-N -1 0 350.441 -0.381 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665310334 484138495 /nfs/dbraw/zinc/13/84/95/484138495.db2.gz NLTBMODVCRAEBM-NSHDSACASA-N -1 0 350.441 -0.381 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CCNC2=O)C1=O ZINC000665313948 484140367 /nfs/dbraw/zinc/14/03/67/484140367.db2.gz YRJWPGWSQZCBBR-AVGNSLFASA-N -1 0 360.370 -0.399 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CCNC2=O)C1=O ZINC000665313949 484140120 /nfs/dbraw/zinc/14/01/20/484140120.db2.gz YRJWPGWSQZCBBR-RWMBFGLXSA-N -1 0 360.370 -0.399 20 0 FBADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@H]2CCNC2=O)C1=O ZINC000665313950 484140892 /nfs/dbraw/zinc/14/08/92/484140892.db2.gz YRJWPGWSQZCBBR-XQQFMLRXSA-N -1 0 360.370 -0.399 20 0 FBADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@H]2CCNC2=O)C1=O ZINC000665313951 484140388 /nfs/dbraw/zinc/14/03/88/484140388.db2.gz YRJWPGWSQZCBBR-YNEHKIRRSA-N -1 0 360.370 -0.399 20 0 FBADRM NS(=O)(=O)c1cc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1F ZINC000665316108 484141527 /nfs/dbraw/zinc/14/15/27/484141527.db2.gz VIDHPCUAYMZAAS-JTQLQIEISA-N -1 0 361.351 -0.532 20 0 FBADRM NS(=O)(=O)c1cc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1F ZINC000665316109 484143223 /nfs/dbraw/zinc/14/32/23/484143223.db2.gz VIDHPCUAYMZAAS-SNVBAGLBSA-N -1 0 361.351 -0.532 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000665316825 484142451 /nfs/dbraw/zinc/14/24/51/484142451.db2.gz OBPYHUWRNNFMTA-GFCCVEGCSA-N -1 0 362.452 -0.379 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000665316826 484142101 /nfs/dbraw/zinc/14/21/01/484142101.db2.gz OBPYHUWRNNFMTA-LBPRGKRZSA-N -1 0 362.452 -0.379 20 0 FBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NC[C@H](C(=O)[O-])C3CCC3)C[C@H]21 ZINC000665317056 484142381 /nfs/dbraw/zinc/14/23/81/484142381.db2.gz UFSOEDPXXZSCRV-RVMXOQNASA-N -1 0 360.432 -0.059 20 0 FBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NC[C@@H](C(=O)[O-])C3CCC3)C[C@H]21 ZINC000665317057 484142879 /nfs/dbraw/zinc/14/28/79/484142879.db2.gz UFSOEDPXXZSCRV-XQHKEYJVSA-N -1 0 360.432 -0.059 20 0 FBADRM CNS(=O)(=O)NC1CCN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000665318843 484145131 /nfs/dbraw/zinc/14/51/31/484145131.db2.gz FCFUHDKZGRNKNY-GFCCVEGCSA-N -1 0 362.452 -0.285 20 0 FBADRM CNS(=O)(=O)NC1CCN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000665318844 484144059 /nfs/dbraw/zinc/14/40/59/484144059.db2.gz FCFUHDKZGRNKNY-LBPRGKRZSA-N -1 0 362.452 -0.285 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000665328309 484151440 /nfs/dbraw/zinc/15/14/40/484151440.db2.gz IDSCRMBEQJMVMX-CYBMUJFWSA-N -1 0 368.434 -0.134 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000665328310 484151826 /nfs/dbraw/zinc/15/18/26/484151826.db2.gz IDSCRMBEQJMVMX-ZDUSSCGKSA-N -1 0 368.434 -0.134 20 0 FBADRM O=C([O-])[C@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C1CCC1 ZINC000665328683 484152122 /nfs/dbraw/zinc/15/21/22/484152122.db2.gz QBTXLEUOCQEBBA-CYBMUJFWSA-N -1 0 366.418 -0.380 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C1CCC1 ZINC000665328684 484151512 /nfs/dbraw/zinc/15/15/12/484151512.db2.gz QBTXLEUOCQEBBA-ZDUSSCGKSA-N -1 0 366.418 -0.380 20 0 FBADRM O=C([O-])[C@H](CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C1CCC1 ZINC000665328953 484151864 /nfs/dbraw/zinc/15/18/64/484151864.db2.gz WUOODAUXCYURQM-GFCCVEGCSA-N -1 0 365.394 -0.972 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C1CCC1 ZINC000665328954 484151521 /nfs/dbraw/zinc/15/15/21/484151521.db2.gz WUOODAUXCYURQM-LBPRGKRZSA-N -1 0 365.394 -0.972 20 0 FBADRM CC(C)C(=O)N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000665372668 484193086 /nfs/dbraw/zinc/19/30/86/484193086.db2.gz RSVKUVPXVYIKFE-UHFFFAOYSA-N -1 0 355.416 -0.020 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000665379504 484202085 /nfs/dbraw/zinc/20/20/85/484202085.db2.gz RLAYVPCYXLOUKE-GFCCVEGCSA-N -1 0 369.443 -0.024 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000665379505 484201781 /nfs/dbraw/zinc/20/17/81/484201781.db2.gz RLAYVPCYXLOUKE-LBPRGKRZSA-N -1 0 369.443 -0.024 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCN(C(=O)C3CC3)CC2)c1 ZINC000665387137 484210947 /nfs/dbraw/zinc/21/09/47/484210947.db2.gz HVGZLUGNQMKFKS-UHFFFAOYSA-N -1 0 353.400 -0.266 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CC1 ZINC000665424445 484229249 /nfs/dbraw/zinc/22/92/49/484229249.db2.gz NDHZKVDMMXJWAR-UHFFFAOYSA-N -1 0 359.386 -0.124 20 0 FBADRM C[NH+](C)CCN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000665528971 484297398 /nfs/dbraw/zinc/29/73/98/484297398.db2.gz UKQULYOGMNKWQK-UHFFFAOYSA-N -1 0 356.448 -0.641 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC000665563179 484316277 /nfs/dbraw/zinc/31/62/77/484316277.db2.gz GZKPZEQAKAILDU-UHFFFAOYSA-N -1 0 369.403 -0.123 20 0 FBADRM CCNC(=O)N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000665607141 484354356 /nfs/dbraw/zinc/35/43/56/484354356.db2.gz VFNDNKXKJQEVHN-UHFFFAOYSA-N -1 0 356.404 -0.473 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CC1 ZINC000665618457 484363917 /nfs/dbraw/zinc/36/39/17/484363917.db2.gz SDNDFXZBYYXJIM-UHFFFAOYSA-N -1 0 352.372 -0.253 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CC1 ZINC000665999764 484223686 /nfs/dbraw/zinc/22/36/86/484223686.db2.gz RRKZXJUOCBZBQV-UHFFFAOYSA-N -1 0 359.386 -0.076 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCN(c3cnccn3)CC2)c1 ZINC000666156368 484220581 /nfs/dbraw/zinc/22/05/81/484220581.db2.gz BZIHSSCTABTACI-UHFFFAOYSA-N -1 0 363.399 -0.208 20 0 FBADRM CN(C)CC(=O)N1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CC1 ZINC000666266237 484565642 /nfs/dbraw/zinc/56/56/42/484565642.db2.gz OTVZRRBSOKMXOO-UHFFFAOYSA-N -1 0 359.386 -0.124 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CC1 ZINC000666272514 484565076 /nfs/dbraw/zinc/56/50/76/484565076.db2.gz BMBVREWQKQPLNR-UHFFFAOYSA-N -1 0 359.386 -0.030 20 0 FBADRM CN(C)C(=O)N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000666293268 484564849 /nfs/dbraw/zinc/56/48/49/484564849.db2.gz CWMPBHVGKBSQCP-UHFFFAOYSA-N -1 0 356.404 -0.521 20 0 FBADRM CC(=O)N1CCN(CCNC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CC1 ZINC000666399693 484569192 /nfs/dbraw/zinc/56/91/92/484569192.db2.gz SCQLZVGYMIRUEX-UHFFFAOYSA-N -1 0 359.386 -0.076 20 0 FBADRM Cn1[n-]c(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1=O ZINC000666405979 484568751 /nfs/dbraw/zinc/56/87/51/484568751.db2.gz NYGHYGPRBCXIRD-UHFFFAOYSA-N -1 0 365.415 -0.265 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2)CCO1 ZINC000666513190 484571813 /nfs/dbraw/zinc/57/18/13/484571813.db2.gz LTVHZFCWJOZTPD-GFCCVEGCSA-N -1 0 357.388 -0.540 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2)CCO1 ZINC000666513191 484571401 /nfs/dbraw/zinc/57/14/01/484571401.db2.gz LTVHZFCWJOZTPD-LBPRGKRZSA-N -1 0 357.388 -0.540 20 0 FBADRM CS(=O)(=O)NC1(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)CCCCC1 ZINC000666513194 484571597 /nfs/dbraw/zinc/57/15/97/484571597.db2.gz MDIZNBUPXHBKKT-LLVKDONJSA-N -1 0 363.436 -0.267 20 0 FBADRM CS(=O)(=O)NC1(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)CCCCC1 ZINC000666513195 484572120 /nfs/dbraw/zinc/57/21/20/484572120.db2.gz MDIZNBUPXHBKKT-NSHDSACASA-N -1 0 363.436 -0.267 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000666513210 484571518 /nfs/dbraw/zinc/57/15/18/484571518.db2.gz OEGJAKLLXKLYRW-CYBMUJFWSA-N -1 0 371.415 -0.232 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000666513211 484571677 /nfs/dbraw/zinc/57/16/77/484571677.db2.gz OEGJAKLLXKLYRW-ZDUSSCGKSA-N -1 0 371.415 -0.232 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCS(=O)(=O)NCc2ccccc2)CCO1 ZINC000666518041 484571512 /nfs/dbraw/zinc/57/15/12/484571512.db2.gz NOWZZCJXDVKYAC-CYBMUJFWSA-N -1 0 371.415 -0.399 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCS(=O)(=O)NCc2ccccc2)CCO1 ZINC000666518045 484571718 /nfs/dbraw/zinc/57/17/18/484571718.db2.gz NOWZZCJXDVKYAC-ZDUSSCGKSA-N -1 0 371.415 -0.399 20 0 FBADRM COc1ccc(C(=O)NCCNC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000666520086 484571475 /nfs/dbraw/zinc/57/14/75/484571475.db2.gz ISSDOUOEIITMGK-CYBMUJFWSA-N -1 0 351.359 -0.080 20 0 FBADRM COc1ccc(C(=O)NCCNC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000666520087 484571469 /nfs/dbraw/zinc/57/14/69/484571469.db2.gz ISSDOUOEIITMGK-ZDUSSCGKSA-N -1 0 351.359 -0.080 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCNC(=O)Cc2cccc(F)c2)CCO1 ZINC000666524000 484572237 /nfs/dbraw/zinc/57/22/37/484572237.db2.gz VMQBVYMMXQZMCL-CYBMUJFWSA-N -1 0 353.350 -0.021 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCNC(=O)Cc2cccc(F)c2)CCO1 ZINC000666524001 484571611 /nfs/dbraw/zinc/57/16/11/484571611.db2.gz VMQBVYMMXQZMCL-ZDUSSCGKSA-N -1 0 353.350 -0.021 20 0 FBADRM O=C([O-])CCCCNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000666526543 484571440 /nfs/dbraw/zinc/57/14/40/484571440.db2.gz CAGBAEBMAVJWLE-UHFFFAOYSA-N -1 0 353.466 -0.081 20 0 FBADRM CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCO[C@H](C(=O)[O-])C2)ncn1 ZINC000666532101 484571929 /nfs/dbraw/zinc/57/19/29/484571929.db2.gz OJFKMTZYSJVIIG-NEPJUHHUSA-N -1 0 364.406 -0.018 20 0 FBADRM CNc1cc(N2CCC[C@H]2CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)ncn1 ZINC000666532103 484571661 /nfs/dbraw/zinc/57/16/61/484571661.db2.gz OJFKMTZYSJVIIG-NWDGAFQWSA-N -1 0 364.406 -0.018 20 0 FBADRM CNc1cc(N2CCC[C@H]2CNC(=O)N2CCO[C@H](C(=O)[O-])C2)ncn1 ZINC000666532104 484572094 /nfs/dbraw/zinc/57/20/94/484572094.db2.gz OJFKMTZYSJVIIG-RYUDHWBXSA-N -1 0 364.406 -0.018 20 0 FBADRM CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)ncn1 ZINC000666532105 484572127 /nfs/dbraw/zinc/57/21/27/484572127.db2.gz OJFKMTZYSJVIIG-VXGBXAGGSA-N -1 0 364.406 -0.018 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccs2)CCO1 ZINC000666536643 484572009 /nfs/dbraw/zinc/57/20/09/484572009.db2.gz FGSHEGXLQZXOFO-SECBINFHSA-N -1 0 363.417 -0.479 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccs2)CCO1 ZINC000666536644 484572060 /nfs/dbraw/zinc/57/20/60/484572060.db2.gz FGSHEGXLQZXOFO-VIFPVBQESA-N -1 0 363.417 -0.479 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000666552447 484571546 /nfs/dbraw/zinc/57/15/46/484571546.db2.gz RBVVRVIVUUYDOU-GFCCVEGCSA-N -1 0 353.400 -0.077 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@H]2C(=O)NC2CC2)c1 ZINC000666552448 484571851 /nfs/dbraw/zinc/57/18/51/484571851.db2.gz RBVVRVIVUUYDOU-LBPRGKRZSA-N -1 0 353.400 -0.077 20 0 FBADRM O=C([O-])c1cccc(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 ZINC000666566775 484572635 /nfs/dbraw/zinc/57/26/35/484572635.db2.gz VODDVOMASCUDOM-UHFFFAOYSA-N -1 0 373.373 -0.575 20 0 FBADRM C[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000666567642 484572704 /nfs/dbraw/zinc/57/27/04/484572704.db2.gz KIWWVOZDAIMAFU-BNOWGMLFSA-N -1 0 374.397 -0.057 20 0 FBADRM C[C@@H]1C(=O)NCCN1C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000666567647 484573040 /nfs/dbraw/zinc/57/30/40/484573040.db2.gz KIWWVOZDAIMAFU-KWCYVHTRSA-N -1 0 374.397 -0.057 20 0 FBADRM C[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000666567648 484572772 /nfs/dbraw/zinc/57/27/72/484572772.db2.gz KIWWVOZDAIMAFU-MRVWCRGKSA-N -1 0 374.397 -0.057 20 0 FBADRM C[C@@H]1C(=O)NCCN1C(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000666567650 484572912 /nfs/dbraw/zinc/57/29/12/484572912.db2.gz KIWWVOZDAIMAFU-XBFCOCLRSA-N -1 0 374.397 -0.057 20 0 FBADRM COCCNS(=O)(=O)c1ccc(CNC(=O)c2cc(=O)n(C)[n-]2)cc1 ZINC000666605030 484573164 /nfs/dbraw/zinc/57/31/64/484573164.db2.gz LIYIAMTVJFJQEC-UHFFFAOYSA-N -1 0 368.415 -0.020 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCc2nnc3n2CCCC3)c1 ZINC000666611661 484572830 /nfs/dbraw/zinc/57/28/30/484572830.db2.gz DKRQFSUGDKHWEN-UHFFFAOYSA-N -1 0 351.388 -0.103 20 0 FBADRM Cn1[n-]c(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1=O ZINC000666639718 484574491 /nfs/dbraw/zinc/57/44/91/484574491.db2.gz LSTKZLKEXYJYSF-UHFFFAOYSA-N -1 0 357.370 -0.372 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCC(=O)NCC(F)(F)F)c1 ZINC000666697281 484575602 /nfs/dbraw/zinc/57/56/02/484575602.db2.gz ZKDNTVQHQRJOOB-UHFFFAOYSA-N -1 0 355.294 -0.552 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)CN2CCN(C3CC3)C2=O)s1 ZINC000666974884 484581088 /nfs/dbraw/zinc/58/10/88/484581088.db2.gz BIJCIXLCNBSOLW-UHFFFAOYSA-N -1 0 360.421 -0.252 20 0 FBADRM CN1NN=C2C1=NCC[C@H]2C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000666974986 484581210 /nfs/dbraw/zinc/58/12/10/484581210.db2.gz DKOQMEMKPWEUIQ-RXMQYKEDSA-N -1 0 358.409 -0.928 20 0 FBADRM CN1NN=C2C1=NCC[C@@H]2C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000666974987 484581184 /nfs/dbraw/zinc/58/11/84/484581184.db2.gz DKOQMEMKPWEUIQ-YFKPBYRVSA-N -1 0 358.409 -0.928 20 0 FBADRM CCC[C@H](C(=O)Nc1nnc([N-]S(C)(=O)=O)s1)S(N)(=O)=O ZINC000666975067 484580232 /nfs/dbraw/zinc/58/02/32/484580232.db2.gz GZFWRPSHRAQRIN-RXMQYKEDSA-N -1 0 357.439 -0.695 20 0 FBADRM CCC[C@@H](C(=O)Nc1nnc([N-]S(C)(=O)=O)s1)S(N)(=O)=O ZINC000666975068 484581115 /nfs/dbraw/zinc/58/11/15/484581115.db2.gz GZFWRPSHRAQRIN-YFKPBYRVSA-N -1 0 357.439 -0.695 20 0 FBADRM CCS(=O)(=O)N[C@H](C)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000666975424 484580518 /nfs/dbraw/zinc/58/05/18/484580518.db2.gz OSSQEDSUABXMLF-RXMQYKEDSA-N -1 0 357.439 -0.824 20 0 FBADRM CCS(=O)(=O)N[C@@H](C)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000666975425 484580857 /nfs/dbraw/zinc/58/08/57/484580857.db2.gz OSSQEDSUABXMLF-YFKPBYRVSA-N -1 0 357.439 -0.824 20 0 FBADRM CC(C)(C)n1nnc(CC(=O)Nc2nnc([N-]S(C)(=O)=O)s2)n1 ZINC000666975825 484580153 /nfs/dbraw/zinc/58/01/53/484580153.db2.gz ZERIFOCPPFIOPL-UHFFFAOYSA-N -1 0 360.425 -0.168 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC000667062562 484582811 /nfs/dbraw/zinc/58/28/11/484582811.db2.gz ILVFHTUMBWAADX-UHFFFAOYSA-N -1 0 369.403 -0.765 20 0 FBADRM O=C(NCCN1CCS(=O)(=O)CC1)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000667161516 484584282 /nfs/dbraw/zinc/58/42/82/484584282.db2.gz JZWGEVYRYZKDGJ-UHFFFAOYSA-N -1 0 366.399 -0.510 20 0 FBADRM COCCCNC(=O)CN(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000667310293 484587335 /nfs/dbraw/zinc/58/73/35/484587335.db2.gz YERKIYUPLFEODQ-UHFFFAOYSA-N -1 0 359.404 -0.736 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000667564585 484590551 /nfs/dbraw/zinc/59/05/51/484590551.db2.gz QXKDHIUHOZJOPX-UHFFFAOYSA-N -1 0 365.433 -0.903 20 0 FBADRM O=C(NCCN1CCCS1(=O)=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000667600897 484592193 /nfs/dbraw/zinc/59/21/93/484592193.db2.gz JXMPYNFAVKGBRS-UHFFFAOYSA-N -1 0 352.372 -0.205 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)c1 ZINC000667667674 484592344 /nfs/dbraw/zinc/59/23/44/484592344.db2.gz SVXCBULJRADGSB-JTQLQIEISA-N -1 0 353.356 -0.941 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)c1 ZINC000667667675 484591479 /nfs/dbraw/zinc/59/14/79/484591479.db2.gz SVXCBULJRADGSB-SNVBAGLBSA-N -1 0 353.356 -0.941 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000667668416 484591617 /nfs/dbraw/zinc/59/16/17/484591617.db2.gz MQAUVWDTZBHEDL-UHFFFAOYSA-N -1 0 365.433 -0.901 20 0 FBADRM Cn1[n-]c(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1=O ZINC000667671027 484591873 /nfs/dbraw/zinc/59/18/73/484591873.db2.gz FNKWYYIPCLEWLU-UHFFFAOYSA-N -1 0 358.402 -0.011 20 0 FBADRM CC1(C)CN(CCNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCO1 ZINC000667825977 484596801 /nfs/dbraw/zinc/59/68/01/484596801.db2.gz OWGZYXKNVMWZDH-UHFFFAOYSA-N -1 0 357.432 -0.120 20 0 FBADRM CN(C)C(=O)[C@@H]1CSCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000667843096 484596619 /nfs/dbraw/zinc/59/66/19/484596619.db2.gz YEJHGTIWGBEHGY-JTQLQIEISA-N -1 0 359.429 -0.357 20 0 FBADRM CN(C)C(=O)[C@H]1CSCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000667843097 484597024 /nfs/dbraw/zinc/59/70/24/484597024.db2.gz YEJHGTIWGBEHGY-SNVBAGLBSA-N -1 0 359.429 -0.357 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCN(c3cccnn3)CC2)c1 ZINC000667853298 484596954 /nfs/dbraw/zinc/59/69/54/484596954.db2.gz ZUCXORBLQBECKO-UHFFFAOYSA-N -1 0 363.399 -0.208 20 0 FBADRM NC(=O)NC[C@H]1CCCCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000667895894 484598237 /nfs/dbraw/zinc/59/82/37/484598237.db2.gz DRVKSDPKUMOEMR-SECBINFHSA-N -1 0 356.404 -0.297 20 0 FBADRM NC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000667895895 484597934 /nfs/dbraw/zinc/59/79/34/484597934.db2.gz DRVKSDPKUMOEMR-VIFPVBQESA-N -1 0 356.404 -0.297 20 0 FBADRM Cn1[n-]c(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1=O ZINC000667913931 484597874 /nfs/dbraw/zinc/59/78/74/484597874.db2.gz UMMGTKIWBGQAHX-UHFFFAOYSA-N -1 0 359.390 -0.616 20 0 FBADRM NS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000667988657 484599121 /nfs/dbraw/zinc/59/91/21/484599121.db2.gz QWFVYXVMNDNAMC-JTQLQIEISA-N -1 0 367.387 -0.116 20 0 FBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000667988658 484599131 /nfs/dbraw/zinc/59/91/31/484599131.db2.gz QWFVYXVMNDNAMC-SNVBAGLBSA-N -1 0 367.387 -0.116 20 0 FBADRM Cc1nc2n(n1)C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])CC2 ZINC000668008790 484599214 /nfs/dbraw/zinc/59/92/14/484599214.db2.gz DBRKMVIHMNNXMA-SECBINFHSA-N -1 0 351.388 -0.316 20 0 FBADRM Cc1nc2n(n1)C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])CC2 ZINC000668008791 484599147 /nfs/dbraw/zinc/59/91/47/484599147.db2.gz DBRKMVIHMNNXMA-VIFPVBQESA-N -1 0 351.388 -0.316 20 0 FBADRM NS(=O)(=O)C1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CC1 ZINC000668113995 483880482 /nfs/dbraw/zinc/88/04/82/483880482.db2.gz GRIRJAGWYSZJLW-UHFFFAOYSA-N -1 0 352.372 -0.077 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000668153155 484601378 /nfs/dbraw/zinc/60/13/78/484601378.db2.gz IFHKNZLSDKUBSK-GFCCVEGCSA-N -1 0 373.369 -0.503 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000668153156 484601710 /nfs/dbraw/zinc/60/17/10/484601710.db2.gz IFHKNZLSDKUBSK-LBPRGKRZSA-N -1 0 373.369 -0.503 20 0 FBADRM CC1(C)COCCN1CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000668169381 484602236 /nfs/dbraw/zinc/60/22/36/484602236.db2.gz PUILNZIDAQMSOU-UHFFFAOYSA-N -1 0 357.432 -0.120 20 0 FBADRM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC000668237275 483415850 /nfs/dbraw/zinc/41/58/50/483415850.db2.gz JOPFEZIMNHXQDJ-GFCCVEGCSA-N -1 0 353.423 -0.575 20 0 FBADRM COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC000668237276 483416082 /nfs/dbraw/zinc/41/60/82/483416082.db2.gz JOPFEZIMNHXQDJ-LBPRGKRZSA-N -1 0 353.423 -0.575 20 0 FBADRM COCCOCCN(C)C(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000668299082 483516569 /nfs/dbraw/zinc/51/65/69/483516569.db2.gz SQDRQJPKNGFYOZ-UHFFFAOYSA-N -1 0 374.415 -0.216 20 0 FBADRM O=C([O-])C1(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CCOCC1 ZINC000668299338 483517099 /nfs/dbraw/zinc/51/70/99/483517099.db2.gz AXRPMWRKKMZRKK-GFCCVEGCSA-N -1 0 360.432 -0.106 20 0 FBADRM O=C([O-])C1(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CCOCC1 ZINC000668299339 483517208 /nfs/dbraw/zinc/51/72/08/483517208.db2.gz AXRPMWRKKMZRKK-LBPRGKRZSA-N -1 0 360.432 -0.106 20 0 FBADRM O=C([O-])c1cnc(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cn1 ZINC000668299374 483517307 /nfs/dbraw/zinc/51/73/07/483517307.db2.gz BVWBYNPTWYZACU-JTQLQIEISA-N -1 0 354.388 -0.185 20 0 FBADRM O=C([O-])c1cnc(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cn1 ZINC000668299375 483517155 /nfs/dbraw/zinc/51/71/55/483517155.db2.gz BVWBYNPTWYZACU-SNVBAGLBSA-N -1 0 354.388 -0.185 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)nn1 ZINC000668299543 483517235 /nfs/dbraw/zinc/51/72/35/483517235.db2.gz JUJOWZKRJRZGRR-JTQLQIEISA-N -1 0 357.392 -0.997 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)nn1 ZINC000668299544 483517113 /nfs/dbraw/zinc/51/71/13/483517113.db2.gz JUJOWZKRJRZGRR-SNVBAGLBSA-N -1 0 357.392 -0.997 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC000668303217 483517323 /nfs/dbraw/zinc/51/73/23/483517323.db2.gz AXRBMEIJYFIYKP-UHFFFAOYSA-N -1 0 372.403 -0.701 20 0 FBADRM CN(CCNC(=O)Cn1cc(C(=O)[O-])nn1)S(=O)(=O)c1cccs1 ZINC000668303340 483516638 /nfs/dbraw/zinc/51/66/38/483516638.db2.gz DPVQIBHKXMEKKR-UHFFFAOYSA-N -1 0 373.416 -0.525 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC000668303373 483517335 /nfs/dbraw/zinc/51/73/35/483517335.db2.gz GDGNLKIBMDLEAW-UHFFFAOYSA-N -1 0 371.415 -0.096 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)c2cc(C(=O)[O-])ccn2)CC1 ZINC000668303441 483517354 /nfs/dbraw/zinc/51/73/54/483517354.db2.gz IDDDCPKYVHCSME-UHFFFAOYSA-N -1 0 371.415 -0.096 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)C[C@@H](C)CC(=O)[O-])CC1 ZINC000668303469 483517332 /nfs/dbraw/zinc/51/73/32/483517332.db2.gz JAWOEKNWRNNPKL-GFCCVEGCSA-N -1 0 350.437 -0.002 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)C[C@H](C)CC(=O)[O-])CC1 ZINC000668303470 483516538 /nfs/dbraw/zinc/51/65/38/483516538.db2.gz JAWOEKNWRNNPKL-LBPRGKRZSA-N -1 0 350.437 -0.002 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC000668303620 483516753 /nfs/dbraw/zinc/51/67/53/483516753.db2.gz NGORLZFEULSUSC-NEPJUHHUSA-N -1 0 364.420 -0.871 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CC1 ZINC000668303621 483516558 /nfs/dbraw/zinc/51/65/58/483516558.db2.gz NGORLZFEULSUSC-NWDGAFQWSA-N -1 0 364.420 -0.871 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC000668303622 483516960 /nfs/dbraw/zinc/51/69/60/483516960.db2.gz NGORLZFEULSUSC-RYUDHWBXSA-N -1 0 364.420 -0.871 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])O2)CC1 ZINC000668303623 483517978 /nfs/dbraw/zinc/51/79/78/483517978.db2.gz NGORLZFEULSUSC-VXGBXAGGSA-N -1 0 364.420 -0.871 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)C(=O)[O-])CC1 ZINC000668303732 483518049 /nfs/dbraw/zinc/51/80/49/483518049.db2.gz RPOKMLOBNPBECC-UHFFFAOYSA-N -1 0 350.437 -0.002 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC000668303821 483518019 /nfs/dbraw/zinc/51/80/19/483518019.db2.gz VHFMQXPCITTYNE-UHFFFAOYSA-N -1 0 371.415 -0.096 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)c2cccc(C(=O)[O-])n2)CC1 ZINC000668303822 483518842 /nfs/dbraw/zinc/51/88/42/483518842.db2.gz VHQJOWJIGSSOBH-UHFFFAOYSA-N -1 0 371.415 -0.096 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])C2CCOCC2)n(C)c1 ZINC000668305861 483518159 /nfs/dbraw/zinc/51/81/59/483518159.db2.gz YTYQZQXILPSRMN-CYBMUJFWSA-N -1 0 373.431 -0.115 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])C2CCOCC2)n(C)c1 ZINC000668305862 483518436 /nfs/dbraw/zinc/51/84/36/483518436.db2.gz YTYQZQXILPSRMN-ZDUSSCGKSA-N -1 0 373.431 -0.115 20 0 FBADRM CN(CC(=O)N[C@H](C(=O)[O-])C1CCOCC1)S(=O)(=O)c1cccnc1 ZINC000668307028 483517918 /nfs/dbraw/zinc/51/79/18/483517918.db2.gz YJUAJNPIPFFMEG-AWEZNQCLSA-N -1 0 371.415 -0.302 20 0 FBADRM CN(CC(=O)N[C@@H](C(=O)[O-])C1CCOCC1)S(=O)(=O)c1cccnc1 ZINC000668307029 483518520 /nfs/dbraw/zinc/51/85/20/483518520.db2.gz YJUAJNPIPFFMEG-CQSZACIVSA-N -1 0 371.415 -0.302 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@@H](C(=O)[O-])C2CCOCC2)c1 ZINC000668307329 483518697 /nfs/dbraw/zinc/51/86/97/483518697.db2.gz DARMMXPUGWJOQL-GFCCVEGCSA-N -1 0 359.404 -0.125 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@H](C(=O)[O-])C2CCOCC2)c1 ZINC000668307330 483518704 /nfs/dbraw/zinc/51/87/04/483518704.db2.gz DARMMXPUGWJOQL-LBPRGKRZSA-N -1 0 359.404 -0.125 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000668307987 483517827 /nfs/dbraw/zinc/51/78/27/483517827.db2.gz QVCVAXPUITYLBJ-CYBMUJFWSA-N -1 0 366.436 -0.673 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000668307988 483517814 /nfs/dbraw/zinc/51/78/14/483517814.db2.gz QVCVAXPUITYLBJ-ZDUSSCGKSA-N -1 0 366.436 -0.673 20 0 FBADRM CO[C@]1(CNC(=O)CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)CCOC1 ZINC000668316841 483516627 /nfs/dbraw/zinc/51/66/27/483516627.db2.gz VISIVYNZBLTDDQ-HNNXBMFYSA-N -1 0 372.399 -0.415 20 0 FBADRM CO[C@@]1(CNC(=O)CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)CCOC1 ZINC000668316842 483517325 /nfs/dbraw/zinc/51/73/25/483517325.db2.gz VISIVYNZBLTDDQ-OAHLLOKOSA-N -1 0 372.399 -0.415 20 0 FBADRM C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@@H](C)N1CCOCC1 ZINC000668319226 483518887 /nfs/dbraw/zinc/51/88/87/483518887.db2.gz DNEHJFPLVGCNHS-GHMZBOCLSA-N -1 0 357.432 -0.121 20 0 FBADRM C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@H](C)N1CCOCC1 ZINC000668319227 483517962 /nfs/dbraw/zinc/51/79/62/483517962.db2.gz DNEHJFPLVGCNHS-MNOVXSKESA-N -1 0 357.432 -0.121 20 0 FBADRM C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@H](C)N1CCOCC1 ZINC000668319228 483518750 /nfs/dbraw/zinc/51/87/50/483518750.db2.gz DNEHJFPLVGCNHS-QWRGUYRKSA-N -1 0 357.432 -0.121 20 0 FBADRM C[C@H]([C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])N1CCOCC1 ZINC000668319229 483518333 /nfs/dbraw/zinc/51/83/33/483518333.db2.gz DNEHJFPLVGCNHS-WDEREUQCSA-N -1 0 357.432 -0.121 20 0 FBADRM CC(C)(C)S(=O)(=O)N1CCC(NC(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000668320898 483521458 /nfs/dbraw/zinc/52/14/58/483521458.db2.gz JQSLSKAOURIMAB-UHFFFAOYSA-N -1 0 373.435 -0.315 20 0 FBADRM CO[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)C[C@@H]1OC ZINC000668321019 483522146 /nfs/dbraw/zinc/52/21/46/483522146.db2.gz LVGTZSCPZDOIQE-BETUJISGSA-N -1 0 372.399 -0.465 20 0 FBADRM O=C([O-])c1cnc(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cn1 ZINC000668324402 483520449 /nfs/dbraw/zinc/52/04/49/483520449.db2.gz SFVYJGUUKSJWNA-UHFFFAOYSA-N -1 0 354.388 -0.185 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)nn1 ZINC000668324497 483520875 /nfs/dbraw/zinc/52/08/75/483520875.db2.gz UPGMCRZTENHSJF-UHFFFAOYSA-N -1 0 357.392 -0.997 20 0 FBADRM O=C([O-])C1(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)CCOCC1 ZINC000668324763 483521503 /nfs/dbraw/zinc/52/15/03/483521503.db2.gz ZPRZZWBBCDJHEE-UHFFFAOYSA-N -1 0 360.432 -0.106 20 0 FBADRM CO[C@@H]1COC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000668325532 483521273 /nfs/dbraw/zinc/52/12/73/483521273.db2.gz VXXPNGHQTKCLBF-NWDGAFQWSA-N -1 0 358.372 -0.807 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCCCN2C(=O)CCC2=O)c1 ZINC000668362619 483523208 /nfs/dbraw/zinc/52/32/08/483523208.db2.gz AUPOSANXFMYVEE-UHFFFAOYSA-N -1 0 355.372 -0.692 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000668377654 483565081 /nfs/dbraw/zinc/56/50/81/483565081.db2.gz CUQRJAIBBXQCGP-DZGCQCFKSA-N -1 0 369.443 -0.289 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000668377655 483564906 /nfs/dbraw/zinc/56/49/06/483564906.db2.gz CUQRJAIBBXQCGP-HIFRSBDPSA-N -1 0 369.443 -0.289 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000668377656 483565348 /nfs/dbraw/zinc/56/53/48/483565348.db2.gz CUQRJAIBBXQCGP-UKRRQHHQSA-N -1 0 369.443 -0.289 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000668377657 483565242 /nfs/dbraw/zinc/56/52/42/483565242.db2.gz CUQRJAIBBXQCGP-ZFWWWQNUSA-N -1 0 369.443 -0.289 20 0 FBADRM CC(C)(O)CN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000668379851 483573529 /nfs/dbraw/zinc/57/35/29/483573529.db2.gz NYWSXYDTLJCSMA-UHFFFAOYSA-N -1 0 357.432 -0.432 20 0 FBADRM CC(C)(CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-])NS(C)(=O)=O ZINC000668525936 483784940 /nfs/dbraw/zinc/78/49/40/483784940.db2.gz VOARHISSDCTCGC-UHFFFAOYSA-N -1 0 365.433 -0.903 20 0 FBADRM CCOCCN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000668557659 483826814 /nfs/dbraw/zinc/82/68/14/483826814.db2.gz OMINFXPPNXPDLB-UHFFFAOYSA-N -1 0 357.432 -0.166 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)c1cc(=O)[nH][n-]1)C(=O)NCCN1CCOCC1 ZINC000668587486 483839118 /nfs/dbraw/zinc/83/91/18/483839118.db2.gz OSQDIABEJOURHR-BXUZGUMPSA-N -1 0 353.423 -0.292 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)c1cc(=O)[nH][n-]1)C(=O)NCCN1CCOCC1 ZINC000668587487 483838963 /nfs/dbraw/zinc/83/89/63/483838963.db2.gz OSQDIABEJOURHR-FZMZJTMJSA-N -1 0 353.423 -0.292 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)c1cc(=O)[nH][n-]1)C(=O)NCCN1CCOCC1 ZINC000668587588 483838908 /nfs/dbraw/zinc/83/89/08/483838908.db2.gz OSQDIABEJOURHR-RISCZKNCSA-N -1 0 353.423 -0.292 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)c1cc(=O)[nH][n-]1)C(=O)NCCN1CCOCC1 ZINC000668587589 483838863 /nfs/dbraw/zinc/83/88/63/483838863.db2.gz OSQDIABEJOURHR-SMDDNHRTSA-N -1 0 353.423 -0.292 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)c1cc(=O)n(C)[n-]1)C(=O)NCCN1CCOCC1 ZINC000668587748 483839009 /nfs/dbraw/zinc/83/90/09/483839009.db2.gz RDMSZCKQVODKLN-DOMZBBRYSA-N -1 0 367.450 -0.281 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)c1cc(=O)n(C)[n-]1)C(=O)NCCN1CCOCC1 ZINC000668587749 483839125 /nfs/dbraw/zinc/83/91/25/483839125.db2.gz RDMSZCKQVODKLN-IUODEOHRSA-N -1 0 367.450 -0.281 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)c1cc(=O)n(C)[n-]1)C(=O)NCCN1CCOCC1 ZINC000668587750 483839000 /nfs/dbraw/zinc/83/90/00/483839000.db2.gz RDMSZCKQVODKLN-SWLSCSKDSA-N -1 0 367.450 -0.281 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)c1cc(=O)n(C)[n-]1)C(=O)NCCN1CCOCC1 ZINC000668587751 483839034 /nfs/dbraw/zinc/83/90/34/483839034.db2.gz RDMSZCKQVODKLN-WFASDCNBSA-N -1 0 367.450 -0.281 20 0 FBADRM Cn1[n-]c(C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)cc1=O ZINC000668603238 483848553 /nfs/dbraw/zinc/84/85/53/483848553.db2.gz BYOUJIHFZBLJAN-UHFFFAOYSA-N -1 0 351.392 -0.626 20 0 FBADRM CCN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@H](C)CS(C)(=O)=O ZINC000668661018 483895362 /nfs/dbraw/zinc/89/53/62/483895362.db2.gz CHXQVBXKVMEJTC-SECBINFHSA-N -1 0 364.445 -0.065 20 0 FBADRM CCN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@@H](C)CS(C)(=O)=O ZINC000668661019 483895526 /nfs/dbraw/zinc/89/55/26/483895526.db2.gz CHXQVBXKVMEJTC-VIFPVBQESA-N -1 0 364.445 -0.065 20 0 FBADRM CN(C)c1ncc(CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])n1C ZINC000668663874 483898813 /nfs/dbraw/zinc/89/88/13/483898813.db2.gz MNAUEZULKYSFBX-UHFFFAOYSA-N -1 0 353.404 -0.231 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000668664285 483899861 /nfs/dbraw/zinc/89/98/61/483899861.db2.gz PVSVDMITPVJXNL-LLVKDONJSA-N -1 0 352.372 -0.077 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000668664286 483899662 /nfs/dbraw/zinc/89/96/62/483899662.db2.gz PVSVDMITPVJXNL-NSHDSACASA-N -1 0 352.372 -0.077 20 0 FBADRM CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000668674943 483913033 /nfs/dbraw/zinc/91/30/33/483913033.db2.gz VAULFDQEBFJSKX-GFCCVEGCSA-N -1 0 370.475 -0.205 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CC1 ZINC000668674978 483913826 /nfs/dbraw/zinc/91/38/26/483913826.db2.gz HSNGZGWTEFKJAG-UHFFFAOYSA-N -1 0 359.386 -0.076 20 0 FBADRM COCCN(CC(=O)N(C)C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000668683072 483935345 /nfs/dbraw/zinc/93/53/45/483935345.db2.gz FFEMCDQPFOLPIQ-UHFFFAOYSA-N -1 0 359.404 -0.784 20 0 FBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000668711704 483992145 /nfs/dbraw/zinc/99/21/45/483992145.db2.gz JEAXGZZTSLLUOG-SECBINFHSA-N -1 0 364.445 -0.065 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000668711706 483991700 /nfs/dbraw/zinc/99/17/00/483991700.db2.gz JEAXGZZTSLLUOG-VIFPVBQESA-N -1 0 364.445 -0.065 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)c1cc(=O)n(C)[n-]1 ZINC000668718835 484000003 /nfs/dbraw/zinc/00/00/03/484000003.db2.gz YMLDIVMQNRDQSD-UHFFFAOYSA-N -1 0 368.415 -0.332 20 0 FBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000668740691 484058863 /nfs/dbraw/zinc/05/88/63/484058863.db2.gz UZMUQJWWLKQQKF-MRVPVSSYSA-N -1 0 350.418 -0.407 20 0 FBADRM CCS(=O)(=O)C[C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000668740692 484059602 /nfs/dbraw/zinc/05/96/02/484059602.db2.gz UZMUQJWWLKQQKF-QMMMGPOBSA-N -1 0 350.418 -0.407 20 0 FBADRM CCS(=O)(=O)N[C@H](C)C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000668743045 484064873 /nfs/dbraw/zinc/06/48/73/484064873.db2.gz DYVOPUKIBFBZGV-SECBINFHSA-N -1 0 355.420 -0.004 20 0 FBADRM CCS(=O)(=O)N[C@@H](C)C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000668743046 484065188 /nfs/dbraw/zinc/06/51/88/484065188.db2.gz DYVOPUKIBFBZGV-VIFPVBQESA-N -1 0 355.420 -0.004 20 0 FBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CNS(=O)(=O)N(C)C ZINC000668743742 484067442 /nfs/dbraw/zinc/06/74/42/484067442.db2.gz JHDZQTDBXSSCHC-UHFFFAOYSA-N -1 0 356.408 -0.936 20 0 FBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1nc(N)nc(N(C)C)n1 ZINC000668744746 484071883 /nfs/dbraw/zinc/07/18/83/484071883.db2.gz RVVLAMFNLOZTIX-UHFFFAOYSA-N -1 0 357.378 -0.185 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000668852439 484403162 /nfs/dbraw/zinc/40/31/62/484403162.db2.gz YBLRHFXKXTYVSZ-LLVKDONJSA-N -1 0 352.372 -0.206 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000668852440 484403245 /nfs/dbraw/zinc/40/32/45/484403245.db2.gz YBLRHFXKXTYVSZ-NSHDSACASA-N -1 0 352.372 -0.206 20 0 FBADRM O=C(CNS(=O)(=O)c1cccnc1)NC1(c2nnn[n-]2)CCCC1 ZINC000668869440 484452469 /nfs/dbraw/zinc/45/24/69/484452469.db2.gz NJOLRYIXYCJVMS-UHFFFAOYSA-N -1 0 351.392 -0.541 20 0 FBADRM Cc1cnc(S(C)(=O)=O)nc1C(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000668870661 484465197 /nfs/dbraw/zinc/46/51/97/484465197.db2.gz FYDOCJSHBLNTAM-UHFFFAOYSA-N -1 0 351.392 -0.099 20 0 FBADRM Nc1ccccc1S(=O)(=O)NCC(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000668871249 483422785 /nfs/dbraw/zinc/42/27/85/483422785.db2.gz KUAOIAZTFIOLSK-UHFFFAOYSA-N -1 0 365.419 -0.354 20 0 FBADRM COCCNS(=O)(=O)c1cccc(CNC(=O)c2cc(=O)n(C)[n-]2)c1 ZINC000668879911 483431230 /nfs/dbraw/zinc/43/12/30/483431230.db2.gz WWNVNCWIMMBQOT-UHFFFAOYSA-N -1 0 368.415 -0.020 20 0 FBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000668926640 483572134 /nfs/dbraw/zinc/57/21/34/483572134.db2.gz SAOIUAPOIRLZBJ-BDAKNGLRSA-N -1 0 362.429 -0.313 20 0 FBADRM C[C@@H]1[C@H](C)N(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCS1(=O)=O ZINC000668926642 483571965 /nfs/dbraw/zinc/57/19/65/483571965.db2.gz SAOIUAPOIRLZBJ-DTWKUNHWSA-N -1 0 362.429 -0.313 20 0 FBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000668926643 483572314 /nfs/dbraw/zinc/57/23/14/483572314.db2.gz SAOIUAPOIRLZBJ-IUCAKERBSA-N -1 0 362.429 -0.313 20 0 FBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000668926644 483572805 /nfs/dbraw/zinc/57/28/05/483572805.db2.gz SAOIUAPOIRLZBJ-RKDXNWHRSA-N -1 0 362.429 -0.313 20 0 FBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000668946825 483643483 /nfs/dbraw/zinc/64/34/83/483643483.db2.gz HVODGDYJFMXCKN-LLVKDONJSA-N -1 0 352.372 -0.077 20 0 FBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC000668946830 483642911 /nfs/dbraw/zinc/64/29/11/483642911.db2.gz HVODGDYJFMXCKN-NSHDSACASA-N -1 0 352.372 -0.077 20 0 FBADRM C[C@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-])CN1CCOCC1 ZINC000669003493 483718859 /nfs/dbraw/zinc/71/88/59/483718859.db2.gz COJVEPLQCCZTKG-LLVKDONJSA-N -1 0 357.432 -0.262 20 0 FBADRM C[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-])CN1CCOCC1 ZINC000669003498 483719062 /nfs/dbraw/zinc/71/90/62/483719062.db2.gz COJVEPLQCCZTKG-NSHDSACASA-N -1 0 357.432 -0.262 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@@H]2CN2CCOCC2)c1 ZINC000669276157 483995588 /nfs/dbraw/zinc/99/55/88/483995588.db2.gz JGASZWHQPCAGOP-GFCCVEGCSA-N -1 0 369.443 -0.024 20 0 FBADRM CC(C)(CCS(C)(=O)=O)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000669314954 484192894 /nfs/dbraw/zinc/19/28/94/484192894.db2.gz VCXMAKUBMASKSM-UHFFFAOYSA-N -1 0 364.445 -0.017 20 0 FBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1=O ZINC000669346954 484233776 /nfs/dbraw/zinc/23/37/76/484233776.db2.gz JGZMZFANOHDZAH-KBVBSXBZSA-N -1 0 353.400 -0.221 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1=O ZINC000669346955 484234041 /nfs/dbraw/zinc/23/40/41/484234041.db2.gz JGZMZFANOHDZAH-LNLATYFQSA-N -1 0 353.400 -0.221 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1=O ZINC000669346956 484234138 /nfs/dbraw/zinc/23/41/38/484234138.db2.gz JGZMZFANOHDZAH-PTRXPTGYSA-N -1 0 353.400 -0.221 20 0 FBADRM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1=O ZINC000669346957 484233338 /nfs/dbraw/zinc/23/33/38/484233338.db2.gz JGZMZFANOHDZAH-VDDIYKPWSA-N -1 0 353.400 -0.221 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CCO1 ZINC000669445214 483885530 /nfs/dbraw/zinc/88/55/30/483885530.db2.gz GOTIRSZHZIBFSY-JTQLQIEISA-N -1 0 373.778 -0.006 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CCO1 ZINC000669445215 483885674 /nfs/dbraw/zinc/88/56/74/483885674.db2.gz GOTIRSZHZIBFSY-SNVBAGLBSA-N -1 0 373.778 -0.006 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cnn(CCO)c1 ZINC000669593686 484554047 /nfs/dbraw/zinc/55/40/47/484554047.db2.gz GZYLPHPNXDGIBR-UHFFFAOYSA-N -1 0 360.417 -0.416 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000669668557 485160698 /nfs/dbraw/zinc/16/06/98/485160698.db2.gz DAWAOPOKHMXKBZ-HNNXBMFYSA-N -1 0 356.400 -0.113 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000669668558 485160712 /nfs/dbraw/zinc/16/07/12/485160712.db2.gz DAWAOPOKHMXKBZ-OAHLLOKOSA-N -1 0 356.400 -0.113 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1C(=O)N(C)C ZINC000669668698 485160153 /nfs/dbraw/zinc/16/01/53/485160153.db2.gz SAZYZLUGJYHFSQ-HNNXBMFYSA-N -1 0 372.399 -0.081 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)cc1C(=O)N(C)C ZINC000669668699 485161236 /nfs/dbraw/zinc/16/12/36/485161236.db2.gz SAZYZLUGJYHFSQ-OAHLLOKOSA-N -1 0 372.399 -0.081 20 0 FBADRM O=C([O-])[C@]1(NS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CCOC1 ZINC000669668718 485160660 /nfs/dbraw/zinc/16/06/60/485160660.db2.gz WTZFTYUALLLDEL-HNNXBMFYSA-N -1 0 354.384 -0.326 20 0 FBADRM O=C([O-])[C@@]1(NS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CCOC1 ZINC000669668719 485160176 /nfs/dbraw/zinc/16/01/76/485160176.db2.gz WTZFTYUALLLDEL-OAHLLOKOSA-N -1 0 354.384 -0.326 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)s1 ZINC000669668726 485160493 /nfs/dbraw/zinc/16/04/93/485160493.db2.gz YFJOPEGQALWCDP-CYBMUJFWSA-N -1 0 362.429 -0.051 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)s1 ZINC000669668727 485160068 /nfs/dbraw/zinc/16/00/68/485160068.db2.gz YFJOPEGQALWCDP-ZDUSSCGKSA-N -1 0 362.429 -0.051 20 0 FBADRM C[C@@H]([C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)[O-])C1CC1 ZINC000669838863 484598319 /nfs/dbraw/zinc/59/83/19/484598319.db2.gz SGFFQFWVMOFBHX-JMCQJSRRSA-N -1 0 367.383 -0.006 20 0 FBADRM C[C@H]([C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)[O-])C1CC1 ZINC000669838864 484598037 /nfs/dbraw/zinc/59/80/37/484598037.db2.gz SGFFQFWVMOFBHX-JVXZTZIISA-N -1 0 367.383 -0.006 20 0 FBADRM C[C@@H]([C@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)[O-])C1CC1 ZINC000669838865 484598122 /nfs/dbraw/zinc/59/81/22/484598122.db2.gz SGFFQFWVMOFBHX-KRTXAFLBSA-N -1 0 367.383 -0.006 20 0 FBADRM C[C@H]([C@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)[O-])C1CC1 ZINC000669838866 484598304 /nfs/dbraw/zinc/59/83/04/484598304.db2.gz SGFFQFWVMOFBHX-MADCSZMMSA-N -1 0 367.383 -0.006 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000669920081 484864733 /nfs/dbraw/zinc/86/47/33/484864733.db2.gz GUFDIUSDMXWCPP-UHFFFAOYSA-N -1 0 361.445 -0.132 20 0 FBADRM Cc1cc(C(=O)NC2CC(NS(C)(=O)=O)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000669921755 484868669 /nfs/dbraw/zinc/86/86/69/484868669.db2.gz RUTDSBGCHAWGRC-UHFFFAOYSA-N -1 0 367.387 -0.446 20 0 FBADRM CS(=O)(=O)NC1CC(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000669923609 484875292 /nfs/dbraw/zinc/87/52/92/484875292.db2.gz ZEFYCECJAUQRDK-UHFFFAOYSA-N -1 0 353.360 -0.754 20 0 FBADRM O=C(COc1ccccc1)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000669935722 484932740 /nfs/dbraw/zinc/93/27/40/484932740.db2.gz RLODSPQBQVJKED-JTQLQIEISA-N -1 0 359.342 -0.308 20 0 FBADRM O=C(COc1ccccc1)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000669935723 484932094 /nfs/dbraw/zinc/93/20/94/484932094.db2.gz RLODSPQBQVJKED-SNVBAGLBSA-N -1 0 359.342 -0.308 20 0 FBADRM CCN1CC[C@@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1=O ZINC000669984248 485029988 /nfs/dbraw/zinc/02/99/88/485029988.db2.gz BBAPCPVBDCHTPG-SECBINFHSA-N -1 0 353.360 -0.665 20 0 FBADRM CCN1CC[C@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1=O ZINC000669984249 485029598 /nfs/dbraw/zinc/02/95/98/485029598.db2.gz BBAPCPVBDCHTPG-VIFPVBQESA-N -1 0 353.360 -0.665 20 0 FBADRM C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000670162590 484144047 /nfs/dbraw/zinc/14/40/47/484144047.db2.gz NUQMJBWFXPQXED-SECBINFHSA-N -1 0 367.387 -0.230 20 0 FBADRM C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000670162591 484144426 /nfs/dbraw/zinc/14/44/26/484144426.db2.gz NUQMJBWFXPQXED-VIFPVBQESA-N -1 0 367.387 -0.230 20 0 FBADRM CCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C1=O ZINC000670169653 484199651 /nfs/dbraw/zinc/19/96/51/484199651.db2.gz UMIKIPZIGSAABD-GFCCVEGCSA-N -1 0 355.416 -0.007 20 0 FBADRM CCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C1=O ZINC000670169654 484199662 /nfs/dbraw/zinc/19/96/62/484199662.db2.gz UMIKIPZIGSAABD-LBPRGKRZSA-N -1 0 355.416 -0.007 20 0 FBADRM CS(=O)(=O)NC1CC(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1 ZINC000670265808 484080120 /nfs/dbraw/zinc/08/01/20/484080120.db2.gz IWXGNBUWAUXHEF-UHFFFAOYSA-N -1 0 352.372 -0.160 20 0 FBADRM C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@@H](C3N=NC(=O)O3)C2)CC1=O ZINC000670383740 484781489 /nfs/dbraw/zinc/78/14/89/484781489.db2.gz KRURCEVPGFBYPM-NEPJUHHUSA-N -1 0 351.407 -0.109 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](CO)CN1CCOCC1 ZINC000670385562 484786811 /nfs/dbraw/zinc/78/68/11/484786811.db2.gz QYOROFZQYDVUNP-GFCCVEGCSA-N -1 0 357.432 -0.519 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H](CO)CN1CCOCC1 ZINC000670385563 484787538 /nfs/dbraw/zinc/78/75/38/484787538.db2.gz QYOROFZQYDVUNP-LBPRGKRZSA-N -1 0 357.432 -0.519 20 0 FBADRM Nc1ncncc1CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000670419528 484906264 /nfs/dbraw/zinc/90/62/64/484906264.db2.gz ZXXIAJHHUFLVKC-UHFFFAOYSA-N -1 0 357.342 -0.068 20 0 FBADRM C[C@@]1(c2ccc(C(=O)NC[C@@H]3C[N@@H+]4CCN3CCC4)cc2)NC(=O)NC1=O ZINC000670447147 484988367 /nfs/dbraw/zinc/98/83/67/484988367.db2.gz LAUALUUWZSSSLK-BEFAXECRSA-N -1 0 371.441 -0.139 20 0 FBADRM C[C@]1(c2ccc(C(=O)NC[C@@H]3C[N@@H+]4CCN3CCC4)cc2)NC(=O)NC1=O ZINC000670447148 484988717 /nfs/dbraw/zinc/98/87/17/484988717.db2.gz LAUALUUWZSSSLK-DNVCBOLYSA-N -1 0 371.441 -0.139 20 0 FBADRM C[C@]1(c2ccc(C(=O)NC[C@H]3C[N@@H+]4CCN3CCC4)cc2)NC(=O)NC1=O ZINC000670447149 484988220 /nfs/dbraw/zinc/98/82/20/484988220.db2.gz LAUALUUWZSSSLK-HNAYVOBHSA-N -1 0 371.441 -0.139 20 0 FBADRM C[C@@]1(c2ccc(C(=O)NC[C@H]3C[N@@H+]4CCN3CCC4)cc2)NC(=O)NC1=O ZINC000670447150 484988590 /nfs/dbraw/zinc/98/85/90/484988590.db2.gz LAUALUUWZSSSLK-KXBFYZLASA-N -1 0 371.441 -0.139 20 0 FBADRM CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC000670456342 485000692 /nfs/dbraw/zinc/00/06/92/485000692.db2.gz PWLUGJIKFFVILJ-GFCCVEGCSA-N -1 0 360.418 -0.305 20 0 FBADRM CC[C@H](C)NC(=O)CN1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC000670456343 485000625 /nfs/dbraw/zinc/00/06/25/485000625.db2.gz PWLUGJIKFFVILJ-LBPRGKRZSA-N -1 0 360.418 -0.305 20 0 FBADRM COc1ccc(Cn2cc(NC(=O)C(=O)NCc3nnn[n-]3)cn2)cc1 ZINC000671260875 484793134 /nfs/dbraw/zinc/79/31/34/484793134.db2.gz WJATUKFORDUFIC-UHFFFAOYSA-N -1 0 356.346 -0.292 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)N(CCO)CCC(=O)[O-])c1 ZINC000671644921 484041761 /nfs/dbraw/zinc/04/17/61/484041761.db2.gz JSCGJJWEUBRQQR-UHFFFAOYSA-N -1 0 374.415 -0.480 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)cc1C ZINC000671661084 484178203 /nfs/dbraw/zinc/17/82/03/484178203.db2.gz LUFRNQSBWHAUEC-UHFFFAOYSA-N -1 0 373.416 -0.474 20 0 FBADRM NC(=O)c1c[nH]nc1[N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000671661110 484178334 /nfs/dbraw/zinc/17/83/34/484178334.db2.gz PLIKVMSPOASPRQ-UHFFFAOYSA-N -1 0 356.385 -0.361 20 0 FBADRM COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1n[nH]cc1C(N)=O ZINC000671661138 484178364 /nfs/dbraw/zinc/17/83/64/484178364.db2.gz VXQNVDTVAPDGAE-UHFFFAOYSA-N -1 0 374.400 -0.279 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)cc1 ZINC000671661155 484178935 /nfs/dbraw/zinc/17/89/35/484178935.db2.gz YRGHYTCEWYUDMU-UHFFFAOYSA-N -1 0 351.388 -0.012 20 0 FBADRM CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1n[nH]cc1C(N)=O ZINC000671661206 484178511 /nfs/dbraw/zinc/17/85/11/484178511.db2.gz CPANYPRCHITZSC-UHFFFAOYSA-N -1 0 373.416 -0.392 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1n[nH]cc1C(N)=O ZINC000671661295 484178584 /nfs/dbraw/zinc/17/85/84/484178584.db2.gz JAPMOPKACTYDLR-UHFFFAOYSA-N -1 0 359.389 -0.783 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1n[nH]cc1C(N)=O ZINC000671661303 484178181 /nfs/dbraw/zinc/17/81/81/484178181.db2.gz JSOVFXKKOWBGLC-UHFFFAOYSA-N -1 0 373.416 -0.440 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]c3n[nH]cc3C(N)=O)cc2n(C)c1=O ZINC000671661322 484178373 /nfs/dbraw/zinc/17/83/73/484178373.db2.gz KQQQGZRWUAZMGH-UHFFFAOYSA-N -1 0 350.360 -0.500 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)c1 ZINC000671661354 484178420 /nfs/dbraw/zinc/17/84/20/484178420.db2.gz MZNBILVNSXSYOH-UHFFFAOYSA-N -1 0 373.416 -0.440 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)cc1F ZINC000671661364 484178840 /nfs/dbraw/zinc/17/88/40/484178840.db2.gz NMNYQBMBXPSIBZ-UHFFFAOYSA-N -1 0 362.364 -0.148 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)c1 ZINC000671661382 484178965 /nfs/dbraw/zinc/17/89/65/484178965.db2.gz OHLNNEPOCCHQDI-UHFFFAOYSA-N -1 0 359.389 -0.783 20 0 FBADRM COc1ccc(CNC(C)=O)cc1S(=O)(=O)[N-]c1n[nH]cc1C(N)=O ZINC000671661419 484178823 /nfs/dbraw/zinc/17/88/23/484178823.db2.gz QDZCMELEZDXVQI-UHFFFAOYSA-N -1 0 367.387 -0.046 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)[N-]c1n[nH]cc1C(N)=O)OCC(=O)N2 ZINC000671661467 484179848 /nfs/dbraw/zinc/17/98/48/484179848.db2.gz TUZIWMSVAIUFFP-UHFFFAOYSA-N -1 0 367.343 -0.351 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)c1 ZINC000671661531 484180550 /nfs/dbraw/zinc/18/05/50/484180550.db2.gz YEPZIYDWWDSCJJ-UHFFFAOYSA-N -1 0 367.387 -0.314 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(N)=O)n[nH]2)c1 ZINC000671668262 484189749 /nfs/dbraw/zinc/18/97/49/484189749.db2.gz GQGUPFKRCZCLNZ-UHFFFAOYSA-N -1 0 367.387 -0.314 20 0 FBADRM CN(C)S(=O)(=O)c1cc(NC(=O)c2n[nH]c(=O)[n-]c2=O)ccc1F ZINC000672063569 484612567 /nfs/dbraw/zinc/61/25/67/484612567.db2.gz NSSMJMKOYLOFQN-UHFFFAOYSA-N -1 0 357.323 -0.076 20 0 FBADRM Cn1cccc1C(=O)N1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC000672752216 484679349 /nfs/dbraw/zinc/67/93/49/484679349.db2.gz XOWSFHPKQVHAOU-UHFFFAOYSA-N -1 0 350.404 -0.075 20 0 FBADRM NC(=O)C[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000672775165 484229614 /nfs/dbraw/zinc/22/96/14/484229614.db2.gz VGTDQAMNLRUIRD-JTQLQIEISA-N -1 0 369.399 -0.613 20 0 FBADRM NC(=O)C[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000672775166 484229218 /nfs/dbraw/zinc/22/92/18/484229218.db2.gz VGTDQAMNLRUIRD-SNVBAGLBSA-N -1 0 369.399 -0.613 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)N2CCN(C)CC2)ccc1[O-] ZINC000673129491 484695542 /nfs/dbraw/zinc/69/55/42/484695542.db2.gz GZEYYRRFEOQJMZ-LLVKDONJSA-N -1 0 356.448 -0.125 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@H](C)N2CCN(C)CC2)ccc1[O-] ZINC000673129492 484694689 /nfs/dbraw/zinc/69/46/89/484694689.db2.gz GZEYYRRFEOQJMZ-NSHDSACASA-N -1 0 356.448 -0.125 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@H](CC(N)=O)C2)c1 ZINC000673411283 484708564 /nfs/dbraw/zinc/70/85/64/484708564.db2.gz NNEWOJZQJSTWQV-JTQLQIEISA-N -1 0 355.416 -0.020 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@H](CC(N)=O)C2)c1 ZINC000673411284 484708076 /nfs/dbraw/zinc/70/80/76/484708076.db2.gz NNEWOJZQJSTWQV-SNVBAGLBSA-N -1 0 355.416 -0.020 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CCS(=O)(=O)N(C)C)ccc1[O-] ZINC000673448315 484711607 /nfs/dbraw/zinc/71/16/07/484711607.db2.gz GPSDDDVPZLHPJR-UHFFFAOYSA-N -1 0 365.433 -0.480 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CN2C(=O)CN(C)C2=O)ccc1[O-] ZINC000673448334 484711590 /nfs/dbraw/zinc/71/15/90/484711590.db2.gz JSHOTHQMVQAOCO-UHFFFAOYSA-N -1 0 356.360 -0.867 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]c1cnn(CC(=O)N2CCOCC2)c1 ZINC000673474098 484710938 /nfs/dbraw/zinc/71/09/38/484710938.db2.gz ZOGHSPOZPSPKBX-UHFFFAOYSA-N -1 0 368.419 -0.415 20 0 FBADRM CN(Cc1n[n-]c(=O)o1)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000673478014 484711172 /nfs/dbraw/zinc/71/11/72/484711172.db2.gz APECGKJNBPXSBO-UHFFFAOYSA-N -1 0 371.353 -0.195 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2n[n-]c(=O)o2)c1 ZINC000673478213 484710716 /nfs/dbraw/zinc/71/07/16/484710716.db2.gz GPYKYNCRJKEBCZ-UHFFFAOYSA-N -1 0 370.387 -0.028 20 0 FBADRM CN(Cc1n[n-]c(=O)o1)C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000673478346 484711302 /nfs/dbraw/zinc/71/13/02/484711302.db2.gz UDGIBIIFNGEDMC-UHFFFAOYSA-N -1 0 360.124 -0.541 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2n[n-]c(=O)o2)cc1 ZINC000673478747 483824636 /nfs/dbraw/zinc/82/46/36/483824636.db2.gz HGACLXLLUKAPQO-UHFFFAOYSA-N -1 0 370.387 -0.028 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N(C)Cc2n[n-]c(=O)o2)ccc1OC ZINC000673480011 484710859 /nfs/dbraw/zinc/71/08/59/484710859.db2.gz JMFXUXOVOSMTMT-UHFFFAOYSA-N -1 0 356.360 -0.036 20 0 FBADRM Cc1cc(C(=O)N2CCN(CC(=O)N(C)C)CC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000673631718 484720752 /nfs/dbraw/zinc/72/07/52/484720752.db2.gz PCPZTUOIEINMEK-UHFFFAOYSA-N -1 0 374.401 -0.410 20 0 FBADRM Cc1cc(C(=O)NCCCN(C)S(C)(=O)=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000673638465 484720942 /nfs/dbraw/zinc/72/09/42/484720942.db2.gz ATWDBECGCJSPQZ-UHFFFAOYSA-N -1 0 369.403 -0.244 20 0 FBADRM Cc1cc(C(=O)NCC(C)(C)NS(C)(=O)=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000673666037 484722523 /nfs/dbraw/zinc/72/25/23/484722523.db2.gz LUHKWPVAYKIYDB-UHFFFAOYSA-N -1 0 369.403 -0.198 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NCc2nnn[n-]2)CCCC1 ZINC000673668323 484722317 /nfs/dbraw/zinc/72/23/17/484722317.db2.gz WHHWUEXBYISOQX-UHFFFAOYSA-N -1 0 369.407 -0.288 20 0 FBADRM Cc1cc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000673700483 484724500 /nfs/dbraw/zinc/72/45/00/484724500.db2.gz ZABYHSKRDGOMEW-UHFFFAOYSA-N -1 0 358.314 -0.606 20 0 FBADRM C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NCc1nnn[n-]1 ZINC000673740966 484724986 /nfs/dbraw/zinc/72/49/86/484724986.db2.gz OISIZNOSUDLAQS-INIZCTEOSA-N -1 0 355.358 -0.185 20 0 FBADRM C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NCc1nnn[n-]1 ZINC000673740967 484724360 /nfs/dbraw/zinc/72/43/60/484724360.db2.gz OISIZNOSUDLAQS-MRXNPFEDSA-N -1 0 355.358 -0.185 20 0 FBADRM CS(=O)(=O)NCCc1ccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)cc1 ZINC000673943388 484731400 /nfs/dbraw/zinc/73/14/00/484731400.db2.gz GRVWQHKMCHZUEL-UHFFFAOYSA-N -1 0 367.431 -0.035 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000673949029 484730847 /nfs/dbraw/zinc/73/08/47/484730847.db2.gz KKDZKHCBQBKXGS-QMMMGPOBSA-N -1 0 367.387 -0.304 20 0 FBADRM O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000673966113 484731121 /nfs/dbraw/zinc/73/11/21/484731121.db2.gz PLBIOFXGDDJWMM-SFYZADRCSA-N -1 0 371.191 -0.409 20 0 FBADRM NC(=O)CN(C1CCCC1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000674075767 484733499 /nfs/dbraw/zinc/73/34/99/484733499.db2.gz MDLARFXAFMEOTM-UHFFFAOYSA-N -1 0 367.387 -0.145 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)c2cnc([O-])n(C)c2=O)cc1 ZINC000674368567 484743016 /nfs/dbraw/zinc/74/30/16/484743016.db2.gz IMZPZRRYFFJBCE-UHFFFAOYSA-N -1 0 366.399 -0.535 20 0 FBADRM CN(c1ccc(CNC(=O)c2cnc([O-])n(C)c2=O)cc1)S(C)(=O)=O ZINC000674389397 484744370 /nfs/dbraw/zinc/74/43/70/484744370.db2.gz UOLSABBXXBEENJ-UHFFFAOYSA-N -1 0 366.399 -0.188 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCCCn3cncn3)cc-2c(=O)[n-]1 ZINC000674485857 484748610 /nfs/dbraw/zinc/74/86/10/484748610.db2.gz BXTGSDOMAJQGBY-UHFFFAOYSA-N -1 0 351.348 -0.604 20 0 FBADRM CN(CC(=O)N1CCCC1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000674485870 484748857 /nfs/dbraw/zinc/74/88/57/484748857.db2.gz CWHWFDSPHDKXLO-UHFFFAOYSA-N -1 0 367.387 -0.321 20 0 FBADRM CCN(CC(=O)N(C)C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000674486655 484748493 /nfs/dbraw/zinc/74/84/93/484748493.db2.gz ZLNOATWVDUKNLG-UHFFFAOYSA-N -1 0 355.376 -0.465 20 0 FBADRM C[C@@H]1CC(=O)NCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000674487289 484749447 /nfs/dbraw/zinc/74/94/47/484749447.db2.gz NFYVHGHSZPBVBJ-SSDOTTSWSA-N -1 0 353.360 -0.665 20 0 FBADRM C[C@H]1CC(=O)NCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000674487290 484749582 /nfs/dbraw/zinc/74/95/82/484749582.db2.gz NFYVHGHSZPBVBJ-ZETCQYMHSA-N -1 0 353.360 -0.665 20 0 FBADRM O=C(CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)NC1CCCC1 ZINC000674487402 484750112 /nfs/dbraw/zinc/75/01/12/484750112.db2.gz QAGXSWUBZVXTRQ-UHFFFAOYSA-N -1 0 367.387 -0.227 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCCOC[C@@H]3CCOC3)cc-2c(=O)[n-]1 ZINC000674487458 484749556 /nfs/dbraw/zinc/74/95/56/484749556.db2.gz KEWKLYXVYHHHLG-SECBINFHSA-N -1 0 370.387 -0.233 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCCOC[C@H]3CCOC3)cc-2c(=O)[n-]1 ZINC000674487462 484749869 /nfs/dbraw/zinc/74/98/69/484749869.db2.gz KEWKLYXVYHHHLG-VIFPVBQESA-N -1 0 370.387 -0.233 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCc3nnnn3C3CC3)cc-2c(=O)[n-]1 ZINC000674487570 484749414 /nfs/dbraw/zinc/74/94/14/484749414.db2.gz RJGRDUYRFMDTQE-UHFFFAOYSA-N -1 0 364.347 -0.764 20 0 FBADRM CN(CCN1CCCS1(=O)=O)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000674494772 484749397 /nfs/dbraw/zinc/74/93/97/484749397.db2.gz BKHKONDMFSTAJT-UHFFFAOYSA-N -1 0 372.472 -0.024 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2c(C(=O)NCc3n[nH]c(=O)[n-]3)cc(C3CC3)nc21 ZINC000674718764 484759413 /nfs/dbraw/zinc/75/94/13/484759413.db2.gz CRUONEOVVILAJI-UHFFFAOYSA-N -1 0 357.330 -0.335 20 0 FBADRM COc1cc(C(=O)N2C[C@H](O)C[C@H](O)C2)cc([N-]S(C)(=O)=O)c1OC ZINC000674804231 484762260 /nfs/dbraw/zinc/76/22/60/484762260.db2.gz AIVZPOAZWHGOIV-PHIMTYICSA-N -1 0 374.415 -0.357 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000675138362 484770391 /nfs/dbraw/zinc/77/03/91/484770391.db2.gz PMUUWGDFSHWUGL-UHFFFAOYSA-N -1 0 370.387 -0.076 20 0 FBADRM CCC[C@@H](NC(=O)CCNS(=O)(=O)c1cccnc1)c1nnn[n-]1 ZINC000675144987 484770771 /nfs/dbraw/zinc/77/07/71/484770771.db2.gz XYFPIWFEDNXBHM-LLVKDONJSA-N -1 0 353.408 -0.079 20 0 FBADRM CCC[C@H](NC(=O)CCNS(=O)(=O)c1cccnc1)c1nnn[n-]1 ZINC000675144989 484770657 /nfs/dbraw/zinc/77/06/57/484770657.db2.gz XYFPIWFEDNXBHM-NSHDSACASA-N -1 0 353.408 -0.079 20 0 FBADRM CCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)c1nnn[n-]1 ZINC000675145414 484770462 /nfs/dbraw/zinc/77/04/62/484770462.db2.gz RNUKAJQMCYGZQS-PSASIEDQSA-N -1 0 356.412 -0.742 20 0 FBADRM CCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)c1nnn[n-]1 ZINC000675145415 484770594 /nfs/dbraw/zinc/77/05/94/484770594.db2.gz RNUKAJQMCYGZQS-SCZZXKLOSA-N -1 0 356.412 -0.742 20 0 FBADRM CCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)c1nnn[n-]1 ZINC000675145416 484769992 /nfs/dbraw/zinc/76/99/92/484769992.db2.gz RNUKAJQMCYGZQS-WCBMZHEXSA-N -1 0 356.412 -0.742 20 0 FBADRM CCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)c1nnn[n-]1 ZINC000675145417 484770205 /nfs/dbraw/zinc/77/02/05/484770205.db2.gz RNUKAJQMCYGZQS-WPRPVWTQSA-N -1 0 356.412 -0.742 20 0 FBADRM O=C(c1cccc(CN2CCOCC2)c1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000675279865 484772623 /nfs/dbraw/zinc/77/26/23/484772623.db2.gz YXHAAOBXGDTAJE-HNNXBMFYSA-N -1 0 358.398 -0.105 20 0 FBADRM O=C(c1cccc(CN2CCOCC2)c1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000675279866 484772830 /nfs/dbraw/zinc/77/28/30/484772830.db2.gz YXHAAOBXGDTAJE-OAHLLOKOSA-N -1 0 358.398 -0.105 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)CC1 ZINC000675304574 484772944 /nfs/dbraw/zinc/77/29/44/484772944.db2.gz YRVMNPVYLUYLJF-UHFFFAOYSA-N -1 0 365.419 -0.618 20 0 FBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000675553760 484778306 /nfs/dbraw/zinc/77/83/06/484778306.db2.gz OCZRBPCEYUODJF-UHFFFAOYSA-N -1 0 368.459 -0.096 20 0 FBADRM O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NCc1n[nH]c(=O)[n-]1 ZINC000675818329 484784990 /nfs/dbraw/zinc/78/49/90/484784990.db2.gz NNGSGTYORNUNAZ-UHFFFAOYSA-N -1 0 359.390 -0.350 20 0 FBADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)CNC(=O)CNC(C)=O)cc1 ZINC000675947789 484787076 /nfs/dbraw/zinc/78/70/76/484787076.db2.gz JOVGTQCUCYUIIM-CYBMUJFWSA-N -1 0 351.359 -0.421 20 0 FBADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)CNC(=O)CNC(C)=O)cc1 ZINC000675947791 484786792 /nfs/dbraw/zinc/78/67/92/484786792.db2.gz JOVGTQCUCYUIIM-ZDUSSCGKSA-N -1 0 351.359 -0.421 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000675961593 484787473 /nfs/dbraw/zinc/78/74/73/484787473.db2.gz YCUJBMMOJWJFAE-GFCCVEGCSA-N -1 0 369.399 -0.600 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000675961594 484787588 /nfs/dbraw/zinc/78/75/88/484787588.db2.gz YCUJBMMOJWJFAE-LBPRGKRZSA-N -1 0 369.399 -0.600 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)[C@H](C)C(=O)[O-])c1 ZINC000675991771 484788292 /nfs/dbraw/zinc/78/82/92/484788292.db2.gz TUILJXARZRFNBI-LLVKDONJSA-N -1 0 373.431 -0.190 20 0 FBADRM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCOCCOC)cc1 ZINC000676103027 484792927 /nfs/dbraw/zinc/79/29/27/484792927.db2.gz KGNAERUSGJCQOT-UHFFFAOYSA-N -1 0 352.434 -0.001 20 0 FBADRM C[C@@H](CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000676207913 484793915 /nfs/dbraw/zinc/79/39/15/484793915.db2.gz ZZZDIWCVLXWQDG-JTQLQIEISA-N -1 0 359.404 -0.361 20 0 FBADRM C[C@H](CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000676207914 484794166 /nfs/dbraw/zinc/79/41/66/484794166.db2.gz ZZZDIWCVLXWQDG-SNVBAGLBSA-N -1 0 359.404 -0.361 20 0 FBADRM CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N(CCOC)CC(=O)[O-] ZINC000676208033 484793927 /nfs/dbraw/zinc/79/39/27/484793927.db2.gz FYNTWOFYBDOTHO-CYBMUJFWSA-N -1 0 362.390 -0.166 20 0 FBADRM CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N(CCOC)CC(=O)[O-] ZINC000676208034 484793907 /nfs/dbraw/zinc/79/39/07/484793907.db2.gz FYNTWOFYBDOTHO-ZDUSSCGKSA-N -1 0 362.390 -0.166 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000676208258 484794221 /nfs/dbraw/zinc/79/42/21/484794221.db2.gz PWMBFKMKVATKBH-DOMZBBRYSA-N -1 0 352.391 -0.111 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000676208259 484794111 /nfs/dbraw/zinc/79/41/11/484794111.db2.gz PWMBFKMKVATKBH-IUODEOHRSA-N -1 0 352.391 -0.111 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000676208260 484794272 /nfs/dbraw/zinc/79/42/72/484794272.db2.gz PWMBFKMKVATKBH-SWLSCSKDSA-N -1 0 352.391 -0.111 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000676208261 484794019 /nfs/dbraw/zinc/79/40/19/484794019.db2.gz PWMBFKMKVATKBH-WFASDCNBSA-N -1 0 352.391 -0.111 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000676208407 484794072 /nfs/dbraw/zinc/79/40/72/484794072.db2.gz XLPAUYDUPXLGHE-UHFFFAOYSA-N -1 0 358.372 -0.881 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000676208421 484794242 /nfs/dbraw/zinc/79/42/42/484794242.db2.gz YCSGPYYLTYNFTK-UHFFFAOYSA-N -1 0 364.152 -0.729 20 0 FBADRM CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C(=O)[O-] ZINC000676208481 484794266 /nfs/dbraw/zinc/79/42/66/484794266.db2.gz AMLQRFYMYYESBR-CYBMUJFWSA-N -1 0 373.431 -0.115 20 0 FBADRM CC(C)[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C(=O)[O-] ZINC000676208482 484793942 /nfs/dbraw/zinc/79/39/42/484793942.db2.gz AMLQRFYMYYESBR-ZDUSSCGKSA-N -1 0 373.431 -0.115 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)c1ccc(CCNS(C)(=O)=O)cc1 ZINC000676208513 484793934 /nfs/dbraw/zinc/79/39/34/484793934.db2.gz BXEPAFZHXBVXLS-UHFFFAOYSA-N -1 0 358.416 -0.049 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000676208526 484794159 /nfs/dbraw/zinc/79/41/59/484794159.db2.gz CCAGBDCWGZHCHG-UHFFFAOYSA-N -1 0 355.372 -0.089 20 0 FBADRM CNC(=O)COc1ccc(C(=O)N(CCOC)CC(=O)[O-])cc1OC ZINC000676208581 484794099 /nfs/dbraw/zinc/79/40/99/484794099.db2.gz DMHDGFVRRZPLHV-UHFFFAOYSA-N -1 0 354.359 -0.007 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000676208714 484794067 /nfs/dbraw/zinc/79/40/67/484794067.db2.gz CEKKWBTYJSIJDC-UHFFFAOYSA-N -1 0 364.358 -0.886 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)CNC(=O)c1cnc2ccccc2c1O ZINC000676208929 484794135 /nfs/dbraw/zinc/79/41/35/484794135.db2.gz KLNQNFNDIQKVQA-UHFFFAOYSA-N -1 0 361.354 -0.183 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC000676209199 484793938 /nfs/dbraw/zinc/79/39/38/484793938.db2.gz QIKSBCFHNBUKNJ-GFCCVEGCSA-N -1 0 366.374 -0.264 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC000676209200 484793911 /nfs/dbraw/zinc/79/39/11/484793911.db2.gz QIKSBCFHNBUKNJ-LBPRGKRZSA-N -1 0 366.374 -0.264 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000676209283 484794251 /nfs/dbraw/zinc/79/42/51/484794251.db2.gz UPPINCIKKSERPN-CQSZACIVSA-N -1 0 350.371 -0.026 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000676209297 484794048 /nfs/dbraw/zinc/79/40/48/484794048.db2.gz LGURJSRUAMKRJT-UHFFFAOYSA-N -1 0 372.399 -0.445 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N(CCOC)CC(=O)[O-])c1 ZINC000676209305 484794104 /nfs/dbraw/zinc/79/41/04/484794104.db2.gz VOOIFNTUFKAZBX-UHFFFAOYSA-N -1 0 363.392 -0.887 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000676209520 484794024 /nfs/dbraw/zinc/79/40/24/484794024.db2.gz SVXOFRJKSDTNDN-UHFFFAOYSA-N -1 0 362.390 -0.100 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NC2(C(=O)[O-])CCCC2)cn1C ZINC000676209681 484794119 /nfs/dbraw/zinc/79/41/19/484794119.db2.gz CECNNHJICKBXDV-UHFFFAOYSA-N -1 0 358.420 -0.089 20 0 FBADRM CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC1(C(=O)[O-])CCCC1 ZINC000676209861 484794357 /nfs/dbraw/zinc/79/43/57/484794357.db2.gz CPDGHDPSTADKEV-UHFFFAOYSA-N -1 0 363.436 -0.666 20 0 FBADRM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCCC1 ZINC000676210369 484794278 /nfs/dbraw/zinc/79/42/78/484794278.db2.gz YWTRAAUFEYTSAF-GHMZBOCLSA-N -1 0 358.416 -0.464 20 0 FBADRM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCCC1 ZINC000676210372 484793921 /nfs/dbraw/zinc/79/39/21/484793921.db2.gz YWTRAAUFEYTSAF-MNOVXSKESA-N -1 0 358.416 -0.464 20 0 FBADRM O=C([O-])C1(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCCC1 ZINC000676210373 484794046 /nfs/dbraw/zinc/79/40/46/484794046.db2.gz YWTRAAUFEYTSAF-QWRGUYRKSA-N -1 0 358.416 -0.464 20 0 FBADRM O=C([O-])C1(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCCC1 ZINC000676210375 484794082 /nfs/dbraw/zinc/79/40/82/484794082.db2.gz YWTRAAUFEYTSAF-WDEREUQCSA-N -1 0 358.416 -0.464 20 0 FBADRM Cn1c2ncn(CC(=O)Nc3cccc(CC(=O)[O-])c3)c2c(=O)n(C)c1=O ZINC000676210627 484794258 /nfs/dbraw/zinc/79/42/58/484794258.db2.gz MBIRFWBIPOEAAL-UHFFFAOYSA-N -1 0 371.353 -0.301 20 0 FBADRM CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000676212086 484794092 /nfs/dbraw/zinc/79/40/92/484794092.db2.gz BMKJJSODNRCVCR-CHWSQXEVSA-N -1 0 360.374 -0.413 20 0 FBADRM CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000676212087 484794397 /nfs/dbraw/zinc/79/43/97/484794397.db2.gz BMKJJSODNRCVCR-OLZOCXBDSA-N -1 0 360.374 -0.413 20 0 FBADRM CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000676212088 484794086 /nfs/dbraw/zinc/79/40/86/484794086.db2.gz BMKJJSODNRCVCR-QWHCGFSZSA-N -1 0 360.374 -0.413 20 0 FBADRM CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000676212089 484794387 /nfs/dbraw/zinc/79/43/87/484794387.db2.gz BMKJJSODNRCVCR-STQMWFEESA-N -1 0 360.374 -0.413 20 0 FBADRM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCO[C@H](C(=O)[O-])C1)C2=O ZINC000676212240 484795645 /nfs/dbraw/zinc/79/56/45/484795645.db2.gz FDDRYZJNWATXTG-GDLVEWKHSA-N -1 0 353.375 -0.201 20 0 FBADRM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000676212370 484795603 /nfs/dbraw/zinc/79/56/03/484795603.db2.gz DFFXGODVNRADOZ-JTQLQIEISA-N -1 0 358.372 -0.010 20 0 FBADRM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000676212371 484795162 /nfs/dbraw/zinc/79/51/62/484795162.db2.gz DFFXGODVNRADOZ-SNVBAGLBSA-N -1 0 358.372 -0.010 20 0 FBADRM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCO[C@@H](C(=O)[O-])C1)C2=O ZINC000676212418 484795609 /nfs/dbraw/zinc/79/56/09/484795609.db2.gz FDDRYZJNWATXTG-GLKRBJQHSA-N -1 0 353.375 -0.201 20 0 FBADRM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCO[C@H](C(=O)[O-])C1)C2=O ZINC000676212419 484795498 /nfs/dbraw/zinc/79/54/98/484795498.db2.gz FDDRYZJNWATXTG-OHUAYANFSA-N -1 0 353.375 -0.201 20 0 FBADRM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCO[C@@H](C(=O)[O-])C1)C2=O ZINC000676212420 484794955 /nfs/dbraw/zinc/79/49/55/484794955.db2.gz FDDRYZJNWATXTG-UVWXRNBGSA-N -1 0 353.375 -0.201 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000676212702 484795373 /nfs/dbraw/zinc/79/53/73/484795373.db2.gz GSDFLDLPJFKCJR-LLVKDONJSA-N -1 0 371.415 -0.407 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000676212703 484795290 /nfs/dbraw/zinc/79/52/90/484795290.db2.gz GSDFLDLPJFKCJR-NSHDSACASA-N -1 0 371.415 -0.407 20 0 FBADRM CN1C(=O)N(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)C(=O)C12CCCCC2 ZINC000676212758 484795799 /nfs/dbraw/zinc/79/57/99/484795799.db2.gz IETVKEMBYMNFKV-LLVKDONJSA-N -1 0 353.375 -0.105 20 0 FBADRM CN1C(=O)N(CC(=O)N2CCO[C@H](C(=O)[O-])C2)C(=O)C12CCCCC2 ZINC000676212760 484795525 /nfs/dbraw/zinc/79/55/25/484795525.db2.gz IETVKEMBYMNFKV-NSHDSACASA-N -1 0 353.375 -0.105 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000676212761 484795087 /nfs/dbraw/zinc/79/50/87/484795087.db2.gz IGVKKZSQBOMXKX-GXSJLCMTSA-N -1 0 360.363 -0.196 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000676212767 484795111 /nfs/dbraw/zinc/79/51/11/484795111.db2.gz IGVKKZSQBOMXKX-ONGXEEELSA-N -1 0 360.363 -0.196 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc(C3CC3)nc21 ZINC000676212785 484795294 /nfs/dbraw/zinc/79/52/94/484795294.db2.gz IJXRIUFPIVLZSI-LLVKDONJSA-N -1 0 374.353 -0.163 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc(C3CC3)nc21 ZINC000676212788 484795503 /nfs/dbraw/zinc/79/55/03/484795503.db2.gz IJXRIUFPIVLZSI-NSHDSACASA-N -1 0 374.353 -0.163 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000676213072 484795401 /nfs/dbraw/zinc/79/54/01/484795401.db2.gz JORPRLIVWUIWDK-GFCCVEGCSA-N -1 0 371.415 -0.265 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000676213073 484795124 /nfs/dbraw/zinc/79/51/24/484795124.db2.gz JORPRLIVWUIWDK-LBPRGKRZSA-N -1 0 371.415 -0.265 20 0 FBADRM CS(=O)(=O)NCCc1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)s1 ZINC000676213211 484795337 /nfs/dbraw/zinc/79/53/37/484795337.db2.gz KRHQZPHFFCMLIC-JTQLQIEISA-N -1 0 362.429 -0.235 20 0 FBADRM CS(=O)(=O)NCCc1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)s1 ZINC000676213216 484794937 /nfs/dbraw/zinc/79/49/37/484794937.db2.gz KRHQZPHFFCMLIC-SNVBAGLBSA-N -1 0 362.429 -0.235 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000676213302 484795731 /nfs/dbraw/zinc/79/57/31/484795731.db2.gz LPQQYWWMVZPCGI-SSDOTTSWSA-N -1 0 368.820 -0.008 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000676213303 484795438 /nfs/dbraw/zinc/79/54/38/484795438.db2.gz LPQQYWWMVZPCGI-ZETCQYMHSA-N -1 0 368.820 -0.008 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 ZINC000676213902 484795868 /nfs/dbraw/zinc/79/58/68/484795868.db2.gz OVWIBHBHJCLXQA-JTQLQIEISA-N -1 0 358.372 -0.153 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 ZINC000676213906 484795780 /nfs/dbraw/zinc/79/57/80/484795780.db2.gz OVWIBHBHJCLXQA-SNVBAGLBSA-N -1 0 358.372 -0.153 20 0 FBADRM Cn1c(C(=O)NC(C)(C)CCC(=O)[O-])cc2c1n(C)c(=O)n(C)c2=O ZINC000676214365 484795342 /nfs/dbraw/zinc/79/53/42/484795342.db2.gz VUUZGDHHNWRNAW-UHFFFAOYSA-N -1 0 350.375 -0.051 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CCO1 ZINC000676214404 484795555 /nfs/dbraw/zinc/79/55/55/484795555.db2.gz RJGIEBWCYKOLKN-SSDOTTSWSA-N -1 0 362.136 -0.977 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CCO1 ZINC000676214408 484795423 /nfs/dbraw/zinc/79/54/23/484795423.db2.gz RJGIEBWCYKOLKN-ZETCQYMHSA-N -1 0 362.136 -0.977 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCO[C@H](C(=O)[O-])C1)C2=O ZINC000676214436 484795448 /nfs/dbraw/zinc/79/54/48/484795448.db2.gz RNTLSXLQJXDYHB-CSJGVYOVSA-N -1 0 353.375 -0.201 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCO[C@@H](C(=O)[O-])C1)C2=O ZINC000676214438 484795240 /nfs/dbraw/zinc/79/52/40/484795240.db2.gz RNTLSXLQJXDYHB-NOEPWBJOSA-N -1 0 353.375 -0.201 20 0 FBADRM CNC(=O)COc1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1OC ZINC000676214517 484795432 /nfs/dbraw/zinc/79/54/32/484795432.db2.gz GXTAGWPTJKHADH-CYBMUJFWSA-N -1 0 352.343 -0.254 20 0 FBADRM CNC(=O)COc1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1OC ZINC000676214521 484795657 /nfs/dbraw/zinc/79/56/57/484795657.db2.gz GXTAGWPTJKHADH-ZDUSSCGKSA-N -1 0 352.343 -0.254 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CCO1 ZINC000676214546 484794881 /nfs/dbraw/zinc/79/48/81/484794881.db2.gz SUYZBNVDNBHTRF-AWEZNQCLSA-N -1 0 373.365 -0.630 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CCO1 ZINC000676214550 484795672 /nfs/dbraw/zinc/79/56/72/484795672.db2.gz SUYZBNVDNBHTRF-CQSZACIVSA-N -1 0 373.365 -0.630 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2F)CCO1 ZINC000676214552 484795770 /nfs/dbraw/zinc/79/57/70/484795770.db2.gz SVKZRQVIISKKAM-LLVKDONJSA-N -1 0 360.363 -0.194 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2F)CCO1 ZINC000676214558 484795754 /nfs/dbraw/zinc/79/57/54/484795754.db2.gz SVKZRQVIISKKAM-NSHDSACASA-N -1 0 360.363 -0.194 20 0 FBADRM CS(=O)(=O)NCCc1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000676215292 484795347 /nfs/dbraw/zinc/79/53/47/484795347.db2.gz OBAZFSWERMMGSU-CYBMUJFWSA-N -1 0 356.400 -0.296 20 0 FBADRM CS(=O)(=O)NCCc1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000676215297 484795008 /nfs/dbraw/zinc/79/50/08/484795008.db2.gz OBAZFSWERMMGSU-ZDUSSCGKSA-N -1 0 356.400 -0.296 20 0 FBADRM CS(=O)(=O)c1nc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c2ccccn21 ZINC000676215304 484795514 /nfs/dbraw/zinc/79/55/14/484795514.db2.gz OFSYMLRHQGJLNF-JTQLQIEISA-N -1 0 353.356 -0.337 20 0 FBADRM CS(=O)(=O)c1nc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c2ccccn21 ZINC000676215319 484794921 /nfs/dbraw/zinc/79/49/21/484794921.db2.gz OFSYMLRHQGJLNF-SNVBAGLBSA-N -1 0 353.356 -0.337 20 0 FBADRM C[C@H](C(=O)[O-])N(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000676215483 484795206 /nfs/dbraw/zinc/79/52/06/484795206.db2.gz MSJCVCAOGWTJJR-SNVBAGLBSA-N -1 0 359.404 -0.409 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CCO1 ZINC000676215855 484795194 /nfs/dbraw/zinc/79/51/94/484795194.db2.gz ZYRJOMUDVJQGOQ-CYBMUJFWSA-N -1 0 370.383 -0.693 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CCO1 ZINC000676215860 484795687 /nfs/dbraw/zinc/79/56/87/484795687.db2.gz ZYRJOMUDVJQGOQ-ZDUSSCGKSA-N -1 0 370.383 -0.693 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CNC(=O)c2cnc3ccccc3c2O)CCO1 ZINC000676216526 484794947 /nfs/dbraw/zinc/79/49/47/484794947.db2.gz USGYUYVNWXGJFT-CYBMUJFWSA-N -1 0 359.338 -0.430 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CNC(=O)c2cnc3ccccc3c2O)CCO1 ZINC000676216528 484795531 /nfs/dbraw/zinc/79/55/31/484795531.db2.gz USGYUYVNWXGJFT-ZDUSSCGKSA-N -1 0 359.338 -0.430 20 0 FBADRM CC(C)C[C@H](NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000676217160 484795367 /nfs/dbraw/zinc/79/53/67/484795367.db2.gz VZFZWMTVXAIRGP-JTQLQIEISA-N -1 0 350.375 -0.195 20 0 FBADRM CC(C)C[C@@H](NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000676217647 484795651 /nfs/dbraw/zinc/79/56/51/484795651.db2.gz VZFZWMTVXAIRGP-SNVBAGLBSA-N -1 0 350.375 -0.195 20 0 FBADRM CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C(=O)[O-] ZINC000676218979 484794896 /nfs/dbraw/zinc/79/48/96/484794896.db2.gz VQRWZNNGOMSUSR-LLVKDONJSA-N -1 0 359.404 -0.361 20 0 FBADRM COCCN(CC(=O)[O-])CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000676229628 484795305 /nfs/dbraw/zinc/79/53/05/484795305.db2.gz CDWBEGHLUSOXCX-UHFFFAOYSA-N -1 0 373.431 -0.092 20 0 FBADRM COCCN(CC(=O)[O-])CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000676229930 484795517 /nfs/dbraw/zinc/79/55/17/484795517.db2.gz NEZIMVGHKSRWDG-CYBMUJFWSA-N -1 0 364.464 -0.309 20 0 FBADRM COCCN(CC(=O)[O-])CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000676229932 484795382 /nfs/dbraw/zinc/79/53/82/484795382.db2.gz NEZIMVGHKSRWDG-ZDUSSCGKSA-N -1 0 364.464 -0.309 20 0 FBADRM COCCN(CC(=O)[O-])CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000676229955 484795714 /nfs/dbraw/zinc/79/57/14/484795714.db2.gz DRLWOHLHWFZXLZ-UHFFFAOYSA-N -1 0 372.466 -0.922 20 0 FBADRM COCCN(CC(=O)[O-])CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000676230220 484795562 /nfs/dbraw/zinc/79/55/62/484795562.db2.gz XUGQIXYTGMBRDZ-UHFFFAOYSA-N -1 0 352.326 -0.227 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CN(CCOC)CC(=O)[O-])ccc1C ZINC000676230297 484795259 /nfs/dbraw/zinc/79/52/59/484795259.db2.gz WXNOIKMOJPDCDV-UHFFFAOYSA-N -1 0 373.431 -0.125 20 0 FBADRM COCCN(CC(=O)[O-])CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000676230674 484795066 /nfs/dbraw/zinc/79/50/66/484795066.db2.gz RHQOABIRQOFFTF-UHFFFAOYSA-N -1 0 353.375 -0.403 20 0 FBADRM C[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@H]1CN(C)CCO1 ZINC000676237992 484796652 /nfs/dbraw/zinc/79/66/52/484796652.db2.gz SEKRHWWRGHVISG-GZMMTYOYSA-N -1 0 369.403 -0.567 20 0 FBADRM C[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@@H]1CN(C)CCO1 ZINC000676238002 484797662 /nfs/dbraw/zinc/79/76/62/484797662.db2.gz SEKRHWWRGHVISG-KCJUWKMLSA-N -1 0 369.403 -0.567 20 0 FBADRM C[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@@H]1CN(C)CCO1 ZINC000676238004 484797183 /nfs/dbraw/zinc/79/71/83/484797183.db2.gz SEKRHWWRGHVISG-KWQFWETISA-N -1 0 369.403 -0.567 20 0 FBADRM C[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@H]1CN(C)CCO1 ZINC000676238005 484796612 /nfs/dbraw/zinc/79/66/12/484796612.db2.gz SEKRHWWRGHVISG-LDYMZIIASA-N -1 0 369.403 -0.567 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000676328092 484806253 /nfs/dbraw/zinc/80/62/53/484806253.db2.gz UMGZQGMQEBXWJM-UHFFFAOYSA-N -1 0 370.387 -0.076 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000676334473 484806604 /nfs/dbraw/zinc/80/66/04/484806604.db2.gz XHXMULPDSWVJCM-UHFFFAOYSA-N -1 0 371.415 -0.096 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCc2nnn[n-]2)c1 ZINC000676377626 484808536 /nfs/dbraw/zinc/80/85/36/484808536.db2.gz DALZPYHGYDTIDV-UHFFFAOYSA-N -1 0 352.376 -0.613 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000676396244 484809273 /nfs/dbraw/zinc/80/92/73/484809273.db2.gz IZCYRGYLBLEDSF-SECBINFHSA-N -1 0 357.326 -0.353 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000676396248 484809185 /nfs/dbraw/zinc/80/91/85/484809185.db2.gz IZCYRGYLBLEDSF-VIFPVBQESA-N -1 0 357.326 -0.353 20 0 FBADRM COC[C@@H](O)CNC(=O)c1cc([N-]S(C)(=O)=O)c(OC)c(OC)c1 ZINC000676534562 484814447 /nfs/dbraw/zinc/81/44/47/484814447.db2.gz WBBFCIFRGBBPDT-JTQLQIEISA-N -1 0 362.404 -0.188 20 0 FBADRM O=C1NCCN1CCN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000676549010 484816120 /nfs/dbraw/zinc/81/61/20/484816120.db2.gz OOOFJQCOJPOJNJ-UHFFFAOYSA-N -1 0 373.401 -0.538 20 0 FBADRM COC1(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCOCC1 ZINC000676563149 484817129 /nfs/dbraw/zinc/81/71/29/484817129.db2.gz LLMXCXBVJXYWQG-UHFFFAOYSA-N -1 0 370.387 -0.090 20 0 FBADRM Cc1n[nH]c(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1[O-] ZINC000676631389 484817849 /nfs/dbraw/zinc/81/78/49/484817849.db2.gz WFLDXTHKJOCHBT-UHFFFAOYSA-N -1 0 359.390 -0.318 20 0 FBADRM COc1ccccc1NC(=O)CN1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC000676763006 484822388 /nfs/dbraw/zinc/82/23/88/484822388.db2.gz HQQUKGWTYUVMIL-UHFFFAOYSA-N -1 0 360.374 -0.085 20 0 FBADRM Cn1c(=O)c2cc(C(=O)N3CCC[C@@H](c4nnn[n-]4)C3)cnc2n(C)c1=O ZINC000677047533 484827270 /nfs/dbraw/zinc/82/72/70/484827270.db2.gz AGBXBLXYYNKIHT-SECBINFHSA-N -1 0 370.373 -0.835 20 0 FBADRM Cn1c(=O)c2cc(C(=O)N3CCC[C@H](c4nnn[n-]4)C3)cnc2n(C)c1=O ZINC000677047534 484827510 /nfs/dbraw/zinc/82/75/10/484827510.db2.gz AGBXBLXYYNKIHT-VIFPVBQESA-N -1 0 370.373 -0.835 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N3CCC[C@@H](c4nnn[n-]4)C3)nc2n(C)c1=O ZINC000677047743 484826976 /nfs/dbraw/zinc/82/69/76/484826976.db2.gz IENYYLDEPNSFEX-SECBINFHSA-N -1 0 370.373 -0.835 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N3CCC[C@H](c4nnn[n-]4)C3)nc2n(C)c1=O ZINC000677047744 484826997 /nfs/dbraw/zinc/82/69/97/484826997.db2.gz IENYYLDEPNSFEX-VIFPVBQESA-N -1 0 370.373 -0.835 20 0 FBADRM Cc1ccc(Cn2cccc(NC(=O)C(=O)NCc3nn[n-]n3)c2=O)cc1 ZINC000677209583 484831584 /nfs/dbraw/zinc/83/15/84/484831584.db2.gz CCAMWLCAHLQYRR-UHFFFAOYSA-N -1 0 367.369 -0.027 20 0 FBADRM CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000677317813 484834078 /nfs/dbraw/zinc/83/40/78/484834078.db2.gz IYHVAYNWBYTNSP-JTQLQIEISA-N -1 0 369.403 -0.125 20 0 FBADRM C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1n[nH]c(=O)[n-]1)C2=O ZINC000677435645 484836128 /nfs/dbraw/zinc/83/61/28/484836128.db2.gz OOQMKMDBOUULDY-IEVQFXQGSA-N -1 0 350.379 -0.127 20 0 FBADRM C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NCc1n[nH]c(=O)[n-]1)C2=O ZINC000677435646 484836170 /nfs/dbraw/zinc/83/61/70/484836170.db2.gz OOQMKMDBOUULDY-IUCAKERBSA-N -1 0 350.379 -0.127 20 0 FBADRM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NCc1n[nH]c(=O)[n-]1)C2=O ZINC000677435647 484835993 /nfs/dbraw/zinc/83/59/93/484835993.db2.gz OOQMKMDBOUULDY-RKDXNWHRSA-N -1 0 350.379 -0.127 20 0 FBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N(CCO)CCN1CCOCC1 ZINC000677442877 484836679 /nfs/dbraw/zinc/83/66/79/484836679.db2.gz JCMZRCKUSIYQGP-UHFFFAOYSA-N -1 0 363.374 -0.797 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000677643888 484842975 /nfs/dbraw/zinc/84/29/75/484842975.db2.gz WDCVBTQZERQSMX-AWEZNQCLSA-N -1 0 356.400 -0.161 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000677643889 484843157 /nfs/dbraw/zinc/84/31/57/484843157.db2.gz WDCVBTQZERQSMX-CQSZACIVSA-N -1 0 356.400 -0.161 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)n[nH]2)cc1 ZINC000677644923 484842488 /nfs/dbraw/zinc/84/24/88/484842488.db2.gz LTEWNRFHNBSBOI-UHFFFAOYSA-N -1 0 373.416 -0.440 20 0 FBADRM COc1ccc(CNC(C)=O)cc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000677645136 484842682 /nfs/dbraw/zinc/84/26/82/484842682.db2.gz KELHFCQPXGCDHT-CYBMUJFWSA-N -1 0 372.399 -0.195 20 0 FBADRM COc1ccc(CNC(C)=O)cc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000677645137 484843029 /nfs/dbraw/zinc/84/30/29/484843029.db2.gz KELHFCQPXGCDHT-ZDUSSCGKSA-N -1 0 372.399 -0.195 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CCO1 ZINC000677645244 484842830 /nfs/dbraw/zinc/84/28/30/484842830.db2.gz ONWXJLFSGUQXPY-LLVKDONJSA-N -1 0 361.397 -0.510 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CCO1 ZINC000677645245 484843035 /nfs/dbraw/zinc/84/30/35/484843035.db2.gz ONWXJLFSGUQXPY-NSHDSACASA-N -1 0 361.397 -0.510 20 0 FBADRM COc1ccc(Cn2nccc2NC(=O)C(=O)NCc2nnn[n-]2)cc1 ZINC000677785451 484844553 /nfs/dbraw/zinc/84/45/53/484844553.db2.gz LJZQNNPQSAMLSL-UHFFFAOYSA-N -1 0 356.346 -0.292 20 0 FBADRM COc1cccc(-c2cc(NC(=O)C(=O)NCc3nnn[n-]3)n(C)n2)c1 ZINC000677834713 484845961 /nfs/dbraw/zinc/84/59/61/484845961.db2.gz PQNLNSMFSSWGRL-UHFFFAOYSA-N -1 0 356.346 -0.136 20 0 FBADRM NC(=O)c1cnn2c1nccc2C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000677868558 484847255 /nfs/dbraw/zinc/84/72/55/484847255.db2.gz IMADLZXBBHXEOW-GFCCVEGCSA-N -1 0 363.341 -0.139 20 0 FBADRM NC(=O)c1cnn2c1nccc2C(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000677868564 484847237 /nfs/dbraw/zinc/84/72/37/484847237.db2.gz IMADLZXBBHXEOW-LBPRGKRZSA-N -1 0 363.341 -0.139 20 0 FBADRM NS(=O)(=O)c1ccc(OCC(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc1 ZINC000677927433 484850128 /nfs/dbraw/zinc/85/01/28/484850128.db2.gz PZGRHXVXBRDQAU-JTQLQIEISA-N -1 0 366.403 -0.368 20 0 FBADRM NS(=O)(=O)c1ccc(OCC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc1 ZINC000677927434 484850247 /nfs/dbraw/zinc/85/02/47/484850247.db2.gz PZGRHXVXBRDQAU-SNVBAGLBSA-N -1 0 366.403 -0.368 20 0 FBADRM O=C(CCNS(=O)(=O)c1cccnc1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000677927478 484850546 /nfs/dbraw/zinc/85/05/46/484850546.db2.gz QTAFSHDANJDBET-LLVKDONJSA-N -1 0 365.419 -0.331 20 0 FBADRM O=C(CCNS(=O)(=O)c1cccnc1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000677927484 484850453 /nfs/dbraw/zinc/85/04/53/484850453.db2.gz QTAFSHDANJDBET-NSHDSACASA-N -1 0 365.419 -0.331 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000677928259 484850177 /nfs/dbraw/zinc/85/01/77/484850177.db2.gz VOTRLPMUHTZBNS-NXEZZACHSA-N -1 0 368.423 -0.994 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000677928260 484850745 /nfs/dbraw/zinc/85/07/45/484850745.db2.gz VOTRLPMUHTZBNS-UWVGGRQHSA-N -1 0 368.423 -0.994 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000677928261 484850111 /nfs/dbraw/zinc/85/01/11/484850111.db2.gz VOTRLPMUHTZBNS-VHSXEESVSA-N -1 0 368.423 -0.994 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000677928262 484850320 /nfs/dbraw/zinc/85/03/20/484850320.db2.gz VOTRLPMUHTZBNS-ZJUUUORDSA-N -1 0 368.423 -0.994 20 0 FBADRM O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC000677947979 484850331 /nfs/dbraw/zinc/85/03/31/484850331.db2.gz GENJIKCWMKNNKZ-UHFFFAOYSA-N -1 0 362.365 -0.026 20 0 FBADRM O=C(NCCS(=O)(=O)NCc1ccccc1)c1n[nH]c(=O)[n-]c1=O ZINC000677948357 484850537 /nfs/dbraw/zinc/85/05/37/484850537.db2.gz QDHUEXIIJKBCDF-UHFFFAOYSA-N -1 0 353.360 -0.868 20 0 FBADRM O=C(CN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1)N1CCCCCC1 ZINC000677948486 484850664 /nfs/dbraw/zinc/85/06/64/484850664.db2.gz YJIHTRBAHSRVHT-UHFFFAOYSA-N -1 0 364.406 -0.557 20 0 FBADRM O=C(Cc1ccccc1F)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000677948684 484850737 /nfs/dbraw/zinc/85/07/37/484850737.db2.gz BBYKQGDNENFBHA-UHFFFAOYSA-N -1 0 361.333 -0.051 20 0 FBADRM O=C(CNC(=O)c1n[nH]c(=O)[n-]c1=O)N1CCN(c2ccccc2)CC1 ZINC000677948753 484850781 /nfs/dbraw/zinc/85/07/81/484850781.db2.gz FUGHEDZKDUBDNQ-UHFFFAOYSA-N -1 0 358.358 -0.639 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1 ZINC000677948788 484850429 /nfs/dbraw/zinc/85/04/29/484850429.db2.gz BPWKPQYVWCSIQQ-UHFFFAOYSA-N -1 0 353.360 -0.700 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000677948976 484850236 /nfs/dbraw/zinc/85/02/36/484850236.db2.gz GKKYJWMLNBTLAO-UHFFFAOYSA-N -1 0 353.360 -0.537 20 0 FBADRM O=C(CN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1)Nc1ccccc1 ZINC000677948988 484850037 /nfs/dbraw/zinc/85/00/37/484850037.db2.gz HRRHTISZGGSKFZ-UHFFFAOYSA-N -1 0 358.358 -0.321 20 0 FBADRM O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)c1n[nH]c(=O)[n-]c1=O ZINC000677949086 484850705 /nfs/dbraw/zinc/85/07/05/484850705.db2.gz NBCQZEZRDABZFL-UHFFFAOYSA-N -1 0 373.778 -0.356 20 0 FBADRM C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000677949279 484850191 /nfs/dbraw/zinc/85/01/91/484850191.db2.gz LMQGAVBAPYMUJF-LLVKDONJSA-N -1 0 364.406 -0.558 20 0 FBADRM C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000677949280 484850490 /nfs/dbraw/zinc/85/04/90/484850490.db2.gz LMQGAVBAPYMUJF-NSHDSACASA-N -1 0 364.406 -0.558 20 0 FBADRM O=C(CN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1)NCc1ccccc1 ZINC000677949347 484850362 /nfs/dbraw/zinc/85/03/62/484850362.db2.gz PQACUMAENVTOAK-UHFFFAOYSA-N -1 0 372.385 -0.643 20 0 FBADRM COc1ccc(C(=O)N2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)cc1 ZINC000677949356 484850591 /nfs/dbraw/zinc/85/05/91/484850591.db2.gz QMVQFBNSKSSLDU-UHFFFAOYSA-N -1 0 359.342 -0.110 20 0 FBADRM COc1cccc(C(=O)N2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)c1 ZINC000677949610 484850777 /nfs/dbraw/zinc/85/07/77/484850777.db2.gz ULOVCIXFXIUNGB-UHFFFAOYSA-N -1 0 359.342 -0.110 20 0 FBADRM CN1CCN(C(=O)Cc2cccc(NC(=O)c3n[nH]c(=O)[n-]c3=O)c2)CC1 ZINC000677950494 484850302 /nfs/dbraw/zinc/85/03/02/484850302.db2.gz WKQQQWSIELFGJU-UHFFFAOYSA-N -1 0 372.385 -0.148 20 0 FBADRM CC(C)(C)c1nc(CN2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)no1 ZINC000677951028 484850023 /nfs/dbraw/zinc/85/00/23/484850023.db2.gz JIPQMWIEZXIXLO-UHFFFAOYSA-N -1 0 363.378 -0.079 20 0 FBADRM C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000677951303 484850216 /nfs/dbraw/zinc/85/02/16/484850216.db2.gz MRKDPKLROQESET-LLVKDONJSA-N -1 0 359.390 -0.382 20 0 FBADRM C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000677951304 484850407 /nfs/dbraw/zinc/85/04/07/484850407.db2.gz MRKDPKLROQESET-NSHDSACASA-N -1 0 359.390 -0.382 20 0 FBADRM O=C(CN1[N-]S(=O)(=O)c2ccccc2C1=O)N1CCOC[C@@H]1C1CC1 ZINC000677952348 484850070 /nfs/dbraw/zinc/85/00/70/484850070.db2.gz REMMIVLOHHPZFN-CYBMUJFWSA-N -1 0 365.411 -0.027 20 0 FBADRM O=C(CN1[N-]S(=O)(=O)c2ccccc2C1=O)N1CCOC[C@H]1C1CC1 ZINC000677952349 484850368 /nfs/dbraw/zinc/85/03/68/484850368.db2.gz REMMIVLOHHPZFN-ZDUSSCGKSA-N -1 0 365.411 -0.027 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ncn(CC(=O)NC)n1 ZINC000678030195 484854576 /nfs/dbraw/zinc/85/45/76/484854576.db2.gz BRIJWUKJKDTTAE-UHFFFAOYSA-N -1 0 355.424 -0.317 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000678063254 484854102 /nfs/dbraw/zinc/85/41/02/484854102.db2.gz UOVOQJMYMCMGRE-SSDOTTSWSA-N -1 0 357.417 -0.627 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000678063257 484854747 /nfs/dbraw/zinc/85/47/47/484854747.db2.gz UOVOQJMYMCMGRE-ZETCQYMHSA-N -1 0 357.417 -0.627 20 0 FBADRM CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NCc3nnn[n-]3)c2)CC1 ZINC000678112325 484857274 /nfs/dbraw/zinc/85/72/74/484857274.db2.gz AKOKXKFGLLNLHZ-UHFFFAOYSA-N -1 0 372.433 -0.015 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)NCc1cccc(C(=O)[O-])c1)c(=O)n2C ZINC000678931074 484874527 /nfs/dbraw/zinc/87/45/27/484874527.db2.gz DDDOEDUMBRBMFT-UHFFFAOYSA-N -1 0 371.353 -0.552 20 0 FBADRM Cn1c2ncn(CC(=O)NCc3cccc(C(=O)[O-])c3)c2c(=O)n(C)c1=O ZINC000678932567 484874025 /nfs/dbraw/zinc/87/40/25/484874025.db2.gz KVZPXOJDODITGV-UHFFFAOYSA-N -1 0 371.353 -0.552 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000678932618 484874344 /nfs/dbraw/zinc/87/43/44/484874344.db2.gz LWYLJOMCSYEFJY-UHFFFAOYSA-N -1 0 352.372 -0.065 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000678933102 484874310 /nfs/dbraw/zinc/87/43/10/484874310.db2.gz USCKMWGXVKDHNM-UHFFFAOYSA-N -1 0 352.372 -0.287 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)NCc2cccc(C(=O)[O-])c2)cn1 ZINC000678933945 484873962 /nfs/dbraw/zinc/87/39/62/484873962.db2.gz WVVQDXJXMWLJQV-UHFFFAOYSA-N -1 0 352.372 -0.287 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000678973863 484875179 /nfs/dbraw/zinc/87/51/79/484875179.db2.gz MWEVEQYOVIQFHX-UHFFFAOYSA-N -1 0 351.406 -0.335 20 0 FBADRM O=C([O-])CN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)C1CC1 ZINC000678976263 484875198 /nfs/dbraw/zinc/87/51/98/484875198.db2.gz GXEAEEOAPBGFTF-UHFFFAOYSA-N -1 0 358.372 -0.010 20 0 FBADRM CCN(CCC(=O)[O-])C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000678976318 484874931 /nfs/dbraw/zinc/87/49/31/484874931.db2.gz WRTDXRNJZDAUCW-UHFFFAOYSA-N -1 0 373.431 -0.017 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(CC(=O)[O-])C1CC1 ZINC000678977244 484874823 /nfs/dbraw/zinc/87/48/23/484874823.db2.gz RAGWXUURWYQCPE-UHFFFAOYSA-N -1 0 371.415 -0.265 20 0 FBADRM CCCN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000678977989 484875226 /nfs/dbraw/zinc/87/52/26/484875226.db2.gz RUVNGAQVJWQCNB-UHFFFAOYSA-N -1 0 373.431 -0.017 20 0 FBADRM CCN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000678978001 484875040 /nfs/dbraw/zinc/87/50/40/484875040.db2.gz SGQWRHLXJRULSN-UHFFFAOYSA-N -1 0 359.404 -0.407 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21 ZINC000678978483 484875032 /nfs/dbraw/zinc/87/50/32/484875032.db2.gz HMRYAMDLVOAYRB-INIZCTEOSA-N -1 0 370.427 -0.015 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000678978484 484875010 /nfs/dbraw/zinc/87/50/10/484875010.db2.gz HMRYAMDLVOAYRB-MRXNPFEDSA-N -1 0 370.427 -0.015 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000678979751 484875424 /nfs/dbraw/zinc/87/54/24/484875424.db2.gz ULFVPUWJRMKVRR-CYBMUJFWSA-N -1 0 371.415 -0.361 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000678979752 484875575 /nfs/dbraw/zinc/87/55/75/484875575.db2.gz ULFVPUWJRMKVRR-ZDUSSCGKSA-N -1 0 371.415 -0.361 20 0 FBADRM O=C([O-])CC1(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)CCOCC1 ZINC000678979767 484875619 /nfs/dbraw/zinc/87/56/19/484875619.db2.gz UYGZKWRADZUOCT-UHFFFAOYSA-N -1 0 353.375 -0.009 20 0 FBADRM O=C([O-])[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)C1CC1 ZINC000678980102 484875435 /nfs/dbraw/zinc/87/54/35/484875435.db2.gz ZEGDEFKSCROCJV-GFCCVEGCSA-N -1 0 358.372 -0.107 20 0 FBADRM O=C([O-])[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)C1CC1 ZINC000678980104 484874741 /nfs/dbraw/zinc/87/47/41/484874741.db2.gz ZEGDEFKSCROCJV-LBPRGKRZSA-N -1 0 358.372 -0.107 20 0 FBADRM C[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C(=O)[O-] ZINC000678981999 484876361 /nfs/dbraw/zinc/87/63/61/484876361.db2.gz MFWBQFUVWSPTNZ-JTQLQIEISA-N -1 0 359.404 -0.504 20 0 FBADRM C[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C(=O)[O-] ZINC000678982001 484876426 /nfs/dbraw/zinc/87/64/26/484876426.db2.gz MFWBQFUVWSPTNZ-SNVBAGLBSA-N -1 0 359.404 -0.504 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC(C)(C)C(=O)[O-] ZINC000678982099 484876694 /nfs/dbraw/zinc/87/66/94/484876694.db2.gz CRRUVSNYTCUGKE-UHFFFAOYSA-N -1 0 373.431 -0.113 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1(C(=O)[O-])CCC1 ZINC000678984711 484876454 /nfs/dbraw/zinc/87/64/54/484876454.db2.gz FNYDBZMEPUUTSL-UHFFFAOYSA-N -1 0 371.415 -0.217 20 0 FBADRM O=C([O-])[C@]1(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CCOC1 ZINC000678990748 484876561 /nfs/dbraw/zinc/87/65/61/484876561.db2.gz XHUFKVLIOMGKIX-AWEZNQCLSA-N -1 0 374.371 -0.726 20 0 FBADRM O=C([O-])[C@@]1(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CCOC1 ZINC000678990758 484876494 /nfs/dbraw/zinc/87/64/94/484876494.db2.gz XHUFKVLIOMGKIX-CQSZACIVSA-N -1 0 374.371 -0.726 20 0 FBADRM O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000678994042 484876881 /nfs/dbraw/zinc/87/68/81/484876881.db2.gz FMIVHCMTNMGEMI-JTQLQIEISA-N -1 0 359.342 -0.308 20 0 FBADRM O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000678994045 484876264 /nfs/dbraw/zinc/87/62/64/484876264.db2.gz FMIVHCMTNMGEMI-SNVBAGLBSA-N -1 0 359.342 -0.308 20 0 FBADRM COc1ccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(OC)n1 ZINC000678999731 484876095 /nfs/dbraw/zinc/87/60/95/484876095.db2.gz TUDLBODLURMVJW-UHFFFAOYSA-N -1 0 356.360 -0.703 20 0 FBADRM Cc1c([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n[nH]c1C(F)(F)F ZINC000679001491 484876736 /nfs/dbraw/zinc/87/67/36/484876736.db2.gz SXDNCIXMNOUCLY-UHFFFAOYSA-N -1 0 367.309 -0.065 20 0 FBADRM C[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)CC(=O)[O-] ZINC000679102004 484876943 /nfs/dbraw/zinc/87/69/43/484876943.db2.gz RGTRTTOZAGSNOC-LLVKDONJSA-N -1 0 373.431 -0.113 20 0 FBADRM C[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)CC(=O)[O-] ZINC000679102005 484876807 /nfs/dbraw/zinc/87/68/07/484876807.db2.gz RGTRTTOZAGSNOC-NSHDSACASA-N -1 0 373.431 -0.113 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)n[nH]2)cc1F ZINC000679202310 484877710 /nfs/dbraw/zinc/87/77/10/484877710.db2.gz FHJALFGSWAURRR-UHFFFAOYSA-N -1 0 362.364 -0.148 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(N)=O)n[nH]2)c1 ZINC000679202618 484878325 /nfs/dbraw/zinc/87/83/25/484878325.db2.gz NALLJMUVOHMVHB-UHFFFAOYSA-N -1 0 359.389 -0.783 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)n[nH]2)cc1 ZINC000679202624 484879437 /nfs/dbraw/zinc/87/94/37/484879437.db2.gz NCHCNYXZFQHPAV-UHFFFAOYSA-N -1 0 359.389 -0.783 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)n[nH]2)cc1 ZINC000679203244 484879287 /nfs/dbraw/zinc/87/92/87/484879287.db2.gz YSAKKCZXCIKNRP-UHFFFAOYSA-N -1 0 351.388 -0.012 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]c3cc(C(N)=O)n[nH]3)cc2n(C)c1=O ZINC000679203249 484879384 /nfs/dbraw/zinc/87/93/84/484879384.db2.gz YZKUAJMWJALMHL-UHFFFAOYSA-N -1 0 350.360 -0.500 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(N)=O)n[nH]2)c1 ZINC000679204333 484879364 /nfs/dbraw/zinc/87/93/64/484879364.db2.gz DFKXCUKOKFLHFE-UHFFFAOYSA-N -1 0 373.416 -0.440 20 0 FBADRM O=C(Cn1nc2ccccn2c1=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000679369568 484881794 /nfs/dbraw/zinc/88/17/94/484881794.db2.gz GYPLMRXBWBYYHP-AWEZNQCLSA-N -1 0 350.342 -0.085 20 0 FBADRM O=C(Cn1nc2ccccn2c1=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000679369569 484881499 /nfs/dbraw/zinc/88/14/99/484881499.db2.gz GYPLMRXBWBYYHP-CQSZACIVSA-N -1 0 350.342 -0.085 20 0 FBADRM Cc1nc(CNC(=O)c2cn(CC(=O)N(C)C)nn2)sc1C(=O)[O-] ZINC000679399289 484881806 /nfs/dbraw/zinc/88/18/06/484881806.db2.gz UOXQBGQJRAVFKW-UHFFFAOYSA-N -1 0 352.376 -0.241 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)NCc1nc(C)c(C(=O)[O-])s1 ZINC000679401644 484881725 /nfs/dbraw/zinc/88/17/25/484881725.db2.gz QDMHOHXZQVZVGK-UHFFFAOYSA-N -1 0 365.433 -0.278 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1[O-] ZINC000679414259 484883065 /nfs/dbraw/zinc/88/30/65/484883065.db2.gz PZIVLYCYVBHOQZ-LLVKDONJSA-N -1 0 358.420 -0.310 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1[O-] ZINC000679414567 484882862 /nfs/dbraw/zinc/88/28/62/484882862.db2.gz PZIVLYCYVBHOQZ-NSHDSACASA-N -1 0 358.420 -0.310 20 0 FBADRM CN(CC(=O)[O-])C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000679538594 484886081 /nfs/dbraw/zinc/88/60/81/484886081.db2.gz IQJJHWNWLONWKB-UHFFFAOYSA-N -1 0 371.415 -0.067 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)N(CCOC)CC(=O)[O-])s1 ZINC000679542215 484886137 /nfs/dbraw/zinc/88/61/37/484886137.db2.gz ZKPBKOXVPTYUEH-UHFFFAOYSA-N -1 0 365.433 -0.101 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000679545966 484885547 /nfs/dbraw/zinc/88/55/47/484885547.db2.gz RGQCVCJHMJWWOA-GFCCVEGCSA-N -1 0 357.388 -0.410 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000679545968 484886035 /nfs/dbraw/zinc/88/60/35/484886035.db2.gz RGQCVCJHMJWWOA-LBPRGKRZSA-N -1 0 357.388 -0.410 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)N(CCOC)CC(=O)[O-])cc1 ZINC000679549015 484885251 /nfs/dbraw/zinc/88/52/51/484885251.db2.gz CXIGAFYSDXVWLG-UHFFFAOYSA-N -1 0 373.431 -0.022 20 0 FBADRM CN(CC(=O)[O-])C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000679564897 484885393 /nfs/dbraw/zinc/88/53/93/484885393.db2.gz VHKFVKLNFBOOAB-UHFFFAOYSA-N -1 0 359.408 -0.701 20 0 FBADRM COCCn1cc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])ccc1=O ZINC000679654755 484888410 /nfs/dbraw/zinc/88/84/10/484888410.db2.gz IZVWHLQZDBGQCC-LLVKDONJSA-N -1 0 353.375 -0.454 20 0 FBADRM COCCn1cc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])ccc1=O ZINC000679654756 484888613 /nfs/dbraw/zinc/88/86/13/484888613.db2.gz IZVWHLQZDBGQCC-NSHDSACASA-N -1 0 353.375 -0.454 20 0 FBADRM CC(=O)NCCN(C(=O)c1ccc(S(N)(=O)=O)c(C)c1)[C@@H](C)C(=O)[O-] ZINC000679654850 484887954 /nfs/dbraw/zinc/88/79/54/484887954.db2.gz KXRKEPRCBRJQML-JTQLQIEISA-N -1 0 371.415 -0.306 20 0 FBADRM CC(=O)NCCN(C(=O)c1ccc(S(N)(=O)=O)c(C)c1)[C@H](C)C(=O)[O-] ZINC000679654855 484888540 /nfs/dbraw/zinc/88/85/40/484888540.db2.gz KXRKEPRCBRJQML-SNVBAGLBSA-N -1 0 371.415 -0.306 20 0 FBADRM CC(=O)NCCN(C(=O)c1ccc(C)c(S(N)(=O)=O)c1)[C@@H](C)C(=O)[O-] ZINC000679654870 484887829 /nfs/dbraw/zinc/88/78/29/484887829.db2.gz LGWZMKSQRAIQOX-JTQLQIEISA-N -1 0 371.415 -0.306 20 0 FBADRM CC(=O)NCCN(C(=O)c1ccc(C)c(S(N)(=O)=O)c1)[C@H](C)C(=O)[O-] ZINC000679654871 484887901 /nfs/dbraw/zinc/88/79/01/484887901.db2.gz LGWZMKSQRAIQOX-SNVBAGLBSA-N -1 0 371.415 -0.306 20 0 FBADRM CC(=O)NCCN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@H](C)C(=O)[O-] ZINC000679654941 484888583 /nfs/dbraw/zinc/88/85/83/484888583.db2.gz MMCNTEVYGGFSED-SECBINFHSA-N -1 0 351.425 -0.858 20 0 FBADRM CC(=O)NCCN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@@H](C)C(=O)[O-] ZINC000679654942 484887849 /nfs/dbraw/zinc/88/78/49/484887849.db2.gz MMCNTEVYGGFSED-VIFPVBQESA-N -1 0 351.425 -0.858 20 0 FBADRM CC(=O)NCCN(C(=O)c1cc(S(N)(=O)=O)ccc1C)[C@@H](C)C(=O)[O-] ZINC000679655090 484887925 /nfs/dbraw/zinc/88/79/25/484887925.db2.gz OIAZEPYRBRWSAN-JTQLQIEISA-N -1 0 371.415 -0.306 20 0 FBADRM CC(=O)NCCN(C(=O)c1cc(S(N)(=O)=O)ccc1C)[C@H](C)C(=O)[O-] ZINC000679655092 484887718 /nfs/dbraw/zinc/88/77/18/484887718.db2.gz OIAZEPYRBRWSAN-SNVBAGLBSA-N -1 0 371.415 -0.306 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000679823183 484892882 /nfs/dbraw/zinc/89/28/82/484892882.db2.gz UUCQGHGZFLNITH-JTQLQIEISA-N -1 0 371.419 -0.251 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000679823186 484893137 /nfs/dbraw/zinc/89/31/37/484893137.db2.gz UUCQGHGZFLNITH-SNVBAGLBSA-N -1 0 371.419 -0.251 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)c1 ZINC000679913619 484895884 /nfs/dbraw/zinc/89/58/84/484895884.db2.gz CLSDIQNTQDKXCX-UHFFFAOYSA-N -1 0 353.360 -0.537 20 0 FBADRM CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1F ZINC000679974829 484897098 /nfs/dbraw/zinc/89/70/98/484897098.db2.gz AVTNPOGELJRVRD-UHFFFAOYSA-N -1 0 374.340 -0.172 20 0 FBADRM CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC000680158048 484900596 /nfs/dbraw/zinc/90/05/96/484900596.db2.gz IMGWLXOAZFAPDV-UHFFFAOYSA-N -1 0 356.350 -0.311 20 0 FBADRM CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000680166417 484900556 /nfs/dbraw/zinc/90/05/56/484900556.db2.gz MWPMMDMBRIJFIL-UHFFFAOYSA-N -1 0 371.361 0.000 20 0 FBADRM O=C(c1c([O-])cc(F)cc1F)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC000680369383 484904323 /nfs/dbraw/zinc/90/43/23/484904323.db2.gz HSGUPUIMVHMUTP-UHFFFAOYSA-N -1 0 373.341 -0.065 20 0 FBADRM O=C(N[C@@H]1CNC(=O)C1)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000680455591 484907514 /nfs/dbraw/zinc/90/75/14/484907514.db2.gz IUGRFKYGRMNFGY-JTQLQIEISA-N -1 0 353.400 -0.205 20 0 FBADRM O=C(N[C@H]1CNC(=O)C1)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000680455592 484907256 /nfs/dbraw/zinc/90/72/56/484907256.db2.gz IUGRFKYGRMNFGY-SNVBAGLBSA-N -1 0 353.400 -0.205 20 0 FBADRM Cc1nc(=NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)n(C)[nH]1 ZINC000680503897 484908261 /nfs/dbraw/zinc/90/82/61/484908261.db2.gz PJWVAKJNROWTJL-UHFFFAOYSA-N -1 0 363.396 -0.143 20 0 FBADRM CN(C[C@H](O)CO)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000680595997 484911505 /nfs/dbraw/zinc/91/15/05/484911505.db2.gz KQFCVARCPCQYOZ-NSHDSACASA-N -1 0 358.416 -0.398 20 0 FBADRM CCS(=O)(=O)N1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000680652306 484912796 /nfs/dbraw/zinc/91/27/96/484912796.db2.gz QXTSZSYRBJMUDO-UHFFFAOYSA-N -1 0 351.406 -0.631 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)NCc2nnnn2C2CC2)cc1 ZINC000680654772 484913589 /nfs/dbraw/zinc/91/35/89/484913589.db2.gz GUZCICXWRHDZHG-UHFFFAOYSA-N -1 0 353.360 -0.050 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000680816111 484913314 /nfs/dbraw/zinc/91/33/14/484913314.db2.gz QUDFKNQMNBUSPU-UHFFFAOYSA-N -1 0 363.386 -0.023 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)cc1 ZINC000680837518 484914186 /nfs/dbraw/zinc/91/41/86/484914186.db2.gz NQDQNYCXZMTPOO-UHFFFAOYSA-N -1 0 359.389 -0.783 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)cc1 ZINC000680837569 484914128 /nfs/dbraw/zinc/91/41/28/484914128.db2.gz QYPLEQQEEQDESK-UHFFFAOYSA-N -1 0 373.416 -0.440 20 0 FBADRM O=C(NCc1nnn[n-]1)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 ZINC000680878806 484916519 /nfs/dbraw/zinc/91/65/19/484916519.db2.gz SFMMQMNDXSCSOC-KRWDZBQOSA-N -1 0 367.369 -0.043 20 0 FBADRM O=C(NCc1nnn[n-]1)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 ZINC000680878807 484916404 /nfs/dbraw/zinc/91/64/04/484916404.db2.gz SFMMQMNDXSCSOC-QGZVFWFLSA-N -1 0 367.369 -0.043 20 0 FBADRM O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1n[nH]c(=O)[n-]c1=O ZINC000680941095 484917996 /nfs/dbraw/zinc/91/79/96/484917996.db2.gz ZGLAUHUXKGPOOS-GFCCVEGCSA-N -1 0 373.369 -0.517 20 0 FBADRM O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1n[nH]c(=O)[n-]c1=O ZINC000680941096 484918096 /nfs/dbraw/zinc/91/80/96/484918096.db2.gz ZGLAUHUXKGPOOS-LBPRGKRZSA-N -1 0 373.369 -0.517 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCc2nnnn2C2CC2)c1 ZINC000681050224 484920479 /nfs/dbraw/zinc/92/04/79/484920479.db2.gz UEPZPGCCQJWVBP-UHFFFAOYSA-N -1 0 366.403 -0.106 20 0 FBADRM C[C@H]1CC(=O)NCCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000681051137 484920421 /nfs/dbraw/zinc/92/04/21/484920421.db2.gz TWMCZGDJGZYQHT-JTQLQIEISA-N -1 0 355.416 -0.007 20 0 FBADRM C[C@@H]1CC(=O)NCCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000681051139 484920667 /nfs/dbraw/zinc/92/06/67/484920667.db2.gz TWMCZGDJGZYQHT-SNVBAGLBSA-N -1 0 355.416 -0.007 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)Nc2cc(C(N)=O)[nH]n2)c1 ZINC000681056748 484920752 /nfs/dbraw/zinc/92/07/52/484920752.db2.gz DKPOCYZVHRSUPZ-UHFFFAOYSA-N -1 0 353.360 -0.283 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC2(C(N)=O)CCOCC2)c1 ZINC000681058616 484920140 /nfs/dbraw/zinc/92/01/40/484920140.db2.gz UAQQODASHVIYMJ-UHFFFAOYSA-N -1 0 371.415 -0.593 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2[C@@H]3CO[C@H]4[C@@H]3OC[C@H]42)c1 ZINC000681059302 484919968 /nfs/dbraw/zinc/91/99/68/484919968.db2.gz LTQZFGSBDMTJMG-HBJVGIJOSA-N -1 0 354.384 -0.367 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCCc2nnnn2C)c1 ZINC000681063653 484920636 /nfs/dbraw/zinc/92/06/36/484920636.db2.gz FEWVRWXCBGQCSN-UHFFFAOYSA-N -1 0 354.392 -0.862 20 0 FBADRM COc1cc(F)c(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c(F)c1 ZINC000681562883 484934889 /nfs/dbraw/zinc/93/48/89/484934889.db2.gz IXDJMRYFDVPRCN-VIFPVBQESA-N -1 0 352.315 -0.030 20 0 FBADRM COc1cc(F)c(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c(F)c1 ZINC000681564303 484934855 /nfs/dbraw/zinc/93/48/55/484934855.db2.gz IXDJMRYFDVPRCN-SECBINFHSA-N -1 0 352.315 -0.030 20 0 FBADRM CC[C@H](CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000681569885 484935062 /nfs/dbraw/zinc/93/50/62/484935062.db2.gz BABCHEGYJVQIJC-LLVKDONJSA-N -1 0 364.445 -0.005 20 0 FBADRM CC[C@@H](CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000681569894 484934509 /nfs/dbraw/zinc/93/45/09/484934509.db2.gz BABCHEGYJVQIJC-NSHDSACASA-N -1 0 364.445 -0.005 20 0 FBADRM CC[C@H](CNS(=O)(=O)c1cccc(S(=O)(=O)NC)c1)C(=O)[O-] ZINC000681571028 484934978 /nfs/dbraw/zinc/93/49/78/484934978.db2.gz KSLBGGKAKVJHSN-SECBINFHSA-N -1 0 350.418 -0.016 20 0 FBADRM CC[C@@H](CNS(=O)(=O)c1cccc(S(=O)(=O)NC)c1)C(=O)[O-] ZINC000681571030 484934996 /nfs/dbraw/zinc/93/49/96/484934996.db2.gz KSLBGGKAKVJHSN-VIFPVBQESA-N -1 0 350.418 -0.016 20 0 FBADRM CC(C)(CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)CC(=O)[O-] ZINC000681576677 484935137 /nfs/dbraw/zinc/93/51/37/484935137.db2.gz UGKHCPFEPOPYJK-UHFFFAOYSA-N -1 0 355.372 -0.004 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000681580540 484935175 /nfs/dbraw/zinc/93/51/75/484935175.db2.gz NQQMYHQVHBLUMH-JTQLQIEISA-N -1 0 372.447 -0.244 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000681580542 484934520 /nfs/dbraw/zinc/93/45/20/484934520.db2.gz NQQMYHQVHBLUMH-SNVBAGLBSA-N -1 0 372.447 -0.244 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000681580585 484935126 /nfs/dbraw/zinc/93/51/26/484935126.db2.gz YENINDGLWRRRAN-UHFFFAOYSA-N -1 0 356.408 -0.301 20 0 FBADRM Cc1noc2ncc(S(=O)(=O)NCc3cn(CC(=O)[O-])nn3)cc12 ZINC000681580627 484934488 /nfs/dbraw/zinc/93/44/88/484934488.db2.gz ZAGWDWJYHGBSAM-UHFFFAOYSA-N -1 0 352.332 -0.314 20 0 FBADRM Cc1noc2ncc(S(=O)(=O)NCCN3C[C@H](C(=O)[O-])CC3=O)cc12 ZINC000681580965 484935212 /nfs/dbraw/zinc/93/52/12/484935212.db2.gz UQXHFFBARJRRCD-SECBINFHSA-N -1 0 368.371 -0.257 20 0 FBADRM Cc1noc2ncc(S(=O)(=O)NCCN3C[C@@H](C(=O)[O-])CC3=O)cc12 ZINC000681580966 484934981 /nfs/dbraw/zinc/93/49/81/484934981.db2.gz UQXHFFBARJRRCD-VIFPVBQESA-N -1 0 368.371 -0.257 20 0 FBADRM O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)C1Cc2ccccc2C1 ZINC000681582099 484934734 /nfs/dbraw/zinc/93/47/34/484934734.db2.gz QABHGNFWJZQNBJ-HNNXBMFYSA-N -1 0 354.428 -0.141 20 0 FBADRM O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)C1Cc2ccccc2C1 ZINC000681582100 484934915 /nfs/dbraw/zinc/93/49/15/484934915.db2.gz QABHGNFWJZQNBJ-OAHLLOKOSA-N -1 0 354.428 -0.141 20 0 FBADRM O=C([O-])C1CCN(C(=O)N2CCN(S(=O)(=O)NC3CC3)CC2)CC1 ZINC000681583939 484935015 /nfs/dbraw/zinc/93/50/15/484935015.db2.gz IXCOPLZNFQCRGM-UHFFFAOYSA-N -1 0 360.436 -0.483 20 0 FBADRM CN(C1CC1)S(=O)(=O)N1CCN(C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000681584161 484935074 /nfs/dbraw/zinc/93/50/74/484935074.db2.gz PNZJNWUOHLHWOC-UHFFFAOYSA-N -1 0 374.463 -0.140 20 0 FBADRM CN(C1CC1)S(=O)(=O)N1CCN(C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000681584237 484934956 /nfs/dbraw/zinc/93/49/56/484934956.db2.gz ROOKTHCCLORYHG-GFCCVEGCSA-N -1 0 374.463 -0.140 20 0 FBADRM CN(C1CC1)S(=O)(=O)N1CCN(C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000681584239 484935188 /nfs/dbraw/zinc/93/51/88/484935188.db2.gz ROOKTHCCLORYHG-LBPRGKRZSA-N -1 0 374.463 -0.140 20 0 FBADRM CCS(=O)(=O)c1ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])cc1 ZINC000681584712 484934567 /nfs/dbraw/zinc/93/45/67/484934567.db2.gz GMVTXEUKIADHRT-UHFFFAOYSA-N -1 0 365.429 -0.062 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])s1 ZINC000681584732 484935140 /nfs/dbraw/zinc/93/51/40/484935140.db2.gz HLLBLGBLXXGLDN-UHFFFAOYSA-N -1 0 364.445 -0.116 20 0 FBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)N(CCO)CCC(=O)[O-] ZINC000681584756 484934727 /nfs/dbraw/zinc/93/47/27/484934727.db2.gz KXPJTLXKXFGRSF-UHFFFAOYSA-N -1 0 351.402 -0.452 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])cc1 ZINC000681584757 484934999 /nfs/dbraw/zinc/93/49/99/484934999.db2.gz KXQQABLQHOWCGE-UHFFFAOYSA-N -1 0 351.402 -0.452 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])cc1F ZINC000681584764 484934949 /nfs/dbraw/zinc/93/49/49/484934949.db2.gz LUOWPJCAJUNLNO-UHFFFAOYSA-N -1 0 369.392 -0.313 20 0 FBADRM O=C([O-])CCN(CCO)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000681584944 484935034 /nfs/dbraw/zinc/93/50/34/484935034.db2.gz IKZIXYCBXXWFQW-UHFFFAOYSA-N -1 0 357.344 -0.501 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])cc1 ZINC000681585043 484934530 /nfs/dbraw/zinc/93/45/30/484934530.db2.gz LQEUAEQGZHSEFQ-UHFFFAOYSA-N -1 0 358.416 -0.177 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])cc2n(C)c1=O ZINC000681585069 484935090 /nfs/dbraw/zinc/93/50/90/484935090.db2.gz MAKIEHVWYAKLBN-UHFFFAOYSA-N -1 0 357.388 -0.665 20 0 FBADRM O=C([O-])CCN(CCO)S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000681585133 484934802 /nfs/dbraw/zinc/93/48/02/484934802.db2.gz UCFCMHPIKSWKPV-UHFFFAOYSA-N -1 0 363.413 -0.526 20 0 FBADRM O=C([O-])CCN(CCO)S(=O)(=O)c1ccccc1Cn1cncn1 ZINC000681585134 484934930 /nfs/dbraw/zinc/93/49/30/484934930.db2.gz MRXWKUPVPLWYDN-UHFFFAOYSA-N -1 0 354.388 -0.216 20 0 FBADRM O=C([O-])CCN(CCO)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000681585210 484934830 /nfs/dbraw/zinc/93/48/30/484934830.db2.gz WINOKOMIKRKNEC-UHFFFAOYSA-N -1 0 356.400 -0.390 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)N(CCO)CCC(=O)[O-])c1 ZINC000681585259 484935104 /nfs/dbraw/zinc/93/51/04/484935104.db2.gz YEJVATZZAXFXQT-UHFFFAOYSA-N -1 0 365.429 -0.062 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(CCO)CCC(=O)[O-] ZINC000681585274 484882079 /nfs/dbraw/zinc/88/20/79/484882079.db2.gz OCTMXRZJJKRAGR-UHFFFAOYSA-N -1 0 365.429 -0.144 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N(CCO)CCC(=O)[O-])c1 ZINC000681585313 484935133 /nfs/dbraw/zinc/93/51/33/484935133.db2.gz PJKABUSBAAUVBH-UHFFFAOYSA-N -1 0 366.417 -0.948 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])cc2C1=O ZINC000681585327 484934553 /nfs/dbraw/zinc/93/45/53/484934553.db2.gz QJAJHMXMQXWQRP-UHFFFAOYSA-N -1 0 356.356 -0.630 20 0 FBADRM COc1ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])cc1C(=O)N(C)C ZINC000681585330 484935151 /nfs/dbraw/zinc/93/51/51/484935151.db2.gz QOXCPDXJMZFACR-UHFFFAOYSA-N -1 0 374.415 -0.145 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N(CCO)CCC(=O)[O-])c1 ZINC000681585371 484935155 /nfs/dbraw/zinc/93/51/55/484935155.db2.gz UFDXDWQWQJTANE-UHFFFAOYSA-N -1 0 355.376 -0.665 20 0 FBADRM O=C([O-])CCN(CCO)S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000681585491 484934668 /nfs/dbraw/zinc/93/46/68/484934668.db2.gz VBPCOVIGQFKPCS-UHFFFAOYSA-N -1 0 368.411 -0.020 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])cc1 ZINC000681585497 484934561 /nfs/dbraw/zinc/93/45/61/484934561.db2.gz VIFCTTXXUCNOAJ-UHFFFAOYSA-N -1 0 366.417 -0.948 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)N(CCO)CCC(=O)[O-])c1 ZINC000681585499 484935179 /nfs/dbraw/zinc/93/51/79/484935179.db2.gz VOHOIEQGYFZOJU-UHFFFAOYSA-N -1 0 351.402 -0.452 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])s1 ZINC000681585544 484935183 /nfs/dbraw/zinc/93/51/83/484935183.db2.gz WXFNIDBCDAUESP-UHFFFAOYSA-N -1 0 350.418 -0.158 20 0 FBADRM O=C([O-])CCN(CCO)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000681585571 484936208 /nfs/dbraw/zinc/93/62/08/484936208.db2.gz XKDMBWOABWWGMS-UHFFFAOYSA-N -1 0 359.404 -0.292 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])cc1 ZINC000681586293 484935558 /nfs/dbraw/zinc/93/55/58/484935558.db2.gz JUIVFPKNBUGBMW-SECBINFHSA-N -1 0 364.401 -0.802 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1 ZINC000681586294 484935716 /nfs/dbraw/zinc/93/57/16/484935716.db2.gz JUIVFPKNBUGBMW-VIFPVBQESA-N -1 0 364.401 -0.802 20 0 FBADRM O=C([O-])C[C@@H]1COCCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000681586365 484936168 /nfs/dbraw/zinc/93/61/68/484936168.db2.gz MLYLNRCJKOCIFT-LLVKDONJSA-N -1 0 353.360 -0.474 20 0 FBADRM O=C([O-])C[C@H]1COCCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000681586366 484935625 /nfs/dbraw/zinc/93/56/25/484935625.db2.gz MLYLNRCJKOCIFT-NSHDSACASA-N -1 0 353.360 -0.474 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])c1 ZINC000681587045 484935591 /nfs/dbraw/zinc/93/55/91/484935591.db2.gz ZLGPLVVLGICLBH-LLVKDONJSA-N -1 0 367.387 -0.259 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])c1 ZINC000681587046 484935641 /nfs/dbraw/zinc/93/56/41/484935641.db2.gz ZLGPLVVLGICLBH-NSHDSACASA-N -1 0 367.387 -0.259 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000681587205 484889393 /nfs/dbraw/zinc/88/93/93/484889393.db2.gz RMOQUDRYZWIKNO-LLVKDONJSA-N -1 0 356.466 -0.168 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000681587206 484891575 /nfs/dbraw/zinc/89/15/75/484891575.db2.gz RMOQUDRYZWIKNO-NSHDSACASA-N -1 0 356.466 -0.168 20 0 FBADRM O=C([O-])C[C@H]1CCCN1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000681588934 484936069 /nfs/dbraw/zinc/93/60/69/484936069.db2.gz QLVNXBMZMGMBTK-MRVPVSSYSA-N -1 0 353.356 -0.156 20 0 FBADRM O=C([O-])C[C@@H]1CCCN1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000681588935 484935610 /nfs/dbraw/zinc/93/56/10/484935610.db2.gz QLVNXBMZMGMBTK-QMMMGPOBSA-N -1 0 353.356 -0.156 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])cnc21 ZINC000681588938 484936177 /nfs/dbraw/zinc/93/61/77/484936177.db2.gz QSYSHXHYPKGXIN-MRVPVSSYSA-N -1 0 368.371 -0.338 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])cnc21 ZINC000681588939 484935804 /nfs/dbraw/zinc/93/58/04/484935804.db2.gz QSYSHXHYPKGXIN-QMMMGPOBSA-N -1 0 368.371 -0.338 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000681589039 484935900 /nfs/dbraw/zinc/93/59/00/484935900.db2.gz QIBPDPBYBXPJNG-AWEZNQCLSA-N -1 0 356.400 -0.161 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000681589041 484936256 /nfs/dbraw/zinc/93/62/56/484936256.db2.gz QIBPDPBYBXPJNG-CQSZACIVSA-N -1 0 356.400 -0.161 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000681589202 484935908 /nfs/dbraw/zinc/93/59/08/484935908.db2.gz NMCIISNURCCKGN-BXKDBHETSA-N -1 0 372.447 -0.116 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000681589203 484935865 /nfs/dbraw/zinc/93/58/65/484935865.db2.gz NMCIISNURCCKGN-CABZTGNLSA-N -1 0 372.447 -0.116 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC000681589204 484936225 /nfs/dbraw/zinc/93/62/25/484936225.db2.gz NMCIISNURCCKGN-JOYOIKCWSA-N -1 0 372.447 -0.116 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(N)=O ZINC000681589205 484935543 /nfs/dbraw/zinc/93/55/43/484935543.db2.gz NMCIISNURCCKGN-SKDRFNHKSA-N -1 0 372.447 -0.116 20 0 FBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CC[C@H]1CCCO1 ZINC000681590038 484936311 /nfs/dbraw/zinc/93/63/11/484936311.db2.gz SYFFZXZKECUWKF-GHMZBOCLSA-N -1 0 355.434 -0.541 20 0 FBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CC[C@@H]1CCCO1 ZINC000681590039 484935607 /nfs/dbraw/zinc/93/56/07/484935607.db2.gz SYFFZXZKECUWKF-MNOVXSKESA-N -1 0 355.434 -0.541 20 0 FBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CC[C@@H]1CCCO1 ZINC000681590040 484936086 /nfs/dbraw/zinc/93/60/86/484936086.db2.gz SYFFZXZKECUWKF-QWRGUYRKSA-N -1 0 355.434 -0.541 20 0 FBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CC[C@H]1CCCO1 ZINC000681590041 484935598 /nfs/dbraw/zinc/93/55/98/484935598.db2.gz SYFFZXZKECUWKF-WDEREUQCSA-N -1 0 355.434 -0.541 20 0 FBADRM CC(C)c1nc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])c[nH]1 ZINC000681590112 484936152 /nfs/dbraw/zinc/93/61/52/484936152.db2.gz WJPUJCAEZIYKDX-SECBINFHSA-N -1 0 365.433 -0.205 20 0 FBADRM CC(C)c1nc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])c[nH]1 ZINC000681590113 484935824 /nfs/dbraw/zinc/93/58/24/484935824.db2.gz WJPUJCAEZIYKDX-VIFPVBQESA-N -1 0 365.433 -0.205 20 0 FBADRM CC(C)c1nc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c[nH]1 ZINC000681590316 484936008 /nfs/dbraw/zinc/93/60/08/484936008.db2.gz JLVDKOWGLNSAMC-MRVPVSSYSA-N -1 0 351.406 -0.595 20 0 FBADRM CC(C)c1nc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c[nH]1 ZINC000681590317 484935732 /nfs/dbraw/zinc/93/57/32/484935732.db2.gz JLVDKOWGLNSAMC-QMMMGPOBSA-N -1 0 351.406 -0.595 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)CC[C@@H]3CCCO3)C2)C1 ZINC000681590665 484936287 /nfs/dbraw/zinc/93/62/87/484936287.db2.gz NWSYHLCLAVBKOK-AGIUHOORSA-N -1 0 360.432 -0.107 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)CC[C@H]3CCCO3)C2)C1 ZINC000681590666 484936187 /nfs/dbraw/zinc/93/61/87/484936187.db2.gz NWSYHLCLAVBKOK-FRRDWIJNSA-N -1 0 360.432 -0.107 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)CC[C@H]3CCCO3)C2)C1 ZINC000681590667 484935572 /nfs/dbraw/zinc/93/55/72/484935572.db2.gz NWSYHLCLAVBKOK-JHJVBQTASA-N -1 0 360.432 -0.107 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)CC[C@@H]3CCCO3)C2)C1 ZINC000681590668 484936215 /nfs/dbraw/zinc/93/62/15/484936215.db2.gz NWSYHLCLAVBKOK-UPJWGTAASA-N -1 0 360.432 -0.107 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)C1Cc2ccccc2C1 ZINC000681590816 484935914 /nfs/dbraw/zinc/93/59/14/484935914.db2.gz RHGZPWLZEUHBIA-CYBMUJFWSA-N -1 0 359.425 -0.333 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)C1Cc2ccccc2C1 ZINC000681590817 484935633 /nfs/dbraw/zinc/93/56/33/484935633.db2.gz RHGZPWLZEUHBIA-ZDUSSCGKSA-N -1 0 359.425 -0.333 20 0 FBADRM CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cnn(CCO)c1 ZINC000681656504 484936781 /nfs/dbraw/zinc/93/67/81/484936781.db2.gz WGVZXMWMHOUNEN-UHFFFAOYSA-N -1 0 374.444 -0.026 20 0 FBADRM COc1ccc(Cn2ccc(NC(=O)C(=O)NCc3nnn[n-]3)n2)cc1 ZINC000681720238 484938558 /nfs/dbraw/zinc/93/85/58/484938558.db2.gz SMSXTUCIRDGBQI-UHFFFAOYSA-N -1 0 356.346 -0.292 20 0 FBADRM CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)CCO1 ZINC000681941603 484949967 /nfs/dbraw/zinc/94/99/67/484949967.db2.gz FMFZJXOGCNYEGQ-AWEZNQCLSA-N -1 0 363.370 -0.440 20 0 FBADRM CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)c2cccc(C(N)=O)c2)CCO1 ZINC000681941616 484949978 /nfs/dbraw/zinc/94/99/78/484949978.db2.gz FMFZJXOGCNYEGQ-CQSZACIVSA-N -1 0 363.370 -0.440 20 0 FBADRM CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)COCC(F)(F)F)CCO1 ZINC000681942720 484950651 /nfs/dbraw/zinc/95/06/51/484950651.db2.gz OEPYVMTWHJDGHR-JTQLQIEISA-N -1 0 356.297 -0.274 20 0 FBADRM CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)COCC(F)(F)F)CCO1 ZINC000681942721 484951097 /nfs/dbraw/zinc/95/10/97/484951097.db2.gz OEPYVMTWHJDGHR-SNVBAGLBSA-N -1 0 356.297 -0.274 20 0 FBADRM CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)c2ccc(N(C)C)nc2)CCO1 ZINC000681942781 484950768 /nfs/dbraw/zinc/95/07/68/484950768.db2.gz PXQZQYVTWZZBMW-AWEZNQCLSA-N -1 0 364.402 -0.078 20 0 FBADRM CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)c2ccc(N(C)C)nc2)CCO1 ZINC000681942782 484950825 /nfs/dbraw/zinc/95/08/25/484950825.db2.gz PXQZQYVTWZZBMW-CQSZACIVSA-N -1 0 364.402 -0.078 20 0 FBADRM CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)CCn2ccccc2=O)CCO1 ZINC000681943146 484950725 /nfs/dbraw/zinc/95/07/25/484950725.db2.gz IZCJYVSDTPYKAM-AWEZNQCLSA-N -1 0 365.386 -0.601 20 0 FBADRM CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)CCn2ccccc2=O)CCO1 ZINC000681943148 484950846 /nfs/dbraw/zinc/95/08/46/484950846.db2.gz IZCJYVSDTPYKAM-CQSZACIVSA-N -1 0 365.386 -0.601 20 0 FBADRM CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(C)=O)C2)CCO1 ZINC000681944532 484950711 /nfs/dbraw/zinc/95/07/11/484950711.db2.gz ZVAQAOWDVDYRQA-CABCVRRESA-N -1 0 369.418 -0.595 20 0 FBADRM CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)[C@H]2CCCN(C(C)=O)C2)CCO1 ZINC000681944533 484950644 /nfs/dbraw/zinc/95/06/44/484950644.db2.gz ZVAQAOWDVDYRQA-GJZGRUSLSA-N -1 0 369.418 -0.595 20 0 FBADRM CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)[C@@H]2CCCN(C(C)=O)C2)CCO1 ZINC000681944534 484950689 /nfs/dbraw/zinc/95/06/89/484950689.db2.gz ZVAQAOWDVDYRQA-HUUCEWRRSA-N -1 0 369.418 -0.595 20 0 FBADRM CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)[C@H]2CCCN(C(C)=O)C2)CCO1 ZINC000681944535 484950971 /nfs/dbraw/zinc/95/09/71/484950971.db2.gz ZVAQAOWDVDYRQA-LSDHHAIUSA-N -1 0 369.418 -0.595 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cnn(CCO)c1 ZINC000681961022 484952222 /nfs/dbraw/zinc/95/22/22/484952222.db2.gz BISUXTVCCCMDIY-UHFFFAOYSA-N -1 0 374.444 -0.074 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C(N)=O)[nH]n1 ZINC000681997317 484951621 /nfs/dbraw/zinc/95/16/21/484951621.db2.gz VGHVAMYIFGMILL-UHFFFAOYSA-N -1 0 373.416 -0.440 20 0 FBADRM Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC000682409146 484965758 /nfs/dbraw/zinc/96/57/58/484965758.db2.gz GFNKEARTVUUGGI-UHFFFAOYSA-N -1 0 357.374 -0.097 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3C[C@@H](O)CC(F)(F)C3)cc-2c(=O)[n-]1 ZINC000682496233 484968631 /nfs/dbraw/zinc/96/86/31/484968631.db2.gz LVLZCKHTLMSJHV-LURJTMIESA-N -1 0 362.314 -0.173 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3C[C@H](O)CC(F)(F)C3)cc-2c(=O)[n-]1 ZINC000682496235 484968263 /nfs/dbraw/zinc/96/82/63/484968263.db2.gz LVLZCKHTLMSJHV-ZCFIWIBFSA-N -1 0 362.314 -0.173 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)O1 ZINC000682521248 484968439 /nfs/dbraw/zinc/96/84/39/484968439.db2.gz CPRJDIHIXGLOOQ-LOWDOPEQSA-N -1 0 361.416 -0.187 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)O1 ZINC000682521249 484968546 /nfs/dbraw/zinc/96/85/46/484968546.db2.gz CPRJDIHIXGLOOQ-LPWJVIDDSA-N -1 0 361.416 -0.187 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)O1 ZINC000682521250 484968659 /nfs/dbraw/zinc/96/86/59/484968659.db2.gz CPRJDIHIXGLOOQ-RVMXOQNASA-N -1 0 361.416 -0.187 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)O1 ZINC000682521251 484968208 /nfs/dbraw/zinc/96/82/08/484968208.db2.gz CPRJDIHIXGLOOQ-XQHKEYJVSA-N -1 0 361.416 -0.187 20 0 FBADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCCS(=O)(=O)N2CCSCC2)O1 ZINC000682523031 484968287 /nfs/dbraw/zinc/96/82/87/484968287.db2.gz KOFAFCYTMUQGEW-NXEZZACHSA-N -1 0 352.434 -0.887 20 0 FBADRM O=C([O-])[C@@H]1CC[C@@H](C(=O)NCCS(=O)(=O)N2CCSCC2)O1 ZINC000682523034 484968068 /nfs/dbraw/zinc/96/80/68/484968068.db2.gz KOFAFCYTMUQGEW-UWVGGRQHSA-N -1 0 352.434 -0.887 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCS(=O)(=O)N2CCSCC2)O1 ZINC000682523035 484968717 /nfs/dbraw/zinc/96/87/17/484968717.db2.gz KOFAFCYTMUQGEW-ZJUUUORDSA-N -1 0 352.434 -0.887 20 0 FBADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCCS(=O)(=O)NCc2ccccc2)O1 ZINC000682524696 484968824 /nfs/dbraw/zinc/96/88/24/484968824.db2.gz QOWRYIYLHONIBH-CHWSQXEVSA-N -1 0 356.400 -0.146 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCS(=O)(=O)NCc2ccccc2)O1 ZINC000682524698 484968409 /nfs/dbraw/zinc/96/84/09/484968409.db2.gz QOWRYIYLHONIBH-OLZOCXBDSA-N -1 0 356.400 -0.146 20 0 FBADRM O=C([O-])[C@@H]1CC[C@@H](C(=O)NCCS(=O)(=O)NCc2ccccc2)O1 ZINC000682524699 484968139 /nfs/dbraw/zinc/96/81/39/484968139.db2.gz QOWRYIYLHONIBH-STQMWFEESA-N -1 0 356.400 -0.146 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)O1 ZINC000682525307 484968099 /nfs/dbraw/zinc/96/80/99/484968099.db2.gz MIGOEEXLHSYZTB-NEPJUHHUSA-N -1 0 373.387 -0.719 20 0 FBADRM O=C([O-])[C@@H]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)O1 ZINC000682525677 484968554 /nfs/dbraw/zinc/96/85/54/484968554.db2.gz MIGOEEXLHSYZTB-RYUDHWBXSA-N -1 0 373.387 -0.719 20 0 FBADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)O1 ZINC000682525679 484968704 /nfs/dbraw/zinc/96/87/04/484968704.db2.gz MIGOEEXLHSYZTB-VXGBXAGGSA-N -1 0 373.387 -0.719 20 0 FBADRM O=C([O-])C1CC(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 ZINC000682699656 484973196 /nfs/dbraw/zinc/97/31/96/484973196.db2.gz WJHVSGPNLKXPSF-UHFFFAOYSA-N -1 0 359.382 -0.014 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C2CC(C(=O)[O-])C2)c1 ZINC000682703479 484973504 /nfs/dbraw/zinc/97/35/04/484973504.db2.gz LOVNHBVAGKTWGN-UHFFFAOYSA-N -1 0 369.399 -0.240 20 0 FBADRM O=C([O-])C1CC(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000682705232 484973370 /nfs/dbraw/zinc/97/33/70/484973370.db2.gz YFJBBODTCDBIBN-UHFFFAOYSA-N -1 0 361.402 -0.258 20 0 FBADRM O=C([O-])C1CC(C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC000682705401 484973529 /nfs/dbraw/zinc/97/35/29/484973529.db2.gz XIBQAACPYBNVAX-UHFFFAOYSA-N -1 0 357.388 -0.241 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC2(c3nnn[n-]3)CC2)cc1 ZINC000682824787 484974665 /nfs/dbraw/zinc/97/46/65/484974665.db2.gz BGWIMYSLKYJNDD-UHFFFAOYSA-N -1 0 364.387 -0.514 20 0 FBADRM CNc1ccc(S(=O)(=O)NC)cc1[N-]S(=O)(=O)c1cnnn1C ZINC000682832652 484974271 /nfs/dbraw/zinc/97/42/71/484974271.db2.gz CAMKCUFVSBLZDY-UHFFFAOYSA-N -1 0 360.421 -0.434 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000682832717 484974855 /nfs/dbraw/zinc/97/48/55/484974855.db2.gz FUYKDYKDIWFOBP-CYBMUJFWSA-N -1 0 350.360 -0.330 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000682832718 484975114 /nfs/dbraw/zinc/97/51/14/484975114.db2.gz FUYKDYKDIWFOBP-ZDUSSCGKSA-N -1 0 350.360 -0.330 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccnc3ncnn32)cc1 ZINC000682900318 484976283 /nfs/dbraw/zinc/97/62/83/484976283.db2.gz ZQWPTISJIMXFEF-UHFFFAOYSA-N -1 0 354.373 -0.428 20 0 FBADRM COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000683119901 484978645 /nfs/dbraw/zinc/97/86/45/484978645.db2.gz FPRFFWOZLGAZNW-LLVKDONJSA-N -1 0 360.436 -0.064 20 0 FBADRM COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000683119902 484978272 /nfs/dbraw/zinc/97/82/72/484978272.db2.gz FPRFFWOZLGAZNW-NSHDSACASA-N -1 0 360.436 -0.064 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000683299402 484982592 /nfs/dbraw/zinc/98/25/92/484982592.db2.gz NVRYYVIHVBCIMT-UHFFFAOYSA-N -1 0 356.408 -0.187 20 0 FBADRM Cc1noc2ncc(S(=O)(=O)NCCn3cc(C(=O)[O-])nn3)cc12 ZINC000683299553 484982097 /nfs/dbraw/zinc/98/20/97/484982097.db2.gz RQZUGALKVUDPDE-UHFFFAOYSA-N -1 0 352.332 -0.201 20 0 FBADRM CN(CC(=O)N(CC(=O)[O-])C1CCOCC1)S(=O)(=O)c1cccnc1 ZINC000683307572 484982632 /nfs/dbraw/zinc/98/26/32/484982632.db2.gz ITOXMVVJQSNVKA-UHFFFAOYSA-N -1 0 371.415 -0.206 20 0 FBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)NCC1(C(=O)[O-])CCOCC1 ZINC000683331698 484982192 /nfs/dbraw/zinc/98/21/92/484982192.db2.gz KVGKJCOSBKOLHC-UHFFFAOYSA-N -1 0 353.375 -0.151 20 0 FBADRM O=C([O-])C1CC(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000683338219 484982132 /nfs/dbraw/zinc/98/21/32/484982132.db2.gz VQFILLUDNBXKIR-BPCQOVAHSA-N -1 0 360.432 -0.250 20 0 FBADRM O=C([O-])C1CC(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000683338220 484982408 /nfs/dbraw/zinc/98/24/08/484982408.db2.gz VQFILLUDNBXKIR-WXRRBKDZSA-N -1 0 360.432 -0.250 20 0 FBADRM CCN1CCN(CCc2noc(C(=O)[N-]c3cc(C)on3)n2)C(=O)C1=O ZINC000683581635 484987433 /nfs/dbraw/zinc/98/74/33/484987433.db2.gz KPGBEBAZURRUKN-UHFFFAOYSA-N -1 0 362.346 -0.148 20 0 FBADRM CC1(C)CN(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)Cc2ccccc2)CCO1 ZINC000683620976 484987753 /nfs/dbraw/zinc/98/77/53/484987753.db2.gz OPOBQOMIMBUICY-KBPBESRZSA-N -1 0 372.443 -0.012 20 0 FBADRM CC1(C)CN(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)Cc2ccccc2)CCO1 ZINC000683620977 484987011 /nfs/dbraw/zinc/98/70/11/484987011.db2.gz OPOBQOMIMBUICY-KGLIPLIRSA-N -1 0 372.443 -0.012 20 0 FBADRM CC1(C)CN(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)Cc2ccccc2)CCO1 ZINC000683620978 484987035 /nfs/dbraw/zinc/98/70/35/484987035.db2.gz OPOBQOMIMBUICY-UONOGXRCSA-N -1 0 372.443 -0.012 20 0 FBADRM CC1(C)CN(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)Cc2ccccc2)CCO1 ZINC000683620979 484987031 /nfs/dbraw/zinc/98/70/31/484987031.db2.gz OPOBQOMIMBUICY-ZIAGYGMSSA-N -1 0 372.443 -0.012 20 0 FBADRM COc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1NC(C)=O ZINC000683729216 484991936 /nfs/dbraw/zinc/99/19/36/484991936.db2.gz CECLLXLEIYMEQV-UHFFFAOYSA-N -1 0 373.387 -0.477 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000683729441 484991611 /nfs/dbraw/zinc/99/16/11/484991611.db2.gz MQLGOJSKYJWVKS-UHFFFAOYSA-N -1 0 353.356 -0.603 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c(F)c1 ZINC000683729579 484992085 /nfs/dbraw/zinc/99/20/85/484992085.db2.gz SUTNKKHDRZSJOP-UHFFFAOYSA-N -1 0 361.351 -0.347 20 0 FBADRM COc1cc(F)c(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c(F)c1 ZINC000683729640 484992070 /nfs/dbraw/zinc/99/20/70/484992070.db2.gz WCKFXCXYMDCERT-UHFFFAOYSA-N -1 0 352.315 -0.157 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000683729848 484991992 /nfs/dbraw/zinc/99/19/92/484991992.db2.gz AGGDLYCQVJYOBF-UHFFFAOYSA-N -1 0 352.372 -0.259 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1 ZINC000683730196 484991787 /nfs/dbraw/zinc/99/17/87/484991787.db2.gz LGHWQARDXISEFR-UHFFFAOYSA-N -1 0 371.415 -0.766 20 0 FBADRM CN1CC[C@@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1=O ZINC000683894001 484992984 /nfs/dbraw/zinc/99/29/84/484992984.db2.gz JLNVSXPVALCNCD-SSDOTTSWSA-N -1 0 353.360 -0.665 20 0 FBADRM CN1CC[C@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1=O ZINC000683894007 484993228 /nfs/dbraw/zinc/99/32/28/484993228.db2.gz JLNVSXPVALCNCD-ZETCQYMHSA-N -1 0 353.360 -0.665 20 0 FBADRM CCn1cc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c(C(N)=O)n1 ZINC000683902904 484992954 /nfs/dbraw/zinc/99/29/54/484992954.db2.gz KAMLVLFYEAZGSQ-UHFFFAOYSA-N -1 0 373.416 -0.550 20 0 FBADRM C[C@H]1OCCN(S(=O)(=O)c2ccccc2S(C)(=O)=O)[C@@H]1C(=O)[O-] ZINC000683925149 484995561 /nfs/dbraw/zinc/99/55/61/484995561.db2.gz JBYKFLWIPZQECI-SKDRFNHKSA-N -1 0 363.413 -0.047 20 0 FBADRM CS(=O)(=O)NCCc1ccc(C(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000684064830 484999905 /nfs/dbraw/zinc/99/99/05/484999905.db2.gz VARVMHAOLWDWAG-UHFFFAOYSA-N -1 0 354.388 -0.573 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2CCN(C)C(=O)C2)c1 ZINC000684490935 485008848 /nfs/dbraw/zinc/00/88/48/485008848.db2.gz VDCQBKQKPBIPIR-JTQLQIEISA-N -1 0 355.416 -0.007 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2CCN(C)C(=O)C2)c1 ZINC000684491108 485008593 /nfs/dbraw/zinc/00/85/93/485008593.db2.gz VDCQBKQKPBIPIR-SNVBAGLBSA-N -1 0 355.416 -0.007 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000684492863 485008558 /nfs/dbraw/zinc/00/85/58/485008558.db2.gz NCUWPRFBKOSZLR-CYBMUJFWSA-N -1 0 373.373 -0.567 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000684492864 485008717 /nfs/dbraw/zinc/00/87/17/485008717.db2.gz NCUWPRFBKOSZLR-ZDUSSCGKSA-N -1 0 373.373 -0.567 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000684493732 485008037 /nfs/dbraw/zinc/00/80/37/485008037.db2.gz XKBWAARDIVGVDI-LLVKDONJSA-N -1 0 352.376 -0.270 20 0 FBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000684493737 485008201 /nfs/dbraw/zinc/00/82/01/485008201.db2.gz XKBWAARDIVGVDI-NSHDSACASA-N -1 0 352.376 -0.270 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CCO)c2)cc1C ZINC000684534464 485009439 /nfs/dbraw/zinc/00/94/39/485009439.db2.gz PRGXDPRQOZTBEK-UHFFFAOYSA-N -1 0 374.444 -0.107 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)NCc2nnnn2C2CC2)cn1 ZINC000684580182 485010885 /nfs/dbraw/zinc/01/08/85/485010885.db2.gz CEVONMLWDLXSDY-UHFFFAOYSA-N -1 0 358.405 -0.715 20 0 FBADRM COC1(CNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CCOCC1 ZINC000684583425 485010972 /nfs/dbraw/zinc/01/09/72/485010972.db2.gz CUZGWPQIICMQME-UHFFFAOYSA-N -1 0 364.445 -0.041 20 0 FBADRM CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000684585319 485010881 /nfs/dbraw/zinc/01/08/81/485010881.db2.gz PKKDVJGASQTGHH-NSHDSACASA-N -1 0 363.461 -0.076 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)n[nH]2)cc1C ZINC000684608505 485010929 /nfs/dbraw/zinc/01/09/29/485010929.db2.gz UKUDVNZLTIQFEV-UHFFFAOYSA-N -1 0 373.416 -0.474 20 0 FBADRM COc1cc(NC(=O)C(=O)NCc2nnn[n-]2)c(OC)c(C)c1OC ZINC000684634854 657495645 /nfs/dbraw/zinc/49/56/45/657495645.db2.gz SBBDXAREVYECTQ-UHFFFAOYSA-N -1 0 350.335 -0.211 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)N(CCO)CCC(=O)[O-])OCC(=O)N2 ZINC000684655416 485012157 /nfs/dbraw/zinc/01/21/57/485012157.db2.gz OHPQCEAFTBBGPL-UHFFFAOYSA-N -1 0 374.371 -0.516 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000684716783 485013435 /nfs/dbraw/zinc/01/34/35/485013435.db2.gz CLLCTVHJMBIWNE-HNNXBMFYSA-N -1 0 371.415 -0.184 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000684716785 485012983 /nfs/dbraw/zinc/01/29/83/485012983.db2.gz CLLCTVHJMBIWNE-OAHLLOKOSA-N -1 0 371.415 -0.184 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000684716895 485013144 /nfs/dbraw/zinc/01/31/44/485013144.db2.gz GIFQZEQFOPCLSP-LLVKDONJSA-N -1 0 351.425 -0.459 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000684716910 485013121 /nfs/dbraw/zinc/01/31/21/485013121.db2.gz GIFQZEQFOPCLSP-NSHDSACASA-N -1 0 351.425 -0.459 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)N[C@](C)(COC)C(=O)[O-])s1 ZINC000684718014 485013178 /nfs/dbraw/zinc/01/31/78/485013178.db2.gz NNFGWKGKCZMZNU-GFCCVEGCSA-N -1 0 365.433 -0.055 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)N[C@@](C)(COC)C(=O)[O-])s1 ZINC000684718015 485013153 /nfs/dbraw/zinc/01/31/53/485013153.db2.gz NNFGWKGKCZMZNU-LBPRGKRZSA-N -1 0 365.433 -0.055 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)N[C@H](COC)C(=O)[O-])s1 ZINC000684718400 485012777 /nfs/dbraw/zinc/01/27/77/485012777.db2.gz TWFFTHYHKPDMOD-MRVPVSSYSA-N -1 0 351.406 -0.445 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H](COC)C(=O)[O-])s1 ZINC000684718401 485012972 /nfs/dbraw/zinc/01/29/72/485012972.db2.gz TWFFTHYHKPDMOD-QMMMGPOBSA-N -1 0 351.406 -0.445 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)N[C@H](COC)C(=O)[O-])cc1 ZINC000684718426 485013426 /nfs/dbraw/zinc/01/34/26/485013426.db2.gz ULPWXKKJZRUQGR-GFCCVEGCSA-N -1 0 359.404 -0.365 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)N[C@@H](COC)C(=O)[O-])cc1 ZINC000684718427 485013288 /nfs/dbraw/zinc/01/32/88/485013288.db2.gz ULPWXKKJZRUQGR-LBPRGKRZSA-N -1 0 359.404 -0.365 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000684718521 485012796 /nfs/dbraw/zinc/01/27/96/485012796.db2.gz XJZQMQCFUBVEJN-HNNXBMFYSA-N -1 0 371.415 -0.221 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000684718522 485012881 /nfs/dbraw/zinc/01/28/81/485012881.db2.gz XJZQMQCFUBVEJN-OAHLLOKOSA-N -1 0 371.415 -0.221 20 0 FBADRM CCS(=O)(=O)N1CCC(NC(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])CC1 ZINC000684718962 485013331 /nfs/dbraw/zinc/01/33/31/485013331.db2.gz PRNMVCLWKXGETH-NEPJUHHUSA-N -1 0 363.436 -0.316 20 0 FBADRM CCS(=O)(=O)N1CCC(NC(=O)N2C[C@@H](OC)C[C@@H]2C(=O)[O-])CC1 ZINC000684718970 485012840 /nfs/dbraw/zinc/01/28/40/485012840.db2.gz PRNMVCLWKXGETH-NWDGAFQWSA-N -1 0 363.436 -0.316 20 0 FBADRM CCS(=O)(=O)N1CCC(NC(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])CC1 ZINC000684718972 485013406 /nfs/dbraw/zinc/01/34/06/485013406.db2.gz PRNMVCLWKXGETH-RYUDHWBXSA-N -1 0 363.436 -0.316 20 0 FBADRM CCS(=O)(=O)N1CCC(NC(=O)N2C[C@H](OC)C[C@@H]2C(=O)[O-])CC1 ZINC000684718974 485013017 /nfs/dbraw/zinc/01/30/17/485013017.db2.gz PRNMVCLWKXGETH-VXGBXAGGSA-N -1 0 363.436 -0.316 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)NC1CCN(S(=O)(=O)CC)CC1 ZINC000684719010 485013351 /nfs/dbraw/zinc/01/33/51/485013351.db2.gz QQJWUCICPRJKST-GFCCVEGCSA-N -1 0 365.452 -0.068 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)NC1CCN(S(=O)(=O)CC)CC1 ZINC000684719011 485012909 /nfs/dbraw/zinc/01/29/09/485012909.db2.gz QQJWUCICPRJKST-LBPRGKRZSA-N -1 0 365.452 -0.068 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)NCCCN(C)S(=O)(=O)CC ZINC000684720361 485013413 /nfs/dbraw/zinc/01/34/13/485013413.db2.gz AYUITRHCXXPAEO-LLVKDONJSA-N -1 0 353.441 -0.211 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)NCCCN(C)S(=O)(=O)CC ZINC000684720362 485013107 /nfs/dbraw/zinc/01/31/07/485013107.db2.gz AYUITRHCXXPAEO-NSHDSACASA-N -1 0 353.441 -0.211 20 0 FBADRM CN(CCCNC(=O)N(CC(=O)[O-])C1CCOCC1)S(C)(=O)=O ZINC000684720394 485012994 /nfs/dbraw/zinc/01/29/94/485012994.db2.gz BOXASZCRAMMSBP-UHFFFAOYSA-N -1 0 351.425 -0.457 20 0 FBADRM CCCN(C(=O)NCCCN(C)S(C)(=O)=O)[C@H](COC)C(=O)[O-] ZINC000684720470 485012697 /nfs/dbraw/zinc/01/26/97/485012697.db2.gz CAUINJQHLYSGNH-LLVKDONJSA-N -1 0 353.441 -0.211 20 0 FBADRM CCCN(C(=O)NCCCN(C)S(C)(=O)=O)[C@@H](COC)C(=O)[O-] ZINC000684720471 485012730 /nfs/dbraw/zinc/01/27/30/485012730.db2.gz CAUINJQHLYSGNH-NSHDSACASA-N -1 0 353.441 -0.211 20 0 FBADRM CN(CCCNC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1)S(C)(=O)=O ZINC000684720900 485013094 /nfs/dbraw/zinc/01/30/94/485013094.db2.gz JLARLKYSZBTAQN-GHMZBOCLSA-N -1 0 351.425 -0.553 20 0 FBADRM CN(CCCNC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1)S(C)(=O)=O ZINC000684720904 485013197 /nfs/dbraw/zinc/01/31/97/485013197.db2.gz JLARLKYSZBTAQN-MNOVXSKESA-N -1 0 351.425 -0.553 20 0 FBADRM CN(CCCNC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1)S(C)(=O)=O ZINC000684720905 485012849 /nfs/dbraw/zinc/01/28/49/485012849.db2.gz JLARLKYSZBTAQN-QWRGUYRKSA-N -1 0 351.425 -0.553 20 0 FBADRM CN(CCCNC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1)S(C)(=O)=O ZINC000684720906 485012902 /nfs/dbraw/zinc/01/29/02/485012902.db2.gz JLARLKYSZBTAQN-WDEREUQCSA-N -1 0 351.425 -0.553 20 0 FBADRM CO[C@@H]1CCN(C(=O)NCCCN(C)S(C)(=O)=O)[C@@H](C(=O)[O-])C1 ZINC000684721083 485013460 /nfs/dbraw/zinc/01/34/60/485013460.db2.gz MEFOROVHEQNQLW-GHMZBOCLSA-N -1 0 351.425 -0.459 20 0 FBADRM CO[C@@H]1CCN(C(=O)NCCCN(C)S(C)(=O)=O)[C@H](C(=O)[O-])C1 ZINC000684721084 485013227 /nfs/dbraw/zinc/01/32/27/485013227.db2.gz MEFOROVHEQNQLW-MNOVXSKESA-N -1 0 351.425 -0.459 20 0 FBADRM CO[C@H]1CCN(C(=O)NCCCN(C)S(C)(=O)=O)[C@H](C(=O)[O-])C1 ZINC000684721086 485012873 /nfs/dbraw/zinc/01/28/73/485012873.db2.gz MEFOROVHEQNQLW-QWRGUYRKSA-N -1 0 351.425 -0.459 20 0 FBADRM CO[C@H]1CCN(C(=O)NCCCN(C)S(C)(=O)=O)[C@@H](C(=O)[O-])C1 ZINC000684721088 485013163 /nfs/dbraw/zinc/01/31/63/485013163.db2.gz MEFOROVHEQNQLW-WDEREUQCSA-N -1 0 351.425 -0.459 20 0 FBADRM CN(CCCNC(=O)N[C@@H](C(=O)[O-])C1CCOCC1)S(C)(=O)=O ZINC000684721124 485012897 /nfs/dbraw/zinc/01/28/97/485012897.db2.gz NEKGRTDELVNILU-LLVKDONJSA-N -1 0 351.425 -0.553 20 0 FBADRM CN(CCCNC(=O)N[C@H](C(=O)[O-])C1CCOCC1)S(C)(=O)=O ZINC000684721126 485013343 /nfs/dbraw/zinc/01/33/43/485013343.db2.gz NEKGRTDELVNILU-NSHDSACASA-N -1 0 351.425 -0.553 20 0 FBADRM CN(CCCNC(=O)NC1(C(=O)[O-])CCSCC1)S(C)(=O)=O ZINC000684721404 485013269 /nfs/dbraw/zinc/01/32/69/485013269.db2.gz QPZTWUOORYFBLY-UHFFFAOYSA-N -1 0 353.466 -0.083 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000684721819 485013115 /nfs/dbraw/zinc/01/31/15/485013115.db2.gz ZGNSGZRQNJATHX-AWEZNQCLSA-N -1 0 357.388 -0.362 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000684721825 485012686 /nfs/dbraw/zinc/01/26/86/485012686.db2.gz ZGNSGZRQNJATHX-CQSZACIVSA-N -1 0 357.388 -0.362 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000684724933 485013052 /nfs/dbraw/zinc/01/30/52/485013052.db2.gz DPRDQSJEKPSGIY-GHMZBOCLSA-N -1 0 351.425 -0.459 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000684724934 485013250 /nfs/dbraw/zinc/01/32/50/485013250.db2.gz DPRDQSJEKPSGIY-MNOVXSKESA-N -1 0 351.425 -0.459 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000684724936 485013048 /nfs/dbraw/zinc/01/30/48/485013048.db2.gz DPRDQSJEKPSGIY-QWRGUYRKSA-N -1 0 351.425 -0.459 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000684724938 485013067 /nfs/dbraw/zinc/01/30/67/485013067.db2.gz DPRDQSJEKPSGIY-WDEREUQCSA-N -1 0 351.425 -0.459 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000684725710 485012924 /nfs/dbraw/zinc/01/29/24/485012924.db2.gz DYHITVHTZJDFGW-GFCCVEGCSA-N -1 0 365.452 -0.211 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000684725711 485013337 /nfs/dbraw/zinc/01/33/37/485013337.db2.gz DYHITVHTZJDFGW-LBPRGKRZSA-N -1 0 365.452 -0.211 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)N(CC(=O)[O-])C2CCOCC2)C1 ZINC000684726504 485013099 /nfs/dbraw/zinc/01/30/99/485013099.db2.gz LKPLXXDMOQKGAF-LLVKDONJSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)N(CC(=O)[O-])C2CCOCC2)C1 ZINC000684726505 485013202 /nfs/dbraw/zinc/01/32/02/485013202.db2.gz LKPLXXDMOQKGAF-NSHDSACASA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)N[C@]2(C(=O)[O-])CCSC2)C1 ZINC000684726639 485012763 /nfs/dbraw/zinc/01/27/63/485012763.db2.gz NECDMYLDBZOEEQ-BXKDBHETSA-N -1 0 351.450 -0.330 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)N[C@@]2(C(=O)[O-])CCSC2)C1 ZINC000684726640 485012715 /nfs/dbraw/zinc/01/27/15/485012715.db2.gz NECDMYLDBZOEEQ-CABZTGNLSA-N -1 0 351.450 -0.330 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)N[C@]2(C(=O)[O-])CCSC2)C1 ZINC000684726641 485013210 /nfs/dbraw/zinc/01/32/10/485013210.db2.gz NECDMYLDBZOEEQ-JOYOIKCWSA-N -1 0 351.450 -0.330 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)N[C@@]2(C(=O)[O-])CCSC2)C1 ZINC000684726642 485012878 /nfs/dbraw/zinc/01/28/78/485012878.db2.gz NECDMYLDBZOEEQ-SKDRFNHKSA-N -1 0 351.450 -0.330 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)NCCCN(CC)S(C)(=O)=O ZINC000684727295 485013393 /nfs/dbraw/zinc/01/33/93/485013393.db2.gz VVUKHDOTDAGFNA-LLVKDONJSA-N -1 0 353.441 -0.211 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)NCCCN(CC)S(C)(=O)=O ZINC000684727296 485013385 /nfs/dbraw/zinc/01/33/85/485013385.db2.gz VVUKHDOTDAGFNA-NSHDSACASA-N -1 0 353.441 -0.211 20 0 FBADRM COC[C@@H](NC(=O)NCCOc1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000684730413 485013315 /nfs/dbraw/zinc/01/33/15/485013315.db2.gz DUMGKVYAWCACHT-GFCCVEGCSA-N -1 0 360.388 -0.132 20 0 FBADRM COC[C@H](NC(=O)NCCOc1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000684730423 485012947 /nfs/dbraw/zinc/01/29/47/485012947.db2.gz DUMGKVYAWCACHT-LBPRGKRZSA-N -1 0 360.388 -0.132 20 0 FBADRM CC(C)(CNC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1)NS(C)(=O)=O ZINC000684731281 485012940 /nfs/dbraw/zinc/01/29/40/485012940.db2.gz DZKPIMJHFYBMCP-NXEZZACHSA-N -1 0 351.425 -0.507 20 0 FBADRM CC(C)(CNC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1)NS(C)(=O)=O ZINC000684731288 485013242 /nfs/dbraw/zinc/01/32/42/485013242.db2.gz DZKPIMJHFYBMCP-UWVGGRQHSA-N -1 0 351.425 -0.507 20 0 FBADRM CC(C)(CNC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1)NS(C)(=O)=O ZINC000684731297 485013235 /nfs/dbraw/zinc/01/32/35/485013235.db2.gz DZKPIMJHFYBMCP-VHSXEESVSA-N -1 0 351.425 -0.507 20 0 FBADRM CC(C)(CNC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1)NS(C)(=O)=O ZINC000684731301 485013085 /nfs/dbraw/zinc/01/30/85/485013085.db2.gz DZKPIMJHFYBMCP-ZJUUUORDSA-N -1 0 351.425 -0.507 20 0 FBADRM CC(C)(CNC(=O)NC1(C(=O)[O-])CCSCC1)NS(C)(=O)=O ZINC000684731575 485012738 /nfs/dbraw/zinc/01/27/38/485012738.db2.gz HIQICVKLDGEUPG-UHFFFAOYSA-N -1 0 353.466 -0.036 20 0 FBADRM CC(C)(CNC(=O)N(CC(=O)[O-])C1CCOCC1)NS(C)(=O)=O ZINC000684731962 485013322 /nfs/dbraw/zinc/01/33/22/485013322.db2.gz KXINUHKAMXLDSU-UHFFFAOYSA-N -1 0 351.425 -0.411 20 0 FBADRM CO[C@@H]1CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)[C@@H](C(=O)[O-])C1 ZINC000684731973 485013293 /nfs/dbraw/zinc/01/32/93/485013293.db2.gz LHDGDRQSGYNTOB-NXEZZACHSA-N -1 0 351.425 -0.412 20 0 FBADRM CO[C@H]1CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)[C@H](C(=O)[O-])C1 ZINC000684731974 485012918 /nfs/dbraw/zinc/01/29/18/485012918.db2.gz LHDGDRQSGYNTOB-UWVGGRQHSA-N -1 0 351.425 -0.412 20 0 FBADRM CO[C@H]1CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)[C@@H](C(=O)[O-])C1 ZINC000684731975 485013300 /nfs/dbraw/zinc/01/33/00/485013300.db2.gz LHDGDRQSGYNTOB-VHSXEESVSA-N -1 0 351.425 -0.412 20 0 FBADRM CO[C@@H]1CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)[C@H](C(=O)[O-])C1 ZINC000684731976 485013312 /nfs/dbraw/zinc/01/33/12/485013312.db2.gz LHDGDRQSGYNTOB-ZJUUUORDSA-N -1 0 351.425 -0.412 20 0 FBADRM CCCN(C(=O)NCC(C)(C)NS(C)(=O)=O)[C@@H](COC)C(=O)[O-] ZINC000684733286 485012932 /nfs/dbraw/zinc/01/29/32/485012932.db2.gz SSPAMTYDTZTXKX-JTQLQIEISA-N -1 0 353.441 -0.165 20 0 FBADRM CCCN(C(=O)NCC(C)(C)NS(C)(=O)=O)[C@H](COC)C(=O)[O-] ZINC000684733288 485012768 /nfs/dbraw/zinc/01/27/68/485012768.db2.gz SSPAMTYDTZTXKX-SNVBAGLBSA-N -1 0 353.441 -0.165 20 0 FBADRM CC(C)(CNC(=O)N[C@H](C(=O)[O-])C1CCOCC1)NS(C)(=O)=O ZINC000684734027 485013378 /nfs/dbraw/zinc/01/33/78/485013378.db2.gz VIUKHKJCMXPILN-JTQLQIEISA-N -1 0 351.425 -0.507 20 0 FBADRM CC(C)(CNC(=O)N[C@@H](C(=O)[O-])C1CCOCC1)NS(C)(=O)=O ZINC000684734030 485012954 /nfs/dbraw/zinc/01/29/54/485012954.db2.gz VIUKHKJCMXPILN-SNVBAGLBSA-N -1 0 351.425 -0.507 20 0 FBADRM O=C([O-])[C@@H](CO)NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000684745313 485013079 /nfs/dbraw/zinc/01/30/79/485013079.db2.gz MXJXDTCRHQNNOC-GFCCVEGCSA-N -1 0 373.387 -0.726 20 0 FBADRM COc1ccc(NC(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)cc1-n1nnnc1C ZINC000684748257 485013419 /nfs/dbraw/zinc/01/34/19/485013419.db2.gz OMXOFTJMFZDKTA-JMCQJSRRSA-N -1 0 350.335 -0.065 20 0 FBADRM COc1ccc(NC(=O)N[C@@H](C(=O)[O-])[C@H](C)O)cc1-n1nnnc1C ZINC000684748260 485012867 /nfs/dbraw/zinc/01/28/67/485012867.db2.gz OMXOFTJMFZDKTA-JVXZTZIISA-N -1 0 350.335 -0.065 20 0 FBADRM COc1ccc(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1-n1nnnc1C ZINC000684748262 485012707 /nfs/dbraw/zinc/01/27/07/485012707.db2.gz OMXOFTJMFZDKTA-KRTXAFLBSA-N -1 0 350.335 -0.065 20 0 FBADRM COc1ccc(NC(=O)N[C@H](C(=O)[O-])[C@H](C)O)cc1-n1nnnc1C ZINC000684748264 485012836 /nfs/dbraw/zinc/01/28/36/485012836.db2.gz OMXOFTJMFZDKTA-MADCSZMMSA-N -1 0 350.335 -0.065 20 0 FBADRM O=C([O-])[C@H](CO)NC(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000684748773 485012855 /nfs/dbraw/zinc/01/28/55/485012855.db2.gz PKYUVMMQMJVYQO-JTQLQIEISA-N -1 0 361.351 -0.167 20 0 FBADRM O=C([O-])[C@@H](CO)NC(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000684748780 485013031 /nfs/dbraw/zinc/01/30/31/485013031.db2.gz PKYUVMMQMJVYQO-SNVBAGLBSA-N -1 0 361.351 -0.167 20 0 FBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)S(=O)(=O)c1ccc(F)cc1 ZINC000684781948 485013060 /nfs/dbraw/zinc/01/30/60/485013060.db2.gz RMCVKZWMZYITNM-UHFFFAOYSA-N -1 0 371.350 -0.528 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000684879814 485016527 /nfs/dbraw/zinc/01/65/27/485016527.db2.gz FEACNUPXYLANDY-UHFFFAOYSA-N -1 0 355.376 -0.947 20 0 FBADRM NC(=O)c1cc(Cl)cc(S(=O)(=O)N(CCO)CCC(=O)[O-])c1 ZINC000684895769 485018148 /nfs/dbraw/zinc/01/81/48/485018148.db2.gz HPNDYBYPAXLNIG-UHFFFAOYSA-N -1 0 350.780 -0.103 20 0 FBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000685022544 485018891 /nfs/dbraw/zinc/01/88/91/485018891.db2.gz WPFGOCXCRVVYIX-QWRGUYRKSA-N -1 0 363.436 -0.858 20 0 FBADRM CC(C)C[C@H](NC(=O)CNC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000685022546 485019480 /nfs/dbraw/zinc/01/94/80/485019480.db2.gz WPFGOCXCRVVYIX-WDEREUQCSA-N -1 0 363.436 -0.858 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)F ZINC000685209785 485037729 /nfs/dbraw/zinc/03/77/29/485037729.db2.gz DKXCVEZEPBCKCN-SSDOTTSWSA-N -1 0 352.381 -0.799 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NC[C@H](CC(=O)[O-])C(F)F ZINC000685209786 485037812 /nfs/dbraw/zinc/03/78/12/485037812.db2.gz DKXCVEZEPBCKCN-ZETCQYMHSA-N -1 0 352.381 -0.799 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)F)c1 ZINC000685209871 485037886 /nfs/dbraw/zinc/03/78/86/485037886.db2.gz XXCZNSNRKFPWTL-SSDOTTSWSA-N -1 0 372.371 -0.032 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)F)c1 ZINC000685209872 485037694 /nfs/dbraw/zinc/03/76/94/485037694.db2.gz XXCZNSNRKFPWTL-ZETCQYMHSA-N -1 0 372.371 -0.032 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000685598423 485067006 /nfs/dbraw/zinc/06/70/06/485067006.db2.gz GEAWMYMEIWZLIV-UHFFFAOYSA-N -1 0 354.388 -0.438 20 0 FBADRM CCN(C)C(=O)c1cccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000685598473 485067230 /nfs/dbraw/zinc/06/72/30/485067230.db2.gz VFZCCDDFLUVUAM-UHFFFAOYSA-N -1 0 354.388 -0.024 20 0 FBADRM O=C1Cc2cc(S(=O)(=O)NCCc3nc(=O)o[n-]3)cc3c2N1CCC3 ZINC000685598497 485067370 /nfs/dbraw/zinc/06/73/70/485067370.db2.gz ZGYCQOICUGSHSS-UHFFFAOYSA-N -1 0 364.383 -0.281 20 0 FBADRM COc1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)cc1NC(C)=O ZINC000685598502 485067289 /nfs/dbraw/zinc/06/72/89/485067289.db2.gz ZOEVVYYBDCWOAN-UHFFFAOYSA-N -1 0 356.360 -0.149 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000685637354 485068570 /nfs/dbraw/zinc/06/85/70/485068570.db2.gz IPWNJWQMQYPNNW-CYBMUJFWSA-N -1 0 368.419 -0.639 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000685637355 485068659 /nfs/dbraw/zinc/06/86/59/485068659.db2.gz IPWNJWQMQYPNNW-ZDUSSCGKSA-N -1 0 368.419 -0.639 20 0 FBADRM O=C(CNS(=O)(=O)c1cccnc1)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000685637418 485068146 /nfs/dbraw/zinc/06/81/46/485068146.db2.gz NQPDYVAWVOWICD-AWEZNQCLSA-N -1 0 373.398 -0.221 20 0 FBADRM O=C(CNS(=O)(=O)c1cccnc1)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000685637419 485068643 /nfs/dbraw/zinc/06/86/43/485068643.db2.gz NQPDYVAWVOWICD-CQSZACIVSA-N -1 0 373.398 -0.221 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCn2cnnc2C1 ZINC000685719159 485068596 /nfs/dbraw/zinc/06/85/96/485068596.db2.gz GBHFUAYVLGTXFN-UHFFFAOYSA-N -1 0 357.342 -0.123 20 0 FBADRM C[C@@H]1CC(=O)NCCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000685759420 485069796 /nfs/dbraw/zinc/06/97/96/485069796.db2.gz KRWWZLFXDGVWQA-SECBINFHSA-N -1 0 361.370 -0.020 20 0 FBADRM C[C@H]1CC(=O)NCCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000685759421 485069286 /nfs/dbraw/zinc/06/92/86/485069286.db2.gz KRWWZLFXDGVWQA-VIFPVBQESA-N -1 0 361.370 -0.020 20 0 FBADRM COc1ccc(S(=O)(=O)NCC(=O)NCc2n[nH]c(=O)[n-]2)cc1OC ZINC000685770848 485069247 /nfs/dbraw/zinc/06/92/47/485069247.db2.gz NRIZBHNEWGELCB-UHFFFAOYSA-N -1 0 371.375 -0.878 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)NCC(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000685770882 485070105 /nfs/dbraw/zinc/07/01/05/485070105.db2.gz RWZMCHUVRTUBEG-UHFFFAOYSA-N -1 0 353.360 -0.692 20 0 FBADRM CN1CCC[C@@H](NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1=O ZINC000685772232 485069408 /nfs/dbraw/zinc/06/94/08/485069408.db2.gz XFKGJHSIZXNVGA-LLVKDONJSA-N -1 0 361.370 -0.020 20 0 FBADRM CN1CCC[C@H](NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1=O ZINC000685772233 485069182 /nfs/dbraw/zinc/06/91/82/485069182.db2.gz XFKGJHSIZXNVGA-NSHDSACASA-N -1 0 361.370 -0.020 20 0 FBADRM COC1CC[NH+](CCNC(=O)CNS(=O)(=O)c2c(C)noc2C)CC1 ZINC000685776555 485071480 /nfs/dbraw/zinc/07/14/80/485071480.db2.gz UCZAPKADUOSKPF-UHFFFAOYSA-N -1 0 374.463 -0.203 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)Nc1nc(C)nn1-c1ccccc1 ZINC000685778995 485070736 /nfs/dbraw/zinc/07/07/36/485070736.db2.gz WIJSWWMYTJKIIL-UHFFFAOYSA-N -1 0 367.431 -0.108 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)NCCCO[C@@H]1CCOC1 ZINC000685781806 485071452 /nfs/dbraw/zinc/07/14/52/485071452.db2.gz XEHPRJDVRNYUBH-GFCCVEGCSA-N -1 0 361.420 -0.118 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)NCCCO[C@H]1CCOC1 ZINC000685781807 485070929 /nfs/dbraw/zinc/07/09/29/485070929.db2.gz XEHPRJDVRNYUBH-LBPRGKRZSA-N -1 0 361.420 -0.118 20 0 FBADRM NC(=O)c1cc(CNC(=O)CNS(=O)(=O)c2ccccc2F)on1 ZINC000685782137 485071466 /nfs/dbraw/zinc/07/14/66/485071466.db2.gz TXVHAEQFCQBLNB-UHFFFAOYSA-N -1 0 356.335 -0.493 20 0 FBADRM COC1(CNC(=O)CNS(=O)(=O)c2c(C)noc2C)CCOCC1 ZINC000685793549 485071160 /nfs/dbraw/zinc/07/11/60/485071160.db2.gz BFQIWFYRNBEJID-UHFFFAOYSA-N -1 0 361.420 -0.118 20 0 FBADRM O=C(CNS(=O)(=O)c1cccnc1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000685795113 485070975 /nfs/dbraw/zinc/07/09/75/485070975.db2.gz PGMUHTZDECZGJI-JTQLQIEISA-N -1 0 351.392 -0.721 20 0 FBADRM O=C(CNS(=O)(=O)c1cccnc1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000685795114 485071218 /nfs/dbraw/zinc/07/12/18/485071218.db2.gz PGMUHTZDECZGJI-SNVBAGLBSA-N -1 0 351.392 -0.721 20 0 FBADRM CNC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)c1c(C)noc1C ZINC000685799700 485071097 /nfs/dbraw/zinc/07/10/97/485071097.db2.gz LLEJOTXGBVGDNT-NSHDSACASA-N -1 0 360.436 -0.153 20 0 FBADRM Cn1nnnc1CCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000685812487 485072050 /nfs/dbraw/zinc/07/20/50/485072050.db2.gz AFPKNUHPXBZDJI-UHFFFAOYSA-N -1 0 360.346 -0.875 20 0 FBADRM C[C@@H]1C(=O)N(C)CCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000685827835 485072211 /nfs/dbraw/zinc/07/22/11/485072211.db2.gz GVBGYNGAQJPYHG-SECBINFHSA-N -1 0 361.370 -0.068 20 0 FBADRM C[C@H]1C(=O)N(C)CCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000685827836 485072442 /nfs/dbraw/zinc/07/24/42/485072442.db2.gz GVBGYNGAQJPYHG-VIFPVBQESA-N -1 0 361.370 -0.068 20 0 FBADRM CN1CC[C@@H](NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CC1=O ZINC000685831000 485072567 /nfs/dbraw/zinc/07/25/67/485072567.db2.gz MVWRUFUMYXBAJI-SECBINFHSA-N -1 0 361.370 -0.020 20 0 FBADRM CN1CC[C@H](NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CC1=O ZINC000685831001 485072155 /nfs/dbraw/zinc/07/21/55/485072155.db2.gz MVWRUFUMYXBAJI-VIFPVBQESA-N -1 0 361.370 -0.020 20 0 FBADRM C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CC(=O)N1C ZINC000685845160 485072180 /nfs/dbraw/zinc/07/21/80/485072180.db2.gz CQBCDFKENMKIEE-SECBINFHSA-N -1 0 361.370 -0.068 20 0 FBADRM C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CC(=O)N1C ZINC000685845161 485072537 /nfs/dbraw/zinc/07/25/37/485072537.db2.gz CQBCDFKENMKIEE-VIFPVBQESA-N -1 0 361.370 -0.068 20 0 FBADRM CCN1CC[C@@H](NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1=O ZINC000685847313 485072266 /nfs/dbraw/zinc/07/22/66/485072266.db2.gz BAQFDQJWVPQISJ-LLVKDONJSA-N -1 0 361.370 -0.020 20 0 FBADRM CCN1CC[C@H](NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1=O ZINC000685847314 485072733 /nfs/dbraw/zinc/07/27/33/485072733.db2.gz BAQFDQJWVPQISJ-NSHDSACASA-N -1 0 361.370 -0.020 20 0 FBADRM NC(=O)C[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000685855714 485073885 /nfs/dbraw/zinc/07/38/85/485073885.db2.gz RXDIHTNEHZLKRP-SECBINFHSA-N -1 0 361.370 -0.033 20 0 FBADRM NC(=O)C[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000685855715 485073662 /nfs/dbraw/zinc/07/36/62/485073662.db2.gz RXDIHTNEHZLKRP-VIFPVBQESA-N -1 0 361.370 -0.033 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)CCOC(F)(F)F)C2)C1 ZINC000685898090 485073714 /nfs/dbraw/zinc/07/37/14/485073714.db2.gz CESLJTXPCZCYBT-BDAKNGLRSA-N -1 0 374.337 -0.140 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)CCOC(F)(F)F)C2)C1 ZINC000685898091 485074147 /nfs/dbraw/zinc/07/41/47/485074147.db2.gz CESLJTXPCZCYBT-DTWKUNHWSA-N -1 0 374.337 -0.140 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)CCOC(F)(F)F)C2)C1 ZINC000685898094 485073965 /nfs/dbraw/zinc/07/39/65/485073965.db2.gz CESLJTXPCZCYBT-IUCAKERBSA-N -1 0 374.337 -0.140 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)CCOC(F)(F)F)C2)C1 ZINC000685898095 485073457 /nfs/dbraw/zinc/07/34/57/485073457.db2.gz CESLJTXPCZCYBT-RKDXNWHRSA-N -1 0 374.337 -0.140 20 0 FBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CCOC(F)(F)F ZINC000685898110 485073874 /nfs/dbraw/zinc/07/38/74/485073874.db2.gz DRBHRAIYJAXEOK-SSDOTTSWSA-N -1 0 369.339 -0.574 20 0 FBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CCOC(F)(F)F ZINC000685898116 485073573 /nfs/dbraw/zinc/07/35/73/485073573.db2.gz DRBHRAIYJAXEOK-ZETCQYMHSA-N -1 0 369.339 -0.574 20 0 FBADRM COCCS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC000687288473 842057041 /nfs/dbraw/zinc/05/70/41/842057041.db2.gz WXEQZXMANQSTDH-JTQLQIEISA-N -1 0 352.409 -0.032 20 0 FBADRM COCCS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000687288477 842058199 /nfs/dbraw/zinc/05/81/99/842058199.db2.gz WXEQZXMANQSTDH-SNVBAGLBSA-N -1 0 352.409 -0.032 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)NCc2n[nH]cc2Br)cn1 ZINC000718120652 600744299 /nfs/dbraw/zinc/74/42/99/600744299.db2.gz QZOMREHJYORMPT-UHFFFAOYSA-N -1 0 364.181 -0.068 20 0 FBADRM CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1ccc2c(c1)nnn2[O-])C(N)=O ZINC000725845036 658236822 /nfs/dbraw/zinc/23/68/22/658236822.db2.gz UFBWSOJUMHTDMR-GFCCVEGCSA-N -1 0 371.375 -1.000 20 0 FBADRM CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccc2c(c1)nnn2[O-])C(N)=O ZINC000725845038 658236940 /nfs/dbraw/zinc/23/69/40/658236940.db2.gz UFBWSOJUMHTDMR-LBPRGKRZSA-N -1 0 371.375 -1.000 20 0 FBADRM O=C([N-]N1CC(=O)NC1=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000725879398 658647544 /nfs/dbraw/zinc/64/75/44/658647544.db2.gz RVOUPTDPCSXBEG-UHFFFAOYSA-N -1 0 355.236 -0.122 20 0 FBADRM CC(=O)N1C[C@H](C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)Oc2ccccc21 ZINC000725893572 658666464 /nfs/dbraw/zinc/66/64/64/658666464.db2.gz KFSVHZUSFOSMKO-LLVKDONJSA-N -1 0 365.371 -0.039 20 0 FBADRM CC(=O)N1C[C@@H](C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)Oc2ccccc21 ZINC000725893575 658666405 /nfs/dbraw/zinc/66/64/05/658666405.db2.gz KFSVHZUSFOSMKO-NSHDSACASA-N -1 0 365.371 -0.039 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CN2c3ccccc3OCCC2=O)n[n-]1 ZINC000725894256 658668247 /nfs/dbraw/zinc/66/82/47/658668247.db2.gz UZFZVMAWYGYCHG-UHFFFAOYSA-N -1 0 365.371 -0.038 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CCNC(=O)OCC(F)(F)F)n[n-]1 ZINC000725894558 658670276 /nfs/dbraw/zinc/67/02/76/658670276.db2.gz WMVUKWNQIVWFRR-UHFFFAOYSA-N -1 0 359.286 -0.175 20 0 FBADRM Cn1cc(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)cn1 ZINC000726323039 658935280 /nfs/dbraw/zinc/93/52/80/658935280.db2.gz WPQKOKZKUPLIHN-UHFFFAOYSA-N -1 0 361.387 -0.342 20 0 FBADRM O=C(CCN1CCCS1(=O)=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000726348129 658935530 /nfs/dbraw/zinc/93/55/30/658935530.db2.gz GIOYGZZOZYFWDN-LLVKDONJSA-N -1 0 354.450 -0.573 20 0 FBADRM O=C(CCN1CCCS1(=O)=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000726348130 658935544 /nfs/dbraw/zinc/93/55/44/658935544.db2.gz GIOYGZZOZYFWDN-NSHDSACASA-N -1 0 354.450 -0.573 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1)c2=O ZINC000726349550 658935387 /nfs/dbraw/zinc/93/53/87/658935387.db2.gz GFYDMBJEUHQHQQ-JTQLQIEISA-N -1 0 369.403 -0.855 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1)c2=O ZINC000726349558 658935412 /nfs/dbraw/zinc/93/54/12/658935412.db2.gz GFYDMBJEUHQHQQ-SNVBAGLBSA-N -1 0 369.403 -0.855 20 0 FBADRM Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)c(=O)n(C)c1=O ZINC000726350460 658935289 /nfs/dbraw/zinc/93/52/89/658935289.db2.gz JZPOGSFCYAVZMR-DGMVEKRQSA-N -1 0 371.415 -0.888 20 0 FBADRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)c(=O)n(C)c1=O ZINC000726350461 658935442 /nfs/dbraw/zinc/93/54/42/658935442.db2.gz JZPOGSFCYAVZMR-NNNHXZLVSA-N -1 0 371.415 -0.888 20 0 FBADRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)c(=O)n(C)c1=O ZINC000726350462 658935523 /nfs/dbraw/zinc/93/55/23/658935523.db2.gz JZPOGSFCYAVZMR-SYTKJHMZSA-N -1 0 371.415 -0.888 20 0 FBADRM Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)c(=O)n(C)c1=O ZINC000726350463 658935349 /nfs/dbraw/zinc/93/53/49/658935349.db2.gz JZPOGSFCYAVZMR-ZHRWSRJISA-N -1 0 371.415 -0.888 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)C1=O ZINC000726351200 658935512 /nfs/dbraw/zinc/93/55/12/658935512.db2.gz CRJNPYGIYJGEBD-ABAIWWIYSA-N -1 0 373.431 -0.278 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)C1=O ZINC000726351207 658935469 /nfs/dbraw/zinc/93/54/69/658935469.db2.gz CRJNPYGIYJGEBD-IAQYHMDHSA-N -1 0 373.431 -0.278 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)C1=O ZINC000726351209 658935446 /nfs/dbraw/zinc/93/54/46/658935446.db2.gz CRJNPYGIYJGEBD-NHYWBVRUSA-N -1 0 373.431 -0.278 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)C1=O ZINC000726351210 658936022 /nfs/dbraw/zinc/93/60/22/658936022.db2.gz CRJNPYGIYJGEBD-XHDPSFHLSA-N -1 0 373.431 -0.278 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000726351249 658935767 /nfs/dbraw/zinc/93/57/67/658935767.db2.gz CUTQAKINDVJESN-NEPJUHHUSA-N -1 0 368.477 -0.184 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000726351251 658935875 /nfs/dbraw/zinc/93/58/75/658935875.db2.gz CUTQAKINDVJESN-NWDGAFQWSA-N -1 0 368.477 -0.184 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000726351256 658935955 /nfs/dbraw/zinc/93/59/55/658935955.db2.gz CUTQAKINDVJESN-RYUDHWBXSA-N -1 0 368.477 -0.184 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000726351263 658935892 /nfs/dbraw/zinc/93/58/92/658935892.db2.gz CUTQAKINDVJESN-VXGBXAGGSA-N -1 0 368.477 -0.184 20 0 FBADRM O=C(Cn1nnc2ccccc2c1=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000726352249 658935720 /nfs/dbraw/zinc/93/57/20/658935720.db2.gz XBWUUSMFJLLUQG-LLVKDONJSA-N -1 0 366.399 -0.193 20 0 FBADRM O=C(Cn1nnc2ccccc2c1=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000726352267 658936008 /nfs/dbraw/zinc/93/60/08/658936008.db2.gz XBWUUSMFJLLUQG-NSHDSACASA-N -1 0 366.399 -0.193 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000726354019 658935922 /nfs/dbraw/zinc/93/59/22/658935922.db2.gz VDEYLOBUEJXPGV-GHMZBOCLSA-N -1 0 354.450 -0.575 20 0 FBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000726354020 658935747 /nfs/dbraw/zinc/93/57/47/658935747.db2.gz VDEYLOBUEJXPGV-MNOVXSKESA-N -1 0 354.450 -0.575 20 0 FBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000726354021 658935933 /nfs/dbraw/zinc/93/59/33/658935933.db2.gz VDEYLOBUEJXPGV-QWRGUYRKSA-N -1 0 354.450 -0.575 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000726354022 658936017 /nfs/dbraw/zinc/93/60/17/658936017.db2.gz VDEYLOBUEJXPGV-WDEREUQCSA-N -1 0 354.450 -0.575 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1cccc2ncccc21)S(C)(=O)=O ZINC000726386930 658935991 /nfs/dbraw/zinc/93/59/91/658935991.db2.gz CLKVGTMECGDADB-UHFFFAOYSA-N -1 0 357.413 -0.069 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)c1cnn(C)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000726729700 658938389 /nfs/dbraw/zinc/93/83/89/658938389.db2.gz OARRSGCEYFXHNP-SECBINFHSA-N -1 0 369.403 -0.522 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cnn(C)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000726729701 658938494 /nfs/dbraw/zinc/93/84/94/658938494.db2.gz OARRSGCEYFXHNP-VIFPVBQESA-N -1 0 369.403 -0.522 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)N1CCCC1)N1C(=O)NC2(CCCC2)C1=O ZINC000726731984 658938374 /nfs/dbraw/zinc/93/83/74/658938374.db2.gz MEVMUJGQGPWRJN-JTQLQIEISA-N -1 0 358.420 -0.304 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)N1CCCC1)N1C(=O)NC2(CCCC2)C1=O ZINC000726731985 658938510 /nfs/dbraw/zinc/93/85/10/658938510.db2.gz MEVMUJGQGPWRJN-SNVBAGLBSA-N -1 0 358.420 -0.304 20 0 FBADRM O=C(NCCO)C1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CC1 ZINC000727125496 659019700 /nfs/dbraw/zinc/01/97/00/659019700.db2.gz VZBLLLUZDHBATN-UHFFFAOYSA-N -1 0 366.443 -0.171 20 0 FBADRM O=C(CN1CCCNC1=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000727184106 659020617 /nfs/dbraw/zinc/02/06/17/659020617.db2.gz DTLSLEUKLAYIGG-UHFFFAOYSA-N -1 0 352.372 -0.033 20 0 FBADRM CN1CC(=O)N(CC(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)C1=O ZINC000727184381 659020853 /nfs/dbraw/zinc/02/08/53/659020853.db2.gz GRBPCAFKAIQURQ-UHFFFAOYSA-N -1 0 366.355 -0.554 20 0 FBADRM O=C(OCC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000727184462 659020982 /nfs/dbraw/zinc/02/09/82/659020982.db2.gz IEPAXXYRSGQLLG-SECBINFHSA-N -1 0 358.397 -0.014 20 0 FBADRM O=C(OCC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@H]1CCS(=O)(=O)C1 ZINC000727184463 659020732 /nfs/dbraw/zinc/02/07/32/659020732.db2.gz IEPAXXYRSGQLLG-VIFPVBQESA-N -1 0 358.397 -0.014 20 0 FBADRM CN(CC(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1)S(C)(=O)=O ZINC000727186025 659020925 /nfs/dbraw/zinc/02/09/25/659020925.db2.gz RYDIPGRLXIBCII-UHFFFAOYSA-N -1 0 361.401 -0.557 20 0 FBADRM CS(=O)(=O)NCCC(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000727186145 659020878 /nfs/dbraw/zinc/02/08/78/659020878.db2.gz YHJMFZOFAPUUQZ-UHFFFAOYSA-N -1 0 361.401 -0.509 20 0 FBADRM O=C(CN1CCCS1(=O)=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000727186397 659020893 /nfs/dbraw/zinc/02/08/93/659020893.db2.gz KPLJQUDRUCMAKJ-UHFFFAOYSA-N -1 0 373.412 -0.413 20 0 FBADRM O=C(OCC1=Nc2ccccc2S(=O)(=O)[N-]1)C1CC(=O)NC(=O)C1 ZINC000727190166 659021668 /nfs/dbraw/zinc/02/16/68/659021668.db2.gz LRKIGYQNCQFSHY-UHFFFAOYSA-N -1 0 351.340 -0.396 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cnn(C)c2C(F)F)cc1C(N)=O ZINC000727624883 659036563 /nfs/dbraw/zinc/03/65/63/659036563.db2.gz FZJFUYHOWLXBIZ-UHFFFAOYSA-N -1 0 361.330 -0.086 20 0 FBADRM COCCS(=O)(=O)CCCN1[N-]S(=O)(=O)c2ccccc2C1=O ZINC000727690289 659039962 /nfs/dbraw/zinc/03/99/62/659039962.db2.gz VWAIDERPJQNBSK-UHFFFAOYSA-N -1 0 362.429 -0.213 20 0 FBADRM CCn1c(=O)c2ccc(C(=O)N(CC(N)=O)CC(N)=O)cc2[n-]c1=S ZINC000727752066 659042894 /nfs/dbraw/zinc/04/28/94/659042894.db2.gz YNGTZQIMFAHZSD-UHFFFAOYSA-N -1 0 363.399 -0.882 20 0 FBADRM Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000727951919 659079026 /nfs/dbraw/zinc/07/90/26/659079026.db2.gz POGAQFWZIZVCSM-UHFFFAOYSA-N -1 0 362.371 -0.406 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCN2CCCC2=O)c1 ZINC000727954859 659079930 /nfs/dbraw/zinc/07/99/30/659079930.db2.gz OCWZFVFOQFXNBH-UHFFFAOYSA-N -1 0 374.440 -0.093 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)s2)cc1C(N)=O ZINC000728148252 659861293 /nfs/dbraw/zinc/86/12/93/659861293.db2.gz WWVJAGTYKXARNJ-UHFFFAOYSA-N -1 0 356.385 -0.597 20 0 FBADRM Cc1cc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)ccc1S(N)(=O)=O ZINC000728184220 659864208 /nfs/dbraw/zinc/86/42/08/659864208.db2.gz CNKPVDDQYZVYLP-UHFFFAOYSA-N -1 0 372.428 -0.119 20 0 FBADRM COCCN1C(=O)c2ccc(C(=O)Nc3nnn[n-]3)cc2S1(=O)=O ZINC000728208222 659865149 /nfs/dbraw/zinc/86/51/49/659865149.db2.gz KMGBFPNIYLQONN-UHFFFAOYSA-N -1 0 352.332 -0.757 20 0 FBADRM O=C(Cn1ccc(=O)[nH]c1=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000728320509 659867311 /nfs/dbraw/zinc/86/73/11/659867311.db2.gz MIPWMBIXOUKVPT-UHFFFAOYSA-N -1 0 364.339 -0.486 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000728502792 599981144 /nfs/dbraw/zinc/98/11/44/599981144.db2.gz QJEIWWHTIIVSLW-UHFFFAOYSA-N -1 0 352.781 -0.472 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000728759402 659876968 /nfs/dbraw/zinc/87/69/68/659876968.db2.gz BHZYMDIYSMRGFO-AWEZNQCLSA-N -1 0 367.427 -0.073 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000728759405 659876991 /nfs/dbraw/zinc/87/69/91/659876991.db2.gz BHZYMDIYSMRGFO-CQSZACIVSA-N -1 0 367.427 -0.073 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000728759521 659877038 /nfs/dbraw/zinc/87/70/38/659877038.db2.gz DWBZACVUUTTZKW-CYBMUJFWSA-N -1 0 371.390 -0.242 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000728759524 659876971 /nfs/dbraw/zinc/87/69/71/659876971.db2.gz DWBZACVUUTTZKW-ZDUSSCGKSA-N -1 0 371.390 -0.242 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000728759793 659877128 /nfs/dbraw/zinc/87/71/28/659877128.db2.gz JRVDUYNSHCQWFC-JTQLQIEISA-N -1 0 359.429 -0.320 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000728759794 659877065 /nfs/dbraw/zinc/87/70/65/659877065.db2.gz JRVDUYNSHCQWFC-SNVBAGLBSA-N -1 0 359.429 -0.320 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000728760725 659877015 /nfs/dbraw/zinc/87/70/15/659877015.db2.gz SVNORSQREVTNLN-LLVKDONJSA-N -1 0 372.403 -0.777 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000728760730 659876917 /nfs/dbraw/zinc/87/69/17/659876917.db2.gz SVNORSQREVTNLN-NSHDSACASA-N -1 0 372.403 -0.777 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000728761173 659876900 /nfs/dbraw/zinc/87/69/00/659876900.db2.gz ZWISYNRQRGITIA-CYBMUJFWSA-N -1 0 367.427 -0.073 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000728761174 659876953 /nfs/dbraw/zinc/87/69/53/659876953.db2.gz ZWISYNRQRGITIA-ZDUSSCGKSA-N -1 0 367.427 -0.073 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000728761553 659876976 /nfs/dbraw/zinc/87/69/76/659876976.db2.gz RQNRBCDSQRRKQZ-CYBMUJFWSA-N -1 0 353.400 -0.381 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000728761554 659876984 /nfs/dbraw/zinc/87/69/84/659876984.db2.gz RQNRBCDSQRRKQZ-ZDUSSCGKSA-N -1 0 353.400 -0.381 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000728762347 659877090 /nfs/dbraw/zinc/87/70/90/659877090.db2.gz FVRFJBDKQQZLFI-AWEZNQCLSA-N -1 0 367.427 -0.073 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000728762348 659876920 /nfs/dbraw/zinc/87/69/20/659876920.db2.gz FVRFJBDKQQZLFI-CQSZACIVSA-N -1 0 367.427 -0.073 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000728762353 659877121 /nfs/dbraw/zinc/87/71/21/659877121.db2.gz GDQKITWJVHOFEI-GFCCVEGCSA-N -1 0 354.388 -0.986 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000728762354 659877074 /nfs/dbraw/zinc/87/70/74/659877074.db2.gz GDQKITWJVHOFEI-LBPRGKRZSA-N -1 0 354.388 -0.986 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000728762607 659877084 /nfs/dbraw/zinc/87/70/84/659877084.db2.gz UBBGHEKBKHURQH-LLVKDONJSA-N -1 0 373.456 -0.011 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000728762608 659876924 /nfs/dbraw/zinc/87/69/24/659876924.db2.gz UBBGHEKBKHURQH-NSHDSACASA-N -1 0 373.456 -0.011 20 0 FBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2C)cn1 ZINC000728762728 659877007 /nfs/dbraw/zinc/87/70/07/659877007.db2.gz ZMFDOBNFGXMUOL-UHFFFAOYSA-N -1 0 351.388 -0.090 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000728763793 659877079 /nfs/dbraw/zinc/87/70/79/659877079.db2.gz CMQNNMIBDLOXHH-GFCCVEGCSA-N -1 0 371.390 -0.242 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000728763794 659877118 /nfs/dbraw/zinc/87/71/18/659877118.db2.gz CMQNNMIBDLOXHH-LBPRGKRZSA-N -1 0 371.390 -0.242 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000728763874 659876973 /nfs/dbraw/zinc/87/69/73/659876973.db2.gz IDQBSRQORACXCI-AWEZNQCLSA-N -1 0 367.427 -0.240 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000728763875 659877102 /nfs/dbraw/zinc/87/71/02/659877102.db2.gz IDQBSRQORACXCI-CQSZACIVSA-N -1 0 367.427 -0.240 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000728769898 659877483 /nfs/dbraw/zinc/87/74/83/659877483.db2.gz LMJCLPKWEZBNCF-CYBMUJFWSA-N -1 0 359.448 -0.108 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000728769901 659877518 /nfs/dbraw/zinc/87/75/18/659877518.db2.gz LMJCLPKWEZBNCF-ZDUSSCGKSA-N -1 0 359.448 -0.108 20 0 FBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)cn1 ZINC000728770900 659877532 /nfs/dbraw/zinc/87/75/32/659877532.db2.gz ZIVDJTDAXPKNRQ-UHFFFAOYSA-N -1 0 357.779 -0.053 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCCN(CC(N)=O)CC1 ZINC000728869491 659891888 /nfs/dbraw/zinc/89/18/88/659891888.db2.gz LMLYNHZJWCCWEL-UHFFFAOYSA-N -1 0 372.422 -0.170 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)N2CCCCC2)C1 ZINC000729076994 659920366 /nfs/dbraw/zinc/92/03/66/659920366.db2.gz NWQYOTTVEDLISH-GFCCVEGCSA-N -1 0 367.493 -0.105 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)N2CCCCC2)C1 ZINC000729076995 659920288 /nfs/dbraw/zinc/92/02/88/659920288.db2.gz NWQYOTTVEDLISH-LBPRGKRZSA-N -1 0 367.493 -0.105 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)N2CCCC2)C1 ZINC000729077433 659920340 /nfs/dbraw/zinc/92/03/40/659920340.db2.gz XZKQGKXFEQPRRK-LLVKDONJSA-N -1 0 353.466 -0.495 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)N2CCCC2)C1 ZINC000729077434 659920368 /nfs/dbraw/zinc/92/03/68/659920368.db2.gz XZKQGKXFEQPRRK-NSHDSACASA-N -1 0 353.466 -0.495 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)CC1=O ZINC000729092999 659920556 /nfs/dbraw/zinc/92/05/56/659920556.db2.gz LMNPFNRACNKVKC-MRVPVSSYSA-N -1 0 364.811 -0.627 20 0 FBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)CC1=O ZINC000729093001 659920532 /nfs/dbraw/zinc/92/05/32/659920532.db2.gz LMNPFNRACNKVKC-QMMMGPOBSA-N -1 0 364.811 -0.627 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)nnn3C)cc1C(N)=O ZINC000729183991 659921275 /nfs/dbraw/zinc/92/12/75/659921275.db2.gz PKLLAHDJPGUZLD-UHFFFAOYSA-N -1 0 362.371 -0.476 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2ccc(=O)n(C)c2)CC1 ZINC000729187701 659921238 /nfs/dbraw/zinc/92/12/38/659921238.db2.gz AVHLPVWRAUSNDN-UHFFFAOYSA-N -1 0 357.388 -0.755 20 0 FBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000729188668 659921555 /nfs/dbraw/zinc/92/15/55/659921555.db2.gz KLEHNNOTLMYNFS-UHFFFAOYSA-N -1 0 353.404 -0.280 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000729189302 659921522 /nfs/dbraw/zinc/92/15/22/659921522.db2.gz QUGUNJPPEPKQQG-LLVKDONJSA-N -1 0 373.431 -0.757 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000729189303 659921557 /nfs/dbraw/zinc/92/15/57/659921557.db2.gz QUGUNJPPEPKQQG-NSHDSACASA-N -1 0 373.431 -0.757 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(CNC(N)=O)cc2)ccc1=O ZINC000729191283 659921483 /nfs/dbraw/zinc/92/14/83/659921483.db2.gz XJURZLYSYKPTGQ-UHFFFAOYSA-N -1 0 364.383 -0.328 20 0 FBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000729199528 659921541 /nfs/dbraw/zinc/92/15/41/659921541.db2.gz IAORLXISRHFPNV-LLVKDONJSA-N -1 0 368.415 -0.111 20 0 FBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000729199530 659921573 /nfs/dbraw/zinc/92/15/73/659921573.db2.gz IAORLXISRHFPNV-NSHDSACASA-N -1 0 368.415 -0.111 20 0 FBADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)c3cn[nH]n3)ncnc1-2 ZINC000729461098 659963392 /nfs/dbraw/zinc/96/33/92/659963392.db2.gz OHNBBYBUQZAUNB-UHFFFAOYSA-N -1 0 366.183 -0.541 20 0 FBADRM CC(=O)NCC(=O)NCCN=c1ncnc2n(C)[n-]c(Br)c1-2 ZINC000729542882 659967361 /nfs/dbraw/zinc/96/73/61/659967361.db2.gz RDIYHHILLHICON-UHFFFAOYSA-N -1 0 370.211 -0.837 20 0 FBADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)NCCO)ncnc1-2 ZINC000729562153 659967529 /nfs/dbraw/zinc/96/75/29/659967529.db2.gz PEAPTYFRNGEDML-UHFFFAOYSA-N -1 0 358.200 -0.797 20 0 FBADRM COCCNC(=O)NCCN=c1ncnc2n(C)[n-]c(Br)c1-2 ZINC000729581432 659967546 /nfs/dbraw/zinc/96/75/46/659967546.db2.gz RHIXRNBAUBMAGS-UHFFFAOYSA-N -1 0 372.227 -0.143 20 0 FBADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)NCCCO)ncnc1-2 ZINC000729625010 659968396 /nfs/dbraw/zinc/96/83/96/659968396.db2.gz JRHZVPWAZAAZQA-UHFFFAOYSA-N -1 0 372.227 -0.407 20 0 FBADRM C[C@H](CO)NC(=O)NCCN=c1ncnc2n(C)[n-]c(Br)c1-2 ZINC000729625286 659968460 /nfs/dbraw/zinc/96/84/60/659968460.db2.gz QYNRJSUAXLNDCN-SSDOTTSWSA-N -1 0 372.227 -0.409 20 0 FBADRM C[C@@H](CO)NC(=O)NCCN=c1ncnc2n(C)[n-]c(Br)c1-2 ZINC000729625287 659968389 /nfs/dbraw/zinc/96/83/89/659968389.db2.gz QYNRJSUAXLNDCN-ZETCQYMHSA-N -1 0 372.227 -0.409 20 0 FBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)N1CCCc2ccccc21 ZINC000729790861 659969851 /nfs/dbraw/zinc/96/98/51/659969851.db2.gz CHCHLVXWBIHTKH-UHFFFAOYSA-N -1 0 373.456 -0.164 20 0 FBADRM COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000729886727 659970563 /nfs/dbraw/zinc/97/05/63/659970563.db2.gz KHZUVGXYONPYBN-UHFFFAOYSA-N -1 0 360.392 -0.593 20 0 FBADRM CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000729886969 659970603 /nfs/dbraw/zinc/97/06/03/659970603.db2.gz NYJVONKYUHIQGA-LLVKDONJSA-N -1 0 369.403 -0.091 20 0 FBADRM CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000729886970 659970587 /nfs/dbraw/zinc/97/05/87/659970587.db2.gz NYJVONKYUHIQGA-NSHDSACASA-N -1 0 369.403 -0.091 20 0 FBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000729887289 659970571 /nfs/dbraw/zinc/97/05/71/659970571.db2.gz RFHRIFXOIHCAHZ-UHFFFAOYSA-N -1 0 352.376 -0.617 20 0 FBADRM CCOCCOCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000729887677 659970523 /nfs/dbraw/zinc/97/05/23/659970523.db2.gz ZROKGYJNPLAZPU-UHFFFAOYSA-N -1 0 355.376 -0.480 20 0 FBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000729890949 659970547 /nfs/dbraw/zinc/97/05/47/659970547.db2.gz LLELUYBLRWQJRN-UHFFFAOYSA-N -1 0 362.429 -0.189 20 0 FBADRM CCOCCOCC(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000729891168 659970502 /nfs/dbraw/zinc/97/05/02/659970502.db2.gz MBQSDUVFFBQUDZ-UHFFFAOYSA-N -1 0 365.429 -0.052 20 0 FBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000729891194 659970579 /nfs/dbraw/zinc/97/05/79/659970579.db2.gz OLPLJSIERINITA-UHFFFAOYSA-N -1 0 366.403 -0.402 20 0 FBADRM CCOCCOCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000729891518 659970590 /nfs/dbraw/zinc/97/05/90/659970590.db2.gz UMUIJLZXUOVXCS-UHFFFAOYSA-N -1 0 369.403 -0.265 20 0 FBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000729892759 659970615 /nfs/dbraw/zinc/97/06/15/659970615.db2.gz JSYGYOUYBXZRQB-UHFFFAOYSA-N -1 0 356.404 -0.424 20 0 FBADRM CCOCCOCC(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000729893068 659970499 /nfs/dbraw/zinc/97/04/99/659970499.db2.gz WINKHFOLGRASOH-UHFFFAOYSA-N -1 0 359.404 -0.287 20 0 FBADRM CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000729893226 659970597 /nfs/dbraw/zinc/97/05/97/659970597.db2.gz CTBZAZFGRWZIQT-LLVKDONJSA-N -1 0 366.436 -0.326 20 0 FBADRM CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000729893227 659970559 /nfs/dbraw/zinc/97/05/59/659970559.db2.gz CTBZAZFGRWZIQT-NSHDSACASA-N -1 0 366.436 -0.326 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CCCn2cccn2)CC1 ZINC000729893455 659970521 /nfs/dbraw/zinc/97/05/21/659970521.db2.gz KKQZANXEDKPMJY-UHFFFAOYSA-N -1 0 358.420 -0.091 20 0 FBADRM CCOCCOCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000729894516 659970605 /nfs/dbraw/zinc/97/06/05/659970605.db2.gz YMFFIOBLVDFTBB-UHFFFAOYSA-N -1 0 352.409 -0.715 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)N2CCCc3ccccc32)c(=O)[nH]c1=O ZINC000729896552 659970544 /nfs/dbraw/zinc/97/05/44/659970544.db2.gz OFFHSNPXISOXQX-UHFFFAOYSA-N -1 0 364.383 -0.087 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)N2CCc3ccccc3C2)c(=O)[nH]c1=O ZINC000729898408 659970535 /nfs/dbraw/zinc/97/05/35/659970535.db2.gz QHWBDFWGVGXYGX-UHFFFAOYSA-N -1 0 364.383 -0.481 20 0 FBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)N1CCc2ccccc2C1 ZINC000729898478 659970552 /nfs/dbraw/zinc/97/05/52/659970552.db2.gz URLGOESAQSGAIA-UHFFFAOYSA-N -1 0 373.456 -0.559 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)N2CCc3sccc3C2)c(=O)[nH]c1=O ZINC000729898693 659970612 /nfs/dbraw/zinc/97/06/12/659970612.db2.gz DXZRJVNRTPYZRI-UHFFFAOYSA-N -1 0 370.412 -0.420 20 0 FBADRM O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)N1CCc2ccccc2C1 ZINC000729899901 659970577 /nfs/dbraw/zinc/97/05/77/659970577.db2.gz DQUSCGLRTPOVRE-UHFFFAOYSA-N -1 0 365.411 -0.055 20 0 FBADRM O=C(CCCN1C(=O)CNC1=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000729901839 659970505 /nfs/dbraw/zinc/97/05/05/659970505.db2.gz IDIIAANLAHMCPO-UHFFFAOYSA-N -1 0 366.399 -0.258 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)CC1=O ZINC000729902039 659970542 /nfs/dbraw/zinc/97/05/42/659970542.db2.gz LLCYMFJPGQUZSI-CYBMUJFWSA-N -1 0 367.427 -0.095 20 0 FBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)CC1=O ZINC000729902042 659970600 /nfs/dbraw/zinc/97/06/00/659970600.db2.gz LLCYMFJPGQUZSI-ZDUSSCGKSA-N -1 0 367.427 -0.095 20 0 FBADRM O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000729902806 659970491 /nfs/dbraw/zinc/97/04/91/659970491.db2.gz XUCRKLPNDMZNPO-UHFFFAOYSA-N -1 0 351.384 -0.051 20 0 FBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000729903020 659970540 /nfs/dbraw/zinc/97/05/40/659970540.db2.gz NUBLIFHTNYQBDQ-UHFFFAOYSA-N -1 0 359.429 -0.554 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)c(=O)[nH]c1=O ZINC000729903303 659970621 /nfs/dbraw/zinc/97/06/21/659970621.db2.gz UWQLMCYILZPHKF-UHFFFAOYSA-N -1 0 350.356 -0.477 20 0 FBADRM O=C(CCN1CCCS1(=O)=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000729903314 659970566 /nfs/dbraw/zinc/97/05/66/659970566.db2.gz VRFUEESIJGQSGC-UHFFFAOYSA-N -1 0 373.456 -0.164 20 0 FBADRM CCCCN(CCCC)S(=O)(=O)[N-]C(=O)Cn1ccc(=O)n(C)c1=O ZINC000729903648 659970530 /nfs/dbraw/zinc/97/05/30/659970530.db2.gz DACKUVOLVGLSTK-UHFFFAOYSA-N -1 0 374.463 -0.190 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)N(C)C(C)C)C1 ZINC000729912286 659970844 /nfs/dbraw/zinc/97/08/44/659970844.db2.gz SIWWLWWIGGDGJZ-LLVKDONJSA-N -1 0 355.482 -0.251 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)N(C)C(C)C)C1 ZINC000729912287 659970759 /nfs/dbraw/zinc/97/07/59/659970759.db2.gz SIWWLWWIGGDGJZ-NSHDSACASA-N -1 0 355.482 -0.251 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000729913478 659970715 /nfs/dbraw/zinc/97/07/15/659970715.db2.gz DSLISGQCJVJKCQ-UHFFFAOYSA-N -1 0 353.422 -0.155 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)N(C)C(C)C)ccc1OCC(N)=O ZINC000729913528 659970813 /nfs/dbraw/zinc/97/08/13/659970813.db2.gz XDPJFUNWXODYTR-UHFFFAOYSA-N -1 0 359.404 -0.126 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000729913548 659970839 /nfs/dbraw/zinc/97/08/39/659970839.db2.gz XKCNLTBCWGGHJX-UHFFFAOYSA-N -1 0 362.433 -0.815 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)N(C)C(C)C)CC1 ZINC000729913681 659970710 /nfs/dbraw/zinc/97/07/10/659970710.db2.gz ZUSBZJXZMTVIMX-UHFFFAOYSA-N -1 0 355.482 -0.251 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000729913769 659970801 /nfs/dbraw/zinc/97/08/01/659970801.db2.gz HNRTYUXGJKWSLM-JTQLQIEISA-N -1 0 360.436 -0.059 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000729913770 659970787 /nfs/dbraw/zinc/97/07/87/659970787.db2.gz HNRTYUXGJKWSLM-SNVBAGLBSA-N -1 0 360.436 -0.059 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)CCn1nnc2ccccc2c1=O ZINC000729914222 659970730 /nfs/dbraw/zinc/97/07/30/659970730.db2.gz CHKSIOAZWPKMHH-UHFFFAOYSA-N -1 0 353.404 -0.117 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000729914871 659970773 /nfs/dbraw/zinc/97/07/73/659970773.db2.gz NFZIOKCCKOQJGS-CYBMUJFWSA-N -1 0 367.431 -0.192 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000729914874 659970746 /nfs/dbraw/zinc/97/07/46/659970746.db2.gz NFZIOKCCKOQJGS-ZDUSSCGKSA-N -1 0 367.431 -0.192 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000729914885 659970827 /nfs/dbraw/zinc/97/08/27/659970827.db2.gz NNCSUZHTQNVGAW-UHFFFAOYSA-N -1 0 360.436 -0.058 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000729915035 659970733 /nfs/dbraw/zinc/97/07/33/659970733.db2.gz WHTHDYNTHJVAIN-UHFFFAOYSA-N -1 0 364.449 -0.597 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000729916513 659970783 /nfs/dbraw/zinc/97/07/83/659970783.db2.gz RYQZNAACOWURQL-UHFFFAOYSA-N -1 0 360.436 -0.058 20 0 FBADRM O=C(CSc1nnnn1CC(F)(F)F)[N-]S(=O)(=O)N1CCCC1 ZINC000730073294 659986491 /nfs/dbraw/zinc/98/64/91/659986491.db2.gz BUEHNUKIZJQEIM-UHFFFAOYSA-N -1 0 374.370 -0.216 20 0 FBADRM Cc1ccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1S(N)(=O)=O ZINC000730516128 660133927 /nfs/dbraw/zinc/13/39/27/660133927.db2.gz IBAHKMLLMMODNP-UHFFFAOYSA-N -1 0 362.371 -0.334 20 0 FBADRM CNS(=O)(=O)c1ccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1 ZINC000730517688 660133941 /nfs/dbraw/zinc/13/39/41/660133941.db2.gz QEDUSXAWGUVYRC-UHFFFAOYSA-N -1 0 362.371 -0.382 20 0 FBADRM CCOC(=O)[C@@H]1CSCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730524742 660133917 /nfs/dbraw/zinc/13/39/17/660133917.db2.gz WXGFRNFYPDFBFZ-JTQLQIEISA-N -1 0 351.388 -0.422 20 0 FBADRM CCOC(=O)[C@H]1CSCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730524743 660133860 /nfs/dbraw/zinc/13/38/60/660133860.db2.gz WXGFRNFYPDFBFZ-SNVBAGLBSA-N -1 0 351.388 -0.422 20 0 FBADRM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730525704 660133879 /nfs/dbraw/zinc/13/38/79/660133879.db2.gz HFYDFVKGHFPPSF-JTQLQIEISA-N -1 0 368.419 -0.999 20 0 FBADRM CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730525705 660133835 /nfs/dbraw/zinc/13/38/35/660133835.db2.gz HFYDFVKGHFPPSF-SNVBAGLBSA-N -1 0 368.419 -0.999 20 0 FBADRM CN(C)C(=O)CN(CC(F)(F)F)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730531237 660134630 /nfs/dbraw/zinc/13/46/30/660134630.db2.gz RLGXMNFTPZXSAX-UHFFFAOYSA-N -1 0 360.296 -0.450 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCS(=O)(=O)c1ccccc1 ZINC000730533965 660135575 /nfs/dbraw/zinc/13/55/75/660135575.db2.gz OOKKMDSFDTVNNT-UHFFFAOYSA-N -1 0 361.383 -0.339 20 0 FBADRM CCCCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H]1CCS(=O)(=O)C1 ZINC000730534425 660135849 /nfs/dbraw/zinc/13/58/49/660135849.db2.gz CHNRGMHZRFMCIZ-LLVKDONJSA-N -1 0 367.431 -0.113 20 0 FBADRM CCCCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H]1CCS(=O)(=O)C1 ZINC000730534430 660135921 /nfs/dbraw/zinc/13/59/21/660135921.db2.gz CHNRGMHZRFMCIZ-NSHDSACASA-N -1 0 367.431 -0.113 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCN(Cc2cscn2)CC1 ZINC000730536196 660135796 /nfs/dbraw/zinc/13/57/96/660135796.db2.gz SRKKWQAZVRRRAJ-UHFFFAOYSA-N -1 0 359.415 -0.128 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000730540670 660135802 /nfs/dbraw/zinc/13/58/02/660135802.db2.gz FATUAYAWLFUBAI-LLVKDONJSA-N -1 0 362.415 -0.405 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CSC[C@H]1C(=O)N1CCCC1 ZINC000730540671 660135880 /nfs/dbraw/zinc/13/58/80/660135880.db2.gz FATUAYAWLFUBAI-NSHDSACASA-N -1 0 362.415 -0.405 20 0 FBADRM CC(C)CNC(=O)[C@H]1CSCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730540674 660135815 /nfs/dbraw/zinc/13/58/15/660135815.db2.gz FGFZVKXIEFXTFL-LLVKDONJSA-N -1 0 364.431 -0.255 20 0 FBADRM CC(C)CNC(=O)[C@@H]1CSCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730540675 660135925 /nfs/dbraw/zinc/13/59/25/660135925.db2.gz FGFZVKXIEFXTFL-NSHDSACASA-N -1 0 364.431 -0.255 20 0 FBADRM CCN(C)C(=O)[C@@H]1CSCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730541370 660135907 /nfs/dbraw/zinc/13/59/07/660135907.db2.gz ODGTVQREYVENJC-JTQLQIEISA-N -1 0 350.404 -0.549 20 0 FBADRM CCN(C)C(=O)[C@H]1CSCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730541371 660135827 /nfs/dbraw/zinc/13/58/27/660135827.db2.gz ODGTVQREYVENJC-SNVBAGLBSA-N -1 0 350.404 -0.549 20 0 FBADRM CN(C(=O)[C@H]1CSCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1 ZINC000730541514 660136084 /nfs/dbraw/zinc/13/60/84/660136084.db2.gz LMYSKEYBZGKUMY-LLVKDONJSA-N -1 0 362.415 -0.407 20 0 FBADRM CN(C(=O)[C@@H]1CSCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1 ZINC000730541516 660136164 /nfs/dbraw/zinc/13/61/64/660136164.db2.gz LMYSKEYBZGKUMY-NSHDSACASA-N -1 0 362.415 -0.407 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CSC[C@@H]1C(=O)NCC1CC1 ZINC000730541993 660136147 /nfs/dbraw/zinc/13/61/47/660136147.db2.gz OZWBWPGEUHEJBN-LLVKDONJSA-N -1 0 362.415 -0.501 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CSC[C@H]1C(=O)NCC1CC1 ZINC000730541994 660136151 /nfs/dbraw/zinc/13/61/51/660136151.db2.gz OZWBWPGEUHEJBN-NSHDSACASA-N -1 0 362.415 -0.501 20 0 FBADRM CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730541999 660136149 /nfs/dbraw/zinc/13/61/49/660136149.db2.gz PCHRDHIXNXXUFV-GXSJLCMTSA-N -1 0 364.431 -0.113 20 0 FBADRM CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730542000 660136169 /nfs/dbraw/zinc/13/61/69/660136169.db2.gz PCHRDHIXNXXUFV-KOLCDFICSA-N -1 0 364.431 -0.113 20 0 FBADRM CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730542001 660136105 /nfs/dbraw/zinc/13/61/05/660136105.db2.gz PCHRDHIXNXXUFV-MWLCHTKSSA-N -1 0 364.431 -0.113 20 0 FBADRM CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730542002 660136080 /nfs/dbraw/zinc/13/60/80/660136080.db2.gz PCHRDHIXNXXUFV-ONGXEEELSA-N -1 0 364.431 -0.113 20 0 FBADRM CCCCNC(=O)[C@H]1CSCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730542028 660136157 /nfs/dbraw/zinc/13/61/57/660136157.db2.gz POXNUPYJDNUROH-LLVKDONJSA-N -1 0 364.431 -0.111 20 0 FBADRM CCCCNC(=O)[C@@H]1CSCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730542029 660136071 /nfs/dbraw/zinc/13/60/71/660136071.db2.gz POXNUPYJDNUROH-NSHDSACASA-N -1 0 364.431 -0.111 20 0 FBADRM CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730542083 660136161 /nfs/dbraw/zinc/13/61/61/660136161.db2.gz RKCJCJDECDJAJR-JTQLQIEISA-N -1 0 364.431 -0.113 20 0 FBADRM CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730542084 660136133 /nfs/dbraw/zinc/13/61/33/660136133.db2.gz RKCJCJDECDJAJR-SNVBAGLBSA-N -1 0 364.431 -0.113 20 0 FBADRM CCN(CC)C(=O)[C@H]1CSCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730542265 660136092 /nfs/dbraw/zinc/13/60/92/660136092.db2.gz RBWIPWDZAWOSQS-LLVKDONJSA-N -1 0 364.431 -0.159 20 0 FBADRM CCN(CC)C(=O)[C@@H]1CSCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730542266 660136124 /nfs/dbraw/zinc/13/61/24/660136124.db2.gz RBWIPWDZAWOSQS-NSHDSACASA-N -1 0 364.431 -0.159 20 0 FBADRM CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730542370 660136139 /nfs/dbraw/zinc/13/61/39/660136139.db2.gz UGSHFHQPZVMDPV-LLVKDONJSA-N -1 0 364.431 -0.161 20 0 FBADRM CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730542372 660136115 /nfs/dbraw/zinc/13/61/15/660136115.db2.gz UGSHFHQPZVMDPV-NSHDSACASA-N -1 0 364.431 -0.161 20 0 FBADRM CCCN(C)C(=O)[C@H]1CSCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730543875 660135782 /nfs/dbraw/zinc/13/57/82/660135782.db2.gz OBOQYGKCYJCTDB-LLVKDONJSA-N -1 0 364.431 -0.159 20 0 FBADRM CCCN(C)C(=O)[C@@H]1CSCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730543976 660135809 /nfs/dbraw/zinc/13/58/09/660135809.db2.gz OBOQYGKCYJCTDB-NSHDSACASA-N -1 0 364.431 -0.159 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)OCCNS(C)(=O)=O ZINC000730599466 660137039 /nfs/dbraw/zinc/13/70/39/660137039.db2.gz AAZRROZSIUFZNI-UHFFFAOYSA-N -1 0 354.381 -0.097 20 0 FBADRM CS(=O)(=O)[N-]c1cc(F)ccc1C(=O)OCCNS(C)(=O)=O ZINC000730604139 660137588 /nfs/dbraw/zinc/13/75/88/660137588.db2.gz PAGKBHZTUZEKSU-UHFFFAOYSA-N -1 0 354.381 -0.097 20 0 FBADRM O=C(COC(=O)Cn1[n-]cc2c(=O)ncnc1-2)NC(=O)c1cccs1 ZINC000730656970 660137682 /nfs/dbraw/zinc/13/76/82/660137682.db2.gz MFTHOHPCWFDIDQ-UHFFFAOYSA-N -1 0 361.339 -0.368 20 0 FBADRM CC(C)(C)NC(=O)NC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730657169 660137718 /nfs/dbraw/zinc/13/77/18/660137718.db2.gz NPQRABOTMINKLN-UHFFFAOYSA-N -1 0 350.335 -0.761 20 0 FBADRM CC(C)CNC(=O)NC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730657849 660137762 /nfs/dbraw/zinc/13/77/62/660137762.db2.gz FWVZECSBNHIXCJ-UHFFFAOYSA-N -1 0 350.335 -0.904 20 0 FBADRM CCCCNC(=O)NC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730659122 660137751 /nfs/dbraw/zinc/13/77/51/660137751.db2.gz YSRHFLJKIOZKSF-UHFFFAOYSA-N -1 0 350.335 -0.760 20 0 FBADRM CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730659555 660137734 /nfs/dbraw/zinc/13/77/34/660137734.db2.gz XJKISCNYDHKDHB-MRVPVSSYSA-N -1 0 350.335 -0.763 20 0 FBADRM CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730659558 660137724 /nfs/dbraw/zinc/13/77/24/660137724.db2.gz XJKISCNYDHKDHB-QMMMGPOBSA-N -1 0 350.335 -0.763 20 0 FBADRM CCOCCCNC(=O)[C@H](C)OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730660088 660137654 /nfs/dbraw/zinc/13/76/54/660137654.db2.gz YHKNXMVOOUQTJT-JTQLQIEISA-N -1 0 351.363 -0.454 20 0 FBADRM CCOCCCNC(=O)[C@@H](C)OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730660089 660137767 /nfs/dbraw/zinc/13/77/67/660137767.db2.gz YHKNXMVOOUQTJT-SNVBAGLBSA-N -1 0 351.363 -0.454 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)Cn2ncc3ccccc32)cc1C(N)=O ZINC000730689541 660137947 /nfs/dbraw/zinc/13/79/47/660137947.db2.gz XRWFNVQJGHCGAI-UHFFFAOYSA-N -1 0 361.383 -0.021 20 0 FBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000730917737 660142135 /nfs/dbraw/zinc/14/21/35/660142135.db2.gz GXSKBFZQHUJNEY-UHFFFAOYSA-N -1 0 354.348 -0.787 20 0 FBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000730918593 660142134 /nfs/dbraw/zinc/14/21/34/660142134.db2.gz PTLHWMCXUPVUIU-UHFFFAOYSA-N -1 0 368.375 -0.397 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)OC(C)(C)C ZINC000730919450 660142075 /nfs/dbraw/zinc/14/20/75/660142075.db2.gz MLVDUUIVISEMDV-UHFFFAOYSA-N -1 0 374.419 -0.204 20 0 FBADRM COC(=O)CSCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000730920863 660142085 /nfs/dbraw/zinc/14/20/85/660142085.db2.gz YUAIQOWBIOYMSG-UHFFFAOYSA-N -1 0 363.417 -0.775 20 0 FBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000730921925 660142103 /nfs/dbraw/zinc/14/21/03/660142103.db2.gz LVUJUWWFBPVSID-UHFFFAOYSA-N -1 0 365.408 -0.631 20 0 FBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000730922251 660142067 /nfs/dbraw/zinc/14/20/67/660142067.db2.gz OUSUYJVCDOCDNE-UHFFFAOYSA-N -1 0 368.375 -0.572 20 0 FBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000730922753 660142091 /nfs/dbraw/zinc/14/20/91/660142091.db2.gz ZZVSVZMBRYTTOM-UHFFFAOYSA-N -1 0 364.401 -0.359 20 0 FBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000730923093 660142119 /nfs/dbraw/zinc/14/21/19/660142119.db2.gz WRTANNUOZMMCHE-UHFFFAOYSA-N -1 0 372.403 -0.204 20 0 FBADRM CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000731285945 660145311 /nfs/dbraw/zinc/14/53/11/660145311.db2.gz LYCFMTZFAHWNNY-UHFFFAOYSA-N -1 0 373.416 -0.708 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O)CC1 ZINC000731289233 660145312 /nfs/dbraw/zinc/14/53/12/660145312.db2.gz PSNVYQDMZVVFDQ-UHFFFAOYSA-N -1 0 370.449 -0.943 20 0 FBADRM COC(=O)CNC(=O)COC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C ZINC000731448116 660146460 /nfs/dbraw/zinc/14/64/60/660146460.db2.gz WWICXKASFXOAKP-UHFFFAOYSA-N -1 0 350.331 -0.573 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1n[nH]cc1Br ZINC000731631909 660147232 /nfs/dbraw/zinc/14/72/32/660147232.db2.gz JNMFGHGOCDUMMB-UHFFFAOYSA-N -1 0 352.152 -0.127 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000731647239 660147649 /nfs/dbraw/zinc/14/76/49/660147649.db2.gz PTTMTENDFRIGMO-UHFFFAOYSA-N -1 0 370.456 -0.109 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1 ZINC000731854893 660150383 /nfs/dbraw/zinc/15/03/83/660150383.db2.gz KGVXCKZVGQGNOT-LLVKDONJSA-N -1 0 352.376 -0.679 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1 ZINC000731854894 660150391 /nfs/dbraw/zinc/15/03/91/660150391.db2.gz KGVXCKZVGQGNOT-NSHDSACASA-N -1 0 352.376 -0.679 20 0 FBADRM O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000731854923 660150369 /nfs/dbraw/zinc/15/03/69/660150369.db2.gz LZLCUPRNMZWEGU-SECBINFHSA-N -1 0 358.280 -0.020 20 0 FBADRM O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000731854924 660150373 /nfs/dbraw/zinc/15/03/73/660150373.db2.gz LZLCUPRNMZWEGU-VIFPVBQESA-N -1 0 358.280 -0.020 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1 ZINC000731854991 660150361 /nfs/dbraw/zinc/15/03/61/660150361.db2.gz OBMPVZZVXFNTPU-GFCCVEGCSA-N -1 0 366.403 -0.336 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1 ZINC000731854992 660150341 /nfs/dbraw/zinc/15/03/41/660150341.db2.gz OBMPVZZVXFNTPU-LBPRGKRZSA-N -1 0 366.403 -0.336 20 0 FBADRM O=C(c1cc(=O)[nH][n-]1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000731861801 660150390 /nfs/dbraw/zinc/15/03/90/660150390.db2.gz OPIOWGWLFHTYDZ-UHFFFAOYSA-N -1 0 350.400 -0.464 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)cc1 ZINC000731863874 660150380 /nfs/dbraw/zinc/15/03/80/660150380.db2.gz IFPLFMIRHHSRSH-UHFFFAOYSA-N -1 0 366.399 -0.596 20 0 FBADRM O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(=O)[nH][n-]1 ZINC000731864141 660150367 /nfs/dbraw/zinc/15/03/67/660150367.db2.gz KYUGMWDFTKTKQM-UHFFFAOYSA-N -1 0 366.399 -0.800 20 0 FBADRM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cc(=O)[nH][n-]1 ZINC000731864680 660150387 /nfs/dbraw/zinc/15/03/87/660150387.db2.gz CNPWBUDYVPBFES-UHFFFAOYSA-N -1 0 352.372 -0.009 20 0 FBADRM O=C(c1cc(=O)[nH][n-]1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000731865161 660150404 /nfs/dbraw/zinc/15/04/04/660150404.db2.gz GXBMCXHWPJYUSZ-UHFFFAOYSA-N -1 0 368.390 -0.075 20 0 FBADRM O=C(c1cc(=O)[nH][n-]1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000731866131 660150368 /nfs/dbraw/zinc/15/03/68/660150368.db2.gz RGRRYQMATRLWPD-UHFFFAOYSA-N -1 0 360.399 -0.724 20 0 FBADRM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1cc(=O)[nH][n-]1 ZINC000731866174 660150365 /nfs/dbraw/zinc/15/03/65/660150365.db2.gz RHGFWCHKTDIBBS-UHFFFAOYSA-N -1 0 368.371 -0.773 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000731868083 660150518 /nfs/dbraw/zinc/15/05/18/660150518.db2.gz KYOUDMWIQIELLG-UHFFFAOYSA-N -1 0 355.376 -1.000 20 0 FBADRM O=C(c1cc(=O)[nH][n-]1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000731868124 660150603 /nfs/dbraw/zinc/15/06/03/660150603.db2.gz NANJTBUMHHIHRW-UHFFFAOYSA-N -1 0 356.429 -0.107 20 0 FBADRM CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000731868352 660150553 /nfs/dbraw/zinc/15/05/53/660150553.db2.gz DNFDMXNGCIJWFD-UHFFFAOYSA-N -1 0 371.463 -0.484 20 0 FBADRM O=C(c1cc(=O)[nH][n-]1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000731869539 660150402 /nfs/dbraw/zinc/15/04/02/660150402.db2.gz RWRIWSOGCUITFP-UHFFFAOYSA-N -1 0 368.390 -0.029 20 0 FBADRM O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(=O)[nH][n-]1 ZINC000731871538 660150403 /nfs/dbraw/zinc/15/04/03/660150403.db2.gz HXOTUPNNPJLFDK-UHFFFAOYSA-N -1 0 350.400 -0.037 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000731872070 660150357 /nfs/dbraw/zinc/15/03/57/660150357.db2.gz WAOLDHXCEVIRSM-UHFFFAOYSA-N -1 0 353.423 -0.079 20 0 FBADRM O=C(NCCS(=O)(=O)N1CCOCC1)c1n[n-]c2ccccc2c1=O ZINC000731872322 660150347 /nfs/dbraw/zinc/15/03/47/660150347.db2.gz DUFAOLZWMRLJJG-UHFFFAOYSA-N -1 0 366.399 -0.273 20 0 FBADRM CC(C)N1C(=O)c2ccc(C(=O)NCc3nnn[n-]3)cc2S1(=O)=O ZINC000731873646 660150510 /nfs/dbraw/zinc/15/05/10/660150510.db2.gz XZXHBPYTRUAQEK-UHFFFAOYSA-N -1 0 350.360 -0.317 20 0 FBADRM O=C(CNS(=O)(=O)c1cccs1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000731879999 660150562 /nfs/dbraw/zinc/15/05/62/660150562.db2.gz FGGZSYYCAKDVFO-MRVPVSSYSA-N -1 0 358.405 -0.860 20 0 FBADRM O=C(CNS(=O)(=O)c1cccs1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000731880000 660150605 /nfs/dbraw/zinc/15/06/05/660150605.db2.gz FGGZSYYCAKDVFO-QMMMGPOBSA-N -1 0 358.405 -0.860 20 0 FBADRM CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1 ZINC000731880472 660150613 /nfs/dbraw/zinc/15/06/13/660150613.db2.gz NARMUQTVNWMIOB-GFCCVEGCSA-N -1 0 366.403 -0.288 20 0 FBADRM CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1 ZINC000731880473 660150502 /nfs/dbraw/zinc/15/05/02/660150502.db2.gz NARMUQTVNWMIOB-LBPRGKRZSA-N -1 0 366.403 -0.288 20 0 FBADRM O=C(NCc1nnn[n-]1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000731887198 660150537 /nfs/dbraw/zinc/15/05/37/660150537.db2.gz IVIZJOQRVJMUJU-UHFFFAOYSA-N -1 0 370.366 -0.710 20 0 FBADRM CON(C)S(=O)(=O)c1cc(C(=O)NCc2nnn[n-]2)ccc1Cl ZINC000731888546 660150722 /nfs/dbraw/zinc/15/07/22/660150722.db2.gz VZHXHNWEVXDMAE-UHFFFAOYSA-N -1 0 360.783 -0.035 20 0 FBADRM O=C(c1cc(=O)[nH][n-]1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000731890902 660150557 /nfs/dbraw/zinc/15/05/57/660150557.db2.gz IFBGXCORRHKYCO-UHFFFAOYSA-N -1 0 372.353 -0.326 20 0 FBADRM O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cc(=O)[nH][n-]1 ZINC000731892350 660150526 /nfs/dbraw/zinc/15/05/26/660150526.db2.gz ZBHLCUUGFCTACQ-UHFFFAOYSA-N -1 0 370.362 -0.339 20 0 FBADRM CN1CCN(S(=O)(=O)c2cccc(NC(=O)c3cc(=O)[nH][n-]3)c2)CC1 ZINC000731898220 660150727 /nfs/dbraw/zinc/15/07/27/660150727.db2.gz YCZOQVBFTKKHJQ-UHFFFAOYSA-N -1 0 365.415 -0.563 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cnn2cccnc12 ZINC000731918440 660150952 /nfs/dbraw/zinc/15/09/52/660150952.db2.gz DOLXHKULRVUXEU-LLVKDONJSA-N -1 0 367.387 -0.269 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cnn2cccnc12 ZINC000731918442 660150997 /nfs/dbraw/zinc/15/09/97/660150997.db2.gz DOLXHKULRVUXEU-NSHDSACASA-N -1 0 367.387 -0.269 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)Cn1ccccc1=O ZINC000731918448 660150999 /nfs/dbraw/zinc/15/09/99/660150999.db2.gz DYHHODUWWHFFQD-LLVKDONJSA-N -1 0 357.388 -0.763 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)Cn1ccccc1=O ZINC000731918450 660150961 /nfs/dbraw/zinc/15/09/61/660150961.db2.gz DYHHODUWWHFFQD-NSHDSACASA-N -1 0 357.388 -0.763 20 0 FBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)OCC ZINC000731918568 660150976 /nfs/dbraw/zinc/15/09/76/660150976.db2.gz HRKGJURBTZWXGN-JTQLQIEISA-N -1 0 365.408 -0.489 20 0 FBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)N1CCC[C@@H]1C(=O)OCC ZINC000731918569 660150992 /nfs/dbraw/zinc/15/09/92/660150992.db2.gz HRKGJURBTZWXGN-SNVBAGLBSA-N -1 0 365.408 -0.489 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)/C=C\c1cnn(C)c1 ZINC000731919116 660150993 /nfs/dbraw/zinc/15/09/93/660150993.db2.gz QKXFRWYYVQRXLV-DGMVEKRQSA-N -1 0 356.404 -0.178 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)/C=C/c1cnn(C)c1 ZINC000731919117 660150967 /nfs/dbraw/zinc/15/09/67/660150967.db2.gz QKXFRWYYVQRXLV-NNNHXZLVSA-N -1 0 356.404 -0.178 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)/C=C/c1cnn(C)c1 ZINC000731919118 660150985 /nfs/dbraw/zinc/15/09/85/660150985.db2.gz QKXFRWYYVQRXLV-SYTKJHMZSA-N -1 0 356.404 -0.178 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)/C=C\c1cnn(C)c1 ZINC000731919119 660150954 /nfs/dbraw/zinc/15/09/54/660150954.db2.gz QKXFRWYYVQRXLV-ZHRWSRJISA-N -1 0 356.404 -0.178 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000731920381 660151237 /nfs/dbraw/zinc/15/12/37/660151237.db2.gz CCKBQDBLYMLPSW-UHFFFAOYSA-N -1 0 370.383 -0.189 20 0 FBADRM CCn1c(=O)[nH]c2cc(C(=O)[N-]S(=O)(=O)CC(=O)OC)ccc2c1=O ZINC000731920623 660151206 /nfs/dbraw/zinc/15/12/06/660151206.db2.gz DDTQERJRHPMOFC-UHFFFAOYSA-N -1 0 369.355 -0.645 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000731920660 660151236 /nfs/dbraw/zinc/15/12/36/660151236.db2.gz DKULQTMZJHYQHX-UHFFFAOYSA-N -1 0 354.340 -0.708 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CCc1c(C)nc2ncnn2c1C ZINC000731920922 660151213 /nfs/dbraw/zinc/15/12/13/660151213.db2.gz IFEYCPIWZDLKHJ-UHFFFAOYSA-N -1 0 355.376 -0.707 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 ZINC000731920928 660151216 /nfs/dbraw/zinc/15/12/16/660151216.db2.gz IMRTYGSGRUEXMW-UHFFFAOYSA-N -1 0 371.371 -0.164 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000731920988 660151248 /nfs/dbraw/zinc/15/12/48/660151248.db2.gz JNVKFQTXTDKZOS-UHFFFAOYSA-N -1 0 368.367 -0.432 20 0 FBADRM CNC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)CC(=O)OC)cc1OC ZINC000731920999 660151205 /nfs/dbraw/zinc/15/12/05/660151205.db2.gz JSUQEMXQNMOMLP-UHFFFAOYSA-N -1 0 374.371 -0.947 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000731921033 660151244 /nfs/dbraw/zinc/15/12/44/660151244.db2.gz KDQRSJXYPAGHQN-UHFFFAOYSA-N -1 0 365.367 -0.471 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)Cn1cnc2c(C)cccc2c1=O ZINC000731921075 660151235 /nfs/dbraw/zinc/15/12/35/660151235.db2.gz KSHOMKAEMPJVGC-UHFFFAOYSA-N -1 0 353.356 -0.676 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CN1C(=O)CSc2ccccc21 ZINC000731921083 660151202 /nfs/dbraw/zinc/15/12/02/660151202.db2.gz KXICMNIWUNLXJQ-UHFFFAOYSA-N -1 0 358.397 -0.256 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000731921134 660151243 /nfs/dbraw/zinc/15/12/43/660151243.db2.gz NAFLEQHLNYVIND-CYBMUJFWSA-N -1 0 372.399 -0.119 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000731921135 660151220 /nfs/dbraw/zinc/15/12/20/660151220.db2.gz NAFLEQHLNYVIND-ZDUSSCGKSA-N -1 0 372.399 -0.119 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000731921277 660151210 /nfs/dbraw/zinc/15/12/10/660151210.db2.gz RFEAMSIBEXIQHZ-UHFFFAOYSA-N -1 0 356.356 -0.431 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CCN1C(=O)COc2ccccc21 ZINC000731921285 660151247 /nfs/dbraw/zinc/15/12/47/660151247.db2.gz RILZAZKMZFMFRA-UHFFFAOYSA-N -1 0 356.356 -0.579 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CCn1cnc2ccccc2c1=O ZINC000731921369 660151212 /nfs/dbraw/zinc/15/12/12/660151212.db2.gz VGAFQLBHKGRYNI-UHFFFAOYSA-N -1 0 353.356 -0.594 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(N2CCNC2=O)c(C)c1 ZINC000731921383 660151215 /nfs/dbraw/zinc/15/12/15/660151215.db2.gz VSMHQANZAYNRRP-UHFFFAOYSA-N -1 0 355.372 -0.243 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000731921420 660151201 /nfs/dbraw/zinc/15/12/01/660151201.db2.gz WWQTWDSTPHOTRC-UHFFFAOYSA-N -1 0 364.401 -0.831 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000731921446 660151242 /nfs/dbraw/zinc/15/12/42/660151242.db2.gz XRCASYSGLAIMON-UHFFFAOYSA-N -1 0 369.804 -0.024 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cnn(CC(=O)N(C)C)c1 ZINC000732045124 660152723 /nfs/dbraw/zinc/15/27/23/660152723.db2.gz AHIIINNRVCXQFY-UHFFFAOYSA-N -1 0 370.391 -0.410 20 0 FBADRM COC(=O)Cn1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)OC)n1 ZINC000732045391 660152746 /nfs/dbraw/zinc/15/27/46/660152746.db2.gz JCQKDMJJPLQNNC-UHFFFAOYSA-N -1 0 357.348 -0.325 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccccc1S(N)(=O)=O ZINC000732045467 660152744 /nfs/dbraw/zinc/15/27/44/660152744.db2.gz ARXBVIBODBXYIK-UHFFFAOYSA-N -1 0 374.400 -0.047 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1 ZINC000732045860 660152714 /nfs/dbraw/zinc/15/27/14/660152714.db2.gz AJOMYPFAFFLMJP-UHFFFAOYSA-N -1 0 374.400 -0.047 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cccc(S(N)(=O)=O)c1 ZINC000732045947 660152743 /nfs/dbraw/zinc/15/27/43/660152743.db2.gz CNWUHISAMDEUNF-UHFFFAOYSA-N -1 0 374.400 -0.047 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000732086334 598423662 /nfs/dbraw/zinc/42/36/62/598423662.db2.gz VOXCCSWKWZBMIC-UHFFFAOYSA-N -1 0 351.330 -0.432 20 0 FBADRM CS(=O)(=O)Nc1cccc(CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1 ZINC000732088396 660153772 /nfs/dbraw/zinc/15/37/72/660153772.db2.gz AFUJQQZUZVDSMI-GFCCVEGCSA-N -1 0 366.403 -0.286 20 0 FBADRM CS(=O)(=O)Nc1cccc(CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1 ZINC000732088397 660153893 /nfs/dbraw/zinc/15/38/93/660153893.db2.gz AFUJQQZUZVDSMI-LBPRGKRZSA-N -1 0 366.403 -0.286 20 0 FBADRM O=C(CCCS(=O)(=O)N1CCCC1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732088606 660153884 /nfs/dbraw/zinc/15/38/84/660153884.db2.gz DAEVEGNHGYFGAN-LLVKDONJSA-N -1 0 358.424 -0.695 20 0 FBADRM O=C(CCCS(=O)(=O)N1CCCC1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732088607 660153795 /nfs/dbraw/zinc/15/37/95/660153795.db2.gz DAEVEGNHGYFGAN-NSHDSACASA-N -1 0 358.424 -0.695 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)C1 ZINC000732088942 660153863 /nfs/dbraw/zinc/15/38/63/660153863.db2.gz IMTZFZLTXBPSON-GHMZBOCLSA-N -1 0 358.424 -0.839 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](c3nnn[n-]3)C2)C1 ZINC000732088943 660153726 /nfs/dbraw/zinc/15/37/26/660153726.db2.gz IMTZFZLTXBPSON-MNOVXSKESA-N -1 0 358.424 -0.839 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCO[C@H](c3nnn[n-]3)C2)C1 ZINC000732088945 660153816 /nfs/dbraw/zinc/15/38/16/660153816.db2.gz IMTZFZLTXBPSON-QWRGUYRKSA-N -1 0 358.424 -0.839 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)C1 ZINC000732088946 660153880 /nfs/dbraw/zinc/15/38/80/660153880.db2.gz IMTZFZLTXBPSON-WDEREUQCSA-N -1 0 358.424 -0.839 20 0 FBADRM CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1 ZINC000732089073 660153857 /nfs/dbraw/zinc/15/38/57/660153857.db2.gz AOVGLLNDQXHHOI-GFCCVEGCSA-N -1 0 366.403 -0.288 20 0 FBADRM CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1 ZINC000732089074 660153824 /nfs/dbraw/zinc/15/38/24/660153824.db2.gz AOVGLLNDQXHHOI-LBPRGKRZSA-N -1 0 366.403 -0.288 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1 ZINC000732089652 660153746 /nfs/dbraw/zinc/15/37/46/660153746.db2.gz PRUVSYBRNYGVDC-GFCCVEGCSA-N -1 0 366.403 -0.336 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1 ZINC000732089653 660153830 /nfs/dbraw/zinc/15/38/30/660153830.db2.gz PRUVSYBRNYGVDC-LBPRGKRZSA-N -1 0 366.403 -0.336 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732089738 660153806 /nfs/dbraw/zinc/15/38/06/660153806.db2.gz CUEAJQXEUTUQPJ-NEPJUHHUSA-N -1 0 372.451 -0.306 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732089739 660153876 /nfs/dbraw/zinc/15/38/76/660153876.db2.gz CUEAJQXEUTUQPJ-NWDGAFQWSA-N -1 0 372.451 -0.306 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732089740 660153867 /nfs/dbraw/zinc/15/38/67/660153867.db2.gz CUEAJQXEUTUQPJ-RYUDHWBXSA-N -1 0 372.451 -0.306 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732089741 660153720 /nfs/dbraw/zinc/15/37/20/660153720.db2.gz CUEAJQXEUTUQPJ-VXGBXAGGSA-N -1 0 372.451 -0.306 20 0 FBADRM C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732089894 660153840 /nfs/dbraw/zinc/15/38/40/660153840.db2.gz ONNCEKBIHZSDOU-APPZFPTMSA-N -1 0 351.396 -0.398 20 0 FBADRM C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732089899 660153845 /nfs/dbraw/zinc/15/38/45/660153845.db2.gz ONNCEKBIHZSDOU-CBAPKCEASA-N -1 0 351.396 -0.398 20 0 FBADRM C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732089900 660153836 /nfs/dbraw/zinc/15/38/36/660153836.db2.gz ONNCEKBIHZSDOU-IONNQARKSA-N -1 0 351.396 -0.398 20 0 FBADRM C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732089902 660153790 /nfs/dbraw/zinc/15/37/90/660153790.db2.gz ONNCEKBIHZSDOU-VXNVDRBHSA-N -1 0 351.396 -0.398 20 0 FBADRM CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1 ZINC000732089979 660153887 /nfs/dbraw/zinc/15/38/87/660153887.db2.gz TXMCDZBLOWVWQV-GFCCVEGCSA-N -1 0 366.403 -0.370 20 0 FBADRM CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1 ZINC000732089980 660153819 /nfs/dbraw/zinc/15/38/19/660153819.db2.gz TXMCDZBLOWVWQV-LBPRGKRZSA-N -1 0 366.403 -0.370 20 0 FBADRM O=C(CCNC(=O)OCC(F)(F)F)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732090899 660153731 /nfs/dbraw/zinc/15/37/31/660153731.db2.gz PZZIIJRLJQZGFS-SSDOTTSWSA-N -1 0 352.273 -0.222 20 0 FBADRM O=C(CCNC(=O)OCC(F)(F)F)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732090900 660153753 /nfs/dbraw/zinc/15/37/53/660153753.db2.gz PZZIIJRLJQZGFS-ZETCQYMHSA-N -1 0 352.273 -0.222 20 0 FBADRM O=C(CCn1cnc2sccc2c1=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732091289 660153767 /nfs/dbraw/zinc/15/37/67/660153767.db2.gz YFRMDXWHANKSDN-JTQLQIEISA-N -1 0 361.387 -0.039 20 0 FBADRM O=C(CCn1cnc2sccc2c1=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732091290 660153760 /nfs/dbraw/zinc/15/37/60/660153760.db2.gz YFRMDXWHANKSDN-SNVBAGLBSA-N -1 0 361.387 -0.039 20 0 FBADRM O=C(CSCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1)N1CCCCC1 ZINC000732091629 660153739 /nfs/dbraw/zinc/15/37/39/660153739.db2.gz LCNJVGQDQXWSHG-LLVKDONJSA-N -1 0 354.436 -0.155 20 0 FBADRM O=C(CSCC(=O)N1CCO[C@H](c2nnn[n-]2)C1)N1CCCCC1 ZINC000732091630 660154089 /nfs/dbraw/zinc/15/40/89/660154089.db2.gz LCNJVGQDQXWSHG-NSHDSACASA-N -1 0 354.436 -0.155 20 0 FBADRM CNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1 ZINC000732091783 660154052 /nfs/dbraw/zinc/15/40/52/660154052.db2.gz QEABFDPJEDMPGF-LLVKDONJSA-N -1 0 352.376 -0.679 20 0 FBADRM CNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1 ZINC000732091784 660154061 /nfs/dbraw/zinc/15/40/61/660154061.db2.gz QEABFDPJEDMPGF-NSHDSACASA-N -1 0 352.376 -0.679 20 0 FBADRM O=C(CCNS(=O)(=O)c1cccs1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732092324 660154074 /nfs/dbraw/zinc/15/40/74/660154074.db2.gz XXUQMVSPIUFVMV-SECBINFHSA-N -1 0 372.432 -0.470 20 0 FBADRM O=C(CCNS(=O)(=O)c1cccs1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732092326 660154105 /nfs/dbraw/zinc/15/41/05/660154105.db2.gz XXUQMVSPIUFVMV-VIFPVBQESA-N -1 0 372.432 -0.470 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)NCc2nnn[n-]2)sc1Br ZINC000732158080 660154912 /nfs/dbraw/zinc/15/49/12/660154912.db2.gz RTBLXGFYUSVTTC-UHFFFAOYSA-N -1 0 367.210 -0.399 20 0 FBADRM O=C(NCc1nnn[n-]1)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F ZINC000732158311 660154868 /nfs/dbraw/zinc/15/48/68/660154868.db2.gz YOUDHGOMFBMTPZ-UHFFFAOYSA-N -1 0 358.330 -0.151 20 0 FBADRM COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2nnn[n-]2)c1 ZINC000732158446 660154876 /nfs/dbraw/zinc/15/48/76/660154876.db2.gz FFLYDISKZDGJLT-UHFFFAOYSA-N -1 0 374.810 -0.292 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000732259143 660155346 /nfs/dbraw/zinc/15/53/46/660155346.db2.gz MXBZFPOADAOBTE-UHFFFAOYSA-N -1 0 369.403 -0.610 20 0 FBADRM NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000732262639 660155444 /nfs/dbraw/zinc/15/54/44/660155444.db2.gz VZYMUQMCAHVTNI-AWEZNQCLSA-N -1 0 363.805 -0.114 20 0 FBADRM NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000732262641 660155390 /nfs/dbraw/zinc/15/53/90/660155390.db2.gz VZYMUQMCAHVTNI-CQSZACIVSA-N -1 0 363.805 -0.114 20 0 FBADRM O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cc(=O)[nH][n-]1 ZINC000732263205 660155338 /nfs/dbraw/zinc/15/53/38/660155338.db2.gz LJUIEYHINMBYPU-UHFFFAOYSA-N -1 0 372.428 -0.739 20 0 FBADRM O=C(c1cc(=O)[nH][n-]1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000732265452 660155429 /nfs/dbraw/zinc/15/54/29/660155429.db2.gz ZIJOLMYOXRGCOS-UHFFFAOYSA-N -1 0 354.363 -0.466 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)c2n[n-]c3ccccc3c2=O)CC1 ZINC000732269879 660155416 /nfs/dbraw/zinc/15/54/16/660155416.db2.gz WSLIXHAMOGDMAL-UHFFFAOYSA-N -1 0 365.415 -0.100 20 0 FBADRM O=C(NCCN1CCS(=O)(=O)CC1)c1n[n-]c2ccccc2c1=O ZINC000732270480 660155382 /nfs/dbraw/zinc/15/53/82/660155382.db2.gz FHWATSVIXQHBIK-UHFFFAOYSA-N -1 0 350.400 -0.204 20 0 FBADRM COCCNS(=O)(=O)c1ccc(CNC(=O)c2cc(=O)[nH][n-]2)cc1 ZINC000732273066 660155325 /nfs/dbraw/zinc/15/53/25/660155325.db2.gz UUONBZQQWWBOLA-UHFFFAOYSA-N -1 0 354.388 -0.897 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000732275223 660155353 /nfs/dbraw/zinc/15/53/53/660155353.db2.gz GTPGUJVZDYXRLL-UHFFFAOYSA-N -1 0 353.379 -0.942 20 0 FBADRM O=C(c1cc(=O)[nH][n-]1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000732275409 660155310 /nfs/dbraw/zinc/15/53/10/660155310.db2.gz BVHJJJFKSAGQCA-UHFFFAOYSA-N -1 0 350.400 -0.215 20 0 FBADRM O=C(CNC(=O)c1cc(=O)[nH][n-]1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000732281095 660155551 /nfs/dbraw/zinc/15/55/51/660155551.db2.gz MOTJKPDDZBPTBZ-UHFFFAOYSA-N -1 0 363.805 -0.019 20 0 FBADRM O=C(CNC(=O)c1cc(=O)[nH][n-]1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000732283374 660155628 /nfs/dbraw/zinc/15/56/28/660155628.db2.gz XCXOEMIMHBYQRV-UHFFFAOYSA-N -1 0 363.805 -0.019 20 0 FBADRM CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000732285205 660155576 /nfs/dbraw/zinc/15/55/76/660155576.db2.gz WREQFDFULPGWNH-UHFFFAOYSA-N -1 0 365.415 -0.881 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)cs1 ZINC000732286560 660155594 /nfs/dbraw/zinc/15/55/94/660155594.db2.gz GMYULSSVGIWPNA-UHFFFAOYSA-N -1 0 357.417 -0.840 20 0 FBADRM CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1cc(=O)[nH][n-]1 ZINC000732286806 660155569 /nfs/dbraw/zinc/15/55/69/660155569.db2.gz JZKXODXOLUSSKM-UHFFFAOYSA-N -1 0 353.423 -0.127 20 0 FBADRM O=C(c1cc(=O)[nH][n-]1)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000732287442 660155552 /nfs/dbraw/zinc/15/55/52/660155552.db2.gz BZBBNTCOAAQUAH-LLVKDONJSA-N -1 0 368.390 -0.029 20 0 FBADRM O=C(c1cc(=O)[nH][n-]1)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000732287446 660155597 /nfs/dbraw/zinc/15/55/97/660155597.db2.gz BZBBNTCOAAQUAH-NSHDSACASA-N -1 0 368.390 -0.029 20 0 FBADRM O=C(CN1CC(=O)NC1=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000732357220 660156090 /nfs/dbraw/zinc/15/60/90/660156090.db2.gz RBFZSUXYBWUOQI-UHFFFAOYSA-N -1 0 352.328 -0.897 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 ZINC000732492998 660159862 /nfs/dbraw/zinc/15/98/62/660159862.db2.gz GACDDHUMFWGJSI-CYBMUJFWSA-N -1 0 351.384 -0.462 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 ZINC000732493001 660159832 /nfs/dbraw/zinc/15/98/32/660159832.db2.gz GACDDHUMFWGJSI-ZDUSSCGKSA-N -1 0 351.384 -0.462 20 0 FBADRM CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000732495821 660159911 /nfs/dbraw/zinc/15/99/11/660159911.db2.gz RKNGWXYXYPKSKC-UHFFFAOYSA-N -1 0 358.420 -0.519 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)OCCNS(C)(=O)=O)cc2[n-]c1=S ZINC000732501734 660159924 /nfs/dbraw/zinc/15/99/24/660159924.db2.gz AMYWVEVUTYRORR-UHFFFAOYSA-N -1 0 357.413 -0.072 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000732506278 660159833 /nfs/dbraw/zinc/15/98/33/660159833.db2.gz OMUCTTMYFCGSOE-JTQLQIEISA-N -1 0 361.420 -0.278 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000732506281 660159878 /nfs/dbraw/zinc/15/98/78/660159878.db2.gz OMUCTTMYFCGSOE-SNVBAGLBSA-N -1 0 361.420 -0.278 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000732506757 660160174 /nfs/dbraw/zinc/16/01/74/660160174.db2.gz SRAYJMCZXXBJHF-UHFFFAOYSA-N -1 0 361.420 -0.276 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000732506826 660160148 /nfs/dbraw/zinc/16/01/48/660160148.db2.gz UUIRGLFKCPOMED-UHFFFAOYSA-N -1 0 365.433 -0.815 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)CCn1c2ccccc2c(=O)[nH]c1=O ZINC000732506932 660160142 /nfs/dbraw/zinc/16/01/42/660160142.db2.gz WLXLUFZQDQHDRX-UHFFFAOYSA-N -1 0 369.399 -0.025 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 ZINC000732508077 660160190 /nfs/dbraw/zinc/16/01/90/660160190.db2.gz LGRDXXGNHVVPFJ-LLVKDONJSA-N -1 0 356.466 -0.469 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 ZINC000732508079 660160183 /nfs/dbraw/zinc/16/01/83/660160183.db2.gz LGRDXXGNHVVPFJ-NSHDSACASA-N -1 0 356.466 -0.469 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC000732508451 660160135 /nfs/dbraw/zinc/16/01/35/660160135.db2.gz PHZZCVGDWCIQBI-UHFFFAOYSA-N -1 0 356.466 -0.469 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000732508824 660160169 /nfs/dbraw/zinc/16/01/69/660160169.db2.gz VSVYKYQIEWTWFE-UHFFFAOYSA-N -1 0 354.406 -0.374 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000732509267 660159837 /nfs/dbraw/zinc/15/98/37/660159837.db2.gz CEELXSAATLMJHR-UHFFFAOYSA-N -1 0 369.399 -0.166 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)NC)c(OC)c1 ZINC000732509808 660159885 /nfs/dbraw/zinc/15/98/85/660159885.db2.gz MGDWBSVXQVPWGM-UHFFFAOYSA-N -1 0 374.415 -0.084 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000732509826 660159851 /nfs/dbraw/zinc/15/98/51/660159851.db2.gz MPLWSCASOGHKQV-UHFFFAOYSA-N -1 0 364.445 -0.210 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000732510125 660160153 /nfs/dbraw/zinc/16/01/53/660160153.db2.gz RPAKQWQKCZRISC-CYBMUJFWSA-N -1 0 368.415 -0.411 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000732510126 660160175 /nfs/dbraw/zinc/16/01/75/660160175.db2.gz RPAKQWQKCZRISC-ZDUSSCGKSA-N -1 0 368.415 -0.411 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000732510468 660160138 /nfs/dbraw/zinc/16/01/38/660160138.db2.gz ZDCFDFYUPUEDTC-UHFFFAOYSA-N -1 0 361.420 -0.276 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)c(OC)c1 ZINC000732510780 660160185 /nfs/dbraw/zinc/16/01/85/660160185.db2.gz DRPQAKRATNVMAK-UHFFFAOYSA-N -1 0 360.388 -0.345 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000732510996 660160194 /nfs/dbraw/zinc/16/01/94/660160194.db2.gz KPZAGWDXKAYBAT-UHFFFAOYSA-N -1 0 353.422 -0.639 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)CCn1nnc2ccccc2c1=O ZINC000732511230 660160195 /nfs/dbraw/zinc/16/01/95/660160195.db2.gz UYMGXHWOFLGMHF-UHFFFAOYSA-N -1 0 354.388 -0.336 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000732511268 660160180 /nfs/dbraw/zinc/16/01/80/660160180.db2.gz XJGRSGUHYSKTLJ-UHFFFAOYSA-N -1 0 355.372 -0.415 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000732511294 660160150 /nfs/dbraw/zinc/16/01/50/660160150.db2.gz YZNCNJSULQGPCL-UHFFFAOYSA-N -1 0 353.400 -0.042 20 0 FBADRM CC(C)CCS(=O)(=O)[N-]C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000732512560 660160196 /nfs/dbraw/zinc/16/01/96/660160196.db2.gz ZAPFMAIVRJHUQN-UHFFFAOYSA-N -1 0 368.415 -0.262 20 0 FBADRM CC(C)CCS(=O)(=O)[N-]C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000732513187 660160164 /nfs/dbraw/zinc/16/01/64/660160164.db2.gz KUYFQGHYCZUBJU-UHFFFAOYSA-N -1 0 361.445 -0.024 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000732520676 660160494 /nfs/dbraw/zinc/16/04/94/660160494.db2.gz DPMNOFMYYKWQNY-NHCYSSNCSA-N -1 0 365.477 -0.195 20 0 FBADRM CCCCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)CCOC)CC1 ZINC000732520699 660160459 /nfs/dbraw/zinc/16/04/59/660160459.db2.gz IXGHHYDYCFMYKQ-UHFFFAOYSA-N -1 0 370.493 -0.079 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)CSc1nnnn1CC(F)(F)F ZINC000732520730 660160472 /nfs/dbraw/zinc/16/04/72/660160472.db2.gz KWQLAWNIWKJLEY-UHFFFAOYSA-N -1 0 363.343 -0.580 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)CCn1c2ccccc2c(=O)[nH]c1=O ZINC000732520993 660160803 /nfs/dbraw/zinc/16/08/03/660160803.db2.gz QDONGRGWIHKOIZ-UHFFFAOYSA-N -1 0 355.372 -0.415 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)Cn1cc(Br)ccc1=O ZINC000732521250 660160785 /nfs/dbraw/zinc/16/07/85/660160785.db2.gz QVVLBGRVBBHIRX-UHFFFAOYSA-N -1 0 353.194 -0.297 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000732521333 660160784 /nfs/dbraw/zinc/16/07/84/660160784.db2.gz VZGWLTQMQVBMIP-UHFFFAOYSA-N -1 0 361.401 -0.556 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000732521356 660160801 /nfs/dbraw/zinc/16/08/01/660160801.db2.gz LYJHFJNVCLKPLQ-GFCCVEGCSA-N -1 0 372.378 -0.662 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000732521357 660160786 /nfs/dbraw/zinc/16/07/86/660160786.db2.gz LYJHFJNVCLKPLQ-LBPRGKRZSA-N -1 0 372.378 -0.662 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1sccc1S(=O)(=O)N(C)C ZINC000732521953 660160768 /nfs/dbraw/zinc/16/07/68/660160768.db2.gz XUUCOAWPTNRNQV-UHFFFAOYSA-N -1 0 356.447 -0.296 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000732521965 660160780 /nfs/dbraw/zinc/16/07/80/660160780.db2.gz YFDBBSFJPLGXQT-UHFFFAOYSA-N -1 0 362.429 -0.068 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)CCC(=O)N1CC(=O)Nc2ccccc21 ZINC000732522374 660160799 /nfs/dbraw/zinc/16/07/99/660160799.db2.gz BBZYDNFOYXNHAW-UHFFFAOYSA-N -1 0 369.399 -0.156 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000732522561 660160796 /nfs/dbraw/zinc/16/07/96/660160796.db2.gz AJUQSBQQALNWSA-UHFFFAOYSA-N -1 0 366.417 -0.230 20 0 FBADRM CCn1c(=O)c2ccccc2n(CC(=O)[N-]S(=O)(=O)CCOC)c1=O ZINC000732522651 660160769 /nfs/dbraw/zinc/16/07/69/660160769.db2.gz FPXOLLIGYPWHMN-UHFFFAOYSA-N -1 0 369.399 -0.725 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)CCOC)cc1 ZINC000732522660 660160778 /nfs/dbraw/zinc/16/07/78/660160778.db2.gz KOIOMOXEWRILMK-UHFFFAOYSA-N -1 0 365.429 -0.187 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1cccc(S(=O)(=O)N(C)OC)c1 ZINC000732522706 660160788 /nfs/dbraw/zinc/16/07/88/660160788.db2.gz MVLQADQZARGQTL-UHFFFAOYSA-N -1 0 366.417 -0.426 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000732522707 660160774 /nfs/dbraw/zinc/16/07/74/660160774.db2.gz MWQYIQGBUQNBAB-UHFFFAOYSA-N -1 0 350.418 -0.357 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000732522717 660160781 /nfs/dbraw/zinc/16/07/81/660160781.db2.gz NEBGMUNCSWGNSP-UHFFFAOYSA-N -1 0 366.417 -0.426 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000732523115 660160767 /nfs/dbraw/zinc/16/07/67/660160767.db2.gz JADUMZQZUBOLGE-HZMBPMFUSA-N -1 0 361.420 -0.421 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000732523116 660160776 /nfs/dbraw/zinc/16/07/76/660160776.db2.gz JADUMZQZUBOLGE-IINYFYTJSA-N -1 0 361.420 -0.421 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000732523117 660160806 /nfs/dbraw/zinc/16/08/06/660160806.db2.gz JADUMZQZUBOLGE-QMTHXVAHSA-N -1 0 361.420 -0.421 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000732523118 660160773 /nfs/dbraw/zinc/16/07/73/660160773.db2.gz JADUMZQZUBOLGE-YGRLFVJLSA-N -1 0 361.420 -0.421 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000732523533 660160802 /nfs/dbraw/zinc/16/08/02/660160802.db2.gz UDDMJKMAJCAJAQ-UHFFFAOYSA-N -1 0 362.429 -0.285 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000732523621 660160775 /nfs/dbraw/zinc/16/07/75/660160775.db2.gz AUBHCNSUFOFCRA-UHFFFAOYSA-N -1 0 361.420 -0.324 20 0 FBADRM CCn1c(=O)[nH]c2cc(C(=O)[N-]S(=O)(=O)CCOC)ccc2c1=O ZINC000732523721 660160766 /nfs/dbraw/zinc/16/07/66/660160766.db2.gz CONFUQAHGDOCEI-UHFFFAOYSA-N -1 0 355.372 -0.172 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)OC ZINC000732523746 660160779 /nfs/dbraw/zinc/16/07/79/660160779.db2.gz CZYVOHMPIQICCE-UHFFFAOYSA-N -1 0 360.388 -0.053 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000732523807 660160805 /nfs/dbraw/zinc/16/08/05/660160805.db2.gz YDFYSMNQEUTUQM-UHFFFAOYSA-N -1 0 361.420 -0.421 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000732523812 660160782 /nfs/dbraw/zinc/16/07/82/660160782.db2.gz YEVBTUXYSKHDKX-UHFFFAOYSA-N -1 0 355.372 -0.556 20 0 FBADRM CNC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)CCOC)cc1OC ZINC000732523816 660160770 /nfs/dbraw/zinc/16/07/70/660160770.db2.gz VXHTXHIHRJTDKN-UHFFFAOYSA-N -1 0 360.388 -0.474 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000732523827 660160777 /nfs/dbraw/zinc/16/07/77/660160777.db2.gz WDDIVSJIBONQRH-GFCCVEGCSA-N -1 0 354.388 -0.801 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000732523828 660160794 /nfs/dbraw/zinc/16/07/94/660160794.db2.gz WDDIVSJIBONQRH-LBPRGKRZSA-N -1 0 354.388 -0.801 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000732523846 660160790 /nfs/dbraw/zinc/16/07/90/660160790.db2.gz ZHOLETLGEUDAKG-UHFFFAOYSA-N -1 0 350.418 -0.601 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000732523890 660160787 /nfs/dbraw/zinc/16/07/87/660160787.db2.gz YXMKGIIJIPIWFS-UHFFFAOYSA-N -1 0 350.418 -0.357 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21 ZINC000732523910 660160797 /nfs/dbraw/zinc/16/07/97/660160797.db2.gz DPMNOFMYYKWQNY-JBLDHEPKSA-N -1 0 365.477 -0.195 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 ZINC000732523911 660160771 /nfs/dbraw/zinc/16/07/71/660160771.db2.gz DPMNOFMYYKWQNY-JFGNBEQYSA-N -1 0 365.477 -0.195 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 ZINC000732523912 660161013 /nfs/dbraw/zinc/16/10/13/660161013.db2.gz DPMNOFMYYKWQNY-SCVCMEIPSA-N -1 0 365.477 -0.195 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000732524101 660161006 /nfs/dbraw/zinc/16/10/06/660161006.db2.gz NPLAMJOARQGUNB-UHFFFAOYSA-N -1 0 362.429 -0.068 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)CSCC(=O)Nc1cc(C)on1 ZINC000732524109 660161039 /nfs/dbraw/zinc/16/10/39/660161039.db2.gz NTNPBICOPALJMN-UHFFFAOYSA-N -1 0 351.406 -0.253 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732543337 660161241 /nfs/dbraw/zinc/16/12/41/660161241.db2.gz HZZRXBYFPWNOSI-MRVPVSSYSA-N -1 0 358.280 -0.649 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732543338 660161289 /nfs/dbraw/zinc/16/12/89/660161289.db2.gz HZZRXBYFPWNOSI-QMMMGPOBSA-N -1 0 358.280 -0.649 20 0 FBADRM CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732554758 660161421 /nfs/dbraw/zinc/16/14/21/660161421.db2.gz JZOXWUIRPMPNQJ-JTQLQIEISA-N -1 0 356.383 -0.359 20 0 FBADRM CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732554759 660161461 /nfs/dbraw/zinc/16/14/61/660161461.db2.gz JZOXWUIRPMPNQJ-SNVBAGLBSA-N -1 0 356.383 -0.359 20 0 FBADRM CC(C)(C)OC(=O)NCCOCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000732578390 660161633 /nfs/dbraw/zinc/16/16/33/660161633.db2.gz MRWYKKDESHIXRB-UHFFFAOYSA-N -1 0 363.396 -0.312 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)COCCNC(=O)OC(C)(C)C)cn1 ZINC000732593486 660161951 /nfs/dbraw/zinc/16/19/51/660161951.db2.gz MTGWUMVDURTGRT-UHFFFAOYSA-N -1 0 362.408 -0.234 20 0 FBADRM CC(C)(C)OC(=O)NCCOCC(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000732596614 660161936 /nfs/dbraw/zinc/16/19/36/660161936.db2.gz YZSMMZKPQSEQAD-UHFFFAOYSA-N -1 0 351.425 -0.016 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000732604338 660161925 /nfs/dbraw/zinc/16/19/25/660161925.db2.gz HPTJVKGNIYFZMC-UHFFFAOYSA-N -1 0 362.429 -0.213 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000732604404 660161953 /nfs/dbraw/zinc/16/19/53/660161953.db2.gz IXJKSBIJGPGFAZ-HNNXBMFYSA-N -1 0 351.384 -0.154 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000732604406 660161927 /nfs/dbraw/zinc/16/19/27/660161927.db2.gz IXJKSBIJGPGFAZ-OAHLLOKOSA-N -1 0 351.384 -0.154 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000732604970 660161928 /nfs/dbraw/zinc/16/19/28/660161928.db2.gz SDXVZDMMDXVGKY-UHFFFAOYSA-N -1 0 368.458 -0.152 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000732604988 660161958 /nfs/dbraw/zinc/16/19/58/660161958.db2.gz SVVHLNFLBYCOIX-HNNXBMFYSA-N -1 0 369.399 -0.072 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000732604990 660161929 /nfs/dbraw/zinc/16/19/29/660161929.db2.gz SVVHLNFLBYCOIX-OAHLLOKOSA-N -1 0 369.399 -0.072 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 ZINC000732605219 660161926 /nfs/dbraw/zinc/16/19/26/660161926.db2.gz QVPUIDVWPOKPOP-AWEZNQCLSA-N -1 0 365.411 -0.072 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 ZINC000732605225 660161932 /nfs/dbraw/zinc/16/19/32/660161932.db2.gz QVPUIDVWPOKPOP-CQSZACIVSA-N -1 0 365.411 -0.072 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000732605358 660161935 /nfs/dbraw/zinc/16/19/35/660161935.db2.gz MEZPRRIPMCCQIS-UHFFFAOYSA-N -1 0 365.433 -0.875 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000732605749 660161938 /nfs/dbraw/zinc/16/19/38/660161938.db2.gz WMFKSFOTKHYUQR-UHFFFAOYSA-N -1 0 367.474 -0.168 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000732605767 660161948 /nfs/dbraw/zinc/16/19/48/660161948.db2.gz WWFPWJQTTNCNCP-UHFFFAOYSA-N -1 0 362.429 -0.213 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000732606461 660161931 /nfs/dbraw/zinc/16/19/31/660161931.db2.gz HBLHODSJQKAKSY-UHFFFAOYSA-N -1 0 352.390 -0.620 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000732607376 660161941 /nfs/dbraw/zinc/16/19/41/660161941.db2.gz YSJUOSBJKTUCNW-UHFFFAOYSA-N -1 0 351.384 -0.476 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000732607507 660161942 /nfs/dbraw/zinc/16/19/42/660161942.db2.gz FBNSCHKTOCGLJH-UHFFFAOYSA-N -1 0 362.429 -0.213 20 0 FBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000732608818 660161922 /nfs/dbraw/zinc/16/19/22/660161922.db2.gz QAZDKAHJVMIRAH-UHFFFAOYSA-N -1 0 357.207 -0.306 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cn2)nn1 ZINC000732610536 660161950 /nfs/dbraw/zinc/16/19/50/660161950.db2.gz FUXAXTBPFQJMEQ-UHFFFAOYSA-N -1 0 372.794 -0.467 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2ccc(Cl)cn2)C(=O)C1=O ZINC000732610735 660161963 /nfs/dbraw/zinc/16/19/63/660161963.db2.gz VAUJASFEUGXHIP-UHFFFAOYSA-N -1 0 374.806 -0.769 20 0 FBADRM O=C(CCN1CCCS1(=O)=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000732611888 660161962 /nfs/dbraw/zinc/16/19/62/660161962.db2.gz YOBDMNRTQWWTFT-UHFFFAOYSA-N -1 0 367.836 -0.035 20 0 FBADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)c2ccc(Cl)cn2)c1=O ZINC000732612347 660161965 /nfs/dbraw/zinc/16/19/65/660161965.db2.gz JXAXQBLNVVEFNH-UHFFFAOYSA-N -1 0 358.763 -0.900 20 0 FBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000732613032 660161933 /nfs/dbraw/zinc/16/19/33/660161933.db2.gz WQOZRCHQDFLNHL-UHFFFAOYSA-N -1 0 353.809 -0.425 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000732613571 660161923 /nfs/dbraw/zinc/16/19/23/660161923.db2.gz FMXQULGQWTXJKZ-SECBINFHSA-N -1 0 367.836 -0.036 20 0 FBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000732613574 660161954 /nfs/dbraw/zinc/16/19/54/660161954.db2.gz FMXQULGQWTXJKZ-VIFPVBQESA-N -1 0 367.836 -0.036 20 0 FBADRM O=C(CCCN1C(=O)CNC1=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000732614874 660162272 /nfs/dbraw/zinc/16/22/72/660162272.db2.gz ZGMNVGLNJYXXJR-UHFFFAOYSA-N -1 0 360.779 -0.128 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCn2ccccc2=O)s1 ZINC000732615373 660162270 /nfs/dbraw/zinc/16/22/70/660162270.db2.gz GATCVRQRRVJAJX-UHFFFAOYSA-N -1 0 355.397 -0.096 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CC3)C2)s1 ZINC000732615954 660162247 /nfs/dbraw/zinc/16/22/47/660162247.db2.gz YARUOXMCXPVSFY-SSDOTTSWSA-N -1 0 357.413 -0.337 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CC3)C2)s1 ZINC000732615955 660162260 /nfs/dbraw/zinc/16/22/60/660162260.db2.gz YARUOXMCXPVSFY-ZETCQYMHSA-N -1 0 357.413 -0.337 20 0 FBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)cn1 ZINC000732616647 660162275 /nfs/dbraw/zinc/16/22/75/660162275.db2.gz RVULWEMOYUOAKV-UHFFFAOYSA-N -1 0 368.396 -0.280 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCCNC(=O)C2CC2)s1 ZINC000732616837 660161944 /nfs/dbraw/zinc/16/19/44/660161944.db2.gz WRFLHHIYJJGHMU-UHFFFAOYSA-N -1 0 359.429 -0.042 20 0 FBADRM COC(=O)CSCCC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1 ZINC000732616863 660161937 /nfs/dbraw/zinc/16/19/37/660161937.db2.gz AHYSEERQDJUDSM-UHFFFAOYSA-N -1 0 366.442 -0.052 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCN2CCCC2=O)cc1C(N)=O ZINC000732617410 660161940 /nfs/dbraw/zinc/16/19/40/660161940.db2.gz GZYCRSDDGCIKEG-UHFFFAOYSA-N -1 0 353.400 -0.089 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CC3)C2)cc1C(N)=O ZINC000732617462 660161930 /nfs/dbraw/zinc/16/19/30/660161930.db2.gz KCGAJKCLABGXLN-JTQLQIEISA-N -1 0 365.411 -0.090 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CC3)C2)cc1C(N)=O ZINC000732617463 660161964 /nfs/dbraw/zinc/16/19/64/660161964.db2.gz KCGAJKCLABGXLN-SNVBAGLBSA-N -1 0 365.411 -0.090 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)[nH]c2=O)cc1C(N)=O ZINC000732618871 660162278 /nfs/dbraw/zinc/16/22/78/660162278.db2.gz OOHWHLCDWWKMLM-UHFFFAOYSA-N -1 0 366.355 -0.988 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(N)=O)c2)cc1C(N)=O ZINC000732620010 660162251 /nfs/dbraw/zinc/16/22/51/660162251.db2.gz HIGVUKZHHLYNLA-UHFFFAOYSA-N -1 0 350.356 -0.360 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C(=O)C2)cc1C(N)=O ZINC000732620588 660162243 /nfs/dbraw/zinc/16/22/43/660162243.db2.gz SKPMESNNJNGZDZ-JTQLQIEISA-N -1 0 353.400 -0.233 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C(=O)C2)cc1C(N)=O ZINC000732620590 660162261 /nfs/dbraw/zinc/16/22/61/660162261.db2.gz SKPMESNNJNGZDZ-SNVBAGLBSA-N -1 0 353.400 -0.233 20 0 FBADRM O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1n[nH]c(=O)[n-]1 ZINC000732678162 660162585 /nfs/dbraw/zinc/16/25/85/660162585.db2.gz TUGIGZFJHVCSPV-UHFFFAOYSA-N -1 0 357.314 -0.198 20 0 FBADRM O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(=O)[nH][n-]1 ZINC000732678235 660162561 /nfs/dbraw/zinc/16/25/61/660162561.db2.gz XUBKXOYDFLXIRH-UHFFFAOYSA-N -1 0 356.326 -0.460 20 0 FBADRM COc1c(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c(C)nn1C ZINC000732898498 660164461 /nfs/dbraw/zinc/16/44/61/660164461.db2.gz DVFRXIFDFUXCGN-UHFFFAOYSA-N -1 0 355.376 -0.707 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2c(C)nn(C)c2OC)CC1 ZINC000732903732 660164450 /nfs/dbraw/zinc/16/44/50/660164450.db2.gz VZLLMKYDNPNLBL-UHFFFAOYSA-N -1 0 374.419 -0.403 20 0 FBADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)CNC(C)=O ZINC000732905740 660164476 /nfs/dbraw/zinc/16/44/76/660164476.db2.gz IDWGHALIBBTXIS-AAEUAGOBSA-N -1 0 361.464 -0.004 20 0 FBADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)CNC(C)=O ZINC000732905744 660164506 /nfs/dbraw/zinc/16/45/06/660164506.db2.gz IDWGHALIBBTXIS-DGCLKSJQSA-N -1 0 361.464 -0.004 20 0 FBADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)CNC(C)=O ZINC000732905746 660164447 /nfs/dbraw/zinc/16/44/47/660164447.db2.gz IDWGHALIBBTXIS-WCQYABFASA-N -1 0 361.464 -0.004 20 0 FBADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)CNC(C)=O ZINC000732905747 660164487 /nfs/dbraw/zinc/16/44/87/660164487.db2.gz IDWGHALIBBTXIS-YPMHNXCESA-N -1 0 361.464 -0.004 20 0 FBADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000732905928 660164508 /nfs/dbraw/zinc/16/45/08/660164508.db2.gz OGMBRXQEEPUOJJ-AEZGRPFRSA-N -1 0 357.432 -0.021 20 0 FBADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000732905931 660164497 /nfs/dbraw/zinc/16/44/97/660164497.db2.gz OGMBRXQEEPUOJJ-SKVAFPRGSA-N -1 0 357.432 -0.021 20 0 FBADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000732905933 660164454 /nfs/dbraw/zinc/16/44/54/660164454.db2.gz OGMBRXQEEPUOJJ-TVRMLOFPSA-N -1 0 357.432 -0.021 20 0 FBADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000732905935 660164478 /nfs/dbraw/zinc/16/44/78/660164478.db2.gz OGMBRXQEEPUOJJ-WSKFYRRCSA-N -1 0 357.432 -0.021 20 0 FBADRM COC(=O)Cn1cc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)OC)cn1 ZINC000732922867 660167877 /nfs/dbraw/zinc/16/78/77/660167877.db2.gz BXBYPGQRDBXIET-UHFFFAOYSA-N -1 0 357.348 -0.325 20 0 FBADRM CN(CC(=O)NCc1cccs1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000732966042 660174268 /nfs/dbraw/zinc/17/42/68/660174268.db2.gz PDXNTOHZAIAIMM-UHFFFAOYSA-N -1 0 360.399 -0.093 20 0 FBADRM CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000733001901 660178591 /nfs/dbraw/zinc/17/85/91/660178591.db2.gz SBCISMXAWONERB-UHFFFAOYSA-N -1 0 370.353 -0.323 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C)nc2n(C)c1=O ZINC000733055486 660178804 /nfs/dbraw/zinc/17/88/04/660178804.db2.gz GVIWGMULDXSCHP-UHFFFAOYSA-N -1 0 368.415 -0.262 20 0 FBADRM CC(C)(C)CS(=O)(=O)[N-]C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000733055624 660178807 /nfs/dbraw/zinc/17/88/07/660178807.db2.gz ZEYLFOOMTKOPLQ-UHFFFAOYSA-N -1 0 361.445 -0.024 20 0 FBADRM Cn1c(=O)c2cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C)cnc2n(C)c1=O ZINC000733057162 660179039 /nfs/dbraw/zinc/17/90/39/660179039.db2.gz CHZSLEAMEFBWIM-UHFFFAOYSA-N -1 0 368.415 -0.262 20 0 FBADRM CCC(CC)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)CNC(C)=O ZINC000733059166 660179005 /nfs/dbraw/zinc/17/90/05/660179005.db2.gz DJOJWGWBTXNAHR-CYBMUJFWSA-N -1 0 361.464 -0.004 20 0 FBADRM CCC(CC)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)CNC(C)=O ZINC000733059167 660179019 /nfs/dbraw/zinc/17/90/19/660179019.db2.gz DJOJWGWBTXNAHR-ZDUSSCGKSA-N -1 0 361.464 -0.004 20 0 FBADRM CCC(CC)CS(=O)(=O)[N-]C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000733059310 660179045 /nfs/dbraw/zinc/17/90/45/660179045.db2.gz AFVHMGRLMQCIGQ-BQYQJAHWSA-N -1 0 357.432 -0.021 20 0 FBADRM CCC(CC)CS(=O)(=O)[N-]C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000733059311 660179008 /nfs/dbraw/zinc/17/90/08/660179008.db2.gz AFVHMGRLMQCIGQ-FPLPWBNLSA-N -1 0 357.432 -0.021 20 0 FBADRM CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H](C)CS(=O)(=O)CC ZINC000733122155 660181634 /nfs/dbraw/zinc/18/16/34/660181634.db2.gz RILKQPIBTKYTQG-JTQLQIEISA-N -1 0 355.420 -0.257 20 0 FBADRM CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H](C)CS(=O)(=O)CC ZINC000733122160 660181636 /nfs/dbraw/zinc/18/16/36/660181636.db2.gz RILKQPIBTKYTQG-SNVBAGLBSA-N -1 0 355.420 -0.257 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)OCc2nnnn2C)c1 ZINC000733483974 660359682 /nfs/dbraw/zinc/35/96/82/660359682.db2.gz AJAJCLBEVNKZJW-UHFFFAOYSA-N -1 0 368.375 -0.103 20 0 FBADRM CCC(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000733675673 660361337 /nfs/dbraw/zinc/36/13/37/660361337.db2.gz DDTOVBBJCMQAFM-LLVKDONJSA-N -1 0 370.431 -0.280 20 0 FBADRM CCC(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000733675675 660361410 /nfs/dbraw/zinc/36/14/10/660361410.db2.gz DDTOVBBJCMQAFM-NSHDSACASA-N -1 0 370.431 -0.280 20 0 FBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)CCC1 ZINC000733675814 660361417 /nfs/dbraw/zinc/36/14/17/660361417.db2.gz MOIDJLPXTLWVQX-UHFFFAOYSA-N -1 0 364.387 -0.617 20 0 FBADRM Cn1cccc(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c1=O ZINC000733675885 660361383 /nfs/dbraw/zinc/36/13/83/660361383.db2.gz NUOHRVORZZEYSF-UHFFFAOYSA-N -1 0 360.355 -0.520 20 0 FBADRM O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000733675936 660361424 /nfs/dbraw/zinc/36/14/24/660361424.db2.gz ORNMVHAGVLPVFD-GFCCVEGCSA-N -1 0 367.387 -0.337 20 0 FBADRM O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000733675937 660361397 /nfs/dbraw/zinc/36/13/97/660361397.db2.gz ORNMVHAGVLPVFD-LBPRGKRZSA-N -1 0 367.387 -0.337 20 0 FBADRM Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)c3cc(C(N)=O)n(C)c3)cn12 ZINC000733676155 660361573 /nfs/dbraw/zinc/36/15/73/660361573.db2.gz OPVDMOPBRQNYTC-UHFFFAOYSA-N -1 0 362.371 -0.406 20 0 FBADRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1)N1CCCC1=O ZINC000733676760 660361619 /nfs/dbraw/zinc/36/16/19/660361619.db2.gz VZCNYMBZYMFFIR-CYBMUJFWSA-N -1 0 370.431 -0.424 20 0 FBADRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1)N1CCCC1=O ZINC000733676761 660361562 /nfs/dbraw/zinc/36/15/62/660361562.db2.gz VZCNYMBZYMFFIR-ZDUSSCGKSA-N -1 0 370.431 -0.424 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)COC[C@H]1CCCO1 ZINC000733676841 660361575 /nfs/dbraw/zinc/36/15/75/660361575.db2.gz HOMKZUYJHMGHGG-LLVKDONJSA-N -1 0 371.415 -0.216 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)COC[C@@H]1CCCO1 ZINC000733676844 660361622 /nfs/dbraw/zinc/36/16/22/660361622.db2.gz HOMKZUYJHMGHGG-NSHDSACASA-N -1 0 371.415 -0.216 20 0 FBADRM Cc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C ZINC000733677139 660361645 /nfs/dbraw/zinc/36/16/45/660361645.db2.gz LQRMLVLBTPZTGS-UHFFFAOYSA-N -1 0 351.388 -0.056 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)c1cccn(C)c1=O ZINC000733677925 660361608 /nfs/dbraw/zinc/36/16/08/660361608.db2.gz UQAOOIHHHUBLOF-UHFFFAOYSA-N -1 0 364.383 -0.399 20 0 FBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)CCC1 ZINC000733681110 660361420 /nfs/dbraw/zinc/36/14/20/660361420.db2.gz OQCUEIIYCHORDK-UHFFFAOYSA-N -1 0 374.440 -0.189 20 0 FBADRM Cn1cccc(C(=O)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1=O ZINC000733681413 660361373 /nfs/dbraw/zinc/36/13/73/660361373.db2.gz URCRXFXIGRPMOA-UHFFFAOYSA-N -1 0 370.408 -0.093 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2ccc3nncn3c2)CC1 ZINC000733682359 660361405 /nfs/dbraw/zinc/36/14/05/660361405.db2.gz ALEDSQXQJDENSF-UHFFFAOYSA-N -1 0 367.387 -0.411 20 0 FBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)OC)CC2)CCC1 ZINC000733682424 660361426 /nfs/dbraw/zinc/36/14/26/660361426.db2.gz BXYDOFSYPXNKOH-UHFFFAOYSA-N -1 0 361.420 -0.851 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)COC[C@H]2CCCO2)CC1 ZINC000733683673 660361631 /nfs/dbraw/zinc/36/16/31/660361631.db2.gz OIOMWPCTVPOWKO-GFCCVEGCSA-N -1 0 364.420 -0.572 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)COC[C@@H]2CCCO2)CC1 ZINC000733683674 660361635 /nfs/dbraw/zinc/36/16/35/660361635.db2.gz OIOMWPCTVPOWKO-LBPRGKRZSA-N -1 0 364.420 -0.572 20 0 FBADRM NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)COC[C@H]2CCCO2)cc1 ZINC000733683834 660361616 /nfs/dbraw/zinc/36/16/16/660361616.db2.gz NFDPHMUZLNXQMW-GFCCVEGCSA-N -1 0 371.415 -0.145 20 0 FBADRM NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)COC[C@@H]2CCCO2)cc1 ZINC000733683835 660361570 /nfs/dbraw/zinc/36/15/70/660361570.db2.gz NFDPHMUZLNXQMW-LBPRGKRZSA-N -1 0 371.415 -0.145 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cccn(C)c2=O)CC1 ZINC000733683954 660361652 /nfs/dbraw/zinc/36/16/52/660361652.db2.gz UXFPBCHIUYTTIU-UHFFFAOYSA-N -1 0 357.388 -0.755 20 0 FBADRM Cn1cccc(C(=O)[N-]S(=O)(=O)c2ccc(CNC(N)=O)cc2)c1=O ZINC000733684420 660361589 /nfs/dbraw/zinc/36/15/89/660361589.db2.gz YZCKOZJIEKWMHE-UHFFFAOYSA-N -1 0 364.383 -0.328 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CCOC ZINC000733699168 660361737 /nfs/dbraw/zinc/36/17/37/660361737.db2.gz MEIUGNBPLYPFFN-LLVKDONJSA-N -1 0 356.466 -0.327 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CCOC ZINC000733699169 660361790 /nfs/dbraw/zinc/36/17/90/660361790.db2.gz MEIUGNBPLYPFFN-NSHDSACASA-N -1 0 356.466 -0.327 20 0 FBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)CCC1 ZINC000733700189 660361700 /nfs/dbraw/zinc/36/17/00/660361700.db2.gz STUHYWIGNXIWQB-UHFFFAOYSA-N -1 0 353.400 -0.185 20 0 FBADRM NC(=O)[C@H]1CC(C(=O)[N-]S(=O)(=O)CC2CC2)=NN1c1ccccc1 ZINC000733702362 660361764 /nfs/dbraw/zinc/36/17/64/660361764.db2.gz MZQHJQPNXPEDGH-CYBMUJFWSA-N -1 0 350.400 -0.037 20 0 FBADRM NC(=O)[C@@H]1CC(C(=O)[N-]S(=O)(=O)CC2CC2)=NN1c1ccccc1 ZINC000733702363 660361723 /nfs/dbraw/zinc/36/17/23/660361723.db2.gz MZQHJQPNXPEDGH-ZDUSSCGKSA-N -1 0 350.400 -0.037 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)CC3CC3)nc2n(C)c1=O ZINC000733702501 660361717 /nfs/dbraw/zinc/36/17/17/660361717.db2.gz VESGYEFYNMRKPS-UHFFFAOYSA-N -1 0 352.372 -0.898 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)CC1CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000733703771 660361759 /nfs/dbraw/zinc/36/17/59/660361759.db2.gz DCRUCYIKLGPGKN-UHFFFAOYSA-N -1 0 371.440 -0.077 20 0 FBADRM Cn1c(=O)c2cc(C(=O)[N-]S(=O)(=O)CC3CC3)cnc2n(C)c1=O ZINC000733704234 660361787 /nfs/dbraw/zinc/36/17/87/660361787.db2.gz PZPHBICININFHA-UHFFFAOYSA-N -1 0 352.372 -0.898 20 0 FBADRM O=C(CN1C(=O)c2ccccc2S1(=O)=O)[N-]S(=O)(=O)CC1CC1 ZINC000733704370 660361739 /nfs/dbraw/zinc/36/17/39/660361739.db2.gz YIAXGCFIOKKSNZ-UHFFFAOYSA-N -1 0 358.397 -0.313 20 0 FBADRM CCC(CC)S(=O)(=O)[N-]C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000733711285 660361937 /nfs/dbraw/zinc/36/19/37/660361937.db2.gz PKUGYOWQNHASAV-UHFFFAOYSA-N -1 0 371.419 -0.932 20 0 FBADRM CCC(CC)S(=O)(=O)[N-]C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000733711447 660361962 /nfs/dbraw/zinc/36/19/62/660361962.db2.gz BSRCMEDGCSACRG-UHFFFAOYSA-N -1 0 371.419 -0.932 20 0 FBADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000733712704 660361946 /nfs/dbraw/zinc/36/19/46/660361946.db2.gz CUAHGFLPNXPKSK-UHFFFAOYSA-N -1 0 368.415 -0.120 20 0 FBADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000733712791 660361969 /nfs/dbraw/zinc/36/19/69/660361969.db2.gz KYMXYOIPNHSEBS-UHFFFAOYSA-N -1 0 368.415 -0.120 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CCn1nnc2ccccc2c1=O ZINC000733714474 660361656 /nfs/dbraw/zinc/36/16/56/660361656.db2.gz SXDUKMKCOHNTRP-JTQLQIEISA-N -1 0 354.388 -0.338 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCn1nnc2ccccc2c1=O ZINC000733714475 660361584 /nfs/dbraw/zinc/36/15/84/660361584.db2.gz SXDUKMKCOHNTRP-SNVBAGLBSA-N -1 0 354.388 -0.338 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000733715437 660361611 /nfs/dbraw/zinc/36/16/11/660361611.db2.gz FACRVFCOKKWDSW-GWCFXTLKSA-N -1 0 368.415 -0.413 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000733715439 660361711 /nfs/dbraw/zinc/36/17/11/660361711.db2.gz FACRVFCOKKWDSW-GXFFZTMASA-N -1 0 368.415 -0.413 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000733715441 660361784 /nfs/dbraw/zinc/36/17/84/660361784.db2.gz FACRVFCOKKWDSW-MFKMUULPSA-N -1 0 368.415 -0.413 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000733715443 660361714 /nfs/dbraw/zinc/36/17/14/660361714.db2.gz FACRVFCOKKWDSW-ZWNOBZJWSA-N -1 0 368.415 -0.413 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000733715515 660361702 /nfs/dbraw/zinc/36/17/02/660361702.db2.gz VZSUYKCHJDOTOK-JTQLQIEISA-N -1 0 365.433 -0.817 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000733715516 660361726 /nfs/dbraw/zinc/36/17/26/660361726.db2.gz VZSUYKCHJDOTOK-SNVBAGLBSA-N -1 0 365.433 -0.817 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000733716469 660361773 /nfs/dbraw/zinc/36/17/73/660361773.db2.gz QADKLBJAQSSKCV-JTQLQIEISA-N -1 0 361.420 -0.278 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000733716470 660361779 /nfs/dbraw/zinc/36/17/79/660361779.db2.gz QADKLBJAQSSKCV-SNVBAGLBSA-N -1 0 361.420 -0.278 20 0 FBADRM CNC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)COC)cc1OC ZINC000733716810 660361728 /nfs/dbraw/zinc/36/17/28/660361728.db2.gz GHIUYINCSCUDPN-JTQLQIEISA-N -1 0 374.415 -0.086 20 0 FBADRM CNC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)COC)cc1OC ZINC000733716812 660361776 /nfs/dbraw/zinc/36/17/76/660361776.db2.gz GHIUYINCSCUDPN-SNVBAGLBSA-N -1 0 374.415 -0.086 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)[C@@H](C)COC)CC1 ZINC000733717130 660361766 /nfs/dbraw/zinc/36/17/66/660361766.db2.gz JSZDJWAZJRXNFQ-JTQLQIEISA-N -1 0 356.466 -0.471 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)[C@H](C)COC)CC1 ZINC000733717131 660361708 /nfs/dbraw/zinc/36/17/08/660361708.db2.gz JSZDJWAZJRXNFQ-SNVBAGLBSA-N -1 0 356.466 -0.471 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000733717325 660361731 /nfs/dbraw/zinc/36/17/31/660361731.db2.gz LVTHQWMYDTWSFA-MRVPVSSYSA-N -1 0 354.406 -0.376 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000733717326 660361697 /nfs/dbraw/zinc/36/16/97/660361697.db2.gz LVTHQWMYDTWSFA-QMMMGPOBSA-N -1 0 354.406 -0.376 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@H](C)COC)C1 ZINC000733717385 660361794 /nfs/dbraw/zinc/36/17/94/660361794.db2.gz MKPVBXHNEUKZQZ-GHMZBOCLSA-N -1 0 356.466 -0.471 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)COC)C1 ZINC000733717387 660361705 /nfs/dbraw/zinc/36/17/05/660361705.db2.gz MKPVBXHNEUKZQZ-MNOVXSKESA-N -1 0 356.466 -0.471 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)COC)C1 ZINC000733717389 660361756 /nfs/dbraw/zinc/36/17/56/660361756.db2.gz MKPVBXHNEUKZQZ-QWRGUYRKSA-N -1 0 356.466 -0.471 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](C)COC)C1 ZINC000733717391 660361781 /nfs/dbraw/zinc/36/17/81/660361781.db2.gz MKPVBXHNEUKZQZ-WDEREUQCSA-N -1 0 356.466 -0.471 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)c(OC)c1 ZINC000733717736 660361770 /nfs/dbraw/zinc/36/17/70/660361770.db2.gz PKCYYHDMDVDBAJ-SECBINFHSA-N -1 0 360.388 -0.346 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)c(OC)c1 ZINC000733717739 660361747 /nfs/dbraw/zinc/36/17/47/660361747.db2.gz PKCYYHDMDVDBAJ-VIFPVBQESA-N -1 0 360.388 -0.346 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000733717935 660361958 /nfs/dbraw/zinc/36/19/58/660361958.db2.gz RARDQBNPQGISEJ-SECBINFHSA-N -1 0 355.372 -0.417 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000733717939 660361936 /nfs/dbraw/zinc/36/19/36/660361936.db2.gz RARDQBNPQGISEJ-VIFPVBQESA-N -1 0 355.372 -0.417 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CCn1c2ccccc2c(=O)[nH]c1=O ZINC000733718331 660361945 /nfs/dbraw/zinc/36/19/45/660361945.db2.gz ULZOEHKFTYVHNL-JTQLQIEISA-N -1 0 369.399 -0.027 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCn1c2ccccc2c(=O)[nH]c1=O ZINC000733718332 660361935 /nfs/dbraw/zinc/36/19/35/660361935.db2.gz ULZOEHKFTYVHNL-SNVBAGLBSA-N -1 0 369.399 -0.027 20 0 FBADRM CS(=O)(=O)c1nc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c2ccccn21 ZINC000733718465 660361939 /nfs/dbraw/zinc/36/19/39/660361939.db2.gz DDWOCGUXNBMFRT-SECBINFHSA-N -1 0 373.412 -0.414 20 0 FBADRM CS(=O)(=O)c1nc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c2ccccn21 ZINC000733718468 660361941 /nfs/dbraw/zinc/36/19/41/660361941.db2.gz DDWOCGUXNBMFRT-VIFPVBQESA-N -1 0 373.412 -0.414 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000733718712 660361949 /nfs/dbraw/zinc/36/19/49/660361949.db2.gz XFUJEGDZEKWHLX-LLVKDONJSA-N -1 0 364.445 -0.212 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000733718714 660361965 /nfs/dbraw/zinc/36/19/65/660361965.db2.gz XFUJEGDZEKWHLX-NSHDSACASA-N -1 0 364.445 -0.212 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000733718725 660361957 /nfs/dbraw/zinc/36/19/57/660361957.db2.gz VRYOBTYDYZQAFL-NXEZZACHSA-N -1 0 361.420 -0.280 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000733718727 660361952 /nfs/dbraw/zinc/36/19/52/660361952.db2.gz VRYOBTYDYZQAFL-UWVGGRQHSA-N -1 0 361.420 -0.280 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000733718730 660361934 /nfs/dbraw/zinc/36/19/34/660361934.db2.gz VRYOBTYDYZQAFL-VHSXEESVSA-N -1 0 361.420 -0.280 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000733718732 660361976 /nfs/dbraw/zinc/36/19/76/660361976.db2.gz VRYOBTYDYZQAFL-ZJUUUORDSA-N -1 0 361.420 -0.280 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000733718761 660361942 /nfs/dbraw/zinc/36/19/42/660361942.db2.gz XRIHXOKGLPYMHX-JTQLQIEISA-N -1 0 361.420 -0.278 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000733718764 660361975 /nfs/dbraw/zinc/36/19/75/660361975.db2.gz XRIHXOKGLPYMHX-SNVBAGLBSA-N -1 0 361.420 -0.278 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000733719122 660361943 /nfs/dbraw/zinc/36/19/43/660361943.db2.gz IEFTVQYVWIWYRW-MRVPVSSYSA-N -1 0 353.422 -0.641 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000733719123 660361953 /nfs/dbraw/zinc/36/19/53/660361953.db2.gz IEFTVQYVWIWYRW-QMMMGPOBSA-N -1 0 353.422 -0.641 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000733719215 660361964 /nfs/dbraw/zinc/36/19/64/660361964.db2.gz XMZXNHNCFNUONE-JTQLQIEISA-N -1 0 369.399 -0.167 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000733719216 660361979 /nfs/dbraw/zinc/36/19/79/660361979.db2.gz XMZXNHNCFNUONE-SNVBAGLBSA-N -1 0 369.399 -0.167 20 0 FBADRM CCn1c(=O)[nH]c2cc(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)ccc2c1=O ZINC000733719371 660361954 /nfs/dbraw/zinc/36/19/54/660361954.db2.gz MYAPSTPBALJORA-JTQLQIEISA-N -1 0 367.383 -0.030 20 0 FBADRM O=C(Cn1cc(Br)ccc1=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733719389 660361944 /nfs/dbraw/zinc/36/19/44/660361944.db2.gz GFAWBRUGVLGCLU-SECBINFHSA-N -1 0 365.205 -0.154 20 0 FBADRM O=C(Cn1cc(Br)ccc1=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733719390 660361948 /nfs/dbraw/zinc/36/19/48/660361948.db2.gz GFAWBRUGVLGCLU-VIFPVBQESA-N -1 0 365.205 -0.154 20 0 FBADRM CCn1c(=O)[nH]c2cc(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)ccc2c1=O ZINC000733719503 660361968 /nfs/dbraw/zinc/36/19/68/660361968.db2.gz MYAPSTPBALJORA-SNVBAGLBSA-N -1 0 367.383 -0.030 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733719632 660361967 /nfs/dbraw/zinc/36/19/67/660361967.db2.gz NXOCOIYGDMIUDD-NEPJUHHUSA-N -1 0 368.477 -0.184 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733719637 660361940 /nfs/dbraw/zinc/36/19/40/660361940.db2.gz NXOCOIYGDMIUDD-NWDGAFQWSA-N -1 0 368.477 -0.184 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733719639 660361951 /nfs/dbraw/zinc/36/19/51/660361951.db2.gz NXOCOIYGDMIUDD-RYUDHWBXSA-N -1 0 368.477 -0.184 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733719641 660361959 /nfs/dbraw/zinc/36/19/59/660361959.db2.gz NXOCOIYGDMIUDD-VXGBXAGGSA-N -1 0 368.477 -0.184 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(CC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)C2=O ZINC000733719745 660361971 /nfs/dbraw/zinc/36/19/71/660361971.db2.gz IULCDLRBKNYTDG-LOIXOFCESA-N -1 0 373.431 -0.278 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(CC(=O)[N-]S(=O)(=O)[C@H]1CCOC1)C2=O ZINC000733719746 660361961 /nfs/dbraw/zinc/36/19/61/660361961.db2.gz IULCDLRBKNYTDG-VTWZXRTESA-N -1 0 373.431 -0.278 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000733719928 660361947 /nfs/dbraw/zinc/36/19/47/660361947.db2.gz MHUZTXJZPAZVBB-JTQLQIEISA-N -1 0 353.400 -0.043 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000733719929 660362175 /nfs/dbraw/zinc/36/21/75/660362175.db2.gz MHUZTXJZPAZVBB-SNVBAGLBSA-N -1 0 353.400 -0.043 20 0 FBADRM CC(C)(C)OC(=O)NCCOCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733719991 660362167 /nfs/dbraw/zinc/36/21/67/660362167.db2.gz NYDFUFFIACRVRU-JTQLQIEISA-N -1 0 352.409 -0.237 20 0 FBADRM CC(C)(C)OC(=O)NCCOCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733719994 660362224 /nfs/dbraw/zinc/36/22/24/660362224.db2.gz NYDFUFFIACRVRU-SNVBAGLBSA-N -1 0 352.409 -0.237 20 0 FBADRM O=C(CCn1nnc2ccccc2c1=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733720151 660362195 /nfs/dbraw/zinc/36/21/95/660362195.db2.gz LDXOHRYEUUKWBD-JTQLQIEISA-N -1 0 352.372 -0.584 20 0 FBADRM O=C(CCn1nnc2ccccc2c1=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733720152 660362211 /nfs/dbraw/zinc/36/22/11/660362211.db2.gz LDXOHRYEUUKWBD-SNVBAGLBSA-N -1 0 352.372 -0.584 20 0 FBADRM O=C(CCN1C(=O)c2ccccc2C1=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733720333 660362187 /nfs/dbraw/zinc/36/21/87/660362187.db2.gz DKSJUNVCJOXATD-JTQLQIEISA-N -1 0 352.368 -0.092 20 0 FBADRM O=C(CCN1C(=O)c2ccccc2C1=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733720334 660362183 /nfs/dbraw/zinc/36/21/83/660362183.db2.gz DKSJUNVCJOXATD-SNVBAGLBSA-N -1 0 352.368 -0.092 20 0 FBADRM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733720557 660362226 /nfs/dbraw/zinc/36/22/26/660362226.db2.gz BPHIZBGQQLZLDD-SECBINFHSA-N -1 0 353.356 -0.663 20 0 FBADRM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733720558 660362170 /nfs/dbraw/zinc/36/21/70/660362170.db2.gz BPHIZBGQQLZLDD-VIFPVBQESA-N -1 0 353.356 -0.663 20 0 FBADRM Cn1c2ccccc2n(CCC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c1=O ZINC000733720775 660362213 /nfs/dbraw/zinc/36/22/13/660362213.db2.gz VXVJVEDIYXKFJE-LLVKDONJSA-N -1 0 353.400 -0.035 20 0 FBADRM Cn1c2ccccc2n(CCC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1=O ZINC000733720777 660362169 /nfs/dbraw/zinc/36/21/69/660362169.db2.gz VXVJVEDIYXKFJE-NSHDSACASA-N -1 0 353.400 -0.035 20 0 FBADRM Cc1cccc2c(=O)n(CC(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)cnc12 ZINC000733721387 660362216 /nfs/dbraw/zinc/36/22/16/660362216.db2.gz KGRVVULJDSUIQL-LLVKDONJSA-N -1 0 351.384 -0.060 20 0 FBADRM Cc1cccc2c(=O)n(CC(=O)[N-]S(=O)(=O)[C@H]3CCOC3)cnc12 ZINC000733721391 660362173 /nfs/dbraw/zinc/36/21/73/660362173.db2.gz KGRVVULJDSUIQL-NSHDSACASA-N -1 0 351.384 -0.060 20 0 FBADRM NC(=O)[C@@H]1CC(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)=NN1c1ccccc1 ZINC000733721403 660362172 /nfs/dbraw/zinc/36/21/72/660362172.db2.gz ZMFSJUHYLGJDER-AAEUAGOBSA-N -1 0 366.399 -0.659 20 0 FBADRM NC(=O)[C@H]1CC(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)=NN1c1ccccc1 ZINC000733721404 660362164 /nfs/dbraw/zinc/36/21/64/660362164.db2.gz ZMFSJUHYLGJDER-DGCLKSJQSA-N -1 0 366.399 -0.659 20 0 FBADRM NC(=O)[C@H]1CC(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)=NN1c1ccccc1 ZINC000733721405 660362206 /nfs/dbraw/zinc/36/22/06/660362206.db2.gz ZMFSJUHYLGJDER-WCQYABFASA-N -1 0 366.399 -0.659 20 0 FBADRM NC(=O)[C@@H]1CC(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)=NN1c1ccccc1 ZINC000733721406 660362237 /nfs/dbraw/zinc/36/22/37/660362237.db2.gz ZMFSJUHYLGJDER-YPMHNXCESA-N -1 0 366.399 -0.659 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cc1 ZINC000733722037 660362185 /nfs/dbraw/zinc/36/21/85/660362185.db2.gz JVSWPDBWQUCSEZ-GFCCVEGCSA-N -1 0 362.429 -0.215 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cc1 ZINC000733722042 660362202 /nfs/dbraw/zinc/36/22/02/660362202.db2.gz JVSWPDBWQUCSEZ-LBPRGKRZSA-N -1 0 362.429 -0.215 20 0 FBADRM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733722209 660362197 /nfs/dbraw/zinc/36/21/97/660362197.db2.gz PMMSAQMZPSLXIQ-IJLUTSLNSA-N -1 0 358.416 -0.213 20 0 FBADRM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733722214 660362228 /nfs/dbraw/zinc/36/22/28/660362228.db2.gz PMMSAQMZPSLXIQ-QJPTWQEYSA-N -1 0 358.416 -0.213 20 0 FBADRM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733722215 660362177 /nfs/dbraw/zinc/36/21/77/660362177.db2.gz PMMSAQMZPSLXIQ-SDDRHHMPSA-N -1 0 358.416 -0.213 20 0 FBADRM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733722216 660362165 /nfs/dbraw/zinc/36/21/65/660362165.db2.gz PMMSAQMZPSLXIQ-UTUOFQBUSA-N -1 0 358.416 -0.213 20 0 FBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000733722393 660362221 /nfs/dbraw/zinc/36/22/21/660362221.db2.gz LAGPKUMRMLFRMK-GFCCVEGCSA-N -1 0 367.383 -0.413 20 0 FBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000733722400 660362180 /nfs/dbraw/zinc/36/21/80/660362180.db2.gz LAGPKUMRMLFRMK-LBPRGKRZSA-N -1 0 367.383 -0.413 20 0 FBADRM NC(=O)c1cn(CC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c2ccccc12 ZINC000733722874 660362192 /nfs/dbraw/zinc/36/21/92/660362192.db2.gz MTYRKUKAIUFEEW-JTQLQIEISA-N -1 0 351.384 -0.025 20 0 FBADRM NC(=O)c1cn(CC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c2ccccc12 ZINC000733722875 660362171 /nfs/dbraw/zinc/36/21/71/660362171.db2.gz MTYRKUKAIUFEEW-SNVBAGLBSA-N -1 0 351.384 -0.025 20 0 FBADRM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733722892 660362190 /nfs/dbraw/zinc/36/21/90/660362190.db2.gz NEEDOXKVERBHHT-MRVPVSSYSA-N -1 0 368.458 -0.153 20 0 FBADRM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733722893 660362209 /nfs/dbraw/zinc/36/22/09/660362209.db2.gz NEEDOXKVERBHHT-QMMMGPOBSA-N -1 0 368.458 -0.153 20 0 FBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)[N-]S(=O)(=O)[C@H]1CCOC1)C2=O ZINC000733722916 660362168 /nfs/dbraw/zinc/36/21/68/660362168.db2.gz NOZGHBNNCICYRH-JTQLQIEISA-N -1 0 352.368 -0.174 20 0 FBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)C2=O ZINC000733722917 660362199 /nfs/dbraw/zinc/36/21/99/660362199.db2.gz NOZGHBNNCICYRH-SNVBAGLBSA-N -1 0 352.368 -0.174 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)N1C(=O)NC2(CCCC2)C1=O ZINC000733723214 660362219 /nfs/dbraw/zinc/36/22/19/660362219.db2.gz OYPZJSGKHLRBPF-NXEZZACHSA-N -1 0 359.404 -0.526 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)[C@H]1CCOC1)N1C(=O)NC2(CCCC2)C1=O ZINC000733723215 660362179 /nfs/dbraw/zinc/36/21/79/660362179.db2.gz OYPZJSGKHLRBPF-UWVGGRQHSA-N -1 0 359.404 -0.526 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)N1C(=O)NC2(CCCC2)C1=O ZINC000733723216 660362166 /nfs/dbraw/zinc/36/21/66/660362166.db2.gz OYPZJSGKHLRBPF-VHSXEESVSA-N -1 0 359.404 -0.526 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCOC1)N1C(=O)NC2(CCCC2)C1=O ZINC000733723217 660362203 /nfs/dbraw/zinc/36/22/03/660362203.db2.gz OYPZJSGKHLRBPF-ZJUUUORDSA-N -1 0 359.404 -0.526 20 0 FBADRM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733723240 660362163 /nfs/dbraw/zinc/36/21/63/660362163.db2.gz PRLMPWPUJSYBNB-JTQLQIEISA-N -1 0 367.383 -0.273 20 0 FBADRM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733723241 660362208 /nfs/dbraw/zinc/36/22/08/660362208.db2.gz PRLMPWPUJSYBNB-SNVBAGLBSA-N -1 0 367.383 -0.273 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c1 ZINC000733723605 660362234 /nfs/dbraw/zinc/36/22/34/660362234.db2.gz LVLTUWSCYLRNDH-GFCCVEGCSA-N -1 0 362.429 -0.215 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1 ZINC000733723608 660362210 /nfs/dbraw/zinc/36/22/10/660362210.db2.gz LVLTUWSCYLRNDH-LBPRGKRZSA-N -1 0 362.429 -0.215 20 0 FBADRM O=C(CN1C(=O)c2ccccc2S1(=O)=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733723708 660362231 /nfs/dbraw/zinc/36/22/31/660362231.db2.gz URMASNILLSPULR-SECBINFHSA-N -1 0 374.396 -0.934 20 0 FBADRM O=C(CN1C(=O)c2ccccc2S1(=O)=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733723709 660362327 /nfs/dbraw/zinc/36/23/27/660362327.db2.gz URMASNILLSPULR-VIFPVBQESA-N -1 0 374.396 -0.934 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)S(=O)(=O)c1ccccc1 ZINC000733723772 660362408 /nfs/dbraw/zinc/36/24/08/660362408.db2.gz VMJZJFPIAVLWLJ-GFCCVEGCSA-N -1 0 362.429 -0.458 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)[C@H]1CCOC1)S(=O)(=O)c1ccccc1 ZINC000733723773 660362350 /nfs/dbraw/zinc/36/23/50/660362350.db2.gz VMJZJFPIAVLWLJ-LBPRGKRZSA-N -1 0 362.429 -0.458 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)ccc1OCC(N)=O ZINC000733723784 660362338 /nfs/dbraw/zinc/36/23/38/660362338.db2.gz VWSCCQZGYCYLIL-JTQLQIEISA-N -1 0 358.372 -0.592 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)ccc1OCC(N)=O ZINC000733723785 660362442 /nfs/dbraw/zinc/36/24/42/660362442.db2.gz VWSCCQZGYCYLIL-SNVBAGLBSA-N -1 0 358.372 -0.592 20 0 FBADRM Cc1cc(NC(=O)CSCC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)no1 ZINC000733723828 660362463 /nfs/dbraw/zinc/36/24/63/660362463.db2.gz NVTJGDVKDCYPID-SECBINFHSA-N -1 0 363.417 -0.110 20 0 FBADRM Cc1cc(NC(=O)CSCC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)no1 ZINC000733723829 660362395 /nfs/dbraw/zinc/36/23/95/660362395.db2.gz NVTJGDVKDCYPID-VIFPVBQESA-N -1 0 363.417 -0.110 20 0 FBADRM Cc1nc2ncnn2c(C)c1CCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733723986 660362362 /nfs/dbraw/zinc/36/23/62/660362362.db2.gz BNLFTUCAXQCFPT-LLVKDONJSA-N -1 0 353.404 -0.091 20 0 FBADRM Cc1nc2ncnn2c(C)c1CCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733723987 660362430 /nfs/dbraw/zinc/36/24/30/660362430.db2.gz BNLFTUCAXQCFPT-NSHDSACASA-N -1 0 353.404 -0.091 20 0 FBADRM CNC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cc1OC ZINC000733724361 660362367 /nfs/dbraw/zinc/36/23/67/660362367.db2.gz SNYLGDNXZVBQFW-LLVKDONJSA-N -1 0 372.399 -0.332 20 0 FBADRM CNC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cc1OC ZINC000733724362 660362401 /nfs/dbraw/zinc/36/24/01/660362401.db2.gz SNYLGDNXZVBQFW-NSHDSACASA-N -1 0 372.399 -0.332 20 0 FBADRM O=C(CSCC(=O)N1CCCCC1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733724889 660362451 /nfs/dbraw/zinc/36/24/51/660362451.db2.gz YHQOYSKBDRTGRR-LLVKDONJSA-N -1 0 350.462 -0.033 20 0 FBADRM O=C(CSCC(=O)N1CCCCC1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733724890 660362425 /nfs/dbraw/zinc/36/24/25/660362425.db2.gz YHQOYSKBDRTGRR-NSHDSACASA-N -1 0 350.462 -0.033 20 0 FBADRM Cn1nc(CC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c2ccccc2c1=O ZINC000733725545 660362389 /nfs/dbraw/zinc/36/23/89/660362389.db2.gz QGXXDLMRAJUJKZ-JTQLQIEISA-N -1 0 351.384 -0.289 20 0 FBADRM Cn1nc(CC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c2ccccc2c1=O ZINC000733725546 660362354 /nfs/dbraw/zinc/36/23/54/660362354.db2.gz QGXXDLMRAJUJKZ-SNVBAGLBSA-N -1 0 351.384 -0.289 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)Cc1c(C)nc2c(c(=O)[nH]n2C)c1C ZINC000733856769 660363557 /nfs/dbraw/zinc/36/35/57/660363557.db2.gz IZCYNJQUVIDDLI-UHFFFAOYSA-N -1 0 356.404 -0.074 20 0 FBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZINC000733856835 660363594 /nfs/dbraw/zinc/36/35/94/660363594.db2.gz FXJKLUWDLVNVDQ-UHFFFAOYSA-N -1 0 368.459 -0.357 20 0 FBADRM CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZINC000733857412 660363610 /nfs/dbraw/zinc/36/36/10/660363610.db2.gz NZOFTTDYXNNZHE-CYBMUJFWSA-N -1 0 368.459 -0.310 20 0 FBADRM CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZINC000733857413 660363500 /nfs/dbraw/zinc/36/35/00/660363500.db2.gz NZOFTTDYXNNZHE-ZDUSSCGKSA-N -1 0 368.459 -0.310 20 0 FBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZINC000733858537 660363817 /nfs/dbraw/zinc/36/38/17/660363817.db2.gz ZLFGFUONSUBELO-UHFFFAOYSA-N -1 0 370.431 -0.479 20 0 FBADRM Cc1ccnc(S(=O)(=O)[N-]C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000733863098 660363614 /nfs/dbraw/zinc/36/36/14/660363614.db2.gz URJAPAPFDHPXOW-HNNXBMFYSA-N -1 0 366.399 -0.085 20 0 FBADRM Cc1ccnc(S(=O)(=O)[N-]C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000733863099 660363574 /nfs/dbraw/zinc/36/35/74/660363574.db2.gz URJAPAPFDHPXOW-OAHLLOKOSA-N -1 0 366.399 -0.085 20 0 FBADRM Cc1ccnc(S(=O)(=O)[N-]C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c1 ZINC000733863447 660363577 /nfs/dbraw/zinc/36/35/77/660363577.db2.gz ZYMSCNZPMYQLMG-PLNGDYQASA-N -1 0 364.383 -0.694 20 0 FBADRM Cc1ccnc(S(=O)(=O)[N-]C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c1 ZINC000733863449 660363513 /nfs/dbraw/zinc/36/35/13/660363513.db2.gz ZYMSCNZPMYQLMG-SNAWJCMRSA-N -1 0 364.383 -0.694 20 0 FBADRM Cc1ccnc(S(=O)(=O)[N-]C(=O)Cn2cnc3c(cnn3C)c2=O)c1 ZINC000733864637 660363548 /nfs/dbraw/zinc/36/35/48/660363548.db2.gz LMVXSQBDBVKKFE-UHFFFAOYSA-N -1 0 362.371 -0.661 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C)ccn1 ZINC000733864874 660363508 /nfs/dbraw/zinc/36/35/08/660363508.db2.gz OAXPTSQIYLYCMN-GFCCVEGCSA-N -1 0 368.415 -0.678 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C)ccn1 ZINC000733864875 660363608 /nfs/dbraw/zinc/36/36/08/660363608.db2.gz OAXPTSQIYLYCMN-LBPRGKRZSA-N -1 0 368.415 -0.678 20 0 FBADRM Cc1ccnc(S(=O)(=O)[N-]C(=O)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000733865040 660363638 /nfs/dbraw/zinc/36/36/38/660363638.db2.gz QDIDFOBBGMKFAB-UHFFFAOYSA-N -1 0 361.445 -0.133 20 0 FBADRM Cc1ccnc(S(=O)(=O)[N-]C(=O)c2cn(CC(=O)N(C)C)nn2)c1 ZINC000733865526 660363626 /nfs/dbraw/zinc/36/36/26/660363626.db2.gz JLKDAMRSULUTOG-UHFFFAOYSA-N -1 0 352.376 -0.812 20 0 FBADRM CCN=c1nc(NCC)nc2[n-]nc(SCC(=O)N3CC(OC)C3)n21 ZINC000733968638 660364127 /nfs/dbraw/zinc/36/41/27/660364127.db2.gz WYCGBCGPOBQERG-UHFFFAOYSA-N -1 0 366.451 -0.246 20 0 FBADRM COc1ncc(C(=O)[N-]S(=O)(=O)c2ncccc2C(=O)N(C)C)cn1 ZINC000734078968 660365459 /nfs/dbraw/zinc/36/54/59/660365459.db2.gz HQTIZMACQKIKEG-UHFFFAOYSA-N -1 0 365.371 -0.299 20 0 FBADRM COc1ncc(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cn1 ZINC000734080241 660365534 /nfs/dbraw/zinc/36/55/34/660365534.db2.gz NCKLDKSZNVRUBL-UHFFFAOYSA-N -1 0 361.343 -0.420 20 0 FBADRM COc1ncc(C(=O)[N-]S(=O)(=O)c2ccc(CNC(N)=O)cc2)cn1 ZINC000734082011 660365560 /nfs/dbraw/zinc/36/55/60/660365560.db2.gz VRXRRQDFIANICN-UHFFFAOYSA-N -1 0 365.371 -0.228 20 0 FBADRM COCCN(CC(=O)[N-]S(=O)(=O)CCOC)C(=O)OC(C)(C)C ZINC000734083623 660365476 /nfs/dbraw/zinc/36/54/76/660365476.db2.gz QUYLAHNHSXDGFD-UHFFFAOYSA-N -1 0 354.425 -0.038 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cnc(OC)nc2)CC1 ZINC000734083946 660365502 /nfs/dbraw/zinc/36/55/02/660365502.db2.gz UDZUJEWWFXQOLQ-UHFFFAOYSA-N -1 0 358.376 -0.655 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000734087219 660365501 /nfs/dbraw/zinc/36/55/01/660365501.db2.gz ALRGDKIJLNYZOD-GHMZBOCLSA-N -1 0 374.415 -0.439 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000734087220 660365600 /nfs/dbraw/zinc/36/56/00/660365600.db2.gz ALRGDKIJLNYZOD-PHIMTYICSA-N -1 0 374.415 -0.439 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000734087221 660365489 /nfs/dbraw/zinc/36/54/89/660365489.db2.gz ALRGDKIJLNYZOD-QWRGUYRKSA-N -1 0 374.415 -0.439 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)Cn1c(=O)cnc2ccccc21 ZINC000734087684 660365576 /nfs/dbraw/zinc/36/55/76/660365576.db2.gz AUBILJRUNIHSPU-UHFFFAOYSA-N -1 0 367.383 -0.204 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000734088000 660365713 /nfs/dbraw/zinc/36/57/13/660365713.db2.gz KYSYXDVMMYSQQE-HTQZYQBOSA-N -1 0 374.337 -0.157 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000734088008 660365620 /nfs/dbraw/zinc/36/56/20/660365620.db2.gz KYSYXDVMMYSQQE-JGVFFNPUSA-N -1 0 374.337 -0.157 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000734088010 660365672 /nfs/dbraw/zinc/36/56/72/660365672.db2.gz KYSYXDVMMYSQQE-SFYZADRCSA-N -1 0 374.337 -0.157 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000734088012 660365650 /nfs/dbraw/zinc/36/56/50/660365650.db2.gz KYSYXDVMMYSQQE-YUMQZZPRSA-N -1 0 374.337 -0.157 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(CNC(N)=O)cc1 ZINC000734088057 660365667 /nfs/dbraw/zinc/36/56/67/660365667.db2.gz LMGPFYKQOQAROC-UHFFFAOYSA-N -1 0 357.388 -0.132 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)COc1ccc(C(N)=O)cc1 ZINC000734088114 660365695 /nfs/dbraw/zinc/36/56/95/660365695.db2.gz LRYHRQPIGIIXKH-UHFFFAOYSA-N -1 0 358.372 -0.437 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CNC(=O)Cc1cccc(F)c1 ZINC000734088133 660365647 /nfs/dbraw/zinc/36/56/47/660365647.db2.gz LYLCQUJIYMOYFX-UHFFFAOYSA-N -1 0 374.390 -0.116 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)nc1 ZINC000734088254 660365637 /nfs/dbraw/zinc/36/56/37/660365637.db2.gz IHBUYWDOHQCCBB-UHFFFAOYSA-N -1 0 371.415 -0.069 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000734088349 660365615 /nfs/dbraw/zinc/36/56/15/660365615.db2.gz BZKYYECRXIDHOJ-UHFFFAOYSA-N -1 0 367.387 -0.396 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@]12CCC(=O)N1CCS2 ZINC000734088540 660365710 /nfs/dbraw/zinc/36/57/10/660365710.db2.gz FDFAGOOTQLEXIN-GFCCVEGCSA-N -1 0 350.418 -0.549 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@]12CCC(=O)N1CCS2 ZINC000734088543 660365677 /nfs/dbraw/zinc/36/56/77/660365677.db2.gz FDFAGOOTQLEXIN-LBPRGKRZSA-N -1 0 350.418 -0.549 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000734088557 660365688 /nfs/dbraw/zinc/36/56/88/660365688.db2.gz CCIGXNGPXSGQEW-JTQLQIEISA-N -1 0 370.449 -0.800 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000734088558 660365652 /nfs/dbraw/zinc/36/56/52/660365652.db2.gz CCIGXNGPXSGQEW-SNVBAGLBSA-N -1 0 370.449 -0.800 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000734088634 660365715 /nfs/dbraw/zinc/36/57/15/660365715.db2.gz FDOCQDIYHLVUPL-UHFFFAOYSA-N -1 0 367.383 -0.054 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CN1C(=O)COc2ccccc21 ZINC000734088681 660365725 /nfs/dbraw/zinc/36/57/25/660365725.db2.gz JXUWKFFUKWFJBE-UHFFFAOYSA-N -1 0 370.383 -0.189 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CSc1nnnn1C1CC1 ZINC000734088686 660365708 /nfs/dbraw/zinc/36/57/08/660365708.db2.gz OEYUPTUMTKZRMI-UHFFFAOYSA-N -1 0 363.421 -0.501 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000734089330 660365655 /nfs/dbraw/zinc/36/56/55/660365655.db2.gz OCJBEUHURIUFEG-UHFFFAOYSA-N -1 0 371.371 -0.152 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000734089374 660365702 /nfs/dbraw/zinc/36/57/02/660365702.db2.gz PKHUUDNXZNQPNL-NOZJJQNGSA-N -1 0 364.445 -0.160 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000734089377 660365675 /nfs/dbraw/zinc/36/56/75/660365675.db2.gz PKHUUDNXZNQPNL-RNCFNFMXSA-N -1 0 364.445 -0.160 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000734089379 660365729 /nfs/dbraw/zinc/36/57/29/660365729.db2.gz PKHUUDNXZNQPNL-TVQRCGJNSA-N -1 0 364.445 -0.160 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000734089380 660365683 /nfs/dbraw/zinc/36/56/83/660365683.db2.gz PKHUUDNXZNQPNL-ZANVPECISA-N -1 0 364.445 -0.160 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cccc(OCC(N)=O)c1 ZINC000734089413 660365617 /nfs/dbraw/zinc/36/56/17/660365617.db2.gz QVASBHUGUHFEQU-UHFFFAOYSA-N -1 0 358.372 -0.437 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cccc(-n2cnnn2)c1 ZINC000734089497 660365645 /nfs/dbraw/zinc/36/56/45/660365645.db2.gz MCZKYEOSNJWLPV-UHFFFAOYSA-N -1 0 353.360 -0.325 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1sccc1-n1cnnn1 ZINC000734089557 660365685 /nfs/dbraw/zinc/36/56/85/660365685.db2.gz MSCUMUUDJSHOLO-UHFFFAOYSA-N -1 0 359.389 -0.263 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)Cn1nnc2ccccc2c1=O ZINC000734089642 660365665 /nfs/dbraw/zinc/36/56/65/660365665.db2.gz WCAAJSPTLWHWPP-UHFFFAOYSA-N -1 0 368.371 -0.809 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CCC(=O)N1CCOCC1 ZINC000734089858 660365699 /nfs/dbraw/zinc/36/56/99/660365699.db2.gz NZRXKFUCIRVTTJ-UHFFFAOYSA-N -1 0 350.393 -0.975 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)cc1 ZINC000734089968 660365607 /nfs/dbraw/zinc/36/56/07/660365607.db2.gz ZYFWHRWXPYARHK-UHFFFAOYSA-N -1 0 358.372 -0.437 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)OC)ccc1=O ZINC000734090083 660365628 /nfs/dbraw/zinc/36/56/28/660365628.db2.gz PMOXSLKXPIGPNI-UHFFFAOYSA-N -1 0 360.388 -0.493 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000734090329 660365705 /nfs/dbraw/zinc/36/57/05/660365705.db2.gz UUKWLXPCDFEXFM-MRVPVSSYSA-N -1 0 374.337 -0.204 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000734090330 660365718 /nfs/dbraw/zinc/36/57/18/660365718.db2.gz UUKWLXPCDFEXFM-QMMMGPOBSA-N -1 0 374.337 -0.204 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nncn1C ZINC000734090367 660365658 /nfs/dbraw/zinc/36/56/58/660365658.db2.gz WJZQXNQXWTVLID-MRVPVSSYSA-N -1 0 350.422 -0.305 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H](C)Sc1nncn1C ZINC000734090368 660365692 /nfs/dbraw/zinc/36/56/92/660365692.db2.gz WJZQXNQXWTVLID-QMMMGPOBSA-N -1 0 350.422 -0.305 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000734090372 660365722 /nfs/dbraw/zinc/36/57/22/660365722.db2.gz WNIKEFSVEYGJHD-UHFFFAOYSA-N -1 0 368.367 -0.075 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1 ZINC000734090660 660365874 /nfs/dbraw/zinc/36/58/74/660365874.db2.gz AGVOIXDVLCTJOA-UHFFFAOYSA-N -1 0 353.360 -0.325 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)Cn1c(C)c(C)sc1=O ZINC000734090702 660365919 /nfs/dbraw/zinc/36/59/19/660365919.db2.gz XOWSQSYWZRATNL-UHFFFAOYSA-N -1 0 350.418 -0.074 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)c(C)c1 ZINC000734090783 660365877 /nfs/dbraw/zinc/36/58/77/660365877.db2.gz ZAEDCSNVFJIEAS-UHFFFAOYSA-N -1 0 367.387 -0.016 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000734090801 660365891 /nfs/dbraw/zinc/36/58/91/660365891.db2.gz ZKKURTZOHIKYGL-UHFFFAOYSA-N -1 0 363.436 -0.221 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)Cn1c2ccccc2n(C)c1=O ZINC000734090871 660365885 /nfs/dbraw/zinc/36/58/85/660365885.db2.gz YKACFAMSAHDCDA-UHFFFAOYSA-N -1 0 369.399 -0.261 20 0 FBADRM CNC(=O)c1cncc(/C=C/C(=O)[N-]S(=O)(=O)CCCC(=O)OC)c1 ZINC000734091270 660365915 /nfs/dbraw/zinc/36/59/15/660365915.db2.gz QUKNIVFFKYLQBA-AATRIKPKSA-N -1 0 369.399 -0.146 20 0 FBADRM CNC(=O)c1cncc(/C=C\C(=O)[N-]S(=O)(=O)CCCC(=O)OC)c1 ZINC000734091271 660365879 /nfs/dbraw/zinc/36/58/79/660365879.db2.gz QUKNIVFFKYLQBA-WAYWQWQTSA-N -1 0 369.399 -0.146 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccccc1OCC(N)=O ZINC000734091467 660365834 /nfs/dbraw/zinc/36/58/34/660365834.db2.gz ZIHACQDLRHZLDS-UHFFFAOYSA-N -1 0 358.372 -0.437 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccn1 ZINC000734964342 660372119 /nfs/dbraw/zinc/37/21/19/660372119.db2.gz SSSVGJPRJQWMBS-LLVKDONJSA-N -1 0 354.388 -0.986 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccccn1 ZINC000734964343 660372091 /nfs/dbraw/zinc/37/20/91/660372091.db2.gz SSSVGJPRJQWMBS-NSHDSACASA-N -1 0 354.388 -0.986 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)c2ccccn2)C1=O ZINC000734967982 660372076 /nfs/dbraw/zinc/37/20/76/660372076.db2.gz BGYGOIJILLBEPU-AWEZNQCLSA-N -1 0 352.372 -0.393 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)c2ccccn2)C1=O ZINC000734967983 660372100 /nfs/dbraw/zinc/37/21/00/660372100.db2.gz BGYGOIJILLBEPU-CQSZACIVSA-N -1 0 352.372 -0.393 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1ccccn1)S(=O)(=O)c1cccnc1 ZINC000734968436 660372112 /nfs/dbraw/zinc/37/21/12/660372112.db2.gz VKZGNUSQMPXOIM-UHFFFAOYSA-N -1 0 370.412 -0.398 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccccn1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000734968487 660372126 /nfs/dbraw/zinc/37/21/26/660372126.db2.gz XXJUKRFULPWWAJ-UHFFFAOYSA-N -1 0 368.396 -0.616 20 0 FBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)c1ccccn1 ZINC000734968922 660372077 /nfs/dbraw/zinc/37/20/77/660372077.db2.gz OVCJPTHILYTUKC-UHFFFAOYSA-N -1 0 352.372 -0.249 20 0 FBADRM CC1(C)NC(=O)N(CCCC(=O)[N-]S(=O)(=O)c2ccccn2)C1=O ZINC000734969253 660372105 /nfs/dbraw/zinc/37/21/05/660372105.db2.gz FIOFWBZYYWITIV-UHFFFAOYSA-N -1 0 354.388 -0.003 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)[N-]S(=O)(=O)c2ccccn2)c1 ZINC000734969274 660372067 /nfs/dbraw/zinc/37/20/67/660372067.db2.gz GMLBUNYITGTJRG-UHFFFAOYSA-N -1 0 358.401 -0.221 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)c2ccccn2)C1=O ZINC000734969623 660372087 /nfs/dbraw/zinc/37/20/87/660372087.db2.gz XCEGMHBYVYUYLR-UHFFFAOYSA-N -1 0 354.388 -0.003 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCN2CCCC2=O)cc1 ZINC000734970837 660372079 /nfs/dbraw/zinc/37/20/79/660372079.db2.gz IXULZRZILABSQA-UHFFFAOYSA-N -1 0 374.440 -0.093 20 0 FBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000734971307 660372128 /nfs/dbraw/zinc/37/21/28/660372128.db2.gz GQJIDSKQKITAPH-UHFFFAOYSA-N -1 0 364.401 -0.359 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1=O ZINC000734971853 660372082 /nfs/dbraw/zinc/37/20/82/660372082.db2.gz CIKUMMURXZHQAG-JTQLQIEISA-N -1 0 374.440 -0.237 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1=O ZINC000734971854 660372063 /nfs/dbraw/zinc/37/20/63/660372063.db2.gz CIKUMMURXZHQAG-SNVBAGLBSA-N -1 0 374.440 -0.237 20 0 FBADRM Cn1cccc(C(=O)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1=O ZINC000734971919 660372121 /nfs/dbraw/zinc/37/21/21/660372121.db2.gz FNHUIHNXTDCLIT-UHFFFAOYSA-N -1 0 370.408 -0.093 20 0 FBADRM COCCOCCC(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000734972013 660372116 /nfs/dbraw/zinc/37/21/16/660372116.db2.gz INVHTQWEKYLNFT-UHFFFAOYSA-N -1 0 365.429 -0.052 20 0 FBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CCC1 ZINC000734972167 660372122 /nfs/dbraw/zinc/37/21/22/660372122.db2.gz OVMBBIWKVGIFFV-UHFFFAOYSA-N -1 0 374.440 -0.189 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(N)=O)c2)cc1 ZINC000734972463 660372093 /nfs/dbraw/zinc/37/20/93/660372093.db2.gz CFBQNZMDDWHJPC-UHFFFAOYSA-N -1 0 371.396 -0.364 20 0 FBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000734972548 660372085 /nfs/dbraw/zinc/37/20/85/660372085.db2.gz GCPBJAQBWMKKTM-UHFFFAOYSA-N -1 0 364.401 -0.407 20 0 FBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000734972580 660372095 /nfs/dbraw/zinc/37/20/95/660372095.db2.gz HHKBRGROXWWSRU-UHFFFAOYSA-N -1 0 350.374 -0.749 20 0 FBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000734972798 660372113 /nfs/dbraw/zinc/37/21/13/660372113.db2.gz NQMGFKTUAIOHHS-SECBINFHSA-N -1 0 362.429 -0.190 20 0 FBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000734972799 660372071 /nfs/dbraw/zinc/37/20/71/660372071.db2.gz NQMGFKTUAIOHHS-VIFPVBQESA-N -1 0 362.429 -0.190 20 0 FBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000734972896 660372059 /nfs/dbraw/zinc/37/20/59/660372059.db2.gz QNTLJWPTDZDMDM-UHFFFAOYSA-N -1 0 362.429 -0.189 20 0 FBADRM CCOCCOCC(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000734973049 660372083 /nfs/dbraw/zinc/37/20/83/660372083.db2.gz XRPMUWWCQZOHBP-UHFFFAOYSA-N -1 0 365.429 -0.052 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)Cn2ccccc2=O)cc1 ZINC000734973065 660372074 /nfs/dbraw/zinc/37/20/74/660372074.db2.gz YJELHIIKWOWBTN-UHFFFAOYSA-N -1 0 370.408 -0.243 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)ccc1=O ZINC000734973085 660372090 /nfs/dbraw/zinc/37/20/90/660372090.db2.gz ZQNDLBCVWXRKEM-UHFFFAOYSA-N -1 0 370.408 -0.093 20 0 FBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000734973447 660372118 /nfs/dbraw/zinc/37/21/18/660372118.db2.gz QWRWRKSXJXSKLR-UHFFFAOYSA-N -1 0 357.388 -0.061 20 0 FBADRM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(N)=O)c2)c1 ZINC000734974634 660372124 /nfs/dbraw/zinc/37/21/24/660372124.db2.gz QPUZDKAXNYMNMA-UHFFFAOYSA-N -1 0 364.383 -0.066 20 0 FBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000734975184 660372109 /nfs/dbraw/zinc/37/21/09/660372109.db2.gz RHCRQWCQWCYFGC-UHFFFAOYSA-N -1 0 357.388 -0.109 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCC[S@@](C)=O)cc2)[n-]1 ZINC000735051786 660374038 /nfs/dbraw/zinc/37/40/38/660374038.db2.gz GLCXPKKGQGTLGP-RUZDIDTESA-N -1 0 365.411 -0.011 20 0 FBADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCC[S@](C)=O)cc2)[n-]1 ZINC000735051787 660373973 /nfs/dbraw/zinc/37/39/73/660373973.db2.gz GLCXPKKGQGTLGP-VWLOTQADSA-N -1 0 365.411 -0.011 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)c(=O)n(C)c1=O ZINC000735202710 660376058 /nfs/dbraw/zinc/37/60/58/660376058.db2.gz AEOMSAKQVRYJJG-UHFFFAOYSA-N -1 0 357.775 -0.144 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000735202721 660376124 /nfs/dbraw/zinc/37/61/24/660376124.db2.gz ASQUJCALZIPPPK-UHFFFAOYSA-N -1 0 357.775 -0.144 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)cc1C ZINC000735202758 660376077 /nfs/dbraw/zinc/37/60/77/660376077.db2.gz CCFIBGXPZNITCC-UHFFFAOYSA-N -1 0 351.384 -0.180 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000735202910 660376056 /nfs/dbraw/zinc/37/60/56/660376056.db2.gz IPMUCAIJELRERF-UHFFFAOYSA-N -1 0 365.367 -0.595 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)c(C)c1 ZINC000735203239 660376079 /nfs/dbraw/zinc/37/60/79/660376079.db2.gz ODGPNKBCFQFJRR-UHFFFAOYSA-N -1 0 351.384 -0.180 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)c(=O)n(C)c1=O ZINC000735203292 660376086 /nfs/dbraw/zinc/37/60/86/660376086.db2.gz PUIFMNDCNPGVRD-UHFFFAOYSA-N -1 0 363.804 -0.082 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)c(=O)n(C)c1=O ZINC000735203459 660376040 /nfs/dbraw/zinc/37/60/40/660376040.db2.gz GQVVIGZKNRHPHC-UHFFFAOYSA-N -1 0 363.395 -0.309 20 0 FBADRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000735203545 660376082 /nfs/dbraw/zinc/37/60/82/660376082.db2.gz SADCZHPVLWPHCE-UHFFFAOYSA-N -1 0 351.384 -0.180 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000735203613 660376141 /nfs/dbraw/zinc/37/61/41/660376141.db2.gz IVSJFALKWNNQSF-UHFFFAOYSA-N -1 0 365.367 -0.595 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000735203890 660376043 /nfs/dbraw/zinc/37/60/43/660376043.db2.gz XWVXFPRVFNNNGC-UHFFFAOYSA-N -1 0 367.383 -0.399 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)c(=O)n(C)c1=O ZINC000735203963 660376011 /nfs/dbraw/zinc/37/60/11/660376011.db2.gz OVUDOODNJFUJRS-UHFFFAOYSA-N -1 0 359.310 -0.519 20 0 FBADRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735204338 660376054 /nfs/dbraw/zinc/37/60/54/660376054.db2.gz TZKHSEDSISBKDX-UHFFFAOYSA-N -1 0 366.399 -0.809 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)c(=O)n(C)c1=O ZINC000735204423 660376013 /nfs/dbraw/zinc/37/60/13/660376013.db2.gz VLSQUKCCWCBLCE-UHFFFAOYSA-N -1 0 355.347 -0.517 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000735204447 660376020 /nfs/dbraw/zinc/37/60/20/660376020.db2.gz WHKKVLBDBHTCJS-UHFFFAOYSA-N -1 0 353.356 -0.789 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)c(=O)n(C)c1=O ZINC000735204548 660376109 /nfs/dbraw/zinc/37/61/09/660376109.db2.gz YWQLBEBTJZTEIW-UHFFFAOYSA-N -1 0 357.775 -0.144 20 0 FBADRM COc1cccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000735209983 660376368 /nfs/dbraw/zinc/37/63/68/660376368.db2.gz KFRHSNABPKCDRF-UHFFFAOYSA-N -1 0 353.356 -0.789 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)CCc2ccccc2)c(=O)n(C)c1=O ZINC000735210424 660376265 /nfs/dbraw/zinc/37/62/65/660376265.db2.gz NXBOWPLPNIQSHV-UHFFFAOYSA-N -1 0 351.384 -0.614 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)c(=O)n(C)c1=O ZINC000735210762 660376268 /nfs/dbraw/zinc/37/62/68/660376268.db2.gz OKJODTOXHJYQDE-UHFFFAOYSA-N -1 0 372.790 -0.608 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)c(=O)n(C)c1=O ZINC000735210856 660376213 /nfs/dbraw/zinc/37/62/13/660376213.db2.gz GWYOHRIOYSONSG-UHFFFAOYSA-N -1 0 364.383 -0.879 20 0 FBADRM CCCCN(CCCC)S(=O)(=O)[N-]C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735211463 660376342 /nfs/dbraw/zinc/37/63/42/660376342.db2.gz ODNWNVQZOIRPNY-UHFFFAOYSA-N -1 0 374.463 -0.039 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cn2)c(=O)n(C)c1=O ZINC000735215833 660375863 /nfs/dbraw/zinc/37/58/63/660375863.db2.gz FEICPOCOEZNAOR-UHFFFAOYSA-N -1 0 358.763 -0.749 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000735216149 660375852 /nfs/dbraw/zinc/37/58/52/660375852.db2.gz KUESWRGABABGDL-UHFFFAOYSA-N -1 0 352.372 -0.323 20 0 FBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)nn1-c1ccccc1 ZINC000735216412 660375833 /nfs/dbraw/zinc/37/58/33/660375833.db2.gz MYHMBRGKEASRAU-LLVKDONJSA-N -1 0 364.383 -0.180 20 0 FBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)nn1-c1ccccc1 ZINC000735216413 660375869 /nfs/dbraw/zinc/37/58/69/660375869.db2.gz MYHMBRGKEASRAU-NSHDSACASA-N -1 0 364.383 -0.180 20 0 FBADRM O=C(COC1CCOCC1)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000735395843 660377063 /nfs/dbraw/zinc/37/70/63/660377063.db2.gz GGIIPOHNKJAFEQ-UHFFFAOYSA-N -1 0 367.387 -0.337 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)COC2CCOCC2)CC1 ZINC000735398097 660377057 /nfs/dbraw/zinc/37/70/57/660377057.db2.gz HDJYXLNKSWJZJH-UHFFFAOYSA-N -1 0 364.420 -0.572 20 0 FBADRM C=CC(=O)NCCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C ZINC000735402779 598625282 /nfs/dbraw/zinc/62/52/82/598625282.db2.gz KFOPVGCWTTUYHC-UHFFFAOYSA-N -1 0 359.390 -0.065 20 0 FBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000735403345 660377046 /nfs/dbraw/zinc/37/70/46/660377046.db2.gz GCZNEPCDZYBMPF-UHFFFAOYSA-N -1 0 369.399 -0.086 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)ccc1=O ZINC000735403763 660377103 /nfs/dbraw/zinc/37/71/03/660377103.db2.gz ODYBFPZLRIAXPF-UHFFFAOYSA-N -1 0 361.379 -0.210 20 0 FBADRM O=C(CCN1CCCC1=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000735404046 660377062 /nfs/dbraw/zinc/37/70/62/660377062.db2.gz SIABGZBVUZWWFA-UHFFFAOYSA-N -1 0 365.411 -0.210 20 0 FBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000735404183 660377071 /nfs/dbraw/zinc/37/70/71/660377071.db2.gz HLOILOYVBNQRRB-UHFFFAOYSA-N -1 0 355.372 -0.524 20 0 FBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CCC1 ZINC000735404323 660377084 /nfs/dbraw/zinc/37/70/84/660377084.db2.gz UVSIKCCGTKLJLO-UHFFFAOYSA-N -1 0 365.411 -0.306 20 0 FBADRM CCOCCOCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000735404324 660377073 /nfs/dbraw/zinc/37/70/73/660377073.db2.gz UWRMENQNWWWLLG-UHFFFAOYSA-N -1 0 356.400 -0.170 20 0 FBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000735404397 660377052 /nfs/dbraw/zinc/37/70/52/660377052.db2.gz WLORPUZSIUBLID-UHFFFAOYSA-N -1 0 353.400 -0.306 20 0 FBADRM COc1ncc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cn1 ZINC000735404445 660377121 /nfs/dbraw/zinc/37/71/21/660377121.db2.gz XNHJIEUOONUIJC-UHFFFAOYSA-N -1 0 362.367 -0.110 20 0 FBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000735404669 660377086 /nfs/dbraw/zinc/37/70/86/660377086.db2.gz BZTFHSAVWBQVTN-UHFFFAOYSA-N -1 0 355.372 -0.477 20 0 FBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c[nH]1 ZINC000735404767 660377155 /nfs/dbraw/zinc/37/71/55/660377155.db2.gz OCZFBPAQBJLZPC-UHFFFAOYSA-N -1 0 362.367 -0.482 20 0 FBADRM O=C(Cn1ccccc1=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000735405055 660377058 /nfs/dbraw/zinc/37/70/58/660377058.db2.gz QKYSLWVXWKHMOT-UHFFFAOYSA-N -1 0 361.379 -0.361 20 0 FBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000735405109 660377067 /nfs/dbraw/zinc/37/70/67/660377067.db2.gz RETYHNOAAQVNQY-SECBINFHSA-N -1 0 353.400 -0.308 20 0 FBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000735405111 660377105 /nfs/dbraw/zinc/37/71/05/660377105.db2.gz RETYHNOAAQVNQY-VIFPVBQESA-N -1 0 353.400 -0.308 20 0 FBADRM O=C(CN1CCSC1=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000735405146 660377072 /nfs/dbraw/zinc/37/70/72/660377072.db2.gz FTFROFHWQLAJCS-UHFFFAOYSA-N -1 0 369.424 -0.054 20 0 FBADRM Cn1cccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1=O ZINC000735405879 660377050 /nfs/dbraw/zinc/37/70/50/660377050.db2.gz APLDYCBSTVMOKY-UHFFFAOYSA-N -1 0 361.379 -0.210 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC1=O ZINC000735405924 660377074 /nfs/dbraw/zinc/37/70/74/660377074.db2.gz CNQKHRPVJCIBDC-LLVKDONJSA-N -1 0 365.411 -0.354 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC1=O ZINC000735405926 660377330 /nfs/dbraw/zinc/37/73/30/660377330.db2.gz CNQKHRPVJCIBDC-NSHDSACASA-N -1 0 365.411 -0.354 20 0 FBADRM CC(C)(C)C(=O)NCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000735406017 660377327 /nfs/dbraw/zinc/37/73/27/660377327.db2.gz UCZIITQBIDAZTQ-UHFFFAOYSA-N -1 0 367.427 -0.060 20 0 FBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000735406317 660377309 /nfs/dbraw/zinc/37/73/09/660377309.db2.gz NPVWGFPICNGUKD-UHFFFAOYSA-N -1 0 369.399 -0.086 20 0 FBADRM COCCOCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000735406793 660377336 /nfs/dbraw/zinc/37/73/36/660377336.db2.gz QFSWGUAQLXWQNW-UHFFFAOYSA-N -1 0 356.400 -0.170 20 0 FBADRM O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000735407508 660377308 /nfs/dbraw/zinc/37/73/08/660377308.db2.gz ZUIHCXBXNIIJRL-GFCCVEGCSA-N -1 0 368.411 -0.027 20 0 FBADRM O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000735407509 660377343 /nfs/dbraw/zinc/37/73/43/660377343.db2.gz ZUIHCXBXNIIJRL-LBPRGKRZSA-N -1 0 368.411 -0.027 20 0 FBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000735458300 598976069 /nfs/dbraw/zinc/97/60/69/598976069.db2.gz KGDLYPJQYRVTAN-UHFFFAOYSA-N -1 0 352.376 -0.542 20 0 FBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735458304 598798829 /nfs/dbraw/zinc/79/88/29/598798829.db2.gz KKPSXHBGOHKWTN-UHFFFAOYSA-N -1 0 352.376 -0.709 20 0 FBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735458941 598414361 /nfs/dbraw/zinc/41/43/61/598414361.db2.gz SPVYPGDMYJKHPZ-UHFFFAOYSA-N -1 0 372.794 -0.197 20 0 FBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccn(CCC(N)=O)n1 ZINC000735460484 660377688 /nfs/dbraw/zinc/37/76/88/660377688.db2.gz YQKIYOUCTJLJHX-UHFFFAOYSA-N -1 0 370.391 -0.232 20 0 FBADRM CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000735473430 598975641 /nfs/dbraw/zinc/97/56/41/598975641.db2.gz CGNNEYKNUSYZAT-MRVPVSSYSA-N -1 0 352.376 -0.495 20 0 FBADRM CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000735473439 598975656 /nfs/dbraw/zinc/97/56/56/598975656.db2.gz CGNNEYKNUSYZAT-QMMMGPOBSA-N -1 0 352.376 -0.495 20 0 FBADRM CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735475308 598414092 /nfs/dbraw/zinc/41/40/92/598414092.db2.gz NXLDUROGGFOCNV-LURJTMIESA-N -1 0 372.794 -0.150 20 0 FBADRM CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735475311 598414319 /nfs/dbraw/zinc/41/43/19/598414319.db2.gz NXLDUROGGFOCNV-ZCFIWIBFSA-N -1 0 372.794 -0.150 20 0 FBADRM CC(=O)NC1CCC(Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CC1 ZINC000735476635 598247533 /nfs/dbraw/zinc/24/75/33/598247533.db2.gz ZSHWLPUPLGZIHR-UHFFFAOYSA-N -1 0 362.394 -0.877 20 0 FBADRM CC(=O)NCc1ccc(Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)cc1 ZINC000735483011 598817270 /nfs/dbraw/zinc/81/72/70/598817270.db2.gz ZOEAZLGVLGJIPL-UHFFFAOYSA-N -1 0 370.373 -0.356 20 0 FBADRM O=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cc(=O)[nH][n-]1 ZINC000735521383 660379042 /nfs/dbraw/zinc/37/90/42/660379042.db2.gz DQGJCROCMSWKHS-UHFFFAOYSA-N -1 0 364.427 -0.027 20 0 FBADRM COCCNS(=O)(=O)c1cccc(CNC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000735522488 660378363 /nfs/dbraw/zinc/37/83/63/660378363.db2.gz RHWXFGMFIYQAAR-UHFFFAOYSA-N -1 0 354.388 -0.897 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC000735600398 660379554 /nfs/dbraw/zinc/37/95/54/660379554.db2.gz COVWBLKCBQYPPO-UHFFFAOYSA-N -1 0 373.416 -0.130 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)O[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000735718862 660381099 /nfs/dbraw/zinc/38/10/99/660381099.db2.gz UHVQJGHOPQHXHN-MRVPVSSYSA-N -1 0 359.264 -0.222 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)O[C@H]1CCN(CC(F)(F)F)C1=O ZINC000735718865 660381101 /nfs/dbraw/zinc/38/11/01/660381101.db2.gz UHVQJGHOPQHXHN-QMMMGPOBSA-N -1 0 359.264 -0.222 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCn1ccccc1=O ZINC000735767676 660381142 /nfs/dbraw/zinc/38/11/42/660381142.db2.gz CMPOUAZCGMHJBJ-GFCCVEGCSA-N -1 0 371.415 -0.373 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCn1ccccc1=O ZINC000735767677 660381222 /nfs/dbraw/zinc/38/12/22/660381222.db2.gz CMPOUAZCGMHJBJ-LBPRGKRZSA-N -1 0 371.415 -0.373 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)COC1CCOCC1 ZINC000735768837 660381473 /nfs/dbraw/zinc/38/14/73/660381473.db2.gz PHFSXWPHBVNANO-GFCCVEGCSA-N -1 0 364.420 -0.430 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)COC1CCOCC1 ZINC000735768842 660381481 /nfs/dbraw/zinc/38/14/81/660381481.db2.gz PHFSXWPHBVNANO-LBPRGKRZSA-N -1 0 364.420 -0.430 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)C1(C(=O)NC)CCC1 ZINC000735768882 660381423 /nfs/dbraw/zinc/38/14/23/660381423.db2.gz PYXJSCOKNROTDK-JTQLQIEISA-N -1 0 361.420 -0.709 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)C1(C(=O)NC)CCC1 ZINC000735768883 660381562 /nfs/dbraw/zinc/38/15/62/660381562.db2.gz PYXJSCOKNROTDK-SNVBAGLBSA-N -1 0 361.420 -0.709 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1 ZINC000735769162 660381477 /nfs/dbraw/zinc/38/14/77/660381477.db2.gz RPUYRGPKBSQMRK-GFCCVEGCSA-N -1 0 369.399 -0.212 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1 ZINC000735769163 660381495 /nfs/dbraw/zinc/38/14/95/660381495.db2.gz RPUYRGPKBSQMRK-LBPRGKRZSA-N -1 0 369.399 -0.212 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCNC(=O)OC ZINC000735769164 660381560 /nfs/dbraw/zinc/38/15/60/660381560.db2.gz RQQYNAOMHWIWCD-SECBINFHSA-N -1 0 351.381 -0.879 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCNC(=O)OC ZINC000735769165 660381417 /nfs/dbraw/zinc/38/14/17/660381417.db2.gz RQQYNAOMHWIWCD-VIFPVBQESA-N -1 0 351.381 -0.879 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCN1CCCC1=O ZINC000735769386 660381356 /nfs/dbraw/zinc/38/13/56/660381356.db2.gz SEAJRTLOCDRONU-LLVKDONJSA-N -1 0 361.420 -0.613 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCN1CCCC1=O ZINC000735769387 660381493 /nfs/dbraw/zinc/38/14/93/660381493.db2.gz SEAJRTLOCDRONU-NSHDSACASA-N -1 0 361.420 -0.613 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cnn(C)c1CC ZINC000735769798 660381515 /nfs/dbraw/zinc/38/15/15/660381515.db2.gz WEGBAPBENPSZQZ-GFCCVEGCSA-N -1 0 358.420 -0.015 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cnn(C)c1CC ZINC000735769799 660381464 /nfs/dbraw/zinc/38/14/64/660381464.db2.gz WEGBAPBENPSZQZ-LBPRGKRZSA-N -1 0 358.420 -0.015 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CN(C)C(=O)OC ZINC000735770099 660381475 /nfs/dbraw/zinc/38/14/75/660381475.db2.gz DCRNLAQOHOAEHU-SECBINFHSA-N -1 0 351.381 -0.927 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CN(C)C(=O)OC ZINC000735770100 660381421 /nfs/dbraw/zinc/38/14/21/660381421.db2.gz DCRNLAQOHOAEHU-VIFPVBQESA-N -1 0 351.381 -0.927 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCc1cnn(C)c1 ZINC000735770154 660381485 /nfs/dbraw/zinc/38/14/85/660381485.db2.gz FMIRZRHQFOSJTB-GFCCVEGCSA-N -1 0 358.420 -0.259 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCc1cnn(C)c1 ZINC000735770155 660381365 /nfs/dbraw/zinc/38/13/65/660381365.db2.gz FMIRZRHQFOSJTB-LBPRGKRZSA-N -1 0 358.420 -0.259 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1OC ZINC000735770226 660381391 /nfs/dbraw/zinc/38/13/91/660381391.db2.gz ZGWHQAFIUYCNTJ-JTQLQIEISA-N -1 0 374.419 -0.261 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1OC ZINC000735770227 660381666 /nfs/dbraw/zinc/38/16/66/660381666.db2.gz ZGWHQAFIUYCNTJ-SNVBAGLBSA-N -1 0 374.419 -0.261 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)Cc1c(C)nn(C)c1C ZINC000735770232 660381765 /nfs/dbraw/zinc/38/17/65/660381765.db2.gz ZMLUNZZSQNTKQX-CYBMUJFWSA-N -1 0 372.447 -0.032 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)Cc1c(C)nn(C)c1C ZINC000735770233 660381651 /nfs/dbraw/zinc/38/16/51/660381651.db2.gz ZMLUNZZSQNTKQX-ZDUSSCGKSA-N -1 0 372.447 -0.032 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H](Cc1ccccc1)n1nnnc1C ZINC000735771009 660381750 /nfs/dbraw/zinc/38/17/50/660381750.db2.gz FTRISDVETGTUOS-CYBMUJFWSA-N -1 0 353.404 -0.142 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)[C@H](Cc1ccccc1)n1nnnc1C ZINC000735771014 660381706 /nfs/dbraw/zinc/38/17/06/660381706.db2.gz FTRISDVETGTUOS-ZDUSSCGKSA-N -1 0 353.404 -0.142 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1c[nH]c(C(N)=O)c1 ZINC000735771209 660381698 /nfs/dbraw/zinc/38/16/98/660381698.db2.gz MJINKRIUPRZHSB-JTQLQIEISA-N -1 0 358.376 -0.884 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1c[nH]c(C(N)=O)c1 ZINC000735771210 660381701 /nfs/dbraw/zinc/38/17/01/660381701.db2.gz MJINKRIUPRZHSB-SNVBAGLBSA-N -1 0 358.376 -0.884 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCCCNC(N)=O ZINC000735771668 660381687 /nfs/dbraw/zinc/38/16/87/660381687.db2.gz HDSAYUONRIXMSM-JTQLQIEISA-N -1 0 364.424 -0.787 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCCCNC(N)=O ZINC000735771669 660381643 /nfs/dbraw/zinc/38/16/43/660381643.db2.gz HDSAYUONRIXMSM-SNVBAGLBSA-N -1 0 364.424 -0.787 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCOCCOC ZINC000735771708 660381719 /nfs/dbraw/zinc/38/17/19/660381719.db2.gz IDRIXLHTWUFTEY-LLVKDONJSA-N -1 0 352.409 -0.572 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCOCCOC ZINC000735771709 660381656 /nfs/dbraw/zinc/38/16/56/660381656.db2.gz IDRIXLHTWUFTEY-NSHDSACASA-N -1 0 352.409 -0.572 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000735771919 660381745 /nfs/dbraw/zinc/38/17/45/660381745.db2.gz QIURDSZYGWDEQV-CMPLNLGQSA-N -1 0 373.431 -0.614 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000735771920 660381660 /nfs/dbraw/zinc/38/16/60/660381660.db2.gz QIURDSZYGWDEQV-JQWIXIFHSA-N -1 0 373.431 -0.614 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000735771921 660381722 /nfs/dbraw/zinc/38/17/22/660381722.db2.gz QIURDSZYGWDEQV-PWSUYJOCSA-N -1 0 373.431 -0.614 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000735771922 660381690 /nfs/dbraw/zinc/38/16/90/660381690.db2.gz QIURDSZYGWDEQV-ZYHUDNBSSA-N -1 0 373.431 -0.614 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccc(=O)n(C)c1 ZINC000735772352 660381694 /nfs/dbraw/zinc/38/16/94/660381694.db2.gz TUYGKCSQZAKSCF-LLVKDONJSA-N -1 0 357.388 -0.613 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccc(=O)n(C)c1 ZINC000735772353 660381640 /nfs/dbraw/zinc/38/16/40/660381640.db2.gz TUYGKCSQZAKSCF-NSHDSACASA-N -1 0 357.388 -0.613 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O ZINC000735773010 660381767 /nfs/dbraw/zinc/38/17/67/660381767.db2.gz WOBYIQMCEKCETD-UHFFFAOYSA-N -1 0 353.400 -0.209 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C ZINC000735773877 660381717 /nfs/dbraw/zinc/38/17/17/660381717.db2.gz CPXWXDIUWPCFEX-JTQLQIEISA-N -1 0 363.436 -0.463 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C ZINC000735773878 660381613 /nfs/dbraw/zinc/38/16/13/660381613.db2.gz CPXWXDIUWPCFEX-SNVBAGLBSA-N -1 0 363.436 -0.463 20 0 FBADRM CCOCCOCC(=O)[N-]S(=O)(=O)N1CCC[C@@H]1C(=O)OCC ZINC000735774101 660381676 /nfs/dbraw/zinc/38/16/76/660381676.db2.gz VGZDANCMLVQCIB-LLVKDONJSA-N -1 0 352.409 -0.572 20 0 FBADRM CCOCCOCC(=O)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)OCC ZINC000735774102 660381647 /nfs/dbraw/zinc/38/16/47/660381647.db2.gz VGZDANCMLVQCIB-NSHDSACASA-N -1 0 352.409 -0.572 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccc2nncn2c1 ZINC000735774207 660381704 /nfs/dbraw/zinc/38/17/04/660381704.db2.gz DYLISQVPBVOFJO-LLVKDONJSA-N -1 0 367.387 -0.269 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccc2nncn2c1 ZINC000735774208 660381672 /nfs/dbraw/zinc/38/16/72/660381672.db2.gz DYLISQVPBVOFJO-NSHDSACASA-N -1 0 367.387 -0.269 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CN1CCSC1=O ZINC000735774401 660381710 /nfs/dbraw/zinc/38/17/10/660381710.db2.gz GTYTUSFPENBFHO-SECBINFHSA-N -1 0 365.433 -0.456 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CN1CCSC1=O ZINC000735774402 660381770 /nfs/dbraw/zinc/38/17/70/660381770.db2.gz GTYTUSFPENBFHO-VIFPVBQESA-N -1 0 365.433 -0.456 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cccn(C)c1=O ZINC000735774528 660381663 /nfs/dbraw/zinc/38/16/63/660381663.db2.gz HAFHSLBGAQEDRJ-LLVKDONJSA-N -1 0 357.388 -0.613 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cccn(C)c1=O ZINC000735774530 660381718 /nfs/dbraw/zinc/38/17/18/660381718.db2.gz HAFHSLBGAQEDRJ-NSHDSACASA-N -1 0 357.388 -0.613 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O ZINC000735774590 660381669 /nfs/dbraw/zinc/38/16/69/660381669.db2.gz HPZJAEOEIAOHCB-JTQLQIEISA-N -1 0 370.449 -0.800 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O ZINC000735774591 660381714 /nfs/dbraw/zinc/38/17/14/660381714.db2.gz HPZJAEOEIAOHCB-SNVBAGLBSA-N -1 0 370.449 -0.800 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCCNC(=O)OC ZINC000735775106 660381653 /nfs/dbraw/zinc/38/16/53/660381653.db2.gz NTKBVMWZTDVSON-JTQLQIEISA-N -1 0 365.408 -0.489 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCCNC(=O)OC ZINC000735775107 660381763 /nfs/dbraw/zinc/38/17/63/660381763.db2.gz NTKBVMWZTDVSON-SNVBAGLBSA-N -1 0 365.408 -0.489 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)COC[C@H]1CCCO1 ZINC000735775156 660381923 /nfs/dbraw/zinc/38/19/23/660381923.db2.gz OGKJJFMPKVNNCZ-NEPJUHHUSA-N -1 0 364.420 -0.430 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)COC[C@@H]1CCCO1 ZINC000735775157 660381851 /nfs/dbraw/zinc/38/18/51/660381851.db2.gz OGKJJFMPKVNNCZ-NWDGAFQWSA-N -1 0 364.420 -0.430 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)COC[C@@H]1CCCO1 ZINC000735775158 660381878 /nfs/dbraw/zinc/38/18/78/660381878.db2.gz OGKJJFMPKVNNCZ-RYUDHWBXSA-N -1 0 364.420 -0.430 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)COC[C@H]1CCCO1 ZINC000735775159 660381823 /nfs/dbraw/zinc/38/18/23/660381823.db2.gz OGKJJFMPKVNNCZ-VXGBXAGGSA-N -1 0 364.420 -0.430 20 0 FBADRM CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)OCC ZINC000735777451 660381825 /nfs/dbraw/zinc/38/18/25/660381825.db2.gz YQOXLEPFEIZIJP-NEPJUHHUSA-N -1 0 366.436 -0.184 20 0 FBADRM CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCC[C@@H]1C(=O)OCC ZINC000735777453 660381945 /nfs/dbraw/zinc/38/19/45/660381945.db2.gz YQOXLEPFEIZIJP-NWDGAFQWSA-N -1 0 366.436 -0.184 20 0 FBADRM CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)OCC ZINC000735777456 660381827 /nfs/dbraw/zinc/38/18/27/660381827.db2.gz YQOXLEPFEIZIJP-RYUDHWBXSA-N -1 0 366.436 -0.184 20 0 FBADRM CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)N1CCC[C@@H]1C(=O)OCC ZINC000735777458 660381848 /nfs/dbraw/zinc/38/18/48/660381848.db2.gz YQOXLEPFEIZIJP-VXGBXAGGSA-N -1 0 366.436 -0.184 20 0 FBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000735782318 660381622 /nfs/dbraw/zinc/38/16/22/660381622.db2.gz XGTWNUBGROPDNH-UHFFFAOYSA-N -1 0 361.376 -0.139 20 0 FBADRM CC(C)CC[C@](C)(O)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000735797243 598974575 /nfs/dbraw/zinc/97/45/75/598974575.db2.gz NCCOWAUQSVXYNW-HNNXBMFYSA-N -1 0 351.411 -0.137 20 0 FBADRM CC(C)CC[C@@](C)(O)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000735797246 598974605 /nfs/dbraw/zinc/97/46/05/598974605.db2.gz NCCOWAUQSVXYNW-OAHLLOKOSA-N -1 0 351.411 -0.137 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000735858822 598331037 /nfs/dbraw/zinc/33/10/37/598331037.db2.gz GWEJFKKBCLKSTQ-UHFFFAOYSA-N -1 0 354.392 -0.053 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC000735858837 598331267 /nfs/dbraw/zinc/33/12/67/598331267.db2.gz HQUSCSRUXDNQKY-UHFFFAOYSA-N -1 0 354.392 -0.053 20 0 FBADRM CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC000735903553 599512936 /nfs/dbraw/zinc/51/29/36/599512936.db2.gz IGDLSYMBBXOYNW-UHFFFAOYSA-N -1 0 372.349 -0.578 20 0 FBADRM CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000735912296 660383265 /nfs/dbraw/zinc/38/32/65/660383265.db2.gz WVRMHHJDXZIAKS-UHFFFAOYSA-N -1 0 358.420 -0.376 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCCCC1)C1CCC2(CC1)NC(=O)NC2=O ZINC000735912510 660383281 /nfs/dbraw/zinc/38/32/81/660383281.db2.gz CVMRECBPKSNDSZ-UHFFFAOYSA-N -1 0 358.420 -0.398 20 0 FBADRM CC(C)c1nnc(Sc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)n1C ZINC000735953576 598298316 /nfs/dbraw/zinc/29/83/16/598298316.db2.gz WQMCDUBJTUFPCD-UHFFFAOYSA-N -1 0 363.407 -0.333 20 0 FBADRM C[C@@H](CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)CC1(C)OCCO1 ZINC000736026508 598932819 /nfs/dbraw/zinc/93/28/19/598932819.db2.gz OYXLJDBYBXEDRZ-SECBINFHSA-N -1 0 365.394 -0.535 20 0 FBADRM C[C@H](CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)CC1(C)OCCO1 ZINC000736026509 598932749 /nfs/dbraw/zinc/93/27/49/598932749.db2.gz OYXLJDBYBXEDRZ-VIFPVBQESA-N -1 0 365.394 -0.535 20 0 FBADRM C=CC(=O)NCCNC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1 ZINC000736096652 600266293 /nfs/dbraw/zinc/26/62/93/600266293.db2.gz INQFRWCASQNWMD-UHFFFAOYSA-N -1 0 358.354 -0.175 20 0 FBADRM C[C@@H](NC(=O)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC000736104101 599161137 /nfs/dbraw/zinc/16/11/37/599161137.db2.gz DCXHSVUTYDUKSJ-SECBINFHSA-N -1 0 373.352 -0.409 20 0 FBADRM C[C@H](NC(=O)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC000736104103 599161496 /nfs/dbraw/zinc/16/14/96/599161496.db2.gz DCXHSVUTYDUKSJ-VIFPVBQESA-N -1 0 373.352 -0.409 20 0 FBADRM CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CCN(CC(=O)NCC(=O)[O-])C1 ZINC000736130032 601114595 /nfs/dbraw/zinc/11/45/95/601114595.db2.gz ISHAAVWPTUOYON-GFCCVEGCSA-N -1 0 367.406 -0.183 20 0 FBADRM CC(=O)N(Cc1noc(C(C)C)n1)[C@H]1CCN(CC(=O)NCC(=O)[O-])C1 ZINC000736130034 601114482 /nfs/dbraw/zinc/11/44/82/601114482.db2.gz ISHAAVWPTUOYON-LBPRGKRZSA-N -1 0 367.406 -0.183 20 0 FBADRM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN([C@H](C)C(=O)NCC(=O)[O-])C1 ZINC000736130464 601104661 /nfs/dbraw/zinc/10/46/61/601104661.db2.gz KVFRZOROTJDENV-BXKDBHETSA-N -1 0 353.379 -0.610 20 0 FBADRM CC(=O)N(Cc1noc(C)n1)[C@H]1CCN([C@@H](C)C(=O)NCC(=O)[O-])C1 ZINC000736130466 601104968 /nfs/dbraw/zinc/10/49/68/601104968.db2.gz KVFRZOROTJDENV-CABZTGNLSA-N -1 0 353.379 -0.610 20 0 FBADRM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN([C@@H](C)C(=O)NCC(=O)[O-])C1 ZINC000736130467 601104675 /nfs/dbraw/zinc/10/46/75/601104675.db2.gz KVFRZOROTJDENV-JOYOIKCWSA-N -1 0 353.379 -0.610 20 0 FBADRM CC(=O)N(Cc1noc(C)n1)[C@H]1CCN([C@H](C)C(=O)NCC(=O)[O-])C1 ZINC000736130469 601105103 /nfs/dbraw/zinc/10/51/03/601105103.db2.gz KVFRZOROTJDENV-SKDRFNHKSA-N -1 0 353.379 -0.610 20 0 FBADRM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(CC(=O)NCCC(=O)[O-])C1 ZINC000736131723 601104726 /nfs/dbraw/zinc/10/47/26/601104726.db2.gz WQLCHYVJDFHEJP-GFCCVEGCSA-N -1 0 353.379 -0.608 20 0 FBADRM CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(CC(=O)NCCC(=O)[O-])C1 ZINC000736131725 601104880 /nfs/dbraw/zinc/10/48/80/601104880.db2.gz WQLCHYVJDFHEJP-LBPRGKRZSA-N -1 0 353.379 -0.608 20 0 FBADRM CC(=O)N1CCN(CCNS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000736133683 599797796 /nfs/dbraw/zinc/79/77/96/599797796.db2.gz BEYJYJDYYLBAML-UHFFFAOYSA-N -1 0 369.443 -0.032 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H](CC(C)C)NC(=O)[O-])CC1 ZINC000736133706 602573599 /nfs/dbraw/zinc/57/35/99/602573599.db2.gz BMWZHPIGQVJAGF-CYBMUJFWSA-N -1 0 356.423 -0.134 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[O-])CC1 ZINC000736133707 605706608 /nfs/dbraw/zinc/70/66/08/605706608.db2.gz BMWZHPIGQVJAGF-ZDUSSCGKSA-N -1 0 356.423 -0.134 20 0 FBADRM CC(=O)N1CCN(CCNS(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC000736133734 600648129 /nfs/dbraw/zinc/64/81/29/600648129.db2.gz COJUUGWZSYTMNE-UHFFFAOYSA-N -1 0 369.443 -0.244 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC(CC(=O)[O-])CC2)CC1 ZINC000736133866 600295687 /nfs/dbraw/zinc/29/56/87/600295687.db2.gz DZDMGFOULLOJDV-UHFFFAOYSA-N -1 0 368.434 -0.037 20 0 FBADRM CC(=O)N1CCN(CCNS(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000736133960 600164669 /nfs/dbraw/zinc/16/46/69/600164669.db2.gz HPUQASUUIULKPT-UHFFFAOYSA-N -1 0 369.443 -0.032 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000736133969 600498349 /nfs/dbraw/zinc/49/83/49/600498349.db2.gz ICKCWXBZFQOAEY-CYBMUJFWSA-N -1 0 354.407 -0.427 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000736133970 600751724 /nfs/dbraw/zinc/75/17/24/600751724.db2.gz ICKCWXBZFQOAEY-ZDUSSCGKSA-N -1 0 354.407 -0.427 20 0 FBADRM CC(=O)N1CCN(CCNS(=O)(=O)c2cc(C(=O)[O-])ccc2F)CC1 ZINC000736134412 599797950 /nfs/dbraw/zinc/79/79/50/599797950.db2.gz KVALIHVVSCMQTB-UHFFFAOYSA-N -1 0 373.406 -0.034 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)NC2CCN(C(=O)[O-])CC2)CC1 ZINC000736134427 602598928 /nfs/dbraw/zinc/59/89/28/602598928.db2.gz LGHAAWXVKNEMOA-UHFFFAOYSA-N -1 0 369.422 -0.491 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(C(=O)[O-])CC2)CC1 ZINC000736134476 602600843 /nfs/dbraw/zinc/60/08/43/602600843.db2.gz MQBOBJPDKLUXES-UHFFFAOYSA-N -1 0 355.395 -0.928 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000736134516 600295801 /nfs/dbraw/zinc/29/58/01/600295801.db2.gz NISAFULKQGSWHF-UHFFFAOYSA-N -1 0 354.407 -0.427 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)NCc2ccc(C(=O)[O-])o2)CC1 ZINC000736134717 600531870 /nfs/dbraw/zinc/53/18/70/600531870.db2.gz OJNBLFXPMNJNDX-UHFFFAOYSA-N -1 0 366.374 -0.142 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000736134842 599780095 /nfs/dbraw/zinc/78/00/95/599780095.db2.gz RDOHXGKITCGCGD-UHFFFAOYSA-N -1 0 373.387 -0.663 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000736134882 603260371 /nfs/dbraw/zinc/26/03/71/603260371.db2.gz SEKQAFBMDRTLIG-CYBMUJFWSA-N -1 0 369.422 -0.491 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000736134884 603260288 /nfs/dbraw/zinc/26/02/88/603260288.db2.gz SEKQAFBMDRTLIG-ZDUSSCGKSA-N -1 0 369.422 -0.491 20 0 FBADRM CC(=O)N1CCN(C(=O)Cn2nnc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000736134892 600989958 /nfs/dbraw/zinc/98/99/58/600989958.db2.gz SNYWQWNLOFMMLD-UHFFFAOYSA-N -1 0 358.358 -0.271 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)NCCSCC(=O)[O-])CC1 ZINC000736135112 599782478 /nfs/dbraw/zinc/78/24/78/599782478.db2.gz WTIXNYYXLJWAFG-UHFFFAOYSA-N -1 0 360.436 -0.816 20 0 FBADRM CC(=O)N1CCN(CCNS(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000736135383 599797884 /nfs/dbraw/zinc/79/78/84/599797884.db2.gz YQRSXEQVRJCDQP-UHFFFAOYSA-N -1 0 361.445 -0.111 20 0 FBADRM C[C@@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C(=O)Nc1ccccc1 ZINC000736137199 598747312 /nfs/dbraw/zinc/74/73/12/598747312.db2.gz IRPDCRZKDFBONV-SECBINFHSA-N -1 0 370.373 -0.297 20 0 FBADRM C[C@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C(=O)Nc1ccccc1 ZINC000736137203 598747441 /nfs/dbraw/zinc/74/74/41/598747441.db2.gz IRPDCRZKDFBONV-VIFPVBQESA-N -1 0 370.373 -0.297 20 0 FBADRM CC(=O)N1CCc2cc(NC(=O)C(=O)N3CCO[C@H](C(=O)[O-])C3)ccc21 ZINC000736137495 600054122 /nfs/dbraw/zinc/05/41/22/600054122.db2.gz ABGZKRCUQMALHP-AWEZNQCLSA-N -1 0 361.354 -0.154 20 0 FBADRM CC(=O)N1CCc2cc(NC(=O)C(=O)N3CCO[C@@H](C(=O)[O-])C3)ccc21 ZINC000736137499 600054056 /nfs/dbraw/zinc/05/40/56/600054056.db2.gz ABGZKRCUQMALHP-CQSZACIVSA-N -1 0 361.354 -0.154 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CCO1 ZINC000736147182 600327353 /nfs/dbraw/zinc/32/73/53/600327353.db2.gz DVFJGBVWVFBCCY-LLVKDONJSA-N -1 0 367.333 -0.174 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CCO1 ZINC000736147183 600327763 /nfs/dbraw/zinc/32/77/63/600327763.db2.gz DVFJGBVWVFBCCY-NSHDSACASA-N -1 0 367.333 -0.174 20 0 FBADRM CC(=O)NC[C@@H]1CN(CC(=O)Nc2nc(CC(=O)[O-])cs2)CCO1 ZINC000736147252 600410750 /nfs/dbraw/zinc/41/07/50/600410750.db2.gz HJTCAPHWDDJDRJ-LLVKDONJSA-N -1 0 356.404 -0.454 20 0 FBADRM CC(=O)NC[C@H]1CN(CC(=O)Nc2nc(CC(=O)[O-])cs2)CCO1 ZINC000736147253 600410959 /nfs/dbraw/zinc/41/09/59/600410959.db2.gz HJTCAPHWDDJDRJ-NSHDSACASA-N -1 0 356.404 -0.454 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000736147599 599908666 /nfs/dbraw/zinc/90/86/66/599908666.db2.gz DPVSDVLBOAVEKM-JTQLQIEISA-N -1 0 354.388 -0.164 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000736147601 599908573 /nfs/dbraw/zinc/90/85/73/599908573.db2.gz DPVSDVLBOAVEKM-SNVBAGLBSA-N -1 0 354.388 -0.164 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000736147798 660386832 /nfs/dbraw/zinc/38/68/32/660386832.db2.gz MARWWAUIPNMKNI-GFCCVEGCSA-N -1 0 351.359 -0.996 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000736148111 660386863 /nfs/dbraw/zinc/38/68/63/660386863.db2.gz MARWWAUIPNMKNI-LBPRGKRZSA-N -1 0 351.359 -0.996 20 0 FBADRM CC(=O)NC[C@@H]1CN(CCCN2C(=O)CS/C2=C\C(=O)[O-])CCO1 ZINC000736148121 600410887 /nfs/dbraw/zinc/41/08/87/600410887.db2.gz MLKRZPGTWLZTTA-AISSWFOISA-N -1 0 357.432 -0.285 20 0 FBADRM CC(=O)NC[C@H]1CN(CCCN2C(=O)CS/C2=C\C(=O)[O-])CCO1 ZINC000736148125 600410872 /nfs/dbraw/zinc/41/08/72/600410872.db2.gz MLKRZPGTWLZTTA-OBTCNRAFSA-N -1 0 357.432 -0.285 20 0 FBADRM CC(=O)NC[C@H]1CN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])CCO1 ZINC000736148127 600396953 /nfs/dbraw/zinc/39/69/53/600396953.db2.gz MLUBEHCCKZKHFX-JTQLQIEISA-N -1 0 357.388 -0.627 20 0 FBADRM CC(=O)NC[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])CCO1 ZINC000736148128 600397132 /nfs/dbraw/zinc/39/71/32/600397132.db2.gz MLUBEHCCKZKHFX-SNVBAGLBSA-N -1 0 357.388 -0.627 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736148164 600264916 /nfs/dbraw/zinc/26/49/16/600264916.db2.gz GUOKNRVZYLLJGD-CHWSQXEVSA-N -1 0 351.403 -0.173 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736148167 600264947 /nfs/dbraw/zinc/26/49/47/600264947.db2.gz GUOKNRVZYLLJGD-OLZOCXBDSA-N -1 0 351.403 -0.173 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736148169 600264886 /nfs/dbraw/zinc/26/48/86/600264886.db2.gz GUOKNRVZYLLJGD-QWHCGFSZSA-N -1 0 351.403 -0.173 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736148172 600264892 /nfs/dbraw/zinc/26/48/92/600264892.db2.gz GUOKNRVZYLLJGD-STQMWFEESA-N -1 0 351.403 -0.173 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1nnc(CCC(=O)[O-])s1 ZINC000736148225 600631995 /nfs/dbraw/zinc/63/19/95/600631995.db2.gz HYFLLFLTOAEIIU-SECBINFHSA-N -1 0 369.403 -0.379 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1nnc(CCC(=O)[O-])s1 ZINC000736148228 600632276 /nfs/dbraw/zinc/63/22/76/600632276.db2.gz HYFLLFLTOAEIIU-VIFPVBQESA-N -1 0 369.403 -0.379 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2C)CCO1 ZINC000736148674 600471473 /nfs/dbraw/zinc/47/14/73/600471473.db2.gz RFBUIHCSHHGHHS-CYBMUJFWSA-N -1 0 363.370 -0.005 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2C)CCO1 ZINC000736148676 600471488 /nfs/dbraw/zinc/47/14/88/600471488.db2.gz RFBUIHCSHHGHHS-ZDUSSCGKSA-N -1 0 363.370 -0.005 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2C)CCO1 ZINC000736148750 600471469 /nfs/dbraw/zinc/47/14/69/600471469.db2.gz RYKXWFYCOHSJPG-GFCCVEGCSA-N -1 0 363.370 -0.005 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2C)CCO1 ZINC000736148754 600471647 /nfs/dbraw/zinc/47/16/47/600471647.db2.gz RYKXWFYCOHSJPG-LBPRGKRZSA-N -1 0 363.370 -0.005 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)CCO1 ZINC000736148792 600471657 /nfs/dbraw/zinc/47/16/57/600471657.db2.gz SHNSLZLHFQGRMB-LLVKDONJSA-N -1 0 367.333 -0.174 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)CCO1 ZINC000736148794 600471574 /nfs/dbraw/zinc/47/15/74/600471574.db2.gz SHNSLZLHFQGRMB-NSHDSACASA-N -1 0 367.333 -0.174 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)CCO1 ZINC000736149288 600471690 /nfs/dbraw/zinc/47/16/90/600471690.db2.gz WZOZECQKLFTZEJ-AWEZNQCLSA-N -1 0 363.370 -0.384 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)CCO1 ZINC000736149289 600471515 /nfs/dbraw/zinc/47/15/15/600471515.db2.gz WZOZECQKLFTZEJ-CQSZACIVSA-N -1 0 363.370 -0.384 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCO1 ZINC000736149399 600327544 /nfs/dbraw/zinc/32/75/44/600327544.db2.gz YVQCLFWIBVREED-LLVKDONJSA-N -1 0 367.333 -0.174 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCO1 ZINC000736149402 600327284 /nfs/dbraw/zinc/32/72/84/600327284.db2.gz YVQCLFWIBVREED-NSHDSACASA-N -1 0 367.333 -0.174 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCO1 ZINC000736149676 600471521 /nfs/dbraw/zinc/47/15/21/600471521.db2.gz ZJBQOMXHFWORRS-CYBMUJFWSA-N -1 0 363.370 -0.005 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCO1 ZINC000736149678 600471510 /nfs/dbraw/zinc/47/15/10/600471510.db2.gz ZJBQOMXHFWORRS-ZDUSSCGKSA-N -1 0 363.370 -0.005 20 0 FBADRM CC(=O)NC[C@@H]1CN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)CCO1 ZINC000736149684 600410970 /nfs/dbraw/zinc/41/09/70/600410970.db2.gz ZNGDBMJPNLTPGO-GDBMZVCRSA-N -1 0 352.387 -0.039 20 0 FBADRM CC(=O)NC[C@@H]1CN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)CCO1 ZINC000736149686 600410857 /nfs/dbraw/zinc/41/08/57/600410857.db2.gz ZNGDBMJPNLTPGO-GOEBONIOSA-N -1 0 352.387 -0.039 20 0 FBADRM CC(=O)NC[C@H]1CN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)CCO1 ZINC000736149688 600410867 /nfs/dbraw/zinc/41/08/67/600410867.db2.gz ZNGDBMJPNLTPGO-HOCLYGCPSA-N -1 0 352.387 -0.039 20 0 FBADRM CC(=O)NC[C@H]1CN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)CCO1 ZINC000736149690 600410722 /nfs/dbraw/zinc/41/07/22/600410722.db2.gz ZNGDBMJPNLTPGO-ZBFHGGJFSA-N -1 0 352.387 -0.039 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000736150363 599926892 /nfs/dbraw/zinc/92/68/92/599926892.db2.gz SJFNZSOITPTMPH-GJZGRUSLSA-N -1 0 361.398 -0.074 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000736150366 599927039 /nfs/dbraw/zinc/92/70/39/599927039.db2.gz SJFNZSOITPTMPH-LSDHHAIUSA-N -1 0 361.398 -0.074 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000736153143 600483806 /nfs/dbraw/zinc/48/38/06/600483806.db2.gz YFXUWOZHFRFOBI-AWEZNQCLSA-N -1 0 363.370 -0.102 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000736153145 600483747 /nfs/dbraw/zinc/48/37/47/600483747.db2.gz YFXUWOZHFRFOBI-CQSZACIVSA-N -1 0 363.370 -0.102 20 0 FBADRM CC(=O)N[C@@H](CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C(N)=O ZINC000736155824 600681324 /nfs/dbraw/zinc/68/13/24/600681324.db2.gz LEQOIFHQOOWRFD-UONOGXRCSA-N -1 0 360.370 -0.340 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCCC(=O)[O-])s1 ZINC000736155861 600941088 /nfs/dbraw/zinc/94/10/88/600941088.db2.gz MVDJKXMFVBOSEG-UHFFFAOYSA-N -1 0 363.417 -0.747 20 0 FBADRM CC(=O)N[C@@H](CC(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-])C(N)=O ZINC000736156232 600667892 /nfs/dbraw/zinc/66/78/92/600667892.db2.gz TXLLDOWWJFDMDU-AAEUAGOBSA-N -1 0 351.359 -0.868 20 0 FBADRM CC(=O)N[C@@H](CC(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-])C(N)=O ZINC000736156235 600667810 /nfs/dbraw/zinc/66/78/10/600667810.db2.gz TXLLDOWWJFDMDU-YPMHNXCESA-N -1 0 351.359 -0.868 20 0 FBADRM O=C(NC1(c2nnn[n-]2)CCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000736160017 660387025 /nfs/dbraw/zinc/38/70/25/660387025.db2.gz JKBXTQDQVURSMJ-UHFFFAOYSA-N -1 0 363.403 -0.417 20 0 FBADRM CC(=O)Nc1cc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])ccc1C ZINC000736160731 600220685 /nfs/dbraw/zinc/22/06/85/600220685.db2.gz HGLADHDYUKXDPL-CYBMUJFWSA-N -1 0 369.399 -0.083 20 0 FBADRM CC(=O)Nc1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])ccc1C ZINC000736160734 600220482 /nfs/dbraw/zinc/22/04/82/600220482.db2.gz HGLADHDYUKXDPL-ZDUSSCGKSA-N -1 0 369.399 -0.083 20 0 FBADRM CC(=O)Nc1cc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])ccc1F ZINC000736160835 600264557 /nfs/dbraw/zinc/26/45/57/600264557.db2.gz KSNKBXXOHLCYSV-GFCCVEGCSA-N -1 0 373.362 -0.252 20 0 FBADRM CC(=O)Nc1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])ccc1F ZINC000736160836 600264493 /nfs/dbraw/zinc/26/44/93/600264493.db2.gz KSNKBXXOHLCYSV-LBPRGKRZSA-N -1 0 373.362 -0.252 20 0 FBADRM C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000736168375 598857855 /nfs/dbraw/zinc/85/78/55/598857855.db2.gz JUUAOROOUTWQND-BXKDBHETSA-N -1 0 367.387 -0.131 20 0 FBADRM C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000736168380 598857883 /nfs/dbraw/zinc/85/78/83/598857883.db2.gz JUUAOROOUTWQND-CABZTGNLSA-N -1 0 367.387 -0.131 20 0 FBADRM C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000736168383 598857941 /nfs/dbraw/zinc/85/79/41/598857941.db2.gz JUUAOROOUTWQND-JOYOIKCWSA-N -1 0 367.387 -0.131 20 0 FBADRM C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000736168388 598857848 /nfs/dbraw/zinc/85/78/48/598857848.db2.gz JUUAOROOUTWQND-SKDRFNHKSA-N -1 0 367.387 -0.131 20 0 FBADRM CC(=O)Nc1nc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cs1 ZINC000736168872 600263316 /nfs/dbraw/zinc/26/33/16/600263316.db2.gz JQJVZPXSIAGSMH-UHFFFAOYSA-N -1 0 356.404 -0.040 20 0 FBADRM C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000736169111 598622884 /nfs/dbraw/zinc/62/28/84/598622884.db2.gz JUTXGJGMIIAZCN-BXKDBHETSA-N -1 0 371.361 -0.253 20 0 FBADRM C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000736169112 598622737 /nfs/dbraw/zinc/62/27/37/598622737.db2.gz JUTXGJGMIIAZCN-CABZTGNLSA-N -1 0 371.361 -0.253 20 0 FBADRM C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000736169113 598623034 /nfs/dbraw/zinc/62/30/34/598623034.db2.gz JUTXGJGMIIAZCN-JOYOIKCWSA-N -1 0 371.361 -0.253 20 0 FBADRM C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000736169114 598622836 /nfs/dbraw/zinc/62/28/36/598622836.db2.gz JUTXGJGMIIAZCN-SKDRFNHKSA-N -1 0 371.361 -0.253 20 0 FBADRM CC(=O)c1[nH]c(CC(=O)N2CC[C@H](NS(C)(=O)=O)C2)c(C(=O)[O-])c1C ZINC000736172234 600259270 /nfs/dbraw/zinc/25/92/70/600259270.db2.gz DTUICWAIXBJAON-JTQLQIEISA-N -1 0 371.415 -0.083 20 0 FBADRM CC(=O)c1[nH]c(CC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c(C(=O)[O-])c1C ZINC000736172238 600259212 /nfs/dbraw/zinc/25/92/12/600259212.db2.gz DTUICWAIXBJAON-SNVBAGLBSA-N -1 0 371.415 -0.083 20 0 FBADRM CC(=O)c1[nH]c(CC(=O)OCC(=O)N2CCNC2=O)c(C(=O)[O-])c1C ZINC000736178434 599985418 /nfs/dbraw/zinc/98/54/18/599985418.db2.gz GESBTUZSPJHTOK-UHFFFAOYSA-N -1 0 351.315 -0.139 20 0 FBADRM CC(=O)c1[nH]c(CC(=O)O[C@@H]2CC(=O)N(CC(N)=O)C2)c(C(=O)[O-])c1C ZINC000736178437 600243695 /nfs/dbraw/zinc/24/36/95/600243695.db2.gz GGUMLDIOIOKMJO-SECBINFHSA-N -1 0 365.342 -0.604 20 0 FBADRM CC(=O)c1[nH]c(CC(=O)O[C@H]2CC(=O)N(CC(N)=O)C2)c(C(=O)[O-])c1C ZINC000736178441 600243789 /nfs/dbraw/zinc/24/37/89/600243789.db2.gz GGUMLDIOIOKMJO-VIFPVBQESA-N -1 0 365.342 -0.604 20 0 FBADRM CC(=O)c1[nH]c(CC(=O)Nc2cn(C)c(=O)n(C)c2=O)c(C(=O)[O-])c1C ZINC000736178568 600675130 /nfs/dbraw/zinc/67/51/30/600675130.db2.gz HUKYCPKQWAOJST-UHFFFAOYSA-N -1 0 362.342 -0.197 20 0 FBADRM CC(=O)c1[nH]c(CC(=O)NCCCN2C(=O)CNC2=O)c(C(=O)[O-])c1C ZINC000736178937 599851692 /nfs/dbraw/zinc/85/16/92/599851692.db2.gz XNTIKNZYPLRNIK-UHFFFAOYSA-N -1 0 364.358 -0.175 20 0 FBADRM CC(=O)c1[nH]c(CC(=O)NCCN2C(=O)CNC2=O)c(C(=O)[O-])c1C ZINC000736179086 600633465 /nfs/dbraw/zinc/63/34/65/600633465.db2.gz ZIDFGZUZMMPILE-UHFFFAOYSA-N -1 0 350.331 -0.566 20 0 FBADRM CC(=O)c1[nH]c(CC(=O)N2CCN(S(N)(=O)=O)CC2)c(C(=O)[O-])c1C ZINC000736181429 599799559 /nfs/dbraw/zinc/79/95/59/599799559.db2.gz MDWQQYUPMGYCLB-UHFFFAOYSA-N -1 0 372.403 -0.886 20 0 FBADRM CC(=O)c1[nH]c(CC(=O)N2CCCN(CC(N)=O)CC2)c(C(=O)[O-])c1C ZINC000736182553 600073941 /nfs/dbraw/zinc/07/39/41/600073941.db2.gz QHCKVWJNWZSEGI-UHFFFAOYSA-N -1 0 364.402 -0.214 20 0 FBADRM C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000736185334 598858186 /nfs/dbraw/zinc/85/81/86/598858186.db2.gz UTXFAPLIGFXCQZ-NXEZZACHSA-N -1 0 367.387 -0.131 20 0 FBADRM C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000736185338 598858178 /nfs/dbraw/zinc/85/81/78/598858178.db2.gz UTXFAPLIGFXCQZ-UWVGGRQHSA-N -1 0 367.387 -0.131 20 0 FBADRM C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000736185343 598857967 /nfs/dbraw/zinc/85/79/67/598857967.db2.gz UTXFAPLIGFXCQZ-VHSXEESVSA-N -1 0 367.387 -0.131 20 0 FBADRM C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000736185347 598858031 /nfs/dbraw/zinc/85/80/31/598858031.db2.gz UTXFAPLIGFXCQZ-ZJUUUORDSA-N -1 0 367.387 -0.131 20 0 FBADRM C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000736186187 598689692 /nfs/dbraw/zinc/68/96/92/598689692.db2.gz XSYVXNZEDBPJLX-BXKDBHETSA-N -1 0 371.361 -0.253 20 0 FBADRM C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000736186190 598689905 /nfs/dbraw/zinc/68/99/05/598689905.db2.gz XSYVXNZEDBPJLX-CABZTGNLSA-N -1 0 371.361 -0.253 20 0 FBADRM C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000736186193 598689913 /nfs/dbraw/zinc/68/99/13/598689913.db2.gz XSYVXNZEDBPJLX-JOYOIKCWSA-N -1 0 371.361 -0.253 20 0 FBADRM C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000736186197 598689618 /nfs/dbraw/zinc/68/96/18/598689618.db2.gz XSYVXNZEDBPJLX-SKDRFNHKSA-N -1 0 371.361 -0.253 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC000736192725 599743995 /nfs/dbraw/zinc/74/39/95/599743995.db2.gz WVBXEPNYGOEOGQ-GFCCVEGCSA-N -1 0 358.372 -0.881 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC000736192765 599744153 /nfs/dbraw/zinc/74/41/53/599744153.db2.gz WVBXEPNYGOEOGQ-LBPRGKRZSA-N -1 0 358.372 -0.881 20 0 FBADRM C[C@@H](c1ccccc1)[C@@H](CO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736202547 598628025 /nfs/dbraw/zinc/62/80/25/598628025.db2.gz JPPCKECGYMHBEJ-CMPLNLGQSA-N -1 0 371.401 -0.159 20 0 FBADRM C[C@@H](c1ccccc1)[C@H](CO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736202548 598628256 /nfs/dbraw/zinc/62/82/56/598628256.db2.gz JPPCKECGYMHBEJ-JQWIXIFHSA-N -1 0 371.401 -0.159 20 0 FBADRM C[C@H](c1ccccc1)[C@H](CO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736202553 598628175 /nfs/dbraw/zinc/62/81/75/598628175.db2.gz JPPCKECGYMHBEJ-PWSUYJOCSA-N -1 0 371.401 -0.159 20 0 FBADRM C[C@H](c1ccccc1)[C@@H](CO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736202557 598628244 /nfs/dbraw/zinc/62/82/44/598628244.db2.gz JPPCKECGYMHBEJ-ZYHUDNBSSA-N -1 0 371.401 -0.159 20 0 FBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000736203527 599971445 /nfs/dbraw/zinc/97/14/45/599971445.db2.gz DGTZDPVZBBDZLJ-GXTWGEPZSA-N -1 0 351.407 -0.309 20 0 FBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCO[C@H](Cn2cncn2)C1 ZINC000736203531 599971308 /nfs/dbraw/zinc/97/13/08/599971308.db2.gz DGTZDPVZBBDZLJ-JSGCOSHPSA-N -1 0 351.407 -0.309 20 0 FBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCO[C@H](Cn2cncn2)C1 ZINC000736203534 599971545 /nfs/dbraw/zinc/97/15/45/599971545.db2.gz DGTZDPVZBBDZLJ-OCCSQVGLSA-N -1 0 351.407 -0.309 20 0 FBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000736203537 599971313 /nfs/dbraw/zinc/97/13/13/599971313.db2.gz DGTZDPVZBBDZLJ-TZMCWYRMSA-N -1 0 351.407 -0.309 20 0 FBADRM C[C@H](C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])N1C(=O)NC2(CCCC2)C1=O ZINC000736204580 599817124 /nfs/dbraw/zinc/81/71/24/599817124.db2.gz IVIFXTPPTBDQQS-NXEZZACHSA-N -1 0 366.374 -0.959 20 0 FBADRM C[C@@H](C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])N1C(=O)NC2(CCCC2)C1=O ZINC000736204581 599817079 /nfs/dbraw/zinc/81/70/79/599817079.db2.gz IVIFXTPPTBDQQS-UWVGGRQHSA-N -1 0 366.374 -0.959 20 0 FBADRM C[C@@H](C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])N1C(=O)NC2(CCCC2)C1=O ZINC000736204582 599817175 /nfs/dbraw/zinc/81/71/75/599817175.db2.gz IVIFXTPPTBDQQS-VHSXEESVSA-N -1 0 366.374 -0.959 20 0 FBADRM C[C@H](C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])N1C(=O)NC2(CCCC2)C1=O ZINC000736204583 599817189 /nfs/dbraw/zinc/81/71/89/599817189.db2.gz IVIFXTPPTBDQQS-ZJUUUORDSA-N -1 0 366.374 -0.959 20 0 FBADRM C[C@H](C(=O)NC1CCCC1)N1CCN(Cn2cnc(C(=O)[O-])n2)CC1 ZINC000736205842 600077609 /nfs/dbraw/zinc/07/76/09/600077609.db2.gz AHTMQCASOSJXOQ-GFCCVEGCSA-N -1 0 350.423 -0.001 20 0 FBADRM C[C@@H](C(=O)NC1CCCC1)N1CCN(Cn2cnc(C(=O)[O-])n2)CC1 ZINC000736205844 600077747 /nfs/dbraw/zinc/07/77/47/600077747.db2.gz AHTMQCASOSJXOQ-LBPRGKRZSA-N -1 0 350.423 -0.001 20 0 FBADRM C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCO[C@@H](C(=O)[O-])C1 ZINC000736206701 599973161 /nfs/dbraw/zinc/97/31/61/599973161.db2.gz XNHYWIYHJUOJAN-GXTWGEPZSA-N -1 0 365.386 -0.262 20 0 FBADRM C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCO[C@H](C(=O)[O-])C1 ZINC000736206702 599973313 /nfs/dbraw/zinc/97/33/13/599973313.db2.gz XNHYWIYHJUOJAN-JSGCOSHPSA-N -1 0 365.386 -0.262 20 0 FBADRM C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCO[C@H](C(=O)[O-])C1 ZINC000736206703 599973051 /nfs/dbraw/zinc/97/30/51/599973051.db2.gz XNHYWIYHJUOJAN-OCCSQVGLSA-N -1 0 365.386 -0.262 20 0 FBADRM C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCO[C@@H](C(=O)[O-])C1 ZINC000736206704 599973343 /nfs/dbraw/zinc/97/33/43/599973343.db2.gz XNHYWIYHJUOJAN-TZMCWYRMSA-N -1 0 365.386 -0.262 20 0 FBADRM C[C@H](C(=O)NCC(=O)[O-])n1c(=O)oc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000736206783 600026152 /nfs/dbraw/zinc/02/61/52/600026152.db2.gz FJEFRCDHLLOWQQ-MRVPVSSYSA-N -1 0 371.371 -0.393 20 0 FBADRM C[C@@H](C(=O)NCC(=O)[O-])n1c(=O)oc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000736206784 600025876 /nfs/dbraw/zinc/02/58/76/600025876.db2.gz FJEFRCDHLLOWQQ-QMMMGPOBSA-N -1 0 371.371 -0.393 20 0 FBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000736207155 600103198 /nfs/dbraw/zinc/10/31/98/600103198.db2.gz GIYNDLWIZPHJLA-CHWSQXEVSA-N -1 0 354.451 -0.359 20 0 FBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000736207157 600103319 /nfs/dbraw/zinc/10/33/19/600103319.db2.gz GIYNDLWIZPHJLA-OLZOCXBDSA-N -1 0 354.451 -0.359 20 0 FBADRM C[C@H](C(=O)NC1CCCC1)N1CCN([C@@H](C)C(=O)NCC(=O)[O-])CC1 ZINC000736207158 600103461 /nfs/dbraw/zinc/10/34/61/600103461.db2.gz GIYNDLWIZPHJLA-QWHCGFSZSA-N -1 0 354.451 -0.359 20 0 FBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000736207160 600103201 /nfs/dbraw/zinc/10/32/01/600103201.db2.gz GIYNDLWIZPHJLA-STQMWFEESA-N -1 0 354.451 -0.359 20 0 FBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000736207212 599978946 /nfs/dbraw/zinc/97/89/46/599978946.db2.gz GSFCNWLHVNVDEV-AWEZNQCLSA-N -1 0 368.478 -0.016 20 0 FBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000736207213 599979009 /nfs/dbraw/zinc/97/90/09/599979009.db2.gz GSFCNWLHVNVDEV-CQSZACIVSA-N -1 0 368.478 -0.016 20 0 FBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000736207286 599964449 /nfs/dbraw/zinc/96/44/49/599964449.db2.gz HXJQKAPWLSKVIT-CYBMUJFWSA-N -1 0 354.451 -0.358 20 0 FBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000736207287 599964725 /nfs/dbraw/zinc/96/47/25/599964725.db2.gz HXJQKAPWLSKVIT-ZDUSSCGKSA-N -1 0 354.451 -0.358 20 0 FBADRM C[C@H](C(=O)NC1CCCC1)N1CCN(CC(=O)NCCC(=O)[O-])CC1 ZINC000736207871 600103393 /nfs/dbraw/zinc/10/33/93/600103393.db2.gz KNGUQRVUWUNMRH-CYBMUJFWSA-N -1 0 354.451 -0.358 20 0 FBADRM C[C@@H](C(=O)NC1CCCC1)N1CCN(CC(=O)NCCC(=O)[O-])CC1 ZINC000736207873 600103134 /nfs/dbraw/zinc/10/31/34/600103134.db2.gz KNGUQRVUWUNMRH-ZDUSSCGKSA-N -1 0 354.451 -0.358 20 0 FBADRM C[C@H](C(=O)NC1CCCC1)N1CCN(Cn2cc(C(=O)[O-])nn2)CC1 ZINC000736209422 600077359 /nfs/dbraw/zinc/07/73/59/600077359.db2.gz UIVPVUDLEUGZSK-GFCCVEGCSA-N -1 0 350.423 -0.001 20 0 FBADRM C[C@@H](C(=O)NC1CCCC1)N1CCN(Cn2cc(C(=O)[O-])nn2)CC1 ZINC000736209424 600077501 /nfs/dbraw/zinc/07/75/01/600077501.db2.gz UIVPVUDLEUGZSK-LBPRGKRZSA-N -1 0 350.423 -0.001 20 0 FBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000736209742 599972061 /nfs/dbraw/zinc/97/20/61/599972061.db2.gz VVAKRPDBTLYPLJ-CABCVRRESA-N -1 0 365.430 -0.367 20 0 FBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000736209767 599972077 /nfs/dbraw/zinc/97/20/77/599972077.db2.gz VVAKRPDBTLYPLJ-GJZGRUSLSA-N -1 0 365.430 -0.367 20 0 FBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000736209769 599972213 /nfs/dbraw/zinc/97/22/13/599972213.db2.gz VVAKRPDBTLYPLJ-HUUCEWRRSA-N -1 0 365.430 -0.367 20 0 FBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000736209770 599971974 /nfs/dbraw/zinc/97/19/74/599971974.db2.gz VVAKRPDBTLYPLJ-LSDHHAIUSA-N -1 0 365.430 -0.367 20 0 FBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCCSCC(=O)[O-])CC1 ZINC000736209906 599901771 /nfs/dbraw/zinc/90/17/71/599901771.db2.gz BIOIOCBMDOEAAI-LLVKDONJSA-N -1 0 358.464 -0.202 20 0 FBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCCSCC(=O)[O-])CC1 ZINC000736209908 599901876 /nfs/dbraw/zinc/90/18/76/599901876.db2.gz BIOIOCBMDOEAAI-NSHDSACASA-N -1 0 358.464 -0.202 20 0 FBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000736210197 600542265 /nfs/dbraw/zinc/54/22/65/600542265.db2.gz WWGVGZVTEVVXCT-GDBMZVCRSA-N -1 0 374.441 -0.001 20 0 FBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000736210199 600542242 /nfs/dbraw/zinc/54/22/42/600542242.db2.gz WWGVGZVTEVVXCT-GOEBONIOSA-N -1 0 374.441 -0.001 20 0 FBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000736210201 600542390 /nfs/dbraw/zinc/54/23/90/600542390.db2.gz WWGVGZVTEVVXCT-HOCLYGCPSA-N -1 0 374.441 -0.001 20 0 FBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000736210204 600542396 /nfs/dbraw/zinc/54/23/96/600542396.db2.gz WWGVGZVTEVVXCT-ZBFHGGJFSA-N -1 0 374.441 -0.001 20 0 FBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000736210288 600317135 /nfs/dbraw/zinc/31/71/35/600317135.db2.gz XKURAUGXXPZBDB-CYBMUJFWSA-N -1 0 373.417 -0.631 20 0 FBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000736210291 600317131 /nfs/dbraw/zinc/31/71/31/600317131.db2.gz XKURAUGXXPZBDB-ZDUSSCGKSA-N -1 0 373.417 -0.631 20 0 FBADRM C[C@@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000736210452 599767833 /nfs/dbraw/zinc/76/78/33/599767833.db2.gz DYNNDIJVJOGGIR-JTQLQIEISA-N -1 0 371.415 -0.049 20 0 FBADRM C[C@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000736210454 599768026 /nfs/dbraw/zinc/76/80/26/599768026.db2.gz DYNNDIJVJOGGIR-SNVBAGLBSA-N -1 0 371.415 -0.049 20 0 FBADRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000736214565 601102026 /nfs/dbraw/zinc/10/20/26/601102026.db2.gz JTPYZFUSMAGJNV-BMLIUANNSA-N -1 0 360.370 -0.327 20 0 FBADRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000736214569 601102013 /nfs/dbraw/zinc/10/20/13/601102013.db2.gz JTPYZFUSMAGJNV-BTDLBPIBSA-N -1 0 360.370 -0.327 20 0 FBADRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000736214574 601102121 /nfs/dbraw/zinc/10/21/21/601102121.db2.gz JTPYZFUSMAGJNV-DYZYQPBXSA-N -1 0 360.370 -0.327 20 0 FBADRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000736214578 601102237 /nfs/dbraw/zinc/10/22/37/601102237.db2.gz JTPYZFUSMAGJNV-QGHHPUGFSA-N -1 0 360.370 -0.327 20 0 FBADRM C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCO[C@@H](C(=O)[O-])C1 ZINC000736218117 599976775 /nfs/dbraw/zinc/97/67/75/599976775.db2.gz KNIATTFKCCDARK-BXKDBHETSA-N -1 0 357.388 -0.554 20 0 FBADRM C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCO[C@H](C(=O)[O-])C1 ZINC000736218118 599976849 /nfs/dbraw/zinc/97/68/49/599976849.db2.gz KNIATTFKCCDARK-CABZTGNLSA-N -1 0 357.388 -0.554 20 0 FBADRM C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCO[C@@H](C(=O)[O-])C1 ZINC000736218119 599976970 /nfs/dbraw/zinc/97/69/70/599976970.db2.gz KNIATTFKCCDARK-JOYOIKCWSA-N -1 0 357.388 -0.554 20 0 FBADRM C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCO[C@H](C(=O)[O-])C1 ZINC000736218120 599976931 /nfs/dbraw/zinc/97/69/31/599976931.db2.gz KNIATTFKCCDARK-SKDRFNHKSA-N -1 0 357.388 -0.554 20 0 FBADRM C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCO[C@@H](C(=O)[O-])C1 ZINC000736218159 599973065 /nfs/dbraw/zinc/97/30/65/599973065.db2.gz LRPCYKBLABEBMH-BXKDBHETSA-N -1 0 357.388 -0.554 20 0 FBADRM C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCO[C@H](C(=O)[O-])C1 ZINC000736218160 599973091 /nfs/dbraw/zinc/97/30/91/599973091.db2.gz LRPCYKBLABEBMH-CABZTGNLSA-N -1 0 357.388 -0.554 20 0 FBADRM C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCO[C@@H](C(=O)[O-])C1 ZINC000736218161 599973299 /nfs/dbraw/zinc/97/32/99/599973299.db2.gz LRPCYKBLABEBMH-JOYOIKCWSA-N -1 0 357.388 -0.554 20 0 FBADRM C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCO[C@H](C(=O)[O-])C1 ZINC000736218162 599973127 /nfs/dbraw/zinc/97/31/27/599973127.db2.gz LRPCYKBLABEBMH-SKDRFNHKSA-N -1 0 357.388 -0.554 20 0 FBADRM C[C@H](C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1)n1cncn1 ZINC000736219401 600493613 /nfs/dbraw/zinc/49/36/13/600493613.db2.gz XKUBZBGUDMQELP-SECBINFHSA-N -1 0 353.360 -0.159 20 0 FBADRM C[C@@H](C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1)n1cncn1 ZINC000736219402 600493646 /nfs/dbraw/zinc/49/36/46/600493646.db2.gz XKUBZBGUDMQELP-VIFPVBQESA-N -1 0 353.360 -0.159 20 0 FBADRM C[C@H](C(=O)Nc1n[nH]c(CC(=O)[O-])n1)N1C(=O)NC2(CCCC2)C1=O ZINC000736219504 600536170 /nfs/dbraw/zinc/53/61/70/600536170.db2.gz PMQGTQSDGUHOKF-SSDOTTSWSA-N -1 0 350.335 -0.377 20 0 FBADRM C[C@@H](C(=O)Nc1n[nH]c(CC(=O)[O-])n1)N1C(=O)NC2(CCCC2)C1=O ZINC000736219505 600536153 /nfs/dbraw/zinc/53/61/53/600536153.db2.gz PMQGTQSDGUHOKF-ZETCQYMHSA-N -1 0 350.335 -0.377 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736224200 600293666 /nfs/dbraw/zinc/29/36/66/600293666.db2.gz PDGBUFKNFHLTOV-NXEZZACHSA-N -1 0 364.402 -0.576 20 0 FBADRM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736224206 600293328 /nfs/dbraw/zinc/29/33/28/600293328.db2.gz PDGBUFKNFHLTOV-UWVGGRQHSA-N -1 0 364.402 -0.576 20 0 FBADRM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736224209 600293518 /nfs/dbraw/zinc/29/35/18/600293518.db2.gz PDGBUFKNFHLTOV-VHSXEESVSA-N -1 0 364.402 -0.576 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736224214 600293366 /nfs/dbraw/zinc/29/33/66/600293366.db2.gz PDGBUFKNFHLTOV-ZJUUUORDSA-N -1 0 364.402 -0.576 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736225086 600089107 /nfs/dbraw/zinc/08/91/07/600089107.db2.gz VYOLVGIFVZPKSR-SECBINFHSA-N -1 0 372.381 -0.049 20 0 FBADRM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736225089 600089285 /nfs/dbraw/zinc/08/92/85/600089285.db2.gz VYOLVGIFVZPKSR-VIFPVBQESA-N -1 0 372.381 -0.049 20 0 FBADRM C[C@H](C(=O)OCC(=O)NCCC(=O)[O-])N1C(=O)NC2(CCCC2)C1=O ZINC000736227586 599884949 /nfs/dbraw/zinc/88/49/49/599884949.db2.gz WDFIFRBIFSCLQE-SECBINFHSA-N -1 0 355.347 -0.626 20 0 FBADRM C[C@@H](C(=O)OCC(=O)NCCC(=O)[O-])N1C(=O)NC2(CCCC2)C1=O ZINC000736227588 599885206 /nfs/dbraw/zinc/88/52/06/599885206.db2.gz WDFIFRBIFSCLQE-VIFPVBQESA-N -1 0 355.347 -0.626 20 0 FBADRM CC1CCC(NS(=O)(=O)CC(=O)N2CCOC[C@@H]2c2nnn[n-]2)CC1 ZINC000736238175 660388177 /nfs/dbraw/zinc/38/81/77/660388177.db2.gz CMIJCFTZIPXENW-HTAVTVPLSA-N -1 0 372.451 -0.402 20 0 FBADRM CC1CCC(NS(=O)(=O)CC(=O)N2CCOC[C@H]2c2nnn[n-]2)CC1 ZINC000736238176 660388104 /nfs/dbraw/zinc/38/81/04/660388104.db2.gz CMIJCFTZIPXENW-MCIGGMRASA-N -1 0 372.451 -0.402 20 0 FBADRM CC1CCC(NS(=O)(=O)C=C([O-])n2ncc(-c3nn[nH]n3)c2N)CC1 ZINC000736238823 598555469 /nfs/dbraw/zinc/55/54/69/598555469.db2.gz DVCJPKIPZPFWMD-UHFFFAOYSA-N -1 0 368.423 -0.216 20 0 FBADRM CC(C)(C)[C@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000736241183 600532525 /nfs/dbraw/zinc/53/25/25/600532525.db2.gz HVVUTDWEOCPVOK-BXKDBHETSA-N -1 0 373.431 -0.233 20 0 FBADRM CC(C)(C)[C@@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000736241185 600520549 /nfs/dbraw/zinc/52/05/49/600520549.db2.gz HVVUTDWEOCPVOK-CABZTGNLSA-N -1 0 373.431 -0.233 20 0 FBADRM CC(C)(C)[C@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000736241186 600532299 /nfs/dbraw/zinc/53/22/99/600532299.db2.gz HVVUTDWEOCPVOK-JOYOIKCWSA-N -1 0 373.431 -0.233 20 0 FBADRM CC(C)(C)[C@@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000736241187 600520519 /nfs/dbraw/zinc/52/05/19/600520519.db2.gz HVVUTDWEOCPVOK-SKDRFNHKSA-N -1 0 373.431 -0.233 20 0 FBADRM CC(C)(C)[C@H](NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000736241694 600646201 /nfs/dbraw/zinc/64/62/01/600646201.db2.gz JNUINTNZTNFZIP-CKYFFXLPSA-N -1 0 360.432 -0.363 20 0 FBADRM CC(C)(C)[C@H](NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000736241702 600646241 /nfs/dbraw/zinc/64/62/41/600646241.db2.gz JNUINTNZTNFZIP-HOSYDEDBSA-N -1 0 360.432 -0.363 20 0 FBADRM CC(C)(C)[C@H](NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000736241706 600646154 /nfs/dbraw/zinc/64/61/54/600646154.db2.gz JNUINTNZTNFZIP-JBLDHEPKSA-N -1 0 360.432 -0.363 20 0 FBADRM CC(C)(C)[C@H](NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000736241710 600646185 /nfs/dbraw/zinc/64/61/85/600646185.db2.gz JNUINTNZTNFZIP-JFGNBEQYSA-N -1 0 360.432 -0.363 20 0 FBADRM CC(C)(C)[C@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC000736241826 600645879 /nfs/dbraw/zinc/64/58/79/600645879.db2.gz KYPONIYEKOHUHV-GXTWGEPZSA-N -1 0 355.435 -0.217 20 0 FBADRM CC(C)(C)[C@@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC000736241829 600645733 /nfs/dbraw/zinc/64/57/33/600645733.db2.gz KYPONIYEKOHUHV-JSGCOSHPSA-N -1 0 355.435 -0.217 20 0 FBADRM CC(C)(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC000736241831 600645763 /nfs/dbraw/zinc/64/57/63/600645763.db2.gz KYPONIYEKOHUHV-OCCSQVGLSA-N -1 0 355.435 -0.217 20 0 FBADRM CC(C)(C)[C@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC000736241833 600645943 /nfs/dbraw/zinc/64/59/43/600645943.db2.gz KYPONIYEKOHUHV-TZMCWYRMSA-N -1 0 355.435 -0.217 20 0 FBADRM CC(C)(C)[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000736257644 600519362 /nfs/dbraw/zinc/51/93/62/600519362.db2.gz YXTBMSPDJALIKH-GFCCVEGCSA-N -1 0 365.386 -0.037 20 0 FBADRM CC(C)(C)[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000736257645 600519426 /nfs/dbraw/zinc/51/94/26/600519426.db2.gz YXTBMSPDJALIKH-LBPRGKRZSA-N -1 0 365.386 -0.037 20 0 FBADRM CC(C)(C)N1C[C@H](C(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1=O ZINC000736260701 600264420 /nfs/dbraw/zinc/26/44/20/600264420.db2.gz IMNWSNOSLXPZCC-CYBMUJFWSA-N -1 0 355.435 -0.121 20 0 FBADRM CC(C)(C)N1C[C@@H](C(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1=O ZINC000736260702 600264221 /nfs/dbraw/zinc/26/42/21/600264221.db2.gz IMNWSNOSLXPZCC-ZDUSSCGKSA-N -1 0 355.435 -0.121 20 0 FBADRM CC(C)(C)NC(=O)CN1CCN(C(=O)Cn2cnc(C(=O)[O-])n2)CC1 ZINC000736261779 600475013 /nfs/dbraw/zinc/47/50/13/600475013.db2.gz RMYSGFJTHKUYNZ-UHFFFAOYSA-N -1 0 352.395 -0.965 20 0 FBADRM CC(C)(C)NS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736262100 599770024 /nfs/dbraw/zinc/77/00/24/599770024.db2.gz DVGCYPZASMQVOA-UHFFFAOYSA-N -1 0 354.406 -0.026 20 0 FBADRM CC(C)(C)NS(=O)(=O)CC(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000736262519 600087984 /nfs/dbraw/zinc/08/79/84/600087984.db2.gz JSQNWGBFCMMFPX-UHFFFAOYSA-N -1 0 364.420 -0.429 20 0 FBADRM CC(C)(C)NC(=O)NC(=O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000736263277 600031890 /nfs/dbraw/zinc/03/18/90/600031890.db2.gz VCKXQESSOUPSIK-UHFFFAOYSA-N -1 0 350.335 -0.698 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)NCCC(=O)[O-] ZINC000736268603 600452678 /nfs/dbraw/zinc/45/26/78/600452678.db2.gz QZGVOAOMYBRATB-NXEZZACHSA-N -1 0 360.363 -0.509 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)NCCC(=O)[O-] ZINC000736268610 600452642 /nfs/dbraw/zinc/45/26/42/600452642.db2.gz QZGVOAOMYBRATB-UWVGGRQHSA-N -1 0 360.363 -0.509 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)NCCC(=O)[O-] ZINC000736268613 600452428 /nfs/dbraw/zinc/45/24/28/600452428.db2.gz QZGVOAOMYBRATB-VHSXEESVSA-N -1 0 360.363 -0.509 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)OCC(=O)NCCC(=O)[O-] ZINC000736268614 600452639 /nfs/dbraw/zinc/45/26/39/600452639.db2.gz QZGVOAOMYBRATB-ZJUUUORDSA-N -1 0 360.363 -0.509 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)CCNC(=O)[O-])CC1 ZINC000736277922 599725075 /nfs/dbraw/zinc/72/50/75/599725075.db2.gz CNWUOHDKTBBQRH-UHFFFAOYSA-N -1 0 358.395 -0.160 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@@H](C(=O)[O-])C2)C(=O)C1 ZINC000736278809 600785508 /nfs/dbraw/zinc/78/55/08/600785508.db2.gz LAHQLKYSSWAVRT-LLVKDONJSA-N -1 0 355.391 -0.001 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@H](C(=O)[O-])C2)C(=O)C1 ZINC000736278811 600785542 /nfs/dbraw/zinc/78/55/42/600785542.db2.gz LAHQLKYSSWAVRT-NSHDSACASA-N -1 0 355.391 -0.001 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)C(=O)C1 ZINC000736279704 600786265 /nfs/dbraw/zinc/78/62/65/600786265.db2.gz QQMHZHIYMZMTHC-LLVKDONJSA-N -1 0 371.390 -0.622 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCO[C@H](C(=O)[O-])C2)C(=O)C1 ZINC000736279709 600786556 /nfs/dbraw/zinc/78/65/56/600786556.db2.gz QQMHZHIYMZMTHC-NSHDSACASA-N -1 0 371.390 -0.622 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(C(=O)[O-])CC2)C(=O)C1 ZINC000736279794 603012334 /nfs/dbraw/zinc/01/23/34/603012334.db2.gz ROWLNXPAYNZHEH-UHFFFAOYSA-N -1 0 370.406 -0.112 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000736280682 600075496 /nfs/dbraw/zinc/07/54/96/600075496.db2.gz ZMFILFZISSEDEN-GHMZBOCLSA-N -1 0 355.391 -0.097 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000736280686 600075850 /nfs/dbraw/zinc/07/58/50/600075850.db2.gz ZMFILFZISSEDEN-MNOVXSKESA-N -1 0 355.391 -0.097 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000736280689 600075550 /nfs/dbraw/zinc/07/55/50/600075550.db2.gz ZMFILFZISSEDEN-QWRGUYRKSA-N -1 0 355.391 -0.097 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000736280692 600075723 /nfs/dbraw/zinc/07/57/23/600075723.db2.gz ZMFILFZISSEDEN-WDEREUQCSA-N -1 0 355.391 -0.097 20 0 FBADRM CC(C)(C)OC(=O)NCCOCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000736283394 600429409 /nfs/dbraw/zinc/42/94/09/600429409.db2.gz KINUATHAHRJCRG-JTQLQIEISA-N -1 0 359.379 -0.671 20 0 FBADRM CC(C)(C)OC(=O)NCCOCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000736283395 600429257 /nfs/dbraw/zinc/42/92/57/600429257.db2.gz KINUATHAHRJCRG-SNVBAGLBSA-N -1 0 359.379 -0.671 20 0 FBADRM CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000736288656 600602012 /nfs/dbraw/zinc/60/20/12/600602012.db2.gz OCAVHVSOXQHEBS-SNVBAGLBSA-N -1 0 357.388 -0.112 20 0 FBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000736301283 598977569 /nfs/dbraw/zinc/97/75/69/598977569.db2.gz BGWUSDAGHOBDJD-SECBINFHSA-N -1 0 366.403 -0.105 20 0 FBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000736301284 598977372 /nfs/dbraw/zinc/97/73/72/598977372.db2.gz BGWUSDAGHOBDJD-VIFPVBQESA-N -1 0 366.403 -0.105 20 0 FBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736303209 598786162 /nfs/dbraw/zinc/78/61/62/598786162.db2.gz KFHQRBKURQWHEN-SECBINFHSA-N -1 0 366.403 -0.273 20 0 FBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736303212 598785965 /nfs/dbraw/zinc/78/59/65/598785965.db2.gz KFHQRBKURQWHEN-VIFPVBQESA-N -1 0 366.403 -0.273 20 0 FBADRM CC(C)(CC(=O)[O-])NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000736309748 600778571 /nfs/dbraw/zinc/77/85/71/600778571.db2.gz HRNIJCXWTGYODI-SECBINFHSA-N -1 0 359.404 -0.479 20 0 FBADRM CC(C)(CC(=O)[O-])NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000736309749 600778356 /nfs/dbraw/zinc/77/83/56/600778356.db2.gz HRNIJCXWTGYODI-VIFPVBQESA-N -1 0 359.404 -0.479 20 0 FBADRM CC(C)(CC(=O)[O-])NC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000736313100 600789911 /nfs/dbraw/zinc/78/99/11/600789911.db2.gz VNUWOYGISRDBAB-UHFFFAOYSA-N -1 0 371.371 -0.389 20 0 FBADRM CC(C)(CCC(=O)[O-])NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000736317025 600381516 /nfs/dbraw/zinc/38/15/16/600381516.db2.gz KGFXNTHTLXYXIZ-JTQLQIEISA-N -1 0 373.431 -0.089 20 0 FBADRM CC(C)(CCC(=O)[O-])NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000736317027 600381416 /nfs/dbraw/zinc/38/14/16/600381416.db2.gz KGFXNTHTLXYXIZ-SNVBAGLBSA-N -1 0 373.431 -0.089 20 0 FBADRM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000736317299 600416390 /nfs/dbraw/zinc/41/63/90/600416390.db2.gz SVVPAYYKNLRDNZ-CYBMUJFWSA-N -1 0 355.435 -0.073 20 0 FBADRM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000736317301 600416425 /nfs/dbraw/zinc/41/64/25/600416425.db2.gz SVVPAYYKNLRDNZ-ZDUSSCGKSA-N -1 0 355.435 -0.073 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1)NS(C)(=O)=O ZINC000736320170 600099321 /nfs/dbraw/zinc/09/93/21/600099321.db2.gz IYIKQBPUFUXBEW-UHFFFAOYSA-N -1 0 357.388 -0.233 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1)NS(C)(=O)=O ZINC000736320393 600099172 /nfs/dbraw/zinc/09/91/72/600099172.db2.gz QQOBMZINONFFMV-UHFFFAOYSA-N -1 0 371.415 -0.304 20 0 FBADRM CC(C)(NC(=O)[O-])C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 ZINC000736324010 603053886 /nfs/dbraw/zinc/05/38/86/603053886.db2.gz BFDPNXADUFASKQ-UHFFFAOYSA-N -1 0 356.408 -0.333 20 0 FBADRM CC(C)(NC(=O)[O-])C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000736327834 602250777 /nfs/dbraw/zinc/25/07/77/602250777.db2.gz ITWQZWPYXAPQNK-UHFFFAOYSA-N -1 0 364.406 -0.322 20 0 FBADRM CC(C)(NC(=O)[O-])C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000736330919 600156302 /nfs/dbraw/zinc/15/63/02/600156302.db2.gz CVXBJOZFPMYQTL-UHFFFAOYSA-N -1 0 362.386 -0.079 20 0 FBADRM CC(C)(NC(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000736332268 602546030 /nfs/dbraw/zinc/54/60/30/602546030.db2.gz SRCMLYYTISXHLF-JTQLQIEISA-N -1 0 351.425 -0.363 20 0 FBADRM CC(C)(NC(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000736332270 602545927 /nfs/dbraw/zinc/54/59/27/602545927.db2.gz SRCMLYYTISXHLF-SNVBAGLBSA-N -1 0 351.425 -0.363 20 0 FBADRM CC(C)(NC(=O)[O-])C(=O)OCC(=O)N1CCN(c2cnccn2)CC1 ZINC000736333958 599865027 /nfs/dbraw/zinc/86/50/27/599865027.db2.gz VDZBTFSFPHZKGX-UHFFFAOYSA-N -1 0 351.363 -0.285 20 0 FBADRM CC(C)(NC(=O)[O-])C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000736335897 599863317 /nfs/dbraw/zinc/86/33/17/599863317.db2.gz BIXZUUWIBHWYFK-UHFFFAOYSA-N -1 0 359.360 -0.138 20 0 FBADRM CC(C)(NC(=O)[O-])C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000736336988 599865041 /nfs/dbraw/zinc/86/50/41/599865041.db2.gz OATXMFSXASWICH-UHFFFAOYSA-N -1 0 359.360 -0.138 20 0 FBADRM CC(C)(NC(=O)[O-])C(=O)OCC(=O)Nc1ccccc1S(N)(=O)=O ZINC000736336999 602039109 /nfs/dbraw/zinc/03/91/09/602039109.db2.gz OQEUHHDMHWBJDK-UHFFFAOYSA-N -1 0 359.360 -0.138 20 0 FBADRM CC(C)(NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)C(=O)[O-] ZINC000736339506 599994598 /nfs/dbraw/zinc/99/45/98/599994598.db2.gz RBRBZOMQMUSWIF-UHFFFAOYSA-N -1 0 351.344 -0.309 20 0 FBADRM CC(C)(O)CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000736341125 600347407 /nfs/dbraw/zinc/34/74/07/600347407.db2.gz KCKFUSLOKIKEKX-UHFFFAOYSA-N -1 0 351.359 -0.745 20 0 FBADRM CC(C)(O)CNC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000736341246 600347489 /nfs/dbraw/zinc/34/74/89/600347489.db2.gz QOPJGXGILIUTPZ-UHFFFAOYSA-N -1 0 351.359 -0.283 20 0 FBADRM CC(C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000736349787 600349410 /nfs/dbraw/zinc/34/94/10/600349410.db2.gz PIKSKXDQNWJZCM-KRWDZBQOSA-N -1 0 365.386 -0.037 20 0 FBADRM CC(C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000736349788 600349233 /nfs/dbraw/zinc/34/92/33/600349233.db2.gz PIKSKXDQNWJZCM-QGZVFWFLSA-N -1 0 365.386 -0.037 20 0 FBADRM CC(C)[C@@H](NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000736358602 600247387 /nfs/dbraw/zinc/24/73/87/600247387.db2.gz KSYGSQVGIGTBFG-DZGCQCFKSA-N -1 0 355.435 -0.075 20 0 FBADRM CC(C)[C@H](NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000736358604 600247452 /nfs/dbraw/zinc/24/74/52/600247452.db2.gz KSYGSQVGIGTBFG-HIFRSBDPSA-N -1 0 355.435 -0.075 20 0 FBADRM CC(C)[C@@H](NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000736358606 600247213 /nfs/dbraw/zinc/24/72/13/600247213.db2.gz KSYGSQVGIGTBFG-UKRRQHHQSA-N -1 0 355.435 -0.075 20 0 FBADRM CC(C)[C@H](NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000736358608 600247140 /nfs/dbraw/zinc/24/71/40/600247140.db2.gz KSYGSQVGIGTBFG-ZFWWWQNUSA-N -1 0 355.435 -0.075 20 0 FBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000736361928 599843455 /nfs/dbraw/zinc/84/34/55/599843455.db2.gz JYQDQUBRHRQBJH-GFCCVEGCSA-N -1 0 354.407 -0.428 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000736361930 601861416 /nfs/dbraw/zinc/86/14/16/601861416.db2.gz JYQDQUBRHRQBJH-LBPRGKRZSA-N -1 0 354.407 -0.428 20 0 FBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000736362650 603226153 /nfs/dbraw/zinc/22/61/53/603226153.db2.gz HBSSWJJECDVRIF-GXTWGEPZSA-N -1 0 356.423 -0.672 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000736362651 603225982 /nfs/dbraw/zinc/22/59/82/603225982.db2.gz HBSSWJJECDVRIF-JSGCOSHPSA-N -1 0 356.423 -0.672 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000736362652 603226040 /nfs/dbraw/zinc/22/60/40/603226040.db2.gz HBSSWJJECDVRIF-OCCSQVGLSA-N -1 0 356.423 -0.672 20 0 FBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000736362653 603226030 /nfs/dbraw/zinc/22/60/30/603226030.db2.gz HBSSWJJECDVRIF-TZMCWYRMSA-N -1 0 356.423 -0.672 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000736363302 602361619 /nfs/dbraw/zinc/36/16/19/602361619.db2.gz JUHMQRHPRAKSNR-AWEZNQCLSA-N -1 0 356.423 -0.718 20 0 FBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000736363305 599841587 /nfs/dbraw/zinc/84/15/87/599841587.db2.gz JUHMQRHPRAKSNR-CQSZACIVSA-N -1 0 356.423 -0.718 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000736366552 601874794 /nfs/dbraw/zinc/87/47/94/601874794.db2.gz YUIJGLUQEJTVPJ-AWEZNQCLSA-N -1 0 368.390 -0.902 20 0 FBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000736366553 599844327 /nfs/dbraw/zinc/84/43/27/599844327.db2.gz YUIJGLUQEJTVPJ-CQSZACIVSA-N -1 0 368.390 -0.902 20 0 FBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 ZINC000736366634 603113747 /nfs/dbraw/zinc/11/37/47/603113747.db2.gz WIBFHTCISNFTGG-LLVKDONJSA-N -1 0 370.435 -0.087 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 ZINC000736366635 603113998 /nfs/dbraw/zinc/11/39/98/603113998.db2.gz WIBFHTCISNFTGG-NSHDSACASA-N -1 0 370.435 -0.087 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000736367231 602345681 /nfs/dbraw/zinc/34/56/81/602345681.db2.gz ZCCWEHRMPVNFJL-AWEZNQCLSA-N -1 0 356.423 -0.718 20 0 FBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000736367232 599840925 /nfs/dbraw/zinc/84/09/25/599840925.db2.gz ZCCWEHRMPVNFJL-CQSZACIVSA-N -1 0 356.423 -0.718 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000736370213 602546096 /nfs/dbraw/zinc/54/60/96/602546096.db2.gz MHHDSXDHBUMXFW-NEPJUHHUSA-N -1 0 365.452 -0.117 20 0 FBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000736370215 602545851 /nfs/dbraw/zinc/54/58/51/602545851.db2.gz MHHDSXDHBUMXFW-NWDGAFQWSA-N -1 0 365.452 -0.117 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000736370216 602545948 /nfs/dbraw/zinc/54/59/48/602545948.db2.gz MHHDSXDHBUMXFW-RYUDHWBXSA-N -1 0 365.452 -0.117 20 0 FBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000736370218 602545879 /nfs/dbraw/zinc/54/58/79/602545879.db2.gz MHHDSXDHBUMXFW-VXGBXAGGSA-N -1 0 365.452 -0.117 20 0 FBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000736371308 599843940 /nfs/dbraw/zinc/84/39/40/599843940.db2.gz TVMYXRVQWACAGN-CYBMUJFWSA-N -1 0 350.375 -0.190 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000736371309 601857426 /nfs/dbraw/zinc/85/74/26/601857426.db2.gz TVMYXRVQWACAGN-ZDUSSCGKSA-N -1 0 350.375 -0.190 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000736371704 602516966 /nfs/dbraw/zinc/51/69/66/602516966.db2.gz VVQFWYWCUJKALO-JTQLQIEISA-N -1 0 353.466 -0.227 20 0 FBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000736371706 602516754 /nfs/dbraw/zinc/51/67/54/602516754.db2.gz VVQFWYWCUJKALO-SNVBAGLBSA-N -1 0 353.466 -0.227 20 0 FBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000736376952 599883957 /nfs/dbraw/zinc/88/39/57/599883957.db2.gz AQXAPALRDOVOGO-SECBINFHSA-N -1 0 367.362 -0.731 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000736376960 604373719 /nfs/dbraw/zinc/37/37/19/604373719.db2.gz AQXAPALRDOVOGO-VIFPVBQESA-N -1 0 367.362 -0.731 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)OCC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000736378945 604381274 /nfs/dbraw/zinc/38/12/74/604381274.db2.gz CBPUUEHGUAANNC-AWEZNQCLSA-N -1 0 372.422 -0.946 20 0 FBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)OCC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000736378958 600207839 /nfs/dbraw/zinc/20/78/39/600207839.db2.gz CBPUUEHGUAANNC-CQSZACIVSA-N -1 0 372.422 -0.946 20 0 FBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000736379446 600913426 /nfs/dbraw/zinc/91/34/26/600913426.db2.gz DAZRZBXGPAXWMF-CYBMUJFWSA-N -1 0 353.379 -0.027 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000736379450 600913429 /nfs/dbraw/zinc/91/34/29/600913429.db2.gz DAZRZBXGPAXWMF-ZDUSSCGKSA-N -1 0 353.379 -0.027 20 0 FBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)OCCN(C)S(=O)(=O)N1CCOCC1 ZINC000736380262 602684334 /nfs/dbraw/zinc/68/43/34/602684334.db2.gz PXROJXRWSBZSEV-LLVKDONJSA-N -1 0 367.424 -0.669 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)OCCN(C)S(=O)(=O)N1CCOCC1 ZINC000736380271 604376005 /nfs/dbraw/zinc/37/60/05/604376005.db2.gz PXROJXRWSBZSEV-NSHDSACASA-N -1 0 367.424 -0.669 20 0 FBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000736382017 602983404 /nfs/dbraw/zinc/98/34/04/602983404.db2.gz NUTBPTBUXJLSJX-CYBMUJFWSA-N -1 0 353.379 -0.027 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000736382018 602983381 /nfs/dbraw/zinc/98/33/81/602983381.db2.gz NUTBPTBUXJLSJX-ZDUSSCGKSA-N -1 0 353.379 -0.027 20 0 FBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000736383102 600213198 /nfs/dbraw/zinc/21/31/98/600213198.db2.gz UWTAMXIXRAIFJX-CYBMUJFWSA-N -1 0 355.391 -0.097 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000736383103 604384621 /nfs/dbraw/zinc/38/46/21/604384621.db2.gz UWTAMXIXRAIFJX-ZDUSSCGKSA-N -1 0 355.391 -0.097 20 0 FBADRM CC(C)[C@@H](OC(=O)CCNC(=O)[O-])C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000736387846 600200539 /nfs/dbraw/zinc/20/05/39/600200539.db2.gz AGHIERYDXOQHAO-BXUZGUMPSA-N -1 0 364.420 -0.095 20 0 FBADRM CC(C)[C@H](OC(=O)CCNC(=O)[O-])C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000736387848 600200587 /nfs/dbraw/zinc/20/05/87/600200587.db2.gz AGHIERYDXOQHAO-FZMZJTMJSA-N -1 0 364.420 -0.095 20 0 FBADRM CC(C)[C@@H](OC(=O)CCNC(=O)[O-])C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000736387849 600200802 /nfs/dbraw/zinc/20/08/02/600200802.db2.gz AGHIERYDXOQHAO-RISCZKNCSA-N -1 0 364.420 -0.095 20 0 FBADRM CC(C)[C@H](OC(=O)CCNC(=O)[O-])C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000736387852 600200534 /nfs/dbraw/zinc/20/05/34/600200534.db2.gz AGHIERYDXOQHAO-SMDDNHRTSA-N -1 0 364.420 -0.095 20 0 FBADRM CC(C)[C@@H](OC(=O)CCCNC(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000736387873 600195598 /nfs/dbraw/zinc/19/55/98/600195598.db2.gz ANKQSVPZOBKDSJ-CMPLNLGQSA-N -1 0 364.420 -0.095 20 0 FBADRM CC(C)[C@H](OC(=O)CCCNC(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000736387875 600195738 /nfs/dbraw/zinc/19/57/38/600195738.db2.gz ANKQSVPZOBKDSJ-JQWIXIFHSA-N -1 0 364.420 -0.095 20 0 FBADRM CC(C)[C@H](OC(=O)CCCNC(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000736387877 600195568 /nfs/dbraw/zinc/19/55/68/600195568.db2.gz ANKQSVPZOBKDSJ-PWSUYJOCSA-N -1 0 364.420 -0.095 20 0 FBADRM CC(C)[C@@H](OC(=O)CCCNC(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000736387878 600195712 /nfs/dbraw/zinc/19/57/12/600195712.db2.gz ANKQSVPZOBKDSJ-ZYHUDNBSSA-N -1 0 364.420 -0.095 20 0 FBADRM CC(C)[C@H](OC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000736389927 600170165 /nfs/dbraw/zinc/17/01/65/600170165.db2.gz LLGMRQYQJDXANJ-BQVMBELUSA-N -1 0 361.416 -0.032 20 0 FBADRM CC(C)[C@H](OC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000736389928 600170185 /nfs/dbraw/zinc/17/01/85/600170185.db2.gz LLGMRQYQJDXANJ-DDIVZENXSA-N -1 0 361.416 -0.032 20 0 FBADRM CC(C)[C@H](OC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000736389929 600170301 /nfs/dbraw/zinc/17/03/01/600170301.db2.gz LLGMRQYQJDXANJ-OZWUEAAUSA-N -1 0 361.416 -0.032 20 0 FBADRM CC(C)[C@H](OC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000736389930 600170350 /nfs/dbraw/zinc/17/03/50/600170350.db2.gz LLGMRQYQJDXANJ-YYHMBLRTSA-N -1 0 361.416 -0.032 20 0 FBADRM CC(C)[C@H](O)CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000736389992 600751753 /nfs/dbraw/zinc/75/17/53/600751753.db2.gz MDFUAHXIFSUKOU-CYBMUJFWSA-N -1 0 365.386 -0.499 20 0 FBADRM CC(C)[C@@H](O)CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000736389993 600752110 /nfs/dbraw/zinc/75/21/10/600752110.db2.gz MDFUAHXIFSUKOU-ZDUSSCGKSA-N -1 0 365.386 -0.499 20 0 FBADRM CC(C)[C@@H](OC(=O)CN1CC(=O)NC1=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736390293 600367977 /nfs/dbraw/zinc/36/79/77/600367977.db2.gz MOEWSAAJEQPQJD-CYBMUJFWSA-N -1 0 369.374 -0.571 20 0 FBADRM CC(C)[C@H](OC(=O)CN1CC(=O)NC1=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736390294 600367938 /nfs/dbraw/zinc/36/79/38/600367938.db2.gz MOEWSAAJEQPQJD-ZDUSSCGKSA-N -1 0 369.374 -0.571 20 0 FBADRM CC(C)[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000736390409 600751817 /nfs/dbraw/zinc/75/18/17/600751817.db2.gz PLXKTZJNVVWRQQ-GFCCVEGCSA-N -1 0 351.359 -0.427 20 0 FBADRM CC(C)[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000736390411 600752092 /nfs/dbraw/zinc/75/20/92/600752092.db2.gz PLXKTZJNVVWRQQ-LBPRGKRZSA-N -1 0 351.359 -0.427 20 0 FBADRM CC(C)[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000736390575 600752100 /nfs/dbraw/zinc/75/21/00/600752100.db2.gz SPZWSPCOMPAIDE-CYBMUJFWSA-N -1 0 365.386 -0.037 20 0 FBADRM CC(C)[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000736390579 600752118 /nfs/dbraw/zinc/75/21/18/600752118.db2.gz SPZWSPCOMPAIDE-ZDUSSCGKSA-N -1 0 365.386 -0.037 20 0 FBADRM CC(C)[C@H](OC(=O)C1CC(=O)NC(=O)C1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736391477 599944953 /nfs/dbraw/zinc/94/49/53/599944953.db2.gz SJXRQXKQNVFYDG-AWEZNQCLSA-N -1 0 368.386 -0.070 20 0 FBADRM CC(C)[C@@H](OC(=O)C1CC(=O)NC(=O)C1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736391479 599945179 /nfs/dbraw/zinc/94/51/79/599945179.db2.gz SJXRQXKQNVFYDG-CQSZACIVSA-N -1 0 368.386 -0.070 20 0 FBADRM CC(C)[C@@H](OC(=O)CCNC(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000736391628 600199200 /nfs/dbraw/zinc/19/92/00/600199200.db2.gz UOYIWLQHPBFYOX-GXSJLCMTSA-N -1 0 350.393 -0.485 20 0 FBADRM CC(C)[C@H](OC(=O)CCNC(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000736391631 600199226 /nfs/dbraw/zinc/19/92/26/600199226.db2.gz UOYIWLQHPBFYOX-KOLCDFICSA-N -1 0 350.393 -0.485 20 0 FBADRM CC(C)[C@@H](OC(=O)CCNC(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000736391632 600199220 /nfs/dbraw/zinc/19/92/20/600199220.db2.gz UOYIWLQHPBFYOX-MWLCHTKSSA-N -1 0 350.393 -0.485 20 0 FBADRM CC(C)[C@H](OC(=O)CCNC(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000736391633 600199179 /nfs/dbraw/zinc/19/91/79/600199179.db2.gz UOYIWLQHPBFYOX-ONGXEEELSA-N -1 0 350.393 -0.485 20 0 FBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[nH]n1 ZINC000736409018 598331893 /nfs/dbraw/zinc/33/18/93/598331893.db2.gz BOUODTLUXGDQER-UHFFFAOYSA-N -1 0 366.403 -0.271 20 0 FBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736409663 598331697 /nfs/dbraw/zinc/33/16/97/598331697.db2.gz DHWYUAQIDQUPRN-UHFFFAOYSA-N -1 0 352.376 -0.412 20 0 FBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000736409806 598974269 /nfs/dbraw/zinc/97/42/69/598974269.db2.gz FDCQOZWXLGRDLW-UHFFFAOYSA-N -1 0 366.403 -0.104 20 0 FBADRM CC(C)C[C@H](NC(=O)CN1CCN(CC(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000736410497 599995485 /nfs/dbraw/zinc/99/54/85/599995485.db2.gz DIFBNNBIGCINJC-HNNXBMFYSA-N -1 0 368.478 -0.158 20 0 FBADRM CC(C)C[C@@H](NC(=O)CN1CCN(CC(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000736410499 599995352 /nfs/dbraw/zinc/99/53/52/599995352.db2.gz DIFBNNBIGCINJC-OAHLLOKOSA-N -1 0 368.478 -0.158 20 0 FBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736411462 598331769 /nfs/dbraw/zinc/33/17/69/598331769.db2.gz JTJPUORELNXIRY-UHFFFAOYSA-N -1 0 352.376 -0.412 20 0 FBADRM CC(C)C[C@H](NC(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000736411541 599990719 /nfs/dbraw/zinc/99/07/19/599990719.db2.gz HRQKUZLHAAUQAO-KBPBESRZSA-N -1 0 355.435 -0.075 20 0 FBADRM CC(C)C[C@@H](NC(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000736411543 599990781 /nfs/dbraw/zinc/99/07/81/599990781.db2.gz HRQKUZLHAAUQAO-KGLIPLIRSA-N -1 0 355.435 -0.075 20 0 FBADRM CC(C)C[C@H](NC(=O)CN1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000736411547 599990773 /nfs/dbraw/zinc/99/07/73/599990773.db2.gz HRQKUZLHAAUQAO-UONOGXRCSA-N -1 0 355.435 -0.075 20 0 FBADRM CC(C)C[C@@H](NC(=O)CN1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000736411549 599990744 /nfs/dbraw/zinc/99/07/44/599990744.db2.gz HRQKUZLHAAUQAO-ZIAGYGMSSA-N -1 0 355.435 -0.075 20 0 FBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736412474 598331510 /nfs/dbraw/zinc/33/15/10/598331510.db2.gz POSVWIOAEJRJQL-UHFFFAOYSA-N -1 0 366.403 -0.271 20 0 FBADRM CC(C)C[C@H](NC(=O)CN1CCN(CC(=O)NC2CC2)CC1)C(=O)[O-] ZINC000736412655 599995486 /nfs/dbraw/zinc/99/54/86/599995486.db2.gz OYBMKDKZOKOYCZ-AWEZNQCLSA-N -1 0 354.451 -0.502 20 0 FBADRM CC(C)C[C@@H](NC(=O)CN1CCN(CC(=O)NC2CC2)CC1)C(=O)[O-] ZINC000736412656 599995808 /nfs/dbraw/zinc/99/58/08/599995808.db2.gz OYBMKDKZOKOYCZ-CQSZACIVSA-N -1 0 354.451 -0.502 20 0 FBADRM CC(C)C[C@@H](NC(=O)COC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)[O-] ZINC000736413042 600579836 /nfs/dbraw/zinc/57/98/36/600579836.db2.gz BHAKEZXKKWLWER-SECBINFHSA-N -1 0 357.363 -0.525 20 0 FBADRM CC(C)C[C@H](NC(=O)COC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)[O-] ZINC000736413047 600579874 /nfs/dbraw/zinc/57/98/74/600579874.db2.gz BHAKEZXKKWLWER-VIFPVBQESA-N -1 0 357.363 -0.525 20 0 FBADRM CC(C)C[C@H](NC(=O)CN1CCN(CC(=O)NC(C)C)CC1)C(=O)[O-] ZINC000736413373 599993386 /nfs/dbraw/zinc/99/33/86/599993386.db2.gz SRTSBWOWKQWCNF-AWEZNQCLSA-N -1 0 356.467 -0.256 20 0 FBADRM CC(C)C[C@@H](NC(=O)CN1CCN(CC(=O)NC(C)C)CC1)C(=O)[O-] ZINC000736413375 599993191 /nfs/dbraw/zinc/99/31/91/599993191.db2.gz SRTSBWOWKQWCNF-CQSZACIVSA-N -1 0 356.467 -0.256 20 0 FBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736413567 598331566 /nfs/dbraw/zinc/33/15/66/598331566.db2.gz SFDCMKPQZZMHMD-UHFFFAOYSA-N -1 0 366.403 -0.271 20 0 FBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000736420239 602699030 /nfs/dbraw/zinc/69/90/30/602699030.db2.gz HWTPEIRDKRJMCP-GHMZBOCLSA-N -1 0 363.436 -0.570 20 0 FBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000736420240 605696796 /nfs/dbraw/zinc/69/67/96/605696796.db2.gz HWTPEIRDKRJMCP-MNOVXSKESA-N -1 0 363.436 -0.570 20 0 FBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000736420241 605696593 /nfs/dbraw/zinc/69/65/93/605696593.db2.gz HWTPEIRDKRJMCP-QWRGUYRKSA-N -1 0 363.436 -0.570 20 0 FBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000736420242 602699076 /nfs/dbraw/zinc/69/90/76/602699076.db2.gz HWTPEIRDKRJMCP-WDEREUQCSA-N -1 0 363.436 -0.570 20 0 FBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000736421411 603225824 /nfs/dbraw/zinc/22/58/24/603225824.db2.gz MLLXVRRZWFLPIM-KBPBESRZSA-N -1 0 370.450 -0.282 20 0 FBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000736421414 603225993 /nfs/dbraw/zinc/22/59/93/603225993.db2.gz MLLXVRRZWFLPIM-KGLIPLIRSA-N -1 0 370.450 -0.282 20 0 FBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000736421417 603226119 /nfs/dbraw/zinc/22/61/19/603226119.db2.gz MLLXVRRZWFLPIM-UONOGXRCSA-N -1 0 370.450 -0.282 20 0 FBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000736421420 603225763 /nfs/dbraw/zinc/22/57/63/603225763.db2.gz MLLXVRRZWFLPIM-ZIAGYGMSSA-N -1 0 370.450 -0.282 20 0 FBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000736421452 603023317 /nfs/dbraw/zinc/02/33/17/603023317.db2.gz MRQSYCBGXGWNGD-GHMZBOCLSA-N -1 0 350.441 -0.300 20 0 FBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000736421455 605635907 /nfs/dbraw/zinc/63/59/07/605635907.db2.gz MRQSYCBGXGWNGD-MNOVXSKESA-N -1 0 350.441 -0.300 20 0 FBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000736421758 605635729 /nfs/dbraw/zinc/63/57/29/605635729.db2.gz MRQSYCBGXGWNGD-QWRGUYRKSA-N -1 0 350.441 -0.300 20 0 FBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000736421759 603023605 /nfs/dbraw/zinc/02/36/05/603023605.db2.gz MRQSYCBGXGWNGD-WDEREUQCSA-N -1 0 350.441 -0.300 20 0 FBADRM CC(C)CN1C[C@@H](C(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1=O ZINC000736432125 600262392 /nfs/dbraw/zinc/26/23/92/600262392.db2.gz CKXOQPNGAOTRFS-AWEZNQCLSA-N -1 0 355.435 -0.264 20 0 FBADRM CC(C)CN1C[C@H](C(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1=O ZINC000736432126 600262527 /nfs/dbraw/zinc/26/25/27/600262527.db2.gz CKXOQPNGAOTRFS-CQSZACIVSA-N -1 0 355.435 -0.264 20 0 FBADRM CC(C)CN(CCC(=O)[O-])C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000736432496 660390650 /nfs/dbraw/zinc/39/06/50/660390650.db2.gz GRVSSKKZBLSAOJ-UHFFFAOYSA-N -1 0 374.419 -0.649 20 0 FBADRM CC(C)CN(C(=O)COC(=O)[C@@H]1C[C@@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000736437064 600173080 /nfs/dbraw/zinc/17/30/80/600173080.db2.gz GFEJDPLFXNYGPJ-GRYCIOLGSA-N -1 0 361.416 -0.078 20 0 FBADRM CC(C)CN(C(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000736437065 600173115 /nfs/dbraw/zinc/17/31/15/600173115.db2.gz GFEJDPLFXNYGPJ-IJLUTSLNSA-N -1 0 361.416 -0.078 20 0 FBADRM CC(C)CN(C(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000736437066 600173090 /nfs/dbraw/zinc/17/30/90/600173090.db2.gz GFEJDPLFXNYGPJ-QJPTWQEYSA-N -1 0 361.416 -0.078 20 0 FBADRM CC(C)CN(C(=O)COC(=O)[C@@H]1C[C@@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000736437067 600173038 /nfs/dbraw/zinc/17/30/38/600173038.db2.gz GFEJDPLFXNYGPJ-SDDRHHMPSA-N -1 0 361.416 -0.078 20 0 FBADRM CC(C)CN(C(=O)CN1CCO[C@@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000736437531 599978225 /nfs/dbraw/zinc/97/82/25/599978225.db2.gz KOUAFBDVDWHIFX-CHWSQXEVSA-N -1 0 362.448 -0.557 20 0 FBADRM CC(C)CN(C(=O)CN1CCO[C@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000736437532 599978178 /nfs/dbraw/zinc/97/81/78/599978178.db2.gz KOUAFBDVDWHIFX-OLZOCXBDSA-N -1 0 362.448 -0.557 20 0 FBADRM CC(C)CN(C(=O)CN1CCO[C@@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000736437533 599978308 /nfs/dbraw/zinc/97/83/08/599978308.db2.gz KOUAFBDVDWHIFX-QWHCGFSZSA-N -1 0 362.448 -0.557 20 0 FBADRM CC(C)CN(C(=O)CN1CCO[C@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000736437534 599978397 /nfs/dbraw/zinc/97/83/97/599978397.db2.gz KOUAFBDVDWHIFX-STQMWFEESA-N -1 0 362.448 -0.557 20 0 FBADRM CC(C)CN(C(=O)COC(=O)CCNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000736438640 600200796 /nfs/dbraw/zinc/20/07/96/600200796.db2.gz WDHLEYMIRQYEEU-LLVKDONJSA-N -1 0 364.420 -0.141 20 0 FBADRM CC(C)CN(C(=O)COC(=O)CCNC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000736438641 600200644 /nfs/dbraw/zinc/20/06/44/600200644.db2.gz WDHLEYMIRQYEEU-NSHDSACASA-N -1 0 364.420 -0.141 20 0 FBADRM CC(C)CN(C(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000736438832 600230926 /nfs/dbraw/zinc/23/09/26/600230926.db2.gz ZGNPREDDBMYAOD-UPJWGTAASA-N -1 0 362.448 -0.822 20 0 FBADRM CC(C)CN(C(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000736438833 600230903 /nfs/dbraw/zinc/23/09/03/600230903.db2.gz ZGNPREDDBMYAOD-XQQFMLRXSA-N -1 0 362.448 -0.822 20 0 FBADRM CC(C)CNC(=O)NC(=O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000736440605 600032174 /nfs/dbraw/zinc/03/21/74/600032174.db2.gz QSVHHZCOEMNADB-UHFFFAOYSA-N -1 0 350.335 -0.841 20 0 FBADRM CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])C1 ZINC000736443555 600785501 /nfs/dbraw/zinc/78/55/01/600785501.db2.gz SDHGUTAVMOGIJN-CHWSQXEVSA-N -1 0 368.434 -0.134 20 0 FBADRM CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])C1 ZINC000736443556 600785506 /nfs/dbraw/zinc/78/55/06/600785506.db2.gz SDHGUTAVMOGIJN-OLZOCXBDSA-N -1 0 368.434 -0.134 20 0 FBADRM CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])C1 ZINC000736443557 600785526 /nfs/dbraw/zinc/78/55/26/600785526.db2.gz SDHGUTAVMOGIJN-QWHCGFSZSA-N -1 0 368.434 -0.134 20 0 FBADRM CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])C1 ZINC000736443558 600785330 /nfs/dbraw/zinc/78/53/30/600785330.db2.gz SDHGUTAVMOGIJN-STQMWFEESA-N -1 0 368.434 -0.134 20 0 FBADRM CC(C)CS(=O)(=O)CC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000736449400 600265428 /nfs/dbraw/zinc/26/54/28/600265428.db2.gz MFTWJEFGIXFHOX-UHFFFAOYSA-N -1 0 350.437 -0.697 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN(C)C[C@H](C)C(=O)[O-])c(=O)n(C)c1=O ZINC000736453441 600507243 /nfs/dbraw/zinc/50/72/43/600507243.db2.gz DSZIUSSBFDZVTI-JTQLQIEISA-N -1 0 354.407 -0.380 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN(C)C[C@@H](C)C(=O)[O-])c(=O)n(C)c1=O ZINC000736453443 600506895 /nfs/dbraw/zinc/50/68/95/600506895.db2.gz DSZIUSSBFDZVTI-SNVBAGLBSA-N -1 0 354.407 -0.380 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)COC(=O)[C@H]2C[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000736455006 599703146 /nfs/dbraw/zinc/70/31/46/599703146.db2.gz JWNFHZSRAWCUID-BDAKNGLRSA-N -1 0 367.358 -0.768 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)COC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000736455007 599703228 /nfs/dbraw/zinc/70/32/28/599703228.db2.gz JWNFHZSRAWCUID-DTWKUNHWSA-N -1 0 367.358 -0.768 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)COC(=O)[C@H]2C[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000736455008 599703136 /nfs/dbraw/zinc/70/31/36/599703136.db2.gz JWNFHZSRAWCUID-IUCAKERBSA-N -1 0 367.358 -0.768 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)COC(=O)[C@@H]2C[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000736455009 599703242 /nfs/dbraw/zinc/70/32/42/599703242.db2.gz JWNFHZSRAWCUID-RKDXNWHRSA-N -1 0 367.358 -0.768 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CCO[C@H](C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000736455126 599971677 /nfs/dbraw/zinc/97/16/77/599971677.db2.gz MSSUSBHRVCJXSG-JTQLQIEISA-N -1 0 354.363 -0.845 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CCO[C@@H](C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000736455131 599971734 /nfs/dbraw/zinc/97/17/34/599971734.db2.gz MSSUSBHRVCJXSG-SNVBAGLBSA-N -1 0 354.363 -0.845 20 0 FBADRM CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000736455561 599967941 /nfs/dbraw/zinc/96/79/41/599967941.db2.gz UUNUXSUOAHGOHX-AWEZNQCLSA-N -1 0 355.435 -0.123 20 0 FBADRM CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000736455563 599968328 /nfs/dbraw/zinc/96/83/28/599968328.db2.gz UUNUXSUOAHGOHX-CQSZACIVSA-N -1 0 355.435 -0.123 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)COC(=O)CCNC(=O)[O-])c(=O)n(C)c1=O ZINC000736456361 600200705 /nfs/dbraw/zinc/20/07/05/600200705.db2.gz VBWJIRPJUDZOTC-UHFFFAOYSA-N -1 0 370.362 -0.831 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CCC[C@@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000736456625 600100527 /nfs/dbraw/zinc/10/05/27/600100527.db2.gz ZXRWZNLULGOIAZ-LLVKDONJSA-N -1 0 366.418 -0.236 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CCC[C@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000736456626 601031598 /nfs/dbraw/zinc/03/15/98/601031598.db2.gz ZXRWZNLULGOIAZ-NSHDSACASA-N -1 0 366.418 -0.236 20 0 FBADRM CC(C)N(CCC(=O)[O-])C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000736460923 600558103 /nfs/dbraw/zinc/55/81/03/600558103.db2.gz BRRQRCJHOSFMQW-UHFFFAOYSA-N -1 0 365.390 -0.465 20 0 FBADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000736462766 660390873 /nfs/dbraw/zinc/39/08/73/660390873.db2.gz CCZFICACLWQJOF-NEPJUHHUSA-N -1 0 360.432 -0.266 20 0 FBADRM CC(C)N(CCC(=O)[O-])C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000736462770 660390957 /nfs/dbraw/zinc/39/09/57/660390957.db2.gz CCZFICACLWQJOF-NWDGAFQWSA-N -1 0 360.432 -0.266 20 0 FBADRM CC(C)N(CCC(=O)[O-])C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000736462775 660390898 /nfs/dbraw/zinc/39/08/98/660390898.db2.gz CCZFICACLWQJOF-RYUDHWBXSA-N -1 0 360.432 -0.266 20 0 FBADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000736462778 660390848 /nfs/dbraw/zinc/39/08/48/660390848.db2.gz CCZFICACLWQJOF-VXGBXAGGSA-N -1 0 360.432 -0.266 20 0 FBADRM CC(C)N(CCC(=O)[O-])C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000736462928 660390839 /nfs/dbraw/zinc/39/08/39/660390839.db2.gz HMMJAEKQWSHFLN-AWEZNQCLSA-N -1 0 355.435 -0.121 20 0 FBADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000736462929 660390925 /nfs/dbraw/zinc/39/09/25/660390925.db2.gz HMMJAEKQWSHFLN-CQSZACIVSA-N -1 0 355.435 -0.121 20 0 FBADRM CC(C)N(CCC(=O)[O-])C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000736463754 600560965 /nfs/dbraw/zinc/56/09/65/600560965.db2.gz XQXHCKHFJUFGLP-LLVKDONJSA-N -1 0 373.431 -0.136 20 0 FBADRM CC(C)N(CCC(=O)[O-])C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000736463756 600560921 /nfs/dbraw/zinc/56/09/21/600560921.db2.gz XQXHCKHFJUFGLP-NSHDSACASA-N -1 0 373.431 -0.136 20 0 FBADRM CC(C)N(CCC(=O)[O-])C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000736464548 660390928 /nfs/dbraw/zinc/39/09/28/660390928.db2.gz CQYPPVYJHZYUAT-UHFFFAOYSA-N -1 0 350.375 -0.099 20 0 FBADRM CC(C)N(CCC(=O)[O-])C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000736464629 600561862 /nfs/dbraw/zinc/56/18/62/600561862.db2.gz PUGYAZCMEOIFBO-UHFFFAOYSA-N -1 0 351.363 -0.855 20 0 FBADRM CC(C)N(CCC(=O)[O-])C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000736464811 600669923 /nfs/dbraw/zinc/66/99/23/600669923.db2.gz VFLPJKSEHIGQIA-UHFFFAOYSA-N -1 0 360.392 -0.896 20 0 FBADRM CC(C)N(CCC(=O)[O-])C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000736464858 600560821 /nfs/dbraw/zinc/56/08/21/600560821.db2.gz ZTCVZYVTPNCVAP-UHFFFAOYSA-N -1 0 351.363 -0.855 20 0 FBADRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000736465710 600669379 /nfs/dbraw/zinc/66/93/79/600669379.db2.gz LYCOPDNXJFLFIL-UHFFFAOYSA-N -1 0 361.376 -0.632 20 0 FBADRM CC(C)N(CCCNC(=O)CN(C)C(C)(C)C(=O)[O-])S(C)(=O)=O ZINC000736468816 600308609 /nfs/dbraw/zinc/30/86/09/600308609.db2.gz YAKRIVYVPHZGKM-UHFFFAOYSA-N -1 0 351.469 -0.042 20 0 FBADRM CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000736477006 603304552 /nfs/dbraw/zinc/30/45/52/603304552.db2.gz BRYOIKRJLKBQCO-CYBMUJFWSA-N -1 0 355.439 -0.019 20 0 FBADRM CC(C)NC(=O)CN1CCN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000736477009 603304224 /nfs/dbraw/zinc/30/42/24/603304224.db2.gz BRYOIKRJLKBQCO-ZDUSSCGKSA-N -1 0 355.439 -0.019 20 0 FBADRM CC(C)NC(=O)CN1C(C(=O)[O-])=NC2=NS(=O)(=O)c3ccccc3N21 ZINC000736477252 600116315 /nfs/dbraw/zinc/11/63/15/600116315.db2.gz GZGBFZHJYVOWTK-UHFFFAOYSA-N -1 0 365.371 -0.210 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000736477301 599768933 /nfs/dbraw/zinc/76/89/33/599768933.db2.gz IDGXCFWKUGAOLU-UHFFFAOYSA-N -1 0 373.387 -0.665 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)NCCSCC(=O)[O-])CC1 ZINC000736477350 599898009 /nfs/dbraw/zinc/89/80/09/599898009.db2.gz IZCSUXRBOTXMQM-UHFFFAOYSA-N -1 0 360.436 -0.817 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(Cc2noc(CCCC(=O)[O-])n2)CC1 ZINC000736477395 600286245 /nfs/dbraw/zinc/28/62/45/600286245.db2.gz JRXRMTKNILTDCA-UHFFFAOYSA-N -1 0 367.406 -0.354 20 0 FBADRM CC(C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000736477406 599766475 /nfs/dbraw/zinc/76/64/75/599766475.db2.gz JZXYYBNQZMWWGI-UHFFFAOYSA-N -1 0 359.404 -0.191 20 0 FBADRM CC(C)NS(=O)(=O)CCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000736477785 600650121 /nfs/dbraw/zinc/65/01/21/600650121.db2.gz MDYJEMLQRZZUTO-UHFFFAOYSA-N -1 0 364.445 -0.080 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000736477854 603264310 /nfs/dbraw/zinc/26/43/10/603264310.db2.gz SQVAUXQDHJSNTB-GFCCVEGCSA-N -1 0 369.422 -0.493 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000736477857 603264398 /nfs/dbraw/zinc/26/43/98/603264398.db2.gz SQVAUXQDHJSNTB-LBPRGKRZSA-N -1 0 369.422 -0.493 20 0 FBADRM CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000736483652 600333646 /nfs/dbraw/zinc/33/36/46/600333646.db2.gz LBRDNFFBNQLXRW-UHFFFAOYSA-N -1 0 357.388 -0.097 20 0 FBADRM C[C@H](CC(=O)[O-])S(=O)(=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000736548947 600193818 /nfs/dbraw/zinc/19/38/18/600193818.db2.gz GIYOTJANMJCCBH-LLVKDONJSA-N -1 0 372.399 -0.158 20 0 FBADRM C[C@@H](CC(=O)[O-])S(=O)(=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000736548948 600193808 /nfs/dbraw/zinc/19/38/08/600193808.db2.gz GIYOTJANMJCCBH-NSHDSACASA-N -1 0 372.399 -0.158 20 0 FBADRM C[C@H](CC(=O)[O-])S(=O)(=O)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000736550355 600193868 /nfs/dbraw/zinc/19/38/68/600193868.db2.gz OOLMQUPENQHCJF-SECBINFHSA-N -1 0 372.403 -0.898 20 0 FBADRM C[C@@H](CC(=O)[O-])S(=O)(=O)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000736550358 600193962 /nfs/dbraw/zinc/19/39/62/600193962.db2.gz OOLMQUPENQHCJF-VIFPVBQESA-N -1 0 372.403 -0.898 20 0 FBADRM C[C@H](CC(=O)[O-])SCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000736550624 600581203 /nfs/dbraw/zinc/58/12/03/600581203.db2.gz GQDQMIXFBJCVRQ-NEPJUHHUSA-N -1 0 364.489 -0.086 20 0 FBADRM C[C@@H](CC(=O)[O-])SCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000736550625 600580945 /nfs/dbraw/zinc/58/09/45/600580945.db2.gz GQDQMIXFBJCVRQ-NWDGAFQWSA-N -1 0 364.489 -0.086 20 0 FBADRM C[C@@H](CC(=O)[O-])SCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000736550626 600581184 /nfs/dbraw/zinc/58/11/84/600581184.db2.gz GQDQMIXFBJCVRQ-RYUDHWBXSA-N -1 0 364.489 -0.086 20 0 FBADRM C[C@H](CC(=O)[O-])SCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000736550627 600581197 /nfs/dbraw/zinc/58/11/97/600581197.db2.gz GQDQMIXFBJCVRQ-VXGBXAGGSA-N -1 0 364.489 -0.086 20 0 FBADRM C[C@H](CN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C1CC1)C(=O)[O-] ZINC000736561334 599922874 /nfs/dbraw/zinc/92/28/74/599922874.db2.gz BPCRPWPTJUSSJF-SECBINFHSA-N -1 0 363.374 -0.855 20 0 FBADRM C[C@@H](CN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C1CC1)C(=O)[O-] ZINC000736561337 599923030 /nfs/dbraw/zinc/92/30/30/599923030.db2.gz BPCRPWPTJUSSJF-VIFPVBQESA-N -1 0 363.374 -0.855 20 0 FBADRM C[C@H](CN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC1)C(=O)[O-] ZINC000736562501 599924183 /nfs/dbraw/zinc/92/41/83/599924183.db2.gz OEBJCDGSUUULHH-SECBINFHSA-N -1 0 363.374 -0.855 20 0 FBADRM C[C@@H](CN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC1)C(=O)[O-] ZINC000736562503 599924084 /nfs/dbraw/zinc/92/40/84/599924084.db2.gz OEBJCDGSUUULHH-VIFPVBQESA-N -1 0 363.374 -0.855 20 0 FBADRM C[C@H](CN(C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CC1)C(=O)[O-] ZINC000736562684 599930487 /nfs/dbraw/zinc/93/04/87/599930487.db2.gz JIRWDWXZXHDBCD-MDZLAQPJSA-N -1 0 372.443 -0.266 20 0 FBADRM C[C@H](CN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CC1)C(=O)[O-] ZINC000736562687 599930531 /nfs/dbraw/zinc/93/05/31/599930531.db2.gz JIRWDWXZXHDBCD-NQBHXWOUSA-N -1 0 372.443 -0.266 20 0 FBADRM C[C@H](CN(C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CC1)C(=O)[O-] ZINC000736562691 599930399 /nfs/dbraw/zinc/93/03/99/599930399.db2.gz JIRWDWXZXHDBCD-NTZNESFSSA-N -1 0 372.443 -0.266 20 0 FBADRM C[C@H](CN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CC1)C(=O)[O-] ZINC000736562694 599930443 /nfs/dbraw/zinc/93/04/43/599930443.db2.gz JIRWDWXZXHDBCD-WZRBSPASSA-N -1 0 372.443 -0.266 20 0 FBADRM C[C@@H](CN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1)C(=O)[O-] ZINC000736563830 599750339 /nfs/dbraw/zinc/75/03/39/599750339.db2.gz ULWKIKTXDRBZDV-KBPBESRZSA-N -1 0 367.446 -0.121 20 0 FBADRM C[C@H](CN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1)C(=O)[O-] ZINC000736563832 599750523 /nfs/dbraw/zinc/75/05/23/599750523.db2.gz ULWKIKTXDRBZDV-KGLIPLIRSA-N -1 0 367.446 -0.121 20 0 FBADRM C[C@@H](CN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1)C(=O)[O-] ZINC000736563833 599750422 /nfs/dbraw/zinc/75/04/22/599750422.db2.gz ULWKIKTXDRBZDV-UONOGXRCSA-N -1 0 367.446 -0.121 20 0 FBADRM C[C@H](CN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1)C(=O)[O-] ZINC000736563834 599750541 /nfs/dbraw/zinc/75/05/41/599750541.db2.gz ULWKIKTXDRBZDV-ZIAGYGMSSA-N -1 0 367.446 -0.121 20 0 FBADRM C[C@H](CN(C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C1CC1)C(=O)[O-] ZINC000736566432 599929289 /nfs/dbraw/zinc/92/92/89/599929289.db2.gz QRZSXFYLWXCXJX-SECBINFHSA-N -1 0 362.386 -0.099 20 0 FBADRM C[C@@H](CN(C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C1CC1)C(=O)[O-] ZINC000736566434 599929174 /nfs/dbraw/zinc/92/91/74/599929174.db2.gz QRZSXFYLWXCXJX-VIFPVBQESA-N -1 0 362.386 -0.099 20 0 FBADRM C[C@H](CN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C1CC1)C(=O)[O-] ZINC000736566734 599919537 /nfs/dbraw/zinc/91/95/37/599919537.db2.gz YAKXXKMTJUZMFC-SECBINFHSA-N -1 0 360.370 -0.043 20 0 FBADRM C[C@@H](CN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C1CC1)C(=O)[O-] ZINC000736566736 599919455 /nfs/dbraw/zinc/91/94/55/599919455.db2.gz YAKXXKMTJUZMFC-VIFPVBQESA-N -1 0 360.370 -0.043 20 0 FBADRM C[C@@H](CN(C)C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000736568477 600593498 /nfs/dbraw/zinc/59/34/98/600593498.db2.gz AAOSZAMKCWFIQI-KBPBESRZSA-N -1 0 355.435 -0.121 20 0 FBADRM C[C@H](CN(C)C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000736568478 600593458 /nfs/dbraw/zinc/59/34/58/600593458.db2.gz AAOSZAMKCWFIQI-KGLIPLIRSA-N -1 0 355.435 -0.121 20 0 FBADRM C[C@@H](CN(C)C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000736568479 600593463 /nfs/dbraw/zinc/59/34/63/600593463.db2.gz AAOSZAMKCWFIQI-UONOGXRCSA-N -1 0 355.435 -0.121 20 0 FBADRM C[C@H](CN(C)C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000736568480 600593430 /nfs/dbraw/zinc/59/34/30/600593430.db2.gz AAOSZAMKCWFIQI-ZIAGYGMSSA-N -1 0 355.435 -0.121 20 0 FBADRM C[C@H](CN(C)C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)C(=O)[O-] ZINC000736569562 600595372 /nfs/dbraw/zinc/59/53/72/600595372.db2.gz WNUFJRONWHFRMN-MRVPVSSYSA-N -1 0 371.371 -0.579 20 0 FBADRM C[C@@H](CN(C)C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)C(=O)[O-] ZINC000736569564 600595220 /nfs/dbraw/zinc/59/52/20/600595220.db2.gz WNUFJRONWHFRMN-QMMMGPOBSA-N -1 0 371.371 -0.579 20 0 FBADRM C[C@H](CN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C1CC1)C(=O)[O-] ZINC000736571373 599920416 /nfs/dbraw/zinc/92/04/16/599920416.db2.gz NMCPHCZZFYAOAZ-SECBINFHSA-N -1 0 360.370 -0.043 20 0 FBADRM C[C@@H](CN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C1CC1)C(=O)[O-] ZINC000736571374 599920621 /nfs/dbraw/zinc/92/06/21/599920621.db2.gz NMCPHCZZFYAOAZ-VIFPVBQESA-N -1 0 360.370 -0.043 20 0 FBADRM CCNS(=O)(=O)N1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000736577443 599447627 /nfs/dbraw/zinc/44/76/27/599447627.db2.gz IEMIXBAKUDHBEB-UHFFFAOYSA-N -1 0 368.423 -0.292 20 0 FBADRM C[C@H](CN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1)C(=O)[O-] ZINC000736578524 599950894 /nfs/dbraw/zinc/95/08/94/599950894.db2.gz LTHLBXHNASZRDQ-NXEZZACHSA-N -1 0 361.420 -0.816 20 0 FBADRM C[C@@H](CN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1)C(=O)[O-] ZINC000736578525 599951034 /nfs/dbraw/zinc/95/10/34/599951034.db2.gz LTHLBXHNASZRDQ-UWVGGRQHSA-N -1 0 361.420 -0.816 20 0 FBADRM C[C@@H](CN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1)C(=O)[O-] ZINC000736578526 599951212 /nfs/dbraw/zinc/95/12/12/599951212.db2.gz LTHLBXHNASZRDQ-VHSXEESVSA-N -1 0 361.420 -0.816 20 0 FBADRM C[C@H](CN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1)C(=O)[O-] ZINC000736578527 599951088 /nfs/dbraw/zinc/95/10/88/599951088.db2.gz LTHLBXHNASZRDQ-ZJUUUORDSA-N -1 0 361.420 -0.816 20 0 FBADRM C[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000736585529 600344721 /nfs/dbraw/zinc/34/47/21/600344721.db2.gz KMXVFVDDAOZNRZ-LLVKDONJSA-N -1 0 363.370 -0.066 20 0 FBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000736585530 600344938 /nfs/dbraw/zinc/34/49/38/600344938.db2.gz KMXVFVDDAOZNRZ-NSHDSACASA-N -1 0 363.370 -0.066 20 0 FBADRM C[C@@H](CNC(=O)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1)C(=O)[O-] ZINC000736587529 600345278 /nfs/dbraw/zinc/34/52/78/600345278.db2.gz CQDKYHPZWXXCED-JTQLQIEISA-N -1 0 372.399 -0.115 20 0 FBADRM C[C@H](CNC(=O)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1)C(=O)[O-] ZINC000736587532 600345161 /nfs/dbraw/zinc/34/51/61/600345161.db2.gz CQDKYHPZWXXCED-SNVBAGLBSA-N -1 0 372.399 -0.115 20 0 FBADRM C[C@H](CNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1)C(=O)[O-] ZINC000736587639 600347030 /nfs/dbraw/zinc/34/70/30/600347030.db2.gz DRMVLNCWDLMCSK-LLVKDONJSA-N -1 0 363.370 -0.066 20 0 FBADRM C[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1)C(=O)[O-] ZINC000736587644 600346931 /nfs/dbraw/zinc/34/69/31/600346931.db2.gz DRMVLNCWDLMCSK-NSHDSACASA-N -1 0 363.370 -0.066 20 0 FBADRM C[C@H](CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)C(=O)[O-] ZINC000736589337 600345118 /nfs/dbraw/zinc/34/51/18/600345118.db2.gz ZCJZBHHYXANFBG-SECBINFHSA-N -1 0 357.388 -0.489 20 0 FBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)C(=O)[O-] ZINC000736589339 600345213 /nfs/dbraw/zinc/34/52/13/600345213.db2.gz ZCJZBHHYXANFBG-VIFPVBQESA-N -1 0 357.388 -0.489 20 0 FBADRM CCOC(=O)C1(CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CCC1 ZINC000736592140 598974021 /nfs/dbraw/zinc/97/40/21/598974021.db2.gz ZQHDCKCFUIOTHD-UHFFFAOYSA-N -1 0 363.378 -0.591 20 0 FBADRM CCOC(=O)C[C@@H](C)Sc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736593380 599062974 /nfs/dbraw/zinc/06/29/74/599062974.db2.gz HHEWRIWDPYDXNU-SSDOTTSWSA-N -1 0 354.392 -0.302 20 0 FBADRM CCOC(=O)C[C@H](C)Sc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736593384 599063343 /nfs/dbraw/zinc/06/33/43/599063343.db2.gz HHEWRIWDPYDXNU-ZETCQYMHSA-N -1 0 354.392 -0.302 20 0 FBADRM C[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1)C(=O)[O-] ZINC000736593944 600345212 /nfs/dbraw/zinc/34/52/12/600345212.db2.gz XVGQKDHNXXZUSD-LLVKDONJSA-N -1 0 363.370 -0.066 20 0 FBADRM C[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1)C(=O)[O-] ZINC000736593945 600345093 /nfs/dbraw/zinc/34/50/93/600345093.db2.gz XVGQKDHNXXZUSD-NSHDSACASA-N -1 0 363.370 -0.066 20 0 FBADRM C[C@H](CNC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)C(=O)[O-] ZINC000736594764 599779985 /nfs/dbraw/zinc/77/99/85/599779985.db2.gz FJLCZRXBPRUQCC-SSDOTTSWSA-N -1 0 357.344 -0.921 20 0 FBADRM C[C@@H](CNC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)C(=O)[O-] ZINC000736594765 599780004 /nfs/dbraw/zinc/78/00/04/599780004.db2.gz FJLCZRXBPRUQCC-ZETCQYMHSA-N -1 0 357.344 -0.921 20 0 FBADRM C[C@@H](CNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)[O-] ZINC000736595207 600011235 /nfs/dbraw/zinc/01/12/35/600011235.db2.gz JJAQAGJRUGLTAA-LURJTMIESA-N -1 0 372.179 -0.271 20 0 FBADRM C[C@H](CNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)[O-] ZINC000736595211 600011309 /nfs/dbraw/zinc/01/13/09/600011309.db2.gz JJAQAGJRUGLTAA-ZCFIWIBFSA-N -1 0 372.179 -0.271 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cn1 ZINC000736603528 598637156 /nfs/dbraw/zinc/63/71/56/598637156.db2.gz YPKCWZIBJKEXBF-UHFFFAOYSA-N -1 0 364.347 -0.038 20 0 FBADRM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736606411 600240474 /nfs/dbraw/zinc/24/04/74/600240474.db2.gz CEBBRVAQKLHJFD-SECBINFHSA-N -1 0 358.372 -0.362 20 0 FBADRM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736606412 600240666 /nfs/dbraw/zinc/24/06/66/600240666.db2.gz CEBBRVAQKLHJFD-VIFPVBQESA-N -1 0 358.372 -0.362 20 0 FBADRM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000736606561 600240568 /nfs/dbraw/zinc/24/05/68/600240568.db2.gz DNUAJFDZVHZTAH-BXKDBHETSA-N -1 0 370.383 -0.586 20 0 FBADRM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000736606562 600240642 /nfs/dbraw/zinc/24/06/42/600240642.db2.gz DNUAJFDZVHZTAH-CABZTGNLSA-N -1 0 370.383 -0.586 20 0 FBADRM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000736606563 600240536 /nfs/dbraw/zinc/24/05/36/600240536.db2.gz DNUAJFDZVHZTAH-JOYOIKCWSA-N -1 0 370.383 -0.586 20 0 FBADRM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000736606564 600240584 /nfs/dbraw/zinc/24/05/84/600240584.db2.gz DNUAJFDZVHZTAH-SKDRFNHKSA-N -1 0 370.383 -0.586 20 0 FBADRM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736606591 600240574 /nfs/dbraw/zinc/24/05/74/600240574.db2.gz FHOLZTTZVITMCY-SECBINFHSA-N -1 0 358.372 -0.362 20 0 FBADRM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736606592 600240654 /nfs/dbraw/zinc/24/06/54/600240654.db2.gz FHOLZTTZVITMCY-VIFPVBQESA-N -1 0 358.372 -0.362 20 0 FBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736606958 600471361 /nfs/dbraw/zinc/47/13/61/600471361.db2.gz JVTDZNNIUIIXNQ-JTQLQIEISA-N -1 0 372.399 -0.020 20 0 FBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736606959 600471452 /nfs/dbraw/zinc/47/14/52/600471452.db2.gz JVTDZNNIUIIXNQ-SNVBAGLBSA-N -1 0 372.399 -0.020 20 0 FBADRM C[C@@H](CS(C)(=O)=O)NC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000736607323 600228667 /nfs/dbraw/zinc/22/86/67/600228667.db2.gz PMHUWNJCEKKGSI-JTQLQIEISA-N -1 0 371.415 -0.016 20 0 FBADRM C[C@H](CS(C)(=O)=O)NC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000736607325 600228594 /nfs/dbraw/zinc/22/85/94/600228594.db2.gz PMHUWNJCEKKGSI-SNVBAGLBSA-N -1 0 371.415 -0.016 20 0 FBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736607419 600471808 /nfs/dbraw/zinc/47/18/08/600471808.db2.gz RBMOSWLPLDKLJB-JTQLQIEISA-N -1 0 372.399 -0.020 20 0 FBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736607420 600471845 /nfs/dbraw/zinc/47/18/45/600471845.db2.gz RBMOSWLPLDKLJB-SNVBAGLBSA-N -1 0 372.399 -0.020 20 0 FBADRM CCO[C@H](C)c1noc(Cn2c(=O)c(-c3nnn[n-]3)cn(CC)c2=O)n1 ZINC000736615258 599463323 /nfs/dbraw/zinc/46/33/23/599463323.db2.gz KKULGYDKUKBTCT-MRVPVSSYSA-N -1 0 362.350 -0.261 20 0 FBADRM CCO[C@@H](C)c1noc(Cn2c(=O)c(-c3nnn[n-]3)cn(CC)c2=O)n1 ZINC000736615259 599462758 /nfs/dbraw/zinc/46/27/58/599462758.db2.gz KKULGYDKUKBTCT-QMMMGPOBSA-N -1 0 362.350 -0.261 20 0 FBADRM CCO[C@@H]1C[C@@H](N(C)c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1(C)C ZINC000736615949 598974186 /nfs/dbraw/zinc/97/41/86/598974186.db2.gz ZPOWDXCCPWAGPG-NXEZZACHSA-N -1 0 363.422 -0.096 20 0 FBADRM CCO[C@H]1C[C@H](N(C)c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1(C)C ZINC000736615950 598974317 /nfs/dbraw/zinc/97/43/17/598974317.db2.gz ZPOWDXCCPWAGPG-UWVGGRQHSA-N -1 0 363.422 -0.096 20 0 FBADRM CCO[C@@H]1C[C@H](N(C)c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1(C)C ZINC000736615951 598974009 /nfs/dbraw/zinc/97/40/09/598974009.db2.gz ZPOWDXCCPWAGPG-VHSXEESVSA-N -1 0 363.422 -0.096 20 0 FBADRM CCO[C@H]1C[C@@H](N(C)c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1(C)C ZINC000736615952 598973835 /nfs/dbraw/zinc/97/38/35/598973835.db2.gz ZPOWDXCCPWAGPG-ZJUUUORDSA-N -1 0 363.422 -0.096 20 0 FBADRM C[C@H](CS(=O)(=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1)C(=O)[O-] ZINC000736618092 600197600 /nfs/dbraw/zinc/19/76/00/600197600.db2.gz ZIDCTRNLZUEQLS-LLVKDONJSA-N -1 0 372.399 -0.301 20 0 FBADRM C[C@@H](CS(=O)(=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1)C(=O)[O-] ZINC000736618093 600197555 /nfs/dbraw/zinc/19/75/55/600197555.db2.gz ZIDCTRNLZUEQLS-NSHDSACASA-N -1 0 372.399 -0.301 20 0 FBADRM C[C@H](CSCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C(=O)[O-] ZINC000736621150 600595397 /nfs/dbraw/zinc/59/53/97/600595397.db2.gz ZBQVIKYCGFHYEN-NEPJUHHUSA-N -1 0 364.489 -0.228 20 0 FBADRM C[C@@H](CSCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C(=O)[O-] ZINC000736621151 600595402 /nfs/dbraw/zinc/59/54/02/600595402.db2.gz ZBQVIKYCGFHYEN-NWDGAFQWSA-N -1 0 364.489 -0.228 20 0 FBADRM C[C@@H](CSCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C(=O)[O-] ZINC000736621152 600595259 /nfs/dbraw/zinc/59/52/59/600595259.db2.gz ZBQVIKYCGFHYEN-RYUDHWBXSA-N -1 0 364.489 -0.228 20 0 FBADRM C[C@H](CSCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C(=O)[O-] ZINC000736621153 600595343 /nfs/dbraw/zinc/59/53/43/600595343.db2.gz ZBQVIKYCGFHYEN-VXGBXAGGSA-N -1 0 364.489 -0.228 20 0 FBADRM CCOCCOCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736623114 598331984 /nfs/dbraw/zinc/33/19/84/598331984.db2.gz AKLMLDNWTUGCOI-UHFFFAOYSA-N -1 0 369.403 -0.134 20 0 FBADRM CCOCCOCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736623384 598331660 /nfs/dbraw/zinc/33/16/60/598331660.db2.gz GCUNXKGQTIXCGS-UHFFFAOYSA-N -1 0 355.376 -0.275 20 0 FBADRM CCOCCOCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[nH]n1 ZINC000736624343 598331845 /nfs/dbraw/zinc/33/18/45/598331845.db2.gz VIPMHVFADAQIRF-UHFFFAOYSA-N -1 0 369.403 -0.134 20 0 FBADRM CCOCCOCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736624383 598331581 /nfs/dbraw/zinc/33/15/81/598331581.db2.gz WEJCKKXMHDURBS-UHFFFAOYSA-N -1 0 355.376 -0.275 20 0 FBADRM CCOCCOCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736624485 598331781 /nfs/dbraw/zinc/33/17/81/598331781.db2.gz ZOGLICWUJPBVCC-UHFFFAOYSA-N -1 0 369.403 -0.134 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC000736625733 598740152 /nfs/dbraw/zinc/74/01/52/598740152.db2.gz LJWXYQJXFRAQHA-UHFFFAOYSA-N -1 0 355.376 -0.272 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)COc1ccccc1-c1nn[nH]n1 ZINC000736626479 598739956 /nfs/dbraw/zinc/73/99/56/598739956.db2.gz PHYUFFBEWFQTHH-UHFFFAOYSA-N -1 0 355.376 -0.272 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736626496 598739970 /nfs/dbraw/zinc/73/99/70/598739970.db2.gz QCEWQYPGPUYWAH-UHFFFAOYSA-N -1 0 355.376 -0.272 20 0 FBADRM C[C@@H](NC(=O)C1CCCC1)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000736630725 600590358 /nfs/dbraw/zinc/59/03/58/600590358.db2.gz AOIZAJQNISICSE-CYBMUJFWSA-N -1 0 355.435 -0.073 20 0 FBADRM C[C@H](NC(=O)C1CCCC1)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000736630727 600590312 /nfs/dbraw/zinc/59/03/12/600590312.db2.gz AOIZAJQNISICSE-ZDUSSCGKSA-N -1 0 355.435 -0.073 20 0 FBADRM C[C@@](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)(C(=O)[O-])C1CC1 ZINC000736631583 600201449 /nfs/dbraw/zinc/20/14/49/600201449.db2.gz BZYXSYBINMQYBF-PXAZEXFGSA-N -1 0 353.419 -0.463 20 0 FBADRM C[C@@](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)(C(=O)[O-])C1CC1 ZINC000736631586 600201462 /nfs/dbraw/zinc/20/14/62/600201462.db2.gz BZYXSYBINMQYBF-SJCJKPOMSA-N -1 0 353.419 -0.463 20 0 FBADRM C[C@](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)(C(=O)[O-])C1CC1 ZINC000736632125 600201472 /nfs/dbraw/zinc/20/14/72/600201472.db2.gz BZYXSYBINMQYBF-SJKOYZFVSA-N -1 0 353.419 -0.463 20 0 FBADRM C[C@](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)(C(=O)[O-])C1CC1 ZINC000736632128 600201666 /nfs/dbraw/zinc/20/16/66/600201666.db2.gz BZYXSYBINMQYBF-YVEFUNNKSA-N -1 0 353.419 -0.463 20 0 FBADRM C[C@@](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)(C(=O)[O-])C1CC1 ZINC000736633016 600618231 /nfs/dbraw/zinc/61/82/31/600618231.db2.gz IWLNIDLOVADYNZ-BMIGLBTASA-N -1 0 371.415 -0.479 20 0 FBADRM C[C@@](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)(C(=O)[O-])C1CC1 ZINC000736633017 600618317 /nfs/dbraw/zinc/61/83/17/600618317.db2.gz IWLNIDLOVADYNZ-BONVTDFDSA-N -1 0 371.415 -0.479 20 0 FBADRM C[C@](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)(C(=O)[O-])C1CC1 ZINC000736633018 600618243 /nfs/dbraw/zinc/61/82/43/600618243.db2.gz IWLNIDLOVADYNZ-MEBBXXQBSA-N -1 0 371.415 -0.479 20 0 FBADRM C[C@](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)(C(=O)[O-])C1CC1 ZINC000736633019 600618293 /nfs/dbraw/zinc/61/82/93/600618293.db2.gz IWLNIDLOVADYNZ-ZUZCIYMTSA-N -1 0 371.415 -0.479 20 0 FBADRM C[C@](NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)(C(=O)[O-])C1CC1 ZINC000736633157 600201741 /nfs/dbraw/zinc/20/17/41/600201741.db2.gz MFPQSANLMGJFIP-BPYAMOTFSA-N -1 0 358.416 -0.609 20 0 FBADRM C[C@](NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)(C(=O)[O-])C1CC1 ZINC000736633158 600201583 /nfs/dbraw/zinc/20/15/83/600201583.db2.gz MFPQSANLMGJFIP-CCUNJIBTSA-N -1 0 358.416 -0.609 20 0 FBADRM C[C@](NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)(C(=O)[O-])C1CC1 ZINC000736633159 600201559 /nfs/dbraw/zinc/20/15/59/600201559.db2.gz MFPQSANLMGJFIP-XDMRBOTDSA-N -1 0 358.416 -0.609 20 0 FBADRM C[C@](NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)(C(=O)[O-])C1CC1 ZINC000736633160 600201661 /nfs/dbraw/zinc/20/16/61/600201661.db2.gz MFPQSANLMGJFIP-ZVWUFJHRSA-N -1 0 358.416 -0.609 20 0 FBADRM CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC000736634493 599514125 /nfs/dbraw/zinc/51/41/25/599514125.db2.gz HXPYXYREZIHDJB-UHFFFAOYSA-N -1 0 358.322 -0.967 20 0 FBADRM C[C@@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000736646121 600032822 /nfs/dbraw/zinc/03/28/22/600032822.db2.gz QORFXWKNNFJPFR-BXKDBHETSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000736646122 600032877 /nfs/dbraw/zinc/03/28/77/600032877.db2.gz QORFXWKNNFJPFR-CABZTGNLSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000736646123 600033098 /nfs/dbraw/zinc/03/30/98/600033098.db2.gz QORFXWKNNFJPFR-JOYOIKCWSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000736646124 600033002 /nfs/dbraw/zinc/03/30/02/600033002.db2.gz QORFXWKNNFJPFR-SKDRFNHKSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)c1cccc(S(N)(=O)=O)c1 ZINC000736646133 600033210 /nfs/dbraw/zinc/03/32/10/600033210.db2.gz RAXWLNCUJGPCAD-BXKDBHETSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)c1cccc(S(N)(=O)=O)c1 ZINC000736646134 600033487 /nfs/dbraw/zinc/03/34/87/600033487.db2.gz RAXWLNCUJGPCAD-CABZTGNLSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)c1cccc(S(N)(=O)=O)c1 ZINC000736646135 600033287 /nfs/dbraw/zinc/03/32/87/600033287.db2.gz RAXWLNCUJGPCAD-JOYOIKCWSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)c1cccc(S(N)(=O)=O)c1 ZINC000736646136 600033465 /nfs/dbraw/zinc/03/34/65/600033465.db2.gz RAXWLNCUJGPCAD-SKDRFNHKSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000736652239 599884029 /nfs/dbraw/zinc/88/40/29/599884029.db2.gz BOQXDSVOUOHHOS-BDAKNGLRSA-N -1 0 362.342 -0.186 20 0 FBADRM C[C@@H](OC(=O)[C@H](C)NC(=O)c1[nH]nc2ccccc21)C(=O)NCC(=O)[O-] ZINC000736652242 599884340 /nfs/dbraw/zinc/88/43/40/599884340.db2.gz BOQXDSVOUOHHOS-DTWKUNHWSA-N -1 0 362.342 -0.186 20 0 FBADRM C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000736652245 599884047 /nfs/dbraw/zinc/88/40/47/599884047.db2.gz BOQXDSVOUOHHOS-IUCAKERBSA-N -1 0 362.342 -0.186 20 0 FBADRM C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000736652248 599884051 /nfs/dbraw/zinc/88/40/51/599884051.db2.gz BOQXDSVOUOHHOS-RKDXNWHRSA-N -1 0 362.342 -0.186 20 0 FBADRM C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)OCC(=O)NCCC(=O)[O-] ZINC000736652650 599884291 /nfs/dbraw/zinc/88/42/91/599884291.db2.gz JMTNGDHXDGCGDJ-SECBINFHSA-N -1 0 362.342 -0.185 20 0 FBADRM C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)OCC(=O)NCCC(=O)[O-] ZINC000736652653 599884033 /nfs/dbraw/zinc/88/40/33/599884033.db2.gz JMTNGDHXDGCGDJ-VIFPVBQESA-N -1 0 362.342 -0.185 20 0 FBADRM C[C@H](NC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1)C(=O)N(C)C ZINC000736652976 600592239 /nfs/dbraw/zinc/59/22/39/600592239.db2.gz SCVDMBGVCYMGOT-JTQLQIEISA-N -1 0 360.370 -0.001 20 0 FBADRM C[C@@H](NC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1)C(=O)N(C)C ZINC000736652979 601742418 /nfs/dbraw/zinc/74/24/18/601742418.db2.gz SCVDMBGVCYMGOT-SNVBAGLBSA-N -1 0 360.370 -0.001 20 0 FBADRM C[C@@H](NC(=O)c1ccco1)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000736658256 600263247 /nfs/dbraw/zinc/26/32/47/600263247.db2.gz HQAZUSXIEFWYCT-GFCCVEGCSA-N -1 0 353.375 -0.357 20 0 FBADRM C[C@H](NC(=O)c1ccco1)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000736658257 600263242 /nfs/dbraw/zinc/26/32/42/600263242.db2.gz HQAZUSXIEFWYCT-LBPRGKRZSA-N -1 0 353.375 -0.357 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N=c2cc[nH]cc2-c2nnn[n-]2)C1 ZINC000736658610 599249713 /nfs/dbraw/zinc/24/97/13/599249713.db2.gz GGACFCQUGQHZGQ-SNVBAGLBSA-N -1 0 365.419 -0.316 20 0 FBADRM C[C@@H](NC(=O)c1ccoc1)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000736660392 600264821 /nfs/dbraw/zinc/26/48/21/600264821.db2.gz JNGFLWDJUOHWQV-GFCCVEGCSA-N -1 0 353.375 -0.357 20 0 FBADRM C[C@H](NC(=O)c1ccoc1)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000736660395 600264675 /nfs/dbraw/zinc/26/46/75/600264675.db2.gz JNGFLWDJUOHWQV-LBPRGKRZSA-N -1 0 353.375 -0.357 20 0 FBADRM C[C@@](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)(C(=O)[O-])C1CC1 ZINC000736670049 600239026 /nfs/dbraw/zinc/23/90/26/600239026.db2.gz GIBZWCKWRMYFIM-AWEZNQCLSA-N -1 0 353.356 -0.252 20 0 FBADRM C[C@](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)(C(=O)[O-])C1CC1 ZINC000736670050 600239012 /nfs/dbraw/zinc/23/90/12/600239012.db2.gz GIBZWCKWRMYFIM-CQSZACIVSA-N -1 0 353.356 -0.252 20 0 FBADRM C[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000736670679 600387251 /nfs/dbraw/zinc/38/72/51/600387251.db2.gz GQPGTAOMROORPV-SECBINFHSA-N -1 0 357.388 -0.694 20 0 FBADRM C[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000736670680 600387459 /nfs/dbraw/zinc/38/74/59/600387459.db2.gz GQPGTAOMROORPV-VIFPVBQESA-N -1 0 357.388 -0.694 20 0 FBADRM C[C@](O)(CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1)C1CC1 ZINC000736670855 600349629 /nfs/dbraw/zinc/34/96/29/600349629.db2.gz PKOGCTCJLQMDBM-KRWDZBQOSA-N -1 0 363.370 -0.283 20 0 FBADRM C[C@@](O)(CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1)C1CC1 ZINC000736670856 600349669 /nfs/dbraw/zinc/34/96/69/600349669.db2.gz PKOGCTCJLQMDBM-QGZVFWFLSA-N -1 0 363.370 -0.283 20 0 FBADRM C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000736670913 600535161 /nfs/dbraw/zinc/53/51/61/600535161.db2.gz OXUUSNNSIHSZQN-LURJTMIESA-N -1 0 359.389 -0.201 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000736670914 600535220 /nfs/dbraw/zinc/53/52/20/600535220.db2.gz OXUUSNNSIHSZQN-ZCFIWIBFSA-N -1 0 359.389 -0.201 20 0 FBADRM C[C@H](O)CCNC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000736676247 600550103 /nfs/dbraw/zinc/55/01/03/600550103.db2.gz LMTTZYXUNBVQPQ-JTQLQIEISA-N -1 0 351.359 -0.283 20 0 FBADRM C[C@@H](O)CCNC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000736676249 604869454 /nfs/dbraw/zinc/86/94/54/604869454.db2.gz LMTTZYXUNBVQPQ-SNVBAGLBSA-N -1 0 351.359 -0.283 20 0 FBADRM C[C@H](C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])N1C(=O)NC2(CCCC2)C1=O ZINC000736681247 599884913 /nfs/dbraw/zinc/88/49/13/599884913.db2.gz AIRSIRLEYRZJFL-BDAKNGLRSA-N -1 0 355.347 -0.628 20 0 FBADRM C[C@@H](OC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)NCC(=O)[O-] ZINC000736681248 599885154 /nfs/dbraw/zinc/88/51/54/599885154.db2.gz AIRSIRLEYRZJFL-DTWKUNHWSA-N -1 0 355.347 -0.628 20 0 FBADRM C[C@H](OC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)NCC(=O)[O-] ZINC000736681249 599884994 /nfs/dbraw/zinc/88/49/94/599884994.db2.gz AIRSIRLEYRZJFL-IUCAKERBSA-N -1 0 355.347 -0.628 20 0 FBADRM C[C@@H](OC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)NCC(=O)[O-] ZINC000736681250 599885052 /nfs/dbraw/zinc/88/50/52/599885052.db2.gz AIRSIRLEYRZJFL-RKDXNWHRSA-N -1 0 355.347 -0.628 20 0 FBADRM C[C@H](OC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000736682713 600177519 /nfs/dbraw/zinc/17/75/19/600177519.db2.gz GOOXWWUQVMTKLC-BKDNQFJXSA-N -1 0 356.356 -0.075 20 0 FBADRM C[C@H](OC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000736682716 600177375 /nfs/dbraw/zinc/17/73/75/600177375.db2.gz GOOXWWUQVMTKLC-SWPVVBRQSA-N -1 0 356.356 -0.075 20 0 FBADRM C[C@H](OC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000736682719 600177528 /nfs/dbraw/zinc/17/75/28/600177528.db2.gz GOOXWWUQVMTKLC-WHGOUJPWSA-N -1 0 356.356 -0.075 20 0 FBADRM C[C@H](OC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000736682722 600177400 /nfs/dbraw/zinc/17/74/00/600177400.db2.gz GOOXWWUQVMTKLC-XROYCOCOSA-N -1 0 356.356 -0.075 20 0 FBADRM C[C@H](OC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000736685149 599701721 /nfs/dbraw/zinc/70/17/21/599701721.db2.gz NNNQPEXHZYCHEX-BKDNQFJXSA-N -1 0 356.356 -0.075 20 0 FBADRM C[C@H](OC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000736685151 599701672 /nfs/dbraw/zinc/70/16/72/599701672.db2.gz NNNQPEXHZYCHEX-SWPVVBRQSA-N -1 0 356.356 -0.075 20 0 FBADRM C[C@H](OC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000736685153 599701739 /nfs/dbraw/zinc/70/17/39/599701739.db2.gz NNNQPEXHZYCHEX-WHGOUJPWSA-N -1 0 356.356 -0.075 20 0 FBADRM C[C@H](OC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000736685154 599701481 /nfs/dbraw/zinc/70/14/81/599701481.db2.gz NNNQPEXHZYCHEX-XROYCOCOSA-N -1 0 356.356 -0.075 20 0 FBADRM C[C@@H](OC(=O)C1CC(=O)NC(=O)C1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736686019 599944976 /nfs/dbraw/zinc/94/49/76/599944976.db2.gz QQVUITLJBSGBBR-SECBINFHSA-N -1 0 362.338 -0.015 20 0 FBADRM C[C@H](OC(=O)C1CC(=O)NC(=O)C1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736686092 599944930 /nfs/dbraw/zinc/94/49/30/599944930.db2.gz QQVUITLJBSGBBR-VIFPVBQESA-N -1 0 362.338 -0.015 20 0 FBADRM C[C@@H](OC(=O)CCNC(=O)c1[nH]nc2ccccc21)C(=O)NCC(=O)[O-] ZINC000736686908 599817291 /nfs/dbraw/zinc/81/72/91/599817291.db2.gz JPKRQOXYVPPCIM-SECBINFHSA-N -1 0 362.342 -0.185 20 0 FBADRM C[C@H](OC(=O)CCNC(=O)c1[nH]nc2ccccc21)C(=O)NCC(=O)[O-] ZINC000736686910 599817349 /nfs/dbraw/zinc/81/73/49/599817349.db2.gz JPKRQOXYVPPCIM-VIFPVBQESA-N -1 0 362.342 -0.185 20 0 FBADRM C[C@@H](OC(=O)CCCN(C)C(=O)[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000736687155 599875188 /nfs/dbraw/zinc/87/51/88/599875188.db2.gz WVIYTSIYLUSVCE-GHMZBOCLSA-N -1 0 364.420 -0.046 20 0 FBADRM C[C@@H](OC(=O)CCCN(C)C(=O)[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000736687156 599875123 /nfs/dbraw/zinc/87/51/23/599875123.db2.gz WVIYTSIYLUSVCE-MNOVXSKESA-N -1 0 364.420 -0.046 20 0 FBADRM C[C@H](OC(=O)CCCN(C)C(=O)[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000736687157 599874980 /nfs/dbraw/zinc/87/49/80/599874980.db2.gz WVIYTSIYLUSVCE-QWRGUYRKSA-N -1 0 364.420 -0.046 20 0 FBADRM C[C@H](OC(=O)CCCN(C)C(=O)[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000736687158 599875137 /nfs/dbraw/zinc/87/51/37/599875137.db2.gz WVIYTSIYLUSVCE-WDEREUQCSA-N -1 0 364.420 -0.046 20 0 FBADRM C[C@@H](OC(=O)CCCNC(=O)[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000736687351 602651021 /nfs/dbraw/zinc/65/10/21/602651021.db2.gz KWPVEVADKHIEGH-NXEZZACHSA-N -1 0 350.393 -0.389 20 0 FBADRM C[C@H](OC(=O)CCCNC(=O)[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000736687352 602651189 /nfs/dbraw/zinc/65/11/89/602651189.db2.gz KWPVEVADKHIEGH-UWVGGRQHSA-N -1 0 350.393 -0.389 20 0 FBADRM C[C@H](OC(=O)CCCNC(=O)[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000736687355 602651150 /nfs/dbraw/zinc/65/11/50/602651150.db2.gz KWPVEVADKHIEGH-VHSXEESVSA-N -1 0 350.393 -0.389 20 0 FBADRM C[C@@H](OC(=O)CCCNC(=O)[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000736687357 602651115 /nfs/dbraw/zinc/65/11/15/602651115.db2.gz KWPVEVADKHIEGH-ZJUUUORDSA-N -1 0 350.393 -0.389 20 0 FBADRM C[C@@H](OC(=O)CCNC(=O)[O-])C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000736687414 600199562 /nfs/dbraw/zinc/19/95/62/600199562.db2.gz LWHUUAOWBYRJTC-MRVPVSSYSA-N -1 0 359.360 -0.138 20 0 FBADRM C[C@H](OC(=O)CCNC(=O)[O-])C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000736687415 600199625 /nfs/dbraw/zinc/19/96/25/600199625.db2.gz LWHUUAOWBYRJTC-QMMMGPOBSA-N -1 0 359.360 -0.138 20 0 FBADRM C[C@@H](OC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)C(=O)NCC(=O)[O-] ZINC000736688572 600194701 /nfs/dbraw/zinc/19/47/01/600194701.db2.gz HCBJAINCTCRRRF-SECBINFHSA-N -1 0 360.326 -0.283 20 0 FBADRM C[C@H](OC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)C(=O)NCC(=O)[O-] ZINC000736688574 600194696 /nfs/dbraw/zinc/19/46/96/600194696.db2.gz HCBJAINCTCRRRF-VIFPVBQESA-N -1 0 360.326 -0.283 20 0 FBADRM C[C@H](OC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)C(=O)NCC(=O)[O-] ZINC000736688599 599751778 /nfs/dbraw/zinc/75/17/78/599751778.db2.gz HMFSHXQSQYPMRP-LURJTMIESA-N -1 0 364.763 -0.267 20 0 FBADRM C[C@@H](OC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)C(=O)NCC(=O)[O-] ZINC000736688600 599751858 /nfs/dbraw/zinc/75/18/58/599751858.db2.gz HMFSHXQSQYPMRP-ZCFIWIBFSA-N -1 0 364.763 -0.267 20 0 FBADRM C[C@@H](OC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)[O-] ZINC000736688994 600453139 /nfs/dbraw/zinc/45/31/39/600453139.db2.gz XNBGPJYJYFHNMY-BDAKNGLRSA-N -1 0 356.356 -0.297 20 0 FBADRM C[C@H](OC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)[O-] ZINC000736688997 600452900 /nfs/dbraw/zinc/45/29/00/600452900.db2.gz XNBGPJYJYFHNMY-DTWKUNHWSA-N -1 0 356.356 -0.297 20 0 FBADRM C[C@H](OC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)[O-] ZINC000736688999 600452883 /nfs/dbraw/zinc/45/28/83/600452883.db2.gz XNBGPJYJYFHNMY-IUCAKERBSA-N -1 0 356.356 -0.297 20 0 FBADRM C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)[O-] ZINC000736689001 600452942 /nfs/dbraw/zinc/45/29/42/600452942.db2.gz XNBGPJYJYFHNMY-RKDXNWHRSA-N -1 0 356.356 -0.297 20 0 FBADRM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000736689056 600165049 /nfs/dbraw/zinc/16/50/49/600165049.db2.gz XWCKHZMNLKEEQR-GWCFXTLKSA-N -1 0 351.359 -0.032 20 0 FBADRM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000736689057 600165040 /nfs/dbraw/zinc/16/50/40/600165040.db2.gz XWCKHZMNLKEEQR-GXFFZTMASA-N -1 0 351.359 -0.032 20 0 FBADRM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000736689059 600165003 /nfs/dbraw/zinc/16/50/03/600165003.db2.gz XWCKHZMNLKEEQR-MFKMUULPSA-N -1 0 351.359 -0.032 20 0 FBADRM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000736689060 600164944 /nfs/dbraw/zinc/16/49/44/600164944.db2.gz XWCKHZMNLKEEQR-ZWNOBZJWSA-N -1 0 351.359 -0.032 20 0 FBADRM C[C@@H](OC(=O)CCNC(=O)[O-])C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000736690110 600200401 /nfs/dbraw/zinc/20/04/01/600200401.db2.gz QUZFMWWEVUYQPK-MRVPVSSYSA-N -1 0 359.360 -0.138 20 0 FBADRM C[C@H](OC(=O)CCNC(=O)[O-])C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000736690114 600200326 /nfs/dbraw/zinc/20/03/26/600200326.db2.gz QUZFMWWEVUYQPK-QMMMGPOBSA-N -1 0 359.360 -0.138 20 0 FBADRM C[C@@H](OC(=O)CCNC(=O)[O-])C(=O)N1CCN(c2ncccn2)CC1 ZINC000736690347 600203502 /nfs/dbraw/zinc/20/35/02/600203502.db2.gz SHFBOZQVWCMSBU-LLVKDONJSA-N -1 0 351.363 -0.285 20 0 FBADRM C[C@H](OC(=O)CCNC(=O)[O-])C(=O)N1CCN(c2ncccn2)CC1 ZINC000736690350 600203504 /nfs/dbraw/zinc/20/35/04/600203504.db2.gz SHFBOZQVWCMSBU-NSHDSACASA-N -1 0 351.363 -0.285 20 0 FBADRM C[C@@H](OC(=O)CN1CC(=O)NC1=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736691027 600368059 /nfs/dbraw/zinc/36/80/59/600368059.db2.gz DTVZRPWYDLWYSK-SECBINFHSA-N -1 0 363.326 -0.516 20 0 FBADRM C[C@H](OC(=O)CN1CC(=O)NC1=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736691032 600368145 /nfs/dbraw/zinc/36/81/45/600368145.db2.gz DTVZRPWYDLWYSK-VIFPVBQESA-N -1 0 363.326 -0.516 20 0 FBADRM C[C@@H](OC(=O)c1ccc(F)c(NS(C)(=O)=O)c1)C(=O)NCC(=O)[O-] ZINC000736692951 599748649 /nfs/dbraw/zinc/74/86/49/599748649.db2.gz ZOZOUIXYGUUFRX-SSDOTTSWSA-N -1 0 362.335 -0.057 20 0 FBADRM C[C@H](OC(=O)c1ccc(F)c(NS(C)(=O)=O)c1)C(=O)NCC(=O)[O-] ZINC000736692953 599748639 /nfs/dbraw/zinc/74/86/39/599748639.db2.gz ZOZOUIXYGUUFRX-ZETCQYMHSA-N -1 0 362.335 -0.057 20 0 FBADRM C[C@@H](OC(=O)CN1CCN(c2ccccn2)CC1)C(=O)NCC(=O)[O-] ZINC000736693322 600738085 /nfs/dbraw/zinc/73/80/85/600738085.db2.gz OJOZNKVUIGOGEY-GFCCVEGCSA-N -1 0 350.375 -0.664 20 0 FBADRM C[C@H](OC(=O)CN1CCN(c2ccccn2)CC1)C(=O)NCC(=O)[O-] ZINC000736693324 600737811 /nfs/dbraw/zinc/73/78/11/600737811.db2.gz OJOZNKVUIGOGEY-LBPRGKRZSA-N -1 0 350.375 -0.664 20 0 FBADRM C[C@@H](OC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)[O-] ZINC000736693620 600039086 /nfs/dbraw/zinc/03/90/86/600039086.db2.gz QJFHETAXUANRAG-RXMQYKEDSA-N -1 0 359.136 -0.091 20 0 FBADRM C[C@H](OC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)[O-] ZINC000736693623 600038976 /nfs/dbraw/zinc/03/89/76/600038976.db2.gz QJFHETAXUANRAG-YFKPBYRVSA-N -1 0 359.136 -0.091 20 0 FBADRM C[C@@H](OC(=O)CNC(=O)N1CCc2ccccc2C1)C(=O)NCC(=O)[O-] ZINC000736693997 600733507 /nfs/dbraw/zinc/73/35/07/600733507.db2.gz RJPIDWLMHQRFIJ-LLVKDONJSA-N -1 0 363.370 -0.113 20 0 FBADRM C[C@H](OC(=O)CNC(=O)N1CCc2ccccc2C1)C(=O)NCC(=O)[O-] ZINC000736693999 600733921 /nfs/dbraw/zinc/73/39/21/600733921.db2.gz RJPIDWLMHQRFIJ-NSHDSACASA-N -1 0 363.370 -0.113 20 0 FBADRM C[C@@H](OC(=O)Cc1cccc(NS(C)(=O)=O)c1)C(=O)NCC(=O)[O-] ZINC000736694157 600107163 /nfs/dbraw/zinc/10/71/63/600107163.db2.gz TUXFCPXNAHGMHJ-SECBINFHSA-N -1 0 358.372 -0.267 20 0 FBADRM C[C@H](OC(=O)Cc1cccc(NS(C)(=O)=O)c1)C(=O)NCC(=O)[O-] ZINC000736694159 600107212 /nfs/dbraw/zinc/10/72/12/600107212.db2.gz TUXFCPXNAHGMHJ-VIFPVBQESA-N -1 0 358.372 -0.267 20 0 FBADRM CCc1nc(CCNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)cs1 ZINC000736700525 598352981 /nfs/dbraw/zinc/35/29/81/598352981.db2.gz UWWUBSWWGJQREH-UHFFFAOYSA-N -1 0 362.419 -0.062 20 0 FBADRM CCc1nn(CC(=O)NC[C@@H]2CCCO2)c(=O)c(-c2nnn[n-]2)c1CC ZINC000736704939 598640255 /nfs/dbraw/zinc/64/02/55/598640255.db2.gz APNHDPMXRQRYHV-JTQLQIEISA-N -1 0 361.406 -0.157 20 0 FBADRM CCc1nn(CC(=O)NC[C@H]2CCCO2)c(=O)c(-c2nnn[n-]2)c1CC ZINC000736704940 598640368 /nfs/dbraw/zinc/64/03/68/598640368.db2.gz APNHDPMXRQRYHV-SNVBAGLBSA-N -1 0 361.406 -0.157 20 0 FBADRM CCc1nn(CC(=O)NCCC(=O)OC)c(=O)c(-c2nnn[n-]2)c1CC ZINC000736704954 598643324 /nfs/dbraw/zinc/64/33/24/598643324.db2.gz BCOQBAFXBZTOQA-UHFFFAOYSA-N -1 0 363.378 -0.773 20 0 FBADRM CCc1nn(CCCN2C(=O)CNC2=O)c(=O)c(-c2nnn[n-]2)c1CC ZINC000736704986 598641563 /nfs/dbraw/zinc/64/15/63/598641563.db2.gz BKZFOGADLWBKMW-UHFFFAOYSA-N -1 0 360.378 -0.510 20 0 FBADRM CCc1nn(CCCS(=O)(=O)NC)c(=O)c(-c2nnn[n-]2)c1CC ZINC000736705469 598640138 /nfs/dbraw/zinc/64/01/38/598640138.db2.gz ITHVALIQWCJZSA-UHFFFAOYSA-N -1 0 355.424 -0.513 20 0 FBADRM CCc1nn(CC(=O)Nc2nc(C)no2)c(=O)c(-c2nnn[n-]2)c1CC ZINC000736705665 598641778 /nfs/dbraw/zinc/64/17/78/598641778.db2.gz NKWZFGKIISJZIL-UHFFFAOYSA-N -1 0 359.350 -0.122 20 0 FBADRM CCc1nn(CC(=O)NC(=O)NC2CC2)c(=O)c(-c2nnn[n-]2)c1CC ZINC000736705692 598643364 /nfs/dbraw/zinc/64/33/64/598643364.db2.gz NSTIJJMUWMAFIB-UHFFFAOYSA-N -1 0 360.378 -0.464 20 0 FBADRM CCc1nn(C[C@H](O)CN2CCOCC2)c(=O)c(-c2nnn[n-]2)c1CC ZINC000736705855 598374254 /nfs/dbraw/zinc/37/42/54/598374254.db2.gz QDZZSHBNOJMAAV-LLVKDONJSA-N -1 0 363.422 -0.759 20 0 FBADRM CCc1nn(C[C@@H](O)CN2CCOCC2)c(=O)c(-c2nnn[n-]2)c1CC ZINC000736705860 598374117 /nfs/dbraw/zinc/37/41/17/598374117.db2.gz QDZZSHBNOJMAAV-NSHDSACASA-N -1 0 363.422 -0.759 20 0 FBADRM CCc1nn(CCN2C(=O)NC(C)(C)C2=O)c(=O)c(-c2nnn[n-]2)c1CC ZINC000736706080 598377897 /nfs/dbraw/zinc/37/78/97/598377897.db2.gz SUZXGEGXEOVIHC-UHFFFAOYSA-N -1 0 374.405 -0.121 20 0 FBADRM CCc1nn(CCNS(=O)(=O)CC)c(=O)c(-c2nnn[n-]2)c1CC ZINC000736706134 598640027 /nfs/dbraw/zinc/64/00/27/598640027.db2.gz HMRMGGDUIAZREJ-UHFFFAOYSA-N -1 0 355.424 -0.513 20 0 FBADRM CCc1nn(CCCS(=O)(=O)N(C)C)c(=O)c(-c2nnn[n-]2)c1CC ZINC000736706480 598642383 /nfs/dbraw/zinc/64/23/83/598642383.db2.gz WXIISFPBWFHMQT-UHFFFAOYSA-N -1 0 369.451 -0.170 20 0 FBADRM CCc1nn(CC(=O)N2CCO[C@@H](C)C2)c(=O)c(-c2nnn[n-]2)c1CC ZINC000736706901 598379793 /nfs/dbraw/zinc/37/97/93/598379793.db2.gz ZYLIMXUEUXEDGK-JTQLQIEISA-N -1 0 361.406 -0.205 20 0 FBADRM CCc1nn(CC(=O)N2CCO[C@H](C)C2)c(=O)c(-c2nnn[n-]2)c1CC ZINC000736706902 598379736 /nfs/dbraw/zinc/37/97/36/598379736.db2.gz ZYLIMXUEUXEDGK-SNVBAGLBSA-N -1 0 361.406 -0.205 20 0 FBADRM CCc1nn(Cc2nc(N)nc(N(C)C)n2)c(=O)c(-c2nnn[n-]2)c1CC ZINC000736708643 598642417 /nfs/dbraw/zinc/64/24/17/598642417.db2.gz YOJNLULSEOFDJF-UHFFFAOYSA-N -1 0 371.409 -0.570 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H](O)COCc2ccccc2)c1=O ZINC000736713155 598918666 /nfs/dbraw/zinc/91/86/66/598918666.db2.gz GLBUKYSETCYCFV-CYBMUJFWSA-N -1 0 372.385 -0.212 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC(=O)c2cc(C(=O)OC)co2)c1=O ZINC000736713233 598789189 /nfs/dbraw/zinc/78/91/89/598789189.db2.gz JIIXTHNNSTWDKM-UHFFFAOYSA-N -1 0 374.313 -0.528 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC(=O)OCc2ccccc2)c1=O ZINC000736713684 598492669 /nfs/dbraw/zinc/49/26/69/598492669.db2.gz LCQWFSVQVDYMRM-UHFFFAOYSA-N -1 0 356.342 -0.047 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2ccc(C(=O)NC)cc2)c1=O ZINC000736714477 598546198 /nfs/dbraw/zinc/54/61/98/598546198.db2.gz RRIRIGHWMWUDSC-UHFFFAOYSA-N -1 0 355.358 -0.382 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n([C@@H]2CCN(CC(F)(F)F)C2=O)c1=O ZINC000736714675 599288286 /nfs/dbraw/zinc/28/82/86/599288286.db2.gz UCPCWPNFVIZDTJ-MRVPVSSYSA-N -1 0 373.295 -0.454 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n([C@H]2CCN(CC(F)(F)F)C2=O)c1=O ZINC000736714678 599288165 /nfs/dbraw/zinc/28/81/65/599288165.db2.gz UCPCWPNFVIZDTJ-QMMMGPOBSA-N -1 0 373.295 -0.454 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC(=O)NCc2cccc(C)c2)c1=O ZINC000736714732 598640003 /nfs/dbraw/zinc/64/00/03/598640003.db2.gz UVIJLGBFHMHMNV-UHFFFAOYSA-N -1 0 369.385 -0.165 20 0 FBADRM C[C@@H](Sc1nncn1C)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000736714859 600263403 /nfs/dbraw/zinc/26/34/03/600263403.db2.gz JRMAFTSELZBDNL-LLVKDONJSA-N -1 0 357.436 -0.459 20 0 FBADRM C[C@H](Sc1nncn1C)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000736714860 600263331 /nfs/dbraw/zinc/26/33/31/600263331.db2.gz JRMAFTSELZBDNL-NSHDSACASA-N -1 0 357.436 -0.459 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CCNC(=O)OC(C)(C)C)c1=O ZINC000736714955 598892280 /nfs/dbraw/zinc/89/22/80/598892280.db2.gz XSHSRHUDNKQBGB-UHFFFAOYSA-N -1 0 351.367 -0.265 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2c(C)nn(C)c2Cl)c1=O ZINC000736715003 598585267 /nfs/dbraw/zinc/58/52/67/598585267.db2.gz ZPMCDHNHIGUQNN-UHFFFAOYSA-N -1 0 350.770 -0.046 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cn(-c3ccccc3)nn2)c1=O ZINC000736718981 598363568 /nfs/dbraw/zinc/36/35/68/598363568.db2.gz MTFFPUCMENMXRB-UHFFFAOYSA-N -1 0 365.357 -0.161 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cccc(C(=O)NC)c2)c1=O ZINC000736718996 598860988 /nfs/dbraw/zinc/86/09/88/598860988.db2.gz NIXRTDCTHYEGSX-UHFFFAOYSA-N -1 0 355.358 -0.382 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2nc(CC(F)(F)F)no2)c1=O ZINC000736719986 599161414 /nfs/dbraw/zinc/16/14/14/599161414.db2.gz VDZCJUPXEUMKPR-UHFFFAOYSA-N -1 0 372.267 -0.254 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2nc(-c3ccoc3)no2)c1=O ZINC000736720027 598296358 /nfs/dbraw/zinc/29/63/58/598296358.db2.gz WWWUVNRQBYUVPY-UHFFFAOYSA-N -1 0 356.302 -0.099 20 0 FBADRM CCn1nc(C)c(CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)c1C ZINC000736727154 598457571 /nfs/dbraw/zinc/45/75/71/598457571.db2.gz BWZISBJBJXOSHE-UHFFFAOYSA-N -1 0 359.394 -0.291 20 0 FBADRM CC1(C)C(=O)N(CC(=O)Nc2ccccc2C(=O)[O-])C(=O)N1CC(N)=O ZINC000736728901 600519218 /nfs/dbraw/zinc/51/92/18/600519218.db2.gz OZKBVWFJTARAMD-UHFFFAOYSA-N -1 0 362.342 -0.149 20 0 FBADRM CC1(C)C(=O)NC(=O)N1CC(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000736728925 600579634 /nfs/dbraw/zinc/57/96/34/600579634.db2.gz PEEFQZCWCSUWQE-UHFFFAOYSA-N -1 0 355.347 -0.817 20 0 FBADRM CC1(C)C(=O)NC(=O)N1CC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000736729024 600564136 /nfs/dbraw/zinc/56/41/36/600564136.db2.gz QYZHIIQBNSMWHC-UHFFFAOYSA-N -1 0 362.342 -0.230 20 0 FBADRM CC1(C)C(=O)N(CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1CC(N)=O ZINC000736729721 600519186 /nfs/dbraw/zinc/51/91/86/600519186.db2.gz VBRIUGNMDDBFNK-UHFFFAOYSA-N -1 0 362.342 -0.149 20 0 FBADRM CC1(C)NC(=O)N(CCC(=O)OCc2noc(CCC(=O)[O-])n2)C1=O ZINC000736736648 600186352 /nfs/dbraw/zinc/18/63/52/600186352.db2.gz BCFGXOSMSUVIEX-UHFFFAOYSA-N -1 0 354.319 -0.150 20 0 FBADRM CC1(C)NC(=O)N(CC(=O)OCc2noc(CCCC(=O)[O-])n2)C1=O ZINC000736736879 600182283 /nfs/dbraw/zinc/18/22/83/600182283.db2.gz HJDXUBBFHYPRLS-UHFFFAOYSA-N -1 0 354.319 -0.150 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)OCc2noc(CCC(=O)[O-])n2)C1=O ZINC000736738345 600184190 /nfs/dbraw/zinc/18/41/90/600184190.db2.gz SPKQCECRFOAQDR-HNNXBMFYSA-N -1 0 366.330 -0.150 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)OCc2noc(CCC(=O)[O-])n2)C1=O ZINC000736738346 600184043 /nfs/dbraw/zinc/18/40/43/600184043.db2.gz SPKQCECRFOAQDR-OAHLLOKOSA-N -1 0 366.330 -0.150 20 0 FBADRM CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1cccc(-c2nn[nH]n2)c1 ZINC000736738670 598424284 /nfs/dbraw/zinc/42/42/84/598424284.db2.gz GFYGJCYSYAVRLA-UHFFFAOYSA-N -1 0 351.330 -0.086 20 0 FBADRM C[C@@]1(c2ccc(C(N)=O)cc2)NC(=O)N(CC(=O)NCCC(=O)[O-])C1=O ZINC000736739121 600059200 /nfs/dbraw/zinc/05/92/00/600059200.db2.gz WJATZMGDNIWEBD-INIZCTEOSA-N -1 0 362.342 -0.857 20 0 FBADRM C[C@]1(c2ccc(C(N)=O)cc2)NC(=O)N(CC(=O)NCCC(=O)[O-])C1=O ZINC000736739122 600059097 /nfs/dbraw/zinc/05/90/97/600059097.db2.gz WJATZMGDNIWEBD-MRXNPFEDSA-N -1 0 362.342 -0.857 20 0 FBADRM C[C@@]1(c2cccc(C(N)=O)c2)NC(=O)N(CC(=O)NCCC(=O)[O-])C1=O ZINC000736740953 599731346 /nfs/dbraw/zinc/73/13/46/599731346.db2.gz IJCBKIDIEJVDBK-INIZCTEOSA-N -1 0 362.342 -0.857 20 0 FBADRM C[C@]1(c2cccc(C(N)=O)c2)NC(=O)N(CC(=O)NCCC(=O)[O-])C1=O ZINC000736740954 599731098 /nfs/dbraw/zinc/73/10/98/599731098.db2.gz IJCBKIDIEJVDBK-MRXNPFEDSA-N -1 0 362.342 -0.857 20 0 FBADRM C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1=O ZINC000736741759 599945228 /nfs/dbraw/zinc/94/52/28/599945228.db2.gz NYEHKCYLMPXMAY-PXAZEXFGSA-N -1 0 361.354 -0.234 20 0 FBADRM C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCO[C@H](C(=O)[O-])C2)C1=O ZINC000736741760 599945240 /nfs/dbraw/zinc/94/52/40/599945240.db2.gz NYEHKCYLMPXMAY-SJCJKPOMSA-N -1 0 361.354 -0.234 20 0 FBADRM C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1=O ZINC000736741761 599945152 /nfs/dbraw/zinc/94/51/52/599945152.db2.gz NYEHKCYLMPXMAY-SJKOYZFVSA-N -1 0 361.354 -0.234 20 0 FBADRM C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCO[C@H](C(=O)[O-])C2)C1=O ZINC000736741762 599944959 /nfs/dbraw/zinc/94/49/59/599944959.db2.gz NYEHKCYLMPXMAY-YVEFUNNKSA-N -1 0 361.354 -0.234 20 0 FBADRM C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2cnc(C(=O)[O-])n2)C1=O ZINC000736742283 600475053 /nfs/dbraw/zinc/47/50/53/600475053.db2.gz QJNQWPRCAIPAIK-HNNXBMFYSA-N -1 0 358.314 -0.525 20 0 FBADRM C[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2cnc(C(=O)[O-])n2)C1=O ZINC000736742287 600475183 /nfs/dbraw/zinc/47/51/83/600475183.db2.gz QJNQWPRCAIPAIK-OAHLLOKOSA-N -1 0 358.314 -0.525 20 0 FBADRM C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2n[nH]c(CC(=O)[O-])n2)C1=O ZINC000736743499 600180646 /nfs/dbraw/zinc/18/06/46/600180646.db2.gz ZMPGQTZLWCHGER-INIZCTEOSA-N -1 0 372.341 -0.163 20 0 FBADRM C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2n[nH]c(CC(=O)[O-])n2)C1=O ZINC000736743501 600180594 /nfs/dbraw/zinc/18/05/94/600180594.db2.gz ZMPGQTZLWCHGER-MRXNPFEDSA-N -1 0 372.341 -0.163 20 0 FBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000736746350 600241249 /nfs/dbraw/zinc/24/12/49/600241249.db2.gz JMEQJIQWAKUBIM-NXEZZACHSA-N -1 0 354.450 -0.465 20 0 FBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000736746352 600241331 /nfs/dbraw/zinc/24/13/31/600241331.db2.gz JMEQJIQWAKUBIM-UWVGGRQHSA-N -1 0 354.450 -0.465 20 0 FBADRM C[C@@H]1[C@H](C)N(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCS1(=O)=O ZINC000736746357 600241206 /nfs/dbraw/zinc/24/12/06/600241206.db2.gz JMEQJIQWAKUBIM-VHSXEESVSA-N -1 0 354.450 -0.465 20 0 FBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000736746364 600241282 /nfs/dbraw/zinc/24/12/82/600241282.db2.gz JMEQJIQWAKUBIM-ZJUUUORDSA-N -1 0 354.450 -0.465 20 0 FBADRM C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N[C@@H](CO)C(=O)[O-])C2=O ZINC000736747825 599744575 /nfs/dbraw/zinc/74/45/75/599744575.db2.gz CITWLNONXKEYMD-KCWFYHRYSA-N -1 0 355.391 -0.315 20 0 FBADRM C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N[C@@H](CO)C(=O)[O-])C2=O ZINC000736747826 599744470 /nfs/dbraw/zinc/74/44/70/599744470.db2.gz CITWLNONXKEYMD-LSYCYVAJSA-N -1 0 355.391 -0.315 20 0 FBADRM C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N[C@H](CO)C(=O)[O-])C2=O ZINC000736747828 599744585 /nfs/dbraw/zinc/74/45/85/599744585.db2.gz CITWLNONXKEYMD-LYGAQUJYSA-N -1 0 355.391 -0.315 20 0 FBADRM C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N[C@H](CO)C(=O)[O-])C2=O ZINC000736747829 599744537 /nfs/dbraw/zinc/74/45/37/599744537.db2.gz CITWLNONXKEYMD-XIZWVBILSA-N -1 0 355.391 -0.315 20 0 FBADRM C[C@H]1C(=O)NCCN1C(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1 ZINC000736747838 600060146 /nfs/dbraw/zinc/06/01/46/600060146.db2.gz QAXCSLKXPARBKT-JTQLQIEISA-N -1 0 358.354 -0.247 20 0 FBADRM C[C@@H]1C(=O)NCCN1C(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1 ZINC000736747839 600060125 /nfs/dbraw/zinc/06/01/25/600060125.db2.gz QAXCSLKXPARBKT-SNVBAGLBSA-N -1 0 358.354 -0.247 20 0 FBADRM C[C@@]12CCC(=O)N1[C@H](C(=O)N(CCN1CCOCC1)CC(=O)[O-])CS2 ZINC000736748694 600243594 /nfs/dbraw/zinc/24/35/94/600243594.db2.gz ZCWGOGDUBBQYKE-BLLLJJGKSA-N -1 0 371.459 -0.314 20 0 FBADRM C[C@]12CCC(=O)N1[C@H](C(=O)N(CCN1CCOCC1)CC(=O)[O-])CS2 ZINC000736748697 600243423 /nfs/dbraw/zinc/24/34/23/600243423.db2.gz ZCWGOGDUBBQYKE-LRDDRELGSA-N -1 0 371.459 -0.314 20 0 FBADRM C[C@@]12CCC(=O)N1[C@@H](C(=O)N(CCN1CCOCC1)CC(=O)[O-])CS2 ZINC000736748700 600243562 /nfs/dbraw/zinc/24/35/62/600243562.db2.gz ZCWGOGDUBBQYKE-MLGOLLRUSA-N -1 0 371.459 -0.314 20 0 FBADRM C[C@]12CCC(=O)N1[C@@H](C(=O)N(CCN1CCOCC1)CC(=O)[O-])CS2 ZINC000736748703 600243580 /nfs/dbraw/zinc/24/35/80/600243580.db2.gz ZCWGOGDUBBQYKE-WBMJQRKESA-N -1 0 371.459 -0.314 20 0 FBADRM C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(CC(=O)NCC(=O)[O-])CC2)C1 ZINC000736750309 600955270 /nfs/dbraw/zinc/95/52/70/600955270.db2.gz NZSIQVFZSLZRPL-KBPBESRZSA-N -1 0 354.451 -0.691 20 0 FBADRM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(CC(=O)NCC(=O)[O-])CC2)C1 ZINC000736750310 600955232 /nfs/dbraw/zinc/95/52/32/600955232.db2.gz NZSIQVFZSLZRPL-OKILXGFUSA-N -1 0 354.451 -0.691 20 0 FBADRM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)NCC(=O)[O-])CC2)C1 ZINC000736750312 600955113 /nfs/dbraw/zinc/95/51/13/600955113.db2.gz NZSIQVFZSLZRPL-ZIAGYGMSSA-N -1 0 354.451 -0.691 20 0 FBADRM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(CC(=O)NCCC(=O)[O-])CC2)C1 ZINC000736750314 600956164 /nfs/dbraw/zinc/95/61/64/600956164.db2.gz OAPWPIANPZDVKY-GASCZTMLSA-N -1 0 368.478 -0.301 20 0 FBADRM C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(CC(=O)NCCC(=O)[O-])CC2)C1 ZINC000736750315 600956502 /nfs/dbraw/zinc/95/65/02/600956502.db2.gz OAPWPIANPZDVKY-GJZGRUSLSA-N -1 0 368.478 -0.301 20 0 FBADRM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)NCCC(=O)[O-])CC2)C1 ZINC000736750317 600956517 /nfs/dbraw/zinc/95/65/17/600956517.db2.gz OAPWPIANPZDVKY-HUUCEWRRSA-N -1 0 368.478 -0.301 20 0 FBADRM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)ccn1 ZINC000736752074 599518652 /nfs/dbraw/zinc/51/86/52/599518652.db2.gz SOHYOTBWOCAWLN-UHFFFAOYSA-N -1 0 374.386 -0.419 20 0 FBADRM C[C@H]1C[C@H](C)CN(S(=O)(=O)N(CCN2CCOCC2)CC(=O)[O-])C1 ZINC000736757207 600161907 /nfs/dbraw/zinc/16/19/07/600161907.db2.gz ZKYXNZTVLZMIGP-KBPBESRZSA-N -1 0 363.480 -0.072 20 0 FBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N(CCN2CCOCC2)CC(=O)[O-])C1 ZINC000736757208 600161858 /nfs/dbraw/zinc/16/18/58/600161858.db2.gz ZKYXNZTVLZMIGP-OKILXGFUSA-N -1 0 363.480 -0.072 20 0 FBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N(CCN2CCOCC2)CC(=O)[O-])C1 ZINC000736757209 600161692 /nfs/dbraw/zinc/16/16/92/600161692.db2.gz ZKYXNZTVLZMIGP-ZIAGYGMSSA-N -1 0 363.480 -0.072 20 0 FBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000736768877 599875299 /nfs/dbraw/zinc/87/52/99/599875299.db2.gz MVTUGQDMVBQOFO-SHARSMKWSA-N -1 0 368.478 -0.112 20 0 FBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000736768878 599875281 /nfs/dbraw/zinc/87/52/81/599875281.db2.gz MVTUGQDMVBQOFO-SLTAFYQDSA-N -1 0 368.478 -0.112 20 0 FBADRM CC1CCC(NC(=O)CN2CCN(CC(=O)NCCC(=O)[O-])CC2)CC1 ZINC000736769718 599875460 /nfs/dbraw/zinc/87/54/60/599875460.db2.gz XDUMUAHBCUFJKE-UHFFFAOYSA-N -1 0 368.478 -0.110 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(Cn2cccc(-c3nnn[n-]3)c2=O)o1 ZINC000736770834 598675754 /nfs/dbraw/zinc/67/57/54/598675754.db2.gz RTXWKSWKFDVRLN-UHFFFAOYSA-N -1 0 350.360 -0.080 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(NC(=O)Cn1cnc(C(=O)[O-])n1)C2=O ZINC000736772277 599824491 /nfs/dbraw/zinc/82/44/91/599824491.db2.gz ABUMJUYHXDJKQX-UHFFFAOYSA-N -1 0 350.335 -0.492 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1n[nH]c(CC(=O)[O-])n1)C2=O ZINC000736772327 600533011 /nfs/dbraw/zinc/53/30/11/600533011.db2.gz AMXUQQYHGQMWRA-UHFFFAOYSA-N -1 0 364.362 -0.129 20 0 FBADRM CC1CCC(NS(=O)(=O)CC(=O)OCC(=O)NCC(=O)[O-])CC1 ZINC000736772437 600088868 /nfs/dbraw/zinc/08/88/68/600088868.db2.gz BZMIBVDEKFLIHO-UHFFFAOYSA-N -1 0 350.393 -0.772 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(NC(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-])C2=O ZINC000736772440 600139777 /nfs/dbraw/zinc/13/97/77/600139777.db2.gz BZXYTKRQNFKRKC-OUBLUOKUSA-N -1 0 368.390 -0.962 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-])C2=O ZINC000736772454 599701601 /nfs/dbraw/zinc/70/16/01/599701601.db2.gz CIRJFCOZBSAHKD-IRUHPRPTSA-N -1 0 367.358 -0.218 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C2=O ZINC000736772455 599701717 /nfs/dbraw/zinc/70/17/17/599701717.db2.gz CIRJFCOZBSAHKD-JMKWCUKKSA-N -1 0 367.358 -0.218 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)[C@H]1C[C@H]1C(=O)[O-])C2=O ZINC000736772456 599701570 /nfs/dbraw/zinc/70/15/70/599701570.db2.gz CIRJFCOZBSAHKD-KBOWHTAGSA-N -1 0 367.358 -0.218 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)[C@H]1C[C@@H]1C(=O)[O-])C2=O ZINC000736772457 599701726 /nfs/dbraw/zinc/70/17/26/599701726.db2.gz CIRJFCOZBSAHKD-VMMIQUJESA-N -1 0 367.358 -0.218 20 0 FBADRM C[C@@H](OC(=O)CS(=O)(=O)NC1CCC(C)CC1)C(=O)NCC(=O)[O-] ZINC000736772458 600088926 /nfs/dbraw/zinc/08/89/26/600088926.db2.gz CMCYNEQGRRNMCQ-HSOILSAZSA-N -1 0 364.420 -0.383 20 0 FBADRM C[C@H](OC(=O)CS(=O)(=O)NC1CCC(C)CC1)C(=O)NCC(=O)[O-] ZINC000736772459 600088809 /nfs/dbraw/zinc/08/88/09/600088809.db2.gz CMCYNEQGRRNMCQ-YVNMAJEFSA-N -1 0 364.420 -0.383 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCO[C@H](C(=O)[O-])C1)C2=O ZINC000736772474 599974316 /nfs/dbraw/zinc/97/43/16/599974316.db2.gz DELHIVBQDKQEGY-CSJGVYOVSA-N -1 0 368.390 -0.696 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCO[C@@H](C(=O)[O-])C1)C2=O ZINC000736772475 599974282 /nfs/dbraw/zinc/97/42/82/599974282.db2.gz DELHIVBQDKQEGY-NOEPWBJOSA-N -1 0 368.390 -0.696 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)CCNC(=O)[O-])C2=O ZINC000736772595 600203007 /nfs/dbraw/zinc/20/30/07/600203007.db2.gz GAZZCXFUHMIWPF-UHFFFAOYSA-N -1 0 370.362 -0.281 20 0 FBADRM CC1CCC(NS(=O)(=O)CC(=O)OCC(=O)NCCC(=O)[O-])CC1 ZINC000736772644 600088861 /nfs/dbraw/zinc/08/88/61/600088861.db2.gz GWVCTBJELAYRFH-UHFFFAOYSA-N -1 0 364.420 -0.381 20 0 FBADRM CC1CCC(NS(=O)(=O)CC(=O)Nc2n[nH]c(CC(=O)[O-])n2)CC1 ZINC000736773821 600537024 /nfs/dbraw/zinc/53/70/24/600537024.db2.gz XPOJEEJOMGHGIW-UHFFFAOYSA-N -1 0 359.408 -0.132 20 0 FBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000736774751 599929031 /nfs/dbraw/zinc/92/90/31/599929031.db2.gz HQBZPOCQZHFTPT-ILXRZTDVSA-N -1 0 368.478 -0.112 20 0 FBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000736774752 599929191 /nfs/dbraw/zinc/92/91/91/599929191.db2.gz HQBZPOCQZHFTPT-KFWWJZLASA-N -1 0 368.478 -0.112 20 0 FBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000736774753 599929155 /nfs/dbraw/zinc/92/91/55/599929155.db2.gz HQBZPOCQZHFTPT-QLFBSQMISA-N -1 0 368.478 -0.112 20 0 FBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000736774754 599929113 /nfs/dbraw/zinc/92/91/13/599929113.db2.gz HQBZPOCQZHFTPT-RBSFLKMASA-N -1 0 368.478 -0.112 20 0 FBADRM C[C@@H]1CCC[C@H](NC(=O)CN2CCN(CC(=O)NCCC(=O)[O-])CC2)C1 ZINC000736775089 599929196 /nfs/dbraw/zinc/92/91/96/599929196.db2.gz JTNIZQCLOCFHEW-CABCVRRESA-N -1 0 368.478 -0.110 20 0 FBADRM C[C@H]1CCC[C@H](NC(=O)CN2CCN(CC(=O)NCCC(=O)[O-])CC2)C1 ZINC000736775090 599929016 /nfs/dbraw/zinc/92/90/16/599929016.db2.gz JTNIZQCLOCFHEW-GJZGRUSLSA-N -1 0 368.478 -0.110 20 0 FBADRM C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(CC(=O)NCCC(=O)[O-])CC2)C1 ZINC000736775091 599929021 /nfs/dbraw/zinc/92/90/21/599929021.db2.gz JTNIZQCLOCFHEW-HUUCEWRRSA-N -1 0 368.478 -0.110 20 0 FBADRM C[C@H]1CCC[C@@H](NC(=O)CN2CCN(CC(=O)NCCC(=O)[O-])CC2)C1 ZINC000736775092 599929138 /nfs/dbraw/zinc/92/91/38/599929138.db2.gz JTNIZQCLOCFHEW-LSDHHAIUSA-N -1 0 368.478 -0.110 20 0 FBADRM CN(C)c1nnc(Sc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)s1 ZINC000736777943 598537519 /nfs/dbraw/zinc/53/75/19/598537519.db2.gz FBMKMQDNALUGAB-UHFFFAOYSA-N -1 0 367.420 -0.667 20 0 FBADRM CN(CCCC(=O)NCc1nnn[n-]1)C1=NS(=O)(=O)c2ccccc21 ZINC000736792824 660404233 /nfs/dbraw/zinc/40/42/33/660404233.db2.gz QIUSGPMASAZEGN-UHFFFAOYSA-N -1 0 363.403 -0.323 20 0 FBADRM CN(CCN(C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)c1ccccc1 ZINC000736799648 598468750 /nfs/dbraw/zinc/46/87/50/598468750.db2.gz VGBCPCBYFQLGJG-UHFFFAOYSA-N -1 0 370.417 -0.163 20 0 FBADRM CN(CCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)CC(F)(F)F ZINC000736800642 598755990 /nfs/dbraw/zinc/75/59/90/598755990.db2.gz LDRZTTDHXCDHNZ-UHFFFAOYSA-N -1 0 362.316 -0.830 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)CCS1(=O)=O ZINC000736804653 600654764 /nfs/dbraw/zinc/65/47/64/600654764.db2.gz FWBQYJLFRKIBEU-JTQLQIEISA-N -1 0 370.383 -0.266 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)CCS1(=O)=O ZINC000736804655 600654930 /nfs/dbraw/zinc/65/49/30/600654930.db2.gz FWBQYJLFRKIBEU-SNVBAGLBSA-N -1 0 370.383 -0.266 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)CCS1(=O)=O ZINC000736804704 600654774 /nfs/dbraw/zinc/65/47/74/600654774.db2.gz HFGPEDBVCLYQNV-JTQLQIEISA-N -1 0 370.383 -0.266 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)CCS1(=O)=O ZINC000736804705 600654899 /nfs/dbraw/zinc/65/48/99/600654899.db2.gz HFGPEDBVCLYQNV-SNVBAGLBSA-N -1 0 370.383 -0.266 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)CCS1(=O)=O ZINC000736805343 600654796 /nfs/dbraw/zinc/65/47/96/600654796.db2.gz OQOLFZQQTGXEDK-JTQLQIEISA-N -1 0 354.384 -0.102 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)CCS1(=O)=O ZINC000736805345 600654839 /nfs/dbraw/zinc/65/48/39/600654839.db2.gz OQOLFZQQTGXEDK-SNVBAGLBSA-N -1 0 354.384 -0.102 20 0 FBADRM CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000736814679 598424293 /nfs/dbraw/zinc/42/42/93/598424293.db2.gz RYOVFOHUORZAQA-UHFFFAOYSA-N -1 0 365.357 -0.090 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N(CCN2CCOCC2)CC(=O)[O-])C[C@H](C)O1 ZINC000736815111 600161756 /nfs/dbraw/zinc/16/17/56/600161756.db2.gz NVFXVSJEJLOHQD-BETUJISGSA-N -1 0 365.452 -0.941 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N(CCN2CCOCC2)CC(=O)[O-])C[C@@H](C)O1 ZINC000736815125 600161841 /nfs/dbraw/zinc/16/18/41/600161841.db2.gz NVFXVSJEJLOHQD-CHWSQXEVSA-N -1 0 365.452 -0.941 20 0 FBADRM C[C@H]1CN(S(=O)(=O)N(CCN2CCOCC2)CC(=O)[O-])C[C@H](C)O1 ZINC000736815127 600161726 /nfs/dbraw/zinc/16/17/26/600161726.db2.gz NVFXVSJEJLOHQD-STQMWFEESA-N -1 0 365.452 -0.941 20 0 FBADRM CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000736821489 598424356 /nfs/dbraw/zinc/42/43/56/598424356.db2.gz WXFGEKIRIOEYPC-UHFFFAOYSA-N -1 0 365.357 -0.090 20 0 FBADRM C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736822645 599881398 /nfs/dbraw/zinc/88/13/98/599881398.db2.gz UCLKKAMTGQABTR-GFCCVEGCSA-N -1 0 365.386 -0.075 20 0 FBADRM C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736822646 599881437 /nfs/dbraw/zinc/88/14/37/599881437.db2.gz UCLKKAMTGQABTR-LBPRGKRZSA-N -1 0 365.386 -0.075 20 0 FBADRM C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736822996 599881382 /nfs/dbraw/zinc/88/13/82/599881382.db2.gz UJDUKMGKBSJLQC-GFCCVEGCSA-N -1 0 365.386 -0.075 20 0 FBADRM C[C@H]1COCCN1CCNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736822999 599881357 /nfs/dbraw/zinc/88/13/57/599881357.db2.gz UJDUKMGKBSJLQC-LBPRGKRZSA-N -1 0 365.386 -0.075 20 0 FBADRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)CN1CC(=O)NC1=O ZINC000736824106 600361000 /nfs/dbraw/zinc/36/10/00/600361000.db2.gz NUKRMRQBRMBEKG-LLVKDONJSA-N -1 0 360.370 -0.026 20 0 FBADRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)CN1CC(=O)NC1=O ZINC000736824107 600360707 /nfs/dbraw/zinc/36/07/07/600360707.db2.gz NUKRMRQBRMBEKG-NSHDSACASA-N -1 0 360.370 -0.026 20 0 FBADRM C[C@@H]1Cc2cc(S(=O)(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])ccc2O1 ZINC000736824656 599977669 /nfs/dbraw/zinc/97/76/69/599977669.db2.gz DXQVSEKLOPQWGU-BXKDBHETSA-N -1 0 354.384 -0.026 20 0 FBADRM C[C@H]1Cc2cc(S(=O)(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])ccc2O1 ZINC000736824657 599977649 /nfs/dbraw/zinc/97/76/49/599977649.db2.gz DXQVSEKLOPQWGU-CABZTGNLSA-N -1 0 354.384 -0.026 20 0 FBADRM C[C@H]1Cc2cc(S(=O)(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])ccc2O1 ZINC000736824658 599977937 /nfs/dbraw/zinc/97/79/37/599977937.db2.gz DXQVSEKLOPQWGU-JOYOIKCWSA-N -1 0 354.384 -0.026 20 0 FBADRM C[C@@H]1Cc2cc(S(=O)(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])ccc2O1 ZINC000736824659 599977772 /nfs/dbraw/zinc/97/77/72/599977772.db2.gz DXQVSEKLOPQWGU-SKDRFNHKSA-N -1 0 354.384 -0.026 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CCS1(=O)=O ZINC000736825328 600447993 /nfs/dbraw/zinc/44/79/93/600447993.db2.gz RRZJLQRCGITFQW-JTQLQIEISA-N -1 0 363.413 -0.042 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CCS1(=O)=O ZINC000736825329 600447811 /nfs/dbraw/zinc/44/78/11/600447811.db2.gz RRZJLQRCGITFQW-SNVBAGLBSA-N -1 0 363.413 -0.042 20 0 FBADRM C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)Cn1cnc(C(=O)[O-])n1 ZINC000736825624 599825448 /nfs/dbraw/zinc/82/54/48/599825448.db2.gz OTGHEWIVBCUNQW-MRVPVSSYSA-N -1 0 365.371 -0.399 20 0 FBADRM C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)Cn1cnc(C(=O)[O-])n1 ZINC000736825627 599825350 /nfs/dbraw/zinc/82/53/50/599825350.db2.gz OTGHEWIVBCUNQW-QMMMGPOBSA-N -1 0 365.371 -0.399 20 0 FBADRM C[C@H]1Oc2ccc(NC(=O)C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2NC1=O ZINC000736832813 600055231 /nfs/dbraw/zinc/05/52/31/600055231.db2.gz BVDIADSUQDNHRR-PELKAZGASA-N -1 0 363.326 -0.344 20 0 FBADRM C[C@H]1Oc2ccc(NC(=O)C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2NC1=O ZINC000736832816 600055211 /nfs/dbraw/zinc/05/52/11/600055211.db2.gz BVDIADSUQDNHRR-PRHODGIISA-N -1 0 363.326 -0.344 20 0 FBADRM C[C@@H]1Oc2ccc(NC(=O)C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2NC1=O ZINC000736832820 600055221 /nfs/dbraw/zinc/05/52/21/600055221.db2.gz BVDIADSUQDNHRR-QPUJVOFHSA-N -1 0 363.326 -0.344 20 0 FBADRM C[C@@H]1Oc2ccc(NC(=O)C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2NC1=O ZINC000736832823 600055245 /nfs/dbraw/zinc/05/52/45/600055245.db2.gz BVDIADSUQDNHRR-UFBFGSQYSA-N -1 0 363.326 -0.344 20 0 FBADRM CCC(=O)N1CCC[C@H](C(=O)N(CCN2CCOCC2)CC(=O)[O-])C1 ZINC000736833185 600172111 /nfs/dbraw/zinc/17/21/11/600172111.db2.gz APZGSKXKRLKYIA-AWEZNQCLSA-N -1 0 355.435 -0.120 20 0 FBADRM CCC(=O)N1CCC[C@@H](C(=O)N(CCN2CCOCC2)CC(=O)[O-])C1 ZINC000736833189 600172168 /nfs/dbraw/zinc/17/21/68/600172168.db2.gz APZGSKXKRLKYIA-CQSZACIVSA-N -1 0 355.435 -0.120 20 0 FBADRM C[C@H]1NC(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)=NN(c2ccccc2)C1=O ZINC000736835950 600534385 /nfs/dbraw/zinc/53/43/85/600534385.db2.gz PFRWMNAZQNKZNH-MRVPVSSYSA-N -1 0 357.330 -0.291 20 0 FBADRM C[C@@H]1NC(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)=NN(c2ccccc2)C1=O ZINC000736835957 600534482 /nfs/dbraw/zinc/53/44/82/600534482.db2.gz PFRWMNAZQNKZNH-QMMMGPOBSA-N -1 0 357.330 -0.291 20 0 FBADRM CCC(=O)N1CSC[C@@H]1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000736839904 600264691 /nfs/dbraw/zinc/26/46/91/600264691.db2.gz NGRMFKQIAATYLY-GFCCVEGCSA-N -1 0 359.448 -0.457 20 0 FBADRM CCC(=O)N1CSC[C@H]1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000736839905 600264749 /nfs/dbraw/zinc/26/47/49/600264749.db2.gz NGRMFKQIAATYLY-LBPRGKRZSA-N -1 0 359.448 -0.457 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCN(C)c3ccccc3C2)n(C)c1=O ZINC000736867219 598522664 /nfs/dbraw/zinc/52/26/64/598522664.db2.gz KGFQHTNJFQGTRA-UHFFFAOYSA-N -1 0 368.401 -0.280 20 0 FBADRM CC[C@@](C)(NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000736867370 599983002 /nfs/dbraw/zinc/98/30/02/599983002.db2.gz DNTFNLFRPWFPSI-CYBMUJFWSA-N -1 0 356.360 -0.434 20 0 FBADRM CC[C@](C)(NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000736867372 599982996 /nfs/dbraw/zinc/98/29/96/599982996.db2.gz DNTFNLFRPWFPSI-ZDUSSCGKSA-N -1 0 356.360 -0.434 20 0 FBADRM CC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000736868451 600341138 /nfs/dbraw/zinc/34/11/38/600341138.db2.gz KFXKABAWGYOCCP-KRWDZBQOSA-N -1 0 365.386 -0.354 20 0 FBADRM CC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000736868452 600341168 /nfs/dbraw/zinc/34/11/68/600341168.db2.gz KFXKABAWGYOCCP-QGZVFWFLSA-N -1 0 365.386 -0.354 20 0 FBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CCC1 ZINC000736869007 598856025 /nfs/dbraw/zinc/85/60/25/598856025.db2.gz ACWTXNGXFYTRSF-UHFFFAOYSA-N -1 0 364.387 -0.412 20 0 FBADRM CC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000736870773 600341269 /nfs/dbraw/zinc/34/12/69/600341269.db2.gz ZHOSLUAJILFRTR-INIZCTEOSA-N -1 0 351.359 -0.283 20 0 FBADRM CC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000736870778 600341058 /nfs/dbraw/zinc/34/10/58/600341058.db2.gz ZHOSLUAJILFRTR-MRXNPFEDSA-N -1 0 351.359 -0.283 20 0 FBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CCC1 ZINC000736870886 598855709 /nfs/dbraw/zinc/85/57/09/598855709.db2.gz LJSMOBLSYZSWQG-UHFFFAOYSA-N -1 0 364.387 -0.412 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)NCCN1CCOCC1 ZINC000736871836 600273136 /nfs/dbraw/zinc/27/31/36/600273136.db2.gz VMMHWETVNXFNNR-CRWXNKLISA-N -1 0 355.435 -0.314 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)NCCN1CCOCC1 ZINC000736871839 600273749 /nfs/dbraw/zinc/27/37/49/600273749.db2.gz VMMHWETVNXFNNR-FQUUOJAGSA-N -1 0 355.435 -0.314 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)NCCN1CCOCC1 ZINC000736871840 600273413 /nfs/dbraw/zinc/27/34/13/600273413.db2.gz VMMHWETVNXFNNR-XUXIUFHCSA-N -1 0 355.435 -0.314 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCC[C@H](CNS(N)(=O)=O)C1)C(=O)[O-] ZINC000736873155 600168295 /nfs/dbraw/zinc/16/82/95/600168295.db2.gz AKGKOGIQLFERTD-DMDPSCGWSA-N -1 0 364.468 -0.893 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCC[C@@H](CNS(N)(=O)=O)C1)C(=O)[O-] ZINC000736873159 600168348 /nfs/dbraw/zinc/16/83/48/600168348.db2.gz AKGKOGIQLFERTD-GMXVVIOVSA-N -1 0 364.468 -0.893 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)CN1CCC[C@@H](CNS(N)(=O)=O)C1)C(=O)[O-] ZINC000736873163 600168140 /nfs/dbraw/zinc/16/81/40/600168140.db2.gz AKGKOGIQLFERTD-GVXVVHGQSA-N -1 0 364.468 -0.893 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)CN1CCC[C@H](CNS(N)(=O)=O)C1)C(=O)[O-] ZINC000736873166 600168337 /nfs/dbraw/zinc/16/83/37/600168337.db2.gz AKGKOGIQLFERTD-LOWVWBTDSA-N -1 0 364.468 -0.893 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000736876033 600247506 /nfs/dbraw/zinc/24/75/06/600247506.db2.gz YHZMLSYKIWWFMT-GZMMTYOYSA-N -1 0 350.375 -0.195 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000736876035 600247694 /nfs/dbraw/zinc/24/76/94/600247694.db2.gz YHZMLSYKIWWFMT-KCJUWKMLSA-N -1 0 350.375 -0.195 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000736876036 600247844 /nfs/dbraw/zinc/24/78/44/600247844.db2.gz YHZMLSYKIWWFMT-LDYMZIIASA-N -1 0 350.375 -0.195 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)CN(C)C(=O)[O-])C(=O)NCCN1CCOCC1 ZINC000736880234 600273673 /nfs/dbraw/zinc/27/36/73/600273673.db2.gz VJOHDBVVAQPGLV-GXTWGEPZSA-N -1 0 358.439 -0.425 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)CN(C)C(=O)[O-])C(=O)NCCN1CCOCC1 ZINC000736880235 600273585 /nfs/dbraw/zinc/27/35/85/600273585.db2.gz VJOHDBVVAQPGLV-JSGCOSHPSA-N -1 0 358.439 -0.425 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)CN(C)C(=O)[O-])C(=O)NCCN1CCOCC1 ZINC000736880236 600273645 /nfs/dbraw/zinc/27/36/45/600273645.db2.gz VJOHDBVVAQPGLV-OCCSQVGLSA-N -1 0 358.439 -0.425 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)CN(C)C(=O)[O-])C(=O)NCCN1CCOCC1 ZINC000736880237 600273520 /nfs/dbraw/zinc/27/35/20/600273520.db2.gz VJOHDBVVAQPGLV-TZMCWYRMSA-N -1 0 358.439 -0.425 20 0 FBADRM CC[C@H](C)[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000736880369 600519487 /nfs/dbraw/zinc/51/94/87/600519487.db2.gz OYWDXPHPQPNVHY-GWCFXTLKSA-N -1 0 365.386 -0.037 20 0 FBADRM CC[C@H](C)[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000736880370 600519380 /nfs/dbraw/zinc/51/93/80/600519380.db2.gz OYWDXPHPQPNVHY-GXFFZTMASA-N -1 0 365.386 -0.037 20 0 FBADRM CC[C@@H](C)[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000736880371 600519360 /nfs/dbraw/zinc/51/93/60/600519360.db2.gz OYWDXPHPQPNVHY-MFKMUULPSA-N -1 0 365.386 -0.037 20 0 FBADRM CC[C@@H](C)[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000736880372 600519461 /nfs/dbraw/zinc/51/94/61/600519461.db2.gz OYWDXPHPQPNVHY-ZWNOBZJWSA-N -1 0 365.386 -0.037 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN(CC(=O)NC(C)C)CC1)C(=O)[O-] ZINC000736885424 599993727 /nfs/dbraw/zinc/99/37/27/599993727.db2.gz NGBQNABMRRIFKI-BBRMVZONSA-N -1 0 356.467 -0.256 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)CN1CCN(CC(=O)NC(C)C)CC1)C(=O)[O-] ZINC000736885426 599993914 /nfs/dbraw/zinc/99/39/14/599993914.db2.gz NGBQNABMRRIFKI-CJNGLKHVSA-N -1 0 356.467 -0.256 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)CN1CCN(CC(=O)NC(C)C)CC1)C(=O)[O-] ZINC000736885428 599993703 /nfs/dbraw/zinc/99/37/03/599993703.db2.gz NGBQNABMRRIFKI-CZUORRHYSA-N -1 0 356.467 -0.256 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN(CC(=O)NC(C)C)CC1)C(=O)[O-] ZINC000736885433 599993856 /nfs/dbraw/zinc/99/38/56/599993856.db2.gz NGBQNABMRRIFKI-XJKSGUPXSA-N -1 0 356.467 -0.256 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN(CC(=O)NC2CC2)CC1)C(=O)[O-] ZINC000736886488 599995853 /nfs/dbraw/zinc/99/58/53/599995853.db2.gz QAYASJPRBRCKSE-BLLLJJGKSA-N -1 0 354.451 -0.502 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN(CC(=O)NC2CC2)CC1)C(=O)[O-] ZINC000736886489 599995786 /nfs/dbraw/zinc/99/57/86/599995786.db2.gz QAYASJPRBRCKSE-LRDDRELGSA-N -1 0 354.451 -0.502 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)CN1CCN(CC(=O)NC2CC2)CC1)C(=O)[O-] ZINC000736886490 599995673 /nfs/dbraw/zinc/99/56/73/599995673.db2.gz QAYASJPRBRCKSE-MLGOLLRUSA-N -1 0 354.451 -0.502 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)CN1CCN(CC(=O)NC2CC2)CC1)C(=O)[O-] ZINC000736886491 599995764 /nfs/dbraw/zinc/99/57/64/599995764.db2.gz QAYASJPRBRCKSE-WBMJQRKESA-N -1 0 354.451 -0.502 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000736889362 599990770 /nfs/dbraw/zinc/99/07/70/599990770.db2.gz XHKVBRLYVDHMDG-GUTXKFCHSA-N -1 0 355.435 -0.075 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000736889364 599990982 /nfs/dbraw/zinc/99/09/82/599990982.db2.gz XHKVBRLYVDHMDG-GZBFAFLISA-N -1 0 355.435 -0.075 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000736889366 599991006 /nfs/dbraw/zinc/99/10/06/599991006.db2.gz XHKVBRLYVDHMDG-KCQAQPDRSA-N -1 0 355.435 -0.075 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000736889368 599990690 /nfs/dbraw/zinc/99/06/90/599990690.db2.gz XHKVBRLYVDHMDG-YDHLFZDLSA-N -1 0 355.435 -0.075 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)CN1CCN(CC(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000736889667 599995876 /nfs/dbraw/zinc/99/58/76/599995876.db2.gz YHHIMTVPJHISRC-PBHICJAKSA-N -1 0 368.478 -0.158 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)CN1CCN(CC(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000736889668 599995708 /nfs/dbraw/zinc/99/57/08/599995708.db2.gz YHHIMTVPJHISRC-RHSMWYFYSA-N -1 0 368.478 -0.158 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN(CC(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000736889669 599995851 /nfs/dbraw/zinc/99/58/51/599995851.db2.gz YHHIMTVPJHISRC-WMLDXEAASA-N -1 0 368.478 -0.158 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN(CC(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000736889670 599995749 /nfs/dbraw/zinc/99/57/49/599995749.db2.gz YHHIMTVPJHISRC-YOEHRIQHSA-N -1 0 368.478 -0.158 20 0 FBADRM CC[C@H](COC)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000736905026 600508752 /nfs/dbraw/zinc/50/87/52/600508752.db2.gz OTAODBHHTWLOJZ-LLVKDONJSA-N -1 0 351.359 -0.019 20 0 FBADRM CC[C@@H](COC)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000736905027 600508790 /nfs/dbraw/zinc/50/87/90/600508790.db2.gz OTAODBHHTWLOJZ-NSHDSACASA-N -1 0 351.359 -0.019 20 0 FBADRM COC(=O)C1CCC(Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CC1 ZINC000736906968 598387522 /nfs/dbraw/zinc/38/75/22/598387522.db2.gz APTCZRQJIJKOOI-UHFFFAOYSA-N -1 0 363.378 -0.592 20 0 FBADRM COC(=O)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000736908565 598975991 /nfs/dbraw/zinc/97/59/91/598975991.db2.gz GSERQMJEPJNRFE-NXEZZACHSA-N -1 0 365.371 -0.211 20 0 FBADRM COC(=O)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000736908570 598975536 /nfs/dbraw/zinc/97/55/36/598975536.db2.gz GSERQMJEPJNRFE-UWVGGRQHSA-N -1 0 365.371 -0.211 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000736908572 598975746 /nfs/dbraw/zinc/97/57/46/598975746.db2.gz GSERQMJEPJNRFE-VHSXEESVSA-N -1 0 365.371 -0.211 20 0 FBADRM COC(=O)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000736908574 598975672 /nfs/dbraw/zinc/97/56/72/598975672.db2.gz GSERQMJEPJNRFE-ZJUUUORDSA-N -1 0 365.371 -0.211 20 0 FBADRM COC(=O)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736909213 598481577 /nfs/dbraw/zinc/48/15/77/598481577.db2.gz IODXIQSUYYUFFG-NXEZZACHSA-N -1 0 351.344 -0.519 20 0 FBADRM COC(=O)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736909215 598482029 /nfs/dbraw/zinc/48/20/29/598482029.db2.gz IODXIQSUYYUFFG-UWVGGRQHSA-N -1 0 351.344 -0.519 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736909216 598482084 /nfs/dbraw/zinc/48/20/84/598482084.db2.gz IODXIQSUYYUFFG-VHSXEESVSA-N -1 0 351.344 -0.519 20 0 FBADRM COC(=O)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736909218 598481598 /nfs/dbraw/zinc/48/15/98/598481598.db2.gz IODXIQSUYYUFFG-ZJUUUORDSA-N -1 0 351.344 -0.519 20 0 FBADRM COC(=O)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736910591 598481664 /nfs/dbraw/zinc/48/16/64/598481664.db2.gz PSOLSIIQJUPGPV-GHMZBOCLSA-N -1 0 365.371 -0.378 20 0 FBADRM COC(=O)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736910595 598482012 /nfs/dbraw/zinc/48/20/12/598482012.db2.gz PSOLSIIQJUPGPV-MNOVXSKESA-N -1 0 365.371 -0.378 20 0 FBADRM COC(=O)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736910599 598481815 /nfs/dbraw/zinc/48/18/15/598481815.db2.gz PSOLSIIQJUPGPV-QWRGUYRKSA-N -1 0 365.371 -0.378 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736910602 598481648 /nfs/dbraw/zinc/48/16/48/598481648.db2.gz PSOLSIIQJUPGPV-WDEREUQCSA-N -1 0 365.371 -0.378 20 0 FBADRM COC(=O)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[nH]n1 ZINC000736910627 598482040 /nfs/dbraw/zinc/48/20/40/598482040.db2.gz PWTQFGHXRFQSBK-GHMZBOCLSA-N -1 0 365.371 -0.378 20 0 FBADRM COC(=O)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[nH]n1 ZINC000736910629 598481925 /nfs/dbraw/zinc/48/19/25/598481925.db2.gz PWTQFGHXRFQSBK-MNOVXSKESA-N -1 0 365.371 -0.378 20 0 FBADRM COC(=O)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[nH]n1 ZINC000736910631 598481782 /nfs/dbraw/zinc/48/17/82/598481782.db2.gz PWTQFGHXRFQSBK-QWRGUYRKSA-N -1 0 365.371 -0.378 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[nH]n1 ZINC000736910633 598481977 /nfs/dbraw/zinc/48/19/77/598481977.db2.gz PWTQFGHXRFQSBK-WDEREUQCSA-N -1 0 365.371 -0.378 20 0 FBADRM COC(=O)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736911514 598481670 /nfs/dbraw/zinc/48/16/70/598481670.db2.gz WERPDVWYWABEBP-GHMZBOCLSA-N -1 0 365.371 -0.378 20 0 FBADRM COC(=O)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736911515 598481971 /nfs/dbraw/zinc/48/19/71/598481971.db2.gz WERPDVWYWABEBP-MNOVXSKESA-N -1 0 365.371 -0.378 20 0 FBADRM COC(=O)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736911516 598481751 /nfs/dbraw/zinc/48/17/51/598481751.db2.gz WERPDVWYWABEBP-QWRGUYRKSA-N -1 0 365.371 -0.378 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736911517 598481799 /nfs/dbraw/zinc/48/17/99/598481799.db2.gz WERPDVWYWABEBP-WDEREUQCSA-N -1 0 365.371 -0.378 20 0 FBADRM COC(=O)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736911870 598481832 /nfs/dbraw/zinc/48/18/32/598481832.db2.gz XVJJSUKKZMZOQI-NXEZZACHSA-N -1 0 351.344 -0.519 20 0 FBADRM COC(=O)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736911871 598481810 /nfs/dbraw/zinc/48/18/10/598481810.db2.gz XVJJSUKKZMZOQI-UWVGGRQHSA-N -1 0 351.344 -0.519 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736911872 598482052 /nfs/dbraw/zinc/48/20/52/598482052.db2.gz XVJJSUKKZMZOQI-VHSXEESVSA-N -1 0 351.344 -0.519 20 0 FBADRM COC(=O)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736911873 598481680 /nfs/dbraw/zinc/48/16/80/598481680.db2.gz XVJJSUKKZMZOQI-ZJUUUORDSA-N -1 0 351.344 -0.519 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736912714 598924437 /nfs/dbraw/zinc/92/44/37/598924437.db2.gz GBRGCZHOUKGDJS-UHFFFAOYSA-N -1 0 367.387 -0.192 20 0 FBADRM COC(=O)CCCc1nc(Cn2nc(C)c(C)c(-c3nnn[n-]3)c2=O)no1 ZINC000736912949 598640767 /nfs/dbraw/zinc/64/07/67/598640767.db2.gz JYVUDEZWLUJBDP-UHFFFAOYSA-N -1 0 374.361 -0.033 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736913274 598924783 /nfs/dbraw/zinc/92/47/83/598924783.db2.gz MEYCPDWLMXOFDQ-UHFFFAOYSA-N -1 0 353.360 -0.121 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1sccc1-c1nn[nH]n1 ZINC000736913429 599028250 /nfs/dbraw/zinc/02/82/50/599028250.db2.gz PVBUFLZHPZJDDJ-UHFFFAOYSA-N -1 0 359.389 -0.059 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736913667 598924858 /nfs/dbraw/zinc/92/48/58/598924858.db2.gz UXKSTSUBAKYRHK-UHFFFAOYSA-N -1 0 353.360 -0.121 20 0 FBADRM CC[C@](NCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)(C(=O)[O-])c1ccccc1 ZINC000736915424 600129335 /nfs/dbraw/zinc/12/93/35/600129335.db2.gz CVMNYCXLVXQDNI-GOSISDBHSA-N -1 0 374.397 -0.171 20 0 FBADRM CC[C@@](NCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)(C(=O)[O-])c1ccccc1 ZINC000736915426 600129529 /nfs/dbraw/zinc/12/95/29/600129529.db2.gz CVMNYCXLVXQDNI-SFHVURJKSA-N -1 0 374.397 -0.171 20 0 FBADRM COC(=O)CCNC(=O)Cn1cc(-c2nnn[n-]2)c(=O)c2ccccc21 ZINC000736918996 598719407 /nfs/dbraw/zinc/71/94/07/598719407.db2.gz MLIMDFVCXZNILZ-UHFFFAOYSA-N -1 0 356.342 -0.139 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)[O-] ZINC000736929985 598512680 /nfs/dbraw/zinc/51/26/80/598512680.db2.gz CMICRTIPTWDSOS-VIFPVBQESA-N -1 0 355.332 -0.839 20 0 FBADRM CC[C@H]1C(=O)NCCN1C(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000736930913 600121248 /nfs/dbraw/zinc/12/12/48/600121248.db2.gz ARNYDWGMCPQWGL-GWCFXTLKSA-N -1 0 361.354 -0.398 20 0 FBADRM CC[C@H]1C(=O)NCCN1C(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000736930915 600121107 /nfs/dbraw/zinc/12/11/07/600121107.db2.gz ARNYDWGMCPQWGL-GXFFZTMASA-N -1 0 361.354 -0.398 20 0 FBADRM CC[C@@H]1C(=O)NCCN1C(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000736930918 600121153 /nfs/dbraw/zinc/12/11/53/600121153.db2.gz ARNYDWGMCPQWGL-MFKMUULPSA-N -1 0 361.354 -0.398 20 0 FBADRM CC[C@@H]1C(=O)NCCN1C(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000736930920 600121093 /nfs/dbraw/zinc/12/10/93/600121093.db2.gz ARNYDWGMCPQWGL-ZWNOBZJWSA-N -1 0 361.354 -0.398 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1 ZINC000736930953 598637045 /nfs/dbraw/zinc/63/70/45/598637045.db2.gz KVDRUPBAUZREOL-MRVPVSSYSA-N -1 0 369.359 -0.747 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1 ZINC000736930955 598638070 /nfs/dbraw/zinc/63/80/70/598638070.db2.gz KVDRUPBAUZREOL-QMMMGPOBSA-N -1 0 369.359 -0.747 20 0 FBADRM COC(=O)Cc1cccc(Oc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)c1 ZINC000736931068 598580309 /nfs/dbraw/zinc/58/03/09/598580309.db2.gz OHVSANAUDSBONR-UHFFFAOYSA-N -1 0 372.341 -0.228 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)[O-] ZINC000736931095 598512620 /nfs/dbraw/zinc/51/26/20/598512620.db2.gz PHQLUBYMQCMYFR-VIFPVBQESA-N -1 0 355.332 -0.839 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccccc1-c1nn[nH]n1)C(=O)[O-] ZINC000736931507 598512900 /nfs/dbraw/zinc/51/29/00/598512900.db2.gz XAYOKPQTBOHIPA-QMMMGPOBSA-N -1 0 355.332 -0.839 20 0 FBADRM CC[C@]1(C)NC(=O)N(CC(=O)OCc2noc(CCC(=O)[O-])n2)C1=O ZINC000736932427 600182694 /nfs/dbraw/zinc/18/26/94/600182694.db2.gz QCMJMANUISFMKQ-AWEZNQCLSA-N -1 0 354.319 -0.150 20 0 FBADRM CC[C@@]1(C)NC(=O)N(CC(=O)OCc2noc(CCC(=O)[O-])n2)C1=O ZINC000736932428 600182636 /nfs/dbraw/zinc/18/26/36/600182636.db2.gz QCMJMANUISFMKQ-CQSZACIVSA-N -1 0 354.319 -0.150 20 0 FBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000736932471 598977531 /nfs/dbraw/zinc/97/75/31/598977531.db2.gz MACNUANRNKJMAA-UHFFFAOYSA-N -1 0 368.375 -0.322 20 0 FBADRM CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2cnc(C(=O)[O-])n2)C1=O ZINC000736932633 600473602 /nfs/dbraw/zinc/47/36/02/600473602.db2.gz ULBUYJVDVFYWPX-INIZCTEOSA-N -1 0 372.341 -0.135 20 0 FBADRM CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2cnc(C(=O)[O-])n2)C1=O ZINC000736932636 600473926 /nfs/dbraw/zinc/47/39/26/600473926.db2.gz ULBUYJVDVFYWPX-MRXNPFEDSA-N -1 0 372.341 -0.135 20 0 FBADRM COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)cn1 ZINC000736932843 598789241 /nfs/dbraw/zinc/78/92/41/598789241.db2.gz UDYYFFYUSRMZBF-UHFFFAOYSA-N -1 0 364.347 -0.568 20 0 FBADRM COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)n1 ZINC000736932904 660424132 /nfs/dbraw/zinc/42/41/32/660424132.db2.gz WRNHPPGBMXTCAF-UHFFFAOYSA-N -1 0 364.347 -0.568 20 0 FBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000736934336 598977537 /nfs/dbraw/zinc/97/75/37/598977537.db2.gz AKNLBBMXKAISNQ-UHFFFAOYSA-N -1 0 354.348 -0.664 20 0 FBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736936416 598786843 /nfs/dbraw/zinc/78/68/43/598786843.db2.gz QVXPYSKRWXNNCN-UHFFFAOYSA-N -1 0 354.348 -0.831 20 0 FBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736936450 598414568 /nfs/dbraw/zinc/41/45/68/598414568.db2.gz RFHDWQRMOZMZQF-UHFFFAOYSA-N -1 0 374.766 -0.319 20 0 FBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736937164 598485681 /nfs/dbraw/zinc/48/56/81/598485681.db2.gz JYBIRLJGSZUWOV-UHFFFAOYSA-N -1 0 368.375 -0.192 20 0 FBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000736937171 598974572 /nfs/dbraw/zinc/97/45/72/598974572.db2.gz KJHMVKZUWDDXFY-UHFFFAOYSA-N -1 0 368.375 -0.274 20 0 FBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736937568 598485304 /nfs/dbraw/zinc/48/53/04/598485304.db2.gz MMIGPKDVPMELAT-UHFFFAOYSA-N -1 0 368.375 -0.192 20 0 FBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736937654 598485588 /nfs/dbraw/zinc/48/55/88/598485588.db2.gz OKAGBJOZUZWFOA-UHFFFAOYSA-N -1 0 368.375 -0.441 20 0 FBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[nH]n1 ZINC000736937707 598485316 /nfs/dbraw/zinc/48/53/16/598485316.db2.gz PHDPHULBMLXEMW-UHFFFAOYSA-N -1 0 368.375 -0.441 20 0 FBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736938162 598485386 /nfs/dbraw/zinc/48/53/86/598485386.db2.gz QCAOLAPAFLLNKR-UHFFFAOYSA-N -1 0 368.375 -0.441 20 0 FBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CCCOC(=O)NC(N)=O)c1 ZINC000736938926 598892036 /nfs/dbraw/zinc/89/20/36/598892036.db2.gz DBMKOZVDABEGFE-UHFFFAOYSA-N -1 0 365.306 -0.990 20 0 FBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736938953 598485328 /nfs/dbraw/zinc/48/53/28/598485328.db2.gz WVJWBGFHJXNYHV-UHFFFAOYSA-N -1 0 354.348 -0.582 20 0 FBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CCCS(=O)(=O)N(C)C)c1 ZINC000736939010 598504003 /nfs/dbraw/zinc/50/40/03/598504003.db2.gz FKANMUJLGSYTDS-UHFFFAOYSA-N -1 0 370.391 -0.904 20 0 FBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736939402 598485357 /nfs/dbraw/zinc/48/53/57/598485357.db2.gz YMZIPBPNBPJQBN-UHFFFAOYSA-N -1 0 354.348 -0.582 20 0 FBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CC(=O)NCc2cccnc2)c1 ZINC000736939663 598613878 /nfs/dbraw/zinc/61/38/78/598613878.db2.gz JRFXWWPHDCQNEI-UHFFFAOYSA-N -1 0 369.341 -0.474 20 0 FBADRM COC(=O)c1ccc(CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)o1 ZINC000736947005 598943174 /nfs/dbraw/zinc/94/31/74/598943174.db2.gz AEKNSTUFHUFWTQ-UHFFFAOYSA-N -1 0 361.318 -0.744 20 0 FBADRM CCCC(=O)N1CSC[C@@H]1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000736949584 600265661 /nfs/dbraw/zinc/26/56/61/600265661.db2.gz UHVLEWVNACAXPF-CYBMUJFWSA-N -1 0 373.475 -0.067 20 0 FBADRM CCCC(=O)N1CSC[C@H]1C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000736949592 600265686 /nfs/dbraw/zinc/26/56/86/600265686.db2.gz UHVLEWVNACAXPF-ZDUSSCGKSA-N -1 0 373.475 -0.067 20 0 FBADRM CCC[C@@](C)(NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)C(=O)[O-] ZINC000736953978 600659979 /nfs/dbraw/zinc/65/99/79/600659979.db2.gz FVJFZYDMHKYHGJ-CYBMUJFWSA-N -1 0 360.392 -0.849 20 0 FBADRM CCC[C@](C)(NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)C(=O)[O-] ZINC000736953979 600659999 /nfs/dbraw/zinc/65/99/99/600659999.db2.gz FVJFZYDMHKYHGJ-ZDUSSCGKSA-N -1 0 360.392 -0.849 20 0 FBADRM CCC[C@@](C)(NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC000736954518 599738839 /nfs/dbraw/zinc/73/88/39/599738839.db2.gz LXRYMBPEFVUBOU-CXAGYDPISA-N -1 0 355.435 -0.073 20 0 FBADRM CCC[C@](C)(NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC000736954519 599738752 /nfs/dbraw/zinc/73/87/52/599738752.db2.gz LXRYMBPEFVUBOU-DYVFJYSZSA-N -1 0 355.435 -0.073 20 0 FBADRM CCC[C@](C)(NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC000736954522 599738794 /nfs/dbraw/zinc/73/87/94/599738794.db2.gz LXRYMBPEFVUBOU-GUYCJALGSA-N -1 0 355.435 -0.073 20 0 FBADRM CCC[C@@](C)(NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC000736954523 599738743 /nfs/dbraw/zinc/73/87/43/599738743.db2.gz LXRYMBPEFVUBOU-SUMWQHHRSA-N -1 0 355.435 -0.073 20 0 FBADRM CCC[C@](C)(NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000736958862 599981234 /nfs/dbraw/zinc/98/12/34/599981234.db2.gz LINKTLHEQDLBKZ-AWEZNQCLSA-N -1 0 370.387 -0.044 20 0 FBADRM CCC[C@@](C)(NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000736958863 599981357 /nfs/dbraw/zinc/98/13/57/599981357.db2.gz LINKTLHEQDLBKZ-CQSZACIVSA-N -1 0 370.387 -0.044 20 0 FBADRM CCC[C@@](C)(NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)C(=O)[O-] ZINC000736959116 600659829 /nfs/dbraw/zinc/65/98/29/600659829.db2.gz CBURHUZTLQURFY-CYBMUJFWSA-N -1 0 361.376 -0.584 20 0 FBADRM CCC[C@](C)(NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)C(=O)[O-] ZINC000736959117 600659932 /nfs/dbraw/zinc/65/99/32/600659932.db2.gz CBURHUZTLQURFY-ZDUSSCGKSA-N -1 0 361.376 -0.584 20 0 FBADRM COC[C@@](C)(O)CNC(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 ZINC000736967205 660425108 /nfs/dbraw/zinc/42/51/08/660425108.db2.gz HMCCBRWBRMXQNO-AWEZNQCLSA-N -1 0 350.383 -0.630 20 0 FBADRM COC[C@](C)(O)CNC(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 ZINC000736967206 660424984 /nfs/dbraw/zinc/42/49/84/660424984.db2.gz HMCCBRWBRMXQNO-CQSZACIVSA-N -1 0 350.383 -0.630 20 0 FBADRM COC[C@@](C)(O)CNC(=O)NCCNc1ncccc1-c1nn[nH]n1 ZINC000736968289 660425143 /nfs/dbraw/zinc/42/51/43/660425143.db2.gz QKAYNCMQLVXTOR-AWEZNQCLSA-N -1 0 350.383 -0.630 20 0 FBADRM COC[C@](C)(O)CNC(=O)NCCNc1ncccc1-c1nn[nH]n1 ZINC000736968290 660425128 /nfs/dbraw/zinc/42/51/28/660425128.db2.gz QKAYNCMQLVXTOR-CQSZACIVSA-N -1 0 350.383 -0.630 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)COc1ccccc1-c1nn[nH]n1 ZINC000736970204 598858529 /nfs/dbraw/zinc/85/85/29/598858529.db2.gz PBCRPALRTJKWSO-SECBINFHSA-N -1 0 355.376 -0.274 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)COc1ccccc1-c1nn[nH]n1 ZINC000736970208 598858568 /nfs/dbraw/zinc/85/85/68/598858568.db2.gz PBCRPALRTJKWSO-VIFPVBQESA-N -1 0 355.376 -0.274 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736972108 598858591 /nfs/dbraw/zinc/85/85/91/598858591.db2.gz WJHKGOGCBVCNLS-SECBINFHSA-N -1 0 355.376 -0.274 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736972109 598858696 /nfs/dbraw/zinc/85/86/96/598858696.db2.gz WJHKGOGCBVCNLS-VIFPVBQESA-N -1 0 355.376 -0.274 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC000736972823 598858809 /nfs/dbraw/zinc/85/88/09/598858809.db2.gz YFUDOHCJWGEHKI-SECBINFHSA-N -1 0 355.376 -0.274 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC000736972826 598858638 /nfs/dbraw/zinc/85/86/38/598858638.db2.gz YFUDOHCJWGEHKI-VIFPVBQESA-N -1 0 355.376 -0.274 20 0 FBADRM CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000736974982 600518228 /nfs/dbraw/zinc/51/82/28/600518228.db2.gz YBSMPDJJBFUIPF-GFCCVEGCSA-N -1 0 351.359 -0.283 20 0 FBADRM CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000736974987 600518133 /nfs/dbraw/zinc/51/81/33/600518133.db2.gz YBSMPDJJBFUIPF-LBPRGKRZSA-N -1 0 351.359 -0.283 20 0 FBADRM CCCCN(C(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000736991015 600312476 /nfs/dbraw/zinc/31/24/76/600312476.db2.gz CDXMHCDMBZGXKX-UPJWGTAASA-N -1 0 362.448 -0.678 20 0 FBADRM CCCCN(C(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000736991016 600312705 /nfs/dbraw/zinc/31/27/05/600312705.db2.gz CDXMHCDMBZGXKX-XQQFMLRXSA-N -1 0 362.448 -0.678 20 0 FBADRM CCCCN(C(=O)CN1CCO[C@@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000736991045 599974041 /nfs/dbraw/zinc/97/40/41/599974041.db2.gz DWSUNEZMZJQURO-CHWSQXEVSA-N -1 0 362.448 -0.412 20 0 FBADRM CCCCN(C(=O)CN1CCO[C@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000736991046 599974006 /nfs/dbraw/zinc/97/40/06/599974006.db2.gz DWSUNEZMZJQURO-OLZOCXBDSA-N -1 0 362.448 -0.412 20 0 FBADRM CCCCN(C(=O)CN1CCO[C@@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000736991047 599974310 /nfs/dbraw/zinc/97/43/10/599974310.db2.gz DWSUNEZMZJQURO-QWHCGFSZSA-N -1 0 362.448 -0.412 20 0 FBADRM CCCCN(C(=O)CN1CCO[C@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000736991048 599974233 /nfs/dbraw/zinc/97/42/33/599974233.db2.gz DWSUNEZMZJQURO-STQMWFEESA-N -1 0 362.448 -0.412 20 0 FBADRM CCCCNC(=O)NC(=O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000736998521 600032132 /nfs/dbraw/zinc/03/21/32/600032132.db2.gz KHAWOYNQXVNSNY-UHFFFAOYSA-N -1 0 350.335 -0.697 20 0 FBADRM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000737000334 600180776 /nfs/dbraw/zinc/18/07/76/600180776.db2.gz ZDNQEQWXFYQEGP-SECBINFHSA-N -1 0 359.408 -0.035 20 0 FBADRM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000737000335 600180529 /nfs/dbraw/zinc/18/05/29/600180529.db2.gz ZDNQEQWXFYQEGP-VIFPVBQESA-N -1 0 359.408 -0.035 20 0 FBADRM CCCCn1c2nc(Cn3nc(C(=O)[O-])ccc3=O)n(C)c2c(=O)[nH]c1=O ZINC000737002795 600517740 /nfs/dbraw/zinc/51/77/40/600517740.db2.gz AQHXJHYRYKATCX-UHFFFAOYSA-N -1 0 374.357 -0.061 20 0 FBADRM CCCCn1c(N)c(N(CC)C(=O)CN(C)CC(=O)[O-])c(=O)[nH]c1=O ZINC000737004217 600068711 /nfs/dbraw/zinc/06/87/11/600068711.db2.gz OOZFPIKZQSVJNB-UHFFFAOYSA-N -1 0 355.395 -0.300 20 0 FBADRM CCCCn1c2nc(CN3C[C@H](O)C[C@H]3C(=O)[O-])n(C)c2c(=O)[nH]c1=O ZINC000737004521 600141682 /nfs/dbraw/zinc/14/16/82/600141682.db2.gz RQYCFLOPSODPMO-ZJUUUORDSA-N -1 0 365.390 -0.345 20 0 FBADRM CCCCn1c(N)c(N(C)CCC(=O)N(C)CC(=O)[O-])c(=O)[nH]c1=O ZINC000737004556 600158966 /nfs/dbraw/zinc/15/89/66/600158966.db2.gz SUGPCGVLIPPKHD-UHFFFAOYSA-N -1 0 355.395 -0.300 20 0 FBADRM CCCCn1c2nc(CN3CCO[C@H](C(=O)[O-])C3)n(C)c2c(=O)[nH]c1=O ZINC000737004577 599974205 /nfs/dbraw/zinc/97/42/05/599974205.db2.gz UGXRAQFEKHEIQC-JTQLQIEISA-N -1 0 365.390 -0.079 20 0 FBADRM CCCCn1c2nc(CN3CCO[C@@H](C(=O)[O-])C3)n(C)c2c(=O)[nH]c1=O ZINC000737004580 599974118 /nfs/dbraw/zinc/97/41/18/599974118.db2.gz UGXRAQFEKHEIQC-SNVBAGLBSA-N -1 0 365.390 -0.079 20 0 FBADRM CCCN(C(=O)[C@H](C)N1CCO[C@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000737008339 599970077 /nfs/dbraw/zinc/97/00/77/599970077.db2.gz GUMFZZWLTCKFKV-AVGNSLFASA-N -1 0 362.448 -0.414 20 0 FBADRM CCCN(C(=O)[C@H](C)N1CCO[C@@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000737008340 599970046 /nfs/dbraw/zinc/97/00/46/599970046.db2.gz GUMFZZWLTCKFKV-RWMBFGLXSA-N -1 0 362.448 -0.414 20 0 FBADRM CCCN(C(=O)[C@H](C)N1CCO[C@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000737008341 599969926 /nfs/dbraw/zinc/96/99/26/599969926.db2.gz GUMFZZWLTCKFKV-XQQFMLRXSA-N -1 0 362.448 -0.414 20 0 FBADRM CCCN(C(=O)[C@H](C)N1CCO[C@@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000737008342 599969828 /nfs/dbraw/zinc/96/98/28/599969828.db2.gz GUMFZZWLTCKFKV-YNEHKIRRSA-N -1 0 362.448 -0.414 20 0 FBADRM CCCN(CC(=O)[O-])C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000737011254 599992544 /nfs/dbraw/zinc/99/25/44/599992544.db2.gz ZGSZXBIOZJXTJX-JTQLQIEISA-N -1 0 359.404 -0.525 20 0 FBADRM CCCN(CC(=O)[O-])C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000737011258 599992538 /nfs/dbraw/zinc/99/25/38/599992538.db2.gz ZGSZXBIOZJXTJX-SNVBAGLBSA-N -1 0 359.404 -0.525 20 0 FBADRM CCCN(CC(=O)[O-])C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000737012050 600023552 /nfs/dbraw/zinc/02/35/52/600023552.db2.gz JWRXFQAEDXJFHE-UHFFFAOYSA-N -1 0 371.371 -0.435 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000737012957 598740139 /nfs/dbraw/zinc/74/01/39/598740139.db2.gz CAHFVTZDWOIJSX-SECBINFHSA-N -1 0 355.376 -0.274 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000737012958 598740216 /nfs/dbraw/zinc/74/02/16/598740216.db2.gz CAHFVTZDWOIJSX-VIFPVBQESA-N -1 0 355.376 -0.274 20 0 FBADRM CCCN(CC(=O)[O-])CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000737013248 600740174 /nfs/dbraw/zinc/74/01/74/600740174.db2.gz NHYGOUYPUIMAAG-CYBMUJFWSA-N -1 0 361.464 -0.886 20 0 FBADRM CCCN(CC(=O)[O-])CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000737013249 600739825 /nfs/dbraw/zinc/73/98/25/600739825.db2.gz NHYGOUYPUIMAAG-ZDUSSCGKSA-N -1 0 361.464 -0.886 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1 ZINC000737013479 598740102 /nfs/dbraw/zinc/74/01/02/598740102.db2.gz IUYNPTOSYNOEAN-SECBINFHSA-N -1 0 355.376 -0.274 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1 ZINC000737013481 598740023 /nfs/dbraw/zinc/74/00/23/598740023.db2.gz IUYNPTOSYNOEAN-VIFPVBQESA-N -1 0 355.376 -0.274 20 0 FBADRM COc1cc(-c2nn[nH]n2)ccc1OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000737023158 598424411 /nfs/dbraw/zinc/42/44/11/598424411.db2.gz CNRFFUWHGYYHDT-UHFFFAOYSA-N -1 0 368.313 -0.135 20 0 FBADRM CCCNC(=O)CN1CCC(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000737024881 600035761 /nfs/dbraw/zinc/03/57/61/600035761.db2.gz MSBRTBZEYPWLFP-CYBMUJFWSA-N -1 0 356.423 -0.528 20 0 FBADRM CCCNC(=O)CN1CCC(NC(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000737024882 600035831 /nfs/dbraw/zinc/03/58/31/600035831.db2.gz MSBRTBZEYPWLFP-ZDUSSCGKSA-N -1 0 356.423 -0.528 20 0 FBADRM CCCNC(=O)CN1C(C(=O)[O-])=NC2=NS(=O)(=O)c3ccccc3N21 ZINC000737025265 600116581 /nfs/dbraw/zinc/11/65/81/600116581.db2.gz RLMBZPKDYPQQBP-UHFFFAOYSA-N -1 0 365.371 -0.209 20 0 FBADRM COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)NCc1nnn[n-]1 ZINC000737032124 598626363 /nfs/dbraw/zinc/62/63/63/598626363.db2.gz DIYFYHBDHNKBIB-UHFFFAOYSA-N -1 0 359.350 -0.136 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000737034744 600533764 /nfs/dbraw/zinc/53/37/64/600533764.db2.gz CZBPNOHZGOCSMK-SECBINFHSA-N -1 0 359.408 -0.035 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000737034745 600533681 /nfs/dbraw/zinc/53/36/81/600533681.db2.gz CZBPNOHZGOCSMK-VIFPVBQESA-N -1 0 359.408 -0.035 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000737035167 597415246 /nfs/dbraw/zinc/41/52/46/597415246.db2.gz HYWVGQUBUKHRHN-GFCCVEGCSA-N -1 0 363.436 -0.314 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000737035170 597415227 /nfs/dbraw/zinc/41/52/27/597415227.db2.gz HYWVGQUBUKHRHN-LBPRGKRZSA-N -1 0 363.436 -0.314 20 0 FBADRM CCCc1c(C(=O)N2CCN(S(N)(=O)=O)CC2)[nH]c(C)c1C(=O)[O-] ZINC000737041903 600249822 /nfs/dbraw/zinc/24/98/22/600249822.db2.gz RRHCOLDBVNZTKF-UHFFFAOYSA-N -1 0 358.420 -0.065 20 0 FBADRM COc1cc(CCNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)ccc1O ZINC000737045167 598943035 /nfs/dbraw/zinc/94/30/35/598943035.db2.gz FUEGMGXOEXTDAT-UHFFFAOYSA-N -1 0 373.373 -0.367 20 0 FBADRM CCCC1N=NC(=S)N1CC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000737046557 600264621 /nfs/dbraw/zinc/26/46/21/600264621.db2.gz GLWJZZVQGFNUJH-UHFFFAOYSA-N -1 0 371.463 -0.235 20 0 FBADRM CCN(C(=O)[C@@H](C)OC(=O)CCNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000737049286 600204244 /nfs/dbraw/zinc/20/42/44/600204244.db2.gz DYNHVSOJHOUBEP-NXEZZACHSA-N -1 0 350.393 -0.389 20 0 FBADRM CCN(C(=O)[C@H](C)OC(=O)CCNC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000737049287 600204241 /nfs/dbraw/zinc/20/42/41/600204241.db2.gz DYNHVSOJHOUBEP-UWVGGRQHSA-N -1 0 350.393 -0.389 20 0 FBADRM CCN(C(=O)[C@H](C)OC(=O)CCNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000737049289 600204144 /nfs/dbraw/zinc/20/41/44/600204144.db2.gz DYNHVSOJHOUBEP-VHSXEESVSA-N -1 0 350.393 -0.389 20 0 FBADRM CCN(C(=O)[C@@H](C)OC(=O)CCNC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000737049290 600204276 /nfs/dbraw/zinc/20/42/76/600204276.db2.gz DYNHVSOJHOUBEP-ZJUUUORDSA-N -1 0 350.393 -0.389 20 0 FBADRM CCCn1c(N)c(N(CCOC)C(=O)CCNC(=O)[O-])c(=O)[nH]c1=O ZINC000737051622 599709476 /nfs/dbraw/zinc/70/94/76/599709476.db2.gz XODGHBGSVKWMJJ-UHFFFAOYSA-N -1 0 357.367 -0.422 20 0 FBADRM CCN(C(=O)COC(=O)CCCNC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000737059614 600196540 /nfs/dbraw/zinc/19/65/40/600196540.db2.gz APHNUEHKAMGBNF-JTQLQIEISA-N -1 0 350.393 -0.387 20 0 FBADRM CCN(C(=O)COC(=O)CCCNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000737059617 600196508 /nfs/dbraw/zinc/19/65/08/600196508.db2.gz APHNUEHKAMGBNF-SNVBAGLBSA-N -1 0 350.393 -0.387 20 0 FBADRM CCN(C(=O)COC(=O)[C@H](NC(=O)[O-])C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000737059754 600210073 /nfs/dbraw/zinc/21/00/73/600210073.db2.gz BMAWNKSNFUWCRL-CMPLNLGQSA-N -1 0 364.420 -0.143 20 0 FBADRM CCN(C(=O)COC(=O)[C@@H](NC(=O)[O-])C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000737059758 604381139 /nfs/dbraw/zinc/38/11/39/604381139.db2.gz BMAWNKSNFUWCRL-JQWIXIFHSA-N -1 0 364.420 -0.143 20 0 FBADRM CCN(C(=O)COC(=O)[C@@H](NC(=O)[O-])C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000737059762 604381451 /nfs/dbraw/zinc/38/14/51/604381451.db2.gz BMAWNKSNFUWCRL-PWSUYJOCSA-N -1 0 364.420 -0.143 20 0 FBADRM CCN(C(=O)COC(=O)[C@H](NC(=O)[O-])C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000737059765 600210092 /nfs/dbraw/zinc/21/00/92/600210092.db2.gz BMAWNKSNFUWCRL-ZYHUDNBSSA-N -1 0 364.420 -0.143 20 0 FBADRM CCN(C(=O)CS(=O)(=O)C[C@@H](C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000737060236 600194806 /nfs/dbraw/zinc/19/48/06/600194806.db2.gz HWYMXUVLOQLBAV-NXEZZACHSA-N -1 0 355.434 -0.843 20 0 FBADRM CCN(C(=O)CS(=O)(=O)C[C@H](C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000737060239 600194663 /nfs/dbraw/zinc/19/46/63/600194663.db2.gz HWYMXUVLOQLBAV-UWVGGRQHSA-N -1 0 355.434 -0.843 20 0 FBADRM CCN(C(=O)CS(=O)(=O)C[C@H](C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000737060241 600194768 /nfs/dbraw/zinc/19/47/68/600194768.db2.gz HWYMXUVLOQLBAV-VHSXEESVSA-N -1 0 355.434 -0.843 20 0 FBADRM CCN(C(=O)CS(=O)(=O)C[C@@H](C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000737060243 600194636 /nfs/dbraw/zinc/19/46/36/600194636.db2.gz HWYMXUVLOQLBAV-ZJUUUORDSA-N -1 0 355.434 -0.843 20 0 FBADRM CCN(C(=O)COC(=O)C(C)(C)NC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000737060622 599865466 /nfs/dbraw/zinc/86/54/66/599865466.db2.gz OZKUYGLZCCFSJF-SECBINFHSA-N -1 0 350.393 -0.389 20 0 FBADRM CCN(C(=O)COC(=O)C(C)(C)NC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000737060623 599865484 /nfs/dbraw/zinc/86/54/84/599865484.db2.gz OZKUYGLZCCFSJF-VIFPVBQESA-N -1 0 350.393 -0.389 20 0 FBADRM CCN(C(=O)COC(=O)CCCN(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000737060665 599875098 /nfs/dbraw/zinc/87/50/98/599875098.db2.gz QURWGOAVUDDNPD-LLVKDONJSA-N -1 0 364.420 -0.045 20 0 FBADRM CCN(C(=O)COC(=O)CCCN(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000737060666 599874966 /nfs/dbraw/zinc/87/49/66/599874966.db2.gz QURWGOAVUDDNPD-NSHDSACASA-N -1 0 364.420 -0.045 20 0 FBADRM CCN(C(=O)CS(=O)(=O)[C@H](C)CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000737060841 600191135 /nfs/dbraw/zinc/19/11/35/600191135.db2.gz WVZYSPRZBBNWDP-NXEZZACHSA-N -1 0 355.434 -0.700 20 0 FBADRM CCN(C(=O)CS(=O)(=O)[C@@H](C)CC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000737060842 600191071 /nfs/dbraw/zinc/19/10/71/600191071.db2.gz WVZYSPRZBBNWDP-UWVGGRQHSA-N -1 0 355.434 -0.700 20 0 FBADRM CCN(C(=O)CS(=O)(=O)[C@@H](C)CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000737060843 600190996 /nfs/dbraw/zinc/19/09/96/600190996.db2.gz WVZYSPRZBBNWDP-VHSXEESVSA-N -1 0 355.434 -0.700 20 0 FBADRM CCN(C(=O)CS(=O)(=O)[C@H](C)CC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000737060844 600191100 /nfs/dbraw/zinc/19/11/00/600191100.db2.gz WVZYSPRZBBNWDP-ZJUUUORDSA-N -1 0 355.434 -0.700 20 0 FBADRM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000737062536 600543667 /nfs/dbraw/zinc/54/36/67/600543667.db2.gz QYVTVUFKGNUUBI-SSDOTTSWSA-N -1 0 353.422 -0.140 20 0 FBADRM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000737062538 600543798 /nfs/dbraw/zinc/54/37/98/600543798.db2.gz QYVTVUFKGNUUBI-ZETCQYMHSA-N -1 0 353.422 -0.140 20 0 FBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CCCN(C)C(=O)[O-] ZINC000737066718 599729606 /nfs/dbraw/zinc/72/96/06/599729606.db2.gz DQPYJTIMLPIWDU-LLVKDONJSA-N -1 0 363.436 -0.472 20 0 FBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CCCN(C)C(=O)[O-] ZINC000737066720 599729731 /nfs/dbraw/zinc/72/97/31/599729731.db2.gz DQPYJTIMLPIWDU-NSHDSACASA-N -1 0 363.436 -0.472 20 0 FBADRM CCN(CC(=O)NC)S(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC ZINC000737066999 599854534 /nfs/dbraw/zinc/85/45/34/599854534.db2.gz FJCCEKGESNTANQ-UHFFFAOYSA-N -1 0 364.401 -0.011 20 0 FBADRM CCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000737067666 600341876 /nfs/dbraw/zinc/34/18/76/600341876.db2.gz NNQQHANXLHEIAR-MRVPVSSYSA-N -1 0 362.433 -0.042 20 0 FBADRM CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000737067668 600341716 /nfs/dbraw/zinc/34/17/16/600341716.db2.gz NNQQHANXLHEIAR-QMMMGPOBSA-N -1 0 362.433 -0.042 20 0 FBADRM CCN(CC(=O)NC)S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-] ZINC000737067740 599854479 /nfs/dbraw/zinc/85/44/79/599854479.db2.gz MPZKCOVZIUWKTE-UHFFFAOYSA-N -1 0 364.401 -0.011 20 0 FBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@H](NC(=O)[O-])C(C)C ZINC000737067795 599808049 /nfs/dbraw/zinc/80/80/49/599808049.db2.gz NLGKYEZGPHWDLB-CMPLNLGQSA-N -1 0 363.436 -0.570 20 0 FBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000737067798 602371336 /nfs/dbraw/zinc/37/13/36/602371336.db2.gz NLGKYEZGPHWDLB-JQWIXIFHSA-N -1 0 363.436 -0.570 20 0 FBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000737067802 602371301 /nfs/dbraw/zinc/37/13/01/602371301.db2.gz NLGKYEZGPHWDLB-PWSUYJOCSA-N -1 0 363.436 -0.570 20 0 FBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H](NC(=O)[O-])C(C)C ZINC000737067805 599808086 /nfs/dbraw/zinc/80/80/86/599808086.db2.gz NLGKYEZGPHWDLB-ZYHUDNBSSA-N -1 0 363.436 -0.570 20 0 FBADRM CCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000737068228 599856061 /nfs/dbraw/zinc/85/60/61/599856061.db2.gz VBSOVOYTZJESFW-LLVKDONJSA-N -1 0 365.477 -0.119 20 0 FBADRM CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000737068230 599856022 /nfs/dbraw/zinc/85/60/22/599856022.db2.gz VBSOVOYTZJESFW-NSHDSACASA-N -1 0 365.477 -0.119 20 0 FBADRM CCN(C)C(=O)CN1C(C(=O)[O-])=NC2=NS(=O)(=O)c3ccccc3N21 ZINC000737068376 600116717 /nfs/dbraw/zinc/11/67/17/600116717.db2.gz YAFOCGLCQSSULS-UHFFFAOYSA-N -1 0 365.371 -0.257 20 0 FBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CCSCC(=O)[O-] ZINC000737069129 599744067 /nfs/dbraw/zinc/74/40/67/599744067.db2.gz YUKAJLYUSHDNAO-JTQLQIEISA-N -1 0 366.461 -0.654 20 0 FBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CCSCC(=O)[O-] ZINC000737069131 599744015 /nfs/dbraw/zinc/74/40/15/599744015.db2.gz YUKAJLYUSHDNAO-SNVBAGLBSA-N -1 0 366.461 -0.654 20 0 FBADRM CCN(CC(=O)NCc1cccs1)C(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000737069564 600230724 /nfs/dbraw/zinc/23/07/24/600230724.db2.gz JYIHVPJRPQLGFE-YPMHNXCESA-N -1 0 369.443 -0.267 20 0 FBADRM CCN(CC(=O)NCc1cccs1)C(=O)CN1CCO[C@@H](C(=O)[O-])C1 ZINC000737069737 599975227 /nfs/dbraw/zinc/97/52/27/599975227.db2.gz QIRSPTDYEMEZEU-CYBMUJFWSA-N -1 0 369.443 -0.002 20 0 FBADRM CCN(CC(=O)NCc1cccs1)C(=O)CN1CCO[C@H](C(=O)[O-])C1 ZINC000737069738 599975301 /nfs/dbraw/zinc/97/53/01/599975301.db2.gz QIRSPTDYEMEZEU-ZDUSSCGKSA-N -1 0 369.443 -0.002 20 0 FBADRM CCN(CC(=O)[O-])C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000737070187 600025642 /nfs/dbraw/zinc/02/56/42/600025642.db2.gz LKPCFANMLVKARQ-UHFFFAOYSA-N -1 0 357.344 -0.825 20 0 FBADRM CCN(CC(=O)[O-])C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000737070404 600008819 /nfs/dbraw/zinc/00/88/19/600008819.db2.gz VVWYXFQWPHFJNC-UHFFFAOYSA-N -1 0 372.179 -0.174 20 0 FBADRM CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000737075999 600981401 /nfs/dbraw/zinc/98/14/01/600981401.db2.gz KQMBOQHFVSMFIJ-UHFFFAOYSA-N -1 0 351.344 -0.356 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(Cn2nc(C(=O)[O-])ccc2=O)CC1 ZINC000737087887 600555604 /nfs/dbraw/zinc/55/56/04/600555604.db2.gz JUOXMVHCRUEUAT-UHFFFAOYSA-N -1 0 373.435 -0.897 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000737087908 600401464 /nfs/dbraw/zinc/40/14/64/600401464.db2.gz KEWCHKXHXBKWNJ-UHFFFAOYSA-N -1 0 371.481 -0.615 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)CCCNC(=O)[O-])CC1 ZINC000737088603 599713652 /nfs/dbraw/zinc/71/36/52/599713652.db2.gz PHQOGDSTGKAFEU-UHFFFAOYSA-N -1 0 350.441 -0.235 20 0 FBADRM CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](CO)C(=O)[O-])ccc1OC ZINC000737088755 599745248 /nfs/dbraw/zinc/74/52/48/599745248.db2.gz RBDNQHDVZDIFLB-LLVKDONJSA-N -1 0 374.415 -0.099 20 0 FBADRM CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](CO)C(=O)[O-])ccc1OC ZINC000737088760 599745370 /nfs/dbraw/zinc/74/53/70/599745370.db2.gz RBDNQHDVZDIFLB-NSHDSACASA-N -1 0 374.415 -0.099 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)CCSCC(=O)[O-])CC1 ZINC000737088857 599755235 /nfs/dbraw/zinc/75/52/35/599755235.db2.gz SNHSLJFAARAIJE-UHFFFAOYSA-N -1 0 367.493 -0.075 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(CCC(=O)N(C)CC(=O)[O-])CC1 ZINC000737088944 600159028 /nfs/dbraw/zinc/15/90/28/600159028.db2.gz UZAOEPFXXSLCGK-UHFFFAOYSA-N -1 0 364.468 -0.876 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000737089034 600152009 /nfs/dbraw/zinc/15/20/09/600152009.db2.gz VSQHEWTYNZTOJV-UHFFFAOYSA-N -1 0 350.441 -0.237 20 0 FBADRM CCN(C[C@H]1CN(CC(=O)NCCC(=O)[O-])CCO1)c1cccnn1 ZINC000737092998 601104272 /nfs/dbraw/zinc/10/42/72/601104272.db2.gz AGKBDQOZQXRJSN-CYBMUJFWSA-N -1 0 351.407 -0.405 20 0 FBADRM CCN(C[C@@H]1CN(CC(=O)NCCC(=O)[O-])CCO1)c1cccnn1 ZINC000737092999 601103951 /nfs/dbraw/zinc/10/39/51/601103951.db2.gz AGKBDQOZQXRJSN-ZDUSSCGKSA-N -1 0 351.407 -0.405 20 0 FBADRM CCN(C[C@@H]1CN(CCC(=O)N(C)CC(=O)[O-])CCO1)c1cccnn1 ZINC000737093726 601104278 /nfs/dbraw/zinc/10/42/78/601104278.db2.gz IVYOBIIDAWXIDK-AWEZNQCLSA-N -1 0 365.434 -0.063 20 0 FBADRM CCN(C[C@H]1CN(CCC(=O)N(C)CC(=O)[O-])CCO1)c1cccnn1 ZINC000737093729 601104068 /nfs/dbraw/zinc/10/40/68/601104068.db2.gz IVYOBIIDAWXIDK-CQSZACIVSA-N -1 0 365.434 -0.063 20 0 FBADRM CCN(C[C@H]1CN(CCC(=O)NCC(=O)[O-])CCO1)c1cccnn1 ZINC000737093732 601104317 /nfs/dbraw/zinc/10/43/17/601104317.db2.gz IZQUXBOYWGQVOB-CYBMUJFWSA-N -1 0 351.407 -0.405 20 0 FBADRM CCN(C[C@@H]1CN(CCC(=O)NCC(=O)[O-])CCO1)c1cccnn1 ZINC000737093735 601104264 /nfs/dbraw/zinc/10/42/64/601104264.db2.gz IZQUXBOYWGQVOB-ZDUSSCGKSA-N -1 0 351.407 -0.405 20 0 FBADRM CCN(C[C@@H]1CN([C@H](C)C(=O)NCC(=O)[O-])CCO1)c1cccnn1 ZINC000737094503 601103888 /nfs/dbraw/zinc/10/38/88/601103888.db2.gz RQWDMDNKGRBXBK-CHWSQXEVSA-N -1 0 351.407 -0.407 20 0 FBADRM CCN(C[C@H]1CN([C@H](C)C(=O)NCC(=O)[O-])CCO1)c1cccnn1 ZINC000737094505 601104300 /nfs/dbraw/zinc/10/43/00/601104300.db2.gz RQWDMDNKGRBXBK-OLZOCXBDSA-N -1 0 351.407 -0.407 20 0 FBADRM CCN(C[C@@H]1CN([C@@H](C)C(=O)NCC(=O)[O-])CCO1)c1cccnn1 ZINC000737094507 601103803 /nfs/dbraw/zinc/10/38/03/601103803.db2.gz RQWDMDNKGRBXBK-QWHCGFSZSA-N -1 0 351.407 -0.407 20 0 FBADRM CCN(C[C@H]1CN([C@@H](C)C(=O)NCC(=O)[O-])CCO1)c1cccnn1 ZINC000737094509 601103885 /nfs/dbraw/zinc/10/38/85/601103885.db2.gz RQWDMDNKGRBXBK-STQMWFEESA-N -1 0 351.407 -0.407 20 0 FBADRM CCN(CCC(=O)[O-])S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000737101212 599982267 /nfs/dbraw/zinc/98/22/67/599982267.db2.gz YKLFKLIJTADMRW-UHFFFAOYSA-N -1 0 356.360 -0.481 20 0 FBADRM CCN1CCN(CC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)C(=O)C1=O ZINC000737114413 599988848 /nfs/dbraw/zinc/98/88/48/599988848.db2.gz DOYQMVCRIOHJNV-CYBMUJFWSA-N -1 0 369.324 -0.103 20 0 FBADRM CCN1CCN(CC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)C(=O)C1=O ZINC000737114416 599988665 /nfs/dbraw/zinc/98/86/65/599988665.db2.gz DOYQMVCRIOHJNV-ZDUSSCGKSA-N -1 0 369.324 -0.103 20 0 FBADRM CCN1CCN(CC(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)C(=O)C1=O ZINC000737114443 600164295 /nfs/dbraw/zinc/16/42/95/600164295.db2.gz AILARSKUJKSVHL-AWEZNQCLSA-N -1 0 361.398 -0.030 20 0 FBADRM CCN1CCN(CC(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)C(=O)C1=O ZINC000737114447 600164294 /nfs/dbraw/zinc/16/42/94/600164294.db2.gz AILARSKUJKSVHL-CQSZACIVSA-N -1 0 361.398 -0.030 20 0 FBADRM CCN1CCN(CC(=O)N[C@H](C(=O)[O-])c2ccc(OC)cc2)C(=O)C1=O ZINC000737114753 599761027 /nfs/dbraw/zinc/76/10/27/599761027.db2.gz FQFDOTFKAGADPK-AWEZNQCLSA-N -1 0 363.370 -0.372 20 0 FBADRM CCN1CCN(CC(=O)N[C@@H](C(=O)[O-])c2ccc(OC)cc2)C(=O)C1=O ZINC000737114755 599761032 /nfs/dbraw/zinc/76/10/32/599761032.db2.gz FQFDOTFKAGADPK-CQSZACIVSA-N -1 0 363.370 -0.372 20 0 FBADRM CCN1CCN(C(=O)CC2CCN(CC(=O)NCC(=O)[O-])CC2)CC1 ZINC000737114786 599954187 /nfs/dbraw/zinc/95/41/87/599954187.db2.gz GGJLLVBZKHTLLN-UHFFFAOYSA-N -1 0 354.451 -0.547 20 0 FBADRM CCN1CCN(CC(=O)Nc2nnc(CCCC(=O)[O-])s2)C(=O)C1=O ZINC000737115007 600553789 /nfs/dbraw/zinc/55/37/89/600553789.db2.gz FFCOEQZRDNNMDN-UHFFFAOYSA-N -1 0 369.403 -0.425 20 0 FBADRM CCN1CCN(CC(=O)NCCOc2ccc(C(=O)[O-])cc2)C(=O)C1=O ZINC000737115045 599920909 /nfs/dbraw/zinc/92/09/09/599920909.db2.gz GYMNPQKIJRKDQA-UHFFFAOYSA-N -1 0 363.370 -0.430 20 0 FBADRM CCN1CCN(CC(=O)N(C)c2nc(CC(=O)[O-])cs2)C(=O)C1=O ZINC000737116119 600494964 /nfs/dbraw/zinc/49/49/64/600494964.db2.gz UPRYDVADDLPZOA-UHFFFAOYSA-N -1 0 354.388 -0.576 20 0 FBADRM CCN1CCN(CC(=O)NCc2cccc(OCC(=O)[O-])c2)C(=O)C1=O ZINC000737116197 600619524 /nfs/dbraw/zinc/61/95/24/600619524.db2.gz OPRPHPXSBKNCQH-UHFFFAOYSA-N -1 0 363.370 -0.543 20 0 FBADRM CCN1CCN(CC(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)C(=O)C1=O ZINC000737116449 600170661 /nfs/dbraw/zinc/17/06/61/600170661.db2.gz WRJXFMIBTUACLT-CYBMUJFWSA-N -1 0 361.354 -0.444 20 0 FBADRM CCN1CCN(CC(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)C(=O)C1=O ZINC000737116452 600170544 /nfs/dbraw/zinc/17/05/44/600170544.db2.gz WRJXFMIBTUACLT-ZDUSSCGKSA-N -1 0 361.354 -0.444 20 0 FBADRM CCN1CCN(CC(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)C(=O)C1=O ZINC000737116489 600500164 /nfs/dbraw/zinc/50/01/64/600500164.db2.gz XFIWNXFAXHCOQA-GFCCVEGCSA-N -1 0 355.391 -0.841 20 0 FBADRM CCN1CCN(CC(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)C(=O)C1=O ZINC000737116491 600499955 /nfs/dbraw/zinc/49/99/55/600499955.db2.gz XFIWNXFAXHCOQA-LBPRGKRZSA-N -1 0 355.391 -0.841 20 0 FBADRM CCN1CCN(CC(=O)OCc2cn3cccc(C(=O)[O-])c3n2)C(=O)C1=O ZINC000737116902 599987435 /nfs/dbraw/zinc/98/74/35/599987435.db2.gz RRKSIXVFTZLDJR-UHFFFAOYSA-N -1 0 374.353 -0.234 20 0 FBADRM CCN1CCN(CC(=O)OCC(=O)c2cc(C(=O)[O-])co2)C(=O)C1=O ZINC000737117538 600140940 /nfs/dbraw/zinc/14/09/40/600140940.db2.gz WTRSQXSFQYXUBX-UHFFFAOYSA-N -1 0 352.299 -0.606 20 0 FBADRM CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000737121366 599770903 /nfs/dbraw/zinc/77/09/03/599770903.db2.gz IQOJOKXAUQDYSA-UHFFFAOYSA-N -1 0 359.404 -0.190 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC000737121791 600072217 /nfs/dbraw/zinc/07/22/17/600072217.db2.gz ADMVFTBAVNIBLU-UHFFFAOYSA-N -1 0 359.404 -0.178 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000737121873 600098119 /nfs/dbraw/zinc/09/81/19/600098119.db2.gz BVGTWGZYXZPAPH-UHFFFAOYSA-N -1 0 357.388 -0.313 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000737121909 600098215 /nfs/dbraw/zinc/09/82/15/600098215.db2.gz CPQCTJRPAYUYHG-UHFFFAOYSA-N -1 0 357.388 -0.692 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737121911 600098304 /nfs/dbraw/zinc/09/83/04/600098304.db2.gz CSBSHULMCNUNNX-UHFFFAOYSA-N -1 0 371.415 -0.302 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000737121968 600098337 /nfs/dbraw/zinc/09/83/37/600098337.db2.gz FOMUIPBFOZNTGZ-UHFFFAOYSA-N -1 0 357.388 -0.313 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000737121970 600098490 /nfs/dbraw/zinc/09/84/90/600098490.db2.gz FUHLIIXPVLNFQF-UHFFFAOYSA-N -1 0 361.351 -0.482 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737122279 600323382 /nfs/dbraw/zinc/32/33/82/600323382.db2.gz GEVBUYLOUBLSSV-UHFFFAOYSA-N -1 0 361.351 -0.482 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000737122318 603415765 /nfs/dbraw/zinc/41/57/65/603415765.db2.gz IRTHPUMSTMREQC-UHFFFAOYSA-N -1 0 358.376 -0.230 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000737122323 600098487 /nfs/dbraw/zinc/09/84/87/600098487.db2.gz IZFVVNSNPZPXHY-UHFFFAOYSA-N -1 0 358.376 -0.230 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000737122326 600098439 /nfs/dbraw/zinc/09/84/39/600098439.db2.gz JEUKAVLDSRCILO-UHFFFAOYSA-N -1 0 373.387 -0.856 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000737122340 600098114 /nfs/dbraw/zinc/09/81/14/600098114.db2.gz JYWLEAWHGXFELW-UHFFFAOYSA-N -1 0 373.387 -0.856 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000737122745 600098074 /nfs/dbraw/zinc/09/80/74/600098074.db2.gz MJUSKWFZYBHFGN-UHFFFAOYSA-N -1 0 372.403 -0.205 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737122746 600323161 /nfs/dbraw/zinc/32/31/61/600323161.db2.gz MMRZDYGVSXIBAQ-UHFFFAOYSA-N -1 0 361.351 -0.482 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737122804 600371155 /nfs/dbraw/zinc/37/11/55/600371155.db2.gz QGVSPRFZQNEJFC-UHFFFAOYSA-N -1 0 372.403 -0.552 20 0 FBADRM CCNS(=O)(=O)c1ccc(C(=O)N(CC(=O)[O-])CC(=O)OC)cc1 ZINC000737122809 599753905 /nfs/dbraw/zinc/75/39/05/599753905.db2.gz QWCSZJYOWVLFCS-UHFFFAOYSA-N -1 0 358.372 -0.315 20 0 FBADRM CCNC(=O)c1cccc(NC(=O)CN2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC000737122825 600042219 /nfs/dbraw/zinc/04/22/19/600042219.db2.gz RXWGJVBAPGDLRZ-CYBMUJFWSA-N -1 0 362.386 -0.350 20 0 FBADRM CCNC(=O)c1cccc(NC(=O)CN2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC000737122826 600042060 /nfs/dbraw/zinc/04/20/60/600042060.db2.gz RXWGJVBAPGDLRZ-ZDUSSCGKSA-N -1 0 362.386 -0.350 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000737123311 600098300 /nfs/dbraw/zinc/09/83/00/600098300.db2.gz ZJYDYWDXNPJONZ-UHFFFAOYSA-N -1 0 357.388 -0.313 20 0 FBADRM CCN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC000737123343 600244521 /nfs/dbraw/zinc/24/45/21/600244521.db2.gz SVOKAPAXANLXFX-AWEZNQCLSA-N -1 0 365.386 -0.075 20 0 FBADRM CCN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC000737123344 600244770 /nfs/dbraw/zinc/24/47/70/600244770.db2.gz SVOKAPAXANLXFX-CQSZACIVSA-N -1 0 365.386 -0.075 20 0 FBADRM CCN1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)C1 ZINC000737123648 600244748 /nfs/dbraw/zinc/24/47/48/600244748.db2.gz ZKMKDWFBBPIHRA-AWEZNQCLSA-N -1 0 365.386 -0.075 20 0 FBADRM CCN1CCO[C@H](CNC(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)C1 ZINC000737123649 600244553 /nfs/dbraw/zinc/24/45/53/600244553.db2.gz ZKMKDWFBBPIHRA-CQSZACIVSA-N -1 0 365.386 -0.075 20 0 FBADRM CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000737123887 600055724 /nfs/dbraw/zinc/05/57/24/600055724.db2.gz KZRMROCCHONBKN-CYBMUJFWSA-N -1 0 363.370 -0.005 20 0 FBADRM CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000737123888 600055552 /nfs/dbraw/zinc/05/55/52/600055552.db2.gz KZRMROCCHONBKN-ZDUSSCGKSA-N -1 0 363.370 -0.005 20 0 FBADRM CCNC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000737123971 600052543 /nfs/dbraw/zinc/05/25/43/600052543.db2.gz PITQYMFLLQUSBQ-CYBMUJFWSA-N -1 0 363.370 -0.005 20 0 FBADRM CCNC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c(C)c1 ZINC000737123972 600052531 /nfs/dbraw/zinc/05/25/31/600052531.db2.gz PITQYMFLLQUSBQ-ZDUSSCGKSA-N -1 0 363.370 -0.005 20 0 FBADRM CCNC(=O)CN1C(C(=O)[O-])=NC2=NS(=O)(=O)c3ccccc3N21 ZINC000737124306 600115707 /nfs/dbraw/zinc/11/57/07/600115707.db2.gz LEXLWMPVBQFYHS-UHFFFAOYSA-N -1 0 351.344 -0.599 20 0 FBADRM CCNC(=O)CN(C)S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-] ZINC000737124354 599854665 /nfs/dbraw/zinc/85/46/65/599854665.db2.gz OVPHOQJURUXASJ-UHFFFAOYSA-N -1 0 364.401 -0.011 20 0 FBADRM CCNC(=O)CN(C)S(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC ZINC000737124643 599854524 /nfs/dbraw/zinc/85/45/24/599854524.db2.gz WMQOHLCLGNGDJY-UHFFFAOYSA-N -1 0 364.401 -0.011 20 0 FBADRM COc1cccc([C@H](O)CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)c1 ZINC000737128494 598678397 /nfs/dbraw/zinc/67/83/97/598678397.db2.gz OFRBRXYZIJIOLN-LLVKDONJSA-N -1 0 373.373 -0.582 20 0 FBADRM COc1cccc([C@@H](O)CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)c1 ZINC000737128507 598678141 /nfs/dbraw/zinc/67/81/41/598678141.db2.gz OFRBRXYZIJIOLN-NSHDSACASA-N -1 0 373.373 -0.582 20 0 FBADRM CCNS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1 ZINC000737128782 600533645 /nfs/dbraw/zinc/53/36/45/600533645.db2.gz AHRHNTMOSONLIR-UHFFFAOYSA-N -1 0 353.360 -0.018 20 0 FBADRM CCNS(=O)(=O)c1ccc2c(c1)N(CC(=O)NCCC(=O)[O-])CC2 ZINC000737128888 600973481 /nfs/dbraw/zinc/97/34/81/600973481.db2.gz DFQNTJYENSQEGF-UHFFFAOYSA-N -1 0 355.416 -0.062 20 0 FBADRM CCNS(=O)(=O)c1cccc(C(=O)N(CC(=O)[O-])CC(=O)OC)c1 ZINC000737129314 599753951 /nfs/dbraw/zinc/75/39/51/599753951.db2.gz IYKXJRVKUVLKLN-UHFFFAOYSA-N -1 0 358.372 -0.315 20 0 FBADRM CCOC(=O)C(=O)N1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1 ZINC000737129321 600185208 /nfs/dbraw/zinc/18/52/08/600185208.db2.gz JGKNRHXAVHHQQO-UHFFFAOYSA-N -1 0 364.354 -0.003 20 0 FBADRM CCOC(=O)C(=O)N1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000737129928 600184913 /nfs/dbraw/zinc/18/49/13/600184913.db2.gz RVLIUEDAXLNSAU-UHFFFAOYSA-N -1 0 364.354 -0.003 20 0 FBADRM CCNS(=O)(=O)c1ccc(C)c(C(=O)N(CC(=O)[O-])CC(=O)OC)c1 ZINC000737130295 600171376 /nfs/dbraw/zinc/17/13/76/600171376.db2.gz WYPDONVOJLYRRS-UHFFFAOYSA-N -1 0 372.399 -0.007 20 0 FBADRM CCNS(=O)(=O)c1cccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c1 ZINC000737130393 600532816 /nfs/dbraw/zinc/53/28/16/600532816.db2.gz ZVPFXCJFWPOOTO-UHFFFAOYSA-N -1 0 353.360 -0.018 20 0 FBADRM CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000737133731 599984028 /nfs/dbraw/zinc/98/40/28/599984028.db2.gz JAKUYNHTJTWGIL-NEPJUHHUSA-N -1 0 355.391 -0.794 20 0 FBADRM CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000737133732 599984236 /nfs/dbraw/zinc/98/42/36/599984236.db2.gz JAKUYNHTJTWGIL-NWDGAFQWSA-N -1 0 355.391 -0.794 20 0 FBADRM CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000737133733 599984097 /nfs/dbraw/zinc/98/40/97/599984097.db2.gz JAKUYNHTJTWGIL-RYUDHWBXSA-N -1 0 355.391 -0.794 20 0 FBADRM CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000737133734 599984239 /nfs/dbraw/zinc/98/42/39/599984239.db2.gz JAKUYNHTJTWGIL-VXGBXAGGSA-N -1 0 355.391 -0.794 20 0 FBADRM CCOC(=O)[C@@H]1CN(CC(=O)Nc2nc(CC(=O)[O-])cs2)CCO1 ZINC000737134498 600794200 /nfs/dbraw/zinc/79/42/00/600794200.db2.gz DBKMXFMDJOLIAU-JTQLQIEISA-N -1 0 357.388 -0.027 20 0 FBADRM CCOC(=O)[C@H]1CN(CC(=O)Nc2nc(CC(=O)[O-])cs2)CCO1 ZINC000737134499 600794275 /nfs/dbraw/zinc/79/42/75/600794275.db2.gz DBKMXFMDJOLIAU-SNVBAGLBSA-N -1 0 357.388 -0.027 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCNC(=O)[C@@H]2CC(=O)[O-])C1 ZINC000737135899 599983287 /nfs/dbraw/zinc/98/32/87/599983287.db2.gz ZAHUPIWWYRZRNN-NEPJUHHUSA-N -1 0 355.391 -0.937 20 0 FBADRM CCOC(=O)[C@H]1CCCN(C(=O)CN2CCNC(=O)[C@H]2CC(=O)[O-])C1 ZINC000737135903 599983314 /nfs/dbraw/zinc/98/33/14/599983314.db2.gz ZAHUPIWWYRZRNN-NWDGAFQWSA-N -1 0 355.391 -0.937 20 0 FBADRM CCOC(=O)[C@H]1CCCN(C(=O)CN2CCNC(=O)[C@@H]2CC(=O)[O-])C1 ZINC000737135905 599983103 /nfs/dbraw/zinc/98/31/03/599983103.db2.gz ZAHUPIWWYRZRNN-RYUDHWBXSA-N -1 0 355.391 -0.937 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCNC(=O)[C@H]2CC(=O)[O-])C1 ZINC000737135906 599983344 /nfs/dbraw/zinc/98/33/44/599983344.db2.gz ZAHUPIWWYRZRNN-VXGBXAGGSA-N -1 0 355.391 -0.937 20 0 FBADRM CCOC(=O)[C@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1 ZINC000737136418 600798917 /nfs/dbraw/zinc/79/89/17/600798917.db2.gz SSZDRJCTXKUAQF-LLVKDONJSA-N -1 0 350.393 -0.708 20 0 FBADRM CCOC(=O)[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1 ZINC000737136419 600798902 /nfs/dbraw/zinc/79/89/02/600798902.db2.gz SSZDRJCTXKUAQF-NSHDSACASA-N -1 0 350.393 -0.708 20 0 FBADRM CCOC(=O)C1CCN(C(=O)CN2CCNC(=O)[C@H]2CC(=O)[O-])CC1 ZINC000737136775 599981502 /nfs/dbraw/zinc/98/15/02/599981502.db2.gz YGDPWTIYUZTYMQ-GFCCVEGCSA-N -1 0 355.391 -0.937 20 0 FBADRM CCOC(=O)C1CCN(C(=O)CN2CCNC(=O)[C@@H]2CC(=O)[O-])CC1 ZINC000737136776 599981834 /nfs/dbraw/zinc/98/18/34/599981834.db2.gz YGDPWTIYUZTYMQ-LBPRGKRZSA-N -1 0 355.391 -0.937 20 0 FBADRM CCOC(=O)CCNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000737138624 600332091 /nfs/dbraw/zinc/33/20/91/600332091.db2.gz OSODKJIDWUGJSQ-GFCCVEGCSA-N -1 0 350.327 -0.065 20 0 FBADRM CCOC(=O)CCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000737138627 600332167 /nfs/dbraw/zinc/33/21/67/600332167.db2.gz OSODKJIDWUGJSQ-LBPRGKRZSA-N -1 0 350.327 -0.065 20 0 FBADRM CCOC(=O)CN(CC(N)=O)S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000737138774 600227424 /nfs/dbraw/zinc/22/74/24/600227424.db2.gz RTGQNQJERJIYQO-UHFFFAOYSA-N -1 0 358.372 -0.435 20 0 FBADRM CCOC(=O)CN1C(C(=O)[O-])=NC2=NS(=O)(=O)c3ccccc3N21 ZINC000737142547 600985684 /nfs/dbraw/zinc/98/56/84/600985684.db2.gz GOUJDDPNZCFEMS-UHFFFAOYSA-N -1 0 352.328 -0.172 20 0 FBADRM CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000737143039 600580617 /nfs/dbraw/zinc/58/06/17/600580617.db2.gz PBVPDOPOHJVJNU-UHFFFAOYSA-N -1 0 374.371 -0.568 20 0 FBADRM CCOC(=O)Cc1csc(NC(=O)CN2CCO[C@H](C(=O)[O-])C2)n1 ZINC000737143073 599969518 /nfs/dbraw/zinc/96/95/18/599969518.db2.gz PXSXHBHNNPBALI-JTQLQIEISA-N -1 0 357.388 -0.027 20 0 FBADRM CCOC(=O)Cc1csc(NC(=O)CN2CCO[C@@H](C(=O)[O-])C2)n1 ZINC000737143075 599969252 /nfs/dbraw/zinc/96/92/52/599969252.db2.gz PXSXHBHNNPBALI-SNVBAGLBSA-N -1 0 357.388 -0.027 20 0 FBADRM CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000737143209 599936127 /nfs/dbraw/zinc/93/61/27/599936127.db2.gz RZTNCCRBMOODCD-UHFFFAOYSA-N -1 0 358.372 -0.268 20 0 FBADRM CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000737143287 600649573 /nfs/dbraw/zinc/64/95/73/600649573.db2.gz VOOFKMMSLUMEPE-UHFFFAOYSA-N -1 0 358.372 -0.647 20 0 FBADRM COc1ccccc1[C@H](CO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000737143797 599170977 /nfs/dbraw/zinc/17/09/77/599170977.db2.gz ZSTOSRRNKNLQRB-JTQLQIEISA-N -1 0 373.373 -0.582 20 0 FBADRM COc1ccccc1[C@@H](CO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000737143799 599171211 /nfs/dbraw/zinc/17/12/11/599171211.db2.gz ZSTOSRRNKNLQRB-SNVBAGLBSA-N -1 0 373.373 -0.582 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)OC)CC1 ZINC000737145235 600981298 /nfs/dbraw/zinc/98/12/98/600981298.db2.gz GVFIDLABAMCTDL-JTQLQIEISA-N -1 0 366.392 -0.457 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)OC)CC1 ZINC000737145237 600981195 /nfs/dbraw/zinc/98/11/95/600981195.db2.gz GVFIDLABAMCTDL-SNVBAGLBSA-N -1 0 366.392 -0.457 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000737146041 603239879 /nfs/dbraw/zinc/23/98/79/603239879.db2.gz LBONXIDIECUUGZ-LLVKDONJSA-N -1 0 364.424 -0.263 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000737146042 603239851 /nfs/dbraw/zinc/23/98/51/603239851.db2.gz LBONXIDIECUUGZ-NSHDSACASA-N -1 0 364.424 -0.263 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N(CCOC)CC(=O)[O-])CC1 ZINC000737146262 600651459 /nfs/dbraw/zinc/65/14/59/600651459.db2.gz MULAOLIXNQBNJA-UHFFFAOYSA-N -1 0 353.397 -0.962 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)NCCSCC(=O)[O-])CC1 ZINC000737146795 599895831 /nfs/dbraw/zinc/89/58/31/599895831.db2.gz SQVJWRYZAMVOPY-UHFFFAOYSA-N -1 0 355.438 -0.587 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N(CCOC)CCC(=O)[O-])CC1 ZINC000737146810 600651582 /nfs/dbraw/zinc/65/15/82/600651582.db2.gz SXSJIOHEIXHKJC-UHFFFAOYSA-N -1 0 367.424 -0.572 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-])CC1 ZINC000737147819 600981357 /nfs/dbraw/zinc/98/13/57/600981357.db2.gz ZLRYFTVRHSBHPG-JTQLQIEISA-N -1 0 366.392 -0.457 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)N[C@H](CC(=O)OC)C(=O)[O-])CC1 ZINC000737147820 600981280 /nfs/dbraw/zinc/98/12/80/600981280.db2.gz ZLRYFTVRHSBHPG-SNVBAGLBSA-N -1 0 366.392 -0.457 20 0 FBADRM COc1ccccc1CCN(C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000737150103 598797634 /nfs/dbraw/zinc/79/76/34/598797634.db2.gz NABMPBDKYOIATG-UHFFFAOYSA-N -1 0 371.401 -0.048 20 0 FBADRM CCOC(Cn1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])nn1)OCC ZINC000737156068 599985677 /nfs/dbraw/zinc/98/56/77/599985677.db2.gz BKEZCYOVZWQLCT-LLVKDONJSA-N -1 0 369.378 -0.908 20 0 FBADRM CCOC(Cn1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])nn1)OCC ZINC000737156069 599985698 /nfs/dbraw/zinc/98/56/98/599985698.db2.gz BKEZCYOVZWQLCT-NSHDSACASA-N -1 0 369.378 -0.908 20 0 FBADRM CCOC[C@@H](O)CN1CCN(C(=O)NC2CCN(C(=O)[O-])CC2)CC1 ZINC000737160925 603367743 /nfs/dbraw/zinc/36/77/43/603367743.db2.gz BANRLRRONYUUGX-AWEZNQCLSA-N -1 0 358.439 -0.147 20 0 FBADRM CCOC[C@H](O)CN1CCN(C(=O)NC2CCN(C(=O)[O-])CC2)CC1 ZINC000737160927 603367943 /nfs/dbraw/zinc/36/79/43/603367943.db2.gz BANRLRRONYUUGX-CQSZACIVSA-N -1 0 358.439 -0.147 20 0 FBADRM CCOC[C@@H](O)CN1CCN(CC(=O)NC2(C(=O)[O-])CCCCC2)CC1 ZINC000737161230 599972088 /nfs/dbraw/zinc/97/20/88/599972088.db2.gz DELGWSPHUULZHD-HNNXBMFYSA-N -1 0 371.478 -0.095 20 0 FBADRM CCOC[C@H](O)CN1CCN(CC(=O)NC2(C(=O)[O-])CCCCC2)CC1 ZINC000737161231 599971969 /nfs/dbraw/zinc/97/19/69/599971969.db2.gz DELGWSPHUULZHD-OAHLLOKOSA-N -1 0 371.478 -0.095 20 0 FBADRM CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737161444 598543800 /nfs/dbraw/zinc/54/38/00/598543800.db2.gz JYZZYYCXGYYPHI-UHFFFAOYSA-N -1 0 373.416 -0.504 20 0 FBADRM CCOC[C@@H](O)CN1CCN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000737162610 603376107 /nfs/dbraw/zinc/37/61/07/603376107.db2.gz TXVDRYOGPMUPHW-KBPBESRZSA-N -1 0 358.439 -0.147 20 0 FBADRM CCOC[C@@H](O)CN1CCN(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000737162612 603376040 /nfs/dbraw/zinc/37/60/40/603376040.db2.gz TXVDRYOGPMUPHW-KGLIPLIRSA-N -1 0 358.439 -0.147 20 0 FBADRM CCOC[C@H](O)CN1CCN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000737162615 603375620 /nfs/dbraw/zinc/37/56/20/603375620.db2.gz TXVDRYOGPMUPHW-UONOGXRCSA-N -1 0 358.439 -0.147 20 0 FBADRM CCOC[C@H](O)CN1CCN(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000737162618 603375959 /nfs/dbraw/zinc/37/59/59/603375959.db2.gz TXVDRYOGPMUPHW-ZIAGYGMSSA-N -1 0 358.439 -0.147 20 0 FBADRM CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737162878 598543936 /nfs/dbraw/zinc/54/39/36/598543936.db2.gz SQYWSHZOCXVYPQ-UHFFFAOYSA-N -1 0 373.416 -0.504 20 0 FBADRM COc1ncc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000737163771 598925253 /nfs/dbraw/zinc/92/52/53/598925253.db2.gz OFSDNYJKNWGLTR-UHFFFAOYSA-N -1 0 361.343 -0.216 20 0 FBADRM COc1ncc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cn1 ZINC000737163801 598924993 /nfs/dbraw/zinc/92/49/93/598924993.db2.gz PCUVZCCECLQPTA-UHFFFAOYSA-N -1 0 361.343 -0.216 20 0 FBADRM COc1nc(C)cc(C)c1CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000737163857 598458638 /nfs/dbraw/zinc/45/86/38/598458638.db2.gz QVTJXXYLMROHLN-UHFFFAOYSA-N -1 0 372.389 -0.103 20 0 FBADRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000737168595 600251421 /nfs/dbraw/zinc/25/14/21/600251421.db2.gz OCHSCIGKCCSIAE-LLVKDONJSA-N -1 0 355.391 -0.327 20 0 FBADRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000737168597 600251382 /nfs/dbraw/zinc/25/13/82/600251382.db2.gz OCHSCIGKCCSIAE-NSHDSACASA-N -1 0 355.391 -0.327 20 0 FBADRM CS(=O)(=O)Nc1ccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1 ZINC000737169496 660497804 /nfs/dbraw/zinc/49/78/04/660497804.db2.gz ZPXHYQBMUCAPKP-LLVKDONJSA-N -1 0 352.376 -0.215 20 0 FBADRM CS(=O)(=O)Nc1ccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1 ZINC000737169497 660497577 /nfs/dbraw/zinc/49/75/77/660497577.db2.gz ZPXHYQBMUCAPKP-NSHDSACASA-N -1 0 352.376 -0.215 20 0 FBADRM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)CN1CC(=O)NC1=O ZINC000737170609 600362191 /nfs/dbraw/zinc/36/21/91/600362191.db2.gz ZUGCPIZHXVFXDV-UHFFFAOYSA-N -1 0 353.331 -0.105 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)n[n-]1 ZINC000737172295 598286960 /nfs/dbraw/zinc/28/69/60/598286960.db2.gz IZCZDROHZNIAQZ-UHFFFAOYSA-N -1 0 362.375 -0.040 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)c2ccc(-c3nn[nH]n3)nc2)s1 ZINC000737172511 599024024 /nfs/dbraw/zinc/02/40/24/599024024.db2.gz BITLCFKQTGIKTA-UHFFFAOYSA-N -1 0 367.376 -0.263 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)COc2ccccc2-c2nn[nH]n2)n[n-]1 ZINC000737173929 598286739 /nfs/dbraw/zinc/28/67/39/598286739.db2.gz QSIIDZMPRXFQDR-UHFFFAOYSA-N -1 0 364.347 -0.594 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)COc2cccc(-c3nn[nH]n3)c2)n[n-]1 ZINC000737173956 598286459 /nfs/dbraw/zinc/28/64/59/598286459.db2.gz QYCLILKRKCOULR-UHFFFAOYSA-N -1 0 364.347 -0.594 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CNc2ccc(-c3nn[nH]n3)cc2)n[n-]1 ZINC000737174156 598286725 /nfs/dbraw/zinc/28/67/25/598286725.db2.gz SHYZNACLXSHBTM-UHFFFAOYSA-N -1 0 363.363 -0.561 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)c2ccc(-c3nn[nH]n3)cn2)s1 ZINC000737174402 598460604 /nfs/dbraw/zinc/46/06/04/598460604.db2.gz WDNZGJIUIPNOJN-UHFFFAOYSA-N -1 0 367.376 -0.263 20 0 FBADRM CCOc1cc(C(=O)NCCN2C(=O)CNC2=O)ccc1OCC(=O)[O-] ZINC000737185753 600633414 /nfs/dbraw/zinc/63/34/14/600633414.db2.gz KWSJKDLUTDGJLW-UHFFFAOYSA-N -1 0 365.342 -0.170 20 0 FBADRM CSc1[nH]c(=O)c(C(=O)N[C@@H](C(N)=O)C(C)C)cc1-c1nnn[n-]1 ZINC000737186709 598431598 /nfs/dbraw/zinc/43/15/98/598431598.db2.gz KZSIHRAGSVYPMO-MRVPVSSYSA-N -1 0 351.392 -0.071 20 0 FBADRM CSc1[nH]c(=O)c(C(=O)N[C@H](C(N)=O)C(C)C)cc1-c1nnn[n-]1 ZINC000737186712 598431532 /nfs/dbraw/zinc/43/15/32/598431532.db2.gz KZSIHRAGSVYPMO-QMMMGPOBSA-N -1 0 351.392 -0.071 20 0 FBADRM CCOc1cc(C(=O)N2CCN(CC(N)=O)CC2)ccc1OCC(=O)[O-] ZINC000737187112 599741456 /nfs/dbraw/zinc/74/14/56/599741456.db2.gz PIJOFWKUGPFAGE-UHFFFAOYSA-N -1 0 365.386 -0.208 20 0 FBADRM CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CN(C)CCO2)cc1-c1nnn[n-]1 ZINC000737187781 598286772 /nfs/dbraw/zinc/28/67/72/598286772.db2.gz UYCKYDDUZMJJCH-MRVPVSSYSA-N -1 0 365.419 -0.250 20 0 FBADRM CSc1[nH]c(=O)c(C(=O)NC[C@H]2CN(C)CCO2)cc1-c1nnn[n-]1 ZINC000737187782 598287036 /nfs/dbraw/zinc/28/70/36/598287036.db2.gz UYCKYDDUZMJJCH-QMMMGPOBSA-N -1 0 365.419 -0.250 20 0 FBADRM CCOc1cc(C)nc(N2CCN(CC(=O)NCCC(=O)[O-])CC2)n1 ZINC000737193466 599967332 /nfs/dbraw/zinc/96/73/32/599967332.db2.gz RNXNMSCYEWCLTP-UHFFFAOYSA-N -1 0 351.407 -0.103 20 0 FBADRM CCOc1cc(C)nc(N2CCN([C@H](C)C(=O)NCC(=O)[O-])CC2)n1 ZINC000737193909 599967369 /nfs/dbraw/zinc/96/73/69/599967369.db2.gz XHHVIOMQUVBUKS-GFCCVEGCSA-N -1 0 351.407 -0.105 20 0 FBADRM CCOc1cc(C)nc(N2CCN([C@@H](C)C(=O)NCC(=O)[O-])CC2)n1 ZINC000737193913 599966989 /nfs/dbraw/zinc/96/69/89/599966989.db2.gz XHHVIOMQUVBUKS-LBPRGKRZSA-N -1 0 351.407 -0.105 20 0 FBADRM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CCN(C)C(=O)C1 ZINC000737198535 598950742 /nfs/dbraw/zinc/95/07/42/598950742.db2.gz APBMKNBGRWVRKR-UHFFFAOYSA-N -1 0 359.390 -0.183 20 0 FBADRM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CCCNC(=O)C1 ZINC000737198652 598367529 /nfs/dbraw/zinc/36/75/29/598367529.db2.gz BYSIIMNDPWSIHB-UHFFFAOYSA-N -1 0 359.390 -0.135 20 0 FBADRM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CCNC(=O)[C@@H]1C ZINC000737199261 598505392 /nfs/dbraw/zinc/50/53/92/598505392.db2.gz GGQCTNUPXOXNQX-JTQLQIEISA-N -1 0 359.390 -0.136 20 0 FBADRM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CCNC(=O)[C@H]1C ZINC000737199267 598505273 /nfs/dbraw/zinc/50/52/73/598505273.db2.gz GGQCTNUPXOXNQX-SNVBAGLBSA-N -1 0 359.390 -0.136 20 0 FBADRM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)OCc1nnnn1C ZINC000737200331 598842806 /nfs/dbraw/zinc/84/28/06/598842806.db2.gz LJPPMFFAXHLQTR-UHFFFAOYSA-N -1 0 359.350 -0.216 20 0 FBADRM CCOc1ccc(C[C@H](CNC(=O)CN2CC(=O)NC2=O)C(=O)[O-])cc1 ZINC000737200825 600360785 /nfs/dbraw/zinc/36/07/85/600360785.db2.gz YFMNYYGAJWBJIT-GFCCVEGCSA-N -1 0 363.370 -0.003 20 0 FBADRM CCOc1ccc(C[C@@H](CNC(=O)CN2CC(=O)NC2=O)C(=O)[O-])cc1 ZINC000737200826 600360899 /nfs/dbraw/zinc/36/08/99/600360899.db2.gz YFMNYYGAJWBJIT-LBPRGKRZSA-N -1 0 363.370 -0.003 20 0 FBADRM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N[C@@H]1CCN(C)C1=O ZINC000737201811 599560057 /nfs/dbraw/zinc/56/00/57/599560057.db2.gz WNOCRAZCWLYXQA-LLVKDONJSA-N -1 0 359.390 -0.136 20 0 FBADRM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N[C@H]1CCN(C)C1=O ZINC000737201813 599560170 /nfs/dbraw/zinc/56/01/70/599560170.db2.gz WNOCRAZCWLYXQA-NSHDSACASA-N -1 0 359.390 -0.136 20 0 FBADRM CCOc1ccnc(N2CCN(Cn3nc(C(=O)[O-])ccc3=O)CC2)n1 ZINC000737217077 600559492 /nfs/dbraw/zinc/55/94/92/600559492.db2.gz ALWNUIGDPFLHCG-UHFFFAOYSA-N -1 0 360.374 -0.090 20 0 FBADRM CCS(=O)(=O)CCNC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000737219669 599789078 /nfs/dbraw/zinc/78/90/78/599789078.db2.gz BNEJWWZZHXBYKE-UHFFFAOYSA-N -1 0 371.415 -0.014 20 0 FBADRM CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000737219933 600347462 /nfs/dbraw/zinc/34/74/62/600347462.db2.gz GSWZTLZKBIRGSE-UHFFFAOYSA-N -1 0 372.399 -0.052 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)N(CC(=O)[O-])CC(=O)OC)CC1 ZINC000737220180 599750827 /nfs/dbraw/zinc/75/08/27/599750827.db2.gz IIPQICPFZYTTJB-UHFFFAOYSA-N -1 0 350.393 -0.866 20 0 FBADRM CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737220745 600347357 /nfs/dbraw/zinc/34/73/57/600347357.db2.gz NXAVRVSIGHXKDC-UHFFFAOYSA-N -1 0 357.388 -0.056 20 0 FBADRM CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000737221259 600347729 /nfs/dbraw/zinc/34/77/29/600347729.db2.gz WSDOOLIZWYVNPA-GFCCVEGCSA-N -1 0 370.383 -0.584 20 0 FBADRM CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000737221262 600347857 /nfs/dbraw/zinc/34/78/57/600347857.db2.gz WSDOOLIZWYVNPA-LBPRGKRZSA-N -1 0 370.383 -0.584 20 0 FBADRM CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000737221286 600347754 /nfs/dbraw/zinc/34/77/54/600347754.db2.gz XABLETYXMAOIFZ-UHFFFAOYSA-N -1 0 358.372 -0.361 20 0 FBADRM CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000737221401 600348039 /nfs/dbraw/zinc/34/80/39/600348039.db2.gz ZDUAPTKJLWCLPY-UHFFFAOYSA-N -1 0 358.372 -0.361 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N(CC(=O)[O-])CC(=O)OC)C1 ZINC000737222592 600010030 /nfs/dbraw/zinc/01/00/30/600010030.db2.gz DPDPWHYYZRUROK-JTQLQIEISA-N -1 0 350.393 -0.866 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N(CC(=O)[O-])CC(=O)OC)C1 ZINC000737222593 600009970 /nfs/dbraw/zinc/00/99/70/600009970.db2.gz DPDPWHYYZRUROK-SNVBAGLBSA-N -1 0 350.393 -0.866 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737222610 600303745 /nfs/dbraw/zinc/30/37/45/600303745.db2.gz FGVHCWDCGRKSSP-UHFFFAOYSA-N -1 0 361.351 -0.482 20 0 FBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCN(C(=O)[O-])CC1 ZINC000737222628 602448595 /nfs/dbraw/zinc/44/85/95/602448595.db2.gz GLWLEMGLFSDNJC-JTQLQIEISA-N -1 0 353.466 -0.130 20 0 FBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCN(C(=O)[O-])CC1 ZINC000737222629 602448934 /nfs/dbraw/zinc/44/89/34/602448934.db2.gz GLWLEMGLFSDNJC-SNVBAGLBSA-N -1 0 353.466 -0.130 20 0 FBADRM CCS(=O)(=O)N1CCC(NC(=O)NCCSCC(=O)[O-])CC1 ZINC000737222637 599901465 /nfs/dbraw/zinc/90/14/65/599901465.db2.gz GUXGOGGWCFJPHS-UHFFFAOYSA-N -1 0 353.466 -0.083 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)N(CCOC)CCC(=O)[O-])CC1 ZINC000737222802 600622153 /nfs/dbraw/zinc/62/21/53/600622153.db2.gz KXLHSJDFUPCNLE-UHFFFAOYSA-N -1 0 350.437 -0.002 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737222833 600362851 /nfs/dbraw/zinc/36/28/51/600362851.db2.gz MRYGGEDPMYEUQV-UHFFFAOYSA-N -1 0 372.403 -0.552 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000737222943 600044993 /nfs/dbraw/zinc/04/49/93/600044993.db2.gz OFBYLPFGZFJYBN-UHFFFAOYSA-N -1 0 357.388 -0.313 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N(CCOC)CCC(=O)[O-])C1 ZINC000737222973 600618456 /nfs/dbraw/zinc/61/84/56/600618456.db2.gz PLKMMNWSZSFEET-GFCCVEGCSA-N -1 0 350.437 -0.002 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N(CCOC)CCC(=O)[O-])C1 ZINC000737222974 600618444 /nfs/dbraw/zinc/61/84/44/600618444.db2.gz PLKMMNWSZSFEET-LBPRGKRZSA-N -1 0 350.437 -0.002 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCCn3nc(C(=O)[O-])nc32)C1 ZINC000737222982 599765523 /nfs/dbraw/zinc/76/55/23/599765523.db2.gz QAIWBPHALAOGNB-JTQLQIEISA-N -1 0 371.419 -0.225 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCn3nc(C(=O)[O-])nc32)C1 ZINC000737222983 599765617 /nfs/dbraw/zinc/76/56/17/599765617.db2.gz QAIWBPHALAOGNB-SNVBAGLBSA-N -1 0 371.419 -0.225 20 0 FBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000737222986 600180871 /nfs/dbraw/zinc/18/08/71/600180871.db2.gz QFHZRRCBHNUJJG-SSDOTTSWSA-N -1 0 365.437 -0.569 20 0 FBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000737222987 600180892 /nfs/dbraw/zinc/18/08/92/600180892.db2.gz QFHZRRCBHNUJJG-ZETCQYMHSA-N -1 0 365.437 -0.569 20 0 FBADRM CCS(=O)(=O)NC1CCN(C(=O)NCCSCC(=O)[O-])CC1 ZINC000737222993 599897300 /nfs/dbraw/zinc/89/73/00/599897300.db2.gz QKLKEISHZSFURW-UHFFFAOYSA-N -1 0 353.466 -0.083 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737223033 600303859 /nfs/dbraw/zinc/30/38/59/600303859.db2.gz SWDAAEGHPFAJJB-UHFFFAOYSA-N -1 0 361.351 -0.482 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000737223034 600644698 /nfs/dbraw/zinc/64/46/98/600644698.db2.gz TUNALWFPIPFYCV-UHFFFAOYSA-N -1 0 359.404 -0.112 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737223058 599878252 /nfs/dbraw/zinc/87/82/52/599878252.db2.gz UZDIPQKBXNVSJQ-UHFFFAOYSA-N -1 0 371.415 -0.302 20 0 FBADRM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1 ZINC000737226029 598949299 /nfs/dbraw/zinc/94/92/99/598949299.db2.gz YOMGBDGEPWJCKF-UHFFFAOYSA-N -1 0 362.375 -0.342 20 0 FBADRM CCS(=O)(=O)c1ccc(CC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1 ZINC000737226180 599868523 /nfs/dbraw/zinc/86/85/23/599868523.db2.gz BWDWNHTZGUGCJK-CYBMUJFWSA-N -1 0 368.411 -0.176 20 0 FBADRM CCS(=O)(=O)c1ccc(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC000737226181 599868612 /nfs/dbraw/zinc/86/86/12/599868612.db2.gz BWDWNHTZGUGCJK-ZDUSSCGKSA-N -1 0 368.411 -0.176 20 0 FBADRM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cnn(CC(N)=O)c1 ZINC000737226323 598947877 /nfs/dbraw/zinc/94/78/77/598947877.db2.gz VILAUFOHZBHJEM-UHFFFAOYSA-N -1 0 362.375 -0.342 20 0 FBADRM CCS(=O)(=O)NCc1ccc(C(=O)N[C@H](CC(=O)[O-])C(=O)OC)cc1 ZINC000737226372 600901196 /nfs/dbraw/zinc/90/11/96/600901196.db2.gz JFRULGHFRJVZJD-GFCCVEGCSA-N -1 0 372.399 -0.128 20 0 FBADRM CCS(=O)(=O)NCc1ccc(C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)cc1 ZINC000737226373 600900869 /nfs/dbraw/zinc/90/08/69/600900869.db2.gz JFRULGHFRJVZJD-LBPRGKRZSA-N -1 0 372.399 -0.128 20 0 FBADRM CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1OC ZINC000737226443 600333328 /nfs/dbraw/zinc/33/33/28/600333328.db2.gz MVNZCRLEUIVDMG-UHFFFAOYSA-N -1 0 373.387 -0.014 20 0 FBADRM CCS(=O)(=O)NCc1ccc(C(=O)N[C@H](CC(=O)OC)C(=O)[O-])cc1 ZINC000737226749 600901141 /nfs/dbraw/zinc/90/11/41/600901141.db2.gz QLQOOSVPHWFBCE-GFCCVEGCSA-N -1 0 372.399 -0.128 20 0 FBADRM CCS(=O)(=O)NCc1ccc(C(=O)N[C@@H](CC(=O)OC)C(=O)[O-])cc1 ZINC000737226750 600901213 /nfs/dbraw/zinc/90/12/13/600901213.db2.gz QLQOOSVPHWFBCE-LBPRGKRZSA-N -1 0 372.399 -0.128 20 0 FBADRM CCS(=O)(=O)NCc1ccc(C(=O)N(CC(=O)[O-])CC(=O)OC)cc1 ZINC000737226769 600905495 /nfs/dbraw/zinc/90/54/95/600905495.db2.gz RQSQQSBVIQWJIT-UHFFFAOYSA-N -1 0 372.399 -0.174 20 0 FBADRM CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000737227011 600051482 /nfs/dbraw/zinc/05/14/82/600051482.db2.gz DRHNMVPZAIDGBF-GFCCVEGCSA-N -1 0 370.383 -0.269 20 0 FBADRM CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000737227014 600051355 /nfs/dbraw/zinc/05/13/55/600051355.db2.gz DRHNMVPZAIDGBF-LBPRGKRZSA-N -1 0 370.383 -0.269 20 0 FBADRM CC[S@@](=O)CCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000737230970 600271076 /nfs/dbraw/zinc/27/10/76/600271076.db2.gz XIMRORMQZHKJGG-FNODVLLQSA-N -1 0 354.384 -0.250 20 0 FBADRM CC[S@](=O)CCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000737230972 600270945 /nfs/dbraw/zinc/27/09/45/600270945.db2.gz XIMRORMQZHKJGG-MCFWBGNESA-N -1 0 354.384 -0.250 20 0 FBADRM CC[S@@](=O)CCNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000737230974 600271026 /nfs/dbraw/zinc/27/10/26/600271026.db2.gz XIMRORMQZHKJGG-OIRASMEMSA-N -1 0 354.384 -0.250 20 0 FBADRM CC[S@](=O)CCNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000737230976 600271049 /nfs/dbraw/zinc/27/10/49/600271049.db2.gz XIMRORMQZHKJGG-YYUOZPCZSA-N -1 0 354.384 -0.250 20 0 FBADRM Cc1cc(C)n(C2CN(c3c(-c4nnn[n-]4)c(=O)n(C)c(=O)n3C)C2)n1 ZINC000737257709 598376141 /nfs/dbraw/zinc/37/61/41/598376141.db2.gz ULAKKVRHVPHUGO-UHFFFAOYSA-N -1 0 357.378 -0.861 20 0 FBADRM CCc1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000737266015 600309864 /nfs/dbraw/zinc/30/98/64/600309864.db2.gz FDDCULQJESYLMI-JTQLQIEISA-N -1 0 369.399 -0.232 20 0 FBADRM CCc1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000737266018 600309685 /nfs/dbraw/zinc/30/96/85/600309685.db2.gz FDDCULQJESYLMI-SNVBAGLBSA-N -1 0 369.399 -0.232 20 0 FBADRM CCc1cnc(CN(C(C)=O)[C@@H]2CCN(CC(=O)NCC(=O)[O-])C2)o1 ZINC000737274912 601115314 /nfs/dbraw/zinc/11/53/14/601115314.db2.gz OBQBOEHEQUSBRS-GFCCVEGCSA-N -1 0 352.391 -0.139 20 0 FBADRM CCc1cnc(CN(C(C)=O)[C@H]2CCN(CC(=O)NCC(=O)[O-])C2)o1 ZINC000737274914 601115178 /nfs/dbraw/zinc/11/51/78/601115178.db2.gz OBQBOEHEQUSBRS-LBPRGKRZSA-N -1 0 352.391 -0.139 20 0 FBADRM CCc1nc2n(n1)C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)CC2 ZINC000737283237 600554199 /nfs/dbraw/zinc/55/41/99/600554199.db2.gz GBIDBXTVKFUEPD-LLVKDONJSA-N -1 0 357.436 -0.214 20 0 FBADRM CCc1nc2n(n1)C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)CC2 ZINC000737283240 600554295 /nfs/dbraw/zinc/55/42/95/600554295.db2.gz GBIDBXTVKFUEPD-NSHDSACASA-N -1 0 357.436 -0.214 20 0 FBADRM CCn1c2ccc(C(=O)N(CC(=O)[O-])CC(=O)OC)cc2[nH]c(=O)c1=O ZINC000737291536 600009795 /nfs/dbraw/zinc/00/97/95/600009795.db2.gz BRYRDMASEOEDSF-UHFFFAOYSA-N -1 0 363.326 -0.591 20 0 FBADRM CCn1c(=O)[nH]c2cc(C(=O)N(CC(=O)[O-])CC(=O)OC)ccc2c1=O ZINC000737291586 599749886 /nfs/dbraw/zinc/74/98/86/599749886.db2.gz DJPMGJRBIGFGBY-UHFFFAOYSA-N -1 0 363.326 -0.178 20 0 FBADRM CCn1c(=O)c2ccccc2n(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1=O ZINC000737291619 599944963 /nfs/dbraw/zinc/94/49/63/599944963.db2.gz DYMXATWKFJRDGI-CYBMUJFWSA-N -1 0 361.354 -0.505 20 0 FBADRM CCn1c(=O)c2ccccc2n(CC(=O)N2CCO[C@H](C(=O)[O-])C2)c1=O ZINC000737291622 599945099 /nfs/dbraw/zinc/94/50/99/599945099.db2.gz DYMXATWKFJRDGI-ZDUSSCGKSA-N -1 0 361.354 -0.505 20 0 FBADRM CCn1c(=O)c2ccccc2n(CC(=O)Nc2n[nH]c(CC(=O)[O-])n2)c1=O ZINC000737291834 600184825 /nfs/dbraw/zinc/18/48/25/600184825.db2.gz HCSOJMKRCRAMIH-UHFFFAOYSA-N -1 0 372.341 -0.433 20 0 FBADRM CCn1c(=O)c2ccccc2n(CC(=O)N(CCOC)CC(=O)[O-])c1=O ZINC000737292919 600422377 /nfs/dbraw/zinc/42/23/77/600422377.db2.gz XUVVHWRRGPABOA-UHFFFAOYSA-N -1 0 363.370 -0.257 20 0 FBADRM CCn1c(N2CCOCC2)nn(CN(CC(=O)[O-])CC(=O)OC)c1=S ZINC000737295204 599953640 /nfs/dbraw/zinc/95/36/40/599953640.db2.gz FYVKKLJNNNDYNK-UHFFFAOYSA-N -1 0 373.435 -0.212 20 0 FBADRM CCn1c(N)c(C(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c(=O)[nH]c1=O ZINC000737295757 600295617 /nfs/dbraw/zinc/29/56/17/600295617.db2.gz PEPHPGINVYSUBF-SECBINFHSA-N -1 0 350.375 -0.080 20 0 FBADRM CCn1c(N)c(C(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)c(=O)[nH]c1=O ZINC000737295759 600295582 /nfs/dbraw/zinc/29/55/82/600295582.db2.gz PEPHPGINVYSUBF-VIFPVBQESA-N -1 0 350.375 -0.080 20 0 FBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc(=O)n(C)c1 ZINC000737297544 598975858 /nfs/dbraw/zinc/97/58/58/598975858.db2.gz BGADRRHMFPLWCF-UHFFFAOYSA-N -1 0 374.382 -0.007 20 0 FBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)c1cccn(C)c1=O ZINC000737297552 598975690 /nfs/dbraw/zinc/97/56/90/598975690.db2.gz BKSHFOKAQDJBNT-UHFFFAOYSA-N -1 0 374.382 -0.007 20 0 FBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)Cc1cnn(C)c1 ZINC000737298812 598976375 /nfs/dbraw/zinc/97/63/75/598976375.db2.gz LSBKHFCFFOEIDD-UHFFFAOYSA-N -1 0 361.387 -0.044 20 0 FBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1COCCO1 ZINC000737298987 598975341 /nfs/dbraw/zinc/97/53/41/598975341.db2.gz NQEIFTBISOXCKB-JTQLQIEISA-N -1 0 353.360 -0.605 20 0 FBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1COCCO1 ZINC000737298990 598975243 /nfs/dbraw/zinc/97/52/43/598975243.db2.gz NQEIFTBISOXCKB-SNVBAGLBSA-N -1 0 353.360 -0.605 20 0 FBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)Cn1ccccc1=O ZINC000737300037 598977163 /nfs/dbraw/zinc/97/71/63/598977163.db2.gz UUMMLIOFIYMVII-UHFFFAOYSA-N -1 0 374.382 -0.158 20 0 FBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)CS(C)(=O)=O ZINC000737300062 598978196 /nfs/dbraw/zinc/97/81/96/598978196.db2.gz VRLFNWHKWOBKFO-UHFFFAOYSA-N -1 0 359.389 -0.975 20 0 FBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CNC(=O)C1 ZINC000737300505 598976940 /nfs/dbraw/zinc/97/69/40/598976940.db2.gz ZPCOBIMOXPIHJN-SECBINFHSA-N -1 0 350.360 -0.884 20 0 FBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CNC(=O)C1 ZINC000737300507 598977186 /nfs/dbraw/zinc/97/71/86/598977186.db2.gz ZPCOBIMOXPIHJN-VIFPVBQESA-N -1 0 350.360 -0.884 20 0 FBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cnn(CC(N)=O)c1 ZINC000737300882 598930437 /nfs/dbraw/zinc/93/04/37/598930437.db2.gz FHPHYRPGYGIWDZ-UHFFFAOYSA-N -1 0 362.375 -0.342 20 0 FBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1 ZINC000737301751 598930795 /nfs/dbraw/zinc/93/07/95/598930795.db2.gz SAWSKZXMNCORHG-UHFFFAOYSA-N -1 0 362.375 -0.342 20 0 FBADRM CCn1nc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c(=O)c2ccccc21 ZINC000737310621 600483611 /nfs/dbraw/zinc/48/36/11/600483611.db2.gz VRZXGSPCHNCCJN-GFCCVEGCSA-N -1 0 358.354 -0.168 20 0 FBADRM CCn1nc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c(=O)c2ccccc21 ZINC000737310626 600483781 /nfs/dbraw/zinc/48/37/81/600483781.db2.gz VRZXGSPCHNCCJN-LBPRGKRZSA-N -1 0 358.354 -0.168 20 0 FBADRM CN(C(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1)[C@@H]1CCOC1 ZINC000737312122 600121862 /nfs/dbraw/zinc/12/18/62/600121862.db2.gz WUFOLRPLRQVEBJ-CYBMUJFWSA-N -1 0 363.370 -0.384 20 0 FBADRM CN(C(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1)[C@H]1CCOC1 ZINC000737312123 600121999 /nfs/dbraw/zinc/12/19/99/600121999.db2.gz WUFOLRPLRQVEBJ-ZDUSSCGKSA-N -1 0 363.370 -0.384 20 0 FBADRM CN(C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(C)(C)C(=O)[O-] ZINC000737312343 600167212 /nfs/dbraw/zinc/16/72/12/600167212.db2.gz YWLDNXUYWVMXDE-SECBINFHSA-N -1 0 359.404 -0.527 20 0 FBADRM CN(C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(C)(C)C(=O)[O-] ZINC000737312346 600167201 /nfs/dbraw/zinc/16/72/01/600167201.db2.gz YWLDNXUYWVMXDE-VIFPVBQESA-N -1 0 359.404 -0.527 20 0 FBADRM CN(C(=O)CN1CCN(CC(=O)NCC(=O)[O-])CC1)C1CCCCC1 ZINC000737322066 600005876 /nfs/dbraw/zinc/00/58/76/600005876.db2.gz KPOTWPLRAIZLFZ-UHFFFAOYSA-N -1 0 354.451 -0.404 20 0 FBADRM CN(C(=O)CNS(=O)(=O)c1cnn(C)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737322175 600195769 /nfs/dbraw/zinc/19/57/69/600195769.db2.gz MILXORLIEAVGIZ-AWEZNQCLSA-N -1 0 366.399 -0.017 20 0 FBADRM CN(C(=O)CNS(=O)(=O)c1cnn(C)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737322177 600195692 /nfs/dbraw/zinc/19/56/92/600195692.db2.gz MILXORLIEAVGIZ-CQSZACIVSA-N -1 0 366.399 -0.017 20 0 FBADRM CN(C(=O)COC(=O)CN1CCC(=O)NC1=O)c1ccccc1C(=O)[O-] ZINC000737322693 600214146 /nfs/dbraw/zinc/21/41/46/600214146.db2.gz JFXGJHDLGSUWBY-UHFFFAOYSA-N -1 0 363.326 -0.167 20 0 FBADRM CN(C(=O)CN1CCN(CC(=O)NCCC(=O)[O-])CC1)C1CCCCC1 ZINC000737323040 599978739 /nfs/dbraw/zinc/97/87/39/599978739.db2.gz UZENNHMRLRTOMX-UHFFFAOYSA-N -1 0 368.478 -0.014 20 0 FBADRM CN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(C)(C)C(=O)[O-] ZINC000737323769 599826566 /nfs/dbraw/zinc/82/65/66/599826566.db2.gz HKLWVQIETIRNHS-UHFFFAOYSA-N -1 0 351.363 -0.855 20 0 FBADRM CN(C(=O)CN1CC[C@@H](NS(C)(=O)=O)C1)c1ccccc1C(=O)[O-] ZINC000737324998 600268836 /nfs/dbraw/zinc/26/88/36/600268836.db2.gz XXYLZRDEYDHZGP-LLVKDONJSA-N -1 0 355.416 -0.029 20 0 FBADRM CN(C(=O)CN1CC[C@H](NS(C)(=O)=O)C1)c1ccccc1C(=O)[O-] ZINC000737325000 600268937 /nfs/dbraw/zinc/26/89/37/600268937.db2.gz XXYLZRDEYDHZGP-NSHDSACASA-N -1 0 355.416 -0.029 20 0 FBADRM CN(C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)C(C)(C)C(=O)[O-] ZINC000737326211 599848174 /nfs/dbraw/zinc/84/81/74/599848174.db2.gz VNZMURZOAMBCFP-UHFFFAOYSA-N -1 0 371.371 -0.437 20 0 FBADRM CN(C(=O)[O-])c1ccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000737328283 600655328 /nfs/dbraw/zinc/65/53/28/600655328.db2.gz FVZMILVEQGJEQF-UHFFFAOYSA-N -1 0 355.372 -0.004 20 0 FBADRM CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C(C)(C)C(=O)[O-] ZINC000737333155 599828519 /nfs/dbraw/zinc/82/85/19/599828519.db2.gz HXSVVANLBYALKX-UHFFFAOYSA-N -1 0 373.431 -0.019 20 0 FBADRM CN(C(C)(C)C(=O)[O-])S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000737345622 599714872 /nfs/dbraw/zinc/71/48/72/599714872.db2.gz ZXGKOFBRLOWWFO-UHFFFAOYSA-N -1 0 356.360 -0.482 20 0 FBADRM CN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000737346335 599787739 /nfs/dbraw/zinc/78/77/39/599787739.db2.gz AXMKJWOVHDJOHR-JTQLQIEISA-N -1 0 351.450 -0.509 20 0 FBADRM CN(C)C(=O)[C@H]1CSCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000737346336 599787711 /nfs/dbraw/zinc/78/77/11/599787711.db2.gz AXMKJWOVHDJOHR-SNVBAGLBSA-N -1 0 351.450 -0.509 20 0 FBADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)Cn1ccc(=O)n(C)c1=O ZINC000737347472 660529163 /nfs/dbraw/zinc/52/91/63/660529163.db2.gz HYDPCNAKTUPYTH-LLVKDONJSA-N -1 0 351.384 -0.246 20 0 FBADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)Cn1ccc(=O)n(C)c1=O ZINC000737347473 660529232 /nfs/dbraw/zinc/52/92/32/660529232.db2.gz HYDPCNAKTUPYTH-NSHDSACASA-N -1 0 351.384 -0.246 20 0 FBADRM CN(C)C(=O)N1CCC(C(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1 ZINC000737349453 600265658 /nfs/dbraw/zinc/26/56/58/600265658.db2.gz BRXXJPXAJGOKKW-UHFFFAOYSA-N -1 0 370.450 -0.375 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)nn1 ZINC000737349487 599910449 /nfs/dbraw/zinc/91/04/49/599910449.db2.gz DYDQQBTVXDMPTJ-CYBMUJFWSA-N -1 0 359.342 -0.141 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)nn1 ZINC000737349488 599910455 /nfs/dbraw/zinc/91/04/55/599910455.db2.gz DYDQQBTVXDMPTJ-ZDUSSCGKSA-N -1 0 359.342 -0.141 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)NC2CCN(C(=O)[O-])CC2)CC1 ZINC000737349707 602754441 /nfs/dbraw/zinc/75/44/41/602754441.db2.gz FUIQJOWXMGLVJU-UHFFFAOYSA-N -1 0 355.439 -0.019 20 0 FBADRM CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000737349763 600055219 /nfs/dbraw/zinc/05/52/19/600055219.db2.gz KQZGFSUUBLZYPQ-CYBMUJFWSA-N -1 0 363.370 -0.432 20 0 FBADRM CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000737349764 600054090 /nfs/dbraw/zinc/05/40/90/600054090.db2.gz KQZGFSUUBLZYPQ-ZDUSSCGKSA-N -1 0 363.370 -0.432 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)CN2Cc3ccc(C(=O)[O-])cc3C2)CC1 ZINC000737349899 600080941 /nfs/dbraw/zinc/08/09/41/600080941.db2.gz ISSMDHSNKKYDIP-UHFFFAOYSA-N -1 0 374.441 -0.067 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)COC(=O)CCCN(C)C(=O)[O-])CC1 ZINC000737350013 599872450 /nfs/dbraw/zinc/87/24/50/599872450.db2.gz LONRZUFKXUKJTA-UHFFFAOYSA-N -1 0 372.422 -0.848 20 0 FBADRM CN(C)C(=O)CN1C(C(=O)[O-])=NC2=NS(=O)(=O)c3ccccc3N21 ZINC000737350132 600115585 /nfs/dbraw/zinc/11/55/85/600115585.db2.gz MJLZXAYDWSPUPL-UHFFFAOYSA-N -1 0 351.344 -0.647 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)OCC(=O)c2cc(C(=O)[O-])co2)nn1 ZINC000737350295 600142084 /nfs/dbraw/zinc/14/20/84/600142084.db2.gz YIZJLPXTNZPWRE-UHFFFAOYSA-N -1 0 350.287 -0.303 20 0 FBADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000737350645 660529234 /nfs/dbraw/zinc/52/92/34/660529234.db2.gz CBTZVDVVJMOVGC-JTQLQIEISA-N -1 0 351.384 -0.095 20 0 FBADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000737350648 660529260 /nfs/dbraw/zinc/52/92/60/660529260.db2.gz CBTZVDVVJMOVGC-SNVBAGLBSA-N -1 0 351.384 -0.095 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)CN[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000737350788 599781492 /nfs/dbraw/zinc/78/14/92/599781492.db2.gz UCKBYLBVUCMHNS-KRWDZBQOSA-N -1 0 362.430 -0.366 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)CN[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000737350791 599781552 /nfs/dbraw/zinc/78/15/52/599781552.db2.gz UCKBYLBVUCMHNS-QGZVFWFLSA-N -1 0 362.430 -0.366 20 0 FBADRM CN(C)C(=O)CN1CCC(NS(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000737350831 600084807 /nfs/dbraw/zinc/08/48/07/600084807.db2.gz UJRGYXQSKHFHLP-UHFFFAOYSA-N -1 0 359.404 -0.191 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000737350962 603299384 /nfs/dbraw/zinc/29/93/84/603299384.db2.gz YSUFWKKWWHGCMA-CYBMUJFWSA-N -1 0 355.439 -0.019 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)N[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000737350963 603299614 /nfs/dbraw/zinc/29/96/14/603299614.db2.gz YSUFWKKWWHGCMA-ZDUSSCGKSA-N -1 0 355.439 -0.019 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)C(=O)C1=O ZINC000737353138 660529155 /nfs/dbraw/zinc/52/91/55/660529155.db2.gz NGCNXGJPMWRKCJ-GFCCVEGCSA-N -1 0 367.427 -0.116 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)C(=O)C1=O ZINC000737353139 660529246 /nfs/dbraw/zinc/52/92/46/660529246.db2.gz NGCNXGJPMWRKCJ-LBPRGKRZSA-N -1 0 367.427 -0.116 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000737370431 603265114 /nfs/dbraw/zinc/26/51/14/603265114.db2.gz KQBYGDVANYDFLQ-LLVKDONJSA-N -1 0 363.440 -0.738 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000737370433 603265093 /nfs/dbraw/zinc/26/50/93/603265093.db2.gz KQBYGDVANYDFLQ-NSHDSACASA-N -1 0 363.440 -0.738 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(Cc2noc(CCCC(=O)[O-])n2)CC1 ZINC000737370999 600288474 /nfs/dbraw/zinc/28/84/74/600288474.db2.gz VDPCDFAACOCXGC-UHFFFAOYSA-N -1 0 361.424 -0.599 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)Cn2cnc(C(=O)[O-])n2)c1 ZINC000737373422 600474458 /nfs/dbraw/zinc/47/44/58/600474458.db2.gz BOJDRTGLJZHTNC-UHFFFAOYSA-N -1 0 353.360 -0.135 20 0 FBADRM CN(C)S(=O)(=O)c1ccsc1C(=O)OCC(=O)NCC(=O)[O-] ZINC000737373512 600369401 /nfs/dbraw/zinc/36/94/01/600369401.db2.gz DPGCDJSZQACABU-UHFFFAOYSA-N -1 0 350.374 -0.644 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(OCCN2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000737373554 600140356 /nfs/dbraw/zinc/14/03/56/600140356.db2.gz GAGJLEBCRCDMKK-RISCZKNCSA-N -1 0 358.416 -0.165 20 0 FBADRM CN(C)S(=O)(=O)c1ccsc1C(=O)OCC(=O)NCCC(=O)[O-] ZINC000737373599 600369382 /nfs/dbraw/zinc/36/93/82/600369382.db2.gz GRLMLWBGUHRPOJ-UHFFFAOYSA-N -1 0 364.401 -0.254 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000737373824 597415184 /nfs/dbraw/zinc/41/51/84/597415184.db2.gz IBIPDAHBKUYSPE-GFCCVEGCSA-N -1 0 371.415 -0.068 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000737373825 597415323 /nfs/dbraw/zinc/41/53/23/597415323.db2.gz IBIPDAHBKUYSPE-LBPRGKRZSA-N -1 0 371.415 -0.068 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000737373850 600140559 /nfs/dbraw/zinc/14/05/59/600140559.db2.gz JTWZVQLGOVFHPC-YPMHNXCESA-N -1 0 371.415 -0.605 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000737373923 599976839 /nfs/dbraw/zinc/97/68/39/599976839.db2.gz NGHAPTRHVNDFBS-CYBMUJFWSA-N -1 0 371.415 -0.339 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCO[C@H](C(=O)[O-])C2)c1 ZINC000737373925 599976824 /nfs/dbraw/zinc/97/68/24/599976824.db2.gz NGHAPTRHVNDFBS-ZDUSSCGKSA-N -1 0 371.415 -0.339 20 0 FBADRM CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCCC(=O)[O-] ZINC000737374272 600334055 /nfs/dbraw/zinc/33/40/55/600334055.db2.gz NYECBNWOKHBNQV-UHFFFAOYSA-N -1 0 369.399 -0.583 20 0 FBADRM CN(C)S(=O)(=O)c1cnn(CC(=O)Nc2nc(CC(=O)[O-])cs2)c1 ZINC000737374288 600363360 /nfs/dbraw/zinc/36/33/60/600363360.db2.gz OVRUBZPJRSENNW-UHFFFAOYSA-N -1 0 373.416 -0.144 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c1 ZINC000737374327 600180675 /nfs/dbraw/zinc/18/06/75/600180675.db2.gz QVFUHTAEGGDYFN-UHFFFAOYSA-N -1 0 353.360 -0.066 20 0 FBADRM CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCCC(=O)[O-])CC2 ZINC000737374341 600631499 /nfs/dbraw/zinc/63/14/99/600631499.db2.gz SAPYAWJYGAUSHT-UHFFFAOYSA-N -1 0 355.416 -0.110 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000737374384 599769570 /nfs/dbraw/zinc/76/95/70/599769570.db2.gz UTPRBPNNKWZEBZ-UHFFFAOYSA-N -1 0 353.360 -0.135 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000737374727 599769152 /nfs/dbraw/zinc/76/91/52/599769152.db2.gz XZAAMUBGQKFWIK-UHFFFAOYSA-N -1 0 367.387 -0.457 20 0 FBADRM CN(C)c1cc2c(nn1)CCN(S(=O)(=O)N1CCC(C(=O)[O-])CC1)C2 ZINC000737374854 600725926 /nfs/dbraw/zinc/72/59/26/600725926.db2.gz WWJUBYCGRWHUKB-UHFFFAOYSA-N -1 0 369.447 -0.058 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)N[C@H](CO)C(=O)[O-])ccc1Cl ZINC000737375581 599744595 /nfs/dbraw/zinc/74/45/95/599744595.db2.gz IVTZWKCCCXCTGI-SECBINFHSA-N -1 0 350.780 -0.234 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H](CO)C(=O)[O-])ccc1Cl ZINC000737375583 599744450 /nfs/dbraw/zinc/74/44/50/599744450.db2.gz IVTZWKCCCXCTGI-VIFPVBQESA-N -1 0 350.780 -0.234 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1 ZINC000737376203 600533008 /nfs/dbraw/zinc/53/30/08/600533008.db2.gz OZZASVPOIJHENJ-UHFFFAOYSA-N -1 0 353.360 -0.066 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000737376806 597418763 /nfs/dbraw/zinc/41/87/63/597418763.db2.gz YDWDQMVNYNYQDA-CYBMUJFWSA-N -1 0 371.415 -0.068 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000737376807 597418801 /nfs/dbraw/zinc/41/88/01/597418801.db2.gz YDWDQMVNYNYQDA-ZDUSSCGKSA-N -1 0 371.415 -0.068 20 0 FBADRM CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000737383630 600333117 /nfs/dbraw/zinc/33/31/17/600333117.db2.gz HHIHNPRAWIPSNN-UHFFFAOYSA-N -1 0 369.399 -0.001 20 0 FBADRM CN(C1CCN(C(=O)NCCSCC(=O)[O-])CC1)S(C)(=O)=O ZINC000737384363 599900380 /nfs/dbraw/zinc/90/03/80/599900380.db2.gz VYHIOFNOONMGJX-UHFFFAOYSA-N -1 0 353.466 -0.130 20 0 FBADRM CN(C1CCOCC1)S(=O)(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000737385979 600584063 /nfs/dbraw/zinc/58/40/63/600584063.db2.gz IGYUFKPYXIQEEZ-UHFFFAOYSA-N -1 0 365.452 -0.939 20 0 FBADRM CN(CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C(C)(C)C(=O)[O-] ZINC000737387460 600136556 /nfs/dbraw/zinc/13/65/56/600136556.db2.gz BGDVSAXDBATESB-UHFFFAOYSA-N -1 0 356.467 -0.160 20 0 FBADRM CN(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C(C)(C)C(=O)[O-] ZINC000737387519 600308619 /nfs/dbraw/zinc/30/86/19/600308619.db2.gz CGAFBXYGSUJXLG-GFCCVEGCSA-N -1 0 361.464 -0.887 20 0 FBADRM CN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C(C)(C)C(=O)[O-] ZINC000737387521 600308808 /nfs/dbraw/zinc/30/88/08/600308808.db2.gz CGAFBXYGSUJXLG-LBPRGKRZSA-N -1 0 361.464 -0.887 20 0 FBADRM CN(CC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)C(=O)[O-] ZINC000737388910 602819135 /nfs/dbraw/zinc/81/91/35/602819135.db2.gz JICWKJJNHPMLSR-UHFFFAOYSA-N -1 0 364.406 -0.428 20 0 FBADRM CN(CC(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1)C(=O)[O-] ZINC000737389717 602571652 /nfs/dbraw/zinc/57/16/52/602571652.db2.gz QAHZZLJDFSNSAI-UHFFFAOYSA-N -1 0 359.390 -0.084 20 0 FBADRM CN(CC(=O)N1CCO[C@@H](C(=O)[O-])C1)C1=NS(=O)(=O)c2ccccc21 ZINC000737390247 599946354 /nfs/dbraw/zinc/94/63/54/599946354.db2.gz WFILABBBKLIDJF-LLVKDONJSA-N -1 0 367.383 -0.621 20 0 FBADRM CN(CC(=O)N1CCO[C@H](C(=O)[O-])C1)C1=NS(=O)(=O)c2ccccc21 ZINC000737390249 599946233 /nfs/dbraw/zinc/94/62/33/599946233.db2.gz WFILABBBKLIDJF-NSHDSACASA-N -1 0 367.383 -0.621 20 0 FBADRM CN(CC(=O)NCC(=O)[O-])CC(=O)Nc1ccc(Br)cn1 ZINC000737393015 599813592 /nfs/dbraw/zinc/81/35/92/599813592.db2.gz IQHQEGSTXYCDDE-UHFFFAOYSA-N -1 0 359.180 -0.085 20 0 FBADRM CN(CC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)C(=O)[O-] ZINC000737393078 603011243 /nfs/dbraw/zinc/01/12/43/603011243.db2.gz KCCGBVDPDFZOEY-UHFFFAOYSA-N -1 0 359.408 -0.701 20 0 FBADRM CN(CC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)C(=O)[O-] ZINC000737393203 603056037 /nfs/dbraw/zinc/05/60/37/603056037.db2.gz KGFNGAXRWVLNMB-UHFFFAOYSA-N -1 0 359.404 -0.475 20 0 FBADRM CN(CC(=O)NCc1cccc(OCC(=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000737393542 600648265 /nfs/dbraw/zinc/64/82/65/600648265.db2.gz ORNYMZFBOIQDOQ-CYBMUJFWSA-N -1 0 370.427 -0.115 20 0 FBADRM CN(CC(=O)NCc1cccc(OCC(=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000737393544 600648236 /nfs/dbraw/zinc/64/82/36/600648236.db2.gz ORNYMZFBOIQDOQ-ZDUSSCGKSA-N -1 0 370.427 -0.115 20 0 FBADRM CN(CC(=O)N[C@@H]1CCCN(C(=O)[O-])C1)S(=O)(=O)c1cccnc1 ZINC000737393844 603211298 /nfs/dbraw/zinc/21/12/98/603211298.db2.gz QWZCMNDUERUJRV-LLVKDONJSA-N -1 0 356.404 -0.039 20 0 FBADRM CN(CC(=O)N[C@H]1CCCN(C(=O)[O-])C1)S(=O)(=O)c1cccnc1 ZINC000737393845 603211454 /nfs/dbraw/zinc/21/14/54/603211454.db2.gz QWZCMNDUERUJRV-NSHDSACASA-N -1 0 356.404 -0.039 20 0 FBADRM CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(C)(C)C(=O)[O-] ZINC000737394473 600134805 /nfs/dbraw/zinc/13/48/05/600134805.db2.gz LJLLVZGIYZVHAV-UHFFFAOYSA-N -1 0 357.432 -0.212 20 0 FBADRM CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000737394521 599959587 /nfs/dbraw/zinc/95/95/87/599959587.db2.gz XAZPPRMDDLYJHP-KBPBESRZSA-N -1 0 354.428 -0.083 20 0 FBADRM CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000737394523 599959689 /nfs/dbraw/zinc/95/96/89/599959689.db2.gz XAZPPRMDDLYJHP-KGLIPLIRSA-N -1 0 354.428 -0.083 20 0 FBADRM CN(CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000737394525 599959701 /nfs/dbraw/zinc/95/97/01/599959701.db2.gz XAZPPRMDDLYJHP-UONOGXRCSA-N -1 0 354.428 -0.083 20 0 FBADRM CN(CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000737394528 599959828 /nfs/dbraw/zinc/95/98/28/599959828.db2.gz XAZPPRMDDLYJHP-ZIAGYGMSSA-N -1 0 354.428 -0.083 20 0 FBADRM CN(CC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000737394822 602197145 /nfs/dbraw/zinc/19/71/45/602197145.db2.gz NEZWXVJAWIMWHU-UHFFFAOYSA-N -1 0 350.379 -0.759 20 0 FBADRM CN(CC(=O)NCCOc1ccc(C(=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000737395512 599951306 /nfs/dbraw/zinc/95/13/06/599951306.db2.gz XRLTXJKOHKWCIW-CYBMUJFWSA-N -1 0 370.427 -0.001 20 0 FBADRM CN(CC(=O)NCCOc1ccc(C(=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000737395513 599951437 /nfs/dbraw/zinc/95/14/37/599951437.db2.gz XRLTXJKOHKWCIW-ZDUSSCGKSA-N -1 0 370.427 -0.001 20 0 FBADRM CN(CC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)C(=O)[O-] ZINC000737396937 602689916 /nfs/dbraw/zinc/68/99/16/602689916.db2.gz MGKGDPLKMNXJPQ-UHFFFAOYSA-N -1 0 371.419 -0.289 20 0 FBADRM CN(CC(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1)C(=O)C1CC1 ZINC000737397174 600570574 /nfs/dbraw/zinc/57/05/74/600570574.db2.gz ORGPEWBXVPSDTN-UHFFFAOYSA-N -1 0 369.399 -0.144 20 0 FBADRM CN(CC(=O)Nc1n[nH]c(CC(=O)[O-])n1)S(=O)(=O)c1ccccc1 ZINC000737399402 600533613 /nfs/dbraw/zinc/53/36/13/600533613.db2.gz IJPULEYWZJHXSU-UHFFFAOYSA-N -1 0 353.360 -0.309 20 0 FBADRM CN(CC(=O)Nc1cnn(CC(=O)[O-])c1)S(=O)(=O)c1cccnc1 ZINC000737399782 600526393 /nfs/dbraw/zinc/52/63/93/600526393.db2.gz NJUSIKMMWZSHNQ-UHFFFAOYSA-N -1 0 353.360 -0.378 20 0 FBADRM Cc1cccc(NCCNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)n1 ZINC000737399865 598896426 /nfs/dbraw/zinc/89/64/26/598896426.db2.gz NKWFBRPUYBLXLV-UHFFFAOYSA-N -1 0 357.378 -0.508 20 0 FBADRM CN(CC(=O)[O-])C(=O)CCN1CCc2ncnc(N3CCOCC3)c2C1 ZINC000737400827 600295122 /nfs/dbraw/zinc/29/51/22/600295122.db2.gz CXXOBWIKBRZCRP-UHFFFAOYSA-N -1 0 363.418 -0.396 20 0 FBADRM CN(CC(=O)[O-])C(=O)CCN1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000737401731 600158283 /nfs/dbraw/zinc/15/82/83/600158283.db2.gz SWYFMGIDNSTZSJ-UHFFFAOYSA-N -1 0 369.443 -0.074 20 0 FBADRM CN(CC(=O)[O-])C(=O)CCN1CCO[C@H](CN(C)c2cccnn2)C1 ZINC000737401749 601103927 /nfs/dbraw/zinc/10/39/27/601103927.db2.gz UOBSXCGDHQRGAV-CYBMUJFWSA-N -1 0 351.407 -0.453 20 0 FBADRM CN(CC(=O)[O-])C(=O)CCN1CCO[C@@H](CN(C)c2cccnn2)C1 ZINC000737401750 601104326 /nfs/dbraw/zinc/10/43/26/601104326.db2.gz UOBSXCGDHQRGAV-ZDUSSCGKSA-N -1 0 351.407 -0.453 20 0 FBADRM CN(CC(=O)[O-])C(=O)CCN(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000737402889 600313264 /nfs/dbraw/zinc/31/32/64/600313264.db2.gz PIBVOCHPAFSCFX-CHWSQXEVSA-N -1 0 362.448 -0.412 20 0 FBADRM CN(CC(=O)[O-])C(=O)CCN(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000737402890 600312942 /nfs/dbraw/zinc/31/29/42/600312942.db2.gz PIBVOCHPAFSCFX-OLZOCXBDSA-N -1 0 362.448 -0.412 20 0 FBADRM CN(CC(=O)[O-])C(=O)CCN(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000737402891 600313498 /nfs/dbraw/zinc/31/34/98/600313498.db2.gz PIBVOCHPAFSCFX-QWHCGFSZSA-N -1 0 362.448 -0.412 20 0 FBADRM CN(CC(=O)[O-])C(=O)CCN(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000737402892 600313486 /nfs/dbraw/zinc/31/34/86/600313486.db2.gz PIBVOCHPAFSCFX-STQMWFEESA-N -1 0 362.448 -0.412 20 0 FBADRM CN(CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000737403646 600069057 /nfs/dbraw/zinc/06/90/57/600069057.db2.gz BGVPNJSDFZGGIB-UHFFFAOYSA-N -1 0 373.406 -0.325 20 0 FBADRM CN(CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000737403895 600068887 /nfs/dbraw/zinc/06/88/87/600068887.db2.gz LYRYTHFUFAVTJB-UHFFFAOYSA-N -1 0 373.406 -0.325 20 0 FBADRM CN(CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000737403907 600068921 /nfs/dbraw/zinc/06/89/21/600068921.db2.gz NCXZLLCMTFZWKC-UHFFFAOYSA-N -1 0 369.443 -0.323 20 0 FBADRM CN(CC(=O)[O-])CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000737404053 599997993 /nfs/dbraw/zinc/99/79/93/599997993.db2.gz RBUGKLAYXGXSOU-UHFFFAOYSA-N -1 0 366.393 -0.075 20 0 FBADRM CN(CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000737404060 600068875 /nfs/dbraw/zinc/06/88/75/600068875.db2.gz RUCXQFQQTICLJR-UHFFFAOYSA-N -1 0 373.406 -0.325 20 0 FBADRM CN(CC(=O)[O-])CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000737404072 600068751 /nfs/dbraw/zinc/06/87/51/600068751.db2.gz SDBQEPMPLJQOJL-KRWDZBQOSA-N -1 0 362.386 -0.023 20 0 FBADRM CN(CC(=O)[O-])CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000737404074 600068869 /nfs/dbraw/zinc/06/88/69/600068869.db2.gz SDBQEPMPLJQOJL-QGZVFWFLSA-N -1 0 362.386 -0.023 20 0 FBADRM CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737405608 600216213 /nfs/dbraw/zinc/21/62/13/600216213.db2.gz GECCLZPTPQVOPE-CYBMUJFWSA-N -1 0 360.370 -0.393 20 0 FBADRM CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[C@H](C(=O)[O-])c1ccccc1 ZINC000737405610 600216230 /nfs/dbraw/zinc/21/62/30/600216230.db2.gz GECCLZPTPQVOPE-ZDUSSCGKSA-N -1 0 360.370 -0.393 20 0 FBADRM CN(CCCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C(=O)[O-] ZINC000737416830 599727838 /nfs/dbraw/zinc/72/78/38/599727838.db2.gz AJLVXUQLRHLKEH-UHFFFAOYSA-N -1 0 356.423 -0.621 20 0 FBADRM CN(CCCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C(=O)[O-] ZINC000737416953 599725645 /nfs/dbraw/zinc/72/56/45/599725645.db2.gz CVZFMPXHMQDLTN-UHFFFAOYSA-N -1 0 356.423 -0.621 20 0 FBADRM Cc1cccc2nc(CNc3c(-c4nnn[n-]4)c(=O)n(C)c(=O)n3C)cn21 ZINC000737417051 598593622 /nfs/dbraw/zinc/59/36/22/598593622.db2.gz FJOVHKBMJKNPBD-UHFFFAOYSA-N -1 0 367.373 -0.168 20 0 FBADRM CN(CCCC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000737417447 599734703 /nfs/dbraw/zinc/73/47/03/599734703.db2.gz GBWVWRYFAMWADU-UHFFFAOYSA-N -1 0 354.407 -0.330 20 0 FBADRM CN(CCCC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)C(=O)[O-] ZINC000737419245 599736644 /nfs/dbraw/zinc/73/66/44/599736644.db2.gz VYZWXBQRDJBICK-UHFFFAOYSA-N -1 0 368.390 -0.804 20 0 FBADRM Cc1ccccc1[C@H](O)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000737420161 598773640 /nfs/dbraw/zinc/77/36/40/598773640.db2.gz JCDGUNWALOQPDT-LLVKDONJSA-N -1 0 357.374 -0.282 20 0 FBADRM Cc1ccccc1[C@@H](O)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000737420162 598773365 /nfs/dbraw/zinc/77/33/65/598773365.db2.gz JCDGUNWALOQPDT-NSHDSACASA-N -1 0 357.374 -0.282 20 0 FBADRM CN(CCCC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC000737421652 603100108 /nfs/dbraw/zinc/10/01/08/603100108.db2.gz HAZCSWRNAYQGSI-CYBMUJFWSA-N -1 0 356.423 -0.574 20 0 FBADRM CN(CCCC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC000737421653 603099839 /nfs/dbraw/zinc/09/98/39/603099839.db2.gz HAZCSWRNAYQGSI-ZDUSSCGKSA-N -1 0 356.423 -0.574 20 0 FBADRM CN(CCCC(=O)N[C@H](CO)C(=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000737421722 599743486 /nfs/dbraw/zinc/74/34/86/599743486.db2.gz JLFMGZOJXBVYSV-GFCCVEGCSA-N -1 0 362.379 -0.212 20 0 FBADRM CN(CCCC(=O)N[C@@H](CO)C(=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000737421723 599743233 /nfs/dbraw/zinc/74/32/33/599743233.db2.gz JLFMGZOJXBVYSV-LBPRGKRZSA-N -1 0 362.379 -0.212 20 0 FBADRM CN(CCCC(=O)NCCS(=O)(=O)N1CCSCC1)C(=O)[O-] ZINC000737425741 602516909 /nfs/dbraw/zinc/51/69/09/602516909.db2.gz FYBDDPJIRDLTRV-UHFFFAOYSA-N -1 0 353.466 -0.129 20 0 FBADRM CN(CCCC(=O)NCc1ccc(C(=O)NCC(N)=O)cc1)C(=O)[O-] ZINC000737425921 599735183 /nfs/dbraw/zinc/73/51/83/599735183.db2.gz IZYCBRUKGGHXPB-UHFFFAOYSA-N -1 0 350.375 -0.092 20 0 FBADRM CN(CCCC(=O)NCCN1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000737426727 599739768 /nfs/dbraw/zinc/73/97/68/599739768.db2.gz WVJMOMADOISFMB-UHFFFAOYSA-N -1 0 350.441 -0.930 20 0 FBADRM CN(CCCC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)C(=O)[O-] ZINC000737426743 600209304 /nfs/dbraw/zinc/20/93/04/600209304.db2.gz XSOUXYSVPUENJZ-GFCCVEGCSA-N -1 0 365.452 -0.019 20 0 FBADRM CN(CCCC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)C(=O)[O-] ZINC000737426744 600209273 /nfs/dbraw/zinc/20/92/73/600209273.db2.gz XSOUXYSVPUENJZ-LBPRGKRZSA-N -1 0 365.452 -0.019 20 0 FBADRM CN(CCCC(=O)OCCN(C)S(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000737433925 599966230 /nfs/dbraw/zinc/96/62/30/599966230.db2.gz KIWAOJMBWUHTIN-UHFFFAOYSA-N -1 0 367.424 -0.572 20 0 FBADRM CN(CCCC(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000737435328 599874217 /nfs/dbraw/zinc/87/42/17/599874217.db2.gz VHFGENHBUYMHLK-UHFFFAOYSA-N -1 0 367.362 -0.633 20 0 FBADRM CN(CCCNC(=O)CN[C@H](C(=O)[O-])c1ccccc1)S(C)(=O)=O ZINC000737438997 599781688 /nfs/dbraw/zinc/78/16/88/599781688.db2.gz CEPARCLCOPTCQF-AWEZNQCLSA-N -1 0 357.432 -0.200 20 0 FBADRM CN(CCCNC(=O)CN[C@@H](C(=O)[O-])c1ccccc1)S(C)(=O)=O ZINC000737438999 599781473 /nfs/dbraw/zinc/78/14/73/599781473.db2.gz CEPARCLCOPTCQF-CQSZACIVSA-N -1 0 357.432 -0.200 20 0 FBADRM CN(CCCNC(=O)COc1ccc(C(=O)[O-])cc1C=O)S(C)(=O)=O ZINC000737439250 599909646 /nfs/dbraw/zinc/90/96/46/599909646.db2.gz IAAGLXIJNFHLHU-UHFFFAOYSA-N -1 0 372.399 -0.026 20 0 FBADRM CN(CCCNC(=O)CN1CCNC(=O)[C@@H]1CC(=O)[O-])c1ccccc1 ZINC000737439329 599984039 /nfs/dbraw/zinc/98/40/39/599984039.db2.gz KMURBLGXTOSJGI-HNNXBMFYSA-N -1 0 362.430 -0.096 20 0 FBADRM CN(CCCNC(=O)CN1CCNC(=O)[C@H]1CC(=O)[O-])c1ccccc1 ZINC000737439330 599984022 /nfs/dbraw/zinc/98/40/22/599984022.db2.gz KMURBLGXTOSJGI-OAHLLOKOSA-N -1 0 362.430 -0.096 20 0 FBADRM CN(CCCNC(=O)COC(=O)c1ccccc1C(=O)[O-])S(C)(=O)=O ZINC000737439528 599787764 /nfs/dbraw/zinc/78/77/64/599787764.db2.gz USDZEOABLOQFHZ-UHFFFAOYSA-N -1 0 372.399 -0.061 20 0 FBADRM CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)NCC(=O)[O-] ZINC000737440531 600471396 /nfs/dbraw/zinc/47/13/96/600471396.db2.gz BWDDTGMVSZDJLX-UHFFFAOYSA-N -1 0 358.439 -0.328 20 0 FBADRM Cc1cnn([C@@H]2CCCN(c3c(-c4nnn[n-]4)c(=O)n(C)c(=O)n3C)C2)c1 ZINC000737446133 598339485 /nfs/dbraw/zinc/33/94/85/598339485.db2.gz WMVKMFNPGCUWJN-LLVKDONJSA-N -1 0 371.405 -0.389 20 0 FBADRM Cc1cnn([C@H]2CCCN(c3c(-c4nnn[n-]4)c(=O)n(C)c(=O)n3C)C2)c1 ZINC000737446135 598339590 /nfs/dbraw/zinc/33/95/90/598339590.db2.gz WMVKMFNPGCUWJN-NSHDSACASA-N -1 0 371.405 -0.389 20 0 FBADRM Cc1cn2cc(Nc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)ccc2n1 ZINC000737446840 598933759 /nfs/dbraw/zinc/93/37/59/598933759.db2.gz VZJIXPPROTXSLG-UHFFFAOYSA-N -1 0 353.346 -0.036 20 0 FBADRM CN(CCc1ccccn1)C(=O)CNC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000737447170 600040554 /nfs/dbraw/zinc/04/05/54/600040554.db2.gz OAIOYECYTTVPSK-CYBMUJFWSA-N -1 0 350.375 -0.423 20 0 FBADRM CN(CCc1ccccn1)C(=O)CNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000737447171 600040705 /nfs/dbraw/zinc/04/07/05/600040705.db2.gz OAIOYECYTTVPSK-ZDUSSCGKSA-N -1 0 350.375 -0.423 20 0 FBADRM CN(CCn1cccn1)C(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000737447205 600418143 /nfs/dbraw/zinc/41/81/43/600418143.db2.gz PXOSEZPSWOKCON-UHFFFAOYSA-N -1 0 373.369 -0.205 20 0 FBADRM CN(CCS(C)(=O)=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000737447582 599819679 /nfs/dbraw/zinc/81/96/79/599819679.db2.gz ADVFXLKFKAWZDL-UHFFFAOYSA-N -1 0 371.415 -0.062 20 0 FBADRM CN(CCOC(=O)CCSCC(=O)[O-])S(=O)(=O)N1CCOCC1 ZINC000737448519 599966167 /nfs/dbraw/zinc/96/61/67/599966167.db2.gz BKTLEGXVGWQIAX-UHFFFAOYSA-N -1 0 370.449 -0.754 20 0 FBADRM CN(CCOC(=O)CCCNC(=O)[O-])S(=O)(=O)N1CCOCC1 ZINC000737448961 602684296 /nfs/dbraw/zinc/68/42/96/602684296.db2.gz KJWNPGYNEGIMFI-UHFFFAOYSA-N -1 0 353.397 -0.914 20 0 FBADRM CN(CCS(C)(=O)=O)C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000737449328 599823259 /nfs/dbraw/zinc/82/32/59/599823259.db2.gz RKYDPMHDIAHWMG-UHFFFAOYSA-N -1 0 358.372 -0.409 20 0 FBADRM CN(CCS(C)(=O)=O)C(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000737449345 599823275 /nfs/dbraw/zinc/82/32/75/599823275.db2.gz SMGXZTPIXRXVNC-GFCCVEGCSA-N -1 0 370.383 -0.632 20 0 FBADRM CN(CCS(C)(=O)=O)C(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000737449347 599823145 /nfs/dbraw/zinc/82/31/45/599823145.db2.gz SMGXZTPIXRXVNC-LBPRGKRZSA-N -1 0 370.383 -0.632 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)CCCNC(=O)[O-] ZINC000737449471 600419452 /nfs/dbraw/zinc/41/94/52/600419452.db2.gz NGIJVQGBCYRMPS-UHFFFAOYSA-N -1 0 373.431 -0.037 20 0 FBADRM CN(CCS(C)(=O)=O)C(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000737450007 599823225 /nfs/dbraw/zinc/82/32/25/599823225.db2.gz WGEJUSKJNQMNCQ-UHFFFAOYSA-N -1 0 358.372 -0.409 20 0 FBADRM CN(CCS(C)(=O)=O)C(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000737450021 599823251 /nfs/dbraw/zinc/82/32/51/599823251.db2.gz XDTOZKOGUJHVAP-UHFFFAOYSA-N -1 0 372.399 -0.018 20 0 FBADRM CN(CCS(C)(=O)=O)C(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737450054 600370134 /nfs/dbraw/zinc/37/01/34/600370134.db2.gz YEIJMMFHIIJCPJ-UHFFFAOYSA-N -1 0 357.388 -0.104 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000737450217 599882822 /nfs/dbraw/zinc/88/28/22/599882822.db2.gz XQLLGPNSLIFUJC-GFCCVEGCSA-N -1 0 356.400 -0.154 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000737450218 599882792 /nfs/dbraw/zinc/88/27/92/599882792.db2.gz XQLLGPNSLIFUJC-LBPRGKRZSA-N -1 0 356.400 -0.154 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000737450219 600419632 /nfs/dbraw/zinc/41/96/32/600419632.db2.gz XSEZTVHHFKYCAN-NEPJUHHUSA-N -1 0 356.400 -0.364 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000737450220 600419663 /nfs/dbraw/zinc/41/96/63/600419663.db2.gz XSEZTVHHFKYCAN-NWDGAFQWSA-N -1 0 356.400 -0.364 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000737450221 600419449 /nfs/dbraw/zinc/41/94/49/600419449.db2.gz XSEZTVHHFKYCAN-RYUDHWBXSA-N -1 0 356.400 -0.364 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000737450222 600419505 /nfs/dbraw/zinc/41/95/05/600419505.db2.gz XSEZTVHHFKYCAN-VXGBXAGGSA-N -1 0 356.400 -0.364 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)CCNC(=O)[O-] ZINC000737450324 603056016 /nfs/dbraw/zinc/05/60/16/603056016.db2.gz ZXHULDMDGNWMML-UHFFFAOYSA-N -1 0 359.404 -0.427 20 0 FBADRM Cc1nc(C)c(CCNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)s1 ZINC000737473161 598503824 /nfs/dbraw/zinc/50/38/24/598503824.db2.gz FZYGNNJXBLOVSY-UHFFFAOYSA-N -1 0 362.419 -0.008 20 0 FBADRM CN(Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1)C(=O)[O-] ZINC000737475952 600368736 /nfs/dbraw/zinc/36/87/36/600368736.db2.gz DEUMBPYCWZRQGZ-GFCCVEGCSA-N -1 0 364.358 -0.552 20 0 FBADRM CN(Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1)C(=O)[O-] ZINC000737475953 600369020 /nfs/dbraw/zinc/36/90/20/600369020.db2.gz DEUMBPYCWZRQGZ-LBPRGKRZSA-N -1 0 364.358 -0.552 20 0 FBADRM CN(Cc1ccc(NC(=O)C(=O)NCCNS(C)(=O)=O)cc1)C(=O)[O-] ZINC000737476582 600361819 /nfs/dbraw/zinc/36/18/19/600361819.db2.gz CDVMUBGEOAIMAC-UHFFFAOYSA-N -1 0 372.403 -0.600 20 0 FBADRM CN(Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)cc1)C(=O)[O-] ZINC000737477353 600655162 /nfs/dbraw/zinc/65/51/62/600655162.db2.gz QVGBPODCMDSMKC-UHFFFAOYSA-N -1 0 369.399 -0.008 20 0 FBADRM CN(Cc1ccc(NC(=O)C(=O)NCCCS(N)(=O)=O)cc1)C(=O)[O-] ZINC000737478647 600338938 /nfs/dbraw/zinc/33/89/38/600338938.db2.gz OKVOFQFWTYLWEA-UHFFFAOYSA-N -1 0 372.403 -0.470 20 0 FBADRM CN(Cc1ccc(NC(=O)C(=O)NCCS(C)(=O)=O)cc1)C(=O)[O-] ZINC000737478673 600332272 /nfs/dbraw/zinc/33/22/72/600332272.db2.gz PMLDHWSGOBVZJQ-UHFFFAOYSA-N -1 0 357.388 -0.104 20 0 FBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)n1ncc(-c2nn[nH]n2)c1N ZINC000737487323 598259460 /nfs/dbraw/zinc/25/94/60/598259460.db2.gz HRXUWRQBGIRWMI-UHFFFAOYSA-N -1 0 354.334 -0.107 20 0 FBADRM Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)NCc1nnn[n-]1 ZINC000737487354 598626161 /nfs/dbraw/zinc/62/61/61/598626161.db2.gz HYCSIQAWQKBMEX-UHFFFAOYSA-N -1 0 368.365 -0.712 20 0 FBADRM CN(Cc1cnn(C)c1)C(=O)CN(CCN1CCOCC1)CC(=O)[O-] ZINC000737496361 600145445 /nfs/dbraw/zinc/14/54/45/600145445.db2.gz FZRUCWRURDFFOE-UHFFFAOYSA-N -1 0 353.423 -0.903 20 0 FBADRM Cc1ncc2c(n1)CCC[C@H]2Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000737497368 599170987 /nfs/dbraw/zinc/17/09/87/599170987.db2.gz AVVVVCXHHQEMSE-LLVKDONJSA-N -1 0 369.389 -0.148 20 0 FBADRM Cc1ncc2c(n1)CCC[C@@H]2Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000737497369 599170631 /nfs/dbraw/zinc/17/06/31/599170631.db2.gz AVVVVCXHHQEMSE-NSHDSACASA-N -1 0 369.389 -0.148 20 0 FBADRM Cc1nccn1[C@@H]1CCCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000737499821 598339990 /nfs/dbraw/zinc/33/99/90/598339990.db2.gz LDQZYZNIYKWUBU-LLVKDONJSA-N -1 0 371.405 -0.389 20 0 FBADRM Cc1nccn1[C@H]1CCCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000737499823 598339907 /nfs/dbraw/zinc/33/99/07/598339907.db2.gz LDQZYZNIYKWUBU-NSHDSACASA-N -1 0 371.405 -0.389 20 0 FBADRM CN1C(=O)c2ccc(NC(=O)C(=O)NCCSCC(=O)[O-])cc2C1=O ZINC000737505092 599909868 /nfs/dbraw/zinc/90/98/68/599909868.db2.gz DHUHAUXEACDQCL-UHFFFAOYSA-N -1 0 365.367 -0.215 20 0 FBADRM CN1C(=O)N(CC(=O)Nc2n[nH]c(CC(=O)[O-])n2)C(=O)C12CCCCC2 ZINC000737505318 600180668 /nfs/dbraw/zinc/18/06/68/600180668.db2.gz IIEDKFLXJZUXHI-UHFFFAOYSA-N -1 0 364.362 -0.033 20 0 FBADRM CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1COC(=O)[C@@H]1CNC(=O)N1 ZINC000737505363 600369308 /nfs/dbraw/zinc/36/93/08/600369308.db2.gz KTCLYHCUPRLBRH-GWCFXTLKSA-N -1 0 374.353 -0.054 20 0 FBADRM CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1COC(=O)[C@@H]1CNC(=O)N1 ZINC000737505364 600369444 /nfs/dbraw/zinc/36/94/44/600369444.db2.gz KTCLYHCUPRLBRH-GXFFZTMASA-N -1 0 374.353 -0.054 20 0 FBADRM CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1COC(=O)[C@H]1CNC(=O)N1 ZINC000737505365 600369290 /nfs/dbraw/zinc/36/92/90/600369290.db2.gz KTCLYHCUPRLBRH-MFKMUULPSA-N -1 0 374.353 -0.054 20 0 FBADRM CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1COC(=O)[C@H]1CNC(=O)N1 ZINC000737505366 600369469 /nfs/dbraw/zinc/36/94/69/600369469.db2.gz KTCLYHCUPRLBRH-ZWNOBZJWSA-N -1 0 374.353 -0.054 20 0 FBADRM CN1C(=O)N[C@]2(CCN(S(=O)(=O)Cc3cccc(C(=O)[O-])c3)C2)C1=O ZINC000737505562 600230080 /nfs/dbraw/zinc/23/00/80/600230080.db2.gz NSMPCCZWHFVQTO-HNNXBMFYSA-N -1 0 367.383 -0.159 20 0 FBADRM CN1C(=O)N[C@@]2(CCN(S(=O)(=O)Cc3cccc(C(=O)[O-])c3)C2)C1=O ZINC000737505563 600230122 /nfs/dbraw/zinc/23/01/22/600230122.db2.gz NSMPCCZWHFVQTO-OAHLLOKOSA-N -1 0 367.383 -0.159 20 0 FBADRM CN1C(=O)c2ccc(NC(=O)C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2C1=O ZINC000737505573 600055172 /nfs/dbraw/zinc/05/51/72/600055172.db2.gz NYLKHXKENAGJIW-LLVKDONJSA-N -1 0 361.310 -0.837 20 0 FBADRM CN1C(=O)c2ccc(NC(=O)C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2C1=O ZINC000737505574 597435544 /nfs/dbraw/zinc/43/55/44/597435544.db2.gz NYLKHXKENAGJIW-NSHDSACASA-N -1 0 361.310 -0.837 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])C1=O ZINC000737505610 600586783 /nfs/dbraw/zinc/58/67/83/600586783.db2.gz BFVPKEDLOGJWET-JTQLQIEISA-N -1 0 363.326 -0.828 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])C1=O ZINC000737505611 600586899 /nfs/dbraw/zinc/58/68/99/600586899.db2.gz BFVPKEDLOGJWET-SNVBAGLBSA-N -1 0 363.326 -0.828 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)C1=O ZINC000737505622 600554365 /nfs/dbraw/zinc/55/43/65/600554365.db2.gz BTVFFTJTBALCTL-JTQLQIEISA-N -1 0 351.290 -0.122 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)C1=O ZINC000737505623 600554355 /nfs/dbraw/zinc/55/43/55/600554355.db2.gz BTVFFTJTBALCTL-SNVBAGLBSA-N -1 0 351.290 -0.122 20 0 FBADRM CN1C(=O)N[C@]2(CCN(S(=O)(=O)c3ccc(CC(=O)[O-])cc3)C2)C1=O ZINC000737505733 600650132 /nfs/dbraw/zinc/65/01/32/600650132.db2.gz ORMURBNSJKKIJE-HNNXBMFYSA-N -1 0 367.383 -0.372 20 0 FBADRM CN1C(=O)N[C@@]2(CCN(S(=O)(=O)c3ccc(CC(=O)[O-])cc3)C2)C1=O ZINC000737505735 600650117 /nfs/dbraw/zinc/65/01/17/600650117.db2.gz ORMURBNSJKKIJE-OAHLLOKOSA-N -1 0 367.383 -0.372 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])C1=O ZINC000737506083 600589126 /nfs/dbraw/zinc/58/91/26/600589126.db2.gz MLMYAPAQXQJMTA-JTQLQIEISA-N -1 0 365.317 -0.394 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])C1=O ZINC000737506084 600588930 /nfs/dbraw/zinc/58/89/30/600588930.db2.gz MLMYAPAQXQJMTA-SNVBAGLBSA-N -1 0 365.317 -0.394 20 0 FBADRM CN1C(=O)N[C@@]2(CCN(S(=O)(=O)c3csc(C(=O)[O-])c3)C2)C1=O ZINC000737506139 601107182 /nfs/dbraw/zinc/10/71/82/601107182.db2.gz RXUNIEYTECXPGE-GFCCVEGCSA-N -1 0 359.385 -0.239 20 0 FBADRM CN1C(=O)N[C@]2(CCN(S(=O)(=O)c3csc(C(=O)[O-])c3)C2)C1=O ZINC000737506142 601107233 /nfs/dbraw/zinc/10/72/33/601107233.db2.gz RXUNIEYTECXPGE-LBPRGKRZSA-N -1 0 359.385 -0.239 20 0 FBADRM Cn1cc([C@H]2[C@@H](C(=O)OCC(=O)NCC(=O)[O-])CCC(=O)N2C)cn1 ZINC000737506311 600649937 /nfs/dbraw/zinc/64/99/37/600649937.db2.gz APSLAJMXPGVHGD-HZMBPMFUSA-N -1 0 352.347 -0.926 20 0 FBADRM Cn1cc([C@@H]2[C@@H](C(=O)OCC(=O)NCC(=O)[O-])CCC(=O)N2C)cn1 ZINC000737506314 600649956 /nfs/dbraw/zinc/64/99/56/600649956.db2.gz APSLAJMXPGVHGD-IINYFYTJSA-N -1 0 352.347 -0.926 20 0 FBADRM Cn1cc([C@@H]2[C@H](C(=O)OCC(=O)NCC(=O)[O-])CCC(=O)N2C)cn1 ZINC000737506316 600650013 /nfs/dbraw/zinc/65/00/13/600650013.db2.gz APSLAJMXPGVHGD-QMTHXVAHSA-N -1 0 352.347 -0.926 20 0 FBADRM Cn1cc([C@H]2[C@H](C(=O)OCC(=O)NCC(=O)[O-])CCC(=O)N2C)cn1 ZINC000737506319 600650036 /nfs/dbraw/zinc/65/00/36/600650036.db2.gz APSLAJMXPGVHGD-YGRLFVJLSA-N -1 0 352.347 -0.926 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)C1=O ZINC000737506372 600555482 /nfs/dbraw/zinc/55/54/82/600555482.db2.gz PFHWNAYRDRCQJI-JTQLQIEISA-N -1 0 355.253 -0.373 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)C1=O ZINC000737506374 600555449 /nfs/dbraw/zinc/55/54/49/600555449.db2.gz PFHWNAYRDRCQJI-SNVBAGLBSA-N -1 0 355.253 -0.373 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)OCCOc2cccc(C(=O)[O-])c2)C1=O ZINC000737506459 600214155 /nfs/dbraw/zinc/21/41/55/600214155.db2.gz BTECJNCMPPBBSH-UHFFFAOYSA-N -1 0 350.283 -0.273 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)C1=O ZINC000737506494 601035302 /nfs/dbraw/zinc/03/53/02/601035302.db2.gz SOKGQGKCEBXCNB-UHFFFAOYSA-N -1 0 352.328 -0.243 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1=O ZINC000737506499 600551219 /nfs/dbraw/zinc/55/12/19/600551219.db2.gz SQDXYLVEDSVMQI-GFCCVEGCSA-N -1 0 372.337 -0.300 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)C1=O ZINC000737506776 600556369 /nfs/dbraw/zinc/55/63/69/600556369.db2.gz YQUZRQLKXDWZFW-UHFFFAOYSA-N -1 0 369.280 -0.201 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cccc(C(=O)[O-])c2)C1=O ZINC000737507008 600215667 /nfs/dbraw/zinc/21/56/67/600215667.db2.gz HBBFBKOANLCCQE-UHFFFAOYSA-N -1 0 363.282 -0.713 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccccc2C(=O)[O-])C1=O ZINC000737507544 600215585 /nfs/dbraw/zinc/21/55/85/600215585.db2.gz LOBBCJLWJOXCOJ-UHFFFAOYSA-N -1 0 363.282 -0.713 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)OCc2cn3cccc(C(=O)[O-])c3n2)C1=O ZINC000737507559 600215578 /nfs/dbraw/zinc/21/55/78/600215578.db2.gz LUNNVKMOXSCANH-UHFFFAOYSA-N -1 0 360.282 -0.504 20 0 FBADRM CN1C[C@@H](NC(=O)C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)CCC1=O ZINC000737507864 600506219 /nfs/dbraw/zinc/50/62/19/600506219.db2.gz CCNLBNGXKGBWRY-GWCFXTLKSA-N -1 0 361.354 -0.398 20 0 FBADRM CN1C[C@@H](NC(=O)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)CCC1=O ZINC000737507869 600506267 /nfs/dbraw/zinc/50/62/67/600506267.db2.gz CCNLBNGXKGBWRY-GXFFZTMASA-N -1 0 361.354 -0.398 20 0 FBADRM CN1C[C@H](NC(=O)C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)CCC1=O ZINC000737507872 600506311 /nfs/dbraw/zinc/50/63/11/600506311.db2.gz CCNLBNGXKGBWRY-MFKMUULPSA-N -1 0 361.354 -0.398 20 0 FBADRM CN1C[C@H](NC(=O)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)CCC1=O ZINC000737507875 600506471 /nfs/dbraw/zinc/50/64/71/600506471.db2.gz CCNLBNGXKGBWRY-ZWNOBZJWSA-N -1 0 361.354 -0.398 20 0 FBADRM CN1C[C@H](NC(=O)c2ccc(-n3[nH]c(CC(=O)[O-])cc3=O)cc2)CC1=O ZINC000737508846 599818592 /nfs/dbraw/zinc/81/85/92/599818592.db2.gz LDYPUENIOGLQDV-GFCCVEGCSA-N -1 0 358.354 -0.247 20 0 FBADRM CN1C[C@@H](NC(=O)c2ccc(-n3[nH]c(CC(=O)[O-])cc3=O)cc2)CC1=O ZINC000737508849 599818519 /nfs/dbraw/zinc/81/85/19/599818519.db2.gz LDYPUENIOGLQDV-LBPRGKRZSA-N -1 0 358.354 -0.247 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccsc2C(=O)[O-])C1=O ZINC000737508872 600215569 /nfs/dbraw/zinc/21/55/69/600215569.db2.gz PZMNAIASLNNZKR-UHFFFAOYSA-N -1 0 369.311 -0.651 20 0 FBADRM Cn1cc([C@H]2[C@@H](C(=O)N3CCO[C@H](C(=O)[O-])C3)CCC(=O)N2C)cn1 ZINC000737508917 600616641 /nfs/dbraw/zinc/61/66/41/600616641.db2.gz QIIKYLBMMHBCCH-OBJOEFQTSA-N -1 0 350.375 -0.358 20 0 FBADRM Cn1cc([C@@H]2[C@@H](C(=O)N3CCO[C@@H](C(=O)[O-])C3)CCC(=O)N2C)cn1 ZINC000737508925 600616733 /nfs/dbraw/zinc/61/67/33/600616733.db2.gz QIIKYLBMMHBCCH-OUCADQQQSA-N -1 0 350.375 -0.358 20 0 FBADRM Cn1cc([C@H]2[C@@H](C(=O)N3CCO[C@@H](C(=O)[O-])C3)CCC(=O)N2C)cn1 ZINC000737508931 600616660 /nfs/dbraw/zinc/61/66/60/600616660.db2.gz QIIKYLBMMHBCCH-SCRDCRAPSA-N -1 0 350.375 -0.358 20 0 FBADRM Cn1cc([C@@H]2[C@@H](C(=O)N3CCO[C@H](C(=O)[O-])C3)CCC(=O)N2C)cn1 ZINC000737508939 600616549 /nfs/dbraw/zinc/61/65/49/600616549.db2.gz QIIKYLBMMHBCCH-SGMGOOAPSA-N -1 0 350.375 -0.358 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)Nc2nnc(CCCC(=O)[O-])s2)C1=O ZINC000737509089 600536889 /nfs/dbraw/zinc/53/68/89/600536889.db2.gz RLVCZUBPYKMMQE-UHFFFAOYSA-N -1 0 355.332 -0.696 20 0 FBADRM CN1C(=O)CCc2cc(NC(=O)C(=O)N3CCO[C@@H](C(=O)[O-])C3)ccc21 ZINC000737510395 599881825 /nfs/dbraw/zinc/88/18/25/599881825.db2.gz XJFCNVBEHRQQER-CYBMUJFWSA-N -1 0 361.354 -0.154 20 0 FBADRM CN1C(=O)CCc2cc(NC(=O)C(=O)N3CCO[C@H](C(=O)[O-])C3)ccc21 ZINC000737510545 599881790 /nfs/dbraw/zinc/88/17/90/599881790.db2.gz XJFCNVBEHRQQER-ZDUSSCGKSA-N -1 0 361.354 -0.154 20 0 FBADRM Cn1cc([C@H]2[C@H](C(=O)OCC(=O)NCCC(=O)[O-])CCC(=O)N2C)cn1 ZINC000737510615 600649982 /nfs/dbraw/zinc/64/99/82/600649982.db2.gz XQOYBFKVRBYYAV-ABAIWWIYSA-N -1 0 366.374 -0.536 20 0 FBADRM Cn1cc([C@@H]2[C@H](C(=O)OCC(=O)NCCC(=O)[O-])CCC(=O)N2C)cn1 ZINC000737510616 600649958 /nfs/dbraw/zinc/64/99/58/600649958.db2.gz XQOYBFKVRBYYAV-IAQYHMDHSA-N -1 0 366.374 -0.536 20 0 FBADRM Cn1cc([C@H]2[C@@H](C(=O)OCC(=O)NCCC(=O)[O-])CCC(=O)N2C)cn1 ZINC000737510617 600649973 /nfs/dbraw/zinc/64/99/73/600649973.db2.gz XQOYBFKVRBYYAV-NHYWBVRUSA-N -1 0 366.374 -0.536 20 0 FBADRM Cn1cc([C@@H]2[C@@H](C(=O)OCC(=O)NCCC(=O)[O-])CCC(=O)N2C)cn1 ZINC000737510618 600649974 /nfs/dbraw/zinc/64/99/74/600649974.db2.gz XQOYBFKVRBYYAV-XHDPSFHLSA-N -1 0 366.374 -0.536 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(C(=O)[O-])cc2)C1=O ZINC000737510796 600215573 /nfs/dbraw/zinc/21/55/73/600215573.db2.gz YGUBTOKBNCRENF-UHFFFAOYSA-N -1 0 363.282 -0.713 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000737512622 599150986 /nfs/dbraw/zinc/15/09/86/599150986.db2.gz YCEWQWACUGADFS-UHFFFAOYSA-N -1 0 362.375 -0.269 20 0 FBADRM CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCC(=O)[O-])CC1 ZINC000737514704 600334629 /nfs/dbraw/zinc/33/46/29/600334629.db2.gz AMBWWMAZGHISQR-UHFFFAOYSA-N -1 0 362.386 -0.396 20 0 FBADRM CN1CC[C@@H](N2CCN(S(=O)(=O)c3cc(C(=O)[O-])cs3)CC2)C1=O ZINC000737515397 600214783 /nfs/dbraw/zinc/21/47/83/600214783.db2.gz UNQBPTYBQMJBEH-LLVKDONJSA-N -1 0 373.456 -0.017 20 0 FBADRM CN1CC[C@H](N2CCN(S(=O)(=O)c3cc(C(=O)[O-])cs3)CC2)C1=O ZINC000737515398 600214745 /nfs/dbraw/zinc/21/47/45/600214745.db2.gz UNQBPTYBQMJBEH-NSHDSACASA-N -1 0 373.456 -0.017 20 0 FBADRM CN1CCN(C(=O)c2ccc(-n3[nH]c(CC(=O)[O-])cc3=O)cc2)CC1=O ZINC000737515463 600700224 /nfs/dbraw/zinc/70/02/24/600700224.db2.gz ITEIBGOTZQVBHQ-UHFFFAOYSA-N -1 0 358.354 -0.293 20 0 FBADRM CN1CCN(C(=O)CC2CCN(CC(=O)NCCC(=O)[O-])CC2)CC1 ZINC000737515471 600147918 /nfs/dbraw/zinc/14/79/18/600147918.db2.gz JGDGYDGUIKZNAY-UHFFFAOYSA-N -1 0 354.451 -0.547 20 0 FBADRM CN(CC(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1)C(=O)[O-] ZINC000737515529 602679473 /nfs/dbraw/zinc/67/94/73/602679473.db2.gz KQKCBNBKXLLBAX-UHFFFAOYSA-N -1 0 369.466 -0.707 20 0 FBADRM CN1CC[C@@H](NC(=O)c2ccc(-n3[nH]c(CC(=O)[O-])cc3=O)cc2)C1=O ZINC000737515575 600416582 /nfs/dbraw/zinc/41/65/82/600416582.db2.gz YGBOYDNYJDYAPT-CYBMUJFWSA-N -1 0 358.354 -0.247 20 0 FBADRM CN1CC[C@H](NC(=O)c2ccc(-n3[nH]c(CC(=O)[O-])cc3=O)cc2)C1=O ZINC000737515577 600416567 /nfs/dbraw/zinc/41/65/67/600416567.db2.gz YGBOYDNYJDYAPT-ZDUSSCGKSA-N -1 0 358.354 -0.247 20 0 FBADRM CN1CCN(C(=O)CC2CCN(Cn3cc(C(=O)[O-])nn3)CC2)CC1 ZINC000737515595 599976553 /nfs/dbraw/zinc/97/65/53/599976553.db2.gz MCBPFSJCGPZNFB-UHFFFAOYSA-N -1 0 350.423 -0.190 20 0 FBADRM CN(C(=O)CCNC(=O)[O-])C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000737515883 602676030 /nfs/dbraw/zinc/67/60/30/602676030.db2.gz ODQWUBGGZWRFOO-UHFFFAOYSA-N -1 0 369.466 -0.659 20 0 FBADRM CN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCC(=O)[O-])cc2)CC1 ZINC000737515938 600334662 /nfs/dbraw/zinc/33/46/62/600334662.db2.gz QSIWKKPFMQNZHL-UHFFFAOYSA-N -1 0 362.386 -0.396 20 0 FBADRM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000737516283 599951557 /nfs/dbraw/zinc/95/15/57/599951557.db2.gz TZDQHUMKIBQHMQ-CABCVRRESA-N -1 0 366.462 -0.596 20 0 FBADRM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000737516284 599951586 /nfs/dbraw/zinc/95/15/86/599951586.db2.gz TZDQHUMKIBQHMQ-GJZGRUSLSA-N -1 0 366.462 -0.596 20 0 FBADRM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000737516285 599951479 /nfs/dbraw/zinc/95/14/79/599951479.db2.gz TZDQHUMKIBQHMQ-HUUCEWRRSA-N -1 0 366.462 -0.596 20 0 FBADRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000737516286 599951496 /nfs/dbraw/zinc/95/14/96/599951496.db2.gz TZDQHUMKIBQHMQ-LSDHHAIUSA-N -1 0 366.462 -0.596 20 0 FBADRM CN1CCN(C(=O)C2CCN(S(=O)(=O)CCCC(=O)[O-])CC2)CC1 ZINC000737516316 600493776 /nfs/dbraw/zinc/49/37/76/600493776.db2.gz VELZKRQHJKYHEI-UHFFFAOYSA-N -1 0 361.464 -0.333 20 0 FBADRM CN1CCN(C(=O)CCNS(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000737516330 600225678 /nfs/dbraw/zinc/22/56/78/600225678.db2.gz VTCXYOOAGOWIHY-UHFFFAOYSA-N -1 0 369.443 -0.032 20 0 FBADRM CN1CCN(C(=O)CC2CCN(Cn3cnc(C(=O)[O-])n3)CC2)CC1 ZINC000737516359 599976692 /nfs/dbraw/zinc/97/66/92/599976692.db2.gz WSCUGUNHQKADPC-UHFFFAOYSA-N -1 0 350.423 -0.190 20 0 FBADRM CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC000737516381 600648698 /nfs/dbraw/zinc/64/86/98/600648698.db2.gz XLPBBDRQVWACQA-UHFFFAOYSA-N -1 0 369.443 -0.244 20 0 FBADRM CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000737528647 600469045 /nfs/dbraw/zinc/46/90/45/600469045.db2.gz AXJPOVKDJCFCSS-AWEZNQCLSA-N -1 0 365.386 -0.075 20 0 FBADRM CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000737528648 600469011 /nfs/dbraw/zinc/46/90/11/600469011.db2.gz AXJPOVKDJCFCSS-CQSZACIVSA-N -1 0 365.386 -0.075 20 0 FBADRM CN1CCO[C@@H](CNC(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)C1 ZINC000737528734 599833782 /nfs/dbraw/zinc/83/37/82/599833782.db2.gz CPRVAYRFAZAIPV-AWEZNQCLSA-N -1 0 364.402 -0.118 20 0 FBADRM CN1CCO[C@H](CNC(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)C1 ZINC000737528736 599833558 /nfs/dbraw/zinc/83/35/58/599833558.db2.gz CPRVAYRFAZAIPV-CQSZACIVSA-N -1 0 364.402 -0.118 20 0 FBADRM CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC000737528759 600468661 /nfs/dbraw/zinc/46/86/61/600468661.db2.gz DJGZZICAPLTOMC-CYBMUJFWSA-N -1 0 351.359 -0.465 20 0 FBADRM CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC000737528761 600468913 /nfs/dbraw/zinc/46/89/13/600468913.db2.gz DJGZZICAPLTOMC-ZDUSSCGKSA-N -1 0 351.359 -0.465 20 0 FBADRM CN1CCN(S(=O)(=O)N2CCN(Cc3cc(C(=O)[O-])co3)CC2)CC1 ZINC000737529020 599888397 /nfs/dbraw/zinc/88/83/97/599888397.db2.gz QMBNLFHJKBEZTG-UHFFFAOYSA-N -1 0 372.447 -0.412 20 0 FBADRM CN1CCO[C@H](CNC(=O)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)C1 ZINC000737529464 600468697 /nfs/dbraw/zinc/46/86/97/600468697.db2.gz JXJOLFZEHRMWRV-BXUZGUMPSA-N -1 0 363.370 -0.688 20 0 FBADRM CN1CCO[C@@H](CNC(=O)C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)C1 ZINC000737529468 600469007 /nfs/dbraw/zinc/46/90/07/600469007.db2.gz JXJOLFZEHRMWRV-FZMZJTMJSA-N -1 0 363.370 -0.688 20 0 FBADRM CN1CCO[C@H](CNC(=O)C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)C1 ZINC000737529471 600468770 /nfs/dbraw/zinc/46/87/70/600468770.db2.gz JXJOLFZEHRMWRV-RISCZKNCSA-N -1 0 363.370 -0.688 20 0 FBADRM CN1CCO[C@@H](CNC(=O)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)C1 ZINC000737529472 600468908 /nfs/dbraw/zinc/46/89/08/600468908.db2.gz JXJOLFZEHRMWRV-SMDDNHRTSA-N -1 0 363.370 -0.688 20 0 FBADRM CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)CNC(=O)[O-])CC1 ZINC000737529537 602961109 /nfs/dbraw/zinc/96/11/09/602961109.db2.gz ZFIYFGWSUPLSHH-UHFFFAOYSA-N -1 0 370.431 -0.494 20 0 FBADRM CN1CCO[C@H](CNC(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)C1 ZINC000737529978 600468787 /nfs/dbraw/zinc/46/87/87/600468787.db2.gz QMIFTGBTBFZKAD-CYBMUJFWSA-N -1 0 351.359 -0.465 20 0 FBADRM CN1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)C1 ZINC000737529979 600468830 /nfs/dbraw/zinc/46/88/30/600468830.db2.gz QMIFTGBTBFZKAD-ZDUSSCGKSA-N -1 0 351.359 -0.465 20 0 FBADRM CN1CCO[C@@H](CNC(=O)c2ccc(-n3[nH]c(CC(=O)[O-])cc3=O)cc2)C1 ZINC000737530297 599818099 /nfs/dbraw/zinc/81/80/99/599818099.db2.gz RWKTURPASXVJIL-HNNXBMFYSA-N -1 0 374.397 -0.147 20 0 FBADRM CN1CCO[C@H](CNC(=O)c2ccc(-n3[nH]c(CC(=O)[O-])cc3=O)cc2)C1 ZINC000737530298 599818245 /nfs/dbraw/zinc/81/82/45/599818245.db2.gz RWKTURPASXVJIL-OAHLLOKOSA-N -1 0 374.397 -0.147 20 0 FBADRM CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000737530931 600468668 /nfs/dbraw/zinc/46/86/68/600468668.db2.gz ZVDMTYHDWREZJW-CYBMUJFWSA-N -1 0 350.375 -0.161 20 0 FBADRM CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000737530932 600469783 /nfs/dbraw/zinc/46/97/83/600469783.db2.gz ZVDMTYHDWREZJW-ZDUSSCGKSA-N -1 0 350.375 -0.161 20 0 FBADRM CNC(=O)CN(C)S(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC ZINC000737537086 599853511 /nfs/dbraw/zinc/85/35/11/599853511.db2.gz UAWNKXZVSOQKIV-UHFFFAOYSA-N -1 0 350.374 -0.401 20 0 FBADRM CNC(=O)CN(C)S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-] ZINC000737537645 599853527 /nfs/dbraw/zinc/85/35/27/599853527.db2.gz WKYMGQUMVRQQQR-UHFFFAOYSA-N -1 0 350.374 -0.401 20 0 FBADRM CNC(=O)CCN(C)S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC000737537825 599761851 /nfs/dbraw/zinc/76/18/51/599761851.db2.gz ZTRRATPFOHABJK-UHFFFAOYSA-N -1 0 358.372 -0.072 20 0 FBADRM Cc1noc(C)c1C[C@@H](C)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000737538431 599531230 /nfs/dbraw/zinc/53/12/30/599531230.db2.gz OSDCVVITYLJDAN-SSDOTTSWSA-N -1 0 360.378 -0.088 20 0 FBADRM Cc1noc(C)c1C[C@H](C)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000737538434 599530968 /nfs/dbraw/zinc/53/09/68/599530968.db2.gz OSDCVVITYLJDAN-ZETCQYMHSA-N -1 0 360.378 -0.088 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC[C@@H](NC(=O)[O-])C2)CC1 ZINC000737538842 602601024 /nfs/dbraw/zinc/60/10/24/602601024.db2.gz DJGMWVPFLGFSOD-CYBMUJFWSA-N -1 0 369.422 -0.491 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC[C@H](NC(=O)[O-])C2)CC1 ZINC000737538846 602600899 /nfs/dbraw/zinc/60/08/99/602600899.db2.gz DJGMWVPFLGFSOD-ZDUSSCGKSA-N -1 0 369.422 -0.491 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000737538999 600171828 /nfs/dbraw/zinc/17/18/28/600171828.db2.gz QIRUPPZJRGVEBI-JTQLQIEISA-N -1 0 350.375 -0.203 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000737539000 600171793 /nfs/dbraw/zinc/17/17/93/600171793.db2.gz QIRUPPZJRGVEBI-SNVBAGLBSA-N -1 0 350.375 -0.203 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000737539487 602573730 /nfs/dbraw/zinc/57/37/30/602573730.db2.gz JTFQUXMPFQEVHG-CYBMUJFWSA-N -1 0 354.407 -0.427 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000737539488 602573695 /nfs/dbraw/zinc/57/36/95/602573695.db2.gz JTFQUXMPFQEVHG-ZDUSSCGKSA-N -1 0 354.407 -0.427 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000737539550 600344614 /nfs/dbraw/zinc/34/46/14/600344614.db2.gz RKLUHUQJWZFOHZ-GFCCVEGCSA-N -1 0 369.399 -0.600 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000737539554 600344366 /nfs/dbraw/zinc/34/43/66/600344366.db2.gz RKLUHUQJWZFOHZ-LBPRGKRZSA-N -1 0 369.399 -0.600 20 0 FBADRM CC(=O)N1CSC[C@@H]1C(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000737539767 660531258 /nfs/dbraw/zinc/53/12/58/660531258.db2.gz JOIGPIGOBUYESQ-GFCCVEGCSA-N -1 0 357.432 -0.311 20 0 FBADRM CC(=O)N1CSC[C@H]1C(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000737539768 660531247 /nfs/dbraw/zinc/53/12/47/660531247.db2.gz JOIGPIGOBUYESQ-LBPRGKRZSA-N -1 0 357.432 -0.311 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CCCN(C(=O)[O-])CC2)CC1 ZINC000737539923 602601058 /nfs/dbraw/zinc/60/10/58/602601058.db2.gz MWYVEHSXTXSXBS-UHFFFAOYSA-N -1 0 369.422 -0.538 20 0 FBADRM CNC(=O)CN1CCN(C(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])CC1 ZINC000737540003 599815673 /nfs/dbraw/zinc/81/56/73/599815673.db2.gz JJIWTCWVQGBRLR-UHFFFAOYSA-N -1 0 364.402 -0.343 20 0 FBADRM CC(=O)N1CCN(CCNS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000737540283 601217948 /nfs/dbraw/zinc/21/79/48/601217948.db2.gz RUMGZISTAJXGRM-UHFFFAOYSA-N -1 0 373.406 -0.034 20 0 FBADRM CNC(=O)COc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000737540327 599881794 /nfs/dbraw/zinc/88/17/94/599881794.db2.gz NJNOWQARPJGMJU-GFCCVEGCSA-N -1 0 365.342 -0.938 20 0 FBADRM CNC(=O)COc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000737540345 599882012 /nfs/dbraw/zinc/88/20/12/599882012.db2.gz NJNOWQARPJGMJU-LBPRGKRZSA-N -1 0 365.342 -0.938 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)C2CCN(C(=O)[O-])CC2)CC1 ZINC000737540384 602573853 /nfs/dbraw/zinc/57/38/53/602573853.db2.gz UBFGWQRKAUOPDN-UHFFFAOYSA-N -1 0 354.407 -0.427 20 0 FBADRM CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(C(=O)[O-])CC2)cc1 ZINC000737540425 602659483 /nfs/dbraw/zinc/65/94/83/602659483.db2.gz OWBWMZUQTUQPLO-UHFFFAOYSA-N -1 0 364.358 -0.428 20 0 FBADRM CNC(=O)COc1cccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000737540931 597420155 /nfs/dbraw/zinc/42/01/55/597420155.db2.gz RFDUFJZVZHHXFJ-CYBMUJFWSA-N -1 0 351.359 -0.194 20 0 FBADRM CNC(=O)COc1cccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000737540933 597419916 /nfs/dbraw/zinc/41/99/16/597419916.db2.gz RFDUFJZVZHHXFJ-ZDUSSCGKSA-N -1 0 351.359 -0.194 20 0 FBADRM CC(=O)N1CSC[C@H]1C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000737540962 660531250 /nfs/dbraw/zinc/53/12/50/660531250.db2.gz TXJPXIBBKNUCIN-NEPJUHHUSA-N -1 0 357.432 -0.311 20 0 FBADRM CC(=O)N1CSC[C@@H]1C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000737540963 660531270 /nfs/dbraw/zinc/53/12/70/660531270.db2.gz TXJPXIBBKNUCIN-NWDGAFQWSA-N -1 0 357.432 -0.311 20 0 FBADRM CNC(=O)Cc1ccc(NC(=O)C(=O)NCCSCC(=O)[O-])cc1 ZINC000737540965 599909766 /nfs/dbraw/zinc/90/97/66/599909766.db2.gz SAGIHKOHDCPHEL-UHFFFAOYSA-N -1 0 353.400 -0.152 20 0 FBADRM CC(=O)N1CSC[C@H]1C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000737540966 660531152 /nfs/dbraw/zinc/53/11/52/660531152.db2.gz TXJPXIBBKNUCIN-RYUDHWBXSA-N -1 0 357.432 -0.311 20 0 FBADRM CC(=O)N1CSC[C@@H]1C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000737540968 660531248 /nfs/dbraw/zinc/53/12/48/660531248.db2.gz TXJPXIBBKNUCIN-VXGBXAGGSA-N -1 0 357.432 -0.311 20 0 FBADRM CNC(=O)COc1ccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1OC ZINC000737541297 600179885 /nfs/dbraw/zinc/17/98/85/600179885.db2.gz WVEZRPMUZXEPBK-UHFFFAOYSA-N -1 0 363.330 -0.183 20 0 FBADRM CNC(=O)c1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1Cl ZINC000737543240 600053314 /nfs/dbraw/zinc/05/33/14/600053314.db2.gz NCCFETAENIUXEC-LLVKDONJSA-N -1 0 369.761 -0.050 20 0 FBADRM CNC(=O)c1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1Cl ZINC000737543241 600053460 /nfs/dbraw/zinc/05/34/60/600053460.db2.gz NCCFETAENIUXEC-NSHDSACASA-N -1 0 369.761 -0.050 20 0 FBADRM CNC(=O)Cn1cc(NC(=O)C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cn1 ZINC000737544063 600416123 /nfs/dbraw/zinc/41/61/23/600416123.db2.gz ZXXDPLCFIPSSBG-GFCCVEGCSA-N -1 0 371.353 -0.217 20 0 FBADRM CNC(=O)Cn1cc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cn1 ZINC000737544065 600415871 /nfs/dbraw/zinc/41/58/71/600415871.db2.gz ZXXDPLCFIPSSBG-LBPRGKRZSA-N -1 0 371.353 -0.217 20 0 FBADRM CNC(=O)c1ccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cn1 ZINC000737545190 600263829 /nfs/dbraw/zinc/26/38/29/600263829.db2.gz XJECCFYMSPNXPI-UHFFFAOYSA-N -1 0 350.375 -0.700 20 0 FBADRM CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NCCSCC(=O)[O-])c1 ZINC000737546336 599909764 /nfs/dbraw/zinc/90/97/64/599909764.db2.gz ISUIMRFUTSMITK-UHFFFAOYSA-N -1 0 369.399 -0.073 20 0 FBADRM CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000737546886 600055610 /nfs/dbraw/zinc/05/56/10/600055610.db2.gz MAIUCKXIIWJLAV-LLVKDONJSA-N -1 0 369.761 -0.050 20 0 FBADRM CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000737546887 600055655 /nfs/dbraw/zinc/05/56/55/600055655.db2.gz MAIUCKXIIWJLAV-NSHDSACASA-N -1 0 369.761 -0.050 20 0 FBADRM CNC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1Cl ZINC000737547278 600052685 /nfs/dbraw/zinc/05/26/85/600052685.db2.gz SNSXNJWAHBOVBZ-LLVKDONJSA-N -1 0 369.761 -0.050 20 0 FBADRM CNC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1Cl ZINC000737547280 600052711 /nfs/dbraw/zinc/05/27/11/600052711.db2.gz SNSXNJWAHBOVBZ-NSHDSACASA-N -1 0 369.761 -0.050 20 0 FBADRM CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000737547292 600055657 /nfs/dbraw/zinc/05/56/57/600055657.db2.gz STRREPUGOAJPPZ-GFCCVEGCSA-N -1 0 365.342 -0.695 20 0 FBADRM CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000737547295 600055646 /nfs/dbraw/zinc/05/56/46/600055646.db2.gz STRREPUGOAJPPZ-LBPRGKRZSA-N -1 0 365.342 -0.695 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737548400 602519736 /nfs/dbraw/zinc/51/97/36/602519736.db2.gz VWDGLILLOQKHCG-CYBMUJFWSA-N -1 0 354.407 -0.286 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737548402 602519645 /nfs/dbraw/zinc/51/96/45/602519645.db2.gz VWDGLILLOQKHCG-ZDUSSCGKSA-N -1 0 354.407 -0.286 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CCO1 ZINC000737548458 602127840 /nfs/dbraw/zinc/12/78/40/602127840.db2.gz YGYMDOWJQSZQFE-AWEZNQCLSA-N -1 0 363.370 -0.384 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CCO1 ZINC000737548459 602128348 /nfs/dbraw/zinc/12/83/48/602128348.db2.gz YGYMDOWJQSZQFE-CQSZACIVSA-N -1 0 363.370 -0.384 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N(CC(=O)[O-])CC(=O)OC)ccc1OC ZINC000737551833 599754199 /nfs/dbraw/zinc/75/41/99/599754199.db2.gz CTSRHBLASSERHB-UHFFFAOYSA-N -1 0 374.371 -0.697 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000737552200 600240986 /nfs/dbraw/zinc/24/09/86/600240986.db2.gz IRCJCOOMDXSNMM-GFCCVEGCSA-N -1 0 369.399 -0.137 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000737552201 600241003 /nfs/dbraw/zinc/24/10/03/600241003.db2.gz IRCJCOOMDXSNMM-LBPRGKRZSA-N -1 0 369.399 -0.137 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(CC(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC000737552567 600642691 /nfs/dbraw/zinc/64/26/91/600642691.db2.gz MCPLPCBKHNUDSR-GFCCVEGCSA-N -1 0 361.464 -0.096 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(CC(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC000737552568 600642890 /nfs/dbraw/zinc/64/28/90/600642890.db2.gz MCPLPCBKHNUDSR-LBPRGKRZSA-N -1 0 361.464 -0.096 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN([C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000737552581 600642697 /nfs/dbraw/zinc/64/26/97/600642697.db2.gz MGJYZVBTINPWDC-AAEUAGOBSA-N -1 0 361.464 -0.288 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN([C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000737552582 600642918 /nfs/dbraw/zinc/64/29/18/600642918.db2.gz MGJYZVBTINPWDC-DGCLKSJQSA-N -1 0 361.464 -0.288 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN([C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000737552583 600642767 /nfs/dbraw/zinc/64/27/67/600642767.db2.gz MGJYZVBTINPWDC-WCQYABFASA-N -1 0 361.464 -0.288 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN([C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000737552584 600642870 /nfs/dbraw/zinc/64/28/70/600642870.db2.gz MGJYZVBTINPWDC-YPMHNXCESA-N -1 0 361.464 -0.288 20 0 FBADRM CNS(=O)(=O)C1CCN(CC(=O)NC2(C(=O)[O-])CCCCC2)CC1 ZINC000737552606 600325777 /nfs/dbraw/zinc/32/57/77/600325777.db2.gz NADQYHAJRYHYOG-UHFFFAOYSA-N -1 0 361.464 -0.096 20 0 FBADRM CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000737552646 600417459 /nfs/dbraw/zinc/41/74/59/600417459.db2.gz OLWILFWFKSOMKZ-UHFFFAOYSA-N -1 0 369.399 -0.137 20 0 FBADRM CNS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000737553010 600345272 /nfs/dbraw/zinc/34/52/72/600345272.db2.gz QKZIYBCUXLDIFN-UHFFFAOYSA-N -1 0 352.390 -0.320 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000737553042 600651678 /nfs/dbraw/zinc/65/16/78/600651678.db2.gz QYALFTDZUIRJCQ-LLVKDONJSA-N -1 0 369.465 -0.959 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000737553044 600651664 /nfs/dbraw/zinc/65/16/64/600651664.db2.gz QYALFTDZUIRJCQ-NSHDSACASA-N -1 0 369.465 -0.959 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000737553673 600033776 /nfs/dbraw/zinc/03/37/76/600033776.db2.gz VTKBVQKFGQHNRS-CYBMUJFWSA-N -1 0 371.415 -0.269 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000737553674 600033869 /nfs/dbraw/zinc/03/38/69/600033869.db2.gz VTKBVQKFGQHNRS-ZDUSSCGKSA-N -1 0 371.415 -0.269 20 0 FBADRM CNC(=O)c1nn(CN(CC(=O)[O-])CC(=O)OC)c(=O)c2ccccc21 ZINC000737554165 599953418 /nfs/dbraw/zinc/95/34/18/599953418.db2.gz XHNYQQFWKXAISM-UHFFFAOYSA-N -1 0 362.342 -0.727 20 0 FBADRM CNS(=O)(=O)c1c[nH]c(C(=O)OCc2noc(CCC(=O)[O-])n2)c1 ZINC000737554259 600188646 /nfs/dbraw/zinc/18/86/46/600188646.db2.gz YUCSSIWZTOLETB-UHFFFAOYSA-N -1 0 358.332 -0.320 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000737554268 600651830 /nfs/dbraw/zinc/65/18/30/600651830.db2.gz YYQLMLWNORPXBG-MRVPVSSYSA-N -1 0 352.390 -0.320 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000737554269 600651782 /nfs/dbraw/zinc/65/17/82/600651782.db2.gz YYQLMLWNORPXBG-QMMMGPOBSA-N -1 0 352.390 -0.320 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)OCc2noc(CCC(=O)[O-])n2)o1 ZINC000737556723 600188869 /nfs/dbraw/zinc/18/88/69/600188869.db2.gz AEGUQPXOBFILAP-UHFFFAOYSA-N -1 0 359.316 -0.055 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CN2CCO[C@@H](C(=O)[O-])C2)ccc1C ZINC000737556765 599974016 /nfs/dbraw/zinc/97/40/16/599974016.db2.gz AVLHVWFXABGKIB-GFCCVEGCSA-N -1 0 371.415 -0.373 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CN2CCO[C@H](C(=O)[O-])C2)ccc1C ZINC000737556769 599974244 /nfs/dbraw/zinc/97/42/44/599974244.db2.gz AVLHVWFXABGKIB-LBPRGKRZSA-N -1 0 371.415 -0.373 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000737556776 600035802 /nfs/dbraw/zinc/03/58/02/600035802.db2.gz BXLXPPXULZYAHK-GFCCVEGCSA-N -1 0 357.388 -0.410 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000737556777 600035655 /nfs/dbraw/zinc/03/56/55/600035655.db2.gz BXLXPPXULZYAHK-LBPRGKRZSA-N -1 0 357.388 -0.410 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)Cn2cnc(C(=O)[O-])n2)ccc1C ZINC000737556778 600472920 /nfs/dbraw/zinc/47/29/20/600472920.db2.gz BJSATPTWBGLYRR-UHFFFAOYSA-N -1 0 353.360 -0.168 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])ccc1C ZINC000737556806 600140702 /nfs/dbraw/zinc/14/07/02/600140702.db2.gz BUTFNHKZZIMJTQ-NEPJUHHUSA-N -1 0 371.415 -0.639 20 0 FBADRM CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CNC(=O)[O-])CC1 ZINC000737556877 602155539 /nfs/dbraw/zinc/15/55/39/602155539.db2.gz DHWFNTCFLYHEJV-UHFFFAOYSA-N -1 0 356.404 -0.489 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)CN(C)C(=O)[O-])c1 ZINC000737556904 602576723 /nfs/dbraw/zinc/57/67/23/602576723.db2.gz DXXMATYMWWTITF-UHFFFAOYSA-N -1 0 358.376 -0.741 20 0 FBADRM CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CCNC(=O)[O-])CC1 ZINC000737557360 602155694 /nfs/dbraw/zinc/15/56/94/602155694.db2.gz IWXPMJTZADFJKT-UHFFFAOYSA-N -1 0 370.431 -0.099 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)CN(C)C(=O)[O-])c1 ZINC000737557375 602679523 /nfs/dbraw/zinc/67/95/23/602679523.db2.gz JEEWNWXJHIKXGI-SECBINFHSA-N -1 0 372.403 -0.352 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)CN(C)C(=O)[O-])c1 ZINC000737557377 602679546 /nfs/dbraw/zinc/67/95/46/602679546.db2.gz JEEWNWXJHIKXGI-VIFPVBQESA-N -1 0 372.403 -0.352 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)CNC(=O)[O-])c1 ZINC000737557859 602676597 /nfs/dbraw/zinc/67/65/97/602676597.db2.gz PKLZNGKHNAYWIK-MRVPVSSYSA-N -1 0 358.376 -0.695 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)CNC(=O)[O-])c1 ZINC000737557862 602676622 /nfs/dbraw/zinc/67/66/22/602676622.db2.gz PKLZNGKHNAYWIK-QMMMGPOBSA-N -1 0 358.376 -0.695 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)CCNC(=O)[O-])c1 ZINC000737557868 602510619 /nfs/dbraw/zinc/51/06/19/602510619.db2.gz PPUVSGJQAKOKCA-UHFFFAOYSA-N -1 0 358.376 -0.693 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C(C)(C)NC(=O)[O-])c1 ZINC000737557906 602510625 /nfs/dbraw/zinc/51/06/25/602510625.db2.gz RUSXBURRPLZXDG-UHFFFAOYSA-N -1 0 372.403 -0.304 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)CCCNC(=O)[O-])c1 ZINC000737558190 602510769 /nfs/dbraw/zinc/51/07/69/602510769.db2.gz SCNWYXSVZBDXIM-UHFFFAOYSA-N -1 0 372.403 -0.303 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC000737558194 599952037 /nfs/dbraw/zinc/95/20/37/599952037.db2.gz SIZAXUZAOWLNGY-AXTRIDKLSA-N -1 0 369.399 -0.241 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000737558195 599952103 /nfs/dbraw/zinc/95/21/03/599952103.db2.gz SIZAXUZAOWLNGY-KPXOXKRLSA-N -1 0 369.399 -0.241 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC000737558198 599952228 /nfs/dbraw/zinc/95/22/28/599952228.db2.gz SIZAXUZAOWLNGY-UWJYBYFXSA-N -1 0 369.399 -0.241 20 0 FBADRM CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000737558246 602197691 /nfs/dbraw/zinc/19/76/91/602197691.db2.gz UQFLAXAOTPJUMB-UHFFFAOYSA-N -1 0 370.431 -0.147 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)CCNC(=O)[O-])c1 ZINC000737558260 602676431 /nfs/dbraw/zinc/67/64/31/602676431.db2.gz UXLUNIIKRPSMNP-SECBINFHSA-N -1 0 372.403 -0.304 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)CCNC(=O)[O-])c1 ZINC000737558261 602676435 /nfs/dbraw/zinc/67/64/35/602676435.db2.gz UXLUNIIKRPSMNP-VIFPVBQESA-N -1 0 372.403 -0.304 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)s1 ZINC000737558567 597415311 /nfs/dbraw/zinc/41/53/11/597415311.db2.gz KHPPUMCXYHMODF-SECBINFHSA-N -1 0 363.417 -0.349 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)s1 ZINC000737558570 597415274 /nfs/dbraw/zinc/41/52/74/597415274.db2.gz KHPPUMCXYHMODF-VIFPVBQESA-N -1 0 363.417 -0.349 20 0 FBADRM CNS(=O)(=O)c1ccc(CCC(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1 ZINC000737559022 600534539 /nfs/dbraw/zinc/53/45/39/600534539.db2.gz PFIOXNOCMSSVEW-UHFFFAOYSA-N -1 0 367.387 -0.089 20 0 FBADRM CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c1 ZINC000737559103 600184605 /nfs/dbraw/zinc/18/46/05/600184605.db2.gz QAUAKWNUESUSHB-UHFFFAOYSA-N -1 0 353.360 -0.099 20 0 FBADRM CNS(=O)(=O)c1ccc(CCC(=O)N(CC(=O)[O-])CC(=O)OC)cc1 ZINC000737559656 599754005 /nfs/dbraw/zinc/75/40/05/599754005.db2.gz UWOXFNASUYSSHJ-UHFFFAOYSA-N -1 0 372.399 -0.387 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)ccc1OC ZINC000737559742 600536036 /nfs/dbraw/zinc/53/60/36/600536036.db2.gz XDTXDINEZZBGPK-UHFFFAOYSA-N -1 0 369.359 -0.399 20 0 FBADRM COC(=O)[C@H](C)CNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000737561921 600344943 /nfs/dbraw/zinc/34/49/43/600344943.db2.gz HLINOVUSNHTSQB-BXKDBHETSA-N -1 0 350.327 -0.210 20 0 FBADRM COC(=O)[C@@H](C)CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000737561923 600344754 /nfs/dbraw/zinc/34/47/54/600344754.db2.gz HLINOVUSNHTSQB-CABZTGNLSA-N -1 0 350.327 -0.210 20 0 FBADRM COC(=O)[C@@H](C)CNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000737561925 600344829 /nfs/dbraw/zinc/34/48/29/600344829.db2.gz HLINOVUSNHTSQB-JOYOIKCWSA-N -1 0 350.327 -0.210 20 0 FBADRM COC(=O)[C@H](C)CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000737561928 600344891 /nfs/dbraw/zinc/34/48/91/600344891.db2.gz HLINOVUSNHTSQB-SKDRFNHKSA-N -1 0 350.327 -0.210 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C ZINC000737562672 600246575 /nfs/dbraw/zinc/24/65/75/600246575.db2.gz AOMLCILPIQRNLI-JTQLQIEISA-N -1 0 350.331 -0.273 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C ZINC000737562673 600246339 /nfs/dbraw/zinc/24/63/39/600246339.db2.gz AOMLCILPIQRNLI-SNVBAGLBSA-N -1 0 350.331 -0.273 20 0 FBADRM CNc1cc2c(nn1)CCN(S(=O)(=O)N1CCC(C(=O)[O-])CC1)C2 ZINC000737563164 600415462 /nfs/dbraw/zinc/41/54/62/600415462.db2.gz UGIKHNPHODEOBN-UHFFFAOYSA-N -1 0 355.420 -0.082 20 0 FBADRM C[C@@H](C(=O)N1CCC(O)(C(=O)[O-])CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000737564605 604749940 /nfs/dbraw/zinc/74/99/40/604749940.db2.gz ZHKULBVRWHJLEP-JTQLQIEISA-N -1 0 353.375 -0.322 20 0 FBADRM C[C@H](C(=O)N1CCC(O)(C(=O)[O-])CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000737564609 604749837 /nfs/dbraw/zinc/74/98/37/604749837.db2.gz ZHKULBVRWHJLEP-SNVBAGLBSA-N -1 0 353.375 -0.322 20 0 FBADRM COC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000737565938 600343992 /nfs/dbraw/zinc/34/39/92/600343992.db2.gz YYLBRWHAPNFNRO-SECBINFHSA-N -1 0 365.342 -0.635 20 0 FBADRM COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000737565939 600344071 /nfs/dbraw/zinc/34/40/71/600344071.db2.gz YYLBRWHAPNFNRO-VIFPVBQESA-N -1 0 365.342 -0.635 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CNC(=O)N1CCc2ccccc2C1 ZINC000737566102 600254341 /nfs/dbraw/zinc/25/43/41/600254341.db2.gz KSOZGLYYTXYMDK-CYBMUJFWSA-N -1 0 363.370 -0.113 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)N1CCc2ccccc2C1 ZINC000737566104 600254236 /nfs/dbraw/zinc/25/42/36/600254236.db2.gz KSOZGLYYTXYMDK-ZDUSSCGKSA-N -1 0 363.370 -0.113 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc(F)c(NS(C)(=O)=O)c1 ZINC000737567002 600241533 /nfs/dbraw/zinc/24/15/33/600241533.db2.gz OGFZXONIGUSSER-JTQLQIEISA-N -1 0 362.335 -0.057 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc(F)c(NS(C)(=O)=O)c1 ZINC000737567005 600241462 /nfs/dbraw/zinc/24/14/62/600241462.db2.gz OGFZXONIGUSSER-SNVBAGLBSA-N -1 0 362.335 -0.057 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000737567421 600254934 /nfs/dbraw/zinc/25/49/34/600254934.db2.gz PFGULLVSDPJWQF-LLVKDONJSA-N -1 0 360.326 -0.283 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000737567423 600254949 /nfs/dbraw/zinc/25/49/49/600254949.db2.gz PFGULLVSDPJWQF-NSHDSACASA-N -1 0 360.326 -0.283 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737567576 602533285 /nfs/dbraw/zinc/53/32/85/602533285.db2.gz HPVWMPFAGQNMMP-SECBINFHSA-N -1 0 367.406 -0.688 20 0 FBADRM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737567577 602533135 /nfs/dbraw/zinc/53/31/35/602533135.db2.gz HPVWMPFAGQNMMP-VIFPVBQESA-N -1 0 367.406 -0.688 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)Cc1cccc(NS(C)(=O)=O)c1 ZINC000737568276 600242100 /nfs/dbraw/zinc/24/21/00/600242100.db2.gz VRTDPHUSJBPBFG-LLVKDONJSA-N -1 0 358.372 -0.267 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)Cc1cccc(NS(C)(=O)=O)c1 ZINC000737568279 600241929 /nfs/dbraw/zinc/24/19/29/600241929.db2.gz VRTDPHUSJBPBFG-NSHDSACASA-N -1 0 358.372 -0.267 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC000737568614 600490224 /nfs/dbraw/zinc/49/02/24/600490224.db2.gz WAJYKZFWZPTNLG-LLVKDONJSA-N -1 0 362.342 -0.185 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC000737568616 600490275 /nfs/dbraw/zinc/49/02/75/600490275.db2.gz WAJYKZFWZPTNLG-NSHDSACASA-N -1 0 362.342 -0.185 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000737568657 600167969 /nfs/dbraw/zinc/16/79/69/600167969.db2.gz WHUZDTZROWAGJO-BDAKNGLRSA-N -1 0 355.347 -0.628 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000737568660 600167942 /nfs/dbraw/zinc/16/79/42/600167942.db2.gz WHUZDTZROWAGJO-DTWKUNHWSA-N -1 0 355.347 -0.628 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000737568662 600168124 /nfs/dbraw/zinc/16/81/24/600168124.db2.gz WHUZDTZROWAGJO-IUCAKERBSA-N -1 0 355.347 -0.628 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000737568664 600168518 /nfs/dbraw/zinc/16/85/18/600168518.db2.gz WHUZDTZROWAGJO-RKDXNWHRSA-N -1 0 355.347 -0.628 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CS(=O)(=O)NC1CCC(C)CC1 ZINC000737569104 600242171 /nfs/dbraw/zinc/24/21/71/600242171.db2.gz XPOYBOHQOCFNBN-ILDUYXDCSA-N -1 0 364.420 -0.383 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CS(=O)(=O)NC1CCC(C)CC1 ZINC000737569105 600241957 /nfs/dbraw/zinc/24/19/57/600241957.db2.gz XPOYBOHQOCFNBN-VQXHTEKXSA-N -1 0 364.420 -0.383 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)Cc1c(C)nc2c(c(=O)[nH]n2C)c1C ZINC000737569122 600258817 /nfs/dbraw/zinc/25/88/17/600258817.db2.gz XSYDPCXXZXKABW-JTQLQIEISA-N -1 0 364.358 -0.034 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)Cc1c(C)nc2c(c(=O)[nH]n2C)c1C ZINC000737569123 600258724 /nfs/dbraw/zinc/25/87/24/600258724.db2.gz XSYDPCXXZXKABW-SNVBAGLBSA-N -1 0 364.358 -0.034 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1sc(S(N)(=O)=O)cc1C ZINC000737572722 600246367 /nfs/dbraw/zinc/24/63/67/600246367.db2.gz FQLYTTLYBVZQGD-LURJTMIESA-N -1 0 350.374 -0.550 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1sc(S(N)(=O)=O)cc1C ZINC000737572725 600246452 /nfs/dbraw/zinc/24/64/52/600246452.db2.gz FQLYTTLYBVZQGD-ZCFIWIBFSA-N -1 0 350.374 -0.550 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000737572848 600721298 /nfs/dbraw/zinc/72/12/98/600721298.db2.gz GRKVYCURHYCADH-LLVKDONJSA-N -1 0 372.355 -0.062 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000737572851 600721193 /nfs/dbraw/zinc/72/11/93/600721193.db2.gz GRKVYCURHYCADH-NSHDSACASA-N -1 0 372.355 -0.062 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000737574105 600981253 /nfs/dbraw/zinc/98/12/53/600981253.db2.gz LIZCEVMZUGXTLM-JTQLQIEISA-N -1 0 369.359 -0.828 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000737574108 600981270 /nfs/dbraw/zinc/98/12/70/600981270.db2.gz LIZCEVMZUGXTLM-SNVBAGLBSA-N -1 0 369.359 -0.828 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCOCC1 ZINC000737575076 600422879 /nfs/dbraw/zinc/42/28/79/600422879.db2.gz DZMZBVFGRMHCOO-FIQHERPVSA-N -1 0 368.386 -0.702 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CCOCC1 ZINC000737575077 600422929 /nfs/dbraw/zinc/42/29/29/600422929.db2.gz DZMZBVFGRMHCOO-NNYUYHANSA-N -1 0 368.386 -0.702 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCOCC1 ZINC000737575078 600422906 /nfs/dbraw/zinc/42/29/06/600422906.db2.gz DZMZBVFGRMHCOO-NOOOWODRSA-N -1 0 368.386 -0.702 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCOCC1 ZINC000737575080 600422870 /nfs/dbraw/zinc/42/28/70/600422870.db2.gz DZMZBVFGRMHCOO-WRWGMCAJSA-N -1 0 368.386 -0.702 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCOCC1 ZINC000737575091 600422570 /nfs/dbraw/zinc/42/25/70/600422570.db2.gz FETZBAQGHPXVTE-FIQHERPVSA-N -1 0 368.386 -0.702 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CCOCC1 ZINC000737575093 600422941 /nfs/dbraw/zinc/42/29/41/600422941.db2.gz FETZBAQGHPXVTE-NNYUYHANSA-N -1 0 368.386 -0.702 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCOCC1 ZINC000737575095 600422644 /nfs/dbraw/zinc/42/26/44/600422644.db2.gz FETZBAQGHPXVTE-NOOOWODRSA-N -1 0 368.386 -0.702 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCOCC1 ZINC000737575097 600422753 /nfs/dbraw/zinc/42/27/53/600422753.db2.gz FETZBAQGHPXVTE-WRWGMCAJSA-N -1 0 368.386 -0.702 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cnn(-c2ccccn2)c1C ZINC000737575758 600981459 /nfs/dbraw/zinc/98/14/59/600981459.db2.gz QDIXREDYILNXJU-JTQLQIEISA-N -1 0 368.371 -0.130 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cnn(-c2ccccn2)c1C ZINC000737575760 600981247 /nfs/dbraw/zinc/98/12/47/600981247.db2.gz QDIXREDYILNXJU-SNVBAGLBSA-N -1 0 368.371 -0.130 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc(OC)c(N2CCNC2=O)c1 ZINC000737576582 601052453 /nfs/dbraw/zinc/05/24/53/601052453.db2.gz SRKVQZGHQHZVKW-JTQLQIEISA-N -1 0 365.342 -0.029 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc(OC)c(N2CCNC2=O)c1 ZINC000737576585 601052585 /nfs/dbraw/zinc/05/25/85/601052585.db2.gz SRKVQZGHQHZVKW-SNVBAGLBSA-N -1 0 365.342 -0.029 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 ZINC000737576686 600632745 /nfs/dbraw/zinc/63/27/45/600632745.db2.gz ULLRRAGLIHNEIL-GFCCVEGCSA-N -1 0 370.383 -0.110 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 ZINC000737576687 600632622 /nfs/dbraw/zinc/63/26/22/600632622.db2.gz ULLRRAGLIHNEIL-LBPRGKRZSA-N -1 0 370.383 -0.110 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000737577508 600168531 /nfs/dbraw/zinc/16/85/31/600168531.db2.gz XANMTUMAGQOAHD-MRVPVSSYSA-N -1 0 369.355 -0.516 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000737577509 600168464 /nfs/dbraw/zinc/16/84/64/600168464.db2.gz XANMTUMAGQOAHD-QMMMGPOBSA-N -1 0 369.355 -0.516 20 0 FBADRM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000737578123 660532178 /nfs/dbraw/zinc/53/21/78/660532178.db2.gz OFAZDIHWXNTQHY-JTQLQIEISA-N -1 0 357.432 -0.311 20 0 FBADRM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000737578129 660532175 /nfs/dbraw/zinc/53/21/75/660532175.db2.gz OFAZDIHWXNTQHY-SNVBAGLBSA-N -1 0 357.432 -0.311 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000737578411 599725076 /nfs/dbraw/zinc/72/50/76/599725076.db2.gz ZYPZMBLRGNGSID-JTQLQIEISA-N -1 0 356.360 -0.429 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000737578412 599724977 /nfs/dbraw/zinc/72/49/77/599724977.db2.gz ZYPZMBLRGNGSID-SNVBAGLBSA-N -1 0 356.360 -0.429 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000737578413 600222784 /nfs/dbraw/zinc/22/27/84/600222784.db2.gz ZYWUZAXWAROTGS-LLVKDONJSA-N -1 0 356.356 -0.733 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000737578414 600223171 /nfs/dbraw/zinc/22/31/71/600223171.db2.gz ZYWUZAXWAROTGS-NSHDSACASA-N -1 0 356.356 -0.733 20 0 FBADRM COC(=O)[C@@H]1C[C@H]1C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC000737579371 600111139 /nfs/dbraw/zinc/11/11/39/600111139.db2.gz RXNKNNSELDQKJM-GHMZBOCLSA-N -1 0 356.356 -0.203 20 0 FBADRM COC(=O)[C@H]1C[C@H]1C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC000737579372 600111223 /nfs/dbraw/zinc/11/12/23/600111223.db2.gz RXNKNNSELDQKJM-MNOVXSKESA-N -1 0 356.356 -0.203 20 0 FBADRM COC(=O)[C@H]1C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC000737579373 600111274 /nfs/dbraw/zinc/11/12/74/600111274.db2.gz RXNKNNSELDQKJM-QWRGUYRKSA-N -1 0 356.356 -0.203 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC000737579376 600111280 /nfs/dbraw/zinc/11/12/80/600111280.db2.gz RXNKNNSELDQKJM-WDEREUQCSA-N -1 0 356.356 -0.203 20 0 FBADRM COC(=O)[C@@H]1CCN(C(=O)CSCC(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000737582319 599886718 /nfs/dbraw/zinc/88/67/18/599886718.db2.gz CPLHBTILPNKETK-GHMZBOCLSA-N -1 0 358.416 -0.326 20 0 FBADRM COC(=O)[C@H]1CCN(C(=O)CSCC(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000737582322 599886648 /nfs/dbraw/zinc/88/66/48/599886648.db2.gz CPLHBTILPNKETK-MNOVXSKESA-N -1 0 358.416 -0.326 20 0 FBADRM COC(=O)[C@H]1CCN(C(=O)CSCC(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000737582324 599886688 /nfs/dbraw/zinc/88/66/88/599886688.db2.gz CPLHBTILPNKETK-QWRGUYRKSA-N -1 0 358.416 -0.326 20 0 FBADRM COC(=O)[C@@H]1CCN(C(=O)CSCC(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000737582326 599886534 /nfs/dbraw/zinc/88/65/34/599886534.db2.gz CPLHBTILPNKETK-WDEREUQCSA-N -1 0 358.416 -0.326 20 0 FBADRM COC(=O)[C@@H]1CCCN(C(=O)COCC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000737582865 600017007 /nfs/dbraw/zinc/01/70/07/600017007.db2.gz DICWLEYWUDQYRI-CHWSQXEVSA-N -1 0 370.402 -0.262 20 0 FBADRM COC(=O)[C@H]1CCCN(C(=O)COCC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000737582885 600016975 /nfs/dbraw/zinc/01/69/75/600016975.db2.gz DICWLEYWUDQYRI-OLZOCXBDSA-N -1 0 370.402 -0.262 20 0 FBADRM COC(=O)[C@@H]1CCCN(C(=O)COCC(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000737582888 600016890 /nfs/dbraw/zinc/01/68/90/600016890.db2.gz DICWLEYWUDQYRI-QWHCGFSZSA-N -1 0 370.402 -0.262 20 0 FBADRM COC(=O)[C@H]1CCCN(C(=O)COCC(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000737582889 600021397 /nfs/dbraw/zinc/02/13/97/600021397.db2.gz DICWLEYWUDQYRI-STQMWFEESA-N -1 0 370.402 -0.262 20 0 FBADRM COC(=O)C1CCN(C(=O)CN(CCN2CCOCC2)CC(=O)[O-])CC1 ZINC000737586450 600145582 /nfs/dbraw/zinc/14/55/82/600145582.db2.gz YSABDLNVAMJCEX-UHFFFAOYSA-N -1 0 371.434 -0.883 20 0 FBADRM COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCO[C@H](C(=O)[O-])C1 ZINC000737586598 600005293 /nfs/dbraw/zinc/00/52/93/600005293.db2.gz BKBQCMFDPVUCLB-CABCVRRESA-N -1 0 362.382 -0.102 20 0 FBADRM COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CCO[C@H](C(=O)[O-])C1 ZINC000737586599 600005437 /nfs/dbraw/zinc/00/54/37/600005437.db2.gz BKBQCMFDPVUCLB-GJZGRUSLSA-N -1 0 362.382 -0.102 20 0 FBADRM COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCO[C@@H](C(=O)[O-])C1 ZINC000737586600 600004979 /nfs/dbraw/zinc/00/49/79/600004979.db2.gz BKBQCMFDPVUCLB-HUUCEWRRSA-N -1 0 362.382 -0.102 20 0 FBADRM COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CCO[C@@H](C(=O)[O-])C1 ZINC000737586601 600004813 /nfs/dbraw/zinc/00/48/13/600004813.db2.gz BKBQCMFDPVUCLB-LSDHHAIUSA-N -1 0 362.382 -0.102 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(CNC(=O)[O-])cc2)CCO1 ZINC000737586652 600370125 /nfs/dbraw/zinc/37/01/25/600370125.db2.gz CNIGNGFCASNUKQ-GFCCVEGCSA-N -1 0 365.342 -0.207 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(CNC(=O)[O-])cc2)CCO1 ZINC000737586653 600370115 /nfs/dbraw/zinc/37/01/15/600370115.db2.gz CNIGNGFCASNUKQ-LBPRGKRZSA-N -1 0 365.342 -0.207 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCO1 ZINC000737586731 600320185 /nfs/dbraw/zinc/32/01/85/600320185.db2.gz FOGADJTXDGRBMV-LLVKDONJSA-N -1 0 354.290 -0.137 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCO1 ZINC000737586732 600320202 /nfs/dbraw/zinc/32/02/02/600320202.db2.gz FOGADJTXDGRBMV-NSHDSACASA-N -1 0 354.290 -0.137 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)CCO1 ZINC000737586779 600006351 /nfs/dbraw/zinc/00/63/51/600006351.db2.gz HPEDRZVOVWBUBQ-GFCCVEGCSA-N -1 0 365.342 -0.093 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)CCO1 ZINC000737586780 600006255 /nfs/dbraw/zinc/00/62/55/600006255.db2.gz HPEDRZVOVWBUBQ-LBPRGKRZSA-N -1 0 365.342 -0.093 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)CCO1 ZINC000737587220 600051286 /nfs/dbraw/zinc/05/12/86/600051286.db2.gz NCYKYVCUVPNNLV-GFCCVEGCSA-N -1 0 366.326 -0.511 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)CCO1 ZINC000737587221 600051430 /nfs/dbraw/zinc/05/14/30/600051430.db2.gz NCYKYVCUVPNNLV-LBPRGKRZSA-N -1 0 366.326 -0.511 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)CCO1 ZINC000737587349 600055688 /nfs/dbraw/zinc/05/56/88/600055688.db2.gz OTYKMALTDONQLA-GFCCVEGCSA-N -1 0 366.326 -0.511 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)CCO1 ZINC000737587350 600055613 /nfs/dbraw/zinc/05/56/13/600055613.db2.gz OTYKMALTDONQLA-LBPRGKRZSA-N -1 0 366.326 -0.511 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)CCO1 ZINC000737587498 600051518 /nfs/dbraw/zinc/05/15/18/600051518.db2.gz QHSMZSALLVZVLV-LLVKDONJSA-N -1 0 354.290 -0.137 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)CCO1 ZINC000737587499 600051474 /nfs/dbraw/zinc/05/14/74/600051474.db2.gz QHSMZSALLVZVLV-NSHDSACASA-N -1 0 354.290 -0.137 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)CCO1 ZINC000737587668 600051702 /nfs/dbraw/zinc/05/17/02/600051702.db2.gz SKCMJTOZWQUXMR-GFCCVEGCSA-N -1 0 350.327 -0.347 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)CCO1 ZINC000737587670 600051758 /nfs/dbraw/zinc/05/17/58/600051758.db2.gz SKCMJTOZWQUXMR-LBPRGKRZSA-N -1 0 350.327 -0.347 20 0 FBADRM COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000737587729 600230904 /nfs/dbraw/zinc/23/09/04/600230904.db2.gz SYLGYLOGRSCWRQ-ILXRZTDVSA-N -1 0 362.382 -0.367 20 0 FBADRM COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000737587732 600230813 /nfs/dbraw/zinc/23/08/13/600230813.db2.gz SYLGYLOGRSCWRQ-QLFBSQMISA-N -1 0 362.382 -0.367 20 0 FBADRM COC(=O)[C@@H]1CN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CCO1 ZINC000737587935 600005406 /nfs/dbraw/zinc/00/54/06/600005406.db2.gz WDYUCCJFNVEVFM-CABCVRRESA-N -1 0 362.382 -0.102 20 0 FBADRM COC(=O)[C@@H]1CN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CCO1 ZINC000737587937 600005095 /nfs/dbraw/zinc/00/50/95/600005095.db2.gz WDYUCCJFNVEVFM-GJZGRUSLSA-N -1 0 362.382 -0.102 20 0 FBADRM COC(=O)[C@H]1CN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CCO1 ZINC000737587940 600004940 /nfs/dbraw/zinc/00/49/40/600004940.db2.gz WDYUCCJFNVEVFM-HUUCEWRRSA-N -1 0 362.382 -0.102 20 0 FBADRM COC(=O)[C@H]1CN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CCO1 ZINC000737588099 600005190 /nfs/dbraw/zinc/00/51/90/600005190.db2.gz WDYUCCJFNVEVFM-LSDHHAIUSA-N -1 0 362.382 -0.102 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)NS(C)(=O)=O ZINC000737589084 602126421 /nfs/dbraw/zinc/12/64/21/602126421.db2.gz KZDRJWGBNQJXDR-UHFFFAOYSA-N -1 0 371.415 -0.304 20 0 FBADRM COC(=O)C[C@H](NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C)C(=O)[O-] ZINC000737589302 600247017 /nfs/dbraw/zinc/24/70/17/600247017.db2.gz CIWDSDOWQMIIOH-JTQLQIEISA-N -1 0 350.331 -0.273 20 0 FBADRM COC(=O)C[C@@H](NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C)C(=O)[O-] ZINC000737589304 600247019 /nfs/dbraw/zinc/24/70/19/600247019.db2.gz CIWDSDOWQMIIOH-SNVBAGLBSA-N -1 0 350.331 -0.273 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000737589749 600646235 /nfs/dbraw/zinc/64/62/35/600646235.db2.gz CVFCRLZUGVNBAC-GFCCVEGCSA-N -1 0 370.383 -0.634 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000737589756 600646113 /nfs/dbraw/zinc/64/61/13/600646113.db2.gz CVFCRLZUGVNBAC-LBPRGKRZSA-N -1 0 370.383 -0.634 20 0 FBADRM COC(=O)C[C@@H](NC(=O)c1nc(S(C)(=O)=O)n2ccccc12)C(=O)[O-] ZINC000737589971 600168628 /nfs/dbraw/zinc/16/86/28/600168628.db2.gz GAQLREMNIPQASN-MRVPVSSYSA-N -1 0 369.355 -0.516 20 0 FBADRM COC(=O)C[C@H](NC(=O)c1nc(S(C)(=O)=O)n2ccccc12)C(=O)[O-] ZINC000737589975 600168615 /nfs/dbraw/zinc/16/86/15/600168615.db2.gz GAQLREMNIPQASN-QMMMGPOBSA-N -1 0 369.355 -0.516 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC(Oc3ccccc3)C2)n(C)c1=O ZINC000737590364 598507299 /nfs/dbraw/zinc/50/72/99/598507299.db2.gz IISIPTNLXIKNLP-UHFFFAOYSA-N -1 0 355.358 -0.468 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(=O)OC ZINC000737590500 600222708 /nfs/dbraw/zinc/22/27/08/600222708.db2.gz IFEDHQXUCSMGSC-LLVKDONJSA-N -1 0 359.356 -0.091 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(=O)OC ZINC000737590501 600222377 /nfs/dbraw/zinc/22/23/77/600222377.db2.gz IFEDHQXUCSMGSC-NSHDSACASA-N -1 0 359.356 -0.091 20 0 FBADRM COC(=O)C[C@H](NC(=O)c1ccc(F)c(NS(C)(=O)=O)c1)C(=O)[O-] ZINC000737590554 600241455 /nfs/dbraw/zinc/24/14/55/600241455.db2.gz JFYBCLCROMZDIV-JTQLQIEISA-N -1 0 362.335 -0.057 20 0 FBADRM COC(=O)C[C@@H](NC(=O)c1ccc(F)c(NS(C)(=O)=O)c1)C(=O)[O-] ZINC000737590555 600241579 /nfs/dbraw/zinc/24/15/79/600241579.db2.gz JFYBCLCROMZDIV-SNVBAGLBSA-N -1 0 362.335 -0.057 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C(=O)[O-] ZINC000737590777 600223200 /nfs/dbraw/zinc/22/32/00/600223200.db2.gz HRMKXXPCZQBFBB-LLVKDONJSA-N -1 0 356.356 -0.733 20 0 FBADRM COC(=O)C[C@H](NC(=O)c1ccc(OC)c(N2CCNC2=O)c1)C(=O)[O-] ZINC000737591217 601052277 /nfs/dbraw/zinc/05/22/77/601052277.db2.gz LAPRUKVFKBBKPB-JTQLQIEISA-N -1 0 365.342 -0.029 20 0 FBADRM COC(=O)C[C@@H](NC(=O)c1ccc(OC)c(N2CCNC2=O)c1)C(=O)[O-] ZINC000737591221 601052512 /nfs/dbraw/zinc/05/25/12/601052512.db2.gz LAPRUKVFKBBKPB-SNVBAGLBSA-N -1 0 365.342 -0.029 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N(Cc2ccccn2)C2CC2)n(C)c1=O ZINC000737591531 598814836 /nfs/dbraw/zinc/81/48/36/598814836.db2.gz LGNZDOVVNYQVRH-UHFFFAOYSA-N -1 0 354.374 -0.172 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H](O)COCc2ccccc2)c1=O ZINC000737591584 598919037 /nfs/dbraw/zinc/91/90/37/598919037.db2.gz HMBHHNUENPHUCM-GFCCVEGCSA-N -1 0 358.358 -0.695 20 0 FBADRM COC(=O)C[C@@H](NC(=O)Cc1cccc(NS(C)(=O)=O)c1)C(=O)[O-] ZINC000737591992 600242336 /nfs/dbraw/zinc/24/23/36/600242336.db2.gz OUPAOISASYLDIR-LLVKDONJSA-N -1 0 358.372 -0.267 20 0 FBADRM COC(=O)C[C@H](NC(=O)Cc1cccc(NS(C)(=O)=O)c1)C(=O)[O-] ZINC000737591993 600242415 /nfs/dbraw/zinc/24/24/15/600242415.db2.gz OUPAOISASYLDIR-NSHDSACASA-N -1 0 358.372 -0.267 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(N2CCOC2=O)cc1)C(=O)[O-] ZINC000737592421 600721324 /nfs/dbraw/zinc/72/13/24/600721324.db2.gz QAHUGRLXZGNZID-LLVKDONJSA-N -1 0 372.355 -0.062 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C)C(=O)[O-] ZINC000737592505 599724994 /nfs/dbraw/zinc/72/49/94/599724994.db2.gz RISRXBYNQJGYHI-SNVBAGLBSA-N -1 0 356.360 -0.429 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC(Cc3ncc[nH]3)CC2)n(C)c1=O ZINC000737592517 598337861 /nfs/dbraw/zinc/33/78/61/598337861.db2.gz PLEHBDAHDPLDQA-UHFFFAOYSA-N -1 0 371.405 -0.554 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cnn(-c2ccccn2)c1C)C(=O)[O-] ZINC000737593092 600981510 /nfs/dbraw/zinc/98/15/10/600981510.db2.gz VPZPBEDYSVFBJT-SNVBAGLBSA-N -1 0 368.371 -0.130 20 0 FBADRM COC(=O)C[C@H](NC(=O)c1sc(S(N)(=O)=O)cc1C)C(=O)[O-] ZINC000737593611 600246778 /nfs/dbraw/zinc/24/67/78/600246778.db2.gz VYHFODJBKYILKB-LURJTMIESA-N -1 0 350.374 -0.550 20 0 FBADRM COC(=O)C[C@@H](NC(=O)c1sc(S(N)(=O)=O)cc1C)C(=O)[O-] ZINC000737593613 600247022 /nfs/dbraw/zinc/24/70/22/600247022.db2.gz VYHFODJBKYILKB-ZCFIWIBFSA-N -1 0 350.374 -0.550 20 0 FBADRM COC(=O)C[C@@H](NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)C(=O)[O-] ZINC000737593648 600254867 /nfs/dbraw/zinc/25/48/67/600254867.db2.gz WQKCEWBMTUDTIE-LLVKDONJSA-N -1 0 360.326 -0.283 20 0 FBADRM COC(=O)C[C@H](NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)C(=O)[O-] ZINC000737593649 600254882 /nfs/dbraw/zinc/25/48/82/600254882.db2.gz WQKCEWBMTUDTIE-NSHDSACASA-N -1 0 360.326 -0.283 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000737594009 600221297 /nfs/dbraw/zinc/22/12/97/600221297.db2.gz XQKLPIBRUXGXEF-GFCCVEGCSA-N -1 0 370.383 -0.422 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000737594031 600221220 /nfs/dbraw/zinc/22/12/20/600221220.db2.gz XQKLPIBRUXGXEF-LBPRGKRZSA-N -1 0 370.383 -0.422 20 0 FBADRM COC(=O)C[C@H](NC(=O)Cc1c(C)nc2c(c(=O)[nH]n2C)c1C)C(=O)[O-] ZINC000737594053 600258485 /nfs/dbraw/zinc/25/84/85/600258485.db2.gz YDTPABIDRXLLNY-JTQLQIEISA-N -1 0 364.358 -0.034 20 0 FBADRM COC(=O)C[C@@H](NC(=O)Cc1c(C)nc2c(c(=O)[nH]n2C)c1C)C(=O)[O-] ZINC000737594070 600258715 /nfs/dbraw/zinc/25/87/15/600258715.db2.gz YDTPABIDRXLLNY-SNVBAGLBSA-N -1 0 364.358 -0.034 20 0 FBADRM Cn1c(Cl)cnc1CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000737594092 598353653 /nfs/dbraw/zinc/35/36/53/598353653.db2.gz VZFJVSCGKGZYFC-UHFFFAOYSA-N -1 0 351.758 -0.737 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000737594154 599931156 /nfs/dbraw/zinc/93/11/56/599931156.db2.gz YQTBCOVAEGXONJ-LLVKDONJSA-N -1 0 370.383 -0.255 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000737594163 599931077 /nfs/dbraw/zinc/93/10/77/599931077.db2.gz YQTBCOVAEGXONJ-NSHDSACASA-N -1 0 370.383 -0.255 20 0 FBADRM Cn1c(Cn2cc(-c3nnn[n-]3)c(=O)c3ccccc32)cc(=O)n(C)c1=O ZINC000737594258 598504195 /nfs/dbraw/zinc/50/41/95/598504195.db2.gz XNSVTJQIEXCKIG-UHFFFAOYSA-N -1 0 365.353 -0.373 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC(Cn3cccn3)CC2)n(C)c1=O ZINC000737594315 598338200 /nfs/dbraw/zinc/33/82/00/598338200.db2.gz XYIAGXQYHQDEAW-UHFFFAOYSA-N -1 0 371.405 -0.623 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N(Cc2cccnc2)C2CC2)n(C)c1=O ZINC000737594373 598815495 /nfs/dbraw/zinc/81/54/95/598815495.db2.gz YRZZXHHBNOEXRH-UHFFFAOYSA-N -1 0 354.374 -0.172 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCCOC[C@@H]2CCOC2)n(C)c1=O ZINC000737594813 598974086 /nfs/dbraw/zinc/97/40/86/598974086.db2.gz ATZJQLHVEKLAQW-JTQLQIEISA-N -1 0 365.394 -0.881 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCCOC[C@H]2CCOC2)n(C)c1=O ZINC000737594814 598974027 /nfs/dbraw/zinc/97/40/27/598974027.db2.gz ATZJQLHVEKLAQW-SNVBAGLBSA-N -1 0 365.394 -0.881 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H](CCO)c2ccccc2)n(C)c1=O ZINC000737594887 598978345 /nfs/dbraw/zinc/97/83/45/598978345.db2.gz DDXGGEPWNVJSFL-LLVKDONJSA-N -1 0 357.374 -0.200 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(Nc2cnn(CC(F)(F)F)c2)n(C)c1=O ZINC000737595065 599304015 /nfs/dbraw/zinc/30/40/15/599304015.db2.gz DZERBJBTWTWWQM-UHFFFAOYSA-N -1 0 371.283 -0.234 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H](CO)c2ccc(F)cc2)n(C)c1=O ZINC000737595087 599172014 /nfs/dbraw/zinc/17/20/14/599172014.db2.gz FPWUBJFMBNBHTN-JTQLQIEISA-N -1 0 361.337 -0.451 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H](CO)c2ccc(F)cc2)n(C)c1=O ZINC000737595088 599171459 /nfs/dbraw/zinc/17/14/59/599171459.db2.gz FPWUBJFMBNBHTN-SNVBAGLBSA-N -1 0 361.337 -0.451 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(Nc2ccc(OCCO)cc2)n(C)c1=O ZINC000737595134 598787787 /nfs/dbraw/zinc/78/77/87/598787787.db2.gz HFUZYQYKHQIKNX-UHFFFAOYSA-N -1 0 359.346 -0.621 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H]2c3ccccc3C[C@H]2O)n(C)c1=O ZINC000737595135 598373050 /nfs/dbraw/zinc/37/30/50/598373050.db2.gz HHZIHELBZXHGGC-PWSUYJOCSA-N -1 0 355.358 -0.666 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2CCN(c3ccccc3)C2)n(C)c1=O ZINC000737595137 598388255 /nfs/dbraw/zinc/38/82/55/598388255.db2.gz HJIPBLVNIKYIGA-LLVKDONJSA-N -1 0 368.401 -0.045 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H]2CCN(c3ccccc3)C2)n(C)c1=O ZINC000737595138 598388209 /nfs/dbraw/zinc/38/82/09/598388209.db2.gz HJIPBLVNIKYIGA-NSHDSACASA-N -1 0 368.401 -0.045 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCc3ccc(O)cc3CC2)n(C)c1=O ZINC000737595144 598374585 /nfs/dbraw/zinc/37/45/85/598374585.db2.gz HPCCIMNZBJVRTP-UHFFFAOYSA-N -1 0 369.385 -0.425 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@@H](CCO)c2ccccc2)n(C)c1=O ZINC000737595156 598973981 /nfs/dbraw/zinc/97/39/81/598973981.db2.gz HQRAYXBPQCRLLE-GFCCVEGCSA-N -1 0 371.401 -0.158 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@H](CCO)c2ccccc2)n(C)c1=O ZINC000737595158 598974170 /nfs/dbraw/zinc/97/41/70/598974170.db2.gz HQRAYXBPQCRLLE-LBPRGKRZSA-N -1 0 371.401 -0.158 20 0 FBADRM COC(=O)CCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000737595321 600337431 /nfs/dbraw/zinc/33/74/31/600337431.db2.gz AOAGFSDYEFUZOV-GFCCVEGCSA-N -1 0 350.327 -0.065 20 0 FBADRM COC(=O)CCCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000737595322 600337447 /nfs/dbraw/zinc/33/74/47/600337447.db2.gz AOAGFSDYEFUZOV-LBPRGKRZSA-N -1 0 350.327 -0.065 20 0 FBADRM Cn1c2ccc(Nc3c(-c4nnn[n-]4)c(=O)n(C)c(=O)n3C)cc2oc1=O ZINC000737595607 598602522 /nfs/dbraw/zinc/60/25/22/598602522.db2.gz IYCAMRRPGVGFPA-UHFFFAOYSA-N -1 0 370.329 -0.547 20 0 FBADRM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](c3ncc[nH]3)C2)n(C)c1=O ZINC000737595760 598523135 /nfs/dbraw/zinc/52/31/35/598523135.db2.gz LAUAQEVGJCTRNN-SECBINFHSA-N -1 0 357.378 -0.629 20 0 FBADRM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](c3ncc[nH]3)C2)n(C)c1=O ZINC000737595765 598523618 /nfs/dbraw/zinc/52/36/18/598523618.db2.gz LAUAQEVGJCTRNN-VIFPVBQESA-N -1 0 357.378 -0.629 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC[C@H]2Cn2cccn2)n(C)c1=O ZINC000737595836 598338454 /nfs/dbraw/zinc/33/84/54/598338454.db2.gz LSAVGBKTPIXTPW-JTQLQIEISA-N -1 0 357.378 -0.870 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC[C@@H]2Cn2cccn2)n(C)c1=O ZINC000737595841 598337960 /nfs/dbraw/zinc/33/79/60/598337960.db2.gz LSAVGBKTPIXTPW-SNVBAGLBSA-N -1 0 357.378 -0.870 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCc2ccc3c(c2)CCO3)n(C)c1=O ZINC000737596337 598248652 /nfs/dbraw/zinc/24/86/52/598248652.db2.gz MJLJKMWTGXCORP-UHFFFAOYSA-N -1 0 355.358 -0.189 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCc2cccc3c2OCCO3)n(C)c1=O ZINC000737596347 598567481 /nfs/dbraw/zinc/56/74/81/598567481.db2.gz MOHDLJUWCDRHPH-UHFFFAOYSA-N -1 0 371.357 -0.353 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCC[S@](=O)C(C)(C)C)n(C)c1=O ZINC000737596370 599206655 /nfs/dbraw/zinc/20/66/55/599206655.db2.gz MQOOSEIKDAFMDZ-DEOSSOPVSA-N -1 0 355.424 -0.777 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCC[S@@](=O)C(C)(C)C)n(C)c1=O ZINC000737596372 599206233 /nfs/dbraw/zinc/20/62/33/599206233.db2.gz MQOOSEIKDAFMDZ-XMMPIXPASA-N -1 0 355.424 -0.777 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC[C@H](n3ccnc3)C2)n(C)c1=O ZINC000737596401 598673338 /nfs/dbraw/zinc/67/33/38/598673338.db2.gz NCZBOFAVRCDYDR-JTQLQIEISA-N -1 0 357.378 -0.698 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC[C@@H](n3ccnc3)C2)n(C)c1=O ZINC000737596402 598673378 /nfs/dbraw/zinc/67/33/78/598673378.db2.gz NCZBOFAVRCDYDR-SNVBAGLBSA-N -1 0 357.378 -0.698 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(Oc2ccc(-n3cncn3)cc2)n(C)c1=O ZINC000737596409 599527437 /nfs/dbraw/zinc/52/74/37/599527437.db2.gz NGRSLARARMJMQO-UHFFFAOYSA-N -1 0 367.329 -0.363 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCC2(O)Cc3ccccc3C2)n(C)c1=O ZINC000737596429 599535280 /nfs/dbraw/zinc/53/52/80/599535280.db2.gz NRNCLHDAPUJPHI-UHFFFAOYSA-N -1 0 369.385 -0.794 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCc3ccccc3CC2)n(C)c1=O ZINC000737596485 599171565 /nfs/dbraw/zinc/17/15/65/599171565.db2.gz ODMBFSDNHPUKCX-UHFFFAOYSA-N -1 0 353.386 -0.131 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCCCNc2ccccn2)n(C)c1=O ZINC000737596898 598374135 /nfs/dbraw/zinc/37/41/35/598374135.db2.gz OGOUKAHXTOQUEF-UHFFFAOYSA-N -1 0 371.405 -0.037 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[C@@H](Nc3ccccc3)C2)n(C)c1=O ZINC000737596951 598374706 /nfs/dbraw/zinc/37/47/06/598374706.db2.gz OYMZXQKDMPBUPT-GFCCVEGCSA-N -1 0 368.401 -0.045 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[C@H](Nc3ccccc3)C2)n(C)c1=O ZINC000737596955 598374697 /nfs/dbraw/zinc/37/46/97/598374697.db2.gz OYMZXQKDMPBUPT-LBPRGKRZSA-N -1 0 368.401 -0.045 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCc2cn3c(n2)CCCC3)n(C)c1=O ZINC000737597172 598395352 /nfs/dbraw/zinc/39/53/52/598395352.db2.gz QWTXMFFEBLFNPG-UHFFFAOYSA-N -1 0 357.378 -0.591 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCc2ccc3c(c2)CCO3)n(C)c1=O ZINC000737597187 598914863 /nfs/dbraw/zinc/91/48/63/598914863.db2.gz RHCPLKFUDDETOL-UHFFFAOYSA-N -1 0 369.385 -0.146 20 0 FBADRM COC(=O)C[C@H](NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)[O-] ZINC000737597437 600168612 /nfs/dbraw/zinc/16/86/12/600168612.db2.gz JHSNPCXRKWEMHQ-BDAKNGLRSA-N -1 0 355.347 -0.628 20 0 FBADRM COC(=O)C[C@@H](NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)[O-] ZINC000737597438 600168526 /nfs/dbraw/zinc/16/85/26/600168526.db2.gz JHSNPCXRKWEMHQ-DTWKUNHWSA-N -1 0 355.347 -0.628 20 0 FBADRM COC(=O)C[C@H](NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)[O-] ZINC000737597439 600168592 /nfs/dbraw/zinc/16/85/92/600168592.db2.gz JHSNPCXRKWEMHQ-IUCAKERBSA-N -1 0 355.347 -0.628 20 0 FBADRM COC(=O)C[C@@H](NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)[O-] ZINC000737597440 600168637 /nfs/dbraw/zinc/16/86/37/600168637.db2.gz JHSNPCXRKWEMHQ-RKDXNWHRSA-N -1 0 355.347 -0.628 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@](C)(O)c2ccccc2)n(C)c1=O ZINC000737597541 598914764 /nfs/dbraw/zinc/91/47/64/598914764.db2.gz RWOSMXRIGTZHHP-INIZCTEOSA-N -1 0 357.374 -0.416 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@@](C)(O)c2ccccc2)n(C)c1=O ZINC000737597549 598914949 /nfs/dbraw/zinc/91/49/49/598914949.db2.gz RWOSMXRIGTZHHP-MRXNPFEDSA-N -1 0 357.374 -0.416 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(Nc2cnn(CC(F)F)c2)n(C)c1=O ZINC000737597592 599206696 /nfs/dbraw/zinc/20/66/96/599206696.db2.gz SOKUHIWGZFGRCJ-UHFFFAOYSA-N -1 0 353.293 -0.531 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCCN2CCCCC2=O)n(C)c1=O ZINC000737597603 598386685 /nfs/dbraw/zinc/38/66/85/598386685.db2.gz SUJHLIWBCCWWBD-UHFFFAOYSA-N -1 0 362.394 -0.921 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(Oc2cccc(-n3cncn3)c2)n(C)c1=O ZINC000737597617 599472893 /nfs/dbraw/zinc/47/28/93/599472893.db2.gz SXFIYQAFDBLPRO-UHFFFAOYSA-N -1 0 367.329 -0.363 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCO[C@H](C(F)(F)F)C2)n(C)c1=O ZINC000737597653 598855984 /nfs/dbraw/zinc/85/59/84/598855984.db2.gz UANVKABSPZPKEB-LURJTMIESA-N -1 0 361.284 -0.968 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCO[C@@H](C(F)(F)F)C2)n(C)c1=O ZINC000737597656 598856071 /nfs/dbraw/zinc/85/60/71/598856071.db2.gz UANVKABSPZPKEB-ZCFIWIBFSA-N -1 0 361.284 -0.968 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCc2cc3c([nH]c2=O)CCC3)n(C)c1=O ZINC000737597668 598817569 /nfs/dbraw/zinc/81/75/69/598817569.db2.gz UDXCDJDLDGQMBD-UHFFFAOYSA-N -1 0 370.373 -0.535 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@H](O)Cc2ccccc2)n(C)c1=O ZINC000737597747 598798051 /nfs/dbraw/zinc/79/80/51/598798051.db2.gz UNLWXBOGVWNAOF-LLVKDONJSA-N -1 0 357.374 -0.720 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@@H](O)Cc2ccccc2)n(C)c1=O ZINC000737597750 598798072 /nfs/dbraw/zinc/79/80/72/598798072.db2.gz UNLWXBOGVWNAOF-NSHDSACASA-N -1 0 357.374 -0.720 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(Nc2ccc3c(c2)CC(=O)N3)n(C)c1=O ZINC000737597777 598870491 /nfs/dbraw/zinc/87/04/91/598870491.db2.gz URPDDZABQVKEIP-UHFFFAOYSA-N -1 0 354.330 -0.498 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@](C)(O)c2cccs2)n(C)c1=O ZINC000737597810 598857184 /nfs/dbraw/zinc/85/71/84/598857184.db2.gz VCHDHESODYIWSK-AWEZNQCLSA-N -1 0 363.403 -0.355 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@@](C)(O)c2cccs2)n(C)c1=O ZINC000737597811 598859101 /nfs/dbraw/zinc/85/91/01/598859101.db2.gz VCHDHESODYIWSK-CQSZACIVSA-N -1 0 363.403 -0.355 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@](C)(O)c2ccsc2)n(C)c1=O ZINC000737597817 598977109 /nfs/dbraw/zinc/97/71/09/598977109.db2.gz VKDBXBIPIGDGIZ-AWEZNQCLSA-N -1 0 363.403 -0.355 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@@](C)(O)c2ccsc2)n(C)c1=O ZINC000737597818 598976993 /nfs/dbraw/zinc/97/69/93/598976993.db2.gz VKDBXBIPIGDGIZ-CQSZACIVSA-N -1 0 363.403 -0.355 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H](CCO)c2cccs2)n(C)c1=O ZINC000737598015 598976742 /nfs/dbraw/zinc/97/67/42/598976742.db2.gz WBWXWXIXLOJXTN-MRVPVSSYSA-N -1 0 363.403 -0.139 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H](CCO)c2cccs2)n(C)c1=O ZINC000737598017 598977080 /nfs/dbraw/zinc/97/70/80/598977080.db2.gz WBWXWXIXLOJXTN-QMMMGPOBSA-N -1 0 363.403 -0.139 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(Nc2cnn(-c3ccccn3)c2)n(C)c1=O ZINC000737598069 598856958 /nfs/dbraw/zinc/85/69/58/598856958.db2.gz XLKSPOLNNPZSJV-UHFFFAOYSA-N -1 0 366.345 -0.412 20 0 FBADRM Cn1c(NCCc2cccc(C(N)=O)c2)c(-c2nnn[n-]2)c(=O)n(C)c1=O ZINC000737598075 598355044 /nfs/dbraw/zinc/35/50/44/598355044.db2.gz YAZMGXMQXRYCPR-UHFFFAOYSA-N -1 0 370.373 -0.982 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H](CO)c2cccc(F)c2)n(C)c1=O ZINC000737598091 599170297 /nfs/dbraw/zinc/17/02/97/599170297.db2.gz YOTXUGJDFOBGHH-JTQLQIEISA-N -1 0 361.337 -0.451 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H](CO)c2cccc(F)c2)n(C)c1=O ZINC000737598093 599169726 /nfs/dbraw/zinc/16/97/26/599169726.db2.gz YOTXUGJDFOBGHH-SNVBAGLBSA-N -1 0 361.337 -0.451 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H](CO)Cc2ccccc2)n(C)c1=O ZINC000737598123 598809948 /nfs/dbraw/zinc/80/99/48/598809948.db2.gz ZCKVQNCJOWCPMW-LLVKDONJSA-N -1 0 357.374 -0.720 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H](CO)Cc2ccccc2)n(C)c1=O ZINC000737598125 598810205 /nfs/dbraw/zinc/81/02/05/598810205.db2.gz ZCKVQNCJOWCPMW-NSHDSACASA-N -1 0 357.374 -0.720 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@H]2OCCc3ccccc32)n(C)c1=O ZINC000737598137 598817882 /nfs/dbraw/zinc/81/78/82/598817882.db2.gz ZFPUEBHTKHTNDE-GFCCVEGCSA-N -1 0 369.385 -0.010 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@@H]2OCCc3ccccc32)n(C)c1=O ZINC000737598140 598817719 /nfs/dbraw/zinc/81/77/19/598817719.db2.gz ZFPUEBHTKHTNDE-LBPRGKRZSA-N -1 0 369.385 -0.010 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCC(=O)Nc2ccccc2)n(C)c1=O ZINC000737598173 598830469 /nfs/dbraw/zinc/83/04/69/598830469.db2.gz ZTPFWQJKKAGKEH-UHFFFAOYSA-N -1 0 370.373 -0.295 20 0 FBADRM CC(C)(NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)[O-] ZINC000737598245 660533983 /nfs/dbraw/zinc/53/39/83/660533983.db2.gz FIKDNDHHBJLAAA-UHFFFAOYSA-N -1 0 369.399 -0.600 20 0 FBADRM COC(=O)C[C@H](NC(=O)CS(=O)(=O)NC1CCC(C)CC1)C(=O)[O-] ZINC000737598589 600242528 /nfs/dbraw/zinc/24/25/28/600242528.db2.gz QUZHDIVSZICBFO-ILDUYXDCSA-N -1 0 364.420 -0.383 20 0 FBADRM COC(=O)C[C@@H](NC(=O)CS(=O)(=O)NC1CCC(C)CC1)C(=O)[O-] ZINC000737598591 600242584 /nfs/dbraw/zinc/24/25/84/600242584.db2.gz QUZHDIVSZICBFO-VQXHTEKXSA-N -1 0 364.420 -0.383 20 0 FBADRM COC(=O)C[C@@H](NC(=O)CNC(=O)N1CCc2ccccc2C1)C(=O)[O-] ZINC000737599571 600254938 /nfs/dbraw/zinc/25/49/38/600254938.db2.gz VQQBYTBNDLNPRE-CYBMUJFWSA-N -1 0 363.370 -0.113 20 0 FBADRM COC(=O)C[C@H](NC(=O)CNC(=O)N1CCc2ccccc2C1)C(=O)[O-] ZINC000737599573 600254966 /nfs/dbraw/zinc/25/49/66/600254966.db2.gz VQQBYTBNDLNPRE-ZDUSSCGKSA-N -1 0 363.370 -0.113 20 0 FBADRM COC(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000737599964 600333212 /nfs/dbraw/zinc/33/32/12/600333212.db2.gz YZJUHXFYTVJKPT-UHFFFAOYSA-N -1 0 351.315 -0.881 20 0 FBADRM COC(=O)C[C@@H](NC(=O)CCNC(=O)c1[nH]nc2ccccc21)C(=O)[O-] ZINC000737600263 600490302 /nfs/dbraw/zinc/49/03/02/600490302.db2.gz ZRKHOPWKGZRTTE-LLVKDONJSA-N -1 0 362.342 -0.185 20 0 FBADRM COC(=O)C[C@H](NC(=O)CCNC(=O)c1[nH]nc2ccccc21)C(=O)[O-] ZINC000737600265 600490211 /nfs/dbraw/zinc/49/02/11/600490211.db2.gz ZRKHOPWKGZRTTE-NSHDSACASA-N -1 0 362.342 -0.185 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)ccc1=O ZINC000737601402 598799384 /nfs/dbraw/zinc/79/93/84/598799384.db2.gz DGDFXVBXIJNZEH-UHFFFAOYSA-N -1 0 374.382 -0.175 20 0 FBADRM Cn1cc(CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000737601662 598306965 /nfs/dbraw/zinc/30/69/65/598306965.db2.gz BIWSPVDQIQMRHN-UHFFFAOYSA-N -1 0 361.387 -0.211 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000737602383 600008813 /nfs/dbraw/zinc/00/88/13/600008813.db2.gz DABQEPHFUATBPM-UHFFFAOYSA-N -1 0 355.347 -0.673 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000737603001 599751604 /nfs/dbraw/zinc/75/16/04/599751604.db2.gz GQQRAPUOOBIAPX-GHMZBOCLSA-N -1 0 354.359 -0.362 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000737603003 599751601 /nfs/dbraw/zinc/75/16/01/599751601.db2.gz GQQRAPUOOBIAPX-PHIMTYICSA-N -1 0 354.359 -0.362 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000737603005 599751657 /nfs/dbraw/zinc/75/16/57/599751657.db2.gz GQQRAPUOOBIAPX-QWRGUYRKSA-N -1 0 354.359 -0.362 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCCS(=O)(=O)N1CCCC1 ZINC000737603540 600010471 /nfs/dbraw/zinc/01/04/71/600010471.db2.gz JZOACHHJSZTMMP-UHFFFAOYSA-N -1 0 350.393 -0.722 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000737603603 600008820 /nfs/dbraw/zinc/00/88/20/600008820.db2.gz FMAPOWPHLJPNMM-SECBINFHSA-N -1 0 355.347 -0.674 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000737603609 600008723 /nfs/dbraw/zinc/00/87/23/600008723.db2.gz FMAPOWPHLJPNMM-VIFPVBQESA-N -1 0 355.347 -0.674 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)C1CCN(Cc2nccn2C)CC1 ZINC000737603663 600008774 /nfs/dbraw/zinc/00/87/74/600008774.db2.gz LFDFGHKLKVWOAF-UHFFFAOYSA-N -1 0 352.391 -0.282 20 0 FBADRM Cn1cc([C@@H]2CCCN2c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)cn1 ZINC000737603847 598675311 /nfs/dbraw/zinc/67/53/11/598675311.db2.gz FCXYQTNUKAEFGT-JTQLQIEISA-N -1 0 357.378 -0.661 20 0 FBADRM Cn1cc([C@H]2CCCN2c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)cn1 ZINC000737603848 598674995 /nfs/dbraw/zinc/67/49/95/598674995.db2.gz FCXYQTNUKAEFGT-SNVBAGLBSA-N -1 0 357.378 -0.661 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000737604362 599751527 /nfs/dbraw/zinc/75/15/27/599751527.db2.gz DJGBLYJCLBFAMX-UHFFFAOYSA-N -1 0 369.374 -0.331 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000737604444 599751695 /nfs/dbraw/zinc/75/16/95/599751695.db2.gz FFMGMDPAUAMZTD-UHFFFAOYSA-N -1 0 355.347 -0.673 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000737604453 599754118 /nfs/dbraw/zinc/75/41/18/599754118.db2.gz KVUWSSYUPCVFBL-MRVPVSSYSA-N -1 0 364.401 -0.499 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000737604456 599753949 /nfs/dbraw/zinc/75/39/49/599753949.db2.gz KVUWSSYUPCVFBL-QMMMGPOBSA-N -1 0 364.401 -0.499 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000737604474 600007555 /nfs/dbraw/zinc/00/75/55/600007555.db2.gz FUVKOVGPRFQSJT-UHFFFAOYSA-N -1 0 363.414 -0.110 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CS(=O)(=O)NC1CCC(C)CC1 ZINC000737604476 600068307 /nfs/dbraw/zinc/06/83/07/600068307.db2.gz FVQGBDLTLCZGJI-UHFFFAOYSA-N -1 0 364.420 -0.429 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCNS(=O)(=O)c1ccccc1 ZINC000737604757 600008905 /nfs/dbraw/zinc/00/89/05/600008905.db2.gz PSJYGFGJBVDLTO-UHFFFAOYSA-N -1 0 358.372 -0.559 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCN1C(=O)COc2ccccc21 ZINC000737604760 599751548 /nfs/dbraw/zinc/75/15/48/599751548.db2.gz PSQCPESLDUKIEJ-UHFFFAOYSA-N -1 0 350.327 -0.112 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H]1CN(C(C)=O)c2ccccc2O1 ZINC000737604806 600008103 /nfs/dbraw/zinc/00/81/03/600008103.db2.gz QJBJQEAINWEZDZ-CYBMUJFWSA-N -1 0 350.327 -0.113 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1 ZINC000737604807 600007972 /nfs/dbraw/zinc/00/79/72/600007972.db2.gz QJBJQEAINWEZDZ-ZDUSSCGKSA-N -1 0 350.327 -0.113 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000737604882 599750716 /nfs/dbraw/zinc/75/07/16/599750716.db2.gz GYTVORUHABZTEF-UHFFFAOYSA-N -1 0 358.372 -0.607 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000737604889 600771979 /nfs/dbraw/zinc/77/19/79/600771979.db2.gz SOTBSBBHKIBZQP-AWEZNQCLSA-N -1 0 350.371 -0.026 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000737604890 600771846 /nfs/dbraw/zinc/77/18/46/600771846.db2.gz SOTBSBBHKIBZQP-CQSZACIVSA-N -1 0 350.371 -0.026 20 0 FBADRM Cn1cc(CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000737604899 598307079 /nfs/dbraw/zinc/30/70/79/598307079.db2.gz QGTQLKXCSDUORH-UHFFFAOYSA-N -1 0 361.387 -0.211 20 0 FBADRM Cn1cc(CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[nH]n2)cn1 ZINC000737604975 598306906 /nfs/dbraw/zinc/30/69/06/598306906.db2.gz RHFAAYHOQWFWOX-UHFFFAOYSA-N -1 0 361.387 -0.211 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)Cc1c(C)nc2c(c(=O)[nH]n2C)c1C ZINC000737604979 600259322 /nfs/dbraw/zinc/25/93/22/600259322.db2.gz IONCXQZJLVYXBA-UHFFFAOYSA-N -1 0 364.358 -0.081 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CN1c2ccccc2OCCC1=O ZINC000737604987 600009519 /nfs/dbraw/zinc/00/95/19/600009519.db2.gz IQCVOWZCYJUAHN-UHFFFAOYSA-N -1 0 350.327 -0.112 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)Cc1c(C)nc(-c2ccncc2)[nH]c1=O ZINC000737605041 600010338 /nfs/dbraw/zinc/01/03/38/600010338.db2.gz JLDWMEFBRPBJDP-UHFFFAOYSA-N -1 0 374.353 -0.231 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 ZINC000737605053 599753914 /nfs/dbraw/zinc/75/39/14/599753914.db2.gz JMXXAJPFEFWGDJ-UHFFFAOYSA-N -1 0 363.326 -0.422 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CNC(=O)N1CCc2ccccc2C1 ZINC000737605056 600175570 /nfs/dbraw/zinc/17/55/70/600175570.db2.gz JNLWLBVSKBNVIF-UHFFFAOYSA-N -1 0 363.370 -0.160 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCNS(=O)(=O)c1cccs1 ZINC000737605217 600009459 /nfs/dbraw/zinc/00/94/59/600009459.db2.gz UTDJUAZLUUFRGU-UHFFFAOYSA-N -1 0 364.401 -0.497 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC000737605257 600492533 /nfs/dbraw/zinc/49/25/33/600492533.db2.gz WCGZEYVLRVZRNS-UHFFFAOYSA-N -1 0 362.342 -0.231 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CN1CCN(c2ccccn2)CC1 ZINC000737605383 600682541 /nfs/dbraw/zinc/68/25/41/600682541.db2.gz KZANQKVTOLWVTD-UHFFFAOYSA-N -1 0 350.375 -0.710 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000737605408 599751209 /nfs/dbraw/zinc/75/12/09/599751209.db2.gz LLARAAATRSPXRV-UHFFFAOYSA-N -1 0 363.326 -0.422 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCn1cnc2sccc2c1=O ZINC000737605487 600009488 /nfs/dbraw/zinc/00/94/88/600009488.db2.gz MWYHFSSCQKRQRF-UHFFFAOYSA-N -1 0 353.356 -0.066 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC000737605613 599754013 /nfs/dbraw/zinc/75/40/13/599754013.db2.gz QZTSMDNFIMHFKN-JTQLQIEISA-N -1 0 362.342 -0.589 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 ZINC000737605614 599754109 /nfs/dbraw/zinc/75/41/09/599754109.db2.gz QZTSMDNFIMHFKN-SNVBAGLBSA-N -1 0 362.342 -0.589 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000737605748 600008890 /nfs/dbraw/zinc/00/88/90/600008890.db2.gz YQLZXHCPDBJZMQ-UHFFFAOYSA-N -1 0 372.399 -0.250 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CNC(=O)NCc1ccc(C)cc1 ZINC000737605844 600009543 /nfs/dbraw/zinc/00/95/43/600009543.db2.gz RACLLOJTPCKACR-UHFFFAOYSA-N -1 0 351.359 -0.120 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CNC(=O)NCc1ccc(F)cc1 ZINC000737605927 600010025 /nfs/dbraw/zinc/01/00/25/600010025.db2.gz SMCUIJZSYUUKJS-UHFFFAOYSA-N -1 0 355.322 -0.289 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C ZINC000737606013 600007581 /nfs/dbraw/zinc/00/75/81/600007581.db2.gz UMZWFIUHIWVTHV-UHFFFAOYSA-N -1 0 350.331 -0.320 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CSc1nnnn1C1CCCC1 ZINC000737606016 599753896 /nfs/dbraw/zinc/75/38/96/599753896.db2.gz UNHGEFYKEIOSAJ-UHFFFAOYSA-N -1 0 357.392 -0.034 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000737606246 600171403 /nfs/dbraw/zinc/17/14/03/600171403.db2.gz VAMFWAWKXPBWCR-UHFFFAOYSA-N -1 0 369.374 -0.427 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)Cc1cccc(NS(C)(=O)=O)c1 ZINC000737606264 600010166 /nfs/dbraw/zinc/01/01/66/600010166.db2.gz VQIICUFMAHVIOM-UHFFFAOYSA-N -1 0 358.372 -0.313 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000737606290 599751106 /nfs/dbraw/zinc/75/11/06/599751106.db2.gz WPRBJKJUDRIBEL-JTQLQIEISA-N -1 0 350.327 -0.113 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CN1c2ccccc2O[C@H](C)C1=O ZINC000737606291 599751255 /nfs/dbraw/zinc/75/12/55/599751255.db2.gz WPRBJKJUDRIBEL-SNVBAGLBSA-N -1 0 350.327 -0.113 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000737606302 600008273 /nfs/dbraw/zinc/00/82/73/600008273.db2.gz YBBYXZHVFXTFMM-GFCCVEGCSA-N -1 0 362.342 -0.807 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000737606303 600008433 /nfs/dbraw/zinc/00/84/33/600008433.db2.gz YBBYXZHVFXTFMM-LBPRGKRZSA-N -1 0 362.342 -0.807 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CNS(=O)(=O)c1cccs1 ZINC000737606308 599754064 /nfs/dbraw/zinc/75/40/64/599754064.db2.gz XEUGNFROMVYHAI-UHFFFAOYSA-N -1 0 350.374 -0.887 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000737606322 600010376 /nfs/dbraw/zinc/01/03/76/600010376.db2.gz XNDSSPHRRYWMOV-UHFFFAOYSA-N -1 0 350.374 -0.976 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000737606467 599751967 /nfs/dbraw/zinc/75/19/67/599751967.db2.gz ZIMSGQBSGWZUIZ-HWPZZCPQSA-N -1 0 369.374 -0.427 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000737606468 599751968 /nfs/dbraw/zinc/75/19/68/599751968.db2.gz ZIMSGQBSGWZUIZ-MGPLVRAMSA-N -1 0 369.374 -0.427 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000737606470 599752045 /nfs/dbraw/zinc/75/20/45/599752045.db2.gz ZIMSGQBSGWZUIZ-QFYYESIMSA-N -1 0 369.374 -0.427 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000737606472 599752011 /nfs/dbraw/zinc/75/20/11/599752011.db2.gz ZIMSGQBSGWZUIZ-QLJPJBMISA-N -1 0 369.374 -0.427 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC000737606479 600007422 /nfs/dbraw/zinc/00/74/22/600007422.db2.gz ZOYTYKPVAWHVBO-UHFFFAOYSA-N -1 0 358.372 -0.647 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(F)c(NS(C)(=O)=O)c1 ZINC000737608323 600009195 /nfs/dbraw/zinc/00/91/95/600009195.db2.gz BAIRHQXCPBIVHF-UHFFFAOYSA-N -1 0 362.335 -0.103 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(CCNS(C)(=O)=O)cc1 ZINC000737608387 600010254 /nfs/dbraw/zinc/01/02/54/600010254.db2.gz FIKZEQFFAOOKNW-UHFFFAOYSA-N -1 0 372.399 -0.522 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000737608394 599754061 /nfs/dbraw/zinc/75/40/61/599754061.db2.gz FWQAGGBSVDDVDV-UHFFFAOYSA-N -1 0 370.383 -0.173 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000737608452 600008530 /nfs/dbraw/zinc/00/85/30/600008530.db2.gz GPCFHEWFKAMUKG-UHFFFAOYSA-N -1 0 374.371 -0.236 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000737608561 600009138 /nfs/dbraw/zinc/00/91/38/600009138.db2.gz JJFGAELOVVDBMT-UHFFFAOYSA-N -1 0 363.326 -0.562 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000737608595 599751120 /nfs/dbraw/zinc/75/11/20/599751120.db2.gz KHNPPRCSVVLXLS-UHFFFAOYSA-N -1 0 370.383 -0.074 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(OC)c(N2CCNC2=O)c1 ZINC000737608613 601058387 /nfs/dbraw/zinc/05/83/87/601058387.db2.gz KNKRCMUDRKTMRU-UHFFFAOYSA-N -1 0 365.342 -0.075 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000737608773 660534382 /nfs/dbraw/zinc/53/43/82/660534382.db2.gz MDLATBWHBRPENM-UHFFFAOYSA-N -1 0 358.372 -0.363 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000737608825 599751182 /nfs/dbraw/zinc/75/11/82/599751182.db2.gz OIABNPXBYHWAAP-UHFFFAOYSA-N -1 0 370.383 -0.074 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000737608962 600007471 /nfs/dbraw/zinc/00/74/71/600007471.db2.gz QAVPBGYUXHEMON-UHFFFAOYSA-N -1 0 359.338 -0.009 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000737608970 600666269 /nfs/dbraw/zinc/66/62/69/600666269.db2.gz QFPMTLYOKQCIAC-GFCCVEGCSA-N -1 0 362.338 -0.408 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000737608971 600666292 /nfs/dbraw/zinc/66/62/92/600666292.db2.gz QFPMTLYOKQCIAC-LBPRGKRZSA-N -1 0 362.338 -0.408 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000737609271 599751076 /nfs/dbraw/zinc/75/10/76/599751076.db2.gz VRKMBWFIUWDDTO-UHFFFAOYSA-N -1 0 374.371 -0.432 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000737609292 600009778 /nfs/dbraw/zinc/00/97/78/600009778.db2.gz WPJCKGSZMFPAKF-UHFFFAOYSA-N -1 0 363.326 -0.562 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000737609301 600011203 /nfs/dbraw/zinc/01/12/03/600011203.db2.gz WXKIRICOPMTCLE-UHFFFAOYSA-N -1 0 363.326 -0.456 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000737609328 599751097 /nfs/dbraw/zinc/75/10/97/599751097.db2.gz XXNYAXRWUBVZJR-UHFFFAOYSA-N -1 0 370.383 -0.292 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000737609569 599754581 /nfs/dbraw/zinc/75/45/81/599754581.db2.gz AZEMJDRULRGHHQ-UHFFFAOYSA-N -1 0 350.249 -0.047 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000737610075 600175444 /nfs/dbraw/zinc/17/54/44/600175444.db2.gz GPZJPHSPVJBWQX-UHFFFAOYSA-N -1 0 360.326 -0.329 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1 ZINC000737610164 600666239 /nfs/dbraw/zinc/66/62/39/600666239.db2.gz ILBLAUGZLYIUMQ-UHFFFAOYSA-N -1 0 361.376 -0.599 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)Cn1cc(Br)ccc1=O ZINC000737610217 600010048 /nfs/dbraw/zinc/01/00/48/600010048.db2.gz KFZGEMMXCVHHSO-UHFFFAOYSA-N -1 0 361.148 -0.303 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000737610612 599753483 /nfs/dbraw/zinc/75/34/83/599753483.db2.gz LASMMGDEPQEJRH-UHFFFAOYSA-N -1 0 358.310 -0.124 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)Cc1csc(N2CCCC2=O)n1 ZINC000737610679 600010871 /nfs/dbraw/zinc/01/08/71/600010871.db2.gz LUUVTIRAWQVZGG-UHFFFAOYSA-N -1 0 355.372 -0.101 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000737611470 599752383 /nfs/dbraw/zinc/75/23/83/599752383.db2.gz RCRCVDJYEXMLRS-UHFFFAOYSA-N -1 0 359.338 -0.004 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1sc(S(N)(=O)=O)cc1C ZINC000737611601 600008249 /nfs/dbraw/zinc/00/82/49/600008249.db2.gz BBLBNPSVTZOAPF-UHFFFAOYSA-N -1 0 350.374 -0.596 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000737611651 600007879 /nfs/dbraw/zinc/00/78/79/600007879.db2.gz CDXSSNPXCMKBNR-UHFFFAOYSA-N -1 0 358.372 -0.363 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000737611734 600013024 /nfs/dbraw/zinc/01/30/24/600013024.db2.gz FKHGLUHZNMIDRZ-UHFFFAOYSA-N -1 0 353.375 -0.517 20 0 FBADRM Cn1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)c1=O ZINC000737611971 598856161 /nfs/dbraw/zinc/85/61/61/598856161.db2.gz GAFCOTSFSNRGAR-UHFFFAOYSA-N -1 0 374.382 -0.175 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000737612402 600013022 /nfs/dbraw/zinc/01/30/22/600013022.db2.gz JESPKJFFWHRTMX-UHFFFAOYSA-N -1 0 371.434 -0.349 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000737612521 600013266 /nfs/dbraw/zinc/01/32/66/600013266.db2.gz JZZXLRXSGJKENE-UHFFFAOYSA-N -1 0 369.443 -0.048 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc2c(nc3ccccn3c2=O)n1C ZINC000737612600 600198102 /nfs/dbraw/zinc/19/81/02/600198102.db2.gz VZPJJWUWWBNXPX-UHFFFAOYSA-N -1 0 372.337 -0.114 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 ZINC000737612729 600682699 /nfs/dbraw/zinc/68/26/99/600682699.db2.gz XLSLZVPJPFIHKT-UHFFFAOYSA-N -1 0 358.372 -0.349 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 ZINC000737612784 600008152 /nfs/dbraw/zinc/00/81/52/600008152.db2.gz YIZVRDSXIUXJBR-NSHDSACASA-N -1 0 372.399 -0.252 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000737613005 600014348 /nfs/dbraw/zinc/01/43/48/600014348.db2.gz LNGXJPWENAKNAW-UHFFFAOYSA-N -1 0 367.358 -0.876 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000737613134 599826106 /nfs/dbraw/zinc/82/61/06/599826106.db2.gz NFJPAIVNJQDCTE-UHFFFAOYSA-N -1 0 370.383 -0.173 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000737613148 600013446 /nfs/dbraw/zinc/01/34/46/600013446.db2.gz NKSBULOBSVLPDW-UHFFFAOYSA-N -1 0 363.414 -0.110 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000737613197 600170511 /nfs/dbraw/zinc/17/05/11/600170511.db2.gz OBNHWBKBHGNDCA-UHFFFAOYSA-N -1 0 369.355 -0.562 20 0 FBADRM Cn1cccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1=O ZINC000737613399 598856159 /nfs/dbraw/zinc/85/61/59/598856159.db2.gz NPCNJRUFOVCWFK-UHFFFAOYSA-N -1 0 360.355 -0.316 20 0 FBADRM Cn1cccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[nH]n2)c1=O ZINC000737613426 598856356 /nfs/dbraw/zinc/85/63/56/598856356.db2.gz OFRAPXHEHHKJBR-UHFFFAOYSA-N -1 0 374.382 -0.175 20 0 FBADRM Cn1cccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1=O ZINC000737613465 598856198 /nfs/dbraw/zinc/85/61/98/598856198.db2.gz PNZJQKYLFFOZAV-UHFFFAOYSA-N -1 0 360.355 -0.316 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cccc(S(=O)(=O)N(C)OC)c1 ZINC000737613501 660534731 /nfs/dbraw/zinc/53/47/31/660534731.db2.gz PPCWBASTESABJH-UHFFFAOYSA-N -1 0 374.371 -0.432 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000737614154 600012862 /nfs/dbraw/zinc/01/28/62/600012862.db2.gz WJPPCVRSDLERHL-UHFFFAOYSA-N -1 0 369.418 -0.593 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1nc2ncc(Br)cn2n1 ZINC000737614225 600008411 /nfs/dbraw/zinc/00/84/11/600008411.db2.gz XZLQBXUUVROQSF-UHFFFAOYSA-N -1 0 372.135 -0.413 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)C(=O)N(C2CCCCC2)C1=O ZINC000737614358 599953413 /nfs/dbraw/zinc/95/34/13/599953413.db2.gz BVCPALPFNKYFLA-UHFFFAOYSA-N -1 0 355.347 -0.373 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000737614386 599757743 /nfs/dbraw/zinc/75/77/43/599757743.db2.gz CEJBSBRYHSSLKR-LLVKDONJSA-N -1 0 352.343 -0.498 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000737614389 599757786 /nfs/dbraw/zinc/75/77/86/599757786.db2.gz CEJBSBRYHSSLKR-NSHDSACASA-N -1 0 352.343 -0.498 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)C(=O)N(Cc2ccccc2)C1=O ZINC000737614470 599954417 /nfs/dbraw/zinc/95/44/17/599954417.db2.gz CWHFRHBRMCAGGS-UHFFFAOYSA-N -1 0 363.326 -0.506 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000737614571 599757710 /nfs/dbraw/zinc/75/77/10/599757710.db2.gz DPMYGKNXWYLSOP-UHFFFAOYSA-N -1 0 367.314 -0.377 20 0 FBADRM Cn1cccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)c1=O ZINC000737614636 598856558 /nfs/dbraw/zinc/85/65/58/598856558.db2.gz WSSLNDUCIBAYFS-UHFFFAOYSA-N -1 0 374.382 -0.175 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000737614841 599953534 /nfs/dbraw/zinc/95/35/34/599953534.db2.gz GCHGOIBXRKMLPV-UHFFFAOYSA-N -1 0 369.355 -0.444 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000737614856 600013468 /nfs/dbraw/zinc/01/34/68/600013468.db2.gz GEYOAQOOFMPENH-JTQLQIEISA-N -1 0 350.327 -0.797 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000737614858 600013477 /nfs/dbraw/zinc/01/34/77/600013477.db2.gz GEYOAQOOFMPENH-SNVBAGLBSA-N -1 0 350.327 -0.797 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000737614876 600013304 /nfs/dbraw/zinc/01/33/04/600013304.db2.gz GKNCAXJEMYOKAU-UHFFFAOYSA-N -1 0 358.372 -0.412 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CN1c2cc3c(cc2C(=O)C1=O)OCCO3 ZINC000737614976 599953636 /nfs/dbraw/zinc/95/36/36/599953636.db2.gz IGXMLHYISQMUAC-UHFFFAOYSA-N -1 0 364.310 -0.496 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CC(=O)NC(=O)Nc1ccc(OC)cc1 ZINC000737615205 599756631 /nfs/dbraw/zinc/75/66/31/599756631.db2.gz IZNDIQBFTFRYFG-UHFFFAOYSA-N -1 0 353.331 -0.097 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000737615736 599757551 /nfs/dbraw/zinc/75/75/51/599757551.db2.gz PYECZTIGEZQJGN-UHFFFAOYSA-N -1 0 363.326 -0.590 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000737616157 599756658 /nfs/dbraw/zinc/75/66/58/599756658.db2.gz SUTYPYNDPPFREM-UHFFFAOYSA-N -1 0 351.359 -0.114 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CN1c2cc(OC)c(OC)cc2C(=O)C1=O ZINC000737616204 599953473 /nfs/dbraw/zinc/95/34/73/599953473.db2.gz TVZRCBHHKXLFJN-UHFFFAOYSA-N -1 0 366.326 -0.250 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000737616448 599757760 /nfs/dbraw/zinc/75/77/60/599757760.db2.gz WEDQLKIJZUBPQX-UHFFFAOYSA-N -1 0 351.359 -0.114 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CN1c2cc(OC)cc(OC)c2C(=O)C1=O ZINC000737616482 599953965 /nfs/dbraw/zinc/95/39/65/599953965.db2.gz WQDWMMLSNMMFKD-UHFFFAOYSA-N -1 0 366.326 -0.250 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000737616483 599757753 /nfs/dbraw/zinc/75/77/53/599757753.db2.gz WTLXYPOTXLKPET-UHFFFAOYSA-N -1 0 358.372 -0.412 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)Cc1cccc(C(=O)OC)c1 ZINC000737617215 600231232 /nfs/dbraw/zinc/23/12/32/600231232.db2.gz BGSFAVLDHBBAKS-UHFFFAOYSA-N -1 0 359.356 -0.137 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000737617264 599761872 /nfs/dbraw/zinc/76/18/72/599761872.db2.gz DBAIFZWAMIETDN-UHFFFAOYSA-N -1 0 373.387 -0.501 20 0 FBADRM COC(=O)CN(CC(=O)[O-])Cc1nnc2n1c1ccccc1c(=O)n2C ZINC000737618541 599757737 /nfs/dbraw/zinc/75/77/37/599757737.db2.gz QVIXSKQQOVUDKL-UHFFFAOYSA-N -1 0 359.342 -0.359 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[nH]n3)nc2)c1Cl ZINC000737618598 599152477 /nfs/dbraw/zinc/15/24/77/599152477.db2.gz JHXOIBPZSQFBFM-UHFFFAOYSA-N -1 0 368.766 -0.233 20 0 FBADRM COC(=O)CN(CC(=O)[O-])Cn1nc(C)n(CC(=O)N(C)C)c1=S ZINC000737618610 599953881 /nfs/dbraw/zinc/95/38/81/599953881.db2.gz RSZMWKWTAIGUQG-UHFFFAOYSA-N -1 0 359.408 -0.672 20 0 FBADRM COC(=O)CN(CC(=O)[O-])Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000737618654 599757562 /nfs/dbraw/zinc/75/75/62/599757562.db2.gz SOVYOPJJHVXGLV-UHFFFAOYSA-N -1 0 365.371 -0.298 20 0 FBADRM COC(=O)CN(CC(=O)[O-])Cc1nnc2n1c1ccc(C)cc1c(=O)n2C ZINC000737618699 599757582 /nfs/dbraw/zinc/75/75/82/599757582.db2.gz UCBRFHMSXNSWCC-UHFFFAOYSA-N -1 0 373.369 -0.051 20 0 FBADRM COC(=O)CN(CC(=O)[O-])Cn1nc(N2CCOCC2)n(C)c1=S ZINC000737618910 599953895 /nfs/dbraw/zinc/95/38/95/599953895.db2.gz VOKMNNHQIJEUHM-UHFFFAOYSA-N -1 0 359.408 -0.695 20 0 FBADRM COC(=O)CN(CCC(=O)N1CCN(c2ccccn2)CC1)CC(=O)[O-] ZINC000737619165 599757696 /nfs/dbraw/zinc/75/76/96/599757696.db2.gz APAUVCRFBJVMLV-UHFFFAOYSA-N -1 0 364.402 -0.320 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000737619172 600014859 /nfs/dbraw/zinc/01/48/59/600014859.db2.gz AYACRQNYDPPHOG-UHFFFAOYSA-N -1 0 351.358 -0.217 20 0 FBADRM COC(=O)CN(CCN1CCOCC1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000737619177 600262436 /nfs/dbraw/zinc/26/24/36/600262436.db2.gz AYZHAPMTBUFNAX-UHFFFAOYSA-N -1 0 351.359 -0.273 20 0 FBADRM COC(=O)CN(CCN1CCOCC1)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000737619190 600145859 /nfs/dbraw/zinc/14/58/59/600145859.db2.gz CALMLFUQMHAXNR-UHFFFAOYSA-N -1 0 371.434 -0.883 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000737619240 599761853 /nfs/dbraw/zinc/76/18/53/599761853.db2.gz DYQOTPYVZDBPIC-UHFFFAOYSA-N -1 0 365.385 -0.662 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000737619253 600014607 /nfs/dbraw/zinc/01/46/07/600014607.db2.gz FKJNUPZWQOBWQP-UHFFFAOYSA-N -1 0 370.383 -0.173 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000737619257 599761867 /nfs/dbraw/zinc/76/18/67/599761867.db2.gz FQAMSFUJBMSRNM-UHFFFAOYSA-N -1 0 365.385 -0.662 20 0 FBADRM COC(=O)CN(CCN1CCOCC1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000737619433 600262411 /nfs/dbraw/zinc/26/24/11/600262411.db2.gz HPZWDSINALUBPP-UHFFFAOYSA-N -1 0 351.359 -0.273 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000737619484 600015280 /nfs/dbraw/zinc/01/52/80/600015280.db2.gz JQPLCXIQGRRAGY-UHFFFAOYSA-N -1 0 351.358 -0.217 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)OC)ccc1F ZINC000737619532 600014524 /nfs/dbraw/zinc/01/45/24/600014524.db2.gz KXWRHZZFIWMATR-UHFFFAOYSA-N -1 0 363.319 -0.139 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000737619551 600014872 /nfs/dbraw/zinc/01/48/72/600014872.db2.gz LHLHDQQPIZFWSK-UHFFFAOYSA-N -1 0 374.346 -0.041 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000737619843 599762208 /nfs/dbraw/zinc/76/22/08/599762208.db2.gz NGSLVKVUFYFGCU-UHFFFAOYSA-N -1 0 364.401 -0.368 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000737619846 600014777 /nfs/dbraw/zinc/01/47/77/600014777.db2.gz NMAOPFDZTNXKIL-UHFFFAOYSA-N -1 0 371.371 -0.875 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000737619965 599762314 /nfs/dbraw/zinc/76/23/14/599762314.db2.gz PVGLNFADCVBCCC-UHFFFAOYSA-N -1 0 358.328 -0.734 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000737620142 600014868 /nfs/dbraw/zinc/01/48/68/600014868.db2.gz QHAAORRELWEDFM-UHFFFAOYSA-N -1 0 358.372 -0.363 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000737620176 599762255 /nfs/dbraw/zinc/76/22/55/599762255.db2.gz RBMJPXCXQMMEMO-UHFFFAOYSA-N -1 0 370.383 -0.156 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000737620280 600721758 /nfs/dbraw/zinc/72/17/58/600721758.db2.gz UFZAKROULKHYJB-UHFFFAOYSA-N -1 0 372.355 -0.109 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000737620292 600015268 /nfs/dbraw/zinc/01/52/68/600015268.db2.gz USQMUUVAFWDECL-UHFFFAOYSA-N -1 0 370.339 -0.839 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccc(OC)c(C(N)=O)c1 ZINC000737620341 600014600 /nfs/dbraw/zinc/01/46/00/600014600.db2.gz WRUSYTCSECJOAL-UHFFFAOYSA-N -1 0 360.344 -0.958 20 0 FBADRM COC(=O)CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)[O-])n1 ZINC000737620401 600264737 /nfs/dbraw/zinc/26/47/37/600264737.db2.gz YAGJEFVIJGFGDA-UHFFFAOYSA-N -1 0 351.359 -0.273 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000737620411 599762083 /nfs/dbraw/zinc/76/20/83/599762083.db2.gz YDCAJHYYAPVGNY-UHFFFAOYSA-N -1 0 371.327 -0.711 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 ZINC000737620428 600633596 /nfs/dbraw/zinc/63/35/96/600633596.db2.gz YLPBBSQLUWRCOG-UHFFFAOYSA-N -1 0 370.383 -0.156 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000737620454 600014655 /nfs/dbraw/zinc/01/46/55/600014655.db2.gz YVPUPPXGUOASAA-UHFFFAOYSA-N -1 0 356.360 -0.475 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000737620459 599762140 /nfs/dbraw/zinc/76/21/40/599762140.db2.gz YZGMRGNGGUFBDF-UHFFFAOYSA-N -1 0 358.328 -0.620 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000737620480 600223599 /nfs/dbraw/zinc/22/35/99/600223599.db2.gz ZKOAZOGBAVBXSI-UHFFFAOYSA-N -1 0 356.356 -0.779 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000737620488 599762286 /nfs/dbraw/zinc/76/22/86/599762286.db2.gz ZMPUWOWJBULCFH-UHFFFAOYSA-N -1 0 365.385 -0.662 20 0 FBADRM COC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000737620603 599724110 /nfs/dbraw/zinc/72/41/10/599724110.db2.gz ACKAOLGRJGZAKC-UHFFFAOYSA-N -1 0 364.763 -0.394 20 0 FBADRM COC(=O)CNS(=O)(=O)c1cccc(NC(=O)CCNC(=O)[O-])c1 ZINC000737620692 599746539 /nfs/dbraw/zinc/74/65/39/599746539.db2.gz FTTUZOATMZHPFA-UHFFFAOYSA-N -1 0 359.360 -0.266 20 0 FBADRM COC(=O)CNC(=O)c1ccc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000737621196 600006633 /nfs/dbraw/zinc/00/66/33/600006633.db2.gz IYHWVZKCSVHJGY-GFCCVEGCSA-N -1 0 365.342 -0.093 20 0 FBADRM COC(=O)CNC(=O)c1ccc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000737621198 600006749 /nfs/dbraw/zinc/00/67/49/600006749.db2.gz IYHWVZKCSVHJGY-LBPRGKRZSA-N -1 0 365.342 -0.093 20 0 FBADRM COC(=O)COc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000737621819 600055594 /nfs/dbraw/zinc/05/55/94/600055594.db2.gz MCNPDMHMVURFDO-GFCCVEGCSA-N -1 0 366.326 -0.511 20 0 FBADRM COC(=O)COc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000737621820 600055661 /nfs/dbraw/zinc/05/56/61/600055661.db2.gz MCNPDMHMVURFDO-LBPRGKRZSA-N -1 0 366.326 -0.511 20 0 FBADRM COC(=O)CNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC000737622718 600111091 /nfs/dbraw/zinc/11/10/91/600111091.db2.gz RKPWDBCTWYSBOC-MNOVXSKESA-N -1 0 356.356 -0.203 20 0 FBADRM COC(=O)CNS(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC000737622722 600111216 /nfs/dbraw/zinc/11/12/16/600111216.db2.gz RKPWDBCTWYSBOC-QWRGUYRKSA-N -1 0 356.356 -0.203 20 0 FBADRM COC(=O)CNS(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000737622725 600111171 /nfs/dbraw/zinc/11/11/71/600111171.db2.gz RKPWDBCTWYSBOC-WDEREUQCSA-N -1 0 356.356 -0.203 20 0 FBADRM COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000737624052 600333164 /nfs/dbraw/zinc/33/31/64/600333164.db2.gz YCKFKEUHFSZXIS-UHFFFAOYSA-N -1 0 351.315 -0.881 20 0 FBADRM COC(=O)Cc1c(C(=O)[O-])sc2[nH]c(CN3CC[C@H](O)C3)nc(=O)c12 ZINC000737627421 600443260 /nfs/dbraw/zinc/44/32/60/600443260.db2.gz HPZRIQFIVNKRKJ-ZETCQYMHSA-N -1 0 367.383 -0.035 20 0 FBADRM COC(=O)Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000737627462 600051909 /nfs/dbraw/zinc/05/19/09/600051909.db2.gz KGYOGMUOJLYUSU-GFCCVEGCSA-N -1 0 350.327 -0.347 20 0 FBADRM COC(=O)Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000737627464 600051801 /nfs/dbraw/zinc/05/18/01/600051801.db2.gz KGYOGMUOJLYUSU-LBPRGKRZSA-N -1 0 350.327 -0.347 20 0 FBADRM COC(=O)COc1cccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000737627871 600051853 /nfs/dbraw/zinc/05/18/53/600051853.db2.gz MHHMVQYTHNMJEB-GFCCVEGCSA-N -1 0 366.326 -0.511 20 0 FBADRM COC(=O)COc1cccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000737627873 600051876 /nfs/dbraw/zinc/05/18/76/600051876.db2.gz MHHMVQYTHNMJEB-LBPRGKRZSA-N -1 0 366.326 -0.511 20 0 FBADRM COC(=O)Cc1ccc(S(=O)(=O)N[C@H](CC(=O)OC)C(=O)[O-])cc1 ZINC000737630187 600647213 /nfs/dbraw/zinc/64/72/13/600647213.db2.gz ADOJTTBVULILFV-LLVKDONJSA-N -1 0 359.356 -0.303 20 0 FBADRM COC(=O)Cc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)OC)cc1 ZINC000737630306 600647430 /nfs/dbraw/zinc/64/74/30/600647430.db2.gz DRAZBLSAKRNRLO-LLVKDONJSA-N -1 0 359.356 -0.303 20 0 FBADRM COC(=O)Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)OC)cc1 ZINC000737630309 600647261 /nfs/dbraw/zinc/64/72/61/600647261.db2.gz DRAZBLSAKRNRLO-NSHDSACASA-N -1 0 359.356 -0.303 20 0 FBADRM COC(=O)Cn1ncc2c1ncn(CC(=O)c1cc(C(=O)[O-])co1)c2=O ZINC000737630697 600031136 /nfs/dbraw/zinc/03/11/36/600031136.db2.gz HTBUNXCMEYZTCJ-UHFFFAOYSA-N -1 0 360.282 -0.060 20 0 FBADRM COC(=O)N(C)CC(=O)NC[C@](C)(NC(=O)CN(C)C(=O)[O-])C(C)C ZINC000737630850 600423817 /nfs/dbraw/zinc/42/38/17/600423817.db2.gz JHOUZXJEQLLBLS-HNNXBMFYSA-N -1 0 360.411 -0.059 20 0 FBADRM COC(=O)N(C)CC(=O)NC[C@@](C)(NC(=O)CN(C)C(=O)[O-])C(C)C ZINC000737630852 600423858 /nfs/dbraw/zinc/42/38/58/600423858.db2.gz JHOUZXJEQLLBLS-OAHLLOKOSA-N -1 0 360.411 -0.059 20 0 FBADRM COC(=O)Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1 ZINC000737631060 600646316 /nfs/dbraw/zinc/64/63/16/600646316.db2.gz NWMPIXCXLKQAPE-GFCCVEGCSA-N -1 0 370.383 -0.634 20 0 FBADRM COC(=O)Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC000737631062 600646247 /nfs/dbraw/zinc/64/62/47/600646247.db2.gz NWMPIXCXLKQAPE-LBPRGKRZSA-N -1 0 370.383 -0.634 20 0 FBADRM COC(=O)Cc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)OC)cc1 ZINC000737631185 600650212 /nfs/dbraw/zinc/65/02/12/600650212.db2.gz RDGVNHYKVRVCFJ-UHFFFAOYSA-N -1 0 359.356 -0.350 20 0 FBADRM COC(=O)N(C)CC(=O)NC1(CNC(=O)CN(C)C(=O)[O-])CCOCC1 ZINC000737631459 600422705 /nfs/dbraw/zinc/42/27/05/600422705.db2.gz NWKYAGQBEVRVSG-UHFFFAOYSA-N -1 0 374.394 -0.924 20 0 FBADRM COC(=O)N1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000737631673 599862175 /nfs/dbraw/zinc/86/21/75/599862175.db2.gz CAUCIXQVZNBVHR-GHMZBOCLSA-N -1 0 356.379 -0.408 20 0 FBADRM COC(=O)N1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000737631676 599862202 /nfs/dbraw/zinc/86/22/02/599862202.db2.gz CAUCIXQVZNBVHR-MNOVXSKESA-N -1 0 356.379 -0.408 20 0 FBADRM COC(=O)N1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000737631680 599862113 /nfs/dbraw/zinc/86/21/13/599862113.db2.gz CAUCIXQVZNBVHR-QWRGUYRKSA-N -1 0 356.379 -0.408 20 0 FBADRM COC(=O)N1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000737631684 599862259 /nfs/dbraw/zinc/86/22/59/599862259.db2.gz CAUCIXQVZNBVHR-WDEREUQCSA-N -1 0 356.379 -0.408 20 0 FBADRM COC(=O)N(C)CC(=O)N[C@@](C)(CNC(=O)CN(C)C(=O)[O-])C(C)C ZINC000737632404 600423721 /nfs/dbraw/zinc/42/37/21/600423721.db2.gz SWHGLWGYSRBFJN-HNNXBMFYSA-N -1 0 360.411 -0.059 20 0 FBADRM COC(=O)N(C)CC(=O)N[C@](C)(CNC(=O)CN(C)C(=O)[O-])C(C)C ZINC000737632406 600424127 /nfs/dbraw/zinc/42/41/27/600424127.db2.gz SWHGLWGYSRBFJN-OAHLLOKOSA-N -1 0 360.411 -0.059 20 0 FBADRM COC(=O)N(C)CC(=O)NCC1(NC(=O)CN(C)C(=O)[O-])CCOCC1 ZINC000737632508 600422581 /nfs/dbraw/zinc/42/25/81/600422581.db2.gz WOZOZNKICJAROJ-UHFFFAOYSA-N -1 0 374.394 -0.924 20 0 FBADRM CC(C)N(CC(=O)[O-])C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000737635739 598072452 /nfs/dbraw/zinc/07/24/52/598072452.db2.gz DFBKPSDVAXAJDB-UHFFFAOYSA-N -1 0 371.371 -0.437 20 0 FBADRM COC(=O)NCc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000737636867 600370205 /nfs/dbraw/zinc/37/02/05/600370205.db2.gz CFYKSCUWKOSZQF-GFCCVEGCSA-N -1 0 365.342 -0.207 20 0 FBADRM COC(=O)NCc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000737636868 600370197 /nfs/dbraw/zinc/37/01/97/600370197.db2.gz CFYKSCUWKOSZQF-LBPRGKRZSA-N -1 0 365.342 -0.207 20 0 FBADRM COC(=O)NCC(=O)N[C@@H]1[C@H](C)CC(C)(C)[C@H]1CNC(=O)CNC(=O)[O-] ZINC000737637444 600258869 /nfs/dbraw/zinc/25/88/69/600258869.db2.gz CTNNXYCQXQBINE-GBIKHYSHSA-N -1 0 372.422 -0.107 20 0 FBADRM COC(=O)NCC(=O)N[C@@H]1[C@H](C)CC(C)(C)[C@@H]1CNC(=O)CNC(=O)[O-] ZINC000737637445 600258804 /nfs/dbraw/zinc/25/88/04/600258804.db2.gz CTNNXYCQXQBINE-GIPNMCIBSA-N -1 0 372.422 -0.107 20 0 FBADRM COC(=O)NCC(=O)N[C@H]1[C@@H](CNC(=O)CNC(=O)[O-])C(C)(C)C[C@@H]1C ZINC000737637447 600258888 /nfs/dbraw/zinc/25/88/88/600258888.db2.gz CTNNXYCQXQBINE-OPQQBVKSSA-N -1 0 372.422 -0.107 20 0 FBADRM COC(=O)NCC(=O)N[C@@H]1[C@@H](C)CC(C)(C)[C@H]1CNC(=O)CNC(=O)[O-] ZINC000737637449 600258908 /nfs/dbraw/zinc/25/89/08/600258908.db2.gz CTNNXYCQXQBINE-OUJBWJOFSA-N -1 0 372.422 -0.107 20 0 FBADRM COC(=O)NCC(=O)NC1CCC(CN(C)C(=O)CNC(=O)[O-])CC1 ZINC000737637454 600621807 /nfs/dbraw/zinc/62/18/07/600621807.db2.gz CWHUXDRLYSLWNP-UHFFFAOYSA-N -1 0 358.395 -0.257 20 0 FBADRM COC(=O)NCC(=O)N(C(C)C)C1CCN(C(=O)CNC(=O)[O-])CC1 ZINC000737637651 599748688 /nfs/dbraw/zinc/74/86/88/599748688.db2.gz FNACEFGTVKBQBI-UHFFFAOYSA-N -1 0 358.395 -0.162 20 0 FBADRM COC(=O)NCC(=O)N1CCN(C(=O)CNC(=O)[O-])CC12CCCCC2 ZINC000737637696 601096585 /nfs/dbraw/zinc/09/65/85/601096585.db2.gz GMVYFXWTVGZNDO-UHFFFAOYSA-N -1 0 370.406 -0.016 20 0 FBADRM COC(=O)NCC(=O)N[C@H](CNC(=O)CNC(=O)[O-])C1CCCCC1 ZINC000737637759 600269630 /nfs/dbraw/zinc/26/96/30/600269630.db2.gz HQQAIPWTVRMIOO-LLVKDONJSA-N -1 0 358.395 -0.209 20 0 FBADRM COC(=O)NCC(=O)N[C@@H](CNC(=O)CNC(=O)[O-])C1CCCCC1 ZINC000737637761 600269450 /nfs/dbraw/zinc/26/94/50/600269450.db2.gz HQQAIPWTVRMIOO-NSHDSACASA-N -1 0 358.395 -0.209 20 0 FBADRM COC(=O)NCC(=O)N(C)CC1CCC(NC(=O)CNC(=O)[O-])CC1 ZINC000737638462 600621889 /nfs/dbraw/zinc/62/18/89/600621889.db2.gz LNEPZQMPBVMUCD-UHFFFAOYSA-N -1 0 358.395 -0.257 20 0 FBADRM COC(=O)NCC(=O)N1CCC(N(C(=O)CNC(=O)[O-])C(C)C)CC1 ZINC000737638684 599748623 /nfs/dbraw/zinc/74/86/23/599748623.db2.gz MIERDSPHHHPZLG-UHFFFAOYSA-N -1 0 358.395 -0.162 20 0 FBADRM COC(=O)NCC(=O)NC[C@@H](NC(=O)CNC(=O)[O-])C1CCCCC1 ZINC000737639121 600269569 /nfs/dbraw/zinc/26/95/69/600269569.db2.gz QPYJRNFVAMZYPP-LLVKDONJSA-N -1 0 358.395 -0.209 20 0 FBADRM COC(=O)NCC(=O)NC[C@H](NC(=O)CNC(=O)[O-])C1CCCCC1 ZINC000737639122 600269434 /nfs/dbraw/zinc/26/94/34/600269434.db2.gz QPYJRNFVAMZYPP-NSHDSACASA-N -1 0 358.395 -0.209 20 0 FBADRM COC(=O)NCCC(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC000737639124 599746436 /nfs/dbraw/zinc/74/64/36/599746436.db2.gz QTNLEODFPKOHCV-UHFFFAOYSA-N -1 0 359.360 -0.266 20 0 FBADRM COC(=O)NCC(=O)N1CCN(C(=O)CNC(=O)[O-])C2(CCCCC2)C1 ZINC000737639204 601096657 /nfs/dbraw/zinc/09/66/57/601096657.db2.gz UIMCUAUBVPOZFA-UHFFFAOYSA-N -1 0 370.406 -0.016 20 0 FBADRM COC(=O)NCC(=O)NC[C@@H]1[C@@H](NC(=O)CNC(=O)[O-])[C@H](C)CC1(C)C ZINC000737639535 600258915 /nfs/dbraw/zinc/25/89/15/600258915.db2.gz WLELEPUXUZISPL-BREBYQMCSA-N -1 0 372.422 -0.107 20 0 FBADRM COC(=O)NCC(=O)NC[C@@H]1[C@@H](NC(=O)CNC(=O)[O-])[C@@H](C)CC1(C)C ZINC000737639536 600258939 /nfs/dbraw/zinc/25/89/39/600258939.db2.gz WLELEPUXUZISPL-CWSCBRNRSA-N -1 0 372.422 -0.107 20 0 FBADRM COC(=O)NCC(=O)NC[C@@H]1[C@H](NC(=O)CNC(=O)[O-])[C@H](C)CC1(C)C ZINC000737639537 600258905 /nfs/dbraw/zinc/25/89/05/600258905.db2.gz WLELEPUXUZISPL-GIPNMCIBSA-N -1 0 372.422 -0.107 20 0 FBADRM COC(=O)NCC(=O)NC[C@@H]1[C@H](NC(=O)CNC(=O)[O-])[C@@H](C)CC1(C)C ZINC000737639538 600258873 /nfs/dbraw/zinc/25/88/73/600258873.db2.gz WLELEPUXUZISPL-OPQQBVKSSA-N -1 0 372.422 -0.107 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737640405 602123935 /nfs/dbraw/zinc/12/39/35/602123935.db2.gz GGORXVSDGAOFHV-UHFFFAOYSA-N -1 0 371.415 -0.304 20 0 FBADRM CC(C)NC(=O)CN1CCN([C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000737641667 600983370 /nfs/dbraw/zinc/98/33/70/600983370.db2.gz PTNAJKDLOIOOGM-AWEZNQCLSA-N -1 0 368.478 -0.160 20 0 FBADRM CC(C)NC(=O)CN1CCN([C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000737641668 600983347 /nfs/dbraw/zinc/98/33/47/600983347.db2.gz PTNAJKDLOIOOGM-CQSZACIVSA-N -1 0 368.478 -0.160 20 0 FBADRM COC(=O)[C@@H]1C[C@@H](O)CN1C[C@H](O)COc1ccc(C(=O)[O-])cc1OC ZINC000737642658 600230859 /nfs/dbraw/zinc/23/08/59/600230859.db2.gz HOEIZYZFTOPKDI-AGIUHOORSA-N -1 0 369.370 -0.259 20 0 FBADRM COC(=O)[C@@H]1C[C@@H](O)CN1C[C@@H](O)COc1ccc(C(=O)[O-])cc1OC ZINC000737642659 600230885 /nfs/dbraw/zinc/23/08/85/600230885.db2.gz HOEIZYZFTOPKDI-UPJWGTAASA-N -1 0 369.370 -0.259 20 0 FBADRM COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000737643004 600230679 /nfs/dbraw/zinc/23/06/79/600230679.db2.gz ZXDQODGKHULYAY-ILXRZTDVSA-N -1 0 362.382 -0.367 20 0 FBADRM COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000737643005 600230932 /nfs/dbraw/zinc/23/09/32/600230932.db2.gz ZXDQODGKHULYAY-KFWWJZLASA-N -1 0 362.382 -0.367 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC000737648144 600341141 /nfs/dbraw/zinc/34/11/41/600341141.db2.gz DXCUBSSQAVRCRY-UHFFFAOYSA-N -1 0 360.392 -0.714 20 0 FBADRM COC(=O)c1c(N)sc(C(=O)[O-])c1COC(=O)CN1CC(=O)NC1=O ZINC000737648967 600368304 /nfs/dbraw/zinc/36/83/04/600368304.db2.gz ILBVRJDBRACWEO-UHFFFAOYSA-N -1 0 371.327 -0.590 20 0 FBADRM COC(=O)c1c(N)sc(C(=O)[O-])c1COC(=O)C1CC(=O)NC(=O)C1 ZINC000737652285 599945456 /nfs/dbraw/zinc/94/54/56/599945456.db2.gz VMRNUNHKCOQGMD-UHFFFAOYSA-N -1 0 370.339 -0.089 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000737652352 599731024 /nfs/dbraw/zinc/73/10/24/599731024.db2.gz ASSUXMYEUYKJPT-GFCCVEGCSA-N -1 0 372.399 -0.220 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000737652357 599730985 /nfs/dbraw/zinc/73/09/85/599730985.db2.gz ASSUXMYEUYKJPT-LBPRGKRZSA-N -1 0 372.399 -0.220 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCn3cnnc3C2)c1 ZINC000737653320 600350044 /nfs/dbraw/zinc/35/00/44/600350044.db2.gz GMVXFEDTNVIRAA-UHFFFAOYSA-N -1 0 366.355 -0.033 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H]2CCN(C)C2=O)c1 ZINC000737653482 600452789 /nfs/dbraw/zinc/45/27/89/600452789.db2.gz HXEYUKPETZNUNC-LLVKDONJSA-N -1 0 356.356 -0.320 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H]2CCN(C)C2=O)c1 ZINC000737653484 600452819 /nfs/dbraw/zinc/45/28/19/600452819.db2.gz HXEYUKPETZNUNC-NSHDSACASA-N -1 0 356.356 -0.320 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCCS(C)(=O)=O)c1 ZINC000737654229 599775173 /nfs/dbraw/zinc/77/51/73/599775173.db2.gz NIAHFKJEOIJYRZ-UHFFFAOYSA-N -1 0 365.385 -0.506 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCNC(=O)[C@H]2C)c1 ZINC000737654391 599715518 /nfs/dbraw/zinc/71/55/18/599715518.db2.gz PCCHLLZNIYCMGI-MRVPVSSYSA-N -1 0 356.356 -0.320 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCNC(=O)[C@@H]2C)c1 ZINC000737654497 599715342 /nfs/dbraw/zinc/71/53/42/599715342.db2.gz PCCHLLZNIYCMGI-QMMMGPOBSA-N -1 0 356.356 -0.320 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCCn2cncn2)c1 ZINC000737654641 599936580 /nfs/dbraw/zinc/93/65/80/599936580.db2.gz QYFUZUMCXPWMJU-UHFFFAOYSA-N -1 0 354.344 -0.259 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCCNC(=O)C2)c1 ZINC000737654819 599940708 /nfs/dbraw/zinc/94/07/08/599940708.db2.gz VVAGWRWAQYIIIN-UHFFFAOYSA-N -1 0 356.356 -0.318 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](C(N)=O)C(C)C)c1 ZINC000737654835 600171140 /nfs/dbraw/zinc/17/11/40/600171140.db2.gz WBLJFBNURGCCQZ-LLVKDONJSA-N -1 0 358.372 -0.040 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H](C(N)=O)C(C)C)c1 ZINC000737654841 600171260 /nfs/dbraw/zinc/17/12/60/600171260.db2.gz WBLJFBNURGCCQZ-NSHDSACASA-N -1 0 358.372 -0.040 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCN(C)C(=O)C2)c1 ZINC000737655037 600724531 /nfs/dbraw/zinc/72/45/31/600724531.db2.gz ZEYCGGXQLPUVKG-UHFFFAOYSA-N -1 0 356.356 -0.366 20 0 FBADRM COC(=O)c1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1F ZINC000737659937 600320011 /nfs/dbraw/zinc/32/00/11/600320011.db2.gz LOVPGUNMXQJZII-LLVKDONJSA-N -1 0 354.290 -0.137 20 0 FBADRM COC(=O)c1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1F ZINC000737659938 600320162 /nfs/dbraw/zinc/32/01/62/600320162.db2.gz LOVPGUNMXQJZII-NSHDSACASA-N -1 0 354.290 -0.137 20 0 FBADRM COC(=O)c1cc(NC(=O)NCCN2C(=O)CNC2=O)cc(C(=O)[O-])c1 ZINC000737662456 600178055 /nfs/dbraw/zinc/17/80/55/600178055.db2.gz ODDMCJLFPZYBCO-UHFFFAOYSA-N -1 0 364.314 -0.155 20 0 FBADRM COC(=O)c1cc(OC(=O)c2cn(C)c(=O)n(C)c2=O)cc(C(=O)[O-])c1 ZINC000737663473 600248824 /nfs/dbraw/zinc/24/88/24/600248824.db2.gz ACNLGARWOPEVPI-UHFFFAOYSA-N -1 0 362.294 -0.212 20 0 FBADRM COC(=O)c1cc(OC(=O)CN2C(=O)C(=O)N(C)C2=O)cc(C(=O)[O-])c1 ZINC000737663674 600551376 /nfs/dbraw/zinc/55/13/76/600551376.db2.gz BIWNTOUVRBHKLM-UHFFFAOYSA-N -1 0 364.266 -0.503 20 0 FBADRM COC(=O)c1cc(NC(=O)c2cn(C)c(=O)n(C)c2=O)cc(C(=O)[O-])c1 ZINC000737665039 600248885 /nfs/dbraw/zinc/24/88/85/600248885.db2.gz KXMKGHCJKIWWBD-UHFFFAOYSA-N -1 0 361.310 -0.179 20 0 FBADRM COC(=O)c1cc(NC(=O)C[C@H](NC(C)=O)C(N)=O)cc(C(=O)[O-])c1 ZINC000737666161 600681365 /nfs/dbraw/zinc/68/13/65/600681365.db2.gz LCURBBDMJSQAOM-NSHDSACASA-N -1 0 351.315 -0.510 20 0 FBADRM COC(=O)c1cc(OC(=O)Cn2ncn3nccc3c2=O)cc(C(=O)[O-])c1 ZINC000737667012 600476987 /nfs/dbraw/zinc/47/69/87/600476987.db2.gz YQWAJFQEBXKNIZ-UHFFFAOYSA-N -1 0 372.293 -0.019 20 0 FBADRM COC(=O)c1cc(NC(=O)COC(=O)[C@@H]2CNC(=O)N2)cc(C(=O)[O-])c1 ZINC000737667483 600369358 /nfs/dbraw/zinc/36/93/58/600369358.db2.gz QXTHDXKYYMFFJB-JTQLQIEISA-N -1 0 365.298 -0.666 20 0 FBADRM COC(=O)c1cc(NC(=O)COC(=O)[C@H]2CNC(=O)N2)cc(C(=O)[O-])c1 ZINC000737667485 600369349 /nfs/dbraw/zinc/36/93/49/600369349.db2.gz QXTHDXKYYMFFJB-SNVBAGLBSA-N -1 0 365.298 -0.666 20 0 FBADRM COC(=O)c1cc(NC(=O)COC(=O)C2(C(N)=O)CC2)cc(C(=O)[O-])c1 ZINC000737668825 600088381 /nfs/dbraw/zinc/08/83/81/600088381.db2.gz XPGVHVNNJBKRFZ-UHFFFAOYSA-N -1 0 364.310 -0.081 20 0 FBADRM C[C@H](NC(=O)C1CCN(C(=O)[O-])CC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000737674635 602447443 /nfs/dbraw/zinc/44/74/43/602447443.db2.gz FERPFGSEGGWNEH-JTQLQIEISA-N -1 0 361.420 -0.862 20 0 FBADRM C[C@@H](NC(=O)C1CCN(C(=O)[O-])CC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000737674638 602447227 /nfs/dbraw/zinc/44/72/27/602447227.db2.gz FERPFGSEGGWNEH-SNVBAGLBSA-N -1 0 361.420 -0.862 20 0 FBADRM COC(=O)c1cc(OS(=O)(=O)CCS(C)(=O)=O)cc(C(=O)[O-])c1 ZINC000737675375 600688597 /nfs/dbraw/zinc/68/85/97/600688597.db2.gz OQQLEXWQPZOAJI-UHFFFAOYSA-N -1 0 366.369 -0.075 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCCNC(=O)C2)c(C(=O)[O-])s1 ZINC000737675408 599940699 /nfs/dbraw/zinc/94/06/99/599940699.db2.gz PRHYHDZKAFFOCU-UHFFFAOYSA-N -1 0 362.385 -0.257 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N(C)CC(=O)N(C)C)c(C(=O)[O-])s1 ZINC000737676524 599854023 /nfs/dbraw/zinc/85/40/23/599854023.db2.gz YXWZHDFIZRTYLG-UHFFFAOYSA-N -1 0 364.401 -0.058 20 0 FBADRM C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)[O-])C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000737677334 602447485 /nfs/dbraw/zinc/44/74/85/602447485.db2.gz VBSBQPOIFLEETM-GHMZBOCLSA-N -1 0 361.420 -0.862 20 0 FBADRM C[C@@H](NC(=O)[C@H]1CCCN(C(=O)[O-])C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000737677335 602447413 /nfs/dbraw/zinc/44/74/13/602447413.db2.gz VBSBQPOIFLEETM-MNOVXSKESA-N -1 0 361.420 -0.862 20 0 FBADRM C[C@H](NC(=O)[C@H]1CCCN(C(=O)[O-])C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000737677337 602447454 /nfs/dbraw/zinc/44/74/54/602447454.db2.gz VBSBQPOIFLEETM-QWRGUYRKSA-N -1 0 361.420 -0.862 20 0 FBADRM C[C@H](NC(=O)[C@@H]1CCCN(C(=O)[O-])C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000737677338 602447465 /nfs/dbraw/zinc/44/74/65/602447465.db2.gz VBSBQPOIFLEETM-WDEREUQCSA-N -1 0 361.420 -0.862 20 0 FBADRM COC(=O)c1ccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])nc1 ZINC000737677755 600262447 /nfs/dbraw/zinc/26/24/47/600262447.db2.gz KXVWJODNNAUXSP-UHFFFAOYSA-N -1 0 351.359 -0.273 20 0 FBADRM COC(=O)c1ccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cn1 ZINC000737678324 600262418 /nfs/dbraw/zinc/26/24/18/600262418.db2.gz PAPQTWVIBQXEFA-UHFFFAOYSA-N -1 0 351.359 -0.273 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CCn3cnnc3C2)c1 ZINC000737680994 600350135 /nfs/dbraw/zinc/35/01/35/600350135.db2.gz JAIQLQPJAXMTLT-UHFFFAOYSA-N -1 0 366.355 -0.033 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCN(C)C(=O)C2)c(C(=O)[O-])s1 ZINC000737682220 600724395 /nfs/dbraw/zinc/72/43/95/600724395.db2.gz XBFLDLKLNIYLQI-UHFFFAOYSA-N -1 0 362.385 -0.304 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CCN(C)C(=O)C2)c1 ZINC000737682479 600724467 /nfs/dbraw/zinc/72/44/67/600724467.db2.gz MVICVBPQFULJAE-UHFFFAOYSA-N -1 0 356.356 -0.366 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CCCNC(=O)C2)c1 ZINC000737684561 599940673 /nfs/dbraw/zinc/94/06/73/599940673.db2.gz VYYDJVHTKTUNHL-UHFFFAOYSA-N -1 0 356.356 -0.318 20 0 FBADRM C[C@@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)[O-] ZINC000737685405 602243812 /nfs/dbraw/zinc/24/38/12/602243812.db2.gz NSVJEKGVWANBJS-RXMQYKEDSA-N -1 0 358.152 -0.518 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000737687982 600248978 /nfs/dbraw/zinc/24/89/78/600248978.db2.gz WNYZJALJNBIIJK-UHFFFAOYSA-N -1 0 361.310 -0.179 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000737688889 600249069 /nfs/dbraw/zinc/24/90/69/600249069.db2.gz PJMGPOKYKBMVPY-UHFFFAOYSA-N -1 0 361.310 -0.179 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCn2cnnc2C1 ZINC000737689090 600350104 /nfs/dbraw/zinc/35/01/04/600350104.db2.gz SHVWTVOOKOJRTG-UHFFFAOYSA-N -1 0 366.355 -0.033 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCN(C)C(=O)C1 ZINC000737689340 600724498 /nfs/dbraw/zinc/72/44/98/600724498.db2.gz WCGQXVWCAJZJTL-UHFFFAOYSA-N -1 0 356.356 -0.366 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCCNC(=O)C1 ZINC000737689428 599940781 /nfs/dbraw/zinc/94/07/81/599940781.db2.gz XQJMKJNRNVUYFZ-UHFFFAOYSA-N -1 0 356.356 -0.318 20 0 FBADRM COC(=O)c1ccc(OC[C@@H](O)CN2C[C@H](O)C[C@H]2C(=O)[O-])c(OC)c1 ZINC000737700671 600230753 /nfs/dbraw/zinc/23/07/53/600230753.db2.gz RYPHTHITOXHSQF-AGIUHOORSA-N -1 0 369.370 -0.259 20 0 FBADRM COC(=O)c1ccc(OC[C@H](O)CN2C[C@H](O)C[C@H]2C(=O)[O-])c(OC)c1 ZINC000737700675 600230730 /nfs/dbraw/zinc/23/07/30/600230730.db2.gz RYPHTHITOXHSQF-UPJWGTAASA-N -1 0 369.370 -0.259 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CCCn3nc(C(=O)[O-])nc32)o1 ZINC000737701381 599802396 /nfs/dbraw/zinc/80/23/96/599802396.db2.gz YJKOJNDROHLFMP-UHFFFAOYSA-N -1 0 356.316 -0.045 20 0 FBADRM C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)[O-] ZINC000737703084 597497408 /nfs/dbraw/zinc/49/74/08/597497408.db2.gz DUMIBEPGCNXZKE-SECBINFHSA-N -1 0 356.356 -0.563 20 0 FBADRM C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)[O-] ZINC000737703085 597497514 /nfs/dbraw/zinc/49/75/14/597497514.db2.gz DUMIBEPGCNXZKE-VIFPVBQESA-N -1 0 356.356 -0.563 20 0 FBADRM COC(=O)c1cccc(CS(=O)(=O)N[C@H](CC(=O)[O-])C(=O)OC)c1 ZINC000737706910 600222304 /nfs/dbraw/zinc/22/23/04/600222304.db2.gz DXPLMFZVEOBNEH-LLVKDONJSA-N -1 0 359.356 -0.091 20 0 FBADRM COC(=O)c1cccc(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)OC)c1 ZINC000737706912 600222277 /nfs/dbraw/zinc/22/22/77/600222277.db2.gz DXPLMFZVEOBNEH-NSHDSACASA-N -1 0 359.356 -0.091 20 0 FBADRM C[C@@H](OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000737708036 597496158 /nfs/dbraw/zinc/49/61/58/597496158.db2.gz UJGAUCAPIFFIII-SECBINFHSA-N -1 0 358.372 -0.317 20 0 FBADRM C[C@H](OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000737708037 597496180 /nfs/dbraw/zinc/49/61/80/597496180.db2.gz UJGAUCAPIFFIII-VIFPVBQESA-N -1 0 358.372 -0.317 20 0 FBADRM C[C@H](OC(=O)C1CCN(C(=O)[O-])CC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000737708247 602659679 /nfs/dbraw/zinc/65/96/79/602659679.db2.gz RQPNMHUSSVLARR-GXSJLCMTSA-N -1 0 362.404 -0.389 20 0 FBADRM C[C@@H](OC(=O)C1CCN(C(=O)[O-])CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000737708253 602659890 /nfs/dbraw/zinc/65/98/90/602659890.db2.gz RQPNMHUSSVLARR-KOLCDFICSA-N -1 0 362.404 -0.389 20 0 FBADRM C[C@@H](OC(=O)C1CCN(C(=O)[O-])CC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000737708258 602659800 /nfs/dbraw/zinc/65/98/00/602659800.db2.gz RQPNMHUSSVLARR-MWLCHTKSSA-N -1 0 362.404 -0.389 20 0 FBADRM C[C@H](OC(=O)C1CCN(C(=O)[O-])CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000737708261 602659701 /nfs/dbraw/zinc/65/97/01/602659701.db2.gz RQPNMHUSSVLARR-ONGXEEELSA-N -1 0 362.404 -0.389 20 0 FBADRM COC(=O)c1cccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])n1 ZINC000737708426 600264628 /nfs/dbraw/zinc/26/46/28/600264628.db2.gz LAQKBNXVVCDXRY-UHFFFAOYSA-N -1 0 351.359 -0.273 20 0 FBADRM C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)[O-] ZINC000737708621 597497552 /nfs/dbraw/zinc/49/75/52/597497552.db2.gz ZKDZQADQYAFHMW-SECBINFHSA-N -1 0 356.356 -0.563 20 0 FBADRM C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)[O-] ZINC000737708629 597497456 /nfs/dbraw/zinc/49/74/56/597497456.db2.gz ZKDZQADQYAFHMW-VIFPVBQESA-N -1 0 356.356 -0.563 20 0 FBADRM COC(=O)c1nc2n(n1)CCCN2S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737712691 599802374 /nfs/dbraw/zinc/80/23/74/599802374.db2.gz DGCDTLCDRNSPEL-UHFFFAOYSA-N -1 0 356.316 -0.045 20 0 FBADRM COC(=O)c1coc(C(=O)Cn2cnc3c(cnn3CC(=O)[O-])c2=O)c1 ZINC000737712966 600031164 /nfs/dbraw/zinc/03/11/64/600031164.db2.gz QESLCGIBTFHNDC-UHFFFAOYSA-N -1 0 360.282 -0.060 20 0 FBADRM C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1NCCO)C(=O)[O-] ZINC000737713212 597494717 /nfs/dbraw/zinc/49/47/17/597494717.db2.gz LBGRSCOULUXMCU-SECBINFHSA-N -1 0 360.388 -0.029 20 0 FBADRM C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1NCCO)C(=O)[O-] ZINC000737713215 597494736 /nfs/dbraw/zinc/49/47/36/597494736.db2.gz LBGRSCOULUXMCU-VIFPVBQESA-N -1 0 360.388 -0.029 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1C ZINC000737713855 599930939 /nfs/dbraw/zinc/93/09/39/599930939.db2.gz OLAWLUAMQINHRC-LLVKDONJSA-N -1 0 370.383 -0.255 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1C ZINC000737713860 599931052 /nfs/dbraw/zinc/93/10/52/599931052.db2.gz OLAWLUAMQINHRC-NSHDSACASA-N -1 0 370.383 -0.255 20 0 FBADRM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N(C)CC(=O)N(C)C ZINC000737714525 599854074 /nfs/dbraw/zinc/85/40/74/599854074.db2.gz SMUAFKKWSJCQJO-UHFFFAOYSA-N -1 0 364.401 -0.058 20 0 FBADRM C[C@@H](OC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)[O-] ZINC000737714828 597494711 /nfs/dbraw/zinc/49/47/11/597494711.db2.gz SZLMKCLNVFFWNQ-SECBINFHSA-N -1 0 358.372 -0.200 20 0 FBADRM C[C@H](OC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)[O-] ZINC000737714831 597494636 /nfs/dbraw/zinc/49/46/36/597494636.db2.gz SZLMKCLNVFFWNQ-VIFPVBQESA-N -1 0 358.372 -0.200 20 0 FBADRM COC(=O)c1sc(N)c(C(=O)[O-])c1COC(=O)C1CC(=O)NC(=O)C1 ZINC000737716470 599945420 /nfs/dbraw/zinc/94/54/20/599945420.db2.gz AFWKBZGSABYYIC-UHFFFAOYSA-N -1 0 370.339 -0.089 20 0 FBADRM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N1CCCNC(=O)C1 ZINC000737716495 599940629 /nfs/dbraw/zinc/94/06/29/599940629.db2.gz ARMQKSXABQKSDB-UHFFFAOYSA-N -1 0 362.385 -0.257 20 0 FBADRM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N1CCN(C)C(=O)C1 ZINC000737719185 600724385 /nfs/dbraw/zinc/72/43/85/600724385.db2.gz WLRPQGXYRSYGPL-UHFFFAOYSA-N -1 0 362.385 -0.304 20 0 FBADRM COC(=O)c1sc(N)c(C(=O)[O-])c1COC(=O)CN1CC(=O)NC1=O ZINC000737719239 600368504 /nfs/dbraw/zinc/36/85/04/600368504.db2.gz WZFBZJXQIIYOAO-UHFFFAOYSA-N -1 0 371.327 -0.590 20 0 FBADRM COC(=O)c1sc2[nH]c(CN3CC[C@H](O)C3)nc(=O)c2c1CC(=O)[O-] ZINC000737723438 600443231 /nfs/dbraw/zinc/44/32/31/600443231.db2.gz KOLHBCZTIBBIIN-ZETCQYMHSA-N -1 0 367.383 -0.035 20 0 FBADRM COC[C@](C)(O)CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000737731892 600348573 /nfs/dbraw/zinc/34/85/73/600348573.db2.gz AWGVGYSOJLDLHY-BLLLJJGKSA-N -1 0 352.343 -0.621 20 0 FBADRM COC[C@@](C)(O)CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000737731895 600348657 /nfs/dbraw/zinc/34/86/57/600348657.db2.gz AWGVGYSOJLDLHY-LRDDRELGSA-N -1 0 352.343 -0.621 20 0 FBADRM COC[C@](C)(O)CNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000737731896 600348777 /nfs/dbraw/zinc/34/87/77/600348777.db2.gz AWGVGYSOJLDLHY-MLGOLLRUSA-N -1 0 352.343 -0.621 20 0 FBADRM COC[C@@](C)(O)CNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000737731897 600348820 /nfs/dbraw/zinc/34/88/20/600348820.db2.gz AWGVGYSOJLDLHY-WBMJQRKESA-N -1 0 352.343 -0.621 20 0 FBADRM COC[C@@](C)(O)CNC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000737731981 600468670 /nfs/dbraw/zinc/46/86/70/600468670.db2.gz DPADKEIYOFBEHP-INIZCTEOSA-N -1 0 353.375 -0.051 20 0 FBADRM COC[C@](C)(O)CNC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000737731982 600468867 /nfs/dbraw/zinc/46/88/67/600468867.db2.gz DPADKEIYOFBEHP-MRXNPFEDSA-N -1 0 353.375 -0.051 20 0 FBADRM COCC(=O)Nc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000737732413 600055695 /nfs/dbraw/zinc/05/56/95/600055695.db2.gz HCWNMYWTBPYRJZ-GFCCVEGCSA-N -1 0 365.342 -0.478 20 0 FBADRM COCC(=O)Nc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000737732417 600055540 /nfs/dbraw/zinc/05/55/40/600055540.db2.gz HCWNMYWTBPYRJZ-LBPRGKRZSA-N -1 0 365.342 -0.478 20 0 FBADRM COC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000737733070 600348724 /nfs/dbraw/zinc/34/87/24/600348724.db2.gz NFOXDEAQLDFXGG-INIZCTEOSA-N -1 0 354.359 -0.089 20 0 FBADRM COC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000737733073 600348607 /nfs/dbraw/zinc/34/86/07/600348607.db2.gz NFOXDEAQLDFXGG-MRXNPFEDSA-N -1 0 354.359 -0.089 20 0 FBADRM COCC(=O)N[C@H](C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1)C(C)C ZINC000737734356 600806088 /nfs/dbraw/zinc/80/60/88/600806088.db2.gz XZHXPIWJQPQRGK-AWEZNQCLSA-N -1 0 358.391 -0.360 20 0 FBADRM COCC(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000737735297 600308837 /nfs/dbraw/zinc/30/88/37/600308837.db2.gz DWBWAFOBAAWISB-UHFFFAOYSA-N -1 0 367.333 -0.220 20 0 FBADRM NC(=O)C1(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nnn[n-]3)CC2)CC1 ZINC000737737307 598589498 /nfs/dbraw/zinc/58/94/98/598589498.db2.gz BQVCRMPAQSKUAV-UHFFFAOYSA-N -1 0 372.389 -0.354 20 0 FBADRM CO[C@@H](C)CCNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000737737576 599900395 /nfs/dbraw/zinc/90/03/95/599900395.db2.gz SVSQZCDDDKPKRP-JTQLQIEISA-N -1 0 351.359 -0.019 20 0 FBADRM CO[C@H](C)CCNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000737737578 599900417 /nfs/dbraw/zinc/90/04/17/599900417.db2.gz SVSQZCDDDKPKRP-SNVBAGLBSA-N -1 0 351.359 -0.019 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(O)(C(=O)[O-])CC1)C2=O ZINC000737740876 604753593 /nfs/dbraw/zinc/75/35/93/604753593.db2.gz BKNNRNAZFTZKCF-UHFFFAOYSA-N -1 0 367.402 -0.075 20 0 FBADRM NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[nH]n2)n1 ZINC000737747349 599262356 /nfs/dbraw/zinc/26/23/56/599262356.db2.gz LYMAODQSKZCRMD-UHFFFAOYSA-N -1 0 362.375 -0.261 20 0 FBADRM NC(=O)CCn1ccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)n1 ZINC000737747395 599262662 /nfs/dbraw/zinc/26/26/62/599262662.db2.gz MLCCTCMYOWKBNM-UHFFFAOYSA-N -1 0 362.375 -0.261 20 0 FBADRM NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000737748355 599262480 /nfs/dbraw/zinc/26/24/80/599262480.db2.gz SDEHZMKFLXLQMK-UHFFFAOYSA-N -1 0 362.375 -0.261 20 0 FBADRM NC(=O)CC(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nnn[n-]2)CC1 ZINC000737748459 598931544 /nfs/dbraw/zinc/93/15/44/598931544.db2.gz ZEYYIGPXEQXLIM-UHFFFAOYSA-N -1 0 372.345 -0.361 20 0 FBADRM COC[C@@H](C)NC(=O)NC(=O)Cn1nnc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000737748902 600988980 /nfs/dbraw/zinc/98/89/80/600988980.db2.gz PIXAPOSGLRSMTN-SECBINFHSA-N -1 0 362.346 -0.101 20 0 FBADRM COC[C@H](C)NC(=O)NC(=O)Cn1nnc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000737748903 600989039 /nfs/dbraw/zinc/98/90/39/600989039.db2.gz PIXAPOSGLRSMTN-VIFPVBQESA-N -1 0 362.346 -0.101 20 0 FBADRM NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)n1 ZINC000737748938 599261957 /nfs/dbraw/zinc/26/19/57/599261957.db2.gz SVRVDITZCBBQAU-UHFFFAOYSA-N -1 0 363.363 -0.866 20 0 FBADRM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(O)(C(=O)[O-])CC1)C2=O ZINC000737750531 604748864 /nfs/dbraw/zinc/74/88/64/604748864.db2.gz MNMOSHASWCYVKB-APPDUMDISA-N -1 0 367.402 -0.075 20 0 FBADRM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(O)(C(=O)[O-])CC1)C2=O ZINC000737750533 604748902 /nfs/dbraw/zinc/74/89/02/604748902.db2.gz MNMOSHASWCYVKB-DIFFPNOSSA-N -1 0 367.402 -0.075 20 0 FBADRM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(O)(C(=O)[O-])CC1)C2=O ZINC000737750535 604749006 /nfs/dbraw/zinc/74/90/06/604749006.db2.gz MNMOSHASWCYVKB-GTNSWQLSSA-N -1 0 367.402 -0.075 20 0 FBADRM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(O)(C(=O)[O-])CC1)C2=O ZINC000737750537 604748650 /nfs/dbraw/zinc/74/86/50/604748650.db2.gz MNMOSHASWCYVKB-PIGZYNQJSA-N -1 0 367.402 -0.075 20 0 FBADRM COC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000737751649 600655321 /nfs/dbraw/zinc/65/53/21/600655321.db2.gz HLYIARCQPFQTNB-LLVKDONJSA-N -1 0 363.370 -0.066 20 0 FBADRM COC[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000737751652 600655179 /nfs/dbraw/zinc/65/51/79/600655179.db2.gz HLYIARCQPFQTNB-NSHDSACASA-N -1 0 363.370 -0.066 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CCS1(=O)=O ZINC000737752859 602129546 /nfs/dbraw/zinc/12/95/46/602129546.db2.gz FCDLIEQHGQMNKB-JTQLQIEISA-N -1 0 354.384 -0.102 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CCS1(=O)=O ZINC000737752860 602129737 /nfs/dbraw/zinc/12/97/37/602129737.db2.gz FCDLIEQHGQMNKB-SNVBAGLBSA-N -1 0 354.384 -0.102 20 0 FBADRM COCC[C@@](C)(O)CNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000737753095 600348654 /nfs/dbraw/zinc/34/86/54/600348654.db2.gz BCQHJDLUXMTERJ-CXAGYDPISA-N -1 0 366.370 -0.231 20 0 FBADRM COCC[C@](C)(O)CNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000737753096 600348884 /nfs/dbraw/zinc/34/88/84/600348884.db2.gz BCQHJDLUXMTERJ-DYVFJYSZSA-N -1 0 366.370 -0.231 20 0 FBADRM COCC[C@](C)(O)CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000737753097 600349011 /nfs/dbraw/zinc/34/90/11/600349011.db2.gz BCQHJDLUXMTERJ-GUYCJALGSA-N -1 0 366.370 -0.231 20 0 FBADRM COCC[C@@](C)(O)CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000737753100 600350051 /nfs/dbraw/zinc/35/00/51/600350051.db2.gz BCQHJDLUXMTERJ-SUMWQHHRSA-N -1 0 366.370 -0.231 20 0 FBADRM CC(C)[C@H](C(=O)N1CCN(C(=O)C(=O)[O-])CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000737753382 658519568 /nfs/dbraw/zinc/51/95/68/658519568.db2.gz BTWXOGFPCINZJV-HZSPNIEDSA-N -1 0 355.435 -0.124 20 0 FBADRM CC(C)[C@@H](C(=O)N1CCN(C(=O)C(=O)[O-])CC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000737753383 658519896 /nfs/dbraw/zinc/51/98/96/658519896.db2.gz BTWXOGFPCINZJV-MCIONIFRSA-N -1 0 355.435 -0.124 20 0 FBADRM CC(C)[C@H](C(=O)N1CCN(C(=O)C(=O)[O-])CC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000737753384 658519863 /nfs/dbraw/zinc/51/98/63/658519863.db2.gz BTWXOGFPCINZJV-MGPQQGTHSA-N -1 0 355.435 -0.124 20 0 FBADRM CC(C)[C@@H](C(=O)N1CCN(C(=O)C(=O)[O-])CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000737753387 658519970 /nfs/dbraw/zinc/51/99/70/658519970.db2.gz BTWXOGFPCINZJV-MJBXVCDLSA-N -1 0 355.435 -0.124 20 0 FBADRM COCC[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000737753771 599796350 /nfs/dbraw/zinc/79/63/50/599796350.db2.gz JSVXWDBCRPFPLS-JTQLQIEISA-N -1 0 351.359 -0.019 20 0 FBADRM COCC[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000737753773 599796526 /nfs/dbraw/zinc/79/65/26/599796526.db2.gz JSVXWDBCRPFPLS-SNVBAGLBSA-N -1 0 351.359 -0.019 20 0 FBADRM COC[C@H](O)CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000737754126 600467820 /nfs/dbraw/zinc/46/78/20/600467820.db2.gz PNTVQUUMVBTFIV-LLVKDONJSA-N -1 0 364.445 -0.240 20 0 FBADRM COC[C@@H](O)CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000737754127 600467955 /nfs/dbraw/zinc/46/79/55/600467955.db2.gz PNTVQUUMVBTFIV-NSHDSACASA-N -1 0 364.445 -0.240 20 0 FBADRM NC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)n1 ZINC000737758180 598844094 /nfs/dbraw/zinc/84/40/94/598844094.db2.gz GXUMJDXEDXVMCW-UHFFFAOYSA-N -1 0 366.338 -0.512 20 0 FBADRM NC(=O)NCCC(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737758938 598304282 /nfs/dbraw/zinc/30/42/82/598304282.db2.gz PNOWSEONLRDJJR-UHFFFAOYSA-N -1 0 358.406 -0.431 20 0 FBADRM NC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)cn1 ZINC000737759513 598844030 /nfs/dbraw/zinc/84/40/30/598844030.db2.gz UASXLHQEBQDFIF-UHFFFAOYSA-N -1 0 366.338 -0.512 20 0 FBADRM COCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCC(=O)[O-] ZINC000737759793 600491449 /nfs/dbraw/zinc/49/14/49/600491449.db2.gz NBYGBARXQUYWTK-LLVKDONJSA-N -1 0 357.450 -0.293 20 0 FBADRM COCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCC(=O)[O-] ZINC000737759794 600491538 /nfs/dbraw/zinc/49/15/38/600491538.db2.gz NBYGBARXQUYWTK-NSHDSACASA-N -1 0 357.450 -0.293 20 0 FBADRM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000737761998 602362344 /nfs/dbraw/zinc/36/23/44/602362344.db2.gz DPKRAITUVPSIJC-GFCCVEGCSA-N -1 0 358.439 -0.282 20 0 FBADRM COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000737761999 602362687 /nfs/dbraw/zinc/36/26/87/602362687.db2.gz DPKRAITUVPSIJC-LBPRGKRZSA-N -1 0 358.439 -0.282 20 0 FBADRM COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000737762000 599918202 /nfs/dbraw/zinc/91/82/02/599918202.db2.gz DQHWYXJHUUUMQW-KBPBESRZSA-N -1 0 372.466 -0.036 20 0 FBADRM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000737762001 599918261 /nfs/dbraw/zinc/91/82/61/599918261.db2.gz DQHWYXJHUUUMQW-KGLIPLIRSA-N -1 0 372.466 -0.036 20 0 FBADRM COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](NC(=O)[O-])C(C)C)CC1 ZINC000737762002 599849603 /nfs/dbraw/zinc/84/96/03/599849603.db2.gz DQHWYXJHUUUMQW-UONOGXRCSA-N -1 0 372.466 -0.036 20 0 FBADRM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](NC(=O)[O-])C(C)C)CC1 ZINC000737762003 599849613 /nfs/dbraw/zinc/84/96/13/599849613.db2.gz DQHWYXJHUUUMQW-ZIAGYGMSSA-N -1 0 372.466 -0.036 20 0 FBADRM COCCCNC(=O)[C@@H](C)N1CCN(Cn2cc(C(=O)[O-])nn2)CC1 ZINC000737763463 600426525 /nfs/dbraw/zinc/42/65/25/600426525.db2.gz YFLRPOOVSAVDEO-GFCCVEGCSA-N -1 0 354.411 -0.907 20 0 FBADRM COCCCNC(=O)[C@H](C)N1CCN(Cn2cc(C(=O)[O-])nn2)CC1 ZINC000737763465 600426562 /nfs/dbraw/zinc/42/65/62/600426562.db2.gz YFLRPOOVSAVDEO-LBPRGKRZSA-N -1 0 354.411 -0.907 20 0 FBADRM COCCCNC(=O)[C@@H](C)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC000737763539 600079763 /nfs/dbraw/zinc/07/97/63/600079763.db2.gz ZAWBAFXIOJLTAC-GFCCVEGCSA-N -1 0 351.407 -0.162 20 0 FBADRM COCCCNC(=O)[C@H](C)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC000737763541 600079894 /nfs/dbraw/zinc/07/98/94/600079894.db2.gz ZAWBAFXIOJLTAC-LBPRGKRZSA-N -1 0 351.407 -0.162 20 0 FBADRM C[C@H]1NC(C(=O)N2CCC(O)(C(=O)[O-])CC2)=NN(c2ccccc2)C1=O ZINC000737763699 604744874 /nfs/dbraw/zinc/74/48/74/604744874.db2.gz CMMCGRCPAAQSCI-LLVKDONJSA-N -1 0 360.370 -0.237 20 0 FBADRM C[C@@H]1NC(C(=O)N2CCC(O)(C(=O)[O-])CC2)=NN(c2ccccc2)C1=O ZINC000737763700 604745264 /nfs/dbraw/zinc/74/52/64/604745264.db2.gz CMMCGRCPAAQSCI-NSHDSACASA-N -1 0 360.370 -0.237 20 0 FBADRM NS(=O)(=O)CCN1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000737764440 598983224 /nfs/dbraw/zinc/98/32/24/598983224.db2.gz GVFVQEQLBACOGL-UHFFFAOYSA-N -1 0 368.423 -0.857 20 0 FBADRM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000737764622 600584132 /nfs/dbraw/zinc/58/41/32/600584132.db2.gz JKUJLWJFHCIKBY-SECBINFHSA-N -1 0 360.388 -0.096 20 0 FBADRM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000737764626 600584080 /nfs/dbraw/zinc/58/40/80/600584080.db2.gz JKUJLWJFHCIKBY-VIFPVBQESA-N -1 0 360.388 -0.096 20 0 FBADRM NC(=O)c1cnc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)s1 ZINC000737764712 598438522 /nfs/dbraw/zinc/43/85/22/598438522.db2.gz NQBWVCIEYMRPTK-UHFFFAOYSA-N -1 0 352.361 -0.382 20 0 FBADRM COCCN(C(C)=O)c1nc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cs1 ZINC000737765121 600284424 /nfs/dbraw/zinc/28/44/24/600284424.db2.gz ODFDPXLWQXTCBL-GFCCVEGCSA-N -1 0 370.431 -0.083 20 0 FBADRM COCCN(C(C)=O)c1nc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cs1 ZINC000737765122 600284512 /nfs/dbraw/zinc/28/45/12/600284512.db2.gz ODFDPXLWQXTCBL-LBPRGKRZSA-N -1 0 370.431 -0.083 20 0 FBADRM COCCN(C(=O)CCNC(=O)[O-])c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000737765713 599708799 /nfs/dbraw/zinc/70/87/99/599708799.db2.gz SNNNPVSLLNGXPE-UHFFFAOYSA-N -1 0 371.394 -0.176 20 0 FBADRM COCCN(C(=O)CN1CCC(C(=O)[O-])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000737766247 599967181 /nfs/dbraw/zinc/96/71/81/599967181.db2.gz XJWNKPTXNXILMD-CYBMUJFWSA-N -1 0 362.448 -0.555 20 0 FBADRM COCCN(C(=O)CN1CCC(C(=O)[O-])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000737766250 599967164 /nfs/dbraw/zinc/96/71/64/599967164.db2.gz XJWNKPTXNXILMD-ZDUSSCGKSA-N -1 0 362.448 -0.555 20 0 FBADRM COCCN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000737766255 599708406 /nfs/dbraw/zinc/70/84/06/599708406.db2.gz XOOCSNCBZKKJDT-CHWSQXEVSA-N -1 0 362.448 -0.555 20 0 FBADRM COCCN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000737766262 599708244 /nfs/dbraw/zinc/70/82/44/599708244.db2.gz XOOCSNCBZKKJDT-OLZOCXBDSA-N -1 0 362.448 -0.555 20 0 FBADRM COCCN(C(=O)CN1CCC[C@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000737766267 600845560 /nfs/dbraw/zinc/84/55/60/600845560.db2.gz XOOCSNCBZKKJDT-QWHCGFSZSA-N -1 0 362.448 -0.555 20 0 FBADRM COCCN(C(=O)CN1CCC[C@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000737766272 600845502 /nfs/dbraw/zinc/84/55/02/600845502.db2.gz XOOCSNCBZKKJDT-STQMWFEESA-N -1 0 362.448 -0.555 20 0 FBADRM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000737766482 599977686 /nfs/dbraw/zinc/97/76/86/599977686.db2.gz ZMNYECYDCJKFCZ-JTQLQIEISA-N -1 0 360.388 -0.339 20 0 FBADRM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000737766484 599977655 /nfs/dbraw/zinc/97/76/55/599977655.db2.gz ZMNYECYDCJKFCZ-SNVBAGLBSA-N -1 0 360.388 -0.339 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000737767583 600382112 /nfs/dbraw/zinc/38/21/12/600382112.db2.gz CMTQPEHNQALYHD-CYBMUJFWSA-N -1 0 366.349 -0.195 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000737767586 600382351 /nfs/dbraw/zinc/38/23/51/600382351.db2.gz CMTQPEHNQALYHD-ZDUSSCGKSA-N -1 0 366.349 -0.195 20 0 FBADRM COCCN(CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])C(=O)OC(C)(C)C ZINC000737768095 600413029 /nfs/dbraw/zinc/41/30/29/600413029.db2.gz PXLLMKRHPGDLNX-LLVKDONJSA-N -1 0 373.406 -0.328 20 0 FBADRM COCCN(CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])C(=O)OC(C)(C)C ZINC000737768098 600413217 /nfs/dbraw/zinc/41/32/17/600413217.db2.gz PXLLMKRHPGDLNX-NSHDSACASA-N -1 0 373.406 -0.328 20 0 FBADRM COCCN(CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])[C@H](C)C(N)=O ZINC000737768435 599992734 /nfs/dbraw/zinc/99/27/34/599992734.db2.gz SZKWPVJXRKGQJD-DOMZBBRYSA-N -1 0 363.414 -0.153 20 0 FBADRM COCCN(CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])[C@H](C)C(N)=O ZINC000737768436 599992978 /nfs/dbraw/zinc/99/29/78/599992978.db2.gz SZKWPVJXRKGQJD-IUODEOHRSA-N -1 0 363.414 -0.153 20 0 FBADRM COCCN(CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])[C@@H](C)C(N)=O ZINC000737768437 599992934 /nfs/dbraw/zinc/99/29/34/599992934.db2.gz SZKWPVJXRKGQJD-SWLSCSKDSA-N -1 0 363.414 -0.153 20 0 FBADRM COCCN(CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])[C@@H](C)C(N)=O ZINC000737768438 599992965 /nfs/dbraw/zinc/99/29/65/599992965.db2.gz SZKWPVJXRKGQJD-WFASDCNBSA-N -1 0 363.414 -0.153 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000737770131 600773103 /nfs/dbraw/zinc/77/31/03/600773103.db2.gz AXOMTIDDIXHQMC-UHFFFAOYSA-N -1 0 373.406 -0.375 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000737770144 600422893 /nfs/dbraw/zinc/42/28/93/600422893.db2.gz FDOFUPLPIDJMIW-UHFFFAOYSA-N -1 0 356.356 -0.609 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000737770247 600385999 /nfs/dbraw/zinc/38/59/99/600385999.db2.gz VCRIMTRYCSACQC-UHFFFAOYSA-N -1 0 369.399 -0.373 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)Cc1c(C)[nH]c2nn(C)c(=O)c-2c1C ZINC000737770271 600421797 /nfs/dbraw/zinc/42/17/97/600421797.db2.gz XPTQTVNWWOYNQI-UHFFFAOYSA-N -1 0 350.375 -0.019 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1 ZINC000737771544 600422913 /nfs/dbraw/zinc/42/29/13/600422913.db2.gz ZHNGYZLLQYAOJK-NSHDSACASA-N -1 0 374.415 -0.078 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)CCc1c(C)nc2nc(N)nn2c1C ZINC000737772029 600420066 /nfs/dbraw/zinc/42/00/66/600420066.db2.gz PNWNZKUUCMRMJX-UHFFFAOYSA-N -1 0 350.379 -0.184 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000737772033 600420169 /nfs/dbraw/zinc/42/01/69/600420169.db2.gz RLKOZSDXVPGFSO-AWEZNQCLSA-N -1 0 371.434 -0.741 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000737772034 600420061 /nfs/dbraw/zinc/42/00/61/600420061.db2.gz RLKOZSDXVPGFSO-CQSZACIVSA-N -1 0 371.434 -0.741 20 0 FBADRM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000737775647 659022784 /nfs/dbraw/zinc/02/27/84/659022784.db2.gz DGEQIIYCSLVQEP-GHMZBOCLSA-N -1 0 357.432 -0.311 20 0 FBADRM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000737775648 659023957 /nfs/dbraw/zinc/02/39/57/659023957.db2.gz DGEQIIYCSLVQEP-MNOVXSKESA-N -1 0 357.432 -0.311 20 0 FBADRM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000737775649 659023411 /nfs/dbraw/zinc/02/34/11/659023411.db2.gz DGEQIIYCSLVQEP-QWRGUYRKSA-N -1 0 357.432 -0.311 20 0 FBADRM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000737775650 659023367 /nfs/dbraw/zinc/02/33/67/659023367.db2.gz DGEQIIYCSLVQEP-WDEREUQCSA-N -1 0 357.432 -0.311 20 0 FBADRM Nc1c(-c2nn[nH]n2)cnn1-c1ccc(C(=O)NCc2nnn[n-]2)cc1 ZINC000737776409 598697099 /nfs/dbraw/zinc/69/70/99/598697099.db2.gz MGORPFKSVGINBC-UHFFFAOYSA-N -1 0 352.322 -0.922 20 0 FBADRM COCCN(CC(=O)[O-])CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000737777583 600395381 /nfs/dbraw/zinc/39/53/81/600395381.db2.gz FSPKFOIKRXJWFO-UHFFFAOYSA-N -1 0 370.406 -0.449 20 0 FBADRM COCCN(CC(=O)[O-])CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000737777586 600395917 /nfs/dbraw/zinc/39/59/17/600395917.db2.gz FYHCRMBCGOTJJX-UHFFFAOYSA-N -1 0 371.415 -0.744 20 0 FBADRM COCCN(CC(=O)[O-])CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000737777803 600395390 /nfs/dbraw/zinc/39/53/90/600395390.db2.gz QFILERXNHFKCEN-UHFFFAOYSA-N -1 0 373.431 -0.078 20 0 FBADRM COCCN(CC(=O)[O-])CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000737777932 600448060 /nfs/dbraw/zinc/44/80/60/600448060.db2.gz RCVCOAQQXCWASN-UHFFFAOYSA-N -1 0 355.435 -0.120 20 0 FBADRM COCCN(CC(=O)[O-])Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC000737779074 600395780 /nfs/dbraw/zinc/39/57/80/600395780.db2.gz HUDQDKUYTSFDMC-UHFFFAOYSA-N -1 0 369.403 -0.401 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000737785258 600621294 /nfs/dbraw/zinc/62/12/94/600621294.db2.gz LYPKUSBOOXPFSX-UHFFFAOYSA-N -1 0 357.388 -0.566 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000737785604 600633258 /nfs/dbraw/zinc/63/32/58/600633258.db2.gz COWBXLJFESANHU-UHFFFAOYSA-N -1 0 350.418 -0.112 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000737785714 600620770 /nfs/dbraw/zinc/62/07/70/600620770.db2.gz FPCFEDPTQRGRQN-UHFFFAOYSA-N -1 0 359.404 -0.348 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000737785880 600632368 /nfs/dbraw/zinc/63/23/68/600632368.db2.gz NDWZGGIFHKYJQC-UHFFFAOYSA-N -1 0 367.362 -0.756 20 0 FBADRM CCC(CC)[C@@H](C(=O)N1CCN(C(=O)C(=O)[O-])CC1)N1CCOCC1 ZINC000737785901 659876467 /nfs/dbraw/zinc/87/64/67/659876467.db2.gz GAQUXDUTAWWLEY-AWEZNQCLSA-N -1 0 355.435 -0.121 20 0 FBADRM CCC(CC)[C@H](C(=O)N1CCN(C(=O)C(=O)[O-])CC1)N1CCOCC1 ZINC000737785902 659876594 /nfs/dbraw/zinc/87/65/94/659876594.db2.gz GAQUXDUTAWWLEY-CQSZACIVSA-N -1 0 355.435 -0.121 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000737786319 600621338 /nfs/dbraw/zinc/62/13/38/600621338.db2.gz PUSYJUOSXFVDHF-UHFFFAOYSA-N -1 0 357.388 -0.566 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000737786988 600618519 /nfs/dbraw/zinc/61/85/19/600618519.db2.gz SYJXBICRINQXKO-UHFFFAOYSA-N -1 0 351.363 -0.049 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000737788816 600633341 /nfs/dbraw/zinc/63/33/41/600633341.db2.gz JLXAPIWLOFGOGY-UHFFFAOYSA-N -1 0 370.383 -0.219 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)CNS(=O)(=O)c1cccs1 ZINC000737789022 600633255 /nfs/dbraw/zinc/63/32/55/600633255.db2.gz KBEYXXVDXYCAOE-UHFFFAOYSA-N -1 0 350.418 -0.024 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000737797296 600623593 /nfs/dbraw/zinc/62/35/93/600623593.db2.gz HHBGDCWZCUVIRO-UHFFFAOYSA-N -1 0 364.358 -0.805 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000737798353 600633781 /nfs/dbraw/zinc/63/37/81/600633781.db2.gz LSYUCALHLVOFPE-UHFFFAOYSA-N -1 0 350.331 -0.403 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000737799460 600632502 /nfs/dbraw/zinc/63/25/02/600632502.db2.gz KLDOPQBSMNXRHJ-UHFFFAOYSA-N -1 0 366.374 -0.861 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000737799507 600621275 /nfs/dbraw/zinc/62/12/75/600621275.db2.gz SHXRJMBLOALZSH-UHFFFAOYSA-N -1 0 364.358 -0.805 20 0 FBADRM CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000737800903 660114925 /nfs/dbraw/zinc/11/49/25/660114925.db2.gz ZWUNKNMDNQAHSM-CSXHZRMWSA-N -1 0 369.443 0.000 20 0 FBADRM CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000737800905 660114794 /nfs/dbraw/zinc/11/47/94/660114794.db2.gz ZWUNKNMDNQAHSM-KBVBDRTLSA-N -1 0 369.443 0.000 20 0 FBADRM CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000737800907 660114993 /nfs/dbraw/zinc/11/49/93/660114993.db2.gz ZWUNKNMDNQAHSM-MCWZUMHDSA-N -1 0 369.443 0.000 20 0 FBADRM CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000737800909 660114927 /nfs/dbraw/zinc/11/49/27/660114927.db2.gz ZWUNKNMDNQAHSM-QNCMIEPLSA-N -1 0 369.443 0.000 20 0 FBADRM O=C(C=Cc1ccccc1-c1nn[nH]n1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000737802436 598690637 /nfs/dbraw/zinc/69/06/37/598690637.db2.gz WUJZYTMMVCGTJX-BTDICHCPSA-N -1 0 353.346 -0.007 20 0 FBADRM O=C(C=Cc1ccccc1-c1nn[nH]n1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000737802440 598690867 /nfs/dbraw/zinc/69/08/67/598690867.db2.gz WUJZYTMMVCGTJX-FJOGCWAESA-N -1 0 353.346 -0.007 20 0 FBADRM O=C(C=Cc1ccccc1-c1nn[nH]n1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000737802445 598691057 /nfs/dbraw/zinc/69/10/57/598691057.db2.gz WUJZYTMMVCGTJX-FOQNGQEVSA-N -1 0 353.346 -0.007 20 0 FBADRM O=C(C=Cc1ccccc1-c1nn[nH]n1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000737802448 598690783 /nfs/dbraw/zinc/69/07/83/598690783.db2.gz WUJZYTMMVCGTJX-FYJFLYSWSA-N -1 0 353.346 -0.007 20 0 FBADRM COCCN1C(=O)c2ccc(C(=O)NC[C@@H](C)C(=O)[O-])cc2S1(=O)=O ZINC000737807706 599781367 /nfs/dbraw/zinc/78/13/67/599781367.db2.gz IZDLOTQDARKDJL-SECBINFHSA-N -1 0 370.383 -0.072 20 0 FBADRM COCCN1C(=O)c2ccc(C(=O)NC[C@H](C)C(=O)[O-])cc2S1(=O)=O ZINC000737807711 599781221 /nfs/dbraw/zinc/78/12/21/599781221.db2.gz IZDLOTQDARKDJL-VIFPVBQESA-N -1 0 370.383 -0.072 20 0 FBADRM COCCN1C(=O)c2ccc(C(=O)OCCNC(=O)[O-])cc2S1(=O)=O ZINC000737810798 602214997 /nfs/dbraw/zinc/21/49/97/602214997.db2.gz VKHMFEHAIHGVNN-UHFFFAOYSA-N -1 0 372.355 -0.098 20 0 FBADRM CCCCC(=O)N1CSC[C@@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000737810945 660140921 /nfs/dbraw/zinc/14/09/21/660140921.db2.gz LPFLAUSLEDVSLG-LLVKDONJSA-N -1 0 357.432 -0.167 20 0 FBADRM CCCCC(=O)N1CSC[C@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000737810948 660140875 /nfs/dbraw/zinc/14/08/75/660140875.db2.gz LPFLAUSLEDVSLG-NSHDSACASA-N -1 0 357.432 -0.167 20 0 FBADRM COCCNS(=O)(=O)c1cccc(CNC(=O)CCNC(=O)[O-])c1 ZINC000737812676 600395511 /nfs/dbraw/zinc/39/55/11/600395511.db2.gz NDNWWDGTWFHPFE-UHFFFAOYSA-N -1 0 359.404 -0.115 20 0 FBADRM COCCNS(=O)(=O)c1cccc(CNC(=O)CN(C)C(=O)[O-])c1 ZINC000737814012 603015583 /nfs/dbraw/zinc/01/55/83/603015583.db2.gz YIKXJKONDMVPLX-UHFFFAOYSA-N -1 0 359.404 -0.163 20 0 FBADRM COCCNS(=O)(=O)c1cccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC000737814034 600395523 /nfs/dbraw/zinc/39/55/23/600395523.db2.gz YXIDDUSEUJEBLC-OLZOCXBDSA-N -1 0 356.400 -0.052 20 0 FBADRM COCCNS(=O)(=O)c1cccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000737814035 600395655 /nfs/dbraw/zinc/39/56/55/600395655.db2.gz YXIDDUSEUJEBLC-QWHCGFSZSA-N -1 0 356.400 -0.052 20 0 FBADRM COCCNS(=O)(=O)c1cccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC000737814036 600395685 /nfs/dbraw/zinc/39/56/85/600395685.db2.gz YXIDDUSEUJEBLC-STQMWFEESA-N -1 0 356.400 -0.052 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000737814531 599743475 /nfs/dbraw/zinc/74/34/75/599743475.db2.gz KGSYPOXIMCTNPY-GFCCVEGCSA-N -1 0 360.388 -0.905 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000737814534 599743417 /nfs/dbraw/zinc/74/34/17/599743417.db2.gz KGSYPOXIMCTNPY-LBPRGKRZSA-N -1 0 360.388 -0.905 20 0 FBADRM COCCNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000737815019 600112097 /nfs/dbraw/zinc/11/20/97/600112097.db2.gz MXPOYCIVQGWJPS-OLZOCXBDSA-N -1 0 356.400 -0.052 20 0 FBADRM COCCNS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000737815021 600111984 /nfs/dbraw/zinc/11/19/84/600111984.db2.gz MXPOYCIVQGWJPS-QWHCGFSZSA-N -1 0 356.400 -0.052 20 0 FBADRM COCCNS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000737815025 600112161 /nfs/dbraw/zinc/11/21/61/600112161.db2.gz MXPOYCIVQGWJPS-STQMWFEESA-N -1 0 356.400 -0.052 20 0 FBADRM COCCNC(=O)CNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000737815069 600299374 /nfs/dbraw/zinc/29/93/74/600299374.db2.gz NFDMNMONLUNKDJ-UHFFFAOYSA-N -1 0 357.750 -0.145 20 0 FBADRM COCCNC(=O)CNC(=O)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737815235 600360869 /nfs/dbraw/zinc/36/08/69/600360869.db2.gz NZAIOQHSMFESNH-UHFFFAOYSA-N -1 0 366.374 -0.386 20 0 FBADRM COCCNC(=O)CNC(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737815726 600360900 /nfs/dbraw/zinc/36/09/00/600360900.db2.gz USIVYBNDESLNDI-UHFFFAOYSA-N -1 0 352.347 -0.729 20 0 FBADRM COCCNS(=O)(=O)c1ccc(CNC(=O)CCNC(=O)[O-])cc1 ZINC000737815741 599747203 /nfs/dbraw/zinc/74/72/03/599747203.db2.gz VISWMEUNEYMCNC-UHFFFAOYSA-N -1 0 359.404 -0.115 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000737815743 600758268 /nfs/dbraw/zinc/75/82/68/600758268.db2.gz VJGIAXIAEWUPNJ-UHFFFAOYSA-N -1 0 359.404 -0.124 20 0 FBADRM COCCNC(=O)CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737815757 599721560 /nfs/dbraw/zinc/72/15/60/599721560.db2.gz WIJTYODKNUGVQF-UHFFFAOYSA-N -1 0 356.310 -0.267 20 0 FBADRM COCCOc1ccccc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000737820975 600052776 /nfs/dbraw/zinc/05/27/76/600052776.db2.gz LEOPTXYKBUDEFR-CYBMUJFWSA-N -1 0 352.343 -0.038 20 0 FBADRM COCCOc1ccccc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000737820977 600052715 /nfs/dbraw/zinc/05/27/15/600052715.db2.gz LEOPTXYKBUDEFR-ZDUSSCGKSA-N -1 0 352.343 -0.038 20 0 FBADRM COCCOc1cccc(CNC(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000737822619 600138701 /nfs/dbraw/zinc/13/87/01/600138701.db2.gz WRYPLFZJBZYWFF-HIFRSBDPSA-N -1 0 352.387 -0.152 20 0 FBADRM COCCOc1cccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000737822646 600053298 /nfs/dbraw/zinc/05/32/98/600053298.db2.gz XKZGRJCHUSSVPH-CYBMUJFWSA-N -1 0 352.343 -0.038 20 0 FBADRM COCCOc1cccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000737822647 600053321 /nfs/dbraw/zinc/05/33/21/600053321.db2.gz XKZGRJCHUSSVPH-ZDUSSCGKSA-N -1 0 352.343 -0.038 20 0 FBADRM COCCS(=O)(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC000737823040 600395294 /nfs/dbraw/zinc/39/52/94/600395294.db2.gz CYLLSWZTJHFXHF-UHFFFAOYSA-N -1 0 352.390 -0.562 20 0 FBADRM COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000737823377 600335433 /nfs/dbraw/zinc/33/54/33/600335433.db2.gz HKVGMJNUDMPLRL-UHFFFAOYSA-N -1 0 358.372 -0.364 20 0 FBADRM COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000737824590 600347627 /nfs/dbraw/zinc/34/76/27/600347627.db2.gz XSFPLTJFBZGVAJ-JTQLQIEISA-N -1 0 372.399 -0.118 20 0 FBADRM COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000737824597 600347619 /nfs/dbraw/zinc/34/76/19/600347619.db2.gz XSFPLTJFBZGVAJ-SNVBAGLBSA-N -1 0 372.399 -0.118 20 0 FBADRM COCCOc1ncccc1NC(=O)C(=O)N1CCN(C(=O)[O-])CC1 ZINC000737824876 602260219 /nfs/dbraw/zinc/26/02/19/602260219.db2.gz CNOFBIKZUZAVOM-UHFFFAOYSA-N -1 0 352.347 -0.133 20 0 FBADRM COCCn1c(N)c(C(=O)CN2CCC[C@@H](C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000737825604 600101484 /nfs/dbraw/zinc/10/14/84/600101484.db2.gz AVXACOWIMUSOJT-SECBINFHSA-N -1 0 354.363 -0.843 20 0 FBADRM COCCn1c(N)c(C(=O)CN2CCC[C@H](C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000737825613 601034181 /nfs/dbraw/zinc/03/41/81/601034181.db2.gz AVXACOWIMUSOJT-VIFPVBQESA-N -1 0 354.363 -0.843 20 0 FBADRM COCCn1cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])ccc1=O ZINC000737825668 600263923 /nfs/dbraw/zinc/26/39/23/600263923.db2.gz CCEPCKUHUXFWPB-UHFFFAOYSA-N -1 0 367.402 -0.646 20 0 FBADRM COCCOc1ncccc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000737826045 600052484 /nfs/dbraw/zinc/05/24/84/600052484.db2.gz QLCSDHDMIVWKGV-LLVKDONJSA-N -1 0 353.331 -0.643 20 0 FBADRM COCCOc1ncccc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000737826046 600052672 /nfs/dbraw/zinc/05/26/72/600052672.db2.gz QLCSDHDMIVWKGV-NSHDSACASA-N -1 0 353.331 -0.643 20 0 FBADRM COCCn1c(N)c(C(=O)CN2CCCC[C@H]2CC(=O)[O-])c(=O)[nH]c1=O ZINC000737827137 600087408 /nfs/dbraw/zinc/08/74/08/600087408.db2.gz QYKJPLHMFQZTOS-JTQLQIEISA-N -1 0 368.390 -0.311 20 0 FBADRM COCCn1c(N)c(C(=O)CN2CCCC[C@@H]2CC(=O)[O-])c(=O)[nH]c1=O ZINC000737827140 600087577 /nfs/dbraw/zinc/08/75/77/600087577.db2.gz QYKJPLHMFQZTOS-SNVBAGLBSA-N -1 0 368.390 -0.311 20 0 FBADRM O=C(CCc1[nH]c(O)nc1O)NCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000737827181 599245096 /nfs/dbraw/zinc/24/50/96/599245096.db2.gz XKPKGIKYYZONQC-LLVKDONJSA-N -1 0 359.346 -0.650 20 0 FBADRM O=C(CCc1[nH]c(O)nc1O)NCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000737827183 599245550 /nfs/dbraw/zinc/24/55/50/599245550.db2.gz XKPKGIKYYZONQC-NSHDSACASA-N -1 0 359.346 -0.650 20 0 FBADRM COCCOc1ccc(CNC(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000737827948 600141927 /nfs/dbraw/zinc/14/19/27/600141927.db2.gz BMDBUWLJNUTCOK-HIFRSBDPSA-N -1 0 352.387 -0.152 20 0 FBADRM COCCOc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000737828049 600055118 /nfs/dbraw/zinc/05/51/18/600055118.db2.gz DGPQPZSAJVRJSB-CYBMUJFWSA-N -1 0 352.343 -0.038 20 0 FBADRM COCCOc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000737828050 600054110 /nfs/dbraw/zinc/05/41/10/600054110.db2.gz DGPQPZSAJVRJSB-ZDUSSCGKSA-N -1 0 352.343 -0.038 20 0 FBADRM COCCOc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC000737828619 600053355 /nfs/dbraw/zinc/05/33/55/600053355.db2.gz JRZCTECVJRIZJS-LLVKDONJSA-N -1 0 353.331 -0.643 20 0 FBADRM COCCOc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC000737828620 600053502 /nfs/dbraw/zinc/05/35/02/600053502.db2.gz JRZCTECVJRIZJS-NSHDSACASA-N -1 0 353.331 -0.643 20 0 FBADRM CON(C)S(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000737834476 599946379 /nfs/dbraw/zinc/94/63/79/599946379.db2.gz CDJXUZBHCHABID-GFCCVEGCSA-N -1 0 358.372 -0.206 20 0 FBADRM CON(C)S(=O)(=O)c1cccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000737834478 599946394 /nfs/dbraw/zinc/94/63/94/599946394.db2.gz CDJXUZBHCHABID-LBPRGKRZSA-N -1 0 358.372 -0.206 20 0 FBADRM CON(C)S(=O)(=O)c1cc(C(=O)N[C@H](CO)C(=O)[O-])ccc1Cl ZINC000737834539 599745243 /nfs/dbraw/zinc/74/52/43/599745243.db2.gz GBXBQBFGKSMMOK-SECBINFHSA-N -1 0 366.779 -0.303 20 0 FBADRM CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H](CO)C(=O)[O-])ccc1Cl ZINC000737834540 599745231 /nfs/dbraw/zinc/74/52/31/599745231.db2.gz GBXBQBFGKSMMOK-VIFPVBQESA-N -1 0 366.779 -0.303 20 0 FBADRM CON(C)S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000737835721 599946034 /nfs/dbraw/zinc/94/60/34/599946034.db2.gz LKIJJMNWGFBEHA-GFCCVEGCSA-N -1 0 358.372 -0.206 20 0 FBADRM CON(C)S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000737835722 599946035 /nfs/dbraw/zinc/94/60/35/599946035.db2.gz LKIJJMNWGFBEHA-LBPRGKRZSA-N -1 0 358.372 -0.206 20 0 FBADRM CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000737836258 600343560 /nfs/dbraw/zinc/34/35/60/600343560.db2.gz PISIMLWZUFYPRR-SECBINFHSA-N -1 0 373.387 -0.356 20 0 FBADRM CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000737836259 600343567 /nfs/dbraw/zinc/34/35/67/600343567.db2.gz PISIMLWZUFYPRR-VIFPVBQESA-N -1 0 373.387 -0.356 20 0 FBADRM CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000737836301 600332449 /nfs/dbraw/zinc/33/24/49/600332449.db2.gz QEADJDQYFCKNGN-UHFFFAOYSA-N -1 0 359.360 -0.602 20 0 FBADRM CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCC(=O)[O-])cc1 ZINC000737836359 600336407 /nfs/dbraw/zinc/33/64/07/600336407.db2.gz RNFOYHOWKRKNTF-UHFFFAOYSA-N -1 0 373.387 -0.212 20 0 FBADRM CON(C)S(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1 ZINC000737836792 660114872 /nfs/dbraw/zinc/11/48/72/660114872.db2.gz UYKCHCJCBXKDLS-UHFFFAOYSA-N -1 0 369.359 -0.134 20 0 FBADRM O=C(CCCS(=O)(=O)N1CCCC1)N=c1cc[nH]cc1-c1nnn[n-]1 ZINC000737837232 599256130 /nfs/dbraw/zinc/25/61/30/599256130.db2.gz UDPXROZXHQFFTK-UHFFFAOYSA-N -1 0 365.419 -0.172 20 0 FBADRM O=C(CCN1C(=O)NC2(CCCC2)C1=O)N=c1cc[nH]cc1-c1nnn[n-]1 ZINC000737839436 599252189 /nfs/dbraw/zinc/25/21/89/599252189.db2.gz SINCQKGUVQJRFW-UHFFFAOYSA-N -1 0 370.373 -0.123 20 0 FBADRM CON(C)S(=O)(=O)c1cccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c1 ZINC000737840198 600183645 /nfs/dbraw/zinc/18/36/45/600183645.db2.gz SRNFTSOEFMGFFK-UHFFFAOYSA-N -1 0 369.359 -0.134 20 0 FBADRM O=C(CCN1CCCC1=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737842937 598536563 /nfs/dbraw/zinc/53/65/63/598536563.db2.gz FTXFGOAXLJNCKQ-UHFFFAOYSA-N -1 0 364.387 -0.316 20 0 FBADRM O=C(CCN1CCCC1=O)[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737843904 598536569 /nfs/dbraw/zinc/53/65/69/598536569.db2.gz OSGIJSQYHCDIKL-UHFFFAOYSA-N -1 0 364.387 -0.316 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)O[C@@H](C)C(=O)[O-])c1 ZINC000737846867 597495597 /nfs/dbraw/zinc/49/55/97/597495597.db2.gz XLBUDBNAFFUBRN-JTQLQIEISA-N -1 0 360.388 -0.105 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)O[C@H](C)C(=O)[O-])c1 ZINC000737846869 597495715 /nfs/dbraw/zinc/49/57/15/597495715.db2.gz XLBUDBNAFFUBRN-SNVBAGLBSA-N -1 0 360.388 -0.105 20 0 FBADRM COc1cc(C(=O)NCC(=O)N[C@H](CO)C(=O)[O-])cc(OC)c1OC ZINC000737848541 599742924 /nfs/dbraw/zinc/74/29/24/599742924.db2.gz CGNJBJDRBGLLIQ-SECBINFHSA-N -1 0 356.331 -0.996 20 0 FBADRM COc1cc(C(=O)NCC(=O)N[C@@H](CO)C(=O)[O-])cc(OC)c1OC ZINC000737848542 599743051 /nfs/dbraw/zinc/74/30/51/599743051.db2.gz CGNJBJDRBGLLIQ-VIFPVBQESA-N -1 0 356.331 -0.996 20 0 FBADRM O=C(CCNS(=O)(=O)c1ccccc1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC000737849204 660536921 /nfs/dbraw/zinc/53/69/21/660536921.db2.gz ZJAPKHSIZHZJPM-GFCCVEGCSA-N -1 0 366.403 -0.532 20 0 FBADRM O=C(CCNS(=O)(=O)c1ccccc1)N1CCOC[C@H]1c1nnn[n-]1 ZINC000737849205 660536776 /nfs/dbraw/zinc/53/67/76/660536776.db2.gz ZJAPKHSIZHZJPM-LBPRGKRZSA-N -1 0 366.403 -0.532 20 0 FBADRM O=C(CCc1ccc(-c2nn[nH]n2)cc1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000737850945 598690550 /nfs/dbraw/zinc/69/05/50/598690550.db2.gz CKHMXUCEBJRZTP-GFCCVEGCSA-N -1 0 355.362 -0.088 20 0 FBADRM O=C(CCc1ccc(-c2nn[nH]n2)cc1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000737850948 598691063 /nfs/dbraw/zinc/69/10/63/598691063.db2.gz CKHMXUCEBJRZTP-LBPRGKRZSA-N -1 0 355.362 -0.088 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)CN2C(=O)C(=O)N(C)C2=O)c1OC ZINC000737851591 600875100 /nfs/dbraw/zinc/87/51/00/600875100.db2.gz BVGSWIPAXKEEHJ-UHFFFAOYSA-N -1 0 365.298 -0.239 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)CNC(=O)CNC(C)=O)c1OC ZINC000737851618 600931560 /nfs/dbraw/zinc/93/15/60/600931560.db2.gz CXFCRZXGMWCUCQ-UHFFFAOYSA-N -1 0 353.331 -0.407 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737857688 602127135 /nfs/dbraw/zinc/12/71/35/602127135.db2.gz KUUCPGCMGFRTFW-UHFFFAOYSA-N -1 0 357.388 -0.692 20 0 FBADRM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CCS(=O)(=O)CC1 ZINC000737861239 600031166 /nfs/dbraw/zinc/03/11/66/600031166.db2.gz BLEIPXRWAZDBHS-GFCCVEGCSA-N -1 0 359.400 -0.137 20 0 FBADRM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CCS(=O)(=O)CC1 ZINC000737861240 600031030 /nfs/dbraw/zinc/03/10/30/600031030.db2.gz BLEIPXRWAZDBHS-LBPRGKRZSA-N -1 0 359.400 -0.137 20 0 FBADRM O=C(CCn1nnc2ccccc2c1=O)N=c1cc[nH]cc1-c1nnn[n-]1 ZINC000737862945 598380612 /nfs/dbraw/zinc/38/06/12/598380612.db2.gz PSKULPAVTWLDDJ-UHFFFAOYSA-N -1 0 363.341 -0.183 20 0 FBADRM CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000737863848 601228601 /nfs/dbraw/zinc/22/86/01/601228601.db2.gz ZWFUDVYXVPRTTE-UHFFFAOYSA-N -1 0 362.335 -0.437 20 0 FBADRM COc1cc(C)nc(N2CCN(Cn3nc(C(=O)[O-])ccc3=O)CC2)n1 ZINC000737868072 600559212 /nfs/dbraw/zinc/55/92/12/600559212.db2.gz QGFFTQVUUFSOPX-UHFFFAOYSA-N -1 0 360.374 -0.172 20 0 FBADRM COc1cc(C=O)ccc1OCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000737879666 600062967 /nfs/dbraw/zinc/06/29/67/600062967.db2.gz SZXGIWHRYBFIPJ-LLVKDONJSA-N -1 0 350.327 -0.312 20 0 FBADRM COc1cc(C=O)ccc1OCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000737879669 600062638 /nfs/dbraw/zinc/06/26/38/600062638.db2.gz SZXGIWHRYBFIPJ-NSHDSACASA-N -1 0 350.327 -0.312 20 0 FBADRM COc1cc(CNC(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])cc(OC)c1OC ZINC000737880422 600141674 /nfs/dbraw/zinc/14/16/74/600141674.db2.gz BVJLPVIAAOKNBO-NEPJUHHUSA-N -1 0 368.386 -0.152 20 0 FBADRM COc1cc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1OCC(N)=O ZINC000737881284 597418537 /nfs/dbraw/zinc/41/85/37/597418537.db2.gz NIQPFDATMRAEMW-CYBMUJFWSA-N -1 0 367.358 -0.446 20 0 FBADRM COc1cc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1OCC(N)=O ZINC000737881285 597418740 /nfs/dbraw/zinc/41/87/40/597418740.db2.gz NIQPFDATMRAEMW-ZDUSSCGKSA-N -1 0 367.358 -0.446 20 0 FBADRM COc1cc(CN(CC(=O)[O-])C(=O)CN2CC(=O)NC2=O)cc(OC)c1 ZINC000737881799 600640138 /nfs/dbraw/zinc/64/01/38/600640138.db2.gz RTCZEFFVYYHJAR-UHFFFAOYSA-N -1 0 365.342 -0.331 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737890055 602118672 /nfs/dbraw/zinc/11/86/72/602118672.db2.gz OTQMQCRRTXQLPS-UHFFFAOYSA-N -1 0 357.388 -0.692 20 0 FBADRM COc1cc(F)c(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c(F)c1 ZINC000737890183 599938716 /nfs/dbraw/zinc/93/87/16/599938716.db2.gz SSXPWGBQECGNIO-JTQLQIEISA-N -1 0 364.326 -0.063 20 0 FBADRM COc1cc(F)c(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c(F)c1 ZINC000737890190 599938589 /nfs/dbraw/zinc/93/85/89/599938589.db2.gz SSXPWGBQECGNIO-SNVBAGLBSA-N -1 0 364.326 -0.063 20 0 FBADRM COc1cc(NC(=O)CN2C(=O)C(=O)N(C)C2=O)c(C(=O)[O-])cc1OC ZINC000737890870 600551305 /nfs/dbraw/zinc/55/13/05/600551305.db2.gz CLXRZJAYQRMRHS-UHFFFAOYSA-N -1 0 365.298 -0.239 20 0 FBADRM COc1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc(OC)c1OC ZINC000737890885 600051631 /nfs/dbraw/zinc/05/16/31/600051631.db2.gz CRUMRIBFZHPULW-GFCCVEGCSA-N -1 0 368.342 -0.037 20 0 FBADRM COc1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc(OC)c1OC ZINC000737890886 600051799 /nfs/dbraw/zinc/05/17/99/600051799.db2.gz CRUMRIBFZHPULW-LBPRGKRZSA-N -1 0 368.342 -0.037 20 0 FBADRM COc1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1NC(C)=O ZINC000737892207 600055639 /nfs/dbraw/zinc/05/56/39/600055639.db2.gz KYQQRLPUAUPSKP-CYBMUJFWSA-N -1 0 365.342 -0.096 20 0 FBADRM COc1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1NC(C)=O ZINC000737892214 600055562 /nfs/dbraw/zinc/05/55/62/600055562.db2.gz KYQQRLPUAUPSKP-ZDUSSCGKSA-N -1 0 365.342 -0.096 20 0 FBADRM O=C(CNc1ccc(-c2nn[nH]n2)cc1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000737895851 598623276 /nfs/dbraw/zinc/62/32/76/598623276.db2.gz RVNCDCQSVBSDLF-LLVKDONJSA-N -1 0 356.350 -0.608 20 0 FBADRM O=C(CNc1ccc(-c2nn[nH]n2)cc1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000737895852 598623327 /nfs/dbraw/zinc/62/33/27/598623327.db2.gz RVNCDCQSVBSDLF-NSHDSACASA-N -1 0 356.350 -0.608 20 0 FBADRM COc1cc(OC)c(CNC(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])c(OC)c1 ZINC000737899397 600310614 /nfs/dbraw/zinc/31/06/14/600310614.db2.gz LFEBZGVVNCCMIP-MFKMUULPSA-N -1 0 368.386 -0.152 20 0 FBADRM COc1cc(OC)c(OC)cc1CNC(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000737900569 600139229 /nfs/dbraw/zinc/13/92/29/600139229.db2.gz XAWSLFPPBVGPPN-NEPJUHHUSA-N -1 0 368.386 -0.152 20 0 FBADRM COc1cc(OC)cc(C(=O)NCC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000737901533 599990816 /nfs/dbraw/zinc/99/08/16/599990816.db2.gz ACCLVGIINSULBS-CYBMUJFWSA-N -1 0 352.343 -0.254 20 0 FBADRM COc1cc(OC)cc(C(=O)NCC(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000737901535 599990906 /nfs/dbraw/zinc/99/09/06/599990906.db2.gz ACCLVGIINSULBS-ZDUSSCGKSA-N -1 0 352.343 -0.254 20 0 FBADRM COc1cc2c(c(OC)c1)C(=O)C(=O)N2CN1CCO[C@@H](C(=O)[O-])C1 ZINC000737902972 599954960 /nfs/dbraw/zinc/95/49/60/599954960.db2.gz SFXXESRUPVDOKM-GFCCVEGCSA-N -1 0 350.327 -0.024 20 0 FBADRM COc1cc2c(c(OC)c1)C(=O)C(=O)N2CN1CCO[C@H](C(=O)[O-])C1 ZINC000737902973 599954847 /nfs/dbraw/zinc/95/48/47/599954847.db2.gz SFXXESRUPVDOKM-LBPRGKRZSA-N -1 0 350.327 -0.024 20 0 FBADRM COc1cc2c(cc1OC)N(CN1CCO[C@@H](C(=O)[O-])C1)C(=O)C2=O ZINC000737908523 599955355 /nfs/dbraw/zinc/95/53/55/599955355.db2.gz WAILKSGEDGSCNV-CYBMUJFWSA-N -1 0 350.327 -0.024 20 0 FBADRM COc1cc2c(cc1OC)N(CN1CCO[C@H](C(=O)[O-])C1)C(=O)C2=O ZINC000737908527 599955420 /nfs/dbraw/zinc/95/54/20/599955420.db2.gz WAILKSGEDGSCNV-ZDUSSCGKSA-N -1 0 350.327 -0.024 20 0 FBADRM CCn1c(N)c(C(=O)CN2CCC(N(C)C(=O)[O-])CC2)c(=O)[nH]c1=O ZINC000737912706 602535027 /nfs/dbraw/zinc/53/50/27/602535027.db2.gz HCICRPCEZBKHQM-UHFFFAOYSA-N -1 0 353.379 -0.192 20 0 FBADRM O=C(COC1CCOCC1)[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737915404 660422666 /nfs/dbraw/zinc/42/26/66/660422666.db2.gz GYWMTTOKXOVGQA-UHFFFAOYSA-N -1 0 367.387 -0.133 20 0 FBADRM O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737916557 598856246 /nfs/dbraw/zinc/85/62/46/598856246.db2.gz OBHYAPZYAPNRNO-LLVKDONJSA-N -1 0 367.387 -0.133 20 0 FBADRM O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737916558 598856429 /nfs/dbraw/zinc/85/64/29/598856429.db2.gz OBHYAPZYAPNRNO-NSHDSACASA-N -1 0 367.387 -0.133 20 0 FBADRM O=C(COC1CCOCC1)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737916781 660538254 /nfs/dbraw/zinc/53/82/54/660538254.db2.gz YIHMYONFQNNNOZ-UHFFFAOYSA-N -1 0 367.387 -0.133 20 0 FBADRM O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737917435 598856152 /nfs/dbraw/zinc/85/61/52/598856152.db2.gz XRGNLUGMQKKAGF-LLVKDONJSA-N -1 0 367.387 -0.133 20 0 FBADRM O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737917439 598856279 /nfs/dbraw/zinc/85/62/79/598856279.db2.gz XRGNLUGMQKKAGF-NSHDSACASA-N -1 0 367.387 -0.133 20 0 FBADRM O=C(COc1ccc(-c2nn[nH]n2)cc1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000737918535 598858654 /nfs/dbraw/zinc/85/86/54/598858654.db2.gz JEQAUCXZEDPKNX-LLVKDONJSA-N -1 0 353.360 -0.520 20 0 FBADRM O=C(COc1ccc(-c2nn[nH]n2)cc1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000737918536 598858508 /nfs/dbraw/zinc/85/85/08/598858508.db2.gz JEQAUCXZEDPKNX-NSHDSACASA-N -1 0 353.360 -0.520 20 0 FBADRM O=C(COc1ccc(-c2nn[nH]n2)cc1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000737921287 598623152 /nfs/dbraw/zinc/62/31/52/598623152.db2.gz VOJBQPFEBMQCIU-LLVKDONJSA-N -1 0 357.334 -0.641 20 0 FBADRM O=C(COc1ccc(-c2nn[nH]n2)cc1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000737921292 598623612 /nfs/dbraw/zinc/62/36/12/598623612.db2.gz VOJBQPFEBMQCIU-NSHDSACASA-N -1 0 357.334 -0.641 20 0 FBADRM COc1ccc(C(=O)N[C@@H](CO)C(=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000737922463 599744603 /nfs/dbraw/zinc/74/46/03/599744603.db2.gz OHOGWLUXEYBXRO-JTQLQIEISA-N -1 0 360.388 -0.443 20 0 FBADRM COc1ccc(C(=O)N[C@H](CO)C(=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000737922466 599744442 /nfs/dbraw/zinc/74/44/42/599744442.db2.gz OHOGWLUXEYBXRO-SNVBAGLBSA-N -1 0 360.388 -0.443 20 0 FBADRM COc1ccc(C(=O)N[C@@H](CO)C(=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000737922504 599743437 /nfs/dbraw/zinc/74/34/37/599743437.db2.gz OXGXTHSPAHWAAQ-JTQLQIEISA-N -1 0 374.415 -0.053 20 0 FBADRM COc1ccc(C(=O)N[C@H](CO)C(=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000737922510 599743470 /nfs/dbraw/zinc/74/34/70/599743470.db2.gz OXGXTHSPAHWAAQ-SNVBAGLBSA-N -1 0 374.415 -0.053 20 0 FBADRM CN(C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000737922546 597244462 /nfs/dbraw/zinc/24/44/62/597244462.db2.gz REBMVDHCSRIJAG-GFCCVEGCSA-N -1 0 354.384 -0.102 20 0 FBADRM CN(C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000737922551 597244067 /nfs/dbraw/zinc/24/40/67/597244067.db2.gz REBMVDHCSRIJAG-LBPRGKRZSA-N -1 0 354.384 -0.102 20 0 FBADRM COc1ccc(C(=O)N[C@@H](CO)C(=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000737923044 599745376 /nfs/dbraw/zinc/74/53/76/599745376.db2.gz QCPLFAULBJODOF-JTQLQIEISA-N -1 0 358.372 -0.689 20 0 FBADRM COc1ccc(C(=O)N[C@H](CO)C(=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000737923046 599745384 /nfs/dbraw/zinc/74/53/84/599745384.db2.gz QCPLFAULBJODOF-SNVBAGLBSA-N -1 0 358.372 -0.689 20 0 FBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000737924419 598858620 /nfs/dbraw/zinc/85/86/20/598858620.db2.gz FCNAUWCMIZXPQN-LLVKDONJSA-N -1 0 353.360 -0.520 20 0 FBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000737924420 598858629 /nfs/dbraw/zinc/85/86/29/598858629.db2.gz FCNAUWCMIZXPQN-NSHDSACASA-N -1 0 353.360 -0.520 20 0 FBADRM O=C(COc1ccccc1-c1nn[nH]n1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000737925392 598623410 /nfs/dbraw/zinc/62/34/10/598623410.db2.gz QQSSAPZKXMIZHG-LLVKDONJSA-N -1 0 357.334 -0.641 20 0 FBADRM O=C(COc1ccccc1-c1nn[nH]n1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000737925393 598623567 /nfs/dbraw/zinc/62/35/67/598623567.db2.gz QQSSAPZKXMIZHG-NSHDSACASA-N -1 0 357.334 -0.641 20 0 FBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000737925715 598691035 /nfs/dbraw/zinc/69/10/35/598691035.db2.gz YFIVXTFHFBUJSS-LLVKDONJSA-N -1 0 357.334 -0.641 20 0 FBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000737925718 598690810 /nfs/dbraw/zinc/69/08/10/598690810.db2.gz YFIVXTFHFBUJSS-NSHDSACASA-N -1 0 357.334 -0.641 20 0 FBADRM COc1ccc(C(=O)NCC(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1OC ZINC000737926019 600578652 /nfs/dbraw/zinc/57/86/52/600578652.db2.gz IURPHRCYFQSVGG-UHFFFAOYSA-N -1 0 363.330 -0.183 20 0 FBADRM CN(C(=O)[O-])C1CCN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000737927063 602524347 /nfs/dbraw/zinc/52/43/47/602524347.db2.gz FPXQIIHLSJXRGX-PLNGDYQASA-N -1 0 350.375 -0.302 20 0 FBADRM CN(C(=O)[O-])C1CCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000737927064 602524477 /nfs/dbraw/zinc/52/44/77/602524477.db2.gz FPXQIIHLSJXRGX-SNAWJCMRSA-N -1 0 350.375 -0.302 20 0 FBADRM CN(C(=O)[O-])C1CCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000737928441 602521281 /nfs/dbraw/zinc/52/12/81/602521281.db2.gz GNYIEYHKSGKWQR-UHFFFAOYSA-N -1 0 359.408 -0.701 20 0 FBADRM CN(C(=O)[O-])C1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 ZINC000737928640 602520082 /nfs/dbraw/zinc/52/00/82/602520082.db2.gz IXTDSCNZRNUQLE-UHFFFAOYSA-N -1 0 359.408 -0.479 20 0 FBADRM O=C(COc1ccccc1-c1nn[nH]n1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000737931272 598858667 /nfs/dbraw/zinc/85/86/67/598858667.db2.gz SGUWYIQCYNVQJP-SECBINFHSA-N -1 0 353.360 -0.520 20 0 FBADRM O=C(COc1ccccc1-c1nn[nH]n1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000737932146 598858514 /nfs/dbraw/zinc/85/85/14/598858514.db2.gz SGUWYIQCYNVQJP-VIFPVBQESA-N -1 0 353.360 -0.520 20 0 FBADRM CN(C(=O)[O-])C1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000737937296 602530423 /nfs/dbraw/zinc/53/04/23/602530423.db2.gz HFAGZFRUNBNGLX-UHFFFAOYSA-N -1 0 350.379 -0.466 20 0 FBADRM CN(CCCNC(=O)CN1CCC(N(C)C(=O)[O-])CC1)S(C)(=O)=O ZINC000737940176 602538609 /nfs/dbraw/zinc/53/86/09/602538609.db2.gz RQFGSZJPOYSQNZ-UHFFFAOYSA-N -1 0 364.468 -0.542 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)N2CCC[C@@H](NC(=O)[O-])C2)CC1 ZINC000737943828 602756884 /nfs/dbraw/zinc/75/68/84/602756884.db2.gz DUYRPWFKSRLQMG-CYBMUJFWSA-N -1 0 355.439 -0.019 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)N2CCC[C@H](NC(=O)[O-])C2)CC1 ZINC000737943829 602756949 /nfs/dbraw/zinc/75/69/49/602756949.db2.gz DUYRPWFKSRLQMG-ZDUSSCGKSA-N -1 0 355.439 -0.019 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)N2CCCN(C(=O)[O-])CC2)CC1 ZINC000737943858 602756957 /nfs/dbraw/zinc/75/69/57/602756957.db2.gz GEAWIOWSSWJRDY-UHFFFAOYSA-N -1 0 355.439 -0.066 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)CN2CCC(N(C)C(=O)[O-])CC2)CC1 ZINC000737944923 602537533 /nfs/dbraw/zinc/53/75/33/602537533.db2.gz QBIWMAMCTWTMGS-UHFFFAOYSA-N -1 0 369.466 -0.707 20 0 FBADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)CN2C(=O)C(=O)N(C)C2=O)cc1 ZINC000737951000 600555395 /nfs/dbraw/zinc/55/53/95/600555395.db2.gz DCYHBUCEPZZJOE-LLVKDONJSA-N -1 0 363.326 -0.252 20 0 FBADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)CN2C(=O)C(=O)N(C)C2=O)cc1 ZINC000737951005 600555454 /nfs/dbraw/zinc/55/54/54/600555454.db2.gz DCYHBUCEPZZJOE-NSHDSACASA-N -1 0 363.326 -0.252 20 0 FBADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)CN2CC(=O)NC2=O)cc1OC ZINC000737952761 600165921 /nfs/dbraw/zinc/16/59/21/600165921.db2.gz PHPFGJIOVKYSAI-JTQLQIEISA-N -1 0 365.342 -0.112 20 0 FBADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)CN2CC(=O)NC2=O)cc1OC ZINC000737952765 600166191 /nfs/dbraw/zinc/16/61/91/600166191.db2.gz PHPFGJIOVKYSAI-SNVBAGLBSA-N -1 0 365.342 -0.112 20 0 FBADRM COc1ccc([C@@H](NC(=O)C2CCN(S(N)(=O)=O)CC2)C(=O)[O-])cc1 ZINC000737960565 599760635 /nfs/dbraw/zinc/76/06/35/599760635.db2.gz ZXXHRENVBWYSHD-CYBMUJFWSA-N -1 0 371.415 -0.147 20 0 FBADRM COc1ccc([C@H](NC(=O)C2CCN(S(N)(=O)=O)CC2)C(=O)[O-])cc1 ZINC000737960568 599760591 /nfs/dbraw/zinc/76/05/91/599760591.db2.gz ZXXHRENVBWYSHD-ZDUSSCGKSA-N -1 0 371.415 -0.147 20 0 FBADRM COc1ccc([C@H](NC(=O)CN2CCS(=O)(=O)CC2)C(=O)[O-])cc1 ZINC000737961653 599761646 /nfs/dbraw/zinc/76/16/46/599761646.db2.gz WAWKHZWCTBCLLJ-AWEZNQCLSA-N -1 0 356.400 -0.333 20 0 FBADRM COc1ccc([C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C(=O)[O-])cc1 ZINC000737961655 599761822 /nfs/dbraw/zinc/76/18/22/599761822.db2.gz WAWKHZWCTBCLLJ-CQSZACIVSA-N -1 0 356.400 -0.333 20 0 FBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C(C)(C)NS(C)(=O)=O ZINC000737963573 657243322 /nfs/dbraw/zinc/24/33/22/657243322.db2.gz VZACQDHDDFGKFA-UHFFFAOYSA-N -1 0 363.436 -0.904 20 0 FBADRM COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCO[C@H](C(=O)[O-])C1 ZINC000737971175 599975702 /nfs/dbraw/zinc/97/57/02/599975702.db2.gz ASOHMBLDALFHBE-AWEZNQCLSA-N -1 0 365.386 -0.156 20 0 FBADRM COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCO[C@@H](C(=O)[O-])C1 ZINC000737971178 599975774 /nfs/dbraw/zinc/97/57/74/599975774.db2.gz ASOHMBLDALFHBE-CQSZACIVSA-N -1 0 365.386 -0.156 20 0 FBADRM COc1ccc(C)cc1NC(=O)CNC(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000737974262 600140608 /nfs/dbraw/zinc/14/06/08/600140608.db2.gz ZUJVYZYHMOLAJQ-YPMHNXCESA-N -1 0 365.386 -0.422 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000737975684 602549661 /nfs/dbraw/zinc/54/96/61/602549661.db2.gz PWPFPQVGCSZMBT-JTQLQIEISA-N -1 0 366.340 -0.096 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000737975685 602549714 /nfs/dbraw/zinc/54/97/14/602549714.db2.gz PWPFPQVGCSZMBT-SNVBAGLBSA-N -1 0 366.340 -0.096 20 0 FBADRM COc1ccc([C@@H]2[C@@H](C(=O)OCC(=O)NCC(=O)[O-])CC(=O)N2C)cc1 ZINC000737979059 600238754 /nfs/dbraw/zinc/23/87/54/600238754.db2.gz BUVOKFFEZZFSPP-BLLLJJGKSA-N -1 0 364.354 -0.041 20 0 FBADRM COc1ccc([C@H]2[C@@H](C(=O)OCC(=O)NCC(=O)[O-])CC(=O)N2C)cc1 ZINC000737979062 600238874 /nfs/dbraw/zinc/23/88/74/600238874.db2.gz BUVOKFFEZZFSPP-LRDDRELGSA-N -1 0 364.354 -0.041 20 0 FBADRM COc1ccc([C@@H]2[C@H](C(=O)OCC(=O)NCC(=O)[O-])CC(=O)N2C)cc1 ZINC000737979069 600238929 /nfs/dbraw/zinc/23/89/29/600238929.db2.gz BUVOKFFEZZFSPP-MLGOLLRUSA-N -1 0 364.354 -0.041 20 0 FBADRM COc1ccc([C@H]2[C@H](C(=O)OCC(=O)NCC(=O)[O-])CC(=O)N2C)cc1 ZINC000737979075 600238717 /nfs/dbraw/zinc/23/87/17/600238717.db2.gz BUVOKFFEZZFSPP-WBMJQRKESA-N -1 0 364.354 -0.041 20 0 FBADRM COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](CO)C(=O)[O-])C2=O)cc1 ZINC000737979556 599744634 /nfs/dbraw/zinc/74/46/34/599744634.db2.gz DWBCPFGATWTGTL-BDJLRTHQSA-N -1 0 365.342 -0.976 20 0 FBADRM COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](CO)C(=O)[O-])C2=O)cc1 ZINC000737979558 599744433 /nfs/dbraw/zinc/74/44/33/599744433.db2.gz DWBCPFGATWTGTL-BZNIZROVSA-N -1 0 365.342 -0.976 20 0 FBADRM COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](CO)C(=O)[O-])C2=O)cc1 ZINC000737979560 605279778 /nfs/dbraw/zinc/27/97/78/605279778.db2.gz DWBCPFGATWTGTL-MEDUHNTESA-N -1 0 365.342 -0.976 20 0 FBADRM COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](CO)C(=O)[O-])C2=O)cc1 ZINC000737979562 605279951 /nfs/dbraw/zinc/27/99/51/605279951.db2.gz DWBCPFGATWTGTL-ZBEGNZNMSA-N -1 0 365.342 -0.976 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737980274 598424885 /nfs/dbraw/zinc/42/48/85/598424885.db2.gz BIHYWSAECGCGFG-UHFFFAOYSA-N -1 0 351.330 -0.432 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1ccccc1-c1nn[nH]n1 ZINC000737980321 598432457 /nfs/dbraw/zinc/43/24/57/598432457.db2.gz CFHAVDGZBGCRBT-UHFFFAOYSA-N -1 0 352.314 -0.005 20 0 FBADRM COc1ccc(C=O)c(OCC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC000737981109 600614957 /nfs/dbraw/zinc/61/49/57/600614957.db2.gz AVQQBJWAGSVORU-GFCCVEGCSA-N -1 0 350.327 -0.312 20 0 FBADRM COc1ccc(C=O)c(OCC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC000737981111 600614807 /nfs/dbraw/zinc/61/48/07/600614807.db2.gz AVQQBJWAGSVORU-LBPRGKRZSA-N -1 0 350.327 -0.312 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1ccc(-c2nn[nH]n2)cc1 ZINC000737982071 598432359 /nfs/dbraw/zinc/43/23/59/598432359.db2.gz MZTBDVVCPDDJSY-UHFFFAOYSA-N -1 0 352.314 -0.005 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000737983470 598424786 /nfs/dbraw/zinc/42/47/86/598424786.db2.gz WIIJORHOTIKIJD-UHFFFAOYSA-N -1 0 369.320 -0.293 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1cccc(-c2nn[nH]n2)c1 ZINC000737983535 598432132 /nfs/dbraw/zinc/43/21/32/598432132.db2.gz XGCAXBPYVMTUJH-UHFFFAOYSA-N -1 0 352.314 -0.005 20 0 FBADRM O=C(Cn1cccc(-c2nnn[n-]2)c1=O)N1CCN(C(=O)C2CC2)CC1 ZINC000737986697 598283675 /nfs/dbraw/zinc/28/36/75/598283675.db2.gz LUEKHSOHDPRLLH-UHFFFAOYSA-N -1 0 357.374 -0.891 20 0 FBADRM O=C(Cn1cccc(-c2nnn[n-]2)c1=O)NC[C@@H]1COc2ccccc2O1 ZINC000737987043 598676768 /nfs/dbraw/zinc/67/67/68/598676768.db2.gz PPUXERZELMDGNB-LLVKDONJSA-N -1 0 368.353 -0.015 20 0 FBADRM O=C(Cn1cccc(-c2nnn[n-]2)c1=O)NC[C@H]1COc2ccccc2O1 ZINC000737987044 598676448 /nfs/dbraw/zinc/67/64/48/598676448.db2.gz PPUXERZELMDGNB-NSHDSACASA-N -1 0 368.353 -0.015 20 0 FBADRM CN(CCC(=O)[O-])C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000737988793 657622266 /nfs/dbraw/zinc/62/22/66/657622266.db2.gz AOBSHZNHMBALQZ-UHFFFAOYSA-N -1 0 357.344 -0.825 20 0 FBADRM CN(CCC(=O)[O-])C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000737991440 597008422 /nfs/dbraw/zinc/00/84/22/597008422.db2.gz HOHHQUJYJQXKBM-UHFFFAOYSA-N -1 0 371.415 -0.283 20 0 FBADRM CN(CCC(=O)[O-])CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000737991950 597001830 /nfs/dbraw/zinc/00/18/30/597001830.db2.gz VGQLHEXXVWLBJS-CHWSQXEVSA-N -1 0 362.448 -0.412 20 0 FBADRM CN(CCC(=O)[O-])CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000737991951 597001801 /nfs/dbraw/zinc/00/18/01/597001801.db2.gz VGQLHEXXVWLBJS-OLZOCXBDSA-N -1 0 362.448 -0.412 20 0 FBADRM CN(CCC(=O)[O-])CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000737991952 597001928 /nfs/dbraw/zinc/00/19/28/597001928.db2.gz VGQLHEXXVWLBJS-QWHCGFSZSA-N -1 0 362.448 -0.412 20 0 FBADRM CN(CCC(=O)[O-])CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000737991953 597001388 /nfs/dbraw/zinc/00/13/88/597001388.db2.gz VGQLHEXXVWLBJS-STQMWFEESA-N -1 0 362.448 -0.412 20 0 FBADRM COc1ccc(CCNC(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])cc1OC ZINC000737992898 600141752 /nfs/dbraw/zinc/14/17/52/600141752.db2.gz NXDAXQFDLKVHSN-OLZOCXBDSA-N -1 0 352.387 -0.118 20 0 FBADRM CN(CCOC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000737996984 602661011 /nfs/dbraw/zinc/66/10/11/602661011.db2.gz IMRDACUDZWWUJF-SECBINFHSA-N -1 0 361.376 -0.695 20 0 FBADRM CN(CCOC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000737996987 602661034 /nfs/dbraw/zinc/66/10/34/602661034.db2.gz IMRDACUDZWWUJF-VIFPVBQESA-N -1 0 361.376 -0.695 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[O-])CC2)cc1 ZINC000737997004 602284120 /nfs/dbraw/zinc/28/41/20/602284120.db2.gz IYIBRJYVMOLLDG-UHFFFAOYSA-N -1 0 371.415 -0.265 20 0 FBADRM COc1ccc(CN2C[C@H](C(=O)OCC(=O)NCC(=O)[O-])CC2=O)cc1 ZINC000738002434 599886774 /nfs/dbraw/zinc/88/67/74/599886774.db2.gz AKMYOYVZQZEJNU-GFCCVEGCSA-N -1 0 364.354 -0.212 20 0 FBADRM COc1ccc(CN2C[C@@H](C(=O)OCC(=O)NCC(=O)[O-])CC2=O)cc1 ZINC000738002437 599887208 /nfs/dbraw/zinc/88/72/08/599887208.db2.gz AKMYOYVZQZEJNU-LBPRGKRZSA-N -1 0 364.354 -0.212 20 0 FBADRM COc1ccc(CNC(=O)NCCN2C(=O)CNC2=O)cc1C(=O)[O-] ZINC000738007488 600178595 /nfs/dbraw/zinc/17/85/95/600178595.db2.gz XHMHFYUNXCNQEQ-UHFFFAOYSA-N -1 0 350.331 -0.256 20 0 FBADRM CN1C(=O)N[C@]2(CCN(S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)C2)C1=O ZINC000738007573 601231932 /nfs/dbraw/zinc/23/19/32/601231932.db2.gz CHOZIWLDIUEQQM-AWEZNQCLSA-N -1 0 371.346 -0.161 20 0 FBADRM CN1C(=O)N[C@@]2(CCN(S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)C2)C1=O ZINC000738007579 601231907 /nfs/dbraw/zinc/23/19/07/601231907.db2.gz CHOZIWLDIUEQQM-CQSZACIVSA-N -1 0 371.346 -0.161 20 0 FBADRM COc1ccc(CNS(=O)(=O)CCS(C)(=O)=O)cc1C(=O)[O-] ZINC000738008155 600946524 /nfs/dbraw/zinc/94/65/24/600946524.db2.gz GYTBRGNXWAHNLS-UHFFFAOYSA-N -1 0 351.402 -0.143 20 0 FBADRM COc1ccc(CNC(=S)NCCNS(C)(=O)=O)cc1C(=O)[O-] ZINC000738008918 600008200 /nfs/dbraw/zinc/00/82/00/600008200.db2.gz UHZUFHMTNYUYKE-UHFFFAOYSA-N -1 0 361.445 -0.093 20 0 FBADRM CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000738012458 601220655 /nfs/dbraw/zinc/22/06/55/601220655.db2.gz ACRYTGUKDJOSFX-UHFFFAOYSA-N -1 0 373.406 -0.034 20 0 FBADRM CN(C(=O)[O-])C1CCN(C(=O)NCCC(=O)N2CCN(C)CC2)CC1 ZINC000738013509 602561819 /nfs/dbraw/zinc/56/18/19/602561819.db2.gz RTOKSANWOGJYRI-UHFFFAOYSA-N -1 0 355.439 -0.066 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N2CCC(N(C)C(=O)[O-])CC2)CC1 ZINC000738013917 602541883 /nfs/dbraw/zinc/54/18/83/602541883.db2.gz GUZOQHDRXOIYLP-UHFFFAOYSA-N -1 0 355.439 -0.019 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000738014152 604306151 /nfs/dbraw/zinc/30/61/51/604306151.db2.gz JDHVJOWIZGGUGO-JTQLQIEISA-N -1 0 350.375 -0.203 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000738014153 604306193 /nfs/dbraw/zinc/30/61/93/604306193.db2.gz JDHVJOWIZGGUGO-SNVBAGLBSA-N -1 0 350.375 -0.203 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1NC(C)=O ZINC000738020366 600051856 /nfs/dbraw/zinc/05/18/56/600051856.db2.gz AVFOZAUTQXMZIK-CYBMUJFWSA-N -1 0 365.342 -0.096 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1NC(C)=O ZINC000738020367 600051687 /nfs/dbraw/zinc/05/16/87/600051687.db2.gz AVFOZAUTQXMZIK-ZDUSSCGKSA-N -1 0 365.342 -0.096 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1-n1nnnc1C ZINC000738020448 599900326 /nfs/dbraw/zinc/90/03/26/599900326.db2.gz DYBRODFGJIXMTF-JTQLQIEISA-N -1 0 374.357 -0.149 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1-n1nnnc1C ZINC000738020450 599900453 /nfs/dbraw/zinc/90/04/53/599900453.db2.gz DYBRODFGJIXMTF-SNVBAGLBSA-N -1 0 374.357 -0.149 20 0 FBADRM COc1ccc(NC(=O)C(=O)N(CCN2CCOCC2)CC(=O)[O-])cc1 ZINC000738020480 600257092 /nfs/dbraw/zinc/25/70/92/600257092.db2.gz FQXDZIHEHBGBHI-UHFFFAOYSA-N -1 0 365.386 -0.121 20 0 FBADRM O=C(NC1CC1)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000738021792 599022975 /nfs/dbraw/zinc/02/29/75/599022975.db2.gz QDTPJAKOBVVHTC-UHFFFAOYSA-N -1 0 372.389 -0.341 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(OC)c1OC ZINC000738024034 600052719 /nfs/dbraw/zinc/05/27/19/600052719.db2.gz XMVDKKOJXULUQX-LLVKDONJSA-N -1 0 368.342 -0.037 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c(OC)c1OC ZINC000738024037 600052619 /nfs/dbraw/zinc/05/26/19/600052619.db2.gz XMVDKKOJXULUQX-NSHDSACASA-N -1 0 368.342 -0.037 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCC(O)(C(=O)[O-])CC2)ccc1OC ZINC000738025664 659986908 /nfs/dbraw/zinc/98/69/08/659986908.db2.gz LWHMVQAOWDUEIH-UHFFFAOYSA-N -1 0 372.399 -0.345 20 0 FBADRM COc1ccc(NC(=O)CN(C)CC(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000738027714 600069223 /nfs/dbraw/zinc/06/92/23/600069223.db2.gz DRQADSXDYNMDRI-UHFFFAOYSA-N -1 0 359.404 -0.100 20 0 FBADRM COc1ccc(NC(=O)CNC(=O)[O-])c(N2CCN(C(C)=O)CC2)n1 ZINC000738027922 602325070 /nfs/dbraw/zinc/32/50/70/602325070.db2.gz JISXJOOHMRMDOJ-UHFFFAOYSA-N -1 0 351.363 -0.035 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCCCC(=O)[O-])c1 ZINC000738029838 597319625 /nfs/dbraw/zinc/31/96/25/597319625.db2.gz QYKQHVWMMCUQEM-UHFFFAOYSA-N -1 0 372.403 -0.303 20 0 FBADRM COC(=O)CN(CCN1CCOCC1)C(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738035344 602439042 /nfs/dbraw/zinc/43/90/42/602439042.db2.gz LPKFAGMEGUYLFN-CYBMUJFWSA-N -1 0 357.407 -0.290 20 0 FBADRM COC(=O)CN(CCN1CCOCC1)C(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738035346 602438938 /nfs/dbraw/zinc/43/89/38/602438938.db2.gz LPKFAGMEGUYLFN-ZDUSSCGKSA-N -1 0 357.407 -0.290 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CCO1 ZINC000738035420 602125813 /nfs/dbraw/zinc/12/58/13/602125813.db2.gz CTUGERCAEZOSCC-GFCCVEGCSA-N -1 0 350.327 -0.347 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CCO1 ZINC000738035421 602125964 /nfs/dbraw/zinc/12/59/64/602125964.db2.gz CTUGERCAEZOSCC-LBPRGKRZSA-N -1 0 350.327 -0.347 20 0 FBADRM COC(=O)CN(CCN1CCOCC1)C(=O)C1CCN(C(=O)[O-])CC1 ZINC000738035713 602439067 /nfs/dbraw/zinc/43/90/67/602439067.db2.gz QAISSCZMLYAQIT-UHFFFAOYSA-N -1 0 357.407 -0.290 20 0 FBADRM O=C(CNC(=O)c1ccc(F)cc1F)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000738036993 660540097 /nfs/dbraw/zinc/54/00/97/660540097.db2.gz BSSVSRMSFGSJMX-LLVKDONJSA-N -1 0 352.301 -0.192 20 0 FBADRM O=C(CNC(=O)c1ccc(F)cc1F)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000738036995 660540018 /nfs/dbraw/zinc/54/00/18/660540018.db2.gz BSSVSRMSFGSJMX-NSHDSACASA-N -1 0 352.301 -0.192 20 0 FBADRM COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000738039053 600055712 /nfs/dbraw/zinc/05/57/12/600055712.db2.gz KXFXFSQIRDQUNB-CYBMUJFWSA-N -1 0 365.342 -0.096 20 0 FBADRM COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000738039076 600055702 /nfs/dbraw/zinc/05/57/02/600055702.db2.gz KXFXFSQIRDQUNB-ZDUSSCGKSA-N -1 0 365.342 -0.096 20 0 FBADRM COc1ccc(OC)c(-n2nnnc2SCC(=O)NCC(=O)[O-])c1 ZINC000738044026 599805754 /nfs/dbraw/zinc/80/57/54/599805754.db2.gz JGFHORTYOJHJGT-UHFFFAOYSA-N -1 0 353.360 -0.028 20 0 FBADRM COCC(=O)N1CCN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000738052762 602121070 /nfs/dbraw/zinc/12/10/70/602121070.db2.gz JRBIBWRLDCHOEA-UHFFFAOYSA-N -1 0 363.370 -0.431 20 0 FBADRM COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCCC(=O)[O-] ZINC000738058890 600332516 /nfs/dbraw/zinc/33/25/16/600332516.db2.gz ZTTWSHHUZRLQNJ-UHFFFAOYSA-N -1 0 373.387 -0.525 20 0 FBADRM COc1ccc(S(=O)(=O)NCCCN2C(=O)CNC2=O)cc1C(=O)[O-] ZINC000738059607 600584091 /nfs/dbraw/zinc/58/40/91/600584091.db2.gz DORFHSYVIAYYCT-UHFFFAOYSA-N -1 0 371.371 -0.386 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000738060610 599946793 /nfs/dbraw/zinc/94/67/93/599946793.db2.gz FSEXSIWBFJECRX-GWCFXTLKSA-N -1 0 372.399 -0.326 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000738060612 599946648 /nfs/dbraw/zinc/94/66/48/599946648.db2.gz FSEXSIWBFJECRX-GXFFZTMASA-N -1 0 372.399 -0.326 20 0 FBADRM COc1ccc(S(=O)(=O)NCCN2C(=O)CNC2=O)cc1C(=O)[O-] ZINC000738061562 837784441 /nfs/dbraw/zinc/78/44/41/837784441.db2.gz XNIAFXXWFFQLPR-UHFFFAOYSA-N -1 0 357.344 -0.777 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCN(C[C@](C)(O)C(=O)[O-])CC2)cc1 ZINC000738061714 600760823 /nfs/dbraw/zinc/76/08/23/600760823.db2.gz HGXNFEVYKZHUSV-HNNXBMFYSA-N -1 0 358.416 -0.163 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCN(C[C@@](C)(O)C(=O)[O-])CC2)cc1 ZINC000738061715 600760781 /nfs/dbraw/zinc/76/07/81/600760781.db2.gz HGXNFEVYKZHUSV-OAHLLOKOSA-N -1 0 358.416 -0.163 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000738065681 602538458 /nfs/dbraw/zinc/53/84/58/602538458.db2.gz RXLXKSFIRYULKJ-UHFFFAOYSA-N -1 0 353.441 -0.100 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(C(=O)[O-])CC2)c1 ZINC000738068202 602973722 /nfs/dbraw/zinc/97/37/22/602973722.db2.gz DPCBYVFWUCMKFW-UHFFFAOYSA-N -1 0 360.392 -0.625 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)c2c(C)[nH]c(C(=O)[O-])c2C)CC1 ZINC000738068218 604268340 /nfs/dbraw/zinc/26/83/40/604268340.db2.gz FPOOJBVRXSAORI-UHFFFAOYSA-N -1 0 366.418 -0.150 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)C2CCN(C(=O)[O-])CC2)cn1 ZINC000738068526 603290841 /nfs/dbraw/zinc/29/08/41/603290841.db2.gz MKKKHEBTZJQCHH-UHFFFAOYSA-N -1 0 353.379 -0.026 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCC[C@H](NC(=O)[O-])C2)c1 ZINC000738068540 603685391 /nfs/dbraw/zinc/68/53/91/603685391.db2.gz NEUBLPQMPSGBGJ-JTQLQIEISA-N -1 0 374.419 -0.188 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCC[C@@H](NC(=O)[O-])C2)c1 ZINC000738068541 603685855 /nfs/dbraw/zinc/68/58/55/603685855.db2.gz NEUBLPQMPSGBGJ-SNVBAGLBSA-N -1 0 374.419 -0.188 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)[C@@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000738068758 603225337 /nfs/dbraw/zinc/22/53/37/603225337.db2.gz OUTZOKQARXIJBM-LLVKDONJSA-N -1 0 353.379 -0.026 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)[C@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000738068759 603225369 /nfs/dbraw/zinc/22/53/69/603225369.db2.gz OUTZOKQARXIJBM-NSHDSACASA-N -1 0 353.379 -0.026 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)NC2CCN(C(=O)[O-])CC2)c1 ZINC000738069228 602973667 /nfs/dbraw/zinc/97/36/67/602973667.db2.gz XKJPEULOKFXAIX-UHFFFAOYSA-N -1 0 374.419 -0.188 20 0 FBADRM COCCOCC(=O)NC1CCC(C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000738069439 597370166 /nfs/dbraw/zinc/37/01/66/597370166.db2.gz ZGPKJGAXLMFVBA-JXQTWKCFSA-N -1 0 372.418 -0.364 20 0 FBADRM COCCOCC(=O)NC1CCC(C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000738069440 597370640 /nfs/dbraw/zinc/37/06/40/597370640.db2.gz ZGPKJGAXLMFVBA-RUXDESIVSA-N -1 0 372.418 -0.364 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000738069618 600530880 /nfs/dbraw/zinc/53/08/80/600530880.db2.gz NGYQOOBXVHCCNC-UHFFFAOYSA-N -1 0 354.344 -0.124 20 0 FBADRM CON(C)S(=O)(=O)c1ccc(C(=O)N2CCC(O)(C(=O)[O-])CC2)cc1 ZINC000738072518 659010298 /nfs/dbraw/zinc/01/02/98/659010298.db2.gz BNKCDIRADNFNBE-UHFFFAOYSA-N -1 0 372.399 -0.080 20 0 FBADRM CON(C)S(=O)(=O)c1cccc(C(=O)N2CCC(O)(C(=O)[O-])CC2)c1 ZINC000738072616 659010329 /nfs/dbraw/zinc/01/03/29/659010329.db2.gz GJMMRMZHMPAGEN-UHFFFAOYSA-N -1 0 372.399 -0.080 20 0 FBADRM COc1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc(OC)c1OCC(N)=O ZINC000738073378 597377814 /nfs/dbraw/zinc/37/78/14/597377814.db2.gz AZDHGVZPNWFAET-GFCCVEGCSA-N -1 0 368.342 -0.507 20 0 FBADRM COc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc(OC)c1OCC(N)=O ZINC000738073379 597377744 /nfs/dbraw/zinc/37/77/44/597377744.db2.gz AZDHGVZPNWFAET-LBPRGKRZSA-N -1 0 368.342 -0.507 20 0 FBADRM COc1cc(NC(=O)C(=O)NCCC(=O)[O-])c(C(=O)N(C)C)cc1OC ZINC000738080497 597255193 /nfs/dbraw/zinc/25/51/93/597255193.db2.gz UUPZUZTVYVPFFN-UHFFFAOYSA-N -1 0 367.358 -0.065 20 0 FBADRM COc1cccc(CC(=O)N2CCN(CCC(=O)NCC(=O)[O-])CC2)c1 ZINC000738094685 600293494 /nfs/dbraw/zinc/29/34/94/600293494.db2.gz BCGGCZWPSRVNKB-UHFFFAOYSA-N -1 0 363.414 -0.027 20 0 FBADRM COc1cccc(NC(=O)CN(C)C(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000738105904 600140547 /nfs/dbraw/zinc/14/05/47/600140547.db2.gz GBBFPJHMWDCYAD-OCCSQVGLSA-N -1 0 365.386 -0.388 20 0 FBADRM COc1cccc(NC(=O)CN(C)C(=O)CN2CCO[C@H](C(=O)[O-])C2)c1 ZINC000738106636 599975286 /nfs/dbraw/zinc/97/52/86/599975286.db2.gz PFYIDAFQZUPAKP-AWEZNQCLSA-N -1 0 365.386 -0.123 20 0 FBADRM COc1cccc(NC(=O)CN(C)C(=O)CN2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000738106667 599975240 /nfs/dbraw/zinc/97/52/40/599975240.db2.gz PFYIDAFQZUPAKP-CQSZACIVSA-N -1 0 365.386 -0.123 20 0 FBADRM COc1cccc(S(=O)(=O)CCN2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC000738108260 599888301 /nfs/dbraw/zinc/88/83/01/599888301.db2.gz BFKDOBFPENLHIV-CYBMUJFWSA-N -1 0 356.400 -0.256 20 0 FBADRM COc1cccc(S(=O)(=O)CCN2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC000738108267 599888589 /nfs/dbraw/zinc/88/85/89/599888589.db2.gz BFKDOBFPENLHIV-ZDUSSCGKSA-N -1 0 356.400 -0.256 20 0 FBADRM COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN(C)CC(=O)[O-])C2=O)c1 ZINC000738118219 597016720 /nfs/dbraw/zinc/01/67/20/597016720.db2.gz SFGOGRQQBKIEMJ-INIZCTEOSA-N -1 0 364.358 -0.490 20 0 FBADRM COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN(C)CC(=O)[O-])C2=O)c1 ZINC000738118220 597016262 /nfs/dbraw/zinc/01/62/62/597016262.db2.gz SFGOGRQQBKIEMJ-MRXNPFEDSA-N -1 0 364.358 -0.490 20 0 FBADRM CS(=O)(=O)CCN1CCC(NC(=O)N2CCN(C(=O)[O-])CC2)CC1 ZINC000738127148 602750142 /nfs/dbraw/zinc/75/01/42/602750142.db2.gz OJOACJLDTKSJCT-UHFFFAOYSA-N -1 0 362.452 -0.499 20 0 FBADRM COc1ccccc1N(CCC(N)=O)C(=O)CN1CCO[C@H](C(=O)[O-])C1 ZINC000738127976 599973214 /nfs/dbraw/zinc/97/32/14/599973214.db2.gz GZMDYOKAJRMERE-AWEZNQCLSA-N -1 0 365.386 -0.311 20 0 FBADRM COc1ccccc1N(CCC(N)=O)C(=O)CN1CCO[C@@H](C(=O)[O-])C1 ZINC000738127983 599973154 /nfs/dbraw/zinc/97/31/54/599973154.db2.gz GZMDYOKAJRMERE-CQSZACIVSA-N -1 0 365.386 -0.311 20 0 FBADRM COc1ncnc(OC)c1C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000738131570 599903835 /nfs/dbraw/zinc/90/38/35/599903835.db2.gz CQLYXJAYXSCZNU-UHFFFAOYSA-N -1 0 353.331 -0.026 20 0 FBADRM COc1ccccc1N(CCC(N)=O)C(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000738133596 600178115 /nfs/dbraw/zinc/17/81/15/600178115.db2.gz LWCDVGWQTJEUQQ-YPMHNXCESA-N -1 0 365.386 -0.577 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000738135523 603422728 /nfs/dbraw/zinc/42/27/28/603422728.db2.gz NLDXDSRNYQOCBW-LLVKDONJSA-N -1 0 370.387 -0.135 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000738135524 603422580 /nfs/dbraw/zinc/42/25/80/603422580.db2.gz NLDXDSRNYQOCBW-NSHDSACASA-N -1 0 370.387 -0.135 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000738135532 602119970 /nfs/dbraw/zinc/11/99/70/602119970.db2.gz OBJAROBKXJRTEV-UHFFFAOYSA-N -1 0 369.399 -0.644 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000738135549 600563337 /nfs/dbraw/zinc/56/33/37/600563337.db2.gz POIALMQMPNCDPS-UHFFFAOYSA-N -1 0 362.452 -0.930 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000738135580 602128582 /nfs/dbraw/zinc/12/85/82/602128582.db2.gz QYKKMKJDUAHGJR-GFCCVEGCSA-N -1 0 369.399 -0.598 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000738135581 602128377 /nfs/dbraw/zinc/12/83/77/602128377.db2.gz QYKKMKJDUAHGJR-LBPRGKRZSA-N -1 0 369.399 -0.598 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(CC(=O)Nc2nc(CC(=O)[O-])cs2)C1 ZINC000738135946 600262023 /nfs/dbraw/zinc/26/20/23/600262023.db2.gz SHMHVBNBKKILQB-MRVPVSSYSA-N -1 0 362.433 -0.668 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(CC(=O)Nc2nc(CC(=O)[O-])cs2)C1 ZINC000738135948 600261914 /nfs/dbraw/zinc/26/19/14/600261914.db2.gz SHMHVBNBKKILQB-QMMMGPOBSA-N -1 0 362.433 -0.668 20 0 FBADRM CS(=O)(=O)N1CCN(c2ccc(NC(=O)CCNC(=O)[O-])cn2)CC1 ZINC000738136094 602687899 /nfs/dbraw/zinc/68/78/99/602687899.db2.gz VETISRVWZLQZTN-UHFFFAOYSA-N -1 0 371.419 -0.241 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000738136137 600271998 /nfs/dbraw/zinc/27/19/98/600271998.db2.gz WAOZVZVSIKOJHE-LLVKDONJSA-N -1 0 355.372 -0.527 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000738136139 600272235 /nfs/dbraw/zinc/27/22/35/600272235.db2.gz WAOZVZVSIKOJHE-NSHDSACASA-N -1 0 355.372 -0.527 20 0 FBADRM CS(=O)(=O)N1CCN(c2ccc(NC(=O)CNC(=O)[O-])cn2)CC1 ZINC000738136195 602689693 /nfs/dbraw/zinc/68/96/93/602689693.db2.gz WPPMAYNKQFSFHK-UHFFFAOYSA-N -1 0 357.392 -0.631 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C1 ZINC000738138005 601246115 /nfs/dbraw/zinc/24/61/15/601246115.db2.gz AQKVXYWVLGPFBB-MRVPVSSYSA-N -1 0 366.392 -0.164 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C1 ZINC000738138016 601246104 /nfs/dbraw/zinc/24/61/04/601246104.db2.gz AQKVXYWVLGPFBB-QMMMGPOBSA-N -1 0 366.392 -0.164 20 0 FBADRM CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NCCCC(=O)[O-])cc1 ZINC000738138240 600337456 /nfs/dbraw/zinc/33/74/56/600337456.db2.gz CKQFWGOKBQVGOT-UHFFFAOYSA-N -1 0 357.388 -0.345 20 0 FBADRM CS(=O)(=O)NCCCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738138722 602118577 /nfs/dbraw/zinc/11/85/77/602118577.db2.gz GPNJXPUKPLHYPH-UHFFFAOYSA-N -1 0 357.388 -0.692 20 0 FBADRM CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)NCCC(=O)[O-])cc1F ZINC000738139189 600335932 /nfs/dbraw/zinc/33/59/32/600335932.db2.gz NUYCZVFIUJWATF-UHFFFAOYSA-N -1 0 350.299 -0.102 20 0 FBADRM CS(=O)(=O)c1ccc(CNC(=O)CN2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000738139502 599968257 /nfs/dbraw/zinc/96/82/57/599968257.db2.gz FKZGMBAYLFBCOJ-CYBMUJFWSA-N -1 0 356.400 -0.508 20 0 FBADRM CS(=O)(=O)c1ccc(CNC(=O)CN2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000738139505 599968352 /nfs/dbraw/zinc/96/83/52/599968352.db2.gz FKZGMBAYLFBCOJ-ZDUSSCGKSA-N -1 0 356.400 -0.508 20 0 FBADRM CS(=O)(=O)c1ccc(OCCNC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000738139594 599997425 /nfs/dbraw/zinc/99/74/25/599997425.db2.gz GYTKTZCHOCGGSC-CYBMUJFWSA-N -1 0 372.399 -0.036 20 0 FBADRM CS(=O)(=O)c1ccc(OCCNC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000738139597 599997360 /nfs/dbraw/zinc/99/73/60/599997360.db2.gz GYTKTZCHOCGGSC-ZDUSSCGKSA-N -1 0 372.399 -0.036 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738139828 599154769 /nfs/dbraw/zinc/15/47/69/599154769.db2.gz QOWFLBXNPRNBCM-JTQLQIEISA-N -1 0 352.376 -0.110 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738139830 599155217 /nfs/dbraw/zinc/15/52/17/599155217.db2.gz QOWFLBXNPRNBCM-SNVBAGLBSA-N -1 0 352.376 -0.110 20 0 FBADRM CS(=O)(=O)c1ccc(-n2nnnc2CN2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000738140055 599966085 /nfs/dbraw/zinc/96/60/85/599966085.db2.gz ICDZGVHJCPCYMU-GFCCVEGCSA-N -1 0 367.387 -0.649 20 0 FBADRM CS(=O)(=O)c1ccc(-n2nnnc2CN2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000738140057 599965992 /nfs/dbraw/zinc/96/59/92/599965992.db2.gz ICDZGVHJCPCYMU-LBPRGKRZSA-N -1 0 367.387 -0.649 20 0 FBADRM CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)[O-])CC1 ZINC000738140246 602684532 /nfs/dbraw/zinc/68/45/32/602684532.db2.gz LTDUEFKVEPROSP-UHFFFAOYSA-N -1 0 363.417 -0.463 20 0 FBADRM CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CNC(=O)[O-])CC2)c1 ZINC000738140298 602761659 /nfs/dbraw/zinc/76/16/59/602761659.db2.gz MGRYUWOSEXJQKD-UHFFFAOYSA-N -1 0 369.399 -0.358 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H]1COCCO1 ZINC000738140458 598415277 /nfs/dbraw/zinc/41/52/77/598415277.db2.gz VKGQVIVEFGYUNH-JTQLQIEISA-N -1 0 373.778 -0.260 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H]1COCCO1 ZINC000738140460 598415514 /nfs/dbraw/zinc/41/55/14/598415514.db2.gz VKGQVIVEFGYUNH-SNVBAGLBSA-N -1 0 373.778 -0.260 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1F ZINC000738140960 599983970 /nfs/dbraw/zinc/98/39/70/599983970.db2.gz TYOCHGBHVLIJNP-JTQLQIEISA-N -1 0 367.376 -0.297 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1F ZINC000738140961 599983960 /nfs/dbraw/zinc/98/39/60/599983960.db2.gz TYOCHGBHVLIJNP-SNVBAGLBSA-N -1 0 367.376 -0.297 20 0 FBADRM CS(=O)(=O)c1nc(C(=O)N2CCC(O)(C(=O)[O-])CC2)c2ccccn21 ZINC000738141564 604753482 /nfs/dbraw/zinc/75/34/82/604753482.db2.gz AHPBUGQNJINFJX-UHFFFAOYSA-N -1 0 367.383 -0.211 20 0 FBADRM CSc1nnnn1-c1cccc(NC(=O)C(=O)NCCC(=O)[O-])c1 ZINC000738150047 600332425 /nfs/dbraw/zinc/33/24/25/600332425.db2.gz BKLNJTBMVCOYDA-UHFFFAOYSA-N -1 0 350.360 -0.086 20 0 FBADRM CS(=O)(=O)CCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000738152890 600338909 /nfs/dbraw/zinc/33/89/09/600338909.db2.gz AIVFBLGAZIFTTI-GFCCVEGCSA-N -1 0 370.383 -0.584 20 0 FBADRM CS(=O)(=O)CCCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000738152892 600338935 /nfs/dbraw/zinc/33/89/35/600338935.db2.gz AIVFBLGAZIFTTI-LBPRGKRZSA-N -1 0 370.383 -0.584 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)NCCCN1CCC(C(=O)[O-])CC1 ZINC000738152964 600721351 /nfs/dbraw/zinc/72/13/51/600721351.db2.gz CKOQQPFBLXODPL-UHFFFAOYSA-N -1 0 370.493 -0.473 20 0 FBADRM CS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000738153021 600332331 /nfs/dbraw/zinc/33/23/31/600332331.db2.gz HUDFKBKHXVQMOJ-UHFFFAOYSA-N -1 0 358.372 -0.361 20 0 FBADRM CS(=O)(=O)CCNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000738153034 600332469 /nfs/dbraw/zinc/33/24/69/600332469.db2.gz JGPSIRHQOJJMHV-LLVKDONJSA-N -1 0 356.356 -0.974 20 0 FBADRM CS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000738153035 600332228 /nfs/dbraw/zinc/33/22/28/600332228.db2.gz JGPSIRHQOJJMHV-NSHDSACASA-N -1 0 356.356 -0.974 20 0 FBADRM CS(=O)(=O)CCNC(=S)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000738153346 600148500 /nfs/dbraw/zinc/14/85/00/600148500.db2.gz QBVADCQIFIFADW-UHFFFAOYSA-N -1 0 359.429 -0.168 20 0 FBADRM CS(=O)(=O)CCN1CCC(NC(=O)NCCSCC(=O)[O-])CC1 ZINC000738153451 600087220 /nfs/dbraw/zinc/08/72/20/600087220.db2.gz RFZAMWPYBJJIHE-UHFFFAOYSA-N -1 0 367.493 -0.388 20 0 FBADRM CS(=O)(=O)CCCNC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000738153452 599838025 /nfs/dbraw/zinc/83/80/25/599838025.db2.gz RHRACLDYASSSEP-UHFFFAOYSA-N -1 0 371.415 -0.014 20 0 FBADRM CS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000738153492 600332206 /nfs/dbraw/zinc/33/22/06/600332206.db2.gz UYXFCSKVUJYEJH-UHFFFAOYSA-N -1 0 350.299 -0.238 20 0 FBADRM CS(=O)(=O)CCN1CCC(NC(=S)NCCCC(=O)[O-])CC1 ZINC000738153528 600032364 /nfs/dbraw/zinc/03/23/64/600032364.db2.gz WICUAEXWTBXZEZ-UHFFFAOYSA-N -1 0 351.494 -0.176 20 0 FBADRM Cc1[nH]c(C(=O)COC(=O)c2cn(C)c(=O)n(C)c2=O)c(C)c1C(=O)[O-] ZINC000738154210 600267250 /nfs/dbraw/zinc/26/72/50/600267250.db2.gz HDFWXJANDNFNJN-UHFFFAOYSA-N -1 0 363.326 -0.233 20 0 FBADRM CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000738154861 600053345 /nfs/dbraw/zinc/05/33/45/600053345.db2.gz JLRKJKQGHUAPBD-GFCCVEGCSA-N -1 0 370.383 -0.518 20 0 FBADRM CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000738154862 600053293 /nfs/dbraw/zinc/05/32/93/600053293.db2.gz JLRKJKQGHUAPBD-LBPRGKRZSA-N -1 0 370.383 -0.518 20 0 FBADRM Cc1[nH]c(C(=O)COC(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)c1C(=O)[O-] ZINC000738155531 600214681 /nfs/dbraw/zinc/21/46/81/600214681.db2.gz PTDIHVVITQOHJR-UHFFFAOYSA-N -1 0 365.298 -0.524 20 0 FBADRM Cc1[nH]c(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)c(C)c1C(=O)[O-] ZINC000738155545 600171398 /nfs/dbraw/zinc/17/13/98/600171398.db2.gz NTBFFGQMGHPWNZ-JTQLQIEISA-N -1 0 371.415 -0.295 20 0 FBADRM Cc1[nH]c(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)c(C)c1C(=O)[O-] ZINC000738155548 600171460 /nfs/dbraw/zinc/17/14/60/600171460.db2.gz NTBFFGQMGHPWNZ-SNVBAGLBSA-N -1 0 371.415 -0.295 20 0 FBADRM CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)NCCC(=O)[O-])c1 ZINC000738155899 600334131 /nfs/dbraw/zinc/33/41/31/600334131.db2.gz ZMFNSXMBFCZNIP-UHFFFAOYSA-N -1 0 358.372 -0.361 20 0 FBADRM Cc1[nH]c(C(=O)COC(=O)Cn2ncn3nccc3c2=O)c(C)c1C(=O)[O-] ZINC000738156420 600508523 /nfs/dbraw/zinc/50/85/23/600508523.db2.gz VKKZEJTWUZOALD-UHFFFAOYSA-N -1 0 373.325 -0.040 20 0 FBADRM Cc1[nH]c(C(=O)COC(=O)CN2CCC(=O)NC2=O)c(C)c1C(=O)[O-] ZINC000738156762 600214647 /nfs/dbraw/zinc/21/46/47/600214647.db2.gz XJBFQRNOBQTRRK-UHFFFAOYSA-N -1 0 351.315 -0.002 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000738157264 600272210 /nfs/dbraw/zinc/27/22/10/600272210.db2.gz HSTGNEOZWWDNNW-SECBINFHSA-N -1 0 373.362 -0.388 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000738157285 600272354 /nfs/dbraw/zinc/27/23/54/600272354.db2.gz HSTGNEOZWWDNNW-VIFPVBQESA-N -1 0 373.362 -0.388 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000738157472 600493311 /nfs/dbraw/zinc/49/33/11/600493311.db2.gz KRBUQXHSDYULOK-GFCCVEGCSA-N -1 0 362.452 -0.930 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000738157475 600744514 /nfs/dbraw/zinc/74/45/14/600744514.db2.gz KRBUQXHSDYULOK-LBPRGKRZSA-N -1 0 362.452 -0.930 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)NCc2ccc(C(=O)[O-])o2)CC1 ZINC000738157515 600531509 /nfs/dbraw/zinc/53/15/09/600531509.db2.gz LPOBIMIVFHWRSI-UHFFFAOYSA-N -1 0 374.419 -0.646 20 0 FBADRM CS(=O)(=O)N1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])cn2)CC1 ZINC000738158030 600450160 /nfs/dbraw/zinc/45/01/60/600450160.db2.gz OVMHTLPNTGXIPV-NEPJUHHUSA-N -1 0 368.415 -0.178 20 0 FBADRM CS(=O)(=O)N1CCN(c2ccc(NC(=O)[C@H]3C[C@H]3C(=O)[O-])cn2)CC1 ZINC000738158032 600450177 /nfs/dbraw/zinc/45/01/77/600450177.db2.gz OVMHTLPNTGXIPV-NWDGAFQWSA-N -1 0 368.415 -0.178 20 0 FBADRM CS(=O)(=O)N1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])cn2)CC1 ZINC000738158034 600450203 /nfs/dbraw/zinc/45/02/03/600450203.db2.gz OVMHTLPNTGXIPV-RYUDHWBXSA-N -1 0 368.415 -0.178 20 0 FBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)OCc1noc(CCCC(=O)[O-])n1 ZINC000738158048 659969192 /nfs/dbraw/zinc/96/91/92/659969192.db2.gz PIZKQWKRABUFLK-VIFPVBQESA-N -1 0 361.376 -0.056 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCc1noc(CCC(=O)[O-])n1 ZINC000738158090 600189677 /nfs/dbraw/zinc/18/96/77/600189677.db2.gz QLPYSGYEULAFNN-SECBINFHSA-N -1 0 361.376 -0.056 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)OCc1noc(CCC(=O)[O-])n1 ZINC000738158091 600189645 /nfs/dbraw/zinc/18/96/45/600189645.db2.gz QLPYSGYEULAFNN-VIFPVBQESA-N -1 0 361.376 -0.056 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000738158508 600327088 /nfs/dbraw/zinc/32/70/88/600327088.db2.gz SURACCQYVUROEI-SECBINFHSA-N -1 0 373.362 -0.388 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000738158509 600327194 /nfs/dbraw/zinc/32/71/94/600327194.db2.gz SURACCQYVUROEI-VIFPVBQESA-N -1 0 373.362 -0.388 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)NCCCCCC(=O)[O-])CC1 ZINC000738158523 600046341 /nfs/dbraw/zinc/04/63/41/600046341.db2.gz UFUOTRMBCBFAHA-UHFFFAOYSA-N -1 0 364.468 -0.492 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000738158549 600327001 /nfs/dbraw/zinc/32/70/01/600327001.db2.gz VLQNWGZJSNBVSK-SECBINFHSA-N -1 0 373.362 -0.388 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000738158550 600327181 /nfs/dbraw/zinc/32/71/81/600327181.db2.gz VLQNWGZJSNBVSK-VIFPVBQESA-N -1 0 373.362 -0.388 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)NCc2cccc(OCC(=O)[O-])c2)CC1 ZINC000738158555 600188793 /nfs/dbraw/zinc/18/87/93/600188793.db2.gz VPEQLQHCMQEIGA-UHFFFAOYSA-N -1 0 371.415 -0.063 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000738158558 600307459 /nfs/dbraw/zinc/30/74/59/600307459.db2.gz VSRGOLPAODPLMP-UHFFFAOYSA-N -1 0 373.362 -0.434 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2cccc(NC(=O)[O-])c2)C1 ZINC000738158774 600272370 /nfs/dbraw/zinc/27/23/70/600272370.db2.gz YELRZPLRZXMGHS-LLVKDONJSA-N -1 0 370.387 -0.135 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2cccc(NC(=O)[O-])c2)C1 ZINC000738158776 600272231 /nfs/dbraw/zinc/27/22/31/600272231.db2.gz YELRZPLRZXMGHS-NSHDSACASA-N -1 0 370.387 -0.135 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC000738158858 600272396 /nfs/dbraw/zinc/27/23/96/600272396.db2.gz ZRXUIZRLHUXNIU-GFCCVEGCSA-N -1 0 369.399 -0.598 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC000738158859 600272291 /nfs/dbraw/zinc/27/22/91/600272291.db2.gz ZRXUIZRLHUXNIU-LBPRGKRZSA-N -1 0 369.399 -0.598 20 0 FBADRM CS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000738159595 600053326 /nfs/dbraw/zinc/05/33/26/600053326.db2.gz CXAHYROWWXFIJW-GFCCVEGCSA-N -1 0 370.383 -0.518 20 0 FBADRM CS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000738159598 600053357 /nfs/dbraw/zinc/05/33/57/600053357.db2.gz CXAHYROWWXFIJW-LBPRGKRZSA-N -1 0 370.383 -0.518 20 0 FBADRM CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000738160371 600053381 /nfs/dbraw/zinc/05/33/81/600053381.db2.gz KKNXGSRBBVBHCN-GFCCVEGCSA-N -1 0 370.383 -0.518 20 0 FBADRM CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000738160375 600053330 /nfs/dbraw/zinc/05/33/30/600053330.db2.gz KKNXGSRBBVBHCN-LBPRGKRZSA-N -1 0 370.383 -0.518 20 0 FBADRM CS(=O)(=O)N1CCC(CNC(=O)NCCSCC(=O)[O-])CC1 ZINC000738161729 599906178 /nfs/dbraw/zinc/90/61/78/599906178.db2.gz UTPAIPJYKACAFR-UHFFFAOYSA-N -1 0 353.466 -0.225 20 0 FBADRM Cc1[nH]c(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)c(C)c1C(=O)[O-] ZINC000738162290 600547378 /nfs/dbraw/zinc/54/73/78/600547378.db2.gz VMTMMOBIARFRDU-JTQLQIEISA-N -1 0 358.420 -0.025 20 0 FBADRM Cc1[nH]c(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)c(C)c1C(=O)[O-] ZINC000738162294 600547234 /nfs/dbraw/zinc/54/72/34/600547234.db2.gz VMTMMOBIARFRDU-SNVBAGLBSA-N -1 0 358.420 -0.025 20 0 FBADRM CS(=O)(=O)Nc1cc(C(=O)OCC(=O)NCCC(=O)[O-])ccc1F ZINC000738163797 599748781 /nfs/dbraw/zinc/74/87/81/599748781.db2.gz GYUASIKGBXSGKZ-UHFFFAOYSA-N -1 0 362.335 -0.055 20 0 FBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000738164194 604306216 /nfs/dbraw/zinc/30/62/16/604306216.db2.gz UMCUCXFDZYQOFO-JTQLQIEISA-N -1 0 371.415 -0.295 20 0 FBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000738164196 604306225 /nfs/dbraw/zinc/30/62/25/604306225.db2.gz UMCUCXFDZYQOFO-SNVBAGLBSA-N -1 0 371.415 -0.295 20 0 FBADRM CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738164577 600362690 /nfs/dbraw/zinc/36/26/90/600362690.db2.gz BRVVUTARSNVDRX-UHFFFAOYSA-N -1 0 358.376 -0.942 20 0 FBADRM CS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000738164631 599878069 /nfs/dbraw/zinc/87/80/69/599878069.db2.gz BSLUYYFSBCUPMO-UHFFFAOYSA-N -1 0 371.415 -0.302 20 0 FBADRM CS(=O)(=O)NCCC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000738164724 599766405 /nfs/dbraw/zinc/76/64/05/599766405.db2.gz DCPYKNBYIIEQLK-UHFFFAOYSA-N -1 0 357.388 -0.231 20 0 FBADRM CS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000738164877 600304088 /nfs/dbraw/zinc/30/40/88/600304088.db2.gz GANBWRBMOCHUGB-UHFFFAOYSA-N -1 0 361.351 -0.482 20 0 FBADRM CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000738164895 600309815 /nfs/dbraw/zinc/30/98/15/600309815.db2.gz GJLTXRZBJNEUTC-LLVKDONJSA-N -1 0 369.399 -0.393 20 0 FBADRM CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000738164897 600309957 /nfs/dbraw/zinc/30/99/57/600309957.db2.gz GJLTXRZBJNEUTC-NSHDSACASA-N -1 0 369.399 -0.393 20 0 FBADRM CS(=O)(=O)NCCNC(=S)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000738164959 600007040 /nfs/dbraw/zinc/00/70/40/600007040.db2.gz JBYZCILWZAMMAQ-UHFFFAOYSA-N -1 0 374.444 -0.663 20 0 FBADRM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NCCSCC(=O)[O-])C1 ZINC000738164960 599899312 /nfs/dbraw/zinc/89/93/12/599899312.db2.gz JENZLTQBAJZIGA-JTQLQIEISA-N -1 0 353.466 -0.225 20 0 FBADRM CS(=O)(=O)NC[C@H]1CCCN(C(=O)NCCSCC(=O)[O-])C1 ZINC000738164961 599899291 /nfs/dbraw/zinc/89/92/91/599899291.db2.gz JENZLTQBAJZIGA-SNVBAGLBSA-N -1 0 353.466 -0.225 20 0 FBADRM CS(=O)(=O)NCCNC(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000738164967 600632509 /nfs/dbraw/zinc/63/25/09/600632509.db2.gz JNFVRZLLQZKFAQ-UHFFFAOYSA-N -1 0 351.410 -0.384 20 0 FBADRM CS(=O)(=O)NCCc1ccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1 ZINC000738165068 600179102 /nfs/dbraw/zinc/17/91/02/600179102.db2.gz KEZQNLDAKQSXCY-UHFFFAOYSA-N -1 0 367.387 -0.224 20 0 FBADRM CS(=O)(=O)NCCNC(=S)NCc1cccc(OCC(=O)[O-])c1 ZINC000738165075 600568176 /nfs/dbraw/zinc/56/81/76/600568176.db2.gz KMCMDTHWLODNHJ-UHFFFAOYSA-N -1 0 361.445 -0.337 20 0 FBADRM CS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000738165088 600304128 /nfs/dbraw/zinc/30/41/28/600304128.db2.gz LELRKSSJMZCFPF-UHFFFAOYSA-N -1 0 361.351 -0.482 20 0 FBADRM CS(=O)(=O)NCCc1ccc(C(=O)Cn2cnc(C(=O)[O-])n2)cc1 ZINC000738165155 600473619 /nfs/dbraw/zinc/47/36/19/600473619.db2.gz OUHXSHMQDOPMKR-UHFFFAOYSA-N -1 0 352.372 -0.049 20 0 FBADRM CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000738165395 599877191 /nfs/dbraw/zinc/87/71/91/599877191.db2.gz SEBMDQVDHWLESZ-UHFFFAOYSA-N -1 0 357.388 -0.692 20 0 FBADRM CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738165401 599722679 /nfs/dbraw/zinc/72/26/79/599722679.db2.gz SHXNTQUGYVDTPC-UHFFFAOYSA-N -1 0 362.339 -0.481 20 0 FBADRM CS(=O)(=O)NCCNC(=S)NCCOc1ccc(C(=O)[O-])cc1 ZINC000738165439 599887303 /nfs/dbraw/zinc/88/73/03/599887303.db2.gz SWBWNCBBORRKMB-UHFFFAOYSA-N -1 0 361.445 -0.223 20 0 FBADRM CS(=O)(=O)NCCNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000738165519 600301473 /nfs/dbraw/zinc/30/14/73/600301473.db2.gz UYFCOUWFMQKGJM-UHFFFAOYSA-N -1 0 363.779 -0.358 20 0 FBADRM CS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738165521 600363397 /nfs/dbraw/zinc/36/33/97/600363397.db2.gz VCRHNXNYWSCGIX-UHFFFAOYSA-N -1 0 372.403 -0.552 20 0 FBADRM CS(=O)(=O)NCCc1ccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)s1 ZINC000738165529 600183851 /nfs/dbraw/zinc/18/38/51/600183851.db2.gz VHRMNRRXJKCEOB-UHFFFAOYSA-N -1 0 373.416 -0.163 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])C1 ZINC000738165531 600265260 /nfs/dbraw/zinc/26/52/60/600265260.db2.gz VJSNAJQQSOWVJW-SECBINFHSA-N -1 0 366.392 -0.164 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])C1 ZINC000738165533 600265073 /nfs/dbraw/zinc/26/50/73/600265073.db2.gz VJSNAJQQSOWVJW-VIFPVBQESA-N -1 0 366.392 -0.164 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1 ZINC000738165659 600265257 /nfs/dbraw/zinc/26/52/57/600265257.db2.gz YLWUAXXHAURQAD-SECBINFHSA-N -1 0 366.392 -0.164 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1 ZINC000738165661 600265057 /nfs/dbraw/zinc/26/50/57/600265057.db2.gz YLWUAXXHAURQAD-VIFPVBQESA-N -1 0 366.392 -0.164 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000738165748 600263187 /nfs/dbraw/zinc/26/31/87/600263187.db2.gz ZLZJKHOPOCRSLC-CHWSQXEVSA-N -1 0 358.416 -0.252 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000738165752 600263173 /nfs/dbraw/zinc/26/31/73/600263173.db2.gz ZLZJKHOPOCRSLC-OLZOCXBDSA-N -1 0 358.416 -0.252 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000738165754 600263150 /nfs/dbraw/zinc/26/31/50/600263150.db2.gz ZLZJKHOPOCRSLC-QWHCGFSZSA-N -1 0 358.416 -0.252 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000738165756 600263163 /nfs/dbraw/zinc/26/31/63/600263163.db2.gz ZLZJKHOPOCRSLC-STQMWFEESA-N -1 0 358.416 -0.252 20 0 FBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCC(=O)NCCN1CCOCC1 ZINC000738167155 604312679 /nfs/dbraw/zinc/31/26/79/604312679.db2.gz XUEYTOCPDWYUKF-UHFFFAOYSA-N -1 0 352.391 -0.492 20 0 FBADRM CS(=O)(=O)c1ccc(-n2nnnc2COC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000738167617 600166446 /nfs/dbraw/zinc/16/64/46/600166446.db2.gz DXRXKEQQKQZPCT-GHMZBOCLSA-N -1 0 366.355 -0.170 20 0 FBADRM CS(=O)(=O)c1ccc(-n2nnnc2COC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000738167620 600166618 /nfs/dbraw/zinc/16/66/18/600166618.db2.gz DXRXKEQQKQZPCT-MNOVXSKESA-N -1 0 366.355 -0.170 20 0 FBADRM CS(=O)(=O)c1ccc(-n2nnnc2COC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000738167621 600166503 /nfs/dbraw/zinc/16/65/03/600166503.db2.gz DXRXKEQQKQZPCT-QWRGUYRKSA-N -1 0 366.355 -0.170 20 0 FBADRM CS(=O)(=O)c1ccc(-n2nnnc2COC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000738167625 600166681 /nfs/dbraw/zinc/16/66/81/600166681.db2.gz DXRXKEQQKQZPCT-WDEREUQCSA-N -1 0 366.355 -0.170 20 0 FBADRM CS(=O)(=O)c1ccc(-n2nnnc2COC(=O)CCNC(=O)[O-])cc1 ZINC000738167658 600200284 /nfs/dbraw/zinc/20/02/84/600200284.db2.gz FUMKCIOZOOLMCD-UHFFFAOYSA-N -1 0 369.359 -0.233 20 0 FBADRM CS(=O)(=O)Nc1cccc(CC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC000738167972 600059093 /nfs/dbraw/zinc/05/90/93/600059093.db2.gz KIMCUDMRZIJXLP-GFCCVEGCSA-N -1 0 369.399 -0.598 20 0 FBADRM CS(=O)(=O)Nc1cccc(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC000738167975 600059273 /nfs/dbraw/zinc/05/92/73/600059273.db2.gz KIMCUDMRZIJXLP-LBPRGKRZSA-N -1 0 369.399 -0.598 20 0 FBADRM CS(=O)(=O)Nc1cccc(CC(=O)OCC(=O)NCCC(=O)[O-])c1 ZINC000738168066 600107940 /nfs/dbraw/zinc/10/79/40/600107940.db2.gz LVTNUTIGJLOLOG-UHFFFAOYSA-N -1 0 358.372 -0.265 20 0 FBADRM CS(=O)(=O)Nc1cccc(CC(=O)Nc2n[nH]c(CC(=O)[O-])n2)c1 ZINC000738168697 600180306 /nfs/dbraw/zinc/18/03/06/600180306.db2.gz SGMYJWHYUAFEQZ-UHFFFAOYSA-N -1 0 353.360 -0.016 20 0 FBADRM CS(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000738175703 600055254 /nfs/dbraw/zinc/05/52/54/600055254.db2.gz DDNMZNVXDCBMMC-JTQLQIEISA-N -1 0 356.356 -0.659 20 0 FBADRM CS(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000738175704 600055196 /nfs/dbraw/zinc/05/51/96/600055196.db2.gz DDNMZNVXDCBMMC-SNVBAGLBSA-N -1 0 356.356 -0.659 20 0 FBADRM CS(=O)(=O)c1ccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cc1 ZINC000738175834 600172149 /nfs/dbraw/zinc/17/21/49/600172149.db2.gz POHQIYHZTCQOJG-UHFFFAOYSA-N -1 0 370.427 -0.051 20 0 FBADRM CS(=O)(=O)c1ccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])o1 ZINC000738175912 600590727 /nfs/dbraw/zinc/59/07/27/600590727.db2.gz SIMQCEHEMFJLIX-UHFFFAOYSA-N -1 0 360.388 -0.458 20 0 FBADRM CS(=O)(=O)c1ccc(CNC(=O)COC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000738175914 600168197 /nfs/dbraw/zinc/16/81/97/600168197.db2.gz SKIBOCTXHRUFKO-NEPJUHHUSA-N -1 0 355.368 -0.030 20 0 FBADRM CS(=O)(=O)c1ccc(CNC(=O)COC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000738175918 600168126 /nfs/dbraw/zinc/16/81/26/600168126.db2.gz SKIBOCTXHRUFKO-NWDGAFQWSA-N -1 0 355.368 -0.030 20 0 FBADRM CS(=O)(=O)c1ccc(CNC(=O)COC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000738175923 600168018 /nfs/dbraw/zinc/16/80/18/600168018.db2.gz SKIBOCTXHRUFKO-RYUDHWBXSA-N -1 0 355.368 -0.030 20 0 FBADRM CS(=O)(=O)c1ccc(CNC(=O)COC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000738175929 600168271 /nfs/dbraw/zinc/16/82/71/600168271.db2.gz SKIBOCTXHRUFKO-VXGBXAGGSA-N -1 0 355.368 -0.030 20 0 FBADRM CS(=O)(=O)c1ccc(CNC(=O)COC(=O)CCNC(=O)[O-])cc1 ZINC000738176014 600201586 /nfs/dbraw/zinc/20/15/86/600201586.db2.gz TWHBJKXUKJVSIR-UHFFFAOYSA-N -1 0 358.372 -0.093 20 0 FBADRM CS(=O)(=O)c1cccc(OCCN2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC000738176128 600429430 /nfs/dbraw/zinc/42/94/30/600429430.db2.gz LQCHEOSAHODWOV-CYBMUJFWSA-N -1 0 356.400 -0.256 20 0 FBADRM CS(=O)(=O)c1cccc(OCCN2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC000738176129 600429584 /nfs/dbraw/zinc/42/95/84/600429584.db2.gz LQCHEOSAHODWOV-ZDUSSCGKSA-N -1 0 356.400 -0.256 20 0 FBADRM CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000738176375 600055217 /nfs/dbraw/zinc/05/52/17/600055217.db2.gz WOXIZZMGAFMBHN-LLVKDONJSA-N -1 0 374.346 -0.520 20 0 FBADRM CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000738176376 600054083 /nfs/dbraw/zinc/05/40/83/600054083.db2.gz WOXIZZMGAFMBHN-NSHDSACASA-N -1 0 374.346 -0.520 20 0 FBADRM CS(=O)(=O)c1ccc(CNC(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000738176382 600310365 /nfs/dbraw/zinc/31/03/65/600310365.db2.gz WUJFEDWPHUHFDT-YPMHNXCESA-N -1 0 356.400 -0.774 20 0 FBADRM CS(=O)(=O)c1cccc(NC(=O)CN2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC000738176691 600042617 /nfs/dbraw/zinc/04/26/17/600042617.db2.gz TZODOZZRJGAWFV-GFCCVEGCSA-N -1 0 369.399 -0.696 20 0 FBADRM CS(=O)(=O)c1cccc(NC(=O)CN2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC000738176692 600042552 /nfs/dbraw/zinc/04/25/52/600042552.db2.gz TZODOZZRJGAWFV-LBPRGKRZSA-N -1 0 369.399 -0.696 20 0 FBADRM CS(=O)(=O)c1nc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c2ccccn21 ZINC000738176722 600533010 /nfs/dbraw/zinc/53/30/10/600533010.db2.gz WGUHTAVSTFBRMC-UHFFFAOYSA-N -1 0 364.343 -0.265 20 0 FBADRM CS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000738176786 600055261 /nfs/dbraw/zinc/05/52/61/600055261.db2.gz AARYRZXSTBIXKB-LLVKDONJSA-N -1 0 356.356 -0.659 20 0 FBADRM CS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000738176789 600055151 /nfs/dbraw/zinc/05/51/51/600055151.db2.gz AARYRZXSTBIXKB-NSHDSACASA-N -1 0 356.356 -0.659 20 0 FBADRM CS(=O)(=O)c1ccc(OCCN2C(=O)N[C@H](CC(=O)[O-])C2=O)cc1 ZINC000738176886 600984039 /nfs/dbraw/zinc/98/40/39/600984039.db2.gz GFRWGRCDLGVMLD-LLVKDONJSA-N -1 0 356.356 -0.136 20 0 FBADRM CS(=O)(=O)c1ccc(OCCN2C(=O)N[C@@H](CC(=O)[O-])C2=O)cc1 ZINC000738176890 600984273 /nfs/dbraw/zinc/98/42/73/600984273.db2.gz GFRWGRCDLGVMLD-NSHDSACASA-N -1 0 356.356 -0.136 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000738177126 603319592 /nfs/dbraw/zinc/31/95/92/603319592.db2.gz LNNMRYDJJMRYDV-JTQLQIEISA-N -1 0 370.387 -0.318 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000738177127 603319652 /nfs/dbraw/zinc/31/96/52/603319652.db2.gz LNNMRYDJJMRYDV-SNVBAGLBSA-N -1 0 370.387 -0.318 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000738177131 600055127 /nfs/dbraw/zinc/05/51/27/600055127.db2.gz LRMQHYPWAITIRM-LLVKDONJSA-N -1 0 356.356 -0.659 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000738177132 600055194 /nfs/dbraw/zinc/05/51/94/600055194.db2.gz LRMQHYPWAITIRM-NSHDSACASA-N -1 0 356.356 -0.659 20 0 FBADRM C[S@](=O)CCNC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1 ZINC000738179011 600257030 /nfs/dbraw/zinc/25/70/30/600257030.db2.gz FEIICUAHJOPROV-DEOSSOPVSA-N -1 0 351.384 -0.099 20 0 FBADRM C[S@@](=O)CCNC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1 ZINC000738179012 600257131 /nfs/dbraw/zinc/25/71/31/600257131.db2.gz FEIICUAHJOPROV-XMMPIXPASA-N -1 0 351.384 -0.099 20 0 FBADRM CSCCNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000738191201 600331262 /nfs/dbraw/zinc/33/12/62/600331262.db2.gz REMUHQZYHRSFJS-UHFFFAOYSA-N -1 0 353.400 -0.152 20 0 FBADRM Cc1c(NC(=O)C(=O)NCCC(=O)[O-])cccc1S(=O)(=O)NC1CC1 ZINC000738201296 600752295 /nfs/dbraw/zinc/75/22/95/600752295.db2.gz BCXBQUJYLWYGGX-UHFFFAOYSA-N -1 0 369.399 -0.035 20 0 FBADRM Cc1cc(C(=O)N2CCN(C(=O)[O-])CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000738201349 602820738 /nfs/dbraw/zinc/82/07/38/602820738.db2.gz KMMKMRXHWCCEEP-UHFFFAOYSA-N -1 0 361.358 -0.624 20 0 FBADRM Cc1c(NC(=O)C(=O)NCCC(=O)[O-])cccc1C(=O)N1CCOCC1 ZINC000738202573 600333217 /nfs/dbraw/zinc/33/32/17/600333217.db2.gz RXLWAVSEEALKJW-UHFFFAOYSA-N -1 0 363.370 -0.003 20 0 FBADRM Cc1cc(C(=O)OCCN(C)C(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000738217341 602926726 /nfs/dbraw/zinc/92/67/26/602926726.db2.gz GCFLMHWKCURVHN-UHFFFAOYSA-N -1 0 350.331 -0.293 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H](CO)C(=O)[O-] ZINC000738225410 599743616 /nfs/dbraw/zinc/74/36/16/599743616.db2.gz VNWDOJWNHCKVRC-OIBJUYFYSA-N -1 0 350.780 -0.432 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](CO)C(=O)[O-] ZINC000738225411 599743697 /nfs/dbraw/zinc/74/36/97/599743697.db2.gz VNWDOJWNHCKVRC-XVKPBYJWSA-N -1 0 350.780 -0.432 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000738228226 660541509 /nfs/dbraw/zinc/54/15/09/660541509.db2.gz PLOWCNHSQSEFSG-ZETCQYMHSA-N -1 0 371.350 -0.124 20 0 FBADRM Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000738228827 600266005 /nfs/dbraw/zinc/26/60/05/600266005.db2.gz BXKVAGVLNAPJLD-UHFFFAOYSA-N -1 0 368.390 -0.626 20 0 FBADRM Cc1cc(NC(=O)CN2CCN(S(=O)(=O)CCCC(=O)[O-])CC2)no1 ZINC000738230521 600401488 /nfs/dbraw/zinc/40/14/88/600401488.db2.gz JXGLEXXUQXOGAL-UHFFFAOYSA-N -1 0 374.419 -0.266 20 0 FBADRM Cc1cc(NC(=O)CN(C)CCC(=O)[O-])n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000738230547 596996062 /nfs/dbraw/zinc/99/60/62/596996062.db2.gz KKVAABHLUMBSBJ-LLVKDONJSA-N -1 0 358.420 -0.104 20 0 FBADRM Cc1cc(NC(=O)CN(C)CCC(=O)[O-])n([C@H]2CCS(=O)(=O)C2)n1 ZINC000738230556 596996581 /nfs/dbraw/zinc/99/65/81/596996581.db2.gz KKVAABHLUMBSBJ-NSHDSACASA-N -1 0 358.420 -0.104 20 0 FBADRM Cc1cc(NC(=O)C(=O)N(C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)no1 ZINC000738234659 660542023 /nfs/dbraw/zinc/54/20/23/660542023.db2.gz JUYVNAWDMHPRNV-JTQLQIEISA-N -1 0 352.347 -0.297 20 0 FBADRM Cc1cc(NC(=O)C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)no1 ZINC000738234661 660542031 /nfs/dbraw/zinc/54/20/31/660542031.db2.gz JUYVNAWDMHPRNV-SNVBAGLBSA-N -1 0 352.347 -0.297 20 0 FBADRM Cc1cc(N2CCN(S(=O)(=O)CCCC(=O)[O-])CC2)n2ncnc2n1 ZINC000738234769 600492813 /nfs/dbraw/zinc/49/28/13/600492813.db2.gz LMSSVWDPCSJPRZ-UHFFFAOYSA-N -1 0 368.419 -0.251 20 0 FBADRM Cc1[nH]c(C(=O)[C@@H](C)OC(=O)CN2CC(=O)NC2=O)c(C)c1C(=O)[O-] ZINC000738236624 600177861 /nfs/dbraw/zinc/17/78/61/600177861.db2.gz NPDNJSDFRLNJER-MRVPVSSYSA-N -1 0 351.315 -0.004 20 0 FBADRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)CN2CC(=O)NC2=O)c(C)c1C(=O)[O-] ZINC000738236625 600177825 /nfs/dbraw/zinc/17/78/25/600177825.db2.gz NPDNJSDFRLNJER-QMMMGPOBSA-N -1 0 351.315 -0.004 20 0 FBADRM Cc1cc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000738241691 600006562 /nfs/dbraw/zinc/00/65/62/600006562.db2.gz RYUJGCXLSRZVJU-GHMZBOCLSA-N -1 0 372.403 -0.132 20 0 FBADRM Cc1cc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000738241693 600006553 /nfs/dbraw/zinc/00/65/53/600006553.db2.gz RYUJGCXLSRZVJU-MNOVXSKESA-N -1 0 372.403 -0.132 20 0 FBADRM Cc1cc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000738241697 600006696 /nfs/dbraw/zinc/00/66/96/600006696.db2.gz RYUJGCXLSRZVJU-QWRGUYRKSA-N -1 0 372.403 -0.132 20 0 FBADRM Cc1cc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000738241699 600006836 /nfs/dbraw/zinc/00/68/36/600006836.db2.gz RYUJGCXLSRZVJU-WDEREUQCSA-N -1 0 372.403 -0.132 20 0 FBADRM Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCO[C@@H](C(=O)[O-])C2)c1C ZINC000738252226 599975819 /nfs/dbraw/zinc/97/58/19/599975819.db2.gz YCPJNVOMVJXELT-CYBMUJFWSA-N -1 0 371.415 -0.325 20 0 FBADRM Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCO[C@H](C(=O)[O-])C2)c1C ZINC000738252228 599975660 /nfs/dbraw/zinc/97/56/60/599975660.db2.gz YCPJNVOMVJXELT-ZDUSSCGKSA-N -1 0 371.415 -0.325 20 0 FBADRM Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCC(=O)[O-] ZINC000738256503 600333176 /nfs/dbraw/zinc/33/31/76/600333176.db2.gz SRECJMYVWNQDNV-UHFFFAOYSA-N -1 0 363.370 -0.003 20 0 FBADRM Cc1c(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)[O-])c2)nnn1C ZINC000738262501 600902476 /nfs/dbraw/zinc/90/24/76/600902476.db2.gz APQBJTSDVJLQJM-UHFFFAOYSA-N -1 0 353.360 -0.261 20 0 FBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCCCN1C(=O)CNC1=O ZINC000738274238 599939582 /nfs/dbraw/zinc/93/95/82/599939582.db2.gz BLFZDYNSIQKNLQ-UHFFFAOYSA-N -1 0 355.372 -0.087 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000738277173 601345244 /nfs/dbraw/zinc/34/52/44/601345244.db2.gz CNPPVJCHFBTGNZ-JTQLQIEISA-N -1 0 369.399 -0.096 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000738277175 601345348 /nfs/dbraw/zinc/34/53/48/601345348.db2.gz CNPPVJCHFBTGNZ-SNVBAGLBSA-N -1 0 369.399 -0.096 20 0 FBADRM Cc1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000738277374 600336049 /nfs/dbraw/zinc/33/60/49/600336049.db2.gz DNZYSRXVICFUIW-UHFFFAOYSA-N -1 0 357.388 -0.225 20 0 FBADRM Cc1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000738277735 600752539 /nfs/dbraw/zinc/75/25/39/600752539.db2.gz FYMHJKCGCSYQEZ-UHFFFAOYSA-N -1 0 369.399 -0.035 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)cc1S(N)(=O)=O ZINC000738278185 601341028 /nfs/dbraw/zinc/34/10/28/601341028.db2.gz JOTPCCRZHLTMLO-UHFFFAOYSA-N -1 0 369.399 -0.096 20 0 FBADRM Cc1ccc(NC(=O)C(=O)NCCC(=O)[O-])c(OCC(=O)N(C)C)c1 ZINC000738278255 600335138 /nfs/dbraw/zinc/33/51/38/600335138.db2.gz LBPHJBDXSTYOAC-UHFFFAOYSA-N -1 0 351.359 -0.009 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)[O-])CC2)cc1S(N)(=O)=O ZINC000738279316 603390617 /nfs/dbraw/zinc/39/06/17/603390617.db2.gz TXLUXQKWDLRWCX-UHFFFAOYSA-N -1 0 370.387 -0.597 20 0 FBADRM Cc1ccc(NC(=O)CN2CCO[C@@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000738279328 599975880 /nfs/dbraw/zinc/97/58/80/599975880.db2.gz GKFVFFLIVIVHNQ-LLVKDONJSA-N -1 0 357.388 -0.634 20 0 FBADRM Cc1ccc(NC(=O)CN2CCO[C@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000738279330 599975737 /nfs/dbraw/zinc/97/57/37/599975737.db2.gz GKFVFFLIVIVHNQ-NSHDSACASA-N -1 0 357.388 -0.634 20 0 FBADRM Cc1c(C(=O)[O-])sc2[nH]c(CN3CCN(CC(N)=O)CC3)nc(=O)c12 ZINC000738290254 599763945 /nfs/dbraw/zinc/76/39/45/599763945.db2.gz JYYZGEQWLKIMTR-UHFFFAOYSA-N -1 0 365.415 -0.406 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000738293238 598289071 /nfs/dbraw/zinc/28/90/71/598289071.db2.gz UBYLIGLOSDRVNP-UHFFFAOYSA-N -1 0 359.325 -0.208 20 0 FBADRM O=C(c1cc(=O)[nH][n-]1)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738294297 598719729 /nfs/dbraw/zinc/71/97/29/598719729.db2.gz BQJMCSYFLIXQRN-UHFFFAOYSA-N -1 0 354.374 -0.219 20 0 FBADRM O=C(c1cc(=O)[nH][n-]1)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738297691 598718247 /nfs/dbraw/zinc/71/82/47/598718247.db2.gz UQPWGWLZEVAORA-UHFFFAOYSA-N -1 0 354.374 -0.613 20 0 FBADRM O=C(c1cc(=O)[nH][n-]1)N1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000738298115 598625276 /nfs/dbraw/zinc/62/52/76/598625276.db2.gz WFADXFYXDXUOGT-UHFFFAOYSA-N -1 0 358.337 -0.470 20 0 FBADRM O=C(c1cc(=O)[nH][n-]1)N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000738298128 598721079 /nfs/dbraw/zinc/72/10/79/598721079.db2.gz WJKFGVYIMUVAJV-UHFFFAOYSA-N -1 0 358.337 -0.470 20 0 FBADRM O=C(NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1cc(=O)[nH][n-]1 ZINC000738298762 598721586 /nfs/dbraw/zinc/72/15/86/598721586.db2.gz XUJWBAUEMBZNQK-UHFFFAOYSA-N -1 0 355.362 -0.777 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H]1CNC(=O)C1 ZINC000738301129 598415626 /nfs/dbraw/zinc/41/56/26/598415626.db2.gz KUWBXSIPMRAFOO-LURJTMIESA-N -1 0 370.778 -0.539 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H]1CNC(=O)C1 ZINC000738301130 598416036 /nfs/dbraw/zinc/41/60/36/598416036.db2.gz KUWBXSIPMRAFOO-ZCFIWIBFSA-N -1 0 370.778 -0.539 20 0 FBADRM Cc1c(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)cccc1C(=O)[O-] ZINC000738301181 599882913 /nfs/dbraw/zinc/88/29/13/599882913.db2.gz CTUBMCXQHJSDLS-UHFFFAOYSA-N -1 0 362.342 -0.310 20 0 FBADRM Cc1c(NC(=O)C(=O)NCCSCC(=O)[O-])cccc1-n1cnnn1 ZINC000738301233 599909765 /nfs/dbraw/zinc/90/97/65/599909765.db2.gz DTMNIRVTOLPVNA-UHFFFAOYSA-N -1 0 364.387 -0.157 20 0 FBADRM Cc1c(NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cccc1C(=O)[O-] ZINC000738303435 600272273 /nfs/dbraw/zinc/27/22/73/600272273.db2.gz YHIWWNRUVLVRSQ-JTQLQIEISA-N -1 0 369.399 -0.218 20 0 FBADRM Cc1c(NC(=O)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cccc1C(=O)[O-] ZINC000738303642 600272437 /nfs/dbraw/zinc/27/24/37/600272437.db2.gz YHIWWNRUVLVRSQ-SNVBAGLBSA-N -1 0 369.399 -0.218 20 0 FBADRM Cc1c(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cccc1-n1cnnn1 ZINC000738303643 600054064 /nfs/dbraw/zinc/05/40/64/600054064.db2.gz YJRJJEGDNHKMNL-GFCCVEGCSA-N -1 0 360.330 -0.779 20 0 FBADRM Cc1c(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cccc1-n1cnnn1 ZINC000738303644 600055233 /nfs/dbraw/zinc/05/52/33/600055233.db2.gz YJRJJEGDNHKMNL-LBPRGKRZSA-N -1 0 360.330 -0.779 20 0 FBADRM O=C([C@@H]1CCC(=O)N1)N1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000738304495 598719684 /nfs/dbraw/zinc/71/96/84/598719684.db2.gz MDIXZMCASIRQCG-JTQLQIEISA-N -1 0 372.389 -0.341 20 0 FBADRM O=C([C@H]1CCC(=O)N1)N1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000738304496 598308362 /nfs/dbraw/zinc/30/83/62/598308362.db2.gz MDIXZMCASIRQCG-SNVBAGLBSA-N -1 0 372.389 -0.341 20 0 FBADRM Cc1cc(=O)n2nc(CN(CCN3CCOCC3)CC(=O)[O-])sc2n1 ZINC000738315584 600316275 /nfs/dbraw/zinc/31/62/75/600316275.db2.gz ZFSUYVHBOZZLFO-UHFFFAOYSA-N -1 0 367.431 -0.322 20 0 FBADRM Cc1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])ccc1S(N)(=O)=O ZINC000738326331 600256715 /nfs/dbraw/zinc/25/67/15/600256715.db2.gz LCOCHGSUKGGEBC-JTQLQIEISA-N -1 0 355.372 -0.942 20 0 FBADRM Cc1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])ccc1S(N)(=O)=O ZINC000738326334 600256827 /nfs/dbraw/zinc/25/68/27/600256827.db2.gz LCOCHGSUKGGEBC-SNVBAGLBSA-N -1 0 355.372 -0.942 20 0 FBADRM Cc1cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])ccc1-n1cnnn1 ZINC000738327506 600264670 /nfs/dbraw/zinc/26/46/70/600264670.db2.gz HTZYHWLPHZABRW-UHFFFAOYSA-N -1 0 374.401 -0.170 20 0 FBADRM Cc1cc(C(=O)NCCSCC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000738332109 837789595 /nfs/dbraw/zinc/78/95/95/837789595.db2.gz FRUHPTSTHQVFJA-UHFFFAOYSA-N -1 0 366.399 -0.512 20 0 FBADRM Cc1cc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000738333102 600380232 /nfs/dbraw/zinc/38/02/32/600380232.db2.gz PBYPABBSFKMXKH-KRWDZBQOSA-N -1 0 360.370 -0.076 20 0 FBADRM Cc1cc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000738333103 600380185 /nfs/dbraw/zinc/38/01/85/600380185.db2.gz PBYPABBSFKMXKH-QGZVFWFLSA-N -1 0 360.370 -0.076 20 0 FBADRM Cc1cnn(C[C@H]2CN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CCO2)c1 ZINC000738334171 600434753 /nfs/dbraw/zinc/43/47/53/600434753.db2.gz MULQYVYSQXSBGI-AWEZNQCLSA-N -1 0 372.447 -0.066 20 0 FBADRM Cc1cnn(C[C@@H]2CN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CCO2)c1 ZINC000738334172 600434912 /nfs/dbraw/zinc/43/49/12/600434912.db2.gz MULQYVYSQXSBGI-CQSZACIVSA-N -1 0 372.447 -0.066 20 0 FBADRM Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000738337015 599941248 /nfs/dbraw/zinc/94/12/48/599941248.db2.gz XHIMZZHWCVIQCT-CYBMUJFWSA-N -1 0 358.354 -0.005 20 0 FBADRM Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000738337018 599941194 /nfs/dbraw/zinc/94/11/94/599941194.db2.gz XHIMZZHWCVIQCT-ZDUSSCGKSA-N -1 0 358.354 -0.005 20 0 FBADRM O=S(=O)([N-]c1cnn(CCO)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000738339274 598844141 /nfs/dbraw/zinc/84/41/41/598844141.db2.gz LHSZYDUYYGUPIA-UHFFFAOYSA-N -1 0 353.339 -0.005 20 0 FBADRM Cc1[nH]nc(S(=O)(=O)N2CCN(Cc3nccn3C)CC2)c1C(=O)[O-] ZINC000738339300 600342920 /nfs/dbraw/zinc/34/29/20/600342920.db2.gz YUPLHDBTEHYXRB-UHFFFAOYSA-N -1 0 368.419 -0.344 20 0 FBADRM Cc1[nH]nc(S(=O)(=O)N2CCN(c3cccnn3)CC2)c1C(=O)[O-] ZINC000738339446 600342246 /nfs/dbraw/zinc/34/22/46/600342246.db2.gz ZRSKLLXEZSKNNO-UHFFFAOYSA-N -1 0 352.376 -0.283 20 0 FBADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NCCCN1C(=O)CNC1=O ZINC000738347977 599869276 /nfs/dbraw/zinc/86/92/76/599869276.db2.gz VELFYFJOGQKIRS-UHFFFAOYSA-N -1 0 355.372 -0.087 20 0 FBADRM Cc1nc(CN2CCN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CC2)no1 ZINC000738353389 600796977 /nfs/dbraw/zinc/79/69/77/600796977.db2.gz OWJVXAGTUHIOHU-UHFFFAOYSA-N -1 0 373.435 -0.463 20 0 FBADRM Cc1nc(CN2CCN(CC(=O)N3CCC(C(=O)[O-])CC3)CC2)no1 ZINC000738354870 600443010 /nfs/dbraw/zinc/44/30/10/600443010.db2.gz YWFCMGMJBCLJFA-UHFFFAOYSA-N -1 0 351.407 -0.181 20 0 FBADRM Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N[C@H](CO)C(=O)[O-])c1C ZINC000738356391 599743869 /nfs/dbraw/zinc/74/38/69/599743869.db2.gz ZKMLZUWCHHQTRK-GFCCVEGCSA-N -1 0 358.416 -0.240 20 0 FBADRM Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N[C@@H](CO)C(=O)[O-])c1C ZINC000738356393 599743732 /nfs/dbraw/zinc/74/37/32/599743732.db2.gz ZKMLZUWCHHQTRK-LBPRGKRZSA-N -1 0 358.416 -0.240 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)CCNC(=O)[O-])CC2)cs1 ZINC000738363149 602295558 /nfs/dbraw/zinc/29/55/58/602295558.db2.gz DXMSATJGBAFSHZ-UHFFFAOYSA-N -1 0 362.433 -0.058 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC(CC(=O)[O-])CC2)cn1C ZINC000738363468 599740091 /nfs/dbraw/zinc/74/00/91/599740091.db2.gz IBJKNOCWAHUSLQ-UHFFFAOYSA-N -1 0 358.420 -0.280 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC(N(C)C(=O)[O-])CC2)cn1C ZINC000738363471 602522416 /nfs/dbraw/zinc/52/24/16/602522416.db2.gz IFIHBYBOCRYKLX-UHFFFAOYSA-N -1 0 373.435 -0.392 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(C(=O)[O-])CC1 ZINC000738375001 602833389 /nfs/dbraw/zinc/83/33/89/602833389.db2.gz FIDJWHUIKGUVNI-JTQLQIEISA-N -1 0 373.435 -0.474 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN(C(=O)[O-])CC1 ZINC000738375003 602833602 /nfs/dbraw/zinc/83/36/02/602833602.db2.gz FIDJWHUIKGUVNI-SNVBAGLBSA-N -1 0 373.435 -0.474 20 0 FBADRM Cc1cc(C)n2nc(C(=O)N(CCN3CCOCC3)CC(=O)[O-])nc2n1 ZINC000738377475 600172058 /nfs/dbraw/zinc/17/20/58/600172058.db2.gz VHWAOSUSNJQGLQ-UHFFFAOYSA-N -1 0 362.390 -0.400 20 0 FBADRM Cc1cc(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)oc1C(=O)[O-] ZINC000738388602 600215744 /nfs/dbraw/zinc/21/57/44/600215744.db2.gz KENMLSWSLDRIHP-CHWSQXEVSA-N -1 0 358.416 -0.126 20 0 FBADRM Cc1cc(CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)oc1C(=O)[O-] ZINC000738388603 600215769 /nfs/dbraw/zinc/21/57/69/600215769.db2.gz KENMLSWSLDRIHP-OLZOCXBDSA-N -1 0 358.416 -0.126 20 0 FBADRM Cc1cc(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)oc1C(=O)[O-] ZINC000738388604 600215951 /nfs/dbraw/zinc/21/59/51/600215951.db2.gz KENMLSWSLDRIHP-QWHCGFSZSA-N -1 0 358.416 -0.126 20 0 FBADRM Cc1cc(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)oc1C(=O)[O-] ZINC000738388605 600216082 /nfs/dbraw/zinc/21/60/82/600216082.db2.gz KENMLSWSLDRIHP-STQMWFEESA-N -1 0 358.416 -0.126 20 0 FBADRM Cc1sc(NC(=O)C(=O)NCCCS(N)(=O)=O)c(C(=O)[O-])c1C ZINC000738395323 600897270 /nfs/dbraw/zinc/89/72/70/600897270.db2.gz APKUBFRRPRVPNW-UHFFFAOYSA-N -1 0 363.417 -0.204 20 0 FBADRM Cc1sc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)c(C(=O)[O-])c1C ZINC000738395374 600892638 /nfs/dbraw/zinc/89/26/38/600892638.db2.gz BXDHAGMIRMCSMQ-UHFFFAOYSA-N -1 0 368.371 -0.330 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N(CC(=O)[O-])C3CC3)cnc21 ZINC000738397931 601402873 /nfs/dbraw/zinc/40/28/73/601402873.db2.gz GSPILCCQIWAVKD-UHFFFAOYSA-N -1 0 354.344 -0.728 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N(CCC(=O)[O-])C3CC3)cnc21 ZINC000738398042 660543917 /nfs/dbraw/zinc/54/39/17/660543917.db2.gz IKOHFDVFQPEBPY-UHFFFAOYSA-N -1 0 368.371 -0.338 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCC(C(=O)[O-])CC3)cnc21 ZINC000738398078 599762079 /nfs/dbraw/zinc/76/20/79/599762079.db2.gz IXSYDOYGWNYURG-UHFFFAOYSA-N -1 0 368.371 -0.481 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCN(C(=O)[O-])CC3)cnc21 ZINC000738399094 602162803 /nfs/dbraw/zinc/16/28/03/602162803.db2.gz RJZBUDMUKCOEAY-UHFFFAOYSA-N -1 0 369.359 -0.982 20 0 FBADRM Cn1c2ncn(CC(=O)N(CC(=O)[O-])c3ccccc3)c2c(=O)n(C)c1=O ZINC000738399406 597123835 /nfs/dbraw/zinc/12/38/35/597123835.db2.gz YEYXUHBAUNSJDU-UHFFFAOYSA-N -1 0 371.353 -0.449 20 0 FBADRM Cn1cc(CN2CCN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CC2)cn1 ZINC000738404825 599978263 /nfs/dbraw/zinc/97/82/63/599978263.db2.gz DRPXKPFHBIKOKC-UHFFFAOYSA-N -1 0 371.463 -0.421 20 0 FBADRM Cc1cc(N2CCN(CC(=O)NC(C)C)CC2)n2nc(C(=O)[O-])nc2n1 ZINC000738405319 600075104 /nfs/dbraw/zinc/07/51/04/600075104.db2.gz HMEPJADXHOEAGP-UHFFFAOYSA-N -1 0 361.406 -0.222 20 0 FBADRM Cc1cc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n2nc(C(=O)[O-])nc2n1 ZINC000738405368 600074543 /nfs/dbraw/zinc/07/45/43/600074543.db2.gz JVTJRECTLHMXFB-LLVKDONJSA-N -1 0 360.374 -0.041 20 0 FBADRM Cc1cc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n2nc(C(=O)[O-])nc2n1 ZINC000738405370 600074756 /nfs/dbraw/zinc/07/47/56/600074756.db2.gz JVTJRECTLHMXFB-NSHDSACASA-N -1 0 360.374 -0.041 20 0 FBADRM Cn1cc(C(=O)OCC(=O)Nc2ccccc2C(=O)[O-])c(=O)n(C)c1=O ZINC000738405881 600267123 /nfs/dbraw/zinc/26/71/23/600267123.db2.gz PPJCMXBZLOCBGM-UHFFFAOYSA-N -1 0 361.310 -0.422 20 0 FBADRM Cn1cc(/C=C\C(=O)NCc2nc(C(=O)[O-])cs2)c(=O)n(C)c1=O ZINC000738406383 660543884 /nfs/dbraw/zinc/54/38/84/660543884.db2.gz RGELTHGDTQZNHM-ARJAWSKDSA-N -1 0 350.356 -0.432 20 0 FBADRM Cn1cc(/C=C/C(=O)NCc2nc(C(=O)[O-])cs2)c(=O)n(C)c1=O ZINC000738406392 660543845 /nfs/dbraw/zinc/54/38/45/660543845.db2.gz RGELTHGDTQZNHM-ONEGZZNKSA-N -1 0 350.356 -0.432 20 0 FBADRM Cn1cc(C(=O)OCC(=O)Nc2ccc(C(=O)[O-])cc2)c(=O)n(C)c1=O ZINC000738406578 600267166 /nfs/dbraw/zinc/26/71/66/600267166.db2.gz UTWRAKNYYQBJGD-UHFFFAOYSA-N -1 0 361.310 -0.422 20 0 FBADRM Cc1cc(N2CCC(N(C)S(C)(=O)=O)CC2)n2nc(C(=O)[O-])nc2n1 ZINC000738407574 600432483 /nfs/dbraw/zinc/43/24/83/600432483.db2.gz IRAKLFMMGUUFRQ-UHFFFAOYSA-N -1 0 368.419 -0.009 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1-n1cnnn1 ZINC000738407866 600055794 /nfs/dbraw/zinc/05/57/94/600055794.db2.gz QJEURNZZTLSWNL-GFCCVEGCSA-N -1 0 360.330 -0.779 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1-n1cnnn1 ZINC000738407868 600055765 /nfs/dbraw/zinc/05/57/65/600055765.db2.gz QJEURNZZTLSWNL-LBPRGKRZSA-N -1 0 360.330 -0.779 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)ccc1C(=O)[O-] ZINC000738407937 600272298 /nfs/dbraw/zinc/27/22/98/600272298.db2.gz RHHKIDPQGGLVBR-LLVKDONJSA-N -1 0 369.399 -0.218 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)ccc1C(=O)[O-] ZINC000738407940 600272384 /nfs/dbraw/zinc/27/23/84/600272384.db2.gz RHHKIDPQGGLVBR-NSHDSACASA-N -1 0 369.399 -0.218 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1C(=O)N(C)C ZINC000738408553 600752395 /nfs/dbraw/zinc/75/23/95/600752395.db2.gz WNUCZSMRNZWBET-CYBMUJFWSA-N -1 0 363.370 -0.053 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1C(=O)N(C)C ZINC000738408560 600752587 /nfs/dbraw/zinc/75/25/87/600752587.db2.gz WNUCZSMRNZWBET-ZDUSSCGKSA-N -1 0 363.370 -0.053 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)N3CCCN(C(=O)[O-])CC3)C2=O)cn1 ZINC000738409915 603048892 /nfs/dbraw/zinc/04/88/92/603048892.db2.gz AFNWUXNMLLULCE-GFCCVEGCSA-N -1 0 350.379 -0.079 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)N3CCCN(C(=O)[O-])CC3)C2=O)cn1 ZINC000738409917 603048815 /nfs/dbraw/zinc/04/88/15/603048815.db2.gz AFNWUXNMLLULCE-LBPRGKRZSA-N -1 0 350.379 -0.079 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)NC3CCN(C(=O)[O-])CC3)C2=O)cn1 ZINC000738409987 603025167 /nfs/dbraw/zinc/02/51/67/603025167.db2.gz BMCNEYPSGQMQEW-GFCCVEGCSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)NC3CCN(C(=O)[O-])CC3)C2=O)cn1 ZINC000738409989 603025159 /nfs/dbraw/zinc/02/51/59/603025159.db2.gz BMCNEYPSGQMQEW-LBPRGKRZSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1ccnc1CN1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000738410266 599978206 /nfs/dbraw/zinc/97/82/06/599978206.db2.gz GNDILBKCXSZODW-UHFFFAOYSA-N -1 0 371.463 -0.421 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cn1 ZINC000738410706 601073970 /nfs/dbraw/zinc/07/39/70/601073970.db2.gz KAINJUPUAZNQRW-CYBMUJFWSA-N -1 0 366.399 -0.317 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)NC[C@H](C(=O)[O-])c2ccccc2)cn1 ZINC000738410708 601073704 /nfs/dbraw/zinc/07/37/04/601073704.db2.gz KAINJUPUAZNQRW-ZDUSSCGKSA-N -1 0 366.399 -0.317 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(C(=O)[O-])cc3)C2=O)cn1 ZINC000738411164 600472005 /nfs/dbraw/zinc/47/20/05/600472005.db2.gz MOJHWGVVSVRSAR-CYBMUJFWSA-N -1 0 371.353 -0.022 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)C(=O)Nc3ccc(C(=O)[O-])cc3)C2=O)cn1 ZINC000738411167 600472076 /nfs/dbraw/zinc/47/20/76/600472076.db2.gz MOJHWGVVSVRSAR-ZDUSSCGKSA-N -1 0 371.353 -0.022 20 0 FBADRM Cc1cc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)ccc1C(=O)[O-] ZINC000738411463 600043800 /nfs/dbraw/zinc/04/38/00/600043800.db2.gz SDQUYMNPQUIKSQ-UHFFFAOYSA-N -1 0 363.370 -0.003 20 0 FBADRM Cn1cc(N2CC[C@@H](NS(=O)(=O)N3CCC(C(=O)[O-])CC3)C2=O)cn1 ZINC000738411522 600415613 /nfs/dbraw/zinc/41/56/13/600415613.db2.gz PUOKROZTIYBJMY-GFCCVEGCSA-N -1 0 371.419 -0.844 20 0 FBADRM Cn1cc(N2CC[C@H](NS(=O)(=O)N3CCC(C(=O)[O-])CC3)C2=O)cn1 ZINC000738411524 600415502 /nfs/dbraw/zinc/41/55/02/600415502.db2.gz PUOKROZTIYBJMY-LBPRGKRZSA-N -1 0 371.419 -0.844 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)N3CCC[C@H](NC(=O)[O-])C3)C2=O)cn1 ZINC000738411752 603048751 /nfs/dbraw/zinc/04/87/51/603048751.db2.gz SWVRVSOZGZHOOQ-CMPLNLGQSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)N3CCC[C@H](NC(=O)[O-])C3)C2=O)cn1 ZINC000738411756 603048871 /nfs/dbraw/zinc/04/88/71/603048871.db2.gz SWVRVSOZGZHOOQ-JQWIXIFHSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)N3CCC[C@@H](NC(=O)[O-])C3)C2=O)cn1 ZINC000738411759 603048947 /nfs/dbraw/zinc/04/89/47/603048947.db2.gz SWVRVSOZGZHOOQ-PWSUYJOCSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)N3CCC[C@@H](NC(=O)[O-])C3)C2=O)cn1 ZINC000738411762 603048712 /nfs/dbraw/zinc/04/87/12/603048712.db2.gz SWVRVSOZGZHOOQ-ZYHUDNBSSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1ccnc1[C@@](O)(CC(=O)N1CCO[C@@H](C(=O)[O-])C1)C(F)(F)F ZINC000738411853 599939879 /nfs/dbraw/zinc/93/98/79/599939879.db2.gz UGXZAXNXXUHXNA-PELKAZGASA-N -1 0 351.281 -0.128 20 0 FBADRM Cn1ccnc1[C@](O)(CC(=O)N1CCO[C@@H](C(=O)[O-])C1)C(F)(F)F ZINC000738411855 599939945 /nfs/dbraw/zinc/93/99/45/599939945.db2.gz UGXZAXNXXUHXNA-PRHODGIISA-N -1 0 351.281 -0.128 20 0 FBADRM Cn1ccnc1[C@](O)(CC(=O)N1CCO[C@H](C(=O)[O-])C1)C(F)(F)F ZINC000738411857 599940047 /nfs/dbraw/zinc/94/00/47/599940047.db2.gz UGXZAXNXXUHXNA-QPUJVOFHSA-N -1 0 351.281 -0.128 20 0 FBADRM Cn1ccnc1[C@@](O)(CC(=O)N1CCO[C@H](C(=O)[O-])C1)C(F)(F)F ZINC000738411859 599939899 /nfs/dbraw/zinc/93/98/99/599939899.db2.gz UGXZAXNXXUHXNA-UFBFGSQYSA-N -1 0 351.281 -0.128 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)CCNC(=O)[O-])CC2)cn1 ZINC000738412301 603011283 /nfs/dbraw/zinc/01/12/83/603011283.db2.gz WLEJCEVSBRSWKN-UHFFFAOYSA-N -1 0 359.408 -0.653 20 0 FBADRM Cn1cc(S(=O)(=O)Oc2ccc(NC(=O)[O-])cc2)c(=O)n(C)c1=O ZINC000738412341 603125301 /nfs/dbraw/zinc/12/53/01/603125301.db2.gz XPDRZCAQFSLYPD-UHFFFAOYSA-N -1 0 355.328 -0.058 20 0 FBADRM Cc1cc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)ccc1C(=O)[O-] ZINC000738414751 599883084 /nfs/dbraw/zinc/88/30/84/599883084.db2.gz CQEXLUUJWFSBAR-UHFFFAOYSA-N -1 0 362.342 -0.310 20 0 FBADRM Cc1cc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)ccc1C(=O)[O-] ZINC000738414796 600050086 /nfs/dbraw/zinc/05/00/86/600050086.db2.gz FYOBZXXKMJNAJO-UHFFFAOYSA-N -1 0 369.399 -0.217 20 0 FBADRM Cc1cc(NC(=O)C(=O)NCCCNS(C)(=O)=O)ccc1C(=O)[O-] ZINC000738415274 600045348 /nfs/dbraw/zinc/04/53/48/600045348.db2.gz IWRCVNLCKZNTQU-UHFFFAOYSA-N -1 0 357.388 -0.313 20 0 FBADRM Cc1cc(NC(=O)C(=O)NCCSCC(=O)[O-])ccc1-n1cnnn1 ZINC000738416113 599910175 /nfs/dbraw/zinc/91/01/75/599910175.db2.gz QBTGXBSSGJYSJK-UHFFFAOYSA-N -1 0 364.387 -0.157 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N2CCN(C(=O)[O-])CC2)c1 ZINC000738416353 603105954 /nfs/dbraw/zinc/10/59/54/603105954.db2.gz PQRVGPNIIPWYJY-UHFFFAOYSA-N -1 0 352.376 -0.139 20 0 FBADRM Cn1ncc2c1ncnc2N1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000738417203 600492448 /nfs/dbraw/zinc/49/24/48/600492448.db2.gz XJSZBYUYENSLGH-UHFFFAOYSA-N -1 0 368.419 -0.320 20 0 FBADRM Cn1nc(Br)c2c1ncn(CC(=O)NC(C)(C)C(=O)[O-])c2=O ZINC000738418033 600008196 /nfs/dbraw/zinc/00/81/96/600008196.db2.gz GSCRVGWYAQONPA-UHFFFAOYSA-N -1 0 372.179 -0.128 20 0 FBADRM Cn1nc(Br)c2c1ncn(CC(=O)NCCCC(=O)[O-])c2=O ZINC000738419711 600010260 /nfs/dbraw/zinc/01/02/60/600010260.db2.gz UBRJQDIDQXDZFZ-UHFFFAOYSA-N -1 0 372.179 -0.127 20 0 FBADRM Cn1nc(Br)c2c1ncn(CC(=O)NCCC(=O)[O-])c2=O ZINC000738419716 600010180 /nfs/dbraw/zinc/01/01/80/600010180.db2.gz UINNJLUJXCNXKJ-UHFFFAOYSA-N -1 0 358.152 -0.517 20 0 FBADRM Cc1cc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c(C(=O)[O-])[nH]1 ZINC000738423557 600253768 /nfs/dbraw/zinc/25/37/68/600253768.db2.gz XQHHLAKMMYHTED-NXEZZACHSA-N -1 0 369.399 -0.005 20 0 FBADRM Cc1cc(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c(C(=O)[O-])[nH]1 ZINC000738423558 600253979 /nfs/dbraw/zinc/25/39/79/600253979.db2.gz XQHHLAKMMYHTED-UWVGGRQHSA-N -1 0 369.399 -0.005 20 0 FBADRM Cc1cc(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c(C(=O)[O-])[nH]1 ZINC000738423559 600253760 /nfs/dbraw/zinc/25/37/60/600253760.db2.gz XQHHLAKMMYHTED-VHSXEESVSA-N -1 0 369.399 -0.005 20 0 FBADRM Cc1cc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c(C(=O)[O-])[nH]1 ZINC000738423560 600253878 /nfs/dbraw/zinc/25/38/78/600253878.db2.gz XQHHLAKMMYHTED-ZJUUUORDSA-N -1 0 369.399 -0.005 20 0 FBADRM Cc1cc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c(C(=O)[O-])[nH]1 ZINC000738428262 600253712 /nfs/dbraw/zinc/25/37/12/600253712.db2.gz PHOBRXQDCXRQGV-UHFFFAOYSA-N -1 0 374.357 -0.203 20 0 FBADRM Cc1cc(NC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)c(C(=O)[O-])[nH]1 ZINC000738430301 600256100 /nfs/dbraw/zinc/25/61/00/600256100.db2.gz PUTXYFWQYLJHAN-UHFFFAOYSA-N -1 0 355.376 -0.020 20 0 FBADRM NC(=O)[C@H]1CC(C(=O)N2CCO[C@@H](C(=O)[O-])C2)=NN1c1ccc(F)cc1 ZINC000738435155 599942501 /nfs/dbraw/zinc/94/25/01/599942501.db2.gz BXFCEIBNNNVDKO-CHWSQXEVSA-N -1 0 364.333 -0.442 20 0 FBADRM NC(=O)[C@H]1CC(C(=O)N2CCO[C@H](C(=O)[O-])C2)=NN1c1ccc(F)cc1 ZINC000738435160 599942697 /nfs/dbraw/zinc/94/26/97/599942697.db2.gz BXFCEIBNNNVDKO-OLZOCXBDSA-N -1 0 364.333 -0.442 20 0 FBADRM NC(=O)[C@@H]1CC(C(=O)N2CCO[C@@H](C(=O)[O-])C2)=NN1c1ccc(F)cc1 ZINC000738435163 599942712 /nfs/dbraw/zinc/94/27/12/599942712.db2.gz BXFCEIBNNNVDKO-QWHCGFSZSA-N -1 0 364.333 -0.442 20 0 FBADRM NC(=O)[C@@H]1CC(C(=O)N2CCO[C@H](C(=O)[O-])C2)=NN1c1ccc(F)cc1 ZINC000738435167 599942699 /nfs/dbraw/zinc/94/26/99/599942699.db2.gz BXFCEIBNNNVDKO-STQMWFEESA-N -1 0 364.333 -0.442 20 0 FBADRM NC(=O)C1CCN(c2ccc(NC(=O)C(=O)NCCC(=O)[O-])cc2)CC1 ZINC000738436721 597253256 /nfs/dbraw/zinc/25/32/56/597253256.db2.gz JPWLQAZESXAFDL-UHFFFAOYSA-N -1 0 362.386 -0.082 20 0 FBADRM Cc1cc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c(C(=O)[O-])[nH]1 ZINC000738437363 600124734 /nfs/dbraw/zinc/12/47/34/600124734.db2.gz FZIWHBIBBOFFRE-UHFFFAOYSA-N -1 0 360.330 -0.593 20 0 FBADRM Cc1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C(=O)[O-])[nH]1 ZINC000738437861 600255257 /nfs/dbraw/zinc/25/52/57/600255257.db2.gz KBCQPFPRMPUECX-UHFFFAOYSA-N -1 0 360.330 -0.593 20 0 FBADRM NC(=O)C1(CNC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CCOCC1 ZINC000738438410 597245666 /nfs/dbraw/zinc/24/56/66/597245666.db2.gz WILTXYMAXUXUNZ-UHFFFAOYSA-N -1 0 363.370 -0.350 20 0 FBADRM NC(=O)CSc1ccccc1NC(=O)CN1CCO[C@@H](C(=O)[O-])C1 ZINC000738438678 599975274 /nfs/dbraw/zinc/97/52/74/599975274.db2.gz CQBOLXOHGSZBEF-LLVKDONJSA-N -1 0 353.400 -0.012 20 0 FBADRM NC(=O)CSc1ccccc1NC(=O)CN1CCO[C@H](C(=O)[O-])C1 ZINC000738438679 599975263 /nfs/dbraw/zinc/97/52/63/599975263.db2.gz CQBOLXOHGSZBEF-NSHDSACASA-N -1 0 353.400 -0.012 20 0 FBADRM NC(=O)CCN(C(=O)CN1CCO[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000738440641 599972804 /nfs/dbraw/zinc/97/28/04/599972804.db2.gz AKUQJRKJZNBYMW-CYBMUJFWSA-N -1 0 353.350 -0.181 20 0 FBADRM NC(=O)CCN(C(=O)CN1CCO[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000738440646 599972864 /nfs/dbraw/zinc/97/28/64/599972864.db2.gz AKUQJRKJZNBYMW-ZDUSSCGKSA-N -1 0 353.350 -0.181 20 0 FBADRM NC(=O)CN1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CC1 ZINC000738441978 599763931 /nfs/dbraw/zinc/76/39/31/599763931.db2.gz UVZPKOPCWSMVPY-UHFFFAOYSA-N -1 0 366.443 -0.024 20 0 FBADRM NC(=O)c1ccc(N2CCN(S(=O)(=O)CCCC(=O)[O-])CC2)nc1 ZINC000738443042 600493700 /nfs/dbraw/zinc/49/37/00/600493700.db2.gz OJHWPZNZQUWLKE-UHFFFAOYSA-N -1 0 356.404 -0.503 20 0 FBADRM NC(=O)c1ccc(-c2nnn(CC(=O)N3CCC(C(=O)[O-])CC3)n2)cc1 ZINC000738443333 600090950 /nfs/dbraw/zinc/09/09/50/600090950.db2.gz ONKOXEANCBWIAF-UHFFFAOYSA-N -1 0 358.358 -0.238 20 0 FBADRM NC(=O)C1CCN(c2ccccc2NC(=O)C(=O)NCCC(=O)[O-])CC1 ZINC000738444111 597255762 /nfs/dbraw/zinc/25/57/62/597255762.db2.gz PAMPYZAJUMCIOT-UHFFFAOYSA-N -1 0 362.386 -0.082 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000738444434 601083779 /nfs/dbraw/zinc/08/37/79/601083779.db2.gz GTHCLKUXDVEONL-CYBMUJFWSA-N -1 0 355.416 -0.114 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000738444435 601083785 /nfs/dbraw/zinc/08/37/85/601083785.db2.gz GTHCLKUXDVEONL-ZDUSSCGKSA-N -1 0 355.416 -0.114 20 0 FBADRM NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000738444455 601345322 /nfs/dbraw/zinc/34/53/22/601345322.db2.gz HIOBMVNVDQAGMP-MRVPVSSYSA-N -1 0 373.362 -0.265 20 0 FBADRM NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000738444457 601345193 /nfs/dbraw/zinc/34/51/93/601345193.db2.gz HIOBMVNVDQAGMP-QMMMGPOBSA-N -1 0 373.362 -0.265 20 0 FBADRM NC(=O)CCn1c(C2CC2)nn(CN2CCO[C@H](C(=O)[O-])C2)c1=S ZINC000738444458 599955791 /nfs/dbraw/zinc/95/57/91/599955791.db2.gz ROJDXACPJOUBCW-JTQLQIEISA-N -1 0 355.420 -0.090 20 0 FBADRM NC(=O)CCn1c(C2CC2)nn(CN2CCO[C@@H](C(=O)[O-])C2)c1=S ZINC000738444459 599955749 /nfs/dbraw/zinc/95/57/49/599955749.db2.gz ROJDXACPJOUBCW-SNVBAGLBSA-N -1 0 355.420 -0.090 20 0 FBADRM NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000738444486 601340965 /nfs/dbraw/zinc/34/09/65/601340965.db2.gz HMAYEJJKAKBUKS-UHFFFAOYSA-N -1 0 373.362 -0.265 20 0 FBADRM NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CCN(C(=O)[O-])CC2)c1 ZINC000738444639 603390774 /nfs/dbraw/zinc/39/07/74/603390774.db2.gz IVBSVPVLXJTVDO-UHFFFAOYSA-N -1 0 374.350 -0.766 20 0 FBADRM NS(=O)(=O)NC[C@H]1CCCN(CC(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000738444669 600168898 /nfs/dbraw/zinc/16/88/98/600168898.db2.gz KAXDIQWVBIMBSS-LLVKDONJSA-N -1 0 370.431 -0.172 20 0 FBADRM NS(=O)(=O)NC[C@@H]1CCCN(CC(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000738444671 600168920 /nfs/dbraw/zinc/16/89/20/600168920.db2.gz KAXDIQWVBIMBSS-NSHDSACASA-N -1 0 370.431 -0.172 20 0 FBADRM NS(=O)(=O)NC[C@H]1CCCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000738444682 599962957 /nfs/dbraw/zinc/96/29/57/599962957.db2.gz KHMLUOADNDANJW-LLVKDONJSA-N -1 0 370.431 -0.172 20 0 FBADRM NS(=O)(=O)NC[C@@H]1CCCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000738444684 599962996 /nfs/dbraw/zinc/96/29/96/599962996.db2.gz KHMLUOADNDANJW-NSHDSACASA-N -1 0 370.431 -0.172 20 0 FBADRM NC(=O)CCNC(=O)c1cccc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000738444817 600233812 /nfs/dbraw/zinc/23/38/12/600233812.db2.gz VDUHYHHTPOZPDQ-GFCCVEGCSA-N -1 0 364.358 -0.391 20 0 FBADRM NC(=O)CCNC(=O)c1cccc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000738444819 600234320 /nfs/dbraw/zinc/23/43/20/600234320.db2.gz VDUHYHHTPOZPDQ-LBPRGKRZSA-N -1 0 364.358 -0.391 20 0 FBADRM NS(=O)(=O)CCCNC(=O)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000738445334 600339374 /nfs/dbraw/zinc/33/93/74/600339374.db2.gz RNIHLGIUKYNQHL-UHFFFAOYSA-N -1 0 363.779 -0.229 20 0 FBADRM NS(=O)(=O)c1ccc(OCCC(=O)N2CCN(C(=O)[O-])CC2)cc1 ZINC000738446121 602230545 /nfs/dbraw/zinc/23/05/45/602230545.db2.gz BGIBGQWQVOJUQG-UHFFFAOYSA-N -1 0 357.388 -0.075 20 0 FBADRM NS(=O)(=O)c1ccc(F)c(CNS(=O)(=O)CCCC(=O)[O-])c1 ZINC000738446129 600501126 /nfs/dbraw/zinc/50/11/26/600501126.db2.gz BLGSIRTURKJEIV-UHFFFAOYSA-N -1 0 354.381 -0.243 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)[O-])CC2)c1 ZINC000738446156 603390707 /nfs/dbraw/zinc/39/07/07/603390707.db2.gz CIKDWOQBECQDNG-UHFFFAOYSA-N -1 0 356.360 -0.905 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(CC(=O)[O-])CC2)c1 ZINC000738446181 600313651 /nfs/dbraw/zinc/31/36/51/600313651.db2.gz DCAQUKGTSQROAC-UHFFFAOYSA-N -1 0 369.399 -0.014 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000738446506 601077158 /nfs/dbraw/zinc/07/71/58/601077158.db2.gz HJPAJVDXUUHJDM-CYBMUJFWSA-N -1 0 366.399 -0.095 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000738446507 601077496 /nfs/dbraw/zinc/07/74/96/601077496.db2.gz HJPAJVDXUUHJDM-ZDUSSCGKSA-N -1 0 366.399 -0.095 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000738446516 601344320 /nfs/dbraw/zinc/34/43/20/601344320.db2.gz IBCBHDHTOIJXQT-SECBINFHSA-N -1 0 355.372 -0.404 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000738446517 601344474 /nfs/dbraw/zinc/34/44/74/601344474.db2.gz IBCBHDHTOIJXQT-VIFPVBQESA-N -1 0 355.372 -0.404 20 0 FBADRM NS(=O)(=O)c1ccc(CNC(=S)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000738446540 599891727 /nfs/dbraw/zinc/89/17/27/599891727.db2.gz JLASMNKRYGZWJM-LLVKDONJSA-N -1 0 359.429 -0.506 20 0 FBADRM NS(=O)(=O)c1ccc(CNC(=S)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000738446541 599891917 /nfs/dbraw/zinc/89/19/17/599891917.db2.gz JLASMNKRYGZWJM-NSHDSACASA-N -1 0 359.429 -0.506 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000738446584 601341044 /nfs/dbraw/zinc/34/10/44/601341044.db2.gz LBNHGXGCNIDHMT-UHFFFAOYSA-N -1 0 355.372 -0.404 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)N2CCN(CCCCC(=O)[O-])CC2)o1 ZINC000738446612 597792471 /nfs/dbraw/zinc/79/24/71/597792471.db2.gz AOMUUQQQVWIYHF-UHFFFAOYSA-N -1 0 359.404 -0.060 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCO[C@@H](C(=O)[O-])C1 ZINC000738446677 599972838 /nfs/dbraw/zinc/97/28/38/599972838.db2.gz MZFBCWQTMMROPU-CYBMUJFWSA-N -1 0 369.399 -0.992 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCO[C@H](C(=O)[O-])C1 ZINC000738446680 599972872 /nfs/dbraw/zinc/97/28/72/599972872.db2.gz MZFBCWQTMMROPU-ZDUSSCGKSA-N -1 0 369.399 -0.992 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)CCN2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000738446682 599971605 /nfs/dbraw/zinc/97/16/05/599971605.db2.gz NBHLQNAHKNGXFU-GFCCVEGCSA-N -1 0 357.388 -0.552 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)CCN2CCO[C@H](C(=O)[O-])C2)c1 ZINC000738446684 599971853 /nfs/dbraw/zinc/97/18/53/599971853.db2.gz NBHLQNAHKNGXFU-LBPRGKRZSA-N -1 0 357.388 -0.552 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCCN(C(=O)[O-])CC2)c1 ZINC000738446866 603396352 /nfs/dbraw/zinc/39/63/52/603396352.db2.gz SKWQLHOJPFNNAA-UHFFFAOYSA-N -1 0 370.387 -0.515 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](NC(=O)[O-])C2)c1 ZINC000738446907 603398105 /nfs/dbraw/zinc/39/81/05/603398105.db2.gz UBOKASGQQUPWPA-JTQLQIEISA-N -1 0 370.387 -0.469 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](NC(=O)[O-])C2)c1 ZINC000738446909 603398181 /nfs/dbraw/zinc/39/81/81/603398181.db2.gz UBOKASGQQUPWPA-SNVBAGLBSA-N -1 0 370.387 -0.469 20 0 FBADRM NS(=O)(=O)c1ccc(F)c(CNC(=O)N2CCN(C(=O)[O-])CC2)c1 ZINC000738446956 602839157 /nfs/dbraw/zinc/83/91/57/602839157.db2.gz VDMODCAXRRKBFI-UHFFFAOYSA-N -1 0 360.367 -0.022 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000738447144 600438525 /nfs/dbraw/zinc/43/85/25/600438525.db2.gz LFQYQPLQOFHZQM-BXUZGUMPSA-N -1 0 362.386 -0.141 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000738447145 600438395 /nfs/dbraw/zinc/43/83/95/600438395.db2.gz LFQYQPLQOFHZQM-FZMZJTMJSA-N -1 0 362.386 -0.141 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000738447147 600438377 /nfs/dbraw/zinc/43/83/77/600438377.db2.gz LFQYQPLQOFHZQM-RISCZKNCSA-N -1 0 362.386 -0.141 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000738447149 600438510 /nfs/dbraw/zinc/43/85/10/600438510.db2.gz LFQYQPLQOFHZQM-SMDDNHRTSA-N -1 0 362.386 -0.141 20 0 FBADRM NC(=O)c1cccnc1N1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000738447357 600496877 /nfs/dbraw/zinc/49/68/77/600496877.db2.gz PWIYLGAXWAQESA-UHFFFAOYSA-N -1 0 356.404 -0.503 20 0 FBADRM NC(=O)c1cccc(CCNS(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000738447710 599859291 /nfs/dbraw/zinc/85/92/91/599859291.db2.gz WJCBCYWCGUOWEB-UHFFFAOYSA-N -1 0 355.416 -0.041 20 0 FBADRM O=C(CCN1CCO[C@@H](C(=O)[O-])C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000738455740 599972229 /nfs/dbraw/zinc/97/22/29/599972229.db2.gz FJUCTFGSIQLQCU-LLVKDONJSA-N -1 0 368.390 -0.552 20 0 FBADRM O=C(CCN1CCO[C@H](C(=O)[O-])C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000738455742 599972343 /nfs/dbraw/zinc/97/23/43/599972343.db2.gz FJUCTFGSIQLQCU-NSHDSACASA-N -1 0 368.390 -0.552 20 0 FBADRM Cc1cc(NCCCN2CCCS2(=O)=O)n2nc(C(=O)[O-])nc2n1 ZINC000738461181 599709131 /nfs/dbraw/zinc/70/91/31/599709131.db2.gz VEMJRPSNGGAKCP-UHFFFAOYSA-N -1 0 354.392 -0.032 20 0 FBADRM O=C([O-])[C@H]1CN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CCO1 ZINC000738463931 599975223 /nfs/dbraw/zinc/97/52/23/599975223.db2.gz BEVADLUXVHAUQI-GFCCVEGCSA-N -1 0 357.313 -0.195 20 0 FBADRM O=C([O-])[C@@H]1CN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CCO1 ZINC000738463932 599975326 /nfs/dbraw/zinc/97/53/26/599975326.db2.gz BEVADLUXVHAUQI-LBPRGKRZSA-N -1 0 357.313 -0.195 20 0 FBADRM O=C(CN1CCO[C@@H](C(=O)[O-])C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000738464191 599972730 /nfs/dbraw/zinc/97/27/30/599972730.db2.gz GNQYQKZSBUMJIQ-GFCCVEGCSA-N -1 0 351.315 -0.151 20 0 FBADRM O=C(CN1CCO[C@H](C(=O)[O-])C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000738464192 599972777 /nfs/dbraw/zinc/97/27/77/599972777.db2.gz GNQYQKZSBUMJIQ-LBPRGKRZSA-N -1 0 351.315 -0.151 20 0 FBADRM O=C([O-])[C@@H]1CN(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)CCO1 ZINC000738464282 599967503 /nfs/dbraw/zinc/96/75/03/599967503.db2.gz IZKPJQICNQWLEB-HNNXBMFYSA-N -1 0 361.398 -0.020 20 0 FBADRM O=C([O-])[C@H]1CN(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)CCO1 ZINC000738464519 599967723 /nfs/dbraw/zinc/96/77/23/599967723.db2.gz IZKPJQICNQWLEB-OAHLLOKOSA-N -1 0 361.398 -0.020 20 0 FBADRM O=C([O-])[C@H]1CN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CCO1 ZINC000738464578 599976758 /nfs/dbraw/zinc/97/67/58/599976758.db2.gz MHWAROKLFMKUHA-CYBMUJFWSA-N -1 0 365.342 -0.109 20 0 FBADRM O=C([O-])[C@@H]1CN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CCO1 ZINC000738464580 599976979 /nfs/dbraw/zinc/97/69/79/599976979.db2.gz MHWAROKLFMKUHA-ZDUSSCGKSA-N -1 0 365.342 -0.109 20 0 FBADRM O=C(CN1CCN(S(=O)(=O)C2CCN(C(=O)[O-])CC2)CC1)NC1CC1 ZINC000738464658 605387656 /nfs/dbraw/zinc/38/76/56/605387656.db2.gz OBECFYJRUAMHCT-UHFFFAOYSA-N -1 0 374.463 -0.645 20 0 FBADRM O=C(CN1CCO[C@H](C(=O)[O-])C1)NCCOc1ccc2c(c1)OCO2 ZINC000738465525 599967653 /nfs/dbraw/zinc/96/76/53/599967653.db2.gz XRXKTCXKYNGNCK-AWEZNQCLSA-N -1 0 352.343 -0.304 20 0 FBADRM O=C(CN1CCO[C@@H](C(=O)[O-])C1)NCCOc1ccc2c(c1)OCO2 ZINC000738465527 599967690 /nfs/dbraw/zinc/96/76/90/599967690.db2.gz XRXKTCXKYNGNCK-CQSZACIVSA-N -1 0 352.343 -0.304 20 0 FBADRM O=C([O-])C1CCN(C(=O)COC(=O)CNC(=O)c2ccc(O)cc2)CC1 ZINC000738468023 600164558 /nfs/dbraw/zinc/16/45/58/600164558.db2.gz IWEHEEJXFUDNPV-UHFFFAOYSA-N -1 0 364.354 -0.012 20 0 FBADRM O=C([O-])N1CCCN(C(=O)COCC(=O)NCc2cccnc2)CC1 ZINC000738469549 602673782 /nfs/dbraw/zinc/67/37/82/602673782.db2.gz GEMLZMYMQQMRKJ-UHFFFAOYSA-N -1 0 350.375 -0.073 20 0 FBADRM O=C([O-])N1CCC(NC(=O)COCC(=O)NCc2cccnc2)CC1 ZINC000738471414 602167071 /nfs/dbraw/zinc/16/70/71/602167071.db2.gz RWZLEBUONKCKMZ-UHFFFAOYSA-N -1 0 350.375 -0.027 20 0 FBADRM O=C([O-])c1ccccc1NC(=O)COC(=O)Cn1ncn2nccc2c1=O ZINC000738472169 600508255 /nfs/dbraw/zinc/50/82/55/600508255.db2.gz VANQOKAIJKFYQY-UHFFFAOYSA-N -1 0 371.309 -0.229 20 0 FBADRM O=C([O-])c1ccc(NC(=O)COC(=O)Cn2ncn3nccc3c2=O)cc1 ZINC000738472190 600509119 /nfs/dbraw/zinc/50/91/19/600509119.db2.gz VLLYKGNTOZAAHE-UHFFFAOYSA-N -1 0 371.309 -0.229 20 0 FBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000738472735 600469727 /nfs/dbraw/zinc/46/97/27/600469727.db2.gz AKRBXVMKKAMYJX-CYBMUJFWSA-N -1 0 365.386 -0.156 20 0 FBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000738472736 600469760 /nfs/dbraw/zinc/46/97/60/600469760.db2.gz AKRBXVMKKAMYJX-ZDUSSCGKSA-N -1 0 365.386 -0.156 20 0 FBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000738472955 600241463 /nfs/dbraw/zinc/24/14/63/600241463.db2.gz GGEJQGCBMTZQTH-JTQLQIEISA-N -1 0 372.399 -0.054 20 0 FBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N[C@H](C)CS(C)(=O)=O ZINC000738472957 600241493 /nfs/dbraw/zinc/24/14/93/600241493.db2.gz GGEJQGCBMTZQTH-SNVBAGLBSA-N -1 0 372.399 -0.054 20 0 FBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)NCCCS(N)(=O)=O ZINC000738473039 600339324 /nfs/dbraw/zinc/33/93/24/600339324.db2.gz HZFXAMIKSHTMKH-UHFFFAOYSA-N -1 0 373.387 -0.808 20 0 FBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N(C)CCS(C)(=O)=O ZINC000738473307 599823256 /nfs/dbraw/zinc/82/32/56/599823256.db2.gz MBXAAFZVCYOSNY-UHFFFAOYSA-N -1 0 372.399 -0.100 20 0 FBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N1CCS(=O)(=O)CC1 ZINC000738473515 600655262 /nfs/dbraw/zinc/65/52/62/600655262.db2.gz QYGOBOGLGMIQSO-UHFFFAOYSA-N -1 0 370.383 -0.346 20 0 FBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)NCCCS(C)(=O)=O ZINC000738473747 600339390 /nfs/dbraw/zinc/33/93/90/600339390.db2.gz TYRIKJUBJHFEOZ-UHFFFAOYSA-N -1 0 372.399 -0.052 20 0 FBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)NCCS(C)(=O)=O ZINC000738474258 600332443 /nfs/dbraw/zinc/33/24/43/600332443.db2.gz ZMFADXUVBIKKCY-UHFFFAOYSA-N -1 0 358.372 -0.442 20 0 FBADRM Cc1cc(OS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C(=O)[O-])s1 ZINC000738475134 600651983 /nfs/dbraw/zinc/65/19/83/600651983.db2.gz YWRMVALPFIOMPY-UHFFFAOYSA-N -1 0 360.369 -0.080 20 0 FBADRM Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000738478491 600457713 /nfs/dbraw/zinc/45/77/13/600457713.db2.gz VVPMZPNGABBNPB-GFCCVEGCSA-N -1 0 370.383 -0.351 20 0 FBADRM Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000738478493 600457732 /nfs/dbraw/zinc/45/77/32/600457732.db2.gz VVPMZPNGABBNPB-LBPRGKRZSA-N -1 0 370.383 -0.351 20 0 FBADRM Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1C ZINC000738481690 600309932 /nfs/dbraw/zinc/30/99/32/600309932.db2.gz KRFFTFFIUKMKQT-JTQLQIEISA-N -1 0 369.399 -0.178 20 0 FBADRM Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1C ZINC000738481693 600309883 /nfs/dbraw/zinc/30/98/83/600309883.db2.gz KRFFTFFIUKMKQT-SNVBAGLBSA-N -1 0 369.399 -0.178 20 0 FBADRM O=C([O-])N1CCC[C@H](C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000738482224 603100005 /nfs/dbraw/zinc/10/00/05/603100005.db2.gz ILXNSWIHNMNLGD-KBPBESRZSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N1CCC[C@@H](C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000738482225 603100047 /nfs/dbraw/zinc/10/00/47/603100047.db2.gz ILXNSWIHNMNLGD-KGLIPLIRSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N1CCC[C@H](C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000738482227 603100992 /nfs/dbraw/zinc/10/09/92/603100992.db2.gz ILXNSWIHNMNLGD-UONOGXRCSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000738482230 603100868 /nfs/dbraw/zinc/10/08/68/603100868.db2.gz ILXNSWIHNMNLGD-ZIAGYGMSSA-N -1 0 368.434 -0.574 20 0 FBADRM Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])c1C ZINC000738483121 600141734 /nfs/dbraw/zinc/14/17/34/600141734.db2.gz XJQSAKALQMOAGF-MFKMUULPSA-N -1 0 371.415 -0.591 20 0 FBADRM O=C([O-])N1CCC(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000738483606 603100593 /nfs/dbraw/zinc/10/05/93/603100593.db2.gz PRTYVGUTDMWXGU-AWEZNQCLSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N1CCC(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000738483609 603100488 /nfs/dbraw/zinc/10/04/88/603100488.db2.gz PRTYVGUTDMWXGU-CQSZACIVSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N1CCC(NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000738483615 602167338 /nfs/dbraw/zinc/16/73/38/602167338.db2.gz PXKHMLKZCHBDKA-GFCCVEGCSA-N -1 0 354.388 -0.025 20 0 FBADRM O=C([O-])N1CCC(NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000738483618 602166916 /nfs/dbraw/zinc/16/69/16/602166916.db2.gz PXKHMLKZCHBDKA-LBPRGKRZSA-N -1 0 354.388 -0.025 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)o1 ZINC000738484300 599771960 /nfs/dbraw/zinc/77/19/60/599771960.db2.gz TZUPZKSYEGMWCM-UHFFFAOYSA-N -1 0 371.371 -0.911 20 0 FBADRM O=C([O-])C1(CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCC1 ZINC000738488751 847929044 /nfs/dbraw/zinc/92/90/44/847929044.db2.gz RPJJUOBEVIUART-CYBMUJFWSA-N -1 0 353.419 -0.462 20 0 FBADRM O=C([O-])C1(CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCC1 ZINC000738488752 847929220 /nfs/dbraw/zinc/92/92/20/847929220.db2.gz RPJJUOBEVIUART-ZDUSSCGKSA-N -1 0 353.419 -0.462 20 0 FBADRM C=CC(=O)NCCNC(=O)c1nnn(C2CCN(C(=O)[O-])CC2)c1C ZINC000738494040 602502454 /nfs/dbraw/zinc/50/24/54/602502454.db2.gz POKQVMUQJDQALZ-UHFFFAOYSA-N -1 0 350.379 -0.067 20 0 FBADRM O=C([O-])N1CCC[C@@H](C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000738499651 602488266 /nfs/dbraw/zinc/48/82/66/602488266.db2.gz GSWXPLMHSSVBQE-LLVKDONJSA-N -1 0 365.477 -0.129 20 0 FBADRM O=C([O-])N1CCC[C@H](C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000738499653 602488369 /nfs/dbraw/zinc/48/83/69/602488369.db2.gz GSWXPLMHSSVBQE-NSHDSACASA-N -1 0 365.477 -0.129 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCCN2CCCS2(=O)=O)cc1 ZINC000738499895 599797665 /nfs/dbraw/zinc/79/76/65/599797665.db2.gz BQTROEWEPWOKCJ-UHFFFAOYSA-N -1 0 369.399 -0.135 20 0 FBADRM O=C([O-])c1cc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)ccc1Cl ZINC000738500334 600240186 /nfs/dbraw/zinc/24/01/86/600240186.db2.gz GQJXMVHBIGDRCS-UHFFFAOYSA-N -1 0 368.733 -0.355 20 0 FBADRM O=C([O-])N1CCC(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000738501458 602516969 /nfs/dbraw/zinc/51/69/69/602516969.db2.gz YUIVDBWQLRYFPP-UHFFFAOYSA-N -1 0 365.477 -0.129 20 0 FBADRM Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000738505261 600055182 /nfs/dbraw/zinc/05/51/82/600055182.db2.gz ZEACXHUMYITWMQ-CYBMUJFWSA-N -1 0 363.370 -0.053 20 0 FBADRM Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000738505262 600054162 /nfs/dbraw/zinc/05/41/62/600054162.db2.gz ZEACXHUMYITWMQ-ZDUSSCGKSA-N -1 0 363.370 -0.053 20 0 FBADRM O=C([O-])N1CCN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000738506490 603392439 /nfs/dbraw/zinc/39/24/39/603392439.db2.gz AWNNBZHKENRVKC-UHFFFAOYSA-N -1 0 363.309 -0.438 20 0 FBADRM O=C([O-])c1csc(CNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)n1 ZINC000738506658 660544200 /nfs/dbraw/zinc/54/42/00/660544200.db2.gz GMJOTBBUCHSHRY-UHFFFAOYSA-N -1 0 368.396 -0.045 20 0 FBADRM O=C([O-])c1csc(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)n1 ZINC000738506797 660544211 /nfs/dbraw/zinc/54/42/11/660544211.db2.gz LNDGVVMNQUFBTP-UHFFFAOYSA-N -1 0 368.396 -0.045 20 0 FBADRM CC(=O)N(C)C1CCN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1 ZINC000738508713 602129413 /nfs/dbraw/zinc/12/94/13/602129413.db2.gz KZLIPLNXSJFFAH-UHFFFAOYSA-N -1 0 369.422 -0.539 20 0 FBADRM CC(=O)N(C)C1CCN(C(=O)NCCN2CCN(C(=O)[O-])CC2)CC1 ZINC000738509128 602145343 /nfs/dbraw/zinc/14/53/43/602145343.db2.gz OPFAXTXIEBUVCR-UHFFFAOYSA-N -1 0 355.439 -0.066 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2CCO[C@@H](Cn3cncn3)C2)cc1 ZINC000738512518 600471124 /nfs/dbraw/zinc/47/11/24/600471124.db2.gz VMYQPDQDIAZSKF-CYBMUJFWSA-N -1 0 359.342 -0.158 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2CCO[C@H](Cn3cncn3)C2)cc1 ZINC000738512523 600471910 /nfs/dbraw/zinc/47/19/10/600471910.db2.gz VMYQPDQDIAZSKF-ZDUSSCGKSA-N -1 0 359.342 -0.158 20 0 FBADRM O=C([O-])N1CCCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)CC1 ZINC000738513571 603396147 /nfs/dbraw/zinc/39/61/47/603396147.db2.gz BPZPESBOFCEPPX-UHFFFAOYSA-N -1 0 359.346 -0.187 20 0 FBADRM Cc1ccc(C(=O)N[C@H](CO)C(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000738514411 599742984 /nfs/dbraw/zinc/74/29/84/599742984.db2.gz CKLNSDSZMHQMKO-GFCCVEGCSA-N -1 0 372.399 -0.809 20 0 FBADRM Cc1ccc(C(=O)N[C@@H](CO)C(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000738514416 599743024 /nfs/dbraw/zinc/74/30/24/599743024.db2.gz CKLNSDSZMHQMKO-LBPRGKRZSA-N -1 0 372.399 -0.809 20 0 FBADRM Cc1ccc(C(=O)NCCC(=O)O[C@@H](C)C(=O)NCC(=O)[O-])c(O)c1 ZINC000738515587 599789258 /nfs/dbraw/zinc/78/92/58/599789258.db2.gz ZVHVGBIZCAAXOO-JTQLQIEISA-N -1 0 352.343 -0.047 20 0 FBADRM Cc1ccc(C(=O)NCCC(=O)O[C@H](C)C(=O)NCC(=O)[O-])c(O)c1 ZINC000738515591 599789052 /nfs/dbraw/zinc/78/90/52/599789052.db2.gz ZVHVGBIZCAAXOO-SNVBAGLBSA-N -1 0 352.343 -0.047 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H]2CSCN2C(=O)C2CCCC2)CC1 ZINC000738516121 839990800 /nfs/dbraw/zinc/99/08/00/839990800.db2.gz AHELCMKXXDIRAI-GFCCVEGCSA-N -1 0 369.443 -0.167 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2CSCN2C(=O)C2CCCC2)CC1 ZINC000738516122 837806601 /nfs/dbraw/zinc/80/66/01/837806601.db2.gz AHELCMKXXDIRAI-LBPRGKRZSA-N -1 0 369.443 -0.167 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000738516398 837806620 /nfs/dbraw/zinc/80/66/20/837806620.db2.gz CZECIGTUESOJEU-UHFFFAOYSA-N -1 0 359.180 -0.209 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)CSCC(=O)N2CCCCC2)CC1 ZINC000738516985 837807220 /nfs/dbraw/zinc/80/72/20/837807220.db2.gz MGAPREBJCUCIIM-UHFFFAOYSA-N -1 0 357.432 -0.513 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1 ZINC000738517438 837806391 /nfs/dbraw/zinc/80/63/91/837806391.db2.gz QWQRTYSTJIZTLC-UHFFFAOYSA-N -1 0 361.276 -0.378 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)CN2C(=O)CSc3ccccc32)CC1 ZINC000738517959 837806650 /nfs/dbraw/zinc/80/66/50/837806650.db2.gz ZZAIIQCJJOXAFT-UHFFFAOYSA-N -1 0 363.395 -0.119 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000738518217 837807277 /nfs/dbraw/zinc/80/72/77/837807277.db2.gz RLVPICXIEGPDNH-GFCCVEGCSA-N -1 0 351.403 -0.077 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000738518218 837807012 /nfs/dbraw/zinc/80/70/12/837807012.db2.gz RLVPICXIEGPDNH-LBPRGKRZSA-N -1 0 351.403 -0.077 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000738518962 600272223 /nfs/dbraw/zinc/27/22/23/600272223.db2.gz BIUBQMJHGXBKOA-LLVKDONJSA-N -1 0 369.399 -0.218 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000738518963 600272256 /nfs/dbraw/zinc/27/22/56/600272256.db2.gz BIUBQMJHGXBKOA-NSHDSACASA-N -1 0 369.399 -0.218 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NCCCN1C(=O)CNC1=O ZINC000738519381 599883076 /nfs/dbraw/zinc/88/30/76/599883076.db2.gz QMFUOCLOVNCNIM-UHFFFAOYSA-N -1 0 362.342 -0.310 20 0 FBADRM CC(=O)N1CCC(CNC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1 ZINC000738519980 602554522 /nfs/dbraw/zinc/55/45/22/602554522.db2.gz DOOOASWALIGQKI-UHFFFAOYSA-N -1 0 369.422 -0.634 20 0 FBADRM CC(=O)N1CCC(NC(=O)N(C)CCN2CCN(C(=O)[O-])CC2)CC1 ZINC000738521224 602611408 /nfs/dbraw/zinc/61/14/08/602611408.db2.gz JSMQQTDPQNEPPX-UHFFFAOYSA-N -1 0 355.439 -0.066 20 0 FBADRM CC(=O)N1CCN(C(=O)COC(=O)c2csc(CNC(=O)[O-])n2)CC1 ZINC000738521700 602721911 /nfs/dbraw/zinc/72/19/11/602721911.db2.gz AADBMJSUMILBHF-UHFFFAOYSA-N -1 0 370.387 -0.242 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(C(=O)[O-])C[C@H]2C)CC1 ZINC000738522152 602749490 /nfs/dbraw/zinc/74/94/90/602749490.db2.gz CSTBOUBZNMKPEM-GFCCVEGCSA-N -1 0 369.422 -0.539 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(C(=O)[O-])C[C@@H]2C)CC1 ZINC000738522156 602749521 /nfs/dbraw/zinc/74/95/21/602749521.db2.gz CSTBOUBZNMKPEM-LBPRGKRZSA-N -1 0 369.422 -0.539 20 0 FBADRM CC(=O)N1CCC(NC(=O)CN(C)CCN2CCN(C(=O)[O-])CC2)CC1 ZINC000738522527 602872802 /nfs/dbraw/zinc/87/28/02/602872802.db2.gz NWXYBAIFTNVHDG-UHFFFAOYSA-N -1 0 369.466 -0.659 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])CC1 ZINC000738522597 603047052 /nfs/dbraw/zinc/04/70/52/603047052.db2.gz DLAIKPOIUHCSHJ-CHWSQXEVSA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])CC1 ZINC000738522604 603046976 /nfs/dbraw/zinc/04/69/76/603046976.db2.gz DLAIKPOIUHCSHJ-OLZOCXBDSA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])CC1 ZINC000738522610 603047006 /nfs/dbraw/zinc/04/70/06/603047006.db2.gz DLAIKPOIUHCSHJ-QWHCGFSZSA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])CC1 ZINC000738522618 603047207 /nfs/dbraw/zinc/04/72/07/603047207.db2.gz DLAIKPOIUHCSHJ-STQMWFEESA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)N1CCN(CCNC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000738522669 602846070 /nfs/dbraw/zinc/84/60/70/602846070.db2.gz DQRVQZHRZSBCGM-AWEZNQCLSA-N -1 0 356.423 -0.574 20 0 FBADRM CC(=O)N1CCN(CCNC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000738522673 602845959 /nfs/dbraw/zinc/84/59/59/602845959.db2.gz DQRVQZHRZSBCGM-CQSZACIVSA-N -1 0 356.423 -0.574 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000738522685 602586433 /nfs/dbraw/zinc/58/64/33/602586433.db2.gz FATOWYXFIHGUEY-GFCCVEGCSA-N -1 0 355.395 -0.881 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000738522687 602586496 /nfs/dbraw/zinc/58/64/96/602586496.db2.gz FATOWYXFIHGUEY-LBPRGKRZSA-N -1 0 355.395 -0.881 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)NC[C@H]2CCCN2C(=O)[O-])CC1 ZINC000738522795 602601263 /nfs/dbraw/zinc/60/12/63/602601263.db2.gz GLSPAGHVLIANCS-CYBMUJFWSA-N -1 0 369.422 -0.491 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)NC[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000738522798 602601271 /nfs/dbraw/zinc/60/12/71/602601271.db2.gz GLSPAGHVLIANCS-ZDUSSCGKSA-N -1 0 369.422 -0.491 20 0 FBADRM CC(=O)N1CCC(CNC(=O)NCCN2CCN(C(=O)[O-])CC2)CC1 ZINC000738523100 602624805 /nfs/dbraw/zinc/62/48/05/602624805.db2.gz QPMQXGUSNDGXFU-UHFFFAOYSA-N -1 0 355.439 -0.160 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)NCCN(C(=O)[O-])C2CC2)CC1 ZINC000738523407 602600274 /nfs/dbraw/zinc/60/02/74/602600274.db2.gz JSTLPLMWFNKIQG-UHFFFAOYSA-N -1 0 369.422 -0.491 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2CCCCN2C(=O)[O-])CC1 ZINC000738523412 602573983 /nfs/dbraw/zinc/57/39/83/602573983.db2.gz JYEAFZFQNVDWIG-CYBMUJFWSA-N -1 0 354.407 -0.284 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2CCCCN2C(=O)[O-])CC1 ZINC000738523414 602573830 /nfs/dbraw/zinc/57/38/30/602573830.db2.gz JYEAFZFQNVDWIG-ZDUSSCGKSA-N -1 0 354.407 -0.284 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N(C)[C@H](C)CNC(=O)[O-])CC1 ZINC000738523439 603379123 /nfs/dbraw/zinc/37/91/23/603379123.db2.gz KCNGEVMVKDHCMU-LLVKDONJSA-N -1 0 357.411 -0.635 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N(C)[C@@H](C)CNC(=O)[O-])CC1 ZINC000738523443 603379449 /nfs/dbraw/zinc/37/94/49/603379449.db2.gz KCNGEVMVKDHCMU-NSHDSACASA-N -1 0 357.411 -0.635 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000738523567 604603752 /nfs/dbraw/zinc/60/37/52/604603752.db2.gz LEPOTCCHGGGOHD-GFCCVEGCSA-N -1 0 355.395 -0.881 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000738523569 605102010 /nfs/dbraw/zinc/10/20/10/605102010.db2.gz LEPOTCCHGGGOHD-LBPRGKRZSA-N -1 0 355.395 -0.881 20 0 FBADRM CC(=O)N1CCC(NC(=O)CON=C(N)[C@@H](C)CN(C)C(=O)[O-])CC1 ZINC000738523865 602670739 /nfs/dbraw/zinc/67/07/39/602670739.db2.gz WIDAUBFBANSGKG-JTQLQIEISA-N -1 0 357.411 -0.142 20 0 FBADRM CC(=O)N1CCC(NC(=O)CON=C(N)[C@H](C)CN(C)C(=O)[O-])CC1 ZINC000738523867 602670939 /nfs/dbraw/zinc/67/09/39/602670939.db2.gz WIDAUBFBANSGKG-SNVBAGLBSA-N -1 0 357.411 -0.142 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)NCC[C@@H](C)NC(=O)[O-])CC1 ZINC000738523892 602600196 /nfs/dbraw/zinc/60/01/96/602600196.db2.gz MBLQXCJGLFFBIC-LLVKDONJSA-N -1 0 357.411 -0.587 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)NCC[C@H](C)NC(=O)[O-])CC1 ZINC000738523896 602600222 /nfs/dbraw/zinc/60/02/22/602600222.db2.gz MBLQXCJGLFFBIC-NSHDSACASA-N -1 0 357.411 -0.587 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@H](C)N(C)CCN2CCN(C(=O)[O-])CC2)CC1 ZINC000738524039 602872086 /nfs/dbraw/zinc/87/20/86/602872086.db2.gz NOOPDSPMPPVYSC-AWEZNQCLSA-N -1 0 369.466 -0.707 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@@H](C)N(C)CCN2CCN(C(=O)[O-])CC2)CC1 ZINC000738524043 602872648 /nfs/dbraw/zinc/87/26/48/602872648.db2.gz NOOPDSPMPPVYSC-CQSZACIVSA-N -1 0 369.466 -0.707 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@H](CNC(=O)[O-])C2)CC1 ZINC000738524047 603379415 /nfs/dbraw/zinc/37/94/15/603379415.db2.gz NSCHGBDISFNDBC-CYBMUJFWSA-N -1 0 369.422 -0.634 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@@H](CNC(=O)[O-])C2)CC1 ZINC000738524050 603379460 /nfs/dbraw/zinc/37/94/60/603379460.db2.gz NSCHGBDISFNDBC-ZDUSSCGKSA-N -1 0 369.422 -0.634 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)CCN(C(=O)[O-])C(C)C)CC1 ZINC000738524157 602573857 /nfs/dbraw/zinc/57/38/57/602573857.db2.gz PDDJDVLKZSIMJC-UHFFFAOYSA-N -1 0 356.423 -0.038 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)NC[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000738524762 602804167 /nfs/dbraw/zinc/80/41/67/602804167.db2.gz PZBWFJHGXIILBZ-CYBMUJFWSA-N -1 0 371.438 -0.341 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)NC[C@H](NC(=O)[O-])C(C)C)CC1 ZINC000738524766 602803812 /nfs/dbraw/zinc/80/38/12/602803812.db2.gz PZBWFJHGXIILBZ-ZDUSSCGKSA-N -1 0 371.438 -0.341 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)CC2CCN(C(=O)[O-])CC2)CC1 ZINC000738524884 602573873 /nfs/dbraw/zinc/57/38/73/602573873.db2.gz QTFPKVYCJMQCPU-UHFFFAOYSA-N -1 0 368.434 -0.037 20 0 FBADRM CC(=O)N1CCN(CCNC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CC1 ZINC000738524899 603132867 /nfs/dbraw/zinc/13/28/67/603132867.db2.gz QYZXXSAVHUDDSJ-UHFFFAOYSA-N -1 0 369.466 -0.659 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC(NC(=O)[O-])CC2)CC1 ZINC000738524994 602601336 /nfs/dbraw/zinc/60/13/36/602601336.db2.gz RVIGZMOXCNJOOL-UHFFFAOYSA-N -1 0 369.422 -0.491 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)NCCCN(C)C(=O)[O-])CC1 ZINC000738524997 602611818 /nfs/dbraw/zinc/61/18/18/602611818.db2.gz RVTCAQNLPDCWRR-UHFFFAOYSA-N -1 0 357.411 -0.634 20 0 FBADRM CC(=O)N1CCN(CCNC(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000738525028 603132967 /nfs/dbraw/zinc/13/29/67/603132967.db2.gz SGUYMPLPFOWXPD-AAEUAGOBSA-N -1 0 356.423 -0.230 20 0 FBADRM CC(=O)N1CCN(CCNC(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000738525033 603132741 /nfs/dbraw/zinc/13/27/41/603132741.db2.gz SGUYMPLPFOWXPD-DGCLKSJQSA-N -1 0 356.423 -0.230 20 0 FBADRM CC(=O)N1CCN(CCNC(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000738525036 603132655 /nfs/dbraw/zinc/13/26/55/603132655.db2.gz SGUYMPLPFOWXPD-WCQYABFASA-N -1 0 356.423 -0.230 20 0 FBADRM CC(=O)N1CCN(CCNC(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000738525042 603132871 /nfs/dbraw/zinc/13/28/71/603132871.db2.gz SGUYMPLPFOWXPD-YPMHNXCESA-N -1 0 356.423 -0.230 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)C2(NC(=O)[O-])CCCC2)CC1 ZINC000738525394 602573774 /nfs/dbraw/zinc/57/37/74/602573774.db2.gz UARLVOLBWBEVEP-UHFFFAOYSA-N -1 0 354.407 -0.236 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N(C)CCCNC(=O)[O-])CC1 ZINC000738525399 603283599 /nfs/dbraw/zinc/28/35/99/603283599.db2.gz UEZPXVGHARNYGA-UHFFFAOYSA-N -1 0 357.411 -0.634 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H](CNC(=O)[O-])C2CC2)CC1 ZINC000738525508 603085527 /nfs/dbraw/zinc/08/55/27/603085527.db2.gz XENRPHNOESSQMG-CYBMUJFWSA-N -1 0 369.422 -0.587 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H](CNC(=O)[O-])C2CC2)CC1 ZINC000738525509 603085619 /nfs/dbraw/zinc/08/56/19/603085619.db2.gz XENRPHNOESSQMG-ZDUSSCGKSA-N -1 0 369.422 -0.587 20 0 FBADRM CC(=O)N1CCN(CCNC(=O)c2csc(CNC(=O)[O-])n2)CC1 ZINC000738525660 602707188 /nfs/dbraw/zinc/70/71/88/602707188.db2.gz IGRRCCAGQNVTOH-UHFFFAOYSA-N -1 0 355.420 -0.195 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000738525763 602573920 /nfs/dbraw/zinc/57/39/20/602573920.db2.gz YUUKPBCUTIWOPS-LLVKDONJSA-N -1 0 358.420 -0.764 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2CSCN2C(=O)[O-])CC1 ZINC000738525765 602573880 /nfs/dbraw/zinc/57/38/80/602573880.db2.gz YUUKPBCUTIWOPS-NSHDSACASA-N -1 0 358.420 -0.764 20 0 FBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000738537290 600844772 /nfs/dbraw/zinc/84/47/72/600844772.db2.gz DVDLUPMOOJOSKH-KBPBESRZSA-N -1 0 373.475 -0.886 20 0 FBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000738537295 600127863 /nfs/dbraw/zinc/12/78/63/600127863.db2.gz DVDLUPMOOJOSKH-KGLIPLIRSA-N -1 0 373.475 -0.886 20 0 FBADRM O=C([O-])[C@H]1CCCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000738537297 600844755 /nfs/dbraw/zinc/84/47/55/600844755.db2.gz DVDLUPMOOJOSKH-UONOGXRCSA-N -1 0 373.475 -0.886 20 0 FBADRM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000738537301 600128296 /nfs/dbraw/zinc/12/82/96/600128296.db2.gz DVDLUPMOOJOSKH-ZIAGYGMSSA-N -1 0 373.475 -0.886 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000738537446 600751792 /nfs/dbraw/zinc/75/17/92/600751792.db2.gz HUQZOLAWTCLPEB-GJZGRUSLSA-N -1 0 354.451 -0.101 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000738537448 600751762 /nfs/dbraw/zinc/75/17/62/600751762.db2.gz HUQZOLAWTCLPEB-LSDHHAIUSA-N -1 0 354.451 -0.101 20 0 FBADRM O=C([O-])[C@@H]1CCCCN1CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000738538143 597432651 /nfs/dbraw/zinc/43/26/51/597432651.db2.gz WLLUELDPNODLHA-KBPBESRZSA-N -1 0 373.475 -0.743 20 0 FBADRM O=C([O-])[C@@H]1CCCCN1CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000738538144 597432382 /nfs/dbraw/zinc/43/23/82/597432382.db2.gz WLLUELDPNODLHA-KGLIPLIRSA-N -1 0 373.475 -0.743 20 0 FBADRM O=C([O-])[C@H]1CCCCN1CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000738538145 601577598 /nfs/dbraw/zinc/57/75/98/601577598.db2.gz WLLUELDPNODLHA-UONOGXRCSA-N -1 0 373.475 -0.743 20 0 FBADRM O=C([O-])[C@H]1CCCCN1CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000738538146 601577593 /nfs/dbraw/zinc/57/75/93/601577593.db2.gz WLLUELDPNODLHA-ZIAGYGMSSA-N -1 0 373.475 -0.743 20 0 FBADRM CC(=O)NC1CCC(NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1 ZINC000738540172 602022857 /nfs/dbraw/zinc/02/28/57/602022857.db2.gz GBJBHNWHQDLUQE-UHFFFAOYSA-N -1 0 369.422 -0.445 20 0 FBADRM CC(=O)N[C@H]1CCCN(C(=O)CN(C)CCN2CCN(C(=O)[O-])CC2)C1 ZINC000738541756 602867041 /nfs/dbraw/zinc/86/70/41/602867041.db2.gz ONDCTUPZKUIORN-HNNXBMFYSA-N -1 0 369.466 -0.659 20 0 FBADRM CC(=O)N[C@@H]1CCCN(C(=O)CN(C)CCN2CCN(C(=O)[O-])CC2)C1 ZINC000738541758 602866812 /nfs/dbraw/zinc/86/68/12/602866812.db2.gz ONDCTUPZKUIORN-OAHLLOKOSA-N -1 0 369.466 -0.659 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCN1C(=O)CNC1=O ZINC000738541838 599869238 /nfs/dbraw/zinc/86/92/38/599869238.db2.gz AUAYKEGTVXBLRM-UHFFFAOYSA-N -1 0 355.372 -0.087 20 0 FBADRM CC(=O)N[C@@H]1CCCN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C1 ZINC000738542415 603045338 /nfs/dbraw/zinc/04/53/38/603045338.db2.gz QGMBHZKIOFBSNO-GFCCVEGCSA-N -1 0 367.406 -0.391 20 0 FBADRM CC(=O)N[C@H]1CCCN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C1 ZINC000738542418 603045060 /nfs/dbraw/zinc/04/50/60/603045060.db2.gz QGMBHZKIOFBSNO-LBPRGKRZSA-N -1 0 367.406 -0.391 20 0 FBADRM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000738542966 602290333 /nfs/dbraw/zinc/29/03/33/602290333.db2.gz XPISXWYWVXXDBS-CYBMUJFWSA-N -1 0 368.434 -0.038 20 0 FBADRM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000738542969 602290194 /nfs/dbraw/zinc/29/01/94/602290194.db2.gz XPISXWYWVXXDBS-ZDUSSCGKSA-N -1 0 368.434 -0.038 20 0 FBADRM CC(=O)N1c2ccccc2C[C@H]1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738543571 602235816 /nfs/dbraw/zinc/23/58/16/602235816.db2.gz ZWWLWGWTMPIYKW-HNNXBMFYSA-N -1 0 374.397 -0.097 20 0 FBADRM O=C([O-])C1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000738544529 600565651 /nfs/dbraw/zinc/56/56/51/600565651.db2.gz ULFNAOZMRSKZKE-UHFFFAOYSA-N -1 0 365.477 -0.129 20 0 FBADRM O=C([O-])C1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000738545038 596916871 /nfs/dbraw/zinc/91/68/71/596916871.db2.gz MBJYDRKGRZZJAV-AWEZNQCLSA-N -1 0 373.475 -0.886 20 0 FBADRM O=C([O-])C1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000738545039 596916512 /nfs/dbraw/zinc/91/65/12/596916512.db2.gz MBJYDRKGRZZJAV-CQSZACIVSA-N -1 0 373.475 -0.886 20 0 FBADRM O=C([O-])C1CCN(C(=O)CN2CCO[C@@H](CNc3cccnn3)C2)CC1 ZINC000738545402 601107428 /nfs/dbraw/zinc/10/74/28/601107428.db2.gz PFPGXLVPISIGPQ-AWEZNQCLSA-N -1 0 363.418 -0.088 20 0 FBADRM O=C([O-])C1CCN(C(=O)CN2CCO[C@H](CNc3cccnn3)C2)CC1 ZINC000738545403 601107059 /nfs/dbraw/zinc/10/70/59/601107059.db2.gz PFPGXLVPISIGPQ-CQSZACIVSA-N -1 0 363.418 -0.088 20 0 FBADRM O=C([O-])C1CCN(C(=O)CN2CCN(c3ccc4nncn4n3)CC2)CC1 ZINC000738545476 599958372 /nfs/dbraw/zinc/95/83/72/599958372.db2.gz UTHODXAMFBDIJE-UHFFFAOYSA-N -1 0 373.417 -0.431 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCNS(=O)(=O)Cc2ccccc2)CCO1 ZINC000738546552 600035899 /nfs/dbraw/zinc/03/58/99/600035899.db2.gz FCACAGJWPSKLDN-CYBMUJFWSA-N -1 0 371.415 -0.399 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCNS(=O)(=O)Cc2ccccc2)CCO1 ZINC000738546553 600035847 /nfs/dbraw/zinc/03/58/47/600035847.db2.gz FCACAGJWPSKLDN-ZDUSSCGKSA-N -1 0 371.415 -0.399 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CCO1 ZINC000738546704 600037630 /nfs/dbraw/zinc/03/76/30/600037630.db2.gz MSSHXQBOSIFQHN-DOMZBBRYSA-N -1 0 359.448 -0.311 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NC[C@]2(N3CCOCC3)CCSC2)CCO1 ZINC000738546706 600037404 /nfs/dbraw/zinc/03/74/04/600037404.db2.gz MSSHXQBOSIFQHN-IUODEOHRSA-N -1 0 359.448 -0.311 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@]2(N3CCOCC3)CCSC2)CCO1 ZINC000738546708 600037565 /nfs/dbraw/zinc/03/75/65/600037565.db2.gz MSSHXQBOSIFQHN-SWLSCSKDSA-N -1 0 359.448 -0.311 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CCO1 ZINC000738546710 600037615 /nfs/dbraw/zinc/03/76/15/600037615.db2.gz MSSHXQBOSIFQHN-WFASDCNBSA-N -1 0 359.448 -0.311 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CCO1 ZINC000738546875 597414036 /nfs/dbraw/zinc/41/40/36/597414036.db2.gz RWAIYLAFNAMTSZ-LLVKDONJSA-N -1 0 368.390 -0.264 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CCO1 ZINC000738546877 597413720 /nfs/dbraw/zinc/41/37/20/597413720.db2.gz RWAIYLAFNAMTSZ-NSHDSACASA-N -1 0 368.390 -0.264 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCCCn2nc3n(c2=O)CCCC3)CCO1 ZINC000738546921 597418848 /nfs/dbraw/zinc/41/88/48/597418848.db2.gz UROVNXRDJMILJJ-LLVKDONJSA-N -1 0 353.379 -0.734 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCCCn2nc3n(c2=O)CCCC3)CCO1 ZINC000738546923 597418646 /nfs/dbraw/zinc/41/86/46/597418646.db2.gz UROVNXRDJMILJJ-NSHDSACASA-N -1 0 353.379 -0.734 20 0 FBADRM O=C([O-])C1CCN(S(=O)(=O)NCc2nnnn2-c2ccccc2)CC1 ZINC000738547053 600169307 /nfs/dbraw/zinc/16/93/07/600169307.db2.gz DYZRNDZJLMIFMO-UHFFFAOYSA-N -1 0 366.403 -0.207 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CCO1 ZINC000738547116 599948421 /nfs/dbraw/zinc/94/84/21/599948421.db2.gz ACNXGIBWEMFZPV-ACJLOTCBSA-N -1 0 373.365 -0.308 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CCO1 ZINC000738547127 599948492 /nfs/dbraw/zinc/94/84/92/599948492.db2.gz ACNXGIBWEMFZPV-FZKQIMNGSA-N -1 0 373.365 -0.308 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CCO1 ZINC000738547130 599948406 /nfs/dbraw/zinc/94/84/06/599948406.db2.gz ACNXGIBWEMFZPV-SCLBCKFNSA-N -1 0 373.365 -0.308 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CCO1 ZINC000738547133 599948390 /nfs/dbraw/zinc/94/83/90/599948390.db2.gz ACNXGIBWEMFZPV-UGSOOPFHSA-N -1 0 373.365 -0.308 20 0 FBADRM O=C([O-])C1CCN(S(=O)(=O)NCCCN2CCCS2(=O)=O)CC1 ZINC000738547138 599734642 /nfs/dbraw/zinc/73/46/42/599734642.db2.gz HGBSSNDCZPRWNW-UHFFFAOYSA-N -1 0 369.465 -0.957 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CCO1 ZINC000738547194 599942624 /nfs/dbraw/zinc/94/26/24/599942624.db2.gz DYNQYBCMZXZENG-JTQLQIEISA-N -1 0 354.340 -0.857 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CCO1 ZINC000738547198 599942702 /nfs/dbraw/zinc/94/27/02/599942702.db2.gz DYNQYBCMZXZENG-SNVBAGLBSA-N -1 0 354.340 -0.857 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C2CCN(c3ccc4nncn4n3)CC2)CCO1 ZINC000738547232 597383689 /nfs/dbraw/zinc/38/36/89/597383689.db2.gz FOOKJLMJLGOHBT-GFCCVEGCSA-N -1 0 360.374 -0.347 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C2CCN(c3ccc4nncn4n3)CC2)CCO1 ZINC000738547236 597383657 /nfs/dbraw/zinc/38/36/57/597383657.db2.gz FOOKJLMJLGOHBT-LBPRGKRZSA-N -1 0 360.374 -0.347 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CSc2nnnn2CC(F)(F)F)CCO1 ZINC000738547323 599940169 /nfs/dbraw/zinc/94/01/69/599940169.db2.gz LFHRZWSOCGVZCL-LURJTMIESA-N -1 0 355.298 -0.361 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CSc2nnnn2CC(F)(F)F)CCO1 ZINC000738547326 599940135 /nfs/dbraw/zinc/94/01/35/599940135.db2.gz LFHRZWSOCGVZCL-ZCFIWIBFSA-N -1 0 355.298 -0.361 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCc2cccnc2N2CCOCC2)CCO1 ZINC000738547681 600035209 /nfs/dbraw/zinc/03/52/09/600035209.db2.gz GGITZGRRTIMBLA-CYBMUJFWSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCc2cccnc2N2CCOCC2)CCO1 ZINC000738547707 600035258 /nfs/dbraw/zinc/03/52/58/600035258.db2.gz GGITZGRRTIMBLA-ZDUSSCGKSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CCO1 ZINC000738547716 600251364 /nfs/dbraw/zinc/25/13/64/600251364.db2.gz SJMKYOQWQMTGPP-KBPBESRZSA-N -1 0 369.418 -0.988 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CCO1 ZINC000738547720 600251360 /nfs/dbraw/zinc/25/13/60/600251360.db2.gz SJMKYOQWQMTGPP-KGLIPLIRSA-N -1 0 369.418 -0.988 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CCO1 ZINC000738547724 600251445 /nfs/dbraw/zinc/25/14/45/600251445.db2.gz SJMKYOQWQMTGPP-UONOGXRCSA-N -1 0 369.418 -0.988 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CCO1 ZINC000738547742 600251350 /nfs/dbraw/zinc/25/13/50/600251350.db2.gz SJMKYOQWQMTGPP-ZIAGYGMSSA-N -1 0 369.418 -0.988 20 0 FBADRM O=C([O-])[C@H]1CN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CCO1 ZINC000738547758 599979476 /nfs/dbraw/zinc/97/94/76/599979476.db2.gz ATZPGIHCCAFSBN-CYBMUJFWSA-N -1 0 351.359 -0.651 20 0 FBADRM O=C([O-])[C@@H]1CN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CCO1 ZINC000738547763 599979489 /nfs/dbraw/zinc/97/94/89/599979489.db2.gz ATZPGIHCCAFSBN-ZDUSSCGKSA-N -1 0 351.359 -0.651 20 0 FBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCO[C@H](Cn3cccn3)C2)CC1 ZINC000738548239 600347905 /nfs/dbraw/zinc/34/79/05/600347905.db2.gz SWFRPEOKCGNDPU-CYBMUJFWSA-N -1 0 358.420 -0.375 20 0 FBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCO[C@@H](Cn3cccn3)C2)CC1 ZINC000738548246 600348967 /nfs/dbraw/zinc/34/89/67/600348967.db2.gz SWFRPEOKCGNDPU-ZDUSSCGKSA-N -1 0 358.420 -0.375 20 0 FBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000738548347 600434914 /nfs/dbraw/zinc/43/49/14/600434914.db2.gz UNGVKJPRCPJWAX-SECBINFHSA-N -1 0 373.353 -0.219 20 0 FBADRM O=C([O-])C1CCN(S(=O)(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000738548348 600434873 /nfs/dbraw/zinc/43/48/73/600434873.db2.gz UNGVKJPRCPJWAX-VIFPVBQESA-N -1 0 373.353 -0.219 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)nc2)CCO1 ZINC000738548380 599987684 /nfs/dbraw/zinc/98/76/84/599987684.db2.gz ILUJOHPTVJWYBN-CYBMUJFWSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)nc2)CCO1 ZINC000738548381 599987568 /nfs/dbraw/zinc/98/75/68/599987568.db2.gz ILUJOHPTVJWYBN-ZDUSSCGKSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NCc2ccnc(N3CCOCC3)c2)CCO1 ZINC000738548442 600035125 /nfs/dbraw/zinc/03/51/25/600035125.db2.gz LXJDEHAWUFCNOD-CYBMUJFWSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NCc2ccnc(N3CCOCC3)c2)CCO1 ZINC000738548444 600035230 /nfs/dbraw/zinc/03/52/30/600035230.db2.gz LXJDEHAWUFCNOD-ZDUSSCGKSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCO1 ZINC000738548503 600281386 /nfs/dbraw/zinc/28/13/86/600281386.db2.gz WDJOSKBLNVEDTG-LLVKDONJSA-N -1 0 367.362 -0.941 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCO1 ZINC000738548512 600281394 /nfs/dbraw/zinc/28/13/94/600281394.db2.gz WDJOSKBLNVEDTG-NSHDSACASA-N -1 0 367.362 -0.941 20 0 FBADRM O=C([O-])[C@H]1CN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CCO1 ZINC000738548603 599972849 /nfs/dbraw/zinc/97/28/49/599972849.db2.gz KUUJFHZBTZKREH-GFCCVEGCSA-N -1 0 367.427 -0.182 20 0 FBADRM O=C([O-])[C@@H]1CN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CCO1 ZINC000738548606 599972693 /nfs/dbraw/zinc/97/26/93/599972693.db2.gz KUUJFHZBTZKREH-LBPRGKRZSA-N -1 0 367.427 -0.182 20 0 FBADRM O=C([O-])[C@@H]1CN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CCO1 ZINC000738548702 597384562 /nfs/dbraw/zinc/38/45/62/597384562.db2.gz MWXNMIIGLLPDRZ-AWEZNQCLSA-N -1 0 353.419 -0.367 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000738548705 603011247 /nfs/dbraw/zinc/01/12/47/603011247.db2.gz ANYKMFDCVFRLPQ-GSPSYOTPSA-N -1 0 366.418 -0.097 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000738548707 603011512 /nfs/dbraw/zinc/01/15/12/603011512.db2.gz ANYKMFDCVFRLPQ-WTUNAVPPSA-N -1 0 366.418 -0.097 20 0 FBADRM O=C([O-])[C@H]1CN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CCO1 ZINC000738548709 597384866 /nfs/dbraw/zinc/38/48/66/597384866.db2.gz MWXNMIIGLLPDRZ-CQSZACIVSA-N -1 0 353.419 -0.367 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000738548725 602777046 /nfs/dbraw/zinc/77/70/46/602777046.db2.gz AUKWISGPGBMJLU-FRRDWIJNSA-N -1 0 354.407 -0.334 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000738548728 602776841 /nfs/dbraw/zinc/77/68/41/602776841.db2.gz AUKWISGPGBMJLU-JHJVBQTASA-N -1 0 354.407 -0.334 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000738548731 602777082 /nfs/dbraw/zinc/77/70/82/602777082.db2.gz AUKWISGPGBMJLU-RWMBFGLXSA-N -1 0 354.407 -0.334 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000738548732 602776999 /nfs/dbraw/zinc/77/69/99/602776999.db2.gz AUKWISGPGBMJLU-YNEHKIRRSA-N -1 0 354.407 -0.334 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)N1CCCc2cc(CNC(=O)[O-])ccc21 ZINC000738549134 602644780 /nfs/dbraw/zinc/64/47/80/602644780.db2.gz CNUVZFKFQAVFAD-UHFFFAOYSA-N -1 0 362.386 -0.014 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738549269 602297248 /nfs/dbraw/zinc/29/72/48/602297248.db2.gz FFUSRRUXDPKKER-KBPBESRZSA-N -1 0 368.434 -0.038 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000738549270 602297337 /nfs/dbraw/zinc/29/73/37/602297337.db2.gz FFUSRRUXDPKKER-KGLIPLIRSA-N -1 0 368.434 -0.038 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738549272 602297408 /nfs/dbraw/zinc/29/74/08/602297408.db2.gz FFUSRRUXDPKKER-UONOGXRCSA-N -1 0 368.434 -0.038 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000738549274 602297214 /nfs/dbraw/zinc/29/72/14/602297214.db2.gz FFUSRRUXDPKKER-ZIAGYGMSSA-N -1 0 368.434 -0.038 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000738549290 602297409 /nfs/dbraw/zinc/29/74/09/602297409.db2.gz FSDCIVQSDFTZDR-CHWSQXEVSA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000738549292 602297400 /nfs/dbraw/zinc/29/74/00/602297400.db2.gz FSDCIVQSDFTZDR-OLZOCXBDSA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000738549295 602297157 /nfs/dbraw/zinc/29/71/57/602297157.db2.gz FSDCIVQSDFTZDR-QWHCGFSZSA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000738549297 602297195 /nfs/dbraw/zinc/29/71/95/602297195.db2.gz FSDCIVQSDFTZDR-STQMWFEESA-N -1 0 354.407 -0.380 20 0 FBADRM O=C([O-])[C@H]1CN(CN2C(=O)C(=O)N(CCc3cccs3)C2=O)CCO1 ZINC000738549503 599955792 /nfs/dbraw/zinc/95/57/92/599955792.db2.gz SGQFTWJPOGHXHR-LLVKDONJSA-N -1 0 367.383 -0.176 20 0 FBADRM O=C([O-])[C@@H]1CN(CN2C(=O)C(=O)N(CCc3cccs3)C2=O)CCO1 ZINC000738549504 599955781 /nfs/dbraw/zinc/95/57/81/599955781.db2.gz SGQFTWJPOGHXHR-NSHDSACASA-N -1 0 367.383 -0.176 20 0 FBADRM O=C([O-])[C@@H]1CN(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CCO1 ZINC000738549540 599955821 /nfs/dbraw/zinc/95/58/21/599955821.db2.gz UIGPTZSZFINCMW-JTQLQIEISA-N -1 0 353.356 -0.218 20 0 FBADRM O=C([O-])[C@H]1CN(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CCO1 ZINC000738549542 599955804 /nfs/dbraw/zinc/95/58/04/599955804.db2.gz UIGPTZSZFINCMW-SNVBAGLBSA-N -1 0 353.356 -0.218 20 0 FBADRM O=C([O-])[C@@H]1CN(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000738549544 599975278 /nfs/dbraw/zinc/97/52/78/599975278.db2.gz UUCNWGLKSYSBBQ-KBPBESRZSA-N -1 0 374.459 -0.270 20 0 FBADRM O=C([O-])[C@@H]1CN(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000738549548 599975334 /nfs/dbraw/zinc/97/53/34/599975334.db2.gz UUCNWGLKSYSBBQ-KGLIPLIRSA-N -1 0 374.459 -0.270 20 0 FBADRM O=C([O-])[C@H]1CN(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000738549550 599975243 /nfs/dbraw/zinc/97/52/43/599975243.db2.gz UUCNWGLKSYSBBQ-UONOGXRCSA-N -1 0 374.459 -0.270 20 0 FBADRM O=C([O-])[C@H]1CN(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000738549552 599975323 /nfs/dbraw/zinc/97/53/23/599975323.db2.gz UUCNWGLKSYSBBQ-ZIAGYGMSSA-N -1 0 374.459 -0.270 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1C(=O)[O-] ZINC000738549750 602293567 /nfs/dbraw/zinc/29/35/67/602293567.db2.gz HGUWHSIVOTVXPQ-CHWSQXEVSA-N -1 0 354.407 -0.238 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)[O-] ZINC000738549755 602293607 /nfs/dbraw/zinc/29/36/07/602293607.db2.gz HGUWHSIVOTVXPQ-OLZOCXBDSA-N -1 0 354.407 -0.238 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C(=O)[O-] ZINC000738549760 602293650 /nfs/dbraw/zinc/29/36/50/602293650.db2.gz HGUWHSIVOTVXPQ-QWHCGFSZSA-N -1 0 354.407 -0.238 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)[O-] ZINC000738549767 602293704 /nfs/dbraw/zinc/29/37/04/602293704.db2.gz HGUWHSIVOTVXPQ-STQMWFEESA-N -1 0 354.407 -0.238 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC(CNC(=O)[O-])CC1 ZINC000738549784 602298175 /nfs/dbraw/zinc/29/81/75/602298175.db2.gz HNMZYHYINOLPPZ-CYBMUJFWSA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC(CNC(=O)[O-])CC1 ZINC000738549789 602298089 /nfs/dbraw/zinc/29/80/89/602298089.db2.gz HNMZYHYINOLPPZ-ZDUSSCGKSA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738549859 602491009 /nfs/dbraw/zinc/49/10/09/602491009.db2.gz IEEYYULJXKEPHL-CHWSQXEVSA-N -1 0 354.407 -0.428 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738549864 602490900 /nfs/dbraw/zinc/49/09/00/602490900.db2.gz IEEYYULJXKEPHL-OLZOCXBDSA-N -1 0 354.407 -0.428 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738549866 602490817 /nfs/dbraw/zinc/49/08/17/602490817.db2.gz IEEYYULJXKEPHL-QWHCGFSZSA-N -1 0 354.407 -0.428 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738549869 602491012 /nfs/dbraw/zinc/49/10/12/602491012.db2.gz IEEYYULJXKEPHL-STQMWFEESA-N -1 0 354.407 -0.428 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)CCO1 ZINC000738550398 603051214 /nfs/dbraw/zinc/05/12/14/603051214.db2.gz JUDSDXIFZWICPY-LLVKDONJSA-N -1 0 365.346 -0.527 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)CCO1 ZINC000738550401 603051201 /nfs/dbraw/zinc/05/12/01/603051201.db2.gz JUDSDXIFZWICPY-NSHDSACASA-N -1 0 365.346 -0.527 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738550465 602364503 /nfs/dbraw/zinc/36/45/03/602364503.db2.gz KOLKVLYYXOFPFY-AWEZNQCLSA-N -1 0 368.434 -0.038 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738550470 602364212 /nfs/dbraw/zinc/36/42/12/602364212.db2.gz KOLKVLYYXOFPFY-CQSZACIVSA-N -1 0 368.434 -0.038 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)N1CCN(C(=O)[O-])CC12CCCCC2 ZINC000738550510 603063511 /nfs/dbraw/zinc/06/35/11/603063511.db2.gz LIYKQRJZZWZTLI-UHFFFAOYSA-N -1 0 354.407 -0.236 20 0 FBADRM CC(=O)N[C@@H](CC(=O)Nc1nc2c(s1)CN(C(=O)[O-])CC2)C(N)=O ZINC000738550857 603193796 /nfs/dbraw/zinc/19/37/96/603193796.db2.gz VWUSADPWSJOJTR-QMMMGPOBSA-N -1 0 355.376 -0.502 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)Nc1nc2c(s1)CN(C(=O)[O-])CC2 ZINC000738551046 602675856 /nfs/dbraw/zinc/67/58/56/602675856.db2.gz MRZNXNULQJZTRX-UHFFFAOYSA-N -1 0 355.376 -0.630 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2nc3ncc(Br)cn3n2)CCO1 ZINC000738551473 599938637 /nfs/dbraw/zinc/93/86/37/599938637.db2.gz GZMUNVQIWBKSPX-SSDOTTSWSA-N -1 0 356.136 -0.188 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2nc3ncc(Br)cn3n2)CCO1 ZINC000738551477 599938619 /nfs/dbraw/zinc/93/86/19/599938619.db2.gz GZMUNVQIWBKSPX-ZETCQYMHSA-N -1 0 356.136 -0.188 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000738551811 602766513 /nfs/dbraw/zinc/76/65/13/602766513.db2.gz PWRYHESRWVXUNT-GMXVVIOVSA-N -1 0 354.407 -0.287 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000738551812 602766199 /nfs/dbraw/zinc/76/61/99/602766199.db2.gz PWRYHESRWVXUNT-LOWVWBTDSA-N -1 0 354.407 -0.287 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1 ZINC000738551814 602766408 /nfs/dbraw/zinc/76/64/08/602766408.db2.gz PWRYHESRWVXUNT-NQBHXWOUSA-N -1 0 354.407 -0.287 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000738551816 602766281 /nfs/dbraw/zinc/76/62/81/602766281.db2.gz PWRYHESRWVXUNT-NTZNESFSSA-N -1 0 354.407 -0.287 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)CCO1 ZINC000738552015 599944803 /nfs/dbraw/zinc/94/48/03/599944803.db2.gz UCBVAANEOUILJT-LLVKDONJSA-N -1 0 358.372 -0.010 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)CCO1 ZINC000738552017 599944520 /nfs/dbraw/zinc/94/45/20/599944520.db2.gz UCBVAANEOUILJT-NSHDSACASA-N -1 0 358.372 -0.010 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738552411 602299489 /nfs/dbraw/zinc/29/94/89/602299489.db2.gz RRJUEIMFNBMZKQ-CHWSQXEVSA-N -1 0 354.407 -0.286 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738552416 602299473 /nfs/dbraw/zinc/29/94/73/602299473.db2.gz RRJUEIMFNBMZKQ-OLZOCXBDSA-N -1 0 354.407 -0.286 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738552420 602299501 /nfs/dbraw/zinc/29/95/01/602299501.db2.gz RRJUEIMFNBMZKQ-QWHCGFSZSA-N -1 0 354.407 -0.286 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738552426 602299470 /nfs/dbraw/zinc/29/94/70/602299470.db2.gz RRJUEIMFNBMZKQ-STQMWFEESA-N -1 0 354.407 -0.286 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000738552464 603327799 /nfs/dbraw/zinc/32/77/99/603327799.db2.gz SHQXRTIEOYUYPM-CYZMBNFOSA-N -1 0 354.407 -0.382 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000738552465 603328076 /nfs/dbraw/zinc/32/80/76/603328076.db2.gz SHQXRTIEOYUYPM-KGYLQXTDSA-N -1 0 354.407 -0.382 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000738552466 603328226 /nfs/dbraw/zinc/32/82/26/603328226.db2.gz SHQXRTIEOYUYPM-RAIGVLPGSA-N -1 0 354.407 -0.382 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000738552467 603327734 /nfs/dbraw/zinc/32/77/34/603327734.db2.gz SHQXRTIEOYUYPM-WCFLWFBJSA-N -1 0 354.407 -0.382 20 0 FBADRM CC(=O)NCC(=O)N1CCc2cc(C(=O)NC3CN(C(=O)[O-])C3)ccc21 ZINC000738552482 604764886 /nfs/dbraw/zinc/76/48/86/604764886.db2.gz SNZVVCGMFYLKTK-UHFFFAOYSA-N -1 0 360.370 -0.196 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000738553032 602411406 /nfs/dbraw/zinc/41/14/06/602411406.db2.gz UBLLZAKFOFLAIE-CHWSQXEVSA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000738553055 602411328 /nfs/dbraw/zinc/41/13/28/602411328.db2.gz UBLLZAKFOFLAIE-OLZOCXBDSA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000738553064 602411443 /nfs/dbraw/zinc/41/14/43/602411443.db2.gz UBLLZAKFOFLAIE-QWHCGFSZSA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000738553069 602411377 /nfs/dbraw/zinc/41/13/77/602411377.db2.gz UBLLZAKFOFLAIE-STQMWFEESA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000738553228 602293624 /nfs/dbraw/zinc/29/36/24/602293624.db2.gz VNMAXZXTISJOFD-CHWSQXEVSA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000738553232 602293615 /nfs/dbraw/zinc/29/36/15/602293615.db2.gz VNMAXZXTISJOFD-OLZOCXBDSA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738553233 602293665 /nfs/dbraw/zinc/29/36/65/602293665.db2.gz VNMAXZXTISJOFD-QWHCGFSZSA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738553235 602293485 /nfs/dbraw/zinc/29/34/85/602293485.db2.gz VNMAXZXTISJOFD-STQMWFEESA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)NCCCN2CCN(C(=O)[O-])CC2)CCO1 ZINC000738553285 603045313 /nfs/dbraw/zinc/04/53/13/603045313.db2.gz VWLNFPPAOFZTKC-AWEZNQCLSA-N -1 0 371.438 -0.781 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)NCCCN2CCN(C(=O)[O-])CC2)CCO1 ZINC000738553289 603045560 /nfs/dbraw/zinc/04/55/60/603045560.db2.gz VWLNFPPAOFZTKC-CQSZACIVSA-N -1 0 371.438 -0.781 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000738553356 603063492 /nfs/dbraw/zinc/06/34/92/603063492.db2.gz WRJAEFXACAASCI-BPCQOVAHSA-N -1 0 354.407 -0.192 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000738553357 603062999 /nfs/dbraw/zinc/06/29/99/603062999.db2.gz WRJAEFXACAASCI-WXRRBKDZSA-N -1 0 354.407 -0.192 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000738553882 602293690 /nfs/dbraw/zinc/29/36/90/602293690.db2.gz YPOONHSCEWEBKR-CYBMUJFWSA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000738553883 602293503 /nfs/dbraw/zinc/29/35/03/602293503.db2.gz YPOONHSCEWEBKR-ZDUSSCGKSA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000738555263 602437715 /nfs/dbraw/zinc/43/77/15/602437715.db2.gz CJNQUALERPRSMC-CYBMUJFWSA-N -1 0 356.423 -0.133 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738555264 602437603 /nfs/dbraw/zinc/43/76/03/602437603.db2.gz CJNQUALERPRSMC-ZDUSSCGKSA-N -1 0 356.423 -0.133 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738555288 602589633 /nfs/dbraw/zinc/58/96/33/602589633.db2.gz DNPHMSSDVQHCEB-AAEUAGOBSA-N -1 0 356.423 -0.086 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738555289 602589564 /nfs/dbraw/zinc/58/95/64/602589564.db2.gz DNPHMSSDVQHCEB-DGCLKSJQSA-N -1 0 356.423 -0.086 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738555290 602589649 /nfs/dbraw/zinc/58/96/49/602589649.db2.gz DNPHMSSDVQHCEB-WCQYABFASA-N -1 0 356.423 -0.086 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738555291 602589614 /nfs/dbraw/zinc/58/96/14/602589614.db2.gz DNPHMSSDVQHCEB-YPMHNXCESA-N -1 0 356.423 -0.086 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000738555614 602592278 /nfs/dbraw/zinc/59/22/78/602592278.db2.gz LVUXFAZCASFJFI-LLVKDONJSA-N -1 0 356.423 -0.086 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000738555615 602592377 /nfs/dbraw/zinc/59/23/77/602592377.db2.gz LVUXFAZCASFJFI-NSHDSACASA-N -1 0 356.423 -0.086 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000738555892 603007189 /nfs/dbraw/zinc/00/71/89/603007189.db2.gz NDFJMOJUVKNTAC-YHWZYXNKSA-N -1 0 354.407 -0.192 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000738555983 603209476 /nfs/dbraw/zinc/20/94/76/603209476.db2.gz PMJVLNTWCLDSCA-CMPLNLGQSA-N -1 0 372.422 -0.362 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000738556092 603209505 /nfs/dbraw/zinc/20/95/05/603209505.db2.gz PMJVLNTWCLDSCA-JQWIXIFHSA-N -1 0 372.422 -0.362 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000738556094 603209460 /nfs/dbraw/zinc/20/94/60/603209460.db2.gz PMJVLNTWCLDSCA-PWSUYJOCSA-N -1 0 372.422 -0.362 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000738556096 603209515 /nfs/dbraw/zinc/20/95/15/603209515.db2.gz PMJVLNTWCLDSCA-ZYHUDNBSSA-N -1 0 372.422 -0.362 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738557049 602591302 /nfs/dbraw/zinc/59/13/02/602591302.db2.gz XOHAUDHDRQTKJL-UHFFFAOYSA-N -1 0 356.423 -0.133 20 0 FBADRM Cc1ccc([C@@H](CNC(=O)Cn2cc(S(N)(=O)=O)cn2)C(=O)[O-])cc1 ZINC000738558941 600174027 /nfs/dbraw/zinc/17/40/27/600174027.db2.gz CPOFHVPTSNKEFM-CYBMUJFWSA-N -1 0 366.399 -0.176 20 0 FBADRM Cc1ccc([C@H](CNC(=O)Cn2cc(S(N)(=O)=O)cn2)C(=O)[O-])cc1 ZINC000738558960 600174078 /nfs/dbraw/zinc/17/40/78/600174078.db2.gz CPOFHVPTSNKEFM-ZDUSSCGKSA-N -1 0 366.399 -0.176 20 0 FBADRM O=C([O-])CCCCN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000738571358 597792336 /nfs/dbraw/zinc/79/23/36/597792336.db2.gz SFXJLWLJSUYISG-GFCCVEGCSA-N -1 0 368.477 -0.624 20 0 FBADRM O=C([O-])CCCCN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000738571361 597792477 /nfs/dbraw/zinc/79/24/77/597792477.db2.gz SFXJLWLJSUYISG-LBPRGKRZSA-N -1 0 368.477 -0.624 20 0 FBADRM O=C([O-])CCCCOC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000738576087 597822088 /nfs/dbraw/zinc/82/20/88/597822088.db2.gz WJPFVUNTUCQWFQ-JTQLQIEISA-N -1 0 360.388 -0.050 20 0 FBADRM O=C([O-])CCCCOC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000738576088 597822094 /nfs/dbraw/zinc/82/20/94/597822094.db2.gz WJPFVUNTUCQWFQ-SNVBAGLBSA-N -1 0 360.388 -0.050 20 0 FBADRM O=C([O-])CCCOC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000738581358 597831624 /nfs/dbraw/zinc/83/16/24/597831624.db2.gz KCTWODBDFCHJRN-UHFFFAOYSA-N -1 0 370.383 -0.171 20 0 FBADRM O=C([O-])CCCOC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000738581366 597832732 /nfs/dbraw/zinc/83/27/32/597832732.db2.gz KTFXOQTXBILFSQ-UHFFFAOYSA-N -1 0 370.383 -0.171 20 0 FBADRM O=C([O-])CCCS(=O)(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000738582644 600494890 /nfs/dbraw/zinc/49/48/90/600494890.db2.gz MMKCTRJKIWJPFF-CYBMUJFWSA-N -1 0 352.478 -0.022 20 0 FBADRM O=C([O-])CCCS(=O)(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000738582647 600494606 /nfs/dbraw/zinc/49/46/06/600494606.db2.gz MMKCTRJKIWJPFF-ZDUSSCGKSA-N -1 0 352.478 -0.022 20 0 FBADRM CC(=O)Nc1nc(COC(=O)CN2CCN(C(=O)[O-])CC2=O)cs1 ZINC000738584747 603108435 /nfs/dbraw/zinc/10/84/35/603108435.db2.gz AARSBLSEMSMFCO-UHFFFAOYSA-N -1 0 356.360 -0.033 20 0 FBADRM O=C([O-])CCCS(=O)(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000738585219 600236264 /nfs/dbraw/zinc/23/62/64/600236264.db2.gz PJJWSKJNWYCZKC-UHFFFAOYSA-N -1 0 354.392 -0.559 20 0 FBADRM O=C([O-])CCCS(=O)(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000738585283 600401939 /nfs/dbraw/zinc/40/19/39/600401939.db2.gz RZBQNLHCURHVKM-UHFFFAOYSA-N -1 0 361.464 -0.189 20 0 FBADRM O=C([O-])CCCS(=O)(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000738585453 600492279 /nfs/dbraw/zinc/49/22/79/600492279.db2.gz XODGZWKIGZVQFA-UHFFFAOYSA-N -1 0 361.464 -0.189 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000738587728 597253403 /nfs/dbraw/zinc/25/34/03/597253403.db2.gz CPGFJQIKMGVBHN-UHFFFAOYSA-N -1 0 369.399 -0.549 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC000738587730 600333519 /nfs/dbraw/zinc/33/35/19/600333519.db2.gz CUEPZNVNQSKNEP-UHFFFAOYSA-N -1 0 373.362 -0.105 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000738587760 600334111 /nfs/dbraw/zinc/33/41/11/600334111.db2.gz GCMCWGBMOWEWLN-UHFFFAOYSA-N -1 0 355.372 -0.244 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000738588350 600752443 /nfs/dbraw/zinc/75/24/43/600752443.db2.gz MQBLECQUFIPRTR-UHFFFAOYSA-N -1 0 373.362 -0.204 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000738588360 600335958 /nfs/dbraw/zinc/33/59/58/600335958.db2.gz NCIZMDOABCNDSF-UHFFFAOYSA-N -1 0 355.372 -0.343 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000738588772 600334880 /nfs/dbraw/zinc/33/48/80/600334880.db2.gz QFTHYHRWJOZKFY-UHFFFAOYSA-N -1 0 373.362 -0.105 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000738588828 600332972 /nfs/dbraw/zinc/33/29/72/600332972.db2.gz QQYHIQNZYRPSCL-UHFFFAOYSA-N -1 0 363.370 -0.383 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000738588908 600332820 /nfs/dbraw/zinc/33/28/20/600332820.db2.gz SODYDUBPCNWGDV-UHFFFAOYSA-N -1 0 355.372 -0.244 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000738589273 600334394 /nfs/dbraw/zinc/33/43/94/600334394.db2.gz WQDAPMOJCRLADP-UHFFFAOYSA-N -1 0 368.777 -0.194 20 0 FBADRM O=C([O-])CN(C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 ZINC000738600054 601635224 /nfs/dbraw/zinc/63/52/24/601635224.db2.gz USEZXNXGARAZOG-AWEZNQCLSA-N -1 0 353.419 -0.225 20 0 FBADRM O=C([O-])CN(C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 ZINC000738600055 601635374 /nfs/dbraw/zinc/63/53/74/601635374.db2.gz USEZXNXGARAZOG-CQSZACIVSA-N -1 0 353.419 -0.225 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCCNC(=O)[O-])cc1 ZINC000738600978 602406208 /nfs/dbraw/zinc/40/62/08/602406208.db2.gz KDQAVZDIDPSWCI-UHFFFAOYSA-N -1 0 357.388 -0.059 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCN(C)C(=O)[O-])cc1 ZINC000738601077 602405876 /nfs/dbraw/zinc/40/58/76/602405876.db2.gz LAXFIRGDYSOZJQ-UHFFFAOYSA-N -1 0 357.388 -0.107 20 0 FBADRM C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738605545 602535750 /nfs/dbraw/zinc/53/57/50/602535750.db2.gz WTMFSHKBWZTCKX-AGIUHOORSA-N -1 0 361.464 -0.048 20 0 FBADRM C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738605549 602535611 /nfs/dbraw/zinc/53/56/11/602535611.db2.gz WTMFSHKBWZTCKX-FRRDWIJNSA-N -1 0 361.464 -0.048 20 0 FBADRM C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738605701 602535528 /nfs/dbraw/zinc/53/55/28/602535528.db2.gz WTMFSHKBWZTCKX-JHJVBQTASA-N -1 0 361.464 -0.048 20 0 FBADRM C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738605703 602535755 /nfs/dbraw/zinc/53/57/55/602535755.db2.gz WTMFSHKBWZTCKX-UPJWGTAASA-N -1 0 361.464 -0.048 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)NC1CC1)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000738605715 602868870 /nfs/dbraw/zinc/86/88/70/602868870.db2.gz WUCMCDMYQNKMST-CYBMUJFWSA-N -1 0 369.466 -0.661 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000738605717 602868665 /nfs/dbraw/zinc/86/86/65/602868665.db2.gz WUCMCDMYQNKMST-ZDUSSCGKSA-N -1 0 369.466 -0.661 20 0 FBADRM O=C([O-])CN(CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000738605955 601462941 /nfs/dbraw/zinc/46/29/41/601462941.db2.gz ZNORAHJFRBPSLV-KBPBESRZSA-N -1 0 374.459 -0.270 20 0 FBADRM O=C([O-])CN(CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000738605957 601462745 /nfs/dbraw/zinc/46/27/45/601462745.db2.gz ZNORAHJFRBPSLV-KGLIPLIRSA-N -1 0 374.459 -0.270 20 0 FBADRM O=C([O-])CN(CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000738605958 601462861 /nfs/dbraw/zinc/46/28/61/601462861.db2.gz ZNORAHJFRBPSLV-UONOGXRCSA-N -1 0 374.459 -0.270 20 0 FBADRM O=C([O-])CN(CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000738605960 601463114 /nfs/dbraw/zinc/46/31/14/601463114.db2.gz ZNORAHJFRBPSLV-ZIAGYGMSSA-N -1 0 374.459 -0.270 20 0 FBADRM C[C@H](C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1)N1C(=O)CCC1=O ZINC000738612345 602143139 /nfs/dbraw/zinc/14/31/39/602143139.db2.gz GFHPOAWQKLEHLY-GHMZBOCLSA-N -1 0 368.390 -0.854 20 0 FBADRM C[C@H](C(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1)N1C(=O)CCC1=O ZINC000738612346 602143129 /nfs/dbraw/zinc/14/31/29/602143129.db2.gz GFHPOAWQKLEHLY-MNOVXSKESA-N -1 0 368.390 -0.854 20 0 FBADRM C[C@@H](C(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1)N1C(=O)CCC1=O ZINC000738612348 602142933 /nfs/dbraw/zinc/14/29/33/602142933.db2.gz GFHPOAWQKLEHLY-QWRGUYRKSA-N -1 0 368.390 -0.854 20 0 FBADRM C[C@@H](C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1)N1C(=O)CCC1=O ZINC000738612350 602143149 /nfs/dbraw/zinc/14/31/49/602143149.db2.gz GFHPOAWQKLEHLY-WDEREUQCSA-N -1 0 368.390 -0.854 20 0 FBADRM Cc1ccc(NC(=O)C(=O)NCCCCC(=O)[O-])cc1S(N)(=O)=O ZINC000738614162 600315488 /nfs/dbraw/zinc/31/54/88/600315488.db2.gz FHJORVNVHNXKTD-UHFFFAOYSA-N -1 0 357.388 -0.048 20 0 FBADRM O=C([O-])COc1cccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)c1 ZINC000738614638 600350838 /nfs/dbraw/zinc/35/08/38/600350838.db2.gz CHCQPDDZEBGUJD-UHFFFAOYSA-N -1 0 363.326 -0.646 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000738615171 600309969 /nfs/dbraw/zinc/30/99/69/600309969.db2.gz KTUDMGPLSZMYFF-SECBINFHSA-N -1 0 355.372 -0.486 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000738615174 600309829 /nfs/dbraw/zinc/30/98/29/600309829.db2.gz KTUDMGPLSZMYFF-VIFPVBQESA-N -1 0 355.372 -0.486 20 0 FBADRM Cc1ccc(NC(=O)C(=O)NCCSCC(=O)[O-])cc1-n1cnnn1 ZINC000738615189 599910261 /nfs/dbraw/zinc/91/02/61/599910261.db2.gz LJCQWHOGMIULPC-UHFFFAOYSA-N -1 0 364.387 -0.157 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1-n1cnnn1 ZINC000738615244 600055811 /nfs/dbraw/zinc/05/58/11/600055811.db2.gz MFAOQYBJFBGTGN-GFCCVEGCSA-N -1 0 360.330 -0.779 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1-n1cnnn1 ZINC000738615247 600055817 /nfs/dbraw/zinc/05/58/17/600055817.db2.gz MFAOQYBJFBGTGN-LBPRGKRZSA-N -1 0 360.330 -0.779 20 0 FBADRM C[C@H](C(=O)N1CCC(C(N)=O)CC1)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000738615694 602868862 /nfs/dbraw/zinc/86/88/62/602868862.db2.gz OJLRJXYDLBPAFK-CYBMUJFWSA-N -1 0 369.466 -0.674 20 0 FBADRM C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000738615697 602869103 /nfs/dbraw/zinc/86/91/03/602869103.db2.gz OJLRJXYDLBPAFK-ZDUSSCGKSA-N -1 0 369.466 -0.674 20 0 FBADRM O=C([O-])COc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000738616865 600655300 /nfs/dbraw/zinc/65/53/00/600655300.db2.gz OCNDQJUWIYLYHB-UHFFFAOYSA-N -1 0 356.356 -0.655 20 0 FBADRM C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000738617748 602874424 /nfs/dbraw/zinc/87/44/24/602874424.db2.gz RMCQGRUZEPBELW-KBPBESRZSA-N -1 0 369.466 -0.674 20 0 FBADRM C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000738617760 602874656 /nfs/dbraw/zinc/87/46/56/602874656.db2.gz RMCQGRUZEPBELW-KGLIPLIRSA-N -1 0 369.466 -0.674 20 0 FBADRM C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000738617763 602874356 /nfs/dbraw/zinc/87/43/56/602874356.db2.gz RMCQGRUZEPBELW-UONOGXRCSA-N -1 0 369.466 -0.674 20 0 FBADRM C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000738617771 602874944 /nfs/dbraw/zinc/87/49/44/602874944.db2.gz RMCQGRUZEPBELW-ZIAGYGMSSA-N -1 0 369.466 -0.674 20 0 FBADRM O=C([O-])COc1cccc(NC(=O)C(=O)NC[C@H](O)C2CCOCC2)c1 ZINC000738617829 600351054 /nfs/dbraw/zinc/35/10/54/600351054.db2.gz WRMHASIYMIEAND-AWEZNQCLSA-N -1 0 366.370 -0.008 20 0 FBADRM O=C([O-])COc1cccc(NC(=O)C(=O)NC[C@@H](O)C2CCOCC2)c1 ZINC000738617830 600351103 /nfs/dbraw/zinc/35/11/03/600351103.db2.gz WRMHASIYMIEAND-CQSZACIVSA-N -1 0 366.370 -0.008 20 0 FBADRM C[C@@H](C(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1)N1CCN(C)CC1 ZINC000738619029 602027544 /nfs/dbraw/zinc/02/75/44/602027544.db2.gz WMEYLAIZWHQDQG-KBPBESRZSA-N -1 0 369.466 -0.755 20 0 FBADRM C[C@H](C(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1)N1CCN(C)CC1 ZINC000738619031 602027565 /nfs/dbraw/zinc/02/75/65/602027565.db2.gz WMEYLAIZWHQDQG-KGLIPLIRSA-N -1 0 369.466 -0.755 20 0 FBADRM C[C@@H](C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1)N1CCN(C)CC1 ZINC000738619032 602027348 /nfs/dbraw/zinc/02/73/48/602027348.db2.gz WMEYLAIZWHQDQG-UONOGXRCSA-N -1 0 369.466 -0.755 20 0 FBADRM C[C@H](C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1)N1CCN(C)CC1 ZINC000738619033 602027483 /nfs/dbraw/zinc/02/74/83/602027483.db2.gz WMEYLAIZWHQDQG-ZIAGYGMSSA-N -1 0 369.466 -0.755 20 0 FBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NCCCN2C(=O)CCC2=O)c1 ZINC000738619797 602129660 /nfs/dbraw/zinc/12/96/60/602129660.db2.gz BFMVSJDNQOKLEK-UHFFFAOYSA-N -1 0 361.354 -0.093 20 0 FBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)N2CCO[C@H](Cn3cncn3)C2)c1 ZINC000738619805 602128532 /nfs/dbraw/zinc/12/85/32/602128532.db2.gz BKTOCMLHOWKMNI-AWEZNQCLSA-N -1 0 373.369 -0.229 20 0 FBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](Cn3cncn3)C2)c1 ZINC000738619806 602128094 /nfs/dbraw/zinc/12/80/94/602128094.db2.gz BKTOCMLHOWKMNI-CQSZACIVSA-N -1 0 373.369 -0.229 20 0 FBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)c1 ZINC000738620273 602127237 /nfs/dbraw/zinc/12/72/37/602127237.db2.gz LWZHLVNBEDUHBC-UHFFFAOYSA-N -1 0 362.342 -0.690 20 0 FBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)c1 ZINC000738620496 602117425 /nfs/dbraw/zinc/11/74/25/602117425.db2.gz RURMETVHKLFKDX-UHFFFAOYSA-N -1 0 363.370 -0.383 20 0 FBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000738620738 602833386 /nfs/dbraw/zinc/83/33/86/602833386.db2.gz XIAFFXMPVAGOOT-AAEUAGOBSA-N -1 0 354.407 -0.824 20 0 FBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000738620739 602833710 /nfs/dbraw/zinc/83/37/10/602833710.db2.gz XIAFFXMPVAGOOT-DGCLKSJQSA-N -1 0 354.407 -0.824 20 0 FBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000738620740 602833342 /nfs/dbraw/zinc/83/33/42/602833342.db2.gz XIAFFXMPVAGOOT-WCQYABFASA-N -1 0 354.407 -0.824 20 0 FBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000738620741 602833757 /nfs/dbraw/zinc/83/37/57/602833757.db2.gz XIAFFXMPVAGOOT-YPMHNXCESA-N -1 0 354.407 -0.824 20 0 FBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)c1 ZINC000738620970 602124425 /nfs/dbraw/zinc/12/44/25/602124425.db2.gz HGIORXXBGIRTMW-UHFFFAOYSA-N -1 0 369.399 -0.596 20 0 FBADRM C[C@H](C(=O)NC[C@H]1CCCO1)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738621765 603235140 /nfs/dbraw/zinc/23/51/40/603235140.db2.gz AIVGRLZVLICRDM-CHWSQXEVSA-N -1 0 356.423 -0.576 20 0 FBADRM C[C@H](C(=O)NC[C@@H]1CCCO1)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738621769 603235329 /nfs/dbraw/zinc/23/53/29/603235329.db2.gz AIVGRLZVLICRDM-OLZOCXBDSA-N -1 0 356.423 -0.576 20 0 FBADRM C[C@@H](C(=O)NC[C@H]1CCCO1)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738621775 603235702 /nfs/dbraw/zinc/23/57/02/603235702.db2.gz AIVGRLZVLICRDM-QWHCGFSZSA-N -1 0 356.423 -0.576 20 0 FBADRM C[C@@H](C(=O)NC[C@@H]1CCCO1)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738621779 603235229 /nfs/dbraw/zinc/23/52/29/603235229.db2.gz AIVGRLZVLICRDM-STQMWFEESA-N -1 0 356.423 -0.576 20 0 FBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000738624494 602585591 /nfs/dbraw/zinc/58/55/91/602585591.db2.gz LGEPHXSFRQHUKF-AAEUAGOBSA-N -1 0 353.423 -0.267 20 0 FBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000738624495 602585547 /nfs/dbraw/zinc/58/55/47/602585547.db2.gz LGEPHXSFRQHUKF-DGCLKSJQSA-N -1 0 353.423 -0.267 20 0 FBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000738624497 602585423 /nfs/dbraw/zinc/58/54/23/602585423.db2.gz LGEPHXSFRQHUKF-WCQYABFASA-N -1 0 353.423 -0.267 20 0 FBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000738624499 602585949 /nfs/dbraw/zinc/58/59/49/602585949.db2.gz LGEPHXSFRQHUKF-YPMHNXCESA-N -1 0 353.423 -0.267 20 0 FBADRM C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000738624513 602665641 /nfs/dbraw/zinc/66/56/41/602665641.db2.gz LLUVKNARFUKDDV-CYBMUJFWSA-N -1 0 370.450 -0.138 20 0 FBADRM C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000738624517 602665604 /nfs/dbraw/zinc/66/56/04/602665604.db2.gz LLUVKNARFUKDDV-ZDUSSCGKSA-N -1 0 370.450 -0.138 20 0 FBADRM O=C([O-])Cc1cccc(NCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000738624896 601967982 /nfs/dbraw/zinc/96/79/82/601967982.db2.gz KHPLYKVTJVQFNO-GFCCVEGCSA-N -1 0 369.399 -0.262 20 0 FBADRM O=C([O-])Cc1cccc(NCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000738624897 601968035 /nfs/dbraw/zinc/96/80/35/601968035.db2.gz KHPLYKVTJVQFNO-LBPRGKRZSA-N -1 0 369.399 -0.262 20 0 FBADRM Cc1ccc(NC(=O)COC(=O)CCNC(=O)[O-])cc1S(N)(=O)=O ZINC000738626082 600199424 /nfs/dbraw/zinc/19/94/24/600199424.db2.gz PFGCJNADNXYXJC-UHFFFAOYSA-N -1 0 359.360 -0.218 20 0 FBADRM Cc1ccc(NC(=O)COC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1S(N)(=O)=O ZINC000738626084 600175792 /nfs/dbraw/zinc/17/57/92/600175792.db2.gz PGDNKRBLGCVEOC-NXEZZACHSA-N -1 0 356.356 -0.155 20 0 FBADRM Cc1ccc(NC(=O)COC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1S(N)(=O)=O ZINC000738626087 600175648 /nfs/dbraw/zinc/17/56/48/600175648.db2.gz PGDNKRBLGCVEOC-UWVGGRQHSA-N -1 0 356.356 -0.155 20 0 FBADRM Cc1ccc(NC(=O)COC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1S(N)(=O)=O ZINC000738626091 600175850 /nfs/dbraw/zinc/17/58/50/600175850.db2.gz PGDNKRBLGCVEOC-VHSXEESVSA-N -1 0 356.356 -0.155 20 0 FBADRM Cc1ccc(NC(=O)COC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1S(N)(=O)=O ZINC000738626093 600175849 /nfs/dbraw/zinc/17/58/49/600175849.db2.gz PGDNKRBLGCVEOC-ZJUUUORDSA-N -1 0 356.356 -0.155 20 0 FBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000738627344 602360158 /nfs/dbraw/zinc/36/01/58/602360158.db2.gz YFZYNRNXHIMMSV-CMPLNLGQSA-N -1 0 356.448 -0.149 20 0 FBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000738627347 602360698 /nfs/dbraw/zinc/36/06/98/602360698.db2.gz YFZYNRNXHIMMSV-ZYHUDNBSSA-N -1 0 356.448 -0.149 20 0 FBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCCCN(C)C(=O)[O-])CC1 ZINC000738627586 602673582 /nfs/dbraw/zinc/67/35/82/602673582.db2.gz YUDXEFMFUDSBCP-GFCCVEGCSA-N -1 0 355.439 -0.019 20 0 FBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCCCN(C)C(=O)[O-])CC1 ZINC000738627588 602673426 /nfs/dbraw/zinc/67/34/26/602673426.db2.gz YUDXEFMFUDSBCP-LBPRGKRZSA-N -1 0 355.439 -0.019 20 0 FBADRM O=C([O-])Cc1csc(NC(=O)N(CCO)CCN2CCOCC2)n1 ZINC000738631583 599958535 /nfs/dbraw/zinc/95/85/35/599958535.db2.gz IWTRNZWWQUUIQZ-UHFFFAOYSA-N -1 0 358.420 -0.071 20 0 FBADRM C[C@H](C(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1)n1cncn1 ZINC000738632233 597045754 /nfs/dbraw/zinc/04/57/54/597045754.db2.gz RFGOBDJMBFHIGT-SECBINFHSA-N -1 0 360.330 -0.383 20 0 FBADRM C[C@@H](C(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1)n1cncn1 ZINC000738632234 597045916 /nfs/dbraw/zinc/04/59/16/597045916.db2.gz RFGOBDJMBFHIGT-VIFPVBQESA-N -1 0 360.330 -0.383 20 0 FBADRM O=C([O-])Cc1csc(NC(=O)CN2CCO[C@@H](Cn3cncn3)C2)n1 ZINC000738632401 599972583 /nfs/dbraw/zinc/97/25/83/599972583.db2.gz RKCTVPPTTSWLIZ-LLVKDONJSA-N -1 0 366.403 -0.299 20 0 FBADRM O=C([O-])Cc1csc(NC(=O)CN2CCO[C@H](Cn3cncn3)C2)n1 ZINC000738632402 599972674 /nfs/dbraw/zinc/97/26/74/599972674.db2.gz RKCTVPPTTSWLIZ-NSHDSACASA-N -1 0 366.403 -0.299 20 0 FBADRM C[C@H](C(=O)Nc1ncccn1)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738636217 602264364 /nfs/dbraw/zinc/26/43/64/602264364.db2.gz CPDUZKWPGVNTDD-LLVKDONJSA-N -1 0 350.379 -0.442 20 0 FBADRM C[C@@H](C(=O)Nc1ncccn1)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738636223 602264300 /nfs/dbraw/zinc/26/43/00/602264300.db2.gz CPDUZKWPGVNTDD-NSHDSACASA-N -1 0 350.379 -0.442 20 0 FBADRM O=C([O-])N1CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000738644183 603347816 /nfs/dbraw/zinc/34/78/16/603347816.db2.gz IELQFBQUXZBTQP-UHFFFAOYSA-N -1 0 366.378 -0.431 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1 ZINC000738644817 603313879 /nfs/dbraw/zinc/31/38/79/603313879.db2.gz KISPHLMAILDCOF-GFCCVEGCSA-N -1 0 363.374 -0.001 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1 ZINC000738644820 603313751 /nfs/dbraw/zinc/31/37/51/603313751.db2.gz KISPHLMAILDCOF-LBPRGKRZSA-N -1 0 363.374 -0.001 20 0 FBADRM O=C([O-])N1CCN(C(=O)CN2C(=O)NC3(CCSCC3)C2=O)CC1 ZINC000738645728 602264186 /nfs/dbraw/zinc/26/41/86/602264186.db2.gz PYPGIWDMCSLZSI-UHFFFAOYSA-N -1 0 356.404 -0.374 20 0 FBADRM O=C([O-])N1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000738645874 602491868 /nfs/dbraw/zinc/49/18/68/602491868.db2.gz SKKITCQXNJRXHP-AWEZNQCLSA-N -1 0 368.434 -0.478 20 0 FBADRM O=C([O-])N1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000738645875 602491906 /nfs/dbraw/zinc/49/19/06/602491906.db2.gz SKKITCQXNJRXHP-CQSZACIVSA-N -1 0 368.434 -0.478 20 0 FBADRM O=C([O-])N[C@H]1CCCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)C1 ZINC000738646444 603398043 /nfs/dbraw/zinc/39/80/43/603398043.db2.gz CJQRUKMZSQAZJZ-JTQLQIEISA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N[C@@H]1CCCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)C1 ZINC000738646445 603398440 /nfs/dbraw/zinc/39/84/40/603398440.db2.gz CJQRUKMZSQAZJZ-SNVBAGLBSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000738647679 602545460 /nfs/dbraw/zinc/54/54/60/602545460.db2.gz OFIXYZVCAAQTPP-UHFFFAOYSA-N -1 0 366.465 -0.630 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1 ZINC000738647691 602230267 /nfs/dbraw/zinc/23/02/67/602230267.db2.gz OUEYZGOANZRMFP-UHFFFAOYSA-N -1 0 369.399 -0.183 20 0 FBADRM CC(C)(C(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1)S(C)(=O)=O ZINC000738647831 602780036 /nfs/dbraw/zinc/78/00/36/602780036.db2.gz HLODUWCKCRGRTH-JTQLQIEISA-N -1 0 363.436 -0.568 20 0 FBADRM CC(C)(C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1)S(C)(=O)=O ZINC000738647832 602779871 /nfs/dbraw/zinc/77/98/71/602779871.db2.gz HLODUWCKCRGRTH-SNVBAGLBSA-N -1 0 363.436 -0.568 20 0 FBADRM CC(C)(C(=O)NC1CCN(CC(N)=O)CC1)N1CCN(C(=O)[O-])CC1 ZINC000738648284 603110209 /nfs/dbraw/zinc/11/02/09/603110209.db2.gz JGGLWXQRDINCCQ-UHFFFAOYSA-N -1 0 355.439 -0.874 20 0 FBADRM CC(C)(C(=O)N1CCN(S(C)(=O)=O)CC1)N1CCN(C(=O)[O-])CC1 ZINC000738648467 603107718 /nfs/dbraw/zinc/10/77/18/603107718.db2.gz LJSJSVJMQLECAC-UHFFFAOYSA-N -1 0 362.452 -0.836 20 0 FBADRM O=C([O-])N[C@@H]1CCCN(C(=O)COCC(=O)NCc2cccnc2)C1 ZINC000738649127 602673822 /nfs/dbraw/zinc/67/38/22/602673822.db2.gz DFYNRPSQUJIUQE-CYBMUJFWSA-N -1 0 350.375 -0.027 20 0 FBADRM O=C([O-])N[C@H]1CCCN(C(=O)COCC(=O)NCc2cccnc2)C1 ZINC000738649131 602673805 /nfs/dbraw/zinc/67/38/05/602673805.db2.gz DFYNRPSQUJIUQE-ZDUSSCGKSA-N -1 0 350.375 -0.027 20 0 FBADRM CC(C)(C(=O)NCC(=O)NCC(F)(F)F)N1CCN(C(=O)[O-])CC1 ZINC000738649467 603077748 /nfs/dbraw/zinc/07/77/48/603077748.db2.gz QIRQZBWKJJINQQ-UHFFFAOYSA-N -1 0 354.329 -0.145 20 0 FBADRM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000738650075 602828371 /nfs/dbraw/zinc/82/83/71/602828371.db2.gz GFALHJPCMLJVOP-AEJSXWLSSA-N -1 0 367.406 -0.690 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000738650078 602828452 /nfs/dbraw/zinc/82/84/52/602828452.db2.gz GFALHJPCMLJVOP-KXUCPTDWSA-N -1 0 367.406 -0.690 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000738650082 602828315 /nfs/dbraw/zinc/82/83/15/602828315.db2.gz GFALHJPCMLJVOP-LPEHRKFASA-N -1 0 367.406 -0.690 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1 ZINC000738650085 602828220 /nfs/dbraw/zinc/82/82/20/602828220.db2.gz GFALHJPCMLJVOP-OPRDCNLKSA-N -1 0 367.406 -0.690 20 0 FBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000738650093 602961156 /nfs/dbraw/zinc/96/11/56/602961156.db2.gz GIFUQGGQLGLGAD-NEPJUHHUSA-N -1 0 364.468 -0.255 20 0 FBADRM C[C@H]([C@H](C)N(C)C(=O)NCCN1CCN(C(=O)[O-])CC1)S(C)(=O)=O ZINC000738650094 602961287 /nfs/dbraw/zinc/96/12/87/602961287.db2.gz GIFUQGGQLGLGAD-NWDGAFQWSA-N -1 0 364.468 -0.255 20 0 FBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000738650097 602961303 /nfs/dbraw/zinc/96/13/03/602961303.db2.gz GIFUQGGQLGLGAD-RYUDHWBXSA-N -1 0 364.468 -0.255 20 0 FBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000738650100 602961019 /nfs/dbraw/zinc/96/10/19/602961019.db2.gz GIFUQGGQLGLGAD-VXGBXAGGSA-N -1 0 364.468 -0.255 20 0 FBADRM O=C([O-])NCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000738650471 602729265 /nfs/dbraw/zinc/72/92/65/602729265.db2.gz CVGNVWMTPBZHFG-GFCCVEGCSA-N -1 0 364.406 -0.334 20 0 FBADRM O=C([O-])NCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000738650473 602729230 /nfs/dbraw/zinc/72/92/30/602729230.db2.gz CVGNVWMTPBZHFG-LBPRGKRZSA-N -1 0 364.406 -0.334 20 0 FBADRM O=C([O-])NCC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000738650543 602856409 /nfs/dbraw/zinc/85/64/09/602856409.db2.gz GVIWFPPUNYRFRH-UHFFFAOYSA-N -1 0 350.379 -0.771 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738650695 601978331 /nfs/dbraw/zinc/97/83/31/601978331.db2.gz HZTGRYHESBQXAH-NXEZZACHSA-N -1 0 367.406 -0.688 20 0 FBADRM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738650696 601979843 /nfs/dbraw/zinc/97/98/43/601979843.db2.gz HZTGRYHESBQXAH-UWVGGRQHSA-N -1 0 367.406 -0.688 20 0 FBADRM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738650697 601979803 /nfs/dbraw/zinc/97/98/03/601979803.db2.gz HZTGRYHESBQXAH-VHSXEESVSA-N -1 0 367.406 -0.688 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738650698 601979826 /nfs/dbraw/zinc/97/98/26/601979826.db2.gz HZTGRYHESBQXAH-ZJUUUORDSA-N -1 0 367.406 -0.688 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738651288 602539503 /nfs/dbraw/zinc/53/95/03/602539503.db2.gz KSGQAAMCKAAPEH-NXEZZACHSA-N -1 0 367.406 -0.831 20 0 FBADRM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738651289 602539330 /nfs/dbraw/zinc/53/93/30/602539330.db2.gz KSGQAAMCKAAPEH-UWVGGRQHSA-N -1 0 367.406 -0.831 20 0 FBADRM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738651290 602539246 /nfs/dbraw/zinc/53/92/46/602539246.db2.gz KSGQAAMCKAAPEH-VHSXEESVSA-N -1 0 367.406 -0.831 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738651291 602539695 /nfs/dbraw/zinc/53/96/95/602539695.db2.gz KSGQAAMCKAAPEH-ZJUUUORDSA-N -1 0 367.406 -0.831 20 0 FBADRM O=C([O-])NCCC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000738651308 602819284 /nfs/dbraw/zinc/81/92/84/602819284.db2.gz ALWJBWZSMLUZCO-UHFFFAOYSA-N -1 0 364.406 -0.381 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCCC(=O)N[C@H](CO)C(=O)[O-])cc1C ZINC000738651740 599744592 /nfs/dbraw/zinc/74/45/92/599744592.db2.gz GKIRVUYTQVMYBZ-CYBMUJFWSA-N -1 0 358.416 -0.076 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCCC(=O)N[C@@H](CO)C(=O)[O-])cc1C ZINC000738651742 599744598 /nfs/dbraw/zinc/74/45/98/599744598.db2.gz GKIRVUYTQVMYBZ-ZDUSSCGKSA-N -1 0 358.416 -0.076 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCN(CC(=O)OCC(=O)[O-])CC2)cc1 ZINC000738652109 600735734 /nfs/dbraw/zinc/73/57/34/600735734.db2.gz FGYNDFJLHMEZGA-UHFFFAOYSA-N -1 0 356.400 -0.071 20 0 FBADRM O=C([O-])NCC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000738652613 602677183 /nfs/dbraw/zinc/67/71/83/602677183.db2.gz UXBKBNWFWYCXLR-UHFFFAOYSA-N -1 0 352.366 -0.033 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCCn3nc(C(=O)[O-])nc32)cc1C(N)=O ZINC000738653630 599865135 /nfs/dbraw/zinc/86/51/35/599865135.db2.gz ZGWPFVPXNOMURI-UHFFFAOYSA-N -1 0 365.371 -0.017 20 0 FBADRM O=C([O-])NCCC(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000738654071 602262843 /nfs/dbraw/zinc/26/28/43/602262843.db2.gz PUNWHLFRGQPHTR-UHFFFAOYSA-N -1 0 359.390 -0.036 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H](CO)C(=O)[O-])C(C)C)cc1 ZINC000738654888 599743716 /nfs/dbraw/zinc/74/37/16/599743716.db2.gz MBELTPNKSVTBEJ-OLZOCXBDSA-N -1 0 358.416 -0.140 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)[O-])C(C)C)cc1 ZINC000738654891 599743749 /nfs/dbraw/zinc/74/37/49/599743749.db2.gz MBELTPNKSVTBEJ-STQMWFEESA-N -1 0 358.416 -0.140 20 0 FBADRM O=C([O-])NCCC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000738656233 602251294 /nfs/dbraw/zinc/25/12/94/602251294.db2.gz BZFOHZXLMHUCPV-UHFFFAOYSA-N -1 0 350.379 -0.711 20 0 FBADRM CC(C)(C(=O)NCCN1CCCS1(=O)=O)N1CCN(C(=O)[O-])CC1 ZINC000738658800 603090270 /nfs/dbraw/zinc/09/02/70/603090270.db2.gz BWEGUWLWVJDXHC-UHFFFAOYSA-N -1 0 362.452 -0.788 20 0 FBADRM CC(C)(C(=O)NCCN1C(=O)CSC1=O)N1CCN(C(=O)[O-])CC1 ZINC000738658835 603134751 /nfs/dbraw/zinc/13/47/51/603134751.db2.gz DHVYCAPAEDSSIB-UHFFFAOYSA-N -1 0 358.420 -0.128 20 0 FBADRM CC(C)(C(=O)NCCCN1C(=O)CNC1=O)N1CCN(C(=O)[O-])CC1 ZINC000738659484 603176685 /nfs/dbraw/zinc/17/66/85/603176685.db2.gz MWQLMDVSJGBLER-UHFFFAOYSA-N -1 0 355.395 -0.881 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000738659801 599986285 /nfs/dbraw/zinc/98/62/85/599986285.db2.gz GBLOGFMAJDVXFY-LLVKDONJSA-N -1 0 355.372 -0.942 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000738659803 599986259 /nfs/dbraw/zinc/98/62/59/599986259.db2.gz GBLOGFMAJDVXFY-NSHDSACASA-N -1 0 355.372 -0.942 20 0 FBADRM CC(C)(C(=O)NCCOCCS(C)(=O)=O)N1CCN(C(=O)[O-])CC1 ZINC000738659892 603223556 /nfs/dbraw/zinc/22/35/56/603223556.db2.gz TVSNKWPVMLTFPM-UHFFFAOYSA-N -1 0 365.452 -0.762 20 0 FBADRM CC(C)(C(=O)NCCCN1C(=O)CCC1=O)N1CCN(C(=O)[O-])CC1 ZINC000738659977 603095349 /nfs/dbraw/zinc/09/53/49/603095349.db2.gz WIMXKNYWWXBZDE-UHFFFAOYSA-N -1 0 354.407 -0.284 20 0 FBADRM CC(C)(C(=O)OCC(=O)NC1CCOCC1)N1CCN(C(=O)[O-])CC1 ZINC000738660868 603278502 /nfs/dbraw/zinc/27/85/02/603278502.db2.gz FDGSGGXSGRSZQB-UHFFFAOYSA-N -1 0 357.407 -0.101 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000738660916 600055223 /nfs/dbraw/zinc/05/52/23/600055223.db2.gz ZNBHVIFLDWVDJG-GFCCVEGCSA-N -1 0 370.383 -0.351 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000738660917 600054152 /nfs/dbraw/zinc/05/41/52/600054152.db2.gz ZNBHVIFLDWVDJG-LBPRGKRZSA-N -1 0 370.383 -0.351 20 0 FBADRM O=C([O-])Nc1ccc(C(=O)NCC(=O)NCCN2CCOCC2)cc1 ZINC000738661522 600273557 /nfs/dbraw/zinc/27/35/57/600273557.db2.gz MAHFGNAVNMIJDI-UHFFFAOYSA-N -1 0 350.375 -0.045 20 0 FBADRM CC(C)(C(=O)Nc1ccn(CCC(N)=O)n1)N1CCN(C(=O)[O-])CC1 ZINC000738661850 603179932 /nfs/dbraw/zinc/17/99/32/603179932.db2.gz JTSDXERADNBMDA-UHFFFAOYSA-N -1 0 352.395 -0.229 20 0 FBADRM CC(C)(C(=O)OCC(=O)NC(=O)NC1CC1)N1CCN(C(=O)[O-])CC1 ZINC000738662469 603276829 /nfs/dbraw/zinc/27/68/29/603276829.db2.gz USIXEKPOQZBSCU-UHFFFAOYSA-N -1 0 356.379 -0.408 20 0 FBADRM CC(C)(C(=O)OCC(=O)NC[C@H]1CCCO1)N1CCN(C(=O)[O-])CC1 ZINC000738662914 603280941 /nfs/dbraw/zinc/28/09/41/603280941.db2.gz WJYTWNHJWXFDMF-GFCCVEGCSA-N -1 0 357.407 -0.101 20 0 FBADRM CC(C)(C(=O)OCC(=O)NC[C@@H]1CCCO1)N1CCN(C(=O)[O-])CC1 ZINC000738662915 603280581 /nfs/dbraw/zinc/28/05/81/603280581.db2.gz WJYTWNHJWXFDMF-LBPRGKRZSA-N -1 0 357.407 -0.101 20 0 FBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)cc1 ZINC000738665870 603416187 /nfs/dbraw/zinc/41/61/87/603416187.db2.gz UKSVFQACXJIJSD-UHFFFAOYSA-N -1 0 363.330 -0.227 20 0 FBADRM CC(C)(C)C(=O)N1CCC(NC(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000738667104 603016445 /nfs/dbraw/zinc/01/64/45/603016445.db2.gz WLUJDSNQWAVFSC-UHFFFAOYSA-N -1 0 368.434 -0.038 20 0 FBADRM CC(C)(C(=O)OCCCN1C(=O)CNC1=O)N1CCN(C(=O)[O-])CC1 ZINC000738667307 603280920 /nfs/dbraw/zinc/28/09/20/603280920.db2.gz XMBOFSCKUHAKRZ-UHFFFAOYSA-N -1 0 356.379 -0.454 20 0 FBADRM Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN3C[C@H](O)C[C@H]3C(=O)[O-])n12 ZINC000738671578 600140725 /nfs/dbraw/zinc/14/07/25/600140725.db2.gz ZOBIPTTYRCVSBR-MFKMUULPSA-N -1 0 357.370 -0.091 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NCCCN2C(=O)CNC2=O)ccc1F ZINC000738673160 601240552 /nfs/dbraw/zinc/24/05/52/601240552.db2.gz IJHHICHFQOQMCN-UHFFFAOYSA-N -1 0 359.335 -0.256 20 0 FBADRM CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000738673619 603026139 /nfs/dbraw/zinc/02/61/39/603026139.db2.gz KUVLZKOOGQKEND-GFCCVEGCSA-N -1 0 368.434 -0.038 20 0 FBADRM CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000738673621 603026343 /nfs/dbraw/zinc/02/63/43/603026343.db2.gz KUVLZKOOGQKEND-LBPRGKRZSA-N -1 0 368.434 -0.038 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NCCS(=O)(=O)NC2CC2)ccc1F ZINC000738674457 601215393 /nfs/dbraw/zinc/21/53/93/601215393.db2.gz YEDCWMKUELMQTL-UHFFFAOYSA-N -1 0 366.392 -0.116 20 0 FBADRM CC(C)(C)C(=O)N1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000738674622 603014829 /nfs/dbraw/zinc/01/48/29/603014829.db2.gz QGZORARRDDFPGY-UHFFFAOYSA-N -1 0 354.407 -0.475 20 0 FBADRM Cc1ccc2ncc(C(=O)N(CCN3CCOCC3)CC(=O)[O-])c(=O)n2c1 ZINC000738677139 600267351 /nfs/dbraw/zinc/26/73/51/600267351.db2.gz LYZFZLIYXVSUQE-UHFFFAOYSA-N -1 0 374.397 -0.138 20 0 FBADRM CC(C)(C)CC(=O)N1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000738682635 603014814 /nfs/dbraw/zinc/01/48/14/603014814.db2.gz OVFRSYKDNSMZTH-UHFFFAOYSA-N -1 0 368.434 -0.084 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN(CCOCCO)CC2)cc1 ZINC000738689292 847929063 /nfs/dbraw/zinc/92/90/63/847929063.db2.gz JHUHCEHRTQNXGB-UHFFFAOYSA-N -1 0 358.416 -0.300 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN(CCn3cncn3)CC2)cc1 ZINC000738690337 847929579 /nfs/dbraw/zinc/92/95/79/847929579.db2.gz XYGSDJIIIQCJCN-UHFFFAOYSA-N -1 0 365.415 -0.017 20 0 FBADRM CC(C)(C)NC(=O)CCNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738699489 602256048 /nfs/dbraw/zinc/25/60/48/602256048.db2.gz BECOHMAVWDBMFY-UHFFFAOYSA-N -1 0 357.411 -0.587 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000738700845 603013396 /nfs/dbraw/zinc/01/33/96/603013396.db2.gz AUISGYWSWXHQOB-UHFFFAOYSA-N -1 0 370.406 -0.112 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2CCN(C(=O)[O-])C2)C(=O)C1 ZINC000738700887 603003932 /nfs/dbraw/zinc/00/39/32/603003932.db2.gz BHTMZFLMVZHNSP-LLVKDONJSA-N -1 0 370.406 -0.066 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@H]2CCN(C(=O)[O-])C2)C(=O)C1 ZINC000738700890 603003639 /nfs/dbraw/zinc/00/36/39/603003639.db2.gz BHTMZFLMVZHNSP-NSHDSACASA-N -1 0 370.406 -0.066 20 0 FBADRM CC(C)(C)NC(=O)NC(=O)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000738701509 603294494 /nfs/dbraw/zinc/29/44/94/603294494.db2.gz RPRYULVSLUZUFW-UHFFFAOYSA-N -1 0 369.378 -0.325 20 0 FBADRM CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000738701550 604366026 /nfs/dbraw/zinc/36/60/26/604366026.db2.gz SNLLVLVUWHUVRD-CYBMUJFWSA-N -1 0 369.466 -0.613 20 0 FBADRM CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000738701554 605910038 /nfs/dbraw/zinc/91/00/38/605910038.db2.gz SNLLVLVUWHUVRD-ZDUSSCGKSA-N -1 0 369.466 -0.613 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)NCCCNC(=O)[O-])C(=O)C1 ZINC000738701819 603023992 /nfs/dbraw/zinc/02/39/92/603023992.db2.gz GXPBPPZQLQJXBR-UHFFFAOYSA-N -1 0 358.395 -0.160 20 0 FBADRM CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738702150 603003645 /nfs/dbraw/zinc/00/36/45/603003645.db2.gz UTPMFUGSWKGGGL-JTQLQIEISA-N -1 0 372.447 -0.375 20 0 FBADRM CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738702151 603003668 /nfs/dbraw/zinc/00/36/68/603003668.db2.gz UTPMFUGSWKGGGL-SNVBAGLBSA-N -1 0 372.447 -0.375 20 0 FBADRM CC(C)(C)OC(=O)CNC(=O)c1cc(S(=O)(=O)NCC(=O)[O-])c[nH]1 ZINC000738703081 597028001 /nfs/dbraw/zinc/02/80/01/597028001.db2.gz AGPDUONEEKNCBV-UHFFFAOYSA-N -1 0 361.376 -0.551 20 0 FBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000738703330 603393938 /nfs/dbraw/zinc/39/39/38/603393938.db2.gz GZKHGGQGDMGPLM-LLVKDONJSA-N -1 0 365.452 -0.021 20 0 FBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000738703332 603393860 /nfs/dbraw/zinc/39/38/60/603393860.db2.gz GZKHGGQGDMGPLM-NSHDSACASA-N -1 0 365.452 -0.021 20 0 FBADRM CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000738703360 597043043 /nfs/dbraw/zinc/04/30/43/597043043.db2.gz IIQCAQIDEDLSNS-UHFFFAOYSA-N -1 0 357.388 -0.097 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)NC2CN(C(=O)[O-])C2)C(=O)C1 ZINC000738703449 603029772 /nfs/dbraw/zinc/02/97/72/603029772.db2.gz MSELOXWVAVIDEZ-UHFFFAOYSA-N -1 0 356.379 -0.456 20 0 FBADRM Cc1cccc(C[C@H](CNC(=O)CN2C(=O)C(=O)N(C)C2=O)C(=O)[O-])c1 ZINC000738703784 600589928 /nfs/dbraw/zinc/58/99/28/600589928.db2.gz PEBOJPDZXNXYKB-GFCCVEGCSA-N -1 0 361.354 -0.225 20 0 FBADRM Cc1cccc(C[C@@H](CNC(=O)CN2C(=O)C(=O)N(C)C2=O)C(=O)[O-])c1 ZINC000738703789 600589913 /nfs/dbraw/zinc/58/99/13/600589913.db2.gz PEBOJPDZXNXYKB-LBPRGKRZSA-N -1 0 361.354 -0.225 20 0 FBADRM CC(C)(C)OC(=O)N1CC(NC(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000738704318 603029774 /nfs/dbraw/zinc/02/97/74/603029774.db2.gz HUZBCVYPJFPBPF-UHFFFAOYSA-N -1 0 356.379 -0.456 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@@H](NC(=O)[O-])C2)C(=O)C1 ZINC000738705372 604475477 /nfs/dbraw/zinc/47/54/77/604475477.db2.gz YHCCUMNDXRWBKL-LLVKDONJSA-N -1 0 370.406 -0.066 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@H](NC(=O)[O-])C2)C(=O)C1 ZINC000738705375 605070536 /nfs/dbraw/zinc/07/05/36/605070536.db2.gz YHCCUMNDXRWBKL-NSHDSACASA-N -1 0 370.406 -0.066 20 0 FBADRM CC(C)(C)OC(=O)CNS(=O)(=O)c1c[nH]c(C(=O)NCC(=O)[O-])c1 ZINC000738706701 597027988 /nfs/dbraw/zinc/02/79/88/597027988.db2.gz YWMDWXXBIVJOBM-UHFFFAOYSA-N -1 0 361.376 -0.551 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000738707598 602572397 /nfs/dbraw/zinc/57/23/97/602572397.db2.gz JZBVNLTXUCIZQQ-GHMZBOCLSA-N -1 0 370.406 -0.020 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000738707601 602572431 /nfs/dbraw/zinc/57/24/31/602572431.db2.gz JZBVNLTXUCIZQQ-MNOVXSKESA-N -1 0 370.406 -0.020 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000738707602 602572538 /nfs/dbraw/zinc/57/25/38/602572538.db2.gz JZBVNLTXUCIZQQ-QWRGUYRKSA-N -1 0 370.406 -0.020 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000738707605 602572518 /nfs/dbraw/zinc/57/25/18/602572518.db2.gz JZBVNLTXUCIZQQ-WDEREUQCSA-N -1 0 370.406 -0.020 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000738710843 603003678 /nfs/dbraw/zinc/00/36/78/603003678.db2.gz WRNKWYQQWXWSOL-LLVKDONJSA-N -1 0 370.406 -0.066 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000738710844 603003655 /nfs/dbraw/zinc/00/36/55/603003655.db2.gz WRNKWYQQWXWSOL-NSHDSACASA-N -1 0 370.406 -0.066 20 0 FBADRM CC(C)(C)OC(=O)NCCCNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738713873 603023950 /nfs/dbraw/zinc/02/39/50/603023950.db2.gz KHWZZWZMRVYJJK-UHFFFAOYSA-N -1 0 358.395 -0.160 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)C1 ZINC000738718203 604309248 /nfs/dbraw/zinc/30/92/48/604309248.db2.gz XFYWIGRSCGVICP-GHMZBOCLSA-N -1 0 370.406 -0.020 20 0 FBADRM CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)C1 ZINC000738718206 602688389 /nfs/dbraw/zinc/68/83/89/602688389.db2.gz XFYWIGRSCGVICP-MNOVXSKESA-N -1 0 370.406 -0.020 20 0 FBADRM CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)C1 ZINC000738718209 605947399 /nfs/dbraw/zinc/94/73/99/605947399.db2.gz XFYWIGRSCGVICP-QWRGUYRKSA-N -1 0 370.406 -0.020 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)C1 ZINC000738718211 602688449 /nfs/dbraw/zinc/68/84/49/602688449.db2.gz XFYWIGRSCGVICP-WDEREUQCSA-N -1 0 370.406 -0.020 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000738718612 604475565 /nfs/dbraw/zinc/47/55/65/604475565.db2.gz ZIBUXODJLUKJNK-LLVKDONJSA-N -1 0 370.406 -0.066 20 0 FBADRM CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000738718614 605070527 /nfs/dbraw/zinc/07/05/27/605070527.db2.gz ZIBUXODJLUKJNK-NSHDSACASA-N -1 0 370.406 -0.066 20 0 FBADRM Cc1cccc(N(CC(=O)[O-])C(=O)Cn2cnc3c(cnn3C)c2=O)n1 ZINC000738722810 600526316 /nfs/dbraw/zinc/52/63/16/600526316.db2.gz NVJTVDLGPNTKEO-UHFFFAOYSA-N -1 0 356.342 -0.049 20 0 FBADRM CC(C)(C)[S@@](=O)CCNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738726114 602967257 /nfs/dbraw/zinc/96/72/57/602967257.db2.gz RPTKVIXMDQZSNB-DEOSSOPVSA-N -1 0 362.452 -0.345 20 0 FBADRM CC(C)(C)[S@](=O)CCNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738726118 602967041 /nfs/dbraw/zinc/96/70/41/602967041.db2.gz RPTKVIXMDQZSNB-XMMPIXPASA-N -1 0 362.452 -0.345 20 0 FBADRM CC(C)(CC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)NC(=O)[O-] ZINC000738729407 603024794 /nfs/dbraw/zinc/02/47/94/603024794.db2.gz ADKCMMLAINJIIJ-UHFFFAOYSA-N -1 0 354.407 -0.284 20 0 FBADRM CC(C)(CC(=O)NCCN1CCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000738730796 603028070 /nfs/dbraw/zinc/02/80/70/603028070.db2.gz JXGBCOYHODMDIK-UHFFFAOYSA-N -1 0 350.441 -0.884 20 0 FBADRM CC(C)(CC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)NC(=O)[O-] ZINC000738730909 603014984 /nfs/dbraw/zinc/01/49/84/603014984.db2.gz JDLNQQASIJWQLC-UHFFFAOYSA-N -1 0 356.423 -0.574 20 0 FBADRM CC(C)(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)NC(=O)[O-] ZINC000738730911 603013309 /nfs/dbraw/zinc/01/33/09/603013309.db2.gz JEMIONSXHYWPEV-UHFFFAOYSA-N -1 0 356.423 -0.574 20 0 FBADRM CC(C)(CC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)NC(=O)[O-] ZINC000738731437 603053555 /nfs/dbraw/zinc/05/35/55/603053555.db2.gz GATAHUQPJMGXMX-GFCCVEGCSA-N -1 0 356.423 -0.528 20 0 FBADRM CC(C)(CC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1)NC(=O)[O-] ZINC000738731441 603053748 /nfs/dbraw/zinc/05/37/48/603053748.db2.gz GATAHUQPJMGXMX-LBPRGKRZSA-N -1 0 356.423 -0.528 20 0 FBADRM CC(C)(CC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)NC(=O)[O-] ZINC000738732251 603027260 /nfs/dbraw/zinc/02/72/60/603027260.db2.gz QQWGYVHJDITDBQ-UHFFFAOYSA-N -1 0 368.390 -0.758 20 0 FBADRM CC(C)(CC(=O)NCCS(=O)(=O)N1CCSCC1)NC(=O)[O-] ZINC000738732933 602990018 /nfs/dbraw/zinc/99/00/18/602990018.db2.gz ZJGMIXUQZBCVRI-UHFFFAOYSA-N -1 0 353.466 -0.083 20 0 FBADRM CC(C)(CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NC(=O)[O-] ZINC000738733016 603035913 /nfs/dbraw/zinc/03/59/13/603035913.db2.gz PACLVNYIISEJNG-GHMZBOCLSA-N -1 0 363.436 -0.963 20 0 FBADRM CC(C)(CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NC(=O)[O-] ZINC000738733017 603036240 /nfs/dbraw/zinc/03/62/40/603036240.db2.gz PACLVNYIISEJNG-MNOVXSKESA-N -1 0 363.436 -0.963 20 0 FBADRM CC(C)(CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NC(=O)[O-] ZINC000738733018 603036102 /nfs/dbraw/zinc/03/61/02/603036102.db2.gz PACLVNYIISEJNG-QWRGUYRKSA-N -1 0 363.436 -0.963 20 0 FBADRM CC(C)(CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NC(=O)[O-] ZINC000738733019 603036297 /nfs/dbraw/zinc/03/62/97/603036297.db2.gz PACLVNYIISEJNG-WDEREUQCSA-N -1 0 363.436 -0.963 20 0 FBADRM CC(C)(CC(=O)NCc1ccc(C(=O)NCC(N)=O)cc1)NC(=O)[O-] ZINC000738734236 603024864 /nfs/dbraw/zinc/02/48/64/603024864.db2.gz CUNIPAHWDVQUTB-UHFFFAOYSA-N -1 0 350.375 -0.046 20 0 FBADRM CC(C)(CCC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)NC(=O)[O-] ZINC000738738038 602791461 /nfs/dbraw/zinc/79/14/61/602791461.db2.gz AKWXYSGBWHIJIS-UHFFFAOYSA-N -1 0 354.407 -0.238 20 0 FBADRM CC(C)(CCC(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)NC(=O)[O-] ZINC000738738107 603023595 /nfs/dbraw/zinc/02/35/95/603023595.db2.gz CJLJTGKRASMXRI-JTQLQIEISA-N -1 0 350.441 -0.156 20 0 FBADRM CC(C)(CCC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)NC(=O)[O-] ZINC000738738108 603023246 /nfs/dbraw/zinc/02/32/46/603023246.db2.gz CJLJTGKRASMXRI-SNVBAGLBSA-N -1 0 350.441 -0.156 20 0 FBADRM CC(C)(CCC(=O)NCCN1CCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000738739887 602825182 /nfs/dbraw/zinc/82/51/82/602825182.db2.gz JEYPLTQHDNFITP-UHFFFAOYSA-N -1 0 364.468 -0.494 20 0 FBADRM CC(C)(CCC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000738740092 602822150 /nfs/dbraw/zinc/82/21/50/602822150.db2.gz KOUHLZWCYJCBIU-JTQLQIEISA-N -1 0 363.436 -0.378 20 0 FBADRM CC(C)(CCC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000738740095 602822027 /nfs/dbraw/zinc/82/20/27/602822027.db2.gz KOUHLZWCYJCBIU-SNVBAGLBSA-N -1 0 363.436 -0.378 20 0 FBADRM CC(C)(CCC(=O)NCCS(=O)(=O)N1CCOCC1)NC(=O)[O-] ZINC000738740525 602798437 /nfs/dbraw/zinc/79/84/37/602798437.db2.gz NJOHJUIOYYGNGL-UHFFFAOYSA-N -1 0 351.425 -0.409 20 0 FBADRM CC(C)(CCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)NC(=O)[O-] ZINC000738741087 602831998 /nfs/dbraw/zinc/83/19/98/602831998.db2.gz AQECJRVZAAKXAG-UHFFFAOYSA-N -1 0 353.383 -0.830 20 0 FBADRM CC(C)(CCC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)NC(=O)[O-] ZINC000738741965 602838641 /nfs/dbraw/zinc/83/86/41/602838641.db2.gz GWSHZNXMFBMGHB-CYBMUJFWSA-N -1 0 370.450 -0.138 20 0 FBADRM CC(C)(CCC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1)NC(=O)[O-] ZINC000738741967 602838817 /nfs/dbraw/zinc/83/88/17/602838817.db2.gz GWSHZNXMFBMGHB-ZDUSSCGKSA-N -1 0 370.450 -0.138 20 0 FBADRM CC(C)(CCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)NC(=O)[O-] ZINC000738745000 602819889 /nfs/dbraw/zinc/81/98/89/602819889.db2.gz WSZRUJXRZALLJT-UHFFFAOYSA-N -1 0 370.450 -0.184 20 0 FBADRM CC(C)(CNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])NS(C)(=O)=O ZINC000738746735 603417057 /nfs/dbraw/zinc/41/70/57/603417057.db2.gz LMJDFVGLMKYTQH-JTQLQIEISA-N -1 0 351.425 -0.411 20 0 FBADRM CC(C)(CNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])NS(C)(=O)=O ZINC000738746741 603416893 /nfs/dbraw/zinc/41/68/93/603416893.db2.gz LMJDFVGLMKYTQH-SNVBAGLBSA-N -1 0 351.425 -0.411 20 0 FBADRM CC(C)(CNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)NS(C)(=O)=O ZINC000738747087 603177806 /nfs/dbraw/zinc/17/78/06/603177806.db2.gz MQOALBQVBCIYCW-UHFFFAOYSA-N -1 0 364.468 -0.495 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1)NS(C)(=O)=O ZINC000738748026 602756893 /nfs/dbraw/zinc/75/68/93/602756893.db2.gz SPCFDGXLVVUASE-UHFFFAOYSA-N -1 0 373.391 -0.446 20 0 FBADRM CC(C)(CNC(=O)[O-])NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000738749247 602308456 /nfs/dbraw/zinc/30/84/56/602308456.db2.gz LAROGKHNPZMMRQ-UHFFFAOYSA-N -1 0 363.168 -0.126 20 0 FBADRM CC(C)(CNC(=O)[O-])NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000738749426 602306756 /nfs/dbraw/zinc/30/67/56/602306756.db2.gz DGTRXEFJIFGBOX-NXEZZACHSA-N -1 0 361.420 -0.816 20 0 FBADRM CC(C)(CNC(=O)[O-])NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000738749429 602306796 /nfs/dbraw/zinc/30/67/96/602306796.db2.gz DGTRXEFJIFGBOX-UWVGGRQHSA-N -1 0 361.420 -0.816 20 0 FBADRM CC(C)(CNC(=O)[O-])NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000738749432 602306557 /nfs/dbraw/zinc/30/65/57/602306557.db2.gz DGTRXEFJIFGBOX-VHSXEESVSA-N -1 0 361.420 -0.816 20 0 FBADRM CC(C)(CNC(=O)[O-])NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000738749435 602306876 /nfs/dbraw/zinc/30/68/76/602306876.db2.gz DGTRXEFJIFGBOX-ZJUUUORDSA-N -1 0 361.420 -0.816 20 0 FBADRM CC(C)(CNC(=O)[O-])NC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000738750253 602306543 /nfs/dbraw/zinc/30/65/43/602306543.db2.gz CHDRRWCPSROBSN-UHFFFAOYSA-N -1 0 355.372 -0.007 20 0 FBADRM CC(C)(CNC(=O)[O-])NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000738750532 602496242 /nfs/dbraw/zinc/49/62/42/602496242.db2.gz HVXZXDHBGNYMFB-CYBMUJFWSA-N -1 0 370.450 -0.138 20 0 FBADRM CC(C)(CNC(=O)[O-])NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000738750534 602496401 /nfs/dbraw/zinc/49/64/01/602496401.db2.gz HVXZXDHBGNYMFB-ZDUSSCGKSA-N -1 0 370.450 -0.138 20 0 FBADRM CC(C)(CNC(=O)[O-])NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000738750575 602310407 /nfs/dbraw/zinc/31/04/07/602310407.db2.gz JZDBNLWZPRCLJM-SECBINFHSA-N -1 0 374.419 -0.686 20 0 FBADRM CC(C)(CNC(=O)[O-])NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000738750581 602310354 /nfs/dbraw/zinc/31/03/54/602310354.db2.gz JZDBNLWZPRCLJM-VIFPVBQESA-N -1 0 374.419 -0.686 20 0 FBADRM CC(C)(CNC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000738750640 602474816 /nfs/dbraw/zinc/47/48/16/602474816.db2.gz KXLVCXDYJKHOKT-GFCCVEGCSA-N -1 0 356.423 -0.671 20 0 FBADRM CC(C)(CNC(=O)[O-])NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000738750642 602474881 /nfs/dbraw/zinc/47/48/81/602474881.db2.gz KXLVCXDYJKHOKT-LBPRGKRZSA-N -1 0 356.423 -0.671 20 0 FBADRM CC(C)(CNC(=O)[O-])NC(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000738751002 602307064 /nfs/dbraw/zinc/30/70/64/602307064.db2.gz LXXFXCHWLHBABY-UHFFFAOYSA-N -1 0 362.394 -0.102 20 0 FBADRM CC(C)(CNC(=O)c1csc(CNC(=O)[O-])n1)NS(C)(=O)=O ZINC000738751922 602704073 /nfs/dbraw/zinc/70/40/73/602704073.db2.gz FBRBULLEPNBECT-UHFFFAOYSA-N -1 0 350.422 -0.032 20 0 FBADRM CC(C)(CNC(=O)[O-])NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000738752154 602317738 /nfs/dbraw/zinc/31/77/38/602317738.db2.gz KTAHQKLXJNRGKH-UHFFFAOYSA-N -1 0 351.406 -0.342 20 0 FBADRM CC(C)(CNC(=O)[O-])NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000738752512 602317967 /nfs/dbraw/zinc/31/79/67/602317967.db2.gz MJHOBSHPWXLDAM-UHFFFAOYSA-N -1 0 351.406 -0.342 20 0 FBADRM CC(C)(CNC(=O)[O-])NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000738752597 602317952 /nfs/dbraw/zinc/31/79/52/602317952.db2.gz NBBCLGYGEHKXNV-UHFFFAOYSA-N -1 0 356.360 -0.459 20 0 FBADRM Cc1ccccc1C(=O)NCC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000738753565 600442554 /nfs/dbraw/zinc/44/25/54/600442554.db2.gz ANMBQSPVIZOJDE-UHFFFAOYSA-N -1 0 363.414 -0.030 20 0 FBADRM CC(C)(NC(=O)[O-])c1noc(COC(=O)CN2CCC(=O)NC2=O)n1 ZINC000738754386 602935170 /nfs/dbraw/zinc/93/51/70/602935170.db2.gz HJGQGURQOLPLJL-UHFFFAOYSA-N -1 0 355.307 -0.443 20 0 FBADRM CC(C)(NC(=O)[O-])C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000738754857 603084277 /nfs/dbraw/zinc/08/42/77/603084277.db2.gz WKNSOTLYDWTZMT-UHFFFAOYSA-N -1 0 360.392 -0.305 20 0 FBADRM CC(C)(NC(=O)[O-])c1noc(COC(=O)Cn2ccc(=O)[nH]c2=O)n1 ZINC000738756138 602284108 /nfs/dbraw/zinc/28/41/08/602284108.db2.gz YIXOPLYXRCSCBE-UHFFFAOYSA-N -1 0 353.291 -0.422 20 0 FBADRM CC(C)(NS(C)(=O)=O)C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000738758470 602851236 /nfs/dbraw/zinc/85/12/36/602851236.db2.gz VSDWLTCUDQECAT-UHFFFAOYSA-N -1 0 350.441 -0.884 20 0 FBADRM CC(C)C(=O)N1CCC(NC(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000738760708 603014695 /nfs/dbraw/zinc/01/46/95/603014695.db2.gz UMGNFTWGRUNDAN-UHFFFAOYSA-N -1 0 354.407 -0.428 20 0 FBADRM CC(C)C(=O)N[C@@H]1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000738766636 602999082 /nfs/dbraw/zinc/99/90/82/602999082.db2.gz VJQKCEXOULHLGW-GFCCVEGCSA-N -1 0 354.407 -0.428 20 0 FBADRM CC(C)C(=O)N[C@H]1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000738766644 602999072 /nfs/dbraw/zinc/99/90/72/602999072.db2.gz VJQKCEXOULHLGW-LBPRGKRZSA-N -1 0 354.407 -0.428 20 0 FBADRM CC(C)C(=O)NC1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000738766955 602992753 /nfs/dbraw/zinc/99/27/53/602992753.db2.gz WQZSQFOJUQWZRD-UHFFFAOYSA-N -1 0 354.407 -0.428 20 0 FBADRM CC(C)C(=O)NC[C@H]1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000738767412 603022640 /nfs/dbraw/zinc/02/26/40/603022640.db2.gz UUYJXVMDDQTRBN-CYBMUJFWSA-N -1 0 368.434 -0.181 20 0 FBADRM CC(C)C(=O)NC[C@@H]1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000738767417 603022343 /nfs/dbraw/zinc/02/23/43/603022343.db2.gz UUYJXVMDDQTRBN-ZDUSSCGKSA-N -1 0 368.434 -0.181 20 0 FBADRM CC(C)C(=O)N1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000738767530 603024082 /nfs/dbraw/zinc/02/40/82/603024082.db2.gz ZLEJCZKBTFMPQS-UHFFFAOYSA-N -1 0 354.407 -0.475 20 0 FBADRM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000738768776 603125841 /nfs/dbraw/zinc/12/58/41/603125841.db2.gz YMXWEMLWOLGWRI-CYBMUJFWSA-N -1 0 350.441 -0.300 20 0 FBADRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000738768785 603125811 /nfs/dbraw/zinc/12/58/11/603125811.db2.gz YMXWEMLWOLGWRI-ZDUSSCGKSA-N -1 0 350.441 -0.300 20 0 FBADRM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000738770789 603058634 /nfs/dbraw/zinc/05/86/34/603058634.db2.gz JBHYZQOVXPZODR-FYCOFBDGSA-N -1 0 352.391 -0.104 20 0 FBADRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000738770791 603058360 /nfs/dbraw/zinc/05/83/60/603058360.db2.gz JBHYZQOVXPZODR-MOEXGYKKSA-N -1 0 352.391 -0.104 20 0 FBADRM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000738770793 603058562 /nfs/dbraw/zinc/05/85/62/603058562.db2.gz JBHYZQOVXPZODR-MWWKQMNYSA-N -1 0 352.391 -0.104 20 0 FBADRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000738770795 603058673 /nfs/dbraw/zinc/05/86/73/603058673.db2.gz JBHYZQOVXPZODR-WLMCBFPDSA-N -1 0 352.391 -0.104 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)NC(=O)[O-] ZINC000738772187 602810221 /nfs/dbraw/zinc/81/02/21/602810221.db2.gz DCPNTRVMKAQCRA-LLVKDONJSA-N -1 0 372.403 -0.319 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)NC(=O)[O-] ZINC000738772190 602810277 /nfs/dbraw/zinc/81/02/77/602810277.db2.gz DCPNTRVMKAQCRA-NSHDSACASA-N -1 0 372.403 -0.319 20 0 FBADRM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000738773121 603125889 /nfs/dbraw/zinc/12/58/89/603125889.db2.gz SHZDUVDIMVTWGP-CYBMUJFWSA-N -1 0 361.424 -0.281 20 0 FBADRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000738773122 603125731 /nfs/dbraw/zinc/12/57/31/603125731.db2.gz SHZDUVDIMVTWGP-ZDUSSCGKSA-N -1 0 361.424 -0.281 20 0 FBADRM CC(C)[C@@](C)(CNC(=O)[O-])NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000738773685 603085074 /nfs/dbraw/zinc/08/50/74/603085074.db2.gz UOHXJUZKILEYBT-CYBMUJFWSA-N -1 0 362.408 -0.955 20 0 FBADRM CC(C)[C@](C)(CNC(=O)[O-])NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000738773686 603084864 /nfs/dbraw/zinc/08/48/64/603084864.db2.gz UOHXJUZKILEYBT-ZDUSSCGKSA-N -1 0 362.408 -0.955 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)NC(=O)[O-] ZINC000738773746 602862386 /nfs/dbraw/zinc/86/23/86/602862386.db2.gz JXRNDCAJNOWGME-JTQLQIEISA-N -1 0 372.403 -0.168 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)NC(=O)[O-] ZINC000738773748 602862198 /nfs/dbraw/zinc/86/21/98/602862198.db2.gz JXRNDCAJNOWGME-SNVBAGLBSA-N -1 0 372.403 -0.168 20 0 FBADRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000738774314 603050668 /nfs/dbraw/zinc/05/06/68/603050668.db2.gz XHUMLCPBVZHTKW-HNNXBMFYSA-N -1 0 350.379 -0.072 20 0 FBADRM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000738774316 603050414 /nfs/dbraw/zinc/05/04/14/603050414.db2.gz XHUMLCPBVZHTKW-OAHLLOKOSA-N -1 0 350.379 -0.072 20 0 FBADRM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000738774780 603130399 /nfs/dbraw/zinc/13/03/99/603130399.db2.gz ZMUIMZSJWFEVDJ-CYBMUJFWSA-N -1 0 361.424 -0.503 20 0 FBADRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000738774781 603130262 /nfs/dbraw/zinc/13/02/62/603130262.db2.gz ZMUIMZSJWFEVDJ-ZDUSSCGKSA-N -1 0 361.424 -0.503 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)NC(=O)[O-] ZINC000738775550 603423132 /nfs/dbraw/zinc/42/31/32/603423132.db2.gz RBSJLNXSNXISGN-LLVKDONJSA-N -1 0 372.403 -0.319 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)NC(=O)[O-] ZINC000738775553 603423146 /nfs/dbraw/zinc/42/31/46/603423146.db2.gz RBSJLNXSNXISGN-NSHDSACASA-N -1 0 372.403 -0.319 20 0 FBADRM CC(C)[C@@H](CNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)NC(=O)[O-] ZINC000738778344 602771892 /nfs/dbraw/zinc/77/18/92/602771892.db2.gz PTIUQJNBVZIHEQ-MRVPVSSYSA-N -1 0 366.378 -0.297 20 0 FBADRM CC(C)[C@H](CNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)NC(=O)[O-] ZINC000738778354 602771552 /nfs/dbraw/zinc/77/15/52/602771552.db2.gz PTIUQJNBVZIHEQ-QMMMGPOBSA-N -1 0 366.378 -0.297 20 0 FBADRM CC(C)[C@@H](CNC(=O)CN1CCN(C(=O)[O-])CC1=O)N1CCOCC1 ZINC000738779330 602987612 /nfs/dbraw/zinc/98/76/12/602987612.db2.gz WGPVZAZRLLXQJW-CYBMUJFWSA-N -1 0 356.423 -0.718 20 0 FBADRM CC(C)[C@H](CNC(=O)CN1CCN(C(=O)[O-])CC1=O)N1CCOCC1 ZINC000738779331 602987540 /nfs/dbraw/zinc/98/75/40/602987540.db2.gz WGPVZAZRLLXQJW-ZDUSSCGKSA-N -1 0 356.423 -0.718 20 0 FBADRM CC(C)[C@@H](CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)NC(=O)[O-] ZINC000738779818 603408203 /nfs/dbraw/zinc/40/82/03/603408203.db2.gz XLOJUMODDZMMHH-LLVKDONJSA-N -1 0 356.404 -0.108 20 0 FBADRM CC(C)[C@H](CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)NC(=O)[O-] ZINC000738779821 603408205 /nfs/dbraw/zinc/40/82/05/603408205.db2.gz XLOJUMODDZMMHH-NSHDSACASA-N -1 0 356.404 -0.108 20 0 FBADRM CC(C)[C@@H](CNC(=O)NCCS(=O)(=O)N1CCOCC1)NC(=O)[O-] ZINC000738779982 602799508 /nfs/dbraw/zinc/79/95/08/602799508.db2.gz BAIPUIVMOAHZRT-LLVKDONJSA-N -1 0 366.440 -0.760 20 0 FBADRM CC(C)[C@H](CNC(=O)NCCS(=O)(=O)N1CCOCC1)NC(=O)[O-] ZINC000738779984 602799360 /nfs/dbraw/zinc/79/93/60/602799360.db2.gz BAIPUIVMOAHZRT-NSHDSACASA-N -1 0 366.440 -0.760 20 0 FBADRM CC(C)[C@H](CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)NC(=O)[O-] ZINC000738780238 602772487 /nfs/dbraw/zinc/77/24/87/602772487.db2.gz YTNOLQIJDAFNRU-KBPBESRZSA-N -1 0 370.450 -0.425 20 0 FBADRM CC(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)NC(=O)[O-] ZINC000738780241 602772751 /nfs/dbraw/zinc/77/27/51/602772751.db2.gz YTNOLQIJDAFNRU-KGLIPLIRSA-N -1 0 370.450 -0.425 20 0 FBADRM CC(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)NC(=O)[O-] ZINC000738780242 602772496 /nfs/dbraw/zinc/77/24/96/602772496.db2.gz YTNOLQIJDAFNRU-UONOGXRCSA-N -1 0 370.450 -0.425 20 0 FBADRM CC(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)NC(=O)[O-] ZINC000738780244 602772641 /nfs/dbraw/zinc/77/26/41/602772641.db2.gz YTNOLQIJDAFNRU-ZIAGYGMSSA-N -1 0 370.450 -0.425 20 0 FBADRM CC(C)[C@@H](CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)NC(=O)[O-] ZINC000738780442 603408288 /nfs/dbraw/zinc/40/82/88/603408288.db2.gz ZGKXUAYIVAELAK-LLVKDONJSA-N -1 0 356.404 -0.108 20 0 FBADRM CC(C)[C@H](CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)NC(=O)[O-] ZINC000738780446 603408239 /nfs/dbraw/zinc/40/82/39/603408239.db2.gz ZGKXUAYIVAELAK-NSHDSACASA-N -1 0 356.404 -0.108 20 0 FBADRM CC(C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)NC(=O)[O-] ZINC000738781141 602849747 /nfs/dbraw/zinc/84/97/47/602849747.db2.gz AOQNACDMGBFJKU-LLVKDONJSA-N -1 0 365.456 -0.588 20 0 FBADRM CC(C)[C@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)NC(=O)[O-] ZINC000738781142 602849648 /nfs/dbraw/zinc/84/96/48/602849648.db2.gz AOQNACDMGBFJKU-NSHDSACASA-N -1 0 365.456 -0.588 20 0 FBADRM CC(C)[C@@H](CNC(=O)N1CCN(CC(=O)NC2CC2)CC1)NC(=O)[O-] ZINC000738781910 602847750 /nfs/dbraw/zinc/84/77/50/602847750.db2.gz DJIJFXKCMWNHIY-CYBMUJFWSA-N -1 0 355.439 -0.116 20 0 FBADRM CC(C)[C@H](CNC(=O)N1CCN(CC(=O)NC2CC2)CC1)NC(=O)[O-] ZINC000738781914 602847513 /nfs/dbraw/zinc/84/75/13/602847513.db2.gz DJIJFXKCMWNHIY-ZDUSSCGKSA-N -1 0 355.439 -0.116 20 0 FBADRM CC(C)[C@@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)NC(=O)[O-] ZINC000738782935 602849804 /nfs/dbraw/zinc/84/98/04/602849804.db2.gz GIXIGIHDVAQSGO-GFCCVEGCSA-N -1 0 369.422 -0.589 20 0 FBADRM CC(C)[C@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)NC(=O)[O-] ZINC000738782936 602849524 /nfs/dbraw/zinc/84/95/24/602849524.db2.gz GIXIGIHDVAQSGO-LBPRGKRZSA-N -1 0 369.422 -0.589 20 0 FBADRM CC(C)[C@H](CNC(=O)NCC1(O)CCS(=O)(=O)CC1)NC(=O)[O-] ZINC000738787189 603126717 /nfs/dbraw/zinc/12/67/17/603126717.db2.gz MOMSTLIYKMWWCA-JTQLQIEISA-N -1 0 351.425 -0.483 20 0 FBADRM CC(C)[C@@H](CNC(=O)NCC1(O)CCS(=O)(=O)CC1)NC(=O)[O-] ZINC000738787191 603126938 /nfs/dbraw/zinc/12/69/38/603126938.db2.gz MOMSTLIYKMWWCA-SNVBAGLBSA-N -1 0 351.425 -0.483 20 0 FBADRM CC(C)[C@@H](CNC(=O)N1CCCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000738788651 602844989 /nfs/dbraw/zinc/84/49/89/602844989.db2.gz ZHVDDSKENAXJOA-LLVKDONJSA-N -1 0 350.441 -0.045 20 0 FBADRM CC(C)[C@H](CNC(=O)N1CCCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000738788656 602844892 /nfs/dbraw/zinc/84/48/92/602844892.db2.gz ZHVDDSKENAXJOA-NSHDSACASA-N -1 0 350.441 -0.045 20 0 FBADRM CC(C)[C@H](CNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)NC(=O)[O-] ZINC000738788959 602772769 /nfs/dbraw/zinc/77/27/69/602772769.db2.gz IEVMNRJHVJTTLF-JTQLQIEISA-N -1 0 365.390 -0.402 20 0 FBADRM CC(C)[C@@H](CNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)NC(=O)[O-] ZINC000738788962 602772521 /nfs/dbraw/zinc/77/25/21/602772521.db2.gz IEVMNRJHVJTTLF-SNVBAGLBSA-N -1 0 365.390 -0.402 20 0 FBADRM Cc1ccn2c(c1)ncc(C(=O)N(CCN1CCOCC1)CC(=O)[O-])c2=O ZINC000738790054 600262990 /nfs/dbraw/zinc/26/29/90/600262990.db2.gz VYHIZOKMBQFMQF-UHFFFAOYSA-N -1 0 374.397 -0.138 20 0 FBADRM CC(C)[C@@H](CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)NC(=O)[O-] ZINC000738790711 603412187 /nfs/dbraw/zinc/41/21/87/603412187.db2.gz QGUHXNZESVPCJV-LLVKDONJSA-N -1 0 363.374 -0.346 20 0 FBADRM CC(C)[C@H](CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)NC(=O)[O-] ZINC000738790712 603412081 /nfs/dbraw/zinc/41/20/81/603412081.db2.gz QGUHXNZESVPCJV-NSHDSACASA-N -1 0 363.374 -0.346 20 0 FBADRM CC(C)[C@@H](CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)NC(=O)[O-] ZINC000738791663 603401541 /nfs/dbraw/zinc/40/15/41/603401541.db2.gz DKIHQOKYPBGWCF-LLVKDONJSA-N -1 0 363.374 -0.346 20 0 FBADRM CC(C)[C@H](CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)NC(=O)[O-] ZINC000738791666 603401090 /nfs/dbraw/zinc/40/10/90/603401090.db2.gz DKIHQOKYPBGWCF-NSHDSACASA-N -1 0 363.374 -0.346 20 0 FBADRM CC(C)[C@@H](CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)NC(=O)[O-] ZINC000738791783 602788819 /nfs/dbraw/zinc/78/88/19/602788819.db2.gz FKAOERACQZSUIN-LLVKDONJSA-N -1 0 365.433 -0.096 20 0 FBADRM CC(C)[C@H](CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)NC(=O)[O-] ZINC000738791785 602788634 /nfs/dbraw/zinc/78/86/34/602788634.db2.gz FKAOERACQZSUIN-NSHDSACASA-N -1 0 365.433 -0.096 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCCC(=O)N1CCC(CC(N)=O)CC1 ZINC000738792147 602325842 /nfs/dbraw/zinc/32/58/42/602325842.db2.gz KOCBJZYSHSXEIZ-AWEZNQCLSA-N -1 0 356.423 -0.101 20 0 FBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCCC(=O)N1CCC(CC(N)=O)CC1 ZINC000738792148 602326170 /nfs/dbraw/zinc/32/61/70/602326170.db2.gz KOCBJZYSHSXEIZ-CQSZACIVSA-N -1 0 356.423 -0.101 20 0 FBADRM CC(C)[C@@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)NC(=O)[O-] ZINC000738792380 602784944 /nfs/dbraw/zinc/78/49/44/602784944.db2.gz GREKMIHZBNRNRS-LLVKDONJSA-N -1 0 365.433 -0.096 20 0 FBADRM CC(C)[C@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)NC(=O)[O-] ZINC000738792382 602785606 /nfs/dbraw/zinc/78/56/06/602785606.db2.gz GREKMIHZBNRNRS-NSHDSACASA-N -1 0 365.433 -0.096 20 0 FBADRM CC(C)[C@@H](CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)NC(=O)[O-] ZINC000738795958 602788829 /nfs/dbraw/zinc/78/88/29/602788829.db2.gz ZLNHFGMGVCNPNQ-LLVKDONJSA-N -1 0 370.387 -0.213 20 0 FBADRM CC(C)[C@H](CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)NC(=O)[O-] ZINC000738795959 602788754 /nfs/dbraw/zinc/78/87/54/602788754.db2.gz ZLNHFGMGVCNPNQ-NSHDSACASA-N -1 0 370.387 -0.213 20 0 FBADRM CC(C)[C@@H](OC(=O)CN(C)C(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000738798205 602205854 /nfs/dbraw/zinc/20/58/54/602205854.db2.gz BMNJESRZXRUYOY-GXSJLCMTSA-N -1 0 350.393 -0.533 20 0 FBADRM CC(C)[C@H](OC(=O)CN(C)C(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000738798207 602205813 /nfs/dbraw/zinc/20/58/13/602205813.db2.gz BMNJESRZXRUYOY-KOLCDFICSA-N -1 0 350.393 -0.533 20 0 FBADRM CC(C)[C@@H](OC(=O)CN(C)C(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000738798208 602205622 /nfs/dbraw/zinc/20/56/22/602205622.db2.gz BMNJESRZXRUYOY-MWLCHTKSSA-N -1 0 350.393 -0.533 20 0 FBADRM CC(C)[C@H](OC(=O)CN(C)C(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000738798210 602205706 /nfs/dbraw/zinc/20/57/06/602205706.db2.gz BMNJESRZXRUYOY-ONGXEEELSA-N -1 0 350.393 -0.533 20 0 FBADRM CC(C)[C@H](OC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)C(=O)NC(N)=O ZINC000738798368 603277178 /nfs/dbraw/zinc/27/71/78/603277178.db2.gz TWFQJWVILNFETK-JTQLQIEISA-N -1 0 358.395 -0.177 20 0 FBADRM CC(C)[C@@H](OC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)C(=O)NC(N)=O ZINC000738798370 603277549 /nfs/dbraw/zinc/27/75/49/603277549.db2.gz TWFQJWVILNFETK-SNVBAGLBSA-N -1 0 358.395 -0.177 20 0 FBADRM CC(C)[C@@H]1C(=O)NCCN1C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000738800276 603356907 /nfs/dbraw/zinc/35/69/07/603356907.db2.gz MFUATDCHLJYTJA-CYBMUJFWSA-N -1 0 355.439 -0.162 20 0 FBADRM CC(C)[C@H]1C(=O)NCCN1C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000738800279 603356913 /nfs/dbraw/zinc/35/69/13/603356913.db2.gz MFUATDCHLJYTJA-ZDUSSCGKSA-N -1 0 355.439 -0.162 20 0 FBADRM CC(C)[C@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)N1CCCC1 ZINC000738801052 603108785 /nfs/dbraw/zinc/10/87/85/603108785.db2.gz RKBAJHCQPKRGTD-AWEZNQCLSA-N -1 0 355.391 -0.001 20 0 FBADRM CC(C)[C@@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)N1CCCC1 ZINC000738801054 603108898 /nfs/dbraw/zinc/10/88/98/603108898.db2.gz RKBAJHCQPKRGTD-CQSZACIVSA-N -1 0 355.391 -0.001 20 0 FBADRM CC(C)[C@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)N1CCOCC1 ZINC000738801075 603110522 /nfs/dbraw/zinc/11/05/22/603110522.db2.gz RQUKOOVZVPVZJA-AWEZNQCLSA-N -1 0 371.390 -0.765 20 0 FBADRM CC(C)[C@@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)N1CCOCC1 ZINC000738801076 603110703 /nfs/dbraw/zinc/11/07/03/603110703.db2.gz RQUKOOVZVPVZJA-CQSZACIVSA-N -1 0 371.390 -0.765 20 0 FBADRM CC(C)CC(=O)NCCC(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738801232 603244828 /nfs/dbraw/zinc/24/48/28/603244828.db2.gz CORZOEMPUKZYNY-UHFFFAOYSA-N -1 0 356.423 -0.181 20 0 FBADRM CC(C)[C@@H](OC(=O)CN(C)C(=O)[O-])C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000738801865 602205837 /nfs/dbraw/zinc/20/58/37/602205837.db2.gz WWJYTKXESZCJAW-BXUZGUMPSA-N -1 0 364.420 -0.143 20 0 FBADRM CC(C)[C@H](OC(=O)CN(C)C(=O)[O-])C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000738801868 602205475 /nfs/dbraw/zinc/20/54/75/602205475.db2.gz WWJYTKXESZCJAW-FZMZJTMJSA-N -1 0 364.420 -0.143 20 0 FBADRM CC(C)[C@@H](OC(=O)CN(C)C(=O)[O-])C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000738801871 602206173 /nfs/dbraw/zinc/20/61/73/602206173.db2.gz WWJYTKXESZCJAW-RISCZKNCSA-N -1 0 364.420 -0.143 20 0 FBADRM CC(C)[C@H](OC(=O)CN(C)C(=O)[O-])C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000738801873 602206190 /nfs/dbraw/zinc/20/61/90/602206190.db2.gz WWJYTKXESZCJAW-SMDDNHRTSA-N -1 0 364.420 -0.143 20 0 FBADRM CC(C)CC(=O)N1CCC(NC(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000738802710 603019017 /nfs/dbraw/zinc/01/90/17/603019017.db2.gz YEQPQBNDUXCEQA-UHFFFAOYSA-N -1 0 368.434 -0.038 20 0 FBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000738804201 602530742 /nfs/dbraw/zinc/53/07/42/602530742.db2.gz JCDAWRPGMALJKY-LLVKDONJSA-N -1 0 350.441 -0.300 20 0 FBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000738804205 602530867 /nfs/dbraw/zinc/53/08/67/602530867.db2.gz JCDAWRPGMALJKY-NSHDSACASA-N -1 0 350.441 -0.300 20 0 FBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000738805028 602531736 /nfs/dbraw/zinc/53/17/36/602531736.db2.gz KVIKDMYPPFAUAZ-JTQLQIEISA-N -1 0 361.424 -0.503 20 0 FBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000738805029 602531721 /nfs/dbraw/zinc/53/17/21/602531721.db2.gz KVIKDMYPPFAUAZ-SNVBAGLBSA-N -1 0 361.424 -0.503 20 0 FBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000738806344 602455066 /nfs/dbraw/zinc/45/50/66/602455066.db2.gz PHWWJOGYAQPOKQ-JTQLQIEISA-N -1 0 350.379 -0.072 20 0 FBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000738806345 602455073 /nfs/dbraw/zinc/45/50/73/602455073.db2.gz PHWWJOGYAQPOKQ-SNVBAGLBSA-N -1 0 350.379 -0.072 20 0 FBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000738806346 602530857 /nfs/dbraw/zinc/53/08/57/602530857.db2.gz PKCYEDUVECDMKX-BTDICHCPSA-N -1 0 352.391 -0.104 20 0 FBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000738806347 602530807 /nfs/dbraw/zinc/53/08/07/602530807.db2.gz PKCYEDUVECDMKX-FJOGCWAESA-N -1 0 352.391 -0.104 20 0 FBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000738806348 602530800 /nfs/dbraw/zinc/53/08/00/602530800.db2.gz PKCYEDUVECDMKX-FOQNGQEVSA-N -1 0 352.391 -0.104 20 0 FBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000738806349 602530937 /nfs/dbraw/zinc/53/09/37/602530937.db2.gz PKCYEDUVECDMKX-FYJFLYSWSA-N -1 0 352.391 -0.104 20 0 FBADRM CC(C)C[C@H](CNC(=O)[O-])NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000738810484 602567001 /nfs/dbraw/zinc/56/70/01/602567001.db2.gz KBHACOCBIMEIDM-SECBINFHSA-N -1 0 362.408 -0.955 20 0 FBADRM CC(C)C[C@@H](CNC(=O)[O-])NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000738810488 602566918 /nfs/dbraw/zinc/56/69/18/602566918.db2.gz KBHACOCBIMEIDM-VIFPVBQESA-N -1 0 362.408 -0.955 20 0 FBADRM Cc1cnn(CCNC(=O)C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)c1 ZINC000738811663 600471138 /nfs/dbraw/zinc/47/11/38/600471138.db2.gz IYJDWVZRKHJTQY-UHFFFAOYSA-N -1 0 373.369 -0.239 20 0 FBADRM Cc1csc(=O)n1CCC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000738814862 600171192 /nfs/dbraw/zinc/17/11/92/600171192.db2.gz XDZMMIJVJZLNPF-UHFFFAOYSA-N -1 0 357.432 -0.146 20 0 FBADRM CC(C)CCC(=O)NCC(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738818751 602063488 /nfs/dbraw/zinc/06/34/88/602063488.db2.gz IPUFUVPLPGEVNQ-UHFFFAOYSA-N -1 0 356.423 -0.181 20 0 FBADRM CC(C)CCn1cc(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)nn1 ZINC000738820615 603177019 /nfs/dbraw/zinc/17/70/19/603177019.db2.gz MSCISBDYDJNSBJ-UHFFFAOYSA-N -1 0 352.395 -0.124 20 0 FBADRM CC(C)CN(C(=O)COC(=O)CN(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000738821160 602206547 /nfs/dbraw/zinc/20/65/47/602206547.db2.gz PGWZNBNLFNGNTD-LLVKDONJSA-N -1 0 364.420 -0.189 20 0 FBADRM CC(C)CN(C(=O)COC(=O)CN(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000738821162 602206575 /nfs/dbraw/zinc/20/65/75/602206575.db2.gz PGWZNBNLFNGNTD-NSHDSACASA-N -1 0 364.420 -0.189 20 0 FBADRM CC(C)CN(C(=O)COC(=O)CN1CCN(C(=O)[O-])CC1=O)C1CC1 ZINC000738821213 603110646 /nfs/dbraw/zinc/11/06/46/603110646.db2.gz QACZLUQMWPMRHQ-UHFFFAOYSA-N -1 0 355.391 -0.001 20 0 FBADRM CC(C)CNC(=O)[C@H]1CSCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738824935 603003401 /nfs/dbraw/zinc/00/34/01/603003401.db2.gz MWEIJXMRFBACLR-LLVKDONJSA-N -1 0 372.447 -0.518 20 0 FBADRM CC(C)CNC(=O)[C@@H]1CSCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738824936 603003897 /nfs/dbraw/zinc/00/38/97/603003897.db2.gz MWEIJXMRFBACLR-NSHDSACASA-N -1 0 372.447 -0.518 20 0 FBADRM CC(C)CNC(=O)C1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000738826534 603014793 /nfs/dbraw/zinc/01/47/93/603014793.db2.gz YIYWFLWABZZQFE-UHFFFAOYSA-N -1 0 368.434 -0.181 20 0 FBADRM Cc1[nH]nc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)c1C(=O)[O-] ZINC000738828428 600339531 /nfs/dbraw/zinc/33/95/31/600339531.db2.gz BLQVMMMVZUFWME-UHFFFAOYSA-N -1 0 371.419 -0.999 20 0 FBADRM CC(C)COC(=O)N1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000738829347 603020429 /nfs/dbraw/zinc/02/04/29/603020429.db2.gz XVSYFSSPZMSRHO-UHFFFAOYSA-N -1 0 370.406 -0.255 20 0 FBADRM Cc1[nH]nc(S(=O)(=O)N2CCN(CC(=O)NC(C)C)CC2)c1C(=O)[O-] ZINC000738829824 600339516 /nfs/dbraw/zinc/33/95/16/600339516.db2.gz RPUIJYONEOXKBQ-UHFFFAOYSA-N -1 0 373.435 -0.753 20 0 FBADRM Cc1[nH]nc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)c1C(=O)[O-] ZINC000738829970 600339552 /nfs/dbraw/zinc/33/95/52/600339552.db2.gz WPEAIJPDMQYORN-UHFFFAOYSA-N -1 0 366.421 -0.928 20 0 FBADRM Cc1[nH]nc(S(=O)(=O)N2CCN(C(=O)N3CCCC3)CC2)c1C(=O)[O-] ZINC000738829987 600339506 /nfs/dbraw/zinc/33/95/06/600339506.db2.gz XVIRQOIIACOPFN-UHFFFAOYSA-N -1 0 371.419 -0.062 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CC[C@H](NC(=O)[O-])C2)c(=O)n(C)c1=O ZINC000738834570 605929816 /nfs/dbraw/zinc/92/98/16/605929816.db2.gz IGIHZOYHEFXVJS-JTQLQIEISA-N -1 0 367.406 -0.690 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CC[C@@H](NC(=O)[O-])C2)c(=O)n(C)c1=O ZINC000738834572 604432147 /nfs/dbraw/zinc/43/21/47/604432147.db2.gz IGIHZOYHEFXVJS-SNVBAGLBSA-N -1 0 367.406 -0.690 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN(C)[C@H](C)CNC(=O)[O-])c(=O)[nH]c1=O ZINC000738835194 602561851 /nfs/dbraw/zinc/56/18/51/602561851.db2.gz JVWJQSXLAJAGRU-SECBINFHSA-N -1 0 355.395 -0.042 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN(C)[C@@H](C)CNC(=O)[O-])c(=O)[nH]c1=O ZINC000738835195 602561521 /nfs/dbraw/zinc/56/15/21/602561521.db2.gz JVWJQSXLAJAGRU-VIFPVBQESA-N -1 0 355.395 -0.042 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CCC(C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000738835215 596925903 /nfs/dbraw/zinc/92/59/03/596925903.db2.gz KLQBMKFAQXLOKG-UHFFFAOYSA-N -1 0 366.418 -0.236 20 0 FBADRM CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738835458 603003834 /nfs/dbraw/zinc/00/38/34/603003834.db2.gz QYDGOMSAYNPKSK-LLVKDONJSA-N -1 0 372.447 -0.423 20 0 FBADRM CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738835459 603003703 /nfs/dbraw/zinc/00/37/03/603003703.db2.gz QYDGOMSAYNPKSK-NSHDSACASA-N -1 0 372.447 -0.423 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CC[C@@H](CNC(=O)[O-])C2)c(=O)[nH]c1=O ZINC000738835905 601946782 /nfs/dbraw/zinc/94/67/82/601946782.db2.gz OCWOZJNYLVAZAW-JTQLQIEISA-N -1 0 367.406 -0.041 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CC[C@H](CNC(=O)[O-])C2)c(=O)[nH]c1=O ZINC000738835906 601947339 /nfs/dbraw/zinc/94/73/39/601947339.db2.gz OCWOZJNYLVAZAW-SNVBAGLBSA-N -1 0 367.406 -0.041 20 0 FBADRM CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000738836071 603014852 /nfs/dbraw/zinc/01/48/52/603014852.db2.gz UTAILGVDEVXONW-UHFFFAOYSA-N -1 0 368.434 -0.086 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CC[C@@H](NC(=O)[O-])C2)c(=O)[nH]c1=O ZINC000738836609 604428693 /nfs/dbraw/zinc/42/86/93/604428693.db2.gz POYYIJIVOMLAMQ-SECBINFHSA-N -1 0 353.379 -0.288 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CC[C@H](NC(=O)[O-])C2)c(=O)[nH]c1=O ZINC000738836612 605918550 /nfs/dbraw/zinc/91/85/50/605918550.db2.gz POYYIJIVOMLAMQ-VIFPVBQESA-N -1 0 353.379 -0.288 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)COC(=O)CN(C)C(=O)[O-])c(=O)n(C)c1=O ZINC000738836776 602210901 /nfs/dbraw/zinc/21/09/01/602210901.db2.gz RVWZBJUHGGOYPP-UHFFFAOYSA-N -1 0 370.362 -0.879 20 0 FBADRM CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1 ZINC000738837385 597043261 /nfs/dbraw/zinc/04/32/61/597043261.db2.gz QULZZLHDZZMTLM-UHFFFAOYSA-N -1 0 357.388 -0.145 20 0 FBADRM CC(C)N(CCC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)C(=O)[O-] ZINC000738837830 603023588 /nfs/dbraw/zinc/02/35/88/603023588.db2.gz HTGFJDIVIYMUIH-LLVKDONJSA-N -1 0 350.441 -0.203 20 0 FBADRM CC(C)N(CCC(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)C(=O)[O-] ZINC000738837833 603023332 /nfs/dbraw/zinc/02/33/32/603023332.db2.gz HTGFJDIVIYMUIH-NSHDSACASA-N -1 0 350.441 -0.203 20 0 FBADRM CC(C)N(CCC(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000738838510 602394931 /nfs/dbraw/zinc/39/49/31/602394931.db2.gz MMAXDFANTIKGEA-LLVKDONJSA-N -1 0 363.436 -0.473 20 0 FBADRM CC(C)N(CCC(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000738838511 602394971 /nfs/dbraw/zinc/39/49/71/602394971.db2.gz MMAXDFANTIKGEA-NSHDSACASA-N -1 0 363.436 -0.473 20 0 FBADRM CC(C)N(CCC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C(=O)[O-] ZINC000738839577 601861483 /nfs/dbraw/zinc/86/14/83/601861483.db2.gz MLOPFQKORNFDJL-UHFFFAOYSA-N -1 0 354.407 -0.286 20 0 FBADRM CC(C)N(CCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C(=O)[O-] ZINC000738839580 602345785 /nfs/dbraw/zinc/34/57/85/602345785.db2.gz MPYWUZPYASCENB-UHFFFAOYSA-N -1 0 370.450 -0.232 20 0 FBADRM CC(C)N(CCC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)C(=O)[O-] ZINC000738839834 602381812 /nfs/dbraw/zinc/38/18/12/602381812.db2.gz QLOZMIHDZLDILZ-UHFFFAOYSA-N -1 0 350.441 -0.285 20 0 FBADRM CC(C)N(CCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C(=O)[O-] ZINC000738839840 602026648 /nfs/dbraw/zinc/02/66/48/602026648.db2.gz QPIJIQNLKFPPRS-UHFFFAOYSA-N -1 0 353.383 -0.878 20 0 FBADRM CC(C)N(CCC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC000738840498 603225897 /nfs/dbraw/zinc/22/58/97/603225897.db2.gz AJWBWCOYFXDHPF-AWEZNQCLSA-N -1 0 370.450 -0.186 20 0 FBADRM CC(C)N(CCC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC000738840581 603225798 /nfs/dbraw/zinc/22/57/98/603225798.db2.gz AJWBWCOYFXDHPF-CQSZACIVSA-N -1 0 370.450 -0.186 20 0 FBADRM CC(C)N(CCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C(=O)[O-] ZINC000738841041 602361598 /nfs/dbraw/zinc/36/15/98/602361598.db2.gz ZTEYOYIXIYUBKU-UHFFFAOYSA-N -1 0 370.450 -0.232 20 0 FBADRM CC(C)N(CCC(=O)NCCS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000738841456 601940256 /nfs/dbraw/zinc/94/02/56/601940256.db2.gz VPIYXVJRXPUNMM-UHFFFAOYSA-N -1 0 351.425 -0.457 20 0 FBADRM CC(C)N(CCC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000738843085 602395028 /nfs/dbraw/zinc/39/50/28/602395028.db2.gz VXFSNAVPOWEWQB-LLVKDONJSA-N -1 0 363.436 -0.426 20 0 FBADRM CC(C)N(CCC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000738843087 602394886 /nfs/dbraw/zinc/39/48/86/602394886.db2.gz VXFSNAVPOWEWQB-NSHDSACASA-N -1 0 363.436 -0.426 20 0 FBADRM CC(C)N(CCC(=O)NCCN1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000738843464 601898089 /nfs/dbraw/zinc/89/80/89/601898089.db2.gz YDUCBWFFWQARHT-UHFFFAOYSA-N -1 0 364.468 -0.542 20 0 FBADRM Cc1nc(C)c(CC(=O)N(CCN2CCOCC2)CC(=O)[O-])c(=O)[nH]1 ZINC000738844807 600263083 /nfs/dbraw/zinc/26/30/83/600263083.db2.gz OYKZSTDZLXQTSI-UHFFFAOYSA-N -1 0 352.391 -0.413 20 0 FBADRM Cc1nc(C)c(CCC(=O)N(CCN2CCOCC2)CC(=O)[O-])c(=O)[nH]1 ZINC000738848807 600264733 /nfs/dbraw/zinc/26/47/33/600264733.db2.gz ZZKFBICRMWWQJR-UHFFFAOYSA-N -1 0 366.418 -0.023 20 0 FBADRM CC(C)N(CCCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000738849093 602389763 /nfs/dbraw/zinc/38/97/63/602389763.db2.gz WOVFGFJCLQXEBX-UHFFFAOYSA-N -1 0 362.408 -0.859 20 0 FBADRM CC(C)N(CCCNC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000738849643 602355411 /nfs/dbraw/zinc/35/54/11/602355411.db2.gz LPNSHYCFHGOHRO-SREVYHEPSA-N -1 0 352.391 -0.008 20 0 FBADRM CC(C)N(CCCNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000738849644 602355350 /nfs/dbraw/zinc/35/53/50/602355350.db2.gz LPNSHYCFHGOHRO-VOTSOKGWSA-N -1 0 352.391 -0.008 20 0 FBADRM CC(C)N(CCCNC(=O)CN1CC[C@@H](NC(=O)[O-])C1)S(C)(=O)=O ZINC000738849987 604368970 /nfs/dbraw/zinc/36/89/70/604368970.db2.gz NBWIMDPHUAQQAM-GFCCVEGCSA-N -1 0 364.468 -0.495 20 0 FBADRM CC(C)N(CCCNC(=O)CN1CC[C@H](NC(=O)[O-])C1)S(C)(=O)=O ZINC000738849988 605920849 /nfs/dbraw/zinc/92/08/49/605920849.db2.gz NBWIMDPHUAQQAM-LBPRGKRZSA-N -1 0 364.468 -0.495 20 0 FBADRM CC(C)N(CCCNC(=O)CNS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC000738849992 602354608 /nfs/dbraw/zinc/35/46/08/602354608.db2.gz NHRFRAGOEBPLNO-UHFFFAOYSA-N -1 0 361.424 -0.407 20 0 FBADRM CC(C)N(CCCNC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC000738851002 602354534 /nfs/dbraw/zinc/35/45/34/602354534.db2.gz XZEDRNIJZPUFHA-UHFFFAOYSA-N -1 0 350.441 -0.203 20 0 FBADRM CC(C)N1C(=O)CN(CN2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)C1=O ZINC000738851102 602255920 /nfs/dbraw/zinc/25/59/20/602255920.db2.gz DTWRKRASMHUPEF-GFCCVEGCSA-N -1 0 369.422 -0.288 20 0 FBADRM CC(C)N1C(=O)CN(CN2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)C1=O ZINC000738851105 602255893 /nfs/dbraw/zinc/25/58/93/602255893.db2.gz DTWRKRASMHUPEF-LBPRGKRZSA-N -1 0 369.422 -0.288 20 0 FBADRM CC(C)N1CC[C@@H](NC(=O)NCCCN2CCN(C(=O)[O-])CC2)C1=O ZINC000738851227 603296332 /nfs/dbraw/zinc/29/63/32/603296332.db2.gz FNWUQAQJEOMNAT-CYBMUJFWSA-N -1 0 355.439 -0.019 20 0 FBADRM CC(C)N1CC[C@H](NC(=O)NCCCN2CCN(C(=O)[O-])CC2)C1=O ZINC000738851230 603296566 /nfs/dbraw/zinc/29/65/66/603296566.db2.gz FNWUQAQJEOMNAT-ZDUSSCGKSA-N -1 0 355.439 -0.019 20 0 FBADRM CC(C)N1CC[C@@H](NC(=O)N(C)CCN2CCN(C(=O)[O-])CC2)C1=O ZINC000738851396 603307449 /nfs/dbraw/zinc/30/74/49/603307449.db2.gz GHUUMQVZTXWHNB-CYBMUJFWSA-N -1 0 355.439 -0.067 20 0 FBADRM CC(C)N1CC[C@H](NC(=O)N(C)CCN2CCN(C(=O)[O-])CC2)C1=O ZINC000738851402 603307597 /nfs/dbraw/zinc/30/75/97/603307597.db2.gz GHUUMQVZTXWHNB-ZDUSSCGKSA-N -1 0 355.439 -0.067 20 0 FBADRM CC(C)N1CC[C@@H](NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1=O ZINC000738851433 603257130 /nfs/dbraw/zinc/25/71/30/603257130.db2.gz GPZKLHHZHVCXRZ-LLVKDONJSA-N -1 0 355.395 -0.883 20 0 FBADRM CC(C)N1CC[C@H](NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1=O ZINC000738851492 603256935 /nfs/dbraw/zinc/25/69/35/603256935.db2.gz GPZKLHHZHVCXRZ-NSHDSACASA-N -1 0 355.395 -0.883 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@H]2CCCN2C(=O)[O-])CC1 ZINC000738852801 602602584 /nfs/dbraw/zinc/60/25/84/602602584.db2.gz AICPCHDEFOLMHV-GFCCVEGCSA-N -1 0 369.422 -0.493 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000738852802 602602497 /nfs/dbraw/zinc/60/24/97/602602497.db2.gz AICPCHDEFOLMHV-LBPRGKRZSA-N -1 0 369.422 -0.493 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000738852858 602579401 /nfs/dbraw/zinc/57/94/01/602579401.db2.gz BXHRFGKIAWVJPX-LLVKDONJSA-N -1 0 355.395 -0.883 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000738852860 602579370 /nfs/dbraw/zinc/57/93/70/602579370.db2.gz BXHRFGKIAWVJPX-NSHDSACASA-N -1 0 355.395 -0.883 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)CCN(C(=O)[O-])C(C)C)CC1 ZINC000738852935 602356795 /nfs/dbraw/zinc/35/67/95/602356795.db2.gz CZUHGDJPXGIQHW-UHFFFAOYSA-N -1 0 356.423 -0.040 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000738852941 602356853 /nfs/dbraw/zinc/35/68/53/602356853.db2.gz DDPMKWBUOLHSNA-SNVBAGLBSA-N -1 0 358.420 -0.765 20 0 FBADRM CC(C)N1C(=O)CN(CN(C)CC(=O)N2CCN(C(=O)[O-])CC2)C1=O ZINC000738853200 602255771 /nfs/dbraw/zinc/25/57/71/602255771.db2.gz RAHQCICJBLBCCH-UHFFFAOYSA-N -1 0 355.395 -0.630 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])CC1 ZINC000738853292 603015034 /nfs/dbraw/zinc/01/50/34/603015034.db2.gz HBBSSHPLQBLPKX-NEPJUHHUSA-N -1 0 354.407 -0.382 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[C@H]2NC(=O)[O-])CC1 ZINC000738853294 603015275 /nfs/dbraw/zinc/01/52/75/603015275.db2.gz HBBSSHPLQBLPKX-NWDGAFQWSA-N -1 0 354.407 -0.382 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])CC1 ZINC000738853296 603015109 /nfs/dbraw/zinc/01/51/09/603015109.db2.gz HBBSSHPLQBLPKX-RYUDHWBXSA-N -1 0 354.407 -0.382 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])CC1 ZINC000738853298 603015271 /nfs/dbraw/zinc/01/52/71/603015271.db2.gz HBBSSHPLQBLPKX-VXGBXAGGSA-N -1 0 354.407 -0.382 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)NCC[C@@H](C)NC(=O)[O-])CC1 ZINC000738853473 602557705 /nfs/dbraw/zinc/55/77/05/602557705.db2.gz IFOZRZUZOAFJRD-LLVKDONJSA-N -1 0 357.411 -0.589 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)NCC[C@H](C)NC(=O)[O-])CC1 ZINC000738853476 602557825 /nfs/dbraw/zinc/55/78/25/602557825.db2.gz IFOZRZUZOAFJRD-NSHDSACASA-N -1 0 357.411 -0.589 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)C2(NC(=O)[O-])CCCC2)CC1 ZINC000738853597 602356893 /nfs/dbraw/zinc/35/68/93/602356893.db2.gz JVDGRGHBSHNEIV-UHFFFAOYSA-N -1 0 354.407 -0.238 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCCN2C(=O)[O-])CC1 ZINC000738854056 602494381 /nfs/dbraw/zinc/49/43/81/602494381.db2.gz LVYXLQIYXSGXBP-GFCCVEGCSA-N -1 0 354.407 -0.286 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCCN2C(=O)[O-])CC1 ZINC000738854058 602494537 /nfs/dbraw/zinc/49/45/37/602494537.db2.gz LVYXLQIYXSGXBP-LBPRGKRZSA-N -1 0 354.407 -0.286 20 0 FBADRM CC(C)NC(=O)CNC(=S)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738854258 601976499 /nfs/dbraw/zinc/97/64/99/601976499.db2.gz BMHZYIPYGUVPHI-UHFFFAOYSA-N -1 0 359.452 -0.861 20 0 FBADRM CC(C)NC(=O)CN1CCN(C(=O)NC[C@H]2CCCN2C(=O)[O-])CC1 ZINC000738854285 602615288 /nfs/dbraw/zinc/61/52/88/602615288.db2.gz BVHIGGPVUFXZAI-CYBMUJFWSA-N -1 0 355.439 -0.019 20 0 FBADRM CC(C)NC(=O)CN1CCN(C(=O)NC[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000738854289 602615112 /nfs/dbraw/zinc/61/51/12/602615112.db2.gz BVHIGGPVUFXZAI-ZDUSSCGKSA-N -1 0 355.439 -0.019 20 0 FBADRM CC(C)NC(=O)CN(C)CC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000738854770 602493118 /nfs/dbraw/zinc/49/31/18/602493118.db2.gz GWPUMFATDUNKOJ-UHFFFAOYSA-N -1 0 357.455 -0.803 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000738854897 602845060 /nfs/dbraw/zinc/84/50/60/602845060.db2.gz QGXICSKKZMBNAJ-GFCCVEGCSA-N -1 0 371.438 -0.343 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@H](NC(=O)[O-])C(C)C)CC1 ZINC000738854898 602845035 /nfs/dbraw/zinc/84/50/35/602845035.db2.gz QGXICSKKZMBNAJ-LBPRGKRZSA-N -1 0 371.438 -0.343 20 0 FBADRM CC(C)NC(=O)CN1CCN(C(=O)N[C@H](CNC(=O)[O-])C2CC2)CC1 ZINC000738855194 603131914 /nfs/dbraw/zinc/13/19/14/603131914.db2.gz KRURKUFENZIAHS-CYBMUJFWSA-N -1 0 355.439 -0.116 20 0 FBADRM CC(C)NC(=O)CN1CCN(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)CC1 ZINC000738855195 603131943 /nfs/dbraw/zinc/13/19/43/603131943.db2.gz KRURKUFENZIAHS-ZDUSSCGKSA-N -1 0 355.439 -0.116 20 0 FBADRM CC(C)NC(=O)CN1CCN(C(=O)NCCN(C(=O)[O-])C2CC2)CC1 ZINC000738855354 602078661 /nfs/dbraw/zinc/07/86/61/602078661.db2.gz LDHGCHDQUBHJLF-UHFFFAOYSA-N -1 0 355.439 -0.019 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)NCCN(C(=O)[O-])C2CC2)CC1 ZINC000738855361 602078477 /nfs/dbraw/zinc/07/84/77/602078477.db2.gz VDHWZWCVHQPEFK-UHFFFAOYSA-N -1 0 369.422 -0.493 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H](CNC(=O)[O-])C2CC2)CC1 ZINC000738855656 603090561 /nfs/dbraw/zinc/09/05/61/603090561.db2.gz XTWKLANGPSFYDX-GFCCVEGCSA-N -1 0 369.422 -0.589 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)CC1 ZINC000738855658 603090871 /nfs/dbraw/zinc/09/08/71/603090871.db2.gz XTWKLANGPSFYDX-LBPRGKRZSA-N -1 0 369.422 -0.589 20 0 FBADRM CC(C)NC(=O)CN(C)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000738855873 603045639 /nfs/dbraw/zinc/04/56/39/603045639.db2.gz QWTNCZOZUSTURB-UHFFFAOYSA-N -1 0 355.395 -0.535 20 0 FBADRM CC(C)NC(=O)CNC(=S)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000738856260 601976647 /nfs/dbraw/zinc/97/66/47/601976647.db2.gz FVGHDGLDUWQRSD-LLVKDONJSA-N -1 0 373.479 -0.519 20 0 FBADRM CC(C)NC(=O)CNC(=S)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000738856262 601976656 /nfs/dbraw/zinc/97/66/56/601976656.db2.gz FVGHDGLDUWQRSD-NSHDSACASA-N -1 0 373.479 -0.519 20 0 FBADRM CC(C)NC(=O)CCCC(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738856366 602569081 /nfs/dbraw/zinc/56/90/81/602569081.db2.gz XIIKOZKRXSEPDJ-UHFFFAOYSA-N -1 0 356.423 -0.038 20 0 FBADRM CC(C)NC(=O)CN1CCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000738856381 603384394 /nfs/dbraw/zinc/38/43/94/603384394.db2.gz YBJSSELPQCNLLX-AWEZNQCLSA-N -1 0 370.450 -0.186 20 0 FBADRM CC(C)NC(=O)CN1CCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000738856382 603384836 /nfs/dbraw/zinc/38/48/36/603384836.db2.gz YBJSSELPQCNLLX-CQSZACIVSA-N -1 0 370.450 -0.186 20 0 FBADRM Cc1nnc(CN2CCN(CC(=O)N3CCC(C(=O)[O-])CC3)CC2)[nH]1 ZINC000738857150 600558564 /nfs/dbraw/zinc/55/85/64/600558564.db2.gz JBLJLSCNYGTKJM-UHFFFAOYSA-N -1 0 350.423 -0.446 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000738859614 602091179 /nfs/dbraw/zinc/09/11/79/602091179.db2.gz IWKUBCQMKLETOL-UHFFFAOYSA-N -1 0 373.391 -0.446 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000738860532 603171864 /nfs/dbraw/zinc/17/18/64/603171864.db2.gz PDYYSBSXECTZFG-UHFFFAOYSA-N -1 0 364.468 -0.495 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000738860586 603405180 /nfs/dbraw/zinc/40/51/80/603405180.db2.gz QBNVQQOIYGZBTA-LLVKDONJSA-N -1 0 351.425 -0.411 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000738860589 603405216 /nfs/dbraw/zinc/40/52/16/603405216.db2.gz QBNVQQOIYGZBTA-NSHDSACASA-N -1 0 351.425 -0.411 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738860937 602625564 /nfs/dbraw/zinc/62/55/64/602625564.db2.gz RIEFKZDUBGJVER-LLVKDONJSA-N -1 0 350.441 -0.045 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738860938 602625921 /nfs/dbraw/zinc/62/59/21/602625921.db2.gz RIEFKZDUBGJVER-NSHDSACASA-N -1 0 350.441 -0.045 20 0 FBADRM CC(C)OC(=O)N1CCC(NC(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000738861333 603005957 /nfs/dbraw/zinc/00/59/57/603005957.db2.gz XEGHJKICZYWFIF-UHFFFAOYSA-N -1 0 370.406 -0.066 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)c1csc(CNC(=O)[O-])n1 ZINC000738861578 602700804 /nfs/dbraw/zinc/70/08/04/602700804.db2.gz XCUNPPZVNDJPNN-UHFFFAOYSA-N -1 0 350.422 -0.032 20 0 FBADRM Cc1nc2c(cnn2C)c(N2CCN(CC(=O)NCCC(=O)[O-])CC2)n1 ZINC000738864671 599969715 /nfs/dbraw/zinc/96/97/15/599969715.db2.gz QXHPKFZDWPFLAO-UHFFFAOYSA-N -1 0 361.406 -0.615 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCC(C(=O)NC[C@H](C)C(=O)[O-])CC2)cn1C ZINC000738864784 599771659 /nfs/dbraw/zinc/77/16/59/599771659.db2.gz DFYDEGBANYOQKM-JTQLQIEISA-N -1 0 372.447 -0.034 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](C)C(=O)[O-])CC2)cn1C ZINC000738864786 599771613 /nfs/dbraw/zinc/77/16/13/599771613.db2.gz DFYDEGBANYOQKM-SNVBAGLBSA-N -1 0 372.447 -0.034 20 0 FBADRM Cc1nc2c(cnn2C)c(N2CCN([C@@H](C)C(=O)NCC(=O)[O-])CC2)n1 ZINC000738865084 599970234 /nfs/dbraw/zinc/97/02/34/599970234.db2.gz UUDBTEKFYJHQLM-JTQLQIEISA-N -1 0 361.406 -0.617 20 0 FBADRM Cc1nc2c(cnn2C)c(N2CCN([C@H](C)C(=O)NCC(=O)[O-])CC2)n1 ZINC000738865088 599969876 /nfs/dbraw/zinc/96/98/76/599969876.db2.gz UUDBTEKFYJHQLM-SNVBAGLBSA-N -1 0 361.406 -0.617 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cn1C ZINC000738868185 603191157 /nfs/dbraw/zinc/19/11/57/603191157.db2.gz BIVWVQRFUKOQRC-LLVKDONJSA-N -1 0 373.435 -0.344 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CCCN(C(=O)[O-])C2)cn1C ZINC000738868186 605698341 /nfs/dbraw/zinc/69/83/41/605698341.db2.gz BIVWVQRFUKOQRC-NSHDSACASA-N -1 0 373.435 -0.344 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCC(C(=O)OCCNC(=O)[O-])CC2)cn1C ZINC000738868191 602996280 /nfs/dbraw/zinc/99/62/80/602996280.db2.gz BOFZADTWYFRBDA-UHFFFAOYSA-N -1 0 374.419 -0.060 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NC2(C(=O)[O-])CCCCC2)cn1C ZINC000738868199 599928662 /nfs/dbraw/zinc/92/86/62/599928662.db2.gz CWELMXHRNHXBCM-UHFFFAOYSA-N -1 0 358.420 -0.089 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N(CCC(=O)[O-])CC(C)C)cn1C ZINC000738868201 599739968 /nfs/dbraw/zinc/73/99/68/599739968.db2.gz DBPDMMMBUHFBBB-UHFFFAOYSA-N -1 0 360.436 -0.034 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NCCSCC(=O)[O-])cn1C ZINC000738868204 599888056 /nfs/dbraw/zinc/88/80/56/599888056.db2.gz DNMCLYKASFZFJN-UHFFFAOYSA-N -1 0 364.449 -0.669 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cn1C ZINC000738868217 599930259 /nfs/dbraw/zinc/93/02/59/599930259.db2.gz FBYYTIUNZJBMFZ-SECBINFHSA-N -1 0 358.420 -0.281 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N(C[C@H](C)C(=O)[O-])C2CC2)cn1C ZINC000738868218 599930255 /nfs/dbraw/zinc/93/02/55/599930255.db2.gz FBYYTIUNZJBMFZ-VIFPVBQESA-N -1 0 358.420 -0.281 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NC2CCN(C(=O)[O-])CC2)cn1C ZINC000738868478 599740126 /nfs/dbraw/zinc/74/01/26/599740126.db2.gz HSEFCWRNNGJSTD-UHFFFAOYSA-N -1 0 359.408 -0.735 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(Cn3cnc(C(=O)[O-])n3)CC2)cs1 ZINC000738868498 599958326 /nfs/dbraw/zinc/95/83/26/599958326.db2.gz IDGCFSOFYDTJFR-UHFFFAOYSA-N -1 0 372.432 -0.295 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NCc2ccc(C(=O)[O-])o2)cn1C ZINC000738868538 600496720 /nfs/dbraw/zinc/49/67/20/600496720.db2.gz JOIIKAFYKXYRKP-UHFFFAOYSA-N -1 0 356.360 -0.386 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NCCSCCC(=O)[O-])cn1C ZINC000738868594 600261770 /nfs/dbraw/zinc/26/17/70/600261770.db2.gz KTYRSRFUELGMET-UHFFFAOYSA-N -1 0 364.449 -0.669 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(C(=O)[O-])C2)cn1C ZINC000738868596 605696022 /nfs/dbraw/zinc/69/60/22/605696022.db2.gz KUNIOAODHDUTHR-JTQLQIEISA-N -1 0 359.408 -0.735 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cn1C ZINC000738868597 603203923 /nfs/dbraw/zinc/20/39/23/603203923.db2.gz KUNIOAODHDUTHR-SNVBAGLBSA-N -1 0 359.408 -0.735 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N[C@](C)(C(=O)[O-])C2CC2)cn1C ZINC000738868620 600199273 /nfs/dbraw/zinc/19/92/73/600199273.db2.gz LDHXPKFLGTXRMM-AWEZNQCLSA-N -1 0 358.420 -0.234 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N[C@@](C)(C(=O)[O-])C2CC2)cn1C ZINC000738868626 600199238 /nfs/dbraw/zinc/19/92/38/600199238.db2.gz LDHXPKFLGTXRMM-CQSZACIVSA-N -1 0 358.420 -0.234 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(Cn3cc(C(=O)[O-])nn3)CC2)cs1 ZINC000738868846 599958251 /nfs/dbraw/zinc/95/82/51/599958251.db2.gz NBTWHQJTTJGNHQ-UHFFFAOYSA-N -1 0 372.432 -0.295 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)N1CCN(c2cnccn2)CC1 ZINC000738868928 601966405 /nfs/dbraw/zinc/96/64/05/601966405.db2.gz JSPXQUBFUFLCJG-AWEZNQCLSA-N -1 0 364.406 -0.466 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)[O-])CC2)cn1C ZINC000738869129 599740138 /nfs/dbraw/zinc/74/01/38/599740138.db2.gz RCQSISUODQQSLN-UHFFFAOYSA-N -1 0 359.408 -0.781 20 0 FBADRM CC(C)[C@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)N1CCCC1 ZINC000738869486 603005690 /nfs/dbraw/zinc/00/56/90/603005690.db2.gz JLFIMUCXVIXBFC-AWEZNQCLSA-N -1 0 354.407 -0.428 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)Nc2cc(C(=O)[O-])ccn2)cn1C ZINC000738869508 600431268 /nfs/dbraw/zinc/43/12/68/600431268.db2.gz UOPDWIJSWWNCHX-UHFFFAOYSA-N -1 0 353.360 -0.261 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)CN(C)C(=O)[O-])CC2)cs1 ZINC000738869583 602319887 /nfs/dbraw/zinc/31/98/87/602319887.db2.gz WIAAMNQYLCXTRI-UHFFFAOYSA-N -1 0 362.433 -0.106 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NC2CCN(C(=O)[O-])CC2)cn1C ZINC000738869687 599740087 /nfs/dbraw/zinc/74/00/87/599740087.db2.gz XVVUSFZVUDGELX-UHFFFAOYSA-N -1 0 373.435 -0.344 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cn1C ZINC000738869688 600270453 /nfs/dbraw/zinc/27/04/53/600270453.db2.gz XYFHUUWEOFSWJU-LLVKDONJSA-N -1 0 370.431 -0.280 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cn1C ZINC000738869692 600270528 /nfs/dbraw/zinc/27/05/28/600270528.db2.gz XYFHUUWEOFSWJU-NSHDSACASA-N -1 0 370.431 -0.280 20 0 FBADRM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)OCC(=O)NCCC(=O)[O-] ZINC000738871417 599871285 /nfs/dbraw/zinc/87/12/85/599871285.db2.gz DMWSTKXLJHMIIH-UHFFFAOYSA-N -1 0 364.358 -0.033 20 0 FBADRM Cc1nc2c(c(=O)n(CN3CCNC(=O)C3)n2C)c(C)c1CCC(=O)[O-] ZINC000738871704 600553198 /nfs/dbraw/zinc/55/31/98/600553198.db2.gz IRBXOIIXMZRXDG-UHFFFAOYSA-N -1 0 361.402 -0.242 20 0 FBADRM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)OCC(=O)NCCC(=O)[O-] ZINC000738872148 599992296 /nfs/dbraw/zinc/99/22/96/599992296.db2.gz BRTSWRRGGFCFMZ-UHFFFAOYSA-N -1 0 350.331 -0.272 20 0 FBADRM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000738872344 599871373 /nfs/dbraw/zinc/87/13/73/599871373.db2.gz RESVTHGIBRCSSX-SECBINFHSA-N -1 0 364.358 -0.034 20 0 FBADRM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000738872345 599871134 /nfs/dbraw/zinc/87/11/34/599871134.db2.gz RESVTHGIBRCSSX-VIFPVBQESA-N -1 0 364.358 -0.034 20 0 FBADRM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)OCC(=O)NCC(=O)[O-] ZINC000738872998 599871235 /nfs/dbraw/zinc/87/12/35/599871235.db2.gz YKCJZIBPTLKAKG-UHFFFAOYSA-N -1 0 350.331 -0.423 20 0 FBADRM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000738873190 599992176 /nfs/dbraw/zinc/99/21/76/599992176.db2.gz QEVKOTVKSLPCTF-SECBINFHSA-N -1 0 350.331 -0.273 20 0 FBADRM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000738873192 599992389 /nfs/dbraw/zinc/99/23/89/599992389.db2.gz QEVKOTVKSLPCTF-VIFPVBQESA-N -1 0 350.331 -0.273 20 0 FBADRM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000738873615 599989458 /nfs/dbraw/zinc/98/94/58/599989458.db2.gz YWWVZYXQMXTZSE-LLVKDONJSA-N -1 0 361.358 -0.604 20 0 FBADRM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000738873616 599989680 /nfs/dbraw/zinc/98/96/80/599989680.db2.gz YWWVZYXQMXTZSE-NSHDSACASA-N -1 0 361.358 -0.604 20 0 FBADRM Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1CCC(=O)NCC(=O)[O-] ZINC000738876205 600318332 /nfs/dbraw/zinc/31/83/32/600318332.db2.gz GIWQQKCKTWYRJB-INIZCTEOSA-N -1 0 359.386 -0.293 20 0 FBADRM Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1CCC(=O)NCC(=O)[O-] ZINC000738876206 600318573 /nfs/dbraw/zinc/31/85/73/600318573.db2.gz GIWQQKCKTWYRJB-MRXNPFEDSA-N -1 0 359.386 -0.293 20 0 FBADRM Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1CC(=O)NCCC(=O)[O-] ZINC000738876819 600019492 /nfs/dbraw/zinc/01/94/92/600019492.db2.gz KYGSDRLZLNRJRL-INIZCTEOSA-N -1 0 359.386 -0.293 20 0 FBADRM Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1CC(=O)NCCC(=O)[O-] ZINC000738876820 600019272 /nfs/dbraw/zinc/01/92/72/600019272.db2.gz KYGSDRLZLNRJRL-MRXNPFEDSA-N -1 0 359.386 -0.293 20 0 FBADRM CC(C)c1nc2n(n1)C[C@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)CC2 ZINC000738879687 603104951 /nfs/dbraw/zinc/10/49/51/603104951.db2.gz JMTQOIMZLKFUCY-LLVKDONJSA-N -1 0 364.406 -0.345 20 0 FBADRM CC(C)c1nc2n(n1)C[C@@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)CC2 ZINC000738879688 603104939 /nfs/dbraw/zinc/10/49/39/603104939.db2.gz JMTQOIMZLKFUCY-NSHDSACASA-N -1 0 364.406 -0.345 20 0 FBADRM CC(C)c1nnc2n1CCN(C(=O)CN1CCN(C(=O)[O-])CC1=O)C2 ZINC000738880284 603006053 /nfs/dbraw/zinc/00/60/53/603006053.db2.gz CZYCMNOOFCIIJN-UHFFFAOYSA-N -1 0 350.379 -0.434 20 0 FBADRM CC(C)c1nnc2n1C[C@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)CC2 ZINC000738882316 602998950 /nfs/dbraw/zinc/99/89/50/602998950.db2.gz QYDIJGBKIRFAPF-LLVKDONJSA-N -1 0 364.406 -0.345 20 0 FBADRM CC(C)c1nnc2n1C[C@@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)CC2 ZINC000738882317 602998982 /nfs/dbraw/zinc/99/89/82/602998982.db2.gz QYDIJGBKIRFAPF-NSHDSACASA-N -1 0 364.406 -0.345 20 0 FBADRM CC(C)N1C(=S)N=NC1CCNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738885826 603027474 /nfs/dbraw/zinc/02/74/74/603027474.db2.gz AHFJLWHZGQHNLF-UHFFFAOYSA-N -1 0 370.435 -0.371 20 0 FBADRM CC(C)N1C(=S)N=NC1CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738887138 603027831 /nfs/dbraw/zinc/02/78/31/603027831.db2.gz YSXFWBHZDMTAHS-UHFFFAOYSA-N -1 0 356.408 -0.414 20 0 FBADRM Cc1nccn1-c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC000738887576 600053534 /nfs/dbraw/zinc/05/35/34/600053534.db2.gz PHUZUUGVHHAKQJ-GFCCVEGCSA-N -1 0 359.342 -0.174 20 0 FBADRM Cc1nccn1-c1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cn1 ZINC000738887577 600053412 /nfs/dbraw/zinc/05/34/12/600053412.db2.gz PHUZUUGVHHAKQJ-LBPRGKRZSA-N -1 0 359.342 -0.174 20 0 FBADRM C[C@H](C1CC1)N(C)S(=O)(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738888913 602043114 /nfs/dbraw/zinc/04/31/14/602043114.db2.gz FZVVPIRGYCGIAQ-LLVKDONJSA-N -1 0 362.452 -0.285 20 0 FBADRM C[C@@H](C1CC1)N(C)S(=O)(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738888914 602043239 /nfs/dbraw/zinc/04/32/39/602043239.db2.gz FZVVPIRGYCGIAQ-NSHDSACASA-N -1 0 362.452 -0.285 20 0 FBADRM C[C@H](CCNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F)NC(=O)[O-] ZINC000738895656 603405205 /nfs/dbraw/zinc/40/52/05/603405205.db2.gz KNHALDKJYRYUBR-MRVPVSSYSA-N -1 0 365.325 -0.098 20 0 FBADRM C[C@@H](CCNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F)NC(=O)[O-] ZINC000738895657 603405193 /nfs/dbraw/zinc/40/51/93/603405193.db2.gz KNHALDKJYRYUBR-QMMMGPOBSA-N -1 0 365.325 -0.098 20 0 FBADRM C[C@H](CCNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)NC(=O)[O-] ZINC000738896420 603405124 /nfs/dbraw/zinc/40/51/24/603405124.db2.gz OLTPGOHKTJQYEH-MRVPVSSYSA-N -1 0 358.376 -0.565 20 0 FBADRM C[C@@H](CCNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)NC(=O)[O-] ZINC000738896421 603405443 /nfs/dbraw/zinc/40/54/43/603405443.db2.gz OLTPGOHKTJQYEH-QMMMGPOBSA-N -1 0 358.376 -0.565 20 0 FBADRM C[C@@H](CCNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NC(=O)[O-] ZINC000738897141 602494920 /nfs/dbraw/zinc/49/49/20/602494920.db2.gz IBGBEULIRWKZPT-KBPBESRZSA-N -1 0 370.450 -0.138 20 0 FBADRM C[C@H](CCNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NC(=O)[O-] ZINC000738897142 602494957 /nfs/dbraw/zinc/49/49/57/602494957.db2.gz IBGBEULIRWKZPT-KGLIPLIRSA-N -1 0 370.450 -0.138 20 0 FBADRM C[C@@H](CCNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NC(=O)[O-] ZINC000738897355 602494891 /nfs/dbraw/zinc/49/48/91/602494891.db2.gz IBGBEULIRWKZPT-UONOGXRCSA-N -1 0 370.450 -0.138 20 0 FBADRM C[C@H](CCNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NC(=O)[O-] ZINC000738897356 602495311 /nfs/dbraw/zinc/49/53/11/602495311.db2.gz IBGBEULIRWKZPT-ZIAGYGMSSA-N -1 0 370.450 -0.138 20 0 FBADRM C[C@H](CCNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)NC(=O)[O-] ZINC000738898918 602555829 /nfs/dbraw/zinc/55/58/29/602555829.db2.gz BQUVQXWDAFZTIY-GFCCVEGCSA-N -1 0 369.422 -0.491 20 0 FBADRM C[C@@H](CCNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)NC(=O)[O-] ZINC000738898920 602556061 /nfs/dbraw/zinc/55/60/61/602556061.db2.gz BQUVQXWDAFZTIY-LBPRGKRZSA-N -1 0 369.422 -0.491 20 0 FBADRM C[C@H](CCNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)NC(=O)[O-] ZINC000738899579 603347742 /nfs/dbraw/zinc/34/77/42/603347742.db2.gz DOZGLPMYTQIKGA-LLVKDONJSA-N -1 0 368.394 -0.090 20 0 FBADRM C[C@@H](CCNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)NC(=O)[O-] ZINC000738899581 603347573 /nfs/dbraw/zinc/34/75/73/603347573.db2.gz DOZGLPMYTQIKGA-NSHDSACASA-N -1 0 368.394 -0.090 20 0 FBADRM C[C@@H](CCNC(=O)NCCS(=O)(=O)N1CCSCC1)NC(=O)[O-] ZINC000738902263 602545249 /nfs/dbraw/zinc/54/52/49/602545249.db2.gz RVFIOCPJVVPOHM-JTQLQIEISA-N -1 0 368.481 -0.290 20 0 FBADRM C[C@H](CCNC(=O)NCCS(=O)(=O)N1CCSCC1)NC(=O)[O-] ZINC000738902284 602545148 /nfs/dbraw/zinc/54/51/48/602545148.db2.gz RVFIOCPJVVPOHM-SNVBAGLBSA-N -1 0 368.481 -0.290 20 0 FBADRM C[C@H](CCNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000738902598 602556140 /nfs/dbraw/zinc/55/61/40/602556140.db2.gz UALPMZMYADLOOV-NXEZZACHSA-N -1 0 364.424 -0.975 20 0 FBADRM C[C@@H](CCNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000738902600 602556166 /nfs/dbraw/zinc/55/61/66/602556166.db2.gz UALPMZMYADLOOV-UWVGGRQHSA-N -1 0 364.424 -0.975 20 0 FBADRM C[C@@H](CCNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000738902601 602556021 /nfs/dbraw/zinc/55/60/21/602556021.db2.gz UALPMZMYADLOOV-VHSXEESVSA-N -1 0 364.424 -0.975 20 0 FBADRM C[C@H](CCNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000738902603 602556069 /nfs/dbraw/zinc/55/60/69/602556069.db2.gz UALPMZMYADLOOV-ZJUUUORDSA-N -1 0 364.424 -0.975 20 0 FBADRM C[C@@H](CCNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)NC(=O)[O-] ZINC000738904694 602558341 /nfs/dbraw/zinc/55/83/41/602558341.db2.gz KVVFQSWUZZBEAU-JTQLQIEISA-N -1 0 355.395 -0.835 20 0 FBADRM C[C@H](CCNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)NC(=O)[O-] ZINC000738904696 602558066 /nfs/dbraw/zinc/55/80/66/602558066.db2.gz KVVFQSWUZZBEAU-SNVBAGLBSA-N -1 0 355.395 -0.835 20 0 FBADRM C[C@H](CCNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)NC(=O)[O-] ZINC000738906190 602315693 /nfs/dbraw/zinc/31/56/93/602315693.db2.gz NZCKVMDYZQPTQK-SSDOTTSWSA-N -1 0 371.375 -0.641 20 0 FBADRM C[C@@H](CCNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)NC(=O)[O-] ZINC000738906191 602315731 /nfs/dbraw/zinc/31/57/31/602315731.db2.gz NZCKVMDYZQPTQK-ZETCQYMHSA-N -1 0 371.375 -0.641 20 0 FBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000738906971 600262950 /nfs/dbraw/zinc/26/29/50/600262950.db2.gz ZGSXRQHGXPKBDM-UHFFFAOYSA-N -1 0 352.391 -0.535 20 0 FBADRM C[C@H](CN1CCCC1=O)NC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000738908703 602621563 /nfs/dbraw/zinc/62/15/63/602621563.db2.gz ATGUEWRYICCFRJ-CYBMUJFWSA-N -1 0 355.439 -0.066 20 0 FBADRM C[C@@H](CN1CCCC1=O)NC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000738908705 602621339 /nfs/dbraw/zinc/62/13/39/602621339.db2.gz ATGUEWRYICCFRJ-ZDUSSCGKSA-N -1 0 355.439 -0.066 20 0 FBADRM C[C@@H](CCNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)NC(=O)[O-] ZINC000738908877 602561514 /nfs/dbraw/zinc/56/15/14/602561514.db2.gz SZZMDQGOZBNCNX-JTQLQIEISA-N -1 0 351.429 -0.834 20 0 FBADRM C[C@H](CCNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)NC(=O)[O-] ZINC000738908881 602561555 /nfs/dbraw/zinc/56/15/55/602561555.db2.gz SZZMDQGOZBNCNX-SNVBAGLBSA-N -1 0 351.429 -0.834 20 0 FBADRM Cc1nn(C)c(C)c1NC(=O)CN(CCN1CCOCC1)CC(=O)[O-] ZINC000738910722 600146304 /nfs/dbraw/zinc/14/63/04/600146304.db2.gz JNGZPLZYVNAARO-UHFFFAOYSA-N -1 0 353.423 -0.306 20 0 FBADRM C[C@H](CCNC(=O)NC1CCN(CCS(C)(=O)=O)CC1)NC(=O)[O-] ZINC000738910824 602749499 /nfs/dbraw/zinc/74/94/99/602749499.db2.gz ZTRNQWSMFOPFDX-LLVKDONJSA-N -1 0 364.468 -0.159 20 0 FBADRM C[C@@H](CCNC(=O)NC1CCN(CCS(C)(=O)=O)CC1)NC(=O)[O-] ZINC000738910825 602749503 /nfs/dbraw/zinc/74/95/03/602749503.db2.gz ZTRNQWSMFOPFDX-NSHDSACASA-N -1 0 364.468 -0.159 20 0 FBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1)N1CCOCC1 ZINC000738911568 602085245 /nfs/dbraw/zinc/08/52/45/602085245.db2.gz MCRHNMOPJGCCDQ-JTQLQIEISA-N -1 0 351.363 -0.053 20 0 FBADRM C[C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1)N1CCOCC1 ZINC000738911569 602085161 /nfs/dbraw/zinc/08/51/61/602085161.db2.gz MCRHNMOPJGCCDQ-SNVBAGLBSA-N -1 0 351.363 -0.053 20 0 FBADRM C[C@H](CN(C)C(=O)[O-])c1noc(CNS(=O)(=O)c2cnn(C)c2)n1 ZINC000738912388 603013877 /nfs/dbraw/zinc/01/38/77/603013877.db2.gz KCNWLTKUQKOPAG-MRVPVSSYSA-N -1 0 358.380 -0.005 20 0 FBADRM C[C@@H](CN(C)C(=O)[O-])c1noc(CNS(=O)(=O)c2cnn(C)c2)n1 ZINC000738912389 603013831 /nfs/dbraw/zinc/01/38/31/603013831.db2.gz KCNWLTKUQKOPAG-QMMMGPOBSA-N -1 0 358.380 -0.005 20 0 FBADRM C[C@H](CN(C)C(=O)[O-])C(N)=NOCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000738912863 602672308 /nfs/dbraw/zinc/67/23/08/602672308.db2.gz WYVPKPMBWNYHNA-LLVKDONJSA-N -1 0 369.422 -0.188 20 0 FBADRM C[C@@H](CN(C)C(=O)[O-])C(N)=NOCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000738912866 602672659 /nfs/dbraw/zinc/67/26/59/602672659.db2.gz WYVPKPMBWNYHNA-NSHDSACASA-N -1 0 369.422 -0.188 20 0 FBADRM C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000738913318 602085472 /nfs/dbraw/zinc/08/54/72/602085472.db2.gz UDWJZRNTISZISV-JTQLQIEISA-N -1 0 351.363 -0.053 20 0 FBADRM C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000738913319 602085218 /nfs/dbraw/zinc/08/52/18/602085218.db2.gz UDWJZRNTISZISV-SNVBAGLBSA-N -1 0 351.363 -0.053 20 0 FBADRM C[C@@H](CN1CCOCC1)NC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000738913543 602615748 /nfs/dbraw/zinc/61/57/48/602615748.db2.gz VLBVYXLXPXKSEA-AWEZNQCLSA-N -1 0 357.455 -0.356 20 0 FBADRM C[C@H](CN1CCOCC1)NC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000738913547 602615766 /nfs/dbraw/zinc/61/57/66/602615766.db2.gz VLBVYXLXPXKSEA-CQSZACIVSA-N -1 0 357.455 -0.356 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000738916117 600162294 /nfs/dbraw/zinc/16/22/94/600162294.db2.gz WWOJAKOREAXSOL-UHFFFAOYSA-N -1 0 360.436 -0.556 20 0 FBADRM C[C@H](CNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)CN1CCOCC1 ZINC000738916529 602907873 /nfs/dbraw/zinc/90/78/73/602907873.db2.gz AJNSKLAEQCLSAH-CYBMUJFWSA-N -1 0 371.438 -0.924 20 0 FBADRM C[C@@H](CNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)CN1CCOCC1 ZINC000738916533 602907963 /nfs/dbraw/zinc/90/79/63/602907963.db2.gz AJNSKLAEQCLSAH-ZDUSSCGKSA-N -1 0 371.438 -0.924 20 0 FBADRM C[C@@H](CNC(=O)N(C)CCN1CCN(C(=O)[O-])CC1)CN1CCOCC1 ZINC000738917021 602920548 /nfs/dbraw/zinc/92/05/48/602920548.db2.gz OXQHKGPMHAVASZ-HNNXBMFYSA-N -1 0 371.482 -0.108 20 0 FBADRM C[C@H](CNC(=O)N(C)CCN1CCN(C(=O)[O-])CC1)CN1CCOCC1 ZINC000738917023 602920435 /nfs/dbraw/zinc/92/04/35/602920435.db2.gz OXQHKGPMHAVASZ-OAHLLOKOSA-N -1 0 371.482 -0.108 20 0 FBADRM C[C@@H](CNC(=O)N(C)CCN1CCN(C(=O)[O-])CC1)N1CCOCC1 ZINC000738917798 602615000 /nfs/dbraw/zinc/61/50/00/602615000.db2.gz RIFOKLPCKCIRSN-AWEZNQCLSA-N -1 0 357.455 -0.356 20 0 FBADRM C[C@H](CNC(=O)N(C)CCN1CCN(C(=O)[O-])CC1)N1CCOCC1 ZINC000738917802 602614933 /nfs/dbraw/zinc/61/49/33/602614933.db2.gz RIFOKLPCKCIRSN-CQSZACIVSA-N -1 0 357.455 -0.356 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])cc12 ZINC000738918171 599723526 /nfs/dbraw/zinc/72/35/26/599723526.db2.gz JGIIGAKEWAKLGG-LLVKDONJSA-N -1 0 367.387 -0.759 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])cc12 ZINC000738918176 599723438 /nfs/dbraw/zinc/72/34/38/599723438.db2.gz JGIIGAKEWAKLGG-NSHDSACASA-N -1 0 367.387 -0.759 20 0 FBADRM C[C@@H](CNC(=O)NCCCN1CCN(C(=O)[O-])CC1)CN1CCOCC1 ZINC000738919786 602906488 /nfs/dbraw/zinc/90/64/88/602906488.db2.gz LAOCILFSSILEAE-HNNXBMFYSA-N -1 0 371.482 -0.060 20 0 FBADRM C[C@H](CNC(=O)NCCCN1CCN(C(=O)[O-])CC1)CN1CCOCC1 ZINC000738919787 602906515 /nfs/dbraw/zinc/90/65/15/602906515.db2.gz LAOCILFSSILEAE-OAHLLOKOSA-N -1 0 371.482 -0.060 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1cccnc1N1CCOCC1 ZINC000738921816 602643996 /nfs/dbraw/zinc/64/39/96/602643996.db2.gz CIGIUOAGZJFWMU-LLVKDONJSA-N -1 0 365.390 -0.029 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1cccnc1N1CCOCC1 ZINC000738921818 602644131 /nfs/dbraw/zinc/64/41/31/602644131.db2.gz CIGIUOAGZJFWMU-NSHDSACASA-N -1 0 365.390 -0.029 20 0 FBADRM Cc1nn(CCO)c2ncc(C(=O)OCC(=O)NCCC(=O)[O-])cc12 ZINC000738922041 600367668 /nfs/dbraw/zinc/36/76/68/600367668.db2.gz CJPJWLOILIZPLF-UHFFFAOYSA-N -1 0 350.331 -0.520 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000738922165 602643435 /nfs/dbraw/zinc/64/34/35/602643435.db2.gz BTDUECWLFDRDHV-MRVPVSSYSA-N -1 0 358.376 -0.462 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000738922166 602643566 /nfs/dbraw/zinc/64/35/66/602643566.db2.gz BTDUECWLFDRDHV-QMMMGPOBSA-N -1 0 358.376 -0.462 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000738922177 602645610 /nfs/dbraw/zinc/64/56/10/602645610.db2.gz BWXFXCHPUHIHKD-SECBINFHSA-N -1 0 363.374 -0.070 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000738922178 602645494 /nfs/dbraw/zinc/64/54/94/602645494.db2.gz BWXFXCHPUHIHKD-VIFPVBQESA-N -1 0 363.374 -0.070 20 0 FBADRM C[C@@H](CNC(=O)NCCN1CCN(C(=O)[O-])CC1)CN1CCOCC1 ZINC000738922209 602907724 /nfs/dbraw/zinc/90/77/24/602907724.db2.gz XPUBIKDBUYHTNB-AWEZNQCLSA-N -1 0 357.455 -0.451 20 0 FBADRM C[C@H](CNC(=O)NCCN1CCN(C(=O)[O-])CC1)CN1CCOCC1 ZINC000738922210 602907778 /nfs/dbraw/zinc/90/77/78/602907778.db2.gz XPUBIKDBUYHTNB-CQSZACIVSA-N -1 0 357.455 -0.451 20 0 FBADRM C[C@](CNC(=O)[O-])(NC(=O)CCn1cc(S(N)(=O)=O)cn1)C1CC1 ZINC000738922575 602504905 /nfs/dbraw/zinc/50/49/05/602504905.db2.gz CNMGBXYLBZJZBD-CYBMUJFWSA-N -1 0 359.408 -0.527 20 0 FBADRM C[C@@](CNC(=O)[O-])(NC(=O)CCn1cc(S(N)(=O)=O)cn1)C1CC1 ZINC000738922576 602504803 /nfs/dbraw/zinc/50/48/03/602504803.db2.gz CNMGBXYLBZJZBD-ZDUSSCGKSA-N -1 0 359.408 -0.527 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000738922815 602644354 /nfs/dbraw/zinc/64/43/54/602644354.db2.gz CXQBUVGRZVQTPB-SECBINFHSA-N -1 0 352.347 -0.396 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000738922817 602644329 /nfs/dbraw/zinc/64/43/29/602644329.db2.gz CXQBUVGRZVQTPB-VIFPVBQESA-N -1 0 352.347 -0.396 20 0 FBADRM Cc1nn(CCO)c2ncc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])cc12 ZINC000738922826 600367619 /nfs/dbraw/zinc/36/76/19/600367619.db2.gz MNQYWYXKHVDOIA-SECBINFHSA-N -1 0 350.331 -0.522 20 0 FBADRM Cc1nn(CCO)c2ncc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])cc12 ZINC000738922828 600367509 /nfs/dbraw/zinc/36/75/09/600367509.db2.gz MNQYWYXKHVDOIA-VIFPVBQESA-N -1 0 350.331 -0.522 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000738922893 603417776 /nfs/dbraw/zinc/41/77/76/603417776.db2.gz DLYZSVWOVUSHNT-MRVPVSSYSA-N -1 0 358.376 -0.613 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000738922896 603417760 /nfs/dbraw/zinc/41/77/60/603417760.db2.gz DLYZSVWOVUSHNT-QMMMGPOBSA-N -1 0 358.376 -0.613 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000738923416 602645949 /nfs/dbraw/zinc/64/59/49/602645949.db2.gz FSBYTZZYBXJBIF-SECBINFHSA-N -1 0 352.347 -0.396 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000738923418 602645825 /nfs/dbraw/zinc/64/58/25/602645825.db2.gz FSBYTZZYBXJBIF-VIFPVBQESA-N -1 0 352.347 -0.396 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000738923589 602445821 /nfs/dbraw/zinc/44/58/21/602445821.db2.gz HZENBSBDDQTCPR-NXEZZACHSA-N -1 0 374.419 -0.734 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000738923591 602445886 /nfs/dbraw/zinc/44/58/86/602445886.db2.gz HZENBSBDDQTCPR-UWVGGRQHSA-N -1 0 374.419 -0.734 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000738923594 602445730 /nfs/dbraw/zinc/44/57/30/602445730.db2.gz HZENBSBDDQTCPR-VHSXEESVSA-N -1 0 374.419 -0.734 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000738923595 602445884 /nfs/dbraw/zinc/44/58/84/602445884.db2.gz HZENBSBDDQTCPR-ZJUUUORDSA-N -1 0 374.419 -0.734 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000738923640 602524158 /nfs/dbraw/zinc/52/41/58/602524158.db2.gz IMKBYNVKBWHXAV-CHWSQXEVSA-N -1 0 356.423 -0.718 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000738923641 602524234 /nfs/dbraw/zinc/52/42/34/602524234.db2.gz IMKBYNVKBWHXAV-OLZOCXBDSA-N -1 0 356.423 -0.718 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000738923642 602524142 /nfs/dbraw/zinc/52/41/42/602524142.db2.gz IMKBYNVKBWHXAV-QWHCGFSZSA-N -1 0 356.423 -0.718 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000738923643 602524199 /nfs/dbraw/zinc/52/41/99/602524199.db2.gz IMKBYNVKBWHXAV-STQMWFEESA-N -1 0 356.423 -0.718 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000738924064 602465171 /nfs/dbraw/zinc/46/51/71/602465171.db2.gz KCAGOVAQWWUZPX-JTQLQIEISA-N -1 0 362.394 -0.150 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000738924067 602464991 /nfs/dbraw/zinc/46/49/91/602464991.db2.gz KCAGOVAQWWUZPX-SNVBAGLBSA-N -1 0 362.394 -0.150 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000738924143 603417848 /nfs/dbraw/zinc/41/78/48/603417848.db2.gz IXQMWOHAKGDPEZ-MRVPVSSYSA-N -1 0 365.325 -0.146 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000738924145 603417742 /nfs/dbraw/zinc/41/77/42/603417742.db2.gz IXQMWOHAKGDPEZ-QMMMGPOBSA-N -1 0 365.325 -0.146 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000738926085 602630340 /nfs/dbraw/zinc/63/03/40/602630340.db2.gz JIQFATPAVPKRCL-JTQLQIEISA-N -1 0 368.481 -0.338 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000738926088 602630147 /nfs/dbraw/zinc/63/01/47/602630147.db2.gz JIQFATPAVPKRCL-SNVBAGLBSA-N -1 0 368.481 -0.338 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000738926152 602464470 /nfs/dbraw/zinc/46/44/70/602464470.db2.gz OTABSJVEXBKSPI-KBPBESRZSA-N -1 0 370.450 -0.186 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000738926162 602465165 /nfs/dbraw/zinc/46/51/65/602465165.db2.gz OTABSJVEXBKSPI-KGLIPLIRSA-N -1 0 370.450 -0.186 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000738926166 602464962 /nfs/dbraw/zinc/46/49/62/602464962.db2.gz OTABSJVEXBKSPI-UONOGXRCSA-N -1 0 370.450 -0.186 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000738926170 602464950 /nfs/dbraw/zinc/46/49/50/602464950.db2.gz OTABSJVEXBKSPI-ZIAGYGMSSA-N -1 0 370.450 -0.186 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000738926616 602630922 /nfs/dbraw/zinc/63/09/22/602630922.db2.gz LKIINEZLAHGRTP-LLVKDONJSA-N -1 0 364.468 -0.207 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000738926621 602630873 /nfs/dbraw/zinc/63/08/73/602630873.db2.gz LKIINEZLAHGRTP-NSHDSACASA-N -1 0 364.468 -0.207 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000738927059 602645268 /nfs/dbraw/zinc/64/52/68/602645268.db2.gz UEDXGDKQDOSLMF-MRVPVSSYSA-N -1 0 362.342 -0.035 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000738927063 602645315 /nfs/dbraw/zinc/64/53/15/602645315.db2.gz UEDXGDKQDOSLMF-QMMMGPOBSA-N -1 0 362.342 -0.035 20 0 FBADRM Cc1onc2c1c(C)nn(CN(CCN1CCOCC1)CC(=O)[O-])c2=O ZINC000738928291 600670668 /nfs/dbraw/zinc/67/06/68/600670668.db2.gz PXECZXSUQLAOND-UHFFFAOYSA-N -1 0 365.390 -0.322 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000738929918 602524179 /nfs/dbraw/zinc/52/41/79/602524179.db2.gz YVYDQPDEIXZCSD-GMTAPVOTSA-N -1 0 361.420 -0.864 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000738929919 602524173 /nfs/dbraw/zinc/52/41/73/602524173.db2.gz YVYDQPDEIXZCSD-MXWKQRLJSA-N -1 0 361.420 -0.864 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000738929920 602524155 /nfs/dbraw/zinc/52/41/55/602524155.db2.gz YVYDQPDEIXZCSD-OUAUKWLOSA-N -1 0 361.420 -0.864 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000738929921 602524164 /nfs/dbraw/zinc/52/41/64/602524164.db2.gz YVYDQPDEIXZCSD-VWYCJHECSA-N -1 0 361.420 -0.864 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000738930373 602525614 /nfs/dbraw/zinc/52/56/14/602525614.db2.gz PJOWSZDLKISOSK-SSDOTTSWSA-N -1 0 352.351 -0.591 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000738930375 602525819 /nfs/dbraw/zinc/52/58/19/602525819.db2.gz PJOWSZDLKISOSK-ZETCQYMHSA-N -1 0 352.351 -0.591 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000738930649 602624020 /nfs/dbraw/zinc/62/40/20/602624020.db2.gz VLIFRZVNHYBYJT-JTQLQIEISA-N -1 0 350.441 -0.045 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000738930652 602623956 /nfs/dbraw/zinc/62/39/56/602623956.db2.gz VLIFRZVNHYBYJT-SNVBAGLBSA-N -1 0 350.441 -0.045 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000738930995 602526317 /nfs/dbraw/zinc/52/63/17/602526317.db2.gz QYQJCXGWDDFYIA-SECBINFHSA-N -1 0 355.372 -0.054 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000738931016 602526567 /nfs/dbraw/zinc/52/65/67/602526567.db2.gz QYQJCXGWDDFYIA-VIFPVBQESA-N -1 0 355.372 -0.054 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000738931128 602525330 /nfs/dbraw/zinc/52/53/30/602525330.db2.gz RSVFPFARJDUMKU-LURJTMIESA-N -1 0 363.168 -0.174 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000738931132 602525406 /nfs/dbraw/zinc/52/54/06/602525406.db2.gz RSVFPFARJDUMKU-ZCFIWIBFSA-N -1 0 363.168 -0.174 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000738931468 602524553 /nfs/dbraw/zinc/52/45/53/602524553.db2.gz HBSNWKOBCGWCOI-MRVPVSSYSA-N -1 0 351.363 -0.696 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000738931475 602524599 /nfs/dbraw/zinc/52/45/99/602524599.db2.gz HBSNWKOBCGWCOI-QMMMGPOBSA-N -1 0 351.363 -0.696 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000738934511 602600025 /nfs/dbraw/zinc/60/00/25/602600025.db2.gz UACQFSPCCSTGOM-MRVPVSSYSA-N -1 0 364.362 -0.248 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000738934512 602599985 /nfs/dbraw/zinc/59/99/85/602599985.db2.gz UACQFSPCCSTGOM-QMMMGPOBSA-N -1 0 364.362 -0.248 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000738935513 603347812 /nfs/dbraw/zinc/34/78/12/603347812.db2.gz YXGSLPLFDPXGLB-LLVKDONJSA-N -1 0 368.394 -0.138 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000738935515 603347641 /nfs/dbraw/zinc/34/76/41/603347641.db2.gz YXGSLPLFDPXGLB-NSHDSACASA-N -1 0 368.394 -0.138 20 0 FBADRM Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCSCC(=O)[O-])c1 ZINC000738936567 599911033 /nfs/dbraw/zinc/91/10/33/599911033.db2.gz IMUIWSGOUZLVIK-UHFFFAOYSA-N -1 0 364.387 -0.157 20 0 FBADRM Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000738936579 600051865 /nfs/dbraw/zinc/05/18/65/600051865.db2.gz JSYSPARNDQDDNI-GFCCVEGCSA-N -1 0 360.330 -0.779 20 0 FBADRM Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000738936580 600051893 /nfs/dbraw/zinc/05/18/93/600051893.db2.gz JSYSPARNDQDDNI-LBPRGKRZSA-N -1 0 360.330 -0.779 20 0 FBADRM Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000738936967 600194477 /nfs/dbraw/zinc/19/44/77/600194477.db2.gz BBNRDBINJRYDSR-GFCCVEGCSA-N -1 0 365.321 -0.352 20 0 FBADRM Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000738936969 600194295 /nfs/dbraw/zinc/19/42/95/600194295.db2.gz BBNRDBINJRYDSR-LBPRGKRZSA-N -1 0 365.321 -0.352 20 0 FBADRM Cc1nnc2n1CCN(C(=O)C(=O)N1C[C@H](C(=O)[O-])Oc3ccccc31)C2 ZINC000738937166 600421323 /nfs/dbraw/zinc/42/13/23/600421323.db2.gz YELSVHUNIXYHQR-CYBMUJFWSA-N -1 0 371.353 -0.192 20 0 FBADRM Cc1nnc2n1CCN(C(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc3ccccc31)C2 ZINC000738937167 600421076 /nfs/dbraw/zinc/42/10/76/600421076.db2.gz YELSVHUNIXYHQR-ZDUSSCGKSA-N -1 0 371.353 -0.192 20 0 FBADRM Cc1nnnn1-c1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1F ZINC000738937207 599791398 /nfs/dbraw/zinc/79/13/98/599791398.db2.gz ZTAJZHFKQLAENS-SECBINFHSA-N -1 0 362.321 -0.019 20 0 FBADRM Cc1nnnn1-c1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)ccc1F ZINC000738937209 599791281 /nfs/dbraw/zinc/79/12/81/599791281.db2.gz ZTAJZHFKQLAENS-VIFPVBQESA-N -1 0 362.321 -0.019 20 0 FBADRM Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000738937543 600194341 /nfs/dbraw/zinc/19/43/41/600194341.db2.gz LWFYPOYNTAILEU-GFCCVEGCSA-N -1 0 365.321 -0.352 20 0 FBADRM Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000738937545 600194451 /nfs/dbraw/zinc/19/44/51/600194451.db2.gz LWFYPOYNTAILEU-LBPRGKRZSA-N -1 0 365.321 -0.352 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000738938266 602554196 /nfs/dbraw/zinc/55/41/96/602554196.db2.gz JFPSCFOPTKAUEP-JTQLQIEISA-N -1 0 370.431 -0.189 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000738938268 602554203 /nfs/dbraw/zinc/55/42/03/602554203.db2.gz JFPSCFOPTKAUEP-SNVBAGLBSA-N -1 0 370.431 -0.189 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000738939836 602564784 /nfs/dbraw/zinc/56/47/84/602564784.db2.gz ODTSBWZTYLNFJR-SSDOTTSWSA-N -1 0 371.375 -0.689 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000738939839 602564820 /nfs/dbraw/zinc/56/48/20/602564820.db2.gz ODTSBWZTYLNFJR-ZETCQYMHSA-N -1 0 371.375 -0.689 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000738940439 602566290 /nfs/dbraw/zinc/56/62/90/602566290.db2.gz JKPDXUVUVIOENB-MRVPVSSYSA-N -1 0 351.406 -0.389 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000738940444 602566304 /nfs/dbraw/zinc/56/63/04/602566304.db2.gz JKPDXUVUVIOENB-QMMMGPOBSA-N -1 0 351.406 -0.389 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000738941228 602565704 /nfs/dbraw/zinc/56/57/04/602565704.db2.gz LWYJENRHMKDIHQ-SSDOTTSWSA-N -1 0 356.360 -0.507 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000738941243 602565642 /nfs/dbraw/zinc/56/56/42/602565642.db2.gz LWYJENRHMKDIHQ-ZETCQYMHSA-N -1 0 356.360 -0.507 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000738941866 602559268 /nfs/dbraw/zinc/55/92/68/602559268.db2.gz VIZLAVPKIQZHHJ-CYBMUJFWSA-N -1 0 371.482 -0.367 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000738941867 602559713 /nfs/dbraw/zinc/55/97/13/602559713.db2.gz VIZLAVPKIQZHHJ-ZDUSSCGKSA-N -1 0 371.482 -0.367 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000738942045 602565623 /nfs/dbraw/zinc/56/56/23/602565623.db2.gz YTKYOBZRONLSJN-MRVPVSSYSA-N -1 0 351.406 -0.389 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000738942048 602565711 /nfs/dbraw/zinc/56/57/11/602565711.db2.gz YTKYOBZRONLSJN-QMMMGPOBSA-N -1 0 351.406 -0.389 20 0 FBADRM C[C@H](CS(C)(=O)=O)NC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000738943980 602958529 /nfs/dbraw/zinc/95/85/29/602958529.db2.gz ATWKQYROIMEYQI-LLVKDONJSA-N -1 0 350.441 -0.596 20 0 FBADRM C[C@@H](CS(C)(=O)=O)NC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000738943984 602958562 /nfs/dbraw/zinc/95/85/62/602958562.db2.gz ATWKQYROIMEYQI-NSHDSACASA-N -1 0 350.441 -0.596 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CCNC(=O)[O-])CC1 ZINC000738944426 602606181 /nfs/dbraw/zinc/60/61/81/602606181.db2.gz HUQPZFBXIXOEGT-UHFFFAOYSA-N -1 0 360.392 -0.218 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)NCCC(=O)[O-])CC1 ZINC000738945315 837818654 /nfs/dbraw/zinc/81/86/54/837818654.db2.gz QXRRRJOYVSXJOD-UHFFFAOYSA-N -1 0 374.419 -0.811 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CCN(CCC(=O)NCC(=O)[O-])CC1 ZINC000738945349 600159361 /nfs/dbraw/zinc/15/93/61/600159361.db2.gz RPBSJJQANZXGPQ-UHFFFAOYSA-N -1 0 374.419 -0.811 20 0 FBADRM Cc1noc(CCNC(=O)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)n1 ZINC000738946827 600341180 /nfs/dbraw/zinc/34/11/80/600341180.db2.gz DJPSELGVOILCNZ-GFCCVEGCSA-N -1 0 360.326 -0.084 20 0 FBADRM Cc1noc(CCNC(=O)C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)n1 ZINC000738946828 600340900 /nfs/dbraw/zinc/34/09/00/600340900.db2.gz DJPSELGVOILCNZ-LBPRGKRZSA-N -1 0 360.326 -0.084 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1cnn(CC(N)=O)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738948094 602198020 /nfs/dbraw/zinc/19/80/20/602198020.db2.gz GKXMQLOYWQPPQW-NXEZZACHSA-N -1 0 366.378 -0.798 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1cnn(CC(N)=O)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738948098 602197958 /nfs/dbraw/zinc/19/79/58/602197958.db2.gz GKXMQLOYWQPPQW-UWVGGRQHSA-N -1 0 366.378 -0.798 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1cnn(CC(N)=O)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738948100 602198073 /nfs/dbraw/zinc/19/80/73/602198073.db2.gz GKXMQLOYWQPPQW-VHSXEESVSA-N -1 0 366.378 -0.798 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1cnn(CC(N)=O)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738948103 602197937 /nfs/dbraw/zinc/19/79/37/602197937.db2.gz GKXMQLOYWQPPQW-ZJUUUORDSA-N -1 0 366.378 -0.798 20 0 FBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000738949134 602692830 /nfs/dbraw/zinc/69/28/30/602692830.db2.gz JVWBAITXGYYXIR-LLVKDONJSA-N -1 0 350.441 -0.644 20 0 FBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000738949137 602692634 /nfs/dbraw/zinc/69/26/34/602692634.db2.gz JVWBAITXGYYXIR-NSHDSACASA-N -1 0 350.441 -0.644 20 0 FBADRM C[C@H](CS(C)(=O)=O)NC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000738949334 602980045 /nfs/dbraw/zinc/98/00/45/602980045.db2.gz KLOKXYIQLSFXML-LLVKDONJSA-N -1 0 350.441 -0.644 20 0 FBADRM C[C@@H](CS(C)(=O)=O)NC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000738949344 602980201 /nfs/dbraw/zinc/98/02/01/602980201.db2.gz KLOKXYIQLSFXML-NSHDSACASA-N -1 0 350.441 -0.644 20 0 FBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000738951088 602692806 /nfs/dbraw/zinc/69/28/06/602692806.db2.gz OKMBYWQOHXVIFF-GFCCVEGCSA-N -1 0 364.468 -0.253 20 0 FBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000738951089 602692758 /nfs/dbraw/zinc/69/27/58/602692758.db2.gz OKMBYWQOHXVIFF-LBPRGKRZSA-N -1 0 364.468 -0.253 20 0 FBADRM C[C@@H](CS(C)(=O)=O)N(C(=O)CN1CCN(C(=O)[O-])CC1=O)C1CC1 ZINC000738953152 603005613 /nfs/dbraw/zinc/00/56/13/603005613.db2.gz VNGUGCFQRGXVHI-JTQLQIEISA-N -1 0 361.420 -0.767 20 0 FBADRM C[C@H](CS(C)(=O)=O)N(C(=O)CN1CCN(C(=O)[O-])CC1=O)C1CC1 ZINC000738953153 603005652 /nfs/dbraw/zinc/00/56/52/603005652.db2.gz VNGUGCFQRGXVHI-SNVBAGLBSA-N -1 0 361.420 -0.767 20 0 FBADRM C[C@H](NC(=O)C1(NC(=O)[O-])CCCC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000738953284 602699054 /nfs/dbraw/zinc/69/90/54/602699054.db2.gz PAYMMIYTCBAGNO-JTQLQIEISA-N -1 0 361.420 -0.672 20 0 FBADRM C[C@@H](NC(=O)C1(NC(=O)[O-])CCCC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000738953286 602699084 /nfs/dbraw/zinc/69/90/84/602699084.db2.gz PAYMMIYTCBAGNO-SNVBAGLBSA-N -1 0 361.420 -0.672 20 0 FBADRM C[C@H](CS(C)(=O)=O)NC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000738953783 602844942 /nfs/dbraw/zinc/84/49/42/602844942.db2.gz XASOJWODJLICSS-SECBINFHSA-N -1 0 359.408 -0.244 20 0 FBADRM C[C@@H](CS(C)(=O)=O)NC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000738953788 602845134 /nfs/dbraw/zinc/84/51/34/602845134.db2.gz XASOJWODJLICSS-VIFPVBQESA-N -1 0 359.408 -0.244 20 0 FBADRM Cc1noc2ncc(S(=O)(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])cc12 ZINC000738955386 599939152 /nfs/dbraw/zinc/93/91/52/599939152.db2.gz MSSBKOKMOBMPII-JTQLQIEISA-N -1 0 354.344 -0.505 20 0 FBADRM Cc1noc2ncc(S(=O)(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])cc12 ZINC000738955387 599939114 /nfs/dbraw/zinc/93/91/14/599939114.db2.gz MSSBKOKMOBMPII-SNVBAGLBSA-N -1 0 354.344 -0.505 20 0 FBADRM C[C@@H](NC(=O)[C@H]1CCCCN1C(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000738956579 602699139 /nfs/dbraw/zinc/69/91/39/602699139.db2.gz ANKOAQSKRXTWDD-GHMZBOCLSA-N -1 0 361.420 -0.719 20 0 FBADRM C[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000738956582 602699011 /nfs/dbraw/zinc/69/90/11/602699011.db2.gz ANKOAQSKRXTWDD-MNOVXSKESA-N -1 0 361.420 -0.719 20 0 FBADRM C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000738956586 602699126 /nfs/dbraw/zinc/69/91/26/602699126.db2.gz ANKOAQSKRXTWDD-QWRGUYRKSA-N -1 0 361.420 -0.719 20 0 FBADRM C[C@H](NC(=O)[C@H]1CCCCN1C(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000738956590 602699118 /nfs/dbraw/zinc/69/91/18/602699118.db2.gz ANKOAQSKRXTWDD-WDEREUQCSA-N -1 0 361.420 -0.719 20 0 FBADRM C[C@H](NC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000738958059 603041842 /nfs/dbraw/zinc/04/18/42/603041842.db2.gz FRNXHGALLAXDMJ-AXFHLTTASA-N -1 0 361.420 -0.816 20 0 FBADRM C[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000738958061 603041983 /nfs/dbraw/zinc/04/19/83/603041983.db2.gz FRNXHGALLAXDMJ-DCAQKATOSA-N -1 0 361.420 -0.816 20 0 FBADRM C[C@H](NC(=O)[C@H]1CCC[C@H]1NC(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000738958067 603042017 /nfs/dbraw/zinc/04/20/17/603042017.db2.gz FRNXHGALLAXDMJ-GARJFASQSA-N -1 0 361.420 -0.816 20 0 FBADRM C[C@H](NC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000738958071 603041662 /nfs/dbraw/zinc/04/16/62/603041662.db2.gz FRNXHGALLAXDMJ-HBNTYKKESA-N -1 0 361.420 -0.816 20 0 FBADRM C[C@@H](NC(=O)[C@H]1COCCN1C(=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000738958855 602826192 /nfs/dbraw/zinc/82/61/92/602826192.db2.gz PDKJAKPSDPTVIP-BXKDBHETSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@H](NC(=O)[C@@H]1COCCN1C(=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000738958858 602826254 /nfs/dbraw/zinc/82/62/54/602826254.db2.gz PDKJAKPSDPTVIP-CABZTGNLSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@H](NC(=O)[C@H]1COCCN1C(=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000738958861 602826039 /nfs/dbraw/zinc/82/60/39/602826039.db2.gz PDKJAKPSDPTVIP-JOYOIKCWSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@@H](NC(=O)[C@@H]1COCCN1C(=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000738958862 602826216 /nfs/dbraw/zinc/82/62/16/602826216.db2.gz PDKJAKPSDPTVIP-SKDRFNHKSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@@H](NC(=O)CNS(=O)(=O)c1cnn(C)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738958997 601869949 /nfs/dbraw/zinc/86/99/49/601869949.db2.gz AEBWOURVEZPURY-GHMZBOCLSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@@H](NC(=O)CNS(=O)(=O)c1cnn(C)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738959017 601869927 /nfs/dbraw/zinc/86/99/27/601869927.db2.gz AEBWOURVEZPURY-MNOVXSKESA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H](NC(=O)CNS(=O)(=O)c1cnn(C)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738959026 601870084 /nfs/dbraw/zinc/87/00/84/601870084.db2.gz AEBWOURVEZPURY-QWRGUYRKSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H](NC(=O)CNS(=O)(=O)c1cnn(C)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738959028 601870274 /nfs/dbraw/zinc/87/02/74/601870274.db2.gz AEBWOURVEZPURY-WDEREUQCSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@@H](NC(=O)CCn1cc(S(N)(=O)=O)cn1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738959061 602032384 /nfs/dbraw/zinc/03/23/84/602032384.db2.gz QRTUQMUJOPIXQB-GHMZBOCLSA-N -1 0 373.435 -0.185 20 0 FBADRM C[C@@H](NC(=O)CCn1cc(S(N)(=O)=O)cn1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738959065 602033024 /nfs/dbraw/zinc/03/30/24/602033024.db2.gz QRTUQMUJOPIXQB-MNOVXSKESA-N -1 0 373.435 -0.185 20 0 FBADRM C[C@H](NC(=O)CCn1cc(S(N)(=O)=O)cn1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738959068 602032952 /nfs/dbraw/zinc/03/29/52/602032952.db2.gz QRTUQMUJOPIXQB-QWRGUYRKSA-N -1 0 373.435 -0.185 20 0 FBADRM C[C@H](NC(=O)CCn1cc(S(N)(=O)=O)cn1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738959071 602033184 /nfs/dbraw/zinc/03/31/84/602033184.db2.gz QRTUQMUJOPIXQB-WDEREUQCSA-N -1 0 373.435 -0.185 20 0 FBADRM C[C@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)NCc1ccco1 ZINC000738960120 602997863 /nfs/dbraw/zinc/99/78/63/602997863.db2.gz GYGBDGHNBKFWIF-JTQLQIEISA-N -1 0 352.347 -0.777 20 0 FBADRM C[C@@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)NCc1ccco1 ZINC000738960121 602997633 /nfs/dbraw/zinc/99/76/33/602997633.db2.gz GYGBDGHNBKFWIF-SNVBAGLBSA-N -1 0 352.347 -0.777 20 0 FBADRM CC(C)N(CCC(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000738960286 602699072 /nfs/dbraw/zinc/69/90/72/602699072.db2.gz KNOYUIPFSIMVPS-LLVKDONJSA-N -1 0 363.436 -0.473 20 0 FBADRM CC(C)N(CCC(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000738960288 602699043 /nfs/dbraw/zinc/69/90/43/602699043.db2.gz KNOYUIPFSIMVPS-NSHDSACASA-N -1 0 363.436 -0.473 20 0 FBADRM C[C@@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)NCc1ccccc1 ZINC000738960482 602995731 /nfs/dbraw/zinc/99/57/31/602995731.db2.gz IKLMWGQAMBVWAZ-GFCCVEGCSA-N -1 0 362.386 -0.370 20 0 FBADRM C[C@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)NCc1ccccc1 ZINC000738960484 602995749 /nfs/dbraw/zinc/99/57/49/602995749.db2.gz IKLMWGQAMBVWAZ-LBPRGKRZSA-N -1 0 362.386 -0.370 20 0 FBADRM C[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738960512 601870554 /nfs/dbraw/zinc/87/05/54/601870554.db2.gz VSUDXBXTAQMETP-CMPLNLGQSA-N -1 0 362.452 -0.203 20 0 FBADRM C[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738960521 601870634 /nfs/dbraw/zinc/87/06/34/601870634.db2.gz VSUDXBXTAQMETP-JQWIXIFHSA-N -1 0 362.452 -0.203 20 0 FBADRM C[C@@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738960525 601870846 /nfs/dbraw/zinc/87/08/46/601870846.db2.gz VSUDXBXTAQMETP-PWSUYJOCSA-N -1 0 362.452 -0.203 20 0 FBADRM C[C@@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738960533 601870624 /nfs/dbraw/zinc/87/06/24/601870624.db2.gz VSUDXBXTAQMETP-ZYHUDNBSSA-N -1 0 362.452 -0.203 20 0 FBADRM C[C@H](NC(=O)CCC(C)(C)NC(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000738961914 602832008 /nfs/dbraw/zinc/83/20/08/602832008.db2.gz SDJZVDHHLMRVIU-JTQLQIEISA-N -1 0 363.436 -0.426 20 0 FBADRM C[C@@H](NC(=O)CCC(C)(C)NC(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000738961915 602831942 /nfs/dbraw/zinc/83/19/42/602831942.db2.gz SDJZVDHHLMRVIU-SNVBAGLBSA-N -1 0 363.436 -0.426 20 0 FBADRM C[C@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)N1CCCC[C@H]1C ZINC000738963380 603027729 /nfs/dbraw/zinc/02/77/29/603027729.db2.gz XEWBPHFPSSXATD-NEPJUHHUSA-N -1 0 354.407 -0.286 20 0 FBADRM C[C@@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)N1CCCC[C@@H]1C ZINC000738963382 603027892 /nfs/dbraw/zinc/02/78/92/603027892.db2.gz XEWBPHFPSSXATD-NWDGAFQWSA-N -1 0 354.407 -0.286 20 0 FBADRM C[C@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)N1CCCC[C@@H]1C ZINC000738963385 603027840 /nfs/dbraw/zinc/02/78/40/603027840.db2.gz XEWBPHFPSSXATD-RYUDHWBXSA-N -1 0 354.407 -0.286 20 0 FBADRM C[C@@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)N1CCCC[C@H]1C ZINC000738963387 603027691 /nfs/dbraw/zinc/02/76/91/603027691.db2.gz XEWBPHFPSSXATD-VXGBXAGGSA-N -1 0 354.407 -0.286 20 0 FBADRM Cc1oc(C(=O)[O-])cc1CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000738963939 600215927 /nfs/dbraw/zinc/21/59/27/600215927.db2.gz NODFCVGKTCPOPP-CHWSQXEVSA-N -1 0 358.416 -0.126 20 0 FBADRM Cc1oc(C(=O)[O-])cc1CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000738963942 600215762 /nfs/dbraw/zinc/21/57/62/600215762.db2.gz NODFCVGKTCPOPP-OLZOCXBDSA-N -1 0 358.416 -0.126 20 0 FBADRM Cc1oc(C(=O)[O-])cc1CN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000738963944 600215809 /nfs/dbraw/zinc/21/58/09/600215809.db2.gz NODFCVGKTCPOPP-QWHCGFSZSA-N -1 0 358.416 -0.126 20 0 FBADRM Cc1oc(C(=O)[O-])cc1CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000738963946 600215747 /nfs/dbraw/zinc/21/57/47/600215747.db2.gz NODFCVGKTCPOPP-STQMWFEESA-N -1 0 358.416 -0.126 20 0 FBADRM C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C(=O)[O-] ZINC000738964536 602249480 /nfs/dbraw/zinc/24/94/80/602249480.db2.gz IIJYPBBHYHQFRF-SECBINFHSA-N -1 0 362.429 -0.099 20 0 FBADRM C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C(=O)[O-] ZINC000738964539 597305908 /nfs/dbraw/zinc/30/59/08/597305908.db2.gz IIJYPBBHYHQFRF-VIFPVBQESA-N -1 0 362.429 -0.099 20 0 FBADRM C[C@@H](NC(=O)COC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)C(=O)N(C)C ZINC000738964891 603277423 /nfs/dbraw/zinc/27/74/23/603277423.db2.gz GKFJLRKPPIZVMI-LLVKDONJSA-N -1 0 372.422 -0.803 20 0 FBADRM C[C@H](NC(=O)COC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)C(=O)N(C)C ZINC000738964892 603277202 /nfs/dbraw/zinc/27/72/02/603277202.db2.gz GKFJLRKPPIZVMI-NSHDSACASA-N -1 0 372.422 -0.803 20 0 FBADRM C[C@@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738965048 602033231 /nfs/dbraw/zinc/03/32/31/602033231.db2.gz NQRCPFKHAIOWRL-NXEZZACHSA-N -1 0 359.408 -0.575 20 0 FBADRM C[C@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738965049 602033046 /nfs/dbraw/zinc/03/30/46/602033046.db2.gz NQRCPFKHAIOWRL-UWVGGRQHSA-N -1 0 359.408 -0.575 20 0 FBADRM C[C@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738965050 602033154 /nfs/dbraw/zinc/03/31/54/602033154.db2.gz NQRCPFKHAIOWRL-VHSXEESVSA-N -1 0 359.408 -0.575 20 0 FBADRM C[C@@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738965051 602032966 /nfs/dbraw/zinc/03/29/66/602032966.db2.gz NQRCPFKHAIOWRL-ZJUUUORDSA-N -1 0 359.408 -0.575 20 0 FBADRM Cc1oc(C)c(S(=O)(=O)N2CCN(C(=O)CC(N)=O)CC2)c1C(=O)[O-] ZINC000738965726 600683773 /nfs/dbraw/zinc/68/37/73/600683773.db2.gz KAKLBEYCYOWTMZ-UHFFFAOYSA-N -1 0 373.387 -0.697 20 0 FBADRM C[C@@H](NC(=O)COC(=O)c1csc(CNC(=O)[O-])n1)C(=O)N(C)C ZINC000738965868 602723395 /nfs/dbraw/zinc/72/33/95/602723395.db2.gz UBKIXNYPTMLVNP-SSDOTTSWSA-N -1 0 358.376 -0.340 20 0 FBADRM C[C@H](NC(=O)COC(=O)c1csc(CNC(=O)[O-])n1)C(=O)N(C)C ZINC000738965869 602723350 /nfs/dbraw/zinc/72/33/50/602723350.db2.gz UBKIXNYPTMLVNP-ZETCQYMHSA-N -1 0 358.376 -0.340 20 0 FBADRM C[C@H](NC(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])C(=O)N1CCCCC1 ZINC000738966177 603148179 /nfs/dbraw/zinc/14/81/79/603148179.db2.gz YYKBTWJUDHHZCI-QJPTWQEYSA-N -1 0 371.390 -0.840 20 0 FBADRM C[C@H](NC(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])C(=O)N1CCCCC1 ZINC000738966178 603148381 /nfs/dbraw/zinc/14/83/81/603148381.db2.gz YYKBTWJUDHHZCI-SDDRHHMPSA-N -1 0 371.390 -0.840 20 0 FBADRM C[C@H](NC(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])C(=O)N1CCCCC1 ZINC000738966179 603148171 /nfs/dbraw/zinc/14/81/71/603148171.db2.gz YYKBTWJUDHHZCI-SRVKXCTJSA-N -1 0 371.390 -0.840 20 0 FBADRM C[C@H](NC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])C(=O)N1CCCCC1 ZINC000738966180 603148151 /nfs/dbraw/zinc/14/81/51/603148151.db2.gz YYKBTWJUDHHZCI-TUAOUCFPSA-N -1 0 371.390 -0.840 20 0 FBADRM C[C@@H](NC(=O)NCCN1CCN(C(=O)[O-])CC1)c1nnc2n1CCC2 ZINC000738973292 602624290 /nfs/dbraw/zinc/62/42/90/602624290.db2.gz AVWCRWXEWJOSJG-LLVKDONJSA-N -1 0 351.411 -0.120 20 0 FBADRM C[C@H](NC(=O)NCCN1CCN(C(=O)[O-])CC1)c1nnc2n1CCC2 ZINC000738973297 602624124 /nfs/dbraw/zinc/62/41/24/602624124.db2.gz AVWCRWXEWJOSJG-NSHDSACASA-N -1 0 351.411 -0.120 20 0 FBADRM C[C@H](NC(=O)NCCN1CCN(C(=O)[O-])CC1)[C@H](C)N1CCOCC1 ZINC000738973848 602624764 /nfs/dbraw/zinc/62/47/64/602624764.db2.gz CALVYNQMQMQOIO-KBPBESRZSA-N -1 0 357.455 -0.310 20 0 FBADRM C[C@@H](NC(=O)NCCN1CCN(C(=O)[O-])CC1)[C@H](C)N1CCOCC1 ZINC000738973849 602624827 /nfs/dbraw/zinc/62/48/27/602624827.db2.gz CALVYNQMQMQOIO-KGLIPLIRSA-N -1 0 357.455 -0.310 20 0 FBADRM C[C@H]([C@H](C)NC(=O)NCCN1CCN(C(=O)[O-])CC1)N1CCOCC1 ZINC000738973850 602624803 /nfs/dbraw/zinc/62/48/03/602624803.db2.gz CALVYNQMQMQOIO-UONOGXRCSA-N -1 0 357.455 -0.310 20 0 FBADRM C[C@@H](NC(=O)NCCN1CCN(C(=O)[O-])CC1)[C@@H](C)N1CCOCC1 ZINC000738973851 602624809 /nfs/dbraw/zinc/62/48/09/602624809.db2.gz CALVYNQMQMQOIO-ZIAGYGMSSA-N -1 0 357.455 -0.310 20 0 FBADRM C[C@H](NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)c1nnc2n1CCC2 ZINC000738974732 602624269 /nfs/dbraw/zinc/62/42/69/602624269.db2.gz DGKNVKKWDAXOAB-JTQLQIEISA-N -1 0 365.394 -0.593 20 0 FBADRM C[C@@H](NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)c1nnc2n1CCC2 ZINC000738974733 602624240 /nfs/dbraw/zinc/62/42/40/602624240.db2.gz DGKNVKKWDAXOAB-SNVBAGLBSA-N -1 0 365.394 -0.593 20 0 FBADRM C[C@@H](NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)[C@@H](C)N1CCOCC1 ZINC000738979037 602621394 /nfs/dbraw/zinc/62/13/94/602621394.db2.gz LLCQZQUNOSXERG-CHWSQXEVSA-N -1 0 371.438 -0.783 20 0 FBADRM C[C@@H](NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)[C@H](C)N1CCOCC1 ZINC000738979038 602621612 /nfs/dbraw/zinc/62/16/12/602621612.db2.gz LLCQZQUNOSXERG-OLZOCXBDSA-N -1 0 371.438 -0.783 20 0 FBADRM C[C@H]([C@H](C)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)N1CCOCC1 ZINC000738979039 602621599 /nfs/dbraw/zinc/62/15/99/602621599.db2.gz LLCQZQUNOSXERG-QWHCGFSZSA-N -1 0 371.438 -0.783 20 0 FBADRM C[C@H](NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)[C@H](C)N1CCOCC1 ZINC000738979089 602621331 /nfs/dbraw/zinc/62/13/31/602621331.db2.gz LLCQZQUNOSXERG-STQMWFEESA-N -1 0 371.438 -0.783 20 0 FBADRM Cc1oc(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1C(=O)[O-] ZINC000738979856 600215982 /nfs/dbraw/zinc/21/59/82/600215982.db2.gz FBQQGDFJQMLBLA-KBPBESRZSA-N -1 0 358.416 -0.126 20 0 FBADRM Cc1oc(CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1C(=O)[O-] ZINC000738980279 600215816 /nfs/dbraw/zinc/21/58/16/600215816.db2.gz FBQQGDFJQMLBLA-KGLIPLIRSA-N -1 0 358.416 -0.126 20 0 FBADRM Cc1oc(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1C(=O)[O-] ZINC000738980281 600215937 /nfs/dbraw/zinc/21/59/37/600215937.db2.gz FBQQGDFJQMLBLA-UONOGXRCSA-N -1 0 358.416 -0.126 20 0 FBADRM Cc1oc(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1C(=O)[O-] ZINC000738980282 600215923 /nfs/dbraw/zinc/21/59/23/600215923.db2.gz FBQQGDFJQMLBLA-ZIAGYGMSSA-N -1 0 358.416 -0.126 20 0 FBADRM C[C@@H](NC(=O)[O-])C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000738980739 602676466 /nfs/dbraw/zinc/67/64/66/602676466.db2.gz QZPURGULCCIVTD-CYBMUJFWSA-N -1 0 369.466 -0.661 20 0 FBADRM C[C@H](NC(=O)[O-])C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000738980740 602676618 /nfs/dbraw/zinc/67/66/18/602676618.db2.gz QZPURGULCCIVTD-ZDUSSCGKSA-N -1 0 369.466 -0.661 20 0 FBADRM Cc1occc1C(=O)NCC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000738985051 600442571 /nfs/dbraw/zinc/44/25/71/600442571.db2.gz LQYSDYWMWGYRGY-UHFFFAOYSA-N -1 0 353.375 -0.437 20 0 FBADRM C[C@@H](NC(=O)[O-])C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000738986229 602857331 /nfs/dbraw/zinc/85/73/31/602857331.db2.gz LNLFOJAOKSIQDI-GFCCVEGCSA-N -1 0 364.406 -0.382 20 0 FBADRM C[C@H](NC(=O)[O-])C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000738986232 602857071 /nfs/dbraw/zinc/85/70/71/602857071.db2.gz LNLFOJAOKSIQDI-LBPRGKRZSA-N -1 0 364.406 -0.382 20 0 FBADRM C[C@@H](NC(=O)[O-])C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000738987741 602571641 /nfs/dbraw/zinc/57/16/41/602571641.db2.gz PXHLPUFEPJBTHM-GFCCVEGCSA-N -1 0 359.390 -0.037 20 0 FBADRM C[C@H](NC(=O)[O-])C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000738987743 602571764 /nfs/dbraw/zinc/57/17/64/602571764.db2.gz PXHLPUFEPJBTHM-LBPRGKRZSA-N -1 0 359.390 -0.037 20 0 FBADRM Cc1sc(=O)n(CC(=O)N(CCN2CCOCC2)CC(=O)[O-])c1C ZINC000738991020 600264710 /nfs/dbraw/zinc/26/47/10/600264710.db2.gz WCJYSPPWXUOBEI-UHFFFAOYSA-N -1 0 357.432 -0.228 20 0 FBADRM C[C@@H](NC(=O)[O-])C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000738994760 602251325 /nfs/dbraw/zinc/25/13/25/602251325.db2.gz LTUKCUJXKYRYHL-LLVKDONJSA-N -1 0 350.379 -0.712 20 0 FBADRM C[C@H](NC(=O)[O-])C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000738994761 602251418 /nfs/dbraw/zinc/25/14/18/602251418.db2.gz LTUKCUJXKYRYHL-NSHDSACASA-N -1 0 350.379 -0.712 20 0 FBADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 ZINC000738995371 602407328 /nfs/dbraw/zinc/40/73/28/602407328.db2.gz CCOYNMYOLJFTQF-JTQLQIEISA-N -1 0 373.435 -0.185 20 0 FBADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 ZINC000738995373 602407392 /nfs/dbraw/zinc/40/73/92/602407392.db2.gz CCOYNMYOLJFTQF-SNVBAGLBSA-N -1 0 373.435 -0.185 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000738995644 602013415 /nfs/dbraw/zinc/01/34/15/602013415.db2.gz OLJTYDMCBSXXJX-CMPLNLGQSA-N -1 0 362.452 -0.061 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000738995645 602013463 /nfs/dbraw/zinc/01/34/63/602013463.db2.gz OLJTYDMCBSXXJX-JQWIXIFHSA-N -1 0 362.452 -0.061 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000738995646 602013358 /nfs/dbraw/zinc/01/33/58/602013358.db2.gz OLJTYDMCBSXXJX-PWSUYJOCSA-N -1 0 362.452 -0.061 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000738995647 602013294 /nfs/dbraw/zinc/01/32/94/602013294.db2.gz OLJTYDMCBSXXJX-ZYHUDNBSSA-N -1 0 362.452 -0.061 20 0 FBADRM C[C@H](NC(=O)[O-])C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000738996156 602689790 /nfs/dbraw/zinc/68/97/90/602689790.db2.gz XOYVGEAWJXHALP-JTQLQIEISA-N -1 0 371.419 -0.242 20 0 FBADRM C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000738996159 602689889 /nfs/dbraw/zinc/68/98/89/602689889.db2.gz XOYVGEAWJXHALP-SNVBAGLBSA-N -1 0 371.419 -0.242 20 0 FBADRM Cn1c2ncn(CCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)c2c(=O)n(C)c1=O ZINC000738996817 600643102 /nfs/dbraw/zinc/64/31/02/600643102.db2.gz BMSYXDZIFNENMZ-LLVKDONJSA-N -1 0 365.390 -0.561 20 0 FBADRM Cn1c2ncn(CCC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c2c(=O)n(C)c1=O ZINC000738996824 600643139 /nfs/dbraw/zinc/64/31/39/600643139.db2.gz BMSYXDZIFNENMZ-NSHDSACASA-N -1 0 365.390 -0.561 20 0 FBADRM Cn1c(=O)c2cc(C(=O)N[C@H]3CCCN(C(=O)[O-])C3)cnc2n(C)c1=O ZINC000738996834 605710679 /nfs/dbraw/zinc/71/06/79/605710679.db2.gz BRKZHGBOLCBCPJ-JTQLQIEISA-N -1 0 361.358 -0.496 20 0 FBADRM Cn1c(=O)c2cc(C(=O)N[C@@H]3CCCN(C(=O)[O-])C3)cnc2n(C)c1=O ZINC000738996835 603204036 /nfs/dbraw/zinc/20/40/36/603204036.db2.gz BRKZHGBOLCBCPJ-SNVBAGLBSA-N -1 0 361.358 -0.496 20 0 FBADRM Cn1c2[nH]c(CCC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)nc2c(=O)[nH]c1=O ZINC000738996854 600531291 /nfs/dbraw/zinc/53/12/91/600531291.db2.gz CFLINFRSKLPCFJ-JTQLQIEISA-N -1 0 351.363 -0.090 20 0 FBADRM Cn1c2[nH]c(CCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)nc2c(=O)[nH]c1=O ZINC000738996856 600552839 /nfs/dbraw/zinc/55/28/39/600552839.db2.gz CFLINFRSKLPCFJ-SNVBAGLBSA-N -1 0 351.363 -0.090 20 0 FBADRM Cn1c2ncn(CC(=O)Nc3cccc(C(=O)[O-])c3O)c2c(=O)n(C)c1=O ZINC000738996861 599946660 /nfs/dbraw/zinc/94/66/60/599946660.db2.gz CGZBQQURTVBHKZ-UHFFFAOYSA-N -1 0 373.325 -0.524 20 0 FBADRM Cn1c2ncn(CCC(=O)NC(C)(C)CC(=O)[O-])c2c(=O)n(C)c1=O ZINC000738996863 600775526 /nfs/dbraw/zinc/77/55/26/600775526.db2.gz CNWHZBIKHXLANG-UHFFFAOYSA-N -1 0 351.363 -0.807 20 0 FBADRM Cn1c2ncn(CC(=O)OCc3cc(C(=O)[O-])co3)c2c(=O)n(C)c1=O ZINC000738996878 599878745 /nfs/dbraw/zinc/87/87/45/599878745.db2.gz CYKONLYILDQAMF-UHFFFAOYSA-N -1 0 362.298 -0.532 20 0 FBADRM Cn1c(=O)c2cc(C(=O)NCCSCC(=O)[O-])cnc2n(C)c1=O ZINC000738996906 599891190 /nfs/dbraw/zinc/89/11/90/599891190.db2.gz DKDSMNRUVQVXAR-UHFFFAOYSA-N -1 0 352.372 -0.820 20 0 FBADRM Cn1c(=O)c2cc(C(=O)NCc3ccc(C(=O)[O-])o3)cnc2n(C)c1=O ZINC000738996909 600478854 /nfs/dbraw/zinc/47/88/54/600478854.db2.gz DODHUTLABNHNQB-UHFFFAOYSA-N -1 0 358.310 -0.147 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@](C)(C(=O)[O-])C3CC3)cnc21 ZINC000738996913 600239940 /nfs/dbraw/zinc/23/99/40/600239940.db2.gz DTBNXNGIHACTCF-AWEZNQCLSA-N -1 0 368.371 -0.434 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@@](C)(C(=O)[O-])C3CC3)cnc21 ZINC000738996919 600239996 /nfs/dbraw/zinc/23/99/96/600239996.db2.gz DTBNXNGIHACTCF-CQSZACIVSA-N -1 0 368.371 -0.434 20 0 FBADRM Cn1c(=O)c(Cn2cnc3c(cnn3CC(=O)[O-])c2=O)nc2ccccc21 ZINC000738996983 600031730 /nfs/dbraw/zinc/03/17/30/600031730.db2.gz FRSZPTSLGSXWKI-UHFFFAOYSA-N -1 0 366.337 -0.027 20 0 FBADRM Cn1c2[nH]c(CCC(=O)N[C@@H]3CCCN(C(=O)[O-])C3)nc2c(=O)[nH]c1=O ZINC000738997340 603190270 /nfs/dbraw/zinc/19/02/70/603190270.db2.gz FXUNHUOYTZFOKN-MRVPVSSYSA-N -1 0 364.362 -0.447 20 0 FBADRM Cn1c2[nH]c(CCC(=O)N[C@H]3CCCN(C(=O)[O-])C3)nc2c(=O)[nH]c1=O ZINC000738997344 605711008 /nfs/dbraw/zinc/71/10/08/605711008.db2.gz FXUNHUOYTZFOKN-QMMMGPOBSA-N -1 0 364.362 -0.447 20 0 FBADRM Cn1c2[nH]c(CCC(=O)NCc3ccc(C(=O)[O-])o3)nc2c(=O)[nH]c1=O ZINC000738997696 600495896 /nfs/dbraw/zinc/49/58/96/600495896.db2.gz HXSGWGANXZSIJV-UHFFFAOYSA-N -1 0 361.314 -0.098 20 0 FBADRM Cn1c2ncn(CCC(=O)N[C@](C)(C(=O)[O-])C3CC3)c2c(=O)n(C)c1=O ZINC000738997743 600610266 /nfs/dbraw/zinc/61/02/66/600610266.db2.gz IFMAMAIEDXSWEY-INIZCTEOSA-N -1 0 363.374 -0.807 20 0 FBADRM Cn1c2ncn(CCC(=O)N[C@@](C)(C(=O)[O-])C3CC3)c2c(=O)n(C)c1=O ZINC000738997749 600610242 /nfs/dbraw/zinc/61/02/42/600610242.db2.gz IFMAMAIEDXSWEY-MRXNPFEDSA-N -1 0 363.374 -0.807 20 0 FBADRM Cn1c2ncn(CCOC(=O)c3ccccc3C(=O)[O-])c2c(=O)n(C)c1=O ZINC000738997874 599828964 /nfs/dbraw/zinc/82/89/64/599828964.db2.gz JYUVBCNRLOLOGN-UHFFFAOYSA-N -1 0 372.337 -0.011 20 0 FBADRM Cn1c(=O)c2cc(C(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)cnc2n(C)c1=O ZINC000738997898 600271786 /nfs/dbraw/zinc/27/17/86/600271786.db2.gz KEPVUZAADVFGHY-GFCCVEGCSA-N -1 0 372.381 -0.041 20 0 FBADRM Cn1c(=O)c2cc(C(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)cnc2n(C)c1=O ZINC000738997902 600272071 /nfs/dbraw/zinc/27/20/71/600272071.db2.gz KEPVUZAADVFGHY-LBPRGKRZSA-N -1 0 372.381 -0.041 20 0 FBADRM C[C@@H](NC(=O)[O-])C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000738998000 603063762 /nfs/dbraw/zinc/06/37/62/603063762.db2.gz WBNWLAUOADKETH-SECBINFHSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@H](NC(=O)[O-])C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000738998002 603064040 /nfs/dbraw/zinc/06/40/40/603064040.db2.gz WBNWLAUOADKETH-VIFPVBQESA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000738998226 602269324 /nfs/dbraw/zinc/26/93/24/602269324.db2.gz FFQVNQOSZVQMFI-NXEZZACHSA-N -1 0 374.419 -0.717 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000738998227 602269165 /nfs/dbraw/zinc/26/91/65/602269165.db2.gz FFQVNQOSZVQMFI-UWVGGRQHSA-N -1 0 374.419 -0.717 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CCCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000738998229 602269331 /nfs/dbraw/zinc/26/93/31/602269331.db2.gz FFQVNQOSZVQMFI-VHSXEESVSA-N -1 0 374.419 -0.717 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000738998230 602269213 /nfs/dbraw/zinc/26/92/13/602269213.db2.gz FFQVNQOSZVQMFI-ZJUUUORDSA-N -1 0 374.419 -0.717 20 0 FBADRM C[C@H](NC(=O)[O-])C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000738998553 603241716 /nfs/dbraw/zinc/24/17/16/603241716.db2.gz WCPFWKGGLZRBRF-JTQLQIEISA-N -1 0 363.436 -0.268 20 0 FBADRM C[C@@H](NC(=O)[O-])C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000738998556 603241218 /nfs/dbraw/zinc/24/12/18/603241218.db2.gz WCPFWKGGLZRBRF-SNVBAGLBSA-N -1 0 363.436 -0.268 20 0 FBADRM Cn1c(C(=O)NCCSCC(=O)[O-])cc2c1n(C)c(=O)n(C)c2=O ZINC000738998621 599888689 /nfs/dbraw/zinc/88/86/89/599888689.db2.gz MCENHYZUHCUKBO-UHFFFAOYSA-N -1 0 354.388 -0.877 20 0 FBADRM Cn1c2ncn(CCOC(=O)CCCNC(=O)[O-])c2c(=O)n(C)c1=O ZINC000738998673 599798108 /nfs/dbraw/zinc/79/81/08/599798108.db2.gz NUUOZRLUVWDABQ-UHFFFAOYSA-N -1 0 353.335 -0.975 20 0 FBADRM Cn1c(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc2c1n(C)c(=O)n(C)c2=O ZINC000738998739 600641997 /nfs/dbraw/zinc/64/19/97/600641997.db2.gz OXUHPJOYZLKTID-JTQLQIEISA-N -1 0 350.375 -0.195 20 0 FBADRM Cn1c(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc2c1n(C)c(=O)n(C)c2=O ZINC000738998744 600642177 /nfs/dbraw/zinc/64/21/77/600642177.db2.gz OXUHPJOYZLKTID-SNVBAGLBSA-N -1 0 350.375 -0.195 20 0 FBADRM C[C@H](NC(=O)[O-])C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000738998805 604970728 /nfs/dbraw/zinc/97/07/28/604970728.db2.gz XGWSYZSEEMNOIS-JTQLQIEISA-N -1 0 359.404 -0.428 20 0 FBADRM C[C@@H](NC(=O)[O-])C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000738998813 603056750 /nfs/dbraw/zinc/05/67/50/603056750.db2.gz XGWSYZSEEMNOIS-SNVBAGLBSA-N -1 0 359.404 -0.428 20 0 FBADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000738999053 602409218 /nfs/dbraw/zinc/40/92/18/602409218.db2.gz NCTIQILZAJEYJY-JTQLQIEISA-N -1 0 362.452 -0.203 20 0 FBADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000738999069 602409233 /nfs/dbraw/zinc/40/92/33/602409233.db2.gz NCTIQILZAJEYJY-SNVBAGLBSA-N -1 0 362.452 -0.203 20 0 FBADRM Cn1c(C(=O)NCCSCCC(=O)[O-])cc2c1n(C)c(=O)n(C)c2=O ZINC000738999391 600260764 /nfs/dbraw/zinc/26/07/64/600260764.db2.gz QDSUQIUQZVMUJQ-UHFFFAOYSA-N -1 0 368.415 -0.487 20 0 FBADRM Cn1c2ncn(CC(=O)NCc3ccc(C(=O)[O-])o3)c2c(=O)n(C)c1=O ZINC000738999427 600478875 /nfs/dbraw/zinc/47/88/75/600478875.db2.gz QHZLCEZMUXWFBR-UHFFFAOYSA-N -1 0 361.314 -0.959 20 0 FBADRM Cn1c2nc(Cl)n(Cc3noc(CCC(=O)[O-])n3)c2c(=O)n(C)c1=O ZINC000738999517 600183863 /nfs/dbraw/zinc/18/38/63/600183863.db2.gz RQYLQQPSDPJRNK-UHFFFAOYSA-N -1 0 368.737 -0.464 20 0 FBADRM Cn1c2ncn(CC(=O)Oc3ccccc3CC(=O)[O-])c2c(=O)n(C)c1=O ZINC000738999518 600676310 /nfs/dbraw/zinc/67/63/10/600676310.db2.gz RTTLFMGJROBZCM-UHFFFAOYSA-N -1 0 372.337 -0.334 20 0 FBADRM Cn1c(=O)c2cc(C(=O)NCCSCCC(=O)[O-])cnc2n(C)c1=O ZINC000738999532 600254753 /nfs/dbraw/zinc/25/47/53/600254753.db2.gz SSUVKOPIFLRMHX-UHFFFAOYSA-N -1 0 366.399 -0.430 20 0 FBADRM Cn1c2ncn(CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c2c(=O)n(C)c1=O ZINC000738999537 600644599 /nfs/dbraw/zinc/64/45/99/600644599.db2.gz SYRZXFOIERFFIZ-JTQLQIEISA-N -1 0 351.363 -0.951 20 0 FBADRM Cn1c2ncn(CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)c2c(=O)n(C)c1=O ZINC000738999538 600644633 /nfs/dbraw/zinc/64/46/33/600644633.db2.gz SYRZXFOIERFFIZ-SNVBAGLBSA-N -1 0 351.363 -0.951 20 0 FBADRM Cn1c2ncn(CC(=O)Nc3cc(C(=O)[O-])ccn3)c2c(=O)n(C)c1=O ZINC000738999539 600430149 /nfs/dbraw/zinc/43/01/49/600430149.db2.gz TUJAPEZWPYTFFK-UHFFFAOYSA-N -1 0 358.314 -0.834 20 0 FBADRM Cn1c(C(=O)NCc2ccc(C(=O)[O-])o2)cc2c1n(C)c(=O)n(C)c2=O ZINC000738999560 600495683 /nfs/dbraw/zinc/49/56/83/600495683.db2.gz VGQNKLBFGSXCIX-UHFFFAOYSA-N -1 0 360.326 -0.203 20 0 FBADRM Cn1c(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000738999582 600263965 /nfs/dbraw/zinc/26/39/65/600263965.db2.gz VYLYUKMZAIOKIZ-LLVKDONJSA-N -1 0 374.397 -0.097 20 0 FBADRM Cn1c(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000738999583 600263755 /nfs/dbraw/zinc/26/37/55/600263755.db2.gz VYLYUKMZAIOKIZ-NSHDSACASA-N -1 0 374.397 -0.097 20 0 FBADRM Cn1c2ncn(CCOC(=O)C(C)(C)NC(=O)[O-])c2c(=O)n(C)c1=O ZINC000739000147 600162483 /nfs/dbraw/zinc/16/24/83/600162483.db2.gz WRJPCVJGUPLZAV-UHFFFAOYSA-N -1 0 353.335 -0.977 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCCSCCC(=O)[O-])cnc21 ZINC000739000149 600260825 /nfs/dbraw/zinc/26/08/25/600260825.db2.gz WTWLXNRGDGZVHP-UHFFFAOYSA-N -1 0 352.372 -0.028 20 0 FBADRM Cn1c(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000739000218 603187497 /nfs/dbraw/zinc/18/74/97/603187497.db2.gz XLOISGOLBMSBDT-SECBINFHSA-N -1 0 363.374 -0.552 20 0 FBADRM Cn1c(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000739000221 605708764 /nfs/dbraw/zinc/70/87/64/605708764.db2.gz XLOISGOLBMSBDT-VIFPVBQESA-N -1 0 363.374 -0.552 20 0 FBADRM Cn1c2ncn(CCOC(=O)CCSCC(=O)[O-])c2c(=O)n(C)c1=O ZINC000739000286 599797969 /nfs/dbraw/zinc/79/79/69/599797969.db2.gz XVKVVJDRIITBSH-UHFFFAOYSA-N -1 0 370.387 -0.815 20 0 FBADRM Cn1c2ncn(CC(=O)Oc3cccc(CC(=O)[O-])c3)c2c(=O)n(C)c1=O ZINC000739000396 600026607 /nfs/dbraw/zinc/02/66/07/600026607.db2.gz ZWIHACXNIXXPCC-UHFFFAOYSA-N -1 0 372.337 -0.334 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000739001430 602012314 /nfs/dbraw/zinc/01/23/14/602012314.db2.gz KGCDLHFZXCHTKY-CMPLNLGQSA-N -1 0 373.435 -0.264 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000739001441 602012441 /nfs/dbraw/zinc/01/24/41/602012441.db2.gz KGCDLHFZXCHTKY-JQWIXIFHSA-N -1 0 373.435 -0.264 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000739001446 602012356 /nfs/dbraw/zinc/01/23/56/602012356.db2.gz KGCDLHFZXCHTKY-PWSUYJOCSA-N -1 0 373.435 -0.264 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000739001455 602012300 /nfs/dbraw/zinc/01/23/00/602012300.db2.gz KGCDLHFZXCHTKY-ZYHUDNBSSA-N -1 0 373.435 -0.264 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)Nc3ccn(CC(=O)[O-])n3)nc2n(C)c1=O ZINC000739001989 599736375 /nfs/dbraw/zinc/73/63/75/599736375.db2.gz BQOGPYUFHUEBGK-UHFFFAOYSA-N -1 0 358.314 -0.834 20 0 FBADRM Cn1c(=O)ccn(CC(=O)OCc2cn3cccc(C(=O)[O-])c3n2)c1=O ZINC000739002011 599987999 /nfs/dbraw/zinc/98/79/99/599987999.db2.gz BWZRTRWWJPIOTB-UHFFFAOYSA-N -1 0 358.310 -0.364 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)nc2n(C)c1=O ZINC000739002034 600276329 /nfs/dbraw/zinc/27/63/29/600276329.db2.gz CFZRMPHSVNAXOZ-LLVKDONJSA-N -1 0 372.381 -0.041 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)nc2n(C)c1=O ZINC000739002037 600276221 /nfs/dbraw/zinc/27/62/21/600276221.db2.gz CFZRMPHSVNAXOZ-NSHDSACASA-N -1 0 372.381 -0.041 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)CCSCC(=O)[O-])cnc2n(C)c1=O ZINC000739002088 599742935 /nfs/dbraw/zinc/74/29/35/599742935.db2.gz CVTWHPCXNTWPCI-UHFFFAOYSA-N -1 0 352.372 -0.221 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccccn3)nc2n(C)c1=O ZINC000739002132 601121292 /nfs/dbraw/zinc/12/12/92/601121292.db2.gz FNGQKYDVTVMNJO-GFCCVEGCSA-N -1 0 369.337 -0.417 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N[C@H](C(=O)[O-])c3ccccn3)nc2n(C)c1=O ZINC000739002159 601121187 /nfs/dbraw/zinc/12/11/87/601121187.db2.gz FNGQKYDVTVMNJO-LBPRGKRZSA-N -1 0 369.337 -0.417 20 0 FBADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000739002950 602405747 /nfs/dbraw/zinc/40/57/47/602405747.db2.gz XBGKFCLZPGJJOE-DOGVGXBMSA-N -1 0 364.402 -0.008 20 0 FBADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000739002951 602405799 /nfs/dbraw/zinc/40/57/99/602405799.db2.gz XBGKFCLZPGJJOE-SGUJLRQBSA-N -1 0 364.402 -0.008 20 0 FBADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000739002952 602405913 /nfs/dbraw/zinc/40/59/13/602405913.db2.gz XBGKFCLZPGJJOE-WYGGZMRJSA-N -1 0 364.402 -0.008 20 0 FBADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000739002953 602405833 /nfs/dbraw/zinc/40/58/33/602405833.db2.gz XBGKFCLZPGJJOE-ZWNMCFTASA-N -1 0 364.402 -0.008 20 0 FBADRM Cn1c2ccc(NC(=O)C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2n(C)c1=O ZINC000739003326 600053485 /nfs/dbraw/zinc/05/34/85/600053485.db2.gz IQJIVQHYOJYMRT-GFCCVEGCSA-N -1 0 362.342 -0.873 20 0 FBADRM Cn1c2ccc(NC(=O)C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2n(C)c1=O ZINC000739003331 600053364 /nfs/dbraw/zinc/05/33/64/600053364.db2.gz IQJIVQHYOJYMRT-LBPRGKRZSA-N -1 0 362.342 -0.873 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N[C@@H]3CCCN(C(=O)[O-])C3)nc2n(C)c1=O ZINC000739003374 603207438 /nfs/dbraw/zinc/20/74/38/603207438.db2.gz JLDMLCDRLVRIFW-SECBINFHSA-N -1 0 361.358 -0.496 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N[C@H]3CCCN(C(=O)[O-])C3)nc2n(C)c1=O ZINC000739003379 605708898 /nfs/dbraw/zinc/70/88/98/605708898.db2.gz JLDMLCDRLVRIFW-VIFPVBQESA-N -1 0 361.358 -0.496 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)Nc3cnn(CC(=O)[O-])c3)nc2n(C)c1=O ZINC000739003412 600524431 /nfs/dbraw/zinc/52/44/31/600524431.db2.gz JSFCWDTVHDZSKH-UHFFFAOYSA-N -1 0 358.314 -0.834 20 0 FBADRM Cn1c2c(nc(Br)n2C[C@H](O)CC(=O)[O-])c(=O)n(C)c1=O ZINC000739003517 600121386 /nfs/dbraw/zinc/12/13/86/600121386.db2.gz KJVIGJJMRDYUEU-RXMQYKEDSA-N -1 0 361.152 -0.968 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)N3CCC(C(=O)[O-])CC3)cnc2n(C)c1=O ZINC000739003557 600556770 /nfs/dbraw/zinc/55/67/70/600556770.db2.gz KQNCNAQRQCXYLL-UHFFFAOYSA-N -1 0 361.358 -0.039 20 0 FBADRM Cn1c(=O)ccn(CC(=O)OCc2noc(CCCC(=O)[O-])n2)c1=O ZINC000739004850 600188765 /nfs/dbraw/zinc/18/87/65/600188765.db2.gz MQEZZSLVIDGCEE-UHFFFAOYSA-N -1 0 352.303 -0.919 20 0 FBADRM Cn1c(=O)c2cc(C(=O)Nc3cnn(CC(=O)[O-])c3)cnc2n(C)c1=O ZINC000739004862 600526045 /nfs/dbraw/zinc/52/60/45/600526045.db2.gz NBSFXPGOGZEVOQ-UHFFFAOYSA-N -1 0 358.314 -0.834 20 0 FBADRM Cn1c(=O)ccn(CC(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)c1=O ZINC000739004877 601037577 /nfs/dbraw/zinc/03/75/77/601037577.db2.gz NHOHJJKANZSEQM-UHFFFAOYSA-N -1 0 350.356 -0.103 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NCCSCCC(=O)[O-])nc2n(C)c1=O ZINC000739004883 600254701 /nfs/dbraw/zinc/25/47/01/600254701.db2.gz NKNHWZIBWSOQRZ-UHFFFAOYSA-N -1 0 366.399 -0.430 20 0 FBADRM Cn1c(C(=O)Nc2cc(C(=O)[O-])ccn2)cc2c1n(C)c(=O)n(C)c2=O ZINC000739004965 600424816 /nfs/dbraw/zinc/42/48/16/600424816.db2.gz OSNJRXDUYOLEMO-UHFFFAOYSA-N -1 0 357.326 -0.079 20 0 FBADRM Cn1c(=O)ccn(CC(=O)Nc2nnc(CCCC(=O)[O-])s2)c1=O ZINC000739004990 837823226 /nfs/dbraw/zinc/82/32/26/837823226.db2.gz OZZZZMVOERRWNM-UHFFFAOYSA-N -1 0 353.360 -0.556 20 0 FBADRM Cn1c(=O)c2cc(C(=O)Nc3ccn(CC(=O)[O-])n3)cnc2n(C)c1=O ZINC000739005050 599736414 /nfs/dbraw/zinc/73/64/14/599736414.db2.gz PSXZENRZKYCALY-UHFFFAOYSA-N -1 0 358.314 -0.834 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NCc3ccc(C(=O)[O-])o3)nc2n(C)c1=O ZINC000739005112 600478402 /nfs/dbraw/zinc/47/84/02/600478402.db2.gz QJDJNPGEBCIVCD-UHFFFAOYSA-N -1 0 358.310 -0.147 20 0 FBADRM Cn1c2nnc(CN3CCNC(=O)[C@H]3CC(=O)[O-])n2c2ccccc2c1=O ZINC000739005119 599984742 /nfs/dbraw/zinc/98/47/42/599984742.db2.gz QXXHEDSNNOSURR-GFCCVEGCSA-N -1 0 370.369 -0.644 20 0 FBADRM Cn1c2nnc(CN3CCNC(=O)[C@@H]3CC(=O)[O-])n2c2ccccc2c1=O ZINC000739005128 599984681 /nfs/dbraw/zinc/98/46/81/599984681.db2.gz QXXHEDSNNOSURR-LBPRGKRZSA-N -1 0 370.369 -0.644 20 0 FBADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC000739005890 602460429 /nfs/dbraw/zinc/46/04/29/602460429.db2.gz NHNYOYKKMZPEFH-SECBINFHSA-N -1 0 359.408 -0.575 20 0 FBADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC000739005891 602460313 /nfs/dbraw/zinc/46/03/13/602460313.db2.gz NHNYOYKKMZPEFH-VIFPVBQESA-N -1 0 359.408 -0.575 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)Nc3cc(C(=O)[O-])ccn3)nc2n(C)c1=O ZINC000739006258 600432160 /nfs/dbraw/zinc/43/21/60/600432160.db2.gz RBFQNETVKWLJKH-UHFFFAOYSA-N -1 0 355.310 -0.022 20 0 FBADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC1 ZINC000739006726 602476110 /nfs/dbraw/zinc/47/61/10/602476110.db2.gz ZFEOPAHZQCRUQI-SECBINFHSA-N -1 0 366.378 -0.798 20 0 FBADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC1 ZINC000739006731 602476112 /nfs/dbraw/zinc/47/61/12/602476112.db2.gz ZFEOPAHZQCRUQI-VIFPVBQESA-N -1 0 366.378 -0.798 20 0 FBADRM Cn1c(=O)ccn(CC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)c1=O ZINC000739006746 599976422 /nfs/dbraw/zinc/97/64/22/599976422.db2.gz VSTVHFSPNJQSRU-CYBMUJFWSA-N -1 0 353.281 -0.233 20 0 FBADRM Cn1c(=O)ccn(CC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)c1=O ZINC000739006759 599976360 /nfs/dbraw/zinc/97/63/60/599976360.db2.gz VSTVHFSPNJQSRU-ZDUSSCGKSA-N -1 0 353.281 -0.233 20 0 FBADRM Cn1c(=O)ccn(CC(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])c1=O ZINC000739006823 600586679 /nfs/dbraw/zinc/58/66/79/600586679.db2.gz WLERJCSERLVYSL-GFCCVEGCSA-N -1 0 361.354 -0.688 20 0 FBADRM Cn1c(=O)ccn(CC(=O)NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])c1=O ZINC000739006827 600586880 /nfs/dbraw/zinc/58/68/80/600586880.db2.gz WLERJCSERLVYSL-LBPRGKRZSA-N -1 0 361.354 -0.688 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NCCSCC(=O)[O-])nc2n(C)c1=O ZINC000739006877 599890458 /nfs/dbraw/zinc/89/04/58/599890458.db2.gz XQFKVEJNZVUKEU-UHFFFAOYSA-N -1 0 352.372 -0.820 20 0 FBADRM Cn1c(=O)c2cc(C(=O)Nc3cc(C(=O)[O-])ccn3)cnc2n(C)c1=O ZINC000739007443 600431446 /nfs/dbraw/zinc/43/14/46/600431446.db2.gz YHTUDTYXWFNZLW-UHFFFAOYSA-N -1 0 355.310 -0.022 20 0 FBADRM Cn1c2ccc(NC(=O)C(=O)NCCSCC(=O)[O-])cc2n(C)c1=O ZINC000739007450 599910251 /nfs/dbraw/zinc/91/02/51/599910251.db2.gz YQBHRDMDFLKLEW-UHFFFAOYSA-N -1 0 366.399 -0.251 20 0 FBADRM Cn1c2nnc(Cn3nc(C(=O)[O-])ccc3=O)n2c2ccccc2c1=O ZINC000739007453 600518172 /nfs/dbraw/zinc/51/81/72/600518172.db2.gz YVLRIQJNQZFPHD-UHFFFAOYSA-N -1 0 352.310 -0.116 20 0 FBADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000739010247 602756557 /nfs/dbraw/zinc/75/65/57/602756557.db2.gz XVIFHQGZHRADRM-JTQLQIEISA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000739010250 602756650 /nfs/dbraw/zinc/75/66/50/602756650.db2.gz XVIFHQGZHRADRM-SNVBAGLBSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC000739013392 602757075 /nfs/dbraw/zinc/75/70/75/602757075.db2.gz AHJHNDYRUDWRNP-JTQLQIEISA-N -1 0 352.395 -0.125 20 0 FBADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC000739013393 602756991 /nfs/dbraw/zinc/75/69/91/602756991.db2.gz AHJHNDYRUDWRNP-SNVBAGLBSA-N -1 0 352.395 -0.125 20 0 FBADRM Cn1c(N)c(C(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000739013540 600289989 /nfs/dbraw/zinc/28/99/89/600289989.db2.gz DLKJXKWUABADGP-SECBINFHSA-N -1 0 350.375 -0.964 20 0 FBADRM Cn1c(N)c(C(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000739013541 600289906 /nfs/dbraw/zinc/28/99/06/600289906.db2.gz DLKJXKWUABADGP-VIFPVBQESA-N -1 0 350.375 -0.964 20 0 FBADRM Cn1c(N)c(C(=O)CN2Cc3ccc(C(=O)[O-])cc3C2)c(=O)n(C)c1=O ZINC000739013825 600084512 /nfs/dbraw/zinc/08/45/12/600084512.db2.gz HIXMEUUYFSIQKY-UHFFFAOYSA-N -1 0 358.354 -0.437 20 0 FBADRM Cn1c(N)c(C(=O)CN2C[C@H](CC(=O)[O-])c3ccccc32)c(=O)n(C)c1=O ZINC000739013909 600965108 /nfs/dbraw/zinc/96/51/08/600965108.db2.gz JBFUIRZHISOKCG-JTQLQIEISA-N -1 0 372.381 -0.073 20 0 FBADRM C[C@@H](NC(=O)[O-])C1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000739013910 602447427 /nfs/dbraw/zinc/44/74/27/602447427.db2.gz HERCQHYDHAGAMG-SECBINFHSA-N -1 0 364.406 -0.172 20 0 FBADRM Cn1c(N)c(C(=O)CN2C[C@@H](CC(=O)[O-])c3ccccc32)c(=O)n(C)c1=O ZINC000739013911 600965147 /nfs/dbraw/zinc/96/51/47/600965147.db2.gz JBFUIRZHISOKCG-SNVBAGLBSA-N -1 0 372.381 -0.073 20 0 FBADRM C[C@H](NC(=O)[O-])C1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000739013912 602447199 /nfs/dbraw/zinc/44/71/99/602447199.db2.gz HERCQHYDHAGAMG-VIFPVBQESA-N -1 0 364.406 -0.172 20 0 FBADRM Cn1c(N)c(C(=O)COC(=O)c2ccccc2C(=O)[O-])c(=O)n(C)c1=O ZINC000739014333 599830012 /nfs/dbraw/zinc/83/00/12/599830012.db2.gz OBKNAXZJZQKZRA-UHFFFAOYSA-N -1 0 361.310 -0.596 20 0 FBADRM Cn1c(=O)cc(CN(c2ccc(C(=O)[O-])cc2)S(C)(=O)=O)n(C)c1=O ZINC000739014927 599990639 /nfs/dbraw/zinc/99/06/39/599990639.db2.gz YUNVHVWJIKJWKJ-UHFFFAOYSA-N -1 0 367.383 -0.252 20 0 FBADRM C[C@@H](NC(=O)[O-])C1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000739015769 602454093 /nfs/dbraw/zinc/45/40/93/602454093.db2.gz CEFABJPOMCQCMV-SECBINFHSA-N -1 0 374.419 -0.859 20 0 FBADRM C[C@H](NC(=O)[O-])C1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000739015770 602454167 /nfs/dbraw/zinc/45/41/67/602454167.db2.gz CEFABJPOMCQCMV-VIFPVBQESA-N -1 0 374.419 -0.859 20 0 FBADRM C[C@@H](NC(=O)[O-])C1CCN(C(=S)NCCNS(C)(=O)=O)CC1 ZINC000739016247 602725688 /nfs/dbraw/zinc/72/56/88/602725688.db2.gz OOPCXNZTHXHSFG-SECBINFHSA-N -1 0 352.482 -0.222 20 0 FBADRM C[C@H](NC(=O)[O-])C1CCN(C(=S)NCCNS(C)(=O)=O)CC1 ZINC000739016250 602725643 /nfs/dbraw/zinc/72/56/43/602725643.db2.gz OOPCXNZTHXHSFG-VIFPVBQESA-N -1 0 352.482 -0.222 20 0 FBADRM Cn1cc(C(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)c(=O)n(C)c1=O ZINC000739023145 600250108 /nfs/dbraw/zinc/25/01/08/600250108.db2.gz OQOBNNVLANUPAT-UHFFFAOYSA-N -1 0 374.353 -0.920 20 0 FBADRM Cn1cc(C(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)c(=O)n(C)c1=O ZINC000739023223 600249299 /nfs/dbraw/zinc/24/92/99/600249299.db2.gz SIGYJDOWXZAZMM-UHFFFAOYSA-N -1 0 374.353 -0.459 20 0 FBADRM Cn1cc(C(=O)Nc2nnc(CCCC(=O)[O-])s2)c(=O)n(C)c1=O ZINC000739025187 837822869 /nfs/dbraw/zinc/82/28/69/837822869.db2.gz BKQJFKGTBJXFQF-UHFFFAOYSA-N -1 0 353.360 -0.405 20 0 FBADRM Cn1cc(C(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])c(=O)n(C)c1=O ZINC000739025649 600257435 /nfs/dbraw/zinc/25/74/35/600257435.db2.gz INMZEUMKERKGBS-LLVKDONJSA-N -1 0 361.354 -0.537 20 0 FBADRM Cn1cc(C(=O)NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])c(=O)n(C)c1=O ZINC000739025652 600257524 /nfs/dbraw/zinc/25/75/24/600257524.db2.gz INMZEUMKERKGBS-NSHDSACASA-N -1 0 361.354 -0.537 20 0 FBADRM Cn1cc(C(=O)C(=O)Nc2cccc(S(=O)(=O)NCC(=O)[O-])c2)cn1 ZINC000739025840 599928458 /nfs/dbraw/zinc/92/84/58/599928458.db2.gz MCMZBEHYDZJJTB-UHFFFAOYSA-N -1 0 366.355 -0.396 20 0 FBADRM Cn1cc(/C=C\C(=O)Nc2nnc(CCC(=O)[O-])s2)c(=O)n(C)c1=O ZINC000739025886 600203920 /nfs/dbraw/zinc/20/39/20/600203920.db2.gz FMROVFXHKUYQAP-ARJAWSKDSA-N -1 0 365.371 -0.395 20 0 FBADRM Cn1cc(/C=C/C(=O)Nc2nnc(CCC(=O)[O-])s2)c(=O)n(C)c1=O ZINC000739025887 600204037 /nfs/dbraw/zinc/20/40/37/600204037.db2.gz FMROVFXHKUYQAP-ONEGZZNKSA-N -1 0 365.371 -0.395 20 0 FBADRM Cn1cc(/C=C\C(=O)N2CCSC[C@@H]2CC(=O)[O-])c(=O)n(C)c1=O ZINC000739025947 600699116 /nfs/dbraw/zinc/69/91/16/600699116.db2.gz HLOBEZDHAULRAB-BYCRGOAPSA-N -1 0 353.400 -0.484 20 0 FBADRM Cn1cc(/C=C\C(=O)N2CCSC[C@H]2CC(=O)[O-])c(=O)n(C)c1=O ZINC000739025950 600698824 /nfs/dbraw/zinc/69/88/24/600698824.db2.gz HLOBEZDHAULRAB-DLRQAJBASA-N -1 0 353.400 -0.484 20 0 FBADRM Cn1cc(C(=O)OCC(=O)Nc2ccsc2C(=O)[O-])c(=O)n(C)c1=O ZINC000739026268 600267524 /nfs/dbraw/zinc/26/75/24/600267524.db2.gz IIPZMLFIAWTSGM-UHFFFAOYSA-N -1 0 367.339 -0.361 20 0 FBADRM Cn1cc(C(=O)OCC(=O)NC2(C(=O)[O-])CCCCC2)c(=O)n(C)c1=O ZINC000739026300 600267586 /nfs/dbraw/zinc/26/75/86/600267586.db2.gz IYRLZJUWGVERIA-UHFFFAOYSA-N -1 0 367.358 -0.856 20 0 FBADRM Cn1cc(/C=C\C(=O)NCc2cccc(OCC(=O)[O-])c2)c(=O)n(C)c1=O ZINC000739026809 600618645 /nfs/dbraw/zinc/61/86/45/600618645.db2.gz KBKNDEOJHPVELM-SREVYHEPSA-N -1 0 373.365 -0.123 20 0 FBADRM Cn1cc(/C=C/C(=O)NCc2cccc(OCC(=O)[O-])c2)c(=O)n(C)c1=O ZINC000739026810 600618643 /nfs/dbraw/zinc/61/86/43/600618643.db2.gz KBKNDEOJHPVELM-VOTSOKGWSA-N -1 0 373.365 -0.123 20 0 FBADRM Cn1cc(C=CC(=O)OCC(=O)c2cc(C(=O)[O-])co2)c(=O)n(C)c1=O ZINC000739026900 600140011 /nfs/dbraw/zinc/14/00/11/600140011.db2.gz NHGAJPQRCJGFBE-ARJAWSKDSA-N -1 0 362.294 -0.186 20 0 FBADRM Cn1cc(C=CC(=O)OCC(=O)c2cc(C(=O)[O-])co2)c(=O)n(C)c1=O ZINC000739026901 600140018 /nfs/dbraw/zinc/14/00/18/600140018.db2.gz NHGAJPQRCJGFBE-ONEGZZNKSA-N -1 0 362.294 -0.186 20 0 FBADRM Cn1cc(/C=C\C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)c(=O)n(C)c1=O ZINC000739026904 600499975 /nfs/dbraw/zinc/49/99/75/600499975.db2.gz NJWHRSHEZGKCPH-CFHLNLSMSA-N -1 0 365.386 -0.421 20 0 FBADRM Cn1cc(/C=C/C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)c(=O)n(C)c1=O ZINC000739026905 600500026 /nfs/dbraw/zinc/50/00/26/600500026.db2.gz NJWHRSHEZGKCPH-GFUIURDCSA-N -1 0 365.386 -0.421 20 0 FBADRM Cn1cc(/C=C\C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)c(=O)n(C)c1=O ZINC000739026906 600500258 /nfs/dbraw/zinc/50/02/58/600500258.db2.gz NJWHRSHEZGKCPH-SZZPACECSA-N -1 0 365.386 -0.421 20 0 FBADRM Cn1cc(/C=C/C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)c(=O)n(C)c1=O ZINC000739026907 600500116 /nfs/dbraw/zinc/50/01/16/600500116.db2.gz NJWHRSHEZGKCPH-URWSZGRFSA-N -1 0 365.386 -0.421 20 0 FBADRM Cn1cc(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)c(=O)n(C)c1=O ZINC000739027657 600250806 /nfs/dbraw/zinc/25/08/06/600250806.db2.gz VFUZMVFVITZDJL-LLVKDONJSA-N -1 0 353.281 -0.082 20 0 FBADRM Cn1cc(C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)c(=O)n(C)c1=O ZINC000739027661 600250953 /nfs/dbraw/zinc/25/09/53/600250953.db2.gz VFUZMVFVITZDJL-NSHDSACASA-N -1 0 353.281 -0.082 20 0 FBADRM Cn1cc(C(=O)OCc2cn3cccc(C(=O)[O-])c3n2)c(=O)n(C)c1=O ZINC000739027743 600267752 /nfs/dbraw/zinc/26/77/52/600267752.db2.gz QKLRBLAKZVFNAA-UHFFFAOYSA-N -1 0 358.310 -0.213 20 0 FBADRM Cn1cc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])c(=O)n(C)c1=O ZINC000739027961 600257447 /nfs/dbraw/zinc/25/74/47/600257447.db2.gz ZUHIGPHKCCAYSB-LLVKDONJSA-N -1 0 363.345 -0.104 20 0 FBADRM Cn1cc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])c(=O)n(C)c1=O ZINC000739027963 600257458 /nfs/dbraw/zinc/25/74/58/600257458.db2.gz ZUHIGPHKCCAYSB-NSHDSACASA-N -1 0 363.345 -0.104 20 0 FBADRM Cn1cc(C(=O)OCc2noc(CCCC(=O)[O-])n2)c(=O)n(C)c1=O ZINC000739028409 600267676 /nfs/dbraw/zinc/26/76/76/600267676.db2.gz UQCSQGIGDLMOND-UHFFFAOYSA-N -1 0 352.303 -0.769 20 0 FBADRM Cn1cc(C(=O)OCC(=O)Nc2cccc(C(=O)[O-])c2)c(=O)n(C)c1=O ZINC000739028493 600267737 /nfs/dbraw/zinc/26/77/37/600267737.db2.gz XIYJBFWWSTZVBY-UHFFFAOYSA-N -1 0 361.310 -0.422 20 0 FBADRM Cn1cc(/C=C/C(=O)NCCOc2ccc(C(=O)[O-])cc2)c(=O)n(C)c1=O ZINC000739028712 599921122 /nfs/dbraw/zinc/92/11/22/599921122.db2.gz YUAYKZWBWDSCMV-VMPITWQZSA-N -1 0 373.365 -0.009 20 0 FBADRM Cn1cc(/C=C\C(=O)NCCOc2ccc(C(=O)[O-])cc2)c(=O)n(C)c1=O ZINC000739028715 599920900 /nfs/dbraw/zinc/92/09/00/599920900.db2.gz YUAYKZWBWDSCMV-YVMONPNESA-N -1 0 373.365 -0.009 20 0 FBADRM C[C@@H](NC(=S)NCCNS(C)(=O)=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739029977 602322629 /nfs/dbraw/zinc/32/26/29/602322629.db2.gz ICVKKGNBHVEBOK-NXEZZACHSA-N -1 0 352.482 -0.222 20 0 FBADRM C[C@H](NC(=S)NCCNS(C)(=O)=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739029978 602322494 /nfs/dbraw/zinc/32/24/94/602322494.db2.gz ICVKKGNBHVEBOK-UWVGGRQHSA-N -1 0 352.482 -0.222 20 0 FBADRM C[C@H](NC(=S)NCCNS(C)(=O)=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739029979 602322686 /nfs/dbraw/zinc/32/26/86/602322686.db2.gz ICVKKGNBHVEBOK-VHSXEESVSA-N -1 0 352.482 -0.222 20 0 FBADRM C[C@@H](NC(=S)NCCNS(C)(=O)=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739029980 602322658 /nfs/dbraw/zinc/32/26/58/602322658.db2.gz ICVKKGNBHVEBOK-ZJUUUORDSA-N -1 0 352.482 -0.222 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)N[C@H]3CCCN(C(=O)[O-])C3)C2=O)cn1 ZINC000739032932 605653542 /nfs/dbraw/zinc/65/35/42/605653542.db2.gz AXPMHHODTZAAKL-CMPLNLGQSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)N[C@H]3CCCN(C(=O)[O-])C3)C2=O)cn1 ZINC000739032934 605653175 /nfs/dbraw/zinc/65/31/75/605653175.db2.gz AXPMHHODTZAAKL-JQWIXIFHSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)N[C@@H]3CCCN(C(=O)[O-])C3)C2=O)cn1 ZINC000739032937 603025817 /nfs/dbraw/zinc/02/58/17/603025817.db2.gz AXPMHHODTZAAKL-PWSUYJOCSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)N[C@@H]3CCCN(C(=O)[O-])C3)C2=O)cn1 ZINC000739032939 603025826 /nfs/dbraw/zinc/02/58/26/603025826.db2.gz AXPMHHODTZAAKL-ZYHUDNBSSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)C(=O)Nc3cccc(C(=O)[O-])c3)C2=O)cn1 ZINC000739033470 600472417 /nfs/dbraw/zinc/47/24/17/600472417.db2.gz HBWZXCAKNOEPNV-CYBMUJFWSA-N -1 0 371.353 -0.022 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)C(=O)Nc3cccc(C(=O)[O-])c3)C2=O)cn1 ZINC000739033471 600472525 /nfs/dbraw/zinc/47/25/25/600472525.db2.gz HBWZXCAKNOEPNV-ZDUSSCGKSA-N -1 0 371.353 -0.022 20 0 FBADRM Cn1cc(N2CC[C@@H](NS(=O)(=O)c3ccc(C(=O)[O-])o3)C2=O)cn1 ZINC000739035704 600415993 /nfs/dbraw/zinc/41/59/93/600415993.db2.gz YNUIMWUNACEHEH-SECBINFHSA-N -1 0 354.344 -0.205 20 0 FBADRM Cn1cc(N2CC[C@H](NS(=O)(=O)c3ccc(C(=O)[O-])o3)C2=O)cn1 ZINC000739035707 600416126 /nfs/dbraw/zinc/41/61/26/600416126.db2.gz YNUIMWUNACEHEH-VIFPVBQESA-N -1 0 354.344 -0.205 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)Nc2nnc(CCC(=O)[O-])s2)cn1 ZINC000739036071 600204857 /nfs/dbraw/zinc/20/48/57/600204857.db2.gz CEPYZYZBGPNBIR-UHFFFAOYSA-N -1 0 374.404 -0.794 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)Nc2cccc(C(=O)[O-])c2O)cn1 ZINC000739036089 599950065 /nfs/dbraw/zinc/95/00/65/599950065.db2.gz DLWMCZIGNBKEQE-UHFFFAOYSA-N -1 0 354.344 -0.259 20 0 FBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)OCc1noc(CCCC(=O)[O-])n1 ZINC000739036091 600185336 /nfs/dbraw/zinc/18/53/36/600185336.db2.gz DNFLBCCYSPGAHK-UHFFFAOYSA-N -1 0 372.359 -0.180 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cn1 ZINC000739036095 600279383 /nfs/dbraw/zinc/27/93/83/600279383.db2.gz DYMNILLVZCJQLV-GFCCVEGCSA-N -1 0 364.383 -0.087 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cn1 ZINC000739036096 600279632 /nfs/dbraw/zinc/27/96/32/600279632.db2.gz DYMNILLVZCJQLV-LBPRGKRZSA-N -1 0 364.383 -0.087 20 0 FBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)OCc1noc(CCC(=O)[O-])n1 ZINC000739036168 600185547 /nfs/dbraw/zinc/18/55/47/600185547.db2.gz IRWNULASDWIZKL-UHFFFAOYSA-N -1 0 358.332 -0.570 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)NCCSCCC(=O)[O-])cn1 ZINC000739036614 600261732 /nfs/dbraw/zinc/26/17/32/600261732.db2.gz JMUROCQNFIDPEL-UHFFFAOYSA-N -1 0 350.422 -0.978 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N2CCSC[C@H]2CC(=O)[O-])cn1 ZINC000739036645 600699816 /nfs/dbraw/zinc/69/98/16/600699816.db2.gz KIMBJEQICCMBQW-SECBINFHSA-N -1 0 362.433 -0.883 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N2CCSC[C@@H]2CC(=O)[O-])cn1 ZINC000739036655 600699904 /nfs/dbraw/zinc/69/99/04/600699904.db2.gz KIMBJEQICCMBQW-VIFPVBQESA-N -1 0 362.433 -0.883 20 0 FBADRM Cn1cc(S(=O)(=O)Oc2cccc(CC(=O)[O-])c2)c(=O)n(C)c1=O ZINC000739036705 600016403 /nfs/dbraw/zinc/01/64/03/600016403.db2.gz LNHGTHKNYFHXSS-UHFFFAOYSA-N -1 0 354.340 -0.521 20 0 FBADRM Cn1cc(S(=O)(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)cc1C(N)=O ZINC000739036726 600522409 /nfs/dbraw/zinc/52/24/09/600522409.db2.gz MAGSCOWUYIZNTE-JTQLQIEISA-N -1 0 359.404 -0.232 20 0 FBADRM Cn1cc(S(=O)(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)cc1C(N)=O ZINC000739036729 600522218 /nfs/dbraw/zinc/52/22/18/600522218.db2.gz MAGSCOWUYIZNTE-SNVBAGLBSA-N -1 0 359.404 -0.232 20 0 FBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)Nc1nnc(CCC(=O)[O-])s1 ZINC000739036814 600268964 /nfs/dbraw/zinc/26/89/64/600268964.db2.gz NWAQJLADEYHILC-UHFFFAOYSA-N -1 0 359.389 -0.207 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)C(C)(C)NC(=O)[O-])CC2)cn1 ZINC000739036820 603064053 /nfs/dbraw/zinc/06/40/53/603064053.db2.gz NWPSGJQHLDYYQN-UHFFFAOYSA-N -1 0 373.435 -0.264 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)c2cc(C(=O)[O-])co2)cn1 ZINC000739036880 600140888 /nfs/dbraw/zinc/14/08/88/600140888.db2.gz PGFRRZYDQDJZFM-UHFFFAOYSA-N -1 0 371.327 -0.584 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cn1 ZINC000739037371 600072535 /nfs/dbraw/zinc/07/25/35/600072535.db2.gz RLNCCJDRWHWIIZ-UHFFFAOYSA-N -1 0 364.383 -0.061 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCCNC(=O)[O-] ZINC000739037424 602219313 /nfs/dbraw/zinc/21/93/13/602219313.db2.gz SCLQCPWWGRRPQF-UHFFFAOYSA-N -1 0 361.376 -0.530 20 0 FBADRM Cn1cc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2C=O)c(=O)n(C)c1=O ZINC000739037479 599941631 /nfs/dbraw/zinc/94/16/31/599941631.db2.gz SQKMEALNFNEFDU-UHFFFAOYSA-N -1 0 368.323 -0.638 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)cn1 ZINC000739037569 600501465 /nfs/dbraw/zinc/50/14/65/600501465.db2.gz VERIJPAXQUFNPD-LLVKDONJSA-N -1 0 374.419 -0.819 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)cn1 ZINC000739037570 600501490 /nfs/dbraw/zinc/50/14/90/600501490.db2.gz VERIJPAXQUFNPD-NSHDSACASA-N -1 0 374.419 -0.819 20 0 FBADRM Cn1cc(S(=O)(=O)Oc2ccccc2CC(=O)[O-])c(=O)n(C)c1=O ZINC000739037581 600586218 /nfs/dbraw/zinc/58/62/18/600586218.db2.gz VLLPVZKCUIFMCO-UHFFFAOYSA-N -1 0 354.340 -0.521 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cn1 ZINC000739037942 600275797 /nfs/dbraw/zinc/27/57/97/600275797.db2.gz VUTIHEADOVDPJP-LLVKDONJSA-N -1 0 356.404 -0.588 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cn1 ZINC000739037944 600275719 /nfs/dbraw/zinc/27/57/19/600275719.db2.gz VUTIHEADOVDPJP-NSHDSACASA-N -1 0 356.404 -0.588 20 0 FBADRM C[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(N2CCN(C(=O)[O-])CC2)cn1 ZINC000739039041 602127320 /nfs/dbraw/zinc/12/73/20/602127320.db2.gz XKABWJBSEXKWTR-JTQLQIEISA-N -1 0 371.419 -0.242 20 0 FBADRM C[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc(N2CCN(C(=O)[O-])CC2)cn1 ZINC000739039042 602127327 /nfs/dbraw/zinc/12/73/27/602127327.db2.gz XKABWJBSEXKWTR-SNVBAGLBSA-N -1 0 371.419 -0.242 20 0 FBADRM C[C@@H](OC(=O)CN(C)C(=O)[O-])C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000739040144 602209883 /nfs/dbraw/zinc/20/98/83/602209883.db2.gz AGMWVPCFMSJGDD-MRVPVSSYSA-N -1 0 359.360 -0.186 20 0 FBADRM C[C@H](OC(=O)CN(C)C(=O)[O-])C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000739040145 602209921 /nfs/dbraw/zinc/20/99/21/602209921.db2.gz AGMWVPCFMSJGDD-QMMMGPOBSA-N -1 0 359.360 -0.186 20 0 FBADRM C[C@@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)NC[C@H]1CCCO1 ZINC000739040333 603107568 /nfs/dbraw/zinc/10/75/68/603107568.db2.gz BVDGPJQOAYEQFS-GHMZBOCLSA-N -1 0 357.363 -0.965 20 0 FBADRM C[C@@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)NC[C@@H]1CCCO1 ZINC000739040336 603107523 /nfs/dbraw/zinc/10/75/23/603107523.db2.gz BVDGPJQOAYEQFS-MNOVXSKESA-N -1 0 357.363 -0.965 20 0 FBADRM C[C@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)NC[C@@H]1CCCO1 ZINC000739040340 603107555 /nfs/dbraw/zinc/10/75/55/603107555.db2.gz BVDGPJQOAYEQFS-QWRGUYRKSA-N -1 0 357.363 -0.965 20 0 FBADRM C[C@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)NC[C@H]1CCCO1 ZINC000739040345 603107242 /nfs/dbraw/zinc/10/72/42/603107242.db2.gz BVDGPJQOAYEQFS-WDEREUQCSA-N -1 0 357.363 -0.965 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739040914 601993376 /nfs/dbraw/zinc/99/33/76/601993376.db2.gz XQJXMHXIUSXAFW-NXEZZACHSA-N -1 0 374.419 -0.859 20 0 FBADRM C[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739040919 601993481 /nfs/dbraw/zinc/99/34/81/601993481.db2.gz XQJXMHXIUSXAFW-UWVGGRQHSA-N -1 0 374.419 -0.859 20 0 FBADRM C[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739040922 601993403 /nfs/dbraw/zinc/99/34/03/601993403.db2.gz XQJXMHXIUSXAFW-VHSXEESVSA-N -1 0 374.419 -0.859 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739040925 601993351 /nfs/dbraw/zinc/99/33/51/601993351.db2.gz XQJXMHXIUSXAFW-ZJUUUORDSA-N -1 0 374.419 -0.859 20 0 FBADRM C[C@@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)Nc1ncccn1 ZINC000739041466 603108923 /nfs/dbraw/zinc/10/89/23/603108923.db2.gz IVNPWGYSTOWTAK-SECBINFHSA-N -1 0 351.319 -0.831 20 0 FBADRM C[C@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)Nc1ncccn1 ZINC000739041467 603108838 /nfs/dbraw/zinc/10/88/38/603108838.db2.gz IVNPWGYSTOWTAK-VIFPVBQESA-N -1 0 351.319 -0.831 20 0 FBADRM C[C@@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)NC(=O)NC(C)(C)C ZINC000739042272 603109128 /nfs/dbraw/zinc/10/91/28/603109128.db2.gz OGGYXRHGFZCXHZ-SECBINFHSA-N -1 0 372.378 -0.635 20 0 FBADRM C[C@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)NC(=O)NC(C)(C)C ZINC000739042273 603109225 /nfs/dbraw/zinc/10/92/25/603109225.db2.gz OGGYXRHGFZCXHZ-VIFPVBQESA-N -1 0 372.378 -0.635 20 0 FBADRM C[C@@H](OC(=O)CN(C)C(=O)[O-])C(=O)N1CCN(c2ncccn2)CC1 ZINC000739042306 602208691 /nfs/dbraw/zinc/20/86/91/602208691.db2.gz OUQDMEZUPRJADL-LLVKDONJSA-N -1 0 351.363 -0.333 20 0 FBADRM C[C@H](OC(=O)CN(C)C(=O)[O-])C(=O)N1CCN(c2ncccn2)CC1 ZINC000739042307 602208763 /nfs/dbraw/zinc/20/87/63/602208763.db2.gz OUQDMEZUPRJADL-NSHDSACASA-N -1 0 351.363 -0.333 20 0 FBADRM C[C@@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)NCC(F)(F)F ZINC000739042770 603107638 /nfs/dbraw/zinc/10/76/38/603107638.db2.gz QJPHQBLEVWVUGU-SSDOTTSWSA-N -1 0 355.269 -0.581 20 0 FBADRM C[C@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)NCC(F)(F)F ZINC000739042771 603107540 /nfs/dbraw/zinc/10/75/40/603107540.db2.gz QJPHQBLEVWVUGU-ZETCQYMHSA-N -1 0 355.269 -0.581 20 0 FBADRM C[C@@H](OC(=O)CN(C)C(=O)[O-])C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000739043317 602209330 /nfs/dbraw/zinc/20/93/30/602209330.db2.gz VSNNIRCWXYKMNY-MRVPVSSYSA-N -1 0 359.360 -0.186 20 0 FBADRM C[C@H](OC(=O)CN(C)C(=O)[O-])C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000739043319 602209269 /nfs/dbraw/zinc/20/92/69/602209269.db2.gz VSNNIRCWXYKMNY-QMMMGPOBSA-N -1 0 359.360 -0.186 20 0 FBADRM C[C@H](OC(=O)[C@@H]1CCCN1C(=O)[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000739044249 602438687 /nfs/dbraw/zinc/43/86/87/602438687.db2.gz VFNJTBZHTXAJRJ-AXFHLTTASA-N -1 0 362.404 -0.294 20 0 FBADRM C[C@H](OC(=O)[C@@H]1CCCN1C(=O)[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000739044250 602438733 /nfs/dbraw/zinc/43/87/33/602438733.db2.gz VFNJTBZHTXAJRJ-DCAQKATOSA-N -1 0 362.404 -0.294 20 0 FBADRM C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000739044251 602438653 /nfs/dbraw/zinc/43/86/53/602438653.db2.gz VFNJTBZHTXAJRJ-MXWKQRLJSA-N -1 0 362.404 -0.294 20 0 FBADRM C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000739044252 602438638 /nfs/dbraw/zinc/43/86/38/602438638.db2.gz VFNJTBZHTXAJRJ-VWYCJHECSA-N -1 0 362.404 -0.294 20 0 FBADRM C[C@@H](OC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1)C(=O)NC(N)=O ZINC000739044569 602041967 /nfs/dbraw/zinc/04/19/67/602041967.db2.gz YLDKGQSTSSEAGP-SSDOTTSWSA-N -1 0 354.323 -0.667 20 0 FBADRM C[C@H](OC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1)C(=O)NC(N)=O ZINC000739044570 602041668 /nfs/dbraw/zinc/04/16/68/602041668.db2.gz YLDKGQSTSSEAGP-ZETCQYMHSA-N -1 0 354.323 -0.667 20 0 FBADRM C[C@@H](OC(=O)CC(C)(C)NC(=O)[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000739044814 603133416 /nfs/dbraw/zinc/13/34/16/603133416.db2.gz SLVMECGQFJXYCY-NXEZZACHSA-N -1 0 364.420 0.000 20 0 FBADRM C[C@H](OC(=O)CC(C)(C)NC(=O)[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000739044815 603133427 /nfs/dbraw/zinc/13/34/27/603133427.db2.gz SLVMECGQFJXYCY-UWVGGRQHSA-N -1 0 364.420 0.000 20 0 FBADRM C[C@H](OC(=O)CC(C)(C)NC(=O)[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000739044816 603133355 /nfs/dbraw/zinc/13/33/55/603133355.db2.gz SLVMECGQFJXYCY-VHSXEESVSA-N -1 0 364.420 0.000 20 0 FBADRM C[C@@H](OC(=O)CC(C)(C)NC(=O)[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000739044842 603133506 /nfs/dbraw/zinc/13/35/06/603133506.db2.gz SLVMECGQFJXYCY-ZJUUUORDSA-N -1 0 364.420 0.000 20 0 FBADRM C[C@H](OC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)C(=O)N1CCNC1=O ZINC000739045618 603276124 /nfs/dbraw/zinc/27/61/24/603276124.db2.gz LTEMZHWWDDYAQM-JTQLQIEISA-N -1 0 356.379 -0.456 20 0 FBADRM C[C@@H](OC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)C(=O)N1CCNC1=O ZINC000739045620 603275957 /nfs/dbraw/zinc/27/59/57/603275957.db2.gz LTEMZHWWDDYAQM-SNVBAGLBSA-N -1 0 356.379 -0.456 20 0 FBADRM Cn1cnc(S(=O)(=O)N(CCN2CCOCC2)CC(=O)[O-])c1Cl ZINC000739047181 600162304 /nfs/dbraw/zinc/16/23/04/600162304.db2.gz BQXONTQXSIXVJX-UHFFFAOYSA-N -1 0 366.827 -0.519 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)NCc1ccc(C(=O)[O-])o1)c(=O)n2C ZINC000739047330 600478325 /nfs/dbraw/zinc/47/83/25/600478325.db2.gz FMBWMEYMHSNCNQ-UHFFFAOYSA-N -1 0 361.314 -0.959 20 0 FBADRM C[C@@H](O)CN1CCN(C(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)CC1 ZINC000739047542 602424166 /nfs/dbraw/zinc/42/41/66/602424166.db2.gz SUZKKFZCPVRXOQ-GFCCVEGCSA-N -1 0 366.422 -0.268 20 0 FBADRM C[C@H](O)CN1CCN(C(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)CC1 ZINC000739047546 602423940 /nfs/dbraw/zinc/42/39/40/602423940.db2.gz SUZKKFZCPVRXOQ-LBPRGKRZSA-N -1 0 366.422 -0.268 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc(C(=O)[O-])c1O)c(=O)n2C ZINC000739047960 599720837 /nfs/dbraw/zinc/72/08/37/599720837.db2.gz JPOSKHFGGOPHJS-UHFFFAOYSA-N -1 0 373.325 -0.524 20 0 FBADRM C[C@H](Oc1ccc(OC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1)C(N)=O ZINC000739048142 603226093 /nfs/dbraw/zinc/22/60/93/603226093.db2.gz UFKZJXNWHZIFFQ-JTQLQIEISA-N -1 0 365.342 -0.333 20 0 FBADRM C[C@@H](Oc1ccc(OC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1)C(N)=O ZINC000739048144 603226024 /nfs/dbraw/zinc/22/60/24/603226024.db2.gz UFKZJXNWHZIFFQ-SNVBAGLBSA-N -1 0 365.342 -0.333 20 0 FBADRM C[C@H](OC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)C(=O)NC(=O)NC1CC1 ZINC000739048162 603277193 /nfs/dbraw/zinc/27/71/93/603277193.db2.gz UWBYRADCDDLFDP-JTQLQIEISA-N -1 0 370.406 -0.020 20 0 FBADRM C[C@@H](OC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)C(=O)NC(=O)NC1CC1 ZINC000739048164 603277288 /nfs/dbraw/zinc/27/72/88/603277288.db2.gz UWBYRADCDDLFDP-SNVBAGLBSA-N -1 0 370.406 -0.020 20 0 FBADRM C[C@H](OC(=O)[C@@H]1CCN(C(=O)[O-])C1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000739048199 602893716 /nfs/dbraw/zinc/89/37/16/602893716.db2.gz VRFJSOKGCDAAKE-AXFHLTTASA-N -1 0 362.404 -0.437 20 0 FBADRM C[C@H](OC(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000739048200 602893785 /nfs/dbraw/zinc/89/37/85/602893785.db2.gz VRFJSOKGCDAAKE-DCAQKATOSA-N -1 0 362.404 -0.437 20 0 FBADRM C[C@H](OC(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000739048205 602893794 /nfs/dbraw/zinc/89/37/94/602893794.db2.gz VRFJSOKGCDAAKE-GARJFASQSA-N -1 0 362.404 -0.437 20 0 FBADRM C[C@H](OC(=O)[C@@H]1CCN(C(=O)[O-])C1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000739048210 602893795 /nfs/dbraw/zinc/89/37/95/602893795.db2.gz VRFJSOKGCDAAKE-HBNTYKKESA-N -1 0 362.404 -0.437 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c(=O)n2C ZINC000739048769 600521746 /nfs/dbraw/zinc/52/17/46/600521746.db2.gz PFGPDXVOBPIPNX-JTQLQIEISA-N -1 0 351.363 -0.951 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)c(=O)n2C ZINC000739048772 600531550 /nfs/dbraw/zinc/53/15/50/600531550.db2.gz PFGPDXVOBPIPNX-SNVBAGLBSA-N -1 0 351.363 -0.951 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)Nc1cc(C(=O)[O-])ccn1)c(=O)n2C ZINC000739050362 600432690 /nfs/dbraw/zinc/43/26/90/600432690.db2.gz XWSNVIQVMWKMHM-UHFFFAOYSA-N -1 0 358.314 -0.834 20 0 FBADRM Cn1nc(C(C)(C)C)cc1NC(=O)CN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000739051338 600948135 /nfs/dbraw/zinc/94/81/35/600948135.db2.gz UPZMCEFVBXCWJC-JTQLQIEISA-N -1 0 351.407 -0.069 20 0 FBADRM Cn1nc(C(C)(C)C)cc1NC(=O)CN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000739051341 600948235 /nfs/dbraw/zinc/94/82/35/600948235.db2.gz UPZMCEFVBXCWJC-SNVBAGLBSA-N -1 0 351.407 -0.069 20 0 FBADRM Cn1cnc2c1c(=O)n(CCCOC(=O)CCCNC(=O)[O-])c(=O)n2C ZINC000739056509 600198820 /nfs/dbraw/zinc/19/88/20/600198820.db2.gz AAZLKBUBCOUSJU-UHFFFAOYSA-N -1 0 367.362 -0.585 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)Oc1ccccc1CC(=O)[O-])c(=O)n2C ZINC000739056562 600676197 /nfs/dbraw/zinc/67/61/97/600676197.db2.gz CZFKSMKQFPSIPX-UHFFFAOYSA-N -1 0 372.337 -0.334 20 0 FBADRM Cn1nc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])c2ccccc2c1=O ZINC000739057277 600265853 /nfs/dbraw/zinc/26/58/53/600265853.db2.gz IWQLYXWEWKECGK-UHFFFAOYSA-N -1 0 374.397 -0.208 20 0 FBADRM Cn1cnc2c1c(=O)n(CCCOC(=O)C(C)(C)NC(=O)[O-])c(=O)n2C ZINC000739057305 599864169 /nfs/dbraw/zinc/86/41/69/599864169.db2.gz KMWQCQMWGWSOQG-UHFFFAOYSA-N -1 0 367.362 -0.587 20 0 FBADRM Cn1cnnc1-c1cccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000739057312 600051640 /nfs/dbraw/zinc/05/16/40/600051640.db2.gz LAVFHAMDKVJTNN-GFCCVEGCSA-N -1 0 359.342 -0.267 20 0 FBADRM Cn1cnnc1-c1cccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000739057313 600051711 /nfs/dbraw/zinc/05/17/11/600051711.db2.gz LAVFHAMDKVJTNN-LBPRGKRZSA-N -1 0 359.342 -0.267 20 0 FBADRM Cn1nc(Br)c2c1ncn(CC(=O)OCCNC(=O)[O-])c2=O ZINC000739057317 601975084 /nfs/dbraw/zinc/97/50/84/601975084.db2.gz LJCKPZZIWGFPIT-UHFFFAOYSA-N -1 0 374.151 -0.297 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)Nc1ccsc1C(=O)[O-])c(=O)n2C ZINC000739057327 599804003 /nfs/dbraw/zinc/80/40/03/599804003.db2.gz LYKJRMUHPBXQNW-UHFFFAOYSA-N -1 0 363.355 -0.168 20 0 FBADRM Cn1cnc2c1c(=O)n(CCCOC(=O)[C@H]1C[C@H]1C(=O)[O-])c(=O)n2C ZINC000739058947 600169848 /nfs/dbraw/zinc/16/98/48/600169848.db2.gz SXHJRXMXBHDFRU-BDAKNGLRSA-N -1 0 350.331 -0.912 20 0 FBADRM Cn1cnc2c1c(=O)n(CCCOC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c(=O)n2C ZINC000739058948 600169856 /nfs/dbraw/zinc/16/98/56/600169856.db2.gz SXHJRXMXBHDFRU-DTWKUNHWSA-N -1 0 350.331 -0.912 20 0 FBADRM Cn1cnc2c1c(=O)n(CCCOC(=O)[C@H]1C[C@@H]1C(=O)[O-])c(=O)n2C ZINC000739058949 600170008 /nfs/dbraw/zinc/17/00/08/600170008.db2.gz SXHJRXMXBHDFRU-IUCAKERBSA-N -1 0 350.331 -0.912 20 0 FBADRM Cn1cnc2c1c(=O)n(CCCOC(=O)[C@@H]1C[C@H]1C(=O)[O-])c(=O)n2C ZINC000739058950 600169939 /nfs/dbraw/zinc/16/99/39/600169939.db2.gz SXHJRXMXBHDFRU-RKDXNWHRSA-N -1 0 350.331 -0.912 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)Oc1cccc(CC(=O)[O-])c1)c(=O)n2C ZINC000739059008 600024207 /nfs/dbraw/zinc/02/42/07/600024207.db2.gz WLMWZFDHPPNCMA-UHFFFAOYSA-N -1 0 372.337 -0.334 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)OCc1cc(C(=O)[O-])co1)c(=O)n2C ZINC000739059010 599880336 /nfs/dbraw/zinc/88/03/36/599880336.db2.gz WOUHUNROTPFSOU-UHFFFAOYSA-N -1 0 362.298 -0.532 20 0 FBADRM Cn1cnc2c1c(=O)n(CCCOC(=O)CCNC(=O)[O-])c(=O)n2C ZINC000739059357 600203746 /nfs/dbraw/zinc/20/37/46/600203746.db2.gz ZJGGPQOQMMNNCG-UHFFFAOYSA-N -1 0 353.335 -0.975 20 0 FBADRM Cn1ncc2c1nc(CN(CCN1CCOCC1)CC(=O)[O-])[nH]c2=O ZINC000739060473 600316474 /nfs/dbraw/zinc/31/64/74/600316474.db2.gz VGDSAGXPXPLOFV-UHFFFAOYSA-N -1 0 350.379 -0.712 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)OCC(=O)c1cc(C(=O)[O-])co1)c2=O ZINC000739062375 600139827 /nfs/dbraw/zinc/13/98/27/600139827.db2.gz GXOUQVQYCIKEPU-UHFFFAOYSA-N -1 0 360.282 -0.153 20 0 FBADRM CC1(C)CN(CCNC(=O)NCCN2CCN(C(=O)[O-])CC2)CCO1 ZINC000739062933 602146095 /nfs/dbraw/zinc/14/60/95/602146095.db2.gz CJSVORQSHFWQGP-UHFFFAOYSA-N -1 0 357.455 -0.308 20 0 FBADRM C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739063046 602376107 /nfs/dbraw/zinc/37/61/07/602376107.db2.gz JOLZPYGMENVUOB-JTQLQIEISA-N -1 0 366.426 -0.665 20 0 FBADRM C[C@H](c1nc(N)nc(N(C)C)n1)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739063047 602376283 /nfs/dbraw/zinc/37/62/83/602376283.db2.gz JOLZPYGMENVUOB-SNVBAGLBSA-N -1 0 366.426 -0.665 20 0 FBADRM Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCC[C@@H]2C(=O)[O-])CC1 ZINC000739063170 600436830 /nfs/dbraw/zinc/43/68/30/600436830.db2.gz VYNJJTFRPOOHOS-CYBMUJFWSA-N -1 0 373.417 -0.439 20 0 FBADRM Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCC[C@H]2C(=O)[O-])CC1 ZINC000739063172 600436623 /nfs/dbraw/zinc/43/66/23/600436623.db2.gz VYNJJTFRPOOHOS-ZDUSSCGKSA-N -1 0 373.417 -0.439 20 0 FBADRM CC1(C)CN(CCNC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CCO1 ZINC000739063966 602129892 /nfs/dbraw/zinc/12/98/92/602129892.db2.gz PHTTUCCDJUHJCS-UHFFFAOYSA-N -1 0 371.438 -0.781 20 0 FBADRM C[C@H](c1nc(N)nc(N(C)C)n1)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739065479 602868009 /nfs/dbraw/zinc/86/80/09/602868009.db2.gz TXYSPUQDQCLUNB-LLVKDONJSA-N -1 0 352.443 -0.192 20 0 FBADRM C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739065481 602867941 /nfs/dbraw/zinc/86/79/41/602867941.db2.gz TXYSPUQDQCLUNB-NSHDSACASA-N -1 0 352.443 -0.192 20 0 FBADRM CC1(C)C(=O)NC(=O)N1CC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739068141 603118823 /nfs/dbraw/zinc/11/88/23/603118823.db2.gz SBRNGUMXKDRUCN-UHFFFAOYSA-N -1 0 355.395 -0.881 20 0 FBADRM C[C@@]1(c2ccc(CNC(=O)COCCNC(=O)[O-])cc2)NC(=O)NC1=O ZINC000739068945 602664496 /nfs/dbraw/zinc/66/44/96/602664496.db2.gz JPBIZVAOZZRHNJ-INIZCTEOSA-N -1 0 364.358 -0.358 20 0 FBADRM C[C@]1(c2ccc(CNC(=O)COCCNC(=O)[O-])cc2)NC(=O)NC1=O ZINC000739068949 602664415 /nfs/dbraw/zinc/66/44/15/602664415.db2.gz JPBIZVAOZZRHNJ-MRXNPFEDSA-N -1 0 364.358 -0.358 20 0 FBADRM CC1(C)C(=O)NCCN1C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739069117 602496781 /nfs/dbraw/zinc/49/67/81/602496781.db2.gz VFBSPOIANDJGLF-UHFFFAOYSA-N -1 0 350.379 -0.056 20 0 FBADRM C[C@@]1(c2ccc(NC(=O)COCCNC(=O)[O-])cc2)NC(=O)NC1=O ZINC000739069154 602660840 /nfs/dbraw/zinc/66/08/40/602660840.db2.gz COZOEHIOVQEDEA-HNNXBMFYSA-N -1 0 350.331 -0.036 20 0 FBADRM C[C@]1(c2ccc(NC(=O)COCCNC(=O)[O-])cc2)NC(=O)NC1=O ZINC000739069155 602660911 /nfs/dbraw/zinc/66/09/11/602660911.db2.gz COZOEHIOVQEDEA-OAHLLOKOSA-N -1 0 350.331 -0.036 20 0 FBADRM CC1(C)[C@H](NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)[C@@H]2CCO[C@H]21 ZINC000739071192 603082481 /nfs/dbraw/zinc/08/24/81/603082481.db2.gz ZMVBQUBEBCHRPG-CYZMBNFOSA-N -1 0 354.407 -0.079 20 0 FBADRM CC1(C)[C@H](NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)[C@H]2CCO[C@H]21 ZINC000739071194 603082257 /nfs/dbraw/zinc/08/22/57/603082257.db2.gz ZMVBQUBEBCHRPG-RAIGVLPGSA-N -1 0 354.407 -0.079 20 0 FBADRM CC1(C)[C@H](NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)[C@H]2CCO[C@@H]21 ZINC000739071196 603082358 /nfs/dbraw/zinc/08/23/58/603082358.db2.gz ZMVBQUBEBCHRPG-RTXFEEFZSA-N -1 0 354.407 -0.079 20 0 FBADRM CC1(C)[C@H](NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)[C@@H]2CCO[C@@H]21 ZINC000739071199 603082201 /nfs/dbraw/zinc/08/22/01/603082201.db2.gz ZMVBQUBEBCHRPG-UHTWSYAYSA-N -1 0 354.407 -0.079 20 0 FBADRM CC(C)(C(=O)OCCN1C(=O)NC(C)(C)C1=O)N1CCN(C(=O)[O-])CC1 ZINC000739074139 603279566 /nfs/dbraw/zinc/27/95/66/603279566.db2.gz IZKOEJZWHPGNJH-UHFFFAOYSA-N -1 0 370.406 -0.066 20 0 FBADRM C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COCCNC(=O)[O-])C1=O ZINC000739074509 602673412 /nfs/dbraw/zinc/67/34/12/602673412.db2.gz VOWFZUFAMCVSOG-HNNXBMFYSA-N -1 0 350.331 -0.231 20 0 FBADRM C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COCCNC(=O)[O-])C1=O ZINC000739074510 602673628 /nfs/dbraw/zinc/67/36/28/602673628.db2.gz VOWFZUFAMCVSOG-OAHLLOKOSA-N -1 0 350.331 -0.231 20 0 FBADRM C[C@@]1(c2cccc(NC(=O)COCCNC(=O)[O-])c2)NC(=O)NC1=O ZINC000739074599 602660819 /nfs/dbraw/zinc/66/08/19/602660819.db2.gz WRNZCUYEPSEWJR-HNNXBMFYSA-N -1 0 350.331 -0.036 20 0 FBADRM C[C@]1(c2cccc(NC(=O)COCCNC(=O)[O-])c2)NC(=O)NC1=O ZINC000739074600 602660829 /nfs/dbraw/zinc/66/08/29/602660829.db2.gz WRNZCUYEPSEWJR-OAHLLOKOSA-N -1 0 350.331 -0.036 20 0 FBADRM C[C@H]1CC(=O)NCCN1C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739074806 602955852 /nfs/dbraw/zinc/95/58/52/602955852.db2.gz JOUHJDLQJXASTH-JTQLQIEISA-N -1 0 350.379 -0.056 20 0 FBADRM C[C@@H]1CC(=O)NCCN1C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739074811 602955876 /nfs/dbraw/zinc/95/58/76/602955876.db2.gz JOUHJDLQJXASTH-SNVBAGLBSA-N -1 0 350.379 -0.056 20 0 FBADRM CC1(C)COCCN1CCNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739074885 602289043 /nfs/dbraw/zinc/28/90/43/602289043.db2.gz MLCDIDXAGDVGEK-UHFFFAOYSA-N -1 0 357.455 -0.308 20 0 FBADRM C[C@]1(c2cccc(NC(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])c2)NC(=O)NC1=O ZINC000739075039 603069391 /nfs/dbraw/zinc/06/93/91/603069391.db2.gz XMFDKDSKBQUMIX-GLKRBJQHSA-N -1 0 362.342 -0.207 20 0 FBADRM C[C@]1(c2cccc(NC(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])c2)NC(=O)NC1=O ZINC000739075040 603069247 /nfs/dbraw/zinc/06/92/47/603069247.db2.gz XMFDKDSKBQUMIX-LYOVBCGYSA-N -1 0 362.342 -0.207 20 0 FBADRM C[C@]1(c2cccc(NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])c2)NC(=O)NC1=O ZINC000739075041 603069584 /nfs/dbraw/zinc/06/95/84/603069584.db2.gz XMFDKDSKBQUMIX-OHUAYANFSA-N -1 0 362.342 -0.207 20 0 FBADRM C[C@]1(c2cccc(NC(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])c2)NC(=O)NC1=O ZINC000739075042 603069300 /nfs/dbraw/zinc/06/93/00/603069300.db2.gz XMFDKDSKBQUMIX-XMZIXOGTSA-N -1 0 362.342 -0.207 20 0 FBADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739075174 603048289 /nfs/dbraw/zinc/04/82/89/603048289.db2.gz KTQMQMAFATVLJM-JJPWZELDSA-N -1 0 372.447 -0.150 20 0 FBADRM C[C@@H]1[C@@H](C)[S@](=O)CCN1CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739075176 603048152 /nfs/dbraw/zinc/04/81/52/603048152.db2.gz KTQMQMAFATVLJM-GILQPQBKSA-N -1 0 372.447 -0.150 20 0 FBADRM C[C@@H]1[C@H](C)[S@](=O)CCN1CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739075178 603051151 /nfs/dbraw/zinc/05/11/51/603051151.db2.gz KTQMQMAFATVLJM-FAXRNKGOSA-N -1 0 372.447 -0.150 20 0 FBADRM C[C@@H]1[C@@H](C)[S@@](=O)CCN1CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739075180 603051020 /nfs/dbraw/zinc/05/10/20/603051020.db2.gz KTQMQMAFATVLJM-PQIHIXOVSA-N -1 0 372.447 -0.150 20 0 FBADRM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739075304 603305962 /nfs/dbraw/zinc/30/59/62/603305962.db2.gz LNZMJKDULIWQAN-JEKXNZCQSA-N -1 0 360.436 -0.641 20 0 FBADRM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739075308 603306078 /nfs/dbraw/zinc/30/60/78/603306078.db2.gz LNZMJKDULIWQAN-UTDUZKHQSA-N -1 0 360.436 -0.641 20 0 FBADRM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739075311 603305881 /nfs/dbraw/zinc/30/58/81/603305881.db2.gz LNZMJKDULIWQAN-WVMLHGJZSA-N -1 0 360.436 -0.641 20 0 FBADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739075313 603306239 /nfs/dbraw/zinc/30/62/39/603306239.db2.gz LNZMJKDULIWQAN-VLBDKCSNSA-N -1 0 360.436 -0.641 20 0 FBADRM CC1(C)NC(=O)N(CCCOC(=O)CN2CCN(C(=O)[O-])CC2=O)C1=O ZINC000739076678 603109367 /nfs/dbraw/zinc/10/93/67/603109367.db2.gz XQDPNEIKNWWQRQ-UHFFFAOYSA-N -1 0 370.362 -0.928 20 0 FBADRM CC1(C)COCCN1CCNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739076730 602289079 /nfs/dbraw/zinc/28/90/79/602289079.db2.gz YKAPJILRRZWEOF-UHFFFAOYSA-N -1 0 371.438 -0.781 20 0 FBADRM C[C@H]1C[C@H](C)CN(C(=O)COC(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739083461 603112306 /nfs/dbraw/zinc/11/23/06/603112306.db2.gz XUTOVLJGBRHNFE-RYUDHWBXSA-N -1 0 355.391 -0.144 20 0 FBADRM C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739083463 603112255 /nfs/dbraw/zinc/11/22/55/603112255.db2.gz XUTOVLJGBRHNFE-TXEJJXNPSA-N -1 0 355.391 -0.144 20 0 FBADRM C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739083465 603112308 /nfs/dbraw/zinc/11/23/08/603112308.db2.gz XUTOVLJGBRHNFE-VXGBXAGGSA-N -1 0 355.391 -0.144 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)CN(C)C(=O)[O-])C2=O ZINC000739091498 602210487 /nfs/dbraw/zinc/21/04/87/602210487.db2.gz KGIVDQPQOUROFX-UHFFFAOYSA-N -1 0 370.362 -0.329 20 0 FBADRM C[C@H]1CCCC[C@]1(CNC(=O)[O-])NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000739092849 602790226 /nfs/dbraw/zinc/79/02/26/602790226.db2.gz CQSXHWPUKGNTRF-BJOHPYRUSA-N -1 0 354.363 -0.260 20 0 FBADRM C[C@@H]1CCCC[C@@]1(CNC(=O)[O-])NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000739092850 602790215 /nfs/dbraw/zinc/79/02/15/602790215.db2.gz CQSXHWPUKGNTRF-PSLIRLAXSA-N -1 0 354.363 -0.260 20 0 FBADRM C[C@@H]1CCCC[C@]1(CNC(=O)[O-])NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000739092851 602790014 /nfs/dbraw/zinc/79/00/14/602790014.db2.gz CQSXHWPUKGNTRF-RFAUZJTJSA-N -1 0 354.363 -0.260 20 0 FBADRM C[C@H]1CCCC[C@@]1(CNC(=O)[O-])NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000739092852 602790041 /nfs/dbraw/zinc/79/00/41/602790041.db2.gz CQSXHWPUKGNTRF-VFZGTOFNSA-N -1 0 354.363 -0.260 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CC[C@H](NC(=O)[O-])C1)C2=O ZINC000739094213 605936980 /nfs/dbraw/zinc/93/69/80/605936980.db2.gz VFCMXRAYOKJNHY-CSJGVYOVSA-N -1 0 367.406 -0.140 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CC[C@@H](NC(=O)[O-])C1)C2=O ZINC000739094217 604431897 /nfs/dbraw/zinc/43/18/97/604431897.db2.gz VFCMXRAYOKJNHY-NOEPWBJOSA-N -1 0 367.406 -0.140 20 0 FBADRM C[C@@H]1CCCC[C@]1(CNC(=O)[O-])NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000739097065 602430778 /nfs/dbraw/zinc/43/07/78/602430778.db2.gz QQNCDWHLBVGJLO-BDJLRTHQSA-N -1 0 352.391 -0.120 20 0 FBADRM C[C@@H]1CCCC[C@@]1(CNC(=O)[O-])NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000739097067 602430863 /nfs/dbraw/zinc/43/08/63/602430863.db2.gz QQNCDWHLBVGJLO-BZNIZROVSA-N -1 0 352.391 -0.120 20 0 FBADRM C[C@H]1CCCC[C@]1(CNC(=O)[O-])NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000739097069 602430750 /nfs/dbraw/zinc/43/07/50/602430750.db2.gz QQNCDWHLBVGJLO-MEDUHNTESA-N -1 0 352.391 -0.120 20 0 FBADRM C[C@H]1CCCC[C@@]1(CNC(=O)[O-])NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000739097070 602430843 /nfs/dbraw/zinc/43/08/43/602430843.db2.gz QQNCDWHLBVGJLO-ZBEGNZNMSA-N -1 0 352.391 -0.120 20 0 FBADRM C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000739111199 602659731 /nfs/dbraw/zinc/65/97/31/602659731.db2.gz YNGIHFHNCQYCAX-AWEZNQCLSA-N -1 0 370.450 -0.184 20 0 FBADRM C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000739111201 602659760 /nfs/dbraw/zinc/65/97/60/602659760.db2.gz YNGIHFHNCQYCAX-CQSZACIVSA-N -1 0 370.450 -0.184 20 0 FBADRM C[C@@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)N1CCC(C)CC1 ZINC000739113882 603112547 /nfs/dbraw/zinc/11/25/47/603112547.db2.gz SDXWGJVJAOIBON-GFCCVEGCSA-N -1 0 355.391 -0.001 20 0 FBADRM C[C@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)N1CCC(C)CC1 ZINC000739113883 603112521 /nfs/dbraw/zinc/11/25/21/603112521.db2.gz SDXWGJVJAOIBON-LBPRGKRZSA-N -1 0 355.391 -0.001 20 0 FBADRM C[C@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CCN1C(=O)[O-] ZINC000739117400 602942507 /nfs/dbraw/zinc/94/25/07/602942507.db2.gz AVTWSVUYMFLTAV-JTQLQIEISA-N -1 0 354.388 -0.305 20 0 FBADRM C[C@@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CCN1C(=O)[O-] ZINC000739117404 602942430 /nfs/dbraw/zinc/94/24/30/602942430.db2.gz AVTWSVUYMFLTAV-SNVBAGLBSA-N -1 0 354.388 -0.305 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCN1C(=O)[O-] ZINC000739118626 602948604 /nfs/dbraw/zinc/94/86/04/602948604.db2.gz DQRFYNOOXWRWTO-GRYCIOLGSA-N -1 0 373.431 -0.767 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCN1C(=O)[O-] ZINC000739118628 602948476 /nfs/dbraw/zinc/94/84/76/602948476.db2.gz DQRFYNOOXWRWTO-IJLUTSLNSA-N -1 0 373.431 -0.767 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCN1C(=O)[O-] ZINC000739118631 602948481 /nfs/dbraw/zinc/94/84/81/602948481.db2.gz DQRFYNOOXWRWTO-UTUOFQBUSA-N -1 0 373.431 -0.767 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCN1C(=O)[O-] ZINC000739118634 602949566 /nfs/dbraw/zinc/94/95/66/602949566.db2.gz DQRFYNOOXWRWTO-WOPDTQHZSA-N -1 0 373.431 -0.767 20 0 FBADRM C[C@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CCN1C(=O)[O-] ZINC000739119423 602930188 /nfs/dbraw/zinc/93/01/88/602930188.db2.gz GAOLNJTWMVURJE-JTQLQIEISA-N -1 0 354.388 -0.305 20 0 FBADRM C[C@@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CCN1C(=O)[O-] ZINC000739119424 602930060 /nfs/dbraw/zinc/93/00/60/602930060.db2.gz GAOLNJTWMVURJE-SNVBAGLBSA-N -1 0 354.388 -0.305 20 0 FBADRM C[C@@H]1CN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)C[C@@H](C)N1C(=O)[O-] ZINC000739122310 602809230 /nfs/dbraw/zinc/80/92/30/602809230.db2.gz BQBKCCXMTFAZRY-ADRPCIBZSA-N -1 0 350.375 -0.304 20 0 FBADRM C[C@@H]1CN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C[C@H](C)N1C(=O)[O-] ZINC000739122311 602809207 /nfs/dbraw/zinc/80/92/07/602809207.db2.gz BQBKCCXMTFAZRY-SKUMGHAQSA-N -1 0 350.375 -0.304 20 0 FBADRM C[C@@H]1CN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)C[C@H](C)N1C(=O)[O-] ZINC000739122312 602809186 /nfs/dbraw/zinc/80/91/86/602809186.db2.gz BQBKCCXMTFAZRY-UORZZXJBSA-N -1 0 350.375 -0.304 20 0 FBADRM C[C@@H]1CN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C[C@@H](C)N1C(=O)[O-] ZINC000739122313 602809137 /nfs/dbraw/zinc/80/91/37/602809137.db2.gz BQBKCCXMTFAZRY-XIJCSBCJSA-N -1 0 350.375 -0.304 20 0 FBADRM C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCN1C(=O)[O-] ZINC000739122922 602947891 /nfs/dbraw/zinc/94/78/91/602947891.db2.gz MEWSBAVMEIGGHK-KBPBESRZSA-N -1 0 368.434 -0.622 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCN1C(=O)[O-] ZINC000739122923 602947972 /nfs/dbraw/zinc/94/79/72/602947972.db2.gz MEWSBAVMEIGGHK-KGLIPLIRSA-N -1 0 368.434 -0.622 20 0 FBADRM C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCN1C(=O)[O-] ZINC000739122925 602947789 /nfs/dbraw/zinc/94/77/89/602947789.db2.gz MEWSBAVMEIGGHK-UONOGXRCSA-N -1 0 368.434 -0.622 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCN1C(=O)[O-] ZINC000739122926 602947967 /nfs/dbraw/zinc/94/79/67/602947967.db2.gz MEWSBAVMEIGGHK-ZIAGYGMSSA-N -1 0 368.434 -0.622 20 0 FBADRM C[C@H]1CN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC[C@H]1NC(=O)[O-] ZINC000739123955 603330253 /nfs/dbraw/zinc/33/02/53/603330253.db2.gz IJSAJDPQODQDMF-GXSJLCMTSA-N -1 0 359.408 -0.575 20 0 FBADRM C[C@@H]1CN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC[C@@H]1NC(=O)[O-] ZINC000739123956 603330024 /nfs/dbraw/zinc/33/00/24/603330024.db2.gz IJSAJDPQODQDMF-KOLCDFICSA-N -1 0 359.408 -0.575 20 0 FBADRM C[C@@H]1CN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC[C@H]1NC(=O)[O-] ZINC000739123957 603330069 /nfs/dbraw/zinc/33/00/69/603330069.db2.gz IJSAJDPQODQDMF-MWLCHTKSSA-N -1 0 359.408 -0.575 20 0 FBADRM C[C@H]1CN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC[C@@H]1NC(=O)[O-] ZINC000739123958 603329822 /nfs/dbraw/zinc/32/98/22/603329822.db2.gz IJSAJDPQODQDMF-ONGXEEELSA-N -1 0 359.408 -0.575 20 0 FBADRM C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccnc2)CCN1C(=O)[O-] ZINC000739124555 602925147 /nfs/dbraw/zinc/92/51/47/602925147.db2.gz LBKVEVZETRPFFR-LLVKDONJSA-N -1 0 356.404 -0.039 20 0 FBADRM C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccnc2)CCN1C(=O)[O-] ZINC000739124557 602925074 /nfs/dbraw/zinc/92/50/74/602925074.db2.gz LBKVEVZETRPFFR-NSHDSACASA-N -1 0 356.404 -0.039 20 0 FBADRM C[C@@H]1CN(C(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)CCN1C(=O)[O-] ZINC000739125024 602925312 /nfs/dbraw/zinc/92/53/12/602925312.db2.gz LGQPEGCBCWCFGG-MRVPVSSYSA-N -1 0 364.362 -0.495 20 0 FBADRM C[C@H]1CN(C(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)CCN1C(=O)[O-] ZINC000739125026 602925112 /nfs/dbraw/zinc/92/51/12/602925112.db2.gz LGQPEGCBCWCFGG-QMMMGPOBSA-N -1 0 364.362 -0.495 20 0 FBADRM C[C@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC[C@H]1NC(=O)[O-] ZINC000739125172 603370806 /nfs/dbraw/zinc/37/08/06/603370806.db2.gz RWPQEQITDYJMPK-CMPLNLGQSA-N -1 0 368.415 -0.011 20 0 FBADRM C[C@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC[C@@H]1NC(=O)[O-] ZINC000739125173 603370648 /nfs/dbraw/zinc/37/06/48/603370648.db2.gz RWPQEQITDYJMPK-JQWIXIFHSA-N -1 0 368.415 -0.011 20 0 FBADRM C[C@@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC[C@@H]1NC(=O)[O-] ZINC000739125175 603370641 /nfs/dbraw/zinc/37/06/41/603370641.db2.gz RWPQEQITDYJMPK-PWSUYJOCSA-N -1 0 368.415 -0.011 20 0 FBADRM C[C@@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC[C@H]1NC(=O)[O-] ZINC000739125177 603370633 /nfs/dbraw/zinc/37/06/33/603370633.db2.gz RWPQEQITDYJMPK-ZYHUDNBSSA-N -1 0 368.415 -0.011 20 0 FBADRM C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccnc2)CCN1C(=O)[O-] ZINC000739125836 602921330 /nfs/dbraw/zinc/92/13/30/602921330.db2.gz OXGRIDUHBSYMKK-LLVKDONJSA-N -1 0 356.404 -0.087 20 0 FBADRM C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccnc2)CCN1C(=O)[O-] ZINC000739125838 602921166 /nfs/dbraw/zinc/92/11/66/602921166.db2.gz OXGRIDUHBSYMKK-NSHDSACASA-N -1 0 356.404 -0.087 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)CCS1(=O)=O ZINC000739125955 603154963 /nfs/dbraw/zinc/15/49/63/603154963.db2.gz VOGXFFDCXGYOPB-MRVPVSSYSA-N -1 0 356.360 -0.245 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)CCS1(=O)=O ZINC000739125956 603155199 /nfs/dbraw/zinc/15/51/99/603155199.db2.gz VOGXFFDCXGYOPB-QMMMGPOBSA-N -1 0 356.360 -0.245 20 0 FBADRM C[C@@H]1CN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)CCN1C(=O)[O-] ZINC000739126095 602946716 /nfs/dbraw/zinc/94/67/16/602946716.db2.gz KMTKVNDCOBRSSX-LLVKDONJSA-N -1 0 374.405 -0.054 20 0 FBADRM C[C@H]1CN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)CCN1C(=O)[O-] ZINC000739126098 602946547 /nfs/dbraw/zinc/94/65/47/602946547.db2.gz KMTKVNDCOBRSSX-NSHDSACASA-N -1 0 374.405 -0.054 20 0 FBADRM C[C@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC[C@H]1NC(=O)[O-] ZINC000739126390 603364495 /nfs/dbraw/zinc/36/44/95/603364495.db2.gz WAJWYZVCAZZCQB-CMPLNLGQSA-N -1 0 368.415 -0.011 20 0 FBADRM C[C@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC[C@@H]1NC(=O)[O-] ZINC000739126392 603364649 /nfs/dbraw/zinc/36/46/49/603364649.db2.gz WAJWYZVCAZZCQB-JQWIXIFHSA-N -1 0 368.415 -0.011 20 0 FBADRM C[C@@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC[C@@H]1NC(=O)[O-] ZINC000739126394 603364653 /nfs/dbraw/zinc/36/46/53/603364653.db2.gz WAJWYZVCAZZCQB-PWSUYJOCSA-N -1 0 368.415 -0.011 20 0 FBADRM C[C@@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC[C@H]1NC(=O)[O-] ZINC000739126396 603364622 /nfs/dbraw/zinc/36/46/22/603364622.db2.gz WAJWYZVCAZZCQB-ZYHUDNBSSA-N -1 0 368.415 -0.011 20 0 FBADRM C[C@@H]1CN(C(=O)CCn2cc(S(N)(=O)=O)cn2)C[C@H](C)N1C(=O)[O-] ZINC000739128123 602801978 /nfs/dbraw/zinc/80/19/78/602801978.db2.gz VKEANTODIBISQL-AOOOYVTPSA-N -1 0 359.408 -0.480 20 0 FBADRM C[C@@H]1CN(C(=O)CCn2cc(S(N)(=O)=O)cn2)C[C@@H](C)N1C(=O)[O-] ZINC000739128124 602801820 /nfs/dbraw/zinc/80/18/20/602801820.db2.gz VKEANTODIBISQL-NXEZZACHSA-N -1 0 359.408 -0.480 20 0 FBADRM C[C@H]1CN(C(=O)CCn2cc(S(N)(=O)=O)cn2)C[C@H](C)N1C(=O)[O-] ZINC000739128125 602801963 /nfs/dbraw/zinc/80/19/63/602801963.db2.gz VKEANTODIBISQL-UWVGGRQHSA-N -1 0 359.408 -0.480 20 0 FBADRM C[C@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC[C@H]1NC(=O)[O-] ZINC000739129670 603369308 /nfs/dbraw/zinc/36/93/08/603369308.db2.gz AIEBFYHDBUCLOC-GXSJLCMTSA-N -1 0 359.408 -0.797 20 0 FBADRM C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC[C@@H]1NC(=O)[O-] ZINC000739129671 603369270 /nfs/dbraw/zinc/36/92/70/603369270.db2.gz AIEBFYHDBUCLOC-KOLCDFICSA-N -1 0 359.408 -0.797 20 0 FBADRM C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC[C@H]1NC(=O)[O-] ZINC000739129672 603369250 /nfs/dbraw/zinc/36/92/50/603369250.db2.gz AIEBFYHDBUCLOC-MWLCHTKSSA-N -1 0 359.408 -0.797 20 0 FBADRM C[C@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC[C@@H]1NC(=O)[O-] ZINC000739129673 603369346 /nfs/dbraw/zinc/36/93/46/603369346.db2.gz AIEBFYHDBUCLOC-ONGXEEELSA-N -1 0 359.408 -0.797 20 0 FBADRM C[C@@H]1CN(C(=O)COC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CCO1 ZINC000739129792 603279528 /nfs/dbraw/zinc/27/95/28/603279528.db2.gz BHKZNJPBOLEKPG-GFCCVEGCSA-N -1 0 357.407 -0.149 20 0 FBADRM C[C@H]1CN(C(=O)COC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CCO1 ZINC000739129794 603279174 /nfs/dbraw/zinc/27/91/74/603279174.db2.gz BHKZNJPBOLEKPG-LBPRGKRZSA-N -1 0 357.407 -0.149 20 0 FBADRM C[C@@H]1CN(C(=O)NCCC(=O)N2CCN(C)CC2)CC[C@H]1NC(=O)[O-] ZINC000739130684 602931850 /nfs/dbraw/zinc/93/18/50/602931850.db2.gz ATGSTKBDRLJYML-CHWSQXEVSA-N -1 0 355.439 -0.162 20 0 FBADRM C[C@@H]1CN(C(=O)NCCC(=O)N2CCN(C)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739130686 602931718 /nfs/dbraw/zinc/93/17/18/602931718.db2.gz ATGSTKBDRLJYML-OLZOCXBDSA-N -1 0 355.439 -0.162 20 0 FBADRM C[C@H]1CN(C(=O)NCCC(=O)N2CCN(C)CC2)CC[C@H]1NC(=O)[O-] ZINC000739130688 602931701 /nfs/dbraw/zinc/93/17/01/602931701.db2.gz ATGSTKBDRLJYML-QWHCGFSZSA-N -1 0 355.439 -0.162 20 0 FBADRM C[C@H]1CN(C(=O)NCCC(=O)N2CCN(C)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739130690 602931881 /nfs/dbraw/zinc/93/18/81/602931881.db2.gz ATGSTKBDRLJYML-STQMWFEESA-N -1 0 355.439 -0.162 20 0 FBADRM C[C@@H]1CN(C(=O)CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C[C@@H](C)O1 ZINC000739130999 603295342 /nfs/dbraw/zinc/29/53/42/603295342.db2.gz DNTKZHOHZVCPCO-GHMZBOCLSA-N -1 0 368.390 -0.313 20 0 FBADRM C[C@@H]1CN(C(=O)CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C[C@H](C)O1 ZINC000739131000 603295226 /nfs/dbraw/zinc/29/52/26/603295226.db2.gz DNTKZHOHZVCPCO-PHIMTYICSA-N -1 0 368.390 -0.313 20 0 FBADRM C[C@H]1CN(C(=O)CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C[C@H](C)O1 ZINC000739131001 603295202 /nfs/dbraw/zinc/29/52/02/603295202.db2.gz DNTKZHOHZVCPCO-QWRGUYRKSA-N -1 0 368.390 -0.313 20 0 FBADRM C[C@@H]1CN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC[C@H]1NC(=O)[O-] ZINC000739131894 603363137 /nfs/dbraw/zinc/36/31/37/603363137.db2.gz ZPHOMTVHMCMEJP-DJVCXFJCSA-N -1 0 350.375 -0.398 20 0 FBADRM C[C@@H]1CN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1NC(=O)[O-] ZINC000739131899 603363008 /nfs/dbraw/zinc/36/30/08/603363008.db2.gz ZPHOMTVHMCMEJP-PRANIUCASA-N -1 0 350.375 -0.398 20 0 FBADRM C[C@@H]1CN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1NC(=O)[O-] ZINC000739131903 603363216 /nfs/dbraw/zinc/36/32/16/603363216.db2.gz ZPHOMTVHMCMEJP-SFLCEZBHSA-N -1 0 350.375 -0.398 20 0 FBADRM C[C@@H]1CN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)CC[C@H]1NC(=O)[O-] ZINC000739131906 603363252 /nfs/dbraw/zinc/36/32/52/603363252.db2.gz ZPHOMTVHMCMEJP-ZHLVKLTDSA-N -1 0 350.375 -0.398 20 0 FBADRM C[C@@H]1CN(C(=O)NCCC(=O)N2CCN(C)CC2)C[C@H](C)N1C(=O)[O-] ZINC000739135254 602956957 /nfs/dbraw/zinc/95/69/57/602956957.db2.gz LHSKOVAMWSAXIK-BETUJISGSA-N -1 0 355.439 -0.067 20 0 FBADRM C[C@@H]1CN(C(=O)NCCC(=O)N2CCN(C)CC2)C[C@@H](C)N1C(=O)[O-] ZINC000739135255 602956998 /nfs/dbraw/zinc/95/69/98/602956998.db2.gz LHSKOVAMWSAXIK-CHWSQXEVSA-N -1 0 355.439 -0.067 20 0 FBADRM C[C@H]1CN(C(=O)NCCC(=O)N2CCN(C)CC2)C[C@H](C)N1C(=O)[O-] ZINC000739135256 602956970 /nfs/dbraw/zinc/95/69/70/602956970.db2.gz LHSKOVAMWSAXIK-STQMWFEESA-N -1 0 355.439 -0.067 20 0 FBADRM C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@H](C)N1C(=O)[O-] ZINC000739136190 602807869 /nfs/dbraw/zinc/80/78/69/602807869.db2.gz REGGVZWFNPWPOQ-AOOOYVTPSA-N -1 0 359.408 -0.702 20 0 FBADRM C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@@H](C)N1C(=O)[O-] ZINC000739136191 602807916 /nfs/dbraw/zinc/80/79/16/602807916.db2.gz REGGVZWFNPWPOQ-NXEZZACHSA-N -1 0 359.408 -0.702 20 0 FBADRM C[C@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@H](C)N1C(=O)[O-] ZINC000739136194 602807963 /nfs/dbraw/zinc/80/79/63/602807963.db2.gz REGGVZWFNPWPOQ-UWVGGRQHSA-N -1 0 359.408 -0.702 20 0 FBADRM C[C@@H]1CN(C(=O)COCC(=O)NCc2cccnc2)CCN1C(=O)[O-] ZINC000739136697 602931796 /nfs/dbraw/zinc/93/17/96/602931796.db2.gz SSBQPOBXHKZTIY-GFCCVEGCSA-N -1 0 350.375 -0.075 20 0 FBADRM C[C@H]1CN(C(=O)COCC(=O)NCc2cccnc2)CCN1C(=O)[O-] ZINC000739136699 602931865 /nfs/dbraw/zinc/93/18/65/602931865.db2.gz SSBQPOBXHKZTIY-LBPRGKRZSA-N -1 0 350.375 -0.075 20 0 FBADRM C[C@@H]1CN(C(=O)NCCCN(C)S(C)(=O)=O)CC[C@H]1NC(=O)[O-] ZINC000739141130 602823497 /nfs/dbraw/zinc/82/34/97/602823497.db2.gz XMGSQPSUWIAOKL-GHMZBOCLSA-N -1 0 350.441 -0.045 20 0 FBADRM C[C@@H]1CN(C(=O)NCCCN(C)S(C)(=O)=O)CC[C@@H]1NC(=O)[O-] ZINC000739141131 602823491 /nfs/dbraw/zinc/82/34/91/602823491.db2.gz XMGSQPSUWIAOKL-MNOVXSKESA-N -1 0 350.441 -0.045 20 0 FBADRM C[C@H]1CN(C(=O)NCCCN(C)S(C)(=O)=O)CC[C@@H]1NC(=O)[O-] ZINC000739141132 602823443 /nfs/dbraw/zinc/82/34/43/602823443.db2.gz XMGSQPSUWIAOKL-QWRGUYRKSA-N -1 0 350.441 -0.045 20 0 FBADRM C[C@H]1CN(C(=O)NCCCN(C)S(C)(=O)=O)CC[C@H]1NC(=O)[O-] ZINC000739141133 602823593 /nfs/dbraw/zinc/82/35/93/602823593.db2.gz XMGSQPSUWIAOKL-WDEREUQCSA-N -1 0 350.441 -0.045 20 0 FBADRM CCCCS(=O)(=O)[N-]C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000739141140 660545578 /nfs/dbraw/zinc/54/55/78/660545578.db2.gz YDCZDJQXMYRZKP-UHFFFAOYSA-N -1 0 368.415 -0.200 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000739145134 602403687 /nfs/dbraw/zinc/40/36/87/602403687.db2.gz LSEGIVSXOJWFGQ-JTQLQIEISA-N -1 0 359.346 -0.189 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000739145137 602403693 /nfs/dbraw/zinc/40/36/93/602403693.db2.gz LSEGIVSXOJWFGQ-SNVBAGLBSA-N -1 0 359.346 -0.189 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000739145948 602404542 /nfs/dbraw/zinc/40/45/42/602404542.db2.gz OJMCVFNNLAHOKK-JTQLQIEISA-N -1 0 359.346 -0.189 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000739145949 602404609 /nfs/dbraw/zinc/40/46/09/602404609.db2.gz OJMCVFNNLAHOKK-SNVBAGLBSA-N -1 0 359.346 -0.189 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000739146001 602757649 /nfs/dbraw/zinc/75/76/49/602757649.db2.gz OPUHVOHYAAOBMI-JTQLQIEISA-N -1 0 359.346 -0.189 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000739146002 602757714 /nfs/dbraw/zinc/75/77/14/602757714.db2.gz OPUHVOHYAAOBMI-SNVBAGLBSA-N -1 0 359.346 -0.189 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000739146611 602731534 /nfs/dbraw/zinc/73/15/34/602731534.db2.gz CCAWNGIOUURQRH-MRVPVSSYSA-N -1 0 364.362 -0.495 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000739146613 602731882 /nfs/dbraw/zinc/73/18/82/602731882.db2.gz CCAWNGIOUURQRH-QMMMGPOBSA-N -1 0 364.362 -0.495 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000739146861 602757751 /nfs/dbraw/zinc/75/77/51/602757751.db2.gz FVNJXYRIUCRERQ-JTQLQIEISA-N -1 0 364.358 -0.300 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000739146862 602757781 /nfs/dbraw/zinc/75/77/81/602757781.db2.gz FVNJXYRIUCRERQ-SNVBAGLBSA-N -1 0 364.358 -0.300 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000739146886 605712488 /nfs/dbraw/zinc/71/24/88/605712488.db2.gz GCFYOGWRRINPNA-SECBINFHSA-N -1 0 370.387 -0.517 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000739146888 602424487 /nfs/dbraw/zinc/42/44/87/602424487.db2.gz GCFYOGWRRINPNA-VIFPVBQESA-N -1 0 370.387 -0.517 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000739147120 602718827 /nfs/dbraw/zinc/71/88/27/602718827.db2.gz DGIIWLOLYUIGMR-LLVKDONJSA-N -1 0 356.404 -0.087 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000739147121 602718816 /nfs/dbraw/zinc/71/88/16/602718816.db2.gz DGIIWLOLYUIGMR-NSHDSACASA-N -1 0 356.404 -0.087 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCNS(=O)(=O)c1cccnc1 ZINC000739148249 602731737 /nfs/dbraw/zinc/73/17/37/602731737.db2.gz JLMKGZGTEDQVNJ-LLVKDONJSA-N -1 0 356.404 -0.039 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCNS(=O)(=O)c1cccnc1 ZINC000739148250 602731857 /nfs/dbraw/zinc/73/18/57/602731857.db2.gz JLMKGZGTEDQVNJ-NSHDSACASA-N -1 0 356.404 -0.039 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000739148747 602424665 /nfs/dbraw/zinc/42/46/65/602424665.db2.gz KJANXLXMCWUBRS-JTQLQIEISA-N -1 0 357.388 -0.077 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000739148748 602424649 /nfs/dbraw/zinc/42/46/49/602424649.db2.gz KJANXLXMCWUBRS-SNVBAGLBSA-N -1 0 357.388 -0.077 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000739149167 605705315 /nfs/dbraw/zinc/70/53/15/605705315.db2.gz MSRJOEVRSVIZHL-GRYCIOLGSA-N -1 0 373.431 -0.767 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000739149172 605705743 /nfs/dbraw/zinc/70/57/43/605705743.db2.gz MSRJOEVRSVIZHL-IJLUTSLNSA-N -1 0 373.431 -0.767 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000739149175 605705604 /nfs/dbraw/zinc/70/56/04/605705604.db2.gz MSRJOEVRSVIZHL-UTUOFQBUSA-N -1 0 373.431 -0.767 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000739149180 605705917 /nfs/dbraw/zinc/70/59/17/605705917.db2.gz MSRJOEVRSVIZHL-WOPDTQHZSA-N -1 0 373.431 -0.767 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)COCC(=O)NCc1cccnc1 ZINC000739149282 602729830 /nfs/dbraw/zinc/72/98/30/602729830.db2.gz MSOWPJGMRREZJZ-GFCCVEGCSA-N -1 0 350.375 -0.075 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)COCC(=O)NCc1cccnc1 ZINC000739149283 602729983 /nfs/dbraw/zinc/72/99/83/602729983.db2.gz MSOWPJGMRREZJZ-LBPRGKRZSA-N -1 0 350.375 -0.075 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000739149472 602715965 /nfs/dbraw/zinc/71/59/65/602715965.db2.gz NWLNFUDRYGZQHI-LLVKDONJSA-N -1 0 374.405 -0.054 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000739149478 602715977 /nfs/dbraw/zinc/71/59/77/602715977.db2.gz NWLNFUDRYGZQHI-NSHDSACASA-N -1 0 374.405 -0.054 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000739149482 602757508 /nfs/dbraw/zinc/75/75/08/602757508.db2.gz NXBFPEIWQITQKR-JTQLQIEISA-N -1 0 359.346 -0.189 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000739149484 602757469 /nfs/dbraw/zinc/75/74/69/602757469.db2.gz NXBFPEIWQITQKR-SNVBAGLBSA-N -1 0 359.346 -0.189 20 0 FBADRM NC(=O)C1(CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CCOCC1 ZINC000739149597 600311445 /nfs/dbraw/zinc/31/14/45/600311445.db2.gz UCVZQRZBTXFGEE-UHFFFAOYSA-N -1 0 367.333 -0.139 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000739149624 602731800 /nfs/dbraw/zinc/73/18/00/602731800.db2.gz OSOGZXMKWGQHTB-KBPBESRZSA-N -1 0 368.434 -0.622 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000739149627 605705863 /nfs/dbraw/zinc/70/58/63/605705863.db2.gz OSOGZXMKWGQHTB-KGLIPLIRSA-N -1 0 368.434 -0.622 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000739149631 602731813 /nfs/dbraw/zinc/73/18/13/602731813.db2.gz OSOGZXMKWGQHTB-UONOGXRCSA-N -1 0 368.434 -0.622 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000739149634 605705901 /nfs/dbraw/zinc/70/59/01/605705901.db2.gz OSOGZXMKWGQHTB-ZIAGYGMSSA-N -1 0 368.434 -0.622 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000739150253 602719839 /nfs/dbraw/zinc/71/98/39/602719839.db2.gz RYUTVOBEXOLPCA-JTQLQIEISA-N -1 0 354.388 -0.305 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000739150254 605712526 /nfs/dbraw/zinc/71/25/26/605712526.db2.gz RYUTVOBEXOLPCA-SNVBAGLBSA-N -1 0 354.388 -0.305 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000739150679 602403993 /nfs/dbraw/zinc/40/39/93/602403993.db2.gz UKECYHHXKJSAOS-JTQLQIEISA-N -1 0 364.358 -0.300 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000739150680 602403928 /nfs/dbraw/zinc/40/39/28/602403928.db2.gz UKECYHHXKJSAOS-SNVBAGLBSA-N -1 0 364.358 -0.300 20 0 FBADRM NC(=O)[C@@H]1CC(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)=NN1c1ccccc1 ZINC000739151310 600537451 /nfs/dbraw/zinc/53/74/51/600537451.db2.gz CUVVPIVEFCCICY-JTQLQIEISA-N -1 0 357.330 -0.510 20 0 FBADRM NC(=O)[C@H]1CC(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)=NN1c1ccccc1 ZINC000739151313 600537338 /nfs/dbraw/zinc/53/73/38/600537338.db2.gz CUVVPIVEFCCICY-SNVBAGLBSA-N -1 0 357.330 -0.510 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000739151321 603416743 /nfs/dbraw/zinc/41/67/43/603416743.db2.gz WMDFEOVFMWWTQX-SECBINFHSA-N -1 0 370.387 -0.517 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000739151324 603416577 /nfs/dbraw/zinc/41/65/77/603416577.db2.gz WMDFEOVFMWWTQX-VIFPVBQESA-N -1 0 370.387 -0.517 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000739151919 602730637 /nfs/dbraw/zinc/73/06/37/602730637.db2.gz GUVNGWJWSZTOJH-SECBINFHSA-N -1 0 363.374 -0.600 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000739151927 602730541 /nfs/dbraw/zinc/73/05/41/602730541.db2.gz GUVNGWJWSZTOJH-VIFPVBQESA-N -1 0 363.374 -0.600 20 0 FBADRM NC(=O)C1(CNS(=O)(=O)c2ccc(CC(=O)[O-])cc2)CCOCC1 ZINC000739151933 600647957 /nfs/dbraw/zinc/64/79/57/600647957.db2.gz FDYUMGMCJYSPRG-UHFFFAOYSA-N -1 0 356.400 -0.126 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000739151965 602757553 /nfs/dbraw/zinc/75/75/53/602757553.db2.gz ZCBVFNQPHWUKMS-SECBINFHSA-N -1 0 370.387 -0.366 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000739151970 602757534 /nfs/dbraw/zinc/75/75/34/602757534.db2.gz ZCBVFNQPHWUKMS-VIFPVBQESA-N -1 0 370.387 -0.366 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1cccnc1-n1cncn1 ZINC000739152091 603416520 /nfs/dbraw/zinc/41/65/20/603416520.db2.gz ZIBFORJRAOWNDX-JTQLQIEISA-N -1 0 359.346 -0.189 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1cccnc1-n1cncn1 ZINC000739152092 603416751 /nfs/dbraw/zinc/41/67/51/603416751.db2.gz ZIBFORJRAOWNDX-SNVBAGLBSA-N -1 0 359.346 -0.189 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000739153832 602741261 /nfs/dbraw/zinc/74/12/61/602741261.db2.gz KDJXWRQWTJLFNK-LLVKDONJSA-N -1 0 364.406 -0.492 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000739153838 602741297 /nfs/dbraw/zinc/74/12/97/602741297.db2.gz KDJXWRQWTJLFNK-NSHDSACASA-N -1 0 364.406 -0.492 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000739154167 602715993 /nfs/dbraw/zinc/71/59/93/602715993.db2.gz DNCLQBPNDJTWJC-SECBINFHSA-N -1 0 361.358 -0.544 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000739154170 602715927 /nfs/dbraw/zinc/71/59/27/602715927.db2.gz DNCLQBPNDJTWJC-VIFPVBQESA-N -1 0 361.358 -0.544 20 0 FBADRM NC(=O)[C@H]1CCCCN1C(=O)Cn1nnc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000739154357 600989489 /nfs/dbraw/zinc/98/94/89/600989489.db2.gz REEMZEDURCLUHL-GFCCVEGCSA-N -1 0 358.358 -0.095 20 0 FBADRM NC(=O)[C@@H]1CCCCN1C(=O)Cn1nnc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000739154361 600989618 /nfs/dbraw/zinc/98/96/18/600989618.db2.gz REEMZEDURCLUHL-LBPRGKRZSA-N -1 0 358.358 -0.095 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000739155252 602757269 /nfs/dbraw/zinc/75/72/69/602757269.db2.gz SJNVLMCAVHMPSX-GFCCVEGCSA-N -1 0 355.439 -0.067 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000739155255 602757131 /nfs/dbraw/zinc/75/71/31/602757131.db2.gz SJNVLMCAVHMPSX-LBPRGKRZSA-N -1 0 355.439 -0.067 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000739155807 602748563 /nfs/dbraw/zinc/74/85/63/602748563.db2.gz SQEYDKJFUWMGHD-LLVKDONJSA-N -1 0 364.424 -0.958 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000739155809 602748490 /nfs/dbraw/zinc/74/84/90/602748490.db2.gz SQEYDKJFUWMGHD-NSHDSACASA-N -1 0 364.424 -0.958 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000739155872 603049387 /nfs/dbraw/zinc/04/93/87/603049387.db2.gz TWSWEVJSNHKECH-CMPLNLGQSA-N -1 0 350.379 -0.081 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000739155873 603049960 /nfs/dbraw/zinc/04/99/60/603049960.db2.gz TWSWEVJSNHKECH-JQWIXIFHSA-N -1 0 350.379 -0.081 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000739155874 603049382 /nfs/dbraw/zinc/04/93/82/603049382.db2.gz TWSWEVJSNHKECH-PWSUYJOCSA-N -1 0 350.379 -0.081 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000739155875 603049556 /nfs/dbraw/zinc/04/95/56/603049556.db2.gz TWSWEVJSNHKECH-ZYHUDNBSSA-N -1 0 350.379 -0.081 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000739156066 602717178 /nfs/dbraw/zinc/71/71/78/602717178.db2.gz JLCNLJSLBDDCJT-SECBINFHSA-N -1 0 361.358 -0.544 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000739156070 602717211 /nfs/dbraw/zinc/71/72/11/602717211.db2.gz JLCNLJSLBDDCJT-VIFPVBQESA-N -1 0 361.358 -0.544 20 0 FBADRM NC(=O)CCN(C(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000739157554 600230837 /nfs/dbraw/zinc/23/08/37/600230837.db2.gz LWDKOUBANQDIKP-OLZOCXBDSA-N -1 0 353.350 -0.446 20 0 FBADRM NC(=O)CCOc1ccccc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000739158163 600053520 /nfs/dbraw/zinc/05/35/20/600053520.db2.gz SNMRAKSBBLZTDI-GFCCVEGCSA-N -1 0 365.342 -0.809 20 0 FBADRM NC(=O)CCOc1ccccc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000739158165 600053343 /nfs/dbraw/zinc/05/33/43/600053343.db2.gz SNMRAKSBBLZTDI-LBPRGKRZSA-N -1 0 365.342 -0.809 20 0 FBADRM NC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(CNC(=O)[O-])cc2)CCO1 ZINC000739158490 600369224 /nfs/dbraw/zinc/36/92/24/600369224.db2.gz ALQZPFFPLSVYBL-LLVKDONJSA-N -1 0 350.331 -0.895 20 0 FBADRM NC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(CNC(=O)[O-])cc2)CCO1 ZINC000739158491 600369289 /nfs/dbraw/zinc/36/92/89/600369289.db2.gz ALQZPFFPLSVYBL-NSHDSACASA-N -1 0 350.331 -0.895 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000739158644 602737968 /nfs/dbraw/zinc/73/79/68/602737968.db2.gz BWJYDZCGIGJGIJ-MRVPVSSYSA-N -1 0 351.363 -0.267 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000739158645 602738097 /nfs/dbraw/zinc/73/80/97/602738097.db2.gz BWJYDZCGIGJGIJ-QMMMGPOBSA-N -1 0 351.363 -0.267 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000739158795 602738034 /nfs/dbraw/zinc/73/80/34/602738034.db2.gz CQGFZXSJVZVRON-JTQLQIEISA-N -1 0 356.404 -0.043 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000739158797 602737994 /nfs/dbraw/zinc/73/79/94/602737994.db2.gz CQGFZXSJVZVRON-SNVBAGLBSA-N -1 0 356.404 -0.043 20 0 FBADRM NC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCO1 ZINC000739159175 600317089 /nfs/dbraw/zinc/31/70/89/600317089.db2.gz IFSNYLYAQVBDIA-JTQLQIEISA-N -1 0 355.734 -0.311 20 0 FBADRM NC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCO1 ZINC000739159177 600316996 /nfs/dbraw/zinc/31/69/96/600316996.db2.gz IFSNYLYAQVBDIA-SNVBAGLBSA-N -1 0 355.734 -0.311 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000739159307 602740432 /nfs/dbraw/zinc/74/04/32/602740432.db2.gz GRKYVIMUCZSUHF-JTQLQIEISA-N -1 0 356.404 -0.043 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000739159308 602740504 /nfs/dbraw/zinc/74/05/04/602740504.db2.gz GRKYVIMUCZSUHF-SNVBAGLBSA-N -1 0 356.404 -0.043 20 0 FBADRM NC(=O)Cn1cc(C(=O)Nc2ccc(N3CCOCC3)cc2C(=O)[O-])nn1 ZINC000739160018 601116022 /nfs/dbraw/zinc/11/60/22/601116022.db2.gz FDJKNAWHCXOHCC-UHFFFAOYSA-N -1 0 374.357 -0.450 20 0 FBADRM NC(=O)COc1cccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])c1 ZINC000739160139 600265909 /nfs/dbraw/zinc/26/59/09/600265909.db2.gz GPMMJHQJRKVVSQ-UHFFFAOYSA-N -1 0 365.386 -0.590 20 0 FBADRM NC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CCO1 ZINC000739160318 599726084 /nfs/dbraw/zinc/72/60/84/599726084.db2.gz OBNUEGDDTDLHCS-JTQLQIEISA-N -1 0 354.294 -0.433 20 0 FBADRM NC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CCO1 ZINC000739160320 599726142 /nfs/dbraw/zinc/72/61/42/599726142.db2.gz OBNUEGDDTDLHCS-SNVBAGLBSA-N -1 0 354.294 -0.433 20 0 FBADRM NC(=O)Cn1cc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])nn1 ZINC000739160670 601116038 /nfs/dbraw/zinc/11/60/38/601116038.db2.gz IYWPVDHFRZJJDM-GFCCVEGCSA-N -1 0 356.342 -0.330 20 0 FBADRM NC(=O)Cn1cc(NC(=O)C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cn1 ZINC000739161290 600118580 /nfs/dbraw/zinc/11/85/80/600118580.db2.gz OJSQGQHVSWQEBV-UHFFFAOYSA-N -1 0 357.326 -0.453 20 0 FBADRM NC(=O)CSc1ccccc1NC(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000739161812 600141689 /nfs/dbraw/zinc/14/16/89/600141689.db2.gz VCTZJSIOIPMTHD-KOLCDFICSA-N -1 0 353.400 -0.278 20 0 FBADRM NC(=O)COc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000739161824 603318983 /nfs/dbraw/zinc/31/89/83/603318983.db2.gz WBFWPKACIWEBIL-LLVKDONJSA-N -1 0 364.358 -0.252 20 0 FBADRM NC(=O)COc1cccc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000739161825 603319015 /nfs/dbraw/zinc/31/90/15/603319015.db2.gz WBFWPKACIWEBIL-NSHDSACASA-N -1 0 364.358 -0.252 20 0 FBADRM NC(=O)CSCC(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC000739162106 600483632 /nfs/dbraw/zinc/48/36/32/600483632.db2.gz XCTFFPPXMYWSFA-UHFFFAOYSA-N -1 0 361.401 -0.794 20 0 FBADRM NC(=O)Cn1cc(NC(=O)C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cn1 ZINC000739162155 600416479 /nfs/dbraw/zinc/41/64/79/600416479.db2.gz ZOOLCQHMHJIVGY-LLVKDONJSA-N -1 0 357.326 -0.478 20 0 FBADRM NC(=O)Cn1cc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cn1 ZINC000739162157 600416466 /nfs/dbraw/zinc/41/64/66/600416466.db2.gz ZOOLCQHMHJIVGY-NSHDSACASA-N -1 0 357.326 -0.478 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)o1 ZINC000739162590 601125885 /nfs/dbraw/zinc/12/58/85/601125885.db2.gz CENXYZDKEYQWFM-UHFFFAOYSA-N -1 0 367.339 -0.006 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000739162906 602737304 /nfs/dbraw/zinc/73/73/04/602737304.db2.gz YCZCNLZZMWMNOU-GFCCVEGCSA-N -1 0 364.402 -0.149 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000739162908 602737378 /nfs/dbraw/zinc/73/73/78/602737378.db2.gz YCZCNLZZMWMNOU-LBPRGKRZSA-N -1 0 364.402 -0.149 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000739162953 602742837 /nfs/dbraw/zinc/74/28/37/602742837.db2.gz MYQKGOSUEYFVOV-MRVPVSSYSA-N -1 0 368.371 -0.411 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000739162954 602742898 /nfs/dbraw/zinc/74/28/98/602742898.db2.gz MYQKGOSUEYFVOV-QMMMGPOBSA-N -1 0 368.371 -0.411 20 0 FBADRM NC(=O)CNC(=O)c1cccc(OS(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000739162993 600635498 /nfs/dbraw/zinc/63/54/98/600635498.db2.gz IRCSJVZHSQEMAX-UHFFFAOYSA-N -1 0 368.323 -0.039 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)o1 ZINC000739163023 601125466 /nfs/dbraw/zinc/12/54/66/601125466.db2.gz KQUHHMXRNUSAMA-UHFFFAOYSA-N -1 0 367.339 -0.006 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000739163087 602737803 /nfs/dbraw/zinc/73/78/03/602737803.db2.gz YGJKKEMOXOGXPB-LLVKDONJSA-N -1 0 350.441 -0.932 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000739163088 602737717 /nfs/dbraw/zinc/73/77/17/602737717.db2.gz YGJKKEMOXOGXPB-NSHDSACASA-N -1 0 350.441 -0.932 20 0 FBADRM NC(=O)CN1C[C@@H](OC(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC1=O ZINC000739163414 600243526 /nfs/dbraw/zinc/24/35/26/600243526.db2.gz REWWLSXXZYIPMW-JTQLQIEISA-N -1 0 359.338 -0.031 20 0 FBADRM NC(=O)CN1C[C@H](OC(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC1=O ZINC000739163416 600243486 /nfs/dbraw/zinc/24/34/86/600243486.db2.gz REWWLSXXZYIPMW-SNVBAGLBSA-N -1 0 359.338 -0.031 20 0 FBADRM NC(=O)COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cc1 ZINC000739163458 600264842 /nfs/dbraw/zinc/26/48/42/600264842.db2.gz SVRWEBGJTYHYIK-UHFFFAOYSA-N -1 0 365.386 -0.590 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)NC2(C(=O)[O-])CCCCC2)o1 ZINC000739163474 600659181 /nfs/dbraw/zinc/65/91/81/600659181.db2.gz TXGOPMXCABZNIA-UHFFFAOYSA-N -1 0 373.387 -0.440 20 0 FBADRM NC(=O)COc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000739163514 603315505 /nfs/dbraw/zinc/31/55/05/603315505.db2.gz UVRDVKIOGFCCQS-LLVKDONJSA-N -1 0 364.358 -0.252 20 0 FBADRM NC(=O)COc1ccc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000739163517 605686645 /nfs/dbraw/zinc/68/66/45/605686645.db2.gz UVRDVKIOGFCCQS-NSHDSACASA-N -1 0 364.358 -0.252 20 0 FBADRM NC(=O)CNC(=O)c1ccc(OS(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000739163520 600635510 /nfs/dbraw/zinc/63/55/10/600635510.db2.gz UXLQLVXJMJKHIB-UHFFFAOYSA-N -1 0 368.323 -0.039 20 0 FBADRM C[C@@H]1CN(C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)CCN1C(=O)[O-] ZINC000739163818 602921278 /nfs/dbraw/zinc/92/12/78/602921278.db2.gz HVKFMYOZVVQUEH-SECBINFHSA-N -1 0 363.374 -0.600 20 0 FBADRM C[C@H]1CN(C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)CCN1C(=O)[O-] ZINC000739163820 602921176 /nfs/dbraw/zinc/92/11/76/602921176.db2.gz HVKFMYOZVVQUEH-VIFPVBQESA-N -1 0 363.374 -0.600 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000739163915 602742888 /nfs/dbraw/zinc/74/28/88/602742888.db2.gz QZLOKMBTYPMHQF-SECBINFHSA-N -1 0 363.417 -0.293 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000739163923 602742876 /nfs/dbraw/zinc/74/28/76/602742876.db2.gz QZLOKMBTYPMHQF-VIFPVBQESA-N -1 0 363.417 -0.293 20 0 FBADRM C[C@@H]1CN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CCN1C(=O)[O-] ZINC000739164882 602936691 /nfs/dbraw/zinc/93/66/91/602936691.db2.gz DZTZIIUTGMQTCI-SECBINFHSA-N -1 0 361.358 -0.544 20 0 FBADRM C[C@H]1CN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CCN1C(=O)[O-] ZINC000739164883 602936922 /nfs/dbraw/zinc/93/69/22/602936922.db2.gz DZTZIIUTGMQTCI-VIFPVBQESA-N -1 0 361.358 -0.544 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000739165253 602742913 /nfs/dbraw/zinc/74/29/13/602742913.db2.gz ZITWMHXJBFXYFU-SECBINFHSA-N -1 0 363.417 -0.293 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000739165258 602742843 /nfs/dbraw/zinc/74/28/43/602742843.db2.gz ZITWMHXJBFXYFU-VIFPVBQESA-N -1 0 363.417 -0.293 20 0 FBADRM C[C@H]1CN(C(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)CCS1(=O)=O ZINC000739168430 602842300 /nfs/dbraw/zinc/84/23/00/602842300.db2.gz PLWUGNVMFVEWSU-JTQLQIEISA-N -1 0 371.419 -0.148 20 0 FBADRM C[C@@H]1CN(C(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)CCS1(=O)=O ZINC000739168432 602842351 /nfs/dbraw/zinc/84/23/51/602842351.db2.gz PLWUGNVMFVEWSU-SNVBAGLBSA-N -1 0 371.419 -0.148 20 0 FBADRM NC(=O)c1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])nn1-c1ccccc1 ZINC000739168602 600255803 /nfs/dbraw/zinc/25/58/03/600255803.db2.gz BLTQTVWMEADVBY-CYBMUJFWSA-N -1 0 371.353 -0.614 20 0 FBADRM NC(=O)c1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])nn1-c1ccccc1 ZINC000739168609 600255870 /nfs/dbraw/zinc/25/58/70/600255870.db2.gz BLTQTVWMEADVBY-ZDUSSCGKSA-N -1 0 371.353 -0.614 20 0 FBADRM Cc1cc(C(=O)[N-]S(=O)(=O)CC(C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000739169048 660545992 /nfs/dbraw/zinc/54/59/92/660545992.db2.gz DIQMXQKLRDBFJV-UHFFFAOYSA-N -1 0 368.415 -0.344 20 0 FBADRM NC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000739169815 600673984 /nfs/dbraw/zinc/67/39/84/600673984.db2.gz NDWMUFUCNMNUAY-LBPRGKRZSA-N -1 0 350.356 -0.427 20 0 FBADRM C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739170604 603413740 /nfs/dbraw/zinc/41/37/40/603413740.db2.gz AWCHKZXJFLAWSL-FDYHWXHSSA-N -1 0 361.464 -0.002 20 0 FBADRM C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739170607 603413481 /nfs/dbraw/zinc/41/34/81/603413481.db2.gz AWCHKZXJFLAWSL-FVCCEPFGSA-N -1 0 361.464 -0.002 20 0 FBADRM C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739170612 603413325 /nfs/dbraw/zinc/41/33/25/603413325.db2.gz AWCHKZXJFLAWSL-LPWJVIDDSA-N -1 0 361.464 -0.002 20 0 FBADRM C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739170617 603414024 /nfs/dbraw/zinc/41/40/24/603414024.db2.gz AWCHKZXJFLAWSL-NDBYEHHHSA-N -1 0 361.464 -0.002 20 0 FBADRM C[C@@H]1CN(CC(=O)NCCCN(C)S(C)(=O)=O)CCN1C(=O)[O-] ZINC000739170861 603366307 /nfs/dbraw/zinc/36/63/07/603366307.db2.gz IDVPDWLSBLOJDN-LLVKDONJSA-N -1 0 350.441 -0.932 20 0 FBADRM C[C@H]1CN(CC(=O)NCCCN(C)S(C)(=O)=O)CCN1C(=O)[O-] ZINC000739170863 603366260 /nfs/dbraw/zinc/36/62/60/603366260.db2.gz IDVPDWLSBLOJDN-NSHDSACASA-N -1 0 350.441 -0.932 20 0 FBADRM NC(=O)NCc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cc1 ZINC000739171674 600263752 /nfs/dbraw/zinc/26/37/52/600263752.db2.gz YREPQBYIZSGOQX-UHFFFAOYSA-N -1 0 364.402 -0.286 20 0 FBADRM C[C@H]1CN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H](C)N1C(=O)[O-] ZINC000739174520 602825907 /nfs/dbraw/zinc/82/59/07/602825907.db2.gz OYTQDPTVHFPQGS-KBPBESRZSA-N -1 0 369.466 -0.709 20 0 FBADRM C[C@@H]1CN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H](C)N1C(=O)[O-] ZINC000739174521 602825882 /nfs/dbraw/zinc/82/58/82/602825882.db2.gz OYTQDPTVHFPQGS-OKILXGFUSA-N -1 0 369.466 -0.709 20 0 FBADRM C[C@@H]1CN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H](C)N1C(=O)[O-] ZINC000739174522 602825718 /nfs/dbraw/zinc/82/57/18/602825718.db2.gz OYTQDPTVHFPQGS-ZIAGYGMSSA-N -1 0 369.466 -0.709 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CCN1C(=O)[O-] ZINC000739174764 602943029 /nfs/dbraw/zinc/94/30/29/602943029.db2.gz NMTGUSBOCUPIQL-SECBINFHSA-N -1 0 361.358 -0.544 20 0 FBADRM C[C@H]1CN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CCN1C(=O)[O-] ZINC000739174766 602943017 /nfs/dbraw/zinc/94/30/17/602943017.db2.gz NMTGUSBOCUPIQL-VIFPVBQESA-N -1 0 361.358 -0.544 20 0 FBADRM NC(=O)c1cc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)nn1-c1ccccc1 ZINC000739175760 600536452 /nfs/dbraw/zinc/53/64/52/600536452.db2.gz AOJWXKFTINVWPQ-UHFFFAOYSA-N -1 0 355.314 -0.031 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)NCC(=O)Nc2cccc(C(=O)[O-])c2)c[nH]1 ZINC000739175803 601125834 /nfs/dbraw/zinc/12/58/34/601125834.db2.gz BELCVEQDDIHESN-UHFFFAOYSA-N -1 0 366.355 -0.271 20 0 FBADRM NC(=O)c1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1Cl ZINC000739175907 600055886 /nfs/dbraw/zinc/05/58/86/600055886.db2.gz CSUVIXKXZJIIDF-JTQLQIEISA-N -1 0 355.734 -0.311 20 0 FBADRM NC(=O)c1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1Cl ZINC000739175910 600055800 /nfs/dbraw/zinc/05/58/00/600055800.db2.gz CSUVIXKXZJIIDF-SNVBAGLBSA-N -1 0 355.734 -0.311 20 0 FBADRM NC(=O)c1cc(C(=O)OCC(=O)NCCC(=O)[O-])nn1-c1ccccc1 ZINC000739175965 600195308 /nfs/dbraw/zinc/19/53/08/600195308.db2.gz DIMTWCQIKXJAPB-UHFFFAOYSA-N -1 0 360.326 -0.281 20 0 FBADRM C[C@H]1CN(CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H](C)N1C(=O)[O-] ZINC000739176001 602829273 /nfs/dbraw/zinc/82/92/73/602829273.db2.gz SRYPEOZRKKYRAA-RYUDHWBXSA-N -1 0 364.468 -0.543 20 0 FBADRM C[C@@H]1CN(CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H](C)N1C(=O)[O-] ZINC000739176004 602828671 /nfs/dbraw/zinc/82/86/71/602828671.db2.gz SRYPEOZRKKYRAA-TXEJJXNPSA-N -1 0 364.468 -0.543 20 0 FBADRM C[C@@H]1CN(CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H](C)N1C(=O)[O-] ZINC000739176006 602828844 /nfs/dbraw/zinc/82/88/44/602828844.db2.gz SRYPEOZRKKYRAA-VXGBXAGGSA-N -1 0 364.468 -0.543 20 0 FBADRM C[C@@H]1CN(CC(=O)NCc2ccc(OCC(N)=O)cc2)CCN1C(=O)[O-] ZINC000739177830 603363552 /nfs/dbraw/zinc/36/35/52/603363552.db2.gz WTYMDXXEYSUMOM-GFCCVEGCSA-N -1 0 364.402 -0.149 20 0 FBADRM C[C@H]1CN(CC(=O)NCc2ccc(OCC(N)=O)cc2)CCN1C(=O)[O-] ZINC000739177832 603363039 /nfs/dbraw/zinc/36/30/39/603363039.db2.gz WTYMDXXEYSUMOM-LBPRGKRZSA-N -1 0 364.402 -0.149 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)NCC(=O)NC2(C(=O)[O-])CCCCC2)c[nH]1 ZINC000739178148 600659121 /nfs/dbraw/zinc/65/91/21/600659121.db2.gz UCMZMTQSFBKALU-UHFFFAOYSA-N -1 0 372.403 -0.704 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)NCC(=O)Nc2ccc(C(=O)[O-])cc2)c[nH]1 ZINC000739178244 601125472 /nfs/dbraw/zinc/12/54/72/601125472.db2.gz WEPVPVRMWGFMBF-UHFFFAOYSA-N -1 0 366.355 -0.271 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)NCCSCC(=O)[O-])CC2)nc1 ZINC000739178256 599899520 /nfs/dbraw/zinc/89/95/20/599899520.db2.gz ULSRBMJPRZWGAT-UHFFFAOYSA-N -1 0 367.431 -0.170 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179578 602788372 /nfs/dbraw/zinc/78/83/72/602788372.db2.gz WPRVLQMKNFUCHS-BBBLOLIVSA-N -1 0 367.406 -0.785 20 0 FBADRM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179581 602788223 /nfs/dbraw/zinc/78/82/23/602788223.db2.gz WPRVLQMKNFUCHS-KXUCPTDWSA-N -1 0 367.406 -0.785 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179585 602788539 /nfs/dbraw/zinc/78/85/39/602788539.db2.gz WPRVLQMKNFUCHS-OPRDCNLKSA-N -1 0 367.406 -0.785 20 0 FBADRM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179589 602787805 /nfs/dbraw/zinc/78/78/05/602787805.db2.gz WPRVLQMKNFUCHS-UTLUCORTSA-N -1 0 367.406 -0.785 20 0 FBADRM NC(=O)c1ccc(OCC(=O)N(CCN2CCOCC2)CC(=O)[O-])cc1 ZINC000739179925 600172419 /nfs/dbraw/zinc/17/24/19/600172419.db2.gz FJBBCAXIDQALCN-UHFFFAOYSA-N -1 0 365.386 -0.590 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)N(CCN2CCOCC2)CC(=O)[O-])cc1 ZINC000739179938 600162242 /nfs/dbraw/zinc/16/22/42/600162242.db2.gz FWRDKWAOFVGGQV-UHFFFAOYSA-N -1 0 371.415 -0.807 20 0 FBADRM C[C@@H]1CN(C(C)(C)CNC(=O)CN2CCN(C(=O)[O-])CC2=O)C[C@H](C)O1 ZINC000739180175 602987741 /nfs/dbraw/zinc/98/77/41/602987741.db2.gz YFFPDPRXEQNOJD-BETUJISGSA-N -1 0 370.450 -0.187 20 0 FBADRM C[C@@H]1CN(C(C)(C)CNC(=O)CN2CCN(C(=O)[O-])CC2=O)C[C@@H](C)O1 ZINC000739180177 602987588 /nfs/dbraw/zinc/98/75/88/602987588.db2.gz YFFPDPRXEQNOJD-CHWSQXEVSA-N -1 0 370.450 -0.187 20 0 FBADRM C[C@H]1CN(C(C)(C)CNC(=O)CN2CCN(C(=O)[O-])CC2=O)C[C@H](C)O1 ZINC000739180179 602987727 /nfs/dbraw/zinc/98/77/27/602987727.db2.gz YFFPDPRXEQNOJD-STQMWFEESA-N -1 0 370.450 -0.187 20 0 FBADRM NC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1Cl ZINC000739180471 600055825 /nfs/dbraw/zinc/05/58/25/600055825.db2.gz IYWYXCFWYJAJGO-JTQLQIEISA-N -1 0 355.734 -0.311 20 0 FBADRM NC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1Cl ZINC000739180473 600055778 /nfs/dbraw/zinc/05/57/78/600055778.db2.gz IYWYXCFWYJAJGO-SNVBAGLBSA-N -1 0 355.734 -0.311 20 0 FBADRM C[C@H]1CN(CCNC(=O)N(C)CCN2CCN(C(=O)[O-])CC2)CCO1 ZINC000739180833 602627836 /nfs/dbraw/zinc/62/78/36/602627836.db2.gz GKWHNHUITZXGFI-AWEZNQCLSA-N -1 0 357.455 -0.356 20 0 FBADRM C[C@@H]1CN(CCNC(=O)N(C)CCN2CCN(C(=O)[O-])CC2)CCO1 ZINC000739180835 602627710 /nfs/dbraw/zinc/62/77/10/602627710.db2.gz GKWHNHUITZXGFI-CQSZACIVSA-N -1 0 357.455 -0.356 20 0 FBADRM C[C@@H]1CN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CCN1C(=O)[O-] ZINC000739181198 603366420 /nfs/dbraw/zinc/36/64/20/603366420.db2.gz RCYMGHORPUJVLJ-MRVPVSSYSA-N -1 0 351.363 -0.267 20 0 FBADRM C[C@H]1CN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CCN1C(=O)[O-] ZINC000739181201 603366483 /nfs/dbraw/zinc/36/64/83/603366483.db2.gz RCYMGHORPUJVLJ-QMMMGPOBSA-N -1 0 351.363 -0.267 20 0 FBADRM C[C@@H]1CN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCN1C(=O)[O-] ZINC000739181495 603366634 /nfs/dbraw/zinc/36/66/34/603366634.db2.gz JVGBAIUCISNTND-LLVKDONJSA-N -1 0 364.406 -0.492 20 0 FBADRM C[C@H]1CN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCN1C(=O)[O-] ZINC000739181497 603366465 /nfs/dbraw/zinc/36/64/65/603366465.db2.gz JVGBAIUCISNTND-NSHDSACASA-N -1 0 364.406 -0.492 20 0 FBADRM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)COCCNC(=O)[O-] ZINC000739181574 602666549 /nfs/dbraw/zinc/66/65/49/602666549.db2.gz SFMYTYAFRXNASJ-KBPBESRZSA-N -1 0 358.439 -0.866 20 0 FBADRM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)COCCNC(=O)[O-] ZINC000739181575 602666582 /nfs/dbraw/zinc/66/65/82/602666582.db2.gz SFMYTYAFRXNASJ-KGLIPLIRSA-N -1 0 358.439 -0.866 20 0 FBADRM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)COCCNC(=O)[O-] ZINC000739181577 602666499 /nfs/dbraw/zinc/66/64/99/602666499.db2.gz SFMYTYAFRXNASJ-UONOGXRCSA-N -1 0 358.439 -0.866 20 0 FBADRM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)COCCNC(=O)[O-] ZINC000739181578 602666604 /nfs/dbraw/zinc/66/66/04/602666604.db2.gz SFMYTYAFRXNASJ-ZIAGYGMSSA-N -1 0 358.439 -0.866 20 0 FBADRM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739181587 603302634 /nfs/dbraw/zinc/30/26/34/603302634.db2.gz SHIWZDCKMQFUCS-ILXRZTDVSA-N -1 0 354.451 -0.150 20 0 FBADRM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739181590 603302858 /nfs/dbraw/zinc/30/28/58/603302858.db2.gz SHIWZDCKMQFUCS-KFWWJZLASA-N -1 0 354.451 -0.150 20 0 FBADRM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739181592 603303134 /nfs/dbraw/zinc/30/31/34/603303134.db2.gz SHIWZDCKMQFUCS-QLFBSQMISA-N -1 0 354.451 -0.150 20 0 FBADRM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739181594 603303056 /nfs/dbraw/zinc/30/30/56/603303056.db2.gz SHIWZDCKMQFUCS-RBSFLKMASA-N -1 0 354.451 -0.150 20 0 FBADRM NC(=O)c1ccccc1NC(=O)CN(CCN1CCOCC1)CC(=O)[O-] ZINC000739181975 600146402 /nfs/dbraw/zinc/14/64/02/600146402.db2.gz AHUOYFJCWQYYGW-UHFFFAOYSA-N -1 0 364.402 -0.557 20 0 FBADRM C[C@H]1CN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CCN1C(=O)[O-] ZINC000739182208 603366694 /nfs/dbraw/zinc/36/66/94/603366694.db2.gz VUENSSYVEOGOAD-JTQLQIEISA-N -1 0 356.404 -0.043 20 0 FBADRM C[C@@H]1CN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CCN1C(=O)[O-] ZINC000739182209 603366675 /nfs/dbraw/zinc/36/66/75/603366675.db2.gz VUENSSYVEOGOAD-SNVBAGLBSA-N -1 0 356.404 -0.043 20 0 FBADRM C[C@H]1CN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)CCN1C(=O)[O-] ZINC000739182340 603353474 /nfs/dbraw/zinc/35/34/74/603353474.db2.gz WZJWURNBRHDZNK-JTQLQIEISA-N -1 0 356.404 -0.043 20 0 FBADRM C[C@@H]1CN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)CCN1C(=O)[O-] ZINC000739182342 603353510 /nfs/dbraw/zinc/35/35/10/603353510.db2.gz WZJWURNBRHDZNK-SNVBAGLBSA-N -1 0 356.404 -0.043 20 0 FBADRM C[C@H]1CN(CCNC(=O)NCCCN2CCN(C(=O)[O-])CC2)CCO1 ZINC000739183710 602154603 /nfs/dbraw/zinc/15/46/03/602154603.db2.gz SNKZLFNUOFFNJW-AWEZNQCLSA-N -1 0 357.455 -0.308 20 0 FBADRM C[C@@H]1CN(CCNC(=O)NCCCN2CCN(C(=O)[O-])CC2)CCO1 ZINC000739183712 602154565 /nfs/dbraw/zinc/15/45/65/602154565.db2.gz SNKZLFNUOFFNJW-CQSZACIVSA-N -1 0 357.455 -0.308 20 0 FBADRM C[C@H]1CN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CCN1C(=O)[O-] ZINC000739184028 603352214 /nfs/dbraw/zinc/35/22/14/603352214.db2.gz IYOBYALNCCRNIO-JTQLQIEISA-N -1 0 350.379 -0.882 20 0 FBADRM C[C@@H]1CN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CCN1C(=O)[O-] ZINC000739184029 603352312 /nfs/dbraw/zinc/35/23/12/603352312.db2.gz IYOBYALNCCRNIO-SNVBAGLBSA-N -1 0 350.379 -0.882 20 0 FBADRM C[C@H]1CN(CCNC(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)CCO1 ZINC000739184163 602092606 /nfs/dbraw/zinc/09/26/06/602092606.db2.gz VJYNEGAGQSPLMF-JTQLQIEISA-N -1 0 351.363 -0.053 20 0 FBADRM C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)CCO1 ZINC000739184165 602092911 /nfs/dbraw/zinc/09/29/11/602092911.db2.gz VJYNEGAGQSPLMF-SNVBAGLBSA-N -1 0 351.363 -0.053 20 0 FBADRM C[C@H]1CN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)CCS1(=O)=O ZINC000739185670 603050708 /nfs/dbraw/zinc/05/07/08/603050708.db2.gz QHPRHGNQJCCHSE-JTQLQIEISA-N -1 0 374.419 -0.873 20 0 FBADRM C[C@@H]1CN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)CCS1(=O)=O ZINC000739185672 603050768 /nfs/dbraw/zinc/05/07/68/603050768.db2.gz QHPRHGNQJCCHSE-SNVBAGLBSA-N -1 0 374.419 -0.873 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[C@@H]2C(=O)[O-])cc1 ZINC000739188129 600391787 /nfs/dbraw/zinc/39/17/87/600391787.db2.gz CSKWVRSNFWHNJS-CYBMUJFWSA-N -1 0 355.416 -0.458 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[C@H]2C(=O)[O-])cc1 ZINC000739188132 600391573 /nfs/dbraw/zinc/39/15/73/600391573.db2.gz CSKWVRSNFWHNJS-ZDUSSCGKSA-N -1 0 355.416 -0.458 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccn(CC(=O)[O-])n2)cc1 ZINC000739188316 600570991 /nfs/dbraw/zinc/57/09/91/600570991.db2.gz GUXUIMRMXONCGM-UHFFFAOYSA-N -1 0 367.387 -0.021 20 0 FBADRM Cc1cc(C(=O)[N-]S(=O)(=O)CC2CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000739188357 660545951 /nfs/dbraw/zinc/54/59/51/660545951.db2.gz RYCJRDGBMUQIIQ-UHFFFAOYSA-N -1 0 366.399 -0.590 20 0 FBADRM C[C@H]1COCCN1CCNC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739188495 602619524 /nfs/dbraw/zinc/61/95/24/602619524.db2.gz KJTGBCMKFZGBFV-AWEZNQCLSA-N -1 0 357.455 -0.308 20 0 FBADRM C[C@@H]1COCCN1CCNC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739188500 602619551 /nfs/dbraw/zinc/61/95/51/602619551.db2.gz KJTGBCMKFZGBFV-CQSZACIVSA-N -1 0 357.455 -0.308 20 0 FBADRM C[C@@H]1CN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H](C)N1C(=O)[O-] ZINC000739188563 602825922 /nfs/dbraw/zinc/82/59/22/602825922.db2.gz YILITXLQTRBVGF-GHMZBOCLSA-N -1 0 364.406 -0.494 20 0 FBADRM C[C@@H]1CN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H](C)N1C(=O)[O-] ZINC000739188580 602826016 /nfs/dbraw/zinc/82/60/16/602826016.db2.gz YILITXLQTRBVGF-PHIMTYICSA-N -1 0 364.406 -0.494 20 0 FBADRM C[C@H]1CN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H](C)N1C(=O)[O-] ZINC000739188587 602825861 /nfs/dbraw/zinc/82/58/61/602825861.db2.gz YILITXLQTRBVGF-QWRGUYRKSA-N -1 0 364.406 -0.494 20 0 FBADRM NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000739188890 600310040 /nfs/dbraw/zinc/31/00/40/600310040.db2.gz GEDPTYJGJWNFAT-SSDOTTSWSA-N -1 0 359.335 -0.655 20 0 FBADRM NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000739188892 600310088 /nfs/dbraw/zinc/31/00/88/600310088.db2.gz GEDPTYJGJWNFAT-ZETCQYMHSA-N -1 0 359.335 -0.655 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)Nc2nnc(CCC(=O)[O-])s2)CC1 ZINC000739188916 600203869 /nfs/dbraw/zinc/20/38/69/600203869.db2.gz GUJXRJXQIDUGRT-UHFFFAOYSA-N -1 0 363.421 -0.591 20 0 FBADRM NS(=O)(=O)c1ccc(CCC(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1 ZINC000739189261 600180351 /nfs/dbraw/zinc/18/03/51/600180351.db2.gz MCYKHEDKGPHEMX-UHFFFAOYSA-N -1 0 353.360 -0.350 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)C[C@H](C)N1C(=O)[O-] ZINC000739189445 602870381 /nfs/dbraw/zinc/87/03/81/602870381.db2.gz HFXUDEBTUGVKAW-AOOOYVTPSA-N -1 0 354.450 -0.034 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)C[C@@H](C)N1C(=O)[O-] ZINC000739189448 602870552 /nfs/dbraw/zinc/87/05/52/602870552.db2.gz HFXUDEBTUGVKAW-NXEZZACHSA-N -1 0 354.450 -0.034 20 0 FBADRM C[C@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)C[C@H](C)N1C(=O)[O-] ZINC000739189451 602870522 /nfs/dbraw/zinc/87/05/22/602870522.db2.gz HFXUDEBTUGVKAW-UWVGGRQHSA-N -1 0 354.450 -0.034 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000739190019 599700888 /nfs/dbraw/zinc/70/08/88/599700888.db2.gz PZIGSPXGUGMOPN-NEPJUHHUSA-N -1 0 370.383 -0.743 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000739190022 599700895 /nfs/dbraw/zinc/70/08/95/599700895.db2.gz PZIGSPXGUGMOPN-NWDGAFQWSA-N -1 0 370.383 -0.743 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000739190023 599700868 /nfs/dbraw/zinc/70/08/68/599700868.db2.gz PZIGSPXGUGMOPN-RYUDHWBXSA-N -1 0 370.383 -0.743 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000739190026 599700876 /nfs/dbraw/zinc/70/08/76/599700876.db2.gz PZIGSPXGUGMOPN-VXGBXAGGSA-N -1 0 370.383 -0.743 20 0 FBADRM NS(=O)(=O)NC[C@H]1CCCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000739190064 599963517 /nfs/dbraw/zinc/96/35/17/599963517.db2.gz MMHFDGLGZBBBHZ-LLVKDONJSA-N -1 0 370.431 -0.172 20 0 FBADRM NS(=O)(=O)NC[C@@H]1CCCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000739190066 599963599 /nfs/dbraw/zinc/96/35/99/599963599.db2.gz MMHFDGLGZBBBHZ-NSHDSACASA-N -1 0 370.431 -0.172 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)OCC(=O)NCCC(=O)[O-])cc1Cl ZINC000739190196 599752253 /nfs/dbraw/zinc/75/22/53/599752253.db2.gz SDBOTMLHLDQBMN-UHFFFAOYSA-N -1 0 364.763 -0.265 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)OCC(=O)NCC(=O)[O-])cc1Cl ZINC000739190270 599752271 /nfs/dbraw/zinc/75/22/71/599752271.db2.gz TYKKXMMDPIRDNH-UHFFFAOYSA-N -1 0 350.736 -0.655 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)NCCOc2ccc(C(=O)[O-])cc2)CC1 ZINC000739191024 599920992 /nfs/dbraw/zinc/92/09/92/599920992.db2.gz CJSWPQAEHAHTBL-UHFFFAOYSA-N -1 0 371.415 -0.205 20 0 FBADRM NS(=O)(=O)CCCNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000739191187 600339485 /nfs/dbraw/zinc/33/94/85/600339485.db2.gz FAYKGPINPJQHCT-UHFFFAOYSA-N -1 0 363.779 -0.229 20 0 FBADRM C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739191682 602662246 /nfs/dbraw/zinc/66/22/46/602662246.db2.gz SEVVCIBXJJNCQL-JTQLQIEISA-N -1 0 351.363 -0.053 20 0 FBADRM C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739191686 602662336 /nfs/dbraw/zinc/66/23/36/602662336.db2.gz SEVVCIBXJJNCQL-SNVBAGLBSA-N -1 0 351.363 -0.053 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC1 ZINC000739191735 600250233 /nfs/dbraw/zinc/25/02/33/600250233.db2.gz WNZKBDIRSUNWNC-UHFFFAOYSA-N -1 0 366.399 -0.313 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)CC1 ZINC000739192536 600501243 /nfs/dbraw/zinc/50/12/43/600501243.db2.gz KNUHARSAORKJSS-GFCCVEGCSA-N -1 0 363.436 -0.616 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)CC1 ZINC000739192537 600501285 /nfs/dbraw/zinc/50/12/85/600501285.db2.gz KNUHARSAORKJSS-LBPRGKRZSA-N -1 0 363.436 -0.616 20 0 FBADRM NS(=O)(=O)CCCNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000739192577 600339351 /nfs/dbraw/zinc/33/93/51/600339351.db2.gz MATOGGCMYJXMLM-UHFFFAOYSA-N -1 0 357.388 -0.563 20 0 FBADRM C[C@H]1CS(=O)(=O)CCN1CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739192585 603051495 /nfs/dbraw/zinc/05/14/95/603051495.db2.gz VFYPTLIDQKQJPS-JTQLQIEISA-N -1 0 374.419 -0.873 20 0 FBADRM C[C@@H]1CS(=O)(=O)CCN1CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739192589 603051430 /nfs/dbraw/zinc/05/14/30/603051430.db2.gz VFYPTLIDQKQJPS-SNVBAGLBSA-N -1 0 374.419 -0.873 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN(CC(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC000739192616 600442518 /nfs/dbraw/zinc/44/25/18/600442518.db2.gz MJNQPJPJZHMMGZ-GFCCVEGCSA-N -1 0 361.464 -0.109 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN(CC(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC000739192619 600442703 /nfs/dbraw/zinc/44/27/03/600442703.db2.gz MJNQPJPJZHMMGZ-LBPRGKRZSA-N -1 0 361.464 -0.109 20 0 FBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739192673 603056544 /nfs/dbraw/zinc/05/65/44/603056544.db2.gz VTOOLQRCKXKTNL-JTQLQIEISA-N -1 0 371.419 -0.148 20 0 FBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739192676 603056268 /nfs/dbraw/zinc/05/62/68/603056268.db2.gz VTOOLQRCKXKTNL-SNVBAGLBSA-N -1 0 371.419 -0.148 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)CC1 ZINC000739192711 599912289 /nfs/dbraw/zinc/91/22/89/599912289.db2.gz ONKDMOWASVARCX-CYBMUJFWSA-N -1 0 369.399 -0.219 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)CC1 ZINC000739193229 599912134 /nfs/dbraw/zinc/91/21/34/599912134.db2.gz ONKDMOWASVARCX-ZDUSSCGKSA-N -1 0 369.399 -0.219 20 0 FBADRM NS(=O)(=O)CCCNC(=O)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000739193263 600339453 /nfs/dbraw/zinc/33/94/53/600339453.db2.gz PJVOZEGLERIUSX-UHFFFAOYSA-N -1 0 365.314 -0.604 20 0 FBADRM NS(=O)(=O)CCCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000739193282 600339467 /nfs/dbraw/zinc/33/94/67/600339467.db2.gz PRWMJZHZYSVJNU-UHFFFAOYSA-N -1 0 363.779 -0.229 20 0 FBADRM C[C@H]1COCCN1CCNC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739193370 602634336 /nfs/dbraw/zinc/63/43/36/602634336.db2.gz YXHCAFJFXVEGCS-AWEZNQCLSA-N -1 0 357.455 -0.356 20 0 FBADRM C[C@@H]1COCCN1CCNC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739193372 602634261 /nfs/dbraw/zinc/63/42/61/602634261.db2.gz YXHCAFJFXVEGCS-CQSZACIVSA-N -1 0 357.455 -0.356 20 0 FBADRM C[C@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC[C@H]1NC(=O)[O-] ZINC000739193939 602804250 /nfs/dbraw/zinc/80/42/50/602804250.db2.gz PZFQKXWFCSBFKR-GXSJLCMTSA-N -1 0 354.450 -0.129 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739193940 602804300 /nfs/dbraw/zinc/80/43/00/602804300.db2.gz PZFQKXWFCSBFKR-KOLCDFICSA-N -1 0 354.450 -0.129 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC[C@H]1NC(=O)[O-] ZINC000739193941 602804259 /nfs/dbraw/zinc/80/42/59/602804259.db2.gz PZFQKXWFCSBFKR-MWLCHTKSSA-N -1 0 354.450 -0.129 20 0 FBADRM C[C@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739193942 602804264 /nfs/dbraw/zinc/80/42/64/602804264.db2.gz PZFQKXWFCSBFKR-ONGXEEELSA-N -1 0 354.450 -0.129 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)NCc2cccc(OCC(=O)[O-])c2)CC1 ZINC000739194012 600620138 /nfs/dbraw/zinc/62/01/38/600620138.db2.gz WSELCRWRLABRHP-UHFFFAOYSA-N -1 0 371.415 -0.318 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)N2CCSC[C@@H]2CC(=O)[O-])CC1 ZINC000739194041 600697587 /nfs/dbraw/zinc/69/75/87/600697587.db2.gz XNIMTQZMPPKSDN-JTQLQIEISA-N -1 0 351.450 -0.679 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)N2CCSC[C@H]2CC(=O)[O-])CC1 ZINC000739194043 600697681 /nfs/dbraw/zinc/69/76/81/600697681.db2.gz XNIMTQZMPPKSDN-SNVBAGLBSA-N -1 0 351.450 -0.679 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000739194071 600797295 /nfs/dbraw/zinc/79/72/95/600797295.db2.gz YCTQJUWCFPXHAS-MRVPVSSYSA-N -1 0 352.390 -0.333 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000739194073 600797372 /nfs/dbraw/zinc/79/73/72/600797372.db2.gz YCTQJUWCFPXHAS-QMMMGPOBSA-N -1 0 352.390 -0.333 20 0 FBADRM C[C@@H]1CN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC[C@@H]1NC(=O)[O-] ZINC000739194301 602775400 /nfs/dbraw/zinc/77/54/00/602775400.db2.gz VYXXZNWKCDXWKQ-BDAKNGLRSA-N -1 0 350.379 -0.562 20 0 FBADRM C[C@H]1CN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC[C@H]1NC(=O)[O-] ZINC000739194305 602775343 /nfs/dbraw/zinc/77/53/43/602775343.db2.gz VYXXZNWKCDXWKQ-DTWKUNHWSA-N -1 0 350.379 -0.562 20 0 FBADRM C[C@H]1CN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC[C@@H]1NC(=O)[O-] ZINC000739194309 602775279 /nfs/dbraw/zinc/77/52/79/602775279.db2.gz VYXXZNWKCDXWKQ-IUCAKERBSA-N -1 0 350.379 -0.562 20 0 FBADRM C[C@@H]1CN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC[C@H]1NC(=O)[O-] ZINC000739194312 602775308 /nfs/dbraw/zinc/77/53/08/602775308.db2.gz VYXXZNWKCDXWKQ-RKDXNWHRSA-N -1 0 350.379 -0.562 20 0 FBADRM C[C@@H]1CN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@H](C)N1C(=O)[O-] ZINC000739194316 602832736 /nfs/dbraw/zinc/83/27/36/602832736.db2.gz VYZVDEKXFCPRGQ-DTORHVGOSA-N -1 0 350.379 -0.467 20 0 FBADRM C[C@H]1CN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@H](C)N1C(=O)[O-] ZINC000739194320 602833077 /nfs/dbraw/zinc/83/30/77/602833077.db2.gz VYZVDEKXFCPRGQ-IUCAKERBSA-N -1 0 350.379 -0.467 20 0 FBADRM C[C@@H]1CN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@@H](C)N1C(=O)[O-] ZINC000739194324 602832945 /nfs/dbraw/zinc/83/29/45/602832945.db2.gz VYZVDEKXFCPRGQ-RKDXNWHRSA-N -1 0 350.379 -0.467 20 0 FBADRM CCCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000739194788 660545969 /nfs/dbraw/zinc/54/59/69/660545969.db2.gz CHQQTCJFUUXAGY-UHFFFAOYSA-N -1 0 366.417 -0.230 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N(C)CCN2CCN(C(=O)[O-])CC2)C[C@H](C)O1 ZINC000739195687 602550701 /nfs/dbraw/zinc/55/07/01/602550701.db2.gz UXLRZCLVZZTUIV-BETUJISGSA-N -1 0 364.468 -0.432 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N(C)CCN2CCN(C(=O)[O-])CC2)C[C@@H](C)O1 ZINC000739195691 602550651 /nfs/dbraw/zinc/55/06/51/602550651.db2.gz UXLRZCLVZZTUIV-CHWSQXEVSA-N -1 0 364.468 -0.432 20 0 FBADRM C[C@H]1CN(S(=O)(=O)N(C)CCN2CCN(C(=O)[O-])CC2)C[C@H](C)O1 ZINC000739195695 602550707 /nfs/dbraw/zinc/55/07/07/602550707.db2.gz UXLRZCLVZZTUIV-STQMWFEESA-N -1 0 364.468 -0.432 20 0 FBADRM CCCS(=O)(=O)[N-]C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000739196467 660545988 /nfs/dbraw/zinc/54/59/88/660545988.db2.gz VBANNJQMTVMSLA-UHFFFAOYSA-N -1 0 359.429 -0.077 20 0 FBADRM NS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000739197022 600072367 /nfs/dbraw/zinc/07/23/67/600072367.db2.gz DBJIJMCTZQECNH-OLZOCXBDSA-N -1 0 353.400 -0.297 20 0 FBADRM NS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)cc1 ZINC000739197023 600072345 /nfs/dbraw/zinc/07/23/45/600072345.db2.gz DBJIJMCTZQECNH-QWHCGFSZSA-N -1 0 353.400 -0.297 20 0 FBADRM NS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000739197024 600072178 /nfs/dbraw/zinc/07/21/78/600072178.db2.gz DBJIJMCTZQECNH-STQMWFEESA-N -1 0 353.400 -0.297 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000739197034 603274464 /nfs/dbraw/zinc/27/44/64/603274464.db2.gz DUNJIMBUQZEJGU-JTQLQIEISA-N -1 0 370.387 -0.469 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000739197035 603274499 /nfs/dbraw/zinc/27/44/99/603274499.db2.gz DUNJIMBUQZEJGU-SNVBAGLBSA-N -1 0 370.387 -0.469 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000739197043 600037774 /nfs/dbraw/zinc/03/77/74/600037774.db2.gz FEBZOMHMLVQIQN-SECBINFHSA-N -1 0 355.372 -0.404 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000739197044 600037606 /nfs/dbraw/zinc/03/76/06/600037606.db2.gz FEBZOMHMLVQIQN-VIFPVBQESA-N -1 0 355.372 -0.404 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000739197176 603112068 /nfs/dbraw/zinc/11/20/68/603112068.db2.gz HSHQACJPGAQISD-GHMZBOCLSA-N -1 0 363.436 -0.016 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000739197177 603112214 /nfs/dbraw/zinc/11/22/14/603112214.db2.gz HSHQACJPGAQISD-MNOVXSKESA-N -1 0 363.436 -0.016 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000739197178 603112188 /nfs/dbraw/zinc/11/21/88/603112188.db2.gz HSHQACJPGAQISD-QWRGUYRKSA-N -1 0 363.436 -0.016 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000739197179 603112074 /nfs/dbraw/zinc/11/20/74/603112074.db2.gz HSHQACJPGAQISD-WDEREUQCSA-N -1 0 363.436 -0.016 20 0 FBADRM NS(=O)(=O)c1ccc(OCC(=O)Nc2ccn(CC(=O)[O-])n2)cc1 ZINC000739197465 599782714 /nfs/dbraw/zinc/78/27/14/599782714.db2.gz HUOUCAGTCHVSBO-UHFFFAOYSA-N -1 0 354.344 -0.367 20 0 FBADRM NS(=O)(=O)c1ccc(OCC(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000739197528 603274441 /nfs/dbraw/zinc/27/44/41/603274441.db2.gz IWEPSVQFMVJTLC-JTQLQIEISA-N -1 0 357.388 -0.029 20 0 FBADRM NS(=O)(=O)c1ccc(OCC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000739197531 603274563 /nfs/dbraw/zinc/27/45/63/603274563.db2.gz IWEPSVQFMVJTLC-SNVBAGLBSA-N -1 0 357.388 -0.029 20 0 FBADRM NS(=O)(=O)c1ccc(N2CCN(C(=O)CCNC(=O)[O-])CC2)cc1 ZINC000739197656 599721312 /nfs/dbraw/zinc/72/13/12/599721312.db2.gz MBKONCHPHZQVOD-UHFFFAOYSA-N -1 0 356.404 -0.360 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)COC(=O)CCCNC(=O)[O-])cc1 ZINC000739198473 600199168 /nfs/dbraw/zinc/19/91/68/600199168.db2.gz WQXQULOEVROXBZ-UHFFFAOYSA-N -1 0 359.360 -0.137 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000739199179 603108854 /nfs/dbraw/zinc/10/88/54/603108854.db2.gz FPSMXWKKAXTDLV-BXUZGUMPSA-N -1 0 368.434 -0.087 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000739199182 603108755 /nfs/dbraw/zinc/10/87/55/603108755.db2.gz FPSMXWKKAXTDLV-FZMZJTMJSA-N -1 0 368.434 -0.087 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000739199185 603108885 /nfs/dbraw/zinc/10/88/85/603108885.db2.gz FPSMXWKKAXTDLV-RISCZKNCSA-N -1 0 368.434 -0.087 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000739199188 603108624 /nfs/dbraw/zinc/10/86/24/603108624.db2.gz FPSMXWKKAXTDLV-SMDDNHRTSA-N -1 0 368.434 -0.087 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000739199957 603422140 /nfs/dbraw/zinc/42/21/40/603422140.db2.gz ATTSJNQIKKWMCM-JTQLQIEISA-N -1 0 370.387 -0.469 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000739199958 603422013 /nfs/dbraw/zinc/42/20/13/603422013.db2.gz ATTSJNQIKKWMCM-SNVBAGLBSA-N -1 0 370.387 -0.469 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)NCCOc2ccc(C(=O)[O-])cc2)c1 ZINC000739199984 599951260 /nfs/dbraw/zinc/95/12/60/599951260.db2.gz BZPREWHKMONRJK-UHFFFAOYSA-N -1 0 368.371 -0.576 20 0 FBADRM NS(=O)(=O)c1ccccc1NC(=O)COC(=O)CCCNC(=O)[O-] ZINC000739200069 600196784 /nfs/dbraw/zinc/19/67/84/600196784.db2.gz DVQJCYKRXHECQM-UHFFFAOYSA-N -1 0 359.360 -0.137 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000739200078 599861633 /nfs/dbraw/zinc/86/16/33/599861633.db2.gz FDNYUCPDYOALOZ-GFCCVEGCSA-N -1 0 352.372 -0.657 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000739200084 599861718 /nfs/dbraw/zinc/86/17/18/599861718.db2.gz FDNYUCPDYOALOZ-LBPRGKRZSA-N -1 0 352.372 -0.657 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000739200091 600365838 /nfs/dbraw/zinc/36/58/38/600365838.db2.gz FHMPEFMLNKQSJU-LLVKDONJSA-N -1 0 350.356 -0.255 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000739200092 600365873 /nfs/dbraw/zinc/36/58/73/600365873.db2.gz FHMPEFMLNKQSJU-NSHDSACASA-N -1 0 350.356 -0.255 20 0 FBADRM CCCS(=O)(=O)[N-]C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000739200099 660545999 /nfs/dbraw/zinc/54/59/99/660545999.db2.gz AWISIMFONSVQIQ-UHFFFAOYSA-N -1 0 354.388 -0.590 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)COC(=O)CCCNC(=O)[O-])c1 ZINC000739200663 600195960 /nfs/dbraw/zinc/19/59/60/600195960.db2.gz HBABKCAYTUISTE-UHFFFAOYSA-N -1 0 359.360 -0.137 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000739200672 603238501 /nfs/dbraw/zinc/23/85/01/603238501.db2.gz HNGBQVKFDVCRBJ-SECBINFHSA-N -1 0 363.417 -0.245 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000739200673 603238594 /nfs/dbraw/zinc/23/85/94/603238594.db2.gz HNGBQVKFDVCRBJ-VIFPVBQESA-N -1 0 363.417 -0.245 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)OCC(=O)c2cc(C(=O)[O-])co2)c1 ZINC000739200728 600143263 /nfs/dbraw/zinc/14/32/63/600143263.db2.gz KODZWRZXEJPQEA-UHFFFAOYSA-N -1 0 371.327 -0.362 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)N[C@@H](C(=O)[O-])c2cccs2)c1 ZINC000739200739 599770463 /nfs/dbraw/zinc/77/04/63/599770463.db2.gz LCCNVFBTAKRXRR-LLVKDONJSA-N -1 0 358.401 -0.076 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)N[C@H](C(=O)[O-])c2cccs2)c1 ZINC000739200740 599770536 /nfs/dbraw/zinc/77/05/36/599770536.db2.gz LCCNVFBTAKRXRR-NSHDSACASA-N -1 0 358.401 -0.076 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000739200741 600104256 /nfs/dbraw/zinc/10/42/56/600104256.db2.gz LCXSNXXYHCLHGO-UHFFFAOYSA-N -1 0 350.356 -0.229 20 0 FBADRM CCCS(=O)(=O)[N-]C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000739200841 660545998 /nfs/dbraw/zinc/54/59/98/660545998.db2.gz JHBWORKLWRPFDF-UHFFFAOYSA-N -1 0 365.411 -0.086 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)Cn1ncn2nccc2c1=O ZINC000739200962 603221836 /nfs/dbraw/zinc/22/18/36/603221836.db2.gz BTYDXONHNPWDMI-GXSJLCMTSA-N -1 0 364.362 -0.489 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)Cn1ncn2nccc2c1=O ZINC000739200965 603221971 /nfs/dbraw/zinc/22/19/71/603221971.db2.gz BTYDXONHNPWDMI-KOLCDFICSA-N -1 0 364.362 -0.489 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)Cn1ncn2nccc2c1=O ZINC000739200968 603222068 /nfs/dbraw/zinc/22/20/68/603222068.db2.gz BTYDXONHNPWDMI-MWLCHTKSSA-N -1 0 364.362 -0.489 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)Cn1ncn2nccc2c1=O ZINC000739200971 603222061 /nfs/dbraw/zinc/22/20/61/603222061.db2.gz BTYDXONHNPWDMI-ONGXEEELSA-N -1 0 364.362 -0.489 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000739201255 600174058 /nfs/dbraw/zinc/17/40/58/600174058.db2.gz MHNWQAIVZSRSLW-GHMZBOCLSA-N -1 0 368.367 -0.513 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000739201256 600174064 /nfs/dbraw/zinc/17/40/64/600174064.db2.gz MHNWQAIVZSRSLW-MNOVXSKESA-N -1 0 368.367 -0.513 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000739201257 600174128 /nfs/dbraw/zinc/17/41/28/600174128.db2.gz MHNWQAIVZSRSLW-QWRGUYRKSA-N -1 0 368.367 -0.513 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000739201258 600174109 /nfs/dbraw/zinc/17/41/09/600174109.db2.gz MHNWQAIVZSRSLW-WDEREUQCSA-N -1 0 368.367 -0.513 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COC(=O)CCNC(=O)[O-] ZINC000739201266 600202627 /nfs/dbraw/zinc/20/26/27/600202627.db2.gz NALRTYSHZBPLQS-UHFFFAOYSA-N -1 0 371.371 -0.576 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)OCC(=O)c2cc(C(=O)[O-])co2)c1 ZINC000739201316 600143226 /nfs/dbraw/zinc/14/32/26/600143226.db2.gz PQYDBNKBJCCGPM-UHFFFAOYSA-N -1 0 357.300 -0.752 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)c1 ZINC000739201326 599877110 /nfs/dbraw/zinc/87/71/10/599877110.db2.gz PVZLXPMGFXBQND-UHFFFAOYSA-N -1 0 364.343 -0.256 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000739201340 603241857 /nfs/dbraw/zinc/24/18/57/603241857.db2.gz RAPFBHOIPBJFFT-SECBINFHSA-N -1 0 363.417 -0.245 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000739201341 603241881 /nfs/dbraw/zinc/24/18/81/603241881.db2.gz RAPFBHOIPBJFFT-VIFPVBQESA-N -1 0 363.417 -0.245 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000739201495 603219021 /nfs/dbraw/zinc/21/90/21/603219021.db2.gz CYBCMERGENQSJL-BDAKNGLRSA-N -1 0 356.379 -0.064 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000739201498 603219035 /nfs/dbraw/zinc/21/90/35/603219035.db2.gz CYBCMERGENQSJL-DTWKUNHWSA-N -1 0 356.379 -0.064 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000739201501 603218922 /nfs/dbraw/zinc/21/89/22/603218922.db2.gz CYBCMERGENQSJL-IUCAKERBSA-N -1 0 356.379 -0.064 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000739201505 603219036 /nfs/dbraw/zinc/21/90/36/603219036.db2.gz CYBCMERGENQSJL-RKDXNWHRSA-N -1 0 356.379 -0.064 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)c1 ZINC000739201888 600501073 /nfs/dbraw/zinc/50/10/73/600501073.db2.gz UKZBFWLSFRKRQM-LLVKDONJSA-N -1 0 374.419 -0.597 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)c1 ZINC000739201889 600501266 /nfs/dbraw/zinc/50/12/66/600501266.db2.gz UKZBFWLSFRKRQM-NSHDSACASA-N -1 0 374.419 -0.597 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)N2CCSC[C@H]2CC(=O)[O-])c1 ZINC000739201894 600697661 /nfs/dbraw/zinc/69/76/61/600697661.db2.gz URWUQRXIYURLBO-SECBINFHSA-N -1 0 362.433 -0.661 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)N2CCSC[C@@H]2CC(=O)[O-])c1 ZINC000739201895 600697595 /nfs/dbraw/zinc/69/75/95/600697595.db2.gz URWUQRXIYURLBO-VIFPVBQESA-N -1 0 362.433 -0.661 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)Nc2cccc(C(=O)[O-])c2O)c1 ZINC000739201903 599945957 /nfs/dbraw/zinc/94/59/57/599945957.db2.gz VCHUIOODWMIQQN-UHFFFAOYSA-N -1 0 354.344 -0.037 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000739201923 600391229 /nfs/dbraw/zinc/39/12/29/600391229.db2.gz WGQSEUSDVYTJCX-CYBMUJFWSA-N -1 0 353.400 -0.228 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000739201924 600391463 /nfs/dbraw/zinc/39/14/63/600391463.db2.gz WGQSEUSDVYTJCX-ZDUSSCGKSA-N -1 0 353.400 -0.228 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000739201928 603458534 /nfs/dbraw/zinc/45/85/34/603458534.db2.gz WMUYOSBZVIQSIL-UHFFFAOYSA-N -1 0 367.387 -0.021 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000739201929 600332926 /nfs/dbraw/zinc/33/29/26/600332926.db2.gz WNFHVXVQYZTGGZ-UHFFFAOYSA-N -1 0 353.360 -0.063 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000739201956 600071439 /nfs/dbraw/zinc/07/14/39/600071439.db2.gz YZFNNOSGFHLVBL-JTQLQIEISA-N -1 0 369.355 -0.683 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000739201957 600071581 /nfs/dbraw/zinc/07/15/81/600071581.db2.gz YZFNNOSGFHLVBL-SNVBAGLBSA-N -1 0 369.355 -0.683 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)NCc2cccc(OCC(=O)[O-])c2)c1 ZINC000739201961 600648464 /nfs/dbraw/zinc/64/84/64/600648464.db2.gz ZDVGCQLQZDFDQM-UHFFFAOYSA-N -1 0 368.371 -0.690 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC000739202020 603223326 /nfs/dbraw/zinc/22/33/26/603223326.db2.gz DWQKSEUJOWGZPF-NXEZZACHSA-N -1 0 354.363 -0.454 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC000739202022 603223171 /nfs/dbraw/zinc/22/31/71/603223171.db2.gz DWQKSEUJOWGZPF-UWVGGRQHSA-N -1 0 354.363 -0.454 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC000739202024 603223161 /nfs/dbraw/zinc/22/31/61/603223161.db2.gz DWQKSEUJOWGZPF-VHSXEESVSA-N -1 0 354.363 -0.454 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC000739202026 603223414 /nfs/dbraw/zinc/22/34/14/603223414.db2.gz DWQKSEUJOWGZPF-ZJUUUORDSA-N -1 0 354.363 -0.454 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000739203061 603210717 /nfs/dbraw/zinc/21/07/17/603210717.db2.gz APEMGYUVTFMMKD-PSASIEDQSA-N -1 0 354.363 -0.683 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000739203064 603210732 /nfs/dbraw/zinc/21/07/32/603210732.db2.gz APEMGYUVTFMMKD-SCZZXKLOSA-N -1 0 354.363 -0.683 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000739203068 603210841 /nfs/dbraw/zinc/21/08/41/603210841.db2.gz APEMGYUVTFMMKD-WCBMZHEXSA-N -1 0 354.363 -0.683 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000739203072 603211494 /nfs/dbraw/zinc/21/14/94/603211494.db2.gz APEMGYUVTFMMKD-WPRPVWTQSA-N -1 0 354.363 -0.683 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000739203353 603220019 /nfs/dbraw/zinc/22/00/19/603220019.db2.gz IPRQYKWKRIEKEY-HTQZYQBOSA-N -1 0 356.335 -0.973 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000739203354 603220236 /nfs/dbraw/zinc/22/02/36/603220236.db2.gz IPRQYKWKRIEKEY-JGVFFNPUSA-N -1 0 356.335 -0.973 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000739203356 603220164 /nfs/dbraw/zinc/22/01/64/603220164.db2.gz IPRQYKWKRIEKEY-SFYZADRCSA-N -1 0 356.335 -0.973 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000739203358 603220302 /nfs/dbraw/zinc/22/03/02/603220302.db2.gz IPRQYKWKRIEKEY-YUMQZZPRSA-N -1 0 356.335 -0.973 20 0 FBADRM Nc1nccnc1C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC000739203899 600493881 /nfs/dbraw/zinc/49/38/81/600493881.db2.gz TWAIKVYCOFQIPR-UHFFFAOYSA-N -1 0 351.344 -0.326 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000739205857 603096291 /nfs/dbraw/zinc/09/62/91/603096291.db2.gz HHPDGMWIBLFFNZ-GXSJLCMTSA-N -1 0 368.394 -0.401 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000739205861 603096007 /nfs/dbraw/zinc/09/60/07/603096007.db2.gz HHPDGMWIBLFFNZ-KOLCDFICSA-N -1 0 368.394 -0.401 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000739205866 603096040 /nfs/dbraw/zinc/09/60/40/603096040.db2.gz HHPDGMWIBLFFNZ-MWLCHTKSSA-N -1 0 368.394 -0.401 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000739205870 603096131 /nfs/dbraw/zinc/09/61/31/603096131.db2.gz HHPDGMWIBLFFNZ-ONGXEEELSA-N -1 0 368.394 -0.401 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)C(C)(C)NS(C)(=O)=O ZINC000739206102 602911177 /nfs/dbraw/zinc/91/11/77/602911177.db2.gz XPMNYCJNHDHPHW-BDAKNGLRSA-N -1 0 351.425 -0.066 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)C(C)(C)NS(C)(=O)=O ZINC000739206105 602911147 /nfs/dbraw/zinc/91/11/47/602911147.db2.gz XPMNYCJNHDHPHW-DTWKUNHWSA-N -1 0 351.425 -0.066 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)C(C)(C)NS(C)(=O)=O ZINC000739206108 602910872 /nfs/dbraw/zinc/91/08/72/602910872.db2.gz XPMNYCJNHDHPHW-IUCAKERBSA-N -1 0 351.425 -0.066 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)C(C)(C)NS(C)(=O)=O ZINC000739206112 602911036 /nfs/dbraw/zinc/91/10/36/602911036.db2.gz XPMNYCJNHDHPHW-RKDXNWHRSA-N -1 0 351.425 -0.066 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000739206352 603156971 /nfs/dbraw/zinc/15/69/71/603156971.db2.gz ONGHERANAVSUER-NXEZZACHSA-N -1 0 354.363 -0.833 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000739206356 603157028 /nfs/dbraw/zinc/15/70/28/603157028.db2.gz ONGHERANAVSUER-UWVGGRQHSA-N -1 0 354.363 -0.833 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000739206360 603157070 /nfs/dbraw/zinc/15/70/70/603157070.db2.gz ONGHERANAVSUER-VHSXEESVSA-N -1 0 354.363 -0.833 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000739206364 603157004 /nfs/dbraw/zinc/15/70/04/603157004.db2.gz ONGHERANAVSUER-ZJUUUORDSA-N -1 0 354.363 -0.833 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)CN1CCS(=O)(=O)CC1 ZINC000739207219 603220934 /nfs/dbraw/zinc/22/09/34/603220934.db2.gz QOSUDIZQEWMILO-GHMZBOCLSA-N -1 0 363.436 -0.664 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)CN1CCS(=O)(=O)CC1 ZINC000739207292 603220843 /nfs/dbraw/zinc/22/08/43/603220843.db2.gz QOSUDIZQEWMILO-MNOVXSKESA-N -1 0 363.436 -0.664 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)CN1CCS(=O)(=O)CC1 ZINC000739207295 603220733 /nfs/dbraw/zinc/22/07/33/603220733.db2.gz QOSUDIZQEWMILO-QWRGUYRKSA-N -1 0 363.436 -0.664 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)CN1CCS(=O)(=O)CC1 ZINC000739207298 603220893 /nfs/dbraw/zinc/22/08/93/603220893.db2.gz QOSUDIZQEWMILO-WDEREUQCSA-N -1 0 363.436 -0.664 20 0 FBADRM CCC(=O)N1CSC[C@@H]1C(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739207578 602247377 /nfs/dbraw/zinc/24/73/77/602247377.db2.gz AUJBRVCZNOTJSZ-LLVKDONJSA-N -1 0 372.447 -0.422 20 0 FBADRM CCC(=O)N1CSC[C@H]1C(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739207582 602247459 /nfs/dbraw/zinc/24/74/59/602247459.db2.gz AUJBRVCZNOTJSZ-NSHDSACASA-N -1 0 372.447 -0.422 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000739211061 603154346 /nfs/dbraw/zinc/15/43/46/603154346.db2.gz RJRTYLRSYHLESH-GZMMTYOYSA-N -1 0 374.419 -0.094 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000739211064 603154268 /nfs/dbraw/zinc/15/42/68/603154268.db2.gz RJRTYLRSYHLESH-KCJUWKMLSA-N -1 0 374.419 -0.094 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000739211067 603154324 /nfs/dbraw/zinc/15/43/24/603154324.db2.gz RJRTYLRSYHLESH-KWQFWETISA-N -1 0 374.419 -0.094 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000739211069 603154257 /nfs/dbraw/zinc/15/42/57/603154257.db2.gz RJRTYLRSYHLESH-LDYMZIIASA-N -1 0 374.419 -0.094 20 0 FBADRM CCC(=O)N1CSC[C@H]1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739211327 602239967 /nfs/dbraw/zinc/23/99/67/602239967.db2.gz OZDNVUWTGMBXNT-JTQLQIEISA-N -1 0 358.420 -0.764 20 0 FBADRM CCC(=O)N1CSC[C@@H]1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739211330 602239978 /nfs/dbraw/zinc/23/99/78/602239978.db2.gz OZDNVUWTGMBXNT-SNVBAGLBSA-N -1 0 358.420 -0.764 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)CCCN1C(=O)CNC1=O ZINC000739212124 603219479 /nfs/dbraw/zinc/21/94/79/603219479.db2.gz XYYTXCCLUYFUAW-NXEZZACHSA-N -1 0 356.379 -0.062 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)CCCN1C(=O)CNC1=O ZINC000739212126 603219640 /nfs/dbraw/zinc/21/96/40/603219640.db2.gz XYYTXCCLUYFUAW-UWVGGRQHSA-N -1 0 356.379 -0.062 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)CCCN1C(=O)CNC1=O ZINC000739212128 603219637 /nfs/dbraw/zinc/21/96/37/603219637.db2.gz XYYTXCCLUYFUAW-VHSXEESVSA-N -1 0 356.379 -0.062 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)CCCN1C(=O)CNC1=O ZINC000739212130 603219487 /nfs/dbraw/zinc/21/94/87/603219487.db2.gz XYYTXCCLUYFUAW-ZJUUUORDSA-N -1 0 356.379 -0.062 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000739228384 602128977 /nfs/dbraw/zinc/12/89/77/602128977.db2.gz GNNWOTBPPAQFTQ-CHWSQXEVSA-N -1 0 368.434 -0.038 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000739228387 602128973 /nfs/dbraw/zinc/12/89/73/602128973.db2.gz GNNWOTBPPAQFTQ-OLZOCXBDSA-N -1 0 368.434 -0.038 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000739228391 602129001 /nfs/dbraw/zinc/12/90/01/602129001.db2.gz GNNWOTBPPAQFTQ-QWHCGFSZSA-N -1 0 368.434 -0.038 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000739228394 602128927 /nfs/dbraw/zinc/12/89/27/602128927.db2.gz GNNWOTBPPAQFTQ-STQMWFEESA-N -1 0 368.434 -0.038 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000739228728 602124610 /nfs/dbraw/zinc/12/46/10/602124610.db2.gz SZJAYYJEDHHONA-HOSYDEDBSA-N -1 0 363.436 -0.570 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000739228729 602124482 /nfs/dbraw/zinc/12/44/82/602124482.db2.gz SZJAYYJEDHHONA-JBLDHEPKSA-N -1 0 363.436 -0.570 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000739228730 602124398 /nfs/dbraw/zinc/12/43/98/602124398.db2.gz SZJAYYJEDHHONA-NHCYSSNCSA-N -1 0 363.436 -0.570 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000739228732 602124591 /nfs/dbraw/zinc/12/45/91/602124591.db2.gz SZJAYYJEDHHONA-UMNHJUIQSA-N -1 0 363.436 -0.570 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000739229033 602128998 /nfs/dbraw/zinc/12/89/98/602128998.db2.gz HCORHKKJIHHQLI-CMPLNLGQSA-N -1 0 354.407 -0.382 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000739229035 602128916 /nfs/dbraw/zinc/12/89/16/602128916.db2.gz HCORHKKJIHHQLI-JQWIXIFHSA-N -1 0 354.407 -0.382 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000739229037 602129019 /nfs/dbraw/zinc/12/90/19/602129019.db2.gz HCORHKKJIHHQLI-PWSUYJOCSA-N -1 0 354.407 -0.382 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000739229040 602129030 /nfs/dbraw/zinc/12/90/30/602129030.db2.gz HCORHKKJIHHQLI-ZYHUDNBSSA-N -1 0 354.407 -0.382 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000739229944 602699452 /nfs/dbraw/zinc/69/94/52/602699452.db2.gz IVQIZHGMAACQBO-AXFHLTTASA-N -1 0 363.436 -0.570 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000739229946 602699416 /nfs/dbraw/zinc/69/94/16/602699416.db2.gz IVQIZHGMAACQBO-DCAQKATOSA-N -1 0 363.436 -0.570 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000739229948 602699336 /nfs/dbraw/zinc/69/93/36/602699336.db2.gz IVQIZHGMAACQBO-GARJFASQSA-N -1 0 363.436 -0.570 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000739229950 602699440 /nfs/dbraw/zinc/69/94/40/602699440.db2.gz IVQIZHGMAACQBO-HBNTYKKESA-N -1 0 363.436 -0.570 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000739230490 602216594 /nfs/dbraw/zinc/21/65/94/602216594.db2.gz IJMSGUJGIXEHJR-GMSGAONNSA-N -1 0 370.362 -0.926 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000739230491 602216635 /nfs/dbraw/zinc/21/66/35/602216635.db2.gz IJMSGUJGIXEHJR-OIBJUYFYSA-N -1 0 370.362 -0.926 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000739230492 602216638 /nfs/dbraw/zinc/21/66/38/602216638.db2.gz IJMSGUJGIXEHJR-XCBNKYQSSA-N -1 0 370.362 -0.926 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000739230493 602216574 /nfs/dbraw/zinc/21/65/74/602216574.db2.gz IJMSGUJGIXEHJR-XVKPBYJWSA-N -1 0 370.362 -0.926 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000739230775 602151448 /nfs/dbraw/zinc/15/14/48/602151448.db2.gz JWXFIGIRDQFVPS-CMPLNLGQSA-N -1 0 353.383 -0.974 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000739230781 602151388 /nfs/dbraw/zinc/15/13/88/602151388.db2.gz JWXFIGIRDQFVPS-JQWIXIFHSA-N -1 0 353.383 -0.974 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000739230786 602151529 /nfs/dbraw/zinc/15/15/29/602151529.db2.gz JWXFIGIRDQFVPS-PWSUYJOCSA-N -1 0 353.383 -0.974 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000739230791 602151477 /nfs/dbraw/zinc/15/14/77/602151477.db2.gz JWXFIGIRDQFVPS-ZYHUDNBSSA-N -1 0 353.383 -0.974 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000739233702 603023179 /nfs/dbraw/zinc/02/31/79/603023179.db2.gz NDIIKXKTBFAXAW-AXFHLTTASA-N -1 0 350.441 -0.300 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000739233706 603023378 /nfs/dbraw/zinc/02/33/78/603023378.db2.gz NDIIKXKTBFAXAW-DCAQKATOSA-N -1 0 350.441 -0.300 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000739233711 603023672 /nfs/dbraw/zinc/02/36/72/603023672.db2.gz NDIIKXKTBFAXAW-GARJFASQSA-N -1 0 350.441 -0.300 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000739233714 603023398 /nfs/dbraw/zinc/02/33/98/603023398.db2.gz NDIIKXKTBFAXAW-HBNTYKKESA-N -1 0 350.441 -0.300 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000739234042 603225928 /nfs/dbraw/zinc/22/59/28/603225928.db2.gz SRXPSFXIWBHZRC-GUTXKFCHSA-N -1 0 370.450 -0.282 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000739234045 603225756 /nfs/dbraw/zinc/22/57/56/603225756.db2.gz SRXPSFXIWBHZRC-GZBFAFLISA-N -1 0 370.450 -0.282 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000739234050 603225920 /nfs/dbraw/zinc/22/59/20/603225920.db2.gz SRXPSFXIWBHZRC-KCQAQPDRSA-N -1 0 370.450 -0.282 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000739234053 603225948 /nfs/dbraw/zinc/22/59/48/603225948.db2.gz SRXPSFXIWBHZRC-YDHLFZDLSA-N -1 0 370.450 -0.282 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000739235953 602119567 /nfs/dbraw/zinc/11/95/67/602119567.db2.gz PJRJHACFELFRFI-GHMZBOCLSA-N -1 0 350.441 -0.381 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000739235954 602119594 /nfs/dbraw/zinc/11/95/94/602119594.db2.gz PJRJHACFELFRFI-MNOVXSKESA-N -1 0 350.441 -0.381 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000739235955 602119542 /nfs/dbraw/zinc/11/95/42/602119542.db2.gz PJRJHACFELFRFI-QWRGUYRKSA-N -1 0 350.441 -0.381 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000739235956 602119702 /nfs/dbraw/zinc/11/97/02/602119702.db2.gz PJRJHACFELFRFI-WDEREUQCSA-N -1 0 350.441 -0.381 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000739235957 602107901 /nfs/dbraw/zinc/10/79/01/602107901.db2.gz PJYQYWWLKUGJCY-DZGCQCFKSA-N -1 0 370.450 -0.328 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000739235959 602107858 /nfs/dbraw/zinc/10/78/58/602107858.db2.gz PJYQYWWLKUGJCY-HIFRSBDPSA-N -1 0 370.450 -0.328 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000739235961 602107913 /nfs/dbraw/zinc/10/79/13/602107913.db2.gz PJYQYWWLKUGJCY-UKRRQHHQSA-N -1 0 370.450 -0.328 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000739235963 602107848 /nfs/dbraw/zinc/10/78/48/602107848.db2.gz PJYQYWWLKUGJCY-ZFWWWQNUSA-N -1 0 370.450 -0.328 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 ZINC000739236427 602573694 /nfs/dbraw/zinc/57/36/94/602573694.db2.gz JIHXALGNGHOFCA-BXUZGUMPSA-N -1 0 356.423 -0.134 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 ZINC000739236428 602573966 /nfs/dbraw/zinc/57/39/66/602573966.db2.gz JIHXALGNGHOFCA-FZMZJTMJSA-N -1 0 356.423 -0.134 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 ZINC000739236430 602573861 /nfs/dbraw/zinc/57/38/61/602573861.db2.gz JIHXALGNGHOFCA-RISCZKNCSA-N -1 0 356.423 -0.134 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 ZINC000739236431 602573715 /nfs/dbraw/zinc/57/37/15/602573715.db2.gz JIHXALGNGHOFCA-SMDDNHRTSA-N -1 0 356.423 -0.134 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000739236921 602113070 /nfs/dbraw/zinc/11/30/70/602113070.db2.gz RQBJZXRURAUIOD-DZGCQCFKSA-N -1 0 370.450 -0.328 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000739236924 602113034 /nfs/dbraw/zinc/11/30/34/602113034.db2.gz RQBJZXRURAUIOD-HIFRSBDPSA-N -1 0 370.450 -0.328 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000739236927 602113076 /nfs/dbraw/zinc/11/30/76/602113076.db2.gz RQBJZXRURAUIOD-UKRRQHHQSA-N -1 0 370.450 -0.328 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000739236930 602112976 /nfs/dbraw/zinc/11/29/76/602112976.db2.gz RQBJZXRURAUIOD-ZFWWWQNUSA-N -1 0 370.450 -0.328 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000739239094 602136769 /nfs/dbraw/zinc/13/67/69/602136769.db2.gz OLEZWRMXZWHELS-NEPJUHHUSA-N -1 0 364.468 -0.638 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000739239096 602136638 /nfs/dbraw/zinc/13/66/38/602136638.db2.gz OLEZWRMXZWHELS-NWDGAFQWSA-N -1 0 364.468 -0.638 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000739239099 602136642 /nfs/dbraw/zinc/13/66/42/602136642.db2.gz OLEZWRMXZWHELS-RYUDHWBXSA-N -1 0 364.468 -0.638 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000739239101 602136707 /nfs/dbraw/zinc/13/67/07/602136707.db2.gz OLEZWRMXZWHELS-VXGBXAGGSA-N -1 0 364.468 -0.638 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000739240129 602110791 /nfs/dbraw/zinc/11/07/91/602110791.db2.gz XSSPQTZIVJVDPA-NEPJUHHUSA-N -1 0 356.423 -0.136 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000739240130 602110994 /nfs/dbraw/zinc/11/09/94/602110994.db2.gz XSSPQTZIVJVDPA-NWDGAFQWSA-N -1 0 356.423 -0.136 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000739240131 602110715 /nfs/dbraw/zinc/11/07/15/602110715.db2.gz XSSPQTZIVJVDPA-RYUDHWBXSA-N -1 0 356.423 -0.136 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000739240133 602111005 /nfs/dbraw/zinc/11/10/05/602111005.db2.gz XSSPQTZIVJVDPA-VXGBXAGGSA-N -1 0 356.423 -0.136 20 0 FBADRM CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739243811 603004232 /nfs/dbraw/zinc/00/42/32/603004232.db2.gz ISNNVMKQJKTYQC-GHMZBOCLSA-N -1 0 372.447 -0.375 20 0 FBADRM CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739243814 603004111 /nfs/dbraw/zinc/00/41/11/603004111.db2.gz ISNNVMKQJKTYQC-MNOVXSKESA-N -1 0 372.447 -0.375 20 0 FBADRM CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739243816 603004405 /nfs/dbraw/zinc/00/44/05/603004405.db2.gz ISNNVMKQJKTYQC-QWRGUYRKSA-N -1 0 372.447 -0.375 20 0 FBADRM CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739243819 603004382 /nfs/dbraw/zinc/00/43/82/603004382.db2.gz ISNNVMKQJKTYQC-WDEREUQCSA-N -1 0 372.447 -0.375 20 0 FBADRM CC[C@@H](C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739245444 602577766 /nfs/dbraw/zinc/57/77/66/602577766.db2.gz NDLMRIAXANSRSE-CHWSQXEVSA-N -1 0 355.439 -0.019 20 0 FBADRM CC[C@@H](C)NC(=O)CN1CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739245446 602577490 /nfs/dbraw/zinc/57/74/90/602577490.db2.gz NDLMRIAXANSRSE-OLZOCXBDSA-N -1 0 355.439 -0.019 20 0 FBADRM CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739245448 602577709 /nfs/dbraw/zinc/57/77/09/602577709.db2.gz NDLMRIAXANSRSE-QWHCGFSZSA-N -1 0 355.439 -0.019 20 0 FBADRM CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739245450 602577484 /nfs/dbraw/zinc/57/74/84/602577484.db2.gz NDLMRIAXANSRSE-STQMWFEESA-N -1 0 355.439 -0.019 20 0 FBADRM CC[C@@H](C)NC(=O)CN1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739245459 602838625 /nfs/dbraw/zinc/83/86/25/602838625.db2.gz NEBLUMQPKYYIBV-CHWSQXEVSA-N -1 0 356.423 -0.576 20 0 FBADRM CC[C@@H](C)NC(=O)CN1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000739245461 602838691 /nfs/dbraw/zinc/83/86/91/602838691.db2.gz NEBLUMQPKYYIBV-OLZOCXBDSA-N -1 0 356.423 -0.576 20 0 FBADRM CC[C@H](C)NC(=O)CN1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739245462 602838957 /nfs/dbraw/zinc/83/89/57/602838957.db2.gz NEBLUMQPKYYIBV-QWHCGFSZSA-N -1 0 356.423 -0.576 20 0 FBADRM CC[C@H](C)NC(=O)CN1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000739245463 602838899 /nfs/dbraw/zinc/83/88/99/602838899.db2.gz NEBLUMQPKYYIBV-STQMWFEESA-N -1 0 356.423 -0.576 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000739245883 602124985 /nfs/dbraw/zinc/12/49/85/602124985.db2.gz YYQRVUNNHUOWHN-HOSYDEDBSA-N -1 0 363.436 -0.522 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000739245887 602124976 /nfs/dbraw/zinc/12/49/76/602124976.db2.gz YYQRVUNNHUOWHN-JBLDHEPKSA-N -1 0 363.436 -0.522 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000739245891 602125002 /nfs/dbraw/zinc/12/50/02/602125002.db2.gz YYQRVUNNHUOWHN-NHCYSSNCSA-N -1 0 363.436 -0.522 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000739245895 602125061 /nfs/dbraw/zinc/12/50/61/602125061.db2.gz YYQRVUNNHUOWHN-UMNHJUIQSA-N -1 0 363.436 -0.522 20 0 FBADRM CCC(CC)(CNC(=O)[O-])NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000739249484 602522022 /nfs/dbraw/zinc/52/20/22/602522022.db2.gz INNKEFMROARZPV-UHFFFAOYSA-N -1 0 350.441 -0.156 20 0 FBADRM CCC(CC)(CNC(=O)[O-])NC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000739250515 602522252 /nfs/dbraw/zinc/52/22/52/602522252.db2.gz VOPXIKWUFALCQT-UHFFFAOYSA-N -1 0 361.424 -0.359 20 0 FBADRM O=C([O-])[C@H](CO)NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000739251698 599744934 /nfs/dbraw/zinc/74/49/34/599744934.db2.gz LFEQHSBMZKMJTI-JTQLQIEISA-N -1 0 359.356 -0.817 20 0 FBADRM O=C([O-])[C@@H](CO)NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000739251700 599744772 /nfs/dbraw/zinc/74/47/72/599744772.db2.gz LFEQHSBMZKMJTI-SNVBAGLBSA-N -1 0 359.356 -0.817 20 0 FBADRM CCC(CC)N1C[C@H](C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1=O ZINC000739253142 602463152 /nfs/dbraw/zinc/46/31/52/602463152.db2.gz DZRCBGLMXIGLGI-GFCCVEGCSA-N -1 0 368.434 -0.038 20 0 FBADRM CCC(CC)N1C[C@@H](C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1=O ZINC000739253145 602463148 /nfs/dbraw/zinc/46/31/48/602463148.db2.gz DZRCBGLMXIGLGI-LBPRGKRZSA-N -1 0 368.434 -0.038 20 0 FBADRM CCC(CC)C(=O)N1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000739253662 603014480 /nfs/dbraw/zinc/01/44/80/603014480.db2.gz IXDXFBBUTDJAPO-UHFFFAOYSA-N -1 0 368.434 -0.084 20 0 FBADRM CCC(CC)(CNC(=O)[O-])NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000739255230 602564217 /nfs/dbraw/zinc/56/42/17/602564217.db2.gz YGFUDCNTLICMAG-UHFFFAOYSA-N -1 0 362.408 -0.811 20 0 FBADRM O=C([O-])c1ccc(CCC(=O)NCC(=O)NCCN2CCOCC2)cc1 ZINC000739256555 600273560 /nfs/dbraw/zinc/27/35/60/600273560.db2.gz NIPIXHAYRCEPLB-UHFFFAOYSA-N -1 0 363.414 -0.118 20 0 FBADRM CC[C@@H]1C(=O)NCCN1C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739263960 602727136 /nfs/dbraw/zinc/72/71/36/602727136.db2.gz BSJCBBIPGRNDRR-GFCCVEGCSA-N -1 0 350.379 -0.056 20 0 FBADRM CC[C@H]1C(=O)NCCN1C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739263961 602727130 /nfs/dbraw/zinc/72/71/30/602727130.db2.gz BSJCBBIPGRNDRR-LBPRGKRZSA-N -1 0 350.379 -0.056 20 0 FBADRM CC[C@H]1C(=O)NCCN1CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739264877 603049393 /nfs/dbraw/zinc/04/93/93/603049393.db2.gz FZRGPWMNSXJNFD-JTQLQIEISA-N -1 0 353.379 -0.781 20 0 FBADRM CC[C@@H]1C(=O)NCCN1CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739264878 603048775 /nfs/dbraw/zinc/04/87/75/603048775.db2.gz FZRGPWMNSXJNFD-SNVBAGLBSA-N -1 0 353.379 -0.781 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)Cc1ccc(O)cc1 ZINC000739269448 600587188 /nfs/dbraw/zinc/58/71/88/600587188.db2.gz XWXHBLOQAMNCEK-GFCCVEGCSA-N -1 0 361.354 -0.308 20 0 FBADRM O=C([O-])[C@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)Cc1ccc(O)cc1 ZINC000739269449 600587083 /nfs/dbraw/zinc/58/70/83/600587083.db2.gz XWXHBLOQAMNCEK-LBPRGKRZSA-N -1 0 361.354 -0.308 20 0 FBADRM O=C(CN1C(=O)NC2(CCOCC2)C1=O)NC1(C(=O)[O-])CCCCC1 ZINC000739273752 599763129 /nfs/dbraw/zinc/76/31/29/599763129.db2.gz NDLCDUXUWQIGNT-UHFFFAOYSA-N -1 0 353.375 -0.009 20 0 FBADRM O=C([O-])C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC(=O)NC1CC1 ZINC000739275084 600117247 /nfs/dbraw/zinc/11/72/47/600117247.db2.gz VTFNBIMEUKABGK-UHFFFAOYSA-N -1 0 363.355 -0.456 20 0 FBADRM O=C([O-])[C@H]1CC12CCN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)CC2 ZINC000739279387 600333764 /nfs/dbraw/zinc/33/37/64/600333764.db2.gz XBKGJZGIVITZDY-GHMZBOCLSA-N -1 0 373.431 -0.814 20 0 FBADRM O=C([O-])[C@@H]1CC12CCN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)CC2 ZINC000739279388 600333807 /nfs/dbraw/zinc/33/38/07/600333807.db2.gz XBKGJZGIVITZDY-MNOVXSKESA-N -1 0 373.431 -0.814 20 0 FBADRM O=C([O-])[C@@H]1CC12CCN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)CC2 ZINC000739279389 600333675 /nfs/dbraw/zinc/33/36/75/600333675.db2.gz XBKGJZGIVITZDY-QWRGUYRKSA-N -1 0 373.431 -0.814 20 0 FBADRM O=C([O-])[C@H]1CC12CCN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)CC2 ZINC000739279390 600333778 /nfs/dbraw/zinc/33/37/78/600333778.db2.gz XBKGJZGIVITZDY-WDEREUQCSA-N -1 0 373.431 -0.814 20 0 FBADRM CCCC(=O)NC[C@H]1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739280332 603022738 /nfs/dbraw/zinc/02/27/38/603022738.db2.gz CUSFPFLXPZTWEN-CYBMUJFWSA-N -1 0 368.434 -0.037 20 0 FBADRM CCCC(=O)NC[C@@H]1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739280336 603022699 /nfs/dbraw/zinc/02/26/99/603022699.db2.gz CUSFPFLXPZTWEN-ZDUSSCGKSA-N -1 0 368.434 -0.037 20 0 FBADRM CCCC(=O)N[C@@H]1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739281880 602999021 /nfs/dbraw/zinc/99/90/21/602999021.db2.gz LJIBQMYDCRJYFQ-GFCCVEGCSA-N -1 0 354.407 -0.284 20 0 FBADRM CCCC(=O)N[C@H]1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739281881 602999326 /nfs/dbraw/zinc/99/93/26/602999326.db2.gz LJIBQMYDCRJYFQ-LBPRGKRZSA-N -1 0 354.407 -0.284 20 0 FBADRM CCCC(=O)NC1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000739282619 602992659 /nfs/dbraw/zinc/99/26/59/602992659.db2.gz MHDHZRQQADUBIO-UHFFFAOYSA-N -1 0 354.407 -0.284 20 0 FBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000739283485 602113541 /nfs/dbraw/zinc/11/35/41/602113541.db2.gz FXKRBLWCKMCZRS-KRWDZBQOSA-N -1 0 370.450 -0.184 20 0 FBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000739283487 602113447 /nfs/dbraw/zinc/11/34/47/602113447.db2.gz FXKRBLWCKMCZRS-QGZVFWFLSA-N -1 0 370.450 -0.184 20 0 FBADRM CCCC(=O)N1CSC[C@@H]1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739284186 601979599 /nfs/dbraw/zinc/97/95/99/601979599.db2.gz ZEKMNIWULJNQFZ-LLVKDONJSA-N -1 0 372.447 -0.374 20 0 FBADRM CCCC(=O)N1CSC[C@H]1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739284188 601979622 /nfs/dbraw/zinc/97/96/22/601979622.db2.gz ZEKMNIWULJNQFZ-NSHDSACASA-N -1 0 372.447 -0.374 20 0 FBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000739284449 602699334 /nfs/dbraw/zinc/69/93/34/602699334.db2.gz IPUORMPSOAAAAA-HZMBPMFUSA-N -1 0 363.436 -0.426 20 0 FBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000739284451 602699369 /nfs/dbraw/zinc/69/93/69/602699369.db2.gz IPUORMPSOAAAAA-IINYFYTJSA-N -1 0 363.436 -0.426 20 0 FBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000739284453 602699339 /nfs/dbraw/zinc/69/93/39/602699339.db2.gz IPUORMPSOAAAAA-QMTHXVAHSA-N -1 0 363.436 -0.426 20 0 FBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000739284455 602699366 /nfs/dbraw/zinc/69/93/66/602699366.db2.gz IPUORMPSOAAAAA-YGRLFVJLSA-N -1 0 363.436 -0.426 20 0 FBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000739285044 602120061 /nfs/dbraw/zinc/12/00/61/602120061.db2.gz KAVYGCXDVARCNL-CYBMUJFWSA-N -1 0 350.441 -0.237 20 0 FBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000739285047 602120117 /nfs/dbraw/zinc/12/01/17/602120117.db2.gz KAVYGCXDVARCNL-ZDUSSCGKSA-N -1 0 350.441 -0.237 20 0 FBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000739285497 602151870 /nfs/dbraw/zinc/15/18/70/602151870.db2.gz LKOPMOGXNZZXLV-AWEZNQCLSA-N -1 0 353.383 -0.830 20 0 FBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000739285499 602151956 /nfs/dbraw/zinc/15/19/56/602151956.db2.gz LKOPMOGXNZZXLV-CQSZACIVSA-N -1 0 353.383 -0.830 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)CN1CCCS1(=O)=O)Cc1ccc(O)cc1 ZINC000739285636 600579522 /nfs/dbraw/zinc/57/95/22/600579522.db2.gz IQSGJMKBHZYCMJ-GFCCVEGCSA-N -1 0 356.400 -0.213 20 0 FBADRM O=C([O-])[C@H](CNC(=O)CN1CCCS1(=O)=O)Cc1ccc(O)cc1 ZINC000739285637 600579639 /nfs/dbraw/zinc/57/96/39/600579639.db2.gz IQSGJMKBHZYCMJ-LBPRGKRZSA-N -1 0 356.400 -0.213 20 0 FBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000739286308 602125037 /nfs/dbraw/zinc/12/50/37/602125037.db2.gz YOKRIAJKPOLJFW-HZMBPMFUSA-N -1 0 363.436 -0.426 20 0 FBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000739286310 602125070 /nfs/dbraw/zinc/12/50/70/602125070.db2.gz YOKRIAJKPOLJFW-IINYFYTJSA-N -1 0 363.436 -0.426 20 0 FBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000739286312 602124987 /nfs/dbraw/zinc/12/49/87/602124987.db2.gz YOKRIAJKPOLJFW-QMTHXVAHSA-N -1 0 363.436 -0.426 20 0 FBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000739286314 602125008 /nfs/dbraw/zinc/12/50/08/602125008.db2.gz YOKRIAJKPOLJFW-YGRLFVJLSA-N -1 0 363.436 -0.426 20 0 FBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000739286877 602107959 /nfs/dbraw/zinc/10/79/59/602107959.db2.gz QQFSHYNZFCLBIM-KRWDZBQOSA-N -1 0 370.450 -0.184 20 0 FBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000739286878 602107962 /nfs/dbraw/zinc/10/79/62/602107962.db2.gz QQFSHYNZFCLBIM-QGZVFWFLSA-N -1 0 370.450 -0.184 20 0 FBADRM CCC[C@](C)(NC(=O)[O-])C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000739288102 602125042 /nfs/dbraw/zinc/12/50/42/602125042.db2.gz NXTOKEQIRYLGID-HZMBPMFUSA-N -1 0 363.436 -0.378 20 0 FBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000739288104 602125012 /nfs/dbraw/zinc/12/50/12/602125012.db2.gz NXTOKEQIRYLGID-IINYFYTJSA-N -1 0 363.436 -0.378 20 0 FBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000739288106 602125069 /nfs/dbraw/zinc/12/50/69/602125069.db2.gz NXTOKEQIRYLGID-QMTHXVAHSA-N -1 0 363.436 -0.378 20 0 FBADRM CCC[C@](C)(NC(=O)[O-])C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000739288108 602125016 /nfs/dbraw/zinc/12/50/16/602125016.db2.gz NXTOKEQIRYLGID-YGRLFVJLSA-N -1 0 363.436 -0.378 20 0 FBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000739288219 602144555 /nfs/dbraw/zinc/14/45/55/602144555.db2.gz PHOWTKDGGVVGQZ-CYBMUJFWSA-N -1 0 351.425 -0.409 20 0 FBADRM CCC[C@](C)(NC(=O)[O-])C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000739288220 602144794 /nfs/dbraw/zinc/14/47/94/602144794.db2.gz PHOWTKDGGVVGQZ-ZDUSSCGKSA-N -1 0 351.425 -0.409 20 0 FBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000739288566 602129502 /nfs/dbraw/zinc/12/95/02/602129502.db2.gz ZUFLUYUEWSRXJH-INIZCTEOSA-N -1 0 354.407 -0.238 20 0 FBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000739288567 602129578 /nfs/dbraw/zinc/12/95/78/602129578.db2.gz ZUFLUYUEWSRXJH-MRXNPFEDSA-N -1 0 354.407 -0.238 20 0 FBADRM CCC[C@](C)(NC(=O)[O-])C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000739289042 602137176 /nfs/dbraw/zinc/13/71/76/602137176.db2.gz UJRZLSYTNMILDQ-AWEZNQCLSA-N -1 0 364.468 -0.494 20 0 FBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000739289043 602137323 /nfs/dbraw/zinc/13/73/23/602137323.db2.gz UJRZLSYTNMILDQ-CQSZACIVSA-N -1 0 364.468 -0.494 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CCO)CC1 ZINC000739289184 600011042 /nfs/dbraw/zinc/01/10/42/600011042.db2.gz AYYXTOZIZYZVQT-KRWDZBQOSA-N -1 0 374.441 -0.110 20 0 FBADRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CCO)CC1 ZINC000739289185 600011121 /nfs/dbraw/zinc/01/11/21/600011121.db2.gz AYYXTOZIZYZVQT-QGZVFWFLSA-N -1 0 374.441 -0.110 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)o1 ZINC000739289239 599767786 /nfs/dbraw/zinc/76/77/86/599767786.db2.gz GHEZZOYWFXKBQM-UHFFFAOYSA-N -1 0 357.388 -0.437 20 0 FBADRM O=C(CN1CCN(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CC1)NC1CC1 ZINC000739290056 603300650 /nfs/dbraw/zinc/30/06/50/603300650.db2.gz PEKDRVADKISMRG-CYBMUJFWSA-N -1 0 353.423 -0.265 20 0 FBADRM O=C(CN1CCN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CC1)NC1CC1 ZINC000739290058 605661831 /nfs/dbraw/zinc/66/18/31/605661831.db2.gz PEKDRVADKISMRG-ZDUSSCGKSA-N -1 0 353.423 -0.265 20 0 FBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000739290260 603023553 /nfs/dbraw/zinc/02/35/53/603023553.db2.gz KUWYGDWBBINSIW-GWCFXTLKSA-N -1 0 350.441 -0.156 20 0 FBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000739290262 603023514 /nfs/dbraw/zinc/02/35/14/603023514.db2.gz KUWYGDWBBINSIW-GXFFZTMASA-N -1 0 350.441 -0.156 20 0 FBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000739290264 603023654 /nfs/dbraw/zinc/02/36/54/603023654.db2.gz KUWYGDWBBINSIW-MFKMUULPSA-N -1 0 350.441 -0.156 20 0 FBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000739290266 603023217 /nfs/dbraw/zinc/02/32/17/603023217.db2.gz KUWYGDWBBINSIW-ZWNOBZJWSA-N -1 0 350.441 -0.156 20 0 FBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000739291427 603225814 /nfs/dbraw/zinc/22/58/14/603225814.db2.gz QZAZICOBLOQMSQ-CXAGYDPISA-N -1 0 370.450 -0.138 20 0 FBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000739291428 603226236 /nfs/dbraw/zinc/22/62/36/603226236.db2.gz QZAZICOBLOQMSQ-DYVFJYSZSA-N -1 0 370.450 -0.138 20 0 FBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000739291430 603226116 /nfs/dbraw/zinc/22/61/16/603226116.db2.gz QZAZICOBLOQMSQ-GUYCJALGSA-N -1 0 370.450 -0.138 20 0 FBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000739291432 603226188 /nfs/dbraw/zinc/22/61/88/603226188.db2.gz QZAZICOBLOQMSQ-SUMWQHHRSA-N -1 0 370.450 -0.138 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000739292652 600139366 /nfs/dbraw/zinc/13/93/66/600139366.db2.gz AXMWEXLIRIHMER-CABCVRRESA-N -1 0 361.398 -0.285 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000739294011 600310251 /nfs/dbraw/zinc/31/02/51/600310251.db2.gz RMRAQFUNGVYETE-CABCVRRESA-N -1 0 361.398 -0.051 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000739294089 600312028 /nfs/dbraw/zinc/31/20/28/600312028.db2.gz SSQJCEWOTUMTPG-PWSUYJOCSA-N -1 0 352.343 -0.570 20 0 FBADRM O=C(CN1CCO[C@@H](Cn2cncn2)C1)NC1(C(=O)[O-])CCCCC1 ZINC000739294223 599971619 /nfs/dbraw/zinc/97/16/19/599971619.db2.gz CSFMCKSIUGYDLO-CYBMUJFWSA-N -1 0 351.407 -0.117 20 0 FBADRM O=C(CN1CCO[C@H](Cn2cncn2)C1)NC1(C(=O)[O-])CCCCC1 ZINC000739294224 599973399 /nfs/dbraw/zinc/97/33/99/599973399.db2.gz CSFMCKSIUGYDLO-ZDUSSCGKSA-N -1 0 351.407 -0.117 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000739294449 600142231 /nfs/dbraw/zinc/14/22/31/600142231.db2.gz VGSVARZHSXLTFU-CVEARBPZSA-N -1 0 363.414 -0.023 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000739294810 600140518 /nfs/dbraw/zinc/14/05/18/600140518.db2.gz ITSRVKZCXYXPFO-SKDRFNHKSA-N -1 0 357.313 -0.461 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)CN1CCS(=O)(=O)CC1)Cc1ccc(O)cc1 ZINC000739294824 599701049 /nfs/dbraw/zinc/70/10/49/599701049.db2.gz JDKWHHDSCYWPSY-CYBMUJFWSA-N -1 0 370.427 -0.518 20 0 FBADRM O=C([O-])[C@H](CNC(=O)CN1CCS(=O)(=O)CC1)Cc1ccc(O)cc1 ZINC000739294826 599701001 /nfs/dbraw/zinc/70/10/01/599701001.db2.gz JDKWHHDSCYWPSY-ZDUSSCGKSA-N -1 0 370.427 -0.518 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000739295234 600142350 /nfs/dbraw/zinc/14/23/50/600142350.db2.gz OPBBLUVBPRNJCX-MNOVXSKESA-N -1 0 365.342 -0.374 20 0 FBADRM O=C([O-])[C@H](NC(=O)CN1CCS(=O)(=O)CC1)c1cc(F)ccc1F ZINC000739295253 599972918 /nfs/dbraw/zinc/97/29/18/599972918.db2.gz PNPYKSPJHPICHH-CYBMUJFWSA-N -1 0 362.354 -0.063 20 0 FBADRM O=C([O-])[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)c1cc(F)ccc1F ZINC000739295255 599972920 /nfs/dbraw/zinc/97/29/20/599972920.db2.gz PNPYKSPJHPICHH-ZDUSSCGKSA-N -1 0 362.354 -0.063 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)CN1CCS(=O)(=O)CC1)Cc1cccc(F)c1 ZINC000739295347 599945913 /nfs/dbraw/zinc/94/59/13/599945913.db2.gz RNIQIJULIZEFCZ-CYBMUJFWSA-N -1 0 372.418 -0.084 20 0 FBADRM O=C([O-])[C@H](CNC(=O)CN1CCS(=O)(=O)CC1)Cc1cccc(F)c1 ZINC000739295350 599945958 /nfs/dbraw/zinc/94/59/58/599945958.db2.gz RNIQIJULIZEFCZ-ZDUSSCGKSA-N -1 0 372.418 -0.084 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000739295885 600142335 /nfs/dbraw/zinc/14/23/35/600142335.db2.gz UBMHBTJDSKNXSO-ZJUUUORDSA-N -1 0 351.315 -0.417 20 0 FBADRM O=C([O-])c1ccc(OCCNC(=O)CN2CCS(=O)(=O)CC2)cc1 ZINC000739295933 599902390 /nfs/dbraw/zinc/90/23/90/599902390.db2.gz WIZOHHKIQGVXOF-UHFFFAOYSA-N -1 0 356.400 -0.390 20 0 FBADRM O=C([O-])c1cccn2cc(COC(=O)CN3CCS(=O)(=O)CC3)nc12 ZINC000739295971 599987799 /nfs/dbraw/zinc/98/77/99/599987799.db2.gz YMTSPCBNKNOMAJ-UHFFFAOYSA-N -1 0 367.383 -0.194 20 0 FBADRM CCC[C@](C)(NC(=O)[O-])C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000739298870 602222706 /nfs/dbraw/zinc/22/27/06/602222706.db2.gz UTLIGUSOXGLENH-HNNXBMFYSA-N -1 0 370.362 -0.782 20 0 FBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000739298874 602222858 /nfs/dbraw/zinc/22/28/58/602222858.db2.gz UTLIGUSOXGLENH-OAHLLOKOSA-N -1 0 370.362 -0.782 20 0 FBADRM CCC[C@@H](NC(=O)[O-])C(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000739304259 602372479 /nfs/dbraw/zinc/37/24/79/602372479.db2.gz FSCXCJVHGBVRHY-GHMZBOCLSA-N -1 0 363.436 -0.426 20 0 FBADRM CCC[C@H](NC(=O)[O-])C(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000739304261 602372307 /nfs/dbraw/zinc/37/23/07/602372307.db2.gz FSCXCJVHGBVRHY-MNOVXSKESA-N -1 0 363.436 -0.426 20 0 FBADRM CCC[C@H](NC(=O)[O-])C(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000739304265 602372545 /nfs/dbraw/zinc/37/25/45/602372545.db2.gz FSCXCJVHGBVRHY-QWRGUYRKSA-N -1 0 363.436 -0.426 20 0 FBADRM CCC[C@@H](NC(=O)[O-])C(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000739304268 602372505 /nfs/dbraw/zinc/37/25/05/602372505.db2.gz FSCXCJVHGBVRHY-WDEREUQCSA-N -1 0 363.436 -0.426 20 0 FBADRM O=C([O-])[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1 ZINC000739308558 599744940 /nfs/dbraw/zinc/74/49/40/599744940.db2.gz LRULTSWAJWPGJA-CYBMUJFWSA-N -1 0 352.368 -0.320 20 0 FBADRM O=C([O-])[C@H](CO)NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1 ZINC000739308559 599744975 /nfs/dbraw/zinc/74/49/75/599744975.db2.gz LRULTSWAJWPGJA-ZDUSSCGKSA-N -1 0 352.368 -0.320 20 0 FBADRM O=C([O-])[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000739309045 599743746 /nfs/dbraw/zinc/74/37/46/599743746.db2.gz MOKIJJOBNYAEQW-SECBINFHSA-N -1 0 371.198 -0.167 20 0 FBADRM O=C([O-])[C@H](CO)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000739309048 599743661 /nfs/dbraw/zinc/74/36/61/599743661.db2.gz MOKIJJOBNYAEQW-VIFPVBQESA-N -1 0 371.198 -0.167 20 0 FBADRM O=C([O-])c1c(F)cccc1NCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000739309550 599857341 /nfs/dbraw/zinc/85/73/41/599857341.db2.gz RYJGMMXQYGIDJJ-MRVPVSSYSA-N -1 0 373.362 -0.051 20 0 FBADRM O=C([O-])c1c(F)cccc1NCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000739309553 599857372 /nfs/dbraw/zinc/85/73/72/599857372.db2.gz RYJGMMXQYGIDJJ-QMMMGPOBSA-N -1 0 373.362 -0.051 20 0 FBADRM O=C([O-])[C@@H](CO)NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000739309726 599744030 /nfs/dbraw/zinc/74/40/30/599744030.db2.gz RAPXATAJKAWGLB-MRVPVSSYSA-N -1 0 371.198 -0.167 20 0 FBADRM O=C([O-])[C@H](CO)NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000739309733 599744119 /nfs/dbraw/zinc/74/41/19/599744119.db2.gz RAPXATAJKAWGLB-QMMMGPOBSA-N -1 0 371.198 -0.167 20 0 FBADRM O=C([O-])[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000739309867 599744105 /nfs/dbraw/zinc/74/41/05/599744105.db2.gz UHZYEMLVXBQZLO-MRVPVSSYSA-N -1 0 370.305 -0.455 20 0 FBADRM O=C([O-])[C@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000739309870 599744058 /nfs/dbraw/zinc/74/40/58/599744058.db2.gz UHZYEMLVXBQZLO-QMMMGPOBSA-N -1 0 370.305 -0.455 20 0 FBADRM O=C([O-])[C@@H](CO)NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000739310271 599744245 /nfs/dbraw/zinc/74/42/45/599744245.db2.gz YWOWRKAVGCRDKK-SECBINFHSA-N -1 0 370.305 -0.455 20 0 FBADRM O=C([O-])[C@H](CO)NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000739310272 599744163 /nfs/dbraw/zinc/74/41/63/599744163.db2.gz YWOWRKAVGCRDKK-VIFPVBQESA-N -1 0 370.305 -0.455 20 0 FBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000739311035 601875121 /nfs/dbraw/zinc/87/51/21/601875121.db2.gz GARFGXOGBOHDNT-LLVKDONJSA-N -1 0 368.390 -0.758 20 0 FBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000739311037 601875033 /nfs/dbraw/zinc/87/50/33/601875033.db2.gz GARFGXOGBOHDNT-NSHDSACASA-N -1 0 368.390 -0.758 20 0 FBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000739312682 601861487 /nfs/dbraw/zinc/86/14/87/601861487.db2.gz KXHLDSMFTNUBSQ-GFCCVEGCSA-N -1 0 354.407 -0.284 20 0 FBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000739312685 601861296 /nfs/dbraw/zinc/86/12/96/601861296.db2.gz KXHLDSMFTNUBSQ-LBPRGKRZSA-N -1 0 354.407 -0.284 20 0 FBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000739313140 602361441 /nfs/dbraw/zinc/36/14/41/602361441.db2.gz MXCAPIDKMRGEQN-CYBMUJFWSA-N -1 0 356.423 -0.574 20 0 FBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000739313143 602361436 /nfs/dbraw/zinc/36/14/36/602361436.db2.gz MXCAPIDKMRGEQN-ZDUSSCGKSA-N -1 0 356.423 -0.574 20 0 FBADRM CCC[C@@H](NC(=O)[O-])C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000739314092 601898522 /nfs/dbraw/zinc/89/85/22/601898522.db2.gz MEEBTVROGRDWBI-LLVKDONJSA-N -1 0 350.441 -0.884 20 0 FBADRM CCC[C@H](NC(=O)[O-])C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000739314096 601898465 /nfs/dbraw/zinc/89/84/65/601898465.db2.gz MEEBTVROGRDWBI-NSHDSACASA-N -1 0 350.441 -0.884 20 0 FBADRM O=C([O-])c1cccc(NC(=O)COC(=O)Cn2ncn3nccc3c2=O)c1 ZINC000739315284 600509353 /nfs/dbraw/zinc/50/93/53/600509353.db2.gz NNKUFJISAXYBHE-UHFFFAOYSA-N -1 0 371.309 -0.229 20 0 FBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000739315314 602346155 /nfs/dbraw/zinc/34/61/55/602346155.db2.gz RSXSWPZPVRLNNQ-CYBMUJFWSA-N -1 0 356.423 -0.574 20 0 FBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000739315317 602346441 /nfs/dbraw/zinc/34/64/41/602346441.db2.gz RSXSWPZPVRLNNQ-ZDUSSCGKSA-N -1 0 356.423 -0.574 20 0 FBADRM CCC[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000739315501 603226105 /nfs/dbraw/zinc/22/61/05/603226105.db2.gz SXSVZBRKXHZSEB-CHWSQXEVSA-N -1 0 356.423 -0.528 20 0 FBADRM CCC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000739315502 603225738 /nfs/dbraw/zinc/22/57/38/603225738.db2.gz SXSVZBRKXHZSEB-OLZOCXBDSA-N -1 0 356.423 -0.528 20 0 FBADRM CCC[C@@H](NC(=O)[O-])C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000739315504 603226173 /nfs/dbraw/zinc/22/61/73/603226173.db2.gz SXSVZBRKXHZSEB-QWHCGFSZSA-N -1 0 356.423 -0.528 20 0 FBADRM CCC[C@H](NC(=O)[O-])C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000739315507 603225787 /nfs/dbraw/zinc/22/57/87/603225787.db2.gz SXSVZBRKXHZSEB-STQMWFEESA-N -1 0 356.423 -0.528 20 0 FBADRM O=C(COC(=O)Cn1ccc(=O)[nH]c1=O)NC1(C(=O)[O-])CCCCC1 ZINC000739315798 599882891 /nfs/dbraw/zinc/88/28/91/599882891.db2.gz PNSSYOMHYWRTEQ-UHFFFAOYSA-N -1 0 353.331 -0.604 20 0 FBADRM CCC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000739318151 602322287 /nfs/dbraw/zinc/32/22/87/602322287.db2.gz XZDGIDUPMNFVHM-QJPTWQEYSA-N -1 0 363.436 -0.963 20 0 FBADRM CCC[C@H](NC(=O)[O-])C(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000739318152 602322523 /nfs/dbraw/zinc/32/25/23/602322523.db2.gz XZDGIDUPMNFVHM-SDDRHHMPSA-N -1 0 363.436 -0.963 20 0 FBADRM CCC[C@H](NC(=O)[O-])C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000739318153 602322521 /nfs/dbraw/zinc/32/25/21/602322521.db2.gz XZDGIDUPMNFVHM-SRVKXCTJSA-N -1 0 363.436 -0.963 20 0 FBADRM CCC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000739318154 602322784 /nfs/dbraw/zinc/32/27/84/602322784.db2.gz XZDGIDUPMNFVHM-TUAOUCFPSA-N -1 0 363.436 -0.963 20 0 FBADRM CCC[C@H](NC(=O)[O-])C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000739318901 602516939 /nfs/dbraw/zinc/51/69/39/602516939.db2.gz XVLOYIDXGICJRW-JTQLQIEISA-N -1 0 353.466 -0.083 20 0 FBADRM CCC[C@@H](NC(=O)[O-])C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000739318903 602516740 /nfs/dbraw/zinc/51/67/40/602516740.db2.gz XVLOYIDXGICJRW-SNVBAGLBSA-N -1 0 353.466 -0.083 20 0 FBADRM O=C([O-])N1CCC[C@@H](NC(=O)COCC(=O)NCc2cccnc2)C1 ZINC000739322421 603187284 /nfs/dbraw/zinc/18/72/84/603187284.db2.gz OPXMRZFQRKNXNJ-CYBMUJFWSA-N -1 0 350.375 -0.027 20 0 FBADRM O=C([O-])N1CCC[C@H](NC(=O)COCC(=O)NCc2cccnc2)C1 ZINC000739322423 605704021 /nfs/dbraw/zinc/70/40/21/605704021.db2.gz OPXMRZFQRKNXNJ-ZDUSSCGKSA-N -1 0 350.375 -0.027 20 0 FBADRM CCC[C@@H](NC(=O)[O-])C(=O)OCCN(C)S(=O)(=O)N1CCOCC1 ZINC000739323948 602684679 /nfs/dbraw/zinc/68/46/79/602684679.db2.gz BHHZSXOZNNBLGU-LLVKDONJSA-N -1 0 367.424 -0.525 20 0 FBADRM CCC[C@H](NC(=O)[O-])C(=O)OCCN(C)S(=O)(=O)N1CCOCC1 ZINC000739323949 602684664 /nfs/dbraw/zinc/68/46/64/602684664.db2.gz BHHZSXOZNNBLGU-NSHDSACASA-N -1 0 367.424 -0.525 20 0 FBADRM CCCCCS(=O)(=O)CC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739326286 602240491 /nfs/dbraw/zinc/24/04/91/602240491.db2.gz DOLOGYVWMCYPOL-UHFFFAOYSA-N -1 0 363.436 -0.470 20 0 FBADRM CCCCNC(=O)[C@@H]1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739329598 603020776 /nfs/dbraw/zinc/02/07/76/603020776.db2.gz ALNYPNVOLWOHOI-CYBMUJFWSA-N -1 0 368.434 -0.037 20 0 FBADRM CCCCNC(=O)[C@H]1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739329599 603020827 /nfs/dbraw/zinc/02/08/27/603020827.db2.gz ALNYPNVOLWOHOI-ZDUSSCGKSA-N -1 0 368.434 -0.037 20 0 FBADRM CCCCNC(=O)C1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000739331541 603015075 /nfs/dbraw/zinc/01/50/75/603015075.db2.gz KTTOQPPCZZEISI-UHFFFAOYSA-N -1 0 368.434 -0.037 20 0 FBADRM CCCCNC(=O)CN1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739332173 602827792 /nfs/dbraw/zinc/82/77/92/602827792.db2.gz NLEMFYSYXICYAR-CYBMUJFWSA-N -1 0 356.423 -0.574 20 0 FBADRM CCCCNC(=O)CN1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000739332174 602827636 /nfs/dbraw/zinc/82/76/36/602827636.db2.gz NLEMFYSYXICYAR-ZDUSSCGKSA-N -1 0 356.423 -0.574 20 0 FBADRM CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000739332282 597044895 /nfs/dbraw/zinc/04/48/95/597044895.db2.gz BNAJTYILSWXJMP-UHFFFAOYSA-N -1 0 357.388 -0.096 20 0 FBADRM CCC[C@@H](NC(=O)[O-])C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000739332938 602670027 /nfs/dbraw/zinc/67/00/27/602670027.db2.gz ZFDHCVCCQWXRPL-SECBINFHSA-N -1 0 367.362 -0.587 20 0 FBADRM CCC[C@H](NC(=O)[O-])C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000739332943 602670109 /nfs/dbraw/zinc/67/01/09/602670109.db2.gz ZFDHCVCCQWXRPL-VIFPVBQESA-N -1 0 367.362 -0.587 20 0 FBADRM CCCCNC(=O)[C@H]1CSCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739334644 603004422 /nfs/dbraw/zinc/00/44/22/603004422.db2.gz ZVOOTRURVTZKLZ-LLVKDONJSA-N -1 0 372.447 -0.374 20 0 FBADRM CCCCNC(=O)[C@@H]1CSCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739334646 603004491 /nfs/dbraw/zinc/00/44/91/603004491.db2.gz ZVOOTRURVTZKLZ-NSHDSACASA-N -1 0 372.447 -0.374 20 0 FBADRM O=C([O-])[C@@H](NC(=O)CSCC(=O)N1CCOCC1)c1ccccn1 ZINC000739338623 601124134 /nfs/dbraw/zinc/12/41/34/601124134.db2.gz UPNZFOGQYSEIJN-AWEZNQCLSA-N -1 0 353.400 -0.085 20 0 FBADRM O=C([O-])[C@H](NC(=O)CSCC(=O)N1CCOCC1)c1ccccn1 ZINC000739338624 601124156 /nfs/dbraw/zinc/12/41/56/601124156.db2.gz UPNZFOGQYSEIJN-CQSZACIVSA-N -1 0 353.400 -0.085 20 0 FBADRM CCCN(C(=O)CN1CCN(C(=O)[O-])CC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000739343096 602984595 /nfs/dbraw/zinc/98/45/95/602984595.db2.gz JBKMTHLFJKAISB-LLVKDONJSA-N -1 0 361.420 -0.766 20 0 FBADRM CCCN(C(=O)CN1CCN(C(=O)[O-])CC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000739343101 602984803 /nfs/dbraw/zinc/98/48/03/602984803.db2.gz JBKMTHLFJKAISB-NSHDSACASA-N -1 0 361.420 -0.766 20 0 FBADRM CCCN(C(=O)CN1CCN(CC)C(=O)C1=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739343194 602516519 /nfs/dbraw/zinc/51/65/19/602516519.db2.gz KFDXMYORSSQMKM-GFCCVEGCSA-N -1 0 354.407 -0.332 20 0 FBADRM CCCN(C(=O)CN1CCN(CC)C(=O)C1=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739343197 602516465 /nfs/dbraw/zinc/51/64/65/602516465.db2.gz KFDXMYORSSQMKM-LBPRGKRZSA-N -1 0 354.407 -0.332 20 0 FBADRM CCCN(C(=O)CCn1cc(S(N)(=O)=O)cn1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739343200 602518707 /nfs/dbraw/zinc/51/87/07/602518707.db2.gz KFYSTBQADACSOB-LLVKDONJSA-N -1 0 373.435 -0.089 20 0 FBADRM CCCN(C(=O)CCn1cc(S(N)(=O)=O)cn1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739343202 602518671 /nfs/dbraw/zinc/51/86/71/602518671.db2.gz KFYSTBQADACSOB-NSHDSACASA-N -1 0 373.435 -0.089 20 0 FBADRM CCCN(C(=S)NCCNS(C)(=O)=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739343722 602430976 /nfs/dbraw/zinc/43/09/76/602430976.db2.gz FRICMLGQJOGTCS-JTQLQIEISA-N -1 0 352.482 -0.126 20 0 FBADRM CCCN(C(=S)NCCNS(C)(=O)=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739343724 602430934 /nfs/dbraw/zinc/43/09/34/602430934.db2.gz FRICMLGQJOGTCS-SNVBAGLBSA-N -1 0 352.482 -0.126 20 0 FBADRM CCCN(C(=O)c1cn(CC(=O)N(C)C)nn1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739344245 602518034 /nfs/dbraw/zinc/51/80/34/602518034.db2.gz HFJWMXWQJKCQCU-LLVKDONJSA-N -1 0 352.395 -0.029 20 0 FBADRM CCCN(C(=O)c1cn(CC(=O)N(C)C)nn1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739344248 602518076 /nfs/dbraw/zinc/51/80/76/602518076.db2.gz HFJWMXWQJKCQCU-NSHDSACASA-N -1 0 352.395 -0.029 20 0 FBADRM CCCN(C)C(=O)[C@H]1CSCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739344318 603004353 /nfs/dbraw/zinc/00/43/53/603004353.db2.gz IBFSYZKAOJLTFH-LLVKDONJSA-N -1 0 372.447 -0.422 20 0 FBADRM CCCN(C)C(=O)[C@@H]1CSCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739344327 603004426 /nfs/dbraw/zinc/00/44/26/603004426.db2.gz IBFSYZKAOJLTFH-NSHDSACASA-N -1 0 372.447 -0.422 20 0 FBADRM CCCN(C(=O)CNS(=O)(=O)c1cnn(C)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739344892 602515948 /nfs/dbraw/zinc/51/59/48/602515948.db2.gz QMSYEODUKFXCRJ-LLVKDONJSA-N -1 0 373.435 -0.311 20 0 FBADRM CCCN(C(=O)CNS(=O)(=O)c1cnn(C)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739344894 602515975 /nfs/dbraw/zinc/51/59/75/602515975.db2.gz QMSYEODUKFXCRJ-NSHDSACASA-N -1 0 373.435 -0.311 20 0 FBADRM O=C([O-])[C@H](CO)NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000739345097 599744046 /nfs/dbraw/zinc/74/40/46/599744046.db2.gz GMGYKPKSMWKSNE-AWEZNQCLSA-N -1 0 370.427 -0.035 20 0 FBADRM O=C([O-])[C@@H](CO)NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000739345099 599744140 /nfs/dbraw/zinc/74/41/40/599744140.db2.gz GMGYKPKSMWKSNE-CQSZACIVSA-N -1 0 370.427 -0.035 20 0 FBADRM CCCN(C(=O)C1CCN(S(N)(=O)=O)CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739347424 602515684 /nfs/dbraw/zinc/51/56/84/602515684.db2.gz COULLFNLRSLDHE-GFCCVEGCSA-N -1 0 362.452 -0.107 20 0 FBADRM CCCN(C(=O)C1CCN(S(N)(=O)=O)CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739347428 602515693 /nfs/dbraw/zinc/51/56/93/602515693.db2.gz COULLFNLRSLDHE-LBPRGKRZSA-N -1 0 362.452 -0.107 20 0 FBADRM CCCN([C@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000739349217 602551796 /nfs/dbraw/zinc/55/17/96/602551796.db2.gz KWGRHQAQRBCZQG-JTQLQIEISA-N -1 0 374.419 -0.763 20 0 FBADRM CCCN([C@@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000739349218 602551772 /nfs/dbraw/zinc/55/17/72/602551772.db2.gz KWGRHQAQRBCZQG-SNVBAGLBSA-N -1 0 374.419 -0.763 20 0 FBADRM CCCN(C(=O)[C@@H](C)OC(=O)CN(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000739350360 602210428 /nfs/dbraw/zinc/21/04/28/602210428.db2.gz LASXHWFLODBOOU-GHMZBOCLSA-N -1 0 364.420 -0.046 20 0 FBADRM CCCN(C(=O)[C@@H](C)OC(=O)CN(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000739350362 602210492 /nfs/dbraw/zinc/21/04/92/602210492.db2.gz LASXHWFLODBOOU-MNOVXSKESA-N -1 0 364.420 -0.046 20 0 FBADRM CCCN(C(=O)[C@H](C)OC(=O)CN(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000739350364 602210445 /nfs/dbraw/zinc/21/04/45/602210445.db2.gz LASXHWFLODBOOU-QWRGUYRKSA-N -1 0 364.420 -0.046 20 0 FBADRM CCCN(C(=O)[C@H](C)OC(=O)CN(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000739350365 602210415 /nfs/dbraw/zinc/21/04/15/602210415.db2.gz LASXHWFLODBOOU-WDEREUQCSA-N -1 0 364.420 -0.046 20 0 FBADRM CCCN(CC(=O)OC)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739353645 603046514 /nfs/dbraw/zinc/04/65/14/603046514.db2.gz LMJFJDQFKINUTN-UHFFFAOYSA-N -1 0 356.379 -0.107 20 0 FBADRM CCCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739354868 602546965 /nfs/dbraw/zinc/54/69/65/602546965.db2.gz UMKWJFBUWHKMPC-JTQLQIEISA-N -1 0 367.406 -0.687 20 0 FBADRM CCCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739354869 602547066 /nfs/dbraw/zinc/54/70/66/602547066.db2.gz UMKWJFBUWHKMPC-SNVBAGLBSA-N -1 0 367.406 -0.687 20 0 FBADRM O=C([O-])c1cn(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)nn1 ZINC000739356904 599769255 /nfs/dbraw/zinc/76/92/55/599769255.db2.gz SKWASYGIRVYDGZ-UHFFFAOYSA-N -1 0 373.369 -0.235 20 0 FBADRM O=C([O-])c1ccc(=O)n(CC(=O)NCCOc2ccc3c(c2)OCO3)n1 ZINC000739357739 600519884 /nfs/dbraw/zinc/51/98/84/600519884.db2.gz AUJCMOJZULQLDK-UHFFFAOYSA-N -1 0 361.310 -0.135 20 0 FBADRM O=C([O-])c1ccc(OCCNC(=O)Cn2ncn3nccc3c2=O)cc1 ZINC000739358063 600480605 /nfs/dbraw/zinc/48/06/05/600480605.db2.gz HKOLETFCGULGEK-UHFFFAOYSA-N -1 0 357.326 -0.216 20 0 FBADRM CCCNC(=O)NC(=O)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739361738 603295284 /nfs/dbraw/zinc/29/52/84/603295284.db2.gz ICQMXFXFJQHFMZ-UHFFFAOYSA-N -1 0 355.351 -0.713 20 0 FBADRM CCCNC(=O)NC(=O)COC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739362507 603277888 /nfs/dbraw/zinc/27/78/88/603277888.db2.gz ORSOMHAEDXRLCU-UHFFFAOYSA-N -1 0 358.395 -0.160 20 0 FBADRM CCCNC(=O)[C@@H]1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739363475 603020790 /nfs/dbraw/zinc/02/07/90/603020790.db2.gz JITJPEHDEQKODB-GFCCVEGCSA-N -1 0 354.407 -0.427 20 0 FBADRM CCCNC(=O)[C@H]1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739363480 603020970 /nfs/dbraw/zinc/02/09/70/603020970.db2.gz JITJPEHDEQKODB-LBPRGKRZSA-N -1 0 354.407 -0.427 20 0 FBADRM CCCNC(=O)CN1CCC(NC(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739365016 602844828 /nfs/dbraw/zinc/84/48/28/602844828.db2.gz FFYSFZOABVLCPK-CYBMUJFWSA-N -1 0 356.423 -0.528 20 0 FBADRM CCCNC(=O)CN1CCC(NC(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000739365017 602844837 /nfs/dbraw/zinc/84/48/37/602844837.db2.gz FFYSFZOABVLCPK-ZDUSSCGKSA-N -1 0 356.423 -0.528 20 0 FBADRM CCCNC(=O)CN1CCC(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000739366009 603087226 /nfs/dbraw/zinc/08/72/26/603087226.db2.gz KGIVERAOGTUIQQ-CHWSQXEVSA-N -1 0 356.423 -0.794 20 0 FBADRM CCCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000739366013 603087038 /nfs/dbraw/zinc/08/70/38/603087038.db2.gz KGIVERAOGTUIQQ-OLZOCXBDSA-N -1 0 356.423 -0.794 20 0 FBADRM CCCNC(=O)CN1CCC(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000739366015 603087017 /nfs/dbraw/zinc/08/70/17/603087017.db2.gz KGIVERAOGTUIQQ-QWHCGFSZSA-N -1 0 356.423 -0.794 20 0 FBADRM CCCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000739366017 603087107 /nfs/dbraw/zinc/08/71/07/603087107.db2.gz KGIVERAOGTUIQQ-STQMWFEESA-N -1 0 356.423 -0.794 20 0 FBADRM CCCNC(=O)C1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000739366739 602987663 /nfs/dbraw/zinc/98/76/63/602987663.db2.gz OFDWLNOPPPRBHU-UHFFFAOYSA-N -1 0 354.407 -0.427 20 0 FBADRM CCCNC(=O)CCCC(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739367978 602569348 /nfs/dbraw/zinc/56/93/48/602569348.db2.gz RHMLCVDOCDPLMU-UHFFFAOYSA-N -1 0 356.423 -0.037 20 0 FBADRM CCCNC(=O)CN(CCC)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739368055 602019459 /nfs/dbraw/zinc/01/94/59/602019459.db2.gz SCORZNWJTMKVOD-UHFFFAOYSA-N -1 0 371.438 -0.244 20 0 FBADRM O=C([O-])c1ccc(-c2nnn(CC(=O)NCC(=O)N3CCCC3)n2)cc1 ZINC000739368935 600990391 /nfs/dbraw/zinc/99/03/91/600990391.db2.gz NJVDKXGJNRWPPC-UHFFFAOYSA-N -1 0 358.358 -0.223 20 0 FBADRM O=C([O-])[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000739370036 599744244 /nfs/dbraw/zinc/74/42/44/599744244.db2.gz DXCYAHYBEPJOAB-GXSJLCMTSA-N -1 0 350.327 -0.628 20 0 FBADRM O=C([O-])[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000739370039 599744156 /nfs/dbraw/zinc/74/41/56/599744156.db2.gz DXCYAHYBEPJOAB-KOLCDFICSA-N -1 0 350.327 -0.628 20 0 FBADRM O=C([O-])[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000739370041 599744103 /nfs/dbraw/zinc/74/41/03/599744103.db2.gz DXCYAHYBEPJOAB-MWLCHTKSSA-N -1 0 350.327 -0.628 20 0 FBADRM O=C([O-])[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000739370044 599744052 /nfs/dbraw/zinc/74/40/52/599744052.db2.gz DXCYAHYBEPJOAB-ONGXEEELSA-N -1 0 350.327 -0.628 20 0 FBADRM O=C([O-])[C@H](CO)NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000739370601 599744987 /nfs/dbraw/zinc/74/49/87/599744987.db2.gz HYPRYNOFQGASGA-AAEUAGOBSA-N -1 0 372.399 -0.681 20 0 FBADRM O=C([O-])[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000739370603 599744879 /nfs/dbraw/zinc/74/48/79/599744879.db2.gz HYPRYNOFQGASGA-DGCLKSJQSA-N -1 0 372.399 -0.681 20 0 FBADRM O=C([O-])[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000739370607 599744885 /nfs/dbraw/zinc/74/48/85/599744885.db2.gz HYPRYNOFQGASGA-WCQYABFASA-N -1 0 372.399 -0.681 20 0 FBADRM O=C([O-])[C@H](CO)NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000739370608 599744781 /nfs/dbraw/zinc/74/47/81/599744781.db2.gz HYPRYNOFQGASGA-YPMHNXCESA-N -1 0 372.399 -0.681 20 0 FBADRM CCCS(=O)(=O)NC1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739371527 602843008 /nfs/dbraw/zinc/84/30/08/602843008.db2.gz BVHREWKBLLAHND-GFCCVEGCSA-N -1 0 363.436 -0.314 20 0 FBADRM CCCS(=O)(=O)NC1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000739371531 602843212 /nfs/dbraw/zinc/84/32/12/602843212.db2.gz BVHREWKBLLAHND-LBPRGKRZSA-N -1 0 363.436 -0.314 20 0 FBADRM O=C([O-])[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000739372289 599744924 /nfs/dbraw/zinc/74/49/24/599744924.db2.gz RHBQLWVMBHUEKX-CYBMUJFWSA-N -1 0 368.367 -0.067 20 0 FBADRM O=C([O-])[C@H](CO)NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000739372291 599744911 /nfs/dbraw/zinc/74/49/11/599744911.db2.gz RHBQLWVMBHUEKX-ZDUSSCGKSA-N -1 0 368.367 -0.067 20 0 FBADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cn1 ZINC000739373119 600185599 /nfs/dbraw/zinc/18/55/99/600185599.db2.gz CPTIITJTURFUQH-CYBMUJFWSA-N -1 0 362.386 -0.557 20 0 FBADRM O=C([O-])c1ccc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)cn1 ZINC000739373123 600185677 /nfs/dbraw/zinc/18/56/77/600185677.db2.gz CPTIITJTURFUQH-ZDUSSCGKSA-N -1 0 362.386 -0.557 20 0 FBADRM O=C([O-])N1CCC[C@@H](NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000739373229 603266041 /nfs/dbraw/zinc/26/60/41/603266041.db2.gz HDBPAJMFABDFNN-GFCCVEGCSA-N -1 0 367.406 -0.739 20 0 FBADRM O=C([O-])N1CCC[C@H](NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000739373233 605668430 /nfs/dbraw/zinc/66/84/30/605668430.db2.gz HDBPAJMFABDFNN-LBPRGKRZSA-N -1 0 367.406 -0.739 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739373682 602846815 /nfs/dbraw/zinc/84/68/15/602846815.db2.gz MAUWKWUSUKWOPB-GFCCVEGCSA-N -1 0 363.436 -0.314 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000739373685 602846691 /nfs/dbraw/zinc/84/66/91/602846691.db2.gz MAUWKWUSUKWOPB-LBPRGKRZSA-N -1 0 363.436 -0.314 20 0 FBADRM O=C([O-])[C@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000739373950 599745827 /nfs/dbraw/zinc/74/58/27/599745827.db2.gz YXWNGBATCPOUNJ-GWCFXTLKSA-N -1 0 374.390 -0.212 20 0 FBADRM O=C([O-])[C@@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000739373952 599745837 /nfs/dbraw/zinc/74/58/37/599745837.db2.gz YXWNGBATCPOUNJ-GXFFZTMASA-N -1 0 374.390 -0.212 20 0 FBADRM O=C([O-])[C@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000739373953 599745847 /nfs/dbraw/zinc/74/58/47/599745847.db2.gz YXWNGBATCPOUNJ-MFKMUULPSA-N -1 0 374.390 -0.212 20 0 FBADRM O=C([O-])[C@@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000739373955 599745825 /nfs/dbraw/zinc/74/58/25/599745825.db2.gz YXWNGBATCPOUNJ-ZWNOBZJWSA-N -1 0 374.390 -0.212 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000739374517 603069349 /nfs/dbraw/zinc/06/93/49/603069349.db2.gz PBDIXYVKFROQKN-NEPJUHHUSA-N -1 0 363.436 -0.580 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000739374521 603069402 /nfs/dbraw/zinc/06/94/02/603069402.db2.gz PBDIXYVKFROQKN-NWDGAFQWSA-N -1 0 363.436 -0.580 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000739374524 603069106 /nfs/dbraw/zinc/06/91/06/603069106.db2.gz PBDIXYVKFROQKN-RYUDHWBXSA-N -1 0 363.436 -0.580 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000739374527 603069519 /nfs/dbraw/zinc/06/95/19/603069519.db2.gz PBDIXYVKFROQKN-VXGBXAGGSA-N -1 0 363.436 -0.580 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)CN(CCOC)C(=O)[O-])CC1 ZINC000739374588 603106941 /nfs/dbraw/zinc/10/69/41/603106941.db2.gz PISNSNOIDYXQTK-UHFFFAOYSA-N -1 0 365.452 -0.067 20 0 FBADRM O=C([O-])C1CCC(NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000739374663 600030161 /nfs/dbraw/zinc/03/01/61/600030161.db2.gz YLZUZUPDBXCRSY-UHFFFAOYSA-N -1 0 366.418 -0.238 20 0 FBADRM CCCS(=O)(=O)NC1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000739375008 602660244 /nfs/dbraw/zinc/66/02/44/602660244.db2.gz SJPQVCXQVUMSPJ-UHFFFAOYSA-N -1 0 351.425 -0.409 20 0 FBADRM CCCS(=O)(=O)NC1CCN(C(=O)CN(CCOC)C(=O)[O-])CC1 ZINC000739375024 603091264 /nfs/dbraw/zinc/09/12/64/603091264.db2.gz SWEUTMOCGPHUPA-UHFFFAOYSA-N -1 0 365.452 -0.067 20 0 FBADRM CCCS(=O)(=O)NC1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000739375828 603085835 /nfs/dbraw/zinc/08/58/35/603085835.db2.gz YMZIUMCEBLYGPG-NEPJUHHUSA-N -1 0 363.436 -0.580 20 0 FBADRM CCCS(=O)(=O)NC1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000739375829 603085574 /nfs/dbraw/zinc/08/55/74/603085574.db2.gz YMZIUMCEBLYGPG-NWDGAFQWSA-N -1 0 363.436 -0.580 20 0 FBADRM CCCS(=O)(=O)NC1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000739375830 603085912 /nfs/dbraw/zinc/08/59/12/603085912.db2.gz YMZIUMCEBLYGPG-RYUDHWBXSA-N -1 0 363.436 -0.580 20 0 FBADRM CCCS(=O)(=O)NC1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000739375831 603085431 /nfs/dbraw/zinc/08/54/31/603085431.db2.gz YMZIUMCEBLYGPG-VXGBXAGGSA-N -1 0 363.436 -0.580 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)COCCNC(=O)[O-])CC1 ZINC000739375863 602660841 /nfs/dbraw/zinc/66/08/41/602660841.db2.gz ZIMPJHXJIBZSJR-UHFFFAOYSA-N -1 0 351.425 -0.409 20 0 FBADRM CCN(C(=O)[C@@H](C)OC(=O)CN(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000739378678 602210504 /nfs/dbraw/zinc/21/05/04/602210504.db2.gz VPXYUAOQBLBPON-NXEZZACHSA-N -1 0 350.393 -0.437 20 0 FBADRM CCN(C(=O)[C@H](C)OC(=O)CN(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000739378679 602210453 /nfs/dbraw/zinc/21/04/53/602210453.db2.gz VPXYUAOQBLBPON-UWVGGRQHSA-N -1 0 350.393 -0.437 20 0 FBADRM CCN(C(=O)[C@H](C)OC(=O)CN(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000739378680 602210493 /nfs/dbraw/zinc/21/04/93/602210493.db2.gz VPXYUAOQBLBPON-VHSXEESVSA-N -1 0 350.393 -0.437 20 0 FBADRM CCN(C(=O)[C@@H](C)OC(=O)CN(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000739378681 602210299 /nfs/dbraw/zinc/21/02/99/602210299.db2.gz VPXYUAOQBLBPON-ZJUUUORDSA-N -1 0 350.393 -0.437 20 0 FBADRM CCCn1c(N)c(N(CCOC)C(=O)CN(C)C(=O)[O-])c(=O)[nH]c1=O ZINC000739378768 603331539 /nfs/dbraw/zinc/33/15/39/603331539.db2.gz WGBYHIZPMILXAZ-UHFFFAOYSA-N -1 0 357.367 -0.470 20 0 FBADRM CCN(C)C(=O)[C@@H]1CSCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739379781 603004401 /nfs/dbraw/zinc/00/44/01/603004401.db2.gz GKPQOXPQDVAHQH-JTQLQIEISA-N -1 0 358.420 -0.812 20 0 FBADRM CCN(C)C(=O)[C@H]1CSCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739379786 603004446 /nfs/dbraw/zinc/00/44/46/603004446.db2.gz GKPQOXPQDVAHQH-SNVBAGLBSA-N -1 0 358.420 -0.812 20 0 FBADRM CCN(C(=O)CN1CC[C@H](CN(C)C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000739380425 602537146 /nfs/dbraw/zinc/53/71/46/602537146.db2.gz JPNMCQBBEFGJPQ-CHWSQXEVSA-N -1 0 361.464 -0.046 20 0 FBADRM CCN(C(=O)CN1CC[C@H](CN(C)C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000739380427 602537106 /nfs/dbraw/zinc/53/71/06/602537106.db2.gz JPNMCQBBEFGJPQ-OLZOCXBDSA-N -1 0 361.464 -0.046 20 0 FBADRM CCN(C(=O)CN1CC[C@@H](CN(C)C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000739380429 602536971 /nfs/dbraw/zinc/53/69/71/602536971.db2.gz JPNMCQBBEFGJPQ-QWHCGFSZSA-N -1 0 361.464 -0.046 20 0 FBADRM CCN(C(=O)CN1CC[C@@H](CN(C)C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000739380430 602536713 /nfs/dbraw/zinc/53/67/13/602536713.db2.gz JPNMCQBBEFGJPQ-STQMWFEESA-N -1 0 361.464 -0.046 20 0 FBADRM CCN(C(=O)COC(=O)[C@@H]1CCN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000739380461 602893790 /nfs/dbraw/zinc/89/37/90/602893790.db2.gz KELNPJCLYLKPAZ-GHMZBOCLSA-N -1 0 362.404 -0.435 20 0 FBADRM CCN(C(=O)COC(=O)[C@@H]1CCN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000739380464 602893805 /nfs/dbraw/zinc/89/38/05/602893805.db2.gz KELNPJCLYLKPAZ-MNOVXSKESA-N -1 0 362.404 -0.435 20 0 FBADRM CCN(C(=O)COC(=O)[C@H]1CCN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000739380465 602893874 /nfs/dbraw/zinc/89/38/74/602893874.db2.gz KELNPJCLYLKPAZ-QWRGUYRKSA-N -1 0 362.404 -0.435 20 0 FBADRM CCN(C(=O)COC(=O)[C@H]1CCN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000739380466 602893793 /nfs/dbraw/zinc/89/37/93/602893793.db2.gz KELNPJCLYLKPAZ-WDEREUQCSA-N -1 0 362.404 -0.435 20 0 FBADRM CCN(C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1)[C@@H]1CC(=O)NC1=O ZINC000739380544 601850351 /nfs/dbraw/zinc/85/03/51/601850351.db2.gz LPHSEZPQVHFTCP-LLVKDONJSA-N -1 0 364.362 -0.530 20 0 FBADRM CCN(C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1)[C@H]1CC(=O)NC1=O ZINC000739380545 601850265 /nfs/dbraw/zinc/85/02/65/601850265.db2.gz LPHSEZPQVHFTCP-NSHDSACASA-N -1 0 364.362 -0.530 20 0 FBADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cn1 ZINC000739381961 600024596 /nfs/dbraw/zinc/02/45/96/600024596.db2.gz YKNIVOQEFZTZSL-CHWSQXEVSA-N -1 0 369.399 -0.993 20 0 FBADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cn1 ZINC000739381970 600024292 /nfs/dbraw/zinc/02/42/92/600024292.db2.gz YKNIVOQEFZTZSL-OLZOCXBDSA-N -1 0 369.399 -0.993 20 0 FBADRM O=C([O-])c1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cn1 ZINC000739381974 600024606 /nfs/dbraw/zinc/02/46/06/600024606.db2.gz YKNIVOQEFZTZSL-QWHCGFSZSA-N -1 0 369.399 -0.993 20 0 FBADRM O=C([O-])c1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cn1 ZINC000739381979 600024613 /nfs/dbraw/zinc/02/46/13/600024613.db2.gz YKNIVOQEFZTZSL-STQMWFEESA-N -1 0 369.399 -0.993 20 0 FBADRM CCN(C(=O)NCCN1CCN(C(=O)[O-])CC1)[C@H](C)CS(C)(=O)=O ZINC000739382075 602740478 /nfs/dbraw/zinc/74/04/78/602740478.db2.gz OPVYIKICKMJOOA-GFCCVEGCSA-N -1 0 364.468 -0.253 20 0 FBADRM CCN(C(=O)NCCN1CCN(C(=O)[O-])CC1)[C@@H](C)CS(C)(=O)=O ZINC000739382085 602740570 /nfs/dbraw/zinc/74/05/70/602740570.db2.gz OPVYIKICKMJOOA-LBPRGKRZSA-N -1 0 364.468 -0.253 20 0 FBADRM O=C([O-])N1CCC[C@@H](NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 ZINC000739382336 603193391 /nfs/dbraw/zinc/19/33/91/603193391.db2.gz BBOLORSGECODTQ-LLVKDONJSA-N -1 0 354.388 -0.257 20 0 FBADRM O=C([O-])N1CCC[C@H](NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 ZINC000739382337 605709963 /nfs/dbraw/zinc/70/99/63/605709963.db2.gz BBOLORSGECODTQ-NSHDSACASA-N -1 0 354.388 -0.257 20 0 FBADRM O=C([O-])N1CCC[C@H](NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC000739382396 605703836 /nfs/dbraw/zinc/70/38/36/605703836.db2.gz HBFYPGFSMBEGBA-JTQLQIEISA-N -1 0 354.388 -0.257 20 0 FBADRM O=C([O-])N1CCC[C@@H](NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC000739382399 603217300 /nfs/dbraw/zinc/21/73/00/603217300.db2.gz HBFYPGFSMBEGBA-SNVBAGLBSA-N -1 0 354.388 -0.257 20 0 FBADRM CCN(C(=O)CN1CCN(C(=O)[O-])CC1=O)[C@H](C)CS(=O)(=O)CC ZINC000739382805 603005600 /nfs/dbraw/zinc/00/56/00/603005600.db2.gz WDPNPVWPNZSYNK-LLVKDONJSA-N -1 0 363.436 -0.520 20 0 FBADRM CCN(C(=O)CN1CCN(C(=O)[O-])CC1=O)[C@@H](C)CS(=O)(=O)CC ZINC000739382807 603005825 /nfs/dbraw/zinc/00/58/25/603005825.db2.gz WDPNPVWPNZSYNK-NSHDSACASA-N -1 0 363.436 -0.520 20 0 FBADRM O=C([O-])N1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000739383147 605695956 /nfs/dbraw/zinc/69/59/56/605695956.db2.gz USLLVYCESUFDNS-KBPBESRZSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000739383148 605695999 /nfs/dbraw/zinc/69/59/99/605695999.db2.gz USLLVYCESUFDNS-KGLIPLIRSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000739383150 603191771 /nfs/dbraw/zinc/19/17/71/603191771.db2.gz USLLVYCESUFDNS-UONOGXRCSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000739383151 603191819 /nfs/dbraw/zinc/19/18/19/603191819.db2.gz USLLVYCESUFDNS-ZIAGYGMSSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000739383380 603216270 /nfs/dbraw/zinc/21/62/70/603216270.db2.gz ZSNDINLZAWIHDY-IJLUTSLNSA-N -1 0 373.431 -0.719 20 0 FBADRM O=C([O-])N1CCC[C@@H](NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000739383382 603216162 /nfs/dbraw/zinc/21/61/62/603216162.db2.gz ZSNDINLZAWIHDY-QJPTWQEYSA-N -1 0 373.431 -0.719 20 0 FBADRM O=C([O-])N1CCC[C@@H](NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000739383385 603216047 /nfs/dbraw/zinc/21/60/47/603216047.db2.gz ZSNDINLZAWIHDY-TUAOUCFPSA-N -1 0 373.431 -0.719 20 0 FBADRM O=C([O-])N1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000739383388 603215891 /nfs/dbraw/zinc/21/58/91/603215891.db2.gz ZSNDINLZAWIHDY-UTUOFQBUSA-N -1 0 373.431 -0.719 20 0 FBADRM CCN(C1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1)S(C)(=O)=O ZINC000739384061 661792442 /nfs/dbraw/zinc/79/24/42/661792442.db2.gz BSTHRQHOOQGAJK-GFCCVEGCSA-N -1 0 363.436 -0.362 20 0 FBADRM CCN(C1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1)S(C)(=O)=O ZINC000739384062 661792314 /nfs/dbraw/zinc/79/23/14/661792314.db2.gz BSTHRQHOOQGAJK-LBPRGKRZSA-N -1 0 363.436 -0.362 20 0 FBADRM CCN(C1CCN(C(=O)COCCNC(=O)[O-])CC1)S(C)(=O)=O ZINC000739384536 602667446 /nfs/dbraw/zinc/66/74/46/602667446.db2.gz HJMLQNCZIPDYIZ-UHFFFAOYSA-N -1 0 351.425 -0.457 20 0 FBADRM CCN(C1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1)S(C)(=O)=O ZINC000739384906 603097623 /nfs/dbraw/zinc/09/76/23/603097623.db2.gz MJXPQGGJRXCCJU-NEPJUHHUSA-N -1 0 363.436 -0.628 20 0 FBADRM CCN(C1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1)S(C)(=O)=O ZINC000739384907 603097565 /nfs/dbraw/zinc/09/75/65/603097565.db2.gz MJXPQGGJRXCCJU-NWDGAFQWSA-N -1 0 363.436 -0.628 20 0 FBADRM CCN(C1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1)S(C)(=O)=O ZINC000739384908 603097193 /nfs/dbraw/zinc/09/71/93/603097193.db2.gz MJXPQGGJRXCCJU-RYUDHWBXSA-N -1 0 363.436 -0.628 20 0 FBADRM CCN(C1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1)S(C)(=O)=O ZINC000739384909 603097061 /nfs/dbraw/zinc/09/70/61/603097061.db2.gz MJXPQGGJRXCCJU-VXGBXAGGSA-N -1 0 363.436 -0.628 20 0 FBADRM CCN(C1CCN(C(=O)CN(CCOC)C(=O)[O-])CC1)S(C)(=O)=O ZINC000739385253 603112076 /nfs/dbraw/zinc/11/20/76/603112076.db2.gz QNBKZBYQMMPWMD-UHFFFAOYSA-N -1 0 365.452 -0.115 20 0 FBADRM CCN(CC(=O)NC(C)C)C(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739390506 603157103 /nfs/dbraw/zinc/15/71/03/603157103.db2.gz UHBFYYICVGZCIC-GHMZBOCLSA-N -1 0 359.379 -0.984 20 0 FBADRM CCN(CC(=O)NC(C)C)C(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739390507 603156982 /nfs/dbraw/zinc/15/69/82/603156982.db2.gz UHBFYYICVGZCIC-MNOVXSKESA-N -1 0 359.379 -0.984 20 0 FBADRM CCN(CC(=O)NC(C)C)C(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739390508 603156768 /nfs/dbraw/zinc/15/67/68/603156768.db2.gz UHBFYYICVGZCIC-QWRGUYRKSA-N -1 0 359.379 -0.984 20 0 FBADRM CCN(CC(=O)NC(C)C)C(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739390509 603156851 /nfs/dbraw/zinc/15/68/51/603156851.db2.gz UHBFYYICVGZCIC-WDEREUQCSA-N -1 0 359.379 -0.984 20 0 FBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739390750 603203620 /nfs/dbraw/zinc/20/36/20/603203620.db2.gz BDJMQTQQMPBRCH-GHMZBOCLSA-N -1 0 361.420 -0.862 20 0 FBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739390751 603203756 /nfs/dbraw/zinc/20/37/56/603203756.db2.gz BDJMQTQQMPBRCH-MNOVXSKESA-N -1 0 361.420 -0.862 20 0 FBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739390753 603203586 /nfs/dbraw/zinc/20/35/86/603203586.db2.gz BDJMQTQQMPBRCH-QWRGUYRKSA-N -1 0 361.420 -0.862 20 0 FBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739390754 603203582 /nfs/dbraw/zinc/20/35/82/603203582.db2.gz BDJMQTQQMPBRCH-WDEREUQCSA-N -1 0 361.420 -0.862 20 0 FBADRM CCN(CC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)C(=O)[O-] ZINC000739391844 603390914 /nfs/dbraw/zinc/39/09/14/603390914.db2.gz DMECZYVJHYOMAR-LLVKDONJSA-N -1 0 351.425 -0.409 20 0 FBADRM CCN(CC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)C(=O)[O-] ZINC000739391845 603390992 /nfs/dbraw/zinc/39/09/92/603390992.db2.gz DMECZYVJHYOMAR-NSHDSACASA-N -1 0 351.425 -0.409 20 0 FBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CC(C)(C)NC(=O)[O-] ZINC000739392446 661792413 /nfs/dbraw/zinc/79/24/13/661792413.db2.gz KHWNIQIOECMWEO-JTQLQIEISA-N -1 0 363.436 -0.426 20 0 FBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CC(C)(C)NC(=O)[O-] ZINC000739392447 661792457 /nfs/dbraw/zinc/79/24/57/661792457.db2.gz KHWNIQIOECMWEO-SNVBAGLBSA-N -1 0 363.436 -0.426 20 0 FBADRM CCN(CC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000739392583 603430172 /nfs/dbraw/zinc/43/01/72/603430172.db2.gz KLSYYYJUXODFNU-UHFFFAOYSA-N -1 0 364.406 -0.369 20 0 FBADRM CCN(CC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)C(=O)[O-] ZINC000739393126 603380643 /nfs/dbraw/zinc/38/06/43/603380643.db2.gz GIPAUDRHAASFGT-UHFFFAOYSA-N -1 0 370.431 -0.018 20 0 FBADRM CCN(CC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)C(=O)[O-] ZINC000739393458 603011873 /nfs/dbraw/zinc/01/18/73/603011873.db2.gz QPXMJHWJFWFWRW-UHFFFAOYSA-N -1 0 373.435 -0.311 20 0 FBADRM CCN(CC(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1)C(=O)[O-] ZINC000739393460 603431578 /nfs/dbraw/zinc/43/15/78/603431578.db2.gz QSNAKDJIDWJRKM-UHFFFAOYSA-N -1 0 372.403 -0.351 20 0 FBADRM CCN(CC(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1)C(=O)[O-] ZINC000739393512 603377035 /nfs/dbraw/zinc/37/70/35/603377035.db2.gz JDDOVIYSEDPURT-UHFFFAOYSA-N -1 0 350.441 -0.283 20 0 FBADRM CCN(CC(=O)N1CCN(CC(=O)Nc2nncs2)CC1)C(=O)[O-] ZINC000739393598 602758253 /nfs/dbraw/zinc/75/82/53/602758253.db2.gz KLSOCAPJXDILOR-UHFFFAOYSA-N -1 0 356.408 -0.379 20 0 FBADRM CCN(CC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)[O-] ZINC000739393978 603381771 /nfs/dbraw/zinc/38/17/71/603381771.db2.gz JMBRDJSBARDXPG-UHFFFAOYSA-N -1 0 362.386 -0.125 20 0 FBADRM CCN(CC(=O)OCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739399542 602815302 /nfs/dbraw/zinc/81/53/02/602815302.db2.gz MXBSODGWPMOVKR-JTQLQIEISA-N -1 0 350.393 -0.435 20 0 FBADRM CCN(CC(=O)OCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739399543 602815119 /nfs/dbraw/zinc/81/51/19/602815119.db2.gz MXBSODGWPMOVKR-SNVBAGLBSA-N -1 0 350.393 -0.435 20 0 FBADRM CCN(CC)C(=O)C1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000739401963 603020770 /nfs/dbraw/zinc/02/07/70/603020770.db2.gz GYDADBDQQINMEN-UHFFFAOYSA-N -1 0 368.434 -0.084 20 0 FBADRM CCN(CC(=O)O[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739402539 602813316 /nfs/dbraw/zinc/81/33/16/602813316.db2.gz LJZHUJRGDSLSQE-NXEZZACHSA-N -1 0 350.393 -0.437 20 0 FBADRM CCN(CC(=O)O[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739402542 602813358 /nfs/dbraw/zinc/81/33/58/602813358.db2.gz LJZHUJRGDSLSQE-UWVGGRQHSA-N -1 0 350.393 -0.437 20 0 FBADRM CCN(CC(=O)O[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739402546 602813272 /nfs/dbraw/zinc/81/32/72/602813272.db2.gz LJZHUJRGDSLSQE-VHSXEESVSA-N -1 0 350.393 -0.437 20 0 FBADRM CCN(CC(=O)O[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739402550 602813472 /nfs/dbraw/zinc/81/34/72/602813472.db2.gz LJZHUJRGDSLSQE-ZJUUUORDSA-N -1 0 350.393 -0.437 20 0 FBADRM CCN(CC)C(=O)[C@H]1CCCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739402717 603028370 /nfs/dbraw/zinc/02/83/70/603028370.db2.gz LFWKSVWIRUESOH-GFCCVEGCSA-N -1 0 354.407 -0.332 20 0 FBADRM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739402720 603028562 /nfs/dbraw/zinc/02/85/62/603028562.db2.gz LFWKSVWIRUESOH-LBPRGKRZSA-N -1 0 354.407 -0.332 20 0 FBADRM CCN(CC)C(=O)CCCC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739403217 602326026 /nfs/dbraw/zinc/32/60/26/602326026.db2.gz OOVMFHAVLGNJLT-UHFFFAOYSA-N -1 0 356.423 -0.037 20 0 FBADRM CCN(CC)C(=O)[C@H]1CSCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739404033 603000999 /nfs/dbraw/zinc/00/09/99/603000999.db2.gz TYOKNQRSPIJQKP-LLVKDONJSA-N -1 0 372.447 -0.422 20 0 FBADRM CCN(CC)C(=O)[C@@H]1CSCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739404034 603001211 /nfs/dbraw/zinc/00/12/11/603001211.db2.gz TYOKNQRSPIJQKP-NSHDSACASA-N -1 0 372.447 -0.422 20 0 FBADRM CCN(CC(=O)O[C@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739404054 602818914 /nfs/dbraw/zinc/81/89/14/602818914.db2.gz TYAFYWGYFVTPJZ-GHMZBOCLSA-N -1 0 364.420 -0.046 20 0 FBADRM CCN(CC(=O)O[C@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739404056 602818983 /nfs/dbraw/zinc/81/89/83/602818983.db2.gz TYAFYWGYFVTPJZ-MNOVXSKESA-N -1 0 364.420 -0.046 20 0 FBADRM CCN(CC(=O)O[C@@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739404058 602818853 /nfs/dbraw/zinc/81/88/53/602818853.db2.gz TYAFYWGYFVTPJZ-QWRGUYRKSA-N -1 0 364.420 -0.046 20 0 FBADRM CCN(CC(=O)O[C@@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000739404060 602818764 /nfs/dbraw/zinc/81/87/64/602818764.db2.gz TYAFYWGYFVTPJZ-WDEREUQCSA-N -1 0 364.420 -0.046 20 0 FBADRM CCN(CC(=O)O[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C)C(=O)[O-] ZINC000739404831 602813211 /nfs/dbraw/zinc/81/32/11/602813211.db2.gz ZSXHGIWKNWMYMX-CMPLNLGQSA-N -1 0 364.420 -0.143 20 0 FBADRM CCN(CC(=O)O[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C)C(=O)[O-] ZINC000739404833 602813591 /nfs/dbraw/zinc/81/35/91/602813591.db2.gz ZSXHGIWKNWMYMX-JQWIXIFHSA-N -1 0 364.420 -0.143 20 0 FBADRM CCN(CC(=O)O[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C)C(=O)[O-] ZINC000739404834 602813522 /nfs/dbraw/zinc/81/35/22/602813522.db2.gz ZSXHGIWKNWMYMX-PWSUYJOCSA-N -1 0 364.420 -0.143 20 0 FBADRM CCN(CC(=O)O[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C)C(=O)[O-] ZINC000739404836 602813364 /nfs/dbraw/zinc/81/33/64/602813364.db2.gz ZSXHGIWKNWMYMX-ZYHUDNBSSA-N -1 0 364.420 -0.143 20 0 FBADRM CCN(CC(=O)OCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)[O-] ZINC000739404919 602815816 /nfs/dbraw/zinc/81/58/16/602815816.db2.gz ABPKGFSZQXJUOQ-UHFFFAOYSA-N -1 0 367.362 -0.633 20 0 FBADRM CCN(CC(=O)OCCN(C)S(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000739405019 602867677 /nfs/dbraw/zinc/86/76/77/602867677.db2.gz BKZFOBFZZOFMAB-UHFFFAOYSA-N -1 0 353.397 -0.962 20 0 FBADRM CCN(CC(=O)OCC(=O)Nc1ccccc1S(N)(=O)=O)C(=O)[O-] ZINC000739405989 602815916 /nfs/dbraw/zinc/81/59/16/602815916.db2.gz NCHIVYXPHJLBFY-UHFFFAOYSA-N -1 0 359.360 -0.184 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC2(O)CCOCC2)c2ccccc2O1 ZINC000739406976 600341393 /nfs/dbraw/zinc/34/13/93/600341393.db2.gz MKPASHKQICPZTM-CYBMUJFWSA-N -1 0 364.354 -0.477 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC2(O)CCOCC2)c2ccccc2O1 ZINC000739406978 600341386 /nfs/dbraw/zinc/34/13/86/600341386.db2.gz MKPASHKQICPZTM-ZDUSSCGKSA-N -1 0 364.354 -0.477 20 0 FBADRM CCN(CC)C(=O)N1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000739407448 603015487 /nfs/dbraw/zinc/01/54/87/603015487.db2.gz BBIAUBLEBWIIAI-UHFFFAOYSA-N -1 0 369.422 -0.585 20 0 FBADRM CCN(CC)C(=O)CN1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000739407484 603076622 /nfs/dbraw/zinc/07/66/22/603076622.db2.gz BXGBPPQJTYORBO-CHWSQXEVSA-N -1 0 356.423 -0.888 20 0 FBADRM CCN(CC)C(=O)CN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000739407485 603076383 /nfs/dbraw/zinc/07/63/83/603076383.db2.gz BXGBPPQJTYORBO-OLZOCXBDSA-N -1 0 356.423 -0.888 20 0 FBADRM CCN(CC)C(=O)CN1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000739407486 603077154 /nfs/dbraw/zinc/07/71/54/603077154.db2.gz BXGBPPQJTYORBO-QWHCGFSZSA-N -1 0 356.423 -0.888 20 0 FBADRM CCN(CC)C(=O)CN1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000739407487 603077445 /nfs/dbraw/zinc/07/74/45/603077445.db2.gz BXGBPPQJTYORBO-STQMWFEESA-N -1 0 356.423 -0.888 20 0 FBADRM CCN(CC(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000739407574 602815081 /nfs/dbraw/zinc/81/50/81/602815081.db2.gz ZVHNKGQAAJKCJN-UHFFFAOYSA-N -1 0 359.360 -0.184 20 0 FBADRM CCN(CC(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000739407575 602818245 /nfs/dbraw/zinc/81/82/45/602818245.db2.gz ZYDJYRYJYPKKCX-UHFFFAOYSA-N -1 0 359.360 -0.184 20 0 FBADRM CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000739408968 602903558 /nfs/dbraw/zinc/90/35/58/602903558.db2.gz QGLUAAZKCKEJHT-AWEZNQCLSA-N -1 0 370.450 -0.232 20 0 FBADRM CCN(CC)C(=O)CN1CCCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739408969 602903721 /nfs/dbraw/zinc/90/37/21/602903721.db2.gz QGLUAAZKCKEJHT-CQSZACIVSA-N -1 0 370.450 -0.232 20 0 FBADRM CCN(CC)C(=O)CN1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739409864 602831835 /nfs/dbraw/zinc/83/18/35/602831835.db2.gz YIMJMYYUIUDGHG-CYBMUJFWSA-N -1 0 356.423 -0.622 20 0 FBADRM CCN(CC)C(=O)CN1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000739409866 602832051 /nfs/dbraw/zinc/83/20/51/602832051.db2.gz YIMJMYYUIUDGHG-ZDUSSCGKSA-N -1 0 356.423 -0.622 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739410497 603119686 /nfs/dbraw/zinc/11/96/86/603119686.db2.gz HLRYPMXAQSOZDL-UHFFFAOYSA-N -1 0 364.468 -0.540 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739410569 603209343 /nfs/dbraw/zinc/20/93/43/603209343.db2.gz ALBGZHFLEUKKOK-GFCCVEGCSA-N -1 0 362.452 -0.283 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739410570 603209213 /nfs/dbraw/zinc/20/92/13/603209213.db2.gz ALBGZHFLEUKKOK-LBPRGKRZSA-N -1 0 362.452 -0.283 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)NCCCNC(=O)[O-])CC1 ZINC000739410933 602404566 /nfs/dbraw/zinc/40/45/66/602404566.db2.gz GRNJSZDUIGDJCK-UHFFFAOYSA-N -1 0 365.456 -0.442 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1 ZINC000739412068 597046967 /nfs/dbraw/zinc/04/69/67/597046967.db2.gz QPGQVDUBITZXBN-UHFFFAOYSA-N -1 0 357.388 -0.144 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000739412666 661792344 /nfs/dbraw/zinc/79/23/44/661792344.db2.gz VEJCXLSINAJNKE-UHFFFAOYSA-N -1 0 353.466 -0.465 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)NCCN(C)C(=O)[O-])CC1 ZINC000739412757 602442498 /nfs/dbraw/zinc/44/24/98/602442498.db2.gz XUTPZPKOHAYIRI-UHFFFAOYSA-N -1 0 365.456 -0.490 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000739413004 602659068 /nfs/dbraw/zinc/65/90/68/602659068.db2.gz ZMYALVXSKOFWBN-UHFFFAOYSA-N -1 0 366.440 -0.999 20 0 FBADRM O=C([O-])c1cc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)ccc1F ZINC000739415038 600323866 /nfs/dbraw/zinc/32/38/66/600323866.db2.gz BHSLYROWJYPBHL-UHFFFAOYSA-N -1 0 366.305 -0.480 20 0 FBADRM O=C([O-])c1ccc(F)c(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)c1 ZINC000739415158 599883077 /nfs/dbraw/zinc/88/30/77/599883077.db2.gz FMZALSYMROKIKH-UHFFFAOYSA-N -1 0 366.305 -0.480 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)c(F)c1 ZINC000739415535 600301396 /nfs/dbraw/zinc/30/13/96/600301396.db2.gz IZQJFHXRUGGXRZ-UHFFFAOYSA-N -1 0 367.333 -0.173 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)c(F)c1 ZINC000739415613 600323601 /nfs/dbraw/zinc/32/36/01/600323601.db2.gz NZXWAVSPUHOPTI-UHFFFAOYSA-N -1 0 366.305 -0.480 20 0 FBADRM CCN(CCC(=O)OC)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739415834 603051459 /nfs/dbraw/zinc/05/14/59/603051459.db2.gz USZOEVDJTLXNJL-UHFFFAOYSA-N -1 0 356.379 -0.107 20 0 FBADRM O=C([O-])c1cc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)ccc1F ZINC000739416038 600301409 /nfs/dbraw/zinc/30/14/09/600301409.db2.gz UXYIRONWBRERLB-UHFFFAOYSA-N -1 0 367.333 -0.173 20 0 FBADRM CCN(CCCNC(=O)N1CC[C@H](CNC(=O)[O-])C1)S(C)(=O)=O ZINC000739417043 602106679 /nfs/dbraw/zinc/10/66/79/602106679.db2.gz LVOWMIZCPMESDM-LLVKDONJSA-N -1 0 350.441 -0.043 20 0 FBADRM CCN(CCCNC(=O)N1CC[C@@H](CNC(=O)[O-])C1)S(C)(=O)=O ZINC000739417044 602106582 /nfs/dbraw/zinc/10/65/82/602106582.db2.gz LVOWMIZCPMESDM-NSHDSACASA-N -1 0 350.441 -0.043 20 0 FBADRM CCN(CCCNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000739418194 602758176 /nfs/dbraw/zinc/75/81/76/602758176.db2.gz QRXWBJAVFOMRCV-UHFFFAOYSA-N -1 0 372.403 -0.221 20 0 FBADRM CCN(CCCNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000739418488 602758557 /nfs/dbraw/zinc/75/85/57/602758557.db2.gz UEFPRBCETFSVMG-UHFFFAOYSA-N -1 0 372.403 -0.070 20 0 FBADRM CCN(CCCNC(=O)CNS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000739418530 602024789 /nfs/dbraw/zinc/02/47/89/602024789.db2.gz UYQHJVLRXSHUDI-UHFFFAOYSA-N -1 0 361.424 -0.487 20 0 FBADRM CCN(CCNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)C(=O)[O-] ZINC000739418685 602770146 /nfs/dbraw/zinc/77/01/46/602770146.db2.gz AEXHDTYVAVFNAD-UHFFFAOYSA-N -1 0 363.374 -0.068 20 0 FBADRM CCN(CCNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F)C(=O)[O-] ZINC000739418745 602771417 /nfs/dbraw/zinc/77/14/17/602771417.db2.gz CTZSQPVHLMOTOT-UHFFFAOYSA-N -1 0 365.325 -0.144 20 0 FBADRM CCN(CCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000739418980 602771556 /nfs/dbraw/zinc/77/15/56/602771556.db2.gz GSDHSOHWCFOEEK-UHFFFAOYSA-N -1 0 362.342 -0.033 20 0 FBADRM O=C([O-])c1ccc(F)c(NC(=O)C(=O)NCCN2C(=O)CNC2=O)c1 ZINC000739419213 600240020 /nfs/dbraw/zinc/24/00/20/600240020.db2.gz CHTJUNTWTHPMHU-UHFFFAOYSA-N -1 0 352.278 -0.870 20 0 FBADRM CCN(CCCNC(=O)NCC1(O)CCS(=O)(=O)CC1)C(=O)[O-] ZINC000739419435 603122827 /nfs/dbraw/zinc/12/28/27/603122827.db2.gz GQUHEGQKFXBOGP-UHFFFAOYSA-N -1 0 351.425 -0.385 20 0 FBADRM CCN(CCNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000739419543 602771992 /nfs/dbraw/zinc/77/19/92/602771992.db2.gz RMXNVRDDJHZFJX-UHFFFAOYSA-N -1 0 358.376 -0.611 20 0 FBADRM CCN(CCNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000739419563 602573537 /nfs/dbraw/zinc/57/35/37/602573537.db2.gz SLTFWZLYVYWVFD-UHFFFAOYSA-N -1 0 358.376 -0.611 20 0 FBADRM CCN(CCNC(=O)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)C(=O)[O-] ZINC000739419569 602770630 /nfs/dbraw/zinc/77/06/30/602770630.db2.gz SWESAOVOEASTOD-UHFFFAOYSA-N -1 0 372.403 -0.303 20 0 FBADRM O=C([O-])c1cc(Cl)cc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)c1 ZINC000739419654 600324618 /nfs/dbraw/zinc/32/46/18/600324618.db2.gz JJXIQWUUCZXDCM-UHFFFAOYSA-N -1 0 368.733 -0.355 20 0 FBADRM CCN(CCNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000739419802 602774011 /nfs/dbraw/zinc/77/40/11/602774011.db2.gz WEMNWIBFMFMKHN-UHFFFAOYSA-N -1 0 358.376 -0.460 20 0 FBADRM CCN(CCNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)C(=O)[O-] ZINC000739419955 602164046 /nfs/dbraw/zinc/16/40/46/602164046.db2.gz DCEMWSYZWDMQRN-UHFFFAOYSA-N -1 0 352.351 -0.589 20 0 FBADRM O=C([O-])c1cc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)c(F)cc1F ZINC000739420013 600240189 /nfs/dbraw/zinc/24/01/89/600240189.db2.gz LSNYMCCHHUUUAX-UHFFFAOYSA-N -1 0 370.268 -0.731 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)c(F)c1 ZINC000739420082 600316999 /nfs/dbraw/zinc/31/69/99/600316999.db2.gz NLMXCVNFHZSQFJ-UHFFFAOYSA-N -1 0 373.362 -0.386 20 0 FBADRM O=C([O-])c1ccc(Cl)c(NC(=O)C(=O)NCCN2C(=O)CNC2=O)c1 ZINC000739420438 600240221 /nfs/dbraw/zinc/24/02/21/600240221.db2.gz SQLDEBOXAFQMNR-UHFFFAOYSA-N -1 0 368.733 -0.355 20 0 FBADRM O=C([O-])c1cc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)ccc1F ZINC000739420454 600317092 /nfs/dbraw/zinc/31/70/92/600317092.db2.gz SYXTZZWEXAMXHE-UHFFFAOYSA-N -1 0 373.362 -0.386 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)c(F)c1 ZINC000739420496 600324482 /nfs/dbraw/zinc/32/44/82/600324482.db2.gz UQLWNAGIXUFVOD-UHFFFAOYSA-N -1 0 352.278 -0.870 20 0 FBADRM CCN(CCCNC(=O)NCCC(=O)N1CCN(C(C)=O)CC1)C(=O)[O-] ZINC000739420856 602612171 /nfs/dbraw/zinc/61/21/71/602612171.db2.gz YGKAKFDIPUBURR-UHFFFAOYSA-N -1 0 371.438 -0.244 20 0 FBADRM CCN(CCNC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)[O-] ZINC000739421211 602471735 /nfs/dbraw/zinc/47/17/35/602471735.db2.gz OYVWJEOMSMROIM-UHFFFAOYSA-N -1 0 355.372 -0.053 20 0 FBADRM CCN(CCNC(=O)C(=O)Nc1cccnc1N1CCOCC1)C(=O)[O-] ZINC000739421853 602772838 /nfs/dbraw/zinc/77/28/38/602772838.db2.gz ANFDRUXZOVKDPY-UHFFFAOYSA-N -1 0 365.390 -0.027 20 0 FBADRM CCN(CCNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000739421890 602313692 /nfs/dbraw/zinc/31/36/92/602313692.db2.gz AWNWQKNJSALKPS-GHMZBOCLSA-N -1 0 361.420 -0.862 20 0 FBADRM CCN(CCNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000739421895 602314386 /nfs/dbraw/zinc/31/43/86/602314386.db2.gz AWNWQKNJSALKPS-MNOVXSKESA-N -1 0 361.420 -0.862 20 0 FBADRM CCN(CCNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000739421900 602314371 /nfs/dbraw/zinc/31/43/71/602314371.db2.gz AWNWQKNJSALKPS-QWRGUYRKSA-N -1 0 361.420 -0.862 20 0 FBADRM CCN(CCNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000739421904 602314356 /nfs/dbraw/zinc/31/43/56/602314356.db2.gz AWNWQKNJSALKPS-WDEREUQCSA-N -1 0 361.420 -0.862 20 0 FBADRM O=C([O-])c1cc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)ccc1F ZINC000739422557 600351018 /nfs/dbraw/zinc/35/10/18/600351018.db2.gz BEYDDZRUIPPHBS-UHFFFAOYSA-N -1 0 351.290 -0.272 20 0 FBADRM CCN(CCNC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000739423165 602472988 /nfs/dbraw/zinc/47/29/88/602472988.db2.gz COKKYCRNOUPKLS-UHFFFAOYSA-N -1 0 361.424 -0.487 20 0 FBADRM CCN(CCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC000739423364 602472936 /nfs/dbraw/zinc/47/29/36/602472936.db2.gz MGGMQCOPOVDCGR-CYBMUJFWSA-N -1 0 356.423 -0.717 20 0 FBADRM CCN(CCNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC000739423458 602472851 /nfs/dbraw/zinc/47/28/51/602472851.db2.gz MGGMQCOPOVDCGR-ZDUSSCGKSA-N -1 0 356.423 -0.717 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)c(F)c1 ZINC000739423472 600350993 /nfs/dbraw/zinc/35/09/93/600350993.db2.gz NEGPYCROUNAHSV-UHFFFAOYSA-N -1 0 351.290 -0.272 20 0 FBADRM O=C([O-])c1cc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)c(F)cc1F ZINC000739423583 600351048 /nfs/dbraw/zinc/35/10/48/600351048.db2.gz QUVQNEPBACSXSX-UHFFFAOYSA-N -1 0 369.280 -0.133 20 0 FBADRM CCN(CCNC(=O)C1CCN(c2ccc3nnnn3n2)CC1)C(=O)[O-] ZINC000739423750 602471740 /nfs/dbraw/zinc/47/17/40/602471740.db2.gz JRMKWMCPRIYYJO-UHFFFAOYSA-N -1 0 362.394 -0.148 20 0 FBADRM O=C([O-])c1ccc(F)c(NC(=O)C(=O)NCCN2C(=O)CCC2=O)c1 ZINC000739424161 600350946 /nfs/dbraw/zinc/35/09/46/600350946.db2.gz WWCSGFKKEIWJLL-UHFFFAOYSA-N -1 0 351.290 -0.272 20 0 FBADRM CCN(CCNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C(=O)[O-] ZINC000739424592 661792476 /nfs/dbraw/zinc/79/24/76/661792476.db2.gz CRWQKRMEOAWPNN-UHFFFAOYSA-N -1 0 355.395 -0.881 20 0 FBADRM CCN(CCNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000739424734 602496138 /nfs/dbraw/zinc/49/61/38/602496138.db2.gz PUJLKZPKGZCENJ-AWEZNQCLSA-N -1 0 370.450 -0.184 20 0 FBADRM CCN(CCNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000739424740 602495988 /nfs/dbraw/zinc/49/59/88/602495988.db2.gz PUJLKZPKGZCENJ-CQSZACIVSA-N -1 0 370.450 -0.184 20 0 FBADRM CCN(CCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O)C(=O)[O-] ZINC000739425073 602315186 /nfs/dbraw/zinc/31/51/86/602315186.db2.gz KJWGCOPLDVLZRZ-UHFFFAOYSA-N -1 0 363.168 -0.173 20 0 FBADRM CCN(CCNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000739425667 602315510 /nfs/dbraw/zinc/31/55/10/602315510.db2.gz YBDZAROQBXBIOT-JTQLQIEISA-N -1 0 374.419 -0.732 20 0 FBADRM CCN(CCNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000739425668 602315581 /nfs/dbraw/zinc/31/55/81/602315581.db2.gz YBDZAROQBXBIOT-SNVBAGLBSA-N -1 0 374.419 -0.732 20 0 FBADRM O=C([O-])c1ccc(OCCNC(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000739425746 600178592 /nfs/dbraw/zinc/17/85/92/600178592.db2.gz HUUIKSALUPAFLQ-UHFFFAOYSA-N -1 0 350.331 -0.385 20 0 FBADRM CCN(CCNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000739426079 602446679 /nfs/dbraw/zinc/44/66/79/602446679.db2.gz KEJZSULIHDXLFO-UHFFFAOYSA-N -1 0 369.422 -0.538 20 0 FBADRM CCN(CCNC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)C(=O)[O-] ZINC000739426532 661792361 /nfs/dbraw/zinc/79/23/61/661792361.db2.gz LFRJTBVSZFIJHJ-LLVKDONJSA-N -1 0 350.441 -0.043 20 0 FBADRM CCN(CCNC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)C(=O)[O-] ZINC000739426534 661792490 /nfs/dbraw/zinc/79/24/90/661792490.db2.gz LFRJTBVSZFIJHJ-NSHDSACASA-N -1 0 350.441 -0.043 20 0 FBADRM CCN(CCNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C(=O)[O-] ZINC000739426714 602445611 /nfs/dbraw/zinc/44/56/11/602445611.db2.gz OIRZJLOAHKJSNO-UHFFFAOYSA-N -1 0 371.438 -0.828 20 0 FBADRM CCN(CCNC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1)C(=O)[O-] ZINC000739427305 602445640 /nfs/dbraw/zinc/44/56/40/602445640.db2.gz RZQIDFBLFHNDET-UHFFFAOYSA-N -1 0 357.411 -0.635 20 0 FBADRM O=C([O-])N1CCC[C@@H](NC(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000739428462 603257705 /nfs/dbraw/zinc/25/77/05/603257705.db2.gz DGPYAPIRTAODEJ-LLVKDONJSA-N -1 0 364.424 -0.910 20 0 FBADRM O=C([O-])N1CCC[C@H](NC(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000739428463 605649432 /nfs/dbraw/zinc/64/94/32/605649432.db2.gz DGPYAPIRTAODEJ-NSHDSACASA-N -1 0 364.424 -0.910 20 0 FBADRM O=C([O-])C1CCC(NC(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000739428752 600022059 /nfs/dbraw/zinc/02/20/59/600022059.db2.gz MFFFLLRYTJEMLF-UHFFFAOYSA-N -1 0 363.436 -0.409 20 0 FBADRM O=C([O-])c1ccc(CNC(=O)NCCS(=O)(=O)N2CCOCC2)o1 ZINC000739429304 600531353 /nfs/dbraw/zinc/53/13/53/600531353.db2.gz RGNUYRADGUMXNU-UHFFFAOYSA-N -1 0 361.376 -0.561 20 0 FBADRM CCN(CCNC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)C(=O)[O-] ZINC000739429479 602445935 /nfs/dbraw/zinc/44/59/35/602445935.db2.gz MXRKAZLTWCJDQG-GFCCVEGCSA-N -1 0 355.439 -0.019 20 0 FBADRM CCN(CCNC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)C(=O)[O-] ZINC000739429480 602446030 /nfs/dbraw/zinc/44/60/30/602446030.db2.gz MXRKAZLTWCJDQG-LBPRGKRZSA-N -1 0 355.439 -0.019 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCCNc2cnccn2)c2ccccc2O1 ZINC000739429551 600332638 /nfs/dbraw/zinc/33/26/38/600332638.db2.gz XWAFSQACGQRIII-CYBMUJFWSA-N -1 0 371.353 -0.117 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCNc2cnccn2)c2ccccc2O1 ZINC000739429553 600332753 /nfs/dbraw/zinc/33/27/53/600332753.db2.gz XWAFSQACGQRIII-ZDUSSCGKSA-N -1 0 371.353 -0.117 20 0 FBADRM CCN(CCNC(=O)N1CCN(Cc2nnc(C)n2C)CC1)C(=O)[O-] ZINC000739429794 603147196 /nfs/dbraw/zinc/14/71/96/603147196.db2.gz OBRXWNBMFSDUHH-UHFFFAOYSA-N -1 0 353.427 -0.049 20 0 FBADRM CCN(CCNC(=O)N1CCN(CC(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000739430224 602445806 /nfs/dbraw/zinc/44/58/06/602445806.db2.gz SDFXLJPACODOHP-UHFFFAOYSA-N -1 0 355.439 -0.064 20 0 FBADRM CCN(CCNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C(=O)[O-] ZINC000739430233 602445916 /nfs/dbraw/zinc/44/59/16/602445916.db2.gz SKZULIPPIFSCJX-UHFFFAOYSA-N -1 0 371.438 -0.828 20 0 FBADRM CCN(CCNC(=O)NCCC(=O)N1CCN(C(C)=O)CC1)C(=O)[O-] ZINC000739430282 602600737 /nfs/dbraw/zinc/60/07/37/602600737.db2.gz FVCWMURTBDBRIW-UHFFFAOYSA-N -1 0 357.411 -0.634 20 0 FBADRM CCN(CCNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)C(=O)[O-] ZINC000739430639 602445928 /nfs/dbraw/zinc/44/59/28/602445928.db2.gz UBHGSKQOPPWGNF-UHFFFAOYSA-N -1 0 351.429 -0.880 20 0 FBADRM CCN(CCNC(=O)NC1CCN(CCS(C)(=O)=O)CC1)C(=O)[O-] ZINC000739431179 602749818 /nfs/dbraw/zinc/74/98/18/602749818.db2.gz KLTJZKOATBINDT-UHFFFAOYSA-N -1 0 364.468 -0.206 20 0 FBADRM CCN(CCNC(=O)N1CCN(c2ccc3nncn3n2)CC1)C(=O)[O-] ZINC000739431287 603373662 /nfs/dbraw/zinc/37/36/62/603373662.db2.gz XKZVUMDPLAKBRE-UHFFFAOYSA-N -1 0 362.394 -0.044 20 0 FBADRM CCN(CCNC(=O)NCCS(=O)(=O)N1CCSCC1)C(=O)[O-] ZINC000739431496 602544910 /nfs/dbraw/zinc/54/49/10/602544910.db2.gz QJZLNIXYLRVXSZ-UHFFFAOYSA-N -1 0 368.481 -0.336 20 0 FBADRM CCN(CCNC(=O)NCC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000739431881 602441267 /nfs/dbraw/zinc/44/12/67/602441267.db2.gz NNBIIGFCYYOFIB-UHFFFAOYSA-N -1 0 350.441 -0.043 20 0 FBADRM CCN(CCNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C(=O)[O-] ZINC000739432632 603347796 /nfs/dbraw/zinc/34/77/96/603347796.db2.gz CJSKQFFEZXDBSX-UHFFFAOYSA-N -1 0 368.394 -0.137 20 0 FBADRM CCN(CCNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000739434114 602586642 /nfs/dbraw/zinc/58/66/42/602586642.db2.gz UFQRPOIIMDGQCR-UHFFFAOYSA-N -1 0 364.362 -0.246 20 0 FBADRM CCN(CCNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000739434594 602472684 /nfs/dbraw/zinc/47/26/84/602472684.db2.gz AQBFPRUYRFSAJH-UHFFFAOYSA-N -1 0 351.363 -0.695 20 0 FBADRM CCN(CCNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1)C(=O)[O-] ZINC000739435101 602831754 /nfs/dbraw/zinc/83/17/54/602831754.db2.gz LRKHITQJNWPHKM-UHFFFAOYSA-N -1 0 363.374 -0.330 20 0 FBADRM CCN(CCNS(=O)(=O)c1cccc(S(=O)(=O)NC)c1)C(=O)[O-] ZINC000739438170 602552365 /nfs/dbraw/zinc/55/23/65/602552365.db2.gz AAGQUAPBRFHTKA-UHFFFAOYSA-N -1 0 365.433 -0.127 20 0 FBADRM CCN(CCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000739438306 602552351 /nfs/dbraw/zinc/55/23/51/602552351.db2.gz DEIWCUUTYFVERZ-UHFFFAOYSA-N -1 0 351.406 -0.388 20 0 FBADRM CCN(CCNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000739438342 602552387 /nfs/dbraw/zinc/55/23/87/602552387.db2.gz DZDJDHUCORJGOV-UHFFFAOYSA-N -1 0 351.406 -0.388 20 0 FBADRM CCN(CCNS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1)C(=O)[O-] ZINC000739438779 602552569 /nfs/dbraw/zinc/55/25/69/602552569.db2.gz IXCGHUNRTHBWNO-UHFFFAOYSA-N -1 0 365.433 -0.127 20 0 FBADRM CCN(CCNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)[O-] ZINC000739439612 602552577 /nfs/dbraw/zinc/55/25/77/602552577.db2.gz NQVCPICULMAICB-UHFFFAOYSA-N -1 0 356.360 -0.505 20 0 FBADRM CCN(CCNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000739440119 602552042 /nfs/dbraw/zinc/55/20/42/602552042.db2.gz SXZHFUJASPMITO-UHFFFAOYSA-N -1 0 371.375 -0.688 20 0 FBADRM CCN1C(=O)CN(CN2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)C1=O ZINC000739451350 603244121 /nfs/dbraw/zinc/24/41/21/603244121.db2.gz FBSPRTPGLBYWKX-LLVKDONJSA-N -1 0 355.395 -0.676 20 0 FBADRM CCN1C(=O)CN(CN2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)C1=O ZINC000739451351 603243957 /nfs/dbraw/zinc/24/39/57/603243957.db2.gz FBSPRTPGLBYWKX-NSHDSACASA-N -1 0 355.395 -0.676 20 0 FBADRM CCN1C(=O)c2ccc(C(=O)NC3CN(C(=O)[O-])C3)cc2S1(=O)=O ZINC000739451700 604772670 /nfs/dbraw/zinc/77/26/70/604772670.db2.gz JRPHJZLPKNFGSR-UHFFFAOYSA-N -1 0 353.356 -0.057 20 0 FBADRM CCN1CCN(C(=O)CNC(=O)c2csc(CNC(=O)[O-])n2)CC1 ZINC000739453345 602721487 /nfs/dbraw/zinc/72/14/87/602721487.db2.gz GHHBGIPIQJPOFL-UHFFFAOYSA-N -1 0 355.420 -0.195 20 0 FBADRM CCNC(=O)CCC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739454397 602493745 /nfs/dbraw/zinc/49/37/45/602493745.db2.gz BRZCAJOZFBMZTH-CYBMUJFWSA-N -1 0 368.434 -0.037 20 0 FBADRM CCNC(=O)CCC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739454402 602493665 /nfs/dbraw/zinc/49/36/65/602493665.db2.gz BRZCAJOZFBMZTH-ZDUSSCGKSA-N -1 0 368.434 -0.037 20 0 FBADRM CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC(=O)[O-])cc2)CC1 ZINC000739455256 597042676 /nfs/dbraw/zinc/04/26/76/597042676.db2.gz PNZCLBAYFOOPAC-UHFFFAOYSA-N -1 0 362.386 -0.396 20 0 FBADRM CCN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)C1 ZINC000739455453 602948340 /nfs/dbraw/zinc/94/83/40/602948340.db2.gz HOCPRKVMHOADFN-LLVKDONJSA-N -1 0 351.363 -0.053 20 0 FBADRM CCN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)C1 ZINC000739455455 602948232 /nfs/dbraw/zinc/94/82/32/602948232.db2.gz HOCPRKVMHOADFN-NSHDSACASA-N -1 0 351.363 -0.053 20 0 FBADRM CCN1CCN(CC(=O)N[C@](C)(CNC(=O)[O-])CC(C)C)C(=O)C1=O ZINC000739455573 603222575 /nfs/dbraw/zinc/22/25/75/603222575.db2.gz DHIHUFTVHIVSAC-INIZCTEOSA-N -1 0 356.423 -0.134 20 0 FBADRM CCN1CCN(CC(=O)N[C@@](C)(CNC(=O)[O-])CC(C)C)C(=O)C1=O ZINC000739455581 603222534 /nfs/dbraw/zinc/22/25/34/603222534.db2.gz DHIHUFTVHIVSAC-MRXNPFEDSA-N -1 0 356.423 -0.134 20 0 FBADRM CCN1CCN(CC(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)C(=O)C1=O ZINC000739455701 603027938 /nfs/dbraw/zinc/02/79/38/603027938.db2.gz GCACKVLOZLBCCV-CYBMUJFWSA-N -1 0 362.386 -0.198 20 0 FBADRM CCN1CCN(CC(=O)NC[C@H](NC(=O)[O-])c2ccccc2)C(=O)C1=O ZINC000739455704 603028233 /nfs/dbraw/zinc/02/82/33/603028233.db2.gz GCACKVLOZLBCCV-ZDUSSCGKSA-N -1 0 362.386 -0.198 20 0 FBADRM CCN1CCN(CC(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)C(=O)C1=O ZINC000739456269 661792520 /nfs/dbraw/zinc/79/25/20/661792520.db2.gz IFEQLWMCWZSFRM-LLVKDONJSA-N -1 0 354.407 -0.428 20 0 FBADRM CCN1CCN(CC(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)C(=O)C1=O ZINC000739456272 661792720 /nfs/dbraw/zinc/79/27/20/661792720.db2.gz IFEQLWMCWZSFRM-NSHDSACASA-N -1 0 354.407 -0.428 20 0 FBADRM CCN1CCN(C(=O)[C@H](C)N(C)CCN2CCN(C(=O)[O-])CC2)CC1 ZINC000739456528 602872399 /nfs/dbraw/zinc/87/23/99/602872399.db2.gz WOPZLVKJHZBWMR-HNNXBMFYSA-N -1 0 355.483 -0.234 20 0 FBADRM CCN1CCN(C(=O)[C@@H](C)N(C)CCN2CCN(C(=O)[O-])CC2)CC1 ZINC000739456530 602872750 /nfs/dbraw/zinc/87/27/50/602872750.db2.gz WOPZLVKJHZBWMR-OAHLLOKOSA-N -1 0 355.483 -0.234 20 0 FBADRM CCN1CCO[C@H](CN2CCN(C(=O)CN(CCOC)C(=O)[O-])CC2)C1 ZINC000739456745 603110357 /nfs/dbraw/zinc/11/03/57/603110357.db2.gz OZAPIYLJWXDSDH-HNNXBMFYSA-N -1 0 372.466 -0.522 20 0 FBADRM CCN1CCO[C@@H](CN2CCN(C(=O)CN(CCOC)C(=O)[O-])CC2)C1 ZINC000739456746 603111027 /nfs/dbraw/zinc/11/10/27/603111027.db2.gz OZAPIYLJWXDSDH-OAHLLOKOSA-N -1 0 372.466 -0.522 20 0 FBADRM CCN1CCO[C@H](CN2CCN(C(=O)[C@@H]3CCN(C(=O)[O-])C3)CC2)C1 ZINC000739457324 603302825 /nfs/dbraw/zinc/30/28/25/603302825.db2.gz RSLXIGSUZZFBCC-CABCVRRESA-N -1 0 354.451 -0.149 20 0 FBADRM CCN1CCO[C@H](CN2CCN(C(=O)[C@H]3CCN(C(=O)[O-])C3)CC2)C1 ZINC000739457325 603303080 /nfs/dbraw/zinc/30/30/80/603303080.db2.gz RSLXIGSUZZFBCC-GJZGRUSLSA-N -1 0 354.451 -0.149 20 0 FBADRM CCN1CCO[C@@H](CN2CCN(C(=O)[C@@H]3CCN(C(=O)[O-])C3)CC2)C1 ZINC000739457326 603302720 /nfs/dbraw/zinc/30/27/20/603302720.db2.gz RSLXIGSUZZFBCC-HUUCEWRRSA-N -1 0 354.451 -0.149 20 0 FBADRM CCN1CCO[C@@H](CN2CCN(C(=O)[C@H]3CCN(C(=O)[O-])C3)CC2)C1 ZINC000739457327 603302846 /nfs/dbraw/zinc/30/28/46/603302846.db2.gz RSLXIGSUZZFBCC-LSDHHAIUSA-N -1 0 354.451 -0.149 20 0 FBADRM CCN1CCO[C@@H](CNC(=O)N(C)CCN2CCN(C(=O)[O-])CC2)C1 ZINC000739457350 661792696 /nfs/dbraw/zinc/79/26/96/661792696.db2.gz SCMIPFOLSRNFTG-AWEZNQCLSA-N -1 0 357.455 -0.356 20 0 FBADRM CCN1CCO[C@H](CNC(=O)N(C)CCN2CCN(C(=O)[O-])CC2)C1 ZINC000739457352 661792655 /nfs/dbraw/zinc/79/26/55/661792655.db2.gz SCMIPFOLSRNFTG-CQSZACIVSA-N -1 0 357.455 -0.356 20 0 FBADRM CCN1CCO[C@@H](CNC(=O)NCCCN2CCN(C(=O)[O-])CC2)C1 ZINC000739457816 602943834 /nfs/dbraw/zinc/94/38/34/602943834.db2.gz SPWWTMLLQXBKJF-AWEZNQCLSA-N -1 0 357.455 -0.308 20 0 FBADRM CCN1CCO[C@H](CNC(=O)NCCCN2CCN(C(=O)[O-])CC2)C1 ZINC000739457818 602943928 /nfs/dbraw/zinc/94/39/28/602943928.db2.gz SPWWTMLLQXBKJF-CQSZACIVSA-N -1 0 357.455 -0.308 20 0 FBADRM CCNC(=O)c1cccc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000739458643 602992699 /nfs/dbraw/zinc/99/26/99/602992699.db2.gz KBNKZDJTMKSSKP-UHFFFAOYSA-N -1 0 362.386 -0.125 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCCN(C(=O)[O-])C2)CC1 ZINC000739458778 602975056 /nfs/dbraw/zinc/97/50/56/602975056.db2.gz ADPUBAASNDGQAY-CYBMUJFWSA-N -1 0 355.439 -0.018 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)N[C@H]2CCCCN(C(=O)[O-])C2)CC1 ZINC000739458781 602975050 /nfs/dbraw/zinc/97/50/50/602975050.db2.gz ADPUBAASNDGQAY-ZDUSSCGKSA-N -1 0 355.439 -0.018 20 0 FBADRM CCN1CCO[C@H](CN2CCN(C(=O)COCCNC(=O)[O-])CC2)C1 ZINC000739458919 602666006 /nfs/dbraw/zinc/66/60/06/602666006.db2.gz YPPGIQTXTADPKE-AWEZNQCLSA-N -1 0 358.439 -0.865 20 0 FBADRM CCN1CCO[C@@H](CN2CCN(C(=O)COCCNC(=O)[O-])CC2)C1 ZINC000739458923 602666010 /nfs/dbraw/zinc/66/60/10/602666010.db2.gz YPPGIQTXTADPKE-CQSZACIVSA-N -1 0 358.439 -0.865 20 0 FBADRM CCNC(=O)N1CCN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CC1 ZINC000739459026 603189083 /nfs/dbraw/zinc/18/90/83/603189083.db2.gz CMDCOKNGUIZQSU-UHFFFAOYSA-N -1 0 355.439 -0.066 20 0 FBADRM O=C([O-])c1cc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)c(F)cc1F ZINC000739459821 600655763 /nfs/dbraw/zinc/65/57/63/600655763.db2.gz PLDUBRIDJHOOFA-UHFFFAOYSA-N -1 0 362.310 -0.142 20 0 FBADRM CCNC(=O)NC(=O)COC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739459909 602041780 /nfs/dbraw/zinc/04/17/80/602041780.db2.gz KFQOHUZLQVZAEQ-UHFFFAOYSA-N -1 0 368.350 -0.405 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000739460080 602168032 /nfs/dbraw/zinc/16/80/32/602168032.db2.gz FPSKPSJNWWMICG-CYBMUJFWSA-N -1 0 355.439 -0.160 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000739460083 602168319 /nfs/dbraw/zinc/16/83/19/602168319.db2.gz FPSKPSJNWWMICG-ZDUSSCGKSA-N -1 0 355.439 -0.160 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CCO1 ZINC000739460909 600320728 /nfs/dbraw/zinc/32/07/28/600320728.db2.gz YRNFMJHHSNBLBU-LLVKDONJSA-N -1 0 364.293 -0.948 20 0 FBADRM CCNC(=O)c1ccc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000739460915 602993190 /nfs/dbraw/zinc/99/31/90/602993190.db2.gz QMSZHTRYTUURBY-UHFFFAOYSA-N -1 0 362.386 -0.125 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CCO1 ZINC000739460928 600320563 /nfs/dbraw/zinc/32/05/63/600320563.db2.gz YRNFMJHHSNBLBU-NSHDSACASA-N -1 0 364.293 -0.948 20 0 FBADRM CCN1CCN(CC(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)C(=O)C1=O ZINC000739461220 602643534 /nfs/dbraw/zinc/64/35/34/602643534.db2.gz RQZMIDXTYQXJSL-GFCCVEGCSA-N -1 0 354.407 -0.427 20 0 FBADRM CCN1CCN(CC(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)C(=O)C1=O ZINC000739461225 602643658 /nfs/dbraw/zinc/64/36/58/602643658.db2.gz RQZMIDXTYQXJSL-LBPRGKRZSA-N -1 0 354.407 -0.427 20 0 FBADRM CCN1CCN(CC(=O)N2CCC(CN(C)C(=O)[O-])CC2)C(=O)C1=O ZINC000739461504 602367805 /nfs/dbraw/zinc/36/78/05/602367805.db2.gz UJWSFWPSPDPWQU-UHFFFAOYSA-N -1 0 354.407 -0.475 20 0 FBADRM O=C([O-])N1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)C1 ZINC000739461680 603317175 /nfs/dbraw/zinc/31/71/75/603317175.db2.gz FAPNUWBBJKBHPB-LLVKDONJSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CCC[C@H](NC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)C1 ZINC000739461683 605686602 /nfs/dbraw/zinc/68/66/02/605686602.db2.gz FAPNUWBBJKBHPB-NSHDSACASA-N -1 0 359.346 -0.141 20 0 FBADRM CCN1CCN(CC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])C(=O)C1=O ZINC000739462159 602991807 /nfs/dbraw/zinc/99/18/07/602991807.db2.gz WBBNPLXBAGYQKF-NEPJUHHUSA-N -1 0 354.407 -0.380 20 0 FBADRM CCN1CCN(CC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])C(=O)C1=O ZINC000739462160 602991496 /nfs/dbraw/zinc/99/14/96/602991496.db2.gz WBBNPLXBAGYQKF-NWDGAFQWSA-N -1 0 354.407 -0.380 20 0 FBADRM CCN1CCN(CC(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])C(=O)C1=O ZINC000739462161 602991770 /nfs/dbraw/zinc/99/17/70/602991770.db2.gz WBBNPLXBAGYQKF-RYUDHWBXSA-N -1 0 354.407 -0.380 20 0 FBADRM CCN1CCN(CC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])C(=O)C1=O ZINC000739462162 602991537 /nfs/dbraw/zinc/99/15/37/602991537.db2.gz WBBNPLXBAGYQKF-VXGBXAGGSA-N -1 0 354.407 -0.380 20 0 FBADRM CCN1CCN(CC(=O)NC[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])C(=O)C1=O ZINC000739462177 603094828 /nfs/dbraw/zinc/09/48/28/603094828.db2.gz WQRBPLNUPRUZLU-GHMZBOCLSA-N -1 0 370.406 -0.703 20 0 FBADRM CCN1CCN(CC(=O)NC[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])C(=O)C1=O ZINC000739462190 603094848 /nfs/dbraw/zinc/09/48/48/603094848.db2.gz WQRBPLNUPRUZLU-MNOVXSKESA-N -1 0 370.406 -0.703 20 0 FBADRM CCN1CCN(CC(=O)NC[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])C(=O)C1=O ZINC000739462195 603094999 /nfs/dbraw/zinc/09/49/99/603094999.db2.gz WQRBPLNUPRUZLU-QWRGUYRKSA-N -1 0 370.406 -0.703 20 0 FBADRM CCN1CCN(CC(=O)NC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])C(=O)C1=O ZINC000739462197 603094955 /nfs/dbraw/zinc/09/49/55/603094955.db2.gz WQRBPLNUPRUZLU-WDEREUQCSA-N -1 0 370.406 -0.703 20 0 FBADRM CCN1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])C(=O)C1=O ZINC000739462524 603007996 /nfs/dbraw/zinc/00/79/96/603007996.db2.gz YWFWSIKEYZKPDH-YOGCLGLASA-N -1 0 352.391 -0.533 20 0 FBADRM CCNC(=O)NC(=O)[C@H](C)OC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739463207 603279571 /nfs/dbraw/zinc/27/95/71/603279571.db2.gz NVFAUOJGTZIGPQ-JTQLQIEISA-N -1 0 358.395 -0.162 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CCO1 ZINC000739463208 600320532 /nfs/dbraw/zinc/32/05/32/600320532.db2.gz MSNNXQWSFWNQBM-GFCCVEGCSA-N -1 0 363.305 -0.343 20 0 FBADRM CCNC(=O)NC(=O)[C@@H](C)OC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739463213 603279523 /nfs/dbraw/zinc/27/95/23/603279523.db2.gz NVFAUOJGTZIGPQ-SNVBAGLBSA-N -1 0 358.395 -0.162 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CCO1 ZINC000739463215 600320692 /nfs/dbraw/zinc/32/06/92/600320692.db2.gz MSNNXQWSFWNQBM-LBPRGKRZSA-N -1 0 363.305 -0.343 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)NCC2CCN(C(=O)[O-])CC2)CC1 ZINC000739463413 602160881 /nfs/dbraw/zinc/16/08/81/602160881.db2.gz QIUFLSIUEJDVDR-UHFFFAOYSA-N -1 0 355.439 -0.160 20 0 FBADRM O=C([O-])N1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C1 ZINC000739463773 603318897 /nfs/dbraw/zinc/31/88/97/603318897.db2.gz UZOMUUQVNKSHNJ-LLVKDONJSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CCC[C@H](NC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C1 ZINC000739463774 605686850 /nfs/dbraw/zinc/68/68/50/605686850.db2.gz UZOMUUQVNKSHNJ-NSHDSACASA-N -1 0 359.346 -0.141 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)c2csc(CNC(=O)[O-])n2)CC1 ZINC000739463950 602707533 /nfs/dbraw/zinc/70/75/33/602707533.db2.gz VEVTVSRNENERDI-UHFFFAOYSA-N -1 0 355.420 -0.195 20 0 FBADRM CCNC(=O)CN1CCCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000739464350 602843233 /nfs/dbraw/zinc/84/32/33/602843233.db2.gz XIKSARNVCUIFPA-AWEZNQCLSA-N -1 0 370.450 -0.184 20 0 FBADRM CCNC(=O)CN1CCCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000739464351 602843290 /nfs/dbraw/zinc/84/32/90/602843290.db2.gz XIKSARNVCUIFPA-CQSZACIVSA-N -1 0 370.450 -0.184 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000739464404 602838652 /nfs/dbraw/zinc/83/86/52/602838652.db2.gz YXLLFKDTAMJXDQ-CYBMUJFWSA-N -1 0 356.423 -0.574 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000739464405 602838952 /nfs/dbraw/zinc/83/89/52/602838952.db2.gz YXLLFKDTAMJXDQ-ZDUSSCGKSA-N -1 0 356.423 -0.574 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739464415 602718236 /nfs/dbraw/zinc/71/82/36/602718236.db2.gz ZHZSERNPWATBRZ-CYBMUJFWSA-N -1 0 355.439 -0.160 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)NCC[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739464416 602718187 /nfs/dbraw/zinc/71/81/87/602718187.db2.gz ZHZSERNPWATBRZ-ZDUSSCGKSA-N -1 0 355.439 -0.160 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000739464520 602756544 /nfs/dbraw/zinc/75/65/44/602756544.db2.gz GEYZBTRXDOLTIM-UHFFFAOYSA-N -1 0 350.441 -0.043 20 0 FBADRM CCNC(=O)NC1CCC(OC(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000739464523 603144814 /nfs/dbraw/zinc/14/48/14/603144814.db2.gz PLYYWDAAKCWKPB-UHFFFAOYSA-N -1 0 370.406 -0.018 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CCO1 ZINC000739465150 600055482 /nfs/dbraw/zinc/05/54/82/600055482.db2.gz RHCZKMWIUOFFLL-CYBMUJFWSA-N -1 0 361.354 -0.171 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CCO1 ZINC000739465153 600055467 /nfs/dbraw/zinc/05/54/67/600055467.db2.gz RHCZKMWIUOFFLL-ZDUSSCGKSA-N -1 0 361.354 -0.171 20 0 FBADRM CCOC(=O)C(=O)N1CCN(C(=O)C2(OC)CCN(C(=O)[O-])CC2)CC1 ZINC000739465205 603225094 /nfs/dbraw/zinc/22/50/94/603225094.db2.gz HAIYHGWWQRFICC-UHFFFAOYSA-N -1 0 371.390 -0.621 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000739465316 597002635 /nfs/dbraw/zinc/00/26/35/597002635.db2.gz KSKRKAXUZRVHSC-CYBMUJFWSA-N -1 0 368.415 -0.239 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000739465317 597002199 /nfs/dbraw/zinc/00/21/99/597002199.db2.gz KSKRKAXUZRVHSC-ZDUSSCGKSA-N -1 0 368.415 -0.239 20 0 FBADRM CCOC(=O)C(=O)N1CCN(C(=O)c2csc(CNC(=O)[O-])n2)CC1 ZINC000739465646 603225340 /nfs/dbraw/zinc/22/53/40/603225340.db2.gz ICOYGZVIBTXXKN-UHFFFAOYSA-N -1 0 370.387 -0.242 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000739465755 602756487 /nfs/dbraw/zinc/75/64/87/602756487.db2.gz LYXSBAOGLCBJND-LLVKDONJSA-N -1 0 350.441 -0.043 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739465760 602756496 /nfs/dbraw/zinc/75/64/96/602756496.db2.gz LYXSBAOGLCBJND-NSHDSACASA-N -1 0 350.441 -0.043 20 0 FBADRM CCOC(=O)C(=O)N1CCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000739466088 602910830 /nfs/dbraw/zinc/91/08/30/602910830.db2.gz LLUQYTRWORHEMT-GFCCVEGCSA-N -1 0 371.390 -0.621 20 0 FBADRM CCOC(=O)C(=O)N1CCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000739466090 602911085 /nfs/dbraw/zinc/91/10/85/602911085.db2.gz LLUQYTRWORHEMT-LBPRGKRZSA-N -1 0 371.390 -0.621 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739466242 602728660 /nfs/dbraw/zinc/72/86/60/602728660.db2.gz QHVFKGQAPDBVJF-UHFFFAOYSA-N -1 0 374.423 -0.738 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739467026 602757210 /nfs/dbraw/zinc/75/72/10/602757210.db2.gz YWRVBZPKMOBKDQ-UHFFFAOYSA-N -1 0 359.364 -0.835 20 0 FBADRM CCOC(=O)C(=O)N1CCN(C(=O)[C@H](CCSC)NC(=O)[O-])CC1 ZINC000739467303 603225157 /nfs/dbraw/zinc/22/51/57/603225157.db2.gz YMFLNLHWKHAGTK-JTQLQIEISA-N -1 0 361.420 -0.390 20 0 FBADRM CCOC(=O)C(=O)N1CCN(C(=O)[C@@H](CCSC)NC(=O)[O-])CC1 ZINC000739467304 603225311 /nfs/dbraw/zinc/22/53/11/603225311.db2.gz YMFLNLHWKHAGTK-SNVBAGLBSA-N -1 0 361.420 -0.390 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000739467876 603147042 /nfs/dbraw/zinc/14/70/42/603147042.db2.gz BIMTUKTTZOLXSZ-GRYCIOLGSA-N -1 0 372.374 -0.556 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000739467877 603147062 /nfs/dbraw/zinc/14/70/62/603147062.db2.gz BIMTUKTTZOLXSZ-IJLUTSLNSA-N -1 0 372.374 -0.556 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000739467878 603147077 /nfs/dbraw/zinc/14/70/77/603147077.db2.gz BIMTUKTTZOLXSZ-UTUOFQBUSA-N -1 0 372.374 -0.556 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000739467879 603147066 /nfs/dbraw/zinc/14/70/66/603147066.db2.gz BIMTUKTTZOLXSZ-WOPDTQHZSA-N -1 0 372.374 -0.556 20 0 FBADRM CCOC(=O)C1(CNC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CCC1 ZINC000739468325 602828270 /nfs/dbraw/zinc/82/82/70/602828270.db2.gz OHMLEWYDRFJBSR-UHFFFAOYSA-N -1 0 370.406 -0.159 20 0 FBADRM CCOC(=O)C1=C(COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])NC(=O)N[C@@H]1C ZINC000739468583 603151212 /nfs/dbraw/zinc/15/12/12/603151212.db2.gz QIYFUKHAAURXRV-MRTMQBJTSA-N -1 0 371.346 -0.839 20 0 FBADRM CCOC(=O)C1=C(COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])NC(=O)N[C@H]1C ZINC000739468584 603151311 /nfs/dbraw/zinc/15/13/11/603151311.db2.gz QIYFUKHAAURXRV-NRPADANISA-N -1 0 371.346 -0.839 20 0 FBADRM CCOC(=O)C1=C(COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])NC(=O)N[C@@H]1C ZINC000739468585 603151406 /nfs/dbraw/zinc/15/14/06/603151406.db2.gz QIYFUKHAAURXRV-WEDXCCLWSA-N -1 0 371.346 -0.839 20 0 FBADRM CCOC(=O)C1=C(COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])NC(=O)N[C@H]1C ZINC000739468586 603151318 /nfs/dbraw/zinc/15/13/18/603151318.db2.gz QIYFUKHAAURXRV-XKSSXDPKSA-N -1 0 371.346 -0.839 20 0 FBADRM CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739468928 603157118 /nfs/dbraw/zinc/15/71/18/603157118.db2.gz VJSXLQRJWGBZHF-GRYCIOLGSA-N -1 0 372.374 -0.413 20 0 FBADRM CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739468929 603156972 /nfs/dbraw/zinc/15/69/72/603156972.db2.gz VJSXLQRJWGBZHF-SDDRHHMPSA-N -1 0 372.374 -0.413 20 0 FBADRM CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739468930 603157067 /nfs/dbraw/zinc/15/70/67/603157067.db2.gz VJSXLQRJWGBZHF-SRVKXCTJSA-N -1 0 372.374 -0.413 20 0 FBADRM CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739468931 603156985 /nfs/dbraw/zinc/15/69/85/603156985.db2.gz VJSXLQRJWGBZHF-WOPDTQHZSA-N -1 0 372.374 -0.413 20 0 FBADRM CCOC(=O)C1CCN(C(=O)COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000739468986 603153800 /nfs/dbraw/zinc/15/38/00/603153800.db2.gz LTXGFURDMUNXMO-NEPJUHHUSA-N -1 0 372.374 -0.556 20 0 FBADRM CCOC(=O)C1CCN(C(=O)COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000739468988 603153696 /nfs/dbraw/zinc/15/36/96/603153696.db2.gz LTXGFURDMUNXMO-NWDGAFQWSA-N -1 0 372.374 -0.556 20 0 FBADRM CCOC(=O)C1CCN(C(=O)COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000739468990 603154031 /nfs/dbraw/zinc/15/40/31/603154031.db2.gz LTXGFURDMUNXMO-RYUDHWBXSA-N -1 0 372.374 -0.556 20 0 FBADRM CCOC(=O)C1CCN(C(=O)COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000739468991 603153871 /nfs/dbraw/zinc/15/38/71/603153871.db2.gz LTXGFURDMUNXMO-VXGBXAGGSA-N -1 0 372.374 -0.556 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)NCCNC(=O)[O-])C1 ZINC000739469407 602395014 /nfs/dbraw/zinc/39/50/14/602395014.db2.gz PHQGCCJPYPNRRC-LLVKDONJSA-N -1 0 358.395 -0.303 20 0 FBADRM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)NCCNC(=O)[O-])C1 ZINC000739469408 602395005 /nfs/dbraw/zinc/39/50/05/602395005.db2.gz PHQGCCJPYPNRRC-NSHDSACASA-N -1 0 358.395 -0.303 20 0 FBADRM CCOC(=O)N(C)C1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000739469627 603023204 /nfs/dbraw/zinc/02/32/04/603023204.db2.gz BHMFKZQQEYQELR-UHFFFAOYSA-N -1 0 370.406 -0.112 20 0 FBADRM CCOC(=O)C1CCN(C(=O)CN(C)C(=O)NCCNC(=O)[O-])CC1 ZINC000739470137 602394827 /nfs/dbraw/zinc/39/48/27/602394827.db2.gz WHTHYMRZAJIYEU-UHFFFAOYSA-N -1 0 358.395 -0.303 20 0 FBADRM CCOC(=O)[C@H]1CN(C(=O)NCCN2CCN(C(=O)[O-])CC2)CCO1 ZINC000739471086 603122891 /nfs/dbraw/zinc/12/28/91/603122891.db2.gz BGJLQHCDHIUNQC-GFCCVEGCSA-N -1 0 358.395 -0.745 20 0 FBADRM CCOC(=O)[C@@H]1CN(C(=O)NCCN2CCN(C(=O)[O-])CC2)CCO1 ZINC000739471087 603122780 /nfs/dbraw/zinc/12/27/80/603122780.db2.gz BGJLQHCDHIUNQC-LBPRGKRZSA-N -1 0 358.395 -0.745 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)CCO1 ZINC000739471517 600051644 /nfs/dbraw/zinc/05/16/44/600051644.db2.gz LVOBOXGHVJGGFG-AWEZNQCLSA-N -1 0 363.370 -0.226 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)CCO1 ZINC000739471519 600051726 /nfs/dbraw/zinc/05/17/26/600051726.db2.gz LVOBOXGHVJGGFG-CQSZACIVSA-N -1 0 363.370 -0.226 20 0 FBADRM CCOC(=O)[C@@H]1CSCCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739471803 602987501 /nfs/dbraw/zinc/98/75/01/602987501.db2.gz FDFKKNIOIKYJNT-JTQLQIEISA-N -1 0 359.404 -0.684 20 0 FBADRM CCOC(=O)[C@H]1CSCCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739471806 602987676 /nfs/dbraw/zinc/98/76/76/602987676.db2.gz FDFKKNIOIKYJNT-SNVBAGLBSA-N -1 0 359.404 -0.684 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc(Cn3cncn3)cc2)CCO1 ZINC000739472113 600055872 /nfs/dbraw/zinc/05/58/72/600055872.db2.gz NDBBDRHXXLFACY-CYBMUJFWSA-N -1 0 359.342 -0.423 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cn3cncn3)cc2)CCO1 ZINC000739472115 600055855 /nfs/dbraw/zinc/05/58/55/600055855.db2.gz NDBBDRHXXLFACY-ZDUSSCGKSA-N -1 0 359.342 -0.423 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCOC3=O)cc2)CCO1 ZINC000739472267 600052790 /nfs/dbraw/zinc/05/27/90/600052790.db2.gz PGSRXKJZYQIAMT-GFCCVEGCSA-N -1 0 363.326 -0.106 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCOC3=O)cc2)CCO1 ZINC000739472269 600052661 /nfs/dbraw/zinc/05/26/61/600052661.db2.gz PGSRXKJZYQIAMT-LBPRGKRZSA-N -1 0 363.326 -0.106 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)NC(C)(C)CNC(=O)[O-])CC1 ZINC000739474927 603237207 /nfs/dbraw/zinc/23/72/07/603237207.db2.gz ALGYRPOABZJAKY-UHFFFAOYSA-N -1 0 352.413 -0.359 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)NC[C@H]2CCCN2C(=O)[O-])CC1 ZINC000739474951 602592190 /nfs/dbraw/zinc/59/21/90/602592190.db2.gz BHMUZMIJDZFUCY-LLVKDONJSA-N -1 0 364.424 -0.263 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000739474952 602592305 /nfs/dbraw/zinc/59/23/05/602592305.db2.gz BHMUZMIJDZFUCY-NSHDSACASA-N -1 0 364.424 -0.263 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739474992 602568885 /nfs/dbraw/zinc/56/88/85/602568885.db2.gz CRJVQYSXFGGJNX-JTQLQIEISA-N -1 0 350.397 -0.653 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739474997 602568836 /nfs/dbraw/zinc/56/88/36/602568836.db2.gz CRJVQYSXFGGJNX-SNVBAGLBSA-N -1 0 350.397 -0.653 20 0 FBADRM CCOC(=O)CCCS(=O)(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739475100 602927707 /nfs/dbraw/zinc/92/77/07/602927707.db2.gz JFORKMKFUPEXBD-UHFFFAOYSA-N -1 0 365.408 -0.929 20 0 FBADRM CCOC(=O)CN(C)C(=O)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739475202 603295192 /nfs/dbraw/zinc/29/51/92/603295192.db2.gz KFIPIYVMFZOTNZ-UHFFFAOYSA-N -1 0 370.362 -0.928 20 0 FBADRM CCOC(=O)CCS(=O)(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739475746 602871024 /nfs/dbraw/zinc/87/10/24/602871024.db2.gz MGTIRPCFKWXXPV-UHFFFAOYSA-N -1 0 351.425 -0.503 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)NCCN(C(=O)[O-])C2CC2)CC1 ZINC000739476003 602044350 /nfs/dbraw/zinc/04/43/50/602044350.db2.gz HIXIIROTLWARAA-UHFFFAOYSA-N -1 0 364.424 -0.263 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N(C)[C@@H](C)CNC(=O)[O-])CC1 ZINC000739476131 602566652 /nfs/dbraw/zinc/56/66/52/602566652.db2.gz JHXXVLJSNVCJPU-JTQLQIEISA-N -1 0 352.413 -0.407 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N(C)[C@H](C)CNC(=O)[O-])CC1 ZINC000739476133 602566545 /nfs/dbraw/zinc/56/65/45/602566545.db2.gz JHXXVLJSNVCJPU-SNVBAGLBSA-N -1 0 352.413 -0.407 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)C3CC3)nc2)CCO1 ZINC000739476208 599982170 /nfs/dbraw/zinc/98/21/70/599982170.db2.gz RSJACPIIINGEMH-LLVKDONJSA-N -1 0 362.342 -0.319 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)C3CC3)nc2)CCO1 ZINC000739476209 599981961 /nfs/dbraw/zinc/98/19/61/599981961.db2.gz RSJACPIIINGEMH-NSHDSACASA-N -1 0 362.342 -0.319 20 0 FBADRM CCOC(=O)CN(CC(F)(F)F)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739476859 602997922 /nfs/dbraw/zinc/99/79/22/602997922.db2.gz WKVAQKIBNHEQEH-UHFFFAOYSA-N -1 0 369.296 -0.237 20 0 FBADRM CCOC(=O)CCS(=O)(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739477149 602869321 /nfs/dbraw/zinc/86/93/21/602869321.db2.gz ZZVBUUNTZKKNFQ-UHFFFAOYSA-N -1 0 365.408 -0.977 20 0 FBADRM CCOC(=O)N1CCN(C(=O)COC(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739477340 602896396 /nfs/dbraw/zinc/89/63/96/602896396.db2.gz NMDXLWHMZVDUPG-LLVKDONJSA-N -1 0 357.363 -0.170 20 0 FBADRM CCOC(=O)N1CCN(C(=O)COC(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739477341 602896143 /nfs/dbraw/zinc/89/61/43/602896143.db2.gz NMDXLWHMZVDUPG-NSHDSACASA-N -1 0 357.363 -0.170 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)NCCN(CC)C(=O)[O-])CC1 ZINC000739477366 602552030 /nfs/dbraw/zinc/55/20/30/602552030.db2.gz NUOLHMIJNLNIFG-UHFFFAOYSA-N -1 0 352.413 -0.405 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CCN(C(=O)[O-])C[C@H]2C)CC1 ZINC000739478091 602743404 /nfs/dbraw/zinc/74/34/04/602743404.db2.gz SCDALMRDPSNWEX-LLVKDONJSA-N -1 0 364.424 -0.311 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CCN(C(=O)[O-])C[C@@H]2C)CC1 ZINC000739478097 602743471 /nfs/dbraw/zinc/74/34/71/602743471.db2.gz SCDALMRDPSNWEX-NSHDSACASA-N -1 0 364.424 -0.311 20 0 FBADRM CCOC(=O)N[C@@H]1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739478125 603017514 /nfs/dbraw/zinc/01/75/14/603017514.db2.gz SKKLMUOWGCFQKE-LLVKDONJSA-N -1 0 356.379 -0.454 20 0 FBADRM CCOC(=O)N[C@H]1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739478128 603017158 /nfs/dbraw/zinc/01/71/58/603017158.db2.gz SKKLMUOWGCFQKE-NSHDSACASA-N -1 0 356.379 -0.454 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000739478210 602788683 /nfs/dbraw/zinc/78/86/83/602788683.db2.gz SPIDTMPMVURULM-LLVKDONJSA-N -1 0 366.440 -0.113 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)NC[C@H](NC(=O)[O-])C(C)C)CC1 ZINC000739478212 602788874 /nfs/dbraw/zinc/78/88/74/602788874.db2.gz SPIDTMPMVURULM-NSHDSACASA-N -1 0 366.440 -0.113 20 0 FBADRM CCOC(=O)N1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000739478318 603020876 /nfs/dbraw/zinc/02/08/76/603020876.db2.gz UJZOTCTVPLHZSD-UHFFFAOYSA-N -1 0 356.379 -0.501 20 0 FBADRM O=C([O-])N1CCC[C@@H](NC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)C1 ZINC000739478445 603315849 /nfs/dbraw/zinc/31/58/49/603315849.db2.gz BMROFEPLSQZIGX-LLVKDONJSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CCC[C@H](NC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)C1 ZINC000739478448 605684671 /nfs/dbraw/zinc/68/46/71/605684671.db2.gz BMROFEPLSQZIGX-NSHDSACASA-N -1 0 359.346 -0.141 20 0 FBADRM CCOC(=O)[C@H]1CN(C(=O)NCCCN2CCN(C(=O)[O-])CC2)CCO1 ZINC000739478606 603122781 /nfs/dbraw/zinc/12/27/81/603122781.db2.gz ZIJPXPRHFQIPIL-CYBMUJFWSA-N -1 0 372.422 -0.354 20 0 FBADRM CCOC(=O)[C@@H]1CN(C(=O)NCCCN2CCN(C(=O)[O-])CC2)CCO1 ZINC000739478607 603122746 /nfs/dbraw/zinc/12/27/46/603122746.db2.gz ZIJPXPRHFQIPIL-ZDUSSCGKSA-N -1 0 372.422 -0.354 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N(C)CCCNC(=O)[O-])CC1 ZINC000739478912 603262036 /nfs/dbraw/zinc/26/20/36/603262036.db2.gz WMZYDWAKMDWMMU-UHFFFAOYSA-N -1 0 352.413 -0.405 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@H](CNC(=O)[O-])C2CC2)CC1 ZINC000739479471 603069285 /nfs/dbraw/zinc/06/92/85/603069285.db2.gz XWQJNCVEWZZQNA-LLVKDONJSA-N -1 0 364.424 -0.359 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](CNC(=O)[O-])C2CC2)CC1 ZINC000739479472 603068995 /nfs/dbraw/zinc/06/89/95/603068995.db2.gz XWQJNCVEWZZQNA-NSHDSACASA-N -1 0 364.424 -0.359 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CC[C@H](CNC(=O)[O-])C2)CC1 ZINC000739479560 601996667 /nfs/dbraw/zinc/99/66/67/601996667.db2.gz ZBFRWKWYZJCRRR-LLVKDONJSA-N -1 0 364.424 -0.405 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CC[C@@H](CNC(=O)[O-])C2)CC1 ZINC000739479562 601996701 /nfs/dbraw/zinc/99/67/01/601996701.db2.gz ZBFRWKWYZJCRRR-NSHDSACASA-N -1 0 364.424 -0.405 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000739479573 605944540 /nfs/dbraw/zinc/94/45/40/605944540.db2.gz ZCWCZZPNQIWVRK-JTQLQIEISA-N -1 0 350.397 -0.653 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000739479575 604337673 /nfs/dbraw/zinc/33/76/73/604337673.db2.gz ZCWCZZPNQIWVRK-SNVBAGLBSA-N -1 0 350.397 -0.653 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)CCO1 ZINC000739480778 600055372 /nfs/dbraw/zinc/05/53/72/600055372.db2.gz RXDROUNVFOSURC-CYBMUJFWSA-N -1 0 361.354 -0.171 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)CCO1 ZINC000739480779 600055451 /nfs/dbraw/zinc/05/54/51/600055451.db2.gz RXDROUNVFOSURC-ZDUSSCGKSA-N -1 0 361.354 -0.171 20 0 FBADRM CCOC(=O)N1CCC(NC(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000739481677 602994774 /nfs/dbraw/zinc/99/47/74/602994774.db2.gz SDKLCDGBBLAVHD-UHFFFAOYSA-N -1 0 356.379 -0.454 20 0 FBADRM CCOC(=O)N1CCC(OC(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000739482348 602991318 /nfs/dbraw/zinc/99/13/18/602991318.db2.gz ZDFOXNQVERNODA-UHFFFAOYSA-N -1 0 357.363 -0.027 20 0 FBADRM CCOC(=O)c1csc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)n1 ZINC000739482550 603028779 /nfs/dbraw/zinc/02/87/79/603028779.db2.gz WIYOYQMZDMSDQZ-UHFFFAOYSA-N -1 0 370.387 -0.242 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cccc(Cn3cncn3)c2)CCO1 ZINC000739483361 600053937 /nfs/dbraw/zinc/05/39/37/600053937.db2.gz FGETZFDIJVACAP-CYBMUJFWSA-N -1 0 359.342 -0.423 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cn3cncn3)c2)CCO1 ZINC000739483363 600053713 /nfs/dbraw/zinc/05/37/13/600053713.db2.gz FGETZFDIJVACAP-ZDUSSCGKSA-N -1 0 359.342 -0.423 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)CCO1 ZINC000739484776 600055445 /nfs/dbraw/zinc/05/54/45/600055445.db2.gz DEQXBLNAZQHKKS-GFCCVEGCSA-N -1 0 362.342 -0.533 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)CCO1 ZINC000739484777 600055332 /nfs/dbraw/zinc/05/53/32/600055332.db2.gz DEQXBLNAZQHKKS-LBPRGKRZSA-N -1 0 362.342 -0.533 20 0 FBADRM CCOCCN1CCN(C(=O)NCCN2CCN(C(=O)[O-])CC2)CC1 ZINC000739485995 602623161 /nfs/dbraw/zinc/62/31/61/602623161.db2.gz CMJYSRVCTUYGDT-UHFFFAOYSA-N -1 0 357.455 -0.354 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cccc(N3CCOC3=O)c2)CCO1 ZINC000739486177 600055440 /nfs/dbraw/zinc/05/54/40/600055440.db2.gz XRCUYOBBRUIPES-GFCCVEGCSA-N -1 0 363.326 -0.106 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3CCOC3=O)c2)CCO1 ZINC000739486179 600055321 /nfs/dbraw/zinc/05/53/21/600055321.db2.gz XRCUYOBBRUIPES-LBPRGKRZSA-N -1 0 363.326 -0.106 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CCO1 ZINC000739486214 600053747 /nfs/dbraw/zinc/05/37/47/600053747.db2.gz YZHZPJPATNZNLS-AWEZNQCLSA-N -1 0 363.370 -0.226 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CCO1 ZINC000739486216 600053692 /nfs/dbraw/zinc/05/36/92/600053692.db2.gz YZHZPJPATNZNLS-CQSZACIVSA-N -1 0 363.370 -0.226 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)CCO1 ZINC000739486666 600052652 /nfs/dbraw/zinc/05/26/52/600052652.db2.gz CJIOOAMITPRVEY-GFCCVEGCSA-N -1 0 364.358 -0.831 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)CCO1 ZINC000739486668 600052509 /nfs/dbraw/zinc/05/25/09/600052509.db2.gz CJIOOAMITPRVEY-LBPRGKRZSA-N -1 0 364.358 -0.831 20 0 FBADRM CCOCCN1CCN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1 ZINC000739487310 602620502 /nfs/dbraw/zinc/62/05/02/602620502.db2.gz KVDJZGAIWCGSMV-UHFFFAOYSA-N -1 0 371.438 -0.828 20 0 FBADRM CCOC[C@@H](O)CN1CCN(C(=O)C2(OC)CCN(C(=O)[O-])CC2)CC1 ZINC000739487852 602683784 /nfs/dbraw/zinc/68/37/84/602683784.db2.gz DKPZTTNSBIZZEL-AWEZNQCLSA-N -1 0 373.450 -0.313 20 0 FBADRM CCOC[C@H](O)CN1CCN(C(=O)C2(OC)CCN(C(=O)[O-])CC2)CC1 ZINC000739487854 602683565 /nfs/dbraw/zinc/68/35/65/602683565.db2.gz DKPZTTNSBIZZEL-CQSZACIVSA-N -1 0 373.450 -0.313 20 0 FBADRM CCOC[C@@H](O)CN1CCN(C(=O)NC[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000739487919 603374989 /nfs/dbraw/zinc/37/49/89/603374989.db2.gz FQDJWRVECARHLG-KBPBESRZSA-N -1 0 358.439 -0.147 20 0 FBADRM CCOC[C@@H](O)CN1CCN(C(=O)NC[C@H]2CCCN2C(=O)[O-])CC1 ZINC000739487920 603375237 /nfs/dbraw/zinc/37/52/37/603375237.db2.gz FQDJWRVECARHLG-KGLIPLIRSA-N -1 0 358.439 -0.147 20 0 FBADRM CCOC[C@H](O)CN1CCN(C(=O)NC[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000739487921 603375203 /nfs/dbraw/zinc/37/52/03/603375203.db2.gz FQDJWRVECARHLG-UONOGXRCSA-N -1 0 358.439 -0.147 20 0 FBADRM CCOC[C@H](O)CN1CCN(C(=O)NC[C@H]2CCCN2C(=O)[O-])CC1 ZINC000739487922 603374958 /nfs/dbraw/zinc/37/49/58/603374958.db2.gz FQDJWRVECARHLG-ZIAGYGMSSA-N -1 0 358.439 -0.147 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)CCO1 ZINC000739488931 600320645 /nfs/dbraw/zinc/32/06/45/600320645.db2.gz DXRANDBYWMNCIQ-GFCCVEGCSA-N -1 0 359.342 -0.423 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)CCO1 ZINC000739488932 600320441 /nfs/dbraw/zinc/32/04/41/600320441.db2.gz DXRANDBYWMNCIQ-LBPRGKRZSA-N -1 0 359.342 -0.423 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccccc2N2CCOC2=O)CCO1 ZINC000739489347 600320567 /nfs/dbraw/zinc/32/05/67/600320567.db2.gz RZEAFWVJEBJZMR-GFCCVEGCSA-N -1 0 363.326 -0.106 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccccc2N2CCOC2=O)CCO1 ZINC000739489348 600320464 /nfs/dbraw/zinc/32/04/64/600320464.db2.gz RZEAFWVJEBJZMR-LBPRGKRZSA-N -1 0 363.326 -0.106 20 0 FBADRM CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)CN1CCN(C(=O)[O-])CC1=O)CC2 ZINC000739489800 603064745 /nfs/dbraw/zinc/06/47/45/603064745.db2.gz MAAZMXRPODOALS-CHWSQXEVSA-N -1 0 369.418 -0.413 20 0 FBADRM CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CN1CCN(C(=O)[O-])CC1=O)CC2 ZINC000739489802 603064613 /nfs/dbraw/zinc/06/46/13/603064613.db2.gz MAAZMXRPODOALS-OLZOCXBDSA-N -1 0 369.418 -0.413 20 0 FBADRM CCO[C@@H]1C[C@H](O)C12CCN(C(=O)CN1CCN(C(=O)[O-])CC1=O)CC2 ZINC000739489806 603064447 /nfs/dbraw/zinc/06/44/47/603064447.db2.gz MAAZMXRPODOALS-QWHCGFSZSA-N -1 0 369.418 -0.413 20 0 FBADRM CCO[C@H]1C[C@H](O)C12CCN(C(=O)CN1CCN(C(=O)[O-])CC1=O)CC2 ZINC000739489809 603064704 /nfs/dbraw/zinc/06/47/04/603064704.db2.gz MAAZMXRPODOALS-STQMWFEESA-N -1 0 369.418 -0.413 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccccc2Cn2cncn2)CCO1 ZINC000739490093 600053844 /nfs/dbraw/zinc/05/38/44/600053844.db2.gz ZZGWNYQHTZKWJK-CYBMUJFWSA-N -1 0 359.342 -0.423 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccccc2Cn2cncn2)CCO1 ZINC000739490095 600053819 /nfs/dbraw/zinc/05/38/19/600053819.db2.gz ZZGWNYQHTZKWJK-ZDUSSCGKSA-N -1 0 359.342 -0.423 20 0 FBADRM CCOCCN1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C[C@H]1C ZINC000739490697 603030392 /nfs/dbraw/zinc/03/03/92/603030392.db2.gz YIRRGUHDLOQXHI-CYBMUJFWSA-N -1 0 356.423 -0.622 20 0 FBADRM CCOCCN1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C[C@@H]1C ZINC000739490698 603030575 /nfs/dbraw/zinc/03/05/75/603030575.db2.gz YIRRGUHDLOQXHI-ZDUSSCGKSA-N -1 0 356.423 -0.622 20 0 FBADRM CCOCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739492466 601984013 /nfs/dbraw/zinc/98/40/13/601984013.db2.gz HYNWBULMNOIKEC-LLVKDONJSA-N -1 0 351.425 -0.552 20 0 FBADRM CCOCCS(=O)(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739492468 601983916 /nfs/dbraw/zinc/98/39/16/601983916.db2.gz HYNWBULMNOIKEC-NSHDSACASA-N -1 0 351.425 -0.552 20 0 FBADRM CCOc1ccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)c(C(N)=O)c1 ZINC000739500868 603008753 /nfs/dbraw/zinc/00/87/53/603008753.db2.gz JGMHEBAOFPOCKU-UHFFFAOYSA-N -1 0 364.358 -0.055 20 0 FBADRM CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCC(=O)[O-] ZINC000739504748 597074204 /nfs/dbraw/zinc/07/42/04/597074204.db2.gz NWSULKPMVKKKTR-UHFFFAOYSA-N -1 0 373.387 -0.525 20 0 FBADRM CCOc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000739507834 597047172 /nfs/dbraw/zinc/04/71/72/597047172.db2.gz RBNINQDDDGYUTA-UHFFFAOYSA-N -1 0 373.387 -0.525 20 0 FBADRM CCOc1ccnc(N2CCN(C(=O)[C@H]3COCCN3C(=O)[O-])CC2)n1 ZINC000739510306 602891384 /nfs/dbraw/zinc/89/13/84/602891384.db2.gz NXRIEVSRXLEXQV-GFCCVEGCSA-N -1 0 365.390 -0.097 20 0 FBADRM CCOc1ccnc(N2CCN(C(=O)[C@@H]3COCCN3C(=O)[O-])CC2)n1 ZINC000739510308 602891267 /nfs/dbraw/zinc/89/12/67/602891267.db2.gz NXRIEVSRXLEXQV-LBPRGKRZSA-N -1 0 365.390 -0.097 20 0 FBADRM CCOc1ccnc(N2CCN(C(=O)COCCNC(=O)[O-])CC2)n1 ZINC000739510729 602665962 /nfs/dbraw/zinc/66/59/62/602665962.db2.gz WRKDGSLIZJUWDK-UHFFFAOYSA-N -1 0 353.379 -0.192 20 0 FBADRM CCOc1ncccc1NC(=O)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739511939 602210931 /nfs/dbraw/zinc/21/09/31/602210931.db2.gz LNVLMCPPZOTJRB-UHFFFAOYSA-N -1 0 365.390 -0.169 20 0 FBADRM CCS(=O)(=O)CCNC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739513143 602225365 /nfs/dbraw/zinc/22/53/65/602225365.db2.gz BCBLBDUVEIIYDR-UHFFFAOYSA-N -1 0 350.441 -0.594 20 0 FBADRM CCS(=O)(=O)NC1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000739513405 602398452 /nfs/dbraw/zinc/39/84/52/602398452.db2.gz AXUOEJLHSAQPBZ-SNVBAGLBSA-N -1 0 351.450 -0.030 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000739513429 596957076 /nfs/dbraw/zinc/95/70/76/596957076.db2.gz BXSYRQNGYHSAAT-CYBMUJFWSA-N -1 0 368.415 -0.239 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000739513430 596956972 /nfs/dbraw/zinc/95/69/72/596956972.db2.gz BXSYRQNGYHSAAT-ZDUSSCGKSA-N -1 0 368.415 -0.239 20 0 FBADRM CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1OC ZINC000739513502 597043503 /nfs/dbraw/zinc/04/35/03/597043503.db2.gz DWGCSPRRCJWQQI-UHFFFAOYSA-N -1 0 359.360 -0.404 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)C1(NC(=O)[O-])Cc2ccccc2C1 ZINC000739514198 603173767 /nfs/dbraw/zinc/17/37/67/603173767.db2.gz GQLBCDKQIVUHHE-UHFFFAOYSA-N -1 0 355.416 -0.153 20 0 FBADRM CCS(=O)(=O)CCNC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739514239 602631419 /nfs/dbraw/zinc/63/14/19/602631419.db2.gz GLISRNZKQVARDS-UHFFFAOYSA-N -1 0 350.441 -0.642 20 0 FBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739514639 602961896 /nfs/dbraw/zinc/96/18/96/602961896.db2.gz IQMNXDQZPIPJMN-GFCCVEGCSA-N -1 0 364.468 -0.253 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739514642 602961939 /nfs/dbraw/zinc/96/19/39/602961939.db2.gz IQMNXDQZPIPJMN-LBPRGKRZSA-N -1 0 364.468 -0.253 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000739514830 602871639 /nfs/dbraw/zinc/87/16/39/602871639.db2.gz BGXYYLHEWRIUKF-GFCCVEGCSA-N -1 0 363.436 -0.361 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000739514834 602873656 /nfs/dbraw/zinc/87/36/56/602873656.db2.gz BGXYYLHEWRIUKF-LBPRGKRZSA-N -1 0 363.436 -0.361 20 0 FBADRM CCS(=O)(=O)NC1CCN(C(=O)CN(CCOC)C(=O)[O-])CC1 ZINC000739514870 603106751 /nfs/dbraw/zinc/10/67/51/603106751.db2.gz IYRCZZLKBRDGHH-UHFFFAOYSA-N -1 0 351.425 -0.457 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000739515071 602415392 /nfs/dbraw/zinc/41/53/92/602415392.db2.gz LCWJFORWGCXIRV-UHFFFAOYSA-N -1 0 350.441 -0.043 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)C1(OC)CCN(C(=O)[O-])CC1 ZINC000739515129 602290727 /nfs/dbraw/zinc/29/07/27/602290727.db2.gz LWTWLCYQHIVYDB-UHFFFAOYSA-N -1 0 351.425 -0.409 20 0 FBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739515558 602478028 /nfs/dbraw/zinc/47/80/28/602478028.db2.gz NNYFPMGSBMPODK-NXEZZACHSA-N -1 0 353.466 -0.084 20 0 FBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739515561 602478005 /nfs/dbraw/zinc/47/80/05/602478005.db2.gz NNYFPMGSBMPODK-UWVGGRQHSA-N -1 0 353.466 -0.084 20 0 FBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739515563 602478092 /nfs/dbraw/zinc/47/80/92/602478092.db2.gz NNYFPMGSBMPODK-VHSXEESVSA-N -1 0 353.466 -0.084 20 0 FBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739515566 602478165 /nfs/dbraw/zinc/47/81/65/602478165.db2.gz NNYFPMGSBMPODK-ZJUUUORDSA-N -1 0 353.466 -0.084 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739515602 603387437 /nfs/dbraw/zinc/38/74/37/603387437.db2.gz NWEKOOITXITNFP-UHFFFAOYSA-N -1 0 358.376 -0.230 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739515651 602093168 /nfs/dbraw/zinc/09/31/68/602093168.db2.gz OHGNXGBQGVXSHI-UHFFFAOYSA-N -1 0 373.391 -0.444 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000739515670 602090715 /nfs/dbraw/zinc/09/07/15/602090715.db2.gz OIXOBDCJJZIYSZ-LLVKDONJSA-N -1 0 350.441 -0.043 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739515672 602090813 /nfs/dbraw/zinc/09/08/13/602090813.db2.gz OIXOBDCJJZIYSZ-NSHDSACASA-N -1 0 350.441 -0.043 20 0 FBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000739515725 602667215 /nfs/dbraw/zinc/66/72/15/602667215.db2.gz GBFJPFUFXJXHIR-UHFFFAOYSA-N -1 0 351.425 -0.457 20 0 FBADRM CCS(=O)(=O)N1CCC(NC(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000739515731 602368265 /nfs/dbraw/zinc/36/82/65/602368265.db2.gz GDKDXFOMTJOMFQ-SNVBAGLBSA-N -1 0 351.450 -0.030 20 0 FBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739515943 602982051 /nfs/dbraw/zinc/98/20/51/602982051.db2.gz OCNPRXKDFSHDIQ-GFCCVEGCSA-N -1 0 364.468 -0.253 20 0 FBADRM CCS(=O)(=O)C[C@H](C)NC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739515946 602982153 /nfs/dbraw/zinc/98/21/53/602982153.db2.gz OCNPRXKDFSHDIQ-LBPRGKRZSA-N -1 0 364.468 -0.253 20 0 FBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739516112 602958976 /nfs/dbraw/zinc/95/89/76/602958976.db2.gz PDZMJTCPZYJYKD-GFCCVEGCSA-N -1 0 364.468 -0.206 20 0 FBADRM CCS(=O)(=O)C[C@H](C)NC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739516115 602960664 /nfs/dbraw/zinc/96/06/64/602960664.db2.gz PDZMJTCPZYJYKD-LBPRGKRZSA-N -1 0 364.468 -0.206 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739516148 602087141 /nfs/dbraw/zinc/08/71/41/602087141.db2.gz PPXFKTPWKSPFHD-UHFFFAOYSA-N -1 0 359.364 -0.835 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)c1csc(CNC(=O)[O-])n1 ZINC000739516194 602709820 /nfs/dbraw/zinc/70/98/20/602709820.db2.gz QKCLVPRKIZKOBI-UHFFFAOYSA-N -1 0 350.422 -0.030 20 0 FBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739516237 604469677 /nfs/dbraw/zinc/46/96/77/604469677.db2.gz RJMDTXMPSMMDSR-NXEZZACHSA-N -1 0 353.466 -0.084 20 0 FBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000739516239 605128875 /nfs/dbraw/zinc/12/88/75/605128875.db2.gz RJMDTXMPSMMDSR-UWVGGRQHSA-N -1 0 353.466 -0.084 20 0 FBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000739516240 605129155 /nfs/dbraw/zinc/12/91/55/605129155.db2.gz RJMDTXMPSMMDSR-VHSXEESVSA-N -1 0 353.466 -0.084 20 0 FBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739516241 604469373 /nfs/dbraw/zinc/46/93/73/604469373.db2.gz RJMDTXMPSMMDSR-ZJUUUORDSA-N -1 0 353.466 -0.084 20 0 FBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)CN(CCOC)C(=O)[O-])CC1 ZINC000739516434 603111727 /nfs/dbraw/zinc/11/17/27/603111727.db2.gz JKDDIAXBDGXTRJ-UHFFFAOYSA-N -1 0 365.452 -0.115 20 0 FBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000739516443 603097617 /nfs/dbraw/zinc/09/76/17/603097617.db2.gz JNLZAPIHWNBDLE-NEPJUHHUSA-N -1 0 363.436 -0.628 20 0 FBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000739516444 603097082 /nfs/dbraw/zinc/09/70/82/603097082.db2.gz JNLZAPIHWNBDLE-NWDGAFQWSA-N -1 0 363.436 -0.628 20 0 FBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000739516445 603097275 /nfs/dbraw/zinc/09/72/75/603097275.db2.gz JNLZAPIHWNBDLE-RYUDHWBXSA-N -1 0 363.436 -0.628 20 0 FBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000739516446 603097368 /nfs/dbraw/zinc/09/73/68/603097368.db2.gz JNLZAPIHWNBDLE-VXGBXAGGSA-N -1 0 363.436 -0.628 20 0 FBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739516467 661792687 /nfs/dbraw/zinc/79/26/87/661792687.db2.gz JYHIZPBPIOBJAB-GFCCVEGCSA-N -1 0 363.436 -0.362 20 0 FBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000739516468 661792704 /nfs/dbraw/zinc/79/27/04/661792704.db2.gz JYHIZPBPIOBJAB-LBPRGKRZSA-N -1 0 363.436 -0.362 20 0 FBADRM CCS(=O)(=O)NCCOC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739516855 603279472 /nfs/dbraw/zinc/27/94/72/603279472.db2.gz WJRINCOYKIBCAX-UHFFFAOYSA-N -1 0 351.425 -0.457 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)[C@H](CCSC)NC(=O)[O-])CC1 ZINC000739517226 601940642 /nfs/dbraw/zinc/94/06/42/601940642.db2.gz KNRQYDJLNVZRRC-JTQLQIEISA-N -1 0 353.466 -0.130 20 0 FBADRM CCS(=O)(=O)N1CCC(NC(=O)CN(CCOC)C(=O)[O-])CC1 ZINC000739517280 603105670 /nfs/dbraw/zinc/10/56/70/603105670.db2.gz LMMLVFSEWJPVJN-UHFFFAOYSA-N -1 0 351.425 -0.457 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739517349 603173925 /nfs/dbraw/zinc/17/39/25/603173925.db2.gz WNHYNEHDNSSJTC-UHFFFAOYSA-N -1 0 350.441 -0.884 20 0 FBADRM CCS(=O)(=O)C[C@@H](C)NC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739517522 602962014 /nfs/dbraw/zinc/96/20/14/602962014.db2.gz VFXPWZVHJSXPSA-LLVKDONJSA-N -1 0 350.441 -0.596 20 0 FBADRM CCS(=O)(=O)C[C@H](C)NC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739517523 602961862 /nfs/dbraw/zinc/96/18/62/602961862.db2.gz VFXPWZVHJSXPSA-NSHDSACASA-N -1 0 350.441 -0.596 20 0 FBADRM CCS(=O)(=O)CCNC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739517994 602102892 /nfs/dbraw/zinc/10/28/92/602102892.db2.gz WRVFUGRDYGRFQD-UHFFFAOYSA-N -1 0 359.408 -0.243 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)NC[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000739518152 602852306 /nfs/dbraw/zinc/85/23/06/602852306.db2.gz NDEYMSBBJVMROB-LLVKDONJSA-N -1 0 350.441 -0.045 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)NC[C@H](NC(=O)[O-])C(C)C)CC1 ZINC000739518154 602852559 /nfs/dbraw/zinc/85/25/59/602852559.db2.gz NDEYMSBBJVMROB-NSHDSACASA-N -1 0 350.441 -0.045 20 0 FBADRM CCS(=O)(=O)CCN1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739518176 603062936 /nfs/dbraw/zinc/06/29/36/603062936.db2.gz XWDKOOVLRXFYTE-CYBMUJFWSA-N -1 0 361.464 -0.045 20 0 FBADRM CCS(=O)(=O)CCN1CCC[C@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739518179 603062987 /nfs/dbraw/zinc/06/29/87/603062987.db2.gz XWDKOOVLRXFYTE-ZDUSSCGKSA-N -1 0 361.464 -0.045 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000739518280 603125602 /nfs/dbraw/zinc/12/56/02/603125602.db2.gz QBWGBWUKUICPLF-GHMZBOCLSA-N -1 0 363.436 -0.016 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000739518283 603125652 /nfs/dbraw/zinc/12/56/52/603125652.db2.gz QBWGBWUKUICPLF-MNOVXSKESA-N -1 0 363.436 -0.016 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000739518286 603125628 /nfs/dbraw/zinc/12/56/28/603125628.db2.gz QBWGBWUKUICPLF-QWRGUYRKSA-N -1 0 363.436 -0.016 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000739518288 603125581 /nfs/dbraw/zinc/12/55/81/603125581.db2.gz QBWGBWUKUICPLF-WDEREUQCSA-N -1 0 363.436 -0.016 20 0 FBADRM CC[S@@](=O)CCNC(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739518881 603128075 /nfs/dbraw/zinc/12/80/75/603128075.db2.gz KVVWOTFRUJYNBJ-APXPCNQMSA-N -1 0 362.452 -0.440 20 0 FBADRM CC[S@](=O)CCNC(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739518882 603127583 /nfs/dbraw/zinc/12/75/83/603127583.db2.gz KVVWOTFRUJYNBJ-BUBHHJDNSA-N -1 0 362.452 -0.440 20 0 FBADRM CC[S@](=O)CCNC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739518883 603127805 /nfs/dbraw/zinc/12/78/05/603127805.db2.gz KVVWOTFRUJYNBJ-JNDILOIQSA-N -1 0 362.452 -0.440 20 0 FBADRM CC[S@@](=O)CCNC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739518884 603127703 /nfs/dbraw/zinc/12/77/03/603127703.db2.gz KVVWOTFRUJYNBJ-YDGUKXNOSA-N -1 0 362.452 -0.440 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739519106 602095769 /nfs/dbraw/zinc/09/57/69/602095769.db2.gz UCRNKDBTHFLNPF-LLVKDONJSA-N -1 0 350.441 -0.043 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739519109 602095424 /nfs/dbraw/zinc/09/54/24/602095424.db2.gz UCRNKDBTHFLNPF-NSHDSACASA-N -1 0 350.441 -0.043 20 0 FBADRM O=C([O-])C1=NC2=NS(=O)(=O)c3ccccc3N2N1CCn1cncn1 ZINC000739519576 600117196 /nfs/dbraw/zinc/11/71/96/600117196.db2.gz IWDREIQHXHDKAD-UHFFFAOYSA-N -1 0 361.343 -0.443 20 0 FBADRM O=C([O-])C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC(=O)N1CCC1 ZINC000739519693 600116204 /nfs/dbraw/zinc/11/62/04/600116204.db2.gz LVFADDMPLMHDEW-UHFFFAOYSA-N -1 0 363.355 -0.503 20 0 FBADRM O=C([O-])C1=NC2=NS(=O)(=O)c3ccccc3N2N1CCOCCO ZINC000739519751 600582362 /nfs/dbraw/zinc/58/23/62/600582362.db2.gz NWKWMRKCSVJXEQ-UHFFFAOYSA-N -1 0 354.344 -0.726 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 ZINC000739525155 603114511 /nfs/dbraw/zinc/11/45/11/603114511.db2.gz KOFRXOWZHCHIPT-VIFPVBQESA-N -1 0 356.408 -0.333 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 ZINC000739527491 602358821 /nfs/dbraw/zinc/35/88/21/602358821.db2.gz YPWJQBOURJONQB-NSHDSACASA-N -1 0 350.441 -0.237 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000739528465 601863560 /nfs/dbraw/zinc/86/35/60/601863560.db2.gz OUMUKUJTZGZSSU-ZDUSSCGKSA-N -1 0 362.386 -0.079 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000739528943 602510629 /nfs/dbraw/zinc/51/06/29/602510629.db2.gz ALUJNFOOHXSWCQ-NSHDSACASA-N -1 0 372.403 -0.304 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000739529045 603119070 /nfs/dbraw/zinc/11/90/70/603119070.db2.gz UCIIBUXAAFCROL-LBPRGKRZSA-N -1 0 373.431 -0.038 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000739529656 603064291 /nfs/dbraw/zinc/06/42/91/603064291.db2.gz HRLQGRWQULPCLY-LBPRGKRZSA-N -1 0 373.435 -0.264 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000739530402 602546090 /nfs/dbraw/zinc/54/60/90/602546090.db2.gz ISKWMVOJVWHWMO-MNOVXSKESA-N -1 0 351.425 -0.363 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000739530406 602545944 /nfs/dbraw/zinc/54/59/44/602545944.db2.gz ISKWMVOJVWHWMO-QWRGUYRKSA-N -1 0 351.425 -0.363 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000739532413 601963497 /nfs/dbraw/zinc/96/34/97/601963497.db2.gz WHGUISGIPJLWFZ-LBPRGKRZSA-N -1 0 364.406 -0.322 20 0 FBADRM CCc1cc(NC(=O)C(=O)NCCCN2CCN(C(=O)[O-])CC2)no1 ZINC000739537448 603155680 /nfs/dbraw/zinc/15/56/80/603155680.db2.gz GLIXKYKUWVUEOH-UHFFFAOYSA-N -1 0 353.379 -0.023 20 0 FBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000739537859 600609282 /nfs/dbraw/zinc/60/92/82/600609282.db2.gz CTIQYGYJGCJBSQ-CHWSQXEVSA-N -1 0 360.432 -0.204 20 0 FBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000739537861 600609329 /nfs/dbraw/zinc/60/93/29/600609329.db2.gz CTIQYGYJGCJBSQ-OLZOCXBDSA-N -1 0 360.432 -0.204 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000739537864 600609068 /nfs/dbraw/zinc/60/90/68/600609068.db2.gz CTIQYGYJGCJBSQ-QWHCGFSZSA-N -1 0 360.432 -0.204 20 0 FBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000739537865 600609291 /nfs/dbraw/zinc/60/92/91/600609291.db2.gz CTIQYGYJGCJBSQ-STQMWFEESA-N -1 0 360.432 -0.204 20 0 FBADRM CCc1cc(NC(=O)C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)no1 ZINC000739538833 603155722 /nfs/dbraw/zinc/15/57/22/603155722.db2.gz LILYTILECPJRFK-UHFFFAOYSA-N -1 0 353.335 -0.886 20 0 FBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000739539170 600395311 /nfs/dbraw/zinc/39/53/11/600395311.db2.gz QXRKYSSFJBVCIM-OLZOCXBDSA-N -1 0 361.402 -0.318 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000739539174 600395441 /nfs/dbraw/zinc/39/54/41/600395441.db2.gz QXRKYSSFJBVCIM-QWHCGFSZSA-N -1 0 361.402 -0.318 20 0 FBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000739539177 600395422 /nfs/dbraw/zinc/39/54/22/600395422.db2.gz QXRKYSSFJBVCIM-STQMWFEESA-N -1 0 361.402 -0.318 20 0 FBADRM CCc1cc(NC(=O)C(=O)NCCCN2CCN(C(=O)[O-])CC2)n(C)n1 ZINC000739539970 602759253 /nfs/dbraw/zinc/75/92/53/602759253.db2.gz RIODYXWXZCLZDJ-UHFFFAOYSA-N -1 0 366.422 -0.277 20 0 FBADRM CCc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1S(N)(=O)=O ZINC000739540422 603189907 /nfs/dbraw/zinc/18/99/07/603189907.db2.gz ALIGQJTTXBCVLP-GHMZBOCLSA-N -1 0 357.388 -0.052 20 0 FBADRM CCc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1S(N)(=O)=O ZINC000739540425 603189926 /nfs/dbraw/zinc/18/99/26/603189926.db2.gz ALIGQJTTXBCVLP-MNOVXSKESA-N -1 0 357.388 -0.052 20 0 FBADRM CCc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1S(N)(=O)=O ZINC000739540430 603190042 /nfs/dbraw/zinc/19/00/42/603190042.db2.gz ALIGQJTTXBCVLP-QWRGUYRKSA-N -1 0 357.388 -0.052 20 0 FBADRM CCc1ccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1S(N)(=O)=O ZINC000739540433 603189941 /nfs/dbraw/zinc/18/99/41/603189941.db2.gz ALIGQJTTXBCVLP-WDEREUQCSA-N -1 0 357.388 -0.052 20 0 FBADRM CCc1ccc(NC(=O)C(=O)NCCCNC(=O)[O-])cc1S(N)(=O)=O ZINC000739540469 603411071 /nfs/dbraw/zinc/41/10/71/603411071.db2.gz AVXZDDFVLVGPOT-UHFFFAOYSA-N -1 0 372.403 -0.391 20 0 FBADRM CCc1cc(NC(=O)C(=O)NCCN2CCN(C(=O)[O-])CC2)n(C)n1 ZINC000739540488 603409364 /nfs/dbraw/zinc/40/93/64/603409364.db2.gz WWMAYQYHPIDKAW-UHFFFAOYSA-N -1 0 352.395 -0.667 20 0 FBADRM CCc1ccc(NC(=O)C(=O)NCCNC(=O)[O-])cc1S(N)(=O)=O ZINC000739541031 603401943 /nfs/dbraw/zinc/40/19/43/603401943.db2.gz CVRRSCCZNFIJIX-UHFFFAOYSA-N -1 0 358.376 -0.781 20 0 FBADRM CCc1ccc(NC(=O)C(=O)NCCN(C)C(=O)[O-])cc1S(N)(=O)=O ZINC000739542229 602764592 /nfs/dbraw/zinc/76/45/92/602764592.db2.gz NRQLASYARWBMSC-UHFFFAOYSA-N -1 0 372.403 -0.439 20 0 FBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000739543485 600261935 /nfs/dbraw/zinc/26/19/35/600261935.db2.gz AZFGNJMDXSWFEV-BFHYXJOUSA-N -1 0 374.459 -0.555 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000739543488 600262104 /nfs/dbraw/zinc/26/21/04/600262104.db2.gz AZFGNJMDXSWFEV-HZSPNIEDSA-N -1 0 374.459 -0.555 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000739543491 600261893 /nfs/dbraw/zinc/26/18/93/600261893.db2.gz AZFGNJMDXSWFEV-MELADBBJSA-N -1 0 374.459 -0.555 20 0 FBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000739543494 600262113 /nfs/dbraw/zinc/26/21/13/600262113.db2.gz AZFGNJMDXSWFEV-MGPQQGTHSA-N -1 0 374.459 -0.555 20 0 FBADRM CCc1nc(CN2CCN(C(=O)CN(CCOC)C(=O)[O-])CC2)no1 ZINC000739550715 603112155 /nfs/dbraw/zinc/11/21/55/603112155.db2.gz DFQUFGLRQXRVJO-UHFFFAOYSA-N -1 0 355.395 -0.097 20 0 FBADRM CCc1nc(CN2CCN(C(=O)[C@H]3COCCN3C(=O)[O-])CC2)no1 ZINC000739551299 602897379 /nfs/dbraw/zinc/89/73/79/602897379.db2.gz FYGZGUQYJPKRID-LLVKDONJSA-N -1 0 353.379 -0.345 20 0 FBADRM CCc1nc(CN2CCN(C(=O)[C@@H]3COCCN3C(=O)[O-])CC2)no1 ZINC000739551304 602897095 /nfs/dbraw/zinc/89/70/95/602897095.db2.gz FYGZGUQYJPKRID-NSHDSACASA-N -1 0 353.379 -0.345 20 0 FBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000739553665 600176706 /nfs/dbraw/zinc/17/67/06/600176706.db2.gz ABGHPGSKCSSGBR-GHMZBOCLSA-N -1 0 350.327 -0.172 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000739553666 600176760 /nfs/dbraw/zinc/17/67/60/600176760.db2.gz ABGHPGSKCSSGBR-MNOVXSKESA-N -1 0 350.327 -0.172 20 0 FBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000739553667 600176625 /nfs/dbraw/zinc/17/66/25/600176625.db2.gz ABGHPGSKCSSGBR-QWRGUYRKSA-N -1 0 350.327 -0.172 20 0 FBADRM O=C([O-])[C@H]1C[C@H]1C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000739553668 600176696 /nfs/dbraw/zinc/17/66/96/600176696.db2.gz ABGHPGSKCSSGBR-WDEREUQCSA-N -1 0 350.327 -0.172 20 0 FBADRM CCc1nnc2n1C[C@@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)CC2 ZINC000739555618 602999649 /nfs/dbraw/zinc/99/96/49/602999649.db2.gz ANYYNYHVQSEFOM-JTQLQIEISA-N -1 0 350.379 -0.906 20 0 FBADRM CCc1nnc2n1C[C@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)CC2 ZINC000739555620 602999626 /nfs/dbraw/zinc/99/96/26/602999626.db2.gz ANYYNYHVQSEFOM-SNVBAGLBSA-N -1 0 350.379 -0.906 20 0 FBADRM CCc1nc2n(n1)C[C@H](NC(=O)NCCN1CCN(C(=O)[O-])CC1)CC2 ZINC000739556040 603358162 /nfs/dbraw/zinc/35/81/62/603358162.db2.gz BAGHDPVRITYPIF-GFCCVEGCSA-N -1 0 365.438 -0.250 20 0 FBADRM CCc1nc2n(n1)C[C@@H](NC(=O)NCCN1CCN(C(=O)[O-])CC1)CC2 ZINC000739556044 603358099 /nfs/dbraw/zinc/35/80/99/603358099.db2.gz BAGHDPVRITYPIF-LBPRGKRZSA-N -1 0 365.438 -0.250 20 0 FBADRM CCc1nnnn1-c1ccccc1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739557033 603031963 /nfs/dbraw/zinc/03/19/63/603031963.db2.gz VQQUAFHWEFWYIK-UHFFFAOYSA-N -1 0 373.373 -0.015 20 0 FBADRM CCc1nnc2n1CCN(C(=O)NCCN1CCN(C(=O)[O-])CC1)C2 ZINC000739557067 602623171 /nfs/dbraw/zinc/62/31/71/602623171.db2.gz XFUTUBAOUPTPEQ-UHFFFAOYSA-N -1 0 351.411 -0.339 20 0 FBADRM CCc1nc(CCNC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)no1 ZINC000739558146 602667427 /nfs/dbraw/zinc/66/74/27/602667427.db2.gz ZTDIAHQIAHTLOU-UHFFFAOYSA-N -1 0 354.367 -0.704 20 0 FBADRM CCc1nc2n(n1)C[C@@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)CC2 ZINC000739559218 603030748 /nfs/dbraw/zinc/03/07/48/603030748.db2.gz XQPMXBFNMQOOMK-JTQLQIEISA-N -1 0 350.379 -0.906 20 0 FBADRM CCc1nc2n(n1)C[C@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)CC2 ZINC000739559221 603030443 /nfs/dbraw/zinc/03/04/43/603030443.db2.gz XQPMXBFNMQOOMK-SNVBAGLBSA-N -1 0 350.379 -0.906 20 0 FBADRM CCc1nnc2n1CCN(C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)C2 ZINC000739560951 602620571 /nfs/dbraw/zinc/62/05/71/602620571.db2.gz WSALVRJAJVRNNC-UHFFFAOYSA-N -1 0 365.394 -0.812 20 0 FBADRM CCn1c(N)c(C(=O)CN2CC[C@H](CN(C)C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000739561550 602537341 /nfs/dbraw/zinc/53/73/41/602537341.db2.gz AYDLLYKHEXBTDU-SECBINFHSA-N -1 0 353.379 -0.335 20 0 FBADRM CCn1c(N)c(C(=O)CN2CC[C@@H](CN(C)C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000739561552 602537751 /nfs/dbraw/zinc/53/77/51/602537751.db2.gz AYDLLYKHEXBTDU-VIFPVBQESA-N -1 0 353.379 -0.335 20 0 FBADRM CCn1c(N)c(C(=O)CN2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)c(=O)[nH]c1=O ZINC000739561579 602831595 /nfs/dbraw/zinc/83/15/95/602831595.db2.gz BPSABAYTFNUKBX-DTORHVGOSA-N -1 0 353.379 -0.194 20 0 FBADRM CCn1c(N)c(C(=O)CN2C[C@H](C)N(C(=O)[O-])[C@@H](C)C2)c(=O)[nH]c1=O ZINC000739561581 602831546 /nfs/dbraw/zinc/83/15/46/602831546.db2.gz BPSABAYTFNUKBX-IUCAKERBSA-N -1 0 353.379 -0.194 20 0 FBADRM CCn1c(N)c(C(=O)CN2C[C@@H](C)N(C(=O)[O-])[C@H](C)C2)c(=O)[nH]c1=O ZINC000739561582 602831432 /nfs/dbraw/zinc/83/14/32/602831432.db2.gz BPSABAYTFNUKBX-RKDXNWHRSA-N -1 0 353.379 -0.194 20 0 FBADRM CCN1C(=S)N=NC1CCNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739562549 603028187 /nfs/dbraw/zinc/02/81/87/603028187.db2.gz AHDBMMDNHMBAAG-UHFFFAOYSA-N -1 0 356.408 -0.932 20 0 FBADRM CCn1c(=O)c(C(=O)CN(C)CC(=O)[O-])c(N)n(Cc2ccccc2)c1=O ZINC000739562592 596907356 /nfs/dbraw/zinc/90/73/56/596907356.db2.gz RSPUJSAWRDSUSN-UHFFFAOYSA-N -1 0 374.397 -0.141 20 0 FBADRM CCn1cc(CN(C)C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)cn1 ZINC000739562817 603042506 /nfs/dbraw/zinc/04/25/06/603042506.db2.gz GJOUFASRHPXUME-UHFFFAOYSA-N -1 0 352.395 -0.133 20 0 FBADRM O=C([O-])C1CCC(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000739563526 600074978 /nfs/dbraw/zinc/07/49/78/600074978.db2.gz OXDXRTZUZQRLSY-SHARSMKWSA-N -1 0 367.446 -0.073 20 0 FBADRM O=C([O-])C1CCC(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000739563528 600075163 /nfs/dbraw/zinc/07/51/63/600075163.db2.gz OXDXRTZUZQRLSY-SLTAFYQDSA-N -1 0 367.446 -0.073 20 0 FBADRM O=C([O-])C1CCC(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC000739563671 600028080 /nfs/dbraw/zinc/02/80/80/600028080.db2.gz UMKRSESTDIBFLB-UHFFFAOYSA-N -1 0 365.394 -0.830 20 0 FBADRM O=C([O-])C1CCC(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000739563673 600074431 /nfs/dbraw/zinc/07/44/31/600074431.db2.gz VDCLXFKJWWTBMY-KPFVRQRISA-N -1 0 372.443 -0.218 20 0 FBADRM O=C([O-])C1CCC(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000739563675 600074093 /nfs/dbraw/zinc/07/40/93/600074093.db2.gz VDCLXFKJWWTBMY-MVKMKZAISA-N -1 0 372.443 -0.218 20 0 FBADRM O=C([O-])C1CCC(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000739563676 600074903 /nfs/dbraw/zinc/07/49/03/600074903.db2.gz VDCLXFKJWWTBMY-POOIEITISA-N -1 0 372.443 -0.218 20 0 FBADRM O=C([O-])C1CCC(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000739563677 600074873 /nfs/dbraw/zinc/07/48/73/600074873.db2.gz VDCLXFKJWWTBMY-PYNQCMFNSA-N -1 0 372.443 -0.218 20 0 FBADRM CCn1c(N)c(C(=O)CN2CCC[C@@H](N(C)C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000739564985 601979039 /nfs/dbraw/zinc/97/90/39/601979039.db2.gz VZWMSELUVLQLBQ-SECBINFHSA-N -1 0 353.379 -0.192 20 0 FBADRM CCn1c(N)c(C(=O)CN2CCC[C@H](N(C)C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000739564987 601979178 /nfs/dbraw/zinc/97/91/78/601979178.db2.gz VZWMSELUVLQLBQ-VIFPVBQESA-N -1 0 353.379 -0.192 20 0 FBADRM CCn1c(N)c(C(=O)CN2CC[C@H](NC(=O)[O-])[C@H](C)C2)c(=O)[nH]c1=O ZINC000739565697 602782149 /nfs/dbraw/zinc/78/21/49/602782149.db2.gz ZRIAQIREQAMWJA-BDAKNGLRSA-N -1 0 353.379 -0.288 20 0 FBADRM CCn1c(N)c(C(=O)CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c(=O)[nH]c1=O ZINC000739565701 602782468 /nfs/dbraw/zinc/78/24/68/602782468.db2.gz ZRIAQIREQAMWJA-DTWKUNHWSA-N -1 0 353.379 -0.288 20 0 FBADRM CCn1c(N)c(C(=O)CN2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c(=O)[nH]c1=O ZINC000739565702 602782303 /nfs/dbraw/zinc/78/23/03/602782303.db2.gz ZRIAQIREQAMWJA-IUCAKERBSA-N -1 0 353.379 -0.288 20 0 FBADRM CCn1c(N)c(C(=O)CN2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c(=O)[nH]c1=O ZINC000739565705 602782445 /nfs/dbraw/zinc/78/24/45/602782445.db2.gz ZRIAQIREQAMWJA-RKDXNWHRSA-N -1 0 353.379 -0.288 20 0 FBADRM CCn1cc(NC(=O)C(=O)NCCN2CCN(C(=O)[O-])CC2)ccc1=O ZINC000739567364 603409318 /nfs/dbraw/zinc/40/93/18/603409318.db2.gz QDFCQNYGTMWJPV-UHFFFAOYSA-N -1 0 365.390 -0.782 20 0 FBADRM CCn1cnnc1[C@@H]1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739569399 603026452 /nfs/dbraw/zinc/02/64/52/603026452.db2.gz AIYITYVRAIRSNI-GFCCVEGCSA-N -1 0 364.406 -0.174 20 0 FBADRM CCn1cnnc1[C@H]1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739569401 603026513 /nfs/dbraw/zinc/02/65/13/603026513.db2.gz AIYITYVRAIRSNI-LBPRGKRZSA-N -1 0 364.406 -0.174 20 0 FBADRM CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)cn1 ZINC000739570027 602043506 /nfs/dbraw/zinc/04/35/06/602043506.db2.gz MCEGDKMYHJRSQP-LLVKDONJSA-N -1 0 373.435 -0.313 20 0 FBADRM CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)cn1 ZINC000739570028 602043824 /nfs/dbraw/zinc/04/38/24/602043824.db2.gz MCEGDKMYHJRSQP-NSHDSACASA-N -1 0 373.435 -0.313 20 0 FBADRM CCn1cc(S(=O)(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)cn1 ZINC000739570339 602043409 /nfs/dbraw/zinc/04/34/09/602043409.db2.gz OTPCTDXXXSQIIF-UHFFFAOYSA-N -1 0 359.408 -0.654 20 0 FBADRM CCn1ccnc1CN1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739570659 602901204 /nfs/dbraw/zinc/90/12/04/602901204.db2.gz SPAMAKGDNAMWFE-CYBMUJFWSA-N -1 0 351.407 -0.074 20 0 FBADRM CCn1ccnc1CN1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000739570660 602901027 /nfs/dbraw/zinc/90/10/27/602901027.db2.gz SPAMAKGDNAMWFE-ZDUSSCGKSA-N -1 0 351.407 -0.074 20 0 FBADRM CN(C(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000739571552 602087116 /nfs/dbraw/zinc/08/71/16/602087116.db2.gz MZIVTSGAZJSVQU-SECBINFHSA-N -1 0 356.360 -0.245 20 0 FBADRM CN(C(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1)[C@H]1CCS(=O)(=O)C1 ZINC000739571554 602087222 /nfs/dbraw/zinc/08/72/22/602087222.db2.gz MZIVTSGAZJSVQU-VIFPVBQESA-N -1 0 356.360 -0.245 20 0 FBADRM CCn1nc(C(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)ccc1=O ZINC000739571906 602494476 /nfs/dbraw/zinc/49/44/76/602494476.db2.gz FTFHNOFGDCYFMY-LLVKDONJSA-N -1 0 365.390 -0.501 20 0 FBADRM CCn1nc(C(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)ccc1=O ZINC000739571908 602494477 /nfs/dbraw/zinc/49/44/77/602494477.db2.gz FTFHNOFGDCYFMY-NSHDSACASA-N -1 0 365.390 -0.501 20 0 FBADRM CN(C(=O)CN1CCN(C(=O)[O-])CC1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000739572419 602996326 /nfs/dbraw/zinc/99/63/26/602996326.db2.gz OQBYDJZWUPVZMX-UHFFFAOYSA-N -1 0 369.399 -0.125 20 0 FBADRM CN(C(=O)CCn1cc(S(N)(=O)=O)cn1)C1CCN(C(=O)[O-])CC1 ZINC000739572493 661792976 /nfs/dbraw/zinc/79/29/76/661792976.db2.gz QAOUTSPZYLNCBQ-UHFFFAOYSA-N -1 0 359.408 -0.479 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000739572795 600037536 /nfs/dbraw/zinc/03/75/36/600037536.db2.gz KFNJKFFFJQDFCH-KBPBESRZSA-N -1 0 353.419 -0.510 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000739572797 600037307 /nfs/dbraw/zinc/03/73/07/600037307.db2.gz KFNJKFFFJQDFCH-KGLIPLIRSA-N -1 0 353.419 -0.510 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000739572799 600037696 /nfs/dbraw/zinc/03/76/96/600037696.db2.gz KFNJKFFFJQDFCH-UONOGXRCSA-N -1 0 353.419 -0.510 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000739572801 600037273 /nfs/dbraw/zinc/03/72/73/600037273.db2.gz KFNJKFFFJQDFCH-ZIAGYGMSSA-N -1 0 353.419 -0.510 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000739572866 600014783 /nfs/dbraw/zinc/01/47/83/600014783.db2.gz YGQXOPBZCZKUIU-GHMZBOCLSA-N -1 0 371.415 -0.525 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000739572869 600014639 /nfs/dbraw/zinc/01/46/39/600014639.db2.gz YGQXOPBZCZKUIU-MNOVXSKESA-N -1 0 371.415 -0.525 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000739572871 600020610 /nfs/dbraw/zinc/02/06/10/600020610.db2.gz YGQXOPBZCZKUIU-QWRGUYRKSA-N -1 0 371.415 -0.525 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000739572873 600020699 /nfs/dbraw/zinc/02/06/99/600020699.db2.gz YGQXOPBZCZKUIU-WDEREUQCSA-N -1 0 371.415 -0.525 20 0 FBADRM CCn1cnnc1C1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000739573643 603026439 /nfs/dbraw/zinc/02/64/39/603026439.db2.gz PSYZXVYOSAPFTA-UHFFFAOYSA-N -1 0 364.406 -0.174 20 0 FBADRM CCn1nc(C(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)ccc1=O ZINC000739574480 602493080 /nfs/dbraw/zinc/49/30/80/602493080.db2.gz WUXSGCZXXLVJPZ-UHFFFAOYSA-N -1 0 351.363 -0.843 20 0 FBADRM CN(C(=O)[C@H]1CSCN1C(=O)CN1CCN(C(=O)[O-])CC1=O)C1CC1 ZINC000739574755 603004604 /nfs/dbraw/zinc/00/46/04/603004604.db2.gz QGFQUAHZKVUYCU-LLVKDONJSA-N -1 0 370.431 -0.669 20 0 FBADRM CN(C(=O)[C@@H]1CSCN1C(=O)CN1CCN(C(=O)[O-])CC1=O)C1CC1 ZINC000739574757 603004540 /nfs/dbraw/zinc/00/45/40/603004540.db2.gz QGFQUAHZKVUYCU-NSHDSACASA-N -1 0 370.431 -0.669 20 0 FBADRM CN(C(=O)COCCNC(=O)[O-])S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000739575032 602675644 /nfs/dbraw/zinc/67/56/44/602675644.db2.gz GSSLOOJDQVWQFV-UHFFFAOYSA-N -1 0 374.371 -0.111 20 0 FBADRM CN(C(=O)[C@@H]1COCCN1C(=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000739576450 602903316 /nfs/dbraw/zinc/90/33/16/602903316.db2.gz ZODILEKXRLRUTI-BDAKNGLRSA-N -1 0 353.297 -0.013 20 0 FBADRM CN(C(=O)[C@H]1COCCN1C(=O)[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000739576461 602903466 /nfs/dbraw/zinc/90/34/66/602903466.db2.gz ZODILEKXRLRUTI-DTWKUNHWSA-N -1 0 353.297 -0.013 20 0 FBADRM CN(C(=O)[C@@H]1COCCN1C(=O)[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000739576483 602903144 /nfs/dbraw/zinc/90/31/44/602903144.db2.gz ZODILEKXRLRUTI-IUCAKERBSA-N -1 0 353.297 -0.013 20 0 FBADRM CN(C(=O)[C@H]1COCCN1C(=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000739576488 602903336 /nfs/dbraw/zinc/90/33/36/602903336.db2.gz ZODILEKXRLRUTI-RKDXNWHRSA-N -1 0 353.297 -0.013 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)C1 ZINC000739576968 601902521 /nfs/dbraw/zinc/90/25/21/601902521.db2.gz GAKOVKWFSGIEPN-DGMVEKRQSA-N -1 0 350.375 -0.302 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C1 ZINC000739576971 601902488 /nfs/dbraw/zinc/90/24/88/601902488.db2.gz GAKOVKWFSGIEPN-NNNHXZLVSA-N -1 0 350.375 -0.302 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C1 ZINC000739576973 601902415 /nfs/dbraw/zinc/90/24/15/601902415.db2.gz GAKOVKWFSGIEPN-SYTKJHMZSA-N -1 0 350.375 -0.302 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)C1 ZINC000739576975 601902477 /nfs/dbraw/zinc/90/24/77/601902477.db2.gz GAKOVKWFSGIEPN-ZHRWSRJISA-N -1 0 350.375 -0.302 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)C1 ZINC000739579099 602036491 /nfs/dbraw/zinc/03/64/91/602036491.db2.gz MZNIDBOPMWQSMS-JTQLQIEISA-N -1 0 359.408 -0.479 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)C1 ZINC000739579101 602036672 /nfs/dbraw/zinc/03/66/72/602036672.db2.gz MZNIDBOPMWQSMS-SNVBAGLBSA-N -1 0 359.408 -0.479 20 0 FBADRM CN(CCCNC(=O)CN1CCC[C@@H](N(C)C(=O)[O-])C1)S(C)(=O)=O ZINC000739583757 601967108 /nfs/dbraw/zinc/96/71/08/601967108.db2.gz HPWLQTMEYHQCRC-GFCCVEGCSA-N -1 0 364.468 -0.542 20 0 FBADRM CN(CCCNC(=O)CN1CCC[C@H](N(C)C(=O)[O-])C1)S(C)(=O)=O ZINC000739583758 601967360 /nfs/dbraw/zinc/96/73/60/601967360.db2.gz HPWLQTMEYHQCRC-LBPRGKRZSA-N -1 0 364.468 -0.542 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1 ZINC000739585086 601997530 /nfs/dbraw/zinc/99/75/30/601997530.db2.gz BESWAUQTWOQJLA-JTQLQIEISA-N -1 0 354.450 -0.032 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1 ZINC000739585088 601997454 /nfs/dbraw/zinc/99/74/54/601997454.db2.gz BESWAUQTWOQJLA-SNVBAGLBSA-N -1 0 354.450 -0.032 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C1 ZINC000739586557 601898496 /nfs/dbraw/zinc/89/84/96/601898496.db2.gz XKRQXJFJFARFNR-JTQLQIEISA-N -1 0 359.408 -0.701 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C1 ZINC000739586558 601898579 /nfs/dbraw/zinc/89/85/79/601898579.db2.gz XKRQXJFJFARFNR-SNVBAGLBSA-N -1 0 359.408 -0.701 20 0 FBADRM O=C([O-])[C@@H]1CCCN1CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000739587817 600233673 /nfs/dbraw/zinc/23/36/73/600233673.db2.gz SNIIMJINDZKYSW-IHRRRGAJSA-N -1 0 374.459 -0.270 20 0 FBADRM O=C([O-])[C@@H]1CCCN1CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000739587820 600233734 /nfs/dbraw/zinc/23/37/34/600233734.db2.gz SNIIMJINDZKYSW-MCIONIFRSA-N -1 0 374.459 -0.270 20 0 FBADRM O=C([O-])[C@@H]1CCCN1CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000739587824 600233573 /nfs/dbraw/zinc/23/35/73/600233573.db2.gz SNIIMJINDZKYSW-MJBXVCDLSA-N -1 0 374.459 -0.270 20 0 FBADRM O=C([O-])[C@@H]1CCCN1CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000739587828 600233612 /nfs/dbraw/zinc/23/36/12/600233612.db2.gz SNIIMJINDZKYSW-RDBSUJKOSA-N -1 0 374.459 -0.270 20 0 FBADRM O=C([O-])[C@@H]1CCCN1C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000739588434 600192370 /nfs/dbraw/zinc/19/23/70/600192370.db2.gz QNLWFNQWEPGOKF-KBPBESRZSA-N -1 0 353.419 -0.225 20 0 FBADRM O=C([O-])[C@H]1CCCN1C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000739588443 600192356 /nfs/dbraw/zinc/19/23/56/600192356.db2.gz QNLWFNQWEPGOKF-KGLIPLIRSA-N -1 0 353.419 -0.225 20 0 FBADRM O=C([O-])[C@@H]1CCCN1C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000739588446 600192337 /nfs/dbraw/zinc/19/23/37/600192337.db2.gz QNLWFNQWEPGOKF-UONOGXRCSA-N -1 0 353.419 -0.225 20 0 FBADRM O=C([O-])[C@H]1CCCN1C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000739588448 600192450 /nfs/dbraw/zinc/19/24/50/600192450.db2.gz QNLWFNQWEPGOKF-ZIAGYGMSSA-N -1 0 353.419 -0.225 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000739588455 601969931 /nfs/dbraw/zinc/96/99/31/601969931.db2.gz PZBGODRVDIOVIR-SECBINFHSA-N -1 0 350.379 -0.466 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000739588457 601969510 /nfs/dbraw/zinc/96/95/10/601969510.db2.gz PZBGODRVDIOVIR-VIFPVBQESA-N -1 0 350.379 -0.466 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000739591605 600249020 /nfs/dbraw/zinc/24/90/20/600249020.db2.gz DTIDQXOXRCOUBZ-KBPBESRZSA-N -1 0 353.419 -0.367 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000739591607 600249042 /nfs/dbraw/zinc/24/90/42/600249042.db2.gz DTIDQXOXRCOUBZ-KGLIPLIRSA-N -1 0 353.419 -0.367 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000739591609 600248817 /nfs/dbraw/zinc/24/88/17/600248817.db2.gz DTIDQXOXRCOUBZ-UONOGXRCSA-N -1 0 353.419 -0.367 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000739591611 600248810 /nfs/dbraw/zinc/24/88/10/600248810.db2.gz DTIDQXOXRCOUBZ-ZIAGYGMSSA-N -1 0 353.419 -0.367 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 ZINC000739592286 600413433 /nfs/dbraw/zinc/41/34/33/600413433.db2.gz HFOLDFQIGVBVCT-NEPJUHHUSA-N -1 0 363.436 -0.409 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 ZINC000739592287 600413334 /nfs/dbraw/zinc/41/33/34/600413334.db2.gz HFOLDFQIGVBVCT-NWDGAFQWSA-N -1 0 363.436 -0.409 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 ZINC000739592288 600413458 /nfs/dbraw/zinc/41/34/58/600413458.db2.gz HFOLDFQIGVBVCT-RYUDHWBXSA-N -1 0 363.436 -0.409 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 ZINC000739592289 600413423 /nfs/dbraw/zinc/41/34/23/600413423.db2.gz HFOLDFQIGVBVCT-VXGBXAGGSA-N -1 0 363.436 -0.409 20 0 FBADRM CN(C(N)=O)c1ccc(OC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000739593590 603024809 /nfs/dbraw/zinc/02/48/09/603024809.db2.gz JBJLPTSJMGJDRG-UHFFFAOYSA-N -1 0 350.331 -0.071 20 0 FBADRM CN(C(=O)[O-])C1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1 ZINC000739593893 602540101 /nfs/dbraw/zinc/54/01/01/602540101.db2.gz IJRYUKJLBUFGOU-UHFFFAOYSA-N -1 0 354.450 -0.032 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)C1 ZINC000739594384 600116045 /nfs/dbraw/zinc/11/60/45/600116045.db2.gz MNIWYWJFDBVLCD-SECBINFHSA-N -1 0 363.355 -0.356 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)C1 ZINC000739594385 600116320 /nfs/dbraw/zinc/11/63/20/600116320.db2.gz MNIWYWJFDBVLCD-VIFPVBQESA-N -1 0 363.355 -0.356 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000739594485 600281457 /nfs/dbraw/zinc/28/14/57/600281457.db2.gz VZNHPGTVVZGWSS-LLVKDONJSA-N -1 0 351.363 -0.320 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000739594490 600281319 /nfs/dbraw/zinc/28/13/19/600281319.db2.gz VZNHPGTVVZGWSS-NSHDSACASA-N -1 0 351.363 -0.320 20 0 FBADRM CN(C)C(=O)C1(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)CCCC1 ZINC000739594849 603006306 /nfs/dbraw/zinc/00/63/06/603006306.db2.gz BQPAXRDZOHIYLT-UHFFFAOYSA-N -1 0 354.407 -0.427 20 0 FBADRM CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739594865 603007594 /nfs/dbraw/zinc/00/75/94/603007594.db2.gz CCKHBTGHZFGWLX-NEPJUHHUSA-N -1 0 354.407 -0.428 20 0 FBADRM CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739594866 603007763 /nfs/dbraw/zinc/00/77/63/603007763.db2.gz CCKHBTGHZFGWLX-NWDGAFQWSA-N -1 0 354.407 -0.428 20 0 FBADRM CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739594868 603007818 /nfs/dbraw/zinc/00/78/18/603007818.db2.gz CCKHBTGHZFGWLX-RYUDHWBXSA-N -1 0 354.407 -0.428 20 0 FBADRM CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739594870 603007574 /nfs/dbraw/zinc/00/75/74/603007574.db2.gz CCKHBTGHZFGWLX-VXGBXAGGSA-N -1 0 354.407 -0.428 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)nn1 ZINC000739595278 602629212 /nfs/dbraw/zinc/62/92/12/602629212.db2.gz CGYLPYAUUQAQRS-LLVKDONJSA-N -1 0 352.395 -0.124 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)nn1 ZINC000739595281 602629283 /nfs/dbraw/zinc/62/92/83/602629283.db2.gz CGYLPYAUUQAQRS-NSHDSACASA-N -1 0 352.395 -0.124 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@H](N(C)C(=O)[O-])C2)CC1 ZINC000739595475 601967532 /nfs/dbraw/zinc/96/75/32/601967532.db2.gz BFCXJMMITJYKLJ-AWEZNQCLSA-N -1 0 369.466 -0.707 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@@H](N(C)C(=O)[O-])C2)CC1 ZINC000739595477 601967904 /nfs/dbraw/zinc/96/79/04/601967904.db2.gz BFCXJMMITJYKLJ-CQSZACIVSA-N -1 0 369.466 -0.707 20 0 FBADRM CN(C)C(=O)Cc1ccc(NC(=O)C(=O)NCCN(C)C(=O)[O-])cc1 ZINC000739595850 602771385 /nfs/dbraw/zinc/77/13/85/602771385.db2.gz GJWJMHRMDFVWLM-UHFFFAOYSA-N -1 0 350.375 -0.018 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)N2CCC(CN(C)C(=O)[O-])CC2)nn1 ZINC000739595854 602363620 /nfs/dbraw/zinc/36/36/20/602363620.db2.gz GLZLXHJQLBIDHA-UHFFFAOYSA-N -1 0 352.395 -0.172 20 0 FBADRM CN(C)C(=O)COc1ccc(NC(=O)C(=O)NCCN(C)C(=O)[O-])cc1 ZINC000739595862 602768292 /nfs/dbraw/zinc/76/82/92/602768292.db2.gz GQCFONWBVJHTNN-UHFFFAOYSA-N -1 0 366.374 -0.182 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)c2csc(CNC(=O)[O-])n2)CC1 ZINC000739595886 602706214 /nfs/dbraw/zinc/70/62/14/602706214.db2.gz GEFBPJMXXZFAMN-UHFFFAOYSA-N -1 0 355.420 -0.243 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)cn1 ZINC000739595972 603138803 /nfs/dbraw/zinc/13/88/03/603138803.db2.gz IAXSOJMKWLQYMN-UHFFFAOYSA-N -1 0 366.422 -0.016 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)NC[C@H]2CCCN2C(=O)[O-])CC1 ZINC000739596246 602756076 /nfs/dbraw/zinc/75/60/76/602756076.db2.gz JKFKZQYNKUGUPV-CYBMUJFWSA-N -1 0 355.439 -0.019 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)NC[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000739596248 602756089 /nfs/dbraw/zinc/75/60/89/602756089.db2.gz JKFKZQYNKUGUPV-ZDUSSCGKSA-N -1 0 355.439 -0.019 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)N2CCC(NC(=O)[O-])CC2)CC1 ZINC000739596309 602757108 /nfs/dbraw/zinc/75/71/08/602757108.db2.gz KBYDUKSDEJFBBT-UHFFFAOYSA-N -1 0 355.439 -0.019 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)COC(=O)CC(C)(C)NC(=O)[O-])CC1 ZINC000739596396 603129658 /nfs/dbraw/zinc/12/96/58/603129658.db2.gz MRBMHOWLPXUUNF-UHFFFAOYSA-N -1 0 372.422 -0.802 20 0 FBADRM CN(C)C(=O)CNC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739596515 602413837 /nfs/dbraw/zinc/41/38/37/602413837.db2.gz LUQKXACZKRCEHA-GFCCVEGCSA-N -1 0 369.422 -0.682 20 0 FBADRM CN(C)C(=O)CNC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739596517 602413923 /nfs/dbraw/zinc/41/39/23/602413923.db2.gz LUQKXACZKRCEHA-LBPRGKRZSA-N -1 0 369.422 -0.682 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)NCCN(C(=O)[O-])C2CC2)CC1 ZINC000739596603 602756118 /nfs/dbraw/zinc/75/61/18/602756118.db2.gz MWZPMEVWAZAHOE-UHFFFAOYSA-N -1 0 355.439 -0.019 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000739596625 602898431 /nfs/dbraw/zinc/89/84/31/602898431.db2.gz NWCIKBYWKFDBQH-AWEZNQCLSA-N -1 0 370.450 -0.186 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000739596626 602898478 /nfs/dbraw/zinc/89/84/78/602898478.db2.gz NWCIKBYWKFDBQH-CQSZACIVSA-N -1 0 370.450 -0.186 20 0 FBADRM CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NCCCNC(=O)[O-])cc1 ZINC000739596803 602886957 /nfs/dbraw/zinc/88/69/57/602886957.db2.gz MFKAWZMCILAGGX-UHFFFAOYSA-N -1 0 371.415 -0.064 20 0 FBADRM CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NC2CN(C(=O)[O-])C2)cc1 ZINC000739596829 604763032 /nfs/dbraw/zinc/76/30/32/604763032.db2.gz MYRNSAJDOAYTEH-UHFFFAOYSA-N -1 0 369.399 -0.360 20 0 FBADRM CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NCCNC(=O)[O-])cc1 ZINC000739596839 602866936 /nfs/dbraw/zinc/86/69/36/602866936.db2.gz NHZQBMBLHPJXHH-UHFFFAOYSA-N -1 0 357.388 -0.454 20 0 FBADRM CN(C)C(=O)COc1cccc(NC(=O)C(=O)NCCN(C)C(=O)[O-])c1 ZINC000739596919 602768379 /nfs/dbraw/zinc/76/83/79/602768379.db2.gz PGWPTZNMDCTXIR-UHFFFAOYSA-N -1 0 366.374 -0.182 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)N[C@H](CNC(=O)[O-])C2CC2)CC1 ZINC000739596933 603087378 /nfs/dbraw/zinc/08/73/78/603087378.db2.gz SCSZYTUDVIUTJN-CYBMUJFWSA-N -1 0 355.439 -0.116 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)N[C@@H](CNC(=O)[O-])C2CC2)CC1 ZINC000739596934 603087942 /nfs/dbraw/zinc/08/79/42/603087942.db2.gz SCSZYTUDVIUTJN-ZDUSSCGKSA-N -1 0 355.439 -0.116 20 0 FBADRM CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739596946 602993140 /nfs/dbraw/zinc/99/31/40/602993140.db2.gz SOAAKKWKAJZQMC-UHFFFAOYSA-N -1 0 368.312 -0.712 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000739597111 602827655 /nfs/dbraw/zinc/82/76/55/602827655.db2.gz VHOSKWMNKUPEML-CYBMUJFWSA-N -1 0 356.423 -0.622 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000739597112 602827534 /nfs/dbraw/zinc/82/75/34/602827534.db2.gz VHOSKWMNKUPEML-ZDUSSCGKSA-N -1 0 356.423 -0.622 20 0 FBADRM CN(C)C(=O)CNC(=O)C(=O)Nc1cccc(OCCNC(=O)[O-])c1 ZINC000739597146 602290478 /nfs/dbraw/zinc/29/04/78/602290478.db2.gz WTAKCXPTGZFBSP-UHFFFAOYSA-N -1 0 352.347 -0.524 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)N2CC[C@H](CNC(=O)[O-])C2)CC1 ZINC000739597318 602757273 /nfs/dbraw/zinc/75/72/73/602757273.db2.gz ZPPPVSYNHQMTLG-GFCCVEGCSA-N -1 0 355.439 -0.162 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)N2CC[C@@H](CNC(=O)[O-])C2)CC1 ZINC000739597320 602757081 /nfs/dbraw/zinc/75/70/81/602757081.db2.gz ZPPPVSYNHQMTLG-LBPRGKRZSA-N -1 0 355.439 -0.162 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)CC2)c2ccccc2O1 ZINC000739597508 600655758 /nfs/dbraw/zinc/65/57/58/600655758.db2.gz BMTWBCYDHSEKNK-GFCCVEGCSA-N -1 0 368.367 -0.878 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)CC2)c2ccccc2O1 ZINC000739597513 600655757 /nfs/dbraw/zinc/65/57/57/600655757.db2.gz BMTWBCYDHSEKNK-LBPRGKRZSA-N -1 0 368.367 -0.878 20 0 FBADRM CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NCCN(C)C(=O)[O-])cc1 ZINC000739597746 602882511 /nfs/dbraw/zinc/88/25/11/602882511.db2.gz VPKSGYAFZDYVQH-UHFFFAOYSA-N -1 0 371.415 -0.112 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCn3cnnc3C2)c2ccccc2O1 ZINC000739598318 600421145 /nfs/dbraw/zinc/42/11/45/600421145.db2.gz YWVQIKWYKDKODC-GFCCVEGCSA-N -1 0 357.326 -0.501 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCn3cnnc3C2)c2ccccc2O1 ZINC000739598321 600421295 /nfs/dbraw/zinc/42/12/95/600421295.db2.gz YWVQIKWYKDKODC-LBPRGKRZSA-N -1 0 357.326 -0.501 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])nn1 ZINC000739598365 602802779 /nfs/dbraw/zinc/80/27/79/602802779.db2.gz YIQRYISLCDRFFI-GHMZBOCLSA-N -1 0 352.395 -0.078 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])nn1 ZINC000739598366 602802803 /nfs/dbraw/zinc/80/28/03/602802803.db2.gz YIQRYISLCDRFFI-MNOVXSKESA-N -1 0 352.395 -0.078 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])nn1 ZINC000739598367 602802820 /nfs/dbraw/zinc/80/28/20/602802820.db2.gz YIQRYISLCDRFFI-QWRGUYRKSA-N -1 0 352.395 -0.078 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])nn1 ZINC000739598368 602802843 /nfs/dbraw/zinc/80/28/43/602802843.db2.gz YIQRYISLCDRFFI-WDEREUQCSA-N -1 0 352.395 -0.078 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])nn1 ZINC000739598399 603013086 /nfs/dbraw/zinc/01/30/86/603013086.db2.gz ZCFYVILTUWHMJT-FGWVZKOKSA-N -1 0 350.379 -0.231 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)NCCN2CCN(C(=O)[O-])CC2)n1 ZINC000739598523 602051373 /nfs/dbraw/zinc/05/13/73/602051373.db2.gz BXSQJXQRHNQWEW-UHFFFAOYSA-N -1 0 367.410 -0.612 20 0 FBADRM CN(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)CC1 ZINC000739599435 602089102 /nfs/dbraw/zinc/08/91/02/602089102.db2.gz JGTSZPOYUVQROW-UHFFFAOYSA-N -1 0 364.362 -0.064 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])n1 ZINC000739599469 603434691 /nfs/dbraw/zinc/43/46/91/603434691.db2.gz JRNDZQLVDBVJID-JTQLQIEISA-N -1 0 354.367 -0.536 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])n1 ZINC000739599824 603434729 /nfs/dbraw/zinc/43/47/29/603434729.db2.gz JRNDZQLVDBVJID-SNVBAGLBSA-N -1 0 354.367 -0.536 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)n1 ZINC000739599866 603174109 /nfs/dbraw/zinc/17/41/09/603174109.db2.gz KSEDKNRYMVMVHN-UHFFFAOYSA-N -1 0 366.422 -0.016 20 0 FBADRM CN(C)C(=O)c1ccc(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)cc1 ZINC000739600167 602264283 /nfs/dbraw/zinc/26/42/83/602264283.db2.gz KWXMXSDQIOPSTQ-UHFFFAOYSA-N -1 0 362.386 -0.060 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)c2csc(CNC(=O)[O-])n2)n1 ZINC000739600370 603434693 /nfs/dbraw/zinc/43/46/93/603434693.db2.gz OUYWYKQTPVCRHM-UHFFFAOYSA-N -1 0 353.364 -0.157 20 0 FBADRM CN(C)C(=O)c1cccc(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c1 ZINC000739600928 602294132 /nfs/dbraw/zinc/29/41/32/602294132.db2.gz UEWGZYZFUPPKFQ-UHFFFAOYSA-N -1 0 362.386 -0.060 20 0 FBADRM CN(C)C(=O)c1cccc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000739601149 602991070 /nfs/dbraw/zinc/99/10/70/602991070.db2.gz XIMHGPAZNDEOTI-UHFFFAOYSA-N -1 0 362.386 -0.173 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)n1 ZINC000739601279 603434771 /nfs/dbraw/zinc/43/47/71/603434771.db2.gz ZSLSJBFRCWTQTH-UHFFFAOYSA-N -1 0 367.410 -0.621 20 0 FBADRM CN(C)C(=O)c1ccc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000739601418 602987603 /nfs/dbraw/zinc/98/76/03/602987603.db2.gz QPRYGDNKYXUJDO-UHFFFAOYSA-N -1 0 362.386 -0.173 20 0 FBADRM CN(C)CCN(CC(=O)[O-])C(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000739606486 596901278 /nfs/dbraw/zinc/90/12/78/596901278.db2.gz VNUSEPJWLGTSGB-UHFFFAOYSA-N -1 0 368.415 -0.174 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(CNC(=O)COCCNC(=O)[O-])cc1 ZINC000739610375 602660909 /nfs/dbraw/zinc/66/09/09/602660909.db2.gz CDFRJAOJEAWHNR-UHFFFAOYSA-N -1 0 359.404 -0.163 20 0 FBADRM CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCC(=O)[O-] ZINC000739610653 597046142 /nfs/dbraw/zinc/04/61/42/597046142.db2.gz GAAOENVXGAVQBD-UHFFFAOYSA-N -1 0 355.372 -0.973 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])o1 ZINC000739610691 603149579 /nfs/dbraw/zinc/14/95/79/603149579.db2.gz HXOLMPJOXQXPJV-PSASIEDQSA-N -1 0 362.360 -0.314 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])o1 ZINC000739610692 603149479 /nfs/dbraw/zinc/14/94/79/603149479.db2.gz HXOLMPJOXQXPJV-SCZZXKLOSA-N -1 0 362.360 -0.314 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])o1 ZINC000739610693 603149580 /nfs/dbraw/zinc/14/95/80/603149580.db2.gz HXOLMPJOXQXPJV-WCBMZHEXSA-N -1 0 362.360 -0.314 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])o1 ZINC000739610694 603149497 /nfs/dbraw/zinc/14/94/97/603149497.db2.gz HXOLMPJOXQXPJV-WPRPVWTQSA-N -1 0 362.360 -0.314 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCCCNC(=O)[O-])c1 ZINC000739611107 602388970 /nfs/dbraw/zinc/38/89/70/602388970.db2.gz NCLDXDNYGNAOCW-UHFFFAOYSA-N -1 0 365.433 -0.127 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC2CN(C(=O)[O-])C2)c1 ZINC000739611307 604413555 /nfs/dbraw/zinc/41/35/55/604413555.db2.gz OFXJOOPJARBSMP-UHFFFAOYSA-N -1 0 363.417 -0.423 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000739611398 603059815 /nfs/dbraw/zinc/05/98/15/603059815.db2.gz RMKVCADPZFWWPH-CMPLNLGQSA-N -1 0 357.388 -0.011 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000739611399 603059869 /nfs/dbraw/zinc/05/98/69/603059869.db2.gz RMKVCADPZFWWPH-JQWIXIFHSA-N -1 0 357.388 -0.011 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000739611400 603059825 /nfs/dbraw/zinc/05/98/25/603059825.db2.gz RMKVCADPZFWWPH-PWSUYJOCSA-N -1 0 357.388 -0.011 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000739611401 603059682 /nfs/dbraw/zinc/05/96/82/603059682.db2.gz RMKVCADPZFWWPH-ZYHUDNBSSA-N -1 0 357.388 -0.011 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739611936 603064477 /nfs/dbraw/zinc/06/44/77/603064477.db2.gz SCTINMLZUGJTAS-NEPJUHHUSA-N -1 0 371.415 -0.334 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739611937 603064765 /nfs/dbraw/zinc/06/47/65/603064765.db2.gz SCTINMLZUGJTAS-NWDGAFQWSA-N -1 0 371.415 -0.334 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739611939 603064549 /nfs/dbraw/zinc/06/45/49/603064549.db2.gz SCTINMLZUGJTAS-RYUDHWBXSA-N -1 0 371.415 -0.334 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739611940 603064604 /nfs/dbraw/zinc/06/46/04/603064604.db2.gz SCTINMLZUGJTAS-VXGBXAGGSA-N -1 0 371.415 -0.334 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H]2COCCN2C(=O)[O-])cc1 ZINC000739612429 602850467 /nfs/dbraw/zinc/85/04/67/602850467.db2.gz XVTJYFKOEPQBHD-CYBMUJFWSA-N -1 0 371.415 -0.068 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2COCCN2C(=O)[O-])cc1 ZINC000739612430 602850550 /nfs/dbraw/zinc/85/05/50/602850550.db2.gz XVTJYFKOEPQBHD-ZDUSSCGKSA-N -1 0 371.415 -0.068 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCNC(=O)[O-])c1 ZINC000739612452 602427466 /nfs/dbraw/zinc/42/74/66/602427466.db2.gz YYFOEZCSKDPRCH-UHFFFAOYSA-N -1 0 372.403 -0.351 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCCNC(=O)[O-])cc1 ZINC000739612518 602389036 /nfs/dbraw/zinc/38/90/36/602389036.db2.gz ZWZHYWSYFYAGTI-UHFFFAOYSA-N -1 0 365.433 -0.127 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739613506 602834469 /nfs/dbraw/zinc/83/44/69/602834469.db2.gz HRCAGDVZDSAPQF-GFCCVEGCSA-N -1 0 371.415 -0.068 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739613509 602834527 /nfs/dbraw/zinc/83/45/27/602834527.db2.gz HRCAGDVZDSAPQF-LBPRGKRZSA-N -1 0 371.415 -0.068 20 0 FBADRM CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NCC(=O)[O-])ccc1Cl ZINC000739614282 597047147 /nfs/dbraw/zinc/04/71/47/597047147.db2.gz FAGMFXIUZVWYNZ-UHFFFAOYSA-N -1 0 363.779 -0.270 20 0 FBADRM CN(C)S(=O)(=O)N(C)CCOC(=O)c1csc(CNC(=O)[O-])n1 ZINC000739614421 602728933 /nfs/dbraw/zinc/72/89/33/602728933.db2.gz HWZYFVICIZGRDW-UHFFFAOYSA-N -1 0 366.421 -0.194 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)CC1 ZINC000739614754 603166077 /nfs/dbraw/zinc/16/60/77/603166077.db2.gz IENGJLBNZMXRCG-NEPJUHHUSA-N -1 0 362.452 -0.237 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)CC1 ZINC000739614755 603165838 /nfs/dbraw/zinc/16/58/38/603165838.db2.gz IENGJLBNZMXRCG-NWDGAFQWSA-N -1 0 362.452 -0.237 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)CC1 ZINC000739614756 603165847 /nfs/dbraw/zinc/16/58/47/603165847.db2.gz IENGJLBNZMXRCG-RYUDHWBXSA-N -1 0 362.452 -0.237 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)CC1 ZINC000739614757 603165866 /nfs/dbraw/zinc/16/58/66/603165866.db2.gz IENGJLBNZMXRCG-VXGBXAGGSA-N -1 0 362.452 -0.237 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)COCCNC(=O)[O-] ZINC000739615017 602659117 /nfs/dbraw/zinc/65/91/17/602659117.db2.gz STTXISNSFIEOGK-UHFFFAOYSA-N -1 0 359.404 -0.163 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)N[C@H](CNC(=O)[O-])C2CC2)CC1 ZINC000739615072 603091706 /nfs/dbraw/zinc/09/17/06/603091706.db2.gz LOJHDFBIFJKWHN-LLVKDONJSA-N -1 0 363.440 -0.834 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)CC1 ZINC000739615073 603091526 /nfs/dbraw/zinc/09/15/26/603091526.db2.gz LOJHDFBIFJKWHN-NSHDSACASA-N -1 0 363.440 -0.834 20 0 FBADRM CN(C)Cc1nc(C(C)(C)NC(=O)CN2CCN(C(=O)[O-])CC2=O)no1 ZINC000739615293 603023197 /nfs/dbraw/zinc/02/31/97/603023197.db2.gz PRGCOQWMIWDJDA-UHFFFAOYSA-N -1 0 368.394 -0.695 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)[C@H](NC(=O)[O-])c2ccccc2)CC1 ZINC000739615296 602382145 /nfs/dbraw/zinc/38/21/45/602382145.db2.gz PTINAOIXNCVSHK-CYBMUJFWSA-N -1 0 370.431 -0.054 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H](NC(=O)[O-])c2ccccc2)CC1 ZINC000739615297 602382249 /nfs/dbraw/zinc/38/22/49/602382249.db2.gz PTINAOIXNCVSHK-ZDUSSCGKSA-N -1 0 370.431 -0.054 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)CCC(C)(C)NC(=O)[O-])CC1 ZINC000739615331 602789646 /nfs/dbraw/zinc/78/96/46/602789646.db2.gz RENZBNSROQLOOR-UHFFFAOYSA-N -1 0 350.441 -0.237 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)NCCN(C(=O)[O-])C2CC2)CC1 ZINC000739615349 602079111 /nfs/dbraw/zinc/07/91/11/602079111.db2.gz RZYUJAJHCMIBQP-UHFFFAOYSA-N -1 0 363.440 -0.738 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCN2C(=O)[O-])CC1 ZINC000739615511 602606461 /nfs/dbraw/zinc/60/64/61/602606461.db2.gz XLYHXRLUSMSQQK-LLVKDONJSA-N -1 0 363.440 -0.738 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000739615513 602606330 /nfs/dbraw/zinc/60/63/30/602606330.db2.gz XLYHXRLUSMSQQK-NSHDSACASA-N -1 0 363.440 -0.738 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)C2CCC(NC(=O)[O-])CC2)CC1 ZINC000739615582 602382316 /nfs/dbraw/zinc/38/23/16/602382316.db2.gz YFCFQZHERKTQIL-UHFFFAOYSA-N -1 0 362.452 -0.237 20 0 FBADRM CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCC(=O)[O-] ZINC000739615713 597045793 /nfs/dbraw/zinc/04/57/93/597045793.db2.gz COSJBDQCZOUVQP-UHFFFAOYSA-N -1 0 372.403 -0.858 20 0 FBADRM CN(C1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1)S(C)(=O)=O ZINC000739616097 601912895 /nfs/dbraw/zinc/91/28/95/601912895.db2.gz ALIZBOVQHRHYTH-SNVBAGLBSA-N -1 0 351.450 -0.078 20 0 FBADRM CN(C)c1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)[O-])CC2)cn1 ZINC000739616296 602211213 /nfs/dbraw/zinc/21/12/13/602211213.db2.gz KIJPQBSKWHRUKP-UHFFFAOYSA-N -1 0 364.406 -0.502 20 0 FBADRM CN(C1CCOCC1)S(=O)(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739616524 603083779 /nfs/dbraw/zinc/08/37/79/603083779.db2.gz GUSBLKADISOEAM-UHFFFAOYSA-N -1 0 350.441 -0.773 20 0 FBADRM CN(C1CC1)S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739616557 603260129 /nfs/dbraw/zinc/26/01/29/603260129.db2.gz HMRAZXXTYLZDLQ-GFCCVEGCSA-N -1 0 374.463 -0.140 20 0 FBADRM CN(C1CC1)S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739616559 603259982 /nfs/dbraw/zinc/25/99/82/603259982.db2.gz HMRAZXXTYLZDLQ-LBPRGKRZSA-N -1 0 374.463 -0.140 20 0 FBADRM CN(C1CCN(C(=O)[O-])CC1)S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000739617071 601983479 /nfs/dbraw/zinc/98/34/79/601983479.db2.gz LSWJUWMPDHAPEO-UHFFFAOYSA-N -1 0 354.450 -0.032 20 0 FBADRM CN(CC(=O)N(C)Cc1ccco1)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739617337 603236222 /nfs/dbraw/zinc/23/62/22/603236222.db2.gz PBORWPBBFGHNOQ-UHFFFAOYSA-N -1 0 352.391 -0.008 20 0 FBADRM CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1 ZINC000739617350 597043419 /nfs/dbraw/zinc/04/34/19/597043419.db2.gz PEZJAGZCXDFPLA-UHFFFAOYSA-N -1 0 355.372 -0.391 20 0 FBADRM CN(CC(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1)C(=O)[O-] ZINC000739617472 603055852 /nfs/dbraw/zinc/05/58/52/603055852.db2.gz SXDCCYNHUIWJKW-UHFFFAOYSA-N -1 0 370.450 -0.327 20 0 FBADRM CN(CC(=O)N1CC[C@H](NC(=O)[O-])C1)C1=NS(=O)(=O)c2ccccc21 ZINC000739617943 605136758 /nfs/dbraw/zinc/13/67/58/605136758.db2.gz ZLVUTIYCZYTNHW-JTQLQIEISA-N -1 0 366.399 -0.064 20 0 FBADRM CN(CC(=O)N1CC[C@@H](NC(=O)[O-])C1)C1=NS(=O)(=O)c2ccccc21 ZINC000739617945 604480268 /nfs/dbraw/zinc/48/02/68/604480268.db2.gz ZLVUTIYCZYTNHW-SNVBAGLBSA-N -1 0 366.399 -0.064 20 0 FBADRM CN(C1CCN(C(=O)[O-])CC1)S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000739618232 602863482 /nfs/dbraw/zinc/86/34/82/602863482.db2.gz XWXGLSHDCSSVIT-UHFFFAOYSA-N -1 0 355.438 -0.964 20 0 FBADRM CN(C)c1nc(N)nc(COC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)n1 ZINC000739619416 603277990 /nfs/dbraw/zinc/27/79/90/603277990.db2.gz PFNZKWIGPLSUTH-UHFFFAOYSA-N -1 0 367.410 -0.363 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)C1CCS(=O)(=O)CC1 ZINC000739619662 602732883 /nfs/dbraw/zinc/73/28/83/602732883.db2.gz BRJRTUSCPYJBET-UHFFFAOYSA-N -1 0 361.420 -0.908 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)C1(C(=O)NC2CC2)CCC1 ZINC000739619730 602461941 /nfs/dbraw/zinc/46/19/41/602461941.db2.gz DUOSZVLDSDXPGZ-UHFFFAOYSA-N -1 0 366.418 -0.284 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000739620064 603027320 /nfs/dbraw/zinc/02/73/20/603027320.db2.gz LPWZSKXSPMRTQV-YHWZYXNKSA-N -1 0 367.402 -0.491 20 0 FBADRM CN(CC(=O)N1CCCC1)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739620120 602441847 /nfs/dbraw/zinc/44/18/47/602441847.db2.gz OLHWXEVUJHOLGR-UHFFFAOYSA-N -1 0 355.395 -0.928 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000739620221 602549996 /nfs/dbraw/zinc/54/99/96/602549996.db2.gz BAOGTAMRKAWCFP-CYBMUJFWSA-N -1 0 364.406 -0.721 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000739620225 602550092 /nfs/dbraw/zinc/55/00/92/602550092.db2.gz BAOGTAMRKAWCFP-ZDUSSCGKSA-N -1 0 364.406 -0.721 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000739620382 602569339 /nfs/dbraw/zinc/56/93/39/602569339.db2.gz DWUGGSONHYZQDQ-UHFFFAOYSA-N -1 0 374.353 -0.536 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000739620436 602777830 /nfs/dbraw/zinc/77/78/30/602777830.db2.gz GQJYIWWXMZFVGM-UHFFFAOYSA-N -1 0 373.387 -0.423 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)CCCCN1CCOCC1 ZINC000739620569 602492980 /nfs/dbraw/zinc/49/29/80/602492980.db2.gz JRTLXDABLCNUSO-UHFFFAOYSA-N -1 0 370.450 -0.231 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)c1ccc(-n2ccnc2)nn1 ZINC000739620600 602025861 /nfs/dbraw/zinc/02/58/61/602025861.db2.gz KMMYBCWTXUMFRR-UHFFFAOYSA-N -1 0 373.373 -0.444 20 0 FBADRM CN(CC(=O)N1CCCC1)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739620724 603046299 /nfs/dbraw/zinc/04/62/99/603046299.db2.gz YZBRUPSZJHKCQC-UHFFFAOYSA-N -1 0 367.406 -0.438 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)CN1Cc2ccccc2C1=O ZINC000739620777 602674332 /nfs/dbraw/zinc/67/43/32/602674332.db2.gz LPJAIISWHSTGBD-UHFFFAOYSA-N -1 0 374.397 -0.077 20 0 FBADRM CN(CC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C(=O)[O-] ZINC000739620789 602325103 /nfs/dbraw/zinc/32/51/03/602325103.db2.gz MEZUQTVZFMNVNX-UHFFFAOYSA-N -1 0 366.399 -0.111 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)CNC(=O)c1ccccn1 ZINC000739620802 603027340 /nfs/dbraw/zinc/02/73/40/603027340.db2.gz MVKDYXHHHIYBHY-UHFFFAOYSA-N -1 0 363.374 -0.908 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)S(=O)(=O)C[C@H]1CCCCO1 ZINC000739620842 601983345 /nfs/dbraw/zinc/98/33/45/601983345.db2.gz PJMQJYPNCDLWMB-GFCCVEGCSA-N -1 0 363.436 -0.361 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)S(=O)(=O)C[C@@H]1CCCCO1 ZINC000739620843 601983270 /nfs/dbraw/zinc/98/32/70/601983270.db2.gz PJMQJYPNCDLWMB-LBPRGKRZSA-N -1 0 363.436 -0.361 20 0 FBADRM CN(CC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)C(=O)[O-] ZINC000739620857 602325115 /nfs/dbraw/zinc/32/51/15/602325115.db2.gz QAGFMYYGQFUQSO-UHFFFAOYSA-N -1 0 356.404 -0.408 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)c1ccc2c(c1)nnn2C ZINC000739621075 602462302 /nfs/dbraw/zinc/46/23/02/602462302.db2.gz UYCUQBWMEUMOOZ-UHFFFAOYSA-N -1 0 360.374 -0.138 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)S(=O)(=O)c1cncc(F)c1 ZINC000739621181 602312006 /nfs/dbraw/zinc/31/20/06/602312006.db2.gz WMBDIRVGGNYVDJ-UHFFFAOYSA-N -1 0 360.367 -0.337 20 0 FBADRM CN(CC(=O)NC(C)(C)C)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739622183 603045845 /nfs/dbraw/zinc/04/58/45/603045845.db2.gz WPYNDYPPMINQBA-UHFFFAOYSA-N -1 0 369.422 -0.145 20 0 FBADRM CN(CC(=O)N[C@H](CNC(=O)[O-])C1CC1)S(=O)(=O)c1cccnc1 ZINC000739622187 603052770 /nfs/dbraw/zinc/05/27/70/603052770.db2.gz WWIWKWJKYCSEFL-GFCCVEGCSA-N -1 0 356.404 -0.136 20 0 FBADRM CN(CC(=O)N[C@@H](CNC(=O)[O-])C1CC1)S(=O)(=O)c1cccnc1 ZINC000739622188 603052877 /nfs/dbraw/zinc/05/28/77/603052877.db2.gz WWIWKWJKYCSEFL-LBPRGKRZSA-N -1 0 356.404 -0.136 20 0 FBADRM O=C([O-])/C=C1\SCC(=O)N1CCCOC(=O)C1CC(=O)NC(=O)C1 ZINC000739622300 599945676 /nfs/dbraw/zinc/94/56/76/599945676.db2.gz AIEWXCNCMDQHRW-SDQBBNPISA-N -1 0 356.356 -0.526 20 0 FBADRM O=C([O-])/C=C1/SCC(=O)N1CCCOC(=O)C1CC(=O)NC(=O)C1 ZINC000739622301 599945677 /nfs/dbraw/zinc/94/56/77/599945677.db2.gz AIEWXCNCMDQHRW-WUXMJOGZSA-N -1 0 356.356 -0.526 20 0 FBADRM CN(CC(=O)N1CCOCC1)C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739622330 602618842 /nfs/dbraw/zinc/61/88/42/602618842.db2.gz YFOIQEQESJOOKH-UHFFFAOYSA-N -1 0 371.438 -0.828 20 0 FBADRM CN(CC(=O)NCCCNC(=O)[O-])C1=NS(=O)(=O)c2ccccc21 ZINC000739622609 602350259 /nfs/dbraw/zinc/35/02/59/602350259.db2.gz CBFUAVKFYZKNAG-UHFFFAOYSA-N -1 0 354.388 -0.159 20 0 FBADRM CN(CC(=O)NC[C@H]1CCCN1C(=O)[O-])S(=O)(=O)c1cccnc1 ZINC000739622795 602587852 /nfs/dbraw/zinc/58/78/52/602587852.db2.gz HSYGOVNQNSSLSS-LLVKDONJSA-N -1 0 356.404 -0.039 20 0 FBADRM CN(CC(=O)NC[C@@H]1CCCN1C(=O)[O-])S(=O)(=O)c1cccnc1 ZINC000739622797 602587837 /nfs/dbraw/zinc/58/78/37/602587837.db2.gz HSYGOVNQNSSLSS-NSHDSACASA-N -1 0 356.404 -0.039 20 0 FBADRM CN(CC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)C(=O)OC(C)(C)C ZINC000739623140 602326042 /nfs/dbraw/zinc/32/60/42/602326042.db2.gz BRXUYPRNHMPSJR-UHFFFAOYSA-N -1 0 358.395 -0.208 20 0 FBADRM CN(CC(=O)NCCN(C(=O)[O-])C1CC1)S(=O)(=O)c1cccnc1 ZINC000739623493 601984966 /nfs/dbraw/zinc/98/49/66/601984966.db2.gz OZWGRHLHWMWHFG-UHFFFAOYSA-N -1 0 356.404 -0.039 20 0 FBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C1(NC(=O)[O-])CCCC1 ZINC000739623686 602395339 /nfs/dbraw/zinc/39/53/39/602395339.db2.gz JALUOTQOLSXCEC-JTQLQIEISA-N -1 0 361.420 -0.672 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C1(NC(=O)[O-])CCCC1 ZINC000739623687 602395204 /nfs/dbraw/zinc/39/52/04/602395204.db2.gz JALUOTQOLSXCEC-SNVBAGLBSA-N -1 0 361.420 -0.672 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000739624054 603022784 /nfs/dbraw/zinc/02/27/84/603022784.db2.gz KOTFCKUHGINGQX-GMTAPVOTSA-N -1 0 361.420 -0.816 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739624055 603022876 /nfs/dbraw/zinc/02/28/76/603022876.db2.gz KOTFCKUHGINGQX-MXWKQRLJSA-N -1 0 361.420 -0.816 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCC[C@H]1NC(=O)[O-] ZINC000739624057 603022674 /nfs/dbraw/zinc/02/26/74/603022674.db2.gz KOTFCKUHGINGQX-OUAUKWLOSA-N -1 0 361.420 -0.816 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739624059 603022963 /nfs/dbraw/zinc/02/29/63/603022963.db2.gz KOTFCKUHGINGQX-VWYCJHECSA-N -1 0 361.420 -0.816 20 0 FBADRM CN(CC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)C(=O)[O-] ZINC000739624088 661793329 /nfs/dbraw/zinc/79/33/29/661793329.db2.gz KXLAGKKSTPLHDZ-UHFFFAOYSA-N -1 0 363.436 -0.314 20 0 FBADRM O=C([O-])/C=C1/SCC(=O)N1CCCN1CCO[C@@H](Cn2cncn2)C1 ZINC000739624158 599971323 /nfs/dbraw/zinc/97/13/23/599971323.db2.gz IGAKZSURACTWMK-CHJAJTDHSA-N -1 0 367.431 -0.130 20 0 FBADRM O=C([O-])/C=C1\SCC(=O)N1CCCN1CCO[C@H](Cn2cncn2)C1 ZINC000739624160 599971621 /nfs/dbraw/zinc/97/16/21/599971621.db2.gz IGAKZSURACTWMK-JVXNRYDGSA-N -1 0 367.431 -0.130 20 0 FBADRM O=C([O-])/C=C1\SCC(=O)N1CCCN1CCO[C@@H](Cn2cncn2)C1 ZINC000739624162 599971491 /nfs/dbraw/zinc/97/14/91/599971491.db2.gz IGAKZSURACTWMK-KXQKXUNCSA-N -1 0 367.431 -0.130 20 0 FBADRM O=C([O-])/C=C1/SCC(=O)N1CCCN1CCO[C@H](Cn2cncn2)C1 ZINC000739624165 599971397 /nfs/dbraw/zinc/97/13/97/599971397.db2.gz IGAKZSURACTWMK-VWBIBIBXSA-N -1 0 367.431 -0.130 20 0 FBADRM O=C([O-])/C=C1/SCC(=O)N1CCCOC(=O)Cn1ccc(=O)[nH]c1=O ZINC000739624484 599882824 /nfs/dbraw/zinc/88/28/24/599882824.db2.gz LAFMFGPMBAUDFN-IZZDOVSWSA-N -1 0 369.355 -0.616 20 0 FBADRM O=C([O-])/C=C1\SCC(=O)N1CCCOC(=O)Cn1ccc(=O)[nH]c1=O ZINC000739624485 599882809 /nfs/dbraw/zinc/88/28/09/599882809.db2.gz LAFMFGPMBAUDFN-WDZFZDKYSA-N -1 0 369.355 -0.616 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000739624517 602500037 /nfs/dbraw/zinc/50/00/37/602500037.db2.gz ORMQDVKHBOGRAJ-GHMZBOCLSA-N -1 0 361.420 -0.719 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000739624518 602500139 /nfs/dbraw/zinc/50/01/39/602500139.db2.gz ORMQDVKHBOGRAJ-MNOVXSKESA-N -1 0 361.420 -0.719 20 0 FBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000739624519 602500158 /nfs/dbraw/zinc/50/01/58/602500158.db2.gz ORMQDVKHBOGRAJ-QWRGUYRKSA-N -1 0 361.420 -0.719 20 0 FBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000739624520 602500167 /nfs/dbraw/zinc/50/01/67/602500167.db2.gz ORMQDVKHBOGRAJ-WDEREUQCSA-N -1 0 361.420 -0.719 20 0 FBADRM CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000739624634 602159266 /nfs/dbraw/zinc/15/92/66/602159266.db2.gz UDNXXCOIGCOFLN-UHFFFAOYSA-N -1 0 371.415 -0.067 20 0 FBADRM CN(CC(=O)NCc1ccccc1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739624704 603008786 /nfs/dbraw/zinc/00/87/86/603008786.db2.gz WLHAOFJMDOWXQP-UHFFFAOYSA-N -1 0 362.386 -0.417 20 0 FBADRM CN(CC(=O)NCc1ccco1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739624813 603013618 /nfs/dbraw/zinc/01/36/18/603013618.db2.gz ZAKIWNAFSJHUDA-UHFFFAOYSA-N -1 0 352.347 -0.824 20 0 FBADRM O=C([O-])/C=C1/SCC(=O)N1CCCOC(=O)CN1CCC(=O)NC1=O ZINC000739624868 600214656 /nfs/dbraw/zinc/21/46/56/600214656.db2.gz MIBVNZLFVWFLEB-IZZDOVSWSA-N -1 0 371.371 -0.637 20 0 FBADRM O=C([O-])/C=C1\SCC(=O)N1CCCOC(=O)CN1CCC(=O)NC1=O ZINC000739624869 600214638 /nfs/dbraw/zinc/21/46/38/600214638.db2.gz MIBVNZLFVWFLEB-WDZFZDKYSA-N -1 0 371.371 -0.637 20 0 FBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739625015 602822861 /nfs/dbraw/zinc/82/28/61/602822861.db2.gz SMYIWJGQVLSIQA-JTQLQIEISA-N -1 0 363.436 -0.426 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739625017 602823090 /nfs/dbraw/zinc/82/30/90/602823090.db2.gz SMYIWJGQVLSIQA-SNVBAGLBSA-N -1 0 363.436 -0.426 20 0 FBADRM CN(CC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000739625019 602325840 /nfs/dbraw/zinc/32/58/40/602325840.db2.gz SOZUKFRXKPOOBE-UHFFFAOYSA-N -1 0 358.395 -0.208 20 0 FBADRM CN(CC(=O)N[C@H]1CCN(C(=O)[O-])C1)C1=NS(=O)(=O)c2ccccc21 ZINC000739625128 602474919 /nfs/dbraw/zinc/47/49/19/602474919.db2.gz WQSRDVVOSHCPHS-JTQLQIEISA-N -1 0 366.399 -0.064 20 0 FBADRM CN(CC(=O)N[C@@H]1CCN(C(=O)[O-])C1)C1=NS(=O)(=O)c2ccccc21 ZINC000739625129 602475092 /nfs/dbraw/zinc/47/50/92/602475092.db2.gz WQSRDVVOSHCPHS-SNVBAGLBSA-N -1 0 366.399 -0.064 20 0 FBADRM CN(CC(=O)NC1CN(C(=O)[O-])C1)C1=NS(=O)(=O)c2ccccc21 ZINC000739625413 604946979 /nfs/dbraw/zinc/94/69/79/604946979.db2.gz YAUCOCXTUIPQLB-UHFFFAOYSA-N -1 0 352.372 -0.454 20 0 FBADRM CN(CC(=O)NCc1cccs1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739626317 603028365 /nfs/dbraw/zinc/02/83/65/603028365.db2.gz ZNRUUTCWZYILNY-UHFFFAOYSA-N -1 0 368.415 -0.355 20 0 FBADRM CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)[O-] ZINC000739627295 602162152 /nfs/dbraw/zinc/16/21/52/602162152.db2.gz NYHXETSXAXIVIS-UHFFFAOYSA-N -1 0 370.387 -0.645 20 0 FBADRM CN(CC(=O)Nc1ccc(N2CCN(C(=O)[O-])CC2)cn1)S(C)(=O)=O ZINC000739627477 602119323 /nfs/dbraw/zinc/11/93/23/602119323.db2.gz OTAUDUKECPASHV-UHFFFAOYSA-N -1 0 371.419 -0.289 20 0 FBADRM CN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)C(=O)[O-] ZINC000739628171 602165649 /nfs/dbraw/zinc/16/56/49/602165649.db2.gz TWSICRQDFQOQIU-UHFFFAOYSA-N -1 0 373.387 -0.039 20 0 FBADRM CN(CC(=O)OCC(=O)NCc1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000739630886 602205083 /nfs/dbraw/zinc/20/50/83/602205083.db2.gz LLZVNKXHAQVMTO-UHFFFAOYSA-N -1 0 358.372 -0.141 20 0 FBADRM CN(CC(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1)C(=O)[O-] ZINC000739630941 602209329 /nfs/dbraw/zinc/20/93/29/602209329.db2.gz MWVIMTQDQZBLIB-UHFFFAOYSA-N -1 0 353.331 -0.283 20 0 FBADRM CN(CC(=O)OCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C(=O)[O-] ZINC000739630986 602208274 /nfs/dbraw/zinc/20/82/74/602208274.db2.gz OACPLPDZLXLENM-UHFFFAOYSA-N -1 0 371.371 -0.624 20 0 FBADRM CN(CC(=O)[O-])CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000739631071 596908461 /nfs/dbraw/zinc/90/84/61/596908461.db2.gz DWSLBJBZTDCKEC-UHFFFAOYSA-N -1 0 371.415 -0.338 20 0 FBADRM CN(CC(=O)[O-])CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000739631081 596908417 /nfs/dbraw/zinc/90/84/17/596908417.db2.gz FRTJMLOMNYVUGT-UHFFFAOYSA-N -1 0 371.415 -0.338 20 0 FBADRM CN(CC(=O)[O-])CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000739631341 596907187 /nfs/dbraw/zinc/90/71/87/596907187.db2.gz BBDFKPKOYWWONV-UHFFFAOYSA-N -1 0 360.370 -0.623 20 0 FBADRM CN(CC(=O)[O-])CN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000739631491 597053400 /nfs/dbraw/zinc/05/34/00/597053400.db2.gz ILBLLCHHBGRVBU-HNNXBMFYSA-N -1 0 369.399 -0.169 20 0 FBADRM CN(CC(=O)[O-])CN1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000739631494 597053444 /nfs/dbraw/zinc/05/34/44/597053444.db2.gz ILBLLCHHBGRVBU-OAHLLOKOSA-N -1 0 369.399 -0.169 20 0 FBADRM CN(CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000739631678 596907570 /nfs/dbraw/zinc/90/75/70/596907570.db2.gz UOQKTHGYNAMFFF-UHFFFAOYSA-N -1 0 355.416 -0.464 20 0 FBADRM CN(CC(=O)OCc1nnnn1-c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000739632261 602205250 /nfs/dbraw/zinc/20/52/50/602205250.db2.gz DHLYFACOLHUCIM-UHFFFAOYSA-N -1 0 369.359 -0.281 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000739632857 600042699 /nfs/dbraw/zinc/04/26/99/600042699.db2.gz AOJJEUBYELGDJC-NEPJUHHUSA-N -1 0 363.370 -0.782 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000739632860 600042715 /nfs/dbraw/zinc/04/27/15/600042715.db2.gz AOJJEUBYELGDJC-NWDGAFQWSA-N -1 0 363.370 -0.782 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000739632862 600042785 /nfs/dbraw/zinc/04/27/85/600042785.db2.gz AOJJEUBYELGDJC-RYUDHWBXSA-N -1 0 363.370 -0.782 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000739632865 600042760 /nfs/dbraw/zinc/04/27/60/600042760.db2.gz AOJJEUBYELGDJC-VXGBXAGGSA-N -1 0 363.370 -0.782 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cccc(CN2CCOCC2)c1 ZINC000739633241 600248024 /nfs/dbraw/zinc/24/80/24/600248024.db2.gz DXRMXSJHRTZWOT-HNNXBMFYSA-N -1 0 361.398 -0.066 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cccc(CN2CCOCC2)c1 ZINC000739633242 600248110 /nfs/dbraw/zinc/24/81/10/600248110.db2.gz DXRMXSJHRTZWOT-OAHLLOKOSA-N -1 0 361.398 -0.066 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000739633286 600059253 /nfs/dbraw/zinc/05/92/53/600059253.db2.gz FNOGTWDUDKPCMZ-GWCFXTLKSA-N -1 0 363.345 -0.020 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000739633288 600059270 /nfs/dbraw/zinc/05/92/70/600059270.db2.gz FNOGTWDUDKPCMZ-GXFFZTMASA-N -1 0 363.345 -0.020 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000739633290 600059120 /nfs/dbraw/zinc/05/91/20/600059120.db2.gz FNOGTWDUDKPCMZ-MFKMUULPSA-N -1 0 363.345 -0.020 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000739633292 600059291 /nfs/dbraw/zinc/05/92/91/600059291.db2.gz FNOGTWDUDKPCMZ-ZWNOBZJWSA-N -1 0 363.345 -0.020 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC000739633417 599914219 /nfs/dbraw/zinc/91/42/19/599914219.db2.gz HLPLYGWOLVNJLR-MRVPVSSYSA-N -1 0 350.360 -0.728 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC000739633422 599914214 /nfs/dbraw/zinc/91/42/14/599914214.db2.gz HLPLYGWOLVNJLR-QMMMGPOBSA-N -1 0 350.360 -0.728 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1CC(=O)NC(=O)NCc1cccs1 ZINC000739633872 600602886 /nfs/dbraw/zinc/60/28/86/600602886.db2.gz IYKKCEUZVSSOGK-JTQLQIEISA-N -1 0 354.388 -0.651 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1CC(=O)NC(=O)NCc1cccs1 ZINC000739633877 600602875 /nfs/dbraw/zinc/60/28/75/600602875.db2.gz IYKKCEUZVSSOGK-SNVBAGLBSA-N -1 0 354.388 -0.651 20 0 FBADRM CN(CC(F)(F)F)C(=O)COC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739634343 603111173 /nfs/dbraw/zinc/11/11/73/603111173.db2.gz FNEVHLFWOCOVMD-UHFFFAOYSA-N -1 0 355.269 -0.628 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000739634375 600786027 /nfs/dbraw/zinc/78/60/27/600786027.db2.gz NBZLDOHWAJTFKC-CABCVRRESA-N -1 0 361.398 -0.311 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000739634378 600785901 /nfs/dbraw/zinc/78/59/01/600785901.db2.gz NBZLDOHWAJTFKC-GJZGRUSLSA-N -1 0 361.398 -0.311 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000739634381 600786017 /nfs/dbraw/zinc/78/60/17/600786017.db2.gz NBZLDOHWAJTFKC-HUUCEWRRSA-N -1 0 361.398 -0.311 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000739634385 600785995 /nfs/dbraw/zinc/78/59/95/600785995.db2.gz NBZLDOHWAJTFKC-LSDHHAIUSA-N -1 0 361.398 -0.311 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)CNC(=O)N1CCc2ccccc2C1 ZINC000739634415 600255842 /nfs/dbraw/zinc/25/58/42/600255842.db2.gz NFTUENFANUKKPZ-AWEZNQCLSA-N -1 0 374.397 -0.444 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)CNC(=O)N1CCc2ccccc2C1 ZINC000739634419 600255796 /nfs/dbraw/zinc/25/57/96/600255796.db2.gz NFTUENFANUKKPZ-CQSZACIVSA-N -1 0 374.397 -0.444 20 0 FBADRM CN(C[C@@H]1CCCN(C(=S)NCCNS(C)(=O)=O)C1)C(=O)[O-] ZINC000739634802 602322608 /nfs/dbraw/zinc/32/26/08/602322608.db2.gz BEWVDULPOQIQCZ-JTQLQIEISA-N -1 0 352.482 -0.268 20 0 FBADRM CN(C[C@H]1CCCN(C(=S)NCCNS(C)(=O)=O)C1)C(=O)[O-] ZINC000739634803 602322510 /nfs/dbraw/zinc/32/25/10/602322510.db2.gz BEWVDULPOQIQCZ-SNVBAGLBSA-N -1 0 352.482 -0.268 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000739635021 601054714 /nfs/dbraw/zinc/05/47/14/601054714.db2.gz QCIKLBUONSLFGH-MRVPVSSYSA-N -1 0 358.148 -0.035 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000739635023 601055001 /nfs/dbraw/zinc/05/50/01/601055001.db2.gz QCIKLBUONSLFGH-QMMMGPOBSA-N -1 0 358.148 -0.035 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000739635445 599732551 /nfs/dbraw/zinc/73/25/51/599732551.db2.gz QVCQJMWPRGAJBU-LLVKDONJSA-N -1 0 364.749 -0.269 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000739635446 599732544 /nfs/dbraw/zinc/73/25/44/599732544.db2.gz QVCQJMWPRGAJBU-NSHDSACASA-N -1 0 364.749 -0.269 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC000739635588 600491053 /nfs/dbraw/zinc/49/10/53/600491053.db2.gz VRHHMCAEXZIVLJ-GFCCVEGCSA-N -1 0 373.369 -0.516 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC000739635590 600491184 /nfs/dbraw/zinc/49/11/84/600491184.db2.gz VRHHMCAEXZIVLJ-LBPRGKRZSA-N -1 0 373.369 -0.516 20 0 FBADRM CN(CC1CC1)S(=O)(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739635612 602878490 /nfs/dbraw/zinc/87/84/90/602878490.db2.gz WQOXXKMDTXFISN-GFCCVEGCSA-N -1 0 362.452 -0.331 20 0 FBADRM CN(CC1CC1)S(=O)(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739635613 602878725 /nfs/dbraw/zinc/87/87/25/602878725.db2.gz WQOXXKMDTXFISN-LBPRGKRZSA-N -1 0 362.452 -0.331 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)C(=O)c1cnn(-c2ccccc2)c1 ZINC000739636017 600258664 /nfs/dbraw/zinc/25/86/64/600258664.db2.gz XXUYJLUEYBTBBI-CYBMUJFWSA-N -1 0 356.338 -0.143 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)C(=O)c1cnn(-c2ccccc2)c1 ZINC000739636020 600258531 /nfs/dbraw/zinc/25/85/31/600258531.db2.gz XXUYJLUEYBTBBI-ZDUSSCGKSA-N -1 0 356.338 -0.143 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000739636022 601056171 /nfs/dbraw/zinc/05/61/71/601056171.db2.gz XZIVYENSLPZLCO-KBPBESRZSA-N -1 0 374.397 -0.265 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000739636023 601056326 /nfs/dbraw/zinc/05/63/26/601056326.db2.gz XZIVYENSLPZLCO-KGLIPLIRSA-N -1 0 374.397 -0.265 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000739636024 601056311 /nfs/dbraw/zinc/05/63/11/601056311.db2.gz XZIVYENSLPZLCO-UONOGXRCSA-N -1 0 374.397 -0.265 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000739636025 601056142 /nfs/dbraw/zinc/05/61/42/601056142.db2.gz XZIVYENSLPZLCO-ZIAGYGMSSA-N -1 0 374.397 -0.265 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000739636064 600397895 /nfs/dbraw/zinc/39/78/95/600397895.db2.gz ZRBVQITYUWTNCG-GFCCVEGCSA-N -1 0 364.333 -0.229 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000739636065 600397967 /nfs/dbraw/zinc/39/79/67/600397967.db2.gz ZRBVQITYUWTNCG-LBPRGKRZSA-N -1 0 364.333 -0.229 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000739636070 600063276 /nfs/dbraw/zinc/06/32/76/600063276.db2.gz ZYRHXZAOXYSCRC-GFCCVEGCSA-N -1 0 374.328 -0.213 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000739636071 600063158 /nfs/dbraw/zinc/06/31/58/600063158.db2.gz ZYRHXZAOXYSCRC-LBPRGKRZSA-N -1 0 374.328 -0.213 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc2c1OCCO2 ZINC000739636546 599723717 /nfs/dbraw/zinc/72/37/17/599723717.db2.gz JACWZGBCPWLZNL-SECBINFHSA-N -1 0 356.356 -0.578 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc2c1OCCO2 ZINC000739636551 599723553 /nfs/dbraw/zinc/72/35/53/599723553.db2.gz JACWZGBCPWLZNL-VIFPVBQESA-N -1 0 356.356 -0.578 20 0 FBADRM O=C([O-])C[C@H]1CCCCN1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000739637146 599755803 /nfs/dbraw/zinc/75/58/03/599755803.db2.gz YXELWLDMQGOTJQ-GHMZBOCLSA-N -1 0 361.420 -0.672 20 0 FBADRM O=C([O-])C[C@@H]1CCCCN1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000739637147 599756041 /nfs/dbraw/zinc/75/60/41/599756041.db2.gz YXELWLDMQGOTJQ-MNOVXSKESA-N -1 0 361.420 -0.672 20 0 FBADRM O=C([O-])C[C@@H]1CCCCN1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000739637148 599756013 /nfs/dbraw/zinc/75/60/13/599756013.db2.gz YXELWLDMQGOTJQ-QWRGUYRKSA-N -1 0 361.420 -0.672 20 0 FBADRM O=C([O-])C[C@H]1CCCCN1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000739637149 599756000 /nfs/dbraw/zinc/75/60/00/599756000.db2.gz YXELWLDMQGOTJQ-WDEREUQCSA-N -1 0 361.420 -0.672 20 0 FBADRM CN(C[C@H]1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1)C(=O)[O-] ZINC000739640797 602480627 /nfs/dbraw/zinc/48/06/27/602480627.db2.gz JLQJLTNCNUSVFP-LLVKDONJSA-N -1 0 368.415 -0.058 20 0 FBADRM CN(C[C@@H]1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1)C(=O)[O-] ZINC000739640799 602480816 /nfs/dbraw/zinc/48/08/16/602480816.db2.gz JLQJLTNCNUSVFP-NSHDSACASA-N -1 0 368.415 -0.058 20 0 FBADRM CN(CC1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC1)C(=O)[O-] ZINC000739641492 602427477 /nfs/dbraw/zinc/42/74/77/602427477.db2.gz MXXFGXKROMLZLF-UHFFFAOYSA-N -1 0 366.378 -0.845 20 0 FBADRM CN(C[C@H]1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1)C(=O)[O-] ZINC000739642361 602481570 /nfs/dbraw/zinc/48/15/70/602481570.db2.gz VMKYWYREGHLOLK-LLVKDONJSA-N -1 0 368.415 -0.058 20 0 FBADRM CN(C[C@@H]1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1)C(=O)[O-] ZINC000739642362 602481549 /nfs/dbraw/zinc/48/15/49/602481549.db2.gz VMKYWYREGHLOLK-NSHDSACASA-N -1 0 368.415 -0.058 20 0 FBADRM CN(C[C@H]1CCCN(C(=O)NCCCN2C(=O)CNC2=O)C1)C(=O)[O-] ZINC000739642866 602657104 /nfs/dbraw/zinc/65/71/04/602657104.db2.gz OFFHSQZXAVJESI-LLVKDONJSA-N -1 0 355.395 -0.040 20 0 FBADRM CN(C[C@@H]1CCCN(C(=O)NCCCN2C(=O)CNC2=O)C1)C(=O)[O-] ZINC000739642868 602657080 /nfs/dbraw/zinc/65/70/80/602657080.db2.gz OFFHSQZXAVJESI-NSHDSACASA-N -1 0 355.395 -0.040 20 0 FBADRM CN(CC1CCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC1)C(=O)[O-] ZINC000739643940 602367656 /nfs/dbraw/zinc/36/76/56/602367656.db2.gz CQCVDWWKADXEGU-UHFFFAOYSA-N -1 0 373.435 -0.453 20 0 FBADRM CN(CC1CCN(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)CC1)C(=O)[O-] ZINC000739644074 602407198 /nfs/dbraw/zinc/40/71/98/602407198.db2.gz JSVJDCGXQCIILY-CYBMUJFWSA-N -1 0 361.464 -0.046 20 0 FBADRM CN(CC1CCN(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)CC1)C(=O)[O-] ZINC000739644078 602407264 /nfs/dbraw/zinc/40/72/64/602407264.db2.gz JSVJDCGXQCIILY-ZDUSSCGKSA-N -1 0 361.464 -0.046 20 0 FBADRM CN(CC1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1)C(=O)[O-] ZINC000739644110 602365613 /nfs/dbraw/zinc/36/56/13/602365613.db2.gz KCOIQPWKICJYEM-UHFFFAOYSA-N -1 0 373.435 -0.231 20 0 FBADRM CN(C[C@@H]1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)C1)C(=O)[O-] ZINC000739645670 602489755 /nfs/dbraw/zinc/48/97/55/602489755.db2.gz WOHAKJKGAKBSTJ-JTQLQIEISA-N -1 0 359.408 -0.621 20 0 FBADRM CN(C[C@H]1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)C1)C(=O)[O-] ZINC000739645673 602489658 /nfs/dbraw/zinc/48/96/58/602489658.db2.gz WOHAKJKGAKBSTJ-SNVBAGLBSA-N -1 0 359.408 -0.621 20 0 FBADRM CN(C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C1)C(=O)[O-] ZINC000739646157 602485879 /nfs/dbraw/zinc/48/58/79/602485879.db2.gz PHMIYMYVRBHMDG-JTQLQIEISA-N -1 0 359.408 -0.843 20 0 FBADRM CN(C[C@H]1CCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C1)C(=O)[O-] ZINC000739646159 602485898 /nfs/dbraw/zinc/48/58/98/602485898.db2.gz PHMIYMYVRBHMDG-SNVBAGLBSA-N -1 0 359.408 -0.843 20 0 FBADRM CN(C[C@H]1CCN(C(=O)NCCCN(C)S(C)(=O)=O)C1)C(=O)[O-] ZINC000739647148 602618012 /nfs/dbraw/zinc/61/80/12/602618012.db2.gz AUEJBQACKYFSSV-LLVKDONJSA-N -1 0 350.441 -0.091 20 0 FBADRM CN(C[C@@H]1CCN(C(=O)NCCCN(C)S(C)(=O)=O)C1)C(=O)[O-] ZINC000739647150 602617878 /nfs/dbraw/zinc/61/78/78/602617878.db2.gz AUEJBQACKYFSSV-NSHDSACASA-N -1 0 350.441 -0.091 20 0 FBADRM O=C([O-])C[C@H]1CSCCN1C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000739647997 600670449 /nfs/dbraw/zinc/67/04/49/600670449.db2.gz JKIGWLDPOVRODN-JTQLQIEISA-N -1 0 371.440 -0.097 20 0 FBADRM O=C([O-])C[C@@H]1CSCCN1C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000739647999 600670644 /nfs/dbraw/zinc/67/06/44/600670644.db2.gz JKIGWLDPOVRODN-SNVBAGLBSA-N -1 0 371.440 -0.097 20 0 FBADRM CN(CC1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC1)C(=O)[O-] ZINC000739648357 602368502 /nfs/dbraw/zinc/36/85/02/602368502.db2.gz FXSHQGAXUWXXFV-UHFFFAOYSA-N -1 0 362.390 -0.022 20 0 FBADRM CN(CC1CCN(C(=O)NCCCN2C(=O)CNC2=O)CC1)C(=O)[O-] ZINC000739649643 602657075 /nfs/dbraw/zinc/65/70/75/602657075.db2.gz KVDBRORKEQWOLX-UHFFFAOYSA-N -1 0 355.395 -0.040 20 0 FBADRM CN(CC1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1)C(=O)[O-] ZINC000739649655 602407496 /nfs/dbraw/zinc/40/74/96/602407496.db2.gz KIGUUQMYQKNSKL-UHFFFAOYSA-N -1 0 359.408 -0.621 20 0 FBADRM CN(CC1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1)C(=O)[O-] ZINC000739650394 602367851 /nfs/dbraw/zinc/36/78/51/602367851.db2.gz ILOFEUBOYPTYHM-UHFFFAOYSA-N -1 0 362.452 -0.250 20 0 FBADRM CN(CC1CCN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)CC1)C(=O)[O-] ZINC000739650424 602369704 /nfs/dbraw/zinc/36/97/04/602369704.db2.gz IUQARGYPIKOBEN-PLNGDYQASA-N -1 0 364.402 -0.054 20 0 FBADRM CN(CC1CCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC1)C(=O)[O-] ZINC000739650426 602369748 /nfs/dbraw/zinc/36/97/48/602369748.db2.gz IUQARGYPIKOBEN-SNAWJCMRSA-N -1 0 364.402 -0.054 20 0 FBADRM CN(C[C@@H]1CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)C1)C(=O)[O-] ZINC000739650962 602756755 /nfs/dbraw/zinc/75/67/55/602756755.db2.gz OJSLSOBPUFJQLB-JTQLQIEISA-N -1 0 350.441 -0.045 20 0 FBADRM CN(C[C@H]1CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)C1)C(=O)[O-] ZINC000739650965 602756697 /nfs/dbraw/zinc/75/66/97/602756697.db2.gz OJSLSOBPUFJQLB-SNVBAGLBSA-N -1 0 350.441 -0.045 20 0 FBADRM CN(C[C@H]1CCN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)C1)C(=O)[O-] ZINC000739655003 602482517 /nfs/dbraw/zinc/48/25/17/602482517.db2.gz XWKJZBTVTCZBKD-DOGVGXBMSA-N -1 0 350.375 -0.445 20 0 FBADRM CN(C[C@H]1CCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C1)C(=O)[O-] ZINC000739655005 602482628 /nfs/dbraw/zinc/48/26/28/602482628.db2.gz XWKJZBTVTCZBKD-SGUJLRQBSA-N -1 0 350.375 -0.445 20 0 FBADRM CN(C[C@@H]1CCN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)C1)C(=O)[O-] ZINC000739655007 602482731 /nfs/dbraw/zinc/48/27/31/602482731.db2.gz XWKJZBTVTCZBKD-WYGGZMRJSA-N -1 0 350.375 -0.445 20 0 FBADRM CN(C[C@@H]1CCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C1)C(=O)[O-] ZINC000739655008 602482556 /nfs/dbraw/zinc/48/25/56/602482556.db2.gz XWKJZBTVTCZBKD-ZWNMCFTASA-N -1 0 350.375 -0.445 20 0 FBADRM CN(CC1CCN(C(=S)NCCNS(C)(=O)=O)CC1)C(=O)[O-] ZINC000739659415 661793325 /nfs/dbraw/zinc/79/33/25/661793325.db2.gz JYDPLRHFSJSEPW-UHFFFAOYSA-N -1 0 352.482 -0.268 20 0 FBADRM CN(C[C@H]1CCN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1)C(=O)[O-] ZINC000739660198 602534262 /nfs/dbraw/zinc/53/42/62/602534262.db2.gz ICEYCYCZXQHZJU-SECBINFHSA-N -1 0 365.390 -0.020 20 0 FBADRM CN(C[C@@H]1CCN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1)C(=O)[O-] ZINC000739660199 602534352 /nfs/dbraw/zinc/53/43/52/602534352.db2.gz ICEYCYCZXQHZJU-VIFPVBQESA-N -1 0 365.390 -0.020 20 0 FBADRM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739662731 602936463 /nfs/dbraw/zinc/93/64/63/602936463.db2.gz CPZVJAHJRQIRFQ-GFCCVEGCSA-N -1 0 362.452 -0.642 20 0 FBADRM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739662732 602936358 /nfs/dbraw/zinc/93/63/58/602936358.db2.gz CPZVJAHJRQIRFQ-LBPRGKRZSA-N -1 0 362.452 -0.642 20 0 FBADRM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739662959 603259526 /nfs/dbraw/zinc/25/95/26/603259526.db2.gz GITRGUOECODRGN-GFCCVEGCSA-N -1 0 361.464 -0.046 20 0 FBADRM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739662962 603259350 /nfs/dbraw/zinc/25/93/50/603259350.db2.gz GITRGUOECODRGN-LBPRGKRZSA-N -1 0 361.464 -0.046 20 0 FBADRM CN(C[C@@H]1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1)C(=O)[O-] ZINC000739663711 602548343 /nfs/dbraw/zinc/54/83/43/602548343.db2.gz IDKOKXHTPHYOQY-JTQLQIEISA-N -1 0 354.450 -0.175 20 0 FBADRM CN(C[C@H]1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1)C(=O)[O-] ZINC000739663713 602548330 /nfs/dbraw/zinc/54/83/30/602548330.db2.gz IDKOKXHTPHYOQY-SNVBAGLBSA-N -1 0 354.450 -0.175 20 0 FBADRM CN(CC1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1)C(=O)[O-] ZINC000739664367 602390834 /nfs/dbraw/zinc/39/08/34/602390834.db2.gz QEGUDFPVWRBHSM-UHFFFAOYSA-N -1 0 374.419 -0.906 20 0 FBADRM CN(CC1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1)C(=O)[O-] ZINC000739664546 602382880 /nfs/dbraw/zinc/38/28/80/602382880.db2.gz HCUZWJJCMFCEJR-UHFFFAOYSA-N -1 0 364.406 -0.218 20 0 FBADRM CN(C[C@H]1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1)C(=O)[O-] ZINC000739666321 602536199 /nfs/dbraw/zinc/53/61/99/602536199.db2.gz QLIFSMHWHXRWBV-SECBINFHSA-N -1 0 350.379 -0.608 20 0 FBADRM CN(C[C@@H]1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1)C(=O)[O-] ZINC000739666329 602536231 /nfs/dbraw/zinc/53/62/31/602536231.db2.gz QLIFSMHWHXRWBV-VIFPVBQESA-N -1 0 350.379 -0.608 20 0 FBADRM O=C([O-])CCCCNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000739667379 600163950 /nfs/dbraw/zinc/16/39/50/600163950.db2.gz FMHNXHQISQFBLK-UHFFFAOYSA-N -1 0 356.423 -0.573 20 0 FBADRM O=C([O-])CCCCNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000739667804 599832690 /nfs/dbraw/zinc/83/26/90/599832690.db2.gz ZDLBNIUGBPQCOY-UHFFFAOYSA-N -1 0 368.390 -0.756 20 0 FBADRM CN(CCCNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F)C(=O)[O-] ZINC000739668678 603429954 /nfs/dbraw/zinc/42/99/54/603429954.db2.gz CGORGVKJZXVNTP-UHFFFAOYSA-N -1 0 365.325 -0.144 20 0 FBADRM CN(CCCNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])S(C)(=O)=O ZINC000739669463 602845247 /nfs/dbraw/zinc/84/52/47/602845247.db2.gz BXPGVCKEWMLTOL-LLVKDONJSA-N -1 0 351.425 -0.457 20 0 FBADRM CN(CCCNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])S(C)(=O)=O ZINC000739669464 602845214 /nfs/dbraw/zinc/84/52/14/602845214.db2.gz BXPGVCKEWMLTOL-NSHDSACASA-N -1 0 351.425 -0.457 20 0 FBADRM CN(CCCNC(=O)N1CCC[C@H](CNC(=O)[O-])C1)S(C)(=O)=O ZINC000739669607 602096238 /nfs/dbraw/zinc/09/62/38/602096238.db2.gz FJCUVSKCDLSUDD-LLVKDONJSA-N -1 0 350.441 -0.043 20 0 FBADRM CN(CCCNC(=O)N1CCC[C@@H](CNC(=O)[O-])C1)S(C)(=O)=O ZINC000739669608 602096256 /nfs/dbraw/zinc/09/62/56/602096256.db2.gz FJCUVSKCDLSUDD-NSHDSACASA-N -1 0 350.441 -0.043 20 0 FBADRM CN(CCCNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000739669674 603430237 /nfs/dbraw/zinc/43/02/37/603430237.db2.gz DWNNVQZUILZGGT-UHFFFAOYSA-N -1 0 358.376 -0.460 20 0 FBADRM CN(CCCNC(=O)NC1CCN(CCS(C)(=O)=O)CC1)C(=O)[O-] ZINC000739669772 602754945 /nfs/dbraw/zinc/75/49/45/602754945.db2.gz IAOJKYVJHUVUEB-UHFFFAOYSA-N -1 0 364.468 -0.206 20 0 FBADRM CN(CCCNC(=O)N1CCN(c2ccc3nncn3n2)CC1)C(=O)[O-] ZINC000739669795 603368698 /nfs/dbraw/zinc/36/86/98/603368698.db2.gz JLIJLACJOBWQEN-UHFFFAOYSA-N -1 0 362.394 -0.044 20 0 FBADRM CN(CCCNC(=O)C(=O)Nc1cccnc1N1CCOCC1)C(=O)[O-] ZINC000739670251 603430243 /nfs/dbraw/zinc/43/02/43/603430243.db2.gz NXGRRUJAACYADE-UHFFFAOYSA-N -1 0 365.390 -0.027 20 0 FBADRM CN(CCCNC(=O)COC(=O)[C@@H]1CCCN1C(=O)[O-])S(C)(=O)=O ZINC000739670395 602936055 /nfs/dbraw/zinc/93/60/55/602936055.db2.gz PIVGSBXHNXYFOI-JTQLQIEISA-N -1 0 365.408 -0.930 20 0 FBADRM CN(CCCNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)C(=O)[O-] ZINC000739670480 603427551 /nfs/dbraw/zinc/42/75/51/603427551.db2.gz QFWQGDXEWCQZGU-UHFFFAOYSA-N -1 0 363.374 -0.068 20 0 FBADRM CN(CCCNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000739670532 602493073 /nfs/dbraw/zinc/49/30/73/602493073.db2.gz RJCHHILBHPORFE-AWEZNQCLSA-N -1 0 370.450 -0.184 20 0 FBADRM CN(CCCNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000739670534 602492876 /nfs/dbraw/zinc/49/28/76/602492876.db2.gz RJCHHILBHPORFE-CQSZACIVSA-N -1 0 370.450 -0.184 20 0 FBADRM CN(CCCNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000739670712 603430301 /nfs/dbraw/zinc/43/03/01/603430301.db2.gz RPASXKLDRTUPTQ-UHFFFAOYSA-N -1 0 358.376 -0.611 20 0 FBADRM CN(CCCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000739670730 603430383 /nfs/dbraw/zinc/43/03/83/603430383.db2.gz SFFZAQGVZIMKFB-UHFFFAOYSA-N -1 0 362.342 -0.033 20 0 FBADRM CN(CCCNC(=O)CN1CCN(C(=O)[O-])CC1=O)CC(F)(F)F ZINC000739670854 602993417 /nfs/dbraw/zinc/99/34/17/602993417.db2.gz URJQTBXNIDVLDX-UHFFFAOYSA-N -1 0 354.329 -0.191 20 0 FBADRM CN(CCCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1)S(C)(=O)=O ZINC000739671219 602087066 /nfs/dbraw/zinc/08/70/66/602087066.db2.gz WIPYIOUBJCCVOA-UHFFFAOYSA-N -1 0 373.391 -0.492 20 0 FBADRM CN(CCCNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C(=O)[O-] ZINC000739671589 602673781 /nfs/dbraw/zinc/67/37/81/602673781.db2.gz ZCMFLKPQQQUQLH-UHFFFAOYSA-N -1 0 371.438 -0.828 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000739671879 603238573 /nfs/dbraw/zinc/23/85/73/603238573.db2.gz FEFLVBWTSJJDQX-UHFFFAOYSA-N -1 0 355.372 -0.053 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000739671942 603185945 /nfs/dbraw/zinc/18/59/45/603185945.db2.gz GLZVCQQFOLCWIE-AWEZNQCLSA-N -1 0 370.450 -0.184 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000739671943 603185660 /nfs/dbraw/zinc/18/56/60/603185660.db2.gz GLZVCQQFOLCWIE-CQSZACIVSA-N -1 0 370.450 -0.184 20 0 FBADRM CN(CCCNC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1)S(C)(=O)=O ZINC000739672706 602701039 /nfs/dbraw/zinc/70/10/39/602701039.db2.gz AVFAEKPBGBOMPD-LLVKDONJSA-N -1 0 350.441 -0.043 20 0 FBADRM CN(CCCNC(=O)NCC[C@H]1CCN(C(=O)[O-])C1)S(C)(=O)=O ZINC000739672709 602700991 /nfs/dbraw/zinc/70/09/91/602700991.db2.gz AVFAEKPBGBOMPD-NSHDSACASA-N -1 0 350.441 -0.043 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000739672845 603426529 /nfs/dbraw/zinc/42/65/29/603426529.db2.gz DRYRYUSYCLAHEB-UHFFFAOYSA-N -1 0 365.325 -0.144 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000739672863 603236784 /nfs/dbraw/zinc/23/67/84/603236784.db2.gz TVTLUDDGAWZZNB-UHFFFAOYSA-N -1 0 352.351 -0.589 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000739673161 603425661 /nfs/dbraw/zinc/42/56/61/603425661.db2.gz BDTIMJLNPILAOS-UHFFFAOYSA-N -1 0 358.376 -0.611 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000739673340 603183705 /nfs/dbraw/zinc/18/37/05/603183705.db2.gz DGHHCSFGWYRMFA-UHFFFAOYSA-N -1 0 362.394 -0.148 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000739673505 603426533 /nfs/dbraw/zinc/42/65/33/603426533.db2.gz NVAMZSCOTHXLIL-UHFFFAOYSA-N -1 0 362.342 -0.033 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000739673554 603310461 /nfs/dbraw/zinc/31/04/61/603310461.db2.gz PFSZLNFKOSWCQK-UHFFFAOYSA-N -1 0 358.376 -0.611 20 0 FBADRM CN(CCCNC(=O)NCCS(=O)(=O)N1CCSCC1)C(=O)[O-] ZINC000739673631 602562679 /nfs/dbraw/zinc/56/26/79/602562679.db2.gz QGLYKCIJRLCUIM-UHFFFAOYSA-N -1 0 368.481 -0.336 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000739673889 603427118 /nfs/dbraw/zinc/42/71/18/603427118.db2.gz SMAYDGCHRIZTOJ-UHFFFAOYSA-N -1 0 358.376 -0.460 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000739673982 603424335 /nfs/dbraw/zinc/42/43/35/603424335.db2.gz KZTYGQWWFXEIAX-UHFFFAOYSA-N -1 0 363.374 -0.068 20 0 FBADRM CN(CCCNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C(=O)[O-] ZINC000739673987 603348360 /nfs/dbraw/zinc/34/83/60/603348360.db2.gz XGDMEQHOHMPWOM-UHFFFAOYSA-N -1 0 368.394 -0.137 20 0 FBADRM CN(CCCNC(=O)NC[C@H]1CCCN(C(=O)[O-])C1)S(C)(=O)=O ZINC000739674096 602015569 /nfs/dbraw/zinc/01/55/69/602015569.db2.gz ZRPXGCNPHFRYPN-LLVKDONJSA-N -1 0 350.441 -0.043 20 0 FBADRM CN(CCCNC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1)S(C)(=O)=O ZINC000739674100 602015198 /nfs/dbraw/zinc/01/51/98/602015198.db2.gz ZRPXGCNPHFRYPN-NSHDSACASA-N -1 0 350.441 -0.043 20 0 FBADRM CN(CCCNC(=O)NCC1CCN(C(=O)[O-])CC1)S(C)(=O)=O ZINC000739674103 602015298 /nfs/dbraw/zinc/01/52/98/602015298.db2.gz ZULZASNEXXTKKS-UHFFFAOYSA-N -1 0 350.441 -0.043 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000739674194 603239355 /nfs/dbraw/zinc/23/93/55/603239355.db2.gz NOMQTRPYLYGLRO-CYBMUJFWSA-N -1 0 356.423 -0.717 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000739674196 603239697 /nfs/dbraw/zinc/23/96/97/603239697.db2.gz NOMQTRPYLYGLRO-ZDUSSCGKSA-N -1 0 356.423 -0.717 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)C(=O)Nc1cccnc1N1CCOCC1 ZINC000739674633 603425667 /nfs/dbraw/zinc/42/56/67/603425667.db2.gz PPWJZZCLZNWJSM-UHFFFAOYSA-N -1 0 365.390 -0.027 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000739674658 661793271 /nfs/dbraw/zinc/79/32/71/661793271.db2.gz PWGSXZOAMJKBEW-JTQLQIEISA-N -1 0 374.419 -0.732 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000739674660 661793278 /nfs/dbraw/zinc/79/32/78/661793278.db2.gz PWGSXZOAMJKBEW-SNVBAGLBSA-N -1 0 374.419 -0.732 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000739675341 603284305 /nfs/dbraw/zinc/28/43/05/603284305.db2.gz KFGHWWILSGZALL-UHFFFAOYSA-N -1 0 368.481 -0.336 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000739675704 603236821 /nfs/dbraw/zinc/23/68/21/603236821.db2.gz WGUZGRCXMMDCHG-UHFFFAOYSA-N -1 0 351.363 -0.695 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000739676105 603240091 /nfs/dbraw/zinc/24/00/91/603240091.db2.gz ZVQNKXOTWRIAJL-GHMZBOCLSA-N -1 0 361.420 -0.862 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000739676107 603240281 /nfs/dbraw/zinc/24/02/81/603240281.db2.gz ZVQNKXOTWRIAJL-MNOVXSKESA-N -1 0 361.420 -0.862 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000739676109 603239951 /nfs/dbraw/zinc/23/99/51/603239951.db2.gz ZVQNKXOTWRIAJL-QWRGUYRKSA-N -1 0 361.420 -0.862 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000739676113 603240169 /nfs/dbraw/zinc/24/01/69/603240169.db2.gz ZVQNKXOTWRIAJL-WDEREUQCSA-N -1 0 361.420 -0.862 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000739676283 603315821 /nfs/dbraw/zinc/31/58/21/603315821.db2.gz FJVYZLBKYDZSHY-UHFFFAOYSA-N -1 0 364.362 -0.246 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000739677418 603348478 /nfs/dbraw/zinc/34/84/78/603348478.db2.gz MRRVDUSGKOFKKO-UHFFFAOYSA-N -1 0 368.394 -0.137 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000739677961 603283069 /nfs/dbraw/zinc/28/30/69/603283069.db2.gz LHDHRFDSQWYSEA-UHFFFAOYSA-N -1 0 350.441 -0.043 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000739678394 603238154 /nfs/dbraw/zinc/23/81/54/603238154.db2.gz QKKDWCASUYFTCE-UHFFFAOYSA-N -1 0 363.168 -0.173 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000739678484 603285413 /nfs/dbraw/zinc/28/54/13/603285413.db2.gz SEKLUUIHVOHQBS-UHFFFAOYSA-N -1 0 364.468 -0.206 20 0 FBADRM CN(CCCNC(=O)[O-])S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000739678510 603262607 /nfs/dbraw/zinc/26/26/07/603262607.db2.gz GCAMRTIXTXTAOT-UHFFFAOYSA-N -1 0 351.406 -0.388 20 0 FBADRM CN(CCCNC(=O)[O-])S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000739678919 603262621 /nfs/dbraw/zinc/26/26/21/603262621.db2.gz LSQUBNAANUUWSB-UHFFFAOYSA-N -1 0 371.375 -0.688 20 0 FBADRM CN(CCCNC(=O)[O-])S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000739679373 603262560 /nfs/dbraw/zinc/26/25/60/603262560.db2.gz UFEARGLHJIXNBO-UHFFFAOYSA-N -1 0 351.406 -0.388 20 0 FBADRM CN(CCCNC(=O)c1csc(CNC(=O)[O-])n1)S(C)(=O)=O ZINC000739679469 602707494 /nfs/dbraw/zinc/70/74/94/602707494.db2.gz BAMOJGNQGWQRSW-UHFFFAOYSA-N -1 0 350.422 -0.078 20 0 FBADRM CN(CCCNC(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000739679594 603261457 /nfs/dbraw/zinc/26/14/57/603261457.db2.gz WLOJQADUCNLNRF-UHFFFAOYSA-N -1 0 356.360 -0.505 20 0 FBADRM CN(CCCNC(=O)[O-])c1ccc(S(N)(=O)=O)cc1S(C)(=O)=O ZINC000739679651 603245583 /nfs/dbraw/zinc/24/55/83/603245583.db2.gz ZKHPQZXKGPKTIK-UHFFFAOYSA-N -1 0 365.433 -0.169 20 0 FBADRM O=C([O-])CCCNC(=S)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000739680305 600279847 /nfs/dbraw/zinc/27/98/47/600279847.db2.gz AHLALQWHZQKYHO-UHFFFAOYSA-N -1 0 355.420 -0.107 20 0 FBADRM O=C([O-])CCCNC(=S)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000739680806 600820985 /nfs/dbraw/zinc/82/09/85/600820985.db2.gz HBAVGWTVWUXMMK-UHFFFAOYSA-N -1 0 355.420 -0.107 20 0 FBADRM O=C([O-])CCCNC(=S)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000739680818 600188580 /nfs/dbraw/zinc/18/85/80/600188580.db2.gz HJAYFZAQPLJSLP-LLVKDONJSA-N -1 0 367.493 -0.196 20 0 FBADRM O=C([O-])CCCNC(=S)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000739680821 600188598 /nfs/dbraw/zinc/18/85/98/600188598.db2.gz HJAYFZAQPLJSLP-NSHDSACASA-N -1 0 367.493 -0.196 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)C(C)(C)NS(C)(=O)=O ZINC000739680867 602890632 /nfs/dbraw/zinc/89/06/32/602890632.db2.gz ASXCYKMGWGRCBO-UHFFFAOYSA-N -1 0 350.441 -0.932 20 0 FBADRM O=C([O-])CCCNC(=S)NCCS(=O)(=O)N1CCSCC1 ZINC000739681376 600139628 /nfs/dbraw/zinc/13/96/28/600139628.db2.gz LHNIBHZXHAUGDO-UHFFFAOYSA-N -1 0 355.507 -0.306 20 0 FBADRM CN(CCCNC(=O)[O-])CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000739681689 603256756 /nfs/dbraw/zinc/25/67/56/603256756.db2.gz ICMPISCJCXFABV-UHFFFAOYSA-N -1 0 370.431 -0.187 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000739682530 602493899 /nfs/dbraw/zinc/49/38/99/602493899.db2.gz PHTGMGUSZUBFAP-GFCCVEGCSA-N -1 0 362.452 -0.836 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000739682532 602493950 /nfs/dbraw/zinc/49/39/50/602493950.db2.gz PHTGMGUSZUBFAP-LBPRGKRZSA-N -1 0 362.452 -0.836 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)[C@@]12CCC(=O)N1CCS2 ZINC000739682539 602493881 /nfs/dbraw/zinc/49/38/81/602493881.db2.gz PMKASKGFGWJWMO-HNNXBMFYSA-N -1 0 356.448 -0.194 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)[C@]12CCC(=O)N1CCS2 ZINC000739682542 602493885 /nfs/dbraw/zinc/49/38/85/602493885.db2.gz PMKASKGFGWJWMO-OAHLLOKOSA-N -1 0 356.448 -0.194 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000739682629 603043619 /nfs/dbraw/zinc/04/36/19/603043619.db2.gz RNEKDTDQNLXALS-AGUYFDCRSA-N -1 0 353.419 -0.018 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCCN1CCSCC1 ZINC000739682668 602726703 /nfs/dbraw/zinc/72/67/03/602726703.db2.gz BVIQMYOZAWANTI-UHFFFAOYSA-N -1 0 359.496 -0.028 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCc1nnc2n1CCC2 ZINC000739682674 602608984 /nfs/dbraw/zinc/60/89/84/602608984.db2.gz CBULJHPECOBQJI-UHFFFAOYSA-N -1 0 351.411 -0.339 20 0 FBADRM CN(C)S(=O)(=O)CCCN(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739683683 602526948 /nfs/dbraw/zinc/52/69/48/602526948.db2.gz CKOWJKXBRAXQJH-UHFFFAOYSA-N -1 0 350.441 -0.978 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCCC(=O)N1CCOCC1 ZINC000739683746 602614182 /nfs/dbraw/zinc/61/41/82/602614182.db2.gz JLQKETVUENNJNI-UHFFFAOYSA-N -1 0 371.438 -0.828 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000739683799 602614427 /nfs/dbraw/zinc/61/44/27/602614427.db2.gz LAEQCKUZARAOKM-GFCCVEGCSA-N -1 0 362.452 -0.642 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000739683801 602614562 /nfs/dbraw/zinc/61/45/62/602614562.db2.gz LAEQCKUZARAOKM-LBPRGKRZSA-N -1 0 362.452 -0.642 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCCNC(=O)c1ccco1 ZINC000739683805 602614166 /nfs/dbraw/zinc/61/41/66/602614166.db2.gz LBVJMRLEADGIFI-UHFFFAOYSA-N -1 0 367.406 -0.054 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCC(=O)N1CCCCC1 ZINC000739683834 602616585 /nfs/dbraw/zinc/61/65/85/602616585.db2.gz LOZDOIVJFAUAEM-UHFFFAOYSA-N -1 0 355.439 -0.064 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCCCN1CCOCC1 ZINC000739683873 602609580 /nfs/dbraw/zinc/60/95/80/602609580.db2.gz MHMKCJHTNWDCBG-UHFFFAOYSA-N -1 0 357.455 -0.354 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)CCCN1C(=O)CN(C)C1=O ZINC000739683903 602492769 /nfs/dbraw/zinc/49/27/69/602492769.db2.gz AFBADEYTHPKIMI-UHFFFAOYSA-N -1 0 369.422 -0.585 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)CC(=O)NC(=O)NC1CCCC1 ZINC000739683975 602875636 /nfs/dbraw/zinc/87/56/36/602875636.db2.gz JIPKGLALLJYMBN-UHFFFAOYSA-N -1 0 355.439 -0.018 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)CS(=O)(=O)NC(C)(C)C ZINC000739683988 602496349 /nfs/dbraw/zinc/49/63/49/602496349.db2.gz CMBZBMVAJRILGL-UHFFFAOYSA-N -1 0 364.468 -0.542 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCCCN1C(=O)CCC1=O ZINC000739684404 602680578 /nfs/dbraw/zinc/68/05/78/602680578.db2.gz QPEXAWBEBIHQSF-UHFFFAOYSA-N -1 0 369.422 -0.538 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)CC(=O)NCC(=O)NC(C)(C)C ZINC000739684409 602873172 /nfs/dbraw/zinc/87/31/72/602873172.db2.gz MTVHJVPFNMAJGC-UHFFFAOYSA-N -1 0 357.455 -0.755 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000739684412 602873479 /nfs/dbraw/zinc/87/34/79/602873479.db2.gz MVPDLOUJVDFILP-AWEZNQCLSA-N -1 0 350.423 -0.247 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000739684415 602873420 /nfs/dbraw/zinc/87/34/20/602873420.db2.gz MVPDLOUJVDFILP-CQSZACIVSA-N -1 0 350.423 -0.247 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)CCCN1C(=O)CCC1=O ZINC000739684485 602496287 /nfs/dbraw/zinc/49/62/87/602496287.db2.gz HJPWNFRYTWSBFA-UHFFFAOYSA-N -1 0 354.407 -0.330 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)COc1ccc(C(N)=O)cc1 ZINC000739684488 602497797 /nfs/dbraw/zinc/49/77/97/602497797.db2.gz HLGOIMYPGIEUIB-UHFFFAOYSA-N -1 0 364.402 -0.082 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)CNC(=O)c1ccc(O)cc1 ZINC000739684555 602575706 /nfs/dbraw/zinc/57/57/06/602575706.db2.gz IQROGVLPFSZZCS-UHFFFAOYSA-N -1 0 364.402 -0.124 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)Cn1cnc2c1ncnc2N ZINC000739684566 602458505 /nfs/dbraw/zinc/45/85/05/602458505.db2.gz JBUVZLQQZYHPCB-UHFFFAOYSA-N -1 0 362.394 -0.838 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)CC(=O)Nc1ccccc1C(N)=O ZINC000739684733 602870880 /nfs/dbraw/zinc/87/08/80/602870880.db2.gz NSUTWHLDPZWRDO-UHFFFAOYSA-N -1 0 363.418 -0.049 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)CC(=O)NC(=O)NCc1ccco1 ZINC000739684750 602875831 /nfs/dbraw/zinc/87/58/31/602875831.db2.gz OBBGXGINENXBPW-UHFFFAOYSA-N -1 0 367.406 -0.167 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)Cn1nc2ccccn2c1=O ZINC000739684916 602495446 /nfs/dbraw/zinc/49/54/46/602495446.db2.gz KIIUPESXMJTBBY-UHFFFAOYSA-N -1 0 362.390 -0.750 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCCN1C(=O)CCC1=O ZINC000739684952 603043786 /nfs/dbraw/zinc/04/37/86/603043786.db2.gz UEEMCCOZFPUHAR-UHFFFAOYSA-N -1 0 355.395 -0.928 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000739684978 602492168 /nfs/dbraw/zinc/49/21/68/602492168.db2.gz KYGHYAWQWIVLJC-UHFFFAOYSA-N -1 0 355.395 -0.929 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCCCN1CCOC1=O ZINC000739685042 602631496 /nfs/dbraw/zinc/63/14/96/602631496.db2.gz UYWKIYTYZJPNGG-UHFFFAOYSA-N -1 0 357.411 -0.234 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000739685070 602918036 /nfs/dbraw/zinc/91/80/36/602918036.db2.gz VFWHJGIJCKMSJV-GFCCVEGCSA-N -1 0 351.411 -0.470 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000739685080 602917736 /nfs/dbraw/zinc/91/77/36/602917736.db2.gz VFWHJGIJCKMSJV-LBPRGKRZSA-N -1 0 351.411 -0.470 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)CC(=O)NC(=O)NCC(F)(F)F ZINC000739685261 602868811 /nfs/dbraw/zinc/86/88/11/602868811.db2.gz TWNXIQZXDODOKT-UHFFFAOYSA-N -1 0 369.344 -0.398 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCCCN1CCCC1=O ZINC000739685465 602608963 /nfs/dbraw/zinc/60/89/63/602608963.db2.gz VVWYBVYGUQJEAA-UHFFFAOYSA-N -1 0 355.439 -0.064 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCCCS(C)(=O)=O ZINC000739685549 602726753 /nfs/dbraw/zinc/72/67/53/602726753.db2.gz XHENCDPPLBDJJL-UHFFFAOYSA-N -1 0 350.441 -0.642 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCCOC[C@H]1CCOC1 ZINC000739685571 602756776 /nfs/dbraw/zinc/75/67/76/602756776.db2.gz XTCLYZIXLHVFPP-AWEZNQCLSA-N -1 0 358.439 -0.024 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCCOC[C@@H]1CCOC1 ZINC000739685573 602756662 /nfs/dbraw/zinc/75/66/62/602756662.db2.gz XTCLYZIXLHVFPP-CQSZACIVSA-N -1 0 358.439 -0.024 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCCCC(=O)NC1CC1 ZINC000739685629 602618392 /nfs/dbraw/zinc/61/83/92/602618392.db2.gz ZBMQQEAWSAVERX-UHFFFAOYSA-N -1 0 355.439 -0.018 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)CNC(=O)NCc1ccco1 ZINC000739685630 602497728 /nfs/dbraw/zinc/49/77/28/602497728.db2.gz OMMMPTLAJQZMFG-UHFFFAOYSA-N -1 0 367.406 -0.167 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)CSc1nnnn1C1CC1 ZINC000739685659 602495534 /nfs/dbraw/zinc/49/55/34/602495534.db2.gz PRGHFGUDUQFMKV-UHFFFAOYSA-N -1 0 369.451 -0.146 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)CC(=O)N(C)Cc1cnn(C)c1 ZINC000739685730 602871132 /nfs/dbraw/zinc/87/11/32/602871132.db2.gz XHHGBQMMYTULBW-UHFFFAOYSA-N -1 0 352.439 -0.394 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)CC(=O)N1CCC2(CC1)OCCO2 ZINC000739685757 602869469 /nfs/dbraw/zinc/86/94/69/602869469.db2.gz XSFOPJBTMIIGAY-UHFFFAOYSA-N -1 0 370.450 -0.421 20 0 FBADRM CN(CCCNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000739685821 602315045 /nfs/dbraw/zinc/31/50/45/602315045.db2.gz WYLGXEDMXZRGFC-UHFFFAOYSA-N -1 0 371.375 -0.688 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)Cn1nnc2ccccc2c1=O ZINC000739686007 602494282 /nfs/dbraw/zinc/49/42/82/602494282.db2.gz TVQACCRWBKLGNY-UHFFFAOYSA-N -1 0 374.401 -0.455 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)CCN1CCCS1(=O)=O ZINC000739686011 602496543 /nfs/dbraw/zinc/49/65/43/602496543.db2.gz UBWZLHVJKXPYRT-UHFFFAOYSA-N -1 0 362.452 -0.834 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)CCSc1nnnn1C ZINC000739686033 602497802 /nfs/dbraw/zinc/49/78/02/602497802.db2.gz UQVMTIJDTUZUKJ-UHFFFAOYSA-N -1 0 357.440 -0.554 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000739686048 602495663 /nfs/dbraw/zinc/49/56/63/602495663.db2.gz VEGQYWCYRNUUME-UHFFFAOYSA-N -1 0 373.417 -0.041 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)CCCN1C(=O)CNC1=O ZINC000739686171 602493529 /nfs/dbraw/zinc/49/35/29/602493529.db2.gz ZVXWLNHPLIRBEH-UHFFFAOYSA-N -1 0 355.395 -0.928 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)CCC(=O)N1CCOCC1 ZINC000739686177 602492529 /nfs/dbraw/zinc/49/25/29/602492529.db2.gz ZZWPOMWUYCZWJG-UHFFFAOYSA-N -1 0 356.423 -0.621 20 0 FBADRM CN(CCN1CCOCC1)C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739686379 602325715 /nfs/dbraw/zinc/32/57/15/602325715.db2.gz AIGRVQGHRYHMNO-UHFFFAOYSA-N -1 0 366.422 -0.003 20 0 FBADRM CN(CCNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F)C(=O)[O-] ZINC000739686515 602768557 /nfs/dbraw/zinc/76/85/57/602768557.db2.gz DSULLKARKPLHOM-UHFFFAOYSA-N -1 0 351.298 -0.534 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)S(=O)(=O)N(C)C1CCOCC1 ZINC000739686680 603085468 /nfs/dbraw/zinc/08/54/68/603085468.db2.gz GSHBNHBFUWWVOE-UHFFFAOYSA-N -1 0 364.468 -0.431 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)S(=O)(=O)c1ncn(C)c1Cl ZINC000739686715 602549998 /nfs/dbraw/zinc/54/99/98/602549998.db2.gz HTUYSHDEUQKPDD-UHFFFAOYSA-N -1 0 365.843 -0.010 20 0 FBADRM CN(CCN1CCOCC1)C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739686728 602619897 /nfs/dbraw/zinc/61/98/97/602619897.db2.gz IGZPMIOTAAUGSR-UHFFFAOYSA-N -1 0 357.455 -0.354 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000739687154 602576394 /nfs/dbraw/zinc/57/63/94/602576394.db2.gz CABDBOTVTIWTJM-UHFFFAOYSA-N -1 0 373.435 -0.960 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1ccc(OCC(N)=O)cc1 ZINC000739687341 602493542 /nfs/dbraw/zinc/49/35/42/602493542.db2.gz DWVHTGDTZRNEJT-UHFFFAOYSA-N -1 0 364.402 -0.082 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000739687350 602576331 /nfs/dbraw/zinc/57/63/31/602576331.db2.gz FAIWPQKVWLWZBY-UHFFFAOYSA-N -1 0 360.370 -0.062 20 0 FBADRM CN(CCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)C(=O)[O-] ZINC000739687512 602764391 /nfs/dbraw/zinc/76/43/91/602764391.db2.gz PDRJQPIKELNUBZ-UHFFFAOYSA-N -1 0 363.374 -0.713 20 0 FBADRM CN(CCNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000739687744 602766047 /nfs/dbraw/zinc/76/60/47/602766047.db2.gz PPIOPVQYAXYQJM-UHFFFAOYSA-N -1 0 362.339 -0.862 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000739687843 602549959 /nfs/dbraw/zinc/54/99/59/602549959.db2.gz RGTDAOGBAVOOGL-UHFFFAOYSA-N -1 0 373.435 -0.960 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000739687936 602551331 /nfs/dbraw/zinc/55/13/31/602551331.db2.gz SWRQCAONSWCQMT-UHFFFAOYSA-N -1 0 370.431 -0.298 20 0 FBADRM CN(CCNC(=O)C(=O)Nc1ccc(CS(C)(=O)=O)cc1)C(=O)[O-] ZINC000739687949 602765973 /nfs/dbraw/zinc/76/59/73/602765973.db2.gz UBOWBMMDLAHKKH-UHFFFAOYSA-N -1 0 357.388 -0.104 20 0 FBADRM CN(CCNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)C(=O)[O-] ZINC000739687951 602766756 /nfs/dbraw/zinc/76/67/56/602766756.db2.gz UCONXRMSOOSPQF-UHFFFAOYSA-N -1 0 372.403 -0.600 20 0 FBADRM CN(CCNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F)C(=O)[O-] ZINC000739688333 602764446 /nfs/dbraw/zinc/76/44/46/602764446.db2.gz ZOTQONJJFRBEJU-UHFFFAOYSA-N -1 0 361.351 -0.106 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1ccccc1OCC(N)=O ZINC000739688724 602494657 /nfs/dbraw/zinc/49/46/57/602494657.db2.gz QZEVMSLCTOOCSS-UHFFFAOYSA-N -1 0 364.402 -0.082 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1cnc2n(c1=O)CCS2 ZINC000739688768 602493494 /nfs/dbraw/zinc/49/34/94/602493494.db2.gz RRKMMHIJCAPHHE-UHFFFAOYSA-N -1 0 367.431 -0.283 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1cccc(OCC(N)=O)c1 ZINC000739689173 602495542 /nfs/dbraw/zinc/49/55/42/602495542.db2.gz WDTUXHVPKYYGMS-UHFFFAOYSA-N -1 0 364.402 -0.082 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000739689193 602495524 /nfs/dbraw/zinc/49/55/24/602495524.db2.gz WLZLRAGQZXJPBY-UHFFFAOYSA-N -1 0 360.392 -0.705 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN(C)C(=O)[O-])c1 ZINC000739689350 602768488 /nfs/dbraw/zinc/76/84/88/602768488.db2.gz DHJMUVHEWAVNOZ-UHFFFAOYSA-N -1 0 372.403 -0.399 20 0 FBADRM CN(CCNC(=O)C(=O)Nc1ccccc1CS(C)(=O)=O)C(=O)[O-] ZINC000739689358 602768637 /nfs/dbraw/zinc/76/86/37/602768637.db2.gz DQYKBNIKOCIUJS-UHFFFAOYSA-N -1 0 357.388 -0.104 20 0 FBADRM CN(CCNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000739689372 602495908 /nfs/dbraw/zinc/49/59/08/602495908.db2.gz SLFGZMIZAJLMJR-CYBMUJFWSA-N -1 0 356.423 -0.574 20 0 FBADRM CN(CCNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000739689374 602495884 /nfs/dbraw/zinc/49/58/84/602495884.db2.gz SLFGZMIZAJLMJR-ZDUSSCGKSA-N -1 0 356.423 -0.574 20 0 FBADRM CN(CCNC(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1)C(=O)[O-] ZINC000739690003 603092486 /nfs/dbraw/zinc/09/24/86/603092486.db2.gz YSPWEYAZKHOHFT-LLVKDONJSA-N -1 0 351.363 -0.097 20 0 FBADRM CN(CCNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1)C(=O)[O-] ZINC000739690004 603092311 /nfs/dbraw/zinc/09/23/11/603092311.db2.gz YSPWEYAZKHOHFT-NSHDSACASA-N -1 0 351.363 -0.097 20 0 FBADRM CN(CCNC(=O)C(=O)Nc1cccc(Cn2cccnc2=O)c1)C(=O)[O-] ZINC000739690174 602768644 /nfs/dbraw/zinc/76/86/44/602768644.db2.gz NFKOUQOBSURDIK-UHFFFAOYSA-N -1 0 373.369 -0.044 20 0 FBADRM CN(CCNC(=O)C(=O)Nc1cccnc1N1CCOCC1)C(=O)[O-] ZINC000739690380 602767063 /nfs/dbraw/zinc/76/70/63/602767063.db2.gz OPAYPNROYOQVQY-UHFFFAOYSA-N -1 0 351.363 -0.417 20 0 FBADRM CN(CCNC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)C(=O)[O-] ZINC000739690388 602341059 /nfs/dbraw/zinc/34/10/59/602341059.db2.gz OUBFXFZNCDWNSQ-GFCCVEGCSA-N -1 0 351.338 -0.028 20 0 FBADRM CN(CCNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)C(=O)[O-] ZINC000739690389 602341317 /nfs/dbraw/zinc/34/13/17/602341317.db2.gz OUBFXFZNCDWNSQ-LBPRGKRZSA-N -1 0 351.338 -0.028 20 0 FBADRM CN(CCNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000739690592 602444009 /nfs/dbraw/zinc/44/40/09/602444009.db2.gz BDGBBRWFFIKMEK-UHFFFAOYSA-N -1 0 355.395 -0.928 20 0 FBADRM CN(CCNC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)C(=O)[O-] ZINC000739690623 602444015 /nfs/dbraw/zinc/44/40/15/602444015.db2.gz BVSPBNZRCQTDHI-UHFFFAOYSA-N -1 0 350.379 -0.378 20 0 FBADRM CN(CCNC(=O)C(=O)Nc1cccc(CS(C)(=O)=O)c1)C(=O)[O-] ZINC000739691200 602766979 /nfs/dbraw/zinc/76/69/79/602766979.db2.gz YAGQGWAUYGCHRJ-UHFFFAOYSA-N -1 0 357.388 -0.104 20 0 FBADRM CN(CCNC(=O)N1CCN(CC(=O)N2CCCCC2)CC1)C(=O)[O-] ZINC000739691669 602633470 /nfs/dbraw/zinc/63/34/70/602633470.db2.gz KAFVXBGUFOEZNI-UHFFFAOYSA-N -1 0 355.439 -0.064 20 0 FBADRM CN(CCNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)[O-] ZINC000739693256 603023097 /nfs/dbraw/zinc/02/30/97/603023097.db2.gz VHHFQQFJHIPTAT-UHFFFAOYSA-N -1 0 358.395 -0.208 20 0 FBADRM CN(CCNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000739693315 602300441 /nfs/dbraw/zinc/30/04/41/602300441.db2.gz VZQHQORMIIZTFQ-UHFFFAOYSA-N -1 0 354.388 -0.207 20 0 FBADRM CN(CCNC(=O)CN1CCN(C(=O)[O-])CC1=O)C(=O)OC(C)(C)C ZINC000739693380 603023080 /nfs/dbraw/zinc/02/30/80/603023080.db2.gz YNGICJBQGJNGFN-UHFFFAOYSA-N -1 0 358.395 -0.208 20 0 FBADRM CN(CCNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)C(=O)[O-] ZINC000739693532 602574364 /nfs/dbraw/zinc/57/43/64/602574364.db2.gz VLBKCBKDLPPLCI-LLVKDONJSA-N -1 0 366.440 -0.616 20 0 FBADRM CN(CCNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)C(=O)[O-] ZINC000739693541 602574081 /nfs/dbraw/zinc/57/40/81/602574081.db2.gz VLBKCBKDLPPLCI-NSHDSACASA-N -1 0 366.440 -0.616 20 0 FBADRM CN(CCNC(=O)NCCS(=O)(=O)N1CCSCC1)C(=O)[O-] ZINC000739693665 602545216 /nfs/dbraw/zinc/54/52/16/602545216.db2.gz XEAYGRCSWLXPHQ-UHFFFAOYSA-N -1 0 354.454 -0.726 20 0 FBADRM CN(CCNC(=O)N1CCN(c2ncccc2C(N)=O)CC1)C(=O)[O-] ZINC000739694041 603361756 /nfs/dbraw/zinc/36/17/56/603361756.db2.gz YLNVCNCOAIWUKC-UHFFFAOYSA-N -1 0 350.379 -0.378 20 0 FBADRM CN(CCNC(=O)NCCCN1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000739694058 602437539 /nfs/dbraw/zinc/43/75/39/602437539.db2.gz IPYGZAUJAYPHBL-UHFFFAOYSA-N -1 0 365.438 -0.102 20 0 FBADRM CN(CCNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)CC(F)(F)F ZINC000739694078 602691355 /nfs/dbraw/zinc/69/13/55/602691355.db2.gz JAWACTWWPPTZBW-UHFFFAOYSA-N -1 0 369.344 -0.398 20 0 FBADRM CN(CCNC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)C(=O)[O-] ZINC000739694173 602633514 /nfs/dbraw/zinc/63/35/14/602633514.db2.gz ZMAHOXIVLAIDED-UHFFFAOYSA-N -1 0 362.394 -0.195 20 0 FBADRM CN(CCNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)C(=O)[O-] ZINC000739694289 602298799 /nfs/dbraw/zinc/29/87/99/602298799.db2.gz JCSARXAAOUKOJJ-UHFFFAOYSA-N -1 0 360.370 -0.216 20 0 FBADRM CN(CCNC(=O)NC1CCN(CCS(C)(=O)=O)CC1)C(=O)[O-] ZINC000739694553 602749823 /nfs/dbraw/zinc/74/98/23/602749823.db2.gz NMEGBKDJFYWNDU-UHFFFAOYSA-N -1 0 350.441 -0.596 20 0 FBADRM O=C([O-])CCCS(=O)(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000739694956 600493769 /nfs/dbraw/zinc/49/37/69/600493769.db2.gz OZZZKVIBKYWWDU-UHFFFAOYSA-N -1 0 364.445 -0.110 20 0 FBADRM O=C([O-])CCCS(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000739694973 600499885 /nfs/dbraw/zinc/49/98/85/600499885.db2.gz QRFLEPBPVMYGFZ-LLVKDONJSA-N -1 0 372.465 -0.741 20 0 FBADRM O=C([O-])CCCS(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000739694978 600500076 /nfs/dbraw/zinc/50/00/76/600500076.db2.gz QRFLEPBPVMYGFZ-NSHDSACASA-N -1 0 372.465 -0.741 20 0 FBADRM O=C([O-])CCCS(=O)(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000739696416 600402195 /nfs/dbraw/zinc/40/21/95/600402195.db2.gz YIXXHOLOWPYXIJ-UHFFFAOYSA-N -1 0 371.463 -0.227 20 0 FBADRM CN(CCNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C(=O)[O-] ZINC000739696865 603348219 /nfs/dbraw/zinc/34/82/19/603348219.db2.gz FEKIZVDZDIFQGT-UHFFFAOYSA-N -1 0 354.367 -0.527 20 0 FBADRM CN(CCNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000739697240 602587140 /nfs/dbraw/zinc/58/71/40/602587140.db2.gz LENWCYIFINVAQS-UHFFFAOYSA-N -1 0 350.335 -0.637 20 0 FBADRM CN(CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C(=O)[O-] ZINC000739698164 602299325 /nfs/dbraw/zinc/29/93/25/602299325.db2.gz UWHPNFJGKGAJNL-UHFFFAOYSA-N -1 0 374.419 -0.614 20 0 FBADRM O=C([O-])CCCc1nc(CN2CCN(C(=O)C(=O)NC3CC3)CC2)no1 ZINC000739698363 600290911 /nfs/dbraw/zinc/29/09/11/600290911.db2.gz RNYCFWAOHVBEAY-UHFFFAOYSA-N -1 0 365.390 -0.600 20 0 FBADRM O=C([O-])CCCc1nc(CN2CCN(CC(=O)NC3CC3)CC2)no1 ZINC000739698367 600286893 /nfs/dbraw/zinc/28/68/93/600286893.db2.gz RTJVPISODPJCOP-UHFFFAOYSA-N -1 0 351.407 -0.127 20 0 FBADRM CN(CCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)C(=O)[O-] ZINC000739698891 602419144 /nfs/dbraw/zinc/41/91/44/602419144.db2.gz SAUMDBGPVVWTTK-UHFFFAOYSA-N -1 0 366.359 -0.563 20 0 FBADRM CN(CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)C(=O)[O-] ZINC000739698921 602297659 /nfs/dbraw/zinc/29/76/59/602297659.db2.gz UFKNGVXBNZEFOC-UHFFFAOYSA-N -1 0 361.376 -0.360 20 0 FBADRM CN(CCOC(=O)[C@H]1CCCN1C(=O)[O-])S(=O)(=O)N1CCOCC1 ZINC000739700210 602684549 /nfs/dbraw/zinc/68/45/49/602684549.db2.gz ATERIHRXMHWVHT-LLVKDONJSA-N -1 0 365.408 -0.819 20 0 FBADRM CN(CCOC(=O)[C@@H]1CCCN1C(=O)[O-])S(=O)(=O)N1CCOCC1 ZINC000739700211 602684542 /nfs/dbraw/zinc/68/45/42/602684542.db2.gz ATERIHRXMHWVHT-NSHDSACASA-N -1 0 365.408 -0.819 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccc(C(=O)NCCCNC(=O)[O-])cc1 ZINC000739700213 602407881 /nfs/dbraw/zinc/40/78/81/602407881.db2.gz AJEOPDNDQZOXPJ-UHFFFAOYSA-N -1 0 359.404 -0.313 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000739700255 602596008 /nfs/dbraw/zinc/59/60/08/602596008.db2.gz BOYBNPPHKPZQBY-GFCCVEGCSA-N -1 0 371.415 -0.219 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000739700256 602596149 /nfs/dbraw/zinc/59/61/49/602596149.db2.gz BOYBNPPHKPZQBY-LBPRGKRZSA-N -1 0 371.415 -0.219 20 0 FBADRM CN(CCOC(=O)[C@@H]1CCN(C(=O)[O-])C1)S(=O)(=O)N1CCOCC1 ZINC000739700258 602963325 /nfs/dbraw/zinc/96/33/25/602963325.db2.gz IJOGJRRLLKTYJQ-LLVKDONJSA-N -1 0 365.408 -0.962 20 0 FBADRM CN(CCOC(=O)[C@H]1CCN(C(=O)[O-])C1)S(=O)(=O)N1CCOCC1 ZINC000739700261 602963311 /nfs/dbraw/zinc/96/33/11/602963311.db2.gz IJOGJRRLLKTYJQ-NSHDSACASA-N -1 0 365.408 -0.962 20 0 FBADRM CN(CCOC(=O)CC(C)(C)NC(=O)[O-])S(=O)(=O)N1CCOCC1 ZINC000739700289 603161596 /nfs/dbraw/zinc/16/15/96/603161596.db2.gz JCZLFTSDHGIJAR-UHFFFAOYSA-N -1 0 367.424 -0.525 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCCN(C)C(=O)[O-])c1 ZINC000739700704 602317476 /nfs/dbraw/zinc/31/74/76/602317476.db2.gz GOSRNFQCRMHRLI-UHFFFAOYSA-N -1 0 365.433 -0.175 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NCCNC(=O)[O-] ZINC000739700723 602740584 /nfs/dbraw/zinc/74/05/84/602740584.db2.gz HHJMSMNMFWUXIN-UHFFFAOYSA-N -1 0 374.419 -0.634 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C(C)(C)NC(=O)[O-] ZINC000739700776 603056661 /nfs/dbraw/zinc/05/66/61/603056661.db2.gz ITIKRQNZLFASBX-UHFFFAOYSA-N -1 0 373.431 -0.038 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCN(C)C(=O)[O-])cc1 ZINC000739700785 602317441 /nfs/dbraw/zinc/31/74/41/602317441.db2.gz IYZJRTNIBYPRIR-UHFFFAOYSA-N -1 0 365.433 -0.175 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000739701755 604505983 /nfs/dbraw/zinc/50/59/83/604505983.db2.gz WOVNDBQUVHXAEX-GFCCVEGCSA-N -1 0 371.415 -0.219 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000739701759 605954538 /nfs/dbraw/zinc/95/45/38/605954538.db2.gz WOVNDBQUVHXAEX-LBPRGKRZSA-N -1 0 371.415 -0.219 20 0 FBADRM O=C([O-])CCCc1nnc(NC(=O)CN2CCS(=O)(=O)CC2)s1 ZINC000739702930 600537432 /nfs/dbraw/zinc/53/74/32/600537432.db2.gz IODWEVQVUCTZEH-UHFFFAOYSA-N -1 0 362.433 -0.386 20 0 FBADRM CN(CCS(C)(=O)=O)C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739703510 602259536 /nfs/dbraw/zinc/25/95/36/602259536.db2.gz DRTAWWQHRAJMAV-UHFFFAOYSA-N -1 0 350.441 -0.642 20 0 FBADRM CN(CCn1cccn1)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739703788 603048843 /nfs/dbraw/zinc/04/88/43/603048843.db2.gz FMUVOFAVZZUZNU-UHFFFAOYSA-N -1 0 350.379 -0.163 20 0 FBADRM CN(CCc1ccccn1)C(=O)CNC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000739704072 602883682 /nfs/dbraw/zinc/88/36/82/602883682.db2.gz GVICBIZEYLXVNH-CYBMUJFWSA-N -1 0 350.375 -0.423 20 0 FBADRM CN(CCc1ccccn1)C(=O)CNC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000739704073 602883748 /nfs/dbraw/zinc/88/37/48/602883748.db2.gz GVICBIZEYLXVNH-ZDUSSCGKSA-N -1 0 350.375 -0.423 20 0 FBADRM O=C([O-])CCCc1nnc(NC(=O)CCn2cc[nH]c(=O)c2=O)s1 ZINC000739704495 600555261 /nfs/dbraw/zinc/55/52/61/600555261.db2.gz VIIQDWNNNBSETQ-UHFFFAOYSA-N -1 0 353.360 -0.176 20 0 FBADRM CN(CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000739706041 603047384 /nfs/dbraw/zinc/04/73/84/603047384.db2.gz ZEZDWXXQHOINNK-JTQLQIEISA-N -1 0 374.419 -0.873 20 0 FBADRM CN(CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000739706044 603047443 /nfs/dbraw/zinc/04/74/43/603047443.db2.gz ZEZDWXXQHOINNK-SNVBAGLBSA-N -1 0 374.419 -0.873 20 0 FBADRM CN(CCS(C)(=O)=O)C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739706192 602249579 /nfs/dbraw/zinc/24/95/79/602249579.db2.gz YRCAODBTGDFKOW-UHFFFAOYSA-N -1 0 359.408 -0.290 20 0 FBADRM O=C([O-])CCCc1nnc(NC(=O)NCCN2C(=O)CNC2=O)s1 ZINC000739708211 600638223 /nfs/dbraw/zinc/63/82/23/600638223.db2.gz OFPYZIAOKFCKCL-UHFFFAOYSA-N -1 0 356.364 -0.381 20 0 FBADRM CN(Cc1ccccc1)C(=O)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739711851 602994632 /nfs/dbraw/zinc/99/46/32/602994632.db2.gz GGDXZTCJRPENGF-UHFFFAOYSA-N -1 0 362.386 -0.417 20 0 FBADRM CN(Cc1ccco1)C(=O)COC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739715027 603111310 /nfs/dbraw/zinc/11/13/10/603111310.db2.gz NKQXVYULRPHSLN-UHFFFAOYSA-N -1 0 353.331 -0.397 20 0 FBADRM CN(Cc1nc(-c2cccnc2)no1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739715937 603028239 /nfs/dbraw/zinc/02/82/39/603028239.db2.gz JAXPBHYPMDYFEY-UHFFFAOYSA-N -1 0 374.357 -0.088 20 0 FBADRM CN(Cc1cnn(C)c1)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739718229 603047347 /nfs/dbraw/zinc/04/73/47/603047347.db2.gz USFQVCUSSIBJIL-UHFFFAOYSA-N -1 0 350.379 -0.126 20 0 FBADRM CN(Cc1nnc2n1CCCCC2)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739721037 603015439 /nfs/dbraw/zinc/01/54/39/603015439.db2.gz RQHXNTDNZXVKAK-UHFFFAOYSA-N -1 0 364.406 -0.215 20 0 FBADRM CN(c1ccc(CNC(=O)COCCNC(=O)[O-])cc1)S(C)(=O)=O ZINC000739721069 602667256 /nfs/dbraw/zinc/66/72/56/602667256.db2.gz STSGEBGMGAKNKI-UHFFFAOYSA-N -1 0 359.404 -0.017 20 0 FBADRM O=C([O-])CCN(C[C@H]1CCCO1)S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000739721243 600521172 /nfs/dbraw/zinc/52/11/72/600521172.db2.gz FJDSAZOFJAJHOQ-LLVKDONJSA-N -1 0 369.461 -0.151 20 0 FBADRM O=C([O-])CCN(C[C@@H]1CCCO1)S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000739721245 600521042 /nfs/dbraw/zinc/52/10/42/600521042.db2.gz FJDSAZOFJAJHOQ-NSHDSACASA-N -1 0 369.461 -0.151 20 0 FBADRM CN1C(=O)c2ccc(NC(=O)C(=O)N3CC[C@H](CNC(=O)[O-])C3)cc2C1=O ZINC000739721859 602205446 /nfs/dbraw/zinc/20/54/46/602205446.db2.gz AAHFPGFWNXOSNI-SECBINFHSA-N -1 0 374.353 -0.033 20 0 FBADRM CN1C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@H](CNC(=O)[O-])C3)cc2C1=O ZINC000739721860 602205577 /nfs/dbraw/zinc/20/55/77/602205577.db2.gz AAHFPGFWNXOSNI-VIFPVBQESA-N -1 0 374.353 -0.033 20 0 FBADRM CN1C(=O)c2ccc(NC(=O)CN3CCN(C(=O)[O-])CC3=O)cc2C1=O ZINC000739722738 602984723 /nfs/dbraw/zinc/98/47/23/602984723.db2.gz HKLWGESPWXFSGL-UHFFFAOYSA-N -1 0 360.326 -0.327 20 0 FBADRM CN1C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CCN(C(=O)[O-])C3)cc2C1=O ZINC000739722886 602648266 /nfs/dbraw/zinc/64/82/66/602648266.db2.gz IUWDQSQDFQRVKD-SECBINFHSA-N -1 0 360.326 -0.281 20 0 FBADRM CN1C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CCN(C(=O)[O-])C3)cc2C1=O ZINC000739722887 602648356 /nfs/dbraw/zinc/64/83/56/602648356.db2.gz IUWDQSQDFQRVKD-VIFPVBQESA-N -1 0 360.326 -0.281 20 0 FBADRM CN1C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@H](NC(=O)[O-])C3)cc2C1=O ZINC000739723653 604568527 /nfs/dbraw/zinc/56/85/27/604568527.db2.gz NHUSWESJBLPEFV-SECBINFHSA-N -1 0 360.326 -0.281 20 0 FBADRM CN1C(=O)c2ccc(NC(=O)C(=O)N3CC[C@H](NC(=O)[O-])C3)cc2C1=O ZINC000739723657 605114403 /nfs/dbraw/zinc/11/44/03/605114403.db2.gz NHUSWESJBLPEFV-VIFPVBQESA-N -1 0 360.326 -0.281 20 0 FBADRM CN1C(=O)N[C@@]2(CCN(C(=O)c3csc(CNC(=O)[O-])n3)C2)C1=O ZINC000739724002 602701783 /nfs/dbraw/zinc/70/17/83/602701783.db2.gz PNPRURGFJLJHAH-CYBMUJFWSA-N -1 0 353.360 -0.323 20 0 FBADRM CN1C(=O)N[C@]2(CCN(C(=O)c3csc(CNC(=O)[O-])n3)C2)C1=O ZINC000739724007 602701889 /nfs/dbraw/zinc/70/18/89/602701889.db2.gz PNPRURGFJLJHAH-ZDUSSCGKSA-N -1 0 353.360 -0.323 20 0 FBADRM CN1C[C@@H](NC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)CCC1=O ZINC000739724939 602921230 /nfs/dbraw/zinc/92/12/30/602921230.db2.gz UOLONMPVOSQKST-NEPJUHHUSA-N -1 0 369.422 -0.587 20 0 FBADRM CN1C[C@H](NC(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)CCC1=O ZINC000739724941 602921199 /nfs/dbraw/zinc/92/11/99/602921199.db2.gz UOLONMPVOSQKST-NWDGAFQWSA-N -1 0 369.422 -0.587 20 0 FBADRM CN1C[C@@H](NC(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)CCC1=O ZINC000739724942 602921331 /nfs/dbraw/zinc/92/13/31/602921331.db2.gz UOLONMPVOSQKST-RYUDHWBXSA-N -1 0 369.422 -0.587 20 0 FBADRM CN1C[C@H](NC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)CCC1=O ZINC000739724944 602921854 /nfs/dbraw/zinc/92/18/54/602921854.db2.gz UOLONMPVOSQKST-VXGBXAGGSA-N -1 0 369.422 -0.587 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)N[C@@H]3CCN(C(=O)[O-])C3)cc2C1=O ZINC000739725026 602568748 /nfs/dbraw/zinc/56/87/48/602568748.db2.gz VQGFXGJAIRAPPY-MRVPVSSYSA-N -1 0 353.356 -0.057 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)N[C@H]3CCN(C(=O)[O-])C3)cc2C1=O ZINC000739725027 602568974 /nfs/dbraw/zinc/56/89/74/602568974.db2.gz VQGFXGJAIRAPPY-QMMMGPOBSA-N -1 0 353.356 -0.057 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)N3CC[C@@H](NC(=O)[O-])C3)cc2C1=O ZINC000739725570 604336033 /nfs/dbraw/zinc/33/60/33/604336033.db2.gz XOXGOGVYTDMQLZ-MRVPVSSYSA-N -1 0 353.356 -0.057 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)N3CC[C@H](NC(=O)[O-])C3)cc2C1=O ZINC000739725571 605944393 /nfs/dbraw/zinc/94/43/93/605944393.db2.gz XOXGOGVYTDMQLZ-QMMMGPOBSA-N -1 0 353.356 -0.057 20 0 FBADRM CN1C[C@@H](NC(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)CCC1=O ZINC000739725689 602816873 /nfs/dbraw/zinc/81/68/73/602816873.db2.gz OFHQOINKQBRUJR-JTQLQIEISA-N -1 0 350.379 -0.056 20 0 FBADRM CN1C[C@H](NC(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)CCC1=O ZINC000739725690 602816941 /nfs/dbraw/zinc/81/69/41/602816941.db2.gz OFHQOINKQBRUJR-SNVBAGLBSA-N -1 0 350.379 -0.056 20 0 FBADRM CN1C(=O)N[C@]2(CCN(C(=O)C(C)(C)N3CCN(C(=O)[O-])CC3)C2)C1=O ZINC000739725869 603174242 /nfs/dbraw/zinc/17/42/42/603174242.db2.gz BHJIUAZDIDWQNY-INIZCTEOSA-N -1 0 367.406 -0.787 20 0 FBADRM CN1C(=O)N[C@@]2(CCN(C(=O)C(C)(C)N3CCN(C(=O)[O-])CC3)C2)C1=O ZINC000739725872 603174150 /nfs/dbraw/zinc/17/41/50/603174150.db2.gz BHJIUAZDIDWQNY-MRXNPFEDSA-N -1 0 367.406 -0.787 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)OCc2nc(C(C)(C)NC(=O)[O-])no2)C1=O ZINC000739725900 602936108 /nfs/dbraw/zinc/93/61/08/602936108.db2.gz BOCNCVGDGRKFCF-UHFFFAOYSA-N -1 0 369.290 -0.964 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)NCC2(NC(=O)[O-])CCCCCC2)C1=O ZINC000739726196 602776718 /nfs/dbraw/zinc/77/67/18/602776718.db2.gz FJBDPUUAJKTNIJ-UHFFFAOYSA-N -1 0 354.363 -0.116 20 0 FBADRM CN1C(=O)N[C@]2(CCN(C(=O)C3(NC(=O)[O-])Cc4ccccc4C3)C2)C1=O ZINC000739726689 603173747 /nfs/dbraw/zinc/17/37/47/603173747.db2.gz HNQNLEBQJICMKP-KRWDZBQOSA-N -1 0 372.381 -0.056 20 0 FBADRM CN1C(=O)N[C@@]2(CCN(C(=O)C3(NC(=O)[O-])Cc4ccccc4C3)C2)C1=O ZINC000739726693 603173760 /nfs/dbraw/zinc/17/37/60/603173760.db2.gz HNQNLEBQJICMKP-QGZVFWFLSA-N -1 0 372.381 -0.056 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)[O-])Cc3ccccc32)C1=O ZINC000739726750 602750953 /nfs/dbraw/zinc/75/09/53/602750953.db2.gz HZFQOKURXLXFNR-UHFFFAOYSA-N -1 0 360.326 -0.066 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)Nc2nc3c(s2)CN(C(=O)[O-])CC3)C1=O ZINC000739727187 602750073 /nfs/dbraw/zinc/75/00/73/602750073.db2.gz JIZUWDCCCHCPTE-UHFFFAOYSA-N -1 0 367.343 -0.462 20 0 FBADRM O=C([O-])CCN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC1 ZINC000739728059 600223442 /nfs/dbraw/zinc/22/34/42/600223442.db2.gz NMHBDXYSHLCJQV-UHFFFAOYSA-N -1 0 367.427 -0.247 20 0 FBADRM CN(CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O)[C@H]1CCN(C)C1=O ZINC000739728441 603052763 /nfs/dbraw/zinc/05/27/63/603052763.db2.gz BQKUDLHFBNRBFN-JTQLQIEISA-N -1 0 353.379 -0.829 20 0 FBADRM CN(CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O)[C@@H]1CCN(C)C1=O ZINC000739728444 603052626 /nfs/dbraw/zinc/05/26/26/603052626.db2.gz BQKUDLHFBNRBFN-SNVBAGLBSA-N -1 0 353.379 -0.829 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N2CCC([C@H]3CCCN3C(=O)[O-])CC2)C1=O ZINC000739728859 602780430 /nfs/dbraw/zinc/78/04/30/602780430.db2.gz ONLNMJXBSDVFIX-LLVKDONJSA-N -1 0 366.374 -0.212 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N2CCC([C@@H]3CCCN3C(=O)[O-])CC2)C1=O ZINC000739728866 602780823 /nfs/dbraw/zinc/78/08/23/602780823.db2.gz ONLNMJXBSDVFIX-NSHDSACASA-N -1 0 366.374 -0.212 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N(C2CC2)C2CCN(C(=O)[O-])CC2)C1=O ZINC000739729021 602750057 /nfs/dbraw/zinc/75/00/57/602750057.db2.gz QCMANEDCEVEBFX-UHFFFAOYSA-N -1 0 352.347 -0.460 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)c2csc(CNC(=O)[O-])n2)CC1 ZINC000739729197 602721593 /nfs/dbraw/zinc/72/15/93/602721593.db2.gz BWRDXKLEOPGAEZ-UHFFFAOYSA-N -1 0 355.420 -0.195 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)N2CCC[C@H](CNC(=O)[O-])C2)CC1 ZINC000739729205 602085368 /nfs/dbraw/zinc/08/53/68/602085368.db2.gz CBCCBQGFWIXHBB-CYBMUJFWSA-N -1 0 355.439 -0.160 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)CC1 ZINC000739729206 602084905 /nfs/dbraw/zinc/08/49/05/602084905.db2.gz CBCCBQGFWIXHBB-ZDUSSCGKSA-N -1 0 355.439 -0.160 20 0 FBADRM CN1CCN(C(=O)C2CCN(C(=O)[C@@H]3COCCN3C(=O)[O-])CC2)CC1 ZINC000739729278 602846843 /nfs/dbraw/zinc/84/68/43/602846843.db2.gz DPWUQLKLCCYRMP-AWEZNQCLSA-N -1 0 368.434 -0.622 20 0 FBADRM CN1CCN(C(=O)C2CCN(C(=O)[C@H]3COCCN3C(=O)[O-])CC2)CC1 ZINC000739729279 602846917 /nfs/dbraw/zinc/84/69/17/602846917.db2.gz DPWUQLKLCCYRMP-CQSZACIVSA-N -1 0 368.434 -0.622 20 0 FBADRM CN1CCN(C(=O)CC2CCN(C(=O)NCCNC(=O)[O-])CC2)CC1 ZINC000739729281 603359212 /nfs/dbraw/zinc/35/92/12/603359212.db2.gz DQMMALAPLURKLB-UHFFFAOYSA-N -1 0 355.439 -0.160 20 0 FBADRM CN1CC[C@@H](NC(=O)C(=O)Nc2cccc(OCCNC(=O)[O-])c2)C1=O ZINC000739729377 602926702 /nfs/dbraw/zinc/92/67/02/602926702.db2.gz RCNNZIABXNRDNB-GFCCVEGCSA-N -1 0 364.358 -0.382 20 0 FBADRM CN1CC[C@H](NC(=O)C(=O)Nc2cccc(OCCNC(=O)[O-])c2)C1=O ZINC000739729379 602926897 /nfs/dbraw/zinc/92/68/97/602926897.db2.gz RCNNZIABXNRDNB-LBPRGKRZSA-N -1 0 364.358 -0.382 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)Nc2cccc(OCCNC(=O)[O-])c2)C1=O ZINC000739729545 602750920 /nfs/dbraw/zinc/75/09/20/602750920.db2.gz QYYURBQZZISYBA-UHFFFAOYSA-N -1 0 364.314 -0.308 20 0 FBADRM CN1C(=O)N[C@]2(CCN(C(=O)CN(C[C@H]3CCCO3)C(=O)[O-])C2)C1=O ZINC000739729823 603407141 /nfs/dbraw/zinc/40/71/41/603407141.db2.gz SXGZXJXVNRJUTQ-BMIGLBTASA-N -1 0 354.363 -0.702 20 0 FBADRM CN1C(=O)N[C@]2(CCN(C(=O)CN(C[C@@H]3CCCO3)C(=O)[O-])C2)C1=O ZINC000739729826 603406942 /nfs/dbraw/zinc/40/69/42/603406942.db2.gz SXGZXJXVNRJUTQ-BONVTDFDSA-N -1 0 354.363 -0.702 20 0 FBADRM CN1C(=O)N[C@@]2(CCN(C(=O)CN(C[C@H]3CCCO3)C(=O)[O-])C2)C1=O ZINC000739729829 603407040 /nfs/dbraw/zinc/40/70/40/603407040.db2.gz SXGZXJXVNRJUTQ-MEBBXXQBSA-N -1 0 354.363 -0.702 20 0 FBADRM CN1C(=O)N[C@@]2(CCN(C(=O)CN(C[C@@H]3CCCO3)C(=O)[O-])C2)C1=O ZINC000739729832 603407322 /nfs/dbraw/zinc/40/73/22/603407322.db2.gz SXGZXJXVNRJUTQ-ZUZCIYMTSA-N -1 0 354.363 -0.702 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)NCC2CCN(C(=O)[O-])CC2)CC1 ZINC000739729924 602085071 /nfs/dbraw/zinc/08/50/71/602085071.db2.gz FSSZXWICSQLWIX-UHFFFAOYSA-N -1 0 355.439 -0.160 20 0 FBADRM CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCC(=O)[O-])cc2)CC1 ZINC000739729941 597044702 /nfs/dbraw/zinc/04/47/02/597044702.db2.gz GIFMVMCUAUTONJ-UHFFFAOYSA-N -1 0 362.386 -0.858 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739729965 602698108 /nfs/dbraw/zinc/69/81/08/602698108.db2.gz GMJHEQCSVWEPHA-CYBMUJFWSA-N -1 0 355.439 -0.160 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739729968 602698123 /nfs/dbraw/zinc/69/81/23/602698123.db2.gz GMJHEQCSVWEPHA-ZDUSSCGKSA-N -1 0 355.439 -0.160 20 0 FBADRM CN1CC[C@@H](NC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)C1=O ZINC000739730123 602923495 /nfs/dbraw/zinc/92/34/95/602923495.db2.gz WECHGQGTWKLUKV-GHMZBOCLSA-N -1 0 355.395 -0.978 20 0 FBADRM CN1CC[C@H](NC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)C1=O ZINC000739730126 602923486 /nfs/dbraw/zinc/92/34/86/602923486.db2.gz WECHGQGTWKLUKV-MNOVXSKESA-N -1 0 355.395 -0.978 20 0 FBADRM CN1CC[C@H](NC(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)C1=O ZINC000739730129 602923412 /nfs/dbraw/zinc/92/34/12/602923412.db2.gz WECHGQGTWKLUKV-QWRGUYRKSA-N -1 0 355.395 -0.978 20 0 FBADRM CN1CC[C@@H](NC(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)C1=O ZINC000739730133 602923388 /nfs/dbraw/zinc/92/33/88/602923388.db2.gz WECHGQGTWKLUKV-WDEREUQCSA-N -1 0 355.395 -0.978 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000739730250 602085348 /nfs/dbraw/zinc/08/53/48/602085348.db2.gz JAPAMLJCCHOZIZ-CYBMUJFWSA-N -1 0 355.439 -0.066 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000739730253 602085300 /nfs/dbraw/zinc/08/53/00/602085300.db2.gz JAPAMLJCCHOZIZ-ZDUSSCGKSA-N -1 0 355.439 -0.066 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])C1=O ZINC000739730477 602780805 /nfs/dbraw/zinc/78/08/05/602780805.db2.gz VINOWAMVTSDEFK-GHMZBOCLSA-N -1 0 366.374 -0.070 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])C1=O ZINC000739730479 602780334 /nfs/dbraw/zinc/78/03/34/602780334.db2.gz VINOWAMVTSDEFK-MNOVXSKESA-N -1 0 366.374 -0.070 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2[C@@H]2CCCN2C(=O)[O-])C1=O ZINC000739730482 602780730 /nfs/dbraw/zinc/78/07/30/602780730.db2.gz VINOWAMVTSDEFK-QWRGUYRKSA-N -1 0 366.374 -0.070 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])C1=O ZINC000739730484 602780788 /nfs/dbraw/zinc/78/07/88/602780788.db2.gz VINOWAMVTSDEFK-WDEREUQCSA-N -1 0 366.374 -0.070 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)C1=O ZINC000739730588 602781948 /nfs/dbraw/zinc/78/19/48/602781948.db2.gz VTQGWMRWSWZDAG-GHMZBOCLSA-N -1 0 366.374 -0.212 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)C1=O ZINC000739730593 602782163 /nfs/dbraw/zinc/78/21/63/602782163.db2.gz VTQGWMRWSWZDAG-MNOVXSKESA-N -1 0 366.374 -0.212 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)C1=O ZINC000739730599 602781856 /nfs/dbraw/zinc/78/18/56/602781856.db2.gz VTQGWMRWSWZDAG-QWRGUYRKSA-N -1 0 366.374 -0.212 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)C1=O ZINC000739730605 602782072 /nfs/dbraw/zinc/78/20/72/602782072.db2.gz VTQGWMRWSWZDAG-WDEREUQCSA-N -1 0 366.374 -0.212 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N[C@@H](CNC(=O)[O-])C2CCCCC2)C1=O ZINC000739730747 602751212 /nfs/dbraw/zinc/75/12/12/602751212.db2.gz WMGQNYDMYYQWAI-JTQLQIEISA-N -1 0 354.363 -0.260 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N[C@H](CNC(=O)[O-])C2CCCCC2)C1=O ZINC000739730763 602751265 /nfs/dbraw/zinc/75/12/65/602751265.db2.gz WMGQNYDMYYQWAI-SNVBAGLBSA-N -1 0 354.363 -0.260 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)N[C@@H]2CCCCN(C(=O)[O-])C2)CC1 ZINC000739730806 602959300 /nfs/dbraw/zinc/95/93/00/602959300.db2.gz KYZVMOZSAIYILO-CYBMUJFWSA-N -1 0 355.439 -0.018 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)N[C@H]2CCCCN(C(=O)[O-])C2)CC1 ZINC000739730809 602958908 /nfs/dbraw/zinc/95/89/08/602958908.db2.gz KYZVMOZSAIYILO-ZDUSSCGKSA-N -1 0 355.439 -0.018 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)NCc2ccc(CCNC(=O)[O-])cc2)C1=O ZINC000739731225 602751011 /nfs/dbraw/zinc/75/10/11/602751011.db2.gz ZGQYWMYBYUBZLA-UHFFFAOYSA-N -1 0 362.342 -0.467 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000739731249 602903203 /nfs/dbraw/zinc/90/32/03/602903203.db2.gz MYLZTRAUCUOGOW-CYBMUJFWSA-N -1 0 356.423 -0.574 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000739731252 602903084 /nfs/dbraw/zinc/90/30/84/602903084.db2.gz MYLZTRAUCUOGOW-ZDUSSCGKSA-N -1 0 356.423 -0.574 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000739732015 602085401 /nfs/dbraw/zinc/08/54/01/602085401.db2.gz SIFZJINZXNTWGH-CYBMUJFWSA-N -1 0 355.439 -0.160 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000739732017 602085386 /nfs/dbraw/zinc/08/53/86/602085386.db2.gz SIFZJINZXNTWGH-ZDUSSCGKSA-N -1 0 355.439 -0.160 20 0 FBADRM CN1CCN(C(=O)C2CCN(C(=O)N[C@H]3CCN(C(=O)[O-])C3)CC2)CC1 ZINC000739732404 602636059 /nfs/dbraw/zinc/63/60/59/602636059.db2.gz UMAJKHYQDXFCSD-AWEZNQCLSA-N -1 0 367.450 -0.066 20 0 FBADRM CN1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CCN(C(=O)[O-])C3)CC2)CC1 ZINC000739732405 602636178 /nfs/dbraw/zinc/63/61/78/602636178.db2.gz UMAJKHYQDXFCSD-CQSZACIVSA-N -1 0 367.450 -0.066 20 0 FBADRM CN1CCN(C(=O)C2CCN(C(=O)[C@H]3CCN(C(=O)[O-])C3)CC2)CC1 ZINC000739732456 603279261 /nfs/dbraw/zinc/27/92/61/603279261.db2.gz VRHRZNYZIJPJMA-AWEZNQCLSA-N -1 0 352.435 -0.001 20 0 FBADRM CN1CCN(C(=O)C2CCN(C(=O)[C@@H]3CCN(C(=O)[O-])C3)CC2)CC1 ZINC000739732458 603279337 /nfs/dbraw/zinc/27/93/37/603279337.db2.gz VRHRZNYZIJPJMA-CQSZACIVSA-N -1 0 352.435 -0.001 20 0 FBADRM CN(C[C@H]1CCN(C(=O)NCCC(=O)N2CCN(C)CC2)C1)C(=O)[O-] ZINC000739732463 602615679 /nfs/dbraw/zinc/61/56/79/602615679.db2.gz VUWPTLRKBXTFKI-CYBMUJFWSA-N -1 0 355.439 -0.208 20 0 FBADRM CN(C[C@@H]1CCN(C(=O)NCCC(=O)N2CCN(C)CC2)C1)C(=O)[O-] ZINC000739732465 602615597 /nfs/dbraw/zinc/61/55/97/602615597.db2.gz VUWPTLRKBXTFKI-ZDUSSCGKSA-N -1 0 355.439 -0.208 20 0 FBADRM CN1CCN(C(=O)C2CCN(C(=O)NCCCNC(=O)[O-])CC2)CC1 ZINC000739732496 602421784 /nfs/dbraw/zinc/42/17/84/602421784.db2.gz WTFPNRFQNLQTMI-UHFFFAOYSA-N -1 0 355.439 -0.160 20 0 FBADRM CN(CCNC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)C(=O)[O-] ZINC000739732538 602633972 /nfs/dbraw/zinc/63/39/72/602633972.db2.gz XZGXYBALKONKEK-UHFFFAOYSA-N -1 0 355.439 -0.208 20 0 FBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)c1csc(CNC(=O)[O-])n1 ZINC000739732629 602721623 /nfs/dbraw/zinc/72/16/23/602721623.db2.gz ZJEAIFALLMFJNJ-UHFFFAOYSA-N -1 0 355.420 -0.243 20 0 FBADRM CN1CCN(C(=O)CC2CCN(C(=O)COCCNC(=O)[O-])CC2)CC1 ZINC000739732652 602667324 /nfs/dbraw/zinc/66/73/24/602667324.db2.gz ZOPBMNKSUPRDKF-UHFFFAOYSA-N -1 0 370.450 -0.327 20 0 FBADRM O=C([O-])CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000739733261 600048974 /nfs/dbraw/zinc/04/89/74/600048974.db2.gz ATLPZIWSVXIRRA-UHFFFAOYSA-N -1 0 369.443 -0.275 20 0 FBADRM O=C([O-])CCNC(=O)CN1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000739733494 599965478 /nfs/dbraw/zinc/96/54/78/599965478.db2.gz DMHHOWZGIRKDBF-UHFFFAOYSA-N -1 0 354.451 -0.356 20 0 FBADRM O=C([O-])CCNC(=O)Cn1nnc([C@@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000739733582 600275105 /nfs/dbraw/zinc/27/51/05/600275105.db2.gz JCYIENQYFYBMMF-AWEZNQCLSA-N -1 0 374.401 -0.163 20 0 FBADRM O=C([O-])CCNC(=O)Cn1nnc([C@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000739733584 600274848 /nfs/dbraw/zinc/27/48/48/600274848.db2.gz JCYIENQYFYBMMF-CQSZACIVSA-N -1 0 374.401 -0.163 20 0 FBADRM CN(C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1)[C@@H]1CCN(C)C1=O ZINC000739733762 602816116 /nfs/dbraw/zinc/81/61/16/602816116.db2.gz VQQOPNDZDSUZDR-GFCCVEGCSA-N -1 0 350.379 -0.104 20 0 FBADRM CN(C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1)[C@H]1CCN(C)C1=O ZINC000739733764 602816197 /nfs/dbraw/zinc/81/61/97/602816197.db2.gz VQQOPNDZDSUZDR-LBPRGKRZSA-N -1 0 350.379 -0.104 20 0 FBADRM O=C([O-])CCNC(=O)CN1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000739733984 600872477 /nfs/dbraw/zinc/87/24/77/600872477.db2.gz GLLGSLCXIINLSX-UHFFFAOYSA-N -1 0 354.451 -0.403 20 0 FBADRM O=C([O-])CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000739734031 600025060 /nfs/dbraw/zinc/02/50/60/600025060.db2.gz GZIDVFIZGAUFHJ-UHFFFAOYSA-N -1 0 373.406 -0.277 20 0 FBADRM CN1CCN(C)[C@H](CNC(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)C1 ZINC000739734194 602539787 /nfs/dbraw/zinc/53/97/87/602539787.db2.gz HWGZUPHTYFTIOX-CYBMUJFWSA-N -1 0 365.438 -0.431 20 0 FBADRM CN1CCN(C)[C@@H](CNC(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)C1 ZINC000739734196 602540155 /nfs/dbraw/zinc/54/01/55/602540155.db2.gz HWGZUPHTYFTIOX-ZDUSSCGKSA-N -1 0 365.438 -0.431 20 0 FBADRM O=C([O-])CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000739734399 600031116 /nfs/dbraw/zinc/03/11/16/600031116.db2.gz JMHKFKXIUOCSQE-UHFFFAOYSA-N -1 0 355.416 -0.416 20 0 FBADRM O=C([O-])CCNC(=O)CN1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000739734400 600148796 /nfs/dbraw/zinc/14/87/96/600148796.db2.gz JNNKDQAHUUMDKF-UHFFFAOYSA-N -1 0 373.417 -0.629 20 0 FBADRM O=C([O-])CCNC(=O)COC(=O)CNC(=O)N1CCc2ccccc2C1 ZINC000739734579 600734407 /nfs/dbraw/zinc/73/44/07/600734407.db2.gz LXNDUVPGGIADOL-UHFFFAOYSA-N -1 0 363.370 -0.112 20 0 FBADRM O=C([O-])CCNC(=O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000739734920 600050457 /nfs/dbraw/zinc/05/04/57/600050457.db2.gz PBAWSQPQHRLDRV-UHFFFAOYSA-N -1 0 366.393 -0.027 20 0 FBADRM O=C([O-])CCNC(=O)COC(=O)CN1CCN(c2ccccn2)CC1 ZINC000739735601 600738433 /nfs/dbraw/zinc/73/84/33/600738433.db2.gz ZLOLELXGLIELBK-UHFFFAOYSA-N -1 0 350.375 -0.662 20 0 FBADRM CN1CCN(S(=O)(=O)c2ccc(N3CC[C@@H](NC(=O)[O-])C3)nc2)CC1 ZINC000739736355 602685306 /nfs/dbraw/zinc/68/53/06/602685306.db2.gz KSYWEBNACLIRDG-GFCCVEGCSA-N -1 0 369.447 -0.136 20 0 FBADRM CN1CCN(S(=O)(=O)c2ccc(N3CC[C@H](NC(=O)[O-])C3)nc2)CC1 ZINC000739736356 602685544 /nfs/dbraw/zinc/68/55/44/602685544.db2.gz KSYWEBNACLIRDG-LBPRGKRZSA-N -1 0 369.447 -0.136 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C1(NC(=O)[O-])CCCCC1 ZINC000739737416 602496681 /nfs/dbraw/zinc/49/66/81/602496681.db2.gz FETHPRDBAWUXEU-LLVKDONJSA-N -1 0 354.407 -0.190 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C1(NC(=O)[O-])CCCCC1 ZINC000739737417 602496790 /nfs/dbraw/zinc/49/67/90/602496790.db2.gz FETHPRDBAWUXEU-NSHDSACASA-N -1 0 354.407 -0.190 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1csc(CNC(=O)[O-])n1 ZINC000739737476 602711880 /nfs/dbraw/zinc/71/18/80/602711880.db2.gz GTWRSFQVTJOXKN-SECBINFHSA-N -1 0 369.403 -0.623 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1csc(CNC(=O)[O-])n1 ZINC000739737477 602711906 /nfs/dbraw/zinc/71/19/06/602711906.db2.gz GTWRSFQVTJOXKN-VIFPVBQESA-N -1 0 369.403 -0.623 20 0 FBADRM C[NH+]1CCN(c2cc(CNC(=O)COCCNC(=O)[O-])ccn2)CC1 ZINC000739737563 602660831 /nfs/dbraw/zinc/66/08/31/602660831.db2.gz ZQQGFAITPVCGNT-UHFFFAOYSA-N -1 0 351.407 -0.266 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CC1CCN(C(=O)[O-])CC1 ZINC000739737711 602496698 /nfs/dbraw/zinc/49/66/98/602496698.db2.gz HVFZXVMECZRINV-GFCCVEGCSA-N -1 0 354.407 -0.380 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CC1CCN(C(=O)[O-])CC1 ZINC000739737714 602496831 /nfs/dbraw/zinc/49/68/31/602496831.db2.gz HVFZXVMECZRINV-LBPRGKRZSA-N -1 0 354.407 -0.380 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](NC(=O)[O-])c1ccccc1 ZINC000739737820 602496688 /nfs/dbraw/zinc/49/66/88/602496688.db2.gz JFYILNKJHSZFQV-GXTWGEPZSA-N -1 0 362.386 -0.152 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739737821 602496582 /nfs/dbraw/zinc/49/65/82/602496582.db2.gz JFYILNKJHSZFQV-JSGCOSHPSA-N -1 0 362.386 -0.152 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739737822 602496818 /nfs/dbraw/zinc/49/68/18/602496818.db2.gz JFYILNKJHSZFQV-OCCSQVGLSA-N -1 0 362.386 -0.152 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](NC(=O)[O-])c1ccccc1 ZINC000739737823 602496658 /nfs/dbraw/zinc/49/66/58/602496658.db2.gz JFYILNKJHSZFQV-TZMCWYRMSA-N -1 0 362.386 -0.152 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739737829 602496673 /nfs/dbraw/zinc/49/66/73/602496673.db2.gz JIBOXWWXWAWFAW-HTAVTVPLSA-N -1 0 354.407 -0.334 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739737830 602496709 /nfs/dbraw/zinc/49/67/09/602496709.db2.gz JIBOXWWXWAWFAW-MCIGGMRASA-N -1 0 354.407 -0.334 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N2CCC[C@@H](N(C)C(=O)[O-])C2)CC1 ZINC000739737873 602091003 /nfs/dbraw/zinc/09/10/03/602091003.db2.gz AMUDIZGXZSKALC-CYBMUJFWSA-N -1 0 355.439 -0.019 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N2CCC[C@H](N(C)C(=O)[O-])C2)CC1 ZINC000739737876 602090948 /nfs/dbraw/zinc/09/09/48/602090948.db2.gz AMUDIZGXZSKALC-ZDUSSCGKSA-N -1 0 355.439 -0.019 20 0 FBADRM CNC(=O)COc1ccc(OC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000739737913 603146125 /nfs/dbraw/zinc/14/61/25/603146125.db2.gz APUFXGWWULAXRX-UHFFFAOYSA-N -1 0 365.342 -0.461 20 0 FBADRM CNC(=O)COc1ccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000739737916 603003229 /nfs/dbraw/zinc/00/32/29/603003229.db2.gz ASQOGSIOKCBKCV-UHFFFAOYSA-N -1 0 364.358 -0.428 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)CC1 ZINC000739737930 602817890 /nfs/dbraw/zinc/81/78/90/602817890.db2.gz ATYIPGSHJVXHFL-AAEUAGOBSA-N -1 0 355.439 -0.116 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)CC1 ZINC000739737935 602817764 /nfs/dbraw/zinc/81/77/64/602817764.db2.gz ATYIPGSHJVXHFL-DGCLKSJQSA-N -1 0 355.439 -0.116 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)CC1 ZINC000739737941 602817875 /nfs/dbraw/zinc/81/78/75/602817875.db2.gz ATYIPGSHJVXHFL-WCQYABFASA-N -1 0 355.439 -0.116 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)CC1 ZINC000739737945 602817829 /nfs/dbraw/zinc/81/78/29/602817829.db2.gz ATYIPGSHJVXHFL-YPMHNXCESA-N -1 0 355.439 -0.116 20 0 FBADRM CNC(=O)COc1cccc(CNC(=O)[C@H]2COCCN2C(=O)[O-])c1 ZINC000739738026 602856127 /nfs/dbraw/zinc/85/61/27/602856127.db2.gz BFRVYHDNUSQNQO-CYBMUJFWSA-N -1 0 351.359 -0.194 20 0 FBADRM CNC(=O)COc1cccc(CNC(=O)[C@@H]2COCCN2C(=O)[O-])c1 ZINC000739738031 602856038 /nfs/dbraw/zinc/85/60/38/602856038.db2.gz BFRVYHDNUSQNQO-ZDUSSCGKSA-N -1 0 351.359 -0.194 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000739738195 602496787 /nfs/dbraw/zinc/49/67/87/602496787.db2.gz KSQISVQKGFRGBH-CYBMUJFWSA-N -1 0 362.386 -0.079 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000739738196 602496685 /nfs/dbraw/zinc/49/66/85/602496685.db2.gz KSQISVQKGFRGBH-ZDUSSCGKSA-N -1 0 362.386 -0.079 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)C(=O)NCCCNC(=O)[O-])c2ccccc2O1 ZINC000739738208 602426390 /nfs/dbraw/zinc/42/63/90/602426390.db2.gz LBXGSAWAHASRFS-GFCCVEGCSA-N -1 0 364.358 -0.700 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCNC(=O)[O-])c2ccccc2O1 ZINC000739738209 602426753 /nfs/dbraw/zinc/42/67/53/602426753.db2.gz LBXGSAWAHASRFS-LBPRGKRZSA-N -1 0 364.358 -0.700 20 0 FBADRM CNC(=O)[C@@H]1CCCN(C(=O)NCCCN2CCN(C(=O)[O-])CC2)C1 ZINC000739738233 603357289 /nfs/dbraw/zinc/35/72/89/603357289.db2.gz LPAZNGNERQYYND-CYBMUJFWSA-N -1 0 355.439 -0.160 20 0 FBADRM CNC(=O)[C@H]1CCCN(C(=O)NCCCN2CCN(C(=O)[O-])CC2)C1 ZINC000739738235 603357457 /nfs/dbraw/zinc/35/74/57/603357457.db2.gz LPAZNGNERQYYND-ZDUSSCGKSA-N -1 0 355.439 -0.160 20 0 FBADRM CNC(=O)COc1ccc(NC(=O)C(=O)N(C)[C@@H](C)CNC(=O)[O-])cc1 ZINC000739738372 602642739 /nfs/dbraw/zinc/64/27/39/602642739.db2.gz DZOGGDLVSBGLRG-JTQLQIEISA-N -1 0 366.374 -0.136 20 0 FBADRM CNC(=O)COc1ccc(NC(=O)C(=O)N(C)[C@H](C)CNC(=O)[O-])cc1 ZINC000739738375 602642931 /nfs/dbraw/zinc/64/29/31/602642931.db2.gz DZOGGDLVSBGLRG-SNVBAGLBSA-N -1 0 366.374 -0.136 20 0 FBADRM CNC(=O)CN1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC000739738388 596959341 /nfs/dbraw/zinc/95/93/41/596959341.db2.gz FBKGCIQFRDTSED-HNNXBMFYSA-N -1 0 373.413 -0.404 20 0 FBADRM CNC(=O)CN1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CC1 ZINC000739738390 596959501 /nfs/dbraw/zinc/95/95/01/596959501.db2.gz FBKGCIQFRDTSED-OAHLLOKOSA-N -1 0 373.413 -0.404 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)c2csc(CNC(=O)[O-])n2)CC1 ZINC000739738486 602698082 /nfs/dbraw/zinc/69/80/82/602698082.db2.gz GXIWYJMDLZHNSS-UHFFFAOYSA-N -1 0 355.420 -0.149 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CC1 ZINC000739738820 603134166 /nfs/dbraw/zinc/13/41/66/603134166.db2.gz HNOFBAUPNZADCL-UHFFFAOYSA-N -1 0 369.466 -0.613 20 0 FBADRM CNC(=O)COc1ccc(NC(=O)C(=O)NCCN(C)C(=O)[O-])cc1 ZINC000739738833 602766973 /nfs/dbraw/zinc/76/69/73/602766973.db2.gz HOSXQFMKBGVAEG-UHFFFAOYSA-N -1 0 352.347 -0.524 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](CCSC)NC(=O)[O-] ZINC000739738890 602496746 /nfs/dbraw/zinc/49/67/46/602496746.db2.gz PLHRGXXBUJHPGI-NXEZZACHSA-N -1 0 360.436 -0.771 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCSC)NC(=O)[O-] ZINC000739738892 602496649 /nfs/dbraw/zinc/49/66/49/602496649.db2.gz PLHRGXXBUJHPGI-UWVGGRQHSA-N -1 0 360.436 -0.771 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](CCSC)NC(=O)[O-] ZINC000739738897 602496735 /nfs/dbraw/zinc/49/67/35/602496735.db2.gz PLHRGXXBUJHPGI-VHSXEESVSA-N -1 0 360.436 -0.771 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](CCSC)NC(=O)[O-] ZINC000739738898 602496622 /nfs/dbraw/zinc/49/66/22/602496622.db2.gz PLHRGXXBUJHPGI-ZJUUUORDSA-N -1 0 360.436 -0.771 20 0 FBADRM O=C([O-])CCOc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000739739009 600655725 /nfs/dbraw/zinc/65/57/25/600655725.db2.gz CHUQRGMCDLEYEY-UHFFFAOYSA-N -1 0 370.383 -0.264 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739739085 661793537 /nfs/dbraw/zinc/79/35/37/661793537.db2.gz QICVGXRUAWHIIT-SRVKXCTJSA-N -1 0 354.407 -0.334 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739739090 661793470 /nfs/dbraw/zinc/79/34/70/661793470.db2.gz QICVGXRUAWHIIT-TUAOUCFPSA-N -1 0 354.407 -0.334 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739739096 661793546 /nfs/dbraw/zinc/79/35/46/661793546.db2.gz QICVGXRUAWHIIT-UTUOFQBUSA-N -1 0 354.407 -0.334 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739739102 661793544 /nfs/dbraw/zinc/79/35/44/661793544.db2.gz QICVGXRUAWHIIT-WOPDTQHZSA-N -1 0 354.407 -0.334 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000739739224 603393228 /nfs/dbraw/zinc/39/32/28/603393228.db2.gz INZPTVLYPDGZKG-CYBMUJFWSA-N -1 0 356.423 -0.528 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000739739232 603393197 /nfs/dbraw/zinc/39/31/97/603393197.db2.gz INZPTVLYPDGZKG-ZDUSSCGKSA-N -1 0 356.423 -0.528 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739739303 602468975 /nfs/dbraw/zinc/46/89/75/602468975.db2.gz RGYQPYONHKFXCU-GFCCVEGCSA-N -1 0 350.379 -0.056 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739739305 602468905 /nfs/dbraw/zinc/46/89/05/602468905.db2.gz RGYQPYONHKFXCU-LBPRGKRZSA-N -1 0 350.379 -0.056 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N2CCC[C@H](CNC(=O)[O-])C2)CC1 ZINC000739739333 602090732 /nfs/dbraw/zinc/09/07/32/602090732.db2.gz IYTFSJKTIPICEG-GFCCVEGCSA-N -1 0 355.439 -0.114 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)CC1 ZINC000739739339 602090679 /nfs/dbraw/zinc/09/06/79/602090679.db2.gz IYTFSJKTIPICEG-LBPRGKRZSA-N -1 0 355.439 -0.114 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739739376 602699652 /nfs/dbraw/zinc/69/96/52/602699652.db2.gz JKDSXDQTGDOXJO-GFCCVEGCSA-N -1 0 355.439 -0.114 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739739378 602699533 /nfs/dbraw/zinc/69/95/33/602699533.db2.gz JKDSXDQTGDOXJO-LBPRGKRZSA-N -1 0 355.439 -0.114 20 0 FBADRM CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000739739494 604565757 /nfs/dbraw/zinc/56/57/57/604565757.db2.gz KIQWVSRRDZTALY-LLVKDONJSA-N -1 0 364.358 -0.382 20 0 FBADRM CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000739739496 605117210 /nfs/dbraw/zinc/11/72/10/605117210.db2.gz KIQWVSRRDZTALY-NSHDSACASA-N -1 0 364.358 -0.382 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(NC(=O)[O-])cc1O ZINC000739739519 602858737 /nfs/dbraw/zinc/85/87/37/602858737.db2.gz SXZYWWRZZFUIPD-LLVKDONJSA-N -1 0 364.358 -0.051 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(NC(=O)[O-])cc1O ZINC000739739520 602858857 /nfs/dbraw/zinc/85/88/57/602858857.db2.gz SXZYWWRZZFUIPD-NSHDSACASA-N -1 0 364.358 -0.051 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)C(=O)NCCN(C)C(=O)[O-])c2ccccc2O1 ZINC000739739566 602767001 /nfs/dbraw/zinc/76/70/01/602767001.db2.gz FXICDHVDCSOANC-GFCCVEGCSA-N -1 0 364.358 -0.747 20 0 FBADRM CNC(=O)CNC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[O-] ZINC000739739567 602492985 /nfs/dbraw/zinc/49/29/85/602492985.db2.gz LWFQIGIFMXSLGE-AWEZNQCLSA-N -1 0 359.386 -0.028 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCN(C)C(=O)[O-])c2ccccc2O1 ZINC000739739572 602767060 /nfs/dbraw/zinc/76/70/60/602767060.db2.gz FXICDHVDCSOANC-LBPRGKRZSA-N -1 0 364.358 -0.747 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000739739654 602090580 /nfs/dbraw/zinc/09/05/80/602090580.db2.gz MUGWHZVWUFXEGJ-GFCCVEGCSA-N -1 0 355.439 -0.114 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000739739659 602090911 /nfs/dbraw/zinc/09/09/11/602090911.db2.gz MUGWHZVWUFXEGJ-LBPRGKRZSA-N -1 0 355.439 -0.114 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)CC1 ZINC000739739857 602616460 /nfs/dbraw/zinc/61/64/60/602616460.db2.gz NPQMXHXVXYQDHS-GFCCVEGCSA-N -1 0 355.439 -0.162 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)CC1 ZINC000739739863 602616532 /nfs/dbraw/zinc/61/65/32/602616532.db2.gz NPQMXHXVXYQDHS-LBPRGKRZSA-N -1 0 355.439 -0.162 20 0 FBADRM CNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000739740247 602646644 /nfs/dbraw/zinc/64/66/44/602646644.db2.gz PIHGXMWXYYQWBZ-LLVKDONJSA-N -1 0 364.358 -0.382 20 0 FBADRM CNC(=O)COc1ccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000739740250 602646672 /nfs/dbraw/zinc/64/66/72/602646672.db2.gz PIHGXMWXYYQWBZ-NSHDSACASA-N -1 0 364.358 -0.382 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000739740368 603134244 /nfs/dbraw/zinc/13/42/44/603134244.db2.gz RAKLTRSHOWGOPL-GWCFXTLKSA-N -1 0 356.423 -0.184 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000739740371 603134189 /nfs/dbraw/zinc/13/41/89/603134189.db2.gz RAKLTRSHOWGOPL-GXFFZTMASA-N -1 0 356.423 -0.184 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000739740375 603134067 /nfs/dbraw/zinc/13/40/67/603134067.db2.gz RAKLTRSHOWGOPL-MFKMUULPSA-N -1 0 356.423 -0.184 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000739740377 603134047 /nfs/dbraw/zinc/13/40/47/603134047.db2.gz RAKLTRSHOWGOPL-ZWNOBZJWSA-N -1 0 356.423 -0.184 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N2C[C@H](C)N(C(=O)[O-])[C@@H](C)C2)CC1 ZINC000739740393 602888842 /nfs/dbraw/zinc/88/88/42/602888842.db2.gz REWARTQLDKSGKM-RYUDHWBXSA-N -1 0 355.439 -0.021 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)CC1 ZINC000739740397 602889003 /nfs/dbraw/zinc/88/90/03/602889003.db2.gz REWARTQLDKSGKM-TXEJJXNPSA-N -1 0 355.439 -0.021 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N2C[C@@H](C)N(C(=O)[O-])[C@H](C)C2)CC1 ZINC000739740400 602889078 /nfs/dbraw/zinc/88/90/78/602889078.db2.gz REWARTQLDKSGKM-VXGBXAGGSA-N -1 0 355.439 -0.021 20 0 FBADRM O=C([O-])CCOc1ccc(S(=O)(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000739740587 600651605 /nfs/dbraw/zinc/65/16/05/600651605.db2.gz XQTXKOJUROJYIN-UHFFFAOYSA-N -1 0 371.371 -0.630 20 0 FBADRM CN1CCO[C@H](CNC(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)C1 ZINC000739741031 602028774 /nfs/dbraw/zinc/02/87/74/602028774.db2.gz BVDYAOXXPRQQKH-GFCCVEGCSA-N -1 0 352.395 -0.347 20 0 FBADRM CN1CCO[C@@H](CNC(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)C1 ZINC000739741036 602028569 /nfs/dbraw/zinc/02/85/69/602028569.db2.gz BVDYAOXXPRQQKH-LBPRGKRZSA-N -1 0 352.395 -0.347 20 0 FBADRM CNC(=O)CN1CCN(C(=O)C2(NC(=O)[O-])Cc3ccccc3C2)CC1 ZINC000739741094 603117772 /nfs/dbraw/zinc/11/77/72/603117772.db2.gz XOGPJBGDEATNCF-UHFFFAOYSA-N -1 0 360.414 -0.318 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)NCC2CCN(C(=O)[O-])CC2)CC1 ZINC000739741214 602090695 /nfs/dbraw/zinc/09/06/95/602090695.db2.gz ZYNBMPDYTIVTDI-UHFFFAOYSA-N -1 0 355.439 -0.114 20 0 FBADRM O=C([O-])CCNC(=O)c1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1 ZINC000739741494 599766679 /nfs/dbraw/zinc/76/66/79/599766679.db2.gz NHNYGRPPSCHKAX-UHFFFAOYSA-N -1 0 360.326 -0.208 20 0 FBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1cccc(OCCNC(=O)[O-])c1 ZINC000739741574 602291771 /nfs/dbraw/zinc/29/17/71/602291771.db2.gz SAXBZDBYAUVVMI-UHFFFAOYSA-N -1 0 352.347 -0.524 20 0 FBADRM O=C([O-])CCNC(=O)c1ccc(NC(=O)C(=O)NCC2(O)CCC2)cc1 ZINC000739742048 600339941 /nfs/dbraw/zinc/33/99/41/600339941.db2.gz SNOATZPHUAVOEB-UHFFFAOYSA-N -1 0 363.370 -0.139 20 0 FBADRM O=C([O-])CCNC(=O)c1ccc(NC(=O)CCn2cc[nH]c(=O)c2=O)cc1 ZINC000739742573 600577487 /nfs/dbraw/zinc/57/74/87/600577487.db2.gz XWRXYUHNLCCRHZ-UHFFFAOYSA-N -1 0 374.353 -0.230 20 0 FBADRM O=C([O-])CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)C2CC2)cc1 ZINC000739742597 600551638 /nfs/dbraw/zinc/55/16/38/600551638.db2.gz ZLCMDULDVRZZOA-CYBMUJFWSA-N -1 0 363.370 -0.283 20 0 FBADRM O=C([O-])CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](CO)C2CC2)cc1 ZINC000739742599 600551864 /nfs/dbraw/zinc/55/18/64/600551864.db2.gz ZLCMDULDVRZZOA-ZDUSSCGKSA-N -1 0 363.370 -0.283 20 0 FBADRM CNC(=O)C1(C(=O)N2CCC[C@@H](C(=O)N3CCN(C(=O)[O-])CC3)C2)CC1 ZINC000739743368 602674234 /nfs/dbraw/zinc/67/42/34/602674234.db2.gz OQOYWQOCPRXVRR-GFCCVEGCSA-N -1 0 366.418 -0.427 20 0 FBADRM CNC(=O)C1(C(=O)N2CCC[C@H](C(=O)N3CCN(C(=O)[O-])CC3)C2)CC1 ZINC000739743372 602674335 /nfs/dbraw/zinc/67/43/35/602674335.db2.gz OQOYWQOCPRXVRR-LBPRGKRZSA-N -1 0 366.418 -0.427 20 0 FBADRM O=C([O-])CCSCCNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000739743604 600255640 /nfs/dbraw/zinc/25/56/40/600255640.db2.gz SOJJLVJMIYMTHE-UHFFFAOYSA-N -1 0 359.429 -0.192 20 0 FBADRM O=C([O-])CCSCCNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000739743788 600255466 /nfs/dbraw/zinc/25/54/66/600255466.db2.gz WCRLNQKZRCHKSZ-UHFFFAOYSA-N -1 0 359.429 -0.192 20 0 FBADRM CN1CCc2nc(NC(=O)CN3CCN(C(=O)[O-])CC3=O)sc2C1 ZINC000739744926 603019546 /nfs/dbraw/zinc/01/95/46/603019546.db2.gz UDWHKZJZHCHCPB-UHFFFAOYSA-N -1 0 353.404 -0.108 20 0 FBADRM CNC(=O)c1cc(OC)ccc1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739744966 602999799 /nfs/dbraw/zinc/99/97/99/602999799.db2.gz LPUSEOIUWAYNBU-UHFFFAOYSA-N -1 0 364.358 -0.185 20 0 FBADRM CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)c1 ZINC000739745242 605117126 /nfs/dbraw/zinc/11/71/26/605117126.db2.gz DOOFIYHOIADLFX-JTQLQIEISA-N -1 0 364.358 -0.138 20 0 FBADRM CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000739745243 604572000 /nfs/dbraw/zinc/57/20/00/604572000.db2.gz DOOFIYHOIADLFX-SNVBAGLBSA-N -1 0 364.358 -0.138 20 0 FBADRM CNC(=O)C1(C(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)CCC1 ZINC000739745440 602674388 /nfs/dbraw/zinc/67/43/88/602674388.db2.gz VZKPUCFQNDIDTA-LLVKDONJSA-N -1 0 354.407 -0.475 20 0 FBADRM CNC(=O)C1(C(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)CCC1 ZINC000739745441 602674219 /nfs/dbraw/zinc/67/42/19/602674219.db2.gz VZKPUCFQNDIDTA-NSHDSACASA-N -1 0 354.407 -0.475 20 0 FBADRM CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NCCN(C)C(=O)[O-])c1 ZINC000739745735 602771624 /nfs/dbraw/zinc/77/16/24/602771624.db2.gz GFSXRNGGZMYPOT-UHFFFAOYSA-N -1 0 352.347 -0.281 20 0 FBADRM CN1CCO[C@H](CNC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)C1 ZINC000739745914 602638680 /nfs/dbraw/zinc/63/86/80/602638680.db2.gz YHIDWLOPJWEKJK-CHWSQXEVSA-N -1 0 371.438 -0.878 20 0 FBADRM CN1CCO[C@@H](CNC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)C1 ZINC000739745916 602638456 /nfs/dbraw/zinc/63/84/56/602638456.db2.gz YHIDWLOPJWEKJK-OLZOCXBDSA-N -1 0 371.438 -0.878 20 0 FBADRM CN1CCO[C@H](CNC(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)C1 ZINC000739745920 602638618 /nfs/dbraw/zinc/63/86/18/602638618.db2.gz YHIDWLOPJWEKJK-QWHCGFSZSA-N -1 0 371.438 -0.878 20 0 FBADRM CN1CCO[C@@H](CNC(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)C1 ZINC000739745923 602638429 /nfs/dbraw/zinc/63/84/29/602638429.db2.gz YHIDWLOPJWEKJK-STQMWFEESA-N -1 0 371.438 -0.878 20 0 FBADRM CNC(=O)c1cccc(CCNC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000739746252 603008964 /nfs/dbraw/zinc/00/89/64/603008964.db2.gz JCDWSIVDQGDLMT-UHFFFAOYSA-N -1 0 362.386 -0.473 20 0 FBADRM CNC(=O)c1cccc(C(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)c1 ZINC000739746367 602858410 /nfs/dbraw/zinc/85/84/10/602858410.db2.gz LBVCAZGAISSJFK-UHFFFAOYSA-N -1 0 362.386 -0.060 20 0 FBADRM CNC(=O)c1ccc(C(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)cn1 ZINC000739746595 602296980 /nfs/dbraw/zinc/29/69/80/602296980.db2.gz VDBFKYLCJFCQSA-UHFFFAOYSA-N -1 0 363.374 -0.665 20 0 FBADRM CNC(=O)c1ccc(CN(C)C(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000739746980 602986077 /nfs/dbraw/zinc/98/60/77/602986077.db2.gz XXSHOXQPIJYAIQ-UHFFFAOYSA-N -1 0 362.386 -0.173 20 0 FBADRM CNC(=O)c1ccc(OC)c(NC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000739747531 602992971 /nfs/dbraw/zinc/99/29/71/602992971.db2.gz UXZMAZRSGXENGP-UHFFFAOYSA-N -1 0 364.358 -0.185 20 0 FBADRM CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NCCCNC(=O)[O-])c1 ZINC000739747661 602426776 /nfs/dbraw/zinc/42/67/76/602426776.db2.gz YDORBOSWPSMUNZ-UHFFFAOYSA-N -1 0 352.347 -0.233 20 0 FBADRM CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000739747777 602646627 /nfs/dbraw/zinc/64/66/27/602646627.db2.gz YTRMGUULLXNOIZ-JTQLQIEISA-N -1 0 364.358 -0.138 20 0 FBADRM CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000739747781 602646573 /nfs/dbraw/zinc/64/65/73/602646573.db2.gz YTRMGUULLXNOIZ-SNVBAGLBSA-N -1 0 364.358 -0.138 20 0 FBADRM CNC(=O)Cn1cnc(NC(=O)C2(NC(=O)[O-])Cc3ccccc3C2)n1 ZINC000739747912 602813891 /nfs/dbraw/zinc/81/38/91/602813891.db2.gz DWRSUGKFWKNRKE-UHFFFAOYSA-N -1 0 358.358 -0.232 20 0 FBADRM CNC(=O)NC(=O)COC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739747913 602042089 /nfs/dbraw/zinc/04/20/89/602042089.db2.gz DZAZUUITZKHZTR-UHFFFAOYSA-N -1 0 354.323 -0.795 20 0 FBADRM CNC(=O)NC(=O)COC(=O)c1nnn(C2CCN(C(=O)[O-])CC2)c1C ZINC000739747993 602128788 /nfs/dbraw/zinc/12/87/88/602128788.db2.gz GKEYTNMXIHUMQT-UHFFFAOYSA-N -1 0 368.350 -0.486 20 0 FBADRM CNC(=O)Cn1cc(NC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)cn1 ZINC000739748106 603170923 /nfs/dbraw/zinc/17/09/23/603170923.db2.gz HITUBZCMZBSKLV-UHFFFAOYSA-N -1 0 352.395 -0.358 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)NCCCNC(=O)[O-])cc1 ZINC000739748117 602388972 /nfs/dbraw/zinc/38/89/72/602388972.db2.gz AHKHWRRXVXBPRC-UHFFFAOYSA-N -1 0 351.406 -0.469 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)CN(CCOC)C(=O)[O-])c1 ZINC000739748131 603106680 /nfs/dbraw/zinc/10/66/80/603106680.db2.gz AJGDWXMOZMJXJW-UHFFFAOYSA-N -1 0 359.404 -0.163 20 0 FBADRM CNC(=O)Cn1cnc(NC(=O)[C@H](NC(=O)[O-])c2ccccc2OC)n1 ZINC000739748187 602813754 /nfs/dbraw/zinc/81/37/54/602813754.db2.gz INFRCMPHRREQQJ-GFCCVEGCSA-N -1 0 362.346 -0.020 20 0 FBADRM CNC(=O)Cn1cnc(NC(=O)[C@@H](NC(=O)[O-])c2ccccc2OC)n1 ZINC000739748190 602813858 /nfs/dbraw/zinc/81/38/58/602813858.db2.gz INFRCMPHRREQQJ-LBPRGKRZSA-N -1 0 362.346 -0.020 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)[C@H]2COCCN2C(=O)[O-])c1 ZINC000739748212 602843034 /nfs/dbraw/zinc/84/30/34/602843034.db2.gz AXOSVDSTTZLKPO-GFCCVEGCSA-N -1 0 357.388 -0.410 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)[C@@H]2COCCN2C(=O)[O-])c1 ZINC000739748219 602843174 /nfs/dbraw/zinc/84/31/74/602843174.db2.gz AXOSVDSTTZLKPO-LBPRGKRZSA-N -1 0 357.388 -0.410 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C2(OC)CCN(C(=O)[O-])CC2)C1 ZINC000739748473 602855227 /nfs/dbraw/zinc/85/52/27/602855227.db2.gz CKZYPCUPYKRKRU-LLVKDONJSA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)C2(OC)CCN(C(=O)[O-])CC2)C1 ZINC000739748474 602855156 /nfs/dbraw/zinc/85/51/56/602855156.db2.gz CKZYPCUPYKRKRU-NSHDSACASA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CCCNC(=O)[O-])cc1 ZINC000739748656 603262096 /nfs/dbraw/zinc/26/20/96/603262096.db2.gz CPESWXCXLOAQHU-UHFFFAOYSA-N -1 0 365.433 -0.127 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)NC(C)(C)CNC(=O)[O-])c1 ZINC000739748678 602318412 /nfs/dbraw/zinc/31/84/12/602318412.db2.gz CSRRRBQTCOPUCT-UHFFFAOYSA-N -1 0 365.433 -0.081 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@H](C)CNC(=O)[O-])c1 ZINC000739748836 602565893 /nfs/dbraw/zinc/56/58/93/602565893.db2.gz FQBXUZRBDYYKQQ-SECBINFHSA-N -1 0 365.433 -0.129 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@@H](C)CNC(=O)[O-])c1 ZINC000739748840 602566071 /nfs/dbraw/zinc/56/60/71/602566071.db2.gz FQBXUZRBDYYKQQ-VIFPVBQESA-N -1 0 365.433 -0.129 20 0 FBADRM CNC(=O)Cn1cnc(NC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)n1 ZINC000739748863 602813761 /nfs/dbraw/zinc/81/37/61/602813761.db2.gz MFVPBGBQZKOBIF-UHFFFAOYSA-N -1 0 353.383 -0.963 20 0 FBADRM CNC(=O)c1cncc(/C=C\C(=O)NCCN2CCN(C(=O)[O-])CC2)c1 ZINC000739749004 602493083 /nfs/dbraw/zinc/49/30/83/602493083.db2.gz DBCARMXTUYPSMD-IHWYPQMZSA-N -1 0 361.402 -0.134 20 0 FBADRM CNC(=O)c1cncc(/C=C/C(=O)NCCN2CCN(C(=O)[O-])CC2)c1 ZINC000739749005 602492936 /nfs/dbraw/zinc/49/29/36/602492936.db2.gz DBCARMXTUYPSMD-NSCUHMNNSA-N -1 0 361.402 -0.134 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000739749025 603063924 /nfs/dbraw/zinc/06/39/24/603063924.db2.gz DRSLSTCTWPHISD-CHWSQXEVSA-N -1 0 371.415 -0.535 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000739749026 603063959 /nfs/dbraw/zinc/06/39/59/603063959.db2.gz DRSLSTCTWPHISD-OLZOCXBDSA-N -1 0 371.415 -0.535 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000739749027 603063877 /nfs/dbraw/zinc/06/38/77/603063877.db2.gz DRSLSTCTWPHISD-QWHCGFSZSA-N -1 0 371.415 -0.535 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000739749028 603064227 /nfs/dbraw/zinc/06/42/27/603064227.db2.gz DRSLSTCTWPHISD-STQMWFEESA-N -1 0 371.415 -0.535 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)NCCCNC(=O)[O-])c1 ZINC000739749216 602387764 /nfs/dbraw/zinc/38/77/64/602387764.db2.gz HAXOQNRROBLTLE-UHFFFAOYSA-N -1 0 351.406 -0.469 20 0 FBADRM CNS(=O)(=O)c1ccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000739749283 603013934 /nfs/dbraw/zinc/01/39/34/603013934.db2.gz HVUNQVLZTIWLTF-UHFFFAOYSA-N -1 0 370.387 -0.645 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000739749307 602451727 /nfs/dbraw/zinc/45/17/27/602451727.db2.gz ICNCKIQJMDUEFB-SECBINFHSA-N -1 0 363.417 -0.375 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000739749312 602451766 /nfs/dbraw/zinc/45/17/66/602451766.db2.gz ICNCKIQJMDUEFB-VIFPVBQESA-N -1 0 363.417 -0.375 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCCNC(=O)[O-])c1 ZINC000739749372 602442313 /nfs/dbraw/zinc/44/23/13/602442313.db2.gz INAJPTHUCCNAPK-UHFFFAOYSA-N -1 0 373.391 -0.900 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)CNC(=O)[O-])cc1 ZINC000739749399 602318258 /nfs/dbraw/zinc/31/82/58/602318258.db2.gz IUAIABVHDFSILM-UHFFFAOYSA-N -1 0 365.433 -0.081 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)NCCN(C)C(=O)[O-])c1 ZINC000739749454 602317593 /nfs/dbraw/zinc/31/75/93/602317593.db2.gz JBYXMPYXUQYNJF-UHFFFAOYSA-N -1 0 351.406 -0.517 20 0 FBADRM CNC(=O)Cn1cnc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)n1 ZINC000739749460 597124700 /nfs/dbraw/zinc/12/47/00/597124700.db2.gz OSVAHCNFRWQOJH-GFCCVEGCSA-N -1 0 371.357 -0.318 20 0 FBADRM CNC(=O)Cn1cnc(NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)n1 ZINC000739749466 597124954 /nfs/dbraw/zinc/12/49/54/597124954.db2.gz OSVAHCNFRWQOJH-LBPRGKRZSA-N -1 0 371.357 -0.318 20 0 FBADRM CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H](C)NC(=O)[O-])CC1 ZINC000739749515 602156143 /nfs/dbraw/zinc/15/61/43/602156143.db2.gz JMYWCUKGRGAFEX-LLVKDONJSA-N -1 0 370.431 -0.101 20 0 FBADRM CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H](C)NC(=O)[O-])CC1 ZINC000739749520 602156332 /nfs/dbraw/zinc/15/63/32/602156332.db2.gz JMYWCUKGRGAFEX-NSHDSACASA-N -1 0 370.431 -0.101 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)CCCNC(=O)[O-])c1 ZINC000739749526 603262600 /nfs/dbraw/zinc/26/26/00/603262600.db2.gz JPXMWRDWACULPE-UHFFFAOYSA-N -1 0 365.433 -0.127 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])C1 ZINC000739749724 602905565 /nfs/dbraw/zinc/90/55/65/602905565.db2.gz KFLOZMQNLJEXGC-NEPJUHHUSA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])C1 ZINC000739749727 602905616 /nfs/dbraw/zinc/90/56/16/602905616.db2.gz KFLOZMQNLJEXGC-NWDGAFQWSA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])C1 ZINC000739749731 602905537 /nfs/dbraw/zinc/90/55/37/602905537.db2.gz KFLOZMQNLJEXGC-RYUDHWBXSA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])C1 ZINC000739749733 602905450 /nfs/dbraw/zinc/90/54/50/602905450.db2.gz KFLOZMQNLJEXGC-VXGBXAGGSA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[O-])c1 ZINC000739749836 602676514 /nfs/dbraw/zinc/67/65/14/602676514.db2.gz JYDMNSTYUXXONR-BDAKNGLRSA-N -1 0 372.403 -0.306 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[O-])c1 ZINC000739749838 602676537 /nfs/dbraw/zinc/67/65/37/602676537.db2.gz JYDMNSTYUXXONR-DTWKUNHWSA-N -1 0 372.403 -0.306 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[O-])c1 ZINC000739749839 602676629 /nfs/dbraw/zinc/67/66/29/602676629.db2.gz JYDMNSTYUXXONR-IUCAKERBSA-N -1 0 372.403 -0.306 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[O-])c1 ZINC000739749841 602676512 /nfs/dbraw/zinc/67/65/12/602676512.db2.gz JYDMNSTYUXXONR-RKDXNWHRSA-N -1 0 372.403 -0.306 20 0 FBADRM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)COCCNC(=O)[O-])CC2 ZINC000739749900 603294705 /nfs/dbraw/zinc/29/47/05/603294705.db2.gz KTUAIHITODZJMI-UHFFFAOYSA-N -1 0 357.388 -0.232 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000739749903 603067671 /nfs/dbraw/zinc/06/76/71/603067671.db2.gz KTUPWXSZHPVSFB-CMPLNLGQSA-N -1 0 357.388 -0.676 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000739749906 603068243 /nfs/dbraw/zinc/06/82/43/603068243.db2.gz KTUPWXSZHPVSFB-JQWIXIFHSA-N -1 0 357.388 -0.676 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000739749909 603068036 /nfs/dbraw/zinc/06/80/36/603068036.db2.gz KTUPWXSZHPVSFB-PWSUYJOCSA-N -1 0 357.388 -0.676 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000739749912 603068060 /nfs/dbraw/zinc/06/80/60/603068060.db2.gz KTUPWXSZHPVSFB-ZYHUDNBSSA-N -1 0 357.388 -0.676 20 0 FBADRM CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COCCNC(=O)[O-] ZINC000739749948 602663548 /nfs/dbraw/zinc/66/35/48/602663548.db2.gz LXKGLIOFMNQFKX-UHFFFAOYSA-N -1 0 357.388 -0.232 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)CNC(=O)[O-])cc1 ZINC000739749971 602566643 /nfs/dbraw/zinc/56/66/43/602566643.db2.gz MHTFGSYZZFLXDJ-SECBINFHSA-N -1 0 365.433 -0.129 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)CNC(=O)[O-])cc1 ZINC000739749979 602566558 /nfs/dbraw/zinc/56/65/58/602566558.db2.gz MHTFGSYZZFLXDJ-VIFPVBQESA-N -1 0 365.433 -0.129 20 0 FBADRM CNS(=O)(=O)C1CCN(C(=O)[C@H](CCSC)NC(=O)[O-])CC1 ZINC000739750079 602517942 /nfs/dbraw/zinc/51/79/42/602517942.db2.gz LMCQOXDBPPWGJY-JTQLQIEISA-N -1 0 353.466 -0.084 20 0 FBADRM CNS(=O)(=O)C1CCN(C(=O)[C@@H](CCSC)NC(=O)[O-])CC1 ZINC000739750081 602517969 /nfs/dbraw/zinc/51/79/69/602517969.db2.gz LMCQOXDBPPWGJY-SNVBAGLBSA-N -1 0 353.466 -0.084 20 0 FBADRM CNS(=O)(=O)C1CCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000739750084 602899967 /nfs/dbraw/zinc/89/99/67/602899967.db2.gz LMFIPXKZWBOYHH-LLVKDONJSA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)C1CCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000739750086 602899810 /nfs/dbraw/zinc/89/98/10/602899810.db2.gz LMFIPXKZWBOYHH-NSHDSACASA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000739750090 602568153 /nfs/dbraw/zinc/56/81/53/602568153.db2.gz NFIPIYRYEUAWDD-SECBINFHSA-N -1 0 363.417 -0.375 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000739750095 602568352 /nfs/dbraw/zinc/56/83/52/602568352.db2.gz NFIPIYRYEUAWDD-VIFPVBQESA-N -1 0 363.417 -0.375 20 0 FBADRM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1COCCN1C(=O)[O-])CC2 ZINC000739750449 602920580 /nfs/dbraw/zinc/92/05/80/602920580.db2.gz NXAUMTRFTFQQLM-CYBMUJFWSA-N -1 0 369.399 -0.137 20 0 FBADRM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1COCCN1C(=O)[O-])CC2 ZINC000739750450 602920545 /nfs/dbraw/zinc/92/05/45/602920545.db2.gz NXAUMTRFTFQQLM-ZDUSSCGKSA-N -1 0 369.399 -0.137 20 0 FBADRM CNC(=O)NC(=O)[C@@H](C)OC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739750685 602042276 /nfs/dbraw/zinc/04/22/76/602042276.db2.gz WMJSGFTXHXDZLD-MRVPVSSYSA-N -1 0 368.350 -0.406 20 0 FBADRM CNC(=O)NC(=O)[C@H](C)OC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739750688 602042234 /nfs/dbraw/zinc/04/22/34/602042234.db2.gz WMJSGFTXHXDZLD-QMMMGPOBSA-N -1 0 368.350 -0.406 20 0 FBADRM CNS(=O)(=O)C1CCN(C(=O)C2(OC)CCN(C(=O)[O-])CC2)CC1 ZINC000739750723 602518250 /nfs/dbraw/zinc/51/82/50/602518250.db2.gz PKTGPBIFAADNQN-UHFFFAOYSA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)NCCN(C)C(=O)[O-])cc1 ZINC000739750985 602317413 /nfs/dbraw/zinc/31/74/13/602317413.db2.gz VBAACMHQMTYFJZ-UHFFFAOYSA-N -1 0 351.406 -0.517 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@H](C)NC(=O)[O-])c1 ZINC000739750997 602511019 /nfs/dbraw/zinc/51/10/19/602511019.db2.gz VHBMWZSNHAJQTG-MRVPVSSYSA-N -1 0 358.376 -0.695 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@H](C)NC(=O)[O-])c1 ZINC000739750998 602511033 /nfs/dbraw/zinc/51/10/33/602511033.db2.gz VHBMWZSNHAJQTG-QMMMGPOBSA-N -1 0 358.376 -0.695 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000739751026 602568278 /nfs/dbraw/zinc/56/82/78/602568278.db2.gz WOTBLCCDHNOIKB-SECBINFHSA-N -1 0 363.417 -0.375 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000739751028 602568163 /nfs/dbraw/zinc/56/81/63/602568163.db2.gz WOTBLCCDHNOIKB-VIFPVBQESA-N -1 0 363.417 -0.375 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCN(C)C(=O)[O-])ccc1C ZINC000739751177 602769327 /nfs/dbraw/zinc/76/93/27/602769327.db2.gz QYZMHNNFVMNHPK-UHFFFAOYSA-N -1 0 372.403 -0.432 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])ccc1C ZINC000739751222 603189332 /nfs/dbraw/zinc/18/93/32/603189332.db2.gz RZAOJLUBFCRXON-GHMZBOCLSA-N -1 0 357.388 -0.045 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])ccc1C ZINC000739751225 603189195 /nfs/dbraw/zinc/18/91/95/603189195.db2.gz RZAOJLUBFCRXON-MNOVXSKESA-N -1 0 357.388 -0.045 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])ccc1C ZINC000739751227 603189255 /nfs/dbraw/zinc/18/92/55/603189255.db2.gz RZAOJLUBFCRXON-QWRGUYRKSA-N -1 0 357.388 -0.045 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])ccc1C ZINC000739751229 603189197 /nfs/dbraw/zinc/18/91/97/603189197.db2.gz RZAOJLUBFCRXON-WDEREUQCSA-N -1 0 357.388 -0.045 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCCNC(=O)[O-])ccc1C ZINC000739751279 602426834 /nfs/dbraw/zinc/42/68/34/602426834.db2.gz SZKADVXYCUHLII-UHFFFAOYSA-N -1 0 372.403 -0.384 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000739751409 602452996 /nfs/dbraw/zinc/45/29/96/602452996.db2.gz XCTBTEQLUNZQHU-SECBINFHSA-N -1 0 363.417 -0.375 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](NC(=O)[O-])C2)c1 ZINC000739751411 602452908 /nfs/dbraw/zinc/45/29/08/602452908.db2.gz XCTBTEQLUNZQHU-VIFPVBQESA-N -1 0 363.417 -0.375 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2COCCN2C(=O)[O-])cc1 ZINC000739751753 602831806 /nfs/dbraw/zinc/83/18/06/602831806.db2.gz XATOCHWUEVZWNZ-CYBMUJFWSA-N -1 0 371.415 -0.269 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2COCCN2C(=O)[O-])cc1 ZINC000739751754 602831888 /nfs/dbraw/zinc/83/18/88/602831888.db2.gz XATOCHWUEVZWNZ-ZDUSSCGKSA-N -1 0 371.415 -0.269 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H](CCSC)NC(=O)[O-])C1 ZINC000739752101 602855370 /nfs/dbraw/zinc/85/53/70/602855370.db2.gz ZPJOXMRZGMUNOQ-NXEZZACHSA-N -1 0 353.466 -0.084 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@H](CCSC)NC(=O)[O-])C1 ZINC000739752103 602855344 /nfs/dbraw/zinc/85/53/44/602855344.db2.gz ZPJOXMRZGMUNOQ-UWVGGRQHSA-N -1 0 353.466 -0.084 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H](CCSC)NC(=O)[O-])C1 ZINC000739752106 602855308 /nfs/dbraw/zinc/85/53/08/602855308.db2.gz ZPJOXMRZGMUNOQ-VHSXEESVSA-N -1 0 353.466 -0.084 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H](CCSC)NC(=O)[O-])C1 ZINC000739752108 602854995 /nfs/dbraw/zinc/85/49/95/602854995.db2.gz ZPJOXMRZGMUNOQ-ZJUUUORDSA-N -1 0 353.466 -0.084 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)COCCNC(=O)[O-])s1 ZINC000739752361 602659764 /nfs/dbraw/zinc/65/97/64/602659764.db2.gz LYUMWOFRFAOJHL-UHFFFAOYSA-N -1 0 351.406 -0.443 20 0 FBADRM O=C([O-])CCc1ccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)cc1 ZINC000739752565 600351081 /nfs/dbraw/zinc/35/10/81/600351081.db2.gz GZOCOCIHZUNZPF-UHFFFAOYSA-N -1 0 361.354 -0.093 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N(C)CCN2CCN(C(=O)[O-])CC2)o1 ZINC000739752594 602495897 /nfs/dbraw/zinc/49/58/97/602495897.db2.gz MLGGKEJZYCXFAK-UHFFFAOYSA-N -1 0 374.419 -0.445 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)CN(CCOC)C(=O)[O-])s1 ZINC000739752714 603105652 /nfs/dbraw/zinc/10/56/52/603105652.db2.gz NTSWWPNWCIWEMD-UHFFFAOYSA-N -1 0 365.433 -0.101 20 0 FBADRM O=C([O-])CCc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000739752951 600655583 /nfs/dbraw/zinc/65/55/83/600655583.db2.gz KZYOISZHSBOQRU-UHFFFAOYSA-N -1 0 354.384 -0.101 20 0 FBADRM O=C([O-])CCc1ccc(NC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000739753273 599876474 /nfs/dbraw/zinc/87/64/74/599876474.db2.gz RCSNTSXIJPQJIX-GFCCVEGCSA-N -1 0 354.384 -0.054 20 0 FBADRM O=C([O-])CCc1ccc(NC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000739753274 599876319 /nfs/dbraw/zinc/87/63/19/599876319.db2.gz RCSNTSXIJPQJIX-LBPRGKRZSA-N -1 0 354.384 -0.054 20 0 FBADRM O=C([O-])CCc1ccc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000739753648 600240513 /nfs/dbraw/zinc/24/05/13/600240513.db2.gz WEYSSBVHEOOCEV-UHFFFAOYSA-N -1 0 362.342 -0.690 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)[C@H]2COCCN2C(=O)[O-])s1 ZINC000739753713 602837255 /nfs/dbraw/zinc/83/72/55/602837255.db2.gz VZBIKLRJNMUNRU-SECBINFHSA-N -1 0 363.417 -0.349 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2COCCN2C(=O)[O-])s1 ZINC000739753718 602837483 /nfs/dbraw/zinc/83/74/83/602837483.db2.gz VZBIKLRJNMUNRU-VIFPVBQESA-N -1 0 363.417 -0.349 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)COC(=O)CN(C)C(=O)[O-])ccc1C ZINC000739753808 602206730 /nfs/dbraw/zinc/20/67/30/602206730.db2.gz XZJHSENYNPLOIO-UHFFFAOYSA-N -1 0 373.387 -0.005 20 0 FBADRM COC(=O)C1CCN(C(=O)COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000739754862 603149516 /nfs/dbraw/zinc/14/95/16/603149516.db2.gz AGTLYNYUIHUHRF-GHMZBOCLSA-N -1 0 358.347 -0.946 20 0 FBADRM COC(=O)C1CCN(C(=O)COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000739754863 603149346 /nfs/dbraw/zinc/14/93/46/603149346.db2.gz AGTLYNYUIHUHRF-MNOVXSKESA-N -1 0 358.347 -0.946 20 0 FBADRM COC(=O)C1CCN(C(=O)COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000739754864 603150171 /nfs/dbraw/zinc/15/01/71/603150171.db2.gz AGTLYNYUIHUHRF-QWRGUYRKSA-N -1 0 358.347 -0.946 20 0 FBADRM COC(=O)C1CCN(C(=O)COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000739754865 603150045 /nfs/dbraw/zinc/15/00/45/603150045.db2.gz AGTLYNYUIHUHRF-WDEREUQCSA-N -1 0 358.347 -0.946 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)NC[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000739755148 602787416 /nfs/dbraw/zinc/78/74/16/602787416.db2.gz FDMMRYRKVNBWCC-LLVKDONJSA-N -1 0 351.425 -0.002 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)NC[C@H](NC(=O)[O-])C(C)C)CC1 ZINC000739755149 602787503 /nfs/dbraw/zinc/78/75/03/602787503.db2.gz FDMMRYRKVNBWCC-NSHDSACASA-N -1 0 351.425 -0.002 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)NCCCNC(=O)[O-])c2ccccc2O1 ZINC000739755289 602426936 /nfs/dbraw/zinc/42/69/36/602426936.db2.gz FVCUPAVNUWWHOB-GFCCVEGCSA-N -1 0 365.342 -0.273 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NCCCNC(=O)[O-])c2ccccc2O1 ZINC000739755290 602426954 /nfs/dbraw/zinc/42/69/54/602426954.db2.gz FVCUPAVNUWWHOB-LBPRGKRZSA-N -1 0 365.342 -0.273 20 0 FBADRM CNc1cc2c(nn1)CCN(C(=O)NCCN1CCN(C(=O)[O-])CC1)C2 ZINC000739755637 603046148 /nfs/dbraw/zinc/04/61/48/603046148.db2.gz QOUOZWHVOJDWJR-UHFFFAOYSA-N -1 0 363.422 -0.118 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)NCCN(C)C(=O)[O-])c2ccccc2O1 ZINC000739755700 602766761 /nfs/dbraw/zinc/76/67/61/602766761.db2.gz LCTVROSFJDVFKB-GFCCVEGCSA-N -1 0 365.342 -0.320 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)NCCN(C)C(=O)[O-])c2ccccc2O1 ZINC000739755702 602767015 /nfs/dbraw/zinc/76/70/15/602767015.db2.gz LCTVROSFJDVFKB-LBPRGKRZSA-N -1 0 365.342 -0.320 20 0 FBADRM COC(=O)C1CCN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1 ZINC000739756191 603357550 /nfs/dbraw/zinc/35/75/50/603357550.db2.gz OVZIQUIVTINTEY-UHFFFAOYSA-N -1 0 356.379 -0.597 20 0 FBADRM COC(=O)[C@H]1CCN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C1 ZINC000739756194 603046892 /nfs/dbraw/zinc/04/68/92/603046892.db2.gz OWAOYUMENIORJS-JTQLQIEISA-N -1 0 354.363 -0.497 20 0 FBADRM COC(=O)[C@@H]1CCN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C1 ZINC000739756196 603046834 /nfs/dbraw/zinc/04/68/34/603046834.db2.gz OWAOYUMENIORJS-SNVBAGLBSA-N -1 0 354.363 -0.497 20 0 FBADRM COC(=O)C1CCN(C(=O)CN(C)CCN2CCN(C(=O)[O-])CC2)CC1 ZINC000739756524 602869238 /nfs/dbraw/zinc/86/92/38/602869238.db2.gz QXZBQPVVDQOVQH-UHFFFAOYSA-N -1 0 370.450 -0.375 20 0 FBADRM COC(=O)[C@@H]1CCCN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C1 ZINC000739756558 603052704 /nfs/dbraw/zinc/05/27/04/603052704.db2.gz RSQCUJBTRPCLRK-LLVKDONJSA-N -1 0 368.390 -0.107 20 0 FBADRM COC(=O)[C@H]1CCCN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C1 ZINC000739756559 603604869 /nfs/dbraw/zinc/60/48/69/603604869.db2.gz RSQCUJBTRPCLRK-NSHDSACASA-N -1 0 368.390 -0.107 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)CCO1 ZINC000739756920 602334256 /nfs/dbraw/zinc/33/42/56/602334256.db2.gz SKSNVNCCNZYUKD-SECBINFHSA-N -1 0 352.303 -0.490 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)CCO1 ZINC000739756921 602334463 /nfs/dbraw/zinc/33/44/63/602334463.db2.gz SKSNVNCCNZYUKD-VIFPVBQESA-N -1 0 352.303 -0.490 20 0 FBADRM COC(=O)[C@H](CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])Cc1ccc(O)cc1 ZINC000739757577 603093905 /nfs/dbraw/zinc/09/39/05/603093905.db2.gz HFPKXTJZBKQVJE-FPMFFAJLSA-N -1 0 366.370 -0.047 20 0 FBADRM COC(=O)[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])Cc1ccc(O)cc1 ZINC000739757578 603093643 /nfs/dbraw/zinc/09/36/43/603093643.db2.gz HFPKXTJZBKQVJE-IACUBPJLSA-N -1 0 366.370 -0.047 20 0 FBADRM COC(=O)[C@H](CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])Cc1ccc(O)cc1 ZINC000739757579 603093877 /nfs/dbraw/zinc/09/38/77/603093877.db2.gz HFPKXTJZBKQVJE-UBHSHLNASA-N -1 0 366.370 -0.047 20 0 FBADRM COC(=O)[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])Cc1ccc(O)cc1 ZINC000739757581 603093521 /nfs/dbraw/zinc/09/35/21/603093521.db2.gz HFPKXTJZBKQVJE-YUTCNCBUSA-N -1 0 366.370 -0.047 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)NCCCN2CCN(C(=O)[O-])CC2)CCO1 ZINC000739757949 602331419 /nfs/dbraw/zinc/33/14/19/602331419.db2.gz CHMDQUCKXAIUJC-GFCCVEGCSA-N -1 0 358.395 -0.745 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)NCCCN2CCN(C(=O)[O-])CC2)CCO1 ZINC000739757950 602331374 /nfs/dbraw/zinc/33/13/74/602331374.db2.gz CHMDQUCKXAIUJC-LBPRGKRZSA-N -1 0 358.395 -0.745 20 0 FBADRM COC(=O)[C@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)c1cccs1 ZINC000739758569 602999833 /nfs/dbraw/zinc/99/98/33/602999833.db2.gz AWIBJOMAGXBROA-GFCCVEGCSA-N -1 0 355.372 -0.099 20 0 FBADRM COC(=O)[C@@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)c1cccs1 ZINC000739758571 602999536 /nfs/dbraw/zinc/99/95/36/602999536.db2.gz AWIBJOMAGXBROA-LBPRGKRZSA-N -1 0 355.372 -0.099 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1csc(CNC(=O)[O-])n1 ZINC000739758835 602707400 /nfs/dbraw/zinc/70/74/00/602707400.db2.gz HIUXZGJCCJQGAX-MRVPVSSYSA-N -1 0 356.360 -0.586 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1csc(CNC(=O)[O-])n1 ZINC000739758836 602707529 /nfs/dbraw/zinc/70/75/29/602707529.db2.gz HIUXZGJCCJQGAX-QMMMGPOBSA-N -1 0 356.360 -0.586 20 0 FBADRM COC(=O)CCc1nnc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)s1 ZINC000739760075 603008767 /nfs/dbraw/zinc/00/87/67/603008767.db2.gz HTJVMSJQSXVDBR-UHFFFAOYSA-N -1 0 371.375 -0.596 20 0 FBADRM COC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739760135 603000922 /nfs/dbraw/zinc/00/09/22/603000922.db2.gz SQORZDSQUKTNCD-CYBMUJFWSA-N -1 0 363.370 -0.291 20 0 FBADRM COC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739760142 603000889 /nfs/dbraw/zinc/00/08/89/603000889.db2.gz SQORZDSQUKTNCD-ZDUSSCGKSA-N -1 0 363.370 -0.291 20 0 FBADRM COC(=O)[C@H](CNC(=O)CN1CCN(C(=O)[O-])CC1=O)c1ccccc1 ZINC000739760295 602997229 /nfs/dbraw/zinc/99/72/29/602997229.db2.gz UJIDFEYMAHCTGD-CYBMUJFWSA-N -1 0 363.370 -0.118 20 0 FBADRM COC(=O)[C@@H](CNC(=O)CN1CCN(C(=O)[O-])CC1=O)c1ccccc1 ZINC000739760300 602997478 /nfs/dbraw/zinc/99/74/78/602997478.db2.gz UJIDFEYMAHCTGD-ZDUSSCGKSA-N -1 0 363.370 -0.118 20 0 FBADRM COC(=O)CNC(=O)COC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739760488 602040526 /nfs/dbraw/zinc/04/05/26/602040526.db2.gz FNQVYZFEPRNQPI-UHFFFAOYSA-N -1 0 369.334 -0.961 20 0 FBADRM COC(=O)CCN(C[C@H]1CCCO1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739760781 603007757 /nfs/dbraw/zinc/00/77/57/603007757.db2.gz LAUXDYBWXAUGNP-GFCCVEGCSA-N -1 0 371.390 -0.621 20 0 FBADRM COC(=O)CCN(C[C@@H]1CCCO1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739760784 603007787 /nfs/dbraw/zinc/00/77/87/603007787.db2.gz LAUXDYBWXAUGNP-LBPRGKRZSA-N -1 0 371.390 -0.621 20 0 FBADRM COC(=O)CN(C(=O)CN1CCN(C(=O)[O-])CC1=O)c1cccc(C)n1 ZINC000739760814 603423635 /nfs/dbraw/zinc/42/36/35/603423635.db2.gz LODWNQHCDKPORH-UHFFFAOYSA-N -1 0 364.358 -0.282 20 0 FBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739761017 603280323 /nfs/dbraw/zinc/28/03/23/603280323.db2.gz IWDXCOTZRQIPNP-JTQLQIEISA-N -1 0 359.379 -0.719 20 0 FBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739761019 603280210 /nfs/dbraw/zinc/28/02/10/603280210.db2.gz IWDXCOTZRQIPNP-SNVBAGLBSA-N -1 0 359.379 -0.719 20 0 FBADRM COC(=O)CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000739761068 603064138 /nfs/dbraw/zinc/06/41/38/603064138.db2.gz KGSOXNCYLPWFNN-NEPJUHHUSA-N -1 0 365.342 -0.359 20 0 FBADRM COC(=O)CNC(=O)c1ccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000739761070 603064211 /nfs/dbraw/zinc/06/42/11/603064211.db2.gz KGSOXNCYLPWFNN-NWDGAFQWSA-N -1 0 365.342 -0.359 20 0 FBADRM COC(=O)CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000739761071 603063720 /nfs/dbraw/zinc/06/37/20/603063720.db2.gz KGSOXNCYLPWFNN-RYUDHWBXSA-N -1 0 365.342 -0.359 20 0 FBADRM COC(=O)CNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000739761073 603064154 /nfs/dbraw/zinc/06/41/54/603064154.db2.gz KGSOXNCYLPWFNN-VXGBXAGGSA-N -1 0 365.342 -0.359 20 0 FBADRM COC(=O)CNC(=O)c1ccc(NC(=O)[C@H]2COCCN2C(=O)[O-])cc1 ZINC000739761139 602830672 /nfs/dbraw/zinc/83/06/72/602830672.db2.gz KZFNMGQTIATTRU-GFCCVEGCSA-N -1 0 365.342 -0.093 20 0 FBADRM COC(=O)CNC(=O)c1ccc(NC(=O)[C@@H]2COCCN2C(=O)[O-])cc1 ZINC000739761143 602830681 /nfs/dbraw/zinc/83/06/81/602830681.db2.gz KZFNMGQTIATTRU-LBPRGKRZSA-N -1 0 365.342 -0.093 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)CCO1 ZINC000739761439 602303340 /nfs/dbraw/zinc/30/33/40/602303340.db2.gz LESISXWGWIEIOE-GFCCVEGCSA-N -1 0 367.362 -0.393 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)CCO1 ZINC000739761448 602303169 /nfs/dbraw/zinc/30/31/69/602303169.db2.gz LESISXWGWIEIOE-LBPRGKRZSA-N -1 0 367.362 -0.393 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000739761463 602841843 /nfs/dbraw/zinc/84/18/43/602841843.db2.gz LHROIJBDPKLDTM-GHMZBOCLSA-N -1 0 357.363 -0.965 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000739761464 602841781 /nfs/dbraw/zinc/84/17/81/602841781.db2.gz LHROIJBDPKLDTM-MNOVXSKESA-N -1 0 357.363 -0.965 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739761465 602841436 /nfs/dbraw/zinc/84/14/36/602841436.db2.gz LHROIJBDPKLDTM-QWRGUYRKSA-N -1 0 357.363 -0.965 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739761466 602841431 /nfs/dbraw/zinc/84/14/31/602841431.db2.gz LHROIJBDPKLDTM-WDEREUQCSA-N -1 0 357.363 -0.965 20 0 FBADRM COC(=O)CCCS(=O)(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739761903 603063893 /nfs/dbraw/zinc/06/38/93/603063893.db2.gz ILNJWUHLEIQWKD-UHFFFAOYSA-N -1 0 351.425 -0.503 20 0 FBADRM COC(=O)COc1cccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000739762516 602991939 /nfs/dbraw/zinc/99/19/39/602991939.db2.gz AAQMVCAOATZYFP-UHFFFAOYSA-N -1 0 365.342 -0.001 20 0 FBADRM COC(=O)CCCS(=O)(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739762721 603063571 /nfs/dbraw/zinc/06/35/71/603063571.db2.gz NJGKJBBPNYIHQT-UHFFFAOYSA-N -1 0 365.408 -0.977 20 0 FBADRM COC(=O)COc1ccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000739762887 602993280 /nfs/dbraw/zinc/99/32/80/602993280.db2.gz DJXZZQPHYURKQZ-UHFFFAOYSA-N -1 0 365.342 -0.001 20 0 FBADRM COC(=O)CNS(=O)(=O)c1cccc(NC(=O)CN(C)C(=O)[O-])c1 ZINC000739763552 602569179 /nfs/dbraw/zinc/56/91/79/602569179.db2.gz VJNSFCBPWQHMSS-UHFFFAOYSA-N -1 0 359.360 -0.314 20 0 FBADRM COC(=O)C[C@H]1CSCCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739764034 603008845 /nfs/dbraw/zinc/00/88/45/603008845.db2.gz RHOFCBUWVYWZCX-JTQLQIEISA-N -1 0 359.404 -0.684 20 0 FBADRM COC(=O)C[C@@H]1CSCCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739764041 603009016 /nfs/dbraw/zinc/00/90/16/603009016.db2.gz RHOFCBUWVYWZCX-SNVBAGLBSA-N -1 0 359.404 -0.684 20 0 FBADRM COC(=O)CSCCC(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739764303 602569918 /nfs/dbraw/zinc/56/99/18/602569918.db2.gz IYWHWZCIJSRVRK-UHFFFAOYSA-N -1 0 361.420 -0.437 20 0 FBADRM COC(=O)C1(NC(=O)COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CCCCC1 ZINC000739765363 603161143 /nfs/dbraw/zinc/16/11/43/603161143.db2.gz MLZIHVRWEBWBGR-GHMZBOCLSA-N -1 0 372.374 -0.365 20 0 FBADRM COC(=O)C1(NC(=O)COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CCCCC1 ZINC000739765367 603161218 /nfs/dbraw/zinc/16/12/18/603161218.db2.gz MLZIHVRWEBWBGR-MNOVXSKESA-N -1 0 372.374 -0.365 20 0 FBADRM COC(=O)C1(NC(=O)COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CCCCC1 ZINC000739765371 603161106 /nfs/dbraw/zinc/16/11/06/603161106.db2.gz MLZIHVRWEBWBGR-QWRGUYRKSA-N -1 0 372.374 -0.365 20 0 FBADRM COC(=O)C1(NC(=O)COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CCCCC1 ZINC000739765376 603161232 /nfs/dbraw/zinc/16/12/32/603161232.db2.gz MLZIHVRWEBWBGR-WDEREUQCSA-N -1 0 372.374 -0.365 20 0 FBADRM COC(=O)CSCCNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739765586 602667580 /nfs/dbraw/zinc/66/75/80/602667580.db2.gz RQJRARBZIJAVCS-UHFFFAOYSA-N -1 0 362.408 -0.986 20 0 FBADRM O=C([O-])CCc1nc(COC(=O)CN2C(=O)NC3(CCCC3)C2=O)no1 ZINC000739766388 600186393 /nfs/dbraw/zinc/18/63/93/600186393.db2.gz KFLCDWIEBAMMHX-UHFFFAOYSA-N -1 0 366.330 -0.005 20 0 FBADRM COC(=O)Cc1csc(N(C)C(=O)CN2CCN(C(=O)[O-])CC2=O)n1 ZINC000739768279 603007609 /nfs/dbraw/zinc/00/76/09/603007609.db2.gz LWLTVZXPXANQAM-UHFFFAOYSA-N -1 0 370.387 -0.356 20 0 FBADRM O=C([O-])CCc1nc(COC(=O)Cn2nnc3ccccc3c2=O)no1 ZINC000739768778 600185991 /nfs/dbraw/zinc/18/59/91/600185991.db2.gz GFLBFFHKNFQDDJ-UHFFFAOYSA-N -1 0 359.298 -0.065 20 0 FBADRM COC(=O)Cc1csc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)n1 ZINC000739768879 602996405 /nfs/dbraw/zinc/99/64/05/602996405.db2.gz UZMBELZYIGKJCP-UHFFFAOYSA-N -1 0 356.360 -0.381 20 0 FBADRM COC(=O)Cn1ccc(NC(=O)NCCN2CCN(C(=O)[O-])CC2)n1 ZINC000739769645 603143717 /nfs/dbraw/zinc/14/37/17/603143717.db2.gz HCHATTRXYUFEDR-UHFFFAOYSA-N -1 0 354.367 -0.527 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739770132 602001897 /nfs/dbraw/zinc/00/18/97/602001897.db2.gz FSGCJCWJAXKWNZ-FRRDWIJNSA-N -1 0 367.402 -0.144 20 0 FBADRM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739770133 602001936 /nfs/dbraw/zinc/00/19/36/602001936.db2.gz FSGCJCWJAXKWNZ-JHJVBQTASA-N -1 0 367.402 -0.144 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739770135 602001921 /nfs/dbraw/zinc/00/19/21/602001921.db2.gz FSGCJCWJAXKWNZ-RWMBFGLXSA-N -1 0 367.402 -0.144 20 0 FBADRM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739770136 602001919 /nfs/dbraw/zinc/00/19/19/602001919.db2.gz FSGCJCWJAXKWNZ-YNEHKIRRSA-N -1 0 367.402 -0.144 20 0 FBADRM COC(=O)N(C)CCCC(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739770593 602462239 /nfs/dbraw/zinc/46/22/39/602462239.db2.gz WAYFLQQTOHLJRV-UHFFFAOYSA-N -1 0 358.395 -0.255 20 0 FBADRM COC(=O)[C@@H]1CCCN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739770951 602907008 /nfs/dbraw/zinc/90/70/08/602907008.db2.gz KKQVUUWWNXBMJG-LLVKDONJSA-N -1 0 356.379 -0.597 20 0 FBADRM COC(=O)[C@H]1CCCN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739770953 604045294 /nfs/dbraw/zinc/04/52/94/604045294.db2.gz KKQVUUWWNXBMJG-NSHDSACASA-N -1 0 356.379 -0.597 20 0 FBADRM COC(=O)N[C@H](C(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1)C(C)C ZINC000739772292 602673734 /nfs/dbraw/zinc/67/37/34/602673734.db2.gz HNJOSYWZZQQHQE-LBPRGKRZSA-N -1 0 358.395 -0.352 20 0 FBADRM COC(=O)NCCC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739772337 602570056 /nfs/dbraw/zinc/57/00/56/602570056.db2.gz ISSWWHWCTLYUGL-GFCCVEGCSA-N -1 0 370.406 -0.207 20 0 FBADRM COC(=O)NCCC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739772339 602569826 /nfs/dbraw/zinc/56/98/26/602569826.db2.gz ISSWWHWCTLYUGL-LBPRGKRZSA-N -1 0 370.406 -0.207 20 0 FBADRM COC(=O)C1CCC(NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1 ZINC000739772971 602705387 /nfs/dbraw/zinc/70/53/87/602705387.db2.gz PSVIQRFDDMHMSZ-UHFFFAOYSA-N -1 0 370.406 -0.160 20 0 FBADRM COC(=O)N[C@@H](C(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1)C(C)C ZINC000739774899 602638128 /nfs/dbraw/zinc/63/81/28/602638128.db2.gz HNJOSYWZZQQHQE-GFCCVEGCSA-N -1 0 358.395 -0.352 20 0 FBADRM COC(=O)N1CCC[C@@H](NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739775389 602271332 /nfs/dbraw/zinc/27/13/32/602271332.db2.gz IDXSJXFBNAMDPY-LLVKDONJSA-N -1 0 371.394 -0.661 20 0 FBADRM COC(=O)N1CCC[C@H](NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739775390 602271476 /nfs/dbraw/zinc/27/14/76/602271476.db2.gz IDXSJXFBNAMDPY-NSHDSACASA-N -1 0 371.394 -0.661 20 0 FBADRM COC(=O)N1CCC[C@@H](NC(=O)NCCN2CCN(C(=O)[O-])CC2)C1 ZINC000739775437 602282485 /nfs/dbraw/zinc/28/24/85/602282485.db2.gz JJWZJMHDBCWCJV-GFCCVEGCSA-N -1 0 357.411 -0.188 20 0 FBADRM COC(=O)N1CCC[C@H](NC(=O)NCCN2CCN(C(=O)[O-])CC2)C1 ZINC000739775438 602282408 /nfs/dbraw/zinc/28/24/08/602282408.db2.gz JJWZJMHDBCWCJV-LBPRGKRZSA-N -1 0 357.411 -0.188 20 0 FBADRM COC(=O)[C@H]1CC12CCN(C(=O)CN1CCN(C(=O)[O-])CC1=O)CC2 ZINC000739775776 603030415 /nfs/dbraw/zinc/03/04/15/603030415.db2.gz ZNYYUSFGBUCILV-LLVKDONJSA-N -1 0 353.375 -0.390 20 0 FBADRM COC(=O)[C@@H]1CC12CCN(C(=O)CN1CCN(C(=O)[O-])CC1=O)CC2 ZINC000739775777 603030839 /nfs/dbraw/zinc/03/08/39/603030839.db2.gz ZNYYUSFGBUCILV-NSHDSACASA-N -1 0 353.375 -0.390 20 0 FBADRM COC(=O)N[C@H](C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1)C(C)C ZINC000739777979 602674744 /nfs/dbraw/zinc/67/47/44/602674744.db2.gz WUUAZKLWBNKORF-NEPJUHHUSA-N -1 0 372.422 -0.011 20 0 FBADRM COC(=O)N[C@@H](C(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1)C(C)C ZINC000739777982 602638239 /nfs/dbraw/zinc/63/82/39/602638239.db2.gz WUUAZKLWBNKORF-NWDGAFQWSA-N -1 0 372.422 -0.011 20 0 FBADRM COC(=O)N[C@H](C(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1)C(C)C ZINC000739777985 602674916 /nfs/dbraw/zinc/67/49/16/602674916.db2.gz WUUAZKLWBNKORF-RYUDHWBXSA-N -1 0 372.422 -0.011 20 0 FBADRM COC(=O)N[C@@H](C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1)C(C)C ZINC000739777988 602638217 /nfs/dbraw/zinc/63/82/17/602638217.db2.gz WUUAZKLWBNKORF-VXGBXAGGSA-N -1 0 372.422 -0.011 20 0 FBADRM COC(=O)N1CCN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)CC1 ZINC000739778009 603047242 /nfs/dbraw/zinc/04/72/42/603047242.db2.gz XFWFBKYXNCMIGM-UHFFFAOYSA-N -1 0 369.378 -0.608 20 0 FBADRM COC(=O)NC(C)(C)C(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739778393 602466799 /nfs/dbraw/zinc/46/67/99/602466799.db2.gz ZPYIUCATWKVCAD-JTQLQIEISA-N -1 0 358.395 -0.257 20 0 FBADRM COC(=O)NC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739778395 602466741 /nfs/dbraw/zinc/46/67/41/602466741.db2.gz ZPYIUCATWKVCAD-SNVBAGLBSA-N -1 0 358.395 -0.257 20 0 FBADRM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NC2CN(C(=O)[O-])C2)c1 ZINC000739779172 604413447 /nfs/dbraw/zinc/41/34/47/604413447.db2.gz SZGSEILYUBYFPA-UHFFFAOYSA-N -1 0 372.355 -0.100 20 0 FBADRM COC(=O)c1c[nH]c(=O)c(NC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000739780810 602993450 /nfs/dbraw/zinc/99/34/50/602993450.db2.gz WVJZXIBMICMDPE-UHFFFAOYSA-N -1 0 352.303 -0.666 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCCNC(=O)[O-])c(C(=O)OC)s1 ZINC000739781204 602267659 /nfs/dbraw/zinc/26/76/59/602267659.db2.gz SOHILZWNNOIDIL-UHFFFAOYSA-N -1 0 366.373 -0.133 20 0 FBADRM COC(=O)c1ccc(CCNC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000739782121 602988418 /nfs/dbraw/zinc/98/84/18/602988418.db2.gz GXNKOXLXQYFUSL-UHFFFAOYSA-N -1 0 363.370 -0.046 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CCNC(=O)c1ccco1 ZINC000739784324 600171360 /nfs/dbraw/zinc/17/13/60/600171360.db2.gz AFUCRNNNKDUXEO-UHFFFAOYSA-N -1 0 353.375 -0.355 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CN1Cc2ccccc2C1=O ZINC000739784336 600263087 /nfs/dbraw/zinc/26/30/87/600263087.db2.gz AOPSQQRJFRMBLU-UHFFFAOYSA-N -1 0 361.398 -0.112 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000739784364 600172314 /nfs/dbraw/zinc/17/23/14/600172314.db2.gz BGZSOMBJHFBEMJ-HNNXBMFYSA-N -1 0 367.446 -0.120 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000739784365 600172447 /nfs/dbraw/zinc/17/24/47/600172447.db2.gz BGZSOMBJHFBEMJ-OAHLLOKOSA-N -1 0 367.446 -0.120 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CNC(=O)c1cccc(F)c1 ZINC000739784549 600442520 /nfs/dbraw/zinc/44/25/20/600442520.db2.gz FLVCHGZAUVUJOK-UHFFFAOYSA-N -1 0 367.377 -0.199 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CNC(=O)c1cccs1 ZINC000739784580 600304861 /nfs/dbraw/zinc/30/48/61/600304861.db2.gz GPBRJENCZNDXFX-UHFFFAOYSA-N -1 0 355.416 -0.277 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CNC(=O)c1ccsc1 ZINC000739784625 600442599 /nfs/dbraw/zinc/44/25/99/600442599.db2.gz HRTRBTKDMJLCOX-UHFFFAOYSA-N -1 0 355.416 -0.277 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CNC(=O)C1CCCCC1 ZINC000739784648 600257440 /nfs/dbraw/zinc/25/74/40/600257440.db2.gz HZRBGLCIJIGVFC-UHFFFAOYSA-N -1 0 355.435 -0.072 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CNC(=O)c1ccncc1 ZINC000739784653 600442583 /nfs/dbraw/zinc/44/25/83/600442583.db2.gz IDCKVLVULZCWRS-UHFFFAOYSA-N -1 0 350.375 -0.943 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CNC(=O)NC1CCCCC1 ZINC000739785075 600263814 /nfs/dbraw/zinc/26/38/14/600263814.db2.gz JHGKTMAGROJJJX-UHFFFAOYSA-N -1 0 370.450 -0.136 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CNC(=O)Cc1ccccc1 ZINC000739785093 600172411 /nfs/dbraw/zinc/17/24/11/600172411.db2.gz JZWHLQFHSLLKGR-UHFFFAOYSA-N -1 0 363.414 -0.409 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CSc1cccc[n+]1[O-] ZINC000739785104 600262855 /nfs/dbraw/zinc/26/28/55/600262855.db2.gz KPIKIBLBVGWYGO-UHFFFAOYSA-N -1 0 355.416 -0.343 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CCCN1C(=O)CCC1=O ZINC000739785109 600263726 /nfs/dbraw/zinc/26/37/26/600263726.db2.gz KRSWLRQBAUXMEE-UHFFFAOYSA-N -1 0 355.391 -0.839 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1ccc(-n2cnnn2)cc1 ZINC000739785171 600263777 /nfs/dbraw/zinc/26/37/77/600263777.db2.gz ACNNZYNUMGCICC-UHFFFAOYSA-N -1 0 360.374 -0.479 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1ccnc(N2CCCC2)n1 ZINC000739785220 600549483 /nfs/dbraw/zinc/54/94/83/600549483.db2.gz BFMZIDISPGBPNM-UHFFFAOYSA-N -1 0 363.418 -0.064 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000739785294 600266449 /nfs/dbraw/zinc/26/64/49/600266449.db2.gz CXOOHZOJUGUXLI-UHFFFAOYSA-N -1 0 374.401 -0.415 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1ccnc(-n2cncn2)c1 ZINC000739785330 600262036 /nfs/dbraw/zinc/26/20/36/600262036.db2.gz DMKUULCLXZJFSK-UHFFFAOYSA-N -1 0 360.374 -0.479 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CNC(=O)NCc1ccco1 ZINC000739785517 600265108 /nfs/dbraw/zinc/26/51/08/600265108.db2.gz OGWAYYYDEFDYLD-UHFFFAOYSA-N -1 0 368.390 -0.676 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CNC(=O)c1ccc(F)cc1 ZINC000739785526 600442541 /nfs/dbraw/zinc/44/25/41/600442541.db2.gz OKLUVCKZIZLGDN-UHFFFAOYSA-N -1 0 367.377 -0.199 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)C(=O)NCc1ccc(F)cc1 ZINC000739785644 601061194 /nfs/dbraw/zinc/06/11/94/601061194.db2.gz QTHIHBSJQJIOSU-UHFFFAOYSA-N -1 0 367.377 -0.313 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)Cn1ncc2ccccc2c1=O ZINC000739785728 600172522 /nfs/dbraw/zinc/17/25/22/600172522.db2.gz HNYAHOZSGODMQC-UHFFFAOYSA-N -1 0 374.397 -0.358 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000739785737 600173539 /nfs/dbraw/zinc/17/35/39/600173539.db2.gz HTGBIHIJZOWBCW-UHFFFAOYSA-N -1 0 374.401 -0.550 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CCCn1ccccc1=O ZINC000739786002 600257456 /nfs/dbraw/zinc/25/74/56/600257456.db2.gz ROWUPPYAXMQTGH-UHFFFAOYSA-N -1 0 351.403 -0.126 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000739786037 600549489 /nfs/dbraw/zinc/54/94/89/600549489.db2.gz SSYZETLJEWGLDT-AGUYFDCRSA-N -1 0 354.403 -0.527 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CNC(=O)CC1CCCC1 ZINC000739786083 600265188 /nfs/dbraw/zinc/26/51/88/600265188.db2.gz WBNBSIQTNZOPLE-UHFFFAOYSA-N -1 0 355.435 -0.072 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)Cn1c(=O)cnc2ccccc21 ZINC000739786210 600171767 /nfs/dbraw/zinc/17/17/67/600171767.db2.gz LQQNIZUHOXYMEB-UHFFFAOYSA-N -1 0 374.397 -0.358 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1cnc2sccn2c1=O ZINC000739786224 600264400 /nfs/dbraw/zinc/26/44/00/600264400.db2.gz MALBHEXLXNUJEW-UHFFFAOYSA-N -1 0 366.399 -0.385 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CSc1nnnn1C1CC1 ZINC000739786265 600173577 /nfs/dbraw/zinc/17/35/77/600173577.db2.gz NONQKILIKXPASZ-UHFFFAOYSA-N -1 0 370.435 -0.655 20 0 FBADRM COC(=O)c1ccc(CNC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)o1 ZINC000739786311 603257776 /nfs/dbraw/zinc/25/77/76/603257776.db2.gz NVROGQFQASEFLK-UHFFFAOYSA-N -1 0 368.346 -0.312 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CS(=O)(=O)C1CCCC1 ZINC000739786439 600266224 /nfs/dbraw/zinc/26/62/24/600266224.db2.gz YJCDFEAWDPPHDH-UHFFFAOYSA-N -1 0 362.448 -0.411 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CNC(=O)c1ccc(O)cc1 ZINC000739786494 600442690 /nfs/dbraw/zinc/44/26/90/600442690.db2.gz ZUMHXFQGGHQKES-UHFFFAOYSA-N -1 0 365.386 -0.633 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1cnc2n(c1=O)CCS2 ZINC000739786583 600264408 /nfs/dbraw/zinc/26/44/08/600264408.db2.gz PKHSFFQVWQFXDO-UHFFFAOYSA-N -1 0 368.415 -0.792 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1ccc(-n2cncn2)nc1 ZINC000739786617 600263342 /nfs/dbraw/zinc/26/33/42/600263342.db2.gz QEDFLVRPTSLGLU-UHFFFAOYSA-N -1 0 360.374 -0.479 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000739786689 600171728 /nfs/dbraw/zinc/17/17/28/600171728.db2.gz RTGDOIQZKPFMFY-UHFFFAOYSA-N -1 0 363.370 -0.124 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1ccc(N2CCCC2)nn1 ZINC000739786716 600263369 /nfs/dbraw/zinc/26/33/69/600263369.db2.gz SBTMEKQULDPORI-UHFFFAOYSA-N -1 0 363.418 -0.064 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000739786753 600172739 /nfs/dbraw/zinc/17/27/39/600172739.db2.gz SONPEPKSHCWGFI-UHFFFAOYSA-N -1 0 363.370 -0.124 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1cccc(-n2cnnn2)c1 ZINC000739786792 600171725 /nfs/dbraw/zinc/17/17/25/600171725.db2.gz TVUPHMCLCNDCQN-UHFFFAOYSA-N -1 0 360.374 -0.479 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)Cn1cnc2ccccc2c1=O ZINC000739786822 600267070 /nfs/dbraw/zinc/26/70/70/600267070.db2.gz UHCGURUIUDFAFV-UHFFFAOYSA-N -1 0 374.397 -0.358 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000739787036 600266359 /nfs/dbraw/zinc/26/63/59/600266359.db2.gz VJLHSVBUZNSWIU-UHFFFAOYSA-N -1 0 362.386 -0.013 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1ccc(-n2ccnc2)nn1 ZINC000739787087 600265652 /nfs/dbraw/zinc/26/56/52/600265652.db2.gz WFLMKZCTQNYZSW-UHFFFAOYSA-N -1 0 360.374 -0.479 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000739787141 600442573 /nfs/dbraw/zinc/44/25/73/600442573.db2.gz XFYGWCGJKFPJOG-UHFFFAOYSA-N -1 0 361.354 -0.571 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)S(=O)(=O)C[C@H]1CCCCO1 ZINC000739789599 600162259 /nfs/dbraw/zinc/16/22/59/600162259.db2.gz DDYDUTIVQCFIHQ-CYBMUJFWSA-N -1 0 350.437 -0.396 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)S(=O)(=O)C[C@@H]1CCCCO1 ZINC000739789600 600162123 /nfs/dbraw/zinc/16/21/23/600162123.db2.gz DDYDUTIVQCFIHQ-ZDUSSCGKSA-N -1 0 350.437 -0.396 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)S(=O)(=O)c1c[nH]c2ncccc12 ZINC000739790284 600415068 /nfs/dbraw/zinc/41/50/68/600415068.db2.gz GNLBFIKNDRGUAC-UHFFFAOYSA-N -1 0 368.415 -0.030 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)CC(=O)NC(=O)NC1CCCCC1 ZINC000739790335 600146003 /nfs/dbraw/zinc/14/60/03/600146003.db2.gz GZIZEZMZHVWAIE-UHFFFAOYSA-N -1 0 370.450 -0.136 20 0 FBADRM COC(=O)c1cccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)c1O ZINC000739790344 603102614 /nfs/dbraw/zinc/10/26/14/603102614.db2.gz RZHQKFZAVOJBBT-UHFFFAOYSA-N -1 0 351.315 -0.061 20 0 FBADRM COC(=O)c1coc(C(=O)COC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000739790438 603109171 /nfs/dbraw/zinc/10/91/71/603109171.db2.gz DDCANHXAOXOVDY-UHFFFAOYSA-N -1 0 368.298 -0.386 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)CC(=O)N1CCC2(CC1)OCCO2 ZINC000739790459 600316791 /nfs/dbraw/zinc/31/67/91/600316791.db2.gz IKGMAGUUTQOXNY-UHFFFAOYSA-N -1 0 371.434 -0.929 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000739790563 600316902 /nfs/dbraw/zinc/31/69/02/600316902.db2.gz JQXPSEVLIPJKPH-LLVKDONJSA-N -1 0 353.341 -0.132 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000739790567 600317062 /nfs/dbraw/zinc/31/70/62/600317062.db2.gz JQXPSEVLIPJKPH-NSHDSACASA-N -1 0 353.341 -0.132 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)CC(=O)NC(=O)NC1CCCC1 ZINC000739791219 600146486 /nfs/dbraw/zinc/14/64/86/600146486.db2.gz MQAANVHACPGJTD-UHFFFAOYSA-N -1 0 356.423 -0.526 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)CC(=O)NC(=O)NCC(F)(F)F ZINC000739791775 600147884 /nfs/dbraw/zinc/14/78/84/600147884.db2.gz PYZIJHLWZKSZEV-UHFFFAOYSA-N -1 0 370.328 -0.907 20 0 FBADRM COC(=O)c1nn(CN2CC[C@@H](NC(=O)[O-])C2)c(=O)c2noc(C)c21 ZINC000739792218 602422163 /nfs/dbraw/zinc/42/21/63/602422163.db2.gz KFCZRVZCPRAZID-MRVPVSSYSA-N -1 0 351.319 -0.221 20 0 FBADRM COC(=O)c1nn(CN2CC[C@H](NC(=O)[O-])C2)c(=O)c2noc(C)c21 ZINC000739792219 602422161 /nfs/dbraw/zinc/42/21/61/602422161.db2.gz KFCZRVZCPRAZID-QMMMGPOBSA-N -1 0 351.319 -0.221 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000739792715 600146599 /nfs/dbraw/zinc/14/65/99/600146599.db2.gz YIENFXNQMRHQBB-CVEARBPZSA-N -1 0 369.462 -0.125 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000739792718 600146508 /nfs/dbraw/zinc/14/65/08/600146508.db2.gz YIENFXNQMRHQBB-HOTGVXAUSA-N -1 0 369.462 -0.125 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000739792720 600146587 /nfs/dbraw/zinc/14/65/87/600146587.db2.gz YIENFXNQMRHQBB-HZPDHXFCSA-N -1 0 369.462 -0.125 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000739792724 600146857 /nfs/dbraw/zinc/14/68/57/600146857.db2.gz YIENFXNQMRHQBB-JKSUJKDBSA-N -1 0 369.462 -0.125 20 0 FBADRM COC(=O)c1sc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)nc1C ZINC000739792752 602986147 /nfs/dbraw/zinc/98/61/47/602986147.db2.gz LFEWDFKEYGJDCT-UHFFFAOYSA-N -1 0 356.360 -0.001 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)CC(=O)NC(=O)NCc1ccco1 ZINC000739792846 600146921 /nfs/dbraw/zinc/14/69/21/600146921.db2.gz ZKNBNCLNKGLWFP-UHFFFAOYSA-N -1 0 368.390 -0.676 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)Cc1nnnn1Cc1ccccc1 ZINC000739792858 600317021 /nfs/dbraw/zinc/31/70/21/600317021.db2.gz ZYFDUZWVBMBEIJ-UHFFFAOYSA-N -1 0 360.418 -0.060 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCCN2CCN(C(=O)[O-])CC2)o1 ZINC000739794015 602591775 /nfs/dbraw/zinc/59/17/75/602591775.db2.gz ZLYKCBOIYHMKEK-UHFFFAOYSA-N -1 0 361.376 -0.360 20 0 FBADRM COC1(C(=O)NCCC(=O)N2CCN(C)CC2)CCN(C(=O)[O-])CC1 ZINC000739796811 603118472 /nfs/dbraw/zinc/11/84/72/603118472.db2.gz FITLLZNKXIMDLQ-UHFFFAOYSA-N -1 0 356.423 -0.574 20 0 FBADRM COC1(C(=O)NCCOCCS(C)(=O)=O)CCN(C(=O)[O-])CC1 ZINC000739797227 603284944 /nfs/dbraw/zinc/28/49/44/603284944.db2.gz KGWJSHLGJIDOQT-UHFFFAOYSA-N -1 0 352.409 -0.677 20 0 FBADRM COC1(C(=O)NCCN2CCN(C(C)=O)CC2)CCN(C(=O)[O-])CC1 ZINC000739798043 602459916 /nfs/dbraw/zinc/45/99/16/602459916.db2.gz VLNRMACEOKAENM-UHFFFAOYSA-N -1 0 356.423 -0.574 20 0 FBADRM COC1(C(=O)NCCCN2CCCS2(=O)=O)CCN(C(=O)[O-])CC1 ZINC000739798077 601910852 /nfs/dbraw/zinc/91/08/52/601910852.db2.gz VQCCCJYVOFQMSF-UHFFFAOYSA-N -1 0 363.436 -0.313 20 0 FBADRM COC1(C(=O)NC2CCN(CC(=O)N(C)C)CC2)CCN(C(=O)[O-])CC1 ZINC000739798593 602733497 /nfs/dbraw/zinc/73/34/97/602733497.db2.gz HETUIFMRGPVXLL-UHFFFAOYSA-N -1 0 370.450 -0.186 20 0 FBADRM COC1(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CCN(C(=O)[O-])CC1 ZINC000739798672 603014745 /nfs/dbraw/zinc/01/47/45/603014745.db2.gz IWJQQHKNUJGTAI-GFCCVEGCSA-N -1 0 365.390 -0.199 20 0 FBADRM COC1(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CCN(C(=O)[O-])CC1 ZINC000739798673 603014508 /nfs/dbraw/zinc/01/45/08/603014508.db2.gz IWJQQHKNUJGTAI-LBPRGKRZSA-N -1 0 365.390 -0.199 20 0 FBADRM COC1(C(=O)NCC(C)(C)NS(C)(=O)=O)CCN(C(=O)[O-])CC1 ZINC000739798692 602729975 /nfs/dbraw/zinc/72/99/75/602729975.db2.gz JGQMIALJNADADZ-UHFFFAOYSA-N -1 0 351.425 -0.411 20 0 FBADRM COC1(C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)CCN(C(=O)[O-])CC1 ZINC000739799191 602501224 /nfs/dbraw/zinc/50/12/24/602501224.db2.gz PWQWNLPYDOTILA-LLVKDONJSA-N -1 0 363.436 -0.328 20 0 FBADRM COC1(C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)CCN(C(=O)[O-])CC1 ZINC000739799192 602501229 /nfs/dbraw/zinc/50/12/29/602501229.db2.gz PWQWNLPYDOTILA-NSHDSACASA-N -1 0 363.436 -0.328 20 0 FBADRM CO[C@H](CNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)C(F)(F)F ZINC000739799296 602897481 /nfs/dbraw/zinc/89/74/81/602897481.db2.gz UYPXLCMHKWJDSW-MRVPVSSYSA-N -1 0 356.301 -0.315 20 0 FBADRM CO[C@@H](CNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)C(F)(F)F ZINC000739799297 602897409 /nfs/dbraw/zinc/89/74/09/602897409.db2.gz UYPXLCMHKWJDSW-QMMMGPOBSA-N -1 0 356.301 -0.315 20 0 FBADRM COC1(C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)CCN(C(=O)[O-])CC1 ZINC000739799696 603226873 /nfs/dbraw/zinc/22/68/73/603226873.db2.gz UGXDYGVSOVHNKY-UHFFFAOYSA-N -1 0 366.422 -0.084 20 0 FBADRM COC1(C(=O)N2CCO[C@@H](Cn3cncn3)C2)CCN(C(=O)[O-])CC1 ZINC000739800826 661793888 /nfs/dbraw/zinc/79/38/88/661793888.db2.gz ZUJFCIJGZWKQPK-GFCCVEGCSA-N -1 0 353.379 -0.336 20 0 FBADRM COC1(C(=O)N2CCO[C@H](Cn3cncn3)C2)CCN(C(=O)[O-])CC1 ZINC000739800827 661793814 /nfs/dbraw/zinc/79/38/14/661793814.db2.gz ZUJFCIJGZWKQPK-LBPRGKRZSA-N -1 0 353.379 -0.336 20 0 FBADRM COC1(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CCN(C(=O)[O-])CC1 ZINC000739802139 602955219 /nfs/dbraw/zinc/95/52/19/602955219.db2.gz ILNKYVYEODUEDD-UHFFFAOYSA-N -1 0 354.367 -0.536 20 0 FBADRM COCC(=O)N[C@H](C(=O)N(C)CCN1CCN(C(=O)[O-])CC1)C(C)C ZINC000739802546 603024454 /nfs/dbraw/zinc/02/44/54/603024454.db2.gz CBLPUNBKKMFNNH-AWEZNQCLSA-N -1 0 358.439 -0.472 20 0 FBADRM COCC(=O)Nc1ccc(NC(=O)C(=O)NCCN(C)C(=O)[O-])cc1 ZINC000739802601 602766765 /nfs/dbraw/zinc/76/67/65/602766765.db2.gz RQNJVGXBLPGAAW-UHFFFAOYSA-N -1 0 352.347 -0.064 20 0 FBADRM COCC(=O)Nc1ccc(OC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000739802608 603029020 /nfs/dbraw/zinc/02/90/20/603029020.db2.gz RUBMVRIXOUTDJR-UHFFFAOYSA-N -1 0 365.342 -0.001 20 0 FBADRM COCC(=O)N1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)CC1 ZINC000739804954 602088726 /nfs/dbraw/zinc/08/87/26/602088726.db2.gz IQRYBGXWZWKFCB-UHFFFAOYSA-N -1 0 365.346 -0.573 20 0 FBADRM COCC(=O)NC1CCN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CC1 ZINC000739805562 603169278 /nfs/dbraw/zinc/16/92/78/603169278.db2.gz MWWHTUIIWHQRJK-UHFFFAOYSA-N -1 0 370.450 -0.186 20 0 FBADRM COC[C@@H](C)NC(=O)NC(=O)CN(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739805914 602873497 /nfs/dbraw/zinc/87/34/97/602873497.db2.gz LJYBBBIIAMAQFK-GFCCVEGCSA-N -1 0 359.427 -0.926 20 0 FBADRM COC[C@H](C)NC(=O)NC(=O)CN(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739805923 602873148 /nfs/dbraw/zinc/87/31/48/602873148.db2.gz LJYBBBIIAMAQFK-LBPRGKRZSA-N -1 0 359.427 -0.926 20 0 FBADRM COC[C@H]1CN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)CCO1 ZINC000739805946 603052487 /nfs/dbraw/zinc/05/24/87/603052487.db2.gz PBNABCMUUWTKBK-LLVKDONJSA-N -1 0 356.379 -0.645 20 0 FBADRM COC[C@@H]1CN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)CCO1 ZINC000739805951 603052624 /nfs/dbraw/zinc/05/26/24/603052624.db2.gz PBNABCMUUWTKBK-NSHDSACASA-N -1 0 356.379 -0.645 20 0 FBADRM COCC(=O)N1CCN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CC1 ZINC000739806345 603119578 /nfs/dbraw/zinc/11/95/78/603119578.db2.gz RZHVEIUNKNTHBN-UHFFFAOYSA-N -1 0 356.423 -0.622 20 0 FBADRM COCCCNC(=O)C1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000739806571 661793933 /nfs/dbraw/zinc/79/39/33/661793933.db2.gz DZGGROAVDCLAGL-CYBMUJFWSA-N -1 0 357.407 -0.244 20 0 FBADRM COCCCNC(=O)C1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000739806572 661793892 /nfs/dbraw/zinc/79/38/92/661793892.db2.gz DZGGROAVDCLAGL-ZDUSSCGKSA-N -1 0 357.407 -0.244 20 0 FBADRM COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739806616 603302040 /nfs/dbraw/zinc/30/20/40/603302040.db2.gz FSEKXWIALFUDQZ-KBPBESRZSA-N -1 0 370.450 -0.328 20 0 FBADRM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739806618 603302024 /nfs/dbraw/zinc/30/20/24/603302024.db2.gz FSEKXWIALFUDQZ-KGLIPLIRSA-N -1 0 370.450 -0.328 20 0 FBADRM COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739806620 603301869 /nfs/dbraw/zinc/30/18/69/603301869.db2.gz FSEKXWIALFUDQZ-UONOGXRCSA-N -1 0 370.450 -0.328 20 0 FBADRM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739806622 603302331 /nfs/dbraw/zinc/30/23/31/603302331.db2.gz FSEKXWIALFUDQZ-ZIAGYGMSSA-N -1 0 370.450 -0.328 20 0 FBADRM O=C([O-])CNC(=O)CCN1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000739806755 600158945 /nfs/dbraw/zinc/15/89/45/600158945.db2.gz NKCHPJPWKZOTFM-UHFFFAOYSA-N -1 0 369.443 -0.275 20 0 FBADRM COCC(=O)NC1CCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000739807198 603396366 /nfs/dbraw/zinc/39/63/66/603396366.db2.gz YARFGAIKGWPZCI-CYBMUJFWSA-N -1 0 357.407 -0.101 20 0 FBADRM COCC(=O)NC1CCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000739807199 603396411 /nfs/dbraw/zinc/39/64/11/603396411.db2.gz YARFGAIKGWPZCI-ZDUSSCGKSA-N -1 0 357.407 -0.101 20 0 FBADRM COCC(=O)N[C@H](C(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1)C(C)C ZINC000739807255 603019737 /nfs/dbraw/zinc/01/97/37/603019737.db2.gz ZFXRECXHSUDYNZ-AWEZNQCLSA-N -1 0 372.422 -0.946 20 0 FBADRM O=C([O-])CNC(=O)CCN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000739807287 600287664 /nfs/dbraw/zinc/28/76/64/600287664.db2.gz PNXMNHLTBOVQNF-UHFFFAOYSA-N -1 0 363.370 -0.236 20 0 FBADRM COC[C@@H](C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739807444 603023739 /nfs/dbraw/zinc/02/37/39/603023739.db2.gz PUQRXKUOZLUBEJ-GHMZBOCLSA-N -1 0 351.425 -0.553 20 0 FBADRM COC[C@@H](C)S(=O)(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739807445 603024079 /nfs/dbraw/zinc/02/40/79/603024079.db2.gz PUQRXKUOZLUBEJ-MNOVXSKESA-N -1 0 351.425 -0.553 20 0 FBADRM COC[C@H](C)S(=O)(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739807446 603023610 /nfs/dbraw/zinc/02/36/10/603023610.db2.gz PUQRXKUOZLUBEJ-QWRGUYRKSA-N -1 0 351.425 -0.553 20 0 FBADRM COC[C@H](C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739807447 603023665 /nfs/dbraw/zinc/02/36/65/603023665.db2.gz PUQRXKUOZLUBEJ-WDEREUQCSA-N -1 0 351.425 -0.553 20 0 FBADRM COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1 ZINC000739807512 597044246 /nfs/dbraw/zinc/04/42/46/597044246.db2.gz QPVYWTVRDGJWJF-SECBINFHSA-N -1 0 373.387 -0.861 20 0 FBADRM COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1 ZINC000739807513 597044167 /nfs/dbraw/zinc/04/41/67/597044167.db2.gz QPVYWTVRDGJWJF-VIFPVBQESA-N -1 0 373.387 -0.861 20 0 FBADRM COCCCNC(=O)CN(C)C(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000739807525 603124424 /nfs/dbraw/zinc/12/44/24/603124424.db2.gz LJMQIEMEQUGJBL-UHFFFAOYSA-N -1 0 358.439 -0.328 20 0 FBADRM O=C([O-])CNC(=O)CCN1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000739807664 600158660 /nfs/dbraw/zinc/15/86/60/600158660.db2.gz UJWMUAJAFCGBQX-UHFFFAOYSA-N -1 0 355.416 -0.416 20 0 FBADRM O=C([O-])CNC(=O)CCN1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000739807688 600291526 /nfs/dbraw/zinc/29/15/26/600291526.db2.gz UYJOXWGBZRIJNU-UHFFFAOYSA-N -1 0 367.377 -0.060 20 0 FBADRM O=C([O-])CNC(=O)CCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000739807778 600285584 /nfs/dbraw/zinc/28/55/84/600285584.db2.gz WHEIJWVULJROBM-UHFFFAOYSA-N -1 0 373.406 -0.277 20 0 FBADRM COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000739807866 602363174 /nfs/dbraw/zinc/36/31/74/602363174.db2.gz OGBNYLDFHLDFSA-KBPBESRZSA-N -1 0 370.450 -0.186 20 0 FBADRM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000739807870 602363266 /nfs/dbraw/zinc/36/32/66/602363266.db2.gz OGBNYLDFHLDFSA-KGLIPLIRSA-N -1 0 370.450 -0.186 20 0 FBADRM COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCCN2C(=O)[O-])CC1 ZINC000739807873 602363116 /nfs/dbraw/zinc/36/31/16/602363116.db2.gz OGBNYLDFHLDFSA-UONOGXRCSA-N -1 0 370.450 -0.186 20 0 FBADRM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CCCN2C(=O)[O-])CC1 ZINC000739807878 602363490 /nfs/dbraw/zinc/36/34/90/602363490.db2.gz OGBNYLDFHLDFSA-ZIAGYGMSSA-N -1 0 370.450 -0.186 20 0 FBADRM COCCCNC(=O)C1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000739808051 603193245 /nfs/dbraw/zinc/19/32/45/603193245.db2.gz ROCIABRBFHCPLH-CHWSQXEVSA-N -1 0 357.407 -0.509 20 0 FBADRM COCCCNC(=O)C1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000739808054 603193141 /nfs/dbraw/zinc/19/31/41/603193141.db2.gz ROCIABRBFHCPLH-OLZOCXBDSA-N -1 0 357.407 -0.509 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000739808262 599952459 /nfs/dbraw/zinc/95/24/59/599952459.db2.gz CDFVBRXWJIHXMF-INIZCTEOSA-N -1 0 350.371 -0.072 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000739808263 599952325 /nfs/dbraw/zinc/95/23/25/599952325.db2.gz CDFVBRXWJIHXMF-MRXNPFEDSA-N -1 0 350.371 -0.072 20 0 FBADRM COCCCNC(=O)C1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000739808328 603194619 /nfs/dbraw/zinc/19/46/19/603194619.db2.gz ROCIABRBFHCPLH-QWHCGFSZSA-N -1 0 357.407 -0.509 20 0 FBADRM COCCCNC(=O)C1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000739808329 603194665 /nfs/dbraw/zinc/19/46/65/603194665.db2.gz ROCIABRBFHCPLH-STQMWFEESA-N -1 0 357.407 -0.509 20 0 FBADRM O=C([O-])CNC(=O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000739808803 600050406 /nfs/dbraw/zinc/05/04/06/600050406.db2.gz JESXBZOTFMMTCO-UHFFFAOYSA-N -1 0 352.366 -0.417 20 0 FBADRM COCCCOC1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000739808866 661793901 /nfs/dbraw/zinc/79/39/01/661793901.db2.gz YUSVIXBNQNOPMC-UHFFFAOYSA-N -1 0 357.407 -0.147 20 0 FBADRM O=C([O-])CNC(=O)CN1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000739809115 600471984 /nfs/dbraw/zinc/47/19/84/600471984.db2.gz LWTLGLUCLLGNII-UHFFFAOYSA-N -1 0 366.393 -0.626 20 0 FBADRM O=C([O-])CNC(=O)CN1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000739809190 600547167 /nfs/dbraw/zinc/54/71/67/600547167.db2.gz OYZKIPJQWJUVSF-HNNXBMFYSA-N -1 0 360.414 -0.390 20 0 FBADRM O=C([O-])CNC(=O)CN1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000739809193 600547315 /nfs/dbraw/zinc/54/73/15/600547315.db2.gz OYZKIPJQWJUVSF-OAHLLOKOSA-N -1 0 360.414 -0.390 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1 ZINC000739809200 599747523 /nfs/dbraw/zinc/74/75/23/599747523.db2.gz PLANUAPBNHSDDM-NEPJUHHUSA-N -1 0 368.317 -0.855 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 ZINC000739809202 599747560 /nfs/dbraw/zinc/74/75/60/599747560.db2.gz PLANUAPBNHSDDM-NWDGAFQWSA-N -1 0 368.317 -0.855 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 ZINC000739809203 599747449 /nfs/dbraw/zinc/74/74/49/599747449.db2.gz PLANUAPBNHSDDM-RYUDHWBXSA-N -1 0 368.317 -0.855 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1 ZINC000739809205 599747417 /nfs/dbraw/zinc/74/74/17/599747417.db2.gz PLANUAPBNHSDDM-VXGBXAGGSA-N -1 0 368.317 -0.855 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000739809788 599787565 /nfs/dbraw/zinc/78/75/65/599787565.db2.gz ZTNJNMMMCWYUPY-SSDOTTSWSA-N -1 0 356.253 -0.106 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000739809789 599787410 /nfs/dbraw/zinc/78/74/10/599787410.db2.gz ZTNJNMMMCWYUPY-ZETCQYMHSA-N -1 0 356.253 -0.106 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)CNC(=O)NCc1ccc(Cl)cc1 ZINC000739812248 600165812 /nfs/dbraw/zinc/16/58/12/600165812.db2.gz BNZZYRQYUYFECW-UHFFFAOYSA-N -1 0 357.750 -0.117 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000739812298 600106275 /nfs/dbraw/zinc/10/62/75/600106275.db2.gz DRSNFAPZOSVION-NSHDSACASA-N -1 0 352.368 -0.054 20 0 FBADRM O=C([O-])CNC(=O)Cn1nnc([C@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000739812651 600274899 /nfs/dbraw/zinc/27/48/99/600274899.db2.gz JAQCYXHAAFDXDL-CYBMUJFWSA-N -1 0 360.374 -0.553 20 0 FBADRM O=C([O-])CNC(=O)Cn1nnc([C@@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000739812654 600274984 /nfs/dbraw/zinc/27/49/84/600274984.db2.gz JAQCYXHAAFDXDL-ZDUSSCGKSA-N -1 0 360.374 -0.553 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000739813000 600225809 /nfs/dbraw/zinc/22/58/09/600225809.db2.gz KOJJZJXOLCHDPM-UHFFFAOYSA-N -1 0 363.330 -0.826 20 0 FBADRM COCCCn1ccc(NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)n1 ZINC000739813448 603348138 /nfs/dbraw/zinc/34/81/38/603348138.db2.gz RLQVCSQRKITYDL-UHFFFAOYSA-N -1 0 368.394 -0.137 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)CCn2cc[nH]c(=O)c2=O)cc1 ZINC000739813464 599955061 /nfs/dbraw/zinc/95/50/61/599955061.db2.gz QLSIMCHMQDCHPP-UHFFFAOYSA-N -1 0 360.326 -0.620 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)NCC2(O)CCCC2)cc1 ZINC000739813477 600331948 /nfs/dbraw/zinc/33/19/48/600331948.db2.gz RVSQNHXNAUTYTO-UHFFFAOYSA-N -1 0 363.370 -0.139 20 0 FBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)CCn2cc[nH]c(=O)c2=O)cc1 ZINC000739813564 599954977 /nfs/dbraw/zinc/95/49/77/599954977.db2.gz KQRCXQSHJWWKCQ-UHFFFAOYSA-N -1 0 374.353 -0.691 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000739813625 600735391 /nfs/dbraw/zinc/73/53/91/600735391.db2.gz NVOGTWMMOMNGGM-UHFFFAOYSA-N -1 0 365.310 -0.031 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)N2CCn3ccnc3C2)cc1 ZINC000739813857 600505561 /nfs/dbraw/zinc/50/55/61/600505561.db2.gz YKIRUPOTMOVAQS-UHFFFAOYSA-N -1 0 371.353 -0.322 20 0 FBADRM COCCN(C(=O)CN(C)C(=O)[O-])c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000739814199 603331655 /nfs/dbraw/zinc/33/16/55/603331655.db2.gz VXDMMTCSOXDBAP-UHFFFAOYSA-N -1 0 371.394 -0.224 20 0 FBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)C(=O)NCC2(O)CCC2)cc1 ZINC000739814216 600339723 /nfs/dbraw/zinc/33/97/23/600339723.db2.gz RAERWUTXWFWVDK-UHFFFAOYSA-N -1 0 363.370 -0.600 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000739814244 600089777 /nfs/dbraw/zinc/08/97/77/600089777.db2.gz RRKSKXNUKZAUEZ-UHFFFAOYSA-N -1 0 350.327 -0.064 20 0 FBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000739814253 599838700 /nfs/dbraw/zinc/83/87/00/599838700.db2.gz SEPUEMJMAZRXGX-UHFFFAOYSA-N -1 0 369.399 -0.308 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)NCCN2C(=O)CCC2=O)cc1 ZINC000739814339 600335010 /nfs/dbraw/zinc/33/50/10/600335010.db2.gz WHRKKCRKEGPEBQ-UHFFFAOYSA-N -1 0 362.342 -0.229 20 0 FBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCOC2)cc1 ZINC000739814804 599998704 /nfs/dbraw/zinc/99/87/04/599998704.db2.gz VNAJRSBIBIPLTL-CYBMUJFWSA-N -1 0 363.370 -0.336 20 0 FBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CCCOC2)cc1 ZINC000739814808 599998759 /nfs/dbraw/zinc/99/87/59/599998759.db2.gz VNAJRSBIBIPLTL-ZDUSSCGKSA-N -1 0 363.370 -0.336 20 0 FBADRM O=C([O-])CNC(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2 ZINC000739814863 600248385 /nfs/dbraw/zinc/24/83/85/600248385.db2.gz WWKVAXSRRFPDNE-UHFFFAOYSA-N -1 0 351.344 -0.274 20 0 FBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@H](CO)C2CC2)cc1 ZINC000739814874 600551674 /nfs/dbraw/zinc/55/16/74/600551674.db2.gz XGCAXNHBOJUVCY-CYBMUJFWSA-N -1 0 363.370 -0.745 20 0 FBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H](CO)C2CC2)cc1 ZINC000739814875 600551708 /nfs/dbraw/zinc/55/17/08/600551708.db2.gz XGCAXNHBOJUVCY-ZDUSSCGKSA-N -1 0 363.370 -0.745 20 0 FBADRM COCCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739815064 602563237 /nfs/dbraw/zinc/56/32/37/602563237.db2.gz ZZRVIHSWKSFJEP-LLVKDONJSA-N -1 0 351.425 -0.552 20 0 FBADRM COCCCS(=O)(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739815066 602563236 /nfs/dbraw/zinc/56/32/36/602563236.db2.gz ZZRVIHSWKSFJEP-NSHDSACASA-N -1 0 351.425 -0.552 20 0 FBADRM COCCN(CC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)C(=O)[O-] ZINC000739815361 603106904 /nfs/dbraw/zinc/10/69/04/603106904.db2.gz BJKXISYVLRFHAM-GFCCVEGCSA-N -1 0 365.452 -0.067 20 0 FBADRM COCCN(CC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)C(=O)[O-] ZINC000739815362 603106600 /nfs/dbraw/zinc/10/66/00/603106600.db2.gz BJKXISYVLRFHAM-LBPRGKRZSA-N -1 0 365.452 -0.067 20 0 FBADRM COCCN(CC(=O)N1CCN(C(=O)c2ccccn2)CC1)C(=O)[O-] ZINC000739815371 603105686 /nfs/dbraw/zinc/10/56/86/603105686.db2.gz BMAMACZKRYHLSI-UHFFFAOYSA-N -1 0 350.375 -0.008 20 0 FBADRM COCCN(CC(=O)N1CCN(CC(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000739815393 603104245 /nfs/dbraw/zinc/10/42/45/603104245.db2.gz CGOIKAOSBSXEPT-UHFFFAOYSA-N -1 0 356.423 -0.621 20 0 FBADRM COCCN(CC(=O)N1CCN(CC(=O)N2CCCCC2)CC1)C(=O)[O-] ZINC000739815636 603105665 /nfs/dbraw/zinc/10/56/65/603105665.db2.gz FFWUMVJUYGKHOQ-UHFFFAOYSA-N -1 0 370.450 -0.231 20 0 FBADRM COCCN(CC(=O)N1CCCN(CC(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000739815639 603118453 /nfs/dbraw/zinc/11/84/53/603118453.db2.gz FJNYAZIOPHZZQA-UHFFFAOYSA-N -1 0 370.450 -0.231 20 0 FBADRM COCCN(CC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)C(=O)[O-] ZINC000739815658 603105534 /nfs/dbraw/zinc/10/55/34/603105534.db2.gz FXDDYKSPPLZIPO-CYBMUJFWSA-N -1 0 357.407 -0.290 20 0 FBADRM COCCN(CC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)C(=O)[O-] ZINC000739815659 603105611 /nfs/dbraw/zinc/10/56/11/603105611.db2.gz FXDDYKSPPLZIPO-ZDUSSCGKSA-N -1 0 357.407 -0.290 20 0 FBADRM COCCN(CC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000739816333 603090638 /nfs/dbraw/zinc/09/06/38/603090638.db2.gz KJKKCVGKYISUSY-LLVKDONJSA-N -1 0 351.425 -0.457 20 0 FBADRM COCCN(CC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000739816335 603090834 /nfs/dbraw/zinc/09/08/34/603090834.db2.gz KJKKCVGKYISUSY-NSHDSACASA-N -1 0 351.425 -0.457 20 0 FBADRM COCCN(CC(=O)N1CCN(C(=O)c2cccnc2)CC1)C(=O)[O-] ZINC000739816380 603093421 /nfs/dbraw/zinc/09/34/21/603093421.db2.gz LBCXLNADIFRZHN-UHFFFAOYSA-N -1 0 350.375 -0.008 20 0 FBADRM COCCN(CC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)C(=O)[O-] ZINC000739816473 603106634 /nfs/dbraw/zinc/10/66/34/603106634.db2.gz MFJDJRXOWMQPHE-LLVKDONJSA-N -1 0 351.425 -0.599 20 0 FBADRM COCCN(CC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)C(=O)[O-] ZINC000739816474 603106967 /nfs/dbraw/zinc/10/69/67/603106967.db2.gz MFJDJRXOWMQPHE-NSHDSACASA-N -1 0 351.425 -0.599 20 0 FBADRM COCCN(CC(=O)N1CCC(C(=O)N2CCOCC2)CC1)C(=O)[O-] ZINC000739816521 603104255 /nfs/dbraw/zinc/10/42/55/603104255.db2.gz OKOHTULRVOAVRB-UHFFFAOYSA-N -1 0 357.407 -0.290 20 0 FBADRM COCCN(CC(=O)N1CCN(C[C@@H]2CN(C)CCO2)C[C@H]1C)C(=O)[O-] ZINC000739816561 603110955 /nfs/dbraw/zinc/11/09/55/603110955.db2.gz NDLVMCBHMVJENL-CABCVRRESA-N -1 0 372.466 -0.524 20 0 FBADRM COCCN(CC(=O)N1CCN(C[C@@H]2CN(C)CCO2)C[C@@H]1C)C(=O)[O-] ZINC000739816564 603110995 /nfs/dbraw/zinc/11/09/95/603110995.db2.gz NDLVMCBHMVJENL-GJZGRUSLSA-N -1 0 372.466 -0.524 20 0 FBADRM COCCN(CC(=O)N1CCN(C[C@H]2CN(C)CCO2)C[C@H]1C)C(=O)[O-] ZINC000739816567 603111110 /nfs/dbraw/zinc/11/11/10/603111110.db2.gz NDLVMCBHMVJENL-HUUCEWRRSA-N -1 0 372.466 -0.524 20 0 FBADRM COCCN(CC(=O)N1CCN(C[C@H]2CN(C)CCO2)C[C@@H]1C)C(=O)[O-] ZINC000739816569 603111142 /nfs/dbraw/zinc/11/11/42/603111142.db2.gz NDLVMCBHMVJENL-LSDHHAIUSA-N -1 0 372.466 -0.524 20 0 FBADRM COCCN(CC(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1)C(=O)[O-] ZINC000739816822 603082726 /nfs/dbraw/zinc/08/27/26/603082726.db2.gz OMWKKVKYNOHXSI-JTQLQIEISA-N -1 0 353.379 -0.159 20 0 FBADRM COCCN(CC(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1)C(=O)[O-] ZINC000739816823 603082776 /nfs/dbraw/zinc/08/27/76/603082776.db2.gz OMWKKVKYNOHXSI-SNVBAGLBSA-N -1 0 353.379 -0.159 20 0 FBADRM COCCN(CC(=O)N1CCN(C(=O)c2cccn2C)CC1)C(=O)[O-] ZINC000739816928 603091956 /nfs/dbraw/zinc/09/19/56/603091956.db2.gz PYIWZDNRQXDSEA-UHFFFAOYSA-N -1 0 352.391 -0.064 20 0 FBADRM COCCN(CC(=O)NCc1cc(S(N)(=O)=O)ccc1F)C(=O)[O-] ZINC000739817223 602809699 /nfs/dbraw/zinc/80/96/99/602809699.db2.gz DGQJFKYXRCZIMI-UHFFFAOYSA-N -1 0 363.367 -0.284 20 0 FBADRM COCCN(CC(=O)NCC1(NS(C)(=O)=O)CCCCC1)C(=O)[O-] ZINC000739817426 603106346 /nfs/dbraw/zinc/10/63/46/603106346.db2.gz FVYMCNQJBIZQNZ-UHFFFAOYSA-N -1 0 365.452 -0.019 20 0 FBADRM COCCN(CC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)C(=O)[O-] ZINC000739817570 603106182 /nfs/dbraw/zinc/10/61/82/603106182.db2.gz TUTAYKLEPDOZBW-GFCCVEGCSA-N -1 0 356.423 -0.576 20 0 FBADRM COCCN(CC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)C(=O)[O-] ZINC000739817572 603106166 /nfs/dbraw/zinc/10/61/66/603106166.db2.gz TUTAYKLEPDOZBW-LBPRGKRZSA-N -1 0 356.423 -0.576 20 0 FBADRM COCCN(CC(=O)N1CCC(N(C)S(C)(=O)=O)CC1)C(=O)[O-] ZINC000739817645 603108784 /nfs/dbraw/zinc/10/87/84/603108784.db2.gz UJCFRLRASIMUON-UHFFFAOYSA-N -1 0 351.425 -0.505 20 0 FBADRM COCCN(CC(=O)NCc1ccc(S(N)(=O)=O)s1)C(=O)[O-] ZINC000739817852 603087110 /nfs/dbraw/zinc/08/71/10/603087110.db2.gz HPBHDFPCZSBIJC-UHFFFAOYSA-N -1 0 351.406 -0.362 20 0 FBADRM COCCN(CC(=O)NCC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000739817990 603097187 /nfs/dbraw/zinc/09/71/87/603097187.db2.gz GRIHGHKJPDRHMN-UHFFFAOYSA-N -1 0 351.425 -0.599 20 0 FBADRM COCCN(CC(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1)C(=O)[O-] ZINC000739818036 603098398 /nfs/dbraw/zinc/09/83/98/603098398.db2.gz UPMQAQSEPVWZJC-CYBMUJFWSA-N -1 0 357.407 -0.147 20 0 FBADRM COCCN(CC(=O)N1CCCC[C@H]1C(=O)N1CCOCC1)C(=O)[O-] ZINC000739818050 603098367 /nfs/dbraw/zinc/09/83/67/603098367.db2.gz UPMQAQSEPVWZJC-ZDUSSCGKSA-N -1 0 357.407 -0.147 20 0 FBADRM COCCN(CC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000739818145 603221167 /nfs/dbraw/zinc/22/11/67/603221167.db2.gz INIOKNGRXKASIO-GFCCVEGCSA-N -1 0 353.379 -0.342 20 0 FBADRM COCCN(CC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000739818148 603221425 /nfs/dbraw/zinc/22/14/25/603221425.db2.gz INIOKNGRXKASIO-LBPRGKRZSA-N -1 0 353.379 -0.342 20 0 FBADRM COCCN(CC(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)[O-] ZINC000739819006 603106024 /nfs/dbraw/zinc/10/60/24/603106024.db2.gz NHHXZDMYTDFMGD-UHFFFAOYSA-N -1 0 365.346 -0.050 20 0 FBADRM COCCN(CC(=O)NCCS(=O)(=O)N1CCSCC1)C(=O)[O-] ZINC000739819249 603101173 /nfs/dbraw/zinc/10/11/73/603101173.db2.gz XNBVZNFGQSCRBQ-UHFFFAOYSA-N -1 0 369.465 -0.892 20 0 FBADRM COCCN(CC(=O)N1CCc2ccc(S(N)(=O)=O)cc21)C(=O)[O-] ZINC000739819595 603207577 /nfs/dbraw/zinc/20/75/77/603207577.db2.gz DAYMKYNIAZYCBH-UHFFFAOYSA-N -1 0 357.388 -0.151 20 0 FBADRM O=C([O-])CNS(=O)(=O)c1cccc(NC(=O)c2cc[n+]([O-])cc2)c1 ZINC000739819659 600494001 /nfs/dbraw/zinc/49/40/01/600494001.db2.gz CAVSBLWFRCOTPH-UHFFFAOYSA-N -1 0 351.340 -0.065 20 0 FBADRM O=C([O-])CNS(=O)(=O)c1cccc(NC(=O)CCn2ccnn2)c1 ZINC000739819708 600248117 /nfs/dbraw/zinc/24/81/17/600248117.db2.gz DJOREMRTQJGACP-UHFFFAOYSA-N -1 0 353.360 -0.330 20 0 FBADRM COCCN(CC(=O)NC[C@@]1(N2CCOCC2)CCSC1)C(=O)[O-] ZINC000739819903 603108743 /nfs/dbraw/zinc/10/87/43/603108743.db2.gz UETKKYMABCXRLN-HNNXBMFYSA-N -1 0 361.464 -0.063 20 0 FBADRM COCCN(CC(=O)NC[C@]1(N2CCOCC2)CCSC1)C(=O)[O-] ZINC000739819907 603108570 /nfs/dbraw/zinc/10/85/70/603108570.db2.gz UETKKYMABCXRLN-OAHLLOKOSA-N -1 0 361.464 -0.063 20 0 FBADRM O=C([O-])CNS(=O)(=O)c1cccc(NS(=O)(=O)N2CCCC2)c1 ZINC000739820002 601047553 /nfs/dbraw/zinc/04/75/53/601047553.db2.gz ONHFKMOYZYKQCS-UHFFFAOYSA-N -1 0 363.417 -0.198 20 0 FBADRM COCCN(CC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)C(=O)[O-] ZINC000739820187 602818168 /nfs/dbraw/zinc/81/81/68/602818168.db2.gz VZWQKLTXHYCLGW-LLVKDONJSA-N -1 0 353.379 -0.342 20 0 FBADRM COCCN(CC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)C(=O)[O-] ZINC000739820189 602817945 /nfs/dbraw/zinc/81/79/45/602817945.db2.gz VZWQKLTXHYCLGW-NSHDSACASA-N -1 0 353.379 -0.342 20 0 FBADRM COCCN(CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC)C(=O)[O-] ZINC000739820208 603106339 /nfs/dbraw/zinc/10/63/39/603106339.db2.gz HOKZBBKLNLRCHL-UHFFFAOYSA-N -1 0 361.376 -0.093 20 0 FBADRM COCCN(CC(=O)Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)[O-] ZINC000739820912 603092073 /nfs/dbraw/zinc/09/20/73/603092073.db2.gz DKSHOSFRBQNBLK-UHFFFAOYSA-N -1 0 351.363 -0.417 20 0 FBADRM COCCN(CC(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2)C(=O)[O-] ZINC000739821289 603107426 /nfs/dbraw/zinc/10/74/26/603107426.db2.gz HEOMHWFNDZRKKV-UHFFFAOYSA-N -1 0 372.403 -0.183 20 0 FBADRM COCCN(CC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)C(=O)[O-] ZINC000739821754 603142639 /nfs/dbraw/zinc/14/26/39/603142639.db2.gz FPOHLJXCCKCHFV-UHFFFAOYSA-N -1 0 365.390 -0.545 20 0 FBADRM COCCN(CC(=O)N1CCN(c2ccc3nncn3n2)CC1)C(=O)[O-] ZINC000739821867 603232558 /nfs/dbraw/zinc/23/25/58/603232558.db2.gz HBGOKWXCUMWZLA-UHFFFAOYSA-N -1 0 363.378 -0.601 20 0 FBADRM COCCN(CC(=O)N1CCN(Cc2nnc(C)n2C)CC1)C(=O)[O-] ZINC000739822399 603056832 /nfs/dbraw/zinc/05/68/32/603056832.db2.gz JUNWVQHFKAZQTK-UHFFFAOYSA-N -1 0 354.411 -0.606 20 0 FBADRM COCCN(CC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C(=O)[O-] ZINC000739822580 603275854 /nfs/dbraw/zinc/27/58/54/603275854.db2.gz JGHUNLXOKNJUOY-UHFFFAOYSA-N -1 0 369.378 -0.693 20 0 FBADRM COCCN(CC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000739823092 603089480 /nfs/dbraw/zinc/08/94/80/603089480.db2.gz QSMCBVZFRYDLTK-UHFFFAOYSA-N -1 0 365.346 -0.803 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)cc1 ZINC000739823278 600350990 /nfs/dbraw/zinc/35/09/90/600350990.db2.gz IWHSNXADPKLLQY-UHFFFAOYSA-N -1 0 363.326 -0.646 20 0 FBADRM COCCN(CC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C(=O)[O-] ZINC000739823407 602980882 /nfs/dbraw/zinc/98/08/82/602980882.db2.gz VEVZCVNXTOICLI-UHFFFAOYSA-N -1 0 369.378 -0.693 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000739823730 596969539 /nfs/dbraw/zinc/96/95/39/596969539.db2.gz CMONIRYRBZWDOE-UHFFFAOYSA-N -1 0 363.378 -0.705 20 0 FBADRM COCCN(CC(=O)N1CCN(c2nccc(OC)n2)CC1)C(=O)[O-] ZINC000739824170 603108798 /nfs/dbraw/zinc/10/87/98/603108798.db2.gz WNGCPRVQGWLKFS-UHFFFAOYSA-N -1 0 353.379 -0.240 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)NC[C@H](O)C2CCOCC2)cc1 ZINC000739824307 600351020 /nfs/dbraw/zinc/35/10/20/600351020.db2.gz WQARXURIEZNONC-AWEZNQCLSA-N -1 0 366.370 -0.008 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)NC[C@@H](O)C2CCOCC2)cc1 ZINC000739824308 600351138 /nfs/dbraw/zinc/35/11/38/600351138.db2.gz WQARXURIEZNONC-CQSZACIVSA-N -1 0 366.370 -0.008 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000739824398 600655534 /nfs/dbraw/zinc/65/55/34/600655534.db2.gz YFARRQSOZUMWQW-UHFFFAOYSA-N -1 0 356.356 -0.655 20 0 FBADRM COCCN(CC(=O)N1CCN(c2ncccc2C(N)=O)CC1)C(=O)[O-] ZINC000739824458 603109981 /nfs/dbraw/zinc/10/99/81/603109981.db2.gz XZHJEBARYXFTMJ-UHFFFAOYSA-N -1 0 365.390 -0.545 20 0 FBADRM O=C([O-])COc1ccc(C(=O)NCC(=O)NCCN2CCOCC2)cc1 ZINC000739824526 600273359 /nfs/dbraw/zinc/27/33/59/600273359.db2.gz PZXSJRFWXHMYHP-UHFFFAOYSA-N -1 0 365.386 -0.672 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)NCCCN2C(=O)CNC2=O)cc1 ZINC000739825612 599869292 /nfs/dbraw/zinc/86/92/92/599869292.db2.gz APHAUOBRZJOURQ-UHFFFAOYSA-N -1 0 371.371 -0.630 20 0 FBADRM O=C([O-])COc1cccc(C(=O)NCC(=O)NCCN2CCOCC2)c1 ZINC000739826535 600273638 /nfs/dbraw/zinc/27/36/38/600273638.db2.gz WMBSWQGSDZNRJT-UHFFFAOYSA-N -1 0 365.386 -0.672 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)NCCCN2C(=O)CCC2=O)cc1 ZINC000739826779 599977847 /nfs/dbraw/zinc/97/78/47/599977847.db2.gz SKCZSEHZWAHHDB-UHFFFAOYSA-N -1 0 370.383 -0.033 20 0 FBADRM COCCN(CC(=O)[O-])C(=S)NCc1ccc(S(N)(=O)=O)cc1 ZINC000739827097 596965108 /nfs/dbraw/zinc/96/51/08/596965108.db2.gz RWICNMUYZKRZMT-UHFFFAOYSA-N -1 0 361.445 -0.259 20 0 FBADRM COCCN(CC(=O)O[C@H](C)C(=O)N1CCN(C(C)=O)CC1)C(=O)[O-] ZINC000739827483 603162499 /nfs/dbraw/zinc/16/24/99/603162499.db2.gz CVYYGJSICICOEU-LLVKDONJSA-N -1 0 359.379 -0.765 20 0 FBADRM COCCN(CC(=O)O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1)C(=O)[O-] ZINC000739827484 603162475 /nfs/dbraw/zinc/16/24/75/603162475.db2.gz CVYYGJSICICOEU-NSHDSACASA-N -1 0 359.379 -0.765 20 0 FBADRM COCCN(CC(=O)OC)C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739827543 603119009 /nfs/dbraw/zinc/11/90/09/603119009.db2.gz GSPWOQKCRLPXCP-UHFFFAOYSA-N -1 0 369.378 -0.145 20 0 FBADRM COCCN(CC(=O)OCC(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000739828041 603164270 /nfs/dbraw/zinc/16/42/70/603164270.db2.gz XZOXMVMAGHFSQN-UHFFFAOYSA-N -1 0 360.363 -0.479 20 0 FBADRM COCCN(Cc1ccccn1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739828127 603019356 /nfs/dbraw/zinc/01/93/56/603019356.db2.gz FJAMYKCXLUMUQK-UHFFFAOYSA-N -1 0 350.375 -0.121 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739828244 602549327 /nfs/dbraw/zinc/54/93/27/602549327.db2.gz CRJQHARPYILFTJ-GFCCVEGCSA-N -1 0 353.441 -0.242 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739828245 602549264 /nfs/dbraw/zinc/54/92/64/602549264.db2.gz CRJQHARPYILFTJ-LBPRGKRZSA-N -1 0 353.441 -0.242 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739828279 602871177 /nfs/dbraw/zinc/87/11/77/602871177.db2.gz FLGHKTKYRCLURE-RYUDHWBXSA-N -1 0 353.441 -0.101 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739828280 602871764 /nfs/dbraw/zinc/87/17/64/602871764.db2.gz FLGHKTKYRCLURE-TXEJJXNPSA-N -1 0 353.441 -0.101 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1 ZINC000739828281 602871916 /nfs/dbraw/zinc/87/19/16/602871916.db2.gz FLGHKTKYRCLURE-VXGBXAGGSA-N -1 0 353.441 -0.101 20 0 FBADRM COCCN1C[C@H](C(=O)N(C)CCN2CCN(C(=O)[O-])CC2)CC1=O ZINC000739828956 602496169 /nfs/dbraw/zinc/49/61/69/602496169.db2.gz MONAKTJELPMSAH-CYBMUJFWSA-N -1 0 356.423 -0.765 20 0 FBADRM COCCN1C[C@@H](C(=O)N(C)CCN2CCN(C(=O)[O-])CC2)CC1=O ZINC000739828957 602495878 /nfs/dbraw/zinc/49/58/78/602495878.db2.gz MONAKTJELPMSAH-ZDUSSCGKSA-N -1 0 356.423 -0.765 20 0 FBADRM COCCN(CCOC)S(=O)(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000739828996 601986723 /nfs/dbraw/zinc/98/67/23/601986723.db2.gz OJLJMIVKQHBEGM-UHFFFAOYSA-N -1 0 353.441 -0.194 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739829272 601998159 /nfs/dbraw/zinc/99/81/59/601998159.db2.gz RBWXVCWZLLNJJZ-GFCCVEGCSA-N -1 0 353.441 -0.100 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739829274 601998640 /nfs/dbraw/zinc/99/86/40/601998640.db2.gz RBWXVCWZLLNJJZ-LBPRGKRZSA-N -1 0 353.441 -0.100 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739829295 602807727 /nfs/dbraw/zinc/80/77/27/602807727.db2.gz RFSKAULYXFECPP-NEPJUHHUSA-N -1 0 353.441 -0.196 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739829298 602807705 /nfs/dbraw/zinc/80/77/05/602807705.db2.gz RFSKAULYXFECPP-NWDGAFQWSA-N -1 0 353.441 -0.196 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739829301 602807670 /nfs/dbraw/zinc/80/76/70/602807670.db2.gz RFSKAULYXFECPP-RYUDHWBXSA-N -1 0 353.441 -0.196 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739829303 602807752 /nfs/dbraw/zinc/80/77/52/602807752.db2.gz RFSKAULYXFECPP-VXGBXAGGSA-N -1 0 353.441 -0.196 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)C2CCC(NC(=O)[O-])CC2)CC1 ZINC000739829467 603183821 /nfs/dbraw/zinc/18/38/21/603183821.db2.gz BDOGIYBHEQGOIQ-UHFFFAOYSA-N -1 0 370.450 -0.280 20 0 FBADRM COCCNC(=O)CNC(=O)c1nnn(C2CCN(C(=O)[O-])CC2)c1C ZINC000739829543 602114802 /nfs/dbraw/zinc/11/48/02/602114802.db2.gz CJWKDSJMQQBVQO-UHFFFAOYSA-N -1 0 368.394 -0.606 20 0 FBADRM COCCNC(=O)CNC(=O)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739829551 603383776 /nfs/dbraw/zinc/38/37/76/603383776.db2.gz CLNOINGEPNXFHV-UHFFFAOYSA-N -1 0 356.310 -0.267 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCC(NC(=O)[O-])CC2)c1 ZINC000739829582 602974309 /nfs/dbraw/zinc/97/43/09/602974309.db2.gz DHUNPPLRNRDQLI-UHFFFAOYSA-N -1 0 374.419 -0.188 20 0 FBADRM COCCN(CC(F)F)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739829644 602394338 /nfs/dbraw/zinc/39/43/38/602394338.db2.gz SKSGUPQWBMEALM-UHFFFAOYSA-N -1 0 352.338 -0.268 20 0 FBADRM COCCN(CCOC)S(=O)(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000739829715 603086984 /nfs/dbraw/zinc/08/69/84/603086984.db2.gz USUVKCIWESCMDC-UHFFFAOYSA-N -1 0 353.441 -0.006 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)[C@@H]2CSCN2C(=O)[O-])cn1 ZINC000739830036 603291492 /nfs/dbraw/zinc/29/14/92/603291492.db2.gz DJJLWUUXNXTGBV-JTQLQIEISA-N -1 0 357.392 -0.363 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)[C@H]2CSCN2C(=O)[O-])cn1 ZINC000739830038 603291522 /nfs/dbraw/zinc/29/15/22/603291522.db2.gz DJJLWUUXNXTGBV-SNVBAGLBSA-N -1 0 357.392 -0.363 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)CC1 ZINC000739830066 603232507 /nfs/dbraw/zinc/23/25/07/603232507.db2.gz FBDFWYHPRYIVJF-KBPBESRZSA-N -1 0 370.450 -0.280 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)CC1 ZINC000739830067 603232913 /nfs/dbraw/zinc/23/29/13/603232913.db2.gz FBDFWYHPRYIVJF-KGLIPLIRSA-N -1 0 370.450 -0.280 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)CC1 ZINC000739830068 603232827 /nfs/dbraw/zinc/23/28/27/603232827.db2.gz FBDFWYHPRYIVJF-UONOGXRCSA-N -1 0 370.450 -0.280 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)CC1 ZINC000739830070 603232782 /nfs/dbraw/zinc/23/27/82/603232782.db2.gz FBDFWYHPRYIVJF-ZIAGYGMSSA-N -1 0 370.450 -0.280 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)[O-])CC2)CC1 ZINC000739830147 602267954 /nfs/dbraw/zinc/26/79/54/602267954.db2.gz GJPAJVQOQAQFKT-UHFFFAOYSA-N -1 0 356.423 -0.717 20 0 FBADRM COCCN(CCOC)S(=O)(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000739830218 601989387 /nfs/dbraw/zinc/98/93/87/601989387.db2.gz XUJQKTUTXWDODP-GFCCVEGCSA-N -1 0 353.441 -0.194 20 0 FBADRM COCCN(CCOC)S(=O)(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739830219 601989230 /nfs/dbraw/zinc/98/92/30/601989230.db2.gz XUJQKTUTXWDODP-LBPRGKRZSA-N -1 0 353.441 -0.194 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000739830288 602867442 /nfs/dbraw/zinc/86/74/42/602867442.db2.gz YPDVIKZAJHLAJG-GFCCVEGCSA-N -1 0 353.441 -0.052 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@H]1CCCCN(C(=O)[O-])C1 ZINC000739830289 602867711 /nfs/dbraw/zinc/86/77/11/602867711.db2.gz YPDVIKZAJHLAJG-LBPRGKRZSA-N -1 0 353.441 -0.052 20 0 FBADRM COCCN(Cc1cccnc1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739830582 603004312 /nfs/dbraw/zinc/00/43/12/603004312.db2.gz VVISQGALQDZJQW-UHFFFAOYSA-N -1 0 350.375 -0.121 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)NCCN(C)C(=O)[O-])cc1 ZINC000739831172 602302900 /nfs/dbraw/zinc/30/29/00/602302900.db2.gz KCRWKWNEBCVSSN-UHFFFAOYSA-N -1 0 359.404 -0.049 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2C(=O)[O-])CC1 ZINC000739831348 603184000 /nfs/dbraw/zinc/18/40/00/603184000.db2.gz NJNYKRGYRDWUSW-CYBMUJFWSA-N -1 0 356.423 -0.574 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2C(=O)[O-])CC1 ZINC000739831350 603184080 /nfs/dbraw/zinc/18/40/80/603184080.db2.gz NJNYKRGYRDWUSW-ZDUSSCGKSA-N -1 0 356.423 -0.574 20 0 FBADRM O=C([O-])COc1cccc(CNC(=O)NCCN2CCCS2(=O)=O)c1 ZINC000739831747 600644312 /nfs/dbraw/zinc/64/43/12/600644312.db2.gz PQVFMVDZRUKGJP-UHFFFAOYSA-N -1 0 371.415 -0.015 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)NC2CN(C(=O)[O-])C2)cc1 ZINC000739831782 604767159 /nfs/dbraw/zinc/76/71/59/604767159.db2.gz PANHVWCDAYWPNC-UHFFFAOYSA-N -1 0 357.388 -0.297 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])CC1 ZINC000739831843 603014417 /nfs/dbraw/zinc/01/44/17/603014417.db2.gz PNUBCYVNZIXIRL-CHWSQXEVSA-N -1 0 356.423 -0.671 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])CC1 ZINC000739831846 603014709 /nfs/dbraw/zinc/01/47/09/603014709.db2.gz PNUBCYVNZIXIRL-OLZOCXBDSA-N -1 0 356.423 -0.671 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@H]2CCC[C@H]2NC(=O)[O-])CC1 ZINC000739831850 603014268 /nfs/dbraw/zinc/01/42/68/603014268.db2.gz PNUBCYVNZIXIRL-QWHCGFSZSA-N -1 0 356.423 -0.671 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])CC1 ZINC000739831853 603014321 /nfs/dbraw/zinc/01/43/21/603014321.db2.gz PNUBCYVNZIXIRL-STQMWFEESA-N -1 0 356.423 -0.671 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)C2(NC(=O)[O-])CCCCC2)CC1 ZINC000739831888 603184257 /nfs/dbraw/zinc/18/42/57/603184257.db2.gz PXLLGELSOUKWKG-UHFFFAOYSA-N -1 0 370.450 -0.136 20 0 FBADRM COCCNC(=O)c1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1Cl ZINC000739832384 597044197 /nfs/dbraw/zinc/04/41/97/597044197.db2.gz SEGVMUUICHDBEM-UHFFFAOYSA-N -1 0 357.750 -0.145 20 0 FBADRM COCCNS(=O)(=O)c1cccc(CNC(=O)[C@H](C)NC(=O)[O-])c1 ZINC000739832753 603016259 /nfs/dbraw/zinc/01/62/59/603016259.db2.gz GNHYMCFHUQFGQW-JTQLQIEISA-N -1 0 359.404 -0.116 20 0 FBADRM COCCNS(=O)(=O)c1cccc(CNC(=O)[C@@H](C)NC(=O)[O-])c1 ZINC000739832759 603016267 /nfs/dbraw/zinc/01/62/67/603016267.db2.gz GNHYMCFHUQFGQW-SNVBAGLBSA-N -1 0 359.404 -0.116 20 0 FBADRM O=C([O-])COc1cccc(CNC(=O)NCCN2C(=O)CNC2=O)c1 ZINC000739832893 600645809 /nfs/dbraw/zinc/64/58/09/600645809.db2.gz XBTROEDJXMFRJR-UHFFFAOYSA-N -1 0 350.331 -0.499 20 0 FBADRM O=C([O-])COc1cccc(CNC(=O)NCCCN2C(=O)CNC2=O)c1 ZINC000739833058 600645800 /nfs/dbraw/zinc/64/58/00/600645800.db2.gz XWTPEFXNWAJANI-UHFFFAOYSA-N -1 0 364.358 -0.109 20 0 FBADRM COCCOCCN1C(=O)C[C@@H](N2CCC(N(C)C(=O)[O-])CC2)C1=O ZINC000739833207 602719382 /nfs/dbraw/zinc/71/93/82/602719382.db2.gz JNWKYFFSSIFHKU-CYBMUJFWSA-N -1 0 357.407 -0.149 20 0 FBADRM COCCOCCN1C(=O)C[C@H](N2CCC(N(C)C(=O)[O-])CC2)C1=O ZINC000739833210 602719369 /nfs/dbraw/zinc/71/93/69/602719369.db2.gz JNWKYFFSSIFHKU-ZDUSSCGKSA-N -1 0 357.407 -0.149 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)NC(C)(C)CNC(=O)[O-])c1 ZINC000739833214 603093749 /nfs/dbraw/zinc/09/37/49/603093749.db2.gz VUPKCYKPTYYOPQ-UHFFFAOYSA-N -1 0 362.408 -0.285 20 0 FBADRM COCCNS(=O)(=O)c1ccc(CNC(=O)CN(C)C(=O)[O-])cc1 ZINC000739833360 602325708 /nfs/dbraw/zinc/32/57/08/602325708.db2.gz WMQFWKNVBYJOCS-UHFFFAOYSA-N -1 0 359.404 -0.163 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)C2(NC(=O)[O-])CCCC2)CC1 ZINC000739834045 603184183 /nfs/dbraw/zinc/18/41/83/603184183.db2.gz YVJGGULMTBZIEM-UHFFFAOYSA-N -1 0 356.423 -0.526 20 0 FBADRM COCCNC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739834078 602285496 /nfs/dbraw/zinc/28/54/96/602285496.db2.gz ZTJNYBNAJOZMFA-UHFFFAOYSA-N -1 0 364.358 -0.456 20 0 FBADRM O=C([O-])COc1cccc(CNC(=O)CN2CCS(=O)(=O)CC2)c1 ZINC000739834379 600578540 /nfs/dbraw/zinc/57/85/40/600578540.db2.gz XHEALQBINKUOHC-UHFFFAOYSA-N -1 0 356.400 -0.503 20 0 FBADRM COCCN1CCN(C(=O)NCCN2CCN(C(=O)[O-])CC2)C[C@@H]1C ZINC000739834588 603000618 /nfs/dbraw/zinc/00/06/18/603000618.db2.gz PRTACCJIFGIHOS-AWEZNQCLSA-N -1 0 357.455 -0.356 20 0 FBADRM COCCN1CCN(C(=O)NCCN2CCN(C(=O)[O-])CC2)C[C@H]1C ZINC000739834589 603000981 /nfs/dbraw/zinc/00/09/81/603000981.db2.gz PRTACCJIFGIHOS-CQSZACIVSA-N -1 0 357.455 -0.356 20 0 FBADRM COCCOC1CCN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1 ZINC000739834756 602966959 /nfs/dbraw/zinc/96/69/59/602966959.db2.gz RFDNXACRQJSBHW-UHFFFAOYSA-N -1 0 372.422 -0.354 20 0 FBADRM COCCOc1ccc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)cn1 ZINC000739834924 602993032 /nfs/dbraw/zinc/99/30/32/602993032.db2.gz LKMORDZMHBYERS-UHFFFAOYSA-N -1 0 366.374 -0.455 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)NC2CN(C(=O)[O-])C2)c1 ZINC000739835277 604753035 /nfs/dbraw/zinc/75/30/35/604753035.db2.gz XDHJMAFSBIAYMK-UHFFFAOYSA-N -1 0 357.388 -0.297 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)NCCN(C)C(=O)[O-])c1 ZINC000739835646 602296676 /nfs/dbraw/zinc/29/66/76/602296676.db2.gz XKSDMYYYANCFAX-UHFFFAOYSA-N -1 0 359.404 -0.049 20 0 FBADRM COCCOCC(=O)NC1CCC(C(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000739835687 604759450 /nfs/dbraw/zinc/75/94/50/604759450.db2.gz YDFRMLNIXZLMKP-UHFFFAOYSA-N -1 0 357.407 -0.197 20 0 FBADRM COCCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739835899 601983312 /nfs/dbraw/zinc/98/33/12/601983312.db2.gz AHJHCGRHPZETEE-GFCCVEGCSA-N -1 0 363.436 -0.503 20 0 FBADRM COCCS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739835901 601983369 /nfs/dbraw/zinc/98/33/69/601983369.db2.gz AHJHCGRHPZETEE-LBPRGKRZSA-N -1 0 363.436 -0.503 20 0 FBADRM COCCN1CCN(C(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)CC1 ZINC000739836165 602792806 /nfs/dbraw/zinc/79/28/06/602792806.db2.gz WRNPVQQLKGRNCM-UHFFFAOYSA-N -1 0 366.422 -0.003 20 0 FBADRM COCCN1CCN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C[C@H]1C ZINC000739836269 603000548 /nfs/dbraw/zinc/00/05/48/603000548.db2.gz YHARGOKEZYPSTN-CYBMUJFWSA-N -1 0 371.438 -0.829 20 0 FBADRM COCCN1CCN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C[C@@H]1C ZINC000739836272 603000811 /nfs/dbraw/zinc/00/08/11/603000811.db2.gz YHARGOKEZYPSTN-ZDUSSCGKSA-N -1 0 371.438 -0.829 20 0 FBADRM COCCc1noc(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)n1 ZINC000739836520 603295444 /nfs/dbraw/zinc/29/54/44/603295444.db2.gz FUOVDPVHKHLLEZ-UHFFFAOYSA-N -1 0 353.335 -0.177 20 0 FBADRM COCCOc1ncccc1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739836853 603001198 /nfs/dbraw/zinc/00/11/98/603001198.db2.gz DUHZUIBNBJAQKM-UHFFFAOYSA-N -1 0 352.347 -0.133 20 0 FBADRM COCCOc1ncccc1NC(=O)C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000739837397 605114195 /nfs/dbraw/zinc/11/41/95/605114195.db2.gz JTMLIDXFDQZMKN-JTQLQIEISA-N -1 0 352.347 -0.086 20 0 FBADRM COCCOc1ncccc1NC(=O)C(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739837399 604574173 /nfs/dbraw/zinc/57/41/73/604574173.db2.gz JTMLIDXFDQZMKN-SNVBAGLBSA-N -1 0 352.347 -0.086 20 0 FBADRM COCCOc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cn1 ZINC000739837587 602646545 /nfs/dbraw/zinc/64/65/45/602646545.db2.gz HRPMEDMPRAIQOR-LLVKDONJSA-N -1 0 352.347 -0.086 20 0 FBADRM COCCOc1ccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)cn1 ZINC000739837589 602646920 /nfs/dbraw/zinc/64/69/20/602646920.db2.gz HRPMEDMPRAIQOR-NSHDSACASA-N -1 0 352.347 -0.086 20 0 FBADRM COCCOc1ncccc1CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739837818 603019778 /nfs/dbraw/zinc/01/97/78/603019778.db2.gz MGAMRYJLOGVEOD-UHFFFAOYSA-N -1 0 366.374 -0.455 20 0 FBADRM COCCS(=O)(=O)CC(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000739837859 603216581 /nfs/dbraw/zinc/21/65/81/603216581.db2.gz NFLBZCYMBZIIRM-NXEZZACHSA-N -1 0 352.409 -0.333 20 0 FBADRM COCCS(=O)(=O)CC(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000739837861 603216535 /nfs/dbraw/zinc/21/65/35/603216535.db2.gz NFLBZCYMBZIIRM-UWVGGRQHSA-N -1 0 352.409 -0.333 20 0 FBADRM COCCS(=O)(=O)CC(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000739837863 603216484 /nfs/dbraw/zinc/21/64/84/603216484.db2.gz NFLBZCYMBZIIRM-VHSXEESVSA-N -1 0 352.409 -0.333 20 0 FBADRM COCCS(=O)(=O)CC(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000739837864 603216379 /nfs/dbraw/zinc/21/63/79/603216379.db2.gz NFLBZCYMBZIIRM-ZJUUUORDSA-N -1 0 352.409 -0.333 20 0 FBADRM COCCn1cc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cn1 ZINC000739838368 602947234 /nfs/dbraw/zinc/94/72/34/602947234.db2.gz DAWJBYZNQAFVFO-CMPLNLGQSA-N -1 0 353.379 -0.027 20 0 FBADRM COCCn1cc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cn1 ZINC000739838375 602947299 /nfs/dbraw/zinc/94/72/99/602947299.db2.gz DAWJBYZNQAFVFO-JQWIXIFHSA-N -1 0 353.379 -0.027 20 0 FBADRM COCCn1cc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)cn1 ZINC000739838378 602947292 /nfs/dbraw/zinc/94/72/92/602947292.db2.gz DAWJBYZNQAFVFO-PWSUYJOCSA-N -1 0 353.379 -0.027 20 0 FBADRM COCCn1cc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cn1 ZINC000739838380 602947362 /nfs/dbraw/zinc/94/73/62/602947362.db2.gz DAWJBYZNQAFVFO-ZYHUDNBSSA-N -1 0 353.379 -0.027 20 0 FBADRM COCCOc1ccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)cn1 ZINC000739838591 604574211 /nfs/dbraw/zinc/57/42/11/604574211.db2.gz MGMUERSHVQDROS-LLVKDONJSA-N -1 0 352.347 -0.086 20 0 FBADRM COCCOc1ccc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)cn1 ZINC000739838592 605117398 /nfs/dbraw/zinc/11/73/98/605117398.db2.gz MGMUERSHVQDROS-NSHDSACASA-N -1 0 352.347 -0.086 20 0 FBADRM COCCn1cc(NC(=O)C(=O)NCC2CCN(C(=O)[O-])CC2)cn1 ZINC000739838691 602190797 /nfs/dbraw/zinc/19/07/97/602190797.db2.gz FMFYIMISWOOYSH-UHFFFAOYSA-N -1 0 353.379 -0.026 20 0 FBADRM COCCn1c(N)c(C(=O)CN2CCN(C(=O)[O-])C[C@H]2C)c(=O)[nH]c1=O ZINC000739838723 602740262 /nfs/dbraw/zinc/74/02/62/602740262.db2.gz GFWVKBDBWSMHMZ-SECBINFHSA-N -1 0 369.378 -0.956 20 0 FBADRM COCCn1c(N)c(C(=O)CN2CCN(C(=O)[O-])C[C@@H]2C)c(=O)[nH]c1=O ZINC000739838727 602740258 /nfs/dbraw/zinc/74/02/58/602740258.db2.gz GFWVKBDBWSMHMZ-VIFPVBQESA-N -1 0 369.378 -0.956 20 0 FBADRM COCCn1cc(NC(=O)C(=O)NC[C@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000739838851 602194291 /nfs/dbraw/zinc/19/42/91/602194291.db2.gz HKAGEUICPAKYEA-LLVKDONJSA-N -1 0 353.379 -0.026 20 0 FBADRM COCCn1cc(NC(=O)C(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000739839254 602194342 /nfs/dbraw/zinc/19/43/42/602194342.db2.gz HKAGEUICPAKYEA-NSHDSACASA-N -1 0 353.379 -0.026 20 0 FBADRM COCCOc1ncccc1NC(=O)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739839772 602647453 /nfs/dbraw/zinc/64/74/53/602647453.db2.gz XLNLCJDIAIVYIW-JTQLQIEISA-N -1 0 352.347 -0.086 20 0 FBADRM COCCOc1ncccc1NC(=O)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739839774 602647531 /nfs/dbraw/zinc/64/75/31/602647531.db2.gz XLNLCJDIAIVYIW-SNVBAGLBSA-N -1 0 352.347 -0.086 20 0 FBADRM COCCOc1ccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)cn1 ZINC000739839993 602991732 /nfs/dbraw/zinc/99/17/32/602991732.db2.gz SYFBVSMNWRHFAL-UHFFFAOYSA-N -1 0 352.347 -0.133 20 0 FBADRM COCCn1c(N)c(C(=O)CN2CCN(C(=O)[O-])[C@H](C)C2)c(=O)[nH]c1=O ZINC000739840048 603367365 /nfs/dbraw/zinc/36/73/65/603367365.db2.gz LHMULCBOHXZIGV-SECBINFHSA-N -1 0 369.378 -0.956 20 0 FBADRM COCCn1c(N)c(C(=O)CN2CCN(C(=O)[O-])[C@@H](C)C2)c(=O)[nH]c1=O ZINC000739840052 603367126 /nfs/dbraw/zinc/36/71/26/603367126.db2.gz LHMULCBOHXZIGV-VIFPVBQESA-N -1 0 369.378 -0.956 20 0 FBADRM COCCn1cc(NC(=O)C(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)cn1 ZINC000739840094 602478403 /nfs/dbraw/zinc/47/84/03/602478403.db2.gz LTANHUUGDLTALI-LLVKDONJSA-N -1 0 353.379 -0.026 20 0 FBADRM COCCn1cc(NC(=O)C(=O)NCC[C@H]2CCN(C(=O)[O-])C2)cn1 ZINC000739840096 602478298 /nfs/dbraw/zinc/47/82/98/602478298.db2.gz LTANHUUGDLTALI-NSHDSACASA-N -1 0 353.379 -0.026 20 0 FBADRM COCCn1c(N)c(C(=O)CN2CCC(NC(=O)[O-])CC2)c(=O)[nH]c1=O ZINC000739840575 602375343 /nfs/dbraw/zinc/37/53/43/602375343.db2.gz QMKGGLVIUPFHNH-UHFFFAOYSA-N -1 0 369.378 -0.908 20 0 FBADRM COCCn1cc(NC(=O)C(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)cn1 ZINC000739840751 602663537 /nfs/dbraw/zinc/66/35/37/602663537.db2.gz RMVCVLDYYQLPPW-LLVKDONJSA-N -1 0 353.379 -0.074 20 0 FBADRM COCCn1cc(NC(=O)C(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)cn1 ZINC000739840752 602663411 /nfs/dbraw/zinc/66/34/11/602663411.db2.gz RMVCVLDYYQLPPW-NSHDSACASA-N -1 0 353.379 -0.074 20 0 FBADRM COCCn1ccc(NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)n1 ZINC000739840758 602051564 /nfs/dbraw/zinc/05/15/64/602051564.db2.gz RURRVTFBKJBXLW-UHFFFAOYSA-N -1 0 354.367 -0.527 20 0 FBADRM COCCn1cc(C(=O)N(C)CCN2CCN(C(=O)[O-])CC2)ccc1=O ZINC000739840772 602496814 /nfs/dbraw/zinc/49/68/14/602496814.db2.gz SMXRUAQAYCRDKV-UHFFFAOYSA-N -1 0 366.418 -0.138 20 0 FBADRM COCCn1c(N)c(C(=O)CN2CCC(C(=O)[O-])CC2)c(=O)[nH]c1=O ZINC000739841002 596921941 /nfs/dbraw/zinc/92/19/41/596921941.db2.gz WDDYNGHDRAKHRZ-UHFFFAOYSA-N -1 0 354.363 -0.843 20 0 FBADRM COCCn1nc(C(=O)N(C)CCN2CCN(C(=O)[O-])CC2)ccc1=O ZINC000739841199 602494627 /nfs/dbraw/zinc/49/46/27/602494627.db2.gz YSUOCGSUJQASMO-UHFFFAOYSA-N -1 0 367.406 -0.743 20 0 FBADRM O=C([O-])CSCCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000739843325 599742581 /nfs/dbraw/zinc/74/25/81/599742581.db2.gz AQRXCXHZLYFKQD-LLVKDONJSA-N -1 0 350.462 -0.474 20 0 FBADRM O=C([O-])CSCCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000739843326 599742527 /nfs/dbraw/zinc/74/25/27/599742527.db2.gz AQRXCXHZLYFKQD-NSHDSACASA-N -1 0 350.462 -0.474 20 0 FBADRM O=C([O-])CSCCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000739843390 599741606 /nfs/dbraw/zinc/74/16/06/599741606.db2.gz CNSHNXNSTVDFOH-UHFFFAOYSA-N -1 0 359.448 -0.803 20 0 FBADRM O=C([O-])CSCCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000739843895 599964749 /nfs/dbraw/zinc/96/47/49/599964749.db2.gz GZESVHLCENZRLY-UHFFFAOYSA-N -1 0 359.448 -0.803 20 0 FBADRM O=C([O-])CSCCC(=O)N1CCN(CC(=O)Nc2nncs2)CC1 ZINC000739844739 600388642 /nfs/dbraw/zinc/38/86/42/600388642.db2.gz LIZMBJGCHWHBMV-UHFFFAOYSA-N -1 0 373.460 -0.171 20 0 FBADRM COc1c(C(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)c(C)nn1C ZINC000739844860 602709769 /nfs/dbraw/zinc/70/97/69/602709769.db2.gz IEZKJKPPGTWUGG-LLVKDONJSA-N -1 0 367.406 -0.027 20 0 FBADRM COc1c(C(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)c(C)nn1C ZINC000739844866 602709765 /nfs/dbraw/zinc/70/97/65/602709765.db2.gz IEZKJKPPGTWUGG-NSHDSACASA-N -1 0 367.406 -0.027 20 0 FBADRM O=C([O-])CSCCC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000739845318 599747274 /nfs/dbraw/zinc/74/72/74/599747274.db2.gz PAEWNJLLMVSJFJ-UHFFFAOYSA-N -1 0 357.432 -0.513 20 0 FBADRM O=C([O-])CSCCC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000739845391 600193602 /nfs/dbraw/zinc/19/36/02/600193602.db2.gz QBTXKWWHSPLPEX-UHFFFAOYSA-N -1 0 350.404 -0.019 20 0 FBADRM O=C([O-])CSCCC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000739845594 599748974 /nfs/dbraw/zinc/74/89/74/599748974.db2.gz RSZGULSCZZJDCQ-UHFFFAOYSA-N -1 0 371.415 -0.986 20 0 FBADRM O=C([O-])CSCCC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000739846191 599748078 /nfs/dbraw/zinc/74/80/78/599748078.db2.gz KVFRVGYIOALVEU-UHFFFAOYSA-N -1 0 353.448 -0.077 20 0 FBADRM O=C([O-])CSCCC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000739846301 599761102 /nfs/dbraw/zinc/76/11/02/599761102.db2.gz NFQUJNCMOPAOPE-UHFFFAOYSA-N -1 0 356.491 -0.311 20 0 FBADRM COc1c(C(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)c(C)nn1C ZINC000739846579 602708035 /nfs/dbraw/zinc/70/80/35/602708035.db2.gz UJPUYUBPVXJQDE-UHFFFAOYSA-N -1 0 353.379 -0.369 20 0 FBADRM COCc1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c1 ZINC000739846586 602043441 /nfs/dbraw/zinc/04/34/41/602043441.db2.gz PQVHMVLYKDUEHE-UHFFFAOYSA-N -1 0 371.415 -0.067 20 0 FBADRM O=C([O-])CSCCC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000739847370 600539427 /nfs/dbraw/zinc/53/94/27/600539427.db2.gz WLWMFNRBXCJFFD-GFCCVEGCSA-N -1 0 359.448 -0.756 20 0 FBADRM O=C([O-])CSCCC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000739847371 600539255 /nfs/dbraw/zinc/53/92/55/600539255.db2.gz WLWMFNRBXCJFFD-LBPRGKRZSA-N -1 0 359.448 -0.756 20 0 FBADRM COc1c(F)cc(CC(=O)NCCN(C)C(=O)[O-])cc1S(N)(=O)=O ZINC000739848053 602341727 /nfs/dbraw/zinc/34/17/27/602341727.db2.gz AGWKAROYUKFEHY-UHFFFAOYSA-N -1 0 363.367 -0.250 20 0 FBADRM COc1c(F)cc(CC(=O)NCCCNC(=O)[O-])cc1S(N)(=O)=O ZINC000739848275 602346653 /nfs/dbraw/zinc/34/66/53/602346653.db2.gz FQXXYHRJESRAMZ-UHFFFAOYSA-N -1 0 363.367 -0.202 20 0 FBADRM COc1c(F)cc(CC(=O)NC2CN(C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000739848400 604767210 /nfs/dbraw/zinc/76/72/10/604767210.db2.gz IQZIVWPRJFMUMI-UHFFFAOYSA-N -1 0 361.351 -0.497 20 0 FBADRM COc1cc(C(=O)NC2CN(C(=O)[O-])C2)cc(OC)c1OCC(N)=O ZINC000739850439 604757102 /nfs/dbraw/zinc/75/71/02/604757102.db2.gz ARKHHERAUKIFHI-UHFFFAOYSA-N -1 0 353.331 -0.340 20 0 FBADRM COc1cc(C(=O)NCC(=O)NC2CN(C(=O)[O-])C2)cc(OC)c1OC ZINC000739850539 604754816 /nfs/dbraw/zinc/75/48/16/604754816.db2.gz CYEUGBVMQPZXKR-UHFFFAOYSA-N -1 0 367.358 -0.079 20 0 FBADRM O=C([O-])CSCCC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000739851916 600289029 /nfs/dbraw/zinc/28/90/29/600289029.db2.gz IBJUZAFADJPWPI-UHFFFAOYSA-N -1 0 356.404 -0.112 20 0 FBADRM O=C([O-])CSCCC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000739854467 600913919 /nfs/dbraw/zinc/91/39/19/600913919.db2.gz XXLRNPVCASCXME-UHFFFAOYSA-N -1 0 356.404 -0.112 20 0 FBADRM COc1cc(C)nc(N2CCN(C(=O)COCCNC(=O)[O-])CC2)n1 ZINC000739855631 602665871 /nfs/dbraw/zinc/66/58/71/602665871.db2.gz DJVSTRKRFJXEKX-UHFFFAOYSA-N -1 0 353.379 -0.274 20 0 FBADRM O=C([O-])CSCCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000739856906 599887999 /nfs/dbraw/zinc/88/79/99/599887999.db2.gz DAIWMSYLQZAIDR-GFCCVEGCSA-N -1 0 359.448 -0.899 20 0 FBADRM O=C([O-])CSCCNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000739856911 599888039 /nfs/dbraw/zinc/88/80/39/599888039.db2.gz DAIWMSYLQZAIDR-LBPRGKRZSA-N -1 0 359.448 -0.899 20 0 FBADRM O=C([O-])CSCCNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000739857057 599910259 /nfs/dbraw/zinc/91/02/59/599910259.db2.gz FUXIXAHNLWXGBC-UHFFFAOYSA-N -1 0 350.360 -0.465 20 0 FBADRM O=C([O-])CSCCNC(=O)C(=O)Nc1cccnc1N1CCOCC1 ZINC000739857466 599910276 /nfs/dbraw/zinc/91/02/76/599910276.db2.gz KEISCPQYHFKRDG-UHFFFAOYSA-N -1 0 368.415 -0.209 20 0 FBADRM O=C([O-])CSCCNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000739857503 599910160 /nfs/dbraw/zinc/91/01/60/599910160.db2.gz KWPAOLWNLLWSCZ-UHFFFAOYSA-N -1 0 353.356 -0.110 20 0 FBADRM COc1cc(CCNC(=O)CN2CCN(C(=O)[O-])CC2=O)ccc1O ZINC000739857795 603102602 /nfs/dbraw/zinc/10/26/02/603102602.db2.gz UQSLLMKJUFPLDB-UHFFFAOYSA-N -1 0 351.359 -0.118 20 0 FBADRM O=C([O-])CSCCNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000739857813 600321878 /nfs/dbraw/zinc/32/18/78/600321878.db2.gz MXNVKSXHGUHYQG-UHFFFAOYSA-N -1 0 368.350 -0.326 20 0 FBADRM O=C([O-])CSCCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000739857838 600372020 /nfs/dbraw/zinc/37/20/20/600372020.db2.gz OSGVWBMWDWRVQS-UHFFFAOYSA-N -1 0 351.384 -0.155 20 0 FBADRM O=C([O-])CSCCNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000739857842 599910603 /nfs/dbraw/zinc/91/06/03/599910603.db2.gz OZFUCPGGJKGGSV-UHFFFAOYSA-N -1 0 350.360 -0.465 20 0 FBADRM O=C([O-])CSCCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000739858120 599891984 /nfs/dbraw/zinc/89/19/84/599891984.db2.gz QMWFHULQFWKSOV-UHFFFAOYSA-N -1 0 366.193 -0.355 20 0 FBADRM O=C([O-])CSCCNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000739858303 599909363 /nfs/dbraw/zinc/90/93/63/599909363.db2.gz UNRYPIFUUBCEQW-UHFFFAOYSA-N -1 0 353.356 -0.110 20 0 FBADRM O=C([O-])CSCCNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000739858385 599910680 /nfs/dbraw/zinc/91/06/80/599910680.db2.gz WYHVPEFEVYFKDA-UHFFFAOYSA-N -1 0 350.360 -0.465 20 0 FBADRM COc1cc(C)nc(N2CCN(C(=O)[C@H]3COCCN3C(=O)[O-])CC2)n1 ZINC000739858477 602891843 /nfs/dbraw/zinc/89/18/43/602891843.db2.gz ZQZVEQIFXSBQRW-GFCCVEGCSA-N -1 0 365.390 -0.179 20 0 FBADRM COc1cc(C)nc(N2CCN(C(=O)[C@@H]3COCCN3C(=O)[O-])CC2)n1 ZINC000739858478 602891807 /nfs/dbraw/zinc/89/18/07/602891807.db2.gz ZQZVEQIFXSBQRW-LBPRGKRZSA-N -1 0 365.390 -0.179 20 0 FBADRM O=C([O-])CSCCNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000739858663 599897923 /nfs/dbraw/zinc/89/79/23/599897923.db2.gz WKFJOZWKTPIBJY-UHFFFAOYSA-N -1 0 372.447 -0.720 20 0 FBADRM O=C([O-])CSCCNC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000739859135 599890488 /nfs/dbraw/zinc/89/04/88/599890488.db2.gz IBDQWIFLNCOVAW-UHFFFAOYSA-N -1 0 358.397 -0.235 20 0 FBADRM O=C([O-])CSCCNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000739859186 600252303 /nfs/dbraw/zinc/25/23/03/600252303.db2.gz JBZQYYKXPLQCLK-CYBMUJFWSA-N -1 0 373.475 -0.366 20 0 FBADRM O=C([O-])CSCCNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000739859188 600252231 /nfs/dbraw/zinc/25/22/31/600252231.db2.gz JBZQYYKXPLQCLK-ZDUSSCGKSA-N -1 0 373.475 -0.366 20 0 FBADRM O=C([O-])CSCCNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000739860157 600173238 /nfs/dbraw/zinc/17/32/38/600173238.db2.gz INKAUWJTUNHTSQ-UHFFFAOYSA-N -1 0 371.506 -0.518 20 0 FBADRM O=C([O-])CSCCNC(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000739860171 599899710 /nfs/dbraw/zinc/89/97/10/599899710.db2.gz IYCGQEHRYZGRKS-UHFFFAOYSA-N -1 0 357.436 -0.112 20 0 FBADRM COc1cc(CNC(=O)[C@H]2COCCN2C(=O)[O-])ccc1OCC(N)=O ZINC000739861786 602851945 /nfs/dbraw/zinc/85/19/45/602851945.db2.gz COOPQMWELOAMOS-LLVKDONJSA-N -1 0 367.358 -0.446 20 0 FBADRM COc1cc(CNC(=O)[C@@H]2COCCN2C(=O)[O-])ccc1OCC(N)=O ZINC000739861787 602851984 /nfs/dbraw/zinc/85/19/84/602851984.db2.gz COOPQMWELOAMOS-NSHDSACASA-N -1 0 367.358 -0.446 20 0 FBADRM COc1cc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)cc(OC)c1O ZINC000739863343 603102545 /nfs/dbraw/zinc/10/25/45/603102545.db2.gz SEKBWBKWKYRWRH-UHFFFAOYSA-N -1 0 367.358 -0.152 20 0 FBADRM COc1cc(NC(=O)C(=O)NCCS(C)(=O)=O)ccc1NC(=O)[O-] ZINC000739864399 603427574 /nfs/dbraw/zinc/42/75/74/603427574.db2.gz CAFAPIHLHPXEBV-UHFFFAOYSA-N -1 0 359.360 -0.116 20 0 FBADRM COc1cc(NC(=O)C(=O)NCC(=O)[O-])c(C(=O)N(C)C)cc1OC ZINC000739865570 597045769 /nfs/dbraw/zinc/04/57/69/597045769.db2.gz MGDOXKODDCIMAM-UHFFFAOYSA-N -1 0 353.331 -0.455 20 0 FBADRM COc1cc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)ccc1NC(=O)[O-] ZINC000739866013 603403907 /nfs/dbraw/zinc/40/39/07/603403907.db2.gz NZCLOERGZMONRP-LLVKDONJSA-N -1 0 366.330 -0.564 20 0 FBADRM COc1cc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)ccc1NC(=O)[O-] ZINC000739866014 603404044 /nfs/dbraw/zinc/40/40/44/603404044.db2.gz NZCLOERGZMONRP-NSHDSACASA-N -1 0 366.330 -0.564 20 0 FBADRM COc1cc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)ccc1NC(=O)[O-] ZINC000739866578 603155655 /nfs/dbraw/zinc/15/56/55/603155655.db2.gz SNIOVVFNEWOQDU-UHFFFAOYSA-N -1 0 371.371 -0.019 20 0 FBADRM COc1cc(NC(=O)C(=O)NCCNS(C)(=O)=O)ccc1NC(=O)[O-] ZINC000739866728 603387107 /nfs/dbraw/zinc/38/71/07/603387107.db2.gz RVCUDJQPQJOQLS-UHFFFAOYSA-N -1 0 374.375 -0.611 20 0 FBADRM O=C([O-])CSCc1cccc(NC(=O)C(=O)N2CCNC(=O)C2)c1 ZINC000739867234 600045108 /nfs/dbraw/zinc/04/51/08/600045108.db2.gz GEIOBTOTCOLCRT-UHFFFAOYSA-N -1 0 351.384 -0.099 20 0 FBADRM COc1cc(NC(=O)C(=O)NCCCS(N)(=O)=O)ccc1NC(=O)[O-] ZINC000739867983 602760027 /nfs/dbraw/zinc/76/00/27/602760027.db2.gz YFPMBSVASABTNI-UHFFFAOYSA-N -1 0 374.375 -0.482 20 0 FBADRM O=C([O-])CSCCNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000739868841 599895954 /nfs/dbraw/zinc/89/59/54/599895954.db2.gz RPSHRUQAIZCXLZ-UHFFFAOYSA-N -1 0 359.385 -0.688 20 0 FBADRM O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NCCn3cncn3)cc2)[nH]1 ZINC000739876671 599820045 /nfs/dbraw/zinc/82/00/45/599820045.db2.gz FMFUITDSNIGOFK-UHFFFAOYSA-N -1 0 356.342 -0.186 20 0 FBADRM O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N3CCCNC(=O)C3)cc2)[nH]1 ZINC000739876686 599932486 /nfs/dbraw/zinc/93/24/86/599932486.db2.gz GAKXWOUBOHTSGM-UHFFFAOYSA-N -1 0 358.354 -0.245 20 0 FBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)NCCCN2C(=O)CCC2=O)cc1 ZINC000739876755 600349387 /nfs/dbraw/zinc/34/93/87/600349387.db2.gz JBXUXDIAFNHHCM-UHFFFAOYSA-N -1 0 361.354 -0.093 20 0 FBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)cc1 ZINC000739877155 599883526 /nfs/dbraw/zinc/88/35/26/599883526.db2.gz MOOSNJQCHIJJAZ-UHFFFAOYSA-N -1 0 362.342 -0.690 20 0 FBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)N2CCO[C@H](Cn3cncn3)C2)cc1 ZINC000739878104 600472280 /nfs/dbraw/zinc/47/22/80/600472280.db2.gz XAPRVXBLHFRXCK-AWEZNQCLSA-N -1 0 373.369 -0.229 20 0 FBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](Cn3cncn3)C2)cc1 ZINC000739878106 600472406 /nfs/dbraw/zinc/47/24/06/600472406.db2.gz XAPRVXBLHFRXCK-CQSZACIVSA-N -1 0 373.369 -0.229 20 0 FBADRM COc1ccc(C(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)nn1 ZINC000739882511 602828514 /nfs/dbraw/zinc/82/85/14/602828514.db2.gz ZXOKHVWMVJLHBP-JTQLQIEISA-N -1 0 351.363 -0.279 20 0 FBADRM COc1ccc(C(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)nn1 ZINC000739882512 602828581 /nfs/dbraw/zinc/82/85/81/602828581.db2.gz ZXOKHVWMVJLHBP-SNVBAGLBSA-N -1 0 351.363 -0.279 20 0 FBADRM COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NCC(=O)[O-] ZINC000739882901 597047572 /nfs/dbraw/zinc/04/75/72/597047572.db2.gz MPWZTDUFMVUFRK-UHFFFAOYSA-N -1 0 365.342 -0.693 20 0 FBADRM COc1ccc(C(=O)NCCNC(=O)[C@H]2COCCN2C(=O)[O-])cc1 ZINC000739884085 602855543 /nfs/dbraw/zinc/85/55/43/602855543.db2.gz HOCPREVZNWNVML-CYBMUJFWSA-N -1 0 351.359 -0.080 20 0 FBADRM COc1ccc(C(=O)NCCNC(=O)[C@@H]2COCCN2C(=O)[O-])cc1 ZINC000739884089 602855468 /nfs/dbraw/zinc/85/54/68/602855468.db2.gz HOCPREVZNWNVML-ZDUSSCGKSA-N -1 0 351.359 -0.080 20 0 FBADRM O=C([O-])Cc1ccc(S(=O)(=O)NCCS(=O)(=O)NC2CC2)cc1 ZINC000739884247 600648016 /nfs/dbraw/zinc/64/80/16/600648016.db2.gz WFNGOFMEMMYHMP-UHFFFAOYSA-N -1 0 362.429 -0.326 20 0 FBADRM O=C([O-])Cc1ccc(S(=O)(=O)NCCCN2C(=O)CNC2=O)cc1 ZINC000739884362 600650721 /nfs/dbraw/zinc/65/07/21/600650721.db2.gz YCCLXPMLOKLICV-UHFFFAOYSA-N -1 0 355.372 -0.466 20 0 FBADRM COc1ccc(C(=O)NC(=O)COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000739884463 603148199 /nfs/dbraw/zinc/14/81/99/603148199.db2.gz UDQHSAQSZYMJSR-CMPLNLGQSA-N -1 0 366.326 -0.392 20 0 FBADRM COc1ccc(C(=O)NC(=O)COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000739884467 603148355 /nfs/dbraw/zinc/14/83/55/603148355.db2.gz UDQHSAQSZYMJSR-JQWIXIFHSA-N -1 0 366.326 -0.392 20 0 FBADRM COc1ccc(C(=O)NC(=O)COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000739884473 603148342 /nfs/dbraw/zinc/14/83/42/603148342.db2.gz UDQHSAQSZYMJSR-PWSUYJOCSA-N -1 0 366.326 -0.392 20 0 FBADRM COc1ccc(C(=O)NC(=O)COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000739884478 603148371 /nfs/dbraw/zinc/14/83/71/603148371.db2.gz UDQHSAQSZYMJSR-ZYHUDNBSSA-N -1 0 366.326 -0.392 20 0 FBADRM O=C([O-])Cc1ccc(S(=O)(=O)N2CCO[C@H](Cn3cncn3)C2)cc1 ZINC000739884479 600416084 /nfs/dbraw/zinc/41/60/84/600416084.db2.gz YVXWBVXZFPPWNF-CYBMUJFWSA-N -1 0 366.399 -0.005 20 0 FBADRM O=C([O-])Cc1ccc(S(=O)(=O)N2CCO[C@@H](Cn3cncn3)C2)cc1 ZINC000739884485 600416098 /nfs/dbraw/zinc/41/60/98/600416098.db2.gz YVXWBVXZFPPWNF-ZDUSSCGKSA-N -1 0 366.399 -0.005 20 0 FBADRM COc1ccc(C(=O)NCCNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000739886223 603072231 /nfs/dbraw/zinc/07/22/31/603072231.db2.gz RQEAJZSKPLHLGY-AAEUAGOBSA-N -1 0 351.359 -0.346 20 0 FBADRM COc1ccc(C(=O)NCCNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000739886225 603072291 /nfs/dbraw/zinc/07/22/91/603072291.db2.gz RQEAJZSKPLHLGY-DGCLKSJQSA-N -1 0 351.359 -0.346 20 0 FBADRM COc1ccc(C(=O)NCCNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000739886228 603071808 /nfs/dbraw/zinc/07/18/08/603071808.db2.gz RQEAJZSKPLHLGY-WCQYABFASA-N -1 0 351.359 -0.346 20 0 FBADRM COc1ccc(C(=O)NCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000739886229 603072062 /nfs/dbraw/zinc/07/20/62/603072062.db2.gz RQEAJZSKPLHLGY-YPMHNXCESA-N -1 0 351.359 -0.346 20 0 FBADRM COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN(C)CC(=O)[O-])C2=O)cc1 ZINC000739890448 596906540 /nfs/dbraw/zinc/90/65/40/596906540.db2.gz WTBKSCGMNDGHQI-INIZCTEOSA-N -1 0 364.358 -0.490 20 0 FBADRM COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN(C)CC(=O)[O-])C2=O)cc1 ZINC000739890449 596906616 /nfs/dbraw/zinc/90/66/16/596906616.db2.gz WTBKSCGMNDGHQI-MRXNPFEDSA-N -1 0 364.358 -0.490 20 0 FBADRM COc1ccc([C@H](O)CNC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000739895550 603101214 /nfs/dbraw/zinc/10/12/14/603101214.db2.gz VNAQFNHIRZSAFS-CYBMUJFWSA-N -1 0 351.359 -0.333 20 0 FBADRM COc1ccc([C@@H](O)CNC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000739895551 603101243 /nfs/dbraw/zinc/10/12/43/603101243.db2.gz VNAQFNHIRZSAFS-ZDUSSCGKSA-N -1 0 351.359 -0.333 20 0 FBADRM O=C([O-])Cn1cc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cn1 ZINC000739899391 600525717 /nfs/dbraw/zinc/52/57/17/600525717.db2.gz MEQXLUBCYDIALG-UHFFFAOYSA-N -1 0 351.344 -0.596 20 0 FBADRM O=C([O-])Cc1nc(NC(=O)CNC(=O)c2cnc3ccccc3c2O)n[nH]1 ZINC000739899677 600534886 /nfs/dbraw/zinc/53/48/86/600534886.db2.gz CKAJYFSCCCDACT-UHFFFAOYSA-N -1 0 370.325 -0.358 20 0 FBADRM O=C([O-])Cc1nc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)n[nH]1 ZINC000739899693 600536418 /nfs/dbraw/zinc/53/64/18/600536418.db2.gz DPLDHPGWEVBGTD-UHFFFAOYSA-N -1 0 358.314 -0.124 20 0 FBADRM O=C([O-])Cc1nc(NC(=O)c2nc3ncc(Br)cn3n2)n[nH]1 ZINC000739900106 600181903 /nfs/dbraw/zinc/18/19/03/600181903.db2.gz ZSVGYDZVJRAFOB-UHFFFAOYSA-N -1 0 367.123 -0.116 20 0 FBADRM O=C([O-])Cc1nc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)n[nH]1 ZINC000739900208 600535621 /nfs/dbraw/zinc/53/56/21/600535621.db2.gz JDHCEAQTRIPLLJ-UHFFFAOYSA-N -1 0 350.335 -0.375 20 0 FBADRM O=C([O-])Cc1nc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)n[nH]1 ZINC000739900571 600579333 /nfs/dbraw/zinc/57/93/33/600579333.db2.gz MPIKBNWEZXZCHW-UHFFFAOYSA-N -1 0 371.350 -0.122 20 0 FBADRM O=C([O-])Cc1nc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)n[nH]1 ZINC000739900589 600182072 /nfs/dbraw/zinc/18/20/72/600182072.db2.gz MYQBNTDQECPPCM-UHFFFAOYSA-N -1 0 350.335 -0.375 20 0 FBADRM O=C([O-])Cc1nc(NC(=O)CSc2nnnn2CC(F)(F)F)n[nH]1 ZINC000739900622 600182935 /nfs/dbraw/zinc/18/29/35/600182935.db2.gz NIVLZRXBYYMJNI-UHFFFAOYSA-N -1 0 366.285 -0.289 20 0 FBADRM O=C([O-])Cc1nc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)n[nH]1 ZINC000739901259 600536516 /nfs/dbraw/zinc/53/65/16/600536516.db2.gz PKEZWFSSYMVXHB-UHFFFAOYSA-N -1 0 358.314 -0.124 20 0 FBADRM O=C([O-])Cc1nc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)n[nH]1 ZINC000739901507 600184897 /nfs/dbraw/zinc/18/48/97/600184897.db2.gz RSEPSWJUFGNMIX-UHFFFAOYSA-N -1 0 365.327 -0.785 20 0 FBADRM O=C([O-])Cc1nc(NC(=O)CCNS(=O)(=O)c2ccccc2)n[nH]1 ZINC000739902888 600535755 /nfs/dbraw/zinc/53/57/55/600535755.db2.gz YUFBFXYEWVLGES-UHFFFAOYSA-N -1 0 353.360 -0.261 20 0 FBADRM O=C([O-])Cc1nc(NC(=O)CCNS(=O)(=O)c2cccs2)n[nH]1 ZINC000739902898 600183576 /nfs/dbraw/zinc/18/35/76/600183576.db2.gz YWGASJQBOWCVDH-UHFFFAOYSA-N -1 0 359.389 -0.200 20 0 FBADRM COc1ccc(CNC(=O)COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000739906944 603151473 /nfs/dbraw/zinc/15/14/73/603151473.db2.gz JOKRYFNNAYVPGH-AAEUAGOBSA-N -1 0 352.343 -0.032 20 0 FBADRM COc1ccc(CNC(=O)COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000739906945 603151454 /nfs/dbraw/zinc/15/14/54/603151454.db2.gz JOKRYFNNAYVPGH-DGCLKSJQSA-N -1 0 352.343 -0.032 20 0 FBADRM COc1ccc(CNC(=O)COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000739906946 603151431 /nfs/dbraw/zinc/15/14/31/603151431.db2.gz JOKRYFNNAYVPGH-WCQYABFASA-N -1 0 352.343 -0.032 20 0 FBADRM COc1ccc(CNC(=O)COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000739906947 603151363 /nfs/dbraw/zinc/15/13/63/603151363.db2.gz JOKRYFNNAYVPGH-YPMHNXCESA-N -1 0 352.343 -0.032 20 0 FBADRM O=C([O-])Cc1nc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)n[nH]1 ZINC000739908427 600180728 /nfs/dbraw/zinc/18/07/28/600180728.db2.gz BYJPQOINPVLCDE-UHFFFAOYSA-N -1 0 373.123 -0.905 20 0 FBADRM O=C([O-])Cc1nc(NC(=O)Cn2cc(Br)ccc2=O)n[nH]1 ZINC000739909370 600537781 /nfs/dbraw/zinc/53/77/81/600537781.db2.gz HTLUIMTZTCRUMU-UHFFFAOYSA-N -1 0 356.136 -0.005 20 0 FBADRM COc1ccc(CNC(=O)CNC(=O)[C@H]2COCCN2C(=O)[O-])cc1 ZINC000739910057 602865152 /nfs/dbraw/zinc/86/51/52/602865152.db2.gz URYLNWQXVCWDSP-CYBMUJFWSA-N -1 0 351.359 -0.194 20 0 FBADRM COc1ccc(CNC(=O)CNC(=O)[C@@H]2COCCN2C(=O)[O-])cc1 ZINC000739910063 602865036 /nfs/dbraw/zinc/86/50/36/602865036.db2.gz URYLNWQXVCWDSP-ZDUSSCGKSA-N -1 0 351.359 -0.194 20 0 FBADRM O=C([O-])Cc1nc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)n[nH]1 ZINC000739910833 600183460 /nfs/dbraw/zinc/18/34/60/600183460.db2.gz RGVKSUYHJVBTSC-UHFFFAOYSA-N -1 0 358.314 -0.264 20 0 FBADRM O=C([O-])Cc1nc(NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)n[nH]1 ZINC000739911123 600183337 /nfs/dbraw/zinc/18/33/37/600183337.db2.gz WHKMUACIMGUGBY-UHFFFAOYSA-N -1 0 358.314 -0.264 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)NCC(=O)OCc2ccccc2)cn1 ZINC000739911527 600689091 /nfs/dbraw/zinc/68/90/91/600689091.db2.gz AZCFOZMEXZPAAT-UHFFFAOYSA-N -1 0 353.356 -0.011 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)Oc2cccc(-n3cnnn3)c2)cn1 ZINC000739911637 600691285 /nfs/dbraw/zinc/69/12/85/600691285.db2.gz JBSRGZKZLXGVDD-UHFFFAOYSA-N -1 0 350.316 -0.289 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)n1 ZINC000739911807 599736662 /nfs/dbraw/zinc/73/66/62/599736662.db2.gz LXZAVUBRXZTXBB-UHFFFAOYSA-N -1 0 351.344 -0.596 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cn1 ZINC000739911835 600687131 /nfs/dbraw/zinc/68/71/31/600687131.db2.gz OBRQMPYGZOQMBA-UHFFFAOYSA-N -1 0 368.371 -0.293 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)Oc2ccc(-n3cnnn3)cc2)cn1 ZINC000739912050 600690171 /nfs/dbraw/zinc/69/01/71/600690171.db2.gz VLPOEYZWLNEZKF-UHFFFAOYSA-N -1 0 350.316 -0.289 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000739913145 600571028 /nfs/dbraw/zinc/57/10/28/600571028.db2.gz MMRWYCJJFUDPRE-LLVKDONJSA-N -1 0 351.363 -0.177 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000739913146 600570992 /nfs/dbraw/zinc/57/09/92/600570992.db2.gz MMRWYCJJFUDPRE-NSHDSACASA-N -1 0 351.363 -0.177 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)n1 ZINC000739913297 599742323 /nfs/dbraw/zinc/74/23/23/599742323.db2.gz QRSFNAFZUPMZAJ-UHFFFAOYSA-N -1 0 372.135 -0.369 20 0 FBADRM COc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)[O-])CC2)cn1 ZINC000739914368 602211473 /nfs/dbraw/zinc/21/14/73/602211473.db2.gz FCFBOAILHGGTTO-UHFFFAOYSA-N -1 0 351.363 -0.560 20 0 FBADRM COc1ccc(NC(=O)C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)cc1 ZINC000739914516 602954049 /nfs/dbraw/zinc/95/40/49/602954049.db2.gz HXZZMIJGIVSKSN-UHFFFAOYSA-N -1 0 364.358 -0.428 20 0 FBADRM COc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000739914954 597075842 /nfs/dbraw/zinc/07/58/42/597075842.db2.gz IXNRLLCORFHLAK-UHFFFAOYSA-N -1 0 371.371 -0.725 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)n1 ZINC000739915352 599783108 /nfs/dbraw/zinc/78/31/08/599783108.db2.gz JEBHBQLJLDRVLN-GFCCVEGCSA-N -1 0 365.390 -0.913 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)n1 ZINC000739915354 599783017 /nfs/dbraw/zinc/78/30/17/599783017.db2.gz JEBHBQLJLDRVLN-LBPRGKRZSA-N -1 0 365.390 -0.913 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)n1 ZINC000739915368 599741874 /nfs/dbraw/zinc/74/18/74/599741874.db2.gz KYLGJPJPLJOLKQ-UHFFFAOYSA-N -1 0 364.339 -0.249 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)n1 ZINC000739915444 599737205 /nfs/dbraw/zinc/73/72/05/599737205.db2.gz RJYYHKWJJOBFOU-UHFFFAOYSA-N -1 0 351.344 -0.596 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)CCNS(=O)(=O)c2cccnc2)n1 ZINC000739915485 599741954 /nfs/dbraw/zinc/74/19/54/599741954.db2.gz UIJQVXOIIDTEOG-UHFFFAOYSA-N -1 0 353.360 -0.330 20 0 FBADRM COc1ccc(NC(=O)C(=O)NCCS(C)(=O)=O)cc1NC(=O)[O-] ZINC000739916709 603428116 /nfs/dbraw/zinc/42/81/16/603428116.db2.gz WLULYGIJGABMSQ-UHFFFAOYSA-N -1 0 359.360 -0.116 20 0 FBADRM COc1ccc(NC(=O)C(=O)NCCCS(N)(=O)=O)cc1NC(=O)[O-] ZINC000739916717 602760396 /nfs/dbraw/zinc/76/03/96/602760396.db2.gz WVHBZIUAOXXXOQ-UHFFFAOYSA-N -1 0 374.375 -0.482 20 0 FBADRM COc1ccc(NC(=O)C(=O)NCCNC(=O)[O-])cc1-n1nnnc1C ZINC000739916733 602288056 /nfs/dbraw/zinc/28/80/56/602288056.db2.gz XMPMQHCIKFZRIT-UHFFFAOYSA-N -1 0 363.334 -0.698 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)cc1NC(=O)[O-] ZINC000739916761 603156281 /nfs/dbraw/zinc/15/62/81/603156281.db2.gz YJGXQWNFKFCVRR-UHFFFAOYSA-N -1 0 371.371 -0.019 20 0 FBADRM COc1ccc(NC(=O)C(=O)NCCCN2CCN(C(=O)[O-])CC2)cn1 ZINC000739916766 602760425 /nfs/dbraw/zinc/76/04/25/602760425.db2.gz YVTAUHIYPIYXSV-UHFFFAOYSA-N -1 0 365.390 -0.169 20 0 FBADRM O=C([O-])Cn1ncc2c1ncn(CC(=O)NCCOc1ccccc1)c2=O ZINC000739918852 600030970 /nfs/dbraw/zinc/03/09/70/600030970.db2.gz CSYIAOGOVDBAEZ-UHFFFAOYSA-N -1 0 371.353 -0.127 20 0 FBADRM O=C([O-])Cn1ncc2c1ncn(CC(=O)NC(=O)NCc1ccco1)c2=O ZINC000739919611 600032647 /nfs/dbraw/zinc/03/26/47/600032647.db2.gz HTCXVSKPSSZNCD-UHFFFAOYSA-N -1 0 374.313 -0.703 20 0 FBADRM O=C([O-])Cn1ncc2c1ncn(CCN1C(=O)c3ccccc3C1=O)c2=O ZINC000739919669 600031644 /nfs/dbraw/zinc/03/16/44/600031644.db2.gz IZEADMCKRAOPGC-UHFFFAOYSA-N -1 0 367.321 -0.026 20 0 FBADRM O=C([O-])Cn1ncc2c1ncn(Cc1nnnn1Cc1ccccc1)c2=O ZINC000739919732 600030749 /nfs/dbraw/zinc/03/07/49/600030749.db2.gz KDVGMEKMUYSJPB-UHFFFAOYSA-N -1 0 366.341 -0.239 20 0 FBADRM O=C([O-])Cn1ncc2c1ncn(CCn1nc3ccccn3c1=O)c2=O ZINC000739919757 600030923 /nfs/dbraw/zinc/03/09/23/600030923.db2.gz KSMLJGIGIFKGOC-UHFFFAOYSA-N -1 0 355.314 -0.813 20 0 FBADRM O=C([O-])Cn1ncc2c1ncn(Cc1nnnn1-c1ccccc1)c2=O ZINC000739921153 600032162 /nfs/dbraw/zinc/03/21/62/600032162.db2.gz SYEMWOBDNXJODI-UHFFFAOYSA-N -1 0 352.314 -0.298 20 0 FBADRM O=C([O-])Cn1ncc2c1ncn(CC(=O)NC(=O)NC1CCCC1)c2=O ZINC000739921168 600030899 /nfs/dbraw/zinc/03/08/99/600030899.db2.gz TYCZDUAIIRRGSS-UHFFFAOYSA-N -1 0 362.346 -0.554 20 0 FBADRM COc1ccc(NC(=O)[C@@H]2COCCN2C(=O)[O-])cc1OCC(N)=O ZINC000739921297 602849288 /nfs/dbraw/zinc/84/92/88/602849288.db2.gz QERQXHUYZABAOZ-JTQLQIEISA-N -1 0 353.331 -0.123 20 0 FBADRM COc1ccc(NC(=O)[C@H]2COCCN2C(=O)[O-])cc1OCC(N)=O ZINC000739921300 602849253 /nfs/dbraw/zinc/84/92/53/602849253.db2.gz QERQXHUYZABAOZ-SNVBAGLBSA-N -1 0 353.331 -0.123 20 0 FBADRM O=C([O-])Cn1ncc2c1ncn(Cc1cc(=O)n3ccccc3n1)c2=O ZINC000739921596 600033057 /nfs/dbraw/zinc/03/30/57/600033057.db2.gz VWTZUXVMQDUNRM-UHFFFAOYSA-N -1 0 352.310 -0.266 20 0 FBADRM COc1ccc(NC(=O)COC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000739922106 603107849 /nfs/dbraw/zinc/10/78/49/603107849.db2.gz LFHZQXNMFRAGAG-UHFFFAOYSA-N -1 0 365.342 -0.001 20 0 FBADRM O=C([O-])N1CCC[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000739927186 603241828 /nfs/dbraw/zinc/24/18/28/603241828.db2.gz NYZZQPMFEGUFMR-MRVPVSSYSA-N -1 0 368.371 -0.363 20 0 FBADRM O=C([O-])N1CCC[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000739927187 605630738 /nfs/dbraw/zinc/63/07/38/605630738.db2.gz NYZZQPMFEGUFMR-QMMMGPOBSA-N -1 0 368.371 -0.363 20 0 FBADRM COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCC(=O)[O-] ZINC000739928143 597044081 /nfs/dbraw/zinc/04/40/81/597044081.db2.gz DLOVGJRNCNPKQA-UHFFFAOYSA-N -1 0 359.360 -0.915 20 0 FBADRM COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NCC(=O)[O-] ZINC000739932535 597044666 /nfs/dbraw/zinc/04/46/66/597044666.db2.gz MANNJMBAVLMWBL-UHFFFAOYSA-N -1 0 371.371 -0.725 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CN(C(=O)[O-])C2)cc1 ZINC000739934200 604761183 /nfs/dbraw/zinc/76/11/83/604761183.db2.gz YIZWBLUDEOOWKF-VIFPVBQESA-N -1 0 357.388 -0.160 20 0 FBADRM O=C([O-])NCCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000739938191 599742564 /nfs/dbraw/zinc/74/25/64/599742564.db2.gz OHBJXSHYZZFTTL-UHFFFAOYSA-N -1 0 371.415 -0.019 20 0 FBADRM O=C([O-])NCCC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000739943361 599723550 /nfs/dbraw/zinc/72/35/50/599723550.db2.gz YVBMONDAVITPDN-UHFFFAOYSA-N -1 0 366.399 -0.063 20 0 FBADRM COc1cccc(C(=O)NCCNC(=O)[C@H]2COCCN2C(=O)[O-])c1 ZINC000739945450 602836098 /nfs/dbraw/zinc/83/60/98/602836098.db2.gz KXVKHPNIYWSOOY-CYBMUJFWSA-N -1 0 351.359 -0.080 20 0 FBADRM COc1cccc(C(=O)NCCNC(=O)[C@@H]2COCCN2C(=O)[O-])c1 ZINC000739945452 602837371 /nfs/dbraw/zinc/83/73/71/602837371.db2.gz KXVKHPNIYWSOOY-ZDUSSCGKSA-N -1 0 351.359 -0.080 20 0 FBADRM COc1cccc(CNC(=O)COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000739946820 603144553 /nfs/dbraw/zinc/14/45/53/603144553.db2.gz MMSJHGQCALQTMD-AAEUAGOBSA-N -1 0 352.343 -0.032 20 0 FBADRM COc1cccc(CNC(=O)COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000739946824 603144670 /nfs/dbraw/zinc/14/46/70/603144670.db2.gz MMSJHGQCALQTMD-DGCLKSJQSA-N -1 0 352.343 -0.032 20 0 FBADRM COc1cccc(CNC(=O)COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000739946826 603144551 /nfs/dbraw/zinc/14/45/51/603144551.db2.gz MMSJHGQCALQTMD-WCQYABFASA-N -1 0 352.343 -0.032 20 0 FBADRM COc1cccc(CNC(=O)COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000739946827 603144662 /nfs/dbraw/zinc/14/46/62/603144662.db2.gz MMSJHGQCALQTMD-YPMHNXCESA-N -1 0 352.343 -0.032 20 0 FBADRM O=C([O-])NCCC(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000739947082 599720884 /nfs/dbraw/zinc/72/08/84/599720884.db2.gz QMHPVZHWDHFBCE-UHFFFAOYSA-N -1 0 370.387 -0.597 20 0 FBADRM O=C([O-])NCCC(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000739947999 600200954 /nfs/dbraw/zinc/20/09/54/600200954.db2.gz FNGDRNOVXIATJA-UHFFFAOYSA-N -1 0 353.331 -0.235 20 0 FBADRM COc1cccc(CS(=O)(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c1 ZINC000739951116 603024084 /nfs/dbraw/zinc/02/40/84/603024084.db2.gz QKLOCLVLSZXDKM-UHFFFAOYSA-N -1 0 371.415 -0.063 20 0 FBADRM COc1cccc([C@H](O)CNC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000739951187 603102534 /nfs/dbraw/zinc/10/25/34/603102534.db2.gz QZIZODSUXVVIOW-CYBMUJFWSA-N -1 0 351.359 -0.333 20 0 FBADRM COc1cccc([C@@H](O)CNC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000739951189 603102845 /nfs/dbraw/zinc/10/28/45/603102845.db2.gz QZIZODSUXVVIOW-ZDUSSCGKSA-N -1 0 351.359 -0.333 20 0 FBADRM COc1cccc(NC(=O)COC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000739951450 603108240 /nfs/dbraw/zinc/10/82/40/603108240.db2.gz FICZAAUTHXJKMW-UHFFFAOYSA-N -1 0 365.342 -0.001 20 0 FBADRM COc1cccc(NC(=O)C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c1 ZINC000739954474 602763111 /nfs/dbraw/zinc/76/31/11/602763111.db2.gz YTLGDIVOCHBQOO-UHFFFAOYSA-N -1 0 364.358 -0.428 20 0 FBADRM O=C([O-])NCCCC(=O)N1CCN(CC(=O)Nc2nncs2)CC1 ZINC000739954728 603054210 /nfs/dbraw/zinc/05/42/10/603054210.db2.gz SNOLWNCBFFPVQD-UHFFFAOYSA-N -1 0 356.408 -0.331 20 0 FBADRM COc1ccccc1[C@H](CNC(=O)CN1CC(=O)NC1=O)NC(=O)[O-] ZINC000739956552 602588288 /nfs/dbraw/zinc/58/82/88/602588288.db2.gz FXXAZKHQABNLIY-JTQLQIEISA-N -1 0 350.331 -0.328 20 0 FBADRM COc1ccccc1[C@@H](CNC(=O)CN1CC(=O)NC1=O)NC(=O)[O-] ZINC000739956553 602588552 /nfs/dbraw/zinc/58/85/52/602588552.db2.gz FXXAZKHQABNLIY-SNVBAGLBSA-N -1 0 350.331 -0.328 20 0 FBADRM O=C([O-])NCCCC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000739958034 602251309 /nfs/dbraw/zinc/25/13/09/602251309.db2.gz ALSIUEADXUMMIW-UHFFFAOYSA-N -1 0 364.406 -0.321 20 0 FBADRM O=C([O-])NCCCC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000739958685 599723384 /nfs/dbraw/zinc/72/33/84/599723384.db2.gz IVTUZJXMXCSBSO-UHFFFAOYSA-N -1 0 362.386 -0.077 20 0 FBADRM O=C([O-])NCCCC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000739959138 600209870 /nfs/dbraw/zinc/20/98/70/600209870.db2.gz MOOONHDUWIRHOQ-LLVKDONJSA-N -1 0 351.425 -0.361 20 0 FBADRM O=C([O-])NCCCC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000739959139 600209797 /nfs/dbraw/zinc/20/97/97/600209797.db2.gz MOOONHDUWIRHOQ-NSHDSACASA-N -1 0 351.425 -0.361 20 0 FBADRM COc1cccc2c1OC[C@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)C2 ZINC000739961888 603001091 /nfs/dbraw/zinc/00/10/91/603001091.db2.gz WNWFJOHWKQMKIW-GFCCVEGCSA-N -1 0 363.370 -0.063 20 0 FBADRM COc1cccc2c1OC[C@@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)C2 ZINC000739961889 603000982 /nfs/dbraw/zinc/00/09/82/603000982.db2.gz WNWFJOHWKQMKIW-LBPRGKRZSA-N -1 0 363.370 -0.063 20 0 FBADRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000739963396 603299280 /nfs/dbraw/zinc/29/92/80/603299280.db2.gz KVYFJUSAQDWELG-BDJLRTHQSA-N -1 0 362.342 -0.186 20 0 FBADRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000739963397 603299418 /nfs/dbraw/zinc/29/94/18/603299418.db2.gz KVYFJUSAQDWELG-BZNIZROVSA-N -1 0 362.342 -0.186 20 0 FBADRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000739963398 603299399 /nfs/dbraw/zinc/29/93/99/603299399.db2.gz KVYFJUSAQDWELG-MEDUHNTESA-N -1 0 362.342 -0.186 20 0 FBADRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000739963399 603299217 /nfs/dbraw/zinc/29/92/17/603299217.db2.gz KVYFJUSAQDWELG-ZBEGNZNMSA-N -1 0 362.342 -0.186 20 0 FBADRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NCCN1C(=O)CNC1=O ZINC000739967576 602909703 /nfs/dbraw/zinc/90/97/03/602909703.db2.gz PGWPZOIWCZQZCN-GFCCVEGCSA-N -1 0 350.331 -0.328 20 0 FBADRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)NCCN1C(=O)CNC1=O ZINC000739967578 602909527 /nfs/dbraw/zinc/90/95/27/602909527.db2.gz PGWPZOIWCZQZCN-LBPRGKRZSA-N -1 0 350.331 -0.328 20 0 FBADRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000739967617 602940346 /nfs/dbraw/zinc/94/03/46/602940346.db2.gz CMJQQIMVEQVBDO-AWEZNQCLSA-N -1 0 365.342 -0.495 20 0 FBADRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000739967620 602940567 /nfs/dbraw/zinc/94/05/67/602940567.db2.gz CMJQQIMVEQVBDO-CQSZACIVSA-N -1 0 365.342 -0.495 20 0 FBADRM COc1ccccc1[C@H](O)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739968426 603101327 /nfs/dbraw/zinc/10/13/27/603101327.db2.gz JEAMGPAUMCJBDW-GFCCVEGCSA-N -1 0 351.359 -0.333 20 0 FBADRM COc1ccccc1[C@@H](O)CNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739968429 603101208 /nfs/dbraw/zinc/10/12/08/603101208.db2.gz JEAMGPAUMCJBDW-LBPRGKRZSA-N -1 0 351.359 -0.333 20 0 FBADRM COc1ccccc1CN(CCO)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739976041 603101431 /nfs/dbraw/zinc/10/14/31/603101431.db2.gz RYVNAVFLPGLWEB-UHFFFAOYSA-N -1 0 365.386 -0.162 20 0 FBADRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000739976068 602902350 /nfs/dbraw/zinc/90/23/50/602902350.db2.gz KMNZTZGIJNDGMX-GFCCVEGCSA-N -1 0 372.403 -0.648 20 0 FBADRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000739976070 602902244 /nfs/dbraw/zinc/90/22/44/602902244.db2.gz KMNZTZGIJNDGMX-LBPRGKRZSA-N -1 0 372.403 -0.648 20 0 FBADRM COc1ccccc1CNC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739978353 603163066 /nfs/dbraw/zinc/16/30/66/603163066.db2.gz UDHRQRWTGONHMQ-NEPJUHHUSA-N -1 0 352.343 -0.032 20 0 FBADRM COc1ccccc1CNC(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739978356 603162855 /nfs/dbraw/zinc/16/28/55/603162855.db2.gz UDHRQRWTGONHMQ-NWDGAFQWSA-N -1 0 352.343 -0.032 20 0 FBADRM COc1ccccc1CNC(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000739978360 603162867 /nfs/dbraw/zinc/16/28/67/603162867.db2.gz UDHRQRWTGONHMQ-RYUDHWBXSA-N -1 0 352.343 -0.032 20 0 FBADRM COc1ccccc1CNC(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000739978363 603163042 /nfs/dbraw/zinc/16/30/42/603163042.db2.gz UDHRQRWTGONHMQ-VXGBXAGGSA-N -1 0 352.343 -0.032 20 0 FBADRM O=C([O-])NCCOC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000739978415 602217729 /nfs/dbraw/zinc/21/77/29/602217729.db2.gz VCFXABGWZSQGAW-UHFFFAOYSA-N -1 0 371.371 -0.769 20 0 FBADRM O=C([O-])NCCOC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000739978738 602220201 /nfs/dbraw/zinc/22/02/01/602220201.db2.gz ZHVIPAXWULKUEG-UHFFFAOYSA-N -1 0 371.371 -0.769 20 0 FBADRM COc1ccccc1NC(=O)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739978797 602762815 /nfs/dbraw/zinc/76/28/15/602762815.db2.gz WFXWODBXSDIJSB-UHFFFAOYSA-N -1 0 364.358 -0.428 20 0 FBADRM COc1ccccc1NC(=O)COC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739979453 603111234 /nfs/dbraw/zinc/11/12/34/603111234.db2.gz YWMKYCWRNWTZOI-UHFFFAOYSA-N -1 0 365.342 -0.001 20 0 FBADRM O=C([O-])NCc1ccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)cc1 ZINC000739980425 600351402 /nfs/dbraw/zinc/35/14/02/600351402.db2.gz JMQYRYVAUPSKAR-UHFFFAOYSA-N -1 0 362.342 -0.342 20 0 FBADRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1CCN(CC(N)=O)CC1 ZINC000739980503 602898987 /nfs/dbraw/zinc/89/89/87/602898987.db2.gz VOLJIJFIAWVHGU-AWEZNQCLSA-N -1 0 350.375 -0.367 20 0 FBADRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)N1CCN(CC(N)=O)CC1 ZINC000739980506 602898806 /nfs/dbraw/zinc/89/88/06/602898806.db2.gz VOLJIJFIAWVHGU-CQSZACIVSA-N -1 0 350.375 -0.367 20 0 FBADRM O=C([O-])NCc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000739980934 600655748 /nfs/dbraw/zinc/65/57/48/600655748.db2.gz PWJBVDAVVYENRL-UHFFFAOYSA-N -1 0 355.372 -0.350 20 0 FBADRM O=C([O-])NCc1ccc(NC(=O)C(=O)NCCN2CCOCC2)cc1 ZINC000739981576 600360027 /nfs/dbraw/zinc/36/00/27/600360027.db2.gz XWCYRTQFISNYJU-UHFFFAOYSA-N -1 0 350.375 -0.159 20 0 FBADRM CS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739981775 603428146 /nfs/dbraw/zinc/42/81/46/603428146.db2.gz AVEANUPRONRLDG-UHFFFAOYSA-N -1 0 355.372 -0.174 20 0 FBADRM COc1ncccc1NC(=O)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739982152 602211338 /nfs/dbraw/zinc/21/13/38/602211338.db2.gz AUQANWDRZAXIAF-UHFFFAOYSA-N -1 0 351.363 -0.560 20 0 FBADRM COc1ncc(C(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)cn1 ZINC000739982210 603109885 /nfs/dbraw/zinc/10/98/85/603109885.db2.gz CVXRLBLNWZVYBT-JTQLQIEISA-N -1 0 351.363 -0.279 20 0 FBADRM COc1ncc(C(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)cn1 ZINC000739982211 603109677 /nfs/dbraw/zinc/10/96/77/603109677.db2.gz CVXRLBLNWZVYBT-SNVBAGLBSA-N -1 0 351.363 -0.279 20 0 FBADRM CS(=O)(=O)CCN1CCC(NC(=O)NCCCNC(=O)[O-])CC1 ZINC000739982295 602749166 /nfs/dbraw/zinc/74/91/66/602749166.db2.gz DNLKDTHGMDCFME-UHFFFAOYSA-N -1 0 350.441 -0.548 20 0 FBADRM CS(=O)(=O)CCNC(=O)C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000739982354 603428151 /nfs/dbraw/zinc/42/81/51/603428151.db2.gz DZFCENLBVLYKHJ-UHFFFAOYSA-N -1 0 369.399 -0.178 20 0 FBADRM COc1ccnc(N2CCN(C(=O)[C@H]3COCCN3C(=O)[O-])CC2)n1 ZINC000739982608 661794240 /nfs/dbraw/zinc/79/42/40/661794240.db2.gz BKTIDSSQMTUDND-LLVKDONJSA-N -1 0 351.363 -0.487 20 0 FBADRM COc1ccnc(N2CCN(C(=O)[C@@H]3COCCN3C(=O)[O-])CC2)n1 ZINC000739982611 661794253 /nfs/dbraw/zinc/79/42/53/661794253.db2.gz BKTIDSSQMTUDND-NSHDSACASA-N -1 0 351.363 -0.487 20 0 FBADRM COc1ncnc(OC)c1C(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739982636 602498015 /nfs/dbraw/zinc/49/80/15/602498015.db2.gz GUFQTRHKJJSZQY-UHFFFAOYSA-N -1 0 353.379 -0.139 20 0 FBADRM CS(=O)(=O)CCCNC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739982843 602725417 /nfs/dbraw/zinc/72/54/17/602725417.db2.gz JXYSTBWMLGKWIY-UHFFFAOYSA-N -1 0 350.441 -0.594 20 0 FBADRM COc1ccncc1NC(=O)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739982974 602211421 /nfs/dbraw/zinc/21/14/21/602211421.db2.gz DANMMXGRJIOZBO-UHFFFAOYSA-N -1 0 351.363 -0.560 20 0 FBADRM CS(=O)(=O)CCN1CCC(NC(=O)N2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000739983272 604599703 /nfs/dbraw/zinc/59/97/03/604599703.db2.gz IFAXJDHQRIBQHW-GFCCVEGCSA-N -1 0 362.452 -0.453 20 0 FBADRM CS(=O)(=O)CCN1CCC(NC(=O)N2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000739983275 605101143 /nfs/dbraw/zinc/10/11/43/605101143.db2.gz IFAXJDHQRIBQHW-LBPRGKRZSA-N -1 0 362.452 -0.453 20 0 FBADRM COc1ncnc(OC)c1C(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739983310 602493484 /nfs/dbraw/zinc/49/34/84/602493484.db2.gz MAVHEXDDPALTER-UHFFFAOYSA-N -1 0 367.362 -0.612 20 0 FBADRM CS(=O)(=O)Cc1cccc(NC(=O)C(=O)NCCCNC(=O)[O-])c1 ZINC000739983509 602426027 /nfs/dbraw/zinc/42/60/27/602426027.db2.gz AFDBFTFXKJHQNA-UHFFFAOYSA-N -1 0 357.388 -0.056 20 0 FBADRM CS(=O)(=O)N1CCC(NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000739983685 602837282 /nfs/dbraw/zinc/83/72/82/602837282.db2.gz CRADKRRWQYNPRN-GFCCVEGCSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)N1CCC(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000739983688 602837211 /nfs/dbraw/zinc/83/72/11/602837211.db2.gz CRADKRRWQYNPRN-LBPRGKRZSA-N -1 0 363.436 -0.314 20 0 FBADRM COc1ncnc(OC)c1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739983965 602460965 /nfs/dbraw/zinc/46/09/65/602460965.db2.gz OTYVFMIGIKYFQV-UHFFFAOYSA-N -1 0 353.335 -0.954 20 0 FBADRM CS(=O)(=O)CCN1CCC(NC(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739984122 602585137 /nfs/dbraw/zinc/58/51/37/602585137.db2.gz MTLKQKQJEBCHBX-GFCCVEGCSA-N -1 0 362.452 -0.453 20 0 FBADRM CS(=O)(=O)CCN1CCC(NC(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739984123 602585325 /nfs/dbraw/zinc/58/53/25/602585325.db2.gz MTLKQKQJEBCHBX-LBPRGKRZSA-N -1 0 362.452 -0.453 20 0 FBADRM CS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000739984131 603071929 /nfs/dbraw/zinc/07/19/29/603071929.db2.gz MZSBUQHBTUZPFV-CHWSQXEVSA-N -1 0 356.400 -0.039 20 0 FBADRM CS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000739984132 603072187 /nfs/dbraw/zinc/07/21/87/603072187.db2.gz MZSBUQHBTUZPFV-OLZOCXBDSA-N -1 0 356.400 -0.039 20 0 FBADRM CS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000739984133 603071780 /nfs/dbraw/zinc/07/17/80/603071780.db2.gz MZSBUQHBTUZPFV-QWHCGFSZSA-N -1 0 356.400 -0.039 20 0 FBADRM CS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000739984134 603072116 /nfs/dbraw/zinc/07/21/16/603072116.db2.gz MZSBUQHBTUZPFV-STQMWFEESA-N -1 0 356.400 -0.039 20 0 FBADRM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739984817 603008817 /nfs/dbraw/zinc/00/88/17/603008817.db2.gz SLWICQMGPZFVLL-GHMZBOCLSA-N -1 0 361.420 -0.719 20 0 FBADRM CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739984818 603008986 /nfs/dbraw/zinc/00/89/86/603008986.db2.gz SLWICQMGPZFVLL-MNOVXSKESA-N -1 0 361.420 -0.719 20 0 FBADRM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739984819 603008836 /nfs/dbraw/zinc/00/88/36/603008836.db2.gz SLWICQMGPZFVLL-QWRGUYRKSA-N -1 0 361.420 -0.719 20 0 FBADRM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000739984821 603008744 /nfs/dbraw/zinc/00/87/44/603008744.db2.gz SLWICQMGPZFVLL-WDEREUQCSA-N -1 0 361.420 -0.719 20 0 FBADRM CS(=O)(=O)CCCC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739984853 602674799 /nfs/dbraw/zinc/67/47/99/602674799.db2.gz SUEBXTFQWYYHKU-LLVKDONJSA-N -1 0 363.436 -0.566 20 0 FBADRM CS(=O)(=O)CCCC(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739984856 602674812 /nfs/dbraw/zinc/67/48/12/602674812.db2.gz SUEBXTFQWYYHKU-NSHDSACASA-N -1 0 363.436 -0.566 20 0 FBADRM CS(=O)(=O)CCN1CCC(NC(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000739984873 602729357 /nfs/dbraw/zinc/72/93/57/602729357.db2.gz PZWHFEFLTVPBCE-LLVKDONJSA-N -1 0 365.477 -0.336 20 0 FBADRM CS(=O)(=O)CCN1CCC(NC(=O)[C@@H]2CSCN2C(=O)[O-])CC1 ZINC000739984876 602729361 /nfs/dbraw/zinc/72/93/61/602729361.db2.gz PZWHFEFLTVPBCE-NSHDSACASA-N -1 0 365.477 -0.336 20 0 FBADRM CS(=O)(=O)N1CCC(CNC(=O)N2CC[C@H](CNC(=O)[O-])C2)CC1 ZINC000739985107 602151720 /nfs/dbraw/zinc/15/17/20/602151720.db2.gz HXLLUVDVMPGRHC-GFCCVEGCSA-N -1 0 362.452 -0.043 20 0 FBADRM CS(=O)(=O)N1CCC(CNC(=O)N2CC[C@@H](CNC(=O)[O-])C2)CC1 ZINC000739985109 602151705 /nfs/dbraw/zinc/15/17/05/602151705.db2.gz HXLLUVDVMPGRHC-LBPRGKRZSA-N -1 0 362.452 -0.043 20 0 FBADRM COc1ccnc(N2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])CC2)n1 ZINC000739985153 603074679 /nfs/dbraw/zinc/07/46/79/603074679.db2.gz MIMBNHUGHDUWQO-GHMZBOCLSA-N -1 0 351.363 -0.753 20 0 FBADRM COc1ccnc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])CC2)n1 ZINC000739985158 603075932 /nfs/dbraw/zinc/07/59/32/603075932.db2.gz MIMBNHUGHDUWQO-MNOVXSKESA-N -1 0 351.363 -0.753 20 0 FBADRM COc1ccnc(N2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])CC2)n1 ZINC000739985164 603076011 /nfs/dbraw/zinc/07/60/11/603076011.db2.gz MIMBNHUGHDUWQO-QWRGUYRKSA-N -1 0 351.363 -0.753 20 0 FBADRM COc1ccnc(N2CCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])CC2)n1 ZINC000739985169 603075526 /nfs/dbraw/zinc/07/55/26/603075526.db2.gz MIMBNHUGHDUWQO-WDEREUQCSA-N -1 0 351.363 -0.753 20 0 FBADRM CS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000739985659 603428182 /nfs/dbraw/zinc/42/81/82/603428182.db2.gz WPHVYGSRMXHPBI-UHFFFAOYSA-N -1 0 369.399 -0.178 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)C1(NC(=O)[O-])Cc2ccccc2C1 ZINC000739985671 603224160 /nfs/dbraw/zinc/22/41/60/603224160.db2.gz XCLXHZYQGCSIAC-UHFFFAOYSA-N -1 0 370.427 -0.031 20 0 FBADRM CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2CSCN2C(=O)[O-])CC1 ZINC000739985686 601850755 /nfs/dbraw/zinc/85/07/55/601850755.db2.gz LKDIDIJHPQYEQB-JTQLQIEISA-N -1 0 351.450 -0.173 20 0 FBADRM CS(=O)(=O)N1CCC(CNC(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000739985688 601945992 /nfs/dbraw/zinc/94/59/92/601945992.db2.gz LKDIDIJHPQYEQB-SNVBAGLBSA-N -1 0 351.450 -0.173 20 0 FBADRM COc1ncccc1NC(=O)C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739985886 602759956 /nfs/dbraw/zinc/75/99/56/602759956.db2.gz VZBYGMNVLZHGQA-UHFFFAOYSA-N -1 0 365.390 -0.169 20 0 FBADRM COc1ccncc1NC(=O)C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739985902 602760332 /nfs/dbraw/zinc/76/03/32/602760332.db2.gz UARPAZIRULPDRZ-UHFFFAOYSA-N -1 0 365.390 -0.169 20 0 FBADRM COc1ncnc(OC)c1C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739985992 602493248 /nfs/dbraw/zinc/49/32/48/602493248.db2.gz WZBFVQKIUDQDLR-UHFFFAOYSA-N -1 0 353.379 -0.091 20 0 FBADRM CS(=O)(=O)Cc1cccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000739986216 602997722 /nfs/dbraw/zinc/99/77/22/602997722.db2.gz PQVJWOKJXPZEEO-UHFFFAOYSA-N -1 0 369.399 -0.008 20 0 FBADRM CS(=O)(=O)Cc1ccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000739986279 602997847 /nfs/dbraw/zinc/99/78/47/602997847.db2.gz QMTKCJKAPZUMES-UHFFFAOYSA-N -1 0 369.399 -0.008 20 0 FBADRM CS(=O)(=O)Cc1ccccc1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739986766 602997991 /nfs/dbraw/zinc/99/79/91/602997991.db2.gz VIDUWCNEOHHSQK-UHFFFAOYSA-N -1 0 369.399 -0.008 20 0 FBADRM CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)NCCCNC(=O)[O-] ZINC000739986906 602426112 /nfs/dbraw/zinc/42/61/12/602426112.db2.gz XTDUWLKIDPBNSR-UHFFFAOYSA-N -1 0 357.388 -0.056 20 0 FBADRM CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NCCCNC(=O)[O-])cc1 ZINC000739986921 602426136 /nfs/dbraw/zinc/42/61/36/602426136.db2.gz YGMCHGRWEXXQKH-UHFFFAOYSA-N -1 0 357.388 -0.056 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])C1 ZINC000739986927 602863545 /nfs/dbraw/zinc/86/35/45/602863545.db2.gz YKZYXXRPHFDJDE-NEPJUHHUSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])C1 ZINC000739986928 602863730 /nfs/dbraw/zinc/86/37/30/602863730.db2.gz YKZYXXRPHFDJDE-NWDGAFQWSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])C1 ZINC000739986930 602863989 /nfs/dbraw/zinc/86/39/89/602863989.db2.gz YKZYXXRPHFDJDE-RYUDHWBXSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])C1 ZINC000739986931 602863643 /nfs/dbraw/zinc/86/36/43/602863643.db2.gz YKZYXXRPHFDJDE-VXGBXAGGSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)Cc1noc(NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])n1 ZINC000739986970 602914407 /nfs/dbraw/zinc/91/44/07/602914407.db2.gz ZCFDKZLNLOCMOB-MRVPVSSYSA-N -1 0 362.364 -0.288 20 0 FBADRM CS(=O)(=O)Cc1noc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])n1 ZINC000739986971 602914324 /nfs/dbraw/zinc/91/43/24/602914324.db2.gz ZCFDKZLNLOCMOB-QMMMGPOBSA-N -1 0 362.364 -0.288 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])CC1 ZINC000739989402 603028777 /nfs/dbraw/zinc/02/87/77/603028777.db2.gz AZEVABXHRNPRAG-NEPJUHHUSA-N -1 0 362.452 -0.884 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])CC1 ZINC000739989403 603028979 /nfs/dbraw/zinc/02/89/79/603028979.db2.gz AZEVABXHRNPRAG-NWDGAFQWSA-N -1 0 362.452 -0.884 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])CC1 ZINC000739989404 603028945 /nfs/dbraw/zinc/02/89/45/603028945.db2.gz AZEVABXHRNPRAG-RYUDHWBXSA-N -1 0 362.452 -0.884 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])CC1 ZINC000739989405 603028931 /nfs/dbraw/zinc/02/89/31/603028931.db2.gz AZEVABXHRNPRAG-VXGBXAGGSA-N -1 0 362.452 -0.884 20 0 FBADRM CS(=O)(=O)NC1(CNC(=O)[C@H]2COCCN2C(=O)[O-])CCCCC1 ZINC000739989408 602835895 /nfs/dbraw/zinc/83/58/95/602835895.db2.gz BCRRLJLBCOJDJR-LLVKDONJSA-N -1 0 363.436 -0.267 20 0 FBADRM CS(=O)(=O)NC1(CNC(=O)[C@@H]2COCCN2C(=O)[O-])CCCCC1 ZINC000739989409 602836123 /nfs/dbraw/zinc/83/61/23/602836123.db2.gz BCRRLJLBCOJDJR-NSHDSACASA-N -1 0 363.436 -0.267 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)C2(NC(=O)[O-])CCCC2)CC1 ZINC000739989445 601898557 /nfs/dbraw/zinc/89/85/57/601898557.db2.gz CXZRXQAXBZDYSW-UHFFFAOYSA-N -1 0 362.452 -0.740 20 0 FBADRM CS(=O)(=O)NCCNC(=O)NCc1ccc(CCNC(=O)[O-])cc1 ZINC000739989485 602024214 /nfs/dbraw/zinc/02/42/14/602024214.db2.gz ARKXOSHPZVWVMW-UHFFFAOYSA-N -1 0 358.420 -0.155 20 0 FBADRM CS(=O)(=O)NCCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000739989536 596985486 /nfs/dbraw/zinc/98/54/86/596985486.db2.gz BBRKNBNMANSHLG-GFCCVEGCSA-N -1 0 355.372 -0.202 20 0 FBADRM CS(=O)(=O)NCCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000739989537 596985348 /nfs/dbraw/zinc/98/53/48/596985348.db2.gz BBRKNBNMANSHLG-LBPRGKRZSA-N -1 0 355.372 -0.202 20 0 FBADRM CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)COCCNC(=O)[O-] ZINC000739989552 602661491 /nfs/dbraw/zinc/66/14/91/602661491.db2.gz BHMOTFATLFBCQT-LLVKDONJSA-N -1 0 351.425 -0.409 20 0 FBADRM CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)COCCNC(=O)[O-] ZINC000739989555 602661591 /nfs/dbraw/zinc/66/15/91/602661591.db2.gz BHMOTFATLFBCQT-NSHDSACASA-N -1 0 351.425 -0.409 20 0 FBADRM CS(=O)(=O)NCCNC(=S)N[C@@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000739989588 603377654 /nfs/dbraw/zinc/37/76/54/603377654.db2.gz BZCPYDWQOSDXKU-NXEZZACHSA-N -1 0 352.482 -0.174 20 0 FBADRM CS(=O)(=O)NCCNC(=S)N[C@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000739989590 603377677 /nfs/dbraw/zinc/37/76/77/603377677.db2.gz BZCPYDWQOSDXKU-UWVGGRQHSA-N -1 0 352.482 -0.174 20 0 FBADRM CS(=O)(=O)NCCNC(=S)N[C@@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000739989591 603377745 /nfs/dbraw/zinc/37/77/45/603377745.db2.gz BZCPYDWQOSDXKU-VHSXEESVSA-N -1 0 352.482 -0.174 20 0 FBADRM CS(=O)(=O)NCCNC(=S)N[C@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000739989593 603377622 /nfs/dbraw/zinc/37/76/22/603377622.db2.gz BZCPYDWQOSDXKU-ZJUUUORDSA-N -1 0 352.482 -0.174 20 0 FBADRM CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NCCCNC(=O)[O-])cc1 ZINC000739989597 603411357 /nfs/dbraw/zinc/41/13/57/603411357.db2.gz CDMUKYSOGPEPCN-UHFFFAOYSA-N -1 0 372.403 -0.552 20 0 FBADRM CS(=O)(=O)NCCNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000739989620 596959456 /nfs/dbraw/zinc/95/94/56/596959456.db2.gz CGNGLRCCMCGZCG-GFCCVEGCSA-N -1 0 354.388 -0.629 20 0 FBADRM CS(=O)(=O)NCCNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000739989625 596959315 /nfs/dbraw/zinc/95/93/15/596959315.db2.gz CGNGLRCCMCGZCG-LBPRGKRZSA-N -1 0 354.388 -0.629 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)C2(NC(=O)[O-])Cc3ccccc3C2)CC1 ZINC000739990104 603109271 /nfs/dbraw/zinc/10/92/71/603109271.db2.gz FXJDKYHGSMAEGB-UHFFFAOYSA-N -1 0 367.427 -0.105 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)CC1 ZINC000739990460 602089036 /nfs/dbraw/zinc/08/90/36/602089036.db2.gz GDDSLDQMSRULCX-UHFFFAOYSA-N -1 0 371.375 -0.786 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)C1 ZINC000739991160 602976791 /nfs/dbraw/zinc/97/67/91/602976791.db2.gz KVOSQHSFDJDGRL-SECBINFHSA-N -1 0 371.375 -0.740 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)C1 ZINC000739991162 602976973 /nfs/dbraw/zinc/97/69/73/602976973.db2.gz KVOSQHSFDJDGRL-VIFPVBQESA-N -1 0 371.375 -0.740 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])C1 ZINC000739991209 602845359 /nfs/dbraw/zinc/84/53/59/602845359.db2.gz LIIBSDBYEXZBNN-NEPJUHHUSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])C1 ZINC000739991211 602845418 /nfs/dbraw/zinc/84/54/18/602845418.db2.gz LIIBSDBYEXZBNN-NWDGAFQWSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])C1 ZINC000739991212 602845522 /nfs/dbraw/zinc/84/55/22/602845522.db2.gz LIIBSDBYEXZBNN-RYUDHWBXSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])C1 ZINC000739991213 602845250 /nfs/dbraw/zinc/84/52/50/602845250.db2.gz LIIBSDBYEXZBNN-VXGBXAGGSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)NC1(CNC(=O)COCCNC(=O)[O-])CCCCC1 ZINC000739991238 602659188 /nfs/dbraw/zinc/65/91/88/602659188.db2.gz LQUUFHFIGAQXSY-UHFFFAOYSA-N -1 0 351.425 -0.361 20 0 FBADRM CS(=O)(=O)N1CCCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000739992324 602837251 /nfs/dbraw/zinc/83/72/51/602837251.db2.gz PMMBMYZEPLFHOE-GFCCVEGCSA-N -1 0 363.436 -0.361 20 0 FBADRM CS(=O)(=O)N1CCCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000739992325 602837441 /nfs/dbraw/zinc/83/74/41/602837441.db2.gz PMMBMYZEPLFHOE-LBPRGKRZSA-N -1 0 363.436 -0.361 20 0 FBADRM CS(=O)(=O)NC1CCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000739992361 603386457 /nfs/dbraw/zinc/38/64/57/603386457.db2.gz QLXKTXGTKRQFTP-GFCCVEGCSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)NC1CCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000739992362 603386576 /nfs/dbraw/zinc/38/65/76/603386576.db2.gz QLXKTXGTKRQFTP-LBPRGKRZSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)CC1 ZINC000739992384 603392472 /nfs/dbraw/zinc/39/24/72/603392472.db2.gz QXMWHAZSVWSKPJ-UHFFFAOYSA-N -1 0 370.387 -0.181 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)[C@H]2CCCCN2C(=O)[O-])CC1 ZINC000739992749 602504936 /nfs/dbraw/zinc/50/49/36/602504936.db2.gz SQZQDSABDQANOU-GFCCVEGCSA-N -1 0 362.452 -0.788 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2CCCCN2C(=O)[O-])CC1 ZINC000739992750 602505055 /nfs/dbraw/zinc/50/50/55/602505055.db2.gz SQZQDSABDQANOU-LBPRGKRZSA-N -1 0 362.452 -0.788 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])CC1 ZINC000739992765 602563959 /nfs/dbraw/zinc/56/39/59/602563959.db2.gz TUSOPFFPABRDOK-CYBMUJFWSA-N -1 0 355.416 -0.031 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[O-])CC1 ZINC000739992766 602356657 /nfs/dbraw/zinc/35/66/57/602356657.db2.gz TUSOPFFPABRDOK-ZDUSSCGKSA-N -1 0 355.416 -0.031 20 0 FBADRM CS(=O)(=O)c1ccc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000739993016 602996375 /nfs/dbraw/zinc/99/63/75/602996375.db2.gz AVJLXRJGLKHDQC-UHFFFAOYSA-N -1 0 369.399 -0.472 20 0 FBADRM CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000739993222 602984635 /nfs/dbraw/zinc/98/46/35/602984635.db2.gz FLNPMFKVDRZVRB-UHFFFAOYSA-N -1 0 373.362 -0.010 20 0 FBADRM CS(=O)(=O)NCCC(=O)Nc1ccc(N2CCN(C(=O)[O-])CC2)cn1 ZINC000739993553 602121901 /nfs/dbraw/zinc/12/19/01/602121901.db2.gz CRBNIODFGSPRIA-UHFFFAOYSA-N -1 0 371.419 -0.241 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2C(=O)[O-])cn1 ZINC000739993922 602621350 /nfs/dbraw/zinc/62/13/50/602621350.db2.gz LTKLWNYSBAPHDL-JTQLQIEISA-N -1 0 370.387 -0.318 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCN2C(=O)[O-])cn1 ZINC000739993923 602621535 /nfs/dbraw/zinc/62/15/35/602621535.db2.gz LTKLWNYSBAPHDL-SNVBAGLBSA-N -1 0 370.387 -0.318 20 0 FBADRM CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NCCCNC(=O)[O-])c1 ZINC000739993940 602426806 /nfs/dbraw/zinc/42/68/06/602426806.db2.gz MIGIAQVLEJTUAC-UHFFFAOYSA-N -1 0 361.351 -0.058 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)NCCN(C(=O)[O-])C2CC2)cn1 ZINC000739993947 602094512 /nfs/dbraw/zinc/09/45/12/602094512.db2.gz MJVWXKGBXVXFLF-UHFFFAOYSA-N -1 0 370.387 -0.318 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CNC(=O)[O-])C2CC2)cn1 ZINC000739994001 603143694 /nfs/dbraw/zinc/14/36/94/603143694.db2.gz NNHVWVFNGFHQIL-JTQLQIEISA-N -1 0 370.387 -0.414 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CNC(=O)[O-])C2CC2)cn1 ZINC000739994002 603143790 /nfs/dbraw/zinc/14/37/90/603143790.db2.gz NNHVWVFNGFHQIL-SNVBAGLBSA-N -1 0 370.387 -0.414 20 0 FBADRM CS(=O)(=O)c1ccc(-n2nnnc2CN2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000739994294 605918659 /nfs/dbraw/zinc/91/86/59/605918659.db2.gz DUUOSJCVOXAQTQ-JTQLQIEISA-N -1 0 366.403 -0.092 20 0 FBADRM CS(=O)(=O)c1ccc(-n2nnnc2CN2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000739994295 604372800 /nfs/dbraw/zinc/37/28/00/604372800.db2.gz DUUOSJCVOXAQTQ-SNVBAGLBSA-N -1 0 366.403 -0.092 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)cn1 ZINC000739994403 604572172 /nfs/dbraw/zinc/57/21/72/604572172.db2.gz OKAZGGZWSDCFEB-SECBINFHSA-N -1 0 356.360 -0.708 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)cn1 ZINC000739994404 605112590 /nfs/dbraw/zinc/11/25/90/605112590.db2.gz OKAZGGZWSDCFEB-VIFPVBQESA-N -1 0 356.360 -0.708 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000739994421 605115051 /nfs/dbraw/zinc/11/50/51/605115051.db2.gz OXRXIMMDHGHVED-JTQLQIEISA-N -1 0 355.372 -0.103 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000739994422 604569945 /nfs/dbraw/zinc/56/99/45/604569945.db2.gz OXRXIMMDHGHVED-SNVBAGLBSA-N -1 0 355.372 -0.103 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000739994457 602984820 /nfs/dbraw/zinc/98/48/20/602984820.db2.gz QGBLAVIRUIVZMG-UHFFFAOYSA-N -1 0 355.372 -0.149 20 0 FBADRM CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CC[C@@H](NC(=O)[O-])C1 ZINC000739994512 604347224 /nfs/dbraw/zinc/34/72/24/604347224.db2.gz FENJZEYJHQYGPE-MRVPVSSYSA-N -1 0 363.417 -0.416 20 0 FBADRM CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CC[C@H](NC(=O)[O-])C1 ZINC000739994514 605904245 /nfs/dbraw/zinc/90/42/45/605904245.db2.gz FENJZEYJHQYGPE-QMMMGPOBSA-N -1 0 363.417 -0.416 20 0 FBADRM CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000739994571 603015197 /nfs/dbraw/zinc/01/51/97/603015197.db2.gz GNUFVVVNOBYNQO-UHFFFAOYSA-N -1 0 370.387 -0.181 20 0 FBADRM CS(=O)(=O)NCCNC(=O)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739994875 603387095 /nfs/dbraw/zinc/38/70/95/603387095.db2.gz LNTUNHUDAREHKO-UHFFFAOYSA-N -1 0 362.339 -0.481 20 0 FBADRM CS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC000739994893 602394758 /nfs/dbraw/zinc/39/47/58/602394758.db2.gz LTTLDWSMOIPRBE-NXEZZACHSA-N -1 0 351.450 -0.173 20 0 FBADRM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC000739994894 602394537 /nfs/dbraw/zinc/39/45/37/602394537.db2.gz LTTLDWSMOIPRBE-VHSXEESVSA-N -1 0 351.450 -0.173 20 0 FBADRM CS(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000739994924 603193408 /nfs/dbraw/zinc/19/34/08/603193408.db2.gz RUDLDDJAQZFERS-GWCFXTLKSA-N -1 0 372.399 -0.302 20 0 FBADRM CS(=O)(=O)c1ccc(OCCNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000739994925 603193330 /nfs/dbraw/zinc/19/33/30/603193330.db2.gz RUDLDDJAQZFERS-GXFFZTMASA-N -1 0 372.399 -0.302 20 0 FBADRM CS(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000739994927 603193160 /nfs/dbraw/zinc/19/31/60/603193160.db2.gz RUDLDDJAQZFERS-MFKMUULPSA-N -1 0 372.399 -0.302 20 0 FBADRM CS(=O)(=O)c1ccc(OCCNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000739994928 603193446 /nfs/dbraw/zinc/19/34/46/603193446.db2.gz RUDLDDJAQZFERS-ZWNOBZJWSA-N -1 0 372.399 -0.302 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](CNC(=O)[O-])C2)cn1 ZINC000739994933 602204403 /nfs/dbraw/zinc/20/44/03/602204403.db2.gz SCIUAGRHXODKAK-SECBINFHSA-N -1 0 370.387 -0.460 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](CNC(=O)[O-])C2)cn1 ZINC000739994934 602204443 /nfs/dbraw/zinc/20/44/43/602204443.db2.gz SCIUAGRHXODKAK-VIFPVBQESA-N -1 0 370.387 -0.460 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)cn1 ZINC000739994963 602992996 /nfs/dbraw/zinc/99/29/96/602992996.db2.gz UHDJCFJDKMFTED-UHFFFAOYSA-N -1 0 356.360 -0.754 20 0 FBADRM CS(=O)(=O)c1ccc(OCCNC(=O)[C@H]2COCCN2C(=O)[O-])cc1 ZINC000739994991 602892122 /nfs/dbraw/zinc/89/21/22/602892122.db2.gz URJPECDAMLDCAQ-CYBMUJFWSA-N -1 0 372.399 -0.036 20 0 FBADRM CS(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2COCCN2C(=O)[O-])cc1 ZINC000739994993 602892207 /nfs/dbraw/zinc/89/22/07/602892207.db2.gz URJPECDAMLDCAQ-ZDUSSCGKSA-N -1 0 372.399 -0.036 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000739995025 602647466 /nfs/dbraw/zinc/64/74/66/602647466.db2.gz VHSBFBKQAQSGKO-JTQLQIEISA-N -1 0 355.372 -0.103 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000739995026 602647475 /nfs/dbraw/zinc/64/74/75/602647475.db2.gz VHSBFBKQAQSGKO-SNVBAGLBSA-N -1 0 355.372 -0.103 20 0 FBADRM CS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)o1 ZINC000739995217 602750428 /nfs/dbraw/zinc/75/04/28/602750428.db2.gz KVZZPOPKSSDZEV-UHFFFAOYSA-N -1 0 359.360 -0.765 20 0 FBADRM CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)NCCNC(=O)[O-])cc1F ZINC000739995333 602091817 /nfs/dbraw/zinc/09/18/17/602091817.db2.gz MCGQPTTYMDSAPO-UHFFFAOYSA-N -1 0 365.314 -0.309 20 0 FBADRM CS(=O)(=O)NCCNC(=S)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000739995460 603379008 /nfs/dbraw/zinc/37/90/08/603379008.db2.gz MENGCNXVZPKUSF-PBINXNQUSA-N -1 0 350.466 -0.327 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC000739995607 601341247 /nfs/dbraw/zinc/34/12/47/601341247.db2.gz XLEMSZJWOFFREF-UHFFFAOYSA-N -1 0 355.372 -0.253 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cn1 ZINC000739995650 602646973 /nfs/dbraw/zinc/64/69/73/602646973.db2.gz YFMKESRCFQLSPU-SECBINFHSA-N -1 0 356.360 -0.708 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)cn1 ZINC000739995651 602646882 /nfs/dbraw/zinc/64/68/82/602646882.db2.gz YFMKESRCFQLSPU-VIFPVBQESA-N -1 0 356.360 -0.708 20 0 FBADRM CS(=O)(=O)Nc1ccccc1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739996168 603015467 /nfs/dbraw/zinc/01/54/67/603015467.db2.gz OSNNBDIEOBTTCI-UHFFFAOYSA-N -1 0 370.387 -0.181 20 0 FBADRM CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1NCCCNC(=O)[O-] ZINC000739996194 602693709 /nfs/dbraw/zinc/69/37/09/602693709.db2.gz PJJUZPZLXLYZJT-UHFFFAOYSA-N -1 0 351.406 -0.193 20 0 FBADRM CS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739996386 603388066 /nfs/dbraw/zinc/38/80/66/603388066.db2.gz PZRICITVOKTHEI-UHFFFAOYSA-N -1 0 358.376 -0.230 20 0 FBADRM CS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739996416 602087669 /nfs/dbraw/zinc/08/76/69/602087669.db2.gz QZSWPYKSHKKMDM-UHFFFAOYSA-N -1 0 359.364 -0.835 20 0 FBADRM CS(=O)(=O)c1ccccc1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739996441 602988420 /nfs/dbraw/zinc/98/84/20/602988420.db2.gz DDOAIBCHNLHCAU-UHFFFAOYSA-N -1 0 355.372 -0.149 20 0 FBADRM CS(=O)(=O)NCCNC(=S)NCC1(NC(=O)[O-])CCCCC1 ZINC000739997263 602323119 /nfs/dbraw/zinc/32/31/19/602323119.db2.gz TVTYRMMIOZEAAR-UHFFFAOYSA-N -1 0 352.482 -0.030 20 0 FBADRM CS(=O)(=O)NCCNC(=S)NCC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739997273 602624935 /nfs/dbraw/zinc/62/49/35/602624935.db2.gz UIWKPNYAHPNHJF-JTQLQIEISA-N -1 0 352.482 -0.220 20 0 FBADRM CS(=O)(=O)NCCNC(=S)NCC[C@H]1CCCN(C(=O)[O-])C1 ZINC000739997276 602625016 /nfs/dbraw/zinc/62/50/16/602625016.db2.gz UIWKPNYAHPNHJF-SNVBAGLBSA-N -1 0 352.482 -0.220 20 0 FBADRM CS(=O)(=O)c1ccsc1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739997286 603030831 /nfs/dbraw/zinc/03/08/31/603030831.db2.gz GSXUNLHSEAXSDK-UHFFFAOYSA-N -1 0 361.401 -0.088 20 0 FBADRM CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NCCNC(=O)[O-])cc1 ZINC000739997317 603402586 /nfs/dbraw/zinc/40/25/86/603402586.db2.gz UUKDGFFNZPWLSW-UHFFFAOYSA-N -1 0 358.376 -0.942 20 0 FBADRM CS(=O)(=O)NCCCNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000739997359 596959279 /nfs/dbraw/zinc/95/92/79/596959279.db2.gz VGQYLTUHWPLUFI-CYBMUJFWSA-N -1 0 368.415 -0.239 20 0 FBADRM CS(=O)(=O)NCCCNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000739997362 596959422 /nfs/dbraw/zinc/95/94/22/596959422.db2.gz VGQYLTUHWPLUFI-ZDUSSCGKSA-N -1 0 368.415 -0.239 20 0 FBADRM CS(=O)(=O)c1ccccc1NC(=O)C(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739997522 604566970 /nfs/dbraw/zinc/56/69/70/604566970.db2.gz JAXZDZJKIONVCO-SECBINFHSA-N -1 0 355.372 -0.103 20 0 FBADRM CS(=O)(=O)c1ccccc1NC(=O)C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000739997527 605117365 /nfs/dbraw/zinc/11/73/65/605117365.db2.gz JAXZDZJKIONVCO-VIFPVBQESA-N -1 0 355.372 -0.103 20 0 FBADRM CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739997818 602491284 /nfs/dbraw/zinc/49/12/84/602491284.db2.gz WRMIIRPRDCTVRN-MRVPVSSYSA-N -1 0 363.417 -0.098 20 0 FBADRM CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N[C@H]1CCN(C(=O)[O-])C1 ZINC000739997819 602491471 /nfs/dbraw/zinc/49/14/71/602491471.db2.gz WRMIIRPRDCTVRN-QMMMGPOBSA-N -1 0 363.417 -0.098 20 0 FBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000739997932 602501370 /nfs/dbraw/zinc/50/13/70/602501370.db2.gz NLYCRFVRTHFSCQ-NXEZZACHSA-N -1 0 353.466 -0.097 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000739997934 602501275 /nfs/dbraw/zinc/50/12/75/602501275.db2.gz NLYCRFVRTHFSCQ-UWVGGRQHSA-N -1 0 353.466 -0.097 20 0 FBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000739997936 602501363 /nfs/dbraw/zinc/50/13/63/602501363.db2.gz NLYCRFVRTHFSCQ-VHSXEESVSA-N -1 0 353.466 -0.097 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000739997938 602501262 /nfs/dbraw/zinc/50/12/62/602501262.db2.gz NLYCRFVRTHFSCQ-ZJUUUORDSA-N -1 0 353.466 -0.097 20 0 FBADRM CS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)c1 ZINC000739998150 605112455 /nfs/dbraw/zinc/11/24/55/605112455.db2.gz LVGKEDFZOLAVFU-JTQLQIEISA-N -1 0 355.372 -0.103 20 0 FBADRM CS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000739998152 604571529 /nfs/dbraw/zinc/57/15/29/604571529.db2.gz LVGKEDFZOLAVFU-SNVBAGLBSA-N -1 0 355.372 -0.103 20 0 FBADRM CS(=O)(=O)NCCOC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739998510 602664580 /nfs/dbraw/zinc/66/45/80/602664580.db2.gz YFYACNWFIAIOKI-UHFFFAOYSA-N -1 0 361.380 -0.701 20 0 FBADRM CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739998680 602285416 /nfs/dbraw/zinc/28/54/16/602285416.db2.gz ZUYNEWJPLDQQOZ-UHFFFAOYSA-N -1 0 370.387 -0.669 20 0 FBADRM CS(=O)(=O)c1cccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000739998693 602986849 /nfs/dbraw/zinc/98/68/49/602986849.db2.gz OMMFNRROZTXMTE-UHFFFAOYSA-N -1 0 355.372 -0.149 20 0 FBADRM CS(=O)(=O)c1cccc(OC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000739998800 602993057 /nfs/dbraw/zinc/99/30/57/602993057.db2.gz QIJVVPAERJYPEH-UHFFFAOYSA-N -1 0 356.356 -0.182 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000739999185 602496980 /nfs/dbraw/zinc/49/69/80/602496980.db2.gz PYMMFRFGJQTSAA-JTQLQIEISA-N -1 0 353.466 -0.097 20 0 FBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000739999187 602497179 /nfs/dbraw/zinc/49/71/79/602497179.db2.gz PYMMFRFGJQTSAA-SNVBAGLBSA-N -1 0 353.466 -0.097 20 0 FBADRM CS(=O)(=O)c1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739999387 602649243 /nfs/dbraw/zinc/64/92/43/602649243.db2.gz TWNQMFMOEFNAHY-SECBINFHSA-N -1 0 355.372 -0.103 20 0 FBADRM CS(=O)(=O)c1ccccc1NC(=O)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739999391 602649270 /nfs/dbraw/zinc/64/92/70/602649270.db2.gz TWNQMFMOEFNAHY-VIFPVBQESA-N -1 0 355.372 -0.103 20 0 FBADRM CS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000740000249 602648636 /nfs/dbraw/zinc/64/86/36/602648636.db2.gz XSCQEMLDXMMBMG-JTQLQIEISA-N -1 0 355.372 -0.103 20 0 FBADRM CS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000740000250 602648595 /nfs/dbraw/zinc/64/85/95/602648595.db2.gz XSCQEMLDXMMBMG-SNVBAGLBSA-N -1 0 355.372 -0.103 20 0 FBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000740000571 603023971 /nfs/dbraw/zinc/02/39/71/603023971.db2.gz UUMGHVGMBIDBDH-NXEZZACHSA-N -1 0 368.481 -0.593 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000740000575 603024019 /nfs/dbraw/zinc/02/40/19/603024019.db2.gz UUMGHVGMBIDBDH-UWVGGRQHSA-N -1 0 368.481 -0.593 20 0 FBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000740000577 603023981 /nfs/dbraw/zinc/02/39/81/603023981.db2.gz UUMGHVGMBIDBDH-VHSXEESVSA-N -1 0 368.481 -0.593 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000740000579 603024273 /nfs/dbraw/zinc/02/42/73/603024273.db2.gz UUMGHVGMBIDBDH-ZJUUUORDSA-N -1 0 368.481 -0.593 20 0 FBADRM CS(=O)(=O)Nc1ccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000740000695 603013968 /nfs/dbraw/zinc/01/39/68/603013968.db2.gz JXKPHAUMEGCJRI-UHFFFAOYSA-N -1 0 370.387 -0.181 20 0 FBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCNC(=O)[O-])c(F)c1 ZINC000740002681 602282319 /nfs/dbraw/zinc/28/23/19/602282319.db2.gz RLLLLIJEXXKFIW-UHFFFAOYSA-N -1 0 355.369 -0.257 20 0 FBADRM CS(=O)(=O)Nc1ccc(OC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000740003168 603143732 /nfs/dbraw/zinc/14/37/32/603143732.db2.gz VOLKRFDBKBPTJU-UHFFFAOYSA-N -1 0 371.371 -0.214 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000740007725 602359950 /nfs/dbraw/zinc/35/99/50/602359950.db2.gz ARUCWWAQXJHKRI-JTQLQIEISA-N -1 0 353.466 -0.084 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000740009895 603244255 /nfs/dbraw/zinc/24/42/55/603244255.db2.gz ZYJLPFBULYOBIE-LURJTMIESA-N -1 0 352.394 -0.058 20 0 FBADRM CSCC[C@@H](NC(=O)[O-])C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000740009896 603244328 /nfs/dbraw/zinc/24/43/28/603244328.db2.gz ZYJLPFBULYOBIE-ZCFIWIBFSA-N -1 0 352.394 -0.058 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000740009932 601907938 /nfs/dbraw/zinc/90/79/38/601907938.db2.gz DPCIKFCEAGWMQQ-UWVGGRQHSA-N -1 0 353.466 -0.084 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000740009933 601907977 /nfs/dbraw/zinc/90/79/77/601907977.db2.gz DPCIKFCEAGWMQQ-ZJUUUORDSA-N -1 0 353.466 -0.084 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000740010276 602370702 /nfs/dbraw/zinc/37/07/02/602370702.db2.gz KLWOYZRBUPDRMQ-JTQLQIEISA-N -1 0 353.466 -0.084 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000740011101 601940873 /nfs/dbraw/zinc/94/08/73/601940873.db2.gz PVQQLMNUSRFWQG-JTQLQIEISA-N -1 0 369.465 -0.846 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000740011824 601906655 /nfs/dbraw/zinc/90/66/55/601906655.db2.gz XETATOHAZYGGKS-JTQLQIEISA-N -1 0 353.466 -0.778 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 ZINC000740011857 602574070 /nfs/dbraw/zinc/57/40/70/602574070.db2.gz XOVPIFBYHJLPAQ-LBPRGKRZSA-N -1 0 374.463 -0.427 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000740012543 602348459 /nfs/dbraw/zinc/34/84/59/602348459.db2.gz GMOIFLZZHKHDSS-LBPRGKRZSA-N -1 0 358.464 -0.202 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000740012821 602356813 /nfs/dbraw/zinc/35/68/13/602356813.db2.gz HTVMQRIBTJLHDI-NSHDSACASA-N -1 0 374.463 -0.429 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000740012822 602393930 /nfs/dbraw/zinc/39/39/30/602393930.db2.gz HUAHPTMGEYRAMA-UWVGGRQHSA-N -1 0 353.466 -0.084 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000740012823 602394050 /nfs/dbraw/zinc/39/40/50/602394050.db2.gz HUAHPTMGEYRAMA-ZJUUUORDSA-N -1 0 353.466 -0.084 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000740013136 602373849 /nfs/dbraw/zinc/37/38/49/602373849.db2.gz MWGDVSHSXPUNQD-JTQLQIEISA-N -1 0 353.466 -0.130 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000740013817 602382516 /nfs/dbraw/zinc/38/25/16/602382516.db2.gz UBFGEUPKDDAOOA-JTQLQIEISA-N -1 0 368.481 -0.674 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000740014074 601861833 /nfs/dbraw/zinc/86/18/33/601861833.db2.gz VXEUEJGQCKAGSJ-NSHDSACASA-N -1 0 372.447 -0.675 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000740018967 604050210 /nfs/dbraw/zinc/05/02/10/604050210.db2.gz VQQGQMLEPKOFEN-KPWVOAKYSA-N -1 0 351.494 -0.102 20 0 FBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000740018968 603103685 /nfs/dbraw/zinc/10/36/85/603103685.db2.gz VQQGQMLEPKOFEN-RKFFSXRUSA-N -1 0 351.494 -0.102 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000740018969 604050000 /nfs/dbraw/zinc/05/00/00/604050000.db2.gz VQQGQMLEPKOFEN-SAHAZLINSA-N -1 0 351.494 -0.102 20 0 FBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000740018970 603103538 /nfs/dbraw/zinc/10/35/38/603103538.db2.gz VQQGQMLEPKOFEN-XFNZEKPQSA-N -1 0 351.494 -0.102 20 0 FBADRM C[C@@H](NC(=O)[O-])C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 ZINC000740019158 603461505 /nfs/dbraw/zinc/46/15/05/603461505.db2.gz LYADWNDZYJQFHA-CYBMUJFWSA-N -1 0 370.450 -0.280 20 0 FBADRM CSCC[C@@H](NC(=O)[O-])C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 ZINC000740019855 602574190 /nfs/dbraw/zinc/57/41/90/602574190.db2.gz XOVPIFBYHJLPAQ-GFCCVEGCSA-N -1 0 374.463 -0.427 20 0 FBADRM O=C([O-])Nc1ccc(CNC(=O)COC(=O)CN2CC(=O)NC2=O)cc1 ZINC000740024616 600368918 /nfs/dbraw/zinc/36/89/18/600368918.db2.gz HKAFFWCEWRLUKZ-UHFFFAOYSA-N -1 0 364.314 -0.512 20 0 FBADRM O=C([O-])Nc1ccc(CNC(=O)CN2CC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000740025322 601103152 /nfs/dbraw/zinc/10/31/52/601103152.db2.gz QKEABNRKSLVKJK-INIZCTEOSA-N -1 0 361.358 -0.323 20 0 FBADRM O=C([O-])Nc1ccc(CNC(=O)CN2CC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000740025323 601102738 /nfs/dbraw/zinc/10/27/38/601102738.db2.gz QKEABNRKSLVKJK-MRXNPFEDSA-N -1 0 361.358 -0.323 20 0 FBADRM O=C([O-])Nc1ccc(CNC(=O)COC(=O)C2CC(=O)NC(=O)C2)cc1 ZINC000740025760 599945900 /nfs/dbraw/zinc/94/59/00/599945900.db2.gz WMYYLLLTYQCQRQ-UHFFFAOYSA-N -1 0 363.326 -0.011 20 0 FBADRM C[C@H]1CN(C(=O)CNC(=O)[O-])CCN1C(=O)CNC(=O)OC(C)(C)C ZINC000740028049 603933470 /nfs/dbraw/zinc/93/34/70/603933470.db2.gz BVIXPPUPBNUFJH-JTQLQIEISA-N -1 0 358.395 -0.162 20 0 FBADRM Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000740028388 602494632 /nfs/dbraw/zinc/49/46/32/602494632.db2.gz QPJBIYOHXWCQNG-UHFFFAOYSA-N -1 0 367.406 -0.117 20 0 FBADRM O=C([O-])Nc1cccc(C(=O)NCC(=O)NCCN2CCOCC2)c1 ZINC000740028649 602450074 /nfs/dbraw/zinc/45/00/74/602450074.db2.gz GDFAHXBRKJNMTD-UHFFFAOYSA-N -1 0 350.375 -0.045 20 0 FBADRM C[C@H]1CN(C(=O)CNC(=O)OC(C)(C)C)CCN1C(=O)CNC(=O)[O-] ZINC000740028723 603933379 /nfs/dbraw/zinc/93/33/79/603933379.db2.gz WCWYHYYRHCUWGS-JTQLQIEISA-N -1 0 358.395 -0.162 20 0 FBADRM O=C([O-])Nc1cccc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 ZINC000740028972 599936713 /nfs/dbraw/zinc/93/67/13/599936713.db2.gz MISLBTPLZNQQHL-UHFFFAOYSA-N -1 0 359.346 -0.252 20 0 FBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000740030812 602461812 /nfs/dbraw/zinc/46/18/12/602461812.db2.gz KPQGPVRVWRSIRE-UHFFFAOYSA-N -1 0 362.390 -0.715 20 0 FBADRM Cc1n[nH]cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000740032660 602563173 /nfs/dbraw/zinc/56/31/73/602563173.db2.gz VRQAYGBIKBURMT-JTQLQIEISA-N -1 0 359.408 -0.497 20 0 FBADRM Cc1n[nH]cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000740032665 602563251 /nfs/dbraw/zinc/56/32/51/602563251.db2.gz VRQAYGBIKBURMT-SNVBAGLBSA-N -1 0 359.408 -0.497 20 0 FBADRM Cc1c(C(=O)N2CC[C@H](C(N)=O)C2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740032881 837832188 /nfs/dbraw/zinc/83/21/88/837832188.db2.gz QKDVZJWVXFQZCE-JTQLQIEISA-N -1 0 350.379 -0.151 20 0 FBADRM Cc1c(C(=O)N2CC[C@@H](C(N)=O)C2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740032883 837832149 /nfs/dbraw/zinc/83/21/49/837832149.db2.gz QKDVZJWVXFQZCE-SNVBAGLBSA-N -1 0 350.379 -0.151 20 0 FBADRM Cc1c(C(=O)N2CCCNC(=O)C2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740034436 602292485 /nfs/dbraw/zinc/29/24/85/602292485.db2.gz BKVOMSAQNUYDQQ-UHFFFAOYSA-N -1 0 350.379 -0.136 20 0 FBADRM Cc1c(C(=O)N[C@@H]2CCN(C)C2=O)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740035533 602819189 /nfs/dbraw/zinc/81/91/89/602819189.db2.gz BLYQEBIKDGIKCU-LLVKDONJSA-N -1 0 350.379 -0.138 20 0 FBADRM Cc1c(C(=O)N[C@H]2CCN(C)C2=O)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740035534 602819031 /nfs/dbraw/zinc/81/90/31/602819031.db2.gz BLYQEBIKDGIKCU-NSHDSACASA-N -1 0 350.379 -0.138 20 0 FBADRM Cc1c(C(=O)NCC(=O)NC2CC2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740036196 602110103 /nfs/dbraw/zinc/11/01/03/602110103.db2.gz ILHRFPOGAFZQRV-UHFFFAOYSA-N -1 0 350.379 -0.090 20 0 FBADRM Cc1c(C(=O)N[C@H]2CCS(=O)(=O)C2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740037193 602110738 /nfs/dbraw/zinc/11/07/38/602110738.db2.gz NSMZVDQEJJAAGO-JTQLQIEISA-N -1 0 371.419 -0.182 20 0 FBADRM Cc1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740037195 602110885 /nfs/dbraw/zinc/11/08/85/602110885.db2.gz NSMZVDQEJJAAGO-SNVBAGLBSA-N -1 0 371.419 -0.182 20 0 FBADRM Cc1c(C(=O)N2CCC[C@@H](C(=O)N3CCN(C(=O)[O-])CC3)C2)nnn1C ZINC000740037340 603245398 /nfs/dbraw/zinc/24/53/98/603245398.db2.gz RUFDJMBKVJUGNX-GFCCVEGCSA-N -1 0 364.406 -0.202 20 0 FBADRM Cc1c(C(=O)N2CCC[C@H](C(=O)N3CCN(C(=O)[O-])CC3)C2)nnn1C ZINC000740037341 603245420 /nfs/dbraw/zinc/24/54/20/603245420.db2.gz RUFDJMBKVJUGNX-LBPRGKRZSA-N -1 0 364.406 -0.202 20 0 FBADRM Cc1c(C(=O)NCCNS(C)(=O)=O)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740037410 602115718 /nfs/dbraw/zinc/11/57/18/602115718.db2.gz IDIJJUJPOSWRPU-UHFFFAOYSA-N -1 0 374.423 -0.820 20 0 FBADRM Cc1c(C(=O)N[C@H]2CC(=O)N(C)C2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740038099 602127081 /nfs/dbraw/zinc/12/70/81/602127081.db2.gz TWKQDBVFEVUPDH-JTQLQIEISA-N -1 0 350.379 -0.138 20 0 FBADRM Cc1c(C(=O)N[C@@H]2CC(=O)N(C)C2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740038101 602127305 /nfs/dbraw/zinc/12/73/05/602127305.db2.gz TWKQDBVFEVUPDH-SNVBAGLBSA-N -1 0 350.379 -0.138 20 0 FBADRM Cc1c(C(=O)NCCS(C)(=O)=O)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740038415 602115792 /nfs/dbraw/zinc/11/57/92/602115792.db2.gz PUNKQKDWAJSMFT-UHFFFAOYSA-N -1 0 359.408 -0.324 20 0 FBADRM Cc1c(C(=O)NCCCS(N)(=O)=O)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740038426 602126677 /nfs/dbraw/zinc/12/66/77/602126677.db2.gz PXKJSXOKTRJICV-UHFFFAOYSA-N -1 0 374.423 -0.690 20 0 FBADRM Cc1c(C(=O)N[C@@H]2CCCNC2=O)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740038541 602116873 /nfs/dbraw/zinc/11/68/73/602116873.db2.gz ZILHWKSLGDJILO-LLVKDONJSA-N -1 0 350.379 -0.090 20 0 FBADRM Cc1c(C(=O)N[C@H]2CCCNC2=O)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740038545 602116875 /nfs/dbraw/zinc/11/68/75/602116875.db2.gz ZILHWKSLGDJILO-NSHDSACASA-N -1 0 350.379 -0.090 20 0 FBADRM Cc1c(C(=O)NCCN2CCOCC2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740038653 602115210 /nfs/dbraw/zinc/11/52/10/602115210.db2.gz TYVIHPSFNNXEPE-UHFFFAOYSA-N -1 0 366.422 -0.037 20 0 FBADRM Cc1c(C(=O)NC[C@@H]2CN(C)CCO2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740039307 602126760 /nfs/dbraw/zinc/12/67/60/602126760.db2.gz DUWMVFYVBQMRIM-CYBMUJFWSA-N -1 0 366.422 -0.038 20 0 FBADRM Cc1c(C(=O)NC[C@H]2CN(C)CCO2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740039309 602126783 /nfs/dbraw/zinc/12/67/83/602126783.db2.gz DUWMVFYVBQMRIM-ZDUSSCGKSA-N -1 0 366.422 -0.038 20 0 FBADRM Cc1c(C(=O)N2CCNC(=O)[C@@H]2C)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740040076 602640874 /nfs/dbraw/zinc/64/08/74/602640874.db2.gz ICILJQJWDUYWCH-JTQLQIEISA-N -1 0 350.379 -0.138 20 0 FBADRM Cc1c(C(=O)N2CCNC(=O)[C@H]2C)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740040077 602641076 /nfs/dbraw/zinc/64/10/76/602641076.db2.gz ICILJQJWDUYWCH-SNVBAGLBSA-N -1 0 350.379 -0.138 20 0 FBADRM Cc1c(C(=O)N2CCN(C)C(=O)C2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740040125 603382895 /nfs/dbraw/zinc/38/28/95/603382895.db2.gz JOQSINVCVYKVCV-UHFFFAOYSA-N -1 0 350.379 -0.184 20 0 FBADRM Cc1c(C(=O)N2CCS(=O)(=O)CC2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740041426 602328303 /nfs/dbraw/zinc/32/83/03/602328303.db2.gz ORYZQHAPALCUQE-UHFFFAOYSA-N -1 0 371.419 -0.228 20 0 FBADRM Cc1c(C(=O)O[C@H](C)C(=O)NC(N)=O)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740042046 602128766 /nfs/dbraw/zinc/12/87/66/602128766.db2.gz NDQNDGKLDREURE-MRVPVSSYSA-N -1 0 368.350 -0.358 20 0 FBADRM Cc1c(C(=O)O[C@@H](C)C(=O)NC(N)=O)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740042054 602128776 /nfs/dbraw/zinc/12/87/76/602128776.db2.gz NDQNDGKLDREURE-QMMMGPOBSA-N -1 0 368.350 -0.358 20 0 FBADRM Cc1c(C(=O)N2CCNC(=O)CC2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740042600 837831806 /nfs/dbraw/zinc/83/18/06/837831806.db2.gz WEOWCUXNVSFFJR-UHFFFAOYSA-N -1 0 350.379 -0.136 20 0 FBADRM Cc1c(C(=O)N2CCO[C@@H](C(N)=O)C2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740042616 602116854 /nfs/dbraw/zinc/11/68/54/602116854.db2.gz WWTRIMSCJMFVPI-LLVKDONJSA-N -1 0 366.378 -0.772 20 0 FBADRM Cc1c(C(=O)N2CCO[C@H](C(N)=O)C2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740042617 602116857 /nfs/dbraw/zinc/11/68/57/602116857.db2.gz WWTRIMSCJMFVPI-NSHDSACASA-N -1 0 366.378 -0.772 20 0 FBADRM Cc1c(C(=O)OCC(=O)NC(N)=O)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740043129 602127783 /nfs/dbraw/zinc/12/77/83/602127783.db2.gz DXHNMNIMJUOXAW-UHFFFAOYSA-N -1 0 354.323 -0.747 20 0 FBADRM Cc1c(C(=O)OCc2nnnn2C)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740043347 602929661 /nfs/dbraw/zinc/92/96/61/602929661.db2.gz GZPWQDYFBATMSR-UHFFFAOYSA-N -1 0 350.339 -0.218 20 0 FBADRM O=C([O-])Nc1ccccc1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000740045204 605693958 /nfs/dbraw/zinc/69/39/58/605693958.db2.gz DWMVOIRMZIYAQR-UHFFFAOYSA-N -1 0 359.346 -0.252 20 0 FBADRM Cc1c(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)cccc1-n1cnnn1 ZINC000740045433 605115064 /nfs/dbraw/zinc/11/50/64/605115064.db2.gz JYAIXUHATVZVLJ-JTQLQIEISA-N -1 0 359.346 -0.222 20 0 FBADRM Cc1c(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)cccc1-n1cnnn1 ZINC000740045434 604567075 /nfs/dbraw/zinc/56/70/75/604567075.db2.gz JYAIXUHATVZVLJ-SNVBAGLBSA-N -1 0 359.346 -0.222 20 0 FBADRM O=C([O-])Nc1ccccc1C(=O)NCC(=O)NCCN1CCOCC1 ZINC000740046132 605698213 /nfs/dbraw/zinc/69/82/13/605698213.db2.gz LPKQOZMESDUVDX-UHFFFAOYSA-N -1 0 350.375 -0.045 20 0 FBADRM Cc1c(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)cccc1-n1cnnn1 ZINC000740047388 602646887 /nfs/dbraw/zinc/64/68/87/602646887.db2.gz SURLEDUGRJWJLH-JTQLQIEISA-N -1 0 359.346 -0.222 20 0 FBADRM Cc1c(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cccc1-n1cnnn1 ZINC000740047389 602646930 /nfs/dbraw/zinc/64/69/30/602646930.db2.gz SURLEDUGRJWJLH-SNVBAGLBSA-N -1 0 359.346 -0.222 20 0 FBADRM Cc1c(NC(=O)C(=O)NCC(=O)[O-])cccc1S(=O)(=O)NC1CC1 ZINC000740048231 597081887 /nfs/dbraw/zinc/08/18/87/597081887.db2.gz ZIAJCSFDQLLQSE-UHFFFAOYSA-N -1 0 355.372 -0.425 20 0 FBADRM Cc1c(NC(=O)CN2CCN(C(=O)[O-])CC2=O)cccc1-n1cnnn1 ZINC000740050643 602984755 /nfs/dbraw/zinc/98/47/55/602984755.db2.gz RNKPZLUULFKJDY-UHFFFAOYSA-N -1 0 359.346 -0.269 20 0 FBADRM Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)NCCNC(=O)[O-] ZINC000740052260 602976728 /nfs/dbraw/zinc/97/67/28/602976728.db2.gz IUPHFYHIVOVPQS-UHFFFAOYSA-N -1 0 357.388 -0.138 20 0 FBADRM Cc1cc(C(=O)N(C)CCCNC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000740052563 602809756 /nfs/dbraw/zinc/80/97/56/602809756.db2.gz MJMXARBOXKZMMW-UHFFFAOYSA-N -1 0 363.374 -0.330 20 0 FBADRM Cc1cc(C(=O)N(C)[C@H](C)CNC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000740052971 602806001 /nfs/dbraw/zinc/80/60/01/602806001.db2.gz PNFATWWEUAVGCV-SECBINFHSA-N -1 0 363.374 -0.331 20 0 FBADRM Cc1cc(C(=O)N(C)[C@@H](C)CNC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000740052972 602806032 /nfs/dbraw/zinc/80/60/32/602806032.db2.gz PNFATWWEUAVGCV-VIFPVBQESA-N -1 0 363.374 -0.331 20 0 FBADRM Cc1cc(C(=O)N2CC[C@@H](NC(=O)[O-])C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000740053278 604470287 /nfs/dbraw/zinc/47/02/87/604470287.db2.gz IEAFSLNGSYRVGR-SECBINFHSA-N -1 0 361.358 -0.577 20 0 FBADRM Cc1cc(C(=O)N2CC[C@H](NC(=O)[O-])C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000740053279 605126939 /nfs/dbraw/zinc/12/69/39/605126939.db2.gz IEAFSLNGSYRVGR-VIFPVBQESA-N -1 0 361.358 -0.577 20 0 FBADRM O=C([O-])[C@@H]1CCCN1C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000740054435 600235892 /nfs/dbraw/zinc/23/58/92/600235892.db2.gz ZUYLMXFPISDZJX-KOLCDFICSA-N -1 0 357.388 -0.773 20 0 FBADRM O=C([O-])[C@@H]1CCCN1C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000740054437 600235843 /nfs/dbraw/zinc/23/58/43/600235843.db2.gz ZUYLMXFPISDZJX-ONGXEEELSA-N -1 0 357.388 -0.773 20 0 FBADRM Cc1cc(=O)n2nc(COC(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])sc2n1 ZINC000740055108 603154715 /nfs/dbraw/zinc/15/47/15/603154715.db2.gz RCXVPQQNNXJMCK-HTQZYQBOSA-N -1 0 354.344 -0.384 20 0 FBADRM Cc1cc(=O)n2nc(COC(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])sc2n1 ZINC000740055109 603154356 /nfs/dbraw/zinc/15/43/56/603154356.db2.gz RCXVPQQNNXJMCK-JGVFFNPUSA-N -1 0 354.344 -0.384 20 0 FBADRM Cc1cc(=O)n2nc(COC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])sc2n1 ZINC000740055110 603154446 /nfs/dbraw/zinc/15/44/46/603154446.db2.gz RCXVPQQNNXJMCK-SFYZADRCSA-N -1 0 354.344 -0.384 20 0 FBADRM Cc1cc(=O)n2nc(COC(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])sc2n1 ZINC000740055111 603154290 /nfs/dbraw/zinc/15/42/90/603154290.db2.gz RCXVPQQNNXJMCK-YUMQZZPRSA-N -1 0 354.344 -0.384 20 0 FBADRM Cc1cc(C(=O)NC(C)(C)CNC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000740056160 602809685 /nfs/dbraw/zinc/80/96/85/602809685.db2.gz FVJXFHUYAFAJMB-UHFFFAOYSA-N -1 0 363.374 -0.283 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000740056752 600312331 /nfs/dbraw/zinc/31/23/31/600312331.db2.gz KOBSFVRAIVKILT-KGLIPLIRSA-N -1 0 353.444 -0.088 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000740057155 600141237 /nfs/dbraw/zinc/14/12/37/600141237.db2.gz RFKQMKRYAPVNMH-MCIONIFRSA-N -1 0 374.459 -0.536 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000740057156 600141254 /nfs/dbraw/zinc/14/12/54/600141254.db2.gz RFKQMKRYAPVNMH-MJBXVCDLSA-N -1 0 374.459 -0.536 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000740057171 600142211 /nfs/dbraw/zinc/14/22/11/600142211.db2.gz SKXRDAFRXSTUBH-DOMZBBRYSA-N -1 0 351.378 -0.006 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000740057328 600231419 /nfs/dbraw/zinc/23/14/19/600231419.db2.gz WSZYHYGEXVYZIH-OCCSQVGLSA-N -1 0 353.444 -0.088 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000740057353 600141061 /nfs/dbraw/zinc/14/10/61/600141061.db2.gz XFHJUYVCHZYNRR-NEPJUHHUSA-N -1 0 351.359 -0.916 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000740057378 600141316 /nfs/dbraw/zinc/14/13/16/600141316.db2.gz YUCMHTISTNVUOG-NEPJUHHUSA-N -1 0 367.427 -0.448 20 0 FBADRM Cc1cc(C(=O)O[C@@H]2CCN(C(=O)[O-])C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000740060269 602927498 /nfs/dbraw/zinc/92/74/98/602927498.db2.gz MUSLIRWUOODPQM-SECBINFHSA-N -1 0 362.342 -0.150 20 0 FBADRM Cc1cc(C(=O)O[C@H]2CCN(C(=O)[O-])C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000740060270 602928729 /nfs/dbraw/zinc/92/87/29/602928729.db2.gz MUSLIRWUOODPQM-VIFPVBQESA-N -1 0 362.342 -0.150 20 0 FBADRM Cc1cc(C(=O)OCCCNC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000740060378 602927488 /nfs/dbraw/zinc/92/74/88/602927488.db2.gz QCQFLPLBNMCTRC-UHFFFAOYSA-N -1 0 350.331 -0.245 20 0 FBADRM Cc1cc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000740061826 602806925 /nfs/dbraw/zinc/80/69/25/602806925.db2.gz YGJZDNKHVCFSFZ-SECBINFHSA-N -1 0 361.358 -0.577 20 0 FBADRM Cc1cc(C(=O)N[C@H]2CCN(C(=O)[O-])C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000740061827 602806930 /nfs/dbraw/zinc/80/69/30/602806930.db2.gz YGJZDNKHVCFSFZ-VIFPVBQESA-N -1 0 361.358 -0.577 20 0 FBADRM Cc1cc(C(=O)NCCN2CCN(C(=O)[O-])CC2)ccc1S(N)(=O)=O ZINC000740062046 603296328 /nfs/dbraw/zinc/29/63/28/603296328.db2.gz JYFSHLMSORCHCQ-UHFFFAOYSA-N -1 0 370.431 -0.332 20 0 FBADRM Cc1cc(C(=O)NCC[C@@H](C)NC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000740062228 602829924 /nfs/dbraw/zinc/82/99/24/602829924.db2.gz KQYJWRZZAONIGA-SECBINFHSA-N -1 0 363.374 -0.283 20 0 FBADRM Cc1cc(C(=O)NCC[C@H](C)NC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000740062229 602830081 /nfs/dbraw/zinc/83/00/81/602830081.db2.gz KQYJWRZZAONIGA-VIFPVBQESA-N -1 0 363.374 -0.283 20 0 FBADRM Cc1cc(C(=O)NCCCN(C)C(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000740064139 602824371 /nfs/dbraw/zinc/82/43/71/602824371.db2.gz YTERVPJOSLKLAH-UHFFFAOYSA-N -1 0 363.374 -0.330 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000740064308 600031099 /nfs/dbraw/zinc/03/10/99/600031099.db2.gz STGSGGYLFJTJHQ-QJPTWQEYSA-N -1 0 358.416 -0.655 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000740064311 600030957 /nfs/dbraw/zinc/03/09/57/600030957.db2.gz STGSGGYLFJTJHQ-SDDRHHMPSA-N -1 0 358.416 -0.655 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000740064313 600031057 /nfs/dbraw/zinc/03/10/57/600031057.db2.gz STGSGGYLFJTJHQ-SRVKXCTJSA-N -1 0 358.416 -0.655 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000740064317 600030965 /nfs/dbraw/zinc/03/09/65/600030965.db2.gz STGSGGYLFJTJHQ-TUAOUCFPSA-N -1 0 358.416 -0.655 20 0 FBADRM Cc1cc(CS(=O)(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)no1 ZINC000740075206 602993069 /nfs/dbraw/zinc/99/30/69/602993069.db2.gz KJWIROMDIUREQQ-UHFFFAOYSA-N -1 0 360.392 -0.433 20 0 FBADRM Cc1cc(CS(=O)(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)no1 ZINC000740076203 602993200 /nfs/dbraw/zinc/99/32/00/602993200.db2.gz UBYQZBFMHGYDLU-LLVKDONJSA-N -1 0 374.419 -0.091 20 0 FBADRM Cc1cc(CS(=O)(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)no1 ZINC000740076204 602993045 /nfs/dbraw/zinc/99/30/45/602993045.db2.gz UBYQZBFMHGYDLU-NSHDSACASA-N -1 0 374.419 -0.091 20 0 FBADRM Cc1cc(CN2CCN(C(=O)CN3CCN(C(=O)[O-])CC3=O)CC2)on1 ZINC000740077782 603013840 /nfs/dbraw/zinc/01/38/40/603013840.db2.gz ARNCDJWLBNINKG-UHFFFAOYSA-N -1 0 365.390 -0.551 20 0 FBADRM Cc1cc(NC(=O)C(=O)NCCNC(=O)[O-])ccc1N1C(=O)CCC1=O ZINC000740078341 602741446 /nfs/dbraw/zinc/74/14/46/602741446.db2.gz FDHRZZUAFIRTGG-UHFFFAOYSA-N -1 0 362.342 -0.029 20 0 FBADRM Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)ccc1-n1cnnn1 ZINC000740078421 602647542 /nfs/dbraw/zinc/64/75/42/602647542.db2.gz HVNIIVUTTMZKDP-LLVKDONJSA-N -1 0 359.346 -0.222 20 0 FBADRM Cc1cc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)ccc1-n1cnnn1 ZINC000740078422 602647528 /nfs/dbraw/zinc/64/75/28/602647528.db2.gz HVNIIVUTTMZKDP-NSHDSACASA-N -1 0 359.346 -0.222 20 0 FBADRM Cc1cc(CN2CCN(C(=O)CN3CCN(C(=O)[O-])CC3=O)CC2)no1 ZINC000740078527 603013977 /nfs/dbraw/zinc/01/39/77/603013977.db2.gz DDUZQCXXGBJNOU-UHFFFAOYSA-N -1 0 365.390 -0.551 20 0 FBADRM Cc1cc(NC(=O)C(=O)NCCCN2CCN(C(=O)[O-])CC2)n(C)n1 ZINC000740080483 602760235 /nfs/dbraw/zinc/76/02/35/602760235.db2.gz UOWGEMJXVASCLR-UHFFFAOYSA-N -1 0 352.395 -0.531 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)ccc1-n1cnnn1 ZINC000740080911 604569756 /nfs/dbraw/zinc/56/97/56/604569756.db2.gz XVFZERIQCJNCCY-LLVKDONJSA-N -1 0 359.346 -0.222 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)ccc1-n1cnnn1 ZINC000740080914 605117200 /nfs/dbraw/zinc/11/72/00/605117200.db2.gz XVFZERIQCJNCCY-NSHDSACASA-N -1 0 359.346 -0.222 20 0 FBADRM Cc1cc(N2CCN(C(=O)COCCNC(=O)[O-])CC2)n2ncnc2n1 ZINC000740081277 602660613 /nfs/dbraw/zinc/66/06/13/602660613.db2.gz VVUVVOSVUSILPB-UHFFFAOYSA-N -1 0 363.378 -0.634 20 0 FBADRM Cc1cc(NC(=O)CN2CCN(C(=O)CSCC(=O)[O-])CC2)no1 ZINC000740083467 597096356 /nfs/dbraw/zinc/09/63/56/597096356.db2.gz BCHQTAAGALDZDC-UHFFFAOYSA-N -1 0 356.404 -0.116 20 0 FBADRM Cc1cc(NC(=O)CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)no1 ZINC000740083770 603295198 /nfs/dbraw/zinc/29/51/98/603295198.db2.gz FBCMZZYZLOSUHC-UHFFFAOYSA-N -1 0 351.319 -0.014 20 0 FBADRM Cc1cc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)c(C(N)=O)cc1F ZINC000740083824 603008873 /nfs/dbraw/zinc/00/88/73/603008873.db2.gz GIUUAHWEWJIGHD-UHFFFAOYSA-N -1 0 352.322 -0.006 20 0 FBADRM Cc1cc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)ccc1-n1cnnn1 ZINC000740084128 602990502 /nfs/dbraw/zinc/99/05/02/602990502.db2.gz JSGMMYTXMQXWJX-UHFFFAOYSA-N -1 0 359.346 -0.269 20 0 FBADRM Cc1cc(NC(=O)CN2CCN(C(=O)COCCNC(=O)[O-])CC2)no1 ZINC000740084640 602659264 /nfs/dbraw/zinc/65/92/64/602659264.db2.gz QWDXUZCXTZEKQB-UHFFFAOYSA-N -1 0 369.378 -0.650 20 0 FBADRM Cc1cc(NC(=O)CN2CCN(C(=O)NCCCNC(=O)[O-])CC2)no1 ZINC000740084644 602404741 /nfs/dbraw/zinc/40/47/41/602404741.db2.gz QXCVJDNWWFOJOT-UHFFFAOYSA-N -1 0 368.394 -0.094 20 0 FBADRM Cc1cc(NC(=O)CN(C)C(=O)CN2CCN(C(=O)[O-])CC2=O)no1 ZINC000740084689 602987013 /nfs/dbraw/zinc/98/70/13/602987013.db2.gz SMTJYESSYSGACP-UHFFFAOYSA-N -1 0 353.335 -0.798 20 0 FBADRM Cc1cc(NC(=O)CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)n(C)n1 ZINC000740084705 603295435 /nfs/dbraw/zinc/29/54/35/603295435.db2.gz SUYXFXHHJIVTAK-UHFFFAOYSA-N -1 0 364.362 -0.269 20 0 FBADRM Cc1cc(NC(=O)[C@@H](C)OC(=O)CN2CCN(C(=O)[O-])CC2=O)on1 ZINC000740084817 603108235 /nfs/dbraw/zinc/10/82/35/603108235.db2.gz XGCDMGGLWDTHDH-SECBINFHSA-N -1 0 354.319 -0.325 20 0 FBADRM Cc1cc(NC(=O)[C@H](C)OC(=O)CN2CCN(C(=O)[O-])CC2=O)on1 ZINC000740084818 603107933 /nfs/dbraw/zinc/10/79/33/603107933.db2.gz XGCDMGGLWDTHDH-VIFPVBQESA-N -1 0 354.319 -0.325 20 0 FBADRM Cc1cc(NC(=O)CN2CCN(C(=O)NCCN(C)C(=O)[O-])CC2)no1 ZINC000740084910 602443000 /nfs/dbraw/zinc/44/30/00/602443000.db2.gz WHLYOKMXFXMHMY-UHFFFAOYSA-N -1 0 368.394 -0.141 20 0 FBADRM Cc1cc(NC(=O)COCCNC(=O)[O-])n([C@H]2CCS(=O)(=O)C2)n1 ZINC000740085142 602662338 /nfs/dbraw/zinc/66/23/38/602662338.db2.gz COCDILMAULZQEE-JTQLQIEISA-N -1 0 360.392 -0.226 20 0 FBADRM Cc1cc(NC(=O)COCCNC(=O)[O-])n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000740085147 602662314 /nfs/dbraw/zinc/66/23/14/602662314.db2.gz COCDILMAULZQEE-SNVBAGLBSA-N -1 0 360.392 -0.226 20 0 FBADRM Cc1cc(NC(=O)COC(=O)CN2CCN(C(=O)[O-])CC2=O)n(C)n1 ZINC000740086479 603109385 /nfs/dbraw/zinc/10/93/85/603109385.db2.gz NKLLETAUMQUEJV-UHFFFAOYSA-N -1 0 353.335 -0.968 20 0 FBADRM Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NCCCNC(=O)[O-])c1C ZINC000740092738 603411264 /nfs/dbraw/zinc/41/12/64/603411264.db2.gz CLBNKBAMQZQABY-UHFFFAOYSA-N -1 0 372.403 -0.337 20 0 FBADRM Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NCCNC(=O)[O-])c1C ZINC000740095155 603402507 /nfs/dbraw/zinc/40/25/07/603402507.db2.gz YKINJRAPRMNFIP-UHFFFAOYSA-N -1 0 358.376 -0.727 20 0 FBADRM Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NCCN(C)C(=O)[O-])c1C ZINC000740095304 602765617 /nfs/dbraw/zinc/76/56/17/602765617.db2.gz ZMQZLFSLWZSGAP-UHFFFAOYSA-N -1 0 372.403 -0.385 20 0 FBADRM Cc1ccc(-n2cnnn2)cc1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740100535 602993347 /nfs/dbraw/zinc/99/33/47/602993347.db2.gz SJYDFIJYEOSXQS-UHFFFAOYSA-N -1 0 359.346 -0.269 20 0 FBADRM Cc1ccc(C(=O)NCCNC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000740106936 603005342 /nfs/dbraw/zinc/00/53/42/603005342.db2.gz MRJMTXAMWVTEQU-UHFFFAOYSA-N -1 0 362.386 -0.337 20 0 FBADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)nc1 ZINC000740109722 600538290 /nfs/dbraw/zinc/53/82/90/600538290.db2.gz FVENRLYRKOSZLJ-CYBMUJFWSA-N -1 0 362.386 -0.557 20 0 FBADRM O=C([O-])c1ccc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)nc1 ZINC000740109723 600538486 /nfs/dbraw/zinc/53/84/86/600538486.db2.gz FVENRLYRKOSZLJ-ZDUSSCGKSA-N -1 0 362.386 -0.557 20 0 FBADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)nc1 ZINC000740111069 600025062 /nfs/dbraw/zinc/02/50/62/600025062.db2.gz RKECFTMNYJXQQV-CHWSQXEVSA-N -1 0 369.399 -0.993 20 0 FBADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)nc1 ZINC000740111070 600025100 /nfs/dbraw/zinc/02/51/00/600025100.db2.gz RKECFTMNYJXQQV-OLZOCXBDSA-N -1 0 369.399 -0.993 20 0 FBADRM O=C([O-])c1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)nc1 ZINC000740111071 600024905 /nfs/dbraw/zinc/02/49/05/600024905.db2.gz RKECFTMNYJXQQV-QWHCGFSZSA-N -1 0 369.399 -0.993 20 0 FBADRM O=C([O-])c1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)nc1 ZINC000740111072 600025061 /nfs/dbraw/zinc/02/50/61/600025061.db2.gz RKECFTMNYJXQQV-STQMWFEESA-N -1 0 369.399 -0.993 20 0 FBADRM Cc1ccc([C@H](O)CNC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)o1 ZINC000740116487 603082884 /nfs/dbraw/zinc/08/28/84/603082884.db2.gz LYZYKHMMGPESFU-LLVKDONJSA-N -1 0 354.363 -0.257 20 0 FBADRM Cc1ccc([C@@H](O)CNC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)o1 ZINC000740116491 603083000 /nfs/dbraw/zinc/08/30/00/603083000.db2.gz LYZYKHMMGPESFU-NSHDSACASA-N -1 0 354.363 -0.257 20 0 FBADRM O=C([O-])c1ccc(CCC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 ZINC000740121805 600069031 /nfs/dbraw/zinc/06/90/31/600069031.db2.gz NJAKTFFWOAEVPR-UHFFFAOYSA-N -1 0 372.385 -0.325 20 0 FBADRM Cc1ccc(CNC(=O)COC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000740125332 603111215 /nfs/dbraw/zinc/11/12/15/603111215.db2.gz CTAFPATYUBQLCS-UHFFFAOYSA-N -1 0 363.370 -0.023 20 0 FBADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)o1 ZINC000740125424 600496212 /nfs/dbraw/zinc/49/62/12/600496212.db2.gz BIZSHHRLGCOANW-GFCCVEGCSA-N -1 0 365.386 -0.225 20 0 FBADRM O=C([O-])c1ccc(CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)o1 ZINC000740125426 600496323 /nfs/dbraw/zinc/49/63/23/600496323.db2.gz BIZSHHRLGCOANW-LBPRGKRZSA-N -1 0 365.386 -0.225 20 0 FBADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)o1 ZINC000740126002 600498722 /nfs/dbraw/zinc/49/87/22/600498722.db2.gz ZCXRLRXPVHXZOV-NXEZZACHSA-N -1 0 370.383 -0.370 20 0 FBADRM O=C([O-])c1ccc(CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)o1 ZINC000740126003 600498577 /nfs/dbraw/zinc/49/85/77/600498577.db2.gz ZCXRLRXPVHXZOV-UWVGGRQHSA-N -1 0 370.383 -0.370 20 0 FBADRM O=C([O-])c1ccc(CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)o1 ZINC000740126004 600498850 /nfs/dbraw/zinc/49/88/50/600498850.db2.gz ZCXRLRXPVHXZOV-VHSXEESVSA-N -1 0 370.383 -0.370 20 0 FBADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)o1 ZINC000740126005 600498669 /nfs/dbraw/zinc/49/86/69/600498669.db2.gz ZCXRLRXPVHXZOV-ZJUUUORDSA-N -1 0 370.383 -0.370 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)CNC(=O)[O-])cc1S(N)(=O)=O ZINC000740131887 603418196 /nfs/dbraw/zinc/41/81/96/603418196.db2.gz KXEBJQDKIKVIHS-SECBINFHSA-N -1 0 372.403 -0.305 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N(C)[C@@H](C)CNC(=O)[O-])cc1S(N)(=O)=O ZINC000740131888 603418173 /nfs/dbraw/zinc/41/81/73/603418173.db2.gz KXEBJQDKIKVIHS-VIFPVBQESA-N -1 0 372.403 -0.305 20 0 FBADRM Cc1ccc(NC(=O)C(=O)NCC(=O)[O-])c(C)c1S(=O)(=O)NC1CC1 ZINC000740133036 597081416 /nfs/dbraw/zinc/08/14/16/597081416.db2.gz CXEYIPHLZWAHNM-UHFFFAOYSA-N -1 0 369.399 -0.117 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N(C)CCCNC(=O)[O-])cc1S(N)(=O)=O ZINC000740134181 603426129 /nfs/dbraw/zinc/42/61/29/603426129.db2.gz RLKHJLHSRSUJJB-UHFFFAOYSA-N -1 0 372.403 -0.303 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1-n1cnnn1 ZINC000740134352 602650167 /nfs/dbraw/zinc/65/01/67/602650167.db2.gz HWPQGVTZWLBNQK-LLVKDONJSA-N -1 0 359.346 -0.222 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1-n1cnnn1 ZINC000740134353 602650225 /nfs/dbraw/zinc/65/02/25/602650225.db2.gz HWPQGVTZWLBNQK-NSHDSACASA-N -1 0 359.346 -0.222 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)cc1-n1cnnn1 ZINC000740134381 604572055 /nfs/dbraw/zinc/57/20/55/604572055.db2.gz IIHJHPIVLVPZPA-LLVKDONJSA-N -1 0 359.346 -0.222 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)cc1-n1cnnn1 ZINC000740134382 605119360 /nfs/dbraw/zinc/11/93/60/605119360.db2.gz IIHJHPIVLVPZPA-NSHDSACASA-N -1 0 359.346 -0.222 20 0 FBADRM Cc1ccc(NC(=O)C(=O)NCCN(C)C(=O)[O-])cc1S(N)(=O)=O ZINC000740134453 602767819 /nfs/dbraw/zinc/76/78/19/602767819.db2.gz KIHJVPGJVKXVEE-UHFFFAOYSA-N -1 0 358.376 -0.693 20 0 FBADRM Cc1ccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1S(N)(=O)=O ZINC000740134549 603014091 /nfs/dbraw/zinc/01/40/91/603014091.db2.gz DOJYHEQDXJMWAI-UHFFFAOYSA-N -1 0 370.387 -0.597 20 0 FBADRM O=C([O-])c1ccc(Cl)c(S(=O)(=O)NCCN2C(=O)CNC2=O)c1 ZINC000740134615 600651610 /nfs/dbraw/zinc/65/16/10/600651610.db2.gz GYUKRZQIDJQORQ-UHFFFAOYSA-N -1 0 361.763 -0.132 20 0 FBADRM Cc1ccc(NC(=O)C(=O)NCC[C@@H](C)NC(=O)[O-])cc1S(N)(=O)=O ZINC000740134924 603406010 /nfs/dbraw/zinc/40/60/10/603406010.db2.gz KZFFTWIUVQVDKC-SECBINFHSA-N -1 0 372.403 -0.257 20 0 FBADRM Cc1ccc(NC(=O)C(=O)NCC[C@H](C)NC(=O)[O-])cc1S(N)(=O)=O ZINC000740134926 603405795 /nfs/dbraw/zinc/40/57/95/603405795.db2.gz KZFFTWIUVQVDKC-VIFPVBQESA-N -1 0 372.403 -0.257 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000740134976 603418062 /nfs/dbraw/zinc/41/80/62/603418062.db2.gz LQXXYMCJXBHFIJ-JTQLQIEISA-N -1 0 370.387 -0.551 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000740134978 603418222 /nfs/dbraw/zinc/41/82/22/603418222.db2.gz LQXXYMCJXBHFIJ-SNVBAGLBSA-N -1 0 370.387 -0.551 20 0 FBADRM Cc1ccc(NC(=O)C(=O)NCCCNC(=O)[O-])cc1S(N)(=O)=O ZINC000740135073 603411321 /nfs/dbraw/zinc/41/13/21/603411321.db2.gz NGXFYUXNWUBZKK-UHFFFAOYSA-N -1 0 358.376 -0.645 20 0 FBADRM Cc1ccc(NC(=O)CN2CC[C@@H](NC(=O)[O-])C2)cc1S(N)(=O)=O ZINC000740135252 604431785 /nfs/dbraw/zinc/43/17/85/604431785.db2.gz IHJVKIYFXJXMET-LLVKDONJSA-N -1 0 356.404 -0.077 20 0 FBADRM Cc1ccc(NC(=O)CN2CC[C@H](NC(=O)[O-])C2)cc1S(N)(=O)=O ZINC000740135256 605934081 /nfs/dbraw/zinc/93/40/81/605934081.db2.gz IHJVKIYFXJXMET-NSHDSACASA-N -1 0 356.404 -0.077 20 0 FBADRM Cc1ccc(NC(=O)COC(=O)CN(C)C(=O)[O-])cc1S(N)(=O)=O ZINC000740135695 602208713 /nfs/dbraw/zinc/20/87/13/602208713.db2.gz MIHNERBUXRWEEA-UHFFFAOYSA-N -1 0 359.360 -0.266 20 0 FBADRM Cc1ccc(NC(=O)C(=O)NCCCN(C)C(=O)[O-])cc1S(N)(=O)=O ZINC000740135833 603429483 /nfs/dbraw/zinc/42/94/83/603429483.db2.gz RZGHMNZOSNVRCW-UHFFFAOYSA-N -1 0 372.403 -0.303 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)cc1S(N)(=O)=O ZINC000740136626 605119235 /nfs/dbraw/zinc/11/92/35/605119235.db2.gz URALUVJDERSMBM-JTQLQIEISA-N -1 0 370.387 -0.551 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)cc1S(N)(=O)=O ZINC000740136627 604566850 /nfs/dbraw/zinc/56/68/50/604566850.db2.gz URALUVJDERSMBM-SNVBAGLBSA-N -1 0 370.387 -0.551 20 0 FBADRM Cc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1N1CCCS1(=O)=O ZINC000740136725 597081350 /nfs/dbraw/zinc/08/13/50/597081350.db2.gz XCKJBMOMRONLSB-UHFFFAOYSA-N -1 0 355.372 -0.326 20 0 FBADRM O=C([O-])c1ccc(CS(=O)(=O)NCCCN2C(=O)CNC2=O)cc1 ZINC000740136796 599869181 /nfs/dbraw/zinc/86/91/81/599869181.db2.gz QCOPFNPOIHQEGB-UHFFFAOYSA-N -1 0 355.372 -0.254 20 0 FBADRM Cc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000740137134 597081274 /nfs/dbraw/zinc/08/12/74/597081274.db2.gz XTJZJNURCUGZKP-UHFFFAOYSA-N -1 0 355.372 -0.425 20 0 FBADRM Cc1ccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1-n1cnnn1 ZINC000740137442 602991897 /nfs/dbraw/zinc/99/18/97/602991897.db2.gz YUAFAODLPJYFDQ-UHFFFAOYSA-N -1 0 359.346 -0.269 20 0 FBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)NCCCN2C(=O)CNC2=O)c1 ZINC000740143261 599869256 /nfs/dbraw/zinc/86/92/56/599869256.db2.gz FQQRFTOCBYDFCL-UHFFFAOYSA-N -1 0 359.335 -0.256 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000740145820 603065224 /nfs/dbraw/zinc/06/52/24/603065224.db2.gz AVPAXIRGPGINSY-AAEUAGOBSA-N -1 0 371.415 -0.497 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000740145824 603065292 /nfs/dbraw/zinc/06/52/92/603065292.db2.gz AVPAXIRGPGINSY-DGCLKSJQSA-N -1 0 371.415 -0.497 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000740145828 603065419 /nfs/dbraw/zinc/06/54/19/603065419.db2.gz AVPAXIRGPGINSY-WCQYABFASA-N -1 0 371.415 -0.497 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000740145832 603065279 /nfs/dbraw/zinc/06/52/79/603065279.db2.gz AVPAXIRGPGINSY-YPMHNXCESA-N -1 0 371.415 -0.497 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2COCCN2C(=O)[O-])cc1 ZINC000740145957 602837576 /nfs/dbraw/zinc/83/75/76/602837576.db2.gz CSVPMOIKIFMSQY-CYBMUJFWSA-N -1 0 371.415 -0.232 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2COCCN2C(=O)[O-])cc1 ZINC000740145960 602837569 /nfs/dbraw/zinc/83/75/69/602837569.db2.gz CSVPMOIKIFMSQY-ZDUSSCGKSA-N -1 0 371.415 -0.232 20 0 FBADRM Cc1ccc2c(c1)N(C(=O)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)CC2 ZINC000740152767 602762762 /nfs/dbraw/zinc/76/27/62/602762762.db2.gz HXUWDCZLDHOOLH-UHFFFAOYSA-N -1 0 374.397 -0.177 20 0 FBADRM Cc1ccc2nc(COC(=O)CN3CCN(C(=O)[O-])CC3=O)cc(=O)n2c1 ZINC000740157925 602991903 /nfs/dbraw/zinc/99/19/03/602991903.db2.gz SHKNRYKMZBHBCZ-UHFFFAOYSA-N -1 0 374.353 -0.132 20 0 FBADRM Cc1cccc(C(=O)NCCNC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000740163021 602995092 /nfs/dbraw/zinc/99/50/92/602995092.db2.gz SBDCYAMCLVXBQH-UHFFFAOYSA-N -1 0 362.386 -0.337 20 0 FBADRM Cc1cccc(CNC(=O)COC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000740170704 603111085 /nfs/dbraw/zinc/11/10/85/603111085.db2.gz OIBYKQNPATWJAJ-UHFFFAOYSA-N -1 0 363.370 -0.023 20 0 FBADRM Cc1cccc(OC[C@H](O)CNC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000740172735 603101398 /nfs/dbraw/zinc/10/13/98/603101398.db2.gz RZBCVBZJJLMQGX-CYBMUJFWSA-N -1 0 365.386 -0.327 20 0 FBADRM Cc1cccc(OC[C@@H](O)CNC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000740172738 603101625 /nfs/dbraw/zinc/10/16/25/603101625.db2.gz RZBCVBZJJLMQGX-ZDUSSCGKSA-N -1 0 365.386 -0.327 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)NCCCN2CCCS2(=O)=O)o1 ZINC000740175264 599777397 /nfs/dbraw/zinc/77/73/97/599777397.db2.gz IXAYWSZLKUKYIJ-UHFFFAOYSA-N -1 0 352.390 -0.318 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)NCCN2C(=O)CNC2=O)c(Cl)c1 ZINC000740176412 600651613 /nfs/dbraw/zinc/65/16/13/600651613.db2.gz ASBGFHJMCVYXKV-UHFFFAOYSA-N -1 0 361.763 -0.132 20 0 FBADRM Cc1cccc2c1N(C(=O)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)CC2 ZINC000740178713 602762933 /nfs/dbraw/zinc/76/29/33/602762933.db2.gz HJGVXHPWXKVPFM-UHFFFAOYSA-N -1 0 374.397 -0.177 20 0 FBADRM Cc1ccccc1CNC(=O)COC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740184245 603111113 /nfs/dbraw/zinc/11/11/13/603111113.db2.gz OOTZBHURXXKHDL-UHFFFAOYSA-N -1 0 363.370 -0.023 20 0 FBADRM Cc1ccn2c(=O)cc(COC(=O)CN3CCN(C(=O)[O-])CC3=O)nc2c1 ZINC000740191932 603107852 /nfs/dbraw/zinc/10/78/52/603107852.db2.gz AJOLNUYQYBKRBH-UHFFFAOYSA-N -1 0 374.353 -0.132 20 0 FBADRM Cc1cccn2c(=O)cc(COC(=O)CN3CCN(C(=O)[O-])CC3=O)nc12 ZINC000740192147 603107874 /nfs/dbraw/zinc/10/78/74/603107874.db2.gz XRWLXMWIVPQVDS-UHFFFAOYSA-N -1 0 374.353 -0.132 20 0 FBADRM Cc1ccn2ncc(C(=O)N(C)CC(=O)N3CCN(C(=O)[O-])CC3)c2n1 ZINC000740192514 602170819 /nfs/dbraw/zinc/17/08/19/602170819.db2.gz DSOUSXBVIFDFBM-UHFFFAOYSA-N -1 0 360.374 -0.068 20 0 FBADRM Cc1ccnc(NC(=O)CN(C)C(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000740194730 603024133 /nfs/dbraw/zinc/02/41/33/603024133.db2.gz IQKSJJTXECCTKC-UHFFFAOYSA-N -1 0 363.374 -0.391 20 0 FBADRM Cc1cnc(N2CCN(C(=O)CN3CCN(C(=O)[O-])CC3=O)CC2)s1 ZINC000740196183 603030506 /nfs/dbraw/zinc/03/05/06/603030506.db2.gz INYFRKLFDDABRW-UHFFFAOYSA-N -1 0 367.431 -0.078 20 0 FBADRM Cc1ccoc1C(=O)NCCCNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740198074 603009344 /nfs/dbraw/zinc/00/93/44/603009344.db2.gz ZKHFGKHGFUFILB-UHFFFAOYSA-N -1 0 366.374 -0.354 20 0 FBADRM Cc1cnn(C[C@H]2CN(C(=O)CN3CCN(C(=O)[O-])CC3=O)CCO2)c1 ZINC000740200528 603029352 /nfs/dbraw/zinc/02/93/52/603029352.db2.gz KLJAXBLREXXDFL-CYBMUJFWSA-N -1 0 365.390 -0.759 20 0 FBADRM Cc1cnn(C[C@@H]2CN(C(=O)CN3CCN(C(=O)[O-])CC3=O)CCO2)c1 ZINC000740200529 603029258 /nfs/dbraw/zinc/02/92/58/603029258.db2.gz KLJAXBLREXXDFL-ZDUSSCGKSA-N -1 0 365.390 -0.759 20 0 FBADRM Cc1cnn(CCNC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)c1 ZINC000740201085 603047878 /nfs/dbraw/zinc/04/78/78/603047878.db2.gz OGGTVDRKNUSEAR-CYBMUJFWSA-N -1 0 366.422 -0.003 20 0 FBADRM Cc1cnn(CCNC(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)c1 ZINC000740201089 603047931 /nfs/dbraw/zinc/04/79/31/603047931.db2.gz OGGTVDRKNUSEAR-ZDUSSCGKSA-N -1 0 366.422 -0.003 20 0 FBADRM Cc1n[nH]c(C)c1NC(=O)CN(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000740202396 603236377 /nfs/dbraw/zinc/23/63/77/603236377.db2.gz DMVULBIGAYFIDN-UHFFFAOYSA-N -1 0 352.395 -0.281 20 0 FBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000740203500 602270620 /nfs/dbraw/zinc/27/06/20/602270620.db2.gz KDQXOIXPRZLOBK-LLVKDONJSA-N -1 0 373.435 -0.189 20 0 FBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000740203503 602270520 /nfs/dbraw/zinc/27/05/20/602270520.db2.gz KDQXOIXPRZLOBK-NSHDSACASA-N -1 0 373.435 -0.189 20 0 FBADRM Cc1csc(N2CCN(C(=O)CN3CCN(C(=O)[O-])CC3=O)CC2)n1 ZINC000740207579 603015216 /nfs/dbraw/zinc/01/52/16/603015216.db2.gz LOSLQMYVBOJUIG-UHFFFAOYSA-N -1 0 367.431 -0.078 20 0 FBADRM O=C([O-])c1cccc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)n1 ZINC000740214500 600185798 /nfs/dbraw/zinc/18/57/98/600185798.db2.gz JRVHUYDOCTXOIP-GFCCVEGCSA-N -1 0 362.386 -0.557 20 0 FBADRM O=C([O-])c1cccc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)n1 ZINC000740214501 600185607 /nfs/dbraw/zinc/18/56/07/600185607.db2.gz JRVHUYDOCTXOIP-LBPRGKRZSA-N -1 0 362.386 -0.557 20 0 FBADRM O=C([O-])c1cccc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)n1 ZINC000740215395 600275477 /nfs/dbraw/zinc/27/54/77/600275477.db2.gz QHMJFGVUDBWODO-LLVKDONJSA-N -1 0 371.415 -0.002 20 0 FBADRM O=C([O-])c1cccc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)n1 ZINC000740215397 600275524 /nfs/dbraw/zinc/27/55/24/600275524.db2.gz QHMJFGVUDBWODO-NSHDSACASA-N -1 0 371.415 -0.002 20 0 FBADRM O=C([O-])c1cccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)n1 ZINC000740215421 600024785 /nfs/dbraw/zinc/02/47/85/600024785.db2.gz RPBGGARUUBOXNC-CHWSQXEVSA-N -1 0 369.399 -0.993 20 0 FBADRM O=C([O-])c1cccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)n1 ZINC000740215423 600025071 /nfs/dbraw/zinc/02/50/71/600025071.db2.gz RPBGGARUUBOXNC-OLZOCXBDSA-N -1 0 369.399 -0.993 20 0 FBADRM O=C([O-])c1cccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)n1 ZINC000740215425 600025072 /nfs/dbraw/zinc/02/50/72/600025072.db2.gz RPBGGARUUBOXNC-QWHCGFSZSA-N -1 0 369.399 -0.993 20 0 FBADRM O=C([O-])c1cccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)n1 ZINC000740215428 600024813 /nfs/dbraw/zinc/02/48/13/600024813.db2.gz RPBGGARUUBOXNC-STQMWFEESA-N -1 0 369.399 -0.993 20 0 FBADRM Cc1nc(C(C)(C)NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)no1 ZINC000740216283 602665315 /nfs/dbraw/zinc/66/53/15/602665315.db2.gz ZVYOXIGDYHMMJM-UHFFFAOYSA-N -1 0 354.367 -0.265 20 0 FBADRM Cc1nc(C)n([C@@H]2CCCN(C(=O)CN3CCN(C(=O)[O-])CC3=O)C2)n1 ZINC000740217750 603027000 /nfs/dbraw/zinc/02/70/00/603027000.db2.gz LALAYXNRTQEAML-CYBMUJFWSA-N -1 0 364.406 -0.119 20 0 FBADRM Cc1nc(C)n([C@H]2CCCN(C(=O)CN3CCN(C(=O)[O-])CC3=O)C2)n1 ZINC000740217752 603026915 /nfs/dbraw/zinc/02/69/15/603026915.db2.gz LALAYXNRTQEAML-ZDUSSCGKSA-N -1 0 364.406 -0.119 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NCCCN(C(=O)[O-])C2CC2)cn1C ZINC000740218385 602026480 /nfs/dbraw/zinc/02/64/80/602026480.db2.gz AIGRZEVRCDVLOL-UHFFFAOYSA-N -1 0 373.435 -0.344 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC(CNC(=O)[O-])CC2)cn1C ZINC000740218405 602029355 /nfs/dbraw/zinc/02/93/55/602029355.db2.gz BFWIETLGHXWYCE-UHFFFAOYSA-N -1 0 373.435 -0.487 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)C(=O)[O-])CC2)cn1C ZINC000740218431 602243598 /nfs/dbraw/zinc/24/35/98/602243598.db2.gz CDBANOITVRHCRY-SECBINFHSA-N -1 0 358.420 -0.281 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)[O-])CC2)cn1C ZINC000740218432 597306827 /nfs/dbraw/zinc/30/68/27/597306827.db2.gz CDBANOITVRHCRY-VIFPVBQESA-N -1 0 358.420 -0.281 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NCCN(C(=O)[O-])C2CC2)cn1C ZINC000740218474 602028186 /nfs/dbraw/zinc/02/81/86/602028186.db2.gz DLBIMKSDRVEWJG-UHFFFAOYSA-N -1 0 373.435 -0.344 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)NC(=O)[O-])CC2)cs1 ZINC000740218475 602313851 /nfs/dbraw/zinc/31/38/51/602313851.db2.gz DNWIKSVDXVUAAS-MRVPVSSYSA-N -1 0 362.433 -0.059 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H](C)NC(=O)[O-])CC2)cs1 ZINC000740218476 602313830 /nfs/dbraw/zinc/31/38/30/602313830.db2.gz DNWIKSVDXVUAAS-QMMMGPOBSA-N -1 0 362.433 -0.059 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)CN(C[C@H]3CCCO3)C(=O)[O-])CC2)[nH]1 ZINC000740218535 602911659 /nfs/dbraw/zinc/91/16/59/602911659.db2.gz IRJYVFTTWDNLKG-CYBMUJFWSA-N -1 0 366.422 -0.084 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)CN(C[C@@H]3CCCO3)C(=O)[O-])CC2)[nH]1 ZINC000740218537 602911689 /nfs/dbraw/zinc/91/16/89/602911689.db2.gz IRJYVFTTWDNLKG-ZDUSSCGKSA-N -1 0 366.422 -0.084 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCC(C(=O)NCCC(=O)[O-])CC2)cn1C ZINC000740218994 597115239 /nfs/dbraw/zinc/11/52/39/597115239.db2.gz GBOVARWNTRVTID-UHFFFAOYSA-N -1 0 358.420 -0.280 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NC[C@H](NC(=O)[O-])C(C)C)cn1C ZINC000740219022 602776265 /nfs/dbraw/zinc/77/62/65/602776265.db2.gz HDLICEXMNGIQMF-JTQLQIEISA-N -1 0 361.424 -0.585 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H](NC(=O)[O-])C(C)C)cn1C ZINC000740219023 602776237 /nfs/dbraw/zinc/77/62/37/602776237.db2.gz HDLICEXMNGIQMF-SNVBAGLBSA-N -1 0 361.424 -0.585 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)[O-])C[C@@H]2C)cn1C ZINC000740219027 605704863 /nfs/dbraw/zinc/70/48/63/605704863.db2.gz HHNQQGVBZCARGB-JTQLQIEISA-N -1 0 373.435 -0.392 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)[O-])C[C@H]2C)cn1C ZINC000740219028 605706665 /nfs/dbraw/zinc/70/66/65/605706665.db2.gz HHNQQGVBZCARGB-SNVBAGLBSA-N -1 0 373.435 -0.392 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CCN(C(=O)[O-])C2)cn1C ZINC000740219041 602536539 /nfs/dbraw/zinc/53/65/39/602536539.db2.gz HUSAFQGXUNWXFG-JTQLQIEISA-N -1 0 359.408 -0.735 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CCN(C(=O)[O-])C2)cn1C ZINC000740219042 602536428 /nfs/dbraw/zinc/53/64/28/602536428.db2.gz HUSAFQGXUNWXFG-SNVBAGLBSA-N -1 0 359.408 -0.735 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CCC[C@@H](NC(=O)[O-])C2)cn1C ZINC000740219049 602026598 /nfs/dbraw/zinc/02/65/98/602026598.db2.gz IANZNOANGRCSJB-LLVKDONJSA-N -1 0 373.435 -0.344 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CCC[C@H](NC(=O)[O-])C2)cn1C ZINC000740219050 602026587 /nfs/dbraw/zinc/02/65/87/602026587.db2.gz IANZNOANGRCSJB-NSHDSACASA-N -1 0 373.435 -0.344 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCCC[C@@H]2CNC(=O)[O-])cn1C ZINC000740219051 602290788 /nfs/dbraw/zinc/29/07/88/602290788.db2.gz IBEYJOJSDWLDTO-LLVKDONJSA-N -1 0 373.435 -0.344 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCCC[C@H]2CNC(=O)[O-])cn1C ZINC000740219052 602290622 /nfs/dbraw/zinc/29/06/22/602290622.db2.gz IBEYJOJSDWLDTO-NSHDSACASA-N -1 0 373.435 -0.344 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@H](CNC(=O)[O-])C2)cn1C ZINC000740219053 602034798 /nfs/dbraw/zinc/03/47/98/602034798.db2.gz IBQGWAJTGHLWPG-LLVKDONJSA-N -1 0 373.435 -0.487 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@@H](CNC(=O)[O-])C2)cn1C ZINC000740219054 602034667 /nfs/dbraw/zinc/03/46/67/602034667.db2.gz IBQGWAJTGHLWPG-NSHDSACASA-N -1 0 373.435 -0.487 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N(C)C2CCN(C(=O)[O-])CC2)cn1C ZINC000740219056 602289906 /nfs/dbraw/zinc/28/99/06/602289906.db2.gz ICPHOJHOIJKADJ-UHFFFAOYSA-N -1 0 373.435 -0.392 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)cn1C ZINC000740219429 601970642 /nfs/dbraw/zinc/97/06/42/601970642.db2.gz IFJWJSIXCWJEBK-LLVKDONJSA-N -1 0 373.435 -0.487 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)cn1C ZINC000740219434 601970259 /nfs/dbraw/zinc/97/02/59/601970259.db2.gz IFJWJSIXCWJEBK-NSHDSACASA-N -1 0 373.435 -0.487 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[O-])[C@H](C)C2)cn1C ZINC000740219484 602937515 /nfs/dbraw/zinc/93/75/15/602937515.db2.gz IOIRTMMFUSGCJM-SECBINFHSA-N -1 0 359.408 -0.782 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)cn1C ZINC000740219489 602937409 /nfs/dbraw/zinc/93/74/09/602937409.db2.gz IOIRTMMFUSGCJM-VIFPVBQESA-N -1 0 359.408 -0.782 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N[C@H](CNC(=O)[O-])C2CC2)cn1C ZINC000740219508 603058854 /nfs/dbraw/zinc/05/88/54/603058854.db2.gz ISAISRXKZNZNCQ-LLVKDONJSA-N -1 0 373.435 -0.441 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H](CNC(=O)[O-])C2CC2)cn1C ZINC000740219511 603058878 /nfs/dbraw/zinc/05/88/78/603058878.db2.gz ISAISRXKZNZNCQ-NSHDSACASA-N -1 0 373.435 -0.441 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N[C@@H](CNC(=O)[O-])C2CC2)cn1C ZINC000740219641 603049398 /nfs/dbraw/zinc/04/93/98/603049398.db2.gz JSHUPFMRFZIMPR-JTQLQIEISA-N -1 0 359.408 -0.831 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N[C@H](CNC(=O)[O-])C2CC2)cn1C ZINC000740219644 603049190 /nfs/dbraw/zinc/04/91/90/603049190.db2.gz JSHUPFMRFZIMPR-SNVBAGLBSA-N -1 0 359.408 -0.831 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)cn1C ZINC000740219648 602805502 /nfs/dbraw/zinc/80/55/02/602805502.db2.gz JUFWDQJDGISKQQ-AOOOYVTPSA-N -1 0 373.435 -0.394 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2C[C@@H](C)N(C(=O)[O-])[C@H](C)C2)cn1C ZINC000740219652 602806212 /nfs/dbraw/zinc/80/62/12/602806212.db2.gz JUFWDQJDGISKQQ-NXEZZACHSA-N -1 0 373.435 -0.394 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2C[C@H](C)N(C(=O)[O-])[C@@H](C)C2)cn1C ZINC000740219656 602806005 /nfs/dbraw/zinc/80/60/05/602806005.db2.gz JUFWDQJDGISKQQ-UWVGGRQHSA-N -1 0 373.435 -0.394 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NCC[C@@H](C)NC(=O)[O-])cn1C ZINC000740219726 602029755 /nfs/dbraw/zinc/02/97/55/602029755.db2.gz KXMWFEHSDWJDDR-SECBINFHSA-N -1 0 361.424 -0.441 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NCC[C@H](C)NC(=O)[O-])cn1C ZINC000740219729 602029238 /nfs/dbraw/zinc/02/92/38/602029238.db2.gz KXMWFEHSDWJDDR-VIFPVBQESA-N -1 0 361.424 -0.441 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N(C)CCCNC(=O)[O-])cn1C ZINC000740219741 603237538 /nfs/dbraw/zinc/23/75/38/603237538.db2.gz LPLYWAHCCAZICI-UHFFFAOYSA-N -1 0 361.424 -0.487 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NCCCN(C)C(=O)[O-])cn1C ZINC000740219759 602025421 /nfs/dbraw/zinc/02/54/21/602025421.db2.gz MCFGMYRULZAADI-UHFFFAOYSA-N -1 0 361.424 -0.487 20 0 FBADRM Cc1nc(S(=O)(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)cn1C ZINC000740219762 601970789 /nfs/dbraw/zinc/97/07/89/601970789.db2.gz MDYIYNCZAKYBMS-UHFFFAOYSA-N -1 0 359.408 -0.829 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC[C@H](NC(=O)[O-])C2)cn1C ZINC000740219763 602026544 /nfs/dbraw/zinc/02/65/44/602026544.db2.gz MFEZGUBMYASPTL-JTQLQIEISA-N -1 0 359.408 -0.735 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC[C@@H](NC(=O)[O-])C2)cn1C ZINC000740219764 602026861 /nfs/dbraw/zinc/02/68/61/602026861.db2.gz MFEZGUBMYASPTL-SNVBAGLBSA-N -1 0 359.408 -0.735 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)cn1C ZINC000740220124 837843941 /nfs/dbraw/zinc/84/39/41/837843941.db2.gz OBKCDUFHBSHVSC-LLVKDONJSA-N -1 0 373.435 -0.487 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)cn1C ZINC000740220125 837844478 /nfs/dbraw/zinc/84/44/78/837844478.db2.gz OBKCDUFHBSHVSC-NSHDSACASA-N -1 0 373.435 -0.487 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)cn1C ZINC000740220127 602490061 /nfs/dbraw/zinc/49/00/61/602490061.db2.gz OCHMIOJAKQGROQ-LLVKDONJSA-N -1 0 373.435 -0.535 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)cn1C ZINC000740220129 602490100 /nfs/dbraw/zinc/49/01/00/602490100.db2.gz OCHMIOJAKQGROQ-NSHDSACASA-N -1 0 373.435 -0.535 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NC2(CNC(=O)[O-])CCCC2)cn1C ZINC000740220154 602519914 /nfs/dbraw/zinc/51/99/14/602519914.db2.gz OMAJZACCGKHGPV-UHFFFAOYSA-N -1 0 373.435 -0.297 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NC[C@H]2CCCCN2C(=O)[O-])cn1C ZINC000740220162 602027830 /nfs/dbraw/zinc/02/78/30/602027830.db2.gz OPOQHGRCINSGGR-LLVKDONJSA-N -1 0 373.435 -0.344 20 0 FBADRM Cc1nc(CN2CCCN(C(=O)[C@H]3COCCN3C(=O)[O-])CC2)no1 ZINC000740220163 602899826 /nfs/dbraw/zinc/89/98/26/602899826.db2.gz SJLYADIKBXMSLT-GFCCVEGCSA-N -1 0 353.379 -0.209 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCCN2C(=O)[O-])cn1C ZINC000740220164 602028166 /nfs/dbraw/zinc/02/81/66/602028166.db2.gz OPOQHGRCINSGGR-NSHDSACASA-N -1 0 373.435 -0.344 20 0 FBADRM Cc1nc(CN2CCCN(C(=O)[C@@H]3COCCN3C(=O)[O-])CC2)no1 ZINC000740220165 602899766 /nfs/dbraw/zinc/89/97/66/602899766.db2.gz SJLYADIKBXMSLT-LBPRGKRZSA-N -1 0 353.379 -0.209 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@H](NC(=O)[O-])C2)cn1C ZINC000740220172 605130409 /nfs/dbraw/zinc/13/04/09/605130409.db2.gz OUALTUDTRVKOOC-JTQLQIEISA-N -1 0 359.408 -0.735 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@@H](NC(=O)[O-])C2)cn1C ZINC000740220175 604464289 /nfs/dbraw/zinc/46/42/89/604464289.db2.gz OUALTUDTRVKOOC-SNVBAGLBSA-N -1 0 359.408 -0.735 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NCCN(C(=O)[O-])C2CC2)cn1C ZINC000740220199 602027992 /nfs/dbraw/zinc/02/79/92/602027992.db2.gz OZOQXGZGQKWMRK-UHFFFAOYSA-N -1 0 359.408 -0.735 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cn1C ZINC000740220208 603355482 /nfs/dbraw/zinc/35/54/82/603355482.db2.gz PAWBDNBQKXRCJC-GXSJLCMTSA-N -1 0 373.435 -0.489 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)cn1C ZINC000740220210 603355029 /nfs/dbraw/zinc/35/50/29/603355029.db2.gz PAWBDNBQKXRCJC-KOLCDFICSA-N -1 0 373.435 -0.489 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cn1C ZINC000740220212 603355054 /nfs/dbraw/zinc/35/50/54/603355054.db2.gz PAWBDNBQKXRCJC-MWLCHTKSSA-N -1 0 373.435 -0.489 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cn1C ZINC000740220213 603355013 /nfs/dbraw/zinc/35/50/13/603355013.db2.gz PAWBDNBQKXRCJC-ONGXEEELSA-N -1 0 373.435 -0.489 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCN2C(=O)[O-])cn1C ZINC000740220257 602581789 /nfs/dbraw/zinc/58/17/89/602581789.db2.gz PHSONRUJSXRZRT-JTQLQIEISA-N -1 0 359.408 -0.735 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NC[C@H]2CCCN2C(=O)[O-])cn1C ZINC000740220259 602582415 /nfs/dbraw/zinc/58/24/15/602582415.db2.gz PHSONRUJSXRZRT-SNVBAGLBSA-N -1 0 359.408 -0.735 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC[C@@H](N(C)C(=O)[O-])C2)cn1C ZINC000740220549 602037028 /nfs/dbraw/zinc/03/70/28/602037028.db2.gz QCLVEAWRHWYROC-LLVKDONJSA-N -1 0 373.435 -0.392 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC[C@H](N(C)C(=O)[O-])C2)cn1C ZINC000740220551 602036868 /nfs/dbraw/zinc/03/68/68/602036868.db2.gz QCLVEAWRHWYROC-NSHDSACASA-N -1 0 373.435 -0.392 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NC(C)(C)CNC(=O)[O-])cn1C ZINC000740220603 602305970 /nfs/dbraw/zinc/30/59/70/602305970.db2.gz QYMOTMVITSCVDP-UHFFFAOYSA-N -1 0 361.424 -0.441 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[O-])C[C@H]2C)cn1C ZINC000740220618 605706632 /nfs/dbraw/zinc/70/66/32/605706632.db2.gz RIHQCGOZBLIKGS-SECBINFHSA-N -1 0 359.408 -0.782 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[O-])C[C@@H]2C)cn1C ZINC000740220621 605704656 /nfs/dbraw/zinc/70/46/56/605704656.db2.gz RIHQCGOZBLIKGS-VIFPVBQESA-N -1 0 359.408 -0.782 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)OC[C@@H]2CCCN2C(=O)[O-])cn1C ZINC000740220652 602928250 /nfs/dbraw/zinc/92/82/50/602928250.db2.gz RVZPNGIGLMZTQR-JTQLQIEISA-N -1 0 360.392 -0.308 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)OC[C@H]2CCCN2C(=O)[O-])cn1C ZINC000740220657 602928391 /nfs/dbraw/zinc/92/83/91/602928391.db2.gz RVZPNGIGLMZTQR-SNVBAGLBSA-N -1 0 360.392 -0.308 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N(C)[C@H](C)CNC(=O)[O-])cn1C ZINC000740220667 602526526 /nfs/dbraw/zinc/52/65/26/602526526.db2.gz SAHQWQKDHFEUDI-SECBINFHSA-N -1 0 361.424 -0.489 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N(C)[C@@H](C)CNC(=O)[O-])cn1C ZINC000740220669 602526311 /nfs/dbraw/zinc/52/63/11/602526311.db2.gz SAHQWQKDHFEUDI-VIFPVBQESA-N -1 0 361.424 -0.489 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)cn1C ZINC000740221084 602031934 /nfs/dbraw/zinc/03/19/34/602031934.db2.gz SZZKSOKRQRZYEK-LLVKDONJSA-N -1 0 373.435 -0.487 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)cn1C ZINC000740221085 602032060 /nfs/dbraw/zinc/03/20/60/602032060.db2.gz SZZKSOKRQRZYEK-NSHDSACASA-N -1 0 373.435 -0.487 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@@H](CNC(=O)[O-])C2)cn1C ZINC000740221099 602034698 /nfs/dbraw/zinc/03/46/98/602034698.db2.gz UJKAFMNAPMYIET-JTQLQIEISA-N -1 0 359.408 -0.877 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@H](CNC(=O)[O-])C2)cn1C ZINC000740221100 602034929 /nfs/dbraw/zinc/03/49/29/602034929.db2.gz UJKAFMNAPMYIET-SNVBAGLBSA-N -1 0 359.408 -0.877 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NC[C@H]2CCCN2C(=O)[O-])cn1C ZINC000740221124 602589717 /nfs/dbraw/zinc/58/97/17/602589717.db2.gz VCSGVAQHGYYOFX-LLVKDONJSA-N -1 0 373.435 -0.344 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NC[C@@H]2CCCN2C(=O)[O-])cn1C ZINC000740221125 602589695 /nfs/dbraw/zinc/58/96/95/602589695.db2.gz VCSGVAQHGYYOFX-NSHDSACASA-N -1 0 373.435 -0.344 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N[C@@](C)(CNC(=O)[O-])C2CC2)cn1C ZINC000740221128 602506134 /nfs/dbraw/zinc/50/61/34/602506134.db2.gz VEYRCIXTRGOBTP-AWEZNQCLSA-N -1 0 373.435 -0.441 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N[C@](C)(CNC(=O)[O-])C2CC2)cn1C ZINC000740221129 602506174 /nfs/dbraw/zinc/50/61/74/602506174.db2.gz VEYRCIXTRGOBTP-CQSZACIVSA-N -1 0 373.435 -0.441 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NC2CCC(NC(=O)[O-])CC2)cn1C ZINC000740221164 603071094 /nfs/dbraw/zinc/07/10/94/603071094.db2.gz WOOYRMIGWUNLKT-UHFFFAOYSA-N -1 0 373.435 -0.298 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])cn1C ZINC000740221227 602975135 /nfs/dbraw/zinc/97/51/35/602975135.db2.gz WWTUOJVOZYRYHS-GHMZBOCLSA-N -1 0 373.435 -0.441 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])cn1C ZINC000740221228 602975224 /nfs/dbraw/zinc/97/52/24/602975224.db2.gz WWTUOJVOZYRYHS-MNOVXSKESA-N -1 0 373.435 -0.441 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])cn1C ZINC000740221230 602975046 /nfs/dbraw/zinc/97/50/46/602975046.db2.gz WWTUOJVOZYRYHS-QWRGUYRKSA-N -1 0 373.435 -0.441 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])cn1C ZINC000740221232 602975022 /nfs/dbraw/zinc/97/50/22/602975022.db2.gz WWTUOJVOZYRYHS-WDEREUQCSA-N -1 0 373.435 -0.441 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NCC2CCN(C(=O)[O-])CC2)cn1C ZINC000740221423 602031869 /nfs/dbraw/zinc/03/18/69/602031869.db2.gz YIRSMBCFFOIDSL-UHFFFAOYSA-N -1 0 373.435 -0.487 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC[C@H](CNC(=O)[O-])C2)cn1C ZINC000740221452 602028126 /nfs/dbraw/zinc/02/81/26/602028126.db2.gz YYRVDRPEWGXSTM-LLVKDONJSA-N -1 0 373.435 -0.487 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)cn1C ZINC000740221455 602027844 /nfs/dbraw/zinc/02/78/44/602027844.db2.gz YYRVDRPEWGXSTM-NSHDSACASA-N -1 0 373.435 -0.487 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)cn1C ZINC000740221467 602930167 /nfs/dbraw/zinc/93/01/67/602930167.db2.gz ZMOXPJBGUGTIJY-JTQLQIEISA-N -1 0 373.435 -0.392 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)[O-])[C@H](C)C2)cn1C ZINC000740221468 602930236 /nfs/dbraw/zinc/93/02/36/602930236.db2.gz ZMOXPJBGUGTIJY-SNVBAGLBSA-N -1 0 373.435 -0.392 20 0 FBADRM Cc1nc(C[C@H]2CCCN(C(=O)CN3CCN(C(=O)[O-])CC3=O)C2)no1 ZINC000740221673 603001784 /nfs/dbraw/zinc/00/17/84/603001784.db2.gz IVICQEIKDXAAHC-GFCCVEGCSA-N -1 0 365.390 -0.019 20 0 FBADRM Cc1nc(C[C@@H]2CCCN(C(=O)CN3CCN(C(=O)[O-])CC3=O)C2)no1 ZINC000740221675 603001607 /nfs/dbraw/zinc/00/16/07/603001607.db2.gz IVICQEIKDXAAHC-LBPRGKRZSA-N -1 0 365.390 -0.019 20 0 FBADRM Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NC1CN(C(=O)[O-])C1 ZINC000740222885 604749506 /nfs/dbraw/zinc/74/95/06/604749506.db2.gz OLFNJSFYYBBEPQ-UHFFFAOYSA-N -1 0 365.390 -0.262 20 0 FBADRM Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCCN(C)C(=O)[O-] ZINC000740223981 602302404 /nfs/dbraw/zinc/30/24/04/602302404.db2.gz WWPIQIZFNYKAJR-UHFFFAOYSA-N -1 0 367.406 -0.014 20 0 FBADRM O=C([O-])c1cccc(CS(=O)(=O)NCCS(=O)(=O)NC2CC2)c1 ZINC000740224814 600223568 /nfs/dbraw/zinc/22/35/68/600223568.db2.gz BTVYAWYPNCELSQ-UHFFFAOYSA-N -1 0 362.429 -0.114 20 0 FBADRM O=C([O-])c1cccc(CS(=O)(=O)NCCCN2C(=O)CNC2=O)c1 ZINC000740225842 600233459 /nfs/dbraw/zinc/23/34/59/600233459.db2.gz PZKYZCLWMDYIIZ-UHFFFAOYSA-N -1 0 355.372 -0.254 20 0 FBADRM Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NC1CN(C(=O)[O-])C1 ZINC000740228172 604768880 /nfs/dbraw/zinc/76/88/80/604768880.db2.gz HGPSNXUEHFIVPB-UHFFFAOYSA-N -1 0 360.374 -0.144 20 0 FBADRM O=C([O-])c1cccc(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 ZINC000740229164 600156523 /nfs/dbraw/zinc/15/65/23/600156523.db2.gz ZIORDXIVWZLREA-UHFFFAOYSA-N -1 0 359.346 -0.252 20 0 FBADRM Cc1nc2n(n1)C[C@H](NC(=O)N(C)CCN1CCN(C(=O)[O-])CC1)CC2 ZINC000740230051 602630718 /nfs/dbraw/zinc/63/07/18/602630718.db2.gz BETMFTRLESZLPI-CYBMUJFWSA-N -1 0 365.438 -0.162 20 0 FBADRM Cc1nc2n(n1)C[C@@H](NC(=O)N(C)CCN1CCN(C(=O)[O-])CC1)CC2 ZINC000740230054 602630558 /nfs/dbraw/zinc/63/05/58/602630558.db2.gz BETMFTRLESZLPI-ZDUSSCGKSA-N -1 0 365.438 -0.162 20 0 FBADRM Cc1nc2n(n1)C[C@H](NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)CC2 ZINC000740230539 601972216 /nfs/dbraw/zinc/97/22/16/601972216.db2.gz DDNBMTGSSNDLCT-LLVKDONJSA-N -1 0 365.394 -0.977 20 0 FBADRM Cc1nc2n(n1)C[C@@H](NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)CC2 ZINC000740230541 601972134 /nfs/dbraw/zinc/97/21/34/601972134.db2.gz DDNBMTGSSNDLCT-NSHDSACASA-N -1 0 365.394 -0.977 20 0 FBADRM Cc1ncc(NC(=O)C(=O)NCCCN2CCN(C(=O)[O-])CC2)cn1 ZINC000740230987 602760492 /nfs/dbraw/zinc/76/04/92/602760492.db2.gz IJAHETUDVLJATO-UHFFFAOYSA-N -1 0 350.379 -0.475 20 0 FBADRM Cc1nc2n(n1)C[C@H](NC(=O)NCCN1CCN(C(=O)[O-])CC1)CC2 ZINC000740231319 601972060 /nfs/dbraw/zinc/97/20/60/601972060.db2.gz ISRUDMAILLEAGE-GFCCVEGCSA-N -1 0 351.411 -0.504 20 0 FBADRM Cc1nc2n(n1)C[C@@H](NC(=O)NCCN1CCN(C(=O)[O-])CC1)CC2 ZINC000740231322 601972152 /nfs/dbraw/zinc/97/21/52/601972152.db2.gz ISRUDMAILLEAGE-LBPRGKRZSA-N -1 0 351.411 -0.504 20 0 FBADRM Cc1nc2sccc2c(=O)n1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740232456 602987062 /nfs/dbraw/zinc/98/70/62/602987062.db2.gz GMCWTNNYLGAPOC-UHFFFAOYSA-N -1 0 365.371 -0.341 20 0 FBADRM Cc1nc2n(c1C)CCN(C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)C2 ZINC000740234501 602909207 /nfs/dbraw/zinc/90/92/07/602909207.db2.gz ZMLQNSGOSWDLRH-UHFFFAOYSA-N -1 0 364.406 -0.153 20 0 FBADRM Cc1nc2n(n1)C[C@H](NC(=O)NCCCN1CCN(C(=O)[O-])CC1)CC2 ZINC000740234521 601972165 /nfs/dbraw/zinc/97/21/65/601972165.db2.gz ZTWRILDQGGDDFD-CYBMUJFWSA-N -1 0 365.438 -0.114 20 0 FBADRM Cc1nc2n(n1)C[C@@H](NC(=O)NCCCN1CCN(C(=O)[O-])CC1)CC2 ZINC000740234523 601972163 /nfs/dbraw/zinc/97/21/63/601972163.db2.gz ZTWRILDQGGDDFD-ZDUSSCGKSA-N -1 0 365.438 -0.114 20 0 FBADRM Cc1nn(C)c(C)c1C(=O)C(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000740242013 602494722 /nfs/dbraw/zinc/49/47/22/602494722.db2.gz HZICITISHAZCHE-UHFFFAOYSA-N -1 0 351.407 -0.026 20 0 FBADRM Cc1nn(C)c(C)c1CN1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000740244159 602760174 /nfs/dbraw/zinc/76/01/74/602760174.db2.gz BJXDCNCDPSSXOJ-UHFFFAOYSA-N -1 0 353.423 -0.035 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCN(C)C(=O)[O-] ZINC000740245186 602883265 /nfs/dbraw/zinc/88/32/65/602883265.db2.gz GQMGBALAJFNSBE-SECBINFHSA-N -1 0 361.424 -0.570 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCN(C)C(=O)[O-] ZINC000740245202 602883276 /nfs/dbraw/zinc/88/32/76/602883276.db2.gz GQMGBALAJFNSBE-VIFPVBQESA-N -1 0 361.424 -0.570 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC1CN(C(=O)[O-])C1 ZINC000740245374 604763220 /nfs/dbraw/zinc/76/32/20/604763220.db2.gz HNLJTXIDYPFVIP-MRVPVSSYSA-N -1 0 359.408 -0.818 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC1CN(C(=O)[O-])C1 ZINC000740245381 604763299 /nfs/dbraw/zinc/76/32/99/604763299.db2.gz HNLJTXIDYPFVIP-QMMMGPOBSA-N -1 0 359.408 -0.818 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000740245783 602899900 /nfs/dbraw/zinc/89/99/00/602899900.db2.gz JETDFKAMNYLUSA-GXSJLCMTSA-N -1 0 373.435 -0.428 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000740245784 602899817 /nfs/dbraw/zinc/89/98/17/602899817.db2.gz JETDFKAMNYLUSA-KOLCDFICSA-N -1 0 373.435 -0.428 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000740245785 602899916 /nfs/dbraw/zinc/89/99/16/602899916.db2.gz JETDFKAMNYLUSA-MWLCHTKSSA-N -1 0 373.435 -0.428 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000740245788 602900579 /nfs/dbraw/zinc/90/05/79/602900579.db2.gz JETDFKAMNYLUSA-ONGXEEELSA-N -1 0 373.435 -0.428 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000740245886 604470249 /nfs/dbraw/zinc/47/02/49/604470249.db2.gz KNMWEBJCYSEWOQ-GXSJLCMTSA-N -1 0 373.435 -0.428 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000740245889 605128853 /nfs/dbraw/zinc/12/88/53/605128853.db2.gz KNMWEBJCYSEWOQ-KOLCDFICSA-N -1 0 373.435 -0.428 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000740245891 604470491 /nfs/dbraw/zinc/47/04/91/604470491.db2.gz KNMWEBJCYSEWOQ-MWLCHTKSSA-N -1 0 373.435 -0.428 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000740245893 605128719 /nfs/dbraw/zinc/12/87/19/605128719.db2.gz KNMWEBJCYSEWOQ-ONGXEEELSA-N -1 0 373.435 -0.428 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000740247723 602551400 /nfs/dbraw/zinc/55/14/00/602551400.db2.gz YGYYAMXTSAQLFY-UHFFFAOYSA-N -1 0 359.452 -0.047 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCCNC(=O)[O-] ZINC000740247834 602887143 /nfs/dbraw/zinc/88/71/43/602887143.db2.gz YXRVRPUAMUABBT-SECBINFHSA-N -1 0 361.424 -0.522 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCCNC(=O)[O-] ZINC000740247835 602887016 /nfs/dbraw/zinc/88/70/16/602887016.db2.gz YXRVRPUAMUABBT-VIFPVBQESA-N -1 0 361.424 -0.522 20 0 FBADRM Cc1nn(C)c(C)c1NC(=O)COC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740248004 603111263 /nfs/dbraw/zinc/11/12/63/603111263.db2.gz ZGCQRPXVZCGOEW-UHFFFAOYSA-N -1 0 367.362 -0.659 20 0 FBADRM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740248299 603434344 /nfs/dbraw/zinc/43/43/44/603434344.db2.gz GJIYBKDXGUBYOR-JTQLQIEISA-N -1 0 351.407 -0.094 20 0 FBADRM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740248300 603434311 /nfs/dbraw/zinc/43/43/11/603434311.db2.gz GJIYBKDXGUBYOR-SNVBAGLBSA-N -1 0 351.407 -0.094 20 0 FBADRM Cc1nn(C)cc1[C@H](C)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000740250810 602185908 /nfs/dbraw/zinc/18/59/08/602185908.db2.gz CQWBEVZURDSNIB-JTQLQIEISA-N -1 0 352.395 -0.089 20 0 FBADRM Cc1nn(C)cc1[C@@H](C)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000740250811 602185880 /nfs/dbraw/zinc/18/58/80/602185880.db2.gz CQWBEVZURDSNIB-SNVBAGLBSA-N -1 0 352.395 -0.089 20 0 FBADRM O=C([O-])c1cn(CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)nn1 ZINC000740255599 600428932 /nfs/dbraw/zinc/42/89/32/600428932.db2.gz ZZLBNJXGTLZDKF-UHFFFAOYSA-N -1 0 374.405 -0.617 20 0 FBADRM Cc1nnc(CN(C)CC(=O)NCCCN2CCN(C(=O)[O-])CC2)n1C ZINC000740256333 602974248 /nfs/dbraw/zinc/97/42/48/602974248.db2.gz DECGHPBGXLIMRM-UHFFFAOYSA-N -1 0 367.454 -0.643 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)[C@H]3CSCN3C(=O)[O-])CC2)n1C ZINC000740256642 603057226 /nfs/dbraw/zinc/05/72/26/603057226.db2.gz DGMRJFIJEFNEMP-LLVKDONJSA-N -1 0 354.436 -0.179 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)[C@@H]3CSCN3C(=O)[O-])CC2)n1C ZINC000740256645 603057179 /nfs/dbraw/zinc/05/71/79/603057179.db2.gz DGMRJFIJEFNEMP-NSHDSACASA-N -1 0 354.436 -0.179 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)N[C@H](CNC(=O)[O-])C3CC3)CC2)n1C ZINC000740258475 603134578 /nfs/dbraw/zinc/13/45/78/603134578.db2.gz OCWQECNQZLQQGJ-CYBMUJFWSA-N -1 0 365.438 -0.003 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)N[C@@H](CNC(=O)[O-])C3CC3)CC2)n1C ZINC000740258477 603134686 /nfs/dbraw/zinc/13/46/86/603134686.db2.gz OCWQECNQZLQQGJ-ZDUSSCGKSA-N -1 0 365.438 -0.003 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)NCCCN(C)C(=O)[O-])CC2)n1C ZINC000740259160 603145374 /nfs/dbraw/zinc/14/53/74/603145374.db2.gz PTTCGBGWNMMFER-UHFFFAOYSA-N -1 0 353.427 -0.049 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)N[C@@H]3CCN(C(=O)[O-])C3)CC2)n1C ZINC000740259182 603147728 /nfs/dbraw/zinc/14/77/28/603147728.db2.gz PWZARPPDIDLDEJ-GFCCVEGCSA-N -1 0 351.411 -0.297 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)N[C@H]3CCN(C(=O)[O-])C3)CC2)n1C ZINC000740259184 603147812 /nfs/dbraw/zinc/14/78/12/603147812.db2.gz PWZARPPDIDLDEJ-LBPRGKRZSA-N -1 0 351.411 -0.297 20 0 FBADRM Cc1nnc2n1CCN(C(=O)NCCCN1CCN(C(=O)[O-])CC1)C2 ZINC000740259320 602619224 /nfs/dbraw/zinc/61/92/24/602619224.db2.gz BBLIEPSJMDJAFT-UHFFFAOYSA-N -1 0 351.411 -0.203 20 0 FBADRM Cc1nnnn1-c1cc(NC(=O)C(=O)NCCCNC(=O)[O-])ccc1F ZINC000740260076 602426205 /nfs/dbraw/zinc/42/62/05/602426205.db2.gz FMXSZJAIPAEJBW-UHFFFAOYSA-N -1 0 365.325 -0.178 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)[C@H]3COCCN3C(=O)[O-])CC2)n1C ZINC000740260330 602916166 /nfs/dbraw/zinc/91/61/66/602916166.db2.gz WJTPAAHAXQIOBP-GFCCVEGCSA-N -1 0 352.395 -0.853 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)[C@@H]3COCCN3C(=O)[O-])CC2)n1C ZINC000740260333 602916240 /nfs/dbraw/zinc/91/62/40/602916240.db2.gz WJTPAAHAXQIOBP-LBPRGKRZSA-N -1 0 352.395 -0.853 20 0 FBADRM Cc1nnnn1-c1cc(NC(=O)C(=O)NCCNC(=O)[O-])ccc1F ZINC000740261036 602228335 /nfs/dbraw/zinc/22/83/35/602228335.db2.gz NYSXAVCMBZJZDT-UHFFFAOYSA-N -1 0 351.298 -0.568 20 0 FBADRM Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000740261370 604571776 /nfs/dbraw/zinc/57/17/76/604571776.db2.gz QOAVSLXZAJCCEJ-LLVKDONJSA-N -1 0 359.346 -0.222 20 0 FBADRM Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)c1 ZINC000740261372 605119061 /nfs/dbraw/zinc/11/90/61/605119061.db2.gz QOAVSLXZAJCCEJ-NSHDSACASA-N -1 0 359.346 -0.222 20 0 FBADRM Cc1nnc2n1CCN(CN1C(=O)NC3(CCN(C(=O)[O-])CC3)C1=O)C2 ZINC000740261476 603050415 /nfs/dbraw/zinc/05/04/15/603050415.db2.gz RMQBOECEXSREAP-UHFFFAOYSA-N -1 0 363.378 -0.576 20 0 FBADRM Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000740261523 602650266 /nfs/dbraw/zinc/65/02/66/602650266.db2.gz SFDWTOYPWINCCI-LLVKDONJSA-N -1 0 359.346 -0.222 20 0 FBADRM Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000740261524 602650186 /nfs/dbraw/zinc/65/01/86/602650186.db2.gz SFDWTOYPWINCCI-NSHDSACASA-N -1 0 359.346 -0.222 20 0 FBADRM Cc1noc([C@H](C)N2CCN(C(=O)[C@H]3COCCN3C(=O)[O-])CC2)n1 ZINC000740261802 602898604 /nfs/dbraw/zinc/89/86/04/602898604.db2.gz AOFOKPINTAPTCB-CMPLNLGQSA-N -1 0 353.379 -0.038 20 0 FBADRM Cc1noc([C@H](C)N2CCN(C(=O)[C@@H]3COCCN3C(=O)[O-])CC2)n1 ZINC000740261804 602898598 /nfs/dbraw/zinc/89/85/98/602898598.db2.gz AOFOKPINTAPTCB-JQWIXIFHSA-N -1 0 353.379 -0.038 20 0 FBADRM Cc1noc([C@@H](C)N2CCN(C(=O)[C@@H]3COCCN3C(=O)[O-])CC2)n1 ZINC000740261806 602898555 /nfs/dbraw/zinc/89/85/55/602898555.db2.gz AOFOKPINTAPTCB-PWSUYJOCSA-N -1 0 353.379 -0.038 20 0 FBADRM Cc1noc([C@@H](C)N2CCN(C(=O)[C@H]3COCCN3C(=O)[O-])CC2)n1 ZINC000740261808 602898273 /nfs/dbraw/zinc/89/82/73/602898273.db2.gz AOFOKPINTAPTCB-ZYHUDNBSSA-N -1 0 353.379 -0.038 20 0 FBADRM Cc1nnnn1-c1cccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000740261992 602991771 /nfs/dbraw/zinc/99/17/71/602991771.db2.gz YJYKNANMWCVACF-UHFFFAOYSA-N -1 0 359.346 -0.269 20 0 FBADRM Cc1nnnn1-c1cc(NC(=O)C(=O)NCCN(C)C(=O)[O-])ccc1F ZINC000740262099 602767561 /nfs/dbraw/zinc/76/75/61/602767561.db2.gz ZIOHXWRPXASJQR-UHFFFAOYSA-N -1 0 365.325 -0.226 20 0 FBADRM Cc1noc(CNC(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)n1 ZINC000740262523 601974293 /nfs/dbraw/zinc/97/42/93/601974293.db2.gz BCDNJJNKGYAXQG-JTQLQIEISA-N -1 0 354.367 -0.317 20 0 FBADRM Cc1noc(CNC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)n1 ZINC000740262525 601974282 /nfs/dbraw/zinc/97/42/82/601974282.db2.gz BCDNJJNKGYAXQG-SNVBAGLBSA-N -1 0 354.367 -0.317 20 0 FBADRM Cc1noc(C)c1CCNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000740262687 602544059 /nfs/dbraw/zinc/54/40/59/602544059.db2.gz GLCAHXJIDZHXIZ-UHFFFAOYSA-N -1 0 353.379 -0.045 20 0 FBADRM Cc1noc(C)c1NC(=O)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000740262848 602762823 /nfs/dbraw/zinc/76/28/23/602762823.db2.gz AYJUMBBYHUKQDC-UHFFFAOYSA-N -1 0 353.335 -0.832 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000740263950 602161700 /nfs/dbraw/zinc/16/17/00/602161700.db2.gz JDZWYQOBPCSJFI-UHFFFAOYSA-N -1 0 360.392 -0.266 20 0 FBADRM Cc1noc([C@@H]2CCCN(C(=O)CN3CCN(C(=O)[O-])CC3=O)C2)n1 ZINC000740264362 602995307 /nfs/dbraw/zinc/99/53/07/602995307.db2.gz KMNDHRSPIRDMBV-LLVKDONJSA-N -1 0 351.363 -0.094 20 0 FBADRM Cc1noc([C@H]2CCCN(C(=O)CN3CCN(C(=O)[O-])CC3=O)C2)n1 ZINC000740264364 602995168 /nfs/dbraw/zinc/99/51/68/602995168.db2.gz KMNDHRSPIRDMBV-NSHDSACASA-N -1 0 351.363 -0.094 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(C)CC(=O)[O-])CC1 ZINC000740264407 596906835 /nfs/dbraw/zinc/90/68/35/596906835.db2.gz LDZNUECTRXNQJN-UHFFFAOYSA-N -1 0 374.419 -0.859 20 0 FBADRM Cc1noc(C2CCN(C(=O)CN3CCN(C(=O)[O-])CC3=O)CC2)n1 ZINC000740265299 602995065 /nfs/dbraw/zinc/99/50/65/602995065.db2.gz FDZHWESTTXFBTL-UHFFFAOYSA-N -1 0 351.363 -0.094 20 0 FBADRM Cc1noc(CCNC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)n1 ZINC000740266673 602185926 /nfs/dbraw/zinc/18/59/26/602185926.db2.gz NZSBHVDDXIAUEH-LLVKDONJSA-N -1 0 368.394 -0.274 20 0 FBADRM Cc1noc(CCNC(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)n1 ZINC000740266674 602186252 /nfs/dbraw/zinc/18/62/52/602186252.db2.gz NZSBHVDDXIAUEH-NSHDSACASA-N -1 0 368.394 -0.274 20 0 FBADRM O=C([O-])c1coc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000740266938 599847498 /nfs/dbraw/zinc/84/74/98/599847498.db2.gz CXBBQAFBTXTPNV-UHFFFAOYSA-N -1 0 359.404 -0.328 20 0 FBADRM Cc1noc(CCCNC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)n1 ZINC000740267140 602060195 /nfs/dbraw/zinc/06/01/95/602060195.db2.gz SZAMRFOFIVVIME-UHFFFAOYSA-N -1 0 354.367 -0.568 20 0 FBADRM O=C([O-])c1coc(CN2C(=O)N[C@H](CC(=O)N3CCOCC3)C2=O)c1 ZINC000740268549 599805036 /nfs/dbraw/zinc/80/50/36/599805036.db2.gz GNTIFIDXGDRCIW-LLVKDONJSA-N -1 0 351.315 -0.353 20 0 FBADRM O=C([O-])c1coc(CN2C(=O)N[C@@H](CC(=O)N3CCOCC3)C2=O)c1 ZINC000740268550 599804924 /nfs/dbraw/zinc/80/49/24/599804924.db2.gz GNTIFIDXGDRCIW-NSHDSACASA-N -1 0 351.315 -0.353 20 0 FBADRM O=C([O-])c1coc(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 ZINC000740269380 599846119 /nfs/dbraw/zinc/84/61/19/599846119.db2.gz PQGVPTAKTXAOBR-UHFFFAOYSA-N -1 0 351.359 -0.519 20 0 FBADRM O=C([O-])c1csc(S(=O)(=O)N2CCN(CCOCCO)CC2)c1 ZINC000740270767 600563740 /nfs/dbraw/zinc/56/37/40/600563740.db2.gz CMZOLYSEOVBYEN-UHFFFAOYSA-N -1 0 364.445 -0.239 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@@H]3CCN(C(=O)[O-])C3)cnc21 ZINC000740274821 602568034 /nfs/dbraw/zinc/56/80/34/602568034.db2.gz CHLQQVONPZVSKZ-SSDOTTSWSA-N -1 0 369.359 -0.935 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@H]3CCN(C(=O)[O-])C3)cnc21 ZINC000740274822 602568050 /nfs/dbraw/zinc/56/80/50/602568050.db2.gz CHLQQVONPZVSKZ-ZETCQYMHSA-N -1 0 369.359 -0.935 20 0 FBADRM Cn1c2ncn(CC(=O)O[C@@H]3CCCN(C(=O)[O-])C3)c2c(=O)n(C)c1=O ZINC000740274836 602232471 /nfs/dbraw/zinc/23/24/71/602232471.db2.gz CSQDNKPFSXTTML-SECBINFHSA-N -1 0 365.346 -0.881 20 0 FBADRM Cn1c2ncn(CC(=O)O[C@H]3CCCN(C(=O)[O-])C3)c2c(=O)n(C)c1=O ZINC000740274837 605956979 /nfs/dbraw/zinc/95/69/79/605956979.db2.gz CSQDNKPFSXTTML-VIFPVBQESA-N -1 0 365.346 -0.881 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NCCN(C(=O)[O-])C3CC3)nc2n(C)c1=O ZINC000740274845 601985075 /nfs/dbraw/zinc/98/50/75/601985075.db2.gz DIFWRJATUSNGAZ-UHFFFAOYSA-N -1 0 361.358 -0.496 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)O[C@@H]3CCCN(C(=O)[O-])C3)nc2n(C)c1=O ZINC000740274848 602235806 /nfs/dbraw/zinc/23/58/06/602235806.db2.gz DJSFJBZALRLFFR-SECBINFHSA-N -1 0 362.342 -0.069 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)O[C@H]3CCCN(C(=O)[O-])C3)nc2n(C)c1=O ZINC000740274849 605957123 /nfs/dbraw/zinc/95/71/23/605957123.db2.gz DJSFJBZALRLFFR-VIFPVBQESA-N -1 0 362.342 -0.069 20 0 FBADRM Cn1c2ncn(CCC(=O)O[C@@H]3CCN(C(=O)[O-])C3)c2c(=O)n(C)c1=O ZINC000740274957 602683953 /nfs/dbraw/zinc/68/39/53/602683953.db2.gz DNTJAKBWIFSMMM-SECBINFHSA-N -1 0 365.346 -0.881 20 0 FBADRM Cn1c2ncn(CCC(=O)O[C@H]3CCN(C(=O)[O-])C3)c2c(=O)n(C)c1=O ZINC000740274958 603326771 /nfs/dbraw/zinc/32/67/71/603326771.db2.gz DNTJAKBWIFSMMM-VIFPVBQESA-N -1 0 365.346 -0.881 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NC[C@H]3CCCN3C(=O)[O-])nc2n(C)c1=O ZINC000740274960 602579244 /nfs/dbraw/zinc/57/92/44/602579244.db2.gz DPDIKLVEARZJEP-SECBINFHSA-N -1 0 361.358 -0.496 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NC[C@@H]3CCCN3C(=O)[O-])nc2n(C)c1=O ZINC000740274961 602579143 /nfs/dbraw/zinc/57/91/43/602579143.db2.gz DPDIKLVEARZJEP-VIFPVBQESA-N -1 0 361.358 -0.496 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)NCCCNC(=O)[O-])cnc2n(C)c1=O ZINC000740274974 602410481 /nfs/dbraw/zinc/41/04/81/602410481.db2.gz FIDBQFDBPQHBTH-UHFFFAOYSA-N -1 0 350.335 -0.589 20 0 FBADRM Cn1c2ccc(NC(=O)C(=O)N3CC[C@H](NC(=O)[O-])C3)cc2n(C)c1=O ZINC000740274978 605119408 /nfs/dbraw/zinc/11/94/08/605119408.db2.gz FNPZTRCKNURVGT-JTQLQIEISA-N -1 0 361.358 -0.316 20 0 FBADRM Cn1c2ccc(NC(=O)C(=O)N3CC[C@@H](NC(=O)[O-])C3)cc2n(C)c1=O ZINC000740274979 604573940 /nfs/dbraw/zinc/57/39/40/604573940.db2.gz FNPZTRCKNURVGT-SNVBAGLBSA-N -1 0 361.358 -0.316 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC(C)(C)CNC(=O)[O-])cnc21 ZINC000740274997 602317451 /nfs/dbraw/zinc/31/74/51/602317451.db2.gz GIJNQIXSDGEDJG-UHFFFAOYSA-N -1 0 371.375 -0.641 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)N3CC[C@@H](NC(=O)[O-])C3)cnc2n(C)c1=O ZINC000740275029 604532457 /nfs/dbraw/zinc/53/24/57/604532457.db2.gz HNZQKQGDMRUVRH-MRVPVSSYSA-N -1 0 362.346 -0.494 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)N3CC[C@H](NC(=O)[O-])C3)cnc2n(C)c1=O ZINC000740275030 605084119 /nfs/dbraw/zinc/08/41/19/605084119.db2.gz HNZQKQGDMRUVRH-QMMMGPOBSA-N -1 0 362.346 -0.494 20 0 FBADRM Cn1c2ncn(CC(=O)OC[C@H]3CCCN3C(=O)[O-])c2c(=O)n(C)c1=O ZINC000740275151 602912687 /nfs/dbraw/zinc/91/26/87/602912687.db2.gz INMBVFAGRSEFPQ-SECBINFHSA-N -1 0 365.346 -0.881 20 0 FBADRM Cn1c2ncn(CC(=O)OC[C@@H]3CCCN3C(=O)[O-])c2c(=O)n(C)c1=O ZINC000740275152 602912345 /nfs/dbraw/zinc/91/23/45/602912345.db2.gz INMBVFAGRSEFPQ-VIFPVBQESA-N -1 0 365.346 -0.881 20 0 FBADRM Cn1c(=O)c2cc(C(=O)O[C@H]3CCCN(C(=O)[O-])C3)cnc2n(C)c1=O ZINC000740275160 605956896 /nfs/dbraw/zinc/95/68/96/605956896.db2.gz IPTDAVFTLVFMDG-JTQLQIEISA-N -1 0 362.342 -0.069 20 0 FBADRM Cn1c(=O)c2cc(C(=O)O[C@@H]3CCCN(C(=O)[O-])C3)cnc2n(C)c1=O ZINC000740275161 602236984 /nfs/dbraw/zinc/23/69/84/602236984.db2.gz IPTDAVFTLVFMDG-SNVBAGLBSA-N -1 0 362.342 -0.069 20 0 FBADRM Cn1c2ncn(CC(=O)Nc3ccc(NC(=O)[O-])nc3)c2c(=O)n(C)c1=O ZINC000740275189 601996419 /nfs/dbraw/zinc/99/64/19/601996419.db2.gz JSBLLSJDTQPRRG-UHFFFAOYSA-N -1 0 373.329 -0.443 20 0 FBADRM Cn1c(C(=O)NC[C@H]2CCCN2C(=O)[O-])cc2c1n(C)c(=O)n(C)c2=O ZINC000740275207 602576133 /nfs/dbraw/zinc/57/61/33/602576133.db2.gz KHPLNCJBDPRNRT-SECBINFHSA-N -1 0 363.374 -0.552 20 0 FBADRM Cn1c(C(=O)NC[C@@H]2CCCN2C(=O)[O-])cc2c1n(C)c(=O)n(C)c2=O ZINC000740275208 602576161 /nfs/dbraw/zinc/57/61/61/602576161.db2.gz KHPLNCJBDPRNRT-VIFPVBQESA-N -1 0 363.374 -0.552 20 0 FBADRM Cn1c(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000740275209 603034751 /nfs/dbraw/zinc/03/47/51/603034751.db2.gz KIWDYXYHVYDITC-JTQLQIEISA-N -1 0 363.374 -0.648 20 0 FBADRM Cn1c(C(=O)N[C@H](CNC(=O)[O-])C2CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000740275210 603034759 /nfs/dbraw/zinc/03/47/59/603034759.db2.gz KIWDYXYHVYDITC-SNVBAGLBSA-N -1 0 363.374 -0.648 20 0 FBADRM Cn1c(=O)ccn(CC(=O)Nc2cccc(OCCNC(=O)[O-])c2)c1=O ZINC000740275223 602275676 /nfs/dbraw/zinc/27/56/76/602275676.db2.gz LCPLYFGPMIEYOM-UHFFFAOYSA-N -1 0 362.342 -0.168 20 0 FBADRM Cn1c(=O)c2cc(C(=O)NC[C@@H]3CCCN3C(=O)[O-])cnc2n(C)c1=O ZINC000740275247 602580995 /nfs/dbraw/zinc/58/09/95/602580995.db2.gz LSEUVVUNLZSBCN-JTQLQIEISA-N -1 0 361.358 -0.496 20 0 FBADRM Cn1c(=O)c2cc(C(=O)NC[C@H]3CCCN3C(=O)[O-])cnc2n(C)c1=O ZINC000740275248 602580962 /nfs/dbraw/zinc/58/09/62/602580962.db2.gz LSEUVVUNLZSBCN-SNVBAGLBSA-N -1 0 361.358 -0.496 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N3CC[C@H](CNC(=O)[O-])C3)nc2n(C)c1=O ZINC000740275258 601879210 /nfs/dbraw/zinc/87/92/10/601879210.db2.gz MCXCVIKPIXXSIE-SECBINFHSA-N -1 0 361.358 -0.638 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N3CC[C@@H](CNC(=O)[O-])C3)nc2n(C)c1=O ZINC000740275259 601879265 /nfs/dbraw/zinc/87/92/65/601879265.db2.gz MCXCVIKPIXXSIE-VIFPVBQESA-N -1 0 361.358 -0.638 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N[C@H](CNC(=O)[O-])C3CC3)nc2n(C)c1=O ZINC000740275319 603050424 /nfs/dbraw/zinc/05/04/24/603050424.db2.gz OXUFJAYAUUKTPJ-LLVKDONJSA-N -1 0 361.358 -0.592 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N[C@@H](CNC(=O)[O-])C3CC3)nc2n(C)c1=O ZINC000740275320 603050515 /nfs/dbraw/zinc/05/05/15/603050515.db2.gz OXUFJAYAUUKTPJ-NSHDSACASA-N -1 0 361.358 -0.592 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)OC[C@H]3CCCN3C(=O)[O-])nc2n(C)c1=O ZINC000740275356 602919670 /nfs/dbraw/zinc/91/96/70/602919670.db2.gz PKRJGTPQMYPZKZ-SECBINFHSA-N -1 0 362.342 -0.069 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)OC[C@@H]3CCCN3C(=O)[O-])nc2n(C)c1=O ZINC000740275357 602920484 /nfs/dbraw/zinc/92/04/84/602920484.db2.gz PKRJGTPQMYPZKZ-VIFPVBQESA-N -1 0 362.342 -0.069 20 0 FBADRM Cn1c2[nH]c(CCC(=O)NC(C)(C)CNC(=O)[O-])nc2c(=O)[nH]c1=O ZINC000740275385 602304289 /nfs/dbraw/zinc/30/42/89/602304289.db2.gz BKTZAIQFGMDYJA-UHFFFAOYSA-N -1 0 352.351 -0.543 20 0 FBADRM Cn1c(=O)c2cc(C(=O)OC[C@@H]3CCN(C(=O)[O-])C3)cnc2n(C)c1=O ZINC000740275552 603168499 /nfs/dbraw/zinc/16/84/99/603168499.db2.gz QHIMUKRNHDMLMK-SECBINFHSA-N -1 0 362.342 -0.211 20 0 FBADRM Cn1c(=O)c2cc(C(=O)OC[C@H]3CCN(C(=O)[O-])C3)cnc2n(C)c1=O ZINC000740275553 603168462 /nfs/dbraw/zinc/16/84/62/603168462.db2.gz QHIMUKRNHDMLMK-VIFPVBQESA-N -1 0 362.342 -0.211 20 0 FBADRM Cn1c(C(=O)NC(C)(C)CNC(=O)[O-])cc2c1n(C)c(=O)n(C)c2=O ZINC000740275557 602304014 /nfs/dbraw/zinc/30/40/14/602304014.db2.gz QKUVNBQAAWNEHG-UHFFFAOYSA-N -1 0 351.363 -0.648 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)OC[C@@H]3CCN(C(=O)[O-])C3)nc2n(C)c1=O ZINC000740275570 603172094 /nfs/dbraw/zinc/17/20/94/603172094.db2.gz RAPIHVUPLRYMBA-SECBINFHSA-N -1 0 362.342 -0.211 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)OC[C@H]3CCN(C(=O)[O-])C3)nc2n(C)c1=O ZINC000740275571 603172327 /nfs/dbraw/zinc/17/23/27/603172327.db2.gz RAPIHVUPLRYMBA-VIFPVBQESA-N -1 0 362.342 -0.211 20 0 FBADRM Cn1c(C(=O)OC[C@H]2CCCN2C(=O)[O-])cc2c1n(C)c(=O)n(C)c2=O ZINC000740275589 602924835 /nfs/dbraw/zinc/92/48/35/602924835.db2.gz RPKDSXNSBZIDKU-SECBINFHSA-N -1 0 364.358 -0.125 20 0 FBADRM Cn1c(C(=O)OC[C@@H]2CCCN2C(=O)[O-])cc2c1n(C)c(=O)n(C)c2=O ZINC000740275590 602924978 /nfs/dbraw/zinc/92/49/78/602924978.db2.gz RPKDSXNSBZIDKU-VIFPVBQESA-N -1 0 364.358 -0.125 20 0 FBADRM Cn1c(=O)c2cc(C(=O)N3CC[C@H](CNC(=O)[O-])C3)cnc2n(C)c1=O ZINC000740275627 601880159 /nfs/dbraw/zinc/88/01/59/601880159.db2.gz TUPQULDPZUKLCQ-SECBINFHSA-N -1 0 361.358 -0.638 20 0 FBADRM Cn1c(=O)c2cc(C(=O)N3CC[C@@H](CNC(=O)[O-])C3)cnc2n(C)c1=O ZINC000740275628 601880155 /nfs/dbraw/zinc/88/01/55/601880155.db2.gz TUPQULDPZUKLCQ-VIFPVBQESA-N -1 0 361.358 -0.638 20 0 FBADRM Cn1c(=O)ccn(CC(=O)N[C@H](CNC(=O)[O-])C2CCCCC2)c1=O ZINC000740275634 602483156 /nfs/dbraw/zinc/48/31/56/602483156.db2.gz TYLLHNDCHODWNS-GFCCVEGCSA-N -1 0 352.391 -0.120 20 0 FBADRM Cn1c(=O)ccn(CC(=O)N[C@@H](CNC(=O)[O-])C2CCCCC2)c1=O ZINC000740275635 602483252 /nfs/dbraw/zinc/48/32/52/602483252.db2.gz TYLLHNDCHODWNS-LBPRGKRZSA-N -1 0 352.391 -0.120 20 0 FBADRM Cn1c(C(=O)N2CC[C@H](CNC(=O)[O-])C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000740275636 601874761 /nfs/dbraw/zinc/87/47/61/601874761.db2.gz TZXLOJRIXWCWSZ-SECBINFHSA-N -1 0 363.374 -0.695 20 0 FBADRM Cn1c(C(=O)N2CC[C@@H](CNC(=O)[O-])C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000740275637 601874741 /nfs/dbraw/zinc/87/47/41/601874741.db2.gz TZXLOJRIXWCWSZ-VIFPVBQESA-N -1 0 363.374 -0.695 20 0 FBADRM Cn1c2[nH]c(CCC(=O)N[C@@H]3CCN(C(=O)[O-])C3)nc2c(=O)[nH]c1=O ZINC000740275657 602536574 /nfs/dbraw/zinc/53/65/74/602536574.db2.gz FLJDRJAYJDUSJS-SSDOTTSWSA-N -1 0 350.335 -0.837 20 0 FBADRM Cn1c2[nH]c(CCC(=O)N[C@H]3CCN(C(=O)[O-])C3)nc2c(=O)[nH]c1=O ZINC000740275658 602536382 /nfs/dbraw/zinc/53/63/82/602536382.db2.gz FLJDRJAYJDUSJS-ZETCQYMHSA-N -1 0 350.335 -0.837 20 0 FBADRM Cn1c2[nH]c(CCC(=O)N[C@H](CNC(=O)[O-])C3CC3)nc2c(=O)[nH]c1=O ZINC000740275660 603038416 /nfs/dbraw/zinc/03/84/16/603038416.db2.gz FLPNLTVJYHDQBN-MRVPVSSYSA-N -1 0 364.362 -0.543 20 0 FBADRM Cn1c2[nH]c(CCC(=O)N[C@@H](CNC(=O)[O-])C3CC3)nc2c(=O)[nH]c1=O ZINC000740275661 603038399 /nfs/dbraw/zinc/03/83/99/603038399.db2.gz FLPNLTVJYHDQBN-QMMMGPOBSA-N -1 0 364.362 -0.543 20 0 FBADRM Cn1c2ncn(CCOC(=O)CC(C)(C)NC(=O)[O-])c2c(=O)n(C)c1=O ZINC000740275829 603136047 /nfs/dbraw/zinc/13/60/47/603136047.db2.gz UKIKSTKBADDZFB-UHFFFAOYSA-N -1 0 367.362 -0.587 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)[C@H]3CSCN3C(=O)[O-])cnc2n(C)c1=O ZINC000740275847 602361201 /nfs/dbraw/zinc/36/12/01/602361201.db2.gz VCMLLJZDCQSRHF-SECBINFHSA-N -1 0 365.371 -0.376 20 0 FBADRM Cn1c(C(=O)NCCN(C(=O)[O-])C2CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000740275905 602028174 /nfs/dbraw/zinc/02/81/74/602028174.db2.gz XDIRBEUVUVHKOE-UHFFFAOYSA-N -1 0 363.374 -0.552 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@@H](NC(=O)[O-])C3)cnc21 ZINC000740275913 604335908 /nfs/dbraw/zinc/33/59/08/604335908.db2.gz XOKYCCQRDFRONE-SSDOTTSWSA-N -1 0 369.359 -0.935 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@H](NC(=O)[O-])C3)cnc21 ZINC000740275914 605945501 /nfs/dbraw/zinc/94/55/01/605945501.db2.gz XOKYCCQRDFRONE-ZETCQYMHSA-N -1 0 369.359 -0.935 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)N[C@@H]3CCN(C(=O)[O-])C3)cnc2n(C)c1=O ZINC000740275935 602600343 /nfs/dbraw/zinc/60/03/43/602600343.db2.gz YKLGEPIRNAHVIO-MRVPVSSYSA-N -1 0 362.346 -0.494 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)N[C@H]3CCN(C(=O)[O-])C3)cnc2n(C)c1=O ZINC000740275936 602600210 /nfs/dbraw/zinc/60/02/10/602600210.db2.gz YKLGEPIRNAHVIO-QMMMGPOBSA-N -1 0 362.346 -0.494 20 0 FBADRM Cn1c2[nH]c(CCC(=O)OC[C@H]3CCCN3C(=O)[O-])nc2c(=O)[nH]c1=O ZINC000740276006 602928408 /nfs/dbraw/zinc/92/84/08/602928408.db2.gz KXKIIYGSEWXSOT-MRVPVSSYSA-N -1 0 365.346 -0.020 20 0 FBADRM Cn1c2[nH]c(CCC(=O)OC[C@@H]3CCCN3C(=O)[O-])nc2c(=O)[nH]c1=O ZINC000740276007 602928125 /nfs/dbraw/zinc/92/81/25/602928125.db2.gz KXKIIYGSEWXSOT-QMMMGPOBSA-N -1 0 365.346 -0.020 20 0 FBADRM Cn1c2[nH]c(CCC(=O)NC[C@H]3CCCN3C(=O)[O-])nc2c(=O)[nH]c1=O ZINC000740276012 602584738 /nfs/dbraw/zinc/58/47/38/602584738.db2.gz LJANMEKZSQEUAC-MRVPVSSYSA-N -1 0 364.362 -0.447 20 0 FBADRM Cn1c2[nH]c(CCC(=O)NC[C@@H]3CCCN3C(=O)[O-])nc2c(=O)[nH]c1=O ZINC000740276013 602584857 /nfs/dbraw/zinc/58/48/57/602584857.db2.gz LJANMEKZSQEUAC-QMMMGPOBSA-N -1 0 364.362 -0.447 20 0 FBADRM Cn1c2[nH]c(CCC(=O)N3CC[C@@H](NC(=O)[O-])C3)nc2c(=O)[nH]c1=O ZINC000740276016 604468466 /nfs/dbraw/zinc/46/84/66/604468466.db2.gz LLRNHSDPXODYQP-SSDOTTSWSA-N -1 0 350.335 -0.837 20 0 FBADRM Cn1c2[nH]c(CCC(=O)N3CC[C@H](NC(=O)[O-])C3)nc2c(=O)[nH]c1=O ZINC000740276017 605129998 /nfs/dbraw/zinc/12/99/98/605129998.db2.gz LLRNHSDPXODYQP-ZETCQYMHSA-N -1 0 350.335 -0.837 20 0 FBADRM Cn1c2ncn(CCC(=O)OCCCNC(=O)[O-])c2c(=O)n(C)c1=O ZINC000740276054 602227099 /nfs/dbraw/zinc/22/70/99/602227099.db2.gz ZEJSQZCLWAZWLI-UHFFFAOYSA-N -1 0 353.335 -0.975 20 0 FBADRM Cn1c(=O)c2cc(C(=O)N[C@H](CNC(=O)[O-])C3CC3)cnc2n(C)c1=O ZINC000740276059 603054147 /nfs/dbraw/zinc/05/41/47/603054147.db2.gz ZHLUUVMIGNQBER-LLVKDONJSA-N -1 0 361.358 -0.592 20 0 FBADRM Cn1c(=O)c2cc(C(=O)N[C@@H](CNC(=O)[O-])C3CC3)cnc2n(C)c1=O ZINC000740276060 603054008 /nfs/dbraw/zinc/05/40/08/603054008.db2.gz ZHLUUVMIGNQBER-NSHDSACASA-N -1 0 361.358 -0.592 20 0 FBADRM Cn1c2[nH]c(CCC(=O)O[C@H]3CCN(C(=O)[O-])C3)nc2c(=O)[nH]c1=O ZINC000740276571 604187400 /nfs/dbraw/zinc/18/74/00/604187400.db2.gz SZSZOKCSSKLKCS-ZETCQYMHSA-N -1 0 351.319 -0.410 20 0 FBADRM Cn1c2[nH]c(CCC(=O)NCCN(C(=O)[O-])C3CC3)nc2c(=O)[nH]c1=O ZINC000740277112 602028007 /nfs/dbraw/zinc/02/80/07/602028007.db2.gz ZEGFTNNXAPRRGP-UHFFFAOYSA-N -1 0 364.362 -0.447 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N[C@@H]3CCN(C(=O)[O-])C3)cc2n(C)c1=O ZINC000740277837 602568458 /nfs/dbraw/zinc/56/84/58/602568458.db2.gz FHRMTRYIBRRDME-SECBINFHSA-N -1 0 354.388 -0.092 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N[C@H]3CCN(C(=O)[O-])C3)cc2n(C)c1=O ZINC000740277839 602568422 /nfs/dbraw/zinc/56/84/22/602568422.db2.gz FHRMTRYIBRRDME-VIFPVBQESA-N -1 0 354.388 -0.092 20 0 FBADRM Cn1c2ccc(NC(=O)CN3CCN(C(=O)[O-])CC3=O)cc2n(C)c1=O ZINC000740278306 602998388 /nfs/dbraw/zinc/99/83/88/602998388.db2.gz LIVHDXUPQYQHMR-UHFFFAOYSA-N -1 0 361.358 -0.362 20 0 FBADRM Cn1c2ccc(NC(=O)C(=O)N[C@H]3CCN(C(=O)[O-])C3)cc2n(C)c1=O ZINC000740278779 602650248 /nfs/dbraw/zinc/65/02/48/602650248.db2.gz NJSNWFUYRHDGDB-JTQLQIEISA-N -1 0 361.358 -0.316 20 0 FBADRM Cn1c2ccc(NC(=O)C(=O)N[C@@H]3CCN(C(=O)[O-])C3)cc2n(C)c1=O ZINC000740278780 602650173 /nfs/dbraw/zinc/65/01/73/602650173.db2.gz NJSNWFUYRHDGDB-SNVBAGLBSA-N -1 0 361.358 -0.316 20 0 FBADRM Cc1sc(=O)n(CCC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c1C ZINC000740279285 603383644 /nfs/dbraw/zinc/38/36/44/603383644.db2.gz DOJBRCGRRFHJKN-UHFFFAOYSA-N -1 0 370.431 -0.145 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N3CC[C@@H](NC(=O)[O-])C3)cc2n(C)c1=O ZINC000740280561 604335961 /nfs/dbraw/zinc/33/59/61/604335961.db2.gz WOHZELGDGRUHTE-SECBINFHSA-N -1 0 354.388 -0.092 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N3CC[C@H](NC(=O)[O-])C3)cc2n(C)c1=O ZINC000740280566 605943212 /nfs/dbraw/zinc/94/32/12/605943212.db2.gz WOHZELGDGRUHTE-VIFPVBQESA-N -1 0 354.388 -0.092 20 0 FBADRM Cn1c(NCCCN2CCN(C(=O)[O-])CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000740281248 602670841 /nfs/dbraw/zinc/67/08/41/602670841.db2.gz DUSQXDMYTFLEBF-UHFFFAOYSA-N -1 0 365.394 -0.530 20 0 FBADRM Cn1c(N)c(C(=O)COC(=O)CCC(C)(C)NC(=O)[O-])c(=O)n(C)c1=O ZINC000740281395 602896412 /nfs/dbraw/zinc/89/64/12/602896412.db2.gz HJEWIISNYRCEGX-UHFFFAOYSA-N -1 0 370.362 -0.782 20 0 FBADRM Cn1cc(C(=O)N(C2CC2)C2CCN(C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000740281809 602952267 /nfs/dbraw/zinc/95/22/67/602952267.db2.gz VATQNXRDTJBCMI-UHFFFAOYSA-N -1 0 350.375 -0.169 20 0 FBADRM CN1C(=S)N=NC1CNC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000740283692 602681355 /nfs/dbraw/zinc/68/13/55/602681355.db2.gz NJNDOWCALYXLOE-UHFFFAOYSA-N -1 0 366.407 -0.060 20 0 FBADRM Cn1c(=O)cc(COC(=O)c2csc(CNC(=O)[O-])n2)n(C)c1=O ZINC000740283953 602723050 /nfs/dbraw/zinc/72/30/50/602723050.db2.gz XDMQUTXATFATEN-UHFFFAOYSA-N -1 0 354.344 -0.335 20 0 FBADRM Cn1c(=O)cc(COC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)n(C)c1=O ZINC000740283992 603278096 /nfs/dbraw/zinc/27/80/96/603278096.db2.gz YPXUFEPRCUAFOY-UHFFFAOYSA-N -1 0 368.390 -0.799 20 0 FBADRM Cn1cc(C(=O)Nc2cccc(OCCNC(=O)[O-])c2)c(=O)n(C)c1=O ZINC000740284093 602952471 /nfs/dbraw/zinc/95/24/71/602952471.db2.gz JYTIRIJFPRHGPD-UHFFFAOYSA-N -1 0 362.342 -0.017 20 0 FBADRM O=C([O-])c1ncn(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000740284459 599825738 /nfs/dbraw/zinc/82/57/38/599825738.db2.gz KTACQPRRAFWNFF-LLVKDONJSA-N -1 0 356.404 -0.065 20 0 FBADRM O=C([O-])c1ncn(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000740284460 599825899 /nfs/dbraw/zinc/82/58/99/599825899.db2.gz KTACQPRRAFWNFF-NSHDSACASA-N -1 0 356.404 -0.065 20 0 FBADRM Cn1cc(C(=O)Nc2nc3c(s2)CN(C(=O)[O-])CC3)c(=O)n(C)c1=O ZINC000740284581 602950079 /nfs/dbraw/zinc/95/00/79/602950079.db2.gz NUADDECKFILPMH-UHFFFAOYSA-N -1 0 365.371 -0.171 20 0 FBADRM CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000740284702 603095734 /nfs/dbraw/zinc/09/57/34/603095734.db2.gz VFXIXZCFPPJQHR-BBBLOLIVSA-N -1 0 355.420 -0.077 20 0 FBADRM CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000740284703 603095621 /nfs/dbraw/zinc/09/56/21/603095621.db2.gz VFXIXZCFPPJQHR-KXUCPTDWSA-N -1 0 355.420 -0.077 20 0 FBADRM CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000740284704 603095829 /nfs/dbraw/zinc/09/58/29/603095829.db2.gz VFXIXZCFPPJQHR-OPRDCNLKSA-N -1 0 355.420 -0.077 20 0 FBADRM CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000740284705 603095715 /nfs/dbraw/zinc/09/57/15/603095715.db2.gz VFXIXZCFPPJQHR-UTLUCORTSA-N -1 0 355.420 -0.077 20 0 FBADRM Cn1cc(C(=O)NCC2CCN(C(=O)NCCNC(=O)[O-])CC2)cn1 ZINC000740285075 602321975 /nfs/dbraw/zinc/32/19/75/602321975.db2.gz SGPGGEGSVMFRNF-UHFFFAOYSA-N -1 0 352.395 -0.161 20 0 FBADRM Cn1cc(C(=O)NCC2CCN(C(=O)COCCNC(=O)[O-])CC2)cn1 ZINC000740285100 602664848 /nfs/dbraw/zinc/66/48/48/602664848.db2.gz SQAOXDKREAJNHJ-UHFFFAOYSA-N -1 0 367.406 -0.327 20 0 FBADRM Cn1cc(C(=O)NCc2ccc(CCNC(=O)[O-])cc2)c(=O)n(C)c1=O ZINC000740285143 602952406 /nfs/dbraw/zinc/95/24/06/602952406.db2.gz UDVVEDXSTYHMHT-UHFFFAOYSA-N -1 0 360.370 -0.176 20 0 FBADRM Cn1cc(C(=O)Nc2ccc(N3CCN(C(=O)[O-])CC3)cn2)c(=O)[nH]c1=O ZINC000740285305 602119971 /nfs/dbraw/zinc/11/99/71/602119971.db2.gz XHJZVLQEGBETNO-UHFFFAOYSA-N -1 0 374.357 -0.067 20 0 FBADRM Cn1cc(CCCNC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)cn1 ZINC000740285600 602294680 /nfs/dbraw/zinc/29/46/80/602294680.db2.gz DMWWCZGPQOOIGY-UHFFFAOYSA-N -1 0 352.395 -0.526 20 0 FBADRM O=C([O-])c1ncn(CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)n1 ZINC000740285698 600428953 /nfs/dbraw/zinc/42/89/53/600428953.db2.gz ZCZFQCCTKVAJSP-UHFFFAOYSA-N -1 0 374.405 -0.617 20 0 FBADRM Cn1cc(C(=O)OCc2nc(C(C)(C)NC(=O)[O-])no2)c(=O)n(C)c1=O ZINC000740286956 602971832 /nfs/dbraw/zinc/97/18/32/602971832.db2.gz GZEZTUNZYCGPCB-UHFFFAOYSA-N -1 0 367.318 -0.673 20 0 FBADRM Cn1cc(/C=C/C(=O)NC2(CNC(=O)[O-])CCCC2)c(=O)n(C)c1=O ZINC000740286973 602442574 /nfs/dbraw/zinc/44/25/74/602442574.db2.gz HQLSRKBJPUJWMJ-AATRIKPKSA-N -1 0 350.375 -0.206 20 0 FBADRM Cn1cc(/C=C\C(=O)NC2(CNC(=O)[O-])CCCC2)c(=O)n(C)c1=O ZINC000740286974 602442487 /nfs/dbraw/zinc/44/24/87/602442487.db2.gz HQLSRKBJPUJWMJ-WAYWQWQTSA-N -1 0 350.375 -0.206 20 0 FBADRM Cn1cc(/C=C/C(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740286978 602642844 /nfs/dbraw/zinc/64/28/44/602642844.db2.gz HROLTEWXWPBUHZ-BTDICHCPSA-N -1 0 364.402 -0.007 20 0 FBADRM Cn1cc(/C=C\C(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740286979 602643018 /nfs/dbraw/zinc/64/30/18/602643018.db2.gz HROLTEWXWPBUHZ-FJOGCWAESA-N -1 0 364.402 -0.007 20 0 FBADRM Cn1cc(/C=C\C(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740286980 602642963 /nfs/dbraw/zinc/64/29/63/602642963.db2.gz HROLTEWXWPBUHZ-FOQNGQEVSA-N -1 0 364.402 -0.007 20 0 FBADRM Cn1cc(/C=C/C(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740286981 602643006 /nfs/dbraw/zinc/64/30/06/602643006.db2.gz HROLTEWXWPBUHZ-FYJFLYSWSA-N -1 0 364.402 -0.007 20 0 FBADRM Cn1cc(/C=C\C(=O)N[C@](C)(CNC(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000740287025 602439778 /nfs/dbraw/zinc/43/97/78/602439778.db2.gz IPSRKJXENXIRFV-HQQUCIOCSA-N -1 0 350.375 -0.350 20 0 FBADRM Cn1cc(/C=C/C(=O)N[C@](C)(CNC(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000740287026 602439734 /nfs/dbraw/zinc/43/97/34/602439734.db2.gz IPSRKJXENXIRFV-IEXSPKMKSA-N -1 0 350.375 -0.350 20 0 FBADRM Cn1cc(/C=C\C(=O)N[C@@](C)(CNC(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000740287027 602439825 /nfs/dbraw/zinc/43/98/25/602439825.db2.gz IPSRKJXENXIRFV-OUOZUETKSA-N -1 0 350.375 -0.350 20 0 FBADRM Cn1cc(/C=C/C(=O)N[C@@](C)(CNC(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000740287028 602439674 /nfs/dbraw/zinc/43/96/74/602439674.db2.gz IPSRKJXENXIRFV-RRGWEWPQSA-N -1 0 350.375 -0.350 20 0 FBADRM Cn1cc(CN2CCCN(C(=O)[C@@H]3COCCN3C(=O)[O-])CC2)cn1 ZINC000740287203 602892562 /nfs/dbraw/zinc/89/25/62/602892562.db2.gz YJFLOIZCLZPHAC-AWEZNQCLSA-N -1 0 351.407 -0.167 20 0 FBADRM Cn1cc(CN2CCCN(C(=O)[C@H]3COCCN3C(=O)[O-])CC2)cn1 ZINC000740287205 602892610 /nfs/dbraw/zinc/89/26/10/602892610.db2.gz YJFLOIZCLZPHAC-CQSZACIVSA-N -1 0 351.407 -0.167 20 0 FBADRM Cn1cc(/C=C\C(=O)NCC[C@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740287327 602416674 /nfs/dbraw/zinc/41/66/74/602416674.db2.gz KRBOHQVPWLKPOR-BYCRGOAPSA-N -1 0 350.375 -0.397 20 0 FBADRM Cn1cc(/C=C\C(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740287328 602416704 /nfs/dbraw/zinc/41/67/04/602416704.db2.gz KRBOHQVPWLKPOR-DLRQAJBASA-N -1 0 350.375 -0.397 20 0 FBADRM Cn1cc(/C=C/C(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740287329 602416684 /nfs/dbraw/zinc/41/66/84/602416684.db2.gz KRBOHQVPWLKPOR-PGLGOXFNSA-N -1 0 350.375 -0.397 20 0 FBADRM Cn1cc(/C=C/C(=O)NCC[C@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740287330 602416688 /nfs/dbraw/zinc/41/66/88/602416688.db2.gz KRBOHQVPWLKPOR-UFFNRZRYSA-N -1 0 350.375 -0.397 20 0 FBADRM Cn1cc(/C=C/C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(=O)n(C)c1=O ZINC000740287509 603005553 /nfs/dbraw/zinc/00/55/53/603005553.db2.gz NBTRZUNGULGQPK-AAPAKBRLSA-N -1 0 362.386 -0.113 20 0 FBADRM Cn1cc(/C=C\C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(=O)n(C)c1=O ZINC000740287510 603005489 /nfs/dbraw/zinc/00/54/89/603005489.db2.gz NBTRZUNGULGQPK-FVKLXKHDSA-N -1 0 362.386 -0.113 20 0 FBADRM Cn1cc(/C=C\C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])c(=O)n(C)c1=O ZINC000740287662 602974995 /nfs/dbraw/zinc/97/49/95/602974995.db2.gz OTEWHAUXZCZOME-PCQKXGFJSA-N -1 0 350.375 -0.350 20 0 FBADRM Cn1cc(/C=C/C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])c(=O)n(C)c1=O ZINC000740287663 602975173 /nfs/dbraw/zinc/97/51/73/602975173.db2.gz OTEWHAUXZCZOME-PWBFPFQSSA-N -1 0 350.375 -0.350 20 0 FBADRM Cn1cc(/C=C/C(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])c(=O)n(C)c1=O ZINC000740287664 602975122 /nfs/dbraw/zinc/97/51/22/602975122.db2.gz OTEWHAUXZCZOME-SKBQGCEYSA-N -1 0 350.375 -0.350 20 0 FBADRM Cn1cc(/C=C\C(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])c(=O)n(C)c1=O ZINC000740287665 602975162 /nfs/dbraw/zinc/97/51/62/602975162.db2.gz OTEWHAUXZCZOME-ZHLQDTFKSA-N -1 0 350.375 -0.350 20 0 FBADRM Cn1cc([C@@H]2CCN(C(=O)NCC(=O)N3CCN(C(=O)[O-])CC3)C2)cn1 ZINC000740288012 602931375 /nfs/dbraw/zinc/93/13/75/602931375.db2.gz SRYNONXVZDQIPY-GFCCVEGCSA-N -1 0 364.406 -0.259 20 0 FBADRM Cn1cc([C@H]2CCN(C(=O)NCC(=O)N3CCN(C(=O)[O-])CC3)C2)cn1 ZINC000740288013 602931258 /nfs/dbraw/zinc/93/12/58/602931258.db2.gz SRYNONXVZDQIPY-LBPRGKRZSA-N -1 0 364.406 -0.259 20 0 FBADRM Cn1cc(N2CCC[C@@H](NC(=O)CN3CCN(C(=O)[O-])CC3=O)C2)cn1 ZINC000740288072 603224929 /nfs/dbraw/zinc/22/49/29/603224929.db2.gz ASLQSHOYQVBCPD-GFCCVEGCSA-N -1 0 364.406 -0.673 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)CN3CCN(C(=O)[O-])CC3=O)C2)cn1 ZINC000740288073 603224736 /nfs/dbraw/zinc/22/47/36/603224736.db2.gz ASLQSHOYQVBCPD-LBPRGKRZSA-N -1 0 364.406 -0.673 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)CN(C[C@H]3CCCO3)C(=O)[O-])C2=O)cn1 ZINC000740288083 603424087 /nfs/dbraw/zinc/42/40/87/603424087.db2.gz AWSIQZWYJGKCAA-CHWSQXEVSA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)CN(C[C@H]3CCCO3)C(=O)[O-])C2=O)cn1 ZINC000740288084 603424162 /nfs/dbraw/zinc/42/41/62/603424162.db2.gz AWSIQZWYJGKCAA-OLZOCXBDSA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)CN(C[C@@H]3CCCO3)C(=O)[O-])C2=O)cn1 ZINC000740288085 603423999 /nfs/dbraw/zinc/42/39/99/603423999.db2.gz AWSIQZWYJGKCAA-QWHCGFSZSA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)CN(C[C@@H]3CCCO3)C(=O)[O-])C2=O)cn1 ZINC000740288086 603424160 /nfs/dbraw/zinc/42/41/60/603424160.db2.gz AWSIQZWYJGKCAA-STQMWFEESA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1cc(/C=C/C(=O)N2CCN(C(=O)[O-])CC2(C)C)c(=O)n(C)c1=O ZINC000740288356 603066925 /nfs/dbraw/zinc/06/69/25/603066925.db2.gz UNOJGDXHGFWNJL-AATRIKPKSA-N -1 0 350.375 -0.302 20 0 FBADRM Cn1cc(/C=C\C(=O)N2CCN(C(=O)[O-])CC2(C)C)c(=O)n(C)c1=O ZINC000740288357 603067369 /nfs/dbraw/zinc/06/73/69/603067369.db2.gz UNOJGDXHGFWNJL-WAYWQWQTSA-N -1 0 350.375 -0.302 20 0 FBADRM Cn1cc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740288576 597121289 /nfs/dbraw/zinc/12/12/89/597121289.db2.gz AWMBWOVESPTYIE-CYBMUJFWSA-N -1 0 371.353 -0.258 20 0 FBADRM Cn1cc(NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740288577 597121052 /nfs/dbraw/zinc/12/10/52/597121052.db2.gz AWMBWOVESPTYIE-ZDUSSCGKSA-N -1 0 371.353 -0.258 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCNC(=O)[O-] ZINC000740288580 602348822 /nfs/dbraw/zinc/34/88/22/602348822.db2.gz AZJHDEYMGZNRLD-UHFFFAOYSA-N -1 0 374.419 -0.567 20 0 FBADRM Cn1cc(/C=C\C(=O)NC2CCC(NC(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000740288884 603072585 /nfs/dbraw/zinc/07/25/85/603072585.db2.gz ZFOZFUDWQLQPGC-BAQGIRSFSA-N -1 0 350.375 -0.208 20 0 FBADRM Cn1cc(/C=C/C(=O)NC2CCC(NC(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000740288886 603072773 /nfs/dbraw/zinc/07/27/73/603072773.db2.gz ZFOZFUDWQLQPGC-FPYGCLRLSA-N -1 0 350.375 -0.208 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)CCCNC(=O)[O-])CC2)cn1 ZINC000740289145 603064272 /nfs/dbraw/zinc/06/42/72/603064272.db2.gz GLDSWCVXBYGTHD-UHFFFAOYSA-N -1 0 373.435 -0.263 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)NCC2(NC(=O)[O-])CCCCC2)cn1 ZINC000740289162 601859945 /nfs/dbraw/zinc/85/99/45/601859945.db2.gz GQWCHAHSLXKYMV-UHFFFAOYSA-N -1 0 373.435 -0.215 20 0 FBADRM Cn1cc(S(=O)(=O)NCc2nc(C3(NC(=O)[O-])CCC3)no2)cn1 ZINC000740289165 603004377 /nfs/dbraw/zinc/00/43/77/603004377.db2.gz GRRWKNCAWYUGNC-UHFFFAOYSA-N -1 0 356.364 -0.072 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc(NC(=O)[O-])nc2)cn1 ZINC000740289734 602036819 /nfs/dbraw/zinc/03/68/19/602036819.db2.gz JIFCFZVPSRPFBO-UHFFFAOYSA-N -1 0 354.348 -0.178 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)NC2(CNC(=O)[O-])CCCC2)cn1 ZINC000740289881 602520448 /nfs/dbraw/zinc/52/04/48/602520448.db2.gz LADLIFDDGYUIMQ-UHFFFAOYSA-N -1 0 359.408 -0.605 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N[C@](C)(CNC(=O)[O-])C2CC2)cn1 ZINC000740289965 602507557 /nfs/dbraw/zinc/50/75/57/602507557.db2.gz LTKRRINSHFVAGC-CYBMUJFWSA-N -1 0 359.408 -0.749 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N[C@@](C)(CNC(=O)[O-])C2CC2)cn1 ZINC000740289966 602507547 /nfs/dbraw/zinc/50/75/47/602507547.db2.gz LTKRRINSHFVAGC-ZDUSSCGKSA-N -1 0 359.408 -0.749 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])cn1 ZINC000740289970 602990118 /nfs/dbraw/zinc/99/01/18/602990118.db2.gz LZNDWKHTDBEDNB-CMPLNLGQSA-N -1 0 373.435 -0.359 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])cn1 ZINC000740289977 602990388 /nfs/dbraw/zinc/99/03/88/602990388.db2.gz LZNDWKHTDBEDNB-JQWIXIFHSA-N -1 0 373.435 -0.359 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])cn1 ZINC000740289979 602990405 /nfs/dbraw/zinc/99/04/05/602990405.db2.gz LZNDWKHTDBEDNB-PWSUYJOCSA-N -1 0 373.435 -0.359 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])cn1 ZINC000740289981 602990156 /nfs/dbraw/zinc/99/01/56/602990156.db2.gz LZNDWKHTDBEDNB-ZYHUDNBSSA-N -1 0 373.435 -0.359 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)cn1 ZINC000740289985 837846957 /nfs/dbraw/zinc/84/69/57/837846957.db2.gz MCQDVLNUIAARDW-JTQLQIEISA-N -1 0 359.408 -0.795 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)cn1 ZINC000740289987 837847190 /nfs/dbraw/zinc/84/71/90/837847190.db2.gz MCQDVLNUIAARDW-SNVBAGLBSA-N -1 0 359.408 -0.795 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)N3CCC(NC(=O)[O-])CC3)C2=O)cn1 ZINC000740290200 603050200 /nfs/dbraw/zinc/05/02/00/603050200.db2.gz NCPASDURCIRNHA-GFCCVEGCSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)N3CCC(NC(=O)[O-])CC3)C2=O)cn1 ZINC000740290202 603050238 /nfs/dbraw/zinc/05/02/38/603050238.db2.gz NCPASDURCIRNHA-LBPRGKRZSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)NC[C@@H]3CCCN3C(=O)[O-])C2=O)cn1 ZINC000740290207 603026647 /nfs/dbraw/zinc/02/66/47/603026647.db2.gz NGMJJMXKPVSEJK-CMPLNLGQSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)NC[C@@H]3CCCN3C(=O)[O-])C2=O)cn1 ZINC000740290208 603026442 /nfs/dbraw/zinc/02/64/42/603026442.db2.gz NGMJJMXKPVSEJK-JQWIXIFHSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)NC[C@H]3CCCN3C(=O)[O-])C2=O)cn1 ZINC000740290209 603026348 /nfs/dbraw/zinc/02/63/48/603026348.db2.gz NGMJJMXKPVSEJK-PWSUYJOCSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)NC[C@H]3CCCN3C(=O)[O-])C2=O)cn1 ZINC000740290210 603026338 /nfs/dbraw/zinc/02/63/38/603026338.db2.gz NGMJJMXKPVSEJK-ZYHUDNBSSA-N -1 0 350.379 -0.033 20 0 FBADRM O=C([O-])c1coc(COC(=O)C2=NC=CN3CCS(=O)(=O)N=C23)c1 ZINC000740290373 599878182 /nfs/dbraw/zinc/87/81/82/599878182.db2.gz MFYDODFEDMJLPT-UHFFFAOYSA-N -1 0 353.312 -0.009 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])cn1 ZINC000740290458 602974973 /nfs/dbraw/zinc/97/49/73/602974973.db2.gz OEYFARGCVCKKPA-GXSJLCMTSA-N -1 0 359.408 -0.749 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])cn1 ZINC000740290461 602975155 /nfs/dbraw/zinc/97/51/55/602975155.db2.gz OEYFARGCVCKKPA-KOLCDFICSA-N -1 0 359.408 -0.749 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])cn1 ZINC000740290465 602974993 /nfs/dbraw/zinc/97/49/93/602974993.db2.gz OEYFARGCVCKKPA-MWLCHTKSSA-N -1 0 359.408 -0.749 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])cn1 ZINC000740290470 602975092 /nfs/dbraw/zinc/97/50/92/602975092.db2.gz OEYFARGCVCKKPA-ONGXEEELSA-N -1 0 359.408 -0.749 20 0 FBADRM Cn1cc(S(=O)(=O)Oc2cccc(CNC(=O)[O-])c2)c(=O)n(C)c1=O ZINC000740290513 602455450 /nfs/dbraw/zinc/45/54/50/602455450.db2.gz ONLBIYWTJFTZCT-UHFFFAOYSA-N -1 0 369.355 -0.381 20 0 FBADRM Cn1cc(S(=O)(=O)NCC2(NC(=O)[O-])CCCCC2)c(=O)n(C)c1=O ZINC000740290517 601986918 /nfs/dbraw/zinc/98/69/18/601986918.db2.gz OVLZHGVRBKSPNE-UHFFFAOYSA-N -1 0 374.419 -0.667 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)NCC2CCN(C(=O)[O-])CC2)cn1 ZINC000740291091 601862583 /nfs/dbraw/zinc/86/25/83/601862583.db2.gz SQEWMWJEYLOQCK-UHFFFAOYSA-N -1 0 359.408 -0.795 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cn1 ZINC000740291157 603003913 /nfs/dbraw/zinc/00/39/13/603003913.db2.gz UBJGIZJOZSHYFJ-FGWVZKOKSA-N -1 0 371.419 -0.512 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000740291177 601865773 /nfs/dbraw/zinc/86/57/73/601865773.db2.gz UGXPJMFLFWWKDH-JTQLQIEISA-N -1 0 359.408 -0.795 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000740291179 601865657 /nfs/dbraw/zinc/86/56/57/601865657.db2.gz UGXPJMFLFWWKDH-SNVBAGLBSA-N -1 0 359.408 -0.795 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)NC2CCC(NC(=O)[O-])CC2)cn1 ZINC000740291193 603075592 /nfs/dbraw/zinc/07/55/92/603075592.db2.gz UPMQFXTWKYGIOI-UHFFFAOYSA-N -1 0 359.408 -0.607 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)NCCN(C(=O)[O-])C3CC3)C2=O)cn1 ZINC000740291209 603026506 /nfs/dbraw/zinc/02/65/06/603026506.db2.gz PNHVGSGEJMBILN-GFCCVEGCSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)NCCN(C(=O)[O-])C3CC3)C2=O)cn1 ZINC000740291211 603026357 /nfs/dbraw/zinc/02/63/57/603026357.db2.gz PNHVGSGEJMBILN-LBPRGKRZSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1ccc(N2CCC[C@@H](NC(=O)[C@H]3COCCN3C(=O)[O-])C2=O)n1 ZINC000740291340 603045106 /nfs/dbraw/zinc/04/51/06/603045106.db2.gz ATABCPLVXNJZNZ-GHMZBOCLSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1ccc(N2CCC[C@@H](NC(=O)[C@@H]3COCCN3C(=O)[O-])C2=O)n1 ZINC000740291341 603045282 /nfs/dbraw/zinc/04/52/82/603045282.db2.gz ATABCPLVXNJZNZ-MNOVXSKESA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)[C@@H]3COCCN3C(=O)[O-])C2=O)n1 ZINC000740291342 603045429 /nfs/dbraw/zinc/04/54/29/603045429.db2.gz ATABCPLVXNJZNZ-QWRGUYRKSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)[C@H]3COCCN3C(=O)[O-])C2=O)n1 ZINC000740291343 603045254 /nfs/dbraw/zinc/04/52/54/603045254.db2.gz ATABCPLVXNJZNZ-WDEREUQCSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CN(C(=O)[O-])C1 ZINC000740291573 604761326 /nfs/dbraw/zinc/76/13/26/604761326.db2.gz WCUOIWQWXRTKAB-UHFFFAOYSA-N -1 0 372.403 -0.862 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000740291575 602642374 /nfs/dbraw/zinc/64/23/74/602642374.db2.gz WCXUOQYREGNHPC-LLVKDONJSA-N -1 0 373.435 -0.405 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000740291577 602642390 /nfs/dbraw/zinc/64/23/90/602642390.db2.gz WCXUOQYREGNHPC-NSHDSACASA-N -1 0 373.435 -0.405 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCCNC(=O)[O-])CC2)cn1 ZINC000740291715 603082855 /nfs/dbraw/zinc/08/28/55/603082855.db2.gz XQACOJXGZUFCFD-UHFFFAOYSA-N -1 0 374.423 -0.860 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)N[C@@H](CNC(=O)[O-])C3CC3)C2=O)cn1 ZINC000740292747 603093517 /nfs/dbraw/zinc/09/35/17/603093517.db2.gz WAUYZABOXAZHHW-NEPJUHHUSA-N -1 0 350.379 -0.129 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)N[C@H](CNC(=O)[O-])C3CC3)C2=O)cn1 ZINC000740292749 603093264 /nfs/dbraw/zinc/09/32/64/603093264.db2.gz WAUYZABOXAZHHW-NWDGAFQWSA-N -1 0 350.379 -0.129 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)N[C@@H](CNC(=O)[O-])C3CC3)C2=O)cn1 ZINC000740292751 603093634 /nfs/dbraw/zinc/09/36/34/603093634.db2.gz WAUYZABOXAZHHW-RYUDHWBXSA-N -1 0 350.379 -0.129 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)N[C@H](CNC(=O)[O-])C3CC3)C2=O)cn1 ZINC000740292753 603093372 /nfs/dbraw/zinc/09/33/72/603093372.db2.gz WAUYZABOXAZHHW-VXGBXAGGSA-N -1 0 350.379 -0.129 20 0 FBADRM Cn1cc(N2CCC[C@@H](NC(=O)[C@@H]3COCCN3C(=O)[O-])C2=O)cn1 ZINC000740293251 602918613 /nfs/dbraw/zinc/91/86/13/602918613.db2.gz WUOGCZACIFRCDM-NEPJUHHUSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)[C@H]3COCCN3C(=O)[O-])C2=O)cn1 ZINC000740293252 602918783 /nfs/dbraw/zinc/91/87/83/602918783.db2.gz WUOGCZACIFRCDM-NWDGAFQWSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)[C@@H]3COCCN3C(=O)[O-])C2=O)cn1 ZINC000740293253 602918963 /nfs/dbraw/zinc/91/89/63/602918963.db2.gz WUOGCZACIFRCDM-RYUDHWBXSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(N2CCC[C@@H](NC(=O)[C@H]3COCCN3C(=O)[O-])C2=O)cn1 ZINC000740293254 602918665 /nfs/dbraw/zinc/91/86/65/602918665.db2.gz WUOGCZACIFRCDM-VXGBXAGGSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)N3CC[C@@H](CNC(=O)[O-])C3)C2=O)cn1 ZINC000740293381 603050310 /nfs/dbraw/zinc/05/03/10/603050310.db2.gz YOZJIMBFFXCVIX-CMPLNLGQSA-N -1 0 350.379 -0.176 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)N3CC[C@@H](CNC(=O)[O-])C3)C2=O)cn1 ZINC000740293382 603050671 /nfs/dbraw/zinc/05/06/71/603050671.db2.gz YOZJIMBFFXCVIX-JQWIXIFHSA-N -1 0 350.379 -0.176 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)N3CC[C@H](CNC(=O)[O-])C3)C2=O)cn1 ZINC000740293383 603050470 /nfs/dbraw/zinc/05/04/70/603050470.db2.gz YOZJIMBFFXCVIX-PWSUYJOCSA-N -1 0 350.379 -0.176 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)N3CC[C@H](CNC(=O)[O-])C3)C2=O)cn1 ZINC000740293384 603050178 /nfs/dbraw/zinc/05/01/78/603050178.db2.gz YOZJIMBFFXCVIX-ZYHUDNBSSA-N -1 0 350.379 -0.176 20 0 FBADRM Cn1cnnc1CNC(=O)C(=O)Nc1cccc(OCCNC(=O)[O-])c1 ZINC000740293704 602290772 /nfs/dbraw/zinc/29/07/72/602290772.db2.gz HAULMOZEERMVLH-UHFFFAOYSA-N -1 0 362.346 -0.284 20 0 FBADRM Cn1cnc2c1CCN(CN1C(=O)NC3(CCN(C(=O)[O-])CC3)C1=O)C2 ZINC000740293713 603052733 /nfs/dbraw/zinc/05/27/33/603052733.db2.gz HHWKRGZCGZMJIE-UHFFFAOYSA-N -1 0 362.390 -0.200 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(NC(=O)[O-])nc1)c(=O)n2C ZINC000740294037 601997655 /nfs/dbraw/zinc/99/76/55/601997655.db2.gz ILOGVFLTSWJYKS-UHFFFAOYSA-N -1 0 373.329 -0.443 20 0 FBADRM Cn1cnnc1C1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000740294131 603016163 /nfs/dbraw/zinc/01/61/63/603016163.db2.gz JULWRDBGDXVXBR-UHFFFAOYSA-N -1 0 350.379 -0.657 20 0 FBADRM Cn1cccc1C(=O)N1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000740295331 602851809 /nfs/dbraw/zinc/85/18/09/602851809.db2.gz QZHUMMBEEBSJFN-CYBMUJFWSA-N -1 0 350.375 -0.312 20 0 FBADRM Cn1cccc1C(=O)N1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000740295333 602851970 /nfs/dbraw/zinc/85/19/70/602851970.db2.gz QZHUMMBEEBSJFN-ZDUSSCGKSA-N -1 0 350.375 -0.312 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)O[C@@H]1CCCN(C(=O)[O-])C1)c(=O)n2C ZINC000740295402 602235065 /nfs/dbraw/zinc/23/50/65/602235065.db2.gz PLUSXSLBAZEYBP-SECBINFHSA-N -1 0 365.346 -0.881 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)O[C@H]1CCCN(C(=O)[O-])C1)c(=O)n2C ZINC000740295403 605957687 /nfs/dbraw/zinc/95/76/87/605957687.db2.gz PLUSXSLBAZEYBP-VIFPVBQESA-N -1 0 365.346 -0.881 20 0 FBADRM Cn1cnnc1[C@@H]1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000740295411 603015906 /nfs/dbraw/zinc/01/59/06/603015906.db2.gz PWCSLIKQYKIJCD-LLVKDONJSA-N -1 0 350.379 -0.657 20 0 FBADRM Cn1cnnc1[C@H]1CCCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000740295412 603015898 /nfs/dbraw/zinc/01/58/98/603015898.db2.gz PWCSLIKQYKIJCD-NSHDSACASA-N -1 0 350.379 -0.657 20 0 FBADRM Cn1cnc2c1CCN(C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)C2 ZINC000740295713 603166460 /nfs/dbraw/zinc/16/64/60/603166460.db2.gz NPBJLBCIGQRDMA-UHFFFAOYSA-N -1 0 350.379 -0.690 20 0 FBADRM Cn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)c1 ZINC000740295748 602183413 /nfs/dbraw/zinc/18/34/13/602183413.db2.gz OCAQIVAGAADGGF-JTQLQIEISA-N -1 0 359.408 -0.795 20 0 FBADRM Cn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)c1 ZINC000740295750 602183446 /nfs/dbraw/zinc/18/34/46/602183446.db2.gz OCAQIVAGAADGGF-SNVBAGLBSA-N -1 0 359.408 -0.795 20 0 FBADRM Cn1cccc(C(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)c1=O ZINC000740296331 602571855 /nfs/dbraw/zinc/57/18/55/602571855.db2.gz WPUFHTZSICWZHM-LLVKDONJSA-N -1 0 350.375 -0.379 20 0 FBADRM Cn1cccc(C(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)c1=O ZINC000740296335 602571853 /nfs/dbraw/zinc/57/18/53/602571853.db2.gz WPUFHTZSICWZHM-NSHDSACASA-N -1 0 350.375 -0.379 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)OC[C@H]1CCCN1C(=O)[O-])c(=O)n2C ZINC000740296494 602918000 /nfs/dbraw/zinc/91/80/00/602918000.db2.gz XPMAISDCVNRIHO-SECBINFHSA-N -1 0 365.346 -0.881 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)OC[C@@H]1CCCN1C(=O)[O-])c(=O)n2C ZINC000740296495 602917934 /nfs/dbraw/zinc/91/79/34/602917934.db2.gz XPMAISDCVNRIHO-VIFPVBQESA-N -1 0 365.346 -0.881 20 0 FBADRM Cn1ncc2c1ncnc2N1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000740297005 602659554 /nfs/dbraw/zinc/65/95/54/602659554.db2.gz LDNMUOGWDFSITR-UHFFFAOYSA-N -1 0 363.378 -0.704 20 0 FBADRM Cn1ncc2c1nc(N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1)[nH]c2=O ZINC000740297242 602314869 /nfs/dbraw/zinc/31/48/69/602314869.db2.gz MDADIHDVOBNGRJ-SECBINFHSA-N -1 0 363.378 -0.331 20 0 FBADRM Cn1ncc2c1nc(N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1)[nH]c2=O ZINC000740297243 602315302 /nfs/dbraw/zinc/31/53/02/602315302.db2.gz MDADIHDVOBNGRJ-VIFPVBQESA-N -1 0 363.378 -0.331 20 0 FBADRM Cn1ncc2c1ncnc2N1CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000740297279 602636411 /nfs/dbraw/zinc/63/64/11/602636411.db2.gz MDRQLEXTOQRYEC-LLVKDONJSA-N -1 0 374.405 -0.053 20 0 FBADRM Cn1ncc2c1ncnc2N1CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000740297284 602636371 /nfs/dbraw/zinc/63/63/71/602636371.db2.gz MDRQLEXTOQRYEC-NSHDSACASA-N -1 0 374.405 -0.053 20 0 FBADRM Cn1ccnc1CNC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000740297958 837847587 /nfs/dbraw/zinc/84/75/87/837847587.db2.gz ZORGEORCCXIXHH-LLVKDONJSA-N -1 0 352.395 -0.275 20 0 FBADRM Cn1ccnc1CNC(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000740297961 837848276 /nfs/dbraw/zinc/84/82/76/837848276.db2.gz ZORGEORCCXIXHH-NSHDSACASA-N -1 0 352.395 -0.275 20 0 FBADRM Cn1ncc2c1ncnc2N1CCN(C(=O)NCCCNC(=O)[O-])CC1 ZINC000740298419 602422015 /nfs/dbraw/zinc/42/20/15/602422015.db2.gz SIQBHKDMRQTJBF-UHFFFAOYSA-N -1 0 362.394 -0.147 20 0 FBADRM Cn1ccnc1CN1CCCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000740298673 602892598 /nfs/dbraw/zinc/89/25/98/602892598.db2.gz GAZNROBVMJEJKT-CYBMUJFWSA-N -1 0 351.407 -0.167 20 0 FBADRM Cn1ccnc1CN1CCCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000740298675 602892915 /nfs/dbraw/zinc/89/29/15/602892915.db2.gz GAZNROBVMJEJKT-ZDUSSCGKSA-N -1 0 351.407 -0.167 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)NC1C[C@H]3CC[C@@H](C1)N3C(=O)[O-])c2=O ZINC000740298872 603006523 /nfs/dbraw/zinc/00/65/23/603006523.db2.gz WRLZWILMGHYXHS-FGWVZKOKSA-N -1 0 360.374 -0.080 20 0 FBADRM Cn1nc(Br)c2c1ncn(CC(=O)NCCNC(=O)[O-])c2=O ZINC000740301342 602325227 /nfs/dbraw/zinc/32/52/27/602325227.db2.gz IPPYMZUAITZZTR-UHFFFAOYSA-N -1 0 373.167 -0.724 20 0 FBADRM Cn1nnnc1-c1cccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000740305802 602988396 /nfs/dbraw/zinc/98/83/96/602988396.db2.gz YBQUPFOAKNDKOJ-UHFFFAOYSA-N -1 0 359.346 -0.362 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2CCNC(=O)C2)c(OC(F)F)c1 ZINC000740305997 600415506 /nfs/dbraw/zinc/41/55/06/600415506.db2.gz QAAHTHZNFGSEAN-UHFFFAOYSA-N -1 0 357.269 -0.117 20 0 FBADRM O=C(COC(=O)CN1CCC(=O)NC1=O)Nc1ccsc1C(=O)[O-] ZINC000740306052 600215094 /nfs/dbraw/zinc/21/50/94/600215094.db2.gz RXHXTUBCQTVPIC-UHFFFAOYSA-N -1 0 355.328 -0.130 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cc3c(cc2F)CCC(=O)N3)CCO1 ZINC000740306459 600055402 /nfs/dbraw/zinc/05/54/02/600055402.db2.gz YIUSLQLNBTYBEM-GFCCVEGCSA-N -1 0 365.317 -0.039 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2F)CCC(=O)N3)CCO1 ZINC000740306468 600055325 /nfs/dbraw/zinc/05/53/25/600055325.db2.gz YIUSLQLNBTYBEM-LBPRGKRZSA-N -1 0 365.317 -0.039 20 0 FBADRM O=C(COC(=O)CN1CCC(=O)NC1=O)NC1(C(=O)[O-])CCCCC1 ZINC000740306609 600215102 /nfs/dbraw/zinc/21/51/02/600215102.db2.gz ZJGUNGYRAWPKBH-UHFFFAOYSA-N -1 0 355.347 -0.625 20 0 FBADRM O=C([O-])c1cc(N2CCOCC2)ccc1NC(=O)CN1CC(=O)NC1=O ZINC000740307052 600641177 /nfs/dbraw/zinc/64/11/77/600641177.db2.gz MNMYGHVYINDZOF-UHFFFAOYSA-N -1 0 362.342 -0.288 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CS3)CCO1 ZINC000740307851 600055368 /nfs/dbraw/zinc/05/53/68/600055368.db2.gz XSBZJXLHKGUISC-JTQLQIEISA-N -1 0 365.367 -0.019 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CS3)CCO1 ZINC000740307853 600055415 /nfs/dbraw/zinc/05/54/15/600055415.db2.gz XSBZJXLHKGUISC-SNVBAGLBSA-N -1 0 365.367 -0.019 20 0 FBADRM NC(=O)[C@H](CNC(=O)[C@@H]1COCCN1C(=O)[O-])Cc1ccc(F)cc1 ZINC000740322890 602862384 /nfs/dbraw/zinc/86/23/84/602862384.db2.gz FCUOEPPTBTTYLC-AAEUAGOBSA-N -1 0 353.350 -0.035 20 0 FBADRM NC(=O)[C@@H](CNC(=O)[C@H]1COCCN1C(=O)[O-])Cc1ccc(F)cc1 ZINC000740322892 602862203 /nfs/dbraw/zinc/86/22/03/602862203.db2.gz FCUOEPPTBTTYLC-DGCLKSJQSA-N -1 0 353.350 -0.035 20 0 FBADRM NC(=O)[C@H](CNC(=O)[C@H]1COCCN1C(=O)[O-])Cc1ccc(F)cc1 ZINC000740322894 602862152 /nfs/dbraw/zinc/86/21/52/602862152.db2.gz FCUOEPPTBTTYLC-WCQYABFASA-N -1 0 353.350 -0.035 20 0 FBADRM NC(=O)[C@@H](CNC(=O)[C@@H]1COCCN1C(=O)[O-])Cc1ccc(F)cc1 ZINC000740322896 602862064 /nfs/dbraw/zinc/86/20/64/602862064.db2.gz FCUOEPPTBTTYLC-YPMHNXCESA-N -1 0 353.350 -0.035 20 0 FBADRM NC(=O)[C@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)c1ccc(F)cc1 ZINC000740323216 603109927 /nfs/dbraw/zinc/10/99/27/603109927.db2.gz GSQWUTPHWMPVHB-CYBMUJFWSA-N -1 0 353.306 -0.283 20 0 FBADRM NC(=O)[C@@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)c1ccc(F)cc1 ZINC000740323217 603110092 /nfs/dbraw/zinc/11/00/92/603110092.db2.gz GSQWUTPHWMPVHB-ZDUSSCGKSA-N -1 0 353.306 -0.283 20 0 FBADRM NC(=O)[C@@H]1CCC[C@@H](NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000740323532 602909265 /nfs/dbraw/zinc/90/92/65/602909265.db2.gz CBRYJEBFFUFHJJ-GHMZBOCLSA-N -1 0 355.395 -0.848 20 0 FBADRM NC(=O)[C@@H]1CCC[C@H](NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000740323536 602909235 /nfs/dbraw/zinc/90/92/35/602909235.db2.gz CBRYJEBFFUFHJJ-MNOVXSKESA-N -1 0 355.395 -0.848 20 0 FBADRM NC(=O)[C@H]1CCC[C@H](NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000740323539 602909375 /nfs/dbraw/zinc/90/93/75/602909375.db2.gz CBRYJEBFFUFHJJ-QWRGUYRKSA-N -1 0 355.395 -0.848 20 0 FBADRM NC(=O)[C@H]1CCC[C@@H](NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000740323545 602909306 /nfs/dbraw/zinc/90/93/06/602909306.db2.gz CBRYJEBFFUFHJJ-WDEREUQCSA-N -1 0 355.395 -0.848 20 0 FBADRM NC(=O)[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])Cc1ccc(F)cc1 ZINC000740324325 603074107 /nfs/dbraw/zinc/07/41/07/603074107.db2.gz LZVQJCQPOFIHNJ-CYZMBNFOSA-N -1 0 353.350 -0.301 20 0 FBADRM NC(=O)[C@H](CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])Cc1ccc(F)cc1 ZINC000740324326 603074380 /nfs/dbraw/zinc/07/43/80/603074380.db2.gz LZVQJCQPOFIHNJ-DRZSPHRISA-N -1 0 353.350 -0.301 20 0 FBADRM NC(=O)[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])Cc1ccc(F)cc1 ZINC000740324327 603074061 /nfs/dbraw/zinc/07/40/61/603074061.db2.gz LZVQJCQPOFIHNJ-UHTWSYAYSA-N -1 0 353.350 -0.301 20 0 FBADRM NC(=O)[C@H](CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])Cc1ccc(F)cc1 ZINC000740324328 603074402 /nfs/dbraw/zinc/07/44/02/603074402.db2.gz LZVQJCQPOFIHNJ-WCFLWFBJSA-N -1 0 353.350 -0.301 20 0 FBADRM NC(=O)C1(C(=O)Nc2cccc(S(=O)(=O)NCCNC(=O)[O-])c2)CC1 ZINC000740324584 602724476 /nfs/dbraw/zinc/72/44/76/602724476.db2.gz GZNXNNDPMZXJGC-UHFFFAOYSA-N -1 0 370.387 -0.564 20 0 FBADRM NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000740324760 602659472 /nfs/dbraw/zinc/65/94/72/602659472.db2.gz PHZWEOOOSKNGLH-HNNXBMFYSA-N -1 0 364.402 -0.359 20 0 FBADRM NC(=O)C1(C(=O)N2CCC[C@@H](C(=O)N3CCN(C(=O)[O-])CC3)C2)CC1 ZINC000740324763 602723835 /nfs/dbraw/zinc/72/38/35/602723835.db2.gz IGSSZUNAWDZCAL-LLVKDONJSA-N -1 0 352.391 -0.687 20 0 FBADRM NC(=O)C1(C(=O)N2CCC[C@H](C(=O)N3CCN(C(=O)[O-])CC3)C2)CC1 ZINC000740324764 602723908 /nfs/dbraw/zinc/72/39/08/602723908.db2.gz IGSSZUNAWDZCAL-NSHDSACASA-N -1 0 352.391 -0.687 20 0 FBADRM NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000740324774 602659383 /nfs/dbraw/zinc/65/93/83/602659383.db2.gz PHZWEOOOSKNGLH-OAHLLOKOSA-N -1 0 364.402 -0.359 20 0 FBADRM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1csc(CNC(=O)[O-])n1 ZINC000740325113 602722542 /nfs/dbraw/zinc/72/25/42/602722542.db2.gz LYQDORDYKRCAJX-SECBINFHSA-N -1 0 370.387 -0.066 20 0 FBADRM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1csc(CNC(=O)[O-])n1 ZINC000740325115 602722525 /nfs/dbraw/zinc/72/25/25/602722525.db2.gz LYQDORDYKRCAJX-VIFPVBQESA-N -1 0 370.387 -0.066 20 0 FBADRM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(OCCNC(=O)[O-])c2)C1 ZINC000740326078 602290829 /nfs/dbraw/zinc/29/08/29/602290829.db2.gz AOEAIPLCOINDJD-JTQLQIEISA-N -1 0 364.358 -0.395 20 0 FBADRM NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(OCCNC(=O)[O-])c2)C1 ZINC000740326080 602290747 /nfs/dbraw/zinc/29/07/47/602290747.db2.gz AOEAIPLCOINDJD-SNVBAGLBSA-N -1 0 364.358 -0.395 20 0 FBADRM NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)C1 ZINC000740326101 603314036 /nfs/dbraw/zinc/31/40/36/603314036.db2.gz AVJCOSPJLMRVHO-LLVKDONJSA-N -1 0 360.370 -0.005 20 0 FBADRM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)C1 ZINC000740326103 603313928 /nfs/dbraw/zinc/31/39/28/603313928.db2.gz AVJCOSPJLMRVHO-NSHDSACASA-N -1 0 360.370 -0.005 20 0 FBADRM NC(=O)[C@@H]1Cc2ccccc2N(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000740326767 603001614 /nfs/dbraw/zinc/00/16/14/603001614.db2.gz IQYWDIJIWBLCIT-GFCCVEGCSA-N -1 0 360.370 -0.501 20 0 FBADRM NC(=O)[C@H]1Cc2ccccc2N(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000740326768 603001890 /nfs/dbraw/zinc/00/18/90/603001890.db2.gz IQYWDIJIWBLCIT-LBPRGKRZSA-N -1 0 360.370 -0.501 20 0 FBADRM NC(=O)CCN(Cc1ccccc1)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740327592 602986955 /nfs/dbraw/zinc/98/69/55/602986955.db2.gz DRQRNTNLFJFYJW-UHFFFAOYSA-N -1 0 362.386 -0.287 20 0 FBADRM NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)C1 ZINC000740327708 602643301 /nfs/dbraw/zinc/64/33/01/602643301.db2.gz OPMRLIRJBDCLRK-LLVKDONJSA-N -1 0 360.370 -0.005 20 0 FBADRM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)C1 ZINC000740327709 602643122 /nfs/dbraw/zinc/64/31/22/602643122.db2.gz OPMRLIRJBDCLRK-NSHDSACASA-N -1 0 360.370 -0.005 20 0 FBADRM NC(=O)CCNC(=O)c1cccc(NC(=O)[C@H]2COCCN2C(=O)[O-])c1 ZINC000740327766 602887263 /nfs/dbraw/zinc/88/72/63/602887263.db2.gz GVKRYXNNECQZKN-GFCCVEGCSA-N -1 0 364.358 -0.391 20 0 FBADRM NC(=O)CCNC(=O)c1cccc(NC(=O)[C@@H]2COCCN2C(=O)[O-])c1 ZINC000740327767 602887183 /nfs/dbraw/zinc/88/71/83/602887183.db2.gz GVKRYXNNECQZKN-LBPRGKRZSA-N -1 0 364.358 -0.391 20 0 FBADRM NC(=O)CCOc1ccccc1NC(=O)C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000740327794 605119552 /nfs/dbraw/zinc/11/95/52/605119552.db2.gz HYKYXSJHNDPPQZ-JTQLQIEISA-N -1 0 364.358 -0.252 20 0 FBADRM NC(=O)CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000740327795 604569632 /nfs/dbraw/zinc/56/96/32/604569632.db2.gz HYKYXSJHNDPPQZ-SNVBAGLBSA-N -1 0 364.358 -0.252 20 0 FBADRM NC(=O)C1CCN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)CC1 ZINC000740328102 603047379 /nfs/dbraw/zinc/04/73/79/603047379.db2.gz PCFMEBUGNANSMP-UHFFFAOYSA-N -1 0 353.379 -0.794 20 0 FBADRM NC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc(NC(=O)[O-])ccc2F)CCO1 ZINC000740328628 603404377 /nfs/dbraw/zinc/40/43/77/603404377.db2.gz SKPSEQCCBWJNEE-JTQLQIEISA-N -1 0 354.294 -0.433 20 0 FBADRM NC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(NC(=O)[O-])ccc2F)CCO1 ZINC000740328631 603404437 /nfs/dbraw/zinc/40/44/37/603404437.db2.gz SKPSEQCCBWJNEE-SNVBAGLBSA-N -1 0 354.294 -0.433 20 0 FBADRM NC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])CCO1 ZINC000740328676 602288109 /nfs/dbraw/zinc/28/81/09/602288109.db2.gz STMKIHVFVGIQQS-GFCCVEGCSA-N -1 0 362.342 -0.622 20 0 FBADRM NC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])CCO1 ZINC000740328682 602288112 /nfs/dbraw/zinc/28/81/12/602288112.db2.gz STMKIHVFVGIQQS-LBPRGKRZSA-N -1 0 362.342 -0.622 20 0 FBADRM NC(=O)[C@H]1CCCN(C(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)C1 ZINC000740329246 602408320 /nfs/dbraw/zinc/40/83/20/602408320.db2.gz ULPOBQZWZCOZDC-JTQLQIEISA-N -1 0 350.379 -0.070 20 0 FBADRM NC(=O)[C@@H]1CCCN(C(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)C1 ZINC000740329247 602408488 /nfs/dbraw/zinc/40/84/88/602408488.db2.gz ULPOBQZWZCOZDC-SNVBAGLBSA-N -1 0 350.379 -0.070 20 0 FBADRM NC(=O)[C@H]1CN(C(=O)NCc2ccc(CCNC(=O)[O-])cc2)CCO1 ZINC000740329298 602187150 /nfs/dbraw/zinc/18/71/50/602187150.db2.gz VTRLHEJGSRPNLQ-CYBMUJFWSA-N -1 0 350.375 -0.108 20 0 FBADRM NC(=O)[C@@H]1CN(C(=O)NCc2ccc(CCNC(=O)[O-])cc2)CCO1 ZINC000740329299 602187448 /nfs/dbraw/zinc/18/74/48/602187448.db2.gz VTRLHEJGSRPNLQ-ZDUSSCGKSA-N -1 0 350.375 -0.108 20 0 FBADRM NC(=O)[C@@H]1c2ccccc2CCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740329397 603026996 /nfs/dbraw/zinc/02/69/96/603026996.db2.gz RZBWPIVNKUVWSO-HNNXBMFYSA-N -1 0 360.370 -0.580 20 0 FBADRM NC(=O)[C@H]1c2ccccc2CCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740329398 603026837 /nfs/dbraw/zinc/02/68/37/603026837.db2.gz RZBWPIVNKUVWSO-OAHLLOKOSA-N -1 0 360.370 -0.580 20 0 FBADRM NC(=O)COc1ccc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000740329422 605112695 /nfs/dbraw/zinc/11/26/95/605112695.db2.gz AFHDNVKEAPLQFE-JTQLQIEISA-N -1 0 350.331 -0.642 20 0 FBADRM NC(=O)COc1ccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000740329424 604569426 /nfs/dbraw/zinc/56/94/26/604569426.db2.gz AFHDNVKEAPLQFE-SNVBAGLBSA-N -1 0 350.331 -0.642 20 0 FBADRM NC(=O)C1CCN(c2ncccc2CNC(=O)NCCNC(=O)[O-])CC1 ZINC000740329660 602442213 /nfs/dbraw/zinc/44/22/13/602442213.db2.gz XJLCMPVZJXBUJS-UHFFFAOYSA-N -1 0 364.406 -0.150 20 0 FBADRM NC(=O)[C@H]1CN(C(=O)NCCCN(Cc2cccnc2)C(=O)[O-])CCO1 ZINC000740329705 602636702 /nfs/dbraw/zinc/63/67/02/602636702.db2.gz YUAFUHVQBOPSBH-CYBMUJFWSA-N -1 0 365.390 -0.153 20 0 FBADRM NC(=O)[C@@H]1CN(C(=O)NCCCN(Cc2cccnc2)C(=O)[O-])CCO1 ZINC000740329706 602636804 /nfs/dbraw/zinc/63/68/04/602636804.db2.gz YUAFUHVQBOPSBH-ZDUSSCGKSA-N -1 0 365.390 -0.153 20 0 FBADRM NC(=O)CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000740329807 602647918 /nfs/dbraw/zinc/64/79/18/602647918.db2.gz TYOLWFLNOIALHD-JTQLQIEISA-N -1 0 364.358 -0.252 20 0 FBADRM NC(=O)CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000740329809 602647950 /nfs/dbraw/zinc/64/79/50/602647950.db2.gz TYOLWFLNOIALHD-SNVBAGLBSA-N -1 0 364.358 -0.252 20 0 FBADRM NC(=O)CCOc1ccccc1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740329926 602993792 /nfs/dbraw/zinc/99/37/92/602993792.db2.gz WIQCLDPIDCPEGR-UHFFFAOYSA-N -1 0 364.358 -0.299 20 0 FBADRM NC(=O)CCOc1ccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000740330187 603017365 /nfs/dbraw/zinc/01/73/65/603017365.db2.gz YCCKQHMBBMOVJE-UHFFFAOYSA-N -1 0 364.358 -0.299 20 0 FBADRM NC(=O)CC1CCN(C(=O)CCNC(=O)[C@H]2CCCN2C(=O)[O-])CC1 ZINC000740330240 602326574 /nfs/dbraw/zinc/32/65/74/602326574.db2.gz ZMZYXTYSHYZLGR-GFCCVEGCSA-N -1 0 354.407 -0.251 20 0 FBADRM NC(=O)CC1CCN(C(=O)CCNC(=O)[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000740330241 602326560 /nfs/dbraw/zinc/32/65/60/602326560.db2.gz ZMZYXTYSHYZLGR-LBPRGKRZSA-N -1 0 354.407 -0.251 20 0 FBADRM NC(=O)CN1CCC(NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC000740330290 596960092 /nfs/dbraw/zinc/96/00/92/596960092.db2.gz AIZWVYVJQUYSRF-HNNXBMFYSA-N -1 0 373.413 -0.228 20 0 FBADRM NC(=O)CN1CCC(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CC1 ZINC000740330294 596959895 /nfs/dbraw/zinc/95/98/95/596959895.db2.gz AIZWVYVJQUYSRF-OAHLLOKOSA-N -1 0 373.413 -0.228 20 0 FBADRM NC(=O)COc1cccc(COC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000740330348 603106911 /nfs/dbraw/zinc/10/69/11/603106911.db2.gz CRFXCFFVTYHMOR-UHFFFAOYSA-N -1 0 365.342 -0.584 20 0 FBADRM NC(=O)Cn1cc(NC(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cn1 ZINC000740330351 602286608 /nfs/dbraw/zinc/28/66/08/602286608.db2.gz CTTYVVRTXAUFQN-UHFFFAOYSA-N -1 0 372.341 -0.014 20 0 FBADRM NC(=O)COc1ccc(NC(=O)C(=O)N2CC[C@@H](CNC(=O)[O-])C2)cc1 ZINC000740330492 602206162 /nfs/dbraw/zinc/20/61/62/602206162.db2.gz DVLNERCHCZSICN-JTQLQIEISA-N -1 0 364.358 -0.395 20 0 FBADRM NC(=O)COc1ccc(NC(=O)C(=O)N2CC[C@H](CNC(=O)[O-])C2)cc1 ZINC000740330494 602206125 /nfs/dbraw/zinc/20/61/25/602206125.db2.gz DVLNERCHCZSICN-SNVBAGLBSA-N -1 0 364.358 -0.395 20 0 FBADRM NC(=O)COc1cccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000740330564 602988307 /nfs/dbraw/zinc/98/83/07/602988307.db2.gz FZZCRLGTDPPGEP-UHFFFAOYSA-N -1 0 350.331 -0.689 20 0 FBADRM NC(=O)c1ccc(CN2CCN(C(=O)COCCNC(=O)[O-])CC2)cc1 ZINC000740330631 602661128 /nfs/dbraw/zinc/66/11/28/602661128.db2.gz DLAQPKCWUPVZJN-UHFFFAOYSA-N -1 0 364.402 -0.286 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)NCCCNC(=O)[O-])CC2)nc1 ZINC000740330635 602403690 /nfs/dbraw/zinc/40/36/90/602403690.db2.gz DNHVABLXZMVGMR-UHFFFAOYSA-N -1 0 350.379 -0.330 20 0 FBADRM NC(=O)Cn1cc(NC(=O)C(=O)NCC2(NC(=O)[O-])CCCCC2)cn1 ZINC000740330642 602189638 /nfs/dbraw/zinc/18/96/38/602189638.db2.gz GQHVWPAEJVZBJM-UHFFFAOYSA-N -1 0 366.378 -0.606 20 0 FBADRM NC(=O)COc1cccc(NC(=O)C(=O)NC[C@H]2CCCN2C(=O)[O-])c1 ZINC000740331019 602618981 /nfs/dbraw/zinc/61/89/81/602618981.db2.gz KNEHCLYNPMUQQT-LLVKDONJSA-N -1 0 364.358 -0.252 20 0 FBADRM NC(=O)COc1cccc(NC(=O)C(=O)NC[C@@H]2CCCN2C(=O)[O-])c1 ZINC000740331021 602619061 /nfs/dbraw/zinc/61/90/61/602619061.db2.gz KNEHCLYNPMUQQT-NSHDSACASA-N -1 0 364.358 -0.252 20 0 FBADRM NC(=O)COc1ccc(CNC(=O)CN2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000740331377 604433171 /nfs/dbraw/zinc/43/31/71/604433171.db2.gz MZASFJQSCMCOJS-GFCCVEGCSA-N -1 0 350.375 -0.491 20 0 FBADRM NC(=O)COc1ccc(CNC(=O)CN2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000740331380 605936896 /nfs/dbraw/zinc/93/68/96/605936896.db2.gz MZASFJQSCMCOJS-LBPRGKRZSA-N -1 0 350.375 -0.491 20 0 FBADRM NC(=O)Cn1cc(NC(=O)C(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000740331390 602658589 /nfs/dbraw/zinc/65/85/89/602658589.db2.gz NABURJKLXJMDFV-JTQLQIEISA-N -1 0 366.378 -0.797 20 0 FBADRM NC(=O)Cn1cc(NC(=O)C(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000740331393 602658579 /nfs/dbraw/zinc/65/85/79/602658579.db2.gz NABURJKLXJMDFV-SNVBAGLBSA-N -1 0 366.378 -0.797 20 0 FBADRM NC(=O)c1ccc(F)c(NC(=O)C(=O)N2CC[C@H](CNC(=O)[O-])C2)c1 ZINC000740331415 602204369 /nfs/dbraw/zinc/20/43/69/602204369.db2.gz LDAZIJFOCPVOGK-MRVPVSSYSA-N -1 0 352.322 -0.021 20 0 FBADRM NC(=O)c1ccc(F)c(NC(=O)C(=O)N2CC[C@@H](CNC(=O)[O-])C2)c1 ZINC000740331418 602204385 /nfs/dbraw/zinc/20/43/85/602204385.db2.gz LDAZIJFOCPVOGK-QMMMGPOBSA-N -1 0 352.322 -0.021 20 0 FBADRM NC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](CNC(=O)[O-])C2)cc1F ZINC000740331784 602302377 /nfs/dbraw/zinc/30/23/77/602302377.db2.gz MXXJXMDWZXMBBT-MRVPVSSYSA-N -1 0 352.322 -0.021 20 0 FBADRM NC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](CNC(=O)[O-])C2)cc1F ZINC000740331787 602302449 /nfs/dbraw/zinc/30/24/49/602302449.db2.gz MXXJXMDWZXMBBT-QMMMGPOBSA-N -1 0 352.322 -0.021 20 0 FBADRM NC(=O)COc1ccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000740331913 602648621 /nfs/dbraw/zinc/64/86/21/602648621.db2.gz RNTNDEQQXREECW-JTQLQIEISA-N -1 0 350.331 -0.642 20 0 FBADRM NC(=O)COc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000740331914 602648660 /nfs/dbraw/zinc/64/86/60/602648660.db2.gz RNTNDEQQXREECW-SNVBAGLBSA-N -1 0 350.331 -0.642 20 0 FBADRM NC(=O)COc1ccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000740331919 602990222 /nfs/dbraw/zinc/99/02/22/602990222.db2.gz RPIGHWGDMVTGBV-UHFFFAOYSA-N -1 0 350.331 -0.689 20 0 FBADRM NC(=O)COc1cccc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)c1 ZINC000740331936 605119259 /nfs/dbraw/zinc/11/92/59/605119259.db2.gz SEWCUIWUFHLMEC-JTQLQIEISA-N -1 0 350.331 -0.642 20 0 FBADRM NC(=O)COc1cccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000740331937 604569833 /nfs/dbraw/zinc/56/98/33/604569833.db2.gz SEWCUIWUFHLMEC-SNVBAGLBSA-N -1 0 350.331 -0.642 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)COCCNC(=O)[O-])CC2)nc1 ZINC000740332004 602673896 /nfs/dbraw/zinc/67/38/96/602673896.db2.gz PAYLLMAUDPNDJP-UHFFFAOYSA-N -1 0 351.363 -0.887 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)N[C@@H]3CCN(C(=O)[O-])C3)CC2)nc1 ZINC000740332024 602582634 /nfs/dbraw/zinc/58/26/34/602582634.db2.gz PDGYTOAUKQGWRH-GFCCVEGCSA-N -1 0 362.390 -0.236 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)N[C@H]3CCN(C(=O)[O-])C3)CC2)nc1 ZINC000740332026 602582733 /nfs/dbraw/zinc/58/27/33/602582733.db2.gz PDGYTOAUKQGWRH-LBPRGKRZSA-N -1 0 362.390 -0.236 20 0 FBADRM NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)COCCNC(=O)[O-] ZINC000740332260 602673946 /nfs/dbraw/zinc/67/39/46/602673946.db2.gz BERHRRKMURVPJW-JTQLQIEISA-N -1 0 352.347 -0.336 20 0 FBADRM NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)COCCNC(=O)[O-] ZINC000740332264 602673848 /nfs/dbraw/zinc/67/38/48/602673848.db2.gz BERHRRKMURVPJW-SNVBAGLBSA-N -1 0 352.347 -0.336 20 0 FBADRM NC(=O)COc1ccc(OC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000740332273 603009464 /nfs/dbraw/zinc/00/94/64/603009464.db2.gz UDOGDLMKUWWMEE-UHFFFAOYSA-N -1 0 351.315 -0.722 20 0 FBADRM NC(=O)COc1cccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000740332345 602649196 /nfs/dbraw/zinc/64/91/96/602649196.db2.gz VAXTVZWOZQXVDN-JTQLQIEISA-N -1 0 350.331 -0.642 20 0 FBADRM NC(=O)COc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000740332346 602649391 /nfs/dbraw/zinc/64/93/91/602649391.db2.gz VAXTVZWOZQXVDN-SNVBAGLBSA-N -1 0 350.331 -0.642 20 0 FBADRM NC(=O)COc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2C(=O)[O-])cc1 ZINC000740332368 602620683 /nfs/dbraw/zinc/62/06/83/602620683.db2.gz VICBANHCZNRIIM-LLVKDONJSA-N -1 0 364.358 -0.252 20 0 FBADRM NC(=O)COc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000740332371 602620798 /nfs/dbraw/zinc/62/07/98/602620798.db2.gz VICBANHCZNRIIM-NSHDSACASA-N -1 0 364.358 -0.252 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)COCCNC(=O)[O-])CC2)cc1 ZINC000740332515 603017575 /nfs/dbraw/zinc/01/75/75/603017575.db2.gz SPGSZVXDBFKOLD-UHFFFAOYSA-N -1 0 350.375 -0.282 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)[C@@H]3COCCN3C(=O)[O-])CC2)cc1 ZINC000740332749 602913094 /nfs/dbraw/zinc/91/30/94/602913094.db2.gz UFASZEFDISTRLD-AWEZNQCLSA-N -1 0 362.386 -0.187 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)[C@H]3COCCN3C(=O)[O-])CC2)cc1 ZINC000740332751 602912929 /nfs/dbraw/zinc/91/29/29/602912929.db2.gz UFASZEFDISTRLD-CQSZACIVSA-N -1 0 362.386 -0.187 20 0 FBADRM NC(=O)COc1cccc(NC(=O)C(=O)N2CC[C@@H](CNC(=O)[O-])C2)c1 ZINC000740332894 602207021 /nfs/dbraw/zinc/20/70/21/602207021.db2.gz YEMHBVWQLFIRPY-JTQLQIEISA-N -1 0 364.358 -0.395 20 0 FBADRM NC(=O)COc1cccc(NC(=O)C(=O)N2CC[C@H](CNC(=O)[O-])C2)c1 ZINC000740332897 602207032 /nfs/dbraw/zinc/20/70/32/602207032.db2.gz YEMHBVWQLFIRPY-SNVBAGLBSA-N -1 0 364.358 -0.395 20 0 FBADRM NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740333116 603013821 /nfs/dbraw/zinc/01/38/21/603013821.db2.gz OMDRJTOQJKTWEL-ZDUSSCGKSA-N -1 0 360.370 -0.753 20 0 FBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])cc1 ZINC000740333183 603025512 /nfs/dbraw/zinc/02/55/12/603025512.db2.gz CFJLAOJUBACWGE-CHWSQXEVSA-N -1 0 362.386 -0.046 20 0 FBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])cc1 ZINC000740333184 603025216 /nfs/dbraw/zinc/02/52/16/603025216.db2.gz CFJLAOJUBACWGE-OLZOCXBDSA-N -1 0 362.386 -0.046 20 0 FBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])cc1 ZINC000740333185 603025478 /nfs/dbraw/zinc/02/54/78/603025478.db2.gz CFJLAOJUBACWGE-QWHCGFSZSA-N -1 0 362.386 -0.046 20 0 FBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])cc1 ZINC000740333186 603025404 /nfs/dbraw/zinc/02/54/04/603025404.db2.gz CFJLAOJUBACWGE-STQMWFEESA-N -1 0 362.386 -0.046 20 0 FBADRM NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@H]3COCCN3C(=O)[O-])C2)n[nH]1 ZINC000740333404 603083759 /nfs/dbraw/zinc/08/37/59/603083759.db2.gz JZRGDDKZRHUPHJ-BXKDBHETSA-N -1 0 351.363 -0.407 20 0 FBADRM NC(=O)c1cc([C@H]2CCCN(C(=O)[C@@H]3COCCN3C(=O)[O-])C2)n[nH]1 ZINC000740333412 603083546 /nfs/dbraw/zinc/08/35/46/603083546.db2.gz JZRGDDKZRHUPHJ-CABZTGNLSA-N -1 0 351.363 -0.407 20 0 FBADRM NC(=O)c1cc([C@H]2CCCN(C(=O)[C@H]3COCCN3C(=O)[O-])C2)n[nH]1 ZINC000740333413 603083676 /nfs/dbraw/zinc/08/36/76/603083676.db2.gz JZRGDDKZRHUPHJ-JOYOIKCWSA-N -1 0 351.363 -0.407 20 0 FBADRM NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@@H]3COCCN3C(=O)[O-])C2)n[nH]1 ZINC000740333414 603083715 /nfs/dbraw/zinc/08/37/15/603083715.db2.gz JZRGDDKZRHUPHJ-SKDRFNHKSA-N -1 0 351.363 -0.407 20 0 FBADRM NC(=O)CN1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC000740334133 596966411 /nfs/dbraw/zinc/96/64/11/596966411.db2.gz JZOPCDDRAZBVNP-AWEZNQCLSA-N -1 0 359.386 -0.665 20 0 FBADRM NC(=O)CN1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CC1 ZINC000740334136 596966383 /nfs/dbraw/zinc/96/63/83/596966383.db2.gz JZOPCDDRAZBVNP-CQSZACIVSA-N -1 0 359.386 -0.665 20 0 FBADRM NC(=O)CN1CCCN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC000740334161 596961518 /nfs/dbraw/zinc/96/15/18/596961518.db2.gz KLPRFCMYBHLOHQ-HNNXBMFYSA-N -1 0 373.413 -0.275 20 0 FBADRM NC(=O)CN1CCCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CC1 ZINC000740334164 596961458 /nfs/dbraw/zinc/96/14/58/596961458.db2.gz KLPRFCMYBHLOHQ-OAHLLOKOSA-N -1 0 373.413 -0.275 20 0 FBADRM NC(=O)CNC(=O)c1ccc(NC(=O)[C@H]2CSCN2C(=O)[O-])cc1 ZINC000740334216 601936854 /nfs/dbraw/zinc/93/68/54/601936854.db2.gz LKWSUIGECCUGRB-SNVBAGLBSA-N -1 0 352.372 -0.107 20 0 FBADRM NC(=O)CNC(=O)c1ccc(NC(=O)[C@H]2COCCN2C(=O)[O-])cc1 ZINC000740334477 602872436 /nfs/dbraw/zinc/87/24/36/602872436.db2.gz NXTZCMBOQKKLGX-LLVKDONJSA-N -1 0 350.331 -0.781 20 0 FBADRM NC(=O)CNC(=O)c1ccc(NC(=O)[C@@H]2COCCN2C(=O)[O-])cc1 ZINC000740334478 602872130 /nfs/dbraw/zinc/87/21/30/602872130.db2.gz NXTZCMBOQKKLGX-NSHDSACASA-N -1 0 350.331 -0.781 20 0 FBADRM NC(=O)CN1CCC(NC(=O)C2(NC(=O)[O-])Cc3ccccc3C2)CC1 ZINC000740334487 603111115 /nfs/dbraw/zinc/11/11/15/603111115.db2.gz OEUMNZYAHHJPTP-UHFFFAOYSA-N -1 0 360.414 -0.143 20 0 FBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)[C@H]2CSCN2C(=O)[O-])cc1 ZINC000740334662 601858806 /nfs/dbraw/zinc/85/88/06/601858806.db2.gz QGISKSMIIHWMCY-LLVKDONJSA-N -1 0 366.399 -0.429 20 0 FBADRM NC(=O)CNC(=O)c1cccc(NC(=O)[C@H]2CSCN2C(=O)[O-])c1 ZINC000740334787 602394198 /nfs/dbraw/zinc/39/41/98/602394198.db2.gz UBMLBAJRMIDDCL-SNVBAGLBSA-N -1 0 352.372 -0.107 20 0 FBADRM NC(=O)c1cccnc1N1CCN(C(=O)NCCCNC(=O)[O-])CC1 ZINC000740334827 603361251 /nfs/dbraw/zinc/36/12/51/603361251.db2.gz DTQJNJVIRDHIBS-UHFFFAOYSA-N -1 0 350.379 -0.330 20 0 FBADRM NC(=O)c1cc(NC(=O)C(=O)N2CC[C@H](CNC(=O)[O-])C2)ccc1F ZINC000740334885 602205943 /nfs/dbraw/zinc/20/59/43/602205943.db2.gz YPKUHWHQWLOJEQ-MRVPVSSYSA-N -1 0 352.322 -0.021 20 0 FBADRM NC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](CNC(=O)[O-])C2)ccc1F ZINC000740334886 602206015 /nfs/dbraw/zinc/20/60/15/602206015.db2.gz YPKUHWHQWLOJEQ-QMMMGPOBSA-N -1 0 352.322 -0.021 20 0 FBADRM NC(=O)CNC(=O)c1cccc(NC(=O)[C@H]2COCCN2C(=O)[O-])c1 ZINC000740334944 602845918 /nfs/dbraw/zinc/84/59/18/602845918.db2.gz USEQEJHQRVLBAA-LLVKDONJSA-N -1 0 350.331 -0.781 20 0 FBADRM NC(=O)CNC(=O)c1cccc(NC(=O)[C@@H]2COCCN2C(=O)[O-])c1 ZINC000740334945 602846115 /nfs/dbraw/zinc/84/61/15/602846115.db2.gz USEQEJHQRVLBAA-NSHDSACASA-N -1 0 350.331 -0.781 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000740335062 602901938 /nfs/dbraw/zinc/90/19/38/602901938.db2.gz FZXABUQBJUJCOQ-BXUZGUMPSA-N -1 0 362.386 -0.141 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@H](NC(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000740335063 602902086 /nfs/dbraw/zinc/90/20/86/602902086.db2.gz FZXABUQBJUJCOQ-FZMZJTMJSA-N -1 0 362.386 -0.141 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000740335064 602902021 /nfs/dbraw/zinc/90/20/21/602902021.db2.gz FZXABUQBJUJCOQ-RISCZKNCSA-N -1 0 362.386 -0.141 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@H](NC(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000740335065 602901781 /nfs/dbraw/zinc/90/17/81/602901781.db2.gz FZXABUQBJUJCOQ-SMDDNHRTSA-N -1 0 362.386 -0.141 20 0 FBADRM NC(=O)c1cccnc1N1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000740335286 602870789 /nfs/dbraw/zinc/87/07/89/602870789.db2.gz MBAPMEXRNOQPJA-GFCCVEGCSA-N -1 0 363.374 -0.792 20 0 FBADRM NC(=O)c1cccnc1N1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000740335287 602870871 /nfs/dbraw/zinc/87/08/71/602870871.db2.gz MBAPMEXRNOQPJA-LBPRGKRZSA-N -1 0 363.374 -0.792 20 0 FBADRM NC(=O)c1ccccc1OCCOC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740335292 603146626 /nfs/dbraw/zinc/14/66/26/603146626.db2.gz MJGZPVOSWXLZHX-UHFFFAOYSA-N -1 0 365.342 -0.470 20 0 FBADRM NC(=O)c1cccc2c1CCCN2C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740335332 602991766 /nfs/dbraw/zinc/99/17/66/602991766.db2.gz NFPZURWZHNZXAU-UHFFFAOYSA-N -1 0 360.370 -0.113 20 0 FBADRM NC(=O)c1cccnc1N1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000740335524 602664206 /nfs/dbraw/zinc/66/42/06/602664206.db2.gz RFQYZUXJWQWGJH-UHFFFAOYSA-N -1 0 351.363 -0.887 20 0 FBADRM NC(=O)c1cccc(CCNC(=O)NCCN2CCN(C(=O)[O-])CC2)c1 ZINC000740335573 602282497 /nfs/dbraw/zinc/28/24/97/602282497.db2.gz SRGOIZLGQYZWMB-UHFFFAOYSA-N -1 0 363.418 -0.077 20 0 FBADRM NC(=O)c1cccc(NC(=O)C(=O)NCCN2CCN(C(=O)[O-])CC2)c1 ZINC000740335609 602212019 /nfs/dbraw/zinc/21/20/19/602212019.db2.gz UBCIKVMEGBHYEU-UHFFFAOYSA-N -1 0 363.374 -0.864 20 0 FBADRM NC(=O)c1cccnc1N1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000740335811 601933838 /nfs/dbraw/zinc/93/38/38/601933838.db2.gz WHXVRIMLVPYZNV-LLVKDONJSA-N -1 0 365.415 -0.118 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)COCCNC(=O)[O-])C1 ZINC000740335891 602669399 /nfs/dbraw/zinc/66/93/99/602669399.db2.gz YERWWBTXKNXFFR-LLVKDONJSA-N -1 0 350.375 -0.235 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@H](NC(=O)COCCNC(=O)[O-])C1 ZINC000740335894 602669410 /nfs/dbraw/zinc/66/94/10/602669410.db2.gz YERWWBTXKNXFFR-NSHDSACASA-N -1 0 350.375 -0.235 20 0 FBADRM NC(=O)c1cccnc1N1CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000740336029 603363595 /nfs/dbraw/zinc/36/35/95/603363595.db2.gz ZXQKSNXZRPTECW-LLVKDONJSA-N -1 0 362.390 -0.236 20 0 FBADRM NC(=O)c1cccnc1N1CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000740336030 603363328 /nfs/dbraw/zinc/36/33/28/603363328.db2.gz ZXQKSNXZRPTECW-NSHDSACASA-N -1 0 362.390 -0.236 20 0 FBADRM NC(=O)c1ccc(NC(=S)NCC(=O)N2CCN(C(=O)[O-])CC2)cc1 ZINC000740336315 602234101 /nfs/dbraw/zinc/23/41/01/602234101.db2.gz LOUVPKJCZLTSHW-UHFFFAOYSA-N -1 0 365.415 -0.106 20 0 FBADRM NS(=O)(=O)N1CCc2ccc(NC(=O)COCCNC(=O)[O-])cc21 ZINC000740336640 602661795 /nfs/dbraw/zinc/66/17/95/602661795.db2.gz AQLNIBSQEHMVCW-UHFFFAOYSA-N -1 0 358.376 -0.525 20 0 FBADRM NS(=O)(=O)NC[C@H]1CCCN(C(=O)CC2CCN(C(=O)[O-])CC2)C1 ZINC000740336687 603024056 /nfs/dbraw/zinc/02/40/56/603024056.db2.gz CJCIKRSXWBGZSC-GFCCVEGCSA-N -1 0 362.452 -0.202 20 0 FBADRM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)CC2CCN(C(=O)[O-])CC2)C1 ZINC000740336688 603023986 /nfs/dbraw/zinc/02/39/86/603023986.db2.gz CJCIKRSXWBGZSC-LBPRGKRZSA-N -1 0 362.452 -0.202 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[O-])CC1 ZINC000740336702 602496222 /nfs/dbraw/zinc/49/62/22/602496222.db2.gz CLQZQIIWDXLIAS-SRVKXCTJSA-N -1 0 360.436 -0.355 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)[O-])CC1 ZINC000740336703 602496384 /nfs/dbraw/zinc/49/63/84/602496384.db2.gz CLQZQIIWDXLIAS-TUAOUCFPSA-N -1 0 360.436 -0.355 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)[O-])CC1 ZINC000740336704 602496247 /nfs/dbraw/zinc/49/62/47/602496247.db2.gz CLQZQIIWDXLIAS-UTUOFQBUSA-N -1 0 360.436 -0.355 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)[O-])CC1 ZINC000740336706 602496476 /nfs/dbraw/zinc/49/64/76/602496476.db2.gz CLQZQIIWDXLIAS-WOPDTQHZSA-N -1 0 360.436 -0.355 20 0 FBADRM NS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CSCN2C(=O)[O-])C1 ZINC000740337135 603024287 /nfs/dbraw/zinc/02/42/87/603024287.db2.gz DZKHUEBOBGORJE-BDAKNGLRSA-N -1 0 352.438 -0.929 20 0 FBADRM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC000740337136 603024065 /nfs/dbraw/zinc/02/40/65/603024065.db2.gz DZKHUEBOBGORJE-DTWKUNHWSA-N -1 0 352.438 -0.929 20 0 FBADRM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CSCN2C(=O)[O-])C1 ZINC000740337137 603024221 /nfs/dbraw/zinc/02/42/21/603024221.db2.gz DZKHUEBOBGORJE-IUCAKERBSA-N -1 0 352.438 -0.929 20 0 FBADRM NS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC000740337138 603024230 /nfs/dbraw/zinc/02/42/30/603024230.db2.gz DZKHUEBOBGORJE-RKDXNWHRSA-N -1 0 352.438 -0.929 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)[O-])CC1 ZINC000740337157 602496372 /nfs/dbraw/zinc/49/63/72/602496372.db2.gz FSBAPWUNWQMDFS-CYBMUJFWSA-N -1 0 368.415 -0.561 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)NCC2(NC(=O)[O-])CCCCC2)CC1 ZINC000740337163 601859839 /nfs/dbraw/zinc/85/98/39/601859839.db2.gz GEJHZWHHPIJWKX-UHFFFAOYSA-N -1 0 362.452 -0.011 20 0 FBADRM NC(=O)c1ccc(NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)cc1F ZINC000740337613 602605311 /nfs/dbraw/zinc/60/53/11/602605311.db2.gz SASMNXFDAJMKLT-UHFFFAOYSA-N -1 0 367.337 -0.132 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])CC1 ZINC000740337739 602496281 /nfs/dbraw/zinc/49/62/81/602496281.db2.gz IPPRKTCERRCUDW-GFCCVEGCSA-N -1 0 356.404 -0.787 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[O-])CC1 ZINC000740337740 602496187 /nfs/dbraw/zinc/49/61/87/602496187.db2.gz IPPRKTCERRCUDW-LBPRGKRZSA-N -1 0 356.404 -0.787 20 0 FBADRM NS(=O)(=O)Cc1cccc(CNC(=O)[C@H]2COCCN2C(=O)[O-])c1 ZINC000740337755 602883377 /nfs/dbraw/zinc/88/33/77/602883377.db2.gz JFMUSDTWPWBGBX-GFCCVEGCSA-N -1 0 357.388 -0.530 20 0 FBADRM NS(=O)(=O)Cc1cccc(CNC(=O)[C@@H]2COCCN2C(=O)[O-])c1 ZINC000740337756 602883333 /nfs/dbraw/zinc/88/33/33/602883333.db2.gz JFMUSDTWPWBGBX-LBPRGKRZSA-N -1 0 357.388 -0.530 20 0 FBADRM NS(=O)(=O)Cc1ccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000740337809 603015953 /nfs/dbraw/zinc/01/59/53/603015953.db2.gz KXVKPSLTPNQQSC-UHFFFAOYSA-N -1 0 370.387 -0.764 20 0 FBADRM NS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000740338226 603016088 /nfs/dbraw/zinc/01/60/88/603016088.db2.gz LXDPUEBMXPKZMT-UHFFFAOYSA-N -1 0 371.375 -0.937 20 0 FBADRM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)C2CCC(NC(=O)[O-])CC2)C1 ZINC000740338239 603024025 /nfs/dbraw/zinc/02/40/25/603024025.db2.gz MLTYTNYDSABPNL-UNXYVOJBSA-N -1 0 362.452 -0.156 20 0 FBADRM NS(=O)(=O)NC[C@H]1CCCN(C(=O)C2CCC(NC(=O)[O-])CC2)C1 ZINC000740338240 603024217 /nfs/dbraw/zinc/02/42/17/603024217.db2.gz MLTYTNYDSABPNL-VOMCLLRMSA-N -1 0 362.452 -0.156 20 0 FBADRM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)C1 ZINC000740338264 603242084 /nfs/dbraw/zinc/24/20/84/603242084.db2.gz NDYRWMBUQWQAPY-QJPTWQEYSA-N -1 0 362.452 -0.156 20 0 FBADRM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)C1 ZINC000740338265 603242401 /nfs/dbraw/zinc/24/24/01/603242401.db2.gz NDYRWMBUQWQAPY-SDDRHHMPSA-N -1 0 362.452 -0.156 20 0 FBADRM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)C1 ZINC000740338266 603242049 /nfs/dbraw/zinc/24/20/49/603242049.db2.gz NDYRWMBUQWQAPY-SRVKXCTJSA-N -1 0 362.452 -0.156 20 0 FBADRM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)C1 ZINC000740338267 603242133 /nfs/dbraw/zinc/24/21/33/603242133.db2.gz NDYRWMBUQWQAPY-TUAOUCFPSA-N -1 0 362.452 -0.156 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])CC1 ZINC000740338278 602994817 /nfs/dbraw/zinc/99/48/17/602994817.db2.gz NSCLGLKQASXGLT-NEPJUHHUSA-N -1 0 362.452 -0.156 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])CC1 ZINC000740338279 602994825 /nfs/dbraw/zinc/99/48/25/602994825.db2.gz NSCLGLKQASXGLT-NWDGAFQWSA-N -1 0 362.452 -0.156 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])CC1 ZINC000740338280 602994966 /nfs/dbraw/zinc/99/49/66/602994966.db2.gz NSCLGLKQASXGLT-RYUDHWBXSA-N -1 0 362.452 -0.156 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])CC1 ZINC000740338281 602994900 /nfs/dbraw/zinc/99/49/00/602994900.db2.gz NSCLGLKQASXGLT-VXGBXAGGSA-N -1 0 362.452 -0.156 20 0 FBADRM NS(=O)(=O)N1CCc2ccc(NC(=O)[C@H]3COCCN3C(=O)[O-])cc21 ZINC000740338282 602855532 /nfs/dbraw/zinc/85/55/32/602855532.db2.gz NSVMFDWRVKJOFT-GFCCVEGCSA-N -1 0 370.387 -0.430 20 0 FBADRM NS(=O)(=O)N1CCc2ccc(NC(=O)[C@@H]3COCCN3C(=O)[O-])cc21 ZINC000740338283 602855434 /nfs/dbraw/zinc/85/54/34/602855434.db2.gz NSVMFDWRVKJOFT-LBPRGKRZSA-N -1 0 370.387 -0.430 20 0 FBADRM NS(=O)(=O)NC[C@H]1CCCN(C(=O)C2(NC(=O)[O-])CCCCC2)C1 ZINC000740338317 603023883 /nfs/dbraw/zinc/02/38/83/603023883.db2.gz OVTFPSFMXKIBPH-LLVKDONJSA-N -1 0 362.452 -0.011 20 0 FBADRM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)C2(NC(=O)[O-])CCCCC2)C1 ZINC000740338318 603024202 /nfs/dbraw/zinc/02/42/02/603024202.db2.gz OVTFPSFMXKIBPH-NSHDSACASA-N -1 0 362.452 -0.011 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000740338553 602644505 /nfs/dbraw/zinc/64/45/05/602644505.db2.gz PKOFAVTUUUMNTF-LLVKDONJSA-N -1 0 362.452 -0.202 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000740338555 602644389 /nfs/dbraw/zinc/64/43/89/602644389.db2.gz PKOFAVTUUUMNTF-NSHDSACASA-N -1 0 362.452 -0.202 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])CC1 ZINC000740339023 603013251 /nfs/dbraw/zinc/01/32/51/603013251.db2.gz WEEWQMHNKOGUMA-YOGCLGLASA-N -1 0 360.436 -0.309 20 0 FBADRM NS(=O)(=O)Cc1cccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000740339278 603021816 /nfs/dbraw/zinc/02/18/16/603021816.db2.gz XRRRGWQXUZBKEL-UHFFFAOYSA-N -1 0 370.387 -0.764 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000740339855 602583623 /nfs/dbraw/zinc/58/36/23/602583623.db2.gz BHMOXRHBPZRLTP-LLVKDONJSA-N -1 0 356.404 -0.072 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000740339857 602583749 /nfs/dbraw/zinc/58/37/49/602583749.db2.gz BHMOXRHBPZRLTP-NSHDSACASA-N -1 0 356.404 -0.072 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000740339913 604430798 /nfs/dbraw/zinc/43/07/98/604430798.db2.gz CIIAZROCVPPZKJ-GFCCVEGCSA-N -1 0 370.431 -0.665 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000740339915 605921314 /nfs/dbraw/zinc/92/13/14/605921314.db2.gz CIIAZROCVPPZKJ-LBPRGKRZSA-N -1 0 370.431 -0.665 20 0 FBADRM Nc1nc(N)nc(COC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)n1 ZINC000740339952 596964037 /nfs/dbraw/zinc/96/40/37/596964037.db2.gz BDNXMTUSJHFRJH-JTQLQIEISA-N -1 0 357.330 -0.201 20 0 FBADRM Nc1nc(N)nc(COC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)n1 ZINC000740339954 596964065 /nfs/dbraw/zinc/96/40/65/596964065.db2.gz BDNXMTUSJHFRJH-SNVBAGLBSA-N -1 0 357.330 -0.201 20 0 FBADRM NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000740340078 603418851 /nfs/dbraw/zinc/41/88/51/603418851.db2.gz GOCBQGZESOVLFR-MRVPVSSYSA-N -1 0 374.350 -0.720 20 0 FBADRM NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000740340082 603418880 /nfs/dbraw/zinc/41/88/80/603418880.db2.gz GOCBQGZESOVLFR-QMMMGPOBSA-N -1 0 374.350 -0.720 20 0 FBADRM NS(=O)(=O)CCCNC(=O)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000740340091 602761105 /nfs/dbraw/zinc/76/11/05/602761105.db2.gz APARVNRHBYXDPT-UHFFFAOYSA-N -1 0 362.339 -0.351 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)Cc2ccc(NC(=O)[O-])cc2)CC1 ZINC000740340103 603411020 /nfs/dbraw/zinc/41/10/20/603411020.db2.gz AUYHFWRRZMPPIF-UHFFFAOYSA-N -1 0 370.431 -0.248 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)N2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000740340434 604584446 /nfs/dbraw/zinc/58/44/46/604584446.db2.gz JEHOJQXUEUJMFH-LLVKDONJSA-N -1 0 356.404 -0.072 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)N2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000740340435 605089895 /nfs/dbraw/zinc/08/98/95/605089895.db2.gz JEHOJQXUEUJMFH-NSHDSACASA-N -1 0 356.404 -0.072 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000740340500 603060308 /nfs/dbraw/zinc/06/03/08/603060308.db2.gz LMORBWBJNVANCV-CMPLNLGQSA-N -1 0 357.388 -0.894 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000740340501 603060856 /nfs/dbraw/zinc/06/08/56/603060856.db2.gz LMORBWBJNVANCV-JQWIXIFHSA-N -1 0 357.388 -0.894 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000740340502 603060861 /nfs/dbraw/zinc/06/08/61/603060861.db2.gz LMORBWBJNVANCV-PWSUYJOCSA-N -1 0 357.388 -0.894 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000740340503 603060842 /nfs/dbraw/zinc/06/08/42/603060842.db2.gz LMORBWBJNVANCV-ZYHUDNBSSA-N -1 0 357.388 -0.894 20 0 FBADRM NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000740340521 604567096 /nfs/dbraw/zinc/56/70/96/604567096.db2.gz MHHSIYIFFFJDGD-MRVPVSSYSA-N -1 0 374.350 -0.720 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])C1 ZINC000740340584 602897856 /nfs/dbraw/zinc/89/78/56/602897856.db2.gz GJMRDOUPXJNFLG-NEPJUHHUSA-N -1 0 363.436 -0.328 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])C1 ZINC000740340585 602898007 /nfs/dbraw/zinc/89/80/07/602898007.db2.gz GJMRDOUPXJNFLG-NWDGAFQWSA-N -1 0 363.436 -0.328 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])C1 ZINC000740340586 602897952 /nfs/dbraw/zinc/89/79/52/602897952.db2.gz GJMRDOUPXJNFLG-RYUDHWBXSA-N -1 0 363.436 -0.328 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])C1 ZINC000740340587 602897926 /nfs/dbraw/zinc/89/79/26/602897926.db2.gz GJMRDOUPXJNFLG-VXGBXAGGSA-N -1 0 363.436 -0.328 20 0 FBADRM NS(=O)(=O)[C@H]1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)C1 ZINC000740340589 597007597 /nfs/dbraw/zinc/00/75/97/597007597.db2.gz GKDKLKBNGFHRHF-AAEUAGOBSA-N -1 0 366.399 -0.405 20 0 FBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)C1 ZINC000740340590 597007962 /nfs/dbraw/zinc/00/79/62/597007962.db2.gz GKDKLKBNGFHRHF-DGCLKSJQSA-N -1 0 366.399 -0.405 20 0 FBADRM NS(=O)(=O)[C@H]1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)C1 ZINC000740340591 597007943 /nfs/dbraw/zinc/00/79/43/597007943.db2.gz GKDKLKBNGFHRHF-WCQYABFASA-N -1 0 366.399 -0.405 20 0 FBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)C1 ZINC000740340592 597007785 /nfs/dbraw/zinc/00/77/85/597007785.db2.gz GKDKLKBNGFHRHF-YPMHNXCESA-N -1 0 366.399 -0.405 20 0 FBADRM O=C([O-])N1CCCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000740340655 602502488 /nfs/dbraw/zinc/50/24/88/602502488.db2.gz HTUOBNNOMRCMDZ-CYBMUJFWSA-N -1 0 366.418 -0.188 20 0 FBADRM O=C([O-])N1CCCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000740340656 602502522 /nfs/dbraw/zinc/50/25/22/602502522.db2.gz HTUOBNNOMRCMDZ-ZDUSSCGKSA-N -1 0 366.418 -0.188 20 0 FBADRM NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)c1 ZINC000740340724 605119298 /nfs/dbraw/zinc/11/92/98/605119298.db2.gz MHHSIYIFFFJDGD-QMMMGPOBSA-N -1 0 374.350 -0.720 20 0 FBADRM NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NCCCNC(=O)[O-])c1 ZINC000740340910 603412473 /nfs/dbraw/zinc/41/24/73/603412473.db2.gz NMJHSCWXQBCGQB-UHFFFAOYSA-N -1 0 362.339 -0.815 20 0 FBADRM NS(=O)(=O)CCCNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000740341013 596961495 /nfs/dbraw/zinc/96/14/95/596961495.db2.gz IJHXJTXDASCSJA-GFCCVEGCSA-N -1 0 354.388 -0.499 20 0 FBADRM NS(=O)(=O)CCCNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000740341015 596961377 /nfs/dbraw/zinc/96/13/77/596961377.db2.gz IJHXJTXDASCSJA-LBPRGKRZSA-N -1 0 354.388 -0.499 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)N[C@H](CNC(=O)[O-])C2CCCCC2)c1 ZINC000740341043 602594658 /nfs/dbraw/zinc/59/46/58/602594658.db2.gz AQROWUWHYPCUAN-GFCCVEGCSA-N -1 0 373.435 -0.137 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)N[C@@H](CNC(=O)[O-])C2CCCCC2)c1 ZINC000740341046 602594760 /nfs/dbraw/zinc/59/47/60/602594760.db2.gz AQROWUWHYPCUAN-LBPRGKRZSA-N -1 0 373.435 -0.137 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])c1 ZINC000740341080 602977709 /nfs/dbraw/zinc/97/77/09/602977709.db2.gz AXNDZKNRBNFYJX-GXSJLCMTSA-N -1 0 359.408 -0.527 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])c1 ZINC000740341084 602977866 /nfs/dbraw/zinc/97/78/66/602977866.db2.gz AXNDZKNRBNFYJX-KOLCDFICSA-N -1 0 359.408 -0.527 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])c1 ZINC000740341087 602977944 /nfs/dbraw/zinc/97/79/44/602977944.db2.gz AXNDZKNRBNFYJX-MWLCHTKSSA-N -1 0 359.408 -0.527 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])c1 ZINC000740341090 602977667 /nfs/dbraw/zinc/97/76/67/602977667.db2.gz AXNDZKNRBNFYJX-ONGXEEELSA-N -1 0 359.408 -0.527 20 0 FBADRM Nc1c(C(=O)CN2CC[C@H](CNC(=O)[O-])C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000740341105 601951381 /nfs/dbraw/zinc/95/13/81/601951381.db2.gz BBYQXKSVPMFKNX-MRVPVSSYSA-N -1 0 351.363 -0.362 20 0 FBADRM Nc1c(C(=O)CN2CC[C@@H](CNC(=O)[O-])C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000740341111 601951279 /nfs/dbraw/zinc/95/12/79/601951279.db2.gz BBYQXKSVPMFKNX-QMMMGPOBSA-N -1 0 351.363 -0.362 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000740341156 603012510 /nfs/dbraw/zinc/01/25/10/603012510.db2.gz BICLSBJYZXFWMJ-UHFFFAOYSA-N -1 0 356.360 -0.905 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)NCCN(C(=O)[O-])C2CC2)c1 ZINC000740341168 603410248 /nfs/dbraw/zinc/41/02/48/603410248.db2.gz BQCNVMKPVDJJEK-UHFFFAOYSA-N -1 0 370.387 -0.469 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](CNC(=O)[O-])C2)c1 ZINC000740341236 601995840 /nfs/dbraw/zinc/99/58/40/601995840.db2.gz CRUZJSCAWGYPCX-SECBINFHSA-N -1 0 363.417 -0.388 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](CNC(=O)[O-])C2)c1 ZINC000740341238 601996056 /nfs/dbraw/zinc/99/60/56/601996056.db2.gz CRUZJSCAWGYPCX-VIFPVBQESA-N -1 0 363.417 -0.388 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)NCCN2CCN(C(=O)[O-])CC2)s1 ZINC000740341326 602461751 /nfs/dbraw/zinc/46/17/51/602461751.db2.gz PZCIFHJRDRFCLV-UHFFFAOYSA-N -1 0 362.433 -0.579 20 0 FBADRM O=C([O-])N1CSC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000740341372 601861911 /nfs/dbraw/zinc/86/19/11/601861911.db2.gz MRUZVYFNDKYIBM-LLVKDONJSA-N -1 0 370.431 -0.668 20 0 FBADRM Nc1ncnc2c1ncn2CC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000740341484 602685207 /nfs/dbraw/zinc/68/52/07/602685207.db2.gz NZAYYULLKMFPEG-UHFFFAOYSA-N -1 0 362.394 -0.790 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCN2C(=O)[O-])c1 ZINC000740341527 602594076 /nfs/dbraw/zinc/59/40/76/602594076.db2.gz CYMAXWVQLLBPAX-SECBINFHSA-N -1 0 363.417 -0.245 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCN2C(=O)[O-])c1 ZINC000740341528 602594084 /nfs/dbraw/zinc/59/40/84/602594084.db2.gz CYMAXWVQLLBPAX-VIFPVBQESA-N -1 0 363.417 -0.245 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000740341583 602607296 /nfs/dbraw/zinc/60/72/96/602607296.db2.gz BOEXXZCTEKGJBG-JTQLQIEISA-N -1 0 370.387 -0.469 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCN2C(=O)[O-])cc1 ZINC000740341584 602607151 /nfs/dbraw/zinc/60/71/51/602607151.db2.gz BOEXXZCTEKGJBG-SNVBAGLBSA-N -1 0 370.387 -0.469 20 0 FBADRM Nc1c(C(=O)CN2CCC(NC(=O)[O-])CC2)c(=O)[nH]c(=O)n1C1CC1 ZINC000740341675 602376837 /nfs/dbraw/zinc/37/68/37/602376837.db2.gz FMRZVKKWOQURTF-UHFFFAOYSA-N -1 0 351.363 -0.219 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000740341769 604567160 /nfs/dbraw/zinc/56/71/60/604567160.db2.gz FYLHATWESAYXKY-SECBINFHSA-N -1 0 356.360 -0.859 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)c1 ZINC000740341775 605112511 /nfs/dbraw/zinc/11/25/11/605112511.db2.gz FYLHATWESAYXKY-VIFPVBQESA-N -1 0 356.360 -0.859 20 0 FBADRM NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCC(=O)[O-])c1 ZINC000740341786 597116565 /nfs/dbraw/zinc/11/65/65/597116565.db2.gz DKCZRYNTNGKJGZ-UHFFFAOYSA-N -1 0 357.388 -0.625 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000740341915 603157656 /nfs/dbraw/zinc/15/76/56/603157656.db2.gz WPEOWASPQIVKAZ-GXSJLCMTSA-N -1 0 372.355 -0.827 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000740341919 603157401 /nfs/dbraw/zinc/15/74/01/603157401.db2.gz WPEOWASPQIVKAZ-KOLCDFICSA-N -1 0 372.355 -0.827 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000740341923 603157507 /nfs/dbraw/zinc/15/75/07/603157507.db2.gz WPEOWASPQIVKAZ-MWLCHTKSSA-N -1 0 372.355 -0.827 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000740341925 603157627 /nfs/dbraw/zinc/15/76/27/603157627.db2.gz WPEOWASPQIVKAZ-ONGXEEELSA-N -1 0 372.355 -0.827 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)NCCN2CCN(C(=O)[O-])CC2)cc1 ZINC000740342142 602568731 /nfs/dbraw/zinc/56/87/31/602568731.db2.gz YWGNOBYVPFZMBW-UHFFFAOYSA-N -1 0 370.431 -0.712 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2COCCN2C(=O)[O-])cc1 ZINC000740342150 602821118 /nfs/dbraw/zinc/82/11/18/602821118.db2.gz ZEHOMUPLQXVAQG-GFCCVEGCSA-N -1 0 357.388 -0.629 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2COCCN2C(=O)[O-])cc1 ZINC000740342151 602820987 /nfs/dbraw/zinc/82/09/87/602820987.db2.gz ZEHOMUPLQXVAQG-LBPRGKRZSA-N -1 0 357.388 -0.629 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000740342177 602418688 /nfs/dbraw/zinc/41/86/88/602418688.db2.gz HLZRNZCXLWTKLX-JTQLQIEISA-N -1 0 359.408 -0.573 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000740342178 602418751 /nfs/dbraw/zinc/41/87/51/602418751.db2.gz HLZRNZCXLWTKLX-SNVBAGLBSA-N -1 0 359.408 -0.573 20 0 FBADRM NS(=O)(=O)c1ccccc1NC(=O)COC(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000740342194 602934472 /nfs/dbraw/zinc/93/44/72/602934472.db2.gz IFSYTZJKMZKSPC-JTQLQIEISA-N -1 0 371.371 -0.042 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000740342240 602031898 /nfs/dbraw/zinc/03/18/98/602031898.db2.gz JMKNJTNPNBFWCQ-JTQLQIEISA-N -1 0 359.408 -0.573 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000740342242 602031844 /nfs/dbraw/zinc/03/18/44/602031844.db2.gz JMKNJTNPNBFWCQ-SNVBAGLBSA-N -1 0 359.408 -0.573 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000740342264 603418794 /nfs/dbraw/zinc/41/87/94/603418794.db2.gz JYVWMNRMPWWCAE-SECBINFHSA-N -1 0 356.360 -0.859 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000740342266 603418591 /nfs/dbraw/zinc/41/85/91/603418591.db2.gz JYVWMNRMPWWCAE-VIFPVBQESA-N -1 0 356.360 -0.859 20 0 FBADRM Nc1ncnc2c1ncn2CCCOC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000740342274 603146501 /nfs/dbraw/zinc/14/65/01/603146501.db2.gz SWZJKLHIUOUELD-BDAKNGLRSA-N -1 0 350.335 -0.545 20 0 FBADRM Nc1ncnc2c1ncn2CCCOC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000740342276 603146442 /nfs/dbraw/zinc/14/64/42/603146442.db2.gz SWZJKLHIUOUELD-DTWKUNHWSA-N -1 0 350.335 -0.545 20 0 FBADRM Nc1ncnc2c1ncn2CCCOC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000740342278 603146462 /nfs/dbraw/zinc/14/64/62/603146462.db2.gz SWZJKLHIUOUELD-IUCAKERBSA-N -1 0 350.335 -0.545 20 0 FBADRM Nc1ncnc2c1ncn2CCCOC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000740342280 603146528 /nfs/dbraw/zinc/14/65/28/603146528.db2.gz SWZJKLHIUOUELD-RKDXNWHRSA-N -1 0 350.335 -0.545 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)NCCN(C(=O)[O-])C2CC2)cc1 ZINC000740342295 602044602 /nfs/dbraw/zinc/04/46/02/602044602.db2.gz FQWQMYVODRYYKL-UHFFFAOYSA-N -1 0 363.417 -0.245 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)NCC2(NC(=O)[O-])CCCCC2)c1 ZINC000740342302 602031523 /nfs/dbraw/zinc/03/15/23/602031523.db2.gz KOZSNRYOXCQQGH-UHFFFAOYSA-N -1 0 359.408 -0.383 20 0 FBADRM NS(=O)(=O)c1ccc(OCC(=O)NC[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000740342304 602607051 /nfs/dbraw/zinc/60/70/51/602607051.db2.gz FSLHSKYEZMPFFH-JTQLQIEISA-N -1 0 357.388 -0.029 20 0 FBADRM NS(=O)(=O)c1ccc(OCC(=O)NC[C@H]2CCCN2C(=O)[O-])cc1 ZINC000740342307 602607064 /nfs/dbraw/zinc/60/70/64/602607064.db2.gz FSLHSKYEZMPFFH-SNVBAGLBSA-N -1 0 357.388 -0.029 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])c1 ZINC000740342331 602991499 /nfs/dbraw/zinc/99/14/99/602991499.db2.gz LISAFAZLNOKTDK-CMPLNLGQSA-N -1 0 373.435 -0.137 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])c1 ZINC000740342334 602991730 /nfs/dbraw/zinc/99/17/30/602991730.db2.gz LISAFAZLNOKTDK-JQWIXIFHSA-N -1 0 373.435 -0.137 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])c1 ZINC000740342336 602991572 /nfs/dbraw/zinc/99/15/72/602991572.db2.gz LISAFAZLNOKTDK-PWSUYJOCSA-N -1 0 373.435 -0.137 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])c1 ZINC000740342339 602991556 /nfs/dbraw/zinc/99/15/56/602991556.db2.gz LISAFAZLNOKTDK-ZYHUDNBSSA-N -1 0 373.435 -0.137 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CC[C@@H](NC(=O)[O-])C1 ZINC000740342408 604430572 /nfs/dbraw/zinc/43/05/72/604430572.db2.gz HHEJYGXEJGGTSZ-LLVKDONJSA-N -1 0 368.415 -0.435 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CC[C@H](NC(=O)[O-])C1 ZINC000740342411 605931640 /nfs/dbraw/zinc/93/16/40/605931640.db2.gz HHEJYGXEJGGTSZ-NSHDSACASA-N -1 0 368.415 -0.435 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NCCCNC(=O)[O-] ZINC000740342414 602351307 /nfs/dbraw/zinc/35/13/07/602351307.db2.gz HHXONLCGNJIHCR-UHFFFAOYSA-N -1 0 372.359 -0.984 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CNC(=O)[O-])C2CC2)cc1 ZINC000740342460 603104365 /nfs/dbraw/zinc/10/43/65/603104365.db2.gz IBZBIAOISPLLER-LLVKDONJSA-N -1 0 370.387 -0.565 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CNC(=O)[O-])C2CC2)cc1 ZINC000740342462 603104178 /nfs/dbraw/zinc/10/41/78/603104178.db2.gz IBZBIAOISPLLER-NSHDSACASA-N -1 0 370.387 -0.565 20 0 FBADRM NS(=O)(=O)c1ccc(CNCC(=O)N2CCN(C(=O)[O-])CC2)s1 ZINC000740342483 602264824 /nfs/dbraw/zinc/26/48/24/602264824.db2.gz IGSMSMRLPMTZAA-UHFFFAOYSA-N -1 0 362.433 -0.693 20 0 FBADRM NS(=O)(=O)CC1CCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000740342556 602885915 /nfs/dbraw/zinc/88/59/15/602885915.db2.gz PLFUTDHCTNYJOJ-GFCCVEGCSA-N -1 0 363.436 -0.328 20 0 FBADRM NS(=O)(=O)CC1CCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000740342558 602885784 /nfs/dbraw/zinc/88/57/84/602885784.db2.gz PLFUTDHCTNYJOJ-LBPRGKRZSA-N -1 0 363.436 -0.328 20 0 FBADRM NS(=O)(=O)c1ccc(OCC(=O)N[C@H](CNC(=O)[O-])C2CC2)cc1 ZINC000740342563 603104091 /nfs/dbraw/zinc/10/40/91/603104091.db2.gz JUQQPHCSBPAXAJ-GFCCVEGCSA-N -1 0 357.388 -0.125 20 0 FBADRM NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](CNC(=O)[O-])C2CC2)cc1 ZINC000740342566 603104341 /nfs/dbraw/zinc/10/43/41/603104341.db2.gz JUQQPHCSBPAXAJ-LBPRGKRZSA-N -1 0 357.388 -0.125 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)N2CCCC[C@H]2CNC(=O)[O-])c1 ZINC000740342695 837849972 /nfs/dbraw/zinc/84/99/72/837849972.db2.gz MEZKQXOYRKHCRR-JTQLQIEISA-N -1 0 359.408 -0.431 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)N2CCCC[C@@H]2CNC(=O)[O-])c1 ZINC000740342696 837850318 /nfs/dbraw/zinc/85/03/18/837850318.db2.gz MEZKQXOYRKHCRR-SNVBAGLBSA-N -1 0 359.408 -0.431 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](CNC(=O)[O-])C2CC2)c1 ZINC000740342707 603068140 /nfs/dbraw/zinc/06/81/40/603068140.db2.gz MTQRHBOGILVDHV-LLVKDONJSA-N -1 0 363.417 -0.342 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](CNC(=O)[O-])C2CC2)c1 ZINC000740342708 603068234 /nfs/dbraw/zinc/06/82/34/603068234.db2.gz MTQRHBOGILVDHV-NSHDSACASA-N -1 0 363.417 -0.342 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000740342716 602652944 /nfs/dbraw/zinc/65/29/44/602652944.db2.gz NCQCRISGQVILCH-JTQLQIEISA-N -1 0 359.408 -0.573 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000740342717 602652880 /nfs/dbraw/zinc/65/28/80/602652880.db2.gz NCQCRISGQVILCH-SNVBAGLBSA-N -1 0 359.408 -0.573 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)NCC2CCN(C(=O)[O-])CC2)c1 ZINC000740342723 602032135 /nfs/dbraw/zinc/03/21/35/602032135.db2.gz NPRIINLVJBYRFN-UHFFFAOYSA-N -1 0 359.408 -0.573 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000740342792 602641717 /nfs/dbraw/zinc/64/17/17/602641717.db2.gz OZSSQFXDJRKCQV-LLVKDONJSA-N -1 0 373.435 -0.183 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000740342794 602641761 /nfs/dbraw/zinc/64/17/61/602641761.db2.gz OZSSQFXDJRKCQV-NSHDSACASA-N -1 0 373.435 -0.183 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000740342930 602894399 /nfs/dbraw/zinc/89/43/99/602894399.db2.gz LSUKDKYJWKNDBA-SECBINFHSA-N -1 0 371.371 -0.184 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)COC(=O)[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000740342933 602894389 /nfs/dbraw/zinc/89/43/89/602894389.db2.gz LSUKDKYJWKNDBA-VIFPVBQESA-N -1 0 371.371 -0.184 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@@H](CNC(=O)[O-])C2)cc1 ZINC000740342938 601962101 /nfs/dbraw/zinc/96/21/01/601962101.db2.gz LUYGLBBOWMRTBE-JTQLQIEISA-N -1 0 356.404 -0.138 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@H](CNC(=O)[O-])C2)cc1 ZINC000740342941 601962476 /nfs/dbraw/zinc/96/24/76/601962476.db2.gz LUYGLBBOWMRTBE-SNVBAGLBSA-N -1 0 356.404 -0.138 20 0 FBADRM NS(=O)(=O)CCCNC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000740342998 602026925 /nfs/dbraw/zinc/02/69/25/602026925.db2.gz RNGAMZMHSAJESA-UHFFFAOYSA-N -1 0 360.396 -0.999 20 0 FBADRM NS(=O)(=O)c1ccc(OCCOC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000740342999 603161914 /nfs/dbraw/zinc/16/19/14/603161914.db2.gz MMKIAMLDKWAVQM-BXKDBHETSA-N -1 0 374.371 -0.631 20 0 FBADRM NS(=O)(=O)c1ccc(OCCOC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000740343002 603161799 /nfs/dbraw/zinc/16/17/99/603161799.db2.gz MMKIAMLDKWAVQM-CABZTGNLSA-N -1 0 374.371 -0.631 20 0 FBADRM NS(=O)(=O)c1ccc(OCCOC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000740343004 603161661 /nfs/dbraw/zinc/16/16/61/603161661.db2.gz MMKIAMLDKWAVQM-JOYOIKCWSA-N -1 0 374.371 -0.631 20 0 FBADRM NS(=O)(=O)c1ccc(OCCOC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000740343007 603161832 /nfs/dbraw/zinc/16/18/32/603161832.db2.gz MMKIAMLDKWAVQM-SKDRFNHKSA-N -1 0 374.371 -0.631 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000740343047 596930369 /nfs/dbraw/zinc/93/03/69/596930369.db2.gz NGNWCKTUTUZLHS-UHFFFAOYSA-N -1 0 355.372 -0.404 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](CNC(=O)[O-])C2)cc1 ZINC000740343057 602034891 /nfs/dbraw/zinc/03/48/91/602034891.db2.gz NOVHXVHGEDILIP-SECBINFHSA-N -1 0 370.387 -0.611 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](CNC(=O)[O-])C2)cc1 ZINC000740343059 602034948 /nfs/dbraw/zinc/03/49/48/602034948.db2.gz NOVHXVHGEDILIP-VIFPVBQESA-N -1 0 370.387 -0.611 20 0 FBADRM NS(=O)(=O)c1cccnc1N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000740343224 602749135 /nfs/dbraw/zinc/74/91/35/602749135.db2.gz RFCIFUMXURBADL-JTQLQIEISA-N -1 0 371.419 -0.671 20 0 FBADRM NS(=O)(=O)c1cccnc1N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000740343225 602749105 /nfs/dbraw/zinc/74/91/05/602749105.db2.gz RFCIFUMXURBADL-SNVBAGLBSA-N -1 0 371.419 -0.671 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](CNC(=O)[O-])C2)c1 ZINC000740343232 603407796 /nfs/dbraw/zinc/40/77/96/603407796.db2.gz RNWIYTHHVJNXON-SECBINFHSA-N -1 0 370.387 -0.611 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](CNC(=O)[O-])C2)c1 ZINC000740343233 603407697 /nfs/dbraw/zinc/40/76/97/603407697.db2.gz RNWIYTHHVJNXON-VIFPVBQESA-N -1 0 370.387 -0.611 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)NC2(CNC(=O)[O-])CCCC2)c1 ZINC000740343241 602519172 /nfs/dbraw/zinc/51/91/72/602519172.db2.gz RUIGHIGZUJQFAH-UHFFFAOYSA-N -1 0 359.408 -0.383 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000740343257 602888186 /nfs/dbraw/zinc/88/81/86/602888186.db2.gz SBICHPLMMBQPNC-SECBINFHSA-N -1 0 371.371 -0.184 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)COC(=O)[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000740343258 602887906 /nfs/dbraw/zinc/88/79/06/602887906.db2.gz SBICHPLMMBQPNC-VIFPVBQESA-N -1 0 371.371 -0.184 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000740343263 603007834 /nfs/dbraw/zinc/00/78/34/603007834.db2.gz SDKIZGRHXVHNIH-FGWVZKOKSA-N -1 0 371.419 -0.290 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(NC(=O)[O-])CC2)c1 ZINC000740343269 603395576 /nfs/dbraw/zinc/39/55/76/603395576.db2.gz SPXPFOWKHSXZMG-UHFFFAOYSA-N -1 0 370.387 -0.469 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H](CNC(=O)[O-])C2)c1 ZINC000740343273 601962161 /nfs/dbraw/zinc/96/21/61/601962161.db2.gz STYXRBIFGFFDNM-JTQLQIEISA-N -1 0 356.404 -0.138 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)CN2CC[C@H](CNC(=O)[O-])C2)c1 ZINC000740343274 601962251 /nfs/dbraw/zinc/96/22/51/601962251.db2.gz STYXRBIFGFFDNM-SNVBAGLBSA-N -1 0 356.404 -0.138 20 0 FBADRM NS(=O)(=O)c1ccc(N2CCN(C(=O)NCCNC(=O)[O-])CC2)cc1 ZINC000740343567 602321490 /nfs/dbraw/zinc/32/14/90/602321490.db2.gz PTCOFMFUOZAESN-UHFFFAOYSA-N -1 0 371.419 -0.567 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CNC(=O)[O-])C2CC2)cc1 ZINC000740343590 603071283 /nfs/dbraw/zinc/07/12/83/603071283.db2.gz QKYOGTUPLWABCI-LLVKDONJSA-N -1 0 363.417 -0.342 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CNC(=O)[O-])C2CC2)cc1 ZINC000740343591 603071116 /nfs/dbraw/zinc/07/11/16/603071116.db2.gz QKYOGTUPLWABCI-NSHDSACASA-N -1 0 363.417 -0.342 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCN(C(=O)[O-])C2CC2)cc1 ZINC000740343630 602065754 /nfs/dbraw/zinc/06/57/54/602065754.db2.gz RUWASPJLGLNRCK-UHFFFAOYSA-N -1 0 370.387 -0.469 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)NC2CCC(NC(=O)[O-])CC2)c1 ZINC000740343661 603065793 /nfs/dbraw/zinc/06/57/93/603065793.db2.gz UMPSMPPQVDBLET-UHFFFAOYSA-N -1 0 359.408 -0.384 20 0 FBADRM NS(=O)(=O)c1ccccc1NC(=O)COC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000740343663 602885169 /nfs/dbraw/zinc/88/51/69/602885169.db2.gz UOUCMQLSAZCOFU-SECBINFHSA-N -1 0 371.371 -0.184 20 0 FBADRM NS(=O)(=O)c1ccccc1NC(=O)COC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000740343664 602885255 /nfs/dbraw/zinc/88/52/55/602885255.db2.gz UOUCMQLSAZCOFU-VIFPVBQESA-N -1 0 371.371 -0.184 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)Nc2cccc(CNC(=O)[O-])c2)c1 ZINC000740343700 602199589 /nfs/dbraw/zinc/19/95/89/602199589.db2.gz WCVZSJRPNXMFPZ-UHFFFAOYSA-N -1 0 353.360 -0.063 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCCN2C(=O)[O-])c1 ZINC000740343702 603417050 /nfs/dbraw/zinc/41/70/50/603417050.db2.gz WDPNEQZQEFVWGN-JTQLQIEISA-N -1 0 370.387 -0.469 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CCCN2C(=O)[O-])c1 ZINC000740343704 603417273 /nfs/dbraw/zinc/41/72/73/603417273.db2.gz WDPNEQZQEFVWGN-SNVBAGLBSA-N -1 0 370.387 -0.469 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](CNC(=O)[O-])C2CC2)c1 ZINC000740343711 603141824 /nfs/dbraw/zinc/14/18/24/603141824.db2.gz WIDAFYRCUCQDOK-LLVKDONJSA-N -1 0 370.387 -0.565 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](CNC(=O)[O-])C2CC2)c1 ZINC000740343712 603141850 /nfs/dbraw/zinc/14/18/50/603141850.db2.gz WIDAFYRCUCQDOK-NSHDSACASA-N -1 0 370.387 -0.565 20 0 FBADRM NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NCCNC(=O)[O-])CC2=O)c1 ZINC000740343736 603075718 /nfs/dbraw/zinc/07/57/18/603075718.db2.gz WVMGLBKBGGBYTF-SECBINFHSA-N -1 0 370.387 -0.929 20 0 FBADRM NS(=O)(=O)CCCNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740343738 602761241 /nfs/dbraw/zinc/76/12/41/602761241.db2.gz WNXIXROBWQWKTL-UHFFFAOYSA-N -1 0 370.387 -0.540 20 0 FBADRM NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NCCNC(=O)[O-])CC2=O)c1 ZINC000740343739 603075414 /nfs/dbraw/zinc/07/54/14/603075414.db2.gz WVMGLBKBGGBYTF-VIFPVBQESA-N -1 0 370.387 -0.929 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)NCCN(C(=O)[O-])C2CC2)c1 ZINC000740343901 602044658 /nfs/dbraw/zinc/04/46/58/602044658.db2.gz YJIVCIXAEUHPFN-UHFFFAOYSA-N -1 0 363.417 -0.245 20 0 FBADRM NS(=O)(=O)c1ccc(F)c(CNC(=O)[C@H]2COCCN2C(=O)[O-])c1 ZINC000740344027 602910348 /nfs/dbraw/zinc/91/03/48/602910348.db2.gz SXGDWFNLSKGSNU-LLVKDONJSA-N -1 0 361.351 -0.532 20 0 FBADRM NS(=O)(=O)c1ccc(F)c(CNC(=O)[C@@H]2COCCN2C(=O)[O-])c1 ZINC000740344028 602910332 /nfs/dbraw/zinc/91/03/32/602910332.db2.gz SXGDWFNLSKGSNU-NSHDSACASA-N -1 0 361.351 -0.532 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000740344060 604584411 /nfs/dbraw/zinc/58/44/11/604584411.db2.gz UUTSVIRQHJNAFX-SECBINFHSA-N -1 0 356.360 -0.859 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000740344061 605157893 /nfs/dbraw/zinc/15/78/93/605157893.db2.gz UUTSVIRQHJNAFX-VIFPVBQESA-N -1 0 356.360 -0.859 20 0 FBADRM NS(=O)(=O)c1ccc(OCC(=O)N2CC[C@@H](CNC(=O)[O-])C2)cc1 ZINC000740344070 602034563 /nfs/dbraw/zinc/03/45/63/602034563.db2.gz VDKKQYXVNZKRER-JTQLQIEISA-N -1 0 357.388 -0.171 20 0 FBADRM NS(=O)(=O)c1ccc(OCC(=O)N2CC[C@H](CNC(=O)[O-])C2)cc1 ZINC000740344071 602034558 /nfs/dbraw/zinc/03/45/58/602034558.db2.gz VDKKQYXVNZKRER-SNVBAGLBSA-N -1 0 357.388 -0.171 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000740344092 603012737 /nfs/dbraw/zinc/01/27/37/603012737.db2.gz VVPUSPDREFFEGC-UHFFFAOYSA-N -1 0 356.360 -0.905 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCN2C(=O)[O-])cc1 ZINC000740344254 602592600 /nfs/dbraw/zinc/59/26/00/602592600.db2.gz YDAAFHJJKZSDSH-SECBINFHSA-N -1 0 363.417 -0.245 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000740344255 602592599 /nfs/dbraw/zinc/59/25/99/602592599.db2.gz YDAAFHJJKZSDSH-VIFPVBQESA-N -1 0 363.417 -0.245 20 0 FBADRM NS(=O)(=O)c1ccc(OCC(=O)NCCN(C(=O)[O-])C2CC2)cc1 ZINC000740344274 602065663 /nfs/dbraw/zinc/06/56/63/602065663.db2.gz YMIMVJSXNUJUQP-UHFFFAOYSA-N -1 0 357.388 -0.029 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](CNC(=O)[O-])C2)cc1 ZINC000740344295 601996912 /nfs/dbraw/zinc/99/69/12/601996912.db2.gz ZFRVYHGZYJWGNZ-SECBINFHSA-N -1 0 363.417 -0.388 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](CNC(=O)[O-])C2)cc1 ZINC000740344296 601997215 /nfs/dbraw/zinc/99/72/15/601997215.db2.gz ZFRVYHGZYJWGNZ-VIFPVBQESA-N -1 0 363.417 -0.388 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000740344303 602593854 /nfs/dbraw/zinc/59/38/54/602593854.db2.gz ZKBIQVKUHFHPDG-SECBINFHSA-N -1 0 356.360 -0.859 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000740344304 602593950 /nfs/dbraw/zinc/59/39/50/602593950.db2.gz ZKBIQVKUHFHPDG-VIFPVBQESA-N -1 0 356.360 -0.859 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000740345060 602828428 /nfs/dbraw/zinc/82/84/28/602828428.db2.gz JOUPLCPAZBOJMT-CYBMUJFWSA-N -1 0 355.391 -0.537 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000740345064 602828446 /nfs/dbraw/zinc/82/84/46/602828446.db2.gz JOUPLCPAZBOJMT-ZDUSSCGKSA-N -1 0 355.391 -0.537 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000740345727 603085158 /nfs/dbraw/zinc/08/51/58/603085158.db2.gz KOZVGCYATNYWEZ-GFCCVEGCSA-N -1 0 372.403 -0.209 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000740345729 603085177 /nfs/dbraw/zinc/08/51/77/603085177.db2.gz KOZVGCYATNYWEZ-LBPRGKRZSA-N -1 0 372.403 -0.209 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000740346622 602913048 /nfs/dbraw/zinc/91/30/48/602913048.db2.gz FHBDLHIXRJIQRW-LLVKDONJSA-N -1 0 361.362 -0.848 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000740346623 602912967 /nfs/dbraw/zinc/91/29/67/602912967.db2.gz FHBDLHIXRJIQRW-NSHDSACASA-N -1 0 361.362 -0.848 20 0 FBADRM O=C([O-])N1CSC[C@H]1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000740346626 603233534 /nfs/dbraw/zinc/23/35/34/603233534.db2.gz FHOZDJJEEHHPCO-JTQLQIEISA-N -1 0 363.403 -0.174 20 0 FBADRM O=C([O-])N1CSC[C@@H]1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000740346627 603233320 /nfs/dbraw/zinc/23/33/20/603233320.db2.gz FHOZDJJEEHHPCO-SNVBAGLBSA-N -1 0 363.403 -0.174 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000740346932 602834513 /nfs/dbraw/zinc/83/45/13/602834513.db2.gz NRTLLQCNXUYKDO-CHWSQXEVSA-N -1 0 355.391 -0.537 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000740346933 602834212 /nfs/dbraw/zinc/83/42/12/602834212.db2.gz NRTLLQCNXUYKDO-OLZOCXBDSA-N -1 0 355.391 -0.537 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000740346934 602834139 /nfs/dbraw/zinc/83/41/39/602834139.db2.gz NRTLLQCNXUYKDO-QWHCGFSZSA-N -1 0 355.391 -0.537 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000740346935 602834159 /nfs/dbraw/zinc/83/41/59/602834159.db2.gz NRTLLQCNXUYKDO-STQMWFEESA-N -1 0 355.391 -0.537 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000740350866 603066759 /nfs/dbraw/zinc/06/67/59/603066759.db2.gz XEKKBIGEMIASES-CHWSQXEVSA-N -1 0 355.391 -0.803 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000740350868 603066625 /nfs/dbraw/zinc/06/66/25/603066625.db2.gz XEKKBIGEMIASES-OLZOCXBDSA-N -1 0 355.391 -0.803 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000740350870 603066534 /nfs/dbraw/zinc/06/65/34/603066534.db2.gz XEKKBIGEMIASES-QWHCGFSZSA-N -1 0 355.391 -0.803 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000740350872 603066762 /nfs/dbraw/zinc/06/67/62/603066762.db2.gz XEKKBIGEMIASES-STQMWFEESA-N -1 0 355.391 -0.803 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000740351401 603065456 /nfs/dbraw/zinc/06/54/56/603065456.db2.gz XZSCINUTXZCTQL-AGIUHOORSA-N -1 0 355.391 -0.803 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000740351404 603065465 /nfs/dbraw/zinc/06/54/65/603065465.db2.gz XZSCINUTXZCTQL-FRRDWIJNSA-N -1 0 355.391 -0.803 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000740351407 603065166 /nfs/dbraw/zinc/06/51/66/603065166.db2.gz XZSCINUTXZCTQL-JHJVBQTASA-N -1 0 355.391 -0.803 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000740351409 603065218 /nfs/dbraw/zinc/06/52/18/603065218.db2.gz XZSCINUTXZCTQL-UPJWGTAASA-N -1 0 355.391 -0.803 20 0 FBADRM O=C(CCCCN1CCOCC1)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000740352215 602493605 /nfs/dbraw/zinc/49/36/05/602493605.db2.gz BMZCKFUGCLPHPW-UHFFFAOYSA-N -1 0 356.423 -0.573 20 0 FBADRM O=C(CCNC(=O)[C@H]1CCCCN1C(=O)[O-])N[C@@H]1CCS(=O)(=O)C1 ZINC000740356319 602500035 /nfs/dbraw/zinc/50/00/35/602500035.db2.gz HRXOMKNDJDDFQW-GHMZBOCLSA-N -1 0 361.420 -0.672 20 0 FBADRM O=C(CCNC(=O)[C@@H]1CCCCN1C(=O)[O-])N[C@@H]1CCS(=O)(=O)C1 ZINC000740356320 602500025 /nfs/dbraw/zinc/50/00/25/602500025.db2.gz HRXOMKNDJDDFQW-MNOVXSKESA-N -1 0 361.420 -0.672 20 0 FBADRM O=C(CCNC(=O)[C@@H]1CCCCN1C(=O)[O-])N[C@H]1CCS(=O)(=O)C1 ZINC000740356321 602499973 /nfs/dbraw/zinc/49/99/73/602499973.db2.gz HRXOMKNDJDDFQW-QWRGUYRKSA-N -1 0 361.420 -0.672 20 0 FBADRM O=C(CCNC(=O)[C@H]1CCCCN1C(=O)[O-])N[C@H]1CCS(=O)(=O)C1 ZINC000740356322 602500293 /nfs/dbraw/zinc/50/02/93/602500293.db2.gz HRXOMKNDJDDFQW-WDEREUQCSA-N -1 0 361.420 -0.672 20 0 FBADRM O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NC1CN(C(=O)[O-])C1 ZINC000740356517 604947752 /nfs/dbraw/zinc/94/77/52/604947752.db2.gz DHFWTCWTROEIFS-CYBMUJFWSA-N -1 0 354.407 -0.822 20 0 FBADRM O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NC1CN(C(=O)[O-])C1 ZINC000740356519 604947721 /nfs/dbraw/zinc/94/77/21/604947721.db2.gz DHFWTCWTROEIFS-ZDUSSCGKSA-N -1 0 354.407 -0.822 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)CCCn2ccccc2=O)CC1 ZINC000740356949 602950378 /nfs/dbraw/zinc/95/03/78/602950378.db2.gz LTFPVZCSZOZUHP-UHFFFAOYSA-N -1 0 350.375 -0.433 20 0 FBADRM O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CCN(C(=O)[O-])C1 ZINC000740356974 602470869 /nfs/dbraw/zinc/47/08/69/602470869.db2.gz MAZYIOSHSZFNCH-KBPBESRZSA-N -1 0 368.434 -0.432 20 0 FBADRM O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000740356975 602470872 /nfs/dbraw/zinc/47/08/72/602470872.db2.gz MAZYIOSHSZFNCH-KGLIPLIRSA-N -1 0 368.434 -0.432 20 0 FBADRM O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1CCN(C(=O)[O-])C1 ZINC000740356977 602470907 /nfs/dbraw/zinc/47/09/07/602470907.db2.gz MAZYIOSHSZFNCH-UONOGXRCSA-N -1 0 368.434 -0.432 20 0 FBADRM O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000740356979 602470888 /nfs/dbraw/zinc/47/08/88/602470888.db2.gz MAZYIOSHSZFNCH-ZIAGYGMSSA-N -1 0 368.434 -0.432 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCCC(=O)NCc2cccnc2)C(=O)C1 ZINC000740357182 603021540 /nfs/dbraw/zinc/02/15/40/603021540.db2.gz WFTOIWFXRUMYJX-UHFFFAOYSA-N -1 0 363.374 -0.974 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCCC(=O)NCc2ccccc2)C(=O)C1 ZINC000740357271 602998644 /nfs/dbraw/zinc/99/86/44/602998644.db2.gz ZAZSMRHJGSYBIG-UHFFFAOYSA-N -1 0 362.386 -0.369 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)CN2C(=O)CCc3ccccc32)CC1 ZINC000740366305 602460938 /nfs/dbraw/zinc/46/09/38/602460938.db2.gz DPRLCQZDYYTWEU-UHFFFAOYSA-N -1 0 374.397 -0.096 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NC2CCN(CC(F)(F)F)CC2)C(=O)C1 ZINC000740366365 603021772 /nfs/dbraw/zinc/02/17/72/603021772.db2.gz AUUFZPGWWMLDKE-UHFFFAOYSA-N -1 0 366.340 -0.049 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)C(=O)C1 ZINC000740366373 602995157 /nfs/dbraw/zinc/99/51/57/602995157.db2.gz AWVNPXVCSACAKE-JTQLQIEISA-N -1 0 366.340 -0.191 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NC[C@H]2CCN(CC(F)(F)F)C2)C(=O)C1 ZINC000740366377 602995311 /nfs/dbraw/zinc/99/53/11/602995311.db2.gz AWVNPXVCSACAKE-SNVBAGLBSA-N -1 0 366.340 -0.191 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCCS(=O)(=O)c2ccccc2)C(=O)C1 ZINC000740366394 603008416 /nfs/dbraw/zinc/00/84/16/603008416.db2.gz AZWDUTUPIUAUNF-UHFFFAOYSA-N -1 0 369.399 -0.601 20 0 FBADRM O=C(CN1CCN(C(=O)NCCN(C(=O)[O-])C2CC2)CC1)NC1CC1 ZINC000740366402 602078971 /nfs/dbraw/zinc/07/89/71/602078971.db2.gz BBKKKCGWQCEYOR-UHFFFAOYSA-N -1 0 353.423 -0.265 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000740366456 603005225 /nfs/dbraw/zinc/00/52/25/603005225.db2.gz BKQVYSCQMBZQBE-CYBMUJFWSA-N -1 0 360.370 -0.270 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000740366460 603005037 /nfs/dbraw/zinc/00/50/37/603005037.db2.gz BKQVYSCQMBZQBE-ZDUSSCGKSA-N -1 0 360.370 -0.270 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000740366465 603006587 /nfs/dbraw/zinc/00/65/87/603006587.db2.gz BLYWSGGAOPTJIQ-MRVPVSSYSA-N -1 0 366.296 -0.912 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000740366477 603006692 /nfs/dbraw/zinc/00/66/92/603006692.db2.gz BLYWSGGAOPTJIQ-QMMMGPOBSA-N -1 0 366.296 -0.912 20 0 FBADRM O=C(CN(C[C@H]1CCCO1)C(=O)[O-])NCCCN1CCCS1(=O)=O ZINC000740366530 602881947 /nfs/dbraw/zinc/88/19/47/602881947.db2.gz SRHJQAVXCVFSHA-GFCCVEGCSA-N -1 0 363.436 -0.313 20 0 FBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])NCCCN1CCCS1(=O)=O ZINC000740366534 602882145 /nfs/dbraw/zinc/88/21/45/602882145.db2.gz SRHJQAVXCVFSHA-LBPRGKRZSA-N -1 0 363.436 -0.313 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000740366567 602996969 /nfs/dbraw/zinc/99/69/69/602996969.db2.gz CBGBKVYIIGCHFT-GFCCVEGCSA-N -1 0 360.370 -0.270 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000740366570 602997074 /nfs/dbraw/zinc/99/70/74/602997074.db2.gz CBGBKVYIIGCHFT-LBPRGKRZSA-N -1 0 360.370 -0.270 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NC[C@@H](O)COc2ccc(F)cc2)C(=O)C1 ZINC000740366590 603102142 /nfs/dbraw/zinc/10/21/42/603102142.db2.gz CGKUTLDJWISXKL-GFCCVEGCSA-N -1 0 369.349 -0.496 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NC[C@H](O)COc2ccc(F)cc2)C(=O)C1 ZINC000740366596 603102118 /nfs/dbraw/zinc/10/21/18/603102118.db2.gz CGKUTLDJWISXKL-LBPRGKRZSA-N -1 0 369.349 -0.496 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)C(=O)C1 ZINC000740366604 603021993 /nfs/dbraw/zinc/02/19/93/603021993.db2.gz CNBJUVWJEZBJMV-SECBINFHSA-N -1 0 352.313 -0.439 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N[C@H]2CCN(CC(F)(F)F)C2)C(=O)C1 ZINC000740366605 603021947 /nfs/dbraw/zinc/02/19/47/603021947.db2.gz CNBJUVWJEZBJMV-VIFPVBQESA-N -1 0 352.313 -0.439 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N[C@@H]2CCCN(c3cccnn3)C2)C(=O)C1 ZINC000740366620 603031255 /nfs/dbraw/zinc/03/12/55/603031255.db2.gz CRVZWTQEXTXBHY-GFCCVEGCSA-N -1 0 362.390 -0.616 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N[C@H]2CCCN(c3cccnn3)C2)C(=O)C1 ZINC000740366621 603031273 /nfs/dbraw/zinc/03/12/73/603031273.db2.gz CRVZWTQEXTXBHY-LBPRGKRZSA-N -1 0 362.390 -0.616 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000740366938 602904274 /nfs/dbraw/zinc/90/42/74/602904274.db2.gz BJKRKEOYFBONPW-AWEZNQCLSA-N -1 0 368.434 -0.478 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000740366946 602903856 /nfs/dbraw/zinc/90/38/56/602903856.db2.gz BJKRKEOYFBONPW-CQSZACIVSA-N -1 0 368.434 -0.478 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000740367059 602832867 /nfs/dbraw/zinc/83/28/67/602832867.db2.gz DLLFMHDGGPFLCG-AWEZNQCLSA-N -1 0 368.434 -0.478 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000740367062 602832571 /nfs/dbraw/zinc/83/25/71/602832571.db2.gz DLLFMHDGGPFLCG-CQSZACIVSA-N -1 0 368.434 -0.478 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCC(=O)N2CCc3ccccc3C2)C(=O)C1 ZINC000740367201 602999824 /nfs/dbraw/zinc/99/98/24/602999824.db2.gz CULAAGFKAMTYGN-UHFFFAOYSA-N -1 0 374.397 -0.490 20 0 FBADRM O=C(CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O)NCc1ccco1 ZINC000740367237 603295710 /nfs/dbraw/zinc/29/57/10/603295710.db2.gz JPHQFXGINCRTDJ-UHFFFAOYSA-N -1 0 350.331 -0.040 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCCN2C(=O)Cc3ccccc32)C(=O)C1 ZINC000740367266 602999687 /nfs/dbraw/zinc/99/96/87/602999687.db2.gz DRTPCWVSDWFGKA-UHFFFAOYSA-N -1 0 360.370 -0.486 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCCNC(=O)c2ccc(F)cc2)C(=O)C1 ZINC000740367286 602997007 /nfs/dbraw/zinc/99/70/07/602997007.db2.gz DVFXHEURSVCRNF-UHFFFAOYSA-N -1 0 366.349 -0.506 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NC[C@@H](O)c2c(F)cccc2F)C(=O)C1 ZINC000740367287 603103373 /nfs/dbraw/zinc/10/33/73/603103373.db2.gz DWPUZARMNREPKJ-LLVKDONJSA-N -1 0 357.313 -0.063 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NC[C@H](O)c2c(F)cccc2F)C(=O)C1 ZINC000740367288 603103253 /nfs/dbraw/zinc/10/32/53/603103253.db2.gz DWPUZARMNREPKJ-NSHDSACASA-N -1 0 357.313 -0.063 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C(=O)C1 ZINC000740367289 602985247 /nfs/dbraw/zinc/98/52/47/602985247.db2.gz DXCAGSVDBFBGTQ-UHFFFAOYSA-N -1 0 370.312 -0.158 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000740367329 602998598 /nfs/dbraw/zinc/99/85/98/602998598.db2.gz FRCCYZLBFVRDKC-AWEZNQCLSA-N -1 0 374.397 -0.274 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000740367331 602998261 /nfs/dbraw/zinc/99/82/61/602998261.db2.gz FRCCYZLBFVRDKC-CQSZACIVSA-N -1 0 374.397 -0.274 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCCNC(=O)c2ccccc2F)C(=O)C1 ZINC000740367334 602997142 /nfs/dbraw/zinc/99/71/42/602997142.db2.gz FRTPEBRNJCYKTF-UHFFFAOYSA-N -1 0 366.349 -0.506 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NC[C@H]2CCCN2c2cccnn2)C(=O)C1 ZINC000740367339 603031329 /nfs/dbraw/zinc/03/13/29/603031329.db2.gz FUQYSBZDHJQXHQ-GFCCVEGCSA-N -1 0 362.390 -0.616 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NC[C@@H]2CCCN2c2cccnn2)C(=O)C1 ZINC000740367342 603031188 /nfs/dbraw/zinc/03/11/88/603031188.db2.gz FUQYSBZDHJQXHQ-LBPRGKRZSA-N -1 0 362.390 -0.616 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NCCCOCC1CCOCC1 ZINC000740367351 603009916 /nfs/dbraw/zinc/00/99/16/603009916.db2.gz FUYBMXCEPLHUQA-UHFFFAOYSA-N -1 0 357.407 -0.242 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NC[C@@H](O)COc2ccccc2)C(=O)C1 ZINC000740367385 603102147 /nfs/dbraw/zinc/10/21/47/603102147.db2.gz FZPVEYRAHAQUFS-GFCCVEGCSA-N -1 0 351.359 -0.635 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NC[C@H](O)COc2ccccc2)C(=O)C1 ZINC000740367388 603102137 /nfs/dbraw/zinc/10/21/37/603102137.db2.gz FZPVEYRAHAQUFS-LBPRGKRZSA-N -1 0 351.359 -0.635 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N[C@@H]2CCCN(c3ncccn3)C2)C(=O)C1 ZINC000740367401 602994021 /nfs/dbraw/zinc/99/40/21/602994021.db2.gz GBYTVUJEVHFXKK-GFCCVEGCSA-N -1 0 362.390 -0.616 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCc2nc(-c3ccncc3)no2)C(=O)C1 ZINC000740367406 603016250 /nfs/dbraw/zinc/01/62/50/603016250.db2.gz BAUFBHAKIJEBCG-UHFFFAOYSA-N -1 0 360.330 -0.430 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N[C@H]2CCCN(c3ncccn3)C2)C(=O)C1 ZINC000740367407 602994045 /nfs/dbraw/zinc/99/40/45/602994045.db2.gz GBYTVUJEVHFXKK-LBPRGKRZSA-N -1 0 362.390 -0.616 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCCCNC(=O)c2ccccc2)C(=O)C1 ZINC000740367431 602999941 /nfs/dbraw/zinc/99/99/41/602999941.db2.gz GISLUOLIYJGIFN-UHFFFAOYSA-N -1 0 362.386 -0.255 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000740367568 603102127 /nfs/dbraw/zinc/10/21/27/603102127.db2.gz DHQNRDNITOLCAU-UHFFFAOYSA-N -1 0 367.362 -0.906 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NCCC1N=NC(=S)N1C1CC1 ZINC000740367584 603029369 /nfs/dbraw/zinc/02/93/69/603029369.db2.gz DYSIAEVEOFBGTL-UHFFFAOYSA-N -1 0 368.419 -0.617 20 0 FBADRM O=C(CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O)NC(=O)NC1CC1 ZINC000740367901 603295869 /nfs/dbraw/zinc/29/58/69/603295869.db2.gz KGEGOBDDKKUROL-UHFFFAOYSA-N -1 0 353.335 -0.961 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 ZINC000740367903 602537830 /nfs/dbraw/zinc/53/78/30/602537830.db2.gz KIADIMYZCBGCKF-SECBINFHSA-N -1 0 353.356 -0.300 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 ZINC000740367905 602537608 /nfs/dbraw/zinc/53/76/08/602537608.db2.gz KIADIMYZCBGCKF-VIFPVBQESA-N -1 0 353.356 -0.300 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCc2cccnc2-n2ccnc2)C(=O)C1 ZINC000740367950 603016041 /nfs/dbraw/zinc/01/60/41/603016041.db2.gz GDYLZQUUPMMTIJ-UHFFFAOYSA-N -1 0 358.358 -0.294 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NCc1nnc2n1CCCCC2 ZINC000740367973 603016096 /nfs/dbraw/zinc/01/60/96/603016096.db2.gz GIMTXDWFIKSFDQ-UHFFFAOYSA-N -1 0 350.379 -0.557 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCc2n[nH]cc2Br)C(=O)C1 ZINC000740368037 603025597 /nfs/dbraw/zinc/02/55/97/603025597.db2.gz HCBHAVQURDICTF-UHFFFAOYSA-N -1 0 360.168 -0.389 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCc2ccc(-n3cncn3)nc2)C(=O)C1 ZINC000740368110 603018248 /nfs/dbraw/zinc/01/82/48/603018248.db2.gz HWKOOBYVMXKJEP-UHFFFAOYSA-N -1 0 359.346 -0.899 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000740368231 603016093 /nfs/dbraw/zinc/01/60/93/603016093.db2.gz GPXZVWQFNYYUMP-UHFFFAOYSA-N -1 0 352.391 -0.674 20 0 FBADRM O=C(CN1CCN(C(=O)NC[C@H]2CCCN(C(=O)[O-])C2)CC1)NC1CC1 ZINC000740368317 602170072 /nfs/dbraw/zinc/17/00/72/602170072.db2.gz HGUNPXUQBFPLSB-CYBMUJFWSA-N -1 0 367.450 -0.018 20 0 FBADRM O=C(CN1CCN(C(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)CC1)NC1CC1 ZINC000740368320 602169899 /nfs/dbraw/zinc/16/98/99/602169899.db2.gz HGUNPXUQBFPLSB-ZDUSSCGKSA-N -1 0 367.450 -0.018 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NCCNC(=O)c1cccs1 ZINC000740368335 602993906 /nfs/dbraw/zinc/99/39/06/602993906.db2.gz HLGAMJOCFUNKNJ-UHFFFAOYSA-N -1 0 354.388 -0.584 20 0 FBADRM O=C(CN1CCN(C(=O)NCC2CCN(C(=O)[O-])CC2)CC1)NC1CC1 ZINC000740368440 602161639 /nfs/dbraw/zinc/16/16/39/602161639.db2.gz IGRGOOBDGNRCDB-UHFFFAOYSA-N -1 0 367.450 -0.018 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000740368758 603064092 /nfs/dbraw/zinc/06/40/92/603064092.db2.gz KNGWANKUMKMYSN-KBPBESRZSA-N -1 0 368.434 -0.744 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000740368759 603064107 /nfs/dbraw/zinc/06/41/07/603064107.db2.gz KNGWANKUMKMYSN-KGLIPLIRSA-N -1 0 368.434 -0.744 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000740368760 603064214 /nfs/dbraw/zinc/06/42/14/603064214.db2.gz KNGWANKUMKMYSN-UONOGXRCSA-N -1 0 368.434 -0.744 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000740368761 603064002 /nfs/dbraw/zinc/06/40/02/603064002.db2.gz KNGWANKUMKMYSN-ZIAGYGMSSA-N -1 0 368.434 -0.744 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 ZINC000740368791 603054189 /nfs/dbraw/zinc/05/41/89/603054189.db2.gz LXOFVTUUJLWCHA-JTQLQIEISA-N -1 0 368.419 -0.237 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 ZINC000740368792 603054497 /nfs/dbraw/zinc/05/44/97/603054497.db2.gz LXOFVTUUJLWCHA-SNVBAGLBSA-N -1 0 368.419 -0.237 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCc2ccnc(-n3ccnc3)c2)C(=O)C1 ZINC000740368804 603006348 /nfs/dbraw/zinc/00/63/48/603006348.db2.gz KXNAHGHSJLQXTP-UHFFFAOYSA-N -1 0 358.358 -0.294 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCc2nnc(-c3ccccc3)[nH]2)C(=O)C1 ZINC000740368948 603023972 /nfs/dbraw/zinc/02/39/72/603023972.db2.gz OBOKCBKFZKEOBE-UHFFFAOYSA-N -1 0 358.358 -0.090 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCCc2ccc3c(c2)OCCO3)C(=O)C1 ZINC000740368977 602985536 /nfs/dbraw/zinc/98/55/36/602985536.db2.gz OVVRNEWLQMRXLO-UHFFFAOYSA-N -1 0 363.370 -0.061 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCc2nccn2CC(F)(F)F)C(=O)C1 ZINC000740368979 603025291 /nfs/dbraw/zinc/02/52/91/603025291.db2.gz OWSKVMZIIHUXKI-UHFFFAOYSA-N -1 0 363.296 -0.116 20 0 FBADRM O=C([O-])N1CCN(CC(=O)Nc2cc(-n3cnnn3)ccc2F)C(=O)C1 ZINC000740368993 602995338 /nfs/dbraw/zinc/99/53/38/602995338.db2.gz PNSFIVNMRMABRQ-UHFFFAOYSA-N -1 0 363.309 -0.438 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NCCCN1CCCCCC1=O ZINC000740369000 602985360 /nfs/dbraw/zinc/98/53/60/602985360.db2.gz JRBHNBZNLDYWCM-UHFFFAOYSA-N -1 0 354.407 -0.283 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N[C@@H]2CCCc3c2cnn3CCO)C(=O)C1 ZINC000740369066 603102324 /nfs/dbraw/zinc/10/23/24/603102324.db2.gz KRVUDVOZTMKZHO-GFCCVEGCSA-N -1 0 365.390 -0.809 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N[C@H]2CCCc3c2cnn3CCO)C(=O)C1 ZINC000740369068 603101982 /nfs/dbraw/zinc/10/19/82/603101982.db2.gz KRVUDVOZTMKZHO-LBPRGKRZSA-N -1 0 365.390 -0.809 20 0 FBADRM O=C(CN1CCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1)NC1CC1 ZINC000740369092 602829981 /nfs/dbraw/zinc/82/99/81/602829981.db2.gz LDUZGTCFIPIOAS-AWEZNQCLSA-N -1 0 368.434 -0.432 20 0 FBADRM O=C(CN1CCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1)NC1CC1 ZINC000740369094 602829678 /nfs/dbraw/zinc/82/96/78/602829678.db2.gz LDUZGTCFIPIOAS-CQSZACIVSA-N -1 0 368.434 -0.432 20 0 FBADRM O=C([O-])N1CC(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)C1 ZINC000740369117 604765889 /nfs/dbraw/zinc/76/58/89/604765889.db2.gz PAUSPXARTWRVBF-KRWDZBQOSA-N -1 0 358.354 -0.142 20 0 FBADRM O=C([O-])N1CC(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)C1 ZINC000740369120 604766023 /nfs/dbraw/zinc/76/60/23/604766023.db2.gz PAUSPXARTWRVBF-QGZVFWFLSA-N -1 0 358.354 -0.142 20 0 FBADRM O=C([O-])N1CC[C@H](C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)C1 ZINC000740369461 603311861 /nfs/dbraw/zinc/31/18/61/603311861.db2.gz MSNHBNWLGQKXFE-JTQLQIEISA-N -1 0 368.419 -0.379 20 0 FBADRM O=C([O-])N1CC[C@@H](C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)C1 ZINC000740369463 603311991 /nfs/dbraw/zinc/31/19/91/603311991.db2.gz MSNHBNWLGQKXFE-SNVBAGLBSA-N -1 0 368.419 -0.379 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCc2nncn2-c2ccccc2)C(=O)C1 ZINC000740369489 602993901 /nfs/dbraw/zinc/99/39/01/602993901.db2.gz PWHAKYVGTFUABV-UHFFFAOYSA-N -1 0 358.358 -0.294 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCc2ccc(-n3ccnc3)nc2)C(=O)C1 ZINC000740369510 602988398 /nfs/dbraw/zinc/98/83/98/602988398.db2.gz QHJQWHSQUKUJOT-UHFFFAOYSA-N -1 0 358.358 -0.294 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCc2ccc(Cn3cncn3)cc2)C(=O)C1 ZINC000740369638 602988936 /nfs/dbraw/zinc/98/89/36/602988936.db2.gz RXUNPESKUWRKKR-UHFFFAOYSA-N -1 0 372.385 -0.235 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C(=O)C1 ZINC000740369645 603026776 /nfs/dbraw/zinc/02/67/76/603026776.db2.gz SBIVUGYNRHIKSQ-UHFFFAOYSA-N -1 0 359.346 -0.695 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCc2cccnc2-n2cccn2)C(=O)C1 ZINC000740369700 603015869 /nfs/dbraw/zinc/01/58/69/603015869.db2.gz TVIIURGKDFZMJQ-UHFFFAOYSA-N -1 0 358.358 -0.294 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCc2ccnc(-n3cccn3)c2)C(=O)C1 ZINC000740369701 603016254 /nfs/dbraw/zinc/01/62/54/603016254.db2.gz TWBHGDBCDXOYRY-UHFFFAOYSA-N -1 0 358.358 -0.294 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NCC1N=NC(=S)N1C1CC1 ZINC000740369729 603025332 /nfs/dbraw/zinc/02/53/32/603025332.db2.gz UXJQRYPDFJJCAZ-UHFFFAOYSA-N -1 0 354.392 -0.660 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCC(=O)N2CCc3ccccc32)C(=O)C1 ZINC000740369758 603000546 /nfs/dbraw/zinc/00/05/46/603000546.db2.gz OBYFATHJZZVSCG-UHFFFAOYSA-N -1 0 360.370 -0.486 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCC(=O)N2CCCc3ccccc32)C(=O)C1 ZINC000740369762 602997297 /nfs/dbraw/zinc/99/72/97/602997297.db2.gz OLEGUSNCEVHPQR-UHFFFAOYSA-N -1 0 374.397 -0.096 20 0 FBADRM O=C(CN1CCN(C(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)CC1)NC1CC1 ZINC000740369765 602719838 /nfs/dbraw/zinc/71/98/38/602719838.db2.gz OPMFXGLGXLHLKB-CYBMUJFWSA-N -1 0 367.450 -0.018 20 0 FBADRM O=C(CN1CCN(C(=O)NCC[C@H]2CCN(C(=O)[O-])C2)CC1)NC1CC1 ZINC000740369766 602719886 /nfs/dbraw/zinc/71/98/86/602719886.db2.gz OPMFXGLGXLHLKB-ZDUSSCGKSA-N -1 0 367.450 -0.018 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCc2ccccc2Cn2cncn2)C(=O)C1 ZINC000740369881 603015915 /nfs/dbraw/zinc/01/59/15/603015915.db2.gz VFVONBARQRWUGX-UHFFFAOYSA-N -1 0 372.385 -0.235 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCc2cccc(-n3cncn3)c2)C(=O)C1 ZINC000740369885 603008591 /nfs/dbraw/zinc/00/85/91/603008591.db2.gz VHHAWAYUCPLUBV-UHFFFAOYSA-N -1 0 358.358 -0.294 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCc2nnnn2-c2ccccc2)C(=O)C1 ZINC000740369897 603002818 /nfs/dbraw/zinc/00/28/18/603002818.db2.gz VMEJUNTXQDDBLJ-UHFFFAOYSA-N -1 0 359.346 -0.899 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NCCc1nnc2n1CCCCC2 ZINC000740369899 603015985 /nfs/dbraw/zinc/01/59/85/603015985.db2.gz VMEPYXIESOXCQD-UHFFFAOYSA-N -1 0 364.406 -0.515 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NC[C@@H](O)COc2cccc(F)c2)C(=O)C1 ZINC000740369927 603101862 /nfs/dbraw/zinc/10/18/62/603101862.db2.gz QDFDNOPKWMDTBJ-GFCCVEGCSA-N -1 0 369.349 -0.496 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NC[C@H](O)COc2cccc(F)c2)C(=O)C1 ZINC000740369929 603101900 /nfs/dbraw/zinc/10/19/00/603101900.db2.gz QDFDNOPKWMDTBJ-LBPRGKRZSA-N -1 0 369.349 -0.496 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCc2ccc(-n3cncn3)cc2)C(=O)C1 ZINC000740369971 602993959 /nfs/dbraw/zinc/99/39/59/602993959.db2.gz XNRXDULIDPGGJR-UHFFFAOYSA-N -1 0 358.358 -0.294 20 0 FBADRM O=C(CN1CCN(C(=O)NC[C@H]2CCCN2C(=O)[O-])CC1)NC1CC1 ZINC000740369990 602617346 /nfs/dbraw/zinc/61/73/46/602617346.db2.gz QZUCSDFKTITKPG-CYBMUJFWSA-N -1 0 353.423 -0.265 20 0 FBADRM O=C(CN1CCN(C(=O)NC[C@@H]2CCCN2C(=O)[O-])CC1)NC1CC1 ZINC000740369992 602617503 /nfs/dbraw/zinc/61/75/03/602617503.db2.gz QZUCSDFKTITKPG-ZDUSSCGKSA-N -1 0 353.423 -0.265 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)C(=O)C1 ZINC000740370243 603031206 /nfs/dbraw/zinc/03/12/06/603031206.db2.gz RDUVEWWMKFGTKA-LLVKDONJSA-N -1 0 367.383 -0.547 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N[C@H]2CS(=O)(=O)c3ccccc32)C(=O)C1 ZINC000740370244 603031134 /nfs/dbraw/zinc/03/11/34/603031134.db2.gz RDUVEWWMKFGTKA-NSHDSACASA-N -1 0 367.383 -0.547 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCCNC(=O)c2ccc(O)cc2)C(=O)C1 ZINC000740370255 603102091 /nfs/dbraw/zinc/10/20/91/603102091.db2.gz RSAVOJIRRYKEJQ-UHFFFAOYSA-N -1 0 364.358 -0.940 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NC2CCN(c3ncccn3)CC2)C(=O)C1 ZINC000740370257 602993963 /nfs/dbraw/zinc/99/39/63/602993963.db2.gz RUQOWPLHSRRBNU-UHFFFAOYSA-N -1 0 362.390 -0.616 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NCCC(=O)NC1CCCCC1 ZINC000740370260 602997291 /nfs/dbraw/zinc/99/72/91/602997291.db2.gz RWDGREBFIJORCD-UHFFFAOYSA-N -1 0 354.407 -0.236 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NCCCNC(=O)c1cccs1 ZINC000740370276 602998539 /nfs/dbraw/zinc/99/85/39/602998539.db2.gz SDXHWBPWAITDLP-UHFFFAOYSA-N -1 0 368.415 -0.194 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NCCC(=O)N1CCCCCC1 ZINC000740370345 603021869 /nfs/dbraw/zinc/02/18/69/603021869.db2.gz UDRWCQVRWIRQBH-UHFFFAOYSA-N -1 0 354.407 -0.283 20 0 FBADRM O=C(CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O)NCC(F)(F)F ZINC000740370367 603295991 /nfs/dbraw/zinc/29/59/91/603295991.db2.gz VYCLWYMPZPDKEV-UHFFFAOYSA-N -1 0 352.269 -0.271 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NCCN1C(=O)c2ccccc2C1=O ZINC000740370372 602997005 /nfs/dbraw/zinc/99/70/05/602997005.db2.gz UPYCCUIMQSSUAO-UHFFFAOYSA-N -1 0 374.353 -0.779 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000740370491 602828303 /nfs/dbraw/zinc/82/83/03/602828303.db2.gz YDNYNTRSRXFMFS-CYBMUJFWSA-N -1 0 354.407 -0.868 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000740370492 602828424 /nfs/dbraw/zinc/82/84/24/602828424.db2.gz YDNYNTRSRXFMFS-ZDUSSCGKSA-N -1 0 354.407 -0.868 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NCCOc1ccc2c(c1)OCO2 ZINC000740370619 602993962 /nfs/dbraw/zinc/99/39/62/602993962.db2.gz WUIZSAHVEWJRQG-UHFFFAOYSA-N -1 0 365.342 -0.268 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NC2CCN(c3ccccn3)CC2)C(=O)C1 ZINC000740370691 602994054 /nfs/dbraw/zinc/99/40/54/602994054.db2.gz ZFXLYXKHLAKAPP-UHFFFAOYSA-N -1 0 361.402 -0.011 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCC(=O)Nc2cccc(F)c2)C(=O)C1 ZINC000740370692 602998468 /nfs/dbraw/zinc/99/84/68/602998468.db2.gz ZIAZGCUFTQEXMG-UHFFFAOYSA-N -1 0 352.322 -0.297 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCC[S@@](=O)Cc2ccccc2)C(=O)C1 ZINC000740370709 603009495 /nfs/dbraw/zinc/00/94/95/603009495.db2.gz ZKVSDVJCGXQTDK-RUZDIDTESA-N -1 0 367.427 -0.126 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCC[S@](=O)Cc2ccccc2)C(=O)C1 ZINC000740370710 603009794 /nfs/dbraw/zinc/00/97/94/603009794.db2.gz ZKVSDVJCGXQTDK-VWLOTQADSA-N -1 0 367.427 -0.126 20 0 FBADRM O=C(CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O)NC[C@@H]1CCCO1 ZINC000740370765 603295965 /nfs/dbraw/zinc/29/59/65/603295965.db2.gz YDYCTBJVTRPDCI-JTQLQIEISA-N -1 0 354.363 -0.654 20 0 FBADRM O=C(CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O)NC[C@H]1CCCO1 ZINC000740370766 603295773 /nfs/dbraw/zinc/29/57/73/603295773.db2.gz YDYCTBJVTRPDCI-SNVBAGLBSA-N -1 0 354.363 -0.654 20 0 FBADRM O=C([O-])N1CCN(CC(=O)Nc2cccnc2N2CCOCC2)C(=O)C1 ZINC000740370856 602997115 /nfs/dbraw/zinc/99/71/15/602997115.db2.gz AXUSFSWHXXZWOP-UHFFFAOYSA-N -1 0 363.374 -0.321 20 0 FBADRM O=C([O-])N1CCN(CC(=O)OCC(=O)c2ccc3c(c2)OCO3)C(=O)C1 ZINC000740370960 603109876 /nfs/dbraw/zinc/10/98/76/603109876.db2.gz GVEQBAXEWWOSOB-UHFFFAOYSA-N -1 0 364.310 -0.037 20 0 FBADRM O=C([O-])N1CCN(CC(=O)Nc2ccc(N3CCOCC3)cn2)C(=O)C1 ZINC000740371086 603001866 /nfs/dbraw/zinc/00/18/66/603001866.db2.gz LXHNNEXMAOPTJJ-UHFFFAOYSA-N -1 0 363.374 -0.321 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)Nc1cccc(N2CCNC2=O)c1 ZINC000740371108 602993851 /nfs/dbraw/zinc/99/38/51/602993851.db2.gz MXJCMRMFFFZJBZ-UHFFFAOYSA-N -1 0 361.358 -0.023 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)O[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000740371136 603111647 /nfs/dbraw/zinc/11/16/47/603111647.db2.gz OKFOTIYHUFJOGL-MRVPVSSYSA-N -1 0 367.280 -0.485 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)O[C@H]1CCN(CC(F)(F)F)C1=O ZINC000740371137 603111968 /nfs/dbraw/zinc/11/19/68/603111968.db2.gz OKFOTIYHUFJOGL-QMMMGPOBSA-N -1 0 367.280 -0.485 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000740371231 603001437 /nfs/dbraw/zinc/00/14/37/603001437.db2.gz SQTHVAKFESJURW-GFCCVEGCSA-N -1 0 351.363 -0.177 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000740371232 603001701 /nfs/dbraw/zinc/00/17/01/603001701.db2.gz SQTHVAKFESJURW-LBPRGKRZSA-N -1 0 351.363 -0.177 20 0 FBADRM O=C([O-])N1CCN(CC(=O)OCC(=O)N2CCc3ccccc32)C(=O)C1 ZINC000740371270 603000491 /nfs/dbraw/zinc/00/04/91/603000491.db2.gz URISJKVKPWTSLI-UHFFFAOYSA-N -1 0 361.354 -0.059 20 0 FBADRM O=C([O-])N1CCN(CC(=O)OCCc2nnnn2-c2ccccc2)C(=O)C1 ZINC000740372300 603108099 /nfs/dbraw/zinc/10/80/99/603108099.db2.gz AENPADPLLHPXGC-UHFFFAOYSA-N -1 0 374.357 -0.430 20 0 FBADRM O=C([O-])N1CCN(CC(=O)OCc2nnnn2-c2ccccc2)C(=O)C1 ZINC000740372465 603109945 /nfs/dbraw/zinc/10/99/45/603109945.db2.gz DPSADIPAZYOYEK-UHFFFAOYSA-N -1 0 360.330 -0.472 20 0 FBADRM O=C([O-])N1CSC[C@@H]1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000740372506 602346746 /nfs/dbraw/zinc/34/67/46/602346746.db2.gz FBGMESDRSDOGRZ-GFCCVEGCSA-N -1 0 356.448 -0.194 20 0 FBADRM O=C([O-])N1CCCC[C@H]1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000740372923 602493183 /nfs/dbraw/zinc/49/31/83/602493183.db2.gz HBFOLLLYYUTVMC-AWEZNQCLSA-N -1 0 368.434 -0.478 20 0 FBADRM O=C([O-])N1CCCC[C@@H]1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000740372927 602493335 /nfs/dbraw/zinc/49/33/35/602493335.db2.gz HBFOLLLYYUTVMC-CQSZACIVSA-N -1 0 368.434 -0.478 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)CNC(=O)OCC(F)(F)F)CC1 ZINC000740373132 602493336 /nfs/dbraw/zinc/49/33/36/602493336.db2.gz DNIWOOYAXGOQMD-UHFFFAOYSA-N -1 0 356.301 -0.313 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)CNC(=O)c2ccc(O)cc2)CC1 ZINC000740373341 602064528 /nfs/dbraw/zinc/06/45/28/602064528.db2.gz DUOQMESOYCRNRX-UHFFFAOYSA-N -1 0 364.402 -0.076 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)CNC(=O)c2ccc(O)cc2)CC1 ZINC000740373343 602064402 /nfs/dbraw/zinc/06/44/02/602064402.db2.gz DVNURYBHRAWHKP-UHFFFAOYSA-N -1 0 364.358 -0.940 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)CNC(=O)OCC(F)(F)F)CC1 ZINC000740373479 602493792 /nfs/dbraw/zinc/49/37/92/602493792.db2.gz IEHWGGYLKRUVSZ-UHFFFAOYSA-N -1 0 370.284 -0.787 20 0 FBADRM O=C([O-])N1CSC[C@@H]1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000740373538 602346713 /nfs/dbraw/zinc/34/67/13/602346713.db2.gz KADXNNMJDUHYDD-GFCCVEGCSA-N -1 0 372.447 -0.958 20 0 FBADRM O=C([O-])N1CCN(CC(=O)OCCNC(=O)c2ccncc2)C(=O)C1 ZINC000740373579 603144268 /nfs/dbraw/zinc/14/42/68/603144268.db2.gz MBQUPIBZNHVJRM-UHFFFAOYSA-N -1 0 350.331 -0.823 20 0 FBADRM O=C([O-])N1CSC[C@@H]1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000740374151 602361859 /nfs/dbraw/zinc/36/18/59/602361859.db2.gz QFJDOSOJKJHLHA-GFCCVEGCSA-N -1 0 372.447 -0.958 20 0 FBADRM O=C([O-])N1CCN(CC(=O)OCc2cc(=O)n3ccsc3n2)C(=O)C1 ZINC000740374237 602995743 /nfs/dbraw/zinc/99/57/43/602995743.db2.gz RHHIQSUKVXQNAT-UHFFFAOYSA-N -1 0 366.355 -0.379 20 0 FBADRM O=C([O-])N1CCN(CC(=O)OCc2cc(=O)n3ccccc3n2)C(=O)C1 ZINC000740374837 602995852 /nfs/dbraw/zinc/99/58/52/602995852.db2.gz VDQISZURWUBLPF-UHFFFAOYSA-N -1 0 360.326 -0.440 20 0 FBADRM O=C([O-])N1CCN(CC(=O)OCc2nnnn2Cc2ccccc2)C(=O)C1 ZINC000740374850 603108431 /nfs/dbraw/zinc/10/84/31/603108431.db2.gz VMYSEFAJBNXDKV-UHFFFAOYSA-N -1 0 374.357 -0.413 20 0 FBADRM O=C([O-])N1CCCC[C@H]1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000740374943 602495762 /nfs/dbraw/zinc/49/57/62/602495762.db2.gz WGBBYWUMMFPMDP-AWEZNQCLSA-N -1 0 368.434 -0.478 20 0 FBADRM O=C([O-])N1CCCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000740374946 602495498 /nfs/dbraw/zinc/49/54/98/602495498.db2.gz WGBBYWUMMFPMDP-CQSZACIVSA-N -1 0 368.434 -0.478 20 0 FBADRM O=C([O-])N1CCN(CC(=O)OCc2nc(-c3cccnc3)no2)C(=O)C1 ZINC000740375257 603006949 /nfs/dbraw/zinc/00/69/49/603006949.db2.gz YVYVELMHEIVSEF-UHFFFAOYSA-N -1 0 361.314 -0.003 20 0 FBADRM O=C([O-])N1CCN(CC(=O)OCCn2cnc3ccccc3c2=O)C(=O)C1 ZINC000740375295 603111979 /nfs/dbraw/zinc/11/19/79/603111979.db2.gz ZYTOAXLYPOMSIR-UHFFFAOYSA-N -1 0 374.353 -0.238 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)NCC(=O)c1cccs1 ZINC000740375542 603146441 /nfs/dbraw/zinc/14/64/41/603146441.db2.gz DPIRMYMKLATZRP-BDAKNGLRSA-N -1 0 356.356 -0.297 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)NCC(=O)c1cccs1 ZINC000740375544 603146397 /nfs/dbraw/zinc/14/63/97/603146397.db2.gz DPIRMYMKLATZRP-DTWKUNHWSA-N -1 0 356.356 -0.297 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)NCC(=O)c1cccs1 ZINC000740375546 603146555 /nfs/dbraw/zinc/14/65/55/603146555.db2.gz DPIRMYMKLATZRP-IUCAKERBSA-N -1 0 356.356 -0.297 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)NCC(=O)c1cccs1 ZINC000740375548 603146445 /nfs/dbraw/zinc/14/64/45/603146445.db2.gz DPIRMYMKLATZRP-RKDXNWHRSA-N -1 0 356.356 -0.297 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)CNC(=O)c2ccc(O)cc2)CC1 ZINC000740375608 602064076 /nfs/dbraw/zinc/06/40/76/602064076.db2.gz YUGKEHWIOBKSNU-UHFFFAOYSA-N -1 0 350.375 -0.466 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCC(=O)NCCc2ccccc2)C(=O)C1 ZINC000740375712 602998506 /nfs/dbraw/zinc/99/85/06/602998506.db2.gz AKLKJYAVWPODRD-UHFFFAOYSA-N -1 0 362.386 -0.716 20 0 FBADRM O=C(CNC(=O)CC1CCN(C(=O)[O-])CC1)NCCN1CCOCC1 ZINC000740376423 602450135 /nfs/dbraw/zinc/45/01/35/602450135.db2.gz FESCXAKBWVCERQ-UHFFFAOYSA-N -1 0 356.423 -0.669 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)NC(=O)NC1CCCCC1 ZINC000740376691 603147623 /nfs/dbraw/zinc/14/76/23/603147623.db2.gz JMEHYXANHAQDTB-GHMZBOCLSA-N -1 0 357.363 -0.199 20 0 FBADRM O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])NC(=O)NC1CCCCC1 ZINC000740376694 603147688 /nfs/dbraw/zinc/14/76/88/603147688.db2.gz JMEHYXANHAQDTB-MNOVXSKESA-N -1 0 357.363 -0.199 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)NC(=O)NC1CCCCC1 ZINC000740376696 603147715 /nfs/dbraw/zinc/14/77/15/603147715.db2.gz JMEHYXANHAQDTB-QWRGUYRKSA-N -1 0 357.363 -0.199 20 0 FBADRM O=C(COC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])NC(=O)NC1CCCCC1 ZINC000740376698 603147690 /nfs/dbraw/zinc/14/76/90/603147690.db2.gz JMEHYXANHAQDTB-WDEREUQCSA-N -1 0 357.363 -0.199 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)NC(=O)NCc1ccccc1 ZINC000740376699 603145381 /nfs/dbraw/zinc/14/53/81/603145381.db2.gz JMQVZQRHYLAOKK-NEPJUHHUSA-N -1 0 365.342 -0.331 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)NC(=O)NCc1ccccc1 ZINC000740376700 603145399 /nfs/dbraw/zinc/14/53/99/603145399.db2.gz JMQVZQRHYLAOKK-NWDGAFQWSA-N -1 0 365.342 -0.331 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)NC(=O)NCc1ccccc1 ZINC000740376701 603145173 /nfs/dbraw/zinc/14/51/73/603145173.db2.gz JMQVZQRHYLAOKK-RYUDHWBXSA-N -1 0 365.342 -0.331 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)NC(=O)NCc1ccccc1 ZINC000740376703 603145414 /nfs/dbraw/zinc/14/54/14/603145414.db2.gz JMQVZQRHYLAOKK-VXGBXAGGSA-N -1 0 365.342 -0.331 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 ZINC000740376708 603162999 /nfs/dbraw/zinc/16/29/99/603162999.db2.gz JNPSOEAWJSXUGZ-GHMZBOCLSA-N -1 0 366.326 -0.312 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 ZINC000740376710 603163088 /nfs/dbraw/zinc/16/30/88/603163088.db2.gz JNPSOEAWJSXUGZ-MNOVXSKESA-N -1 0 366.326 -0.312 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 ZINC000740376713 603162814 /nfs/dbraw/zinc/16/28/14/603162814.db2.gz JNPSOEAWJSXUGZ-QWRGUYRKSA-N -1 0 366.326 -0.312 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 ZINC000740376714 603162817 /nfs/dbraw/zinc/16/28/17/603162817.db2.gz JNPSOEAWJSXUGZ-WDEREUQCSA-N -1 0 366.326 -0.312 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)NCCOc1ccc(F)cc1 ZINC000740376922 603158710 /nfs/dbraw/zinc/15/87/10/603158710.db2.gz JZIVWWLGDAURKW-AAEUAGOBSA-N -1 0 370.333 -0.023 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)NCCOc1ccc(F)cc1 ZINC000740376924 603158655 /nfs/dbraw/zinc/15/86/55/603158655.db2.gz JZIVWWLGDAURKW-DGCLKSJQSA-N -1 0 370.333 -0.023 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)NCCOc1ccc(F)cc1 ZINC000740376927 603158705 /nfs/dbraw/zinc/15/87/05/603158705.db2.gz JZIVWWLGDAURKW-WCQYABFASA-N -1 0 370.333 -0.023 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)NCCOc1ccc(F)cc1 ZINC000740376930 603158691 /nfs/dbraw/zinc/15/86/91/603158691.db2.gz JZIVWWLGDAURKW-YPMHNXCESA-N -1 0 370.333 -0.023 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000740376971 603156357 /nfs/dbraw/zinc/15/63/57/603156357.db2.gz KEYSABSSLLIXKS-AGIUHOORSA-N -1 0 364.354 -0.237 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000740376974 603156467 /nfs/dbraw/zinc/15/64/67/603156467.db2.gz KEYSABSSLLIXKS-AVGNSLFASA-N -1 0 364.354 -0.237 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000740376978 603156181 /nfs/dbraw/zinc/15/61/81/603156181.db2.gz KEYSABSSLLIXKS-UPJWGTAASA-N -1 0 364.354 -0.237 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000740376981 603156433 /nfs/dbraw/zinc/15/64/33/603156433.db2.gz KEYSABSSLLIXKS-XQQFMLRXSA-N -1 0 364.354 -0.237 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)NC(=O)NCC(F)(F)F ZINC000740377052 603163060 /nfs/dbraw/zinc/16/30/60/603163060.db2.gz KRTUYXMLUXQDBV-NTSWFWBYSA-N -1 0 357.241 -0.969 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)NC(=O)NCC(F)(F)F ZINC000740377055 603162937 /nfs/dbraw/zinc/16/29/37/603162937.db2.gz KRTUYXMLUXQDBV-PHDIDXHHSA-N -1 0 357.241 -0.969 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)NC(=O)NCC(F)(F)F ZINC000740377058 603162851 /nfs/dbraw/zinc/16/28/51/603162851.db2.gz KRTUYXMLUXQDBV-RITPCOANSA-N -1 0 357.241 -0.969 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)NC(=O)NCC(F)(F)F ZINC000740377061 603163127 /nfs/dbraw/zinc/16/31/27/603163127.db2.gz KRTUYXMLUXQDBV-WDSKDSINSA-N -1 0 357.241 -0.969 20 0 FBADRM O=C(CNC(=O)[C@H]1COCCN1C(=O)[O-])Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000740377448 602839599 /nfs/dbraw/zinc/83/95/99/602839599.db2.gz JWMLRSLKZCDDHE-LLVKDONJSA-N -1 0 363.330 -0.298 20 0 FBADRM O=C(CNC(=O)[C@@H]1COCCN1C(=O)[O-])Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000740377449 602839435 /nfs/dbraw/zinc/83/94/35/602839435.db2.gz JWMLRSLKZCDDHE-NSHDSACASA-N -1 0 363.330 -0.298 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)NC(=O)NCc1cccs1 ZINC000740377756 603155010 /nfs/dbraw/zinc/15/50/10/603155010.db2.gz MPXUDSUDAPXJEJ-PSASIEDQSA-N -1 0 371.371 -0.270 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)NC(=O)NCc1cccs1 ZINC000740377758 603155129 /nfs/dbraw/zinc/15/51/29/603155129.db2.gz MPXUDSUDAPXJEJ-SCZZXKLOSA-N -1 0 371.371 -0.270 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)NC(=O)NCc1cccs1 ZINC000740377760 603155277 /nfs/dbraw/zinc/15/52/77/603155277.db2.gz MPXUDSUDAPXJEJ-WCBMZHEXSA-N -1 0 371.371 -0.270 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)NC(=O)NCc1cccs1 ZINC000740377761 603155142 /nfs/dbraw/zinc/15/51/42/603155142.db2.gz MPXUDSUDAPXJEJ-WPRPVWTQSA-N -1 0 371.371 -0.270 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)NC(=O)NCc1ccco1 ZINC000740377806 603146461 /nfs/dbraw/zinc/14/64/61/603146461.db2.gz NDNCGWNBCVWROK-PSASIEDQSA-N -1 0 355.303 -0.738 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)NC(=O)NCc1ccco1 ZINC000740377808 603146494 /nfs/dbraw/zinc/14/64/94/603146494.db2.gz NDNCGWNBCVWROK-SCZZXKLOSA-N -1 0 355.303 -0.738 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)NC(=O)NCc1ccco1 ZINC000740377810 603146447 /nfs/dbraw/zinc/14/64/47/603146447.db2.gz NDNCGWNBCVWROK-WCBMZHEXSA-N -1 0 355.303 -0.738 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)NC(=O)NCc1ccco1 ZINC000740377811 603146470 /nfs/dbraw/zinc/14/64/70/603146470.db2.gz NDNCGWNBCVWROK-WPRPVWTQSA-N -1 0 355.303 -0.738 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)NCC(=O)Nc2cccnc2)CC1 ZINC000740377925 602186233 /nfs/dbraw/zinc/18/62/33/602186233.db2.gz KUPXUADJVJBMEG-UHFFFAOYSA-N -1 0 350.379 -0.385 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCC(=O)Nc2cccnc2)CC1 ZINC000740377928 602019272 /nfs/dbraw/zinc/01/92/72/602019272.db2.gz KYBRZQZUMCMABZ-UHFFFAOYSA-N -1 0 364.362 -0.859 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)NCC(=O)c1ccccc1 ZINC000740378261 603153358 /nfs/dbraw/zinc/15/33/58/603153358.db2.gz OOAWJIZOCDYIKD-NEPJUHHUSA-N -1 0 350.327 -0.358 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)NCC(=O)c1ccccc1 ZINC000740378265 603153290 /nfs/dbraw/zinc/15/32/90/603153290.db2.gz OOAWJIZOCDYIKD-NWDGAFQWSA-N -1 0 350.327 -0.358 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)NCC(=O)c1ccccc1 ZINC000740378269 603153315 /nfs/dbraw/zinc/15/33/15/603153315.db2.gz OOAWJIZOCDYIKD-RYUDHWBXSA-N -1 0 350.327 -0.358 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)NCC(=O)c1ccccc1 ZINC000740378272 603153126 /nfs/dbraw/zinc/15/31/26/603153126.db2.gz OOAWJIZOCDYIKD-VXGBXAGGSA-N -1 0 350.327 -0.358 20 0 FBADRM O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NC1CN(C(=O)[O-])C1 ZINC000740378630 604767906 /nfs/dbraw/zinc/76/79/06/604767906.db2.gz PEYJXKZGBBZMMD-HNNXBMFYSA-N -1 0 372.381 -0.060 20 0 FBADRM O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NC1CN(C(=O)[O-])C1 ZINC000740378637 604768117 /nfs/dbraw/zinc/76/81/17/604768117.db2.gz PEYJXKZGBBZMMD-OAHLLOKOSA-N -1 0 372.381 -0.060 20 0 FBADRM O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])NC1CCC2(CC1)OCCO2 ZINC000740378730 603146411 /nfs/dbraw/zinc/14/64/11/603146411.db2.gz PZTKXHVMWZODEG-NEPJUHHUSA-N -1 0 372.374 -0.555 20 0 FBADRM O=C(COC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])NC1CCC2(CC1)OCCO2 ZINC000740378738 603146484 /nfs/dbraw/zinc/14/64/84/603146484.db2.gz PZTKXHVMWZODEG-NWDGAFQWSA-N -1 0 372.374 -0.555 20 0 FBADRM O=C(COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])NC1CCC2(CC1)OCCO2 ZINC000740378740 603146521 /nfs/dbraw/zinc/14/65/21/603146521.db2.gz PZTKXHVMWZODEG-RYUDHWBXSA-N -1 0 372.374 -0.555 20 0 FBADRM O=C(COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])NC1CCC2(CC1)OCCO2 ZINC000740378741 603146491 /nfs/dbraw/zinc/14/64/91/603146491.db2.gz PZTKXHVMWZODEG-VXGBXAGGSA-N -1 0 372.374 -0.555 20 0 FBADRM O=C(COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])Nc1nnc([C@@H]2CCCO2)o1 ZINC000740379080 603153159 /nfs/dbraw/zinc/15/31/59/603153159.db2.gz RIQZEUJVBJLISU-CIUDSAMLSA-N -1 0 370.318 -0.484 20 0 FBADRM O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])Nc1nnc([C@H]2CCCO2)o1 ZINC000740379083 603153229 /nfs/dbraw/zinc/15/32/29/603153229.db2.gz RIQZEUJVBJLISU-HRDYMLBCSA-N -1 0 370.318 -0.484 20 0 FBADRM O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])Nc1nnc([C@@H]2CCCO2)o1 ZINC000740379085 603153346 /nfs/dbraw/zinc/15/33/46/603153346.db2.gz RIQZEUJVBJLISU-VGMNWLOBSA-N -1 0 370.318 -0.484 20 0 FBADRM O=C(COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])Nc1nnc([C@H]2CCCO2)o1 ZINC000740379087 603153116 /nfs/dbraw/zinc/15/31/16/603153116.db2.gz RIQZEUJVBJLISU-XHNCKOQMSA-N -1 0 370.318 -0.484 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000740379168 603155353 /nfs/dbraw/zinc/15/53/53/603155353.db2.gz RRQKVFDNONMEMF-GZMMTYOYSA-N -1 0 364.314 -0.137 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000740379170 603154998 /nfs/dbraw/zinc/15/49/98/603154998.db2.gz RRQKVFDNONMEMF-KCJUWKMLSA-N -1 0 364.314 -0.137 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000740379172 603155232 /nfs/dbraw/zinc/15/52/32/603155232.db2.gz RRQKVFDNONMEMF-KWQFWETISA-N -1 0 364.314 -0.137 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000740379173 603155176 /nfs/dbraw/zinc/15/51/76/603155176.db2.gz RRQKVFDNONMEMF-LDYMZIIASA-N -1 0 364.314 -0.137 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)NCCOc1cccc(F)c1 ZINC000740379870 603143250 /nfs/dbraw/zinc/14/32/50/603143250.db2.gz UZNQHKXUSUJZQS-AAEUAGOBSA-N -1 0 370.333 -0.023 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)NCCOc1cccc(F)c1 ZINC000740379872 603143909 /nfs/dbraw/zinc/14/39/09/603143909.db2.gz UZNQHKXUSUJZQS-DGCLKSJQSA-N -1 0 370.333 -0.023 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)NCCOc1cccc(F)c1 ZINC000740379875 603143897 /nfs/dbraw/zinc/14/38/97/603143897.db2.gz UZNQHKXUSUJZQS-WCQYABFASA-N -1 0 370.333 -0.023 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)NCCOc1cccc(F)c1 ZINC000740379878 603143970 /nfs/dbraw/zinc/14/39/70/603143970.db2.gz UZNQHKXUSUJZQS-YPMHNXCESA-N -1 0 370.333 -0.023 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)NC(=O)Nc1ccccc1 ZINC000740379990 603145211 /nfs/dbraw/zinc/14/52/11/603145211.db2.gz WEJUEVINPNIOGB-GHMZBOCLSA-N -1 0 351.315 -0.009 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)NC(=O)Nc1ccccc1 ZINC000740380089 603145351 /nfs/dbraw/zinc/14/53/51/603145351.db2.gz WEJUEVINPNIOGB-MNOVXSKESA-N -1 0 351.315 -0.009 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)NC(=O)Nc1ccccc1 ZINC000740380090 603145365 /nfs/dbraw/zinc/14/53/65/603145365.db2.gz WEJUEVINPNIOGB-QWRGUYRKSA-N -1 0 351.315 -0.009 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)NC(=O)Nc1ccccc1 ZINC000740380093 603145179 /nfs/dbraw/zinc/14/51/79/603145179.db2.gz WEJUEVINPNIOGB-WDEREUQCSA-N -1 0 351.315 -0.009 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)NCCOc1ccccc1 ZINC000740380388 603151951 /nfs/dbraw/zinc/15/19/51/603151951.db2.gz ZDQXCWULRZHZQW-AAEUAGOBSA-N -1 0 352.343 -0.162 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)NCCOc1ccccc1 ZINC000740380389 603151941 /nfs/dbraw/zinc/15/19/41/603151941.db2.gz ZDQXCWULRZHZQW-DGCLKSJQSA-N -1 0 352.343 -0.162 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)NCCOc1ccccc1 ZINC000740380390 603151837 /nfs/dbraw/zinc/15/18/37/603151837.db2.gz ZDQXCWULRZHZQW-WCQYABFASA-N -1 0 352.343 -0.162 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)NCCOc1ccccc1 ZINC000740380391 603152077 /nfs/dbraw/zinc/15/20/77/603152077.db2.gz ZDQXCWULRZHZQW-YPMHNXCESA-N -1 0 352.343 -0.162 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)CN2Cc3ccccc3C2=O)CC1 ZINC000740380499 602674463 /nfs/dbraw/zinc/67/44/63/602674463.db2.gz YLAJJEVNIBNCIB-UHFFFAOYSA-N -1 0 360.370 -0.419 20 0 FBADRM O=C(COC(=O)CN1CCN(C(=O)[O-])CC1=O)NCc1cccs1 ZINC000740381535 603108500 /nfs/dbraw/zinc/10/85/00/603108500.db2.gz ITVLRWABNRZQTR-UHFFFAOYSA-N -1 0 355.372 -0.270 20 0 FBADRM O=C([O-])N1CCN(CC(=O)OCC(=O)NCc2ccc(F)cc2)C(=O)C1 ZINC000740381986 603005064 /nfs/dbraw/zinc/00/50/64/603005064.db2.gz KQYWFJHXBGZZCF-UHFFFAOYSA-N -1 0 367.333 -0.193 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)COCC(=O)NCc1cccnc1 ZINC000740382116 602676523 /nfs/dbraw/zinc/67/65/23/602676523.db2.gz NMVNDKSOECZCCW-CYBMUJFWSA-N -1 0 350.375 -0.027 20 0 FBADRM O=C([O-])N1CCC[C@H]1CNC(=O)COCC(=O)NCc1cccnc1 ZINC000740382117 602676448 /nfs/dbraw/zinc/67/64/48/602676448.db2.gz NMVNDKSOECZCCW-ZDUSSCGKSA-N -1 0 350.375 -0.027 20 0 FBADRM O=C(COC(=O)CN1CCN(C(=O)[O-])CC1=O)NC(=O)c1cccs1 ZINC000740382424 837851672 /nfs/dbraw/zinc/85/16/72/837851672.db2.gz QOSNFMUJEGADNI-UHFFFAOYSA-N -1 0 369.355 -0.630 20 0 FBADRM O=C(COC(=O)CN1CCN(C(=O)[O-])CC1=O)NC(C1CC1)C1CC1 ZINC000740383220 603111671 /nfs/dbraw/zinc/11/16/71/603111671.db2.gz WVDCKPCHOBGVPJ-UHFFFAOYSA-N -1 0 353.375 -0.343 20 0 FBADRM O=C(COC(=O)CN1CCN(C(=O)[O-])CC1=O)NC(=O)NC1CCCC1 ZINC000740383247 603110715 /nfs/dbraw/zinc/11/07/15/603110715.db2.gz XRIIZJXGCODAHF-UHFFFAOYSA-N -1 0 370.362 -0.880 20 0 FBADRM O=C([O-])N1CCN(CC(=O)OCC(=O)Nc2ccc(O)cc2)C(=O)C1 ZINC000740383249 837851999 /nfs/dbraw/zinc/85/19/99/837851999.db2.gz XTQZAFSDJPCNES-UHFFFAOYSA-N -1 0 351.315 -0.304 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000740383832 602873581 /nfs/dbraw/zinc/87/35/81/602873581.db2.gz DHFACGHRAOKSFC-CYBMUJFWSA-N -1 0 353.350 -0.021 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000740383833 602873869 /nfs/dbraw/zinc/87/38/69/602873869.db2.gz DHFACGHRAOKSFC-ZDUSSCGKSA-N -1 0 353.350 -0.021 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000740384596 603075681 /nfs/dbraw/zinc/07/56/81/603075681.db2.gz OBWRNRKYIGWKNW-CHWSQXEVSA-N -1 0 353.350 -0.286 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000740384597 603075389 /nfs/dbraw/zinc/07/53/89/603075389.db2.gz OBWRNRKYIGWKNW-OLZOCXBDSA-N -1 0 353.350 -0.286 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000740384598 603075408 /nfs/dbraw/zinc/07/54/08/603075408.db2.gz OBWRNRKYIGWKNW-QWHCGFSZSA-N -1 0 353.350 -0.286 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000740384599 603075982 /nfs/dbraw/zinc/07/59/82/603075982.db2.gz OBWRNRKYIGWKNW-STQMWFEESA-N -1 0 353.350 -0.286 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)Cc2csc(-c3nc[nH]n3)n2)CC1 ZINC000740386330 602667670 /nfs/dbraw/zinc/66/76/70/602667670.db2.gz AJAOARWMSQJWNK-UHFFFAOYSA-N -1 0 365.419 -0.118 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1 ZINC000740386745 602471465 /nfs/dbraw/zinc/47/14/65/602471465.db2.gz FAFSCTLHWUJSPS-AWEZNQCLSA-N -1 0 372.381 -0.073 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1 ZINC000740386746 602471494 /nfs/dbraw/zinc/47/14/94/602471494.db2.gz FAFSCTLHWUJSPS-CQSZACIVSA-N -1 0 372.381 -0.073 20 0 FBADRM O=C([O-])N1CC(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1 ZINC000740386752 604770988 /nfs/dbraw/zinc/77/09/88/604770988.db2.gz FKEZYNGEHFLUBJ-UHFFFAOYSA-N -1 0 358.354 -0.463 20 0 FBADRM O=C([O-])N1CCN(c2ccc(NC(=O)Cn3ccc(=O)[nH]c3=O)nc2)CC1 ZINC000740387667 602121551 /nfs/dbraw/zinc/12/15/51/602121551.db2.gz FQZAWCKGAHPIIT-UHFFFAOYSA-N -1 0 374.357 -0.217 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000740388123 603075453 /nfs/dbraw/zinc/07/54/53/603075453.db2.gz IUEHYXJVANJTPP-CHWSQXEVSA-N -1 0 365.390 -0.006 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000740388124 603076005 /nfs/dbraw/zinc/07/60/05/603076005.db2.gz IUEHYXJVANJTPP-OLZOCXBDSA-N -1 0 365.390 -0.006 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000740388127 603075521 /nfs/dbraw/zinc/07/55/21/603075521.db2.gz IUEHYXJVANJTPP-QWHCGFSZSA-N -1 0 365.390 -0.006 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000740388130 603075758 /nfs/dbraw/zinc/07/57/58/603075758.db2.gz IUEHYXJVANJTPP-STQMWFEESA-N -1 0 365.390 -0.006 20 0 FBADRM O=C(Cc1noc(CN2CCN(C(=O)[O-])CC2=O)n1)NC1CCCC1 ZINC000740388233 603148302 /nfs/dbraw/zinc/14/83/02/603148302.db2.gz RAGLPGAPBHQXGX-UHFFFAOYSA-N -1 0 351.363 -0.007 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1 ZINC000740388940 602534710 /nfs/dbraw/zinc/53/47/10/602534710.db2.gz YEJOJUCHAKYZHQ-LURJTMIESA-N -1 0 361.152 -0.420 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1 ZINC000740388941 602534747 /nfs/dbraw/zinc/53/47/47/602534747.db2.gz YEJOJUCHAKYZHQ-ZCFIWIBFSA-N -1 0 361.152 -0.420 20 0 FBADRM O=C([O-])C1(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CCCC1 ZINC000740390121 597036998 /nfs/dbraw/zinc/03/69/98/597036998.db2.gz JLBVQMRPXVWTDP-JTQLQIEISA-N -1 0 371.415 -0.335 20 0 FBADRM O=C([O-])C1(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CCCC1 ZINC000740390135 597037288 /nfs/dbraw/zinc/03/72/88/597037288.db2.gz JLBVQMRPXVWTDP-SNVBAGLBSA-N -1 0 371.415 -0.335 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000740391876 602605115 /nfs/dbraw/zinc/60/51/15/602605115.db2.gz DWJSGTVJPDJAKK-GFCCVEGCSA-N -1 0 367.406 -0.739 20 0 FBADRM O=C([O-])N1CCC[C@H]1CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000740391877 602605300 /nfs/dbraw/zinc/60/53/00/602605300.db2.gz DWJSGTVJPDJAKK-LBPRGKRZSA-N -1 0 367.406 -0.739 20 0 FBADRM O=C([O-])N1CC[C@@H](C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000740391883 603317760 /nfs/dbraw/zinc/31/77/60/603317760.db2.gz FAIWBFRXRSYDTH-CHWSQXEVSA-N -1 0 354.407 -0.964 20 0 FBADRM O=C([O-])N1CC[C@@H](C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000740391884 603317868 /nfs/dbraw/zinc/31/78/68/603317868.db2.gz FAIWBFRXRSYDTH-OLZOCXBDSA-N -1 0 354.407 -0.964 20 0 FBADRM O=C([O-])N1CC[C@H](C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000740391885 603317687 /nfs/dbraw/zinc/31/76/87/603317687.db2.gz FAIWBFRXRSYDTH-QWHCGFSZSA-N -1 0 354.407 -0.964 20 0 FBADRM O=C([O-])N1CC[C@H](C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000740391886 603317737 /nfs/dbraw/zinc/31/77/37/603317737.db2.gz FAIWBFRXRSYDTH-STQMWFEESA-N -1 0 354.407 -0.964 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000740391895 603101219 /nfs/dbraw/zinc/10/12/19/603101219.db2.gz FHQVULQEXSOASE-CHWSQXEVSA-N -1 0 354.407 -0.822 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000740391896 603101195 /nfs/dbraw/zinc/10/11/95/603101195.db2.gz FHQVULQEXSOASE-OLZOCXBDSA-N -1 0 354.407 -0.822 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000740391897 603101467 /nfs/dbraw/zinc/10/14/67/603101467.db2.gz FHQVULQEXSOASE-QWHCGFSZSA-N -1 0 354.407 -0.822 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000740391898 603101232 /nfs/dbraw/zinc/10/12/32/603101232.db2.gz FHQVULQEXSOASE-STQMWFEESA-N -1 0 354.407 -0.822 20 0 FBADRM O=C([O-])N1CCCC[C@H]1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000740392258 603226485 /nfs/dbraw/zinc/22/64/85/603226485.db2.gz HTUJONIMYYCABF-KBPBESRZSA-N -1 0 368.434 -0.432 20 0 FBADRM O=C([O-])N1CCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000740392259 603226619 /nfs/dbraw/zinc/22/66/19/603226619.db2.gz HTUJONIMYYCABF-KGLIPLIRSA-N -1 0 368.434 -0.432 20 0 FBADRM O=C([O-])N1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000740392260 603226936 /nfs/dbraw/zinc/22/69/36/603226936.db2.gz HTUJONIMYYCABF-UONOGXRCSA-N -1 0 368.434 -0.432 20 0 FBADRM O=C([O-])N1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000740392261 603226730 /nfs/dbraw/zinc/22/67/30/603226730.db2.gz HTUJONIMYYCABF-ZIAGYGMSSA-N -1 0 368.434 -0.432 20 0 FBADRM O=C([O-])N(CCNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C1CC1 ZINC000740392270 602079754 /nfs/dbraw/zinc/07/97/54/602079754.db2.gz HZEGMWTURUOZRO-UHFFFAOYSA-N -1 0 367.406 -0.739 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@@H]2CCCN(C(=O)C(=O)NC3CC3)C2)CC1 ZINC000740392526 603426232 /nfs/dbraw/zinc/42/62/32/603426232.db2.gz JWUIYUNVBAXLCH-LLVKDONJSA-N -1 0 352.391 -0.674 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@H]2CCCN(C(=O)C(=O)NC3CC3)C2)CC1 ZINC000740392527 603426433 /nfs/dbraw/zinc/42/64/33/603426433.db2.gz JWUIYUNVBAXLCH-NSHDSACASA-N -1 0 352.391 -0.674 20 0 FBADRM O=C([O-])N1CSC[C@H]1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000740393153 603101682 /nfs/dbraw/zinc/10/16/82/603101682.db2.gz SWXKXNSJRYBQFO-NEPJUHHUSA-N -1 0 372.447 -0.911 20 0 FBADRM O=C([O-])N1CSC[C@@H]1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000740393154 603101650 /nfs/dbraw/zinc/10/16/50/603101650.db2.gz SWXKXNSJRYBQFO-NWDGAFQWSA-N -1 0 372.447 -0.911 20 0 FBADRM O=C([O-])N1CSC[C@H]1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000740393155 603101696 /nfs/dbraw/zinc/10/16/96/603101696.db2.gz SWXKXNSJRYBQFO-RYUDHWBXSA-N -1 0 372.447 -0.911 20 0 FBADRM O=C([O-])N1CSC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000740393156 603101460 /nfs/dbraw/zinc/10/14/60/603101460.db2.gz SWXKXNSJRYBQFO-VXGBXAGGSA-N -1 0 372.447 -0.911 20 0 FBADRM O=C([O-])N1CCCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000740393612 602501898 /nfs/dbraw/zinc/50/18/98/602501898.db2.gz YQRQPWGVGSDFMC-GFCCVEGCSA-N -1 0 352.391 -0.532 20 0 FBADRM O=C([O-])N1CCCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000740393614 602501668 /nfs/dbraw/zinc/50/16/68/602501668.db2.gz YQRQPWGVGSDFMC-LBPRGKRZSA-N -1 0 352.391 -0.532 20 0 FBADRM O=C([O-])N1CCC[C@@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C1 ZINC000740393985 603211987 /nfs/dbraw/zinc/21/19/87/603211987.db2.gz ZQUKAKMSLLOLOO-GFCCVEGCSA-N -1 0 374.405 -0.006 20 0 FBADRM O=C([O-])N1CCC[C@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C1 ZINC000740393986 605711713 /nfs/dbraw/zinc/71/17/13/605711713.db2.gz ZQUKAKMSLLOLOO-LBPRGKRZSA-N -1 0 374.405 -0.006 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C1 ZINC000740396183 602471555 /nfs/dbraw/zinc/47/15/55/602471555.db2.gz DQUZTBJERDVKCZ-LLVKDONJSA-N -1 0 360.378 -0.396 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C1 ZINC000740396187 602471569 /nfs/dbraw/zinc/47/15/69/602471569.db2.gz DQUZTBJERDVKCZ-NSHDSACASA-N -1 0 360.378 -0.396 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC(NC(=O)C3CC3)CC2)C(=O)C1 ZINC000740396358 602992713 /nfs/dbraw/zinc/99/27/13/602992713.db2.gz HMGLUEXAIHCHOX-UHFFFAOYSA-N -1 0 352.391 -0.674 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000740397323 602533619 /nfs/dbraw/zinc/53/36/19/602533619.db2.gz KGKJPCFQJKMFCC-CHWSQXEVSA-N -1 0 354.407 -0.964 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000740397324 602533858 /nfs/dbraw/zinc/53/38/58/602533858.db2.gz KGKJPCFQJKMFCC-OLZOCXBDSA-N -1 0 354.407 -0.964 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000740397325 602533810 /nfs/dbraw/zinc/53/38/10/602533810.db2.gz KGKJPCFQJKMFCC-QWHCGFSZSA-N -1 0 354.407 -0.964 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000740397326 602533603 /nfs/dbraw/zinc/53/36/03/602533603.db2.gz KGKJPCFQJKMFCC-STQMWFEESA-N -1 0 354.407 -0.964 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)N[C@H]3CCCS(=O)(=O)C3)nn2)CC1 ZINC000740398098 603113952 /nfs/dbraw/zinc/11/39/52/603113952.db2.gz NHPJAJHWZIXPSG-JTQLQIEISA-N -1 0 371.419 -0.100 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)N[C@@H]3CCCS(=O)(=O)C3)nn2)CC1 ZINC000740398101 603114006 /nfs/dbraw/zinc/11/40/06/603114006.db2.gz NHPJAJHWZIXPSG-SNVBAGLBSA-N -1 0 371.419 -0.100 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000740398623 602475351 /nfs/dbraw/zinc/47/53/51/602475351.db2.gz PIIVCFRTTXQWJQ-NXEZZACHSA-N -1 0 372.403 -0.980 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000740398624 602475292 /nfs/dbraw/zinc/47/52/92/602475292.db2.gz PIIVCFRTTXQWJQ-UWVGGRQHSA-N -1 0 372.403 -0.980 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000740398626 602475336 /nfs/dbraw/zinc/47/53/36/602475336.db2.gz PIIVCFRTTXQWJQ-VHSXEESVSA-N -1 0 372.403 -0.980 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000740398628 602475347 /nfs/dbraw/zinc/47/53/47/602475347.db2.gz PIIVCFRTTXQWJQ-ZJUUUORDSA-N -1 0 372.403 -0.980 20 0 FBADRM O=C([O-])N1CC(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)C1 ZINC000740398834 604773935 /nfs/dbraw/zinc/77/39/35/604773935.db2.gz DGQSVRTXXAKHFX-UHFFFAOYSA-N -1 0 364.343 -0.810 20 0 FBADRM O=C([O-])N1CC(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000740398850 604773471 /nfs/dbraw/zinc/77/34/71/604773471.db2.gz DLMUFDNNIWDIFF-UHFFFAOYSA-N -1 0 369.399 -0.201 20 0 FBADRM O=C([O-])N1CC(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000740399447 604948082 /nfs/dbraw/zinc/94/80/82/604948082.db2.gz HOOHCPMZOAWJFI-UHFFFAOYSA-N -1 0 369.399 -0.201 20 0 FBADRM O=C([O-])N1CC(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 ZINC000740399572 604757731 /nfs/dbraw/zinc/75/77/31/604757731.db2.gz JIENEUHTUPHFOG-UHFFFAOYSA-N -1 0 359.360 -0.608 20 0 FBADRM O=C([O-])N1CC(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000740400247 604761998 /nfs/dbraw/zinc/76/19/98/604761998.db2.gz OCDZOMJOUOJTNL-UHFFFAOYSA-N -1 0 369.399 -0.201 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 ZINC000740403266 602477762 /nfs/dbraw/zinc/47/77/62/602477762.db2.gz PMVIWPPGFOPRHK-JTQLQIEISA-N -1 0 373.387 -0.217 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 ZINC000740403267 602477768 /nfs/dbraw/zinc/47/77/68/602477768.db2.gz PMVIWPPGFOPRHK-SNVBAGLBSA-N -1 0 373.387 -0.217 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000740403417 602762848 /nfs/dbraw/zinc/76/28/48/602762848.db2.gz AQWLTDYZRJAFRP-UHFFFAOYSA-N -1 0 370.312 -0.158 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1 ZINC000740403442 602301647 /nfs/dbraw/zinc/30/16/47/602301647.db2.gz AZMHTVNPENPDNU-HIFRSBDPSA-N -1 0 362.386 -0.234 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000740403486 602763637 /nfs/dbraw/zinc/76/36/37/602763637.db2.gz BWMYCHTZZZLVOU-UHFFFAOYSA-N -1 0 370.312 -0.158 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)C(=O)Nc2ccc(Cl)nc2)CC1 ZINC000740403770 602764016 /nfs/dbraw/zinc/76/40/16/602764016.db2.gz DMBCXTJVGPWHQO-UHFFFAOYSA-N -1 0 369.765 -0.388 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)CC1 ZINC000740403774 602966999 /nfs/dbraw/zinc/96/69/99/602966999.db2.gz DRMUABNNOWNMSJ-YOGCLGLASA-N -1 0 353.375 -0.834 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)C(=O)Nc2cccc(F)c2F)CC1 ZINC000740403803 602763613 /nfs/dbraw/zinc/76/36/13/602763613.db2.gz GCGPOMHGZUZVCI-UHFFFAOYSA-N -1 0 370.312 -0.158 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2ccc(N3CCCC3)nn2)CC1 ZINC000740403827 602188115 /nfs/dbraw/zinc/18/81/15/602188115.db2.gz GWAIQPRSECWRHI-UHFFFAOYSA-N -1 0 362.390 -0.371 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCc2nccn2C(F)F)CC1 ZINC000740403832 602282612 /nfs/dbraw/zinc/28/26/12/602282612.db2.gz HHCAXSSOLQCYPS-UHFFFAOYSA-N -1 0 360.321 -0.100 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)C(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000740403843 602763607 /nfs/dbraw/zinc/76/36/07/602763607.db2.gz HLQJOBMBGZXHPZ-UHFFFAOYSA-N -1 0 370.312 -0.158 20 0 FBADRM O=C([O-])N1CC(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000740404030 604772004 /nfs/dbraw/zinc/77/20/04/604772004.db2.gz OWMBBIXBTIGJIY-UHFFFAOYSA-N -1 0 368.415 -0.039 20 0 FBADRM O=C([O-])N1CC(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1 ZINC000740404063 604748812 /nfs/dbraw/zinc/74/88/12/604748812.db2.gz PHCMHHWJISTHBR-UHFFFAOYSA-N -1 0 374.444 -0.156 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)Nc2cccnc2-n2cncn2)CC1 ZINC000740404095 602683046 /nfs/dbraw/zinc/68/30/46/602683046.db2.gz JHWUCWOQEJRSAK-UHFFFAOYSA-N -1 0 374.361 -0.394 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2ccnc(-n3cccn3)c2)CC1 ZINC000740404105 602967254 /nfs/dbraw/zinc/96/72/54/602967254.db2.gz JYFZOZINYOAKKI-UHFFFAOYSA-N -1 0 358.358 -0.181 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)C(=O)Nc2ccccc2F)CC1 ZINC000740404132 602763836 /nfs/dbraw/zinc/76/38/36/602763836.db2.gz LCXYZYWOXBSFDU-UHFFFAOYSA-N -1 0 352.322 -0.297 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2cccc(-n3cncn3)c2)CC1 ZINC000740404148 603426406 /nfs/dbraw/zinc/42/64/06/603426406.db2.gz MAJRLMVYOVZRMR-UHFFFAOYSA-N -1 0 358.358 -0.181 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)C(=O)Nc2c(F)cccc2F)CC1 ZINC000740404154 602763771 /nfs/dbraw/zinc/76/37/71/602763771.db2.gz MFUJBPKTAGCBFF-UHFFFAOYSA-N -1 0 370.312 -0.158 20 0 FBADRM O=C([O-])N1CCCC[C@@H](NC(=O)NCC2(O)CCS(=O)(=O)CC2)C1 ZINC000740404549 603126104 /nfs/dbraw/zinc/12/61/04/603126104.db2.gz CCDRXLDNBWUATP-LLVKDONJSA-N -1 0 363.436 -0.242 20 0 FBADRM O=C([O-])N1CCCC[C@H](NC(=O)NCC2(O)CCS(=O)(=O)CC2)C1 ZINC000740404550 603126061 /nfs/dbraw/zinc/12/60/61/603126061.db2.gz CCDRXLDNBWUATP-NSHDSACASA-N -1 0 363.436 -0.242 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@H](CO)c2ccc(F)cc2)CC1 ZINC000740404572 602944220 /nfs/dbraw/zinc/94/42/20/602944220.db2.gz MZYLTWRDMNASEA-CYBMUJFWSA-N -1 0 368.365 -0.020 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@@H](CO)c2ccc(F)cc2)CC1 ZINC000740404573 602944580 /nfs/dbraw/zinc/94/45/80/602944580.db2.gz MZYLTWRDMNASEA-ZDUSSCGKSA-N -1 0 368.365 -0.020 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2ccc3c(c2)C(=O)NC3=O)CC1 ZINC000740404584 602569321 /nfs/dbraw/zinc/56/93/21/602569321.db2.gz NEEADKMHGXNGFZ-UHFFFAOYSA-N -1 0 360.326 -0.878 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)C(=O)Nc2ccc(F)cc2)CC1 ZINC000740404627 602763851 /nfs/dbraw/zinc/76/38/51/602763851.db2.gz OMUWXLMEHSTFDB-UHFFFAOYSA-N -1 0 352.322 -0.297 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@H](CO)c2cccc(F)c2)CC1 ZINC000740404662 602831757 /nfs/dbraw/zinc/83/17/57/602831757.db2.gz QEBNWBDRZNWSCS-CYBMUJFWSA-N -1 0 368.365 -0.020 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@@H](CO)c2cccc(F)c2)CC1 ZINC000740404663 602831651 /nfs/dbraw/zinc/83/16/51/602831651.db2.gz QEBNWBDRZNWSCS-ZDUSSCGKSA-N -1 0 368.365 -0.020 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NC[C@@H](O)Cc2ccccc2)CC1 ZINC000740405139 602442344 /nfs/dbraw/zinc/44/23/44/602442344.db2.gz SUSMOBJHWKIDHW-AWEZNQCLSA-N -1 0 364.402 -0.289 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NC[C@H](O)Cc2ccccc2)CC1 ZINC000740405140 602442371 /nfs/dbraw/zinc/44/23/71/602442371.db2.gz SUSMOBJHWKIDHW-CQSZACIVSA-N -1 0 364.402 -0.289 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCc2cccc(CO)c2)CC1 ZINC000740405171 602622167 /nfs/dbraw/zinc/62/21/67/602622167.db2.gz TXJOGXJUEPPSHI-UHFFFAOYSA-N -1 0 350.375 -0.200 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000740405392 602860429 /nfs/dbraw/zinc/86/04/29/602860429.db2.gz GBPLZUKBYDPNAM-DOMZBBRYSA-N -1 0 359.448 -0.311 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000740405393 602860634 /nfs/dbraw/zinc/86/06/34/602860634.db2.gz GBPLZUKBYDPNAM-IUODEOHRSA-N -1 0 359.448 -0.311 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000740405394 602860778 /nfs/dbraw/zinc/86/07/78/602860778.db2.gz GBPLZUKBYDPNAM-SWLSCSKDSA-N -1 0 359.448 -0.311 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000740405395 602860506 /nfs/dbraw/zinc/86/05/06/602860506.db2.gz GBPLZUKBYDPNAM-WFASDCNBSA-N -1 0 359.448 -0.311 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)N[C@H]3CCc4ncnn4C3)nn2)CC1 ZINC000740405430 602735261 /nfs/dbraw/zinc/73/52/61/602735261.db2.gz ZGZPBUKQSFHLQX-JTQLQIEISA-N -1 0 360.378 -0.071 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)N[C@@H]3CCc4ncnn4C3)nn2)CC1 ZINC000740405436 602735246 /nfs/dbraw/zinc/73/52/46/602735246.db2.gz ZGZPBUKQSFHLQX-SNVBAGLBSA-N -1 0 360.378 -0.071 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)C(=O)Nc2cccc(F)c2)CC1 ZINC000740405506 602763811 /nfs/dbraw/zinc/76/38/11/602763811.db2.gz UTTSVDKEJIDMFX-UHFFFAOYSA-N -1 0 352.322 -0.297 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2ccc(-n3ccnc3)nn2)CC1 ZINC000740405513 602026791 /nfs/dbraw/zinc/02/67/91/602026791.db2.gz UURHSTIGHVDSFV-UHFFFAOYSA-N -1 0 359.346 -0.786 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)C(=O)Nc2cc(F)ccc2F)CC1 ZINC000740405530 602763615 /nfs/dbraw/zinc/76/36/15/602763615.db2.gz VKFVVVBINGVUIA-UHFFFAOYSA-N -1 0 370.312 -0.158 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2ccnc(N3CCCC3)n2)CC1 ZINC000740405541 602967274 /nfs/dbraw/zinc/96/72/74/602967274.db2.gz VRYIXRCAYWXULD-UHFFFAOYSA-N -1 0 362.390 -0.371 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2ccc(-n3cnnc3)cc2)CC1 ZINC000740405546 602026559 /nfs/dbraw/zinc/02/65/59/602026559.db2.gz VYSFNVXVBDRUDL-UHFFFAOYSA-N -1 0 358.358 -0.181 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NC[C@@H](O)c2ccsc2)CC1 ZINC000740405552 603096930 /nfs/dbraw/zinc/09/69/30/603096930.db2.gz WCHXEHLRZRREFQ-LLVKDONJSA-N -1 0 356.404 -0.097 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NC[C@H](O)c2ccsc2)CC1 ZINC000740405553 603096993 /nfs/dbraw/zinc/09/69/93/603096993.db2.gz WCHXEHLRZRREFQ-NSHDSACASA-N -1 0 356.404 -0.097 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2cc(-n3cccn3)ccn2)CC1 ZINC000740405554 603171490 /nfs/dbraw/zinc/17/14/90/603171490.db2.gz WCWKEBPCKJPDDE-UHFFFAOYSA-N -1 0 358.358 -0.181 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2nnc3ccccc3c2O)CC1 ZINC000740405565 602589162 /nfs/dbraw/zinc/58/91/62/602589162.db2.gz WMWYDYPLYVGEAH-UHFFFAOYSA-N -1 0 359.342 -0.113 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2cccc(-n3cccn3)n2)CC1 ZINC000740405840 603288080 /nfs/dbraw/zinc/28/80/80/603288080.db2.gz ZFPVEKYDZZJDEZ-UHFFFAOYSA-N -1 0 358.358 -0.181 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000740406805 603072788 /nfs/dbraw/zinc/07/27/88/603072788.db2.gz WEBDQGKRHSUBQP-LALPHHSUSA-N -1 0 359.448 -0.576 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000740406806 603072877 /nfs/dbraw/zinc/07/28/77/603072877.db2.gz WEBDQGKRHSUBQP-SLEUVZQESA-N -1 0 359.448 -0.576 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000740406807 603072441 /nfs/dbraw/zinc/07/24/41/603072441.db2.gz WEBDQGKRHSUBQP-TYNCELHUSA-N -1 0 359.448 -0.576 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000740406809 603072632 /nfs/dbraw/zinc/07/26/32/603072632.db2.gz WEBDQGKRHSUBQP-YWPYICTPSA-N -1 0 359.448 -0.576 20 0 FBADRM O=C([O-])N1CCCC[C@@H]1CNC(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000740410081 603123527 /nfs/dbraw/zinc/12/35/27/603123527.db2.gz KJYCXLYZCYSRJG-LLVKDONJSA-N -1 0 363.436 -0.242 20 0 FBADRM O=C([O-])N1CCCC[C@H]1CNC(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000740410083 603123552 /nfs/dbraw/zinc/12/35/52/603123552.db2.gz KJYCXLYZCYSRJG-NSHDSACASA-N -1 0 363.436 -0.242 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000740410743 602590218 /nfs/dbraw/zinc/59/02/18/602590218.db2.gz FMHFPGQRGMAHBU-GFCCVEGCSA-N -1 0 374.405 -0.006 20 0 FBADRM O=C([O-])N1CCC[C@H]1CNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000740410744 602590238 /nfs/dbraw/zinc/59/02/38/602590238.db2.gz FMHFPGQRGMAHBU-LBPRGKRZSA-N -1 0 374.405 -0.006 20 0 FBADRM O=C([O-])N1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000740410805 602585674 /nfs/dbraw/zinc/58/56/74/602585674.db2.gz GQXWAMQYCZBPBF-KBPBESRZSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000740410806 602585761 /nfs/dbraw/zinc/58/57/61/602585761.db2.gz GQXWAMQYCZBPBF-KGLIPLIRSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000740410807 602585665 /nfs/dbraw/zinc/58/56/65/602585665.db2.gz GQXWAMQYCZBPBF-UONOGXRCSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000740410808 602585740 /nfs/dbraw/zinc/58/57/40/602585740.db2.gz GQXWAMQYCZBPBF-ZIAGYGMSSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)C(=O)C1 ZINC000740411430 603018367 /nfs/dbraw/zinc/01/83/67/603018367.db2.gz CTFAXFSEUIPGIN-CYBMUJFWSA-N -1 0 366.418 -0.427 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)C(=O)C1 ZINC000740411431 603018235 /nfs/dbraw/zinc/01/82/35/603018235.db2.gz CTFAXFSEUIPGIN-ZDUSSCGKSA-N -1 0 366.418 -0.427 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000740411545 602620064 /nfs/dbraw/zinc/62/00/64/602620064.db2.gz JIZKTZYCVDAETF-LLVKDONJSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000740411546 602620042 /nfs/dbraw/zinc/62/00/42/602620042.db2.gz JIZKTZYCVDAETF-NSHDSACASA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000740411758 602619026 /nfs/dbraw/zinc/61/90/26/602619026.db2.gz KSAOFMFSDMMLDC-GFCCVEGCSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000740411760 602618908 /nfs/dbraw/zinc/61/89/08/602618908.db2.gz KSAOFMFSDMMLDC-LBPRGKRZSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CCC[C@H]1CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000740411824 602583335 /nfs/dbraw/zinc/58/33/35/602583335.db2.gz LLTXMUVNESZPKW-JTQLQIEISA-N -1 0 354.388 -0.257 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000740411827 602583246 /nfs/dbraw/zinc/58/32/46/602583246.db2.gz LLTXMUVNESZPKW-SNVBAGLBSA-N -1 0 354.388 -0.257 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CSC[C@@H]2C(=O)NCC2CC2)C(=O)C1 ZINC000740411830 603001802 /nfs/dbraw/zinc/00/18/02/603001802.db2.gz GWBUDRBJMWZJGL-LLVKDONJSA-N -1 0 370.431 -0.764 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CSC[C@H]2C(=O)NCC2CC2)C(=O)C1 ZINC000740411832 603001856 /nfs/dbraw/zinc/00/18/56/603001856.db2.gz GWBUDRBJMWZJGL-NSHDSACASA-N -1 0 370.431 -0.764 20 0 FBADRM O=C([O-])N1CCC[C@H]1CNC(=O)C(=O)Nc1cccnc1-n1cncn1 ZINC000740412187 603417146 /nfs/dbraw/zinc/41/71/46/603417146.db2.gz NTHAOFDRGWMFHK-JTQLQIEISA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)C(=O)Nc1cccnc1-n1cncn1 ZINC000740412189 603417141 /nfs/dbraw/zinc/41/71/41/603417141.db2.gz NTHAOFDRGWMFHK-SNVBAGLBSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000740413057 602581414 /nfs/dbraw/zinc/58/14/14/602581414.db2.gz SGILFHBYXUZSPZ-GRYCIOLGSA-N -1 0 373.431 -0.719 20 0 FBADRM O=C([O-])N1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000740413058 602581264 /nfs/dbraw/zinc/58/12/64/602581264.db2.gz SGILFHBYXUZSPZ-SDDRHHMPSA-N -1 0 373.431 -0.719 20 0 FBADRM O=C([O-])N1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000740413059 602581351 /nfs/dbraw/zinc/58/13/51/602581351.db2.gz SGILFHBYXUZSPZ-SRVKXCTJSA-N -1 0 373.431 -0.719 20 0 FBADRM O=C([O-])N1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000740413060 602581463 /nfs/dbraw/zinc/58/14/63/602581463.db2.gz SGILFHBYXUZSPZ-WOPDTQHZSA-N -1 0 373.431 -0.719 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000740413401 602621767 /nfs/dbraw/zinc/62/17/67/602621767.db2.gz TZLZEPUAXQXJGW-LLVKDONJSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000740413402 602621930 /nfs/dbraw/zinc/62/19/30/602621930.db2.gz TZLZEPUAXQXJGW-NSHDSACASA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000740415804 602620069 /nfs/dbraw/zinc/62/00/69/602620069.db2.gz YJQYFISVLPLROF-GFCCVEGCSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000740415808 602620034 /nfs/dbraw/zinc/62/00/34/602620034.db2.gz YJQYFISVLPLROF-LBPRGKRZSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000740415845 602583262 /nfs/dbraw/zinc/58/32/62/602583262.db2.gz YPMRUQGFTAAOGO-LLVKDONJSA-N -1 0 354.388 -0.257 20 0 FBADRM O=C([O-])N1CCC[C@H]1CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000740415848 602583205 /nfs/dbraw/zinc/58/32/05/602583205.db2.gz YPMRUQGFTAAOGO-NSHDSACASA-N -1 0 354.388 -0.257 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCC[C@@H](O)C(F)(F)F)CC1 ZINC000740416708 603306900 /nfs/dbraw/zinc/30/69/00/603306900.db2.gz NTWWHJBMJSETCQ-MRVPVSSYSA-N -1 0 356.301 -0.579 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCC[C@H](O)C(F)(F)F)CC1 ZINC000740416709 603306474 /nfs/dbraw/zinc/30/64/74/603306474.db2.gz NTWWHJBMJSETCQ-QMMMGPOBSA-N -1 0 356.301 -0.579 20 0 FBADRM O=C([O-])N1CCC(CNC(=O)NCC2(O)CCS(=O)(=O)CC2)CC1 ZINC000740417270 603124783 /nfs/dbraw/zinc/12/47/83/603124783.db2.gz QDLWSBGAHQYLNZ-UHFFFAOYSA-N -1 0 363.436 -0.385 20 0 FBADRM O=C([O-])N1CCC[C@H](CNC(=O)NCC2(O)CCS(=O)(=O)CC2)C1 ZINC000740419321 603124909 /nfs/dbraw/zinc/12/49/09/603124909.db2.gz XNNOZYXSTBEGPS-LLVKDONJSA-N -1 0 363.436 -0.385 20 0 FBADRM O=C([O-])N1CCC[C@@H](CNC(=O)NCC2(O)CCS(=O)(=O)CC2)C1 ZINC000740419325 603124772 /nfs/dbraw/zinc/12/47/72/603124772.db2.gz XNNOZYXSTBEGPS-NSHDSACASA-N -1 0 363.436 -0.385 20 0 FBADRM O=C([O-])N1CC[C@@H](CCNC(=O)NCC2(O)CCS(=O)(=O)CC2)C1 ZINC000740425012 603126065 /nfs/dbraw/zinc/12/60/65/603126065.db2.gz CHILJJOPZXFIGF-LLVKDONJSA-N -1 0 363.436 -0.385 20 0 FBADRM O=C([O-])N1CC[C@H](CCNC(=O)NCC2(O)CCS(=O)(=O)CC2)C1 ZINC000740425014 603126227 /nfs/dbraw/zinc/12/62/27/603126227.db2.gz CHILJJOPZXFIGF-NSHDSACASA-N -1 0 363.436 -0.385 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000740428641 602837990 /nfs/dbraw/zinc/83/79/90/602837990.db2.gz HHLGRSKMXCPGEN-LLVKDONJSA-N -1 0 368.390 -0.264 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000740428642 602838067 /nfs/dbraw/zinc/83/80/67/602838067.db2.gz HHLGRSKMXCPGEN-NSHDSACASA-N -1 0 368.390 -0.264 20 0 FBADRM O=C([O-])[C@H]1CC(C(=O)NCCCN2C(=O)CNC2=O)=NN1c1ccccc1 ZINC000740428645 596986822 /nfs/dbraw/zinc/98/68/22/596986822.db2.gz HOHVRZNFWAFWQD-CYBMUJFWSA-N -1 0 373.369 -0.236 20 0 FBADRM O=C([O-])[C@@H]1CC(C(=O)NCCCN2C(=O)CNC2=O)=NN1c1ccccc1 ZINC000740428646 596986957 /nfs/dbraw/zinc/98/69/57/596986957.db2.gz HOHVRZNFWAFWQD-ZDUSSCGKSA-N -1 0 373.369 -0.236 20 0 FBADRM O=C([O-])N1CC[C@@H](CCNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 ZINC000740429478 602421119 /nfs/dbraw/zinc/42/11/19/602421119.db2.gz BTLCMYDWDYRBAZ-LLVKDONJSA-N -1 0 368.415 -0.010 20 0 FBADRM O=C([O-])N1CC[C@H](CCNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 ZINC000740429481 602421189 /nfs/dbraw/zinc/42/11/89/602421189.db2.gz BTLCMYDWDYRBAZ-NSHDSACASA-N -1 0 368.415 -0.010 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)NCCCN2C(=O)CCC2=O)CC1 ZINC000740429681 602680780 /nfs/dbraw/zinc/68/07/80/602680780.db2.gz KFHUBCSHZOEQSJ-UHFFFAOYSA-N -1 0 355.395 -0.880 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCCCOC[C@H]2CCOC2)CC1 ZINC000740430270 602828692 /nfs/dbraw/zinc/82/86/92/602828692.db2.gz HRIJKAGOGCSPSV-CYBMUJFWSA-N -1 0 372.422 -0.449 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCCCOC[C@@H]2CCOC2)CC1 ZINC000740430271 602828624 /nfs/dbraw/zinc/82/86/24/602828624.db2.gz HRIJKAGOGCSPSV-ZDUSSCGKSA-N -1 0 372.422 -0.449 20 0 FBADRM O=C([O-])N1CC[C@@H](CCNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC000740430475 602421918 /nfs/dbraw/zinc/42/19/18/602421918.db2.gz CIENKDTZUAAXNQ-LLVKDONJSA-N -1 0 368.415 -0.010 20 0 FBADRM O=C([O-])N1CC[C@H](CCNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC000740430477 602421936 /nfs/dbraw/zinc/42/19/36/602421936.db2.gz CIENKDTZUAAXNQ-NSHDSACASA-N -1 0 368.415 -0.010 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCCCN2CCCCC2=O)CC1 ZINC000740430784 602705243 /nfs/dbraw/zinc/70/52/43/602705243.db2.gz CKFQRGDHPDGYGS-UHFFFAOYSA-N -1 0 369.422 -0.490 20 0 FBADRM O=C([O-])N(CCCNC(=O)NCC1(O)CCS(=O)(=O)CC1)C1CC1 ZINC000740431173 603123435 /nfs/dbraw/zinc/12/34/35/603123435.db2.gz UMOLBOGUBKUUJV-UHFFFAOYSA-N -1 0 363.436 -0.242 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)NCCCN2CCOC2=O)CC1 ZINC000740432866 602290035 /nfs/dbraw/zinc/29/00/35/602290035.db2.gz JWGPYPNUPDBHEM-UHFFFAOYSA-N -1 0 357.411 -0.186 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000740433342 602740910 /nfs/dbraw/zinc/74/09/10/602740910.db2.gz NZXOEZUAQXSRBY-GFCCVEGCSA-N -1 0 351.411 -0.422 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000740433343 602740724 /nfs/dbraw/zinc/74/07/24/602740724.db2.gz NZXOEZUAQXSRBY-LBPRGKRZSA-N -1 0 351.411 -0.422 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)NC3=O)CC1 ZINC000740433372 602453388 /nfs/dbraw/zinc/45/33/88/602453388.db2.gz OZVMNAMEOZDGEQ-UHFFFAOYSA-N -1 0 360.370 -0.014 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)NCCN2C(=O)CCC2=O)CC1 ZINC000740433745 603042330 /nfs/dbraw/zinc/04/23/30/603042330.db2.gz SJYTWYRTWLTCCG-UHFFFAOYSA-N -1 0 355.395 -0.880 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)NC[C@H](O)C2CCOCC2)CC1 ZINC000740433769 603369338 /nfs/dbraw/zinc/36/93/38/603369338.db2.gz UCEUPQPLHMGMIZ-AWEZNQCLSA-N -1 0 358.439 -0.241 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)NC[C@@H](O)C2CCOCC2)CC1 ZINC000740433770 603369239 /nfs/dbraw/zinc/36/92/39/603369239.db2.gz UCEUPQPLHMGMIZ-CQSZACIVSA-N -1 0 358.439 -0.241 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)NCCCN2CCCCC2=O)CC1 ZINC000740434299 602709510 /nfs/dbraw/zinc/70/95/10/602709510.db2.gz XKZBICLFNXMORJ-UHFFFAOYSA-N -1 0 355.439 -0.016 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)NCCCN2C(=O)CCC2=O)CC1 ZINC000740434359 602680275 /nfs/dbraw/zinc/68/02/75/602680275.db2.gz YZCAYFLMKJCRJU-UHFFFAOYSA-N -1 0 369.422 -0.490 20 0 FBADRM O=C([O-])N(CCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1 ZINC000740436049 602065585 /nfs/dbraw/zinc/06/55/85/602065585.db2.gz AVUIFSFVSXCQFT-CYBMUJFWSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N(CCNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1 ZINC000740436050 602065560 /nfs/dbraw/zinc/06/55/60/602065560.db2.gz AVUIFSFVSXCQFT-ZDUSSCGKSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N(CCNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1)C1CC1 ZINC000740436066 602095116 /nfs/dbraw/zinc/09/51/16/602095116.db2.gz BFYSMTJGDCFTPC-UHFFFAOYSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N(CCNC(=O)C1CCN(c2ccc3nnnn3n2)CC1)C1CC1 ZINC000740436105 601985034 /nfs/dbraw/zinc/98/50/34/601985034.db2.gz CODQYMCCPUYOSB-UHFFFAOYSA-N -1 0 374.405 -0.006 20 0 FBADRM O=C([O-])N(CCNC(=O)C(=O)Nc1ccc(-n2cncn2)nc1)C1CC1 ZINC000740436121 602094698 /nfs/dbraw/zinc/09/46/98/602094698.db2.gz DDTVGEPXMONYNH-UHFFFAOYSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N(CCNC(=O)NCCS(=O)(=O)N1CCOCC1)C1CC1 ZINC000740436412 602060848 /nfs/dbraw/zinc/06/08/48/602060848.db2.gz DNHCJEGNMXRFBA-UHFFFAOYSA-N -1 0 364.424 -0.910 20 0 FBADRM O=C([O-])N(CCNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1)C1CC1 ZINC000740436505 602094909 /nfs/dbraw/zinc/09/49/09/602094909.db2.gz KEMMPBZXPJLCPH-UHFFFAOYSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000740436535 602852739 /nfs/dbraw/zinc/85/27/39/602852739.db2.gz KVXNSBJOLTYBHE-LLVKDONJSA-N -1 0 353.379 -0.734 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000740436537 602852661 /nfs/dbraw/zinc/85/26/61/602852661.db2.gz KVXNSBJOLTYBHE-NSHDSACASA-N -1 0 353.379 -0.734 20 0 FBADRM O=C([O-])N(CCNC(=O)C(=O)Nc1cccnc1-n1cncn1)C1CC1 ZINC000740436631 603410146 /nfs/dbraw/zinc/41/01/46/603410146.db2.gz MZJWWUUMDDVWDD-UHFFFAOYSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N(CCNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1CC1 ZINC000740437015 601987215 /nfs/dbraw/zinc/98/72/15/601987215.db2.gz PUTXOOJAIXFMJH-UHFFFAOYSA-N -1 0 354.388 -0.257 20 0 FBADRM O=C([O-])N(CCNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CC1 ZINC000740437122 602029913 /nfs/dbraw/zinc/02/99/13/602029913.db2.gz ROXIRKVKEAXEOQ-CMPLNLGQSA-N -1 0 373.431 -0.719 20 0 FBADRM O=C([O-])N(CCNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CC1 ZINC000740437127 602029825 /nfs/dbraw/zinc/02/98/25/602029825.db2.gz ROXIRKVKEAXEOQ-JQWIXIFHSA-N -1 0 373.431 -0.719 20 0 FBADRM O=C([O-])N(CCNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CC1 ZINC000740437129 602029932 /nfs/dbraw/zinc/02/99/32/602029932.db2.gz ROXIRKVKEAXEOQ-PWSUYJOCSA-N -1 0 373.431 -0.719 20 0 FBADRM O=C([O-])N(CCNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CC1 ZINC000740437131 602030078 /nfs/dbraw/zinc/03/00/78/602030078.db2.gz ROXIRKVKEAXEOQ-ZYHUDNBSSA-N -1 0 373.431 -0.719 20 0 FBADRM O=C([O-])N(CCNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)C1CC1 ZINC000740437480 602095509 /nfs/dbraw/zinc/09/55/09/602095509.db2.gz VMYOSUDSIWPLTR-UHFFFAOYSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000740437508 602580419 /nfs/dbraw/zinc/58/04/19/602580419.db2.gz VRTORBBRYHCZCA-LLVKDONJSA-N -1 0 352.395 -0.177 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000740437512 602580394 /nfs/dbraw/zinc/58/03/94/602580394.db2.gz VRTORBBRYHCZCA-NSHDSACASA-N -1 0 352.395 -0.177 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000740437661 603071359 /nfs/dbraw/zinc/07/13/59/603071359.db2.gz YCXGOOFAXDTJOD-GHMZBOCLSA-N -1 0 353.379 -0.999 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000740437663 603071337 /nfs/dbraw/zinc/07/13/37/603071337.db2.gz YCXGOOFAXDTJOD-MNOVXSKESA-N -1 0 353.379 -0.999 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000740437665 603071388 /nfs/dbraw/zinc/07/13/88/603071388.db2.gz YCXGOOFAXDTJOD-QWRGUYRKSA-N -1 0 353.379 -0.999 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000740437667 603071262 /nfs/dbraw/zinc/07/12/62/603071262.db2.gz YCXGOOFAXDTJOD-WDEREUQCSA-N -1 0 353.379 -0.999 20 0 FBADRM O=C([O-])N1CSC[C@@H]1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000740437684 601862733 /nfs/dbraw/zinc/86/27/33/601862733.db2.gz YOOYRUAADYJIJS-SNVBAGLBSA-N -1 0 355.420 -0.060 20 0 FBADRM O=C([O-])N(CCNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C1CC1 ZINC000740437701 601987262 /nfs/dbraw/zinc/98/72/62/601987262.db2.gz ZBOTUBZXOPKPJN-UHFFFAOYSA-N -1 0 354.388 -0.257 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)C(=O)Nc2cnc(C3CC3)nc2)CC1 ZINC000740438380 603410034 /nfs/dbraw/zinc/41/00/34/603410034.db2.gz DTKUBXJSWWRDAE-UHFFFAOYSA-N -1 0 362.390 -0.296 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)NCCN3C(=O)CCC3=O)nn2)CC1 ZINC000740438879 603029920 /nfs/dbraw/zinc/02/99/20/603029920.db2.gz IJOWUTZYFIKAPB-UHFFFAOYSA-N -1 0 364.362 -0.528 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000740438935 602213233 /nfs/dbraw/zinc/21/32/33/602213233.db2.gz JIUAKXOKEVSJOV-UHFFFAOYSA-N -1 0 364.358 -0.234 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000740439174 602854075 /nfs/dbraw/zinc/85/40/75/602854075.db2.gz IKJYHUUMQNRCKF-CYBMUJFWSA-N -1 0 364.406 -0.906 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000740439177 602854234 /nfs/dbraw/zinc/85/42/34/602854234.db2.gz IKJYHUUMQNRCKF-ZDUSSCGKSA-N -1 0 364.406 -0.906 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)NCc2nnnn2-c2ccccc2)CC1 ZINC000740439317 602563130 /nfs/dbraw/zinc/56/31/30/602563130.db2.gz KIXLJMNIEDWGMP-UHFFFAOYSA-N -1 0 374.405 -0.243 20 0 FBADRM O=C([O-])N1CC[C@@H](C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 ZINC000740439579 603248607 /nfs/dbraw/zinc/24/86/07/603248607.db2.gz FNMBNARKISRBLI-NEPJUHHUSA-N -1 0 363.436 -0.409 20 0 FBADRM O=C([O-])N1CC[C@H](C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 ZINC000740439581 603248629 /nfs/dbraw/zinc/24/86/29/603248629.db2.gz FNMBNARKISRBLI-NWDGAFQWSA-N -1 0 363.436 -0.409 20 0 FBADRM O=C([O-])N1CC[C@H](C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 ZINC000740439582 603248614 /nfs/dbraw/zinc/24/86/14/603248614.db2.gz FNMBNARKISRBLI-RYUDHWBXSA-N -1 0 363.436 -0.409 20 0 FBADRM O=C([O-])N1CC[C@@H](C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 ZINC000740439584 603248501 /nfs/dbraw/zinc/24/85/01/603248501.db2.gz FNMBNARKISRBLI-VXGBXAGGSA-N -1 0 363.436 -0.409 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000740439603 602546526 /nfs/dbraw/zinc/54/65/26/602546526.db2.gz FVVQXOCPXBAQNU-NEPJUHHUSA-N -1 0 363.436 -0.267 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000740439605 602546309 /nfs/dbraw/zinc/54/63/09/602546309.db2.gz FVVQXOCPXBAQNU-NWDGAFQWSA-N -1 0 363.436 -0.267 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000740439607 602546552 /nfs/dbraw/zinc/54/65/52/602546552.db2.gz FVVQXOCPXBAQNU-RYUDHWBXSA-N -1 0 363.436 -0.267 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000740439609 602546472 /nfs/dbraw/zinc/54/64/72/602546472.db2.gz FVVQXOCPXBAQNU-VXGBXAGGSA-N -1 0 363.436 -0.267 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000740439631 602849173 /nfs/dbraw/zinc/84/91/73/602849173.db2.gz GQTZABUYTLKUJZ-CYBMUJFWSA-N -1 0 371.415 -0.399 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000740439633 602849233 /nfs/dbraw/zinc/84/92/33/602849233.db2.gz GQTZABUYTLKUJZ-ZDUSSCGKSA-N -1 0 371.415 -0.399 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)CCO3)CC1 ZINC000740439664 602211710 /nfs/dbraw/zinc/21/17/10/602211710.db2.gz NBDKXMCONYVIJB-UHFFFAOYSA-N -1 0 362.386 -0.028 20 0 FBADRM O=C([O-])N1CCc2cc(NC(=O)C(=O)NCCN3C(=O)CCC3=O)ccc21 ZINC000740440226 602778183 /nfs/dbraw/zinc/77/81/83/602778183.db2.gz RAFXAKAPSNBFMU-UHFFFAOYSA-N -1 0 374.353 -0.069 20 0 FBADRM O=C([O-])[C@H]1CC(C(=O)NCCN2C(=O)CCC2=O)=NN1c1ccccc1 ZINC000740440254 597017209 /nfs/dbraw/zinc/01/72/09/597017209.db2.gz RKCZMLKHUPQMKK-CYBMUJFWSA-N -1 0 358.354 -0.029 20 0 FBADRM O=C([O-])[C@@H]1CC(C(=O)NCCN2C(=O)CCC2=O)=NN1c1ccccc1 ZINC000740440257 597016945 /nfs/dbraw/zinc/01/69/45/597016945.db2.gz RKCZMLKHUPQMKK-ZDUSSCGKSA-N -1 0 358.354 -0.029 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC000740440710 602856887 /nfs/dbraw/zinc/85/68/87/602856887.db2.gz VAQBLLQAIAWCAG-UHFFFAOYSA-N -1 0 352.366 -0.146 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)C(=O)Nc2ccc3nccnc3c2)CC1 ZINC000740441194 602212035 /nfs/dbraw/zinc/21/20/35/602212035.db2.gz WRIIUDMFHYFHLI-UHFFFAOYSA-N -1 0 372.385 -0.020 20 0 FBADRM O=C([O-])[C@H]1CC(C(=O)NCCN2C(=O)CNC2=O)=NN1c1ccccc1 ZINC000740441266 597013667 /nfs/dbraw/zinc/01/36/67/597013667.db2.gz YBRULNZQRVTOEL-GFCCVEGCSA-N -1 0 359.342 -0.626 20 0 FBADRM O=C([O-])[C@@H]1CC(C(=O)NCCN2C(=O)CNC2=O)=NN1c1ccccc1 ZINC000740441269 597013379 /nfs/dbraw/zinc/01/33/79/597013379.db2.gz YBRULNZQRVTOEL-LBPRGKRZSA-N -1 0 359.342 -0.626 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000740441402 602838119 /nfs/dbraw/zinc/83/81/19/602838119.db2.gz KTEQRZUTEQVANZ-GFCCVEGCSA-N -1 0 357.388 -0.540 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000740441403 602838220 /nfs/dbraw/zinc/83/82/20/602838220.db2.gz KTEQRZUTEQVANZ-LBPRGKRZSA-N -1 0 357.388 -0.540 20 0 FBADRM O=C([O-])N1CSC[C@@H]1C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000740441477 601868253 /nfs/dbraw/zinc/86/82/53/601868253.db2.gz MSDUFWSGQDPSNG-GFCCVEGCSA-N -1 0 366.447 -0.232 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCCN2CCSCC2)CC1 ZINC000740441506 602725720 /nfs/dbraw/zinc/72/57/20/602725720.db2.gz NSEGXRKWAGWTMP-UHFFFAOYSA-N -1 0 359.452 -0.843 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000740442340 602845968 /nfs/dbraw/zinc/84/59/68/602845968.db2.gz SSZSJMNIHXKYJC-CYBMUJFWSA-N -1 0 371.415 -0.399 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000740442341 602845936 /nfs/dbraw/zinc/84/59/36/602845936.db2.gz SSZSJMNIHXKYJC-ZDUSSCGKSA-N -1 0 371.415 -0.399 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000740442641 602576938 /nfs/dbraw/zinc/57/69/38/602576938.db2.gz BLAVUJFMYRCDOJ-JTQLQIEISA-N -1 0 366.465 -0.584 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000740442642 602576930 /nfs/dbraw/zinc/57/69/30/602576930.db2.gz BLAVUJFMYRCDOJ-SNVBAGLBSA-N -1 0 366.465 -0.584 20 0 FBADRM O=C([O-])N1CC[C@H](C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000740443015 603244433 /nfs/dbraw/zinc/24/44/33/603244433.db2.gz JAAIPMMJDCPTCJ-JTQLQIEISA-N -1 0 351.450 -0.519 20 0 FBADRM O=C([O-])N1CC[C@@H](C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000740443016 603244540 /nfs/dbraw/zinc/24/45/40/603244540.db2.gz JAAIPMMJDCPTCJ-SNVBAGLBSA-N -1 0 351.450 -0.519 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCCOC[C@H]2CCCO2)CC1 ZINC000740443472 602802123 /nfs/dbraw/zinc/80/21/23/602802123.db2.gz JWWIGLDPEZCPIR-GFCCVEGCSA-N -1 0 358.395 -0.697 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCCOC[C@@H]2CCCO2)CC1 ZINC000740443473 602801915 /nfs/dbraw/zinc/80/19/15/602801915.db2.gz JWWIGLDPEZCPIR-LBPRGKRZSA-N -1 0 358.395 -0.697 20 0 FBADRM O=C([O-])N1CCc2ccc(NC(=O)C(=O)NCCOCCO)cc2C1 ZINC000740443496 603428606 /nfs/dbraw/zinc/42/86/06/603428606.db2.gz KONNNHCDPHQTKF-UHFFFAOYSA-N -1 0 351.359 -0.214 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000740443608 602517175 /nfs/dbraw/zinc/51/71/75/602517175.db2.gz MSRQHKXEULQOGG-JTQLQIEISA-N -1 0 351.450 -0.376 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000740443613 602517098 /nfs/dbraw/zinc/51/70/98/602517098.db2.gz MSRQHKXEULQOGG-SNVBAGLBSA-N -1 0 351.450 -0.376 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCCOC[C@@H]2CCOC2)CC1 ZINC000740444073 602749497 /nfs/dbraw/zinc/74/94/97/602749497.db2.gz NICJLSYSHBZMBB-GFCCVEGCSA-N -1 0 358.395 -0.839 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCCOC[C@H]2CCOC2)CC1 ZINC000740444074 602749463 /nfs/dbraw/zinc/74/94/63/602749463.db2.gz NICJLSYSHBZMBB-LBPRGKRZSA-N -1 0 358.395 -0.839 20 0 FBADRM O=C([O-])N1CCc2c(cccc2NC(=O)C(=O)NCCOCCO)C1 ZINC000740444131 603428798 /nfs/dbraw/zinc/42/87/98/603428798.db2.gz OCYYBHZZSRQKSC-UHFFFAOYSA-N -1 0 351.359 -0.214 20 0 FBADRM O=C([O-])N1CSC[C@@H]1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000740444700 602517153 /nfs/dbraw/zinc/51/71/53/602517153.db2.gz SSAQZAFVWCKPRG-SECBINFHSA-N -1 0 369.490 -0.466 20 0 FBADRM O=C([O-])N1CSC[C@H]1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000740444703 602517234 /nfs/dbraw/zinc/51/72/34/602517234.db2.gz SSAQZAFVWCKPRG-VIFPVBQESA-N -1 0 369.490 -0.466 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000740445110 602599608 /nfs/dbraw/zinc/59/96/08/602599608.db2.gz UKFSJDDCBFNEBQ-LLVKDONJSA-N -1 0 364.424 -0.910 20 0 FBADRM O=C([O-])N1CCC[C@H]1CNC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000740445111 602599587 /nfs/dbraw/zinc/59/95/87/602599587.db2.gz UKFSJDDCBFNEBQ-NSHDSACASA-N -1 0 364.424 -0.910 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCCOc2cccnc2)CC1 ZINC000740445145 603140088 /nfs/dbraw/zinc/14/00/88/603140088.db2.gz VLIAZUQIBQHNBT-UHFFFAOYSA-N -1 0 351.363 -0.418 20 0 FBADRM O=C([O-])N1CSC[C@H]1C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000740445154 602729612 /nfs/dbraw/zinc/72/96/12/602729612.db2.gz VTFLLIRRQNFCAT-JTQLQIEISA-N -1 0 351.450 -0.125 20 0 FBADRM O=C([O-])N1CSC[C@@H]1C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000740445155 602729661 /nfs/dbraw/zinc/72/96/61/602729661.db2.gz VTFLLIRRQNFCAT-SNVBAGLBSA-N -1 0 351.450 -0.125 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000740451277 602834286 /nfs/dbraw/zinc/83/42/86/602834286.db2.gz QWOUETMYECSRSK-CYBMUJFWSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000740451279 602835422 /nfs/dbraw/zinc/83/54/22/602835422.db2.gz QWOUETMYECSRSK-ZDUSSCGKSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCc1cccnc1N1CCOCC1 ZINC000740451560 602839524 /nfs/dbraw/zinc/83/95/24/602839524.db2.gz JUYXYBABCBAZMP-CYBMUJFWSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCc1cccnc1N1CCOCC1 ZINC000740451561 602839482 /nfs/dbraw/zinc/83/94/82/602839482.db2.gz JUYXYBABCBAZMP-ZDUSSCGKSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000740451575 603067129 /nfs/dbraw/zinc/06/71/29/603067129.db2.gz KFVPNPYTXUKXSA-CHWSQXEVSA-N -1 0 350.375 -0.352 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000740451576 603067004 /nfs/dbraw/zinc/06/70/04/603067004.db2.gz KFVPNPYTXUKXSA-OLZOCXBDSA-N -1 0 350.375 -0.352 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000740451577 603067397 /nfs/dbraw/zinc/06/73/97/603067397.db2.gz KFVPNPYTXUKXSA-QWHCGFSZSA-N -1 0 350.375 -0.352 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000740451578 603067399 /nfs/dbraw/zinc/06/73/99/603067399.db2.gz KFVPNPYTXUKXSA-STQMWFEESA-N -1 0 350.375 -0.352 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000740451940 602840873 /nfs/dbraw/zinc/84/08/73/602840873.db2.gz OUJAURPQEIPXPA-CYBMUJFWSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000740451942 602840709 /nfs/dbraw/zinc/84/07/09/602840709.db2.gz OUJAURPQEIPXPA-ZDUSSCGKSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCc1cccnc1N1CCOCC1 ZINC000740452481 603067353 /nfs/dbraw/zinc/06/73/53/603067353.db2.gz WYFOUQJAENJMJE-CHWSQXEVSA-N -1 0 350.375 -0.352 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCc1cccnc1N1CCOCC1 ZINC000740452483 603067379 /nfs/dbraw/zinc/06/73/79/603067379.db2.gz WYFOUQJAENJMJE-OLZOCXBDSA-N -1 0 350.375 -0.352 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCc1cccnc1N1CCOCC1 ZINC000740452484 603066968 /nfs/dbraw/zinc/06/69/68/603066968.db2.gz WYFOUQJAENJMJE-QWHCGFSZSA-N -1 0 350.375 -0.352 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCc1cccnc1N1CCOCC1 ZINC000740452486 603067348 /nfs/dbraw/zinc/06/73/48/603067348.db2.gz WYFOUQJAENJMJE-STQMWFEESA-N -1 0 350.375 -0.352 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000740458892 603419835 /nfs/dbraw/zinc/41/98/35/603419835.db2.gz YWRPVSCUCKIDLG-MRVPVSSYSA-N -1 0 363.309 -0.392 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000740458895 603419783 /nfs/dbraw/zinc/41/97/83/603419783.db2.gz YWRPVSCUCKIDLG-QMMMGPOBSA-N -1 0 363.309 -0.392 20 0 FBADRM O=C([O-])N1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-n3cncn3)nc2)C1 ZINC000740460696 603317402 /nfs/dbraw/zinc/31/74/02/603317402.db2.gz QYGYWUHRFKSUEX-LLVKDONJSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CCC[C@H](NC(=O)C(=O)Nc2ccc(-n3cncn3)nc2)C1 ZINC000740460698 605687689 /nfs/dbraw/zinc/68/76/89/605687689.db2.gz QYGYWUHRFKSUEX-NSHDSACASA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000740470494 603068858 /nfs/dbraw/zinc/06/88/58/603068858.db2.gz POBMNXAHNBVIIP-NEPJUHHUSA-N -1 0 362.342 -0.210 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000740470496 603068745 /nfs/dbraw/zinc/06/87/45/603068745.db2.gz POBMNXAHNBVIIP-NWDGAFQWSA-N -1 0 362.342 -0.210 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000740470498 603068654 /nfs/dbraw/zinc/06/86/54/603068654.db2.gz POBMNXAHNBVIIP-RYUDHWBXSA-N -1 0 362.342 -0.210 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000740470500 603068707 /nfs/dbraw/zinc/06/87/07/603068707.db2.gz POBMNXAHNBVIIP-VXGBXAGGSA-N -1 0 362.342 -0.210 20 0 FBADRM O=C([O-])N1CCc2cc(NC(=O)C(=O)N[C@@H]3CCS(=O)(=O)C3)ccc21 ZINC000740470794 602284539 /nfs/dbraw/zinc/28/45/39/602284539.db2.gz BTHDKANPQVANEY-LLVKDONJSA-N -1 0 367.383 -0.031 20 0 FBADRM O=C([O-])N1CCc2cc(NC(=O)C(=O)N[C@H]3CCS(=O)(=O)C3)ccc21 ZINC000740470796 602284546 /nfs/dbraw/zinc/28/45/46/602284546.db2.gz BTHDKANPQVANEY-NSHDSACASA-N -1 0 367.383 -0.031 20 0 FBADRM O=C([O-])N1CCc2cc(NC(=O)C(=O)N3CCS(=O)(=O)CC3)ccc21 ZINC000740471460 603156393 /nfs/dbraw/zinc/15/63/93/603156393.db2.gz GWWNYFYEADSGSP-UHFFFAOYSA-N -1 0 367.383 -0.077 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000740474843 602899052 /nfs/dbraw/zinc/89/90/52/602899052.db2.gz COXWDQNYJXXOJR-GFCCVEGCSA-N -1 0 353.379 -0.467 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000740474850 602898919 /nfs/dbraw/zinc/89/89/19/602898919.db2.gz COXWDQNYJXXOJR-LBPRGKRZSA-N -1 0 353.379 -0.467 20 0 FBADRM O=C([O-])N1CSC[C@@H]1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000740475055 603275801 /nfs/dbraw/zinc/27/58/01/603275801.db2.gz FOVBUOXHIKYDOM-LLVKDONJSA-N -1 0 369.403 -0.267 20 0 FBADRM O=C([O-])N1CSC[C@H]1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000740475057 603275879 /nfs/dbraw/zinc/27/58/79/603275879.db2.gz FOVBUOXHIKYDOM-NSHDSACASA-N -1 0 369.403 -0.267 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000740475140 602887835 /nfs/dbraw/zinc/88/78/35/602887835.db2.gz HPWQFIOKWNMOQX-CYBMUJFWSA-N -1 0 353.379 -0.467 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000740475141 602887894 /nfs/dbraw/zinc/88/78/94/602887894.db2.gz HPWQFIOKWNMOQX-ZDUSSCGKSA-N -1 0 353.379 -0.467 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000740475159 602912268 /nfs/dbraw/zinc/91/22/68/602912268.db2.gz IEWJVMLPSQOVKE-LLVKDONJSA-N -1 0 367.362 -0.941 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000740475160 602912405 /nfs/dbraw/zinc/91/24/05/602912405.db2.gz IEWJVMLPSQOVKE-NSHDSACASA-N -1 0 367.362 -0.941 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000740475303 603275791 /nfs/dbraw/zinc/27/57/91/603275791.db2.gz JCUOGDPBLFNIMM-GFCCVEGCSA-N -1 0 351.363 -0.177 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000740475306 603275849 /nfs/dbraw/zinc/27/58/49/603275849.db2.gz JCUOGDPBLFNIMM-LBPRGKRZSA-N -1 0 351.363 -0.177 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000740475420 602919160 /nfs/dbraw/zinc/91/91/60/602919160.db2.gz KFMFTNOBZHVVCI-GFCCVEGCSA-N -1 0 367.362 -0.941 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000740475422 602919414 /nfs/dbraw/zinc/91/94/14/602919414.db2.gz KFMFTNOBZHVVCI-LBPRGKRZSA-N -1 0 367.362 -0.941 20 0 FBADRM O=C([O-])N1CCC[C@H](NC(=O)C(=O)Nc2cccnc2-n2cncn2)C1 ZINC000740475552 605688069 /nfs/dbraw/zinc/68/80/69/605688069.db2.gz FDLFFXZJYXVGON-JTQLQIEISA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CCC[C@@H](NC(=O)C(=O)Nc2cccnc2-n2cncn2)C1 ZINC000740475554 603422633 /nfs/dbraw/zinc/42/26/33/603422633.db2.gz FDLFFXZJYXVGON-SNVBAGLBSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000740475709 602985711 /nfs/dbraw/zinc/98/57/11/602985711.db2.gz MXVKXYSJYUXEJA-LLVKDONJSA-N -1 0 351.363 -0.177 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000740475710 602985910 /nfs/dbraw/zinc/98/59/10/602985910.db2.gz MXVKXYSJYUXEJA-NSHDSACASA-N -1 0 351.363 -0.177 20 0 FBADRM O=C([O-])C1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000740475956 596932130 /nfs/dbraw/zinc/93/21/30/596932130.db2.gz BEGNIZDORJKFJO-NEPJUHHUSA-N -1 0 358.416 -0.655 20 0 FBADRM O=C([O-])C1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000740475959 596932311 /nfs/dbraw/zinc/93/23/11/596932311.db2.gz BEGNIZDORJKFJO-NWDGAFQWSA-N -1 0 358.416 -0.655 20 0 FBADRM O=C([O-])C1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000740475961 596931969 /nfs/dbraw/zinc/93/19/69/596931969.db2.gz BEGNIZDORJKFJO-RYUDHWBXSA-N -1 0 358.416 -0.655 20 0 FBADRM O=C([O-])C1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000740475963 596931958 /nfs/dbraw/zinc/93/19/58/596931958.db2.gz BEGNIZDORJKFJO-VXGBXAGGSA-N -1 0 358.416 -0.655 20 0 FBADRM O=C([O-])C1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000740475992 596933642 /nfs/dbraw/zinc/93/36/42/596933642.db2.gz CXOZXHBCIDHGFO-LLVKDONJSA-N -1 0 371.415 -0.525 20 0 FBADRM O=C([O-])C1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000740475993 596933879 /nfs/dbraw/zinc/93/38/79/596933879.db2.gz CXOZXHBCIDHGFO-NSHDSACASA-N -1 0 371.415 -0.525 20 0 FBADRM O=C([O-])[C@H]1CC(C(=O)N2CCS(=O)(=O)CC2)=NN1c1ccccc1 ZINC000740476016 596962620 /nfs/dbraw/zinc/96/26/20/596962620.db2.gz FXZKISVJJKXJKZ-CYBMUJFWSA-N -1 0 351.384 -0.037 20 0 FBADRM O=C([O-])[C@@H]1CC(C(=O)N2CCS(=O)(=O)CC2)=NN1c1ccccc1 ZINC000740476017 596962679 /nfs/dbraw/zinc/96/26/79/596962679.db2.gz FXZKISVJJKXJKZ-ZDUSSCGKSA-N -1 0 351.384 -0.037 20 0 FBADRM O=C([O-])N1CC[C@@H](C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000740476132 603276186 /nfs/dbraw/zinc/27/61/86/603276186.db2.gz SCWGPCRMLAAASB-LLVKDONJSA-N -1 0 351.363 -0.320 20 0 FBADRM O=C([O-])N1CC[C@H](C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000740476133 603276134 /nfs/dbraw/zinc/27/61/34/603276134.db2.gz SCWGPCRMLAAASB-NSHDSACASA-N -1 0 351.363 -0.320 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000740476555 603139160 /nfs/dbraw/zinc/13/91/60/603139160.db2.gz UNJRVRBWOPTBQT-CHWSQXEVSA-N -1 0 353.379 -0.733 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000740476556 603138932 /nfs/dbraw/zinc/13/89/32/603138932.db2.gz UNJRVRBWOPTBQT-OLZOCXBDSA-N -1 0 353.379 -0.733 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000740476557 603139056 /nfs/dbraw/zinc/13/90/56/603139056.db2.gz UNJRVRBWOPTBQT-QWHCGFSZSA-N -1 0 353.379 -0.733 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000740476558 603138786 /nfs/dbraw/zinc/13/87/86/603138786.db2.gz UNJRVRBWOPTBQT-STQMWFEESA-N -1 0 353.379 -0.733 20 0 FBADRM O=C([O-])N1CSC[C@H]1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000740476560 602984953 /nfs/dbraw/zinc/98/49/53/602984953.db2.gz UNXMRWJBWWEXIF-JTQLQIEISA-N -1 0 369.403 -0.267 20 0 FBADRM O=C([O-])N1CSC[C@@H]1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000740476561 602985883 /nfs/dbraw/zinc/98/58/83/602985883.db2.gz UNXMRWJBWWEXIF-SNVBAGLBSA-N -1 0 369.403 -0.267 20 0 FBADRM O=C([O-])C1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000740476766 596927656 /nfs/dbraw/zinc/92/76/56/596927656.db2.gz YKNSVXBLQAAGGW-AWEZNQCLSA-N -1 0 353.419 -0.510 20 0 FBADRM O=C([O-])C1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000740476767 596927757 /nfs/dbraw/zinc/92/77/57/596927757.db2.gz YKNSVXBLQAAGGW-CQSZACIVSA-N -1 0 353.419 -0.510 20 0 FBADRM O=C([O-])N1CC[C@@H](C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000740476921 603252995 /nfs/dbraw/zinc/25/29/95/603252995.db2.gz YLNYCQFSMXQLDB-LLVKDONJSA-N -1 0 351.363 -0.320 20 0 FBADRM O=C([O-])N1CC[C@H](C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000740476922 603252840 /nfs/dbraw/zinc/25/28/40/603252840.db2.gz YLNYCQFSMXQLDB-NSHDSACASA-N -1 0 351.363 -0.320 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000740476944 603348858 /nfs/dbraw/zinc/34/88/58/603348858.db2.gz ZKNAUJHOZWLJDG-LLVKDONJSA-N -1 0 366.378 -0.384 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000740476945 603348931 /nfs/dbraw/zinc/34/89/31/603348931.db2.gz ZKNAUJHOZWLJDG-NSHDSACASA-N -1 0 366.378 -0.384 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)C(=O)Nc2cccnc2N2CCOCC2)C1 ZINC000740477495 602648898 /nfs/dbraw/zinc/64/88/98/602648898.db2.gz XMSVNNWLBKJKAL-LLVKDONJSA-N -1 0 363.374 -0.275 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)C(=O)Nc2cccnc2N2CCOCC2)C1 ZINC000740477496 602648908 /nfs/dbraw/zinc/64/89/08/602648908.db2.gz XMSVNNWLBKJKAL-NSHDSACASA-N -1 0 363.374 -0.275 20 0 FBADRM O=C([O-])C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000740481824 596926520 /nfs/dbraw/zinc/92/65/20/596926520.db2.gz UVHADENONADDAF-UHFFFAOYSA-N -1 0 353.356 -0.298 20 0 FBADRM O=C([O-])CCNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000740481867 597116101 /nfs/dbraw/zinc/11/61/01/597116101.db2.gz HRBRBRXXWPKDIP-UHFFFAOYSA-N -1 0 362.429 -0.098 20 0 FBADRM O=C([O-])CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC000740482458 597044215 /nfs/dbraw/zinc/04/42/15/597044215.db2.gz AYUKLFXNSDCELD-UHFFFAOYSA-N -1 0 359.335 -0.495 20 0 FBADRM O=C([O-])CNC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000740482486 597046719 /nfs/dbraw/zinc/04/67/19/597046719.db2.gz FHQDLHGONOYGLC-UHFFFAOYSA-N -1 0 359.335 -0.495 20 0 FBADRM O=C([O-])CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000740482503 597047853 /nfs/dbraw/zinc/04/78/53/597047853.db2.gz GYHMDUFQGQKBAR-UHFFFAOYSA-N -1 0 365.411 -0.056 20 0 FBADRM O=C([O-])CNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000740482513 597047825 /nfs/dbraw/zinc/04/78/25/597047825.db2.gz JNKCWAMVVZYMFJ-UHFFFAOYSA-N -1 0 369.761 -0.048 20 0 FBADRM O=C([O-])CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000740482601 597081813 /nfs/dbraw/zinc/08/18/13/597081813.db2.gz ZNIVVRYPBCDESC-UHFFFAOYSA-N -1 0 359.335 -0.594 20 0 FBADRM O=C([O-])CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000740482722 597046372 /nfs/dbraw/zinc/04/63/72/597046372.db2.gz AUESYQMRVJOEBJ-UHFFFAOYSA-N -1 0 355.372 -0.390 20 0 FBADRM O=C([O-])CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000740482789 597044029 /nfs/dbraw/zinc/04/40/29/597044029.db2.gz GMXLNYMBSRGBJS-UHFFFAOYSA-N -1 0 355.372 -0.390 20 0 FBADRM O=C([O-])CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000740482970 597045566 /nfs/dbraw/zinc/04/55/66/597045566.db2.gz JNQJSNDOOPTIQY-UHFFFAOYSA-N -1 0 354.750 -0.585 20 0 FBADRM O=C([O-])CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000740483220 597044772 /nfs/dbraw/zinc/04/47/72/597044772.db2.gz RBRQVWSLTHBDAX-UHFFFAOYSA-N -1 0 368.371 -0.704 20 0 FBADRM O=C([O-])CNC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000740483268 597047316 /nfs/dbraw/zinc/04/73/16/597047316.db2.gz UUGODJYDJDCDSV-UHFFFAOYSA-N -1 0 369.337 -0.316 20 0 FBADRM O=C([O-])CNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000740483276 597047257 /nfs/dbraw/zinc/04/72/57/597047257.db2.gz VKYSMPLOARZILQ-UHFFFAOYSA-N -1 0 364.358 -0.903 20 0 FBADRM O=C([O-])CNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000740483287 597044795 /nfs/dbraw/zinc/04/47/95/597044795.db2.gz WCXJSTRQBUVETM-UHFFFAOYSA-N -1 0 355.372 -0.939 20 0 FBADRM O=C([O-])CNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC000740483289 597043126 /nfs/dbraw/zinc/04/31/26/597043126.db2.gz WHUIZIXOXOQGFT-LLVKDONJSA-N -1 0 370.383 -0.221 20 0 FBADRM O=C([O-])CNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000740483290 597043401 /nfs/dbraw/zinc/04/34/01/597043401.db2.gz WHUIZIXOXOQGFT-NSHDSACASA-N -1 0 370.383 -0.221 20 0 FBADRM O=C([O-])CSCC(=O)N1CCN(CC(=O)Nc2nncs2)CC1 ZINC000740485702 597101833 /nfs/dbraw/zinc/10/18/33/597101833.db2.gz JOQQQSOHUFCAJY-UHFFFAOYSA-N -1 0 359.433 -0.561 20 0 FBADRM O=C([O-])CSCC(=O)NCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12 ZINC000740486991 597104828 /nfs/dbraw/zinc/10/48/28/597104828.db2.gz AKRAFZLGPZRBNH-UHFFFAOYSA-N -1 0 366.355 -0.087 20 0 FBADRM O=C([O-])N(CCNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CC1 ZINC000740488924 602045519 /nfs/dbraw/zinc/04/55/19/602045519.db2.gz SNOLDIJVZWQHJW-UHFFFAOYSA-N -1 0 368.371 -0.363 20 0 FBADRM O=C([O-])N(CC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C[C@@H]1CCCO1 ZINC000740489833 602826879 /nfs/dbraw/zinc/82/68/79/602826879.db2.gz DQLKFQPNWVLNFP-KBPBESRZSA-N -1 0 369.418 -0.005 20 0 FBADRM O=C([O-])N(CC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C[C@H]1CCCO1 ZINC000740489835 602826865 /nfs/dbraw/zinc/82/68/65/602826865.db2.gz DQLKFQPNWVLNFP-KGLIPLIRSA-N -1 0 369.418 -0.005 20 0 FBADRM O=C([O-])N(CC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C[C@@H]1CCCO1 ZINC000740489837 602826949 /nfs/dbraw/zinc/82/69/49/602826949.db2.gz DQLKFQPNWVLNFP-UONOGXRCSA-N -1 0 369.418 -0.005 20 0 FBADRM O=C([O-])N(CC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C[C@H]1CCCO1 ZINC000740489839 602826967 /nfs/dbraw/zinc/82/69/67/602826967.db2.gz DQLKFQPNWVLNFP-ZIAGYGMSSA-N -1 0 369.418 -0.005 20 0 FBADRM O=C([O-])N(CC(=O)N1CCO[C@@H](Cn2cncn2)C1)C[C@H]1CCCO1 ZINC000740492676 602913691 /nfs/dbraw/zinc/91/36/91/602913691.db2.gz SKKVFVCRXJQRQX-CHWSQXEVSA-N -1 0 353.379 -0.336 20 0 FBADRM O=C([O-])N(CC(=O)N1CCO[C@H](Cn2cncn2)C1)C[C@H]1CCCO1 ZINC000740492679 602913802 /nfs/dbraw/zinc/91/38/02/602913802.db2.gz SKKVFVCRXJQRQX-OLZOCXBDSA-N -1 0 353.379 -0.336 20 0 FBADRM O=C([O-])N(CC(=O)N1CCO[C@@H](Cn2cncn2)C1)C[C@@H]1CCCO1 ZINC000740492682 602913797 /nfs/dbraw/zinc/91/37/97/602913797.db2.gz SKKVFVCRXJQRQX-QWHCGFSZSA-N -1 0 353.379 -0.336 20 0 FBADRM O=C([O-])N(CC(=O)N1CCO[C@H](Cn2cncn2)C1)C[C@@H]1CCCO1 ZINC000740492687 602913689 /nfs/dbraw/zinc/91/36/89/602913689.db2.gz SKKVFVCRXJQRQX-STQMWFEESA-N -1 0 353.379 -0.336 20 0 FBADRM O=C([O-])N1CC[C@@H](C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000740494169 603282616 /nfs/dbraw/zinc/28/26/16/603282616.db2.gz OCUSARDKFKSSGH-GFCCVEGCSA-N -1 0 352.391 -0.721 20 0 FBADRM O=C([O-])N1CC[C@H](C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000740494171 603282627 /nfs/dbraw/zinc/28/26/27/603282627.db2.gz OCUSARDKFKSSGH-LBPRGKRZSA-N -1 0 352.391 -0.721 20 0 FBADRM O=C([O-])N1CC[C@@](CC(=O)N2CCOCC2)(C(=O)N2CCOCC2)C1 ZINC000740495641 603084760 /nfs/dbraw/zinc/08/47/60/603084760.db2.gz DYNWVFVZRQYDEA-INIZCTEOSA-N -1 0 355.391 -0.536 20 0 FBADRM O=C([O-])N1CC[C@](CC(=O)N2CCOCC2)(C(=O)N2CCOCC2)C1 ZINC000740495643 603085113 /nfs/dbraw/zinc/08/51/13/603085113.db2.gz DYNWVFVZRQYDEA-MRXNPFEDSA-N -1 0 355.391 -0.536 20 0 FBADRM O=C([O-])N1CC[C@H](CCNS(=O)(=O)C2CCS(=O)(=O)CC2)C1 ZINC000740496109 602457121 /nfs/dbraw/zinc/45/71/21/602457121.db2.gz BXFGIQVXSFGJCX-JTQLQIEISA-N -1 0 354.450 -0.127 20 0 FBADRM O=C([O-])N1CC[C@@H](CCNS(=O)(=O)C2CCS(=O)(=O)CC2)C1 ZINC000740496110 602457187 /nfs/dbraw/zinc/45/71/87/602457187.db2.gz BXFGIQVXSFGJCX-SNVBAGLBSA-N -1 0 354.450 -0.127 20 0 FBADRM O=C([O-])N1CCC(CNS(=O)(=O)C2CCS(=O)(=O)CC2)CC1 ZINC000740496572 601986892 /nfs/dbraw/zinc/98/68/92/601986892.db2.gz NFPSKPFNAWDEAN-UHFFFAOYSA-N -1 0 354.450 -0.127 20 0 FBADRM O=C([O-])N1CC[C@H](CN2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000740504580 603324665 /nfs/dbraw/zinc/32/46/65/603324665.db2.gz ZOQPPEPAYJKRAQ-CYBMUJFWSA-N -1 0 362.452 -0.819 20 0 FBADRM O=C([O-])N1CC[C@@H](CN2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000740504582 603324598 /nfs/dbraw/zinc/32/45/98/603324598.db2.gz ZOQPPEPAYJKRAQ-ZDUSSCGKSA-N -1 0 362.452 -0.819 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000740505625 602580985 /nfs/dbraw/zinc/58/09/85/602580985.db2.gz PTLDSBKIVCNVFW-GFCCVEGCSA-N -1 0 367.406 -0.785 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000740505626 602581249 /nfs/dbraw/zinc/58/12/49/602581249.db2.gz PTLDSBKIVCNVFW-LBPRGKRZSA-N -1 0 367.406 -0.785 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000740506006 602577541 /nfs/dbraw/zinc/57/75/41/602577541.db2.gz USVUFIBHTMPDDZ-CYBMUJFWSA-N -1 0 353.423 -0.312 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000740506009 602577549 /nfs/dbraw/zinc/57/75/49/602577549.db2.gz USVUFIBHTMPDDZ-ZDUSSCGKSA-N -1 0 353.423 -0.312 20 0 FBADRM O=C([O-])N1CC[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000740506170 602567791 /nfs/dbraw/zinc/56/77/91/602567791.db2.gz HNGZQBCNDDJRMQ-SSDOTTSWSA-N -1 0 354.344 -0.753 20 0 FBADRM O=C([O-])N1CC[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000740506172 602567981 /nfs/dbraw/zinc/56/79/81/602567981.db2.gz HNGZQBCNDDJRMQ-ZETCQYMHSA-N -1 0 354.344 -0.753 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)N2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000740506365 603375698 /nfs/dbraw/zinc/37/56/98/603375698.db2.gz XSCALHWMZAWPHL-LLVKDONJSA-N -1 0 360.378 -0.292 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)N2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000740506366 603375943 /nfs/dbraw/zinc/37/59/43/603375943.db2.gz XSCALHWMZAWPHL-NSHDSACASA-N -1 0 360.378 -0.292 20 0 FBADRM O=C([O-])N1CCC2(CC1)NC(=O)N(CN1CCC3(CC1)OCCO3)C2=O ZINC000740506587 603047170 /nfs/dbraw/zinc/04/71/70/603047170.db2.gz JBFXPFKWXVQKHS-UHFFFAOYSA-N -1 0 368.390 -0.153 20 0 FBADRM O=C([O-])N1CCC2(CC1)NC(=O)N(CN1CCCS(=O)(=O)CC1)C2=O ZINC000740507059 603052559 /nfs/dbraw/zinc/05/25/59/603052559.db2.gz MZNPDWLLSMDPNA-UHFFFAOYSA-N -1 0 374.419 -0.871 20 0 FBADRM O=C([O-])N1CCC2(CC1)NC(=O)N(CN1CCc3cncnc3C1)C2=O ZINC000740507992 603050435 /nfs/dbraw/zinc/05/04/35/603050435.db2.gz WQWNEXHXOGVAEV-UHFFFAOYSA-N -1 0 360.374 -0.143 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)N3CCS(=O)(=O)CC3)nn2)CC1 ZINC000740508905 602328185 /nfs/dbraw/zinc/32/81/85/602328185.db2.gz GVUAKDPMYHZSCK-UHFFFAOYSA-N -1 0 357.392 -0.536 20 0 FBADRM O=C([O-])N1CCC2(CC1)NC(=O)N(CCn1nc3ccccn3c1=O)C2=O ZINC000740509409 603296369 /nfs/dbraw/zinc/29/63/69/603296369.db2.gz SZPFNCPWWFSIRJ-UHFFFAOYSA-N -1 0 374.357 -0.440 20 0 FBADRM O=C([O-])N1CCC[C@@H](CNS(=O)(=O)C2CCS(=O)(=O)CC2)C1 ZINC000740511212 601988697 /nfs/dbraw/zinc/98/86/97/601988697.db2.gz FKRCMUGRYGDJDZ-JTQLQIEISA-N -1 0 354.450 -0.127 20 0 FBADRM O=C([O-])N1CCC[C@H](CNS(=O)(=O)C2CCS(=O)(=O)CC2)C1 ZINC000740511214 601988893 /nfs/dbraw/zinc/98/88/93/601988893.db2.gz FKRCMUGRYGDJDZ-SNVBAGLBSA-N -1 0 354.450 -0.127 20 0 FBADRM O=C([O-])N1CCC[C@@H](CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000740512209 602703118 /nfs/dbraw/zinc/70/31/18/602703118.db2.gz NSFQEJUEJKXBEV-AWEZNQCLSA-N -1 0 368.434 -0.621 20 0 FBADRM O=C([O-])N1CCC[C@H](CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000740512210 602702780 /nfs/dbraw/zinc/70/27/80/602702780.db2.gz NSFQEJUEJKXBEV-CQSZACIVSA-N -1 0 368.434 -0.621 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000740518181 602593280 /nfs/dbraw/zinc/59/32/80/602593280.db2.gz CZVYBRDKMRKRBI-MRVPVSSYSA-N -1 0 368.371 -0.363 20 0 FBADRM O=C([O-])N1CCC[C@H]1CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000740518185 602593205 /nfs/dbraw/zinc/59/32/05/602593205.db2.gz CZVYBRDKMRKRBI-QMMMGPOBSA-N -1 0 368.371 -0.363 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000740524334 603145199 /nfs/dbraw/zinc/14/51/99/603145199.db2.gz CTGADXROYLQRID-SECBINFHSA-N -1 0 368.312 -0.219 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000740524335 603145239 /nfs/dbraw/zinc/14/52/39/603145239.db2.gz CTGADXROYLQRID-VIFPVBQESA-N -1 0 368.312 -0.219 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=S)NCCc2ccccn2)CC1 ZINC000740525151 602108064 /nfs/dbraw/zinc/10/80/64/602108064.db2.gz IPHQCUBGRHWXEO-UHFFFAOYSA-N -1 0 351.432 -0.090 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)C2(C(=O)NC3CC3)CCC2)CC1 ZINC000740525285 602463501 /nfs/dbraw/zinc/46/35/01/602463501.db2.gz OZCUXOMVNXEFPW-UHFFFAOYSA-N -1 0 352.391 -0.626 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNS(=O)(=O)c2cccnc2Cl)CC1 ZINC000740525375 602879727 /nfs/dbraw/zinc/87/97/27/602879727.db2.gz KYKUZXFJBWGHPM-UHFFFAOYSA-N -1 0 362.795 -0.165 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=S)NCCc2cccnc2)CC1 ZINC000740525444 602102496 /nfs/dbraw/zinc/10/24/96/602102496.db2.gz QPOMJTMXTGZNKX-UHFFFAOYSA-N -1 0 351.432 -0.090 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC[C@@H](Cn3cncn3)C2)C(=O)C1 ZINC000740525619 603032470 /nfs/dbraw/zinc/03/24/70/603032470.db2.gz CIPHSMAKFNNEJJ-GFCCVEGCSA-N -1 0 350.379 -0.661 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC[C@H](Cn3cncn3)C2)C(=O)C1 ZINC000740525622 603032806 /nfs/dbraw/zinc/03/28/06/603032806.db2.gz CIPHSMAKFNNEJJ-LBPRGKRZSA-N -1 0 350.379 -0.661 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCCN(c3cccnn3)CC2)C(=O)C1 ZINC000740525711 603027659 /nfs/dbraw/zinc/02/76/59/603027659.db2.gz DOAZLGJBAKZOTB-UHFFFAOYSA-N -1 0 362.390 -0.663 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC(Nc3cccnn3)CC2)C(=O)C1 ZINC000740525714 603027491 /nfs/dbraw/zinc/02/74/91/603027491.db2.gz DRVWSNZMCLAABJ-UHFFFAOYSA-N -1 0 362.390 -0.298 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCN(C(=O)N3CCCC3)CC2)C(=O)C1 ZINC000740525752 603014674 /nfs/dbraw/zinc/01/46/74/603014674.db2.gz DZFHAKWZFCETAF-UHFFFAOYSA-N -1 0 367.406 -0.831 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCN(Cc3cccnc3)CC2)C(=O)C1 ZINC000740525769 603016490 /nfs/dbraw/zinc/01/64/90/603016490.db2.gz FFNIAYQHNYMYBN-UHFFFAOYSA-N -1 0 361.402 -0.452 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCC[C@@H]2Cn2cncn2)CC1 ZINC000740525780 602719675 /nfs/dbraw/zinc/71/96/75/602719675.db2.gz UZOKMYKVTFYHBR-GFCCVEGCSA-N -1 0 365.394 -0.726 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCC[C@H]2Cn2cncn2)CC1 ZINC000740525783 602719696 /nfs/dbraw/zinc/71/96/96/602719696.db2.gz UZOKMYKVTFYHBR-LBPRGKRZSA-N -1 0 365.394 -0.726 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCC(C3OCCO3)CC2)CC1 ZINC000740525814 602282978 /nfs/dbraw/zinc/28/29/78/602282978.db2.gz VXBZNVSOVKIGLU-UHFFFAOYSA-N -1 0 370.406 -0.397 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCC[C@@H]2Cn2cccn2)CC1 ZINC000740525829 602909336 /nfs/dbraw/zinc/90/93/36/602909336.db2.gz WHNZPBXCAVTYEF-CYBMUJFWSA-N -1 0 364.406 -0.121 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCC[C@H]2Cn2cccn2)CC1 ZINC000740525830 602909292 /nfs/dbraw/zinc/90/92/92/602909292.db2.gz WHNZPBXCAVTYEF-ZDUSSCGKSA-N -1 0 364.406 -0.121 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCN(C[C@H]3CCCO3)CC2)C(=O)C1 ZINC000740525987 603014286 /nfs/dbraw/zinc/01/42/86/603014286.db2.gz FPDKKLWMYWSASQ-CYBMUJFWSA-N -1 0 354.407 -0.868 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCN(C[C@@H]3CCCO3)CC2)C(=O)C1 ZINC000740525988 603014429 /nfs/dbraw/zinc/01/44/29/603014429.db2.gz FPDKKLWMYWSASQ-ZDUSSCGKSA-N -1 0 354.407 -0.868 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCCC[C@H]2CN2CCOCC2)C(=O)C1 ZINC000740526012 603009551 /nfs/dbraw/zinc/00/95/51/603009551.db2.gz GRERDWYWDCLZDQ-AWEZNQCLSA-N -1 0 368.434 -0.478 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCCC[C@@H]2CN2CCOCC2)C(=O)C1 ZINC000740526013 603009442 /nfs/dbraw/zinc/00/94/42/603009442.db2.gz GRERDWYWDCLZDQ-CQSZACIVSA-N -1 0 368.434 -0.478 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)C(=O)C1 ZINC000740526044 603029134 /nfs/dbraw/zinc/02/91/34/603029134.db2.gz HRRMWONJHXUDLH-CYBMUJFWSA-N -1 0 366.418 -0.330 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)C(=O)C1 ZINC000740526046 603029805 /nfs/dbraw/zinc/02/98/05/603029805.db2.gz HRRMWONJHXUDLH-ZDUSSCGKSA-N -1 0 366.418 -0.330 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCN(Cc3ccncc3)CC2)C(=O)C1 ZINC000740526050 603014323 /nfs/dbraw/zinc/01/43/23/603014323.db2.gz HVSKKLQZSYTPKR-UHFFFAOYSA-N -1 0 361.402 -0.452 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCN(c3ccc(O)cc3)CC2)C(=O)C1 ZINC000740526067 603102088 /nfs/dbraw/zinc/10/20/88/603102088.db2.gz IFXGEYRSMJPQGC-UHFFFAOYSA-N -1 0 362.386 -0.137 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCN(CC(F)(F)F)CC2)C(=O)C1 ZINC000740526089 603014747 /nfs/dbraw/zinc/01/47/47/603014747.db2.gz IUJHRTPKMCETDJ-UHFFFAOYSA-N -1 0 352.313 -0.485 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCO[C@H](c3nccs3)C2)C(=O)C1 ZINC000740526110 603029859 /nfs/dbraw/zinc/02/98/59/603029859.db2.gz JDUOWGIOXLBDOQ-JTQLQIEISA-N -1 0 354.388 -0.135 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCO[C@@H](c3nccs3)C2)C(=O)C1 ZINC000740526112 603029785 /nfs/dbraw/zinc/02/97/85/603029785.db2.gz JDUOWGIOXLBDOQ-SNVBAGLBSA-N -1 0 354.388 -0.135 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCCC[C@@H]2C2OCCO2)CC1 ZINC000740526117 602620893 /nfs/dbraw/zinc/62/08/93/602620893.db2.gz XHVJOYQRAKXSCI-GFCCVEGCSA-N -1 0 370.406 -0.254 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCCC[C@H]2C2OCCO2)CC1 ZINC000740526119 602620769 /nfs/dbraw/zinc/62/07/69/602620769.db2.gz XHVJOYQRAKXSCI-LBPRGKRZSA-N -1 0 370.406 -0.254 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)CC1 ZINC000740526183 603304536 /nfs/dbraw/zinc/30/45/36/603304536.db2.gz YQNYZBDSUPMRFL-LLVKDONJSA-N -1 0 371.419 -0.367 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)CC1 ZINC000740526184 603304906 /nfs/dbraw/zinc/30/49/06/603304906.db2.gz YQNYZBDSUPMRFL-NSHDSACASA-N -1 0 371.419 -0.367 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CC[C@H](N3CCOCC3)C2)CC1 ZINC000740526237 603075790 /nfs/dbraw/zinc/07/57/90/603075790.db2.gz BLIVFLZDSALJPI-AWEZNQCLSA-N -1 0 355.439 -0.602 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000740526238 603075406 /nfs/dbraw/zinc/07/54/06/603075406.db2.gz BLIVFLZDSALJPI-CQSZACIVSA-N -1 0 355.439 -0.602 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CCN(c3cccnn3)CC2)CC1 ZINC000740526261 602146713 /nfs/dbraw/zinc/14/67/13/602146713.db2.gz CQARXMBUWMDSFK-UHFFFAOYSA-N -1 0 363.422 -0.396 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CSC[C@@H]2C(=O)N2CCCC2)C(=O)C1 ZINC000740526269 603005040 /nfs/dbraw/zinc/00/50/40/603005040.db2.gz CZYGXEIBQKMEBC-LLVKDONJSA-N -1 0 370.431 -0.668 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CSC[C@H]2C(=O)N2CCCC2)C(=O)C1 ZINC000740526270 603004953 /nfs/dbraw/zinc/00/49/53/603004953.db2.gz CZYGXEIBQKMEBC-NSHDSACASA-N -1 0 370.431 -0.668 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCC[C@@H](C3OCCO3)C2)CC1 ZINC000740526312 602622257 /nfs/dbraw/zinc/62/22/57/602622257.db2.gz ZVDOPWZYOIIWSR-GFCCVEGCSA-N -1 0 370.406 -0.397 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCC[C@H](C3OCCO3)C2)CC1 ZINC000740526313 602622261 /nfs/dbraw/zinc/62/22/61/602622261.db2.gz ZVDOPWZYOIIWSR-LBPRGKRZSA-N -1 0 370.406 -0.397 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC[C@@H](N3CCCC3=O)C2)C(=O)C1 ZINC000740526592 603029984 /nfs/dbraw/zinc/02/99/84/603029984.db2.gz LYILBKHFNQPKJY-GFCCVEGCSA-N -1 0 352.391 -0.578 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC[C@H](N3CCCC3=O)C2)C(=O)C1 ZINC000740526594 603029739 /nfs/dbraw/zinc/02/97/39/603029739.db2.gz LYILBKHFNQPKJY-LBPRGKRZSA-N -1 0 352.391 -0.578 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CCn3c(nnc3C3CC3)C2)CC1 ZINC000740526722 602623592 /nfs/dbraw/zinc/62/35/92/602623592.db2.gz JDXBLVXVJIDYOD-UHFFFAOYSA-N -1 0 363.422 -0.024 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCN(Cc3cscn3)CC2)C(=O)C1 ZINC000740526998 603020198 /nfs/dbraw/zinc/02/01/98/603020198.db2.gz OWMVKYLPZWLWKM-UHFFFAOYSA-N -1 0 367.431 -0.391 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC(N3CCCC3=O)CC2)C(=O)C1 ZINC000740527060 603027516 /nfs/dbraw/zinc/02/75/16/603027516.db2.gz POMZLBIQRSAKGT-UHFFFAOYSA-N -1 0 352.391 -0.578 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCN(C(=O)c3ccccc3)CC2)C(=O)C1 ZINC000740527066 602985463 /nfs/dbraw/zinc/98/54/63/602985463.db2.gz PPGVNHYYZBMGDZ-UHFFFAOYSA-N -1 0 374.397 -0.207 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCCC[C@@H]2CN2CCCC2=O)C(=O)C1 ZINC000740527108 603005313 /nfs/dbraw/zinc/00/53/13/603005313.db2.gz PSKJBUNCQASRSZ-CYBMUJFWSA-N -1 0 366.418 -0.188 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCCC[C@H]2CN2CCCC2=O)C(=O)C1 ZINC000740527112 603005115 /nfs/dbraw/zinc/00/51/15/603005115.db2.gz PSKJBUNCQASRSZ-ZDUSSCGKSA-N -1 0 366.418 -0.188 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCN(Cc3ccco3)CC2)C(=O)C1 ZINC000740527142 603014299 /nfs/dbraw/zinc/01/42/99/603014299.db2.gz QAIYIAXTKDPMGR-UHFFFAOYSA-N -1 0 350.375 -0.254 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCN(c3ccccc3O)CC2)C(=O)C1 ZINC000740527182 603102082 /nfs/dbraw/zinc/10/20/82/603102082.db2.gz QIEBRAMJZWKTRI-UHFFFAOYSA-N -1 0 362.386 -0.137 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CCC[C@@H]2Cn2cncn2)CC1 ZINC000740527451 602725587 /nfs/dbraw/zinc/72/55/87/602725587.db2.gz VLVRKAKITMYFQX-CYBMUJFWSA-N -1 0 351.411 -0.252 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CCC[C@H]2Cn2cncn2)CC1 ZINC000740527453 602725737 /nfs/dbraw/zinc/72/57/37/602725737.db2.gz VLVRKAKITMYFQX-ZDUSSCGKSA-N -1 0 351.411 -0.252 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C(=O)C1 ZINC000740527676 602983899 /nfs/dbraw/zinc/98/38/99/602983899.db2.gz TVQOGULRDJYLKY-UHFFFAOYSA-N -1 0 364.358 -0.614 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCN(Cc3ccccn3)CC2)C(=O)C1 ZINC000740527687 603014705 /nfs/dbraw/zinc/01/47/05/603014705.db2.gz UCAAIUGQDKNJRJ-UHFFFAOYSA-N -1 0 361.402 -0.452 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCN(c3nccs3)CC2)C(=O)C1 ZINC000740527720 603014789 /nfs/dbraw/zinc/01/47/89/603014789.db2.gz URSOOIAQGSPSDF-UHFFFAOYSA-N -1 0 353.404 -0.386 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)N2CC[C@H](N3CCOCC3)C2)CC1 ZINC000740527750 603074563 /nfs/dbraw/zinc/07/45/63/603074563.db2.gz WQLKQNXGYIXLGE-HNNXBMFYSA-N -1 0 369.466 -0.212 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)N2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000740527751 603074489 /nfs/dbraw/zinc/07/44/89/603074489.db2.gz WQLKQNXGYIXLGE-OAHLLOKOSA-N -1 0 369.466 -0.212 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CCO[C@H](Cn3cccn3)C2)CC1 ZINC000740527815 602623603 /nfs/dbraw/zinc/62/36/03/602623603.db2.gz ZGSKEMVISDOELA-AWEZNQCLSA-N -1 0 366.422 -0.411 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CCO[C@@H](Cn3cccn3)C2)CC1 ZINC000740527817 602623577 /nfs/dbraw/zinc/62/35/77/602623577.db2.gz ZGSKEMVISDOELA-CQSZACIVSA-N -1 0 366.422 -0.411 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C(=O)C1 ZINC000740527967 602988966 /nfs/dbraw/zinc/98/89/66/602988966.db2.gz WWNWXWZLXNLUBX-UHFFFAOYSA-N -1 0 366.418 -0.330 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC[C@@H](N3CCCCC3=O)C2)C(=O)C1 ZINC000740527987 603029673 /nfs/dbraw/zinc/02/96/73/603029673.db2.gz XUWWDEVZVKIISF-CYBMUJFWSA-N -1 0 366.418 -0.188 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC[C@H](N3CCCCC3=O)C2)C(=O)C1 ZINC000740527988 603029799 /nfs/dbraw/zinc/02/97/99/603029799.db2.gz XUWWDEVZVKIISF-ZDUSSCGKSA-N -1 0 366.418 -0.188 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCCN(CC(F)(F)F)CC2)C(=O)C1 ZINC000740528018 603019965 /nfs/dbraw/zinc/01/99/65/603019965.db2.gz YRUREHYSFISJKT-UHFFFAOYSA-N -1 0 366.340 -0.095 20 0 FBADRM O=C([O-])NC1(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CCCC1 ZINC000740531794 601919012 /nfs/dbraw/zinc/91/90/12/601919012.db2.gz BEEJZQGANNPGME-GFCCVEGCSA-N -1 0 359.448 -0.102 20 0 FBADRM O=C([O-])NC1(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CCCC1 ZINC000740531795 601919038 /nfs/dbraw/zinc/91/90/38/601919038.db2.gz BEEJZQGANNPGME-LBPRGKRZSA-N -1 0 359.448 -0.102 20 0 FBADRM O=C([O-])NC1(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CCCCC1 ZINC000740532164 602027561 /nfs/dbraw/zinc/02/75/61/602027561.db2.gz CUQUCUKGIABWER-UHFFFAOYSA-N -1 0 365.394 -0.686 20 0 FBADRM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000740532591 602308706 /nfs/dbraw/zinc/30/87/06/602308706.db2.gz AXKXXICJEVQYKN-AWEZNQCLSA-N -1 0 369.443 -0.288 20 0 FBADRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000740532592 602308801 /nfs/dbraw/zinc/30/88/01/602308801.db2.gz AXKXXICJEVQYKN-CQSZACIVSA-N -1 0 369.443 -0.288 20 0 FBADRM O=C([O-])NC1(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCCC1 ZINC000740532689 602346719 /nfs/dbraw/zinc/34/67/19/602346719.db2.gz HXESZHXFAWQUKV-UHFFFAOYSA-N -1 0 368.434 -0.430 20 0 FBADRM O=C([O-])NC1(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCCC1 ZINC000740532744 602362035 /nfs/dbraw/zinc/36/20/35/602362035.db2.gz JUKYTJAUUUGPBW-UHFFFAOYSA-N -1 0 368.434 -0.430 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)CN1CCS(=O)(=O)CC1)c1ccccc1 ZINC000740532947 603023924 /nfs/dbraw/zinc/02/39/24/603023924.db2.gz AQUBFGYROSTDPH-CYBMUJFWSA-N -1 0 355.416 -0.158 20 0 FBADRM O=C([O-])N[C@@H](CNC(=O)CN1CCS(=O)(=O)CC1)c1ccccc1 ZINC000740532951 603023580 /nfs/dbraw/zinc/02/35/80/603023580.db2.gz AQUBFGYROSTDPH-ZDUSSCGKSA-N -1 0 355.416 -0.158 20 0 FBADRM O=C([O-])NC1(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCCC1 ZINC000740533248 601862599 /nfs/dbraw/zinc/86/25/99/601862599.db2.gz KAYITQFEKXJAAC-UHFFFAOYSA-N -1 0 352.391 -0.484 20 0 FBADRM O=C([O-])NC1(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CCCC1 ZINC000740533269 601862730 /nfs/dbraw/zinc/86/27/30/601862730.db2.gz KCNCSARZYBXMIK-UHFFFAOYSA-N -1 0 366.418 -0.140 20 0 FBADRM O=C([O-])NC1(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCCC1 ZINC000740533357 603226955 /nfs/dbraw/zinc/22/69/55/603226955.db2.gz LVIPINBRSRLRGD-CYBMUJFWSA-N -1 0 368.434 -0.384 20 0 FBADRM O=C([O-])NC1(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCCC1 ZINC000740533358 603226852 /nfs/dbraw/zinc/22/68/52/603226852.db2.gz LVIPINBRSRLRGD-ZDUSSCGKSA-N -1 0 368.434 -0.384 20 0 FBADRM O=C([O-])NC1(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)CCCC1 ZINC000740534152 602395650 /nfs/dbraw/zinc/39/56/50/602395650.db2.gz BOWJXYLRECQJAP-JTQLQIEISA-N -1 0 361.420 -0.624 20 0 FBADRM O=C([O-])NC1(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)CCCC1 ZINC000740534156 602395542 /nfs/dbraw/zinc/39/55/42/602395542.db2.gz BOWJXYLRECQJAP-SNVBAGLBSA-N -1 0 361.420 -0.624 20 0 FBADRM O=C([O-])NC1(C(=O)NCCCN2C(=O)CNC2=O)Cc2ccccc2C1 ZINC000740536495 603178105 /nfs/dbraw/zinc/17/81/05/603178105.db2.gz MCYGMVKLEPCSFU-UHFFFAOYSA-N -1 0 360.370 -0.150 20 0 FBADRM O=C([O-])NC1(C(=O)NCC(=O)NCCN2CCOCC2)CCCCC1 ZINC000740537206 602544715 /nfs/dbraw/zinc/54/47/15/602544715.db2.gz SMPZMBWJKIKTIH-UHFFFAOYSA-N -1 0 356.423 -0.479 20 0 FBADRM O=C([O-])NC1(C(=O)NCCN2CCCS2(=O)=O)Cc2ccccc2C1 ZINC000740543359 603091634 /nfs/dbraw/zinc/09/16/34/603091634.db2.gz QUJSYASHFCLUAC-UHFFFAOYSA-N -1 0 367.427 -0.057 20 0 FBADRM O=C([O-])NC1CCC(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC000740550917 602027568 /nfs/dbraw/zinc/02/75/68/602027568.db2.gz BUSBMUHVUXPPJW-UHFFFAOYSA-N -1 0 365.394 -0.830 20 0 FBADRM O=C([O-])NC1CCC(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000740551023 601862682 /nfs/dbraw/zinc/86/26/82/601862682.db2.gz GHAHTKKXFMHCKZ-UHFFFAOYSA-N -1 0 366.418 -0.238 20 0 FBADRM O=C([O-])NC1CCC(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000740553070 601940795 /nfs/dbraw/zinc/94/07/95/601940795.db2.gz PXKUUEIEMXHBRU-UHFFFAOYSA-N -1 0 363.436 -0.409 20 0 FBADRM O=C([O-])NC1CCC(C(=O)NCC(=O)NCCN2CCOCC2)CC1 ZINC000740554626 602544448 /nfs/dbraw/zinc/54/44/48/602544448.db2.gz XNSVIAKZRDNZRO-UHFFFAOYSA-N -1 0 356.423 -0.623 20 0 FBADRM O=C([O-])NC1CCC(NC(=O)NCC2(O)CCS(=O)(=O)CC2)CC1 ZINC000740556227 603128863 /nfs/dbraw/zinc/12/88/63/603128863.db2.gz JKFDGCOXJAEPIZ-UHFFFAOYSA-N -1 0 363.436 -0.196 20 0 FBADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000740565557 603172431 /nfs/dbraw/zinc/17/24/31/603172431.db2.gz RJFUVDKECCUIEZ-AAEUAGOBSA-N -1 0 366.418 -0.238 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000740565559 603172422 /nfs/dbraw/zinc/17/24/22/603172422.db2.gz RJFUVDKECCUIEZ-DGCLKSJQSA-N -1 0 366.418 -0.238 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000740565560 603172479 /nfs/dbraw/zinc/17/24/79/603172479.db2.gz RJFUVDKECCUIEZ-WCQYABFASA-N -1 0 366.418 -0.238 20 0 FBADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000740565561 603172611 /nfs/dbraw/zinc/17/26/11/603172611.db2.gz RJFUVDKECCUIEZ-YPMHNXCESA-N -1 0 366.418 -0.238 20 0 FBADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000740568000 603258425 /nfs/dbraw/zinc/25/84/25/603258425.db2.gz YGHJERBDMUSXJR-NEPJUHHUSA-N -1 0 365.394 -0.830 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000740568001 603258191 /nfs/dbraw/zinc/25/81/91/603258191.db2.gz YGHJERBDMUSXJR-NWDGAFQWSA-N -1 0 365.394 -0.830 20 0 FBADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000740568002 603258403 /nfs/dbraw/zinc/25/84/03/603258403.db2.gz YGHJERBDMUSXJR-RYUDHWBXSA-N -1 0 365.394 -0.830 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000740568003 603258542 /nfs/dbraw/zinc/25/85/42/603258542.db2.gz YGHJERBDMUSXJR-VXGBXAGGSA-N -1 0 365.394 -0.830 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000740569147 602990743 /nfs/dbraw/zinc/99/07/43/602990743.db2.gz KMGJOQRXYISKNG-GHMZBOCLSA-N -1 0 365.477 -0.083 20 0 FBADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000740569152 602990756 /nfs/dbraw/zinc/99/07/56/602990756.db2.gz KMGJOQRXYISKNG-MNOVXSKESA-N -1 0 365.477 -0.083 20 0 FBADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000740569154 602990741 /nfs/dbraw/zinc/99/07/41/602990741.db2.gz KMGJOQRXYISKNG-QWRGUYRKSA-N -1 0 365.477 -0.083 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000740569177 602990736 /nfs/dbraw/zinc/99/07/36/602990736.db2.gz KMGJOQRXYISKNG-WDEREUQCSA-N -1 0 365.477 -0.083 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000740570208 603013985 /nfs/dbraw/zinc/01/39/85/603013985.db2.gz CMAAUSFIDAVCCF-FRRDWIJNSA-N -1 0 359.448 -0.246 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000740570212 603013537 /nfs/dbraw/zinc/01/35/37/603013537.db2.gz CMAAUSFIDAVCCF-JHJVBQTASA-N -1 0 359.448 -0.246 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000740570215 603013638 /nfs/dbraw/zinc/01/36/38/603013638.db2.gz CMAAUSFIDAVCCF-RWMBFGLXSA-N -1 0 359.448 -0.246 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000740570218 603013843 /nfs/dbraw/zinc/01/38/43/603013843.db2.gz CMAAUSFIDAVCCF-YNEHKIRRSA-N -1 0 359.448 -0.246 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000740573386 604574858 /nfs/dbraw/zinc/57/48/58/604574858.db2.gz GMGSVUFYJOHWFC-MRVPVSSYSA-N -1 0 363.309 -0.392 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000740573388 605119190 /nfs/dbraw/zinc/11/91/90/605119190.db2.gz GMGSVUFYJOHWFC-QMMMGPOBSA-N -1 0 363.309 -0.392 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000740573920 603025498 /nfs/dbraw/zinc/02/54/98/603025498.db2.gz JAVWAADJCRULAP-CHWSQXEVSA-N -1 0 366.418 -0.284 20 0 FBADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000740573922 603025529 /nfs/dbraw/zinc/02/55/29/603025529.db2.gz JAVWAADJCRULAP-OLZOCXBDSA-N -1 0 366.418 -0.284 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000740573924 603025399 /nfs/dbraw/zinc/02/53/99/603025399.db2.gz JAVWAADJCRULAP-QWHCGFSZSA-N -1 0 366.418 -0.284 20 0 FBADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000740573925 603025629 /nfs/dbraw/zinc/02/56/29/603025629.db2.gz JAVWAADJCRULAP-STQMWFEESA-N -1 0 366.418 -0.284 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000740573986 603054328 /nfs/dbraw/zinc/05/43/28/603054328.db2.gz JHGNSCLBMASERC-BFHYXJOUSA-N -1 0 368.434 -0.528 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000740573988 603053979 /nfs/dbraw/zinc/05/39/79/603053979.db2.gz JHGNSCLBMASERC-HZSPNIEDSA-N -1 0 368.434 -0.528 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000740573990 603054364 /nfs/dbraw/zinc/05/43/64/603054364.db2.gz JHGNSCLBMASERC-MELADBBJSA-N -1 0 368.434 -0.528 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000740573993 603054507 /nfs/dbraw/zinc/05/45/07/603054507.db2.gz JHGNSCLBMASERC-MGPQQGTHSA-N -1 0 368.434 -0.528 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NCC(=O)NCCN2CCOCC2)C1 ZINC000740574106 603265820 /nfs/dbraw/zinc/26/58/20/603265820.db2.gz ZOBVOFPAFXQHJJ-CHWSQXEVSA-N -1 0 356.423 -0.623 20 0 FBADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)NCC(=O)NCCN2CCOCC2)C1 ZINC000740574108 603265816 /nfs/dbraw/zinc/26/58/16/603265816.db2.gz ZOBVOFPAFXQHJJ-OLZOCXBDSA-N -1 0 356.423 -0.623 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)NCC(=O)NCCN2CCOCC2)C1 ZINC000740574110 603265724 /nfs/dbraw/zinc/26/57/24/603265724.db2.gz ZOBVOFPAFXQHJJ-QWHCGFSZSA-N -1 0 356.423 -0.623 20 0 FBADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)NCC(=O)NCCN2CCOCC2)C1 ZINC000740574112 603265970 /nfs/dbraw/zinc/26/59/70/603265970.db2.gz ZOBVOFPAFXQHJJ-STQMWFEESA-N -1 0 356.423 -0.623 20 0 FBADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000740574677 603014014 /nfs/dbraw/zinc/01/40/14/603014014.db2.gz KMSYCTMMCWYNPZ-KBPBESRZSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000740574679 603013671 /nfs/dbraw/zinc/01/36/71/603013671.db2.gz KMSYCTMMCWYNPZ-KGLIPLIRSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000740574682 603013690 /nfs/dbraw/zinc/01/36/90/603013690.db2.gz KMSYCTMMCWYNPZ-UONOGXRCSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000740574685 603013534 /nfs/dbraw/zinc/01/35/34/603013534.db2.gz KMSYCTMMCWYNPZ-ZIAGYGMSSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000740577870 603022973 /nfs/dbraw/zinc/02/29/73/603022973.db2.gz RUWREOHOMIUZMY-GARJFASQSA-N -1 0 361.420 -0.768 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000740577872 603022904 /nfs/dbraw/zinc/02/29/04/603022904.db2.gz RUWREOHOMIUZMY-GMTAPVOTSA-N -1 0 361.420 -0.768 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000740577874 603022626 /nfs/dbraw/zinc/02/26/26/603022626.db2.gz RUWREOHOMIUZMY-HBNTYKKESA-N -1 0 361.420 -0.768 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000740577876 603022975 /nfs/dbraw/zinc/02/29/75/603022975.db2.gz RUWREOHOMIUZMY-OUAUKWLOSA-N -1 0 361.420 -0.768 20 0 FBADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000740579441 602960570 /nfs/dbraw/zinc/96/05/70/602960570.db2.gz WSFFDUGHNZRZAB-NEPJUHHUSA-N -1 0 352.391 -0.628 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000740579444 602960758 /nfs/dbraw/zinc/96/07/58/602960758.db2.gz WSFFDUGHNZRZAB-NWDGAFQWSA-N -1 0 352.391 -0.628 20 0 FBADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000740579446 602960655 /nfs/dbraw/zinc/96/06/55/602960655.db2.gz WSFFDUGHNZRZAB-RYUDHWBXSA-N -1 0 352.391 -0.628 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000740579449 602960768 /nfs/dbraw/zinc/96/07/68/602960768.db2.gz WSFFDUGHNZRZAB-VXGBXAGGSA-N -1 0 352.391 -0.628 20 0 FBADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000740579470 603015826 /nfs/dbraw/zinc/01/58/26/603015826.db2.gz WTWWKNWGHMYAOB-KBPBESRZSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000740579471 603016470 /nfs/dbraw/zinc/01/64/70/603016470.db2.gz WTWWKNWGHMYAOB-KGLIPLIRSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000740579472 603016411 /nfs/dbraw/zinc/01/64/11/603016411.db2.gz WTWWKNWGHMYAOB-UONOGXRCSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000740579474 603016383 /nfs/dbraw/zinc/01/63/83/603016383.db2.gz WTWWKNWGHMYAOB-ZIAGYGMSSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000740579552 602742150 /nfs/dbraw/zinc/74/21/50/602742150.db2.gz AZVWGUNEJKGFCO-NXEZZACHSA-N -1 0 372.403 -0.980 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000740579553 605066041 /nfs/dbraw/zinc/06/60/41/605066041.db2.gz AZVWGUNEJKGFCO-UWVGGRQHSA-N -1 0 372.403 -0.980 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000740579554 605065994 /nfs/dbraw/zinc/06/59/94/605065994.db2.gz AZVWGUNEJKGFCO-VHSXEESVSA-N -1 0 372.403 -0.980 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000740579555 602742180 /nfs/dbraw/zinc/74/21/80/602742180.db2.gz AZVWGUNEJKGFCO-ZJUUUORDSA-N -1 0 372.403 -0.980 20 0 FBADRM O=C([O-])NC1CCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)CC1 ZINC000740579566 603395602 /nfs/dbraw/zinc/39/56/02/603395602.db2.gz BIGNHNKBSIDQCF-UHFFFAOYSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)C1 ZINC000740582689 604567176 /nfs/dbraw/zinc/56/71/76/604567176.db2.gz RENOYKKICGETCB-LLVKDONJSA-N -1 0 363.374 -0.275 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)C1 ZINC000740582690 605115543 /nfs/dbraw/zinc/11/55/43/605115543.db2.gz RENOYKKICGETCB-NSHDSACASA-N -1 0 363.374 -0.275 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000740583921 602747427 /nfs/dbraw/zinc/74/74/27/602747427.db2.gz YUOXYTGYPUPIKH-CHWSQXEVSA-N -1 0 354.407 -0.964 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000740583922 605131406 /nfs/dbraw/zinc/13/14/06/605131406.db2.gz YUOXYTGYPUPIKH-OLZOCXBDSA-N -1 0 354.407 -0.964 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000740583923 602747512 /nfs/dbraw/zinc/74/75/12/602747512.db2.gz YUOXYTGYPUPIKH-QWHCGFSZSA-N -1 0 354.407 -0.964 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000740583924 605131588 /nfs/dbraw/zinc/13/15/88/605131588.db2.gz YUOXYTGYPUPIKH-STQMWFEESA-N -1 0 354.407 -0.964 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 ZINC000740586033 605950238 /nfs/dbraw/zinc/95/02/38/605950238.db2.gz KCODYKWIIWNNHX-JTQLQIEISA-N -1 0 373.387 -0.217 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 ZINC000740586036 604464131 /nfs/dbraw/zinc/46/41/31/604464131.db2.gz KCODYKWIIWNNHX-SNVBAGLBSA-N -1 0 373.387 -0.217 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000740586423 604593212 /nfs/dbraw/zinc/59/32/12/604593212.db2.gz FUKHMFXITHYGEW-LLVKDONJSA-N -1 0 352.395 -0.177 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000740586425 605095812 /nfs/dbraw/zinc/09/58/12/605095812.db2.gz FUKHMFXITHYGEW-NSHDSACASA-N -1 0 352.395 -0.177 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1 ZINC000740587967 605128059 /nfs/dbraw/zinc/12/80/59/605128059.db2.gz NZIOMZVIUMRSHQ-LURJTMIESA-N -1 0 361.152 -0.420 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1 ZINC000740587971 604474067 /nfs/dbraw/zinc/47/40/67/604474067.db2.gz NZIOMZVIUMRSHQ-ZCFIWIBFSA-N -1 0 361.152 -0.420 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)C1 ZINC000740588118 602751785 /nfs/dbraw/zinc/75/17/85/602751785.db2.gz UXWHLDMVWVXWIX-LLVKDONJSA-N -1 0 360.378 -0.396 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)C1 ZINC000740588122 605137614 /nfs/dbraw/zinc/13/76/14/605137614.db2.gz UXWHLDMVWVXWIX-NSHDSACASA-N -1 0 360.378 -0.396 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000740589034 605101749 /nfs/dbraw/zinc/10/17/49/605101749.db2.gz QBMRWDKCVVPGRI-JTQLQIEISA-N -1 0 366.465 -0.584 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000740589035 604601120 /nfs/dbraw/zinc/60/11/20/604601120.db2.gz QBMRWDKCVVPGRI-SNVBAGLBSA-N -1 0 366.465 -0.584 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000740589166 604550283 /nfs/dbraw/zinc/55/02/83/604550283.db2.gz LIEDXYGMCZJIIJ-LLVKDONJSA-N -1 0 366.378 -0.384 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000740589167 605087399 /nfs/dbraw/zinc/08/73/99/605087399.db2.gz LIEDXYGMCZJIIJ-NSHDSACASA-N -1 0 366.378 -0.384 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000740589239 605141866 /nfs/dbraw/zinc/14/18/66/605141866.db2.gz WZYWNXJWATXMQC-KBPBESRZSA-N -1 0 368.434 -0.432 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000740589241 604481741 /nfs/dbraw/zinc/48/17/41/604481741.db2.gz WZYWNXJWATXMQC-KGLIPLIRSA-N -1 0 368.434 -0.432 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000740589243 605141786 /nfs/dbraw/zinc/14/17/86/605141786.db2.gz WZYWNXJWATXMQC-UONOGXRCSA-N -1 0 368.434 -0.432 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000740589245 604481663 /nfs/dbraw/zinc/48/16/63/604481663.db2.gz WZYWNXJWATXMQC-ZIAGYGMSSA-N -1 0 368.434 -0.432 20 0 FBADRM O=C([O-])NC1CCN(C(=O)COCC(=O)NCc2cccnc2)CC1 ZINC000740589407 602162628 /nfs/dbraw/zinc/16/26/28/602162628.db2.gz RWVQOCMFYCEQIG-UHFFFAOYSA-N -1 0 350.375 -0.027 20 0 FBADRM O=C([O-])NC1CCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000740590011 602162953 /nfs/dbraw/zinc/16/29/53/602162953.db2.gz ZNPVDFQULIFEPO-GFCCVEGCSA-N -1 0 354.388 -0.025 20 0 FBADRM O=C([O-])NC1CCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000740590012 602162943 /nfs/dbraw/zinc/16/29/43/602162943.db2.gz ZNPVDFQULIFEPO-LBPRGKRZSA-N -1 0 354.388 -0.025 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1 ZINC000740590047 605955020 /nfs/dbraw/zinc/95/50/20/605955020.db2.gz SYLRXRNMHGQKJY-AWEZNQCLSA-N -1 0 372.381 -0.073 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1 ZINC000740590048 604479451 /nfs/dbraw/zinc/47/94/51/604479451.db2.gz SYLRXRNMHGQKJY-CQSZACIVSA-N -1 0 372.381 -0.073 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 ZINC000740590104 604470446 /nfs/dbraw/zinc/47/04/46/604470446.db2.gz VEXWUELTARLVKU-SECBINFHSA-N -1 0 353.356 -0.300 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 ZINC000740590105 605955035 /nfs/dbraw/zinc/95/50/35/605955035.db2.gz VEXWUELTARLVKU-VIFPVBQESA-N -1 0 353.356 -0.300 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000740590861 605103725 /nfs/dbraw/zinc/10/37/25/605103725.db2.gz ZZPGEZDXJGGIFQ-KBPBESRZSA-N -1 0 355.439 -0.556 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000740590862 605104202 /nfs/dbraw/zinc/10/42/02/605104202.db2.gz ZZPGEZDXJGGIFQ-KGLIPLIRSA-N -1 0 355.439 -0.556 20 0 FBADRM O=C([O-])N[C@@H]1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000740596610 604382291 /nfs/dbraw/zinc/38/22/91/604382291.db2.gz ZCMWHUZCVNQTGO-GFCCVEGCSA-N -1 0 350.375 -0.094 20 0 FBADRM O=C([O-])N[C@H]1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000740596611 605914817 /nfs/dbraw/zinc/91/48/17/605914817.db2.gz ZCMWHUZCVNQTGO-LBPRGKRZSA-N -1 0 350.375 -0.094 20 0 FBADRM O=C([O-])NC[C@@H](NC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1)C1CC1 ZINC000740599945 603140848 /nfs/dbraw/zinc/14/08/48/603140848.db2.gz ARNDNEMTUJKYNY-GFCCVEGCSA-N -1 0 359.346 -0.237 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1)C1CC1 ZINC000740599946 603141184 /nfs/dbraw/zinc/14/11/84/603141184.db2.gz ARNDNEMTUJKYNY-LBPRGKRZSA-N -1 0 359.346 -0.237 20 0 FBADRM O=C([O-])NC[C@@H](NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)C1CC1 ZINC000740599999 603056462 /nfs/dbraw/zinc/05/64/62/603056462.db2.gz BXIBWZHPQLLOKX-GFCCVEGCSA-N -1 0 374.405 -0.102 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)C1CC1 ZINC000740600000 603056304 /nfs/dbraw/zinc/05/63/04/603056304.db2.gz BXIBWZHPQLLOKX-LBPRGKRZSA-N -1 0 374.405 -0.102 20 0 FBADRM O=C([O-])N[C@@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000740600194 604337586 /nfs/dbraw/zinc/33/75/86/604337586.db2.gz ZJYKRRIMIKKCKK-SSDOTTSWSA-N -1 0 354.344 -0.753 20 0 FBADRM O=C([O-])N[C@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000740600195 605945301 /nfs/dbraw/zinc/94/53/01/605945301.db2.gz ZJYKRRIMIKKCKK-ZETCQYMHSA-N -1 0 354.344 -0.753 20 0 FBADRM O=C([O-])NC[C@@H](NC(=O)C(=O)Nc1cccnc1-n1cncn1)C1CC1 ZINC000740600781 603139470 /nfs/dbraw/zinc/13/94/70/603139470.db2.gz FQIOYNULBFOQCI-LLVKDONJSA-N -1 0 359.346 -0.237 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)C(=O)Nc1cccnc1-n1cncn1)C1CC1 ZINC000740600782 603139333 /nfs/dbraw/zinc/13/93/33/603139333.db2.gz FQIOYNULBFOQCI-NSHDSACASA-N -1 0 359.346 -0.237 20 0 FBADRM O=C([O-])NC[C@@H](NC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)C1CC1 ZINC000740601212 603141347 /nfs/dbraw/zinc/14/13/47/603141347.db2.gz GUWIHPZVRABSGU-GFCCVEGCSA-N -1 0 359.346 -0.237 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)C1CC1 ZINC000740601217 603141133 /nfs/dbraw/zinc/14/11/33/603141133.db2.gz GUWIHPZVRABSGU-LBPRGKRZSA-N -1 0 359.346 -0.237 20 0 FBADRM O=C([O-])NCC(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000740601487 602179910 /nfs/dbraw/zinc/17/99/10/602179910.db2.gz PZDHIOLPZZGRBI-UHFFFAOYSA-N -1 0 350.375 -0.045 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CC1 ZINC000740601730 603044357 /nfs/dbraw/zinc/04/43/57/603044357.db2.gz INZIGUPVJPMMNP-SRVKXCTJSA-N -1 0 373.431 -0.816 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CC1 ZINC000740601732 603043960 /nfs/dbraw/zinc/04/39/60/603043960.db2.gz INZIGUPVJPMMNP-TUAOUCFPSA-N -1 0 373.431 -0.816 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CC1 ZINC000740601734 603043930 /nfs/dbraw/zinc/04/39/30/603043930.db2.gz INZIGUPVJPMMNP-UTUOFQBUSA-N -1 0 373.431 -0.816 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CC1 ZINC000740601736 603044150 /nfs/dbraw/zinc/04/41/50/603044150.db2.gz INZIGUPVJPMMNP-WOPDTQHZSA-N -1 0 373.431 -0.816 20 0 FBADRM O=C([O-])NC[C@@H](NC(=O)C(=O)Nc1ccc(-n2nccn2)nc1)C1CC1 ZINC000740602291 603142428 /nfs/dbraw/zinc/14/24/28/603142428.db2.gz LBTVZGJJDVEFEE-LLVKDONJSA-N -1 0 359.346 -0.237 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)C(=O)Nc1ccc(-n2nccn2)nc1)C1CC1 ZINC000740602293 603142476 /nfs/dbraw/zinc/14/24/76/603142476.db2.gz LBTVZGJJDVEFEE-NSHDSACASA-N -1 0 359.346 -0.237 20 0 FBADRM O=C([O-])NC[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C1CC1 ZINC000740602531 603056923 /nfs/dbraw/zinc/05/69/23/603056923.db2.gz QEFLJSCVJVSHGV-LLVKDONJSA-N -1 0 367.383 -0.007 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C1CC1 ZINC000740602533 603057131 /nfs/dbraw/zinc/05/71/31/603057131.db2.gz QEFLJSCVJVSHGV-NSHDSACASA-N -1 0 367.383 -0.007 20 0 FBADRM O=C([O-])NC[C@@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C1CC1 ZINC000740602976 603054706 /nfs/dbraw/zinc/05/47/06/603054706.db2.gz NMDUTPJLAMXSJB-LLVKDONJSA-N -1 0 354.388 -0.354 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C1CC1 ZINC000740602978 603054699 /nfs/dbraw/zinc/05/46/99/603054699.db2.gz NMDUTPJLAMXSJB-NSHDSACASA-N -1 0 354.388 -0.354 20 0 FBADRM O=C([O-])NC[C@@H](NC(=O)CCNS(=O)(=O)c1cccnc1)C1CC1 ZINC000740603103 603057222 /nfs/dbraw/zinc/05/72/22/603057222.db2.gz SRLGVWTXBODKLN-GFCCVEGCSA-N -1 0 356.404 -0.088 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)CCNS(=O)(=O)c1cccnc1)C1CC1 ZINC000740603113 603056918 /nfs/dbraw/zinc/05/69/18/603056918.db2.gz SRLGVWTXBODKLN-LBPRGKRZSA-N -1 0 356.404 -0.088 20 0 FBADRM O=C([O-])NC[C@@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1CC1 ZINC000740604268 603041393 /nfs/dbraw/zinc/04/13/93/603041393.db2.gz RDDGLKKHEBMFHK-LLVKDONJSA-N -1 0 354.388 -0.354 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1CC1 ZINC000740604271 603041575 /nfs/dbraw/zinc/04/15/75/603041575.db2.gz RDDGLKKHEBMFHK-NSHDSACASA-N -1 0 354.388 -0.354 20 0 FBADRM O=C([O-])NC[C@@H](NC(=O)C(=O)Nc1ccc(-n2cncn2)nc1)C1CC1 ZINC000740604713 603144373 /nfs/dbraw/zinc/14/43/73/603144373.db2.gz RNUHIGLIZFETKE-LLVKDONJSA-N -1 0 359.346 -0.237 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)C(=O)Nc1ccc(-n2cncn2)nc1)C1CC1 ZINC000740604715 603144381 /nfs/dbraw/zinc/14/43/81/603144381.db2.gz RNUHIGLIZFETKE-NSHDSACASA-N -1 0 359.346 -0.237 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1 ZINC000740605796 603059473 /nfs/dbraw/zinc/05/94/73/603059473.db2.gz WQJBNCYKUJXPOL-KBPBESRZSA-N -1 0 368.434 -0.671 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1 ZINC000740605797 603059444 /nfs/dbraw/zinc/05/94/44/603059444.db2.gz WQJBNCYKUJXPOL-KGLIPLIRSA-N -1 0 368.434 -0.671 20 0 FBADRM O=C([O-])NC[C@@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1 ZINC000740605798 603059555 /nfs/dbraw/zinc/05/95/55/603059555.db2.gz WQJBNCYKUJXPOL-UONOGXRCSA-N -1 0 368.434 -0.671 20 0 FBADRM O=C([O-])NC[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1 ZINC000740605799 603059802 /nfs/dbraw/zinc/05/98/02/603059802.db2.gz WQJBNCYKUJXPOL-ZIAGYGMSSA-N -1 0 368.434 -0.671 20 0 FBADRM O=C([O-])NC[C@@H](NC(=O)N1CCN(CC(=O)NC2CC2)CC1)C1CC1 ZINC000740606908 603138227 /nfs/dbraw/zinc/13/82/27/603138227.db2.gz ADZWEXUGYASLQU-CYBMUJFWSA-N -1 0 353.423 -0.362 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)N1CCN(CC(=O)NC2CC2)CC1)C1CC1 ZINC000740606912 603138032 /nfs/dbraw/zinc/13/80/32/603138032.db2.gz ADZWEXUGYASLQU-ZDUSSCGKSA-N -1 0 353.423 -0.362 20 0 FBADRM O=C([O-])NC[C@@H](NC(=O)N1CCC(C(=O)NCCCO)CC1)C1CC1 ZINC000740607318 603131172 /nfs/dbraw/zinc/13/11/72/603131172.db2.gz ZSFPKCUPFZWWFW-CYBMUJFWSA-N -1 0 356.423 -0.047 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)N1CCC(C(=O)NCCCO)CC1)C1CC1 ZINC000740607338 603131460 /nfs/dbraw/zinc/13/14/60/603131460.db2.gz ZSFPKCUPFZWWFW-ZDUSSCGKSA-N -1 0 356.423 -0.047 20 0 FBADRM O=C([O-])NC[C@@H](NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C1CC1 ZINC000740607533 603094571 /nfs/dbraw/zinc/09/45/71/603094571.db2.gz DEDVNMXJNRYNNZ-GFCCVEGCSA-N -1 0 367.406 -0.835 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C1CC1 ZINC000740607534 603094496 /nfs/dbraw/zinc/09/44/96/603094496.db2.gz DEDVNMXJNRYNNZ-LBPRGKRZSA-N -1 0 367.406 -0.835 20 0 FBADRM O=C([O-])NC[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CC1 ZINC000740610720 603069560 /nfs/dbraw/zinc/06/95/60/603069560.db2.gz BBVSXADQLDBPFX-LLVKDONJSA-N -1 0 368.371 -0.459 20 0 FBADRM O=C([O-])NC[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CC1 ZINC000740610721 603069434 /nfs/dbraw/zinc/06/94/34/603069434.db2.gz BBVSXADQLDBPFX-NSHDSACASA-N -1 0 368.371 -0.459 20 0 FBADRM O=C([O-])NC[C@@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C1CC1 ZINC000740612530 603068543 /nfs/dbraw/zinc/06/85/43/603068543.db2.gz KLJKHUCBVCYQGD-GFCCVEGCSA-N -1 0 352.376 -0.013 20 0 FBADRM O=C([O-])NC[C@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C1CC1 ZINC000740612532 603068330 /nfs/dbraw/zinc/06/83/30/603068330.db2.gz KLJKHUCBVCYQGD-LBPRGKRZSA-N -1 0 352.376 -0.013 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)N1CCN(CC(=O)N2CCCC2)CC1)C1CC1 ZINC000740613750 603097796 /nfs/dbraw/zinc/09/77/96/603097796.db2.gz QHAVYQFCROYHHP-AWEZNQCLSA-N -1 0 367.450 -0.018 20 0 FBADRM O=C([O-])NC[C@@H](NC(=O)N1CCN(CC(=O)N2CCCC2)CC1)C1CC1 ZINC000740613753 603097976 /nfs/dbraw/zinc/09/79/76/603097976.db2.gz QHAVYQFCROYHHP-CQSZACIVSA-N -1 0 367.450 -0.018 20 0 FBADRM O=C([O-])NC[C@@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C1CC1 ZINC000740615259 603069171 /nfs/dbraw/zinc/06/91/71/603069171.db2.gz WUYYLIBQQGZUIV-GFCCVEGCSA-N -1 0 352.376 -0.013 20 0 FBADRM O=C([O-])NC[C@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C1CC1 ZINC000740615260 603069100 /nfs/dbraw/zinc/06/91/00/603069100.db2.gz WUYYLIBQQGZUIV-LBPRGKRZSA-N -1 0 352.376 -0.013 20 0 FBADRM O=C([O-])NC[C@@H]1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 ZINC000740627151 601881158 /nfs/dbraw/zinc/88/11/58/601881158.db2.gz AXBGOIDKFMFQTE-JTQLQIEISA-N -1 0 354.388 -0.400 20 0 FBADRM O=C([O-])NC[C@H]1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 ZINC000740627155 601881408 /nfs/dbraw/zinc/88/14/08/601881408.db2.gz AXBGOIDKFMFQTE-SNVBAGLBSA-N -1 0 354.388 -0.400 20 0 FBADRM O=C([O-])NC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)C1 ZINC000740627844 602204366 /nfs/dbraw/zinc/20/43/66/602204366.db2.gz CEJZULWCCAJUHY-JTQLQIEISA-N -1 0 359.346 -0.283 20 0 FBADRM O=C([O-])NC[C@H]1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)C1 ZINC000740627849 602204629 /nfs/dbraw/zinc/20/46/29/602204629.db2.gz CEJZULWCCAJUHY-SNVBAGLBSA-N -1 0 359.346 -0.283 20 0 FBADRM O=C([O-])NC[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000740628813 602034538 /nfs/dbraw/zinc/03/45/38/602034538.db2.gz FYOLHBGKLUPYQO-KBPBESRZSA-N -1 0 368.434 -0.717 20 0 FBADRM O=C([O-])NC[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000740628814 602034936 /nfs/dbraw/zinc/03/49/36/602034936.db2.gz FYOLHBGKLUPYQO-KGLIPLIRSA-N -1 0 368.434 -0.717 20 0 FBADRM O=C([O-])NC[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000740628816 602034974 /nfs/dbraw/zinc/03/49/74/602034974.db2.gz FYOLHBGKLUPYQO-UONOGXRCSA-N -1 0 368.434 -0.717 20 0 FBADRM O=C([O-])NC[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000740628820 602034670 /nfs/dbraw/zinc/03/46/70/602034670.db2.gz FYOLHBGKLUPYQO-ZIAGYGMSSA-N -1 0 368.434 -0.717 20 0 FBADRM O=C([O-])NC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)C1 ZINC000740628847 602204946 /nfs/dbraw/zinc/20/49/46/602204946.db2.gz DVQCPLNFORFIMY-JTQLQIEISA-N -1 0 359.346 -0.283 20 0 FBADRM O=C([O-])NC[C@H]1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)C1 ZINC000740628848 602205032 /nfs/dbraw/zinc/20/50/32/602205032.db2.gz DVQCPLNFORFIMY-SNVBAGLBSA-N -1 0 359.346 -0.283 20 0 FBADRM O=C([O-])NC[C@@H]1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 ZINC000740629674 601879269 /nfs/dbraw/zinc/87/92/69/601879269.db2.gz HAPQFOBTJURZAM-JTQLQIEISA-N -1 0 367.383 -0.053 20 0 FBADRM O=C([O-])NC[C@H]1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 ZINC000740629677 601879234 /nfs/dbraw/zinc/87/92/34/601879234.db2.gz HAPQFOBTJURZAM-SNVBAGLBSA-N -1 0 367.383 -0.053 20 0 FBADRM O=C([O-])NC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C1 ZINC000740631165 602205022 /nfs/dbraw/zinc/20/50/22/602205022.db2.gz IIYZHCSABAYPOB-JTQLQIEISA-N -1 0 359.346 -0.283 20 0 FBADRM O=C([O-])NC[C@H]1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C1 ZINC000740631169 602204934 /nfs/dbraw/zinc/20/49/34/602204934.db2.gz IIYZHCSABAYPOB-SNVBAGLBSA-N -1 0 359.346 -0.283 20 0 FBADRM O=C([O-])NC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)C1 ZINC000740632219 602204962 /nfs/dbraw/zinc/20/49/62/602204962.db2.gz LLMNZUOODKQWIB-JTQLQIEISA-N -1 0 359.346 -0.283 20 0 FBADRM O=C([O-])NC[C@H]1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)C1 ZINC000740632222 602204958 /nfs/dbraw/zinc/20/49/58/602204958.db2.gz LLMNZUOODKQWIB-SNVBAGLBSA-N -1 0 359.346 -0.283 20 0 FBADRM O=C([O-])NC[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)C1 ZINC000740633542 603408403 /nfs/dbraw/zinc/40/84/03/603408403.db2.gz PKPOEYJXZKXZRB-JTQLQIEISA-N -1 0 359.346 -0.283 20 0 FBADRM O=C([O-])NC[C@H]1CCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)C1 ZINC000740633543 603408454 /nfs/dbraw/zinc/40/84/54/603408454.db2.gz PKPOEYJXZKXZRB-SNVBAGLBSA-N -1 0 359.346 -0.283 20 0 FBADRM O=C([O-])NC[C@@H]1CCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1 ZINC000740634185 601985046 /nfs/dbraw/zinc/98/50/46/601985046.db2.gz RGCULCHKXAFAKJ-JTQLQIEISA-N -1 0 354.450 -0.127 20 0 FBADRM O=C([O-])NC[C@H]1CCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1 ZINC000740634188 601984925 /nfs/dbraw/zinc/98/49/25/601984925.db2.gz RGCULCHKXAFAKJ-SNVBAGLBSA-N -1 0 354.450 -0.127 20 0 FBADRM O=C([O-])NC[C@@H]1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC000740635877 601881876 /nfs/dbraw/zinc/88/18/76/601881876.db2.gz XYTXVWAQSIEINY-JTQLQIEISA-N -1 0 354.388 -0.400 20 0 FBADRM O=C([O-])NC[C@H]1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC000740635880 601881996 /nfs/dbraw/zinc/88/19/96/601881996.db2.gz XYTXVWAQSIEINY-SNVBAGLBSA-N -1 0 354.388 -0.400 20 0 FBADRM O=C([O-])NC[C@H]1CCN(C(=O)COCC(=O)NCc2cccnc2)C1 ZINC000740639289 602675222 /nfs/dbraw/zinc/67/52/22/602675222.db2.gz AMRWIXMEJFFHKF-CYBMUJFWSA-N -1 0 350.375 -0.170 20 0 FBADRM O=C([O-])NC[C@@H]1CCN(C(=O)COCC(=O)NCc2cccnc2)C1 ZINC000740639290 602675133 /nfs/dbraw/zinc/67/51/33/602675133.db2.gz AMRWIXMEJFFHKF-ZDUSSCGKSA-N -1 0 350.375 -0.170 20 0 FBADRM O=C([O-])NCCC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000740641671 603192583 /nfs/dbraw/zinc/19/25/83/603192583.db2.gz HIAUXPOWYRCBAH-UHFFFAOYSA-N -1 0 363.436 -0.267 20 0 FBADRM O=C([O-])NCCC(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 ZINC000740644771 603056689 /nfs/dbraw/zinc/05/66/89/603056689.db2.gz CNTHPUIKPZPXPP-UHFFFAOYSA-N -1 0 370.450 -0.279 20 0 FBADRM O=C([O-])NC[C@@H]1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000740646327 601997045 /nfs/dbraw/zinc/99/70/45/601997045.db2.gz LOYHFXPGFVPHSE-JTQLQIEISA-N -1 0 352.376 -0.060 20 0 FBADRM O=C([O-])NC[C@H]1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000740646328 601996927 /nfs/dbraw/zinc/99/69/27/601996927.db2.gz LOYHFXPGFVPHSE-SNVBAGLBSA-N -1 0 352.376 -0.060 20 0 FBADRM O=C([O-])NCC1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1 ZINC000740646370 601985158 /nfs/dbraw/zinc/98/51/58/601985158.db2.gz MLERSYIJHWQMCQ-UHFFFAOYSA-N -1 0 354.450 -0.127 20 0 FBADRM O=C([O-])NC[C@@H]1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000740646387 601994846 /nfs/dbraw/zinc/99/48/46/601994846.db2.gz WTEBHXHNRQFKTQ-JTQLQIEISA-N -1 0 352.376 -0.060 20 0 FBADRM O=C([O-])NC[C@H]1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000740646388 601994838 /nfs/dbraw/zinc/99/48/38/601994838.db2.gz WTEBHXHNRQFKTQ-SNVBAGLBSA-N -1 0 352.376 -0.060 20 0 FBADRM O=C([O-])NC[C@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000740647229 601996563 /nfs/dbraw/zinc/99/65/63/601996563.db2.gz ZEYYNFPEQUQJAZ-MRVPVSSYSA-N -1 0 368.371 -0.505 20 0 FBADRM O=C([O-])NC[C@@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000740647230 601996404 /nfs/dbraw/zinc/99/64/04/601996404.db2.gz ZEYYNFPEQUQJAZ-QMMMGPOBSA-N -1 0 368.371 -0.505 20 0 FBADRM O=C([O-])NCCCNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000740647843 603412415 /nfs/dbraw/zinc/41/24/15/603412415.db2.gz AVENAAUDCHSFIH-UHFFFAOYSA-N -1 0 351.298 -0.486 20 0 FBADRM O=C([O-])NCCCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000740648766 602427073 /nfs/dbraw/zinc/42/70/73/602427073.db2.gz YRJIORKSCAVJLM-UHFFFAOYSA-N -1 0 363.374 -0.665 20 0 FBADRM O=C([O-])NCCCNC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000740649720 602423058 /nfs/dbraw/zinc/42/30/58/602423058.db2.gz MCORMZGOIUMMLZ-UHFFFAOYSA-N -1 0 355.439 -0.016 20 0 FBADRM O=C([O-])NCCCNC(=O)C(=O)Nc1cccnc1N1CCOCC1 ZINC000740649894 602426555 /nfs/dbraw/zinc/42/65/55/602426555.db2.gz GPDXHVVKXXVTBX-UHFFFAOYSA-N -1 0 351.363 -0.369 20 0 FBADRM O=C([O-])NCCCNC(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC000740650134 603094596 /nfs/dbraw/zinc/09/45/96/603094596.db2.gz JSHPOAKIMCPPKM-LLVKDONJSA-N -1 0 351.363 -0.049 20 0 FBADRM O=C([O-])NCCCNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC000740650135 603094425 /nfs/dbraw/zinc/09/44/25/603094425.db2.gz JSHPOAKIMCPPKM-NSHDSACASA-N -1 0 351.363 -0.049 20 0 FBADRM O=C([O-])NCCCNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000740650295 661792140 /nfs/dbraw/zinc/79/21/40/661792140.db2.gz UBLKVRKKZKLWRD-UHFFFAOYSA-N -1 0 355.395 -0.880 20 0 FBADRM O=C([O-])NCCCNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000740650726 602545004 /nfs/dbraw/zinc/54/50/04/602545004.db2.gz BMSHWNORFWJCAJ-UHFFFAOYSA-N -1 0 354.454 -0.678 20 0 FBADRM O=C([O-])NCCCNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000740651176 602497845 /nfs/dbraw/zinc/49/78/45/602497845.db2.gz PUVVHBDJIZZSQW-CYBMUJFWSA-N -1 0 356.423 -0.526 20 0 FBADRM O=C([O-])NCCCNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000740651179 602497943 /nfs/dbraw/zinc/49/79/43/602497943.db2.gz PUVVHBDJIZZSQW-ZDUSSCGKSA-N -1 0 356.423 -0.526 20 0 FBADRM O=C([O-])NCCCNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000740652219 602349709 /nfs/dbraw/zinc/34/97/09/602349709.db2.gz JKITVLICJCHSFC-UHFFFAOYSA-N -1 0 360.370 -0.168 20 0 FBADRM O=C([O-])NCCCNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000740653823 603348954 /nfs/dbraw/zinc/34/89/54/603348954.db2.gz NAWIIRNZPYGTKI-UHFFFAOYSA-N -1 0 354.367 -0.479 20 0 FBADRM O=C([O-])NCCCOC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000740654655 602226531 /nfs/dbraw/zinc/22/65/31/602226531.db2.gz NFSHQSHKUNENRZ-SECBINFHSA-N -1 0 361.376 -0.647 20 0 FBADRM O=C([O-])NCCCOC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000740654656 602226333 /nfs/dbraw/zinc/22/63/33/602226333.db2.gz NFSHQSHKUNENRZ-VIFPVBQESA-N -1 0 361.376 -0.647 20 0 FBADRM O=C([O-])NCCCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000740654798 602420359 /nfs/dbraw/zinc/42/03/59/602420359.db2.gz HITDNUHZXVUJNL-UHFFFAOYSA-N -1 0 366.359 -0.515 20 0 FBADRM O=C([O-])NCCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000740656279 602347020 /nfs/dbraw/zinc/34/70/20/602347020.db2.gz ZHUYHYUIGKQZRT-UHFFFAOYSA-N -1 0 361.376 -0.312 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)CNCC(F)(F)F)C1 ZINC000740657441 602781204 /nfs/dbraw/zinc/78/12/04/602781204.db2.gz BSNQJQHHNLNLOK-SECBINFHSA-N -1 0 354.329 -0.239 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)CNCC(F)(F)F)C1 ZINC000740657442 602781349 /nfs/dbraw/zinc/78/13/49/602781349.db2.gz BSNQJQHHNLNLOK-VIFPVBQESA-N -1 0 354.329 -0.239 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)COC2CCOCC2)C1 ZINC000740657455 602982435 /nfs/dbraw/zinc/98/24/35/602982435.db2.gz CEJHVTWBNJFYAZ-GFCCVEGCSA-N -1 0 357.407 -0.196 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)COC2CCOCC2)C1 ZINC000740657456 602982414 /nfs/dbraw/zinc/98/24/14/602982414.db2.gz CEJHVTWBNJFYAZ-LBPRGKRZSA-N -1 0 357.407 -0.196 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)NCCn2cccn2)C1 ZINC000740658544 603365952 /nfs/dbraw/zinc/36/59/52/603365952.db2.gz MDKNHCXVAHNWKC-GFCCVEGCSA-N -1 0 352.395 -0.312 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)NCCn2cccn2)C1 ZINC000740658547 603366068 /nfs/dbraw/zinc/36/60/68/603366068.db2.gz MDKNHCXVAHNWKC-LBPRGKRZSA-N -1 0 352.395 -0.312 20 0 FBADRM O=C([O-])NCCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000740658726 602696096 /nfs/dbraw/zinc/69/60/96/602696096.db2.gz KTZACBLLSSQPLW-UHFFFAOYSA-N -1 0 352.332 -0.905 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)CCN2CCCC2=O)C1 ZINC000740659018 602144285 /nfs/dbraw/zinc/14/42/85/602144285.db2.gz PWJXYQPBCYRJPJ-GFCCVEGCSA-N -1 0 354.407 -0.379 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)CCN2CCCC2=O)C1 ZINC000740659021 602144033 /nfs/dbraw/zinc/14/40/33/602144033.db2.gz PWJXYQPBCYRJPJ-LBPRGKRZSA-N -1 0 354.407 -0.379 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000740659294 602742304 /nfs/dbraw/zinc/74/23/04/602742304.db2.gz JOAXDYONVLFNFX-NEPJUHHUSA-N -1 0 363.436 -0.552 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)C[C@H]2CCOC2)C1 ZINC000740659295 602742263 /nfs/dbraw/zinc/74/22/63/602742263.db2.gz JOAXDYONVLFNFX-NWDGAFQWSA-N -1 0 363.436 -0.552 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(S(=O)(=O)C[C@H]2CCOC2)C1 ZINC000740659297 602742266 /nfs/dbraw/zinc/74/22/66/602742266.db2.gz JOAXDYONVLFNFX-RYUDHWBXSA-N -1 0 363.436 -0.552 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000740659299 602742292 /nfs/dbraw/zinc/74/22/92/602742292.db2.gz JOAXDYONVLFNFX-VXGBXAGGSA-N -1 0 363.436 -0.552 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)NCCn2cncn2)C1 ZINC000740659486 602283775 /nfs/dbraw/zinc/28/37/75/602283775.db2.gz UURPPIAUMYPRQG-LLVKDONJSA-N -1 0 353.383 -0.917 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)NCCn2cncn2)C1 ZINC000740659487 602283724 /nfs/dbraw/zinc/28/37/24/602283724.db2.gz UURPPIAUMYPRQG-NSHDSACASA-N -1 0 353.383 -0.917 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)[C@H](O)c2cccnc2)C1 ZINC000740659879 602589652 /nfs/dbraw/zinc/58/96/52/602589652.db2.gz XFOJSLFKNDZXHF-CHWSQXEVSA-N -1 0 350.375 -0.263 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H](O)c2cccnc2)C1 ZINC000740659880 602589637 /nfs/dbraw/zinc/58/96/37/602589637.db2.gz XFOJSLFKNDZXHF-OLZOCXBDSA-N -1 0 350.375 -0.263 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)[C@H](O)c2cccnc2)C1 ZINC000740659881 602589578 /nfs/dbraw/zinc/58/95/78/602589578.db2.gz XFOJSLFKNDZXHF-QWHCGFSZSA-N -1 0 350.375 -0.263 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)[C@@H](O)c2cccnc2)C1 ZINC000740659882 602589586 /nfs/dbraw/zinc/58/95/86/602589586.db2.gz XFOJSLFKNDZXHF-STQMWFEESA-N -1 0 350.375 -0.263 20 0 FBADRM O=C([O-])NCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000740659965 602261580 /nfs/dbraw/zinc/26/15/80/602261580.db2.gz XTZDDFKHSZFNFT-UHFFFAOYSA-N -1 0 354.338 -0.015 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)c2nccn3ccnc23)C1 ZINC000740660239 602977162 /nfs/dbraw/zinc/97/71/62/602977162.db2.gz OYASMDGYWLTEND-LLVKDONJSA-N -1 0 360.374 -0.035 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)c2nccn3ccnc23)C1 ZINC000740660242 602977307 /nfs/dbraw/zinc/97/73/07/602977307.db2.gz OYASMDGYWLTEND-NSHDSACASA-N -1 0 360.374 -0.035 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000740661760 601985085 /nfs/dbraw/zinc/98/50/85/601985085.db2.gz ZYIHTSXTBWCIAT-NEPJUHHUSA-N -1 0 363.436 -0.409 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(S(=O)(=O)C[C@H]2CCCO2)C1 ZINC000740661761 601985081 /nfs/dbraw/zinc/98/50/81/601985081.db2.gz ZYIHTSXTBWCIAT-NWDGAFQWSA-N -1 0 363.436 -0.409 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000740661762 601984993 /nfs/dbraw/zinc/98/49/93/601984993.db2.gz ZYIHTSXTBWCIAT-RYUDHWBXSA-N -1 0 363.436 -0.409 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)C[C@H]2CCCO2)C1 ZINC000740661763 601985107 /nfs/dbraw/zinc/98/51/07/601985107.db2.gz ZYIHTSXTBWCIAT-VXGBXAGGSA-N -1 0 363.436 -0.409 20 0 FBADRM O=C([O-])NCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NC2CC2)c1 ZINC000740662079 603428023 /nfs/dbraw/zinc/42/80/23/603428023.db2.gz BKLUARCKXJKPBD-UHFFFAOYSA-N -1 0 370.387 -0.550 20 0 FBADRM O=C([O-])NCCNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000740662124 602293918 /nfs/dbraw/zinc/29/39/18/602293918.db2.gz HVVPRVCFSBOXNI-UHFFFAOYSA-N -1 0 363.417 -0.228 20 0 FBADRM O=C([O-])NCCNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000740662140 601984820 /nfs/dbraw/zinc/98/48/20/601984820.db2.gz KVXMODZMVXFHDS-UHFFFAOYSA-N -1 0 363.417 -0.327 20 0 FBADRM O=C([O-])NCCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCC(=O)N2)c1 ZINC000740662312 602666081 /nfs/dbraw/zinc/66/60/81/602666081.db2.gz YMRNSZCITHLVNP-LLVKDONJSA-N -1 0 370.387 -0.550 20 0 FBADRM O=C([O-])NCCNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000740663084 602574760 /nfs/dbraw/zinc/57/47/60/602574760.db2.gz MOMQSQKBCYVGSI-JTQLQIEISA-N -1 0 352.413 -0.958 20 0 FBADRM O=C([O-])NCCNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000740663087 602574634 /nfs/dbraw/zinc/57/46/34/602574634.db2.gz MOMQSQKBCYVGSI-SNVBAGLBSA-N -1 0 352.413 -0.958 20 0 FBADRM O=C([O-])NCCNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000740663774 602322134 /nfs/dbraw/zinc/32/21/34/602322134.db2.gz VKNRQUQXFMCZCB-UHFFFAOYSA-N -1 0 365.394 -0.918 20 0 FBADRM O=C([O-])NCCOCC(=O)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000740663805 603231359 /nfs/dbraw/zinc/23/13/59/603231359.db2.gz MMTAKPNXRKXZRY-CYBMUJFWSA-N -1 0 371.415 -0.119 20 0 FBADRM O=C([O-])NCCOCC(=O)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000740663806 603231057 /nfs/dbraw/zinc/23/10/57/603231057.db2.gz MMTAKPNXRKXZRY-ZDUSSCGKSA-N -1 0 371.415 -0.119 20 0 FBADRM O=C([O-])NCCOCC(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000740663839 602673974 /nfs/dbraw/zinc/67/39/74/602673974.db2.gz OOEBICHOAWDNSI-UHFFFAOYSA-N -1 0 356.423 -0.573 20 0 FBADRM O=C([O-])NCCOCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000740663841 602662934 /nfs/dbraw/zinc/66/29/34/602662934.db2.gz OPYQFKXKXYQBHA-NEPJUHHUSA-N -1 0 364.420 -0.535 20 0 FBADRM O=C([O-])NCCOCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000740663842 602662888 /nfs/dbraw/zinc/66/28/88/602662888.db2.gz OPYQFKXKXYQBHA-NWDGAFQWSA-N -1 0 364.420 -0.535 20 0 FBADRM O=C([O-])NCCOCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000740663843 602662873 /nfs/dbraw/zinc/66/28/73/602662873.db2.gz OPYQFKXKXYQBHA-RYUDHWBXSA-N -1 0 364.420 -0.535 20 0 FBADRM O=C([O-])NCCOCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000740663844 602662943 /nfs/dbraw/zinc/66/29/43/602662943.db2.gz OPYQFKXKXYQBHA-VXGBXAGGSA-N -1 0 364.420 -0.535 20 0 FBADRM O=C([O-])NCCOCC(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000740663861 602661789 /nfs/dbraw/zinc/66/17/89/602661789.db2.gz PPTAMEGZTBXIMP-UHFFFAOYSA-N -1 0 357.392 -0.001 20 0 FBADRM O=C([O-])NCCNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000740664002 602738412 /nfs/dbraw/zinc/73/84/12/602738412.db2.gz ZRXLMOSOEIPWEB-UHFFFAOYSA-N -1 0 358.367 -0.182 20 0 FBADRM O=C([O-])NCCOc1cccc(NC(=O)C(=O)N2CCn3cnnc3C2)c1 ZINC000740664918 602651900 /nfs/dbraw/zinc/65/19/00/602651900.db2.gz BCZXDOHPWXGDDE-UHFFFAOYSA-N -1 0 374.357 -0.095 20 0 FBADRM O=C([O-])NCCOCC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000740665041 602736430 /nfs/dbraw/zinc/73/64/30/602736430.db2.gz QPYGLSYNHLDJGU-UHFFFAOYSA-N -1 0 373.378 -0.349 20 0 FBADRM O=C([O-])NCCOCC(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000740665357 602665673 /nfs/dbraw/zinc/66/56/73/602665673.db2.gz GBECZONULQUGDS-UHFFFAOYSA-N -1 0 368.394 -0.097 20 0 FBADRM O=C([O-])NCCOc1cccc(NC(=O)C(=O)N2CCCNC(=O)C2)c1 ZINC000740665791 602292019 /nfs/dbraw/zinc/29/20/19/602292019.db2.gz LVQHPXFMYRHMEE-UHFFFAOYSA-N -1 0 364.358 -0.380 20 0 FBADRM O=C([O-])NCCOCC(=O)OCC(=O)N1CC(=O)Nc2ccccc21 ZINC000740665816 602933418 /nfs/dbraw/zinc/93/34/18/602933418.db2.gz MWKFLNJHLKKSJU-UHFFFAOYSA-N -1 0 351.315 -0.201 20 0 FBADRM O=C([O-])NCCOc1cccc(NC(=O)C(=O)NC[C@@H]2COCCO2)c1 ZINC000740666063 602290735 /nfs/dbraw/zinc/29/07/35/602290735.db2.gz PYDXHCRWQVZZSG-CYBMUJFWSA-N -1 0 367.358 -0.197 20 0 FBADRM O=C([O-])NCCOc1cccc(NC(=O)C(=O)NC[C@H]2COCCO2)c1 ZINC000740666064 602290875 /nfs/dbraw/zinc/29/08/75/602290875.db2.gz PYDXHCRWQVZZSG-ZDUSSCGKSA-N -1 0 367.358 -0.197 20 0 FBADRM O=C([O-])NCCOCC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000740666127 602658992 /nfs/dbraw/zinc/65/89/92/602658992.db2.gz AXTLUKPCLRFLCG-UHFFFAOYSA-N -1 0 356.423 -0.573 20 0 FBADRM O=C([O-])NCCOCC(=O)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000740666140 602674096 /nfs/dbraw/zinc/67/40/96/602674096.db2.gz BBVLKUOMXZQPSC-UHFFFAOYSA-N -1 0 351.359 -0.039 20 0 FBADRM O=C([O-])NCCOCC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000740666189 602663900 /nfs/dbraw/zinc/66/39/00/602663900.db2.gz CGAGHHYMOABMIG-UHFFFAOYSA-N -1 0 364.402 -0.264 20 0 FBADRM O=C([O-])NCCOCC(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000740666404 602660091 /nfs/dbraw/zinc/66/00/91/602660091.db2.gz DAXHZWFRCXMBCC-UHFFFAOYSA-N -1 0 351.319 -0.393 20 0 FBADRM O=C([O-])NCCOc1cccc(NC(=O)C(=O)N2CCNC(=O)C2)c1 ZINC000740666749 602290768 /nfs/dbraw/zinc/29/07/68/602290768.db2.gz YDBRSGJHXRYCCP-UHFFFAOYSA-N -1 0 350.331 -0.770 20 0 FBADRM O=C([O-])NCCOCC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000740666920 602674828 /nfs/dbraw/zinc/67/48/28/602674828.db2.gz IGHKRBQPPQYFOO-UHFFFAOYSA-N -1 0 351.359 -0.039 20 0 FBADRM O=C([O-])NCCOCC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000740667060 602660599 /nfs/dbraw/zinc/66/05/99/602660599.db2.gz DVMQACVEQHWYGS-UHFFFAOYSA-N -1 0 350.331 -0.039 20 0 FBADRM COC(=O)C[C@@H]1CSCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000740667259 660559275 /nfs/dbraw/zinc/55/92/75/660559275.db2.gz WUFYNRLHTNBGHT-SECBINFHSA-N -1 0 351.388 -0.422 20 0 FBADRM COC(=O)C[C@H]1CSCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000740667261 660559277 /nfs/dbraw/zinc/55/92/77/660559277.db2.gz WUFYNRLHTNBGHT-VIFPVBQESA-N -1 0 351.388 -0.422 20 0 FBADRM O=C([O-])NCCOCC(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000740667350 602665666 /nfs/dbraw/zinc/66/56/66/602665666.db2.gz LTOWELLXAKZMMW-UHFFFAOYSA-N -1 0 352.347 -0.644 20 0 FBADRM O=C([O-])NCCOCC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000740667899 602674153 /nfs/dbraw/zinc/67/41/53/602674153.db2.gz PBOAKMRASIHFLY-UHFFFAOYSA-N -1 0 351.359 -0.039 20 0 FBADRM O=C([O-])NCCOCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000740668597 602658524 /nfs/dbraw/zinc/65/85/24/602658524.db2.gz VJZFZMLGIPFWCA-UHFFFAOYSA-N -1 0 371.415 -0.196 20 0 FBADRM O=C([O-])NCCOCC(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000740668925 602660001 /nfs/dbraw/zinc/66/00/01/602660001.db2.gz USSRFWYNXBZNBR-UHFFFAOYSA-N -1 0 350.331 -0.039 20 0 FBADRM O=C([O-])NCCOCC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000740668989 602658939 /nfs/dbraw/zinc/65/89/39/602658939.db2.gz WEDHDOQQWUIRMC-UHFFFAOYSA-N -1 0 370.450 -0.183 20 0 FBADRM O=C([O-])NCCOCC(=O)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000740669123 602664386 /nfs/dbraw/zinc/66/43/86/602664386.db2.gz YLZCMBDPRIWVGB-JTQLQIEISA-N -1 0 363.461 -0.253 20 0 FBADRM O=C([O-])NCCOCC(=O)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000740669124 602664404 /nfs/dbraw/zinc/66/44/04/602664404.db2.gz YLZCMBDPRIWVGB-SNVBAGLBSA-N -1 0 363.461 -0.253 20 0 FBADRM O=C([O-])NCCOCC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000740669146 602666345 /nfs/dbraw/zinc/66/63/45/602666345.db2.gz YXMAALSJYNRLEH-UHFFFAOYSA-N -1 0 370.450 -0.136 20 0 FBADRM O=C([O-])NCCc1ccc(CNC(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000740672300 602898074 /nfs/dbraw/zinc/89/80/74/602898074.db2.gz XHYRWFOTCDZBBY-UHFFFAOYSA-N -1 0 363.374 -0.152 20 0 FBADRM O=C([O-])NCc1ccc(C(=O)NCC(=O)NCCN2CCOCC2)cc1 ZINC000740673242 602544760 /nfs/dbraw/zinc/54/47/60/602544760.db2.gz HKGYEADDGBQBAS-UHFFFAOYSA-N -1 0 364.402 -0.368 20 0 FBADRM O=C([O-])NCc1nc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cs1 ZINC000740682938 602707068 /nfs/dbraw/zinc/70/70/68/602707068.db2.gz WTEKMEUZXCJHIT-UHFFFAOYSA-N -1 0 367.431 -0.053 20 0 FBADRM O=C([O-])N[C@@H](C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000740684451 601862573 /nfs/dbraw/zinc/86/25/73/601862573.db2.gz ITPCDALYFUVMOC-CQSZACIVSA-N -1 0 374.397 -0.055 20 0 FBADRM O=C([O-])NCc1nc(C(=O)OCC(=O)NCC(=O)N2CCCC2)cs1 ZINC000740684809 602723357 /nfs/dbraw/zinc/72/33/57/602723357.db2.gz CIOQGBHLBCFNHB-UHFFFAOYSA-N -1 0 370.387 -0.194 20 0 FBADRM O=C([O-])N[C@@H](C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 ZINC000740684999 602027589 /nfs/dbraw/zinc/02/75/89/602027589.db2.gz ZNTYDYASXUUCCT-CQSZACIVSA-N -1 0 373.373 -0.647 20 0 FBADRM O=C([O-])NCc1nc(C(=O)NCCN2CCS(=O)(=O)CC2)cs1 ZINC000740685345 602709396 /nfs/dbraw/zinc/70/93/96/602709396.db2.gz VMTZGILGVOCPBS-UHFFFAOYSA-N -1 0 362.433 -0.629 20 0 FBADRM O=C([O-])NCc1nc(C(=O)NCC(=O)NCCN2CCOCC2)cs1 ZINC000740685366 602714913 /nfs/dbraw/zinc/71/49/13/602714913.db2.gz WNMVLMXBQDMZRH-UHFFFAOYSA-N -1 0 371.419 -0.911 20 0 FBADRM O=C([O-])N[C@@H](C(=O)NCCN1CCS(=O)(=O)CC1)c1ccccc1 ZINC000740686993 601906779 /nfs/dbraw/zinc/90/67/79/601906779.db2.gz LOANFVRYAAQZKM-CYBMUJFWSA-N -1 0 355.416 -0.158 20 0 FBADRM O=C([O-])N[C@@H](C(=O)NCC(=O)NCCN1CCOCC1)c1ccccc1 ZINC000740687403 602544367 /nfs/dbraw/zinc/54/43/67/602544367.db2.gz QITJHXLCJRWKOC-OAHLLOKOSA-N -1 0 364.402 -0.440 20 0 FBADRM O=C([O-])N[C@@H](C(=O)NCCS(=O)(=O)N1CCOCC1)c1ccccc1 ZINC000740687630 601941004 /nfs/dbraw/zinc/94/10/04/601941004.db2.gz VZERBZAYCWURCN-CYBMUJFWSA-N -1 0 371.415 -0.227 20 0 FBADRM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000740688642 603988555 /nfs/dbraw/zinc/98/85/55/603988555.db2.gz WIGLPWDJEKSORG-ZDUSSCGKSA-N -1 0 370.427 -0.079 20 0 FBADRM O=C([O-])N[C@H](C(=O)NCCN1CCS(=O)(=O)CC1)c1ccccc1 ZINC000740689415 601906641 /nfs/dbraw/zinc/90/66/41/601906641.db2.gz LOANFVRYAAQZKM-ZDUSSCGKSA-N -1 0 355.416 -0.158 20 0 FBADRM O=C([O-])N[C@H](C(=O)NCC(=O)NCCN1CCOCC1)c1ccccc1 ZINC000740689966 602545164 /nfs/dbraw/zinc/54/51/64/602545164.db2.gz QITJHXLCJRWKOC-HNNXBMFYSA-N -1 0 364.402 -0.440 20 0 FBADRM O=C([O-])N[C@H](C(=O)NCCS(=O)(=O)N1CCOCC1)c1ccccc1 ZINC000740690422 601940938 /nfs/dbraw/zinc/94/09/38/601940938.db2.gz VZERBZAYCWURCN-ZDUSSCGKSA-N -1 0 371.415 -0.227 20 0 FBADRM O=C([O-])N[C@H](C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 ZINC000740690908 602027634 /nfs/dbraw/zinc/02/76/34/602027634.db2.gz ZNTYDYASXUUCCT-AWEZNQCLSA-N -1 0 373.373 -0.647 20 0 FBADRM O=C([O-])N[C@H](C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000740691172 601862668 /nfs/dbraw/zinc/86/26/68/601862668.db2.gz ITPCDALYFUVMOC-AWEZNQCLSA-N -1 0 374.397 -0.055 20 0 FBADRM O=C([O-])N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NC1=NCC(=O)N1 ZINC000740691563 602546842 /nfs/dbraw/zinc/54/68/42/602546842.db2.gz MITXCEAVPAMMEK-ZDUSSCGKSA-N -1 0 370.369 -0.288 20 0 FBADRM O=C([O-])Nc1ccc(C(=O)NCCS(=O)(=O)N2CCOCC2)c(O)c1 ZINC000740697413 602857637 /nfs/dbraw/zinc/85/76/37/602857637.db2.gz DYSNDTSUFJIQQP-UHFFFAOYSA-N -1 0 373.387 -0.126 20 0 FBADRM O=C([O-])Nc1ccc(C(=O)NCCN2CCS(=O)(=O)CC2)c(O)c1 ZINC000740699510 602849667 /nfs/dbraw/zinc/84/96/67/602849667.db2.gz VQVZBNZSEXFHDA-UHFFFAOYSA-N -1 0 357.388 -0.058 20 0 FBADRM O=C([O-])Nc1ccc(CC(=O)NCC(=O)NCCN2CCOCC2)cc1 ZINC000740702720 602545170 /nfs/dbraw/zinc/54/51/70/602545170.db2.gz GXXYLVPQNXPHID-UHFFFAOYSA-N -1 0 364.402 -0.116 20 0 FBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)cc1 ZINC000740704809 603404537 /nfs/dbraw/zinc/40/45/37/603404537.db2.gz DNEGKPIQGDSFEX-UHFFFAOYSA-N -1 0 370.387 -0.133 20 0 FBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NCCCN2C(=O)CCC2=O)cn1 ZINC000740705494 602776752 /nfs/dbraw/zinc/77/67/52/602776752.db2.gz AMYYKIFVRFHTQS-UHFFFAOYSA-N -1 0 363.330 -0.235 20 0 FBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NCC(=O)NCC(F)(F)F)cn1 ZINC000740706253 602088138 /nfs/dbraw/zinc/08/81/38/602088138.db2.gz DYWJOQSGNDDGTK-UHFFFAOYSA-N -1 0 363.252 -0.095 20 0 FBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)cn1 ZINC000740706405 602658716 /nfs/dbraw/zinc/65/87/16/602658716.db2.gz HUMWJVYMOWCWKA-UHFFFAOYSA-N -1 0 364.318 -0.832 20 0 FBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)cn1 ZINC000740706944 602093937 /nfs/dbraw/zinc/09/39/37/602093937.db2.gz XWQPYGAWGPNBHC-UHFFFAOYSA-N -1 0 371.375 -0.738 20 0 FBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)cn1 ZINC000740707196 602086633 /nfs/dbraw/zinc/08/66/33/602086633.db2.gz KUGVKEGCAJUPBF-UHFFFAOYSA-N -1 0 365.346 -0.525 20 0 FBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NCCCN2CCOCC2)cn1 ZINC000740707811 602085000 /nfs/dbraw/zinc/08/50/00/602085000.db2.gz RUMYWZMNLBIGIX-UHFFFAOYSA-N -1 0 351.363 -0.052 20 0 FBADRM O=C([O-])N1CCC[C@@H](OC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000740716531 602232572 /nfs/dbraw/zinc/23/25/72/602232572.db2.gz NZRVCNPJKJVLLE-GRYCIOLGSA-N -1 0 374.415 -0.292 20 0 FBADRM O=C([O-])N1CCC[C@@H](OC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000740716533 602232526 /nfs/dbraw/zinc/23/25/26/602232526.db2.gz NZRVCNPJKJVLLE-IJLUTSLNSA-N -1 0 374.415 -0.292 20 0 FBADRM O=C([O-])N1CCC[C@@H](OC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000740716535 602232574 /nfs/dbraw/zinc/23/25/74/602232574.db2.gz NZRVCNPJKJVLLE-QJPTWQEYSA-N -1 0 374.415 -0.292 20 0 FBADRM O=C([O-])N1CCC[C@@H](OC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000740716536 602232430 /nfs/dbraw/zinc/23/24/30/602232430.db2.gz NZRVCNPJKJVLLE-SDDRHHMPSA-N -1 0 374.415 -0.292 20 0 FBADRM O=C([O-])N1CCC[C@H]1COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000740718102 602921707 /nfs/dbraw/zinc/92/17/07/602921707.db2.gz BEFUDZRUUROUHV-GRYCIOLGSA-N -1 0 374.415 -0.292 20 0 FBADRM O=C([O-])N1CCC[C@H]1COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000740718104 602921778 /nfs/dbraw/zinc/92/17/78/602921778.db2.gz BEFUDZRUUROUHV-SDDRHHMPSA-N -1 0 374.415 -0.292 20 0 FBADRM O=C([O-])N1CCC[C@H]1COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000740718107 602921634 /nfs/dbraw/zinc/92/16/34/602921634.db2.gz BEFUDZRUUROUHV-SRVKXCTJSA-N -1 0 374.415 -0.292 20 0 FBADRM O=C([O-])N1CCC[C@H]1COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000740718110 602921644 /nfs/dbraw/zinc/92/16/44/602921644.db2.gz BEFUDZRUUROUHV-WOPDTQHZSA-N -1 0 374.415 -0.292 20 0 FBADRM O=C([O-])N1CCC[C@@H]1COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 ZINC000740718156 602911941 /nfs/dbraw/zinc/91/19/41/602911941.db2.gz BLZDBZMERLLVHA-SECBINFHSA-N -1 0 356.360 -0.358 20 0 FBADRM O=C([O-])N1CCC[C@H]1COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 ZINC000740718160 602911871 /nfs/dbraw/zinc/91/18/71/602911871.db2.gz BLZDBZMERLLVHA-VIFPVBQESA-N -1 0 356.360 -0.358 20 0 FBADRM O=C([O-])N1CC[C@@H](OC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000740718262 602683564 /nfs/dbraw/zinc/68/35/64/602683564.db2.gz BCUFWPNFWOINPU-GARJFASQSA-N -1 0 360.388 -0.683 20 0 FBADRM O=C([O-])N1CC[C@@H](OC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000740718266 602683721 /nfs/dbraw/zinc/68/37/21/602683721.db2.gz BCUFWPNFWOINPU-GMTAPVOTSA-N -1 0 360.388 -0.683 20 0 FBADRM O=C([O-])N1CC[C@@H](OC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000740718268 602683592 /nfs/dbraw/zinc/68/35/92/602683592.db2.gz BCUFWPNFWOINPU-HBNTYKKESA-N -1 0 360.388 -0.683 20 0 FBADRM O=C([O-])N1CC[C@@H](OC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000740718271 602683684 /nfs/dbraw/zinc/68/36/84/602683684.db2.gz BCUFWPNFWOINPU-OUAUKWLOSA-N -1 0 360.388 -0.683 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)OCCN3C(=O)CNC3=O)nn2)CC1 ZINC000740718464 602041086 /nfs/dbraw/zinc/04/10/86/602041086.db2.gz BKSBUWHVKQWDHE-UHFFFAOYSA-N -1 0 366.334 -0.698 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)OCCN3CCNC3=O)nn2)CC1 ZINC000740718553 602232874 /nfs/dbraw/zinc/23/28/74/602232874.db2.gz DFGLZMRYKZNWMT-UHFFFAOYSA-N -1 0 352.351 -0.225 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)OCCN3C(=O)CCC3=O)nn2)CC1 ZINC000740719718 602043008 /nfs/dbraw/zinc/04/30/08/602043008.db2.gz IJAWWSLANYCVOX-UHFFFAOYSA-N -1 0 365.346 -0.101 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)OCC(=O)N3CCOCC3)nn2)CC1 ZINC000740720210 602043462 /nfs/dbraw/zinc/04/34/62/602043462.db2.gz FTKWPPUEYLSDCU-UHFFFAOYSA-N -1 0 367.362 -0.391 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)N1CCC2(CC1)OCCO2 ZINC000740720266 603151978 /nfs/dbraw/zinc/15/19/78/603151978.db2.gz GYNRSKPACKTUSL-GHMZBOCLSA-N -1 0 358.347 -0.992 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)N1CCC2(CC1)OCCO2 ZINC000740720267 603152046 /nfs/dbraw/zinc/15/20/46/603152046.db2.gz GYNRSKPACKTUSL-MNOVXSKESA-N -1 0 358.347 -0.992 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)N1CCC2(CC1)OCCO2 ZINC000740720268 603152048 /nfs/dbraw/zinc/15/20/48/603152048.db2.gz GYNRSKPACKTUSL-QWRGUYRKSA-N -1 0 358.347 -0.992 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)N1CCC2(CC1)OCCO2 ZINC000740720269 603151986 /nfs/dbraw/zinc/15/19/86/603151986.db2.gz GYNRSKPACKTUSL-WDEREUQCSA-N -1 0 358.347 -0.992 20 0 FBADRM O=C([O-])[C@H]1CC(C(=O)OCC(=O)N2CCNC2=O)=NN1c1ccccc1 ZINC000740720289 596964914 /nfs/dbraw/zinc/96/49/14/596964914.db2.gz HXZYPKQQKGHQRS-GFCCVEGCSA-N -1 0 360.326 -0.199 20 0 FBADRM O=C([O-])[C@@H]1CC(C(=O)OCC(=O)N2CCNC2=O)=NN1c1ccccc1 ZINC000740720291 596964625 /nfs/dbraw/zinc/96/46/25/596964625.db2.gz HXZYPKQQKGHQRS-LBPRGKRZSA-N -1 0 360.326 -0.199 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCCNS(=O)(=O)c1ccccc1 ZINC000740720688 603149359 /nfs/dbraw/zinc/14/93/59/603149359.db2.gz OJHGQWQAOVCUEQ-CMPLNLGQSA-N -1 0 358.372 -0.379 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCCNS(=O)(=O)c1ccccc1 ZINC000740720689 603149488 /nfs/dbraw/zinc/14/94/88/603149488.db2.gz OJHGQWQAOVCUEQ-JQWIXIFHSA-N -1 0 358.372 -0.379 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCCNS(=O)(=O)c1ccccc1 ZINC000740720690 603149472 /nfs/dbraw/zinc/14/94/72/603149472.db2.gz OJHGQWQAOVCUEQ-PWSUYJOCSA-N -1 0 358.372 -0.379 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCCNS(=O)(=O)c1ccccc1 ZINC000740720691 603149506 /nfs/dbraw/zinc/14/95/06/603149506.db2.gz OJHGQWQAOVCUEQ-ZYHUDNBSSA-N -1 0 358.372 -0.379 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000740722080 602936458 /nfs/dbraw/zinc/93/64/58/602936458.db2.gz OHUMAAAKDODADL-LBPRGKRZSA-N -1 0 353.375 -0.247 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)OCC(=O)N3CCNC3=O)nn2)CC1 ZINC000740722186 602041269 /nfs/dbraw/zinc/04/12/69/602041269.db2.gz PUKUPOGUUAQNGN-UHFFFAOYSA-N -1 0 366.334 -0.698 20 0 FBADRM O=C([O-])N1CC[C@@H](OC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000740722297 602680358 /nfs/dbraw/zinc/68/03/58/602680358.db2.gz UAFIOTSYQAYFFY-NXEZZACHSA-N -1 0 373.387 -0.553 20 0 FBADRM O=C([O-])N1CC[C@H](OC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000740722299 603324246 /nfs/dbraw/zinc/32/42/46/603324246.db2.gz UAFIOTSYQAYFFY-UWVGGRQHSA-N -1 0 373.387 -0.553 20 0 FBADRM O=C([O-])N1CC[C@@H](OC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000740722301 602680458 /nfs/dbraw/zinc/68/04/58/602680458.db2.gz UAFIOTSYQAYFFY-VHSXEESVSA-N -1 0 373.387 -0.553 20 0 FBADRM O=C([O-])N1CC[C@H](OC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000740722303 603324236 /nfs/dbraw/zinc/32/42/36/603324236.db2.gz UAFIOTSYQAYFFY-ZJUUUORDSA-N -1 0 373.387 -0.553 20 0 FBADRM O=C([O-])[C@H]1CC(C(=O)OCCN2C(=O)CNC2=O)=NN1c1ccccc1 ZINC000740722517 596962556 /nfs/dbraw/zinc/96/25/56/596962556.db2.gz ZQKJDHUNJSLYTO-GFCCVEGCSA-N -1 0 360.326 -0.199 20 0 FBADRM O=C([O-])[C@@H]1CC(C(=O)OCCN2C(=O)CNC2=O)=NN1c1ccccc1 ZINC000740722520 596962642 /nfs/dbraw/zinc/96/26/42/596962642.db2.gz ZQKJDHUNJSLYTO-LBPRGKRZSA-N -1 0 360.326 -0.199 20 0 FBADRM O=C([O-])N1CC[C@@H](COC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000740723095 661792109 /nfs/dbraw/zinc/79/21/09/661792109.db2.gz VARSCWAULDOONX-GRYCIOLGSA-N -1 0 374.415 -0.435 20 0 FBADRM O=C([O-])N1CC[C@@H](COC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000740723097 661792289 /nfs/dbraw/zinc/79/22/89/661792289.db2.gz VARSCWAULDOONX-IJLUTSLNSA-N -1 0 374.415 -0.435 20 0 FBADRM O=C([O-])N1CC[C@@H](COC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000740723100 661792247 /nfs/dbraw/zinc/79/22/47/661792247.db2.gz VARSCWAULDOONX-UTUOFQBUSA-N -1 0 374.415 -0.435 20 0 FBADRM O=C([O-])N1CC[C@@H](COC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000740723102 661792165 /nfs/dbraw/zinc/79/21/65/661792165.db2.gz VARSCWAULDOONX-WOPDTQHZSA-N -1 0 374.415 -0.435 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000740723169 603161777 /nfs/dbraw/zinc/16/17/77/603161777.db2.gz SXRAUYUIZZUELW-MROQNXINSA-N -1 0 356.375 -0.187 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000740723171 603161826 /nfs/dbraw/zinc/16/18/26/603161826.db2.gz SXRAUYUIZZUELW-WUHRBBMRSA-N -1 0 356.375 -0.187 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000740723173 603161775 /nfs/dbraw/zinc/16/17/75/603161775.db2.gz SXRAUYUIZZUELW-YVECIDJPSA-N -1 0 356.375 -0.187 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000740723175 603161695 /nfs/dbraw/zinc/16/16/95/603161695.db2.gz SXRAUYUIZZUELW-ZDEQEGDKSA-N -1 0 356.375 -0.187 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)OCC(=O)N3CCCC3=O)nn2)CC1 ZINC000740723186 602042838 /nfs/dbraw/zinc/04/28/38/602042838.db2.gz SZPLMTMCUMYLMZ-UHFFFAOYSA-N -1 0 365.346 -0.101 20 0 FBADRM O=C([O-])N1CC[C@@H](C(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000740723229 602902924 /nfs/dbraw/zinc/90/29/24/602902924.db2.gz UFAAYDRLLRPVDB-GFCCVEGCSA-N -1 0 353.375 -0.390 20 0 FBADRM O=C([O-])N1CC[C@H](C(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000740723231 602903011 /nfs/dbraw/zinc/90/30/11/602903011.db2.gz UFAAYDRLLRPVDB-LBPRGKRZSA-N -1 0 353.375 -0.390 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)O[C@H]3CCS(=O)(=O)C3)nn2)CC1 ZINC000740723690 602214978 /nfs/dbraw/zinc/21/49/78/602214978.db2.gz XSSVFOIKWGTIEH-JTQLQIEISA-N -1 0 358.376 -0.063 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)O[C@@H]3CCS(=O)(=O)C3)nn2)CC1 ZINC000740723691 602214954 /nfs/dbraw/zinc/21/49/54/602214954.db2.gz XSSVFOIKWGTIEH-SNVBAGLBSA-N -1 0 358.376 -0.063 20 0 FBADRM O=C([O-])N1CC[C@H](OC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000740725302 603323331 /nfs/dbraw/zinc/32/33/31/603323331.db2.gz BCUFWPNFWOINPU-AXFHLTTASA-N -1 0 360.388 -0.683 20 0 FBADRM O=C([O-])N1CC[C@H](OC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000740725304 603323444 /nfs/dbraw/zinc/32/34/44/603323444.db2.gz BCUFWPNFWOINPU-DCAQKATOSA-N -1 0 360.388 -0.683 20 0 FBADRM O=C([O-])N1CC[C@H](OC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000740725306 603323611 /nfs/dbraw/zinc/32/36/11/603323611.db2.gz BCUFWPNFWOINPU-MXWKQRLJSA-N -1 0 360.388 -0.683 20 0 FBADRM O=C([O-])N1CC[C@H](OC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000740725308 603323513 /nfs/dbraw/zinc/32/35/13/603323513.db2.gz BCUFWPNFWOINPU-VWYCJHECSA-N -1 0 360.388 -0.683 20 0 FBADRM O=C([O-])N1CCCC[C@@H]1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000740727883 602493337 /nfs/dbraw/zinc/49/33/37/602493337.db2.gz HZUQWBHGHUUWSF-CHWSQXEVSA-N -1 0 359.448 -0.150 20 0 FBADRM O=C([O-])N1CCCC[C@H]1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000740727884 602493156 /nfs/dbraw/zinc/49/31/56/602493156.db2.gz HZUQWBHGHUUWSF-OLZOCXBDSA-N -1 0 359.448 -0.150 20 0 FBADRM O=C([O-])N1CCCC[C@@H]1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000740727885 602493141 /nfs/dbraw/zinc/49/31/41/602493141.db2.gz HZUQWBHGHUUWSF-QWHCGFSZSA-N -1 0 359.448 -0.150 20 0 FBADRM O=C([O-])N1CCCC[C@H]1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000740727886 602493373 /nfs/dbraw/zinc/49/33/73/602493373.db2.gz HZUQWBHGHUUWSF-STQMWFEESA-N -1 0 359.448 -0.150 20 0 FBADRM O=C([O-])N1CSC[C@@H]1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000740728581 601918913 /nfs/dbraw/zinc/91/89/13/601918913.db2.gz YEJPULAXJXLRNL-GHMZBOCLSA-N -1 0 363.461 -0.629 20 0 FBADRM O=C([O-])N1CSC[C@@H]1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000740728582 601919050 /nfs/dbraw/zinc/91/90/50/601919050.db2.gz YEJPULAXJXLRNL-WDEREUQCSA-N -1 0 363.461 -0.629 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000740728934 603191714 /nfs/dbraw/zinc/19/17/14/603191714.db2.gz IBABICSTRAXIOZ-NEPJUHHUSA-N -1 0 364.358 -0.815 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000740728935 603191918 /nfs/dbraw/zinc/19/19/18/603191918.db2.gz IBABICSTRAXIOZ-NWDGAFQWSA-N -1 0 364.358 -0.815 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000740728936 603191869 /nfs/dbraw/zinc/19/18/69/603191869.db2.gz IBABICSTRAXIOZ-RYUDHWBXSA-N -1 0 364.358 -0.815 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000740728937 603192080 /nfs/dbraw/zinc/19/20/80/603192080.db2.gz IBABICSTRAXIOZ-VXGBXAGGSA-N -1 0 364.358 -0.815 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000740728981 602882763 /nfs/dbraw/zinc/88/27/63/602882763.db2.gz JNCAVBNAIOQEBL-GFCCVEGCSA-N -1 0 364.358 -0.550 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000740728982 602882716 /nfs/dbraw/zinc/88/27/16/602882716.db2.gz JNCAVBNAIOQEBL-LBPRGKRZSA-N -1 0 364.358 -0.550 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)C(=O)C1 ZINC000740729266 602993942 /nfs/dbraw/zinc/99/39/42/602993942.db2.gz IJFLXECTDCPVAX-AWEZNQCLSA-N -1 0 374.397 -0.102 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)C(=O)C1 ZINC000740729267 602993970 /nfs/dbraw/zinc/99/39/70/602993970.db2.gz IJFLXECTDCPVAX-CQSZACIVSA-N -1 0 374.397 -0.102 20 0 FBADRM O=C([O-])C1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 ZINC000740729328 601341987 /nfs/dbraw/zinc/34/19/87/601341987.db2.gz AXSFSVLOQCFDCT-UHFFFAOYSA-N -1 0 374.397 -0.116 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)CC1 ZINC000740729611 602589639 /nfs/dbraw/zinc/58/96/39/602589639.db2.gz KKZSUPLHVDKDRY-NEPJUHHUSA-N -1 0 352.391 -0.674 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)C2)CC1 ZINC000740729612 602666097 /nfs/dbraw/zinc/66/60/97/602666097.db2.gz KKZSUPLHVDKDRY-NWDGAFQWSA-N -1 0 352.391 -0.674 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)CC1 ZINC000740729613 602589600 /nfs/dbraw/zinc/58/96/00/602589600.db2.gz KKZSUPLHVDKDRY-RYUDHWBXSA-N -1 0 352.391 -0.674 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)C2)CC1 ZINC000740729614 602666058 /nfs/dbraw/zinc/66/60/58/602666058.db2.gz KKZSUPLHVDKDRY-VXGBXAGGSA-N -1 0 352.391 -0.674 20 0 FBADRM O=C([O-])N1CC[C@H](C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 ZINC000740729649 603224826 /nfs/dbraw/zinc/22/48/26/603224826.db2.gz FFZIKTLSDPDFQQ-AWEZNQCLSA-N -1 0 374.397 -0.125 20 0 FBADRM O=C([O-])N1CC[C@@H](C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 ZINC000740729652 603224860 /nfs/dbraw/zinc/22/48/60/603224860.db2.gz FFZIKTLSDPDFQQ-CQSZACIVSA-N -1 0 374.397 -0.125 20 0 FBADRM O=C([O-])[C@H]1CC(C(=O)OCC(=O)N2CCNC(=O)C2)=NN1c1ccccc1 ZINC000740730024 596964849 /nfs/dbraw/zinc/96/48/49/596964849.db2.gz ITMQSGJTMRLJGJ-CYBMUJFWSA-N -1 0 374.353 -0.793 20 0 FBADRM O=C([O-])[C@@H]1CC(C(=O)OCC(=O)N2CCNC(=O)C2)=NN1c1ccccc1 ZINC000740730027 596964605 /nfs/dbraw/zinc/96/46/05/596964605.db2.gz ITMQSGJTMRLJGJ-ZDUSSCGKSA-N -1 0 374.353 -0.793 20 0 FBADRM O=C([O-])N1[C@H](C(=O)OCC(=O)N2CCNC(=O)C2)C[C@@H]2CCCC[C@@H]21 ZINC000740730843 602655535 /nfs/dbraw/zinc/65/55/35/602655535.db2.gz NOCBPDHNOLCWSO-SRVKXCTJSA-N -1 0 353.375 -0.201 20 0 FBADRM O=C([O-])N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000740730848 602655567 /nfs/dbraw/zinc/65/55/67/602655567.db2.gz NOCBPDHNOLCWSO-TUAOUCFPSA-N -1 0 353.375 -0.201 20 0 FBADRM O=C([O-])N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000740730852 602655557 /nfs/dbraw/zinc/65/55/57/602655557.db2.gz NOCBPDHNOLCWSO-UTUOFQBUSA-N -1 0 353.375 -0.201 20 0 FBADRM O=C([O-])N1[C@H](C(=O)OCC(=O)N2CCNC(=O)C2)C[C@H]2CCCC[C@@H]21 ZINC000740730855 602655566 /nfs/dbraw/zinc/65/55/66/602655566.db2.gz NOCBPDHNOLCWSO-WOPDTQHZSA-N -1 0 353.375 -0.201 20 0 FBADRM O=C([O-])N1CCN(c2ccc(NC(=O)CN3CC(=O)NC3=O)nc2)CC1 ZINC000740731001 602591260 /nfs/dbraw/zinc/59/12/60/602591260.db2.gz PPSVVFSBUZNGET-UHFFFAOYSA-N -1 0 362.346 -0.628 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000740731702 602698032 /nfs/dbraw/zinc/69/80/32/602698032.db2.gz DVVITJICAIIMJZ-UHFFFAOYSA-N -1 0 367.406 -0.833 20 0 FBADRM O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000740731755 603299950 /nfs/dbraw/zinc/29/99/50/603299950.db2.gz GDBOQTPKKYJLCZ-PXAZEXFGSA-N -1 0 358.354 -0.098 20 0 FBADRM O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000740731756 603299943 /nfs/dbraw/zinc/29/99/43/603299943.db2.gz GDBOQTPKKYJLCZ-SJKOYZFVSA-N -1 0 358.354 -0.098 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 ZINC000740732080 603162489 /nfs/dbraw/zinc/16/24/89/603162489.db2.gz VWKZYPNYGRRRMM-BXKDBHETSA-N -1 0 363.326 -0.372 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 ZINC000740732082 603162480 /nfs/dbraw/zinc/16/24/80/603162480.db2.gz VWKZYPNYGRRRMM-CABZTGNLSA-N -1 0 363.326 -0.372 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 ZINC000740732084 603162439 /nfs/dbraw/zinc/16/24/39/603162439.db2.gz VWKZYPNYGRRRMM-JOYOIKCWSA-N -1 0 363.326 -0.372 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 ZINC000740732086 603162428 /nfs/dbraw/zinc/16/24/28/603162428.db2.gz VWKZYPNYGRRRMM-SKDRFNHKSA-N -1 0 363.326 -0.372 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000740732350 603149402 /nfs/dbraw/zinc/14/94/02/603149402.db2.gz XIKSUMAKISRCAP-GXSJLCMTSA-N -1 0 364.310 -0.143 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000740732351 603149575 /nfs/dbraw/zinc/14/95/75/603149575.db2.gz XIKSUMAKISRCAP-KOLCDFICSA-N -1 0 364.310 -0.143 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000740732352 603149564 /nfs/dbraw/zinc/14/95/64/603149564.db2.gz XIKSUMAKISRCAP-MWLCHTKSSA-N -1 0 364.310 -0.143 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000740732353 603149417 /nfs/dbraw/zinc/14/94/17/603149417.db2.gz XIKSUMAKISRCAP-ONGXEEELSA-N -1 0 364.310 -0.143 20 0 FBADRM O=C([O-])N(CC(=O)N1CCC2(CC1)NC(=O)NC2=O)C[C@@H]1CCCO1 ZINC000740732766 602836876 /nfs/dbraw/zinc/83/68/76/602836876.db2.gz MYABOEPJMTXMFW-JTQLQIEISA-N -1 0 354.363 -0.654 20 0 FBADRM O=C([O-])N(CC(=O)N1CCC2(CC1)NC(=O)NC2=O)C[C@H]1CCCO1 ZINC000740732767 602836634 /nfs/dbraw/zinc/83/66/34/602836634.db2.gz MYABOEPJMTXMFW-SNVBAGLBSA-N -1 0 354.363 -0.654 20 0 FBADRM O=C([O-])[C@H]1CC(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)=NN1c1ccccc1 ZINC000740733464 597041697 /nfs/dbraw/zinc/04/16/97/597041697.db2.gz VUOXKHHRMLSUGQ-PXAZEXFGSA-N -1 0 371.353 -0.484 20 0 FBADRM O=C([O-])[C@@H]1CC(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)=NN1c1ccccc1 ZINC000740733468 597041934 /nfs/dbraw/zinc/04/19/34/597041934.db2.gz VUOXKHHRMLSUGQ-SJCJKPOMSA-N -1 0 371.353 -0.484 20 0 FBADRM O=C([O-])[C@H]1CC(C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)=NN1c1ccccc1 ZINC000740733471 597041765 /nfs/dbraw/zinc/04/17/65/597041765.db2.gz VUOXKHHRMLSUGQ-SJKOYZFVSA-N -1 0 371.353 -0.484 20 0 FBADRM O=C([O-])[C@@H]1CC(C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)=NN1c1ccccc1 ZINC000740733476 597042012 /nfs/dbraw/zinc/04/20/12/597042012.db2.gz VUOXKHHRMLSUGQ-YVEFUNNKSA-N -1 0 371.353 -0.484 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)C(=O)C1 ZINC000740733668 602998873 /nfs/dbraw/zinc/99/88/73/602998873.db2.gz WYNOBPDCTUNKTN-HNNXBMFYSA-N -1 0 360.370 -0.492 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCNC(=O)[C@H]2c2ccccc2)C(=O)C1 ZINC000740733671 602999307 /nfs/dbraw/zinc/99/93/07/602999307.db2.gz WYNOBPDCTUNKTN-OAHLLOKOSA-N -1 0 360.370 -0.492 20 0 FBADRM CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000740758423 660559227 /nfs/dbraw/zinc/55/92/27/660559227.db2.gz KNAJGHLGZIXAOJ-UHFFFAOYSA-N -1 0 358.420 -0.375 20 0 FBADRM NS(=O)(=O)c1ccc(=N[N-]S(=O)(=O)C[C@H]2CCCCO2)[nH]c1 ZINC000740811095 660559488 /nfs/dbraw/zinc/55/94/88/660559488.db2.gz PJORETFXCPMWJL-SECBINFHSA-N -1 0 350.422 -0.456 20 0 FBADRM NS(=O)(=O)c1ccc(=N[N-]S(=O)(=O)C[C@@H]2CCCCO2)[nH]c1 ZINC000740811096 660559561 /nfs/dbraw/zinc/55/95/61/660559561.db2.gz PJORETFXCPMWJL-VIFPVBQESA-N -1 0 350.422 -0.456 20 0 FBADRM CC(C)CCn1cc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)nn1 ZINC000741110324 660560417 /nfs/dbraw/zinc/56/04/17/660560417.db2.gz VLQRQSLKIDJQQV-UHFFFAOYSA-N -1 0 368.419 -0.120 20 0 FBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C)C(C)C ZINC000741430011 660564110 /nfs/dbraw/zinc/56/41/10/660564110.db2.gz XSKJMWITLAVFPL-LBPRGKRZSA-N -1 0 360.436 -0.371 20 0 FBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1)C(C)C ZINC000741436650 660564013 /nfs/dbraw/zinc/56/40/13/660564013.db2.gz OHMXQHKIFWIFQN-AAEUAGOBSA-N -1 0 350.437 -0.211 20 0 FBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1)C(C)C ZINC000741436651 660564111 /nfs/dbraw/zinc/56/41/11/660564111.db2.gz OHMXQHKIFWIFQN-YPMHNXCESA-N -1 0 350.437 -0.211 20 0 FBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)OC)C(C)C ZINC000741437984 660564034 /nfs/dbraw/zinc/56/40/34/660564034.db2.gz DDFPZOHOZWCVCR-LBPRGKRZSA-N -1 0 352.409 -0.827 20 0 FBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl)C(C)C ZINC000741438158 660564066 /nfs/dbraw/zinc/56/40/66/660564066.db2.gz MYBWWXDXJNBRFB-VIFPVBQESA-N -1 0 366.827 -0.334 20 0 FBADRM CC(C)S(=O)(=O)[N-]C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000741439710 660563950 /nfs/dbraw/zinc/56/39/50/660563950.db2.gz WKDSIMSGGVXCQH-UHFFFAOYSA-N -1 0 363.436 -0.080 20 0 FBADRM CCCS(=O)(=O)[N-]C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000741442849 660564092 /nfs/dbraw/zinc/56/40/92/660564092.db2.gz NKMBUCCPCHTKAN-UHFFFAOYSA-N -1 0 363.436 -0.078 20 0 FBADRM CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000741595918 660564249 /nfs/dbraw/zinc/56/42/49/660564249.db2.gz BBQJUFXRXNEKGQ-NEPJUHHUSA-N -1 0 367.431 -0.115 20 0 FBADRM CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000741595919 660564353 /nfs/dbraw/zinc/56/43/53/660564353.db2.gz BBQJUFXRXNEKGQ-NWDGAFQWSA-N -1 0 367.431 -0.115 20 0 FBADRM CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000741595920 660564240 /nfs/dbraw/zinc/56/42/40/660564240.db2.gz BBQJUFXRXNEKGQ-RYUDHWBXSA-N -1 0 367.431 -0.115 20 0 FBADRM CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000741595921 660564335 /nfs/dbraw/zinc/56/43/35/660564335.db2.gz BBQJUFXRXNEKGQ-VXGBXAGGSA-N -1 0 367.431 -0.115 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)NCC(=O)[N-]OCc2ccccc2)c[nH]1 ZINC000742243166 660567429 /nfs/dbraw/zinc/56/74/29/660567429.db2.gz LQWRQERKBNDZFS-UHFFFAOYSA-N -1 0 352.372 -0.360 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCNC(=O)[C@H]1c1cccs1 ZINC000742847818 660571593 /nfs/dbraw/zinc/57/15/93/660571593.db2.gz SYERRYKRDMGTFO-GFCCVEGCSA-N -1 0 358.383 -0.168 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000742847819 660571571 /nfs/dbraw/zinc/57/15/71/660571571.db2.gz SYERRYKRDMGTFO-LBPRGKRZSA-N -1 0 358.383 -0.168 20 0 FBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ncn(CC(=O)OC)n1 ZINC000743047701 660572268 /nfs/dbraw/zinc/57/22/68/660572268.db2.gz ARIILTZZOIDEKP-UHFFFAOYSA-N -1 0 372.363 -0.540 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)n1 ZINC000743048088 660572217 /nfs/dbraw/zinc/57/22/17/660572217.db2.gz HVCUWEWIELHOSK-UHFFFAOYSA-N -1 0 352.328 -0.078 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc3c2COC3=O)n1 ZINC000743048716 660572170 /nfs/dbraw/zinc/57/21/70/660572170.db2.gz XTQJWZZSXAEVFO-UHFFFAOYSA-N -1 0 352.328 -0.078 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2F)n1 ZINC000743049223 660572282 /nfs/dbraw/zinc/57/22/82/660572282.db2.gz CYSHEGXXXLEMEA-UHFFFAOYSA-N -1 0 371.350 -0.249 20 0 FBADRM O=C([O-])COCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000743381956 660573543 /nfs/dbraw/zinc/57/35/43/660573543.db2.gz LPIVYTKLAQXESA-UHFFFAOYSA-N -1 0 360.363 -0.240 20 0 FBADRM O=C([O-])COCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000743414446 660573521 /nfs/dbraw/zinc/57/35/21/660573521.db2.gz XPHVQJNWHPXYSB-UHFFFAOYSA-N -1 0 356.400 -0.238 20 0 FBADRM CC(C)S(=O)(=O)[N-]C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000743494952 660573910 /nfs/dbraw/zinc/57/39/10/660573910.db2.gz XXDRIJALDSZUMF-UHFFFAOYSA-N -1 0 365.411 -0.087 20 0 FBADRM CC(C)S(=O)(=O)[N-]C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000743496156 660573886 /nfs/dbraw/zinc/57/38/86/660573886.db2.gz TXBLUIBIYAQPMB-UHFFFAOYSA-N -1 0 359.429 -0.078 20 0 FBADRM CC(C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000743502147 660573877 /nfs/dbraw/zinc/57/38/77/660573877.db2.gz SRJPLGBNHWVYDP-UHFFFAOYSA-N -1 0 366.417 -0.232 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCN(C(=O)COCC(=O)[O-])CC2)cc1 ZINC000743502173 660573939 /nfs/dbraw/zinc/57/39/39/660573939.db2.gz VLKDANZVKKGWMJ-UHFFFAOYSA-N -1 0 372.399 -0.371 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000743633498 660574485 /nfs/dbraw/zinc/57/44/85/660574485.db2.gz LDDIPFCHIJWLOE-UHFFFAOYSA-N -1 0 355.372 -0.179 20 0 FBADRM CCO[C@@H](C)c1noc(CN2CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)n1 ZINC000743735183 660575146 /nfs/dbraw/zinc/57/51/46/660575146.db2.gz BRPYQNDOSGMTLZ-JTQLQIEISA-N -1 0 350.379 -0.313 20 0 FBADRM CCO[C@H](C)c1noc(CN2CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)n1 ZINC000743735184 660575137 /nfs/dbraw/zinc/57/51/37/660575137.db2.gz BRPYQNDOSGMTLZ-SNVBAGLBSA-N -1 0 350.379 -0.313 20 0 FBADRM CCOC(=O)c1cnc(N2CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)s1 ZINC000743751408 660575132 /nfs/dbraw/zinc/57/51/32/660575132.db2.gz GHXIOGXIWSCRKI-UHFFFAOYSA-N -1 0 351.388 -0.156 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)cc1 ZINC000744002361 660576049 /nfs/dbraw/zinc/57/60/49/660576049.db2.gz NXOWEYRTQKWBNT-UHFFFAOYSA-N -1 0 353.360 -0.719 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)cc1 ZINC000744003426 660575998 /nfs/dbraw/zinc/57/59/98/660575998.db2.gz MCDAHNZWYUIMSE-UHFFFAOYSA-N -1 0 351.344 -0.915 20 0 FBADRM CN(CCCC(=O)[N-]S(C)(=O)=O)C1=NS(=O)(=O)c2ccccc21 ZINC000744004733 660575867 /nfs/dbraw/zinc/57/58/67/660575867.db2.gz KFDUMRUEIFWYLH-UHFFFAOYSA-N -1 0 359.429 -0.077 20 0 FBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000744006077 660575836 /nfs/dbraw/zinc/57/58/36/660575836.db2.gz ZUNRLZVBHPFUPK-UHFFFAOYSA-N -1 0 366.403 -0.226 20 0 FBADRM CCCCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000744009860 660575950 /nfs/dbraw/zinc/57/59/50/660575950.db2.gz WECAGDSIELUUQX-UHFFFAOYSA-N -1 0 362.429 -0.195 20 0 FBADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)cc1 ZINC000744012109 660575881 /nfs/dbraw/zinc/57/58/81/660575881.db2.gz JPAXWAZTEBMHHZ-UHFFFAOYSA-N -1 0 351.388 -0.165 20 0 FBADRM CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000744012385 660576018 /nfs/dbraw/zinc/57/60/18/660576018.db2.gz NHLKEMNWYUTCPJ-UHFFFAOYSA-N -1 0 358.420 -0.519 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)c1 ZINC000744012718 660575873 /nfs/dbraw/zinc/57/58/73/660575873.db2.gz QIJDFPQWNSCXSC-UHFFFAOYSA-N -1 0 351.344 -0.915 20 0 FBADRM CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 ZINC000744013375 660575927 /nfs/dbraw/zinc/57/59/27/660575927.db2.gz XHZADPKHRISZLJ-UHFFFAOYSA-N -1 0 364.383 -0.398 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cc(C3CC3)n(C)n2)cc1C(N)=O ZINC000744013398 660576027 /nfs/dbraw/zinc/57/60/27/660576027.db2.gz YJLXFOHXFVIFEN-UHFFFAOYSA-N -1 0 351.388 -0.146 20 0 FBADRM NC(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCC3)nn1 ZINC000744017404 660576029 /nfs/dbraw/zinc/57/60/29/660576029.db2.gz VNANCWSVWDBCKO-UHFFFAOYSA-N -1 0 363.399 -0.239 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)nnn1C ZINC000744039141 660576127 /nfs/dbraw/zinc/57/61/27/660576127.db2.gz CMYYAJMAAYIQEY-UHFFFAOYSA-N -1 0 362.375 -0.567 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)nnn1C ZINC000744041671 660576228 /nfs/dbraw/zinc/57/62/28/660576228.db2.gz XGPXKAMQNNSGDJ-UHFFFAOYSA-N -1 0 358.401 -0.354 20 0 FBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000744059216 660576231 /nfs/dbraw/zinc/57/62/31/660576231.db2.gz SJZRRPCIUVGFJO-UHFFFAOYSA-N -1 0 363.436 -0.461 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(CNC(N)=O)cc2)nnn1C ZINC000744066290 660576084 /nfs/dbraw/zinc/57/60/84/660576084.db2.gz JRKMAIBCQABXIG-UHFFFAOYSA-N -1 0 352.376 -0.589 20 0 FBADRM NC(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)nn1 ZINC000744073393 660576115 /nfs/dbraw/zinc/57/61/15/660576115.db2.gz PDBCQBKHHNIUTO-UHFFFAOYSA-N -1 0 361.742 -0.325 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)c2nnn(C)c2C)s1 ZINC000744078994 660576216 /nfs/dbraw/zinc/57/62/16/660576216.db2.gz FAHCIEORKSENMT-UHFFFAOYSA-N -1 0 371.444 -0.018 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)c2nnn(C)c2C)s1 ZINC000744079167 660576168 /nfs/dbraw/zinc/57/61/68/660576168.db2.gz KGVUQFNDZDWVRG-UHFFFAOYSA-N -1 0 357.417 -0.060 20 0 FBADRM NC(=O)Cn1cc(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)nn1 ZINC000744079348 660576220 /nfs/dbraw/zinc/57/62/20/660576220.db2.gz NHIRTUSMTWOSBZ-UHFFFAOYSA-N -1 0 361.383 -0.190 20 0 FBADRM CC(C)CS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000744086339 657780444 /nfs/dbraw/zinc/78/04/44/657780444.db2.gz WOFUEAXDCDQXFA-UHFFFAOYSA-N -1 0 362.429 -0.339 20 0 FBADRM NC(=O)Cn1cc(C(=O)[N-]S(=O)(=O)N2CCCc3ccccc32)nn1 ZINC000744091230 660576192 /nfs/dbraw/zinc/57/61/92/660576192.db2.gz JNFZRTMTFKCDKM-UHFFFAOYSA-N -1 0 364.387 -0.809 20 0 FBADRM CCCCN(CCCC)S(=O)(=O)[N-]C(=O)c1cn(CC(N)=O)nn1 ZINC000744094659 660576077 /nfs/dbraw/zinc/57/60/77/660576077.db2.gz PRJRVYKQOFKALW-UHFFFAOYSA-N -1 0 360.440 -0.360 20 0 FBADRM NC(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2cccc3ncccc32)nn1 ZINC000744097746 660576154 /nfs/dbraw/zinc/57/61/54/660576154.db2.gz XOLWEZINFDPOET-UHFFFAOYSA-N -1 0 360.355 -0.570 20 0 FBADRM NC(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2cccc3cnccc32)nn1 ZINC000744109257 660576137 /nfs/dbraw/zinc/57/61/37/660576137.db2.gz SAHIFRKGLRQTJP-UHFFFAOYSA-N -1 0 360.355 -0.570 20 0 FBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)N1CCC[C@@H]1C(=O)OCC ZINC000744112299 660576436 /nfs/dbraw/zinc/57/64/36/660576436.db2.gz PJEPMJWWECFHGR-LLVKDONJSA-N -1 0 363.436 -0.319 20 0 FBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)OCC ZINC000744112300 660576452 /nfs/dbraw/zinc/57/64/52/660576452.db2.gz PJEPMJWWECFHGR-NSHDSACASA-N -1 0 363.436 -0.319 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc(OC)c(N2CCNC2=O)c1 ZINC000744125607 660576756 /nfs/dbraw/zinc/57/67/56/660576756.db2.gz QPZGJFPAZRONSF-UHFFFAOYSA-N -1 0 357.388 -0.069 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000744125806 660576746 /nfs/dbraw/zinc/57/67/46/660576746.db2.gz SWMOPQOPVIAMBC-UHFFFAOYSA-N -1 0 368.371 -0.462 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 ZINC000744127042 660576743 /nfs/dbraw/zinc/57/67/43/660576743.db2.gz KNTMKQYOVIOELZ-UHFFFAOYSA-N -1 0 362.429 -0.372 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC2CC2)cc1 ZINC000744131570 660576754 /nfs/dbraw/zinc/57/67/54/660576754.db2.gz FVORWKDMIQFMTL-UHFFFAOYSA-N -1 0 360.413 -0.585 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cn(Cc2ccccn2)nn1 ZINC000744143688 660576738 /nfs/dbraw/zinc/57/67/38/660576738.db2.gz YEIRKTMILAJNSP-UHFFFAOYSA-N -1 0 367.387 -0.266 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)nnn1C ZINC000744150958 660577100 /nfs/dbraw/zinc/57/71/00/660577100.db2.gz JDLJQAGUINOLCH-UHFFFAOYSA-N -1 0 358.401 -0.354 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)nnn1C ZINC000744152595 660577111 /nfs/dbraw/zinc/57/71/11/660577111.db2.gz YPKKBCFMICLXKX-UHFFFAOYSA-N -1 0 351.388 -0.056 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)c(C)c1C ZINC000744156996 660577082 /nfs/dbraw/zinc/57/70/82/660577082.db2.gz PNSFFOZAUCZTHJ-UHFFFAOYSA-N -1 0 367.387 -0.492 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)OCc3nc(N)nc(N)n3)cc2[n-]c1=S ZINC000744174352 660577090 /nfs/dbraw/zinc/57/70/90/660577090.db2.gz FUTCXKZDVDFEHO-UHFFFAOYSA-N -1 0 359.371 -0.071 20 0 FBADRM COc1ccccc1S(=O)(=O)[N-]C(=O)Cn1ccc(=O)n(C)c1=O ZINC000744207670 660577086 /nfs/dbraw/zinc/57/70/86/660577086.db2.gz LLOKQQKPINULFM-UHFFFAOYSA-N -1 0 353.356 -0.939 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2ccccc2OC)C(=O)C1=O ZINC000744208528 660577113 /nfs/dbraw/zinc/57/71/13/660577113.db2.gz CJKGNLCLNHLDCH-UHFFFAOYSA-N -1 0 369.399 -0.809 20 0 FBADRM COc1ccccc1S(=O)(=O)[N-]C(=O)CCN1CCCS1(=O)=O ZINC000744208843 660577095 /nfs/dbraw/zinc/57/70/95/660577095.db2.gz LEMZZSAPJHFVRP-UHFFFAOYSA-N -1 0 362.429 -0.074 20 0 FBADRM COc1ccccc1S(=O)(=O)[N-]C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000744208857 660577101 /nfs/dbraw/zinc/57/71/01/660577101.db2.gz LTARRLKWKLWIIS-UHFFFAOYSA-N -1 0 353.356 -0.789 20 0 FBADRM COc1ccccc1S(=O)(=O)[N-]C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000744209458 660577352 /nfs/dbraw/zinc/57/73/52/660577352.db2.gz LSNBXBIRTAGLNZ-UHFFFAOYSA-N -1 0 367.387 -0.506 20 0 FBADRM COc1ccccc1S(=O)(=O)[N-]C(=O)CCCN1C(=O)CNC1=O ZINC000744209664 660577350 /nfs/dbraw/zinc/57/73/50/660577350.db2.gz SYETYZJRQIRWLJ-UHFFFAOYSA-N -1 0 355.372 -0.168 20 0 FBADRM COc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000744210887 660577437 /nfs/dbraw/zinc/57/74/37/660577437.db2.gz HWUSGXJTGHFTIV-JTQLQIEISA-N -1 0 362.429 -0.076 20 0 FBADRM COc1ccccc1S(=O)(=O)[N-]C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000744210888 660577304 /nfs/dbraw/zinc/57/73/04/660577304.db2.gz HWUSGXJTGHFTIV-SNVBAGLBSA-N -1 0 362.429 -0.076 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2OC)CC1=O ZINC000744211679 660577322 /nfs/dbraw/zinc/57/73/22/660577322.db2.gz QGUFJFPVEDTWRO-LLVKDONJSA-N -1 0 356.400 -0.005 20 0 FBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2OC)CC1=O ZINC000744211680 660577277 /nfs/dbraw/zinc/57/72/77/660577277.db2.gz QGUFJFPVEDTWRO-NSHDSACASA-N -1 0 356.400 -0.005 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000744238048 660577418 /nfs/dbraw/zinc/57/74/18/660577418.db2.gz DFZXEVHKWXWYLE-UHFFFAOYSA-N -1 0 365.433 -0.010 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000744238728 660577239 /nfs/dbraw/zinc/57/72/39/660577239.db2.gz LJKOGDLPDFXMOK-UHFFFAOYSA-N -1 0 360.436 -0.200 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000744239069 660577423 /nfs/dbraw/zinc/57/74/23/660577423.db2.gz ODMUMNMDYCUPGX-UHFFFAOYSA-N -1 0 361.401 -0.856 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)NC)c(OC)c1 ZINC000744239467 660577314 /nfs/dbraw/zinc/57/73/14/660577314.db2.gz DCKALBOYXFHACD-UHFFFAOYSA-N -1 0 359.404 -0.254 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)Cn1cc(Br)ccc1=O ZINC000744239644 660577385 /nfs/dbraw/zinc/57/73/85/660577385.db2.gz VLKRIQKOYSDRQO-UHFFFAOYSA-N -1 0 352.210 -0.077 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1sccc1S(=O)(=O)N(C)C ZINC000744239928 660577435 /nfs/dbraw/zinc/57/74/35/660577435.db2.gz WOQLSTDOOXYNBI-UHFFFAOYSA-N -1 0 355.463 -0.075 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000744240072 660577389 /nfs/dbraw/zinc/57/73/89/660577389.db2.gz YDUFROAJMRDMET-UHFFFAOYSA-N -1 0 350.422 -0.985 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000744240405 660577262 /nfs/dbraw/zinc/57/72/62/660577262.db2.gz OZZSOEFTFKWBTQ-UHFFFAOYSA-N -1 0 367.387 -0.242 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)CCn1c2ccccc2c(=O)[nH]c1=O ZINC000744240468 660577333 /nfs/dbraw/zinc/57/73/33/660577333.db2.gz IEWKFBJVBPDYOZ-UHFFFAOYSA-N -1 0 354.388 -0.195 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000744240486 660577331 /nfs/dbraw/zinc/57/73/31/660577331.db2.gz IRPWIDBCZKULCC-UHFFFAOYSA-N -1 0 354.388 -0.335 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000744240496 660577275 /nfs/dbraw/zinc/57/72/75/660577275.db2.gz JAZRNNRNLGQGBY-GFCCVEGCSA-N -1 0 353.404 -0.581 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000744240497 660577347 /nfs/dbraw/zinc/57/73/47/660577347.db2.gz JAZRNNRNLGQGBY-LBPRGKRZSA-N -1 0 353.404 -0.581 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)Cn1c2ccccc2c(=O)n(CC)c1=O ZINC000744240679 660577440 /nfs/dbraw/zinc/57/74/40/660577440.db2.gz NBTDRWJLTFXXLK-UHFFFAOYSA-N -1 0 368.415 -0.504 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000744241209 660577254 /nfs/dbraw/zinc/57/72/54/660577254.db2.gz BPCBQJYCCHVKIX-UHFFFAOYSA-N -1 0 351.388 -0.103 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000744241211 660577341 /nfs/dbraw/zinc/57/73/41/660577341.db2.gz BTOMRCPFLKUTDA-UHFFFAOYSA-N -1 0 365.433 -0.205 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000744241430 660577245 /nfs/dbraw/zinc/57/72/45/660577245.db2.gz HPDRJAQWFLPIIS-UHFFFAOYSA-N -1 0 374.444 -0.620 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cccc(S(=O)(=O)N(C)OC)c1 ZINC000744242055 660577324 /nfs/dbraw/zinc/57/73/24/660577324.db2.gz SLCINMIETOAAOH-UHFFFAOYSA-N -1 0 365.433 -0.205 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000744242065 660577369 /nfs/dbraw/zinc/57/73/69/660577369.db2.gz SROJWQIWIKCIBQ-UHFFFAOYSA-N -1 0 361.445 -0.065 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)CSCC(=O)Nc1cc(C)on1 ZINC000744242086 660577373 /nfs/dbraw/zinc/57/73/73/660577373.db2.gz UCLAMTFMEXUCHC-UHFFFAOYSA-N -1 0 350.422 -0.033 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)CSc1nnnn1CC(F)(F)F ZINC000744242292 660577582 /nfs/dbraw/zinc/57/75/82/660577582.db2.gz XBZOIZWVIARVJN-UHFFFAOYSA-N -1 0 362.359 -0.360 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000744242783 660577554 /nfs/dbraw/zinc/57/75/54/660577554.db2.gz IQNFYSZYZNWFDB-GFCCVEGCSA-N -1 0 371.394 -0.442 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000744242791 660577646 /nfs/dbraw/zinc/57/76/46/660577646.db2.gz IQNFYSZYZNWFDB-LBPRGKRZSA-N -1 0 371.394 -0.442 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)N(C)CC ZINC000744242822 660577662 /nfs/dbraw/zinc/57/76/62/660577662.db2.gz JBNYBPPSEXDFMM-LLVKDONJSA-N -1 0 355.482 -0.107 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)N(C)CC ZINC000744242824 660577600 /nfs/dbraw/zinc/57/76/00/660577600.db2.gz JBNYBPPSEXDFMM-NSHDSACASA-N -1 0 355.482 -0.107 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000744243483 660577603 /nfs/dbraw/zinc/57/76/03/660577603.db2.gz SKDBFWYTQDRXHO-UHFFFAOYSA-N -1 0 360.436 -0.104 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000744243852 660577679 /nfs/dbraw/zinc/57/76/79/660577679.db2.gz WWYFHZZBWDJRLB-HZMBPMFUSA-N -1 0 360.436 -0.200 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000744243855 660577660 /nfs/dbraw/zinc/57/76/60/660577660.db2.gz WWYFHZZBWDJRLB-IINYFYTJSA-N -1 0 360.436 -0.200 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000744243859 660577597 /nfs/dbraw/zinc/57/75/97/660577597.db2.gz WWYFHZZBWDJRLB-QMTHXVAHSA-N -1 0 360.436 -0.200 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000744243863 660577655 /nfs/dbraw/zinc/57/76/55/660577655.db2.gz WWYFHZZBWDJRLB-YGRLFVJLSA-N -1 0 360.436 -0.200 20 0 FBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000744259166 660577642 /nfs/dbraw/zinc/57/76/42/660577642.db2.gz SDJKUBRZDOAZGP-UHFFFAOYSA-N -1 0 361.376 -0.139 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)[N-]S(=O)(=O)CC(F)(F)F)c1 ZINC000744263022 660577572 /nfs/dbraw/zinc/57/75/72/660577572.db2.gz APFONVPOWJAZJD-UHFFFAOYSA-N -1 0 363.339 -0.113 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000744264713 660577653 /nfs/dbraw/zinc/57/76/53/660577653.db2.gz DSZDRFAJYLLXPT-MRVPVSSYSA-N -1 0 359.326 -0.878 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000744264714 660577632 /nfs/dbraw/zinc/57/76/32/660577632.db2.gz DSZDRFAJYLLXPT-QMMMGPOBSA-N -1 0 359.326 -0.878 20 0 FBADRM O=C([N-]S(=O)(=O)CC(F)(F)F)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000744265636 660577676 /nfs/dbraw/zinc/57/76/76/660577676.db2.gz KLNPWHAREAHXDK-UHFFFAOYSA-N -1 0 373.334 -0.508 20 0 FBADRM Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)CC(F)(F)F)c(=O)n(C)c1=O ZINC000744265777 660577658 /nfs/dbraw/zinc/57/76/58/660577658.db2.gz NNQKVZFMHHMADP-ARJAWSKDSA-N -1 0 355.294 -0.895 20 0 FBADRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)CC(F)(F)F)c(=O)n(C)c1=O ZINC000744265778 660577611 /nfs/dbraw/zinc/57/76/11/660577611.db2.gz NNQKVZFMHHMADP-ONEGZZNKSA-N -1 0 355.294 -0.895 20 0 FBADRM O=C(Cn1nnc2ccccc2c1=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000744265946 660577577 /nfs/dbraw/zinc/57/75/77/660577577.db2.gz OWVRENPQZUJJRF-UHFFFAOYSA-N -1 0 350.278 -0.200 20 0 FBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000744266229 660577649 /nfs/dbraw/zinc/57/76/49/660577649.db2.gz RMGUKAOOYUPZCC-UHFFFAOYSA-N -1 0 357.310 -0.141 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)[N-]S(=O)(=O)CC(F)(F)F)c2=O ZINC000744266963 657953673 /nfs/dbraw/zinc/95/36/73/657953673.db2.gz ACRLMLGTVJNNJE-UHFFFAOYSA-N -1 0 353.282 -0.862 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000744267603 660577684 /nfs/dbraw/zinc/57/76/84/660577684.db2.gz HGXQYASVIBWCAT-SSDOTTSWSA-N -1 0 352.356 -0.191 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000744267607 660577630 /nfs/dbraw/zinc/57/76/30/660577630.db2.gz HGXQYASVIBWCAT-ZETCQYMHSA-N -1 0 352.356 -0.191 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)CC(F)(F)F)C1=O ZINC000744267639 660577560 /nfs/dbraw/zinc/57/75/60/660577560.db2.gz ICWFPQRCYOWYKL-JTQLQIEISA-N -1 0 357.310 -0.285 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)CC(F)(F)F)C1=O ZINC000744267640 660577628 /nfs/dbraw/zinc/57/76/28/660577628.db2.gz ICWFPQRCYOWYKL-SNVBAGLBSA-N -1 0 357.310 -0.285 20 0 FBADRM COc1ccccc1-n1cc(S(=O)(=O)[N-]C(=O)CS(C)(=O)=O)cn1 ZINC000744291887 660577988 /nfs/dbraw/zinc/57/79/88/660577988.db2.gz YIEUZBCZPVCAIC-UHFFFAOYSA-N -1 0 373.412 -0.270 20 0 FBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)CCOc1ccccc1 ZINC000744294850 660577959 /nfs/dbraw/zinc/57/79/59/660577959.db2.gz CYELQOPAUMKMMS-UHFFFAOYSA-N -1 0 362.429 -0.453 20 0 FBADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)CCOc2ccccc2)c1=O ZINC000744296716 660577972 /nfs/dbraw/zinc/57/79/72/660577972.db2.gz ANOZLAYYSVPXFS-UHFFFAOYSA-N -1 0 367.383 -0.928 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)CCOc2ccccc2)c(=O)[nH]c1=O ZINC000744298252 660577966 /nfs/dbraw/zinc/57/79/66/660577966.db2.gz SJBYJCQLPGECEA-UHFFFAOYSA-N -1 0 353.356 -0.376 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)CCOc1ccccc1)S(C)(=O)=O ZINC000744298855 660577968 /nfs/dbraw/zinc/57/79/68/660577968.db2.gz ATISAYJPKGLRAQ-UHFFFAOYSA-N -1 0 350.418 -0.597 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)CCOc2ccccc2)c(=O)n(C)c1=O ZINC000744298902 660577987 /nfs/dbraw/zinc/57/79/87/660577987.db2.gz CWVPALIYSATJOP-UHFFFAOYSA-N -1 0 367.383 -0.777 20 0 FBADRM O=C(CCCN1C(=O)CNC1=O)[N-]S(=O)(=O)CCOc1ccccc1 ZINC000744299892 660577973 /nfs/dbraw/zinc/57/79/73/660577973.db2.gz NTDXDSRYHSKSEG-UHFFFAOYSA-N -1 0 369.399 -0.157 20 0 FBADRM NC(=O)Cn1cc(C(=O)[N-]S(=O)(=O)CCSc2ccccc2)nn1 ZINC000744301064 660577985 /nfs/dbraw/zinc/57/79/85/660577985.db2.gz COFGVQVDWLCXCN-UHFFFAOYSA-N -1 0 369.428 -0.385 20 0 FBADRM C[C@H]1CN=C(N2CCN(C(=O)Cn3[n-]cc4c(=O)ncnc3-4)CC2)S1 ZINC000744610065 660579273 /nfs/dbraw/zinc/57/92/73/660579273.db2.gz RANXTYNLMVFROI-JTQLQIEISA-N -1 0 361.431 -0.293 20 0 FBADRM C[C@@H]1CN=C(N2CCN(C(=O)Cn3[n-]cc4c(=O)ncnc3-4)CC2)S1 ZINC000744610070 660579256 /nfs/dbraw/zinc/57/92/56/660579256.db2.gz RANXTYNLMVFROI-SNVBAGLBSA-N -1 0 361.431 -0.293 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2ccc(C)[nH]c2=O)CC1 ZINC000744943782 660581134 /nfs/dbraw/zinc/58/11/34/660581134.db2.gz KFQRSTGZOOAFEL-UHFFFAOYSA-N -1 0 357.388 -0.045 20 0 FBADRM CC(C)(C)C(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000744951951 660581524 /nfs/dbraw/zinc/58/15/24/660581524.db2.gz GJFMLRQRYQIJIH-UHFFFAOYSA-N -1 0 370.431 -0.178 20 0 FBADRM COc1cc(C(=O)OCc2nnnn2C)cc([N-]S(C)(=O)=O)c1OC ZINC000745538183 660585198 /nfs/dbraw/zinc/58/51/98/660585198.db2.gz VOCRVKWECRGDPE-UHFFFAOYSA-N -1 0 371.375 -0.044 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)c(F)c1 ZINC000745964311 660587831 /nfs/dbraw/zinc/58/78/31/660587831.db2.gz JYLONEXKBOYZKA-UHFFFAOYSA-N -1 0 355.347 -0.350 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cn(CC(=O)N(C)C)nn2)c(F)c1 ZINC000745966128 660587813 /nfs/dbraw/zinc/58/78/13/660587813.db2.gz GEJCBHJAWREMKL-UHFFFAOYSA-N -1 0 369.378 -0.067 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)c(F)c1 ZINC000745966638 660587828 /nfs/dbraw/zinc/58/78/28/660587828.db2.gz QMYMFEFJDDCYBD-UHFFFAOYSA-N -1 0 355.347 -0.500 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2ccc(C)cc2F)C(=O)C1=O ZINC000745967051 660587804 /nfs/dbraw/zinc/58/78/04/660587804.db2.gz APQGWRXECPHZND-UHFFFAOYSA-N -1 0 371.390 -0.370 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CN2CCCS2(=O)=O)c(F)c1 ZINC000745967118 660587827 /nfs/dbraw/zinc/58/78/27/660587827.db2.gz FYOJTPJWGASLJW-UHFFFAOYSA-N -1 0 350.393 -0.025 20 0 FBADRM O=C(NN1CC(=O)NC1=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000745990773 660587840 /nfs/dbraw/zinc/58/78/40/660587840.db2.gz IPTPYNKRTRRMMX-UHFFFAOYSA-N -1 0 368.371 -0.627 20 0 FBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000746012587 660588206 /nfs/dbraw/zinc/58/82/06/660588206.db2.gz OHTVRLFLXKHPQC-UHFFFAOYSA-N -1 0 352.376 -0.943 20 0 FBADRM O=C(NCCCc1n[nH]c(=O)[n-]1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000746012999 660588229 /nfs/dbraw/zinc/58/82/29/660588229.db2.gz YXVAFQPOSVERMC-UHFFFAOYSA-N -1 0 352.376 -0.943 20 0 FBADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)c3nnc[nH]3)ncnc1-2 ZINC000746161162 660588759 /nfs/dbraw/zinc/58/87/59/660588759.db2.gz BQAPQDLBZDXJFD-UHFFFAOYSA-N -1 0 366.183 -0.541 20 0 FBADRM CCn1c(=O)c2ccc(C(=O)NCC(=O)NCCO)cc2[n-]c1=S ZINC000746225107 660589015 /nfs/dbraw/zinc/58/90/15/660589015.db2.gz AMRXEQFRUNCQND-UHFFFAOYSA-N -1 0 350.400 -0.457 20 0 FBADRM Cc1cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc(S(N)(=O)=O)c1C ZINC000746236393 660589365 /nfs/dbraw/zinc/58/93/65/660589365.db2.gz HIVBKTYXICPINS-LLVKDONJSA-N -1 0 366.403 -0.322 20 0 FBADRM Cc1cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc(S(N)(=O)=O)c1C ZINC000746236394 660589371 /nfs/dbraw/zinc/58/93/71/660589371.db2.gz HIVBKTYXICPINS-NSHDSACASA-N -1 0 366.403 -0.322 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000746242977 660589722 /nfs/dbraw/zinc/58/97/22/660589722.db2.gz BMJOPXUUVIQYPR-UHFFFAOYSA-N -1 0 355.376 -0.586 20 0 FBADRM Cc1nsc(N2CCN(C(=O)Cn3[n-]cc4c(=O)ncnc3-4)CC2)n1 ZINC000746303770 660590310 /nfs/dbraw/zinc/59/03/10/660590310.db2.gz VLVOYXFYVIMIBI-UHFFFAOYSA-N -1 0 360.403 -0.420 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)NCCc2ccc(C(=O)[O-])cc2)cn1 ZINC000746357007 660590785 /nfs/dbraw/zinc/59/07/85/660590785.db2.gz QMKXMAKUWJWGTR-UHFFFAOYSA-N -1 0 366.399 -0.245 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc(CC(=O)[O-])cc2)cn1 ZINC000746361503 660590795 /nfs/dbraw/zinc/59/07/95/660590795.db2.gz JFSFVNKYDMBQAU-UHFFFAOYSA-N -1 0 352.372 -0.036 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)NC2(C(=O)[O-])CCCCCC2)cn1 ZINC000746365133 660590765 /nfs/dbraw/zinc/59/07/65/660590765.db2.gz FGCUOUOJFYJVIV-UHFFFAOYSA-N -1 0 358.420 -0.008 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)Nc2cccc(OCC(=O)[O-])c2)cn1 ZINC000746372708 660590897 /nfs/dbraw/zinc/59/08/97/660590897.db2.gz PHEXWCFYFXVIFT-UHFFFAOYSA-N -1 0 368.371 -0.200 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc(OCC(=O)[O-])cc2)cn1 ZINC000746373711 660590902 /nfs/dbraw/zinc/59/09/02/660590902.db2.gz DBRSJLBJOFAVPB-UHFFFAOYSA-N -1 0 368.371 -0.200 20 0 FBADRM CN1N=C(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)[O-])c2)CCC1=O ZINC000746374835 660590862 /nfs/dbraw/zinc/59/08/62/660590862.db2.gz KDIRXTARFHTQSY-UHFFFAOYSA-N -1 0 368.371 -0.404 20 0 FBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000746417055 660591428 /nfs/dbraw/zinc/59/14/28/660591428.db2.gz QQDQHECHFSZPJT-UHFFFAOYSA-N -1 0 358.376 -0.642 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(N)=O)c2)s1 ZINC000746428041 660591446 /nfs/dbraw/zinc/59/14/46/660591446.db2.gz CZZCKXPUAVXFBV-UHFFFAOYSA-N -1 0 370.412 -0.070 20 0 FBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000746429163 660591430 /nfs/dbraw/zinc/59/14/30/660591430.db2.gz UWJRJSRHDVHXKW-UHFFFAOYSA-N -1 0 363.417 -0.113 20 0 FBADRM Cc1cc(S(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)c(C)s1 ZINC000746430785 660591414 /nfs/dbraw/zinc/59/14/14/660591414.db2.gz VJKYQVZZMONVNX-UHFFFAOYSA-N -1 0 357.413 -0.270 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2cc(C)sc2C)C(=O)C1=O ZINC000746432574 660591431 /nfs/dbraw/zinc/59/14/31/660591431.db2.gz STBQFSCZTSPCBH-UHFFFAOYSA-N -1 0 373.456 -0.139 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)[C@]23CCC(=O)N2CCS3)c1Cl ZINC000746434006 660591439 /nfs/dbraw/zinc/59/14/39/660591439.db2.gz AHMBLFXKHIJMSV-LLVKDONJSA-N -1 0 364.836 -0.056 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@]23CCC(=O)N2CCS3)c1Cl ZINC000746434007 660591420 /nfs/dbraw/zinc/59/14/20/660591420.db2.gz AHMBLFXKHIJMSV-NSHDSACASA-N -1 0 364.836 -0.056 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)CCCN2C(=O)CCC2=O)c1Cl ZINC000746434319 660591402 /nfs/dbraw/zinc/59/14/02/660591402.db2.gz DASCSPVZWDZJGE-UHFFFAOYSA-N -1 0 362.795 -0.192 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)CCN2CCCS2(=O)=O)c1Cl ZINC000746434320 660591435 /nfs/dbraw/zinc/59/14/35/660591435.db2.gz AUCHDBSEBOVEMG-UHFFFAOYSA-N -1 0 370.840 -0.696 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2S(C)(=O)=O)c1Cl ZINC000746434591 660591417 /nfs/dbraw/zinc/59/14/17/660591417.db2.gz LGGCCEWAGVTZBW-ZETCQYMHSA-N -1 0 370.840 -0.698 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)CCC(=O)N2CCOCC2)c1Cl ZINC000746435186 660591447 /nfs/dbraw/zinc/59/14/47/660591447.db2.gz UKKLXIJOMIGZLR-UHFFFAOYSA-N -1 0 364.811 -0.483 20 0 FBADRM Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)C2CCCCC2)c(=O)n(C)c1=O ZINC000746444276 660591432 /nfs/dbraw/zinc/59/14/32/660591432.db2.gz RGGKGSQRZOSBBZ-HJWRWDBZSA-N -1 0 355.416 -0.124 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)CC2CCCCC2)C(=O)C1=O ZINC000746453448 660591766 /nfs/dbraw/zinc/59/17/66/660591766.db2.gz NHMNJHXTOZBUJR-UHFFFAOYSA-N -1 0 359.448 -0.297 20 0 FBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000746458200 660591712 /nfs/dbraw/zinc/59/17/12/660591712.db2.gz ZZDKHSQKIDYNJL-UHFFFAOYSA-N -1 0 351.793 -0.163 20 0 FBADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)c1=O ZINC000746459198 660591704 /nfs/dbraw/zinc/59/17/04/660591704.db2.gz NPXOYYWROVFAPR-UHFFFAOYSA-N -1 0 372.790 -0.758 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)c(=O)[nH]c1=O ZINC000746462707 660591666 /nfs/dbraw/zinc/59/16/66/660591666.db2.gz LAPHBRBSAFMFOE-UHFFFAOYSA-N -1 0 358.763 -0.206 20 0 FBADRM COc1cccc(S(=O)(=O)[N-]C(=O)CCCN2C(=O)CNC2=O)c1 ZINC000746464455 660591654 /nfs/dbraw/zinc/59/16/54/660591654.db2.gz KBRCYPUMWGETFA-UHFFFAOYSA-N -1 0 355.372 -0.168 20 0 FBADRM COc1cccc(S(=O)(=O)[N-]C(=O)CCN2CCCS2(=O)=O)c1 ZINC000746466886 660591681 /nfs/dbraw/zinc/59/16/81/660591681.db2.gz AIQOCUGVZUPJAY-UHFFFAOYSA-N -1 0 362.429 -0.074 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)[nH]c2=O)c1 ZINC000746478067 660592012 /nfs/dbraw/zinc/59/20/12/660592012.db2.gz ZHMSIKPFBWLTGF-UHFFFAOYSA-N -1 0 367.339 -0.609 20 0 FBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NCCN1C(=O)CCC1=O ZINC000746690304 660593077 /nfs/dbraw/zinc/59/30/77/660593077.db2.gz ZGPLHKYYKUCIMW-UHFFFAOYSA-N -1 0 360.395 -0.050 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000746692636 660593036 /nfs/dbraw/zinc/59/30/36/660593036.db2.gz WFIAZBWOUGCYSP-UHFFFAOYSA-N -1 0 370.456 -0.259 20 0 FBADRM COC(=O)c1ccsc1N1CC[C@@H](NC(=O)c2cc(=O)[nH][n-]2)C1=O ZINC000746701447 660593067 /nfs/dbraw/zinc/59/30/67/660593067.db2.gz LFFCWNTZRRCCAW-MRVPVSSYSA-N -1 0 350.356 -0.368 20 0 FBADRM COC(=O)c1ccsc1N1CC[C@H](NC(=O)c2cc(=O)[nH][n-]2)C1=O ZINC000746701448 660593057 /nfs/dbraw/zinc/59/30/57/660593057.db2.gz LFFCWNTZRRCCAW-QMMMGPOBSA-N -1 0 350.356 -0.368 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000747119943 660595044 /nfs/dbraw/zinc/59/50/44/660595044.db2.gz FDZXADVYRIJICZ-UHFFFAOYSA-N -1 0 355.434 -0.400 20 0 FBADRM O=C([N-]S(=O)(=O)CCCF)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000747129385 660595070 /nfs/dbraw/zinc/59/50/70/660595070.db2.gz FLFVJHBIYJEHHX-UHFFFAOYSA-N -1 0 351.381 -0.710 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)CCCF)S(=O)(=O)c1cccnc1 ZINC000747130427 658933507 /nfs/dbraw/zinc/93/35/07/658933507.db2.gz IOSHOMXSSZJSRT-UHFFFAOYSA-N -1 0 353.397 -0.492 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)cc1Cl ZINC000747131581 660595078 /nfs/dbraw/zinc/59/50/78/660595078.db2.gz WROWEXIOERDLPE-UHFFFAOYSA-N -1 0 357.779 -0.156 20 0 FBADRM Cn1c(=O)c2cc(C(=O)[N-]S(=O)(=O)CCCF)cnc2n(C)c1=O ZINC000747133384 660595065 /nfs/dbraw/zinc/59/50/65/660595065.db2.gz SXRQWSWXJZZEIR-UHFFFAOYSA-N -1 0 358.351 -0.949 20 0 FBADRM NC(=O)[C@H]1CC(C(=O)[N-]S(=O)(=O)CCCF)=NN1c1ccccc1 ZINC000747133827 660595055 /nfs/dbraw/zinc/59/50/55/660595055.db2.gz JEDBYOJKHLPTEO-GFCCVEGCSA-N -1 0 356.379 -0.088 20 0 FBADRM NC(=O)[C@@H]1CC(C(=O)[N-]S(=O)(=O)CCCF)=NN1c1ccccc1 ZINC000747133828 660595062 /nfs/dbraw/zinc/59/50/62/660595062.db2.gz JEDBYOJKHLPTEO-LBPRGKRZSA-N -1 0 356.379 -0.088 20 0 FBADRM Cc1cc(C(=O)[N-]S(=O)(=O)CCCF)nc2c1c(=O)n(C)c(=O)n2C ZINC000747133841 660595071 /nfs/dbraw/zinc/59/50/71/660595071.db2.gz KBKOBBOSSNPPDL-UHFFFAOYSA-N -1 0 372.378 -0.640 20 0 FBADRM CCn1c(=O)c2ccccc2n(CC(=O)[N-]S(=O)(=O)CCCF)c1=O ZINC000747133853 660595041 /nfs/dbraw/zinc/59/50/41/660595041.db2.gz KCQITAPIRYTQGJ-UHFFFAOYSA-N -1 0 371.390 -0.011 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCCF)cc1 ZINC000747134611 660595063 /nfs/dbraw/zinc/59/50/63/660595063.db2.gz XRGADRSHZNFQAN-UHFFFAOYSA-N -1 0 366.392 -0.635 20 0 FBADRM O=C(CN1C(=O)c2ccccc2S1(=O)=O)[N-]S(=O)(=O)CCCF ZINC000747137327 660595045 /nfs/dbraw/zinc/59/50/45/660595045.db2.gz DHRAUGMHZYCHJA-UHFFFAOYSA-N -1 0 364.376 -0.363 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)CCCF)nc2n(C)c1=O ZINC000747139363 660595038 /nfs/dbraw/zinc/59/50/38/660595038.db2.gz QRSVSRRQKRPIIR-UHFFFAOYSA-N -1 0 358.351 -0.949 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000747178341 658935790 /nfs/dbraw/zinc/93/57/90/658935790.db2.gz GKZPOQVFCVKSGG-JTQLQIEISA-N -1 0 351.406 -0.565 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000747178342 658935843 /nfs/dbraw/zinc/93/58/43/658935843.db2.gz GKZPOQVFCVKSGG-SNVBAGLBSA-N -1 0 351.406 -0.565 20 0 FBADRM O=C(CCN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000747179090 660595339 /nfs/dbraw/zinc/59/53/39/660595339.db2.gz NEPYCYAFXSUKMG-UHFFFAOYSA-N -1 0 370.387 -0.125 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1ccon1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000747180281 660595336 /nfs/dbraw/zinc/59/53/36/660595336.db2.gz YGZQPFCCDBWINQ-UHFFFAOYSA-N -1 0 372.384 -0.882 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccon2)C1 ZINC000747180320 660595343 /nfs/dbraw/zinc/59/53/43/660595343.db2.gz ZSTYFVVKKSQFLE-JTQLQIEISA-N -1 0 365.433 -0.318 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccon2)C1 ZINC000747180321 660595280 /nfs/dbraw/zinc/59/52/80/660595280.db2.gz ZSTYFVVKKSQFLE-SNVBAGLBSA-N -1 0 365.433 -0.318 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccon2)o1 ZINC000747182053 660595341 /nfs/dbraw/zinc/59/53/41/660595341.db2.gz DNGYJRJBSIZOGC-UHFFFAOYSA-N -1 0 363.373 -0.222 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)Cc2ccon2)C1=O ZINC000747182115 660595312 /nfs/dbraw/zinc/59/53/12/660595312.db2.gz GFGRDDLKIKWEOC-CYBMUJFWSA-N -1 0 356.360 -0.659 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)Cc2ccon2)C1=O ZINC000747182117 660595299 /nfs/dbraw/zinc/59/52/99/660595299.db2.gz GFGRDDLKIKWEOC-ZDUSSCGKSA-N -1 0 356.360 -0.659 20 0 FBADRM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000747182269 660595296 /nfs/dbraw/zinc/59/52/96/660595296.db2.gz ZXHABEABYQXZLF-UHFFFAOYSA-N -1 0 364.339 -0.264 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)Cc1ccon1)S(=O)(=O)c1ccccc1 ZINC000747182714 660595329 /nfs/dbraw/zinc/59/53/29/660595329.db2.gz PHUZOIPXVNTGMW-UHFFFAOYSA-N -1 0 373.412 -0.059 20 0 FBADRM Cn1c2ccccc2n(CC(=O)[N-]S(=O)(=O)Cc2ccon2)c1=O ZINC000747182734 660595249 /nfs/dbraw/zinc/59/52/49/660595249.db2.gz PXTTYOBGHITQCR-UHFFFAOYSA-N -1 0 350.356 -0.026 20 0 FBADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000747183063 660595492 /nfs/dbraw/zinc/59/54/92/660595492.db2.gz NXTWWARKTRKOPM-UHFFFAOYSA-N -1 0 370.387 -0.125 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000747183344 660595591 /nfs/dbraw/zinc/59/55/91/660595591.db2.gz CAVKCOFRBHMWHG-GHMZBOCLSA-N -1 0 355.372 -0.204 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000747183345 660595522 /nfs/dbraw/zinc/59/55/22/660595522.db2.gz CAVKCOFRBHMWHG-PHIMTYICSA-N -1 0 355.372 -0.204 20 0 FBADRM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000747183346 660595506 /nfs/dbraw/zinc/59/55/06/660595506.db2.gz CAVKCOFRBHMWHG-QWRGUYRKSA-N -1 0 355.372 -0.204 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)Cc2ccon2)C1=O ZINC000747183622 660595603 /nfs/dbraw/zinc/59/56/03/660595603.db2.gz LYOABDMSJRYHDG-UHFFFAOYSA-N -1 0 358.376 -0.269 20 0 FBADRM O=C(CCn1nnc2ccccc2c1=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000747184551 660595547 /nfs/dbraw/zinc/59/55/47/660595547.db2.gz LXDZPSYSWCCOGR-UHFFFAOYSA-N -1 0 363.355 -0.184 20 0 FBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000747185598 660595495 /nfs/dbraw/zinc/59/54/95/660595495.db2.gz SNRUKCHQVWWPRR-UHFFFAOYSA-N -1 0 356.360 -0.515 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccon1)N1C(=O)NC2(CCCC2)C1=O ZINC000747185601 660595520 /nfs/dbraw/zinc/59/55/20/660595520.db2.gz SRLQWHJCDFGDQZ-SECBINFHSA-N -1 0 370.387 -0.126 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccon1)N1C(=O)NC2(CCCC2)C1=O ZINC000747185604 660595549 /nfs/dbraw/zinc/59/55/49/660595549.db2.gz SRLQWHJCDFGDQZ-VIFPVBQESA-N -1 0 370.387 -0.126 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)[N-]S(=O)(=O)Cc2ccon2)c1 ZINC000747185887 660595509 /nfs/dbraw/zinc/59/55/09/660595509.db2.gz YQSINNLXKCVNCF-UHFFFAOYSA-N -1 0 362.389 -0.487 20 0 FBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)o1 ZINC000747196326 660595532 /nfs/dbraw/zinc/59/55/32/660595532.db2.gz FQFVXOXIMRBBDA-UHFFFAOYSA-N -1 0 362.327 -0.527 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)o1 ZINC000747198334 660595528 /nfs/dbraw/zinc/59/55/28/660595528.db2.gz RQIHOKZVMVEPPX-UHFFFAOYSA-N -1 0 366.355 -0.406 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)o2)c1 ZINC000747212920 660595524 /nfs/dbraw/zinc/59/55/24/660595524.db2.gz NGXRTJVWVTYHFJ-UHFFFAOYSA-N -1 0 372.380 -0.099 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)o2)CC1 ZINC000747219435 660595551 /nfs/dbraw/zinc/59/55/51/660595551.db2.gz OWVRWZLUIUDEFR-UHFFFAOYSA-N -1 0 359.360 -0.762 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)o1 ZINC000747232175 660595930 /nfs/dbraw/zinc/59/59/30/660595930.db2.gz WMRXMBGJEXQKJJ-MRVPVSSYSA-N -1 0 359.360 -0.619 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)o1 ZINC000747232176 660595898 /nfs/dbraw/zinc/59/58/98/660595898.db2.gz WMRXMBGJEXQKJJ-QMMMGPOBSA-N -1 0 359.360 -0.619 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)o2)cc1C(N)=O ZINC000747232730 660595878 /nfs/dbraw/zinc/59/58/78/660595878.db2.gz CKJBTBIKPNHIIF-UHFFFAOYSA-N -1 0 351.340 -0.095 20 0 FBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)o1 ZINC000747233409 660595883 /nfs/dbraw/zinc/59/58/83/660595883.db2.gz RWSMDGVFZOJLLU-UHFFFAOYSA-N -1 0 363.351 -0.217 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)o2)cc1 ZINC000747233759 660595869 /nfs/dbraw/zinc/59/58/69/660595869.db2.gz UROIGZJSEMQMDU-UHFFFAOYSA-N -1 0 372.380 -0.099 20 0 FBADRM CCOC(=O)N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000747336263 660596530 /nfs/dbraw/zinc/59/65/30/660596530.db2.gz DSKARLAKUSLAAN-UHFFFAOYSA-N -1 0 357.388 -0.046 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCCN2C(=O)CSC2=O)c1 ZINC000747339931 660596550 /nfs/dbraw/zinc/59/65/50/660596550.db2.gz YZVUECXZAYIZSX-UHFFFAOYSA-N -1 0 359.385 -0.535 20 0 FBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000747470308 660597168 /nfs/dbraw/zinc/59/71/68/660597168.db2.gz LHMHGFXHMKMSJN-GFCCVEGCSA-N -1 0 361.387 -0.295 20 0 FBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000747470309 660597209 /nfs/dbraw/zinc/59/72/09/660597209.db2.gz LHMHGFXHMKMSJN-LBPRGKRZSA-N -1 0 361.387 -0.295 20 0 FBADRM O=C(CN1CCS(=O)(=O)CC1)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000747473552 660597172 /nfs/dbraw/zinc/59/71/72/660597172.db2.gz HGFBWAYVGCYLCT-CYBMUJFWSA-N -1 0 350.404 -0.864 20 0 FBADRM O=C(CN1CCS(=O)(=O)CC1)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000747473553 660597205 /nfs/dbraw/zinc/59/72/05/660597205.db2.gz HGFBWAYVGCYLCT-ZDUSSCGKSA-N -1 0 350.404 -0.864 20 0 FBADRM O=C(CCN1CCCS1(=O)=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000747474111 660597162 /nfs/dbraw/zinc/59/71/62/660597162.db2.gz PUFYFGMXZFCYFQ-CYBMUJFWSA-N -1 0 350.404 -0.169 20 0 FBADRM O=C(CCN1CCCS1(=O)=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000747474112 660597147 /nfs/dbraw/zinc/59/71/47/660597147.db2.gz PUFYFGMXZFCYFQ-ZDUSSCGKSA-N -1 0 350.404 -0.169 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cnc3c(cnn3C)c2)cc1C(N)=O ZINC000747479735 660597186 /nfs/dbraw/zinc/59/71/86/660597186.db2.gz MNJRTGHXUGYYGH-UHFFFAOYSA-N -1 0 362.371 -0.476 20 0 FBADRM COC(=O)/C=C\c1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000747595693 601211862 /nfs/dbraw/zinc/21/18/62/601211862.db2.gz FCRQVZFLTCMRGO-DAXSKMNVSA-N -1 0 356.356 -0.648 20 0 FBADRM COC(=O)/C=C/c1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000747595694 601211770 /nfs/dbraw/zinc/21/17/70/601211770.db2.gz FCRQVZFLTCMRGO-QPJJXVBHSA-N -1 0 356.356 -0.648 20 0 FBADRM O=C(Cc1csc(N2CCCC2=O)n1)[N-]S(=O)(=O)N1CCOCC1 ZINC000747745575 660598979 /nfs/dbraw/zinc/59/89/79/660598979.db2.gz AJPQNDBLGZWASB-UHFFFAOYSA-N -1 0 374.444 -0.494 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cc2c1OCCO2 ZINC000747745578 660598962 /nfs/dbraw/zinc/59/89/62/660598962.db2.gz ANCAWEONUTXRDD-UHFFFAOYSA-N -1 0 358.372 -0.227 20 0 FBADRM CS(=O)(=O)Cc1cccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c1 ZINC000747745601 660598976 /nfs/dbraw/zinc/59/89/76/660598976.db2.gz BIPMKTVDUSAQPJ-UHFFFAOYSA-N -1 0 362.429 -0.462 20 0 FBADRM Cc1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)ccc1-n1cncn1 ZINC000747745985 660598919 /nfs/dbraw/zinc/59/89/19/660598919.db2.gz GWKOPNXFSXGZJN-UHFFFAOYSA-N -1 0 351.388 -0.117 20 0 FBADRM COc1ccc2c(c1)OC[C@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)C2 ZINC000747745988 660598922 /nfs/dbraw/zinc/59/89/22/660598922.db2.gz HARHTPUUBQSVDK-GFCCVEGCSA-N -1 0 356.400 -0.061 20 0 FBADRM COc1ccc2c(c1)OC[C@@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)C2 ZINC000747745989 660598971 /nfs/dbraw/zinc/59/89/71/660598971.db2.gz HARHTPUUBQSVDK-LBPRGKRZSA-N -1 0 356.400 -0.061 20 0 FBADRM Cc1cc(-n2cncn2)ccc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747746013 660598981 /nfs/dbraw/zinc/59/89/81/660598981.db2.gz HOTVQBLSJZVCOB-UHFFFAOYSA-N -1 0 351.388 -0.117 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cn(Cc2ccccc2)nn1 ZINC000747746028 660598943 /nfs/dbraw/zinc/59/89/43/660598943.db2.gz ISJYUVBVDSXJDW-UHFFFAOYSA-N -1 0 351.388 -0.367 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cnn(-c2ccc(F)cc2)n1 ZINC000747746031 660598957 /nfs/dbraw/zinc/59/89/57/660598957.db2.gz IXAUXFVCJHIDRM-UHFFFAOYSA-N -1 0 355.351 -0.287 20 0 FBADRM COc1ccc2c(c1)C[C@@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)CO2 ZINC000747746047 660598883 /nfs/dbraw/zinc/59/88/83/660598883.db2.gz JRDFZRULCXXFGM-GFCCVEGCSA-N -1 0 356.400 -0.061 20 0 FBADRM COc1ccc2c(c1)C[C@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)CO2 ZINC000747746048 660598960 /nfs/dbraw/zinc/59/89/60/660598960.db2.gz JRDFZRULCXXFGM-LBPRGKRZSA-N -1 0 356.400 -0.061 20 0 FBADRM Cc1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)ccc1N1CCNC1=O ZINC000747746723 660598951 /nfs/dbraw/zinc/59/89/51/660598951.db2.gz MJGSXVQWIVYVMR-UHFFFAOYSA-N -1 0 368.415 -0.169 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cccc(N2CCOC2=O)c1 ZINC000747746738 660598912 /nfs/dbraw/zinc/59/89/12/660598912.db2.gz MQTTYKHKFUVYFY-UHFFFAOYSA-N -1 0 355.372 -0.050 20 0 FBADRM C[C@H](CC(=O)[N-]S(=O)(=O)N1CCOCC1)NC(=O)c1ccccc1 ZINC000747747165 660598933 /nfs/dbraw/zinc/59/89/33/660598933.db2.gz OGZYJBYRJWESSD-GFCCVEGCSA-N -1 0 355.416 -0.112 20 0 FBADRM C[C@@H](CC(=O)[N-]S(=O)(=O)N1CCOCC1)NC(=O)c1ccccc1 ZINC000747747167 660598938 /nfs/dbraw/zinc/59/89/38/660598938.db2.gz OGZYJBYRJWESSD-LBPRGKRZSA-N -1 0 355.416 -0.112 20 0 FBADRM O=C(Cc1csc(-c2nc[nH]n2)n1)[N-]S(=O)(=O)N1CCOCC1 ZINC000747747201 660598902 /nfs/dbraw/zinc/59/89/02/660598902.db2.gz PCVULABZESNXDF-UHFFFAOYSA-N -1 0 358.405 -0.836 20 0 FBADRM Cn1cc(-c2ncc(C(=O)[N-]S(=O)(=O)N3CCOCC3)s2)cn1 ZINC000747747214 660598954 /nfs/dbraw/zinc/59/89/54/660598954.db2.gz PLFCDWYRZKCMNN-UHFFFAOYSA-N -1 0 357.417 -0.150 20 0 FBADRM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747747254 660598926 /nfs/dbraw/zinc/59/89/26/660598926.db2.gz QGCWTNANBAOJIE-CYBMUJFWSA-N -1 0 370.431 -0.471 20 0 FBADRM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747747259 660598915 /nfs/dbraw/zinc/59/89/15/660598915.db2.gz QGCWTNANBAOJIE-ZDUSSCGKSA-N -1 0 370.431 -0.471 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000747747763 660598927 /nfs/dbraw/zinc/59/89/27/660598927.db2.gz VNUFFERQTUUWIS-GFCCVEGCSA-N -1 0 353.400 -0.267 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000747747764 660598916 /nfs/dbraw/zinc/59/89/16/660598916.db2.gz VNUFFERQTUUWIS-LBPRGKRZSA-N -1 0 353.400 -0.267 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccc(Cn2cncn2)cc1 ZINC000747748133 660598966 /nfs/dbraw/zinc/59/89/66/660598966.db2.gz WYKANWYDDMFMSK-UHFFFAOYSA-N -1 0 351.388 -0.367 20 0 FBADRM O=C(CCN1C(=O)COc2ccccc21)[N-]S(=O)(=O)N1CCOCC1 ZINC000747748225 660598907 /nfs/dbraw/zinc/59/89/07/660598907.db2.gz YAEXKEJSLGLJEO-UHFFFAOYSA-N -1 0 369.399 -0.505 20 0 FBADRM CS(=O)(=O)Cc1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cc1 ZINC000747748266 658940057 /nfs/dbraw/zinc/94/00/57/658940057.db2.gz ZIGYIPBOGLNLNE-UHFFFAOYSA-N -1 0 362.429 -0.462 20 0 FBADRM CC(C)(C)OC(=O)NCCCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747750718 658940375 /nfs/dbraw/zinc/94/03/75/658940375.db2.gz AEMOJQSTPLRZTM-UHFFFAOYSA-N -1 0 351.425 -0.016 20 0 FBADRM O=C(CCNC(=O)OCC(F)(F)F)[N-]S(=O)(=O)N1CCOCC1 ZINC000747750907 660598936 /nfs/dbraw/zinc/59/89/36/660598936.db2.gz BPGXRCBHMJBHCS-UHFFFAOYSA-N -1 0 363.314 -0.642 20 0 FBADRM O=C(CN1C(=O)CSc2ccccc21)[N-]S(=O)(=O)N1CCOCC1 ZINC000747751311 660598918 /nfs/dbraw/zinc/59/89/18/660598918.db2.gz FUBUMJOZUWPMQI-UHFFFAOYSA-N -1 0 371.440 -0.182 20 0 FBADRM O=C(CCNC(=O)Cc1ccccc1)[N-]S(=O)(=O)N1CCOCC1 ZINC000747751346 660598984 /nfs/dbraw/zinc/59/89/84/660598984.db2.gz HIXFVWJSKNLDTE-UHFFFAOYSA-N -1 0 355.416 -0.571 20 0 FBADRM Cc1cccc2c(=O)n(CC(=O)[N-]S(=O)(=O)N3CCOCC3)cnc12 ZINC000747751360 660599275 /nfs/dbraw/zinc/59/92/75/660599275.db2.gz HTPVYYZBXRZWEN-UHFFFAOYSA-N -1 0 366.399 -0.602 20 0 FBADRM O=C(CCc1nc(-c2ncccn2)no1)[N-]S(=O)(=O)N1CCOCC1 ZINC000747751390 660599255 /nfs/dbraw/zinc/59/92/55/660599255.db2.gz ILAORMMHPLCHBZ-UHFFFAOYSA-N -1 0 368.375 -0.848 20 0 FBADRM NC(=O)CSc1ccccc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747751398 660599185 /nfs/dbraw/zinc/59/91/85/660599185.db2.gz IWQPOMFJBTXYGP-UHFFFAOYSA-N -1 0 359.429 -0.429 20 0 FBADRM C[C@@H](Sc1nnnn1C1CC1)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747751409 660599206 /nfs/dbraw/zinc/59/92/06/660599206.db2.gz JEGRZYOYNRGSMS-MRVPVSSYSA-N -1 0 362.437 -0.818 20 0 FBADRM C[C@H](Sc1nnnn1C1CC1)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747751413 660599179 /nfs/dbraw/zinc/59/91/79/660599179.db2.gz JEGRZYOYNRGSMS-QMMMGPOBSA-N -1 0 362.437 -0.818 20 0 FBADRM COc1cc(CC(=O)[N-]S(=O)(=O)N2CCOCC2)cc(OC)c1OC ZINC000747751475 660599266 /nfs/dbraw/zinc/59/92/66/660599266.db2.gz JLBIVLCXDJOPTM-UHFFFAOYSA-N -1 0 374.415 -0.052 20 0 FBADRM O=C(CCS(=O)(=O)C1CCCC1)[N-]S(=O)(=O)N1CCOCC1 ZINC000747751870 660599224 /nfs/dbraw/zinc/59/92/24/660599224.db2.gz LXJUAFJEIXUEKU-UHFFFAOYSA-N -1 0 354.450 -0.573 20 0 FBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)[N-]S(=O)(=O)N1CCOCC1)C2=O ZINC000747751910 660599258 /nfs/dbraw/zinc/59/92/58/660599258.db2.gz MIYTZDMWNPAUFN-UHFFFAOYSA-N -1 0 367.383 -0.716 20 0 FBADRM O=C(Cn1c(=O)cnc2ccccc21)[N-]S(=O)(=O)N1CCOCC1 ZINC000747751941 660599270 /nfs/dbraw/zinc/59/92/70/660599270.db2.gz MXNNTTGMNICLFK-UHFFFAOYSA-N -1 0 352.372 -0.910 20 0 FBADRM O=C(CCc1nc(-c2ccoc2)no1)[N-]S(=O)(=O)N1CCOCC1 ZINC000747752015 660599204 /nfs/dbraw/zinc/59/92/04/660599204.db2.gz NMSSQMGGRLDSIN-UHFFFAOYSA-N -1 0 356.360 -0.045 20 0 FBADRM CN1C(=O)c2ccc(C(=O)[N-]S(=O)(=O)N3CCOCC3)cc2C1=O ZINC000747752343 660599174 /nfs/dbraw/zinc/59/91/74/660599174.db2.gz PQPHQIBWAPHWGO-UHFFFAOYSA-N -1 0 353.356 -0.781 20 0 FBADRM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)C1 ZINC000747752350 660599183 /nfs/dbraw/zinc/59/91/83/660599183.db2.gz QCKRUUCTWHYBKU-CHWSQXEVSA-N -1 0 361.464 -0.036 20 0 FBADRM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)C1 ZINC000747752351 660599219 /nfs/dbraw/zinc/59/92/19/660599219.db2.gz QCKRUUCTWHYBKU-OLZOCXBDSA-N -1 0 361.464 -0.036 20 0 FBADRM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)C1 ZINC000747752352 660599253 /nfs/dbraw/zinc/59/92/53/660599253.db2.gz QCKRUUCTWHYBKU-QWHCGFSZSA-N -1 0 361.464 -0.036 20 0 FBADRM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)C1 ZINC000747752353 660599202 /nfs/dbraw/zinc/59/92/02/660599202.db2.gz QCKRUUCTWHYBKU-STQMWFEESA-N -1 0 361.464 -0.036 20 0 FBADRM O=C(CCn1cnc2ccccc2c1=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747752374 660599273 /nfs/dbraw/zinc/59/92/73/660599273.db2.gz RCHVSGPIGNPUOM-UHFFFAOYSA-N -1 0 366.399 -0.520 20 0 FBADRM O=C(CCN1C(=O)c2ccccc2C1=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747752449 660599238 /nfs/dbraw/zinc/59/92/38/660599238.db2.gz VBALMZKIWPESGF-UHFFFAOYSA-N -1 0 367.383 -0.634 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747752492 660599251 /nfs/dbraw/zinc/59/92/51/660599251.db2.gz WOXJQLJBZVIGCE-UHFFFAOYSA-N -1 0 362.429 -0.295 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)C1CCN(c2cnccn2)CC1 ZINC000747752559 660599276 /nfs/dbraw/zinc/59/92/76/660599276.db2.gz ZJPFXCNANLUIEX-UHFFFAOYSA-N -1 0 355.420 -0.614 20 0 FBADRM COC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cc1 ZINC000747756607 660599177 /nfs/dbraw/zinc/59/91/77/660599177.db2.gz BHIFJWKJESVHFP-UHFFFAOYSA-N -1 0 358.372 -0.455 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccccc1Cn1cncn1 ZINC000747756718 660599222 /nfs/dbraw/zinc/59/92/22/660599222.db2.gz CONHTTRVKBUGII-UHFFFAOYSA-N -1 0 351.388 -0.367 20 0 FBADRM Cc1cccc(-n2cc(C(=O)[N-]S(=O)(=O)N3CCOCC3)nn2)c1 ZINC000747756735 660599165 /nfs/dbraw/zinc/59/91/65/660599165.db2.gz CVDUDQPXNGUBKK-UHFFFAOYSA-N -1 0 351.388 -0.117 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1csc(-c2cnccn2)n1 ZINC000747756780 660599188 /nfs/dbraw/zinc/59/91/88/660599188.db2.gz DLQNCLJXBNKKTO-UHFFFAOYSA-N -1 0 355.401 -0.093 20 0 FBADRM O=C(COc1ccc2c(c1)CCC(=O)N2)[N-]S(=O)(=O)N1CCOCC1 ZINC000747756888 660599162 /nfs/dbraw/zinc/59/91/62/660599162.db2.gz FGMIQXROFDIGOW-UHFFFAOYSA-N -1 0 369.399 -0.357 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccc(N2CCNC2=O)cc1 ZINC000747756965 660599193 /nfs/dbraw/zinc/59/91/93/660599193.db2.gz IJONAMRPLJYXFO-UHFFFAOYSA-N -1 0 354.388 -0.477 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)C1CCN(CC(F)(F)F)CC1 ZINC000747756983 658942038 /nfs/dbraw/zinc/94/20/38/658942038.db2.gz JHZARMDSAUGCFG-UHFFFAOYSA-N -1 0 359.370 -0.046 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cc2c([nH]c1=O)CCCC2=O ZINC000747757118 660599158 /nfs/dbraw/zinc/59/91/58/660599158.db2.gz KPKHASLFDXGDGT-UHFFFAOYSA-N -1 0 355.372 -0.387 20 0 FBADRM Cn1cc(-c2nc(C(=O)[N-]S(=O)(=O)N3CCOCC3)cs2)cn1 ZINC000747757159 660599195 /nfs/dbraw/zinc/59/91/95/660599195.db2.gz MAQJRYWCCFFEIZ-UHFFFAOYSA-N -1 0 357.417 -0.150 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cc(N2CCNC2=O)ccc1F ZINC000747757173 660599268 /nfs/dbraw/zinc/59/92/68/660599268.db2.gz MOUKQSSGRMGOID-UHFFFAOYSA-N -1 0 372.378 -0.338 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000747757187 660599240 /nfs/dbraw/zinc/59/92/40/660599240.db2.gz NBYJFYKIFMJWGT-CYBMUJFWSA-N -1 0 374.463 -0.393 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000747757188 660599191 /nfs/dbraw/zinc/59/91/91/660599191.db2.gz NBYJFYKIFMJWGT-ZDUSSCGKSA-N -1 0 374.463 -0.393 20 0 FBADRM Cc1nc2ncnn2c(C)c1CCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747757408 660599216 /nfs/dbraw/zinc/59/92/16/660599216.db2.gz OJRYPHBJFAKQLR-UHFFFAOYSA-N -1 0 368.419 -0.633 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccnc(N2CCCCC2)n1 ZINC000747757453 660599244 /nfs/dbraw/zinc/59/92/44/660599244.db2.gz QKJBGCCSBBZPPG-UHFFFAOYSA-N -1 0 355.420 -0.226 20 0 FBADRM CC(C)(C)OC(=O)CSCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747757848 660599474 /nfs/dbraw/zinc/59/94/74/660599474.db2.gz WFDNRNRXYXFKOE-UHFFFAOYSA-N -1 0 354.450 -0.246 20 0 FBADRM O=C(CCc1nc(-c2ccccn2)no1)[N-]S(=O)(=O)N1CCOCC1 ZINC000747757860 660599478 /nfs/dbraw/zinc/59/94/78/660599478.db2.gz WRCFRBMJYUKMEM-UHFFFAOYSA-N -1 0 367.387 -0.243 20 0 FBADRM Cc1ccc(CCC(=O)NCC(=O)[N-]S(=O)(=O)N2CCOCC2)cc1 ZINC000747757891 660599467 /nfs/dbraw/zinc/59/94/67/660599467.db2.gz XVCJDRFEUQEHMG-UHFFFAOYSA-N -1 0 369.443 -0.263 20 0 FBADRM CC(C)(C)OC(=O)NCCOCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000747757898 660599456 /nfs/dbraw/zinc/59/94/56/660599456.db2.gz YIMHBCNPODXOFN-UHFFFAOYSA-N -1 0 367.424 -0.779 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(F)c(C(=O)OC)c2)n1 ZINC000747858203 660599839 /nfs/dbraw/zinc/59/98/39/660599839.db2.gz DXWGXRSPFVKXKG-UHFFFAOYSA-N -1 0 371.350 -0.249 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2n[nH]c(=O)[n-]2)C(=O)C1 ZINC000748006922 660600444 /nfs/dbraw/zinc/60/04/44/660600444.db2.gz RMPIGCTWCXFDOH-UHFFFAOYSA-N -1 0 354.367 -0.794 20 0 FBADRM CC(C)N1C(=O)c2ccc(C(=O)NCc3n[nH]c(=O)[n-]3)cc2S1(=O)=O ZINC000748057165 660600742 /nfs/dbraw/zinc/60/07/42/660600742.db2.gz KXCHLYUXQYWZRX-UHFFFAOYSA-N -1 0 365.371 -0.007 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)c2n[n-]c3ccccc3c2=O)CC1 ZINC000748369892 660602987 /nfs/dbraw/zinc/60/29/87/660602987.db2.gz GREXBJSZPFDXDJ-UHFFFAOYSA-N -1 0 365.415 -0.618 20 0 FBADRM CCN1C(=O)c2ccc(C(=O)NCc3n[nH]c(=O)[n-]3)cc2S1(=O)=O ZINC000748417039 660603397 /nfs/dbraw/zinc/60/33/97/660603397.db2.gz BQPNGUDCORJRJY-UHFFFAOYSA-N -1 0 351.344 -0.395 20 0 FBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000748418349 660603305 /nfs/dbraw/zinc/60/33/05/660603305.db2.gz JBTQMNLJZNXGDR-UHFFFAOYSA-N -1 0 363.355 -0.253 20 0 FBADRM CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2n[nH]c(=O)[n-]2)n(C)c1 ZINC000748418383 660603406 /nfs/dbraw/zinc/60/34/06/660603406.db2.gz JYQMJODWAXPYPC-UHFFFAOYSA-N -1 0 356.408 -0.191 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)OCC(=O)[N-]OCc2ccccc2)c1 ZINC000748427345 660603775 /nfs/dbraw/zinc/60/37/75/660603775.db2.gz OAMIOUCMZYITNY-UHFFFAOYSA-N -1 0 368.371 -0.678 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)CCc2ccccc2)C(=O)C1=O ZINC000748494884 660604760 /nfs/dbraw/zinc/60/47/60/660604760.db2.gz ONPUNOGENVBSRP-UHFFFAOYSA-N -1 0 367.427 -0.634 20 0 FBADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)CCc2ccccc2)c1=O ZINC000748495258 660604750 /nfs/dbraw/zinc/60/47/50/660604750.db2.gz QGVXLUVYHXYOEA-UHFFFAOYSA-N -1 0 351.384 -0.764 20 0 FBADRM COC(=O)[C@@H](NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)C(C)C ZINC000748699800 660606138 /nfs/dbraw/zinc/60/61/38/660606138.db2.gz FFVNXZDPTYADHI-ZDUSSCGKSA-N -1 0 372.399 -0.023 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000748709946 660606140 /nfs/dbraw/zinc/60/61/40/660606140.db2.gz USWRNYXDSMPIBS-MRVPVSSYSA-N -1 0 362.385 -0.502 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000748709949 660606149 /nfs/dbraw/zinc/60/61/49/660606149.db2.gz USWRNYXDSMPIBS-QMMMGPOBSA-N -1 0 362.385 -0.502 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000748710067 660606163 /nfs/dbraw/zinc/60/61/63/660606163.db2.gz XKDAZYRBAWTHGY-LLVKDONJSA-N -1 0 370.383 -0.255 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000748710068 660606143 /nfs/dbraw/zinc/60/61/43/660606143.db2.gz XKDAZYRBAWTHGY-NSHDSACASA-N -1 0 370.383 -0.255 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)[N-]OCCOC)c1 ZINC000748768462 660606502 /nfs/dbraw/zinc/60/65/02/660606502.db2.gz YCTHVFDSQMJHMY-UHFFFAOYSA-N -1 0 361.420 -0.427 20 0 FBADRM COCCO[N-]C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000748769850 660606530 /nfs/dbraw/zinc/60/65/30/660606530.db2.gz PKPFRLBXCVGIGY-UHFFFAOYSA-N -1 0 371.459 -0.004 20 0 FBADRM COCCO[N-]C(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000748770532 660606490 /nfs/dbraw/zinc/60/64/90/660606490.db2.gz YIRMXLRZGOLHCJ-UHFFFAOYSA-N -1 0 365.433 -0.643 20 0 FBADRM COCCO[N-]C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000748770782 660606526 /nfs/dbraw/zinc/60/65/26/660606526.db2.gz YYLRYQKLALLGTE-UHFFFAOYSA-N -1 0 360.168 -0.413 20 0 FBADRM COCCO[N-]C(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000748772825 660606542 /nfs/dbraw/zinc/60/65/42/660606542.db2.gz PYMIVJXNWWOLNP-UHFFFAOYSA-N -1 0 359.404 -0.040 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)[N-]OCCOC)cc1 ZINC000748777915 660606513 /nfs/dbraw/zinc/60/65/13/660606513.db2.gz XFNKVZACBSFRSN-UHFFFAOYSA-N -1 0 360.388 -0.164 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)CC(C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000748839995 660606819 /nfs/dbraw/zinc/60/68/19/660606819.db2.gz UDQATRJLTJVHLP-UHFFFAOYSA-N -1 0 368.415 -0.344 20 0 FBADRM CCCS(=O)(=O)[N-]C(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C ZINC000748845647 660607230 /nfs/dbraw/zinc/60/72/30/660607230.db2.gz JVDOCKWYTLIUSF-UHFFFAOYSA-N -1 0 354.388 -0.590 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)CC2CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000748847416 660607244 /nfs/dbraw/zinc/60/72/44/660607244.db2.gz VCKFMMYIXRAOOT-UHFFFAOYSA-N -1 0 366.399 -0.590 20 0 FBADRM COCCO[N-]C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000748859373 660607192 /nfs/dbraw/zinc/60/71/92/660607192.db2.gz KKXZHPANYGMYJA-UHFFFAOYSA-N -1 0 359.404 -0.639 20 0 FBADRM COCCO[N-]C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000748859382 660607235 /nfs/dbraw/zinc/60/72/35/660607235.db2.gz KUNCKXPSVXCEFN-UHFFFAOYSA-N -1 0 360.388 -0.180 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)CCCF)cnc2c1c(=O)n(C)c(=O)n2C ZINC000748876564 660607603 /nfs/dbraw/zinc/60/76/03/660607603.db2.gz HWBXDPYRKGHUIQ-UHFFFAOYSA-N -1 0 372.378 -0.640 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)Cc1c(F)cccc1F)S(C)(=O)=O ZINC000748973182 660607781 /nfs/dbraw/zinc/60/77/81/660607781.db2.gz HFHMKNFILHYWFY-UHFFFAOYSA-N -1 0 356.372 -0.198 20 0 FBADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)Cc2c(F)cccc2F)c1=O ZINC000748973306 660607788 /nfs/dbraw/zinc/60/77/88/660607788.db2.gz JQIJAHYFOLHUEG-UHFFFAOYSA-N -1 0 373.337 -0.529 20 0 FBADRM NC(=O)Cn1cc(C(=O)[N-]S(=O)(=O)Cc2c(F)cccc2F)nn1 ZINC000748973541 660607799 /nfs/dbraw/zinc/60/77/99/660607799.db2.gz MGHSUUSKYKJVDJ-UHFFFAOYSA-N -1 0 359.314 -0.699 20 0 FBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000748973801 660607778 /nfs/dbraw/zinc/60/77/78/660607778.db2.gz MJLIDIVUMLSWCO-UHFFFAOYSA-N -1 0 368.383 -0.054 20 0 FBADRM CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnn(-c2cc(C)ccn2)c1 ZINC000748975530 660607842 /nfs/dbraw/zinc/60/78/42/660607842.db2.gz PPBYFPQGSOHMMG-JTQLQIEISA-N -1 0 351.388 -0.095 20 0 FBADRM CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1cnn(-c2cc(C)ccn2)c1 ZINC000748975535 660607802 /nfs/dbraw/zinc/60/78/02/660607802.db2.gz PPBYFPQGSOHMMG-SNVBAGLBSA-N -1 0 351.388 -0.095 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)Cc2c(F)cccc2F)c(=O)n(C)c1=O ZINC000748976977 660607894 /nfs/dbraw/zinc/60/78/94/660607894.db2.gz KIVMFVHSEPVEBP-UHFFFAOYSA-N -1 0 373.337 -0.378 20 0 FBADRM Cc1ccnc(-n2cc(S(=O)(=O)[N-]C(=O)[C@@H]3CCNC(=O)C3)cn2)c1 ZINC000748989691 660608179 /nfs/dbraw/zinc/60/81/79/660608179.db2.gz JOPRTZGPLVPAMI-LLVKDONJSA-N -1 0 363.399 -0.093 20 0 FBADRM Cc1ccnc(-n2cc(S(=O)(=O)[N-]C(=O)[C@H]3CCNC(=O)C3)cn2)c1 ZINC000748989697 660608087 /nfs/dbraw/zinc/60/80/87/660608087.db2.gz JOPRTZGPLVPAMI-NSHDSACASA-N -1 0 363.399 -0.093 20 0 FBADRM Cc1ccnc(-n2cc(S(=O)(=O)[N-]C(=O)[C@H]3COCCO3)cn2)c1 ZINC000748990093 660608125 /nfs/dbraw/zinc/60/81/25/660608125.db2.gz GUDHNAUVYSIMTD-GFCCVEGCSA-N -1 0 352.372 -0.204 20 0 FBADRM Cc1ccnc(-n2cc(S(=O)(=O)[N-]C(=O)[C@@H]3COCCO3)cn2)c1 ZINC000748990099 660608127 /nfs/dbraw/zinc/60/81/27/660608127.db2.gz GUDHNAUVYSIMTD-LBPRGKRZSA-N -1 0 352.372 -0.204 20 0 FBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1cnn(-c2cc(C)ccn2)c1 ZINC000748991690 660608180 /nfs/dbraw/zinc/60/81/80/660608180.db2.gz WQCJDRGYTCBORW-UHFFFAOYSA-N -1 0 353.360 -0.263 20 0 FBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cnn(-c2cc(C)ccn2)c1 ZINC000748991721 660607816 /nfs/dbraw/zinc/60/78/16/660607816.db2.gz XHJYENVTKPIQSM-UHFFFAOYSA-N -1 0 351.388 -0.141 20 0 FBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000749052631 660608104 /nfs/dbraw/zinc/60/81/04/660608104.db2.gz IUDXPCCUVTVMQO-UHFFFAOYSA-N -1 0 357.413 -0.219 20 0 FBADRM CC(C)CS(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000749069425 660608093 /nfs/dbraw/zinc/60/80/93/660608093.db2.gz BKCRGZKNZHXZBG-UHFFFAOYSA-N -1 0 354.388 -0.652 20 0 FBADRM CC(C)CS(=O)(=O)[N-]C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000749069787 660608425 /nfs/dbraw/zinc/60/84/25/660608425.db2.gz FGCUWRADHQFCEM-UHFFFAOYSA-N -1 0 360.413 -0.067 20 0 FBADRM CC(C)CS(=O)(=O)[N-]C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000749070821 660608418 /nfs/dbraw/zinc/60/84/18/660608418.db2.gz MIGOCKUJPULOCE-UHFFFAOYSA-N -1 0 354.388 -0.652 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(=O)n(CCOC)c2)cn1 ZINC000749216053 660609171 /nfs/dbraw/zinc/60/91/71/660609171.db2.gz FLYGIMMDRMCKEU-UHFFFAOYSA-N -1 0 354.388 -0.170 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CSc2nnnn2C2CC2)cn1 ZINC000749216834 660609182 /nfs/dbraw/zinc/60/91/82/660609182.db2.gz HLACJLVAMQUVER-UHFFFAOYSA-N -1 0 357.421 -0.178 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)Cc2ccc(-n3cnnn3)cc2)cn1 ZINC000749216852 660609123 /nfs/dbraw/zinc/60/91/23/660609123.db2.gz IMLVMJGKPGKAKI-UHFFFAOYSA-N -1 0 361.387 -0.074 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)COc2ccc(C(N)=O)cc2)cn1 ZINC000749217205 660609158 /nfs/dbraw/zinc/60/91/58/660609158.db2.gz IXVGKQWMAQMSJU-UHFFFAOYSA-N -1 0 352.372 -0.114 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(OCC(N)=O)cc2)cn1 ZINC000749217209 660609126 /nfs/dbraw/zinc/60/91/26/660609126.db2.gz IYTRENLCODUODJ-UHFFFAOYSA-N -1 0 352.372 -0.114 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cccc(OCC(N)=O)c2)cn1 ZINC000749217352 660609129 /nfs/dbraw/zinc/60/91/29/660609129.db2.gz KMZNWRLYIBPCCP-UHFFFAOYSA-N -1 0 352.372 -0.114 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2S(C)(=O)=O)cn1 ZINC000749217842 660609131 /nfs/dbraw/zinc/60/91/31/660609131.db2.gz RMVKAJUTHVVRCI-JTQLQIEISA-N -1 0 350.422 -0.868 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2S(C)(=O)=O)cn1 ZINC000749217844 660609169 /nfs/dbraw/zinc/60/91/69/660609169.db2.gz RMVKAJUTHVVRCI-SNVBAGLBSA-N -1 0 350.422 -0.868 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CN2C(=O)NC3(CCCC3)C2=O)cn1 ZINC000749217945 660609132 /nfs/dbraw/zinc/60/91/32/660609132.db2.gz SWPNIYNPSGSDSZ-UHFFFAOYSA-N -1 0 369.403 -0.428 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cn1 ZINC000749217981 660609176 /nfs/dbraw/zinc/60/91/76/660609176.db2.gz UFNLMROAFKJYBU-AWEZNQCLSA-N -1 0 369.403 -0.572 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cn1 ZINC000749217982 660609162 /nfs/dbraw/zinc/60/91/62/660609162.db2.gz UFNLMROAFKJYBU-CQSZACIVSA-N -1 0 369.403 -0.572 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cn1 ZINC000749218450 660609167 /nfs/dbraw/zinc/60/91/67/660609167.db2.gz UEDWCPUTOSUJCM-RYUDHWBXSA-N -1 0 368.415 -0.117 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cn1 ZINC000749218453 660609155 /nfs/dbraw/zinc/60/91/55/660609155.db2.gz UEDWCPUTOSUJCM-TXEJJXNPSA-N -1 0 368.415 -0.117 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cn1 ZINC000749218455 660609122 /nfs/dbraw/zinc/60/91/22/660609122.db2.gz UEDWCPUTOSUJCM-VXGBXAGGSA-N -1 0 368.415 -0.117 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CCCN2C(=O)NC(C)(C)C2=O)cn1 ZINC000749220000 660609160 /nfs/dbraw/zinc/60/91/60/660609160.db2.gz HXLIZDXWXIPGRW-UHFFFAOYSA-N -1 0 371.419 -0.182 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CN2C(=O)NC(CC)(CC)C2=O)cn1 ZINC000749225465 660609574 /nfs/dbraw/zinc/60/95/74/660609574.db2.gz AJPZQDJWEOJXKY-UHFFFAOYSA-N -1 0 371.419 -0.182 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)Cn2nnc3ccccc3c2=O)cn1 ZINC000749225494 660609649 /nfs/dbraw/zinc/60/96/49/660609649.db2.gz LODCGZNPYVHLBR-UHFFFAOYSA-N -1 0 362.371 -0.487 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CCN2CCCS2(=O)=O)cn1 ZINC000749226571 660609582 /nfs/dbraw/zinc/60/95/82/660609582.db2.gz WIQPKUYOXFDTIN-UHFFFAOYSA-N -1 0 350.422 -0.867 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCCN2S(C)(=O)=O)cn1 ZINC000749229108 660609578 /nfs/dbraw/zinc/60/95/78/660609578.db2.gz UXPPISFJOXECNZ-LLVKDONJSA-N -1 0 364.449 -0.478 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCN2S(C)(=O)=O)cn1 ZINC000749229109 660609654 /nfs/dbraw/zinc/60/96/54/660609654.db2.gz UXPPISFJOXECNZ-NSHDSACASA-N -1 0 364.449 -0.478 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2ccccc2OCC(N)=O)cn1 ZINC000749229237 660609631 /nfs/dbraw/zinc/60/96/31/660609631.db2.gz YXVDTBUUHPYKGM-UHFFFAOYSA-N -1 0 352.372 -0.114 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc-2c(=O)[n-]1 ZINC000749314671 660610166 /nfs/dbraw/zinc/61/01/66/660610166.db2.gz VMIMDZXQAKRWES-UHFFFAOYSA-N -1 0 368.371 -0.036 20 0 FBADRM O=C([N-]O[C@H]1CCCCO1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000749376011 660611259 /nfs/dbraw/zinc/61/12/59/660611259.db2.gz WZIMVLMDYCKEGN-GWCFXTLKSA-N -1 0 359.404 -0.274 20 0 FBADRM O=C([N-]O[C@@H]1CCCCO1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000749376013 660611290 /nfs/dbraw/zinc/61/12/90/660611290.db2.gz WZIMVLMDYCKEGN-GXFFZTMASA-N -1 0 359.404 -0.274 20 0 FBADRM O=C([N-]O[C@H]1CCCCO1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000749376014 660611296 /nfs/dbraw/zinc/61/12/96/660611296.db2.gz WZIMVLMDYCKEGN-MFKMUULPSA-N -1 0 359.404 -0.274 20 0 FBADRM O=C([N-]O[C@@H]1CCCCO1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000749376016 660611258 /nfs/dbraw/zinc/61/12/58/660611258.db2.gz WZIMVLMDYCKEGN-ZWNOBZJWSA-N -1 0 359.404 -0.274 20 0 FBADRM COC(=O)CCNC(=O)COC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000749532784 660611970 /nfs/dbraw/zinc/61/19/70/660611970.db2.gz AJJVSUISKACEHX-UHFFFAOYSA-N -1 0 358.372 -0.106 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)[N-]O[C@@H]1CCCCO1 ZINC000749620570 660612744 /nfs/dbraw/zinc/61/27/44/660612744.db2.gz NAOWDJHWZKMIMF-CYBMUJFWSA-N -1 0 371.371 -0.184 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)[N-]O[C@H]1CCCCO1 ZINC000749620571 660612716 /nfs/dbraw/zinc/61/27/16/660612716.db2.gz NAOWDJHWZKMIMF-ZDUSSCGKSA-N -1 0 371.371 -0.184 20 0 FBADRM O=C(NC1(c2nnn[n-]2)CCCC1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000750004212 660617082 /nfs/dbraw/zinc/61/70/82/660617082.db2.gz RUZQADRYSSQPOD-LLVKDONJSA-N -1 0 363.403 -0.185 20 0 FBADRM O=C(NC1(c2nnn[n-]2)CCCC1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000750004213 660617097 /nfs/dbraw/zinc/61/70/97/660617097.db2.gz RUZQADRYSSQPOD-NSHDSACASA-N -1 0 363.403 -0.185 20 0 FBADRM O=C([O-])CNC(=O)CNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000750082250 660617682 /nfs/dbraw/zinc/61/76/82/660617682.db2.gz CVXOQRMWGXRPOM-UHFFFAOYSA-N -1 0 361.276 -0.248 20 0 FBADRM CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NCC(=O)NCC(=O)[O-] ZINC000750082372 660617610 /nfs/dbraw/zinc/61/76/10/660617610.db2.gz DYPNQIAZEUVRRC-GFCCVEGCSA-N -1 0 367.427 -0.145 20 0 FBADRM CSCC[C@H](NC(=O)c1ccccc1)C(=O)NCC(=O)NCC(=O)[O-] ZINC000750082630 660617792 /nfs/dbraw/zinc/61/77/92/660617792.db2.gz DYPNQIAZEUVRRC-LBPRGKRZSA-N -1 0 367.427 -0.145 20 0 FBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000750083817 660617711 /nfs/dbraw/zinc/61/77/11/660617711.db2.gz PERMSYNCCYWJJE-UHFFFAOYSA-N -1 0 350.299 -0.387 20 0 FBADRM CSCC[C@@H](NC(=O)c1ccco1)C(=O)NCC(=O)NCC(=O)[O-] ZINC000750084815 660617620 /nfs/dbraw/zinc/61/76/20/660617620.db2.gz ZGJUYWLIZRWCBC-SECBINFHSA-N -1 0 357.388 -0.552 20 0 FBADRM CSCC[C@H](NC(=O)c1ccco1)C(=O)NCC(=O)NCC(=O)[O-] ZINC000750084817 660617778 /nfs/dbraw/zinc/61/77/78/660617778.db2.gz ZGJUYWLIZRWCBC-VIFPVBQESA-N -1 0 357.388 -0.552 20 0 FBADRM CO[C@@H](C)c1noc(CN2CCCN(C(=O)c3cc(=O)[nH][n-]3)CC2)n1 ZINC000750251301 660618799 /nfs/dbraw/zinc/61/87/99/660618799.db2.gz QMVMPUIGXOGSOD-JTQLQIEISA-N -1 0 350.379 -0.313 20 0 FBADRM CO[C@H](C)c1noc(CN2CCCN(C(=O)c3cc(=O)[nH][n-]3)CC2)n1 ZINC000750251302 660618833 /nfs/dbraw/zinc/61/88/33/660618833.db2.gz QMVMPUIGXOGSOD-SNVBAGLBSA-N -1 0 350.379 -0.313 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000750384458 660619805 /nfs/dbraw/zinc/61/98/05/660619805.db2.gz IBYIETYEUPVDNV-UHFFFAOYSA-N -1 0 356.364 -0.910 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)nn1 ZINC000750385699 660619810 /nfs/dbraw/zinc/61/98/10/660619810.db2.gz YRKPXSPIJSYGOC-UHFFFAOYSA-N -1 0 355.351 -0.376 20 0 FBADRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000750387101 660619792 /nfs/dbraw/zinc/61/97/92/660619792.db2.gz JZFVTAMCXPTARS-UHFFFAOYSA-N -1 0 351.388 -0.207 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cn(CC(=O)N(C)C)nn2)cc1 ZINC000750387867 660619746 /nfs/dbraw/zinc/61/97/46/660619746.db2.gz REZSHKYYZZITBL-UHFFFAOYSA-N -1 0 351.388 -0.207 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cn(CC(=O)N(C)C)nn2)cc1 ZINC000750388119 660619784 /nfs/dbraw/zinc/61/97/84/660619784.db2.gz DNGFUZSKKUNGMC-UHFFFAOYSA-N -1 0 367.387 -0.506 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)nn1 ZINC000750389446 660619731 /nfs/dbraw/zinc/61/97/31/660619731.db2.gz HCEWWPKQAYXTDH-UHFFFAOYSA-N -1 0 373.341 -0.237 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2)nn1 ZINC000750389590 660619751 /nfs/dbraw/zinc/61/97/51/660619751.db2.gz JQCMMVZTIWKVJC-UHFFFAOYSA-N -1 0 351.388 -0.374 20 0 FBADRM Cn1nccc1C(=O)[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O ZINC000750389702 660619777 /nfs/dbraw/zinc/61/97/77/660619777.db2.gz BYJNBZUUCOIOBL-UHFFFAOYSA-N -1 0 362.367 -0.224 20 0 FBADRM Cc1cccc(S(=O)(=O)[N-]C(=O)c2cn(CC(=O)N(C)C)nn2)c1 ZINC000750389930 660619742 /nfs/dbraw/zinc/61/97/42/660619742.db2.gz GQBRLFJLIXIJKE-UHFFFAOYSA-N -1 0 351.388 -0.207 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cn(CC(=O)N(C)C)nn2)s1 ZINC000750391153 660619768 /nfs/dbraw/zinc/61/97/68/660619768.db2.gz LBFZYWDHELAOOC-UHFFFAOYSA-N -1 0 357.417 -0.145 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CCNC(=O)OCC(F)(F)F)cn1 ZINC000750391183 660619713 /nfs/dbraw/zinc/61/97/13/660619713.db2.gz WPWMSBGHRYZHLU-UHFFFAOYSA-N -1 0 358.298 -0.096 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)nn1 ZINC000750391812 660619762 /nfs/dbraw/zinc/61/97/62/660619762.db2.gz MYJXULRBQJBECK-UHFFFAOYSA-N -1 0 369.378 -0.235 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2ccccc2F)nn1 ZINC000750392108 660619770 /nfs/dbraw/zinc/61/97/70/660619770.db2.gz WVOUUVDLJWWBIA-UHFFFAOYSA-N -1 0 355.351 -0.376 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)CCc2ccccc2)nn1 ZINC000750409492 660619740 /nfs/dbraw/zinc/61/97/40/660619740.db2.gz CNYMCTVQXIKHNL-UHFFFAOYSA-N -1 0 365.415 -0.331 20 0 FBADRM COc1cccc(S(=O)(=O)[N-]C(=O)c2cn(CC(=O)N(C)C)nn2)c1 ZINC000750412875 660619707 /nfs/dbraw/zinc/61/97/07/660619707.db2.gz PABJAMRZWSDTCJ-UHFFFAOYSA-N -1 0 367.387 -0.506 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cnn3c2CCCC3)cc1C(N)=O ZINC000750569401 660621241 /nfs/dbraw/zinc/62/12/41/660621241.db2.gz KXUWXPBZDCQNSZ-UHFFFAOYSA-N -1 0 351.388 -0.225 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1)[C@@H]1COCCO1 ZINC000750641749 660621928 /nfs/dbraw/zinc/62/19/28/660621928.db2.gz SVQRKZOLDOWREA-HNNXBMFYSA-N -1 0 369.443 -0.419 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1)[C@H]1COCCO1 ZINC000750641750 660621922 /nfs/dbraw/zinc/62/19/22/660621922.db2.gz SVQRKZOLDOWREA-OAHLLOKOSA-N -1 0 369.443 -0.419 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)N1CCCc2ccccc21)S(C)(=O)=O ZINC000750644994 660621905 /nfs/dbraw/zinc/62/19/05/660621905.db2.gz TUTHWROCGHPJQC-UHFFFAOYSA-N -1 0 361.445 -0.308 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1)S(C)(=O)=O ZINC000750648678 660621981 /nfs/dbraw/zinc/62/19/81/660621981.db2.gz NSASDWVJXFTDJF-UHFFFAOYSA-N -1 0 361.445 -0.703 20 0 FBADRM CCCCS(=O)(=O)[N-]C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000750677003 660622339 /nfs/dbraw/zinc/62/23/39/660622339.db2.gz DNDZOHCLZPWPPN-UHFFFAOYSA-N -1 0 357.392 -0.459 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@@H](C)c2cnn(C)c2)CC1 ZINC000750691703 660622795 /nfs/dbraw/zinc/62/27/95/660622795.db2.gz OGWVGVMRKRZFNK-JTQLQIEISA-N -1 0 358.420 -0.230 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@H](C)c2cnn(C)c2)CC1 ZINC000750691704 660622779 /nfs/dbraw/zinc/62/27/79/660622779.db2.gz OGWVGVMRKRZFNK-SNVBAGLBSA-N -1 0 358.420 -0.230 20 0 FBADRM CC(C)CS(=O)(=O)[N-]C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000750696661 660622706 /nfs/dbraw/zinc/62/27/06/660622706.db2.gz CGLPDKZWAIXTHL-UHFFFAOYSA-N -1 0 357.392 -0.603 20 0 FBADRM CC(C)CCS(=O)(=O)[N-]C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000750700645 660622796 /nfs/dbraw/zinc/62/27/96/660622796.db2.gz GXQQEHGHMGKUPB-UHFFFAOYSA-N -1 0 371.419 -0.213 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](C)c1cnn(C)c1 ZINC000750702740 660622742 /nfs/dbraw/zinc/62/27/42/660622742.db2.gz NWFOLCXFMGZGDE-CMPLNLGQSA-N -1 0 358.420 -0.088 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](C)c1cnn(C)c1 ZINC000750702741 660622762 /nfs/dbraw/zinc/62/27/62/660622762.db2.gz NWFOLCXFMGZGDE-JQWIXIFHSA-N -1 0 358.420 -0.088 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](C)c1cnn(C)c1 ZINC000750702743 660622756 /nfs/dbraw/zinc/62/27/56/660622756.db2.gz NWFOLCXFMGZGDE-PWSUYJOCSA-N -1 0 358.420 -0.088 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](C)c1cnn(C)c1 ZINC000750702744 660622748 /nfs/dbraw/zinc/62/27/48/660622748.db2.gz NWFOLCXFMGZGDE-ZYHUDNBSSA-N -1 0 358.420 -0.088 20 0 FBADRM CCC(CC)S(=O)(=O)[N-]C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000750707113 660622713 /nfs/dbraw/zinc/62/27/13/660622713.db2.gz FUSWJPMNUPLANP-UHFFFAOYSA-N -1 0 371.419 -0.071 20 0 FBADRM Cn1c2[nH]c(CCC(=O)[N-]S(=O)(=O)CC(C)(C)C)nc2c(=O)[nH]c1=O ZINC000750708623 660622798 /nfs/dbraw/zinc/62/27/98/660622798.db2.gz QIHPYAUXRJUUBS-UHFFFAOYSA-N -1 0 371.419 -0.213 20 0 FBADRM CNC(=O)c1cncc(/C=C\C(=O)[N-]S(=O)(=O)N2CCOCC2)c1 ZINC000750723226 660622773 /nfs/dbraw/zinc/62/27/73/660622773.db2.gz BNJWKRKXHBUREL-IHWYPQMZSA-N -1 0 354.388 -0.852 20 0 FBADRM CNC(=O)c1cncc(/C=C/C(=O)[N-]S(=O)(=O)N2CCOCC2)c1 ZINC000750723228 660623082 /nfs/dbraw/zinc/62/30/82/660623082.db2.gz BNJWKRKXHBUREL-NSCUHMNNSA-N -1 0 354.388 -0.852 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000750723345 660623122 /nfs/dbraw/zinc/62/31/22/660623122.db2.gz CTHKSAYMDOCQND-LLVKDONJSA-N -1 0 357.388 -0.679 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000750723347 660623005 /nfs/dbraw/zinc/62/30/05/660623005.db2.gz CTHKSAYMDOCQND-NSHDSACASA-N -1 0 357.388 -0.679 20 0 FBADRM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750724223 660623016 /nfs/dbraw/zinc/62/30/16/660623016.db2.gz HIBDDPQQSQYMGA-JTQLQIEISA-N -1 0 365.477 -0.373 20 0 FBADRM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750724230 660623038 /nfs/dbraw/zinc/62/30/38/660623038.db2.gz HIBDDPQQSQYMGA-SNVBAGLBSA-N -1 0 365.477 -0.373 20 0 FBADRM O=C(Cn1cc(Br)cn1)[N-]S(=O)(=O)N1CCOCC1 ZINC000750724282 660623012 /nfs/dbraw/zinc/62/30/12/660623012.db2.gz HYIKVNIREUUBAB-UHFFFAOYSA-N -1 0 353.198 -0.661 20 0 FBADRM C[C@@H](NC(=O)OCc1ccccc1)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750724771 660623150 /nfs/dbraw/zinc/62/31/50/660623150.db2.gz IUKYUKZHEKNTEK-GFCCVEGCSA-N -1 0 371.415 -0.006 20 0 FBADRM C[C@H](NC(=O)OCc1ccccc1)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750724782 660623066 /nfs/dbraw/zinc/62/30/66/660623066.db2.gz IUKYUKZHEKNTEK-LBPRGKRZSA-N -1 0 371.415 -0.006 20 0 FBADRM Cc1ccccc1[C@@H](CC(=O)[N-]S(=O)(=O)N1CCOCC1)NC(N)=O ZINC000750724789 660622987 /nfs/dbraw/zinc/62/29/87/660622987.db2.gz IUVUCUIXASRMEZ-CYBMUJFWSA-N -1 0 370.431 -0.212 20 0 FBADRM Cc1ccccc1[C@H](CC(=O)[N-]S(=O)(=O)N1CCOCC1)NC(N)=O ZINC000750724793 660623049 /nfs/dbraw/zinc/62/30/49/660623049.db2.gz IUVUCUIXASRMEZ-ZDUSSCGKSA-N -1 0 370.431 -0.212 20 0 FBADRM CCC(=O)N[C@@H](CCSC)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750725036 660623106 /nfs/dbraw/zinc/62/31/06/660623106.db2.gz KRLPGCKNCZKDTJ-JTQLQIEISA-N -1 0 353.466 -0.673 20 0 FBADRM CCC(=O)N[C@H](CCSC)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750725041 660623113 /nfs/dbraw/zinc/62/31/13/660623113.db2.gz KRLPGCKNCZKDTJ-SNVBAGLBSA-N -1 0 353.466 -0.673 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000750725091 660622998 /nfs/dbraw/zinc/62/29/98/660622998.db2.gz LYVBIJMPANXZCB-AWEZNQCLSA-N -1 0 367.427 -0.016 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000750725092 660623053 /nfs/dbraw/zinc/62/30/53/660623053.db2.gz LYVBIJMPANXZCB-CQSZACIVSA-N -1 0 367.427 -0.016 20 0 FBADRM C[C@H]1Oc2c(cccc2C(=O)[N-]S(=O)(=O)N2CCOCC2)NC1=O ZINC000750725912 660622993 /nfs/dbraw/zinc/62/29/93/660622993.db2.gz MZBKJBNYGJLVPL-SECBINFHSA-N -1 0 355.372 -0.287 20 0 FBADRM C[C@@H]1Oc2c(cccc2C(=O)[N-]S(=O)(=O)N2CCOCC2)NC1=O ZINC000750725913 660623070 /nfs/dbraw/zinc/62/30/70/660623070.db2.gz MZBKJBNYGJLVPL-VIFPVBQESA-N -1 0 355.372 -0.287 20 0 FBADRM Cc1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)ccc1-n1cnnn1 ZINC000750725917 660623171 /nfs/dbraw/zinc/62/31/71/660623171.db2.gz NFPFEKXHSCIXKJ-UHFFFAOYSA-N -1 0 352.376 -0.722 20 0 FBADRM Cc1ccc(-n2cc(C(=O)[N-]S(=O)(=O)N3CCOCC3)nn2)cc1 ZINC000750725927 660622942 /nfs/dbraw/zinc/62/29/42/660622942.db2.gz NTTYIAHXPIKBSM-UHFFFAOYSA-N -1 0 351.388 -0.117 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000750726813 660623075 /nfs/dbraw/zinc/62/30/75/660623075.db2.gz AHVZBJAWNGATJP-HTQZYQBOSA-N -1 0 359.326 -0.863 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000750726820 660622977 /nfs/dbraw/zinc/62/29/77/660622977.db2.gz AHVZBJAWNGATJP-JGVFFNPUSA-N -1 0 359.326 -0.863 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000750726822 660623135 /nfs/dbraw/zinc/62/31/35/660623135.db2.gz AHVZBJAWNGATJP-SFYZADRCSA-N -1 0 359.326 -0.863 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000750726824 660623042 /nfs/dbraw/zinc/62/30/42/660623042.db2.gz AHVZBJAWNGATJP-YUMQZZPRSA-N -1 0 359.326 -0.863 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccc(N2CCOC2=O)cc1 ZINC000750726890 660623125 /nfs/dbraw/zinc/62/31/25/660623125.db2.gz AVHAPBMNDCPRLL-UHFFFAOYSA-N -1 0 355.372 -0.050 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccc(N2CCOCC2)nc1 ZINC000750726897 660623155 /nfs/dbraw/zinc/62/31/55/660623155.db2.gz BAYDRIYHDWLFIW-UHFFFAOYSA-N -1 0 356.404 -0.775 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)n1nnc(-c2ccccc2)n1 ZINC000750726939 660622955 /nfs/dbraw/zinc/62/29/55/660622955.db2.gz RPPHTIDIOIJTSD-LLVKDONJSA-N -1 0 366.403 -0.406 20 0 FBADRM O=C(Cc1cc(F)cc2c1OCOC2)[N-]S(=O)(=O)N1CCOCC1 ZINC000750726945 660623116 /nfs/dbraw/zinc/62/31/16/660623116.db2.gz BSBKVVPIFSSQHU-UHFFFAOYSA-N -1 0 360.363 -0.072 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)n1nnc(-c2ccccc2)n1 ZINC000750726946 660623167 /nfs/dbraw/zinc/62/31/67/660623167.db2.gz RPPHTIDIOIJTSD-NSHDSACASA-N -1 0 366.403 -0.406 20 0 FBADRM O=C(CCCNC(=O)c1ccccc1)[N-]S(=O)(=O)N1CCOCC1 ZINC000750726960 660623144 /nfs/dbraw/zinc/62/31/44/660623144.db2.gz BWCYIFSGKBPMME-UHFFFAOYSA-N -1 0 355.416 -0.110 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)C1CCN(C(=O)N2CCCC2)CC1 ZINC000750727087 660623130 /nfs/dbraw/zinc/62/31/30/660623130.db2.gz COYLOTMCEMDPQV-UHFFFAOYSA-N -1 0 374.463 -0.393 20 0 FBADRM Cn1nc(CC(=O)[N-]S(=O)(=O)N2CCOCC2)c2ccccc2c1=O ZINC000750727098 660623022 /nfs/dbraw/zinc/62/30/22/660623022.db2.gz CSDQOCKDCADYMN-UHFFFAOYSA-N -1 0 366.399 -0.831 20 0 FBADRM NC(=O)c1cn(CC(=O)[N-]S(=O)(=O)N2CCOCC2)c2ccccc12 ZINC000750727181 660623045 /nfs/dbraw/zinc/62/30/45/660623045.db2.gz VZWLMAFJDZQXOD-UHFFFAOYSA-N -1 0 366.399 -0.567 20 0 FBADRM O=C(C[C@H]1Oc2ccccc2NC1=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750727323 660623032 /nfs/dbraw/zinc/62/30/32/660623032.db2.gz XVXJIUACKHWHKJ-GFCCVEGCSA-N -1 0 355.372 -0.531 20 0 FBADRM O=C(C[C@@H]1Oc2ccccc2NC1=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750727368 660622968 /nfs/dbraw/zinc/62/29/68/660622968.db2.gz XVXJIUACKHWHKJ-LBPRGKRZSA-N -1 0 355.372 -0.531 20 0 FBADRM Cc1nc2ccnn2c(C)c1CCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750727492 660623097 /nfs/dbraw/zinc/62/30/97/660623097.db2.gz YYRQYPRFABSAJL-UHFFFAOYSA-N -1 0 367.431 -0.028 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000750727853 660623469 /nfs/dbraw/zinc/62/34/69/660623469.db2.gz FGKJRQCNRKUJRV-LLVKDONJSA-N -1 0 371.390 -0.128 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000750727857 660623360 /nfs/dbraw/zinc/62/33/60/660623360.db2.gz FGKJRQCNRKUJRV-NSHDSACASA-N -1 0 371.390 -0.128 20 0 FBADRM CCn1c2ccccc2n(CC(=O)[N-]S(=O)(=O)N2CCOCC2)c1=O ZINC000750727933 660623374 /nfs/dbraw/zinc/62/33/74/660623374.db2.gz GBZICAJLEYGCNS-UHFFFAOYSA-N -1 0 368.415 -0.484 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000750727996 660623443 /nfs/dbraw/zinc/62/34/43/660623443.db2.gz HLHIKPRETJWCJS-IJLUTSLNSA-N -1 0 373.431 -0.757 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000750727997 660623352 /nfs/dbraw/zinc/62/33/52/660623352.db2.gz HLHIKPRETJWCJS-SDDRHHMPSA-N -1 0 373.431 -0.757 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000750727999 660623284 /nfs/dbraw/zinc/62/32/84/660623284.db2.gz HLHIKPRETJWCJS-UTUOFQBUSA-N -1 0 373.431 -0.757 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000750728000 660623465 /nfs/dbraw/zinc/62/34/65/660623465.db2.gz HLHIKPRETJWCJS-WOPDTQHZSA-N -1 0 373.431 -0.757 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000750728013 660623462 /nfs/dbraw/zinc/62/34/62/660623462.db2.gz HWEKMDKIXXBKII-MRVPVSSYSA-N -1 0 359.326 -0.910 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000750728014 660623456 /nfs/dbraw/zinc/62/34/56/660623456.db2.gz HWEKMDKIXXBKII-QMMMGPOBSA-N -1 0 359.326 -0.910 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000750728159 660623291 /nfs/dbraw/zinc/62/32/91/660623291.db2.gz BSXNDPHLQYOLBN-GFCCVEGCSA-N -1 0 371.415 -0.033 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000750728161 660623279 /nfs/dbraw/zinc/62/32/79/660623279.db2.gz BSXNDPHLQYOLBN-LBPRGKRZSA-N -1 0 371.415 -0.033 20 0 FBADRM O=C(CN1C(=O)COc2ccccc21)[N-]S(=O)(=O)N1CCOCC1 ZINC000750728589 660623354 /nfs/dbraw/zinc/62/33/54/660623354.db2.gz JBQVKGHOXOMQAH-UHFFFAOYSA-N -1 0 355.372 -0.895 20 0 FBADRM O=C(CCc1nc(-c2ccco2)no1)[N-]S(=O)(=O)N1CCOCC1 ZINC000750728670 660623332 /nfs/dbraw/zinc/62/33/32/660623332.db2.gz KLULIWCFMJYBPQ-UHFFFAOYSA-N -1 0 356.360 -0.045 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cn(Cc2ccccn2)nn1 ZINC000750728707 660623356 /nfs/dbraw/zinc/62/33/56/660623356.db2.gz DWYQRFCQFCYVAR-UHFFFAOYSA-N -1 0 352.376 -0.972 20 0 FBADRM C[C@H]1Oc2ccccc2N(CC(=O)[N-]S(=O)(=O)N2CCOCC2)C1=O ZINC000750728719 660623350 /nfs/dbraw/zinc/62/33/50/660623350.db2.gz LLKUPQOURQKHMZ-LLVKDONJSA-N -1 0 369.399 -0.506 20 0 FBADRM C[C@@H]1Oc2ccccc2N(CC(=O)[N-]S(=O)(=O)N2CCOCC2)C1=O ZINC000750728721 660623342 /nfs/dbraw/zinc/62/33/42/660623342.db2.gz LLKUPQOURQKHMZ-NSHDSACASA-N -1 0 369.399 -0.506 20 0 FBADRM CCOC(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)nc1C ZINC000750729173 660623384 /nfs/dbraw/zinc/62/33/84/660623384.db2.gz AORFEQORZKGRRT-UHFFFAOYSA-N -1 0 357.388 -0.126 20 0 FBADRM COCCCOc1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cn1 ZINC000750729225 660623463 /nfs/dbraw/zinc/62/34/63/660623463.db2.gz DCJMRFYSEXIYQW-UHFFFAOYSA-N -1 0 359.404 -0.196 20 0 FBADRM O=C(CCn1cnc2sccc2c1=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750729299 660623365 /nfs/dbraw/zinc/62/33/65/660623365.db2.gz MPIOLGWIIYVMPJ-UHFFFAOYSA-N -1 0 372.428 -0.459 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)C1(S(=O)(=O)c2ccccc2)CC1 ZINC000750729312 660623266 /nfs/dbraw/zinc/62/32/66/660623266.db2.gz NYRWCTFDOBKKDU-UHFFFAOYSA-N -1 0 374.440 -0.314 20 0 FBADRM O=C(CSCC(=O)N1CCCCC1)[N-]S(=O)(=O)N1CCOCC1 ZINC000750729315 660623319 /nfs/dbraw/zinc/62/33/19/660623319.db2.gz ODLSKXTZCHMWGL-UHFFFAOYSA-N -1 0 365.477 -0.575 20 0 FBADRM C[C@H]1C(=O)Nc2cc(C(=O)[N-]S(=O)(=O)N3CCOCC3)ccc2N1C ZINC000750729316 660623357 /nfs/dbraw/zinc/62/33/57/660623357.db2.gz OGOFLUHEMNPKED-JTQLQIEISA-N -1 0 368.415 -0.230 20 0 FBADRM C[C@@H]1C(=O)Nc2cc(C(=O)[N-]S(=O)(=O)N3CCOCC3)ccc2N1C ZINC000750729317 660623404 /nfs/dbraw/zinc/62/34/04/660623404.db2.gz OGOFLUHEMNPKED-SNVBAGLBSA-N -1 0 368.415 -0.230 20 0 FBADRM O=C(COc1ccc2ccc(=O)oc2c1)[N-]S(=O)(=O)N1CCOCC1 ZINC000750729393 660623391 /nfs/dbraw/zinc/62/33/91/660623391.db2.gz QSGWSUWXRLPIQH-UHFFFAOYSA-N -1 0 368.367 -0.135 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000750729394 660623368 /nfs/dbraw/zinc/62/33/68/660623368.db2.gz QUFYTTYDYLQPRG-AWEZNQCLSA-N -1 0 367.427 -0.272 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000750729395 660623302 /nfs/dbraw/zinc/62/33/02/660623302.db2.gz QUFYTTYDYLQPRG-CQSZACIVSA-N -1 0 367.427 -0.272 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000750729587 660623248 /nfs/dbraw/zinc/62/32/48/660623248.db2.gz LPGPQPOSYXRJQW-CYBMUJFWSA-N -1 0 371.390 -0.128 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000750729588 660623407 /nfs/dbraw/zinc/62/34/07/660623407.db2.gz LPGPQPOSYXRJQW-ZDUSSCGKSA-N -1 0 371.390 -0.128 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)C1CCN(C(=O)c2ccoc2)CC1 ZINC000750729689 660623325 /nfs/dbraw/zinc/62/33/25/660623325.db2.gz SJLMLDFHCBSYAT-UHFFFAOYSA-N -1 0 371.415 -0.175 20 0 FBADRM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)C1 ZINC000750729747 660623394 /nfs/dbraw/zinc/62/33/94/660623394.db2.gz SOOSPLWKEWCUND-GFCCVEGCSA-N -1 0 361.464 -0.036 20 0 FBADRM CC(C)(C)C(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)C1 ZINC000750729748 660623355 /nfs/dbraw/zinc/62/33/55/660623355.db2.gz SOOSPLWKEWCUND-LBPRGKRZSA-N -1 0 361.464 -0.036 20 0 FBADRM O=C(Cc1cnn(-c2ccccc2)n1)[N-]S(=O)(=O)N1CCOCC1 ZINC000750729773 660623315 /nfs/dbraw/zinc/62/33/15/660623315.db2.gz CFBKDMGQPKVRGZ-UHFFFAOYSA-N -1 0 351.388 -0.497 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000750729789 660623261 /nfs/dbraw/zinc/62/32/61/660623261.db2.gz IBEWCIAYGDRZBC-LLVKDONJSA-N -1 0 371.390 -0.128 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000750729790 660623271 /nfs/dbraw/zinc/62/32/71/660623271.db2.gz IBEWCIAYGDRZBC-NSHDSACASA-N -1 0 371.390 -0.128 20 0 FBADRM CN(C)C(=O)COc1ccccc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750729865 660623311 /nfs/dbraw/zinc/62/33/11/660623311.db2.gz SUHNPOUZUVHRFN-UHFFFAOYSA-N -1 0 371.415 -0.540 20 0 FBADRM O=C(CN1C(=O)CCc2ccccc21)[N-]S(=O)(=O)N1CCOCC1 ZINC000750729887 660623379 /nfs/dbraw/zinc/62/33/79/660623379.db2.gz JBFOCTXVAKANLK-UHFFFAOYSA-N -1 0 353.400 -0.341 20 0 FBADRM CC(=O)N1CCc2cc(C(=O)[N-]S(=O)(=O)N3CCOCC3)ccc21 ZINC000750729917 660623412 /nfs/dbraw/zinc/62/34/12/660623412.db2.gz DBHDGIZYEQZGSF-UHFFFAOYSA-N -1 0 353.400 -0.098 20 0 FBADRM COC(=O)COc1cccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c1 ZINC000750729966 660623753 /nfs/dbraw/zinc/62/37/53/660623753.db2.gz DSNBCIYDIMSRPS-UHFFFAOYSA-N -1 0 358.372 -0.455 20 0 FBADRM CCn1nc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c(=O)c2ccccc21 ZINC000750729981 660623734 /nfs/dbraw/zinc/62/37/34/660623734.db2.gz UGMRUDSQXGCMHA-UHFFFAOYSA-N -1 0 366.399 -0.277 20 0 FBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)N2CCOCC2)Cc2ccccc2C(=O)O1 ZINC000750730053 660623768 /nfs/dbraw/zinc/62/37/68/660623768.db2.gz VGTXKTKJTQPIAX-HNNXBMFYSA-N -1 0 354.384 -0.149 20 0 FBADRM C[C@]1(C(=O)[N-]S(=O)(=O)N2CCOCC2)Cc2ccccc2C(=O)O1 ZINC000750730056 660623756 /nfs/dbraw/zinc/62/37/56/660623756.db2.gz VGTXKTKJTQPIAX-OAHLLOKOSA-N -1 0 354.384 -0.149 20 0 FBADRM CCS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cc1 ZINC000750730063 660623737 /nfs/dbraw/zinc/62/37/37/660623737.db2.gz VIVMOXUXCUMCSN-UHFFFAOYSA-N -1 0 362.429 -0.213 20 0 FBADRM Cn1c2ccccc2n(CC(=O)[N-]S(=O)(=O)N2CCOCC2)c1=O ZINC000750730075 660623759 /nfs/dbraw/zinc/62/37/59/660623759.db2.gz VMFIPQSORPNPSY-UHFFFAOYSA-N -1 0 354.388 -0.967 20 0 FBADRM O=C(CN1c2ccccc2OCCC1=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750730125 660623732 /nfs/dbraw/zinc/62/37/32/660623732.db2.gz WCSMHRFEXZFWMI-UHFFFAOYSA-N -1 0 369.399 -0.505 20 0 FBADRM CC(=O)N1c2ccccc2C[C@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750730437 660623747 /nfs/dbraw/zinc/62/37/47/660623747.db2.gz XZTROMVRXPAMJI-AWEZNQCLSA-N -1 0 353.400 -0.343 20 0 FBADRM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750730449 660623727 /nfs/dbraw/zinc/62/37/27/660623727.db2.gz YLQORUMXOVXQSC-RYUDHWBXSA-N -1 0 373.431 -0.755 20 0 FBADRM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750730450 660623723 /nfs/dbraw/zinc/62/37/23/660623723.db2.gz YLQORUMXOVXQSC-TXEJJXNPSA-N -1 0 373.431 -0.755 20 0 FBADRM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750730453 660623742 /nfs/dbraw/zinc/62/37/42/660623742.db2.gz YLQORUMXOVXQSC-VXGBXAGGSA-N -1 0 373.431 -0.755 20 0 FBADRM Cc1nc(C(=O)[N-]S(=O)(=O)N2CCOCC2)nn1-c1ccccc1 ZINC000750730473 660623828 /nfs/dbraw/zinc/62/38/28/660623828.db2.gz LVGJDOUNPMHVKR-UHFFFAOYSA-N -1 0 351.388 -0.117 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000750730564 660623766 /nfs/dbraw/zinc/62/37/66/660623766.db2.gz HBSYTUKSFXFBNG-LLVKDONJSA-N -1 0 357.363 -0.055 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000750730579 660623820 /nfs/dbraw/zinc/62/38/20/660623820.db2.gz HBSYTUKSFXFBNG-NSHDSACASA-N -1 0 357.363 -0.055 20 0 FBADRM Cc1c(CC(=O)[N-]S(=O)(=O)N2CCOCC2)nnn1-c1ccccc1 ZINC000750730584 660623809 /nfs/dbraw/zinc/62/38/09/660623809.db2.gz HCCZRVKZVSZMOI-UHFFFAOYSA-N -1 0 365.415 -0.189 20 0 FBADRM Cn1c2ccccc2n(CCC(=O)[N-]S(=O)(=O)N2CCOCC2)c1=O ZINC000750730883 660623744 /nfs/dbraw/zinc/62/37/44/660623744.db2.gz IASZKLOULQWKJV-UHFFFAOYSA-N -1 0 368.415 -0.577 20 0 FBADRM Cc1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cc1S(C)(=O)=O ZINC000750730920 660623761 /nfs/dbraw/zinc/62/37/61/660623761.db2.gz IXGBDGOQGSFWJU-UHFFFAOYSA-N -1 0 362.429 -0.295 20 0 FBADRM Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750731026 660623749 /nfs/dbraw/zinc/62/37/49/660623749.db2.gz KPHGDQMXVYKENF-UHFFFAOYSA-N -1 0 353.404 -0.039 20 0 FBADRM O=C(Cn1ncc2ccccc2c1=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750731049 660623834 /nfs/dbraw/zinc/62/38/34/660623834.db2.gz LBJVDNMTDGKXQB-UHFFFAOYSA-N -1 0 352.372 -0.910 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccc(-n2cnnn2)cc1Cl ZINC000750731176 660623832 /nfs/dbraw/zinc/62/38/32/660623832.db2.gz QECJAVUWSKKEIA-UHFFFAOYSA-N -1 0 372.794 -0.378 20 0 FBADRM CCCCC(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750731177 660623735 /nfs/dbraw/zinc/62/37/35/660623735.db2.gz QFRMYCKKQSDZDW-LLVKDONJSA-N -1 0 365.477 -0.229 20 0 FBADRM CCCCC(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750731178 660623757 /nfs/dbraw/zinc/62/37/57/660623757.db2.gz QFRMYCKKQSDZDW-NSHDSACASA-N -1 0 365.477 -0.229 20 0 FBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750731205 660623816 /nfs/dbraw/zinc/62/38/16/660623816.db2.gz RZHUURRHHRESGY-UHFFFAOYSA-N -1 0 356.360 -0.858 20 0 FBADRM Cc1nn(C)c2nc(C)cc(C(=O)[N-]S(=O)(=O)N3CCOCC3)c12 ZINC000750731240 660623785 /nfs/dbraw/zinc/62/37/85/660623785.db2.gz SULZKACQWDXASM-UHFFFAOYSA-N -1 0 353.404 -0.108 20 0 FBADRM O=C(CCCNC(=O)c1ccsc1)[N-]S(=O)(=O)N1CCOCC1 ZINC000750731266 660623823 /nfs/dbraw/zinc/62/38/23/660623823.db2.gz UDYKXEITRNHEQK-UHFFFAOYSA-N -1 0 361.445 -0.049 20 0 FBADRM Cc1nn(C)c2nc(C)c(C(=O)[N-]S(=O)(=O)N3CCOCC3)cc12 ZINC000750731700 660623782 /nfs/dbraw/zinc/62/37/82/660623782.db2.gz OBEHDYWYCJOHFF-UHFFFAOYSA-N -1 0 353.404 -0.108 20 0 FBADRM CC(=O)N[C@@H](CC(=O)[N-]S(=O)(=O)N1CCOCC1)c1ccccc1 ZINC000750731728 660623762 /nfs/dbraw/zinc/62/37/62/660623762.db2.gz OPWAVTKPFVSUBU-AWEZNQCLSA-N -1 0 355.416 -0.053 20 0 FBADRM CC(=O)N[C@H](CC(=O)[N-]S(=O)(=O)N1CCOCC1)c1ccccc1 ZINC000750731730 660623730 /nfs/dbraw/zinc/62/37/30/660623730.db2.gz OPWAVTKPFVSUBU-CQSZACIVSA-N -1 0 355.416 -0.053 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000750732240 660623825 /nfs/dbraw/zinc/62/38/25/660623825.db2.gz QULWOHUSANITES-UHFFFAOYSA-N -1 0 356.404 -0.443 20 0 FBADRM Cn1nc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c2ccccc2c1=O ZINC000750732279 660623746 /nfs/dbraw/zinc/62/37/46/660623746.db2.gz RUCXFVANRFEPCW-UHFFFAOYSA-N -1 0 352.372 -0.760 20 0 FBADRM O=C(CCn1cc(Br)cn1)[N-]S(=O)(=O)N1CCOCC1 ZINC000750732353 660623813 /nfs/dbraw/zinc/62/38/13/660623813.db2.gz SUCRBVIWTUELJR-UHFFFAOYSA-N -1 0 367.225 -0.271 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000750732544 660623729 /nfs/dbraw/zinc/62/37/29/660623729.db2.gz WCMHDUFSYBDRSA-JTQLQIEISA-N -1 0 359.370 -0.046 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000750732548 660623764 /nfs/dbraw/zinc/62/37/64/660623764.db2.gz WCMHDUFSYBDRSA-SNVBAGLBSA-N -1 0 359.370 -0.046 20 0 FBADRM CCN(CC(=O)[N-]S(=O)(=O)N1CCOCC1)C(=O)OC(C)(C)C ZINC000750732568 660623721 /nfs/dbraw/zinc/62/37/21/660623721.db2.gz WKUIYLJVXJFZEF-UHFFFAOYSA-N -1 0 351.425 -0.063 20 0 FBADRM O=C(CCc1nc2ccccc2c(=O)[nH]1)[N-]S(=O)(=O)N1CCOCC1 ZINC000750732569 660623765 /nfs/dbraw/zinc/62/37/65/660623765.db2.gz WMBMLLSGUILZDI-UHFFFAOYSA-N -1 0 366.399 -0.039 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000750732586 660623719 /nfs/dbraw/zinc/62/37/19/660623719.db2.gz XAVOCARNFZRZFP-GFCCVEGCSA-N -1 0 359.448 -0.139 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000750732588 660623754 /nfs/dbraw/zinc/62/37/54/660623754.db2.gz XAVOCARNFZRZFP-LBPRGKRZSA-N -1 0 359.448 -0.139 20 0 FBADRM O=C(CNC(=O)Cc1cccc(F)c1)[N-]S(=O)(=O)N1CCOCC1 ZINC000750732591 660623750 /nfs/dbraw/zinc/62/37/50/660623750.db2.gz XCTMJVMOUKLCQJ-UHFFFAOYSA-N -1 0 359.379 -0.822 20 0 FBADRM Cc1cccc([C@@H](CC(=O)[N-]S(=O)(=O)N2CCOCC2)NC(N)=O)c1 ZINC000750732680 660623806 /nfs/dbraw/zinc/62/38/06/660623806.db2.gz YFUJNFDBPWXBCN-CYBMUJFWSA-N -1 0 370.431 -0.212 20 0 FBADRM Cc1cccc([C@H](CC(=O)[N-]S(=O)(=O)N2CCOCC2)NC(N)=O)c1 ZINC000750732682 660624266 /nfs/dbraw/zinc/62/42/66/660624266.db2.gz YFUJNFDBPWXBCN-ZDUSSCGKSA-N -1 0 370.431 -0.212 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)N2CCOCC2)nnn1-c1ccccc1 ZINC000750732708 660624262 /nfs/dbraw/zinc/62/42/62/660624262.db2.gz YOOHBPIABUFSNN-UHFFFAOYSA-N -1 0 351.388 -0.117 20 0 FBADRM O=C(CCNC(=O)c1ccc(F)cc1)[N-]S(=O)(=O)N1CCOCC1 ZINC000750732795 660624273 /nfs/dbraw/zinc/62/42/73/660624273.db2.gz ZFOOKJJPIBSPGK-UHFFFAOYSA-N -1 0 359.379 -0.361 20 0 FBADRM NC(=O)N[C@H](CC(=O)[N-]S(=O)(=O)N1CCOCC1)c1ccccc1 ZINC000750732843 660624225 /nfs/dbraw/zinc/62/42/25/660624225.db2.gz ZWMHFUHDKVDQHC-GFCCVEGCSA-N -1 0 356.404 -0.521 20 0 FBADRM NC(=O)N[C@@H](CC(=O)[N-]S(=O)(=O)N1CCOCC1)c1ccccc1 ZINC000750732844 660624202 /nfs/dbraw/zinc/62/42/02/660624202.db2.gz ZWMHFUHDKVDQHC-LBPRGKRZSA-N -1 0 356.404 -0.521 20 0 FBADRM O=C(CN1C(=O)CCC1=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000750875238 660624708 /nfs/dbraw/zinc/62/47/08/660624708.db2.gz PNSRCRJTEYKSSP-UHFFFAOYSA-N -1 0 351.340 -0.299 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)N1CCc2sccc2C1)S(C)(=O)=O ZINC000750882486 660625223 /nfs/dbraw/zinc/62/52/23/660625223.db2.gz QGILXALQLCMAAZ-UHFFFAOYSA-N -1 0 367.474 -0.641 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000750882738 660625160 /nfs/dbraw/zinc/62/51/60/660625160.db2.gz PRGSYKIUECELFJ-CYBMUJFWSA-N -1 0 373.456 -0.166 20 0 FBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000750882741 660625169 /nfs/dbraw/zinc/62/51/69/660625169.db2.gz PRGSYKIUECELFJ-ZDUSSCGKSA-N -1 0 373.456 -0.166 20 0 FBADRM COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000750936729 659864971 /nfs/dbraw/zinc/86/49/71/659864971.db2.gz DVHCPWNAZFVQHR-SSDOTTSWSA-N -1 0 368.820 -0.013 20 0 FBADRM COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000750936750 659864899 /nfs/dbraw/zinc/86/48/99/659864899.db2.gz DVHCPWNAZFVQHR-ZETCQYMHSA-N -1 0 368.820 -0.013 20 0 FBADRM COC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)C1 ZINC000751155023 660628325 /nfs/dbraw/zinc/62/83/25/660628325.db2.gz XLHJRTZRYINZGD-NXEZZACHSA-N -1 0 371.415 -0.092 20 0 FBADRM COC(=O)[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)C1 ZINC000751155029 660628329 /nfs/dbraw/zinc/62/83/29/660628329.db2.gz XLHJRTZRYINZGD-UWVGGRQHSA-N -1 0 371.415 -0.092 20 0 FBADRM COC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)C1 ZINC000751155031 660628360 /nfs/dbraw/zinc/62/83/60/660628360.db2.gz XLHJRTZRYINZGD-VHSXEESVSA-N -1 0 371.415 -0.092 20 0 FBADRM COC(=O)[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)C1 ZINC000751155032 660628342 /nfs/dbraw/zinc/62/83/42/660628342.db2.gz XLHJRTZRYINZGD-ZJUUUORDSA-N -1 0 371.415 -0.092 20 0 FBADRM CC(=O)N1CSC[C@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000751355446 660629638 /nfs/dbraw/zinc/62/96/38/660629638.db2.gz HDNOCHRUTHRGJS-LURJTMIESA-N -1 0 351.435 -0.231 20 0 FBADRM CC(=O)N1CSC[C@@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000751355447 660629569 /nfs/dbraw/zinc/62/95/69/660629569.db2.gz HDNOCHRUTHRGJS-ZCFIWIBFSA-N -1 0 351.435 -0.231 20 0 FBADRM Cn1cc([C@@H](O)CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)cn1 ZINC000751454224 660631097 /nfs/dbraw/zinc/63/10/97/660631097.db2.gz PDOMEKCDSNTXNW-JTQLQIEISA-N -1 0 366.359 -0.819 20 0 FBADRM Cn1cc([C@H](O)CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)cn1 ZINC000751454249 660631080 /nfs/dbraw/zinc/63/10/80/660631080.db2.gz PDOMEKCDSNTXNW-SNVBAGLBSA-N -1 0 366.359 -0.819 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O ZINC000751480353 660631949 /nfs/dbraw/zinc/63/19/49/660631949.db2.gz QMDPEBLWBNUNCD-MRVPVSSYSA-N -1 0 358.376 -0.681 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H]1CC(=O)N(C(C)C)C1=O ZINC000751480363 660631923 /nfs/dbraw/zinc/63/19/23/660631923.db2.gz QMDPEBLWBNUNCD-QMMMGPOBSA-N -1 0 358.376 -0.681 20 0 FBADRM COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCCC(=O)NC(N)=O ZINC000751489822 660631989 /nfs/dbraw/zinc/63/19/89/660631989.db2.gz BCVCNWAZQRDARE-UHFFFAOYSA-N -1 0 364.767 -0.615 20 0 FBADRM CCCCNC(=O)CN1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000751568225 660633247 /nfs/dbraw/zinc/63/32/47/660633247.db2.gz VEPXQBXPRFMMDA-UHFFFAOYSA-N -1 0 351.407 -0.840 20 0 FBADRM NC(=O)Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)nn1 ZINC000751871769 660637257 /nfs/dbraw/zinc/63/72/57/660637257.db2.gz JVQYVLXDAUKXQO-UHFFFAOYSA-N -1 0 357.779 -0.323 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)c(=O)n(C)c1=O ZINC000751871774 660637285 /nfs/dbraw/zinc/63/72/85/660637285.db2.gz KKTSIYFOLNBYFZ-UHFFFAOYSA-N -1 0 371.802 -0.003 20 0 FBADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)c1=O ZINC000751874353 660637287 /nfs/dbraw/zinc/63/72/87/660637287.db2.gz DGFCIMGPRVLMAB-UHFFFAOYSA-N -1 0 371.802 -0.153 20 0 FBADRM Cc1cc(S(N)(=O)=O)cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1C ZINC000751926836 660637694 /nfs/dbraw/zinc/63/76/94/660637694.db2.gz FBYXGVJFBNPUFW-GFCCVEGCSA-N -1 0 366.403 -0.322 20 0 FBADRM Cc1cc(S(N)(=O)=O)cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1C ZINC000751926841 660637699 /nfs/dbraw/zinc/63/76/99/660637699.db2.gz FBYXGVJFBNPUFW-LBPRGKRZSA-N -1 0 366.403 -0.322 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cccc(OC)n2)CC1 ZINC000752174179 660639835 /nfs/dbraw/zinc/63/98/35/660639835.db2.gz FHVNEPXPIUHFHL-UHFFFAOYSA-N -1 0 357.388 -0.050 20 0 FBADRM Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000752185817 660640271 /nfs/dbraw/zinc/64/02/71/660640271.db2.gz QYLZSHIMRHKOGO-UHFFFAOYSA-N -1 0 355.376 -0.310 20 0 FBADRM CCN(CC)C(=O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000752234803 660640276 /nfs/dbraw/zinc/64/02/76/660640276.db2.gz ISYMZNCPIJJYJP-UHFFFAOYSA-N -1 0 355.376 -0.417 20 0 FBADRM COC(=O)N1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000752235876 660640231 /nfs/dbraw/zinc/64/02/31/660640231.db2.gz QBFJUUFDFQBQPN-UHFFFAOYSA-N -1 0 369.359 -0.491 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NCCNc3ncccn3)cc-2c(=O)[n-]1 ZINC000752235938 660640277 /nfs/dbraw/zinc/64/02/77/660640277.db2.gz RSPJLSMJTLBUKU-UHFFFAOYSA-N -1 0 363.359 -0.384 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCC4(C3)OCCO4)cc-2c(=O)[n-]1 ZINC000752246116 660640248 /nfs/dbraw/zinc/64/02/48/660640248.db2.gz CEFLPWRZZUDFNV-UHFFFAOYSA-N -1 0 354.344 -0.427 20 0 FBADRM CNC(=O)C1(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCCC1 ZINC000752246633 660640270 /nfs/dbraw/zinc/64/02/70/660640270.db2.gz GQTWIZYTYSSUBH-UHFFFAOYSA-N -1 0 367.387 -0.227 20 0 FBADRM NC(=O)C1(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCCC1 ZINC000752256330 660640605 /nfs/dbraw/zinc/64/06/05/660640605.db2.gz SOHAOKWPRHAKDA-UHFFFAOYSA-N -1 0 353.360 -0.488 20 0 FBADRM CCN=c1nc2[n-]nc(SCC(=O)N[C@@H]3CCOC3)n2c(NCC)n1 ZINC000752418774 660641428 /nfs/dbraw/zinc/64/14/28/660641428.db2.gz OBZKLKJEYISSEK-SECBINFHSA-N -1 0 366.451 -0.198 20 0 FBADRM CCN=c1nc2[n-]nc(SCC(=O)N[C@H]3CCOC3)n2c(NCC)n1 ZINC000752418786 660641434 /nfs/dbraw/zinc/64/14/34/660641434.db2.gz OBZKLKJEYISSEK-VIFPVBQESA-N -1 0 366.451 -0.198 20 0 FBADRM CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000752471219 660641848 /nfs/dbraw/zinc/64/18/48/660641848.db2.gz PTGSYXWDUJZQSQ-UHFFFAOYSA-N -1 0 360.392 -0.545 20 0 FBADRM CNC(=O)c1cccc(CCC(=O)[N-]S(=O)(=O)N2CCOCC2)c1 ZINC000752502498 660642198 /nfs/dbraw/zinc/64/21/98/660642198.db2.gz CYNPFGLRPVWTOP-UHFFFAOYSA-N -1 0 355.416 -0.328 20 0 FBADRM CNC(=O)c1cccc(CCC(=O)[N-]S(=O)(=O)N(C)CCOC)c1 ZINC000752514546 660642232 /nfs/dbraw/zinc/64/22/32/660642232.db2.gz LWUUXVNHWFDZFJ-UHFFFAOYSA-N -1 0 357.432 -0.082 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CS(C)(=O)=O)cc1Cl ZINC000752608577 660642565 /nfs/dbraw/zinc/64/25/65/660642565.db2.gz PYXDELHXVIENBQ-UHFFFAOYSA-N -1 0 369.804 -0.024 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)ccc1F ZINC000752627828 660642929 /nfs/dbraw/zinc/64/29/29/660642929.db2.gz XACWKZBASZQLHF-JTQLQIEISA-N -1 0 370.366 -0.539 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)ccc1F ZINC000752627830 660642823 /nfs/dbraw/zinc/64/28/23/660642823.db2.gz XACWKZBASZQLHF-SNVBAGLBSA-N -1 0 370.366 -0.539 20 0 FBADRM O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)c1cc(=O)[nH][n-]1 ZINC000752631908 660642827 /nfs/dbraw/zinc/64/28/27/660642827.db2.gz RVLYSRXLEWNEOP-UHFFFAOYSA-N -1 0 350.809 -0.328 20 0 FBADRM O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000752913091 660644486 /nfs/dbraw/zinc/64/44/86/660644486.db2.gz KKQVBSUWMUOIQS-JTQLQIEISA-N -1 0 363.403 -0.597 20 0 FBADRM O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000752913108 660644482 /nfs/dbraw/zinc/64/44/82/660644482.db2.gz KKQVBSUWMUOIQS-SNVBAGLBSA-N -1 0 363.403 -0.597 20 0 FBADRM O=C([C@@H]1CC(=O)N(CC(F)(F)F)C1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000753082210 660645124 /nfs/dbraw/zinc/64/51/24/660645124.db2.gz KREVELIGHDKESN-MRVPVSSYSA-N -1 0 362.312 -0.580 20 0 FBADRM O=C([C@H]1CC(=O)N(CC(F)(F)F)C1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000753082227 660645280 /nfs/dbraw/zinc/64/52/80/660645280.db2.gz KREVELIGHDKESN-QMMMGPOBSA-N -1 0 362.312 -0.580 20 0 FBADRM CS(=O)(=O)CC1(COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCC1 ZINC000753366248 660647912 /nfs/dbraw/zinc/64/79/12/660647912.db2.gz DINGNDYIAONNHW-UHFFFAOYSA-N -1 0 354.388 -0.171 20 0 FBADRM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000753394321 660648285 /nfs/dbraw/zinc/64/82/85/660648285.db2.gz CVFUDPDEGFQYRG-UHFFFAOYSA-N -1 0 365.433 -0.091 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC000753406613 660648327 /nfs/dbraw/zinc/64/83/27/660648327.db2.gz BDJXQTSFJDRFPD-MRVPVSSYSA-N -1 0 368.433 -0.067 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC000753406614 660648321 /nfs/dbraw/zinc/64/83/21/660648321.db2.gz BDJXQTSFJDRFPD-QMMMGPOBSA-N -1 0 368.433 -0.067 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC000753410132 660648217 /nfs/dbraw/zinc/64/82/17/660648217.db2.gz XHWOIOXYRZMMDX-UHFFFAOYSA-N -1 0 353.422 -0.235 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC000753412685 660648726 /nfs/dbraw/zinc/64/87/26/660648726.db2.gz MZKYJRMOSXOFPK-UHFFFAOYSA-N -1 0 368.433 -0.066 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC000753412745 660648701 /nfs/dbraw/zinc/64/87/01/660648701.db2.gz OZABLBOAYZLXNB-UHFFFAOYSA-N -1 0 354.406 -0.456 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000753705722 660650547 /nfs/dbraw/zinc/65/05/47/660650547.db2.gz MSDRHJUGLRKGEC-NEPJUHHUSA-N -1 0 365.415 -0.361 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000753705726 660650489 /nfs/dbraw/zinc/65/04/89/660650489.db2.gz MSDRHJUGLRKGEC-NWDGAFQWSA-N -1 0 365.415 -0.361 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000753705727 660650606 /nfs/dbraw/zinc/65/06/06/660650606.db2.gz MSDRHJUGLRKGEC-RYUDHWBXSA-N -1 0 365.415 -0.361 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000753705729 660650611 /nfs/dbraw/zinc/65/06/11/660650611.db2.gz MSDRHJUGLRKGEC-VXGBXAGGSA-N -1 0 365.415 -0.361 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC000753804267 660118361 /nfs/dbraw/zinc/11/83/61/660118361.db2.gz GXJCIPRTNBROST-UHFFFAOYSA-N -1 0 354.406 -0.456 20 0 FBADRM Cc1oc(C(=O)[N-]S(=O)(=O)N2CCCC2)cc1S(=O)(=O)N(C)C ZINC000753804348 660651201 /nfs/dbraw/zinc/65/12/01/660651201.db2.gz MZJLBPGEDVABIE-UHFFFAOYSA-N -1 0 365.433 -0.091 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC000753807824 660651196 /nfs/dbraw/zinc/65/11/96/660651196.db2.gz WEMIIXCESAEOIR-UHFFFAOYSA-N -1 0 368.433 -0.066 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC000753809293 660651176 /nfs/dbraw/zinc/65/11/76/660651176.db2.gz JWQHYQNTMOGEQJ-UHFFFAOYSA-N -1 0 353.422 -0.235 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC000753810714 660118500 /nfs/dbraw/zinc/11/85/00/660118500.db2.gz PAWNWHUCXZNLAO-MRVPVSSYSA-N -1 0 368.433 -0.067 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC000753810719 660118495 /nfs/dbraw/zinc/11/84/95/660118495.db2.gz PAWNWHUCXZNLAO-QMMMGPOBSA-N -1 0 368.433 -0.067 20 0 FBADRM COc1cc(C)cnc1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000753890811 660652894 /nfs/dbraw/zinc/65/28/94/660652894.db2.gz BAARDZGKQQCQJW-UHFFFAOYSA-N -1 0 352.372 -0.045 20 0 FBADRM CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2cccc3nonc32)n1 ZINC000753924898 660652749 /nfs/dbraw/zinc/65/27/49/660652749.db2.gz XPUWTUSMRRWMJQ-UHFFFAOYSA-N -1 0 351.348 -0.297 20 0 FBADRM COc1cccc(-c2nc(C)c(C(=O)[N-]S(=O)(=O)CC(N)=O)[nH]2)c1 ZINC000753950200 660653309 /nfs/dbraw/zinc/65/33/09/660653309.db2.gz LLCJIALEIWUQDE-UHFFFAOYSA-N -1 0 352.372 -0.061 20 0 FBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000753950529 660653284 /nfs/dbraw/zinc/65/32/84/660653284.db2.gz BQIVONSYGCWCOL-UHFFFAOYSA-N -1 0 365.389 -0.129 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cn1C ZINC000753950590 660653139 /nfs/dbraw/zinc/65/31/39/660653139.db2.gz DLKBLDNTMAJBRD-UHFFFAOYSA-N -1 0 372.384 -0.514 20 0 FBADRM Cc1sc2nc(CCC(=O)[N-]S(=O)(=O)CC(N)=O)[nH]c(=O)c2c1C ZINC000753951424 660653262 /nfs/dbraw/zinc/65/32/62/660653262.db2.gz SSPGNWUKSDFASA-UHFFFAOYSA-N -1 0 372.428 -0.122 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC000754004683 660653587 /nfs/dbraw/zinc/65/35/87/660653587.db2.gz HUGVNXZLIFPRPL-UHFFFAOYSA-N -1 0 367.383 -0.616 20 0 FBADRM CN(CC(=O)NCc1n[nH]c(=O)[n-]1)C1=NS(=O)(=O)c2ccccc21 ZINC000754356335 660657101 /nfs/dbraw/zinc/65/71/01/660657101.db2.gz XDSZGGGDVYUMDQ-UHFFFAOYSA-N -1 0 350.360 -0.793 20 0 FBADRM CCCN(CCC)S(=O)(=O)N1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000754455863 660657980 /nfs/dbraw/zinc/65/79/80/660657980.db2.gz MIQUMVBBLFQZJY-UHFFFAOYSA-N -1 0 359.452 -0.627 20 0 FBADRM CCCS(=O)(=O)[N-]C(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C ZINC000754534941 660658677 /nfs/dbraw/zinc/65/86/77/660658677.db2.gz KHMIINCNQMMDSI-UHFFFAOYSA-N -1 0 368.415 -0.336 20 0 FBADRM CCc1c(C(=O)[N-]S(=O)(=O)CC)cnc2c1c(=O)n(C)c(=O)n2C ZINC000754542876 660658726 /nfs/dbraw/zinc/65/87/26/660658726.db2.gz VOMCMDCPGWYSQQ-UHFFFAOYSA-N -1 0 354.388 -0.726 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2)nn1 ZINC000754551595 660658651 /nfs/dbraw/zinc/65/86/51/660658651.db2.gz BTTXWSRQYOKADS-UHFFFAOYSA-N -1 0 358.420 -0.201 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O ZINC000754635258 660658947 /nfs/dbraw/zinc/65/89/47/660658947.db2.gz ONTMFEPVYVSUNS-UHFFFAOYSA-N -1 0 366.465 -0.759 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)CCN1C(=O)CCC1=O ZINC000754639206 660658964 /nfs/dbraw/zinc/65/89/64/660658964.db2.gz OIWULWDOKZSUFU-UHFFFAOYSA-N -1 0 370.431 -0.111 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000754639990 660659054 /nfs/dbraw/zinc/65/90/54/660659054.db2.gz UGNOBDTXOVSULB-UHFFFAOYSA-N -1 0 369.403 -0.537 20 0 FBADRM Cc1noc(CCC(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)n1 ZINC000754669296 660659356 /nfs/dbraw/zinc/65/93/56/660659356.db2.gz YAEMMOAZAZUVSR-UHFFFAOYSA-N -1 0 363.359 -0.209 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCc1nc(C)no1 ZINC000754669458 660659400 /nfs/dbraw/zinc/65/94/00/660659400.db2.gz OIHHGLDKABBJRQ-JTQLQIEISA-N -1 0 360.392 -0.301 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCc1nc(C)no1 ZINC000754669460 660659403 /nfs/dbraw/zinc/65/94/03/660659403.db2.gz OIHHGLDKABBJRQ-SNVBAGLBSA-N -1 0 360.392 -0.301 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CCc2nc(C)no2)CC1 ZINC000754670128 660659329 /nfs/dbraw/zinc/65/93/29/660659329.db2.gz XZUSPVWQDPOZDQ-UHFFFAOYSA-N -1 0 360.392 -0.443 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c(C(F)F)n1 ZINC000754687769 660659511 /nfs/dbraw/zinc/65/95/11/660659511.db2.gz XZHAZTZQVZPSQV-UHFFFAOYSA-N -1 0 361.330 -0.086 20 0 FBADRM Cn1c2[nH]c(CCC(=O)[N-]S(=O)(=O)C3CCCC3)nc2c(=O)[nH]c1=O ZINC000754743841 660659555 /nfs/dbraw/zinc/65/95/55/660659555.db2.gz SWWJUPUYEDJGSN-UHFFFAOYSA-N -1 0 369.403 -0.317 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)C3CCCC3)nc2n(C)c1=O ZINC000754743864 660659576 /nfs/dbraw/zinc/65/95/76/660659576.db2.gz UNDNEZUCQRIDPR-UHFFFAOYSA-N -1 0 366.399 -0.366 20 0 FBADRM Cn1c(=O)c2cc(C(=O)[N-]S(=O)(=O)C3CCCC3)cnc2n(C)c1=O ZINC000754745674 660659605 /nfs/dbraw/zinc/65/96/05/660659605.db2.gz USELQWXXALFOBN-UHFFFAOYSA-N -1 0 366.399 -0.366 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)C2CCCC2)cc1 ZINC000754745791 660659561 /nfs/dbraw/zinc/65/95/61/660659561.db2.gz YOIXRVRBHNBYLV-UHFFFAOYSA-N -1 0 374.440 -0.052 20 0 FBADRM O=C([N-]S(=O)(=O)C1CCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000754747323 660659877 /nfs/dbraw/zinc/65/98/77/660659877.db2.gz JLKZWBKWUOLLQT-UHFFFAOYSA-N -1 0 359.429 -0.127 20 0 FBADRM COCCOCCS(=O)(=O)Nc1cc(S(N)(=O)=O)ccc1F ZINC000754749050 660659722 /nfs/dbraw/zinc/65/97/22/660659722.db2.gz WKIFFVXFQVZHER-UHFFFAOYSA-N -1 0 356.397 -0.122 20 0 FBADRM Cc1cc(S(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)c(F)cc1F ZINC000754781380 660659856 /nfs/dbraw/zinc/65/98/56/660659856.db2.gz UUBRPTQSOWXTTP-UHFFFAOYSA-N -1 0 373.337 -0.361 20 0 FBADRM Cc1cc(S(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O)c(F)cc1F ZINC000754790455 660659687 /nfs/dbraw/zinc/65/96/87/660659687.db2.gz GBXVEZFWKSDGPR-UHFFFAOYSA-N -1 0 356.372 -0.030 20 0 FBADRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)c(F)cc1F ZINC000754794623 660659881 /nfs/dbraw/zinc/65/98/81/660659881.db2.gz ABHPNDWQZADBKC-UHFFFAOYSA-N -1 0 373.337 -0.211 20 0 FBADRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)c(F)cc1F ZINC000754797318 660659704 /nfs/dbraw/zinc/65/97/04/660659704.db2.gz LWRQKFDDKNXGHX-UHFFFAOYSA-N -1 0 359.314 -0.531 20 0 FBADRM Cc1ncc(S(=O)(=O)NCCS(=O)(=O)N2CCOCC2)s1 ZINC000754802396 660659834 /nfs/dbraw/zinc/65/98/34/660659834.db2.gz DGKUSYZSASRNHD-UHFFFAOYSA-N -1 0 355.463 -0.608 20 0 FBADRM NC(=O)C(NC(=O)c1cccc(I)c1[O-])C(N)=O ZINC000754937849 660660848 /nfs/dbraw/zinc/66/08/48/660660848.db2.gz LALRJZFYBCEWIV-UHFFFAOYSA-N -1 0 363.111 -0.934 20 0 FBADRM COCC[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)nnn2[O-] ZINC000755036684 660661525 /nfs/dbraw/zinc/66/15/25/660661525.db2.gz FPRZWXDXKIXLPR-SECBINFHSA-N -1 0 358.376 -0.085 20 0 FBADRM COCC[C@H](C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)nnn2[O-] ZINC000755036685 660661603 /nfs/dbraw/zinc/66/16/03/660661603.db2.gz FPRZWXDXKIXLPR-VIFPVBQESA-N -1 0 358.376 -0.085 20 0 FBADRM Cn1c(=O)c2cc(C(=O)[N-]S(=O)(=O)CC3CCC3)cnc2n(C)c1=O ZINC000755114288 660661843 /nfs/dbraw/zinc/66/18/43/660661843.db2.gz HJQPXGFJJLHISO-UHFFFAOYSA-N -1 0 366.399 -0.508 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC2CCC2)cc1 ZINC000755114832 660661799 /nfs/dbraw/zinc/66/17/99/660661799.db2.gz HBNGPPYLOHXNRG-UHFFFAOYSA-N -1 0 374.440 -0.195 20 0 FBADRM O=C([N-]S(=O)(=O)CC1CCC1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000755116903 660661778 /nfs/dbraw/zinc/66/17/78/660661778.db2.gz AWLBZHGSCZEPSA-UHFFFAOYSA-N -1 0 359.429 -0.270 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)CC3CCC3)nc2n(C)c1=O ZINC000755117316 660661888 /nfs/dbraw/zinc/66/18/88/660661888.db2.gz HGHDGUQQLXLQGS-UHFFFAOYSA-N -1 0 366.399 -0.508 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)CC1CCC1)S(=O)(=O)c1cccnc1 ZINC000755117424 660661770 /nfs/dbraw/zinc/66/17/70/660661770.db2.gz UVBCXUXXTJVZBJ-UHFFFAOYSA-N -1 0 361.445 -0.052 20 0 FBADRM Cn1c2[nH]c(CCC(=O)[N-]S(=O)(=O)CC3CCC3)nc2c(=O)[nH]c1=O ZINC000755127799 660662203 /nfs/dbraw/zinc/66/22/03/660662203.db2.gz WTTHUHYIXXEZPG-UHFFFAOYSA-N -1 0 369.403 -0.459 20 0 FBADRM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NCc1nnn[n-]1 ZINC000755309484 660663381 /nfs/dbraw/zinc/66/33/81/660663381.db2.gz JGFYTJLIXQVUMZ-SECBINFHSA-N -1 0 353.383 -0.668 20 0 FBADRM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCc1nnn[n-]1 ZINC000755309485 660663334 /nfs/dbraw/zinc/66/33/34/660663334.db2.gz JGFYTJLIXQVUMZ-VIFPVBQESA-N -1 0 353.383 -0.668 20 0 FBADRM O=C(CNC(=O)c1cccc(I)c1[O-])NCCO ZINC000755501540 660664200 /nfs/dbraw/zinc/66/42/00/660664200.db2.gz XBXIGEMENRYNQV-UHFFFAOYSA-N -1 0 364.139 -0.165 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C ZINC000755581150 660664914 /nfs/dbraw/zinc/66/49/14/660664914.db2.gz UPKILSMXASNWRZ-GFCCVEGCSA-N -1 0 370.431 -0.691 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C ZINC000755581173 660664670 /nfs/dbraw/zinc/66/46/70/660664670.db2.gz UPKILSMXASNWRZ-LBPRGKRZSA-N -1 0 370.431 -0.691 20 0 FBADRM Cc1cc(C)c(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c(=O)[nH]1 ZINC000755581842 660664656 /nfs/dbraw/zinc/66/46/56/660664656.db2.gz IELATFSBQSSFMM-UHFFFAOYSA-N -1 0 352.372 -0.040 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc3nnn(C)c3c2)cc1C(N)=O ZINC000755584058 660664729 /nfs/dbraw/zinc/66/47/29/660664729.db2.gz VNWOQESOGPPURB-UHFFFAOYSA-N -1 0 362.371 -0.476 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000755627684 660664820 /nfs/dbraw/zinc/66/48/20/660664820.db2.gz BIHMWQLCTGVCFU-CYBMUJFWSA-N -1 0 370.431 -0.620 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000755627695 660664727 /nfs/dbraw/zinc/66/47/27/660664727.db2.gz BIHMWQLCTGVCFU-ZDUSSCGKSA-N -1 0 370.431 -0.620 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000755639760 660664751 /nfs/dbraw/zinc/66/47/51/660664751.db2.gz SGKKWWKVEUGFEW-CYBMUJFWSA-N -1 0 356.400 -0.001 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000755639775 660664892 /nfs/dbraw/zinc/66/48/92/660664892.db2.gz SGKKWWKVEUGFEW-ZDUSSCGKSA-N -1 0 356.400 -0.001 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC ZINC000755664562 660664841 /nfs/dbraw/zinc/66/48/41/660664841.db2.gz WFAIMSSANHYQBN-NEPJUHHUSA-N -1 0 363.436 -0.904 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC ZINC000755664563 660664747 /nfs/dbraw/zinc/66/47/47/660664747.db2.gz WFAIMSSANHYQBN-NWDGAFQWSA-N -1 0 363.436 -0.904 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC ZINC000755664564 660664714 /nfs/dbraw/zinc/66/47/14/660664714.db2.gz WFAIMSSANHYQBN-RYUDHWBXSA-N -1 0 363.436 -0.904 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC ZINC000755664565 660664917 /nfs/dbraw/zinc/66/49/17/660664917.db2.gz WFAIMSSANHYQBN-VXGBXAGGSA-N -1 0 363.436 -0.904 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000755669114 660665024 /nfs/dbraw/zinc/66/50/24/660665024.db2.gz CLLZKXMRRLTFKC-CYBMUJFWSA-N -1 0 355.416 -0.380 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000755669117 660665060 /nfs/dbraw/zinc/66/50/60/660665060.db2.gz CLLZKXMRRLTFKC-ZDUSSCGKSA-N -1 0 355.416 -0.380 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000755685353 660665033 /nfs/dbraw/zinc/66/50/33/660665033.db2.gz BUUBKLUADIENJW-AWEZNQCLSA-N -1 0 367.427 -0.502 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000755685357 660665075 /nfs/dbraw/zinc/66/50/75/660665075.db2.gz BUUBKLUADIENJW-CQSZACIVSA-N -1 0 367.427 -0.502 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H](C)n1nnnc1C(C)(C)C ZINC000755687257 660665077 /nfs/dbraw/zinc/66/50/77/660665077.db2.gz PXCRKKBXMNJZLF-SECBINFHSA-N -1 0 361.424 -0.069 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H](C)n1nnnc1C(C)(C)C ZINC000755687258 660665172 /nfs/dbraw/zinc/66/51/72/660665172.db2.gz PXCRKKBXMNJZLF-VIFPVBQESA-N -1 0 361.424 -0.069 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000755687472 660665122 /nfs/dbraw/zinc/66/51/22/660665122.db2.gz SLWQOWGRHGIPPG-AWEZNQCLSA-N -1 0 369.443 -0.086 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000755687473 660665050 /nfs/dbraw/zinc/66/50/50/660665050.db2.gz SLWQOWGRHGIPPG-CQSZACIVSA-N -1 0 369.443 -0.086 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000755707194 660665457 /nfs/dbraw/zinc/66/54/57/660665457.db2.gz JTEATEOLZRXMKB-GFCCVEGCSA-N -1 0 357.388 -0.444 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccnc(O[C@H]2CCOC2)c1 ZINC000755707197 660665371 /nfs/dbraw/zinc/66/53/71/660665371.db2.gz JTEATEOLZRXMKB-LBPRGKRZSA-N -1 0 357.388 -0.444 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000755731794 660665462 /nfs/dbraw/zinc/66/54/62/660665462.db2.gz VLUNNDGHGVAPOY-GFCCVEGCSA-N -1 0 359.404 -0.198 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000755731795 660665494 /nfs/dbraw/zinc/66/54/94/660665494.db2.gz VLUNNDGHGVAPOY-LBPRGKRZSA-N -1 0 359.404 -0.198 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H](C)n1nnnc1C(C)(C)C ZINC000755738724 660665880 /nfs/dbraw/zinc/66/58/80/660665880.db2.gz BQASSCSCWLYVJY-JTQLQIEISA-N -1 0 363.440 -0.359 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H](C)n1nnnc1C(C)(C)C ZINC000755738728 660665709 /nfs/dbraw/zinc/66/57/09/660665709.db2.gz BQASSCSCWLYVJY-SNVBAGLBSA-N -1 0 363.440 -0.359 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000755740816 660665904 /nfs/dbraw/zinc/66/59/04/660665904.db2.gz PCYDUHGGVDIJRX-CYBMUJFWSA-N -1 0 374.415 -0.028 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000755740817 660665688 /nfs/dbraw/zinc/66/56/88/660665688.db2.gz PCYDUHGGVDIJRX-ZDUSSCGKSA-N -1 0 374.415 -0.028 20 0 FBADRM O=C(CCc1ccncn1)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000755743511 660665698 /nfs/dbraw/zinc/66/56/98/660665698.db2.gz GOPVGRGXIKLZFV-UHFFFAOYSA-N -1 0 359.371 -0.110 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000755756612 660665791 /nfs/dbraw/zinc/66/57/91/660665791.db2.gz MPLYICKYHCJMLW-MRVPVSSYSA-N -1 0 363.421 -0.978 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000755756614 660665914 /nfs/dbraw/zinc/66/59/14/660665914.db2.gz MPLYICKYHCJMLW-QMMMGPOBSA-N -1 0 363.421 -0.978 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2CC)nc1 ZINC000755758812 660665864 /nfs/dbraw/zinc/66/58/64/660665864.db2.gz LGCGXWWQXMEKMX-GFCCVEGCSA-N -1 0 371.415 -0.216 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2CC)nc1 ZINC000755758815 660665820 /nfs/dbraw/zinc/66/58/20/660665820.db2.gz LGCGXWWQXMEKMX-LBPRGKRZSA-N -1 0 371.415 -0.216 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CCc2ccncn2)CC1 ZINC000755761583 660665765 /nfs/dbraw/zinc/66/57/65/660665765.db2.gz LOVPUXFOAVENSC-UHFFFAOYSA-N -1 0 356.404 -0.345 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCc1ccncn1 ZINC000755777811 660665813 /nfs/dbraw/zinc/66/58/13/660665813.db2.gz DYMKHWYRYFFRKG-GFCCVEGCSA-N -1 0 356.404 -0.202 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCc1ccncn1 ZINC000755777812 660665871 /nfs/dbraw/zinc/66/58/71/660665871.db2.gz DYMKHWYRYFFRKG-LBPRGKRZSA-N -1 0 356.404 -0.202 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000755808775 660666153 /nfs/dbraw/zinc/66/61/53/660666153.db2.gz DNFLOQCVVMSSSQ-CYBMUJFWSA-N -1 0 355.416 -0.428 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000755808777 660666360 /nfs/dbraw/zinc/66/63/60/660666360.db2.gz DNFLOQCVVMSSSQ-ZDUSSCGKSA-N -1 0 355.416 -0.428 20 0 FBADRM CCn1c(=O)c2ccc(C(=O)N[C@@H](CO)C(=O)OC)cc2[n-]c1=S ZINC000755846993 660666287 /nfs/dbraw/zinc/66/62/87/660666287.db2.gz FTDZLHWCKVZXJR-NSHDSACASA-N -1 0 351.384 -0.031 20 0 FBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)s1 ZINC000755864892 660666522 /nfs/dbraw/zinc/66/65/22/660666522.db2.gz DYZNCTNACFMVCD-CYBMUJFWSA-N -1 0 372.428 -0.023 20 0 FBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)s1 ZINC000755864894 660666620 /nfs/dbraw/zinc/66/66/20/660666620.db2.gz DYZNCTNACFMVCD-ZDUSSCGKSA-N -1 0 372.428 -0.023 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000755869916 660666659 /nfs/dbraw/zinc/66/66/59/660666659.db2.gz WSCHIKXECCRKCV-AWEZNQCLSA-N -1 0 369.443 -0.086 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000755869918 660666581 /nfs/dbraw/zinc/66/65/81/660666581.db2.gz WSCHIKXECCRKCV-CQSZACIVSA-N -1 0 369.443 -0.086 20 0 FBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)CCN2CCCS2(=O)=O)s1 ZINC000755873929 660666547 /nfs/dbraw/zinc/66/65/47/660666547.db2.gz AEUCSOQWYHVAJM-UHFFFAOYSA-N -1 0 353.447 -0.318 20 0 FBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)s1 ZINC000755875277 660666653 /nfs/dbraw/zinc/66/66/53/660666653.db2.gz VJZYJMYHOKFXPE-PLNGDYQASA-N -1 0 370.412 -0.633 20 0 FBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)s1 ZINC000755875282 660666509 /nfs/dbraw/zinc/66/65/09/660666509.db2.gz VJZYJMYHOKFXPE-SNAWJCMRSA-N -1 0 370.412 -0.633 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000755877438 660666557 /nfs/dbraw/zinc/66/65/57/660666557.db2.gz RCBVNRUWLVZNKW-JTQLQIEISA-N -1 0 374.444 -0.616 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000755877443 660666656 /nfs/dbraw/zinc/66/66/56/660666656.db2.gz RCBVNRUWLVZNKW-SNVBAGLBSA-N -1 0 374.444 -0.616 20 0 FBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2S(C)(=O)=O)s1 ZINC000755878679 660388372 /nfs/dbraw/zinc/38/83/72/660388372.db2.gz ZGLJDNDBNHXIFA-MRVPVSSYSA-N -1 0 353.447 -0.320 20 0 FBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2S(C)(=O)=O)s1 ZINC000755878693 660388337 /nfs/dbraw/zinc/38/83/37/660388337.db2.gz ZGLJDNDBNHXIFA-QMMMGPOBSA-N -1 0 353.447 -0.320 20 0 FBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)Cn2cnc3c(cnn3C)c2=O)s1 ZINC000755897097 660666667 /nfs/dbraw/zinc/66/66/67/660666667.db2.gz HORJSMHZDPVEOO-UHFFFAOYSA-N -1 0 368.400 -0.600 20 0 FBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)c2cn(CC(=O)N(C)C)nn2)s1 ZINC000755899796 660666526 /nfs/dbraw/zinc/66/65/26/660666526.db2.gz RYSAVISRQWAZCN-UHFFFAOYSA-N -1 0 358.405 -0.750 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000755900235 660389543 /nfs/dbraw/zinc/38/95/43/660389543.db2.gz NWKTYXQJLVUJKX-UHFFFAOYSA-N -1 0 355.463 -0.072 20 0 FBADRM COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000755958102 660667892 /nfs/dbraw/zinc/66/78/92/660667892.db2.gz RQCSSGATTNELIY-UHFFFAOYSA-N -1 0 365.751 -0.999 20 0 FBADRM CCc1ccc(S(=O)(=O)[N-]C(=O)CN2CCN(CC)C(=O)C2=O)cc1 ZINC000755969324 660667714 /nfs/dbraw/zinc/66/77/14/660667714.db2.gz GPWJUQXLPYWFQR-UHFFFAOYSA-N -1 0 367.427 -0.255 20 0 FBADRM CCc1ccc(S(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)cc1 ZINC000755970047 660667815 /nfs/dbraw/zinc/66/78/15/660667815.db2.gz NSIRFXWXYDWUAB-UHFFFAOYSA-N -1 0 351.384 -0.386 20 0 FBADRM CCc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000755987226 660667613 /nfs/dbraw/zinc/66/76/13/660667613.db2.gz WUBIUFQHXBBPJB-UHFFFAOYSA-N -1 0 351.384 -0.235 20 0 FBADRM COC(=O)c1cccc(NC(=O)C(=O)[N-]OCC(N)=O)c1Br ZINC000756196977 660669202 /nfs/dbraw/zinc/66/92/02/660669202.db2.gz LJDKWAJBHNDYTH-UHFFFAOYSA-N -1 0 374.147 -0.293 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-][C@@]2(C(=O)OC)CCOC2)CC1 ZINC000756213214 660669588 /nfs/dbraw/zinc/66/95/88/660669588.db2.gz BFLYIPZMNYUBRL-AWEZNQCLSA-N -1 0 364.420 -0.141 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-][C@]2(C(=O)OC)CCOC2)CC1 ZINC000756213215 660669532 /nfs/dbraw/zinc/66/95/32/660669532.db2.gz BFLYIPZMNYUBRL-CQSZACIVSA-N -1 0 364.420 -0.141 20 0 FBADRM CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000756217010 660669637 /nfs/dbraw/zinc/66/96/37/660669637.db2.gz HTFLYFJZEDXEGM-UHFFFAOYSA-N -1 0 358.420 -0.423 20 0 FBADRM Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1 ZINC000756274819 660669832 /nfs/dbraw/zinc/66/98/32/660669832.db2.gz GAUACVQURGSWIL-UHFFFAOYSA-N -1 0 356.385 -0.597 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C(N)=O)cn2C)cc1C(N)=O ZINC000756275940 660669953 /nfs/dbraw/zinc/66/99/53/660669953.db2.gz QPUXVDXVMALAFM-UHFFFAOYSA-N -1 0 364.383 -0.350 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cn1C ZINC000756277029 660669926 /nfs/dbraw/zinc/66/99/26/660669926.db2.gz VOZUEVVYQIJEFM-JTQLQIEISA-N -1 0 372.403 -0.874 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cn1C ZINC000756277030 660669931 /nfs/dbraw/zinc/66/99/31/660669931.db2.gz VOZUEVVYQIJEFM-SNVBAGLBSA-N -1 0 372.403 -0.874 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)co1 ZINC000756520185 660672307 /nfs/dbraw/zinc/67/23/07/660672307.db2.gz UQSAJHSSRRKLJT-UHFFFAOYSA-N -1 0 362.389 -0.618 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)N2CCCC2)co1 ZINC000756521736 660672238 /nfs/dbraw/zinc/67/22/38/660672238.db2.gz FWOWJXYKVSNUEM-UHFFFAOYSA-N -1 0 351.406 -0.400 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)N2CCCCC2)co1 ZINC000756530106 660672310 /nfs/dbraw/zinc/67/23/10/660672310.db2.gz RWYWJIXHCOWIAM-UHFFFAOYSA-N -1 0 365.433 -0.010 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000756547221 660672358 /nfs/dbraw/zinc/67/23/58/660672358.db2.gz KEMRHADKFFNVSN-UHFFFAOYSA-N -1 0 353.422 -0.155 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000756555557 660672367 /nfs/dbraw/zinc/67/23/67/660672367.db2.gz YSBSIVZDYXZOMZ-UHFFFAOYSA-N -1 0 354.406 -0.374 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000756566137 660672339 /nfs/dbraw/zinc/67/23/39/660672339.db2.gz YPPBVSLHQRFXES-MRVPVSSYSA-N -1 0 354.406 -0.376 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000756566209 660672314 /nfs/dbraw/zinc/67/23/14/660672314.db2.gz YPPBVSLHQRFXES-QMMMGPOBSA-N -1 0 354.406 -0.376 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)Cc2ccon2)co1 ZINC000756572031 660672278 /nfs/dbraw/zinc/67/22/78/660672278.db2.gz RVHNUTNUHQTNAD-UHFFFAOYSA-N -1 0 363.373 -0.222 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cnccn2)co1 ZINC000756573212 660672348 /nfs/dbraw/zinc/67/23/48/660672348.db2.gz NRESSRZYKQJMJQ-UHFFFAOYSA-N -1 0 360.373 -0.561 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000756573225 660672317 /nfs/dbraw/zinc/67/23/17/660672317.db2.gz NWSITUNPNSURRW-UHFFFAOYSA-N -1 0 353.422 -0.154 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000756575709 660672440 /nfs/dbraw/zinc/67/24/40/660672440.db2.gz XXNQAPOYLRDCFH-UHFFFAOYSA-N -1 0 369.421 -0.917 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cccc(-n2ccnn2)c1 ZINC000756580629 660672739 /nfs/dbraw/zinc/67/27/39/660672739.db2.gz QZEVRDOOXHTRBN-UHFFFAOYSA-N -1 0 354.388 -0.010 20 0 FBADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)c2cncc(Cl)c2)c1=O ZINC000756586309 660672744 /nfs/dbraw/zinc/67/27/44/660672744.db2.gz QPXRGOXMPOIGEW-UHFFFAOYSA-N -1 0 358.763 -0.900 20 0 FBADRM O=C(CCN1CCCS1(=O)=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000756587423 660672743 /nfs/dbraw/zinc/67/27/43/660672743.db2.gz FNIAPMDAXXALNR-UHFFFAOYSA-N -1 0 367.836 -0.035 20 0 FBADRM O=C(CCCN1C(=O)CNC1=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000756588864 660672735 /nfs/dbraw/zinc/67/27/35/660672735.db2.gz QGZZPWGQNGBYLS-UHFFFAOYSA-N -1 0 360.779 -0.128 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2cncc(Cl)c2)nn1 ZINC000756595070 660672764 /nfs/dbraw/zinc/67/27/64/660672764.db2.gz SMUKIVZLNJTQTF-UHFFFAOYSA-N -1 0 372.794 -0.467 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cncc(Cl)c2)c(=O)n(C)c1=O ZINC000756595803 660672772 /nfs/dbraw/zinc/67/27/72/660672772.db2.gz YAQZJDAHUGJZHI-UHFFFAOYSA-N -1 0 358.763 -0.749 20 0 FBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000756598520 660672692 /nfs/dbraw/zinc/67/26/92/660672692.db2.gz MJIDLRRNBHLEQV-JTQLQIEISA-N -1 0 367.836 -0.036 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000756598521 660672738 /nfs/dbraw/zinc/67/27/38/660672738.db2.gz MJIDLRRNBHLEQV-SNVBAGLBSA-N -1 0 367.836 -0.036 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2cncc(Cl)c2)C(=O)C1=O ZINC000756599048 660672737 /nfs/dbraw/zinc/67/27/37/660672737.db2.gz NWBLLYTVSLJEKT-UHFFFAOYSA-N -1 0 374.806 -0.769 20 0 FBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000756602677 660672745 /nfs/dbraw/zinc/67/27/45/660672745.db2.gz WFNRBVBJBBAXFO-UHFFFAOYSA-N -1 0 353.809 -0.425 20 0 FBADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)C(C)(C)O)ncnc1-2 ZINC000756832495 660674548 /nfs/dbraw/zinc/67/45/48/660674548.db2.gz RPXLIFOMGDZDOP-UHFFFAOYSA-N -1 0 357.212 -0.202 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N(CCO)CCOCC(F)(F)F ZINC000757117086 660675704 /nfs/dbraw/zinc/67/57/04/660675704.db2.gz KFNOCPJJOQHKGR-UHFFFAOYSA-N -1 0 363.296 -0.529 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)N(C)CCOC)C1=O ZINC000757314151 660676535 /nfs/dbraw/zinc/67/65/35/660676535.db2.gz AJJNNAANNCXRMM-UHFFFAOYSA-N -1 0 364.424 -0.964 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)nc1 ZINC000757314706 660676560 /nfs/dbraw/zinc/67/65/60/660676560.db2.gz CXCGHUFPNLFEGI-UHFFFAOYSA-N -1 0 358.420 -0.529 20 0 FBADRM CCOC(=O)N1CCC(C(=O)[N-]S(=O)(=O)N(C)CCOC)CC1 ZINC000757315506 660676614 /nfs/dbraw/zinc/67/66/14/660676614.db2.gz GXOLZDXHIGMBEX-UHFFFAOYSA-N -1 0 351.425 -0.206 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cn1cc(Br)cn1 ZINC000757315525 660676699 /nfs/dbraw/zinc/67/66/99/660676699.db2.gz HEASHIINHKIPMJ-UHFFFAOYSA-N -1 0 355.214 -0.415 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cn1ncc2ccccc2c1=O ZINC000757315574 660676688 /nfs/dbraw/zinc/67/66/88/660676688.db2.gz IPBYVQWBOCLXJA-UHFFFAOYSA-N -1 0 354.388 -0.664 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000757316756 660676676 /nfs/dbraw/zinc/67/66/76/660676676.db2.gz NDBUXNPIERRBNW-UHFFFAOYSA-N -1 0 370.387 -0.959 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000757316794 660676704 /nfs/dbraw/zinc/67/67/04/660676704.db2.gz CVNXNEZJAHUVOZ-UHFFFAOYSA-N -1 0 368.415 -0.321 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000757316873 660676611 /nfs/dbraw/zinc/67/66/11/660676611.db2.gz OHYQNQNKBCFJHS-JTQLQIEISA-N -1 0 367.493 -0.127 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC000757316874 660676532 /nfs/dbraw/zinc/67/65/32/660676532.db2.gz OHYQNQNKBCFJHS-SNVBAGLBSA-N -1 0 367.493 -0.127 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccccc1 ZINC000757316894 660676661 /nfs/dbraw/zinc/67/66/61/660676661.db2.gz OTWNBTARGMTRGC-UHFFFAOYSA-N -1 0 357.432 -0.325 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cc2c([nH]c1=O)CCCC2=O ZINC000757317528 660676710 /nfs/dbraw/zinc/67/67/10/660676710.db2.gz RQHZWNCFKMEYPY-UHFFFAOYSA-N -1 0 357.388 -0.141 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CN1c2ccccc2O[C@H](C)C1=O ZINC000757317708 660676656 /nfs/dbraw/zinc/67/66/56/660676656.db2.gz UJIPUYDFRUNDAK-LLVKDONJSA-N -1 0 371.415 -0.260 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000757317715 660676542 /nfs/dbraw/zinc/67/65/42/660676542.db2.gz UJIPUYDFRUNDAK-NSHDSACASA-N -1 0 371.415 -0.260 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CN1C(=O)CCc2ccccc21 ZINC000757317822 660676533 /nfs/dbraw/zinc/67/65/33/660676533.db2.gz VQVHFBMENFKUKO-UHFFFAOYSA-N -1 0 355.416 -0.095 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2N1C(C)=O ZINC000757318392 660676665 /nfs/dbraw/zinc/67/66/65/660676665.db2.gz WFUIKSUKWGITCI-AWEZNQCLSA-N -1 0 355.416 -0.097 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)n1 ZINC000757318454 660676696 /nfs/dbraw/zinc/67/66/96/660676696.db2.gz IIAKMWGGTBHRNF-UHFFFAOYSA-N -1 0 353.404 -0.251 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000757318458 660676538 /nfs/dbraw/zinc/67/65/38/660676538.db2.gz ILDLADNHIOXFJG-GFCCVEGCSA-N -1 0 357.388 -0.285 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000757318460 660676545 /nfs/dbraw/zinc/67/65/45/660676545.db2.gz ILDLADNHIOXFJG-LBPRGKRZSA-N -1 0 357.388 -0.285 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCNC(=O)OCC(F)(F)F ZINC000757319258 660676683 /nfs/dbraw/zinc/67/66/83/660676683.db2.gz MLRWEEYXRQEEKL-UHFFFAOYSA-N -1 0 365.330 -0.396 20 0 FBADRM CCOC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)N(C)CCOC)C1 ZINC000757320168 660677060 /nfs/dbraw/zinc/67/70/60/660677060.db2.gz RCULMGQJRRQKRW-LLVKDONJSA-N -1 0 351.425 -0.206 20 0 FBADRM CCOC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)N(C)CCOC)C1 ZINC000757320169 660677000 /nfs/dbraw/zinc/67/70/00/660677000.db2.gz RCULMGQJRRQKRW-NSHDSACASA-N -1 0 351.425 -0.206 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000757321539 660676991 /nfs/dbraw/zinc/67/69/91/660676991.db2.gz BSDLRTQACDYVKX-LLVKDONJSA-N -1 0 359.404 -0.433 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000757321552 660677063 /nfs/dbraw/zinc/67/70/63/660677063.db2.gz BSDLRTQACDYVKX-NSHDSACASA-N -1 0 359.404 -0.433 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000757321577 660677018 /nfs/dbraw/zinc/67/70/18/660677018.db2.gz CILFURXTUHJCIP-UHFFFAOYSA-N -1 0 371.415 -0.111 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccccc1Cn1cncn1 ZINC000757321642 660677050 /nfs/dbraw/zinc/67/70/50/660677050.db2.gz XQRCJMHFZJNKJX-UHFFFAOYSA-N -1 0 353.404 -0.121 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000757322494 660677032 /nfs/dbraw/zinc/67/70/32/660677032.db2.gz GUALFSSHDLFOEG-LLVKDONJSA-N -1 0 368.419 -0.160 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)n1nnc(-c2ccccc2)n1 ZINC000757322498 660676992 /nfs/dbraw/zinc/67/69/92/660676992.db2.gz GUALFSSHDLFOEG-NSHDSACASA-N -1 0 368.419 -0.160 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000757322591 660676996 /nfs/dbraw/zinc/67/69/96/660676996.db2.gz HZVSQFKLUJSJAZ-UHFFFAOYSA-N -1 0 350.418 -0.357 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000757323093 660677009 /nfs/dbraw/zinc/67/70/09/660677009.db2.gz INFGOCUNOKSXHN-UHFFFAOYSA-N -1 0 358.420 -0.197 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000757323374 660677007 /nfs/dbraw/zinc/67/70/07/660677007.db2.gz JPGMQUMBGNHMLA-UHFFFAOYSA-N -1 0 364.445 -0.216 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CNC(=O)Cc1cccc(F)c1 ZINC000757323384 660676994 /nfs/dbraw/zinc/67/69/94/660676994.db2.gz JSGWFGACZXMACQ-UHFFFAOYSA-N -1 0 361.395 -0.576 20 0 FBADRM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000757324892 660677056 /nfs/dbraw/zinc/67/70/56/660677056.db2.gz RNVLBZRDFWMZRW-GHMZBOCLSA-N -1 0 365.477 -0.373 20 0 FBADRM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000757324896 660677021 /nfs/dbraw/zinc/67/70/21/660677021.db2.gz RNVLBZRDFWMZRW-MNOVXSKESA-N -1 0 365.477 -0.373 20 0 FBADRM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000757324899 660676997 /nfs/dbraw/zinc/67/69/97/660676997.db2.gz RNVLBZRDFWMZRW-QWRGUYRKSA-N -1 0 365.477 -0.373 20 0 FBADRM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000757324903 660676987 /nfs/dbraw/zinc/67/69/87/660676987.db2.gz RNVLBZRDFWMZRW-WDEREUQCSA-N -1 0 365.477 -0.373 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C)c(S(C)(=O)=O)c1 ZINC000757325335 660676998 /nfs/dbraw/zinc/67/69/98/660676998.db2.gz RFHXMKXVKOFLEU-UHFFFAOYSA-N -1 0 364.445 -0.049 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000757326240 660677035 /nfs/dbraw/zinc/67/70/35/660677035.db2.gz VEIGLHJGQMVFDB-UHFFFAOYSA-N -1 0 357.367 -0.041 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCS(=O)(=O)C1CCCC1 ZINC000757326245 660677011 /nfs/dbraw/zinc/67/70/11/660677011.db2.gz VFADRZXICPNTOG-UHFFFAOYSA-N -1 0 356.466 -0.327 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cn1cnc2c(C)cccc2c1=O ZINC000757328148 660677028 /nfs/dbraw/zinc/67/70/28/660677028.db2.gz AXZNYFMUUNCURT-UHFFFAOYSA-N -1 0 368.415 -0.356 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CSc1nncn1C(C)C ZINC000757328187 660677033 /nfs/dbraw/zinc/67/70/33/660677033.db2.gz BFRGRJYOHVKPAP-UHFFFAOYSA-N -1 0 351.454 -0.110 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccccc1SCC(N)=O ZINC000757328231 660677015 /nfs/dbraw/zinc/67/70/15/660677015.db2.gz BSWWUQCBWZPZKB-UHFFFAOYSA-N -1 0 361.445 -0.183 20 0 FBADRM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000757328244 660677004 /nfs/dbraw/zinc/67/70/04/660677004.db2.gz BWKAIAHTTYLYRO-GHMZBOCLSA-N -1 0 367.493 -0.127 20 0 FBADRM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000757328246 660677014 /nfs/dbraw/zinc/67/70/14/660677014.db2.gz BWKAIAHTTYLYRO-MNOVXSKESA-N -1 0 367.493 -0.127 20 0 FBADRM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000757328249 660677002 /nfs/dbraw/zinc/67/70/02/660677002.db2.gz BWKAIAHTTYLYRO-QWRGUYRKSA-N -1 0 367.493 -0.127 20 0 FBADRM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000757328251 660677067 /nfs/dbraw/zinc/67/70/67/660677067.db2.gz BWKAIAHTTYLYRO-WDEREUQCSA-N -1 0 367.493 -0.127 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCc1c(C)nc2ncnn2c1C ZINC000757329367 660677025 /nfs/dbraw/zinc/67/70/25/660677025.db2.gz AWLGBFMNLOXLLL-UHFFFAOYSA-N -1 0 370.435 -0.387 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cn(Cc2ccccc2)nn1 ZINC000757329391 660677362 /nfs/dbraw/zinc/67/73/62/660677362.db2.gz BEFYMMIIDBUBSU-UHFFFAOYSA-N -1 0 353.404 -0.121 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000757329407 660677282 /nfs/dbraw/zinc/67/72/82/660677282.db2.gz BJRACCFJKACNKD-UHFFFAOYSA-N -1 0 364.424 -0.964 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000757329417 660677415 /nfs/dbraw/zinc/67/74/15/660677415.db2.gz BPGFOOHDTPFHCZ-UHFFFAOYSA-N -1 0 364.445 -0.216 20 0 FBADRM CNC(=O)c1cncc(/C=C\C(=O)[N-]S(=O)(=O)N(C)CCOC)c1 ZINC000757329456 660677245 /nfs/dbraw/zinc/67/72/45/660677245.db2.gz CAVUJIJYNBAPJK-PLNGDYQASA-N -1 0 356.404 -0.606 20 0 FBADRM CNC(=O)c1cncc(/C=C/C(=O)[N-]S(=O)(=O)N(C)CCOC)c1 ZINC000757329467 660677330 /nfs/dbraw/zinc/67/73/30/660677330.db2.gz CAVUJIJYNBAPJK-SNAWJCMRSA-N -1 0 356.404 -0.606 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCn1nnc2ccccc2c1=O ZINC000757330437 660677398 /nfs/dbraw/zinc/67/73/98/660677398.db2.gz JMVMAYWYLDQLQB-UHFFFAOYSA-N -1 0 369.403 -0.879 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000757330481 660677277 /nfs/dbraw/zinc/67/72/77/660677277.db2.gz FDYOBMQRXYMTFS-UHFFFAOYSA-N -1 0 356.404 -0.231 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCn1cnc2sccc2c1=O ZINC000757330548 660677452 /nfs/dbraw/zinc/67/74/52/660677452.db2.gz FTBJHNUASWJNCT-UHFFFAOYSA-N -1 0 374.444 -0.213 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cccc2c1O[C@H](C)C(=O)N2 ZINC000757330716 660677289 /nfs/dbraw/zinc/67/72/89/660677289.db2.gz MBYOIEZHHWSPIR-SECBINFHSA-N -1 0 357.388 -0.041 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cccc2c1O[C@@H](C)C(=O)N2 ZINC000757330718 660677356 /nfs/dbraw/zinc/67/73/56/660677356.db2.gz MBYOIEZHHWSPIR-VIFPVBQESA-N -1 0 357.388 -0.041 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000757330731 660677462 /nfs/dbraw/zinc/67/74/62/660677462.db2.gz HSTQUSYNQPPPGV-UHFFFAOYSA-N -1 0 364.445 -0.049 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000757331148 660677368 /nfs/dbraw/zinc/67/73/68/660677368.db2.gz IPKFBNAIOZOKFR-BXKDBHETSA-N -1 0 351.450 -0.620 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000757331156 660677403 /nfs/dbraw/zinc/67/74/03/660677403.db2.gz IPKFBNAIOZOKFR-CABZTGNLSA-N -1 0 351.450 -0.620 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000757331158 660677256 /nfs/dbraw/zinc/67/72/56/660677256.db2.gz IPKFBNAIOZOKFR-JOYOIKCWSA-N -1 0 351.450 -0.620 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000757331160 660677250 /nfs/dbraw/zinc/67/72/50/660677250.db2.gz IPKFBNAIOZOKFR-SKDRFNHKSA-N -1 0 351.450 -0.620 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CN1c2ccccc2OCCC1=O ZINC000757331426 660677425 /nfs/dbraw/zinc/67/74/25/660677425.db2.gz KEVJIQCVFLDEHZ-UHFFFAOYSA-N -1 0 371.415 -0.259 20 0 FBADRM CCC(=O)N[C@@H](CCSC)C(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000757331727 660677419 /nfs/dbraw/zinc/67/74/19/660677419.db2.gz LMEYWAONQDOBAG-JTQLQIEISA-N -1 0 355.482 -0.427 20 0 FBADRM CCC(=O)N[C@H](CCSC)C(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000757331771 660677374 /nfs/dbraw/zinc/67/73/74/660677374.db2.gz LMEYWAONQDOBAG-SNVBAGLBSA-N -1 0 355.482 -0.427 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000757332035 660677295 /nfs/dbraw/zinc/67/72/95/660677295.db2.gz QGPXZOCMBGQCIQ-UHFFFAOYSA-N -1 0 369.421 -0.917 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)OC)cc1 ZINC000757332154 660677433 /nfs/dbraw/zinc/67/74/33/660677433.db2.gz NTKHLYHMEWXGJR-UHFFFAOYSA-N -1 0 360.388 -0.209 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)COCCNC(=O)OC(C)(C)C ZINC000757332334 660677444 /nfs/dbraw/zinc/67/74/44/660677444.db2.gz ROHAJCXSTQAONJ-UHFFFAOYSA-N -1 0 369.440 -0.533 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCn1c(C)c(C)sc1=O ZINC000757332353 660677484 /nfs/dbraw/zinc/67/74/84/660677484.db2.gz PFOMEPYRHCRBTK-UHFFFAOYSA-N -1 0 351.450 -0.144 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000757332608 660677240 /nfs/dbraw/zinc/67/72/40/660677240.db2.gz ADTQZGRUGUQRQH-UHFFFAOYSA-N -1 0 354.392 -0.856 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nnnn1C1CC1 ZINC000757332628 660677440 /nfs/dbraw/zinc/67/74/40/660677440.db2.gz ASRCJWQMFKFVCV-MRVPVSSYSA-N -1 0 364.453 -0.572 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)Sc1nnnn1C1CC1 ZINC000757332632 660677518 /nfs/dbraw/zinc/67/75/18/660677518.db2.gz ASRCJWQMFKFVCV-QMMMGPOBSA-N -1 0 364.453 -0.572 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000757332717 660677430 /nfs/dbraw/zinc/67/74/30/660677430.db2.gz BVIWAWZDYCMFGQ-AWEZNQCLSA-N -1 0 369.443 -0.026 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000757332718 660677378 /nfs/dbraw/zinc/67/73/78/660677378.db2.gz BVIWAWZDYCMFGQ-CQSZACIVSA-N -1 0 369.443 -0.026 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CNC(=O)CCc1ccc(C)cc1 ZINC000757333026 660677342 /nfs/dbraw/zinc/67/73/42/660677342.db2.gz SJUYKUYDGHBYOP-UHFFFAOYSA-N -1 0 371.459 -0.017 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000757333840 660677470 /nfs/dbraw/zinc/67/74/70/660677470.db2.gz FCUPAYCQFZPGKM-GFCCVEGCSA-N -1 0 355.416 -0.021 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000757333847 660677511 /nfs/dbraw/zinc/67/75/11/660677511.db2.gz FCUPAYCQFZPGKM-LBPRGKRZSA-N -1 0 355.416 -0.021 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cn1c(=O)cnc2ccccc21 ZINC000757333941 660677338 /nfs/dbraw/zinc/67/73/38/660677338.db2.gz HCQGKQNQVRWPBI-UHFFFAOYSA-N -1 0 354.388 -0.664 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(OCC(=O)OC)c1 ZINC000757333970 660677229 /nfs/dbraw/zinc/67/72/29/660677229.db2.gz HTFKQFMPDNUSCO-UHFFFAOYSA-N -1 0 360.388 -0.209 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000757333998 660677661 /nfs/dbraw/zinc/67/76/61/660677661.db2.gz IHAKGKDYHCYOEX-UHFFFAOYSA-N -1 0 369.399 -0.388 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)c(C)c1 ZINC000757334095 660677646 /nfs/dbraw/zinc/67/76/46/660677646.db2.gz VRRGVHLMDXIVHO-UHFFFAOYSA-N -1 0 354.392 -0.476 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000757334242 660677582 /nfs/dbraw/zinc/67/75/82/660677582.db2.gz WWZXHGHXVVYPCW-UHFFFAOYSA-N -1 0 358.376 -0.612 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cn1c2ccccc2n(C)c1=O ZINC000757334315 660677632 /nfs/dbraw/zinc/67/76/32/660677632.db2.gz XHSQRWMSTOLBDX-UHFFFAOYSA-N -1 0 356.404 -0.721 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000757334335 660677609 /nfs/dbraw/zinc/67/76/09/660677609.db2.gz XSWRKBYJVHJUGK-UHFFFAOYSA-N -1 0 374.810 -0.132 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000757334572 660677613 /nfs/dbraw/zinc/67/76/13/660677613.db2.gz ZQIYSLDPTNNUHE-UHFFFAOYSA-N -1 0 350.441 -0.681 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CN1C(=O)COc2ccccc21 ZINC000757334716 660677597 /nfs/dbraw/zinc/67/75/97/660677597.db2.gz LCLXHRFBVWJCAB-UHFFFAOYSA-N -1 0 357.388 -0.649 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccccc1OCC(=O)N(C)C ZINC000757334729 660677590 /nfs/dbraw/zinc/67/75/90/660677590.db2.gz LEYMVIYDFHPINV-UHFFFAOYSA-N -1 0 373.431 -0.294 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCn1c2ccccc2n(C)c1=O ZINC000757334770 660677650 /nfs/dbraw/zinc/67/76/50/660677650.db2.gz LWZLBFSQMLNCSX-UHFFFAOYSA-N -1 0 370.431 -0.331 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C1CCN(c2cnccn2)CC1 ZINC000757335427 660677607 /nfs/dbraw/zinc/67/76/07/660677607.db2.gz OABQPVRCIGVNGH-UHFFFAOYSA-N -1 0 357.436 -0.368 20 0 FBADRM CCn1nc(C(=O)[N-]S(=O)(=O)N(C)CCOC)c(=O)c2ccccc21 ZINC000757335447 660677617 /nfs/dbraw/zinc/67/76/17/660677617.db2.gz OJRGISZQMNXZKM-UHFFFAOYSA-N -1 0 368.415 -0.031 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCn1cnc2ccccc2c1=O ZINC000757335549 660677586 /nfs/dbraw/zinc/67/75/86/660677586.db2.gz QYLKBOJFUIHGKD-UHFFFAOYSA-N -1 0 368.415 -0.274 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000757336368 660677638 /nfs/dbraw/zinc/67/76/38/660677638.db2.gz TZJFIQVDZXVRNA-GHMZBOCLSA-N -1 0 361.420 -0.899 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000757336371 660677645 /nfs/dbraw/zinc/67/76/45/660677645.db2.gz TZJFIQVDZXVRNA-PHIMTYICSA-N -1 0 361.420 -0.899 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000757336373 660677615 /nfs/dbraw/zinc/67/76/15/660677615.db2.gz TZJFIQVDZXVRNA-QWRGUYRKSA-N -1 0 361.420 -0.899 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1nc(-c2cnn(C)c2)oc1C ZINC000757336766 660677601 /nfs/dbraw/zinc/67/76/01/660677601.db2.gz VSLPLILMVADFGZ-UHFFFAOYSA-N -1 0 357.392 -0.064 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000757336969 660677584 /nfs/dbraw/zinc/67/75/84/660677584.db2.gz XMOFVACKTVQSLH-MRVPVSSYSA-N -1 0 361.342 -0.664 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000757336975 660677653 /nfs/dbraw/zinc/67/76/53/660677653.db2.gz XMOFVACKTVQSLH-QMMMGPOBSA-N -1 0 361.342 -0.664 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CSCC(=O)N1CCCCC1 ZINC000757337335 660677592 /nfs/dbraw/zinc/67/75/92/660677592.db2.gz ZAEPMWKAWAKOEM-UHFFFAOYSA-N -1 0 367.493 -0.329 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000757337378 660677659 /nfs/dbraw/zinc/67/76/59/660677659.db2.gz ZWZJOVALPOIYOA-HTQZYQBOSA-N -1 0 361.342 -0.617 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000757337383 660677623 /nfs/dbraw/zinc/67/76/23/660677623.db2.gz ZWZJOVALPOIYOA-JGVFFNPUSA-N -1 0 361.342 -0.617 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000757337384 660677611 /nfs/dbraw/zinc/67/76/11/660677611.db2.gz ZWZJOVALPOIYOA-SFYZADRCSA-N -1 0 361.342 -0.617 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000757337386 660677640 /nfs/dbraw/zinc/67/76/40/660677640.db2.gz ZWZJOVALPOIYOA-YUMQZZPRSA-N -1 0 361.342 -0.617 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(F)cc1 ZINC000757338287 660677625 /nfs/dbraw/zinc/67/76/25/660677625.db2.gz CMOLSNDKJMHVCF-UHFFFAOYSA-N -1 0 361.395 -0.115 20 0 FBADRM CCn1c2ccccc2n(CC(=O)[N-]S(=O)(=O)N(C)CCOC)c1=O ZINC000757338306 660677588 /nfs/dbraw/zinc/67/75/88/660677588.db2.gz CQXDBZGCJPLUJR-UHFFFAOYSA-N -1 0 370.431 -0.238 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000757338623 660677643 /nfs/dbraw/zinc/67/76/43/660677643.db2.gz FBJZHEVUPFLPER-UHFFFAOYSA-N -1 0 368.415 -0.585 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC000757338658 660677603 /nfs/dbraw/zinc/67/76/03/660677603.db2.gz FEEZQCKZPBRIFK-UHFFFAOYSA-N -1 0 360.421 -0.590 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCN1C(=O)COc2ccccc21 ZINC000757339723 660677634 /nfs/dbraw/zinc/67/76/34/660677634.db2.gz LAIMHQSCRVFSQL-UHFFFAOYSA-N -1 0 371.415 -0.259 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CN1C(=O)c2ccc(C)cc2C1=O ZINC000757340266 660677636 /nfs/dbraw/zinc/67/76/36/660677636.db2.gz NXUPAHPJVDJYGY-UHFFFAOYSA-N -1 0 369.399 -0.470 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCn1cc(Br)cn1 ZINC000757340402 660677605 /nfs/dbraw/zinc/67/76/05/660677605.db2.gz QIOFMAKLFQKRQL-UHFFFAOYSA-N -1 0 369.241 -0.025 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000757340917 660677581 /nfs/dbraw/zinc/67/75/81/660677581.db2.gz DUNOZGZOYJXEIO-UHFFFAOYSA-N -1 0 355.372 -0.535 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000757341140 660677655 /nfs/dbraw/zinc/67/76/55/660677655.db2.gz SMJZTWRGSGOQNH-UHFFFAOYSA-N -1 0 354.388 -0.514 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(Cn2cncn2)cc1 ZINC000757341142 660677598 /nfs/dbraw/zinc/67/75/98/660677598.db2.gz SORVFBLJMSVXRM-UHFFFAOYSA-N -1 0 353.404 -0.121 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C[C@@H](NC(N)=O)c1ccccc1 ZINC000757341253 660677630 /nfs/dbraw/zinc/67/76/30/660677630.db2.gz UTIFOOQCPYDNFV-GFCCVEGCSA-N -1 0 358.420 -0.275 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C[C@H](NC(N)=O)c1ccccc1 ZINC000757341262 660677962 /nfs/dbraw/zinc/67/79/62/660677962.db2.gz UTIFOOQCPYDNFV-LBPRGKRZSA-N -1 0 358.420 -0.275 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CSc1nnnn1C1CC1 ZINC000757342688 660678072 /nfs/dbraw/zinc/67/80/72/660678072.db2.gz VPOGJRNUIGBQIF-UHFFFAOYSA-N -1 0 350.426 -0.961 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000757342777 660677995 /nfs/dbraw/zinc/67/79/95/660677995.db2.gz WJFFDVADZXLLOW-UHFFFAOYSA-N -1 0 374.394 -0.092 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H](NC(=O)c1ccccn1)C(C)C ZINC000757342900 660678080 /nfs/dbraw/zinc/67/80/80/660678080.db2.gz YGVKWVLZWXVZPL-CYBMUJFWSA-N -1 0 372.447 -0.225 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)c1ccccn1)C(C)C ZINC000757342905 660678032 /nfs/dbraw/zinc/67/80/32/660678032.db2.gz YGVKWVLZWXVZPL-ZDUSSCGKSA-N -1 0 372.447 -0.225 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cncc(N3CCOCC3)c2)cn1 ZINC000757391919 660678266 /nfs/dbraw/zinc/67/82/66/660678266.db2.gz WYQYCXMAWTXEFP-UHFFFAOYSA-N -1 0 351.388 -0.230 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccc(C(=O)NC2CC2)cc1 ZINC000757453799 660678693 /nfs/dbraw/zinc/67/86/93/660678693.db2.gz DKISHWMDSUHGBK-UHFFFAOYSA-N -1 0 353.400 -0.114 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cncc(N2CCOCC2)c1 ZINC000757454749 660678586 /nfs/dbraw/zinc/67/85/86/660678586.db2.gz LRPVJDIZMYHBGM-UHFFFAOYSA-N -1 0 356.404 -0.775 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cncc(N2CCOCC2)c1 ZINC000757454756 660678667 /nfs/dbraw/zinc/67/86/67/660678667.db2.gz DHMLIIQEGZETGG-UHFFFAOYSA-N -1 0 371.415 -0.069 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cncc(N2CCOCC2)c1 ZINC000757481229 660679050 /nfs/dbraw/zinc/67/90/50/660679050.db2.gz BNQCLYVXOLSIRH-UHFFFAOYSA-N -1 0 373.431 -0.359 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cccc2c1oc(=O)n2C ZINC000757484286 660679075 /nfs/dbraw/zinc/67/90/75/660679075.db2.gz ZUVAVCCLZOROLE-UHFFFAOYSA-N -1 0 358.372 -0.146 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cncc(N2CCOCC2)c1 ZINC000757487797 660679085 /nfs/dbraw/zinc/67/90/85/660679085.db2.gz WOMFGTUUFMHNNJ-UHFFFAOYSA-N -1 0 358.420 -0.529 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)NCC(=O)[N-]OCc2ccc(F)cc2)c[nH]1 ZINC000757612010 660680122 /nfs/dbraw/zinc/68/01/22/660680122.db2.gz QPPLXHVLFAGSHW-UHFFFAOYSA-N -1 0 370.362 -0.221 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000757906669 660681988 /nfs/dbraw/zinc/68/19/88/660681988.db2.gz CECGOUGXBDQTBC-UHFFFAOYSA-N -1 0 359.370 -0.016 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1 ZINC000757983151 660682375 /nfs/dbraw/zinc/68/23/75/660682375.db2.gz PJCBQWNYUHFKSV-UHFFFAOYSA-N -1 0 374.385 -0.606 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1 ZINC000758016886 660682204 /nfs/dbraw/zinc/68/22/04/660682204.db2.gz XDPBTDZHFUFKGW-UHFFFAOYSA-N -1 0 352.357 -0.230 20 0 FBADRM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000758039773 660682246 /nfs/dbraw/zinc/68/22/46/660682246.db2.gz YLRJARZBTSJCFK-UHFFFAOYSA-N -1 0 355.347 -0.350 20 0 FBADRM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)c1 ZINC000758042184 660682334 /nfs/dbraw/zinc/68/23/34/660682334.db2.gz YKBCAWMREYJAFB-UHFFFAOYSA-N -1 0 355.347 -0.500 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2cc(C)cc(F)c2)C(=O)C1=O ZINC000758042262 660682383 /nfs/dbraw/zinc/68/23/83/660682383.db2.gz JQKDMYDGHWIHQP-UHFFFAOYSA-N -1 0 371.390 -0.370 20 0 FBADRM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2cn(CC(=O)N(C)C)nn2)c1 ZINC000758042339 660682393 /nfs/dbraw/zinc/68/23/93/660682393.db2.gz MGZRHRCSFJWUFR-UHFFFAOYSA-N -1 0 369.378 -0.067 20 0 FBADRM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)CN2CCCS2(=O)=O)c1 ZINC000758043359 660682370 /nfs/dbraw/zinc/68/23/70/660682370.db2.gz BOZLQCIQQSZLRF-UHFFFAOYSA-N -1 0 350.393 -0.025 20 0 FBADRM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)CCS(C)(=O)=O ZINC000758171460 660683496 /nfs/dbraw/zinc/68/34/96/660683496.db2.gz HRDRCUIXMRGVAR-GFCCVEGCSA-N -1 0 364.445 -0.480 20 0 FBADRM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)CCS(C)(=O)=O ZINC000758171463 660683426 /nfs/dbraw/zinc/68/34/26/660683426.db2.gz HRDRCUIXMRGVAR-LBPRGKRZSA-N -1 0 364.445 -0.480 20 0 FBADRM CCC[C@@H](NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1nnn[n-]1 ZINC000758293633 660684653 /nfs/dbraw/zinc/68/46/53/660684653.db2.gz YYWINVMRMCHNMU-BXKDBHETSA-N -1 0 351.392 -0.113 20 0 FBADRM CCC[C@H](NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1nnn[n-]1 ZINC000758293636 660684456 /nfs/dbraw/zinc/68/44/56/660684456.db2.gz YYWINVMRMCHNMU-CABZTGNLSA-N -1 0 351.392 -0.113 20 0 FBADRM CCC[C@H](NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1nnn[n-]1 ZINC000758293639 660684649 /nfs/dbraw/zinc/68/46/49/660684649.db2.gz YYWINVMRMCHNMU-JOYOIKCWSA-N -1 0 351.392 -0.113 20 0 FBADRM CCC[C@@H](NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1nnn[n-]1 ZINC000758293641 660684472 /nfs/dbraw/zinc/68/44/72/660684472.db2.gz YYWINVMRMCHNMU-SKDRFNHKSA-N -1 0 351.392 -0.113 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000758352208 660685313 /nfs/dbraw/zinc/68/53/13/660685313.db2.gz GMCJFMBRTDURBW-CYBMUJFWSA-N -1 0 367.431 -0.191 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000758352209 660685251 /nfs/dbraw/zinc/68/52/51/660685251.db2.gz GMCJFMBRTDURBW-ZDUSSCGKSA-N -1 0 367.431 -0.191 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000758352220 660685378 /nfs/dbraw/zinc/68/53/78/660685378.db2.gz HRPYWMKUBAOFAZ-UHFFFAOYSA-N -1 0 362.433 -0.813 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)CCn1nnc2ccccc2c1=O ZINC000758352727 660685267 /nfs/dbraw/zinc/68/52/67/660685267.db2.gz RFWBFQAPYFERTP-UHFFFAOYSA-N -1 0 353.404 -0.116 20 0 FBADRM C[C@@H](NS(C)(=O)=O)C(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000758477696 660686484 /nfs/dbraw/zinc/68/64/84/660686484.db2.gz RSBHJCZVUCVTCN-MRVPVSSYSA-N -1 0 361.401 -0.511 20 0 FBADRM C[C@H](NS(C)(=O)=O)C(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000758477706 660686442 /nfs/dbraw/zinc/68/64/42/660686442.db2.gz RSBHJCZVUCVTCN-QMMMGPOBSA-N -1 0 361.401 -0.511 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)n1 ZINC000758483871 660687154 /nfs/dbraw/zinc/68/71/54/660687154.db2.gz XTWSAJOUAGGACR-UHFFFAOYSA-N -1 0 350.301 -0.238 20 0 FBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 ZINC000758499142 660688407 /nfs/dbraw/zinc/68/84/07/660688407.db2.gz FKLLNCNTVWIIOH-ZDUSSCGKSA-N -1 0 372.399 -0.539 20 0 FBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 ZINC000758501664 660688454 /nfs/dbraw/zinc/68/84/54/660688454.db2.gz FKLLNCNTVWIIOH-CYBMUJFWSA-N -1 0 372.399 -0.539 20 0 FBADRM COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C ZINC000758502337 660688516 /nfs/dbraw/zinc/68/85/16/660688516.db2.gz BHFDZNDOSXSNGI-SECBINFHSA-N -1 0 357.388 -0.213 20 0 FBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C ZINC000758502339 660688596 /nfs/dbraw/zinc/68/85/96/660688596.db2.gz BHFDZNDOSXSNGI-VIFPVBQESA-N -1 0 357.388 -0.213 20 0 FBADRM COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000758502363 660688646 /nfs/dbraw/zinc/68/86/46/660688646.db2.gz CFZQRPBAKVVCLT-SECBINFHSA-N -1 0 353.360 -0.334 20 0 FBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000758502365 660688588 /nfs/dbraw/zinc/68/85/88/660688588.db2.gz CFZQRPBAKVVCLT-VIFPVBQESA-N -1 0 353.360 -0.334 20 0 FBADRM Cc1nn(C)c(C)c1OCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000758503438 660688566 /nfs/dbraw/zinc/68/85/66/660688566.db2.gz GRXTVUILCHFBTR-UHFFFAOYSA-N -1 0 369.403 -0.642 20 0 FBADRM COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000758509432 660688901 /nfs/dbraw/zinc/68/89/01/660688901.db2.gz FMUNVJHUAUSIKR-SECBINFHSA-N -1 0 367.387 -0.119 20 0 FBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000758509478 660688799 /nfs/dbraw/zinc/68/87/99/660688799.db2.gz FMUNVJHUAUSIKR-VIFPVBQESA-N -1 0 367.387 -0.119 20 0 FBADRM COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000758514797 660688856 /nfs/dbraw/zinc/68/88/56/660688856.db2.gz BTCMEUBWQIQVSF-SECBINFHSA-N -1 0 357.388 -0.141 20 0 FBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000758514800 660688931 /nfs/dbraw/zinc/68/89/31/660688931.db2.gz BTCMEUBWQIQVSF-VIFPVBQESA-N -1 0 357.388 -0.141 20 0 FBADRM COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000758515827 660688826 /nfs/dbraw/zinc/68/88/26/660688826.db2.gz FIDJNLRULLWUOW-SECBINFHSA-N -1 0 350.393 -0.568 20 0 FBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000758515828 660688911 /nfs/dbraw/zinc/68/89/11/660688911.db2.gz FIDJNLRULLWUOW-VIFPVBQESA-N -1 0 350.393 -0.568 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)OC ZINC000758522047 660688940 /nfs/dbraw/zinc/68/89/40/660688940.db2.gz FBSNTYOAMGZTGE-NXEZZACHSA-N -1 0 350.393 -0.426 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)OC ZINC000758522052 660688847 /nfs/dbraw/zinc/68/88/47/660688847.db2.gz FBSNTYOAMGZTGE-UWVGGRQHSA-N -1 0 350.393 -0.426 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)OC ZINC000758522054 660688957 /nfs/dbraw/zinc/68/89/57/660688957.db2.gz FBSNTYOAMGZTGE-VHSXEESVSA-N -1 0 350.393 -0.426 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)OC ZINC000758522055 660688793 /nfs/dbraw/zinc/68/87/93/660688793.db2.gz FBSNTYOAMGZTGE-ZJUUUORDSA-N -1 0 350.393 -0.426 20 0 FBADRM CN(CCN1CCCS1(=O)=O)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000758523101 660688886 /nfs/dbraw/zinc/68/88/86/660688886.db2.gz DDTZOJPRFCYXFS-UHFFFAOYSA-N -1 0 359.370 -0.063 20 0 FBADRM COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000758528052 660689250 /nfs/dbraw/zinc/68/92/50/660689250.db2.gz HWAQQQSIKGPIMX-SECBINFHSA-N -1 0 354.384 -0.023 20 0 FBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000758528054 660689342 /nfs/dbraw/zinc/68/93/42/660689342.db2.gz HWAQQQSIKGPIMX-VIFPVBQESA-N -1 0 354.384 -0.023 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)[N-]S(=O)(=O)c2cnccn2)c1 ZINC000758558202 660689388 /nfs/dbraw/zinc/68/93/88/660689388.db2.gz MWBANVGQLJKSKU-UHFFFAOYSA-N -1 0 359.389 -0.826 20 0 FBADRM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758560598 660689556 /nfs/dbraw/zinc/68/95/56/660689556.db2.gz IEGGMOXUEGKPOK-UHFFFAOYSA-N -1 0 374.400 -0.253 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnccn1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000758560612 660689707 /nfs/dbraw/zinc/68/97/07/660689707.db2.gz IKPRDWVDBVTDBI-JTQLQIEISA-N -1 0 350.356 -0.077 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnccn1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000758560620 660689691 /nfs/dbraw/zinc/68/96/91/660689691.db2.gz IKPRDWVDBVTDBI-SNVBAGLBSA-N -1 0 350.356 -0.077 20 0 FBADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758561069 660689649 /nfs/dbraw/zinc/68/96/49/660689649.db2.gz WVENNRFXVWNRRX-UHFFFAOYSA-N -1 0 367.387 -0.464 20 0 FBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758561074 660689585 /nfs/dbraw/zinc/68/95/85/660689585.db2.gz WXOFZBSZZRGBLR-UHFFFAOYSA-N -1 0 353.360 -0.854 20 0 FBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)[N-]S(=O)(=O)c1cnccn1)C2=O ZINC000758561080 660689735 /nfs/dbraw/zinc/68/97/35/660689735.db2.gz XBDBOTVFSBKYJK-UHFFFAOYSA-N -1 0 360.351 -0.114 20 0 FBADRM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758563225 660689634 /nfs/dbraw/zinc/68/96/34/660689634.db2.gz APCHQFCZTCYECD-GHMZBOCLSA-N -1 0 366.399 -0.153 20 0 FBADRM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758563230 660689784 /nfs/dbraw/zinc/68/97/84/660689784.db2.gz APCHQFCZTCYECD-PHIMTYICSA-N -1 0 366.399 -0.153 20 0 FBADRM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758563233 660689778 /nfs/dbraw/zinc/68/97/78/660689778.db2.gz APCHQFCZTCYECD-QWRGUYRKSA-N -1 0 366.399 -0.153 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnccn2)cc1 ZINC000758563346 660689666 /nfs/dbraw/zinc/68/96/66/660689666.db2.gz BDKUIOAPPAJMPC-UHFFFAOYSA-N -1 0 370.412 -0.154 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758563607 660689790 /nfs/dbraw/zinc/68/97/90/660689790.db2.gz UDQYJJKEYMLHGK-AOOOYVTPSA-N -1 0 352.372 -0.543 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758563609 660689775 /nfs/dbraw/zinc/68/97/75/660689775.db2.gz UDQYJJKEYMLHGK-NXEZZACHSA-N -1 0 352.372 -0.543 20 0 FBADRM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758563610 660689766 /nfs/dbraw/zinc/68/97/66/660689766.db2.gz UDQYJJKEYMLHGK-UWVGGRQHSA-N -1 0 352.372 -0.543 20 0 FBADRM O=C(CNC(=O)Cc1cccc(F)c1)[N-]S(=O)(=O)c1cnccn1 ZINC000758564749 660689623 /nfs/dbraw/zinc/68/96/23/660689623.db2.gz ZPRJOWBBGNJPNG-UHFFFAOYSA-N -1 0 352.347 -0.221 20 0 FBADRM O=C(Cn1cc(Br)ccc1=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758564847 660689773 /nfs/dbraw/zinc/68/97/73/660689773.db2.gz ZSKXQSSCVFKSLI-UHFFFAOYSA-N -1 0 373.188 -0.094 20 0 FBADRM O=C(CCN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758567105 660689787 /nfs/dbraw/zinc/68/97/87/660689787.db2.gz AYMKZBANJGCJJA-UHFFFAOYSA-N -1 0 367.387 -0.464 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)c1cnccn1)N1C(=O)NC2(CCCC2)C1=O ZINC000758568129 660689639 /nfs/dbraw/zinc/68/96/39/660689639.db2.gz INKPUGNSKJWYMC-SECBINFHSA-N -1 0 367.387 -0.465 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cnccn1)N1C(=O)NC2(CCCC2)C1=O ZINC000758568132 660689780 /nfs/dbraw/zinc/68/97/80/660689780.db2.gz INKPUGNSKJWYMC-VIFPVBQESA-N -1 0 367.387 -0.465 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnccn2)o1 ZINC000758568774 660689729 /nfs/dbraw/zinc/68/97/29/660689729.db2.gz ZGQJDKAHYOXHBG-UHFFFAOYSA-N -1 0 360.373 -0.561 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1cnccn1)S(=O)(=O)c1ccccc1 ZINC000758568849 660689745 /nfs/dbraw/zinc/68/97/45/660689745.db2.gz MBZQUTZMCJEIRI-UHFFFAOYSA-N -1 0 370.412 -0.398 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnccn1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000758570268 660689782 /nfs/dbraw/zinc/68/97/82/660689782.db2.gz YNJJQMJWIJEWPS-BQBZGAKWSA-N -1 0 352.294 -0.261 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnccn1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000758570280 660689654 /nfs/dbraw/zinc/68/96/54/660689654.db2.gz YNJJQMJWIJEWPS-NKWVEPMBSA-N -1 0 352.294 -0.261 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnccn1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000758570281 660689800 /nfs/dbraw/zinc/68/98/00/660689800.db2.gz YNJJQMJWIJEWPS-RNFRBKRXSA-N -1 0 352.294 -0.261 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnccn1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000758570283 660689565 /nfs/dbraw/zinc/68/95/65/660689565.db2.gz YNJJQMJWIJEWPS-RQJHMYQMSA-N -1 0 352.294 -0.261 20 0 FBADRM O=C(CCNC(=O)OCC(F)(F)F)[N-]S(=O)(=O)c1cnccn1 ZINC000758576508 660689715 /nfs/dbraw/zinc/68/97/15/660689715.db2.gz CTPBSZUFNUFOIC-UHFFFAOYSA-N -1 0 356.282 -0.040 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)c2cnccn2)C1=O ZINC000758576730 660689607 /nfs/dbraw/zinc/68/96/07/660689607.db2.gz IBRMTWVBFYRIHN-CYBMUJFWSA-N -1 0 353.360 -0.998 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)c2cnccn2)C1=O ZINC000758576734 660689687 /nfs/dbraw/zinc/68/96/87/660689687.db2.gz IBRMTWVBFYRIHN-ZDUSSCGKSA-N -1 0 353.360 -0.998 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)c2cnccn2)C1=O ZINC000758577422 660689879 /nfs/dbraw/zinc/68/98/79/660689879.db2.gz BRASCFQHXNBJLR-UHFFFAOYSA-N -1 0 355.376 -0.608 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnccn1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000758577620 660690045 /nfs/dbraw/zinc/69/00/45/660690045.db2.gz LCBPXAXPMVUUEX-SSDOTTSWSA-N -1 0 352.294 -0.308 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnccn1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000758577623 660690080 /nfs/dbraw/zinc/69/00/80/660690080.db2.gz LCBPXAXPMVUUEX-ZETCQYMHSA-N -1 0 352.294 -0.308 20 0 FBADRM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758577655 660690035 /nfs/dbraw/zinc/69/00/35/660690035.db2.gz NCPLKAXONIDUCD-UHFFFAOYSA-N -1 0 361.339 -0.603 20 0 FBADRM C[C@@H](Sc1nnnn1C1CC1)C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758577905 660689942 /nfs/dbraw/zinc/68/99/42/660689942.db2.gz OZMSQVIGTXHDKY-SSDOTTSWSA-N -1 0 355.405 -0.216 20 0 FBADRM C[C@H](Sc1nnnn1C1CC1)C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758577922 660690060 /nfs/dbraw/zinc/69/00/60/660690060.db2.gz OZMSQVIGTXHDKY-ZETCQYMHSA-N -1 0 355.405 -0.216 20 0 FBADRM CC(C)(C)OC(=O)NCCOCC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758579783 660690087 /nfs/dbraw/zinc/69/00/87/660690087.db2.gz UNYCHIGQTCDHJZ-UHFFFAOYSA-N -1 0 360.392 -0.177 20 0 FBADRM CC1(C)NC(=O)N(CCCC(=O)[N-]S(=O)(=O)c2cnccn2)C1=O ZINC000758579846 660689934 /nfs/dbraw/zinc/68/99/34/660689934.db2.gz WJAXTVVZEJSCRQ-UHFFFAOYSA-N -1 0 355.376 -0.608 20 0 FBADRM Cc1oc(C(=O)[N-]S(=O)(=O)c2cnccn2)cc1S(=O)(=O)N(C)C ZINC000758579993 660689995 /nfs/dbraw/zinc/68/99/95/660689995.db2.gz ZEYPHAYCPLMYMN-UHFFFAOYSA-N -1 0 374.400 -0.253 20 0 FBADRM O=C(CCN1C(=O)c2ccccc2C1=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758580441 660689914 /nfs/dbraw/zinc/68/99/14/660689914.db2.gz XVIJVNJQGSDLPF-UHFFFAOYSA-N -1 0 360.351 -0.032 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cnccn2)c1 ZINC000758580618 660690048 /nfs/dbraw/zinc/69/00/48/660690048.db2.gz WWWDBROBSGCXMB-UHFFFAOYSA-N -1 0 370.412 -0.154 20 0 FBADRM Cc1cc(NC(=O)CSCC(=O)[N-]S(=O)(=O)c2cnccn2)no1 ZINC000758581038 660690077 /nfs/dbraw/zinc/69/00/77/660690077.db2.gz ZNUQPJKEDDSPPJ-UHFFFAOYSA-N -1 0 371.400 -0.050 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)c2cnccn2)ccc1OCC(N)=O ZINC000758581610 660690014 /nfs/dbraw/zinc/69/00/14/660690014.db2.gz VEWKTYLGCADCFA-UHFFFAOYSA-N -1 0 366.355 -0.532 20 0 FBADRM O=C(CCn1nnc2ccccc2c1=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758581747 660690108 /nfs/dbraw/zinc/69/01/08/660690108.db2.gz WOSVNHMHSLMJSO-UHFFFAOYSA-N -1 0 360.355 -0.523 20 0 FBADRM CC1(C)OCC(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CO1 ZINC000758630272 660690397 /nfs/dbraw/zinc/69/03/97/660690397.db2.gz HHDAQSRSNNTRTP-UHFFFAOYSA-N -1 0 356.360 -0.134 20 0 FBADRM COCC(=O)N(C)CC(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000758792958 660691405 /nfs/dbraw/zinc/69/14/05/660691405.db2.gz DICKOAGCEIWDGV-UHFFFAOYSA-N -1 0 355.372 -0.344 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000758861489 660691751 /nfs/dbraw/zinc/69/17/51/660691751.db2.gz GFGHRFBWXIKORG-MRVPVSSYSA-N -1 0 359.370 -0.159 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000758861490 660691731 /nfs/dbraw/zinc/69/17/31/660691731.db2.gz GFGHRFBWXIKORG-QMMMGPOBSA-N -1 0 359.370 -0.159 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000758862298 660691694 /nfs/dbraw/zinc/69/16/94/660691694.db2.gz KLUGKSIHWCYUSA-MRVPVSSYSA-N -1 0 359.370 -0.016 20 0 FBADRM C[C@H]1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CCN1S(C)(=O)=O ZINC000759029888 660692020 /nfs/dbraw/zinc/69/20/20/660692020.db2.gz KRMHMIMBJLJMRK-QMMMGPOBSA-N -1 0 359.370 -0.064 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCC(=O)NCC(=O)N1CCCC1 ZINC000759112522 660692120 /nfs/dbraw/zinc/69/21/20/660692120.db2.gz WNMLUUYBMYKFFV-UHFFFAOYSA-N -1 0 367.324 -0.275 20 0 FBADRM C[C@@H](NC(=O)COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C(=O)N(C)C ZINC000759115232 660692158 /nfs/dbraw/zinc/69/21/58/660692158.db2.gz BIVBRPWLLIRGLQ-SSDOTTSWSA-N -1 0 355.313 -0.420 20 0 FBADRM C[C@H](NC(=O)COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C(=O)N(C)C ZINC000759115233 660692114 /nfs/dbraw/zinc/69/21/14/660692114.db2.gz BIVBRPWLLIRGLQ-ZETCQYMHSA-N -1 0 355.313 -0.420 20 0 FBADRM CCCNC(=O)CN(C)C(=O)COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000759115290 660692197 /nfs/dbraw/zinc/69/21/97/660692197.db2.gz DELGIKPXDGDEAP-UHFFFAOYSA-N -1 0 369.340 -0.029 20 0 FBADRM CC1(CCNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)OCCO1 ZINC000759115948 660692151 /nfs/dbraw/zinc/69/21/51/660692151.db2.gz PDZALOLNTWZBNC-UHFFFAOYSA-N -1 0 356.360 -0.133 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O ZINC000759118991 660692190 /nfs/dbraw/zinc/69/21/90/660692190.db2.gz FWVSXWPNLNVMRR-MRVPVSSYSA-N -1 0 367.324 -0.147 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O ZINC000759118993 660692275 /nfs/dbraw/zinc/69/22/75/660692275.db2.gz FWVSXWPNLNVMRR-QMMMGPOBSA-N -1 0 367.324 -0.147 20 0 FBADRM COC[C@@H](C)NC(=O)NC(=O)COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000759119407 660692239 /nfs/dbraw/zinc/69/22/39/660692239.db2.gz YRHAYLGZDLCYFL-SSDOTTSWSA-N -1 0 371.312 -0.153 20 0 FBADRM COC[C@H](C)NC(=O)NC(=O)COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000759119409 660692247 /nfs/dbraw/zinc/69/22/47/660692247.db2.gz YRHAYLGZDLCYFL-ZETCQYMHSA-N -1 0 371.312 -0.153 20 0 FBADRM Cn1c(=O)cc(COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)n(C)c1=O ZINC000759121941 660692281 /nfs/dbraw/zinc/69/22/81/660692281.db2.gz GSGIFBNAXXZZNJ-UHFFFAOYSA-N -1 0 351.281 -0.416 20 0 FBADRM COC(=O)Cn1cc(CCOC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)nn1 ZINC000759122734 660692286 /nfs/dbraw/zinc/69/22/86/660692286.db2.gz KIOOYURZJUKLDN-UHFFFAOYSA-N -1 0 366.296 -0.006 20 0 FBADRM CC(=O)N1CCN(C(=O)COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1 ZINC000759129271 660692289 /nfs/dbraw/zinc/69/22/89/660692289.db2.gz KTRXUSGEZRYDIA-UHFFFAOYSA-N -1 0 367.324 -0.323 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000759166594 660692272 /nfs/dbraw/zinc/69/22/72/660692272.db2.gz CASHPMJCBFFYHI-UHFFFAOYSA-N -1 0 357.388 -0.445 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)C1CC1 ZINC000759168565 660692261 /nfs/dbraw/zinc/69/22/61/660692261.db2.gz IFHZLWMSCXGTFV-UHFFFAOYSA-N -1 0 364.387 -0.664 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000759169286 660692229 /nfs/dbraw/zinc/69/22/29/660692229.db2.gz NGNMLGRBYSTMFJ-UHFFFAOYSA-N -1 0 358.372 -0.633 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cc(OC)ccc1OC ZINC000759171160 660692227 /nfs/dbraw/zinc/69/22/27/660692227.db2.gz IKRDATQRESMEFQ-UHFFFAOYSA-N -1 0 360.388 -0.387 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000759171645 660692277 /nfs/dbraw/zinc/69/22/77/660692277.db2.gz MDZDDXFNXVAPTD-UHFFFAOYSA-N -1 0 360.388 -0.387 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000759173096 660692274 /nfs/dbraw/zinc/69/22/74/660692274.db2.gz QYVAPEWHWOLCEN-UHFFFAOYSA-N -1 0 364.401 -0.556 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000759175070 660692224 /nfs/dbraw/zinc/69/22/24/660692224.db2.gz AVFDNXBIIBYGMG-UHFFFAOYSA-N -1 0 372.399 -0.242 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000759181313 660692246 /nfs/dbraw/zinc/69/22/46/660692246.db2.gz BMYDEMGFKJUDON-UHFFFAOYSA-N -1 0 369.399 -0.519 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC000759186121 660692391 /nfs/dbraw/zinc/69/23/91/660692391.db2.gz DPJPNLKHOBUUCS-UHFFFAOYSA-N -1 0 355.372 -0.121 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000759235974 660692390 /nfs/dbraw/zinc/69/23/90/660692390.db2.gz ATXJWPAWMKJXLB-UHFFFAOYSA-N -1 0 364.401 -0.556 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(=O)C1CC1 ZINC000759249369 660692519 /nfs/dbraw/zinc/69/25/19/660692519.db2.gz IDFYRSBWDULCMZ-UHFFFAOYSA-N -1 0 374.440 -0.237 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CCc2cnn(C)c2C)CC1 ZINC000759260761 660692864 /nfs/dbraw/zinc/69/28/64/660692864.db2.gz HRNIPEZXLYDAGD-UHFFFAOYSA-N -1 0 372.447 -0.093 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CN(C)C(=O)C2CC2)CC1 ZINC000759263268 660692778 /nfs/dbraw/zinc/69/27/78/660692778.db2.gz UZBXUZWHFIAJLM-UHFFFAOYSA-N -1 0 361.420 -0.899 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1)C(=O)C1CC1 ZINC000759269469 660692820 /nfs/dbraw/zinc/69/28/20/660692820.db2.gz BRRIYZLHXLOFMY-UHFFFAOYSA-N -1 0 368.415 -0.472 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)OC)cc1 ZINC000759272393 660692839 /nfs/dbraw/zinc/69/28/39/660692839.db2.gz NJFLOQCDSOCLBX-UHFFFAOYSA-N -1 0 372.399 -0.476 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000759280303 660692796 /nfs/dbraw/zinc/69/27/96/660692796.db2.gz DDJZIXNZMMGUMY-UHFFFAOYSA-N -1 0 358.372 -0.617 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000759281229 660692755 /nfs/dbraw/zinc/69/27/55/660692755.db2.gz IXNPXMSOBAILSN-UHFFFAOYSA-N -1 0 374.806 -0.103 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000759284091 660692758 /nfs/dbraw/zinc/69/27/58/660692758.db2.gz XVOJNHAYHLJGLM-UHFFFAOYSA-N -1 0 366.399 -0.218 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1 ZINC000759295528 660692763 /nfs/dbraw/zinc/69/27/63/660692763.db2.gz AMHYWQSVXXGNPK-UHFFFAOYSA-N -1 0 355.416 -0.490 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)N1CCCc2ccccc21 ZINC000759299048 660692751 /nfs/dbraw/zinc/69/27/51/660692751.db2.gz XXPNISRGHZPXKM-UHFFFAOYSA-N -1 0 355.416 -0.095 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)N1CCc2sccc2C1 ZINC000759304226 660692791 /nfs/dbraw/zinc/69/27/91/660692791.db2.gz UYPXQBYWPMUJPM-UHFFFAOYSA-N -1 0 361.445 -0.428 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CN(C)C(=O)C1CC1 ZINC000759327504 660692869 /nfs/dbraw/zinc/69/28/69/660692869.db2.gz WUMQJKCOMVFAFJ-LLVKDONJSA-N -1 0 361.420 -0.757 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CN(C)C(=O)C1CC1 ZINC000759327526 660693043 /nfs/dbraw/zinc/69/30/43/660693043.db2.gz WUMQJKCOMVFAFJ-NSHDSACASA-N -1 0 361.420 -0.757 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)C2CC2)cc1C(N)=O ZINC000759332132 660693244 /nfs/dbraw/zinc/69/32/44/660693244.db2.gz DHMLKEVVZIBBEK-UHFFFAOYSA-N -1 0 353.400 -0.233 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000759332573 660693156 /nfs/dbraw/zinc/69/31/56/660693156.db2.gz HFZDFIWERXOZJZ-UHFFFAOYSA-N -1 0 357.388 -0.996 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C(=O)C1CC1 ZINC000759363436 660693241 /nfs/dbraw/zinc/69/32/41/660693241.db2.gz GYWHZRUWKDPZKB-UHFFFAOYSA-N -1 0 365.411 -0.354 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)C1CC1 ZINC000759368196 660693654 /nfs/dbraw/zinc/69/36/54/660693654.db2.gz NWGDWJOTOVVMMU-UHFFFAOYSA-N -1 0 374.440 -0.237 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000759369894 660693568 /nfs/dbraw/zinc/69/35/68/660693568.db2.gz XPFFEFZINJNXKK-UHFFFAOYSA-N -1 0 371.415 -0.702 20 0 FBADRM CN1C(=O)CCc2cc(C(=O)[N-]S(=O)(=O)N3CCOCC3)ccc21 ZINC000759382610 660693474 /nfs/dbraw/zinc/69/34/74/660693474.db2.gz ABGYSOGTAZGQBF-UHFFFAOYSA-N -1 0 353.400 -0.098 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)N2CCOCC2)cnn1-c1ccccn1 ZINC000759383804 660693682 /nfs/dbraw/zinc/69/36/82/660693682.db2.gz MKYXBCVDAPGYDM-UHFFFAOYSA-N -1 0 351.388 -0.117 20 0 FBADRM O=C(CCc1nc(-c2ccncc2)no1)[N-]S(=O)(=O)N1CCOCC1 ZINC000759384321 660693660 /nfs/dbraw/zinc/69/36/60/660693660.db2.gz NOKBSXVWUDLNJR-UHFFFAOYSA-N -1 0 367.387 -0.243 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)N(C)CCC2 ZINC000759438907 660693892 /nfs/dbraw/zinc/69/38/92/660693892.db2.gz SRLNBMNSHMCCSU-UHFFFAOYSA-N -1 0 369.443 -0.021 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(C)c(N(C)C)c1 ZINC000759445175 660693851 /nfs/dbraw/zinc/69/38/51/660693851.db2.gz CRTWHHGTGNFCQP-UHFFFAOYSA-N -1 0 357.432 -0.029 20 0 FBADRM CN(C)S(=O)(=O)N(C)CCOC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000759486515 660694259 /nfs/dbraw/zinc/69/42/59/660694259.db2.gz ITYVRDYLJGWAGR-UHFFFAOYSA-N -1 0 363.358 -0.275 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)CN(C)C(=O)COC ZINC000759501053 660694220 /nfs/dbraw/zinc/69/42/20/660694220.db2.gz LMHHZQIOJMDSNT-UHFFFAOYSA-N -1 0 360.436 -0.545 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2cccc(C(N)=O)c2)s1 ZINC000759505200 660694239 /nfs/dbraw/zinc/69/42/39/660694239.db2.gz LQUVYAPYOIRMNZ-UHFFFAOYSA-N -1 0 369.384 -0.286 20 0 FBADRM CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000759505945 660694252 /nfs/dbraw/zinc/69/42/52/660694252.db2.gz QVCZCHHHXLYFPM-SSDOTTSWSA-N -1 0 366.421 -0.257 20 0 FBADRM CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000759505950 660694192 /nfs/dbraw/zinc/69/41/92/660694192.db2.gz QVCZCHHHXLYFPM-ZETCQYMHSA-N -1 0 366.421 -0.257 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2ccc(=O)n(C)c2)s1 ZINC000759505985 660694232 /nfs/dbraw/zinc/69/42/32/660694232.db2.gz RHXCINISTRTNKC-UHFFFAOYSA-N -1 0 357.373 -0.686 20 0 FBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000759506968 660694187 /nfs/dbraw/zinc/69/41/87/660694187.db2.gz VCRMOZXJKIFLPY-UHFFFAOYSA-N -1 0 365.393 -0.562 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2cccn(C)c2=O)s1 ZINC000759507689 660694164 /nfs/dbraw/zinc/69/41/64/660694164.db2.gz FZMGJVVEKIWWOC-UHFFFAOYSA-N -1 0 357.373 -0.686 20 0 FBADRM COc1c(C(=O)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)c(C)nn1C ZINC000759507805 660694224 /nfs/dbraw/zinc/69/42/24/660694224.db2.gz ATYJOZRLGMFXTL-UHFFFAOYSA-N -1 0 374.404 -0.334 20 0 FBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000759508384 660694214 /nfs/dbraw/zinc/69/42/14/660694214.db2.gz GBUURIOTMCXBOZ-UHFFFAOYSA-N -1 0 363.421 -0.392 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)CCn2ccccc2=O)s1 ZINC000759508941 660694218 /nfs/dbraw/zinc/69/42/18/660694218.db2.gz JZAZTNNXLWWKSN-UHFFFAOYSA-N -1 0 371.400 -0.447 20 0 FBADRM COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000759509458 660694273 /nfs/dbraw/zinc/69/42/73/660694273.db2.gz LLWUEPZHWNWMRA-RXMQYKEDSA-N -1 0 350.378 -0.499 20 0 FBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000759509477 660694248 /nfs/dbraw/zinc/69/42/48/660694248.db2.gz LLWUEPZHWNWMRA-YFKPBYRVSA-N -1 0 350.378 -0.499 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)/C=C\c2cnn(C)c2)s1 ZINC000759509524 660694226 /nfs/dbraw/zinc/69/42/26/660694226.db2.gz LNYPIXNVYZMUSB-ARJAWSKDSA-N -1 0 356.389 -0.252 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)/C=C/c2cnn(C)c2)s1 ZINC000759509542 660694245 /nfs/dbraw/zinc/69/42/45/660694245.db2.gz LNYPIXNVYZMUSB-ONEGZZNKSA-N -1 0 356.389 -0.252 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2ccc3nncn3c2)s1 ZINC000759509699 660694271 /nfs/dbraw/zinc/69/42/71/660694271.db2.gz KXTWNQXJIPMFHJ-UHFFFAOYSA-N -1 0 367.372 -0.342 20 0 FBADRM COc1ncc(C(=O)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cn1 ZINC000759510051 660694459 /nfs/dbraw/zinc/69/44/59/660694459.db2.gz JLTRRGNEAIXZDY-UHFFFAOYSA-N -1 0 358.361 -0.586 20 0 FBADRM CCc1ncncc1C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000759510590 660694619 /nfs/dbraw/zinc/69/46/19/660694619.db2.gz ODTNIBUTQDMTJI-UHFFFAOYSA-N -1 0 356.389 -0.032 20 0 FBADRM CCc1c(C(=O)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cnn1C ZINC000759510673 660694668 /nfs/dbraw/zinc/69/46/68/660694668.db2.gz RMLRYFJKZLCFQT-UHFFFAOYSA-N -1 0 358.405 -0.089 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)cc2)s1 ZINC000759511245 660694575 /nfs/dbraw/zinc/69/45/75/660694575.db2.gz OARJPRNUBWJKHB-UHFFFAOYSA-N -1 0 369.384 -0.286 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2cc(C(N)=O)cn2C)s1 ZINC000759511252 660694499 /nfs/dbraw/zinc/69/44/99/660694499.db2.gz OHJBAMJPYGUCRO-UHFFFAOYSA-N -1 0 372.388 -0.947 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)COc2cc(C)on2)s1 ZINC000759512515 660694543 /nfs/dbraw/zinc/69/45/43/660694543.db2.gz VVEQQZOUWPNLDW-UHFFFAOYSA-N -1 0 361.361 -0.323 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)CCCn2cccn2)s1 ZINC000759512606 660694494 /nfs/dbraw/zinc/69/44/94/660694494.db2.gz YAFNPNPPJAITFR-UHFFFAOYSA-N -1 0 358.405 -0.022 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2cnn3cccnc23)s1 ZINC000759513606 660694483 /nfs/dbraw/zinc/69/44/83/660694483.db2.gz YJFHGQMIYQEZLD-UHFFFAOYSA-N -1 0 367.372 -0.342 20 0 FBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000759513652 660694677 /nfs/dbraw/zinc/69/46/77/660694677.db2.gz ZQTDFVORYQRHBS-UHFFFAOYSA-N -1 0 365.393 -0.562 20 0 FBADRM CCOCCOCC(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000759514438 660694613 /nfs/dbraw/zinc/69/46/13/660694613.db2.gz XSEXBBUILOFRKE-UHFFFAOYSA-N -1 0 352.394 -0.646 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2c(C)nn(C)c2C)s1 ZINC000759516807 660694519 /nfs/dbraw/zinc/69/45/19/660694519.db2.gz FSORGYAFZHIDQH-UHFFFAOYSA-N -1 0 358.405 -0.034 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)CCc2cnn(C)c2C)s1 ZINC000759516915 660694624 /nfs/dbraw/zinc/69/46/24/660694624.db2.gz CSBNVJQCDFLERV-UHFFFAOYSA-N -1 0 372.432 -0.024 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CC3)C2)s1 ZINC000759517603 660694637 /nfs/dbraw/zinc/69/46/37/660694637.db2.gz DHEBRHMJHYHBKN-SSDOTTSWSA-N -1 0 373.416 -0.688 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CC3)C2)s1 ZINC000759517619 660694671 /nfs/dbraw/zinc/69/46/71/660694671.db2.gz DHEBRHMJHYHBKN-ZETCQYMHSA-N -1 0 373.416 -0.688 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)C2CC2)s1 ZINC000759519007 660694680 /nfs/dbraw/zinc/69/46/80/660694680.db2.gz KHTRCLOHQQQDLO-UHFFFAOYSA-N -1 0 361.405 -0.830 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)Cc2c(C)nn(C)c2C)s1 ZINC000759519385 660694557 /nfs/dbraw/zinc/69/45/57/660694557.db2.gz MBVCUOUDBPXNLC-UHFFFAOYSA-N -1 0 372.432 -0.106 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)COC[C@H]2CCCO2)s1 ZINC000759522086 660694924 /nfs/dbraw/zinc/69/49/24/660694924.db2.gz VANSCFAYABAQKT-MRVPVSSYSA-N -1 0 364.405 -0.503 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)COC[C@@H]2CCCO2)s1 ZINC000759522089 660694860 /nfs/dbraw/zinc/69/48/60/660694860.db2.gz VANSCFAYABAQKT-QMMMGPOBSA-N -1 0 364.405 -0.503 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C)s1 ZINC000759522682 660694830 /nfs/dbraw/zinc/69/48/30/660694830.db2.gz XPBWBJQLBAWZOB-UHFFFAOYSA-N -1 0 363.421 -0.536 20 0 FBADRM Cn1nc(Br)cc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000759529326 660694872 /nfs/dbraw/zinc/69/48/72/660694872.db2.gz IFPBWNANZLRRIR-UHFFFAOYSA-N -1 0 353.198 -0.511 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c2ccccc2c1=O ZINC000759530270 660694780 /nfs/dbraw/zinc/69/47/80/660694780.db2.gz MXNBWIBXQNBYIN-UHFFFAOYSA-N -1 0 351.384 -0.155 20 0 FBADRM COCCOc1ccc(CC(=O)[N-]S(=O)(=O)N2CCOCC2)cc1 ZINC000759532297 660694854 /nfs/dbraw/zinc/69/48/54/660694854.db2.gz UTQZCSRFEKJWFD-UHFFFAOYSA-N -1 0 358.416 -0.053 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cn(Cc2cccc(F)c2)nn1 ZINC000759564094 660695216 /nfs/dbraw/zinc/69/52/16/660695216.db2.gz IQJYCQKVMYCBQO-UHFFFAOYSA-N -1 0 369.378 -0.228 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(Br)nn1C ZINC000759571655 660695232 /nfs/dbraw/zinc/69/52/32/660695232.db2.gz CIQVFONDETWOQH-UHFFFAOYSA-N -1 0 355.214 -0.265 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cc(Br)nn1C ZINC000759584872 660695246 /nfs/dbraw/zinc/69/52/46/660695246.db2.gz USUNKSHTFMNAPG-UHFFFAOYSA-N -1 0 370.225 -0.095 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cnc(OCc2ccccc2)cn1 ZINC000759641802 660695765 /nfs/dbraw/zinc/69/57/65/660695765.db2.gz AHQBJNJZPGOAQD-UHFFFAOYSA-N -1 0 350.356 -0.400 20 0 FBADRM COCCOc1ccc(CC(=O)[N-]S(=O)(=O)c2cnnn2C)cc1 ZINC000759678038 660695702 /nfs/dbraw/zinc/69/57/02/660695702.db2.gz ZJEOJUSECRUAJV-UHFFFAOYSA-N -1 0 354.388 -0.112 20 0 FBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(OC)nc2)CC1=O ZINC000759800324 660696779 /nfs/dbraw/zinc/69/67/79/660696779.db2.gz HCNPKROZRSXTQT-JTQLQIEISA-N -1 0 357.388 -0.610 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(OC)nc2)CC1=O ZINC000759800329 660696754 /nfs/dbraw/zinc/69/67/54/660696754.db2.gz HCNPKROZRSXTQT-SNVBAGLBSA-N -1 0 357.388 -0.610 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CCN2CCCS2(=O)=O)cn1 ZINC000759803576 660696977 /nfs/dbraw/zinc/69/69/77/660696977.db2.gz JCOLSWUJEGWUFJ-UHFFFAOYSA-N -1 0 363.417 -0.679 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2S(C)(=O)=O)cn1 ZINC000759805765 660696944 /nfs/dbraw/zinc/69/69/44/660696944.db2.gz QNOZYJHTUZNLMX-JTQLQIEISA-N -1 0 363.417 -0.681 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2S(C)(=O)=O)cn1 ZINC000759805767 660696769 /nfs/dbraw/zinc/69/67/69/660696769.db2.gz QNOZYJHTUZNLMX-SNVBAGLBSA-N -1 0 363.417 -0.681 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)c1ccc(OC)nc1 ZINC000759807908 660696834 /nfs/dbraw/zinc/69/68/34/660696834.db2.gz WCXRLTAFCHUDHO-UHFFFAOYSA-N -1 0 365.433 -0.433 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cn(CC3(C)COC3)nn2)cn1 ZINC000759822710 660697270 /nfs/dbraw/zinc/69/72/70/660697270.db2.gz COFHCGZZQUAKLG-UHFFFAOYSA-N -1 0 367.387 -0.163 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CCCN2C(=O)CNC2=O)cn1 ZINC000759824082 660697310 /nfs/dbraw/zinc/69/73/10/660697310.db2.gz KXIVHEYBPUBODY-UHFFFAOYSA-N -1 0 356.360 -0.773 20 0 FBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(OC)nc2)cn1 ZINC000759824846 660697202 /nfs/dbraw/zinc/69/72/02/660697202.db2.gz QLXRXXZSPHXMSW-UHFFFAOYSA-N -1 0 350.356 -0.037 20 0 FBADRM COC(=O)c1cnc(C(=O)[N-]S(=O)(=O)c2ccc(OC)nc2)cn1 ZINC000759830735 660697276 /nfs/dbraw/zinc/69/72/76/660697276.db2.gz GRLRYXYROBDBBK-UHFFFAOYSA-N -1 0 352.328 -0.215 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CCCN2C(=O)CCC2=O)cn1 ZINC000759830876 660697299 /nfs/dbraw/zinc/69/72/99/660697299.db2.gz JLGGKPJCKOMHTJ-UHFFFAOYSA-N -1 0 355.372 -0.176 20 0 FBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1ccc(OC)nc1)C(C)C ZINC000759834749 660697235 /nfs/dbraw/zinc/69/72/35/660697235.db2.gz YDQHTLTZMALTSC-ZDUSSCGKSA-N -1 0 359.404 -0.318 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@]23CCC(=O)N2CCS3)cn1 ZINC000759834763 660697343 /nfs/dbraw/zinc/69/73/43/660697343.db2.gz YLTOQMZUMITCHF-CYBMUJFWSA-N -1 0 357.413 -0.039 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@]23CCC(=O)N2CCS3)cn1 ZINC000759834765 660697257 /nfs/dbraw/zinc/69/72/57/660697257.db2.gz YLTOQMZUMITCHF-ZDUSSCGKSA-N -1 0 357.413 -0.039 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)N2CCOCC2)cn1 ZINC000759840341 660697215 /nfs/dbraw/zinc/69/72/15/660697215.db2.gz GADDZGNTEPLTAB-UHFFFAOYSA-N -1 0 357.388 -0.466 20 0 FBADRM COC(=O)C1(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCSCC1 ZINC000759902887 660698165 /nfs/dbraw/zinc/69/81/65/660698165.db2.gz UEDPIUNJGDTGEE-UHFFFAOYSA-N -1 0 351.388 -0.374 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1 ZINC000760068904 660700458 /nfs/dbraw/zinc/70/04/58/660700458.db2.gz OJFLBMSWBKTGRW-UHFFFAOYSA-N -1 0 352.357 -0.324 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000760073099 660700405 /nfs/dbraw/zinc/70/04/05/660700405.db2.gz CCAWPLJVKIIKMM-UHFFFAOYSA-N -1 0 364.368 -0.134 20 0 FBADRM CCn1c(=O)c2ccc(C(=O)N[C@H](COC)C(N)=O)cc2[n-]c1=S ZINC000760075075 660700848 /nfs/dbraw/zinc/70/08/48/660700848.db2.gz FPHPQUWOFVQKTE-LLVKDONJSA-N -1 0 350.400 -0.065 20 0 FBADRM CCn1c(=O)c2ccc(C(=O)N[C@@H](COC)C(N)=O)cc2[n-]c1=S ZINC000760075076 660700817 /nfs/dbraw/zinc/70/08/17/660700817.db2.gz FPHPQUWOFVQKTE-NSHDSACASA-N -1 0 350.400 -0.065 20 0 FBADRM COC[C@@H](NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)C(N)=O ZINC000760077166 660700842 /nfs/dbraw/zinc/70/08/42/660700842.db2.gz DTQUZNCCHWDQTK-LLVKDONJSA-N -1 0 350.400 -0.308 20 0 FBADRM COC[C@H](NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)C(N)=O ZINC000760077215 660700834 /nfs/dbraw/zinc/70/08/34/660700834.db2.gz DTQUZNCCHWDQTK-NSHDSACASA-N -1 0 350.400 -0.308 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)N(CCOC)CC(=O)[O-])CC1 ZINC000760099011 600747627 /nfs/dbraw/zinc/74/76/27/600747627.db2.gz ADIYXZDCHVSNDJ-UHFFFAOYSA-N -1 0 352.409 -0.030 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)NCCCCCCC(=O)[O-])CC1 ZINC000760104419 601131690 /nfs/dbraw/zinc/13/16/90/601131690.db2.gz MVAVIJDNBULZKU-UHFFFAOYSA-N -1 0 371.481 -0.567 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1 ZINC000760106362 660701508 /nfs/dbraw/zinc/70/15/08/660701508.db2.gz GXOBXKCVMUSFIQ-UHFFFAOYSA-N -1 0 352.357 -0.276 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000760109353 660701343 /nfs/dbraw/zinc/70/13/43/660701343.db2.gz DHUOZSHIAMYKRV-MRVPVSSYSA-N -1 0 359.370 -0.016 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000760109354 660701317 /nfs/dbraw/zinc/70/13/17/660701317.db2.gz DHUOZSHIAMYKRV-QMMMGPOBSA-N -1 0 359.370 -0.016 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000760113540 660701353 /nfs/dbraw/zinc/70/13/53/660701353.db2.gz IGVMMMYZZCXSRN-UHFFFAOYSA-N -1 0 359.370 -0.016 20 0 FBADRM COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000760116670 601575738 /nfs/dbraw/zinc/57/57/38/601575738.db2.gz LPNYBBKMIIVABJ-SSDOTTSWSA-N -1 0 364.763 -0.004 20 0 FBADRM COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000760116672 601575899 /nfs/dbraw/zinc/57/58/99/601575899.db2.gz LPNYBBKMIIVABJ-ZETCQYMHSA-N -1 0 364.763 -0.004 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000760117503 600738326 /nfs/dbraw/zinc/73/83/26/600738326.db2.gz AIWOQNVIDBOANM-LLVKDONJSA-N -1 0 350.393 -0.278 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000760117506 600738576 /nfs/dbraw/zinc/73/85/76/600738576.db2.gz AIWOQNVIDBOANM-NSHDSACASA-N -1 0 350.393 -0.278 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)CC1 ZINC000760118070 601579648 /nfs/dbraw/zinc/57/96/48/601579648.db2.gz RUJWMTDGFNXHIF-UHFFFAOYSA-N -1 0 369.465 -0.815 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000760124859 660701348 /nfs/dbraw/zinc/70/13/48/660701348.db2.gz ANWDPSNCSLWLMG-MRVPVSSYSA-N -1 0 374.385 -0.525 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000760124862 660701467 /nfs/dbraw/zinc/70/14/67/660701467.db2.gz ANWDPSNCSLWLMG-QMMMGPOBSA-N -1 0 374.385 -0.525 20 0 FBADRM CC(=O)N1CCN(CCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1 ZINC000760126226 660701535 /nfs/dbraw/zinc/70/15/35/660701535.db2.gz ALYSOGKZSJKWPK-UHFFFAOYSA-N -1 0 352.357 -0.276 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2cn(C(C)C)cn2)CC1=O ZINC000760138012 660701529 /nfs/dbraw/zinc/70/15/29/660701529.db2.gz QEDUGBIIRINLPB-LLVKDONJSA-N -1 0 358.420 -0.236 20 0 FBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2cn(C(C)C)cn2)CC1=O ZINC000760138013 660701826 /nfs/dbraw/zinc/70/18/26/660701826.db2.gz QEDUGBIIRINLPB-NSHDSACASA-N -1 0 358.420 -0.236 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)[N-]OCC(F)F)s1 ZINC000760146096 660701765 /nfs/dbraw/zinc/70/17/65/660701765.db2.gz GFFSYCRAXORJCV-UHFFFAOYSA-N -1 0 371.387 -0.025 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000760147446 660701819 /nfs/dbraw/zinc/70/18/19/660701819.db2.gz JKYWJGSUUOMIPY-UHFFFAOYSA-N -1 0 359.370 -0.710 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000760147924 660701805 /nfs/dbraw/zinc/70/18/05/660701805.db2.gz DGKBGBICFSZOFX-GFCCVEGCSA-N -1 0 368.415 -0.877 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000760147925 660701746 /nfs/dbraw/zinc/70/17/46/660701746.db2.gz DGKBGBICFSZOFX-LBPRGKRZSA-N -1 0 368.415 -0.877 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[N-]OCC(F)F ZINC000760148441 660701734 /nfs/dbraw/zinc/70/17/34/660701734.db2.gz QPBLSPONNQASDE-SSDOTTSWSA-N -1 0 351.331 -0.235 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[N-]OCC(F)F ZINC000760148447 660701816 /nfs/dbraw/zinc/70/18/16/660701816.db2.gz QPBLSPONNQASDE-ZETCQYMHSA-N -1 0 351.331 -0.235 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCCC1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000760149418 660701777 /nfs/dbraw/zinc/70/17/77/660701777.db2.gz UTUQJKVZDLSAJS-GFCCVEGCSA-N -1 0 352.416 -0.113 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCCC1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000760149419 660701659 /nfs/dbraw/zinc/70/16/59/660701659.db2.gz UTUQJKVZDLSAJS-LBPRGKRZSA-N -1 0 352.416 -0.113 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)[N-]OCC(F)F ZINC000760150333 660701782 /nfs/dbraw/zinc/70/17/82/660701782.db2.gz IVYNVBMMAROFGK-UHFFFAOYSA-N -1 0 351.287 -0.445 20 0 FBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)O1 ZINC000760150461 660701750 /nfs/dbraw/zinc/70/17/50/660701750.db2.gz QRFMREMQYYYXGZ-BXKDBHETSA-N -1 0 362.411 -0.166 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)O1 ZINC000760150462 660701683 /nfs/dbraw/zinc/70/16/83/660701683.db2.gz QRFMREMQYYYXGZ-CABZTGNLSA-N -1 0 362.411 -0.166 20 0 FBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)O1 ZINC000760150463 660701758 /nfs/dbraw/zinc/70/17/58/660701758.db2.gz QRFMREMQYYYXGZ-JOYOIKCWSA-N -1 0 362.411 -0.166 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)O1 ZINC000760150464 660701795 /nfs/dbraw/zinc/70/17/95/660701795.db2.gz QRFMREMQYYYXGZ-SKDRFNHKSA-N -1 0 362.411 -0.166 20 0 FBADRM COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)c2cc(=O)[nH][n-]2)cc1 ZINC000760151317 660701730 /nfs/dbraw/zinc/70/17/30/660701730.db2.gz ZMVIQCUZBYNOCK-UHFFFAOYSA-N -1 0 367.383 -0.734 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000760152742 660701812 /nfs/dbraw/zinc/70/18/12/660701812.db2.gz KNHABQWANODCIP-MRVPVSSYSA-N -1 0 359.370 -0.016 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000760152744 660701738 /nfs/dbraw/zinc/70/17/38/660701738.db2.gz KNHABQWANODCIP-QMMMGPOBSA-N -1 0 359.370 -0.016 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1cn(CC2(C)COC2)nn1 ZINC000760178342 660702079 /nfs/dbraw/zinc/70/20/79/660702079.db2.gz AJHGIBIHYWGFFF-UHFFFAOYSA-N -1 0 368.419 -0.216 20 0 FBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)co1 ZINC000760180088 660702019 /nfs/dbraw/zinc/70/20/19/660702019.db2.gz XFPOIMGDZXTCIQ-UHFFFAOYSA-N -1 0 362.327 -0.527 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cnc3nccnc3c2)cc1C(N)=O ZINC000760181665 660702174 /nfs/dbraw/zinc/70/21/74/660702174.db2.gz FAYKVFSOJYOCFZ-UHFFFAOYSA-N -1 0 360.355 -0.419 20 0 FBADRM COC(=O)c1coc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 ZINC000760182603 660702068 /nfs/dbraw/zinc/70/20/68/660702068.db2.gz LFTQNLDENOYPQV-UHFFFAOYSA-N -1 0 355.328 -0.378 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)c1coc(C(N)=O)c1 ZINC000760183148 660702160 /nfs/dbraw/zinc/70/21/60/660702160.db2.gz MPVMMVULRQPZGW-UHFFFAOYSA-N -1 0 366.355 -0.406 20 0 FBADRM COC(=O)c1cncc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 ZINC000760183181 660702129 /nfs/dbraw/zinc/70/21/29/660702129.db2.gz MQLCYOFMWMHANJ-UHFFFAOYSA-N -1 0 366.355 -0.576 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2coc(C(N)=O)c2)c1 ZINC000760195838 660702157 /nfs/dbraw/zinc/70/21/57/660702157.db2.gz MOADQEGBSMRJCX-UHFFFAOYSA-N -1 0 372.380 -0.099 20 0 FBADRM CC1(Cn2cc(C(=O)[N-]S(=O)(=O)C[C@H]3CCCCO3)nn2)COC1 ZINC000760199747 660701986 /nfs/dbraw/zinc/70/19/86/660701986.db2.gz GLWMTMQGWIIVRJ-LLVKDONJSA-N -1 0 358.420 -0.057 20 0 FBADRM CC1(Cn2cc(C(=O)[N-]S(=O)(=O)C[C@@H]3CCCCO3)nn2)COC1 ZINC000760199748 660702165 /nfs/dbraw/zinc/70/21/65/660702165.db2.gz GLWMTMQGWIIVRJ-NSHDSACASA-N -1 0 358.420 -0.057 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2cn(CC3(C)COC3)nn2)c1Cl ZINC000760200217 660702062 /nfs/dbraw/zinc/70/20/62/660702062.db2.gz FXJKKGNPZMWZGE-UHFFFAOYSA-N -1 0 374.810 -0.180 20 0 FBADRM COC(=O)c1coc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)OC)CC2)c1 ZINC000760200716 660702137 /nfs/dbraw/zinc/70/21/37/660702137.db2.gz AEVWXVULXAMSSN-UHFFFAOYSA-N -1 0 374.371 -0.074 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2coc(C(N)=O)c2)CC1 ZINC000760202992 660702163 /nfs/dbraw/zinc/70/21/63/660702163.db2.gz UPKCPIDFFZMRDA-UHFFFAOYSA-N -1 0 359.360 -0.762 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1coc(C(N)=O)c1 ZINC000760203157 660702152 /nfs/dbraw/zinc/70/21/52/660702152.db2.gz HVUPGIYKVINSJJ-SECBINFHSA-N -1 0 359.360 -0.619 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1coc(C(N)=O)c1 ZINC000760203160 660702132 /nfs/dbraw/zinc/70/21/32/660702132.db2.gz HVUPGIYKVINSJJ-VIFPVBQESA-N -1 0 359.360 -0.619 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1 ZINC000760207146 660702110 /nfs/dbraw/zinc/70/21/10/660702110.db2.gz AZXNUKJRSGLUBB-UHFFFAOYSA-N -1 0 359.370 -0.063 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N3CCN(C(=O)CO)CC3)cc2[n-]c1=S ZINC000760207439 660702053 /nfs/dbraw/zinc/70/20/53/660702053.db2.gz AASMSDVWBIBSPB-UHFFFAOYSA-N -1 0 362.411 -0.501 20 0 FBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)co1 ZINC000760215589 660702399 /nfs/dbraw/zinc/70/23/99/660702399.db2.gz FYKSAUDCCURWEP-UHFFFAOYSA-N -1 0 363.351 -0.217 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2coc(C(N)=O)c2)cc1 ZINC000760216862 660702337 /nfs/dbraw/zinc/70/23/37/660702337.db2.gz IZCHRUDBJOLLKQ-UHFFFAOYSA-N -1 0 372.380 -0.099 20 0 FBADRM CC(C)(C)OC(=O)NCC1(C(=O)[N-]S(=O)(=O)N2CCOCC2)CC1 ZINC000760219251 660702299 /nfs/dbraw/zinc/70/22/99/660702299.db2.gz UCMJXEUIHBEKIW-UHFFFAOYSA-N -1 0 363.436 -0.016 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2coc(C(N)=O)c2)cc1C(N)=O ZINC000760219624 660702260 /nfs/dbraw/zinc/70/22/60/660702260.db2.gz ZFXWATZQYDYBDD-UHFFFAOYSA-N -1 0 351.340 -0.095 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCCN1CCCS1(=O)=O ZINC000760222401 660702365 /nfs/dbraw/zinc/70/23/65/660702365.db2.gz COYGUGRUZXCWQS-UHFFFAOYSA-N -1 0 359.370 -0.015 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cn(CC3(C)COC3)nn2)cn1 ZINC000760225653 660702414 /nfs/dbraw/zinc/70/24/14/660702414.db2.gz DRGCSKOEIDRLHX-UHFFFAOYSA-N -1 0 354.392 -0.350 20 0 FBADRM COC(=O)c1coc(C(=O)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)c1 ZINC000760252031 660702363 /nfs/dbraw/zinc/70/23/63/660702363.db2.gz RPXRJBLJWIYSJN-UHFFFAOYSA-N -1 0 374.356 -0.005 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000760255682 660702383 /nfs/dbraw/zinc/70/23/83/660702383.db2.gz GULYNDHYDKHFPZ-MRVPVSSYSA-N -1 0 366.340 -0.703 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000760255686 660702355 /nfs/dbraw/zinc/70/23/55/660702355.db2.gz GULYNDHYDKHFPZ-QMMMGPOBSA-N -1 0 366.340 -0.703 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2coc(C(N)=O)c2)cc1 ZINC000760255936 660702271 /nfs/dbraw/zinc/70/22/71/660702271.db2.gz LHPSOVKQZUQZOU-UHFFFAOYSA-N -1 0 351.340 -0.143 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000760257506 660702404 /nfs/dbraw/zinc/70/24/04/660702404.db2.gz VLASZIWTBLZFNI-UHFFFAOYSA-N -1 0 359.370 -0.029 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cn(CC3(C)COC3)nn2)nc1C ZINC000760257858 660702323 /nfs/dbraw/zinc/70/23/23/660702323.db2.gz VWGKGUILUMNPPW-UHFFFAOYSA-N -1 0 368.419 -0.042 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000760306680 660702971 /nfs/dbraw/zinc/70/29/71/660702971.db2.gz HZPORWOQBOQNFI-MRVPVSSYSA-N -1 0 359.370 -0.029 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000760306682 660702855 /nfs/dbraw/zinc/70/28/55/660702855.db2.gz HZPORWOQBOQNFI-QMMMGPOBSA-N -1 0 359.370 -0.029 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCC(=O)NCCN1CCOCC1 ZINC000760323646 660702860 /nfs/dbraw/zinc/70/28/60/660702860.db2.gz SHKCZZXFYMNWRD-UHFFFAOYSA-N -1 0 368.356 -0.992 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1 ZINC000760333751 660702869 /nfs/dbraw/zinc/70/28/69/660702869.db2.gz UJQAHZLPMIAJEZ-UHFFFAOYSA-N -1 0 352.357 -0.276 20 0 FBADRM COc1ccccc1CS(=O)(=O)[N-]C(=O)CN1CCCS1(=O)=O ZINC000760354448 660702791 /nfs/dbraw/zinc/70/27/91/660702791.db2.gz ZCUYHLRVPOCJKV-UHFFFAOYSA-N -1 0 362.429 -0.323 20 0 FBADRM COc1ccccc1CS(=O)(=O)[N-]C(=O)c1cn(CC(N)=O)nn1 ZINC000760358052 660702823 /nfs/dbraw/zinc/70/28/23/660702823.db2.gz OYWYDOBGJALQKV-UHFFFAOYSA-N -1 0 353.360 -0.968 20 0 FBADRM COc1ccccc1CS(=O)(=O)[N-]C(=O)CCCN1C(=O)CNC1=O ZINC000760360006 660702965 /nfs/dbraw/zinc/70/29/65/660702965.db2.gz ZIUGDBXLRQTOJJ-UHFFFAOYSA-N -1 0 369.399 -0.027 20 0 FBADRM COc1ccccc1CS(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O ZINC000760364455 660702936 /nfs/dbraw/zinc/70/29/36/660702936.db2.gz ZJFSXRHSHYCIQY-UHFFFAOYSA-N -1 0 350.418 -0.467 20 0 FBADRM COc1ccccc1CS(=O)(=O)[N-]C(=O)Cn1ccc(=O)n(C)c1=O ZINC000760365489 660703202 /nfs/dbraw/zinc/70/32/02/660703202.db2.gz MSMVUDAFQTWRGB-UHFFFAOYSA-N -1 0 367.383 -0.798 20 0 FBADRM COc1ccccc1CS(=O)(=O)[N-]C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000760366124 660703270 /nfs/dbraw/zinc/70/32/70/660703270.db2.gz KKGCUHBCCSWGPX-UHFFFAOYSA-N -1 0 353.356 -0.246 20 0 FBADRM C[S@@](=O)CCN1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1 ZINC000760368249 660703391 /nfs/dbraw/zinc/70/33/91/660703391.db2.gz NIJFYNQNWMSZOX-HSZRJFAPSA-N -1 0 357.398 -0.034 20 0 FBADRM C[S@](=O)CCN1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1 ZINC000760368250 660703353 /nfs/dbraw/zinc/70/33/53/660703353.db2.gz NIJFYNQNWMSZOX-QHCPKHFHSA-N -1 0 357.398 -0.034 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN(CCn2cncn2)CC1 ZINC000760369205 660703316 /nfs/dbraw/zinc/70/33/16/660703316.db2.gz UNUHAYYHDAFYBJ-UHFFFAOYSA-N -1 0 362.356 -0.121 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000760383325 660703362 /nfs/dbraw/zinc/70/33/62/660703362.db2.gz MYBSJOQTSKGLKW-UHFFFAOYSA-N -1 0 352.357 -0.148 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000760392239 660703287 /nfs/dbraw/zinc/70/32/87/660703287.db2.gz GVSHZRPHXYOTOP-CPFSXVBKSA-N -1 0 364.324 -0.062 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000760392274 660703327 /nfs/dbraw/zinc/70/33/27/660703327.db2.gz GVSHZRPHXYOTOP-FUXBKTLASA-N -1 0 364.324 -0.062 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000760392277 660703396 /nfs/dbraw/zinc/70/33/96/660703396.db2.gz GVSHZRPHXYOTOP-UHLUBPPHSA-N -1 0 364.324 -0.062 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000760392285 660703243 /nfs/dbraw/zinc/70/32/43/660703243.db2.gz GVSHZRPHXYOTOP-WPPNPWJKSA-N -1 0 364.324 -0.062 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000760413204 660703305 /nfs/dbraw/zinc/70/33/05/660703305.db2.gz SMWHZEXQNDZOHO-MRVPVSSYSA-N -1 0 359.370 -0.016 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000760413205 660703340 /nfs/dbraw/zinc/70/33/40/660703340.db2.gz SMWHZEXQNDZOHO-QMMMGPOBSA-N -1 0 359.370 -0.016 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000760419192 660703235 /nfs/dbraw/zinc/70/32/35/660703235.db2.gz QGCFRCVSGQQFCJ-JTQLQIEISA-N -1 0 355.357 -0.405 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000760419195 660703778 /nfs/dbraw/zinc/70/37/78/660703778.db2.gz QGCFRCVSGQQFCJ-SNVBAGLBSA-N -1 0 355.357 -0.405 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)[N-]OCC(F)F)c1 ZINC000760458071 660703577 /nfs/dbraw/zinc/70/35/77/660703577.db2.gz DTRKGQMDUOHPKU-UHFFFAOYSA-N -1 0 365.358 -0.020 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1cnn(CC(=O)NCCO)c1 ZINC000760492993 660703761 /nfs/dbraw/zinc/70/37/61/660703761.db2.gz ZHHRHCAXYZZLFL-UHFFFAOYSA-N -1 0 365.312 -0.613 20 0 FBADRM COC(=O)c1cn(C2CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C2)nn1 ZINC000760497384 660703755 /nfs/dbraw/zinc/70/37/55/660703755.db2.gz WDRBUZDFCMZROK-UHFFFAOYSA-N -1 0 363.296 -0.095 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[N-]OCCO)cc1C ZINC000760517911 660704179 /nfs/dbraw/zinc/70/41/79/660704179.db2.gz RPUATKLNOOJKGG-CYBMUJFWSA-N -1 0 373.431 -0.744 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[N-]OCCO)cc1C ZINC000760517914 660703974 /nfs/dbraw/zinc/70/39/74/660703974.db2.gz RPUATKLNOOJKGG-ZDUSSCGKSA-N -1 0 373.431 -0.744 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)c1n[n-]c2ccccc2c1=O ZINC000760640318 660704564 /nfs/dbraw/zinc/70/45/64/660704564.db2.gz IWKXANVHQAELAU-UHFFFAOYSA-N -1 0 353.404 -0.102 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000760642222 660704616 /nfs/dbraw/zinc/70/46/16/660704616.db2.gz TYRLAPUJPBAPOQ-UHFFFAOYSA-N -1 0 362.374 -0.608 20 0 FBADRM C[C@H](CC(=O)NCc1n[nH]c(=O)[n-]1)NS(=O)(=O)c1cccnc1Cl ZINC000760700448 660704652 /nfs/dbraw/zinc/70/46/52/660704652.db2.gz ISZQQZILWUTNSA-SSDOTTSWSA-N -1 0 374.810 -0.068 20 0 FBADRM C[C@@H](CC(=O)NCc1n[nH]c(=O)[n-]1)NS(=O)(=O)c1cccnc1Cl ZINC000760700449 660704713 /nfs/dbraw/zinc/70/47/13/660704713.db2.gz ISZQQZILWUTNSA-ZETCQYMHSA-N -1 0 374.810 -0.068 20 0 FBADRM COC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C(N)=O ZINC000760886751 660706324 /nfs/dbraw/zinc/70/63/24/660706324.db2.gz DGDATAZHZXDESH-GFCCVEGCSA-N -1 0 371.415 -0.593 20 0 FBADRM COC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C(N)=O ZINC000760886753 660706199 /nfs/dbraw/zinc/70/61/99/660706199.db2.gz DGDATAZHZXDESH-LBPRGKRZSA-N -1 0 371.415 -0.593 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnn2)cc1 ZINC000761007448 660707052 /nfs/dbraw/zinc/70/70/52/660707052.db2.gz GMTRXTBXICTUDY-UHFFFAOYSA-N -1 0 354.388 -0.010 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CS(C)(=O)=O)nc1 ZINC000761009747 660707033 /nfs/dbraw/zinc/70/70/33/660707033.db2.gz DKAUZRSHGOFAIZ-UHFFFAOYSA-N -1 0 350.374 -0.892 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCCCNC(N)=O)nc1 ZINC000761010447 660707016 /nfs/dbraw/zinc/70/70/16/660707016.db2.gz HCCAZSJTRLGVOA-UHFFFAOYSA-N -1 0 372.403 -0.098 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C(=O)C2)nc1 ZINC000761011580 660707069 /nfs/dbraw/zinc/70/70/69/660707069.db2.gz LPAGSIBMRHHNPQ-JTQLQIEISA-N -1 0 369.399 -0.068 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C(=O)C2)nc1 ZINC000761011582 660706981 /nfs/dbraw/zinc/70/69/81/660706981.db2.gz LPAGSIBMRHHNPQ-SNVBAGLBSA-N -1 0 369.399 -0.068 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)COC)nc1 ZINC000761012807 660706946 /nfs/dbraw/zinc/70/69/46/660706946.db2.gz MPHWVVARFSTSJA-UHFFFAOYSA-N -1 0 373.387 -0.832 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)Cn2ccccc2=O)nc1 ZINC000761012911 660707116 /nfs/dbraw/zinc/70/71/16/660707116.db2.gz NSXGSWIQGURPTI-UHFFFAOYSA-N -1 0 365.367 -0.075 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)OC)nc1 ZINC000761013652 660707058 /nfs/dbraw/zinc/70/70/58/660707058.db2.gz SOVAMVJFQIJMNO-UHFFFAOYSA-N -1 0 359.360 -0.239 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)CC)nc1 ZINC000761017188 660707119 /nfs/dbraw/zinc/70/71/19/660707119.db2.gz ITCQHXURSCFLNF-SECBINFHSA-N -1 0 357.388 -0.022 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)CC)nc1 ZINC000761017193 660706943 /nfs/dbraw/zinc/70/69/43/660706943.db2.gz ITCQHXURSCFLNF-VIFPVBQESA-N -1 0 357.388 -0.022 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)C2CC2)nc1 ZINC000761017228 660706931 /nfs/dbraw/zinc/70/69/31/660706931.db2.gz MEMISOBIPGMECO-UHFFFAOYSA-N -1 0 369.399 -0.068 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2nnn(C)c2C)nc1 ZINC000761017535 660707090 /nfs/dbraw/zinc/70/70/90/660707090.db2.gz NFIWGDHTSJGUKT-UHFFFAOYSA-N -1 0 353.360 -0.186 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(N)=O)c2)nc1 ZINC000761017667 660707104 /nfs/dbraw/zinc/70/71/04/660707104.db2.gz MOZMHRDLVZNQSW-UHFFFAOYSA-N -1 0 366.355 -0.196 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCNC(=O)OC)nc1 ZINC000761018143 660706951 /nfs/dbraw/zinc/70/69/51/660706951.db2.gz PEWXEXOZTFXTNA-UHFFFAOYSA-N -1 0 359.360 -0.191 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)NC)CCC2)nc1 ZINC000761020626 660706957 /nfs/dbraw/zinc/70/69/57/660706957.db2.gz GXSVFMUGMWIIPC-UHFFFAOYSA-N -1 0 369.399 -0.021 20 0 FBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)OCC)cn1 ZINC000761021181 660706939 /nfs/dbraw/zinc/70/69/39/660706939.db2.gz HXRGWPBDTCZPMN-UHFFFAOYSA-N -1 0 357.388 -0.021 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)nc1 ZINC000761021250 660707001 /nfs/dbraw/zinc/70/70/01/660707001.db2.gz JASCMPNBHKMDHP-SECBINFHSA-N -1 0 355.372 -0.411 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)nc1 ZINC000761021251 660707094 /nfs/dbraw/zinc/70/70/94/660707094.db2.gz JASCMPNBHKMDHP-VIFPVBQESA-N -1 0 355.372 -0.411 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)c1 ZINC000761056794 660707769 /nfs/dbraw/zinc/70/77/69/660707769.db2.gz NMIUUSSJMWHXPZ-JTQLQIEISA-N -1 0 364.387 -0.792 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)c1 ZINC000761056798 660707829 /nfs/dbraw/zinc/70/78/29/660707829.db2.gz NMIUUSSJMWHXPZ-SNVBAGLBSA-N -1 0 364.387 -0.792 20 0 FBADRM O=C([N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cncnc1 ZINC000761097936 660707886 /nfs/dbraw/zinc/70/78/86/660707886.db2.gz CKLHKABUJFHYFB-UHFFFAOYSA-N -1 0 360.351 -0.168 20 0 FBADRM Cn1cc(-n2cc(C(=O)[N-]S(=O)(=O)c3cnn(C)c3)ccc2=O)cn1 ZINC000761099000 660707939 /nfs/dbraw/zinc/70/79/39/660707939.db2.gz JMBQXQQJDREKSK-UHFFFAOYSA-N -1 0 362.371 -0.577 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000761104320 660707937 /nfs/dbraw/zinc/70/79/37/660707937.db2.gz KSXQPTDJLJYDQB-UHFFFAOYSA-N -1 0 353.404 -0.114 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000761104326 660707893 /nfs/dbraw/zinc/70/78/93/660707893.db2.gz LAYZPLWBMKZERN-UHFFFAOYSA-N -1 0 354.388 -0.333 20 0 FBADRM COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)cc1 ZINC000761104449 660707873 /nfs/dbraw/zinc/70/78/73/660707873.db2.gz HNQLHVLAOWJAQV-GFCCVEGCSA-N -1 0 354.384 -0.055 20 0 FBADRM COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)cc1 ZINC000761104452 660707949 /nfs/dbraw/zinc/70/79/49/660707949.db2.gz HNQLHVLAOWJAQV-LBPRGKRZSA-N -1 0 354.384 -0.055 20 0 FBADRM Cn1cc(-n2cc(C(=O)[N-]S(=O)(=O)N3CCCC3)ccc2=O)cn1 ZINC000761106261 660707948 /nfs/dbraw/zinc/70/79/48/660707948.db2.gz QDGDDOIHXVPYDG-UHFFFAOYSA-N -1 0 351.388 -0.359 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000761108449 660707947 /nfs/dbraw/zinc/70/79/47/660707947.db2.gz SXOGFCRPWIZYLR-JTQLQIEISA-N -1 0 354.388 -0.335 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000761108451 660707857 /nfs/dbraw/zinc/70/78/57/660707857.db2.gz SXOGFCRPWIZYLR-SNVBAGLBSA-N -1 0 354.388 -0.335 20 0 FBADRM Cn1cc(-n2cc(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)ccc2=O)cn1 ZINC000761110090 660708090 /nfs/dbraw/zinc/70/80/90/660708090.db2.gz ZIPJBNQEHSLOCZ-GFCCVEGCSA-N -1 0 352.372 -0.581 20 0 FBADRM Cn1cc(-n2cc(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)ccc2=O)cn1 ZINC000761110091 660708033 /nfs/dbraw/zinc/70/80/33/660708033.db2.gz ZIPJBNQEHSLOCZ-LBPRGKRZSA-N -1 0 352.372 -0.581 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000761115435 660708082 /nfs/dbraw/zinc/70/80/82/660708082.db2.gz MWYHLFUGTCLFCD-UHFFFAOYSA-N -1 0 369.403 -0.876 20 0 FBADRM Cn1cc(-n2cc(C(=O)[N-]S(=O)(=O)c3cnccn3)ccc2=O)cn1 ZINC000761115842 660708105 /nfs/dbraw/zinc/70/81/05/660708105.db2.gz USDSNAFMFOPRBQ-UHFFFAOYSA-N -1 0 360.355 -0.520 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000761115911 660708015 /nfs/dbraw/zinc/70/80/15/660708015.db2.gz WKYSWZPCHGLXFZ-UHFFFAOYSA-N -1 0 353.404 -0.113 20 0 FBADRM Cn1cc(-n2cc(C(=O)[N-]S(=O)(=O)C[C@H]3CCCO3)ccc2=O)cn1 ZINC000761168851 660708372 /nfs/dbraw/zinc/70/83/72/660708372.db2.gz VEQUXSXJBQIFMP-CYBMUJFWSA-N -1 0 366.399 -0.190 20 0 FBADRM Cn1cc(-n2cc(C(=O)[N-]S(=O)(=O)C[C@@H]3CCCO3)ccc2=O)cn1 ZINC000761168854 660708199 /nfs/dbraw/zinc/70/81/99/660708199.db2.gz VEQUXSXJBQIFMP-ZDUSSCGKSA-N -1 0 366.399 -0.190 20 0 FBADRM Cn1cc(-n2cc(C(=O)[N-]S(=O)(=O)[C@@H]3CCCOC3)ccc2=O)cn1 ZINC000761169052 660708441 /nfs/dbraw/zinc/70/84/41/660708441.db2.gz XWXSLLNXGMYWSF-CYBMUJFWSA-N -1 0 366.399 -0.190 20 0 FBADRM Cn1cc(-n2cc(C(=O)[N-]S(=O)(=O)[C@H]3CCCOC3)ccc2=O)cn1 ZINC000761169053 660708232 /nfs/dbraw/zinc/70/82/32/660708232.db2.gz XWXSLLNXGMYWSF-ZDUSSCGKSA-N -1 0 366.399 -0.190 20 0 FBADRM CCN(CC)C(=O)CN1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000761242322 600697265 /nfs/dbraw/zinc/69/72/65/600697265.db2.gz LPTAIWFQMIAVRN-UHFFFAOYSA-N -1 0 372.447 -0.112 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1)C(N)=O ZINC000761245098 660708730 /nfs/dbraw/zinc/70/87/30/660708730.db2.gz XLMCNVYQBKKXNB-DTWKUNHWSA-N -1 0 355.372 -0.724 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1)C(N)=O ZINC000761245101 660708717 /nfs/dbraw/zinc/70/87/17/660708717.db2.gz XLMCNVYQBKKXNB-IUCAKERBSA-N -1 0 355.372 -0.724 20 0 FBADRM CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)NCC(=O)NC ZINC000761247822 660708791 /nfs/dbraw/zinc/70/87/91/660708791.db2.gz BIWBMFIMRZHUNQ-UHFFFAOYSA-N -1 0 365.433 -0.519 20 0 FBADRM CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000761257579 600703153 /nfs/dbraw/zinc/70/31/53/600703153.db2.gz ZWMXXYQKRRPKDX-LLVKDONJSA-N -1 0 372.447 -0.066 20 0 FBADRM CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000761257581 600703265 /nfs/dbraw/zinc/70/32/65/600703265.db2.gz ZWMXXYQKRRPKDX-NSHDSACASA-N -1 0 372.447 -0.066 20 0 FBADRM CC(C)OC(=O)CNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000761263513 660708918 /nfs/dbraw/zinc/70/89/18/660708918.db2.gz JROSHMXPNFRGPC-UHFFFAOYSA-N -1 0 358.372 -0.269 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000761285504 660708912 /nfs/dbraw/zinc/70/89/12/660708912.db2.gz YSRIJSBWWBPVBH-UHFFFAOYSA-N -1 0 351.425 -0.017 20 0 FBADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(CC(N)=O)CC(N)=O)c1Cl ZINC000761287224 660708915 /nfs/dbraw/zinc/70/89/15/660708915.db2.gz CILUUFARLNXOPU-UHFFFAOYSA-N -1 0 363.779 -0.692 20 0 FBADRM NC(=O)CN(CC(N)=O)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000761287896 660708919 /nfs/dbraw/zinc/70/89/19/660708919.db2.gz PGDCALRQFBMIGI-UHFFFAOYSA-N -1 0 367.742 -0.861 20 0 FBADRM NC(=O)CN(CC(N)=O)S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000761288079 660708901 /nfs/dbraw/zinc/70/89/01/660708901.db2.gz QJDYOYQFPQJMIU-UHFFFAOYSA-N -1 0 367.742 -0.861 20 0 FBADRM CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2c[n-]c(C(=O)[O-])c2)CC1 ZINC000761288748 600738905 /nfs/dbraw/zinc/73/89/05/600738905.db2.gz GSNUZSIBPUOWKL-UHFFFAOYSA-N -1 0 372.447 -0.112 20 0 FBADRM C[S@@](=O)CCNS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000761290601 660708887 /nfs/dbraw/zinc/70/88/87/660708887.db2.gz RGSPTBXAUWJUDM-DJNLSKAYSA-N -1 0 374.440 -0.219 20 0 FBADRM C[S@@](=O)CCNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000761290612 660708891 /nfs/dbraw/zinc/70/88/91/660708891.db2.gz RGSPTBXAUWJUDM-SDWAUSNYSA-N -1 0 374.440 -0.219 20 0 FBADRM C[S@](=O)CCNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000761290615 660708880 /nfs/dbraw/zinc/70/88/80/660708880.db2.gz RGSPTBXAUWJUDM-VCGICTTQSA-N -1 0 374.440 -0.219 20 0 FBADRM C[S@](=O)CCNS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000761290617 660708906 /nfs/dbraw/zinc/70/89/06/660708906.db2.gz RGSPTBXAUWJUDM-WYVULQQZSA-N -1 0 374.440 -0.219 20 0 FBADRM NC(=O)C1(NS(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)CCCC1 ZINC000761296051 660708870 /nfs/dbraw/zinc/70/88/70/660708870.db2.gz ADCHTWPRKOPMGX-UHFFFAOYSA-N -1 0 369.399 -0.423 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000761338707 660709059 /nfs/dbraw/zinc/70/90/59/660709059.db2.gz MHPDRBXKWZTQOL-MRVPVSSYSA-N -1 0 366.392 -0.035 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000761338711 660709013 /nfs/dbraw/zinc/70/90/13/660709013.db2.gz MHPDRBXKWZTQOL-QMMMGPOBSA-N -1 0 366.392 -0.035 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000761340337 660709006 /nfs/dbraw/zinc/70/90/06/660709006.db2.gz YZZVAYLNCJVPMX-SECBINFHSA-N -1 0 366.392 -0.035 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000761340338 660709037 /nfs/dbraw/zinc/70/90/37/660709037.db2.gz YZZVAYLNCJVPMX-VIFPVBQESA-N -1 0 366.392 -0.035 20 0 FBADRM O=C([O-])c1cn(CCNS(=O)(=O)c2cccc3c2COC3=O)nn1 ZINC000761400193 660709061 /nfs/dbraw/zinc/70/90/61/660709061.db2.gz LHQILRYHDHVZLF-UHFFFAOYSA-N -1 0 352.328 -0.375 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)ccc1F ZINC000761403896 660708987 /nfs/dbraw/zinc/70/89/87/660708987.db2.gz DONSSDJNIHTOLO-UHFFFAOYSA-N -1 0 372.334 -0.120 20 0 FBADRM COC(=O)c1ccc(F)c(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC000761404340 660709021 /nfs/dbraw/zinc/70/90/21/660709021.db2.gz ZYTXUMYXANITPO-UHFFFAOYSA-N -1 0 372.334 -0.120 20 0 FBADRM O=C([O-])c1cn(CCNS(=O)(=O)c2ccc3c(c2)C(=O)OC3)nn1 ZINC000761408289 660709002 /nfs/dbraw/zinc/70/90/02/660709002.db2.gz YAIANZQJPFKKBM-UHFFFAOYSA-N -1 0 352.328 -0.375 20 0 FBADRM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)cc1F ZINC000761467993 660709160 /nfs/dbraw/zinc/70/91/60/660709160.db2.gz XPIUYGPURVIMHR-UHFFFAOYSA-N -1 0 373.337 -0.361 20 0 FBADRM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)cc1F ZINC000761473974 660709135 /nfs/dbraw/zinc/70/91/35/660709135.db2.gz PEHRUEONIBMOOU-UHFFFAOYSA-N -1 0 373.337 -0.211 20 0 FBADRM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O)cc1F ZINC000761474105 660709171 /nfs/dbraw/zinc/70/91/71/660709171.db2.gz QXQJRNKJKDYTPW-UHFFFAOYSA-N -1 0 356.372 -0.030 20 0 FBADRM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)cc1F ZINC000761475594 660709174 /nfs/dbraw/zinc/70/91/74/660709174.db2.gz QQIXRMOVRZHLOX-UHFFFAOYSA-N -1 0 359.314 -0.531 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c(C)o1 ZINC000761987214 660710673 /nfs/dbraw/zinc/71/06/73/660710673.db2.gz LTDYUUNYFHKBRE-UHFFFAOYSA-N -1 0 369.359 -0.517 20 0 FBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000761987225 605535986 /nfs/dbraw/zinc/53/59/86/605535986.db2.gz MAPBQQMMGCJEKI-JTQLQIEISA-N -1 0 359.408 -0.677 20 0 FBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000761987227 605535535 /nfs/dbraw/zinc/53/55/35/605535535.db2.gz MAPBQQMMGCJEKI-SNVBAGLBSA-N -1 0 359.408 -0.677 20 0 FBADRM CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000761987762 605542435 /nfs/dbraw/zinc/54/24/35/605542435.db2.gz OCZZVUZSWXEVBU-LBPRGKRZSA-N -1 0 350.379 -0.058 20 0 FBADRM CNS(=O)(=O)c1csc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1 ZINC000761987890 660710693 /nfs/dbraw/zinc/71/06/93/660710693.db2.gz QNQOYXGALGEFHE-UHFFFAOYSA-N -1 0 371.400 -0.357 20 0 FBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000762014285 660710667 /nfs/dbraw/zinc/71/06/67/660710667.db2.gz XAQWWQWVGNLPNU-QMMMGPOBSA-N -1 0 354.348 -0.788 20 0 FBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000762037092 660710697 /nfs/dbraw/zinc/71/06/97/660710697.db2.gz FPOBBUVGRJACSJ-QMMMGPOBSA-N -1 0 368.375 -0.574 20 0 FBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000762042138 660710644 /nfs/dbraw/zinc/71/06/44/660710644.db2.gz UWBBKOAVJKMSRX-QMMMGPOBSA-N -1 0 364.401 -0.361 20 0 FBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000762050328 660710827 /nfs/dbraw/zinc/71/08/27/660710827.db2.gz AESPXUYOCHRBFS-ZETCQYMHSA-N -1 0 363.417 -0.066 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)OC ZINC000762062325 660710745 /nfs/dbraw/zinc/71/07/45/660710745.db2.gz KZYRQYIXCRCUKF-DTWKUNHWSA-N -1 0 351.381 -0.881 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)OC ZINC000762062326 660710759 /nfs/dbraw/zinc/71/07/59/660710759.db2.gz KZYRQYIXCRCUKF-IUCAKERBSA-N -1 0 351.381 -0.881 20 0 FBADRM CC(=O)N(CCc1ccccc1)CC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000762065389 660710778 /nfs/dbraw/zinc/71/07/78/660710778.db2.gz SPDPWXNTGSHEFI-UHFFFAOYSA-N -1 0 369.443 -0.229 20 0 FBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000762065934 660710800 /nfs/dbraw/zinc/71/08/00/660710800.db2.gz BRQLPRPAAUOJOJ-QMMMGPOBSA-N -1 0 355.372 -0.478 20 0 FBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000762070193 660710763 /nfs/dbraw/zinc/71/07/63/660710763.db2.gz UBJLVWKNQQJQHU-VIFPVBQESA-N -1 0 357.388 -0.062 20 0 FBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000762070945 660710740 /nfs/dbraw/zinc/71/07/40/660710740.db2.gz WYJBQWGVQQDJPA-QMMMGPOBSA-N -1 0 364.401 -0.361 20 0 FBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000762079601 660710784 /nfs/dbraw/zinc/71/07/84/660710784.db2.gz DWEOVOAWNHPJLZ-BYPYZUCNSA-N -1 0 351.366 -0.954 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)OC)nc1 ZINC000762081514 660710824 /nfs/dbraw/zinc/71/08/24/660710824.db2.gz MZCUNLDOQFRQJE-QMMMGPOBSA-N -1 0 359.360 -0.192 20 0 FBADRM O=C(Cc1ccc(-n2cnnn2)cc1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762126840 660710760 /nfs/dbraw/zinc/71/07/60/660710760.db2.gz FEQDBFUQFCMSBO-GFCCVEGCSA-N -1 0 351.388 -0.313 20 0 FBADRM O=C(Cc1ccc(-n2cnnn2)cc1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762126882 660710857 /nfs/dbraw/zinc/71/08/57/660710857.db2.gz FEQDBFUQFCMSBO-LBPRGKRZSA-N -1 0 351.388 -0.313 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)C1=O ZINC000762127844 660710879 /nfs/dbraw/zinc/71/08/79/660710879.db2.gz HXPDYQQOLMSQFC-LKFCYVNXSA-N -1 0 359.404 -0.811 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)C1=O ZINC000762127846 660710921 /nfs/dbraw/zinc/71/09/21/660710921.db2.gz HXPDYQQOLMSQFC-OTYXRUKQSA-N -1 0 359.404 -0.811 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)C1=O ZINC000762127849 660710882 /nfs/dbraw/zinc/71/08/82/660710882.db2.gz HXPDYQQOLMSQFC-XPTSAGLGSA-N -1 0 359.404 -0.811 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)C1=O ZINC000762127852 660710903 /nfs/dbraw/zinc/71/09/03/660710903.db2.gz HXPDYQQOLMSQFC-YMTOWFKASA-N -1 0 359.404 -0.811 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)c1 ZINC000762128320 660710936 /nfs/dbraw/zinc/71/09/36/660710936.db2.gz JZYKXPXDDWJFLE-SECBINFHSA-N -1 0 365.433 -0.639 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)c1 ZINC000762128321 660710891 /nfs/dbraw/zinc/71/08/91/660710891.db2.gz JZYKXPXDDWJFLE-VIFPVBQESA-N -1 0 365.433 -0.639 20 0 FBADRM CNC(=O)c1cncc(/C=C\C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)c1 ZINC000762129723 660710901 /nfs/dbraw/zinc/71/09/01/660710901.db2.gz CGSKZMJNSBRKAL-DLGQBQFBSA-N -1 0 353.400 -0.063 20 0 FBADRM CNC(=O)c1cncc(/C=C/C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)c1 ZINC000762129729 660710895 /nfs/dbraw/zinc/71/08/95/660710895.db2.gz CGSKZMJNSBRKAL-JDGPPOGSSA-N -1 0 353.400 -0.063 20 0 FBADRM CNC(=O)c1cncc(/C=C/C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)c1 ZINC000762129735 660710920 /nfs/dbraw/zinc/71/09/20/660710920.db2.gz CGSKZMJNSBRKAL-QAVQXKDTSA-N -1 0 353.400 -0.063 20 0 FBADRM CNC(=O)c1cncc(/C=C\C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)c1 ZINC000762129741 660710937 /nfs/dbraw/zinc/71/09/37/660710937.db2.gz CGSKZMJNSBRKAL-ZZKXABKFSA-N -1 0 353.400 -0.063 20 0 FBADRM C[C@@H](Sc1nnnn1C1CC1)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762130685 660710934 /nfs/dbraw/zinc/71/09/34/660710934.db2.gz IFAXVDFWOGZKSI-BDAKNGLRSA-N -1 0 361.449 -0.029 20 0 FBADRM C[C@H](Sc1nnnn1C1CC1)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762130687 660710864 /nfs/dbraw/zinc/71/08/64/660710864.db2.gz IFAXVDFWOGZKSI-DTWKUNHWSA-N -1 0 361.449 -0.029 20 0 FBADRM C[C@H](Sc1nnnn1C1CC1)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762130688 660710938 /nfs/dbraw/zinc/71/09/38/660710938.db2.gz IFAXVDFWOGZKSI-IUCAKERBSA-N -1 0 361.449 -0.029 20 0 FBADRM C[C@@H](Sc1nnnn1C1CC1)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762130690 660710870 /nfs/dbraw/zinc/71/08/70/660710870.db2.gz IFAXVDFWOGZKSI-RKDXNWHRSA-N -1 0 361.449 -0.029 20 0 FBADRM O=C(CCn1nnc2ccccc2c1=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762131199 660710916 /nfs/dbraw/zinc/71/09/16/660710916.db2.gz JCJXHVKVCZYGEM-LLVKDONJSA-N -1 0 366.399 -0.336 20 0 FBADRM O=C(CCn1nnc2ccccc2c1=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762131201 660710877 /nfs/dbraw/zinc/71/08/77/660710877.db2.gz JCJXHVKVCZYGEM-NSHDSACASA-N -1 0 366.399 -0.336 20 0 FBADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762131504 660710862 /nfs/dbraw/zinc/71/08/62/660710862.db2.gz WYYFUKQMCUPBLQ-LLVKDONJSA-N -1 0 373.431 -0.276 20 0 FBADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762131506 660710931 /nfs/dbraw/zinc/71/09/31/660710931.db2.gz WYYFUKQMCUPBLQ-NSHDSACASA-N -1 0 373.431 -0.276 20 0 FBADRM O=C(CN1C(=O)COc2ccccc21)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762132331 660710924 /nfs/dbraw/zinc/71/09/24/660710924.db2.gz LVPWAEJMRLNVRR-LLVKDONJSA-N -1 0 354.384 -0.106 20 0 FBADRM O=C(CN1C(=O)COc2ccccc21)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762132336 660710905 /nfs/dbraw/zinc/71/09/05/660710905.db2.gz LVPWAEJMRLNVRR-NSHDSACASA-N -1 0 354.384 -0.106 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762132520 660710933 /nfs/dbraw/zinc/71/09/33/660710933.db2.gz KLRKIWJYCWISLK-IJLUTSLNSA-N -1 0 358.416 -0.356 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762132521 660710884 /nfs/dbraw/zinc/71/08/84/660710884.db2.gz KLRKIWJYCWISLK-QJPTWQEYSA-N -1 0 358.416 -0.356 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762132522 660710858 /nfs/dbraw/zinc/71/08/58/660710858.db2.gz KLRKIWJYCWISLK-SDDRHHMPSA-N -1 0 358.416 -0.356 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762132523 660710909 /nfs/dbraw/zinc/71/09/09/660710909.db2.gz KLRKIWJYCWISLK-UTUOFQBUSA-N -1 0 358.416 -0.356 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000762133584 660710848 /nfs/dbraw/zinc/71/08/48/660710848.db2.gz NGHZCJSTMIHQGM-CIUDSAMLSA-N -1 0 358.338 -0.074 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000762133593 660710885 /nfs/dbraw/zinc/71/08/85/660710885.db2.gz NGHZCJSTMIHQGM-HLTSFMKQSA-N -1 0 358.338 -0.074 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000762133599 660710887 /nfs/dbraw/zinc/71/08/87/660710887.db2.gz NGHZCJSTMIHQGM-VGMNWLOBSA-N -1 0 358.338 -0.074 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000762133602 660710928 /nfs/dbraw/zinc/71/09/28/660710928.db2.gz NGHZCJSTMIHQGM-YIZRAAEISA-N -1 0 358.338 -0.074 20 0 FBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762133833 660710893 /nfs/dbraw/zinc/71/08/93/660710893.db2.gz OCTFJCUBQJJGTE-JTQLQIEISA-N -1 0 359.404 -0.667 20 0 FBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762133843 660710871 /nfs/dbraw/zinc/71/08/71/660710871.db2.gz OCTFJCUBQJJGTE-SNVBAGLBSA-N -1 0 359.404 -0.667 20 0 FBADRM Cn1c2ccccc2n(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)c1=O ZINC000762134249 660710854 /nfs/dbraw/zinc/71/08/54/660710854.db2.gz PKMYKJHGEZJOGI-LLVKDONJSA-N -1 0 353.400 -0.178 20 0 FBADRM Cn1c2ccccc2n(CC(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)c1=O ZINC000762134258 660710939 /nfs/dbraw/zinc/71/09/39/660710939.db2.gz PKMYKJHGEZJOGI-NSHDSACASA-N -1 0 353.400 -0.178 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)o1 ZINC000762134952 660710925 /nfs/dbraw/zinc/71/09/25/660710925.db2.gz WHOKSILPDCHWAO-SECBINFHSA-N -1 0 366.417 -0.374 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)o1 ZINC000762134954 660710874 /nfs/dbraw/zinc/71/08/74/660710874.db2.gz WHOKSILPDCHWAO-VIFPVBQESA-N -1 0 366.417 -0.374 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1)N1C(=O)NC2(CCCC2)C1=O ZINC000762135901 660710851 /nfs/dbraw/zinc/71/08/51/660710851.db2.gz BNRKLAZUSOPFAX-GHMZBOCLSA-N -1 0 373.431 -0.278 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1)N1C(=O)NC2(CCCC2)C1=O ZINC000762135908 660710964 /nfs/dbraw/zinc/71/09/64/660710964.db2.gz BNRKLAZUSOPFAX-MNOVXSKESA-N -1 0 373.431 -0.278 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1)N1C(=O)NC2(CCCC2)C1=O ZINC000762135909 660711000 /nfs/dbraw/zinc/71/10/00/660711000.db2.gz BNRKLAZUSOPFAX-QWRGUYRKSA-N -1 0 373.431 -0.278 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1)N1C(=O)NC2(CCCC2)C1=O ZINC000762135910 660710998 /nfs/dbraw/zinc/71/09/98/660710998.db2.gz BNRKLAZUSOPFAX-WDEREUQCSA-N -1 0 373.431 -0.278 20 0 FBADRM O=C(Cn1c(=O)cnc2ccccc21)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762136284 660711010 /nfs/dbraw/zinc/71/10/10/660711010.db2.gz DVYQROJWQMKNAP-LLVKDONJSA-N -1 0 351.384 -0.121 20 0 FBADRM O=C(Cn1c(=O)cnc2ccccc21)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762136285 660710945 /nfs/dbraw/zinc/71/09/45/660710945.db2.gz DVYQROJWQMKNAP-NSHDSACASA-N -1 0 351.384 -0.121 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)co1 ZINC000762136690 660710993 /nfs/dbraw/zinc/71/09/93/660710993.db2.gz GUXKEGSINQEKPX-SECBINFHSA-N -1 0 366.417 -0.374 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)co1 ZINC000762136692 660711002 /nfs/dbraw/zinc/71/10/02/660711002.db2.gz GUXKEGSINQEKPX-VIFPVBQESA-N -1 0 366.417 -0.374 20 0 FBADRM O=C(Cn1nnc2ccccc2c1=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762137276 660710995 /nfs/dbraw/zinc/71/09/95/660710995.db2.gz FGBLTFRGVDRIDJ-JTQLQIEISA-N -1 0 352.372 -0.726 20 0 FBADRM O=C(Cn1nnc2ccccc2c1=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762137284 660711009 /nfs/dbraw/zinc/71/10/09/660711009.db2.gz FGBLTFRGVDRIDJ-SNVBAGLBSA-N -1 0 352.372 -0.726 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762137974 660711008 /nfs/dbraw/zinc/71/10/08/660711008.db2.gz JJGPUIWBWMTXJL-GHMZBOCLSA-N -1 0 354.450 -0.717 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762137979 660711003 /nfs/dbraw/zinc/71/10/03/660711003.db2.gz JJGPUIWBWMTXJL-MNOVXSKESA-N -1 0 354.450 -0.717 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762137983 660711011 /nfs/dbraw/zinc/71/10/11/660711011.db2.gz JJGPUIWBWMTXJL-QWRGUYRKSA-N -1 0 354.450 -0.717 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762137988 660710949 /nfs/dbraw/zinc/71/09/49/660710949.db2.gz JJGPUIWBWMTXJL-WDEREUQCSA-N -1 0 354.450 -0.717 20 0 FBADRM CC1(C)NC(=O)N(CCCC(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)C1=O ZINC000762138063 660710967 /nfs/dbraw/zinc/71/09/67/660710967.db2.gz IFPGVSKRHWMITH-JTQLQIEISA-N -1 0 361.420 -0.421 20 0 FBADRM CC1(C)NC(=O)N(CCCC(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)C1=O ZINC000762138064 660710954 /nfs/dbraw/zinc/71/09/54/660710954.db2.gz IFPGVSKRHWMITH-SNVBAGLBSA-N -1 0 361.420 -0.421 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000762139154 660711012 /nfs/dbraw/zinc/71/10/12/660711012.db2.gz OSWZCXDQBINYAC-BDAKNGLRSA-N -1 0 358.338 -0.120 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000762139155 660710996 /nfs/dbraw/zinc/71/09/96/660710996.db2.gz OSWZCXDQBINYAC-DTWKUNHWSA-N -1 0 358.338 -0.120 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000762139156 660710973 /nfs/dbraw/zinc/71/09/73/660710973.db2.gz OSWZCXDQBINYAC-IUCAKERBSA-N -1 0 358.338 -0.120 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000762139157 660710999 /nfs/dbraw/zinc/71/09/99/660710999.db2.gz OSWZCXDQBINYAC-RKDXNWHRSA-N -1 0 358.338 -0.120 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)C1=O ZINC000762140347 660710985 /nfs/dbraw/zinc/71/09/85/660710985.db2.gz NXNJVAJMEAGHEZ-JTQLQIEISA-N -1 0 361.420 -0.421 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)C1=O ZINC000762140350 660710970 /nfs/dbraw/zinc/71/09/70/660710970.db2.gz NXNJVAJMEAGHEZ-SNVBAGLBSA-N -1 0 361.420 -0.421 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000762141891 660710994 /nfs/dbraw/zinc/71/09/94/660710994.db2.gz UNKODEXWVNEFJY-NEPJUHHUSA-N -1 0 368.477 -0.469 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)C1 ZINC000762141894 660711007 /nfs/dbraw/zinc/71/10/07/660711007.db2.gz UNKODEXWVNEFJY-NWDGAFQWSA-N -1 0 368.477 -0.469 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)C1 ZINC000762141897 660711015 /nfs/dbraw/zinc/71/10/15/660711015.db2.gz UNKODEXWVNEFJY-RYUDHWBXSA-N -1 0 368.477 -0.469 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000762141908 660710988 /nfs/dbraw/zinc/71/09/88/660710988.db2.gz UNKODEXWVNEFJY-VXGBXAGGSA-N -1 0 368.477 -0.469 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)ccc1OCC(N)=O ZINC000762142812 660710956 /nfs/dbraw/zinc/71/09/56/660710956.db2.gz WEZLIVXQMXHENL-JTQLQIEISA-N -1 0 372.399 -0.345 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)ccc1OCC(N)=O ZINC000762142815 660710961 /nfs/dbraw/zinc/71/09/61/660710961.db2.gz WEZLIVXQMXHENL-SNVBAGLBSA-N -1 0 372.399 -0.345 20 0 FBADRM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762147712 660711006 /nfs/dbraw/zinc/71/10/06/660711006.db2.gz JBNKMCANSLGPFZ-JTQLQIEISA-N -1 0 367.383 -0.415 20 0 FBADRM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762147715 660711004 /nfs/dbraw/zinc/71/10/04/660711004.db2.gz JBNKMCANSLGPFZ-SNVBAGLBSA-N -1 0 367.383 -0.415 20 0 FBADRM O=C(CCN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762148549 660710979 /nfs/dbraw/zinc/71/09/79/660710979.db2.gz JEHLPNLWRPKEQF-LLVKDONJSA-N -1 0 373.431 -0.276 20 0 FBADRM O=C(CCN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762148553 660710952 /nfs/dbraw/zinc/71/09/52/660710952.db2.gz JEHLPNLWRPKEQF-NSHDSACASA-N -1 0 373.431 -0.276 20 0 FBADRM O=C(CNC(=O)Cc1cccc(F)c1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762153685 660711013 /nfs/dbraw/zinc/71/10/13/660711013.db2.gz XCBGQHYIRDOZMB-GFCCVEGCSA-N -1 0 358.391 -0.033 20 0 FBADRM O=C(CNC(=O)Cc1cccc(F)c1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000762153688 660711087 /nfs/dbraw/zinc/71/10/87/660711087.db2.gz XCBGQHYIRDOZMB-LBPRGKRZSA-N -1 0 358.391 -0.033 20 0 FBADRM CC(C)(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)nn1 ZINC000762153801 660711054 /nfs/dbraw/zinc/71/10/54/660711054.db2.gz YOMCITJVKNLNMZ-JTQLQIEISA-N -1 0 358.420 -0.011 20 0 FBADRM CC(C)(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)nn1 ZINC000762153802 660711078 /nfs/dbraw/zinc/71/10/78/660711078.db2.gz YOMCITJVKNLNMZ-SNVBAGLBSA-N -1 0 358.420 -0.011 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)c2ccccc21 ZINC000762162118 660711088 /nfs/dbraw/zinc/71/10/88/660711088.db2.gz AXLLBAVWIDEMJT-UHFFFAOYSA-N -1 0 362.371 -0.626 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1cn(C)c2ccccc12)S(C)(=O)=O ZINC000762163913 660711063 /nfs/dbraw/zinc/71/10/63/660711063.db2.gz NEXMZJXVVCRJCI-UHFFFAOYSA-N -1 0 359.429 -0.125 20 0 FBADRM COCCNS(=O)(=O)c1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000762222671 660711171 /nfs/dbraw/zinc/71/11/71/660711171.db2.gz WEXOQMSTAITCEP-UHFFFAOYSA-N -1 0 370.391 -0.243 20 0 FBADRM Cn1nccc1CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000762550505 660711685 /nfs/dbraw/zinc/71/16/85/660711685.db2.gz DCGMTMRFRMAVJW-UHFFFAOYSA-N -1 0 350.360 -0.310 20 0 FBADRM O=C([O-])c1ccc(C(=O)NCCNS(=O)(=O)c2cccnc2)cn1 ZINC000762626521 604829287 /nfs/dbraw/zinc/82/92/87/604829287.db2.gz SSSPDDLLACWICE-UHFFFAOYSA-N -1 0 350.356 -0.117 20 0 FBADRM CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000762635545 660711857 /nfs/dbraw/zinc/71/18/57/660711857.db2.gz HMZZUTFDIIDIID-UHFFFAOYSA-N -1 0 364.420 -0.178 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)OCC ZINC000762637577 660711839 /nfs/dbraw/zinc/71/18/39/660711839.db2.gz IOYVTUZITIUKLB-JTQLQIEISA-N -1 0 364.420 -0.036 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)OCC ZINC000762637578 660711830 /nfs/dbraw/zinc/71/18/30/660711830.db2.gz IOYVTUZITIUKLB-SNVBAGLBSA-N -1 0 364.420 -0.036 20 0 FBADRM CCS(=O)(=O)c1cccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c1 ZINC000762644383 660711835 /nfs/dbraw/zinc/71/18/35/660711835.db2.gz ZPRQLMVXRPBPTP-UHFFFAOYSA-N -1 0 362.429 -0.213 20 0 FBADRM CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000762645815 660711939 /nfs/dbraw/zinc/71/19/39/660711939.db2.gz OBKRSSHNDWJCDI-UHFFFAOYSA-N -1 0 364.405 -0.109 20 0 FBADRM COCCn1c(=O)cc([O-])nc1SCC(=O)N[C@H](C)C(=O)N(C)C ZINC000762655795 660711988 /nfs/dbraw/zinc/71/19/88/660711988.db2.gz ZLNDDDHHBGIBPV-SECBINFHSA-N -1 0 358.420 -0.720 20 0 FBADRM COCCn1c(=O)cc([O-])nc1SCC(=O)N[C@@H](C)C(=O)N(C)C ZINC000762655797 660711921 /nfs/dbraw/zinc/71/19/21/660711921.db2.gz ZLNDDDHHBGIBPV-VIFPVBQESA-N -1 0 358.420 -0.720 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O)cc1N(C)C ZINC000762750128 660712428 /nfs/dbraw/zinc/71/24/28/660712428.db2.gz LLTOKLWRPSITSI-UHFFFAOYSA-N -1 0 363.461 -0.243 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)cc1N(C)C ZINC000762752049 660712480 /nfs/dbraw/zinc/71/24/80/660712480.db2.gz GXDYAUZYONGQET-UHFFFAOYSA-N -1 0 366.403 -0.743 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)[nH]c2=O)cc1N(C)C ZINC000762756515 660712323 /nfs/dbraw/zinc/71/23/23/660712323.db2.gz HNYMOXYIJZIJKJ-UHFFFAOYSA-N -1 0 366.399 -0.021 20 0 FBADRM O=C(Cn1nnc2ccccc2c1=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000763006992 660715242 /nfs/dbraw/zinc/71/52/42/660715242.db2.gz IHGBDJDZJITVNJ-LLVKDONJSA-N -1 0 358.387 -0.379 20 0 FBADRM O=C(Cn1nnc2ccccc2c1=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000763006993 660715118 /nfs/dbraw/zinc/71/51/18/660715118.db2.gz IHGBDJDZJITVNJ-NSHDSACASA-N -1 0 358.387 -0.379 20 0 FBADRM COCCOc1cccc(CC(=O)[N-]S(=O)(=O)N2CCOCC2)c1 ZINC000763014940 660715220 /nfs/dbraw/zinc/71/52/20/660715220.db2.gz QDJDZBULRFGIIL-UHFFFAOYSA-N -1 0 358.416 -0.053 20 0 FBADRM COC(=O)[C@@](C)(O)CNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000763235721 660716370 /nfs/dbraw/zinc/71/63/70/660716370.db2.gz XQJBJAJRYQHWAT-HNNXBMFYSA-N -1 0 351.384 -0.124 20 0 FBADRM COC(=O)[C@](C)(O)CNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000763235724 660716247 /nfs/dbraw/zinc/71/62/47/660716247.db2.gz XQJBJAJRYQHWAT-OAHLLOKOSA-N -1 0 351.384 -0.124 20 0 FBADRM COCCn1c(=O)cc([O-])nc1SCc1nc(N)nc(N(C)C)n1 ZINC000763311082 660716942 /nfs/dbraw/zinc/71/69/42/660716942.db2.gz UZORIFRBLXALET-UHFFFAOYSA-N -1 0 353.408 -0.279 20 0 FBADRM O=C1OC[C@H]2CN(S(=O)(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)CCN12 ZINC000763374160 660717675 /nfs/dbraw/zinc/71/76/75/660717675.db2.gz IDXGVMZZQOKNEK-SSDOTTSWSA-N -1 0 367.343 -0.739 20 0 FBADRM O=C1OC[C@@H]2CN(S(=O)(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)CCN12 ZINC000763374162 660717723 /nfs/dbraw/zinc/71/77/23/660717723.db2.gz IDXGVMZZQOKNEK-ZETCQYMHSA-N -1 0 367.343 -0.739 20 0 FBADRM CC(C)(C)C(=O)Cn1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nn1 ZINC000763442795 660718241 /nfs/dbraw/zinc/71/82/41/660718241.db2.gz AVOGOPOTIHMVAW-UHFFFAOYSA-N -1 0 359.408 -0.911 20 0 FBADRM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C1 ZINC000763443085 660718299 /nfs/dbraw/zinc/71/82/99/660718299.db2.gz CWXJSFWPETYEIJ-LLVKDONJSA-N -1 0 361.464 -0.147 20 0 FBADRM CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C1 ZINC000763443088 660718286 /nfs/dbraw/zinc/71/82/86/660718286.db2.gz CWXJSFWPETYEIJ-NSHDSACASA-N -1 0 361.464 -0.147 20 0 FBADRM Cc1c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cnn1-c1ccccn1 ZINC000763444199 660718182 /nfs/dbraw/zinc/71/81/82/660718182.db2.gz GXDQBAXQKJIIQI-UHFFFAOYSA-N -1 0 351.388 -0.229 20 0 FBADRM CC(C)C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)N1CCCCC1=O ZINC000763444254 660718303 /nfs/dbraw/zinc/71/83/03/660718303.db2.gz HNPCKEUPZJFJCU-GFCCVEGCSA-N -1 0 361.464 -0.004 20 0 FBADRM CC(C)C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)N1CCCCC1=O ZINC000763444255 660718168 /nfs/dbraw/zinc/71/81/68/660718168.db2.gz HNPCKEUPZJFJCU-LBPRGKRZSA-N -1 0 361.464 -0.004 20 0 FBADRM CCn1c2ccccc2n(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1=O ZINC000763445654 660718228 /nfs/dbraw/zinc/71/82/28/660718228.db2.gz NMHQRJHOLYJEEE-UHFFFAOYSA-N -1 0 368.415 -0.595 20 0 FBADRM CCN(C)C(=O)c1cccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000763446515 660718219 /nfs/dbraw/zinc/71/82/19/660718219.db2.gz PDFIXCPRCKWUJT-UHFFFAOYSA-N -1 0 355.416 -0.026 20 0 FBADRM C=CC(=O)NCc1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000763447309 660718165 /nfs/dbraw/zinc/71/81/65/660718165.db2.gz QTWQDDQIKBYJKQ-UHFFFAOYSA-N -1 0 353.400 -0.316 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc(N2CCOC2=O)c1 ZINC000763447998 660718330 /nfs/dbraw/zinc/71/83/30/660718330.db2.gz UZIYFUUMWGUBJQ-UHFFFAOYSA-N -1 0 355.372 -0.161 20 0 FBADRM CC(C)(C)OC(=O)NC(C)(C)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000763448326 660718322 /nfs/dbraw/zinc/71/83/22/660718322.db2.gz BZVGHUXOHHEBNJ-UHFFFAOYSA-N -1 0 351.425 -0.128 20 0 FBADRM Cc1cccc(-n2cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nn2)c1 ZINC000763448845 660718327 /nfs/dbraw/zinc/71/83/27/660718327.db2.gz CBHXUZREPXXWKW-UHFFFAOYSA-N -1 0 351.388 -0.229 20 0 FBADRM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C1 ZINC000763449129 660718265 /nfs/dbraw/zinc/71/82/65/660718265.db2.gz FFMXDZBQRRLMSD-NEPJUHHUSA-N -1 0 361.464 -0.147 20 0 FBADRM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C1 ZINC000763449133 660718192 /nfs/dbraw/zinc/71/81/92/660718192.db2.gz FFMXDZBQRRLMSD-NWDGAFQWSA-N -1 0 361.464 -0.147 20 0 FBADRM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C1 ZINC000763449138 660718291 /nfs/dbraw/zinc/71/82/91/660718291.db2.gz FFMXDZBQRRLMSD-RYUDHWBXSA-N -1 0 361.464 -0.147 20 0 FBADRM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C1 ZINC000763449144 660718195 /nfs/dbraw/zinc/71/81/95/660718195.db2.gz FFMXDZBQRRLMSD-VXGBXAGGSA-N -1 0 361.464 -0.147 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCS(=O)(=O)C1CCCC1 ZINC000763449491 660718294 /nfs/dbraw/zinc/71/82/94/660718294.db2.gz FNNFQMMVHLGROW-UHFFFAOYSA-N -1 0 354.450 -0.684 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000763449646 660718262 /nfs/dbraw/zinc/71/82/62/660718262.db2.gz GRSCCSVLHOGBMA-LLVKDONJSA-N -1 0 355.372 -0.642 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000763449680 660718208 /nfs/dbraw/zinc/71/82/08/660718208.db2.gz GRSCCSVLHOGBMA-NSHDSACASA-N -1 0 355.372 -0.642 20 0 FBADRM Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000763449954 660718185 /nfs/dbraw/zinc/71/81/85/660718185.db2.gz FXPOSIFHYLJOMM-UHFFFAOYSA-N -1 0 358.420 -0.016 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000763450167 660718251 /nfs/dbraw/zinc/71/82/51/660718251.db2.gz IGSUXHCDQRBMKP-LLVKDONJSA-N -1 0 357.388 -0.555 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000763450170 660718172 /nfs/dbraw/zinc/71/81/72/660718172.db2.gz IGSUXHCDQRBMKP-NSHDSACASA-N -1 0 357.388 -0.555 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CSc1nnc2ccccn21 ZINC000763450193 660718202 /nfs/dbraw/zinc/71/82/02/660718202.db2.gz JZHMXBUPGKERSO-UHFFFAOYSA-N -1 0 357.417 -0.597 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnc(-c2ncccn2)s1 ZINC000763450263 660718248 /nfs/dbraw/zinc/71/82/48/660718248.db2.gz JBRGEDTZBVBSDT-UHFFFAOYSA-N -1 0 355.401 -0.204 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CNC(=O)c1cc2ccccc2[nH]1 ZINC000763450302 660718306 /nfs/dbraw/zinc/71/83/06/660718306.db2.gz KIVAYUZDQONWMB-UHFFFAOYSA-N -1 0 366.399 -0.520 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(N2CCOC2=O)cc1 ZINC000763450911 660718310 /nfs/dbraw/zinc/71/83/10/660718310.db2.gz LFBGAPMCPWGCPP-UHFFFAOYSA-N -1 0 355.372 -0.161 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000763451893 660718277 /nfs/dbraw/zinc/71/82/77/660718277.db2.gz NPCZEHLBZYGUCP-UHFFFAOYSA-N -1 0 364.383 -0.572 20 0 FBADRM COC(=O)c1ccc(CCC(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000763452315 660718341 /nfs/dbraw/zinc/71/83/41/660718341.db2.gz AWMJOAZMAKIHFE-UHFFFAOYSA-N -1 0 356.400 -0.012 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCOc1cccc(C(N)=O)c1 ZINC000763452352 660718178 /nfs/dbraw/zinc/71/81/78/660718178.db2.gz NVFIHQRHAYOBND-UHFFFAOYSA-N -1 0 357.388 -0.864 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)COc1ccc2ccc(=O)oc2c1 ZINC000763452401 660718595 /nfs/dbraw/zinc/71/85/95/660718595.db2.gz BVRHCNOSXBTTQJ-UHFFFAOYSA-N -1 0 368.367 -0.246 20 0 FBADRM CCC(CC)[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)N1CCOCC1 ZINC000763452430 660718641 /nfs/dbraw/zinc/71/86/41/660718641.db2.gz PAYGBGHHOIZSIA-AWEZNQCLSA-N -1 0 363.480 -0.295 20 0 FBADRM CCC(CC)[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)N1CCOCC1 ZINC000763452431 660718554 /nfs/dbraw/zinc/71/85/54/660718554.db2.gz PAYGBGHHOIZSIA-CQSZACIVSA-N -1 0 363.480 -0.295 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000763452958 660718622 /nfs/dbraw/zinc/71/86/22/660718622.db2.gz CKUOOSWXZYAXMP-UHFFFAOYSA-N -1 0 357.363 -0.094 20 0 FBADRM CC(C)(C)OC(=O)NCCCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000763452966 660718561 /nfs/dbraw/zinc/71/85/61/660718561.db2.gz COUJLNKENOUGJJ-UHFFFAOYSA-N -1 0 351.425 -0.127 20 0 FBADRM COc1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(OC)c1OC ZINC000763452980 660718590 /nfs/dbraw/zinc/71/85/90/660718590.db2.gz DDVBRGOCEXFSSC-UHFFFAOYSA-N -1 0 360.388 -0.092 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1csc(-c2cnccn2)n1 ZINC000763453146 660718581 /nfs/dbraw/zinc/71/85/81/660718581.db2.gz QTKPWQCUUTWZHE-UHFFFAOYSA-N -1 0 355.401 -0.204 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000763453147 660718547 /nfs/dbraw/zinc/71/85/47/660718547.db2.gz FPIZGZLBVGQTGV-UHFFFAOYSA-N -1 0 355.351 -0.398 20 0 FBADRM CC(C)(C)OC(=O)N1CC(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)C1 ZINC000763453286 660718516 /nfs/dbraw/zinc/71/85/16/660718516.db2.gz RQZSDZPWMGXPTP-UHFFFAOYSA-N -1 0 363.436 -0.175 20 0 FBADRM Cc1cn2c(ncc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c2=O)s1 ZINC000763454097 660718628 /nfs/dbraw/zinc/71/86/28/660718628.db2.gz HKJHUWGTEUXBGK-UHFFFAOYSA-N -1 0 358.401 -0.740 20 0 FBADRM CC(=O)N1CCc2cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)ccc21 ZINC000763454109 660718625 /nfs/dbraw/zinc/71/86/25/660718625.db2.gz HRXRIOJWQOPQSE-UHFFFAOYSA-N -1 0 353.400 -0.209 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000763454163 660718610 /nfs/dbraw/zinc/71/86/10/660718610.db2.gz BFMDUOQXPNQIGQ-BQBZGAKWSA-N -1 0 359.326 -0.974 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000763454164 660718576 /nfs/dbraw/zinc/71/85/76/660718576.db2.gz BFMDUOQXPNQIGQ-NKWVEPMBSA-N -1 0 359.326 -0.974 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000763454165 660718543 /nfs/dbraw/zinc/71/85/43/660718543.db2.gz BFMDUOQXPNQIGQ-RNFRBKRXSA-N -1 0 359.326 -0.974 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000763454166 660718569 /nfs/dbraw/zinc/71/85/69/660718569.db2.gz BFMDUOQXPNQIGQ-RQJHMYQMSA-N -1 0 359.326 -0.974 20 0 FBADRM CC(C)[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000763454167 660718615 /nfs/dbraw/zinc/71/86/15/660718615.db2.gz BIDMUDALZJJTHR-BZPMIXESSA-N -1 0 363.480 -0.298 20 0 FBADRM CC(C)[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000763454168 660718501 /nfs/dbraw/zinc/71/85/01/660718501.db2.gz BIDMUDALZJJTHR-MBNYWOFBSA-N -1 0 363.480 -0.298 20 0 FBADRM CC(C)[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000763454169 660718603 /nfs/dbraw/zinc/71/86/03/660718603.db2.gz BIDMUDALZJJTHR-SCRDCRAPSA-N -1 0 363.480 -0.298 20 0 FBADRM CC(C)[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000763454170 660718592 /nfs/dbraw/zinc/71/85/92/660718592.db2.gz BIDMUDALZJJTHR-YRGRVCCFSA-N -1 0 363.480 -0.298 20 0 FBADRM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000763454375 660718525 /nfs/dbraw/zinc/71/85/25/660718525.db2.gz VFFDPPNIQSVTGW-JTQLQIEISA-N -1 0 363.436 -0.032 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCn1cnc2sccc2c1=O ZINC000763455316 660718533 /nfs/dbraw/zinc/71/85/33/660718533.db2.gz VVDYVVYYGWPCIP-UHFFFAOYSA-N -1 0 372.428 -0.570 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCNC(=O)OCC(F)(F)F ZINC000763456593 660718549 /nfs/dbraw/zinc/71/85/49/660718549.db2.gz MBYQAVMJRCOWOH-UHFFFAOYSA-N -1 0 363.314 -0.753 20 0 FBADRM Cn1cnc(-c2ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc2)n1 ZINC000763456630 660718647 /nfs/dbraw/zinc/71/86/47/660718647.db2.gz ZWTMQVNQRKZDBC-UHFFFAOYSA-N -1 0 351.388 -0.322 20 0 FBADRM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000763456802 660718511 /nfs/dbraw/zinc/71/85/11/660718511.db2.gz HDJLUCDOHGRQRD-LLVKDONJSA-N -1 0 361.464 -0.004 20 0 FBADRM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000763456803 660718612 /nfs/dbraw/zinc/71/86/12/660718612.db2.gz HDJLUCDOHGRQRD-NSHDSACASA-N -1 0 361.464 -0.004 20 0 FBADRM Cn1cc(-c2ncc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)s2)cn1 ZINC000763457202 660718496 /nfs/dbraw/zinc/71/84/96/660718496.db2.gz JADUSTZEKSLEPM-UHFFFAOYSA-N -1 0 357.417 -0.261 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cn(Cc2cccs2)nn1 ZINC000763457501 660718650 /nfs/dbraw/zinc/71/86/50/660718650.db2.gz RRCOCAFUSJONEI-UHFFFAOYSA-N -1 0 357.417 -0.416 20 0 FBADRM Cc1ccn2c(c1)ncc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c2=O ZINC000763457508 660718601 /nfs/dbraw/zinc/71/86/01/660718601.db2.gz SEIMSXNUXZQSGC-UHFFFAOYSA-N -1 0 352.372 -0.801 20 0 FBADRM COc1cc(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)cc(OC)c1OC ZINC000763457980 660718620 /nfs/dbraw/zinc/71/86/20/660718620.db2.gz UWLUUGUOAYWCHY-UHFFFAOYSA-N -1 0 374.415 -0.163 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCn1cnc2ccccc2c1=O ZINC000763458363 660718563 /nfs/dbraw/zinc/71/85/63/660718563.db2.gz WJQVZZPELQTVRD-UHFFFAOYSA-N -1 0 366.399 -0.631 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCc1nc(-c2ccco2)no1 ZINC000763458389 660718530 /nfs/dbraw/zinc/71/85/30/660718530.db2.gz PNNSIGJMSUSRRC-UHFFFAOYSA-N -1 0 356.360 -0.156 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000763458483 660718585 /nfs/dbraw/zinc/71/85/85/660718585.db2.gz QTCGWHNXVIDZJE-CHWSQXEVSA-N -1 0 373.475 -0.003 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000763458487 660718637 /nfs/dbraw/zinc/71/86/37/660718637.db2.gz QTCGWHNXVIDZJE-OLZOCXBDSA-N -1 0 373.475 -0.003 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000763458490 660718578 /nfs/dbraw/zinc/71/85/78/660718578.db2.gz QTCGWHNXVIDZJE-QWHCGFSZSA-N -1 0 373.475 -0.003 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000763458492 660718572 /nfs/dbraw/zinc/71/85/72/660718572.db2.gz QTCGWHNXVIDZJE-STQMWFEESA-N -1 0 373.475 -0.003 20 0 FBADRM Cc1cc(-n2cncn2)ccc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000763458979 660718519 /nfs/dbraw/zinc/71/85/19/660718519.db2.gz ZQAIBLYOBYOHSJ-UHFFFAOYSA-N -1 0 351.388 -0.229 20 0 FBADRM Cc1cnn(Cc2cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)no2)c1 ZINC000763459580 660718913 /nfs/dbraw/zinc/71/89/13/660718913.db2.gz WUGXJBWKLDNZRJ-UHFFFAOYSA-N -1 0 355.376 -0.576 20 0 FBADRM Cc1cn2ccnc(C(=O)[N-]S(=O)(=O)c3cc(C(N)=O)n(C)c3)c2n1 ZINC000763925316 660721378 /nfs/dbraw/zinc/72/13/78/660721378.db2.gz SGNGPTSBCVJTCL-UHFFFAOYSA-N -1 0 362.371 -0.406 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCCO3)cc1C(N)=O ZINC000763926052 660721238 /nfs/dbraw/zinc/72/12/38/660721238.db2.gz VOLDMGMFWXVVPM-UHFFFAOYSA-N -1 0 353.360 -0.778 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC000763952744 660721256 /nfs/dbraw/zinc/72/12/56/660721256.db2.gz BWZJRCCUMHSQHK-LLVKDONJSA-N -1 0 370.431 -0.239 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CCc3n[nH]cc3C2)CC1 ZINC000763952745 660721631 /nfs/dbraw/zinc/72/16/31/660721631.db2.gz BWZJRCCUMHSQHK-NSHDSACASA-N -1 0 370.431 -0.239 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCCO3)CC1 ZINC000763955122 660721735 /nfs/dbraw/zinc/72/17/35/660721735.db2.gz WCIWSLXYKUDLFE-UHFFFAOYSA-N -1 0 372.403 -0.475 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCCO2 ZINC000763968727 660721805 /nfs/dbraw/zinc/72/18/05/660721805.db2.gz BBXHIDLAALHEKH-LLVKDONJSA-N -1 0 372.403 -0.332 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCCO2 ZINC000763968733 660721718 /nfs/dbraw/zinc/72/17/18/660721718.db2.gz BBXHIDLAALHEKH-NSHDSACASA-N -1 0 372.403 -0.332 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCCO3)s1 ZINC000763972357 660721696 /nfs/dbraw/zinc/72/16/96/660721696.db2.gz NBEOAHXKPZEUHW-UHFFFAOYSA-N -1 0 356.385 -0.055 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000763972858 660721640 /nfs/dbraw/zinc/72/16/40/660721640.db2.gz OJHZIPGVYXVJTQ-GWCFXTLKSA-N -1 0 370.431 -0.097 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000763972862 660721714 /nfs/dbraw/zinc/72/17/14/660721714.db2.gz OJHZIPGVYXVJTQ-GXFFZTMASA-N -1 0 370.431 -0.097 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000763972864 660721624 /nfs/dbraw/zinc/72/16/24/660721624.db2.gz OJHZIPGVYXVJTQ-MFKMUULPSA-N -1 0 370.431 -0.097 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000763972865 660721684 /nfs/dbraw/zinc/72/16/84/660721684.db2.gz OJHZIPGVYXVJTQ-ZWNOBZJWSA-N -1 0 370.431 -0.097 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)cn1 ZINC000763978472 660721703 /nfs/dbraw/zinc/72/17/03/660721703.db2.gz XVQITODYHNPADL-GFCCVEGCSA-N -1 0 359.371 -0.239 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)cn1 ZINC000763978473 660721604 /nfs/dbraw/zinc/72/16/04/660721604.db2.gz XVQITODYHNPADL-LBPRGKRZSA-N -1 0 359.371 -0.239 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCCO3)s1 ZINC000764046396 660722407 /nfs/dbraw/zinc/72/24/07/660722407.db2.gz XRLQNVMPRZNUSP-UHFFFAOYSA-N -1 0 372.388 -0.406 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3n[nH]cc3C2)s1 ZINC000764046696 660722385 /nfs/dbraw/zinc/72/23/85/660722385.db2.gz YWKZDKSETJDVRD-SSDOTTSWSA-N -1 0 370.416 -0.170 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)[C@H]2CCc3n[nH]cc3C2)s1 ZINC000764046697 660722448 /nfs/dbraw/zinc/72/24/48/660722448.db2.gz YWKZDKSETJDVRD-ZETCQYMHSA-N -1 0 370.416 -0.170 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCCO3)c(C)nn1C ZINC000764080169 660722593 /nfs/dbraw/zinc/72/25/93/660722593.db2.gz YZTZKCDHHVWOTE-UHFFFAOYSA-N -1 0 355.376 -0.165 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000764147195 660722618 /nfs/dbraw/zinc/72/26/18/660722618.db2.gz AQYUJWAXTGRQCN-SECBINFHSA-N -1 0 367.449 -0.630 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000764147196 660722535 /nfs/dbraw/zinc/72/25/35/660722535.db2.gz AQYUJWAXTGRQCN-VIFPVBQESA-N -1 0 367.449 -0.630 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000764147943 660722507 /nfs/dbraw/zinc/72/25/07/660722507.db2.gz FRUBHKAIEUYIQL-SECBINFHSA-N -1 0 367.424 -0.892 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000764147947 660722648 /nfs/dbraw/zinc/72/26/48/660722648.db2.gz FRUBHKAIEUYIQL-VIFPVBQESA-N -1 0 367.424 -0.892 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000764152164 660723001 /nfs/dbraw/zinc/72/30/01/660723001.db2.gz PSCHGOWSLWPOTH-JTQLQIEISA-N -1 0 361.420 -0.278 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000764152165 660722932 /nfs/dbraw/zinc/72/29/32/660722932.db2.gz PSCHGOWSLWPOTH-SNVBAGLBSA-N -1 0 361.420 -0.278 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)ccc1OCC(N)=O ZINC000764153775 660722961 /nfs/dbraw/zinc/72/29/61/660722961.db2.gz UVAIKCWBASBLPG-SECBINFHSA-N -1 0 360.388 -0.346 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)ccc1OCC(N)=O ZINC000764153776 660722989 /nfs/dbraw/zinc/72/29/89/660722989.db2.gz UVAIKCWBASBLPG-VIFPVBQESA-N -1 0 360.388 -0.346 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000764154450 660723003 /nfs/dbraw/zinc/72/30/03/660723003.db2.gz WSCDXUVUFZQSBU-JTQLQIEISA-N -1 0 353.400 -0.043 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000764154465 660722987 /nfs/dbraw/zinc/72/29/87/660722987.db2.gz WSCDXUVUFZQSBU-SNVBAGLBSA-N -1 0 353.400 -0.043 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000764154484 660722895 /nfs/dbraw/zinc/72/28/95/660722895.db2.gz FLWJKJKGPFXISM-JTQLQIEISA-N -1 0 354.388 -0.335 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000764154488 660722965 /nfs/dbraw/zinc/72/29/65/660722965.db2.gz FLWJKJKGPFXISM-SNVBAGLBSA-N -1 0 354.388 -0.335 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000764154579 660722909 /nfs/dbraw/zinc/72/29/09/660722909.db2.gz FVKACWMLMNCHPG-SECBINFHSA-N -1 0 365.433 -0.574 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000764154580 660722935 /nfs/dbraw/zinc/72/29/35/660722935.db2.gz FVKACWMLMNCHPG-VIFPVBQESA-N -1 0 365.433 -0.574 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC000764157573 660722898 /nfs/dbraw/zinc/72/28/98/660722898.db2.gz VFBXTXSCJSBUSY-MRVPVSSYSA-N -1 0 368.433 -0.067 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC000764157574 660722919 /nfs/dbraw/zinc/72/29/19/660722919.db2.gz VFBXTXSCJSBUSY-QMMMGPOBSA-N -1 0 368.433 -0.067 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000764167875 660722985 /nfs/dbraw/zinc/72/29/85/660722985.db2.gz AAPOFLABGLLNKB-JTQLQIEISA-N -1 0 369.399 -0.167 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000764167876 660722970 /nfs/dbraw/zinc/72/29/70/660722970.db2.gz AAPOFLABGLLNKB-SNVBAGLBSA-N -1 0 369.399 -0.167 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CCn1nnc2ccccc2c1=O ZINC000764175624 660722942 /nfs/dbraw/zinc/72/29/42/660722942.db2.gz YCQRKNSWXKZGCN-JTQLQIEISA-N -1 0 354.388 -0.338 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CCn1nnc2ccccc2c1=O ZINC000764175628 660722998 /nfs/dbraw/zinc/72/29/98/660722998.db2.gz YCQRKNSWXKZGCN-SNVBAGLBSA-N -1 0 354.388 -0.338 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)CC1 ZINC000764183312 660722991 /nfs/dbraw/zinc/72/29/91/660722991.db2.gz GVLIFMKWTCMGFK-JTQLQIEISA-N -1 0 356.466 -0.471 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)CC1 ZINC000764183321 660722949 /nfs/dbraw/zinc/72/29/49/660722949.db2.gz GVLIFMKWTCMGFK-SNVBAGLBSA-N -1 0 356.466 -0.471 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CCn1c2ccccc2c(=O)[nH]c1=O ZINC000764184217 660722946 /nfs/dbraw/zinc/72/29/46/660722946.db2.gz KTTUJVGNWMHFJI-JTQLQIEISA-N -1 0 369.399 -0.027 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CCn1c2ccccc2c(=O)[nH]c1=O ZINC000764184219 660722902 /nfs/dbraw/zinc/72/29/02/660722902.db2.gz KTTUJVGNWMHFJI-SNVBAGLBSA-N -1 0 369.399 -0.027 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000764185372 660722997 /nfs/dbraw/zinc/72/29/97/660722997.db2.gz MGFIGGPAIYDTDL-MRVPVSSYSA-N -1 0 354.406 -0.376 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000764185428 660722980 /nfs/dbraw/zinc/72/29/80/660722980.db2.gz MGFIGGPAIYDTDL-QMMMGPOBSA-N -1 0 354.406 -0.376 20 0 FBADRM CNC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)cc1OC ZINC000764189600 660722951 /nfs/dbraw/zinc/72/29/51/660722951.db2.gz KLSNMAOGHMDPNX-JTQLQIEISA-N -1 0 374.415 -0.086 20 0 FBADRM CNC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)cc1OC ZINC000764189610 660722905 /nfs/dbraw/zinc/72/29/05/660722905.db2.gz KLSNMAOGHMDPNX-SNVBAGLBSA-N -1 0 374.415 -0.086 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000764190149 660722999 /nfs/dbraw/zinc/72/29/99/660722999.db2.gz XHNBNOKWCXOQCA-JTQLQIEISA-N -1 0 365.433 -0.817 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000764190150 660723289 /nfs/dbraw/zinc/72/32/89/660723289.db2.gz XHNBNOKWCXOQCA-SNVBAGLBSA-N -1 0 365.433 -0.817 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)C1 ZINC000764190790 660723373 /nfs/dbraw/zinc/72/33/73/660723373.db2.gz FEVMKZYSIZDZBD-GHMZBOCLSA-N -1 0 356.466 -0.471 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)C1 ZINC000764190804 660723165 /nfs/dbraw/zinc/72/31/65/660723165.db2.gz FEVMKZYSIZDZBD-MNOVXSKESA-N -1 0 356.466 -0.471 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@H](C)OC)C1 ZINC000764190806 660723344 /nfs/dbraw/zinc/72/33/44/660723344.db2.gz FEVMKZYSIZDZBD-QWRGUYRKSA-N -1 0 356.466 -0.471 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)C[C@H](C)OC)C1 ZINC000764190808 660723242 /nfs/dbraw/zinc/72/32/42/660723242.db2.gz FEVMKZYSIZDZBD-WDEREUQCSA-N -1 0 356.466 -0.471 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CN1CCN(c2ccccn2)CC1 ZINC000764191299 660723224 /nfs/dbraw/zinc/72/32/24/660723224.db2.gz RXRIRADDPJJNOW-CYBMUJFWSA-N -1 0 356.448 -0.316 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CN1CCN(c2ccccn2)CC1 ZINC000764191304 660723181 /nfs/dbraw/zinc/72/31/81/660723181.db2.gz RXRIRADDPJJNOW-ZDUSSCGKSA-N -1 0 356.448 -0.316 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000764191985 660723285 /nfs/dbraw/zinc/72/32/85/660723285.db2.gz HJNHBPZQCNPUHJ-SSDOTTSWSA-N -1 0 356.360 -0.871 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000764191994 660723228 /nfs/dbraw/zinc/72/32/28/660723228.db2.gz HJNHBPZQCNPUHJ-ZETCQYMHSA-N -1 0 356.360 -0.871 20 0 FBADRM COc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)cc1-n1cnnn1 ZINC000764194259 660723328 /nfs/dbraw/zinc/72/33/28/660723328.db2.gz NOGAFWFUYJKGIE-SECBINFHSA-N -1 0 355.376 -0.235 20 0 FBADRM COc1ccc(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)cc1-n1cnnn1 ZINC000764194262 660723261 /nfs/dbraw/zinc/72/32/61/660723261.db2.gz NOGAFWFUYJKGIE-VIFPVBQESA-N -1 0 355.376 -0.235 20 0 FBADRM COc1cc(OC)cc(C(=O)NCC(=O)[N-]S(=O)(=O)C[C@H](C)OC)c1 ZINC000764195395 660723294 /nfs/dbraw/zinc/72/32/94/660723294.db2.gz RQLUSDKPXYTYEM-JTQLQIEISA-N -1 0 374.415 -0.086 20 0 FBADRM COc1cc(OC)cc(C(=O)NCC(=O)[N-]S(=O)(=O)C[C@@H](C)OC)c1 ZINC000764195398 660723251 /nfs/dbraw/zinc/72/32/51/660723251.db2.gz RQLUSDKPXYTYEM-SNVBAGLBSA-N -1 0 374.415 -0.086 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000764195428 660723325 /nfs/dbraw/zinc/72/33/25/660723325.db2.gz RXAIEBRDQNELRQ-GWCFXTLKSA-N -1 0 368.415 -0.413 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000764195430 660723220 /nfs/dbraw/zinc/72/32/20/660723220.db2.gz RXAIEBRDQNELRQ-GXFFZTMASA-N -1 0 368.415 -0.413 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000764195432 660723239 /nfs/dbraw/zinc/72/32/39/660723239.db2.gz RXAIEBRDQNELRQ-MFKMUULPSA-N -1 0 368.415 -0.413 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000764195433 660723170 /nfs/dbraw/zinc/72/31/70/660723170.db2.gz RXAIEBRDQNELRQ-ZWNOBZJWSA-N -1 0 368.415 -0.413 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)COCCNC(=O)c1ccccc1 ZINC000764196327 660723246 /nfs/dbraw/zinc/72/32/46/660723246.db2.gz WDSGEDRJILDQLH-GFCCVEGCSA-N -1 0 358.416 -0.086 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)COCCNC(=O)c1ccccc1 ZINC000764196329 660723362 /nfs/dbraw/zinc/72/33/62/660723362.db2.gz WDSGEDRJILDQLH-LBPRGKRZSA-N -1 0 358.416 -0.086 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000764198307 660723282 /nfs/dbraw/zinc/72/32/82/660723282.db2.gz UTBRYLSCJPNKJN-NEPJUHHUSA-N -1 0 355.416 -0.089 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000764198309 660723341 /nfs/dbraw/zinc/72/33/41/660723341.db2.gz UTBRYLSCJPNKJN-NWDGAFQWSA-N -1 0 355.416 -0.089 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000764198311 660723189 /nfs/dbraw/zinc/72/31/89/660723189.db2.gz UTBRYLSCJPNKJN-RYUDHWBXSA-N -1 0 355.416 -0.089 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000764198313 660723316 /nfs/dbraw/zinc/72/33/16/660723316.db2.gz UTBRYLSCJPNKJN-VXGBXAGGSA-N -1 0 355.416 -0.089 20 0 FBADRM COc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)C[C@H](C)OC)cc1OC ZINC000764200239 660723212 /nfs/dbraw/zinc/72/32/12/660723212.db2.gz YDGRQEOGMXYTSL-JTQLQIEISA-N -1 0 374.415 -0.086 20 0 FBADRM COc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)C[C@@H](C)OC)cc1OC ZINC000764200241 660723299 /nfs/dbraw/zinc/72/32/99/660723299.db2.gz YDGRQEOGMXYTSL-SNVBAGLBSA-N -1 0 374.415 -0.086 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000764205232 660723321 /nfs/dbraw/zinc/72/33/21/660723321.db2.gz AIKLSFXZHRDTGP-NXEZZACHSA-N -1 0 361.420 -0.280 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000764205233 660723148 /nfs/dbraw/zinc/72/31/48/660723148.db2.gz AIKLSFXZHRDTGP-UWVGGRQHSA-N -1 0 361.420 -0.280 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000764205234 660723185 /nfs/dbraw/zinc/72/31/85/660723185.db2.gz AIKLSFXZHRDTGP-VHSXEESVSA-N -1 0 361.420 -0.280 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000764205235 660723507 /nfs/dbraw/zinc/72/35/07/660723507.db2.gz AIKLSFXZHRDTGP-ZJUUUORDSA-N -1 0 361.420 -0.280 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC000764206628 660723565 /nfs/dbraw/zinc/72/35/65/660723565.db2.gz FRNBNINEDWLTHD-MRVPVSSYSA-N -1 0 368.433 -0.067 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC000764206631 660723560 /nfs/dbraw/zinc/72/35/60/660723560.db2.gz FRNBNINEDWLTHD-QMMMGPOBSA-N -1 0 368.433 -0.067 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000764207831 660723544 /nfs/dbraw/zinc/72/35/44/660723544.db2.gz NJZJZGLIYBDHES-MRVPVSSYSA-N -1 0 354.406 -0.376 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000764207833 660723563 /nfs/dbraw/zinc/72/35/63/660723563.db2.gz NJZJZGLIYBDHES-QMMMGPOBSA-N -1 0 354.406 -0.376 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000764210885 660723591 /nfs/dbraw/zinc/72/35/91/660723591.db2.gz QSOOLHFBRXALFF-HZSPNIEDSA-N -1 0 374.459 -0.092 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000764210889 660723542 /nfs/dbraw/zinc/72/35/42/660723542.db2.gz QSOOLHFBRXALFF-MCIONIFRSA-N -1 0 374.459 -0.092 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000764210893 660723515 /nfs/dbraw/zinc/72/35/15/660723515.db2.gz QSOOLHFBRXALFF-MGPQQGTHSA-N -1 0 374.459 -0.092 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000764210899 660723518 /nfs/dbraw/zinc/72/35/18/660723518.db2.gz QSOOLHFBRXALFF-RDBSUJKOSA-N -1 0 374.459 -0.092 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000764214717 660723603 /nfs/dbraw/zinc/72/36/03/660723603.db2.gz FDILOTOJGRDKQL-SECBINFHSA-N -1 0 355.372 -0.417 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000764214720 660723522 /nfs/dbraw/zinc/72/35/22/660723522.db2.gz FDILOTOJGRDKQL-VIFPVBQESA-N -1 0 355.372 -0.417 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000764216121 660723511 /nfs/dbraw/zinc/72/35/11/660723511.db2.gz ISRILDYEVGNOLA-LLVKDONJSA-N -1 0 364.445 -0.212 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000764216122 660723547 /nfs/dbraw/zinc/72/35/47/660723547.db2.gz ISRILDYEVGNOLA-NSHDSACASA-N -1 0 364.445 -0.212 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000764216279 660723504 /nfs/dbraw/zinc/72/35/04/660723504.db2.gz NBMNAUDICIFIHU-JTQLQIEISA-N -1 0 361.420 -0.278 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000764216280 660723557 /nfs/dbraw/zinc/72/35/57/660723557.db2.gz NBMNAUDICIFIHU-SNVBAGLBSA-N -1 0 361.420 -0.278 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000764216696 660723531 /nfs/dbraw/zinc/72/35/31/660723531.db2.gz KJKHACSQUGNMMV-SECBINFHSA-N -1 0 358.372 -0.374 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000764216697 660723593 /nfs/dbraw/zinc/72/35/93/660723593.db2.gz KJKHACSQUGNMMV-VIFPVBQESA-N -1 0 358.372 -0.374 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000764220169 660723576 /nfs/dbraw/zinc/72/35/76/660723576.db2.gz YKBYFCOMRYRPBI-MRVPVSSYSA-N -1 0 353.422 -0.641 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000764220171 660723500 /nfs/dbraw/zinc/72/35/00/660723500.db2.gz YKBYFCOMRYRPBI-QMMMGPOBSA-N -1 0 353.422 -0.641 20 0 FBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)c2cnc3ccc(F)cc3c2)c1=O ZINC000764245609 660723816 /nfs/dbraw/zinc/72/38/16/660723816.db2.gz DUVLJWRZAOGZKZ-UHFFFAOYSA-N -1 0 365.346 -0.226 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)CCC(C)(C)OC ZINC000764280190 660724240 /nfs/dbraw/zinc/72/42/40/660724240.db2.gz XBTZAEOJCOGQOM-UHFFFAOYSA-N -1 0 358.482 -0.081 20 0 FBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000764285910 660724226 /nfs/dbraw/zinc/72/42/26/660724226.db2.gz FFINAKWRIXWWLG-UHFFFAOYSA-N -1 0 361.424 -0.759 20 0 FBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000764288887 660724313 /nfs/dbraw/zinc/72/43/13/660724313.db2.gz KOLPKSIOUUIJIR-UHFFFAOYSA-N -1 0 371.419 -0.609 20 0 FBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000764289218 660724286 /nfs/dbraw/zinc/72/42/86/660724286.db2.gz XXFYMNTYVXIOFX-JTQLQIEISA-N -1 0 356.466 -0.329 20 0 FBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000764289221 660724337 /nfs/dbraw/zinc/72/43/37/660724337.db2.gz XXFYMNTYVXIOFX-SNVBAGLBSA-N -1 0 356.466 -0.329 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)CCC(C)(C)OC)CC1=O ZINC000764289728 660724295 /nfs/dbraw/zinc/72/42/95/660724295.db2.gz YJHMYQQNFKSMTF-LLVKDONJSA-N -1 0 350.437 -0.258 20 0 FBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)CCC(C)(C)OC)CC1=O ZINC000764289730 660724320 /nfs/dbraw/zinc/72/43/20/660724320.db2.gz YJHMYQQNFKSMTF-NSHDSACASA-N -1 0 350.437 -0.258 20 0 FBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)CCN1CCCS1(=O)=O ZINC000764291958 660724236 /nfs/dbraw/zinc/72/42/36/660724236.db2.gz ZLQPXINXYQVQRE-UHFFFAOYSA-N -1 0 356.466 -0.327 20 0 FBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000764294854 660724678 /nfs/dbraw/zinc/72/46/78/660724678.db2.gz VHIKRQQQVDMHOM-UHFFFAOYSA-N -1 0 370.493 -0.081 20 0 FBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)CCC(=O)N1CCOCC1 ZINC000764321745 660724596 /nfs/dbraw/zinc/72/45/96/660724596.db2.gz NCRAQVOMDLXBCY-UHFFFAOYSA-N -1 0 350.437 -0.114 20 0 FBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000764337305 660724619 /nfs/dbraw/zinc/72/46/19/660724619.db2.gz ZGBWVVPCIRHNPC-SREVYHEPSA-N -1 0 373.431 -0.642 20 0 FBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000764337307 660724656 /nfs/dbraw/zinc/72/46/56/660724656.db2.gz ZGBWVVPCIRHNPC-VOTSOKGWSA-N -1 0 373.431 -0.642 20 0 FBADRM CCOC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CNC(C)=O)cc1 ZINC000764753964 660726490 /nfs/dbraw/zinc/72/64/90/660726490.db2.gz KYSOXVUPNLEWSZ-UHFFFAOYSA-N -1 0 357.388 -0.126 20 0 FBADRM COc1cc(OC)cc(C(=O)NCC(=O)[N-]S(=O)(=O)N2CCCC2)c1 ZINC000764758459 660726591 /nfs/dbraw/zinc/72/65/91/660726591.db2.gz GFEGFLVFGIXBOZ-UHFFFAOYSA-N -1 0 371.415 -0.110 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CNC(=O)c2ccc3c(c2)OCO3)cn1 ZINC000764759305 660726488 /nfs/dbraw/zinc/72/64/88/660726488.db2.gz QNQRSXTYWKSEHP-UHFFFAOYSA-N -1 0 366.355 -0.616 20 0 FBADRM COc1cc2c(cc1OC)CN(S(=O)(=O)[N-]C(=O)CNC(C)=O)CC2 ZINC000764762349 660726509 /nfs/dbraw/zinc/72/65/09/660726509.db2.gz HNSGZEZYCRSVMV-UHFFFAOYSA-N -1 0 371.415 -0.441 20 0 FBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZINC000764762665 660726616 /nfs/dbraw/zinc/72/66/16/660726616.db2.gz NHNIQUDGIIZCGN-UHFFFAOYSA-N -1 0 354.432 -0.699 20 0 FBADRM O=C(CNC(=O)c1ccc2c(c1)OCO2)[N-]S(=O)(=O)N1CCCC1 ZINC000764763576 660726647 /nfs/dbraw/zinc/72/66/47/660726647.db2.gz VGDAIFBCHHBNKH-UHFFFAOYSA-N -1 0 355.372 -0.398 20 0 FBADRM O=C(CNC(=O)c1ccc2c(c1)OCO2)[N-]S(=O)(=O)N1CCCCC1 ZINC000764764438 660726495 /nfs/dbraw/zinc/72/64/95/660726495.db2.gz XRFPVFZFFAQSBI-UHFFFAOYSA-N -1 0 369.399 -0.008 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)CNC(=O)c1cc(OC)cc(OC)c1 ZINC000764765758 660726485 /nfs/dbraw/zinc/72/64/85/660726485.db2.gz HFGBYIDLTYLUBS-UHFFFAOYSA-N -1 0 374.415 -0.084 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000764766754 660726610 /nfs/dbraw/zinc/72/66/10/660726610.db2.gz JLCVPVCOULPRCI-UHFFFAOYSA-N -1 0 358.372 -0.372 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000764768014 660727091 /nfs/dbraw/zinc/72/70/91/660727091.db2.gz YKMGNJAIYLIULN-UHFFFAOYSA-N -1 0 357.388 -0.154 20 0 FBADRM COc1cc(OC)cc(C(=O)NCC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c1 ZINC000764768630 660727065 /nfs/dbraw/zinc/72/70/65/660727065.db2.gz AQTXRZLJFLCYPX-CYBMUJFWSA-N -1 0 372.399 -0.332 20 0 FBADRM COc1cc(OC)cc(C(=O)NCC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1 ZINC000764768632 660727044 /nfs/dbraw/zinc/72/70/44/660727044.db2.gz AQTXRZLJFLCYPX-ZDUSSCGKSA-N -1 0 372.399 -0.332 20 0 FBADRM O=C(CNC(=O)c1ccc2c(c1)OCO2)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000764768785 660727079 /nfs/dbraw/zinc/72/70/79/660727079.db2.gz COVGKAKLQSLSIO-JTQLQIEISA-N -1 0 356.356 -0.620 20 0 FBADRM O=C(CNC(=O)c1ccc2c(c1)OCO2)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000764768789 660726967 /nfs/dbraw/zinc/72/69/67/660726967.db2.gz COVGKAKLQSLSIO-SNVBAGLBSA-N -1 0 356.356 -0.620 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000764769717 660726976 /nfs/dbraw/zinc/72/69/76/660726976.db2.gz FEOGGIIEMSICFV-SECBINFHSA-N -1 0 358.372 -0.374 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000764769721 660726980 /nfs/dbraw/zinc/72/69/80/660726980.db2.gz FEOGGIIEMSICFV-VIFPVBQESA-N -1 0 358.372 -0.374 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(F)cc1 ZINC000764769726 660727041 /nfs/dbraw/zinc/72/70/41/660727041.db2.gz FFCDUXOXEQUBCC-UHFFFAOYSA-N -1 0 360.363 -0.045 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)CNC(=O)c1cc(OC)cc(OC)c1 ZINC000764769996 660727019 /nfs/dbraw/zinc/72/70/19/660727019.db2.gz VIFMNJMLVVJATJ-UHFFFAOYSA-N -1 0 360.388 -0.474 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)c1cc(OC)cc(OC)c1 ZINC000764774217 660726969 /nfs/dbraw/zinc/72/69/69/660726969.db2.gz UPMUPAOOGQYBFK-JTQLQIEISA-N -1 0 374.415 -0.086 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)c1cc(OC)cc(OC)c1 ZINC000764774220 660727098 /nfs/dbraw/zinc/72/70/98/660727098.db2.gz UPMUPAOOGQYBFK-SNVBAGLBSA-N -1 0 374.415 -0.086 20 0 FBADRM COc1ccccc1-n1cc(S(=O)(=O)[N-]C(=O)CNC(C)=O)cn1 ZINC000764777331 660726968 /nfs/dbraw/zinc/72/69/68/660726968.db2.gz HCNLDKVJRAAHLU-UHFFFAOYSA-N -1 0 352.372 -0.178 20 0 FBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)CCS(=O)(=O)c1ccc(F)cc1 ZINC000764778570 660726988 /nfs/dbraw/zinc/72/69/88/660726988.db2.gz NUQMPHKPKAVNNU-UHFFFAOYSA-N -1 0 366.392 -0.819 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)CNC(=O)c1cc(OC)cc(OC)c1 ZINC000764780382 660727082 /nfs/dbraw/zinc/72/70/82/660727082.db2.gz TXEBJCMDURBEBV-UHFFFAOYSA-N -1 0 359.404 -0.254 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000764782995 660727101 /nfs/dbraw/zinc/72/71/01/660727101.db2.gz DHIXIPKDTMDLLN-UHFFFAOYSA-N -1 0 357.388 -0.152 20 0 FBADRM O=C(CNC(=O)c1ccc2c(c1)OCO2)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000764783488 660726974 /nfs/dbraw/zinc/72/69/74/660726974.db2.gz UPRXTTOCTHLJDT-JTQLQIEISA-N -1 0 370.383 -0.372 20 0 FBADRM O=C(CNC(=O)c1ccc2c(c1)OCO2)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000764783490 660727069 /nfs/dbraw/zinc/72/70/69/660727069.db2.gz UPRXTTOCTHLJDT-SNVBAGLBSA-N -1 0 370.383 -0.372 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(F)cc1 ZINC000764783932 660727014 /nfs/dbraw/zinc/72/70/14/660727014.db2.gz MQWGRYITEFVBGM-UHFFFAOYSA-N -1 0 362.379 -0.336 20 0 FBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 ZINC000764784331 660727011 /nfs/dbraw/zinc/72/70/11/660727011.db2.gz PYCPFKZAQJOACT-UHFFFAOYSA-N -1 0 369.399 -0.411 20 0 FBADRM O=C(CNC(=O)c1ccc2c(c1)OCO2)[N-]S(=O)(=O)Cc1ccon1 ZINC000764785715 660726999 /nfs/dbraw/zinc/72/69/99/660726999.db2.gz VXPMEYITAMODJC-UHFFFAOYSA-N -1 0 367.339 -0.221 20 0 FBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000764786821 660726973 /nfs/dbraw/zinc/72/69/73/660726973.db2.gz ALQMBSLWYUEVSM-UHFFFAOYSA-N -1 0 367.383 -0.745 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000764787994 660726972 /nfs/dbraw/zinc/72/69/72/660726972.db2.gz ZDBNTGHNCUFHKW-UHFFFAOYSA-N -1 0 373.387 -0.916 20 0 FBADRM O=C(CNC(=O)c1ccc2c(c1)OCO2)[N-]S(=O)(=O)c1cnccn1 ZINC000764790114 660727003 /nfs/dbraw/zinc/72/70/03/660727003.db2.gz OCQBNKHGUICMTC-UHFFFAOYSA-N -1 0 364.339 -0.560 20 0 FBADRM O=C(CNC(=O)c1ccc2c(c1)OCO2)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000764794145 660726965 /nfs/dbraw/zinc/72/69/65/660726965.db2.gz CMHPZSHHZLITCQ-LLVKDONJSA-N -1 0 370.383 -0.230 20 0 FBADRM O=C(CNC(=O)c1ccc2c(c1)OCO2)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000764794246 660726964 /nfs/dbraw/zinc/72/69/64/660726964.db2.gz CMHPZSHHZLITCQ-NSHDSACASA-N -1 0 370.383 -0.230 20 0 FBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000764794686 660726971 /nfs/dbraw/zinc/72/69/71/660726971.db2.gz ITRCLDOFAUYIQI-UHFFFAOYSA-N -1 0 355.294 -0.036 20 0 FBADRM O=C(CNC(=O)c1ccc2c(c1)OCO2)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000764797985 660727072 /nfs/dbraw/zinc/72/70/72/660727072.db2.gz YITOVJDAPHHXER-LLVKDONJSA-N -1 0 370.383 -0.230 20 0 FBADRM O=C(CNC(=O)c1ccc2c(c1)OCO2)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000764797986 660727087 /nfs/dbraw/zinc/72/70/87/660727087.db2.gz YITOVJDAPHHXER-NSHDSACASA-N -1 0 370.383 -0.230 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC(NC(=O)c3cc(=O)[nH][n-]3)C2)cc1 ZINC000765258298 660729676 /nfs/dbraw/zinc/72/96/76/660729676.db2.gz DDGHCUQZKWAOCL-UHFFFAOYSA-N -1 0 352.372 -0.940 20 0 FBADRM O=C(CO)N1CCN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000765264515 660729915 /nfs/dbraw/zinc/72/99/15/660729915.db2.gz VXPDVEWQLMTFGB-UHFFFAOYSA-N -1 0 362.411 -0.652 20 0 FBADRM CCn1c(=O)c2ccc(C(=O)NC[C@H](O)C(=O)OC)cc2[n-]c1=S ZINC000765392330 660730195 /nfs/dbraw/zinc/73/01/95/660730195.db2.gz CAXKPANJBIAWRE-NSHDSACASA-N -1 0 351.384 -0.031 20 0 FBADRM COC(=O)[C@@H](O)CNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000765394155 660730258 /nfs/dbraw/zinc/73/02/58/660730258.db2.gz KATAOVBJKSBVGP-NSHDSACASA-N -1 0 351.384 -0.275 20 0 FBADRM CCCCS(=O)(=O)N1CCC(C(=O)OCc2nc(=O)n(C)[nH]2)CC1 ZINC000765451270 660731259 /nfs/dbraw/zinc/73/12/59/660731259.db2.gz ZHAZEIZAXHPNEE-UHFFFAOYSA-N -1 0 360.436 -0.007 20 0 FBADRM CCN=c1nc(NCC)nc2[n-]nc(SCC(=O)N3CC(C)(O)C3)n21 ZINC000765453928 660731317 /nfs/dbraw/zinc/73/13/17/660731317.db2.gz RMVXJSWNDKIZMO-UHFFFAOYSA-N -1 0 366.451 -0.510 20 0 FBADRM Cn1[nH]c(COC(=O)c2nc(S(C)(=O)=O)n3ccccc23)nc1=O ZINC000765456736 660731152 /nfs/dbraw/zinc/73/11/52/660731152.db2.gz AASIGAAUERKWLU-UHFFFAOYSA-N -1 0 351.344 -0.483 20 0 FBADRM CNC(=O)COc1ccc(C(=O)OCc2nc(=O)n(C)[nH]2)cc1OC ZINC000765456761 660731307 /nfs/dbraw/zinc/73/13/07/660731307.db2.gz ANDRAUNYJHQCGI-UHFFFAOYSA-N -1 0 350.331 -0.401 20 0 FBADRM CCN1C(=O)c2ccc(C(=O)OCc3nc(=O)n(C)[nH]3)cc2S1(=O)=O ZINC000765459517 660731250 /nfs/dbraw/zinc/73/12/50/660731250.db2.gz LTYSBHDAUYBYBS-UHFFFAOYSA-N -1 0 366.355 -0.370 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)OCc2nc(=O)n(C)[nH]2)ccc1F ZINC000765459772 660731166 /nfs/dbraw/zinc/73/11/66/660731166.db2.gz FRLLVGLKDNNBMA-UHFFFAOYSA-N -1 0 358.351 -0.145 20 0 FBADRM Cn1[nH]c(COC(=O)CNS(=O)(=O)c2ccc(Cl)s2)nc1=O ZINC000765462038 660731098 /nfs/dbraw/zinc/73/10/98/660731098.db2.gz MSIZQWPNKSAKHA-UHFFFAOYSA-N -1 0 366.808 -0.155 20 0 FBADRM CCNS(=O)(=O)c1ccc(F)c(C(=O)OCc2nc(=O)n(C)[nH]2)c1 ZINC000765463595 660731190 /nfs/dbraw/zinc/73/11/90/660731190.db2.gz SLVMSANKQFTUAN-UHFFFAOYSA-N -1 0 358.351 -0.097 20 0 FBADRM COCCS(=O)(=O)c1ccc(C(=O)OCc2nc(=O)n(C)[nH]2)cc1 ZINC000765464417 660731285 /nfs/dbraw/zinc/73/12/85/660731285.db2.gz YIMFJHDYBKIOBL-UHFFFAOYSA-N -1 0 355.372 -0.115 20 0 FBADRM Cn1[nH]c(COC(=O)CCOc2ccc(S(N)(=O)=O)cc2)nc1=O ZINC000765465332 660731088 /nfs/dbraw/zinc/73/10/88/660731088.db2.gz QKCLAOBSTCNGCF-UHFFFAOYSA-N -1 0 356.360 -0.732 20 0 FBADRM C[C@@H](O)CNC(=O)NCCN=c1ncnc2n(C)[n-]c(Br)c1-2 ZINC000765481067 660731600 /nfs/dbraw/zinc/73/16/00/660731600.db2.gz JVIQTGIWRBSDHK-SSDOTTSWSA-N -1 0 372.227 -0.409 20 0 FBADRM C[C@H](O)CNC(=O)NCCN=c1ncnc2n(C)[n-]c(Br)c1-2 ZINC000765481100 660731657 /nfs/dbraw/zinc/73/16/57/660731657.db2.gz JVIQTGIWRBSDHK-ZETCQYMHSA-N -1 0 372.227 -0.409 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)cc1OC ZINC000765583236 660731967 /nfs/dbraw/zinc/73/19/67/660731967.db2.gz JJIBZWQGRFXTCM-UHFFFAOYSA-N -1 0 356.360 -0.896 20 0 FBADRM COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)c1 ZINC000765583275 660732037 /nfs/dbraw/zinc/73/20/37/660732037.db2.gz KCPPAYLHKPGOTG-UHFFFAOYSA-N -1 0 356.360 -0.896 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)cc1 ZINC000765583409 660732092 /nfs/dbraw/zinc/73/20/92/660732092.db2.gz KVJFVTPWHRALSA-UHFFFAOYSA-N -1 0 353.360 -0.955 20 0 FBADRM COCc1cncc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 ZINC000765584130 660732049 /nfs/dbraw/zinc/73/20/49/660732049.db2.gz MUSHKQSOBPCBNZ-UHFFFAOYSA-N -1 0 352.372 -0.216 20 0 FBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1=O ZINC000765584137 660732087 /nfs/dbraw/zinc/73/20/87/660732087.db2.gz MXMJHOVWSQENKO-UHFFFAOYSA-N -1 0 368.371 -0.752 20 0 FBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)Cc2noc3ccccc32)c1=O ZINC000765588117 660732062 /nfs/dbraw/zinc/73/20/62/660732062.db2.gz PMRKQFPNWGQDPB-UHFFFAOYSA-N -1 0 351.344 -0.631 20 0 FBADRM COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)cc1 ZINC000765590941 660732507 /nfs/dbraw/zinc/73/25/07/660732507.db2.gz YXVLNPAHMBNWAX-UHFFFAOYSA-N -1 0 368.371 -0.985 20 0 FBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)N2CCCc3ccccc32)c1=O ZINC000765599765 660732318 /nfs/dbraw/zinc/73/23/18/660732318.db2.gz FEGJHRVDKJYWIK-UHFFFAOYSA-N -1 0 351.388 -0.604 20 0 FBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1=O ZINC000765600984 660732374 /nfs/dbraw/zinc/73/23/74/660732374.db2.gz GIFGLJBPRSCZSW-UHFFFAOYSA-N -1 0 365.346 -0.226 20 0 FBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)c2c(Cl)nc3ccccn32)c1=O ZINC000765602418 660732344 /nfs/dbraw/zinc/73/23/44/660732344.db2.gz MQLBACNEJWDIDV-UHFFFAOYSA-N -1 0 370.778 -0.612 20 0 FBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)N2CCc3sccc3C2)c1=O ZINC000765602463 660732490 /nfs/dbraw/zinc/73/24/90/660732490.db2.gz MZTNZPHGHAHXLD-UHFFFAOYSA-N -1 0 357.417 -0.937 20 0 FBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)N2CCc3ccccc3C2)c1=O ZINC000765603721 660732527 /nfs/dbraw/zinc/73/25/27/660732527.db2.gz PQYLHRLINJSZHN-UHFFFAOYSA-N -1 0 351.388 -0.999 20 0 FBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c1=O ZINC000765605332 660732423 /nfs/dbraw/zinc/73/24/23/660732423.db2.gz WLUIAEVMZIFVLH-UHFFFAOYSA-N -1 0 362.371 -0.727 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)cc1N(C)C ZINC000765607836 660732313 /nfs/dbraw/zinc/73/23/13/660732313.db2.gz BBXQTOFYQWCGRZ-UHFFFAOYSA-N -1 0 353.404 -0.539 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)c(C)c1C ZINC000765608920 660732365 /nfs/dbraw/zinc/73/23/65/660732365.db2.gz PAZXMURAWZZPGN-UHFFFAOYSA-N -1 0 354.388 -0.288 20 0 FBADRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)c1 ZINC000765610256 660732389 /nfs/dbraw/zinc/73/23/89/660732389.db2.gz NZCQYCOXVPLSQL-UHFFFAOYSA-N -1 0 372.790 -0.057 20 0 FBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c1=O ZINC000765610580 660732510 /nfs/dbraw/zinc/73/25/10/660732510.db2.gz UKEDECITBPFDDM-UHFFFAOYSA-N -1 0 365.293 -0.499 20 0 FBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)CCSc2ccccc2)c1=O ZINC000765610917 660732350 /nfs/dbraw/zinc/73/23/50/660732350.db2.gz MDBFHXUAYQIRAD-UHFFFAOYSA-N -1 0 356.429 -0.180 20 0 FBADRM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)cc1 ZINC000765612555 660732480 /nfs/dbraw/zinc/73/24/80/660732480.db2.gz IJCWKJQHBCBZAY-UHFFFAOYSA-N -1 0 354.388 -0.126 20 0 FBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)N(C)CCC3)c1=O ZINC000765612684 660732524 /nfs/dbraw/zinc/73/25/24/660732524.db2.gz OHOCLJIQHPIDLW-UHFFFAOYSA-N -1 0 365.415 -0.531 20 0 FBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1=O ZINC000765613671 660732333 /nfs/dbraw/zinc/73/23/33/660732333.db2.gz NSTHTFPGCQNIFZ-UHFFFAOYSA-N -1 0 352.372 -0.588 20 0 FBADRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]C(=O)Cn1ncn(C)c1=O ZINC000765637489 660732710 /nfs/dbraw/zinc/73/27/10/660732710.db2.gz DFAZWYCBCZIMQZ-UHFFFAOYSA-N -1 0 361.383 -0.056 20 0 FBADRM CCCOc1ccc(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)cc1 ZINC000765638934 660732801 /nfs/dbraw/zinc/73/28/01/660732801.db2.gz NOFBFNYSUQEIDZ-UHFFFAOYSA-N -1 0 354.388 -0.124 20 0 FBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)c2cc(Cl)cc3c2OCC3)c1=O ZINC000765638935 660732774 /nfs/dbraw/zinc/73/27/74/660732774.db2.gz NOXZMLDLADZDDY-UHFFFAOYSA-N -1 0 372.790 -0.325 20 0 FBADRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]C(=O)Cn1ncn(C)c1=O ZINC000765639462 660732763 /nfs/dbraw/zinc/73/27/63/660732763.db2.gz OADZHRLOZUSSIU-UHFFFAOYSA-N -1 0 370.435 -0.444 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000765640637 660732797 /nfs/dbraw/zinc/73/27/97/660732797.db2.gz GNKHBOUBLSZZJC-UHFFFAOYSA-N -1 0 366.355 -0.616 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CCNC(=O)OCC(F)(F)F ZINC000765640648 660732752 /nfs/dbraw/zinc/73/27/52/660732752.db2.gz GVEAWBGDVKKKFG-UHFFFAOYSA-N -1 0 358.298 -0.096 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)c2ccnn2C)co1 ZINC000765642186 660732767 /nfs/dbraw/zinc/73/27/67/660732767.db2.gz NXGAJACSPCGZSA-UHFFFAOYSA-N -1 0 362.389 -0.618 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000765647579 660732721 /nfs/dbraw/zinc/73/27/21/660732721.db2.gz DMEANVSNAWDKGE-UHFFFAOYSA-N -1 0 369.403 -0.520 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CNC(=O)Cc1cccc(F)c1 ZINC000765649104 660732761 /nfs/dbraw/zinc/73/27/61/660732761.db2.gz GFKAAHOHZJZHAX-UHFFFAOYSA-N -1 0 354.363 -0.277 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000765649943 660732805 /nfs/dbraw/zinc/73/28/05/660732805.db2.gz CFMLJKGCFUACFZ-UHFFFAOYSA-N -1 0 362.367 -0.089 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccnn2C)o1 ZINC000765650250 660732756 /nfs/dbraw/zinc/73/27/56/660732756.db2.gz JOZVVAISZQBFNP-UHFFFAOYSA-N -1 0 362.389 -0.618 20 0 FBADRM Cn1cc(-n2cc(C(=O)[N-]S(=O)(=O)c3ccnn3C)ccc2=O)cn1 ZINC000765650391 660732724 /nfs/dbraw/zinc/73/27/24/660732724.db2.gz OIYZKCPYECXFEB-UHFFFAOYSA-N -1 0 362.371 -0.577 20 0 FBADRM COc1c2cnn(C)c2ncc1C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765650436 660732728 /nfs/dbraw/zinc/73/27/28/660732728.db2.gz PKUGLCDXMHBFGR-UHFFFAOYSA-N -1 0 350.360 -0.171 20 0 FBADRM Cc1csc2ncc(C(=O)[N-]S(=O)(=O)c3ccnn3C)c(=O)n12 ZINC000765650505 660732786 /nfs/dbraw/zinc/73/27/86/660732786.db2.gz RCDNQENQTRNFRQ-UHFFFAOYSA-N -1 0 353.385 -0.083 20 0 FBADRM COc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)c2ccnn2C)cc1 ZINC000765650789 660732748 /nfs/dbraw/zinc/73/27/48/660732748.db2.gz FJYJCRBYFOOBPI-UHFFFAOYSA-N -1 0 352.372 -0.336 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000765651324 660732731 /nfs/dbraw/zinc/73/27/31/660732731.db2.gz VXLNDLJQVQNAPW-JTQLQIEISA-N -1 0 374.419 -0.139 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000765651330 660732699 /nfs/dbraw/zinc/73/26/99/660732699.db2.gz VXLNDLJQVQNAPW-SNVBAGLBSA-N -1 0 374.419 -0.139 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccccc1 ZINC000765651410 660732718 /nfs/dbraw/zinc/73/27/18/660732718.db2.gz IBZCYWOPFYWYFG-UHFFFAOYSA-N -1 0 350.400 -0.026 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000765651562 660732831 /nfs/dbraw/zinc/73/28/31/660732831.db2.gz KKPMPCAYVUHODO-SECBINFHSA-N -1 0 350.422 -0.961 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000765651565 660732812 /nfs/dbraw/zinc/73/28/12/660732812.db2.gz KKPMPCAYVUHODO-VIFPVBQESA-N -1 0 350.422 -0.961 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CSCC(=O)N1CCCCC1 ZINC000765651600 660732745 /nfs/dbraw/zinc/73/27/45/660732745.db2.gz XQFACIOHGDEKKY-UHFFFAOYSA-N -1 0 360.461 -0.029 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)c2ccnn2C)C1=O ZINC000765652209 660732792 /nfs/dbraw/zinc/73/27/92/660732792.db2.gz OELZNGDIUPVYHH-UHFFFAOYSA-N -1 0 357.392 -0.664 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CCCNC(=O)c1cccnc1 ZINC000765652294 660732815 /nfs/dbraw/zinc/73/28/15/660732815.db2.gz SIYKTIVMTYYOLM-UHFFFAOYSA-N -1 0 351.388 -0.170 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000765652533 660732829 /nfs/dbraw/zinc/73/28/29/660732829.db2.gz PFFHIVCULNJJME-LLVKDONJSA-N -1 0 363.399 -0.331 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000765652534 660732810 /nfs/dbraw/zinc/73/28/10/660732810.db2.gz PFFHIVCULNJJME-NSHDSACASA-N -1 0 363.399 -0.331 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CCn1c2ccccc2n(C)c1=O ZINC000765652568 660732798 /nfs/dbraw/zinc/73/27/98/660732798.db2.gz PEYALWHLZOCTIN-UHFFFAOYSA-N -1 0 363.399 -0.031 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1ccnn1C)S(=O)(=O)c1ccccc1 ZINC000765652588 660732795 /nfs/dbraw/zinc/73/27/95/660732795.db2.gz PVNGVIZPHPGSGB-UHFFFAOYSA-N -1 0 372.428 -0.454 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000765652645 660733043 /nfs/dbraw/zinc/73/30/43/660733043.db2.gz VCFYJTJWRLLIPG-UHFFFAOYSA-N -1 0 361.383 -0.021 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CCn1nnc2ccccc2c1=O ZINC000765652751 660732705 /nfs/dbraw/zinc/73/27/05/660732705.db2.gz PTHUVUDFTAKJDV-UHFFFAOYSA-N -1 0 362.371 -0.580 20 0 FBADRM C[C@@H](Sc1nnnn1C1CC1)C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765653133 660733050 /nfs/dbraw/zinc/73/30/50/660733050.db2.gz YVBCWNNPMBZBPN-SSDOTTSWSA-N -1 0 357.421 -0.273 20 0 FBADRM C[C@H](Sc1nnnn1C1CC1)C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765653134 660733031 /nfs/dbraw/zinc/73/30/31/660733031.db2.gz YVBCWNNPMBZBPN-ZETCQYMHSA-N -1 0 357.421 -0.273 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)COCCNC(=O)OC(C)(C)C ZINC000765653724 660733101 /nfs/dbraw/zinc/73/31/01/660733101.db2.gz AWVSKYOAGNVDKG-UHFFFAOYSA-N -1 0 362.408 -0.234 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000765654129 660733059 /nfs/dbraw/zinc/73/30/59/660733059.db2.gz GVINRYAECUNXLG-UHFFFAOYSA-N -1 0 357.392 -0.664 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000765654218 660733066 /nfs/dbraw/zinc/73/30/66/660733066.db2.gz HDDBTUXUSLJRDI-SSDOTTSWSA-N -1 0 354.310 -0.364 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000765654219 660733114 /nfs/dbraw/zinc/73/31/14/660733114.db2.gz HDDBTUXUSLJRDI-ZETCQYMHSA-N -1 0 354.310 -0.364 20 0 FBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)[N-]S(=O)(=O)c1ccnn1C)C2=O ZINC000765654732 660732967 /nfs/dbraw/zinc/73/29/67/660732967.db2.gz LSLOJMWSYSKHDE-UHFFFAOYSA-N -1 0 362.367 -0.170 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000765655193 660733085 /nfs/dbraw/zinc/73/30/85/660733085.db2.gz NIZHMUUFSVPPGF-GHMZBOCLSA-N -1 0 368.415 -0.210 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000765655206 660733016 /nfs/dbraw/zinc/73/30/16/660733016.db2.gz NIZHMUUFSVPPGF-PHIMTYICSA-N -1 0 368.415 -0.210 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000765655209 660733074 /nfs/dbraw/zinc/73/30/74/660733074.db2.gz NIZHMUUFSVPPGF-QWRGUYRKSA-N -1 0 368.415 -0.210 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1cncc(N2CCOCC2)c1 ZINC000765655697 660733013 /nfs/dbraw/zinc/73/30/13/660733013.db2.gz FCBDSZMQEOGHDL-UHFFFAOYSA-N -1 0 351.388 -0.230 20 0 FBADRM COc1ccc(C(=O)[N-]S(=O)(=O)c2ccnn2C)cc1-n1cnnn1 ZINC000765655823 660733005 /nfs/dbraw/zinc/73/30/05/660733005.db2.gz HFDGHARZAHHGLL-UHFFFAOYSA-N -1 0 363.359 -0.477 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccnn2C)ccc1OCC(N)=O ZINC000765656082 660733069 /nfs/dbraw/zinc/73/30/69/660733069.db2.gz ORXIFHRPBCTCKQ-UHFFFAOYSA-N -1 0 368.371 -0.589 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000765657217 660733094 /nfs/dbraw/zinc/73/30/94/660733094.db2.gz WYNGIIUETHYVRV-UHFFFAOYSA-N -1 0 363.355 -0.659 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)[N-]S(=O)(=O)c2ccnn2C)c1 ZINC000765657538 660733024 /nfs/dbraw/zinc/73/30/24/660733024.db2.gz MCPZUZHCDDIKTA-UHFFFAOYSA-N -1 0 361.405 -0.883 20 0 FBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765657714 660732959 /nfs/dbraw/zinc/73/29/59/660732959.db2.gz XTNCICOYHBPSLQ-UHFFFAOYSA-N -1 0 351.344 -0.313 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000765657864 660733137 /nfs/dbraw/zinc/73/31/37/660733137.db2.gz ZSDRLVYTUVJNNY-UHFFFAOYSA-N -1 0 354.392 -0.255 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccnn2C)cc1 ZINC000765658407 660733142 /nfs/dbraw/zinc/73/31/42/660733142.db2.gz RLTCMWHSSYFDSU-UHFFFAOYSA-N -1 0 372.428 -0.211 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2ccnn2C)c1 ZINC000765661295 660733127 /nfs/dbraw/zinc/73/31/27/660733127.db2.gz FTPALUQZVHKRAQ-UHFFFAOYSA-N -1 0 372.428 -0.211 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)nc1 ZINC000765661539 660733036 /nfs/dbraw/zinc/73/30/36/660733036.db2.gz ISGGMUYYFFYBIC-UHFFFAOYSA-N -1 0 351.388 -0.230 20 0 FBADRM Cc1cccc2c(=O)n(CC(=O)[N-]S(=O)(=O)c3ccnn3C)cnc12 ZINC000765661588 660732954 /nfs/dbraw/zinc/73/29/54/660732954.db2.gz JQRZQNVRLNTTIW-UHFFFAOYSA-N -1 0 361.383 -0.056 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)COCCNC(=O)c1ccccc1 ZINC000765662783 660733133 /nfs/dbraw/zinc/73/31/33/660733133.db2.gz MLVKFLRJRJOUSJ-UHFFFAOYSA-N -1 0 366.399 -0.328 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CN1C(=O)COc2ccccc21 ZINC000765663512 660733054 /nfs/dbraw/zinc/73/30/54/660733054.db2.gz SQOODHJYDPMALS-UHFFFAOYSA-N -1 0 350.356 -0.349 20 0 FBADRM Cc1cc(NC(=O)CSCC(=O)[N-]S(=O)(=O)c2ccnn2C)no1 ZINC000765663538 660733122 /nfs/dbraw/zinc/73/31/22/660733122.db2.gz UOWGNPNOFVXZOK-UHFFFAOYSA-N -1 0 373.416 -0.107 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccnn1C)N1C(=O)NC2(CCCC2)C1=O ZINC000765663680 660733080 /nfs/dbraw/zinc/73/30/80/660733080.db2.gz XEFLPIYVWVVCMS-SECBINFHSA-N -1 0 369.403 -0.522 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccnn1C)N1C(=O)NC2(CCCC2)C1=O ZINC000765663681 660732981 /nfs/dbraw/zinc/73/29/81/660732981.db2.gz XEFLPIYVWVVCMS-VIFPVBQESA-N -1 0 369.403 -0.522 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000765664136 660732950 /nfs/dbraw/zinc/73/29/50/660732950.db2.gz YUNHTNYATQHCPG-JTQLQIEISA-N -1 0 352.372 -0.133 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000765664137 660733110 /nfs/dbraw/zinc/73/31/10/660733110.db2.gz YUNHTNYATQHCPG-SNVBAGLBSA-N -1 0 352.372 -0.133 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)[N-]S(=O)(=O)c2cccs2)CC1 ZINC000765965048 660735137 /nfs/dbraw/zinc/73/51/37/660735137.db2.gz CAHWGQXXMAOIOL-UHFFFAOYSA-N -1 0 367.474 -0.870 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000765986129 660735548 /nfs/dbraw/zinc/73/55/48/660735548.db2.gz OYHQOJVBZSGXCT-BDAKNGLRSA-N -1 0 359.370 -0.160 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000765986132 660735390 /nfs/dbraw/zinc/73/53/90/660735390.db2.gz OYHQOJVBZSGXCT-IUCAKERBSA-N -1 0 359.370 -0.160 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000765987056 660735414 /nfs/dbraw/zinc/73/54/14/660735414.db2.gz SNBHWLJGIKUVMN-UWVGGRQHSA-N -1 0 353.341 -0.259 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000765987057 660735504 /nfs/dbraw/zinc/73/55/04/660735504.db2.gz SNBHWLJGIKUVMN-ZJUUUORDSA-N -1 0 353.341 -0.259 20 0 FBADRM CC(=O)N1CCN(CCNC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)CC1 ZINC000766001817 660735678 /nfs/dbraw/zinc/73/56/78/660735678.db2.gz UAQVIVRZJSCARZ-LBPRGKRZSA-N -1 0 366.384 -0.030 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCN1CCCS1(=O)=O ZINC000766005810 660735633 /nfs/dbraw/zinc/73/56/33/660735633.db2.gz REWXPFCWTSGIGO-VIFPVBQESA-N -1 0 359.370 -0.159 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000766005886 660735821 /nfs/dbraw/zinc/73/58/21/660735821.db2.gz SHEIXAMBWRPKTD-QMMMGPOBSA-N -1 0 360.358 -0.963 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000766009051 660735767 /nfs/dbraw/zinc/73/57/67/660735767.db2.gz ISQUCBHZQOVETB-NEPJUHHUSA-N -1 0 369.384 -0.159 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000766009052 660735837 /nfs/dbraw/zinc/73/58/37/660735837.db2.gz ISQUCBHZQOVETB-RYUDHWBXSA-N -1 0 369.384 -0.159 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cn1 ZINC000766237275 660737780 /nfs/dbraw/zinc/73/77/80/660737780.db2.gz LYQVDZCQSNFZKD-LLVKDONJSA-N -1 0 374.419 -0.139 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cn1 ZINC000766237278 660737784 /nfs/dbraw/zinc/73/77/84/660737784.db2.gz LYQVDZCQSNFZKD-NSHDSACASA-N -1 0 374.419 -0.139 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1cccn2c(=O)[nH]nc12 ZINC000766273858 660738447 /nfs/dbraw/zinc/73/84/47/660738447.db2.gz FWCBRWYYVMYOQY-UHFFFAOYSA-N -1 0 350.360 -0.096 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2cccn3c(=O)[nH]nc23)c1Cl ZINC000766274141 660738472 /nfs/dbraw/zinc/73/84/72/660738472.db2.gz IAXRRSGTENUFAJ-UHFFFAOYSA-N -1 0 356.751 -0.060 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cccn3c(=O)[nH]nc23)s1 ZINC000766277313 660738505 /nfs/dbraw/zinc/73/85/05/660738505.db2.gz SMZWMEZBBONXHU-UHFFFAOYSA-N -1 0 367.368 -0.286 20 0 FBADRM CC(C)S(=O)(=O)[N-]C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000766324221 660738867 /nfs/dbraw/zinc/73/88/67/660738867.db2.gz BCPCAHMZHJDKEJ-UHFFFAOYSA-N -1 0 369.447 -0.240 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000766359915 660739226 /nfs/dbraw/zinc/73/92/26/660739226.db2.gz IMRQPJHIGISQMA-UHFFFAOYSA-N -1 0 355.420 -0.629 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000766361348 660739295 /nfs/dbraw/zinc/73/92/95/660739295.db2.gz UILSGMSSMHWZKZ-JTQLQIEISA-N -1 0 352.409 -0.285 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000766361349 660739220 /nfs/dbraw/zinc/73/92/20/660739220.db2.gz UILSGMSSMHWZKZ-SNVBAGLBSA-N -1 0 352.409 -0.285 20 0 FBADRM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)C1 ZINC000766363519 660739166 /nfs/dbraw/zinc/73/91/66/660739166.db2.gz HREWKGKCSTUSHL-GHMZBOCLSA-N -1 0 364.420 -0.143 20 0 FBADRM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)C1 ZINC000766363520 660739323 /nfs/dbraw/zinc/73/93/23/660739323.db2.gz HREWKGKCSTUSHL-MNOVXSKESA-N -1 0 364.420 -0.143 20 0 FBADRM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)C1 ZINC000766363521 660739173 /nfs/dbraw/zinc/73/91/73/660739173.db2.gz HREWKGKCSTUSHL-QWRGUYRKSA-N -1 0 364.420 -0.143 20 0 FBADRM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)C1 ZINC000766363522 660739250 /nfs/dbraw/zinc/73/92/50/660739250.db2.gz HREWKGKCSTUSHL-WDEREUQCSA-N -1 0 364.420 -0.143 20 0 FBADRM CCCS(=O)(=O)[N-]C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000766376212 660739197 /nfs/dbraw/zinc/73/91/97/660739197.db2.gz TZGSNKKKPNMIRO-UHFFFAOYSA-N -1 0 369.447 -0.239 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000766380939 660739574 /nfs/dbraw/zinc/73/95/74/660739574.db2.gz YDZLXVMKAXRUJO-JTQLQIEISA-N -1 0 351.425 -0.065 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000766380940 660739522 /nfs/dbraw/zinc/73/95/22/660739522.db2.gz YDZLXVMKAXRUJO-SNVBAGLBSA-N -1 0 351.425 -0.065 20 0 FBADRM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)[N-]S(=O)(=O)c2cnccn2)C1 ZINC000766401590 660739699 /nfs/dbraw/zinc/73/96/99/660739699.db2.gz STXXRXGSVIXPAY-JTQLQIEISA-N -1 0 372.403 -0.083 20 0 FBADRM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)[N-]S(=O)(=O)c2cnccn2)C1 ZINC000766401591 660739630 /nfs/dbraw/zinc/73/96/30/660739630.db2.gz STXXRXGSVIXPAY-SNVBAGLBSA-N -1 0 372.403 -0.083 20 0 FBADRM Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)c2ccsc2)c(=O)n(C)c1=O ZINC000766442913 660739916 /nfs/dbraw/zinc/73/99/16/660739916.db2.gz CTQSUXZFGGJSJH-ARJAWSKDSA-N -1 0 355.397 -0.336 20 0 FBADRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)c2ccsc2)c(=O)n(C)c1=O ZINC000766442915 660739992 /nfs/dbraw/zinc/73/99/92/660739992.db2.gz CTQSUXZFGGJSJH-ONEGZZNKSA-N -1 0 355.397 -0.336 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000766453052 660739907 /nfs/dbraw/zinc/73/99/07/660739907.db2.gz KUABIECWPZAVTM-LLVKDONJSA-N -1 0 359.429 -0.320 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000766453054 660739987 /nfs/dbraw/zinc/73/99/87/660739987.db2.gz KUABIECWPZAVTM-NSHDSACASA-N -1 0 359.429 -0.320 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)[N-]S(=O)(=O)c1ccsc1)c2=O ZINC000766453893 660739906 /nfs/dbraw/zinc/73/99/06/660739906.db2.gz PVYKPCGXEZONMT-UHFFFAOYSA-N -1 0 353.385 -0.303 20 0 FBADRM O=C(NCCS(=O)(=O)CC1CC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000766610584 660741037 /nfs/dbraw/zinc/74/10/37/660741037.db2.gz JPHLLIQZJKMFPX-UHFFFAOYSA-N -1 0 352.372 -0.009 20 0 FBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)nn1 ZINC000766614351 660740871 /nfs/dbraw/zinc/74/08/71/660740871.db2.gz QIUVCGXHIIQEQI-UHFFFAOYSA-N -1 0 362.375 -0.218 20 0 FBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)c2ncccc2C(=O)N(C)C)nn1 ZINC000766615397 660740937 /nfs/dbraw/zinc/74/09/37/660740937.db2.gz BPHCEFPEHYSSPD-UHFFFAOYSA-N -1 0 366.403 -0.096 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cn1 ZINC000766615448 660741039 /nfs/dbraw/zinc/74/10/39/660741039.db2.gz CTLQWADOWLEMMR-LLVKDONJSA-N -1 0 363.399 -0.331 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cn1 ZINC000766615450 660740914 /nfs/dbraw/zinc/74/09/14/660740914.db2.gz CTLQWADOWLEMMR-NSHDSACASA-N -1 0 363.399 -0.331 20 0 FBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(CNC(N)=O)cc2)nn1 ZINC000766624425 660741258 /nfs/dbraw/zinc/74/12/58/660741258.db2.gz HLUMBXWJAMMTLN-UHFFFAOYSA-N -1 0 366.403 -0.025 20 0 FBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)OC)CC2)nn1 ZINC000766624611 660741104 /nfs/dbraw/zinc/74/11/04/660741104.db2.gz OLVSYPQJFYJACU-UHFFFAOYSA-N -1 0 359.408 -0.452 20 0 FBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)N2CCC[C@@H]2C(=O)OCC)nn1 ZINC000766639352 660741189 /nfs/dbraw/zinc/74/11/89/660741189.db2.gz PMXSEOBHFDZDNA-LLVKDONJSA-N -1 0 359.408 -0.310 20 0 FBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)N2CCC[C@H]2C(=O)OCC)nn1 ZINC000766639374 660741218 /nfs/dbraw/zinc/74/12/18/660741218.db2.gz PMXSEOBHFDZDNA-NSHDSACASA-N -1 0 359.408 -0.310 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766642842 660741138 /nfs/dbraw/zinc/74/11/38/660741138.db2.gz BLKZAVKTMXXVRX-NEPJUHHUSA-N -1 0 355.416 -0.089 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766642844 660741245 /nfs/dbraw/zinc/74/12/45/660741245.db2.gz BLKZAVKTMXXVRX-NWDGAFQWSA-N -1 0 355.416 -0.089 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766642845 660741091 /nfs/dbraw/zinc/74/10/91/660741091.db2.gz BLKZAVKTMXXVRX-RYUDHWBXSA-N -1 0 355.416 -0.089 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766642847 660741293 /nfs/dbraw/zinc/74/12/93/660741293.db2.gz BLKZAVKTMXXVRX-VXGBXAGGSA-N -1 0 355.416 -0.089 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766643151 660741183 /nfs/dbraw/zinc/74/11/83/660741183.db2.gz QPPRDGGIQPDJOX-GFCCVEGCSA-N -1 0 355.416 -0.087 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766643153 660741202 /nfs/dbraw/zinc/74/12/02/660741202.db2.gz QPPRDGGIQPDJOX-LBPRGKRZSA-N -1 0 355.416 -0.087 20 0 FBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766646379 660741117 /nfs/dbraw/zinc/74/11/17/660741117.db2.gz SDJZSEAKHPQKQD-AAEUAGOBSA-N -1 0 353.400 -0.335 20 0 FBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766646388 660741242 /nfs/dbraw/zinc/74/12/42/660741242.db2.gz SDJZSEAKHPQKQD-DGCLKSJQSA-N -1 0 353.400 -0.335 20 0 FBADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766646392 660741265 /nfs/dbraw/zinc/74/12/65/660741265.db2.gz SDJZSEAKHPQKQD-WCQYABFASA-N -1 0 353.400 -0.335 20 0 FBADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766646401 660741172 /nfs/dbraw/zinc/74/11/72/660741172.db2.gz SDJZSEAKHPQKQD-YPMHNXCESA-N -1 0 353.400 -0.335 20 0 FBADRM CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cs1 ZINC000766652817 660741142 /nfs/dbraw/zinc/74/11/42/660741142.db2.gz KEKZRMWXFWRIKY-UHFFFAOYSA-N -1 0 354.431 -0.542 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)N2CCOCC2)cnn1C1CCOCC1 ZINC000766653611 660741168 /nfs/dbraw/zinc/74/11/68/660741168.db2.gz OZXWRXIYQQSJQG-UHFFFAOYSA-N -1 0 358.420 -0.150 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766660140 660741095 /nfs/dbraw/zinc/74/10/95/660741095.db2.gz DIMYHFTXXATGFF-GFCCVEGCSA-N -1 0 370.431 -0.631 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766660141 660741221 /nfs/dbraw/zinc/74/12/21/660741221.db2.gz DIMYHFTXXATGFF-LBPRGKRZSA-N -1 0 370.431 -0.631 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnccn1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766661035 660741247 /nfs/dbraw/zinc/74/12/47/660741247.db2.gz HSUKNQBRDQVLPD-LLVKDONJSA-N -1 0 361.383 -0.275 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnccn1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766661038 660741288 /nfs/dbraw/zinc/74/12/88/660741288.db2.gz HSUKNQBRDQVLPD-NSHDSACASA-N -1 0 361.383 -0.275 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1csc(S(C)(=O)=O)c1 ZINC000766661045 660741297 /nfs/dbraw/zinc/74/12/97/660741297.db2.gz KVNUUTHNGRDOTO-UHFFFAOYSA-N -1 0 371.458 -0.126 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1csc(S(C)(=O)=O)c1 ZINC000766664110 660741285 /nfs/dbraw/zinc/74/12/85/660741285.db2.gz QEMPACXOFLHSCV-UHFFFAOYSA-N -1 0 356.447 -0.296 20 0 FBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)nn1 ZINC000766669451 660741253 /nfs/dbraw/zinc/74/12/53/660741253.db2.gz IDJQOGYFLIWTSE-UHFFFAOYSA-N -1 0 359.393 -0.383 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766672533 660741670 /nfs/dbraw/zinc/74/16/70/660741670.db2.gz VLZANSMXWJTLAA-CHWSQXEVSA-N -1 0 367.427 -0.087 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766672534 660741606 /nfs/dbraw/zinc/74/16/06/660741606.db2.gz VLZANSMXWJTLAA-OLZOCXBDSA-N -1 0 367.427 -0.087 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766672535 660741808 /nfs/dbraw/zinc/74/18/08/660741808.db2.gz VLZANSMXWJTLAA-QWHCGFSZSA-N -1 0 367.427 -0.087 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000766672536 660741758 /nfs/dbraw/zinc/74/17/58/660741758.db2.gz VLZANSMXWJTLAA-STQMWFEESA-N -1 0 367.427 -0.087 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)c(=O)n(C)c1=O ZINC000766676905 660741802 /nfs/dbraw/zinc/74/18/02/660741802.db2.gz ZDHYKYWUDWPYOU-UHFFFAOYSA-N -1 0 357.310 -0.514 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)CCCC(F)(F)F)C(=O)C1=O ZINC000766677948 660741555 /nfs/dbraw/zinc/74/15/55/660741555.db2.gz HSIWQZZMUOPTSG-UHFFFAOYSA-N -1 0 373.353 -0.534 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)nn1 ZINC000766687216 660741707 /nfs/dbraw/zinc/74/17/07/660741707.db2.gz KBEHLXJQTDVEIA-UHFFFAOYSA-N -1 0 371.341 -0.232 20 0 FBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)CCCC(F)(F)F ZINC000766687343 660741824 /nfs/dbraw/zinc/74/18/24/660741824.db2.gz BJUUBMBPOMKPQP-UHFFFAOYSA-N -1 0 352.356 -0.190 20 0 FBADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)CCCC(F)(F)F)c1=O ZINC000766687977 660741641 /nfs/dbraw/zinc/74/16/41/660741641.db2.gz QBFCHXGVMLFMRM-UHFFFAOYSA-N -1 0 357.310 -0.665 20 0 FBADRM COC(=O)[C@@H](COC(C)C)N(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000766807076 660742570 /nfs/dbraw/zinc/74/25/70/660742570.db2.gz ATWGOWCHTJXTMV-LLVKDONJSA-N -1 0 351.363 -0.504 20 0 FBADRM COC(=O)[C@H](COC(C)C)N(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000766807292 660742578 /nfs/dbraw/zinc/74/25/78/660742578.db2.gz ATWGOWCHTJXTMV-NSHDSACASA-N -1 0 351.363 -0.504 20 0 FBADRM Cn1cc(/C=C\C(=O)Nc2nc(CC(=O)[O-])cs2)c(=O)n(C)c1=O ZINC000766812999 660742951 /nfs/dbraw/zinc/74/29/51/660742951.db2.gz DQFPQOXLOBWOQN-ARJAWSKDSA-N -1 0 350.356 -0.181 20 0 FBADRM Cn1cc(/C=C/C(=O)Nc2nc(CC(=O)[O-])cs2)c(=O)n(C)c1=O ZINC000766813003 660742969 /nfs/dbraw/zinc/74/29/69/660742969.db2.gz DQFPQOXLOBWOQN-ONEGZZNKSA-N -1 0 350.356 -0.181 20 0 FBADRM Cn1cc(/C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c(=O)n(C)c1=O ZINC000766815210 597169774 /nfs/dbraw/zinc/16/97/74/597169774.db2.gz RFGLMHZKNYLJRH-CKXPSTMWSA-N -1 0 357.366 -0.091 20 0 FBADRM Cn1cc(/C=C/C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c(=O)n(C)c1=O ZINC000766815213 597175083 /nfs/dbraw/zinc/17/50/83/597175083.db2.gz RFGLMHZKNYLJRH-MYSGNRETSA-N -1 0 357.366 -0.091 20 0 FBADRM Cn1cc(/C=C\C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c(=O)n(C)c1=O ZINC000766815218 597174854 /nfs/dbraw/zinc/17/48/54/597174854.db2.gz RFGLMHZKNYLJRH-QIAWRQBBSA-N -1 0 357.366 -0.091 20 0 FBADRM Cn1cc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c(=O)n(C)c1=O ZINC000766815221 597170213 /nfs/dbraw/zinc/17/02/13/597170213.db2.gz RFGLMHZKNYLJRH-VFNNOXKTSA-N -1 0 357.366 -0.091 20 0 FBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000766839147 660743500 /nfs/dbraw/zinc/74/35/00/660743500.db2.gz YFITUBYCEJYZSD-UHFFFAOYSA-N -1 0 351.344 -0.580 20 0 FBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000766843096 660743664 /nfs/dbraw/zinc/74/36/64/660743664.db2.gz IUHXNLOTIWAMSP-UHFFFAOYSA-N -1 0 361.397 -0.152 20 0 FBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)CC1 ZINC000766843798 660743507 /nfs/dbraw/zinc/74/35/07/660743507.db2.gz QSMKPEJZGFXZDV-UHFFFAOYSA-N -1 0 365.371 -0.365 20 0 FBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc(CNC(N)=O)cc2)CC1 ZINC000766852399 660743974 /nfs/dbraw/zinc/74/39/74/660743974.db2.gz LWNZODFZCWZYNW-UHFFFAOYSA-N -1 0 355.372 -0.387 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000766863150 660743943 /nfs/dbraw/zinc/74/39/43/660743943.db2.gz KYXYSSJNACRDKG-GFCCVEGCSA-N -1 0 369.399 -0.552 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000766863151 660744016 /nfs/dbraw/zinc/74/40/16/660744016.db2.gz KYXYSSJNACRDKG-LBPRGKRZSA-N -1 0 369.399 -0.552 20 0 FBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000766866736 660743961 /nfs/dbraw/zinc/74/39/61/660743961.db2.gz MBRUMJWPAIDBPC-UHFFFAOYSA-N -1 0 361.397 -0.152 20 0 FBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC1 ZINC000766866851 660744028 /nfs/dbraw/zinc/74/40/28/660744028.db2.gz BHYIKSYUFLXVDH-UHFFFAOYSA-N -1 0 352.368 -0.269 20 0 FBADRM CCN(CC(=O)NC)C(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000766875086 660743898 /nfs/dbraw/zinc/74/38/98/660743898.db2.gz HUPNXNPDYSWNNS-UHFFFAOYSA-N -1 0 357.388 -0.742 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)C1=NN(CC(C)C)C(=O)CC1 ZINC000766877884 660744023 /nfs/dbraw/zinc/74/40/23/660744023.db2.gz IWTKICNKZPOFRE-UHFFFAOYSA-N -1 0 363.436 -0.270 20 0 FBADRM O=C([O-])COc1cccc(C(=O)NCCS(=O)(=O)N2CCOCC2)c1 ZINC000766884898 660743907 /nfs/dbraw/zinc/74/39/07/660743907.db2.gz XGGPQHRIBPXVIZ-UHFFFAOYSA-N -1 0 372.399 -0.458 20 0 FBADRM CC[S@@](=O)CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000766892139 660743804 /nfs/dbraw/zinc/74/38/04/660743804.db2.gz NJFOHPFBJHCNRH-JOCHJYFZSA-N -1 0 362.429 -0.452 20 0 FBADRM CC[S@](=O)CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000766892140 660743982 /nfs/dbraw/zinc/74/39/82/660743982.db2.gz NJFOHPFBJHCNRH-QFIPXVFZSA-N -1 0 362.429 -0.452 20 0 FBADRM NC(=O)C1(NC(=O)CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)CCCC1 ZINC000766894478 660744036 /nfs/dbraw/zinc/74/40/36/660744036.db2.gz VCFBKEJHGNHTIZ-UHFFFAOYSA-N -1 0 369.399 -0.423 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC000766903236 660744032 /nfs/dbraw/zinc/74/40/32/660744032.db2.gz WJSNUQGGQOIXJF-GFCCVEGCSA-N -1 0 361.445 -0.158 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC000766903237 660743915 /nfs/dbraw/zinc/74/39/15/660743915.db2.gz WJSNUQGGQOIXJF-LBPRGKRZSA-N -1 0 361.445 -0.158 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)Cc2cccnc2)C1=O ZINC000766903928 660744039 /nfs/dbraw/zinc/74/40/39/660744039.db2.gz DUTXJAWFMRWHCS-HNNXBMFYSA-N -1 0 366.399 -0.252 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)Cc2cccnc2)C1=O ZINC000766903944 660743833 /nfs/dbraw/zinc/74/38/33/660743833.db2.gz DUTXJAWFMRWHCS-OAHLLOKOSA-N -1 0 366.399 -0.252 20 0 FBADRM CC1(Cn2cc(C(=O)[N-]S(=O)(=O)Cc3cccnc3)nn2)COC1 ZINC000766906680 660743816 /nfs/dbraw/zinc/74/38/16/660743816.db2.gz RPAGVGYQWVAUJM-UHFFFAOYSA-N -1 0 351.388 -0.031 20 0 FBADRM C[C@@H]1CN(c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cn2)C[C@H](C)O1 ZINC000766908391 660743987 /nfs/dbraw/zinc/74/39/87/660743987.db2.gz BEBDRHSEMCNHOV-AOOOYVTPSA-N -1 0 356.404 -0.760 20 0 FBADRM C[C@@H]1CN(c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cn2)C[C@@H](C)O1 ZINC000766908396 660744005 /nfs/dbraw/zinc/74/40/05/660744005.db2.gz BEBDRHSEMCNHOV-NXEZZACHSA-N -1 0 356.404 -0.760 20 0 FBADRM C[C@H]1CN(c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cn2)C[C@H](C)O1 ZINC000766908403 660743985 /nfs/dbraw/zinc/74/39/85/660743985.db2.gz BEBDRHSEMCNHOV-UWVGGRQHSA-N -1 0 356.404 -0.760 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCCOc1ccc2c(c1)CCC(=O)N2 ZINC000766908449 660744337 /nfs/dbraw/zinc/74/43/37/660744337.db2.gz BJAWFYOCYUVDLM-UHFFFAOYSA-N -1 0 369.399 -0.338 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)[N-]S(=O)(=O)Cc2cccnc2)c1 ZINC000766908694 660744372 /nfs/dbraw/zinc/74/43/72/660744372.db2.gz CZRZCZHBLIMNGT-UHFFFAOYSA-N -1 0 372.428 -0.080 20 0 FBADRM Cn1ccnc1SCc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)o1 ZINC000766908911 660744377 /nfs/dbraw/zinc/74/43/77/660744377.db2.gz DRQVXOCWXZWHCQ-UHFFFAOYSA-N -1 0 358.401 -0.150 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCSc1ccc2c(c1)OCCO2 ZINC000766908916 660744383 /nfs/dbraw/zinc/74/43/83/660744383.db2.gz DZTHKGZYMSRXTF-UHFFFAOYSA-N -1 0 360.413 -0.129 20 0 FBADRM COc1ccc(Br)cc1CC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766909262 660744407 /nfs/dbraw/zinc/74/44/07/660744407.db2.gz HXWXBSXHULYPNM-UHFFFAOYSA-N -1 0 365.205 -0.069 20 0 FBADRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)Cc2cccnc2)c(=O)n(C)c1=O ZINC000766909724 660744345 /nfs/dbraw/zinc/74/43/45/660744345.db2.gz LNIRNMCGWDMXAG-AATRIKPKSA-N -1 0 364.383 -0.862 20 0 FBADRM Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)Cc2cccnc2)c(=O)n(C)c1=O ZINC000766909726 660744399 /nfs/dbraw/zinc/74/43/99/660744399.db2.gz LNIRNMCGWDMXAG-WAYWQWQTSA-N -1 0 364.383 -0.862 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)COc1cccc(NC(=O)C2CC2)c1 ZINC000766910410 660744332 /nfs/dbraw/zinc/74/43/32/660744332.db2.gz OPZSLJNFWZUPFO-UHFFFAOYSA-N -1 0 355.372 -0.655 20 0 FBADRM COc1ccc(Br)c(CC(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766910559 660744363 /nfs/dbraw/zinc/74/43/63/660744363.db2.gz PYZUIPZHGYPBHV-UHFFFAOYSA-N -1 0 365.205 -0.069 20 0 FBADRM COc1cc2cc(C(=O)[N-]S(=O)(=O)CC(N)=O)[nH]c2c(OC)c1OC ZINC000766910590 660744325 /nfs/dbraw/zinc/74/43/25/660744325.db2.gz QFPMDNJLVZCOLQ-UHFFFAOYSA-N -1 0 371.371 -0.261 20 0 FBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC000766910699 660744324 /nfs/dbraw/zinc/74/43/24/660744324.db2.gz STWOHSVDVUBOEQ-UHFFFAOYSA-N -1 0 366.399 -0.108 20 0 FBADRM O=C(Cn1nnc2ccccc2c1=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC000766910863 660744414 /nfs/dbraw/zinc/74/44/14/660744414.db2.gz TYWGWIUIDAFNSA-UHFFFAOYSA-N -1 0 359.367 -0.167 20 0 FBADRM CC(=O)[C@H]1CC(C(=O)[N-]S(=O)(=O)CC(N)=O)=NN1c1ccccc1 ZINC000766910984 660744389 /nfs/dbraw/zinc/74/43/89/660744389.db2.gz RZARFVRMYKNUIK-GFCCVEGCSA-N -1 0 352.372 -0.858 20 0 FBADRM CC(=O)[C@@H]1CC(C(=O)[N-]S(=O)(=O)CC(N)=O)=NN1c1ccccc1 ZINC000766910986 660744339 /nfs/dbraw/zinc/74/43/39/660744339.db2.gz RZARFVRMYKNUIK-LBPRGKRZSA-N -1 0 352.372 -0.858 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1nccn2c(Br)cnc12 ZINC000766911015 660744322 /nfs/dbraw/zinc/74/43/22/660744322.db2.gz TUZJPTRRRZVWDZ-UHFFFAOYSA-N -1 0 362.165 -0.963 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000766911022 660744411 /nfs/dbraw/zinc/74/44/11/660744411.db2.gz UCINDPCSESYUKG-UHFFFAOYSA-N -1 0 367.339 -0.342 20 0 FBADRM Cc1nc(COc2cccc(C(=O)[N-]S(=O)(=O)CC(N)=O)c2)no1 ZINC000766911525 660744330 /nfs/dbraw/zinc/74/43/30/660744330.db2.gz XBMIEICHYNOYLJ-UHFFFAOYSA-N -1 0 354.344 -0.498 20 0 FBADRM Cc1ccc(N2C[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CCC2=O)cc1C ZINC000766911554 660744393 /nfs/dbraw/zinc/74/43/93/660744393.db2.gz XYXADSFZVSMONG-GFCCVEGCSA-N -1 0 367.427 -0.022 20 0 FBADRM Cc1ccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CCC2=O)cc1C ZINC000766911555 660744323 /nfs/dbraw/zinc/74/43/23/660744323.db2.gz XYXADSFZVSMONG-LBPRGKRZSA-N -1 0 367.427 -0.022 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1csc(I)c1 ZINC000766911587 660744350 /nfs/dbraw/zinc/74/43/50/660744350.db2.gz YXBIJYZJCIZQPX-UHFFFAOYSA-N -1 0 374.181 -0.102 20 0 FBADRM Cc1cc(C)n(-c2ccc(CC(=O)[N-]S(=O)(=O)CC(N)=O)cc2)n1 ZINC000766911699 660744318 /nfs/dbraw/zinc/74/43/18/660744318.db2.gz ZLXZCFXSWWPVME-UHFFFAOYSA-N -1 0 350.400 -0.037 20 0 FBADRM CC(=O)CCc1ccc(OCCC(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766914368 660744331 /nfs/dbraw/zinc/74/43/31/660744331.db2.gz AFVOJBHEHSXHOC-UHFFFAOYSA-N -1 0 356.400 -0.092 20 0 FBADRM COC(=O)COc1c(C)cc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1C ZINC000766914463 660744334 /nfs/dbraw/zinc/74/43/34/660744334.db2.gz AZJHGLVMADYTEE-UHFFFAOYSA-N -1 0 358.372 -0.600 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000766914531 660744348 /nfs/dbraw/zinc/74/43/48/660744348.db2.gz CEUONMXRGBVYJY-UHFFFAOYSA-N -1 0 368.198 -0.346 20 0 FBADRM CCOc1ccccc1N1C[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC1=O ZINC000766914543 660744396 /nfs/dbraw/zinc/74/43/96/660744396.db2.gz CKIHDNWUSHDOOJ-JTQLQIEISA-N -1 0 369.399 -0.631 20 0 FBADRM CCOc1ccccc1N1C[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC1=O ZINC000766914551 660744319 /nfs/dbraw/zinc/74/43/19/660744319.db2.gz CKIHDNWUSHDOOJ-SNVBAGLBSA-N -1 0 369.399 -0.631 20 0 FBADRM CCn1c(SCC(=O)[N-]S(=O)(=O)CC(N)=O)nnc1-c1ccco1 ZINC000766914592 660744381 /nfs/dbraw/zinc/74/43/81/660744381.db2.gz DDJIQDZFXMODIB-UHFFFAOYSA-N -1 0 373.416 -0.419 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC000766915160 660744385 /nfs/dbraw/zinc/74/43/85/660744385.db2.gz FVADSDMDLFZVOG-UHFFFAOYSA-N -1 0 363.395 -0.109 20 0 FBADRM CCc1ccc(N2C[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2=O)cc1 ZINC000766915433 660744403 /nfs/dbraw/zinc/74/44/03/660744403.db2.gz JBRRSRUGPVZYFG-LLVKDONJSA-N -1 0 353.400 -0.467 20 0 FBADRM CCc1ccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2=O)cc1 ZINC000766915434 660744359 /nfs/dbraw/zinc/74/43/59/660744359.db2.gz JBRRSRUGPVZYFG-NSHDSACASA-N -1 0 353.400 -0.467 20 0 FBADRM CC(=O)N[C@@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)c1c(F)cccc1F ZINC000766915929 660744335 /nfs/dbraw/zinc/74/43/35/660744335.db2.gz JOJBOYOKFCYTNI-JTQLQIEISA-N -1 0 363.342 -0.537 20 0 FBADRM CC(=O)N[C@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)c1c(F)cccc1F ZINC000766915930 660744746 /nfs/dbraw/zinc/74/47/46/660744746.db2.gz JOJBOYOKFCYTNI-SNVBAGLBSA-N -1 0 363.342 -0.537 20 0 FBADRM CC(C)CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)c1ccccc1 ZINC000766915969 660744872 /nfs/dbraw/zinc/74/48/72/660744872.db2.gz KDBFPEFNNAYTGW-AWEZNQCLSA-N -1 0 355.416 -0.179 20 0 FBADRM CC(C)CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)c1ccccc1 ZINC000766915970 660744852 /nfs/dbraw/zinc/74/48/52/660744852.db2.gz KDBFPEFNNAYTGW-CQSZACIVSA-N -1 0 355.416 -0.179 20 0 FBADRM COc1ccc(CCC(=O)[N-]S(=O)(=O)CC(N)=O)c(OC)c1OC ZINC000766915978 660744754 /nfs/dbraw/zinc/74/47/54/660744754.db2.gz KFLVMYVXTQJPJK-UHFFFAOYSA-N -1 0 360.388 -0.424 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(NC(=O)c2cccnc2)c1 ZINC000766915988 660744750 /nfs/dbraw/zinc/74/47/50/660744750.db2.gz KOJRIZNURFQPEG-UHFFFAOYSA-N -1 0 362.367 -0.121 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1nc(NCc2ccco2)ncc1Cl ZINC000766915990 660744843 /nfs/dbraw/zinc/74/48/43/660744843.db2.gz KQLQRXQVTCYOCU-UHFFFAOYSA-N -1 0 373.778 -0.120 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCn1c(=O)oc2cc(Cl)ccc21 ZINC000766916094 660744818 /nfs/dbraw/zinc/74/48/18/660744818.db2.gz MKIMXUFJFBKOES-UHFFFAOYSA-N -1 0 361.763 -0.431 20 0 FBADRM CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766916780 660744753 /nfs/dbraw/zinc/74/47/53/660744753.db2.gz PVIAHFDJLNEACK-CYBMUJFWSA-N -1 0 370.431 -0.558 20 0 FBADRM CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766916787 660744749 /nfs/dbraw/zinc/74/47/49/660744749.db2.gz PVIAHFDJLNEACK-ZDUSSCGKSA-N -1 0 370.431 -0.558 20 0 FBADRM CCc1nc(COc2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2)no1 ZINC000766916813 660744879 /nfs/dbraw/zinc/74/48/79/660744879.db2.gz PZOSYBFBHISNLX-UHFFFAOYSA-N -1 0 368.371 -0.244 20 0 FBADRM CC(C)(C)C(=O)Nc1nc(CC(=O)[N-]S(=O)(=O)CC(N)=O)cs1 ZINC000766916822 660744848 /nfs/dbraw/zinc/74/48/48/660744848.db2.gz QDWCQNVJVJZOIM-UHFFFAOYSA-N -1 0 362.433 -0.399 20 0 FBADRM CCOc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)ccc1OCC(=O)OC ZINC000766917439 660744859 /nfs/dbraw/zinc/74/48/59/660744859.db2.gz QQEHDRRSYQPVJP-UHFFFAOYSA-N -1 0 374.371 -0.818 20 0 FBADRM Cc1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2=O)ccc1F ZINC000766917453 660744831 /nfs/dbraw/zinc/74/48/31/660744831.db2.gz RGZRCSCEMZTGSB-SECBINFHSA-N -1 0 357.363 -0.582 20 0 FBADRM Cc1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2=O)ccc1F ZINC000766917454 660744796 /nfs/dbraw/zinc/74/47/96/660744796.db2.gz RGZRCSCEMZTGSB-VIFPVBQESA-N -1 0 357.363 -0.582 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000766918226 660744788 /nfs/dbraw/zinc/74/47/88/660744788.db2.gz VBPSOYOMKMZIKC-UHFFFAOYSA-N -1 0 366.399 -0.025 20 0 FBADRM COc1cc(CCC(=O)[N-]S(=O)(=O)CC(N)=O)cc(OC)c1OC ZINC000766918242 660744762 /nfs/dbraw/zinc/74/47/62/660744762.db2.gz VSSMJDZEGDCBJU-UHFFFAOYSA-N -1 0 360.388 -0.424 20 0 FBADRM CSc1ccc(N2C[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2=O)cc1 ZINC000766918358 660744748 /nfs/dbraw/zinc/74/47/48/660744748.db2.gz XUTMDNLMUUAOLQ-SECBINFHSA-N -1 0 371.440 -0.307 20 0 FBADRM CSc1ccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2=O)cc1 ZINC000766918362 660744882 /nfs/dbraw/zinc/74/48/82/660744882.db2.gz XUTMDNLMUUAOLQ-VIFPVBQESA-N -1 0 371.440 -0.307 20 0 FBADRM CC(=O)N[C@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)c1ccc(Cl)cc1 ZINC000766918382 660744800 /nfs/dbraw/zinc/74/48/00/660744800.db2.gz YESSEAVJZGMCOQ-LLVKDONJSA-N -1 0 361.807 -0.161 20 0 FBADRM CC(=O)N[C@@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)c1ccc(Cl)cc1 ZINC000766918383 660744759 /nfs/dbraw/zinc/74/47/59/660744759.db2.gz YESSEAVJZGMCOQ-NSHDSACASA-N -1 0 361.807 -0.161 20 0 FBADRM COc1ccc(C(=O)CCC(=O)[N-]S(=O)(=O)CC(N)=O)cc1OC ZINC000766918393 660744771 /nfs/dbraw/zinc/74/47/71/660744771.db2.gz YFYVLIDLODSOCN-UHFFFAOYSA-N -1 0 358.372 -0.402 20 0 FBADRM Cc1cccc(N2C[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2=O)c1C ZINC000766918785 660744760 /nfs/dbraw/zinc/74/47/60/660744760.db2.gz YQPNQHZTIMDLQD-LLVKDONJSA-N -1 0 353.400 -0.412 20 0 FBADRM Cc1cccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2=O)c1C ZINC000766918786 660744747 /nfs/dbraw/zinc/74/47/47/660744747.db2.gz YQPNQHZTIMDLQD-NSHDSACASA-N -1 0 353.400 -0.412 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H](c1ccccc1)N1CCCCC1=O ZINC000766919067 660744765 /nfs/dbraw/zinc/74/47/65/660744765.db2.gz ACZDKBYFXDQJHE-AWEZNQCLSA-N -1 0 353.400 -0.329 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000766919071 660744828 /nfs/dbraw/zinc/74/48/28/660744828.db2.gz ACZDKBYFXDQJHE-CQSZACIVSA-N -1 0 353.400 -0.329 20 0 FBADRM COc1ccc(-c2cc(C(=O)[N-]S(=O)(=O)CC(N)=O)[nH]n2)cc1OC ZINC000766919104 660744793 /nfs/dbraw/zinc/74/47/93/660744793.db2.gz AKOPZTZYEBELED-UHFFFAOYSA-N -1 0 368.371 -0.361 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000766919191 660744886 /nfs/dbraw/zinc/74/48/86/660744886.db2.gz BITRMSDMUYWISJ-UHFFFAOYSA-N -1 0 352.372 -0.904 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)CC(N)=O)nnn1-c1cccc(Cl)c1 ZINC000766919236 660744757 /nfs/dbraw/zinc/74/47/57/660744757.db2.gz BWKFNZZDOXHQQV-UHFFFAOYSA-N -1 0 357.779 -0.226 20 0 FBADRM CC(=O)N[C@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)c1ccc(F)cc1F ZINC000766920191 660744875 /nfs/dbraw/zinc/74/48/75/660744875.db2.gz DZFBNEZVRPNEEB-LLVKDONJSA-N -1 0 363.342 -0.537 20 0 FBADRM CC(=O)N[C@@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)c1ccc(F)cc1F ZINC000766920196 660744866 /nfs/dbraw/zinc/74/48/66/660744866.db2.gz DZFBNEZVRPNEEB-NSHDSACASA-N -1 0 363.342 -0.537 20 0 FBADRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)n1nnc(-c2ccccc2)n1 ZINC000766920316 660744836 /nfs/dbraw/zinc/74/48/36/660744836.db2.gz ALKAAYDBRPEBDN-GFCCVEGCSA-N -1 0 366.403 -0.532 20 0 FBADRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)n1nnc(-c2ccccc2)n1 ZINC000766920320 660744857 /nfs/dbraw/zinc/74/48/57/660744857.db2.gz ALKAAYDBRPEBDN-LBPRGKRZSA-N -1 0 366.403 -0.532 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)COc1ccccc1OCC(F)(F)F ZINC000766920396 660744804 /nfs/dbraw/zinc/74/48/04/660744804.db2.gz GQZNNOFGZRGGRC-UHFFFAOYSA-N -1 0 370.305 -0.062 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000766920492 660744773 /nfs/dbraw/zinc/74/47/73/660744773.db2.gz GWXXGDJWVPJPDN-JTQLQIEISA-N -1 0 363.436 -0.045 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000766920497 660745118 /nfs/dbraw/zinc/74/51/18/660745118.db2.gz GWXXGDJWVPJPDN-SNVBAGLBSA-N -1 0 363.436 -0.045 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000766920499 660745090 /nfs/dbraw/zinc/74/50/90/660745090.db2.gz GXNIMHLSLUGQCD-UHFFFAOYSA-N -1 0 364.339 -0.926 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000766920516 660745175 /nfs/dbraw/zinc/74/51/75/660745175.db2.gz HATSXFYCSAMMOF-LURJTMIESA-N -1 0 361.298 -0.919 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000766920533 660745152 /nfs/dbraw/zinc/74/51/52/660745152.db2.gz HATSXFYCSAMMOF-ZCFIWIBFSA-N -1 0 361.298 -0.919 20 0 FBADRM CC(C)(C)OC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)o1 ZINC000766920535 660745081 /nfs/dbraw/zinc/74/50/81/660745081.db2.gz HBSDLZPHNRDKSR-UHFFFAOYSA-N -1 0 361.376 -0.151 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000766920651 660745136 /nfs/dbraw/zinc/74/51/36/660745136.db2.gz CXTQVDIMJALPCT-SSDOTTSWSA-N -1 0 361.326 -0.751 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000766920655 660745054 /nfs/dbraw/zinc/74/50/54/660745054.db2.gz CXTQVDIMJALPCT-ZETCQYMHSA-N -1 0 361.326 -0.751 20 0 FBADRM CC(=O)CCc1ccc(O[C@H](C)C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766920681 660745184 /nfs/dbraw/zinc/74/51/84/660745184.db2.gz DOTRONLKGVEGQC-LLVKDONJSA-N -1 0 356.400 -0.093 20 0 FBADRM CC(=O)CCc1ccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766920693 660745113 /nfs/dbraw/zinc/74/51/13/660745113.db2.gz DOTRONLKGVEGQC-NSHDSACASA-N -1 0 356.400 -0.093 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1sc(N2CCCC2)nc1Cl ZINC000766921373 660745190 /nfs/dbraw/zinc/74/51/90/660745190.db2.gz JEJGANSFENPCRC-UHFFFAOYSA-N -1 0 352.825 -0.058 20 0 FBADRM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766921394 660745162 /nfs/dbraw/zinc/74/51/62/660745162.db2.gz GGEFPCVSQDWKHI-UHFFFAOYSA-N -1 0 352.372 -0.184 20 0 FBADRM COc1ccc(C(=O)NCCCC(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766921412 660745149 /nfs/dbraw/zinc/74/51/49/660745149.db2.gz GPBPPLPTBWRTTK-UHFFFAOYSA-N -1 0 357.388 -0.864 20 0 FBADRM Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)C2)cc1 ZINC000766921421 660745088 /nfs/dbraw/zinc/74/50/88/660745088.db2.gz JSLFHUMDQCDLMU-CYBMUJFWSA-N -1 0 367.427 -0.221 20 0 FBADRM Cc1ccc(C(=O)N2CCC[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)C2)cc1 ZINC000766921426 660745067 /nfs/dbraw/zinc/74/50/67/660745067.db2.gz JSLFHUMDQCDLMU-ZDUSSCGKSA-N -1 0 367.427 -0.221 20 0 FBADRM CCOc1ccccc1[C@@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)NC(C)=O ZINC000766921437 660745186 /nfs/dbraw/zinc/74/51/86/660745186.db2.gz HFFVTMWQTOWLRU-GFCCVEGCSA-N -1 0 371.415 -0.416 20 0 FBADRM CCOc1ccccc1[C@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)NC(C)=O ZINC000766921439 660745139 /nfs/dbraw/zinc/74/51/39/660745139.db2.gz HFFVTMWQTOWLRU-LBPRGKRZSA-N -1 0 371.415 -0.416 20 0 FBADRM CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766921471 660745168 /nfs/dbraw/zinc/74/51/68/660745168.db2.gz KAUHWGGYDPQNBK-SSDOTTSWSA-N -1 0 353.422 -0.772 20 0 FBADRM CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766921474 660745132 /nfs/dbraw/zinc/74/51/32/660745132.db2.gz KAUHWGGYDPQNBK-ZETCQYMHSA-N -1 0 353.422 -0.772 20 0 FBADRM COc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)nc1Br ZINC000766921484 660745121 /nfs/dbraw/zinc/74/51/21/660745121.db2.gz HUCYGWDSQNYFQN-UHFFFAOYSA-N -1 0 352.166 -0.602 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000766921537 660745179 /nfs/dbraw/zinc/74/51/79/660745179.db2.gz KRENRMGLALTBSR-UHFFFAOYSA-N -1 0 358.376 -0.155 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000766921572 660745170 /nfs/dbraw/zinc/74/51/70/660745170.db2.gz LIPLFQGXGLDNGS-JTQLQIEISA-N -1 0 359.429 -0.787 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000766921575 660745193 /nfs/dbraw/zinc/74/51/93/660745193.db2.gz LIPLFQGXGLDNGS-SNVBAGLBSA-N -1 0 359.429 -0.787 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000766921697 660745104 /nfs/dbraw/zinc/74/51/04/660745104.db2.gz AVLFBXVNPYCDKJ-UHFFFAOYSA-N -1 0 373.284 -0.094 20 0 FBADRM COc1ccc([C@@H]2[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC(=O)N2C)cc1 ZINC000766921703 660745101 /nfs/dbraw/zinc/74/51/01/660745101.db2.gz BDRPQQHDMRJAKG-BXUZGUMPSA-N -1 0 369.399 -0.854 20 0 FBADRM COc1ccc([C@H]2[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC(=O)N2C)cc1 ZINC000766921704 660745044 /nfs/dbraw/zinc/74/50/44/660745044.db2.gz BDRPQQHDMRJAKG-FZMZJTMJSA-N -1 0 369.399 -0.854 20 0 FBADRM COc1ccc([C@H]2[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC(=O)N2C)cc1 ZINC000766921705 660745165 /nfs/dbraw/zinc/74/51/65/660745165.db2.gz BDRPQQHDMRJAKG-RISCZKNCSA-N -1 0 369.399 -0.854 20 0 FBADRM COc1ccc([C@@H]2[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC(=O)N2C)cc1 ZINC000766921706 660745195 /nfs/dbraw/zinc/74/51/95/660745195.db2.gz BDRPQQHDMRJAKG-SMDDNHRTSA-N -1 0 369.399 -0.854 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC000766921944 660745077 /nfs/dbraw/zinc/74/50/77/660745077.db2.gz DZRYQMKJWLTMFW-UHFFFAOYSA-N -1 0 353.331 -0.479 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000766922305 660745126 /nfs/dbraw/zinc/74/51/26/660745126.db2.gz KXWZOORDCQRZAH-UHFFFAOYSA-N -1 0 362.357 -0.711 20 0 FBADRM Cc1sc2ncn(CC(=O)[N-]S(=O)(=O)CC(N)=O)c(=O)c2c1C ZINC000766922371 660745086 /nfs/dbraw/zinc/74/50/86/660745086.db2.gz MTVVWOPMYJTDPK-UHFFFAOYSA-N -1 0 358.401 -0.994 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000766922376 660745072 /nfs/dbraw/zinc/74/50/72/660745072.db2.gz MWVUOHSYPOSBFN-GFCCVEGCSA-N -1 0 365.411 -0.541 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000766922469 660745108 /nfs/dbraw/zinc/74/51/08/660745108.db2.gz MWVUOHSYPOSBFN-LBPRGKRZSA-N -1 0 365.411 -0.541 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000766922497 660745129 /nfs/dbraw/zinc/74/51/29/660745129.db2.gz NFEYFVZZJUCZDX-LLVKDONJSA-N -1 0 371.390 -0.391 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000766922500 660745406 /nfs/dbraw/zinc/74/54/06/660745406.db2.gz NFEYFVZZJUCZDX-NSHDSACASA-N -1 0 371.390 -0.391 20 0 FBADRM Cc1ccc(NC(=O)CSCC(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766922923 660745413 /nfs/dbraw/zinc/74/54/13/660745413.db2.gz OTLMUFORGJZSDI-UHFFFAOYSA-N -1 0 359.429 -0.402 20 0 FBADRM COc1ccc(C)cc1-n1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)n1 ZINC000766923125 660745157 /nfs/dbraw/zinc/74/51/57/660745157.db2.gz NDQODPDYBVPHMN-UHFFFAOYSA-N -1 0 352.372 -0.266 20 0 FBADRM CSc1cccc(N2C[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2=O)c1 ZINC000766923147 660745390 /nfs/dbraw/zinc/74/53/90/660745390.db2.gz NUIWBLSJVPSOPS-SECBINFHSA-N -1 0 371.440 -0.307 20 0 FBADRM CSc1cccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2=O)c1 ZINC000766923149 660745452 /nfs/dbraw/zinc/74/54/52/660745452.db2.gz NUIWBLSJVPSOPS-VIFPVBQESA-N -1 0 371.440 -0.307 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000766923169 660745359 /nfs/dbraw/zinc/74/53/59/660745359.db2.gz NXJMHBGLOUMJBG-GFCCVEGCSA-N -1 0 353.400 -0.530 20 0 FBADRM C[C@]1(C(=O)[N-]S(=O)(=O)CC(N)=O)CCCN(C(=O)c2ccccc2)C1 ZINC000766923170 660745333 /nfs/dbraw/zinc/74/53/33/660745333.db2.gz HUGXINXNPRECBX-INIZCTEOSA-N -1 0 367.427 -0.140 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000766923171 660745429 /nfs/dbraw/zinc/74/54/29/660745429.db2.gz NXJMHBGLOUMJBG-LBPRGKRZSA-N -1 0 353.400 -0.530 20 0 FBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)CC(N)=O)CCCN(C(=O)c2ccccc2)C1 ZINC000766923172 660745386 /nfs/dbraw/zinc/74/53/86/660745386.db2.gz HUGXINXNPRECBX-MRXNPFEDSA-N -1 0 367.427 -0.140 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCCNC(=O)c1ccc(Cl)cc1 ZINC000766923174 660745306 /nfs/dbraw/zinc/74/53/06/660745306.db2.gz NXTMLLIUNDOWLA-UHFFFAOYSA-N -1 0 361.807 -0.219 20 0 FBADRM CC(C)NC(=O)CSc1ccccc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766923269 660745325 /nfs/dbraw/zinc/74/53/25/660745325.db2.gz PSKWFUAUTISNPP-UHFFFAOYSA-N -1 0 373.456 -0.152 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 ZINC000766923273 660745337 /nfs/dbraw/zinc/74/53/37/660745337.db2.gz PZOUBKHZNYRGFX-GFCCVEGCSA-N -1 0 353.400 -0.849 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 ZINC000766923275 660745458 /nfs/dbraw/zinc/74/54/58/660745458.db2.gz PZOUBKHZNYRGFX-LBPRGKRZSA-N -1 0 353.400 -0.849 20 0 FBADRM Cc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)nn1-c1nc(C)cc(C)n1 ZINC000766923298 660745399 /nfs/dbraw/zinc/74/53/99/660745399.db2.gz QMLHHJCRDWDXHP-UHFFFAOYSA-N -1 0 352.376 -0.868 20 0 FBADRM CC(C)(C)n1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)c(Br)n1 ZINC000766923721 660745424 /nfs/dbraw/zinc/74/54/24/660745424.db2.gz QPPIEGYZFWPKDB-UHFFFAOYSA-N -1 0 367.225 -0.055 20 0 FBADRM CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766923825 660745348 /nfs/dbraw/zinc/74/53/48/660745348.db2.gz SMWZQRURBGUNIN-QMMMGPOBSA-N -1 0 369.465 -0.436 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCNC(=O)N1CCc2ccccc2C1 ZINC000766923845 660745290 /nfs/dbraw/zinc/74/52/90/660745290.db2.gz TXPBXQOUDCISFO-UHFFFAOYSA-N -1 0 368.415 -0.924 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)COc1ccc(Br)cc1 ZINC000766923879 660745351 /nfs/dbraw/zinc/74/53/51/660745351.db2.gz JJTAZOOSOUGFFX-UHFFFAOYSA-N -1 0 351.178 -0.241 20 0 FBADRM CSCC[C@@H](NC(=O)c1ccccc1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766923903 660745354 /nfs/dbraw/zinc/74/53/54/660745354.db2.gz KEJVHNRGIIAMPZ-LLVKDONJSA-N -1 0 373.456 -0.531 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCC(=O)CCC(=O)c1cccs1 ZINC000766923912 660745381 /nfs/dbraw/zinc/74/53/81/660745381.db2.gz SCQKKXCWCASBRM-UHFFFAOYSA-N -1 0 360.413 -0.008 20 0 FBADRM CSCC[C@H](NC(=O)c1ccccc1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766923915 660745395 /nfs/dbraw/zinc/74/53/95/660745395.db2.gz KEJVHNRGIIAMPZ-NSHDSACASA-N -1 0 373.456 -0.531 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000766923939 660745373 /nfs/dbraw/zinc/74/53/73/660745373.db2.gz KVDZOEYCVOYKCV-UHFFFAOYSA-N -1 0 362.354 -0.056 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000766923944 660745377 /nfs/dbraw/zinc/74/53/77/660745377.db2.gz SLRSNKDWSMXZSW-UHFFFAOYSA-N -1 0 374.440 -0.052 20 0 FBADRM CC(C)(C)OC(=O)N1CCC(CC(=O)[N-]S(=O)(=O)CC(N)=O)CC1 ZINC000766923946 660745365 /nfs/dbraw/zinc/74/53/65/660745365.db2.gz SMXUJIDPCVJWKJ-UHFFFAOYSA-N -1 0 363.436 -0.045 20 0 FBADRM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766923982 660745432 /nfs/dbraw/zinc/74/54/32/660745432.db2.gz LVEFWHWWYHGZHT-CYBMUJFWSA-N -1 0 353.400 -0.546 20 0 FBADRM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766923984 660745331 /nfs/dbraw/zinc/74/53/31/660745331.db2.gz LVEFWHWWYHGZHT-ZDUSSCGKSA-N -1 0 353.400 -0.546 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCC(=O)c1ccc2c(c1)OCCCO2 ZINC000766923996 660745462 /nfs/dbraw/zinc/74/54/62/660745462.db2.gz MJFXBFXTZDIVQN-UHFFFAOYSA-N -1 0 370.383 -0.258 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000766924011 660745440 /nfs/dbraw/zinc/74/54/40/660745440.db2.gz UDQBIUBBXRAVEX-SECBINFHSA-N -1 0 359.429 -0.326 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000766924012 660745636 /nfs/dbraw/zinc/74/56/36/660745636.db2.gz UDQBIUBBXRAVEX-VIFPVBQESA-N -1 0 359.429 -0.326 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccccc1I ZINC000766924019 660745717 /nfs/dbraw/zinc/74/57/17/660745717.db2.gz UMMJQKWYFLYLJW-UHFFFAOYSA-N -1 0 368.152 -0.164 20 0 FBADRM CCCNC(=O)Nc1ccc(CC(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766924089 660745747 /nfs/dbraw/zinc/74/57/47/660745747.db2.gz UUXZDZFHZHQZSU-UHFFFAOYSA-N -1 0 356.404 -0.308 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000766924113 660745709 /nfs/dbraw/zinc/74/57/09/660745709.db2.gz UVJCCCHLNNLZKE-UHFFFAOYSA-N -1 0 365.161 -0.277 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000766924226 660745751 /nfs/dbraw/zinc/74/57/51/660745751.db2.gz DHCVKCWOOKGNBE-AWEZNQCLSA-N -1 0 356.400 -0.145 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000766924229 660745651 /nfs/dbraw/zinc/74/56/51/660745651.db2.gz DHCVKCWOOKGNBE-CQSZACIVSA-N -1 0 356.400 -0.145 20 0 FBADRM COc1ccc(Cn2cc(C(=O)[N-]S(=O)(=O)CC(N)=O)cn2)cc1 ZINC000766924446 660745623 /nfs/dbraw/zinc/74/56/23/660745623.db2.gz ULVBDSSMOFIODQ-UHFFFAOYSA-N -1 0 352.372 -0.515 20 0 FBADRM CN(C)C(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)c(Cl)c1 ZINC000766924512 660745741 /nfs/dbraw/zinc/74/57/41/660745741.db2.gz UZUGXTFECPRTBZ-UHFFFAOYSA-N -1 0 362.795 -0.022 20 0 FBADRM Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766924584 660745646 /nfs/dbraw/zinc/74/56/46/660745646.db2.gz VXXFKWXBHQPXTI-GFCCVEGCSA-N -1 0 353.400 -0.583 20 0 FBADRM Cc1ccc(CN2C(=O)CC[C@H]2C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766924586 660745749 /nfs/dbraw/zinc/74/57/49/660745749.db2.gz VXXFKWXBHQPXTI-LBPRGKRZSA-N -1 0 353.400 -0.583 20 0 FBADRM CC(C)C(=O)N(C)Cc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766924635 660745617 /nfs/dbraw/zinc/74/56/17/660745617.db2.gz WNXMRANKAFQWFH-UHFFFAOYSA-N -1 0 355.416 -0.154 20 0 FBADRM CCCc1ccc(N2C[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2=O)cc1 ZINC000766924643 660745727 /nfs/dbraw/zinc/74/57/27/660745727.db2.gz WTYXIHKLOFUMQT-GFCCVEGCSA-N -1 0 367.427 -0.077 20 0 FBADRM CCCc1ccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2=O)cc1 ZINC000766924644 660745695 /nfs/dbraw/zinc/74/56/95/660745695.db2.gz WTYXIHKLOFUMQT-LBPRGKRZSA-N -1 0 367.427 -0.077 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](c1ccccc1)N1CCSCC1 ZINC000766924669 660745639 /nfs/dbraw/zinc/74/56/39/660745639.db2.gz XPJCPZVGVSIAHQ-CYBMUJFWSA-N -1 0 357.457 -0.292 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H](c1ccccc1)N1CCSCC1 ZINC000766924670 660745626 /nfs/dbraw/zinc/74/56/26/660745626.db2.gz XPJCPZVGVSIAHQ-ZDUSSCGKSA-N -1 0 357.457 -0.292 20 0 FBADRM Cc1nc(COc2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2)no1 ZINC000766924716 660745737 /nfs/dbraw/zinc/74/57/37/660745737.db2.gz HWXGVJKHMGGBTG-UHFFFAOYSA-N -1 0 354.344 -0.498 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000766924720 660745712 /nfs/dbraw/zinc/74/57/12/660745712.db2.gz VCQIFKOFORYRDU-UHFFFAOYSA-N -1 0 355.372 -0.877 20 0 FBADRM COCCOc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766924778 660745734 /nfs/dbraw/zinc/74/57/34/660745734.db2.gz OOIMOEGLFDGUQI-UHFFFAOYSA-N -1 0 350.780 -0.090 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000766924815 660745661 /nfs/dbraw/zinc/74/56/61/660745661.db2.gz PCJKZFYLEBOQTN-CYBMUJFWSA-N -1 0 367.427 -0.601 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000766924817 660745729 /nfs/dbraw/zinc/74/57/29/660745729.db2.gz PCJKZFYLEBOQTN-ZDUSSCGKSA-N -1 0 367.427 -0.601 20 0 FBADRM COc1ccc(C2(C(=O)[N-]S(=O)(=O)CC(N)=O)CCOCC2)cc1 ZINC000766924925 660745681 /nfs/dbraw/zinc/74/56/81/660745681.db2.gz XDXWMOPLKDQKDA-UHFFFAOYSA-N -1 0 356.400 -0.325 20 0 FBADRM CCCn1c2ccccc2n(CCC(=O)[N-]S(=O)(=O)CC(N)=O)c1=O ZINC000766924952 660745677 /nfs/dbraw/zinc/74/56/77/660745677.db2.gz XIXCUUCVMPOIEA-UHFFFAOYSA-N -1 0 368.415 -0.466 20 0 FBADRM CCOc1ccccc1C(=O)NCCCC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766925118 660745656 /nfs/dbraw/zinc/74/56/56/660745656.db2.gz XYHFPELKAKKTDG-UHFFFAOYSA-N -1 0 371.415 -0.473 20 0 FBADRM CC(C)(C)OC(=O)NCc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)ccn1 ZINC000766925245 660745744 /nfs/dbraw/zinc/74/57/44/660745744.db2.gz YTDZVZGZFSPXST-UHFFFAOYSA-N -1 0 372.403 -0.349 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cnn2c1nccc2-c1ccccc1 ZINC000766925309 660745723 /nfs/dbraw/zinc/74/57/23/660745723.db2.gz ZKJSAXKJFFCOTL-UHFFFAOYSA-N -1 0 359.367 -0.059 20 0 FBADRM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766925355 660745731 /nfs/dbraw/zinc/74/57/31/660745731.db2.gz ZRICTKYPLLYTQC-VIFPVBQESA-N -1 0 351.425 -0.143 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)COc1cccc(N2CCCC2=O)c1 ZINC000766925386 660745671 /nfs/dbraw/zinc/74/56/71/660745671.db2.gz AQGFZZQLFPNKPD-UHFFFAOYSA-N -1 0 355.372 -0.877 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC000766925416 660745690 /nfs/dbraw/zinc/74/56/90/660745690.db2.gz ZWDHRQFQOKZHOB-UHFFFAOYSA-N -1 0 359.448 -0.217 20 0 FBADRM COC(=O)c1cn(CC(=O)[N-]S(=O)(=O)CC(N)=O)c2ccccc12 ZINC000766925424 660745686 /nfs/dbraw/zinc/74/56/86/660745686.db2.gz ASIBHOICXSGHQR-UHFFFAOYSA-N -1 0 353.356 -0.641 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000766925431 660745643 /nfs/dbraw/zinc/74/56/43/660745643.db2.gz IMZHCOGPFQRCRN-LLVKDONJSA-N -1 0 368.415 -0.138 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000766925434 660745739 /nfs/dbraw/zinc/74/57/39/660745739.db2.gz IMZHCOGPFQRCRN-NSHDSACASA-N -1 0 368.415 -0.138 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000766925542 660745667 /nfs/dbraw/zinc/74/56/67/660745667.db2.gz BVJBWOMYHZWXRB-SSDOTTSWSA-N -1 0 361.326 -0.751 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000766925543 660745753 /nfs/dbraw/zinc/74/57/53/660745753.db2.gz BVJBWOMYHZWXRB-ZETCQYMHSA-N -1 0 361.326 -0.751 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCCNC(=O)c1ccc(F)cc1F ZINC000766925552 660745629 /nfs/dbraw/zinc/74/56/29/660745629.db2.gz CCKYJSMSQHYRSE-UHFFFAOYSA-N -1 0 363.342 -0.594 20 0 FBADRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000766925601 660745901 /nfs/dbraw/zinc/74/59/01/660745901.db2.gz JZTLPZOWZRORJL-GFCCVEGCSA-N -1 0 367.383 -0.762 20 0 FBADRM COc1ccccc1-c1nn(C)cc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766925604 660745992 /nfs/dbraw/zinc/74/59/92/660745992.db2.gz DEEBAWKIYUTOSA-UHFFFAOYSA-N -1 0 352.372 -0.359 20 0 FBADRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000766925606 660745853 /nfs/dbraw/zinc/74/58/53/660745853.db2.gz JZTLPZOWZRORJL-LBPRGKRZSA-N -1 0 367.383 -0.762 20 0 FBADRM COCCc1ccc(OCCCC(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766925620 660745888 /nfs/dbraw/zinc/74/58/88/660745888.db2.gz DSMXQXRBHLVDAK-UHFFFAOYSA-N -1 0 358.416 -0.034 20 0 FBADRM Cc1cccc2c1ncn(CCC(=O)[N-]S(=O)(=O)CC(N)=O)c2=O ZINC000766925623 660745926 /nfs/dbraw/zinc/74/59/26/660745926.db2.gz DWMNWPLPYSNDMR-UHFFFAOYSA-N -1 0 352.372 -0.974 20 0 FBADRM CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766925638 660745939 /nfs/dbraw/zinc/74/59/39/660745939.db2.gz KSHHZPSBSQYAJL-CYBMUJFWSA-N -1 0 351.425 -0.141 20 0 FBADRM CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766925639 660745897 /nfs/dbraw/zinc/74/58/97/660745897.db2.gz KSHHZPSBSQYAJL-ZDUSSCGKSA-N -1 0 351.425 -0.141 20 0 FBADRM Cc1nc(COc2ccccc2C(=O)[N-]S(=O)(=O)CC(N)=O)no1 ZINC000766925734 660745893 /nfs/dbraw/zinc/74/58/93/660745893.db2.gz SGTLXBYUPPICHK-UHFFFAOYSA-N -1 0 354.344 -0.498 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(CN2CCCCC2=O)cc1 ZINC000766925854 660745942 /nfs/dbraw/zinc/74/59/42/660745942.db2.gz TZCHNWWUPQFABM-UHFFFAOYSA-N -1 0 353.400 -0.256 20 0 FBADRM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766926083 660745935 /nfs/dbraw/zinc/74/59/35/660745935.db2.gz FWJXLNZBSYFBTD-CYBMUJFWSA-N -1 0 351.384 -0.118 20 0 FBADRM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766926088 660745975 /nfs/dbraw/zinc/74/59/75/660745975.db2.gz FWJXLNZBSYFBTD-ZDUSSCGKSA-N -1 0 351.384 -0.118 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000766926090 660745929 /nfs/dbraw/zinc/74/59/29/660745929.db2.gz FXYQHLQZGJIIDG-UHFFFAOYSA-N -1 0 356.356 -0.648 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766926094 660745879 /nfs/dbraw/zinc/74/58/79/660745879.db2.gz FYWQKGBRUATXMS-LURJTMIESA-N -1 0 359.351 -0.534 20 0 FBADRM CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766926095 660745952 /nfs/dbraw/zinc/74/59/52/660745952.db2.gz FYWQKGBRUATXMS-ZCFIWIBFSA-N -1 0 359.351 -0.534 20 0 FBADRM Cc1c(CC(=O)[N-]S(=O)(=O)CC(N)=O)nnn1-c1ccc(C)cc1 ZINC000766926173 660745932 /nfs/dbraw/zinc/74/59/32/660745932.db2.gz GXZWHMZSVGRZEW-UHFFFAOYSA-N -1 0 351.388 -0.642 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766926316 660745962 /nfs/dbraw/zinc/74/59/62/660745962.db2.gz IHUZCVXUAGODGQ-UHFFFAOYSA-N -1 0 356.328 -0.772 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCC(=O)N1CCc2sccc2C1 ZINC000766926334 660745987 /nfs/dbraw/zinc/74/59/87/660745987.db2.gz IJZQLPSEEWKHKZ-UHFFFAOYSA-N -1 0 359.429 -0.656 20 0 FBADRM Cc1nn(C)c2nc(C3CC3)cc(C(=O)[N-]S(=O)(=O)CC(N)=O)c12 ZINC000766926352 660745868 /nfs/dbraw/zinc/74/58/68/660745868.db2.gz OAMLJWMIKHAMBV-UHFFFAOYSA-N -1 0 351.388 -0.301 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)COc1ccc(F)cc1Br ZINC000766926380 660205920 /nfs/dbraw/zinc/20/59/20/660205920.db2.gz ONCRQGGPYAMRBF-UHFFFAOYSA-N -1 0 369.168 -0.102 20 0 FBADRM C[C@H]1Oc2ccccc2N(CCC(=O)[N-]S(=O)(=O)CC(N)=O)C1=O ZINC000766926477 660745977 /nfs/dbraw/zinc/74/59/77/660745977.db2.gz VQCPVZJJDXYZEU-SECBINFHSA-N -1 0 355.372 -0.878 20 0 FBADRM C[C@@H]1Oc2ccccc2N(CCC(=O)[N-]S(=O)(=O)CC(N)=O)C1=O ZINC000766926479 660745955 /nfs/dbraw/zinc/74/59/55/660745955.db2.gz VQCPVZJJDXYZEU-VIFPVBQESA-N -1 0 355.372 -0.878 20 0 FBADRM Cc1sc2ncn(CCC(=O)[N-]S(=O)(=O)CC(N)=O)c(=O)c2c1C ZINC000766926532 660745981 /nfs/dbraw/zinc/74/59/81/660745981.db2.gz WKHHDTPPBGRSPL-UHFFFAOYSA-N -1 0 372.428 -0.604 20 0 FBADRM Cc1nn(-c2ccccc2)c(C)c1CC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766926598 660745923 /nfs/dbraw/zinc/74/59/23/660745923.db2.gz XUUBCGOGBMORCY-UHFFFAOYSA-N -1 0 350.400 -0.037 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCCC(=O)c1ccc2c(c1)OCCO2 ZINC000766926724 660745904 /nfs/dbraw/zinc/74/59/04/660745904.db2.gz ZIKUAVLPFPJKKO-UHFFFAOYSA-N -1 0 370.383 -0.258 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000766926751 660745959 /nfs/dbraw/zinc/74/59/59/660745959.db2.gz ZXAFXMIGQNBIDC-MRVPVSSYSA-N -1 0 363.189 -0.144 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1COc2ccc(Br)cc21 ZINC000766926752 660745989 /nfs/dbraw/zinc/74/59/89/660745989.db2.gz ZXAFXMIGQNBIDC-QMMMGPOBSA-N -1 0 363.189 -0.144 20 0 FBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)CC(N)=O)CCCN1C(=O)c1ccccc1 ZINC000766926779 660745985 /nfs/dbraw/zinc/74/59/85/660745985.db2.gz ORZRRNRRHHXLFL-HNNXBMFYSA-N -1 0 353.400 -0.387 20 0 FBADRM C[C@]1(C(=O)[N-]S(=O)(=O)CC(N)=O)CCCN1C(=O)c1ccccc1 ZINC000766926780 660745937 /nfs/dbraw/zinc/74/59/37/660745937.db2.gz ORZRRNRRHHXLFL-OAHLLOKOSA-N -1 0 353.400 -0.387 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000766926792 660745884 /nfs/dbraw/zinc/74/58/84/660745884.db2.gz PGJYIJOSTGIAAA-UHFFFAOYSA-N -1 0 367.305 -0.634 20 0 FBADRM COc1ccc(-c2noc(CCC(=O)[N-]S(=O)(=O)CC(N)=O)n2)cc1 ZINC000766926799 660745944 /nfs/dbraw/zinc/74/59/44/660745944.db2.gz PJXODIQQLMFQBO-UHFFFAOYSA-N -1 0 368.371 -0.391 20 0 FBADRM CSCc1nc2ccccc2n1CC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766926811 660745950 /nfs/dbraw/zinc/74/59/50/660745950.db2.gz JBGMDLDJBITBRL-UHFFFAOYSA-N -1 0 356.429 -0.169 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CNC(=O)Cc1cccc2ccccc21 ZINC000766926875 660745966 /nfs/dbraw/zinc/74/59/66/660745966.db2.gz KFZFMVKNZOMDPW-UHFFFAOYSA-N -1 0 363.395 -0.570 20 0 FBADRM CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766926940 660745971 /nfs/dbraw/zinc/74/59/71/660745971.db2.gz ROCBAGAIRKWOSC-GFCCVEGCSA-N -1 0 355.416 -0.555 20 0 FBADRM CCC[C@H](NC(=O)Cc1ccccc1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766926941 660745873 /nfs/dbraw/zinc/74/58/73/660745873.db2.gz ROCBAGAIRKWOSC-LBPRGKRZSA-N -1 0 355.416 -0.555 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cnn2cc(Br)cnc12 ZINC000766927029 660745979 /nfs/dbraw/zinc/74/59/79/660745979.db2.gz KYFNOLSBVVIAGE-UHFFFAOYSA-N -1 0 362.165 -0.963 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000766927047 660745973 /nfs/dbraw/zinc/74/59/73/660745973.db2.gz LGQIFNHSAVXXCU-GFCCVEGCSA-N -1 0 353.372 -0.733 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000766927048 660745860 /nfs/dbraw/zinc/74/58/60/660745860.db2.gz LGQIFNHSAVXXCU-LBPRGKRZSA-N -1 0 353.372 -0.733 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(I)cc1 ZINC000766927050 660745948 /nfs/dbraw/zinc/74/59/48/660745948.db2.gz LHOAQJYCZWLHNE-UHFFFAOYSA-N -1 0 368.152 -0.164 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)C[C@H](c1ccccc1)N1CCOC1=O ZINC000766927122 660745918 /nfs/dbraw/zinc/74/59/18/660745918.db2.gz LVTAIBFJOGLFHX-LLVKDONJSA-N -1 0 355.372 -0.499 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)C[C@@H](c1ccccc1)N1CCOC1=O ZINC000766927123 660745983 /nfs/dbraw/zinc/74/59/83/660745983.db2.gz LVTAIBFJOGLFHX-NSHDSACASA-N -1 0 355.372 -0.499 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(I)c1 ZINC000766927234 660746172 /nfs/dbraw/zinc/74/61/72/660746172.db2.gz LWPSMKTVIRRVBA-UHFFFAOYSA-N -1 0 368.152 -0.164 20 0 FBADRM Cc1ccc(-n2cnnc2SCC(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766927475 660746272 /nfs/dbraw/zinc/74/62/72/660746272.db2.gz NEXMKHJTTUQCNG-UHFFFAOYSA-N -1 0 369.428 -0.401 20 0 FBADRM CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766927479 660746233 /nfs/dbraw/zinc/74/62/33/660746233.db2.gz NGNYBZGMJGHBSY-MRVPVSSYSA-N -1 0 351.450 -0.745 20 0 FBADRM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766927507 660746156 /nfs/dbraw/zinc/74/61/56/660746156.db2.gz NGNYBZGMJGHBSY-QMMMGPOBSA-N -1 0 351.450 -0.745 20 0 FBADRM CC(C)Cn1nc(C(=O)[N-]S(=O)(=O)CC(N)=O)c2ccccc2c1=O ZINC000766927547 660746279 /nfs/dbraw/zinc/74/62/79/660746279.db2.gz VQWQRYQCMLSCAY-UHFFFAOYSA-N -1 0 366.399 -0.403 20 0 FBADRM CCOc1ccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2=O)cc1 ZINC000766927574 660746228 /nfs/dbraw/zinc/74/62/28/660746228.db2.gz NNHGNZQYSLEBKH-JTQLQIEISA-N -1 0 369.399 -0.631 20 0 FBADRM CCOc1ccc(N2C[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2=O)cc1 ZINC000766927575 660746290 /nfs/dbraw/zinc/74/62/90/660746290.db2.gz NNHGNZQYSLEBKH-SNVBAGLBSA-N -1 0 369.399 -0.631 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000766927623 660746262 /nfs/dbraw/zinc/74/62/62/660746262.db2.gz OHMXTAZEMGEUAY-MRVPVSSYSA-N -1 0 359.791 -0.376 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000766927625 660746212 /nfs/dbraw/zinc/74/62/12/660746212.db2.gz OHMXTAZEMGEUAY-QMMMGPOBSA-N -1 0 359.791 -0.376 20 0 FBADRM CCN1CCN(c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2F)CC1 ZINC000766927634 660746275 /nfs/dbraw/zinc/74/62/75/660746275.db2.gz OUDGFHKZQSLZLV-UHFFFAOYSA-N -1 0 372.422 -0.488 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc(OC)c1OC(F)F ZINC000766927697 660746166 /nfs/dbraw/zinc/74/61/66/660746166.db2.gz PQJVHYVIHPXRHF-UHFFFAOYSA-N -1 0 368.314 -0.150 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766927769 660746224 /nfs/dbraw/zinc/74/62/24/660746224.db2.gz ABUYAIMROQIQFK-WPRPVWTQSA-N -1 0 351.425 -0.143 20 0 FBADRM COc1ccc(-n2nnc(C(=O)[N-]S(=O)(=O)CC(N)=O)c2C)cc1 ZINC000766927806 660746208 /nfs/dbraw/zinc/74/62/08/660746208.db2.gz AOXQFTZGKGUSPO-UHFFFAOYSA-N -1 0 353.360 -0.871 20 0 FBADRM COc1cc(OC)c(OC)c2[nH]c(C(=O)[N-]S(=O)(=O)CC(N)=O)cc21 ZINC000766927812 660746134 /nfs/dbraw/zinc/74/61/34/660746134.db2.gz ATYDEHPINATUPK-UHFFFAOYSA-N -1 0 371.371 -0.261 20 0 FBADRM Cc1nnnn1/C(=C/c1cccc(F)c1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766927818 660746141 /nfs/dbraw/zinc/74/61/41/660746141.db2.gz AVEIPNMOUALPFU-IZZDOVSWSA-N -1 0 368.350 -0.950 20 0 FBADRM Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766927820 660746145 /nfs/dbraw/zinc/74/61/45/660746145.db2.gz AVEIPNMOUALPFU-WDZFZDKYSA-N -1 0 368.350 -0.950 20 0 FBADRM Cc1nn(C)c2nc(C)c(CCC(=O)[N-]S(=O)(=O)CC(N)=O)c(C)c12 ZINC000766927853 660746240 /nfs/dbraw/zinc/74/62/40/660746240.db2.gz BOKYDCYOFRKFME-UHFFFAOYSA-N -1 0 367.431 -0.243 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)COc1cccc(Br)c1 ZINC000766927920 660746162 /nfs/dbraw/zinc/74/61/62/660746162.db2.gz CXBOVWKQPOXVTI-UHFFFAOYSA-N -1 0 351.178 -0.241 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCC(=O)N1CCC(c2ccccc2)=N1 ZINC000766927928 660746269 /nfs/dbraw/zinc/74/62/69/660746269.db2.gz PUGSNZUIQZZRSH-UHFFFAOYSA-N -1 0 366.399 -0.666 20 0 FBADRM CC(C)CNC(=O)N1CCC[C@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000766927938 660746245 /nfs/dbraw/zinc/74/62/45/660746245.db2.gz DIWFLQLWHINYCX-LLVKDONJSA-N -1 0 362.452 -0.615 20 0 FBADRM CC(C)CNC(=O)N1CCC[C@@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000766927939 660746190 /nfs/dbraw/zinc/74/61/90/660746190.db2.gz DIWFLQLWHINYCX-NSHDSACASA-N -1 0 362.452 -0.615 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(-n2cnc3ccccc32)nc1 ZINC000766927942 660746267 /nfs/dbraw/zinc/74/62/67/660746267.db2.gz DLTKLSNRUQHRPM-UHFFFAOYSA-N -1 0 359.367 -0.035 20 0 FBADRM CC(C)(C)C(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766927945 660746248 /nfs/dbraw/zinc/74/62/48/660746248.db2.gz DRHILJNUUCOBHD-UHFFFAOYSA-N -1 0 355.416 -0.106 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000766927958 660746288 /nfs/dbraw/zinc/74/62/88/660746288.db2.gz YEGIPGLQIGLGPF-UHFFFAOYSA-N -1 0 364.305 -0.014 20 0 FBADRM CN(C(=O)CSCC(=O)[N-]S(=O)(=O)CC(N)=O)C1CCCCC1 ZINC000766927969 660746257 /nfs/dbraw/zinc/74/62/57/660746257.db2.gz YTCVHCIJYKLAKP-UHFFFAOYSA-N -1 0 365.477 -0.558 20 0 FBADRM CC(C)(C)c1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766927981 660746175 /nfs/dbraw/zinc/74/61/75/660746175.db2.gz YXOQBQYTQVMQFK-UHFFFAOYSA-N -1 0 355.416 -0.355 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CNC(=O)NCc1ccc(Cl)cc1 ZINC000766928010 660746204 /nfs/dbraw/zinc/74/62/04/660746204.db2.gz ZVQYCSBMSGVBBN-UHFFFAOYSA-N -1 0 362.795 -0.930 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000766928228 660746217 /nfs/dbraw/zinc/74/62/17/660746217.db2.gz RIPJPDHYPZUATC-LLVKDONJSA-N -1 0 355.372 -0.651 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000766928233 660746253 /nfs/dbraw/zinc/74/62/53/660746253.db2.gz RIPJPDHYPZUATC-NSHDSACASA-N -1 0 355.372 -0.651 20 0 FBADRM COc1ccc(C)cc1N1C[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC1=O ZINC000766928437 660746237 /nfs/dbraw/zinc/74/62/37/660746237.db2.gz QGLNFONRFZIORX-JTQLQIEISA-N -1 0 369.399 -0.712 20 0 FBADRM COc1ccc(C)cc1N1C[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC1=O ZINC000766928438 660746250 /nfs/dbraw/zinc/74/62/50/660746250.db2.gz QGLNFONRFZIORX-SNVBAGLBSA-N -1 0 369.399 -0.712 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000766928473 660746285 /nfs/dbraw/zinc/74/62/85/660746285.db2.gz RHYKYAHRKZMUTC-JTQLQIEISA-N -1 0 373.818 -0.380 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000766928476 660746186 /nfs/dbraw/zinc/74/61/86/660746186.db2.gz RHYKYAHRKZMUTC-SNVBAGLBSA-N -1 0 373.818 -0.380 20 0 FBADRM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766928497 660746282 /nfs/dbraw/zinc/74/62/82/660746282.db2.gz FVDUHTMLUIPQIK-CYBMUJFWSA-N -1 0 366.399 -0.854 20 0 FBADRM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766928498 660746182 /nfs/dbraw/zinc/74/61/82/660746182.db2.gz FVDUHTMLUIPQIK-ZDUSSCGKSA-N -1 0 366.399 -0.854 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000766928513 660746434 /nfs/dbraw/zinc/74/64/34/660746434.db2.gz SIORGLVWBIPDQL-MRVPVSSYSA-N -1 0 359.791 -0.376 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000766928515 660746506 /nfs/dbraw/zinc/74/65/06/660746506.db2.gz SIORGLVWBIPDQL-QMMMGPOBSA-N -1 0 359.791 -0.376 20 0 FBADRM COc1ccc(-n2nc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2C)cc1 ZINC000766928609 660746439 /nfs/dbraw/zinc/74/64/39/660746439.db2.gz IESJJRPGIOVSNJ-UHFFFAOYSA-N -1 0 352.372 -0.266 20 0 FBADRM Cc1ccc(CN2C[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2=O)cc1 ZINC000766928627 660746469 /nfs/dbraw/zinc/74/64/69/660746469.db2.gz IYOIBOYMUIQAES-GFCCVEGCSA-N -1 0 353.400 -0.725 20 0 FBADRM Cc1ccc(CN2C[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2=O)cc1 ZINC000766928628 660746438 /nfs/dbraw/zinc/74/64/38/660746438.db2.gz IYOIBOYMUIQAES-LBPRGKRZSA-N -1 0 353.400 -0.725 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000766928855 660746445 /nfs/dbraw/zinc/74/64/45/660746445.db2.gz VEUCNIWYAVBBCM-JTQLQIEISA-N -1 0 359.791 -0.376 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000766928856 660746492 /nfs/dbraw/zinc/74/64/92/660746492.db2.gz VEUCNIWYAVBBCM-SNVBAGLBSA-N -1 0 359.791 -0.376 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000766928916 660746401 /nfs/dbraw/zinc/74/64/01/660746401.db2.gz XHBCPWRWBBKFSV-LBPRGKRZSA-N -1 0 369.399 -0.281 20 0 FBADRM CCCCN1C(=O)c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2C1=O ZINC000766928920 660746409 /nfs/dbraw/zinc/74/64/09/660746409.db2.gz ULVLXDTYGLYCFG-UHFFFAOYSA-N -1 0 367.383 -0.372 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000766928921 660746517 /nfs/dbraw/zinc/74/65/17/660746517.db2.gz UMVAJZFRJLHSFI-UHFFFAOYSA-N -1 0 374.440 -0.730 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000766929007 660746462 /nfs/dbraw/zinc/74/64/62/660746462.db2.gz WRWCTBHPAOCLGF-UHFFFAOYSA-N -1 0 371.459 -0.360 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000766929008 660746418 /nfs/dbraw/zinc/74/64/18/660746418.db2.gz JRMTWUKBMMBWOK-CYBMUJFWSA-N -1 0 359.379 -0.870 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H](c1ccccc1F)N1CCOCC1 ZINC000766929011 660746412 /nfs/dbraw/zinc/74/64/12/660746412.db2.gz JRMTWUKBMMBWOK-ZDUSSCGKSA-N -1 0 359.379 -0.870 20 0 FBADRM Cc1cc(C)c(N2C[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2=O)c(C)c1 ZINC000766929016 660746442 /nfs/dbraw/zinc/74/64/42/660746442.db2.gz JRSQVFUSVVGWAV-GFCCVEGCSA-N -1 0 367.427 -0.104 20 0 FBADRM Cc1cc(C)c(N2C[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2=O)c(C)c1 ZINC000766929017 660746486 /nfs/dbraw/zinc/74/64/86/660746486.db2.gz JRSQVFUSVVGWAV-LBPRGKRZSA-N -1 0 367.427 -0.104 20 0 FBADRM CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)ccc1Cl ZINC000766929057 660746383 /nfs/dbraw/zinc/74/63/83/660746383.db2.gz YAJKKALPIIGFFW-UHFFFAOYSA-N -1 0 354.793 -0.712 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCC(=O)N1CCOc2ccccc21 ZINC000766929148 660746474 /nfs/dbraw/zinc/74/64/74/660746474.db2.gz LCAFFHYATWBIBU-UHFFFAOYSA-N -1 0 355.372 -0.877 20 0 FBADRM CCc1nc(C(=O)[N-]S(=O)(=O)CC(N)=O)nn1-c1ccccc1F ZINC000766929151 660746480 /nfs/dbraw/zinc/74/64/80/660746480.db2.gz LGNCMUQAJQGVDC-UHFFFAOYSA-N -1 0 355.351 -0.486 20 0 FBADRM Cc1ccc(N2C[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2=O)cc1F ZINC000766929227 660746406 /nfs/dbraw/zinc/74/64/06/660746406.db2.gz LISWYLWREDDXLK-SECBINFHSA-N -1 0 357.363 -0.582 20 0 FBADRM Cc1ccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2=O)cc1F ZINC000766929228 660746455 /nfs/dbraw/zinc/74/64/55/660746455.db2.gz LISWYLWREDDXLK-VIFPVBQESA-N -1 0 357.363 -0.582 20 0 FBADRM CCc1ccccc1N1C[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC1=O ZINC000766929308 660746395 /nfs/dbraw/zinc/74/63/95/660746395.db2.gz LLWNXTGYHMNIJU-LLVKDONJSA-N -1 0 353.400 -0.467 20 0 FBADRM CCc1ccccc1N1C[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC1=O ZINC000766929309 660746477 /nfs/dbraw/zinc/74/64/77/660746477.db2.gz LLWNXTGYHMNIJU-NSHDSACASA-N -1 0 353.400 -0.467 20 0 FBADRM CC(C)=CC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766929317 660746450 /nfs/dbraw/zinc/74/64/50/660746450.db2.gz LRCXPKJKAQKNDH-UHFFFAOYSA-N -1 0 353.400 -0.186 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)CC(N)=O)nnn1-c1ccccc1Cl ZINC000766929401 660746502 /nfs/dbraw/zinc/74/65/02/660746502.db2.gz MYUDZXYYRFBHPU-UHFFFAOYSA-N -1 0 357.779 -0.226 20 0 FBADRM Cc1ccc(C(=O)N[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)C(C)C)cc1 ZINC000766929644 660746458 /nfs/dbraw/zinc/74/64/58/660746458.db2.gz PJEABSRLRDDWOQ-CYBMUJFWSA-N -1 0 355.416 -0.319 20 0 FBADRM Cc1ccc(C(=O)N[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)C(C)C)cc1 ZINC000766929645 660746398 /nfs/dbraw/zinc/74/63/98/660746398.db2.gz PJEABSRLRDDWOQ-ZDUSSCGKSA-N -1 0 355.416 -0.319 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000766929654 660746489 /nfs/dbraw/zinc/74/64/89/660746489.db2.gz PRFWQKIQBFLCEL-UHFFFAOYSA-N -1 0 360.779 -0.586 20 0 FBADRM COc1ccc([C@@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)NC(C)=O)cc1 ZINC000766929659 660746520 /nfs/dbraw/zinc/74/65/20/660746520.db2.gz PTTPDZMUIXEDOY-GFCCVEGCSA-N -1 0 357.388 -0.806 20 0 FBADRM COc1ccc([C@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)NC(C)=O)cc1 ZINC000766929660 660746403 /nfs/dbraw/zinc/74/64/03/660746403.db2.gz PTTPDZMUIXEDOY-LBPRGKRZSA-N -1 0 357.388 -0.806 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCCNC(=O)OCc1ccccc1 ZINC000766929678 660746499 /nfs/dbraw/zinc/74/64/99/660746499.db2.gz RADCPCDXNZNFJN-UHFFFAOYSA-N -1 0 357.388 -0.376 20 0 FBADRM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766929799 660746393 /nfs/dbraw/zinc/74/63/93/660746393.db2.gz RPZOPPDBEKWTJI-MRVPVSSYSA-N -1 0 366.392 -0.833 20 0 FBADRM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766929800 660746483 /nfs/dbraw/zinc/74/64/83/660746483.db2.gz RPZOPPDBEKWTJI-QMMMGPOBSA-N -1 0 366.392 -0.833 20 0 FBADRM Cc1cc(=O)oc2cc(OCC(=O)[N-]S(=O)(=O)CC(N)=O)ccc12 ZINC000766929842 660746510 /nfs/dbraw/zinc/74/65/10/660746510.db2.gz TZJIYAQIBGZSQL-UHFFFAOYSA-N -1 0 354.340 -0.588 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000766929852 660746472 /nfs/dbraw/zinc/74/64/72/660746472.db2.gz UHISXTDMSOLMEN-SSDOTTSWSA-N -1 0 361.326 -0.751 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000766929853 660746389 /nfs/dbraw/zinc/74/63/89/660746389.db2.gz UHISXTDMSOLMEN-ZETCQYMHSA-N -1 0 361.326 -0.751 20 0 FBADRM COCCOc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)nc2ccccc21 ZINC000766930112 660746465 /nfs/dbraw/zinc/74/64/65/660746465.db2.gz WDAFURTVRNVONE-UHFFFAOYSA-N -1 0 367.383 -0.195 20 0 FBADRM Cc1ccc(NC(=O)CS[C@@H](C)C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766930128 660746420 /nfs/dbraw/zinc/74/64/20/660746420.db2.gz WUCAIQZUBNUXBD-JTQLQIEISA-N -1 0 373.456 -0.013 20 0 FBADRM Cc1ccc(NC(=O)CS[C@H](C)C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766930129 660746497 /nfs/dbraw/zinc/74/64/97/660746497.db2.gz WUCAIQZUBNUXBD-SNVBAGLBSA-N -1 0 373.456 -0.013 20 0 FBADRM COc1cc(C(C)=O)ccc1OCCCC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766930138 660746807 /nfs/dbraw/zinc/74/68/07/660746807.db2.gz XGKFJMLOMZRKIS-UHFFFAOYSA-N -1 0 372.399 -0.012 20 0 FBADRM CC(C)c1c(C(=O)[N-]S(=O)(=O)CC(N)=O)cnn1-c1ccccn1 ZINC000766930151 660746803 /nfs/dbraw/zinc/74/68/03/660746803.db2.gz XRBNKUSZNWBJKS-UHFFFAOYSA-N -1 0 351.388 -0.064 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000766930181 660746776 /nfs/dbraw/zinc/74/67/76/660746776.db2.gz YHVDLFMNMTYDDL-CYBMUJFWSA-N -1 0 359.379 -0.870 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000766930182 660746717 /nfs/dbraw/zinc/74/67/17/660746717.db2.gz YHVDLFMNMTYDDL-ZDUSSCGKSA-N -1 0 359.379 -0.870 20 0 FBADRM CN1C(=O)C[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)[C@@H]1c1cccc(Cl)c1 ZINC000766930237 660746781 /nfs/dbraw/zinc/74/67/81/660746781.db2.gz ZUGDAIRLMAFIDC-GWCFXTLKSA-N -1 0 373.818 -0.209 20 0 FBADRM CN1C(=O)C[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)[C@H]1c1cccc(Cl)c1 ZINC000766930238 660746797 /nfs/dbraw/zinc/74/67/97/660746797.db2.gz ZUGDAIRLMAFIDC-GXFFZTMASA-N -1 0 373.818 -0.209 20 0 FBADRM CN1C(=O)C[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)[C@@H]1c1cccc(Cl)c1 ZINC000766930239 660746748 /nfs/dbraw/zinc/74/67/48/660746748.db2.gz ZUGDAIRLMAFIDC-MFKMUULPSA-N -1 0 373.818 -0.209 20 0 FBADRM CN1C(=O)C[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)[C@H]1c1cccc(Cl)c1 ZINC000766930294 660746793 /nfs/dbraw/zinc/74/67/93/660746793.db2.gz ZUGDAIRLMAFIDC-ZWNOBZJWSA-N -1 0 373.818 -0.209 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000766955227 660746708 /nfs/dbraw/zinc/74/67/08/660746708.db2.gz BTZRRUDUFIWKMU-UHFFFAOYSA-N -1 0 369.399 -0.025 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)CCCCOC)C1=O ZINC000766967324 660746796 /nfs/dbraw/zinc/74/67/96/660746796.db2.gz OBXJBIJEMUIPRP-UHFFFAOYSA-N -1 0 363.436 -0.030 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000766967806 660746804 /nfs/dbraw/zinc/74/68/04/660746804.db2.gz PIPCXZMCTXRTDR-LLVKDONJSA-N -1 0 356.466 -0.327 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000766967808 660746799 /nfs/dbraw/zinc/74/67/99/660746799.db2.gz PIPCXZMCTXRTDR-NSHDSACASA-N -1 0 356.466 -0.327 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000766968537 660746790 /nfs/dbraw/zinc/74/67/90/660746790.db2.gz VKFQWXNCGQGWPV-UHFFFAOYSA-N -1 0 363.436 -0.030 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000766970702 660746784 /nfs/dbraw/zinc/74/67/84/660746784.db2.gz XUOCMARGXILTEJ-UHFFFAOYSA-N -1 0 361.420 -0.276 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)Cn1nnc2ccccc2c1=O ZINC000766971188 660747055 /nfs/dbraw/zinc/74/70/55/660747055.db2.gz AYGMIOUPOHFZAA-UHFFFAOYSA-N -1 0 354.388 -0.336 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000766971243 660747080 /nfs/dbraw/zinc/74/70/80/660747080.db2.gz BIKGARURQMVPKY-AWEZNQCLSA-N -1 0 361.420 -0.421 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000766971256 660746936 /nfs/dbraw/zinc/74/69/36/660746936.db2.gz BIKGARURQMVPKY-CQSZACIVSA-N -1 0 361.420 -0.421 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCCCOC)C1 ZINC000766973749 660746991 /nfs/dbraw/zinc/74/69/91/660746991.db2.gz AAJHLGVOTRKLMS-GFCCVEGCSA-N -1 0 370.493 -0.079 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CCCCOC)C1 ZINC000766973750 660746956 /nfs/dbraw/zinc/74/69/56/660746956.db2.gz AAJHLGVOTRKLMS-LBPRGKRZSA-N -1 0 370.493 -0.079 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000766975611 660746942 /nfs/dbraw/zinc/74/69/42/660746942.db2.gz KWIAVMNNUMAXHM-UHFFFAOYSA-N -1 0 367.449 -0.249 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCCS(C)(=O)=O)c1 ZINC000767031726 660746962 /nfs/dbraw/zinc/74/69/62/660746962.db2.gz KJNBLZJEZKOLIY-UHFFFAOYSA-N -1 0 350.418 -0.583 20 0 FBADRM O=C([O-])CN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1CCOCC1 ZINC000767040040 600957550 /nfs/dbraw/zinc/95/75/50/600957550.db2.gz NZBVBAUPLKINKN-UHFFFAOYSA-N -1 0 369.399 -0.424 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000767055305 601607352 /nfs/dbraw/zinc/60/73/52/601607352.db2.gz XOGILFNPQXKNKL-JTQLQIEISA-N -1 0 358.372 -0.010 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000767055306 601607566 /nfs/dbraw/zinc/60/75/66/601607566.db2.gz XOGILFNPQXKNKL-SNVBAGLBSA-N -1 0 358.372 -0.010 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000767057571 601604887 /nfs/dbraw/zinc/60/48/87/601604887.db2.gz DRMQYSWHGGIPOT-ACJLOTCBSA-N -1 0 373.365 -0.308 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000767057572 601604930 /nfs/dbraw/zinc/60/49/30/601604930.db2.gz DRMQYSWHGGIPOT-FZKQIMNGSA-N -1 0 373.365 -0.308 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000767057573 601604940 /nfs/dbraw/zinc/60/49/40/601604940.db2.gz DRMQYSWHGGIPOT-SCLBCKFNSA-N -1 0 373.365 -0.308 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000767057574 601604790 /nfs/dbraw/zinc/60/47/90/601604790.db2.gz DRMQYSWHGGIPOT-UGSOOPFHSA-N -1 0 373.365 -0.308 20 0 FBADRM CN(CC(=O)N1CCOC[C@@H]1C(=O)[O-])C1=NS(=O)(=O)c2ccccc21 ZINC000767059152 601608732 /nfs/dbraw/zinc/60/87/32/601608732.db2.gz ZFBRBKAFBRMMSG-LLVKDONJSA-N -1 0 367.383 -0.621 20 0 FBADRM CN(CC(=O)N1CCOC[C@H]1C(=O)[O-])C1=NS(=O)(=O)c2ccccc21 ZINC000767059153 601608649 /nfs/dbraw/zinc/60/86/49/601608649.db2.gz ZFBRBKAFBRMMSG-NSHDSACASA-N -1 0 367.383 -0.621 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000767150422 660747998 /nfs/dbraw/zinc/74/79/98/660747998.db2.gz VFCXSICJOLJZGR-UHFFFAOYSA-N -1 0 356.383 -0.800 20 0 FBADRM C[C@@H](CO[N-]C(=O)CN1CCCS1(=O)=O)NC(=O)OC(C)(C)C ZINC000767178841 660748158 /nfs/dbraw/zinc/74/81/58/660748158.db2.gz ZBAJZGKXUHBJEK-JTQLQIEISA-N -1 0 351.425 -0.017 20 0 FBADRM C[C@H](CO[N-]C(=O)CN1CCCS1(=O)=O)NC(=O)OC(C)(C)C ZINC000767178842 660748104 /nfs/dbraw/zinc/74/81/04/660748104.db2.gz ZBAJZGKXUHBJEK-SNVBAGLBSA-N -1 0 351.425 -0.017 20 0 FBADRM CCS(=O)(=O)NCC(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000767394405 660749486 /nfs/dbraw/zinc/74/94/86/660749486.db2.gz BERHXDWNMBFPBW-UHFFFAOYSA-N -1 0 361.401 -0.509 20 0 FBADRM CS(=O)(=O)c1csc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c1 ZINC000767457145 660749735 /nfs/dbraw/zinc/74/97/35/660749735.db2.gz HQUAIGUZXMQSIK-UHFFFAOYSA-N -1 0 354.431 -0.542 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000767467510 660749701 /nfs/dbraw/zinc/74/97/01/660749701.db2.gz NSYGVWJNRMLCFI-UHFFFAOYSA-N -1 0 356.447 -0.296 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000767471796 660750161 /nfs/dbraw/zinc/75/01/61/660750161.db2.gz WTMBZUCDSYRWSR-UHFFFAOYSA-N -1 0 371.458 -0.126 20 0 FBADRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)CCN2CCCS2(=O)=O)c1 ZINC000767495708 660750079 /nfs/dbraw/zinc/75/00/79/660750079.db2.gz JFXKHWXEGBOMRQ-UHFFFAOYSA-N -1 0 364.449 -0.306 20 0 FBADRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)CCCN2C(=O)CNC2=O)c1 ZINC000767495797 660750022 /nfs/dbraw/zinc/75/00/22/660750022.db2.gz MATROHPCWCAZAL-UHFFFAOYSA-N -1 0 357.392 -0.399 20 0 FBADRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2S(C)(=O)=O)c1 ZINC000767496578 660750115 /nfs/dbraw/zinc/75/01/15/660750115.db2.gz QGCRUEMLDHGRHX-JTQLQIEISA-N -1 0 364.449 -0.307 20 0 FBADRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2S(C)(=O)=O)c1 ZINC000767496583 660750044 /nfs/dbraw/zinc/75/00/44/660750044.db2.gz QGCRUEMLDHGRHX-SNVBAGLBSA-N -1 0 364.449 -0.307 20 0 FBADRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2cn(CC(=O)N(C)C)nn2)c1 ZINC000767497231 660750155 /nfs/dbraw/zinc/75/01/55/660750155.db2.gz VMAIRZLLWGOTRG-UHFFFAOYSA-N -1 0 369.407 -0.738 20 0 FBADRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)CN2CCCS2(=O)=O)c1 ZINC000767499821 660749998 /nfs/dbraw/zinc/74/99/98/660749998.db2.gz WYVQCDFXPLMDGI-UHFFFAOYSA-N -1 0 350.422 -0.696 20 0 FBADRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)CCC(=O)N2CCOCC2)c1 ZINC000767503552 660750048 /nfs/dbraw/zinc/75/00/48/660750048.db2.gz ZTUWLTACVRKWGS-UHFFFAOYSA-N -1 0 358.420 -0.092 20 0 FBADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)c1cn(CC(N)=O)nn1 ZINC000767555640 660750628 /nfs/dbraw/zinc/75/06/28/660750628.db2.gz UUAUUIUQEGLQAY-UHFFFAOYSA-N -1 0 357.779 -0.156 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cnc(Cl)c(OC)c2)n1 ZINC000767698393 660752147 /nfs/dbraw/zinc/75/21/47/660752147.db2.gz YNHGZZPNNFPQRB-UHFFFAOYSA-N -1 0 360.783 -0.118 20 0 FBADRM CCn1c2ccc(S(=O)(=O)[N-]N3CC(=O)N(C)C3=O)cc2oc1=O ZINC000767834563 660752830 /nfs/dbraw/zinc/75/28/30/660752830.db2.gz AWGLPNHAJUAZSH-UHFFFAOYSA-N -1 0 354.344 -0.298 20 0 FBADRM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c1F ZINC000767835604 660752846 /nfs/dbraw/zinc/75/28/46/660752846.db2.gz DWEYOWXNFOEYTG-UHFFFAOYSA-N -1 0 363.298 -0.161 20 0 FBADRM CN1C(=O)CN([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)C1=O ZINC000767838733 660752954 /nfs/dbraw/zinc/75/29/54/660752954.db2.gz QMVNOMYXZKKMAI-UHFFFAOYSA-N -1 0 364.383 -0.391 20 0 FBADRM CN1C(=O)CN([N-]S(=O)(=O)c2ccc(C3(C)OCCO3)cc2)C1=O ZINC000767840476 660753271 /nfs/dbraw/zinc/75/32/71/660753271.db2.gz YYQOCGGPZDETSO-UHFFFAOYSA-N -1 0 355.372 -0.007 20 0 FBADRM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O ZINC000767841676 660753191 /nfs/dbraw/zinc/75/31/91/660753191.db2.gz BTEJMRSKKLLPTI-UHFFFAOYSA-N -1 0 356.360 -0.259 20 0 FBADRM CN1C(=O)CN([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C1=O ZINC000767841726 660753121 /nfs/dbraw/zinc/75/31/21/660753121.db2.gz CQFYNZWFGJHQGA-UHFFFAOYSA-N -1 0 352.372 -0.334 20 0 FBADRM Cc1nn2cc(S(=O)(=O)[N-]N3CC(=O)N(C)C3=O)cnc2c1Cl ZINC000767843027 660753107 /nfs/dbraw/zinc/75/31/07/660753107.db2.gz KFGFCFFYNFMFNM-UHFFFAOYSA-N -1 0 358.767 -0.222 20 0 FBADRM COC(=O)C=Cc1ccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)cc1 ZINC000767843142 660753188 /nfs/dbraw/zinc/75/31/88/660753188.db2.gz KNBOJXUZNGNCJO-VMPITWQZSA-N -1 0 353.356 -0.040 20 0 FBADRM COC(=O)C=Cc1ccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)cc1 ZINC000767843167 660753274 /nfs/dbraw/zinc/75/32/74/660753274.db2.gz KNBOJXUZNGNCJO-YVMONPNESA-N -1 0 353.356 -0.040 20 0 FBADRM COC(=O)CCOc1ccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)cc1 ZINC000767843482 660753219 /nfs/dbraw/zinc/75/32/19/660753219.db2.gz MVEVETRKWSTIHA-UHFFFAOYSA-N -1 0 371.371 -0.284 20 0 FBADRM COc1ccccc1-n1cc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)cn1 ZINC000767843915 660753165 /nfs/dbraw/zinc/75/31/65/660753165.db2.gz NUTYMXPZTLNDFT-UHFFFAOYSA-N -1 0 365.371 -0.032 20 0 FBADRM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c1C ZINC000767843940 660753103 /nfs/dbraw/zinc/75/31/03/660753103.db2.gz OCOUYDBASXVSLZ-UHFFFAOYSA-N -1 0 358.376 -0.104 20 0 FBADRM CN1C(=O)CN([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)C1=O ZINC000767843950 660753169 /nfs/dbraw/zinc/75/31/69/660753169.db2.gz OXLUUPFVIKHUCA-UHFFFAOYSA-N -1 0 356.335 -0.202 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)ccc1OC ZINC000767844056 660753259 /nfs/dbraw/zinc/75/32/59/660753259.db2.gz RHIGLNMKGSFLNG-UHFFFAOYSA-N -1 0 357.344 -0.431 20 0 FBADRM COC(=O)COc1ccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)cc1 ZINC000767844154 660753071 /nfs/dbraw/zinc/75/30/71/660753071.db2.gz SDTIWHUEISKWRS-UHFFFAOYSA-N -1 0 357.344 -0.674 20 0 FBADRM Cc1c(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)cnn1-c1ccccn1 ZINC000767844449 660753240 /nfs/dbraw/zinc/75/32/40/660753240.db2.gz SWXZGLSTYBRMNI-UHFFFAOYSA-N -1 0 350.360 -0.337 20 0 FBADRM CCN=c1nc2[n-]nc(SCC(=O)NC3(CO)CC3)n2c(NCC)n1 ZINC000767858660 660753312 /nfs/dbraw/zinc/75/33/12/660753312.db2.gz VPBVDDPCBLCKCM-UHFFFAOYSA-N -1 0 366.451 -0.462 20 0 FBADRM CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000767940016 660753986 /nfs/dbraw/zinc/75/39/86/660753986.db2.gz KYYKIGWKCLCREJ-UHFFFAOYSA-N -1 0 364.445 -0.193 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC(n3cncn3)C2)c1 ZINC000767943428 660753936 /nfs/dbraw/zinc/75/39/36/660753936.db2.gz XVDILBJEWFDHIU-UHFFFAOYSA-N -1 0 351.388 -0.069 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N(C)CCS(C)(=O)=O)c1 ZINC000767944407 660753906 /nfs/dbraw/zinc/75/39/06/660753906.db2.gz UTAJXIZZOPEOKP-UHFFFAOYSA-N -1 0 364.445 -0.241 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCC2N=NC(=S)N2C)c1 ZINC000767961484 660754030 /nfs/dbraw/zinc/75/40/30/660754030.db2.gz ZVVOQZSXMMKLHC-UHFFFAOYSA-N -1 0 371.444 -0.010 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cc(OC(F)F)n(C)n1 ZINC000768003235 660754458 /nfs/dbraw/zinc/75/44/58/660754458.db2.gz ZPUATFDSQSSOQJ-UHFFFAOYSA-N -1 0 357.335 -0.256 20 0 FBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000768007733 660754426 /nfs/dbraw/zinc/75/44/26/660754426.db2.gz FOEKCFJFBGHJQP-LURJTMIESA-N -1 0 350.374 -0.066 20 0 FBADRM COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000768007734 660754463 /nfs/dbraw/zinc/75/44/63/660754463.db2.gz FOEKCFJFBGHJQP-ZCFIWIBFSA-N -1 0 350.374 -0.066 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000768008173 660754413 /nfs/dbraw/zinc/75/44/13/660754413.db2.gz KBKPEFSMXFSBBG-MRVPVSSYSA-N -1 0 363.417 -0.545 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000768008176 660754449 /nfs/dbraw/zinc/75/44/49/660754449.db2.gz KBKPEFSMXFSBBG-QMMMGPOBSA-N -1 0 363.417 -0.545 20 0 FBADRM COCc1c(C(=O)[N-]S(=O)(=O)CC(N)=O)cnn1-c1ccccc1 ZINC000768013730 660754496 /nfs/dbraw/zinc/75/44/96/660754496.db2.gz PUMUMXLAOQEYBD-UHFFFAOYSA-N -1 0 352.372 -0.436 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000768014296 660754392 /nfs/dbraw/zinc/75/43/92/660754392.db2.gz UTOMBXXZPHWFID-UHFFFAOYSA-N -1 0 367.383 -0.535 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)c1cnc(OC)nc1 ZINC000768018827 660754421 /nfs/dbraw/zinc/75/44/21/660754421.db2.gz TXMHMAWPYHDUIG-UHFFFAOYSA-N -1 0 358.357 -0.153 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000768024789 660754474 /nfs/dbraw/zinc/75/44/74/660754474.db2.gz DCQPDNRIHNQLFY-SSDOTTSWSA-N -1 0 373.412 -0.255 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000768024790 660754494 /nfs/dbraw/zinc/75/44/94/660754494.db2.gz DCQPDNRIHNQLFY-ZETCQYMHSA-N -1 0 373.412 -0.255 20 0 FBADRM COCCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)OC(C)(C)C ZINC000768033983 660754292 /nfs/dbraw/zinc/75/42/92/660754292.db2.gz IUOVTMCBLDCPOA-UHFFFAOYSA-N -1 0 357.367 -0.104 20 0 FBADRM CN(CCO)C(=O)NCCN=c1ncnc2n(C)[n-]c(Br)c1-2 ZINC000768069450 660754727 /nfs/dbraw/zinc/75/47/27/660754727.db2.gz KDAKKYHRQGKECK-UHFFFAOYSA-N -1 0 372.227 -0.455 20 0 FBADRM Cn1c([O-])c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c(=O)n(C)c1=O ZINC000768126141 660754698 /nfs/dbraw/zinc/75/46/98/660754698.db2.gz MDOYNMKINUEXFN-UHFFFAOYSA-N -1 0 353.356 -0.305 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1cccs1 ZINC000768207736 660755033 /nfs/dbraw/zinc/75/50/33/660755033.db2.gz DPJIHUJCKIDETJ-JTQLQIEISA-N -1 0 364.445 -0.025 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000768207737 660754946 /nfs/dbraw/zinc/75/49/46/660754946.db2.gz DPJIHUJCKIDETJ-SNVBAGLBSA-N -1 0 364.445 -0.025 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cn(-c2ccccc2)nn1 ZINC000768208548 660754937 /nfs/dbraw/zinc/75/49/37/660754937.db2.gz DZOOGLSRIBAYQC-UHFFFAOYSA-N -1 0 354.388 -0.010 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)cc1 ZINC000768208615 660755089 /nfs/dbraw/zinc/75/50/89/660755089.db2.gz FSGMBCSPPZUYGU-UHFFFAOYSA-N -1 0 360.388 -0.727 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccnc(-n2cccn2)c1 ZINC000768208619 660755020 /nfs/dbraw/zinc/75/50/20/660755020.db2.gz FSYATTMMJOZHJG-UHFFFAOYSA-N -1 0 354.388 -0.010 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)CN(C)C(=O)OC(C)(C)C ZINC000768209715 660755071 /nfs/dbraw/zinc/75/50/71/660755071.db2.gz ALCAHWFBJKUIEV-UHFFFAOYSA-N -1 0 354.425 -0.038 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)c(C)c1 ZINC000768209766 660755043 /nfs/dbraw/zinc/75/50/43/660755043.db2.gz AXWNPUKVOQAYNB-UHFFFAOYSA-N -1 0 369.403 -0.307 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000768209771 660755059 /nfs/dbraw/zinc/75/50/59/660755059.db2.gz JEFUAVXWNIVDHN-UHFFFAOYSA-N -1 0 357.450 -0.690 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)CSc1nnnn1C1CC1 ZINC000768209779 660754963 /nfs/dbraw/zinc/75/49/63/660754963.db2.gz BGCZHIJMPWTLER-UHFFFAOYSA-N -1 0 365.437 -0.791 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)CN1C(=O)COc2ccccc21 ZINC000768209805 660755013 /nfs/dbraw/zinc/75/50/13/660755013.db2.gz BMIKTTOKXRHIDS-UHFFFAOYSA-N -1 0 372.399 -0.479 20 0 FBADRM CCC(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CCOCCOC ZINC000768209839 660754954 /nfs/dbraw/zinc/75/49/54/660754954.db2.gz KKIHRASCTLYQTA-GFCCVEGCSA-N -1 0 350.437 -0.114 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000768209840 660754994 /nfs/dbraw/zinc/75/49/94/660754994.db2.gz BWCBZDJJUJLQKX-UHFFFAOYSA-N -1 0 370.383 -0.365 20 0 FBADRM CCC(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CCOCCOC ZINC000768209842 660755041 /nfs/dbraw/zinc/75/50/41/660755041.db2.gz KKIHRASCTLYQTA-LBPRGKRZSA-N -1 0 350.437 -0.114 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)Cn1c(C)c(C)sc1=O ZINC000768209923 660754972 /nfs/dbraw/zinc/75/49/72/660754972.db2.gz LKDVVIJIBVUFCQ-UHFFFAOYSA-N -1 0 352.434 -0.364 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)Cn1c(=O)cnc2ccccc21 ZINC000768209935 660755036 /nfs/dbraw/zinc/75/50/36/660755036.db2.gz CSCWIFZSVRIVMI-UHFFFAOYSA-N -1 0 369.399 -0.495 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccsc1 ZINC000768209985 660755017 /nfs/dbraw/zinc/75/50/17/660755017.db2.gz MFVQDJYKYHIOLO-UHFFFAOYSA-N -1 0 364.445 -0.023 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000768210194 660754977 /nfs/dbraw/zinc/75/49/77/660754977.db2.gz BCJFZAJEERRNQH-UHFFFAOYSA-N -1 0 369.399 -0.344 20 0 FBADRM CNC(=O)c1cncc(/C=C\C(=O)[N-]S(=O)(=O)CCOCCOC)c1 ZINC000768210566 660755023 /nfs/dbraw/zinc/75/50/23/660755023.db2.gz ODLHKAJZRUFBDZ-ARJAWSKDSA-N -1 0 371.415 -0.437 20 0 FBADRM CNC(=O)c1cncc(/C=C/C(=O)[N-]S(=O)(=O)CCOCCOC)c1 ZINC000768210567 660755051 /nfs/dbraw/zinc/75/50/51/660755051.db2.gz ODLHKAJZRUFBDZ-ONEGZZNKSA-N -1 0 371.415 -0.437 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)CNC(=O)Nc1ccccc1 ZINC000768210656 660755056 /nfs/dbraw/zinc/75/50/56/660755056.db2.gz CMOYFPDNAYRCHH-UHFFFAOYSA-N -1 0 359.404 -0.083 20 0 FBADRM CCC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCOCCOC)C1 ZINC000768210799 660755083 /nfs/dbraw/zinc/75/50/83/660755083.db2.gz DNITXNSKDRZNPF-GFCCVEGCSA-N -1 0 350.437 -0.256 20 0 FBADRM CCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CCOCCOC)C1 ZINC000768210803 660755025 /nfs/dbraw/zinc/75/50/25/660755025.db2.gz DNITXNSKDRZNPF-LBPRGKRZSA-N -1 0 350.437 -0.256 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000768211005 660755030 /nfs/dbraw/zinc/75/50/30/660755030.db2.gz PZDNVHXWSDPXKP-UHFFFAOYSA-N -1 0 365.429 -0.187 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(=O)n(CCOC)c1 ZINC000768211216 660755078 /nfs/dbraw/zinc/75/50/78/660755078.db2.gz HLCHXQZPOXOQLP-UHFFFAOYSA-N -1 0 362.404 -0.783 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccccc1OCC(N)=O ZINC000768211383 660755003 /nfs/dbraw/zinc/75/50/03/660755003.db2.gz JKMSMRWKXVTCPY-UHFFFAOYSA-N -1 0 360.388 -0.727 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000768211431 660755085 /nfs/dbraw/zinc/75/50/85/660755085.db2.gz FIEFLJVEWKXDQX-CYBMUJFWSA-N -1 0 362.448 -0.256 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000768211432 660755048 /nfs/dbraw/zinc/75/50/48/660755048.db2.gz FIEFLJVEWKXDQX-ZDUSSCGKSA-N -1 0 362.448 -0.256 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cccc(-n2cccn2)n1 ZINC000768211595 660754928 /nfs/dbraw/zinc/75/49/28/660754928.db2.gz RMIUIRPQQHFHBS-UHFFFAOYSA-N -1 0 354.388 -0.010 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cccc(-n2cnnn2)c1 ZINC000768211844 660755037 /nfs/dbraw/zinc/75/50/37/660755037.db2.gz VVVMOCMGZSDQNK-UHFFFAOYSA-N -1 0 355.376 -0.615 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000768212287 660754966 /nfs/dbraw/zinc/75/49/66/660754966.db2.gz LOHNJRUTCWFYFM-UHFFFAOYSA-N -1 0 358.372 -0.260 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000768212290 660754982 /nfs/dbraw/zinc/75/49/82/660754982.db2.gz LPOMTOCULMRMLS-UHFFFAOYSA-N -1 0 371.415 -0.061 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000768212302 660755068 /nfs/dbraw/zinc/75/50/68/660755068.db2.gz LYZBEBOWOBRBGO-UHFFFAOYSA-N -1 0 358.372 -0.260 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000768212401 660754949 /nfs/dbraw/zinc/75/49/49/660754949.db2.gz WEMCNGIIWVDSAO-GFCCVEGCSA-N -1 0 350.437 -0.258 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000768212412 660754959 /nfs/dbraw/zinc/75/49/59/660754959.db2.gz WEMCNGIIWVDSAO-LBPRGKRZSA-N -1 0 350.437 -0.258 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C1CCCC1 ZINC000768212588 660755333 /nfs/dbraw/zinc/75/53/33/660755333.db2.gz XXYJAJDJSGBGMV-LLVKDONJSA-N -1 0 350.437 -0.210 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C1CCCC1 ZINC000768212598 660755310 /nfs/dbraw/zinc/75/53/10/660755310.db2.gz XXYJAJDJSGBGMV-NSHDSACASA-N -1 0 350.437 -0.210 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000768212645 660755303 /nfs/dbraw/zinc/75/53/03/660755303.db2.gz YZMDOIKVEONBFH-GFCCVEGCSA-N -1 0 362.448 -0.114 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000768212646 660755267 /nfs/dbraw/zinc/75/52/67/660755267.db2.gz YZMDOIKVEONBFH-LBPRGKRZSA-N -1 0 362.448 -0.114 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cnn(C)c1-n1cccc1 ZINC000768212730 660755327 /nfs/dbraw/zinc/75/53/27/660755327.db2.gz NNGAUWJNFFNRNP-UHFFFAOYSA-N -1 0 356.404 -0.067 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@]12CCC(=O)N1CCS2 ZINC000768212829 660755304 /nfs/dbraw/zinc/75/53/04/660755304.db2.gz ZLPCJJSKPNMJML-GFCCVEGCSA-N -1 0 352.434 -0.839 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@]12CCC(=O)N1CCS2 ZINC000768212832 660755313 /nfs/dbraw/zinc/75/53/13/660755313.db2.gz ZLPCJJSKPNMJML-LBPRGKRZSA-N -1 0 352.434 -0.839 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)CCn1c(C)csc1=O ZINC000768212840 660755292 /nfs/dbraw/zinc/75/52/92/660755292.db2.gz NQQHALJTVFBNQN-UHFFFAOYSA-N -1 0 352.434 -0.283 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)CN1CCCCCCC1=O ZINC000768212868 660755245 /nfs/dbraw/zinc/75/52/45/660755245.db2.gz ZYNHHFCJNCFHHP-UHFFFAOYSA-N -1 0 350.437 -0.112 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000768212887 660755324 /nfs/dbraw/zinc/75/53/24/660755324.db2.gz PJPALYJZSPSJSI-GWCFXTLKSA-N -1 0 366.461 -0.451 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000768212890 660755329 /nfs/dbraw/zinc/75/53/29/660755329.db2.gz PJPALYJZSPSJSI-GXFFZTMASA-N -1 0 366.461 -0.451 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000768212891 660755295 /nfs/dbraw/zinc/75/52/95/660755295.db2.gz PJPALYJZSPSJSI-MFKMUULPSA-N -1 0 366.461 -0.451 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000768212892 660755256 /nfs/dbraw/zinc/75/52/56/660755256.db2.gz PJPALYJZSPSJSI-ZWNOBZJWSA-N -1 0 366.461 -0.451 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccs1 ZINC000768212922 660755339 /nfs/dbraw/zinc/75/53/39/660755339.db2.gz PWBVLPCCUZELAS-UHFFFAOYSA-N -1 0 364.445 -0.023 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000768213230 660755296 /nfs/dbraw/zinc/75/52/96/660755296.db2.gz QTFKQVUQGSSUJM-LLVKDONJSA-N -1 0 350.437 -0.258 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000768213232 660755311 /nfs/dbraw/zinc/75/53/11/660755311.db2.gz QTFKQVUQGSSUJM-NSHDSACASA-N -1 0 350.437 -0.258 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cccc(OCC(N)=O)c1 ZINC000768213239 660755259 /nfs/dbraw/zinc/75/52/59/660755259.db2.gz QXPITASHTKMBFS-UHFFFAOYSA-N -1 0 360.388 -0.727 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)CN1Cc2ccccc2C1=O ZINC000768213261 660755283 /nfs/dbraw/zinc/75/52/83/660755283.db2.gz SBWSYWIAIXTFDZ-UHFFFAOYSA-N -1 0 356.400 -0.249 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)COc1ccc(C(N)=O)cc1 ZINC000768213404 660755299 /nfs/dbraw/zinc/75/52/99/660755299.db2.gz QQBGTTRJHSBODG-UHFFFAOYSA-N -1 0 360.388 -0.727 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)nc1 ZINC000768213510 660755302 /nfs/dbraw/zinc/75/53/02/660755302.db2.gz UKNRGBJYMWLPEJ-UHFFFAOYSA-N -1 0 373.431 -0.359 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O ZINC000768213527 660755321 /nfs/dbraw/zinc/75/53/21/660755321.db2.gz UZVUTVHVUMXMFP-UHFFFAOYSA-N -1 0 350.393 -0.975 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(CNC(N)=O)cc1 ZINC000768213545 660755262 /nfs/dbraw/zinc/75/52/62/660755262.db2.gz VQYMFHOJVRHZIP-UHFFFAOYSA-N -1 0 359.404 -0.423 20 0 FBADRM CCOC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCOCCOC)C1 ZINC000768213785 660755307 /nfs/dbraw/zinc/75/53/07/660755307.db2.gz WUQFCKNEWCRQQE-GFCCVEGCSA-N -1 0 366.436 -0.036 20 0 FBADRM CCOC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CCOCCOC)C1 ZINC000768213787 660755300 /nfs/dbraw/zinc/75/53/00/660755300.db2.gz WUQFCKNEWCRQQE-LBPRGKRZSA-N -1 0 366.436 -0.036 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)CCS(=O)(=O)C1CCCC1 ZINC000768213791 660755319 /nfs/dbraw/zinc/75/53/19/660755319.db2.gz WYLWJSKBPZNIKA-UHFFFAOYSA-N -1 0 371.477 -0.157 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1 ZINC000768213816 660755288 /nfs/dbraw/zinc/75/52/88/660755288.db2.gz XOFMGTCSRIHIQC-UHFFFAOYSA-N -1 0 355.376 -0.615 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)C[C@@H](NC(N)=O)c1ccccc1 ZINC000768213829 660755297 /nfs/dbraw/zinc/75/52/97/660755297.db2.gz XWYBDOTZXAAHLS-CYBMUJFWSA-N -1 0 373.431 -0.105 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)C[C@H](NC(N)=O)c1ccccc1 ZINC000768213833 660755271 /nfs/dbraw/zinc/75/52/71/660755271.db2.gz XWYBDOTZXAAHLS-ZDUSSCGKSA-N -1 0 373.431 -0.105 20 0 FBADRM CCOC(=O)N1CCC(C(=O)[N-]S(=O)(=O)CCOCCOC)CC1 ZINC000768213937 660755301 /nfs/dbraw/zinc/75/53/01/660755301.db2.gz ZKXMWGGYRGAJER-UHFFFAOYSA-N -1 0 366.436 -0.036 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)n1 ZINC000768214163 660755315 /nfs/dbraw/zinc/75/53/15/660755315.db2.gz ZQBLOQCKOITHKZ-UHFFFAOYSA-N -1 0 368.415 -0.081 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000768215592 660755336 /nfs/dbraw/zinc/75/53/36/660755336.db2.gz DHDGNHDJKCLBLN-UHFFFAOYSA-N -1 0 361.420 -0.070 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000768215976 660755286 /nfs/dbraw/zinc/75/52/86/660755286.db2.gz FLZORZNXJXPTQC-GFCCVEGCSA-N -1 0 358.416 -0.086 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000768215981 660755293 /nfs/dbraw/zinc/75/52/93/660755293.db2.gz FLZORZNXJXPTQC-LBPRGKRZSA-N -1 0 358.416 -0.086 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(C)nn2C ZINC000768217391 660755251 /nfs/dbraw/zinc/75/52/51/660755251.db2.gz QCZPUUKJQUMDJI-UHFFFAOYSA-N -1 0 356.404 -0.001 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1csc(NC(C)=O)n1 ZINC000768217558 660755273 /nfs/dbraw/zinc/75/52/73/660755273.db2.gz ALUZNAOSSSKALH-UHFFFAOYSA-N -1 0 351.406 -0.176 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)CN(C)C(=O)c1cccs1 ZINC000768217629 660755343 /nfs/dbraw/zinc/75/53/43/660755343.db2.gz BSQHGVONDRRZCK-UHFFFAOYSA-N -1 0 364.445 -0.071 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)Cn1c2ccccc2n(C)c1=O ZINC000768217810 660755317 /nfs/dbraw/zinc/75/53/17/660755317.db2.gz VTINUJXIBGMJMO-UHFFFAOYSA-N -1 0 371.415 -0.551 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000768218176 660755598 /nfs/dbraw/zinc/75/55/98/660755598.db2.gz ZJQDRQCAWVCIGT-UHFFFAOYSA-N -1 0 369.403 -0.686 20 0 FBADRM CCCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)CCOCCOC ZINC000768218183 660755498 /nfs/dbraw/zinc/75/54/98/660755498.db2.gz ZNQIOWZUNDMGMS-GFCCVEGCSA-N -1 0 350.437 -0.114 20 0 FBADRM CCCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)CCOCCOC ZINC000768218184 660755535 /nfs/dbraw/zinc/75/55/35/660755535.db2.gz ZNQIOWZUNDMGMS-LBPRGKRZSA-N -1 0 350.437 -0.114 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N1CCCC1=O ZINC000768218229 660755602 /nfs/dbraw/zinc/75/56/02/660755602.db2.gz FOTIECBUVKQCIR-CYBMUJFWSA-N -1 0 350.437 -0.258 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H](C(C)C)N1CCCC1=O ZINC000768218230 660755573 /nfs/dbraw/zinc/75/55/73/660755573.db2.gz FOTIECBUVKQCIR-ZDUSSCGKSA-N -1 0 350.437 -0.258 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cncn2)cc1 ZINC000768218237 660755569 /nfs/dbraw/zinc/75/55/69/660755569.db2.gz GCULMKNFXPHZCH-UHFFFAOYSA-N -1 0 354.388 -0.010 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000768218309 660755466 /nfs/dbraw/zinc/75/54/66/660755466.db2.gz HTWIRPWIXRXFBD-CYBMUJFWSA-N -1 0 357.384 -0.123 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000768218310 660755472 /nfs/dbraw/zinc/75/54/72/660755472.db2.gz HTWIRPWIXRXFBD-ZDUSSCGKSA-N -1 0 357.384 -0.123 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000768218794 660755579 /nfs/dbraw/zinc/75/55/79/660755579.db2.gz IDAQNSXVJMHDEY-GFCCVEGCSA-N -1 0 374.415 -0.263 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000768218795 660755458 /nfs/dbraw/zinc/75/54/58/660755458.db2.gz IDAQNSXVJMHDEY-LBPRGKRZSA-N -1 0 374.415 -0.263 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)Cn1cc(Br)cn1 ZINC000768220307 660755503 /nfs/dbraw/zinc/75/55/03/660755503.db2.gz QPUMQCFDNWTNOO-UHFFFAOYSA-N -1 0 370.225 -0.245 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000768220655 660755663 /nfs/dbraw/zinc/75/56/63/660755663.db2.gz VEZZMBVBVMVJOY-CYBMUJFWSA-N -1 0 372.399 -0.115 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000768220664 660755614 /nfs/dbraw/zinc/75/56/14/660755614.db2.gz VEZZMBVBVMVJOY-ZDUSSCGKSA-N -1 0 372.399 -0.115 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000768221259 660755564 /nfs/dbraw/zinc/75/55/64/660755564.db2.gz YOGCLNNRMSXMHT-UHFFFAOYSA-N -1 0 373.431 -0.027 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnc2)cc1 ZINC000768221291 660755619 /nfs/dbraw/zinc/75/56/19/660755619.db2.gz YYYPDLUCCAHARI-UHFFFAOYSA-N -1 0 354.388 -0.010 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cccc(-n2cncn2)c1 ZINC000768221294 660755538 /nfs/dbraw/zinc/75/55/38/660755538.db2.gz YZGGWJQMPWRDBQ-UHFFFAOYSA-N -1 0 354.388 -0.010 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cnn(-c2ccccc2)n1 ZINC000768225424 660755520 /nfs/dbraw/zinc/75/55/20/660755520.db2.gz DSZZTOOFTBZTAT-UHFFFAOYSA-N -1 0 354.388 -0.010 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C1CCCC1 ZINC000768229689 660755441 /nfs/dbraw/zinc/75/54/41/660755441.db2.gz ODAOCMRUICIBRW-CYBMUJFWSA-N -1 0 350.437 -0.210 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H](NC(C)=O)C1CCCC1 ZINC000768229692 660755640 /nfs/dbraw/zinc/75/56/40/660755640.db2.gz ODAOCMRUICIBRW-ZDUSSCGKSA-N -1 0 350.437 -0.210 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1sccc1-n1cnnn1 ZINC000768229729 660755552 /nfs/dbraw/zinc/75/55/52/660755552.db2.gz OMZNPIBPSIXPJR-UHFFFAOYSA-N -1 0 361.405 -0.554 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC000768230008 660755545 /nfs/dbraw/zinc/75/55/45/660755545.db2.gz RLGHGBBWSYMRRV-GFCCVEGCSA-N -1 0 350.437 -0.400 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC000768230011 660755561 /nfs/dbraw/zinc/75/55/61/660755561.db2.gz RLGHGBBWSYMRRV-LBPRGKRZSA-N -1 0 350.437 -0.400 20 0 FBADRM COC(=O)N1CC(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C1 ZINC000768298235 660755903 /nfs/dbraw/zinc/75/59/03/660755903.db2.gz NRVBBIFNTRFXJO-UHFFFAOYSA-N -1 0 357.388 -0.177 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCOC[C@H]2CCO)c1 ZINC000768323036 660755862 /nfs/dbraw/zinc/75/58/62/660755862.db2.gz SFEWPADIBYTDLT-LLVKDONJSA-N -1 0 358.416 -0.134 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCOC[C@@H]2CCO)c1 ZINC000768323041 660755868 /nfs/dbraw/zinc/75/58/68/660755868.db2.gz SFEWPADIBYTDLT-NSHDSACASA-N -1 0 358.416 -0.134 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NN2CC(=O)N(C)C2=O)c1 ZINC000768380740 660756212 /nfs/dbraw/zinc/75/62/12/660756212.db2.gz WQKYRNPGUAVOBQ-UHFFFAOYSA-N -1 0 356.360 -0.819 20 0 FBADRM CS(=O)(=O)Nc1ccc(N2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)cc1 ZINC000768536291 660757000 /nfs/dbraw/zinc/75/70/00/660757000.db2.gz HORNBNXHGLLBKE-UHFFFAOYSA-N -1 0 366.403 -0.156 20 0 FBADRM CS(=O)(=O)Nc1ccc(N2CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)cc1 ZINC000768537166 660756901 /nfs/dbraw/zinc/75/69/01/660756901.db2.gz OWYJPSOPAMHMSM-UHFFFAOYSA-N -1 0 365.415 -0.417 20 0 FBADRM C[C@H](CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)S(N)(=O)=O ZINC000768595158 660757421 /nfs/dbraw/zinc/75/74/21/660757421.db2.gz FMYJJFHIRSCMPI-MRVPVSSYSA-N -1 0 356.429 -0.522 20 0 FBADRM C[C@@H](CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)S(N)(=O)=O ZINC000768595159 660757318 /nfs/dbraw/zinc/75/73/18/660757318.db2.gz FMYJJFHIRSCMPI-QMMMGPOBSA-N -1 0 356.429 -0.522 20 0 FBADRM C[C@H](CNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)S(N)(=O)=O ZINC000768597313 660757779 /nfs/dbraw/zinc/75/77/79/660757779.db2.gz RNUPGUHPSFGKBX-SECBINFHSA-N -1 0 370.456 -0.132 20 0 FBADRM C[C@@H](CNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)S(N)(=O)=O ZINC000768597314 660757759 /nfs/dbraw/zinc/75/77/59/660757759.db2.gz RNUPGUHPSFGKBX-VIFPVBQESA-N -1 0 370.456 -0.132 20 0 FBADRM CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000768735171 660758418 /nfs/dbraw/zinc/75/84/18/660758418.db2.gz PVQTXSWHSGGZRV-HNNXBMFYSA-N -1 0 351.363 -0.720 20 0 FBADRM CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000768735188 660758480 /nfs/dbraw/zinc/75/84/80/660758480.db2.gz PVQTXSWHSGGZRV-OAHLLOKOSA-N -1 0 351.363 -0.720 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CNC(=O)c2ccccc2)cc1C(N)=O ZINC000768757305 660758446 /nfs/dbraw/zinc/75/84/46/660758446.db2.gz UBHTUJMSELCSAX-UHFFFAOYSA-N -1 0 364.383 -0.641 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ncn(-c2ccccc2)n1 ZINC000768807928 660758751 /nfs/dbraw/zinc/75/87/51/660758751.db2.gz WPORWQVJAALNTK-UHFFFAOYSA-N -1 0 354.388 -0.010 20 0 FBADRM COc1nc(C(=O)OCc2nnnn2CC2CCOCC2)cc(=O)[n-]1 ZINC000768871112 660759227 /nfs/dbraw/zinc/75/92/27/660759227.db2.gz NLRUWYODPDFISU-UHFFFAOYSA-N -1 0 350.335 -0.039 20 0 FBADRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCc1nnn[n-]1 ZINC000768973973 660759492 /nfs/dbraw/zinc/75/94/92/660759492.db2.gz XKLFTGQYJKPKDG-NSHDSACASA-N -1 0 355.399 -0.519 20 0 FBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000769250182 660761648 /nfs/dbraw/zinc/76/16/48/660761648.db2.gz BHFJNDWAHBWFOY-UHFFFAOYSA-N -1 0 365.371 -0.190 20 0 FBADRM CCc1c(C(=O)[N-]S(=O)(=O)CC(N)=O)cnn1-c1ccccc1OC ZINC000769314582 660762385 /nfs/dbraw/zinc/76/23/85/660762385.db2.gz NVROZULHRAXFES-UHFFFAOYSA-N -1 0 366.399 -0.012 20 0 FBADRM CC[C@@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)[O-] ZINC000769563027 601677873 /nfs/dbraw/zinc/67/78/73/601677873.db2.gz SXXGCTZEXBZZDV-ZCFIWIBFSA-N -1 0 372.179 -0.128 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000769588670 660764269 /nfs/dbraw/zinc/76/42/69/660764269.db2.gz UNVJOHJYAUAJPQ-SECBINFHSA-N -1 0 367.387 -0.281 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000769588677 660764273 /nfs/dbraw/zinc/76/42/73/660764273.db2.gz UNVJOHJYAUAJPQ-VIFPVBQESA-N -1 0 367.387 -0.281 20 0 FBADRM C[C@@H](C(=O)[N-]OCC(N)=O)N1C(=O)c2ccc(Br)cc2C1=O ZINC000769654321 660764830 /nfs/dbraw/zinc/76/48/30/660764830.db2.gz RFALRVJHYZTEQZ-LURJTMIESA-N -1 0 370.159 -0.033 20 0 FBADRM C[C@H](C(=O)[N-]OCC(N)=O)N1C(=O)c2ccc(Br)cc2C1=O ZINC000769654332 660764842 /nfs/dbraw/zinc/76/48/42/660764842.db2.gz RFALRVJHYZTEQZ-ZCFIWIBFSA-N -1 0 370.159 -0.033 20 0 FBADRM COc1ccc(S(=O)(=O)NCCO)c([N-]S(=O)(=O)C(F)F)c1 ZINC000769654561 660764802 /nfs/dbraw/zinc/76/48/02/660764802.db2.gz YZAUCDCHGBUFKJ-UHFFFAOYSA-N -1 0 360.360 -0.070 20 0 FBADRM CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC000769746008 660765415 /nfs/dbraw/zinc/76/54/15/660765415.db2.gz WGDABVCNIOHHKP-GFCCVEGCSA-N -1 0 350.780 -0.187 20 0 FBADRM CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC000769746009 660765551 /nfs/dbraw/zinc/76/55/51/660765551.db2.gz WGDABVCNIOHHKP-LBPRGKRZSA-N -1 0 350.780 -0.187 20 0 FBADRM C[C@](O)(CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)C(=O)[O-] ZINC000769746063 660765564 /nfs/dbraw/zinc/76/55/64/660765564.db2.gz BPEPJPDJYIEJLQ-HNNXBMFYSA-N -1 0 368.367 -0.441 20 0 FBADRM C[C@@](O)(CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)C(=O)[O-] ZINC000769746064 660765572 /nfs/dbraw/zinc/76/55/72/660765572.db2.gz BPEPJPDJYIEJLQ-OAHLLOKOSA-N -1 0 368.367 -0.441 20 0 FBADRM C[C@](O)(CNC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1)C(=O)[O-] ZINC000769749377 660765400 /nfs/dbraw/zinc/76/54/00/660765400.db2.gz NCBIWIUCFKGBCP-AWEZNQCLSA-N -1 0 360.363 -0.168 20 0 FBADRM C[C@@](O)(CNC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1)C(=O)[O-] ZINC000769749379 660765515 /nfs/dbraw/zinc/76/55/15/660765515.db2.gz NCBIWIUCFKGBCP-CQSZACIVSA-N -1 0 360.363 -0.168 20 0 FBADRM CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)NC(C(N)=O)C(N)=O ZINC000769754883 660765951 /nfs/dbraw/zinc/76/59/51/660765951.db2.gz DQBSGSKNCWTPMP-UHFFFAOYSA-N -1 0 364.383 -0.720 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cn(CC(=O)C(C)(C)C)nn2)cn1 ZINC000769793519 660766113 /nfs/dbraw/zinc/76/61/13/660766113.db2.gz AKFYTFSXVNHLMJ-UHFFFAOYSA-N -1 0 354.392 -0.255 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2coc(S(=O)(=O)N(C)C)c2)C1=O ZINC000769806949 660766151 /nfs/dbraw/zinc/76/61/51/660766151.db2.gz OXJOBNXEFWKMRX-CYBMUJFWSA-N -1 0 358.376 -0.105 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2coc(S(=O)(=O)N(C)C)c2)C1=O ZINC000769806950 660766139 /nfs/dbraw/zinc/76/61/39/660766139.db2.gz OXJOBNXEFWKMRX-ZDUSSCGKSA-N -1 0 358.376 -0.105 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(S(=O)(=O)NC)nc2)C1=O ZINC000769814391 660766397 /nfs/dbraw/zinc/76/63/97/660766397.db2.gz NUYMNBCMHZWNID-CYBMUJFWSA-N -1 0 355.376 -0.645 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(S(=O)(=O)NC)nc2)C1=O ZINC000769814398 660766412 /nfs/dbraw/zinc/76/64/12/660766412.db2.gz NUYMNBCMHZWNID-ZDUSSCGKSA-N -1 0 355.376 -0.645 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(S(=O)(=O)NC)oc2C)C1=O ZINC000769816743 660766455 /nfs/dbraw/zinc/76/64/55/660766455.db2.gz UTQOKQSMPAZZEW-CYBMUJFWSA-N -1 0 358.376 -0.139 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(S(=O)(=O)NC)oc2C)C1=O ZINC000769816745 660766407 /nfs/dbraw/zinc/76/64/07/660766407.db2.gz UTQOKQSMPAZZEW-ZDUSSCGKSA-N -1 0 358.376 -0.139 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(S(=O)(=O)N(C)C)o2)C1=O ZINC000769854545 660767002 /nfs/dbraw/zinc/76/70/02/660767002.db2.gz MMCZIOBTWIDIFZ-CYBMUJFWSA-N -1 0 358.376 -0.105 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(S(=O)(=O)N(C)C)o2)C1=O ZINC000769854971 660767015 /nfs/dbraw/zinc/76/70/15/660767015.db2.gz MMCZIOBTWIDIFZ-ZDUSSCGKSA-N -1 0 358.376 -0.105 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cccnc2OC)CC1 ZINC000770115464 660769205 /nfs/dbraw/zinc/76/92/05/660769205.db2.gz MJVQEAMJDQHBLT-UHFFFAOYSA-N -1 0 357.388 -0.050 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccc3n[nH]c(=O)n3c2)c1Cl ZINC000770116324 660769119 /nfs/dbraw/zinc/76/91/19/660769119.db2.gz LVBGCNIXAZZLLR-UHFFFAOYSA-N -1 0 356.751 -0.060 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc3n[nH]c(=O)n3c2)s1 ZINC000770126731 660769547 /nfs/dbraw/zinc/76/95/47/660769547.db2.gz AWWFOBHWFHEUPO-UHFFFAOYSA-N -1 0 367.368 -0.286 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000770140528 660769557 /nfs/dbraw/zinc/76/95/57/660769557.db2.gz MXOXGZXJVYPOTM-UHFFFAOYSA-N -1 0 373.406 -0.031 20 0 FBADRM CN1CCC(=O)Nc2cc(C(=O)[N-]S(=O)(=O)N3CCOCC3)ccc21 ZINC000770141237 660769580 /nfs/dbraw/zinc/76/95/80/660769580.db2.gz QSAOGSUGAQMSGK-UHFFFAOYSA-N -1 0 368.415 -0.228 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CCCN2C(=O)CNC2=O)nc1C ZINC000770191945 660769868 /nfs/dbraw/zinc/76/98/68/660769868.db2.gz IJFVHZHDJFYGKC-UHFFFAOYSA-N -1 0 357.392 -0.652 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2S(C)(=O)=O)nc1C ZINC000770195712 660769909 /nfs/dbraw/zinc/76/99/09/660769909.db2.gz YSQIBWJBKOYBNI-JTQLQIEISA-N -1 0 364.449 -0.560 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2S(C)(=O)=O)nc1C ZINC000770195715 660769874 /nfs/dbraw/zinc/76/98/74/660769874.db2.gz YSQIBWJBKOYBNI-SNVBAGLBSA-N -1 0 364.449 -0.560 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CCCN2C(=O)CCC2=O)nc1C ZINC000770200820 660770197 /nfs/dbraw/zinc/77/01/97/660770197.db2.gz GWBYUDFWEWIMSI-UHFFFAOYSA-N -1 0 356.404 -0.054 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CN2CCCS2(=O)=O)nc1C ZINC000770205018 660770206 /nfs/dbraw/zinc/77/02/06/660770206.db2.gz DVYOMRPIOQWQLD-UHFFFAOYSA-N -1 0 350.422 -0.948 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(CCOC)C2)nc1C ZINC000770205747 660770055 /nfs/dbraw/zinc/77/00/55/660770055.db2.gz JNJVTGSIEASHLZ-LLVKDONJSA-N -1 0 358.420 -0.489 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(CCOC)C2)nc1C ZINC000770205748 660770183 /nfs/dbraw/zinc/77/01/83/660770183.db2.gz JNJVTGSIEASHLZ-NSHDSACASA-N -1 0 358.420 -0.489 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CCN2CCCS2(=O)=O)nc1C ZINC000770206453 660770093 /nfs/dbraw/zinc/77/00/93/660770093.db2.gz JAQPNUPATLXCSW-UHFFFAOYSA-N -1 0 364.449 -0.558 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cn(CC(=O)N(C)C)nn2)nc1C ZINC000770209230 660770117 /nfs/dbraw/zinc/77/01/17/660770117.db2.gz XOPWOTVUHLYTJB-UHFFFAOYSA-N -1 0 369.407 -0.990 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)COC)C(C)C)nc1C ZINC000770212223 660770190 /nfs/dbraw/zinc/77/01/90/660770190.db2.gz SCIHCKPBGJREPC-ZDUSSCGKSA-N -1 0 360.436 -0.196 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CCC(=O)N2CCOCC2)nc1C ZINC000770212261 660770193 /nfs/dbraw/zinc/77/01/93/660770193.db2.gz SDMJUHMCGBLDAM-UHFFFAOYSA-N -1 0 358.420 -0.345 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000770355629 660771461 /nfs/dbraw/zinc/77/14/61/660771461.db2.gz HUHFDADOLRUTQZ-UHFFFAOYSA-N -1 0 355.372 -0.161 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCNC(=O)OCC(F)(F)F ZINC000770356189 660771420 /nfs/dbraw/zinc/77/14/20/660771420.db2.gz LWUISASXQRERLN-UHFFFAOYSA-N -1 0 364.298 -0.326 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)Cn1c(=O)cnc2ccccc21 ZINC000770357171 660771297 /nfs/dbraw/zinc/77/12/97/660771297.db2.gz SDVOGRCGGIEBII-UHFFFAOYSA-N -1 0 353.356 -0.594 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000770357324 660771300 /nfs/dbraw/zinc/77/13/00/660771300.db2.gz UYEKLWGWUZIDSV-UHFFFAOYSA-N -1 0 373.362 -0.022 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCn1nnc2ccccc2c1=O ZINC000770357863 660771439 /nfs/dbraw/zinc/77/14/39/660771439.db2.gz ZFNYQHCCYVEMAK-UHFFFAOYSA-N -1 0 368.371 -0.809 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000770359170 660771293 /nfs/dbraw/zinc/77/12/93/660771293.db2.gz HPWPWFKQXHFBJT-UHFFFAOYSA-N -1 0 363.413 -0.146 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCc1c(C)nc2ncnn2c1C ZINC000770359179 660771310 /nfs/dbraw/zinc/77/13/10/660771310.db2.gz HUJBATBLLKOXJD-UHFFFAOYSA-N -1 0 369.403 -0.317 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)C1CCN(c2cnccn2)CC1 ZINC000770359331 660771295 /nfs/dbraw/zinc/77/12/95/660771295.db2.gz JXBGHOHENBMOSN-UHFFFAOYSA-N -1 0 356.404 -0.298 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCn1cnc2ccccc2c1=O ZINC000770360049 660771359 /nfs/dbraw/zinc/77/13/59/660771359.db2.gz LNFYOZRGYASJRZ-UHFFFAOYSA-N -1 0 367.383 -0.204 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000770360891 660771339 /nfs/dbraw/zinc/77/13/39/660771339.db2.gz OKIWEAAMFQGUMO-PELKAZGASA-N -1 0 350.418 -0.551 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000770360903 660771292 /nfs/dbraw/zinc/77/12/92/660771292.db2.gz OKIWEAAMFQGUMO-PRHODGIISA-N -1 0 350.418 -0.551 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000770360906 660771416 /nfs/dbraw/zinc/77/14/16/660771416.db2.gz OKIWEAAMFQGUMO-QPUJVOFHSA-N -1 0 350.418 -0.551 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000770360908 660771397 /nfs/dbraw/zinc/77/13/97/660771397.db2.gz OKIWEAAMFQGUMO-UFBFGSQYSA-N -1 0 350.418 -0.551 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCN1C(=O)COc2ccccc21 ZINC000770361047 660771458 /nfs/dbraw/zinc/77/14/58/660771458.db2.gz SQJZBFPSAMRMMF-UHFFFAOYSA-N -1 0 370.383 -0.189 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1ccccc1Cn1cncn1 ZINC000770361066 660771690 /nfs/dbraw/zinc/77/16/90/660771690.db2.gz TZDNWBYNJQJNRW-UHFFFAOYSA-N -1 0 352.372 -0.051 20 0 FBADRM COCCCn1c(=O)c2ccc(C(=O)NC(CO)CO)cc2[n-]c1=S ZINC000770432706 660772415 /nfs/dbraw/zinc/77/24/15/660772415.db2.gz APTUJQBUJLBZIH-UHFFFAOYSA-N -1 0 367.427 -0.195 20 0 FBADRM CCOC(=O)[C@@H](CO)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000770432964 660772463 /nfs/dbraw/zinc/77/24/63/660772463.db2.gz DRCNQCJHNRORGH-LLVKDONJSA-N -1 0 351.384 -0.124 20 0 FBADRM CCOC(=O)[C@H](CO)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000770432965 660772552 /nfs/dbraw/zinc/77/25/52/660772552.db2.gz DRCNQCJHNRORGH-NSHDSACASA-N -1 0 351.384 -0.124 20 0 FBADRM CN1C(=O)CN([N-]C(=O)c2nc(S(C)(=O)=O)n3ccccc23)C1=O ZINC000770454564 660773078 /nfs/dbraw/zinc/77/30/78/660773078.db2.gz RMBGXJUKVXFZPI-UHFFFAOYSA-N -1 0 351.344 -0.723 20 0 FBADRM COc1nc(C(=O)O[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc(=O)[n-]1 ZINC000770511223 660773986 /nfs/dbraw/zinc/77/39/86/660773986.db2.gz JVOSDHPUFMTPDJ-BDAKNGLRSA-N -1 0 373.387 -0.618 20 0 FBADRM COc1nc(C(=O)O[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc(=O)[n-]1 ZINC000770511226 660774089 /nfs/dbraw/zinc/77/40/89/660774089.db2.gz JVOSDHPUFMTPDJ-DTWKUNHWSA-N -1 0 373.387 -0.618 20 0 FBADRM COc1nc(C(=O)O[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc(=O)[n-]1 ZINC000770511227 660774005 /nfs/dbraw/zinc/77/40/05/660774005.db2.gz JVOSDHPUFMTPDJ-IUCAKERBSA-N -1 0 373.387 -0.618 20 0 FBADRM COc1nc(C(=O)O[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc(=O)[n-]1 ZINC000770511228 660774041 /nfs/dbraw/zinc/77/40/41/660774041.db2.gz JVOSDHPUFMTPDJ-RKDXNWHRSA-N -1 0 373.387 -0.618 20 0 FBADRM COc1nc(C(=O)OCCNS(=O)(=O)c2cnn(C)c2)cc(=O)[n-]1 ZINC000770511544 660774057 /nfs/dbraw/zinc/77/40/57/660774057.db2.gz PIYDOTJDINLUAY-UHFFFAOYSA-N -1 0 357.348 -0.940 20 0 FBADRM COc1nc(C(=O)O[C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)cc(=O)[n-]1 ZINC000770515215 660773994 /nfs/dbraw/zinc/77/39/94/660773994.db2.gz IXOLEDLVZMFQMS-BDAKNGLRSA-N -1 0 352.347 -0.540 20 0 FBADRM COc1nc(C(=O)O[C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)cc(=O)[n-]1 ZINC000770515216 660774022 /nfs/dbraw/zinc/77/40/22/660774022.db2.gz IXOLEDLVZMFQMS-DTWKUNHWSA-N -1 0 352.347 -0.540 20 0 FBADRM COc1nc(C(=O)O[C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)cc(=O)[n-]1 ZINC000770515217 660774073 /nfs/dbraw/zinc/77/40/73/660774073.db2.gz IXOLEDLVZMFQMS-IUCAKERBSA-N -1 0 352.347 -0.540 20 0 FBADRM COc1nc(C(=O)O[C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)cc(=O)[n-]1 ZINC000770515218 660773973 /nfs/dbraw/zinc/77/39/73/660773973.db2.gz IXOLEDLVZMFQMS-RKDXNWHRSA-N -1 0 352.347 -0.540 20 0 FBADRM COc1nc(C(=O)OCC(=O)N2CCC[C@H](NC(C)=O)C2)cc(=O)[n-]1 ZINC000770515467 660774010 /nfs/dbraw/zinc/77/40/10/660774010.db2.gz BSQBZVNEJIGYRE-JTQLQIEISA-N -1 0 352.347 -0.525 20 0 FBADRM COc1nc(C(=O)OCC(=O)N2CCC[C@@H](NC(C)=O)C2)cc(=O)[n-]1 ZINC000770515468 660774046 /nfs/dbraw/zinc/77/40/46/660774046.db2.gz BSQBZVNEJIGYRE-SNVBAGLBSA-N -1 0 352.347 -0.525 20 0 FBADRM COc1nc(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)cc(=O)[n-]1 ZINC000770515529 660774082 /nfs/dbraw/zinc/77/40/82/660774082.db2.gz NRMORHDBCYTLBC-UHFFFAOYSA-N -1 0 352.225 -0.264 20 0 FBADRM COc1nc(C(=O)OCC(=O)c2ccc(S(N)(=O)=O)cc2)cc(=O)[n-]1 ZINC000770516175 660773979 /nfs/dbraw/zinc/77/39/79/660773979.db2.gz CPSOURBLLQLIPT-UHFFFAOYSA-N -1 0 367.339 -0.122 20 0 FBADRM COc1nc(C(=O)OCC(=O)NCCCN2CCCC2=O)cc(=O)[n-]1 ZINC000770517688 660774454 /nfs/dbraw/zinc/77/44/54/660774454.db2.gz OIQHCHVUNGIZHY-UHFFFAOYSA-N -1 0 352.347 -0.524 20 0 FBADRM COC(=O)C1CCN(C(=O)COC(=O)c2cc(=O)[n-]c(OC)n2)CC1 ZINC000770518262 660774487 /nfs/dbraw/zinc/77/44/87/660774487.db2.gz MKVUULJNXJPGDH-UHFFFAOYSA-N -1 0 353.331 -0.241 20 0 FBADRM COc1nc(C(=O)O[C@H](C)C(=O)N(C)CC(=O)NC2CC2)cc(=O)[n-]1 ZINC000770518689 660774432 /nfs/dbraw/zinc/77/44/32/660774432.db2.gz QAFUHRXRWMXMIH-MRVPVSSYSA-N -1 0 352.347 -0.527 20 0 FBADRM COc1nc(C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)cc(=O)[n-]1 ZINC000770518690 660774469 /nfs/dbraw/zinc/77/44/69/660774469.db2.gz QAFUHRXRWMXMIH-QMMMGPOBSA-N -1 0 352.347 -0.527 20 0 FBADRM COc1nc(C(=O)OCC(=O)NC(=O)NCc2ccco2)cc(=O)[n-]1 ZINC000770519972 660774394 /nfs/dbraw/zinc/77/43/94/660774394.db2.gz VMPHJKZQVFSWQH-UHFFFAOYSA-N -1 0 350.287 -0.033 20 0 FBADRM CCN(CC(=O)NC(C)C)C(=O)COC(=O)c1cc(=O)[n-]c(OC)n1 ZINC000770520707 660774400 /nfs/dbraw/zinc/77/44/00/660774400.db2.gz ZOMQSMLDXLHUAO-UHFFFAOYSA-N -1 0 354.363 -0.279 20 0 FBADRM COc1nc(C(=O)O[C@H](C)C(=O)N2CCN(C(C)=O)CC2)cc(=O)[n-]1 ZINC000770521093 660774290 /nfs/dbraw/zinc/77/42/90/660774290.db2.gz VHQMBZZDCRTXLQ-SECBINFHSA-N -1 0 352.347 -0.573 20 0 FBADRM COc1nc(C(=O)O[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)cc(=O)[n-]1 ZINC000770521095 660774381 /nfs/dbraw/zinc/77/43/81/660774381.db2.gz VHQMBZZDCRTXLQ-VIFPVBQESA-N -1 0 352.347 -0.573 20 0 FBADRM COc1nc(C(=O)OCC(=O)N2CCC3(CC2)OCCO3)cc(=O)[n-]1 ZINC000770521291 660774387 /nfs/dbraw/zinc/77/43/87/660774387.db2.gz XQXRIQVAVMGLSO-UHFFFAOYSA-N -1 0 353.331 -0.287 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000770521736 660774444 /nfs/dbraw/zinc/77/44/44/660774444.db2.gz OFQNONVADIUCKF-UHFFFAOYSA-N -1 0 374.419 -0.094 20 0 FBADRM CCN(C(=O)COC(=O)c1cc(=O)[n-]c(OC)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000770522057 660774375 /nfs/dbraw/zinc/77/43/75/660774375.db2.gz ZBJHNLBOJDZKHS-SECBINFHSA-N -1 0 373.387 -0.617 20 0 FBADRM CCN(C(=O)COC(=O)c1cc(=O)[n-]c(OC)n1)[C@H]1CCS(=O)(=O)C1 ZINC000770522059 660774481 /nfs/dbraw/zinc/77/44/81/660774481.db2.gz ZBJHNLBOJDZKHS-VIFPVBQESA-N -1 0 373.387 -0.617 20 0 FBADRM CC(C)(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)nn1 ZINC000770585106 660774714 /nfs/dbraw/zinc/77/47/14/660774714.db2.gz HZUNCJZEQJUEMI-UHFFFAOYSA-N -1 0 359.408 -0.800 20 0 FBADRM CC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000770586876 660774760 /nfs/dbraw/zinc/77/47/60/660774760.db2.gz XKQGPIJWWOFCPG-JTQLQIEISA-N -1 0 351.425 -0.017 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000770601858 660774704 /nfs/dbraw/zinc/77/47/04/660774704.db2.gz DCWPLQYESAHLIW-UHFFFAOYSA-N -1 0 361.424 -0.554 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000770601897 660774682 /nfs/dbraw/zinc/77/46/82/660774682.db2.gz DZZWWZZAXGCMHH-UHFFFAOYSA-N -1 0 353.422 -0.154 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000770602991 660774603 /nfs/dbraw/zinc/77/46/03/660774603.db2.gz ICMBUKVYGLLUEH-UHFFFAOYSA-N -1 0 352.438 -0.419 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 ZINC000770603099 660774721 /nfs/dbraw/zinc/77/47/21/660774721.db2.gz LXNQQVPPPIEEGP-LLVKDONJSA-N -1 0 355.482 -0.249 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 ZINC000770603102 660774671 /nfs/dbraw/zinc/77/46/71/660774671.db2.gz LXNQQVPPPIEEGP-NSHDSACASA-N -1 0 355.482 -0.249 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000770616818 660774651 /nfs/dbraw/zinc/77/46/51/660774651.db2.gz HAYWCQYBEJDGEH-UHFFFAOYSA-N -1 0 364.449 -0.595 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000770617120 660774607 /nfs/dbraw/zinc/77/46/07/660774607.db2.gz CCXQMOGMIAEHCF-UHFFFAOYSA-N -1 0 354.388 -0.195 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000770618229 660774969 /nfs/dbraw/zinc/77/49/69/660774969.db2.gz ITUYCKHZYCYXEI-UHFFFAOYSA-N -1 0 360.436 -0.056 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000770618381 660774915 /nfs/dbraw/zinc/77/49/15/660774915.db2.gz KZNABWJNZNWCNH-UHFFFAOYSA-N -1 0 360.436 -0.056 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000770620084 660774975 /nfs/dbraw/zinc/77/49/75/660774975.db2.gz MQKGTOKMMMDCFR-JTQLQIEISA-N -1 0 360.436 -0.058 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000770620085 660774944 /nfs/dbraw/zinc/77/49/44/660774944.db2.gz MQKGTOKMMMDCFR-SNVBAGLBSA-N -1 0 360.436 -0.058 20 0 FBADRM CC(C)(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2cnccn2)nn1 ZINC000770622216 660774961 /nfs/dbraw/zinc/77/49/61/660774961.db2.gz DGIRHNRPTGKEAP-UHFFFAOYSA-N -1 0 352.376 -0.198 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC000770622313 660774979 /nfs/dbraw/zinc/77/49/79/660774979.db2.gz DUVHBMZEPMPYMJ-UHFFFAOYSA-N -1 0 355.482 -0.249 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)c(OC)c1 ZINC000770622814 660774984 /nfs/dbraw/zinc/77/49/84/660774984.db2.gz GGKFFQUASTXEST-UHFFFAOYSA-N -1 0 359.404 -0.124 20 0 FBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000770804340 660776053 /nfs/dbraw/zinc/77/60/53/660776053.db2.gz OKBBDGUMCNABLM-UHFFFAOYSA-N -1 0 363.413 -0.390 20 0 FBADRM O=C(CCS(=O)(=O)[N-]C(=O)[C@H]1COCCO1)OCc1ccccc1 ZINC000770806890 660776138 /nfs/dbraw/zinc/77/61/38/660776138.db2.gz GWLZMMLWUAUXGP-CYBMUJFWSA-N -1 0 357.384 -0.019 20 0 FBADRM O=C(CCS(=O)(=O)[N-]C(=O)[C@@H]1COCCO1)OCc1ccccc1 ZINC000770806903 660776431 /nfs/dbraw/zinc/77/64/31/660776431.db2.gz GWLZMMLWUAUXGP-ZDUSSCGKSA-N -1 0 357.384 -0.019 20 0 FBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000770810710 660776252 /nfs/dbraw/zinc/77/62/52/660776252.db2.gz JIKOFNZTKUMKSL-UHFFFAOYSA-N -1 0 358.372 -0.078 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cccc([S@@](C)=O)c2)cc1C(N)=O ZINC000770831035 660776685 /nfs/dbraw/zinc/77/66/85/660776685.db2.gz AHJSOXULPXQIBI-HSZRJFAPSA-N -1 0 369.424 -0.020 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cccc([S@](C)=O)c2)cc1C(N)=O ZINC000770831036 660776632 /nfs/dbraw/zinc/77/66/32/660776632.db2.gz AHJSOXULPXQIBI-QHCPKHFHSA-N -1 0 369.424 -0.020 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CCC(=O)c2ccccn2)cc1C(N)=O ZINC000770835799 660776512 /nfs/dbraw/zinc/77/65/12/660776512.db2.gz RRTZVSGMIYYRRC-UHFFFAOYSA-N -1 0 364.383 -0.013 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cccnc2)cn1 ZINC000770837178 660776591 /nfs/dbraw/zinc/77/65/91/660776591.db2.gz YERIHAWZBUTOMQ-UHFFFAOYSA-N -1 0 370.412 -0.154 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCCC2)cn1 ZINC000770840594 660776525 /nfs/dbraw/zinc/77/65/25/660776525.db2.gz LPBIWEFUOBYPLG-UHFFFAOYSA-N -1 0 362.433 -0.598 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)cn1 ZINC000770842947 660776540 /nfs/dbraw/zinc/77/65/40/660776540.db2.gz MSGXLKWLBNHQTC-UHFFFAOYSA-N -1 0 373.416 -0.816 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000770862132 660776573 /nfs/dbraw/zinc/77/65/73/660776573.db2.gz KFGDDHCUPFJYIT-UHFFFAOYSA-N -1 0 364.449 -0.353 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000770864984 660776529 /nfs/dbraw/zinc/77/65/29/660776529.db2.gz LQLHMPFEIRYOSB-UHFFFAOYSA-N -1 0 351.406 -0.962 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000770866340 660776910 /nfs/dbraw/zinc/77/69/10/660776910.db2.gz UFGACEUXFLAEMZ-UHFFFAOYSA-N -1 0 365.433 -0.572 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccccn2)cn1 ZINC000770870783 660776901 /nfs/dbraw/zinc/77/69/01/660776901.db2.gz IZLWPLNEGHCFCL-UHFFFAOYSA-N -1 0 370.412 -0.154 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000770874093 660776783 /nfs/dbraw/zinc/77/67/83/660776783.db2.gz UVGHFMLQNDVUBP-SECBINFHSA-N -1 0 365.433 -0.574 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000770874094 660776782 /nfs/dbraw/zinc/77/67/82/660776782.db2.gz UVGHFMLQNDVUBP-VIFPVBQESA-N -1 0 365.433 -0.574 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cn1 ZINC000770874111 660776937 /nfs/dbraw/zinc/77/69/37/660776937.db2.gz VHTULDZMZPKOPF-JTQLQIEISA-N -1 0 363.417 -0.820 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cn1 ZINC000770874112 660776899 /nfs/dbraw/zinc/77/68/99/660776899.db2.gz VHTULDZMZPKOPF-SNVBAGLBSA-N -1 0 363.417 -0.820 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000770878090 660776940 /nfs/dbraw/zinc/77/69/40/660776940.db2.gz UWLBWKMWQVPROI-UHFFFAOYSA-N -1 0 350.422 -0.742 20 0 FBADRM CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000770878600 660776796 /nfs/dbraw/zinc/77/67/96/660776796.db2.gz XKQGPIJWWOFCPG-SNVBAGLBSA-N -1 0 351.425 -0.017 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCCF)cn1 ZINC000770881425 660776837 /nfs/dbraw/zinc/77/68/37/660776837.db2.gz GBPSOMGUEGRUSV-UHFFFAOYSA-N -1 0 353.397 -0.249 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)[N-]C(=O)CS(C)(=O)=O)C1 ZINC000770882743 660776779 /nfs/dbraw/zinc/77/67/79/660776779.db2.gz NDYCVCLDLRMDNN-SECBINFHSA-N -1 0 370.449 -0.514 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)[N-]C(=O)CS(C)(=O)=O)C1 ZINC000770882744 660776799 /nfs/dbraw/zinc/77/67/99/660776799.db2.gz NDYCVCLDLRMDNN-VIFPVBQESA-N -1 0 370.449 -0.514 20 0 FBADRM CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000770885788 660776794 /nfs/dbraw/zinc/77/67/94/660776794.db2.gz YJYJKSQFAHLVMX-GXSJLCMTSA-N -1 0 363.436 -0.034 20 0 FBADRM CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000770885789 660776841 /nfs/dbraw/zinc/77/68/41/660776841.db2.gz YJYJKSQFAHLVMX-KOLCDFICSA-N -1 0 363.436 -0.034 20 0 FBADRM CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000770885790 660776862 /nfs/dbraw/zinc/77/68/62/660776862.db2.gz YJYJKSQFAHLVMX-MWLCHTKSSA-N -1 0 363.436 -0.034 20 0 FBADRM CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000770885791 660776784 /nfs/dbraw/zinc/77/67/84/660776784.db2.gz YJYJKSQFAHLVMX-ONGXEEELSA-N -1 0 363.436 -0.034 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)[N-]C(=O)[C@H]2COCCO2)C1 ZINC000770889430 660776931 /nfs/dbraw/zinc/77/69/31/660776931.db2.gz NFLJLNRCTLUMDV-GHMZBOCLSA-N -1 0 364.420 -0.143 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)[N-]C(=O)[C@@H]2COCCO2)C1 ZINC000770889433 660776885 /nfs/dbraw/zinc/77/68/85/660776885.db2.gz NFLJLNRCTLUMDV-MNOVXSKESA-N -1 0 364.420 -0.143 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)[N-]C(=O)[C@@H]2COCCO2)C1 ZINC000770889436 660776811 /nfs/dbraw/zinc/77/68/11/660776811.db2.gz NFLJLNRCTLUMDV-QWRGUYRKSA-N -1 0 364.420 -0.143 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)[N-]C(=O)[C@H]2COCCO2)C1 ZINC000770889439 660776888 /nfs/dbraw/zinc/77/68/88/660776888.db2.gz NFLJLNRCTLUMDV-WDEREUQCSA-N -1 0 364.420 -0.143 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnccn2)cn1 ZINC000770891442 660776848 /nfs/dbraw/zinc/77/68/48/660776848.db2.gz POKIIBVVTCNBOL-UHFFFAOYSA-N -1 0 371.400 -0.759 20 0 FBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000770892320 660776845 /nfs/dbraw/zinc/77/68/45/660776845.db2.gz WYMYYKCOBVHUDF-LLVKDONJSA-N -1 0 363.436 -0.080 20 0 FBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000770892322 660776828 /nfs/dbraw/zinc/77/68/28/660776828.db2.gz WYMYYKCOBVHUDF-NSHDSACASA-N -1 0 363.436 -0.080 20 0 FBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000770892795 660776804 /nfs/dbraw/zinc/77/68/04/660776804.db2.gz HRSGGLLHZMDJOA-SECBINFHSA-N -1 0 365.408 -0.202 20 0 FBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000770892799 660776917 /nfs/dbraw/zinc/77/69/17/660776917.db2.gz HRSGGLLHZMDJOA-VIFPVBQESA-N -1 0 365.408 -0.202 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000770893820 660776895 /nfs/dbraw/zinc/77/68/95/660776895.db2.gz RQFLDSTWXDFLPS-UHFFFAOYSA-N -1 0 364.449 -0.352 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccnn2C)cn1 ZINC000770911568 660777098 /nfs/dbraw/zinc/77/70/98/660777098.db2.gz FWHPVQZJVNUPEE-UHFFFAOYSA-N -1 0 373.416 -0.816 20 0 FBADRM COCCOc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)c(Cl)c1 ZINC000770913330 660777068 /nfs/dbraw/zinc/77/70/68/660777068.db2.gz PIQUYCWJNWHHQF-UHFFFAOYSA-N -1 0 350.780 -0.090 20 0 FBADRM CCc1c(C(=O)[N-]S(=O)(=O)CC(N)=O)cnn1-c1ccc(OC)cc1 ZINC000770913957 660777059 /nfs/dbraw/zinc/77/70/59/660777059.db2.gz PVYVGJIRQIKDEC-UHFFFAOYSA-N -1 0 366.399 -0.012 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000770914152 660777127 /nfs/dbraw/zinc/77/71/27/660777127.db2.gz SQQHKKBPRACCRI-UHFFFAOYSA-N -1 0 350.278 -0.102 20 0 FBADRM CCn1c(=O)c2ccc(C(=O)NCCOCC(N)=O)cc2[n-]c1=S ZINC000771041312 660777663 /nfs/dbraw/zinc/77/76/63/660777663.db2.gz PVVXBHBUDDVTTF-UHFFFAOYSA-N -1 0 350.400 -0.063 20 0 FBADRM CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000771259061 660778529 /nfs/dbraw/zinc/77/85/29/660778529.db2.gz MYYQFWKUADUBJC-UHFFFAOYSA-N -1 0 358.420 -0.158 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cn(C)nc1CC ZINC000771282003 660778365 /nfs/dbraw/zinc/77/83/65/660778365.db2.gz GYLKLMQBSJOIRB-GFCCVEGCSA-N -1 0 358.420 -0.015 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cn(C)nc1CC ZINC000771282004 660778400 /nfs/dbraw/zinc/77/84/00/660778400.db2.gz GYLKLMQBSJOIRB-LBPRGKRZSA-N -1 0 358.420 -0.015 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC)CC1=O ZINC000771520936 660779292 /nfs/dbraw/zinc/77/92/92/660779292.db2.gz XHOLYZJAYNAVEY-GARJFASQSA-N -1 0 364.420 -0.875 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC)CC1=O ZINC000771520937 660779366 /nfs/dbraw/zinc/77/93/66/660779366.db2.gz XHOLYZJAYNAVEY-GMTAPVOTSA-N -1 0 364.420 -0.875 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC)CC1=O ZINC000771520938 660779320 /nfs/dbraw/zinc/77/93/20/660779320.db2.gz XHOLYZJAYNAVEY-HBNTYKKESA-N -1 0 364.420 -0.875 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC)CC1=O ZINC000771520939 660779411 /nfs/dbraw/zinc/77/94/11/660779411.db2.gz XHOLYZJAYNAVEY-OUAUKWLOSA-N -1 0 364.420 -0.875 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(-n2cnnn2)c1 ZINC000771525511 660779310 /nfs/dbraw/zinc/77/93/10/660779310.db2.gz NXPABPVQOYLSLY-NXEZZACHSA-N -1 0 367.387 -0.081 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(-n2cnnn2)c1 ZINC000771525515 660779299 /nfs/dbraw/zinc/77/92/99/660779299.db2.gz NXPABPVQOYLSLY-UWVGGRQHSA-N -1 0 367.387 -0.081 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(-n2cnnn2)c1 ZINC000771525519 660779397 /nfs/dbraw/zinc/77/93/97/660779397.db2.gz NXPABPVQOYLSLY-VHSXEESVSA-N -1 0 367.387 -0.081 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(-n2cnnn2)c1 ZINC000771525525 660779403 /nfs/dbraw/zinc/77/94/03/660779403.db2.gz NXPABPVQOYLSLY-ZJUUUORDSA-N -1 0 367.387 -0.081 20 0 FBADRM COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)[N-]S(C)(=O)=O)C1=O ZINC000771566475 660779666 /nfs/dbraw/zinc/77/96/66/660779666.db2.gz MUDUXTGQYYLFLF-HNNXBMFYSA-N -1 0 369.399 -0.154 20 0 FBADRM COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)[N-]S(C)(=O)=O)C1=O ZINC000771566516 660779673 /nfs/dbraw/zinc/77/96/73/660779673.db2.gz MUDUXTGQYYLFLF-OAHLLOKOSA-N -1 0 369.399 -0.154 20 0 FBADRM COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)[N-]S(C)(=O)=O)C1=O ZINC000771567630 660779644 /nfs/dbraw/zinc/77/96/44/660779644.db2.gz RVDQSAPAJGBBCZ-AWEZNQCLSA-N -1 0 355.372 -0.462 20 0 FBADRM COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)[N-]S(C)(=O)=O)C1=O ZINC000771567632 660779631 /nfs/dbraw/zinc/77/96/31/660779631.db2.gz RVDQSAPAJGBBCZ-CQSZACIVSA-N -1 0 355.372 -0.462 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O ZINC000771603312 660780132 /nfs/dbraw/zinc/78/01/32/660780132.db2.gz TYWOTVXCLOTCBB-HNNXBMFYSA-N -1 0 369.399 -0.072 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O ZINC000771603314 660780200 /nfs/dbraw/zinc/78/02/00/660780200.db2.gz TYWOTVXCLOTCBB-OAHLLOKOSA-N -1 0 369.399 -0.072 20 0 FBADRM CCCC[C@@H](NC(=O)NCC)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000771617218 660780120 /nfs/dbraw/zinc/78/01/20/660780120.db2.gz KZVNFUMENYETSZ-LLVKDONJSA-N -1 0 350.441 -0.443 20 0 FBADRM CCCC[C@H](NC(=O)NCC)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000771617219 660780189 /nfs/dbraw/zinc/78/01/89/660780189.db2.gz KZVNFUMENYETSZ-NSHDSACASA-N -1 0 350.441 -0.443 20 0 FBADRM CCCC[C@@H](NC(=O)NCC)C(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000771628519 660780515 /nfs/dbraw/zinc/78/05/15/660780515.db2.gz HLJYFGHKQYXRAV-LLVKDONJSA-N -1 0 352.457 -0.197 20 0 FBADRM CCCC[C@H](NC(=O)NCC)C(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000771628531 660780542 /nfs/dbraw/zinc/78/05/42/660780542.db2.gz HLJYFGHKQYXRAV-NSHDSACASA-N -1 0 352.457 -0.197 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NC3(C(N)=O)CCOCC3)cc2[n-]c1=S ZINC000771741707 660780934 /nfs/dbraw/zinc/78/09/34/660780934.db2.gz UGDQONBGFXEBCO-UHFFFAOYSA-N -1 0 362.411 -0.014 20 0 FBADRM COC[C@@H]([N-]S(=O)(=O)c1nc(C)c(Br)s1)C(N)=O ZINC000771784030 660781303 /nfs/dbraw/zinc/78/13/03/660781303.db2.gz HCLKIFIOSLAYBU-RXMQYKEDSA-N -1 0 358.239 -0.007 20 0 FBADRM COC[C@H]([N-]S(=O)(=O)c1nc(C)c(Br)s1)C(N)=O ZINC000771784037 660781262 /nfs/dbraw/zinc/78/12/62/660781262.db2.gz HCLKIFIOSLAYBU-YFKPBYRVSA-N -1 0 358.239 -0.007 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000772176157 660783769 /nfs/dbraw/zinc/78/37/69/660783769.db2.gz XFCHDLIHHFBCCB-UHFFFAOYSA-N -1 0 356.448 -0.342 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000772197345 660784251 /nfs/dbraw/zinc/78/42/51/660784251.db2.gz CVHCAPCZHGKBOM-NEPJUHHUSA-N -1 0 365.429 -0.993 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000772197346 660784175 /nfs/dbraw/zinc/78/41/75/660784175.db2.gz CVHCAPCZHGKBOM-NWDGAFQWSA-N -1 0 365.429 -0.993 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000772197348 660784266 /nfs/dbraw/zinc/78/42/66/660784266.db2.gz CVHCAPCZHGKBOM-RYUDHWBXSA-N -1 0 365.429 -0.993 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000772197349 660784090 /nfs/dbraw/zinc/78/40/90/660784090.db2.gz CVHCAPCZHGKBOM-VXGBXAGGSA-N -1 0 365.429 -0.993 20 0 FBADRM CCOC(=O)CC[C@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-] ZINC000772198076 660784170 /nfs/dbraw/zinc/78/41/70/660784170.db2.gz AJNXMQOXGFUQBW-NSHDSACASA-N -1 0 352.409 -0.272 20 0 FBADRM CN(C1CCOCC1)S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000772202915 660784163 /nfs/dbraw/zinc/78/41/63/660784163.db2.gz RPRGCVLQADQYQZ-CABCVRRESA-N -1 0 372.443 -0.012 20 0 FBADRM CN(C1CCOCC1)S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000772202928 660784096 /nfs/dbraw/zinc/78/40/96/660784096.db2.gz RPRGCVLQADQYQZ-GJZGRUSLSA-N -1 0 372.443 -0.012 20 0 FBADRM CN(C1CCOCC1)S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000772202931 660784121 /nfs/dbraw/zinc/78/41/21/660784121.db2.gz RPRGCVLQADQYQZ-HUUCEWRRSA-N -1 0 372.443 -0.012 20 0 FBADRM CN(C1CCOCC1)S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000772202937 660784255 /nfs/dbraw/zinc/78/42/55/660784255.db2.gz RPRGCVLQADQYQZ-LSDHHAIUSA-N -1 0 372.443 -0.012 20 0 FBADRM NS(=O)(=O)CCN1CCN(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000772207805 660784154 /nfs/dbraw/zinc/78/41/54/660784154.db2.gz BETXTCHTWADDCQ-UHFFFAOYSA-N -1 0 356.448 -0.860 20 0 FBADRM COC(=O)C1(NCC(=O)[N-]OCc2ccccc2)CCS(=O)(=O)CC1 ZINC000772211385 660784184 /nfs/dbraw/zinc/78/41/84/660784184.db2.gz WTPDHNAYHICJTB-UHFFFAOYSA-N -1 0 370.427 -0.056 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)OCCC[N-]C(=O)C(F)(F)F)ccn1 ZINC000772423150 660785555 /nfs/dbraw/zinc/78/55/55/660785555.db2.gz CEEXHTRTGASLEB-UHFFFAOYSA-N -1 0 355.294 -0.046 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CCCNC(=O)c2cccnc2)cn1 ZINC000772549989 660786893 /nfs/dbraw/zinc/78/68/93/660786893.db2.gz ULZRXYGOMMEILO-UHFFFAOYSA-N -1 0 351.388 -0.170 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CN2CCc3ccccc32)cc1C(N)=O ZINC000772631249 660787013 /nfs/dbraw/zinc/78/70/13/660787013.db2.gz BHJXLRMPHNSHCH-UHFFFAOYSA-N -1 0 362.411 -0.008 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CCCNC(=O)c1cccnc1 ZINC000772646464 660787269 /nfs/dbraw/zinc/78/72/69/660787269.db2.gz BAEGURRXHBGCCG-UHFFFAOYSA-N -1 0 371.415 -0.009 20 0 FBADRM O=C(Cn1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cn1)NC1CCCC1 ZINC000772647316 660787294 /nfs/dbraw/zinc/78/72/94/660787294.db2.gz ISHLIYZREZMUHX-CYBMUJFWSA-N -1 0 370.431 -0.210 20 0 FBADRM O=C(Cn1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cn1)NC1CCCC1 ZINC000772647318 660787286 /nfs/dbraw/zinc/78/72/86/660787286.db2.gz ISHLIYZREZMUHX-ZDUSSCGKSA-N -1 0 370.431 -0.210 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCCNC(=O)c1cccnc1 ZINC000772647358 660787408 /nfs/dbraw/zinc/78/74/08/660787408.db2.gz OCMYPFFQXPFGBJ-UHFFFAOYSA-N -1 0 358.420 -0.469 20 0 FBADRM O=C(CCCNC(=O)c1cccnc1)[N-]S(=O)(=O)N1CCOCC1 ZINC000772649871 660787345 /nfs/dbraw/zinc/78/73/45/660787345.db2.gz COSZTQJANSIEAE-UHFFFAOYSA-N -1 0 356.404 -0.715 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC000772650058 660787351 /nfs/dbraw/zinc/78/73/51/660787351.db2.gz VQSQDLFQRUAPAN-UHFFFAOYSA-N -1 0 358.420 -0.352 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC000772650100 660787396 /nfs/dbraw/zinc/78/73/96/660787396.db2.gz FSHYQUDCULRCPZ-UHFFFAOYSA-N -1 0 357.436 -0.132 20 0 FBADRM CCOCCO[N-]C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000772697795 660787818 /nfs/dbraw/zinc/78/78/18/660787818.db2.gz SHKDARUOMGUMCT-UHFFFAOYSA-N -1 0 374.195 -0.023 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)[N-]OC1CCOCC1 ZINC000772713828 660787750 /nfs/dbraw/zinc/78/77/50/660787750.db2.gz MKIZLJDLTOGPFD-JTQLQIEISA-N -1 0 360.436 -0.069 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)[N-]OC1CCOCC1 ZINC000772713829 660787874 /nfs/dbraw/zinc/78/78/74/660787874.db2.gz MKIZLJDLTOGPFD-SNVBAGLBSA-N -1 0 360.436 -0.069 20 0 FBADRM CNC(=O)CC(=O)NCCN=c1ncnc2n(C)[n-]c(Br)c1-2 ZINC000772858526 660789038 /nfs/dbraw/zinc/78/90/38/660789038.db2.gz FOPBEPOHYQPOMS-UHFFFAOYSA-N -1 0 370.211 -0.837 20 0 FBADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)C3(O)CCC3)ncnc1-2 ZINC000772859528 660788935 /nfs/dbraw/zinc/78/89/35/660788935.db2.gz PZQOSLHIKRIVMA-UHFFFAOYSA-N -1 0 369.223 -0.058 20 0 FBADRM Cn1nnnc1CCNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000772875099 660789067 /nfs/dbraw/zinc/78/90/67/660789067.db2.gz CVJFTHRXHYQZDF-UHFFFAOYSA-N -1 0 359.415 -0.042 20 0 FBADRM COCCn1c(=O)cc([O-])nc1SCC(=O)NCC(=O)NC(C)(C)C ZINC000772877729 660789093 /nfs/dbraw/zinc/78/90/93/660789093.db2.gz XCCVFSQZTBESBO-UHFFFAOYSA-N -1 0 372.447 -0.282 20 0 FBADRM NC(=O)CO[N-]C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000772926284 660789601 /nfs/dbraw/zinc/78/96/01/660789601.db2.gz QJBNZKXTOFPKPR-UHFFFAOYSA-N -1 0 356.132 -0.422 20 0 FBADRM CSCC[C@H](C(=O)[N-]OCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000772927928 660789597 /nfs/dbraw/zinc/78/95/97/660789597.db2.gz XTDYNHKGWCPGHR-LLVKDONJSA-N -1 0 351.384 -0.063 20 0 FBADRM CSCC[C@@H](C(=O)[N-]OCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000772927931 660789585 /nfs/dbraw/zinc/78/95/85/660789585.db2.gz XTDYNHKGWCPGHR-NSHDSACASA-N -1 0 351.384 -0.063 20 0 FBADRM NC(=O)CO[N-]C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000772932530 660789599 /nfs/dbraw/zinc/78/95/99/660789599.db2.gz XRTPOHYAHFFDOL-UHFFFAOYSA-N -1 0 355.148 -0.308 20 0 FBADRM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)NOCC(N)=O)c2)no1 ZINC000772933321 660789572 /nfs/dbraw/zinc/78/95/72/660789572.db2.gz LZUKCKRUXUEMTF-UHFFFAOYSA-N -1 0 354.344 -0.069 20 0 FBADRM NC(=O)CO[N-]C(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 ZINC000772937178 660789544 /nfs/dbraw/zinc/78/95/44/660789544.db2.gz VXHJPGKSBFWZRW-UHFFFAOYSA-N -1 0 350.375 -0.526 20 0 FBADRM O=C(NCCc1n[n-]c(=S)o1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000773084801 660790305 /nfs/dbraw/zinc/79/03/05/660790305.db2.gz BDUALNOGJWORIZ-UHFFFAOYSA-N -1 0 355.401 -0.485 20 0 FBADRM Cn1c(=O)c2cc(C(=O)NCCc3n[n-]c(=S)o3)cnc2n(C)c1=O ZINC000773084955 660790497 /nfs/dbraw/zinc/79/04/97/660790497.db2.gz BWNBCYYUTRWBIC-UHFFFAOYSA-N -1 0 362.371 -0.724 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NCCc3n[n-]c(=S)o3)nc2n(C)c1=O ZINC000773089288 660790480 /nfs/dbraw/zinc/79/04/80/660790480.db2.gz WBKNBKVJUVLPAN-UHFFFAOYSA-N -1 0 362.371 -0.724 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCSC[C@H]2c2nnn[n-]2)C1=O ZINC000773150635 660790912 /nfs/dbraw/zinc/79/09/12/660790912.db2.gz IAOFUHJVCOLUBV-LKFCYVNXSA-N -1 0 365.419 -0.463 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCSC[C@@H]2c2nnn[n-]2)C1=O ZINC000773150636 660790927 /nfs/dbraw/zinc/79/09/27/660790927.db2.gz IAOFUHJVCOLUBV-OTYXRUKQSA-N -1 0 365.419 -0.463 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCSC[C@H]2c2nnn[n-]2)C1=O ZINC000773150637 660790967 /nfs/dbraw/zinc/79/09/67/660790967.db2.gz IAOFUHJVCOLUBV-XPTSAGLGSA-N -1 0 365.419 -0.463 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCSC[C@@H]2c2nnn[n-]2)C1=O ZINC000773150638 660790886 /nfs/dbraw/zinc/79/08/86/660790886.db2.gz IAOFUHJVCOLUBV-YMTOWFKASA-N -1 0 365.419 -0.463 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)c(C)o1 ZINC000773157598 660790948 /nfs/dbraw/zinc/79/09/48/660790948.db2.gz FZHHADHWJSSDQX-SECBINFHSA-N -1 0 372.432 -0.060 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)c(C)o1 ZINC000773157600 660790919 /nfs/dbraw/zinc/79/09/19/660790919.db2.gz FZHHADHWJSSDQX-VIFPVBQESA-N -1 0 372.432 -0.060 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)o1 ZINC000773159443 660790897 /nfs/dbraw/zinc/79/08/97/660790897.db2.gz GAOUJWQMWRGMPV-SSDOTTSWSA-N -1 0 358.405 -0.369 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)o1 ZINC000773159444 660790907 /nfs/dbraw/zinc/79/09/07/660790907.db2.gz GAOUJWQMWRGMPV-ZETCQYMHSA-N -1 0 358.405 -0.369 20 0 FBADRM Cn1c2ncn(CCC(=O)NCCCCC(=O)[O-])c2c(=O)n(C)c1=O ZINC000773227570 598165727 /nfs/dbraw/zinc/16/57/27/598165727.db2.gz XCWDDIBXVVSRBI-UHFFFAOYSA-N -1 0 351.363 -0.805 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000773616943 660793980 /nfs/dbraw/zinc/79/39/80/660793980.db2.gz AUKIYVVOGZQWBE-UHFFFAOYSA-N -1 0 359.404 -0.040 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000773617862 660793963 /nfs/dbraw/zinc/79/39/63/660793963.db2.gz GSVPMFJVPRKOJV-UHFFFAOYSA-N -1 0 359.404 -0.241 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 ZINC000773619316 660794121 /nfs/dbraw/zinc/79/41/21/660794121.db2.gz QXBJXALRRIEUBK-UHFFFAOYSA-N -1 0 350.335 -0.306 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)Nc1ccc(CC)c(S(N)(=O)=O)c1 ZINC000773627057 660794064 /nfs/dbraw/zinc/79/40/64/660794064.db2.gz VRZVPNBQWRBOJO-UHFFFAOYSA-N -1 0 359.404 -0.081 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1C ZINC000773629007 660794046 /nfs/dbraw/zinc/79/40/46/660794046.db2.gz PJPLZTDIEWPJBS-UHFFFAOYSA-N -1 0 359.404 -0.074 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000773630133 660794022 /nfs/dbraw/zinc/79/40/22/660794022.db2.gz VQKWZVPFEAYZDK-UHFFFAOYSA-N -1 0 359.404 -0.026 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000773634114 660794009 /nfs/dbraw/zinc/79/40/09/660794009.db2.gz TYJOZYOYWZCJIY-UHFFFAOYSA-N -1 0 359.404 -0.074 20 0 FBADRM Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000773725611 660794689 /nfs/dbraw/zinc/79/46/89/660794689.db2.gz DOSGQKLKHJGISR-UHFFFAOYSA-N -1 0 353.285 -0.163 20 0 FBADRM Cc1cccn2c(=O)c(C(=O)[N-]S(=O)(=O)N3CCOCC3)cnc12 ZINC000773778522 660794801 /nfs/dbraw/zinc/79/48/01/660794801.db2.gz GOJFBRUSCKSDBE-UHFFFAOYSA-N -1 0 352.372 -0.690 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cnc2c(C)cccn2c1=O ZINC000773786963 660794968 /nfs/dbraw/zinc/79/49/68/660794968.db2.gz RTLIVRCCBVHSRT-UHFFFAOYSA-N -1 0 354.388 -0.444 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cnc2c(C)cccn2c1=O ZINC000773804283 660795116 /nfs/dbraw/zinc/79/51/16/660795116.db2.gz UKVUAGWSWFFYQN-UHFFFAOYSA-N -1 0 369.399 -0.274 20 0 FBADRM CS(=O)(=O)CCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000773850452 660795303 /nfs/dbraw/zinc/79/53/03/660795303.db2.gz IAPDITLLILBANM-UHFFFAOYSA-N -1 0 356.372 -0.596 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2)S(C)(=O)=O ZINC000773893221 660795393 /nfs/dbraw/zinc/79/53/93/660795393.db2.gz MBIAAGHAMJXQRE-UHFFFAOYSA-N -1 0 362.429 -0.292 20 0 FBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000773895909 660795361 /nfs/dbraw/zinc/79/53/61/660795361.db2.gz AHZHADQTEASFDG-UHFFFAOYSA-N -1 0 374.440 -0.148 20 0 FBADRM NC(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)nn1 ZINC000773901973 660795770 /nfs/dbraw/zinc/79/57/70/660795770.db2.gz JNWGAPDRCLRSHB-UHFFFAOYSA-N -1 0 365.371 -0.793 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000773903803 660795853 /nfs/dbraw/zinc/79/58/53/660795853.db2.gz QNQRRRAZSJYNLE-UHFFFAOYSA-N -1 0 356.400 -0.079 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c(=O)[nH]c1=O ZINC000773908333 660795815 /nfs/dbraw/zinc/79/58/15/660795815.db2.gz IURSEMJSJOVVCT-UHFFFAOYSA-N -1 0 365.367 -0.070 20 0 FBADRM CCOCCO[N-]C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000773918818 660795746 /nfs/dbraw/zinc/79/57/46/660795746.db2.gz NRIRRBYNENTARM-UHFFFAOYSA-N -1 0 359.360 -0.674 20 0 FBADRM CCOCCO[N-]C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000773918969 660795717 /nfs/dbraw/zinc/79/57/17/660795717.db2.gz RYFPWIDCMYZCEZ-UHFFFAOYSA-N -1 0 373.431 -0.249 20 0 FBADRM CCS(=O)(=O)CCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000773923446 660795807 /nfs/dbraw/zinc/79/58/07/660795807.db2.gz RSIYHIUYIYZQRL-UHFFFAOYSA-N -1 0 370.399 -0.206 20 0 FBADRM CN(CCS(C)(=O)=O)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000773931720 660795669 /nfs/dbraw/zinc/79/56/69/660795669.db2.gz MUGIODFDXDWUTF-UHFFFAOYSA-N -1 0 370.399 -0.254 20 0 FBADRM COCc1nc(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)co1 ZINC000773934511 660796132 /nfs/dbraw/zinc/79/61/32/660796132.db2.gz AOCCSSITBPHQKG-UHFFFAOYSA-N -1 0 364.343 -0.085 20 0 FBADRM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)cc1 ZINC000773935382 660795993 /nfs/dbraw/zinc/79/59/93/660795993.db2.gz SXVSGHPLPQAFLH-UHFFFAOYSA-N -1 0 367.387 -0.331 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)nn1C ZINC000773937814 660796218 /nfs/dbraw/zinc/79/62/18/660796218.db2.gz NMPBNWQIECXVIE-UHFFFAOYSA-N -1 0 363.359 -0.477 20 0 FBADRM Cn1nccc1CCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000773939242 660796081 /nfs/dbraw/zinc/79/60/81/660796081.db2.gz SZYJYCGBBYMVBW-UHFFFAOYSA-N -1 0 361.387 -0.167 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)[N-]S(=O)(=O)c3cccnc3)cnc21 ZINC000773940937 660796075 /nfs/dbraw/zinc/79/60/75/660796075.db2.gz JNKQPYFUQKZSCK-UHFFFAOYSA-N -1 0 361.339 -0.452 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)c2ncccc2C(=O)N(C)C)nn1C ZINC000773943785 660796110 /nfs/dbraw/zinc/79/61/10/660796110.db2.gz NRAQDQRPAFGGJS-UHFFFAOYSA-N -1 0 367.387 -0.356 20 0 FBADRM CN(C)c1cc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)ccn1 ZINC000773944796 660796204 /nfs/dbraw/zinc/79/62/04/660796204.db2.gz DMXJGWMMHDMXDK-UHFFFAOYSA-N -1 0 351.388 -0.296 20 0 FBADRM COc1ncc(/C=C\C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cn1 ZINC000773946818 660796054 /nfs/dbraw/zinc/79/60/54/660796054.db2.gz MRGKHTXLXRUCPA-ARJAWSKDSA-N -1 0 365.371 -0.559 20 0 FBADRM COc1ncc(/C=C/C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cn1 ZINC000773946821 660796241 /nfs/dbraw/zinc/79/62/41/660796241.db2.gz MRGKHTXLXRUCPA-ONEGZZNKSA-N -1 0 365.371 -0.559 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1=O ZINC000773957423 660796210 /nfs/dbraw/zinc/79/62/10/660796210.db2.gz UJSICDHGIJAHGP-LLVKDONJSA-N -1 0 351.384 -0.146 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1=O ZINC000773957427 660796184 /nfs/dbraw/zinc/79/61/84/660796184.db2.gz UJSICDHGIJAHGP-NSHDSACASA-N -1 0 351.384 -0.146 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CN2CCN(c3ccccn3)CC2)cn1 ZINC000773959266 660796244 /nfs/dbraw/zinc/79/62/44/660796244.db2.gz IKBURONODIOWCG-UHFFFAOYSA-N -1 0 364.431 -0.558 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)nn1C ZINC000773986543 660796428 /nfs/dbraw/zinc/79/64/28/660796428.db2.gz BXTXUTXOKAELOA-UHFFFAOYSA-N -1 0 373.412 -0.049 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)C1=O ZINC000773988153 660796469 /nfs/dbraw/zinc/79/64/69/660796469.db2.gz RILWHKOUVGUUKO-LLVKDONJSA-N -1 0 364.387 -0.840 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)C1=O ZINC000773988176 660796348 /nfs/dbraw/zinc/79/63/48/660796348.db2.gz RILWHKOUVGUUKO-NSHDSACASA-N -1 0 364.387 -0.840 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1=O ZINC000773988938 660796563 /nfs/dbraw/zinc/79/65/63/660796563.db2.gz YNUOCBRRSOQKLA-LLVKDONJSA-N -1 0 360.413 -0.627 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1=O ZINC000773988943 660796380 /nfs/dbraw/zinc/79/63/80/660796380.db2.gz YNUOCBRRSOQKLA-NSHDSACASA-N -1 0 360.413 -0.627 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)[N-]S(=O)(=O)N3CCCC3)cnc21 ZINC000773997197 660796366 /nfs/dbraw/zinc/79/63/66/660796366.db2.gz BLOKFGSCRXUMDW-UHFFFAOYSA-N -1 0 353.360 -0.896 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cc(OC)n(C)n2)CC1 ZINC000773997308 660796555 /nfs/dbraw/zinc/79/65/55/660796555.db2.gz CJLCXAMZOAHLKJ-UHFFFAOYSA-N -1 0 360.392 -0.712 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CCc2ccnn2C)CC1 ZINC000773997346 660796476 /nfs/dbraw/zinc/79/64/76/660796476.db2.gz CSRIORMZQOSHAI-UHFFFAOYSA-N -1 0 358.420 -0.401 20 0 FBADRM O=C(CN1CCN(c2ccccn2)CC1)[N-]S(=O)(=O)N1CCCC1 ZINC000773999042 660796594 /nfs/dbraw/zinc/79/65/94/660796594.db2.gz PLHKBSPTIYGQBC-UHFFFAOYSA-N -1 0 353.448 -0.340 20 0 FBADRM COCc1nc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)OC)CC2)co1 ZINC000773999121 660796623 /nfs/dbraw/zinc/79/66/23/660796623.db2.gz TUWAECSKMLNWCY-UHFFFAOYSA-N -1 0 361.376 -0.319 20 0 FBADRM CCOc1nc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)OC)CC2)co1 ZINC000773999139 660796394 /nfs/dbraw/zinc/79/63/94/660796394.db2.gz UFUDEYRJQLLDOY-UHFFFAOYSA-N -1 0 361.376 -0.067 20 0 FBADRM C[C@H](CN(C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1nnn[n-]1 ZINC000773999449 660796504 /nfs/dbraw/zinc/79/65/04/660796504.db2.gz RRVABNOJCQSFGZ-SECBINFHSA-N -1 0 364.387 -0.394 20 0 FBADRM C[C@@H](CN(C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1nnn[n-]1 ZINC000773999450 660796536 /nfs/dbraw/zinc/79/65/36/660796536.db2.gz RRVABNOJCQSFGZ-VIFPVBQESA-N -1 0 364.387 -0.394 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)[N-]S(=O)(=O)N3CCCCC3)cnc21 ZINC000774003055 660796618 /nfs/dbraw/zinc/79/66/18/660796618.db2.gz FBBWDNVKOIFLAH-UHFFFAOYSA-N -1 0 367.387 -0.505 20 0 FBADRM COc1ccc(-c2nnc(S(=O)(=O)[C@@H]3CS(=O)(=O)C[C@H]3O)[n-]2)cc1 ZINC000774003348 660796584 /nfs/dbraw/zinc/79/65/84/660796584.db2.gz DHDRTYXBCRXPDA-GHMZBOCLSA-N -1 0 373.412 -0.588 20 0 FBADRM COc1ccc(-c2nnc(S(=O)(=O)[C@H]3CS(=O)(=O)C[C@H]3O)[n-]2)cc1 ZINC000774003349 660796412 /nfs/dbraw/zinc/79/64/12/660796412.db2.gz DHDRTYXBCRXPDA-MNOVXSKESA-N -1 0 373.412 -0.588 20 0 FBADRM COc1ccc(-c2nnc(S(=O)(=O)[C@H]3CS(=O)(=O)C[C@@H]3O)[n-]2)cc1 ZINC000774003350 660796447 /nfs/dbraw/zinc/79/64/47/660796447.db2.gz DHDRTYXBCRXPDA-QWRGUYRKSA-N -1 0 373.412 -0.588 20 0 FBADRM COc1ccc(-c2nnc(S(=O)(=O)[C@@H]3CS(=O)(=O)C[C@@H]3O)[n-]2)cc1 ZINC000774003352 660796483 /nfs/dbraw/zinc/79/64/83/660796483.db2.gz DHDRTYXBCRXPDA-WDEREUQCSA-N -1 0 373.412 -0.588 20 0 FBADRM Cc1ccc(-c2nnc(S(=O)(=O)[C@@H]3CS(=O)(=O)C[C@H]3O)[n-]2)cc1 ZINC000774007700 660796927 /nfs/dbraw/zinc/79/69/27/660796927.db2.gz WSBMVWPRFKATJM-GHMZBOCLSA-N -1 0 357.413 -0.288 20 0 FBADRM Cc1ccc(-c2nnc(S(=O)(=O)[C@H]3CS(=O)(=O)C[C@H]3O)[n-]2)cc1 ZINC000774007701 660796806 /nfs/dbraw/zinc/79/68/06/660796806.db2.gz WSBMVWPRFKATJM-MNOVXSKESA-N -1 0 357.413 -0.288 20 0 FBADRM Cc1ccc(-c2nnc(S(=O)(=O)[C@H]3CS(=O)(=O)C[C@@H]3O)[n-]2)cc1 ZINC000774007702 660796695 /nfs/dbraw/zinc/79/66/95/660796695.db2.gz WSBMVWPRFKATJM-QWRGUYRKSA-N -1 0 357.413 -0.288 20 0 FBADRM Cc1ccc(-c2nnc(S(=O)(=O)[C@@H]3CS(=O)(=O)C[C@@H]3O)[n-]2)cc1 ZINC000774007704 660796865 /nfs/dbraw/zinc/79/68/65/660796865.db2.gz WSBMVWPRFKATJM-WDEREUQCSA-N -1 0 357.413 -0.288 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccc(CNC(N)=O)cc2)nn1C ZINC000774014990 660796753 /nfs/dbraw/zinc/79/67/53/660796753.db2.gz LWSIJTQAIJQCSE-UHFFFAOYSA-N -1 0 367.387 -0.284 20 0 FBADRM O=S(=O)(c1nc(-c2ccccc2F)n[n-]1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000774015309 660796756 /nfs/dbraw/zinc/79/67/56/660796756.db2.gz ASIJAEUAHDLJEI-NXEZZACHSA-N -1 0 361.376 -0.458 20 0 FBADRM O=S(=O)(c1nc(-c2ccccc2F)n[n-]1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000774015310 660796730 /nfs/dbraw/zinc/79/67/30/660796730.db2.gz ASIJAEUAHDLJEI-UWVGGRQHSA-N -1 0 361.376 -0.458 20 0 FBADRM O=S(=O)(c1nc(-c2ccccc2F)n[n-]1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000774015311 660796845 /nfs/dbraw/zinc/79/68/45/660796845.db2.gz ASIJAEUAHDLJEI-VHSXEESVSA-N -1 0 361.376 -0.458 20 0 FBADRM O=S(=O)(c1nc(-c2ccccc2F)n[n-]1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000774015312 660796914 /nfs/dbraw/zinc/79/69/14/660796914.db2.gz ASIJAEUAHDLJEI-ZJUUUORDSA-N -1 0 361.376 -0.458 20 0 FBADRM COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C2=O)cc1 ZINC000774027271 660796710 /nfs/dbraw/zinc/79/67/10/660796710.db2.gz ONZFMPMEHQFCCJ-GFCCVEGCSA-N -1 0 354.384 -0.103 20 0 FBADRM COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C2=O)cc1 ZINC000774027272 660796802 /nfs/dbraw/zinc/79/68/02/660796802.db2.gz ONZFMPMEHQFCCJ-LBPRGKRZSA-N -1 0 354.384 -0.103 20 0 FBADRM Cc1ccn(CC(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c(=O)c1 ZINC000774030018 660796794 /nfs/dbraw/zinc/79/67/94/660796794.db2.gz PACLUJQHTNFTOO-UHFFFAOYSA-N -1 0 352.372 -0.901 20 0 FBADRM O=C([O-])c1ccc(C(=O)NCCS(=O)(=O)N2CCOCC2)c(F)c1 ZINC000774047789 660797159 /nfs/dbraw/zinc/79/71/59/660797159.db2.gz IWUFYCKANAXZSV-UHFFFAOYSA-N -1 0 360.363 -0.084 20 0 FBADRM Cn1nccc1CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000774051789 660797148 /nfs/dbraw/zinc/79/71/48/660797148.db2.gz FCFKDMOVJTZUBR-UHFFFAOYSA-N -1 0 361.387 -0.342 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CCCCc2c[nH]nn2)CC1 ZINC000774051966 660797196 /nfs/dbraw/zinc/79/71/96/660797196.db2.gz JMGFAFZZXXDKRY-UHFFFAOYSA-N -1 0 373.435 -0.237 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)Cn2ccc(C)cc2=O)CC1 ZINC000774052381 660797129 /nfs/dbraw/zinc/79/71/29/660797129.db2.gz JNKQFYFFPPBIFL-UHFFFAOYSA-N -1 0 371.415 -0.597 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cc(OC)n(C)n1 ZINC000774070945 660797164 /nfs/dbraw/zinc/79/71/64/660797164.db2.gz KYUOUZIFIXWWCY-JTQLQIEISA-N -1 0 360.392 -0.569 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cc(OC)n(C)n1 ZINC000774071016 660797035 /nfs/dbraw/zinc/79/70/35/660797035.db2.gz KYUOUZIFIXWWCY-SNVBAGLBSA-N -1 0 360.392 -0.569 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000774071127 660797082 /nfs/dbraw/zinc/79/70/82/660797082.db2.gz MFLBQDNULOKTFS-UHFFFAOYSA-N -1 0 355.376 -0.651 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1coc(COC)n1 ZINC000774073360 660797187 /nfs/dbraw/zinc/79/71/87/660797187.db2.gz VWZOQHCSPXIMMM-JTQLQIEISA-N -1 0 361.376 -0.177 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1coc(COC)n1 ZINC000774073368 660797420 /nfs/dbraw/zinc/79/74/20/660797420.db2.gz VWZOQHCSPXIMMM-SNVBAGLBSA-N -1 0 361.376 -0.177 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCc1ccnn1C ZINC000774073748 660797342 /nfs/dbraw/zinc/79/73/42/660797342.db2.gz YFIHWKIDKMWLDC-GFCCVEGCSA-N -1 0 358.420 -0.259 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCc1ccnn1C ZINC000774073753 660797489 /nfs/dbraw/zinc/79/74/89/660797489.db2.gz YFIHWKIDKMWLDC-LBPRGKRZSA-N -1 0 358.420 -0.259 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)Cn1ccc(C)cc1=O ZINC000774077477 660797335 /nfs/dbraw/zinc/79/73/35/660797335.db2.gz DEIIUQJIVJPRSV-GFCCVEGCSA-N -1 0 371.415 -0.455 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)Cn1ccc(C)cc1=O ZINC000774077515 660797476 /nfs/dbraw/zinc/79/74/76/660797476.db2.gz DEIIUQJIVJPRSV-LBPRGKRZSA-N -1 0 371.415 -0.455 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCCCc1c[nH]nn1 ZINC000774080932 660797478 /nfs/dbraw/zinc/79/74/78/660797478.db2.gz UKANDXMDQWQYHU-GFCCVEGCSA-N -1 0 373.435 -0.094 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCCCc1c[nH]nn1 ZINC000774080934 660797382 /nfs/dbraw/zinc/79/73/82/660797382.db2.gz UKANDXMDQWQYHU-LBPRGKRZSA-N -1 0 373.435 -0.094 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)nn1C ZINC000774082113 660797488 /nfs/dbraw/zinc/79/74/88/660797488.db2.gz AYTKKOALKSCQGS-UHFFFAOYSA-N -1 0 352.372 -0.045 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000774083196 660797388 /nfs/dbraw/zinc/79/73/88/660797388.db2.gz BPOKQBFZZXHESZ-UHFFFAOYSA-N -1 0 356.360 -0.870 20 0 FBADRM O=C(CN1CCN(c2ccccn2)CC1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000774085583 660797328 /nfs/dbraw/zinc/79/73/28/660797328.db2.gz FTSXAPXIKQQESC-CYBMUJFWSA-N -1 0 354.432 -0.562 20 0 FBADRM O=C(CN1CCN(c2ccccn2)CC1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000774085594 660797444 /nfs/dbraw/zinc/79/74/44/660797444.db2.gz FTSXAPXIKQQESC-ZDUSSCGKSA-N -1 0 354.432 -0.562 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)CN1CCN(c2ccccn2)CC1 ZINC000774085721 660797351 /nfs/dbraw/zinc/79/73/51/660797351.db2.gz RUUKTOUIZKULME-UHFFFAOYSA-N -1 0 356.448 -0.314 20 0 FBADRM Cc1ccn(CC(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)c(=O)c1 ZINC000774086229 660797393 /nfs/dbraw/zinc/79/73/93/660797393.db2.gz WZKPOCSWPIBDQV-UHFFFAOYSA-N -1 0 355.397 -0.178 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CN1CCN(c2ccccn2)CC1 ZINC000774087015 660797377 /nfs/dbraw/zinc/79/73/77/660797377.db2.gz MJTRAPZHLHGQJJ-CYBMUJFWSA-N -1 0 356.448 -0.316 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CN1CCN(c2ccccn2)CC1 ZINC000774087016 660797441 /nfs/dbraw/zinc/79/74/41/660797441.db2.gz MJTRAPZHLHGQJJ-ZDUSSCGKSA-N -1 0 356.448 -0.316 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000774087737 660797484 /nfs/dbraw/zinc/79/74/84/660797484.db2.gz WBIHJQUABSGJFI-SSDOTTSWSA-N -1 0 356.360 -0.871 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000774087740 660797483 /nfs/dbraw/zinc/79/74/83/660797483.db2.gz WBIHJQUABSGJFI-ZETCQYMHSA-N -1 0 356.360 -0.871 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1=O ZINC000774093680 660797302 /nfs/dbraw/zinc/79/73/02/660797302.db2.gz HSCKHUPXJOWWDZ-LLVKDONJSA-N -1 0 351.384 -0.744 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1=O ZINC000774093683 660797424 /nfs/dbraw/zinc/79/74/24/660797424.db2.gz HSCKHUPXJOWWDZ-NSHDSACASA-N -1 0 351.384 -0.744 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000774093727 660797471 /nfs/dbraw/zinc/79/74/71/660797471.db2.gz IJBCJBCBXDFVDL-LLVKDONJSA-N -1 0 360.413 -0.627 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000774093729 660797550 /nfs/dbraw/zinc/79/75/50/660797550.db2.gz IJBCJBCBXDFVDL-NSHDSACASA-N -1 0 360.413 -0.627 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)nn1C ZINC000774097374 660797590 /nfs/dbraw/zinc/79/75/90/660797590.db2.gz ZJOWTSSVUUZGKQ-UHFFFAOYSA-N -1 0 364.383 -0.167 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)[N-]S(=O)(=O)c3ccccn3)cnc21 ZINC000774102338 660797636 /nfs/dbraw/zinc/79/76/36/660797636.db2.gz VXYJJOWRVWVBRH-UHFFFAOYSA-N -1 0 361.339 -0.452 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)nn1C ZINC000774103180 660797544 /nfs/dbraw/zinc/79/75/44/660797544.db2.gz ZAIBECZNSXSXBF-UHFFFAOYSA-N -1 0 373.412 -0.049 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c(-c2ccncc2)n1 ZINC000774106196 660797730 /nfs/dbraw/zinc/79/77/30/660797730.db2.gz OHNOQVATWHWPTN-UHFFFAOYSA-N -1 0 351.388 -0.211 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)cnc21 ZINC000774115146 660797605 /nfs/dbraw/zinc/79/76/05/660797605.db2.gz MBHFOBPWKORTSI-UHFFFAOYSA-N -1 0 366.277 -0.344 20 0 FBADRM O=C(CN1CCN(c2ccccn2)CC1)[N-]S(=O)(=O)Cc1ccon1 ZINC000774132012 660797650 /nfs/dbraw/zinc/79/76/50/660797650.db2.gz WULSJMKRZXULGX-UHFFFAOYSA-N -1 0 365.415 -0.162 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)CCCCc2c[nH]nn2)s1 ZINC000774158161 660798036 /nfs/dbraw/zinc/79/80/36/660798036.db2.gz QWLWCTWKBQBPDT-UHFFFAOYSA-N -1 0 373.420 -0.168 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)Cn2ccc(C)cc2=O)s1 ZINC000774158870 660797845 /nfs/dbraw/zinc/79/78/45/660797845.db2.gz USRFHNYOBVODLK-UHFFFAOYSA-N -1 0 371.400 -0.528 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000774171705 660797959 /nfs/dbraw/zinc/79/79/59/660797959.db2.gz BISVRHOPTGNBDJ-UHFFFAOYSA-N -1 0 355.376 -0.650 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CN1CCN(c2ccccn2)CC1 ZINC000774172507 660798108 /nfs/dbraw/zinc/79/81/08/660798108.db2.gz FPQWMKAGFYAGSC-UHFFFAOYSA-N -1 0 371.463 -0.857 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)CN1CCN(c2ccccn2)CC1 ZINC000774173808 660798009 /nfs/dbraw/zinc/79/80/09/660798009.db2.gz NLSWXNCSEQMCDD-UHFFFAOYSA-N -1 0 355.464 -0.094 20 0 FBADRM O=C(CN1CCN(c2ccccn2)CC1)[N-]S(=O)(=O)c1cnccn1 ZINC000774178211 660797953 /nfs/dbraw/zinc/79/79/53/660797953.db2.gz YBRIFZDDAAKOER-UHFFFAOYSA-N -1 0 362.415 -0.501 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)CC(N)=O)nnn1Cc1ccc(F)cc1 ZINC000774198598 660798524 /nfs/dbraw/zinc/79/85/24/660798524.db2.gz BYMBRPSAGGEPMD-UHFFFAOYSA-N -1 0 355.351 -0.681 20 0 FBADRM CCCCS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000774198656 660798627 /nfs/dbraw/zinc/79/86/27/660798627.db2.gz CMVBIHSFXFTJIC-UHFFFAOYSA-N -1 0 362.429 -0.195 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000774199997 660798545 /nfs/dbraw/zinc/79/85/45/660798545.db2.gz HNLJKAQJMUHBDQ-GFCCVEGCSA-N -1 0 369.399 -0.424 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000774199999 660798464 /nfs/dbraw/zinc/79/84/64/660798464.db2.gz HNLJKAQJMUHBDQ-LBPRGKRZSA-N -1 0 369.399 -0.424 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)Cn1ccc(C)cc1=O ZINC000774200198 660798559 /nfs/dbraw/zinc/79/85/59/660798559.db2.gz HVYSXJYIRAFAAV-UHFFFAOYSA-N -1 0 371.396 -0.095 20 0 FBADRM Cc1c(Br)cc(C(=O)[N-]S(=O)(=O)CC(N)=O)c(=O)n1C ZINC000774203137 660798610 /nfs/dbraw/zinc/79/86/10/660798610.db2.gz RTTYQVXEIMRFGO-UHFFFAOYSA-N -1 0 366.193 -0.999 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccnc(-n2ccnc2)c1 ZINC000774203959 660798581 /nfs/dbraw/zinc/79/85/81/660798581.db2.gz DWDSKPNXEJCRHB-UHFFFAOYSA-N -1 0 354.388 -0.010 20 0 FBADRM Cn1nccc1CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000774212413 660798548 /nfs/dbraw/zinc/79/85/48/660798548.db2.gz ISAKUYVWZOUVJM-UHFFFAOYSA-N -1 0 363.399 -0.342 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)Cn2ccc(C)cc2=O)c(C)nn1C ZINC000774223043 660798836 /nfs/dbraw/zinc/79/88/36/660798836.db2.gz IORGUUFRBCDNDM-UHFFFAOYSA-N -1 0 354.388 -0.288 20 0 FBADRM Cc1ccnc(-n2cc(S(=O)(=O)[N-]C(=O)[C@H]3CCN(C)C3=O)cn2)c1 ZINC000774224700 660798865 /nfs/dbraw/zinc/79/88/65/660798865.db2.gz IKPLJGVIGZCIRU-GFCCVEGCSA-N -1 0 363.399 -0.141 20 0 FBADRM Cc1ccnc(-n2cc(S(=O)(=O)[N-]C(=O)[C@@H]3CCN(C)C3=O)cn2)c1 ZINC000774224715 660798907 /nfs/dbraw/zinc/79/89/07/660798907.db2.gz IKPLJGVIGZCIRU-LBPRGKRZSA-N -1 0 363.399 -0.141 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)[N-]S(=O)(=O)CC3CCC3)cnc21 ZINC000774235611 660798909 /nfs/dbraw/zinc/79/89/09/660798909.db2.gz BCLJNXFPVUHONK-UHFFFAOYSA-N -1 0 352.372 -0.106 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)nn1C ZINC000774239945 660799269 /nfs/dbraw/zinc/79/92/69/660799269.db2.gz GAQDDJRVEOWYAK-UHFFFAOYSA-N -1 0 360.377 -0.643 20 0 FBADRM O=C(CN1CCN(c2ccccn2)CC1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000774252602 660799160 /nfs/dbraw/zinc/79/91/60/660799160.db2.gz CTKISOPJTBLXHF-AWEZNQCLSA-N -1 0 368.459 -0.314 20 0 FBADRM O=C(CN1CCN(c2ccccn2)CC1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000774252607 660799220 /nfs/dbraw/zinc/79/92/20/660799220.db2.gz CTKISOPJTBLXHF-CQSZACIVSA-N -1 0 368.459 -0.314 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C2=O)nc1 ZINC000774252900 660799470 /nfs/dbraw/zinc/79/94/70/660799470.db2.gz XOOCJNZXEASRIU-JTQLQIEISA-N -1 0 355.372 -0.459 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C2=O)nc1 ZINC000774252903 660799518 /nfs/dbraw/zinc/79/95/18/660799518.db2.gz XOOCJNZXEASRIU-SNVBAGLBSA-N -1 0 355.372 -0.459 20 0 FBADRM Cn1nccc1CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000774257463 660799558 /nfs/dbraw/zinc/79/95/58/660799558.db2.gz IRULOSFRELLHEL-UHFFFAOYSA-N -1 0 362.367 -0.307 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)C2CCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000774285904 660799583 /nfs/dbraw/zinc/79/95/83/660799583.db2.gz UADJVHYTPNWCIG-UHFFFAOYSA-N -1 0 366.399 -0.447 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc(OC)n(C)n2)cc1 ZINC000774290336 660799548 /nfs/dbraw/zinc/79/95/48/660799548.db2.gz ZPESLLUNJHEUCK-UHFFFAOYSA-N -1 0 352.372 -0.093 20 0 FBADRM O=C(CN1CCN(c2ccccn2)CC1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000774296893 660799818 /nfs/dbraw/zinc/79/98/18/660799818.db2.gz LJAIGKZZRROTDT-AWEZNQCLSA-N -1 0 368.459 -0.171 20 0 FBADRM O=C(CN1CCN(c2ccccn2)CC1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000774296895 660799768 /nfs/dbraw/zinc/79/97/68/660799768.db2.gz LJAIGKZZRROTDT-CQSZACIVSA-N -1 0 368.459 -0.171 20 0 FBADRM O=C(CN1C(=O)c2ccccc2S1(=O)=O)[N-]S(=O)(=O)C1CCC1 ZINC000774302237 660799782 /nfs/dbraw/zinc/79/97/82/660799782.db2.gz VIWVGSSIRBPQRR-UHFFFAOYSA-N -1 0 358.397 -0.170 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)[N-]S(=O)(=O)C[C@H]3CCCO3)cnc21 ZINC000774302700 660799779 /nfs/dbraw/zinc/79/97/79/660799779.db2.gz IVEKBMUHKNKIMT-SECBINFHSA-N -1 0 368.371 -0.727 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)[N-]S(=O)(=O)C[C@@H]3CCCO3)cnc21 ZINC000774302701 660799898 /nfs/dbraw/zinc/79/98/98/660799898.db2.gz IVEKBMUHKNKIMT-VIFPVBQESA-N -1 0 368.371 -0.727 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)C2CCC2)cc1 ZINC000774303447 660799901 /nfs/dbraw/zinc/79/99/01/660799901.db2.gz CFDDLYXXFMLVOE-UHFFFAOYSA-N -1 0 360.413 -0.442 20 0 FBADRM O=C(CN1CCN(c2ccccn2)CC1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000774307043 660799760 /nfs/dbraw/zinc/79/97/60/660799760.db2.gz ZYCBMERAUHYXNN-AWEZNQCLSA-N -1 0 368.459 -0.171 20 0 FBADRM O=C(CN1CCN(c2ccccn2)CC1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000774307045 660799806 /nfs/dbraw/zinc/79/98/06/660799806.db2.gz ZYCBMERAUHYXNN-CQSZACIVSA-N -1 0 368.459 -0.171 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)c1cc(OC)n(C)n1 ZINC000774367993 660800168 /nfs/dbraw/zinc/80/01/68/660800168.db2.gz UZHRKNPLUHXROX-UHFFFAOYSA-N -1 0 360.373 -0.210 20 0 FBADRM COc1cc(OC)cc(S(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O)c1 ZINC000774406275 660800304 /nfs/dbraw/zinc/80/03/04/660800304.db2.gz PAPRIYXGFOEPBN-UHFFFAOYSA-N -1 0 366.417 -0.600 20 0 FBADRM COc1cc(OC)cc(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)c1 ZINC000774407443 660800341 /nfs/dbraw/zinc/80/03/41/660800341.db2.gz XTFQQJJLVFBKML-UHFFFAOYSA-N -1 0 356.360 -0.896 20 0 FBADRM COc1cc(OC)cc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)[nH]c2=O)c1 ZINC000774413636 660800254 /nfs/dbraw/zinc/80/02/54/660800254.db2.gz UYVGLDMXRHLMJP-UHFFFAOYSA-N -1 0 369.355 -0.378 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000774424842 660800625 /nfs/dbraw/zinc/80/06/25/660800625.db2.gz YTZJWEHFQMHQQO-UHFFFAOYSA-N -1 0 360.388 -0.387 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CN1CCN(c2ccccn2)CC1 ZINC000774484014 660801276 /nfs/dbraw/zinc/80/12/76/660801276.db2.gz RQMXRUOCAZXKRB-UHFFFAOYSA-N -1 0 364.431 -0.558 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000774484940 660801248 /nfs/dbraw/zinc/80/12/48/660801248.db2.gz VBSGCVFTHBSFLS-UHFFFAOYSA-N -1 0 370.387 -0.480 20 0 FBADRM CCc1ccc(CS(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)cc1 ZINC000774544811 660801508 /nfs/dbraw/zinc/80/15/08/660801508.db2.gz ZYXYXWLEFHGTSK-UHFFFAOYSA-N -1 0 351.388 -0.414 20 0 FBADRM CCN(CCCNC(=O)C(F)(F)F)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000774545601 660801365 /nfs/dbraw/zinc/80/13/65/660801365.db2.gz DWSGHBJVFJKJSH-JTQLQIEISA-N -1 0 373.397 -0.320 20 0 FBADRM CCN(CCCNC(=O)C(F)(F)F)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000774545603 660801558 /nfs/dbraw/zinc/80/15/58/660801558.db2.gz DWSGHBJVFJKJSH-SNVBAGLBSA-N -1 0 373.397 -0.320 20 0 FBADRM CCc1ccc(CS(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000774550348 660801455 /nfs/dbraw/zinc/80/14/55/660801455.db2.gz HFHACDXQHMICNA-UHFFFAOYSA-N -1 0 365.411 -0.094 20 0 FBADRM CCc1ccc(CS(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)cc1 ZINC000774552469 660801837 /nfs/dbraw/zinc/80/18/37/660801837.db2.gz WSMCDUGQCISBBC-UHFFFAOYSA-N -1 0 365.411 -0.244 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])CC1 ZINC000774623183 660802031 /nfs/dbraw/zinc/80/20/31/660802031.db2.gz WVXBLFIHAOGPGB-UHFFFAOYSA-N -1 0 361.380 -0.451 20 0 FBADRM COCCO[N-]C(=O)C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000774806152 660803822 /nfs/dbraw/zinc/80/38/22/660803822.db2.gz HHARMXATTPFCNV-GFCCVEGCSA-N -1 0 357.432 -0.068 20 0 FBADRM COCCO[N-]C(=O)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000774806169 660803845 /nfs/dbraw/zinc/80/38/45/660803845.db2.gz HHARMXATTPFCNV-LBPRGKRZSA-N -1 0 357.432 -0.068 20 0 FBADRM COCCO[N-]C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000774863466 660804262 /nfs/dbraw/zinc/80/42/62/660804262.db2.gz QZBKLAYJYOUYCD-HNNXBMFYSA-N -1 0 351.403 -0.302 20 0 FBADRM COCCO[N-]C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000774863468 660804388 /nfs/dbraw/zinc/80/43/88/660804388.db2.gz QZBKLAYJYOUYCD-OAHLLOKOSA-N -1 0 351.403 -0.302 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCc2n[nH]c(=O)[n-]2)cc1 ZINC000774877894 660804802 /nfs/dbraw/zinc/80/48/02/660804802.db2.gz ISIRRXSWBQIFKL-UHFFFAOYSA-N -1 0 354.344 -0.265 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2n[nH]c(=O)[n-]2)cc1 ZINC000774879884 660804676 /nfs/dbraw/zinc/80/46/76/660804676.db2.gz VJAQEPYANUTWDD-QMMMGPOBSA-N -1 0 356.360 -0.071 20 0 FBADRM O=C(OCc1n[nH]c(=O)[n-]1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000774887418 660804731 /nfs/dbraw/zinc/80/47/31/660804731.db2.gz REGSXLYAHQKNPK-UHFFFAOYSA-N -1 0 368.371 -0.112 20 0 FBADRM O=C(OCc1n[nH]c(=O)[n-]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000774889954 660804752 /nfs/dbraw/zinc/80/47/52/660804752.db2.gz PORRCCSXLFFNHN-UHFFFAOYSA-N -1 0 368.371 -0.112 20 0 FBADRM COc1cc(C(=O)OCc2n[nH]c(=O)[n-]2)cc(OC)c1OCC(N)=O ZINC000774895406 660804775 /nfs/dbraw/zinc/80/47/75/660804775.db2.gz SWOURILFFBAFAE-UHFFFAOYSA-N -1 0 352.303 -0.251 20 0 FBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774897139 660804613 /nfs/dbraw/zinc/80/46/13/660804613.db2.gz QVHDRORHINBPRR-UHFFFAOYSA-N -1 0 357.310 -0.102 20 0 FBADRM O=C(CCNS(=O)(=O)c1ccc(Cl)nc1)OCc1n[nH]c(=O)[n-]1 ZINC000774898343 660805076 /nfs/dbraw/zinc/80/50/76/660805076.db2.gz SQGBGKOEJMZKSS-UHFFFAOYSA-N -1 0 361.767 -0.030 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCc2n[nH]c(=O)[n-]2)cc1 ZINC000774903689 660805019 /nfs/dbraw/zinc/80/50/19/660805019.db2.gz YPWNUNJDGVFXFF-UHFFFAOYSA-N -1 0 369.359 -0.510 20 0 FBADRM CN(CC(=O)OCc1n[nH]c(=O)[n-]1)C1=NS(=O)(=O)c2ccccc21 ZINC000774906857 660804932 /nfs/dbraw/zinc/80/49/32/660804932.db2.gz FFUCJILUFSKMTH-UHFFFAOYSA-N -1 0 351.344 -0.366 20 0 FBADRM CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000774907376 660804964 /nfs/dbraw/zinc/80/49/64/660804964.db2.gz ASRHXBJPXFNWHP-MRVPVSSYSA-N -1 0 354.388 -0.794 20 0 FBADRM CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000774907383 660805073 /nfs/dbraw/zinc/80/50/73/660805073.db2.gz ASRHXBJPXFNWHP-QMMMGPOBSA-N -1 0 354.388 -0.794 20 0 FBADRM O=C(OCc1n[nH]c(=O)[n-]1)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000774907752 660804918 /nfs/dbraw/zinc/80/49/18/660804918.db2.gz FCOZJNQPGULPNT-UHFFFAOYSA-N -1 0 374.400 -0.050 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000774908180 660804996 /nfs/dbraw/zinc/80/49/96/660804996.db2.gz KWTIBUFXKMZOBQ-UHFFFAOYSA-N -1 0 371.375 -0.773 20 0 FBADRM COc1ccc(S(=O)(=O)NCC(=O)OCc2n[nH]c(=O)[n-]2)cc1OC ZINC000774908385 660805142 /nfs/dbraw/zinc/80/51/42/660805142.db2.gz FWMYNWSRIVDGFF-UHFFFAOYSA-N -1 0 372.359 -0.451 20 0 FBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000774912054 660804942 /nfs/dbraw/zinc/80/49/42/660804942.db2.gz VFPJSAZFBNZYET-UHFFFAOYSA-N -1 0 367.383 -0.365 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)OCCC[N-]C(=O)C(F)(F)F)cn1 ZINC000774912061 660804965 /nfs/dbraw/zinc/80/49/65/660804965.db2.gz AWSWDHVAKMTNCJ-UHFFFAOYSA-N -1 0 372.325 -0.690 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)cc1 ZINC000774912792 660805120 /nfs/dbraw/zinc/80/51/20/660805120.db2.gz HBEJDBVBDWTUQN-UHFFFAOYSA-N -1 0 356.360 -0.520 20 0 FBADRM C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)cc1 ZINC000774913092 660804983 /nfs/dbraw/zinc/80/49/83/660804983.db2.gz LBUXLMZFSFJDCP-MRVPVSSYSA-N -1 0 356.360 -0.474 20 0 FBADRM C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)cc1 ZINC000774913107 660805138 /nfs/dbraw/zinc/80/51/38/660805138.db2.gz LBUXLMZFSFJDCP-QMMMGPOBSA-N -1 0 356.360 -0.474 20 0 FBADRM Cn1ccc(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)n1 ZINC000774913233 660804974 /nfs/dbraw/zinc/80/49/74/660804974.db2.gz YZOOCYUUPJWRJC-UHFFFAOYSA-N -1 0 363.399 -0.342 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)cc1 ZINC000774914408 660805292 /nfs/dbraw/zinc/80/52/92/660805292.db2.gz ZWCMSEWFSVDGAB-UHFFFAOYSA-N -1 0 356.360 -0.208 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)OCc2n[nH]c(=O)[n-]2)c1 ZINC000774914671 660805284 /nfs/dbraw/zinc/80/52/84/660805284.db2.gz PEEWADAVESLKAS-UHFFFAOYSA-N -1 0 356.360 -0.208 20 0 FBADRM C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)cc1 ZINC000774915847 660805376 /nfs/dbraw/zinc/80/53/76/660805376.db2.gz YCZVKGGUXLLFSW-MRVPVSSYSA-N -1 0 356.360 -0.474 20 0 FBADRM C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)cc1 ZINC000774915849 660805353 /nfs/dbraw/zinc/80/53/53/660805353.db2.gz YCZVKGGUXLLFSW-QMMMGPOBSA-N -1 0 356.360 -0.474 20 0 FBADRM O=C(OCc1n[nH]c(=O)[n-]1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000774918292 660805195 /nfs/dbraw/zinc/80/51/95/660805195.db2.gz JSSJHWJFMPSLMW-UHFFFAOYSA-N -1 0 358.332 -0.519 20 0 FBADRM COCCOCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000774918774 660805247 /nfs/dbraw/zinc/80/52/47/660805247.db2.gz HXPHXFBQFYEIRZ-UHFFFAOYSA-N -1 0 371.415 -0.265 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)[C@@H]3CCC(=O)N3C)cc2n(C)c1=O ZINC000774919625 660805241 /nfs/dbraw/zinc/80/52/41/660805241.db2.gz CFECZSHCIYDSMM-NSHDSACASA-N -1 0 366.399 -0.697 20 0 FBADRM Cn1cc(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cn1 ZINC000774919670 660805313 /nfs/dbraw/zinc/80/53/13/660805313.db2.gz LYZDDKQRFWAGGD-UHFFFAOYSA-N -1 0 363.399 -0.342 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)nnn1C ZINC000774919814 660805345 /nfs/dbraw/zinc/80/53/45/660805345.db2.gz MTDXJPDKBKLMLU-UHFFFAOYSA-N -1 0 364.387 -0.567 20 0 FBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000774919923 660805308 /nfs/dbraw/zinc/80/53/08/660805308.db2.gz NJTPONXASYYFFW-SECBINFHSA-N -1 0 368.415 -0.403 20 0 FBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000774919924 660805278 /nfs/dbraw/zinc/80/52/78/660805278.db2.gz NJTPONXASYYFFW-VIFPVBQESA-N -1 0 368.415 -0.403 20 0 FBADRM O=C(OCc1n[nH]c(=O)[n-]1)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000774920214 660805338 /nfs/dbraw/zinc/80/53/38/660805338.db2.gz WKOJXRZBRWBPTE-UHFFFAOYSA-N -1 0 368.371 -0.112 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)C1=O ZINC000774920715 660805382 /nfs/dbraw/zinc/80/53/82/660805382.db2.gz RBOMRRQHCRFVHZ-JTQLQIEISA-N -1 0 366.399 -0.840 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)C1=O ZINC000774920728 660805227 /nfs/dbraw/zinc/80/52/27/660805227.db2.gz RBOMRRQHCRFVHZ-SNVBAGLBSA-N -1 0 366.399 -0.840 20 0 FBADRM COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000774921462 660805357 /nfs/dbraw/zinc/80/53/57/660805357.db2.gz UYBRUMFZCCCNNH-SECBINFHSA-N -1 0 369.399 -0.119 20 0 FBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000774921463 660805216 /nfs/dbraw/zinc/80/52/16/660805216.db2.gz UYBRUMFZCCCNNH-VIFPVBQESA-N -1 0 369.399 -0.119 20 0 FBADRM COCCCOCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000774921492 660805337 /nfs/dbraw/zinc/80/53/37/660805337.db2.gz WRMLEPVQYWMVHA-UHFFFAOYSA-N -1 0 371.415 -0.265 20 0 FBADRM CCOCCOCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000774922124 660805222 /nfs/dbraw/zinc/80/52/22/660805222.db2.gz IKUAZKJJMOHXOX-UHFFFAOYSA-N -1 0 371.415 -0.265 20 0 FBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000774922172 660805207 /nfs/dbraw/zinc/80/52/07/660805207.db2.gz JVFFDFRSBKVPDE-UHFFFAOYSA-N -1 0 356.360 -0.962 20 0 FBADRM COc1c(F)cc(CC(=O)OCc2n[nH]c(=O)[n-]2)cc1S(N)(=O)=O ZINC000774922304 660805365 /nfs/dbraw/zinc/80/53/65/660805365.db2.gz SOJGFPCVFJHHFB-UHFFFAOYSA-N -1 0 360.323 -0.409 20 0 FBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000774924131 660805362 /nfs/dbraw/zinc/80/53/62/660805362.db2.gz VBWWJOKHZMCYNR-QMMMGPOBSA-N -1 0 370.387 -0.574 20 0 FBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000774925067 660805529 /nfs/dbraw/zinc/80/55/29/660805529.db2.gz MDVJCEKYVMFHDD-UHFFFAOYSA-N -1 0 370.387 -0.572 20 0 FBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000774926125 660805558 /nfs/dbraw/zinc/80/55/58/660805558.db2.gz ODLQCCMDGMYMLN-UHFFFAOYSA-N -1 0 368.415 -0.402 20 0 FBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000774926139 660805618 /nfs/dbraw/zinc/80/56/18/660805618.db2.gz OLRLKIXQLDFFNI-UHFFFAOYSA-N -1 0 354.388 -0.840 20 0 FBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000774926890 660805482 /nfs/dbraw/zinc/80/54/82/660805482.db2.gz SENGIDNTBHUPRG-UHFFFAOYSA-N -1 0 370.387 -0.620 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)OCCC[N-]C(=O)C(F)(F)F)nn1 ZINC000774927439 660805572 /nfs/dbraw/zinc/80/55/72/660805572.db2.gz WFBRDBJONNNOBB-UHFFFAOYSA-N -1 0 351.285 -0.408 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)OCCC[N-]C(=O)C(F)(F)F)c1 ZINC000774936030 660805597 /nfs/dbraw/zinc/80/55/97/660805597.db2.gz VRBSLINATZZZDS-UHFFFAOYSA-N -1 0 358.298 -0.858 20 0 FBADRM O=C(OCc1n[nH]c(=O)[n-]1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000774936149 660805638 /nfs/dbraw/zinc/80/56/38/660805638.db2.gz HBXMSTPJAGXICO-UHFFFAOYSA-N -1 0 373.416 -0.067 20 0 FBADRM COCCOCC(=O)NC1CCC(C(=O)OCc2n[nH]c(=O)[n-]2)CC1 ZINC000774939733 660805654 /nfs/dbraw/zinc/80/56/54/660805654.db2.gz NNVWQRJYTBTLPE-UHFFFAOYSA-N -1 0 356.379 -0.109 20 0 FBADRM O=C(OCc1n[nH]c(=O)[n-]1)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1 ZINC000774939874 660805694 /nfs/dbraw/zinc/80/56/94/660805694.db2.gz PCTKAZLXBRNHCT-GHMZBOCLSA-N -1 0 350.306 -0.032 20 0 FBADRM O=C(OCc1n[nH]c(=O)[n-]1)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1 ZINC000774939875 660805534 /nfs/dbraw/zinc/80/55/34/660805534.db2.gz PCTKAZLXBRNHCT-MNOVXSKESA-N -1 0 350.306 -0.032 20 0 FBADRM O=C(OCc1n[nH]c(=O)[n-]1)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 ZINC000774939876 660805474 /nfs/dbraw/zinc/80/54/74/660805474.db2.gz PCTKAZLXBRNHCT-QWRGUYRKSA-N -1 0 350.306 -0.032 20 0 FBADRM O=C(OCc1n[nH]c(=O)[n-]1)[C@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 ZINC000774939877 660805620 /nfs/dbraw/zinc/80/56/20/660805620.db2.gz PCTKAZLXBRNHCT-WDEREUQCSA-N -1 0 350.306 -0.032 20 0 FBADRM O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)OCc1n[nH]c(=O)[n-]1 ZINC000774940704 660805677 /nfs/dbraw/zinc/80/56/77/660805677.db2.gz HVHUVFPNLMXGCT-UHFFFAOYSA-N -1 0 354.344 -0.438 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)OCc2n[nH]c(=O)[n-]2)C(=O)C1 ZINC000774958027 660806030 /nfs/dbraw/zinc/80/60/30/660806030.db2.gz BGFJFCXUGZBVJK-UHFFFAOYSA-N -1 0 355.351 -0.367 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000774958643 660806102 /nfs/dbraw/zinc/80/61/02/660806102.db2.gz CEOXTESVORKJJH-SSDOTTSWSA-N -1 0 358.380 -0.729 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000774958706 660806090 /nfs/dbraw/zinc/80/60/90/660806090.db2.gz CEOXTESVORKJJH-ZETCQYMHSA-N -1 0 358.380 -0.729 20 0 FBADRM CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)cc1 ZINC000774960239 660805910 /nfs/dbraw/zinc/80/59/10/660805910.db2.gz HRFVAQVVWPVMSX-UHFFFAOYSA-N -1 0 368.371 -0.271 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)OCCC[N-]C(=O)C(F)(F)F)c1 ZINC000774969184 660805952 /nfs/dbraw/zinc/80/59/52/660805952.db2.gz LYQJVNVIZNJQJY-UHFFFAOYSA-N -1 0 372.325 -0.690 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000774969815 660806118 /nfs/dbraw/zinc/80/61/18/660806118.db2.gz WCPJMGSIICGSAC-SSDOTTSWSA-N -1 0 369.359 -0.981 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000774969816 660806055 /nfs/dbraw/zinc/80/60/55/660806055.db2.gz WCPJMGSIICGSAC-ZETCQYMHSA-N -1 0 369.359 -0.981 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)OCCC[N-]C(=O)C(F)(F)F)cn1 ZINC000774988530 660806322 /nfs/dbraw/zinc/80/63/22/660806322.db2.gz LWDMVNWFDMMBLB-UHFFFAOYSA-N -1 0 355.294 -0.046 20 0 FBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000774998972 660806401 /nfs/dbraw/zinc/80/64/01/660806401.db2.gz SFRMLLDLUCUIPA-UHFFFAOYSA-N -1 0 354.356 -0.195 20 0 FBADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)c2cccc(F)c2F)c1=O ZINC000775003854 660806620 /nfs/dbraw/zinc/80/66/20/660806620.db2.gz BSHDBGYQRLHCPS-UHFFFAOYSA-N -1 0 359.310 -0.670 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)OCCC[N-]C(=O)C(F)(F)F)nc1 ZINC000775011682 660806648 /nfs/dbraw/zinc/80/66/48/660806648.db2.gz LXYFDWNBBQLNSW-UHFFFAOYSA-N -1 0 355.294 -0.046 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2cccc(F)c2F)nn1 ZINC000775019447 660806619 /nfs/dbraw/zinc/80/66/19/660806619.db2.gz KWTHZOUBTNGRAH-UHFFFAOYSA-N -1 0 373.341 -0.237 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000775106083 660806918 /nfs/dbraw/zinc/80/69/18/660806918.db2.gz LTZOOFFBJJEZON-UHFFFAOYSA-N -1 0 372.447 -0.232 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000775109955 660807190 /nfs/dbraw/zinc/80/71/90/660807190.db2.gz WEFSEXMYPOEYFW-UHFFFAOYSA-N -1 0 356.379 -0.949 20 0 FBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2ncccc2C(=O)N(C)C)CC1 ZINC000775232074 660807680 /nfs/dbraw/zinc/80/76/80/660807680.db2.gz RJKOFDGTAIMQNX-UHFFFAOYSA-N -1 0 369.399 -0.068 20 0 FBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC000775238560 660807704 /nfs/dbraw/zinc/80/77/04/660807704.db2.gz ODOZUICRMLQJMM-UHFFFAOYSA-N -1 0 362.404 -0.424 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)C1(C(=O)OCC)CC1 ZINC000775242145 660807754 /nfs/dbraw/zinc/80/77/54/660807754.db2.gz HSNPFSAPUBNGFQ-JTQLQIEISA-N -1 0 362.404 -0.282 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)C1(C(=O)OCC)CC1 ZINC000775242146 660807722 /nfs/dbraw/zinc/80/77/22/660807722.db2.gz HSNPFSAPUBNGFQ-SNVBAGLBSA-N -1 0 362.404 -0.282 20 0 FBADRM CCOCCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000775243587 660807785 /nfs/dbraw/zinc/80/77/85/660807785.db2.gz GESMCCQJZYIFAC-JTQLQIEISA-N -1 0 359.404 -0.463 20 0 FBADRM CCOCCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000775243599 660807772 /nfs/dbraw/zinc/80/77/72/660807772.db2.gz GESMCCQJZYIFAC-SNVBAGLBSA-N -1 0 359.404 -0.463 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[N-]OC1CCOCC1 ZINC000775245693 660807775 /nfs/dbraw/zinc/80/77/75/660807775.db2.gz UZMOYYVRGGTDKC-JTQLQIEISA-N -1 0 371.415 -0.321 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[N-]OC1CCOCC1 ZINC000775245724 660807745 /nfs/dbraw/zinc/80/77/45/660807745.db2.gz UZMOYYVRGGTDKC-SNVBAGLBSA-N -1 0 371.415 -0.321 20 0 FBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)CC1 ZINC000775277279 660807793 /nfs/dbraw/zinc/80/77/93/660807793.db2.gz WBXMNLVTMQBVOQ-UHFFFAOYSA-N -1 0 362.389 -0.355 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2cc(C)c(C)s2)C(=O)C1=O ZINC000775290008 660807765 /nfs/dbraw/zinc/80/77/65/660807765.db2.gz DFIMDDIQVFXCRE-UHFFFAOYSA-N -1 0 373.456 -0.139 20 0 FBADRM Cc1cc(S(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)sc1C ZINC000775291093 660807777 /nfs/dbraw/zinc/80/77/77/660807777.db2.gz OTGOKWRLPOQLHG-UHFFFAOYSA-N -1 0 357.413 -0.270 20 0 FBADRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)sc1C ZINC000775291949 660807730 /nfs/dbraw/zinc/80/77/30/660807730.db2.gz QNXGYCXRJVVZEW-UHFFFAOYSA-N -1 0 357.413 -0.119 20 0 FBADRM CCOc1ccccc1S(=O)(=O)[N-]C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000775299986 660807787 /nfs/dbraw/zinc/80/77/87/660807787.db2.gz QEBZJLRTASDEPP-UHFFFAOYSA-N -1 0 367.383 -0.399 20 0 FBADRM CCOc1ccccc1S(=O)(=O)[N-]C(=O)c1cn(CC(N)=O)nn1 ZINC000775300029 660807660 /nfs/dbraw/zinc/80/76/60/660807660.db2.gz RRLBSLGKJPTQGL-UHFFFAOYSA-N -1 0 353.360 -0.719 20 0 FBADRM CCOc1ccccc1S(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O ZINC000775301998 660807698 /nfs/dbraw/zinc/80/76/98/660807698.db2.gz QMNIQOYOFPHCEB-UHFFFAOYSA-N -1 0 350.418 -0.218 20 0 FBADRM CCOc1ccccc1S(=O)(=O)[N-]C(=O)Cn1ccc(=O)n(C)c1=O ZINC000775303226 660807779 /nfs/dbraw/zinc/80/77/79/660807779.db2.gz WXOCIXOPACMEKG-UHFFFAOYSA-N -1 0 367.383 -0.549 20 0 FBADRM CCOc1ccccc1S(=O)(=O)[N-]C(=O)CN1CCCS1(=O)=O ZINC000775305601 660807788 /nfs/dbraw/zinc/80/77/88/660807788.db2.gz QKZFTHNCOVGPEL-UHFFFAOYSA-N -1 0 362.429 -0.074 20 0 FBADRM O=C(CCC(=O)N1CCOCC1)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000775305926 660807828 /nfs/dbraw/zinc/80/78/28/660807828.db2.gz FDMMXPDAFMEUME-UHFFFAOYSA-N -1 0 370.383 -0.141 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000775307293 660807790 /nfs/dbraw/zinc/80/77/90/660807790.db2.gz NFUYTUZCYXHNNG-UHFFFAOYSA-N -1 0 350.374 -0.888 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)c(=O)[nH]c1=O ZINC000775307667 660807748 /nfs/dbraw/zinc/80/77/48/660807748.db2.gz SFKZRTJABRBYPN-UHFFFAOYSA-N -1 0 353.312 -0.667 20 0 FBADRM Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000775308737 660807764 /nfs/dbraw/zinc/80/77/64/660807764.db2.gz KFALWKARIQKDRK-UHFFFAOYSA-N -1 0 351.340 -0.029 20 0 FBADRM O=C(CCCN1C(=O)CNC1=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000775309289 660807727 /nfs/dbraw/zinc/80/77/27/660807727.db2.gz WEZWSEIUNINVPV-UHFFFAOYSA-N -1 0 369.355 -0.448 20 0 FBADRM O=C(Cc1nc2ncccn2n1)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000775309491 660807691 /nfs/dbraw/zinc/80/76/91/660807691.db2.gz WVMQTSKHRXWIAG-UHFFFAOYSA-N -1 0 361.339 -0.099 20 0 FBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)CC1=O ZINC000775309530 660807708 /nfs/dbraw/zinc/80/77/08/660807708.db2.gz FELGUAQLLGINTE-JTQLQIEISA-N -1 0 370.383 -0.285 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)CC1=O ZINC000775309532 660807798 /nfs/dbraw/zinc/80/77/98/660807798.db2.gz FELGUAQLLGINTE-SNVBAGLBSA-N -1 0 370.383 -0.285 20 0 FBADRM O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000775310014 660807927 /nfs/dbraw/zinc/80/79/27/660807927.db2.gz JTKUNKGEZWYUBW-UHFFFAOYSA-N -1 0 354.340 -0.241 20 0 FBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000775310085 660808164 /nfs/dbraw/zinc/80/81/64/660808164.db2.gz HHXVATJPNHTYCU-UHFFFAOYSA-N -1 0 362.385 -0.744 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000775531145 660808925 /nfs/dbraw/zinc/80/89/25/660808925.db2.gz NQVXIUBQXQPDHY-CYBMUJFWSA-N -1 0 366.403 -0.812 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000775531146 660808991 /nfs/dbraw/zinc/80/89/91/660808991.db2.gz NQVXIUBQXQPDHY-ZDUSSCGKSA-N -1 0 366.403 -0.812 20 0 FBADRM CCOC(=O)c1cnc(C)c(C(=O)[N-]S(=O)(=O)N2CCOCC2)c1 ZINC000775535431 660809062 /nfs/dbraw/zinc/80/90/62/660809062.db2.gz PAERAZRHVMFIQD-UHFFFAOYSA-N -1 0 357.388 -0.126 20 0 FBADRM O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000775547509 660809059 /nfs/dbraw/zinc/80/90/59/660809059.db2.gz WRZJZGAJZAVCBK-NOZJJQNGSA-N -1 0 363.403 -0.364 20 0 FBADRM O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000775547514 660809025 /nfs/dbraw/zinc/80/90/25/660809025.db2.gz WRZJZGAJZAVCBK-RNCFNFMXSA-N -1 0 363.403 -0.364 20 0 FBADRM O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000775547518 660808865 /nfs/dbraw/zinc/80/88/65/660808865.db2.gz WRZJZGAJZAVCBK-TVQRCGJNSA-N -1 0 363.403 -0.364 20 0 FBADRM O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000775547521 660809041 /nfs/dbraw/zinc/80/90/41/660809041.db2.gz WRZJZGAJZAVCBK-ZANVPECISA-N -1 0 363.403 -0.364 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NC[C@@H](O)c3ccccn3)cc-2c(=O)[n-]1 ZINC000775588960 660809155 /nfs/dbraw/zinc/80/91/55/660809155.db2.gz TWFDRNYBSDAGGI-LLVKDONJSA-N -1 0 363.355 -0.157 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)NC[C@H](O)c3ccccn3)cc-2c(=O)[n-]1 ZINC000775588961 660809236 /nfs/dbraw/zinc/80/92/36/660809236.db2.gz TWFDRNYBSDAGGI-NSHDSACASA-N -1 0 363.355 -0.157 20 0 FBADRM COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000775907057 660810454 /nfs/dbraw/zinc/81/04/54/660810454.db2.gz HNGLLAKWHXZAGT-UHFFFAOYSA-N -1 0 358.332 -0.468 20 0 FBADRM COCC[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)C(N)=O ZINC000775974740 660811125 /nfs/dbraw/zinc/81/11/25/660811125.db2.gz WZGZHMJCUXYOKD-JTQLQIEISA-N -1 0 350.400 -0.158 20 0 FBADRM COCC[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)C(N)=O ZINC000775974748 660810954 /nfs/dbraw/zinc/81/09/54/660810954.db2.gz WZGZHMJCUXYOKD-SNVBAGLBSA-N -1 0 350.400 -0.158 20 0 FBADRM COCCCOCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000776070523 660811339 /nfs/dbraw/zinc/81/13/39/660811339.db2.gz VUXPGTHELPWODA-UHFFFAOYSA-N -1 0 355.376 -0.480 20 0 FBADRM COCCCOCC(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000776080088 660811409 /nfs/dbraw/zinc/81/14/09/660811409.db2.gz HCQCRQCEDLDIFB-UHFFFAOYSA-N -1 0 365.429 -0.052 20 0 FBADRM COCCCOCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000776082298 660811396 /nfs/dbraw/zinc/81/13/96/660811396.db2.gz XXBUEKBRLYZXLW-UHFFFAOYSA-N -1 0 369.403 -0.265 20 0 FBADRM COCCCOCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000776083274 660811277 /nfs/dbraw/zinc/81/12/77/660811277.db2.gz SHVOGABQUOKTQE-UHFFFAOYSA-N -1 0 352.409 -0.715 20 0 FBADRM COCCCOCC(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000776084194 660811333 /nfs/dbraw/zinc/81/13/33/660811333.db2.gz JOSVTSDTJYZBCD-UHFFFAOYSA-N -1 0 359.404 -0.287 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)COCCCOC ZINC000776089552 660811308 /nfs/dbraw/zinc/81/13/08/660811308.db2.gz UVVPOHCSVSXBJF-LLVKDONJSA-N -1 0 352.409 -0.572 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)COCCCOC ZINC000776089555 660811352 /nfs/dbraw/zinc/81/13/52/660811352.db2.gz UVVPOHCSVSXBJF-NSHDSACASA-N -1 0 352.409 -0.572 20 0 FBADRM COCCCOCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000776090392 660811373 /nfs/dbraw/zinc/81/13/73/660811373.db2.gz KDCJQDWQXHFRBS-UHFFFAOYSA-N -1 0 356.400 -0.170 20 0 FBADRM COCCCOCC(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000776090496 660811348 /nfs/dbraw/zinc/81/13/48/660811348.db2.gz LUYKSXAGZMQKCS-UHFFFAOYSA-N -1 0 365.429 -0.052 20 0 FBADRM Cc1sc2ncc(C(=O)[N-]S(=O)(=O)N3CCOCC3)c(=O)n2c1C ZINC000776093949 660811370 /nfs/dbraw/zinc/81/13/70/660811370.db2.gz IOLKEHNPYHRWFM-UHFFFAOYSA-N -1 0 372.428 -0.320 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cnc2sc(C)c(C)n2c1=O ZINC000776095408 660811297 /nfs/dbraw/zinc/81/12/97/660811297.db2.gz CGKRIPIICWQJFJ-UHFFFAOYSA-N -1 0 374.444 -0.074 20 0 FBADRM COCCCOCC(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000776099563 660811325 /nfs/dbraw/zinc/81/13/25/660811325.db2.gz WFGFCCZLSMMRNR-UHFFFAOYSA-N -1 0 352.394 -0.646 20 0 FBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000776125887 660811687 /nfs/dbraw/zinc/81/16/87/660811687.db2.gz CCUCRXBAUJIAQF-UHFFFAOYSA-N -1 0 360.413 -0.443 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000776126385 660811685 /nfs/dbraw/zinc/81/16/85/660811685.db2.gz YYPHRQUDNLTYFU-CYBMUJFWSA-N -1 0 374.440 -0.054 20 0 FBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000776126388 660811637 /nfs/dbraw/zinc/81/16/37/660811637.db2.gz YYPHRQUDNLTYFU-ZDUSSCGKSA-N -1 0 374.440 -0.054 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)COC3)c(=O)[nH]c1=O ZINC000776127600 660811681 /nfs/dbraw/zinc/81/16/81/660811681.db2.gz MTVUFYCHAILPBG-UHFFFAOYSA-N -1 0 351.340 -0.365 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)COC3)c(=O)n(C)c1=O ZINC000776127762 660811715 /nfs/dbraw/zinc/81/17/15/660811715.db2.gz PSJRLSJWQXDRLV-UHFFFAOYSA-N -1 0 365.367 -0.767 20 0 FBADRM O=C(CCCN1C(=O)CNC1=O)[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000776128347 660811878 /nfs/dbraw/zinc/81/18/78/660811878.db2.gz URQZZGHNGIOPBT-UHFFFAOYSA-N -1 0 367.383 -0.146 20 0 FBADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)COC3)c1=O ZINC000776130111 660811953 /nfs/dbraw/zinc/81/19/53/660811953.db2.gz LYCDVNHDACZLSZ-UHFFFAOYSA-N -1 0 365.367 -0.918 20 0 FBADRM O=C(CCN1CCCS1(=O)=O)[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000776133749 660811901 /nfs/dbraw/zinc/81/19/01/660811901.db2.gz SESBMNUHXAVWBR-UHFFFAOYSA-N -1 0 374.440 -0.053 20 0 FBADRM CN1C(=O)CN([N-]C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1=O ZINC000776244540 660812756 /nfs/dbraw/zinc/81/27/56/660812756.db2.gz SCDSBZVZZOWGPF-UHFFFAOYSA-N -1 0 364.742 -0.335 20 0 FBADRM CN1C(=O)CN([N-]C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)C1=O ZINC000776244594 660812817 /nfs/dbraw/zinc/81/28/17/660812817.db2.gz JPJANHLMFYMWJS-UHFFFAOYSA-N -1 0 356.360 -0.397 20 0 FBADRM CN1C(=O)CN([N-]C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)C1=O ZINC000776247100 660812763 /nfs/dbraw/zinc/81/27/63/660812763.db2.gz WTMFIZVAJWHCTL-UHFFFAOYSA-N -1 0 358.376 -0.105 20 0 FBADRM COCC[C@@H](NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)C(N)=O ZINC000776251242 660812748 /nfs/dbraw/zinc/81/27/48/660812748.db2.gz RYLGFAIRLKNBDK-LLVKDONJSA-N -1 0 350.400 -0.308 20 0 FBADRM COCC[C@H](NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)C(N)=O ZINC000776251243 660812797 /nfs/dbraw/zinc/81/27/97/660812797.db2.gz RYLGFAIRLKNBDK-NSHDSACASA-N -1 0 350.400 -0.308 20 0 FBADRM O=C(NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cc(=O)[nH][n-]1 ZINC000776270855 660813097 /nfs/dbraw/zinc/81/30/97/660813097.db2.gz WGJSAVIYPHZMLV-UHFFFAOYSA-N -1 0 354.363 -0.142 20 0 FBADRM CC(C)(C)N(CCS(C)(=O)=O)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000776370714 660813558 /nfs/dbraw/zinc/81/35/58/660813558.db2.gz DFRFWPCKHYJQDF-UHFFFAOYSA-N -1 0 355.420 -0.257 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](CCSC)C(=O)[O-])CC1 ZINC000776436953 660813844 /nfs/dbraw/zinc/81/38/44/660813844.db2.gz FLQXCDXLDONGFX-JTQLQIEISA-N -1 0 369.465 -0.199 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@H](CCSC)C(=O)[O-])CC1 ZINC000776436964 660814030 /nfs/dbraw/zinc/81/40/30/660814030.db2.gz FLQXCDXLDONGFX-SNVBAGLBSA-N -1 0 369.465 -0.199 20 0 FBADRM COC(=O)c1c(F)ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1F ZINC000776436967 660813995 /nfs/dbraw/zinc/81/39/95/660813995.db2.gz FNOHHLSBPCTXPL-FWOIEVBISA-N -1 0 353.299 -0.136 20 0 FBADRM COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000776437437 660814016 /nfs/dbraw/zinc/81/40/16/660814016.db2.gz IVEAQJGBBRTVGN-XRGYYRRGSA-N -1 0 352.752 -0.366 20 0 FBADRM C[C@H](O)[C@H](NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1)C(=O)[O-] ZINC000776437571 660814037 /nfs/dbraw/zinc/81/40/37/660814037.db2.gz LFBBUMLITGFEQA-GWCFXTLKSA-N -1 0 372.399 -0.239 20 0 FBADRM C[C@H](O)[C@@H](NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1)C(=O)[O-] ZINC000776437572 660814000 /nfs/dbraw/zinc/81/40/00/660814000.db2.gz LFBBUMLITGFEQA-GXFFZTMASA-N -1 0 372.399 -0.239 20 0 FBADRM C[C@@H](O)[C@H](NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1)C(=O)[O-] ZINC000776437573 660813902 /nfs/dbraw/zinc/81/39/02/660813902.db2.gz LFBBUMLITGFEQA-MFKMUULPSA-N -1 0 372.399 -0.239 20 0 FBADRM CSCC[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000776438260 660813918 /nfs/dbraw/zinc/81/39/18/660813918.db2.gz SMDDVGXAQIUYQC-JTQLQIEISA-N -1 0 354.450 -0.134 20 0 FBADRM CSCC[C@@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000776438261 660813992 /nfs/dbraw/zinc/81/39/92/660813992.db2.gz SMDDVGXAQIUYQC-SNVBAGLBSA-N -1 0 354.450 -0.134 20 0 FBADRM C[C@H](O)[C@@H](NS(=O)(=O)CCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000776438312 660814032 /nfs/dbraw/zinc/81/40/32/660814032.db2.gz UHIHMYOMQOFZEX-CMPLNLGQSA-N -1 0 360.388 -0.334 20 0 FBADRM C[C@H](O)[C@H](NS(=O)(=O)CCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000776438313 660813980 /nfs/dbraw/zinc/81/39/80/660813980.db2.gz UHIHMYOMQOFZEX-JQWIXIFHSA-N -1 0 360.388 -0.334 20 0 FBADRM C[C@@H](O)[C@H](NS(=O)(=O)CCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000776438314 660813949 /nfs/dbraw/zinc/81/39/49/660813949.db2.gz UHIHMYOMQOFZEX-PWSUYJOCSA-N -1 0 360.388 -0.334 20 0 FBADRM NC(=O)C[C@@H](NS(=O)(=O)CCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000776443046 660814023 /nfs/dbraw/zinc/81/40/23/660814023.db2.gz CDHJMIRZXRKQBR-LLVKDONJSA-N -1 0 373.387 -0.839 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)CCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000776443059 660813928 /nfs/dbraw/zinc/81/39/28/660813928.db2.gz CDHJMIRZXRKQBR-NSHDSACASA-N -1 0 373.387 -0.839 20 0 FBADRM NC(=O)C[C@@H](NS(=O)(=O)c1ccc2nc(Cl)cnc2c1)C(=O)[O-] ZINC000776443642 660813973 /nfs/dbraw/zinc/81/39/73/660813973.db2.gz FIZJRRGOUXKCAW-SECBINFHSA-N -1 0 358.763 -0.110 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)c1ccc2nc(Cl)cnc2c1)C(=O)[O-] ZINC000776443643 660814047 /nfs/dbraw/zinc/81/40/47/660814047.db2.gz FIZJRRGOUXKCAW-VIFPVBQESA-N -1 0 358.763 -0.110 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000776444186 604802870 /nfs/dbraw/zinc/80/28/70/604802870.db2.gz ZFGPIVIKCLMUQF-UHFFFAOYSA-N -1 0 358.763 -0.238 20 0 FBADRM COC(=O)c1c(F)ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1F ZINC000776444187 601229172 /nfs/dbraw/zinc/22/91/72/601229172.db2.gz ZKHAMWPRHDIHTM-UHFFFAOYSA-N -1 0 366.298 -0.770 20 0 FBADRM CCCCCCn1cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c(=O)[nH]c1=O ZINC000776444261 660813882 /nfs/dbraw/zinc/81/38/82/660813882.db2.gz MZLOILZPUWYURY-SECBINFHSA-N -1 0 363.392 -0.747 20 0 FBADRM CCCCCCn1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c(=O)[nH]c1=O ZINC000776444262 660813960 /nfs/dbraw/zinc/81/39/60/660813960.db2.gz MZLOILZPUWYURY-VIFPVBQESA-N -1 0 363.392 -0.747 20 0 FBADRM CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1 ZINC000776444734 605210359 /nfs/dbraw/zinc/21/03/59/605210359.db2.gz OAMFJYWAYRCCSZ-SECBINFHSA-N -1 0 350.780 -0.234 20 0 FBADRM CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000776444735 605212440 /nfs/dbraw/zinc/21/24/40/605212440.db2.gz OAMFJYWAYRCCSZ-VIFPVBQESA-N -1 0 350.780 -0.234 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)c1c(Cl)nc2sccn21)C(=O)[O-] ZINC000776444752 660814259 /nfs/dbraw/zinc/81/42/59/660814259.db2.gz OSMSWOLWADOCKW-BYPYZUCNSA-N -1 0 352.781 -0.344 20 0 FBADRM NC(=O)C[C@@H](NS(=O)(=O)c1c(Cl)nc2sccn21)C(=O)[O-] ZINC000776444755 660814294 /nfs/dbraw/zinc/81/42/94/660814294.db2.gz OSMSWOLWADOCKW-SCSAIBSYSA-N -1 0 352.781 -0.344 20 0 FBADRM COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1 ZINC000776445191 660814264 /nfs/dbraw/zinc/81/42/64/660814264.db2.gz UFPRULITDJFGRT-IBHLPDHGSA-N -1 0 356.356 -0.520 20 0 FBADRM COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1 ZINC000776445192 660814307 /nfs/dbraw/zinc/81/43/07/660814307.db2.gz UFPRULITDJFGRT-MEQVVJDKSA-N -1 0 356.356 -0.520 20 0 FBADRM COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1 ZINC000776445193 660814249 /nfs/dbraw/zinc/81/42/49/660814249.db2.gz UFPRULITDJFGRT-TZOMUSMUSA-N -1 0 356.356 -0.520 20 0 FBADRM COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1 ZINC000776445194 660814215 /nfs/dbraw/zinc/81/42/15/660814215.db2.gz UFPRULITDJFGRT-ZPMKCOPCSA-N -1 0 356.356 -0.520 20 0 FBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 ZINC000776445492 660814184 /nfs/dbraw/zinc/81/41/84/660814184.db2.gz XWTQHEIJWHFAEC-GFCCVEGCSA-N -1 0 358.372 -0.628 20 0 FBADRM O=C([O-])[C@H](CO)NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 ZINC000776445493 660814288 /nfs/dbraw/zinc/81/42/88/660814288.db2.gz XWTQHEIJWHFAEC-LBPRGKRZSA-N -1 0 358.372 -0.628 20 0 FBADRM COC(=O)c1c(F)ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1F ZINC000776445616 660814193 /nfs/dbraw/zinc/81/41/93/660814193.db2.gz YPEFJWLVPXHKKN-LURJTMIESA-N -1 0 366.298 -0.642 20 0 FBADRM COC(=O)c1c(F)ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1F ZINC000776445621 660814328 /nfs/dbraw/zinc/81/43/28/660814328.db2.gz YPEFJWLVPXHKKN-ZCFIWIBFSA-N -1 0 366.298 -0.642 20 0 FBADRM COC(=O)c1c(F)ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c1F ZINC000776447127 660814321 /nfs/dbraw/zinc/81/43/21/660814321.db2.gz FNFFYDZZFMETHC-SSDOTTSWSA-N -1 0 353.299 -0.135 20 0 FBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC000776449229 660814219 /nfs/dbraw/zinc/81/42/19/660814219.db2.gz VBERVRFQODLXRV-GFCCVEGCSA-N -1 0 360.388 -0.332 20 0 FBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 ZINC000776449408 660814314 /nfs/dbraw/zinc/81/43/14/660814314.db2.gz YVJPNBHWGXXZRX-CYBMUJFWSA-N -1 0 372.399 -0.238 20 0 FBADRM COC(=O)c1c(F)ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c1F ZINC000776458237 660814205 /nfs/dbraw/zinc/81/42/05/660814205.db2.gz IFAAQXJZPMFSSG-ZETCQYMHSA-N -1 0 353.299 -0.135 20 0 FBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC000776458416 660814285 /nfs/dbraw/zinc/81/42/85/660814285.db2.gz LMODEEBXIBQLHV-LBPRGKRZSA-N -1 0 360.388 -0.332 20 0 FBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 ZINC000776458972 660814174 /nfs/dbraw/zinc/81/41/74/660814174.db2.gz RNXZBTPAJSSQHJ-ZDUSSCGKSA-N -1 0 372.399 -0.238 20 0 FBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000776471548 660814198 /nfs/dbraw/zinc/81/41/98/660814198.db2.gz WRGPHJPJWQYZML-SECBINFHSA-N -1 0 371.375 -0.408 20 0 FBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000776471549 660814272 /nfs/dbraw/zinc/81/42/72/660814272.db2.gz WRGPHJPJWQYZML-VIFPVBQESA-N -1 0 371.375 -0.408 20 0 FBADRM COc1cc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cnc1Cl ZINC000776482622 660814513 /nfs/dbraw/zinc/81/45/13/660814513.db2.gz RQDMDNUVUCTGPK-ZETCQYMHSA-N -1 0 351.768 -0.259 20 0 FBADRM COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cc1 ZINC000776482957 660814482 /nfs/dbraw/zinc/81/44/82/660814482.db2.gz SUWFPGMVZKAGTG-KFRNIWOLSA-N -1 0 370.383 -0.130 20 0 FBADRM COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cc1 ZINC000776482968 660814529 /nfs/dbraw/zinc/81/45/29/660814529.db2.gz SUWFPGMVZKAGTG-REPPVQDKSA-N -1 0 370.383 -0.130 20 0 FBADRM COC(=O)c1c(F)ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c1F ZINC000776484325 660814569 /nfs/dbraw/zinc/81/45/69/660814569.db2.gz FNFFYDZZFMETHC-ZETCQYMHSA-N -1 0 353.299 -0.135 20 0 FBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC000776485744 660814581 /nfs/dbraw/zinc/81/45/81/660814581.db2.gz VBERVRFQODLXRV-LBPRGKRZSA-N -1 0 360.388 -0.332 20 0 FBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 ZINC000776486088 660814547 /nfs/dbraw/zinc/81/45/47/660814547.db2.gz YVJPNBHWGXXZRX-ZDUSSCGKSA-N -1 0 372.399 -0.238 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])ccc1F ZINC000776486568 660814613 /nfs/dbraw/zinc/81/46/13/660814613.db2.gz FUTVPPVWCNCJMS-JTQLQIEISA-N -1 0 362.335 -0.391 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])ccc1F ZINC000776493460 660814504 /nfs/dbraw/zinc/81/45/04/660814504.db2.gz FUTVPPVWCNCJMS-SNVBAGLBSA-N -1 0 362.335 -0.391 20 0 FBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000776493557 660814611 /nfs/dbraw/zinc/81/46/11/660814611.db2.gz NVOSDFLMATVJIC-QMMMGPOBSA-N -1 0 356.278 -0.089 20 0 FBADRM COC(=O)c1ccc(F)c(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c1 ZINC000776493970 660814608 /nfs/dbraw/zinc/81/46/08/660814608.db2.gz PTLCCZFWQFHBBS-SECBINFHSA-N -1 0 362.335 -0.391 20 0 FBADRM COc1cc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cnc1Cl ZINC000776493997 660814574 /nfs/dbraw/zinc/81/45/74/660814574.db2.gz RQDMDNUVUCTGPK-SSDOTTSWSA-N -1 0 351.768 -0.259 20 0 FBADRM COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cc1 ZINC000776494013 660814615 /nfs/dbraw/zinc/81/46/15/660814615.db2.gz SUWFPGMVZKAGTG-OXFRDRNISA-N -1 0 370.383 -0.130 20 0 FBADRM COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cc1 ZINC000776494014 660814601 /nfs/dbraw/zinc/81/46/01/660814601.db2.gz SUWFPGMVZKAGTG-TWLAMCEISA-N -1 0 370.383 -0.130 20 0 FBADRM Cn1cc([C@@H](NS(=O)(=O)N2CCC3(CC2)OCCO3)C(=O)[O-])cn1 ZINC000776495418 660814586 /nfs/dbraw/zinc/81/45/86/660814586.db2.gz CWYPNKGONOWQEL-LLVKDONJSA-N -1 0 360.392 -0.781 20 0 FBADRM Cn1cc([C@H](NS(=O)(=O)N2CCC3(CC2)OCCO3)C(=O)[O-])cn1 ZINC000776495424 660814604 /nfs/dbraw/zinc/81/46/04/660814604.db2.gz CWYPNKGONOWQEL-NSHDSACASA-N -1 0 360.392 -0.781 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](CCOC)C(=O)[O-])CC1 ZINC000776502520 660814588 /nfs/dbraw/zinc/81/45/88/660814588.db2.gz FWIJRJJKEWRSQV-JTQLQIEISA-N -1 0 353.397 -0.915 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@H](CCOC)C(=O)[O-])CC1 ZINC000776502521 660814497 /nfs/dbraw/zinc/81/44/97/660814497.db2.gz FWIJRJJKEWRSQV-SNVBAGLBSA-N -1 0 353.397 -0.915 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)CC1 ZINC000776502835 660814577 /nfs/dbraw/zinc/81/45/77/660814577.db2.gz JDPIFCGOZKLSJS-GHMZBOCLSA-N -1 0 365.408 -0.915 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)CC1 ZINC000776502836 660814606 /nfs/dbraw/zinc/81/46/06/660814606.db2.gz JDPIFCGOZKLSJS-MNOVXSKESA-N -1 0 365.408 -0.915 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)CC1 ZINC000776502837 660814554 /nfs/dbraw/zinc/81/45/54/660814554.db2.gz JDPIFCGOZKLSJS-QWRGUYRKSA-N -1 0 365.408 -0.915 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)CC1 ZINC000776502838 660814584 /nfs/dbraw/zinc/81/45/84/660814584.db2.gz JDPIFCGOZKLSJS-WDEREUQCSA-N -1 0 365.408 -0.915 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])CC1 ZINC000776503836 660814818 /nfs/dbraw/zinc/81/48/18/660814818.db2.gz FDANGNZOSAUVKJ-MRVPVSSYSA-N -1 0 359.351 -0.297 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])CC1 ZINC000776503837 660814884 /nfs/dbraw/zinc/81/48/84/660814884.db2.gz FDANGNZOSAUVKJ-QMMMGPOBSA-N -1 0 359.351 -0.297 20 0 FBADRM Cc1csc2ncc(C(=O)[N-]S(=O)(=O)c3cnn(C)c3)c(=O)n12 ZINC000776508576 660814866 /nfs/dbraw/zinc/81/48/66/660814866.db2.gz VIDSWYKLGHWXCN-UHFFFAOYSA-N -1 0 353.385 -0.083 20 0 FBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000776513330 660814838 /nfs/dbraw/zinc/81/48/38/660814838.db2.gz NVOSDFLMATVJIC-MRVPVSSYSA-N -1 0 356.278 -0.089 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(F)c(C(=O)OC)c1)C(=O)[O-] ZINC000776518607 601213110 /nfs/dbraw/zinc/21/31/10/601213110.db2.gz RXNUVDQQFHYNLA-JTQLQIEISA-N -1 0 363.319 -0.093 20 0 FBADRM COc1ccccc1[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000776521694 660814788 /nfs/dbraw/zinc/81/47/88/660814788.db2.gz YHQBNHCDUYWSDD-LLVKDONJSA-N -1 0 351.402 -0.215 20 0 FBADRM COc1ccccc1[C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000776521695 660814898 /nfs/dbraw/zinc/81/48/98/660814898.db2.gz YHQBNHCDUYWSDD-NSHDSACASA-N -1 0 351.402 -0.215 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C1CCOCC1 ZINC000776524485 660814857 /nfs/dbraw/zinc/81/48/57/660814857.db2.gz HKLWKQKZGPXGRT-CYBMUJFWSA-N -1 0 367.387 -0.180 20 0 FBADRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C1CCOCC1 ZINC000776524490 660814736 /nfs/dbraw/zinc/81/47/36/660814736.db2.gz HKLWKQKZGPXGRT-ZDUSSCGKSA-N -1 0 367.387 -0.180 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C1CCOCC1 ZINC000776527916 660814771 /nfs/dbraw/zinc/81/47/71/660814771.db2.gz ULTMPGMXHWAZIR-CYBMUJFWSA-N -1 0 367.387 -0.180 20 0 FBADRM O=C([O-])[C@@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C1CCOCC1 ZINC000776527918 660814779 /nfs/dbraw/zinc/81/47/79/660814779.db2.gz ULTMPGMXHWAZIR-ZDUSSCGKSA-N -1 0 367.387 -0.180 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000776528102 660814863 /nfs/dbraw/zinc/81/48/63/660814863.db2.gz WEJRRZWOKSNEIQ-GFCCVEGCSA-N -1 0 354.425 -0.705 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000776528104 660814804 /nfs/dbraw/zinc/81/48/04/660814804.db2.gz WEJRRZWOKSNEIQ-LBPRGKRZSA-N -1 0 354.425 -0.705 20 0 FBADRM Cc1csc2ncc(C(=O)[N-]S(=O)(=O)N3CCOCC3)c(=O)n12 ZINC000776528199 660814760 /nfs/dbraw/zinc/81/47/60/660814760.db2.gz UKKZKYOGEFQNHG-UHFFFAOYSA-N -1 0 358.401 -0.629 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CCOCC2)cn1C ZINC000776528451 660814881 /nfs/dbraw/zinc/81/48/81/660814881.db2.gz YKQNEXNSQCYNMU-GFCCVEGCSA-N -1 0 359.404 -0.457 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])C2CCOCC2)cn1C ZINC000776528461 660814742 /nfs/dbraw/zinc/81/47/42/660814742.db2.gz YKQNEXNSQCYNMU-LBPRGKRZSA-N -1 0 359.404 -0.457 20 0 FBADRM Cc1csc2ncc(C(=O)[N-]S(=O)(=O)c3cnccn3)c(=O)n12 ZINC000776529938 660814795 /nfs/dbraw/zinc/81/47/95/660814795.db2.gz QCWLCUCPRCQSKC-UHFFFAOYSA-N -1 0 351.369 -0.027 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cnc2scc(C)n2c1=O ZINC000776530095 660814754 /nfs/dbraw/zinc/81/47/54/660814754.db2.gz HHWUPYYSKIONSO-UHFFFAOYSA-N -1 0 360.417 -0.383 20 0 FBADRM O=C(NCCc1n[n-]c(=S)o1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000776536517 660814812 /nfs/dbraw/zinc/81/48/12/660814812.db2.gz LGZREECGDXOEMW-UHFFFAOYSA-N -1 0 355.401 -0.485 20 0 FBADRM CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000776536738 605441626 /nfs/dbraw/zinc/44/16/26/605441626.db2.gz AECRIHVVUZVBBC-VIFPVBQESA-N -1 0 350.780 -0.234 20 0 FBADRM CC[C@H](CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000776537217 660814901 /nfs/dbraw/zinc/81/49/01/660814901.db2.gz NBXUEHLRNBXPDN-SSDOTTSWSA-N -1 0 356.360 -0.577 20 0 FBADRM CC[C@@H](CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000776537222 660814877 /nfs/dbraw/zinc/81/48/77/660814877.db2.gz NBXUEHLRNBXPDN-ZETCQYMHSA-N -1 0 356.360 -0.577 20 0 FBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000776537636 660814706 /nfs/dbraw/zinc/81/47/06/660814706.db2.gz GLPPBVAXDFUEID-QMMMGPOBSA-N -1 0 356.278 -0.089 20 0 FBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 ZINC000776539251 660814688 /nfs/dbraw/zinc/81/46/88/660814688.db2.gz JUWWLOKSPXYKLN-LBPRGKRZSA-N -1 0 358.372 -0.628 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c(Cl)s1 ZINC000776540454 660814843 /nfs/dbraw/zinc/81/48/43/660814843.db2.gz QTRUTHICHYQEMC-BYPYZUCNSA-N -1 0 363.822 -0.471 20 0 FBADRM CCCCCCn1cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c(=O)[nH]c1=O ZINC000776540462 660815151 /nfs/dbraw/zinc/81/51/51/660815151.db2.gz RBZXHSIZHRQQTC-VIFPVBQESA-N -1 0 363.392 -0.747 20 0 FBADRM O=C([O-])[C@H](C[C@H]1CCOC1)NS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776541172 660815058 /nfs/dbraw/zinc/81/50/58/660815058.db2.gz ZAVOKIZUCIFBSB-NEPJUHHUSA-N -1 0 364.420 -0.461 20 0 FBADRM O=C([O-])[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776541173 660815147 /nfs/dbraw/zinc/81/51/47/660815147.db2.gz ZAVOKIZUCIFBSB-NWDGAFQWSA-N -1 0 364.420 -0.461 20 0 FBADRM O=C([O-])[C@H](C[C@@H]1CCOC1)NS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776541174 660815162 /nfs/dbraw/zinc/81/51/62/660815162.db2.gz ZAVOKIZUCIFBSB-RYUDHWBXSA-N -1 0 364.420 -0.461 20 0 FBADRM O=C([O-])[C@@H](C[C@H]1CCOC1)NS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776541175 660815034 /nfs/dbraw/zinc/81/50/34/660815034.db2.gz ZAVOKIZUCIFBSB-VXGBXAGGSA-N -1 0 364.420 -0.461 20 0 FBADRM O=C([O-])[C@@H](Cc1ccco1)NS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776541688 660815176 /nfs/dbraw/zinc/81/51/76/660815176.db2.gz HLTZAJORGXLXAL-GFCCVEGCSA-N -1 0 360.388 -0.051 20 0 FBADRM O=C([O-])[C@H](Cc1ccco1)NS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776541689 660815019 /nfs/dbraw/zinc/81/50/19/660815019.db2.gz HLTZAJORGXLXAL-LBPRGKRZSA-N -1 0 360.388 -0.051 20 0 FBADRM Cn1cc(C[C@H](NS(=O)(=O)c2cccc3nonc32)C(=O)[O-])cn1 ZINC000776546577 660814996 /nfs/dbraw/zinc/81/49/96/660814996.db2.gz BTLKBSFCULEPOG-JTQLQIEISA-N -1 0 351.344 -0.070 20 0 FBADRM Cn1cc(C[C@@H](NS(=O)(=O)c2cccc3nonc32)C(=O)[O-])cn1 ZINC000776546578 660815118 /nfs/dbraw/zinc/81/51/18/660815118.db2.gz BTLKBSFCULEPOG-SNVBAGLBSA-N -1 0 351.344 -0.070 20 0 FBADRM COc1ccc([C@@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-])cc1F ZINC000776550611 660815094 /nfs/dbraw/zinc/81/50/94/660815094.db2.gz BBOZXMMNXNOOBA-LLVKDONJSA-N -1 0 369.392 -0.076 20 0 FBADRM COc1ccc([C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-])cc1F ZINC000776550640 660815066 /nfs/dbraw/zinc/81/50/66/660815066.db2.gz BBOZXMMNXNOOBA-NSHDSACASA-N -1 0 369.392 -0.076 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])c(=O)n(C)c1=O ZINC000776555342 660815096 /nfs/dbraw/zinc/81/50/96/660815096.db2.gz PHSDDEBOHQGCIP-LLVKDONJSA-N -1 0 373.431 -0.357 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@H](CC2CCCC2)C(=O)[O-])c(=O)n(C)c1=O ZINC000776555357 660815038 /nfs/dbraw/zinc/81/50/38/660815038.db2.gz PHSDDEBOHQGCIP-NSHDSACASA-N -1 0 373.431 -0.357 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)co1 ZINC000776562445 660815166 /nfs/dbraw/zinc/81/51/66/660815166.db2.gz DGOAQZSBTXQJDN-MRVPVSSYSA-N -1 0 358.405 -0.369 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)co1 ZINC000776562448 660815134 /nfs/dbraw/zinc/81/51/34/660815134.db2.gz DGOAQZSBTXQJDN-QMMMGPOBSA-N -1 0 358.405 -0.369 20 0 FBADRM CC1(C)NC(=O)N(CCCC(=O)N2CCSC[C@@H]2c2nnn[n-]2)C1=O ZINC000776562841 660815004 /nfs/dbraw/zinc/81/50/04/660815004.db2.gz FSKBSDXMGLEUHY-SECBINFHSA-N -1 0 367.435 -0.073 20 0 FBADRM CC1(C)NC(=O)N(CCCC(=O)N2CCSC[C@H]2c2nnn[n-]2)C1=O ZINC000776562842 660815042 /nfs/dbraw/zinc/81/50/42/660815042.db2.gz FSKBSDXMGLEUHY-VIFPVBQESA-N -1 0 367.435 -0.073 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000776563234 660815159 /nfs/dbraw/zinc/81/51/59/660815159.db2.gz IBNNYZYGPQETRV-LLVKDONJSA-N -1 0 351.425 -0.048 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)NC[C@H](C(=O)[O-])C(C)C)CC1 ZINC000776563235 660815036 /nfs/dbraw/zinc/81/50/36/660815036.db2.gz IBNNYZYGPQETRV-NSHDSACASA-N -1 0 351.425 -0.048 20 0 FBADRM O=C(CNS(=O)(=O)c1cccs1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000776563269 660815020 /nfs/dbraw/zinc/81/50/20/660815020.db2.gz IGSRFGPMAUUKJM-MRVPVSSYSA-N -1 0 374.473 -0.144 20 0 FBADRM O=C(CNS(=O)(=O)c1cccs1)N1CCSC[C@H]1c1nnn[n-]1 ZINC000776563274 660815011 /nfs/dbraw/zinc/81/50/11/660815011.db2.gz IGSRFGPMAUUKJM-QMMMGPOBSA-N -1 0 374.473 -0.144 20 0 FBADRM O=C(CNC(=O)NCc1ccco1)N1CCSC[C@H]1c1nnn[n-]1 ZINC000776563713 660815084 /nfs/dbraw/zinc/81/50/84/660815084.db2.gz JQTAVPWOTLLNJS-JTQLQIEISA-N -1 0 351.392 -0.091 20 0 FBADRM O=C(CNC(=O)NCc1ccco1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000776563727 660815014 /nfs/dbraw/zinc/81/50/14/660815014.db2.gz JQTAVPWOTLLNJS-SNVBAGLBSA-N -1 0 351.392 -0.091 20 0 FBADRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c(C)o1 ZINC000776564407 660815340 /nfs/dbraw/zinc/81/53/40/660815340.db2.gz RKDPYPXDIGYVHG-AATRIKPKSA-N -1 0 367.383 -0.188 20 0 FBADRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c(C)o1 ZINC000776564412 660815406 /nfs/dbraw/zinc/81/54/06/660815406.db2.gz RKDPYPXDIGYVHG-WAYWQWQTSA-N -1 0 367.383 -0.188 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000776564640 660815407 /nfs/dbraw/zinc/81/54/07/660815407.db2.gz OONWOBRLIYROOF-AXFHLTTASA-N -1 0 364.431 -0.009 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000776564641 660815355 /nfs/dbraw/zinc/81/53/55/660815355.db2.gz OONWOBRLIYROOF-GMTAPVOTSA-N -1 0 364.431 -0.009 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000776564642 660815379 /nfs/dbraw/zinc/81/53/79/660815379.db2.gz OONWOBRLIYROOF-MXWKQRLJSA-N -1 0 364.431 -0.009 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000776564643 660815460 /nfs/dbraw/zinc/81/54/60/660815460.db2.gz OONWOBRLIYROOF-OUAUKWLOSA-N -1 0 364.431 -0.009 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)cs1 ZINC000776564944 660815369 /nfs/dbraw/zinc/81/53/69/660815369.db2.gz QWDBTVQMSDJHPU-SSDOTTSWSA-N -1 0 360.446 -0.161 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)cs1 ZINC000776564949 660815305 /nfs/dbraw/zinc/81/53/05/660815305.db2.gz QWDBTVQMSDJHPU-ZETCQYMHSA-N -1 0 360.446 -0.161 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2cc(C)oc2C)C(=O)C1=O ZINC000776565076 660815404 /nfs/dbraw/zinc/81/54/04/660815404.db2.gz KDYZTGBJQWAVMI-UHFFFAOYSA-N -1 0 357.388 -0.608 20 0 FBADRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cn(CC(=O)N(C)C)nn2)c(C)o1 ZINC000776565120 660815377 /nfs/dbraw/zinc/81/53/77/660815377.db2.gz LGWBAZGINZEPDE-UHFFFAOYSA-N -1 0 355.376 -0.305 20 0 FBADRM O=C(CSc1nnnn1C1CC1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000776565351 660815443 /nfs/dbraw/zinc/81/54/43/660815443.db2.gz RWFXDNVWNOQFFG-MRVPVSSYSA-N -1 0 353.437 -0.070 20 0 FBADRM O=C(CSc1nnnn1C1CC1)N1CCSC[C@H]1c1nnn[n-]1 ZINC000776565355 660815453 /nfs/dbraw/zinc/81/54/53/660815453.db2.gz RWFXDNVWNOQFFG-QMMMGPOBSA-N -1 0 353.437 -0.070 20 0 FBADRM Cc1cc(S(=O)(=O)[N-]C(=O)Cn2cnc3c(cnn3C)c2=O)c(C)o1 ZINC000776565617 660815362 /nfs/dbraw/zinc/81/53/62/660815362.db2.gz UFLLMWLKRCRGLP-UHFFFAOYSA-N -1 0 365.371 -0.155 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)co1 ZINC000776565949 660815350 /nfs/dbraw/zinc/81/53/50/660815350.db2.gz UYOZTRNHDDUVRI-SECBINFHSA-N -1 0 372.432 -0.027 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)co1 ZINC000776565952 660815502 /nfs/dbraw/zinc/81/55/02/660815502.db2.gz UYOZTRNHDDUVRI-VIFPVBQESA-N -1 0 372.432 -0.027 20 0 FBADRM O=C(CSCC(=O)N1CCSC[C@H]1c1nnn[n-]1)N1CCOCC1 ZINC000776566078 660815359 /nfs/dbraw/zinc/81/53/59/660815359.db2.gz WUBNFNLJZXDLEY-JTQLQIEISA-N -1 0 372.476 -0.592 20 0 FBADRM O=C(CSCC(=O)N1CCSC[C@@H]1c1nnn[n-]1)N1CCOCC1 ZINC000776566079 660815413 /nfs/dbraw/zinc/81/54/13/660815413.db2.gz WUBNFNLJZXDLEY-SNVBAGLBSA-N -1 0 372.476 -0.592 20 0 FBADRM Cc1oc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)cc1S(N)(=O)=O ZINC000776566891 660815399 /nfs/dbraw/zinc/81/53/99/660815399.db2.gz ZCUFBXCLMWIBJH-SSDOTTSWSA-N -1 0 358.405 -0.321 20 0 FBADRM Cc1oc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)cc1S(N)(=O)=O ZINC000776566892 660815364 /nfs/dbraw/zinc/81/53/64/660815364.db2.gz ZCUFBXCLMWIBJH-ZETCQYMHSA-N -1 0 358.405 -0.321 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C)oc1C ZINC000776567303 660815499 /nfs/dbraw/zinc/81/54/99/660815499.db2.gz RBXRAEYINRXPDP-GFCCVEGCSA-N -1 0 371.415 -0.172 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C)oc1C ZINC000776567310 660815488 /nfs/dbraw/zinc/81/54/88/660815488.db2.gz RBXRAEYINRXPDP-LBPRGKRZSA-N -1 0 371.415 -0.172 20 0 FBADRM O=C([O-])C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CC1 ZINC000776573426 601573959 /nfs/dbraw/zinc/57/39/59/601573959.db2.gz BIFQQQVWGSHBJB-JTQLQIEISA-N -1 0 353.356 -0.252 20 0 FBADRM O=C([O-])C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CC1 ZINC000776573427 601574096 /nfs/dbraw/zinc/57/40/96/601574096.db2.gz BIFQQQVWGSHBJB-SNVBAGLBSA-N -1 0 353.356 -0.252 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)cnc21 ZINC000776574899 660815492 /nfs/dbraw/zinc/81/54/92/660815492.db2.gz MLJQDXLSWGUZKS-JTQLQIEISA-N -1 0 368.371 -0.434 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@H](CC(=O)[O-])C3CC3)cnc21 ZINC000776574901 660815384 /nfs/dbraw/zinc/81/53/84/660815384.db2.gz MLJQDXLSWGUZKS-SNVBAGLBSA-N -1 0 368.371 -0.434 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCN(CC(=O)[N-]OCCO)CC2)cc1 ZINC000776583344 660815704 /nfs/dbraw/zinc/81/57/04/660815704.db2.gz GYNZNVSQAJHEHX-UHFFFAOYSA-N -1 0 357.432 -0.659 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)NCCOCC(=O)[O-])ccc1F ZINC000776586855 660815772 /nfs/dbraw/zinc/81/57/72/660815772.db2.gz GYYGROSCEMXKLT-UHFFFAOYSA-N -1 0 355.365 -0.391 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@H](CC(=O)CC)C(=O)[O-])CC1 ZINC000776587090 660815775 /nfs/dbraw/zinc/81/57/75/660815775.db2.gz HXUKVCUCIRRVLO-LLVKDONJSA-N -1 0 365.408 -0.583 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](CC(=O)CC)C(=O)[O-])CC1 ZINC000776587093 660815765 /nfs/dbraw/zinc/81/57/65/660815765.db2.gz HXUKVCUCIRRVLO-NSHDSACASA-N -1 0 365.408 -0.583 20 0 FBADRM CCC(=O)C[C@@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000776587094 660815769 /nfs/dbraw/zinc/81/57/69/660815769.db2.gz HYBYLKPHBGVROD-LLVKDONJSA-N -1 0 350.393 -0.518 20 0 FBADRM CCC(=O)C[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000776587108 660815759 /nfs/dbraw/zinc/81/57/59/660815759.db2.gz HYBYLKPHBGVROD-NSHDSACASA-N -1 0 350.393 -0.518 20 0 FBADRM COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCCOCC(=O)[O-] ZINC000776587749 660815770 /nfs/dbraw/zinc/81/57/70/660815770.db2.gz NDDJKQZCDFQZED-UHFFFAOYSA-N -1 0 352.752 -0.099 20 0 FBADRM C[C@H](CCNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000776587999 660815773 /nfs/dbraw/zinc/81/57/73/660815773.db2.gz COJPTUSEODGMCA-SSDOTTSWSA-N -1 0 356.360 -0.577 20 0 FBADRM C[C@@H](CCNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000776588000 660815717 /nfs/dbraw/zinc/81/57/17/660815717.db2.gz COJPTUSEODGMCA-ZETCQYMHSA-N -1 0 356.360 -0.577 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)NCC[C@@H](C)C(=O)[O-])c1 ZINC000776589851 660815762 /nfs/dbraw/zinc/81/57/62/660815762.db2.gz PQINCWSNUDZSNU-SECBINFHSA-N -1 0 350.418 -0.016 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)NCC[C@H](C)C(=O)[O-])c1 ZINC000776589852 660815733 /nfs/dbraw/zinc/81/57/33/660815733.db2.gz PQINCWSNUDZSNU-VIFPVBQESA-N -1 0 350.418 -0.016 20 0 FBADRM C[C@H](CCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000776589954 660815764 /nfs/dbraw/zinc/81/57/64/660815764.db2.gz RBVLMPMUHMCQOV-LLVKDONJSA-N -1 0 364.445 -0.005 20 0 FBADRM C[C@@H](CCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000776589964 660815761 /nfs/dbraw/zinc/81/57/61/660815761.db2.gz RBVLMPMUHMCQOV-NSHDSACASA-N -1 0 364.445 -0.005 20 0 FBADRM COCCn1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccccc2)cn1 ZINC000776596787 660815740 /nfs/dbraw/zinc/81/57/40/660815740.db2.gz LRLYZRSFMQKMPL-KBPBESRZSA-N -1 0 369.399 -0.005 20 0 FBADRM COCCn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccccc2)cn1 ZINC000776596788 660815763 /nfs/dbraw/zinc/81/57/63/660815763.db2.gz LRLYZRSFMQKMPL-KGLIPLIRSA-N -1 0 369.399 -0.005 20 0 FBADRM COCCn1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccccc2)cn1 ZINC000776596789 660815736 /nfs/dbraw/zinc/81/57/36/660815736.db2.gz LRLYZRSFMQKMPL-UONOGXRCSA-N -1 0 369.399 -0.005 20 0 FBADRM COCCn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccccc2)cn1 ZINC000776596790 660815728 /nfs/dbraw/zinc/81/57/28/660815728.db2.gz LRLYZRSFMQKMPL-ZIAGYGMSSA-N -1 0 369.399 -0.005 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccccc2)cc1C(N)=O ZINC000776597126 660815863 /nfs/dbraw/zinc/81/58/63/660815863.db2.gz AEEAOGJBOJVTHA-CHWSQXEVSA-N -1 0 367.383 -0.411 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccccc2)cc1C(N)=O ZINC000776597127 660815971 /nfs/dbraw/zinc/81/59/71/660815971.db2.gz AEEAOGJBOJVTHA-OLZOCXBDSA-N -1 0 367.383 -0.411 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccccc2)cc1C(N)=O ZINC000776597128 660815917 /nfs/dbraw/zinc/81/59/17/660815917.db2.gz AEEAOGJBOJVTHA-QWHCGFSZSA-N -1 0 367.383 -0.411 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccccc2)cc1C(N)=O ZINC000776597129 660816017 /nfs/dbraw/zinc/81/60/17/660816017.db2.gz AEEAOGJBOJVTHA-STQMWFEESA-N -1 0 367.383 -0.411 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC000776597992 660816000 /nfs/dbraw/zinc/81/60/00/660816000.db2.gz BCUIJVUKPRGYQT-CYBMUJFWSA-N -1 0 368.452 -0.315 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@@H](CC1CCOCC1)C(=O)[O-] ZINC000776598002 660815952 /nfs/dbraw/zinc/81/59/52/660815952.db2.gz BCUIJVUKPRGYQT-ZDUSSCGKSA-N -1 0 368.452 -0.315 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1 ZINC000776599881 660815927 /nfs/dbraw/zinc/81/59/27/660815927.db2.gz RKFOXSNXTQQTTP-NEPJUHHUSA-N -1 0 365.429 -0.473 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccccc1 ZINC000776599883 660815985 /nfs/dbraw/zinc/81/59/85/660815985.db2.gz RKFOXSNXTQQTTP-NWDGAFQWSA-N -1 0 365.429 -0.473 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccccc1 ZINC000776599884 660815963 /nfs/dbraw/zinc/81/59/63/660815963.db2.gz RKFOXSNXTQQTTP-RYUDHWBXSA-N -1 0 365.429 -0.473 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1 ZINC000776599888 660815846 /nfs/dbraw/zinc/81/58/46/660815846.db2.gz RKFOXSNXTQQTTP-VXGBXAGGSA-N -1 0 365.429 -0.473 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC000776600115 660815931 /nfs/dbraw/zinc/81/59/31/660815931.db2.gz FWENEDIROYVJOW-LLVKDONJSA-N -1 0 357.450 -0.390 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@@H](CC1CCOCC1)C(=O)[O-] ZINC000776600116 660815884 /nfs/dbraw/zinc/81/58/84/660815884.db2.gz FWENEDIROYVJOW-NSHDSACASA-N -1 0 357.450 -0.390 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC000776600311 660815943 /nfs/dbraw/zinc/81/59/43/660815943.db2.gz GTGIXMUCDKJGBG-LLVKDONJSA-N -1 0 352.409 -0.414 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](CC1CCOCC1)C(=O)[O-] ZINC000776600315 660815839 /nfs/dbraw/zinc/81/58/39/660815839.db2.gz GTGIXMUCDKJGBG-NSHDSACASA-N -1 0 352.409 -0.414 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC000776601739 660815995 /nfs/dbraw/zinc/81/59/95/660815995.db2.gz ORDLBJJWCNGXHO-LLVKDONJSA-N -1 0 372.465 -0.885 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](CC1CCOCC1)C(=O)[O-] ZINC000776601740 660815983 /nfs/dbraw/zinc/81/59/83/660815983.db2.gz ORDLBJJWCNGXHO-NSHDSACASA-N -1 0 372.465 -0.885 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](CC2CCOCC2)C(=O)[O-])cn1C ZINC000776601796 660815978 /nfs/dbraw/zinc/81/59/78/660815978.db2.gz PNWUFQIUEABWDB-GFCCVEGCSA-N -1 0 373.431 -0.067 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])cn1C ZINC000776601797 660815824 /nfs/dbraw/zinc/81/58/24/660815824.db2.gz PNWUFQIUEABWDB-LBPRGKRZSA-N -1 0 373.431 -0.067 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1 ZINC000776602114 660816014 /nfs/dbraw/zinc/81/60/14/660816014.db2.gz YFPBVWZPCFOJRK-CHWSQXEVSA-N -1 0 360.388 -0.498 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1 ZINC000776602126 660816032 /nfs/dbraw/zinc/81/60/32/660816032.db2.gz YFPBVWZPCFOJRK-OLZOCXBDSA-N -1 0 360.388 -0.498 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccccc1 ZINC000776602129 660815851 /nfs/dbraw/zinc/81/58/51/660815851.db2.gz YFPBVWZPCFOJRK-QWHCGFSZSA-N -1 0 360.388 -0.498 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccccc1 ZINC000776602133 660815949 /nfs/dbraw/zinc/81/59/49/660815949.db2.gz YFPBVWZPCFOJRK-STQMWFEESA-N -1 0 360.388 -0.498 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](CC2CCOCC2)C(=O)[O-])cc1C(N)=O ZINC000776602832 660815960 /nfs/dbraw/zinc/81/59/60/660815960.db2.gz STWJUNSXJGUDDU-LLVKDONJSA-N -1 0 359.404 -0.328 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])cc1C(N)=O ZINC000776602837 660815920 /nfs/dbraw/zinc/81/59/20/660815920.db2.gz STWJUNSXJGUDDU-NSHDSACASA-N -1 0 359.404 -0.328 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1 ZINC000776604002 660815914 /nfs/dbraw/zinc/81/59/14/660815914.db2.gz QXHACIMBWFGWCC-GHMZBOCLSA-N -1 0 351.402 -0.863 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1 ZINC000776604005 660815946 /nfs/dbraw/zinc/81/59/46/660815946.db2.gz QXHACIMBWFGWCC-MNOVXSKESA-N -1 0 351.402 -0.863 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccccc1 ZINC000776604006 660815902 /nfs/dbraw/zinc/81/59/02/660815902.db2.gz QXHACIMBWFGWCC-QWRGUYRKSA-N -1 0 351.402 -0.863 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccccc1 ZINC000776604008 660815912 /nfs/dbraw/zinc/81/59/12/660815912.db2.gz QXHACIMBWFGWCC-WDEREUQCSA-N -1 0 351.402 -0.863 20 0 FBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)N1CCN(C(=O)OCC)CC1)C(=O)[O-] ZINC000776612229 660815906 /nfs/dbraw/zinc/81/59/06/660815906.db2.gz BOZRJSWLCYFHBO-GHMZBOCLSA-N -1 0 367.424 -0.791 20 0 FBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)N1CCN(C(=O)OCC)CC1)C(=O)[O-] ZINC000776612230 660815890 /nfs/dbraw/zinc/81/58/90/660815890.db2.gz BOZRJSWLCYFHBO-MNOVXSKESA-N -1 0 367.424 -0.791 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)N1CCN(C(=O)OCC)CC1)C(=O)[O-] ZINC000776612231 660815975 /nfs/dbraw/zinc/81/59/75/660815975.db2.gz BOZRJSWLCYFHBO-QWRGUYRKSA-N -1 0 367.424 -0.791 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)N1CCN(C(=O)OCC)CC1)C(=O)[O-] ZINC000776612232 660816004 /nfs/dbraw/zinc/81/60/04/660816004.db2.gz BOZRJSWLCYFHBO-WDEREUQCSA-N -1 0 367.424 -0.791 20 0 FBADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000776615355 660816020 /nfs/dbraw/zinc/81/60/20/660816020.db2.gz KVFWLEBKCJJSCK-GHMZBOCLSA-N -1 0 352.409 -0.726 20 0 FBADRM CCC[C@@H](O)[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000776615357 660816210 /nfs/dbraw/zinc/81/62/10/660816210.db2.gz KVFWLEBKCJJSCK-MNOVXSKESA-N -1 0 352.409 -0.726 20 0 FBADRM CCC[C@H](O)[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000776615359 660816188 /nfs/dbraw/zinc/81/61/88/660816188.db2.gz KVFWLEBKCJJSCK-QWRGUYRKSA-N -1 0 352.409 -0.726 20 0 FBADRM CCC[C@H](O)[C@@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000776615361 660816190 /nfs/dbraw/zinc/81/61/90/660816190.db2.gz KVFWLEBKCJJSCK-WDEREUQCSA-N -1 0 352.409 -0.726 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000776620385 604275162 /nfs/dbraw/zinc/27/51/62/604275162.db2.gz PTMYDAYBPGKICM-LLVKDONJSA-N -1 0 351.421 -0.082 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000776620386 604275009 /nfs/dbraw/zinc/27/50/09/604275009.db2.gz PTMYDAYBPGKICM-NSHDSACASA-N -1 0 351.421 -0.082 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000776624800 660816187 /nfs/dbraw/zinc/81/61/87/660816187.db2.gz WLXGRHKPCPTDOD-LLVKDONJSA-N -1 0 369.392 -0.378 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000776624801 660816230 /nfs/dbraw/zinc/81/62/30/660816230.db2.gz WLXGRHKPCPTDOD-NSHDSACASA-N -1 0 369.392 -0.378 20 0 FBADRM COC[C@@H](NS(=O)(=O)CCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000776625234 660816244 /nfs/dbraw/zinc/81/62/44/660816244.db2.gz GCXDJHIJPBFABV-GFCCVEGCSA-N -1 0 360.388 -0.068 20 0 FBADRM COC[C@H](NS(=O)(=O)CCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000776625235 660816186 /nfs/dbraw/zinc/81/61/86/660816186.db2.gz GCXDJHIJPBFABV-LBPRGKRZSA-N -1 0 360.388 -0.068 20 0 FBADRM COC[C@H](NS(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)[O-] ZINC000776625933 660816250 /nfs/dbraw/zinc/81/62/50/660816250.db2.gz JXZXWNCJKGFHGS-LURJTMIESA-N -1 0 352.752 -0.101 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)[O-] ZINC000776625934 660816216 /nfs/dbraw/zinc/81/62/16/660816216.db2.gz JXZXWNCJKGFHGS-ZCFIWIBFSA-N -1 0 352.752 -0.101 20 0 FBADRM COc1cc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cnc1Cl ZINC000776627245 660816185 /nfs/dbraw/zinc/81/61/85/660816185.db2.gz HKRHTDVNMICCDV-UHFFFAOYSA-N -1 0 361.767 -0.102 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(=O)[O-] ZINC000776627332 660816189 /nfs/dbraw/zinc/81/61/89/660816189.db2.gz SIHAMUVJCLFPRW-SECBINFHSA-N -1 0 355.365 -0.393 20 0 FBADRM COC[C@H](NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(=O)[O-] ZINC000776627333 660816232 /nfs/dbraw/zinc/81/62/32/660816232.db2.gz SIHAMUVJCLFPRW-VIFPVBQESA-N -1 0 355.365 -0.393 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)ccc1F ZINC000776627741 660816238 /nfs/dbraw/zinc/81/62/38/660816238.db2.gz JVTJJXDXUDPUKN-UHFFFAOYSA-N -1 0 372.334 -0.233 20 0 FBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000776628226 660816225 /nfs/dbraw/zinc/81/62/25/660816225.db2.gz NKYIJWVSLMHXHY-UHFFFAOYSA-N -1 0 372.363 -0.951 20 0 FBADRM COC(=O)c1ccc(F)c(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000776628426 660816172 /nfs/dbraw/zinc/81/61/72/660816172.db2.gz SFYHXOJSXUFUJJ-UHFFFAOYSA-N -1 0 372.334 -0.233 20 0 FBADRM Cn1c(Cl)ncc1S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000776635525 660816241 /nfs/dbraw/zinc/81/62/41/660816241.db2.gz KJKDOFWAYIKQBB-SSDOTTSWSA-N -1 0 350.784 -0.715 20 0 FBADRM Cn1c(Cl)ncc1S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000776635527 660816211 /nfs/dbraw/zinc/81/62/11/660816211.db2.gz KJKDOFWAYIKQBB-ZETCQYMHSA-N -1 0 350.784 -0.715 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2ccc3c(c2)C(=O)OC3)C1 ZINC000776636007 660816181 /nfs/dbraw/zinc/81/61/81/660816181.db2.gz OGRYJKKVMVVNEL-JTQLQIEISA-N -1 0 368.367 -0.432 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2ccc3c(c2)C(=O)OC3)C1 ZINC000776636008 660816277 /nfs/dbraw/zinc/81/62/77/660816277.db2.gz OGRYJKKVMVVNEL-SNVBAGLBSA-N -1 0 368.367 -0.432 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2cccc3c2COC3=O)C1 ZINC000776636310 660816193 /nfs/dbraw/zinc/81/61/93/660816193.db2.gz PQNHCZNCNGQWKW-SECBINFHSA-N -1 0 368.367 -0.432 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2cccc3c2COC3=O)C1 ZINC000776636311 660816223 /nfs/dbraw/zinc/81/62/23/660816223.db2.gz PQNHCZNCNGQWKW-VIFPVBQESA-N -1 0 368.367 -0.432 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2cccc3nonc32)C1 ZINC000776636375 660816234 /nfs/dbraw/zinc/81/62/34/660816234.db2.gz RKNPHBSRAWJGAM-MRVPVSSYSA-N -1 0 354.344 -0.566 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2cccc3nonc32)C1 ZINC000776636376 660816281 /nfs/dbraw/zinc/81/62/81/660816281.db2.gz RKNPHBSRAWJGAM-QMMMGPOBSA-N -1 0 354.344 -0.566 20 0 FBADRM Cn1cc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)nc1Cl ZINC000776636683 660816289 /nfs/dbraw/zinc/81/62/89/660816289.db2.gz VLCCTLRBIWXWNW-SSDOTTSWSA-N -1 0 350.784 -0.715 20 0 FBADRM Cn1cc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)nc1Cl ZINC000776636684 660816255 /nfs/dbraw/zinc/81/62/55/660816255.db2.gz VLCCTLRBIWXWNW-ZETCQYMHSA-N -1 0 350.784 -0.715 20 0 FBADRM O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)c1cccc2nonc21 ZINC000776642702 660816586 /nfs/dbraw/zinc/81/65/86/660816586.db2.gz IBMFESFRRPPGIE-JTQLQIEISA-N -1 0 356.360 -0.714 20 0 FBADRM O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)c1cccc2nonc21 ZINC000776642703 660816481 /nfs/dbraw/zinc/81/64/81/660816481.db2.gz IBMFESFRRPPGIE-SNVBAGLBSA-N -1 0 356.360 -0.714 20 0 FBADRM Cc1cc(C)n(C[C@@H](NS(=O)(=O)N(C)C2CCOCC2)C(=O)[O-])n1 ZINC000776643142 660816548 /nfs/dbraw/zinc/81/65/48/660816548.db2.gz CTEHOQOICHKNLC-CYBMUJFWSA-N -1 0 360.436 -0.102 20 0 FBADRM Cc1cc(C)n(C[C@H](NS(=O)(=O)N(C)C2CCOCC2)C(=O)[O-])n1 ZINC000776643145 660816531 /nfs/dbraw/zinc/81/65/31/660816531.db2.gz CTEHOQOICHKNLC-ZDUSSCGKSA-N -1 0 360.436 -0.102 20 0 FBADRM Cc1cnn(C[C@@H](NS(=O)(=O)N2CCC3(CC2)OCCO3)C(=O)[O-])c1 ZINC000776645909 660816592 /nfs/dbraw/zinc/81/65/92/660816592.db2.gz WVOKWPKZHSGEDT-GFCCVEGCSA-N -1 0 374.419 -0.682 20 0 FBADRM Cc1cnn(C[C@H](NS(=O)(=O)N2CCC3(CC2)OCCO3)C(=O)[O-])c1 ZINC000776645941 660816561 /nfs/dbraw/zinc/81/65/61/660816561.db2.gz WVOKWPKZHSGEDT-LBPRGKRZSA-N -1 0 374.419 -0.682 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])CC1 ZINC000776648019 660816524 /nfs/dbraw/zinc/81/65/24/660816524.db2.gz TXRPCCPGYWHLQL-SECBINFHSA-N -1 0 353.422 -0.535 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])CC1 ZINC000776648020 660816558 /nfs/dbraw/zinc/81/65/58/660816558.db2.gz TXRPCCPGYWHLQL-VIFPVBQESA-N -1 0 353.422 -0.535 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776653592 660816528 /nfs/dbraw/zinc/81/65/28/660816528.db2.gz IBUKFSDSPNHNFJ-GFCCVEGCSA-N -1 0 357.313 -0.151 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776653593 660816474 /nfs/dbraw/zinc/81/64/74/660816474.db2.gz IBUKFSDSPNHNFJ-LBPRGKRZSA-N -1 0 357.313 -0.151 20 0 FBADRM C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776659949 660816590 /nfs/dbraw/zinc/81/65/90/660816590.db2.gz FDTLGLXVTWYZCC-NXEZZACHSA-N -1 0 352.434 -0.082 20 0 FBADRM C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776659958 660816434 /nfs/dbraw/zinc/81/64/34/660816434.db2.gz FDTLGLXVTWYZCC-UWVGGRQHSA-N -1 0 352.434 -0.082 20 0 FBADRM C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776660103 660816484 /nfs/dbraw/zinc/81/64/84/660816484.db2.gz FDTLGLXVTWYZCC-VHSXEESVSA-N -1 0 352.434 -0.082 20 0 FBADRM C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776660105 660816571 /nfs/dbraw/zinc/81/65/71/660816571.db2.gz FDTLGLXVTWYZCC-ZJUUUORDSA-N -1 0 352.434 -0.082 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2[C@@H](C)SC[C@@H]2C(=O)[O-])CC1 ZINC000776660178 660816567 /nfs/dbraw/zinc/81/65/67/660816567.db2.gz GPGZKWSGMSRPJV-NXEZZACHSA-N -1 0 367.449 -0.147 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2[C@H](C(=O)[O-])CS[C@H]2C)CC1 ZINC000776660180 660816420 /nfs/dbraw/zinc/81/64/20/660816420.db2.gz GPGZKWSGMSRPJV-UWVGGRQHSA-N -1 0 367.449 -0.147 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2[C@H](C)SC[C@@H]2C(=O)[O-])CC1 ZINC000776660181 660816545 /nfs/dbraw/zinc/81/65/45/660816545.db2.gz GPGZKWSGMSRPJV-VHSXEESVSA-N -1 0 367.449 -0.147 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2[C@@H](C)SC[C@H]2C(=O)[O-])CC1 ZINC000776660183 660816506 /nfs/dbraw/zinc/81/65/06/660816506.db2.gz GPGZKWSGMSRPJV-ZJUUUORDSA-N -1 0 367.449 -0.147 20 0 FBADRM Cn1cc(/C=C\C(=O)NC2(C(=O)[O-])CCSCC2)c(=O)n(C)c1=O ZINC000776663673 660816836 /nfs/dbraw/zinc/81/68/36/660816836.db2.gz HOLFJOBXIHWUFZ-ARJAWSKDSA-N -1 0 353.400 -0.436 20 0 FBADRM Cn1cc(/C=C/C(=O)NC2(C(=O)[O-])CCSCC2)c(=O)n(C)c1=O ZINC000776663679 660816834 /nfs/dbraw/zinc/81/68/34/660816834.db2.gz HOLFJOBXIHWUFZ-ONEGZZNKSA-N -1 0 353.400 -0.436 20 0 FBADRM COC[C@](C)(NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000776672950 601692162 /nfs/dbraw/zinc/69/21/62/601692162.db2.gz JQQPEUQXHZLEPR-HNNXBMFYSA-N -1 0 369.399 -0.327 20 0 FBADRM COC[C@@](C)(NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000776672967 601692129 /nfs/dbraw/zinc/69/21/29/601692129.db2.gz JQQPEUQXHZLEPR-OAHLLOKOSA-N -1 0 369.399 -0.327 20 0 FBADRM COC(=O)c1nc(Cl)ccc1S(=O)(=O)N(CCO)CCC(=O)[O-] ZINC000776678256 660816828 /nfs/dbraw/zinc/81/68/28/660816828.db2.gz DEWRSXFNYSXWQD-UHFFFAOYSA-N -1 0 366.779 -0.021 20 0 FBADRM COC(=O)c1ccc(OC)c(S(=O)(=O)N(CCO)CCC(=O)[O-])c1 ZINC000776678972 660816802 /nfs/dbraw/zinc/81/68/02/660816802.db2.gz NHJYYTSUSGZGIQ-UHFFFAOYSA-N -1 0 361.372 -0.061 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)N(CCO)CCC(=O)[O-])ccc1F ZINC000776679535 660816747 /nfs/dbraw/zinc/81/67/47/660816747.db2.gz WCEKDQBQENZJHI-UHFFFAOYSA-N -1 0 369.392 -0.313 20 0 FBADRM CN(CC(=O)N[C@@]1(C(=O)[O-])CCOC1)C1=NS(=O)(=O)c2ccccc21 ZINC000776680613 601726196 /nfs/dbraw/zinc/72/61/96/601726196.db2.gz YQCSOVJEOKYXQE-HNNXBMFYSA-N -1 0 367.383 -0.573 20 0 FBADRM CN(CC(=O)N[C@]1(C(=O)[O-])CCOC1)C1=NS(=O)(=O)c2ccccc21 ZINC000776680614 601726255 /nfs/dbraw/zinc/72/62/55/601726255.db2.gz YQCSOVJEOKYXQE-OAHLLOKOSA-N -1 0 367.383 -0.573 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)N(CCO)CCC(=O)[O-])CC1 ZINC000776680640 660816713 /nfs/dbraw/zinc/81/67/13/660816713.db2.gz AGSTWTNLXLJVGK-UHFFFAOYSA-N -1 0 352.409 -0.294 20 0 FBADRM O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000776680803 601722973 /nfs/dbraw/zinc/72/29/73/601722973.db2.gz GTJDUOINUAVSGZ-MSOLQXFVSA-N -1 0 373.365 -0.260 20 0 FBADRM O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000776680810 601722967 /nfs/dbraw/zinc/72/29/67/601722967.db2.gz GTJDUOINUAVSGZ-QZTJIDSGSA-N -1 0 373.365 -0.260 20 0 FBADRM O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000776680811 601722984 /nfs/dbraw/zinc/72/29/84/601722984.db2.gz GTJDUOINUAVSGZ-ROUUACIJSA-N -1 0 373.365 -0.260 20 0 FBADRM O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000776680812 601723333 /nfs/dbraw/zinc/72/33/33/601723333.db2.gz GTJDUOINUAVSGZ-ZWKOTPCHSA-N -1 0 373.365 -0.260 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])CC1 ZINC000776681151 660816771 /nfs/dbraw/zinc/81/67/71/660816771.db2.gz GSAKUASTAZWYLZ-KOLCDFICSA-N -1 0 350.393 -0.543 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000776681162 660816868 /nfs/dbraw/zinc/81/68/68/660816868.db2.gz GYTGZEXLKKXXSR-OCCSQVGLSA-N -1 0 356.400 -0.426 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC000776681337 660816852 /nfs/dbraw/zinc/81/68/52/660816852.db2.gz UIXYBFPDOODJBA-OLZOCXBDSA-N -1 0 372.399 -0.238 20 0 FBADRM O=C([O-])CN(CCO)S(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 ZINC000776682908 660816856 /nfs/dbraw/zinc/81/68/56/660816856.db2.gz HYFWSTOLAFYDFC-UHFFFAOYSA-N -1 0 372.399 -0.284 20 0 FBADRM O=C([O-])CN(CCO)S(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC000776683432 660816838 /nfs/dbraw/zinc/81/68/38/660816838.db2.gz MELJHHRGKMVXGY-UHFFFAOYSA-N -1 0 360.388 -0.379 20 0 FBADRM COC(=O)c1c(F)ccc(S(=O)(=O)N(CCO)CC(=O)[O-])c1F ZINC000776684108 660816865 /nfs/dbraw/zinc/81/68/65/660816865.db2.gz SXADVOIUUMBNGB-UHFFFAOYSA-N -1 0 353.299 -0.181 20 0 FBADRM COC(=O)c1nc(Cl)ccc1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000776684508 660816717 /nfs/dbraw/zinc/81/67/17/660816717.db2.gz ZTKWHSLTHARYFO-UHFFFAOYSA-N -1 0 352.752 -0.411 20 0 FBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776684863 660816807 /nfs/dbraw/zinc/81/68/07/660816807.db2.gz GETRKRUSDNWNOR-LLVKDONJSA-N -1 0 352.409 -0.772 20 0 FBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776684864 660816766 /nfs/dbraw/zinc/81/67/66/660816766.db2.gz GETRKRUSDNWNOR-NSHDSACASA-N -1 0 352.409 -0.772 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1 ZINC000776684874 660816743 /nfs/dbraw/zinc/81/67/43/660816743.db2.gz GSAKUASTAZWYLZ-MWLCHTKSSA-N -1 0 350.393 -0.543 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC000776684886 660816850 /nfs/dbraw/zinc/81/68/50/660816850.db2.gz GYTGZEXLKKXXSR-TZMCWYRMSA-N -1 0 356.400 -0.426 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-])CC1 ZINC000776684995 660816859 /nfs/dbraw/zinc/81/68/59/660816859.db2.gz HZMSWFPJSNKMHA-LLVKDONJSA-N -1 0 367.424 -0.837 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-])CC1 ZINC000776684996 660816845 /nfs/dbraw/zinc/81/68/45/660816845.db2.gz HZMSWFPJSNKMHA-NSHDSACASA-N -1 0 367.424 -0.837 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000776685063 660816707 /nfs/dbraw/zinc/81/67/07/660816707.db2.gz LEXPAXDUPMZVTA-SSDOTTSWSA-N -1 0 350.374 -0.206 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000776685064 660816758 /nfs/dbraw/zinc/81/67/58/660816758.db2.gz LEXPAXDUPMZVTA-ZETCQYMHSA-N -1 0 350.374 -0.206 20 0 FBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC000776685721 660816811 /nfs/dbraw/zinc/81/68/11/660816811.db2.gz UIXYBFPDOODJBA-CHWSQXEVSA-N -1 0 372.399 -0.238 20 0 FBADRM O=C([O-])C[C@@H]1COCCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000776689908 660816753 /nfs/dbraw/zinc/81/67/53/660816753.db2.gz LOTMBLBAWUSMMW-GFCCVEGCSA-N -1 0 360.432 -0.107 20 0 FBADRM O=C([O-])C[C@H]1COCCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000776689909 660816847 /nfs/dbraw/zinc/81/68/47/660816847.db2.gz LOTMBLBAWUSMMW-LBPRGKRZSA-N -1 0 360.432 -0.107 20 0 FBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000776690481 660816791 /nfs/dbraw/zinc/81/67/91/660816791.db2.gz ZAIGUHVYAMTKIC-SECBINFHSA-N -1 0 361.376 -0.241 20 0 FBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000776690485 660816761 /nfs/dbraw/zinc/81/67/61/660816761.db2.gz ZAIGUHVYAMTKIC-VIFPVBQESA-N -1 0 361.376 -0.241 20 0 FBADRM O=C([O-])COC1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000776695450 660816729 /nfs/dbraw/zinc/81/67/29/660816729.db2.gz KKPJAEUZGLDSSH-UHFFFAOYSA-N -1 0 367.387 -0.083 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCC(OCC(=O)[O-])CC1 ZINC000776695648 660817109 /nfs/dbraw/zinc/81/71/09/660817109.db2.gz GFZBZVCYGFXNFR-UHFFFAOYSA-N -1 0 354.425 -0.608 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCC(OCC(=O)[O-])CC2)cn1 ZINC000776696461 660817175 /nfs/dbraw/zinc/81/71/75/660817175.db2.gz WBQOINFVBBWMQQ-UHFFFAOYSA-N -1 0 361.376 -0.690 20 0 FBADRM O=C([O-])COC1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000776697206 660817043 /nfs/dbraw/zinc/81/70/43/660817043.db2.gz YCEQRJYAFTWTCV-UHFFFAOYSA-N -1 0 367.387 -0.083 20 0 FBADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000776699166 660817153 /nfs/dbraw/zinc/81/71/53/660817153.db2.gz BSYVWZAEETWZMD-JTQLQIEISA-N -1 0 369.392 -0.051 20 0 FBADRM COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000776699171 660817170 /nfs/dbraw/zinc/81/71/70/660817170.db2.gz BSYVWZAEETWZMD-SNVBAGLBSA-N -1 0 369.392 -0.051 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N(C)[C@@H](COC)C(=O)[O-])CC1 ZINC000776699236 660817117 /nfs/dbraw/zinc/81/71/17/660817117.db2.gz CZJBKECDYDQXQT-JTQLQIEISA-N -1 0 353.397 -0.963 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N(C)[C@H](COC)C(=O)[O-])CC1 ZINC000776699237 660817168 /nfs/dbraw/zinc/81/71/68/660817168.db2.gz CZJBKECDYDQXQT-SNVBAGLBSA-N -1 0 353.397 -0.963 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)N(C)[C@H](COC)C(=O)[O-])CC1 ZINC000776700541 660817102 /nfs/dbraw/zinc/81/71/02/660817102.db2.gz KTLZEUMPDJHKRM-LLVKDONJSA-N -1 0 352.409 -0.032 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)N(C)[C@@H](COC)C(=O)[O-])CC1 ZINC000776700542 660817019 /nfs/dbraw/zinc/81/70/19/660817019.db2.gz KTLZEUMPDJHKRM-NSHDSACASA-N -1 0 352.409 -0.032 20 0 FBADRM COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000776701650 601582836 /nfs/dbraw/zinc/58/28/36/601582836.db2.gz UAPVXLLNEOARNO-SSDOTTSWSA-N -1 0 364.763 -0.004 20 0 FBADRM COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000776701657 601582881 /nfs/dbraw/zinc/58/28/81/601582881.db2.gz UAPVXLLNEOARNO-ZETCQYMHSA-N -1 0 364.763 -0.004 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])CC1 ZINC000776702205 601393379 /nfs/dbraw/zinc/39/33/79/601393379.db2.gz XCRNTQWZMYHFIO-LLVKDONJSA-N -1 0 350.393 -0.278 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])CC1 ZINC000776702210 601393540 /nfs/dbraw/zinc/39/35/40/601393540.db2.gz XCRNTQWZMYHFIO-NSHDSACASA-N -1 0 350.393 -0.278 20 0 FBADRM CCc1ncc(CN(CC(=O)[O-])S(=O)(=O)CCS(C)(=O)=O)s1 ZINC000776708787 660817145 /nfs/dbraw/zinc/81/71/45/660817145.db2.gz YOWRYCXRBWLHDX-UHFFFAOYSA-N -1 0 370.474 -0.034 20 0 FBADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776712570 660817124 /nfs/dbraw/zinc/81/71/24/660817124.db2.gz CRDIWRZTQRDFPX-LLVKDONJSA-N -1 0 352.409 -0.508 20 0 FBADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000776712572 660817133 /nfs/dbraw/zinc/81/71/33/660817133.db2.gz CRDIWRZTQRDFPX-NSHDSACASA-N -1 0 352.409 -0.508 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)N(C)C1CCOCC1 ZINC000776713061 597698736 /nfs/dbraw/zinc/69/87/36/597698736.db2.gz GNGMTOKJTXJGPX-JTQLQIEISA-N -1 0 351.425 -0.747 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)N(C)C1CCOCC1 ZINC000776713063 597698840 /nfs/dbraw/zinc/69/88/40/597698840.db2.gz GNGMTOKJTXJGPX-SNVBAGLBSA-N -1 0 351.425 -0.747 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)cc1C(N)=O ZINC000776713817 660817142 /nfs/dbraw/zinc/81/71/42/660817142.db2.gz BNDHUTZFJRIDCN-UHFFFAOYSA-N -1 0 370.387 -0.492 20 0 FBADRM COc1cc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])cnc1Cl ZINC000776713923 660817038 /nfs/dbraw/zinc/81/70/38/660817038.db2.gz DPWASPPUHPIRAY-HXNGOWOSSA-N -1 0 368.820 -0.050 20 0 FBADRM COc1cc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])cnc1Cl ZINC000776713924 660817033 /nfs/dbraw/zinc/81/70/33/660817033.db2.gz DPWASPPUHPIRAY-IJSAXESFSA-N -1 0 368.820 -0.050 20 0 FBADRM COc1cc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])cnc1Cl ZINC000776713925 660817159 /nfs/dbraw/zinc/81/71/59/660817159.db2.gz DPWASPPUHPIRAY-PPRQPISWSA-N -1 0 368.820 -0.050 20 0 FBADRM COc1cc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])cnc1Cl ZINC000776713926 660817180 /nfs/dbraw/zinc/81/71/80/660817180.db2.gz DPWASPPUHPIRAY-ZEDNOMKYSA-N -1 0 368.820 -0.050 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC000776714044 660817112 /nfs/dbraw/zinc/81/71/12/660817112.db2.gz FJYSDCJDVAIYPM-UHFFFAOYSA-N -1 0 363.392 -0.578 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccnc1Cl ZINC000776714750 660817462 /nfs/dbraw/zinc/81/74/62/660817462.db2.gz NEIOXVBIIHNRSY-SSDOTTSWSA-N -1 0 354.793 -0.393 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccnc1Cl ZINC000776714754 660817409 /nfs/dbraw/zinc/81/74/09/660817409.db2.gz NEIOXVBIIHNRSY-ZETCQYMHSA-N -1 0 354.793 -0.393 20 0 FBADRM COCCn1cc(S(=O)(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)cn1 ZINC000776714883 660817453 /nfs/dbraw/zinc/81/74/53/660817453.db2.gz JHIZKWZSEHEZDZ-UHFFFAOYSA-N -1 0 372.403 -0.086 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000776714939 597700349 /nfs/dbraw/zinc/70/03/49/597700349.db2.gz OUYQCDFKUJHZIG-SECBINFHSA-N -1 0 370.383 -0.043 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000776714940 597700288 /nfs/dbraw/zinc/70/02/88/597700288.db2.gz OUYQCDFKUJHZIG-VIFPVBQESA-N -1 0 370.383 -0.043 20 0 FBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000776716167 660817420 /nfs/dbraw/zinc/81/74/20/660817420.db2.gz NVEODZUHHRIQNA-GLEHDBDLSA-N -1 0 355.825 -0.412 20 0 FBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000776716176 660817321 /nfs/dbraw/zinc/81/73/21/660817321.db2.gz NVEODZUHHRIQNA-JKNYTWMOSA-N -1 0 355.825 -0.412 20 0 FBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000776716177 660817476 /nfs/dbraw/zinc/81/74/76/660817476.db2.gz NVEODZUHHRIQNA-JLPJYYFKSA-N -1 0 355.825 -0.412 20 0 FBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000776716178 660817308 /nfs/dbraw/zinc/81/73/08/660817308.db2.gz NVEODZUHHRIQNA-SVWIBVJCSA-N -1 0 355.825 -0.412 20 0 FBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000776716197 660817391 /nfs/dbraw/zinc/81/73/91/660817391.db2.gz OMFCIHXGRUFWFI-BGJPBQGDSA-N -1 0 371.392 -0.001 20 0 FBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000776716200 660817438 /nfs/dbraw/zinc/81/74/38/660817438.db2.gz OMFCIHXGRUFWFI-BSNNYGBQSA-N -1 0 371.392 -0.001 20 0 FBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000776716201 660817273 /nfs/dbraw/zinc/81/72/73/660817273.db2.gz OMFCIHXGRUFWFI-QVQLBTGDSA-N -1 0 371.392 -0.001 20 0 FBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000776716203 660817473 /nfs/dbraw/zinc/81/74/73/660817473.db2.gz OMFCIHXGRUFWFI-RULNZOCKSA-N -1 0 371.392 -0.001 20 0 FBADRM COCCOCCS(=O)(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC000776716496 660817483 /nfs/dbraw/zinc/81/74/83/660817483.db2.gz QNCJYXMVBLIDMY-UHFFFAOYSA-N -1 0 350.393 -0.325 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cnc(Cl)n1C ZINC000776716827 597700289 /nfs/dbraw/zinc/70/02/89/597700289.db2.gz VOCPOLWJKYZUKW-SSDOTTSWSA-N -1 0 352.800 -0.327 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cnc(Cl)n1C ZINC000776716845 597699879 /nfs/dbraw/zinc/69/98/79/597699879.db2.gz VOCPOLWJKYZUKW-ZETCQYMHSA-N -1 0 352.800 -0.327 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cccc2c1COC2=O ZINC000776716958 597700036 /nfs/dbraw/zinc/70/00/36/597700036.db2.gz WBZUHDJWJXOGPM-SECBINFHSA-N -1 0 370.383 -0.043 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cccc2c1COC2=O ZINC000776716959 597700319 /nfs/dbraw/zinc/70/03/19/597700319.db2.gz WBZUHDJWJXOGPM-VIFPVBQESA-N -1 0 370.383 -0.043 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N(CCOC)[C@H](C)C(=O)[O-])CC1 ZINC000776717597 660817381 /nfs/dbraw/zinc/81/73/81/660817381.db2.gz ZIQUHCKZDOPPDY-LLVKDONJSA-N -1 0 367.424 -0.573 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N(CCOC)[C@@H](C)C(=O)[O-])CC1 ZINC000776717598 660817426 /nfs/dbraw/zinc/81/74/26/660817426.db2.gz ZIQUHCKZDOPPDY-NSHDSACASA-N -1 0 367.424 -0.573 20 0 FBADRM CCOC(=O)c1ncccc1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000776786559 660817741 /nfs/dbraw/zinc/81/77/41/660817741.db2.gz FSHBSXCXOSOTBZ-UHFFFAOYSA-N -1 0 368.371 -0.544 20 0 FBADRM C[C@@H](O)c1cn(CC(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)nn1 ZINC000777115525 660819508 /nfs/dbraw/zinc/81/95/08/660819508.db2.gz PQYUXWAWMBSLOO-SECBINFHSA-N -1 0 365.371 -0.103 20 0 FBADRM C[C@H](O)c1cn(CC(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)nn1 ZINC000777115600 660819496 /nfs/dbraw/zinc/81/94/96/660819496.db2.gz PQYUXWAWMBSLOO-VIFPVBQESA-N -1 0 365.371 -0.103 20 0 FBADRM COC(=O)[C@@](C)(O)CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000777182886 660819652 /nfs/dbraw/zinc/81/96/52/660819652.db2.gz ILUXUSLSJWXTKK-HNNXBMFYSA-N -1 0 351.384 -0.275 20 0 FBADRM COC(=O)[C@](C)(O)CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000777182887 660819767 /nfs/dbraw/zinc/81/97/67/660819767.db2.gz ILUXUSLSJWXTKK-OAHLLOKOSA-N -1 0 351.384 -0.275 20 0 FBADRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)[N-]S(C)(=O)=O ZINC000777284707 660820068 /nfs/dbraw/zinc/82/00/68/660820068.db2.gz IGWVYDAJRJSNKS-JTQLQIEISA-N -1 0 351.425 -0.272 20 0 FBADRM CCCCS(=O)(=O)[N-]C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000777285117 660819949 /nfs/dbraw/zinc/81/99/49/660819949.db2.gz BWMJROIUUGJWRO-UHFFFAOYSA-N -1 0 351.425 -0.127 20 0 FBADRM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000777286668 660819966 /nfs/dbraw/zinc/81/99/66/660819966.db2.gz VFFDPPNIQSVTGW-SNVBAGLBSA-N -1 0 363.436 -0.032 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000777287694 660820064 /nfs/dbraw/zinc/82/00/64/660820064.db2.gz QUUYUJQVNMFCCM-UHFFFAOYSA-N -1 0 372.403 -0.473 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)COC2CN(C(=O)OC(C)(C)C)C2)cn1 ZINC000777291665 660819973 /nfs/dbraw/zinc/81/99/73/660819973.db2.gz QPWKVMYGHZRRON-UHFFFAOYSA-N -1 0 374.419 -0.139 20 0 FBADRM COc1nc(C)ccc1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000777294508 660819942 /nfs/dbraw/zinc/81/99/42/660819942.db2.gz MGUPVWXWTOCUCW-UHFFFAOYSA-N -1 0 352.372 -0.045 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000777295798 660819956 /nfs/dbraw/zinc/81/99/56/660819956.db2.gz GGIIUBSILKICDW-UHFFFAOYSA-N -1 0 364.424 -0.916 20 0 FBADRM CC(C)CS(=O)(=O)[N-]C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000777299417 660819952 /nfs/dbraw/zinc/81/99/52/660819952.db2.gz AVKVVLCAYCDGFX-UHFFFAOYSA-N -1 0 351.425 -0.271 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cnc(C)nc2C)CC1 ZINC000777307539 660820420 /nfs/dbraw/zinc/82/04/20/660820420.db2.gz QCVARAFVNYCXAB-UHFFFAOYSA-N -1 0 356.404 -0.047 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000777309078 660820404 /nfs/dbraw/zinc/82/04/04/660820404.db2.gz HAEVICKBVLWCNV-JTQLQIEISA-N -1 0 363.436 -0.032 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000777309079 660820250 /nfs/dbraw/zinc/82/02/50/660820250.db2.gz HAEVICKBVLWCNV-SNVBAGLBSA-N -1 0 363.436 -0.032 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)COC1CN(C(=O)OC(C)(C)C)C1 ZINC000777309406 660820256 /nfs/dbraw/zinc/82/02/56/660820256.db2.gz KYWKJIFEBRDAJH-UHFFFAOYSA-N -1 0 352.409 -0.285 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000777310109 660820429 /nfs/dbraw/zinc/82/04/29/660820429.db2.gz IAGIOHZKQWPIBP-UHFFFAOYSA-N -1 0 366.440 -0.672 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000777311889 660820441 /nfs/dbraw/zinc/82/04/41/660820441.db2.gz ZTRWHVBIWPKQHD-UHFFFAOYSA-N -1 0 367.424 -0.890 20 0 FBADRM CC(C)(C)OC(=O)N1CC(OCC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)C1 ZINC000777319349 660820456 /nfs/dbraw/zinc/82/04/56/660820456.db2.gz NUPDFIQKRVLZSB-LLVKDONJSA-N -1 0 364.420 -0.143 20 0 FBADRM CC(C)(C)OC(=O)N1CC(OCC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)C1 ZINC000777319350 660820444 /nfs/dbraw/zinc/82/04/44/660820444.db2.gz NUPDFIQKRVLZSB-NSHDSACASA-N -1 0 364.420 -0.143 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000777319378 660820424 /nfs/dbraw/zinc/82/04/24/660820424.db2.gz ORIUUERSQMROTM-SECBINFHSA-N -1 0 367.424 -0.892 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000777319379 660820238 /nfs/dbraw/zinc/82/02/38/660820238.db2.gz ORIUUERSQMROTM-VIFPVBQESA-N -1 0 367.424 -0.892 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)[N-]S(=O)(=O)c1ccccn1 ZINC000777319713 660820371 /nfs/dbraw/zinc/82/03/71/660820371.db2.gz BCYGXPMJOWOITD-UHFFFAOYSA-N -1 0 372.403 -0.473 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)COC1CN(C(=O)OC(C)(C)C)C1 ZINC000777323246 660820273 /nfs/dbraw/zinc/82/02/73/660820273.db2.gz FBWHEUFALWERQX-UHFFFAOYSA-N -1 0 351.425 -0.065 20 0 FBADRM C[C@@H](CC(=O)[N-]S(=O)(=O)N1CCOCC1)NC(=O)OC(C)(C)C ZINC000777324421 660820414 /nfs/dbraw/zinc/82/04/14/660820414.db2.gz ILWUVODRXXZEPX-JTQLQIEISA-N -1 0 351.425 -0.017 20 0 FBADRM CC(C)(C)OC(=O)N1CC(CC(=O)[N-]S(=O)(=O)N2CCOCC2)C1 ZINC000777327194 660820318 /nfs/dbraw/zinc/82/03/18/660820318.db2.gz ZNOCLINUIHHADA-UHFFFAOYSA-N -1 0 363.436 -0.063 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)[N-]S(=O)(=O)CCCF ZINC000777328275 660820288 /nfs/dbraw/zinc/82/02/88/660820288.db2.gz YZGWWEGLBPZKCB-UHFFFAOYSA-N -1 0 355.388 -0.567 20 0 FBADRM CC(C)(C)OC(=O)N1CC(OCC(=O)[N-]S(=O)(=O)c2cnccn2)C1 ZINC000777333853 660820447 /nfs/dbraw/zinc/82/04/47/660820447.db2.gz JTNLFFGLGSALQT-UHFFFAOYSA-N -1 0 372.403 -0.083 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000777339854 660820244 /nfs/dbraw/zinc/82/02/44/660820244.db2.gz VCPPNPZURKPVRZ-UHFFFAOYSA-N -1 0 366.440 -0.670 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc(C(N)=O)cn2C)cc1 ZINC000777341587 660820337 /nfs/dbraw/zinc/82/03/37/660820337.db2.gz ABMORGBMLHXHCI-UHFFFAOYSA-N -1 0 364.383 -0.398 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(N)=O)c2)cc1 ZINC000777342532 660820352 /nfs/dbraw/zinc/82/03/52/660820352.db2.gz PBOVWQKGOLIZFB-UHFFFAOYSA-N -1 0 350.356 -0.408 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCCNC(=O)OC)cc1 ZINC000777342865 660820344 /nfs/dbraw/zinc/82/03/44/660820344.db2.gz WNUGIFMSGLFAPM-UHFFFAOYSA-N -1 0 357.388 -0.013 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)o2)cc1 ZINC000777344044 660820411 /nfs/dbraw/zinc/82/04/11/660820411.db2.gz IAFDPFSNFJPTQA-UHFFFAOYSA-N -1 0 351.340 -0.143 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)[N-]S(=O)(=O)CC1CCC1 ZINC000777344385 660820357 /nfs/dbraw/zinc/82/03/57/660820357.db2.gz MIGXFWUDKCKYJL-UHFFFAOYSA-N -1 0 363.436 -0.127 20 0 FBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000777344869 660820296 /nfs/dbraw/zinc/82/02/96/660820296.db2.gz NBVGYDYNWUQRQO-UHFFFAOYSA-N -1 0 357.388 -0.013 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)C2CC2)cc1 ZINC000777345968 660820439 /nfs/dbraw/zinc/82/04/39/660820439.db2.gz YTTUJIORGDHMJE-UHFFFAOYSA-N -1 0 353.400 -0.281 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cnc(OC)nc2)cc1 ZINC000777346261 660820363 /nfs/dbraw/zinc/82/03/63/660820363.db2.gz TUXLPIWDUVOREM-UHFFFAOYSA-N -1 0 350.356 -0.037 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000777346315 660820451 /nfs/dbraw/zinc/82/04/51/660820451.db2.gz VQSBSGZIPFUBPN-LLVKDONJSA-N -1 0 365.411 -0.138 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000777346316 660820408 /nfs/dbraw/zinc/82/04/08/660820408.db2.gz VQSBSGZIPFUBPN-NSHDSACASA-N -1 0 365.411 -0.138 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCN2CCCC2=O)cc1 ZINC000777346650 660820268 /nfs/dbraw/zinc/82/02/68/660820268.db2.gz IVULVENTHHFMDO-UHFFFAOYSA-N -1 0 353.400 -0.136 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C(=O)C2)cc1 ZINC000777347904 660820736 /nfs/dbraw/zinc/82/07/36/660820736.db2.gz QRXSYECFJAJDTR-LLVKDONJSA-N -1 0 353.400 -0.281 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C(=O)C2)cc1 ZINC000777347906 660820648 /nfs/dbraw/zinc/82/06/48/660820648.db2.gz QRXSYECFJAJDTR-NSHDSACASA-N -1 0 353.400 -0.281 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCN2C(=O)CCC2=O)cc1 ZINC000777349114 660820620 /nfs/dbraw/zinc/82/06/20/660820620.db2.gz YPHICNJTDFMWEW-UHFFFAOYSA-N -1 0 367.383 -0.610 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)NC)CCC2)cc1 ZINC000777351284 660820696 /nfs/dbraw/zinc/82/06/96/660820696.db2.gz MLYRERDZJNUHKW-UHFFFAOYSA-N -1 0 353.400 -0.233 20 0 FBADRM Cc1cccc(S(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)c1Cl ZINC000777353372 660820610 /nfs/dbraw/zinc/82/06/10/660820610.db2.gz VQTCNVLIHKOODO-UHFFFAOYSA-N -1 0 357.779 -0.156 20 0 FBADRM O=C([O-])c1cccc(CC(=O)NCCS(=O)(=O)N2CCOCC2)c1 ZINC000777359629 660820596 /nfs/dbraw/zinc/82/05/96/660820596.db2.gz AOCLOYVYCPNEII-UHFFFAOYSA-N -1 0 356.400 -0.295 20 0 FBADRM O=C([O-])c1ccccc1CC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000777359630 660820580 /nfs/dbraw/zinc/82/05/80/660820580.db2.gz AOIZGJOOLGDLDE-UHFFFAOYSA-N -1 0 356.400 -0.295 20 0 FBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000777362077 660820638 /nfs/dbraw/zinc/82/06/38/660820638.db2.gz CKNIRJXLNXIUDM-SECBINFHSA-N -1 0 351.425 -0.128 20 0 FBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000777362083 660820571 /nfs/dbraw/zinc/82/05/71/660820571.db2.gz CKNIRJXLNXIUDM-VIFPVBQESA-N -1 0 351.425 -0.128 20 0 FBADRM CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000777362283 660820674 /nfs/dbraw/zinc/82/06/74/660820674.db2.gz JITZHYHZSKZVIX-AWEZNQCLSA-N -1 0 363.436 -0.045 20 0 FBADRM CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000777362284 660820631 /nfs/dbraw/zinc/82/06/31/660820631.db2.gz JITZHYHZSKZVIX-CQSZACIVSA-N -1 0 363.436 -0.045 20 0 FBADRM CC(C)N(CCC(=O)[N-]S(=O)(=O)CC(N)=O)C(=O)OC(C)(C)C ZINC000777362297 660820635 /nfs/dbraw/zinc/82/06/35/660820635.db2.gz JUCOMMSCXUNLNF-UHFFFAOYSA-N -1 0 351.425 -0.047 20 0 FBADRM COc1nc(C)c(Br)cc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000777363237 660820816 /nfs/dbraw/zinc/82/08/16/660820816.db2.gz ZPXQXMPVXIAZFM-UHFFFAOYSA-N -1 0 366.193 -0.294 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)COC1CN(C(=O)OC(C)(C)C)C1 ZINC000777364221 660820678 /nfs/dbraw/zinc/82/06/78/660820678.db2.gz FTFMWIOLBYHNMZ-UHFFFAOYSA-N -1 0 374.419 -0.139 20 0 FBADRM NC(=O)CO[N-]C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000777823933 660822515 /nfs/dbraw/zinc/82/25/15/660822515.db2.gz SIQFNEWXRWNIER-UHFFFAOYSA-N -1 0 355.294 -0.483 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2cnn(CC3CC3)c2)C1 ZINC000777908460 660822684 /nfs/dbraw/zinc/82/26/84/660822684.db2.gz YCDLAFROUXJIQV-LLVKDONJSA-N -1 0 356.404 -0.496 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2cnn(CC3CC3)c2)C1 ZINC000777908469 660822732 /nfs/dbraw/zinc/82/27/32/660822732.db2.gz YCDLAFROUXJIQV-NSHDSACASA-N -1 0 356.404 -0.496 20 0 FBADRM NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777910025 660822736 /nfs/dbraw/zinc/82/27/36/660822736.db2.gz FHSUMKALTPWOES-CMPLNLGQSA-N -1 0 356.404 -0.368 20 0 FBADRM NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777910029 660822846 /nfs/dbraw/zinc/82/28/46/660822846.db2.gz FHSUMKALTPWOES-JQWIXIFHSA-N -1 0 356.404 -0.368 20 0 FBADRM NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777910031 660823053 /nfs/dbraw/zinc/82/30/53/660823053.db2.gz FHSUMKALTPWOES-PWSUYJOCSA-N -1 0 356.404 -0.368 20 0 FBADRM NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777910034 660823014 /nfs/dbraw/zinc/82/30/14/660823014.db2.gz FHSUMKALTPWOES-ZYHUDNBSSA-N -1 0 356.404 -0.368 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777912203 660823099 /nfs/dbraw/zinc/82/30/99/660823099.db2.gz OXDZZLZYRGWAIL-JTQLQIEISA-N -1 0 358.420 -0.107 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777912208 660822966 /nfs/dbraw/zinc/82/29/66/660822966.db2.gz OXDZZLZYRGWAIL-SNVBAGLBSA-N -1 0 358.420 -0.107 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777913976 660822946 /nfs/dbraw/zinc/82/29/46/660822946.db2.gz XSQDDXFCMTTWKG-LLVKDONJSA-N -1 0 363.417 -0.835 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777913980 660823027 /nfs/dbraw/zinc/82/30/27/660823027.db2.gz XSQDDXFCMTTWKG-NSHDSACASA-N -1 0 363.417 -0.835 20 0 FBADRM CS(=O)(=O)N1CC(CNS(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1 ZINC000777948578 660823037 /nfs/dbraw/zinc/82/30/37/660823037.db2.gz AOJMGKDYZURBDK-UHFFFAOYSA-N -1 0 366.392 -0.306 20 0 FBADRM CS(=O)(=O)N1CC(CNS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C1 ZINC000777950490 660823045 /nfs/dbraw/zinc/82/30/45/660823045.db2.gz LELIMOOTBSUDSU-UHFFFAOYSA-N -1 0 366.392 -0.306 20 0 FBADRM O=C1OCC[C@@]12CCCN2S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000778110367 660824173 /nfs/dbraw/zinc/82/41/73/660824173.db2.gz NUELRGFUGGBUNN-AWEZNQCLSA-N -1 0 366.355 -0.094 20 0 FBADRM O=C1OCC[C@]12CCCN2S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000778110368 660824135 /nfs/dbraw/zinc/82/41/35/660824135.db2.gz NUELRGFUGGBUNN-CQSZACIVSA-N -1 0 366.355 -0.094 20 0 FBADRM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000778311288 660826214 /nfs/dbraw/zinc/82/62/14/660826214.db2.gz AJZFITTWZDJOBR-HNNXBMFYSA-N -1 0 367.427 -0.347 20 0 FBADRM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000778311293 660826327 /nfs/dbraw/zinc/82/63/27/660826327.db2.gz AJZFITTWZDJOBR-OAHLLOKOSA-N -1 0 367.427 -0.347 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2CN1C(C)=O ZINC000778317910 660826296 /nfs/dbraw/zinc/82/62/96/660826296.db2.gz QGJVAFRKBZEXHR-HNNXBMFYSA-N -1 0 369.443 -0.101 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2CN1C(C)=O ZINC000778317914 660826342 /nfs/dbraw/zinc/82/63/42/660826342.db2.gz QGJVAFRKBZEXHR-OAHLLOKOSA-N -1 0 369.443 -0.101 20 0 FBADRM COC[C@@H](NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)C(=O)OC ZINC000778514665 660828237 /nfs/dbraw/zinc/82/82/37/660828237.db2.gz KMTFDFFWBZJTFC-LLVKDONJSA-N -1 0 351.384 -0.011 20 0 FBADRM COC[C@H](NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)C(=O)OC ZINC000778514667 660828154 /nfs/dbraw/zinc/82/81/54/660828154.db2.gz KMTFDFFWBZJTFC-NSHDSACASA-N -1 0 351.384 -0.011 20 0 FBADRM C[C@@H](NC(=O)CC(C)(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000778594747 660828563 /nfs/dbraw/zinc/82/85/63/660828563.db2.gz KATYZHHLBXXSEV-SECBINFHSA-N -1 0 372.447 -0.130 20 0 FBADRM C[C@H](NC(=O)CC(C)(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000778594769 660828406 /nfs/dbraw/zinc/82/84/06/660828406.db2.gz KATYZHHLBXXSEV-VIFPVBQESA-N -1 0 372.447 -0.130 20 0 FBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cn1 ZINC000778596610 660828478 /nfs/dbraw/zinc/82/84/78/660828478.db2.gz VUGQZVOZAIVMGE-UHFFFAOYSA-N -1 0 353.360 -0.569 20 0 FBADRM O=C(CN1CCOCC1)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000778596856 660828575 /nfs/dbraw/zinc/82/85/75/660828575.db2.gz YFFJVLRNXPIGRY-UHFFFAOYSA-N -1 0 356.400 -0.015 20 0 FBADRM O=C(CN1CCOCC1)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000778597293 660828602 /nfs/dbraw/zinc/82/86/02/660828602.db2.gz BMJHQJDSOPPHOS-UHFFFAOYSA-N -1 0 353.400 -0.292 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000778597332 660828618 /nfs/dbraw/zinc/82/86/18/660828618.db2.gz XZMMRUUBKHEMQU-UHFFFAOYSA-N -1 0 361.445 -0.931 20 0 FBADRM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)CN1CCOCC1 ZINC000778597787 660828431 /nfs/dbraw/zinc/82/84/31/660828431.db2.gz UCHRXHSKPHMGMU-UHFFFAOYSA-N -1 0 371.415 -0.209 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2)c1 ZINC000778610393 660828715 /nfs/dbraw/zinc/82/87/15/660828715.db2.gz QKFGFLZQHJUJRH-UHFFFAOYSA-N -1 0 366.403 -0.986 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2)c1 ZINC000778611051 660828719 /nfs/dbraw/zinc/82/87/19/660828719.db2.gz ZBIJATATHLAAOM-UHFFFAOYSA-N -1 0 362.429 -0.773 20 0 FBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)OC)CC2)cn1 ZINC000778616018 660828812 /nfs/dbraw/zinc/82/88/12/660828812.db2.gz OZUAZAXKBQOYCJ-UHFFFAOYSA-N -1 0 372.403 -0.265 20 0 FBADRM COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)CN2CCOCC2)cc1 ZINC000778616935 660828738 /nfs/dbraw/zinc/82/87/38/660828738.db2.gz CCFNOHKEMGGBAQ-UHFFFAOYSA-N -1 0 356.400 -0.249 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2)s1 ZINC000778619477 660828762 /nfs/dbraw/zinc/82/87/62/660828762.db2.gz FWOVMUKTQKEFJA-UHFFFAOYSA-N -1 0 361.445 -0.479 20 0 FBADRM O=C(CN1CCOCC1)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000778619839 660828743 /nfs/dbraw/zinc/82/87/43/660828743.db2.gz YXWKLAUNZXFFBW-UHFFFAOYSA-N -1 0 364.221 -0.019 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cnc(OCC)cn1 ZINC000778634396 660829143 /nfs/dbraw/zinc/82/91/43/660829143.db2.gz OHAZNAFQCDXFKF-LLVKDONJSA-N -1 0 372.403 -0.123 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cnc(OCC)cn1 ZINC000778634397 660829166 /nfs/dbraw/zinc/82/91/66/660829166.db2.gz OHAZNAFQCDXFKF-NSHDSACASA-N -1 0 372.403 -0.123 20 0 FBADRM CC(C)(C)CS(=O)(=O)[N-]C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000778638622 660829156 /nfs/dbraw/zinc/82/91/56/660829156.db2.gz DAIHVLNNXBTSCV-UHFFFAOYSA-N -1 0 355.482 -0.944 20 0 FBADRM CCC(CC)CS(=O)(=O)[N-]C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000778639981 660829152 /nfs/dbraw/zinc/82/91/52/660829152.db2.gz MNPYYNWLIHRQCO-UHFFFAOYSA-N -1 0 369.509 -0.554 20 0 FBADRM O=C(CN1CCOCC1)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000778640017 660829171 /nfs/dbraw/zinc/82/91/71/660829171.db2.gz NGEHCUOJKOSCBD-UHFFFAOYSA-N -1 0 364.221 -0.019 20 0 FBADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000778640605 660829165 /nfs/dbraw/zinc/82/91/65/660829165.db2.gz RIZZTRIKIXTBII-GFCCVEGCSA-N -1 0 369.509 -0.554 20 0 FBADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000778640606 660829149 /nfs/dbraw/zinc/82/91/49/660829149.db2.gz RIZZTRIKIXTBII-LBPRGKRZSA-N -1 0 369.509 -0.554 20 0 FBADRM CCC(CC)S(=O)(=O)[N-]C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000778642067 657258475 /nfs/dbraw/zinc/25/84/75/657258475.db2.gz WJZIMTNJFBJXQL-UHFFFAOYSA-N -1 0 355.482 -0.802 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1-n1cccn1 ZINC000778643553 660829155 /nfs/dbraw/zinc/82/91/55/660829155.db2.gz GRJVHFNLWKFMOO-UHFFFAOYSA-N -1 0 369.403 -0.073 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000778644165 660829148 /nfs/dbraw/zinc/82/91/48/660829148.db2.gz RFKBQKCLJUBPFF-UHFFFAOYSA-N -1 0 354.344 -0.257 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2)cc1 ZINC000778645140 660829395 /nfs/dbraw/zinc/82/93/95/660829395.db2.gz GWNYGCFUBLXSKM-UHFFFAOYSA-N -1 0 362.429 -0.773 20 0 FBADRM O=C(CN1CCOCC1)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000778645555 660829427 /nfs/dbraw/zinc/82/94/27/660829427.db2.gz IZVRROXPCMTWJY-UHFFFAOYSA-N -1 0 353.400 -0.890 20 0 FBADRM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2)c1 ZINC000778647666 660829296 /nfs/dbraw/zinc/82/92/96/660829296.db2.gz WQDBXMVNFDPSAJ-UHFFFAOYSA-N -1 0 355.416 -0.475 20 0 FBADRM CCC(CC)[C@@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)N1CCOCC1 ZINC000778653827 660829412 /nfs/dbraw/zinc/82/94/12/660829412.db2.gz BNRHHHVHKFPAMB-AWEZNQCLSA-N -1 0 363.480 -0.183 20 0 FBADRM CCC(CC)[C@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)N1CCOCC1 ZINC000778653829 660829437 /nfs/dbraw/zinc/82/94/37/660829437.db2.gz BNRHHHVHKFPAMB-CQSZACIVSA-N -1 0 363.480 -0.183 20 0 FBADRM CCn1cc(-c2nn(C)cc2C(=O)[N-]S(=O)(=O)N2CCOCC2)cn1 ZINC000778654520 660829373 /nfs/dbraw/zinc/82/93/73/660829373.db2.gz OBCLFPJQVCOMPE-UHFFFAOYSA-N -1 0 368.419 -0.390 20 0 FBADRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000778654703 660829464 /nfs/dbraw/zinc/82/94/64/660829464.db2.gz QTTDESDENRVPBT-HZSPNIEDSA-N -1 0 363.480 -0.187 20 0 FBADRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000778654704 660829453 /nfs/dbraw/zinc/82/94/53/660829453.db2.gz QTTDESDENRVPBT-MCIONIFRSA-N -1 0 363.480 -0.187 20 0 FBADRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000778654705 660829367 /nfs/dbraw/zinc/82/93/67/660829367.db2.gz QTTDESDENRVPBT-MGPQQGTHSA-N -1 0 363.480 -0.187 20 0 FBADRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000778654706 660829321 /nfs/dbraw/zinc/82/93/21/660829321.db2.gz QTTDESDENRVPBT-MJBXVCDLSA-N -1 0 363.480 -0.187 20 0 FBADRM Cc1cnn(-c2c(C(=O)[N-]S(=O)(=O)N3CCOCC3)c(C)nn2C)c1 ZINC000778655673 660829477 /nfs/dbraw/zinc/82/94/77/660829477.db2.gz XUDJKOUUXASLBY-UHFFFAOYSA-N -1 0 368.419 -0.471 20 0 FBADRM Cc1nn(C)c(-n2cccn2)c1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000778655752 660829447 /nfs/dbraw/zinc/82/94/47/660829447.db2.gz ZAJQIYVIOCORGR-UHFFFAOYSA-N -1 0 354.392 -0.779 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1-n1cc(C)cn1 ZINC000778670351 660829407 /nfs/dbraw/zinc/82/94/07/660829407.db2.gz GZRWYSFDDMEJLP-UHFFFAOYSA-N -1 0 370.435 -0.225 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1-n1cccn1 ZINC000778671838 660829402 /nfs/dbraw/zinc/82/94/02/660829402.db2.gz QJLYXCXGCDKQMA-UHFFFAOYSA-N -1 0 356.408 -0.533 20 0 FBADRM CCn1cc(-c2nn(C)cc2C(=O)[N-]S(=O)(=O)N(C)CCOC)cn1 ZINC000778672089 660829417 /nfs/dbraw/zinc/82/94/17/660829417.db2.gz TZBWMQMZHUDLKA-UHFFFAOYSA-N -1 0 370.435 -0.144 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)[N-]S(=O)(=O)c2ccsc2)CC1 ZINC000778682069 660829641 /nfs/dbraw/zinc/82/96/41/660829641.db2.gz OSHAQRNFOXSNLA-UHFFFAOYSA-N -1 0 367.474 -0.870 20 0 FBADRM O=C(CN1CCOCC1)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000778684934 660829721 /nfs/dbraw/zinc/82/97/21/660829721.db2.gz AMYISKJJMUQEHB-UHFFFAOYSA-N -1 0 370.427 -0.102 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1-n1cccn1 ZINC000778686805 660829688 /nfs/dbraw/zinc/82/96/88/660829688.db2.gz HAWAZGNPZVILMD-UHFFFAOYSA-N -1 0 371.419 -0.363 20 0 FBADRM Cc1ccnc(-n2cc(S(=O)(=O)[N-]C(=O)CN3CCOCC3)cn2)c1 ZINC000778689086 660829575 /nfs/dbraw/zinc/82/95/75/660829575.db2.gz JUEVLVWRQMUAJA-UHFFFAOYSA-N -1 0 365.415 -0.287 20 0 FBADRM O=C(CN1CCOCC1)[N-]S(=O)(=O)c1cccc(-c2nnco2)c1 ZINC000778692718 660829565 /nfs/dbraw/zinc/82/95/65/660829565.db2.gz DVIOOZNAMYSTCC-UHFFFAOYSA-N -1 0 352.372 -0.126 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2)nc1 ZINC000778693346 660829553 /nfs/dbraw/zinc/82/95/53/660829553.db2.gz VPYOKMGXKNFJIO-UHFFFAOYSA-N -1 0 357.388 -0.605 20 0 FBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cn1 ZINC000778693601 660829604 /nfs/dbraw/zinc/82/96/04/660829604.db2.gz YAESJSCONLFWNK-UHFFFAOYSA-N -1 0 372.388 -0.196 20 0 FBADRM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2)cc1 ZINC000778709867 660829784 /nfs/dbraw/zinc/82/97/84/660829784.db2.gz JSPBPCVHZINDJW-UHFFFAOYSA-N -1 0 355.416 -0.475 20 0 FBADRM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000778725916 660829858 /nfs/dbraw/zinc/82/98/58/660829858.db2.gz WQTFVCNJAVYEKH-NXEZZACHSA-N -1 0 363.436 -0.047 20 0 FBADRM C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000778725918 660829951 /nfs/dbraw/zinc/82/99/51/660829951.db2.gz WQTFVCNJAVYEKH-UWVGGRQHSA-N -1 0 363.436 -0.047 20 0 FBADRM C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000778725921 660829822 /nfs/dbraw/zinc/82/98/22/660829822.db2.gz WQTFVCNJAVYEKH-VHSXEESVSA-N -1 0 363.436 -0.047 20 0 FBADRM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000778725923 660829919 /nfs/dbraw/zinc/82/99/19/660829919.db2.gz WQTFVCNJAVYEKH-ZJUUUORDSA-N -1 0 363.436 -0.047 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)CN3CCOCC3)cc2n(C)c1=O ZINC000778733784 660829929 /nfs/dbraw/zinc/82/99/29/660829929.db2.gz HIIXCGDUVJIHGQ-UHFFFAOYSA-N -1 0 368.415 -0.986 20 0 FBADRM COc1cc(OC)c(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C2=O)c(OC)c1 ZINC000778761064 660830140 /nfs/dbraw/zinc/83/01/40/660830140.db2.gz GXOUNNPMBHURHF-JTQLQIEISA-N -1 0 372.399 -0.004 20 0 FBADRM COc1cc(OC)c(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C2=O)c(OC)c1 ZINC000778761065 660830213 /nfs/dbraw/zinc/83/02/13/660830213.db2.gz GXOUNNPMBHURHF-SNVBAGLBSA-N -1 0 372.399 -0.004 20 0 FBADRM COc1cc(OC)c(S(=O)(=O)[N-]C(=O)[C@H]2COCCO2)c(OC)c1 ZINC000778761822 660830158 /nfs/dbraw/zinc/83/01/58/660830158.db2.gz AINPLXDAGKCSQG-GFCCVEGCSA-N -1 0 361.372 -0.067 20 0 FBADRM COc1cc(OC)c(S(=O)(=O)[N-]C(=O)[C@@H]2COCCO2)c(OC)c1 ZINC000778761825 660830149 /nfs/dbraw/zinc/83/01/49/660830149.db2.gz AINPLXDAGKCSQG-LBPRGKRZSA-N -1 0 361.372 -0.067 20 0 FBADRM COc1cc(OC)c(S(=O)(=O)[N-]C(=O)CN2CCOCC2)c(OC)c1 ZINC000778763339 660830178 /nfs/dbraw/zinc/83/01/78/660830178.db2.gz JPYWLAAVZAJGEK-UHFFFAOYSA-N -1 0 374.415 -0.151 20 0 FBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1c(OC)cc(OC)cc1OC ZINC000778768194 660830183 /nfs/dbraw/zinc/83/01/83/660830183.db2.gz BOWGHGZQXADTKF-UHFFFAOYSA-N -1 0 362.360 -0.127 20 0 FBADRM COc1cc(OC)c(S(=O)(=O)[N-]C(=O)CN(C)C(C)=O)c(OC)c1 ZINC000778771332 660830136 /nfs/dbraw/zinc/83/01/36/660830136.db2.gz LARAPZIRYXLAEC-UHFFFAOYSA-N -1 0 360.388 -0.004 20 0 FBADRM Cc1cccc(CS(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)c1 ZINC000778813756 660830450 /nfs/dbraw/zinc/83/04/50/660830450.db2.gz DSLSDLVMHWRSIH-UHFFFAOYSA-N -1 0 351.384 -0.498 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)Cc2cccc(C)c2)C(=O)C1=O ZINC000778822323 660830645 /nfs/dbraw/zinc/83/06/45/660830645.db2.gz BRZFHNPXRMBLLS-UHFFFAOYSA-N -1 0 367.427 -0.368 20 0 FBADRM Cc1cccc(CS(=O)(=O)[N-]C(=O)c2cn(CC(=O)N(C)C)nn2)c1 ZINC000778824487 660830597 /nfs/dbraw/zinc/83/05/97/660830597.db2.gz FRAIAJDERVSWIL-UHFFFAOYSA-N -1 0 365.415 -0.065 20 0 FBADRM Cc1cccc(CS(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000778825787 660830571 /nfs/dbraw/zinc/83/05/71/660830571.db2.gz XALRCDGTZJEUPL-UHFFFAOYSA-N -1 0 351.384 -0.348 20 0 FBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2OC)CC1=O ZINC000778835301 660830577 /nfs/dbraw/zinc/83/05/77/660830577.db2.gz ILZZIQVACQPRHH-JTQLQIEISA-N -1 0 374.419 -0.963 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2OC)CC1=O ZINC000778835302 660830619 /nfs/dbraw/zinc/83/06/19/660830619.db2.gz ILZZIQVACQPRHH-SNVBAGLBSA-N -1 0 374.419 -0.963 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)COc2c(C)nn(C)c2C)c(C)nn1C ZINC000778837537 660830708 /nfs/dbraw/zinc/83/07/08/660830708.db2.gz RPIJWYYMRDVVDU-UHFFFAOYSA-N -1 0 371.419 -0.029 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)CN(C)[C@H]2CCSC2)c(C)nn1C ZINC000778843330 660830913 /nfs/dbraw/zinc/83/09/13/660830913.db2.gz HIIOOKJYYMPOAT-JTQLQIEISA-N -1 0 362.477 -0.021 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)CN(C)[C@@H]2CCSC2)c(C)nn1C ZINC000778843347 660830919 /nfs/dbraw/zinc/83/09/19/660830919.db2.gz HIIOOKJYYMPOAT-SNVBAGLBSA-N -1 0 362.477 -0.021 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)c2cccn3c(=O)[nH]nc23)c(C)nn1C ZINC000778847566 660830880 /nfs/dbraw/zinc/83/08/80/660830880.db2.gz IFQJGZKVGMOTHE-UHFFFAOYSA-N -1 0 366.359 -0.396 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CC3)C2)c(C)nn1C ZINC000778848120 660830890 /nfs/dbraw/zinc/83/08/90/660830890.db2.gz QXGOQWPQMRYZHU-SECBINFHSA-N -1 0 356.404 -0.447 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CC3)C2)c(C)nn1C ZINC000778848121 660830953 /nfs/dbraw/zinc/83/09/53/660830953.db2.gz QXGOQWPQMRYZHU-VIFPVBQESA-N -1 0 356.404 -0.447 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)c2ccc3nncn3c2)c(C)nn1C ZINC000778850469 660830935 /nfs/dbraw/zinc/83/09/35/660830935.db2.gz UXYUEUDOEWXFOQ-UHFFFAOYSA-N -1 0 350.360 -0.101 20 0 FBADRM COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1OC)C(C)C ZINC000778850598 660831152 /nfs/dbraw/zinc/83/11/52/660831152.db2.gz AZAJYBFEULJXOD-VIFPVBQESA-N -1 0 362.408 -0.077 20 0 FBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2OC)on1 ZINC000778850760 660831050 /nfs/dbraw/zinc/83/10/50/660831050.db2.gz QTIYSOSVMLFEQG-UHFFFAOYSA-N -1 0 358.332 -0.370 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)c2cccc(C(N)=O)c2)c(C)nn1C ZINC000778851396 660831093 /nfs/dbraw/zinc/83/10/93/660831093.db2.gz GBYZKDUBNCGCQI-UHFFFAOYSA-N -1 0 352.372 -0.045 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)c2ccc3n[nH]c(=O)n3c2)c(C)nn1C ZINC000778851904 660831200 /nfs/dbraw/zinc/83/12/00/660831200.db2.gz YXJPHWPAUAUFOH-UHFFFAOYSA-N -1 0 366.359 -0.396 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)c2cc(C(N)=O)cn2C)c(C)nn1C ZINC000778852735 660831107 /nfs/dbraw/zinc/83/11/07/660831107.db2.gz PDRRJVNDRHPULX-UHFFFAOYSA-N -1 0 355.376 -0.707 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)cc2)c(C)nn1C ZINC000778858078 660831191 /nfs/dbraw/zinc/83/11/91/660831191.db2.gz GECBSKKSBFCVNE-UHFFFAOYSA-N -1 0 352.372 -0.045 20 0 FBADRM COc1c(C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2OC)c(C)nn1C ZINC000778858522 660831156 /nfs/dbraw/zinc/83/11/56/660831156.db2.gz DITMGFFEHLZSTG-UHFFFAOYSA-N -1 0 357.392 -0.094 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)CNC(=O)c2ccccc2)c(C)nn1C ZINC000778858761 660831068 /nfs/dbraw/zinc/83/10/68/660831068.db2.gz IXIGTRRISWRELK-UHFFFAOYSA-N -1 0 366.399 -0.028 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)c2cnn3cccnc23)c(C)nn1C ZINC000778858812 660831195 /nfs/dbraw/zinc/83/11/95/660831195.db2.gz JJBOJWHXIIUIOR-UHFFFAOYSA-N -1 0 350.360 -0.101 20 0 FBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2OC)cn1 ZINC000778859554 660831048 /nfs/dbraw/zinc/83/10/48/660831048.db2.gz MTQBMYXOSZICCA-UHFFFAOYSA-N -1 0 367.387 -0.390 20 0 FBADRM COC(=O)CSCCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1OC ZINC000778860339 660831183 /nfs/dbraw/zinc/83/11/83/660831183.db2.gz SDAMQIHJKHPUOH-UHFFFAOYSA-N -1 0 365.433 -0.162 20 0 FBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)CCc2ccc3c(c2)CCO3)c1=O ZINC000778871566 660831084 /nfs/dbraw/zinc/83/10/84/660831084.db2.gz LCJXSBQZNUKPGY-UHFFFAOYSA-N -1 0 366.399 -0.795 20 0 FBADRM O=C(CN1CCOCC1)[N-]S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000778874896 660831424 /nfs/dbraw/zinc/83/14/24/660831424.db2.gz VYTSSGJUBPLJPU-UHFFFAOYSA-N -1 0 354.428 -0.058 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000778875156 660831475 /nfs/dbraw/zinc/83/14/75/660831475.db2.gz ZWRCJXGELBKCCR-UHFFFAOYSA-N -1 0 370.427 -0.285 20 0 FBADRM COc1ccc(CCS(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)cc1 ZINC000778887738 660831399 /nfs/dbraw/zinc/83/13/99/660831399.db2.gz KCVJVZQTVSOGOJ-UHFFFAOYSA-N -1 0 367.387 -0.926 20 0 FBADRM COc1ccc(CCS(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)cc1 ZINC000778888821 660831416 /nfs/dbraw/zinc/83/14/16/660831416.db2.gz WWVLHULTPOKKTI-UHFFFAOYSA-N -1 0 354.388 -0.721 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)CCc1ccc(OC)cc1 ZINC000778889346 660831397 /nfs/dbraw/zinc/83/13/97/660831397.db2.gz GQXUZOGSTHAATI-UHFFFAOYSA-N -1 0 358.416 -0.212 20 0 FBADRM COc1ccc(CCS(=O)(=O)[N-]C(=O)c2cn(C)c(=O)[nH]c2=O)cc1 ZINC000778890131 660831507 /nfs/dbraw/zinc/83/15/07/660831507.db2.gz WWYIIFBSYMXYRJ-UHFFFAOYSA-N -1 0 367.383 -0.203 20 0 FBADRM COc1ccc(CCS(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O)cc1 ZINC000778895088 660831686 /nfs/dbraw/zinc/83/16/86/660831686.db2.gz QBSGCPCGJKFSCH-UHFFFAOYSA-N -1 0 364.445 -0.425 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000778908249 660831706 /nfs/dbraw/zinc/83/17/06/660831706.db2.gz DBLNVAUHZBCYBV-UHFFFAOYSA-N -1 0 354.335 -0.942 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn(CC(F)F)c1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000778909284 660831684 /nfs/dbraw/zinc/83/16/84/660831684.db2.gz DOISTADLFGWAOI-MRVPVSSYSA-N -1 0 362.358 -0.036 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn(CC(F)F)c1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000778909293 660831571 /nfs/dbraw/zinc/83/15/71/660831571.db2.gz DOISTADLFGWAOI-QMMMGPOBSA-N -1 0 362.358 -0.036 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1)C(=O)C1CC1 ZINC000778909985 660831739 /nfs/dbraw/zinc/83/17/39/660831739.db2.gz FSZJRZPTLCLHGS-UHFFFAOYSA-N -1 0 350.347 -0.179 20 0 FBADRM O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000778910900 660831713 /nfs/dbraw/zinc/83/17/13/660831713.db2.gz NPEPDIKEIZFGOL-UHFFFAOYSA-N -1 0 364.330 -0.508 20 0 FBADRM O=C(CCN1CCCC1=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000778912185 660831582 /nfs/dbraw/zinc/83/15/82/660831582.db2.gz RZIILMJDXCNNLT-UHFFFAOYSA-N -1 0 350.347 -0.034 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)c(=O)[nH]c1=O ZINC000778912854 660831674 /nfs/dbraw/zinc/83/16/74/660831674.db2.gz OMHOITRDBLQHLX-UHFFFAOYSA-N -1 0 363.302 -0.934 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)CC1=O ZINC000778913531 660831665 /nfs/dbraw/zinc/83/16/65/660831665.db2.gz RASJTWMHGRDLFW-MRVPVSSYSA-N -1 0 350.347 -0.179 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)CC1=O ZINC000778913532 660831617 /nfs/dbraw/zinc/83/16/17/660831617.db2.gz RASJTWMHGRDLFW-QMMMGPOBSA-N -1 0 350.347 -0.179 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000778916118 660831996 /nfs/dbraw/zinc/83/19/96/660831996.db2.gz FHCPJBJYJVEJEC-JTQLQIEISA-N -1 0 352.363 -0.326 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000778916128 660831947 /nfs/dbraw/zinc/83/19/47/660831947.db2.gz FHCPJBJYJVEJEC-SNVBAGLBSA-N -1 0 352.363 -0.326 20 0 FBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)CCC1 ZINC000778918463 660831918 /nfs/dbraw/zinc/83/19/18/660831918.db2.gz QKBTXAOPKKJLOE-UHFFFAOYSA-N -1 0 350.347 -0.131 20 0 FBADRM Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000778919617 660831862 /nfs/dbraw/zinc/83/18/62/660831862.db2.gz KUNZTWRHAFUJDW-UHFFFAOYSA-N -1 0 361.330 -0.296 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cccnc2)n(C)c1 ZINC000779188900 660833367 /nfs/dbraw/zinc/83/33/67/660833367.db2.gz BVQKHKUQGDYZMA-UHFFFAOYSA-N -1 0 372.428 -0.211 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)N2CCCC2)n(C)c1 ZINC000779193949 660833383 /nfs/dbraw/zinc/83/33/83/660833383.db2.gz KEGTZEIUVDLYAU-UHFFFAOYSA-N -1 0 364.449 -0.654 20 0 FBADRM CC(C)CS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000779202438 660833270 /nfs/dbraw/zinc/83/32/70/660833270.db2.gz KTDFYTZFYXOSRD-UHFFFAOYSA-N -1 0 351.450 -0.009 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000779206218 660833222 /nfs/dbraw/zinc/83/32/22/660833222.db2.gz GUCRXEKAGDSREU-UHFFFAOYSA-N -1 0 366.465 -0.410 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000779209329 660833391 /nfs/dbraw/zinc/83/33/91/660833391.db2.gz VLWXHEXWEXZMJN-UHFFFAOYSA-N -1 0 367.449 -0.629 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000779210112 660833277 /nfs/dbraw/zinc/83/32/77/660833277.db2.gz PXSFZLJUULXBFI-SECBINFHSA-N -1 0 367.449 -0.630 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000779210114 660833363 /nfs/dbraw/zinc/83/33/63/660833363.db2.gz PXSFZLJUULXBFI-VIFPVBQESA-N -1 0 367.449 -0.630 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)c2ccccn2)n(C)c1 ZINC000779212476 660833350 /nfs/dbraw/zinc/83/33/50/660833350.db2.gz VAYGWCDZKNWVGM-UHFFFAOYSA-N -1 0 372.428 -0.211 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000779214298 660833309 /nfs/dbraw/zinc/83/33/09/660833309.db2.gz CWUUFXOEBUZARG-UHFFFAOYSA-N -1 0 352.438 -0.798 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)CCCF)n(C)c1 ZINC000779214574 660833249 /nfs/dbraw/zinc/83/32/49/660833249.db2.gz BSYDTXNPPSZTNO-UHFFFAOYSA-N -1 0 355.413 -0.305 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000779223059 660833375 /nfs/dbraw/zinc/83/33/75/660833375.db2.gz ZVCBZRPVPULJFS-UHFFFAOYSA-N -1 0 366.465 -0.408 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cnccn2)n(C)c1 ZINC000779225903 660833274 /nfs/dbraw/zinc/83/32/74/660833274.db2.gz PZEQOBYGGJXSCF-UHFFFAOYSA-N -1 0 373.416 -0.816 20 0 FBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000779278944 660833507 /nfs/dbraw/zinc/83/35/07/660833507.db2.gz XREXHJVDVLIOGK-UHFFFAOYSA-N -1 0 369.804 -0.039 20 0 FBADRM COCc1ccccc1S(=O)(=O)[N-]C(=O)CN1CCCS1(=O)=O ZINC000779294668 660833529 /nfs/dbraw/zinc/83/35/29/660833529.db2.gz AXBZEBVHDPNABA-UHFFFAOYSA-N -1 0 362.429 -0.327 20 0 FBADRM COCc1ccccc1S(=O)(=O)[N-]C(=O)Cn1ccc(=O)n(C)c1=O ZINC000779295151 660833541 /nfs/dbraw/zinc/83/35/41/660833541.db2.gz DIMANEKMRDLPDW-UHFFFAOYSA-N -1 0 367.383 -0.802 20 0 FBADRM COCc1ccccc1S(=O)(=O)[N-]C(=O)CCCN1C(=O)CNC1=O ZINC000779301103 660833487 /nfs/dbraw/zinc/83/34/87/660833487.db2.gz SGOOQWGEVPEABA-UHFFFAOYSA-N -1 0 369.399 -0.030 20 0 FBADRM COCc1ccccc1S(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O ZINC000779302853 660833618 /nfs/dbraw/zinc/83/36/18/660833618.db2.gz RBLOTFRTSYLLSM-UHFFFAOYSA-N -1 0 350.418 -0.471 20 0 FBADRM COCc1ccccc1S(=O)(=O)[N-]C(=O)c1cn(CC(N)=O)nn1 ZINC000779308603 660834027 /nfs/dbraw/zinc/83/40/27/660834027.db2.gz YDRRSUTUSZDZEH-UHFFFAOYSA-N -1 0 353.360 -0.972 20 0 FBADRM COCc1ccccc1S(=O)(=O)[N-]C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000779310608 660834036 /nfs/dbraw/zinc/83/40/36/660834036.db2.gz OJZOUWALJFZNAD-UHFFFAOYSA-N -1 0 353.356 -0.249 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)NCC(=O)[N-]OCCC(F)(F)F)c[nH]1 ZINC000779326821 660833839 /nfs/dbraw/zinc/83/38/39/660833839.db2.gz VXRGMVPNDHCXRQ-UHFFFAOYSA-N -1 0 358.298 -0.608 20 0 FBADRM CS(=O)(=O)N1CC(CNC(=O)CSc2n[n-]c(=S)s2)C1 ZINC000779330711 660833843 /nfs/dbraw/zinc/83/38/43/660833843.db2.gz AZWVBOJVZLTUNR-UHFFFAOYSA-N -1 0 354.504 -0.074 20 0 FBADRM Cc1nc(CNC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)sc1C(=O)[O-] ZINC000779440580 660834409 /nfs/dbraw/zinc/83/44/09/660834409.db2.gz BYPSYWCOHNJPFO-PLNGDYQASA-N -1 0 364.383 -0.123 20 0 FBADRM Cc1nc(CNC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)sc1C(=O)[O-] ZINC000779440581 660834547 /nfs/dbraw/zinc/83/45/47/660834547.db2.gz BYPSYWCOHNJPFO-SNAWJCMRSA-N -1 0 364.383 -0.123 20 0 FBADRM O=C([N-]N1CCCNC1=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000779446841 660834502 /nfs/dbraw/zinc/83/45/02/660834502.db2.gz VKBVKPJQVNOELC-UHFFFAOYSA-N -1 0 368.415 -0.232 20 0 FBADRM CN(CC(=O)OCCOCC[N-]C(=O)C(F)(F)F)S(C)(=O)=O ZINC000779455931 660834485 /nfs/dbraw/zinc/83/44/85/660834485.db2.gz ARPYUTVBEBLXNV-UHFFFAOYSA-N -1 0 350.315 -0.884 20 0 FBADRM Cn1cc(C(N)=O)cc1C(=O)OCCOCC[N-]C(=O)C(F)(F)F ZINC000779456239 660834395 /nfs/dbraw/zinc/83/43/95/660834395.db2.gz GEYPCFOEJHKEHA-UHFFFAOYSA-N -1 0 351.281 -0.024 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N=c1nn[n-]n1C ZINC000779466622 660834682 /nfs/dbraw/zinc/83/46/82/660834682.db2.gz GPXCBDUBGLZJEU-UHFFFAOYSA-N -1 0 353.408 -0.603 20 0 FBADRM CN(C)CCS(=O)(=O)c1ccccc1C(=O)[N-]N1CC(=O)N(C)C1=O ZINC000779546978 660835465 /nfs/dbraw/zinc/83/54/65/660835465.db2.gz HLYRQEWTGPAEQG-UHFFFAOYSA-N -1 0 368.415 -0.439 20 0 FBADRM COCCn1[n-]c(C)c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1=O ZINC000779706020 660836804 /nfs/dbraw/zinc/83/68/04/660836804.db2.gz KAZIGRULXDCSHX-GFCCVEGCSA-N -1 0 354.388 -0.247 20 0 FBADRM COCCn1[n-]c(C)c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1=O ZINC000779706023 660836859 /nfs/dbraw/zinc/83/68/59/660836859.db2.gz KAZIGRULXDCSHX-LBPRGKRZSA-N -1 0 354.388 -0.247 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])CC1 ZINC000780286143 660840320 /nfs/dbraw/zinc/84/03/20/660840320.db2.gz JPYVVIJPVXWFIX-CYBMUJFWSA-N -1 0 367.424 -0.932 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])CC1 ZINC000780286153 660840237 /nfs/dbraw/zinc/84/02/37/660840237.db2.gz JPYVVIJPVXWFIX-ZDUSSCGKSA-N -1 0 367.424 -0.932 20 0 FBADRM CN1C(=O)Cc2cc(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])ccc21 ZINC000780287188 660840170 /nfs/dbraw/zinc/84/01/70/660840170.db2.gz MTRCVZXOJSJMSA-HNNXBMFYSA-N -1 0 356.400 -0.043 20 0 FBADRM CN1C(=O)Cc2cc(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])ccc21 ZINC000780287208 660840287 /nfs/dbraw/zinc/84/02/87/660840287.db2.gz MTRCVZXOJSJMSA-OAHLLOKOSA-N -1 0 356.400 -0.043 20 0 FBADRM CCO[C@@H]1C[C@@](NS(=O)(=O)CCS(C)(=O)=O)(C(=O)[O-])C1(C)C ZINC000780288727 660840274 /nfs/dbraw/zinc/84/02/74/660840274.db2.gz QXSCWJJHGRXQMF-BXKDBHETSA-N -1 0 357.450 -0.391 20 0 FBADRM CCO[C@H]1C[C@](NS(=O)(=O)CCS(C)(=O)=O)(C(=O)[O-])C1(C)C ZINC000780288738 660840123 /nfs/dbraw/zinc/84/01/23/660840123.db2.gz QXSCWJJHGRXQMF-CABZTGNLSA-N -1 0 357.450 -0.391 20 0 FBADRM CCO[C@H]1C[C@@](NS(=O)(=O)CCS(C)(=O)=O)(C(=O)[O-])C1(C)C ZINC000780288742 660840148 /nfs/dbraw/zinc/84/01/48/660840148.db2.gz QXSCWJJHGRXQMF-JOYOIKCWSA-N -1 0 357.450 -0.391 20 0 FBADRM CCO[C@@H]1C[C@](NS(=O)(=O)CCS(C)(=O)=O)(C(=O)[O-])C1(C)C ZINC000780288747 660840205 /nfs/dbraw/zinc/84/02/05/660840205.db2.gz QXSCWJJHGRXQMF-SKDRFNHKSA-N -1 0 357.450 -0.391 20 0 FBADRM C[C@](CO)(CNS(=O)(=O)N1CCC2(CC1)OCCO2)CC(=O)[O-] ZINC000780289647 660840177 /nfs/dbraw/zinc/84/01/77/660840177.db2.gz UWMLCJRDQIASHL-GFCCVEGCSA-N -1 0 352.409 -0.867 20 0 FBADRM C[C@@](CO)(CNS(=O)(=O)N1CCC2(CC1)OCCO2)CC(=O)[O-] ZINC000780289664 660840143 /nfs/dbraw/zinc/84/01/43/660840143.db2.gz UWMLCJRDQIASHL-LBPRGKRZSA-N -1 0 352.409 -0.867 20 0 FBADRM COC(=O)c1cnc(C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2C)cn1 ZINC000780293415 660840094 /nfs/dbraw/zinc/84/00/94/660840094.db2.gz IJCXZHRNXXNAQB-UHFFFAOYSA-N -1 0 353.360 -0.268 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1 ZINC000780310943 660840576 /nfs/dbraw/zinc/84/05/76/660840576.db2.gz AEMBAEZFPHCGBS-JTQLQIEISA-N -1 0 371.419 -0.579 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1 ZINC000780310951 660840446 /nfs/dbraw/zinc/84/04/46/660840446.db2.gz AEMBAEZFPHCGBS-SNVBAGLBSA-N -1 0 371.419 -0.579 20 0 FBADRM O=C([O-])c1cn(C2CN(C(=O)CNS(=O)(=O)c3cccs3)C2)nn1 ZINC000780312326 660840464 /nfs/dbraw/zinc/84/04/64/660840464.db2.gz NLXOVFAKABXSSJ-UHFFFAOYSA-N -1 0 371.400 -0.600 20 0 FBADRM O=C([O-])c1cn(C2CN(C(=O)CNC(=O)NC3CCCCC3)C2)nn1 ZINC000780312370 660840476 /nfs/dbraw/zinc/84/04/76/660840476.db2.gz OGWNTBBCKSPUKE-UHFFFAOYSA-N -1 0 350.379 -0.009 20 0 FBADRM Cc1ccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cc1S(N)(=O)=O ZINC000780315037 660840497 /nfs/dbraw/zinc/84/04/97/660840497.db2.gz MGLPGTSHEAJUTN-UHFFFAOYSA-N -1 0 365.371 -0.371 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)o1 ZINC000780315452 660840530 /nfs/dbraw/zinc/84/05/30/660840530.db2.gz SSIQBDXKYDCINP-UHFFFAOYSA-N -1 0 355.332 -0.826 20 0 FBADRM CC(C)[C@H](C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)N1CCCS1(=O)=O ZINC000780315632 605534298 /nfs/dbraw/zinc/53/42/98/605534298.db2.gz XGNDSZZOGFQPDQ-GFCCVEGCSA-N -1 0 371.419 -0.580 20 0 FBADRM CC(C)[C@@H](C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)N1CCCS1(=O)=O ZINC000780315633 605533658 /nfs/dbraw/zinc/53/36/58/605533658.db2.gz XGNDSZZOGFQPDQ-LBPRGKRZSA-N -1 0 371.419 -0.580 20 0 FBADRM CNS(=O)(=O)c1cccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1 ZINC000780316867 660840440 /nfs/dbraw/zinc/84/04/40/660840440.db2.gz IQYRJKIUIBWMDF-UHFFFAOYSA-N -1 0 365.371 -0.419 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cc1 ZINC000780317773 660840505 /nfs/dbraw/zinc/84/05/05/660840505.db2.gz UMWHULWVXOHMHO-UHFFFAOYSA-N -1 0 365.371 -0.750 20 0 FBADRM Cc1cc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)ccc1S(N)(=O)=O ZINC000780318170 660840551 /nfs/dbraw/zinc/84/05/51/660840551.db2.gz JLYWVCLAOJDXOK-UHFFFAOYSA-N -1 0 365.371 -0.371 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cc1 ZINC000780318439 660840490 /nfs/dbraw/zinc/84/04/90/660840490.db2.gz XYJRJOPQHHSFAX-UHFFFAOYSA-N -1 0 365.371 -0.419 20 0 FBADRM COC(=O)c1cnc(C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)cn1 ZINC000780333406 660840556 /nfs/dbraw/zinc/84/05/56/660840556.db2.gz IORZDTRBBSCVCZ-UHFFFAOYSA-N -1 0 359.751 -0.231 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000780350527 660840484 /nfs/dbraw/zinc/84/04/84/660840484.db2.gz CLUJDIWFCLAKNA-UHFFFAOYSA-N -1 0 351.406 -0.362 20 0 FBADRM O=C([O-])CNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000780350889 660840562 /nfs/dbraw/zinc/84/05/62/660840562.db2.gz NVHHIGYAMUCDLS-UHFFFAOYSA-N -1 0 357.388 -0.409 20 0 FBADRM C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000780352030 660840422 /nfs/dbraw/zinc/84/04/22/660840422.db2.gz ZKOCMZSYGWNEAE-LLVKDONJSA-N -1 0 371.415 -0.020 20 0 FBADRM C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000780352031 660840507 /nfs/dbraw/zinc/84/05/07/660840507.db2.gz ZKOCMZSYGWNEAE-NSHDSACASA-N -1 0 371.415 -0.020 20 0 FBADRM O=C([O-])CNC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000780359803 660840408 /nfs/dbraw/zinc/84/04/08/660840408.db2.gz VQWLQWJXESZRLO-UHFFFAOYSA-N -1 0 371.415 -0.268 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000780362324 660840487 /nfs/dbraw/zinc/84/04/87/660840487.db2.gz SUZFPLUVRZMBJU-CYBMUJFWSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000780362325 660840436 /nfs/dbraw/zinc/84/04/36/660840436.db2.gz SUZFPLUVRZMBJU-ZDUSSCGKSA-N -1 0 350.375 -0.087 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000780363668 660840404 /nfs/dbraw/zinc/84/04/04/660840404.db2.gz YQHGLKBQGVAKTA-CYBMUJFWSA-N -1 0 371.415 -0.269 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000780363669 660840516 /nfs/dbraw/zinc/84/05/16/660840516.db2.gz YQHGLKBQGVAKTA-ZDUSSCGKSA-N -1 0 371.415 -0.269 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000780367811 660840568 /nfs/dbraw/zinc/84/05/68/660840568.db2.gz CQKAOZWMKJMPSZ-UHFFFAOYSA-N -1 0 365.452 -0.019 20 0 FBADRM CS(=O)(=O)NC1(CNC(=O)N2CCOC[C@@H]2C(=O)[O-])CCCCC1 ZINC000780370315 660840524 /nfs/dbraw/zinc/84/05/24/660840524.db2.gz WRJIUXVJZMHDTG-LLVKDONJSA-N -1 0 363.436 -0.267 20 0 FBADRM CS(=O)(=O)NC1(CNC(=O)N2CCOC[C@H]2C(=O)[O-])CCCCC1 ZINC000780370323 660840540 /nfs/dbraw/zinc/84/05/40/660840540.db2.gz WRJIUXVJZMHDTG-NSHDSACASA-N -1 0 363.436 -0.267 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000780372042 660840470 /nfs/dbraw/zinc/84/04/70/660840470.db2.gz LZESMGUWRKYMIF-UHFFFAOYSA-N -1 0 359.404 -0.293 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000780373153 660840510 /nfs/dbraw/zinc/84/05/10/660840510.db2.gz VHWFZOSWZWOZFS-GFCCVEGCSA-N -1 0 357.388 -0.540 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000780373155 660840761 /nfs/dbraw/zinc/84/07/61/660840761.db2.gz VHWFZOSWZWOZFS-LBPRGKRZSA-N -1 0 357.388 -0.540 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)NCc1cccnc1N1CCOCC1 ZINC000780380069 660840733 /nfs/dbraw/zinc/84/07/33/660840733.db2.gz CEEJSXJYEZYMOU-CYBMUJFWSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)NCc1cccnc1N1CCOCC1 ZINC000780380070 660840697 /nfs/dbraw/zinc/84/06/97/660840697.db2.gz CEEJSXJYEZYMOU-ZDUSSCGKSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000780384404 660840902 /nfs/dbraw/zinc/84/09/02/660840902.db2.gz HNUNFDKEYDQEEI-CYBMUJFWSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000780384405 660840836 /nfs/dbraw/zinc/84/08/36/660840836.db2.gz HNUNFDKEYDQEEI-ZDUSSCGKSA-N -1 0 350.375 -0.087 20 0 FBADRM Cn1cnc(-c2ccc(C(=O)[N-]S(=O)(=O)N3CCOCC3)cc2)n1 ZINC000780389068 660840801 /nfs/dbraw/zinc/84/08/01/660840801.db2.gz YCLCLTCFEOUIAU-UHFFFAOYSA-N -1 0 351.388 -0.211 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c(-c2cccnc2)n1 ZINC000780392984 660840809 /nfs/dbraw/zinc/84/08/09/660840809.db2.gz OZPHNCUDXXSHKR-UHFFFAOYSA-N -1 0 351.388 -0.211 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)N(CCOC)CC(=O)[O-])CC1 ZINC000780406146 660840932 /nfs/dbraw/zinc/84/09/32/660840932.db2.gz KUERZHLTWMKDLH-UHFFFAOYSA-N -1 0 365.452 -0.067 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)N2CCOC[C@@H]2C(=O)[O-])CC1 ZINC000780406586 660840905 /nfs/dbraw/zinc/84/09/05/660840905.db2.gz NGAPOFAERLBVKQ-GFCCVEGCSA-N -1 0 363.436 -0.314 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)N2CCOC[C@H]2C(=O)[O-])CC1 ZINC000780406594 660840819 /nfs/dbraw/zinc/84/08/19/660840819.db2.gz NGAPOFAERLBVKQ-LBPRGKRZSA-N -1 0 363.436 -0.314 20 0 FBADRM CCCC[C@@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000780462472 660840851 /nfs/dbraw/zinc/84/08/51/660840851.db2.gz CYTHFUGZMFUIBQ-GFCCVEGCSA-N -1 0 364.468 -0.494 20 0 FBADRM CCCC[C@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000780462860 660840884 /nfs/dbraw/zinc/84/08/84/660840884.db2.gz CYTHFUGZMFUIBQ-LBPRGKRZSA-N -1 0 364.468 -0.494 20 0 FBADRM CC(C)C[C@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000780463313 660840947 /nfs/dbraw/zinc/84/09/47/660840947.db2.gz GCBOPKJCVRCDJS-LBPRGKRZSA-N -1 0 364.468 -0.638 20 0 FBADRM CC(C)(C)[C@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000780463543 660840928 /nfs/dbraw/zinc/84/09/28/660840928.db2.gz HJDDENVVIDBEDB-LLVKDONJSA-N -1 0 364.468 -0.638 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000780464368 660840752 /nfs/dbraw/zinc/84/07/52/660840752.db2.gz LYVUFGIMHQFTIW-RYUDHWBXSA-N -1 0 364.468 -0.638 20 0 FBADRM CCC[C@](C)(NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000780464386 660840748 /nfs/dbraw/zinc/84/07/48/660840748.db2.gz MFRZFGJVOFZJBO-AWEZNQCLSA-N -1 0 364.468 -0.494 20 0 FBADRM CCC[C@@](C)(NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000780464389 660840926 /nfs/dbraw/zinc/84/09/26/660840926.db2.gz MFRZFGJVOFZJBO-CQSZACIVSA-N -1 0 364.468 -0.494 20 0 FBADRM CC(C)CN(CC(=O)[O-])C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000780465494 660840744 /nfs/dbraw/zinc/84/07/44/660840744.db2.gz VHFGNYIMFSPEQR-UHFFFAOYSA-N -1 0 364.468 -0.684 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cnc(C(=O)OC)cn2)nc1C ZINC000780469987 660840706 /nfs/dbraw/zinc/84/07/06/660840706.db2.gz AMTMXNNGMMWCFP-UHFFFAOYSA-N -1 0 353.360 -0.093 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000780570296 660841190 /nfs/dbraw/zinc/84/11/90/660841190.db2.gz HSKXMHWYZMOZAI-UHFFFAOYSA-N -1 0 351.425 -0.552 20 0 FBADRM CC[C@@H](NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)C(=O)[O-] ZINC000780582911 660841029 /nfs/dbraw/zinc/84/10/29/660841029.db2.gz CAYABEKXXXSWJO-GFCCVEGCSA-N -1 0 373.435 -0.264 20 0 FBADRM CC[C@H](NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)C(=O)[O-] ZINC000780582913 660841290 /nfs/dbraw/zinc/84/12/90/660841290.db2.gz CAYABEKXXXSWJO-LBPRGKRZSA-N -1 0 373.435 -0.264 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)NC(C)(C)C(=O)[O-])CC2)cn1 ZINC000780583475 660841220 /nfs/dbraw/zinc/84/12/20/660841220.db2.gz GDDGHMVRBXRRNJ-UHFFFAOYSA-N -1 0 373.435 -0.264 20 0 FBADRM C[C@@H](NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)C(=O)[O-] ZINC000780583482 660841237 /nfs/dbraw/zinc/84/12/37/660841237.db2.gz GJYBONTUTHAEFC-SECBINFHSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@H](NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)C(=O)[O-] ZINC000780583483 660841063 /nfs/dbraw/zinc/84/10/63/660841063.db2.gz GJYBONTUTHAEFC-VIFPVBQESA-N -1 0 359.408 -0.655 20 0 FBADRM CCN(CC(=O)[O-])C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000780585230 660841167 /nfs/dbraw/zinc/84/11/67/660841167.db2.gz XQNLNPICDZEJNE-UHFFFAOYSA-N -1 0 373.435 -0.311 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000780603983 660841496 /nfs/dbraw/zinc/84/14/96/660841496.db2.gz IOUNCVRFKCTBNZ-GHMZBOCLSA-N -1 0 354.450 -0.575 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000780603985 660841384 /nfs/dbraw/zinc/84/13/84/660841384.db2.gz IOUNCVRFKCTBNZ-MNOVXSKESA-N -1 0 354.450 -0.575 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000780603987 660841538 /nfs/dbraw/zinc/84/15/38/660841538.db2.gz IOUNCVRFKCTBNZ-QWRGUYRKSA-N -1 0 354.450 -0.575 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000780603989 660841488 /nfs/dbraw/zinc/84/14/88/660841488.db2.gz IOUNCVRFKCTBNZ-WDEREUQCSA-N -1 0 354.450 -0.575 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)C1=O ZINC000780605295 660841424 /nfs/dbraw/zinc/84/14/24/660841424.db2.gz OGKJMBAQIAZJNP-JTQLQIEISA-N -1 0 361.420 -0.278 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)C1=O ZINC000780605307 660841525 /nfs/dbraw/zinc/84/15/25/660841525.db2.gz OGKJMBAQIAZJNP-SNVBAGLBSA-N -1 0 361.420 -0.278 20 0 FBADRM Cn1c2ccccc2n(CC(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)c1=O ZINC000780607038 660841542 /nfs/dbraw/zinc/84/15/42/660841542.db2.gz BEGFHKQAVAOELI-LLVKDONJSA-N -1 0 353.400 -0.035 20 0 FBADRM Cn1c2ccccc2n(CC(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)c1=O ZINC000780607045 660841544 /nfs/dbraw/zinc/84/15/44/660841544.db2.gz BEGFHKQAVAOELI-NSHDSACASA-N -1 0 353.400 -0.035 20 0 FBADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1cn(Cc2ccccn2)nn1 ZINC000780608005 660841493 /nfs/dbraw/zinc/84/14/93/660841493.db2.gz SKILOPVDHXPNJB-GFCCVEGCSA-N -1 0 351.388 -0.040 20 0 FBADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1cn(Cc2ccccn2)nn1 ZINC000780608019 660841457 /nfs/dbraw/zinc/84/14/57/660841457.db2.gz SKILOPVDHXPNJB-LBPRGKRZSA-N -1 0 351.388 -0.040 20 0 FBADRM CC1(C)NC(=O)N(CCCC(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)C1=O ZINC000780608776 660841453 /nfs/dbraw/zinc/84/14/53/660841453.db2.gz FVLKKVBILQKETI-JTQLQIEISA-N -1 0 361.420 -0.278 20 0 FBADRM CC1(C)NC(=O)N(CCCC(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)C1=O ZINC000780608777 660841546 /nfs/dbraw/zinc/84/15/46/660841546.db2.gz FVLKKVBILQKETI-SNVBAGLBSA-N -1 0 361.420 -0.278 20 0 FBADRM O=C(Cn1nnc2ccccc2c1=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000780610389 660841532 /nfs/dbraw/zinc/84/15/32/660841532.db2.gz PNWZXSDJNDXRAN-JTQLQIEISA-N -1 0 352.372 -0.584 20 0 FBADRM O=C(Cn1nnc2ccccc2c1=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000780610395 660841434 /nfs/dbraw/zinc/84/14/34/660841434.db2.gz PNWZXSDJNDXRAN-SNVBAGLBSA-N -1 0 352.372 -0.584 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)ccc1OCC(N)=O ZINC000780610654 660841505 /nfs/dbraw/zinc/84/15/05/660841505.db2.gz NTEZJRANHIEHQY-LLVKDONJSA-N -1 0 372.399 -0.202 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)ccc1OCC(N)=O ZINC000780610655 660841413 /nfs/dbraw/zinc/84/14/13/660841413.db2.gz NTEZJRANHIEHQY-NSHDSACASA-N -1 0 372.399 -0.202 20 0 FBADRM O=C(Cc1ccc(-n2cnnn2)cc1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000780612063 660841534 /nfs/dbraw/zinc/84/15/34/660841534.db2.gz VOQFAABTLXYOQO-CYBMUJFWSA-N -1 0 351.388 -0.170 20 0 FBADRM O=C(Cc1ccc(-n2cnnn2)cc1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000780612085 660841398 /nfs/dbraw/zinc/84/13/98/660841398.db2.gz VOQFAABTLXYOQO-ZDUSSCGKSA-N -1 0 351.388 -0.170 20 0 FBADRM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000780613485 660841539 /nfs/dbraw/zinc/84/15/39/660841539.db2.gz SVWYZTCBJQSYKT-JTQLQIEISA-N -1 0 367.383 -0.273 20 0 FBADRM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000780613486 660841516 /nfs/dbraw/zinc/84/15/16/660841516.db2.gz SVWYZTCBJQSYKT-SNVBAGLBSA-N -1 0 367.383 -0.273 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1)N1C(=O)NC2(CCCC2)C1=O ZINC000780614231 660841510 /nfs/dbraw/zinc/84/15/10/660841510.db2.gz AMXITMPUWIUCIS-GHMZBOCLSA-N -1 0 373.431 -0.136 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1)N1C(=O)NC2(CCCC2)C1=O ZINC000780614242 660841529 /nfs/dbraw/zinc/84/15/29/660841529.db2.gz AMXITMPUWIUCIS-MNOVXSKESA-N -1 0 373.431 -0.136 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1)N1C(=O)NC2(CCCC2)C1=O ZINC000780614244 660841439 /nfs/dbraw/zinc/84/14/39/660841439.db2.gz AMXITMPUWIUCIS-QWRGUYRKSA-N -1 0 373.431 -0.136 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1)N1C(=O)NC2(CCCC2)C1=O ZINC000780614247 660841387 /nfs/dbraw/zinc/84/13/87/660841387.db2.gz AMXITMPUWIUCIS-WDEREUQCSA-N -1 0 373.431 -0.136 20 0 FBADRM O=C(CCn1nnc2ccccc2c1=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000780617282 660841428 /nfs/dbraw/zinc/84/14/28/660841428.db2.gz QKVDICXPJBBEDQ-LLVKDONJSA-N -1 0 366.399 -0.193 20 0 FBADRM O=C(CCn1nnc2ccccc2c1=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000780617284 660841522 /nfs/dbraw/zinc/84/15/22/660841522.db2.gz QKVDICXPJBBEDQ-NSHDSACASA-N -1 0 366.399 -0.193 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)nnn1C ZINC000780626328 660841443 /nfs/dbraw/zinc/84/14/43/660841443.db2.gz PIWSIOOFQRUTIV-UHFFFAOYSA-N -1 0 351.388 -0.056 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000780629702 660841508 /nfs/dbraw/zinc/84/15/08/660841508.db2.gz GJGVDRFALDQEFA-UHFFFAOYSA-N -1 0 371.415 -0.702 20 0 FBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000780629772 660841500 /nfs/dbraw/zinc/84/15/00/660841500.db2.gz WIRDLIVCKLATNH-VIFPVBQESA-N -1 0 357.388 -0.062 20 0 FBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000780632454 660841471 /nfs/dbraw/zinc/84/14/71/660841471.db2.gz ZNTBNCKPQNFRCL-UHFFFAOYSA-N -1 0 357.388 -0.061 20 0 FBADRM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(N)=O)c2)cc1 ZINC000780633085 660841513 /nfs/dbraw/zinc/84/15/13/660841513.db2.gz WCFFCKFYBALHKU-UHFFFAOYSA-N -1 0 364.383 -0.066 20 0 FBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000780633356 660841420 /nfs/dbraw/zinc/84/14/20/660841420.db2.gz ZQWFMGDNXRNJCS-UHFFFAOYSA-N -1 0 357.388 -0.109 20 0 FBADRM O=C([O-])C1(NC(=O)NCCNS(=O)(=O)Cc2ccon2)CCCC1 ZINC000780635655 660841548 /nfs/dbraw/zinc/84/15/48/660841548.db2.gz BCHBQBJCJXZVJY-UHFFFAOYSA-N -1 0 360.392 -0.209 20 0 FBADRM CC(C)(C)[C@H](NC(=O)NCCNS(=O)(=O)Cc1ccon1)C(=O)[O-] ZINC000780635860 660841403 /nfs/dbraw/zinc/84/14/03/660841403.db2.gz CXYQFDVHGOASMN-SNVBAGLBSA-N -1 0 362.408 -0.108 20 0 FBADRM O=C([O-])[C@H]1CCCCN1C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000780636409 660841527 /nfs/dbraw/zinc/84/15/27/660841527.db2.gz IRZMYJCLJOVCFA-LLVKDONJSA-N -1 0 360.392 -0.257 20 0 FBADRM O=C([O-])[C@@H]1CCCCN1C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000780636413 660841756 /nfs/dbraw/zinc/84/17/56/660841756.db2.gz IRZMYJCLJOVCFA-NSHDSACASA-N -1 0 360.392 -0.257 20 0 FBADRM CC(C)CN(CC(=O)[O-])C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000780636463 660841769 /nfs/dbraw/zinc/84/17/69/660841769.db2.gz JHOSAZRJCLXDOM-UHFFFAOYSA-N -1 0 362.408 -0.154 20 0 FBADRM CC(C)C[C@H](NC(=O)NCCNS(=O)(=O)Cc1ccon1)C(=O)[O-] ZINC000780637235 660841706 /nfs/dbraw/zinc/84/17/06/660841706.db2.gz NLNOGKCPHQRSHK-NSHDSACASA-N -1 0 362.408 -0.108 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)NCCNS(=O)(=O)Cc1ccon1)C(=O)[O-] ZINC000780637905 660841751 /nfs/dbraw/zinc/84/17/51/660841751.db2.gz RWCZQXUVXGGEOU-ONGXEEELSA-N -1 0 362.408 -0.108 20 0 FBADRM C[C@](NC(=O)NCCNS(=O)(=O)Cc1ccon1)(C(=O)[O-])C1CC1 ZINC000780638060 660841776 /nfs/dbraw/zinc/84/17/76/660841776.db2.gz VCRFDUABZCNAKO-CYBMUJFWSA-N -1 0 360.392 -0.354 20 0 FBADRM C[C@@](NC(=O)NCCNS(=O)(=O)Cc1ccon1)(C(=O)[O-])C1CC1 ZINC000780638061 660841661 /nfs/dbraw/zinc/84/16/61/660841661.db2.gz VCRFDUABZCNAKO-ZDUSSCGKSA-N -1 0 360.392 -0.354 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000780648543 660841760 /nfs/dbraw/zinc/84/17/60/660841760.db2.gz GNXRZSGCGPXHPA-GFCCVEGCSA-N -1 0 361.420 -0.562 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000780648577 660841679 /nfs/dbraw/zinc/84/16/79/660841679.db2.gz GNXRZSGCGPXHPA-LBPRGKRZSA-N -1 0 361.420 -0.562 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000780649739 660841735 /nfs/dbraw/zinc/84/17/35/660841735.db2.gz NFIQQICAFZRLQV-UHFFFAOYSA-N -1 0 363.436 -0.314 20 0 FBADRM CCNS(=O)(=O)c1ccc(CNC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000780674149 660841669 /nfs/dbraw/zinc/84/16/69/660841669.db2.gz ARIUEARKSXGDTL-CYBMUJFWSA-N -1 0 371.415 -0.020 20 0 FBADRM CCNS(=O)(=O)c1ccc(CNC(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000780674151 660841782 /nfs/dbraw/zinc/84/17/82/660841782.db2.gz ARIUEARKSXGDTL-ZDUSSCGKSA-N -1 0 371.415 -0.020 20 0 FBADRM O=C([O-])[C@@H](CC(F)F)NC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000780694036 660841738 /nfs/dbraw/zinc/84/17/38/660841738.db2.gz JMTUNXTYAONDSC-SECBINFHSA-N -1 0 366.346 -0.233 20 0 FBADRM O=C([O-])[C@H](CC(F)F)NC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000780694037 660841640 /nfs/dbraw/zinc/84/16/40/660841640.db2.gz JMTUNXTYAONDSC-VIFPVBQESA-N -1 0 366.346 -0.233 20 0 FBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1 ZINC000780695074 660841747 /nfs/dbraw/zinc/84/17/47/660841747.db2.gz MTBHROIFSRSJAV-MRVPVSSYSA-N -1 0 361.342 -0.074 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1 ZINC000780695086 660841711 /nfs/dbraw/zinc/84/17/11/660841711.db2.gz MTBHROIFSRSJAV-QMMMGPOBSA-N -1 0 361.342 -0.074 20 0 FBADRM C[C@@](NC(=O)NCCNS(=O)(=O)c1cccnc1)(C(=O)[O-])C1CC1 ZINC000780695392 660841595 /nfs/dbraw/zinc/84/15/95/660841595.db2.gz QYUXPANTJWKWBA-AWEZNQCLSA-N -1 0 356.404 -0.088 20 0 FBADRM C[C@](NC(=O)NCCNS(=O)(=O)c1cccnc1)(C(=O)[O-])C1CC1 ZINC000780695393 660841743 /nfs/dbraw/zinc/84/17/43/660841743.db2.gz QYUXPANTJWKWBA-CQSZACIVSA-N -1 0 356.404 -0.088 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000780696638 660841675 /nfs/dbraw/zinc/84/16/75/660841675.db2.gz ZZQXAMJFGOSOKW-UHFFFAOYSA-N -1 0 360.392 -0.898 20 0 FBADRM COCCO[N-]C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000780852653 660842182 /nfs/dbraw/zinc/84/21/82/660842182.db2.gz KMGDOHIJXAHZDX-YPMHNXCESA-N -1 0 362.379 -0.356 20 0 FBADRM CCO[C@H]1C[C@]([N-]S(=O)(=O)CCS(C)(=O)=O)(C(=O)OC)C1(C)C ZINC000780937499 660842871 /nfs/dbraw/zinc/84/28/71/660842871.db2.gz YEEIZCPMLZPLLE-GWCFXTLKSA-N -1 0 371.477 -0.303 20 0 FBADRM CCO[C@H]1C[C@@]([N-]S(=O)(=O)CCS(C)(=O)=O)(C(=O)OC)C1(C)C ZINC000780937503 660842848 /nfs/dbraw/zinc/84/28/48/660842848.db2.gz YEEIZCPMLZPLLE-GXFFZTMASA-N -1 0 371.477 -0.303 20 0 FBADRM CCO[C@@H]1C[C@]([N-]S(=O)(=O)CCS(C)(=O)=O)(C(=O)OC)C1(C)C ZINC000780937505 660842729 /nfs/dbraw/zinc/84/27/29/660842729.db2.gz YEEIZCPMLZPLLE-MFKMUULPSA-N -1 0 371.477 -0.303 20 0 FBADRM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)CCS(C)(=O)=O)(C(=O)OC)C1(C)C ZINC000780937506 660842805 /nfs/dbraw/zinc/84/28/05/660842805.db2.gz YEEIZCPMLZPLLE-ZWNOBZJWSA-N -1 0 371.477 -0.303 20 0 FBADRM CC(=O)NCCN(C(=O)c1ccc(N2CCOCC2)nc1)[C@H](C)C(=O)[O-] ZINC000781134910 597683595 /nfs/dbraw/zinc/68/35/95/597683595.db2.gz JXMHWTULYJRLDC-GFCCVEGCSA-N -1 0 364.402 -0.030 20 0 FBADRM CC(=O)NCCN(C(=O)c1ccc(N2CCOCC2)nc1)[C@@H](C)C(=O)[O-] ZINC000781134911 597683601 /nfs/dbraw/zinc/68/36/01/597683601.db2.gz JXMHWTULYJRLDC-LBPRGKRZSA-N -1 0 364.402 -0.030 20 0 FBADRM CNC(=O)c1cncc(/C=C\C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c1 ZINC000781135428 597686768 /nfs/dbraw/zinc/68/67/68/597686768.db2.gz YTEVPJVDFSJHLN-DOGVGXBMSA-N -1 0 362.386 -0.108 20 0 FBADRM CNC(=O)c1cncc(/C=C/C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c1 ZINC000781135430 597686911 /nfs/dbraw/zinc/68/69/11/597686911.db2.gz YTEVPJVDFSJHLN-SGUJLRQBSA-N -1 0 362.386 -0.108 20 0 FBADRM CNC(=O)c1cncc(/C=C\C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c1 ZINC000781135431 597686922 /nfs/dbraw/zinc/68/69/22/597686922.db2.gz YTEVPJVDFSJHLN-WYGGZMRJSA-N -1 0 362.386 -0.108 20 0 FBADRM CNC(=O)c1cncc(/C=C/C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c1 ZINC000781135433 597686883 /nfs/dbraw/zinc/68/68/83/597686883.db2.gz YTEVPJVDFSJHLN-ZWNMCFTASA-N -1 0 362.386 -0.108 20 0 FBADRM CC(=O)NCCN(C(=O)c1nn(C)c(=O)c2ccccc21)[C@@H](C)C(=O)[O-] ZINC000781136436 597689641 /nfs/dbraw/zinc/68/96/41/597689641.db2.gz JUJMGYJSVHWRIG-JTQLQIEISA-N -1 0 360.370 -0.015 20 0 FBADRM CC(=O)NCCN(C(=O)c1nn(C)c(=O)c2ccccc21)[C@H](C)C(=O)[O-] ZINC000781136438 597689578 /nfs/dbraw/zinc/68/95/78/597689578.db2.gz JUJMGYJSVHWRIG-SNVBAGLBSA-N -1 0 360.370 -0.015 20 0 FBADRM CC(=O)NCCN(C(=O)Cc1csc(-c2nc[nH]n2)n1)[C@H](C)C(=O)[O-] ZINC000781137521 597686933 /nfs/dbraw/zinc/68/69/33/597686933.db2.gz ZJHMOKZWSBVYMF-MRVPVSSYSA-N -1 0 366.403 -0.092 20 0 FBADRM CC(=O)NCCN(C(=O)Cc1csc(-c2nc[nH]n2)n1)[C@@H](C)C(=O)[O-] ZINC000781137523 597686750 /nfs/dbraw/zinc/68/67/50/597686750.db2.gz ZJHMOKZWSBVYMF-QMMMGPOBSA-N -1 0 366.403 -0.092 20 0 FBADRM CCc1nn(C)c(Cl)c1CN1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000781162726 604754574 /nfs/dbraw/zinc/75/45/74/604754574.db2.gz NWYWSASUVRITBN-UHFFFAOYSA-N -1 0 357.842 -0.046 20 0 FBADRM Cn1cnn(CC(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)c1=O ZINC000781265272 660843572 /nfs/dbraw/zinc/84/35/72/660843572.db2.gz CAQAOFQMTCKCLN-UHFFFAOYSA-N -1 0 351.344 -0.853 20 0 FBADRM CCn1cc(CC(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cn1 ZINC000781442772 660844401 /nfs/dbraw/zinc/84/44/01/660844401.db2.gz MREBCLKHRGRIBZ-UHFFFAOYSA-N -1 0 361.387 -0.074 20 0 FBADRM O=C(/C=C\c1ccncn1)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000781443577 660844344 /nfs/dbraw/zinc/84/43/44/660844344.db2.gz ZJLORBGFDHPDIN-PLNGDYQASA-N -1 0 357.355 -0.029 20 0 FBADRM O=C(/C=C/c1ccncn1)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000781443581 660844403 /nfs/dbraw/zinc/84/44/03/660844403.db2.gz ZJLORBGFDHPDIN-SNAWJCMRSA-N -1 0 357.355 -0.029 20 0 FBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)on1 ZINC000781444119 660844395 /nfs/dbraw/zinc/84/43/95/660844395.db2.gz IHCDPRGYCYZZFZ-UHFFFAOYSA-N -1 0 356.316 -0.983 20 0 FBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)on1 ZINC000781452719 660844623 /nfs/dbraw/zinc/84/46/23/660844623.db2.gz ABFPAQUQPMLZQW-UHFFFAOYSA-N -1 0 367.339 -0.013 20 0 FBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)on1 ZINC000781455369 660844539 /nfs/dbraw/zinc/84/45/39/660844539.db2.gz ZGUURGYGWNASFG-UHFFFAOYSA-N -1 0 359.341 -0.260 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)/C=C\c2ccncn2)CC1 ZINC000781457845 660844506 /nfs/dbraw/zinc/84/45/06/660844506.db2.gz JYZQRJRCAWJZDA-IHWYPQMZSA-N -1 0 354.388 -0.264 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)/C=C/c2ccncn2)CC1 ZINC000781457847 660844671 /nfs/dbraw/zinc/84/46/71/660844671.db2.gz JYZQRJRCAWJZDA-NSCUHMNNSA-N -1 0 354.388 -0.264 20 0 FBADRM CCn1cc(CC(=O)[N-]S(=O)(=O)N2CCC(C(=O)OC)CC2)cn1 ZINC000781458392 660844525 /nfs/dbraw/zinc/84/45/25/660844525.db2.gz NHAMIBXZSZPJAX-UHFFFAOYSA-N -1 0 358.420 -0.309 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc(C(=O)OC)no2)cc1 ZINC000781468977 660844572 /nfs/dbraw/zinc/84/45/72/660844572.db2.gz IPLJIOVUEPRANO-UHFFFAOYSA-N -1 0 367.339 -0.061 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)Cc1cnn(CC)c1 ZINC000781473326 660844639 /nfs/dbraw/zinc/84/46/39/660844639.db2.gz OHJOQUJFCDUWGD-GFCCVEGCSA-N -1 0 358.420 -0.166 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)Cc1cnn(CC)c1 ZINC000781473327 660844592 /nfs/dbraw/zinc/84/45/92/660844592.db2.gz OHJOQUJFCDUWGD-LBPRGKRZSA-N -1 0 358.420 -0.166 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)/C=C/c1ccncn1 ZINC000781473521 660844595 /nfs/dbraw/zinc/84/45/95/660844595.db2.gz XBHHIHSQINFOKK-BTDICHCPSA-N -1 0 354.388 -0.122 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)/C=C\c1ccncn1 ZINC000781473522 660844545 /nfs/dbraw/zinc/84/45/45/660844545.db2.gz XBHHIHSQINFOKK-FJOGCWAESA-N -1 0 354.388 -0.122 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)/C=C\c1ccncn1 ZINC000781473523 660844596 /nfs/dbraw/zinc/84/45/96/660844596.db2.gz XBHHIHSQINFOKK-FOQNGQEVSA-N -1 0 354.388 -0.122 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)/C=C/c1ccncn1 ZINC000781473524 660844631 /nfs/dbraw/zinc/84/46/31/660844631.db2.gz XBHHIHSQINFOKK-FYJFLYSWSA-N -1 0 354.388 -0.122 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC000781475204 660844661 /nfs/dbraw/zinc/84/46/61/660844661.db2.gz UHQCPRRPMWRWBA-UHFFFAOYSA-N -1 0 369.403 -0.167 20 0 FBADRM Cn1cc(-c2nn(C)cc2C(=O)[N-]S(=O)(=O)N2CCOCC2)cn1 ZINC000781486571 660844643 /nfs/dbraw/zinc/84/46/43/660844643.db2.gz DLLZMLWVMLFXDY-UHFFFAOYSA-N -1 0 354.392 -0.873 20 0 FBADRM O=C(Cn1nnc2ccccc2c1=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000781499221 660844518 /nfs/dbraw/zinc/84/45/18/660844518.db2.gz DSPOALVXNLAMNT-JTQLQIEISA-N -1 0 352.372 -0.584 20 0 FBADRM O=C(Cn1nnc2ccccc2c1=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000781499225 660844579 /nfs/dbraw/zinc/84/45/79/660844579.db2.gz DSPOALVXNLAMNT-SNVBAGLBSA-N -1 0 352.372 -0.584 20 0 FBADRM Cn1c2ccccc2n(CC(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)c1=O ZINC000781501578 660844796 /nfs/dbraw/zinc/84/47/96/660844796.db2.gz XLKIEFHUOQSBCP-LLVKDONJSA-N -1 0 353.400 -0.035 20 0 FBADRM Cn1c2ccccc2n(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)c1=O ZINC000781501579 660844841 /nfs/dbraw/zinc/84/48/41/660844841.db2.gz XLKIEFHUOQSBCP-NSHDSACASA-N -1 0 353.400 -0.035 20 0 FBADRM CC1(C)NC(=O)N(CCCC(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)C1=O ZINC000781501898 660844868 /nfs/dbraw/zinc/84/48/68/660844868.db2.gz XURHAQHTNSMQEX-JTQLQIEISA-N -1 0 361.420 -0.278 20 0 FBADRM CC1(C)NC(=O)N(CCCC(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)C1=O ZINC000781501899 660844805 /nfs/dbraw/zinc/84/48/05/660844805.db2.gz XURHAQHTNSMQEX-SNVBAGLBSA-N -1 0 361.420 -0.278 20 0 FBADRM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000781502682 660844832 /nfs/dbraw/zinc/84/48/32/660844832.db2.gz CWGIACITCQQXAI-JTQLQIEISA-N -1 0 367.383 -0.273 20 0 FBADRM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000781502691 660844814 /nfs/dbraw/zinc/84/48/14/660844814.db2.gz CWGIACITCQQXAI-SNVBAGLBSA-N -1 0 367.383 -0.273 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)C1=O ZINC000781502817 660844784 /nfs/dbraw/zinc/84/47/84/660844784.db2.gz FVVPXMRNWZCCRO-HZMBPMFUSA-N -1 0 359.404 -0.668 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)C1=O ZINC000781502818 660844860 /nfs/dbraw/zinc/84/48/60/660844860.db2.gz FVVPXMRNWZCCRO-IINYFYTJSA-N -1 0 359.404 -0.668 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)C1=O ZINC000781502819 660844807 /nfs/dbraw/zinc/84/48/07/660844807.db2.gz FVVPXMRNWZCCRO-QMTHXVAHSA-N -1 0 359.404 -0.668 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)C1=O ZINC000781502820 660844862 /nfs/dbraw/zinc/84/48/62/660844862.db2.gz FVVPXMRNWZCCRO-YGRLFVJLSA-N -1 0 359.404 -0.668 20 0 FBADRM O=C(Cc1ccc(-n2cnnn2)cc1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000781505093 660844802 /nfs/dbraw/zinc/84/48/02/660844802.db2.gz VMYBUFPMNSPBER-CYBMUJFWSA-N -1 0 351.388 -0.170 20 0 FBADRM O=C(Cc1ccc(-n2cnnn2)cc1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000781505094 660844828 /nfs/dbraw/zinc/84/48/28/660844828.db2.gz VMYBUFPMNSPBER-ZDUSSCGKSA-N -1 0 351.388 -0.170 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)ccc1OCC(N)=O ZINC000781505380 660844779 /nfs/dbraw/zinc/84/47/79/660844779.db2.gz XNLRIAKUQLMHDC-LLVKDONJSA-N -1 0 372.399 -0.202 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)ccc1OCC(N)=O ZINC000781505381 660844850 /nfs/dbraw/zinc/84/48/50/660844850.db2.gz XNLRIAKUQLMHDC-NSHDSACASA-N -1 0 372.399 -0.202 20 0 FBADRM O=C(CCN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000781506625 660844843 /nfs/dbraw/zinc/84/48/43/660844843.db2.gz NPDQPXHSKZDMRK-LLVKDONJSA-N -1 0 373.431 -0.134 20 0 FBADRM O=C(CCN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000781506629 660844763 /nfs/dbraw/zinc/84/47/63/660844763.db2.gz NPDQPXHSKZDMRK-NSHDSACASA-N -1 0 373.431 -0.134 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC000781507207 660844790 /nfs/dbraw/zinc/84/47/90/660844790.db2.gz KUUMZVFCBRIBOX-UHFFFAOYSA-N -1 0 356.408 -0.627 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCN1C(=O)OC(C)(C)C ZINC000781507230 660844869 /nfs/dbraw/zinc/84/48/69/660844869.db2.gz LKTCLCCAKBLIIY-SNVBAGLBSA-N -1 0 351.425 -0.065 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)C1=O ZINC000781508983 660844856 /nfs/dbraw/zinc/84/48/56/660844856.db2.gz USRXEKCWBFIWIR-JTQLQIEISA-N -1 0 361.420 -0.278 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)C1=O ZINC000781508988 660844834 /nfs/dbraw/zinc/84/48/34/660844834.db2.gz USRXEKCWBFIWIR-SNVBAGLBSA-N -1 0 361.420 -0.278 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000781508992 660844786 /nfs/dbraw/zinc/84/47/86/660844786.db2.gz USZNVGYTPVTKFX-GHMZBOCLSA-N -1 0 354.450 -0.575 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000781508993 660844847 /nfs/dbraw/zinc/84/48/47/660844847.db2.gz USZNVGYTPVTKFX-MNOVXSKESA-N -1 0 354.450 -0.575 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000781508995 660844772 /nfs/dbraw/zinc/84/47/72/660844772.db2.gz USZNVGYTPVTKFX-QWRGUYRKSA-N -1 0 354.450 -0.575 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000781508997 660844867 /nfs/dbraw/zinc/84/48/67/660844867.db2.gz USZNVGYTPVTKFX-WDEREUQCSA-N -1 0 354.450 -0.575 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1)N1C(=O)NC2(CCCC2)C1=O ZINC000781510897 660844820 /nfs/dbraw/zinc/84/48/20/660844820.db2.gz HPPGTGNWDJWJAZ-GHMZBOCLSA-N -1 0 373.431 -0.136 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1)N1C(=O)NC2(CCCC2)C1=O ZINC000781510899 660844776 /nfs/dbraw/zinc/84/47/76/660844776.db2.gz HPPGTGNWDJWJAZ-MNOVXSKESA-N -1 0 373.431 -0.136 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1)N1C(=O)NC2(CCCC2)C1=O ZINC000781510900 660844788 /nfs/dbraw/zinc/84/47/88/660844788.db2.gz HPPGTGNWDJWJAZ-QWRGUYRKSA-N -1 0 373.431 -0.136 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1)N1C(=O)NC2(CCCC2)C1=O ZINC000781510903 660844818 /nfs/dbraw/zinc/84/48/18/660844818.db2.gz HPPGTGNWDJWJAZ-WDEREUQCSA-N -1 0 373.431 -0.136 20 0 FBADRM O=C(CCn1nnc2ccccc2c1=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000781513556 660844838 /nfs/dbraw/zinc/84/48/38/660844838.db2.gz ZXBDLBFUMSZDBS-LLVKDONJSA-N -1 0 366.399 -0.193 20 0 FBADRM O=C(CCn1nnc2ccccc2c1=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000781513558 660844873 /nfs/dbraw/zinc/84/48/73/660844873.db2.gz ZXBDLBFUMSZDBS-NSHDSACASA-N -1 0 366.399 -0.193 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)o1 ZINC000781513807 660844766 /nfs/dbraw/zinc/84/47/66/660844766.db2.gz BYGLYRSUXXBKJA-SECBINFHSA-N -1 0 366.417 -0.232 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)o1 ZINC000781513810 660844809 /nfs/dbraw/zinc/84/48/09/660844809.db2.gz BYGLYRSUXXBKJA-VIFPVBQESA-N -1 0 366.417 -0.232 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000781513978 660844853 /nfs/dbraw/zinc/84/48/53/660844853.db2.gz WATHVAVGENXERP-SECBINFHSA-N -1 0 365.433 -0.496 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000781513979 660844823 /nfs/dbraw/zinc/84/48/23/660844823.db2.gz WATHVAVGENXERP-VIFPVBQESA-N -1 0 365.433 -0.496 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1cn(Cc2ccccn2)nn1 ZINC000781514220 660844865 /nfs/dbraw/zinc/84/48/65/660844865.db2.gz YLEKHVNNMCMRMD-GFCCVEGCSA-N -1 0 351.388 -0.040 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1cn(Cc2ccccn2)nn1 ZINC000781514221 660844811 /nfs/dbraw/zinc/84/48/11/660844811.db2.gz YLEKHVNNMCMRMD-LBPRGKRZSA-N -1 0 351.388 -0.040 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC000781515507 660845123 /nfs/dbraw/zinc/84/51/23/660845123.db2.gz CGISYZFQOTYYHR-UHFFFAOYSA-N -1 0 371.419 -0.457 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)co1 ZINC000781519885 660845066 /nfs/dbraw/zinc/84/50/66/660845066.db2.gz ZEUPUXYJECYBFM-JTQLQIEISA-N -1 0 366.417 -0.232 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)co1 ZINC000781519888 660845094 /nfs/dbraw/zinc/84/50/94/660845094.db2.gz ZEUPUXYJECYBFM-SNVBAGLBSA-N -1 0 366.417 -0.232 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)/C=C\c2ccncn2)s1 ZINC000781526575 660845128 /nfs/dbraw/zinc/84/51/28/660845128.db2.gz ICKGVDPXBCAASU-IHWYPQMZSA-N -1 0 354.373 -0.195 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)/C=C/c2ccncn2)s1 ZINC000781526613 660845043 /nfs/dbraw/zinc/84/50/43/660845043.db2.gz ICKGVDPXBCAASU-NSCUHMNNSA-N -1 0 354.373 -0.195 20 0 FBADRM CCn1cc(CC(=O)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cn1 ZINC000781527003 660845153 /nfs/dbraw/zinc/84/51/53/660845153.db2.gz MZGWLRVGYPHARK-UHFFFAOYSA-N -1 0 358.405 -0.240 20 0 FBADRM CC(C)(C)OC(=O)NCc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)co1 ZINC000781546842 660845137 /nfs/dbraw/zinc/84/51/37/660845137.db2.gz OMZGZTTWWLFRQP-UHFFFAOYSA-N -1 0 361.376 -0.151 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000781547318 660845024 /nfs/dbraw/zinc/84/50/24/660845024.db2.gz SIXJMIKZEJXFKT-LKFCYVNXSA-N -1 0 361.420 -0.435 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000781547322 660845155 /nfs/dbraw/zinc/84/51/55/660845155.db2.gz SIXJMIKZEJXFKT-OTYXRUKQSA-N -1 0 361.420 -0.435 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000781547323 660845063 /nfs/dbraw/zinc/84/50/63/660845063.db2.gz SIXJMIKZEJXFKT-XPTSAGLGSA-N -1 0 361.420 -0.435 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000781547325 660845151 /nfs/dbraw/zinc/84/51/51/660845151.db2.gz SIXJMIKZEJXFKT-YMTOWFKASA-N -1 0 361.420 -0.435 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cnc2ncc(Br)cc2c1 ZINC000781547359 660845097 /nfs/dbraw/zinc/84/50/97/660845097.db2.gz TTWFANBSWZAYNL-UHFFFAOYSA-N -1 0 373.188 -0.063 20 0 FBADRM CSc1ccc(S(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)cc1 ZINC000781634520 660845562 /nfs/dbraw/zinc/84/55/62/660845562.db2.gz YSMPILJGQKSXKB-UHFFFAOYSA-N -1 0 369.424 -0.226 20 0 FBADRM CSc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000781638910 660845611 /nfs/dbraw/zinc/84/56/11/660845611.db2.gz RIHMYDOEMUKGEX-UHFFFAOYSA-N -1 0 369.424 -0.075 20 0 FBADRM CSc1ccc(S(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)cc1 ZINC000781640566 660845494 /nfs/dbraw/zinc/84/54/94/660845494.db2.gz NRBZPUZKJBCSMQ-UHFFFAOYSA-N -1 0 355.401 -0.396 20 0 FBADRM CCOC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)COC)c1 ZINC000781643748 660845603 /nfs/dbraw/zinc/84/56/03/660845603.db2.gz GKPJDMBOVYIIHL-UHFFFAOYSA-N -1 0 372.399 -0.227 20 0 FBADRM CCOC(=O)c1cccc(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)c1 ZINC000781646759 660845521 /nfs/dbraw/zinc/84/55/21/660845521.db2.gz UTSPODBEQOEIQE-UHFFFAOYSA-N -1 0 368.371 -0.736 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2cnn(CC3CC3)c2)CC1=O ZINC000781718439 660845584 /nfs/dbraw/zinc/84/55/84/660845584.db2.gz FISIHEFLFUWRDL-GFCCVEGCSA-N -1 0 370.431 -0.407 20 0 FBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2cnn(CC3CC3)c2)CC1=O ZINC000781718440 660845553 /nfs/dbraw/zinc/84/55/53/660845553.db2.gz FISIHEFLFUWRDL-LBPRGKRZSA-N -1 0 370.431 -0.407 20 0 FBADRM Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000781720561 660845839 /nfs/dbraw/zinc/84/58/39/660845839.db2.gz RTCIAUIMHZMJGM-UHFFFAOYSA-N -1 0 351.388 -0.151 20 0 FBADRM O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000781720562 660845786 /nfs/dbraw/zinc/84/57/86/660845786.db2.gz RXJKSPCMMQXDDM-UHFFFAOYSA-N -1 0 354.388 -0.363 20 0 FBADRM O=C(CCCN1C(=O)CNC1=O)[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000781720826 660845815 /nfs/dbraw/zinc/84/58/15/660845815.db2.gz ZWPOPUWWEDYCFH-UHFFFAOYSA-N -1 0 369.403 -0.570 20 0 FBADRM COC(=O)c1cnc(C(=O)[N-]S(=O)(=O)c2cnn(CC3CC3)c2)cn1 ZINC000781721119 660845822 /nfs/dbraw/zinc/84/58/22/660845822.db2.gz XVGVRTZISVJZBR-UHFFFAOYSA-N -1 0 365.371 -0.012 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)C1(CNC(=O)OC(C)(C)C)CC1 ZINC000781727475 660845781 /nfs/dbraw/zinc/84/57/81/660845781.db2.gz ACCPSKLIGLEPGL-UHFFFAOYSA-N -1 0 359.408 -0.075 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CCn1cc(Br)cn1 ZINC000781727543 660845851 /nfs/dbraw/zinc/84/58/51/660845851.db2.gz APCONDUARJRKDT-UHFFFAOYSA-N -1 0 363.197 -0.331 20 0 FBADRM CCC(CC)[C@H](C(=O)[N-]S(=O)(=O)c1cnnn1C)N1CCOCC1 ZINC000781727730 660845848 /nfs/dbraw/zinc/84/58/48/660845848.db2.gz DCHQWEAAPMXQEB-CYBMUJFWSA-N -1 0 359.452 -0.243 20 0 FBADRM CCC(CC)[C@@H](C(=O)[N-]S(=O)(=O)c1cnnn1C)N1CCOCC1 ZINC000781727740 660845828 /nfs/dbraw/zinc/84/58/28/660845828.db2.gz DCHQWEAAPMXQEB-ZDUSSCGKSA-N -1 0 359.452 -0.243 20 0 FBADRM Cc1ccc(N2C[C@H](C(=O)[N-]S(=O)(=O)c3cnnn3C)CC2=O)cc1 ZINC000781727978 660845876 /nfs/dbraw/zinc/84/58/76/660845876.db2.gz FAZVRGOEVKXIDM-LLVKDONJSA-N -1 0 363.399 -0.018 20 0 FBADRM Cc1ccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)c3cnnn3C)CC2=O)cc1 ZINC000781727979 660845739 /nfs/dbraw/zinc/84/57/39/660845739.db2.gz FAZVRGOEVKXIDM-NSHDSACASA-N -1 0 363.399 -0.018 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000781727980 660845850 /nfs/dbraw/zinc/84/58/50/660845850.db2.gz FBFGPGLCFFPVKL-LLVKDONJSA-N -1 0 367.362 -0.188 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000781728004 660845884 /nfs/dbraw/zinc/84/58/84/660845884.db2.gz FBFGPGLCFFPVKL-NSHDSACASA-N -1 0 367.362 -0.188 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781728086 660845751 /nfs/dbraw/zinc/84/57/51/660845751.db2.gz FJMPGEKZRIYDOC-UHFFFAOYSA-N -1 0 358.401 -0.354 20 0 FBADRM COc1ccc2c(c1)C[C@H](C(=O)[N-]S(=O)(=O)c1cnnn1C)CO2 ZINC000781728186 660845812 /nfs/dbraw/zinc/84/58/12/660845812.db2.gz FZELXURUXMDUQI-JTQLQIEISA-N -1 0 352.372 -0.120 20 0 FBADRM COc1ccc2c(c1)C[C@@H](C(=O)[N-]S(=O)(=O)c1cnnn1C)CO2 ZINC000781728190 660845889 /nfs/dbraw/zinc/84/58/89/660845889.db2.gz FZELXURUXMDUQI-SNVBAGLBSA-N -1 0 352.372 -0.120 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccccc1 ZINC000781728426 660845825 /nfs/dbraw/zinc/84/58/25/660845825.db2.gz HSXLQQOHSOVLGP-UHFFFAOYSA-N -1 0 351.388 -0.631 20 0 FBADRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1cnnn1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000781728471 660845881 /nfs/dbraw/zinc/84/58/81/660845881.db2.gz IAAWFVBSBYBKGC-LOWVWBTDSA-N -1 0 359.452 -0.246 20 0 FBADRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1cnnn1C)N1C[C@@H](C)O[C@H](C)C1 ZINC000781728472 660845861 /nfs/dbraw/zinc/84/58/61/660845861.db2.gz IAAWFVBSBYBKGC-NQBHXWOUSA-N -1 0 359.452 -0.246 20 0 FBADRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1cnnn1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000781728473 660845776 /nfs/dbraw/zinc/84/57/76/660845776.db2.gz IAAWFVBSBYBKGC-NTZNESFSSA-N -1 0 359.452 -0.246 20 0 FBADRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1cnnn1C)N1C[C@@H](C)O[C@H](C)C1 ZINC000781728474 660845800 /nfs/dbraw/zinc/84/58/00/660845800.db2.gz IAAWFVBSBYBKGC-WZRBSPASSA-N -1 0 359.452 -0.246 20 0 FBADRM CCn1nc(C(=O)[N-]S(=O)(=O)c2cnnn2C)c(=O)c2ccccc21 ZINC000781728682 660845902 /nfs/dbraw/zinc/84/59/02/660845902.db2.gz IKKZURMJCNLQGV-UHFFFAOYSA-N -1 0 362.371 -0.336 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CCN1C(=O)CCc2ccccc21 ZINC000781728915 660845836 /nfs/dbraw/zinc/84/58/36/660845836.db2.gz JRXOOQISFPZAFS-UHFFFAOYSA-N -1 0 363.399 -0.011 20 0 FBADRM COc1ccc(C(=O)[N-]S(=O)(=O)c2cnnn2C)c(OC)c1OC ZINC000781728957 660845845 /nfs/dbraw/zinc/84/58/45/660845845.db2.gz KCYXOLXRLCGYCS-UHFFFAOYSA-N -1 0 356.360 -0.040 20 0 FBADRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cnnn2C)cc1S(C)(=O)=O ZINC000781729049 660845771 /nfs/dbraw/zinc/84/57/71/660845771.db2.gz LMPDADCDWYSEEM-UHFFFAOYSA-N -1 0 358.401 -0.354 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC000781729275 660845733 /nfs/dbraw/zinc/84/57/33/660845733.db2.gz NFIFCPALYRDUOE-MRVPVSSYSA-N -1 0 361.449 -0.432 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000781729277 660845913 /nfs/dbraw/zinc/84/59/13/660845913.db2.gz NFIFCPALYRDUOE-QMMMGPOBSA-N -1 0 361.449 -0.432 20 0 FBADRM O=C(CCC(=O)N1CCOCC1)[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000781729792 660845857 /nfs/dbraw/zinc/84/58/57/660845857.db2.gz RGLLSEZTMKDOGI-UHFFFAOYSA-N -1 0 370.431 -0.263 20 0 FBADRM CN(C)C(=O)COc1ccccc1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781729859 660845808 /nfs/dbraw/zinc/84/58/08/660845808.db2.gz SKTWZUCDYFTTEC-UHFFFAOYSA-N -1 0 367.387 -0.599 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cnn(CC3CC3)c2)c(=O)[nH]c1=O ZINC000781730228 660845744 /nfs/dbraw/zinc/84/57/44/660845744.db2.gz YCNCVMMPLINVBF-UHFFFAOYSA-N -1 0 353.360 -0.789 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000781730258 660845817 /nfs/dbraw/zinc/84/58/17/660845817.db2.gz XATLMJOCWQZKEZ-UHFFFAOYSA-N -1 0 353.385 -0.022 20 0 FBADRM Cn1cc(-c2ncc(C(=O)[N-]S(=O)(=O)c3cnnn3C)s2)cn1 ZINC000781730538 660845896 /nfs/dbraw/zinc/84/58/96/660845896.db2.gz ZDLLOFDNDCNXLR-UHFFFAOYSA-N -1 0 353.389 -0.209 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CCn1c2ccccc2n(C)c1=O ZINC000781731409 660846049 /nfs/dbraw/zinc/84/60/49/660846049.db2.gz DHIWQBSNXJNAAA-UHFFFAOYSA-N -1 0 364.387 -0.636 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CCCNC(=O)c1ccsc1 ZINC000781731427 660846079 /nfs/dbraw/zinc/84/60/79/660846079.db2.gz DUMUZVGOWYQKSV-UHFFFAOYSA-N -1 0 357.417 -0.108 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000781731428 660846022 /nfs/dbraw/zinc/84/60/22/660846022.db2.gz DVOIAKUTGFRQHR-SECBINFHSA-N -1 0 353.335 -0.115 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000781731429 660846137 /nfs/dbraw/zinc/84/61/37/660846137.db2.gz DVOIAKUTGFRQHR-VIFPVBQESA-N -1 0 353.335 -0.115 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CNC(=O)Cc1cccc(F)c1 ZINC000781731712 660846133 /nfs/dbraw/zinc/84/61/33/660846133.db2.gz HPHUUTHEPJDHCO-UHFFFAOYSA-N -1 0 355.351 -0.882 20 0 FBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cnn(CC2CC2)c1)C(C)C ZINC000781731853 660846055 /nfs/dbraw/zinc/84/60/55/660846055.db2.gz APKPAZGPNHOFRZ-AWEZNQCLSA-N -1 0 372.447 -0.115 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000781732133 660846038 /nfs/dbraw/zinc/84/60/38/660846038.db2.gz KOUOIDZQHHMDSO-LLVKDONJSA-N -1 0 370.435 -0.452 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000781732137 660846001 /nfs/dbraw/zinc/84/60/01/660846001.db2.gz KOUOIDZQHHMDSO-NSHDSACASA-N -1 0 370.435 -0.452 20 0 FBADRM CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781732766 660846086 /nfs/dbraw/zinc/84/60/86/660846086.db2.gz SQCCMIVJWWGROW-BSKOKIOFSA-N -1 0 373.460 -0.122 20 0 FBADRM CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781732767 660845999 /nfs/dbraw/zinc/84/59/99/660845999.db2.gz SQCCMIVJWWGROW-CYNRKNSPSA-N -1 0 373.460 -0.122 20 0 FBADRM CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781732768 660846122 /nfs/dbraw/zinc/84/61/22/660846122.db2.gz SQCCMIVJWWGROW-HYHWUIIZSA-N -1 0 373.460 -0.122 20 0 FBADRM CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781732769 660846059 /nfs/dbraw/zinc/84/60/59/660846059.db2.gz SQCCMIVJWWGROW-NAZIUFLLSA-N -1 0 373.460 -0.122 20 0 FBADRM Cc1cc(S(C)(=O)=O)cc(C(=O)[N-]S(=O)(=O)c2cnnn2C)c1C ZINC000781732779 660845994 /nfs/dbraw/zinc/84/59/94/660845994.db2.gz TUFICLBWIRKXLA-UHFFFAOYSA-N -1 0 372.428 -0.046 20 0 FBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000781732881 660845992 /nfs/dbraw/zinc/84/59/92/660845992.db2.gz LRJUDKRXHAQYMN-UHFFFAOYSA-N -1 0 362.433 -0.867 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(F)cc1 ZINC000781732935 660846091 /nfs/dbraw/zinc/84/60/91/660846091.db2.gz VJCAYQMPMNZHLM-UHFFFAOYSA-N -1 0 355.351 -0.421 20 0 FBADRM Cc1cc(F)ccc1-n1cc(C(=O)[N-]S(=O)(=O)c2cnnn2C)nn1 ZINC000781732995 660845997 /nfs/dbraw/zinc/84/59/97/660845997.db2.gz WIFNBSRJFUIQLH-UHFFFAOYSA-N -1 0 365.350 -0.038 20 0 FBADRM Cc1ccccc1[C@@H](CC(=O)[N-]S(=O)(=O)c1cnnn1C)NC(N)=O ZINC000781733094 660846123 /nfs/dbraw/zinc/84/61/23/660846123.db2.gz YNYOAJJPXHUSBQ-LLVKDONJSA-N -1 0 366.403 -0.272 20 0 FBADRM Cc1ccccc1[C@H](CC(=O)[N-]S(=O)(=O)c1cnnn1C)NC(N)=O ZINC000781733095 660846061 /nfs/dbraw/zinc/84/60/61/660846061.db2.gz YNYOAJJPXHUSBQ-NSHDSACASA-N -1 0 366.403 -0.272 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000781733106 660846070 /nfs/dbraw/zinc/84/60/70/660846070.db2.gz YTGGNCACIIPUTK-JTQLQIEISA-N -1 0 373.460 -0.288 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000781733107 660846112 /nfs/dbraw/zinc/84/61/12/660846112.db2.gz YTGGNCACIIPUTK-SNVBAGLBSA-N -1 0 373.460 -0.288 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cccc(N2CCOC2=O)c1 ZINC000781733124 660846008 /nfs/dbraw/zinc/84/60/08/660846008.db2.gz ZLRWAVSCVSHKNV-UHFFFAOYSA-N -1 0 351.344 -0.110 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CCN1C(=O)COc2ccccc21 ZINC000781733536 660846065 /nfs/dbraw/zinc/84/60/65/660846065.db2.gz AEILSGIVGATRJG-UHFFFAOYSA-N -1 0 365.371 -0.564 20 0 FBADRM CCc1ccc(C(=O)[N-]S(=O)(=O)c2cnnn2C)cc1S(C)(=O)=O ZINC000781733568 660846082 /nfs/dbraw/zinc/84/60/82/660846082.db2.gz BIWJUEHCINDSFD-UHFFFAOYSA-N -1 0 372.428 -0.100 20 0 FBADRM Cc1c(CC(=O)[N-]S(=O)(=O)c2cnnn2C)nnn1-c1ccccc1 ZINC000781733577 660845995 /nfs/dbraw/zinc/84/59/95/660845995.db2.gz BUIZFRNITGHEEN-UHFFFAOYSA-N -1 0 361.387 -0.248 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)cc1 ZINC000781733612 660846126 /nfs/dbraw/zinc/84/61/26/660846126.db2.gz DIDREABKWITUNB-UHFFFAOYSA-N -1 0 351.388 -0.230 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CCCNC(=O)c1ccccc1 ZINC000781733619 660846018 /nfs/dbraw/zinc/84/60/18/660846018.db2.gz DKEOHFMCRXBOFS-UHFFFAOYSA-N -1 0 351.388 -0.170 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000781733935 660846094 /nfs/dbraw/zinc/84/60/94/660846094.db2.gz FEWDQRVHRWHEAO-JTQLQIEISA-N -1 0 367.387 -0.092 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000781733936 660846129 /nfs/dbraw/zinc/84/61/29/660846129.db2.gz FEWDQRVHRWHEAO-SNVBAGLBSA-N -1 0 367.387 -0.092 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CCN2C ZINC000781734090 660846109 /nfs/dbraw/zinc/84/61/09/660846109.db2.gz HFMNFGQZCWOZHX-UHFFFAOYSA-N -1 0 364.387 -0.288 20 0 FBADRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cnnn2C)ccc1N1CCNC1=O ZINC000781734122 660846116 /nfs/dbraw/zinc/84/61/16/660846116.db2.gz HQVBPSBTRKREBX-UHFFFAOYSA-N -1 0 364.387 -0.228 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000781734530 660846105 /nfs/dbraw/zinc/84/61/05/660846105.db2.gz MACAHEVIORJWKT-UHFFFAOYSA-N -1 0 350.360 -0.537 20 0 FBADRM COC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)c2cnnn2C)cc1 ZINC000781734551 660846073 /nfs/dbraw/zinc/84/60/73/660846073.db2.gz MOPMQMHHKCJBLG-UHFFFAOYSA-N -1 0 354.344 -0.514 20 0 FBADRM COC(=O)COc1cccc(C(=O)[N-]S(=O)(=O)c2cnnn2C)c1 ZINC000781735201 660846042 /nfs/dbraw/zinc/84/60/42/660846042.db2.gz QFLFYWNOALZSJC-UHFFFAOYSA-N -1 0 354.344 -0.514 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000781735399 660846311 /nfs/dbraw/zinc/84/63/11/660846311.db2.gz RQQFAQMJYNDQQQ-UHFFFAOYSA-N -1 0 351.323 -0.346 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cnnn2C)c1 ZINC000781735950 660846362 /nfs/dbraw/zinc/84/63/62/660846362.db2.gz BARMNRRNSLIQGP-UHFFFAOYSA-N -1 0 373.416 -0.816 20 0 FBADRM CCOC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnnn2C)nc1C ZINC000781735962 660846373 /nfs/dbraw/zinc/84/63/73/660846373.db2.gz BBKSSEATNDHQCY-UHFFFAOYSA-N -1 0 353.360 -0.186 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccc(N2CCOC2=O)cc1 ZINC000781736021 660846319 /nfs/dbraw/zinc/84/63/19/660846319.db2.gz VLAYGSUWVRRFDJ-UHFFFAOYSA-N -1 0 351.344 -0.110 20 0 FBADRM CNC(=O)c1cncc(/C=C\C(=O)[N-]S(=O)(=O)c2cnnn2C)c1 ZINC000781736066 660846360 /nfs/dbraw/zinc/84/63/60/660846360.db2.gz DLALGYMSYBQGBF-ARJAWSKDSA-N -1 0 350.360 -0.912 20 0 FBADRM CNC(=O)c1cncc(/C=C/C(=O)[N-]S(=O)(=O)c2cnnn2C)c1 ZINC000781736067 660846260 /nfs/dbraw/zinc/84/62/60/660846260.db2.gz DLALGYMSYBQGBF-ONEGZZNKSA-N -1 0 350.360 -0.912 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000781736245 660846295 /nfs/dbraw/zinc/84/62/95/660846295.db2.gz VOWKCTMKHYLZCA-GFCCVEGCSA-N -1 0 363.399 -0.331 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000781736246 660846327 /nfs/dbraw/zinc/84/63/27/660846327.db2.gz VOWKCTMKHYLZCA-LBPRGKRZSA-N -1 0 363.399 -0.331 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccnc(N2CCCCC2)n1 ZINC000781736511 660846335 /nfs/dbraw/zinc/84/63/35/660846335.db2.gz XTHKGINZWLPWHQ-UHFFFAOYSA-N -1 0 351.392 -0.286 20 0 FBADRM C[C@H]1Oc2ccccc2N(CC(=O)[N-]S(=O)(=O)c2cnnn2C)C1=O ZINC000781736652 660846367 /nfs/dbraw/zinc/84/63/67/660846367.db2.gz YIVKGBHOWLWDLT-SECBINFHSA-N -1 0 365.371 -0.566 20 0 FBADRM C[C@@H]1Oc2ccccc2N(CC(=O)[N-]S(=O)(=O)c2cnnn2C)C1=O ZINC000781736653 660846265 /nfs/dbraw/zinc/84/62/65/660846265.db2.gz YIVKGBHOWLWDLT-VIFPVBQESA-N -1 0 365.371 -0.566 20 0 FBADRM Cc1cccc([C@@H](CC(=O)[N-]S(=O)(=O)c2cnnn2C)NC(N)=O)c1 ZINC000781736664 660846379 /nfs/dbraw/zinc/84/63/79/660846379.db2.gz ZFXNGRMKJQXPMB-LLVKDONJSA-N -1 0 366.403 -0.272 20 0 FBADRM Cc1cccc([C@H](CC(=O)[N-]S(=O)(=O)c2cnnn2C)NC(N)=O)c1 ZINC000781736665 660846340 /nfs/dbraw/zinc/84/63/40/660846340.db2.gz ZFXNGRMKJQXPMB-NSHDSACASA-N -1 0 366.403 -0.272 20 0 FBADRM CCc1ccc(S(C)(=O)=O)cc1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781736677 660846384 /nfs/dbraw/zinc/84/63/84/660846384.db2.gz DRNIQQPHOMADEZ-UHFFFAOYSA-N -1 0 372.428 -0.100 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000781736702 660846284 /nfs/dbraw/zinc/84/62/84/660846284.db2.gz GIBSLVSQVKWWPQ-UHFFFAOYSA-N -1 0 355.380 -0.860 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CN1C(=O)CSc2ccccc21 ZINC000781736741 660846349 /nfs/dbraw/zinc/84/63/49/660846349.db2.gz ZRRFVBOGUBEZEH-UHFFFAOYSA-N -1 0 367.412 -0.241 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)c2cnnn2C)cc2c1OCCO2 ZINC000781736853 660846390 /nfs/dbraw/zinc/84/63/90/660846390.db2.gz CHHVJKAWVYLSFQ-UHFFFAOYSA-N -1 0 354.344 -0.286 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CSCC(=O)OC(C)(C)C ZINC000781737210 660846324 /nfs/dbraw/zinc/84/63/24/660846324.db2.gz KEHYWCLZPSRXPC-UHFFFAOYSA-N -1 0 350.422 -0.305 20 0 FBADRM CCS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnnn2C)cc1 ZINC000781737232 660846316 /nfs/dbraw/zinc/84/63/16/660846316.db2.gz KRZRBGVHYQYJGU-UHFFFAOYSA-N -1 0 358.401 -0.273 20 0 FBADRM Cc1cnn(-c2c(C(=O)[N-]S(=O)(=O)c3cnnn3C)c(C)nn2C)c1 ZINC000781737237 660846393 /nfs/dbraw/zinc/84/63/93/660846393.db2.gz LBTJDEMKGFWPEK-UHFFFAOYSA-N -1 0 364.391 -0.530 20 0 FBADRM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781737293 660846313 /nfs/dbraw/zinc/84/63/13/660846313.db2.gz MVZHBYHAUAGABQ-GFCCVEGCSA-N -1 0 366.403 -0.530 20 0 FBADRM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781737294 660846274 /nfs/dbraw/zinc/84/62/74/660846274.db2.gz MVZHBYHAUAGABQ-LBPRGKRZSA-N -1 0 366.403 -0.530 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000781737300 660846278 /nfs/dbraw/zinc/84/62/78/660846278.db2.gz FIPKXQIHNOQOSK-MRVPVSSYSA-N -1 0 355.342 -0.106 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000781737301 660846369 /nfs/dbraw/zinc/84/63/69/660846369.db2.gz FIPKXQIHNOQOSK-QMMMGPOBSA-N -1 0 355.342 -0.106 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CCCNC(=O)c1ccc(F)cc1 ZINC000781737326 660846307 /nfs/dbraw/zinc/84/63/07/660846307.db2.gz GKOPVKMZDCSXFM-UHFFFAOYSA-N -1 0 369.378 -0.031 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000781737414 660846351 /nfs/dbraw/zinc/84/63/51/660846351.db2.gz HTFHXQSUSSICKT-GFCCVEGCSA-N -1 0 363.399 -0.075 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000781737420 660846291 /nfs/dbraw/zinc/84/62/91/660846291.db2.gz HTFHXQSUSSICKT-LBPRGKRZSA-N -1 0 363.399 -0.075 20 0 FBADRM Cc1sc2ncc(C(=O)[N-]S(=O)(=O)c3cnnn3C)c(=O)n2c1C ZINC000781737682 660846298 /nfs/dbraw/zinc/84/62/98/660846298.db2.gz OJBGHYXFEVYARW-UHFFFAOYSA-N -1 0 368.400 -0.380 20 0 FBADRM CCOC(=O)c1cnc(C)c(C(=O)[N-]S(=O)(=O)c2cnnn2C)c1 ZINC000781737755 660846356 /nfs/dbraw/zinc/84/63/56/660846356.db2.gz POMWCDFRBRFBGF-UHFFFAOYSA-N -1 0 353.360 -0.186 20 0 FBADRM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cnnn2C)C1 ZINC000781738014 660846387 /nfs/dbraw/zinc/84/63/87/660846387.db2.gz LAEYLQUKWNLRDI-GHMZBOCLSA-N -1 0 357.436 -0.095 20 0 FBADRM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cnnn2C)C1 ZINC000781738028 660846354 /nfs/dbraw/zinc/84/63/54/660846354.db2.gz LAEYLQUKWNLRDI-MNOVXSKESA-N -1 0 357.436 -0.095 20 0 FBADRM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cnnn2C)C1 ZINC000781738029 660846281 /nfs/dbraw/zinc/84/62/81/660846281.db2.gz LAEYLQUKWNLRDI-QWRGUYRKSA-N -1 0 357.436 -0.095 20 0 FBADRM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cnnn2C)C1 ZINC000781738030 660846271 /nfs/dbraw/zinc/84/62/71/660846271.db2.gz LAEYLQUKWNLRDI-WDEREUQCSA-N -1 0 357.436 -0.095 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000781738097 660846343 /nfs/dbraw/zinc/84/63/43/660846343.db2.gz MUDMYTIJOVBCBN-JTQLQIEISA-N -1 0 355.420 -0.199 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000781738100 660846381 /nfs/dbraw/zinc/84/63/81/660846381.db2.gz MUDMYTIJOVBCBN-SNVBAGLBSA-N -1 0 355.420 -0.199 20 0 FBADRM CCCCC(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781738111 660846302 /nfs/dbraw/zinc/84/63/02/660846302.db2.gz RCAFNHXDRGGVDM-SECBINFHSA-N -1 0 361.449 -0.288 20 0 FBADRM CCCCC(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781738112 660846332 /nfs/dbraw/zinc/84/63/32/660846332.db2.gz RCAFNHXDRGGVDM-VIFPVBQESA-N -1 0 361.449 -0.288 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cncc(N2CCOCC2)c1 ZINC000781738128 660846345 /nfs/dbraw/zinc/84/63/45/660846345.db2.gz RVDRRQMKDYTAAG-UHFFFAOYSA-N -1 0 352.376 -0.835 20 0 FBADRM Cc1cccc2c(=O)n(CC(=O)[N-]S(=O)(=O)c3cnnn3C)cnc12 ZINC000781738238 660846577 /nfs/dbraw/zinc/84/65/77/660846577.db2.gz TZOLBMYMRXDKMM-UHFFFAOYSA-N -1 0 362.371 -0.661 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CSc1nnnn1C1CCCC1 ZINC000781738402 660846602 /nfs/dbraw/zinc/84/66/02/660846602.db2.gz NOBAJUZEKGBGHE-UHFFFAOYSA-N -1 0 372.436 -0.486 20 0 FBADRM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781738474 660846523 /nfs/dbraw/zinc/84/65/23/660846523.db2.gz PQCIVGLVPKDOSB-BDAKNGLRSA-N -1 0 361.449 -0.432 20 0 FBADRM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781738475 660846599 /nfs/dbraw/zinc/84/65/99/660846599.db2.gz PQCIVGLVPKDOSB-DTWKUNHWSA-N -1 0 361.449 -0.432 20 0 FBADRM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781738476 660846545 /nfs/dbraw/zinc/84/65/45/660846545.db2.gz PQCIVGLVPKDOSB-IUCAKERBSA-N -1 0 361.449 -0.432 20 0 FBADRM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781738477 660846473 /nfs/dbraw/zinc/84/64/73/660846473.db2.gz PQCIVGLVPKDOSB-RKDXNWHRSA-N -1 0 361.449 -0.432 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000781738849 660846487 /nfs/dbraw/zinc/84/64/87/660846487.db2.gz YKPVYEKFXFMDQD-UHFFFAOYSA-N -1 0 368.350 -0.398 20 0 FBADRM COc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)c2cnnn2C)cc1 ZINC000781738951 660846586 /nfs/dbraw/zinc/84/65/86/660846586.db2.gz WLHZJJMYVLWUTF-UHFFFAOYSA-N -1 0 353.360 -0.941 20 0 FBADRM Cc1nc2ccnn2c(C)c1CCC(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781739095 660846507 /nfs/dbraw/zinc/84/65/07/660846507.db2.gz XTILHOAYTJMJTD-UHFFFAOYSA-N -1 0 363.403 -0.088 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnnn2C)cc1 ZINC000781739155 660846568 /nfs/dbraw/zinc/84/65/68/660846568.db2.gz ZZYOEBPWMRSPIA-UHFFFAOYSA-N -1 0 373.416 -0.816 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1csc(-c2cnccn2)n1 ZINC000781739401 660846541 /nfs/dbraw/zinc/84/65/41/660846541.db2.gz CLDXPZXLZPMARR-UHFFFAOYSA-N -1 0 351.373 -0.153 20 0 FBADRM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781739406 660846594 /nfs/dbraw/zinc/84/65/94/660846594.db2.gz CQKBCKSCFMNSNU-CYBMUJFWSA-N -1 0 363.399 -0.407 20 0 FBADRM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781739407 660846446 /nfs/dbraw/zinc/84/64/46/660846446.db2.gz CQKBCKSCFMNSNU-ZDUSSCGKSA-N -1 0 363.399 -0.407 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000781739622 660846464 /nfs/dbraw/zinc/84/64/64/660846464.db2.gz FPCQERBBALMVKV-SECBINFHSA-N -1 0 353.360 -0.738 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000781739626 660846515 /nfs/dbraw/zinc/84/65/15/660846515.db2.gz FPCQERBBALMVKV-VIFPVBQESA-N -1 0 353.360 -0.738 20 0 FBADRM CC(=O)N(CCc1ccccc1)CC(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781739730 660846535 /nfs/dbraw/zinc/84/65/35/660846535.db2.gz JGPMTXLSQRPOQZ-UHFFFAOYSA-N -1 0 365.415 -0.289 20 0 FBADRM CCn1c2ccccc2n(CC(=O)[N-]S(=O)(=O)c2cnnn2C)c1=O ZINC000781740032 660846498 /nfs/dbraw/zinc/84/64/98/660846498.db2.gz LEFTUQFGVDIJRV-UHFFFAOYSA-N -1 0 364.387 -0.544 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000781740452 660846571 /nfs/dbraw/zinc/84/65/71/660846571.db2.gz PDCQZCILAKGTKN-AOOOYVTPSA-N -1 0 369.403 -0.815 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000781740453 660846450 /nfs/dbraw/zinc/84/64/50/660846450.db2.gz PDCQZCILAKGTKN-NXEZZACHSA-N -1 0 369.403 -0.815 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000781740455 660846559 /nfs/dbraw/zinc/84/65/59/660846559.db2.gz PDCQZCILAKGTKN-UWVGGRQHSA-N -1 0 369.403 -0.815 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000781740495 660846500 /nfs/dbraw/zinc/84/65/00/660846500.db2.gz PUGAJFGPHLUDRU-UHFFFAOYSA-N -1 0 365.371 -0.416 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)c1cnnn1C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000781740553 660846477 /nfs/dbraw/zinc/84/64/77/660846477.db2.gz BUJPEMXHSNTXSB-BBBLOLIVSA-N -1 0 369.403 -0.816 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cnnn1C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000781740558 660846555 /nfs/dbraw/zinc/84/65/55/660846555.db2.gz BUJPEMXHSNTXSB-LPEHRKFASA-N -1 0 369.403 -0.816 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)c1cnnn1C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000781740559 660846483 /nfs/dbraw/zinc/84/64/83/660846483.db2.gz BUJPEMXHSNTXSB-OPRDCNLKSA-N -1 0 369.403 -0.816 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)c1cnnn1C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000781740560 660846562 /nfs/dbraw/zinc/84/65/62/660846562.db2.gz BUJPEMXHSNTXSB-UTLUCORTSA-N -1 0 369.403 -0.816 20 0 FBADRM COc1ccc2c(c1)OC[C@@H](C(=O)[N-]S(=O)(=O)c1cnnn1C)C2 ZINC000781740578 660846494 /nfs/dbraw/zinc/84/64/94/660846494.db2.gz CLTZYWWOWDFGNZ-JTQLQIEISA-N -1 0 352.372 -0.120 20 0 FBADRM COc1ccc2c(c1)OC[C@H](C(=O)[N-]S(=O)(=O)c1cnnn1C)C2 ZINC000781740580 660846608 /nfs/dbraw/zinc/84/66/08/660846608.db2.gz CLTZYWWOWDFGNZ-SNVBAGLBSA-N -1 0 352.372 -0.120 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)COc1ccc2ccc(=O)oc2c1 ZINC000781740586 660846528 /nfs/dbraw/zinc/84/65/28/660846528.db2.gz QMZOJZCJSCUZGQ-UHFFFAOYSA-N -1 0 364.339 -0.195 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)c1cnnn1C)n1nnc(-c2ccccc2)n1 ZINC000781740620 660846467 /nfs/dbraw/zinc/84/64/67/660846467.db2.gz DHIKARAVMXIZNX-SECBINFHSA-N -1 0 362.375 -0.465 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000781740621 660846581 /nfs/dbraw/zinc/84/65/81/660846581.db2.gz QSSAUMAUDGLXAO-UHFFFAOYSA-N -1 0 363.355 -0.694 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cnnn1C)n1nnc(-c2ccccc2)n1 ZINC000781740624 660846519 /nfs/dbraw/zinc/84/65/19/660846519.db2.gz DHIKARAVMXIZNX-VIFPVBQESA-N -1 0 362.375 -0.465 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000781740641 660846597 /nfs/dbraw/zinc/84/65/97/660846597.db2.gz DUBMBXCMNNTUDN-UHFFFAOYSA-N -1 0 365.350 -0.287 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000781740666 660846509 /nfs/dbraw/zinc/84/65/09/660846509.db2.gz FAUMCTJUJCBFAS-UHFFFAOYSA-N -1 0 369.378 -0.091 20 0 FBADRM Cn1cc(-c2nc(C(=O)[N-]S(=O)(=O)c3cnnn3C)cs2)cn1 ZINC000781740869 660846532 /nfs/dbraw/zinc/84/65/32/660846532.db2.gz CIBYXLJHJOTHCD-UHFFFAOYSA-N -1 0 353.389 -0.209 20 0 FBADRM Cc1ccc2c(c1)C(=O)N(CC(=O)[N-]S(=O)(=O)c1cnnn1C)C2=O ZINC000781740926 660846504 /nfs/dbraw/zinc/84/65/04/660846504.db2.gz DPSXBUFRUHDQFH-UHFFFAOYSA-N -1 0 363.355 -0.775 20 0 FBADRM Cc1nc(C(=O)[N-]S(=O)(=O)c2cnnn2C)nn1-c1ccc(F)cc1 ZINC000781740973 660846829 /nfs/dbraw/zinc/84/68/29/660846829.db2.gz FPSZWNNNJGBESZ-UHFFFAOYSA-N -1 0 365.350 -0.038 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000781740978 660846728 /nfs/dbraw/zinc/84/67/28/660846728.db2.gz FTFWGYIDCIGUAZ-LURJTMIESA-N -1 0 355.298 -0.969 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000781740981 660846804 /nfs/dbraw/zinc/84/68/04/660846804.db2.gz FTFWGYIDCIGUAZ-ZCFIWIBFSA-N -1 0 355.298 -0.969 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CN1C(=O)COc2ccccc21 ZINC000781741032 660846807 /nfs/dbraw/zinc/84/68/07/660846807.db2.gz GKESMXPTGNQGCT-UHFFFAOYSA-N -1 0 351.344 -0.954 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000781741063 660846820 /nfs/dbraw/zinc/84/68/20/660846820.db2.gz GVKXZONFMSDKQQ-UHFFFAOYSA-N -1 0 362.371 -0.626 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)c2cnnn2C)cc(OC)c1OC ZINC000781741076 660846758 /nfs/dbraw/zinc/84/67/58/660846758.db2.gz HHBIYBYQSDWOBB-UHFFFAOYSA-N -1 0 356.360 -0.040 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000781741418 660846842 /nfs/dbraw/zinc/84/68/42/660846842.db2.gz IULGHLXJUODCPQ-SECBINFHSA-N -1 0 367.362 -0.188 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000781741420 660846837 /nfs/dbraw/zinc/84/68/37/660846837.db2.gz IULGHLXJUODCPQ-VIFPVBQESA-N -1 0 367.362 -0.188 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CCn1cnc2ccccc2c1=O ZINC000781741435 660846775 /nfs/dbraw/zinc/84/67/75/660846775.db2.gz IXZGMIUMYUTBQT-UHFFFAOYSA-N -1 0 362.371 -0.580 20 0 FBADRM CC(C)CNC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cnnn2C)C1 ZINC000781741618 660846813 /nfs/dbraw/zinc/84/68/13/660846813.db2.gz VALNYHSQEKDQBW-LLVKDONJSA-N -1 0 372.451 -0.302 20 0 FBADRM CCn1cc(-c2nn(C)cc2C(=O)[N-]S(=O)(=O)c2cnnn2C)cn1 ZINC000781741644 660846833 /nfs/dbraw/zinc/84/68/33/660846833.db2.gz MENVYRCPHUMLSI-UHFFFAOYSA-N -1 0 364.391 -0.449 20 0 FBADRM CC(C)CNC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cnnn2C)C1 ZINC000781741657 660846827 /nfs/dbraw/zinc/84/68/27/660846827.db2.gz VALNYHSQEKDQBW-NSHDSACASA-N -1 0 372.451 -0.302 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@]1(C)Cc2ccccc2C(=O)O1 ZINC000781741661 660846844 /nfs/dbraw/zinc/84/68/44/660846844.db2.gz VGOZTEYESDXHLB-AWEZNQCLSA-N -1 0 350.356 -0.208 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 ZINC000781741667 660846779 /nfs/dbraw/zinc/84/67/79/660846779.db2.gz VGOZTEYESDXHLB-CQSZACIVSA-N -1 0 350.356 -0.208 20 0 FBADRM COCCCOc1ccc(C(=O)[N-]S(=O)(=O)c2cnnn2C)cn1 ZINC000781741929 660846767 /nfs/dbraw/zinc/84/67/67/660846767.db2.gz LBPFMISTCWQHSW-UHFFFAOYSA-N -1 0 355.376 -0.256 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000781741950 660846770 /nfs/dbraw/zinc/84/67/70/660846770.db2.gz PCICWHFEQZUMGX-UHFFFAOYSA-N -1 0 368.766 -0.437 20 0 FBADRM CC(=O)N[C@H](CC(=O)[N-]S(=O)(=O)c1cnnn1C)c1ccccc1 ZINC000781741959 660846721 /nfs/dbraw/zinc/84/67/21/660846721.db2.gz PQEPCDHELJXMOW-GFCCVEGCSA-N -1 0 351.388 -0.113 20 0 FBADRM CC(=O)N[C@@H](CC(=O)[N-]S(=O)(=O)c1cnnn1C)c1ccccc1 ZINC000781741960 660846831 /nfs/dbraw/zinc/84/68/31/660846831.db2.gz PQEPCDHELJXMOW-LBPRGKRZSA-N -1 0 351.388 -0.113 20 0 FBADRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1cnnn1C)NC(=O)c1ccccc1 ZINC000781742221 660846836 /nfs/dbraw/zinc/84/68/36/660846836.db2.gz MPFGQDPEWSFVEE-JTQLQIEISA-N -1 0 351.388 -0.171 20 0 FBADRM C[C@H](CC(=O)[N-]S(=O)(=O)c1cnnn1C)NC(=O)c1ccccc1 ZINC000781742223 660846751 /nfs/dbraw/zinc/84/67/51/660846751.db2.gz MPFGQDPEWSFVEE-SNVBAGLBSA-N -1 0 351.388 -0.171 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)COCCNC(=O)OC(C)(C)C ZINC000781742287 660846849 /nfs/dbraw/zinc/84/68/49/660846849.db2.gz ODSDIWYLCWXOPO-UHFFFAOYSA-N -1 0 363.396 -0.839 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000781742302 660846732 /nfs/dbraw/zinc/84/67/32/660846732.db2.gz OMAMJXJLGYULJE-JTQLQIEISA-N -1 0 353.360 -0.504 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000781742306 660846794 /nfs/dbraw/zinc/84/67/94/660846794.db2.gz OMAMJXJLGYULJE-SNVBAGLBSA-N -1 0 353.360 -0.504 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)COCCNC(=O)c1ccccc1 ZINC000781742328 660846834 /nfs/dbraw/zinc/84/68/34/660846834.db2.gz OTJPEJMAQHMEDW-UHFFFAOYSA-N -1 0 367.387 -0.933 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000781742345 660846847 /nfs/dbraw/zinc/84/68/47/660846847.db2.gz PBRHGTCRAFENRF-JTQLQIEISA-N -1 0 357.436 -0.095 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000781742347 660846741 /nfs/dbraw/zinc/84/67/41/660846741.db2.gz PBRHGTCRAFENRF-SNVBAGLBSA-N -1 0 357.436 -0.095 20 0 FBADRM CCS(=O)(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cnnn2C)c1 ZINC000781742385 660846762 /nfs/dbraw/zinc/84/67/62/660846762.db2.gz PSBADKZBJHVTIO-UHFFFAOYSA-N -1 0 358.401 -0.273 20 0 FBADRM COc1cc(OC)c(C(=O)[N-]S(=O)(=O)c2cnnn2C)cc1OC ZINC000781742395 660846798 /nfs/dbraw/zinc/84/67/98/660846798.db2.gz XTSWAIBKGCAFKH-UHFFFAOYSA-N -1 0 356.360 -0.040 20 0 FBADRM COc1c2cnn(C)c2ncc1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781742403 660846737 /nfs/dbraw/zinc/84/67/37/660846737.db2.gz XYNMPJKVPUEKGH-UHFFFAOYSA-N -1 0 351.348 -0.776 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1nc(N2CCCC2)ncc1Cl ZINC000781742420 660846852 /nfs/dbraw/zinc/84/68/52/660846852.db2.gz YGJGUCPKORKJAO-UHFFFAOYSA-N -1 0 371.810 -0.023 20 0 FBADRM Cc1ccc(CCC(=O)NCC(=O)[N-]S(=O)(=O)c2cnnn2C)cc1 ZINC000781742435 660846793 /nfs/dbraw/zinc/84/67/93/660846793.db2.gz YYBKEGVRLCRPNL-UHFFFAOYSA-N -1 0 365.415 -0.323 20 0 FBADRM C[C@@H]1C(=O)Nc2cc(C(=O)[N-]S(=O)(=O)c3cnnn3C)ccc2N1C ZINC000781742788 660846854 /nfs/dbraw/zinc/84/68/54/660846854.db2.gz YITYZUZYSJXZSN-MRVPVSSYSA-N -1 0 364.387 -0.289 20 0 FBADRM C[C@H]1C(=O)Nc2cc(C(=O)[N-]S(=O)(=O)c3cnnn3C)ccc2N1C ZINC000781742791 660846845 /nfs/dbraw/zinc/84/68/45/660846845.db2.gz YITYZUZYSJXZSN-QMMMGPOBSA-N -1 0 364.387 -0.289 20 0 FBADRM C[C@H]1Oc2c(cccc2C(=O)[N-]S(=O)(=O)c2cnnn2C)NC1=O ZINC000781742794 660846744 /nfs/dbraw/zinc/84/67/44/660846744.db2.gz YIYSWGWJYAZNQK-SSDOTTSWSA-N -1 0 351.344 -0.347 20 0 FBADRM C[C@@H]1Oc2c(cccc2C(=O)[N-]S(=O)(=O)c2cnnn2C)NC1=O ZINC000781742797 660846791 /nfs/dbraw/zinc/84/67/91/660846791.db2.gz YIYSWGWJYAZNQK-ZETCQYMHSA-N -1 0 351.344 -0.347 20 0 FBADRM COCCOc1cccc(CC(=O)[N-]S(=O)(=O)c2cnnn2C)c1 ZINC000781742805 660846725 /nfs/dbraw/zinc/84/67/25/660846725.db2.gz RYQHZBUIEAKZHH-UHFFFAOYSA-N -1 0 354.388 -0.112 20 0 FBADRM C[C@H](NC(=O)OCc1ccccc1)C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781743016 660846783 /nfs/dbraw/zinc/84/67/83/660846783.db2.gz VHBZITRDKIOSDU-JTQLQIEISA-N -1 0 367.387 -0.065 20 0 FBADRM C[C@@H](NC(=O)OCc1ccccc1)C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781743017 660846840 /nfs/dbraw/zinc/84/68/40/660846840.db2.gz VHBZITRDKIOSDU-SNVBAGLBSA-N -1 0 367.387 -0.065 20 0 FBADRM COc1ccc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)cc1-n1cnnn1 ZINC000781753845 660847053 /nfs/dbraw/zinc/84/70/53/660847053.db2.gz DCUHTJHRQGZGRY-UHFFFAOYSA-N -1 0 363.359 -0.477 20 0 FBADRM COc1ccc(C(=O)[N-]S(=O)(=O)N2CCCC2)cc1-n1cnnn1 ZINC000781786845 660847119 /nfs/dbraw/zinc/84/71/19/660847119.db2.gz SRPKWJRFIBEJIZ-UHFFFAOYSA-N -1 0 352.376 -0.259 20 0 FBADRM COc1ccc(C(=O)[N-]S(=O)(=O)N(C)C(C)C)cc1-n1cnnn1 ZINC000781801987 660847043 /nfs/dbraw/zinc/84/70/43/660847043.db2.gz NMLDIHGLLSBSHZ-UHFFFAOYSA-N -1 0 354.392 -0.014 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000781802977 660847020 /nfs/dbraw/zinc/84/70/20/660847020.db2.gz TVGWOCSEHGIZKC-UHFFFAOYSA-N -1 0 355.376 -0.233 20 0 FBADRM COc1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cc1-n1cnnn1 ZINC000781803326 660847075 /nfs/dbraw/zinc/84/70/75/660847075.db2.gz DNGSFCMOSFXXJR-JTQLQIEISA-N -1 0 353.360 -0.481 20 0 FBADRM COc1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cc1-n1cnnn1 ZINC000781803327 660847133 /nfs/dbraw/zinc/84/71/33/660847133.db2.gz DNGSFCMOSFXXJR-SNVBAGLBSA-N -1 0 353.360 -0.481 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000781803665 660847006 /nfs/dbraw/zinc/84/70/06/660847006.db2.gz NWOFUPMQNPUGFZ-SECBINFHSA-N -1 0 355.376 -0.235 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000781803666 660847072 /nfs/dbraw/zinc/84/70/72/660847072.db2.gz NWOFUPMQNPUGFZ-VIFPVBQESA-N -1 0 355.376 -0.235 20 0 FBADRM COc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccon2)cc1-n1cnnn1 ZINC000781816305 660847101 /nfs/dbraw/zinc/84/71/01/660847101.db2.gz SKNDVNLSTWLLQO-UHFFFAOYSA-N -1 0 364.343 -0.081 20 0 FBADRM COc1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)cc1-n1cnnn1 ZINC000781825210 660847124 /nfs/dbraw/zinc/84/71/24/660847124.db2.gz NESHKBXMOGLUFJ-JTQLQIEISA-N -1 0 367.387 -0.233 20 0 FBADRM COc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)cc1-n1cnnn1 ZINC000781825214 660847098 /nfs/dbraw/zinc/84/70/98/660847098.db2.gz NESHKBXMOGLUFJ-SNVBAGLBSA-N -1 0 367.387 -0.233 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000781826536 660847385 /nfs/dbraw/zinc/84/73/85/660847385.db2.gz HEQPIXRLYBLZGJ-UHFFFAOYSA-N -1 0 370.391 -0.776 20 0 FBADRM COc1ccc(C(=O)[N-]S(=O)(=O)c2cnccn2)cc1-n1cnnn1 ZINC000781827107 660847460 /nfs/dbraw/zinc/84/74/60/660847460.db2.gz RYHDUUPCRYQTOB-UHFFFAOYSA-N -1 0 361.343 -0.420 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000781829495 660847221 /nfs/dbraw/zinc/84/72/21/660847221.db2.gz XBJBHBAQBUZERJ-UHFFFAOYSA-N -1 0 354.392 -0.013 20 0 FBADRM COc1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)cc1-n1cnnn1 ZINC000781852711 660847472 /nfs/dbraw/zinc/84/74/72/660847472.db2.gz VNTSBCRGTWGHQP-LLVKDONJSA-N -1 0 367.387 -0.091 20 0 FBADRM COc1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)cc1-n1cnnn1 ZINC000781852713 660847270 /nfs/dbraw/zinc/84/72/70/660847270.db2.gz VNTSBCRGTWGHQP-NSHDSACASA-N -1 0 367.387 -0.091 20 0 FBADRM COc1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)cc1-n1cnnn1 ZINC000781853012 660847237 /nfs/dbraw/zinc/84/72/37/660847237.db2.gz ZSANMBJIGMDWIA-LLVKDONJSA-N -1 0 367.387 -0.091 20 0 FBADRM COc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)cc1-n1cnnn1 ZINC000781853013 660847430 /nfs/dbraw/zinc/84/74/30/660847430.db2.gz ZSANMBJIGMDWIA-NSHDSACASA-N -1 0 367.387 -0.091 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)Cc2nc3ncccn3n2)cn1 ZINC000781853823 660847304 /nfs/dbraw/zinc/84/73/04/660847304.db2.gz GDTHNTQGBCWLPL-UHFFFAOYSA-N -1 0 362.371 -0.034 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)N2CCOCC2)cn1 ZINC000781854032 660847493 /nfs/dbraw/zinc/84/74/93/660847493.db2.gz JHOAXKUDEQATQP-UHFFFAOYSA-N -1 0 371.415 -0.076 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CN2CCCS2(=O)=O)cn1 ZINC000781855722 660847263 /nfs/dbraw/zinc/84/72/63/660847263.db2.gz IYGUMYNMOHPBER-UHFFFAOYSA-N -1 0 363.417 -0.679 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CCN2C(=O)CCC2=O)cn1 ZINC000781857440 660847476 /nfs/dbraw/zinc/84/74/76/660847476.db2.gz JWEVDEKEAVJWAN-UHFFFAOYSA-N -1 0 355.372 -0.176 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CCCN2C(=O)CNC2=O)cn1 ZINC000781862853 660847469 /nfs/dbraw/zinc/84/74/69/660847469.db2.gz SRBGEPJXFYJFQM-UHFFFAOYSA-N -1 0 370.387 -0.383 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O)cn1 ZINC000781865471 660847364 /nfs/dbraw/zinc/84/73/64/660847364.db2.gz UBDYICWCWXARQB-UHFFFAOYSA-N -1 0 351.406 -0.823 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(CCOC)C2)cn1 ZINC000781867570 660847457 /nfs/dbraw/zinc/84/74/57/660847457.db2.gz HLEGCIWGBDAVFL-LLVKDONJSA-N -1 0 371.415 -0.220 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(CCOC)C2)cn1 ZINC000781867597 660847409 /nfs/dbraw/zinc/84/74/09/660847409.db2.gz HLEGCIWGBDAVFL-NSHDSACASA-N -1 0 371.415 -0.220 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)[nH]c2=O)cn1 ZINC000781869305 660847278 /nfs/dbraw/zinc/84/72/78/660847278.db2.gz QCFMHQVXVGGMBS-UHFFFAOYSA-N -1 0 354.344 -0.602 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1cccc(-c2nnco2)c1 ZINC000781870294 660847375 /nfs/dbraw/zinc/84/73/75/660847375.db2.gz BTEVOBMYKRXWMS-UHFFFAOYSA-N -1 0 354.344 -0.394 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)NCCC(=O)NCC(=O)[O-])CC1 ZINC000781872197 660847338 /nfs/dbraw/zinc/84/73/38/660847338.db2.gz IHGRFLWPWDABHU-UHFFFAOYSA-N -1 0 365.408 -0.882 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])ccc1F ZINC000781872924 660847394 /nfs/dbraw/zinc/84/73/94/660847394.db2.gz MHXKVSLYKORUEG-UHFFFAOYSA-N -1 0 362.335 -0.519 20 0 FBADRM COc1cc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cnc1Cl ZINC000781873947 660847434 /nfs/dbraw/zinc/84/74/34/660847434.db2.gz RTPNYBXXZKNFFE-UHFFFAOYSA-N -1 0 351.768 -0.387 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000781874058 660847309 /nfs/dbraw/zinc/84/73/09/660847309.db2.gz VBBNIUXPXHTKJY-UHFFFAOYSA-N -1 0 354.340 -0.338 20 0 FBADRM COC(=O)/C=C\c1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1 ZINC000781874078 660847401 /nfs/dbraw/zinc/84/74/01/660847401.db2.gz VLCJKYBNLRNIMS-DAXSKMNVSA-N -1 0 370.383 -0.258 20 0 FBADRM COC(=O)/C=C/c1ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1 ZINC000781874079 660847323 /nfs/dbraw/zinc/84/73/23/660847323.db2.gz VLCJKYBNLRNIMS-QPJJXVBHSA-N -1 0 370.383 -0.258 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000781874885 660847481 /nfs/dbraw/zinc/84/74/81/660847481.db2.gz XWBVDMOLCQJCEK-UHFFFAOYSA-N -1 0 366.808 -0.082 20 0 FBADRM CS(=O)(=O)c1cccnc1CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000781966619 660848433 /nfs/dbraw/zinc/84/84/33/660848433.db2.gz OQXAGMIEZUEYCT-UHFFFAOYSA-N -1 0 359.385 -0.010 20 0 FBADRM O=C(NN1CN=NC1=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 ZINC000782127496 660850034 /nfs/dbraw/zinc/85/00/34/660850034.db2.gz AHZNILHEGSTMIB-UHFFFAOYSA-N -1 0 360.355 -0.015 20 0 FBADRM CC(C)N1C(=O)c2ccc(C(=O)NN3CN=NC3=O)cc2S1(=O)=O ZINC000782128825 660850188 /nfs/dbraw/zinc/85/01/88/660850188.db2.gz JXUNZVHRSIJFNO-UHFFFAOYSA-N -1 0 351.344 -0.080 20 0 FBADRM COCCN1C(=O)c2ccc(C(=O)NN3CN=NC3=O)cc2S1(=O)=O ZINC000782128914 660850105 /nfs/dbraw/zinc/85/01/05/660850105.db2.gz MYXYSISBWFPLQK-UHFFFAOYSA-N -1 0 367.343 -0.842 20 0 FBADRM CC(=O)N1CCc2cc(S(=O)(=O)[N-]N3CC(=O)N(C)C3=O)ccc21 ZINC000782129691 660850129 /nfs/dbraw/zinc/85/01/29/660850129.db2.gz DOISXFVBKKJGKX-UHFFFAOYSA-N -1 0 352.372 -0.317 20 0 FBADRM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]N3CC(=O)N(C)C3=O)cc21 ZINC000782131147 660850123 /nfs/dbraw/zinc/85/01/23/660850123.db2.gz SEDFOODPQCBVSZ-UHFFFAOYSA-N -1 0 352.372 -0.317 20 0 FBADRM C[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000782212012 660850463 /nfs/dbraw/zinc/85/04/63/660850463.db2.gz OMTAOTQJIBXNTA-JTQLQIEISA-N -1 0 369.399 -0.648 20 0 FBADRM C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000782212014 660850688 /nfs/dbraw/zinc/85/06/88/660850688.db2.gz OMTAOTQJIBXNTA-SNVBAGLBSA-N -1 0 369.399 -0.648 20 0 FBADRM C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000782497629 660852725 /nfs/dbraw/zinc/85/27/25/660852725.db2.gz YXAQFQXXHCLDAQ-SSDOTTSWSA-N -1 0 353.360 -0.713 20 0 FBADRM C[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000782497756 660852754 /nfs/dbraw/zinc/85/27/54/660852754.db2.gz YXAQFQXXHCLDAQ-ZETCQYMHSA-N -1 0 353.360 -0.713 20 0 FBADRM NC(=O)C(NC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1)C(N)=O ZINC000782561348 660852905 /nfs/dbraw/zinc/85/29/05/660852905.db2.gz AODZAZVKPVXVOW-UHFFFAOYSA-N -1 0 368.293 -0.983 20 0 FBADRM CC1(C(=O)[N-]S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)COC1 ZINC000782576362 660853034 /nfs/dbraw/zinc/85/30/34/660853034.db2.gz BNECVUKQFBIYBV-UHFFFAOYSA-N -1 0 352.368 -0.235 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c(C)n1 ZINC000782577290 660853143 /nfs/dbraw/zinc/85/31/43/660853143.db2.gz GMWAWLWRGJZLBU-UHFFFAOYSA-N -1 0 369.403 -0.606 20 0 FBADRM COc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)c2cnn(C)c2)cc1 ZINC000782578182 660853271 /nfs/dbraw/zinc/85/32/71/660853271.db2.gz WTEXSIJHMPUGDQ-UHFFFAOYSA-N -1 0 352.372 -0.336 20 0 FBADRM Cn1ccc(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)n1 ZINC000782582930 660853333 /nfs/dbraw/zinc/85/33/33/660853333.db2.gz MCYHDSADGFYIQK-UHFFFAOYSA-N -1 0 361.387 -0.342 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cc(C)[nH]c(=O)c2)CC1 ZINC000782589967 660853376 /nfs/dbraw/zinc/85/33/76/660853376.db2.gz XASWFYAXIMXKBJ-UHFFFAOYSA-N -1 0 357.388 -0.045 20 0 FBADRM COc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)N2CCCC2)cc1OC ZINC000782589975 660853296 /nfs/dbraw/zinc/85/32/96/660853296.db2.gz XYZSVLGQHLXJLZ-UHFFFAOYSA-N -1 0 371.415 -0.110 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(OC)c(OC)c1 ZINC000782598970 660853499 /nfs/dbraw/zinc/85/34/99/660853499.db2.gz RHVCJRDSBBENKQ-UHFFFAOYSA-N -1 0 360.388 -0.474 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(OC)c(OC)c1 ZINC000782600411 660853524 /nfs/dbraw/zinc/85/35/24/660853524.db2.gz VVCNWIZXKKHWMJ-UHFFFAOYSA-N -1 0 374.415 -0.084 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(OC)c(OC)c1 ZINC000782604801 660853617 /nfs/dbraw/zinc/85/36/17/660853617.db2.gz LEITTXWNKSKEFD-UHFFFAOYSA-N -1 0 359.404 -0.254 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(OC)c(OC)c1 ZINC000782606024 660853650 /nfs/dbraw/zinc/85/36/50/660853650.db2.gz IAGWBPGVFXHORI-JTQLQIEISA-N -1 0 374.415 -0.086 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(OC)c(OC)c1 ZINC000782606025 660853505 /nfs/dbraw/zinc/85/35/05/660853505.db2.gz IAGWBPGVFXHORI-SNVBAGLBSA-N -1 0 374.415 -0.086 20 0 FBADRM COc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)N2CCOCC2)cc1 ZINC000782607070 660853550 /nfs/dbraw/zinc/85/35/50/660853550.db2.gz YQJFCKAKFQVESD-UHFFFAOYSA-N -1 0 357.388 -0.882 20 0 FBADRM COc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cc1OC ZINC000782607987 660853509 /nfs/dbraw/zinc/85/35/09/660853509.db2.gz PFHFGTZPGNPARE-LLVKDONJSA-N -1 0 372.399 -0.332 20 0 FBADRM COc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cc1OC ZINC000782607988 660853685 /nfs/dbraw/zinc/85/36/85/660853685.db2.gz PFHFGTZPGNPARE-NSHDSACASA-N -1 0 372.399 -0.332 20 0 FBADRM COc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)c2cnccn2)cc1 ZINC000782613590 660853688 /nfs/dbraw/zinc/85/36/88/660853688.db2.gz LJZFNSBHRBFGME-UHFFFAOYSA-N -1 0 350.356 -0.280 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(OC)cc1 ZINC000782615847 660853874 /nfs/dbraw/zinc/85/38/74/660853874.db2.gz XYLYCQOGFZKXEQ-UHFFFAOYSA-N -1 0 359.404 -0.636 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(OC)cc1 ZINC000782620462 660853836 /nfs/dbraw/zinc/85/38/36/660853836.db2.gz KYLKQVZCPDEXFC-UHFFFAOYSA-N -1 0 374.415 -0.466 20 0 FBADRM COc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)cc1 ZINC000782628673 660853868 /nfs/dbraw/zinc/85/38/68/660853868.db2.gz YHBVOYVTRGUTIS-LLVKDONJSA-N -1 0 356.400 -0.093 20 0 FBADRM COc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)cc1 ZINC000782628674 660853891 /nfs/dbraw/zinc/85/38/91/660853891.db2.gz YHBVOYVTRGUTIS-NSHDSACASA-N -1 0 356.400 -0.093 20 0 FBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000782631599 660854256 /nfs/dbraw/zinc/85/42/56/660854256.db2.gz GESFWZMLFYGVCV-UHFFFAOYSA-N -1 0 353.809 -0.425 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2ccnc(Cl)c2)nn1 ZINC000782632136 660854121 /nfs/dbraw/zinc/85/41/21/660854121.db2.gz KKPPOPJUVRPDEU-UHFFFAOYSA-N -1 0 372.794 -0.467 20 0 FBADRM O=C(CCCN1C(=O)CNC1=O)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000782638539 660854340 /nfs/dbraw/zinc/85/43/40/660854340.db2.gz WHYWLEMGXLUBFO-UHFFFAOYSA-N -1 0 360.779 -0.128 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2ccnc(Cl)c2)C(=O)C1=O ZINC000782638730 660854271 /nfs/dbraw/zinc/85/42/71/660854271.db2.gz NRZINTABDFPGCV-UHFFFAOYSA-N -1 0 374.806 -0.769 20 0 FBADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)c2ccnc(Cl)c2)c1=O ZINC000782640358 660854179 /nfs/dbraw/zinc/85/41/79/660854179.db2.gz NNFZVPMBLUGXHT-UHFFFAOYSA-N -1 0 358.763 -0.900 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccnc(Cl)c2)c(=O)n(C)c1=O ZINC000782640506 660854139 /nfs/dbraw/zinc/85/41/39/660854139.db2.gz RGMPSTDDWUCVOV-UHFFFAOYSA-N -1 0 358.763 -0.749 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000782640795 660854196 /nfs/dbraw/zinc/85/41/96/660854196.db2.gz WELKOMQEUSWSDV-SECBINFHSA-N -1 0 367.836 -0.036 20 0 FBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000782640796 660854134 /nfs/dbraw/zinc/85/41/34/660854134.db2.gz WELKOMQEUSWSDV-VIFPVBQESA-N -1 0 367.836 -0.036 20 0 FBADRM O=C(CN1CCCS1(=O)=O)OCCOCC[N-]C(=O)C(F)(F)F ZINC000782642393 660854112 /nfs/dbraw/zinc/85/41/12/660854112.db2.gz RLRKLRKAKXUXQW-UHFFFAOYSA-N -1 0 362.326 -0.740 20 0 FBADRM O=C(CCN1CCCS1(=O)=O)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000782642682 660854159 /nfs/dbraw/zinc/85/41/59/660854159.db2.gz XXKAPLOMBGNDJU-UHFFFAOYSA-N -1 0 367.836 -0.035 20 0 FBADRM O=C(Cc1nc2ncccn2n1)OCCOCC[N-]C(=O)C(F)(F)F ZINC000782642836 660854173 /nfs/dbraw/zinc/85/41/73/660854173.db2.gz ZZGPGMVRUIMWNX-UHFFFAOYSA-N -1 0 361.280 -0.095 20 0 FBADRM Cn1cc(C(=O)OCCOCC[N-]C(=O)C(F)(F)F)c(=O)[nH]c1=O ZINC000782645719 660854246 /nfs/dbraw/zinc/85/42/46/660854246.db2.gz PKXKJHFNFNXHLG-UHFFFAOYSA-N -1 0 353.253 -0.662 20 0 FBADRM CC(C)(NS(C)(=O)=O)C(=O)OCCOCC[N-]C(=O)C(F)(F)F ZINC000782649610 660854186 /nfs/dbraw/zinc/85/41/86/660854186.db2.gz QSBWIEAASWDJNS-UHFFFAOYSA-N -1 0 364.342 -0.448 20 0 FBADRM COc1cc(C(=O)NCC(=O)NCc2nnn[n-]2)ccc1OC(F)F ZINC000782686633 660854226 /nfs/dbraw/zinc/85/42/26/660854226.db2.gz MLZKEUWDLUYPBV-UHFFFAOYSA-N -1 0 356.289 -0.144 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)CN2CCCS2(=O)=O)c1 ZINC000782694144 660854197 /nfs/dbraw/zinc/85/41/97/660854197.db2.gz FHJZYWYUBCJJAQ-UHFFFAOYSA-N -1 0 364.449 -0.621 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)CCC(=O)N2CCOCC2)c1 ZINC000782695686 660854334 /nfs/dbraw/zinc/85/43/34/660854334.db2.gz QGOIBDMLBMQZBL-UHFFFAOYSA-N -1 0 372.447 -0.017 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O)c1 ZINC000782696527 660854566 /nfs/dbraw/zinc/85/45/66/660854566.db2.gz RGCQEKRNSMLXBA-UHFFFAOYSA-N -1 0 352.438 -0.765 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)CCN2C(=O)CCC2=O)c1 ZINC000782697012 660854516 /nfs/dbraw/zinc/85/45/16/660854516.db2.gz AJSHAZUGZALEQA-UHFFFAOYSA-N -1 0 356.404 -0.117 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2cn(CC(C)C)cn2)CC1=O ZINC000782699125 660854442 /nfs/dbraw/zinc/85/44/42/660854442.db2.gz HKFHVOJIFQYKHC-GFCCVEGCSA-N -1 0 372.447 -0.161 20 0 FBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2cn(CC(C)C)cn2)CC1=O ZINC000782699126 660854511 /nfs/dbraw/zinc/85/45/11/660854511.db2.gz HKFHVOJIFQYKHC-LBPRGKRZSA-N -1 0 372.447 -0.161 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)CCCN2C(=O)CNC2=O)c1 ZINC000782699140 660854543 /nfs/dbraw/zinc/85/45/43/660854543.db2.gz IEBJYNMOLNDYPQ-UHFFFAOYSA-N -1 0 371.419 -0.324 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000782703680 660854502 /nfs/dbraw/zinc/85/45/02/660854502.db2.gz XTRNZHSHVZALND-UHFFFAOYSA-N -1 0 369.403 -0.945 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)[nH]c2=O)c1 ZINC000782705201 660854460 /nfs/dbraw/zinc/85/44/60/660854460.db2.gz MHLLHGQIFOOZEU-UHFFFAOYSA-N -1 0 355.376 -0.543 20 0 FBADRM O=C(CNC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1)NCCO ZINC000782720523 660854536 /nfs/dbraw/zinc/85/45/36/660854536.db2.gz QPVDKSMLVYUTQE-UHFFFAOYSA-N -1 0 369.321 -0.214 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cnc3n[nH]nc3c2)CC1 ZINC000783077818 660856819 /nfs/dbraw/zinc/85/68/19/660856819.db2.gz CPXHTRHDXPGYCP-UHFFFAOYSA-N -1 0 368.375 -0.788 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cnc2n[nH]nc2c1 ZINC000783090031 660857007 /nfs/dbraw/zinc/85/70/07/660857007.db2.gz OSCYIBPDGJIGQD-JTQLQIEISA-N -1 0 368.375 -0.645 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cnc2n[nH]nc2c1 ZINC000783090032 660856961 /nfs/dbraw/zinc/85/69/61/660856961.db2.gz OSCYIBPDGJIGQD-SNVBAGLBSA-N -1 0 368.375 -0.645 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cnc3n[nH]nc3c2)cc1C(N)=O ZINC000783091329 660856894 /nfs/dbraw/zinc/85/68/94/660856894.db2.gz IYAMQPJXHRUWDK-UHFFFAOYSA-N -1 0 360.355 -0.121 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cnc3n[nH]nc3c2)s1 ZINC000783092450 660857001 /nfs/dbraw/zinc/85/70/01/660857001.db2.gz VENHWROMNXVAHL-UHFFFAOYSA-N -1 0 352.357 -0.368 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1c1ncnc2ccccc21 ZINC000783129152 660857148 /nfs/dbraw/zinc/85/71/48/660857148.db2.gz WAUCLKLRWBPEJP-GFCCVEGCSA-N -1 0 363.399 -0.470 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000783129160 660857156 /nfs/dbraw/zinc/85/71/56/660857156.db2.gz WAUCLKLRWBPEJP-LBPRGKRZSA-N -1 0 363.399 -0.470 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cnc3n[nH]nc3c2)cc1 ZINC000783129351 660857141 /nfs/dbraw/zinc/85/71/41/660857141.db2.gz ZIZRCUIJQGZIJG-UHFFFAOYSA-N -1 0 360.355 -0.169 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)c2cnc3n[nH]nc3c2)c(C)nn1C ZINC000783135240 660857126 /nfs/dbraw/zinc/85/71/26/660857126.db2.gz CSMKXSZDFFJKNB-UHFFFAOYSA-N -1 0 351.348 -0.478 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn(CC(F)F)c1)c1cnc2n[nH]nc2c1 ZINC000783137260 660857227 /nfs/dbraw/zinc/85/72/27/660857227.db2.gz RALSXLKCSQBUKZ-UHFFFAOYSA-N -1 0 357.302 -0.067 20 0 FBADRM CNS(=O)(=O)CCC(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000783191637 660857854 /nfs/dbraw/zinc/85/78/54/660857854.db2.gz HDRPHFOJTNESEQ-UHFFFAOYSA-N -1 0 361.401 -0.509 20 0 FBADRM CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000783340758 660858378 /nfs/dbraw/zinc/85/83/78/660858378.db2.gz VBQQFCPMOFUQAW-NSHDSACASA-N -1 0 358.420 -0.520 20 0 FBADRM O=C([N-]N1CCCNC1=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000783606116 660859479 /nfs/dbraw/zinc/85/94/79/660859479.db2.gz NJURVNJVWAEAPB-UHFFFAOYSA-N -1 0 358.376 -0.639 20 0 FBADRM C[C@H](CO[N-]C(=O)CN1CCS(=O)(=O)CC1)NC(=O)OC(C)(C)C ZINC000783658432 660859751 /nfs/dbraw/zinc/85/97/51/660859751.db2.gz FSPHLGRYOBCPFB-LLVKDONJSA-N -1 0 365.452 -0.322 20 0 FBADRM C[C@@H](CO[N-]C(=O)CN1CCS(=O)(=O)CC1)NC(=O)OC(C)(C)C ZINC000783658433 660859797 /nfs/dbraw/zinc/85/97/97/660859797.db2.gz FSPHLGRYOBCPFB-NSHDSACASA-N -1 0 365.452 -0.322 20 0 FBADRM C[C@H](CO[N-]C(=O)c1cn(C)c(=O)n(C)c1=O)NC(=O)OC(C)(C)C ZINC000783659915 660859715 /nfs/dbraw/zinc/85/97/15/660859715.db2.gz BXHBEHMHOOAWKC-SECBINFHSA-N -1 0 356.379 -0.341 20 0 FBADRM C[C@@H](CO[N-]C(=O)c1cn(C)c(=O)n(C)c1=O)NC(=O)OC(C)(C)C ZINC000783659917 660859774 /nfs/dbraw/zinc/85/97/74/660859774.db2.gz BXHBEHMHOOAWKC-VIFPVBQESA-N -1 0 356.379 -0.341 20 0 FBADRM C[C@H]1CN(C)C(=O)CN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000783756806 660860512 /nfs/dbraw/zinc/86/05/12/660860512.db2.gz KPAJSZKYTPAUAK-JTQLQIEISA-N -1 0 355.416 -0.055 20 0 FBADRM C[C@@H]1CN(C)C(=O)CN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000783756816 660860538 /nfs/dbraw/zinc/86/05/38/660860538.db2.gz KPAJSZKYTPAUAK-SNVBAGLBSA-N -1 0 355.416 -0.055 20 0 FBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)n1 ZINC000784483991 660863782 /nfs/dbraw/zinc/86/37/82/660863782.db2.gz DQPICMAGJFTWAH-UHFFFAOYSA-N -1 0 355.376 -0.914 20 0 FBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)OC)CC2)n1 ZINC000784498959 660863948 /nfs/dbraw/zinc/86/39/48/660863948.db2.gz NKBDEUXUAWQMAJ-UHFFFAOYSA-N -1 0 374.419 -0.611 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCCC1)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000784501321 660863886 /nfs/dbraw/zinc/86/38/86/660863886.db2.gz YLLFQEKGRYEGQO-KBPBESRZSA-N -1 0 371.459 -0.116 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCCC1)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000784501332 660863875 /nfs/dbraw/zinc/86/38/75/660863875.db2.gz YLLFQEKGRYEGQO-KGLIPLIRSA-N -1 0 371.459 -0.116 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCCC1)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000784501335 660863868 /nfs/dbraw/zinc/86/38/68/660863868.db2.gz YLLFQEKGRYEGQO-UONOGXRCSA-N -1 0 371.459 -0.116 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCCC1)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000784501340 660863840 /nfs/dbraw/zinc/86/38/40/660863840.db2.gz YLLFQEKGRYEGQO-ZIAGYGMSSA-N -1 0 371.459 -0.116 20 0 FBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)n1 ZINC000784503516 660864121 /nfs/dbraw/zinc/86/41/21/660864121.db2.gz CDVRJUJGHUZGIC-UHFFFAOYSA-N -1 0 358.401 -0.191 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000784503782 660864158 /nfs/dbraw/zinc/86/41/58/660864158.db2.gz DKOVUTLLCKRIIJ-KBPBESRZSA-N -1 0 374.459 -0.090 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000784503784 660864069 /nfs/dbraw/zinc/86/40/69/660864069.db2.gz DKOVUTLLCKRIIJ-KGLIPLIRSA-N -1 0 374.459 -0.090 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000784503785 660864190 /nfs/dbraw/zinc/86/41/90/660864190.db2.gz DKOVUTLLCKRIIJ-UONOGXRCSA-N -1 0 374.459 -0.090 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000784503787 660864024 /nfs/dbraw/zinc/86/40/24/660864024.db2.gz DKOVUTLLCKRIIJ-ZIAGYGMSSA-N -1 0 374.459 -0.090 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000784504251 660864142 /nfs/dbraw/zinc/86/41/42/660864142.db2.gz GBKXRGFRAVGSJZ-CHWSQXEVSA-N -1 0 360.432 -0.480 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000784504252 660864172 /nfs/dbraw/zinc/86/41/72/660864172.db2.gz GBKXRGFRAVGSJZ-OLZOCXBDSA-N -1 0 360.432 -0.480 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000784504253 660864089 /nfs/dbraw/zinc/86/40/89/660864089.db2.gz GBKXRGFRAVGSJZ-QWHCGFSZSA-N -1 0 360.432 -0.480 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000784504254 660864083 /nfs/dbraw/zinc/86/40/83/660864083.db2.gz GBKXRGFRAVGSJZ-STQMWFEESA-N -1 0 360.432 -0.480 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccn(CCOC)n1 ZINC000784506320 660864030 /nfs/dbraw/zinc/86/40/30/660864030.db2.gz NDSPIAFIEVZNAB-GFCCVEGCSA-N -1 0 374.419 -0.468 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccn(CCOC)n1 ZINC000784506323 660864087 /nfs/dbraw/zinc/86/40/87/660864087.db2.gz NDSPIAFIEVZNAB-LBPRGKRZSA-N -1 0 374.419 -0.468 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1cc2c(nc3ccccn3c2=O)n1C ZINC000784507373 660864177 /nfs/dbraw/zinc/86/41/77/660864177.db2.gz TWFBZOKPYAHZJF-UHFFFAOYSA-N -1 0 364.383 -0.108 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000784512849 660864047 /nfs/dbraw/zinc/86/40/47/660864047.db2.gz VSMNSZCZETUPGE-BFHYXJOUSA-N -1 0 374.459 -0.092 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000784512850 660864041 /nfs/dbraw/zinc/86/40/41/660864041.db2.gz VSMNSZCZETUPGE-IHRRRGAJSA-N -1 0 374.459 -0.092 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000784512851 660864144 /nfs/dbraw/zinc/86/41/44/660864144.db2.gz VSMNSZCZETUPGE-MELADBBJSA-N -1 0 374.459 -0.092 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000784512852 660864168 /nfs/dbraw/zinc/86/41/68/660864168.db2.gz VSMNSZCZETUPGE-MJBXVCDLSA-N -1 0 374.459 -0.092 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000784521411 660864022 /nfs/dbraw/zinc/86/40/22/660864022.db2.gz RMZPKURKZKPEQU-CHWSQXEVSA-N -1 0 359.448 -0.260 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000784521416 660864056 /nfs/dbraw/zinc/86/40/56/660864056.db2.gz RMZPKURKZKPEQU-OLZOCXBDSA-N -1 0 359.448 -0.260 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000784521417 660864138 /nfs/dbraw/zinc/86/41/38/660864138.db2.gz RMZPKURKZKPEQU-QWHCGFSZSA-N -1 0 359.448 -0.260 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000784521418 660864067 /nfs/dbraw/zinc/86/40/67/660864067.db2.gz RMZPKURKZKPEQU-STQMWFEESA-N -1 0 359.448 -0.260 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cccc(C(=O)NC2CC2)c1 ZINC000784521790 660864182 /nfs/dbraw/zinc/86/41/82/660864182.db2.gz VJHJQDSNLNXBFR-UHFFFAOYSA-N -1 0 353.400 -0.114 20 0 FBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)n1 ZINC000784535401 660864104 /nfs/dbraw/zinc/86/41/04/660864104.db2.gz SNUWABPNNZVELY-UHFFFAOYSA-N -1 0 374.404 -0.542 20 0 FBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)OC)n1 ZINC000784545572 660864391 /nfs/dbraw/zinc/86/43/91/660864391.db2.gz DTOXHJXHEUVSJI-UHFFFAOYSA-N -1 0 374.400 -0.109 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000784547169 660864407 /nfs/dbraw/zinc/86/44/07/660864407.db2.gz KYNYOIPIYOOFJM-SRVKXCTJSA-N -1 0 367.431 -0.455 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000784547170 660864397 /nfs/dbraw/zinc/86/43/97/660864397.db2.gz KYNYOIPIYOOFJM-TUAOUCFPSA-N -1 0 367.431 -0.455 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000784547171 660864281 /nfs/dbraw/zinc/86/42/81/660864281.db2.gz KYNYOIPIYOOFJM-UTUOFQBUSA-N -1 0 367.431 -0.455 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000784547172 660864353 /nfs/dbraw/zinc/86/43/53/660864353.db2.gz KYNYOIPIYOOFJM-WOPDTQHZSA-N -1 0 367.431 -0.455 20 0 FBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2OC)n1 ZINC000784557405 660864412 /nfs/dbraw/zinc/86/44/12/660864412.db2.gz SOAUVRIWIMCWFG-UHFFFAOYSA-N -1 0 357.392 -0.301 20 0 FBADRM CCn1c(=O)c2ccc(C(=O)NCCS(=O)(=O)NC)cc2[n-]c1=S ZINC000784706827 660865192 /nfs/dbraw/zinc/86/51/92/660865192.db2.gz KPGQPJYXAPOQHQ-UHFFFAOYSA-N -1 0 370.456 -0.016 20 0 FBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]N2CCCNC2=O)c(F)c1 ZINC000784723912 660865034 /nfs/dbraw/zinc/86/50/34/660865034.db2.gz KLFQBKPPQUISDH-UHFFFAOYSA-N -1 0 366.396 -0.194 20 0 FBADRM O=C(c1ccc(S(=O)(=O)[N-]N2CCCNC2=O)cc1)N1CCOCC1 ZINC000784724073 660865185 /nfs/dbraw/zinc/86/51/85/660865185.db2.gz OFYYTRRWVGFZAD-UHFFFAOYSA-N -1 0 368.415 -0.232 20 0 FBADRM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]N2CCCNC2=O)c1 ZINC000784724462 660865431 /nfs/dbraw/zinc/86/54/31/660865431.db2.gz PHWXJORATUVWOB-UHFFFAOYSA-N -1 0 371.371 -0.132 20 0 FBADRM O=C1NCCCN1[N-]S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000784724932 660865440 /nfs/dbraw/zinc/86/54/40/660865440.db2.gz UZCCWVWFHLTUSG-UHFFFAOYSA-N -1 0 374.444 -0.264 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000784815091 660865881 /nfs/dbraw/zinc/86/58/81/660865881.db2.gz NMUQCSVXOJUIRZ-UHFFFAOYSA-N -1 0 353.422 -0.232 20 0 FBADRM CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000784816900 660865952 /nfs/dbraw/zinc/86/59/52/660865952.db2.gz ZWSGTCWTOMENET-NSHDSACASA-N -1 0 350.360 -0.912 20 0 FBADRM Cn1cc(C(C)(C)C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cn1 ZINC000784817196 660865868 /nfs/dbraw/zinc/86/58/68/660865868.db2.gz VCYFYMBFRUADRN-UHFFFAOYSA-N -1 0 353.404 -0.360 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000784817621 660865823 /nfs/dbraw/zinc/86/58/23/660865823.db2.gz ICLBEQVDOXHCRB-UHFFFAOYSA-N -1 0 366.465 -0.487 20 0 FBADRM CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000784817908 660865784 /nfs/dbraw/zinc/86/57/84/660865784.db2.gz MATAFRTUNPWOAJ-LBPRGKRZSA-N -1 0 351.384 -0.003 20 0 FBADRM COc1c2cnn(C)c2ncc1C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000784823788 660866134 /nfs/dbraw/zinc/86/61/34/660866134.db2.gz CFNVITGGURVVKI-UHFFFAOYSA-N -1 0 350.360 -0.171 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)COCCNC(=O)c2ccccc2)cn1 ZINC000784824401 660866177 /nfs/dbraw/zinc/86/61/77/660866177.db2.gz LPWMYQNHYKVCRD-UHFFFAOYSA-N -1 0 366.399 -0.328 20 0 FBADRM CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000784832743 660866115 /nfs/dbraw/zinc/86/61/15/660866115.db2.gz FFKVUBLDOGTVNB-NSHDSACASA-N -1 0 360.413 -0.484 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)N2C)c1 ZINC000784834255 660866164 /nfs/dbraw/zinc/86/61/64/660866164.db2.gz ZGHMLELIOQXTJS-NSHDSACASA-N -1 0 364.387 -0.697 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)C(C)(C)c2cnn(C)c2)CC1 ZINC000784842298 660866095 /nfs/dbraw/zinc/86/60/95/660866095.db2.gz LLBRFSHFOUCWEE-UHFFFAOYSA-N -1 0 372.447 -0.056 20 0 FBADRM O=C(COCCNC(=O)c1ccccc1)[N-]S(=O)(=O)N1CCCC1 ZINC000784844009 660866154 /nfs/dbraw/zinc/86/61/54/660866154.db2.gz QKMNCNHZWPFXLF-UHFFFAOYSA-N -1 0 355.416 -0.110 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000784855622 660866093 /nfs/dbraw/zinc/86/60/93/660866093.db2.gz WICLSXKONRHNIE-UHFFFAOYSA-N -1 0 372.856 -0.450 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000784859368 660866201 /nfs/dbraw/zinc/86/62/01/660866201.db2.gz JZCFMILRIRHWGI-LLVKDONJSA-N -1 0 356.466 -0.327 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000784859369 660866071 /nfs/dbraw/zinc/86/60/71/660866071.db2.gz JZCFMILRIRHWGI-NSHDSACASA-N -1 0 356.466 -0.327 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)COCCNC(=O)c1ccccc1 ZINC000784864297 660866077 /nfs/dbraw/zinc/86/60/77/660866077.db2.gz OMNKFUIJDPJHCS-UHFFFAOYSA-N -1 0 358.416 -0.085 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)COCCNC(=O)c1ccccc1 ZINC000784870627 660866420 /nfs/dbraw/zinc/86/64/20/660866420.db2.gz BNFHDIFHBAXLIJ-GFCCVEGCSA-N -1 0 358.416 -0.086 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)COCCNC(=O)c1ccccc1 ZINC000784870628 660866476 /nfs/dbraw/zinc/86/64/76/660866476.db2.gz BNFHDIFHBAXLIJ-LBPRGKRZSA-N -1 0 358.416 -0.086 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)CCCC(=O)OC ZINC000784871283 660866447 /nfs/dbraw/zinc/86/64/47/660866447.db2.gz AJPAJMKXTQPCKD-UHFFFAOYSA-N -1 0 358.438 -0.943 20 0 FBADRM O=C(COCCNC(=O)c1ccccc1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000784872855 660866430 /nfs/dbraw/zinc/86/64/30/660866430.db2.gz YSEVDHHXFANAQM-CYBMUJFWSA-N -1 0 356.400 -0.332 20 0 FBADRM O=C(COCCNC(=O)c1ccccc1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000784872869 660866382 /nfs/dbraw/zinc/86/63/82/660866382.db2.gz YSEVDHHXFANAQM-ZDUSSCGKSA-N -1 0 356.400 -0.332 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cnc2c(cnn2C)c1OC ZINC000784872897 660866450 /nfs/dbraw/zinc/86/64/50/660866450.db2.gz VEPQZXMIGPJRSD-UHFFFAOYSA-N -1 0 370.387 -0.010 20 0 FBADRM CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000784873533 660866320 /nfs/dbraw/zinc/86/63/20/660866320.db2.gz MVEDCNVMMPGNTH-NSHDSACASA-N -1 0 360.413 -0.484 20 0 FBADRM CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000784875598 660866407 /nfs/dbraw/zinc/86/64/07/660866407.db2.gz MQSLGZOGHNTDRM-LBPRGKRZSA-N -1 0 351.384 -0.602 20 0 FBADRM O=C(COCCNC(=O)c1ccccc1)[N-]S(=O)(=O)N1CCOCC1 ZINC000784882355 660866393 /nfs/dbraw/zinc/86/63/93/660866393.db2.gz AGBNDVCTUQSTRX-UHFFFAOYSA-N -1 0 371.415 -0.874 20 0 FBADRM COc1c2cnn(C)c2ncc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000784884712 660866441 /nfs/dbraw/zinc/86/64/41/660866441.db2.gz XLOBQLIWVYIQTC-UHFFFAOYSA-N -1 0 355.376 -0.716 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)c1cnn(CC)c1 ZINC000784888914 660866495 /nfs/dbraw/zinc/86/64/95/660866495.db2.gz JJGMUVLUQNRYAU-UHFFFAOYSA-N -1 0 352.438 -0.621 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cnc2c(cnn2C)c1OC ZINC000784889750 660866534 /nfs/dbraw/zinc/86/65/34/660866534.db2.gz HAGBLYLIMANEFQ-UHFFFAOYSA-N -1 0 357.392 -0.470 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000784890088 660866505 /nfs/dbraw/zinc/86/65/05/660866505.db2.gz IORCVQNJGFMNRG-UHFFFAOYSA-N -1 0 351.425 -0.208 20 0 FBADRM O=C(COCCNC(=O)c1ccccc1)[N-]S(=O)(=O)c1cnccn1 ZINC000784891009 660866354 /nfs/dbraw/zinc/86/63/54/660866354.db2.gz QCRHQGPUGPAXGP-UHFFFAOYSA-N -1 0 364.383 -0.272 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)COCCNC(=O)c1ccccc1 ZINC000784891743 660866454 /nfs/dbraw/zinc/86/64/54/660866454.db2.gz ZYEAMJNKTKUGJY-UHFFFAOYSA-N -1 0 373.431 -0.628 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cnc2c(cnn2C)c1OC ZINC000784896524 660866337 /nfs/dbraw/zinc/86/63/37/660866337.db2.gz LRTVSGJQXOTVMQ-UHFFFAOYSA-N -1 0 372.403 -0.301 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000784897142 660866361 /nfs/dbraw/zinc/86/63/61/660866361.db2.gz NLFZGHOMGDBDRZ-UHFFFAOYSA-N -1 0 366.436 -0.038 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000784900610 660866544 /nfs/dbraw/zinc/86/65/44/660866544.db2.gz VEQHKUDYOKHSPO-UHFFFAOYSA-N -1 0 366.465 -0.060 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)N2C)nc1 ZINC000784900642 660866480 /nfs/dbraw/zinc/86/64/80/660866480.db2.gz WRLHWLVIYHNPSR-JTQLQIEISA-N -1 0 355.372 -0.316 20 0 FBADRM O=C(COCCNC(=O)c1ccccc1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000784902161 660866540 /nfs/dbraw/zinc/86/65/40/660866540.db2.gz KTSWJQXZTXGROV-CYBMUJFWSA-N -1 0 370.427 -0.085 20 0 FBADRM O=C(COCCNC(=O)c1ccccc1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000784902163 660866374 /nfs/dbraw/zinc/86/63/74/660866374.db2.gz KTSWJQXZTXGROV-ZDUSSCGKSA-N -1 0 370.427 -0.085 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC000784908074 660866710 /nfs/dbraw/zinc/86/67/10/660866710.db2.gz WPQZWHPCXATHEI-UHFFFAOYSA-N -1 0 366.465 -0.312 20 0 FBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C ZINC000785078766 660867472 /nfs/dbraw/zinc/86/74/72/660867472.db2.gz XLLPSQVRWSOSOA-MRVPVSSYSA-N -1 0 368.415 -0.201 20 0 FBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C ZINC000785078782 660867464 /nfs/dbraw/zinc/86/74/64/660867464.db2.gz XLLPSQVRWSOSOA-QMMMGPOBSA-N -1 0 368.415 -0.201 20 0 FBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000785084233 660867510 /nfs/dbraw/zinc/86/75/10/660867510.db2.gz PWKMYKSQJGBZHY-MRVPVSSYSA-N -1 0 354.388 -0.510 20 0 FBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000785084234 660867573 /nfs/dbraw/zinc/86/75/73/660867573.db2.gz PWKMYKSQJGBZHY-QMMMGPOBSA-N -1 0 354.388 -0.510 20 0 FBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000785085816 660867486 /nfs/dbraw/zinc/86/74/86/660867486.db2.gz BYIWVWGMJMXTPK-SSDOTTSWSA-N -1 0 357.392 -0.461 20 0 FBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000785085821 660867439 /nfs/dbraw/zinc/86/74/39/660867439.db2.gz BYIWVWGMJMXTPK-ZETCQYMHSA-N -1 0 357.392 -0.461 20 0 FBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000785092587 660867576 /nfs/dbraw/zinc/86/75/76/660867576.db2.gz ZMLDUXJSTPOVIK-SECBINFHSA-N -1 0 362.429 -0.196 20 0 FBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000785092591 660867387 /nfs/dbraw/zinc/86/73/87/660867387.db2.gz ZMLDUXJSTPOVIK-VIFPVBQESA-N -1 0 362.429 -0.196 20 0 FBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000785092885 660867480 /nfs/dbraw/zinc/86/74/80/660867480.db2.gz HCIWPPREELMVHR-MRVPVSSYSA-N -1 0 354.388 -0.510 20 0 FBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000785092886 660867551 /nfs/dbraw/zinc/86/75/51/660867551.db2.gz HCIWPPREELMVHR-QMMMGPOBSA-N -1 0 354.388 -0.510 20 0 FBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000785093459 660867380 /nfs/dbraw/zinc/86/73/80/660867380.db2.gz AUWVHVKODRIFQQ-SECBINFHSA-N -1 0 368.415 -0.201 20 0 FBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000785093461 660867403 /nfs/dbraw/zinc/86/74/03/660867403.db2.gz AUWVHVKODRIFQQ-VIFPVBQESA-N -1 0 368.415 -0.201 20 0 FBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000785096953 660867548 /nfs/dbraw/zinc/86/75/48/660867548.db2.gz HVVGUKBZVSWBGZ-SECBINFHSA-N -1 0 371.419 -0.932 20 0 FBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000785096954 660867538 /nfs/dbraw/zinc/86/75/38/660867538.db2.gz HVVGUKBZVSWBGZ-VIFPVBQESA-N -1 0 371.419 -0.932 20 0 FBADRM COc1cccc(CS(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)c1 ZINC000785119119 660867628 /nfs/dbraw/zinc/86/76/28/660867628.db2.gz UBSVBIXDKZXEFU-UHFFFAOYSA-N -1 0 367.383 -0.798 20 0 FBADRM COc1cccc(CS(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000785122438 660867776 /nfs/dbraw/zinc/86/77/76/660867776.db2.gz AVERORJAQZMDOU-UHFFFAOYSA-N -1 0 367.383 -0.648 20 0 FBADRM COc1cccc(CS(=O)(=O)[N-]C(=O)c2cn(C)c(=O)[nH]c2=O)c1 ZINC000785123096 660867753 /nfs/dbraw/zinc/86/77/53/660867753.db2.gz JFEBJKSSSCMBCF-UHFFFAOYSA-N -1 0 353.356 -0.246 20 0 FBADRM COc1cccc(CS(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)c1 ZINC000785123846 660867636 /nfs/dbraw/zinc/86/76/36/660867636.db2.gz JNDLTRGVHUZTDV-UHFFFAOYSA-N -1 0 353.360 -0.968 20 0 FBADRM COc1cccc(CS(=O)(=O)[N-]C(=O)CN2CCCS2(=O)=O)c1 ZINC000785126479 660867779 /nfs/dbraw/zinc/86/77/79/660867779.db2.gz RCHUPQQGWSXMAC-UHFFFAOYSA-N -1 0 362.429 -0.323 20 0 FBADRM COc1cccc(CS(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O)c1 ZINC000785127717 660867715 /nfs/dbraw/zinc/86/77/15/660867715.db2.gz COXVIMRBXKJPLP-UHFFFAOYSA-N -1 0 350.418 -0.467 20 0 FBADRM COc1cccc(CS(=O)(=O)[N-]C(=O)CCCN2C(=O)CNC2=O)c1 ZINC000785130676 660867654 /nfs/dbraw/zinc/86/76/54/660867654.db2.gz SGNFWJUUHVNIBA-UHFFFAOYSA-N -1 0 369.399 -0.027 20 0 FBADRM CCCOc1ccc(S(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)cc1 ZINC000785192495 660868127 /nfs/dbraw/zinc/86/81/27/660868127.db2.gz IDZTWDJJJLQRKG-UHFFFAOYSA-N -1 0 367.387 -0.329 20 0 FBADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)Cc2cccc(F)c2)c1=O ZINC000785239632 660868218 /nfs/dbraw/zinc/86/82/18/660868218.db2.gz RHZWCEPWSSGDFQ-UHFFFAOYSA-N -1 0 355.347 -0.668 20 0 FBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000785243581 660868172 /nfs/dbraw/zinc/86/81/72/660868172.db2.gz NPQLIMAMOXHDGX-UHFFFAOYSA-N -1 0 350.393 -0.193 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(F)c2)nn1 ZINC000785244328 660868198 /nfs/dbraw/zinc/86/81/98/660868198.db2.gz UHCGEAOYECQPIG-UHFFFAOYSA-N -1 0 369.378 -0.235 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)Cc2cccc(F)c2)C(=O)C1=O ZINC000785245545 660868287 /nfs/dbraw/zinc/86/82/87/660868287.db2.gz JRDAGQBXVAXECN-UHFFFAOYSA-N -1 0 371.390 -0.538 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(F)c2)c(=O)n(C)c1=O ZINC000785250495 660868371 /nfs/dbraw/zinc/86/83/71/660868371.db2.gz PJHQBGLEZPVMQT-UHFFFAOYSA-N -1 0 355.347 -0.517 20 0 FBADRM CCO[N-]C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000785357425 660869514 /nfs/dbraw/zinc/86/95/14/660869514.db2.gz GPEMDKARERYLKS-UHFFFAOYSA-N -1 0 357.388 -0.286 20 0 FBADRM CO[N-]C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000785358292 660869525 /nfs/dbraw/zinc/86/95/25/660869525.db2.gz HNANCEAGESUICK-UHFFFAOYSA-N -1 0 356.404 -0.761 20 0 FBADRM CCO[N-]C(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000785358849 660869547 /nfs/dbraw/zinc/86/95/47/660869547.db2.gz QAHGJSASTRBYHW-UHFFFAOYSA-N -1 0 350.375 -0.037 20 0 FBADRM CCO[N-]C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000785359026 660869522 /nfs/dbraw/zinc/86/95/22/660869522.db2.gz UPQWDQQMQJBCLQ-UHFFFAOYSA-N -1 0 357.388 -0.286 20 0 FBADRM CCO[N-]C(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC000785359181 660869571 /nfs/dbraw/zinc/86/95/71/660869571.db2.gz WOMNNGFYJJVSQN-UHFFFAOYSA-N -1 0 351.359 -0.070 20 0 FBADRM CO[N-]C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 ZINC000785368176 660869463 /nfs/dbraw/zinc/86/94/63/660869463.db2.gz AVJVFPAPSSDGLU-UHFFFAOYSA-N -1 0 370.431 -0.371 20 0 FBADRM CO[N-]C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C ZINC000785368379 660869539 /nfs/dbraw/zinc/86/95/39/660869539.db2.gz FRDPZNXZQHPOSL-UHFFFAOYSA-N -1 0 357.388 -0.368 20 0 FBADRM CO[N-]C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000785368815 660869501 /nfs/dbraw/zinc/86/95/01/660869501.db2.gz JUJYYEYFNVKBPD-UHFFFAOYSA-N -1 0 356.404 -0.761 20 0 FBADRM NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000785381607 660869602 /nfs/dbraw/zinc/86/96/02/660869602.db2.gz GMVFWZZVXDFRNP-LLVKDONJSA-N -1 0 361.351 -0.014 20 0 FBADRM NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000785381616 660869438 /nfs/dbraw/zinc/86/94/38/660869438.db2.gz GMVFWZZVXDFRNP-NSHDSACASA-N -1 0 361.351 -0.014 20 0 FBADRM CN1CCN(c2ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc2Cl)CC1 ZINC000785383032 660869508 /nfs/dbraw/zinc/86/95/08/660869508.db2.gz ATOOUAIZERVOPJ-UHFFFAOYSA-N -1 0 369.809 -0.437 20 0 FBADRM C[C@@H]1CN(c2ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc2)C[C@@H](C)O1 ZINC000785383088 660869534 /nfs/dbraw/zinc/86/95/34/660869534.db2.gz BFUCMKXAOPQOEC-GHMZBOCLSA-N -1 0 350.375 -0.228 20 0 FBADRM C[C@@H]1CN(c2ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc2)C[C@H](C)O1 ZINC000785383098 660869590 /nfs/dbraw/zinc/86/95/90/660869590.db2.gz BFUCMKXAOPQOEC-PHIMTYICSA-N -1 0 350.375 -0.228 20 0 FBADRM C[C@H]1CN(c2ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc2)C[C@H](C)O1 ZINC000785383102 660869544 /nfs/dbraw/zinc/86/95/44/660869544.db2.gz BFUCMKXAOPQOEC-QWRGUYRKSA-N -1 0 350.375 -0.228 20 0 FBADRM CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)[N-]OCC(N)=O)c1 ZINC000785383403 660869588 /nfs/dbraw/zinc/86/95/88/660869588.db2.gz FTLMBSKBVOECGE-SECBINFHSA-N -1 0 372.403 -0.765 20 0 FBADRM CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)[N-]OCC(N)=O)c1 ZINC000785383409 660869582 /nfs/dbraw/zinc/86/95/82/660869582.db2.gz FTLMBSKBVOECGE-VIFPVBQESA-N -1 0 372.403 -0.765 20 0 FBADRM COC(=O)c1ccc(C(F)(F)F)cc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000785384096 660869606 /nfs/dbraw/zinc/86/96/06/660869606.db2.gz HDYSUILHNDIYFF-UHFFFAOYSA-N -1 0 363.248 -0.036 20 0 FBADRM COC(=O)CCSc1cccc(NC(=O)C(=O)[N-]OCC(N)=O)c1 ZINC000785384275 660869555 /nfs/dbraw/zinc/86/95/55/660869555.db2.gz IFKPBWDJQRKXKZ-UHFFFAOYSA-N -1 0 355.372 -0.187 20 0 FBADRM COC(=O)COc1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc1Cl ZINC000785385233 660869600 /nfs/dbraw/zinc/86/96/00/660869600.db2.gz LWAQRAHSHSLOCT-UHFFFAOYSA-N -1 0 359.722 -0.637 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccccc1I ZINC000785385288 660869569 /nfs/dbraw/zinc/86/95/69/660869569.db2.gz MKALJOQKGDXQPG-UHFFFAOYSA-N -1 0 363.111 -0.237 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000785385325 660869435 /nfs/dbraw/zinc/86/94/35/660869435.db2.gz MTGHXWYNRKAOSB-HSZRJFAPSA-N -1 0 353.278 -0.214 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000785385331 660869477 /nfs/dbraw/zinc/86/94/77/660869477.db2.gz MTGHXWYNRKAOSB-QHCPKHFHSA-N -1 0 353.278 -0.214 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000785385776 660869480 /nfs/dbraw/zinc/86/94/80/660869480.db2.gz PFCOPUDALFTKSY-UHFFFAOYSA-N -1 0 351.359 -0.036 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000785386183 660869819 /nfs/dbraw/zinc/86/98/19/660869819.db2.gz TUGWSWNXNKLNRX-UHFFFAOYSA-N -1 0 356.766 -0.352 20 0 FBADRM COC(=O)c1cc(Br)ccc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000785387011 660869915 /nfs/dbraw/zinc/86/99/15/660869915.db2.gz XBBSZDMOYMIQKB-UHFFFAOYSA-N -1 0 374.147 -0.293 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000785387102 660869926 /nfs/dbraw/zinc/86/99/26/660869926.db2.gz XFVHHGJTEPFQGU-UHFFFAOYSA-N -1 0 368.243 -0.168 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000785387133 660869907 /nfs/dbraw/zinc/86/99/07/660869907.db2.gz XVJJXDBRNOAPBR-UHFFFAOYSA-N -1 0 374.147 -0.308 20 0 FBADRM C[C@@H]1CN(c2ccccc2NC(=O)C(=O)[N-]OCC(N)=O)C[C@@H](C)O1 ZINC000785387155 660869842 /nfs/dbraw/zinc/86/98/42/660869842.db2.gz YPYGAPOLEHNPOH-GHMZBOCLSA-N -1 0 350.375 -0.228 20 0 FBADRM C[C@@H]1CN(c2ccccc2NC(=O)C(=O)[N-]OCC(N)=O)C[C@H](C)O1 ZINC000785387157 660869898 /nfs/dbraw/zinc/86/98/98/660869898.db2.gz YPYGAPOLEHNPOH-PHIMTYICSA-N -1 0 350.375 -0.228 20 0 FBADRM C[C@H]1CN(c2ccccc2NC(=O)C(=O)[N-]OCC(N)=O)C[C@H](C)O1 ZINC000785387159 660869916 /nfs/dbraw/zinc/86/99/16/660869916.db2.gz YPYGAPOLEHNPOH-QWRGUYRKSA-N -1 0 350.375 -0.228 20 0 FBADRM COC(=O)CSCc1cccc(NC(=O)C(=O)[N-]OCC(N)=O)c1 ZINC000785387188 660869925 /nfs/dbraw/zinc/86/99/25/660869925.db2.gz ZYTDHJMBTMNLIP-UHFFFAOYSA-N -1 0 355.372 -0.436 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cccc(I)c1 ZINC000785387277 660869825 /nfs/dbraw/zinc/86/98/25/660869825.db2.gz BBMJUEHJTWAUEY-UHFFFAOYSA-N -1 0 363.111 -0.237 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc1 ZINC000785387278 660869880 /nfs/dbraw/zinc/86/98/80/660869880.db2.gz BBWGFBOYCFGNSZ-UHFFFAOYSA-N -1 0 372.403 -0.811 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1 ZINC000785387694 660869883 /nfs/dbraw/zinc/86/98/83/660869883.db2.gz FWGBDSTXNZGIQO-UHFFFAOYSA-N -1 0 368.243 -0.168 20 0 FBADRM COC(=O)c1cc(NC(=O)C(=O)[N-]OCC(N)=O)ccc1Br ZINC000785387701 660869757 /nfs/dbraw/zinc/86/97/57/660869757.db2.gz GCHKVTSJMLFOHR-UHFFFAOYSA-N -1 0 374.147 -0.293 20 0 FBADRM CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(=O)[N-]OCC(N)=O)c1 ZINC000785387745 660869872 /nfs/dbraw/zinc/86/98/72/660869872.db2.gz GLGHLFVUXSHGGV-UHFFFAOYSA-N -1 0 356.766 -0.050 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000785387752 660869924 /nfs/dbraw/zinc/86/99/24/660869924.db2.gz GVACEZCVRJUHAI-UHFFFAOYSA-N -1 0 354.750 -0.062 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000785387822 660869690 /nfs/dbraw/zinc/86/96/90/660869690.db2.gz HVRDVJAKHZDTRC-JTQLQIEISA-N -1 0 355.322 -0.145 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000785387825 660869797 /nfs/dbraw/zinc/86/97/97/660869797.db2.gz HVRDVJAKHZDTRC-SNVBAGLBSA-N -1 0 355.322 -0.145 20 0 FBADRM CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)[N-]OCC(N)=O)c1 ZINC000785387937 660869900 /nfs/dbraw/zinc/86/99/00/660869900.db2.gz KANYWWIHVAEFJD-UHFFFAOYSA-N -1 0 372.403 -0.763 20 0 FBADRM CCOC(=O)c1c2c(sc1NC(=O)C(=O)[N-]OCC(N)=O)CCC2 ZINC000785388567 660869728 /nfs/dbraw/zinc/86/97/28/660869728.db2.gz LGUMLFHLPKVTMO-UHFFFAOYSA-N -1 0 355.372 -0.115 20 0 FBADRM CC(C)OC(=O)NCc1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc1 ZINC000785389325 660869910 /nfs/dbraw/zinc/86/99/10/660869910.db2.gz KAQGHCUCGBYYON-UHFFFAOYSA-N -1 0 352.347 -0.207 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000785389431 660869741 /nfs/dbraw/zinc/86/97/41/660869741.db2.gz RWSFFAYOTOOGOV-UHFFFAOYSA-N -1 0 350.375 -0.967 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(I)cc1 ZINC000785389674 660869839 /nfs/dbraw/zinc/86/98/39/660869839.db2.gz VGLNNWAVRDKVCP-UHFFFAOYSA-N -1 0 363.111 -0.237 20 0 FBADRM CCCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc1 ZINC000785390085 660869919 /nfs/dbraw/zinc/86/99/19/660869919.db2.gz VMMAECOZOPVPTK-UHFFFAOYSA-N -1 0 372.403 -0.300 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)[N-]OCC(N)=O)c(OC(F)F)c1 ZINC000785390118 660869905 /nfs/dbraw/zinc/86/99/05/660869905.db2.gz XJEFHGJLKFAMNR-UHFFFAOYSA-N -1 0 361.257 -0.454 20 0 FBADRM Cn1nnc(C[N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)n1 ZINC000785404209 660870119 /nfs/dbraw/zinc/87/01/19/660870119.db2.gz DSRRAFPMGSKOTR-UHFFFAOYSA-N -1 0 365.824 -0.255 20 0 FBADRM Cn1nnc(C[N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)n1 ZINC000785405713 660870269 /nfs/dbraw/zinc/87/02/69/660870269.db2.gz YKUGAJWAMDMZDE-UHFFFAOYSA-N -1 0 371.853 -0.193 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCc1ccccc1CN1CCOCC1 ZINC000785441804 660870284 /nfs/dbraw/zinc/87/02/84/660870284.db2.gz HDXHPIMQXCBYQO-UHFFFAOYSA-N -1 0 351.403 -0.171 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000785483429 660870399 /nfs/dbraw/zinc/87/03/99/660870399.db2.gz YZWGDXYQJUGDPK-UHFFFAOYSA-N -1 0 351.403 -0.171 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000785524818 660870413 /nfs/dbraw/zinc/87/04/13/660870413.db2.gz QPRZGLZOYZXQEV-JTQLQIEISA-N -1 0 359.404 -0.405 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000785524819 660870511 /nfs/dbraw/zinc/87/05/11/660870511.db2.gz QPRZGLZOYZXQEV-SNVBAGLBSA-N -1 0 359.404 -0.405 20 0 FBADRM CSCCO[N-]C(=O)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000785525190 660870496 /nfs/dbraw/zinc/87/04/96/660870496.db2.gz SYIVQYISHKWGME-SECBINFHSA-N -1 0 361.445 -0.078 20 0 FBADRM CSCCO[N-]C(=O)C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000785525192 660870494 /nfs/dbraw/zinc/87/04/94/660870494.db2.gz SYIVQYISHKWGME-VIFPVBQESA-N -1 0 361.445 -0.078 20 0 FBADRM COCCO[N-]C(=O)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000785575731 660870737 /nfs/dbraw/zinc/87/07/37/660870737.db2.gz WWZOVFIHFAWFGT-HNNXBMFYSA-N -1 0 351.403 -0.130 20 0 FBADRM COCCO[N-]C(=O)C(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000785575734 660870894 /nfs/dbraw/zinc/87/08/94/660870894.db2.gz WWZOVFIHFAWFGT-OAHLLOKOSA-N -1 0 351.403 -0.130 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 ZINC000785641921 660871230 /nfs/dbraw/zinc/87/12/30/660871230.db2.gz DTYCEIZNTZSVCR-UHFFFAOYSA-N -1 0 373.431 -0.564 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)[N-]OCCOC)cc1 ZINC000785646412 660871166 /nfs/dbraw/zinc/87/11/66/660871166.db2.gz WYGQURVPXYGYKZ-UHFFFAOYSA-N -1 0 359.404 -0.954 20 0 FBADRM COCCO[N-]C(=O)C(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000785646580 660871048 /nfs/dbraw/zinc/87/10/48/660871048.db2.gz LDMFBAATKGAMCX-CYBMUJFWSA-N -1 0 355.391 -0.228 20 0 FBADRM COCCO[N-]C(=O)C(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC000785646590 660871137 /nfs/dbraw/zinc/87/11/37/660871137.db2.gz LDMFBAATKGAMCX-ZDUSSCGKSA-N -1 0 355.391 -0.228 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000785862651 660873465 /nfs/dbraw/zinc/87/34/65/660873465.db2.gz VNKQRMJEXSKSBP-UHFFFAOYSA-N -1 0 352.391 -0.381 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cn3ccnc3s2)cc1C(N)=O ZINC000785876742 660873787 /nfs/dbraw/zinc/87/37/87/660873787.db2.gz PEFCASYFOWGEDS-UHFFFAOYSA-N -1 0 353.385 -0.048 20 0 FBADRM Cn1cc(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cn1 ZINC000785954285 660874045 /nfs/dbraw/zinc/87/40/45/660874045.db2.gz BMHJERGKCSXVJH-UHFFFAOYSA-N -1 0 362.367 -0.307 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C1=O ZINC000785954351 660873910 /nfs/dbraw/zinc/87/39/10/660873910.db2.gz CKGKRTVEIKHDLX-JTQLQIEISA-N -1 0 365.367 -0.804 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C1=O ZINC000785954359 660874017 /nfs/dbraw/zinc/87/40/17/660874017.db2.gz CKGKRTVEIKHDLX-SNVBAGLBSA-N -1 0 365.367 -0.804 20 0 FBADRM COCCCOCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000785955249 660874003 /nfs/dbraw/zinc/87/40/03/660874003.db2.gz HTEDSDVZAHQULE-UHFFFAOYSA-N -1 0 370.383 -0.230 20 0 FBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000785956625 660873968 /nfs/dbraw/zinc/87/39/68/660873968.db2.gz OPFRVBJBUXJMQF-UHFFFAOYSA-N -1 0 353.356 -0.804 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)nnn1C ZINC000785956651 660874012 /nfs/dbraw/zinc/87/40/12/660874012.db2.gz OSXPZTDBEBRWFN-UHFFFAOYSA-N -1 0 363.355 -0.532 20 0 FBADRM COCCOCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000785956773 660873991 /nfs/dbraw/zinc/87/39/91/660873991.db2.gz ILJKZRFLTUZVOP-UHFFFAOYSA-N -1 0 370.383 -0.230 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)CN3CCOCC3)cc2C1=O ZINC000785957891 660874038 /nfs/dbraw/zinc/87/40/38/660874038.db2.gz KSLJCPICJOZNJH-UHFFFAOYSA-N -1 0 367.383 -0.951 20 0 FBADRM CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000785958320 660873907 /nfs/dbraw/zinc/87/39/07/660873907.db2.gz NRGHVAOPCZUSLV-SSDOTTSWSA-N -1 0 353.356 -0.758 20 0 FBADRM CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000785958330 660873965 /nfs/dbraw/zinc/87/39/65/660873965.db2.gz NRGHVAOPCZUSLV-ZETCQYMHSA-N -1 0 353.356 -0.758 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)[C@@H]3CCNC(=O)C3)cc2C1=O ZINC000785958389 660874019 /nfs/dbraw/zinc/87/40/19/660874019.db2.gz PMYBBRUTWPZZEY-MRVPVSSYSA-N -1 0 365.367 -0.757 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)[C@H]3CCNC(=O)C3)cc2C1=O ZINC000785958390 660874008 /nfs/dbraw/zinc/87/40/08/660874008.db2.gz PMYBBRUTWPZZEY-QMMMGPOBSA-N -1 0 365.367 -0.757 20 0 FBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000785960179 660873971 /nfs/dbraw/zinc/87/39/71/660873971.db2.gz YOYMVBNDIZFTCR-UHFFFAOYSA-N -1 0 369.355 -0.537 20 0 FBADRM COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000785961272 660873949 /nfs/dbraw/zinc/87/39/49/660873949.db2.gz AQASBEXKBZFUPQ-MRVPVSSYSA-N -1 0 368.367 -0.084 20 0 FBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000785961274 660874040 /nfs/dbraw/zinc/87/40/40/660874040.db2.gz AQASBEXKBZFUPQ-QMMMGPOBSA-N -1 0 368.367 -0.084 20 0 FBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000785961396 660873943 /nfs/dbraw/zinc/87/39/43/660873943.db2.gz DVFJAPAQTMNDOS-UHFFFAOYSA-N -1 0 366.351 -0.330 20 0 FBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000785962487 660873900 /nfs/dbraw/zinc/87/39/00/660873900.db2.gz BCGURBUBSFGSMA-UHFFFAOYSA-N -1 0 367.383 -0.366 20 0 FBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000785962650 660874032 /nfs/dbraw/zinc/87/40/32/660874032.db2.gz OILKKSZTXZKILJ-ZETCQYMHSA-N -1 0 369.355 -0.538 20 0 FBADRM Cn1ccc(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)n1 ZINC000785963232 660873984 /nfs/dbraw/zinc/87/39/84/660873984.db2.gz QVDNQXKVJXRUQX-UHFFFAOYSA-N -1 0 362.367 -0.307 20 0 FBADRM CCOCCOCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000785963349 660874223 /nfs/dbraw/zinc/87/42/23/660874223.db2.gz SQCNWKGDBQPXKO-UHFFFAOYSA-N -1 0 370.383 -0.230 20 0 FBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000785963447 660874271 /nfs/dbraw/zinc/87/42/71/660874271.db2.gz JUCJURNQZZVKIC-UHFFFAOYSA-N -1 0 369.355 -0.585 20 0 FBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000785963765 660874261 /nfs/dbraw/zinc/87/42/61/660874261.db2.gz MGYFYPXRRODKBL-MRVPVSSYSA-N -1 0 367.383 -0.368 20 0 FBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000785963779 660874210 /nfs/dbraw/zinc/87/42/10/660874210.db2.gz MGYFYPXRRODKBL-QMMMGPOBSA-N -1 0 367.383 -0.368 20 0 FBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000785965447 660874302 /nfs/dbraw/zinc/87/43/02/660874302.db2.gz TZOSOEXZCCCDAJ-UHFFFAOYSA-N -1 0 355.328 -0.927 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)[C@@H]3CCC(=O)N3C)cc2C1=O ZINC000785967416 660874291 /nfs/dbraw/zinc/87/42/91/660874291.db2.gz LKVZWIIWLYAXIO-NSHDSACASA-N -1 0 365.367 -0.662 20 0 FBADRM CCN(c1ccccc1C)S(=O)(=O)[N-]C(=O)Cn1ncn(C)c1=O ZINC000785972490 660874237 /nfs/dbraw/zinc/87/42/37/660874237.db2.gz NPCPNASSKHYOAO-UHFFFAOYSA-N -1 0 353.404 -0.222 20 0 FBADRM CCN(c1ccccc1C)S(=O)(=O)[N-]C(=O)c1cn(CC(N)=O)nn1 ZINC000785976160 660874324 /nfs/dbraw/zinc/87/43/24/660874324.db2.gz VUVIICXUMDNFIX-UHFFFAOYSA-N -1 0 366.403 -0.427 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000786083270 660875354 /nfs/dbraw/zinc/87/53/54/660875354.db2.gz JTDCQSPETZGXAQ-UHFFFAOYSA-N -1 0 359.404 -0.753 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000786084318 660875191 /nfs/dbraw/zinc/87/51/91/660875191.db2.gz RCKFVHWIOQGLSL-UHFFFAOYSA-N -1 0 373.431 -0.363 20 0 FBADRM Cc1nc(Cn2cc(C(=O)[N-]S(=O)(=O)c3c(C)noc3C)nn2)no1 ZINC000786261028 660876375 /nfs/dbraw/zinc/87/63/75/660876375.db2.gz IJAQULXRMPSMQL-UHFFFAOYSA-N -1 0 367.347 -0.259 20 0 FBADRM CC(=O)N[C@H](CC1CCC1)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000786272674 660876726 /nfs/dbraw/zinc/87/67/26/660876726.db2.gz KMSZQPMEGMXQRJ-GFCCVEGCSA-N -1 0 370.431 -0.376 20 0 FBADRM Cc1nc(Cn2nnc(C(=O)[N-]S(=O)(=O)c3cccnc3)c2C)no1 ZINC000786274135 660876675 /nfs/dbraw/zinc/87/66/75/660876675.db2.gz XTACVYVUGDHPJN-UHFFFAOYSA-N -1 0 363.359 -0.160 20 0 FBADRM Cc1nc(Cn2nnc(C(=O)[N-]S(=O)(=O)N3CCCC3)c2C)no1 ZINC000786345322 660877057 /nfs/dbraw/zinc/87/70/57/660877057.db2.gz ZEGBSCJKPWLDEY-UHFFFAOYSA-N -1 0 355.380 -0.603 20 0 FBADRM Cc1nc(Cn2nnc(C(=O)[N-]S(=O)(=O)N3CCCCC3)c2C)no1 ZINC000786345535 660877103 /nfs/dbraw/zinc/87/71/03/660877103.db2.gz PGEBFYKVGFQZRC-UHFFFAOYSA-N -1 0 369.407 -0.213 20 0 FBADRM Cc1nc(Cn2cc(C(=O)[N-]S(=O)(=O)N3CCCCC3)nn2)no1 ZINC000786346076 660877074 /nfs/dbraw/zinc/87/70/74/660877074.db2.gz SEWMGGBQFNWWAJ-UHFFFAOYSA-N -1 0 355.380 -0.522 20 0 FBADRM Cc1nc(Cn2cc(C(=O)[N-]S(=O)(=O)C[C@@H]3CCCCO3)nn2)no1 ZINC000786384061 660877368 /nfs/dbraw/zinc/87/73/68/660877368.db2.gz RPNLVHYLZXMESK-JTQLQIEISA-N -1 0 370.391 -0.353 20 0 FBADRM Cc1nc(Cn2cc(C(=O)[N-]S(=O)(=O)C[C@H]3CCCCO3)nn2)no1 ZINC000786384084 660877328 /nfs/dbraw/zinc/87/73/28/660877328.db2.gz RPNLVHYLZXMESK-SNVBAGLBSA-N -1 0 370.391 -0.353 20 0 FBADRM Cc1nc(Cn2cc(C(=O)[N-]S(=O)(=O)c3cc(C)ccn3)nn2)no1 ZINC000786417980 660877665 /nfs/dbraw/zinc/87/76/65/660877665.db2.gz NNXGQCIQSTVARX-UHFFFAOYSA-N -1 0 363.359 -0.160 20 0 FBADRM Cc1nc(Cn2nnc(C(=O)[N-]S(=O)(=O)c3ccccn3)c2C)no1 ZINC000786419258 660877554 /nfs/dbraw/zinc/87/75/54/660877554.db2.gz CWRJCXGPHOCQEK-UHFFFAOYSA-N -1 0 363.359 -0.160 20 0 FBADRM CN1C[C@@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)c2ccccc2C1=O ZINC000786426745 660877672 /nfs/dbraw/zinc/87/76/72/660877672.db2.gz FPBMTNFBEYQXIQ-CYBMUJFWSA-N -1 0 353.400 -0.451 20 0 FBADRM CN1C[C@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)c2ccccc2C1=O ZINC000786426746 660877641 /nfs/dbraw/zinc/87/76/41/660877641.db2.gz FPBMTNFBEYQXIQ-ZDUSSCGKSA-N -1 0 353.400 -0.451 20 0 FBADRM CN(C)Cc1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc1Br ZINC000786427543 660877501 /nfs/dbraw/zinc/87/75/01/660877501.db2.gz NQJLCTZOBXRDGG-UHFFFAOYSA-N -1 0 373.207 -0.018 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CN(C)C(=O)c2ccccc21 ZINC000786456485 659966651 /nfs/dbraw/zinc/96/66/51/659966651.db2.gz KYIZWVHXMOIROH-CYBMUJFWSA-N -1 0 355.416 -0.205 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CN(C)C(=O)c2ccccc21 ZINC000786456488 659966590 /nfs/dbraw/zinc/96/65/90/659966590.db2.gz KYIZWVHXMOIROH-ZDUSSCGKSA-N -1 0 355.416 -0.205 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)nc1 ZINC000786460546 660877935 /nfs/dbraw/zinc/87/79/35/660877935.db2.gz VXJAQJUBQXSVKS-UHFFFAOYSA-N -1 0 354.388 -0.010 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H](CC1CCC1)NC(C)=O ZINC000786471211 660877980 /nfs/dbraw/zinc/87/79/80/660877980.db2.gz LRFSJAFQNAWAIF-CYBMUJFWSA-N -1 0 350.437 -0.210 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CN(C)C(=O)c2ccccc21 ZINC000786473167 660877804 /nfs/dbraw/zinc/87/78/04/660877804.db2.gz ZBYPSCAENNAEKB-AWEZNQCLSA-N -1 0 370.427 -0.035 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CN(C)C(=O)c2ccccc21 ZINC000786473170 660877847 /nfs/dbraw/zinc/87/78/47/660877847.db2.gz ZBYPSCAENNAEKB-CQSZACIVSA-N -1 0 370.427 -0.035 20 0 FBADRM CCc1c(C(=O)[N-]S(=O)(=O)CC(N)=O)nnn1Cc1ccc(F)cc1 ZINC000786486464 660878184 /nfs/dbraw/zinc/87/81/84/660878184.db2.gz BFUZRWGTAIHDLE-UHFFFAOYSA-N -1 0 369.378 -0.427 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCCOc1ccc2c(c1)NC(=O)CC2 ZINC000786486517 660878152 /nfs/dbraw/zinc/87/81/52/660878152.db2.gz DILGVKFXNJCORZ-UHFFFAOYSA-N -1 0 369.399 -0.338 20 0 FBADRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)cc(C)c1F ZINC000786495863 660878221 /nfs/dbraw/zinc/87/82/21/660878221.db2.gz GLOBZFWCINZSQO-UHFFFAOYSA-N -1 0 355.351 -0.362 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)Cc1cccc(N2CCCC2=O)c1 ZINC000786501733 660878235 /nfs/dbraw/zinc/87/82/35/660878235.db2.gz UKZWYMZQPQYREH-UHFFFAOYSA-N -1 0 363.399 -0.011 20 0 FBADRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)cc(C)c1F ZINC000786509648 660878217 /nfs/dbraw/zinc/87/82/17/660878217.db2.gz OFPHOTGBVSDOBT-UHFFFAOYSA-N -1 0 369.374 -0.041 20 0 FBADRM Cc1cc(S(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)cc(C)c1F ZINC000786511086 660878488 /nfs/dbraw/zinc/87/84/88/660878488.db2.gz YPFYKSLDQUDZMI-UHFFFAOYSA-N -1 0 369.374 -0.192 20 0 FBADRM Cc1nc(Cn2cc(C(=O)[N-]S(=O)(=O)c3ncccc3F)nn2)no1 ZINC000786515211 660878493 /nfs/dbraw/zinc/87/84/93/660878493.db2.gz CHMCXGZDNDHAAA-UHFFFAOYSA-N -1 0 367.322 -0.329 20 0 FBADRM Cc1nc(Cn2cc(C(=O)[N-]S(=O)(=O)c3cnc(C)s3)nn2)no1 ZINC000786516751 660878503 /nfs/dbraw/zinc/87/85/03/660878503.db2.gz BXTXZCLVXFREJJ-UHFFFAOYSA-N -1 0 369.388 -0.099 20 0 FBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)c1cn(Cc2noc(C)n2)nn1 ZINC000786529090 660878438 /nfs/dbraw/zinc/87/84/38/660878438.db2.gz MLRMDMDJUGSGAE-UHFFFAOYSA-N -1 0 372.407 -0.107 20 0 FBADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)Cn1ccc(=O)n(C)c1=O ZINC000786643526 660879155 /nfs/dbraw/zinc/87/91/55/660879155.db2.gz OIQMTGRHSNBGRY-UHFFFAOYSA-N -1 0 351.384 -0.386 20 0 FBADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000786645020 660879158 /nfs/dbraw/zinc/87/91/58/660879158.db2.gz JPZSDOMQNQDRPX-UHFFFAOYSA-N -1 0 351.384 -0.235 20 0 FBADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)CN1CCN(CC)C(=O)C1=O ZINC000786646567 660879143 /nfs/dbraw/zinc/87/91/43/660879143.db2.gz ZBCUBNNLZYFTDK-UHFFFAOYSA-N -1 0 367.427 -0.255 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000786661910 660879470 /nfs/dbraw/zinc/87/94/70/660879470.db2.gz DILFTFOLHNFVBX-UHFFFAOYSA-N -1 0 361.445 -0.508 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000786662556 660879423 /nfs/dbraw/zinc/87/94/23/660879423.db2.gz JTYVFTGHSMIUGT-UHFFFAOYSA-N -1 0 359.404 -0.835 20 0 FBADRM O=C([N-]OC1CCOCC1)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000786664185 660879403 /nfs/dbraw/zinc/87/94/03/660879403.db2.gz XMWGHFLYTDGZRW-UHFFFAOYSA-N -1 0 371.415 -0.692 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000786766443 660880558 /nfs/dbraw/zinc/88/05/58/660880558.db2.gz WNIMQCWDPSJBSH-JTQLQIEISA-N -1 0 353.297 -0.809 20 0 FBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000786767622 660880658 /nfs/dbraw/zinc/88/06/58/660880658.db2.gz USNOVROIUOKZFA-APPZFPTMSA-N -1 0 356.297 -0.090 20 0 FBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000786767624 660880511 /nfs/dbraw/zinc/88/05/11/660880511.db2.gz USNOVROIUOKZFA-CBAPKCEASA-N -1 0 356.297 -0.090 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)OCC(=O)N[C@H](C)C(=O)N(C)C ZINC000786769150 660880777 /nfs/dbraw/zinc/88/07/77/660880777.db2.gz ATECAGCGBBVFLR-SCZZXKLOSA-N -1 0 369.340 -0.174 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C ZINC000786769152 660881036 /nfs/dbraw/zinc/88/10/36/660881036.db2.gz ATECAGCGBBVFLR-WPRPVWTQSA-N -1 0 369.340 -0.174 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)OCc1cc(=O)n(C)c(=O)n1C ZINC000786777572 660880839 /nfs/dbraw/zinc/88/08/39/660880839.db2.gz POKCHNDDPDBQTR-JTQLQIEISA-N -1 0 365.308 -0.170 20 0 FBADRM COCCOc1ccc(F)cc1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O ZINC000786864245 660881188 /nfs/dbraw/zinc/88/11/88/660881188.db2.gz XONRPZNKJWHZBI-UHFFFAOYSA-N -1 0 361.351 -0.062 20 0 FBADRM Cn1cc(C[C@@H](O)C(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)cn1 ZINC000786866719 660881325 /nfs/dbraw/zinc/88/13/25/660881325.db2.gz ZRISWIBJYRGDBV-GFCCVEGCSA-N -1 0 364.383 -0.111 20 0 FBADRM Cn1cc(C[C@H](O)C(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)cn1 ZINC000786866720 660881219 /nfs/dbraw/zinc/88/12/19/660881219.db2.gz ZRISWIBJYRGDBV-LBPRGKRZSA-N -1 0 364.383 -0.111 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)s1 ZINC000786946390 660882159 /nfs/dbraw/zinc/88/21/59/660882159.db2.gz QSYVIJCZURTAJL-HTQZYQBOSA-N -1 0 359.429 -0.056 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C(N)=O)C2)s1 ZINC000786946392 660882144 /nfs/dbraw/zinc/88/21/44/660882144.db2.gz QSYVIJCZURTAJL-JGVFFNPUSA-N -1 0 359.429 -0.056 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(N)=O)C2)s1 ZINC000786946395 660882091 /nfs/dbraw/zinc/88/20/91/660882091.db2.gz QSYVIJCZURTAJL-SFYZADRCSA-N -1 0 359.429 -0.056 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C(N)=O)C2)s1 ZINC000786946397 660882197 /nfs/dbraw/zinc/88/21/97/660882197.db2.gz QSYVIJCZURTAJL-YUMQZZPRSA-N -1 0 359.429 -0.056 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000786984342 660882146 /nfs/dbraw/zinc/88/21/46/660882146.db2.gz HFULMYLCFVKDLZ-UHFFFAOYSA-N -1 0 351.285 -0.282 20 0 FBADRM O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1n[nH]c(=O)[n-]1 ZINC000786997941 660882503 /nfs/dbraw/zinc/88/25/03/660882503.db2.gz AHMFFQORENBBPK-LLVKDONJSA-N -1 0 353.379 -0.733 20 0 FBADRM O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1n[nH]c(=O)[n-]1 ZINC000786997943 660882479 /nfs/dbraw/zinc/88/24/79/660882479.db2.gz AHMFFQORENBBPK-NSHDSACASA-N -1 0 353.379 -0.733 20 0 FBADRM COC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)CNC(C)=O)s1 ZINC000787016925 660882985 /nfs/dbraw/zinc/88/29/85/660882985.db2.gz LLKJARPKMFLRCL-UHFFFAOYSA-N -1 0 363.417 -0.412 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F ZINC000787082098 660883208 /nfs/dbraw/zinc/88/32/08/660883208.db2.gz LTHLCIUXLNCACT-GFCCVEGCSA-N -1 0 368.312 -0.630 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F ZINC000787082111 660883108 /nfs/dbraw/zinc/88/31/08/660883108.db2.gz LTHLCIUXLNCACT-LBPRGKRZSA-N -1 0 368.312 -0.630 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)C(=O)[N-]OCCOCC)CC1 ZINC000787092505 660883239 /nfs/dbraw/zinc/88/32/39/660883239.db2.gz FTLMOHSCYBNDQK-UHFFFAOYSA-N -1 0 365.452 -0.609 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)C(=O)[N-]OCCSC)CC1 ZINC000787110218 660883151 /nfs/dbraw/zinc/88/31/51/660883151.db2.gz ZICMGEYDVNTDRK-UHFFFAOYSA-N -1 0 367.493 -0.282 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000787174546 660883710 /nfs/dbraw/zinc/88/37/10/660883710.db2.gz JMQGNSVGLADEPF-UHFFFAOYSA-N -1 0 353.375 -0.536 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000787189334 660883810 /nfs/dbraw/zinc/88/38/10/660883810.db2.gz DFJCJAKUYSGOJG-UHFFFAOYSA-N -1 0 352.391 -0.381 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000787203509 660883881 /nfs/dbraw/zinc/88/38/81/660883881.db2.gz QRIHAVXQLMPYGK-GFCCVEGCSA-N -1 0 352.391 -0.383 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000787203510 660883914 /nfs/dbraw/zinc/88/39/14/660883914.db2.gz QRIHAVXQLMPYGK-LBPRGKRZSA-N -1 0 352.391 -0.383 20 0 FBADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCCNS(=O)(=O)Cc2ccccc2)O1 ZINC000787204338 660883787 /nfs/dbraw/zinc/88/37/87/660883787.db2.gz HMHYJSUAIPHSLT-CHWSQXEVSA-N -1 0 356.400 -0.146 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCNS(=O)(=O)Cc2ccccc2)O1 ZINC000787204339 660883859 /nfs/dbraw/zinc/88/38/59/660883859.db2.gz HMHYJSUAIPHSLT-OLZOCXBDSA-N -1 0 356.400 -0.146 20 0 FBADRM O=C([O-])[C@H]1CC[C@@H](C(=O)NCCNS(=O)(=O)Cc2ccccc2)O1 ZINC000787204340 660883849 /nfs/dbraw/zinc/88/38/49/660883849.db2.gz HMHYJSUAIPHSLT-QWHCGFSZSA-N -1 0 356.400 -0.146 20 0 FBADRM O=C([O-])[C@@H]1CC[C@@H](C(=O)NCCNS(=O)(=O)Cc2ccccc2)O1 ZINC000787204341 660884005 /nfs/dbraw/zinc/88/40/05/660884005.db2.gz HMHYJSUAIPHSLT-STQMWFEESA-N -1 0 356.400 -0.146 20 0 FBADRM O=C([N-]OCCO)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000787283364 660884423 /nfs/dbraw/zinc/88/44/23/660884423.db2.gz OKHJQLQIPYWWHQ-JQWIXIFHSA-N -1 0 364.807 -0.496 20 0 FBADRM O=C([N-]OCCO)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000787283378 660884277 /nfs/dbraw/zinc/88/42/77/660884277.db2.gz OKHJQLQIPYWWHQ-PWSUYJOCSA-N -1 0 364.807 -0.496 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NCc1cccnc1N1CCOCC1 ZINC000787285311 660884309 /nfs/dbraw/zinc/88/43/09/660884309.db2.gz WDQXPIHTMMQGPY-UHFFFAOYSA-N -1 0 352.391 -0.381 20 0 FBADRM COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)[N-]OCCO)C1=O ZINC000787286153 660884269 /nfs/dbraw/zinc/88/42/69/660884269.db2.gz VCHDHLLWZNYFSS-INIZCTEOSA-N -1 0 351.359 -0.189 20 0 FBADRM COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)[N-]OCCO)C1=O ZINC000787286168 660884332 /nfs/dbraw/zinc/88/43/32/660884332.db2.gz VCHDHLLWZNYFSS-MRXNPFEDSA-N -1 0 351.359 -0.189 20 0 FBADRM CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)[N-]OCCO)c1 ZINC000787286491 660884386 /nfs/dbraw/zinc/88/43/86/660884386.db2.gz YPFWRGYIRRGACL-UHFFFAOYSA-N -1 0 373.431 -0.513 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000787287299 660884361 /nfs/dbraw/zinc/88/43/61/660884361.db2.gz CMMCZHNPSFMBME-UHFFFAOYSA-N -1 0 351.403 -0.171 20 0 FBADRM NS(=O)(=O)c1ccc(OCCSCC(=O)[N-]OCCO)cc1 ZINC000787287611 660884370 /nfs/dbraw/zinc/88/43/70/660884370.db2.gz XBZLIPNIOMACEK-UHFFFAOYSA-N -1 0 350.418 -0.514 20 0 FBADRM CCOc1ccc(S(=O)(=O)NCC(=O)[N-]OCCO)cc1OCC ZINC000787291140 660884283 /nfs/dbraw/zinc/88/42/83/660884283.db2.gz ISPJXYDPICAMRP-UHFFFAOYSA-N -1 0 362.404 -0.198 20 0 FBADRM O=C(CNS(=O)(=O)c1ccc(Br)s1)[N-]OCCO ZINC000787291773 660884523 /nfs/dbraw/zinc/88/45/23/660884523.db2.gz CTJCMHXOOBGCFA-UHFFFAOYSA-N -1 0 359.223 -0.171 20 0 FBADRM O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)[N-]OCCO ZINC000787292431 660884592 /nfs/dbraw/zinc/88/45/92/660884592.db2.gz GNCJLNVSHGQXHB-UHFFFAOYSA-N -1 0 358.294 -0.096 20 0 FBADRM Cc1cccc(N2CCN(S(=O)(=O)CC(=O)[N-]OCCO)CC2)c1 ZINC000787295045 660884614 /nfs/dbraw/zinc/88/46/14/660884614.db2.gz VIXGVCHZJQDIAT-UHFFFAOYSA-N -1 0 357.432 -0.513 20 0 FBADRM C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCO)s1)c1nnnn1C ZINC000787722721 660887420 /nfs/dbraw/zinc/88/74/20/660887420.db2.gz QXJVSYPWJWHFOR-SSDOTTSWSA-N -1 0 361.405 -0.540 20 0 FBADRM C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCO)s1)c1nnnn1C ZINC000787722722 660887373 /nfs/dbraw/zinc/88/73/73/660887373.db2.gz QXJVSYPWJWHFOR-ZETCQYMHSA-N -1 0 361.405 -0.540 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)OCc1nc(-c2nc[nH]n2)no1 ZINC000787730521 660887393 /nfs/dbraw/zinc/88/73/93/660887393.db2.gz YOHKVUIPRLYGRD-UHFFFAOYSA-N -1 0 374.379 -0.758 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NCc1cccc(S(=O)(=O)NC)c1 ZINC000787851839 660888959 /nfs/dbraw/zinc/88/89/59/660888959.db2.gz OBTHKNNXEZUJAW-UHFFFAOYSA-N -1 0 359.404 -0.705 20 0 FBADRM CC(C)(C)OC(=O)C[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000787931930 660889880 /nfs/dbraw/zinc/88/98/80/660889880.db2.gz LACNQPWKGXIAQB-SECBINFHSA-N -1 0 373.449 -0.475 20 0 FBADRM Cn1cc(S(=O)(=O)N(CC(=O)[O-])Cc2ccncc2)cc1C(N)=O ZINC000787932680 660889870 /nfs/dbraw/zinc/88/98/70/660889870.db2.gz DENPPPNAEBSVBC-UHFFFAOYSA-N -1 0 352.372 -0.206 20 0 FBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000787933015 660889877 /nfs/dbraw/zinc/88/98/77/660889877.db2.gz VKIYUPBFYNMFNE-DTWKUNHWSA-N -1 0 353.393 -0.100 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000787933018 660889857 /nfs/dbraw/zinc/88/98/57/660889857.db2.gz VKIYUPBFYNMFNE-RKDXNWHRSA-N -1 0 353.393 -0.100 20 0 FBADRM CC(C)(C)OC(=O)C[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000787933033 660889862 /nfs/dbraw/zinc/88/98/62/660889862.db2.gz VVOLSBVKFGBWGF-MRVPVSSYSA-N -1 0 359.422 -0.865 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@H](CC(C)=O)C(=O)[O-])CC1 ZINC000787933057 660889855 /nfs/dbraw/zinc/88/98/55/660889855.db2.gz FNVNYJUBPGMENX-LLVKDONJSA-N -1 0 350.393 -0.472 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](CC(C)=O)C(=O)[O-])CC1 ZINC000787933059 660889853 /nfs/dbraw/zinc/88/98/53/660889853.db2.gz FNVNYJUBPGMENX-NSHDSACASA-N -1 0 350.393 -0.472 20 0 FBADRM CC(=O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000787933193 660889757 /nfs/dbraw/zinc/88/97/57/660889757.db2.gz HJAPLHXKHXCXCD-LLVKDONJSA-N -1 0 354.340 -0.377 20 0 FBADRM CC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000787933194 660889828 /nfs/dbraw/zinc/88/98/28/660889828.db2.gz HJAPLHXKHXCXCD-NSHDSACASA-N -1 0 354.340 -0.377 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N(CC(=O)[O-])Cc1ccncc1 ZINC000787933275 660889872 /nfs/dbraw/zinc/88/98/72/660889872.db2.gz GCQBYZNMHJLOJO-UHFFFAOYSA-N -1 0 361.420 -0.192 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](CC(C)=O)C(=O)[O-])CC1 ZINC000787933403 660889864 /nfs/dbraw/zinc/88/98/64/660889864.db2.gz ACKMMGBAUFHIPW-JTQLQIEISA-N -1 0 351.381 -0.973 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@H](CC(C)=O)C(=O)[O-])CC1 ZINC000787933408 660889819 /nfs/dbraw/zinc/88/98/19/660889819.db2.gz ACKMMGBAUFHIPW-SNVBAGLBSA-N -1 0 351.381 -0.973 20 0 FBADRM CC(=O)C[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000787934073 660889752 /nfs/dbraw/zinc/88/97/52/660889752.db2.gz GGVIRHVAVSABCN-JTQLQIEISA-N -1 0 350.374 -0.955 20 0 FBADRM CC(=O)C[C@@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000787934077 660889749 /nfs/dbraw/zinc/88/97/49/660889749.db2.gz GGVIRHVAVSABCN-SNVBAGLBSA-N -1 0 350.374 -0.955 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N(CC(=O)[O-])Cc1ccncc1 ZINC000787934314 660889785 /nfs/dbraw/zinc/88/97/85/660889785.db2.gz MQBPGYRPHQWXNA-UHFFFAOYSA-N -1 0 365.433 -0.763 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N(CC(=O)[O-])Cc1ccncc1 ZINC000787934822 660889721 /nfs/dbraw/zinc/88/97/21/660889721.db2.gz PBVCUILBROCPAH-UHFFFAOYSA-N -1 0 350.418 -0.267 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](CC(C)=O)C(=O)[O-])c1 ZINC000787935723 660889831 /nfs/dbraw/zinc/88/98/31/660889831.db2.gz PFCFDCDVSRANHR-LLVKDONJSA-N -1 0 364.401 -0.695 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](CC(C)=O)C(=O)[O-])c1 ZINC000787935737 660889802 /nfs/dbraw/zinc/88/98/02/660889802.db2.gz PFCFDCDVSRANHR-NSHDSACASA-N -1 0 364.401 -0.695 20 0 FBADRM CC(=O)C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)C(=O)[O-] ZINC000787935770 660889840 /nfs/dbraw/zinc/88/98/40/660889840.db2.gz PHWCRMDWMMWWFF-JTQLQIEISA-N -1 0 355.328 -0.248 20 0 FBADRM CC(=O)C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)C(=O)[O-] ZINC000787935793 660889838 /nfs/dbraw/zinc/88/98/38/660889838.db2.gz PHWCRMDWMMWWFF-SNVBAGLBSA-N -1 0 355.328 -0.248 20 0 FBADRM CC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)[O-] ZINC000787935813 660889797 /nfs/dbraw/zinc/88/97/97/660889797.db2.gz PUEKNPOLANZWJV-JTQLQIEISA-N -1 0 355.372 -0.412 20 0 FBADRM CC(=O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)[O-] ZINC000787935814 660889816 /nfs/dbraw/zinc/88/98/16/660889816.db2.gz PUEKNPOLANZWJV-SNVBAGLBSA-N -1 0 355.372 -0.412 20 0 FBADRM CC(=O)C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000787935925 660889736 /nfs/dbraw/zinc/88/97/36/660889736.db2.gz XPQLMUTZEUFSAX-JTQLQIEISA-N -1 0 367.376 -0.060 20 0 FBADRM CC(=O)C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000787935927 660889867 /nfs/dbraw/zinc/88/98/67/660889867.db2.gz XPQLMUTZEUFSAX-SNVBAGLBSA-N -1 0 367.376 -0.060 20 0 FBADRM COCCO[N-]C(=O)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000787977745 660890226 /nfs/dbraw/zinc/89/02/26/660890226.db2.gz JACBBOQTDSYFBS-HNNXBMFYSA-N -1 0 351.403 -0.130 20 0 FBADRM COCCO[N-]C(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000787977747 660890384 /nfs/dbraw/zinc/89/03/84/660890384.db2.gz JACBBOQTDSYFBS-OAHLLOKOSA-N -1 0 351.403 -0.130 20 0 FBADRM O=C(c1cccc(Cl)c1[O-])N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000787998204 660890602 /nfs/dbraw/zinc/89/06/02/660890602.db2.gz JGJNUYNFSYZSJE-CHWSQXEVSA-N -1 0 374.846 -0.039 20 0 FBADRM O=C(c1cccc(Cl)c1[O-])N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000787998221 660890565 /nfs/dbraw/zinc/89/05/65/660890565.db2.gz JGJNUYNFSYZSJE-OLZOCXBDSA-N -1 0 374.846 -0.039 20 0 FBADRM O=C(c1cccc(Cl)c1[O-])N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000787998224 660890629 /nfs/dbraw/zinc/89/06/29/660890629.db2.gz JGJNUYNFSYZSJE-QWHCGFSZSA-N -1 0 374.846 -0.039 20 0 FBADRM O=C(c1cccc(Cl)c1[O-])N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000787998227 660890612 /nfs/dbraw/zinc/89/06/12/660890612.db2.gz JGJNUYNFSYZSJE-STQMWFEESA-N -1 0 374.846 -0.039 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000788010414 657476483 /nfs/dbraw/zinc/47/64/83/657476483.db2.gz KLNQFSRRVUJSPJ-UHFFFAOYSA-N -1 0 350.419 -0.381 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)COc1ccc(C(N)=O)cc1 ZINC000788041101 660154326 /nfs/dbraw/zinc/15/43/26/660154326.db2.gz LBDIBWDDOHZCMN-NXEZZACHSA-N -1 0 372.399 -0.192 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)COc1ccc(C(N)=O)cc1 ZINC000788041106 660154316 /nfs/dbraw/zinc/15/43/16/660154316.db2.gz LBDIBWDDOHZCMN-UWVGGRQHSA-N -1 0 372.399 -0.192 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)COc1ccc(C(N)=O)cc1 ZINC000788041110 660154344 /nfs/dbraw/zinc/15/43/44/660154344.db2.gz LBDIBWDDOHZCMN-VHSXEESVSA-N -1 0 372.399 -0.192 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)COc1ccc(C(N)=O)cc1 ZINC000788041113 660154358 /nfs/dbraw/zinc/15/43/58/660154358.db2.gz LBDIBWDDOHZCMN-ZJUUUORDSA-N -1 0 372.399 -0.192 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC ZINC000788041504 660154325 /nfs/dbraw/zinc/15/43/25/660154325.db2.gz FIIFFDRMCPWGCZ-NXEZZACHSA-N -1 0 372.465 -0.698 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC ZINC000788041505 660154364 /nfs/dbraw/zinc/15/43/64/660154364.db2.gz FIIFFDRMCPWGCZ-UWVGGRQHSA-N -1 0 372.465 -0.698 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC ZINC000788041507 660154295 /nfs/dbraw/zinc/15/42/95/660154295.db2.gz FIIFFDRMCPWGCZ-VHSXEESVSA-N -1 0 372.465 -0.698 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC ZINC000788041510 660154338 /nfs/dbraw/zinc/15/43/38/660154338.db2.gz FIIFFDRMCPWGCZ-ZJUUUORDSA-N -1 0 372.465 -0.698 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(OCC(N)=O)c1 ZINC000788044596 660157794 /nfs/dbraw/zinc/15/77/94/660157794.db2.gz SUJKRZMKDOCICS-NXEZZACHSA-N -1 0 372.399 -0.192 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(OCC(N)=O)c1 ZINC000788044598 660157813 /nfs/dbraw/zinc/15/78/13/660157813.db2.gz SUJKRZMKDOCICS-UWVGGRQHSA-N -1 0 372.399 -0.192 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(OCC(N)=O)c1 ZINC000788044600 660157891 /nfs/dbraw/zinc/15/78/91/660157891.db2.gz SUJKRZMKDOCICS-VHSXEESVSA-N -1 0 372.399 -0.192 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(OCC(N)=O)c1 ZINC000788044602 660157810 /nfs/dbraw/zinc/15/78/10/660157810.db2.gz SUJKRZMKDOCICS-ZJUUUORDSA-N -1 0 372.399 -0.192 20 0 FBADRM NC(=O)COc1cccc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)c1 ZINC000788049656 660163765 /nfs/dbraw/zinc/16/37/65/660163765.db2.gz FLTZNXMENWPLKI-UHFFFAOYSA-N -1 0 364.383 -0.188 20 0 FBADRM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C(=O)CNC(C)=O)c1F ZINC000788049997 660165008 /nfs/dbraw/zinc/16/50/08/660165008.db2.gz CJNVDAFCGAFQKK-UHFFFAOYSA-N -1 0 350.299 -0.308 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000788050024 660166259 /nfs/dbraw/zinc/16/62/59/660166259.db2.gz NNKQMFMAABBEMU-UHFFFAOYSA-N -1 0 364.449 -0.694 20 0 FBADRM NC(=O)c1ccc(OCC(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)cc1 ZINC000788050162 660171711 /nfs/dbraw/zinc/17/17/11/660171711.db2.gz NVUBWVKYSXWTNV-UHFFFAOYSA-N -1 0 364.383 -0.188 20 0 FBADRM COC(=O)c1ccc(NS(=O)(=O)[N-]C(=O)CCn2ccnn2)cc1 ZINC000788066154 660371180 /nfs/dbraw/zinc/37/11/80/660371180.db2.gz CNHUNWUOVSJFQO-UHFFFAOYSA-N -1 0 353.360 -0.072 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)CCN2C(=O)CCC2=O)s1 ZINC000788070575 660377305 /nfs/dbraw/zinc/37/73/05/660377305.db2.gz SUSABKXNXGWDIV-UHFFFAOYSA-N -1 0 374.400 -0.555 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C(=O)C2)s1 ZINC000788078451 660394607 /nfs/dbraw/zinc/39/46/07/660394607.db2.gz ZAOFSCNKBAJVMV-MRVPVSSYSA-N -1 0 360.417 -0.225 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C(=O)C2)s1 ZINC000788078454 660394687 /nfs/dbraw/zinc/39/46/87/660394687.db2.gz ZAOFSCNKBAJVMV-QMMMGPOBSA-N -1 0 360.417 -0.225 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)N1CCCC1)S(=O)(=O)C1CCOCC1 ZINC000788080229 660441067 /nfs/dbraw/zinc/44/10/67/660441067.db2.gz BHOGXSRHFPGFIO-JTQLQIEISA-N -1 0 354.450 -0.575 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)N1CCCC1)S(=O)(=O)C1CCOCC1 ZINC000788080235 660441140 /nfs/dbraw/zinc/44/11/40/660441140.db2.gz BHOGXSRHFPGFIO-SNVBAGLBSA-N -1 0 354.450 -0.575 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)N1CCCCC1)S(=O)(=O)C1CCOCC1 ZINC000788080293 660445094 /nfs/dbraw/zinc/44/50/94/660445094.db2.gz BTUDALPJVDUSRI-LLVKDONJSA-N -1 0 368.477 -0.184 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)N1CCCCC1)S(=O)(=O)C1CCOCC1 ZINC000788080297 660445091 /nfs/dbraw/zinc/44/50/91/660445091.db2.gz BTUDALPJVDUSRI-NSHDSACASA-N -1 0 368.477 -0.184 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000788086807 660538257 /nfs/dbraw/zinc/53/82/57/660538257.db2.gz OZXZUSGWWHMGCA-JTQLQIEISA-N -1 0 356.466 -0.329 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000788086809 660538633 /nfs/dbraw/zinc/53/86/33/660538633.db2.gz OZXZUSGWWHMGCA-SNVBAGLBSA-N -1 0 356.466 -0.329 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000788089378 660541327 /nfs/dbraw/zinc/54/13/27/660541327.db2.gz CQJQDKTUDWYAEC-JMCQJSRRSA-N -1 0 360.417 -0.176 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000788089381 660541320 /nfs/dbraw/zinc/54/13/20/660541320.db2.gz CQJQDKTUDWYAEC-JVXZTZIISA-N -1 0 360.417 -0.176 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000788089384 660541304 /nfs/dbraw/zinc/54/13/04/660541304.db2.gz CQJQDKTUDWYAEC-KRTXAFLBSA-N -1 0 360.417 -0.176 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000788089386 660541306 /nfs/dbraw/zinc/54/13/06/660541306.db2.gz CQJQDKTUDWYAEC-MADCSZMMSA-N -1 0 360.417 -0.176 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cn(Cc2ccccn2)nn1 ZINC000788090207 660541317 /nfs/dbraw/zinc/54/13/17/660541317.db2.gz HDRFJORSIXWBNE-UHFFFAOYSA-N -1 0 363.359 -0.281 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000788090997 660541650 /nfs/dbraw/zinc/54/16/50/660541650.db2.gz LUKXQFMBNZECLH-UHFFFAOYSA-N -1 0 364.339 -0.090 20 0 FBADRM CCCNC(=O)CN1CCC(NC(=O)C(=O)[N-]OCCSC)CC1 ZINC000788101227 660544880 /nfs/dbraw/zinc/54/48/80/660544880.db2.gz PDYZUILFCPQZCX-UHFFFAOYSA-N -1 0 360.480 -0.496 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccccc1CN1CCOCC1 ZINC000788175215 660891135 /nfs/dbraw/zinc/89/11/35/660891135.db2.gz ADWUVFSAGDUJLB-UHFFFAOYSA-N -1 0 369.443 -0.286 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCc1ccc2c(c1)OCCO2 ZINC000788175328 658721275 /nfs/dbraw/zinc/72/12/75/658721275.db2.gz AXZHSMHKGQJGFH-UHFFFAOYSA-N -1 0 356.400 -0.028 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(OCC(F)F)ccn1 ZINC000788175331 660891129 /nfs/dbraw/zinc/89/11/29/660891129.db2.gz JENNVUIEGKOIQO-UHFFFAOYSA-N -1 0 351.331 -0.079 20 0 FBADRM Cc1ccc2ncc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(=O)n2c1 ZINC000788175977 660891095 /nfs/dbraw/zinc/89/10/95/660891095.db2.gz FSUUAVDVAWNZDU-UHFFFAOYSA-N -1 0 352.372 -0.801 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1cnn(-c2ccccc2)c1 ZINC000788176420 660891078 /nfs/dbraw/zinc/89/10/78/660891078.db2.gz JXDAPCWSAHVMNK-UHFFFAOYSA-N -1 0 350.400 -0.003 20 0 FBADRM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000788176484 660891144 /nfs/dbraw/zinc/89/11/44/660891144.db2.gz KURLUMHCBIPHQH-NXEZZACHSA-N -1 0 365.477 -0.484 20 0 FBADRM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000788176486 660891106 /nfs/dbraw/zinc/89/11/06/660891106.db2.gz KURLUMHCBIPHQH-UWVGGRQHSA-N -1 0 365.477 -0.484 20 0 FBADRM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000788176487 660891132 /nfs/dbraw/zinc/89/11/32/660891132.db2.gz KURLUMHCBIPHQH-VHSXEESVSA-N -1 0 365.477 -0.484 20 0 FBADRM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000788176488 660891113 /nfs/dbraw/zinc/89/11/13/660891113.db2.gz KURLUMHCBIPHQH-ZJUUUORDSA-N -1 0 365.477 -0.484 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000788178218 660891093 /nfs/dbraw/zinc/89/10/93/660891093.db2.gz UWUYYCFZTABZLN-SECBINFHSA-N -1 0 359.370 -0.157 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000788178223 660891125 /nfs/dbraw/zinc/89/11/25/660891125.db2.gz UWUYYCFZTABZLN-VIFPVBQESA-N -1 0 359.370 -0.157 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnccn1)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000788190634 660891311 /nfs/dbraw/zinc/89/13/11/660891311.db2.gz ZUIGKKBFZRZDML-SSDOTTSWSA-N -1 0 352.294 -0.165 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnccn1)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000788190637 660891378 /nfs/dbraw/zinc/89/13/78/660891378.db2.gz ZUIGKKBFZRZDML-ZETCQYMHSA-N -1 0 352.294 -0.165 20 0 FBADRM CO[C@@H](C)c1nsc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1 ZINC000788215570 660891609 /nfs/dbraw/zinc/89/16/09/660891609.db2.gz WMMJIQCENVCETD-LURJTMIESA-N -1 0 361.405 -0.556 20 0 FBADRM CO[C@H](C)c1nsc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1 ZINC000788215572 660891708 /nfs/dbraw/zinc/89/17/08/660891708.db2.gz WMMJIQCENVCETD-ZCFIWIBFSA-N -1 0 361.405 -0.556 20 0 FBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)C1 ZINC000788349404 660892346 /nfs/dbraw/zinc/89/23/46/660892346.db2.gz ODMIYOVAKYBFPI-UHFFFAOYSA-N -1 0 364.387 -0.840 20 0 FBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC000788351371 660892293 /nfs/dbraw/zinc/89/22/93/660892293.db2.gz XSKCZOMSMZWAPK-UHFFFAOYSA-N -1 0 360.413 -0.627 20 0 FBADRM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)C1CN(C(C)=O)C1 ZINC000788352311 660892226 /nfs/dbraw/zinc/89/22/26/660892226.db2.gz YYIJKRMDHFRNGK-UHFFFAOYSA-N -1 0 369.399 -0.063 20 0 FBADRM COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)C2CN(C(C)=O)C2)cc1 ZINC000788352417 660892281 /nfs/dbraw/zinc/89/22/81/660892281.db2.gz GZSPAUUHXNWUBK-UHFFFAOYSA-N -1 0 354.384 -0.103 20 0 FBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC000788352566 660892338 /nfs/dbraw/zinc/89/23/38/660892338.db2.gz HOXBPAYOKHBGFE-UHFFFAOYSA-N -1 0 354.388 -0.862 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)C2CN(C(C)=O)C2)s1 ZINC000788358923 660892349 /nfs/dbraw/zinc/89/23/49/660892349.db2.gz OPQSAYUBQDDIHH-UHFFFAOYSA-N -1 0 359.429 -0.333 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)C2CN(C(C)=O)C2)s1 ZINC000788359888 660892363 /nfs/dbraw/zinc/89/23/63/660892363.db2.gz VFINNXIGVMQPID-UHFFFAOYSA-N -1 0 373.456 -0.290 20 0 FBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 ZINC000788362882 660892347 /nfs/dbraw/zinc/89/23/47/660892347.db2.gz LYNOXHWQXQQAPN-UHFFFAOYSA-N -1 0 351.384 -0.744 20 0 FBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC000788362987 660892273 /nfs/dbraw/zinc/89/22/73/660892273.db2.gz NYPATWKDWKMZRI-UHFFFAOYSA-N -1 0 353.400 -0.328 20 0 FBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000788363325 660892329 /nfs/dbraw/zinc/89/23/29/660892329.db2.gz OBIBSOUDLIMEMM-UHFFFAOYSA-N -1 0 360.413 -0.627 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2CN(C(C)=O)C2)nc1 ZINC000788365257 660892351 /nfs/dbraw/zinc/89/23/51/660892351.db2.gz BKLZVEWVAJLRGS-UHFFFAOYSA-N -1 0 355.372 -0.459 20 0 FBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2cnn(-c3cc(C)ccn3)c2)C1 ZINC000788369385 660892254 /nfs/dbraw/zinc/89/22/54/660892254.db2.gz XTHXZBVUTNLFNL-UHFFFAOYSA-N -1 0 363.399 -0.141 20 0 FBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000788371574 660892344 /nfs/dbraw/zinc/89/23/44/660892344.db2.gz CKJQTVJCFVDROI-UHFFFAOYSA-N -1 0 353.400 -0.328 20 0 FBADRM COc1cc(OC)c(S(=O)(=O)[N-]C(=O)C2CN(C(C)=O)C2)c(OC)c1 ZINC000788373965 660892371 /nfs/dbraw/zinc/89/23/71/660892371.db2.gz DDOPYAHGFDVKAE-UHFFFAOYSA-N -1 0 372.399 -0.004 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)cnc1Br ZINC000788374355 660892286 /nfs/dbraw/zinc/89/22/86/660892286.db2.gz OWKLDJKNUSODSA-UHFFFAOYSA-N -1 0 352.166 -0.602 20 0 FBADRM COCCOc1cc(OC)ccc1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000788375524 660892586 /nfs/dbraw/zinc/89/25/86/660892586.db2.gz VSLBCTNNACWNHS-UHFFFAOYSA-N -1 0 370.387 -0.032 20 0 FBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C1 ZINC000788379264 660892539 /nfs/dbraw/zinc/89/25/39/660892539.db2.gz VBTVCWOSWBJOQB-UHFFFAOYSA-N -1 0 365.367 -0.804 20 0 FBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC000788453704 660894458 /nfs/dbraw/zinc/89/44/58/660894458.db2.gz KCVBVABEBBAGPU-SCZZXKLOSA-N -1 0 361.376 -0.243 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1 ZINC000788454551 660894559 /nfs/dbraw/zinc/89/45/59/660894559.db2.gz RLKXQFKLZAHEPC-MNOVXSKESA-N -1 0 365.408 -0.821 20 0 FBADRM C[C@H]1OCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)[C@@H]1C(=O)[O-] ZINC000788455280 660894659 /nfs/dbraw/zinc/89/46/59/660894659.db2.gz YOCVGZQZMXSTAV-MNOVXSKESA-N -1 0 350.393 -0.756 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[N-]OC[C@@H]1CCOC1 ZINC000788569335 660894906 /nfs/dbraw/zinc/89/49/06/660894906.db2.gz GHIJYKIPFNCXSJ-GHMZBOCLSA-N -1 0 371.415 -0.463 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[N-]OC[C@H]1CCOC1 ZINC000788569339 660894788 /nfs/dbraw/zinc/89/47/88/660894788.db2.gz GHIJYKIPFNCXSJ-MNOVXSKESA-N -1 0 371.415 -0.463 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[N-]OC[C@H]1CCOC1 ZINC000788569344 660894784 /nfs/dbraw/zinc/89/47/84/660894784.db2.gz GHIJYKIPFNCXSJ-QWRGUYRKSA-N -1 0 371.415 -0.463 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[N-]OC[C@@H]1CCOC1 ZINC000788569347 660894797 /nfs/dbraw/zinc/89/47/97/660894797.db2.gz GHIJYKIPFNCXSJ-WDEREUQCSA-N -1 0 371.415 -0.463 20 0 FBADRM Cc1c([C@@H](NS(=O)(=O)N2CCC3(CC2)OCCO3)C(=O)[O-])cnn1C ZINC000788692506 660895763 /nfs/dbraw/zinc/89/57/63/660895763.db2.gz CVBGINNXQJSBCJ-GFCCVEGCSA-N -1 0 374.419 -0.472 20 0 FBADRM Cc1c([C@H](NS(=O)(=O)N2CCC3(CC2)OCCO3)C(=O)[O-])cnn1C ZINC000788692507 660895792 /nfs/dbraw/zinc/89/57/92/660895792.db2.gz CVBGINNXQJSBCJ-LBPRGKRZSA-N -1 0 374.419 -0.472 20 0 FBADRM CO[C@@H](CNS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)CC(=O)[O-] ZINC000788694788 660895776 /nfs/dbraw/zinc/89/57/76/660895776.db2.gz SMTDITSEZGZURU-MRVPVSSYSA-N -1 0 369.392 -0.003 20 0 FBADRM CO[C@H](CNS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)CC(=O)[O-] ZINC000788694789 660895806 /nfs/dbraw/zinc/89/58/06/660895806.db2.gz SMTDITSEZGZURU-QMMMGPOBSA-N -1 0 369.392 -0.003 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)NC[C@H](CC(=O)[O-])OC)CC1 ZINC000788694952 660895668 /nfs/dbraw/zinc/89/56/68/660895668.db2.gz SXLKQWWOIPSGIT-JTQLQIEISA-N -1 0 353.397 -0.915 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H](CC(=O)[O-])OC)CC1 ZINC000788694956 660895778 /nfs/dbraw/zinc/89/57/78/660895778.db2.gz SXLKQWWOIPSGIT-SNVBAGLBSA-N -1 0 353.397 -0.915 20 0 FBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]N2CCCNC2=O)cc1F ZINC000788911406 660896480 /nfs/dbraw/zinc/89/64/80/660896480.db2.gz CCWLMLBDYRLMSP-UHFFFAOYSA-N -1 0 366.396 -0.194 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]N2CCCNC2=O)cc1F ZINC000788911413 660896610 /nfs/dbraw/zinc/89/66/10/660896610.db2.gz CPQMSOYSIJMTPO-UHFFFAOYSA-N -1 0 351.381 -0.162 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]N1CCCNC1=O ZINC000788912681 660896865 /nfs/dbraw/zinc/89/68/65/660896865.db2.gz LACLNAWGVNVNSM-UHFFFAOYSA-N -1 0 362.433 -0.455 20 0 FBADRM O=C1NCCCN1[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000788913333 660896913 /nfs/dbraw/zinc/89/69/13/660896913.db2.gz NBROQWQCTYCTOM-UHFFFAOYSA-N -1 0 374.444 -0.264 20 0 FBADRM COc1ccc(CNC(C)=O)cc1S(=O)(=O)[N-]N1CCCNC1=O ZINC000788913344 660896907 /nfs/dbraw/zinc/89/69/07/660896907.db2.gz NMMMIBBZCGMXPP-UHFFFAOYSA-N -1 0 356.404 -0.060 20 0 FBADRM C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000789119018 660898184 /nfs/dbraw/zinc/89/81/84/660898184.db2.gz OZRKCSPOUMMVIQ-CYBMUJFWSA-N -1 0 353.335 -0.831 20 0 FBADRM C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000789119025 660898307 /nfs/dbraw/zinc/89/83/07/660898307.db2.gz OZRKCSPOUMMVIQ-ZDUSSCGKSA-N -1 0 353.335 -0.831 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ccn(CC(F)F)n2)cc1C(N)=O ZINC000789388213 660899499 /nfs/dbraw/zinc/89/94/99/660899499.db2.gz GOYYYTSYOOUISE-UHFFFAOYSA-N -1 0 361.330 -0.296 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ccnn2CC(F)F)cc1C(N)=O ZINC000789388972 660899328 /nfs/dbraw/zinc/89/93/28/660899328.db2.gz JZAXAOGIWZOVKX-UHFFFAOYSA-N -1 0 361.330 -0.296 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC(=O)c3cccn32)cc1C(N)=O ZINC000789389031 660899521 /nfs/dbraw/zinc/89/95/21/660899521.db2.gz KQAQGPYGRYWNDL-LLVKDONJSA-N -1 0 364.383 -0.052 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)c3cccn32)cc1C(N)=O ZINC000789389042 660899460 /nfs/dbraw/zinc/89/94/60/660899460.db2.gz KQAQGPYGRYWNDL-NSHDSACASA-N -1 0 364.383 -0.052 20 0 FBADRM CCCCS(=O)(=O)[N-]C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000789389105 660899370 /nfs/dbraw/zinc/89/93/70/660899370.db2.gz LAIQFVXFDDWPDE-UHFFFAOYSA-N -1 0 356.404 -0.565 20 0 FBADRM CC(C)CS(=O)(=O)[N-]C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000789416975 660899742 /nfs/dbraw/zinc/89/97/42/660899742.db2.gz SNYGTEOYVVFOQE-UHFFFAOYSA-N -1 0 356.404 -0.709 20 0 FBADRM CC(C)CCS(=O)(=O)[N-]C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000789421145 660899698 /nfs/dbraw/zinc/89/96/98/660899698.db2.gz GUTOOMYPXWGRIH-UHFFFAOYSA-N -1 0 370.431 -0.319 20 0 FBADRM Cn1c(C(=O)[N-]S(=O)(=O)CC(C)(C)C)cc2c1n(C)c(=O)n(C)c2=O ZINC000789424694 660899803 /nfs/dbraw/zinc/89/98/03/660899803.db2.gz FHJFBMOTLVJJNS-UHFFFAOYSA-N -1 0 370.431 -0.319 20 0 FBADRM Cn1c(C(=O)[N-]S(=O)(=O)CC2CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000789424814 660899680 /nfs/dbraw/zinc/89/96/80/660899680.db2.gz HQAYDECYUKOUJE-UHFFFAOYSA-N -1 0 354.388 -0.955 20 0 FBADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000789426577 660899833 /nfs/dbraw/zinc/89/98/33/660899833.db2.gz WLTXODVTOFBXPP-UHFFFAOYSA-N -1 0 370.431 -0.176 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000789427914 660899704 /nfs/dbraw/zinc/89/97/04/660899704.db2.gz OGLFLOKVXBBWHC-SECBINFHSA-N -1 0 371.419 -0.123 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000789427915 660899826 /nfs/dbraw/zinc/89/98/26/660899826.db2.gz OGLFLOKVXBBWHC-VIFPVBQESA-N -1 0 371.419 -0.123 20 0 FBADRM O=C(CN1CCc2ccccc2C1=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000789433187 660899648 /nfs/dbraw/zinc/89/96/48/660899648.db2.gz GKWUXQBARYLJRV-UHFFFAOYSA-N -1 0 353.400 -0.622 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cnnn1-c1cccc(F)c1 ZINC000789433227 660899828 /nfs/dbraw/zinc/89/98/28/660899828.db2.gz GWDUUGQRKVTKCJ-UHFFFAOYSA-N -1 0 355.351 -0.287 20 0 FBADRM CCC[C@H](CCCS(C)(=O)=O)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000789433693 660899760 /nfs/dbraw/zinc/89/97/60/660899760.db2.gz LAZSRDYKLULCTC-GFCCVEGCSA-N -1 0 370.493 -0.079 20 0 FBADRM CCC[C@@H](CCCS(C)(=O)=O)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000789433918 660899837 /nfs/dbraw/zinc/89/98/37/660899837.db2.gz LAZSRDYKLULCTC-LBPRGKRZSA-N -1 0 370.493 -0.079 20 0 FBADRM Cn1c(C(=O)[N-]S(=O)(=O)C2CCCC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000789449346 660900093 /nfs/dbraw/zinc/90/00/93/660900093.db2.gz IDPTVPAWJFIWOA-UHFFFAOYSA-N -1 0 368.415 -0.422 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cnnn1-c1cccc(F)c1 ZINC000789451505 660900024 /nfs/dbraw/zinc/90/00/24/660900024.db2.gz LJFAXQIJOQKZTI-UHFFFAOYSA-N -1 0 357.367 -0.041 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)CN1CCc2ccccc2C1=O ZINC000789452491 660899969 /nfs/dbraw/zinc/89/99/69/660899969.db2.gz FSQQMXMMNZDRNX-UHFFFAOYSA-N -1 0 370.427 -0.206 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CN1CCc2ccccc2C1=O ZINC000789452820 660900136 /nfs/dbraw/zinc/90/01/36/660900136.db2.gz PNWIHBPRQYVPNE-UHFFFAOYSA-N -1 0 355.416 -0.376 20 0 FBADRM Cn1c(C(=O)[N-]S(=O)(=O)CC2CCC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000789455445 660900120 /nfs/dbraw/zinc/90/01/20/660900120.db2.gz AYWXZWPVEOZECO-UHFFFAOYSA-N -1 0 368.415 -0.565 20 0 FBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000789473373 660900083 /nfs/dbraw/zinc/90/00/83/660900083.db2.gz SCLBZBPDXNCTSW-MRVPVSSYSA-N -1 0 356.404 -0.566 20 0 FBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000789473374 660900123 /nfs/dbraw/zinc/90/01/23/660900123.db2.gz SCLBZBPDXNCTSW-QMMMGPOBSA-N -1 0 356.404 -0.566 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cnnn1-c1cccc(F)c1 ZINC000789481296 660900351 /nfs/dbraw/zinc/90/03/51/660900351.db2.gz FRKHWSHQSXCNGX-UHFFFAOYSA-N -1 0 351.323 -0.346 20 0 FBADRM Cc1cc(F)cc(-n2cc(C(=O)[N-]S(=O)(=O)c3cnnn3C)nn2)c1 ZINC000789483733 660900229 /nfs/dbraw/zinc/90/02/29/660900229.db2.gz WLFLKEVZGKIBBC-UHFFFAOYSA-N -1 0 365.350 -0.038 20 0 FBADRM Cn1c(C(=O)[N-]S(=O)(=O)C2CCC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000789494908 660900392 /nfs/dbraw/zinc/90/03/92/660900392.db2.gz HNDWNVJJYJDPSF-UHFFFAOYSA-N -1 0 354.388 -0.812 20 0 FBADRM COc1cc(C)c(S(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)cc1C ZINC000789526797 660900283 /nfs/dbraw/zinc/90/02/83/660900283.db2.gz YHHCJDQBQYDEOC-UHFFFAOYSA-N -1 0 367.387 -0.492 20 0 FBADRM COc1cc(C)c(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)cc1C ZINC000789528592 660900262 /nfs/dbraw/zinc/90/02/62/660900262.db2.gz BAZXUYHJVVVHDJ-UHFFFAOYSA-N -1 0 354.388 -0.288 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cc(OC)c(OC)cc1C ZINC000789564267 660900218 /nfs/dbraw/zinc/90/02/18/660900218.db2.gz FCFONRCSCJUARZ-UHFFFAOYSA-N -1 0 374.415 -0.078 20 0 FBADRM COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)CN2CCOCC2)c1 ZINC000789567923 660900540 /nfs/dbraw/zinc/90/05/40/660900540.db2.gz ZDTHHNQTHMGMGX-UHFFFAOYSA-N -1 0 356.400 -0.249 20 0 FBADRM COc1cc(C)c(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)cc1OC ZINC000789569302 660900630 /nfs/dbraw/zinc/90/06/30/660900630.db2.gz GWCNUKPNFHCVAT-UHFFFAOYSA-N -1 0 370.387 -0.587 20 0 FBADRM COc1nc(Br)ccc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC000789569637 660900553 /nfs/dbraw/zinc/90/05/53/660900553.db2.gz CCLQFCXCXZMCLS-UHFFFAOYSA-N -1 0 356.140 -0.379 20 0 FBADRM COc1cc(C)c(S(=O)(=O)[N-]C(=O)CS(C)(=O)=O)cc1OC ZINC000789571376 660900558 /nfs/dbraw/zinc/90/05/58/660900558.db2.gz VKDKNVOOPFXPFM-UHFFFAOYSA-N -1 0 351.402 -0.138 20 0 FBADRM COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)C2CN(C(C)=O)C2)c1 ZINC000789572206 660900577 /nfs/dbraw/zinc/90/05/77/660900577.db2.gz UUDHJJCLLKUKAI-UHFFFAOYSA-N -1 0 354.384 -0.103 20 0 FBADRM COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)c1 ZINC000789572814 660900642 /nfs/dbraw/zinc/90/06/42/660900642.db2.gz VMKLYIUKBZKLEC-LLVKDONJSA-N -1 0 354.384 -0.055 20 0 FBADRM COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)c1 ZINC000789572817 660900611 /nfs/dbraw/zinc/90/06/11/660900611.db2.gz VMKLYIUKBZKLEC-NSHDSACASA-N -1 0 354.384 -0.055 20 0 FBADRM COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C2=O)c1 ZINC000789578545 660900605 /nfs/dbraw/zinc/90/06/05/660900605.db2.gz ZRMUSLZYOGOZMT-GFCCVEGCSA-N -1 0 354.384 -0.103 20 0 FBADRM COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C2=O)c1 ZINC000789578551 660900620 /nfs/dbraw/zinc/90/06/20/660900620.db2.gz ZRMUSLZYOGOZMT-LBPRGKRZSA-N -1 0 354.384 -0.103 20 0 FBADRM COc1nc(Br)ccc1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000789579368 660900591 /nfs/dbraw/zinc/90/05/91/660900591.db2.gz GXQNAALPMJIFQC-UHFFFAOYSA-N -1 0 371.151 -0.069 20 0 FBADRM COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)c1 ZINC000789581029 660900533 /nfs/dbraw/zinc/90/05/33/660900533.db2.gz RPYQSEAWNVXGII-UHFFFAOYSA-N -1 0 368.371 -0.985 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)OC)c1 ZINC000789584067 660900670 /nfs/dbraw/zinc/90/06/70/660900670.db2.gz QSFUICCGHKJIJB-UHFFFAOYSA-N -1 0 372.399 -0.476 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ncc2c(n1)CCC1(C2)OCCO1 ZINC000789737432 660900908 /nfs/dbraw/zinc/90/09/08/660900908.db2.gz MMJKXMAHXYHMAC-JTQLQIEISA-N -1 0 370.431 -0.073 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ncc2c(n1)CCC1(C2)OCCO1 ZINC000789737433 660900988 /nfs/dbraw/zinc/90/09/88/660900988.db2.gz MMJKXMAHXYHMAC-SNVBAGLBSA-N -1 0 370.431 -0.073 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nncn1C ZINC000789776216 660901223 /nfs/dbraw/zinc/90/12/23/660901223.db2.gz KFUUMRFUYASYEH-HLTSFMKQSA-N -1 0 364.449 -0.061 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Sc1nncn1C ZINC000789776220 660901197 /nfs/dbraw/zinc/90/11/97/660901197.db2.gz KFUUMRFUYASYEH-HRDYMLBCSA-N -1 0 364.449 -0.061 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nncn1C ZINC000789776224 660901214 /nfs/dbraw/zinc/90/12/14/660901214.db2.gz KFUUMRFUYASYEH-IWSPIJDZSA-N -1 0 364.449 -0.061 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Sc1nncn1C ZINC000789776228 660901139 /nfs/dbraw/zinc/90/11/39/660901139.db2.gz KFUUMRFUYASYEH-VGMNWLOBSA-N -1 0 364.449 -0.061 20 0 FBADRM Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)C(=O)[N-]OCC(N)=O ZINC000789776428 660901228 /nfs/dbraw/zinc/90/12/28/660901228.db2.gz PNGZGJKSHJIKHX-UHFFFAOYSA-N -1 0 353.285 -0.163 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)c1cccc(-n2cnnn2)c1 ZINC000789788796 660901238 /nfs/dbraw/zinc/90/12/38/660901238.db2.gz PKZNCHGWYWONSH-UHFFFAOYSA-N -1 0 359.371 -0.076 20 0 FBADRM CS(=O)(=O)N1CCc2cc(C(=O)[N-]S(=O)(=O)c3cc[nH]n3)ccc21 ZINC000789790188 660901234 /nfs/dbraw/zinc/90/12/34/660901234.db2.gz BHYNXYYVDZPERM-UHFFFAOYSA-N -1 0 370.412 -0.150 20 0 FBADRM CCn1c(=O)[nH]c2cc(C(=O)[N-]S(=O)(=O)c3cc[nH]n3)ccc2c1=O ZINC000789791075 660901220 /nfs/dbraw/zinc/90/12/20/660901220.db2.gz KRBPVQFVEJKNSJ-UHFFFAOYSA-N -1 0 363.355 -0.036 20 0 FBADRM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000789791289 660901052 /nfs/dbraw/zinc/90/10/52/660901052.db2.gz NHDIINBBTRJUCE-UHFFFAOYSA-N -1 0 363.355 -0.280 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)ccc1OCC(N)=O ZINC000789791385 660901202 /nfs/dbraw/zinc/90/12/02/660901202.db2.gz OTGBPGVLBFDRNX-UHFFFAOYSA-N -1 0 354.344 -0.599 20 0 FBADRM NC(=O)[C@H]1CC(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)=NN1c1ccccc1 ZINC000789791713 660901164 /nfs/dbraw/zinc/90/11/64/660901164.db2.gz RZDYVQOZSQPYSY-LLVKDONJSA-N -1 0 362.371 -0.665 20 0 FBADRM NC(=O)[C@@H]1CC(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)=NN1c1ccccc1 ZINC000789791714 660901200 /nfs/dbraw/zinc/90/12/00/660901200.db2.gz RZDYVQOZSQPYSY-NSHDSACASA-N -1 0 362.371 -0.665 20 0 FBADRM CNC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)cc1OC ZINC000789792152 660901131 /nfs/dbraw/zinc/90/11/31/660901131.db2.gz YLQYBTZYDHFFDD-UHFFFAOYSA-N -1 0 368.371 -0.338 20 0 FBADRM O=C(Cn1cc(Br)ccc1=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000789792208 660901161 /nfs/dbraw/zinc/90/11/61/660901161.db2.gz DUHAKOWZKLSZDP-UHFFFAOYSA-N -1 0 361.177 -0.161 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000789821634 660901047 /nfs/dbraw/zinc/90/10/47/660901047.db2.gz GDDVLTIIEXHVFV-UHFFFAOYSA-N -1 0 357.388 -0.240 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000789823676 660901030 /nfs/dbraw/zinc/90/10/30/660901030.db2.gz UKHLHKJDGOZTEP-UHFFFAOYSA-N -1 0 357.388 -0.141 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000789824329 660901206 /nfs/dbraw/zinc/90/12/06/660901206.db2.gz WVISBLKQVZJIFM-UHFFFAOYSA-N -1 0 357.388 -0.141 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000789824347 660901226 /nfs/dbraw/zinc/90/12/26/660901226.db2.gz XOSMYSMXAPDOHH-UHFFFAOYSA-N -1 0 370.793 -0.091 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)COC ZINC000789825110 660901063 /nfs/dbraw/zinc/90/10/63/660901063.db2.gz MCEWEJKQUWYDFO-UHFFFAOYSA-N -1 0 351.359 -0.145 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000789825569 660901172 /nfs/dbraw/zinc/90/11/72/660901172.db2.gz QIVJZBYEBFUIBE-UHFFFAOYSA-N -1 0 357.388 -0.359 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000789825577 660901204 /nfs/dbraw/zinc/90/12/04/660901204.db2.gz QLHVUNYNOQIDSJ-UHFFFAOYSA-N -1 0 361.376 -0.499 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1 ZINC000789826223 660901211 /nfs/dbraw/zinc/90/12/11/660901211.db2.gz MYMZTVHPVUNZFQ-UHFFFAOYSA-N -1 0 350.335 -0.388 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000789826850 660901194 /nfs/dbraw/zinc/90/11/94/660901194.db2.gz OILKYPJIWATTRX-UHFFFAOYSA-N -1 0 359.404 -0.122 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000789827411 660901496 /nfs/dbraw/zinc/90/14/96/660901496.db2.gz SDIPUGWLNDZMKK-UHFFFAOYSA-N -1 0 357.388 -0.240 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F ZINC000789827468 660901078 /nfs/dbraw/zinc/90/10/78/660901078.db2.gz RDURFZQZWOGOAF-UHFFFAOYSA-N -1 0 363.367 -0.291 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)OC)c1 ZINC000789827494 660901349 /nfs/dbraw/zinc/90/13/49/660901349.db2.gz SHQLXTCBKNHAPR-UHFFFAOYSA-N -1 0 354.315 -0.108 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000789874416 660901431 /nfs/dbraw/zinc/90/14/31/660901431.db2.gz HEWPBIBTXRDNOG-LBPRGKRZSA-N -1 0 366.384 -0.078 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1CCN(CC(N)=O)CC1 ZINC000789880560 660901525 /nfs/dbraw/zinc/90/15/25/660901525.db2.gz HKHSKSOISUFJCA-NSHDSACASA-N -1 0 352.357 -0.245 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000789881655 660901475 /nfs/dbraw/zinc/90/14/75/660901475.db2.gz RMJRABFKSYGDOA-VIFPVBQESA-N -1 0 359.370 -0.207 20 0 FBADRM COC(=O)C[C@@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C(=O)OC ZINC000789884542 660901533 /nfs/dbraw/zinc/90/15/33/660901533.db2.gz PQXHKKWOSGPPAS-APPZFPTMSA-N -1 0 356.297 -0.090 20 0 FBADRM COC(=O)C[C@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C(=O)OC ZINC000789884544 660901696 /nfs/dbraw/zinc/90/16/96/660901696.db2.gz PQXHKKWOSGPPAS-CBAPKCEASA-N -1 0 356.297 -0.090 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)CC1 ZINC000789891727 660901733 /nfs/dbraw/zinc/90/17/33/660901733.db2.gz WTIAQCUERVGPEZ-LBPRGKRZSA-N -1 0 366.384 -0.030 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000789908109 660901780 /nfs/dbraw/zinc/90/17/80/660901780.db2.gz HKXNKNHXSYNRIC-JTQLQIEISA-N -1 0 373.397 -0.464 20 0 FBADRM CCOC(=O)[C@@H](CO)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000789909498 660901811 /nfs/dbraw/zinc/90/18/11/660901811.db2.gz RKUDCHHXCTVLBO-LLVKDONJSA-N -1 0 351.384 -0.275 20 0 FBADRM CCOC(=O)[C@H](CO)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000789909503 660901749 /nfs/dbraw/zinc/90/17/49/660901749.db2.gz RKUDCHHXCTVLBO-NSHDSACASA-N -1 0 351.384 -0.275 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC(S(N)(=O)=O)CC1 ZINC000789928024 660902349 /nfs/dbraw/zinc/90/23/49/660902349.db2.gz AZYQQXQVCYYHQT-VIFPVBQESA-N -1 0 359.370 -0.031 20 0 FBADRM CCN=c1nc2[n-]nc(SCC(=O)Nc3cn[nH]n3)n2c(NCC)n1 ZINC000789928287 660902301 /nfs/dbraw/zinc/90/23/01/660902301.db2.gz JSDCAWWKYQPJOJ-UHFFFAOYSA-N -1 0 363.411 -0.346 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000789945609 660902325 /nfs/dbraw/zinc/90/23/25/660902325.db2.gz LICHZJACXNCCLV-BDAKNGLRSA-N -1 0 359.370 -0.031 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000789945612 660902341 /nfs/dbraw/zinc/90/23/41/660902341.db2.gz LICHZJACXNCCLV-IUCAKERBSA-N -1 0 359.370 -0.031 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCOCCS(C)(=O)=O ZINC000789962484 660902624 /nfs/dbraw/zinc/90/26/24/660902624.db2.gz XJIMHJDQXOCDSI-VIFPVBQESA-N -1 0 362.370 -0.133 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000789972677 660902566 /nfs/dbraw/zinc/90/25/66/660902566.db2.gz FCDUJXWCDMJNQV-SFYZADRCSA-N -1 0 350.297 -0.548 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000789972679 660902610 /nfs/dbraw/zinc/90/26/10/660902610.db2.gz FCDUJXWCDMJNQV-YUMQZZPRSA-N -1 0 350.297 -0.548 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N(CCO)CCN1CCOCC1 ZINC000789991912 660902632 /nfs/dbraw/zinc/90/26/32/660902632.db2.gz DMMRXNOGXFOFFB-LBPRGKRZSA-N -1 0 369.384 -0.157 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCCN1CCNC(=O)C1 ZINC000789999756 660902666 /nfs/dbraw/zinc/90/26/66/660902666.db2.gz RWPMFPQUDRVPFA-NSHDSACASA-N -1 0 352.357 -0.372 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000790036211 660902964 /nfs/dbraw/zinc/90/29/64/660902964.db2.gz CNQLNDQGLHUGFR-VIFPVBQESA-N -1 0 359.370 -0.303 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000790071975 660903317 /nfs/dbraw/zinc/90/33/17/660903317.db2.gz CRAIIESSSJFCSF-UHFFFAOYSA-N -1 0 370.362 -0.085 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000790076235 660903294 /nfs/dbraw/zinc/90/32/94/660903294.db2.gz FGUHIAUOEVQNGX-GHMZBOCLSA-N -1 0 350.356 -0.274 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)[C@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000790076240 660903343 /nfs/dbraw/zinc/90/33/43/660903343.db2.gz FGUHIAUOEVQNGX-MNOVXSKESA-N -1 0 350.356 -0.274 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000790076242 660903291 /nfs/dbraw/zinc/90/32/91/660903291.db2.gz FGUHIAUOEVQNGX-QWRGUYRKSA-N -1 0 350.356 -0.274 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000790076244 660903341 /nfs/dbraw/zinc/90/33/41/660903341.db2.gz FGUHIAUOEVQNGX-WDEREUQCSA-N -1 0 350.356 -0.274 20 0 FBADRM CON(C)S(=O)(=O)c1cccc(C(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000790077580 660903333 /nfs/dbraw/zinc/90/33/33/660903333.db2.gz UKFKILBXKQZTMH-UHFFFAOYSA-N -1 0 356.360 -0.483 20 0 FBADRM CON(C)S(=O)(=O)c1ccc(C(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000790078783 660903289 /nfs/dbraw/zinc/90/32/89/660903289.db2.gz HFBMLPHHYUJPGO-UHFFFAOYSA-N -1 0 356.360 -0.483 20 0 FBADRM CN(CC(=O)NCCc1nc(=O)o[n-]1)C1=NS(=O)(=O)c2ccccc21 ZINC000790079438 660903290 /nfs/dbraw/zinc/90/32/90/660903290.db2.gz KJMXBJHGIUJPQL-UHFFFAOYSA-N -1 0 365.371 -0.898 20 0 FBADRM NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000790079470 660903632 /nfs/dbraw/zinc/90/36/32/660903632.db2.gz LIFGJMJKYORTLZ-UHFFFAOYSA-N -1 0 364.742 -0.225 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000790079536 660903676 /nfs/dbraw/zinc/90/36/76/660903676.db2.gz MRIVKNJGCCDYDZ-UHFFFAOYSA-N -1 0 356.360 -0.287 20 0 FBADRM CCN(CC)S(=O)(=O)c1cc(C(=O)NCCc2nc(=O)o[n-]2)n(C)c1 ZINC000790080052 660903634 /nfs/dbraw/zinc/90/36/34/660903634.db2.gz UPNZZNXSGRWFFE-UHFFFAOYSA-N -1 0 371.419 -0.296 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000790232846 660904440 /nfs/dbraw/zinc/90/44/40/660904440.db2.gz DZNQZCLQPIOVIA-GFCCVEGCSA-N -1 0 350.297 -0.356 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000790232858 660904427 /nfs/dbraw/zinc/90/44/27/660904427.db2.gz DZNQZCLQPIOVIA-LBPRGKRZSA-N -1 0 350.297 -0.356 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]N=c1cc(Cl)nc(N)[nH]1 ZINC000790397685 660905542 /nfs/dbraw/zinc/90/55/42/660905542.db2.gz LALQWQBOMBSGIN-UHFFFAOYSA-N -1 0 361.771 -0.083 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]N=c1cc(Cl)nc(N)[nH]1 ZINC000790397926 660905570 /nfs/dbraw/zinc/90/55/70/660905570.db2.gz IMLKMOZJLBLJKH-UHFFFAOYSA-N -1 0 361.771 -0.164 20 0 FBADRM COC(=O)[C@H](CS(=O)(=O)C=C([O-])c1cc(C)n(C)c1C)NC(C)=O ZINC000790624085 660906136 /nfs/dbraw/zinc/90/61/36/660906136.db2.gz MTSRBTAHEPGVJL-ZDUSSCGKSA-N -1 0 358.416 -0.083 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000790624491 660906045 /nfs/dbraw/zinc/90/60/45/660906045.db2.gz UAEIIONPEDICGF-GFCCVEGCSA-N -1 0 373.408 -0.067 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000790624511 660906302 /nfs/dbraw/zinc/90/63/02/660906302.db2.gz UAEIIONPEDICGF-LBPRGKRZSA-N -1 0 373.408 -0.067 20 0 FBADRM COC(=O)c1cn(CCNS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)nn1 ZINC000790638504 660906229 /nfs/dbraw/zinc/90/62/29/660906229.db2.gz CLAFAZNAFTXAIJ-UHFFFAOYSA-N -1 0 372.334 -0.120 20 0 FBADRM COC(=O)c1cn(CCNS(=O)(=O)c2cc(C(=O)[O-])ccc2F)nn1 ZINC000790640580 660906326 /nfs/dbraw/zinc/90/63/26/660906326.db2.gz NQFKSLSJHYMCEI-UHFFFAOYSA-N -1 0 372.334 -0.120 20 0 FBADRM O=C(CN1CCOCC1=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000790744339 660907605 /nfs/dbraw/zinc/90/76/05/660907605.db2.gz RLVGTUQDKTWANA-UHFFFAOYSA-N -1 0 353.356 -0.590 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)cc1OC ZINC000790763307 660907648 /nfs/dbraw/zinc/90/76/48/660907648.db2.gz BAUMMTDKXOKVQE-UHFFFAOYSA-N -1 0 358.372 -0.633 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)cc1 ZINC000790763435 660907696 /nfs/dbraw/zinc/90/76/96/660907696.db2.gz CSUBLKWGMTVVFT-UHFFFAOYSA-N -1 0 355.372 -0.691 20 0 FBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000790763962 660907942 /nfs/dbraw/zinc/90/79/42/660907942.db2.gz DDPLMKYPKJFHDM-UHFFFAOYSA-N -1 0 356.356 -0.879 20 0 FBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC000790766244 660907958 /nfs/dbraw/zinc/90/79/58/660907958.db2.gz CTYPKGCDUNGBSC-UHFFFAOYSA-N -1 0 353.356 -0.367 20 0 FBADRM COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)c1 ZINC000790766457 660907990 /nfs/dbraw/zinc/90/79/90/660907990.db2.gz WVQOBRHUEUWRFT-UHFFFAOYSA-N -1 0 358.372 -0.633 20 0 FBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000790767118 660907911 /nfs/dbraw/zinc/90/79/11/660907911.db2.gz FEQXCLDJFXJOOM-UHFFFAOYSA-N -1 0 364.383 -0.464 20 0 FBADRM COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)CN2CCOCC2=O)cc1 ZINC000790767606 660907968 /nfs/dbraw/zinc/90/79/68/660907968.db2.gz HPVAVCOXODISRG-UHFFFAOYSA-N -1 0 370.383 -0.722 20 0 FBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000790767918 660907966 /nfs/dbraw/zinc/90/79/66/660907966.db2.gz QZVKTQJJROUMCX-UHFFFAOYSA-N -1 0 370.383 -0.488 20 0 FBADRM COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)CN1CCOCC1=O ZINC000790768075 660907991 /nfs/dbraw/zinc/90/79/91/660907991.db2.gz SHNSUEKMUJCPOX-UHFFFAOYSA-N -1 0 362.385 -0.802 20 0 FBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000790768365 660907997 /nfs/dbraw/zinc/90/79/97/660907997.db2.gz VWJTWRPKAODPAV-UHFFFAOYSA-N -1 0 367.383 -0.765 20 0 FBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000790768798 660907940 /nfs/dbraw/zinc/90/79/40/660907940.db2.gz OSZBJODMSDLCOY-UHFFFAOYSA-N -1 0 372.790 -0.349 20 0 FBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)N1CCc2sccc2C1 ZINC000790771174 660908009 /nfs/dbraw/zinc/90/80/09/660908009.db2.gz HNUODUNPFJFVGY-UHFFFAOYSA-N -1 0 359.429 -0.674 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)s1 ZINC000790771800 660908016 /nfs/dbraw/zinc/90/80/16/660908016.db2.gz DIEPGIAUASSSNH-UHFFFAOYSA-N -1 0 362.385 -0.802 20 0 FBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)N1CCCc2ccccc21 ZINC000790774198 660907963 /nfs/dbraw/zinc/90/79/63/660907963.db2.gz VXSYBOKIEBIGES-UHFFFAOYSA-N -1 0 353.400 -0.341 20 0 FBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)N1CCc2ccccc2C1 ZINC000790774647 660908261 /nfs/dbraw/zinc/90/82/61/660908261.db2.gz ZDSDFVMTQGKAOT-UHFFFAOYSA-N -1 0 353.400 -0.736 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)c1 ZINC000790774660 660908184 /nfs/dbraw/zinc/90/81/84/660908184.db2.gz ZMEVVLDSVSDMJJ-UHFFFAOYSA-N -1 0 356.356 -0.863 20 0 FBADRM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)c1 ZINC000790776160 660908252 /nfs/dbraw/zinc/90/82/52/660908252.db2.gz GBHGRGQKWHEWRH-UHFFFAOYSA-N -1 0 369.399 -0.948 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)c(C)c1C ZINC000790777124 660908173 /nfs/dbraw/zinc/90/81/73/660908173.db2.gz IAMPINLECDKKMA-UHFFFAOYSA-N -1 0 356.400 -0.024 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cn1ccc2ccccc2c1=O ZINC000790783661 660908242 /nfs/dbraw/zinc/90/82/42/660908242.db2.gz CBZUWSUWQFXLES-UHFFFAOYSA-N -1 0 353.400 -0.059 20 0 FBADRM O=C(Cn1ccc2ccccc2c1=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000790784610 660908146 /nfs/dbraw/zinc/90/81/46/660908146.db2.gz OTIFFWDWECYRIX-UHFFFAOYSA-N -1 0 351.384 -0.305 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)cc1N(C)C ZINC000790785968 660908149 /nfs/dbraw/zinc/90/81/49/660908149.db2.gz PTXFQSAAJNZTLN-UHFFFAOYSA-N -1 0 355.416 -0.275 20 0 FBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000790786295 660908154 /nfs/dbraw/zinc/90/81/54/660908154.db2.gz VYFNGMZKYMRHFN-UHFFFAOYSA-N -1 0 367.305 -0.236 20 0 FBADRM CN1CCCc2ccc(S(=O)(=O)[N-]C(=O)CN3CCOCC3=O)cc21 ZINC000790786390 660908250 /nfs/dbraw/zinc/90/82/50/660908250.db2.gz VFGVCIZTWHPWGD-UHFFFAOYSA-N -1 0 367.427 -0.267 20 0 FBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)c1cccc(-c2nnco2)c1 ZINC000790786657 660908227 /nfs/dbraw/zinc/90/82/27/660908227.db2.gz XUPGOKXKNXATRI-UHFFFAOYSA-N -1 0 366.355 -0.600 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)c2ccccc21 ZINC000790788503 660908236 /nfs/dbraw/zinc/90/82/36/660908236.db2.gz QSIXOEGMCNRNOR-UHFFFAOYSA-N -1 0 351.384 -0.158 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)CN1CCOCC1=O ZINC000790788888 660908229 /nfs/dbraw/zinc/90/82/29/660908229.db2.gz VGJCQJGYYXURSH-UHFFFAOYSA-N -1 0 358.420 -0.791 20 0 FBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000790790955 660908259 /nfs/dbraw/zinc/90/82/59/660908259.db2.gz AXTFHFPCKFHYIJ-UHFFFAOYSA-N -1 0 368.411 -0.531 20 0 FBADRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]C(=O)CN1CCOCC1=O ZINC000790791192 660908187 /nfs/dbraw/zinc/90/81/87/660908187.db2.gz FDNDLBIGIBNGOS-UHFFFAOYSA-N -1 0 372.447 -0.180 20 0 FBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)c1cc(Cl)cc2c1OCC2 ZINC000790791213 660908202 /nfs/dbraw/zinc/90/82/02/660908202.db2.gz FIZIQWOABZALOI-UHFFFAOYSA-N -1 0 374.802 -0.061 20 0 FBADRM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)cc1 ZINC000790791647 660908204 /nfs/dbraw/zinc/90/82/04/660908204.db2.gz SMYYFFAUHMVCLZ-UHFFFAOYSA-N -1 0 369.399 -0.948 20 0 FBADRM COc1ccc(CCS(=O)(=O)[N-]C(=O)CN2CCOCC2=O)cc1 ZINC000790792347 660908197 /nfs/dbraw/zinc/90/81/97/660908197.db2.gz NCFUSZGREGPOHD-UHFFFAOYSA-N -1 0 356.400 -0.458 20 0 FBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000790795076 660908158 /nfs/dbraw/zinc/90/81/58/660908158.db2.gz MOCPCWQJGQEIHG-UHFFFAOYSA-N -1 0 354.384 -0.325 20 0 FBADRM CCOC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)c1 ZINC000790795440 660908505 /nfs/dbraw/zinc/90/85/05/660908505.db2.gz ZWAFUTYCRQSTHG-UHFFFAOYSA-N -1 0 370.383 -0.473 20 0 FBADRM COc1cc(OC)cc(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)c1 ZINC000790798457 660908532 /nfs/dbraw/zinc/90/85/32/660908532.db2.gz GVJZCBCBQUVDOW-UHFFFAOYSA-N -1 0 358.372 -0.633 20 0 FBADRM COc1cc(C)c(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)cc1OC ZINC000790800244 660908503 /nfs/dbraw/zinc/90/85/03/660908503.db2.gz HTNVCBBLDVDVJY-UHFFFAOYSA-N -1 0 372.399 -0.324 20 0 FBADRM COc1cc(C)c(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)cc1C ZINC000790802016 660908497 /nfs/dbraw/zinc/90/84/97/660908497.db2.gz SBABRSBMZBVERE-UHFFFAOYSA-N -1 0 356.400 -0.024 20 0 FBADRM COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)CN2CCOCC2=O)c1 ZINC000790802644 660908550 /nfs/dbraw/zinc/90/85/50/660908550.db2.gz XNLUJRHXLSOFIV-UHFFFAOYSA-N -1 0 370.383 -0.722 20 0 FBADRM Cc1cc(C(=O)NC[C@@H](O)C(N)=O)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000791253056 660910383 /nfs/dbraw/zinc/91/03/83/660910383.db2.gz DODUXCIHFNBZMN-SECBINFHSA-N -1 0 369.321 -0.167 20 0 FBADRM Cc1cc(C(=O)NC[C@H](O)C(N)=O)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000791253062 660910409 /nfs/dbraw/zinc/91/04/09/660910409.db2.gz DODUXCIHFNBZMN-VIFPVBQESA-N -1 0 369.321 -0.167 20 0 FBADRM COc1cncc(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)n1 ZINC000791758007 660912388 /nfs/dbraw/zinc/91/23/88/660912388.db2.gz CJXNVHFIGUYLIC-UHFFFAOYSA-N -1 0 361.343 -0.420 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)C(F)(F)C2CCOCC2)cc1C(N)=O ZINC000791761391 660912467 /nfs/dbraw/zinc/91/24/67/660912467.db2.gz BQPHULQPXWKULY-UHFFFAOYSA-N -1 0 365.358 -0.009 20 0 FBADRM COc1cncc(C(=O)[N-]S(=O)(=O)c2ncccc2C(=O)N(C)C)n1 ZINC000791761672 660912320 /nfs/dbraw/zinc/91/23/20/660912320.db2.gz FAUYTRAGVDUOQJ-UHFFFAOYSA-N -1 0 365.371 -0.299 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cn(C(C)(C)C)nn2)cc1C(N)=O ZINC000791762192 660912451 /nfs/dbraw/zinc/91/24/51/660912451.db2.gz HOEIEDQZRCIWTJ-UHFFFAOYSA-N -1 0 354.392 -0.411 20 0 FBADRM CSc1c(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cnn1C ZINC000791762965 660912401 /nfs/dbraw/zinc/91/24/01/660912401.db2.gz KNBJTVFRCHBNFX-UHFFFAOYSA-N -1 0 357.417 -0.302 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cncc(OC)n2)CC1 ZINC000791782144 660912771 /nfs/dbraw/zinc/91/27/71/660912771.db2.gz BYMKCDLIWVSJJI-UHFFFAOYSA-N -1 0 358.376 -0.655 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CCOCC(F)F)CC1 ZINC000791785622 660912770 /nfs/dbraw/zinc/91/27/70/660912770.db2.gz MMYQABVJOIPBHX-UHFFFAOYSA-N -1 0 358.363 -0.096 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cn(C(C)(C)C)nn2)CC1 ZINC000791785883 660912765 /nfs/dbraw/zinc/91/27/65/660912765.db2.gz OCYMRKDVVUWQAD-UHFFFAOYSA-N -1 0 373.435 -0.107 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)[C@H]2CCCCS2(=O)=O)c1Cl ZINC000791787936 660912762 /nfs/dbraw/zinc/91/27/62/660912762.db2.gz HWZFIYMFSOTLOO-SSDOTTSWSA-N -1 0 355.825 -0.154 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCS2(=O)=O)c1Cl ZINC000791787937 660912785 /nfs/dbraw/zinc/91/27/85/660912785.db2.gz HWZFIYMFSOTLOO-ZETCQYMHSA-N -1 0 355.825 -0.154 20 0 FBADRM COc1cncc(C(=O)[N-]S(=O)(=O)c2ccc(CNC(N)=O)cc2)n1 ZINC000791790099 660912767 /nfs/dbraw/zinc/91/27/67/660912767.db2.gz XUZUPMJFBUQHAY-UHFFFAOYSA-N -1 0 365.371 -0.228 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cncc(OC)n1 ZINC000791800352 660912780 /nfs/dbraw/zinc/91/27/80/660912780.db2.gz GXGAADSDTLFHHX-JTQLQIEISA-N -1 0 358.376 -0.513 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cncc(OC)n1 ZINC000791800354 660912759 /nfs/dbraw/zinc/91/27/59/660912759.db2.gz GXGAADSDTLFHHX-SNVBAGLBSA-N -1 0 358.376 -0.513 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCCS2(=O)=O)cc1C(N)=O ZINC000791804762 660912779 /nfs/dbraw/zinc/91/27/79/660912779.db2.gz VVCATOUHLNGOSE-GFCCVEGCSA-N -1 0 374.440 -0.134 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCS2(=O)=O)cc1C(N)=O ZINC000791804763 660912655 /nfs/dbraw/zinc/91/26/55/660912655.db2.gz VVCATOUHLNGOSE-LBPRGKRZSA-N -1 0 374.440 -0.134 20 0 FBADRM COc1cncc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)n1 ZINC000791814734 660913106 /nfs/dbraw/zinc/91/31/06/660913106.db2.gz RLHIVEBPLGQXIZ-UHFFFAOYSA-N -1 0 362.367 -0.110 20 0 FBADRM O=C(CCOCC(F)(F)C(F)F)[N-]S(=O)(=O)N1CCOCC1 ZINC000791820518 660912955 /nfs/dbraw/zinc/91/29/55/660912955.db2.gz LWYMBUMXMCRUOO-UHFFFAOYSA-N -1 0 352.306 -0.013 20 0 FBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c1Br ZINC000791821037 660913081 /nfs/dbraw/zinc/91/30/81/660913081.db2.gz PPPMQVPTGJOBEE-UHFFFAOYSA-N -1 0 353.198 -0.511 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1Br ZINC000791830341 660912944 /nfs/dbraw/zinc/91/29/44/660912944.db2.gz PFJKOSMLLLFAIY-UHFFFAOYSA-N -1 0 355.214 -0.265 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cnn(C)c1Br ZINC000791835475 660912986 /nfs/dbraw/zinc/91/29/86/660912986.db2.gz DHUMFMQPIRNAEZ-UHFFFAOYSA-N -1 0 370.225 -0.095 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)CCOCC(F)F)s1 ZINC000791849455 660913347 /nfs/dbraw/zinc/91/33/47/660913347.db2.gz JBZKCODSQVIMKE-UHFFFAOYSA-N -1 0 358.348 -0.027 20 0 FBADRM COc1cncc(C(=O)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)n1 ZINC000791851239 660913247 /nfs/dbraw/zinc/91/32/47/660913247.db2.gz QRHKUVNSYKRUJE-UHFFFAOYSA-N -1 0 358.361 -0.586 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2cn(C(C)(C)C)nn2)s1 ZINC000791852619 660913325 /nfs/dbraw/zinc/91/33/25/660913325.db2.gz YQUUMUBGYAPSCU-UHFFFAOYSA-N -1 0 373.420 -0.038 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCCS2(=O)=O)cc1 ZINC000791865730 660913228 /nfs/dbraw/zinc/91/32/28/660913228.db2.gz ICSUGMOYIYNSNC-GFCCVEGCSA-N -1 0 374.440 -0.182 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCS2(=O)=O)cc1 ZINC000791865732 660913364 /nfs/dbraw/zinc/91/33/64/660913364.db2.gz ICSUGMOYIYNSNC-LBPRGKRZSA-N -1 0 374.440 -0.182 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cncc(OC)n2)cc1 ZINC000791867663 660913350 /nfs/dbraw/zinc/91/33/50/660913350.db2.gz XGYZUKPUPUFNRA-UHFFFAOYSA-N -1 0 350.356 -0.037 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)c1cncc(OC)n1 ZINC000791872654 660913268 /nfs/dbraw/zinc/91/32/68/660913268.db2.gz JVMVPQJIGULTRJ-UHFFFAOYSA-N -1 0 358.357 -0.153 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)CC(N)=O)nnn1Cc1ccc(F)cc1F ZINC000791873589 660913344 /nfs/dbraw/zinc/91/33/44/660913344.db2.gz RMIYDIPOBPHSSU-UHFFFAOYSA-N -1 0 373.341 -0.542 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn(CC(F)F)c1)[C@H]1CCCCS1(=O)=O ZINC000791889339 660913549 /nfs/dbraw/zinc/91/35/49/660913549.db2.gz PHBDHMADDGYCII-SECBINFHSA-N -1 0 371.387 -0.080 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn(CC(F)F)c1)[C@@H]1CCCCS1(=O)=O ZINC000791889341 660913647 /nfs/dbraw/zinc/91/36/47/660913647.db2.gz PHBDHMADDGYCII-VIFPVBQESA-N -1 0 371.387 -0.080 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000791935260 660913827 /nfs/dbraw/zinc/91/38/27/660913827.db2.gz LRNRHYQOUIWMDP-JTQLQIEISA-N -1 0 365.408 -0.160 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000791935264 660914174 /nfs/dbraw/zinc/91/41/74/660914174.db2.gz LRNRHYQOUIWMDP-SNVBAGLBSA-N -1 0 365.408 -0.160 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)[N-]S(=O)(=O)c1ncccc1F)c2=O ZINC000791935389 660914133 /nfs/dbraw/zinc/91/41/33/660914133.db2.gz PQOVTUQGROWWIY-UHFFFAOYSA-N -1 0 366.334 -0.831 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000791937201 660914228 /nfs/dbraw/zinc/91/42/28/660914228.db2.gz FHFGXXFJSXKISG-UHFFFAOYSA-N -1 0 353.397 -0.303 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)c2ncccc2F)C1=O ZINC000791939958 660914208 /nfs/dbraw/zinc/91/42/08/660914208.db2.gz OEXTZLFJCOSELN-AWEZNQCLSA-N -1 0 370.362 -0.254 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)c2ncccc2F)C1=O ZINC000791939965 660914176 /nfs/dbraw/zinc/91/41/76/660914176.db2.gz OEXTZLFJCOSELN-CQSZACIVSA-N -1 0 370.362 -0.254 20 0 FBADRM CC1(Cn2cc(C(=O)[N-]S(=O)(=O)c3ncccc3F)nn2)COC1 ZINC000791941795 660914192 /nfs/dbraw/zinc/91/41/92/660914192.db2.gz NKUIVCUSTNEWJI-UHFFFAOYSA-N -1 0 355.351 -0.033 20 0 FBADRM O=C(CCN1CCCS1(=O)=O)[N-]S(=O)(=O)c1ncccc1F ZINC000791943097 660914067 /nfs/dbraw/zinc/91/40/67/660914067.db2.gz GETMKSJOGGGPNI-UHFFFAOYSA-N -1 0 351.381 -0.549 20 0 FBADRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)c2ncccc2F)c(=O)n(C)c1=O ZINC000791943208 660914258 /nfs/dbraw/zinc/91/42/58/660914258.db2.gz KXEAIWOCUOTBAB-AATRIKPKSA-N -1 0 368.346 -0.864 20 0 FBADRM Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)c2ncccc2F)c(=O)n(C)c1=O ZINC000791943211 660914243 /nfs/dbraw/zinc/91/42/43/660914243.db2.gz KXEAIWOCUOTBAB-WAYWQWQTSA-N -1 0 368.346 -0.864 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000791943522 660914248 /nfs/dbraw/zinc/91/42/48/660914248.db2.gz GYYUNOLVAZRVFN-LLVKDONJSA-N -1 0 372.378 -0.847 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000791943523 660914154 /nfs/dbraw/zinc/91/41/54/660914154.db2.gz GYYUNOLVAZRVFN-NSHDSACASA-N -1 0 372.378 -0.847 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000791943539 660914081 /nfs/dbraw/zinc/91/40/81/660914081.db2.gz HRSCDWOTADFMKP-SECBINFHSA-N -1 0 351.381 -0.550 20 0 FBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000791943540 660914204 /nfs/dbraw/zinc/91/42/04/660914204.db2.gz HRSCDWOTADFMKP-VIFPVBQESA-N -1 0 351.381 -0.550 20 0 FBADRM O=C(Cn1nnc2ccccc2c1=O)[N-]S(=O)(=O)c1ncccc1F ZINC000791947427 660914184 /nfs/dbraw/zinc/91/41/84/660914184.db2.gz JVFUXIQGEZNMRT-UHFFFAOYSA-N -1 0 363.330 -0.169 20 0 FBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)c1ncccc1F ZINC000791947724 660914181 /nfs/dbraw/zinc/91/41/81/660914181.db2.gz NMWIXKSARVTWFT-UHFFFAOYSA-N -1 0 370.362 -0.110 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2ncccc2F)nn1 ZINC000791948081 660914090 /nfs/dbraw/zinc/91/40/90/660914090.db2.gz UBLIJMFRNMWDRF-UHFFFAOYSA-N -1 0 356.339 -0.981 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1)S(C)(=O)=O ZINC000791957381 660914215 /nfs/dbraw/zinc/91/42/15/660914215.db2.gz AOTPWOVPWXBOBP-UHFFFAOYSA-N -1 0 357.413 -0.069 20 0 FBADRM NC(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2cnc3ccccc3c2)nn1 ZINC000791958810 660914419 /nfs/dbraw/zinc/91/44/19/660914419.db2.gz QWXSHVAHYZHCGT-UHFFFAOYSA-N -1 0 360.355 -0.570 20 0 FBADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)c(C)c1 ZINC000792059034 660915296 /nfs/dbraw/zinc/91/52/96/660915296.db2.gz IURWZGQLUVPUOC-UHFFFAOYSA-N -1 0 365.411 -0.190 20 0 FBADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)c(C)c1 ZINC000792059135 660915230 /nfs/dbraw/zinc/91/52/30/660915230.db2.gz JDHDYKUDXKZBQW-UHFFFAOYSA-N -1 0 365.411 -0.039 20 0 FBADRM Cc1cc(F)ccc1CS(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O ZINC000792062183 660915181 /nfs/dbraw/zinc/91/51/81/660915181.db2.gz PEHQHOBWVQDMOO-UHFFFAOYSA-N -1 0 352.409 -0.028 20 0 FBADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)c(C)c1 ZINC000792063010 660915218 /nfs/dbraw/zinc/91/52/18/660915218.db2.gz VXDQEGDQTFVBKJ-UHFFFAOYSA-N -1 0 351.388 -0.360 20 0 FBADRM Cc1cc(F)ccc1CS(=O)(=O)[N-]C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000792064547 660915138 /nfs/dbraw/zinc/91/51/38/660915138.db2.gz BPYPHATWRFFDKN-UHFFFAOYSA-N -1 0 369.374 -0.209 20 0 FBADRM Cc1cc(F)ccc1CS(=O)(=O)[N-]C(=O)Cn1ccc(=O)n(C)c1=O ZINC000792065412 660915243 /nfs/dbraw/zinc/91/52/43/660915243.db2.gz WYIXSVIVKGYOQZ-UHFFFAOYSA-N -1 0 369.374 -0.359 20 0 FBADRM Cc1cc(F)ccc1CS(=O)(=O)[N-]C(=O)c1cn(CC(N)=O)nn1 ZINC000792066779 660915274 /nfs/dbraw/zinc/91/52/74/660915274.db2.gz AFYGJQKRHPDJQI-UHFFFAOYSA-N -1 0 355.351 -0.529 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)c(C)c1 ZINC000792073713 660915532 /nfs/dbraw/zinc/91/55/32/660915532.db2.gz BQRBBIBMPOHQJW-UHFFFAOYSA-N -1 0 354.388 -0.206 20 0 FBADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O)c(F)c1 ZINC000792078736 660915618 /nfs/dbraw/zinc/91/56/18/660915618.db2.gz QHVIRWVKVLIIFO-UHFFFAOYSA-N -1 0 352.409 -0.028 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)c(C)c1 ZINC000792079127 660915581 /nfs/dbraw/zinc/91/55/81/660915581.db2.gz QXKTYLBOROQDGR-UHFFFAOYSA-N -1 0 367.387 -0.411 20 0 FBADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)c(F)c1 ZINC000792079995 660915620 /nfs/dbraw/zinc/91/56/20/660915620.db2.gz BHMXRGXBVYGZHQ-UHFFFAOYSA-N -1 0 369.374 -0.209 20 0 FBADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)c(F)c1 ZINC000792080040 660915542 /nfs/dbraw/zinc/91/55/42/660915542.db2.gz CWPQQCANNQYAEW-UHFFFAOYSA-N -1 0 369.374 -0.359 20 0 FBADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)c(F)c1 ZINC000792084813 660915595 /nfs/dbraw/zinc/91/55/95/660915595.db2.gz SZYZPXOAXREPFJ-UHFFFAOYSA-N -1 0 355.351 -0.529 20 0 FBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792091188 660915470 /nfs/dbraw/zinc/91/54/70/660915470.db2.gz RQFXJROWAVRENE-UHFFFAOYSA-N -1 0 363.436 -0.032 20 0 FBADRM O=C(CC1OCCCO1)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000793108627 660920490 /nfs/dbraw/zinc/92/04/90/660920490.db2.gz BJMPVMZGWPNFDT-UHFFFAOYSA-N -1 0 353.360 -0.380 20 0 FBADRM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)c1cnn(C)n1 ZINC000793108632 660920444 /nfs/dbraw/zinc/92/04/44/660920444.db2.gz BMPOCCXAIZHOHC-UHFFFAOYSA-N -1 0 353.360 -0.099 20 0 FBADRM COC1(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)CCOCC1 ZINC000793109073 660920548 /nfs/dbraw/zinc/92/05/48/660920548.db2.gz IVYBHJRZJCSOHJ-UHFFFAOYSA-N -1 0 367.387 -0.337 20 0 FBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)n1 ZINC000793113112 660920479 /nfs/dbraw/zinc/92/04/79/660920479.db2.gz RIQUZWBARQYSKT-UHFFFAOYSA-N -1 0 363.355 -0.829 20 0 FBADRM COCc1ncsc1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000793113557 660920472 /nfs/dbraw/zinc/92/04/72/660920472.db2.gz TZGCLRYMQGSCCW-UHFFFAOYSA-N -1 0 358.401 -0.154 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)CC2OCCCO2)c1 ZINC000793123536 660920450 /nfs/dbraw/zinc/92/04/50/660920450.db2.gz YSTJHJUFBYMXLU-UHFFFAOYSA-N -1 0 367.387 -0.165 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CC2OCCCO2)CC1 ZINC000793124128 660920509 /nfs/dbraw/zinc/92/05/09/660920509.db2.gz ASEWRYGFBWOYGK-UHFFFAOYSA-N -1 0 350.393 -0.615 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)COCc2ccnn2C)CC1 ZINC000793124214 660920555 /nfs/dbraw/zinc/92/05/55/660920555.db2.gz CHFQKJIEMUDADA-UHFFFAOYSA-N -1 0 374.419 -0.817 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)c2cnn(C)n2)s1 ZINC000793127914 660920576 /nfs/dbraw/zinc/92/05/76/660920576.db2.gz SANLFYJAQGLARS-UHFFFAOYSA-N -1 0 357.417 -0.326 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)C2(OC)CCOCC2)CC1 ZINC000793128050 660920820 /nfs/dbraw/zinc/92/08/20/660920820.db2.gz SPLUQFOTRYBTLO-UHFFFAOYSA-N -1 0 364.420 -0.572 20 0 FBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)N2CCN(Cc3ccccc3)CC2)n1 ZINC000793137372 660920795 /nfs/dbraw/zinc/92/07/95/660920795.db2.gz JHKIQKULIHUVFU-UHFFFAOYSA-N -1 0 364.431 -0.393 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)C1(OC)CCOCC1 ZINC000793139424 660920799 /nfs/dbraw/zinc/92/07/99/660920799.db2.gz FOFLJLLGAIZDIL-LLVKDONJSA-N -1 0 364.420 -0.430 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)C1(OC)CCOCC1 ZINC000793139427 660920758 /nfs/dbraw/zinc/92/07/58/660920758.db2.gz FOFLJLLGAIZDIL-NSHDSACASA-N -1 0 364.420 -0.430 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)COCc1ccnn1C ZINC000793140185 660920771 /nfs/dbraw/zinc/92/07/71/660920771.db2.gz JNTDWYFQBMOWSM-GFCCVEGCSA-N -1 0 374.419 -0.675 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)COCc1ccnn1C ZINC000793140191 660920807 /nfs/dbraw/zinc/92/08/07/660920807.db2.gz JNTDWYFQBMOWSM-LBPRGKRZSA-N -1 0 374.419 -0.675 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CC1OCCCO1 ZINC000793142380 660920857 /nfs/dbraw/zinc/92/08/57/660920857.db2.gz SPCMEONYTTYJTQ-JTQLQIEISA-N -1 0 350.393 -0.472 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CC1OCCCO1 ZINC000793142384 660920833 /nfs/dbraw/zinc/92/08/33/660920833.db2.gz SPCMEONYTTYJTQ-SNVBAGLBSA-N -1 0 350.393 -0.472 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)COCc2ccnn2C)cc1C(N)=O ZINC000793144288 660920782 /nfs/dbraw/zinc/92/07/82/660920782.db2.gz PAGJAQRTYPPMCA-UHFFFAOYSA-N -1 0 366.399 -0.151 20 0 FBADRM O=C(CC1OCCCO1)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000793156579 660920753 /nfs/dbraw/zinc/92/07/53/660920753.db2.gz RDRHKFCYOUFKCW-UHFFFAOYSA-N -1 0 354.384 -0.070 20 0 FBADRM COC1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CCOCC1 ZINC000793157710 660920775 /nfs/dbraw/zinc/92/07/75/660920775.db2.gz XSNOPUOHAIJTMY-UHFFFAOYSA-N -1 0 368.411 -0.027 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000793157828 660920816 /nfs/dbraw/zinc/92/08/16/660920816.db2.gz IBYVHCXKJWRRIV-GFCCVEGCSA-N -1 0 374.440 -0.359 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000793157830 660920762 /nfs/dbraw/zinc/92/07/62/660920762.db2.gz IBYVHCXKJWRRIV-LBPRGKRZSA-N -1 0 374.440 -0.359 20 0 FBADRM CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)ccc1F ZINC000793164998 660920822 /nfs/dbraw/zinc/92/08/22/660920822.db2.gz VQZJUPGDXLIXQV-UHFFFAOYSA-N -1 0 366.392 -0.464 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000793172091 660920827 /nfs/dbraw/zinc/92/08/27/660920827.db2.gz BHNSTVYEOGYRLW-UHFFFAOYSA-N -1 0 368.408 -0.218 20 0 FBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000793178533 660920847 /nfs/dbraw/zinc/92/08/47/660920847.db2.gz GCZHAJPMDKZSTI-SECBINFHSA-N -1 0 359.408 -0.116 20 0 FBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000793178538 660920801 /nfs/dbraw/zinc/92/08/01/660920801.db2.gz GCZHAJPMDKZSTI-VIFPVBQESA-N -1 0 359.408 -0.116 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cnc(OCC2CC2)cn1 ZINC000793179306 660921073 /nfs/dbraw/zinc/92/10/73/660921073.db2.gz KFXFLPYWLVDZOO-UHFFFAOYSA-N -1 0 359.404 -0.012 20 0 FBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)n1 ZINC000793179635 660921035 /nfs/dbraw/zinc/92/10/35/660921035.db2.gz VPVBCBWNQADVJW-UHFFFAOYSA-N -1 0 371.762 -0.082 20 0 FBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)n1 ZINC000793184604 660921092 /nfs/dbraw/zinc/92/10/92/660921092.db2.gz RBDHAOPJRVENCK-UHFFFAOYSA-N -1 0 373.778 -0.549 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)COCc2ccnn2C)cc1 ZINC000793190444 660921043 /nfs/dbraw/zinc/92/10/43/660921043.db2.gz OEAJNVCERVDNPM-UHFFFAOYSA-N -1 0 366.399 -0.199 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)CC3OCCCO3)cc2n(C)c1=O ZINC000793221950 660921320 /nfs/dbraw/zinc/92/13/20/660921320.db2.gz CLTCOJRPSQGCSS-UHFFFAOYSA-N -1 0 369.399 -0.165 20 0 FBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)n1 ZINC000793224057 660921316 /nfs/dbraw/zinc/92/13/16/660921316.db2.gz QUWXCYVBWUFDLR-UHFFFAOYSA-N -1 0 350.360 -0.876 20 0 FBADRM Cn1nccc1COCC(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000793276712 660921282 /nfs/dbraw/zinc/92/12/82/660921282.db2.gz BOJYNJITHGQKSX-UHFFFAOYSA-N -1 0 363.346 -0.097 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)CC3OCCCO3)cc2C1=O ZINC000793277567 660921369 /nfs/dbraw/zinc/92/13/69/660921369.db2.gz IAXTYWHLXBGRTK-UHFFFAOYSA-N -1 0 368.367 -0.130 20 0 FBADRM COc1cc(OC)c(S(=O)(=O)[N-]C(=O)c2cnn(C)n2)c(OC)c1 ZINC000793277799 660921381 /nfs/dbraw/zinc/92/13/81/660921381.db2.gz UCEKRXOAXSRXSC-UHFFFAOYSA-N -1 0 356.360 -0.040 20 0 FBADRM COC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)c2cnn(C)n2)s1 ZINC000793279298 660921260 /nfs/dbraw/zinc/92/12/60/660921260.db2.gz JABFKTOGBHLZQP-UHFFFAOYSA-N -1 0 373.416 -0.106 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)Cc2ccccn2)C1=O ZINC000793312078 660921603 /nfs/dbraw/zinc/92/16/03/660921603.db2.gz KVMRPXPVZHFUFF-HNNXBMFYSA-N -1 0 366.399 -0.252 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)Cc2ccccn2)C1=O ZINC000793312080 660921577 /nfs/dbraw/zinc/92/15/77/660921577.db2.gz KVMRPXPVZHFUFF-OAHLLOKOSA-N -1 0 366.399 -0.252 20 0 FBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC000793313567 660921664 /nfs/dbraw/zinc/92/16/64/660921664.db2.gz HAUFWWJSLRFZOW-UHFFFAOYSA-N -1 0 366.399 -0.108 20 0 FBADRM O=C(Cn1nnc2ccccc2c1=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC000793314357 660921677 /nfs/dbraw/zinc/92/16/77/660921677.db2.gz RQPPXWFWHPJONX-UHFFFAOYSA-N -1 0 359.367 -0.167 20 0 FBADRM CC1(Cn2cc(C(=O)[N-]S(=O)(=O)Cc3ccccn3)nn2)COC1 ZINC000793314663 660921654 /nfs/dbraw/zinc/92/16/54/660921654.db2.gz XJOCBOVEDWHJOO-UHFFFAOYSA-N -1 0 351.388 -0.031 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC000793315174 660921593 /nfs/dbraw/zinc/92/15/93/660921593.db2.gz JTNJXBDHLNWGTC-GFCCVEGCSA-N -1 0 361.445 -0.158 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC000793315175 660921661 /nfs/dbraw/zinc/92/16/61/660921661.db2.gz JTNJXBDHLNWGTC-LBPRGKRZSA-N -1 0 361.445 -0.158 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)[N-]S(=O)(=O)Cc2ccccn2)c1 ZINC000793318541 660921571 /nfs/dbraw/zinc/92/15/71/660921571.db2.gz OQLRJYOUDYLCBR-UHFFFAOYSA-N -1 0 372.428 -0.080 20 0 FBADRM Cn1nncc1C(=O)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000793330264 660921646 /nfs/dbraw/zinc/92/16/46/660921646.db2.gz DTLOGPCTXIQYTL-UHFFFAOYSA-N -1 0 353.335 -0.042 20 0 FBADRM O=C(CN1CCOCC1)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000793332616 660921658 /nfs/dbraw/zinc/92/16/58/660921658.db2.gz QICIGSFSCCSGES-UHFFFAOYSA-N -1 0 371.390 -0.153 20 0 FBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000793337680 660921534 /nfs/dbraw/zinc/92/15/34/660921534.db2.gz FHGZXWPCNKBAHK-UHFFFAOYSA-N -1 0 357.363 -0.006 20 0 FBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000793338540 660921568 /nfs/dbraw/zinc/92/15/68/660921568.db2.gz IBZXYEFIJXWDGI-UHFFFAOYSA-N -1 0 359.335 -0.129 20 0 FBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)n1 ZINC000793339179 660921588 /nfs/dbraw/zinc/92/15/88/660921588.db2.gz JPRWKNKCXIPZLE-UHFFFAOYSA-N -1 0 353.335 -0.042 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)C1=O ZINC000793340173 660921607 /nfs/dbraw/zinc/92/16/07/660921607.db2.gz QTRXHZBZLRVSHH-SECBINFHSA-N -1 0 369.374 -0.006 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)C1=O ZINC000793340174 660921628 /nfs/dbraw/zinc/92/16/28/660921628.db2.gz QTRXHZBZLRVSHH-VIFPVBQESA-N -1 0 369.374 -0.006 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O)c(C)c1 ZINC000793343808 660921584 /nfs/dbraw/zinc/92/15/84/660921584.db2.gz XVMWTXVPSZJARA-UHFFFAOYSA-N -1 0 350.418 -0.300 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CN2CCCS2(=O)=O)c(C)c1 ZINC000793348045 660921569 /nfs/dbraw/zinc/92/15/69/660921569.db2.gz QUBSDZMMQWPZIU-UHFFFAOYSA-N -1 0 362.429 -0.156 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)c(C)c1 ZINC000793348374 660921566 /nfs/dbraw/zinc/92/15/66/660921566.db2.gz NRUKOJXBCORPRB-UHFFFAOYSA-N -1 0 367.383 -0.631 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)c(C)c1 ZINC000793354432 660921517 /nfs/dbraw/zinc/92/15/17/660921517.db2.gz YZFPRWNHBJUKKK-UHFFFAOYSA-N -1 0 367.383 -0.480 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)[nH]c2=O)c(C)c1 ZINC000793358403 660921668 /nfs/dbraw/zinc/92/16/68/660921668.db2.gz OYIHGHRWWRRVFW-UHFFFAOYSA-N -1 0 353.356 -0.078 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)c(C)c1 ZINC000793359095 660921679 /nfs/dbraw/zinc/92/16/79/660921679.db2.gz RDCDXHSPIOOZHV-UHFFFAOYSA-N -1 0 353.360 -0.801 20 0 FBADRM C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)[N-]OC1CCOCC1 ZINC000793844199 660923527 /nfs/dbraw/zinc/92/35/27/660923527.db2.gz PTEFPDUTVMMOLU-HNNXBMFYSA-N -1 0 355.391 -0.171 20 0 FBADRM C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)[N-]OC1CCOCC1 ZINC000793844201 660923704 /nfs/dbraw/zinc/92/37/04/660923704.db2.gz PTEFPDUTVMMOLU-OAHLLOKOSA-N -1 0 355.391 -0.171 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000793867119 660923836 /nfs/dbraw/zinc/92/38/36/660923836.db2.gz AOYVVUNPENBPKU-HNNXBMFYSA-N -1 0 361.464 -0.605 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000793867124 660923981 /nfs/dbraw/zinc/92/39/81/660923981.db2.gz AOYVVUNPENBPKU-OAHLLOKOSA-N -1 0 361.464 -0.605 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000793873039 660923925 /nfs/dbraw/zinc/92/39/25/660923925.db2.gz VNUNLWRNEBCAMS-AWEZNQCLSA-N -1 0 363.505 -0.279 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000793873049 660923945 /nfs/dbraw/zinc/92/39/45/660923945.db2.gz VNUNLWRNEBCAMS-CQSZACIVSA-N -1 0 363.505 -0.279 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC000793906011 660924673 /nfs/dbraw/zinc/92/46/73/660924673.db2.gz YKYATUNRISABLZ-SECBINFHSA-N -1 0 354.388 -0.192 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC000793906014 660924770 /nfs/dbraw/zinc/92/47/70/660924770.db2.gz YKYATUNRISABLZ-VIFPVBQESA-N -1 0 354.388 -0.192 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H]2CC(C(N)=O)=NO2)c1 ZINC000793906645 660924890 /nfs/dbraw/zinc/92/48/90/660924890.db2.gz MTUDRDZQLQHFSH-MRVPVSSYSA-N -1 0 370.387 -0.998 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)c1 ZINC000793906646 660924941 /nfs/dbraw/zinc/92/49/41/660924941.db2.gz MTUDRDZQLQHFSH-QMMMGPOBSA-N -1 0 370.387 -0.998 20 0 FBADRM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)[N-]OCCOC)cc1 ZINC000793936045 660925172 /nfs/dbraw/zinc/92/51/72/660925172.db2.gz ICOKTQQTOJJFOW-JTQLQIEISA-N -1 0 359.404 -0.534 20 0 FBADRM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)[N-]OCCOC)cc1 ZINC000793936046 660925228 /nfs/dbraw/zinc/92/52/28/660925228.db2.gz ICOKTQQTOJJFOW-SNVBAGLBSA-N -1 0 359.404 -0.534 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)N[C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000793937344 660925139 /nfs/dbraw/zinc/92/51/39/660925139.db2.gz PHKPFBBGXGQNCD-LLVKDONJSA-N -1 0 373.431 -0.144 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000793937345 660925189 /nfs/dbraw/zinc/92/51/89/660925189.db2.gz PHKPFBBGXGQNCD-NSHDSACASA-N -1 0 373.431 -0.144 20 0 FBADRM CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N(CCO)CCC(=O)[O-] ZINC000793984469 660925856 /nfs/dbraw/zinc/92/58/56/660925856.db2.gz WLZNKBGYRXHZTP-CYBMUJFWSA-N -1 0 350.437 -0.124 20 0 FBADRM CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N(CCO)CCC(=O)[O-] ZINC000793984470 660925872 /nfs/dbraw/zinc/92/58/72/660925872.db2.gz WLZNKBGYRXHZTP-ZDUSSCGKSA-N -1 0 350.437 -0.124 20 0 FBADRM CSCCO[N-]C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000794194339 660929222 /nfs/dbraw/zinc/92/92/22/660929222.db2.gz ABZHILIJEPVVKC-UHFFFAOYSA-N -1 0 361.401 -0.347 20 0 FBADRM CSCCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000794194381 660929210 /nfs/dbraw/zinc/92/92/10/660929210.db2.gz AYJPEWKJCDJVGD-SECBINFHSA-N -1 0 361.445 -0.137 20 0 FBADRM CSCCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000794194382 660929251 /nfs/dbraw/zinc/92/92/51/660929251.db2.gz AYJPEWKJCDJVGD-VIFPVBQESA-N -1 0 361.445 -0.137 20 0 FBADRM CCN=c1nc2[n-]nc(SCC(=O)NCCOC)n2c(NCC)n1 ZINC000794573125 660934228 /nfs/dbraw/zinc/93/42/28/660934228.db2.gz SERUTLMWTYTASY-UHFFFAOYSA-N -1 0 354.440 -0.341 20 0 FBADRM CCN=c1nc(NCC)nc2[n-]nc(SCC(=O)N3CCOCC3)n21 ZINC000794612860 660934850 /nfs/dbraw/zinc/93/48/50/660934850.db2.gz TTYOSGORXNKYMB-UHFFFAOYSA-N -1 0 366.451 -0.244 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])ccc1C ZINC000794757004 660935537 /nfs/dbraw/zinc/93/55/37/660935537.db2.gz IRSQZTRWKTUVLC-UHFFFAOYSA-N -1 0 358.372 -0.349 20 0 FBADRM CCOC(=O)Cc1cccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000794757010 660935572 /nfs/dbraw/zinc/93/55/72/660935572.db2.gz IWNCWNQIVRUTKJ-UHFFFAOYSA-N -1 0 358.372 -0.729 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c(F)cc1Cl ZINC000794757490 660935389 /nfs/dbraw/zinc/93/53/89/660935389.db2.gz OQPZZIRZYNUDTN-MRVPVSSYSA-N -1 0 355.727 -0.011 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c(F)cc1Cl ZINC000794757491 660935511 /nfs/dbraw/zinc/93/55/11/660935511.db2.gz OQPZZIRZYNUDTN-QMMMGPOBSA-N -1 0 355.727 -0.011 20 0 FBADRM CCOC(=O)c1ccc(OC)c(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000794758039 660935517 /nfs/dbraw/zinc/93/55/17/660935517.db2.gz VJRCXSPZVLLTNM-UHFFFAOYSA-N -1 0 374.371 -0.649 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000794759700 660935503 /nfs/dbraw/zinc/93/55/03/660935503.db2.gz GDQPSXJMOWTKKK-SLEUVZQESA-N -1 0 360.432 -0.250 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000794759703 660935561 /nfs/dbraw/zinc/93/55/61/660935561.db2.gz GDQPSXJMOWTKKK-YWPYICTPSA-N -1 0 360.432 -0.250 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c1 ZINC000794760671 660935383 /nfs/dbraw/zinc/93/53/83/660935383.db2.gz VWXMWALGMUMNHF-ZUZCIYMTSA-N -1 0 371.415 -0.172 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)s1 ZINC000794762484 660935718 /nfs/dbraw/zinc/93/57/18/660935718.db2.gz HLMVPGUQBKZTMU-LKFCYVNXSA-N -1 0 374.440 -0.112 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c(F)cc1Cl ZINC000794763151 660935853 /nfs/dbraw/zinc/93/58/53/660935853.db2.gz WYLWUJZFTANDRK-QMMMGPOBSA-N -1 0 355.727 -0.011 20 0 FBADRM CC(C)(C)OC[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000794763975 660935767 /nfs/dbraw/zinc/93/57/67/660935767.db2.gz OXQNZFRYCLXWEB-NSHDSACASA-N -1 0 366.436 -0.072 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cc1 ZINC000794764820 660935685 /nfs/dbraw/zinc/93/56/85/660935685.db2.gz YDMYZKIJSPFZOU-BLLLJJGKSA-N -1 0 368.411 -0.174 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCC(F)(F)[C@@H](C(=O)[O-])C2)cn1 ZINC000794769748 660935905 /nfs/dbraw/zinc/93/59/05/660935905.db2.gz RISYVEDJSKEKSZ-SECBINFHSA-N -1 0 367.330 -0.213 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCC(F)(F)[C@H](C(=O)[O-])C2)cn1 ZINC000794769749 660935842 /nfs/dbraw/zinc/93/58/42/660935842.db2.gz RISYVEDJSKEKSZ-VIFPVBQESA-N -1 0 367.330 -0.213 20 0 FBADRM CN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000794829960 660935713 /nfs/dbraw/zinc/93/57/13/660935713.db2.gz NUYWZTBEVRDQET-SECBINFHSA-N -1 0 365.433 -0.243 20 0 FBADRM CN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000794829964 660935840 /nfs/dbraw/zinc/93/58/40/660935840.db2.gz NUYWZTBEVRDQET-VIFPVBQESA-N -1 0 365.433 -0.243 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000794838495 660935680 /nfs/dbraw/zinc/93/56/80/660935680.db2.gz KTVPGSZWHHBFMJ-SECBINFHSA-N -1 0 365.433 -0.195 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000794838500 660935885 /nfs/dbraw/zinc/93/58/85/660935885.db2.gz KTVPGSZWHHBFMJ-VIFPVBQESA-N -1 0 365.433 -0.195 20 0 FBADRM CC(C)OCCO[N-]C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000795068886 660936821 /nfs/dbraw/zinc/93/68/21/660936821.db2.gz JSUUOQADQJUETF-UHFFFAOYSA-N -1 0 373.387 -0.285 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]N2CCCNC2=O)cc1C ZINC000795174945 660938539 /nfs/dbraw/zinc/93/85/39/660938539.db2.gz LQEAHGWTAOHSMY-UHFFFAOYSA-N -1 0 362.433 -0.488 20 0 FBADRM COCn1nccc1S(=O)(=O)[N-]N1C(=O)NC2(CCCCC2)C1=O ZINC000795181990 660938802 /nfs/dbraw/zinc/93/88/02/660938802.db2.gz SIBDXMQQBANGPK-UHFFFAOYSA-N -1 0 357.392 -0.065 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]N1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000795185405 660938669 /nfs/dbraw/zinc/93/86/69/660938669.db2.gz FLUGYHCKMWQYPA-CYBMUJFWSA-N -1 0 350.360 -0.524 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]N1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000795185406 660938769 /nfs/dbraw/zinc/93/87/69/660938769.db2.gz FLUGYHCKMWQYPA-ZDUSSCGKSA-N -1 0 350.360 -0.524 20 0 FBADRM CC[C@@]1(c2ccccc2)NC(=O)N([N-]S(=O)(=O)c2cnnn2C)C1=O ZINC000795185740 660938752 /nfs/dbraw/zinc/93/87/52/660938752.db2.gz IGLSQOKKZSWKIZ-AWEZNQCLSA-N -1 0 364.387 -0.134 20 0 FBADRM CC[C@]1(c2ccccc2)NC(=O)N([N-]S(=O)(=O)c2cnnn2C)C1=O ZINC000795185741 660938836 /nfs/dbraw/zinc/93/88/36/660938836.db2.gz IGLSQOKKZSWKIZ-CQSZACIVSA-N -1 0 364.387 -0.134 20 0 FBADRM O=C(Cn1ccc([N-]S(=O)(=O)C[C@@H]2CCCOC2)n1)N1CCOCC1 ZINC000795329052 660939373 /nfs/dbraw/zinc/93/93/73/660939373.db2.gz ONQIGVKGCJLZIH-CYBMUJFWSA-N -1 0 372.447 -0.090 20 0 FBADRM O=C(Cn1ccc([N-]S(=O)(=O)C[C@H]2CCCOC2)n1)N1CCOCC1 ZINC000795329053 660939306 /nfs/dbraw/zinc/93/93/06/660939306.db2.gz ONQIGVKGCJLZIH-ZDUSSCGKSA-N -1 0 372.447 -0.090 20 0 FBADRM CS(=O)(=O)c1ccc(F)c(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)c1 ZINC000795344812 660939485 /nfs/dbraw/zinc/93/94/85/660939485.db2.gz KENBQUQUJAMDTE-UHFFFAOYSA-N -1 0 362.364 -0.148 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)ccc1F ZINC000795345936 660939293 /nfs/dbraw/zinc/93/92/93/660939293.db2.gz RVEYWBKKUYKGNS-UHFFFAOYSA-N -1 0 362.364 -0.148 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)NCC(=O)OCc2n[nH]c(=O)[n-]2)c1 ZINC000795386775 660939602 /nfs/dbraw/zinc/93/96/02/660939602.db2.gz TWVVRFUPEKPSOW-UHFFFAOYSA-N -1 0 354.344 -0.265 20 0 FBADRM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c1 ZINC000795920566 660943454 /nfs/dbraw/zinc/94/34/54/660943454.db2.gz VBZAPQCKLOPYNO-UHFFFAOYSA-N -1 0 355.372 -0.121 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)[N-]N2CCCNC2=O)c1 ZINC000795942796 660943418 /nfs/dbraw/zinc/94/34/18/660943418.db2.gz CQABKLVVVGUYEU-UHFFFAOYSA-N -1 0 356.404 -0.329 20 0 FBADRM O=C(CCc1cnccn1)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000796610532 660946779 /nfs/dbraw/zinc/94/67/79/660946779.db2.gz BXFSLQLZIHWZBU-UHFFFAOYSA-N -1 0 359.371 -0.110 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CCc2cnccn2)CC1 ZINC000796661176 660946745 /nfs/dbraw/zinc/94/67/45/660946745.db2.gz ZNQTWZQTXGJRCD-UHFFFAOYSA-N -1 0 356.404 -0.345 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCc1cnccn1 ZINC000796693096 660946695 /nfs/dbraw/zinc/94/66/95/660946695.db2.gz ZIKWCLAASWFYOS-GFCCVEGCSA-N -1 0 356.404 -0.202 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCc1cnccn1 ZINC000796693098 660946782 /nfs/dbraw/zinc/94/67/82/660946782.db2.gz ZIKWCLAASWFYOS-LBPRGKRZSA-N -1 0 356.404 -0.202 20 0 FBADRM O=C(CCn1cnccc1=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000796693366 660946784 /nfs/dbraw/zinc/94/67/84/660946784.db2.gz QHNGVSDUUXOCBR-UHFFFAOYSA-N -1 0 365.367 -0.090 20 0 FBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)[nH]1 ZINC000796695176 660946704 /nfs/dbraw/zinc/94/67/04/660946704.db2.gz AFEKUIXNNAOAKI-UHFFFAOYSA-N -1 0 354.344 -0.643 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)nnn1C(C)C ZINC000796695212 660946756 /nfs/dbraw/zinc/94/67/56/660946756.db2.gz BDXLJKFVBNSIIF-UHFFFAOYSA-N -1 0 354.392 -0.276 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cnn3c2OCCC3)cc1C(N)=O ZINC000796696935 660946617 /nfs/dbraw/zinc/94/66/17/660946617.db2.gz LYJVDGXYVJNIDA-UHFFFAOYSA-N -1 0 353.360 -0.778 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000796697064 660946573 /nfs/dbraw/zinc/94/65/73/660946573.db2.gz NCQGDLXMVBRQFF-UHFFFAOYSA-N -1 0 357.388 -0.028 20 0 FBADRM CC(C)n1cc(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)nn1 ZINC000796697827 660946767 /nfs/dbraw/zinc/94/67/67/660946767.db2.gz CTFXZZSZSAUSTN-UHFFFAOYSA-N -1 0 362.375 -0.047 20 0 FBADRM Cn1ccc(CCC(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)n1 ZINC000796698768 660946728 /nfs/dbraw/zinc/94/67/28/660946728.db2.gz JIXFZUFCOODNCY-UHFFFAOYSA-N -1 0 361.387 -0.167 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000796698803 660946742 /nfs/dbraw/zinc/94/67/42/660946742.db2.gz JQRABXDLGLWLDQ-UHFFFAOYSA-N -1 0 364.445 -0.428 20 0 FBADRM O=C(CCc1cncnc1)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000796700415 660946639 /nfs/dbraw/zinc/94/66/39/660946639.db2.gz RTULVGUELUKMES-UHFFFAOYSA-N -1 0 359.371 -0.110 20 0 FBADRM Cc1c(CC(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cnn1C ZINC000796700680 660946671 /nfs/dbraw/zinc/94/66/71/660946671.db2.gz TUSMLVSHFPSVTA-UHFFFAOYSA-N -1 0 361.387 -0.248 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000796712210 660946624 /nfs/dbraw/zinc/94/66/24/660946624.db2.gz MUYXIEPXPJJMIQ-UHFFFAOYSA-N -1 0 354.388 -0.305 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000796729723 660946996 /nfs/dbraw/zinc/94/69/96/660946996.db2.gz DDNXDCGXQRAXMD-UHFFFAOYSA-N -1 0 363.461 -0.208 20 0 FBADRM COCCOC1CCC(C(=O)[N-]S(=O)(=O)N2CCOCC2)CC1 ZINC000796732211 660947065 /nfs/dbraw/zinc/94/70/65/660947065.db2.gz MFNMZKAJYNIWSL-UHFFFAOYSA-N -1 0 350.437 -0.099 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)C1CCC(NC(=O)C2CC2)CC1 ZINC000796734526 660947048 /nfs/dbraw/zinc/94/70/48/660947048.db2.gz VIVWCAPTYQVXEX-UHFFFAOYSA-N -1 0 359.448 -0.235 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2occ3c2CCOC3)cc1C(N)=O ZINC000796735551 660947038 /nfs/dbraw/zinc/94/70/38/660947038.db2.gz CWRAJYZWLUUNCH-UHFFFAOYSA-N -1 0 353.356 -0.092 20 0 FBADRM O=C(COC(F)F)[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O ZINC000796735719 660946959 /nfs/dbraw/zinc/94/69/59/660946959.db2.gz DROFYKLCYVUIIZ-UHFFFAOYSA-N -1 0 362.310 -0.032 20 0 FBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000796735722 660947043 /nfs/dbraw/zinc/94/70/43/660947043.db2.gz DWJAGGJIJXRTBO-UFBFGSQYSA-N -1 0 358.420 -0.520 20 0 FBADRM O=C(CC1OCCO1)[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O ZINC000796737185 660947086 /nfs/dbraw/zinc/94/70/86/660947086.db2.gz RMQXRBIUNGKEED-UHFFFAOYSA-N -1 0 368.367 -0.508 20 0 FBADRM COCc1ncc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)s1 ZINC000796737742 660946986 /nfs/dbraw/zinc/94/69/86/660946986.db2.gz YGBZFFWFTPHMLR-UHFFFAOYSA-N -1 0 358.401 -0.154 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2CC(F)(F)F)cn1 ZINC000796747739 660946877 /nfs/dbraw/zinc/94/68/77/660946877.db2.gz JZKZCNBYPMCRDA-SECBINFHSA-N -1 0 356.326 -0.512 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2CC(F)(F)F)cn1 ZINC000796747748 660946984 /nfs/dbraw/zinc/94/69/84/660946984.db2.gz JZKZCNBYPMCRDA-VIFPVBQESA-N -1 0 356.326 -0.512 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)nnn1Cc1ccncc1 ZINC000796748339 660946909 /nfs/dbraw/zinc/94/69/09/660946909.db2.gz KTYFZDMAQTYLGI-UHFFFAOYSA-N -1 0 361.387 -0.118 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)CCc1ccccc1C(N)=O ZINC000796774152 660946970 /nfs/dbraw/zinc/94/69/70/660946970.db2.gz GUGYJZWICKBOHF-UHFFFAOYSA-N -1 0 358.416 -0.173 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000796774878 660946941 /nfs/dbraw/zinc/94/69/41/660946941.db2.gz KLSGWYDGNVUARL-UHFFFAOYSA-N -1 0 367.391 -0.999 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000796774934 660946858 /nfs/dbraw/zinc/94/68/58/660946858.db2.gz MQSHSKLFDZOIIT-UHFFFAOYSA-N -1 0 363.417 -0.786 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCn2cnccc2=O)s1 ZINC000796775336 660947092 /nfs/dbraw/zinc/94/70/92/660947092.db2.gz OTYRHORBFROYHX-UHFFFAOYSA-N -1 0 371.396 -0.013 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000796776840 660946901 /nfs/dbraw/zinc/94/69/01/660946901.db2.gz YGQJLYIOWKAUJZ-JTQLQIEISA-N -1 0 362.370 -0.020 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000796776851 660946993 /nfs/dbraw/zinc/94/69/93/660946993.db2.gz YGQJLYIOWKAUJZ-SNVBAGLBSA-N -1 0 362.370 -0.020 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)Cc2cnn(C)c2C)CC1 ZINC000796783366 660946945 /nfs/dbraw/zinc/94/69/45/660946945.db2.gz IYWILUHWJSUTAQ-UHFFFAOYSA-N -1 0 358.420 -0.483 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CCc2ccn(C)n2)CC1 ZINC000796785358 660947008 /nfs/dbraw/zinc/94/70/08/660947008.db2.gz QZDGSSYTQQBAOA-UHFFFAOYSA-N -1 0 358.420 -0.401 20 0 FBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)OC)CC2)[nH]1 ZINC000796786279 660947018 /nfs/dbraw/zinc/94/70/18/660947018.db2.gz TWAWOYDNYIHRLN-UHFFFAOYSA-N -1 0 373.387 -0.339 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cn(C(C)C)nn2)CC1 ZINC000796786281 660946931 /nfs/dbraw/zinc/94/69/31/660946931.db2.gz TWCBSNAUWVYVFZ-UHFFFAOYSA-N -1 0 359.408 -0.281 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cnn3c2OCCC3)CC1 ZINC000796786325 660946979 /nfs/dbraw/zinc/94/69/79/660946979.db2.gz VFBCXGRYBAJTHO-UHFFFAOYSA-N -1 0 372.403 -0.475 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CCc2cncnc2)CC1 ZINC000796787244 660946915 /nfs/dbraw/zinc/94/69/15/660946915.db2.gz XOSVKDDEJLPJBK-UHFFFAOYSA-N -1 0 356.404 -0.345 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000796801973 660946867 /nfs/dbraw/zinc/94/68/67/660946867.db2.gz KGAPNVVKDBNCEC-UHFFFAOYSA-N -1 0 365.209 -0.032 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)OC)cc1 ZINC000796802995 660947056 /nfs/dbraw/zinc/94/70/56/660947056.db2.gz PGJCASYJICGEHF-UHFFFAOYSA-N -1 0 357.388 -0.262 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000796803654 660946952 /nfs/dbraw/zinc/94/69/52/660946952.db2.gz VYXJLOPECTURDO-UHFFFAOYSA-N -1 0 351.388 -0.004 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCn2cnccc2=O)c1 ZINC000796804097 660946887 /nfs/dbraw/zinc/94/68/87/660946887.db2.gz YFABATUYLCJOGM-UHFFFAOYSA-N -1 0 365.367 -0.075 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)CC2OCCO2)c1 ZINC000796819894 660947026 /nfs/dbraw/zinc/94/70/26/660947026.db2.gz VMAUOPJYXJVSPT-UHFFFAOYSA-N -1 0 353.360 -0.555 20 0 FBADRM CN(CCC(=O)[N-]S(=O)(=O)CC(N)=O)C(=O)OCc1ccccc1 ZINC000796827347 660947339 /nfs/dbraw/zinc/94/73/39/660947339.db2.gz JTNKZJJYSAMWRQ-UHFFFAOYSA-N -1 0 357.388 -0.424 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CCN1C(=O)OC(C)(C)C ZINC000796829979 660947324 /nfs/dbraw/zinc/94/73/24/660947324.db2.gz SWFKBOCNKSGEOR-UWVGGRQHSA-N -1 0 363.436 -0.047 20 0 FBADRM CC(C)(C)OC(=O)Nc1ccc(CC(=O)[N-]S(=O)(=O)CC(N)=O)nc1 ZINC000796830721 660947334 /nfs/dbraw/zinc/94/73/34/660947334.db2.gz ZOWKVBDSKPABDM-UHFFFAOYSA-N -1 0 372.403 -0.098 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCc1cncnc1 ZINC000796846529 660947212 /nfs/dbraw/zinc/94/72/12/660947212.db2.gz DJVJRQJCAVCCBZ-GFCCVEGCSA-N -1 0 356.404 -0.202 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCc1cncnc1 ZINC000796846532 660947322 /nfs/dbraw/zinc/94/73/22/660947322.db2.gz DJVJRQJCAVCCBZ-LBPRGKRZSA-N -1 0 356.404 -0.202 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cn(C(C)C)nn1 ZINC000796846924 660947301 /nfs/dbraw/zinc/94/73/01/660947301.db2.gz GFBDUZOXXAMVAA-LLVKDONJSA-N -1 0 359.408 -0.139 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cn(C(C)C)nn1 ZINC000796846925 660947232 /nfs/dbraw/zinc/94/72/32/660947232.db2.gz GFBDUZOXXAMVAA-NSHDSACASA-N -1 0 359.408 -0.139 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)Cc1cnn(C)c1C ZINC000796847512 660947296 /nfs/dbraw/zinc/94/72/96/660947296.db2.gz LKWZWXJMPDFOMR-GFCCVEGCSA-N -1 0 358.420 -0.340 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)Cc1cnn(C)c1C ZINC000796847514 660947337 /nfs/dbraw/zinc/94/73/37/660947337.db2.gz LKWZWXJMPDFOMR-LBPRGKRZSA-N -1 0 358.420 -0.340 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCc1ccn(C)n1 ZINC000796848219 660947329 /nfs/dbraw/zinc/94/73/29/660947329.db2.gz PHYPRQZNGQSSKU-GFCCVEGCSA-N -1 0 358.420 -0.259 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCc1ccn(C)n1 ZINC000796848876 660947294 /nfs/dbraw/zinc/94/72/94/660947294.db2.gz PHYPRQZNGQSSKU-LBPRGKRZSA-N -1 0 358.420 -0.259 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCn1cnccc1=O ZINC000796848933 660947261 /nfs/dbraw/zinc/94/72/61/660947261.db2.gz SBGBSGDJGDAJMN-LLVKDONJSA-N -1 0 372.403 -0.978 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCn1cnccc1=O ZINC000796848934 660947286 /nfs/dbraw/zinc/94/72/86/660947286.db2.gz SBGBSGDJGDAJMN-NSHDSACASA-N -1 0 372.403 -0.978 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cnn2c1OCCC2 ZINC000796849587 660947268 /nfs/dbraw/zinc/94/72/68/660947268.db2.gz VIJXFVOHCZAHGL-LLVKDONJSA-N -1 0 372.403 -0.332 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cnn2c1OCCC2 ZINC000796849589 660947203 /nfs/dbraw/zinc/94/72/03/660947203.db2.gz VIJXFVOHCZAHGL-NSHDSACASA-N -1 0 372.403 -0.332 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)[nH]1 ZINC000796850012 660947316 /nfs/dbraw/zinc/94/73/16/660947316.db2.gz WYIXHXLUYNDODM-LLVKDONJSA-N -1 0 373.387 -0.197 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)[nH]1 ZINC000796850018 660947312 /nfs/dbraw/zinc/94/73/12/660947312.db2.gz WYIXHXLUYNDODM-NSHDSACASA-N -1 0 373.387 -0.197 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc[nH]n2)C1 ZINC000796870133 660947216 /nfs/dbraw/zinc/94/72/16/660947216.db2.gz BHDBZQQBILDCMO-SECBINFHSA-N -1 0 350.422 -0.724 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc[nH]n2)C1 ZINC000796870135 660947308 /nfs/dbraw/zinc/94/73/08/660947308.db2.gz BHDBZQQBILDCMO-VIFPVBQESA-N -1 0 350.422 -0.724 20 0 FBADRM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796870199 660947305 /nfs/dbraw/zinc/94/73/05/660947305.db2.gz CAVNQYVSRKRRKT-AOOOYVTPSA-N -1 0 354.388 -0.220 20 0 FBADRM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796870202 660947200 /nfs/dbraw/zinc/94/72/00/660947200.db2.gz CAVNQYVSRKRRKT-NXEZZACHSA-N -1 0 354.388 -0.220 20 0 FBADRM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796870205 660947190 /nfs/dbraw/zinc/94/71/90/660947190.db2.gz CAVNQYVSRKRRKT-UWVGGRQHSA-N -1 0 354.388 -0.220 20 0 FBADRM CON(C)S(=O)(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)c1 ZINC000796870289 660947299 /nfs/dbraw/zinc/94/72/99/660947299.db2.gz DDGGXTZAXCSCQU-UHFFFAOYSA-N -1 0 374.400 -0.290 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)n(C)c1 ZINC000796870781 660947454 /nfs/dbraw/zinc/94/74/54/660947454.db2.gz XBCGWQOVKPYGCT-UHFFFAOYSA-N -1 0 361.405 -0.883 20 0 FBADRM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796871076 660947543 /nfs/dbraw/zinc/94/75/43/660947543.db2.gz ASVVPSOIFRMFJK-AUTRQRHGSA-N -1 0 373.460 -0.060 20 0 FBADRM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796871785 660947521 /nfs/dbraw/zinc/94/75/21/660947521.db2.gz BWFFQGDODSYNTK-UHFFFAOYSA-N -1 0 364.430 -0.160 20 0 FBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)nn1-c1ccccc1 ZINC000796872998 660947557 /nfs/dbraw/zinc/94/75/57/660947557.db2.gz PSUDIDPVAKGPDA-UHFFFAOYSA-N -1 0 360.355 -0.187 20 0 FBADRM O=C(CCN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796873070 660947426 /nfs/dbraw/zinc/94/74/26/660947426.db2.gz QJFVCLIFWRGYDZ-UHFFFAOYSA-N -1 0 355.376 -0.531 20 0 FBADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000796874468 660947456 /nfs/dbraw/zinc/94/74/56/660947456.db2.gz WUPKFHAGVKLHLZ-UHFFFAOYSA-N -1 0 374.400 -0.094 20 0 FBADRM CC(=O)NC[C@@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)N3CCCC3)c2C1 ZINC000796874703 660947539 /nfs/dbraw/zinc/94/75/39/660947539.db2.gz WNXPRDHEZSCBPP-GFCCVEGCSA-N -1 0 369.447 -0.348 20 0 FBADRM CC(=O)NC[C@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)N3CCCC3)c2C1 ZINC000796874705 660947478 /nfs/dbraw/zinc/94/74/78/660947478.db2.gz WNXPRDHEZSCBPP-LBPRGKRZSA-N -1 0 369.447 -0.348 20 0 FBADRM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796874819 660947476 /nfs/dbraw/zinc/94/74/76/660947476.db2.gz MDZWBQPISYQSDG-UHFFFAOYSA-N -1 0 362.389 -0.320 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1c(I)cnn1C ZINC000796874937 660947587 /nfs/dbraw/zinc/94/75/87/660947587.db2.gz MLNFCVINNLGCNM-UHFFFAOYSA-N -1 0 373.172 -0.269 20 0 FBADRM O=C(CNC(=O)c1ccc2c(c1)OCO2)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796875090 660947502 /nfs/dbraw/zinc/94/75/02/660947502.db2.gz CRZXRQLGUUVPFC-UHFFFAOYSA-N -1 0 352.328 -0.627 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cnn3c2OCCC3)s1 ZINC000796875231 660947504 /nfs/dbraw/zinc/94/75/04/660947504.db2.gz PXUYWBBMNYEUSO-UHFFFAOYSA-N -1 0 356.385 -0.055 20 0 FBADRM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)[N-]S(=O)(=O)c1cc[nH]n1)C2=O ZINC000796875566 660947511 /nfs/dbraw/zinc/94/75/11/660947511.db2.gz PIWFDZSAKDHMFO-LKFCYVNXSA-N -1 0 369.403 -0.285 20 0 FBADRM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)[N-]S(=O)(=O)c1cc[nH]n1)C2=O ZINC000796875570 660947536 /nfs/dbraw/zinc/94/75/36/660947536.db2.gz PIWFDZSAKDHMFO-OTYXRUKQSA-N -1 0 369.403 -0.285 20 0 FBADRM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)[N-]S(=O)(=O)c1cc[nH]n1)C2=O ZINC000796875572 660947525 /nfs/dbraw/zinc/94/75/25/660947525.db2.gz PIWFDZSAKDHMFO-XPTSAGLGSA-N -1 0 369.403 -0.285 20 0 FBADRM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)[N-]S(=O)(=O)c1cc[nH]n1)C2=O ZINC000796875574 660947584 /nfs/dbraw/zinc/94/75/84/660947584.db2.gz PIWFDZSAKDHMFO-YMTOWFKASA-N -1 0 369.403 -0.285 20 0 FBADRM Cc1cc(NC(=O)CSCC(=O)[N-]S(=O)(=O)c2cc[nH]n2)no1 ZINC000796875682 660947472 /nfs/dbraw/zinc/94/74/72/660947472.db2.gz HAGJUEIBESOBAJ-UHFFFAOYSA-N -1 0 359.389 -0.117 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)c1cc[nH]n1)N1C(=O)NC2(CCCC2)C1=O ZINC000796876070 660947523 /nfs/dbraw/zinc/94/75/23/660947523.db2.gz JGCUSBRLXPLMHV-MRVPVSSYSA-N -1 0 355.376 -0.532 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cc[nH]n1)N1C(=O)NC2(CCCC2)C1=O ZINC000796876071 660947563 /nfs/dbraw/zinc/94/75/63/660947563.db2.gz JGCUSBRLXPLMHV-QMMMGPOBSA-N -1 0 355.376 -0.532 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000796876123 660947533 /nfs/dbraw/zinc/94/75/33/660947533.db2.gz VAHGURSFNJAGNW-UHFFFAOYSA-N -1 0 365.209 -0.032 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)cn1 ZINC000796876745 660947573 /nfs/dbraw/zinc/94/75/73/660947573.db2.gz YDONLTWIDRHLKU-UHFFFAOYSA-N -1 0 359.389 -0.826 20 0 FBADRM CON(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)cc1 ZINC000796876954 660947579 /nfs/dbraw/zinc/94/75/79/660947579.db2.gz CRNHKCBHHIQBAG-UHFFFAOYSA-N -1 0 374.400 -0.290 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796878239 660947495 /nfs/dbraw/zinc/94/74/95/660947495.db2.gz NPDPWCUYPHCCFB-JTQLQIEISA-N -1 0 364.449 -0.191 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796878265 660947490 /nfs/dbraw/zinc/94/74/90/660947490.db2.gz NPDPWCUYPHCCFB-SNVBAGLBSA-N -1 0 364.449 -0.191 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2ccoc2CC(N)=O)CC1 ZINC000796879341 660947564 /nfs/dbraw/zinc/94/75/64/660947564.db2.gz ORIBJPNALMTDEX-UHFFFAOYSA-N -1 0 373.387 -0.833 20 0 FBADRM COCCS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)cc1 ZINC000796879712 660947793 /nfs/dbraw/zinc/94/77/93/660947793.db2.gz XPLXUOPTEPFEIA-UHFFFAOYSA-N -1 0 373.412 -0.052 20 0 FBADRM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796880905 660947779 /nfs/dbraw/zinc/94/77/79/660947779.db2.gz ASVVPSOIFRMFJK-HOTUBEGUSA-N -1 0 373.460 -0.060 20 0 FBADRM O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796880906 660947817 /nfs/dbraw/zinc/94/78/17/660947817.db2.gz ASVVPSOIFRMFJK-PTRXPTGYSA-N -1 0 373.460 -0.060 20 0 FBADRM O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796880907 660947767 /nfs/dbraw/zinc/94/77/67/660947767.db2.gz ASVVPSOIFRMFJK-VDDIYKPWSA-N -1 0 373.460 -0.060 20 0 FBADRM CN(C)C(=O)COc1ccccc1C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796881483 660947781 /nfs/dbraw/zinc/94/77/81/660947781.db2.gz FTBITMAHOHFZPS-UHFFFAOYSA-N -1 0 352.372 -0.005 20 0 FBADRM O=C(COCCNC(=O)c1ccccc1)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796881949 660947805 /nfs/dbraw/zinc/94/78/05/660947805.db2.gz JFJSTMDOLGPSGB-UHFFFAOYSA-N -1 0 352.372 -0.339 20 0 FBADRM CS(=O)(=O)c1nc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)c2ccccn21 ZINC000796882418 660947764 /nfs/dbraw/zinc/94/77/64/660947764.db2.gz LOXLHFUAEDLNRL-UHFFFAOYSA-N -1 0 369.384 -0.420 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)cc1 ZINC000796882430 660947754 /nfs/dbraw/zinc/94/77/54/660947754.db2.gz GYAILYLXIWIIQV-UHFFFAOYSA-N -1 0 358.401 -0.221 20 0 FBADRM CC(C)(C)OC(=O)N1CC(OCC(=O)[N-]S(=O)(=O)c2cc[nH]n2)C1 ZINC000796882509 660947790 /nfs/dbraw/zinc/94/77/90/660947790.db2.gz DNHSFEFTWCLVPF-UHFFFAOYSA-N -1 0 360.392 -0.150 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)c1 ZINC000796882516 660947749 /nfs/dbraw/zinc/94/77/49/660947749.db2.gz DTGRDGWKLNDGFF-UHFFFAOYSA-N -1 0 358.401 -0.221 20 0 FBADRM CN1C(=O)N(CC(=O)[N-]S(=O)(=O)c2cc[nH]n2)C(=O)C12CCCCC2 ZINC000796882864 660947755 /nfs/dbraw/zinc/94/77/55/660947755.db2.gz KGLUBJDWZBQVRK-UHFFFAOYSA-N -1 0 369.403 -0.189 20 0 FBADRM Cc1oc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)cc1S(=O)(=O)N(C)C ZINC000796883510 660947785 /nfs/dbraw/zinc/94/77/85/660947785.db2.gz TWSVTGLJNPANNL-UHFFFAOYSA-N -1 0 362.389 -0.320 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(CC(=O)[N-]S(=O)(=O)c1cc[nH]n1)C2=O ZINC000796883963 660947760 /nfs/dbraw/zinc/94/77/60/660947760.db2.gz XCJBZKOQPWANKY-UHFFFAOYSA-N -1 0 369.403 -0.285 20 0 FBADRM O=C(CSc1nnnn1CC(F)(F)F)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796884073 660947742 /nfs/dbraw/zinc/94/77/42/660947742.db2.gz ZHKGPMSQRLHNNB-UHFFFAOYSA-N -1 0 371.326 -0.444 20 0 FBADRM O=C(Cn1cc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)cn1)NC1CCCC1 ZINC000796885251 660947752 /nfs/dbraw/zinc/94/77/52/660947752.db2.gz YRCHWPSMHBCPIW-UHFFFAOYSA-N -1 0 366.403 -0.216 20 0 FBADRM O=C(CN1C(=O)c2ccccc2S1(=O)=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796888355 660947837 /nfs/dbraw/zinc/94/78/37/660947837.db2.gz CQTYHLDVZICUEZ-UHFFFAOYSA-N -1 0 370.368 -0.941 20 0 FBADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796889048 660947798 /nfs/dbraw/zinc/94/77/98/660947798.db2.gz FBPBZGWQJDRXBB-UHFFFAOYSA-N -1 0 355.376 -0.531 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000796889392 660947740 /nfs/dbraw/zinc/94/77/40/660947740.db2.gz CPOUKZSGAXAYHH-UHFFFAOYSA-N -1 0 363.417 -0.786 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000796902470 660947808 /nfs/dbraw/zinc/94/78/08/660947808.db2.gz BLEITRHGIOJBLS-UHFFFAOYSA-N -1 0 354.388 -0.904 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000796903024 660947801 /nfs/dbraw/zinc/94/78/01/660947801.db2.gz GZNPGNIHLLKNHJ-UHFFFAOYSA-N -1 0 356.404 -0.488 20 0 FBADRM Cc1cc(Cn2nnc(C(=O)[N-]S(=O)(=O)N3CCOCC3)c2C)on1 ZINC000796920969 660947834 /nfs/dbraw/zinc/94/78/34/660947834.db2.gz FFQLSLLBQQBTTH-UHFFFAOYSA-N -1 0 370.391 -0.762 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1c(I)cnn1C ZINC000796924756 660947762 /nfs/dbraw/zinc/94/77/62/660947762.db2.gz ZWSLQNGLERURLP-UHFFFAOYSA-N -1 0 372.188 -0.049 20 0 FBADRM O=C(CC1OCCO1)[N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZINC000796937456 660947947 /nfs/dbraw/zinc/94/79/47/660947947.db2.gz JQDHSCTUMFJKCN-UHFFFAOYSA-N -1 0 369.443 -0.072 20 0 FBADRM Cc1cc(Cn2nnc(C(=O)[N-]S(=O)(=O)c3cnccn3)c2C)on1 ZINC000796971202 660948108 /nfs/dbraw/zinc/94/81/08/660948108.db2.gz PAJGQZPMQYZPSP-UHFFFAOYSA-N -1 0 363.359 -0.160 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1cnn(-c2cc(C)ccn2)c1 ZINC000796979412 660948128 /nfs/dbraw/zinc/94/81/28/660948128.db2.gz ROZIQXYYZGAYPK-UHFFFAOYSA-N -1 0 366.403 -0.300 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000796983998 660948110 /nfs/dbraw/zinc/94/81/10/660948110.db2.gz RANRKPCQNFCRCR-UHFFFAOYSA-N -1 0 371.415 -0.115 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccoc1CC(N)=O ZINC000796991317 660948261 /nfs/dbraw/zinc/94/82/61/660948261.db2.gz WSVKGQHETHBZLZ-JTQLQIEISA-N -1 0 373.387 -0.691 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccoc1CC(N)=O ZINC000796991320 660948394 /nfs/dbraw/zinc/94/83/94/660948394.db2.gz WSVKGQHETHBZLZ-SNVBAGLBSA-N -1 0 373.387 -0.691 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)CCn1cnccc1=O ZINC000796994979 660948296 /nfs/dbraw/zinc/94/82/96/660948296.db2.gz FLZKSTRYCHJWCX-UHFFFAOYSA-N -1 0 367.431 -0.003 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2cnn3c2OCCC3)s1 ZINC000796995340 660948403 /nfs/dbraw/zinc/94/84/03/660948403.db2.gz ATNBAKSWCWXQBB-UHFFFAOYSA-N -1 0 372.388 -0.406 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCNC(=O)NC)nc1 ZINC000796996839 660948340 /nfs/dbraw/zinc/94/83/40/660948340.db2.gz QRBCTVPTCILWHR-UHFFFAOYSA-N -1 0 358.376 -0.618 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)Cc2cnn(C)c2C)s1 ZINC000796997633 660948336 /nfs/dbraw/zinc/94/83/36/660948336.db2.gz XAFQWZMTMJCYMK-UHFFFAOYSA-N -1 0 358.405 -0.414 20 0 FBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)[nH]1 ZINC000796998065 660948317 /nfs/dbraw/zinc/94/83/17/660948317.db2.gz ZZTYFTDCXVIFAI-UHFFFAOYSA-N -1 0 373.372 -0.270 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)COCc1nnc(C)s1 ZINC000797028268 660948366 /nfs/dbraw/zinc/94/83/66/660948366.db2.gz UJCDSEWDLUQBIZ-UHFFFAOYSA-N -1 0 351.406 -0.238 20 0 FBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)CCCC(=O)OC)CCOCC1 ZINC000797028658 660948362 /nfs/dbraw/zinc/94/83/62/660948362.db2.gz YOAQSYJXGFYIKZ-UHFFFAOYSA-N -1 0 365.404 -0.255 20 0 FBADRM O=C(CCn1cnccc1=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000797032336 660948611 /nfs/dbraw/zinc/94/86/11/660948611.db2.gz SCQASDGIXAAMBT-UHFFFAOYSA-N -1 0 351.340 -0.133 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000797046676 660948658 /nfs/dbraw/zinc/94/86/58/660948658.db2.gz AIKPNKIWUAKLDF-UHFFFAOYSA-N -1 0 356.404 -0.488 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CCn2cnccc2=O)cn1 ZINC000797055564 660948591 /nfs/dbraw/zinc/94/85/91/660948591.db2.gz QPUBPELSKBWEFI-UHFFFAOYSA-N -1 0 352.372 -0.068 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)CCn2cnccc2=O)c1 ZINC000797058711 660948588 /nfs/dbraw/zinc/94/85/88/660948588.db2.gz URAALFCNKXIYAG-UHFFFAOYSA-N -1 0 353.404 -0.009 20 0 FBADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)c1cn(CC(N)=O)nn1 ZINC000797059656 660948619 /nfs/dbraw/zinc/94/86/19/660948619.db2.gz HUBGAQNNRZXRRL-UHFFFAOYSA-N -1 0 373.778 -0.456 20 0 FBADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)Cn1ncn(C)c1=O ZINC000797062766 660948580 /nfs/dbraw/zinc/94/85/80/660948580.db2.gz XVLYRZQWEKRQBN-UHFFFAOYSA-N -1 0 360.779 -0.251 20 0 FBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)N2CCOCC2)CCOCC1 ZINC000797068643 660948649 /nfs/dbraw/zinc/94/86/49/660948649.db2.gz ASIYWBCWTUQHNV-UHFFFAOYSA-N -1 0 350.393 -0.961 20 0 FBADRM Cn1c(C(=O)[N-]S(=O)(=O)N2CCOCC2)cc2ccccc2c1=O ZINC000797068711 660948606 /nfs/dbraw/zinc/94/86/06/660948606.db2.gz BUUJAHXSRUZAHW-UHFFFAOYSA-N -1 0 351.384 -0.155 20 0 FBADRM C[C@@H](CNC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000797070462 660948535 /nfs/dbraw/zinc/94/85/35/660948535.db2.gz NEAPQFIGTRVQPD-JTQLQIEISA-N -1 0 351.425 -0.160 20 0 FBADRM C[C@H](CNC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000797070463 660948628 /nfs/dbraw/zinc/94/86/28/660948628.db2.gz NEAPQFIGTRVQPD-SNVBAGLBSA-N -1 0 351.425 -0.160 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)N2CCOCC2)nnn1Cc1ccncc1 ZINC000797070946 660948595 /nfs/dbraw/zinc/94/85/95/660948595.db2.gz OUTWCDJSHGRFIY-UHFFFAOYSA-N -1 0 366.403 -0.663 20 0 FBADRM CN(CCC(=O)[N-]S(=O)(=O)N1CCOCC1)C(=O)OC(C)(C)C ZINC000797071574 660948662 /nfs/dbraw/zinc/94/86/62/660948662.db2.gz SNQVECBISZTZGR-UHFFFAOYSA-N -1 0 351.425 -0.063 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccnc(NC(=O)C2CC2)c1 ZINC000797071627 660948584 /nfs/dbraw/zinc/94/85/84/660948584.db2.gz UFIWVWGETWAPSK-UHFFFAOYSA-N -1 0 354.388 -0.263 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1ccon1)[C@H]1COCCN1CC(F)(F)F ZINC000797091259 660948639 /nfs/dbraw/zinc/94/86/39/660948639.db2.gz XXDJOEPNJCFMCM-SECBINFHSA-N -1 0 357.310 -0.116 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1ccon1)[C@@H]1COCCN1CC(F)(F)F ZINC000797091260 660948593 /nfs/dbraw/zinc/94/85/93/660948593.db2.gz XXDJOEPNJCFMCM-VIFPVBQESA-N -1 0 357.310 -0.116 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2CC(F)(F)F)cn1 ZINC000797107021 660948575 /nfs/dbraw/zinc/94/85/75/660948575.db2.gz OXPCWTUFTFBKOU-JTQLQIEISA-N -1 0 370.353 -0.029 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2CC(F)(F)F)cn1 ZINC000797107022 660948531 /nfs/dbraw/zinc/94/85/31/660948531.db2.gz OXPCWTUFTFBKOU-SNVBAGLBSA-N -1 0 370.353 -0.029 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)c2cnn3c2OCCC3)c(C)nn1C ZINC000797116841 660948534 /nfs/dbraw/zinc/94/85/34/660948534.db2.gz ABVDAACDPJNVAJ-UHFFFAOYSA-N -1 0 355.376 -0.165 20 0 FBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2OC)[nH]1 ZINC000797119911 660948555 /nfs/dbraw/zinc/94/85/55/660948555.db2.gz WTOSSQBGOPDMBJ-UHFFFAOYSA-N -1 0 356.360 -0.029 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000797122409 660948564 /nfs/dbraw/zinc/94/85/64/660948564.db2.gz VMDOUJZEZFUOGI-UHFFFAOYSA-N -1 0 369.403 -0.999 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000797125386 660948517 /nfs/dbraw/zinc/94/85/17/660948517.db2.gz CMPWGZQUARVMKB-JZYVYDRUSA-N -1 0 371.419 -0.267 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)(F)F ZINC000797127913 660948616 /nfs/dbraw/zinc/94/86/16/660948616.db2.gz HAQFIYQMZONXOQ-SECBINFHSA-N -1 0 363.358 -0.811 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000797127914 660948897 /nfs/dbraw/zinc/94/88/97/660948897.db2.gz HAQFIYQMZONXOQ-VIFPVBQESA-N -1 0 363.358 -0.811 20 0 FBADRM O=C(CCn1cnccc1=O)[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000797127943 660948567 /nfs/dbraw/zinc/94/85/67/660948567.db2.gz NAHHTEILXRGQPL-UHFFFAOYSA-N -1 0 351.388 -0.255 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000797128949 660948888 /nfs/dbraw/zinc/94/88/88/660948888.db2.gz JMRISFUHGPNZQO-UHFFFAOYSA-N -1 0 355.416 -0.071 20 0 FBADRM CCOC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCNC(=O)NC)c1 ZINC000797129291 660948815 /nfs/dbraw/zinc/94/88/15/660948815.db2.gz WPHUPCMJPLGVLP-UHFFFAOYSA-N -1 0 357.388 -0.013 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 ZINC000797131264 660948900 /nfs/dbraw/zinc/94/89/00/660948900.db2.gz KIYPPGWXCMJRLR-GFCCVEGCSA-N -1 0 371.463 -0.102 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 ZINC000797131265 660948951 /nfs/dbraw/zinc/94/89/51/660948951.db2.gz KIYPPGWXCMJRLR-LBPRGKRZSA-N -1 0 371.463 -0.102 20 0 FBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)N(C)CCOC)CCOCC1 ZINC000797131624 660948852 /nfs/dbraw/zinc/94/88/52/660948852.db2.gz WJHFAZKRRPWWEW-UHFFFAOYSA-N -1 0 352.409 -0.715 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1nnn(Cc2ccncc2)c1C ZINC000797131708 660948883 /nfs/dbraw/zinc/94/88/83/660948883.db2.gz XCZARRUBPWPZKK-UHFFFAOYSA-N -1 0 368.419 -0.417 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccnc(NC(=O)C2CC2)c1 ZINC000797131760 660948946 /nfs/dbraw/zinc/94/89/46/660948946.db2.gz XYGCHLIPCHGKIT-UHFFFAOYSA-N -1 0 356.404 -0.017 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnccn1)[C@H]1COCCN1CC(F)(F)F ZINC000797133298 660948974 /nfs/dbraw/zinc/94/89/74/660948974.db2.gz KCTQXPAFRNGPPX-MRVPVSSYSA-N -1 0 354.310 -0.455 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnccn1)[C@@H]1COCCN1CC(F)(F)F ZINC000797133301 660948954 /nfs/dbraw/zinc/94/89/54/660948954.db2.gz KCTQXPAFRNGPPX-QMMMGPOBSA-N -1 0 354.310 -0.455 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2cnccn2)nnn1Cc1ccncc1 ZINC000797136400 660948941 /nfs/dbraw/zinc/94/89/41/660948941.db2.gz XKUFTMQEATUQOR-UHFFFAOYSA-N -1 0 359.371 -0.061 20 0 FBADRM Cc1cc(Cn2nnc(C(=O)[N-]S(=O)(=O)c3cc[nH]n3)c2C)on1 ZINC000797141963 660948886 /nfs/dbraw/zinc/94/88/86/660948886.db2.gz LNNAMSIKGLRLOD-UHFFFAOYSA-N -1 0 351.348 -0.227 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000797142099 660948843 /nfs/dbraw/zinc/94/88/43/660948843.db2.gz MLTVVKGUMAZCIR-UHFFFAOYSA-N -1 0 368.371 -0.964 20 0 FBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)CCOCCOC)CCOCC1 ZINC000797155623 660948879 /nfs/dbraw/zinc/94/88/79/660948879.db2.gz WBTOPTPBGQSBLN-UHFFFAOYSA-N -1 0 367.420 -0.545 20 0 FBADRM CC(=O)c1cc(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)c(C)cc1C ZINC000797180763 660948831 /nfs/dbraw/zinc/94/88/31/660948831.db2.gz DAIFXBLQMGDXOL-UHFFFAOYSA-N -1 0 366.399 -0.094 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)[C@H]1COCCN1CC(F)(F)F ZINC000797186948 660948912 /nfs/dbraw/zinc/94/89/12/660948912.db2.gz WFMYTMXEMLLFNQ-NXEZZACHSA-N -1 0 360.354 -0.268 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)[C@@H]1COCCN1CC(F)(F)F ZINC000797186952 660948950 /nfs/dbraw/zinc/94/89/50/660948950.db2.gz WFMYTMXEMLLFNQ-UWVGGRQHSA-N -1 0 360.354 -0.268 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)[C@H]1COCCN1CC(F)(F)F ZINC000797186953 660948893 /nfs/dbraw/zinc/94/88/93/660948893.db2.gz WFMYTMXEMLLFNQ-VHSXEESVSA-N -1 0 360.354 -0.268 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)[C@@H]1COCCN1CC(F)(F)F ZINC000797186954 660948870 /nfs/dbraw/zinc/94/88/70/660948870.db2.gz WFMYTMXEMLLFNQ-ZJUUUORDSA-N -1 0 360.354 -0.268 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)OC)c1 ZINC000797200190 660948838 /nfs/dbraw/zinc/94/88/38/660948838.db2.gz QGBKNOJYZSWTRN-UHFFFAOYSA-N -1 0 357.388 -0.262 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)NC)cc1 ZINC000797218025 660948922 /nfs/dbraw/zinc/94/89/22/660948922.db2.gz OWSWSVSEZVLRGD-UHFFFAOYSA-N -1 0 356.404 -0.689 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccoc2CC(N)=O)cc1 ZINC000797231340 660949179 /nfs/dbraw/zinc/94/91/79/660949179.db2.gz GWNGXJARFDPKSW-UHFFFAOYSA-N -1 0 365.367 -0.214 20 0 FBADRM CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)CCn1cnccc1=O ZINC000797246132 660949136 /nfs/dbraw/zinc/94/91/36/660949136.db2.gz AGXQYFORRCUZPF-UHFFFAOYSA-N -1 0 374.419 -0.396 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C ZINC000797246185 660949166 /nfs/dbraw/zinc/94/91/66/660949166.db2.gz AZQDVNXOYXQDTH-UHFFFAOYSA-N -1 0 352.413 -0.724 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000797246353 660949199 /nfs/dbraw/zinc/94/91/99/660949199.db2.gz CZCISQVFTYREAU-UHFFFAOYSA-N -1 0 372.378 -0.166 20 0 FBADRM O=C(CCCN1C(=O)CNC1=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000797247177 660949140 /nfs/dbraw/zinc/94/91/40/660949140.db2.gz FLQINBMGDQBNJC-UHFFFAOYSA-N -1 0 367.383 -0.242 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCO3)c(=O)n(C)c1=O ZINC000797247270 660949109 /nfs/dbraw/zinc/94/91/09/660949109.db2.gz GTTPSADUZRWMMS-UHFFFAOYSA-N -1 0 365.367 -0.862 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1cccc(OCCOC)c1 ZINC000797247572 660949150 /nfs/dbraw/zinc/94/91/50/660949150.db2.gz GFWZVQUXBAJPKI-UHFFFAOYSA-N -1 0 359.404 -0.164 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCO3)c(=O)[nH]c1=O ZINC000797247600 660949196 /nfs/dbraw/zinc/94/91/96/660949196.db2.gz IFKKSQPZHDCEGE-UHFFFAOYSA-N -1 0 351.340 -0.461 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCO3)CC1=O ZINC000797247619 660949202 /nfs/dbraw/zinc/94/92/02/660949202.db2.gz INXJPPUYRUFETN-GFCCVEGCSA-N -1 0 368.411 -0.079 20 0 FBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCO3)CC1=O ZINC000797247621 660949206 /nfs/dbraw/zinc/94/92/06/660949206.db2.gz INXJPPUYRUFETN-LBPRGKRZSA-N -1 0 368.411 -0.079 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000797247803 660949135 /nfs/dbraw/zinc/94/91/35/660949135.db2.gz LTFNGHXCHUSXTO-GFCCVEGCSA-N -1 0 374.440 -0.150 20 0 FBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000797247807 660949122 /nfs/dbraw/zinc/94/91/22/660949122.db2.gz LTFNGHXCHUSXTO-LBPRGKRZSA-N -1 0 374.440 -0.150 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CCNC(=O)NC)CC1 ZINC000797247992 660949156 /nfs/dbraw/zinc/94/91/56/660949156.db2.gz LZBWNVRIQBRYDO-UHFFFAOYSA-N -1 0 364.424 -0.628 20 0 FBADRM O=C(CCN1CCCS1(=O)=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000797249608 660949181 /nfs/dbraw/zinc/94/91/81/660949181.db2.gz HJRRFMOATNWALG-UHFFFAOYSA-N -1 0 374.440 -0.148 20 0 FBADRM O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000797251539 660949080 /nfs/dbraw/zinc/94/90/80/660949080.db2.gz PZJHDMYRXVOFHO-UHFFFAOYSA-N -1 0 352.368 -0.035 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)CCC(F)(F)F)nn1 ZINC000797253282 660949188 /nfs/dbraw/zinc/94/91/88/660949188.db2.gz DKCSYJNHHWRBEJ-UHFFFAOYSA-N -1 0 357.314 -0.622 20 0 FBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000797258991 660949107 /nfs/dbraw/zinc/94/91/07/660949107.db2.gz PDNVPWOAKQGMDP-UHFFFAOYSA-N -1 0 360.413 -0.538 20 0 FBADRM Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)CCC(F)(F)F)c(=O)n(C)c1=O ZINC000797263725 660949475 /nfs/dbraw/zinc/94/94/75/660949475.db2.gz BBHOSOHXKTXKIC-ARJAWSKDSA-N -1 0 369.321 -0.504 20 0 FBADRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)CCC(F)(F)F)c(=O)n(C)c1=O ZINC000797263731 660949466 /nfs/dbraw/zinc/94/94/66/660949466.db2.gz BBHOSOHXKTXKIC-ONEGZZNKSA-N -1 0 369.321 -0.504 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)CCC(F)(F)F ZINC000797263905 660949462 /nfs/dbraw/zinc/94/94/62/660949462.db2.gz PXZYENFUOHABCD-SECBINFHSA-N -1 0 373.353 -0.488 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)CCC(F)(F)F ZINC000797263909 660949408 /nfs/dbraw/zinc/94/94/08/660949408.db2.gz PXZYENFUOHABCD-VIFPVBQESA-N -1 0 373.353 -0.488 20 0 FBADRM O=C(CCN1CCCS1(=O)=O)[N-]S(=O)(=O)CCC(F)(F)F ZINC000797264708 660949400 /nfs/dbraw/zinc/94/94/00/660949400.db2.gz RGVIBJVCJQGYME-UHFFFAOYSA-N -1 0 352.356 -0.190 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)CCC(F)(F)F)C(=O)C1=O ZINC000797265190 660949381 /nfs/dbraw/zinc/94/93/81/660949381.db2.gz XHJNQSOJUOZHQW-UHFFFAOYSA-N -1 0 359.326 -0.925 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)CCC(F)(F)F ZINC000797265233 660949456 /nfs/dbraw/zinc/94/94/56/660949456.db2.gz XWHBWGQKOWUUBO-SSDOTTSWSA-N -1 0 352.356 -0.191 20 0 FBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)CCC(F)(F)F ZINC000797265238 660949379 /nfs/dbraw/zinc/94/93/79/660949379.db2.gz XWHBWGQKOWUUBO-ZETCQYMHSA-N -1 0 352.356 -0.191 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cn2ccc(Br)cc2n1 ZINC000797272960 660949445 /nfs/dbraw/zinc/94/94/45/660949445.db2.gz AMHAUASTDPEETG-UHFFFAOYSA-N -1 0 361.177 -0.358 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)CC1 ZINC000797278083 660949468 /nfs/dbraw/zinc/94/94/68/660949468.db2.gz BEPNUAYGAYKJBP-SECBINFHSA-N -1 0 370.449 -0.944 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)CC1 ZINC000797278092 660949375 /nfs/dbraw/zinc/94/93/75/660949375.db2.gz BEPNUAYGAYKJBP-VIFPVBQESA-N -1 0 370.449 -0.944 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CN(C)C(=O)c2ccccc21 ZINC000797278104 660949477 /nfs/dbraw/zinc/94/94/77/660949477.db2.gz BHICRZUEQPNUGK-BXKDBHETSA-N -1 0 354.384 -0.137 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CN(C)C(=O)c2ccccc21 ZINC000797278108 660949738 /nfs/dbraw/zinc/94/97/38/660949738.db2.gz BHICRZUEQPNUGK-CABZTGNLSA-N -1 0 354.384 -0.137 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CN(C)C(=O)c2ccccc21 ZINC000797278112 660949705 /nfs/dbraw/zinc/94/97/05/660949705.db2.gz BHICRZUEQPNUGK-JOYOIKCWSA-N -1 0 354.384 -0.137 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CN(C)C(=O)c2ccccc21 ZINC000797278117 660949677 /nfs/dbraw/zinc/94/96/77/660949677.db2.gz BHICRZUEQPNUGK-SKDRFNHKSA-N -1 0 354.384 -0.137 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000797278193 660949652 /nfs/dbraw/zinc/94/96/52/660949652.db2.gz BSHCSKWWNHSGEA-SECBINFHSA-N -1 0 368.371 -0.808 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000797278198 660949712 /nfs/dbraw/zinc/94/97/12/660949712.db2.gz BSHCSKWWNHSGEA-VIFPVBQESA-N -1 0 368.371 -0.808 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)C1 ZINC000797278524 660949639 /nfs/dbraw/zinc/94/96/39/660949639.db2.gz CCAMNRAQSIIXSM-NXEZZACHSA-N -1 0 370.449 -0.944 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)C1 ZINC000797278526 660949756 /nfs/dbraw/zinc/94/97/56/660949756.db2.gz CCAMNRAQSIIXSM-UWVGGRQHSA-N -1 0 370.449 -0.944 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)C1 ZINC000797278529 660949661 /nfs/dbraw/zinc/94/96/61/660949661.db2.gz CCAMNRAQSIIXSM-VHSXEESVSA-N -1 0 370.449 -0.944 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)C1 ZINC000797278530 660949655 /nfs/dbraw/zinc/94/96/55/660949655.db2.gz CCAMNRAQSIIXSM-ZJUUUORDSA-N -1 0 370.449 -0.944 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CN1CCN(c2ccccn2)CC1 ZINC000797278994 660949697 /nfs/dbraw/zinc/94/96/97/660949697.db2.gz BNWBZMRUCXUNGD-GFCCVEGCSA-N -1 0 370.431 -0.789 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CN1CCN(c2ccccn2)CC1 ZINC000797278998 660949758 /nfs/dbraw/zinc/94/97/58/660949758.db2.gz BNWBZMRUCXUNGD-LBPRGKRZSA-N -1 0 370.431 -0.789 20 0 FBADRM CNC(=O)c1cncc(/C=C/C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)c1 ZINC000797279286 660949744 /nfs/dbraw/zinc/94/97/44/660949744.db2.gz GDZQBAKEGMBWOL-MOVJSRMASA-N -1 0 355.372 -0.538 20 0 FBADRM CNC(=O)c1cncc(/C=C\C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)c1 ZINC000797279288 660949709 /nfs/dbraw/zinc/94/97/09/660949709.db2.gz GDZQBAKEGMBWOL-WBSSQXGSSA-N -1 0 355.372 -0.538 20 0 FBADRM CNC(=O)c1cncc(/C=C/C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)c1 ZINC000797279291 660949701 /nfs/dbraw/zinc/94/97/01/660949701.db2.gz GDZQBAKEGMBWOL-XNPJLODASA-N -1 0 355.372 -0.538 20 0 FBADRM CNC(=O)c1cncc(/C=C\C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)c1 ZINC000797279295 660949764 /nfs/dbraw/zinc/94/97/64/660949764.db2.gz GDZQBAKEGMBWOL-XRVBUDJMSA-N -1 0 355.372 -0.538 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CN1C(=O)COc2ccccc21 ZINC000797279592 660949693 /nfs/dbraw/zinc/94/96/93/660949693.db2.gz DCINGVKGODJHDN-SECBINFHSA-N -1 0 356.356 -0.581 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CN1C(=O)COc2ccccc21 ZINC000797279593 660949727 /nfs/dbraw/zinc/94/97/27/660949727.db2.gz DCINGVKGODJHDN-VIFPVBQESA-N -1 0 356.356 -0.581 20 0 FBADRM CCOC(=O)N1CCC(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)CC1 ZINC000797279774 660949761 /nfs/dbraw/zinc/94/97/61/660949761.db2.gz HFRPSVMUQYBGHK-SECBINFHSA-N -1 0 350.393 -0.138 20 0 FBADRM CCOC(=O)N1CCC(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)CC1 ZINC000797279775 660949666 /nfs/dbraw/zinc/94/96/66/660949666.db2.gz HFRPSVMUQYBGHK-VIFPVBQESA-N -1 0 350.393 -0.138 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)n1 ZINC000797279952 660949662 /nfs/dbraw/zinc/94/96/62/660949662.db2.gz JDPMHEWTWHXAQS-JTQLQIEISA-N -1 0 352.372 -0.183 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)n1 ZINC000797279955 660949629 /nfs/dbraw/zinc/94/96/29/660949629.db2.gz JDPMHEWTWHXAQS-SNVBAGLBSA-N -1 0 352.372 -0.183 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cncc(N2CCOCC2)c1 ZINC000797280227 660949671 /nfs/dbraw/zinc/94/96/71/660949671.db2.gz FSFMYTYZGCROAC-JTQLQIEISA-N -1 0 357.388 -0.461 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cncc(N2CCOCC2)c1 ZINC000797280229 660949659 /nfs/dbraw/zinc/94/96/59/660949659.db2.gz FSFMYTYZGCROAC-SNVBAGLBSA-N -1 0 357.388 -0.461 20 0 FBADRM CCC(=O)N[C@@H](CCSC)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC ZINC000797281016 660949689 /nfs/dbraw/zinc/94/96/89/660949689.db2.gz DFVMKRBKZDSKDB-BDAKNGLRSA-N -1 0 354.450 -0.358 20 0 FBADRM CCC(=O)N[C@H](CCSC)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC ZINC000797281017 660949741 /nfs/dbraw/zinc/94/97/41/660949741.db2.gz DFVMKRBKZDSKDB-DTWKUNHWSA-N -1 0 354.450 -0.358 20 0 FBADRM CCC(=O)N[C@@H](CCSC)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC ZINC000797281019 660949718 /nfs/dbraw/zinc/94/97/18/660949718.db2.gz DFVMKRBKZDSKDB-IUCAKERBSA-N -1 0 354.450 -0.358 20 0 FBADRM CCC(=O)N[C@H](CCSC)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC ZINC000797281020 660949646 /nfs/dbraw/zinc/94/96/46/660949646.db2.gz DFVMKRBKZDSKDB-RKDXNWHRSA-N -1 0 354.450 -0.358 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc2c(cnn2C)c1OC ZINC000797282905 660949643 /nfs/dbraw/zinc/94/96/43/660949643.db2.gz OHERIYIUXSYJPE-SSDOTTSWSA-N -1 0 356.360 -0.402 20 0 FBADRM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC ZINC000797282913 660949734 /nfs/dbraw/zinc/94/97/34/660949734.db2.gz AWDLDOTXXLUMTK-AEJSXWLSSA-N -1 0 366.461 -0.059 20 0 FBADRM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC ZINC000797282919 660949732 /nfs/dbraw/zinc/94/97/32/660949732.db2.gz AWDLDOTXXLUMTK-GUBZILKMSA-N -1 0 366.461 -0.059 20 0 FBADRM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC ZINC000797282925 660949716 /nfs/dbraw/zinc/94/97/16/660949716.db2.gz AWDLDOTXXLUMTK-IVZWLZJFSA-N -1 0 366.461 -0.059 20 0 FBADRM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC ZINC000797282930 660949658 /nfs/dbraw/zinc/94/96/58/660949658.db2.gz AWDLDOTXXLUMTK-LPEHRKFASA-N -1 0 366.461 -0.059 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc2c(cnn2C)c1OC ZINC000797282934 660949674 /nfs/dbraw/zinc/94/96/74/660949674.db2.gz OHERIYIUXSYJPE-ZETCQYMHSA-N -1 0 356.360 -0.402 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CN1C(=O)CCc2ccccc21 ZINC000797283052 660949750 /nfs/dbraw/zinc/94/97/50/660949750.db2.gz RPHCOSNGVLYOBN-JTQLQIEISA-N -1 0 354.384 -0.027 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CN1C(=O)CCc2ccccc21 ZINC000797283058 660949753 /nfs/dbraw/zinc/94/97/53/660949753.db2.gz RPHCOSNGVLYOBN-SNVBAGLBSA-N -1 0 354.384 -0.027 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCn1c(C)c(C)sc1=O ZINC000797283470 660949682 /nfs/dbraw/zinc/94/96/82/660949682.db2.gz JBKUMECYQBPBQS-SECBINFHSA-N -1 0 350.418 -0.076 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCn1c(C)c(C)sc1=O ZINC000797283476 660949877 /nfs/dbraw/zinc/94/98/77/660949877.db2.gz JBKUMECYQBPBQS-VIFPVBQESA-N -1 0 350.418 -0.076 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000797283553 660949889 /nfs/dbraw/zinc/94/98/89/660949889.db2.gz PMGUKBDKXRPEHS-GXSJLCMTSA-N -1 0 358.372 -0.130 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000797283579 660949926 /nfs/dbraw/zinc/94/99/26/660949926.db2.gz PMGUKBDKXRPEHS-KOLCDFICSA-N -1 0 358.372 -0.130 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000797283582 660949887 /nfs/dbraw/zinc/94/98/87/660949887.db2.gz PMGUKBDKXRPEHS-MWLCHTKSSA-N -1 0 358.372 -0.130 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000797283585 660949895 /nfs/dbraw/zinc/94/98/95/660949895.db2.gz PMGUKBDKXRPEHS-ONGXEEELSA-N -1 0 358.372 -0.130 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc2c([nH]c1=O)CCCC2=O ZINC000797283895 660949904 /nfs/dbraw/zinc/94/99/04/660949904.db2.gz RCJKOKBASSSPCE-SSDOTTSWSA-N -1 0 356.356 -0.073 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2c([nH]c1=O)CCCC2=O ZINC000797283903 660949891 /nfs/dbraw/zinc/94/98/91/660949891.db2.gz RCJKOKBASSSPCE-ZETCQYMHSA-N -1 0 356.356 -0.073 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CSCC(=O)N1CCCCC1 ZINC000797284974 660949869 /nfs/dbraw/zinc/94/98/69/660949869.db2.gz SMFVQNHXSINGLR-JTQLQIEISA-N -1 0 366.461 -0.260 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CSCC(=O)N1CCCCC1 ZINC000797284979 660949852 /nfs/dbraw/zinc/94/98/52/660949852.db2.gz SMFVQNHXSINGLR-SNVBAGLBSA-N -1 0 366.461 -0.260 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)(F)F ZINC000797285046 660949898 /nfs/dbraw/zinc/94/98/98/660949898.db2.gz SYLYLVIIHOMEKC-HTQZYQBOSA-N -1 0 362.326 -0.743 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)(F)F ZINC000797285063 660949857 /nfs/dbraw/zinc/94/98/57/660949857.db2.gz SYLYLVIIHOMEKC-JGVFFNPUSA-N -1 0 362.326 -0.743 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000797285068 660949910 /nfs/dbraw/zinc/94/99/10/660949910.db2.gz SYLYLVIIHOMEKC-SFYZADRCSA-N -1 0 362.326 -0.743 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000797285073 660949880 /nfs/dbraw/zinc/94/98/80/660949880.db2.gz SYLYLVIIHOMEKC-YUMQZZPRSA-N -1 0 362.326 -0.743 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000797285398 660949923 /nfs/dbraw/zinc/94/99/23/660949923.db2.gz HYDLEFAERQBDCM-SECBINFHSA-N -1 0 367.383 -0.252 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000797285399 660949901 /nfs/dbraw/zinc/94/99/01/660949901.db2.gz HYDLEFAERQBDCM-VIFPVBQESA-N -1 0 367.383 -0.252 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc2sc(C)c(C)n2c1=O ZINC000797285435 660949930 /nfs/dbraw/zinc/94/99/30/660949930.db2.gz NEFVLFIOCZYHLU-MRVPVSSYSA-N -1 0 373.412 -0.006 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc2sc(C)c(C)n2c1=O ZINC000797285436 660949918 /nfs/dbraw/zinc/94/99/18/660949918.db2.gz NEFVLFIOCZYHLU-QMMMGPOBSA-N -1 0 373.412 -0.006 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CN1c2ccccc2OCCC1=O ZINC000797285583 660949914 /nfs/dbraw/zinc/94/99/14/660949914.db2.gz XPWRMXUBGNJTPN-JTQLQIEISA-N -1 0 370.383 -0.190 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CN1c2ccccc2OCCC1=O ZINC000797285588 660949861 /nfs/dbraw/zinc/94/98/61/660949861.db2.gz XPWRMXUBGNJTPN-SNVBAGLBSA-N -1 0 370.383 -0.190 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000797285757 660949863 /nfs/dbraw/zinc/94/98/63/660949863.db2.gz YWFJZLRGWWPWMK-DCAQKATOSA-N -1 0 374.415 -0.441 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000797285762 660949858 /nfs/dbraw/zinc/94/98/58/660949858.db2.gz YWFJZLRGWWPWMK-GARJFASQSA-N -1 0 374.415 -0.441 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000797285764 660949907 /nfs/dbraw/zinc/94/99/07/660949907.db2.gz YWFJZLRGWWPWMK-HBNTYKKESA-N -1 0 374.415 -0.441 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000797285767 660949929 /nfs/dbraw/zinc/94/99/29/660949929.db2.gz YWFJZLRGWWPWMK-MXWKQRLJSA-N -1 0 374.415 -0.441 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)nc1 ZINC000797288388 660949860 /nfs/dbraw/zinc/94/98/60/660949860.db2.gz VQBQLZBZSZCKMI-JTQLQIEISA-N -1 0 357.388 -0.461 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)nc1 ZINC000797288389 660949912 /nfs/dbraw/zinc/94/99/12/660949912.db2.gz VQBQLZBZSZCKMI-SNVBAGLBSA-N -1 0 357.388 -0.461 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000797288392 660949882 /nfs/dbraw/zinc/94/98/82/660949882.db2.gz VSEAJGUNOBMXDR-SECBINFHSA-N -1 0 363.413 -0.148 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000797288393 660949935 /nfs/dbraw/zinc/94/99/35/660949935.db2.gz VSEAJGUNOBMXDR-VIFPVBQESA-N -1 0 363.413 -0.148 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000797288776 660949915 /nfs/dbraw/zinc/94/99/15/660949915.db2.gz AGXYAXNTBQJAIX-MRVPVSSYSA-N -1 0 350.393 -0.139 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000797288777 660949850 /nfs/dbraw/zinc/94/98/50/660949850.db2.gz AGXYAXNTBQJAIX-QMMMGPOBSA-N -1 0 350.393 -0.139 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc2c(C)cccn2c1=O ZINC000797288955 660950116 /nfs/dbraw/zinc/95/01/16/660950116.db2.gz DPLPGGMLTQMBHK-SECBINFHSA-N -1 0 353.356 -0.376 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc2c(C)cccn2c1=O ZINC000797288958 660950080 /nfs/dbraw/zinc/95/00/80/660950080.db2.gz DPLPGGMLTQMBHK-VIFPVBQESA-N -1 0 353.356 -0.376 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Sc1nnnn1C1CC1 ZINC000797288959 660949870 /nfs/dbraw/zinc/94/98/70/660949870.db2.gz CIPDILMINFHNKL-BQBZGAKWSA-N -1 0 363.421 -0.504 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Sc1nnnn1C1CC1 ZINC000797288964 660949933 /nfs/dbraw/zinc/94/99/33/660949933.db2.gz CIPDILMINFHNKL-NKWVEPMBSA-N -1 0 363.421 -0.504 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nnnn1C1CC1 ZINC000797288967 660949920 /nfs/dbraw/zinc/94/99/20/660949920.db2.gz CIPDILMINFHNKL-RNFRBKRXSA-N -1 0 363.421 -0.504 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nnnn1C1CC1 ZINC000797288970 660950122 /nfs/dbraw/zinc/95/01/22/660950122.db2.gz CIPDILMINFHNKL-RQJHMYQMSA-N -1 0 363.421 -0.504 20 0 FBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)CCOCC1 ZINC000797288976 660950198 /nfs/dbraw/zinc/95/01/98/660950198.db2.gz FCBONTKCNYIYKY-SECBINFHSA-N -1 0 351.377 -0.646 20 0 FBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)CCOCC1 ZINC000797288977 660950142 /nfs/dbraw/zinc/95/01/42/660950142.db2.gz FCBONTKCNYIYKY-VIFPVBQESA-N -1 0 351.377 -0.646 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000797289175 660950204 /nfs/dbraw/zinc/95/02/04/660950204.db2.gz ASWOFFDCACIGGJ-SSDOTTSWSA-N -1 0 368.389 -0.849 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000797289177 660950099 /nfs/dbraw/zinc/95/00/99/660950099.db2.gz ASWOFFDCACIGGJ-ZETCQYMHSA-N -1 0 368.389 -0.849 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000797289306 660950206 /nfs/dbraw/zinc/95/02/06/660950206.db2.gz FZXHZBMAHCZEAJ-ACZMJKKPSA-N -1 0 360.310 -0.549 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000797289334 660950202 /nfs/dbraw/zinc/95/02/02/660950202.db2.gz FZXHZBMAHCZEAJ-LYFYHCNISA-N -1 0 360.310 -0.549 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000797289337 660950170 /nfs/dbraw/zinc/95/01/70/660950170.db2.gz FZXHZBMAHCZEAJ-RRKCRQDMSA-N -1 0 360.310 -0.549 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000797289339 660950197 /nfs/dbraw/zinc/95/01/97/660950197.db2.gz FZXHZBMAHCZEAJ-XVMARJQXSA-N -1 0 360.310 -0.549 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCS(=O)(=O)C1CCCC1 ZINC000797289514 660950185 /nfs/dbraw/zinc/95/01/85/660950185.db2.gz GEISEVFEDQXUFV-SECBINFHSA-N -1 0 355.434 -0.259 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCS(=O)(=O)C1CCCC1 ZINC000797289515 660950159 /nfs/dbraw/zinc/95/01/59/660950159.db2.gz GEISEVFEDQXUFV-VIFPVBQESA-N -1 0 355.434 -0.259 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000797289602 660950125 /nfs/dbraw/zinc/95/01/25/660950125.db2.gz CCQXLQNZUAQKNA-SECBINFHSA-N -1 0 357.388 -0.128 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000797289604 660950194 /nfs/dbraw/zinc/95/01/94/660950194.db2.gz CCQXLQNZUAQKNA-VIFPVBQESA-N -1 0 357.388 -0.128 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccccc1OCC(=O)N(C)C ZINC000797289967 660950102 /nfs/dbraw/zinc/95/01/02/660950102.db2.gz IBYMFXDWBAUXTF-JTQLQIEISA-N -1 0 372.399 -0.225 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccccc1OCC(=O)N(C)C ZINC000797289971 660950212 /nfs/dbraw/zinc/95/02/12/660950212.db2.gz IBYMFXDWBAUXTF-SNVBAGLBSA-N -1 0 372.399 -0.225 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000797289975 660950165 /nfs/dbraw/zinc/95/01/65/660950165.db2.gz ASGOCBGXGGYWDA-GZMMTYOYSA-N -1 0 356.356 -0.216 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000797289978 660950181 /nfs/dbraw/zinc/95/01/81/660950181.db2.gz ASGOCBGXGGYWDA-KCJUWKMLSA-N -1 0 356.356 -0.216 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000797289981 660950192 /nfs/dbraw/zinc/95/01/92/660950192.db2.gz ASGOCBGXGGYWDA-KWQFWETISA-N -1 0 356.356 -0.216 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000797289983 660950109 /nfs/dbraw/zinc/95/01/09/660950109.db2.gz ASGOCBGXGGYWDA-LDYMZIIASA-N -1 0 356.356 -0.216 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000797290065 660950112 /nfs/dbraw/zinc/95/01/12/660950112.db2.gz FPCOXXBUBIAKON-SSDOTTSWSA-N -1 0 373.778 -0.063 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000797290078 660950119 /nfs/dbraw/zinc/95/01/19/660950119.db2.gz FPCOXXBUBIAKON-ZETCQYMHSA-N -1 0 373.778 -0.063 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)c(C)c1 ZINC000797290157 660950087 /nfs/dbraw/zinc/95/00/87/660950087.db2.gz JEYVURJLFYNXEU-SECBINFHSA-N -1 0 353.360 -0.408 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)c(C)c1 ZINC000797290159 660950139 /nfs/dbraw/zinc/95/01/39/660950139.db2.gz JEYVURJLFYNXEU-VIFPVBQESA-N -1 0 353.360 -0.408 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000797290680 660950093 /nfs/dbraw/zinc/95/00/93/660950093.db2.gz HTTOMHBRVOIGFZ-MRVPVSSYSA-N -1 0 363.392 -0.896 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000797290683 660950130 /nfs/dbraw/zinc/95/01/30/660950130.db2.gz HTTOMHBRVOIGFZ-QMMMGPOBSA-N -1 0 363.392 -0.896 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000797290703 660950153 /nfs/dbraw/zinc/95/01/53/660950153.db2.gz KTJBJPZVQPDSJR-SECBINFHSA-N -1 0 367.383 -0.517 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000797290705 660950209 /nfs/dbraw/zinc/95/02/09/660950209.db2.gz KTJBJPZVQPDSJR-VIFPVBQESA-N -1 0 367.383 -0.517 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(F)cc1 ZINC000797290757 660950167 /nfs/dbraw/zinc/95/01/67/660950167.db2.gz LMUKIIUYKATMRQ-SECBINFHSA-N -1 0 360.363 -0.047 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(F)cc1 ZINC000797290759 660950199 /nfs/dbraw/zinc/95/01/99/660950199.db2.gz LMUKIIUYKATMRQ-VIFPVBQESA-N -1 0 360.363 -0.047 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000797290855 660950178 /nfs/dbraw/zinc/95/01/78/660950178.db2.gz CYGRKGULBJKNHQ-MRVPVSSYSA-N -1 0 369.355 -0.890 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000797290856 660950213 /nfs/dbraw/zinc/95/02/13/660950213.db2.gz CYGRKGULBJKNHQ-QMMMGPOBSA-N -1 0 369.355 -0.890 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000797290933 660950137 /nfs/dbraw/zinc/95/01/37/660950137.db2.gz IVYAMJOIIWKWHS-NXEZZACHSA-N -1 0 367.387 -0.091 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)n1nnc(-c2ccccc2)n1 ZINC000797290941 660950173 /nfs/dbraw/zinc/95/01/73/660950173.db2.gz IVYAMJOIIWKWHS-UWVGGRQHSA-N -1 0 367.387 -0.091 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)n1nnc(-c2ccccc2)n1 ZINC000797290945 660950188 /nfs/dbraw/zinc/95/01/88/660950188.db2.gz IVYAMJOIIWKWHS-VHSXEESVSA-N -1 0 367.387 -0.091 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000797290949 660950133 /nfs/dbraw/zinc/95/01/33/660950133.db2.gz IVYAMJOIIWKWHS-ZJUUUORDSA-N -1 0 367.387 -0.091 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000797291171 660950105 /nfs/dbraw/zinc/95/01/05/660950105.db2.gz MHNUVZGTXPPVPP-MRVPVSSYSA-N -1 0 369.359 -0.708 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000797291175 660950268 /nfs/dbraw/zinc/95/02/68/660950268.db2.gz MHNUVZGTXPPVPP-QMMMGPOBSA-N -1 0 369.359 -0.708 20 0 FBADRM CCn1c2ccccc2n(CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)c1=O ZINC000797291247 660950288 /nfs/dbraw/zinc/95/02/88/660950288.db2.gz MUMFYTYAOQMUJT-JTQLQIEISA-N -1 0 369.399 -0.170 20 0 FBADRM CCn1c2ccccc2n(CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)c1=O ZINC000797291267 660950366 /nfs/dbraw/zinc/95/03/66/660950366.db2.gz MUMFYTYAOQMUJT-SNVBAGLBSA-N -1 0 369.399 -0.170 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1-n1cc(C)cn1 ZINC000797292812 660950281 /nfs/dbraw/zinc/95/02/81/660950281.db2.gz UYORMLFTRIEVNO-JTQLQIEISA-N -1 0 369.403 -0.156 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1-n1cc(C)cn1 ZINC000797292814 660950331 /nfs/dbraw/zinc/95/03/31/660950331.db2.gz UYORMLFTRIEVNO-SNVBAGLBSA-N -1 0 369.403 -0.156 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cn1cnc2c(C)cccc2c1=O ZINC000797293539 660950320 /nfs/dbraw/zinc/95/03/20/660950320.db2.gz YPXOLEZGDGZVJO-JTQLQIEISA-N -1 0 367.383 -0.288 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1cnc2c(C)cccc2c1=O ZINC000797293541 660950292 /nfs/dbraw/zinc/95/02/92/660950292.db2.gz YPXOLEZGDGZVJO-SNVBAGLBSA-N -1 0 367.383 -0.288 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cn1cc(Br)cn1 ZINC000797293783 660950274 /nfs/dbraw/zinc/95/02/74/660950274.db2.gz OQQDIIZWYSYNNI-LURJTMIESA-N -1 0 354.182 -0.347 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1cc(Br)cn1 ZINC000797293786 660950360 /nfs/dbraw/zinc/95/03/60/660950360.db2.gz OQQDIIZWYSYNNI-ZCFIWIBFSA-N -1 0 354.182 -0.347 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000797294035 660950328 /nfs/dbraw/zinc/95/03/28/660950328.db2.gz PTSFLDBOQQKDTH-BQBZGAKWSA-N -1 0 360.310 -0.595 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000797294040 660950312 /nfs/dbraw/zinc/95/03/12/660950312.db2.gz PTSFLDBOQQKDTH-NKWVEPMBSA-N -1 0 360.310 -0.595 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000797294047 660950298 /nfs/dbraw/zinc/95/02/98/660950298.db2.gz PTSFLDBOQQKDTH-RNFRBKRXSA-N -1 0 360.310 -0.595 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000797294053 660950317 /nfs/dbraw/zinc/95/03/17/660950317.db2.gz PTSFLDBOQQKDTH-RQJHMYQMSA-N -1 0 360.310 -0.595 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CN1C(=O)c2ccc(C)cc2C1=O ZINC000797294777 660950271 /nfs/dbraw/zinc/95/02/71/660950271.db2.gz SEAPXILGRMNEQO-SECBINFHSA-N -1 0 368.367 -0.401 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CN1C(=O)c2ccc(C)cc2C1=O ZINC000797294778 660950352 /nfs/dbraw/zinc/95/03/52/660950352.db2.gz SEAPXILGRMNEQO-VIFPVBQESA-N -1 0 368.367 -0.401 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000797295364 660950364 /nfs/dbraw/zinc/95/03/64/660950364.db2.gz UJDKNXNNYMQZQB-MRVPVSSYSA-N -1 0 372.355 -0.847 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000797295365 660950294 /nfs/dbraw/zinc/95/02/94/660950294.db2.gz UJDKNXNNYMQZQB-QMMMGPOBSA-N -1 0 372.355 -0.847 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C[C@@H](NC(N)=O)c1ccccc1 ZINC000797296121 660950340 /nfs/dbraw/zinc/95/03/40/660950340.db2.gz VWKUVOWSBKERAZ-GXSJLCMTSA-N -1 0 357.388 -0.206 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@H](NC(N)=O)c1ccccc1 ZINC000797296123 660950290 /nfs/dbraw/zinc/95/02/90/660950290.db2.gz VWKUVOWSBKERAZ-KOLCDFICSA-N -1 0 357.388 -0.206 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@@H](NC(N)=O)c1ccccc1 ZINC000797296125 660950348 /nfs/dbraw/zinc/95/03/48/660950348.db2.gz VWKUVOWSBKERAZ-MWLCHTKSSA-N -1 0 357.388 -0.206 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C[C@H](NC(N)=O)c1ccccc1 ZINC000797296127 660950285 /nfs/dbraw/zinc/95/02/85/660950285.db2.gz VWKUVOWSBKERAZ-ONGXEEELSA-N -1 0 357.388 -0.206 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)C1=O ZINC000797296677 660950273 /nfs/dbraw/zinc/95/02/73/660950273.db2.gz AEURAGVPJHAAKV-MRVPVSSYSA-N -1 0 363.392 -0.896 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)C1=O ZINC000797296680 660950265 /nfs/dbraw/zinc/95/02/65/660950265.db2.gz AEURAGVPJHAAKV-QMMMGPOBSA-N -1 0 363.392 -0.896 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000797296786 660950342 /nfs/dbraw/zinc/95/03/42/660950342.db2.gz WRWQSOPVEVVYJZ-LURJTMIESA-N -1 0 355.415 -0.227 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000797296795 660950333 /nfs/dbraw/zinc/95/03/33/660950333.db2.gz WRWQSOPVEVVYJZ-ZCFIWIBFSA-N -1 0 355.415 -0.227 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(Br)nn1C ZINC000797296940 660950263 /nfs/dbraw/zinc/95/02/63/660950263.db2.gz XFXCBVABLCPPDK-RXMQYKEDSA-N -1 0 354.182 -0.196 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(Br)nn1C ZINC000797296944 660950313 /nfs/dbraw/zinc/95/03/13/660950313.db2.gz XFXCBVABLCPPDK-YFKPBYRVSA-N -1 0 354.182 -0.196 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CN1c2ccccc2O[C@H](C)C1=O ZINC000797297022 660950350 /nfs/dbraw/zinc/95/03/50/660950350.db2.gz XTFHRLYSYXYKDP-NXEZZACHSA-N -1 0 370.383 -0.192 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000797297024 660950305 /nfs/dbraw/zinc/95/03/05/660950305.db2.gz XTFHRLYSYXYKDP-UWVGGRQHSA-N -1 0 370.383 -0.192 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000797297026 660950337 /nfs/dbraw/zinc/95/03/37/660950337.db2.gz XTFHRLYSYXYKDP-VHSXEESVSA-N -1 0 370.383 -0.192 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CN1c2ccccc2O[C@H](C)C1=O ZINC000797297027 660950277 /nfs/dbraw/zinc/95/02/77/660950277.db2.gz XTFHRLYSYXYKDP-ZJUUUORDSA-N -1 0 370.383 -0.192 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CSc1nncn1C(C)C ZINC000797297559 660950324 /nfs/dbraw/zinc/95/03/24/660950324.db2.gz DXPCHHHAOJGANC-MRVPVSSYSA-N -1 0 350.422 -0.041 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CSc1nncn1C(C)C ZINC000797297562 660950519 /nfs/dbraw/zinc/95/05/19/660950519.db2.gz DXPCHHHAOJGANC-QMMMGPOBSA-N -1 0 350.422 -0.041 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(Cn2cncn2)cc1 ZINC000797297904 660950483 /nfs/dbraw/zinc/95/04/83/660950483.db2.gz MKTTXYULGNDHNP-JTQLQIEISA-N -1 0 352.372 -0.053 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(Cn2cncn2)cc1 ZINC000797297908 660950557 /nfs/dbraw/zinc/95/05/57/660950557.db2.gz MKTTXYULGNDHNP-SNVBAGLBSA-N -1 0 352.372 -0.053 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000797299200 660950582 /nfs/dbraw/zinc/95/05/82/660950582.db2.gz PGEWAXBLZIOAAL-BDAKNGLRSA-N -1 0 366.461 -0.059 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC000797299202 660950475 /nfs/dbraw/zinc/95/04/75/660950475.db2.gz PGEWAXBLZIOAAL-DTWKUNHWSA-N -1 0 366.461 -0.059 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000797299204 660950563 /nfs/dbraw/zinc/95/05/63/660950563.db2.gz PGEWAXBLZIOAAL-IUCAKERBSA-N -1 0 366.461 -0.059 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC000797299206 660950511 /nfs/dbraw/zinc/95/05/11/660950511.db2.gz PGEWAXBLZIOAAL-RKDXNWHRSA-N -1 0 366.461 -0.059 20 0 FBADRM CCCC[C@@H](NC(=O)NCC)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC ZINC000797299303 660950561 /nfs/dbraw/zinc/95/05/61/660950561.db2.gz QLHPGRRKWPURFK-NXEZZACHSA-N -1 0 351.425 -0.128 20 0 FBADRM CCCC[C@H](NC(=O)NCC)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC ZINC000797299304 660950553 /nfs/dbraw/zinc/95/05/53/660950553.db2.gz QLHPGRRKWPURFK-UWVGGRQHSA-N -1 0 351.425 -0.128 20 0 FBADRM CCCC[C@@H](NC(=O)NCC)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC ZINC000797299306 660950530 /nfs/dbraw/zinc/95/05/30/660950530.db2.gz QLHPGRRKWPURFK-VHSXEESVSA-N -1 0 351.425 -0.128 20 0 FBADRM CCCC[C@H](NC(=O)NCC)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC ZINC000797299307 660950586 /nfs/dbraw/zinc/95/05/86/660950586.db2.gz QLHPGRRKWPURFK-ZJUUUORDSA-N -1 0 351.425 -0.128 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000797299426 660950533 /nfs/dbraw/zinc/95/05/33/660950533.db2.gz LKGXHYYPOYETSP-MRVPVSSYSA-N -1 0 373.362 -0.024 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000797299427 660950572 /nfs/dbraw/zinc/95/05/72/660950572.db2.gz LKGXHYYPOYETSP-QMMMGPOBSA-N -1 0 373.362 -0.024 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)COCCNC(=O)OC(C)(C)C ZINC000797299562 660950589 /nfs/dbraw/zinc/95/05/89/660950589.db2.gz QSDXSFRHDFDBQH-SECBINFHSA-N -1 0 368.408 -0.465 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)COCCNC(=O)OC(C)(C)C ZINC000797299563 660950509 /nfs/dbraw/zinc/95/05/09/660950509.db2.gz QSDXSFRHDFDBQH-VIFPVBQESA-N -1 0 368.408 -0.465 20 0 FBADRM CCOC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)C1 ZINC000797299566 660950543 /nfs/dbraw/zinc/95/05/43/660950543.db2.gz QTGCVCZGNMXDMF-NXEZZACHSA-N -1 0 350.393 -0.138 20 0 FBADRM CCOC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)C1 ZINC000797299567 660950493 /nfs/dbraw/zinc/95/04/93/660950493.db2.gz QTGCVCZGNMXDMF-UWVGGRQHSA-N -1 0 350.393 -0.138 20 0 FBADRM CCOC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)C1 ZINC000797299568 660950596 /nfs/dbraw/zinc/95/05/96/660950596.db2.gz QTGCVCZGNMXDMF-VHSXEESVSA-N -1 0 350.393 -0.138 20 0 FBADRM CCOC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)C1 ZINC000797299569 660950501 /nfs/dbraw/zinc/95/05/01/660950501.db2.gz QTGCVCZGNMXDMF-ZJUUUORDSA-N -1 0 350.393 -0.138 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000797299574 660950470 /nfs/dbraw/zinc/95/04/70/660950470.db2.gz JRZWRGIPGLTDTD-MRVPVSSYSA-N -1 0 353.356 -0.445 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000797299575 660950549 /nfs/dbraw/zinc/95/05/49/660950549.db2.gz JRZWRGIPGLTDTD-QMMMGPOBSA-N -1 0 353.356 -0.445 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2CN1C(C)=O ZINC000797299576 660950579 /nfs/dbraw/zinc/95/05/79/660950579.db2.gz JSTHOPHMVYDKCR-HZMBPMFUSA-N -1 0 368.411 -0.033 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2CN1C(C)=O ZINC000797299577 660950520 /nfs/dbraw/zinc/95/05/20/660950520.db2.gz JSTHOPHMVYDKCR-IINYFYTJSA-N -1 0 368.411 -0.033 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2CN1C(C)=O ZINC000797299578 660950566 /nfs/dbraw/zinc/95/05/66/660950566.db2.gz JSTHOPHMVYDKCR-QMTHXVAHSA-N -1 0 368.411 -0.033 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2CN1C(C)=O ZINC000797299579 660950465 /nfs/dbraw/zinc/95/04/65/660950465.db2.gz JSTHOPHMVYDKCR-YGRLFVJLSA-N -1 0 368.411 -0.033 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCn1c2ccccc2n(C)c1=O ZINC000797299604 660950516 /nfs/dbraw/zinc/95/05/16/660950516.db2.gz KHKPQMOZIMTYOU-JTQLQIEISA-N -1 0 369.399 -0.262 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCn1c2ccccc2n(C)c1=O ZINC000797299607 660950468 /nfs/dbraw/zinc/95/04/68/660950468.db2.gz KHKPQMOZIMTYOU-SNVBAGLBSA-N -1 0 369.399 -0.262 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1-n1cccn1 ZINC000797300098 660950545 /nfs/dbraw/zinc/95/05/45/660950545.db2.gz LKBJDJWSMIBBKL-SECBINFHSA-N -1 0 355.376 -0.465 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1-n1cccn1 ZINC000797300100 660950451 /nfs/dbraw/zinc/95/04/51/660950451.db2.gz LKBJDJWSMIBBKL-VIFPVBQESA-N -1 0 355.376 -0.465 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCCNC(=O)c1cccnc1 ZINC000797300342 660950505 /nfs/dbraw/zinc/95/05/05/660950505.db2.gz UZNIQABVRNSPOQ-JTQLQIEISA-N -1 0 357.388 -0.401 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCCNC(=O)c1cccnc1 ZINC000797300343 660950592 /nfs/dbraw/zinc/95/05/92/660950592.db2.gz UZNIQABVRNSPOQ-SNVBAGLBSA-N -1 0 357.388 -0.401 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)Cc1cccc(F)c1 ZINC000797300848 660950527 /nfs/dbraw/zinc/95/05/27/660950527.db2.gz WRBNPBYNIBAZSA-SECBINFHSA-N -1 0 360.363 -0.508 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)Cc1cccc(F)c1 ZINC000797300863 660950537 /nfs/dbraw/zinc/95/05/37/660950537.db2.gz WRBNPBYNIBAZSA-VIFPVBQESA-N -1 0 360.363 -0.508 20 0 FBADRM CCn1cc(-c2nn(C)cc2C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)cn1 ZINC000797300958 660950457 /nfs/dbraw/zinc/95/04/57/660950457.db2.gz OHIBAGNGOCWQQL-SECBINFHSA-N -1 0 369.403 -0.075 20 0 FBADRM CCn1cc(-c2nn(C)cc2C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)cn1 ZINC000797300963 660950496 /nfs/dbraw/zinc/95/04/96/660950496.db2.gz OHIBAGNGOCWQQL-VIFPVBQESA-N -1 0 369.403 -0.075 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1Br ZINC000797301090 660950523 /nfs/dbraw/zinc/95/05/23/660950523.db2.gz SOBLYSAXIFNFRX-RXMQYKEDSA-N -1 0 354.182 -0.196 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1Br ZINC000797301091 660950578 /nfs/dbraw/zinc/95/05/78/660950578.db2.gz SOBLYSAXIFNFRX-YFKPBYRVSA-N -1 0 354.182 -0.196 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CN1CCc2ccccc2C1=O ZINC000797301142 660950479 /nfs/dbraw/zinc/95/04/79/660950479.db2.gz ULAZIUAOAVKGOQ-JTQLQIEISA-N -1 0 354.384 -0.308 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CN1CCc2ccccc2C1=O ZINC000797301146 660950766 /nfs/dbraw/zinc/95/07/66/660950766.db2.gz ULAZIUAOAVKGOQ-SNVBAGLBSA-N -1 0 354.384 -0.308 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc2scc(C)n2c1=O ZINC000797301235 660950753 /nfs/dbraw/zinc/95/07/53/660950753.db2.gz VCPBJLATZWLOLJ-SSDOTTSWSA-N -1 0 359.385 -0.314 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc2scc(C)n2c1=O ZINC000797301254 660950698 /nfs/dbraw/zinc/95/06/98/660950698.db2.gz VCPBJLATZWLOLJ-ZETCQYMHSA-N -1 0 359.385 -0.314 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(OC)cc1 ZINC000797301514 660950721 /nfs/dbraw/zinc/95/07/21/660950721.db2.gz QIQPJZHPIBHMEU-SECBINFHSA-N -1 0 358.372 -0.568 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(OC)cc1 ZINC000797301517 660950709 /nfs/dbraw/zinc/95/07/09/660950709.db2.gz QIQPJZHPIBHMEU-VIFPVBQESA-N -1 0 358.372 -0.568 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccccc1 ZINC000797301737 660950758 /nfs/dbraw/zinc/95/07/58/660950758.db2.gz WRHAIDREWOUTSZ-LLVKDONJSA-N -1 0 356.400 -0.257 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccccc1 ZINC000797301738 660950707 /nfs/dbraw/zinc/95/07/07/660950707.db2.gz WRHAIDREWOUTSZ-NSHDSACASA-N -1 0 356.400 -0.257 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000797301935 660950773 /nfs/dbraw/zinc/95/07/73/660950773.db2.gz DGRBHEMFFFSTAO-BBBLOLIVSA-N -1 0 360.388 -0.831 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000797301940 660950697 /nfs/dbraw/zinc/95/06/97/660950697.db2.gz DGRBHEMFFFSTAO-GUBZILKMSA-N -1 0 360.388 -0.831 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000797301944 660950723 /nfs/dbraw/zinc/95/07/23/660950723.db2.gz DGRBHEMFFFSTAO-IVZWLZJFSA-N -1 0 360.388 -0.831 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000797301948 660950774 /nfs/dbraw/zinc/95/07/74/660950774.db2.gz DGRBHEMFFFSTAO-LPEHRKFASA-N -1 0 360.388 -0.831 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)OCC(F)(F)F ZINC000797302022 660950763 /nfs/dbraw/zinc/95/07/63/660950763.db2.gz DQNPGIIWLLPBRL-LURJTMIESA-N -1 0 364.298 -0.328 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)OCC(F)(F)F ZINC000797302032 660950740 /nfs/dbraw/zinc/95/07/40/660950740.db2.gz DQNPGIIWLLPBRL-ZCFIWIBFSA-N -1 0 364.298 -0.328 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](NC(=O)c1ccccn1)C(C)C ZINC000797302087 660950730 /nfs/dbraw/zinc/95/07/30/660950730.db2.gz FGYROFMSVKUYBM-CMPLNLGQSA-N -1 0 371.415 -0.157 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)c1ccccn1)C(C)C ZINC000797302090 660950777 /nfs/dbraw/zinc/95/07/77/660950777.db2.gz FGYROFMSVKUYBM-JQWIXIFHSA-N -1 0 371.415 -0.157 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)c1ccccn1)C(C)C ZINC000797302093 660950743 /nfs/dbraw/zinc/95/07/43/660950743.db2.gz FGYROFMSVKUYBM-PWSUYJOCSA-N -1 0 371.415 -0.157 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](NC(=O)c1ccccn1)C(C)C ZINC000797302095 660950710 /nfs/dbraw/zinc/95/07/10/660950710.db2.gz FGYROFMSVKUYBM-ZYHUDNBSSA-N -1 0 371.415 -0.157 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1c2ccccc2n(C)c1=O ZINC000797302179 660950771 /nfs/dbraw/zinc/95/07/71/660950771.db2.gz YHCIBLKADKLWGZ-SECBINFHSA-N -1 0 355.372 -0.653 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cn1c2ccccc2n(C)c1=O ZINC000797302181 660950705 /nfs/dbraw/zinc/95/07/05/660950705.db2.gz YHCIBLKADKLWGZ-VIFPVBQESA-N -1 0 355.372 -0.653 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000797302237 660950696 /nfs/dbraw/zinc/95/06/96/660950696.db2.gz ZEZDESRTRCCWBD-SECBINFHSA-N -1 0 370.383 -0.042 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000797302238 660950751 /nfs/dbraw/zinc/95/07/51/660950751.db2.gz ZEZDESRTRCCWBD-VIFPVBQESA-N -1 0 370.383 -0.042 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000797302481 660950762 /nfs/dbraw/zinc/95/07/62/660950762.db2.gz TZJNTPVLGGUITG-SSDOTTSWSA-N -1 0 368.389 -0.849 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000797302483 660950700 /nfs/dbraw/zinc/95/07/00/660950700.db2.gz TZJNTPVLGGUITG-ZETCQYMHSA-N -1 0 368.389 -0.849 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCn1cnc2sccc2c1=O ZINC000797302640 660950768 /nfs/dbraw/zinc/95/07/68/660950768.db2.gz UTKKQGWDCKKERC-MRVPVSSYSA-N -1 0 373.412 -0.144 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCn1cnc2sccc2c1=O ZINC000797302644 660950726 /nfs/dbraw/zinc/95/07/26/660950726.db2.gz UTKKQGWDCKKERC-QMMMGPOBSA-N -1 0 373.412 -0.144 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000797302857 660950724 /nfs/dbraw/zinc/95/07/24/660950724.db2.gz VEYIFTYNIHWJFL-SECBINFHSA-N -1 0 353.360 -0.788 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000797302860 660950745 /nfs/dbraw/zinc/95/07/45/660950745.db2.gz VEYIFTYNIHWJFL-VIFPVBQESA-N -1 0 353.360 -0.788 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000797302945 660950765 /nfs/dbraw/zinc/95/07/65/660950765.db2.gz VXPWMHNFCDGGFG-NAKRPEOUSA-N -1 0 374.415 -0.442 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000797302948 660950755 /nfs/dbraw/zinc/95/07/55/660950755.db2.gz VXPWMHNFCDGGFG-UKKRHICBSA-N -1 0 374.415 -0.442 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000797302951 660950750 /nfs/dbraw/zinc/95/07/50/660950750.db2.gz VXPWMHNFCDGGFG-XWLWVQCSSA-N -1 0 374.415 -0.442 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000797302953 660950712 /nfs/dbraw/zinc/95/07/12/660950712.db2.gz VXPWMHNFCDGGFG-YTWAJWBKSA-N -1 0 374.415 -0.442 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1c(=O)cnc2ccccc21 ZINC000797303462 660950747 /nfs/dbraw/zinc/95/07/47/660950747.db2.gz JXIPVGQQRQRVCB-SECBINFHSA-N -1 0 353.356 -0.596 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cn1c(=O)cnc2ccccc21 ZINC000797303464 660950718 /nfs/dbraw/zinc/95/07/18/660950718.db2.gz JXIPVGQQRQRVCB-VIFPVBQESA-N -1 0 353.356 -0.596 20 0 FBADRM COC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)cc1 ZINC000797303526 660950715 /nfs/dbraw/zinc/95/07/15/660950715.db2.gz XSFNCUGDFYTAQK-SECBINFHSA-N -1 0 359.356 -0.141 20 0 FBADRM COC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)cc1 ZINC000797303601 660951034 /nfs/dbraw/zinc/95/10/34/660951034.db2.gz XSFNCUGDFYTAQK-VIFPVBQESA-N -1 0 359.356 -0.141 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000797303617 660950988 /nfs/dbraw/zinc/95/09/88/660950988.db2.gz KQYDVEBJBIETHV-MRVPVSSYSA-N -1 0 360.392 -0.486 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000797303623 660951070 /nfs/dbraw/zinc/95/10/70/660951070.db2.gz KQYDVEBJBIETHV-QMMMGPOBSA-N -1 0 360.392 -0.486 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000797303892 660951027 /nfs/dbraw/zinc/95/10/27/660951027.db2.gz ZPLIABSCYSVZRU-SSDOTTSWSA-N -1 0 357.344 -0.544 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000797303893 660951074 /nfs/dbraw/zinc/95/10/74/660951074.db2.gz ZPLIABSCYSVZRU-ZETCQYMHSA-N -1 0 357.344 -0.544 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(Cc2ccccn2)nn1 ZINC000797303919 660951083 /nfs/dbraw/zinc/95/10/83/660951083.db2.gz GODXEHXDSBSEMX-SECBINFHSA-N -1 0 353.360 -0.658 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(Cc2ccccn2)nn1 ZINC000797303920 660950994 /nfs/dbraw/zinc/95/09/94/660950994.db2.gz GODXEHXDSBSEMX-VIFPVBQESA-N -1 0 353.360 -0.658 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1nnn(Cc2ccncc2)c1C ZINC000797304353 660951018 /nfs/dbraw/zinc/95/10/18/660951018.db2.gz NRYTUPJJOUCWTC-JTQLQIEISA-N -1 0 367.387 -0.349 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1nnn(Cc2ccncc2)c1C ZINC000797304355 660951085 /nfs/dbraw/zinc/95/10/85/660951085.db2.gz NRYTUPJJOUCWTC-SNVBAGLBSA-N -1 0 367.387 -0.349 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC000797304932 660951054 /nfs/dbraw/zinc/95/10/54/660951054.db2.gz KSMQILSNGQCADJ-MRVPVSSYSA-N -1 0 355.376 -0.558 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC000797304935 660951038 /nfs/dbraw/zinc/95/10/38/660951038.db2.gz KSMQILSNGQCADJ-QMMMGPOBSA-N -1 0 355.376 -0.558 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2N1C(C)=O ZINC000797305512 660951031 /nfs/dbraw/zinc/95/10/31/660951031.db2.gz QZIACFVWJNSVER-RNCFNFMXSA-N -1 0 354.384 -0.028 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2N1C(C)=O ZINC000797305514 660950948 /nfs/dbraw/zinc/95/09/48/660950948.db2.gz QZIACFVWJNSVER-ZANVPECISA-N -1 0 354.384 -0.028 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000797306094 660951089 /nfs/dbraw/zinc/95/10/89/660951089.db2.gz MWZHJHOHBFZRRD-GHMZBOCLSA-N -1 0 369.399 -0.562 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000797306097 660951056 /nfs/dbraw/zinc/95/10/56/660951056.db2.gz MWZHJHOHBFZRRD-MNOVXSKESA-N -1 0 369.399 -0.562 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000797306101 660950985 /nfs/dbraw/zinc/95/09/85/660950985.db2.gz MWZHJHOHBFZRRD-QWRGUYRKSA-N -1 0 369.399 -0.562 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000797306104 660951029 /nfs/dbraw/zinc/95/10/29/660951029.db2.gz MWZHJHOHBFZRRD-WDEREUQCSA-N -1 0 369.399 -0.562 20 0 FBADRM COC(=O)COc1cccc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)c1 ZINC000797306119 660951080 /nfs/dbraw/zinc/95/10/80/660951080.db2.gz SGZWEWOFSMOQFT-SECBINFHSA-N -1 0 359.356 -0.141 20 0 FBADRM COC(=O)COc1cccc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)c1 ZINC000797306121 660951087 /nfs/dbraw/zinc/95/10/87/660951087.db2.gz SGZWEWOFSMOQFT-VIFPVBQESA-N -1 0 359.356 -0.141 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000797306257 660950953 /nfs/dbraw/zinc/95/09/53/660950953.db2.gz UIUGFZMHEZJRLR-SSDOTTSWSA-N -1 0 367.376 -0.150 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000797306259 660951016 /nfs/dbraw/zinc/95/10/16/660951016.db2.gz UIUGFZMHEZJRLR-ZETCQYMHSA-N -1 0 367.376 -0.150 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)COCCNC(=O)c1ccccc1 ZINC000797307043 660950990 /nfs/dbraw/zinc/95/09/90/660950990.db2.gz WKWLLEJADGAVSK-LLVKDONJSA-N -1 0 372.399 -0.560 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)COCCNC(=O)c1ccccc1 ZINC000797307046 660951050 /nfs/dbraw/zinc/95/10/50/660951050.db2.gz WKWLLEJADGAVSK-NSHDSACASA-N -1 0 372.399 -0.560 20 0 FBADRM CNC(=O)c1cccc(CCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)c1 ZINC000797307915 660950961 /nfs/dbraw/zinc/95/09/61/660950961.db2.gz XDPYWCBSUVEYLJ-JTQLQIEISA-N -1 0 356.400 -0.014 20 0 FBADRM CNC(=O)c1cccc(CCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)c1 ZINC000797307916 660951012 /nfs/dbraw/zinc/95/10/12/660951012.db2.gz XDPYWCBSUVEYLJ-SNVBAGLBSA-N -1 0 356.400 -0.014 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1csc(S(C)(=O)=O)c1 ZINC000797308279 660951021 /nfs/dbraw/zinc/95/10/21/660951021.db2.gz XGCAKJYXEMDMAY-LURJTMIESA-N -1 0 355.415 -0.227 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1csc(S(C)(=O)=O)c1 ZINC000797308280 660950940 /nfs/dbraw/zinc/95/09/40/660950940.db2.gz XGCAKJYXEMDMAY-ZCFIWIBFSA-N -1 0 355.415 -0.227 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccnn2C)nnn1Cc1ccncc1 ZINC000797318620 660950967 /nfs/dbraw/zinc/95/09/67/660950967.db2.gz ICHDGXZIMJUKQD-UHFFFAOYSA-N -1 0 361.387 -0.118 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)(F)F ZINC000797322012 660951051 /nfs/dbraw/zinc/95/10/51/660951051.db2.gz YMMKFASMPGDKRV-MRVPVSSYSA-N -1 0 356.326 -0.512 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000797322015 660951041 /nfs/dbraw/zinc/95/10/41/660951041.db2.gz YMMKFASMPGDKRV-QMMMGPOBSA-N -1 0 356.326 -0.512 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)C2(C(=O)OC)CC2)cc1 ZINC000797326567 660951283 /nfs/dbraw/zinc/95/12/83/660951283.db2.gz FJCGWUVSUONZNW-UHFFFAOYSA-N -1 0 354.384 -0.055 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)CN(C)C(=O)OC)cc1 ZINC000797326720 660951171 /nfs/dbraw/zinc/95/11/71/660951171.db2.gz PTZNKPTVQZEADL-UHFFFAOYSA-N -1 0 357.388 -0.310 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)N2C)cc1 ZINC000797327412 660951246 /nfs/dbraw/zinc/95/12/46/660951246.db2.gz KSYGHRGFUANRBO-LBPRGKRZSA-N -1 0 353.400 -0.387 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C2=O)cc1 ZINC000797327925 660951200 /nfs/dbraw/zinc/95/12/00/660951200.db2.gz WPJLWTKOQKZAHH-GFCCVEGCSA-N -1 0 353.400 -0.530 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C2=O)cc1 ZINC000797327926 660951261 /nfs/dbraw/zinc/95/12/61/660951261.db2.gz WPJLWTKOQKZAHH-LBPRGKRZSA-N -1 0 353.400 -0.530 20 0 FBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)NC)cc1 ZINC000797327984 660951209 /nfs/dbraw/zinc/95/12/09/660951209.db2.gz XHHDGMWACUWOIQ-JTQLQIEISA-N -1 0 355.416 -0.093 20 0 FBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)NC)cc1 ZINC000797328026 660951302 /nfs/dbraw/zinc/95/13/02/660951302.db2.gz XHHDGMWACUWOIQ-SNVBAGLBSA-N -1 0 355.416 -0.093 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)c2nnn(C)c2C)cc1 ZINC000797328048 660951292 /nfs/dbraw/zinc/95/12/92/660951292.db2.gz XVQIKNNAZUAERH-UHFFFAOYSA-N -1 0 351.388 -0.257 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)NC)cc1 ZINC000797329138 660951300 /nfs/dbraw/zinc/95/13/00/660951300.db2.gz LURZSUPKSXIEEM-AWEZNQCLSA-N -1 0 369.443 -0.287 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)NC)cc1 ZINC000797329139 660951181 /nfs/dbraw/zinc/95/11/81/660951181.db2.gz LURZSUPKSXIEEM-CQSZACIVSA-N -1 0 369.443 -0.287 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)OC)cc1 ZINC000797329306 660951257 /nfs/dbraw/zinc/95/12/57/660951257.db2.gz SWQHZCNQYFCPHO-VIFPVBQESA-N -1 0 357.388 -0.263 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)CN2CCOCC2)cc1 ZINC000797329329 660951178 /nfs/dbraw/zinc/95/11/78/660951178.db2.gz UJWFEHHHDTWSGI-UHFFFAOYSA-N -1 0 355.416 -0.676 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)CN(C)C(=O)C2CC2)cc1 ZINC000797330339 660951328 /nfs/dbraw/zinc/95/13/28/660951328.db2.gz FGKNTRXHXJVTQT-UHFFFAOYSA-N -1 0 367.427 -0.139 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)CN(C)C(=O)COC)cc1 ZINC000797330580 660951318 /nfs/dbraw/zinc/95/13/18/660951318.db2.gz BTMINOQMKBZFQF-UHFFFAOYSA-N -1 0 371.415 -0.903 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C(=O)C2)cc1 ZINC000797330700 660951304 /nfs/dbraw/zinc/95/13/04/660951304.db2.gz DHQGXYGFPKXDPU-CYBMUJFWSA-N -1 0 367.427 -0.139 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C(=O)C2)cc1 ZINC000797330701 660951167 /nfs/dbraw/zinc/95/11/67/660951167.db2.gz DHQGXYGFPKXDPU-ZDUSSCGKSA-N -1 0 367.427 -0.139 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)C2(C(=O)NC)CCC2)cc1 ZINC000797330722 660951326 /nfs/dbraw/zinc/95/13/26/660951326.db2.gz DSLJJMPTLQDAIG-UHFFFAOYSA-N -1 0 367.427 -0.092 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)o2)cc1 ZINC000797330748 660951271 /nfs/dbraw/zinc/95/12/71/660951271.db2.gz FHXCHEGMHJPOFP-UHFFFAOYSA-N -1 0 365.367 -0.002 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)CCNC(=O)OC)cc1 ZINC000797330788 660951224 /nfs/dbraw/zinc/95/12/24/660951224.db2.gz GROYWAUCAGKSHO-UHFFFAOYSA-N -1 0 357.388 -0.262 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)c2c[nH]c(C(N)=O)c2)cc1 ZINC000797330982 660951315 /nfs/dbraw/zinc/95/13/15/660951315.db2.gz KLOKLYAVCIKIGG-UHFFFAOYSA-N -1 0 364.383 -0.267 20 0 FBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)NC)cc1 ZINC000797330984 660951184 /nfs/dbraw/zinc/95/11/84/660951184.db2.gz UQGPSDDZXZWCAF-UHFFFAOYSA-N -1 0 355.416 -0.092 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)C2CN(C(C)=O)C2)cc1 ZINC000797331017 660951265 /nfs/dbraw/zinc/95/12/65/660951265.db2.gz LGMMAFIHDGLVQY-UHFFFAOYSA-N -1 0 353.400 -0.530 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)Cn2ccccc2=O)cc1 ZINC000797331086 660951297 /nfs/dbraw/zinc/95/12/97/660951297.db2.gz LWQUGNBMDDYLKF-UHFFFAOYSA-N -1 0 363.395 -0.146 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)c2coc(C(N)=O)c2)cc1 ZINC000797331410 660951306 /nfs/dbraw/zinc/95/13/06/660951306.db2.gz SIJNVEPTGKMZDZ-UHFFFAOYSA-N -1 0 365.367 -0.002 20 0 FBADRM CSCCO[N-]C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000797375332 660951510 /nfs/dbraw/zinc/95/15/10/660951510.db2.gz HODPVIOTRDSFKC-UHFFFAOYSA-N -1 0 351.381 -0.178 20 0 FBADRM COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)[N-]OCCSC)cc1 ZINC000797375493 660951423 /nfs/dbraw/zinc/95/14/23/660951423.db2.gz OKQFAACMGDAPJK-UHFFFAOYSA-N -1 0 369.399 -0.061 20 0 FBADRM CCOC(=O)Cn1cccc(NC(=O)C(=O)[N-]OCCSC)c1=O ZINC000797376256 660951507 /nfs/dbraw/zinc/95/15/07/660951507.db2.gz NHWYGWDBXRUOBM-UHFFFAOYSA-N -1 0 357.388 -0.239 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)[N-]N1CCCNC1=O)OCC(=O)N2 ZINC000797455545 660951919 /nfs/dbraw/zinc/95/19/19/660951919.db2.gz XNHODVONKCEJHB-UHFFFAOYSA-N -1 0 356.360 -0.365 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 ZINC000797539930 660951962 /nfs/dbraw/zinc/95/19/62/660951962.db2.gz LUGZDFIKQZCLTM-UHFFFAOYSA-N -1 0 370.793 -0.356 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000797559996 660952002 /nfs/dbraw/zinc/95/20/02/660952002.db2.gz XHBCPWRWBBKFSV-GFCCVEGCSA-N -1 0 369.399 -0.281 20 0 FBADRM CS(=O)(=O)NCCNC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000797706071 660952213 /nfs/dbraw/zinc/95/22/13/660952213.db2.gz JRJIEHBSGYCIHC-JTQLQIEISA-N -1 0 351.331 -0.061 20 0 FBADRM CS(=O)(=O)NCCNC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000797706072 660952263 /nfs/dbraw/zinc/95/22/63/660952263.db2.gz JRJIEHBSGYCIHC-SNVBAGLBSA-N -1 0 351.331 -0.061 20 0 FBADRM CS(=O)(=O)N1CCC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1 ZINC000797714992 660952208 /nfs/dbraw/zinc/95/22/08/660952208.db2.gz DMLUIFKFUGCALM-QWRGUYRKSA-N -1 0 351.400 -0.135 20 0 FBADRM COC(=O)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000797939182 660952733 /nfs/dbraw/zinc/95/27/33/660952733.db2.gz SQLFUNOBPJAHPL-MGCOHNPYSA-N -1 0 371.415 -0.092 20 0 FBADRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000797958827 660952781 /nfs/dbraw/zinc/95/27/81/660952781.db2.gz UAUAVUCATBPYQY-ZDUSSCGKSA-N -1 0 371.415 -0.131 20 0 FBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)c2cccc3nsnc32)c1=O ZINC000797968474 660952838 /nfs/dbraw/zinc/95/28/38/660952838.db2.gz XZOCMEYZXVCTNY-UHFFFAOYSA-N -1 0 354.373 -0.908 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cccc3nsnc32)c(=O)[nH]c1=O ZINC000797969912 660952814 /nfs/dbraw/zinc/95/28/14/660952814.db2.gz CGWFMBYHURCRDY-UHFFFAOYSA-N -1 0 367.368 -0.391 20 0 FBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000797970586 660952808 /nfs/dbraw/zinc/95/28/08/660952808.db2.gz CXZYBZGEPMEBAC-UHFFFAOYSA-N -1 0 356.385 -0.645 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000797973051 660952844 /nfs/dbraw/zinc/95/28/44/660952844.db2.gz MASHDTDYSFBIIV-UHFFFAOYSA-N -1 0 358.401 -0.399 20 0 FBADRM CNC(=O)[C@H](O)CNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000798129359 660953147 /nfs/dbraw/zinc/95/31/47/660953147.db2.gz MBYWLFOWKSGQMJ-LLVKDONJSA-N -1 0 350.400 -0.702 20 0 FBADRM CNC(=O)[C@@H](O)CNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000798129360 660953084 /nfs/dbraw/zinc/95/30/84/660953084.db2.gz MBYWLFOWKSGQMJ-NSHDSACASA-N -1 0 350.400 -0.702 20 0 FBADRM COC(=O)CNC(=O)CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000798134526 660953292 /nfs/dbraw/zinc/95/32/92/660953292.db2.gz CTTQWYGTOAYKCD-UHFFFAOYSA-N -1 0 350.356 -0.357 20 0 FBADRM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000798147676 660953287 /nfs/dbraw/zinc/95/32/87/660953287.db2.gz DJJRSIRQARTOAI-GHMZBOCLSA-N -1 0 368.463 -0.043 20 0 FBADRM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000798147677 660953340 /nfs/dbraw/zinc/95/33/40/660953340.db2.gz DJJRSIRQARTOAI-MNOVXSKESA-N -1 0 368.463 -0.043 20 0 FBADRM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000798147678 660953184 /nfs/dbraw/zinc/95/31/84/660953184.db2.gz DJJRSIRQARTOAI-QWRGUYRKSA-N -1 0 368.463 -0.043 20 0 FBADRM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000798147679 660953333 /nfs/dbraw/zinc/95/33/33/660953333.db2.gz DJJRSIRQARTOAI-WDEREUQCSA-N -1 0 368.463 -0.043 20 0 FBADRM CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)C1 ZINC000798148082 660953212 /nfs/dbraw/zinc/95/32/12/660953212.db2.gz LZHXLAMDDKKFOG-UHFFFAOYSA-N -1 0 352.395 -0.123 20 0 FBADRM CCOC(=O)N1CCC[C@@H](C(=O)N2CCC(O)(c3nnn[n-]3)CC2)C1 ZINC000798148149 660953231 /nfs/dbraw/zinc/95/32/31/660953231.db2.gz OVBQWYNCMXLXQJ-LLVKDONJSA-N -1 0 352.395 -0.122 20 0 FBADRM CCOC(=O)N1CCC[C@H](C(=O)N2CCC(O)(c3nnn[n-]3)CC2)C1 ZINC000798148150 660953256 /nfs/dbraw/zinc/95/32/56/660953256.db2.gz OVBQWYNCMXLXQJ-NSHDSACASA-N -1 0 352.395 -0.122 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000798199157 660953560 /nfs/dbraw/zinc/95/35/60/660953560.db2.gz BBQFVUQJZISTDL-JOAULVNJSA-N -1 0 350.418 -0.552 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000798199172 660953595 /nfs/dbraw/zinc/95/35/95/660953595.db2.gz BBQFVUQJZISTDL-SXMVTHIZSA-N -1 0 350.418 -0.552 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000798199174 660953628 /nfs/dbraw/zinc/95/36/28/660953628.db2.gz BBQFVUQJZISTDL-UBJUHAIHSA-N -1 0 350.418 -0.552 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000798199176 660953552 /nfs/dbraw/zinc/95/35/52/660953552.db2.gz BBQFVUQJZISTDL-YVZVNANGSA-N -1 0 350.418 -0.552 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccccc1SCC(N)=O ZINC000798199195 660953567 /nfs/dbraw/zinc/95/35/67/660953567.db2.gz BEMWGLXCUDBTIK-MRVPVSSYSA-N -1 0 360.413 -0.115 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccccc1SCC(N)=O ZINC000798199196 660953597 /nfs/dbraw/zinc/95/35/97/660953597.db2.gz BEMWGLXCUDBTIK-QMMMGPOBSA-N -1 0 360.413 -0.115 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000798199219 660953620 /nfs/dbraw/zinc/95/36/20/660953620.db2.gz BTKDGRZOYDAWSF-SECBINFHSA-N -1 0 363.413 -0.148 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000798199220 660953586 /nfs/dbraw/zinc/95/35/86/660953586.db2.gz BTKDGRZOYDAWSF-VIFPVBQESA-N -1 0 363.413 -0.148 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCc1c(C)nc2ncnn2c1C ZINC000798199327 660953588 /nfs/dbraw/zinc/95/35/88/660953588.db2.gz BYSDKNREOLTMIR-JTQLQIEISA-N -1 0 369.403 -0.319 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1c(C)nc2ncnn2c1C ZINC000798199328 660953604 /nfs/dbraw/zinc/95/36/04/660953604.db2.gz BYSDKNREOLTMIR-SNVBAGLBSA-N -1 0 369.403 -0.319 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C1CCN(c2cnccn2)CC1 ZINC000798199455 660953561 /nfs/dbraw/zinc/95/35/61/660953561.db2.gz DVECYVQHUJTESE-JTQLQIEISA-N -1 0 356.404 -0.300 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)C1CCN(c2cnccn2)CC1 ZINC000798199458 660953557 /nfs/dbraw/zinc/95/35/57/660953557.db2.gz DVECYVQHUJTESE-SNVBAGLBSA-N -1 0 356.404 -0.300 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)c(OC)c1 ZINC000798199733 660953600 /nfs/dbraw/zinc/95/36/00/660953600.db2.gz HDCNEUNISZSNRY-MRVPVSSYSA-N -1 0 374.371 -0.820 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)c(OC)c1 ZINC000798199735 660953545 /nfs/dbraw/zinc/95/35/45/660953545.db2.gz HDCNEUNISZSNRY-QMMMGPOBSA-N -1 0 374.371 -0.820 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCN1C(=O)COc2ccccc21 ZINC000798199975 660953562 /nfs/dbraw/zinc/95/35/62/660953562.db2.gz ISFNBHFSFZCLCP-JTQLQIEISA-N -1 0 370.383 -0.190 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCN1C(=O)COc2ccccc21 ZINC000798199976 660953594 /nfs/dbraw/zinc/95/35/94/660953594.db2.gz ISFNBHFSFZCLCP-SNVBAGLBSA-N -1 0 370.383 -0.190 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccccc1Cn1cncn1 ZINC000798200349 660953556 /nfs/dbraw/zinc/95/35/56/660953556.db2.gz LEPLETXRBTVQNQ-JTQLQIEISA-N -1 0 352.372 -0.053 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccccc1Cn1cncn1 ZINC000798200350 660953550 /nfs/dbraw/zinc/95/35/50/660953550.db2.gz LEPLETXRBTVQNQ-SNVBAGLBSA-N -1 0 352.372 -0.053 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(Cc2ccccc2)nn1 ZINC000798200574 660953584 /nfs/dbraw/zinc/95/35/84/660953584.db2.gz MGNGPQDKHYIODC-JTQLQIEISA-N -1 0 352.372 -0.053 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(Cc2ccccc2)nn1 ZINC000798200575 660953622 /nfs/dbraw/zinc/95/36/22/660953622.db2.gz MGNGPQDKHYIODC-SNVBAGLBSA-N -1 0 352.372 -0.053 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000798200661 660953598 /nfs/dbraw/zinc/95/35/98/660953598.db2.gz NHQVBHFIKVFDFK-SECBINFHSA-N -1 0 355.372 -0.163 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000798200662 660953613 /nfs/dbraw/zinc/95/36/13/660953613.db2.gz NHQVBHFIKVFDFK-VIFPVBQESA-N -1 0 355.372 -0.163 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCn1nnc2ccccc2c1=O ZINC000798200847 660953571 /nfs/dbraw/zinc/95/35/71/660953571.db2.gz PFIVGSYNCOJFCT-SECBINFHSA-N -1 0 368.371 -0.811 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCn1nnc2ccccc2c1=O ZINC000798200848 660953864 /nfs/dbraw/zinc/95/38/64/660953864.db2.gz PFIVGSYNCOJFCT-VIFPVBQESA-N -1 0 368.371 -0.811 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000798200861 660953838 /nfs/dbraw/zinc/95/38/38/660953838.db2.gz YFLXHIUDSKYPMU-SSDOTTSWSA-N -1 0 354.340 -0.467 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000798200868 660953818 /nfs/dbraw/zinc/95/38/18/660953818.db2.gz YFLXHIUDSKYPMU-ZETCQYMHSA-N -1 0 354.340 -0.467 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCn1cnc2ccccc2c1=O ZINC000798201005 660953785 /nfs/dbraw/zinc/95/37/85/660953785.db2.gz ZWTSNKJIAPWUFY-JTQLQIEISA-N -1 0 367.383 -0.206 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCn1cnc2ccccc2c1=O ZINC000798201006 660953829 /nfs/dbraw/zinc/95/38/29/660953829.db2.gz ZWTSNKJIAPWUFY-SNVBAGLBSA-N -1 0 367.383 -0.206 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000798201785 660953886 /nfs/dbraw/zinc/95/38/86/660953886.db2.gz YSOGAIWYKBRIPQ-NXEZZACHSA-N -1 0 358.372 -0.364 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000798201786 660953928 /nfs/dbraw/zinc/95/39/28/660953928.db2.gz YSOGAIWYKBRIPQ-UWVGGRQHSA-N -1 0 358.372 -0.364 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000798201787 660953831 /nfs/dbraw/zinc/95/38/31/660953831.db2.gz YSOGAIWYKBRIPQ-VHSXEESVSA-N -1 0 358.372 -0.364 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000798201788 660953878 /nfs/dbraw/zinc/95/38/78/660953878.db2.gz YSOGAIWYKBRIPQ-ZJUUUORDSA-N -1 0 358.372 -0.364 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000798201835 660953873 /nfs/dbraw/zinc/95/38/73/660953873.db2.gz ZPZXYAWJOUFYDL-SECBINFHSA-N -1 0 368.367 -0.320 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000798201836 660953918 /nfs/dbraw/zinc/95/39/18/660953918.db2.gz ZPZXYAWJOUFYDL-VIFPVBQESA-N -1 0 368.367 -0.320 20 0 FBADRM COC(=O)c1ccc(NS(=O)(=O)[N-]C(=O)CCc2nnc[nH]2)cc1 ZINC000798203748 660953851 /nfs/dbraw/zinc/95/38/51/660953851.db2.gz NGYWIDYEMJMARM-UHFFFAOYSA-N -1 0 353.360 -0.003 20 0 FBADRM Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)Cc2ccccn2)c(=O)n(C)c1=O ZINC000798205807 660953933 /nfs/dbraw/zinc/95/39/33/660953933.db2.gz DBJLDPNARUWSCN-SREVYHEPSA-N -1 0 364.383 -0.862 20 0 FBADRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)Cc2ccccn2)c(=O)n(C)c1=O ZINC000798205808 660953812 /nfs/dbraw/zinc/95/38/12/660953812.db2.gz DBJLDPNARUWSCN-VOTSOKGWSA-N -1 0 364.383 -0.862 20 0 FBADRM COC(=O)c1c(F)ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c1F ZINC000798222418 660953796 /nfs/dbraw/zinc/95/37/96/660953796.db2.gz QBMHECXWYNUZDA-UHFFFAOYSA-N -1 0 363.298 -0.051 20 0 FBADRM O=C(CNC(=O)NC1CCCCC1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000798269610 660954271 /nfs/dbraw/zinc/95/42/71/660954271.db2.gz GZJUQOLSLAUWLT-UHFFFAOYSA-N -1 0 351.411 -0.358 20 0 FBADRM CCCC(=O)N1CSC[C@H]1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000798269714 660954336 /nfs/dbraw/zinc/95/43/36/660954336.db2.gz IAJBGWCZOQWZEQ-JTQLQIEISA-N -1 0 354.436 -0.289 20 0 FBADRM CCCC(=O)N1CSC[C@@H]1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000798269716 660954438 /nfs/dbraw/zinc/95/44/38/660954438.db2.gz IAJBGWCZOQWZEQ-SNVBAGLBSA-N -1 0 354.436 -0.289 20 0 FBADRM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000798269943 660954300 /nfs/dbraw/zinc/95/43/00/660954300.db2.gz FQXYIQVEIYWGOX-JTQLQIEISA-N -1 0 368.463 -0.043 20 0 FBADRM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000798269945 660954430 /nfs/dbraw/zinc/95/44/30/660954430.db2.gz FQXYIQVEIYWGOX-SNVBAGLBSA-N -1 0 368.463 -0.043 20 0 FBADRM CCOC(=O)C(C)(C)C(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000798614765 660957221 /nfs/dbraw/zinc/95/72/21/660957221.db2.gz RGWHPXKHNXUSKI-UHFFFAOYSA-N -1 0 350.331 -0.227 20 0 FBADRM C[C@]1(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)CCC(=O)NC1 ZINC000798811620 660958383 /nfs/dbraw/zinc/95/83/83/660958383.db2.gz HZXRRHNPACWNJU-AWEZNQCLSA-N -1 0 364.387 -0.617 20 0 FBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)CCC(=O)NC1 ZINC000798811621 660958276 /nfs/dbraw/zinc/95/82/76/660958276.db2.gz HZXRRHNPACWNJU-CQSZACIVSA-N -1 0 364.387 -0.617 20 0 FBADRM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)c1cnnn1C ZINC000798812619 660958318 /nfs/dbraw/zinc/95/83/18/660958318.db2.gz VSRVSRSBSUJADD-UHFFFAOYSA-N -1 0 353.360 -0.099 20 0 FBADRM Cn1cc2c(n1)CCC[C@@H]2C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000798813615 660958554 /nfs/dbraw/zinc/95/85/54/660958554.db2.gz ASJVBMAHZOUAKU-JTQLQIEISA-N -1 0 365.415 -0.218 20 0 FBADRM Cn1cc2c(n1)CCC[C@H]2C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000798813616 660958530 /nfs/dbraw/zinc/95/85/30/660958530.db2.gz ASJVBMAHZOUAKU-SNVBAGLBSA-N -1 0 365.415 -0.218 20 0 FBADRM Cn1nncc1C(=O)[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O ZINC000798813844 660958593 /nfs/dbraw/zinc/95/85/93/660958593.db2.gz KPKKGMPSVHZTLR-UHFFFAOYSA-N -1 0 363.355 -0.829 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1)N(C)CC(F)(F)F ZINC000798813872 660958596 /nfs/dbraw/zinc/95/85/96/660958596.db2.gz LTLBKPKFWWJEQY-SSDOTTSWSA-N -1 0 370.353 -0.189 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1)N(C)CC(F)(F)F ZINC000798813874 660958538 /nfs/dbraw/zinc/95/85/38/660958538.db2.gz LTLBKPKFWWJEQY-ZETCQYMHSA-N -1 0 370.353 -0.189 20 0 FBADRM C[C@]1(C(=O)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)CCC(=O)NC1 ZINC000798818258 660958591 /nfs/dbraw/zinc/95/85/91/660958591.db2.gz OTIXENFAMPMTHM-AWEZNQCLSA-N -1 0 374.440 -0.189 20 0 FBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)CCC(=O)NC1 ZINC000798818259 660958507 /nfs/dbraw/zinc/95/85/07/660958507.db2.gz OTIXENFAMPMTHM-CQSZACIVSA-N -1 0 374.440 -0.189 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@H](OC)c2cnn(C)c2)CC1 ZINC000798818860 660958580 /nfs/dbraw/zinc/95/85/80/660958580.db2.gz ASFLPMNNGWQJGN-GFCCVEGCSA-N -1 0 374.419 -0.646 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@@H](OC)c2cnn(C)c2)CC1 ZINC000798818861 660958521 /nfs/dbraw/zinc/95/85/21/660958521.db2.gz ASFLPMNNGWQJGN-LBPRGKRZSA-N -1 0 374.419 -0.646 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCC(=O)NC2)CC1 ZINC000798819295 660958541 /nfs/dbraw/zinc/95/85/41/660958541.db2.gz RFAMDHJATKOLMB-AWEZNQCLSA-N -1 0 361.420 -0.851 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@]2(C)CCC(=O)NC2)CC1 ZINC000798819296 660958514 /nfs/dbraw/zinc/95/85/14/660958514.db2.gz RFAMDHJATKOLMB-CQSZACIVSA-N -1 0 361.420 -0.851 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2CC(F)F)c1Cl ZINC000798822065 660958528 /nfs/dbraw/zinc/95/85/28/660958528.db2.gz REOPYWKDDJILPZ-SSDOTTSWSA-N -1 0 372.781 -0.156 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2CC(F)F)c1Cl ZINC000798822066 660958553 /nfs/dbraw/zinc/95/85/53/660958553.db2.gz REOPYWKDDJILPZ-ZETCQYMHSA-N -1 0 372.781 -0.156 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)c2cnnn2C)s1 ZINC000798822612 660958585 /nfs/dbraw/zinc/95/85/85/660958585.db2.gz ZWCKBGSLNFKYCV-UHFFFAOYSA-N -1 0 357.417 -0.326 20 0 FBADRM Cn1nncc1C(=O)[N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZINC000798822944 660958569 /nfs/dbraw/zinc/95/85/69/660958569.db2.gz CUEZICNLGRLYQP-UHFFFAOYSA-N -1 0 364.431 -0.393 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@]1(C)CCC(=O)NC1 ZINC000798825577 660958490 /nfs/dbraw/zinc/95/84/90/660958490.db2.gz HRTGZIJRHYGHQQ-HZMBPMFUSA-N -1 0 361.420 -0.709 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@]1(C)CCC(=O)NC1 ZINC000798825578 660958597 /nfs/dbraw/zinc/95/85/97/660958597.db2.gz HRTGZIJRHYGHQQ-IINYFYTJSA-N -1 0 361.420 -0.709 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@]1(C)CCC(=O)NC1 ZINC000798825579 660958574 /nfs/dbraw/zinc/95/85/74/660958574.db2.gz HRTGZIJRHYGHQQ-QMTHXVAHSA-N -1 0 361.420 -0.709 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@]1(C)CCC(=O)NC1 ZINC000798825580 660958519 /nfs/dbraw/zinc/95/85/19/660958519.db2.gz HRTGZIJRHYGHQQ-YGRLFVJLSA-N -1 0 361.420 -0.709 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](OC)c1cnn(C)c1 ZINC000798825742 660958546 /nfs/dbraw/zinc/95/85/46/660958546.db2.gz KXYSGPMIKDLDNY-NEPJUHHUSA-N -1 0 374.419 -0.504 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](OC)c1cnn(C)c1 ZINC000798825748 660958543 /nfs/dbraw/zinc/95/85/43/660958543.db2.gz KXYSGPMIKDLDNY-NWDGAFQWSA-N -1 0 374.419 -0.504 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](OC)c1cnn(C)c1 ZINC000798825751 660958550 /nfs/dbraw/zinc/95/85/50/660958550.db2.gz KXYSGPMIKDLDNY-RYUDHWBXSA-N -1 0 374.419 -0.504 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](OC)c1cnn(C)c1 ZINC000798825752 660958524 /nfs/dbraw/zinc/95/85/24/660958524.db2.gz KXYSGPMIKDLDNY-VXGBXAGGSA-N -1 0 374.419 -0.504 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCC(=O)NC2)cc1C(N)=O ZINC000798829535 660958582 /nfs/dbraw/zinc/95/85/82/660958582.db2.gz HYZFYXSYCRXQEV-HNNXBMFYSA-N -1 0 353.400 -0.185 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCC(=O)NC2)cc1C(N)=O ZINC000798829536 660958601 /nfs/dbraw/zinc/95/86/01/660958601.db2.gz HYZFYXSYCRXQEV-OAHLLOKOSA-N -1 0 353.400 -0.185 20 0 FBADRM C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CCC(=O)NC1 ZINC000798830614 660958552 /nfs/dbraw/zinc/95/85/52/660958552.db2.gz YLGUZGTXOIQBMU-AWEZNQCLSA-N -1 0 374.440 -0.189 20 0 FBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CCC(=O)NC1 ZINC000798830615 660958603 /nfs/dbraw/zinc/95/86/03/660958603.db2.gz YLGUZGTXOIQBMU-CQSZACIVSA-N -1 0 374.440 -0.189 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)F ZINC000798830801 660958904 /nfs/dbraw/zinc/95/89/04/660958904.db2.gz VWRSOXRWLPNWAI-SECBINFHSA-N -1 0 358.363 -0.649 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)F ZINC000798830803 660958711 /nfs/dbraw/zinc/95/87/11/660958711.db2.gz VWRSOXRWLPNWAI-VIFPVBQESA-N -1 0 358.363 -0.649 20 0 FBADRM C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CCC(=O)NC1 ZINC000798831760 660958894 /nfs/dbraw/zinc/95/88/94/660958894.db2.gz PFXQJMMZTSPJJM-INIZCTEOSA-N -1 0 365.411 -0.306 20 0 FBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CCC(=O)NC1 ZINC000798831761 660958824 /nfs/dbraw/zinc/95/88/24/660958824.db2.gz PFXQJMMZTSPJJM-MRXNPFEDSA-N -1 0 365.411 -0.306 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2CC(F)F)cn1 ZINC000798838756 660958789 /nfs/dbraw/zinc/95/87/89/660958789.db2.gz RMZLAQSTQODPJB-JTQLQIEISA-N -1 0 352.363 -0.326 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2CC(F)F)cn1 ZINC000798838759 660958835 /nfs/dbraw/zinc/95/88/35/660958835.db2.gz RMZLAQSTQODPJB-SNVBAGLBSA-N -1 0 352.363 -0.326 20 0 FBADRM Cn1nncc1C(=O)[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000798841479 660958854 /nfs/dbraw/zinc/95/88/54/660958854.db2.gz KQVPFUJEIZVSKC-UHFFFAOYSA-N -1 0 371.762 -0.082 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H](C)N(C)CC(F)(F)F ZINC000798843345 660958815 /nfs/dbraw/zinc/95/88/15/660958815.db2.gz FUWROMFZJMIZEM-SECBINFHSA-N -1 0 350.359 -0.022 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H](C)N(C)CC(F)(F)F ZINC000798843350 660958911 /nfs/dbraw/zinc/95/89/11/660958911.db2.gz FUWROMFZJMIZEM-VIFPVBQESA-N -1 0 350.359 -0.022 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)F ZINC000798843438 660958900 /nfs/dbraw/zinc/95/89/00/660958900.db2.gz GZZGCTXBAULARS-JTQLQIEISA-N -1 0 360.379 -0.939 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)F ZINC000798843443 660958809 /nfs/dbraw/zinc/95/88/09/660958809.db2.gz GZZGCTXBAULARS-SNVBAGLBSA-N -1 0 360.379 -0.939 20 0 FBADRM Cn1nncc1C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000798843648 660958841 /nfs/dbraw/zinc/95/88/41/660958841.db2.gz KCQMJAZLTZLFEQ-SECBINFHSA-N -1 0 359.408 -0.116 20 0 FBADRM Cn1nncc1C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000798843654 660958774 /nfs/dbraw/zinc/95/87/74/660958774.db2.gz KCQMJAZLTZLFEQ-VIFPVBQESA-N -1 0 359.408 -0.116 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCC(=O)NC2)nc1 ZINC000798845976 660958838 /nfs/dbraw/zinc/95/88/38/660958838.db2.gz POBUCLYNSPIAOS-HNNXBMFYSA-N -1 0 369.399 -0.021 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCC(=O)NC2)nc1 ZINC000798845977 660958743 /nfs/dbraw/zinc/95/87/43/660958743.db2.gz POBUCLYNSPIAOS-OAHLLOKOSA-N -1 0 369.399 -0.021 20 0 FBADRM Cn1nncc1C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000798847196 660958865 /nfs/dbraw/zinc/95/88/65/660958865.db2.gz IEROFWMMSLICHP-UHFFFAOYSA-N -1 0 373.778 -0.549 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2CC(F)F)nc1C ZINC000798848409 660958796 /nfs/dbraw/zinc/95/87/96/660958796.db2.gz WCQYLMYRNQYTMD-JTQLQIEISA-N -1 0 366.390 -0.018 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2CC(F)F)nc1C ZINC000798848410 660958749 /nfs/dbraw/zinc/95/87/49/660958749.db2.gz WCQYLMYRNQYTMD-SNVBAGLBSA-N -1 0 366.390 -0.018 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCC(=O)NC2)cc1 ZINC000798848873 660958912 /nfs/dbraw/zinc/95/89/12/660958912.db2.gz IZGDUXAVCIOCBX-HNNXBMFYSA-N -1 0 353.400 -0.233 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCC(=O)NC2)cc1 ZINC000798848874 660958884 /nfs/dbraw/zinc/95/88/84/660958884.db2.gz IZGDUXAVCIOCBX-OAHLLOKOSA-N -1 0 353.400 -0.233 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H](OC)c2cnn(C)c2)cc1 ZINC000798849125 660958874 /nfs/dbraw/zinc/95/88/74/660958874.db2.gz SRNUMSUIRHLLEL-CYBMUJFWSA-N -1 0 366.399 -0.028 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H](OC)c2cnn(C)c2)cc1 ZINC000798849126 660958906 /nfs/dbraw/zinc/95/89/06/660958906.db2.gz SRNUMSUIRHLLEL-ZDUSSCGKSA-N -1 0 366.399 -0.028 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)C1(c2cncc(Br)c2)CC1 ZINC000798851368 660958860 /nfs/dbraw/zinc/95/88/60/660958860.db2.gz HZHIHXMLHYZYTC-UHFFFAOYSA-N -1 0 362.205 -0.193 20 0 FBADRM COc1ccc(C(=O)N2CCC[C@@H]2C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000798852271 660958849 /nfs/dbraw/zinc/95/88/49/660958849.db2.gz XDHZKZHMARJKET-GFCCVEGCSA-N -1 0 369.399 -0.769 20 0 FBADRM COc1ccc(C(=O)N2CCC[C@H]2C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000798852272 660958897 /nfs/dbraw/zinc/95/88/97/660958897.db2.gz XDHZKZHMARJKET-LBPRGKRZSA-N -1 0 369.399 -0.769 20 0 FBADRM COc1ccccc1-n1ncc(C(=O)[N-]S(=O)(=O)CC(N)=O)c1C ZINC000798852313 660958737 /nfs/dbraw/zinc/95/87/37/660958737.db2.gz YKICBQYINROFPX-UHFFFAOYSA-N -1 0 352.372 -0.266 20 0 FBADRM Cn1nncc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000798855479 660958881 /nfs/dbraw/zinc/95/88/81/660958881.db2.gz QWGQCBTWSIDQFR-UHFFFAOYSA-N -1 0 350.360 -0.876 20 0 FBADRM COc1cc(OC)c(S(=O)(=O)[N-]C(=O)c2cnnn2C)c(OC)c1 ZINC000798856835 660958781 /nfs/dbraw/zinc/95/87/81/660958781.db2.gz GCLYPCQWPOHOLO-UHFFFAOYSA-N -1 0 356.360 -0.040 20 0 FBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)CCC(=O)NC1 ZINC000798857275 660958830 /nfs/dbraw/zinc/95/88/30/660958830.db2.gz JDIZNURGQMEFHZ-GFCCVEGCSA-N -1 0 350.347 -0.131 20 0 FBADRM C[C@]1(C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)CCC(=O)NC1 ZINC000798857276 660958890 /nfs/dbraw/zinc/95/88/90/660958890.db2.gz JDIZNURGQMEFHZ-LBPRGKRZSA-N -1 0 350.347 -0.131 20 0 FBADRM COC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)c2cnnn2C)s1 ZINC000798859206 660958805 /nfs/dbraw/zinc/95/88/05/660958805.db2.gz DENMIXINUOWJMT-UHFFFAOYSA-N -1 0 373.416 -0.106 20 0 FBADRM O=C([N-]S(=O)(=O)c1ncccc1F)[C@H]1COCCN1CC(F)F ZINC000798859579 660958706 /nfs/dbraw/zinc/95/87/06/660958706.db2.gz GNCATBZKGNWNLK-SECBINFHSA-N -1 0 353.322 -0.009 20 0 FBADRM O=C([N-]S(=O)(=O)c1ncccc1F)[C@@H]1COCCN1CC(F)F ZINC000798859583 660959058 /nfs/dbraw/zinc/95/90/58/660959058.db2.gz GNCATBZKGNWNLK-VIFPVBQESA-N -1 0 353.322 -0.009 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2CC(F)F)cn1 ZINC000798861767 660959087 /nfs/dbraw/zinc/95/90/87/660959087.db2.gz OOLZUVNFUKQOKP-JTQLQIEISA-N -1 0 365.358 -0.139 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2CC(F)F)cn1 ZINC000798861768 660959111 /nfs/dbraw/zinc/95/91/11/660959111.db2.gz OOLZUVNFUKQOKP-SNVBAGLBSA-N -1 0 365.358 -0.139 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@@]2(C)CCC(=O)NC2)cc1 ZINC000798864778 660959093 /nfs/dbraw/zinc/95/90/93/660959093.db2.gz NLRBIZWWAGNGDX-INIZCTEOSA-N -1 0 367.427 -0.092 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@]2(C)CCC(=O)NC2)cc1 ZINC000798864871 660959061 /nfs/dbraw/zinc/95/90/61/660959061.db2.gz NLRBIZWWAGNGDX-MRXNPFEDSA-N -1 0 367.427 -0.092 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)Cc2ccccc2C)C(=O)C1=O ZINC000798897387 660959130 /nfs/dbraw/zinc/95/91/30/660959130.db2.gz WGSNTGWYAYCECP-UHFFFAOYSA-N -1 0 367.427 -0.368 20 0 FBADRM Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000798898599 660959137 /nfs/dbraw/zinc/95/91/37/660959137.db2.gz RQDDZDLHWHIBPG-UHFFFAOYSA-N -1 0 351.384 -0.348 20 0 FBADRM Cc1ccccc1CS(=O)(=O)[N-]C(=O)Cn1ccc(=O)n(C)c1=O ZINC000798899874 660959057 /nfs/dbraw/zinc/95/90/57/660959057.db2.gz HCXIYTUTQXOUGA-UHFFFAOYSA-N -1 0 351.384 -0.498 20 0 FBADRM Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000798901206 660959070 /nfs/dbraw/zinc/95/90/70/660959070.db2.gz PEUYQGRJYMKFRN-UHFFFAOYSA-N -1 0 365.415 -0.065 20 0 FBADRM COc1ccccc1CO[N-]C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000799091861 660960178 /nfs/dbraw/zinc/96/01/78/660960178.db2.gz UAFWMHGIXKHLFE-UHFFFAOYSA-N -1 0 354.388 -0.045 20 0 FBADRM COc1ccccc1CO[N-]C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000799093971 660960232 /nfs/dbraw/zinc/96/02/32/660960232.db2.gz GGJQIPDXDZLMSA-UHFFFAOYSA-N -1 0 357.432 -0.180 20 0 FBADRM COc1ccccc1CO[N-]C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000799097268 660960195 /nfs/dbraw/zinc/96/01/95/660960195.db2.gz BDWCOPOXKHJKQG-UHFFFAOYSA-N -1 0 354.388 -0.045 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc3nsnc32)n1 ZINC000799184436 660960768 /nfs/dbraw/zinc/96/07/68/660960768.db2.gz KWPQNZSZFNHOQU-UHFFFAOYSA-N -1 0 353.389 -0.170 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC000799245047 660960873 /nfs/dbraw/zinc/96/08/73/660960873.db2.gz TYPACGFWLCDHEG-UHFFFAOYSA-N -1 0 371.419 -0.481 20 0 FBADRM COCC[C@@H](NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000799252019 660961079 /nfs/dbraw/zinc/96/10/79/660961079.db2.gz CHIKSHAZXBVEBU-LLVKDONJSA-N -1 0 369.399 -0.327 20 0 FBADRM COCC[C@H](NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000799252020 660961131 /nfs/dbraw/zinc/96/11/31/660961131.db2.gz CHIKSHAZXBVEBU-NSHDSACASA-N -1 0 369.399 -0.327 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)OCc2nnn(C)n2)c1 ZINC000799484636 660961735 /nfs/dbraw/zinc/96/17/35/660961735.db2.gz HMGICNNNPCLEDU-UHFFFAOYSA-N -1 0 368.375 -0.103 20 0 FBADRM COc1cc(C(=O)OCc2nnn(C)n2)cc([N-]S(C)(=O)=O)c1OC ZINC000799493525 660962184 /nfs/dbraw/zinc/96/21/84/660962184.db2.gz FSPASLLZZQZGSJ-UHFFFAOYSA-N -1 0 371.375 -0.044 20 0 FBADRM C[C@@H](NC(=O)CCc1ccccc1)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000799612019 660962365 /nfs/dbraw/zinc/96/23/65/660962365.db2.gz DMUDNVPSIHNLQZ-CYBMUJFWSA-N -1 0 369.443 -0.183 20 0 FBADRM C[C@@H](NC(=O)CCc1ccccc1)C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000799625057 660962379 /nfs/dbraw/zinc/96/23/79/660962379.db2.gz CLHCNSGAXHNHQO-LLVKDONJSA-N -1 0 365.415 -0.243 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(Cl)c2)c(=O)n(C)c1=O ZINC000799648077 660962360 /nfs/dbraw/zinc/96/23/60/660962360.db2.gz QSRLPMOBZAPZAZ-UHFFFAOYSA-N -1 0 371.802 -0.003 20 0 FBADRM NC(=O)Cn1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(Cl)c2)nn1 ZINC000799648403 660962474 /nfs/dbraw/zinc/96/24/74/660962474.db2.gz VYPCUNUDEQIZGQ-UHFFFAOYSA-N -1 0 357.779 -0.323 20 0 FBADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)Cc2cccc(Cl)c2)c1=O ZINC000799650153 660962432 /nfs/dbraw/zinc/96/24/32/660962432.db2.gz WHZUIRHGGBAADM-UHFFFAOYSA-N -1 0 371.802 -0.153 20 0 FBADRM COCc1cccc(CS(=O)(=O)[N-]C(=O)CN2CCOCC2=O)c1 ZINC000799651733 660962478 /nfs/dbraw/zinc/96/24/78/660962478.db2.gz IYZYDIRWRRWNIK-UHFFFAOYSA-N -1 0 356.400 -0.362 20 0 FBADRM COCc1cccc(CS(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)c1 ZINC000799652964 660962527 /nfs/dbraw/zinc/96/25/27/660962527.db2.gz IZVGKVKSHMPGBA-UHFFFAOYSA-N -1 0 367.387 -0.830 20 0 FBADRM COCc1cccc(CS(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)c1 ZINC000799653296 660962341 /nfs/dbraw/zinc/96/23/41/660962341.db2.gz VOBSOVMMTSABMK-UHFFFAOYSA-N -1 0 354.388 -0.626 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1cccc(COC)c1 ZINC000799655638 660962448 /nfs/dbraw/zinc/96/24/48/660962448.db2.gz GPVCEZLSZNZYBD-UHFFFAOYSA-N -1 0 358.416 -0.116 20 0 FBADRM COCc1cccc(CS(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O)c1 ZINC000799656422 660962422 /nfs/dbraw/zinc/96/24/22/660962422.db2.gz WXXULVKENAQGRW-UHFFFAOYSA-N -1 0 364.445 -0.330 20 0 FBADRM COCc1cccc(CS(=O)(=O)[N-]C(=O)c2cn(C)c(=O)[nH]c2=O)c1 ZINC000799657442 660962330 /nfs/dbraw/zinc/96/23/30/660962330.db2.gz ZIJKFBYFZUWGLL-UHFFFAOYSA-N -1 0 367.383 -0.108 20 0 FBADRM O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1F)c1cc(=O)[nH][n-]1 ZINC000799851983 660963218 /nfs/dbraw/zinc/96/32/18/660963218.db2.gz PLMJCYZDPLZWHH-UHFFFAOYSA-N -1 0 362.770 -0.251 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)CC1 ZINC000800025210 601595767 /nfs/dbraw/zinc/59/57/67/601595767.db2.gz IBYGDWRUQFDENE-CYBMUJFWSA-N -1 0 350.393 -0.230 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000800025211 601595764 /nfs/dbraw/zinc/59/57/64/601595764.db2.gz IBYGDWRUQFDENE-ZDUSSCGKSA-N -1 0 350.393 -0.230 20 0 FBADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]C(=O)Cn1ncn(C)c1=O ZINC000800415314 662275466 /nfs/dbraw/zinc/27/54/66/662275466.db2.gz NJFVMKDKPWXOGA-UHFFFAOYSA-N -1 0 354.388 -0.288 20 0 FBADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]C(=O)c1cn(CC(N)=O)nn1 ZINC000800416008 662275575 /nfs/dbraw/zinc/27/55/75/662275575.db2.gz XYMBLBHQJVPEBI-UHFFFAOYSA-N -1 0 367.387 -0.492 20 0 FBADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]C(=O)CN1CCOCC1=O ZINC000800417329 662275516 /nfs/dbraw/zinc/27/55/16/662275516.db2.gz MOEKFWJEZXHMMI-UHFFFAOYSA-N -1 0 356.400 -0.024 20 0 FBADRM Cc1cc(C)cc(CS(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000800441672 662275544 /nfs/dbraw/zinc/27/55/44/662275544.db2.gz FROQNTYFZBSEGJ-UHFFFAOYSA-N -1 0 365.411 -0.039 20 0 FBADRM Cc1cc(C)cc(CS(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)c1 ZINC000800443054 662275424 /nfs/dbraw/zinc/27/54/24/662275424.db2.gz VEVLKKLTXXKLHX-UHFFFAOYSA-N -1 0 351.388 -0.360 20 0 FBADRM Cc1cc(C)cc(CS(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)c1 ZINC000800446060 662275550 /nfs/dbraw/zinc/27/55/50/662275550.db2.gz GQLQHOQIHFULNA-UHFFFAOYSA-N -1 0 365.411 -0.190 20 0 FBADRM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800548743 662276736 /nfs/dbraw/zinc/27/67/36/662276736.db2.gz BDFQQCDBWDQBKH-CYBMUJFWSA-N -1 0 370.431 -0.582 20 0 FBADRM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800548744 662276713 /nfs/dbraw/zinc/27/67/13/662276713.db2.gz BDFQQCDBWDQBKH-ZDUSSCGKSA-N -1 0 370.431 -0.582 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000800548754 662276743 /nfs/dbraw/zinc/27/67/43/662276743.db2.gz BUAKWFIVMDNICL-SSDOTTSWSA-N -1 0 359.326 -0.878 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000800548755 662276706 /nfs/dbraw/zinc/27/67/06/662276706.db2.gz BUAKWFIVMDNICL-ZETCQYMHSA-N -1 0 359.326 -0.878 20 0 FBADRM Cc1ccc(-c2nnn(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)n2)cc1 ZINC000800548756 662276674 /nfs/dbraw/zinc/27/66/74/662276674.db2.gz BVNLWFLUKSSABX-UHFFFAOYSA-N -1 0 366.403 -0.769 20 0 FBADRM Cn1cc(-c2nc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cs2)cn1 ZINC000800548768 662276727 /nfs/dbraw/zinc/27/67/27/662276727.db2.gz CIXCDTPXBAYPPH-UHFFFAOYSA-N -1 0 357.417 -0.261 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000800548793 662276686 /nfs/dbraw/zinc/27/66/86/662276686.db2.gz DXHJKBRUHJPJFS-LLVKDONJSA-N -1 0 359.448 -0.250 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000800548794 662276663 /nfs/dbraw/zinc/27/66/63/662276663.db2.gz DXHJKBRUHJPJFS-NSHDSACASA-N -1 0 359.448 -0.250 20 0 FBADRM CCCC[C@H](NC(=O)NCC)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800548842 662276749 /nfs/dbraw/zinc/27/67/49/662276749.db2.gz AIDCZSMYJWXNTQ-JTQLQIEISA-N -1 0 350.441 -0.554 20 0 FBADRM CCCC[C@@H](NC(=O)NCC)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800548845 662276754 /nfs/dbraw/zinc/27/67/54/662276754.db2.gz AIDCZSMYJWXNTQ-SNVBAGLBSA-N -1 0 350.441 -0.554 20 0 FBADRM CC(C)(C)C(=O)Nc1nccnc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800548946 662276724 /nfs/dbraw/zinc/27/67/24/662276724.db2.gz CIRYRJLWFCAMFG-UHFFFAOYSA-N -1 0 371.419 -0.343 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000800548985 662276664 /nfs/dbraw/zinc/27/66/64/662276664.db2.gz CTEDMGVWXVRUCA-UHFFFAOYSA-N -1 0 373.406 -0.142 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)COCCNC(=O)c1ccccc1 ZINC000800549010 662276740 /nfs/dbraw/zinc/27/67/40/662276740.db2.gz DBWMTRPHCOQNHF-UHFFFAOYSA-N -1 0 371.415 -0.985 20 0 FBADRM CN(C)c1ncnc2c1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)n2C ZINC000800549016 662276688 /nfs/dbraw/zinc/27/66/88/662276688.db2.gz DOXQMZGOYCLKIR-UHFFFAOYSA-N -1 0 368.419 -0.770 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cn1cnc2sccc2c1=O ZINC000800549071 662276666 /nfs/dbraw/zinc/27/66/66/662276666.db2.gz DTKMTWARRBAQDL-UHFFFAOYSA-N -1 0 358.401 -0.960 20 0 FBADRM COC(=O)COc1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000800549110 662276758 /nfs/dbraw/zinc/27/67/58/662276758.db2.gz IDDZXACSCJSUHK-UHFFFAOYSA-N -1 0 358.372 -0.566 20 0 FBADRM CC(=O)N[C@H](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1ccccc1 ZINC000800549129 662276695 /nfs/dbraw/zinc/27/66/95/662276695.db2.gz FVRFBZYRTOCUOB-CYBMUJFWSA-N -1 0 355.416 -0.164 20 0 FBADRM CC(=O)N[C@@H](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1ccccc1 ZINC000800549132 662276729 /nfs/dbraw/zinc/27/67/29/662276729.db2.gz FVRFBZYRTOCUOB-ZDUSSCGKSA-N -1 0 355.416 -0.164 20 0 FBADRM CC(C)(C)OC(=O)NCCOCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800549143 662276672 /nfs/dbraw/zinc/27/66/72/662276672.db2.gz GHTNSJXRMSUNMD-UHFFFAOYSA-N -1 0 367.424 -0.890 20 0 FBADRM CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800549165 662276660 /nfs/dbraw/zinc/27/66/60/662276660.db2.gz DEMMLYFJKZIPLU-VIFPVBQESA-N -1 0 351.425 -0.128 20 0 FBADRM Cc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)ccc1N1CCNC1=O ZINC000800549227 662276351 /nfs/dbraw/zinc/27/63/51/662276351.db2.gz IONAYINSFRQZSJ-UHFFFAOYSA-N -1 0 368.415 -0.280 20 0 FBADRM Cc1cc(F)cc(-n2cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nn2)c1 ZINC000800549233 662276367 /nfs/dbraw/zinc/27/63/67/662276367.db2.gz IQRKXWUCIHIGOW-UHFFFAOYSA-N -1 0 369.378 -0.089 20 0 FBADRM Cc1ccc(-n2cnnc2)c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000800549271 662276354 /nfs/dbraw/zinc/27/63/54/662276354.db2.gz GHQFWBAQNBKRKU-UHFFFAOYSA-N -1 0 351.388 -0.229 20 0 FBADRM Cc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c2c(=O)[nH]n(C)c2n1 ZINC000800549287 662276739 /nfs/dbraw/zinc/27/67/39/662276739.db2.gz GUWWGRJKHJECSE-UHFFFAOYSA-N -1 0 355.376 -0.822 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(F)ccc1N1CCOCC1 ZINC000800549292 662276702 /nfs/dbraw/zinc/27/67/02/662276702.db2.gz GVRQUBZMFXSNGD-UHFFFAOYSA-N -1 0 373.406 -0.142 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(N2CCC(O)CC2)cc1 ZINC000800549359 662276439 /nfs/dbraw/zinc/27/64/39/662276439.db2.gz KITMEYCEZHEQOA-UHFFFAOYSA-N -1 0 369.443 -0.157 20 0 FBADRM Cc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)ccc1-n1cnnn1 ZINC000800549378 662276430 /nfs/dbraw/zinc/27/64/30/662276430.db2.gz KKAPTXJKQKMLIL-UHFFFAOYSA-N -1 0 352.376 -0.834 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCCn1c2ccccc2oc1=O ZINC000800549398 662276356 /nfs/dbraw/zinc/27/63/56/662276356.db2.gz KQIMTXKUKDIUHN-UHFFFAOYSA-N -1 0 369.399 -0.043 20 0 FBADRM Cc1csc2ncc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(=O)n12 ZINC000800549407 662276368 /nfs/dbraw/zinc/27/63/68/662276368.db2.gz LAJZJGZTLHKOPK-UHFFFAOYSA-N -1 0 358.401 -0.740 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000800549481 662276481 /nfs/dbraw/zinc/27/64/81/662276481.db2.gz LRPLUXRPKGPHKV-LLVKDONJSA-N -1 0 353.400 -0.378 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000800549483 662276417 /nfs/dbraw/zinc/27/64/17/662276417.db2.gz LRPLUXRPKGPHKV-NSHDSACASA-N -1 0 353.400 -0.378 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000800549508 662276505 /nfs/dbraw/zinc/27/65/05/662276505.db2.gz MPAUPOFXRZZRPW-UHFFFAOYSA-N -1 0 353.400 -0.226 20 0 FBADRM Cc1cccn2c(=O)c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cnc12 ZINC000800549573 662276671 /nfs/dbraw/zinc/27/66/71/662276671.db2.gz KPNBUFSATYUGDL-UHFFFAOYSA-N -1 0 352.372 -0.801 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnnn1-c1cccc(F)c1 ZINC000800549710 662276909 /nfs/dbraw/zinc/27/69/09/662276909.db2.gz PWDYNVQUOJBAND-UHFFFAOYSA-N -1 0 355.351 -0.398 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(Cn2cncn2)cc1 ZINC000800549732 662276896 /nfs/dbraw/zinc/27/68/96/662276896.db2.gz NVRNWKPZTZIPMT-UHFFFAOYSA-N -1 0 351.388 -0.478 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C[C@@H](NC(N)=O)c1ccccc1 ZINC000800549738 662276886 /nfs/dbraw/zinc/27/68/86/662276886.db2.gz MLTVFUSFIWOYEF-LLVKDONJSA-N -1 0 356.404 -0.632 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C[C@H](NC(N)=O)c1ccccc1 ZINC000800549744 662276960 /nfs/dbraw/zinc/27/69/60/662276960.db2.gz MLTVFUSFIWOYEF-NSHDSACASA-N -1 0 356.404 -0.632 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccnc(N2CCCCC2)n1 ZINC000800549805 662276683 /nfs/dbraw/zinc/27/66/83/662276683.db2.gz OPLVXMRKKXIAQH-UHFFFAOYSA-N -1 0 355.420 -0.337 20 0 FBADRM Cc1nc2ccnn2c(C)c1CCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800549833 662276693 /nfs/dbraw/zinc/27/66/93/662276693.db2.gz OJMVZDCTHUCGJO-UHFFFAOYSA-N -1 0 367.431 -0.139 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000800549842 662276987 /nfs/dbraw/zinc/27/69/87/662276987.db2.gz ONLSSTRMZMQWSW-UHFFFAOYSA-N -1 0 368.371 -0.915 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000800549859 662276882 /nfs/dbraw/zinc/27/68/82/662276882.db2.gz OXRZKMMTDOIGFC-UHFFFAOYSA-N -1 0 369.399 -0.468 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cncc(N2CCOCC2)c1 ZINC000800549898 662276941 /nfs/dbraw/zinc/27/69/41/662276941.db2.gz QSXICEILXQCCNE-UHFFFAOYSA-N -1 0 356.404 -0.886 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1cc(F)cc2c1OCOC2 ZINC000800549909 662276963 /nfs/dbraw/zinc/27/69/63/662276963.db2.gz RIFSGBOGBCYVHP-UHFFFAOYSA-N -1 0 360.363 -0.183 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CSCC(=O)N1CCCCC1 ZINC000800550005 660113795 /nfs/dbraw/zinc/11/37/95/660113795.db2.gz BACYAJOECDQUNV-UHFFFAOYSA-N -1 0 365.477 -0.686 20 0 FBADRM COc1cc(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)cc(OC)c1O ZINC000800550017 662276704 /nfs/dbraw/zinc/27/67/04/662276704.db2.gz QHSCEIYFTCCPTI-UHFFFAOYSA-N -1 0 360.388 -0.466 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCCNC(=O)c1cccnc1 ZINC000800550023 662276745 /nfs/dbraw/zinc/27/67/45/662276745.db2.gz SPLPDCRZBCLJIZ-UHFFFAOYSA-N -1 0 356.404 -0.826 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCn1cc(Br)cn1 ZINC000800550104 662276709 /nfs/dbraw/zinc/27/67/09/662276709.db2.gz TXILNLJNPPWCLD-UHFFFAOYSA-N -1 0 367.225 -0.382 20 0 FBADRM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800550113 662276668 /nfs/dbraw/zinc/27/66/68/662276668.db2.gz REUUQIDKTVMIMX-UHFFFAOYSA-N -1 0 369.403 -0.824 20 0 FBADRM CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800550124 662276751 /nfs/dbraw/zinc/27/67/51/662276751.db2.gz CAGZXMVMGSALDC-NSHDSACASA-N -1 0 364.468 -0.309 20 0 FBADRM Cc1cccc(NC(=O)NCC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000800550242 662276711 /nfs/dbraw/zinc/27/67/11/662276711.db2.gz VLKXADXSIWWXJD-UHFFFAOYSA-N -1 0 356.404 -0.301 20 0 FBADRM Cc1cccc2c(=O)n(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)cnc12 ZINC000800550244 662276757 /nfs/dbraw/zinc/27/67/57/662276757.db2.gz CQKNAVWAQLLOIP-UHFFFAOYSA-N -1 0 366.399 -0.713 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccnc1N1CCOCC1 ZINC000800550266 662276730 /nfs/dbraw/zinc/27/67/30/662276730.db2.gz DEUGXAQPEBDLKH-UHFFFAOYSA-N -1 0 356.404 -0.886 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccn(-c2ccccc2)n1 ZINC000800550284 662276675 /nfs/dbraw/zinc/27/66/75/662276675.db2.gz USAKEEKWKZAYKJ-UHFFFAOYSA-N -1 0 350.400 -0.003 20 0 FBADRM Cc1cccc([C@@H](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)NC(N)=O)c1 ZINC000800550586 662276924 /nfs/dbraw/zinc/27/69/24/662276924.db2.gz ZAAJAFKLKBGIHB-GFCCVEGCSA-N -1 0 370.431 -0.323 20 0 FBADRM Cc1cccc([C@H](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)NC(N)=O)c1 ZINC000800550587 662276984 /nfs/dbraw/zinc/27/69/84/662276984.db2.gz ZAAJAFKLKBGIHB-LBPRGKRZSA-N -1 0 370.431 -0.323 20 0 FBADRM CC(C)(C)OC(=O)N(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)C1CC1 ZINC000800550678 662276912 /nfs/dbraw/zinc/27/69/12/662276912.db2.gz DWCSECJTLNOMBF-UHFFFAOYSA-N -1 0 363.436 -0.032 20 0 FBADRM Cn1nc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c2ccccc2c1=O ZINC000800550752 662277125 /nfs/dbraw/zinc/27/71/25/662277125.db2.gz GLMKDFGDTVHFLF-UHFFFAOYSA-N -1 0 352.372 -0.871 20 0 FBADRM C[C@@H](NC(=O)CCc1ccccc1)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800550795 662276908 /nfs/dbraw/zinc/27/69/08/662276908.db2.gz XATADMJHIXMMTH-GFCCVEGCSA-N -1 0 369.443 -0.294 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CNC(=O)c1ccc(F)cc1F ZINC000800550905 662276952 /nfs/dbraw/zinc/27/69/52/662276952.db2.gz IPAQRJYWGCUFDC-UHFFFAOYSA-N -1 0 363.342 -0.723 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CNC(=O)NCc1ccc(F)cc1 ZINC000800550931 662276891 /nfs/dbraw/zinc/27/68/91/662276891.db2.gz JPFXQLARXCNRED-UHFFFAOYSA-N -1 0 374.394 -0.793 20 0 FBADRM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800551047 662276974 /nfs/dbraw/zinc/27/69/74/662276974.db2.gz NUSRJRBEBQDCPY-SECBINFHSA-N -1 0 365.477 -0.484 20 0 FBADRM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800551048 662276904 /nfs/dbraw/zinc/27/69/04/662276904.db2.gz NUSRJRBEBQDCPY-VIFPVBQESA-N -1 0 365.477 -0.484 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C(=O)c1cnn(-c2ccccc2)c1 ZINC000800551091 662276979 /nfs/dbraw/zinc/27/69/79/662276979.db2.gz PHFHQZZDLXSXOM-UHFFFAOYSA-N -1 0 364.383 -0.363 20 0 FBADRM COC(=O)COc1cccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000800551101 662276947 /nfs/dbraw/zinc/27/69/47/662276947.db2.gz PQJNDNHKABGMQQ-UHFFFAOYSA-N -1 0 358.372 -0.566 20 0 FBADRM Cc1c(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)nnn1-c1ccccc1 ZINC000800551118 662276944 /nfs/dbraw/zinc/27/69/44/662276944.db2.gz QGOQEUMYPCOVLH-UHFFFAOYSA-N -1 0 365.415 -0.300 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCOc1ccc(C(N)=O)cc1 ZINC000800551196 662276976 /nfs/dbraw/zinc/27/69/76/662276976.db2.gz UXLNZEZZBXQZBZ-UHFFFAOYSA-N -1 0 357.388 -0.864 20 0 FBADRM COc1ccc(OC)c(NC(=O)C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000800551206 662276981 /nfs/dbraw/zinc/27/69/81/662276981.db2.gz VHNJPVMIDNSSHX-UHFFFAOYSA-N -1 0 373.387 -0.776 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000800551232 662276935 /nfs/dbraw/zinc/27/69/35/662276935.db2.gz WNINHMBBHVWNMY-LLVKDONJSA-N -1 0 368.415 -0.988 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000800551233 662276971 /nfs/dbraw/zinc/27/69/71/662276971.db2.gz WNINHMBBHVWNMY-NSHDSACASA-N -1 0 368.415 -0.988 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1csc(-c2ncccn2)n1 ZINC000800551268 662276995 /nfs/dbraw/zinc/27/69/95/662276995.db2.gz XXGUGWVQJBUSOE-UHFFFAOYSA-N -1 0 355.401 -0.204 20 0 FBADRM CCn1nc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(=O)c2ccccc21 ZINC000800551292 662276966 /nfs/dbraw/zinc/27/69/66/662276966.db2.gz YVBWSFNTLXLPBM-UHFFFAOYSA-N -1 0 366.399 -0.388 20 0 FBADRM Cc1n[nH]c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1Br ZINC000800551318 662277001 /nfs/dbraw/zinc/27/70/01/662277001.db2.gz ZVVFUPLUIJQBER-UHFFFAOYSA-N -1 0 353.198 -0.324 20 0 FBADRM CN(C)C(=O)Nc1cccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000800551328 662276876 /nfs/dbraw/zinc/27/68/76/662276876.db2.gz ADDQMXWJVMQGPN-UHFFFAOYSA-N -1 0 356.404 -0.024 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000800551335 662276934 /nfs/dbraw/zinc/27/69/34/662276934.db2.gz AJOMBDDBSJCYGV-UHFFFAOYSA-N -1 0 372.794 -0.489 20 0 FBADRM CN1C(=O)CCc2cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)ccc21 ZINC000800551338 662276915 /nfs/dbraw/zinc/27/69/15/662276915.db2.gz ALEOBANYKYUXSN-UHFFFAOYSA-N -1 0 353.400 -0.209 20 0 FBADRM CC(C)(C)OC(=O)NCC1(C(=O)NCCC(=O)[N-]S(C)(=O)=O)CC1 ZINC000800551355 662276869 /nfs/dbraw/zinc/27/68/69/662276869.db2.gz BBQHSHLGLXWLPR-UHFFFAOYSA-N -1 0 363.436 -0.127 20 0 FBADRM CC(C)(C)OC(=O)CSCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800551406 662276938 /nfs/dbraw/zinc/27/69/38/662276938.db2.gz DFYSHKLCPGTKBP-UHFFFAOYSA-N -1 0 354.450 -0.357 20 0 FBADRM CCn1cc(-c2n[nH]cc2C(=O)NCCC(=O)[N-]S(C)(=O)=O)cn1 ZINC000800551434 662276929 /nfs/dbraw/zinc/27/69/29/662276929.db2.gz FPMPQGGHUXPPAX-UHFFFAOYSA-N -1 0 354.392 -0.511 20 0 FBADRM Cn1cc(-c2cncc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c2)cn1 ZINC000800551526 662276991 /nfs/dbraw/zinc/27/69/91/662276991.db2.gz IXYGFKSQWIYVOD-UHFFFAOYSA-N -1 0 351.388 -0.322 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1[nH]cnc1C(=O)c1ccccc1 ZINC000800551534 662276921 /nfs/dbraw/zinc/27/69/21/662276921.db2.gz JDKVGAYVJQLUJN-UHFFFAOYSA-N -1 0 364.383 -0.164 20 0 FBADRM CN1C(=O)C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@H]1c1cccnc1 ZINC000800551543 662276918 /nfs/dbraw/zinc/27/69/18/662276918.db2.gz JMKMEULIJAPMFS-BXUZGUMPSA-N -1 0 368.415 -0.817 20 0 FBADRM CN1C(=O)C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@@H]1c1cccnc1 ZINC000800551544 662276926 /nfs/dbraw/zinc/27/69/26/662276926.db2.gz JMKMEULIJAPMFS-FZMZJTMJSA-N -1 0 368.415 -0.817 20 0 FBADRM CN1C(=O)C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@@H]1c1cccnc1 ZINC000800551545 662276969 /nfs/dbraw/zinc/27/69/69/662276969.db2.gz JMKMEULIJAPMFS-RISCZKNCSA-N -1 0 368.415 -0.817 20 0 FBADRM CN1C(=O)C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@H]1c1cccnc1 ZINC000800551546 662276950 /nfs/dbraw/zinc/27/69/50/662276950.db2.gz JMKMEULIJAPMFS-SMDDNHRTSA-N -1 0 368.415 -0.817 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(N2CCOC2=O)ccc1F ZINC000800551552 662277199 /nfs/dbraw/zinc/27/71/99/662277199.db2.gz JVKRAEYSUAWJLK-UHFFFAOYSA-N -1 0 373.362 -0.022 20 0 FBADRM COc1cccc(C2=NO[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C2)c1 ZINC000800551574 662277176 /nfs/dbraw/zinc/27/71/76/662277176.db2.gz KWVVLUJBMQQATG-CYBMUJFWSA-N -1 0 369.399 -0.230 20 0 FBADRM COc1cccc(C2=NO[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C2)c1 ZINC000800551575 662277266 /nfs/dbraw/zinc/27/72/66/662277266.db2.gz KWVVLUJBMQQATG-ZDUSSCGKSA-N -1 0 369.399 -0.230 20 0 FBADRM COc1c2cnn(C)c2ncc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800551580 662277108 /nfs/dbraw/zinc/27/71/08/662277108.db2.gz LBYYELXPLSTJKL-UHFFFAOYSA-N -1 0 355.376 -0.827 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000800551685 662277208 /nfs/dbraw/zinc/27/72/08/662277208.db2.gz PWTLGLAEDOEWET-JTQLQIEISA-N -1 0 371.390 -0.239 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000800551690 662277122 /nfs/dbraw/zinc/27/71/22/662277122.db2.gz PWTLGLAEDOEWET-SNVBAGLBSA-N -1 0 371.390 -0.239 20 0 FBADRM Cc1nc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nn1-c1ccccc1 ZINC000800551716 662277244 /nfs/dbraw/zinc/27/72/44/662277244.db2.gz QTHDRYRDVFUCBZ-UHFFFAOYSA-N -1 0 351.388 -0.229 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCOCC(F)(F)C(F)F ZINC000800551721 662277194 /nfs/dbraw/zinc/27/71/94/662277194.db2.gz AXXJDMNIBSWJNB-UHFFFAOYSA-N -1 0 352.306 -0.124 20 0 FBADRM CN(C)C(=O)COc1ccccc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800551807 662277217 /nfs/dbraw/zinc/27/72/17/662277217.db2.gz DCBUGYDVFDIMRG-UHFFFAOYSA-N -1 0 371.415 -0.651 20 0 FBADRM CCCCC(=O)N1CSC[C@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800551852 662277257 /nfs/dbraw/zinc/27/72/57/662277257.db2.gz DSFMKKKFWDRWNZ-JTQLQIEISA-N -1 0 365.477 -0.340 20 0 FBADRM CCCCC(=O)N1CSC[C@@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800551853 662277180 /nfs/dbraw/zinc/27/71/80/662277180.db2.gz DSFMKKKFWDRWNZ-SNVBAGLBSA-N -1 0 365.477 -0.340 20 0 FBADRM COc1cc(C=O)ccc1OCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800551886 662277142 /nfs/dbraw/zinc/27/71/42/662277142.db2.gz FEWKJROMHDMBEJ-UHFFFAOYSA-N -1 0 358.372 -0.531 20 0 FBADRM CC(=O)N1C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)Oc2ccccc21 ZINC000800551895 662277149 /nfs/dbraw/zinc/27/71/49/662277149.db2.gz VYHYOJKZAGPJJM-CYBMUJFWSA-N -1 0 369.399 -0.617 20 0 FBADRM CC(=O)N1C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)Oc2ccccc21 ZINC000800551896 662277204 /nfs/dbraw/zinc/27/72/04/662277204.db2.gz VYHYOJKZAGPJJM-ZDUSSCGKSA-N -1 0 369.399 -0.617 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCN1C(=O)CCc2ccccc21 ZINC000800551958 662277263 /nfs/dbraw/zinc/27/72/63/662277263.db2.gz XHFSWWXSEXWZDL-UHFFFAOYSA-N -1 0 367.427 -0.062 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800552023 662277117 /nfs/dbraw/zinc/27/71/17/662277117.db2.gz ILOCGTRKACMIKR-UHFFFAOYSA-N -1 0 362.429 -0.406 20 0 FBADRM Cc1nn(CC(F)F)c(C)c1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800552125 662277236 /nfs/dbraw/zinc/27/72/36/662277236.db2.gz KFGSJECJYLCYPI-UHFFFAOYSA-N -1 0 352.363 -0.039 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000800552131 662277213 /nfs/dbraw/zinc/27/72/13/662277213.db2.gz KJDGLDNQOHHFDU-UHFFFAOYSA-N -1 0 369.321 -0.551 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000800552184 662277240 /nfs/dbraw/zinc/27/72/40/662277240.db2.gz MJRLQDIVVJNXGB-UHFFFAOYSA-N -1 0 366.399 -0.678 20 0 FBADRM Cc1nn(C)c(-n2ccnc2C)c1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800552188 662277129 /nfs/dbraw/zinc/27/71/29/662277129.db2.gz MLIAVJIRSPJCLT-UHFFFAOYSA-N -1 0 368.419 -0.582 20 0 FBADRM CCN(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)C(=O)OC(C)(C)C ZINC000800552193 662277248 /nfs/dbraw/zinc/27/72/48/662277248.db2.gz MOSARJNQMSDYEG-UHFFFAOYSA-N -1 0 351.425 -0.175 20 0 FBADRM Cc1nc(-c2ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc2)n[nH]1 ZINC000800552365 662277121 /nfs/dbraw/zinc/27/71/21/662277121.db2.gz VJWHMNMTMNSLTF-UHFFFAOYSA-N -1 0 351.388 -0.024 20 0 FBADRM COC(=O)c1ccccc1CCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800552501 662277220 /nfs/dbraw/zinc/27/72/20/662277220.db2.gz BQOARUCQLFXOOI-UHFFFAOYSA-N -1 0 356.400 -0.012 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000800552662 662277260 /nfs/dbraw/zinc/27/72/60/662277260.db2.gz BSJWCDXEVFVFOR-UHFFFAOYSA-N -1 0 363.417 -0.746 20 0 FBADRM CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800552697 662277477 /nfs/dbraw/zinc/27/74/77/662277477.db2.gz DEMMLYFJKZIPLU-SECBINFHSA-N -1 0 351.425 -0.128 20 0 FBADRM COc1ccc(C(=O)NCC(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000800552746 662277489 /nfs/dbraw/zinc/27/74/89/662277489.db2.gz DXHQIINALVWEPJ-UHFFFAOYSA-N -1 0 357.388 -0.993 20 0 FBADRM CN1C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)c2ccccc2C1=O ZINC000800552869 662277632 /nfs/dbraw/zinc/27/76/32/662277632.db2.gz HUPNLYSJSZPLRF-GFCCVEGCSA-N -1 0 353.400 -0.562 20 0 FBADRM CN1C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)c2ccccc2C1=O ZINC000800552877 662277655 /nfs/dbraw/zinc/27/76/55/662277655.db2.gz HUPNLYSJSZPLRF-LBPRGKRZSA-N -1 0 353.400 -0.562 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(N2CCOCC2)nc1 ZINC000800552933 662277443 /nfs/dbraw/zinc/27/74/43/662277443.db2.gz IRQWRXJZTDSKHE-UHFFFAOYSA-N -1 0 356.404 -0.886 20 0 FBADRM CNC(=O)c1cccc(CCC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000800552955 662277496 /nfs/dbraw/zinc/27/74/96/662277496.db2.gz GHMCICQUHCKRFY-UHFFFAOYSA-N -1 0 355.416 -0.439 20 0 FBADRM CC(=O)N[C@@H](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1cccs1 ZINC000800553116 662277104 /nfs/dbraw/zinc/27/71/04/662277104.db2.gz ITFHWCGMSSNPOL-JTQLQIEISA-N -1 0 361.445 -0.103 20 0 FBADRM CC(=O)N[C@H](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1cccs1 ZINC000800553117 662277613 /nfs/dbraw/zinc/27/76/13/662277613.db2.gz ITFHWCGMSSNPOL-SNVBAGLBSA-N -1 0 361.445 -0.103 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CN1CCc2ccccc2C1=O ZINC000800553122 662277668 /nfs/dbraw/zinc/27/76/68/662277668.db2.gz IWZTXMRYPAKTFR-UHFFFAOYSA-N -1 0 353.400 -0.733 20 0 FBADRM CNC(=O)c1cccc(OCC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000800553169 662277273 /nfs/dbraw/zinc/27/72/73/662277273.db2.gz LJXLBODOIRQJIT-UHFFFAOYSA-N -1 0 357.388 -0.993 20 0 FBADRM COCCOc1cccc(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000800553323 662277161 /nfs/dbraw/zinc/27/71/61/662277161.db2.gz LRIMESKRCJVUFN-UHFFFAOYSA-N -1 0 358.416 -0.164 20 0 FBADRM Cc1oc(-c2cnn(C)c2)nc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800553379 662277259 /nfs/dbraw/zinc/27/72/59/662277259.db2.gz MDNSCWICEPGQHE-UHFFFAOYSA-N -1 0 355.376 -0.421 20 0 FBADRM C[C@@H](Sc1nnnn1C1CC1)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800553701 662277550 /nfs/dbraw/zinc/27/75/50/662277550.db2.gz RBDJMLZBHJKQKG-SSDOTTSWSA-N -1 0 362.437 -0.929 20 0 FBADRM C[C@H](Sc1nnnn1C1CC1)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800553702 662277647 /nfs/dbraw/zinc/27/76/47/662277647.db2.gz RBDJMLZBHJKQKG-ZETCQYMHSA-N -1 0 362.437 -0.929 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CN1c2ccccc2OCCC1=O ZINC000800553726 662277370 /nfs/dbraw/zinc/27/73/70/662277370.db2.gz RJISKIQKBPCUIE-UHFFFAOYSA-N -1 0 369.399 -0.616 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000800553755 662277482 /nfs/dbraw/zinc/27/74/82/662277482.db2.gz SEWKHEACKOPUEN-GHMZBOCLSA-N -1 0 373.431 -0.866 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000800553756 662277407 /nfs/dbraw/zinc/27/74/07/662277407.db2.gz SEWKHEACKOPUEN-PHIMTYICSA-N -1 0 373.431 -0.866 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000800553757 662277502 /nfs/dbraw/zinc/27/75/02/662277502.db2.gz SEWKHEACKOPUEN-QWRGUYRKSA-N -1 0 373.431 -0.866 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000800553875 662277365 /nfs/dbraw/zinc/27/73/65/662277365.db2.gz ULPWTXYTOAEYIK-UHFFFAOYSA-N -1 0 363.417 -0.746 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc[nH]c(=O)c1Br ZINC000800553911 662277403 /nfs/dbraw/zinc/27/74/03/662277403.db2.gz UANHZCGAQUDGEO-UHFFFAOYSA-N -1 0 366.193 -0.255 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccccc1N1CCOCC1 ZINC000800553920 662277471 /nfs/dbraw/zinc/27/74/71/662277471.db2.gz VDZIRVBZIOETTD-UHFFFAOYSA-N -1 0 355.416 -0.281 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1cnn(-c2ccccc2)n1 ZINC000800554050 662277426 /nfs/dbraw/zinc/27/74/26/662277426.db2.gz WNGYVDFGDLYQRS-UHFFFAOYSA-N -1 0 351.388 -0.608 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc(CN2CCOCC2)c1 ZINC000800554117 662277534 /nfs/dbraw/zinc/27/75/34/662277534.db2.gz XWOJRHOVEUSRRE-UHFFFAOYSA-N -1 0 369.443 -0.286 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C1(S(=O)(=O)c2ccccc2)CC1 ZINC000800554214 662277541 /nfs/dbraw/zinc/27/75/41/662277541.db2.gz YSJJAWXMGHFZIY-UHFFFAOYSA-N -1 0 374.440 -0.425 20 0 FBADRM Cc1ccc(C(=O)NCC(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1C ZINC000800554224 662277465 /nfs/dbraw/zinc/27/74/65/662277465.db2.gz YWPURQALYXRPMT-UHFFFAOYSA-N -1 0 355.416 -0.385 20 0 FBADRM C[C@H](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)NC(=O)c1ccccc1 ZINC000800554236 662277626 /nfs/dbraw/zinc/27/76/26/662277626.db2.gz ZCORBUDMAUFOPT-LLVKDONJSA-N -1 0 355.416 -0.223 20 0 FBADRM C[C@@H](CC(=O)NCCC(=O)[N-]S(C)(=O)=O)NC(=O)c1ccccc1 ZINC000800554238 662277581 /nfs/dbraw/zinc/27/75/81/662277581.db2.gz ZCORBUDMAUFOPT-NSHDSACASA-N -1 0 355.416 -0.223 20 0 FBADRM O=C(NCCS(=O)(=O)CCc1ccccc1)c1n[nH]c(=O)[n-]c1=O ZINC000800682775 662280148 /nfs/dbraw/zinc/28/01/48/662280148.db2.gz RSXLLOWIAKJXHX-UHFFFAOYSA-N -1 0 352.372 -0.330 20 0 FBADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000800831595 662284124 /nfs/dbraw/zinc/28/41/24/662284124.db2.gz WTEVPXJLUVUHKG-UHFFFAOYSA-N -1 0 360.775 -0.052 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-] ZINC000800922500 662287994 /nfs/dbraw/zinc/28/79/94/662287994.db2.gz PNUPLVYFGZZWCN-GFCCVEGCSA-N -1 0 365.429 -0.127 20 0 FBADRM O=C(NCc1nnn[n-]1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000801155575 662296748 /nfs/dbraw/zinc/29/67/48/662296748.db2.gz NXVQXHGNZKKYSQ-UHFFFAOYSA-N -1 0 370.366 -0.710 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N(CCO)CCN1CCOCC1 ZINC000801174205 662297187 /nfs/dbraw/zinc/29/71/87/662297187.db2.gz JFJAAAYKNQTXJV-UHFFFAOYSA-N -1 0 355.357 -0.403 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000801461786 662308511 /nfs/dbraw/zinc/30/85/11/662308511.db2.gz GXVKPYSNJIVOAB-HACHORDNSA-N -1 0 359.370 -0.114 20 0 FBADRM COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]N1CCCNC1=O ZINC000801695971 662312836 /nfs/dbraw/zinc/31/28/36/662312836.db2.gz TVJOQAGMKZUFJA-UHFFFAOYSA-N -1 0 363.417 -0.293 20 0 FBADRM CC(C)(C)OC(=O)c1cnc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cn1 ZINC000801962170 662315647 /nfs/dbraw/zinc/31/56/47/662315647.db2.gz XJIWTLXFAPPCJP-UHFFFAOYSA-N -1 0 372.403 -0.372 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)CCn2ccnn2)c1 ZINC000802048028 662316686 /nfs/dbraw/zinc/31/66/86/662316686.db2.gz KTBCYXBRKFTODA-UHFFFAOYSA-N -1 0 362.375 -0.636 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccnc3c2nnn3C)c1Cl ZINC000802059582 662316668 /nfs/dbraw/zinc/31/66/68/662316668.db2.gz KLNQDPAKHUQKGO-UHFFFAOYSA-N -1 0 355.767 -0.131 20 0 FBADRM Cn1nnc2c1nccc2C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1 ZINC000802080240 662317084 /nfs/dbraw/zinc/31/70/84/662317084.db2.gz ASLOJJFHJMQYGZ-UHFFFAOYSA-N -1 0 366.384 -0.358 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cncc(-n2ccnn2)c1 ZINC000802084710 662317056 /nfs/dbraw/zinc/31/70/56/662317056.db2.gz HCDDJJRWQRLJNP-UHFFFAOYSA-N -1 0 353.360 -0.325 20 0 FBADRM C[C@H](Sc1ccccc1C(=O)[N-]S(=O)(=O)N1CCOCC1)C(N)=O ZINC000802094800 662317094 /nfs/dbraw/zinc/31/70/94/662317094.db2.gz FMVWFPPQEMWCHI-JTQLQIEISA-N -1 0 373.456 -0.041 20 0 FBADRM C[C@@H](Sc1ccccc1C(=O)[N-]S(=O)(=O)N1CCOCC1)C(N)=O ZINC000802094801 662317040 /nfs/dbraw/zinc/31/70/40/662317040.db2.gz FMVWFPPQEMWCHI-SNVBAGLBSA-N -1 0 373.456 -0.041 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccccc1CN1CCOCC1 ZINC000802094831 662317117 /nfs/dbraw/zinc/31/71/17/662317117.db2.gz GFHCVPUYGAEISA-UHFFFAOYSA-N -1 0 369.443 -0.174 20 0 FBADRM Cc1nn(C)c(Br)c1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000802094833 662317037 /nfs/dbraw/zinc/31/70/37/662317037.db2.gz GKXSCANVJOINMF-UHFFFAOYSA-N -1 0 367.225 -0.202 20 0 FBADRM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cn1 ZINC000802095293 662317088 /nfs/dbraw/zinc/31/70/88/662317088.db2.gz XWFOMRVYNRDEMV-UHFFFAOYSA-N -1 0 372.403 -0.261 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC000802107722 662317047 /nfs/dbraw/zinc/31/70/47/662317047.db2.gz IIFGSKNPIBWQKA-UHFFFAOYSA-N -1 0 374.419 -0.015 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cncc(-n2ccnn2)c1 ZINC000802114339 662317285 /nfs/dbraw/zinc/31/72/85/662317285.db2.gz ATEZIAOQWPVFPI-UHFFFAOYSA-N -1 0 355.376 -0.615 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCn2ccnn2)nc1 ZINC000802122018 662317546 /nfs/dbraw/zinc/31/75/46/662317546.db2.gz YLVCZRGXZDPUPP-UHFFFAOYSA-N -1 0 353.360 -0.255 20 0 FBADRM COC(=O)c1cnc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC)cn1 ZINC000802152875 662317844 /nfs/dbraw/zinc/31/78/44/662317844.db2.gz DEPBWPVTJCMYAB-HTQZYQBOSA-N -1 0 359.360 -0.480 20 0 FBADRM COC(=O)c1cnc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC)cn1 ZINC000802152876 662317784 /nfs/dbraw/zinc/31/77/84/662317784.db2.gz DEPBWPVTJCMYAB-JGVFFNPUSA-N -1 0 359.360 -0.480 20 0 FBADRM COC(=O)c1cnc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC)cn1 ZINC000802152877 662317859 /nfs/dbraw/zinc/31/78/59/662317859.db2.gz DEPBWPVTJCMYAB-SFYZADRCSA-N -1 0 359.360 -0.480 20 0 FBADRM COC(=O)c1cnc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC)cn1 ZINC000802152878 662317803 /nfs/dbraw/zinc/31/78/03/662317803.db2.gz DEPBWPVTJCMYAB-YUMQZZPRSA-N -1 0 359.360 -0.480 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(CC2(C)COC2)nn1 ZINC000802152887 662317905 /nfs/dbraw/zinc/31/79/05/662317905.db2.gz DNHQLVCTBZMZSE-NXEZZACHSA-N -1 0 374.419 -0.428 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(CC2(C)COC2)nn1 ZINC000802152888 662317825 /nfs/dbraw/zinc/31/78/25/662317825.db2.gz DNHQLVCTBZMZSE-UWVGGRQHSA-N -1 0 374.419 -0.428 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(CC2(C)COC2)nn1 ZINC000802152889 662317922 /nfs/dbraw/zinc/31/79/22/662317922.db2.gz DNHQLVCTBZMZSE-VHSXEESVSA-N -1 0 374.419 -0.428 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(CC2(C)COC2)nn1 ZINC000802152890 662317919 /nfs/dbraw/zinc/31/79/19/662317919.db2.gz DNHQLVCTBZMZSE-ZJUUUORDSA-N -1 0 374.419 -0.428 20 0 FBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC)cn1 ZINC000802153904 662317927 /nfs/dbraw/zinc/31/79/27/662317927.db2.gz FEPFHQIKKSGMOQ-BDAKNGLRSA-N -1 0 357.388 -0.302 20 0 FBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC)cn1 ZINC000802153905 662317829 /nfs/dbraw/zinc/31/78/29/662317829.db2.gz FEPFHQIKKSGMOQ-DTWKUNHWSA-N -1 0 357.388 -0.302 20 0 FBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC)cn1 ZINC000802153906 662317773 /nfs/dbraw/zinc/31/77/73/662317773.db2.gz FEPFHQIKKSGMOQ-IUCAKERBSA-N -1 0 357.388 -0.302 20 0 FBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC)cn1 ZINC000802153907 662317885 /nfs/dbraw/zinc/31/78/85/662317885.db2.gz FEPFHQIKKSGMOQ-RKDXNWHRSA-N -1 0 357.388 -0.302 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC)ccc1=O ZINC000802153974 662317930 /nfs/dbraw/zinc/31/79/30/662317930.db2.gz NKERSYWYKHAYBF-GHMZBOCLSA-N -1 0 374.415 -0.248 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC)ccc1=O ZINC000802153975 662317806 /nfs/dbraw/zinc/31/78/06/662317806.db2.gz NKERSYWYKHAYBF-MNOVXSKESA-N -1 0 374.415 -0.248 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC)ccc1=O ZINC000802153976 662317737 /nfs/dbraw/zinc/31/77/37/662317737.db2.gz NKERSYWYKHAYBF-QWRGUYRKSA-N -1 0 374.415 -0.248 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC)ccc1=O ZINC000802153977 662317901 /nfs/dbraw/zinc/31/79/01/662317901.db2.gz NKERSYWYKHAYBF-WDEREUQCSA-N -1 0 374.415 -0.248 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000802154414 662317848 /nfs/dbraw/zinc/31/78/48/662317848.db2.gz HPHOCXCJFCVGJR-HTQZYQBOSA-N -1 0 356.360 -0.308 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000802154415 662317914 /nfs/dbraw/zinc/31/79/14/662317914.db2.gz HPHOCXCJFCVGJR-JGVFFNPUSA-N -1 0 356.360 -0.308 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000802154416 662317865 /nfs/dbraw/zinc/31/78/65/662317865.db2.gz HPHOCXCJFCVGJR-SFYZADRCSA-N -1 0 356.360 -0.308 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000802154417 662317780 /nfs/dbraw/zinc/31/77/80/662317780.db2.gz HPHOCXCJFCVGJR-YUMQZZPRSA-N -1 0 356.360 -0.308 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1 ZINC000802154493 662317820 /nfs/dbraw/zinc/31/78/20/662317820.db2.gz RKRYWHJWTSIFKR-NXEZZACHSA-N -1 0 367.387 -0.081 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1 ZINC000802154496 662317881 /nfs/dbraw/zinc/31/78/81/662317881.db2.gz RKRYWHJWTSIFKR-UWVGGRQHSA-N -1 0 367.387 -0.081 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1 ZINC000802154497 662317764 /nfs/dbraw/zinc/31/77/64/662317764.db2.gz RKRYWHJWTSIFKR-VHSXEESVSA-N -1 0 367.387 -0.081 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1 ZINC000802154498 662317942 /nfs/dbraw/zinc/31/79/42/662317942.db2.gz RKRYWHJWTSIFKR-ZJUUUORDSA-N -1 0 367.387 -0.081 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1c(C)nc(C)[nH]c1=O ZINC000802155563 662317809 /nfs/dbraw/zinc/31/78/09/662317809.db2.gz BBIWSPNGXWHDHI-APPZFPTMSA-N -1 0 359.404 -0.015 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1c(C)nc(C)[nH]c1=O ZINC000802155564 662317835 /nfs/dbraw/zinc/31/78/35/662317835.db2.gz BBIWSPNGXWHDHI-CBAPKCEASA-N -1 0 359.404 -0.015 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1c(C)nc(C)[nH]c1=O ZINC000802155565 662317924 /nfs/dbraw/zinc/31/79/24/662317924.db2.gz BBIWSPNGXWHDHI-IONNQARKSA-N -1 0 359.404 -0.015 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1c(C)nc(C)[nH]c1=O ZINC000802155566 662317892 /nfs/dbraw/zinc/31/78/92/662317892.db2.gz BBIWSPNGXWHDHI-VXNVDRBHSA-N -1 0 359.404 -0.015 20 0 FBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC)C(C)C ZINC000802156478 662317910 /nfs/dbraw/zinc/31/79/10/662317910.db2.gz GQRBZRHOFHOTJT-FOGDFJRCSA-N -1 0 366.436 -0.583 20 0 FBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC)C(C)C ZINC000802156479 662317752 /nfs/dbraw/zinc/31/77/52/662317752.db2.gz GQRBZRHOFHOTJT-NHCYSSNCSA-N -1 0 366.436 -0.583 20 0 FBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC)C(C)C ZINC000802156481 662317921 /nfs/dbraw/zinc/31/79/21/662317921.db2.gz GQRBZRHOFHOTJT-SCVCMEIPSA-N -1 0 366.436 -0.583 20 0 FBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC)C(C)C ZINC000802156482 662317855 /nfs/dbraw/zinc/31/78/55/662317855.db2.gz GQRBZRHOFHOTJT-UMNHJUIQSA-N -1 0 366.436 -0.583 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000802159386 662318208 /nfs/dbraw/zinc/31/82/08/662318208.db2.gz BVXGMPBZIBYOQV-BBBLOLIVSA-N -1 0 370.449 -0.946 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000802159387 662318090 /nfs/dbraw/zinc/31/80/90/662318090.db2.gz BVXGMPBZIBYOQV-KXUCPTDWSA-N -1 0 370.449 -0.946 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000802159388 662318246 /nfs/dbraw/zinc/31/82/46/662318246.db2.gz BVXGMPBZIBYOQV-OPRDCNLKSA-N -1 0 370.449 -0.946 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000802159389 662318129 /nfs/dbraw/zinc/31/81/29/662318129.db2.gz BVXGMPBZIBYOQV-UTLUCORTSA-N -1 0 370.449 -0.946 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)cc1 ZINC000802159567 662318261 /nfs/dbraw/zinc/31/82/61/662318261.db2.gz CZRKVHGSECGQIQ-NXEZZACHSA-N -1 0 372.399 -0.192 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)cc1 ZINC000802159577 662318214 /nfs/dbraw/zinc/31/82/14/662318214.db2.gz CZRKVHGSECGQIQ-UWVGGRQHSA-N -1 0 372.399 -0.192 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)cc1 ZINC000802159579 662318236 /nfs/dbraw/zinc/31/82/36/662318236.db2.gz CZRKVHGSECGQIQ-VHSXEESVSA-N -1 0 372.399 -0.192 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)cc1 ZINC000802159583 662318265 /nfs/dbraw/zinc/31/82/65/662318265.db2.gz CZRKVHGSECGQIQ-ZJUUUORDSA-N -1 0 372.399 -0.192 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCN1CCCS1(=O)=O ZINC000802159950 662317933 /nfs/dbraw/zinc/31/79/33/662317933.db2.gz FEDPIQUSMGKOGO-NXEZZACHSA-N -1 0 370.449 -0.944 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCN1CCCS1(=O)=O ZINC000802159954 662318239 /nfs/dbraw/zinc/31/82/39/662318239.db2.gz FEDPIQUSMGKOGO-UWVGGRQHSA-N -1 0 370.449 -0.944 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCN1CCCS1(=O)=O ZINC000802159958 662318112 /nfs/dbraw/zinc/31/81/12/662318112.db2.gz FEDPIQUSMGKOGO-VHSXEESVSA-N -1 0 370.449 -0.944 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCN1CCCS1(=O)=O ZINC000802159962 662318222 /nfs/dbraw/zinc/31/82/22/662318222.db2.gz FEDPIQUSMGKOGO-ZJUUUORDSA-N -1 0 370.449 -0.944 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000802160196 662318192 /nfs/dbraw/zinc/31/81/92/662318192.db2.gz VXFAEZWLUBTTFD-HTQZYQBOSA-N -1 0 368.371 -0.012 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000802160197 662318092 /nfs/dbraw/zinc/31/80/92/662318092.db2.gz VXFAEZWLUBTTFD-JGVFFNPUSA-N -1 0 368.371 -0.012 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000802160198 662318271 /nfs/dbraw/zinc/31/82/71/662318271.db2.gz VXFAEZWLUBTTFD-SFYZADRCSA-N -1 0 368.371 -0.012 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000802160199 662318118 /nfs/dbraw/zinc/31/81/18/662318118.db2.gz VXFAEZWLUBTTFD-YUMQZZPRSA-N -1 0 368.371 -0.012 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O ZINC000802160707 662318259 /nfs/dbraw/zinc/31/82/59/662318259.db2.gz ZYXKHWOSNNRBAB-NXEZZACHSA-N -1 0 362.404 -0.441 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O ZINC000802160712 662318160 /nfs/dbraw/zinc/31/81/60/662318160.db2.gz ZYXKHWOSNNRBAB-UWVGGRQHSA-N -1 0 362.404 -0.441 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O ZINC000802160714 662318286 /nfs/dbraw/zinc/31/82/86/662318286.db2.gz ZYXKHWOSNNRBAB-VHSXEESVSA-N -1 0 362.404 -0.441 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O ZINC000802160716 662318068 /nfs/dbraw/zinc/31/80/68/662318068.db2.gz ZYXKHWOSNNRBAB-ZJUUUORDSA-N -1 0 362.404 -0.441 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCCS1(=O)=O ZINC000802160892 662318227 /nfs/dbraw/zinc/31/82/27/662318227.db2.gz MFPDCMKNBJAXLU-BBBLOLIVSA-N -1 0 355.434 -0.403 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCCS1(=O)=O ZINC000802160893 662318076 /nfs/dbraw/zinc/31/80/76/662318076.db2.gz MFPDCMKNBJAXLU-KXUCPTDWSA-N -1 0 355.434 -0.403 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCCS1(=O)=O ZINC000802160894 662318098 /nfs/dbraw/zinc/31/80/98/662318098.db2.gz MFPDCMKNBJAXLU-OPRDCNLKSA-N -1 0 355.434 -0.403 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCCS1(=O)=O ZINC000802160895 662318166 /nfs/dbraw/zinc/31/81/66/662318166.db2.gz MFPDCMKNBJAXLU-UTLUCORTSA-N -1 0 355.434 -0.403 20 0 FBADRM COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1CC2COCC(C1)C2=O ZINC000802161934 662318196 /nfs/dbraw/zinc/31/81/96/662318196.db2.gz GEYPZCRYHCTROF-IACCCYARSA-N -1 0 361.416 -0.128 20 0 FBADRM COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1CC2COCC(C1)C2=O ZINC000802161940 662318275 /nfs/dbraw/zinc/31/82/75/662318275.db2.gz GEYPZCRYHCTROF-JQYRIEHKSA-N -1 0 361.416 -0.128 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000802161943 662318203 /nfs/dbraw/zinc/31/82/03/662318203.db2.gz GEYPZCRYHCTROF-QUDJTUOCSA-N -1 0 361.416 -0.128 20 0 FBADRM COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1CC2COCC(C1)C2=O ZINC000802161946 662318122 /nfs/dbraw/zinc/31/81/22/662318122.db2.gz GEYPZCRYHCTROF-RTWBTXMESA-N -1 0 361.416 -0.128 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@]12CCC(=O)N1CCS2 ZINC000802162059 662318184 /nfs/dbraw/zinc/31/81/84/662318184.db2.gz UZIKUYYFLPOGLQ-JRKPZEMJSA-N -1 0 364.445 -0.305 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@]12CCC(=O)N1CCS2 ZINC000802162061 662318171 /nfs/dbraw/zinc/31/81/71/662318171.db2.gz UZIKUYYFLPOGLQ-KKFJDGPESA-N -1 0 364.445 -0.305 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@]12CCC(=O)N1CCS2 ZINC000802162063 662318144 /nfs/dbraw/zinc/31/81/44/662318144.db2.gz UZIKUYYFLPOGLQ-VYUIOLGVSA-N -1 0 364.445 -0.305 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@]12CCC(=O)N1CCS2 ZINC000802162065 662318293 /nfs/dbraw/zinc/31/82/93/662318293.db2.gz UZIKUYYFLPOGLQ-ZDMBXUJBSA-N -1 0 364.445 -0.305 20 0 FBADRM COC(=O)CSCCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC ZINC000802162084 662318102 /nfs/dbraw/zinc/31/81/02/662318102.db2.gz HQKQICIKXMKYRH-BDAKNGLRSA-N -1 0 355.434 -0.074 20 0 FBADRM COC(=O)CSCCC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC ZINC000802162085 662318177 /nfs/dbraw/zinc/31/81/77/662318177.db2.gz HQKQICIKXMKYRH-DTWKUNHWSA-N -1 0 355.434 -0.074 20 0 FBADRM COC(=O)CSCCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC ZINC000802162086 662318230 /nfs/dbraw/zinc/31/82/30/662318230.db2.gz HQKQICIKXMKYRH-IUCAKERBSA-N -1 0 355.434 -0.074 20 0 FBADRM COC(=O)CSCCC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC ZINC000802162087 662318146 /nfs/dbraw/zinc/31/81/46/662318146.db2.gz HQKQICIKXMKYRH-RKDXNWHRSA-N -1 0 355.434 -0.074 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)F ZINC000802162694 662318251 /nfs/dbraw/zinc/31/82/51/662318251.db2.gz CCPCACOXMBYTPB-BBBLOLIVSA-N -1 0 372.390 -0.404 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)F ZINC000802162695 662318475 /nfs/dbraw/zinc/31/84/75/662318475.db2.gz CCPCACOXMBYTPB-KXUCPTDWSA-N -1 0 372.390 -0.404 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)F ZINC000802162696 662318428 /nfs/dbraw/zinc/31/84/28/662318428.db2.gz CCPCACOXMBYTPB-OPRDCNLKSA-N -1 0 372.390 -0.404 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)F ZINC000802162697 662318539 /nfs/dbraw/zinc/31/85/39/662318539.db2.gz CCPCACOXMBYTPB-UTLUCORTSA-N -1 0 372.390 -0.404 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccnc2c1nnn2C ZINC000802163119 662318136 /nfs/dbraw/zinc/31/81/36/662318136.db2.gz ZRBHFBPADSOYDB-HTQZYQBOSA-N -1 0 355.376 -0.380 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccnc2c1nnn2C ZINC000802163132 662318152 /nfs/dbraw/zinc/31/81/52/662318152.db2.gz ZRBHFBPADSOYDB-JGVFFNPUSA-N -1 0 355.376 -0.380 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccnc2c1nnn2C ZINC000802163134 662318290 /nfs/dbraw/zinc/31/82/90/662318290.db2.gz ZRBHFBPADSOYDB-SFYZADRCSA-N -1 0 355.376 -0.380 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccnc2c1nnn2C ZINC000802163136 662318083 /nfs/dbraw/zinc/31/80/83/662318083.db2.gz ZRBHFBPADSOYDB-YUMQZZPRSA-N -1 0 355.376 -0.380 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCC(=O)N1CCOCC1 ZINC000802163933 662318550 /nfs/dbraw/zinc/31/85/50/662318550.db2.gz TXBKHANCEGLMGB-GHMZBOCLSA-N -1 0 364.420 -0.731 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCC(=O)N1CCOCC1 ZINC000802163934 662318512 /nfs/dbraw/zinc/31/85/12/662318512.db2.gz TXBKHANCEGLMGB-MNOVXSKESA-N -1 0 364.420 -0.731 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCC(=O)N1CCOCC1 ZINC000802163935 662318463 /nfs/dbraw/zinc/31/84/63/662318463.db2.gz TXBKHANCEGLMGB-QWRGUYRKSA-N -1 0 364.420 -0.731 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCC(=O)N1CCOCC1 ZINC000802163936 662318500 /nfs/dbraw/zinc/31/85/00/662318500.db2.gz TXBKHANCEGLMGB-WDEREUQCSA-N -1 0 364.420 -0.731 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cncc(-n2ccnn2)c1 ZINC000802164970 662318494 /nfs/dbraw/zinc/31/84/94/662318494.db2.gz QRAFTXPMBOBTNL-NXEZZACHSA-N -1 0 367.387 -0.081 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000802165028 662318473 /nfs/dbraw/zinc/31/84/73/662318473.db2.gz CHXJIMOWOVLOBO-NXEZZACHSA-N -1 0 369.461 -0.155 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000802165032 662318445 /nfs/dbraw/zinc/31/84/45/662318445.db2.gz CHXJIMOWOVLOBO-UWVGGRQHSA-N -1 0 369.461 -0.155 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000802165033 662318534 /nfs/dbraw/zinc/31/85/34/662318534.db2.gz CHXJIMOWOVLOBO-VHSXEESVSA-N -1 0 369.461 -0.155 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000802165034 662318526 /nfs/dbraw/zinc/31/85/26/662318526.db2.gz CHXJIMOWOVLOBO-ZJUUUORDSA-N -1 0 369.461 -0.155 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cncc(-n2ccnn2)c1 ZINC000802165143 662318529 /nfs/dbraw/zinc/31/85/29/662318529.db2.gz QRAFTXPMBOBTNL-UWVGGRQHSA-N -1 0 367.387 -0.081 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cncc(-n2ccnn2)c1 ZINC000802165145 662318460 /nfs/dbraw/zinc/31/84/60/662318460.db2.gz QRAFTXPMBOBTNL-VHSXEESVSA-N -1 0 367.387 -0.081 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cncc(-n2ccnn2)c1 ZINC000802165146 662318490 /nfs/dbraw/zinc/31/84/90/662318490.db2.gz QRAFTXPMBOBTNL-ZJUUUORDSA-N -1 0 367.387 -0.081 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1sccc1-n1cnnn1 ZINC000802165445 662318561 /nfs/dbraw/zinc/31/85/61/662318561.db2.gz SXWBRMAAWWUHAO-HTQZYQBOSA-N -1 0 373.416 -0.019 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1sccc1-n1cnnn1 ZINC000802165452 662318508 /nfs/dbraw/zinc/31/85/08/662318508.db2.gz SXWBRMAAWWUHAO-JGVFFNPUSA-N -1 0 373.416 -0.019 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1sccc1-n1cnnn1 ZINC000802165453 662318466 /nfs/dbraw/zinc/31/84/66/662318466.db2.gz SXWBRMAAWWUHAO-SFYZADRCSA-N -1 0 373.416 -0.019 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1sccc1-n1cnnn1 ZINC000802165455 662318543 /nfs/dbraw/zinc/31/85/43/662318543.db2.gz SXWBRMAAWWUHAO-YUMQZZPRSA-N -1 0 373.416 -0.019 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccccc1OCC(N)=O ZINC000802165544 662318484 /nfs/dbraw/zinc/31/84/84/662318484.db2.gz FODZGBKBCXMHRZ-NXEZZACHSA-N -1 0 372.399 -0.192 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccccc1OCC(N)=O ZINC000802165546 662318521 /nfs/dbraw/zinc/31/85/21/662318521.db2.gz FODZGBKBCXMHRZ-UWVGGRQHSA-N -1 0 372.399 -0.192 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccccc1OCC(N)=O ZINC000802165547 662318455 /nfs/dbraw/zinc/31/84/55/662318455.db2.gz FODZGBKBCXMHRZ-VHSXEESVSA-N -1 0 372.399 -0.192 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccccc1OCC(N)=O ZINC000802165549 662318482 /nfs/dbraw/zinc/31/84/82/662318482.db2.gz FODZGBKBCXMHRZ-ZJUUUORDSA-N -1 0 372.399 -0.192 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccn2c(=O)[nH]nc12 ZINC000802165686 662318433 /nfs/dbraw/zinc/31/84/33/662318433.db2.gz FWGZLHVNPIGLMC-HTQZYQBOSA-N -1 0 356.360 -0.308 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccn2c(=O)[nH]nc12 ZINC000802165688 662318507 /nfs/dbraw/zinc/31/85/07/662318507.db2.gz FWGZLHVNPIGLMC-JGVFFNPUSA-N -1 0 356.360 -0.308 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccn2c(=O)[nH]nc12 ZINC000802165690 662318558 /nfs/dbraw/zinc/31/85/58/662318558.db2.gz FWGZLHVNPIGLMC-SFYZADRCSA-N -1 0 356.360 -0.308 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccn2c(=O)[nH]nc12 ZINC000802165692 662318457 /nfs/dbraw/zinc/31/84/57/662318457.db2.gz FWGZLHVNPIGLMC-YUMQZZPRSA-N -1 0 356.360 -0.308 20 0 FBADRM Cc1cc(=O)c(COC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)n[n-]1 ZINC000802171365 662318553 /nfs/dbraw/zinc/31/85/53/662318553.db2.gz VYXNPMSZEYSPFO-SECBINFHSA-N -1 0 355.376 -0.366 20 0 FBADRM Cc1cc(=O)c(COC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)n[n-]1 ZINC000802171366 662318514 /nfs/dbraw/zinc/31/85/14/662318514.db2.gz VYXNPMSZEYSPFO-VIFPVBQESA-N -1 0 355.376 -0.366 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)OCc2n[n-]c(C)cc2=O)cn1C ZINC000802172141 662318478 /nfs/dbraw/zinc/31/84/78/662318478.db2.gz GHPNDPDEMBJDOQ-UHFFFAOYSA-N -1 0 369.403 -0.056 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)CCn3ccnn3)cc2n(C)c1=O ZINC000802177390 662318502 /nfs/dbraw/zinc/31/85/02/662318502.db2.gz IARAMGUVEKQZCR-UHFFFAOYSA-N -1 0 364.387 -0.636 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)c2ccnc3c2nnn3C)c(C)nn1C ZINC000802189169 662318707 /nfs/dbraw/zinc/31/87/07/662318707.db2.gz SKKYCWUZSQGRBY-UHFFFAOYSA-N -1 0 365.375 -0.467 20 0 FBADRM Cn1nnc2c1nccc2C(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000802203575 662318718 /nfs/dbraw/zinc/31/87/18/662318718.db2.gz SLYMCLFDMNFNQL-UHFFFAOYSA-N -1 0 371.329 -0.056 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)c1ccc(-n2cnnn2)cc1 ZINC000802204554 662318789 /nfs/dbraw/zinc/31/87/89/662318789.db2.gz CBVVHDIZUKQTQW-UHFFFAOYSA-N -1 0 359.371 -0.076 20 0 FBADRM CC1(Cn2cc(C(=O)[N-]S(=O)(=O)c3cnc4n3CCC4)nn2)COC1 ZINC000802205423 662318759 /nfs/dbraw/zinc/31/87/59/662318759.db2.gz WGGANHNCOAPDPC-UHFFFAOYSA-N -1 0 366.403 -0.424 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)ccc1=O ZINC000802206123 662318847 /nfs/dbraw/zinc/31/88/47/662318847.db2.gz YDFNDLNEAQSOSA-UHFFFAOYSA-N -1 0 366.399 -0.244 20 0 FBADRM COC(=O)c1cnc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)cn1 ZINC000802206157 662318875 /nfs/dbraw/zinc/31/88/75/662318875.db2.gz ZLLWCUOLBBAKPK-UHFFFAOYSA-N -1 0 351.344 -0.475 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)c1cc2c(=O)[nH]cnc2cn1 ZINC000802206615 662318804 /nfs/dbraw/zinc/31/88/04/662318804.db2.gz HKWPQANKHBTLLU-UHFFFAOYSA-N -1 0 360.355 -0.008 20 0 FBADRM O=C(CSc1nnnn1C1CC1)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000802207204 662318795 /nfs/dbraw/zinc/31/87/95/662318795.db2.gz RINZIJTUBGTSLB-UHFFFAOYSA-N -1 0 369.432 -0.252 20 0 FBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2)C(C)C ZINC000802207520 662318688 /nfs/dbraw/zinc/31/86/88/662318688.db2.gz YNVQJCULBRZXOK-ZDUSSCGKSA-N -1 0 358.420 -0.579 20 0 FBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)CC1=O ZINC000802207827 662318830 /nfs/dbraw/zinc/31/88/30/662318830.db2.gz IDTQAAMJDUQKIY-JTQLQIEISA-N -1 0 356.404 -0.871 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)CC1=O ZINC000802207828 662318780 /nfs/dbraw/zinc/31/87/80/662318780.db2.gz IDTQAAMJDUQKIY-SNVBAGLBSA-N -1 0 356.404 -0.871 20 0 FBADRM NC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)cc1 ZINC000802208145 662318888 /nfs/dbraw/zinc/31/88/88/662318888.db2.gz ATBUOLRCNZKMPX-UHFFFAOYSA-N -1 0 364.383 -0.188 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000802208178 662318703 /nfs/dbraw/zinc/31/87/03/662318703.db2.gz BTWDIXOMIKHGAI-SECBINFHSA-N -1 0 362.433 -0.942 20 0 FBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000802208179 662318841 /nfs/dbraw/zinc/31/88/41/662318841.db2.gz BTWDIXOMIKHGAI-VIFPVBQESA-N -1 0 362.433 -0.942 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)[C@]12CCC(=O)N1CCS2 ZINC000802208404 662319121 /nfs/dbraw/zinc/31/91/21/662319121.db2.gz HEBQNRHZIVYTRN-CYBMUJFWSA-N -1 0 356.429 -0.300 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)[C@@]12CCC(=O)N1CCS2 ZINC000802208405 662319253 /nfs/dbraw/zinc/31/92/53/662319253.db2.gz HEBQNRHZIVYTRN-ZDUSSCGKSA-N -1 0 356.429 -0.300 20 0 FBADRM O=C(CCN1CCCS1(=O)=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000802208466 662319209 /nfs/dbraw/zinc/31/92/09/662319209.db2.gz JKZKFJPLKINFHV-UHFFFAOYSA-N -1 0 362.433 -0.940 20 0 FBADRM O=C(CCC(=O)N1CCOCC1)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000802209213 662319185 /nfs/dbraw/zinc/31/91/85/662319185.db2.gz PZKFHHWSUNALNB-UHFFFAOYSA-N -1 0 356.404 -0.727 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)c1sccc1-n1cnnn1 ZINC000802210020 662319205 /nfs/dbraw/zinc/31/92/05/662319205.db2.gz ZRBDUDKQWAQHEG-UHFFFAOYSA-N -1 0 365.400 -0.015 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccccc1CN1CCOCC1 ZINC000802210121 662319063 /nfs/dbraw/zinc/31/90/63/662319063.db2.gz BMFMMYGRNSYGGS-UHFFFAOYSA-N -1 0 365.415 -0.234 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)c1cncc(-n2ccnn2)c1 ZINC000802210225 662319169 /nfs/dbraw/zinc/31/91/69/662319169.db2.gz FMIAPAYEUFDBTM-UHFFFAOYSA-N -1 0 359.371 -0.076 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC000802210963 662319035 /nfs/dbraw/zinc/31/90/35/662319035.db2.gz SOSLJOVXBRWWCN-UHFFFAOYSA-N -1 0 368.375 -0.321 20 0 FBADRM NC(=O)COc1ccccc1C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000802211304 662319080 /nfs/dbraw/zinc/31/90/80/662319080.db2.gz XJPNIJXKPSFNDN-UHFFFAOYSA-N -1 0 364.383 -0.188 20 0 FBADRM C[C@@H](Sc1ccccc1C(=O)[N-]S(=O)(=O)c1cnnn1C)C(N)=O ZINC000802211305 662319270 /nfs/dbraw/zinc/31/92/70/662319270.db2.gz XKCLFJBMUPYTDU-MRVPVSSYSA-N -1 0 369.428 -0.100 20 0 FBADRM C[C@H](Sc1ccccc1C(=O)[N-]S(=O)(=O)c1cnnn1C)C(N)=O ZINC000802211306 662319198 /nfs/dbraw/zinc/31/91/98/662319198.db2.gz XKCLFJBMUPYTDU-QMMMGPOBSA-N -1 0 369.428 -0.100 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)CCn3ccnn3)cc2C1=O ZINC000802212192 662319227 /nfs/dbraw/zinc/31/92/27/662319227.db2.gz JORGQJRXZHEFNZ-UHFFFAOYSA-N -1 0 363.355 -0.601 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)CCn2ccnn2)cc1 ZINC000802249414 662319919 /nfs/dbraw/zinc/31/99/19/662319919.db2.gz HYUUYPDAROVKKH-UHFFFAOYSA-N -1 0 351.388 -0.326 20 0 FBADRM O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)c1cc(=O)[nH][n-]1 ZINC000802648586 662323741 /nfs/dbraw/zinc/32/37/41/662323741.db2.gz YAKIREHUIIFDJX-UHFFFAOYSA-N -1 0 362.770 -0.251 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)CC3OCCO3)cc2n(C)c1=O ZINC000802776806 662325722 /nfs/dbraw/zinc/32/57/22/662325722.db2.gz LNNDZGUZJMYIBV-UHFFFAOYSA-N -1 0 355.372 -0.555 20 0 FBADRM NC(=O)Cc1occc1C(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000802781503 662325823 /nfs/dbraw/zinc/32/58/23/662325823.db2.gz CIDRKKLEHPELPL-UHFFFAOYSA-N -1 0 362.314 -0.112 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccnc(NC(=O)C2CC2)c1 ZINC000802791121 662325565 /nfs/dbraw/zinc/32/55/65/662325565.db2.gz QRBXSPPDQAPISW-UHFFFAOYSA-N -1 0 350.360 -0.323 20 0 FBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)CCOCC1 ZINC000802791150 662325742 /nfs/dbraw/zinc/32/57/42/662325742.db2.gz QZQLMZUSMRIYBI-UHFFFAOYSA-N -1 0 371.415 -0.006 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)CC3OCCO3)cc2C1=O ZINC000802796627 662326103 /nfs/dbraw/zinc/32/61/03/662326103.db2.gz XMKVZBKVABVZJW-UHFFFAOYSA-N -1 0 354.340 -0.520 20 0 FBADRM CC(=O)NC[C@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)c3cc[nH]n3)c2C1 ZINC000802798211 662326070 /nfs/dbraw/zinc/32/60/70/662326070.db2.gz WCIWWZXBRIQLIC-JTQLQIEISA-N -1 0 366.403 -0.577 20 0 FBADRM CC(=O)NC[C@@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)c3cc[nH]n3)c2C1 ZINC000802798212 662326118 /nfs/dbraw/zinc/32/61/18/662326118.db2.gz WCIWWZXBRIQLIC-SNVBAGLBSA-N -1 0 366.403 -0.577 20 0 FBADRM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C(=O)CS(C)(=O)=O)c1F ZINC000802802939 662326090 /nfs/dbraw/zinc/32/60/90/662326090.db2.gz CDZWPRACHUCINL-UHFFFAOYSA-N -1 0 371.339 -0.399 20 0 FBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000802803803 662326065 /nfs/dbraw/zinc/32/60/65/662326065.db2.gz VDLCLYXMILVAFE-UHFFFAOYSA-N -1 0 366.298 -0.088 20 0 FBADRM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C(=O)c2cnnn2C)c1F ZINC000802804165 662326076 /nfs/dbraw/zinc/32/60/76/662326076.db2.gz YKKQUAKAYSBECP-UHFFFAOYSA-N -1 0 360.298 -0.001 20 0 FBADRM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C(=O)c2cnn(C)n2)c1F ZINC000802806103 662326528 /nfs/dbraw/zinc/32/65/28/662326528.db2.gz FJXWTVWLQBQNMU-UHFFFAOYSA-N -1 0 360.298 -0.001 20 0 FBADRM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C(=O)[C@H]2COCCO2)c1F ZINC000802806807 662326509 /nfs/dbraw/zinc/32/65/09/662326509.db2.gz RJDDEQNBMSFWLU-MRVPVSSYSA-N -1 0 365.310 -0.028 20 0 FBADRM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCO2)c1F ZINC000802806808 662326283 /nfs/dbraw/zinc/32/62/83/662326283.db2.gz RJDDEQNBMSFWLU-QMMMGPOBSA-N -1 0 365.310 -0.028 20 0 FBADRM NC(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2F)nn1 ZINC000802845335 662326804 /nfs/dbraw/zinc/32/68/04/662326804.db2.gz ZBOFOFIOCUMRRL-UHFFFAOYSA-N -1 0 361.742 -0.325 20 0 FBADRM Cc1ccsc1S(=O)(=O)[N-]C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000802865683 662327316 /nfs/dbraw/zinc/32/73/16/662327316.db2.gz ILNXDAINXYNJSE-UHFFFAOYSA-N -1 0 357.417 -0.145 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1sccc1C ZINC000802867262 662327306 /nfs/dbraw/zinc/32/73/06/662327306.db2.gz ZTSBAOOJGSRDLP-LLVKDONJSA-N -1 0 373.456 -0.011 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1sccc1C ZINC000802867264 662327172 /nfs/dbraw/zinc/32/71/72/662327172.db2.gz ZTSBAOOJGSRDLP-NSHDSACASA-N -1 0 373.456 -0.011 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2sccc2C)C(=O)C1=O ZINC000802868213 662327327 /nfs/dbraw/zinc/32/73/27/662327327.db2.gz GBLMMSBCISERHD-UHFFFAOYSA-N -1 0 359.429 -0.448 20 0 FBADRM Cc1ccsc1S(=O)(=O)[N-]C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000802870561 662327272 /nfs/dbraw/zinc/32/72/72/662327272.db2.gz VYUBQNSBITXJSX-PLNGDYQASA-N -1 0 369.424 -0.028 20 0 FBADRM Cc1ccsc1S(=O)(=O)[N-]C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000802870562 662327185 /nfs/dbraw/zinc/32/71/85/662327185.db2.gz VYUBQNSBITXJSX-SNAWJCMRSA-N -1 0 369.424 -0.028 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)c1cc(C)nn1C ZINC000802887333 662327783 /nfs/dbraw/zinc/32/77/83/662327783.db2.gz IPDAVZUHTFNAQY-UHFFFAOYSA-N -1 0 352.372 -0.045 20 0 FBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)ccc1OC ZINC000802887667 662327805 /nfs/dbraw/zinc/32/78/05/662327805.db2.gz HDROBHCDOFTWSD-UHFFFAOYSA-N -1 0 373.387 -0.265 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)c1cc(C)n(C)n1 ZINC000802887841 662327775 /nfs/dbraw/zinc/32/77/75/662327775.db2.gz SXVXKPUHPOBPAH-UHFFFAOYSA-N -1 0 352.372 -0.045 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)c1ccc(=O)n(C)c1 ZINC000802888023 662327749 /nfs/dbraw/zinc/32/77/49/662327749.db2.gz AJPHUSKDDXHKER-UHFFFAOYSA-N -1 0 365.367 -0.389 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)COC[C@H]1CCCO1 ZINC000802888153 662327746 /nfs/dbraw/zinc/32/77/46/662327746.db2.gz BYSBMAHCSIGEPH-LLVKDONJSA-N -1 0 372.399 -0.205 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)COC[C@@H]1CCCO1 ZINC000802888160 662327802 /nfs/dbraw/zinc/32/78/02/662327802.db2.gz BYSBMAHCSIGEPH-NSHDSACASA-N -1 0 372.399 -0.205 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)c1cccn(C)c1=O ZINC000802888197 662327788 /nfs/dbraw/zinc/32/77/88/662327788.db2.gz NFEKSSSHSQALRO-UHFFFAOYSA-N -1 0 365.367 -0.389 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)CCn1cccn1 ZINC000802888417 662327758 /nfs/dbraw/zinc/32/77/58/662327758.db2.gz HMRNBOQZUJNXBN-UHFFFAOYSA-N -1 0 352.372 -0.114 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C ZINC000802888581 662327808 /nfs/dbraw/zinc/32/78/08/662327808.db2.gz IRYKTCLNMCKPLU-UHFFFAOYSA-N -1 0 371.415 -0.239 20 0 FBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)ccc1OC ZINC000802888938 662327797 /nfs/dbraw/zinc/32/77/97/662327797.db2.gz LQBNIILQRJCSEL-UHFFFAOYSA-N -1 0 373.387 -0.265 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)ccc1OC ZINC000802889107 662327820 /nfs/dbraw/zinc/32/78/20/662327820.db2.gz OPJMPGMVHPJGTC-LLVKDONJSA-N -1 0 371.415 -0.680 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)ccc1OC ZINC000802889108 662327743 /nfs/dbraw/zinc/32/77/43/662327743.db2.gz OPJMPGMVHPJGTC-NSHDSACASA-N -1 0 371.415 -0.680 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)c1cnn(C)c1C ZINC000802889186 662327780 /nfs/dbraw/zinc/32/77/80/662327780.db2.gz PABYYXVENMMFLD-UHFFFAOYSA-N -1 0 352.372 -0.045 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)c1cnc(OC)nc1 ZINC000802889707 662327755 /nfs/dbraw/zinc/32/77/55/662327755.db2.gz WAHZMTBPMCUPAZ-UHFFFAOYSA-N -1 0 366.355 -0.289 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)COc1cc(C)on1 ZINC000802890126 662327767 /nfs/dbraw/zinc/32/77/67/662327767.db2.gz KZRYPPQBZOFMKF-UHFFFAOYSA-N -1 0 369.355 -0.026 20 0 FBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)ccc2OC)nn1 ZINC000802890270 662327751 /nfs/dbraw/zinc/32/77/51/662327751.db2.gz QGTXPQVZFIRBCA-UHFFFAOYSA-N -1 0 367.387 -0.086 20 0 FBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)ccc2OC)CC1 ZINC000802890337 662327829 /nfs/dbraw/zinc/32/78/29/662327829.db2.gz SLTHOVSLYBIIRI-UHFFFAOYSA-N -1 0 356.356 -0.448 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)ccc2OC)nn1C ZINC000802890880 662327725 /nfs/dbraw/zinc/32/77/25/662327725.db2.gz KOVKZGNECYJSOP-UHFFFAOYSA-N -1 0 368.371 -0.345 20 0 FBADRM COCCCOCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)ccc1OC ZINC000802891504 662327824 /nfs/dbraw/zinc/32/78/24/662327824.db2.gz DNIBKAURFLDYSS-UHFFFAOYSA-N -1 0 360.388 -0.348 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)c1cn(C)nc1C ZINC000802892295 662327813 /nfs/dbraw/zinc/32/78/13/662327813.db2.gz NQUNPNYNRGCASN-UHFFFAOYSA-N -1 0 352.372 -0.045 20 0 FBADRM COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)ccc1OC ZINC000802892355 662327761 /nfs/dbraw/zinc/32/77/61/662327761.db2.gz QBTAXHNPNRMMTK-MRVPVSSYSA-N -1 0 358.372 -0.202 20 0 FBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)ccc1OC ZINC000802892356 662327739 /nfs/dbraw/zinc/32/77/39/662327739.db2.gz QBTAXHNPNRMMTK-QMMMGPOBSA-N -1 0 358.372 -0.202 20 0 FBADRM COc1cncc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)ccc2OC)n1 ZINC000802892409 662327827 /nfs/dbraw/zinc/32/78/27/662327827.db2.gz NRNUCYFLEQLXAI-UHFFFAOYSA-N -1 0 366.355 -0.289 20 0 FBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)ccc1OC ZINC000802893099 662327764 /nfs/dbraw/zinc/32/77/64/662327764.db2.gz VQQRJWFWWWDBMD-UHFFFAOYSA-N -1 0 359.360 -0.703 20 0 FBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)ccc2OC)CC1 ZINC000802893124 662327811 /nfs/dbraw/zinc/32/78/11/662327811.db2.gz WCJCQVFMNJZCJB-UHFFFAOYSA-N -1 0 370.383 -0.058 20 0 FBADRM COCCOc1cccc(S(=O)(=O)[N-]C(=O)CS(C)(=O)=O)c1 ZINC000802893435 662327793 /nfs/dbraw/zinc/32/77/93/662327793.db2.gz IWIOPSPGSRKYAF-UHFFFAOYSA-N -1 0 351.402 -0.439 20 0 FBADRM COCCOc1cccc(S(=O)(=O)[N-]C(=O)C2CN(C(C)=O)C2)c1 ZINC000802893550 662327731 /nfs/dbraw/zinc/32/77/31/662327731.db2.gz NCXRLPFHWJWJLL-UHFFFAOYSA-N -1 0 356.400 -0.005 20 0 FBADRM COCCOc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C2=O)c1 ZINC000802894583 662328207 /nfs/dbraw/zinc/32/82/07/662328207.db2.gz CAIZKOWWZAJDOE-CYBMUJFWSA-N -1 0 356.400 -0.005 20 0 FBADRM COCCOc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C2=O)c1 ZINC000802894584 662328118 /nfs/dbraw/zinc/32/81/18/662328118.db2.gz CAIZKOWWZAJDOE-ZDUSSCGKSA-N -1 0 356.400 -0.005 20 0 FBADRM COCCOc1cccc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)COC)c1 ZINC000802894665 662328293 /nfs/dbraw/zinc/32/82/93/662328293.db2.gz FHLZGLCLXSRYIC-UHFFFAOYSA-N -1 0 374.415 -0.379 20 0 FBADRM COCCOc1cccc(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)c1 ZINC000802895527 662328276 /nfs/dbraw/zinc/32/82/76/662328276.db2.gz YXUWINCPBZUBII-UHFFFAOYSA-N -1 0 370.387 -0.888 20 0 FBADRM COCCOc1cccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2)c1 ZINC000802895635 662328127 /nfs/dbraw/zinc/32/81/27/662328127.db2.gz UPWDSIKKVVZFRA-UHFFFAOYSA-N -1 0 358.416 -0.151 20 0 FBADRM COCCOc1cccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)c1 ZINC000802897659 662328243 /nfs/dbraw/zinc/32/82/43/662328243.db2.gz MMSLLVUWBPMRBY-UHFFFAOYSA-N -1 0 372.399 -0.625 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)Cn2ccccc2=O)CC1 ZINC000802993639 662329299 /nfs/dbraw/zinc/32/92/99/662329299.db2.gz GMIQKSHGPYTEAK-UHFFFAOYSA-N -1 0 371.415 -0.085 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CNC(=O)OC)CC1 ZINC000802993839 662329318 /nfs/dbraw/zinc/32/93/18/662329318.db2.gz JIDUYBBCTHIDCM-UHFFFAOYSA-N -1 0 351.381 -0.591 20 0 FBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)C1CCN(C(=O)OCC)CC1 ZINC000802993868 662329347 /nfs/dbraw/zinc/32/93/47/662329347.db2.gz KBELWCVZEJQWFM-UHFFFAOYSA-N -1 0 363.436 -0.030 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)CC)CC1 ZINC000802994701 662329228 /nfs/dbraw/zinc/32/92/28/662329228.db2.gz BNXXVGBTRSXVFV-JTQLQIEISA-N -1 0 363.436 -0.032 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)CC)CC1 ZINC000802994702 662329272 /nfs/dbraw/zinc/32/92/72/662329272.db2.gz BNXXVGBTRSXVFV-SNVBAGLBSA-N -1 0 363.436 -0.032 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)C2CN(C(C)=O)C2)CC1 ZINC000802995013 662329219 /nfs/dbraw/zinc/32/92/19/662329219.db2.gz CAIMCHAHUTZBLD-UHFFFAOYSA-N -1 0 361.420 -0.468 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)N2C)CC1 ZINC000802995218 662329490 /nfs/dbraw/zinc/32/94/90/662329490.db2.gz FWMWOJPDDSYHLI-NSHDSACASA-N -1 0 361.420 -0.326 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CCNC(=O)OC)CC1 ZINC000802995629 662329493 /nfs/dbraw/zinc/32/94/93/662329493.db2.gz NGNXIWDFIQWCHW-UHFFFAOYSA-N -1 0 365.408 -0.201 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC000802995660 662329487 /nfs/dbraw/zinc/32/94/87/662329487.db2.gz OOQQHTLZIMVYAY-JTQLQIEISA-N -1 0 361.420 -0.421 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC000802995661 662329499 /nfs/dbraw/zinc/32/94/99/662329499.db2.gz OOQQHTLZIMVYAY-SNVBAGLBSA-N -1 0 361.420 -0.421 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)OC)CC1 ZINC000802995743 662329260 /nfs/dbraw/zinc/32/92/60/662329260.db2.gz YRMKEGBXRCSUTQ-VIFPVBQESA-N -1 0 365.408 -0.202 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CN2CCOCC2)CC1 ZINC000802996295 842126919 /nfs/dbraw/zinc/12/69/19/842126919.db2.gz JYLOWMNSIYEHCW-UHFFFAOYSA-N -1 0 363.436 -0.615 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CC2OCCO2)CC1 ZINC000802996298 842127202 /nfs/dbraw/zinc/12/72/02/842127202.db2.gz KBJUBZNDXRDYED-UHFFFAOYSA-N -1 0 350.393 -0.184 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000802996808 842127108 /nfs/dbraw/zinc/12/71/08/842127108.db2.gz FJLSHOIKWYXXCN-UHFFFAOYSA-N -1 0 372.403 -0.206 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C2=O)CC1 ZINC000802996968 662329480 /nfs/dbraw/zinc/32/94/80/662329480.db2.gz KIHFNLOAJIKMBV-LLVKDONJSA-N -1 0 361.420 -0.468 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C2=O)CC1 ZINC000802996969 662329496 /nfs/dbraw/zinc/32/94/96/662329496.db2.gz KIHFNLOAJIKMBV-NSHDSACASA-N -1 0 361.420 -0.468 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@H]2COCCO2)CC1 ZINC000802997845 842127119 /nfs/dbraw/zinc/12/71/19/842127119.db2.gz PSWYGJDBGGVMBN-LLVKDONJSA-N -1 0 350.393 -0.531 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@@H]2COCCO2)CC1 ZINC000802997846 842126882 /nfs/dbraw/zinc/12/68/82/842126882.db2.gz PSWYGJDBGGVMBN-NSHDSACASA-N -1 0 350.393 -0.531 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CN(C)C(=O)OC)CC1 ZINC000802997940 842126947 /nfs/dbraw/zinc/12/69/47/842126947.db2.gz UTXKKZXOFZREEQ-UHFFFAOYSA-N -1 0 365.408 -0.249 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2nnn(C)c2C)CC1 ZINC000802998454 842127034 /nfs/dbraw/zinc/12/70/34/842127034.db2.gz JMGFXNIRZZYEKR-UHFFFAOYSA-N -1 0 359.408 -0.196 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CCn2ccnn2)CC1 ZINC000802999060 842126863 /nfs/dbraw/zinc/12/68/63/842126863.db2.gz UUEWPZKFLWBWBE-UHFFFAOYSA-N -1 0 359.408 -0.265 20 0 FBADRM O=C(CCN1CCCS1(=O)=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000802999290 842127217 /nfs/dbraw/zinc/12/72/17/842127217.db2.gz YMNFNSIXOQQVMB-LLVKDONJSA-N -1 0 354.450 -0.715 20 0 FBADRM O=C(CCN1CCCS1(=O)=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000802999319 842126972 /nfs/dbraw/zinc/12/69/72/842126972.db2.gz YMNFNSIXOQQVMB-NSHDSACASA-N -1 0 354.450 -0.715 20 0 FBADRM O=C(CSc1nnnn1C1CC1)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000802999680 842127020 /nfs/dbraw/zinc/12/70/20/842127020.db2.gz FGEUTFRKBKKKSW-SECBINFHSA-N -1 0 361.449 -0.027 20 0 FBADRM O=C(CSc1nnnn1C1CC1)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000802999681 842127193 /nfs/dbraw/zinc/12/71/93/842127193.db2.gz FGEUTFRKBKKKSW-VIFPVBQESA-N -1 0 361.449 -0.027 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000803000622 842126845 /nfs/dbraw/zinc/12/68/45/842126845.db2.gz VKKLNBLERGEIRF-NEPJUHHUSA-N -1 0 368.477 -0.327 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000803000624 842128443 /nfs/dbraw/zinc/12/84/43/842128443.db2.gz VKKLNBLERGEIRF-NWDGAFQWSA-N -1 0 368.477 -0.327 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000803000626 842128213 /nfs/dbraw/zinc/12/82/13/842128213.db2.gz VKKLNBLERGEIRF-RYUDHWBXSA-N -1 0 368.477 -0.327 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000803000627 842127819 /nfs/dbraw/zinc/12/78/19/842127819.db2.gz VKKLNBLERGEIRF-VXGBXAGGSA-N -1 0 368.477 -0.327 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)C1=O ZINC000803002151 842128334 /nfs/dbraw/zinc/12/83/34/842128334.db2.gz AXHNIBRYCMRAMQ-BMIGLBTASA-N -1 0 373.431 -0.421 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)C1=O ZINC000803002152 842128507 /nfs/dbraw/zinc/12/85/07/842128507.db2.gz AXHNIBRYCMRAMQ-BONVTDFDSA-N -1 0 373.431 -0.421 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)C1=O ZINC000803002153 842127967 /nfs/dbraw/zinc/12/79/67/842127967.db2.gz AXHNIBRYCMRAMQ-MEBBXXQBSA-N -1 0 373.431 -0.421 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)C1=O ZINC000803002154 842127824 /nfs/dbraw/zinc/12/78/24/842127824.db2.gz AXHNIBRYCMRAMQ-ZUZCIYMTSA-N -1 0 373.431 -0.421 20 0 FBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1)C(C)C ZINC000803003281 842128241 /nfs/dbraw/zinc/12/82/41/842128241.db2.gz XCBSRZUAWUHGBJ-AAEUAGOBSA-N -1 0 350.437 -0.354 20 0 FBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1)C(C)C ZINC000803003282 842127756 /nfs/dbraw/zinc/12/77/56/842127756.db2.gz XCBSRZUAWUHGBJ-YPMHNXCESA-N -1 0 350.437 -0.354 20 0 FBADRM CC1(Cn2cc(C(=O)[N-]S(=O)(=O)C[C@@H]3CCCOC3)nn2)COC1 ZINC000803004263 662329720 /nfs/dbraw/zinc/32/97/20/662329720.db2.gz MUQUZEAJEIXTJN-LLVKDONJSA-N -1 0 358.420 -0.199 20 0 FBADRM CC1(Cn2cc(C(=O)[N-]S(=O)(=O)C[C@H]3CCCOC3)nn2)COC1 ZINC000803004264 662329750 /nfs/dbraw/zinc/32/97/50/662329750.db2.gz MUQUZEAJEIXTJN-NSHDSACASA-N -1 0 358.420 -0.199 20 0 FBADRM O=C(Cn1nnc2ccccc2c1=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000803004333 662329660 /nfs/dbraw/zinc/32/96/60/662329660.db2.gz NUHRBFCKSDJORC-LLVKDONJSA-N -1 0 366.399 -0.336 20 0 FBADRM O=C(Cn1nnc2ccccc2c1=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000803004335 662329737 /nfs/dbraw/zinc/32/97/37/662329737.db2.gz NUHRBFCKSDJORC-NSHDSACASA-N -1 0 366.399 -0.336 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000803005752 662329656 /nfs/dbraw/zinc/32/96/56/662329656.db2.gz XKRDWZADHXFNKJ-GHMZBOCLSA-N -1 0 354.450 -0.717 20 0 FBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000803005754 662329724 /nfs/dbraw/zinc/32/97/24/662329724.db2.gz XKRDWZADHXFNKJ-MNOVXSKESA-N -1 0 354.450 -0.717 20 0 FBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000803005756 662329692 /nfs/dbraw/zinc/32/96/92/662329692.db2.gz XKRDWZADHXFNKJ-QWRGUYRKSA-N -1 0 354.450 -0.717 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000803005778 662329770 /nfs/dbraw/zinc/32/97/70/662329770.db2.gz XKRDWZADHXFNKJ-WDEREUQCSA-N -1 0 354.450 -0.717 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000803007737 662329711 /nfs/dbraw/zinc/32/97/11/662329711.db2.gz DYDVHTBPISDJCZ-LLVKDONJSA-N -1 0 356.466 -0.469 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000803007738 662329670 /nfs/dbraw/zinc/32/96/70/662329670.db2.gz DYDVHTBPISDJCZ-NSHDSACASA-N -1 0 356.466 -0.469 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)ccc1=O ZINC000803008420 662329648 /nfs/dbraw/zinc/32/96/48/662329648.db2.gz UTZVJWGLMFFVDT-GFCCVEGCSA-N -1 0 358.416 -0.019 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)ccc1=O ZINC000803008421 662329728 /nfs/dbraw/zinc/32/97/28/662329728.db2.gz UTZVJWGLMFFVDT-LBPRGKRZSA-N -1 0 358.416 -0.019 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)[N-]C(=O)CCCN1C(=O)CNC1=O ZINC000803020648 662329733 /nfs/dbraw/zinc/32/97/33/662329733.db2.gz FTNWFFWZSKLADN-UHFFFAOYSA-N -1 0 374.444 -0.228 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)[N-]C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000803022432 662329802 /nfs/dbraw/zinc/32/98/02/662329802.db2.gz LHAJHXUJDSLTMW-UHFFFAOYSA-N -1 0 358.401 -0.447 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)[N-]C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000803023097 662329675 /nfs/dbraw/zinc/32/96/75/662329675.db2.gz KBBUOWKEVVEXOV-UHFFFAOYSA-N -1 0 372.428 -0.849 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)[N-]C(=O)Cn1ccc(=O)n(C)c1=O ZINC000803025950 662329775 /nfs/dbraw/zinc/32/97/75/662329775.db2.gz DWCHMPSCMZSIBA-UHFFFAOYSA-N -1 0 372.428 -0.999 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)[N-]C(=O)CCN1C(=O)CCC1=O ZINC000803026244 662330208 /nfs/dbraw/zinc/33/02/08/662330208.db2.gz IVQSOGWNALORSM-UHFFFAOYSA-N -1 0 359.429 -0.021 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O ZINC000803026821 662330135 /nfs/dbraw/zinc/33/01/35/662330135.db2.gz LASPZRJASUPNJQ-UHFFFAOYSA-N -1 0 355.463 -0.669 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)[N-]C(=O)CN1CCCS1(=O)=O ZINC000803027532 662330218 /nfs/dbraw/zinc/33/02/18/662330218.db2.gz ZFOVSIOOTZOSPE-UHFFFAOYSA-N -1 0 367.474 -0.524 20 0 FBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C)CCC1 ZINC000803032879 662330081 /nfs/dbraw/zinc/33/00/81/662330081.db2.gz BCEKUACKCRXCSW-UHFFFAOYSA-N -1 0 363.436 -0.127 20 0 FBADRM CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)CCCCNC(N)=O ZINC000803033107 662330090 /nfs/dbraw/zinc/33/00/90/662330090.db2.gz NAIQKFIRMIYBOI-UHFFFAOYSA-N -1 0 366.440 -0.204 20 0 FBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C ZINC000803033282 662330180 /nfs/dbraw/zinc/33/01/80/662330180.db2.gz BLRKOOZJDAGXCA-UHFFFAOYSA-N -1 0 351.425 -0.127 20 0 FBADRM CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)Cn1ccccc1=O ZINC000803033585 662330032 /nfs/dbraw/zinc/33/00/32/662330032.db2.gz YYLMCDGFPDWWKF-UHFFFAOYSA-N -1 0 359.404 -0.181 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C)C(=O)C1CC1 ZINC000803033883 662329993 /nfs/dbraw/zinc/32/99/93/662329993.db2.gz QRCPGNOZASXEKG-UHFFFAOYSA-N -1 0 363.436 -0.175 20 0 FBADRM Cn1cccc(C(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C)c1=O ZINC000803033933 662330210 /nfs/dbraw/zinc/33/02/10/662330210.db2.gz SQUDAQFVDWSHDJ-UHFFFAOYSA-N -1 0 359.404 -0.030 20 0 FBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C ZINC000803034327 662330200 /nfs/dbraw/zinc/33/02/00/662330200.db2.gz LAQXHBMHIXCWJG-QMMMGPOBSA-N -1 0 353.397 -0.298 20 0 FBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C)CC1 ZINC000803034415 662330000 /nfs/dbraw/zinc/33/00/00/662330000.db2.gz AVIPNJZRXXJHSN-UHFFFAOYSA-N -1 0 350.393 -0.090 20 0 FBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C ZINC000803034586 662330073 /nfs/dbraw/zinc/33/00/73/662330073.db2.gz POAOXNGLUBGOIM-SECBINFHSA-N -1 0 351.425 -0.128 20 0 FBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C ZINC000803034587 662330157 /nfs/dbraw/zinc/33/01/57/662330157.db2.gz POAOXNGLUBGOIM-VIFPVBQESA-N -1 0 351.425 -0.128 20 0 FBADRM CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)o1 ZINC000803034591 662330119 /nfs/dbraw/zinc/33/01/19/662330119.db2.gz DVXHGRDZICEXRI-UHFFFAOYSA-N -1 0 361.376 -0.037 20 0 FBADRM Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C ZINC000803034667 662330204 /nfs/dbraw/zinc/33/02/04/662330204.db2.gz GCZOOIIKWDJHGP-UHFFFAOYSA-N -1 0 374.419 -0.292 20 0 FBADRM CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)c1coc(C(N)=O)c1 ZINC000803035097 662330006 /nfs/dbraw/zinc/33/00/06/662330006.db2.gz PTLMTPGAFXQNBU-UHFFFAOYSA-N -1 0 361.376 -0.037 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C)CC1=O ZINC000803035150 662330624 /nfs/dbraw/zinc/33/06/24/662330624.db2.gz RFPIANOCUAZICV-JTQLQIEISA-N -1 0 363.436 -0.175 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C)CC1=O ZINC000803035151 662330747 /nfs/dbraw/zinc/33/07/47/662330747.db2.gz RFPIANOCUAZICV-SNVBAGLBSA-N -1 0 363.436 -0.175 20 0 FBADRM CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)CN1CCOCC1 ZINC000803035251 662330651 /nfs/dbraw/zinc/33/06/51/662330651.db2.gz WNIAURUQIIGGQK-UHFFFAOYSA-N -1 0 351.425 -0.711 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C)ccc1=O ZINC000803035349 662330511 /nfs/dbraw/zinc/33/05/11/662330511.db2.gz AUKXDQMXMOATGH-UHFFFAOYSA-N -1 0 359.404 -0.030 20 0 FBADRM CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)c1c[nH]c(C(N)=O)c1 ZINC000803035547 662330766 /nfs/dbraw/zinc/33/07/66/662330766.db2.gz AOVPTOGVYLYMAU-UHFFFAOYSA-N -1 0 360.392 -0.302 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C ZINC000803035552 662330214 /nfs/dbraw/zinc/33/02/14/662330214.db2.gz ASJAQHODHXQZEQ-UHFFFAOYSA-N -1 0 367.424 -0.938 20 0 FBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C ZINC000803035659 662330045 /nfs/dbraw/zinc/33/00/45/662330045.db2.gz JZRAVXGTCTYTPY-UHFFFAOYSA-N -1 0 353.397 -0.297 20 0 FBADRM CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)CCN1CCCC1=O ZINC000803035693 662330226 /nfs/dbraw/zinc/33/02/26/662330226.db2.gz LNYXBHRZNQSRIM-UHFFFAOYSA-N -1 0 363.436 -0.030 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C ZINC000803035881 662330196 /nfs/dbraw/zinc/33/01/96/662330196.db2.gz PKJXCPRXUUHRQQ-LLVKDONJSA-N -1 0 365.452 -0.322 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C ZINC000803035882 662330230 /nfs/dbraw/zinc/33/02/30/662330230.db2.gz PKJXCPRXUUHRQQ-NSHDSACASA-N -1 0 365.452 -0.322 20 0 FBADRM CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O ZINC000803036118 662330619 /nfs/dbraw/zinc/33/06/19/662330619.db2.gz VQQWSTAAHUZTLG-UHFFFAOYSA-N -1 0 372.465 -0.218 20 0 FBADRM CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)[C@@]1(C)CCC(=O)NC1 ZINC000803036858 662330782 /nfs/dbraw/zinc/33/07/82/662330782.db2.gz HSZKTTREKKJGQZ-AWEZNQCLSA-N -1 0 363.436 -0.127 20 0 FBADRM CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)[C@]1(C)CCC(=O)NC1 ZINC000803036859 662330566 /nfs/dbraw/zinc/33/05/66/662330566.db2.gz HSZKTTREKKJGQZ-CQSZACIVSA-N -1 0 363.436 -0.127 20 0 FBADRM CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)c1cnc2n[nH]nc2c1 ZINC000803037313 662330726 /nfs/dbraw/zinc/33/07/26/662330726.db2.gz YTFFXWVCTQPVIT-UHFFFAOYSA-N -1 0 370.391 -0.063 20 0 FBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C ZINC000803038078 662330679 /nfs/dbraw/zinc/33/06/79/662330679.db2.gz MNNAWMXULVCOOI-UHFFFAOYSA-N -1 0 353.397 -0.345 20 0 FBADRM NC(=O)Cn1cc(C(=O)[N-]S(=O)(=O)CCc2cccc(Cl)c2)nn1 ZINC000803052830 662330570 /nfs/dbraw/zinc/33/05/70/662330570.db2.gz HAJHYHQRZWLVAK-UHFFFAOYSA-N -1 0 371.806 -0.281 20 0 FBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)CCc2cccc(Cl)c2)c1=O ZINC000803056042 662330662 /nfs/dbraw/zinc/33/06/62/662330662.db2.gz YARYFKZRSDRQHS-UHFFFAOYSA-N -1 0 358.807 -0.076 20 0 FBADRM CC(C)(C)OC(=O)N1CCC(C(=O)[N-]OCCO)(S(C)(=O)=O)CC1 ZINC000803119846 662337689 /nfs/dbraw/zinc/33/76/89/662337689.db2.gz INGKSIVQWIBBBB-UHFFFAOYSA-N -1 0 366.436 -0.159 20 0 FBADRM CCn1c(=O)c2ccc(C(=O)N3CC[C@@](O)(C(N)=O)C3)cc2[n-]c1=S ZINC000803163498 662340520 /nfs/dbraw/zinc/34/05/20/662340520.db2.gz BNAZFJJAZJPQLR-INIZCTEOSA-N -1 0 362.411 -0.233 20 0 FBADRM CCn1c(=O)c2ccc(C(=O)N3CC[C@](O)(C(N)=O)C3)cc2[n-]c1=S ZINC000803163502 662340577 /nfs/dbraw/zinc/34/05/77/662340577.db2.gz BNAZFJJAZJPQLR-MRXNPFEDSA-N -1 0 362.411 -0.233 20 0 FBADRM O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)[N-]OC[C@H]1CCOC1 ZINC000803170817 662340515 /nfs/dbraw/zinc/34/05/15/662340515.db2.gz CWRTYVOKWXNTTD-JTQLQIEISA-N -1 0 354.388 -0.075 20 0 FBADRM O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)[N-]OC[C@@H]1CCOC1 ZINC000803170818 662340475 /nfs/dbraw/zinc/34/04/75/662340475.db2.gz CWRTYVOKWXNTTD-SNVBAGLBSA-N -1 0 354.388 -0.075 20 0 FBADRM CN(CCC(=O)NCCC(=O)[N-]S(C)(=O)=O)C(=O)OC(C)(C)C ZINC000803181243 662340994 /nfs/dbraw/zinc/34/09/94/662340994.db2.gz GWTHWHOPLSTARM-UHFFFAOYSA-N -1 0 351.425 -0.175 20 0 FBADRM C[C@H](CNC(=O)OC(C)(C)C)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000803181593 662341050 /nfs/dbraw/zinc/34/10/50/662341050.db2.gz KWXIXRWOPACCMT-SECBINFHSA-N -1 0 351.425 -0.271 20 0 FBADRM C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000803181594 662340986 /nfs/dbraw/zinc/34/09/86/662340986.db2.gz KWXIXRWOPACCMT-VIFPVBQESA-N -1 0 351.425 -0.271 20 0 FBADRM COc1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1OCCO ZINC000803181842 662341228 /nfs/dbraw/zinc/34/12/28/662341228.db2.gz PSJGNMFMVDLXLP-UHFFFAOYSA-N -1 0 360.388 -0.738 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000803182257 662341014 /nfs/dbraw/zinc/34/10/14/662341014.db2.gz XWGDZTHFGLHRJA-UHFFFAOYSA-N -1 0 366.392 -0.575 20 0 FBADRM CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC000803539380 662347954 /nfs/dbraw/zinc/34/79/54/662347954.db2.gz FBSSTWUEVKKWJE-UHFFFAOYSA-N -1 0 350.400 -0.303 20 0 FBADRM CCOC(=O)c1[nH]c(=O)n(-c2nn(CCS(=O)(=O)CC)cc2C)c1[O-] ZINC000804251918 660971324 /nfs/dbraw/zinc/97/13/24/660971324.db2.gz PGECXJKMCSQZKT-JTQLQIEISA-N -1 0 372.403 -0.386 20 0 FBADRM CCOC(=O)c1[nH]c(=O)n(-c2nn(CCS(=O)(=O)CC)cc2C)c1[O-] ZINC000804251920 660971310 /nfs/dbraw/zinc/97/13/10/660971310.db2.gz PGECXJKMCSQZKT-SNVBAGLBSA-N -1 0 372.403 -0.386 20 0 FBADRM O=C(Nc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1)c1cc(=O)[nH][n-]1 ZINC000804275892 660971564 /nfs/dbraw/zinc/97/15/64/660971564.db2.gz FQMLYSWHJJIDKG-LLVKDONJSA-N -1 0 366.399 -0.354 20 0 FBADRM O=C(Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1)c1cc(=O)[nH][n-]1 ZINC000804275893 660971498 /nfs/dbraw/zinc/97/14/98/660971498.db2.gz FQMLYSWHJJIDKG-NSHDSACASA-N -1 0 366.399 -0.354 20 0 FBADRM NC(=O)[C@H](CO)NC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000804355666 660971846 /nfs/dbraw/zinc/97/18/46/660971846.db2.gz GLIQOQVCYDGHLD-QMMMGPOBSA-N -1 0 355.294 -0.476 20 0 FBADRM CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)N[C@@H](CO)C(N)=O ZINC000804355795 660971895 /nfs/dbraw/zinc/97/18/95/660971895.db2.gz LTJIHNFNGVJCQR-ZDUSSCGKSA-N -1 0 351.384 -0.213 20 0 FBADRM NC(=O)[C@H](CO)NC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC000804355917 660971887 /nfs/dbraw/zinc/97/18/87/660971887.db2.gz QSHMXOIUDIXDKW-QMMMGPOBSA-N -1 0 355.294 -0.476 20 0 FBADRM NC(=O)[C@H](CO)NC(=O)c1cccc(I)c1[O-] ZINC000804356442 660971771 /nfs/dbraw/zinc/97/17/71/660971771.db2.gz IXSBVLOQKTZPBD-ZETCQYMHSA-N -1 0 350.112 -0.427 20 0 FBADRM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)[N-]OCCOC)c1 ZINC000804388099 660972383 /nfs/dbraw/zinc/97/23/83/660972383.db2.gz OEEWBDJVPVUAPD-JTQLQIEISA-N -1 0 359.404 -0.534 20 0 FBADRM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)[N-]OCCOC)c1 ZINC000804388100 660972408 /nfs/dbraw/zinc/97/24/08/660972408.db2.gz OEEWBDJVPVUAPD-SNVBAGLBSA-N -1 0 359.404 -0.534 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)N[C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000804388420 660972357 /nfs/dbraw/zinc/97/23/57/660972357.db2.gz UFWVPUJGOFBJRP-LLVKDONJSA-N -1 0 373.431 -0.144 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000804388421 660972287 /nfs/dbraw/zinc/97/22/87/660972287.db2.gz UFWVPUJGOFBJRP-NSHDSACASA-N -1 0 373.431 -0.144 20 0 FBADRM COCCO[N-]C(=O)C(=O)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000804388836 660972390 /nfs/dbraw/zinc/97/23/90/660972390.db2.gz FJNRINGWHZCQMS-LLVKDONJSA-N -1 0 373.431 -0.192 20 0 FBADRM COCCO[N-]C(=O)C(=O)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000804388837 660972344 /nfs/dbraw/zinc/97/23/44/660972344.db2.gz FJNRINGWHZCQMS-NSHDSACASA-N -1 0 373.431 -0.192 20 0 FBADRM Cn1ncc(CNS(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)n1 ZINC000804610601 660973868 /nfs/dbraw/zinc/97/38/68/660973868.db2.gz FSRFOAMHKHIDCB-UHFFFAOYSA-N -1 0 353.360 -0.892 20 0 FBADRM Cn1ncc(CNS(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)n1 ZINC000804610664 660973794 /nfs/dbraw/zinc/97/37/94/660973794.db2.gz JHPVEDQFWNSPGX-UHFFFAOYSA-N -1 0 354.344 -0.237 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000804691282 657248638 /nfs/dbraw/zinc/24/86/38/657248638.db2.gz SGKLEUWAYAIYNV-JTQLQIEISA-N -1 0 368.419 -0.999 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000804691283 657248945 /nfs/dbraw/zinc/24/89/45/657248945.db2.gz SGKLEUWAYAIYNV-SNVBAGLBSA-N -1 0 368.419 -0.999 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCn1cc(Br)cn1 ZINC000804694857 657250559 /nfs/dbraw/zinc/25/05/59/657250559.db2.gz VJNYWKZMHFGMAN-UHFFFAOYSA-N -1 0 366.179 -0.153 20 0 FBADRM CS(=O)(=O)C1(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCCC1 ZINC000804697728 657250531 /nfs/dbraw/zinc/25/05/31/657250531.db2.gz RVGNOILUAGSSQB-UHFFFAOYSA-N -1 0 353.404 -0.455 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000804713821 657255291 /nfs/dbraw/zinc/25/52/91/657255291.db2.gz PCFGBYDTGQAYOB-UHFFFAOYSA-N -1 0 358.280 -0.696 20 0 FBADRM Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)c1cc(=O)[nH][n-]1 ZINC000804743511 657256880 /nfs/dbraw/zinc/25/68/80/657256880.db2.gz JHWOJYARFFSTDV-UHFFFAOYSA-N -1 0 358.807 -0.081 20 0 FBADRM COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)c1cc(=O)[nH][n-]1 ZINC000804831666 657260951 /nfs/dbraw/zinc/26/09/51/657260951.db2.gz FPURFERALQBZTQ-UHFFFAOYSA-N -1 0 355.372 -0.070 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000804909158 660579901 /nfs/dbraw/zinc/57/99/01/660579901.db2.gz LWQJTGFTDQGUBX-UHFFFAOYSA-N -1 0 360.388 -0.721 20 0 FBADRM COCCCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000805042649 660649002 /nfs/dbraw/zinc/64/90/02/660649002.db2.gz AYAGSBWDFJTOPN-JTQLQIEISA-N -1 0 359.404 -0.463 20 0 FBADRM COCCCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000805042650 660648993 /nfs/dbraw/zinc/64/89/93/660648993.db2.gz AYAGSBWDFJTOPN-SNVBAGLBSA-N -1 0 359.404 -0.463 20 0 FBADRM COCCCO[N-]C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000805043822 660649417 /nfs/dbraw/zinc/64/94/17/660649417.db2.gz SRMFDPUNVULTFE-UHFFFAOYSA-N -1 0 359.360 -0.674 20 0 FBADRM COCCCO[N-]C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000805045599 660649844 /nfs/dbraw/zinc/64/98/44/660649844.db2.gz UJCJYAIZMDJDGQ-UHFFFAOYSA-N -1 0 373.431 -0.249 20 0 FBADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)[N-]N2CCCNC2=O)cn1C ZINC000805072503 660660439 /nfs/dbraw/zinc/66/04/39/660660439.db2.gz PRHQIPCNVXEISC-UHFFFAOYSA-N -1 0 358.376 -0.621 20 0 FBADRM Cn1nnc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)n1 ZINC000805082600 660664050 /nfs/dbraw/zinc/66/40/50/660664050.db2.gz RIQNJVQISMLJOY-UHFFFAOYSA-N -1 0 367.359 -0.315 20 0 FBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000805185831 660696129 /nfs/dbraw/zinc/69/61/29/660696129.db2.gz QQWPBVJBQUBGQN-LLVKDONJSA-N -1 0 350.375 -0.825 20 0 FBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000805185832 660696155 /nfs/dbraw/zinc/69/61/55/660696155.db2.gz QQWPBVJBQUBGQN-NSHDSACASA-N -1 0 350.375 -0.825 20 0 FBADRM CSCCO[N-]C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000805186417 660696205 /nfs/dbraw/zinc/69/62/05/660696205.db2.gz IEROLLJQOPVDKP-LLVKDONJSA-N -1 0 366.443 -0.109 20 0 FBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000805186418 660696157 /nfs/dbraw/zinc/69/61/57/660696157.db2.gz IEROLLJQOPVDKP-NSHDSACASA-N -1 0 366.443 -0.109 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000805336914 660743921 /nfs/dbraw/zinc/74/39/21/660743921.db2.gz CDISHXFELUIWCM-UHFFFAOYSA-N -1 0 359.404 -0.607 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000805338751 660746806 /nfs/dbraw/zinc/74/68/06/660746806.db2.gz OAKJUWUEUGTBBM-UHFFFAOYSA-N -1 0 373.431 -0.217 20 0 FBADRM CC[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@@H](C)S1(=O)=O ZINC000805389860 660764428 /nfs/dbraw/zinc/76/44/28/660764428.db2.gz BFWVRGHOFONHII-NXEZZACHSA-N -1 0 353.404 -0.505 20 0 FBADRM CC[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@H](C)S1(=O)=O ZINC000805389861 660764624 /nfs/dbraw/zinc/76/46/24/660764624.db2.gz BFWVRGHOFONHII-UWVGGRQHSA-N -1 0 353.404 -0.505 20 0 FBADRM CC[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@H](C)S1(=O)=O ZINC000805389862 660764583 /nfs/dbraw/zinc/76/45/83/660764583.db2.gz BFWVRGHOFONHII-VHSXEESVSA-N -1 0 353.404 -0.505 20 0 FBADRM CC[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@@H](C)S1(=O)=O ZINC000805389863 660764882 /nfs/dbraw/zinc/76/48/82/660764882.db2.gz BFWVRGHOFONHII-ZJUUUORDSA-N -1 0 353.404 -0.505 20 0 FBADRM COC(=O)C(C)(C)C(=O)[C@@H](C)OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000805448334 660781083 /nfs/dbraw/zinc/78/10/83/660781083.db2.gz LPWFVQKTTCUHOD-MRVPVSSYSA-N -1 0 350.331 -0.229 20 0 FBADRM COC(=O)C(C)(C)C(=O)[C@H](C)OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000805448338 660780943 /nfs/dbraw/zinc/78/09/43/660780943.db2.gz LPWFVQKTTCUHOD-QMMMGPOBSA-N -1 0 350.331 -0.229 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCc1ccnc(OC2CCOCC2)c1 ZINC000805541160 660807769 /nfs/dbraw/zinc/80/77/69/660807769.db2.gz WGCMENRNIQOQBT-UHFFFAOYSA-N -1 0 353.375 -0.050 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000805749811 660859815 /nfs/dbraw/zinc/85/98/15/660859815.db2.gz UDJUXQWBHCZRGL-UHFFFAOYSA-N -1 0 354.432 -0.055 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000805749974 660859705 /nfs/dbraw/zinc/85/97/05/660859705.db2.gz VXEGZKXMSQSIBC-UHFFFAOYSA-N -1 0 352.391 -0.381 20 0 FBADRM C[C@H]1CCN(CC(=O)N2CCNC(=O)C2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805787870 660873493 /nfs/dbraw/zinc/87/34/93/660873493.db2.gz AIOGSKCEKHROES-KWBADKCTSA-N -1 0 364.368 -0.278 20 0 FBADRM CCOC(=O)C(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000805843338 660885853 /nfs/dbraw/zinc/88/58/53/660885853.db2.gz OPVNCUIWTIMUEK-UHFFFAOYSA-N -1 0 359.404 -0.092 20 0 FBADRM Cn1cnc2c1nccc2C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000805843355 660885966 /nfs/dbraw/zinc/88/59/66/660885966.db2.gz PJAQTSFQNKNQIE-UHFFFAOYSA-N -1 0 362.371 -0.476 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)COCc2ccccn2)CC1 ZINC000805863582 660892357 /nfs/dbraw/zinc/89/23/57/660892357.db2.gz GLVLBDJVUJBTSU-UHFFFAOYSA-N -1 0 371.415 -0.156 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)COCc2cccnc2)CC1 ZINC000805864816 660892668 /nfs/dbraw/zinc/89/26/68/660892668.db2.gz YPYITXPKDIJUBT-UHFFFAOYSA-N -1 0 371.415 -0.156 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000805880280 660896861 /nfs/dbraw/zinc/89/68/61/660896861.db2.gz JXCYHUKIHYUUFA-UHFFFAOYSA-N -1 0 360.457 -0.004 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cccc(CN2CCOCC2)c1 ZINC000805888433 660899394 /nfs/dbraw/zinc/89/93/94/660899394.db2.gz OJSLPADRDNKQKI-UHFFFAOYSA-N -1 0 369.443 -0.174 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)COCc2cccnc2)s1 ZINC000805902307 660900923 /nfs/dbraw/zinc/90/09/23/660900923.db2.gz OJLUIXJQTSGFRK-UHFFFAOYSA-N -1 0 371.400 -0.087 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)COCc2ccccn2)s1 ZINC000805902962 660900905 /nfs/dbraw/zinc/90/09/05/660900905.db2.gz ZHUDCPUMRNGPIW-UHFFFAOYSA-N -1 0 371.400 -0.087 20 0 FBADRM C[C@H]1CN(Cc2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2)C[C@H](C)O1 ZINC000805915622 660903879 /nfs/dbraw/zinc/90/38/79/660903879.db2.gz JAAHHHIYBRTIRW-RYUDHWBXSA-N -1 0 369.443 -0.159 20 0 FBADRM C[C@@H]1CN(Cc2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2)C[C@H](C)O1 ZINC000805915626 660903956 /nfs/dbraw/zinc/90/39/56/660903956.db2.gz JAAHHHIYBRTIRW-TXEJJXNPSA-N -1 0 369.443 -0.159 20 0 FBADRM C[C@@H]1CN(Cc2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2)C[C@@H](C)O1 ZINC000805915628 660903861 /nfs/dbraw/zinc/90/38/61/660903861.db2.gz JAAHHHIYBRTIRW-VXGBXAGGSA-N -1 0 369.443 -0.159 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cccc(CN2CCOCC2)c1 ZINC000805924943 660905668 /nfs/dbraw/zinc/90/56/68/660905668.db2.gz YYPIVMULLCJUOT-UHFFFAOYSA-N -1 0 365.415 -0.234 20 0 FBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2cnc(NC(C)=O)s2)CCC1 ZINC000805947305 660909735 /nfs/dbraw/zinc/90/97/35/660909735.db2.gz DCVGNQAOJIQVEU-UHFFFAOYSA-N -1 0 360.417 -0.177 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)Cn2ccccc2=O)s1 ZINC000805948064 660909762 /nfs/dbraw/zinc/90/97/62/660909762.db2.gz PDHXBUBJNQQUOU-UHFFFAOYSA-N -1 0 356.385 -0.232 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)c2ccoc2CC(N)=O)s1 ZINC000805948366 660910026 /nfs/dbraw/zinc/91/00/26/660910026.db2.gz GDBVLXSISNCDHC-UHFFFAOYSA-N -1 0 372.384 -0.159 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)C2CC2)s1 ZINC000805948419 660910018 /nfs/dbraw/zinc/91/00/18/660910018.db2.gz ICFNLWVUFVZBMA-UHFFFAOYSA-N -1 0 360.417 -0.225 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)c2cnc3n[nH]nc3c2)s1 ZINC000805948470 660910021 /nfs/dbraw/zinc/91/00/21/660910021.db2.gz XKRAPEZMYHSBGD-UHFFFAOYSA-N -1 0 367.372 -0.114 20 0 FBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000805948749 660910010 /nfs/dbraw/zinc/91/00/10/660910010.db2.gz IJCNNNLCPVJPCE-UHFFFAOYSA-N -1 0 350.378 -0.395 20 0 FBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000805949055 660909965 /nfs/dbraw/zinc/90/99/65/660909965.db2.gz USSASPXFMNSBSQ-YFKPBYRVSA-N -1 0 350.378 -0.349 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)[nH]c2=O)s1 ZINC000805949062 660910033 /nfs/dbraw/zinc/91/00/33/660910033.db2.gz UWRPSWRYAYPTPZ-UHFFFAOYSA-N -1 0 373.372 -0.981 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCC(=O)NC2)s1 ZINC000805949276 660910022 /nfs/dbraw/zinc/91/00/22/660910022.db2.gz QROIQOCUBDBTNN-GFCCVEGCSA-N -1 0 360.417 -0.177 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCC(=O)NC2)s1 ZINC000805949277 660909951 /nfs/dbraw/zinc/90/99/51/660909951.db2.gz QROIQOCUBDBTNN-LBPRGKRZSA-N -1 0 360.417 -0.177 20 0 FBADRM COCCCOCC(=O)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000805949317 660910012 /nfs/dbraw/zinc/91/00/12/660910012.db2.gz SNPXPQIUIYLPLQ-UHFFFAOYSA-N -1 0 351.406 -0.041 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)c2cnc(NC(C)=O)s2)nn1C ZINC000805949481 660909972 /nfs/dbraw/zinc/90/99/72/660909972.db2.gz XWVLMFLRBBPPGD-UHFFFAOYSA-N -1 0 359.389 -0.038 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)c2coc(C(N)=O)c2)s1 ZINC000805949638 660910039 /nfs/dbraw/zinc/91/00/39/660910039.db2.gz FBCJMRCVEVZZCE-UHFFFAOYSA-N -1 0 358.357 -0.088 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)c2cc(C(N)=O)cn2C)s1 ZINC000805950151 660910023 /nfs/dbraw/zinc/91/00/23/660910023.db2.gz MZMPRSMFROCBBL-UHFFFAOYSA-N -1 0 371.400 -0.342 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)c2cccn(C)c2=O)s1 ZINC000805950229 660910002 /nfs/dbraw/zinc/91/00/02/660910002.db2.gz JLZFFQYBARKDFU-UHFFFAOYSA-N -1 0 356.385 -0.081 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000805950378 660910011 /nfs/dbraw/zinc/91/00/11/660910011.db2.gz GKUGLOKRLWNWSM-SECBINFHSA-N -1 0 362.433 -0.373 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000805950379 660910031 /nfs/dbraw/zinc/91/00/31/660910031.db2.gz GKUGLOKRLWNWSM-VIFPVBQESA-N -1 0 362.433 -0.373 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)o2)s1 ZINC000805950515 660910017 /nfs/dbraw/zinc/91/00/17/660910017.db2.gz SVAVKCRFDKUCGY-UHFFFAOYSA-N -1 0 358.357 -0.088 20 0 FBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cnc(NC(C)=O)s2)on1 ZINC000805950571 660910019 /nfs/dbraw/zinc/91/00/19/660910019.db2.gz OIKYLCMQGADIFL-UHFFFAOYSA-N -1 0 374.356 -0.005 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CC3)C2)s1 ZINC000805950676 660910034 /nfs/dbraw/zinc/91/00/34/660910034.db2.gz KCDPWWIBFJQLQP-MRVPVSSYSA-N -1 0 372.428 -0.083 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CC3)C2)s1 ZINC000805950677 660910013 /nfs/dbraw/zinc/91/00/13/660910013.db2.gz KCDPWWIBFJQLQP-QMMMGPOBSA-N -1 0 372.428 -0.083 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000805950751 660909995 /nfs/dbraw/zinc/90/99/95/660909995.db2.gz QDBUXFVLVDHRBL-UHFFFAOYSA-N -1 0 364.405 -0.989 20 0 FBADRM CCOCCOCC(=O)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000805950985 660910009 /nfs/dbraw/zinc/91/00/09/660910009.db2.gz NXGDIHQGPZEJJF-UHFFFAOYSA-N -1 0 351.406 -0.041 20 0 FBADRM COCCOCCC(=O)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000805951105 660909990 /nfs/dbraw/zinc/90/99/90/660909990.db2.gz VLMVYDSWRSLCTM-UHFFFAOYSA-N -1 0 351.406 -0.041 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(N)=O)c2)s1 ZINC000805951159 660909959 /nfs/dbraw/zinc/90/99/59/660909959.db2.gz XNHLUWRVDSWAFI-UHFFFAOYSA-N -1 0 357.373 -0.353 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)COCc2ccnn2C)s1 ZINC000805951290 660910037 /nfs/dbraw/zinc/91/00/37/660910037.db2.gz ZSFQRVVPGAOPKH-UHFFFAOYSA-N -1 0 373.416 -0.143 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)c2ccc(=O)n(C)c2)s1 ZINC000805951305 660910000 /nfs/dbraw/zinc/91/00/00/660910000.db2.gz VIOQBUZAZZMGSQ-UHFFFAOYSA-N -1 0 356.385 -0.081 20 0 FBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000805951315 660910381 /nfs/dbraw/zinc/91/03/81/660910381.db2.gz VQWXGNKOZPPQJE-UHFFFAOYSA-N -1 0 350.378 -0.348 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)CCN2CCCC2=O)s1 ZINC000805951329 660910369 /nfs/dbraw/zinc/91/03/69/660910369.db2.gz WQJXKDWUKYIPKH-UHFFFAOYSA-N -1 0 360.417 -0.081 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)C2(C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000806026958 660923523 /nfs/dbraw/zinc/92/35/23/660923523.db2.gz SXMYXLSLINFEGD-UHFFFAOYSA-N -1 0 366.399 -0.447 20 0 FBADRM Cn1c(C(=O)[N-]S(=O)(=O)C2(C)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000806029851 660923697 /nfs/dbraw/zinc/92/36/97/660923697.db2.gz SUGZYFREKVRAMS-UHFFFAOYSA-N -1 0 354.388 -0.812 20 0 FBADRM CC1(S(=O)(=O)[N-]C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000806031324 660925125 /nfs/dbraw/zinc/92/51/25/660925125.db2.gz DMGNKBGTCZNPID-UHFFFAOYSA-N -1 0 358.397 -0.170 20 0 FBADRM CC1(S(=O)(=O)[N-]C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000806031418 660925168 /nfs/dbraw/zinc/92/51/68/660925168.db2.gz DLNCNZLVEGBGJF-UHFFFAOYSA-N -1 0 360.413 -0.442 20 0 FBADRM O=C([N-]OC1CCOCC1)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000806088274 660946097 /nfs/dbraw/zinc/94/60/97/660946097.db2.gz QEKPILANMMARBV-CABCVRRESA-N -1 0 355.435 -0.027 20 0 FBADRM O=C([N-]OC1CCOCC1)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000806088275 660946049 /nfs/dbraw/zinc/94/60/49/660946049.db2.gz QEKPILANMMARBV-GJZGRUSLSA-N -1 0 355.435 -0.027 20 0 FBADRM O=C([N-]OC1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000806088276 660945995 /nfs/dbraw/zinc/94/59/95/660945995.db2.gz QEKPILANMMARBV-HUUCEWRRSA-N -1 0 355.435 -0.027 20 0 FBADRM O=C([N-]OC1CCOCC1)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000806088277 660946061 /nfs/dbraw/zinc/94/60/61/660946061.db2.gz QEKPILANMMARBV-LSDHHAIUSA-N -1 0 355.435 -0.027 20 0 FBADRM COCc1ccccc1CS(=O)(=O)[N-]C(=O)c1cn(CC(N)=O)nn1 ZINC000806091826 660947220 /nfs/dbraw/zinc/94/72/20/660947220.db2.gz PAFNSDNGQXMRSR-UHFFFAOYSA-N -1 0 367.387 -0.830 20 0 FBADRM COCc1ccccc1CS(=O)(=O)[N-]C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000806092272 660947516 /nfs/dbraw/zinc/94/75/16/660947516.db2.gz WEZCYSCNUQBGOE-UHFFFAOYSA-N -1 0 367.383 -0.108 20 0 FBADRM COCc1ccccc1CS(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O ZINC000806092473 660947747 /nfs/dbraw/zinc/94/77/47/660947747.db2.gz SALNMJUSSNMIKR-UHFFFAOYSA-N -1 0 364.445 -0.330 20 0 FBADRM COCc1ccccc1CS(=O)(=O)[N-]C(=O)Cn1ncn(C)c1=O ZINC000806094679 660948275 /nfs/dbraw/zinc/94/82/75/660948275.db2.gz UEADLASYEYTHKY-UHFFFAOYSA-N -1 0 354.388 -0.626 20 0 FBADRM COCc1ccccc1CS(=O)(=O)[N-]C(=O)CN1CCOCC1=O ZINC000806095256 660948358 /nfs/dbraw/zinc/94/83/58/660948358.db2.gz ZLBYPXRYFRTWJO-UHFFFAOYSA-N -1 0 356.400 -0.362 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1COC ZINC000806095781 660948371 /nfs/dbraw/zinc/94/83/71/660948371.db2.gz VBFZQZMGIRFAHV-UHFFFAOYSA-N -1 0 358.416 -0.116 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)[C@H]2COCCO2)c(Br)n1C ZINC000806117407 660974133 /nfs/dbraw/zinc/97/41/33/660974133.db2.gz AOIPGHYRTROUET-SSDOTTSWSA-N -1 0 368.209 -0.289 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCO2)c(Br)n1C ZINC000806117408 660974101 /nfs/dbraw/zinc/97/41/01/660974101.db2.gz AOIPGHYRTROUET-ZETCQYMHSA-N -1 0 368.209 -0.289 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)c2cnn(C)n2)c(Br)n1C ZINC000806117524 657350119 /nfs/dbraw/zinc/35/01/19/657350119.db2.gz YOCDVZGEDRDBPW-UHFFFAOYSA-N -1 0 363.197 -0.262 20 0 FBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000806117703 657351555 /nfs/dbraw/zinc/35/15/55/657351555.db2.gz JUKWOMLAOTZEAY-UHFFFAOYSA-N -1 0 369.197 -0.348 20 0 FBADRM CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000806117876 660974140 /nfs/dbraw/zinc/97/41/40/660974140.db2.gz QHRYJAVNUBCYPQ-RXMQYKEDSA-N -1 0 367.225 -0.179 20 0 FBADRM CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000806117877 660974016 /nfs/dbraw/zinc/97/40/16/660974016.db2.gz QHRYJAVNUBCYPQ-YFKPBYRVSA-N -1 0 367.225 -0.179 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)c2cnnn2C)c(Br)n1C ZINC000806117979 657360660 /nfs/dbraw/zinc/36/06/60/657360660.db2.gz BFJTVJOUKYSMDU-UHFFFAOYSA-N -1 0 363.197 -0.262 20 0 FBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000806118247 657374587 /nfs/dbraw/zinc/37/45/87/657374587.db2.gz XGHCVWMSOKEQNM-UHFFFAOYSA-N -1 0 367.225 -0.226 20 0 FBADRM CCc1cc(N2CCC[C@@H](NC(=O)C(=O)[N-]OCCOC)C2)ncn1 ZINC000806269972 660975194 /nfs/dbraw/zinc/97/51/94/660975194.db2.gz QXLMGOMIGBFGON-CYBMUJFWSA-N -1 0 351.407 -0.182 20 0 FBADRM CCc1cc(N2CCC[C@H](NC(=O)C(=O)[N-]OCCOC)C2)ncn1 ZINC000806269975 660975185 /nfs/dbraw/zinc/97/51/85/660975185.db2.gz QXLMGOMIGBFGON-ZDUSSCGKSA-N -1 0 351.407 -0.182 20 0 FBADRM CCCCNC(=O)CN1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC000806313967 660975167 /nfs/dbraw/zinc/97/51/67/660975167.db2.gz IRCNQXRVTXIZLH-UHFFFAOYSA-N -1 0 356.452 -0.337 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCNS(=O)(=O)Cc1ccccc1 ZINC000806451626 660975828 /nfs/dbraw/zinc/97/58/28/660975828.db2.gz IVEKYHXOGHGLQV-UHFFFAOYSA-N -1 0 371.444 -0.162 20 0 FBADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)NCCOCC(=O)[O-])cn1C ZINC000806633933 660976992 /nfs/dbraw/zinc/97/69/92/660976992.db2.gz AQEWGDUCQHVCGS-UHFFFAOYSA-N -1 0 362.360 -0.850 20 0 FBADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)N[C@H](COC)C(=O)[O-])cn1C ZINC000806635451 660977057 /nfs/dbraw/zinc/97/70/57/660977057.db2.gz RYMDQAYYQPWWLJ-SECBINFHSA-N -1 0 362.360 -0.851 20 0 FBADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)N[C@@H](COC)C(=O)[O-])cn1C ZINC000806635452 660977009 /nfs/dbraw/zinc/97/70/09/660977009.db2.gz RYMDQAYYQPWWLJ-VIFPVBQESA-N -1 0 362.360 -0.851 20 0 FBADRM Cc1nc(S(=O)(=O)N(CCO)CCC(=O)[O-])c(Br)n1C ZINC000806635812 660977051 /nfs/dbraw/zinc/97/70/51/660977051.db2.gz FBCAAINWCZYEII-UHFFFAOYSA-N -1 0 370.225 -0.051 20 0 FBADRM CCN(C)C(=O)c1cccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000806636593 660977020 /nfs/dbraw/zinc/97/70/20/660977020.db2.gz QOAXDBPLYPTVRE-YPMHNXCESA-N -1 0 356.400 -0.013 20 0 FBADRM CCN(C)C(=O)c1cccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000806637707 660976995 /nfs/dbraw/zinc/97/69/95/660976995.db2.gz QOAXDBPLYPTVRE-DGCLKSJQSA-N -1 0 356.400 -0.013 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@H](CC3CC3)C(=O)[O-])cnc21 ZINC000806640664 660977045 /nfs/dbraw/zinc/97/70/45/660977045.db2.gz QYUDBTMOWLBINK-SNVBAGLBSA-N -1 0 368.371 -0.434 20 0 FBADRM CC(C)(C)OC(=O)CS(=O)(=O)CCS(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000806648469 660976987 /nfs/dbraw/zinc/97/69/87/660976987.db2.gz YYUDUOFLGCZWCG-UHFFFAOYSA-N -1 0 355.394 -0.960 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)n[n-]1 ZINC000806696017 660978520 /nfs/dbraw/zinc/97/85/20/660978520.db2.gz YABOJPHJLMVFBF-RXMQYKEDSA-N -1 0 355.298 -0.300 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)n[n-]1 ZINC000806696020 660978552 /nfs/dbraw/zinc/97/85/52/660978552.db2.gz YABOJPHJLMVFBF-YFKPBYRVSA-N -1 0 355.298 -0.300 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1 ZINC000806984712 660980486 /nfs/dbraw/zinc/98/04/86/660980486.db2.gz QYEFWKLKDSIDOK-UHFFFAOYSA-N -1 0 363.367 -0.243 20 0 FBADRM COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000806996000 660980733 /nfs/dbraw/zinc/98/07/33/660980733.db2.gz SYVDITOMKXXTQK-MRVPVSSYSA-N -1 0 357.367 -0.027 20 0 FBADRM COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000806996001 660980822 /nfs/dbraw/zinc/98/08/22/660980822.db2.gz SYVDITOMKXXTQK-QMMMGPOBSA-N -1 0 357.367 -0.027 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000807067994 660981646 /nfs/dbraw/zinc/98/16/46/660981646.db2.gz CPSKAHFOEAQJRX-UHFFFAOYSA-N -1 0 363.367 -0.291 20 0 FBADRM COCCO[N-]C(=O)C(=O)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000807373750 660982786 /nfs/dbraw/zinc/98/27/86/660982786.db2.gz ZYXVNCIUYXPGNS-GFCCVEGCSA-N -1 0 358.416 -0.032 20 0 FBADRM COCCO[N-]C(=O)C(=O)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000807373751 660982691 /nfs/dbraw/zinc/98/26/91/660982691.db2.gz ZYXVNCIUYXPGNS-LBPRGKRZSA-N -1 0 358.416 -0.032 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCc1cc(F)ccc1N1CCOCC1 ZINC000807379138 660982946 /nfs/dbraw/zinc/98/29/46/660982946.db2.gz NQZARHWFWHVGDV-UHFFFAOYSA-N -1 0 355.366 -0.027 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CS(=O)(=O)CCOC)ccc1[O-] ZINC000807384290 660983050 /nfs/dbraw/zinc/98/30/50/660983050.db2.gz DKRYOGHLDCPKJX-UHFFFAOYSA-N -1 0 366.417 -0.700 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CCn2cc[nH]c(=O)c2=O)ccc1[O-] ZINC000807386465 660983023 /nfs/dbraw/zinc/98/30/23/660983023.db2.gz VMEUULPFPOYLDH-UHFFFAOYSA-N -1 0 368.371 -0.821 20 0 FBADRM COCCCO[N-]C(=O)C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 ZINC000807435380 660983291 /nfs/dbraw/zinc/98/32/91/660983291.db2.gz JRJZDXIZYMSTQO-UHFFFAOYSA-N -1 0 350.335 -0.306 20 0 FBADRM COCCCO[N-]C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000807436462 660983266 /nfs/dbraw/zinc/98/32/66/660983266.db2.gz QKUBUSZDMCATOZ-UHFFFAOYSA-N -1 0 350.375 -0.354 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)C(=O)[N-]OCCCOC)c2ccccc2O1 ZINC000807436505 660983328 /nfs/dbraw/zinc/98/33/28/660983328.db2.gz RTSJVAIJFPFXHJ-CYBMUJFWSA-N -1 0 351.359 -0.389 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)[N-]OCCCOC)c2ccccc2O1 ZINC000807436507 660983215 /nfs/dbraw/zinc/98/32/15/660983215.db2.gz RTSJVAIJFPFXHJ-ZDUSSCGKSA-N -1 0 351.359 -0.389 20 0 FBADRM COCCCO[N-]C(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000807436829 660983243 /nfs/dbraw/zinc/98/32/43/660983243.db2.gz XBXANDCOGSDSHU-UHFFFAOYSA-N -1 0 359.404 -0.241 20 0 FBADRM COCCCO[N-]C(=O)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000807437477 660983212 /nfs/dbraw/zinc/98/32/12/660983212.db2.gz MOMGIBRMAUGMDM-UHFFFAOYSA-N -1 0 359.404 -0.026 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000807657631 660984727 /nfs/dbraw/zinc/98/47/27/660984727.db2.gz XHGYMJPLIOLWIR-LLVKDONJSA-N -1 0 353.379 -0.884 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000807657632 660984675 /nfs/dbraw/zinc/98/46/75/660984675.db2.gz XHGYMJPLIOLWIR-NSHDSACASA-N -1 0 353.379 -0.884 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000807769959 660985162 /nfs/dbraw/zinc/98/51/62/660985162.db2.gz WJOCXYLSSYHQOY-LLVKDONJSA-N -1 0 353.379 -0.966 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000807769963 660985349 /nfs/dbraw/zinc/98/53/49/660985349.db2.gz WJOCXYLSSYHQOY-NSHDSACASA-N -1 0 353.379 -0.966 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NCCn2cnnn2)c1 ZINC000807922106 660986165 /nfs/dbraw/zinc/98/61/65/660986165.db2.gz KAQXQVWEUVHKRX-UHFFFAOYSA-N -1 0 367.391 -0.567 20 0 FBADRM NC(=O)C1(O)CCN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000808025620 660987261 /nfs/dbraw/zinc/98/72/61/660987261.db2.gz CFQLQKUIYPUOHB-UHFFFAOYSA-N -1 0 362.411 -0.476 20 0 FBADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)[N-]c2cnn(CCO)c2)cn1C ZINC000808081370 660987551 /nfs/dbraw/zinc/98/75/51/660987551.db2.gz NMNBQFOSOFEXBU-UHFFFAOYSA-N -1 0 370.387 -0.240 20 0 FBADRM CCN=c1nc(NCC)nc2[n-]nc(SCC(=O)O[C@H]3CNOC3)n21 ZINC000808092161 660987741 /nfs/dbraw/zinc/98/77/41/660987741.db2.gz VGDJZXSKHVENOD-QMMMGPOBSA-N -1 0 368.423 -0.657 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccn(CCS(C)(=O)=O)n1 ZINC000808094448 660987676 /nfs/dbraw/zinc/98/76/76/660987676.db2.gz PAWRPIVKMSQWNO-UHFFFAOYSA-N -1 0 367.449 -0.131 20 0 FBADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)cn1C ZINC000808109397 660987695 /nfs/dbraw/zinc/98/76/95/660987695.db2.gz SDKFIHQDSAXJFC-UHFFFAOYSA-N -1 0 369.359 -0.606 20 0 FBADRM CSCCO[N-]C(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000808136322 660988040 /nfs/dbraw/zinc/98/80/40/660988040.db2.gz BHUWFGNHISBWDH-LLVKDONJSA-N -1 0 369.447 -0.562 20 0 FBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000808136323 660988013 /nfs/dbraw/zinc/98/80/13/660988013.db2.gz BHUWFGNHISBWDH-NSHDSACASA-N -1 0 369.447 -0.562 20 0 FBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000808152328 660988291 /nfs/dbraw/zinc/98/82/91/660988291.db2.gz HJRKRLRKRDLCQR-CYBMUJFWSA-N -1 0 350.375 -0.617 20 0 FBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000808152329 660988229 /nfs/dbraw/zinc/98/82/29/660988229.db2.gz HJRKRLRKRDLCQR-ZDUSSCGKSA-N -1 0 350.375 -0.617 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000808188192 660988728 /nfs/dbraw/zinc/98/87/28/660988728.db2.gz RHFPQZITFWKTLI-CYBMUJFWSA-N -1 0 350.375 -0.223 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000808188194 660988642 /nfs/dbraw/zinc/98/86/42/660988642.db2.gz RHFPQZITFWKTLI-ZDUSSCGKSA-N -1 0 350.375 -0.223 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000808225865 660989016 /nfs/dbraw/zinc/98/90/16/660989016.db2.gz ABVYSXCDXRZYRW-SECBINFHSA-N -1 0 355.313 -0.260 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000808225866 660988971 /nfs/dbraw/zinc/98/89/71/660988971.db2.gz ABVYSXCDXRZYRW-VIFPVBQESA-N -1 0 355.313 -0.260 20 0 FBADRM O=C([N-]OC1CCOCC1)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000808226249 660989154 /nfs/dbraw/zinc/98/91/54/660989154.db2.gz ALBVVMVSLPRDSX-JTQLQIEISA-N -1 0 367.324 -0.117 20 0 FBADRM O=C([N-]OC1CCOCC1)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000808226251 660989257 /nfs/dbraw/zinc/98/92/57/660989257.db2.gz ALBVVMVSLPRDSX-SNVBAGLBSA-N -1 0 367.324 -0.117 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cncc(C(=O)OC)c2)C1=O ZINC000808308577 660989953 /nfs/dbraw/zinc/98/99/53/660989953.db2.gz BPNGFVJTJUQQNI-CYBMUJFWSA-N -1 0 356.360 -0.218 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cncc(C(=O)OC)c2)C1=O ZINC000808308578 660989816 /nfs/dbraw/zinc/98/98/16/660989816.db2.gz BPNGFVJTJUQQNI-ZDUSSCGKSA-N -1 0 356.360 -0.218 20 0 FBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]N1C(=O)N[C@](C)(CC)C1=O ZINC000808308911 660989904 /nfs/dbraw/zinc/98/99/04/660989904.db2.gz GQEDITLHUQEJSK-CYBMUJFWSA-N -1 0 373.391 -0.191 20 0 FBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]N1C(=O)N[C@@](C)(CC)C1=O ZINC000808308914 660989855 /nfs/dbraw/zinc/98/98/55/660989855.db2.gz GQEDITLHUQEJSK-ZDUSSCGKSA-N -1 0 373.391 -0.191 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2scnc2C(=O)OC)C1=O ZINC000808310280 660989957 /nfs/dbraw/zinc/98/99/57/660989957.db2.gz NIAPKHVBTUWGRT-LLVKDONJSA-N -1 0 362.389 -0.157 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2scnc2C(=O)OC)C1=O ZINC000808310281 660989844 /nfs/dbraw/zinc/98/98/44/660989844.db2.gz NIAPKHVBTUWGRT-NSHDSACASA-N -1 0 362.389 -0.157 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C(=O)OC)nc2)C1=O ZINC000808310347 660989835 /nfs/dbraw/zinc/98/98/35/660989835.db2.gz WTPXADLZKWQVBK-CYBMUJFWSA-N -1 0 356.360 -0.218 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C(=O)OC)nc2)C1=O ZINC000808310349 660989862 /nfs/dbraw/zinc/98/98/62/660989862.db2.gz WTPXADLZKWQVBK-ZDUSSCGKSA-N -1 0 356.360 -0.218 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)OC)C1=O ZINC000808310402 660989886 /nfs/dbraw/zinc/98/98/86/660989886.db2.gz PHHHCOVLJVJMJZ-GFCCVEGCSA-N -1 0 359.364 -0.581 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)OC)C1=O ZINC000808310403 660989813 /nfs/dbraw/zinc/98/98/13/660989813.db2.gz PHHHCOVLJVJMJZ-LBPRGKRZSA-N -1 0 359.364 -0.581 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2csnc2C(=O)OC)C1=O ZINC000808310445 660989882 /nfs/dbraw/zinc/98/98/82/660989882.db2.gz YBWLKCKNELJRRE-LLVKDONJSA-N -1 0 362.389 -0.157 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2csnc2C(=O)OC)C1=O ZINC000808310446 660989840 /nfs/dbraw/zinc/98/98/40/660989840.db2.gz YBWLKCKNELJRRE-NSHDSACASA-N -1 0 362.389 -0.157 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(C(=O)OC)n(C)c2)C1=O ZINC000808310567 660989792 /nfs/dbraw/zinc/98/97/92/660989792.db2.gz RVZZKIRZIZFVEV-CYBMUJFWSA-N -1 0 358.376 -0.275 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(C(=O)OC)n(C)c2)C1=O ZINC000808310568 660989923 /nfs/dbraw/zinc/98/99/23/660989923.db2.gz RVZZKIRZIZFVEV-ZDUSSCGKSA-N -1 0 358.376 -0.275 20 0 FBADRM COCCO[N-]C(=O)C(=O)NC1CCN(c2cc(C)nc(C)n2)CC1 ZINC000808411234 660990338 /nfs/dbraw/zinc/99/03/38/660990338.db2.gz WBFAOCVKSNTJHX-UHFFFAOYSA-N -1 0 351.407 -0.127 20 0 FBADRM CCc1cc(N2CCC(NC(=O)C(=O)[N-]OCCOC)CC2)ncn1 ZINC000808445863 660990551 /nfs/dbraw/zinc/99/05/51/660990551.db2.gz GIJBLVIMBFCESZ-UHFFFAOYSA-N -1 0 351.407 -0.182 20 0 FBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000808541477 660991027 /nfs/dbraw/zinc/99/10/27/660991027.db2.gz UMTJRJVGGUFSGM-LLVKDONJSA-N -1 0 351.359 -0.389 20 0 FBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCN(c2ccccc2OC)C1=O ZINC000808541478 660990881 /nfs/dbraw/zinc/99/08/81/660990881.db2.gz UMTJRJVGGUFSGM-NSHDSACASA-N -1 0 351.359 -0.389 20 0 FBADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)[N-]c2cc(C(N)=O)n[nH]2)cn1C ZINC000808543027 660990975 /nfs/dbraw/zinc/99/09/75/660990975.db2.gz YRRJCJXVKJDLLC-UHFFFAOYSA-N -1 0 369.359 -0.606 20 0 FBADRM COCCn1cc(S(=O)(=O)N=c2nc(C(F)(F)F)[n-]n2C)cn1 ZINC000808553777 660991009 /nfs/dbraw/zinc/99/10/09/660991009.db2.gz RRAMOOAVZSZTNE-UHFFFAOYSA-N -1 0 354.314 -0.101 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N=c2nc(C(F)(F)F)[n-]n2C)cn1 ZINC000808554081 660990952 /nfs/dbraw/zinc/99/09/52/660990952.db2.gz POCAIBGSPQUBRY-UHFFFAOYSA-N -1 0 368.297 -0.574 20 0 FBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000808562251 660991230 /nfs/dbraw/zinc/99/12/30/660991230.db2.gz JJUMYTDUQUVELQ-CYBMUJFWSA-N -1 0 353.350 -0.263 20 0 FBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000808562252 660991240 /nfs/dbraw/zinc/99/12/40/660991240.db2.gz JJUMYTDUQUVELQ-ZDUSSCGKSA-N -1 0 353.350 -0.263 20 0 FBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000808566388 660991181 /nfs/dbraw/zinc/99/11/81/660991181.db2.gz NUOWYMNMWBCGBR-LLVKDONJSA-N -1 0 357.313 -0.120 20 0 FBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000808566389 660991224 /nfs/dbraw/zinc/99/12/24/660991224.db2.gz NUOWYMNMWBCGBR-NSHDSACASA-N -1 0 357.313 -0.120 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000808794422 660992286 /nfs/dbraw/zinc/99/22/86/660992286.db2.gz ABHFPEUYNZHILY-UHFFFAOYSA-N -1 0 371.415 -0.463 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000808798654 660992246 /nfs/dbraw/zinc/99/22/46/660992246.db2.gz YJBKLBXGEIYFPB-UHFFFAOYSA-N -1 0 371.415 -0.463 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000808841601 660992522 /nfs/dbraw/zinc/99/25/22/660992522.db2.gz VKGBQCJPKSMKGL-UHFFFAOYSA-N -1 0 365.433 -0.855 20 0 FBADRM Cc1cc(NC(=O)C(=O)[N-]OCC(N)=O)nn1-c1ccc(F)cc1F ZINC000808940602 660992876 /nfs/dbraw/zinc/99/28/76/660992876.db2.gz JOVOPCOJFZLFOI-UHFFFAOYSA-N -1 0 353.285 -0.069 20 0 FBADRM CNS(=O)(=O)c1ccc(NC(=O)C(=O)[N-]OCCCC(=O)OC)cc1 ZINC000808964992 660992911 /nfs/dbraw/zinc/99/29/11/660992911.db2.gz GDXLJDMWWFNPAC-UHFFFAOYSA-N -1 0 373.387 -0.466 20 0 FBADRM COC(=O)CCCO[N-]C(=O)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000808965096 660992932 /nfs/dbraw/zinc/99/29/32/660992932.db2.gz JRYMMXFYNAATET-UHFFFAOYSA-N -1 0 373.387 -0.418 20 0 FBADRM COC(=O)CCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000808965103 660992975 /nfs/dbraw/zinc/99/29/75/660992975.db2.gz BYEUGDANCAPBJS-UHFFFAOYSA-N -1 0 370.383 -0.044 20 0 FBADRM COC(=O)CCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000808965171 660993142 /nfs/dbraw/zinc/99/31/42/660993142.db2.gz DNNWGWNBTWERBX-UHFFFAOYSA-N -1 0 351.315 -0.043 20 0 FBADRM CNC(=O)Cc1ccc(NC(=O)C(=O)[N-]OCCCC(=O)OC)cc1 ZINC000808965717 660993126 /nfs/dbraw/zinc/99/31/26/660993126.db2.gz PXVFEPYZQJLZMR-UHFFFAOYSA-N -1 0 351.359 -0.085 20 0 FBADRM COC(=O)CCCO[N-]C(=O)C(=O)Nc1cccc(C(N)=O)c1OC ZINC000808965896 660993138 /nfs/dbraw/zinc/99/31/38/660993138.db2.gz SYIDNRGGFYETEK-UHFFFAOYSA-N -1 0 353.331 -0.266 20 0 FBADRM COC(=O)CCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000808966884 660993191 /nfs/dbraw/zinc/99/31/91/660993191.db2.gz WBLDBBKCTPIASH-UHFFFAOYSA-N -1 0 351.315 -0.043 20 0 FBADRM O=C(C[C@@H]1CCCC(=O)N1)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000808975877 660993203 /nfs/dbraw/zinc/99/32/03/660993203.db2.gz AVJOGVBPTBLITN-JTQLQIEISA-N -1 0 364.387 -0.474 20 0 FBADRM O=C(C[C@H]1CCCC(=O)N1)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000808975879 660993170 /nfs/dbraw/zinc/99/31/70/660993170.db2.gz AVJOGVBPTBLITN-SNVBAGLBSA-N -1 0 364.387 -0.474 20 0 FBADRM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)c1cn(C)nn1 ZINC000808976413 660993161 /nfs/dbraw/zinc/99/31/61/660993161.db2.gz MGWBFYSUMRWWPY-UHFFFAOYSA-N -1 0 353.360 -0.099 20 0 FBADRM O=C([N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)c1cnn(CCF)c1 ZINC000808976443 660993211 /nfs/dbraw/zinc/99/32/11/660993211.db2.gz MUMCCYBCZOLTEC-UHFFFAOYSA-N -1 0 365.350 -0.053 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)nn1 ZINC000808977721 660993116 /nfs/dbraw/zinc/99/31/16/660993116.db2.gz VEICXRBQCXUXSU-UHFFFAOYSA-N -1 0 363.355 -0.829 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCC(=O)N2)c1 ZINC000808978842 660993155 /nfs/dbraw/zinc/99/31/55/660993155.db2.gz OUTNNKVPQUUMEQ-JTQLQIEISA-N -1 0 374.440 -0.046 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCC(=O)N2)c1 ZINC000808978844 660993205 /nfs/dbraw/zinc/99/32/05/660993205.db2.gz OUTNNKVPQUUMEQ-SNVBAGLBSA-N -1 0 374.440 -0.046 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cnn(CCF)c2)CC1 ZINC000808980532 660993130 /nfs/dbraw/zinc/99/31/30/660993130.db2.gz FKFFXUZUIFKVTD-UHFFFAOYSA-N -1 0 362.383 -0.288 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)C[C@H]2CCCC(=O)N2)CC1 ZINC000808980826 660993181 /nfs/dbraw/zinc/99/31/81/660993181.db2.gz PWVQCUKWRZSETD-LLVKDONJSA-N -1 0 361.420 -0.709 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCC(=O)N2)CC1 ZINC000808980827 660993158 /nfs/dbraw/zinc/99/31/58/660993158.db2.gz PWVQCUKWRZSETD-NSHDSACASA-N -1 0 361.420 -0.709 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)Cn2cc(Cl)cn2)CC1 ZINC000808980877 660993208 /nfs/dbraw/zinc/99/32/08/660993208.db2.gz RXOQMIAEHCQGJT-UHFFFAOYSA-N -1 0 364.811 -0.218 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)N2CCN(Cc3ccccc3)CC2)nn1 ZINC000808981696 660993197 /nfs/dbraw/zinc/99/31/97/660993197.db2.gz GGABLMFRKCYOAM-UHFFFAOYSA-N -1 0 364.431 -0.393 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)nn2)s1 ZINC000808981829 660993102 /nfs/dbraw/zinc/99/31/02/660993102.db2.gz UBBALLROPVXLJO-UHFFFAOYSA-N -1 0 357.417 -0.326 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)Cn1cc(Cl)cn1 ZINC000808983473 660993120 /nfs/dbraw/zinc/99/31/20/660993120.db2.gz HAFPOPTZBVESFZ-JTQLQIEISA-N -1 0 364.811 -0.075 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)Cn1cc(Cl)cn1 ZINC000808983474 660993096 /nfs/dbraw/zinc/99/30/96/660993096.db2.gz HAFPOPTZBVESFZ-SNVBAGLBSA-N -1 0 364.811 -0.075 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cnn(CCF)c1 ZINC000808984093 660993217 /nfs/dbraw/zinc/99/32/17/660993217.db2.gz OXYONOSKEDWRHE-LLVKDONJSA-N -1 0 362.383 -0.145 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cnn(CCF)c1 ZINC000808984094 660993187 /nfs/dbraw/zinc/99/31/87/660993187.db2.gz OXYONOSKEDWRHE-NSHDSACASA-N -1 0 362.383 -0.145 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)C[C@H]1CCCC(=O)N1 ZINC000808984522 660993147 /nfs/dbraw/zinc/99/31/47/660993147.db2.gz WRARXVDRCCELAL-GHMZBOCLSA-N -1 0 361.420 -0.566 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)C[C@H]1CCCC(=O)N1 ZINC000808984523 660993195 /nfs/dbraw/zinc/99/31/95/660993195.db2.gz WRARXVDRCCELAL-MNOVXSKESA-N -1 0 361.420 -0.566 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCC(=O)N1 ZINC000808984524 660993420 /nfs/dbraw/zinc/99/34/20/660993420.db2.gz WRARXVDRCCELAL-QWRGUYRKSA-N -1 0 361.420 -0.566 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCC(=O)N1 ZINC000808984525 660993511 /nfs/dbraw/zinc/99/35/11/660993511.db2.gz WRARXVDRCCELAL-WDEREUQCSA-N -1 0 361.420 -0.566 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCC(=O)N2)cc1C(N)=O ZINC000808985395 660993442 /nfs/dbraw/zinc/99/34/42/660993442.db2.gz GQAQDEJCLBYHQM-JTQLQIEISA-N -1 0 353.400 -0.042 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCC(=O)N2)cc1C(N)=O ZINC000808985396 660993500 /nfs/dbraw/zinc/99/35/00/660993500.db2.gz GQAQDEJCLBYHQM-SNVBAGLBSA-N -1 0 353.400 -0.042 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCC(=O)N2)cc1 ZINC000808989290 660993521 /nfs/dbraw/zinc/99/35/21/660993521.db2.gz WGQMOIJBGOYMHW-JTQLQIEISA-N -1 0 374.440 -0.046 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCC(=O)N2)cc1 ZINC000808989292 660993370 /nfs/dbraw/zinc/99/33/70/660993370.db2.gz WGQMOIJBGOYMHW-SNVBAGLBSA-N -1 0 374.440 -0.046 20 0 FBADRM O=C(C[C@H]1CCCC(=O)N1)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000808989506 660993441 /nfs/dbraw/zinc/99/34/41/660993441.db2.gz YCTNEIPKNONLFE-LLVKDONJSA-N -1 0 365.411 -0.164 20 0 FBADRM O=C(C[C@@H]1CCCC(=O)N1)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000808989507 660993405 /nfs/dbraw/zinc/99/34/05/660993405.db2.gz YCTNEIPKNONLFE-NSHDSACASA-N -1 0 365.411 -0.164 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nn1 ZINC000808991339 660993436 /nfs/dbraw/zinc/99/34/36/660993436.db2.gz CYOLDSPBOHBXQS-SECBINFHSA-N -1 0 359.408 -0.116 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)nn1 ZINC000808991340 660993519 /nfs/dbraw/zinc/99/35/19/660993519.db2.gz CYOLDSPBOHBXQS-VIFPVBQESA-N -1 0 359.408 -0.116 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)nn1 ZINC000808993833 660993473 /nfs/dbraw/zinc/99/34/73/660993473.db2.gz XLLVFIANKRAASF-UHFFFAOYSA-N -1 0 371.762 -0.082 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2cnn(CCF)c2)s1 ZINC000808995253 660993485 /nfs/dbraw/zinc/99/34/85/660993485.db2.gz NOKAQNMWZVJRJM-UHFFFAOYSA-N -1 0 362.368 -0.219 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)Cn2cc(Cl)cn2)s1 ZINC000808995789 660993515 /nfs/dbraw/zinc/99/35/15/660993515.db2.gz XCBMVGSZPOLWGJ-UHFFFAOYSA-N -1 0 364.796 -0.149 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCC(=O)N2)cc1 ZINC000808997008 660993489 /nfs/dbraw/zinc/99/34/89/660993489.db2.gz OTNUWMXXGGPWGL-LLVKDONJSA-N -1 0 353.400 -0.090 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCC(=O)N2)cc1 ZINC000808997009 660993431 /nfs/dbraw/zinc/99/34/31/660993431.db2.gz OTNUWMXXGGPWGL-NSHDSACASA-N -1 0 353.400 -0.090 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)nn1 ZINC000808997077 660993410 /nfs/dbraw/zinc/99/34/10/660993410.db2.gz QPXMFHYETFSFNH-UHFFFAOYSA-N -1 0 373.778 -0.549 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)nn1 ZINC000809001078 660993789 /nfs/dbraw/zinc/99/37/89/660993789.db2.gz CWVBVFUVSFTJCS-UHFFFAOYSA-N -1 0 350.360 -0.876 20 0 FBADRM COc1cc(OC)c(S(=O)(=O)[N-]C(=O)c2cn(C)nn2)c(OC)c1 ZINC000809001508 660993743 /nfs/dbraw/zinc/99/37/43/660993743.db2.gz MGQMLAZSPZBHKH-UHFFFAOYSA-N -1 0 356.360 -0.040 20 0 FBADRM COC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)nn2)s1 ZINC000809003948 660993683 /nfs/dbraw/zinc/99/36/83/660993683.db2.gz ZJAKVKNOPFWZFU-UHFFFAOYSA-N -1 0 373.416 -0.106 20 0 FBADRM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C(=O)c2cn(C)nn2)c1F ZINC000809004450 660993759 /nfs/dbraw/zinc/99/37/59/660993759.db2.gz UZDJVNROLAYRQF-UHFFFAOYSA-N -1 0 360.298 -0.001 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000809006125 660993756 /nfs/dbraw/zinc/99/37/56/660993756.db2.gz ZJESMFPLLKWMCA-CMPLNLGQSA-N -1 0 353.379 -0.886 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000809006126 660993709 /nfs/dbraw/zinc/99/37/09/660993709.db2.gz ZJESMFPLLKWMCA-JQWIXIFHSA-N -1 0 353.379 -0.886 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000809006127 660993769 /nfs/dbraw/zinc/99/37/69/660993769.db2.gz ZJESMFPLLKWMCA-PWSUYJOCSA-N -1 0 353.379 -0.886 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000809006128 660993738 /nfs/dbraw/zinc/99/37/38/660993738.db2.gz ZJESMFPLLKWMCA-ZYHUDNBSSA-N -1 0 353.379 -0.886 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCC(=O)N2)s1 ZINC000809008094 660993793 /nfs/dbraw/zinc/99/37/93/660993793.db2.gz NNIGCRANVHHETG-MRVPVSSYSA-N -1 0 360.417 -0.035 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCC(=O)N2)s1 ZINC000809008095 660993656 /nfs/dbraw/zinc/99/36/56/660993656.db2.gz NNIGCRANVHHETG-QMMMGPOBSA-N -1 0 360.417 -0.035 20 0 FBADRM CSCCO[N-]C(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000809008114 660993779 /nfs/dbraw/zinc/99/37/79/660993779.db2.gz ODCXKAYHWFMJKI-GXSJLCMTSA-N -1 0 355.420 -0.559 20 0 FBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000809008115 660993696 /nfs/dbraw/zinc/99/36/96/660993696.db2.gz ODCXKAYHWFMJKI-KOLCDFICSA-N -1 0 355.420 -0.559 20 0 FBADRM CSCCO[N-]C(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000809008116 660993751 /nfs/dbraw/zinc/99/37/51/660993751.db2.gz ODCXKAYHWFMJKI-MWLCHTKSSA-N -1 0 355.420 -0.559 20 0 FBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000809008117 660993806 /nfs/dbraw/zinc/99/38/06/660993806.db2.gz ODCXKAYHWFMJKI-ONGXEEELSA-N -1 0 355.420 -0.559 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)nn1 ZINC000809009713 660993728 /nfs/dbraw/zinc/99/37/28/660993728.db2.gz RDUJIVBVYASIEI-UHFFFAOYSA-N -1 0 353.335 -0.042 20 0 FBADRM O=C([N-]OC1CCCCC1)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000809010343 660993810 /nfs/dbraw/zinc/99/38/10/660993810.db2.gz JHCWZKVEVFYPQE-UHFFFAOYSA-N -1 0 374.419 -0.409 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)c2cn(C)nn2)c(Br)n1C ZINC000809015222 660993954 /nfs/dbraw/zinc/99/39/54/660993954.db2.gz YDNLWRXVOYWWLQ-UHFFFAOYSA-N -1 0 363.197 -0.262 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cn(Cc2ccccn2)nn1 ZINC000809030115 660993987 /nfs/dbraw/zinc/99/39/87/660993987.db2.gz GHDIGLAFEFQIRH-UHFFFAOYSA-N -1 0 361.387 -0.118 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000809030270 660994032 /nfs/dbraw/zinc/99/40/32/660994032.db2.gz MHKGROFWTPKCHK-MRVPVSSYSA-N -1 0 368.337 -0.056 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000809030271 660993959 /nfs/dbraw/zinc/99/39/59/660993959.db2.gz MHKGROFWTPKCHK-QMMMGPOBSA-N -1 0 368.337 -0.056 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000809030371 660993971 /nfs/dbraw/zinc/99/39/71/660993971.db2.gz QUMBMIXKUIUMSZ-UHFFFAOYSA-N -1 0 365.371 -0.004 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC000809030425 660994009 /nfs/dbraw/zinc/99/40/09/660994009.db2.gz SKXVSUHSBPEFDS-UHFFFAOYSA-N -1 0 363.403 -0.019 20 0 FBADRM COc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)c2cn(C)nc2C)cc1 ZINC000809030581 660994017 /nfs/dbraw/zinc/99/40/17/660994017.db2.gz FNMBTXWACMOTNM-UHFFFAOYSA-N -1 0 366.399 -0.028 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000809030795 660994046 /nfs/dbraw/zinc/99/40/46/660994046.db2.gz KBFVWSWNZQVPQU-NOZJJQNGSA-N -1 0 358.445 -0.013 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000809030796 660994024 /nfs/dbraw/zinc/99/40/24/660994024.db2.gz KBFVWSWNZQVPQU-RNCFNFMXSA-N -1 0 358.445 -0.013 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000809030797 660993963 /nfs/dbraw/zinc/99/39/63/660993963.db2.gz KBFVWSWNZQVPQU-TVQRCGJNSA-N -1 0 358.445 -0.013 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000809030798 660994059 /nfs/dbraw/zinc/99/40/59/660994059.db2.gz KBFVWSWNZQVPQU-ZANVPECISA-N -1 0 358.445 -0.013 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000809030803 660994041 /nfs/dbraw/zinc/99/40/41/660994041.db2.gz KHJDVWNAWDAHAP-UHFFFAOYSA-N -1 0 352.438 -0.795 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)(F)F ZINC000809030981 660993949 /nfs/dbraw/zinc/99/39/49/660993949.db2.gz PWVCEWSTPYOZMV-SECBINFHSA-N -1 0 370.353 -0.203 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000809030984 660994052 /nfs/dbraw/zinc/99/40/52/660994052.db2.gz PWVCEWSTPYOZMV-VIFPVBQESA-N -1 0 370.353 -0.203 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)c2cn(C)nc2C)C1=O ZINC000809031139 660994015 /nfs/dbraw/zinc/99/40/15/660994015.db2.gz VXXGHAMAOLTPAV-UHFFFAOYSA-N -1 0 371.419 -0.356 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cccc(OCC(N)=O)c1 ZINC000809031664 660994004 /nfs/dbraw/zinc/99/40/04/660994004.db2.gz KLLDWKJMRCCUOU-UHFFFAOYSA-N -1 0 352.372 -0.289 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1sccc1-n1cnnn1 ZINC000809031702 660994037 /nfs/dbraw/zinc/99/40/37/660994037.db2.gz IWVBORZDYGMHGC-UHFFFAOYSA-N -1 0 353.389 -0.116 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CN1C(=O)COc2ccccc21 ZINC000809031705 660994020 /nfs/dbraw/zinc/99/40/20/660994020.db2.gz LKDQFAFILHAXIA-UHFFFAOYSA-N -1 0 364.383 -0.041 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000809031712 660994054 /nfs/dbraw/zinc/99/40/54/660994054.db2.gz LMVZKXHZWZUPPJ-UHFFFAOYSA-N -1 0 361.387 -0.248 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)COc1ccc(C(N)=O)cc1 ZINC000809031781 660994283 /nfs/dbraw/zinc/99/42/83/660994283.db2.gz MVDFRWCNPNKLLD-UHFFFAOYSA-N -1 0 352.372 -0.289 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CSc1nnnn1C1CC1 ZINC000809032415 660994338 /nfs/dbraw/zinc/99/43/38/660994338.db2.gz XHABYMZLKBYCFO-UHFFFAOYSA-N -1 0 357.421 -0.353 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000809032723 660994317 /nfs/dbraw/zinc/99/43/17/660994317.db2.gz KNBKRKAYRLVDGK-AWEZNQCLSA-N -1 0 369.403 -0.746 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000809032724 660994336 /nfs/dbraw/zinc/99/43/36/660994336.db2.gz KNBKRKAYRLVDGK-CQSZACIVSA-N -1 0 369.403 -0.746 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)Cn1nnc2ccccc2c1=O ZINC000809033653 660994300 /nfs/dbraw/zinc/99/43/00/660994300.db2.gz DHADFMSYEIDQFV-UHFFFAOYSA-N -1 0 362.371 -0.661 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)F ZINC000809034167 660994281 /nfs/dbraw/zinc/99/42/81/660994281.db2.gz SBSCZMJAMKBLLF-SECBINFHSA-N -1 0 352.363 -0.501 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)F ZINC000809034168 660994210 /nfs/dbraw/zinc/99/42/10/660994210.db2.gz SBSCZMJAMKBLLF-VIFPVBQESA-N -1 0 352.363 -0.501 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)Cn1c(=O)cnc2ccccc21 ZINC000809034286 660994175 /nfs/dbraw/zinc/99/41/75/660994175.db2.gz XZFIYACYGRTYFQ-UHFFFAOYSA-N -1 0 361.383 -0.056 20 0 FBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2cn(C)nc2C)CCOCC1 ZINC000809034373 660994350 /nfs/dbraw/zinc/99/43/50/660994350.db2.gz BRAYSVJEEISMGZ-UHFFFAOYSA-N -1 0 359.404 -0.107 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)Cn1c2ccccc2n(C)c1=O ZINC000809034419 660994180 /nfs/dbraw/zinc/99/41/80/660994180.db2.gz DGSGYDSLXUPFRQ-UHFFFAOYSA-N -1 0 363.399 -0.113 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1ccccc1OCC(N)=O ZINC000809036950 660994189 /nfs/dbraw/zinc/99/41/89/660994189.db2.gz FQEBSHNFHKQUPE-UHFFFAOYSA-N -1 0 352.372 -0.289 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000809037133 660994213 /nfs/dbraw/zinc/99/42/13/660994213.db2.gz MAEVSUJDIVSRAV-JTQLQIEISA-N -1 0 364.449 -0.652 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000809037134 660994207 /nfs/dbraw/zinc/99/42/07/660994207.db2.gz MAEVSUJDIVSRAV-SNVBAGLBSA-N -1 0 364.449 -0.652 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)c2cn(C)nc2C)ccc1=O ZINC000809037267 660994305 /nfs/dbraw/zinc/99/43/05/660994305.db2.gz RUFOEJJEMQHDQJ-UHFFFAOYSA-N -1 0 354.388 -0.345 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000809037362 660994193 /nfs/dbraw/zinc/99/41/93/660994193.db2.gz WXHPLTWDYARQPN-UHFFFAOYSA-N -1 0 371.419 -0.356 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)cc1 ZINC000809037613 660994234 /nfs/dbraw/zinc/99/42/34/660994234.db2.gz FDWPFZXGUBHZMW-UHFFFAOYSA-N -1 0 352.372 -0.289 20 0 FBADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000809064065 660994324 /nfs/dbraw/zinc/99/43/24/660994324.db2.gz HRNOAQUEDHBSOJ-UHFFFAOYSA-N -1 0 351.384 -0.348 20 0 FBADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cn(CC(=O)N(C)C)nn2)cc1 ZINC000809064854 660994346 /nfs/dbraw/zinc/99/43/46/660994346.db2.gz PJKBXSYGLCTXOY-UHFFFAOYSA-N -1 0 365.415 -0.065 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)Cc2ccc(C)cc2)C(=O)C1=O ZINC000809066971 660994252 /nfs/dbraw/zinc/99/42/52/660994252.db2.gz FXNUFWLKXRWBKS-UHFFFAOYSA-N -1 0 367.427 -0.368 20 0 FBADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)cc1 ZINC000809067286 660994295 /nfs/dbraw/zinc/99/42/95/660994295.db2.gz KZHFLAFQGUGGFW-UHFFFAOYSA-N -1 0 351.384 -0.498 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])c(OC)c1 ZINC000809224120 660995133 /nfs/dbraw/zinc/99/51/33/660995133.db2.gz LHERSWQOGHBACN-UHFFFAOYSA-N -1 0 361.372 -0.061 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)F)CC1 ZINC000809227317 660995097 /nfs/dbraw/zinc/99/50/97/660995097.db2.gz VZHUNZADBFDPED-SECBINFHSA-N -1 0 373.378 -0.049 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)F)CC1 ZINC000809227318 660995161 /nfs/dbraw/zinc/99/51/61/660995161.db2.gz VZHUNZADBFDPED-VIFPVBQESA-N -1 0 373.378 -0.049 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)cc1C(N)=O ZINC000809550651 660997499 /nfs/dbraw/zinc/99/74/99/660997499.db2.gz GETCHQMPHYTAOQ-LBPRGKRZSA-N -1 0 353.356 -0.066 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1 ZINC000809551041 660997443 /nfs/dbraw/zinc/99/74/43/660997443.db2.gz OBTWXEZQFVVVBP-ZDUSSCGKSA-N -1 0 362.404 -0.053 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1 ZINC000809551057 660997503 /nfs/dbraw/zinc/99/75/03/660997503.db2.gz OGZSGPVQAAKTSF-NSHDSACASA-N -1 0 351.402 -0.128 20 0 FBADRM O=C([O-])c1ccc2[nH]c(CCNS(=O)(=O)N3CCOCC3)nc2c1 ZINC000809552300 660997468 /nfs/dbraw/zinc/99/74/68/660997468.db2.gz DRCDBMHNZQVNEB-UHFFFAOYSA-N -1 0 354.388 -0.030 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1 ZINC000809553046 660997453 /nfs/dbraw/zinc/99/74/53/660997453.db2.gz PSPRLJPHIJWKLW-NSHDSACASA-N -1 0 366.417 -0.623 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000809676507 660997752 /nfs/dbraw/zinc/99/77/52/660997752.db2.gz AAXOXPXBRLCRND-UHFFFAOYSA-N -1 0 356.354 -0.632 20 0 FBADRM CCOC1CC(CNC(=O)C(=O)[N-]OCCOC)(N2CCOCC2)C1 ZINC000809811820 660998015 /nfs/dbraw/zinc/99/80/15/660998015.db2.gz QXSZTDRKIANPLW-UHFFFAOYSA-N -1 0 359.423 -0.933 20 0 FBADRM CNC(=O)[C@H](O)C[N-]S(=O)(=O)c1nc(C)c(Br)s1 ZINC000809835101 660997911 /nfs/dbraw/zinc/99/79/11/660997911.db2.gz AEAPKVFFXDPOLW-RXMQYKEDSA-N -1 0 358.239 -0.401 20 0 FBADRM CNC(=O)[C@@H](O)C[N-]S(=O)(=O)c1nc(C)c(Br)s1 ZINC000809835103 660998127 /nfs/dbraw/zinc/99/81/27/660998127.db2.gz AEAPKVFFXDPOLW-YFKPBYRVSA-N -1 0 358.239 -0.401 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000809872024 660998817 /nfs/dbraw/zinc/99/88/17/660998817.db2.gz QQFQUXYDFXUFRJ-CYBMUJFWSA-N -1 0 353.423 -0.102 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000809872025 660999010 /nfs/dbraw/zinc/99/90/10/660999010.db2.gz QQFQUXYDFXUFRJ-ZDUSSCGKSA-N -1 0 353.423 -0.102 20 0 FBADRM O=C(NCCS(=O)(=O)NCCc1nc(=O)o[n-]1)OCc1ccccc1 ZINC000810075998 661000181 /nfs/dbraw/zinc/00/01/81/661000181.db2.gz YGRRSEXXPNZFPQ-UHFFFAOYSA-N -1 0 370.387 -0.249 20 0 FBADRM O=c1nc(CCNS(=O)(=O)c2ccc(N3CCOC3=O)cc2)[n-]o1 ZINC000810076014 660999978 /nfs/dbraw/zinc/99/99/78/660999978.db2.gz YXEMDHVTPIGVAS-UHFFFAOYSA-N -1 0 354.344 -0.160 20 0 FBADRM COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000810076545 661000147 /nfs/dbraw/zinc/00/01/47/661000147.db2.gz IBCBXTBAFSCILI-UHFFFAOYSA-N -1 0 362.751 -0.281 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CC(n2cncn2)C1 ZINC000810327913 661000981 /nfs/dbraw/zinc/00/09/81/661000981.db2.gz DFHFNVLIJLKSGM-UHFFFAOYSA-N -1 0 357.342 -0.082 20 0 FBADRM COC(=O)CCCO[N-]C(=O)C(=O)Nc1cccc2c1OCC(=O)N2 ZINC000810414766 661001360 /nfs/dbraw/zinc/00/13/60/661001360.db2.gz DJHYEJTVKKXVTF-UHFFFAOYSA-N -1 0 351.315 -0.043 20 0 FBADRM Cn1cc([C@H](O)CNC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)cn1 ZINC000810440207 661001553 /nfs/dbraw/zinc/00/15/53/661001553.db2.gz KFWUUBRGWTXNQY-GFCCVEGCSA-N -1 0 374.369 -0.174 20 0 FBADRM Cn1cc([C@@H](O)CNC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)cn1 ZINC000810440211 661001598 /nfs/dbraw/zinc/00/15/98/661001598.db2.gz KFWUUBRGWTXNQY-LBPRGKRZSA-N -1 0 374.369 -0.174 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)C(=O)[N-]OC/C=C\Cl)cnc2n(C)c1=O ZINC000810500066 661002182 /nfs/dbraw/zinc/00/21/82/661002182.db2.gz BIBUIRJBGQDJQU-ARJAWSKDSA-N -1 0 367.749 -0.629 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)C(=O)[N-]OC/C=C/Cl)cnc2n(C)c1=O ZINC000810500067 661002009 /nfs/dbraw/zinc/00/20/09/661002009.db2.gz BIBUIRJBGQDJQU-ONEGZZNKSA-N -1 0 367.749 -0.629 20 0 FBADRM O=C([N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)c1cc2n(n1)CCO2 ZINC000810516347 661002196 /nfs/dbraw/zinc/00/21/96/661002196.db2.gz KPSPSPOSTOZXKV-UHFFFAOYSA-N -1 0 361.343 -0.630 20 0 FBADRM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)c1ncn(C)n1 ZINC000810517392 661002177 /nfs/dbraw/zinc/00/21/77/661002177.db2.gz YJLRSMARXCJCCZ-UHFFFAOYSA-N -1 0 353.360 -0.099 20 0 FBADRM COc1cccnc1CC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000810518432 661002057 /nfs/dbraw/zinc/00/20/57/661002057.db2.gz BFXZYDQVIYDQIK-UHFFFAOYSA-N -1 0 352.372 -0.425 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2nnc3ccccc3n2)cc1C(N)=O ZINC000810518565 661002161 /nfs/dbraw/zinc/00/21/61/661002161.db2.gz IHPSVLPKCGVLQH-UHFFFAOYSA-N -1 0 360.355 -0.419 20 0 FBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)n1 ZINC000810518745 661002127 /nfs/dbraw/zinc/00/21/27/661002127.db2.gz QNCGANVURSBUAD-UHFFFAOYSA-N -1 0 363.355 -0.829 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c(C2CC2)n1 ZINC000810518784 661002110 /nfs/dbraw/zinc/00/21/10/661002110.db2.gz SEGXXZSTWGVVCY-UHFFFAOYSA-N -1 0 351.388 -0.146 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCO2 ZINC000810518992 661002027 /nfs/dbraw/zinc/00/20/27/661002027.db2.gz AUGIALZBIXVPNW-UHFFFAOYSA-N -1 0 365.371 -0.509 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)c2cnn(C)c2)c1 ZINC000810521551 661002041 /nfs/dbraw/zinc/00/20/41/661002041.db2.gz JYQAKWWPFVKGCF-UHFFFAOYSA-N -1 0 366.399 -0.408 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)c1 ZINC000810536323 661002131 /nfs/dbraw/zinc/00/21/31/661002131.db2.gz QFDLKIOSSGQQCO-UHFFFAOYSA-N -1 0 371.396 -0.202 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)CCCCC(N)=O)c1 ZINC000810537179 661002172 /nfs/dbraw/zinc/00/21/72/661002172.db2.gz XLOHBNSTKKSOKZ-UHFFFAOYSA-N -1 0 366.403 -0.272 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)Cc2ncccc2OC)CC1 ZINC000810546949 661002101 /nfs/dbraw/zinc/00/21/01/661002101.db2.gz KNFIJZUCWQVXHU-UHFFFAOYSA-N -1 0 371.415 -0.121 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)N2CCCC2)c1 ZINC000810547371 661002095 /nfs/dbraw/zinc/00/20/95/661002095.db2.gz ACLLJGSWXKUGMC-UHFFFAOYSA-N -1 0 355.416 -0.189 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)CC1 ZINC000810547555 661002157 /nfs/dbraw/zinc/00/21/57/661002157.db2.gz ZRGHRGQRLGUUSL-UHFFFAOYSA-N -1 0 358.376 -0.865 20 0 FBADRM NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)cc1 ZINC000810550051 661002184 /nfs/dbraw/zinc/00/21/84/661002184.db2.gz UBFOTSZVACOYBB-UHFFFAOYSA-N -1 0 365.371 -0.438 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)c2ncn(C)n2)s1 ZINC000810556930 661002035 /nfs/dbraw/zinc/00/20/35/661002035.db2.gz GXNZYVFKCHIYGX-UHFFFAOYSA-N -1 0 357.417 -0.326 20 0 FBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)N2CCN(Cc3ccccc3)CC2)n1 ZINC000810562017 661002144 /nfs/dbraw/zinc/00/21/44/661002144.db2.gz HOWMEZQEJXRSNH-UHFFFAOYSA-N -1 0 364.431 -0.393 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCO2 ZINC000810574495 661002118 /nfs/dbraw/zinc/00/21/18/661002118.db2.gz VUCRZGCRBQBEMB-JTQLQIEISA-N -1 0 358.376 -0.722 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCO2 ZINC000810574496 661002066 /nfs/dbraw/zinc/00/20/66/661002066.db2.gz VUCRZGCRBQBEMB-SNVBAGLBSA-N -1 0 358.376 -0.722 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)Cc1cccc(OCC(=O)NC)c1 ZINC000810578402 661002322 /nfs/dbraw/zinc/00/23/22/661002322.db2.gz DKPVFEIAVVRMDD-UHFFFAOYSA-N -1 0 358.416 -0.164 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)cc1C(N)=O ZINC000810580692 661002463 /nfs/dbraw/zinc/00/24/63/661002463.db2.gz IMMKXKIFPUKLRM-UHFFFAOYSA-N -1 0 350.356 -0.198 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1c(Br)nnn1C ZINC000810583829 661002336 /nfs/dbraw/zinc/00/23/36/661002336.db2.gz GIRDHUQPXLWPFU-UHFFFAOYSA-N -1 0 369.197 -0.410 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c1 ZINC000810584283 661002410 /nfs/dbraw/zinc/00/24/10/661002410.db2.gz CBIXJHMGHHZKKU-CYBMUJFWSA-N -1 0 356.400 -0.411 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1 ZINC000810584284 661002406 /nfs/dbraw/zinc/00/24/06/661002406.db2.gz CBIXJHMGHHZKKU-ZDUSSCGKSA-N -1 0 356.400 -0.411 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)[C@H](C)COC)c1 ZINC000810585568 661002459 /nfs/dbraw/zinc/00/24/59/661002459.db2.gz ZBKIDSNXCPJZBE-LLVKDONJSA-N -1 0 358.416 -0.165 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)[C@@H](C)COC)c1 ZINC000810585569 661002371 /nfs/dbraw/zinc/00/23/71/661002371.db2.gz ZBKIDSNXCPJZBE-NSHDSACASA-N -1 0 358.416 -0.165 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)cc1 ZINC000810587265 661002359 /nfs/dbraw/zinc/00/23/59/661002359.db2.gz WCUQJVZRUJTFIZ-UHFFFAOYSA-N -1 0 371.396 -0.202 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)c1cc2n(n1)CCO2 ZINC000810587523 661002378 /nfs/dbraw/zinc/00/23/78/661002378.db2.gz BUBCMOOWBQSTOQ-UHFFFAOYSA-N -1 0 362.367 -0.320 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)N2CCOCC2)c1 ZINC000810597577 661002293 /nfs/dbraw/zinc/00/22/93/661002293.db2.gz FSRZXCSFNDLKOL-UHFFFAOYSA-N -1 0 371.415 -0.953 20 0 FBADRM CS(=O)(=O)c1ccccc1CC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000810597732 661002315 /nfs/dbraw/zinc/00/23/15/661002315.db2.gz LUJNHMYNFNRPER-UHFFFAOYSA-N -1 0 362.429 -0.674 20 0 FBADRM Cc1cc(=O)cc(C)n1CCCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000810597918 661002265 /nfs/dbraw/zinc/00/22/65/661002265.db2.gz RRJANPKQQIHDDC-UHFFFAOYSA-N -1 0 357.432 -0.061 20 0 FBADRM Cc1cc(C(F)(F)F)nn1CC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000810598258 661002331 /nfs/dbraw/zinc/00/23/31/661002331.db2.gz ZUBFFYHXXGYUOM-UHFFFAOYSA-N -1 0 356.326 -0.096 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cn(C3CCOCC3)nn2)cn1 ZINC000810611267 661002343 /nfs/dbraw/zinc/00/23/43/661002343.db2.gz UCCRYDAJHUYEQK-UHFFFAOYSA-N -1 0 354.392 -0.035 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2c(Br)nnn2C)cn1 ZINC000810611456 661002446 /nfs/dbraw/zinc/00/24/46/661002446.db2.gz YJMLMORSWCBRGD-UHFFFAOYSA-N -1 0 363.197 -0.087 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)N(C)CCOC)c1 ZINC000810625321 661002381 /nfs/dbraw/zinc/00/23/81/661002381.db2.gz FLBZTDKSCJMANL-UHFFFAOYSA-N -1 0 373.431 -0.707 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1c(Br)nnn1C ZINC000810625999 661002397 /nfs/dbraw/zinc/00/23/97/661002397.db2.gz SVEUUNAJWBOPKA-UHFFFAOYSA-N -1 0 356.202 -0.870 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cc1ccccc1S(C)(=O)=O ZINC000810626295 661002284 /nfs/dbraw/zinc/00/22/84/661002284.db2.gz XWNFXTGMLMYALZ-UHFFFAOYSA-N -1 0 364.445 -0.428 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)c2cnccn2)c1 ZINC000810628022 661002243 /nfs/dbraw/zinc/00/22/43/661002243.db2.gz RFKJAJGWPLWAOG-UHFFFAOYSA-N -1 0 364.383 -0.351 20 0 FBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)n1 ZINC000810631319 661002431 /nfs/dbraw/zinc/00/24/31/661002431.db2.gz IBWSVCPPZYLTFS-UHFFFAOYSA-N -1 0 371.762 -0.082 20 0 FBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000810634383 661002403 /nfs/dbraw/zinc/00/24/03/661002403.db2.gz HWISIOCCDMPUQU-SECBINFHSA-N -1 0 359.408 -0.116 20 0 FBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000810634388 661002297 /nfs/dbraw/zinc/00/22/97/661002297.db2.gz HWISIOCCDMPUQU-VIFPVBQESA-N -1 0 359.408 -0.116 20 0 FBADRM COC(=O)N1CC(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000810636014 661002390 /nfs/dbraw/zinc/00/23/90/661002390.db2.gz UTNCCXMQSVZLHH-UHFFFAOYSA-N -1 0 363.342 -0.190 20 0 FBADRM COc1cccnc1CC(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000810644008 661002352 /nfs/dbraw/zinc/00/23/52/661002352.db2.gz SUEGIHMACQFQNS-UHFFFAOYSA-N -1 0 371.400 -0.052 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)nc1 ZINC000810644341 661002441 /nfs/dbraw/zinc/00/24/41/661002441.db2.gz YGQSMFWJQGQBJO-UHFFFAOYSA-N -1 0 366.355 -0.034 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)s1 ZINC000810644342 661002470 /nfs/dbraw/zinc/00/24/70/661002470.db2.gz YICZBJCROBAGHO-UHFFFAOYSA-N -1 0 358.361 -0.796 20 0 FBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)n1 ZINC000810651899 661002454 /nfs/dbraw/zinc/00/24/54/661002454.db2.gz TVLLQZGACHEYQP-UHFFFAOYSA-N -1 0 373.778 -0.549 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)cc1 ZINC000810657706 661002601 /nfs/dbraw/zinc/00/26/01/661002601.db2.gz RFPHXSKHLXTVKN-UHFFFAOYSA-N -1 0 350.356 -0.246 20 0 FBADRM Cn1nnc(Br)c1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000810662448 661002599 /nfs/dbraw/zinc/00/25/99/661002599.db2.gz KAPGSFZUFZDCTN-LURJTMIESA-N -1 0 353.198 -0.184 20 0 FBADRM Cn1nnc(Br)c1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000810662449 661002639 /nfs/dbraw/zinc/00/26/39/661002639.db2.gz KAPGSFZUFZDCTN-ZCFIWIBFSA-N -1 0 353.198 -0.184 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)c1 ZINC000810662718 661002709 /nfs/dbraw/zinc/00/27/09/661002709.db2.gz OJYQKNHGGKPWOQ-AWEZNQCLSA-N -1 0 370.427 -0.021 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)c1 ZINC000810662719 661002609 /nfs/dbraw/zinc/00/26/09/661002609.db2.gz OJYQKNHGGKPWOQ-CQSZACIVSA-N -1 0 370.427 -0.021 20 0 FBADRM Cn1nnc(Br)c1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000810664392 661002604 /nfs/dbraw/zinc/00/26/04/661002604.db2.gz SUEPHUHQOIXQDQ-LURJTMIESA-N -1 0 353.198 -0.184 20 0 FBADRM Cn1nnc(Br)c1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000810664394 661002683 /nfs/dbraw/zinc/00/26/83/661002683.db2.gz SUEPHUHQOIXQDQ-ZCFIWIBFSA-N -1 0 353.198 -0.184 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000810664539 661002680 /nfs/dbraw/zinc/00/26/80/661002680.db2.gz WBVHQYRVIFNBDM-AWEZNQCLSA-N -1 0 370.427 -0.021 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000810664540 661002675 /nfs/dbraw/zinc/00/26/75/661002675.db2.gz WBVHQYRVIFNBDM-CQSZACIVSA-N -1 0 370.427 -0.021 20 0 FBADRM CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000810667999 661002686 /nfs/dbraw/zinc/00/26/86/661002686.db2.gz KPBNKJWGDWURQJ-SECBINFHSA-N -1 0 353.372 -0.877 20 0 FBADRM CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000810668000 661002580 /nfs/dbraw/zinc/00/25/80/661002580.db2.gz KPBNKJWGDWURQJ-VIFPVBQESA-N -1 0 353.372 -0.877 20 0 FBADRM CC[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CCN1C(=O)OC(C)(C)C ZINC000810668139 661002666 /nfs/dbraw/zinc/00/26/66/661002666.db2.gz LYLUASDHGKIVTO-NXEZZACHSA-N -1 0 363.436 -0.047 20 0 FBADRM CC[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CCN1C(=O)OC(C)(C)C ZINC000810668140 661002701 /nfs/dbraw/zinc/00/27/01/661002701.db2.gz LYLUASDHGKIVTO-UWVGGRQHSA-N -1 0 363.436 -0.047 20 0 FBADRM CC[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CCN1C(=O)OC(C)(C)C ZINC000810668141 661002611 /nfs/dbraw/zinc/00/26/11/661002611.db2.gz LYLUASDHGKIVTO-VHSXEESVSA-N -1 0 363.436 -0.047 20 0 FBADRM CC[C@H]1[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CCN1C(=O)OC(C)(C)C ZINC000810668142 661002591 /nfs/dbraw/zinc/00/25/91/661002591.db2.gz LYLUASDHGKIVTO-ZJUUUORDSA-N -1 0 363.436 -0.047 20 0 FBADRM Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000810668412 661002614 /nfs/dbraw/zinc/00/26/14/661002614.db2.gz QMRFUAKYNRSWNB-UHFFFAOYSA-N -1 0 362.717 -0.205 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCO2 ZINC000810669164 661002567 /nfs/dbraw/zinc/00/25/67/661002567.db2.gz NLMCKTJEEYPFCF-UHFFFAOYSA-N -1 0 358.357 -0.363 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccccc1S(C)(=O)=O ZINC000810671606 661002631 /nfs/dbraw/zinc/00/26/31/661002631.db2.gz VHSGZMBEMBGAHN-SECBINFHSA-N -1 0 363.413 -0.360 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccccc1S(C)(=O)=O ZINC000810671607 661002596 /nfs/dbraw/zinc/00/25/96/661002596.db2.gz VHSGZMBEMBGAHN-VIFPVBQESA-N -1 0 363.413 -0.360 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)c1 ZINC000810671903 661002659 /nfs/dbraw/zinc/00/26/59/661002659.db2.gz YJLIYIUZXXJRHL-JTQLQIEISA-N -1 0 372.399 -0.639 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)c1 ZINC000810671904 661002665 /nfs/dbraw/zinc/00/26/65/661002665.db2.gz YJLIYIUZXXJRHL-SNVBAGLBSA-N -1 0 372.399 -0.639 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)c2ccnn2C)c1 ZINC000810677066 661002584 /nfs/dbraw/zinc/00/25/84/661002584.db2.gz DGHMTEJSUGZAAG-UHFFFAOYSA-N -1 0 366.399 -0.408 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(C2CCOCC2)nn1 ZINC000810681553 661002692 /nfs/dbraw/zinc/00/26/92/661002692.db2.gz KNMDAGBQAFSTMF-NXEZZACHSA-N -1 0 374.419 -0.113 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(C2CCOCC2)nn1 ZINC000810681556 661002558 /nfs/dbraw/zinc/00/25/58/661002558.db2.gz KNMDAGBQAFSTMF-UWVGGRQHSA-N -1 0 374.419 -0.113 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(C2CCOCC2)nn1 ZINC000810681558 661002623 /nfs/dbraw/zinc/00/26/23/661002623.db2.gz KNMDAGBQAFSTMF-VHSXEESVSA-N -1 0 374.419 -0.113 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(C2CCOCC2)nn1 ZINC000810681560 661002613 /nfs/dbraw/zinc/00/26/13/661002613.db2.gz KNMDAGBQAFSTMF-ZJUUUORDSA-N -1 0 374.419 -0.113 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000810681733 661002696 /nfs/dbraw/zinc/00/26/96/661002696.db2.gz MNOWEUYVTOYMDS-BBBLOLIVSA-N -1 0 358.420 -0.436 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC000810681741 661002563 /nfs/dbraw/zinc/00/25/63/661002563.db2.gz MNOWEUYVTOYMDS-KXUCPTDWSA-N -1 0 358.420 -0.436 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC000810681742 661002608 /nfs/dbraw/zinc/00/26/08/661002608.db2.gz MNOWEUYVTOYMDS-OPRDCNLKSA-N -1 0 358.420 -0.436 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000810681743 661002705 /nfs/dbraw/zinc/00/27/05/661002705.db2.gz MNOWEUYVTOYMDS-UTLUCORTSA-N -1 0 358.420 -0.436 20 0 FBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)n1 ZINC000810695943 661002874 /nfs/dbraw/zinc/00/28/74/661002874.db2.gz DQNCMAOQMUNCTG-UHFFFAOYSA-N -1 0 350.360 -0.876 20 0 FBADRM COc1cc(OC)c(S(=O)(=O)[N-]C(=O)c2ncn(C)n2)c(OC)c1 ZINC000810697339 661002867 /nfs/dbraw/zinc/00/28/67/661002867.db2.gz FNALSDDFQIGNGC-UHFFFAOYSA-N -1 0 356.360 -0.040 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)SCC(=O)N2 ZINC000810705131 661003068 /nfs/dbraw/zinc/00/30/68/661003068.db2.gz RLXWUEFVIBAGLE-UHFFFAOYSA-N -1 0 353.385 -0.022 20 0 FBADRM Cc1cc(C(F)(F)F)nn1CC(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000810705779 661002885 /nfs/dbraw/zinc/00/28/85/661002885.db2.gz YEEIBDLZABXZDT-UHFFFAOYSA-N -1 0 352.298 -0.156 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)c2cc[nH]n2)c1 ZINC000810706983 661003000 /nfs/dbraw/zinc/00/30/00/661003000.db2.gz AMSDKUGXNDGYTK-UHFFFAOYSA-N -1 0 352.372 -0.418 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)CCCCC(N)=O)cc2C1=O ZINC000810707685 661003062 /nfs/dbraw/zinc/00/30/62/661003062.db2.gz WGRIVTDKMRRGFS-UHFFFAOYSA-N -1 0 367.383 -0.237 20 0 FBADRM COC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)c2ncn(C)n2)s1 ZINC000810710927 661002917 /nfs/dbraw/zinc/00/29/17/661002917.db2.gz WZOLHRSHNSZYFN-UHFFFAOYSA-N -1 0 373.416 -0.106 20 0 FBADRM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C(=O)c2ncn(C)n2)c1F ZINC000810716137 661002842 /nfs/dbraw/zinc/00/28/42/661002842.db2.gz VZHBGXAIMRSYQW-UHFFFAOYSA-N -1 0 360.298 -0.001 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3nnn(C)c3C2)cn1 ZINC000810719439 661002836 /nfs/dbraw/zinc/00/28/36/661002836.db2.gz KOLYUOGUFZRJOD-SECBINFHSA-N -1 0 351.388 -0.171 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCc3nnn(C)c3C2)cn1 ZINC000810719440 661002934 /nfs/dbraw/zinc/00/29/34/661002934.db2.gz KOLYUOGUFZRJOD-VIFPVBQESA-N -1 0 351.388 -0.171 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)C[C@@H](C)OC)c1 ZINC000810722286 661002965 /nfs/dbraw/zinc/00/29/65/661002965.db2.gz MRHSQGQPEOHJGW-LLVKDONJSA-N -1 0 358.416 -0.165 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)C[C@H](C)OC)c1 ZINC000810722288 661003072 /nfs/dbraw/zinc/00/30/72/661003072.db2.gz MRHSQGQPEOHJGW-NSHDSACASA-N -1 0 358.416 -0.165 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)cc1 ZINC000810823579 661003777 /nfs/dbraw/zinc/00/37/77/661003777.db2.gz SKUHFQLKGNMODZ-UHFFFAOYSA-N -1 0 364.383 -0.105 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)s1 ZINC000810825117 661003730 /nfs/dbraw/zinc/00/37/30/661003730.db2.gz KITYJNJHMPSFNY-UHFFFAOYSA-N -1 0 357.373 -0.191 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1sccc1-n1cnnn1 ZINC000810826885 661003761 /nfs/dbraw/zinc/00/37/61/661003761.db2.gz HSUOMBWDIIOSGH-UHFFFAOYSA-N -1 0 355.361 -0.279 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC000810827388 661003767 /nfs/dbraw/zinc/00/37/67/661003767.db2.gz OBSVJECOBLLSDT-UHFFFAOYSA-N -1 0 365.375 -0.182 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1c(Br)nnn1C ZINC000810827714 661003745 /nfs/dbraw/zinc/00/37/45/661003745.db2.gz RJAIMBVVQNZVFX-UHFFFAOYSA-N -1 0 365.169 -0.425 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000810827982 661003758 /nfs/dbraw/zinc/00/37/58/661003758.db2.gz DTUUHMJIUSDUEH-UHFFFAOYSA-N -1 0 363.355 -0.069 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000810828103 661003791 /nfs/dbraw/zinc/00/37/91/661003791.db2.gz FTHGGLVQNRSCTF-UHFFFAOYSA-N -1 0 354.410 -0.958 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)(F)F ZINC000810828238 661003788 /nfs/dbraw/zinc/00/37/88/661003788.db2.gz KUDBDIJLEGHIQO-SSDOTTSWSA-N -1 0 372.325 -0.367 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000810828239 661003712 /nfs/dbraw/zinc/00/37/12/661003712.db2.gz KUDBDIJLEGHIQO-ZETCQYMHSA-N -1 0 372.325 -0.367 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)c2c(C)onc2N)C1=O ZINC000810828321 661003804 /nfs/dbraw/zinc/00/38/04/661003804.db2.gz OYORUFDOASZHFO-UHFFFAOYSA-N -1 0 373.391 -0.519 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CCCNC(=O)c1cccnc1 ZINC000810828541 661003627 /nfs/dbraw/zinc/00/36/27/661003627.db2.gz VWTQPPHVHGXAIU-UHFFFAOYSA-N -1 0 367.387 -0.025 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cn(CC2(C)COC2)nn1 ZINC000810828586 661003807 /nfs/dbraw/zinc/00/38/07/661003807.db2.gz XYJNGUYHSWSQTC-UHFFFAOYSA-N -1 0 356.364 -0.688 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1ccccc1OCC(N)=O ZINC000810828683 661003735 /nfs/dbraw/zinc/00/37/35/661003735.db2.gz DUDGHVWIQQSNSQ-UHFFFAOYSA-N -1 0 354.344 -0.452 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)COc1ccc(C(N)=O)cc1 ZINC000810828992 661003695 /nfs/dbraw/zinc/00/36/95/661003695.db2.gz VPGPGCNTYGUOAP-UHFFFAOYSA-N -1 0 354.344 -0.452 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CN1c2ccccc2OCC1=O ZINC000810829055 661003794 /nfs/dbraw/zinc/00/37/94/661003794.db2.gz YNSCBRMATQFNBD-UHFFFAOYSA-N -1 0 366.355 -0.204 20 0 FBADRM COc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)c2c(N)noc2C)cc1 ZINC000810829276 661003721 /nfs/dbraw/zinc/00/37/21/661003721.db2.gz ITCZBLOAIUOVOM-UHFFFAOYSA-N -1 0 368.371 -0.191 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)F ZINC000810829279 661003771 /nfs/dbraw/zinc/00/37/71/661003771.db2.gz IUVHDEALSSVGOR-SSDOTTSWSA-N -1 0 354.335 -0.664 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)F ZINC000810829280 661003783 /nfs/dbraw/zinc/00/37/83/661003783.db2.gz IUVHDEALSSVGOR-ZETCQYMHSA-N -1 0 354.335 -0.664 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000810829589 661003644 /nfs/dbraw/zinc/00/36/44/661003644.db2.gz AQDIMVJRTJQSCT-UHFFFAOYSA-N -1 0 363.373 -0.178 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000810829593 661003741 /nfs/dbraw/zinc/00/37/41/661003741.db2.gz DERJIXCKAHFMEO-LURJTMIESA-N -1 0 370.309 -0.219 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000810829596 661003764 /nfs/dbraw/zinc/00/37/64/661003764.db2.gz DERJIXCKAHFMEO-ZCFIWIBFSA-N -1 0 370.309 -0.219 20 0 FBADRM Cc1nn(C)c(-n2cccn2)c1C(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000810829804 661003757 /nfs/dbraw/zinc/00/37/57/661003757.db2.gz UEYWRHCDGSKARQ-UHFFFAOYSA-N -1 0 365.375 -0.088 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cncc(N2CCOCC2)c1 ZINC000810829882 661003661 /nfs/dbraw/zinc/00/36/61/661003661.db2.gz HCRHYCUAFQSCCY-UHFFFAOYSA-N -1 0 367.387 -0.084 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000810830047 661003800 /nfs/dbraw/zinc/00/38/00/661003800.db2.gz IUIBGTVVXADPBD-CYBMUJFWSA-N -1 0 371.375 -0.909 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000810830048 661004046 /nfs/dbraw/zinc/00/40/46/661004046.db2.gz IUIBGTVVXADPBD-ZDUSSCGKSA-N -1 0 371.375 -0.909 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000810830354 661003965 /nfs/dbraw/zinc/00/39/65/661003965.db2.gz OTFSFJBSKOESMP-UHFFFAOYSA-N -1 0 367.343 -0.168 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CSc1nnnn1C1CC1 ZINC000810830424 661004040 /nfs/dbraw/zinc/00/40/40/661004040.db2.gz RBKHSWWVGQAZKD-UHFFFAOYSA-N -1 0 359.393 -0.516 20 0 FBADRM CNC(=O)c1cncc(/C=C\C(=O)[N-]S(=O)(=O)c2c(N)noc2C)c1 ZINC000810830430 661004058 /nfs/dbraw/zinc/00/40/58/661004058.db2.gz RGUVFCNVRXLNIG-ARJAWSKDSA-N -1 0 365.371 -0.162 20 0 FBADRM CNC(=O)c1cncc(/C=C/C(=O)[N-]S(=O)(=O)c2c(N)noc2C)c1 ZINC000810830431 661003996 /nfs/dbraw/zinc/00/39/96/661003996.db2.gz RGUVFCNVRXLNIG-ONEGZZNKSA-N -1 0 365.371 -0.162 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)nc1 ZINC000810830477 661003934 /nfs/dbraw/zinc/00/39/34/661003934.db2.gz QLYIUJXKOFNORT-UHFFFAOYSA-N -1 0 367.387 -0.084 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC000810830629 661004011 /nfs/dbraw/zinc/00/40/11/661004011.db2.gz VFNUXKVINPVESZ-UHFFFAOYSA-N -1 0 369.388 -0.146 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000810830968 661003962 /nfs/dbraw/zinc/00/39/62/661003962.db2.gz HTWFIOHCCLWUGZ-UHFFFAOYSA-N -1 0 363.359 -0.411 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000810831225 661004055 /nfs/dbraw/zinc/00/40/55/661004055.db2.gz UNHSNBGFHMVCAV-DTORHVGOSA-N -1 0 370.387 -0.455 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000810831226 661004031 /nfs/dbraw/zinc/00/40/31/661004031.db2.gz UNHSNBGFHMVCAV-IUCAKERBSA-N -1 0 370.387 -0.455 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000810831227 661003937 /nfs/dbraw/zinc/00/39/37/661003937.db2.gz UNHSNBGFHMVCAV-RKDXNWHRSA-N -1 0 370.387 -0.455 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)Cn1nnc2ccccc2c1=O ZINC000810831307 661004013 /nfs/dbraw/zinc/00/40/13/661004013.db2.gz YINIKFIBRQPOIR-UHFFFAOYSA-N -1 0 364.343 -0.825 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000810831320 661003943 /nfs/dbraw/zinc/00/39/43/661003943.db2.gz ZGZDDFRVHHTXNH-UHFFFAOYSA-N -1 0 370.391 -0.109 20 0 FBADRM COc1c2cnn(C)c2ncc1C(=O)[N-]S(=O)(=O)c1c(N)noc1C ZINC000810831393 661004032 /nfs/dbraw/zinc/00/40/32/661004032.db2.gz CKOFJTBHIQDBMA-UHFFFAOYSA-N -1 0 366.359 -0.026 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)Cn1c2ccccc2n(C)c1=O ZINC000810831559 661004048 /nfs/dbraw/zinc/00/40/48/661004048.db2.gz KQRNJIYMKYRLQJ-UHFFFAOYSA-N -1 0 365.371 -0.276 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000810831624 661004022 /nfs/dbraw/zinc/00/40/22/661004022.db2.gz NZTOTSJARRQCJT-UHFFFAOYSA-N -1 0 371.375 -0.765 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000810831774 661003910 /nfs/dbraw/zinc/00/39/10/661003910.db2.gz SLGGGVLVGIBVLS-UHFFFAOYSA-N -1 0 350.316 -0.272 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000810831858 661004060 /nfs/dbraw/zinc/00/40/60/661004060.db2.gz BSRFGHXSHOLNLH-UHFFFAOYSA-N -1 0 351.406 -0.415 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)Cn1c(=O)cnc2ccccc21 ZINC000810831879 661004052 /nfs/dbraw/zinc/00/40/52/661004052.db2.gz CEDWOJAKKPRXQN-UHFFFAOYSA-N -1 0 363.355 -0.220 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cn(C2CCOCC2)nn1 ZINC000810831908 661003979 /nfs/dbraw/zinc/00/39/79/661003979.db2.gz CXPCIVIHYNLGTM-UHFFFAOYSA-N -1 0 356.364 -0.373 20 0 FBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2c(C)onc2N)CCOCC1 ZINC000810831930 661003982 /nfs/dbraw/zinc/00/39/82/661003982.db2.gz DZMFKDHSQGNVKJ-UHFFFAOYSA-N -1 0 361.376 -0.270 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@H](C)Sc1nnnn1C1CC1 ZINC000810831980 661004034 /nfs/dbraw/zinc/00/40/34/661004034.db2.gz HFRJTQTWILENKD-LURJTMIESA-N -1 0 373.420 -0.128 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nnnn1C1CC1 ZINC000810831981 661003905 /nfs/dbraw/zinc/00/39/05/661003905.db2.gz HFRJTQTWILENKD-ZCFIWIBFSA-N -1 0 373.420 -0.128 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)c(C)c1 ZINC000810832089 661004009 /nfs/dbraw/zinc/00/40/09/661004009.db2.gz JJKWVZOJQIQVFR-UHFFFAOYSA-N -1 0 363.359 -0.032 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@H](C)n1nnnc1C(C)(C)C ZINC000810832172 661003951 /nfs/dbraw/zinc/00/39/51/661003951.db2.gz GVQJZNADHLFKHP-LURJTMIESA-N -1 0 357.396 -0.085 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H](C)n1nnnc1C(C)(C)C ZINC000810832173 661004015 /nfs/dbraw/zinc/00/40/15/661004015.db2.gz GVQJZNADHLFKHP-ZCFIWIBFSA-N -1 0 357.396 -0.085 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(F)cc1 ZINC000810832195 661004002 /nfs/dbraw/zinc/00/40/02/661004002.db2.gz HJYJXKQECXOXDD-UHFFFAOYSA-N -1 0 356.335 -0.061 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cccc(OCC(N)=O)c1 ZINC000810832387 661004037 /nfs/dbraw/zinc/00/40/37/661004037.db2.gz NIADDLPXYJAVKD-UHFFFAOYSA-N -1 0 354.344 -0.452 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CNC(=O)Cc1cccc(F)c1 ZINC000810832760 661003900 /nfs/dbraw/zinc/00/39/00/661003900.db2.gz VKXNBRFPDGNVCH-UHFFFAOYSA-N -1 0 370.362 -0.132 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)cc1 ZINC000810833061 661003929 /nfs/dbraw/zinc/00/39/29/661003929.db2.gz BKZYYHIHINGVPQ-UHFFFAOYSA-N -1 0 354.344 -0.452 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000810833129 661003947 /nfs/dbraw/zinc/00/39/47/661003947.db2.gz FLAWIGHHZBNLAI-MRVPVSSYSA-N -1 0 366.421 -0.816 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000810833130 661003923 /nfs/dbraw/zinc/00/39/23/661003923.db2.gz FLAWIGHHZBNLAI-QMMMGPOBSA-N -1 0 366.421 -0.816 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000810833462 661004026 /nfs/dbraw/zinc/00/40/26/661004026.db2.gz RCMVKLGNFLJGAP-UHFFFAOYSA-N -1 0 373.391 -0.519 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)c2c(C)onc2N)ccc1=O ZINC000810833585 661004333 /nfs/dbraw/zinc/00/43/33/661004333.db2.gz WLAWTBLUFVJNHL-UHFFFAOYSA-N -1 0 356.360 -0.508 20 0 FBADRM CN1C(=O)CN(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1=O ZINC000810838810 661004166 /nfs/dbraw/zinc/00/41/66/661004166.db2.gz XSCOPZBKYSILLR-UHFFFAOYSA-N -1 0 362.314 -0.832 20 0 FBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)n1 ZINC000810864650 661004181 /nfs/dbraw/zinc/00/41/81/661004181.db2.gz AHNFFARDJNJWDA-UHFFFAOYSA-N -1 0 353.335 -0.042 20 0 FBADRM NC(=O)CO[N-]C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000810871944 661004298 /nfs/dbraw/zinc/00/42/98/661004298.db2.gz IECVVVZWCQTWQK-UHFFFAOYSA-N -1 0 356.187 -0.195 20 0 FBADRM NC(=O)CO[N-]C(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000810872050 661004249 /nfs/dbraw/zinc/00/42/49/661004249.db2.gz KJRXTONYIWJLQY-UHFFFAOYSA-N -1 0 366.193 -0.740 20 0 FBADRM NC(=O)CO[N-]C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000810872197 661004231 /nfs/dbraw/zinc/00/42/31/661004231.db2.gz NOUBKGLXVHVQLC-UHFFFAOYSA-N -1 0 356.187 -0.195 20 0 FBADRM NC(=O)CO[N-]C(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000810872578 661004160 /nfs/dbraw/zinc/00/41/60/661004160.db2.gz RKUUZWXXVZUXHO-UHFFFAOYSA-N -1 0 371.293 -0.603 20 0 FBADRM NC(=O)CO[N-]C(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000810872592 661004238 /nfs/dbraw/zinc/00/42/38/661004238.db2.gz RSCRGMHRNKFIGM-UHFFFAOYSA-N -1 0 366.193 -0.740 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCO2 ZINC000810874036 661004195 /nfs/dbraw/zinc/00/41/95/661004195.db2.gz DXZFMWKIHOHULC-UHFFFAOYSA-N -1 0 366.355 -0.498 20 0 FBADRM CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)c1cc2n(n1)CCO2 ZINC000810875415 661004201 /nfs/dbraw/zinc/00/42/01/661004201.db2.gz CLWCJPQVOWCGQM-UHFFFAOYSA-N -1 0 360.392 -0.140 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)CC1 ZINC000810876495 661004186 /nfs/dbraw/zinc/00/41/86/661004186.db2.gz HSMVXCJLBHMXLM-UHFFFAOYSA-N -1 0 372.403 -0.044 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)c2ncn(C)n2)c(Br)n1C ZINC000810879222 661004325 /nfs/dbraw/zinc/00/43/25/661004325.db2.gz MEEIQUREVINOGG-UHFFFAOYSA-N -1 0 363.197 -0.262 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1c(Br)nnn1C ZINC000810880261 661004305 /nfs/dbraw/zinc/00/43/05/661004305.db2.gz ACGZBJHXVWXTGI-UHFFFAOYSA-N -1 0 363.197 -0.262 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CC(n2ccnn2)C1 ZINC000810970300 661005234 /nfs/dbraw/zinc/00/52/34/661005234.db2.gz JNHTWORFFWVNBS-UHFFFAOYSA-N -1 0 357.342 -0.082 20 0 FBADRM COc1ccc(C(=O)COC(=O)CCNS(C)(=O)=O)c2occ([O-])c21 ZINC000811075205 661005812 /nfs/dbraw/zinc/00/58/12/661005812.db2.gz SVCUEPJGAXWJBV-UHFFFAOYSA-N -1 0 371.367 -0.065 20 0 FBADRM COc1ccc(C(=O)COC(=O)CN(C)S(C)(=O)=O)c2occ([O-])c21 ZINC000811076584 661005835 /nfs/dbraw/zinc/00/58/35/661005835.db2.gz VNLYJODZKQJHHD-UHFFFAOYSA-N -1 0 371.367 -0.112 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1sccc1-n1cnnn1 ZINC000811135614 661006054 /nfs/dbraw/zinc/00/60/54/661006054.db2.gz CGBZHDRMJUXZLW-UHFFFAOYSA-N -1 0 373.416 -0.017 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cn(CC2(C)COC2)nn1 ZINC000811135769 661006042 /nfs/dbraw/zinc/00/60/42/661006042.db2.gz JLANGYUEJSZEJL-UHFFFAOYSA-N -1 0 374.419 -0.427 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)Cc1c(C)nc(C)[nH]c1=O ZINC000811135827 661006031 /nfs/dbraw/zinc/00/60/31/661006031.db2.gz LLRDDHJZVLUWRB-UHFFFAOYSA-N -1 0 359.404 -0.013 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1ccccc1OCC(N)=O ZINC000811136183 661006058 /nfs/dbraw/zinc/00/60/58/661006058.db2.gz BLCNQRTZBOQXLH-UHFFFAOYSA-N -1 0 372.399 -0.191 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)COc1ccc(C(N)=O)cc1 ZINC000811136362 661006362 /nfs/dbraw/zinc/00/63/62/661006362.db2.gz FDQDMBYYMHSLPY-UHFFFAOYSA-N -1 0 372.399 -0.191 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)CCN1CCCS1(=O)=O ZINC000811136550 661006238 /nfs/dbraw/zinc/00/62/38/661006238.db2.gz KQMTTYNWLUFLOY-UHFFFAOYSA-N -1 0 370.449 -0.943 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cccn2c(=O)[nH]nc12 ZINC000811137266 661006422 /nfs/dbraw/zinc/00/64/22/661006422.db2.gz WVYKNRKEAKFPKF-UHFFFAOYSA-N -1 0 356.360 -0.306 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000811137357 661006390 /nfs/dbraw/zinc/00/63/90/661006390.db2.gz ZXFWVBTUQWCOSR-UHFFFAOYSA-N -1 0 372.465 -0.697 20 0 FBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC)CC1=O ZINC000811138568 661006409 /nfs/dbraw/zinc/00/64/09/661006409.db2.gz STWSAZGTLOLIDV-JTQLQIEISA-N -1 0 364.420 -0.874 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC)CC1=O ZINC000811138571 661006415 /nfs/dbraw/zinc/00/64/15/661006415.db2.gz STWSAZGTLOLIDV-SNVBAGLBSA-N -1 0 364.420 -0.874 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)F ZINC000811139189 661006354 /nfs/dbraw/zinc/00/63/54/661006354.db2.gz GOPBOCGNSMVZIL-SECBINFHSA-N -1 0 372.390 -0.403 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)F ZINC000811139190 661006384 /nfs/dbraw/zinc/00/63/84/661006384.db2.gz GOPBOCGNSMVZIL-VIFPVBQESA-N -1 0 372.390 -0.403 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC000811139338 661006398 /nfs/dbraw/zinc/00/63/98/661006398.db2.gz NDCUEGYHKNCXFL-SECBINFHSA-N -1 0 358.420 -0.435 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000811139339 661006289 /nfs/dbraw/zinc/00/62/89/661006289.db2.gz NDCUEGYHKNCXFL-VIFPVBQESA-N -1 0 358.420 -0.435 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1ccnc2c1nnn2C ZINC000811139590 661006334 /nfs/dbraw/zinc/00/63/34/661006334.db2.gz PLSATVBMRJNIEC-UHFFFAOYSA-N -1 0 355.376 -0.378 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1 ZINC000811139819 661006371 /nfs/dbraw/zinc/00/63/71/661006371.db2.gz UABVATQESZXXLW-UHFFFAOYSA-N -1 0 367.387 -0.079 20 0 FBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC)cn1 ZINC000811139979 661006418 /nfs/dbraw/zinc/00/64/18/661006418.db2.gz MECPHMAAOPTAOB-UHFFFAOYSA-N -1 0 357.388 -0.300 20 0 FBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC)C(C)C ZINC000811140800 661006337 /nfs/dbraw/zinc/00/63/37/661006337.db2.gz QOOYAJAMPOQPNT-NSHDSACASA-N -1 0 366.436 -0.581 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000811140822 661006306 /nfs/dbraw/zinc/00/63/06/661006306.db2.gz RVPUDDDIZOADIU-UHFFFAOYSA-N -1 0 356.360 -0.306 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000811141082 661006426 /nfs/dbraw/zinc/00/64/26/661006426.db2.gz CJESZPBEQALVCZ-UHFFFAOYSA-N -1 0 368.371 -0.011 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cncc(-n2ccnn2)c1 ZINC000811141140 661006427 /nfs/dbraw/zinc/00/64/27/661006427.db2.gz ASGXOBQKLDUALN-UHFFFAOYSA-N -1 0 367.387 -0.079 20 0 FBADRM COC(=O)CSCCC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000811141414 661006420 /nfs/dbraw/zinc/00/64/20/661006420.db2.gz JLCDPHGVKXODRZ-UHFFFAOYSA-N -1 0 355.434 -0.072 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@H]1CCCCS1(=O)=O ZINC000811142390 661006297 /nfs/dbraw/zinc/00/62/97/661006297.db2.gz GAZOUYRQDFGOSQ-SECBINFHSA-N -1 0 355.434 -0.401 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCCS1(=O)=O ZINC000811142391 661006387 /nfs/dbraw/zinc/00/63/87/661006387.db2.gz GAZOUYRQDFGOSQ-VIFPVBQESA-N -1 0 355.434 -0.401 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cccc(-n2cnnn2)c1 ZINC000811142593 661006424 /nfs/dbraw/zinc/00/64/24/661006424.db2.gz OBYLDKPSLBQLRP-UHFFFAOYSA-N -1 0 367.387 -0.079 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cn(C2CCOCC2)nn1 ZINC000811142744 661006302 /nfs/dbraw/zinc/00/63/02/661006302.db2.gz UQPFPDRPNPRHQC-UHFFFAOYSA-N -1 0 374.419 -0.112 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cccc(OCC(N)=O)c1 ZINC000811142890 661006276 /nfs/dbraw/zinc/00/62/76/661006276.db2.gz AHJIIPKYRUYDEK-UHFFFAOYSA-N -1 0 372.399 -0.191 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O ZINC000811143209 661006256 /nfs/dbraw/zinc/00/62/56/661006256.db2.gz ILTISSZMZIDTOS-UHFFFAOYSA-N -1 0 362.404 -0.439 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000811143680 661006407 /nfs/dbraw/zinc/00/64/07/661006407.db2.gz ZRZPDRMZKPUDRJ-UHFFFAOYSA-N -1 0 369.461 -0.154 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@]12CCC(=O)N1CCS2 ZINC000811143984 661006271 /nfs/dbraw/zinc/00/62/71/661006271.db2.gz LXDAMIFWDBFNCU-CYBMUJFWSA-N -1 0 364.445 -0.303 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@@]12CCC(=O)N1CCS2 ZINC000811143987 661006321 /nfs/dbraw/zinc/00/63/21/661006321.db2.gz LXDAMIFWDBFNCU-ZDUSSCGKSA-N -1 0 364.445 -0.303 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC)ccc1=O ZINC000811144067 661006313 /nfs/dbraw/zinc/00/63/13/661006313.db2.gz DERDNFASMUCHCV-UHFFFAOYSA-N -1 0 374.415 -0.247 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)CCC(=O)N1CCOCC1 ZINC000811144117 661006318 /nfs/dbraw/zinc/00/63/18/661006318.db2.gz NABPCJUNBUKDLC-UHFFFAOYSA-N -1 0 364.420 -0.729 20 0 FBADRM COC(=O)c1cnc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC)cn1 ZINC000811144177 661006324 /nfs/dbraw/zinc/00/63/24/661006324.db2.gz OSFDYHBTILCGPO-UHFFFAOYSA-N -1 0 359.360 -0.478 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000811144387 661006264 /nfs/dbraw/zinc/00/62/64/661006264.db2.gz KJNOTPKMPXCCJO-SECBINFHSA-N -1 0 370.449 -0.944 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000811144389 661006347 /nfs/dbraw/zinc/00/63/47/661006347.db2.gz KJNOTPKMPXCCJO-VIFPVBQESA-N -1 0 370.449 -0.944 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)cc1 ZINC000811144675 661006293 /nfs/dbraw/zinc/00/62/93/661006293.db2.gz NAMZTKMCFAWUDO-UHFFFAOYSA-N -1 0 372.399 -0.191 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000811144755 661006359 /nfs/dbraw/zinc/00/63/59/661006359.db2.gz PJXBKVLQYMNGNS-FGWVZKOKSA-N -1 0 361.416 -0.127 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nncn1C ZINC000811144757 661006349 /nfs/dbraw/zinc/00/63/49/661006349.db2.gz PPUGTZDUBVJXAT-MRVPVSSYSA-N -1 0 364.449 -0.059 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@H](C)Sc1nncn1C ZINC000811144758 661006412 /nfs/dbraw/zinc/00/64/12/661006412.db2.gz PPUGTZDUBVJXAT-QMMMGPOBSA-N -1 0 364.449 -0.059 20 0 FBADRM COCc1cc(Cl)cc(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)c1 ZINC000811147024 661006556 /nfs/dbraw/zinc/00/65/56/661006556.db2.gz CHWKMWZHJLDGMY-UHFFFAOYSA-N -1 0 374.806 -0.113 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)c2cn(Cc3ccccn3)nn2)CC1 ZINC000811151121 661006584 /nfs/dbraw/zinc/00/65/84/661006584.db2.gz GEOPXKMESRDDAR-UHFFFAOYSA-N -1 0 351.388 -0.040 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)c2c(Br)nnn2C)CC1 ZINC000811151433 661006626 /nfs/dbraw/zinc/00/66/26/661006626.db2.gz NLRCVZYGWICCSK-UHFFFAOYSA-N -1 0 353.198 -0.184 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000811151751 661006520 /nfs/dbraw/zinc/00/65/20/661006520.db2.gz AFMHRYSAMSSBBW-UHFFFAOYSA-N -1 0 373.431 -0.134 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)C2(COC)CC2)C1=O ZINC000811151912 661006549 /nfs/dbraw/zinc/00/65/49/661006549.db2.gz HFAWZDVDOFRPQG-UHFFFAOYSA-N -1 0 361.420 -0.278 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000811152204 661006581 /nfs/dbraw/zinc/00/65/81/661006581.db2.gz QXBDEBYUXHFRFQ-UHFFFAOYSA-N -1 0 373.431 -0.134 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)c2ccc(S(=O)(=O)N(C)C)o2)CC1 ZINC000811152247 661006486 /nfs/dbraw/zinc/00/64/86/661006486.db2.gz SHLYGYYMBAPRGZ-UHFFFAOYSA-N -1 0 366.417 -0.232 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)CCn2nnc3ccccc3c2=O)CC1 ZINC000811152501 661006644 /nfs/dbraw/zinc/00/66/44/661006644.db2.gz DEWNKWLXCBUPSV-UHFFFAOYSA-N -1 0 366.399 -0.193 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2CC(F)(F)F)CC1 ZINC000811152681 661006595 /nfs/dbraw/zinc/00/65/95/661006595.db2.gz LUVRLJBDHBXDDS-SECBINFHSA-N -1 0 360.354 -0.126 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2CC(F)(F)F)CC1 ZINC000811152682 661006621 /nfs/dbraw/zinc/00/66/21/661006621.db2.gz LUVRLJBDHBXDDS-VIFPVBQESA-N -1 0 360.354 -0.126 20 0 FBADRM CCS(=O)(=O)NCC(=O)OCC(=O)c1ccc(OC)c2c([O-])coc21 ZINC000811152700 661006528 /nfs/dbraw/zinc/00/65/28/661006528.db2.gz MVSYFAUOXZJQBF-UHFFFAOYSA-N -1 0 371.367 -0.065 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)CC1 ZINC000811154761 661006607 /nfs/dbraw/zinc/00/66/07/661006607.db2.gz QODHOHCFRLDROA-UHFFFAOYSA-N -1 0 366.399 -0.190 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000811154816 661006578 /nfs/dbraw/zinc/00/65/78/661006578.db2.gz SQOOODBRXTUEGB-UHFFFAOYSA-N -1 0 368.371 -0.727 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CC1 ZINC000811156167 661006592 /nfs/dbraw/zinc/00/65/92/661006592.db2.gz SJXYKIMWWYYARZ-UHFFFAOYSA-N -1 0 365.433 -0.496 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000811156583 661006560 /nfs/dbraw/zinc/00/65/60/661006560.db2.gz ZAEVKAHGRVYZNV-CYBMUJFWSA-N -1 0 359.404 -0.668 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 ZINC000811156585 661006629 /nfs/dbraw/zinc/00/66/29/661006629.db2.gz ZAEVKAHGRVYZNV-ZDUSSCGKSA-N -1 0 359.404 -0.668 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000811156647 661006587 /nfs/dbraw/zinc/00/65/87/661006587.db2.gz PPLPXESSDVPGMG-GHMZBOCLSA-N -1 0 358.416 -0.213 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000811156648 661006534 /nfs/dbraw/zinc/00/65/34/661006534.db2.gz PPLPXESSDVPGMG-PHIMTYICSA-N -1 0 358.416 -0.213 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000811156649 661006647 /nfs/dbraw/zinc/00/66/47/661006647.db2.gz PPLPXESSDVPGMG-QWRGUYRKSA-N -1 0 358.416 -0.213 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)c2ccc(OC)c(-n3cnnn3)c2)CC1 ZINC000811156667 661006504 /nfs/dbraw/zinc/00/65/04/661006504.db2.gz FRRWZOSNYIXDQE-UHFFFAOYSA-N -1 0 367.387 -0.091 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)c2ccc(OCC(N)=O)c(OC)c2)CC1 ZINC000811156827 661006492 /nfs/dbraw/zinc/00/64/92/661006492.db2.gz SNDXDALIIADBLU-UHFFFAOYSA-N -1 0 372.399 -0.202 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 ZINC000811156940 661006564 /nfs/dbraw/zinc/00/65/64/661006564.db2.gz ABNRDTIAXGHCON-UHFFFAOYSA-N -1 0 351.388 -0.170 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000811157413 661006476 /nfs/dbraw/zinc/00/64/76/661006476.db2.gz QRGRZPSDKPJDDU-UHFFFAOYSA-N -1 0 370.383 -0.230 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)Cn2nnc3ccccc3c2=O)CC1 ZINC000811157896 661006542 /nfs/dbraw/zinc/00/65/42/661006542.db2.gz VPZSKMDUMTXQGX-UHFFFAOYSA-N -1 0 352.372 -0.584 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000811158138 661006841 /nfs/dbraw/zinc/00/68/41/661006841.db2.gz DUDROFFSGKIZCD-JTQLQIEISA-N -1 0 373.431 -0.136 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000811158139 661006884 /nfs/dbraw/zinc/00/68/84/661006884.db2.gz DUDROFFSGKIZCD-SNVBAGLBSA-N -1 0 373.431 -0.136 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)C2(COC)CC2)CC1 ZINC000811158276 661006857 /nfs/dbraw/zinc/00/68/57/661006857.db2.gz KCFDNDBDTFUGRY-UHFFFAOYSA-N -1 0 368.477 -0.327 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000811158287 661006763 /nfs/dbraw/zinc/00/67/63/661006763.db2.gz KKLBWSABEYPSIK-UHFFFAOYSA-N -1 0 367.383 -0.273 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000811158306 661006860 /nfs/dbraw/zinc/00/68/60/661006860.db2.gz LKWNPYLEXRRKHH-UHFFFAOYSA-N -1 0 359.404 -0.524 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)CN2CCN(c3ccccn3)CC2)CC1 ZINC000811159019 661006808 /nfs/dbraw/zinc/00/68/08/661006808.db2.gz KKMNOIGRVFRZSP-UHFFFAOYSA-N -1 0 368.459 -0.171 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)C2(COC)CC2)C1 ZINC000811159124 661006866 /nfs/dbraw/zinc/00/68/66/661006866.db2.gz GUAKCOONAIMIAS-LLVKDONJSA-N -1 0 368.477 -0.327 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C2(COC)CC2)C1 ZINC000811159126 661006826 /nfs/dbraw/zinc/00/68/26/661006826.db2.gz GUAKCOONAIMIAS-NSHDSACASA-N -1 0 368.477 -0.327 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)Cn2c3ccccc3n(C)c2=O)CC1 ZINC000811159492 661006748 /nfs/dbraw/zinc/00/67/48/661006748.db2.gz SIZYSMRAAVIHSS-UHFFFAOYSA-N -1 0 353.400 -0.035 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)C2(COC)CC2)c1 ZINC000811159625 661006864 /nfs/dbraw/zinc/00/68/64/661006864.db2.gz UFBOTYHBFUNMDR-UHFFFAOYSA-N -1 0 370.427 -0.021 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000811160142 661006838 /nfs/dbraw/zinc/00/68/38/661006838.db2.gz CURFPUUXFVGWBA-JTQLQIEISA-N -1 0 354.450 -0.575 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000811160143 661006895 /nfs/dbraw/zinc/00/68/95/661006895.db2.gz CURFPUUXFVGWBA-SNVBAGLBSA-N -1 0 354.450 -0.575 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000811160672 661006775 /nfs/dbraw/zinc/00/67/75/661006775.db2.gz MRDPLGSODYEPDA-UHFFFAOYSA-N -1 0 361.420 -0.278 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1 ZINC000811161724 661006787 /nfs/dbraw/zinc/00/67/87/661006787.db2.gz ZIZBLBRQPHDPGB-UHFFFAOYSA-N -1 0 366.417 -0.232 20 0 FBADRM COc1ccc(C(=O)COC(=O)[C@@H](C)NS(C)(=O)=O)c2occ([O-])c21 ZINC000811163531 661006898 /nfs/dbraw/zinc/00/68/98/661006898.db2.gz QEDYLNCJBZGUIX-MRVPVSSYSA-N -1 0 371.367 -0.066 20 0 FBADRM COc1ccc(C(=O)COC(=O)[C@H](C)NS(C)(=O)=O)c2occ([O-])c21 ZINC000811163532 661006877 /nfs/dbraw/zinc/00/68/77/661006877.db2.gz QEDYLNCJBZGUIX-QMMMGPOBSA-N -1 0 371.367 -0.066 20 0 FBADRM CNS(=O)(=O)CCC(=O)OCC(=O)c1ccc(OC)c2c([O-])coc21 ZINC000811166211 661006850 /nfs/dbraw/zinc/00/68/50/661006850.db2.gz MZYUWLMYSPTAHA-UHFFFAOYSA-N -1 0 371.367 -0.065 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2)S(C)(=O)=O ZINC000811209558 661007236 /nfs/dbraw/zinc/00/72/36/661007236.db2.gz GBRUCFCSESMIEF-UHFFFAOYSA-N -1 0 374.440 -0.098 20 0 FBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)c1=O ZINC000811211754 661007208 /nfs/dbraw/zinc/00/72/08/661007208.db2.gz HKIMICFMYMMULS-UHFFFAOYSA-N -1 0 364.383 -0.394 20 0 FBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000811213897 661007264 /nfs/dbraw/zinc/00/72/64/661007264.db2.gz LAWBYDWFAJMDTD-UHFFFAOYSA-N -1 0 366.395 -0.131 20 0 FBADRM C[C@@H]1CN(C)C(=O)CN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000811330920 661007531 /nfs/dbraw/zinc/00/75/31/661007531.db2.gz XAFJNSIYWYLVLA-SECBINFHSA-N -1 0 361.370 -0.068 20 0 FBADRM C[C@H]1CN(C)C(=O)CN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000811330921 661007369 /nfs/dbraw/zinc/00/73/69/661007369.db2.gz XAFJNSIYWYLVLA-VIFPVBQESA-N -1 0 361.370 -0.068 20 0 FBADRM COC(=O)CCCO[N-]C(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000811562641 661008613 /nfs/dbraw/zinc/00/86/13/661008613.db2.gz IKULBHVGVIKVRP-UHFFFAOYSA-N -1 0 372.399 -0.004 20 0 FBADRM COC(=O)CCCO[N-]C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000811563269 661008735 /nfs/dbraw/zinc/00/87/35/661008735.db2.gz TUMQCWVXDAUAOM-UHFFFAOYSA-N -1 0 370.387 -0.158 20 0 FBADRM CC(C)(C)O[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCS(C)(=O)=O)C1 ZINC000811672477 661009047 /nfs/dbraw/zinc/00/90/47/661009047.db2.gz ADZVMVVVBIJCAD-ZJUUUORDSA-N -1 0 357.450 -0.297 20 0 FBADRM CCOC[C@H](NS(=O)(=O)N1CCN(C(=O)OCC)CC1)C(=O)[O-] ZINC000811673233 661009077 /nfs/dbraw/zinc/00/90/77/661009077.db2.gz HDBTWUYJHFXUJH-JTQLQIEISA-N -1 0 353.397 -0.915 20 0 FBADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)cn1C ZINC000811673238 661008958 /nfs/dbraw/zinc/00/89/58/661008958.db2.gz HFZDOXLDUHLAKV-RFAUZJTJSA-N -1 0 370.383 -0.134 20 0 FBADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)cn1C ZINC000811673239 661009078 /nfs/dbraw/zinc/00/90/78/661009078.db2.gz HFZDOXLDUHLAKV-VFZGTOFNSA-N -1 0 370.383 -0.134 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccsc1C(N)=O ZINC000811688417 661009322 /nfs/dbraw/zinc/00/93/22/661009322.db2.gz PMUBORWOLVUJIW-UHFFFAOYSA-N -1 0 355.463 -0.130 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccncc1C(=O)OC ZINC000811830069 661010539 /nfs/dbraw/zinc/01/05/39/661010539.db2.gz ZIWQISOSRGWFPG-UHFFFAOYSA-N -1 0 354.344 -0.091 20 0 FBADRM COC(=O)c1c(C)n[n-]c1S(=O)(=O)N=c1ccnc2n(C)[nH]cc1-2 ZINC000812319791 661012632 /nfs/dbraw/zinc/01/26/32/661012632.db2.gz RTGOLTXEGAFOFM-UHFFFAOYSA-N -1 0 350.360 -0.039 20 0 FBADRM CCOC[C@@H](NS(=O)(=O)N1CCN(C(=O)OCC)CC1)C(=O)[O-] ZINC000812448955 661013038 /nfs/dbraw/zinc/01/30/38/661013038.db2.gz HDBTWUYJHFXUJH-SNVBAGLBSA-N -1 0 353.397 -0.915 20 0 FBADRM CC(C)OCCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000812803829 661014281 /nfs/dbraw/zinc/01/42/81/661014281.db2.gz YFNZUEPIWPIPHW-LLVKDONJSA-N -1 0 373.431 -0.075 20 0 FBADRM CC(C)OCCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000812803830 661014257 /nfs/dbraw/zinc/01/42/57/661014257.db2.gz YFNZUEPIWPIPHW-NSHDSACASA-N -1 0 373.431 -0.075 20 0 FBADRM CC(C)OCCO[N-]C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000812805658 661014294 /nfs/dbraw/zinc/01/42/94/661014294.db2.gz UILVRGCWJACYMF-LLVKDONJSA-N -1 0 361.420 -0.375 20 0 FBADRM CC(C)OCCO[N-]C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000812805659 661014364 /nfs/dbraw/zinc/01/43/64/661014364.db2.gz UILVRGCWJACYMF-NSHDSACASA-N -1 0 361.420 -0.375 20 0 FBADRM CNS(=O)(=O)NC1CCN(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000812839663 661014223 /nfs/dbraw/zinc/01/42/23/661014223.db2.gz GABYGFSCRJJZDH-UHFFFAOYSA-N -1 0 356.448 -0.247 20 0 FBADRM CC(C)OCCO[N-]C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000813053630 661014876 /nfs/dbraw/zinc/01/48/76/661014876.db2.gz OYINLUUYKFLIGT-UHFFFAOYSA-N -1 0 363.367 -0.116 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ncn(C(C)(C)C)n2)cc1C(N)=O ZINC000813057318 661015074 /nfs/dbraw/zinc/01/50/74/661015074.db2.gz UQKUWFVRXVHLHP-UHFFFAOYSA-N -1 0 354.392 -0.411 20 0 FBADRM O=C(CCc1ncccn1)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000813058371 661015008 /nfs/dbraw/zinc/01/50/08/661015008.db2.gz IWFUPDFUEIUYDU-UHFFFAOYSA-N -1 0 359.371 -0.110 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2ncn(C(C)(C)C)n2)CC1 ZINC000813062635 661014906 /nfs/dbraw/zinc/01/49/06/661014906.db2.gz FAOBJXPNIXMDBC-UHFFFAOYSA-N -1 0 373.435 -0.107 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CCc2ncccn2)CC1 ZINC000813063515 661015058 /nfs/dbraw/zinc/01/50/58/661015058.db2.gz UUMVPCBGQQZABG-UHFFFAOYSA-N -1 0 356.404 -0.345 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCc1ncccn1 ZINC000813066947 661014950 /nfs/dbraw/zinc/01/49/50/661014950.db2.gz JJMPTMYGWOFFFX-LLVKDONJSA-N -1 0 356.404 -0.202 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCc1ncccn1 ZINC000813066948 661015041 /nfs/dbraw/zinc/01/50/41/661015041.db2.gz JJMPTMYGWOFFFX-NSHDSACASA-N -1 0 356.404 -0.202 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2ncn(C(C)(C)C)n2)s1 ZINC000813080048 661015020 /nfs/dbraw/zinc/01/50/20/661015020.db2.gz XGIVIIKLWGLBDD-UHFFFAOYSA-N -1 0 373.420 -0.038 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)c(F)c1F ZINC000813193084 661015167 /nfs/dbraw/zinc/01/51/67/661015167.db2.gz BNFGTHZIFMQUDN-UHFFFAOYSA-N -1 0 373.337 -0.361 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)c(F)c1F ZINC000813193804 661015307 /nfs/dbraw/zinc/01/53/07/661015307.db2.gz PDYAQCYBXJLKRW-UHFFFAOYSA-N -1 0 373.337 -0.211 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)c(F)c1F ZINC000813196305 661015323 /nfs/dbraw/zinc/01/53/23/661015323.db2.gz PBNFBMBMVDEOKD-UHFFFAOYSA-N -1 0 359.314 -0.531 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O)c(F)c1F ZINC000813199071 661015232 /nfs/dbraw/zinc/01/52/32/661015232.db2.gz XZKMZGJDBAGEKM-UHFFFAOYSA-N -1 0 356.372 -0.030 20 0 FBADRM CCCc1nnc(SCC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)n1N ZINC000813445400 661015910 /nfs/dbraw/zinc/01/59/10/661015910.db2.gz VUBJKWSRZARYKH-MRVPVSSYSA-N -1 0 353.412 -0.850 20 0 FBADRM CCCc1nnc(SCC(=O)N2CCO[C@H](c3nnn[n-]3)C2)n1N ZINC000813445401 661016022 /nfs/dbraw/zinc/01/60/22/661016022.db2.gz VUBJKWSRZARYKH-QMMMGPOBSA-N -1 0 353.412 -0.850 20 0 FBADRM CCCc1nnc(SCC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)n1N ZINC000813497103 661016721 /nfs/dbraw/zinc/01/67/21/661016721.db2.gz YWYFKQNSFCUEHI-SECBINFHSA-N -1 0 351.440 -0.044 20 0 FBADRM CCCc1nnc(SCC(=O)N2CCC[C@H](c3nnn[n-]3)C2)n1N ZINC000813497104 661016669 /nfs/dbraw/zinc/01/66/69/661016669.db2.gz YWYFKQNSFCUEHI-VIFPVBQESA-N -1 0 351.440 -0.044 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O ZINC000813534025 661017067 /nfs/dbraw/zinc/01/70/67/661017067.db2.gz DNCZFBZIUANLGZ-NEPJUHHUSA-N -1 0 354.384 -0.127 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O ZINC000813534026 661017028 /nfs/dbraw/zinc/01/70/28/661017028.db2.gz DNCZFBZIUANLGZ-NWDGAFQWSA-N -1 0 354.384 -0.127 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O ZINC000813534027 661016871 /nfs/dbraw/zinc/01/68/71/661016871.db2.gz DNCZFBZIUANLGZ-RYUDHWBXSA-N -1 0 354.384 -0.127 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1C[C@H](c2ccccc2)OC1=O ZINC000813534028 661017050 /nfs/dbraw/zinc/01/70/50/661017050.db2.gz DNCZFBZIUANLGZ-VXGBXAGGSA-N -1 0 354.384 -0.127 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(S(N)(=O)=O)ccc2F)C1=O ZINC000813546143 661016856 /nfs/dbraw/zinc/01/68/56/661016856.db2.gz DSNFWIBELNFLSL-CYBMUJFWSA-N -1 0 358.351 -0.162 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(S(N)(=O)=O)ccc2F)C1=O ZINC000813546144 661016895 /nfs/dbraw/zinc/01/68/95/661016895.db2.gz DSNFWIBELNFLSL-ZDUSSCGKSA-N -1 0 358.351 -0.162 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(S(N)(=O)=O)cc2F)C1=O ZINC000813548025 661016969 /nfs/dbraw/zinc/01/69/69/661016969.db2.gz XNMMEZXJDGUAMH-CYBMUJFWSA-N -1 0 358.351 -0.162 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(S(N)(=O)=O)cc2F)C1=O ZINC000813548027 661016976 /nfs/dbraw/zinc/01/69/76/661016976.db2.gz XNMMEZXJDGUAMH-ZDUSSCGKSA-N -1 0 358.351 -0.162 20 0 FBADRM CNS(=O)(=O)CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000813635418 661017591 /nfs/dbraw/zinc/01/75/91/661017591.db2.gz SNUNLJHZJKAJNV-NRPADANISA-N -1 0 359.370 -0.160 20 0 FBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)CC1(C(=O)OC)CCCCC1 ZINC000813688433 661018292 /nfs/dbraw/zinc/01/82/92/661018292.db2.gz UHJZQDHBWVQTSH-LLVKDONJSA-N -1 0 351.421 -0.047 20 0 FBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)CC1(C(=O)OC)CCCCC1 ZINC000813688440 661018256 /nfs/dbraw/zinc/01/82/56/661018256.db2.gz UHJZQDHBWVQTSH-NSHDSACASA-N -1 0 351.421 -0.047 20 0 FBADRM COC(=O)[C@H]1[C@@H]2CN(S(=O)(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)C[C@@H]21 ZINC000813743195 661018450 /nfs/dbraw/zinc/01/84/50/661018450.db2.gz HVRLQJMNWYKBNQ-MYJAWHEDSA-N -1 0 366.355 -0.525 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000813943253 661019628 /nfs/dbraw/zinc/01/96/28/661019628.db2.gz AIKBJMGZTKHIPY-UHFFFAOYSA-N -1 0 368.371 -0.328 20 0 FBADRM COc1cccc(CC(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000813943256 661019658 /nfs/dbraw/zinc/01/96/58/661019658.db2.gz AOBKCEXHJZGLAJ-UHFFFAOYSA-N -1 0 355.416 -0.237 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)COCc2ccccc2)CC1 ZINC000813943364 661019666 /nfs/dbraw/zinc/01/96/66/661019666.db2.gz BMWSVVOCWFNZCK-UHFFFAOYSA-N -1 0 355.416 -0.272 20 0 FBADRM COc1ccc(F)cc1C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813943373 661019705 /nfs/dbraw/zinc/01/97/05/661019705.db2.gz BTXRIJHHVQPGRR-UHFFFAOYSA-N -1 0 359.379 -0.027 20 0 FBADRM CC(=O)c1cc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)n(C)c1 ZINC000813943374 661019729 /nfs/dbraw/zinc/01/97/29/661019729.db2.gz BVJACNVQUWGBRN-UHFFFAOYSA-N -1 0 356.404 -0.634 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C/c2ccc(C)nc2)CC1 ZINC000813943405 661019700 /nfs/dbraw/zinc/01/97/00/661019700.db2.gz CNXDASJNZPTJPM-AATRIKPKSA-N -1 0 352.416 -0.072 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C\c2ccc(C)nc2)CC1 ZINC000813943406 661019651 /nfs/dbraw/zinc/01/96/51/661019651.db2.gz CNXDASJNZPTJPM-WAYWQWQTSA-N -1 0 352.416 -0.072 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cccc([S@@](C)=O)c2)CC1 ZINC000813943420 661019906 /nfs/dbraw/zinc/01/99/06/661019906.db2.gz CVPPVJCRQVJKRN-HSZRJFAPSA-N -1 0 373.456 -0.437 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cccc([S@](C)=O)c2)CC1 ZINC000813943421 661019960 /nfs/dbraw/zinc/01/99/60/661019960.db2.gz CVPPVJCRQVJKRN-QHCPKHFHSA-N -1 0 373.456 -0.437 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C(C)(C)COCC(F)F)CC1 ZINC000813943551 661019962 /nfs/dbraw/zinc/01/99/62/661019962.db2.gz DHZNAPOJQTVEBB-UHFFFAOYSA-N -1 0 371.406 -0.181 20 0 FBADRM CCOc1cccnc1C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813943652 661019957 /nfs/dbraw/zinc/01/99/57/661019957.db2.gz DYHZOECHZPWPMH-UHFFFAOYSA-N -1 0 356.404 -0.381 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCn2cc(Cl)cn2)CC1 ZINC000813943717 661019953 /nfs/dbraw/zinc/01/99/53/661019953.db2.gz FHMVOCVCMJIGBK-UHFFFAOYSA-N -1 0 363.827 -0.548 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)COCc2cc(C)no2)CC1 ZINC000813943731 661019966 /nfs/dbraw/zinc/01/99/66/661019966.db2.gz FKDBGZGHLYWXAT-UHFFFAOYSA-N -1 0 360.392 -0.975 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CN(C)c2ccccc2)CC1 ZINC000813943748 661019647 /nfs/dbraw/zinc/01/96/47/661019647.db2.gz AFDLHTCMTLIUPG-UHFFFAOYSA-N -1 0 354.432 -0.352 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cnn3ccccc23)CC1 ZINC000813943814 661019903 /nfs/dbraw/zinc/01/99/03/661019903.db2.gz GOLWLNQBHVPYJL-UHFFFAOYSA-N -1 0 351.388 -0.527 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cc(=O)[nH]c(C3CC3)c2)CC1 ZINC000813943832 661019912 /nfs/dbraw/zinc/01/99/12/661019912.db2.gz BDHNWUVMGOJOEW-UHFFFAOYSA-N -1 0 368.415 -0.197 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCOCC(F)(F)F)CC1 ZINC000813943978 661019932 /nfs/dbraw/zinc/01/99/32/661019932.db2.gz JBARBGMALKCUOA-UHFFFAOYSA-N -1 0 361.342 -0.520 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cccc(NC(N)=O)c2)CC1 ZINC000813943990 661019877 /nfs/dbraw/zinc/01/98/77/661019877.db2.gz JMMSEXQZUPNPBG-UHFFFAOYSA-N -1 0 369.403 -0.684 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2nnn(C(C)C)c2C)CC1 ZINC000813944018 661019968 /nfs/dbraw/zinc/01/99/68/661019968.db2.gz JSKFFOBSXCNJCQ-UHFFFAOYSA-N -1 0 358.424 -0.694 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N2CCCC2=O)CC1 ZINC000813944100 661019915 /nfs/dbraw/zinc/01/99/15/661019915.db2.gz KMIRHXPBAYYGTF-AWEZNQCLSA-N -1 0 374.463 -0.842 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N2CCCC2=O)CC1 ZINC000813944102 661019930 /nfs/dbraw/zinc/01/99/30/661019930.db2.gz KMIRHXPBAYYGTF-CQSZACIVSA-N -1 0 374.463 -0.842 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCc2csc(C)n2)CC1 ZINC000813944114 661019898 /nfs/dbraw/zinc/01/98/98/661019898.db2.gz KYOLEQUMCREJSX-UHFFFAOYSA-N -1 0 360.461 -0.091 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)Cc2nc(C)sc2C)CC1 ZINC000813944125 661019871 /nfs/dbraw/zinc/01/98/71/661019871.db2.gz LIGBKRYUUUCZNX-UHFFFAOYSA-N -1 0 360.461 -0.172 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc3nccnc3c2)CC1 ZINC000813944146 661019888 /nfs/dbraw/zinc/01/98/88/661019888.db2.gz MBUINIPLRDUPGE-UHFFFAOYSA-N -1 0 363.399 -0.232 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C2CCCC2)CC1 ZINC000813944236 661019908 /nfs/dbraw/zinc/01/99/08/661019908.db2.gz MNBTXPMXOITFSG-LLVKDONJSA-N -1 0 374.463 -0.794 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C2CCCC2)CC1 ZINC000813944237 661019964 /nfs/dbraw/zinc/01/99/64/661019964.db2.gz MNBTXPMXOITFSG-NSHDSACASA-N -1 0 374.463 -0.794 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccnc3ccncc32)CC1 ZINC000813944340 661019943 /nfs/dbraw/zinc/01/99/43/661019943.db2.gz PQDGUGOCTMWVLC-UHFFFAOYSA-N -1 0 363.399 -0.232 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1)c1ccccc1 ZINC000813944522 661019941 /nfs/dbraw/zinc/01/99/41/661019941.db2.gz TZYHVJWLFBBRRL-CQSZACIVSA-N -1 0 355.416 -0.101 20 0 FBADRM CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1)C1CCCC1 ZINC000813944523 661019923 /nfs/dbraw/zinc/01/99/23/661019923.db2.gz UAZZZUZOWFSCAO-AWEZNQCLSA-N -1 0 374.463 -0.794 20 0 FBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1)C1CCCC1 ZINC000813944524 661019901 /nfs/dbraw/zinc/01/99/01/661019901.db2.gz UAZZZUZOWFSCAO-CQSZACIVSA-N -1 0 374.463 -0.794 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cccc3c[nH]nc32)CC1 ZINC000813944527 661019851 /nfs/dbraw/zinc/01/98/51/661019851.db2.gz UETZDSGBWWUDRJ-UHFFFAOYSA-N -1 0 351.388 -0.298 20 0 FBADRM COc1ccc(F)cc1CC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813944531 661019956 /nfs/dbraw/zinc/01/99/56/661019956.db2.gz UFFDUWQHEPBRKS-UHFFFAOYSA-N -1 0 373.406 -0.098 20 0 FBADRM CSc1cc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)ccn1 ZINC000813944533 661019890 /nfs/dbraw/zinc/01/98/90/661019890.db2.gz UHSYYUVTFPEPAH-UHFFFAOYSA-N -1 0 358.445 -0.058 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)COCc2ncc(C)o2)CC1 ZINC000813944659 661019841 /nfs/dbraw/zinc/01/98/41/661019841.db2.gz VOSPXXCVNGKJBY-UHFFFAOYSA-N -1 0 360.392 -0.975 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)nnn3C)CC1 ZINC000813944661 661019862 /nfs/dbraw/zinc/01/98/62/661019862.db2.gz VPNXZARECVLIBK-UHFFFAOYSA-N -1 0 366.403 -0.893 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CNC(=O)CC(C)(C)C)CC1 ZINC000813944693 661019950 /nfs/dbraw/zinc/01/99/50/661019950.db2.gz WZIIXKKNUSUFDA-UHFFFAOYSA-N -1 0 362.452 -0.936 20 0 FBADRM COCc1ncc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)s1 ZINC000813944721 661019969 /nfs/dbraw/zinc/01/99/69/661019969.db2.gz XJRYGEXMUIRFRC-UHFFFAOYSA-N -1 0 362.433 -0.572 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CNC(=O)CCC(C)C)CC1 ZINC000813944867 661019913 /nfs/dbraw/zinc/01/99/13/661019913.db2.gz ZNPPIBZBJWNYOB-UHFFFAOYSA-N -1 0 362.452 -0.936 20 0 FBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)cn1 ZINC000813944991 661019967 /nfs/dbraw/zinc/01/99/67/661019967.db2.gz CVRQSKMFKRHZIC-UHFFFAOYSA-N -1 0 357.392 -0.986 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc3cc[nH]c3n2)CC1 ZINC000813945095 661019937 /nfs/dbraw/zinc/01/99/37/661019937.db2.gz AJHKMEZTYWXEHO-UHFFFAOYSA-N -1 0 351.388 -0.298 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000813945104 661019866 /nfs/dbraw/zinc/01/98/66/661019866.db2.gz ASBQMHASAOOKNX-GFCCVEGCSA-N -1 0 374.463 -0.842 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000813945105 661019935 /nfs/dbraw/zinc/01/99/35/661019935.db2.gz ASBQMHASAOOKNX-LBPRGKRZSA-N -1 0 374.463 -0.842 20 0 FBADRM COc1ccc(CC(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000813945160 661019880 /nfs/dbraw/zinc/01/98/80/661019880.db2.gz DCMKKKGEVJVMHD-UHFFFAOYSA-N -1 0 355.416 -0.237 20 0 FBADRM CCOc1ncccc1C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813945171 661019970 /nfs/dbraw/zinc/01/99/70/661019970.db2.gz DQZVLXPIWYHXMP-UHFFFAOYSA-N -1 0 356.404 -0.381 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2sc3nccn3c2C)CC1 ZINC000813945219 661019885 /nfs/dbraw/zinc/01/98/85/661019885.db2.gz GNRCLKHCGVCNAH-UHFFFAOYSA-N -1 0 371.444 -0.157 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C\c2cncc(C)c2)CC1 ZINC000813945318 661020264 /nfs/dbraw/zinc/02/02/64/661020264.db2.gz GJRBROMYRYHOIR-ARJAWSKDSA-N -1 0 352.416 -0.072 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C/c2cncc(C)c2)CC1 ZINC000813945319 661020139 /nfs/dbraw/zinc/02/01/39/661020139.db2.gz GJRBROMYRYHOIR-ONEGZZNKSA-N -1 0 352.416 -0.072 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2OCCc3ccccc32)CC1 ZINC000813945366 661020225 /nfs/dbraw/zinc/02/02/25/661020225.db2.gz IELDDCYMKYSYQJ-HNNXBMFYSA-N -1 0 367.427 -0.175 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2OCCc3ccccc32)CC1 ZINC000813945368 661020249 /nfs/dbraw/zinc/02/02/49/661020249.db2.gz IELDDCYMKYSYQJ-OAHLLOKOSA-N -1 0 367.427 -0.175 20 0 FBADRM COc1ccc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)cc1F ZINC000813945407 661020245 /nfs/dbraw/zinc/02/02/45/661020245.db2.gz ILCRKJZWBPDRKI-UHFFFAOYSA-N -1 0 359.379 -0.027 20 0 FBADRM COc1ccc(OCC(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000813945447 661020054 /nfs/dbraw/zinc/02/00/54/661020054.db2.gz IZHBEWPPFYWYIY-UHFFFAOYSA-N -1 0 371.415 -0.401 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)COc2ccc(C)cc2)CC1 ZINC000813945500 661020237 /nfs/dbraw/zinc/02/02/37/661020237.db2.gz JSCOLDUVTKCNIB-UHFFFAOYSA-N -1 0 355.416 -0.101 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)CC1 ZINC000813945517 661020221 /nfs/dbraw/zinc/02/02/21/661020221.db2.gz KDWJHNOBLKDHFU-PBWFPOADSA-N -1 0 371.459 -0.093 20 0 FBADRM COc1ccc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)cc1OC ZINC000813945527 661020127 /nfs/dbraw/zinc/02/01/27/661020127.db2.gz KHJIZDBYPRIZSJ-UHFFFAOYSA-N -1 0 371.415 -0.158 20 0 FBADRM COc1nc(C)ccc1C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813945586 661020121 /nfs/dbraw/zinc/02/01/21/661020121.db2.gz LHWLNBBUHVGQHP-UHFFFAOYSA-N -1 0 356.404 -0.463 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2C(=O)C(C)C)CC1 ZINC000813945614 661020218 /nfs/dbraw/zinc/02/02/18/661020218.db2.gz LSYBTJVLYAOUKR-CYBMUJFWSA-N -1 0 374.463 -0.842 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2C(=O)C(C)C)CC1 ZINC000813945615 661020061 /nfs/dbraw/zinc/02/00/61/661020061.db2.gz LSYBTJVLYAOUKR-ZDUSSCGKSA-N -1 0 374.463 -0.842 20 0 FBADRM COCc1cncc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000813945753 661020145 /nfs/dbraw/zinc/02/01/45/661020145.db2.gz PBJAATNIHUVETH-UHFFFAOYSA-N -1 0 356.404 -0.633 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC000813945835 661020115 /nfs/dbraw/zinc/02/01/15/661020115.db2.gz OQGHKLOSYKMXIN-GFCCVEGCSA-N -1 0 355.416 -0.021 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000813945836 661020066 /nfs/dbraw/zinc/02/00/66/661020066.db2.gz OQGHKLOSYKMXIN-LBPRGKRZSA-N -1 0 355.416 -0.021 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2nc(Cl)cs2)CC1 ZINC000813945926 661020162 /nfs/dbraw/zinc/02/01/62/661020162.db2.gz RSXLUNOZPFIADO-UHFFFAOYSA-N -1 0 352.825 -0.065 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C[C@@H]2CSCCS2)CC1 ZINC000813945996 661020174 /nfs/dbraw/zinc/02/01/74/661020174.db2.gz QPBCICJBKIEHPH-LLVKDONJSA-N -1 0 367.518 -0.250 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C[C@H]2CSCCS2)CC1 ZINC000813945997 661020081 /nfs/dbraw/zinc/02/00/81/661020081.db2.gz QPBCICJBKIEHPH-NSHDSACASA-N -1 0 367.518 -0.250 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCc2nc(C(C)C)no2)CC1 ZINC000813946019 661020096 /nfs/dbraw/zinc/02/00/96/661020096.db2.gz QYJJFOJAJWSPCZ-UHFFFAOYSA-N -1 0 373.435 -0.349 20 0 FBADRM COc1cccc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)c1F ZINC000813946036 661020132 /nfs/dbraw/zinc/02/01/32/661020132.db2.gz RIYOZIBCUPZTGT-UHFFFAOYSA-N -1 0 359.379 -0.027 20 0 FBADRM COc1ccccc1CC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813946074 661020157 /nfs/dbraw/zinc/02/01/57/661020157.db2.gz TXEHKWFIHHZHBO-UHFFFAOYSA-N -1 0 355.416 -0.237 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cn(C(C)(C)C)nn2)CC1 ZINC000813946116 661020241 /nfs/dbraw/zinc/02/02/41/661020241.db2.gz UQIOKFREUNOKGX-UHFFFAOYSA-N -1 0 358.424 -0.828 20 0 FBADRM CC(=O)N[C@H](CC1CCC1)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813946129 661020271 /nfs/dbraw/zinc/02/02/71/661020271.db2.gz VBXILZBUTWLIBK-CQSZACIVSA-N -1 0 374.463 -0.794 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cnn(C(C)C)c2C)CC1 ZINC000813946130 661020261 /nfs/dbraw/zinc/02/02/61/661020261.db2.gz VCCCNGXVTKWTCK-UHFFFAOYSA-N -1 0 357.436 -0.089 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc(NC(N)=O)cc2)CC1 ZINC000813946208 661020202 /nfs/dbraw/zinc/02/02/02/661020202.db2.gz VHLMHLJCEYVNQC-UHFFFAOYSA-N -1 0 369.403 -0.684 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CCC(=O)c3cccn32)CC1 ZINC000813946292 661020256 /nfs/dbraw/zinc/02/02/56/661020256.db2.gz WYMKVGKWRNGOOD-CYBMUJFWSA-N -1 0 368.415 -0.469 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)c3cccn32)CC1 ZINC000813946294 661020151 /nfs/dbraw/zinc/02/01/51/661020151.db2.gz WYMKVGKWRNGOOD-ZDUSSCGKSA-N -1 0 368.415 -0.469 20 0 FBADRM COc1ccccc1OCC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813946422 661020171 /nfs/dbraw/zinc/02/01/71/661020171.db2.gz ZXXCXPKYHPDYHH-UHFFFAOYSA-N -1 0 371.415 -0.401 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc3nnc(C)n3c2)CC1 ZINC000813946423 661020100 /nfs/dbraw/zinc/02/01/00/661020100.db2.gz ZYWQAMZDCXWHHK-UHFFFAOYSA-N -1 0 366.403 -0.824 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C(F)(F)c2nccs2)CC1 ZINC000813946493 661020254 /nfs/dbraw/zinc/02/02/54/661020254.db2.gz AALHMMJDIDJTCP-UHFFFAOYSA-N -1 0 368.387 -0.240 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000813946518 661020110 /nfs/dbraw/zinc/02/01/10/661020110.db2.gz AYYONZIIPQPYCC-UHFFFAOYSA-N -1 0 355.372 -0.446 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cnc(C(C)(C)C)nc2)CC1 ZINC000813946560 661020167 /nfs/dbraw/zinc/02/01/67/661020167.db2.gz CUFOWXMASNKAPA-UHFFFAOYSA-N -1 0 369.447 -0.087 20 0 FBADRM COCc1cccc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000813946596 661020075 /nfs/dbraw/zinc/02/00/75/661020075.db2.gz FCKFZDXIYWXWAM-UHFFFAOYSA-N -1 0 355.416 -0.028 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)Cc2c(C)nn(C)c2C)CC1 ZINC000813946620 661020043 /nfs/dbraw/zinc/02/00/43/661020043.db2.gz GJHRAFMPFGNMQV-UHFFFAOYSA-N -1 0 357.436 -0.895 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C/c2ncccc2C)CC1 ZINC000813946637 661020528 /nfs/dbraw/zinc/02/05/28/661020528.db2.gz GURCDHATWZEPLG-AATRIKPKSA-N -1 0 352.416 -0.072 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C\c2ncccc2C)CC1 ZINC000813946638 661020499 /nfs/dbraw/zinc/02/04/99/661020499.db2.gz GURCDHATWZEPLG-WAYWQWQTSA-N -1 0 352.416 -0.072 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cnc3nccnc3c2)CC1 ZINC000813946655 661020463 /nfs/dbraw/zinc/02/04/63/661020463.db2.gz HOPAVTQKULJOER-UHFFFAOYSA-N -1 0 364.387 -0.837 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)COCc2cccnc2)CC1 ZINC000813946657 661020562 /nfs/dbraw/zinc/02/05/62/661020562.db2.gz HVUTZIUBOGSJCC-UHFFFAOYSA-N -1 0 356.404 -0.877 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cccc3c2OCO3)CC1 ZINC000813946662 661020542 /nfs/dbraw/zinc/02/05/42/661020542.db2.gz IAWLWFWWYWRJTK-UHFFFAOYSA-N -1 0 355.372 -0.446 20 0 FBADRM CC(=O)[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)C1(C)C ZINC000813946725 661020465 /nfs/dbraw/zinc/02/04/65/661020465.db2.gz JGVNLYBUUBDMOJ-QWHCGFSZSA-N -1 0 359.448 -0.237 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cc(C(C)C)nn2C)CC1 ZINC000813946774 661020471 /nfs/dbraw/zinc/02/04/71/661020471.db2.gz LGKADAUZNUIPCK-UHFFFAOYSA-N -1 0 357.436 -0.318 20 0 FBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813946784 661020466 /nfs/dbraw/zinc/02/04/66/661020466.db2.gz LPUBZCARHMZXJI-GWCFXTLKSA-N -1 0 362.452 -0.938 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cn3ccccc3n2)CC1 ZINC000813946834 661020480 /nfs/dbraw/zinc/02/04/80/661020480.db2.gz OMSVOILGXLCINI-UHFFFAOYSA-N -1 0 351.388 -0.527 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C\c2cnc(C)s2)CC1 ZINC000813946865 661020468 /nfs/dbraw/zinc/02/04/68/661020468.db2.gz PPVRPEOLWBLJGD-ARJAWSKDSA-N -1 0 358.445 -0.010 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C/c2cnc(C)s2)CC1 ZINC000813946866 661020501 /nfs/dbraw/zinc/02/05/01/661020501.db2.gz PPVRPEOLWBLJGD-ONEGZZNKSA-N -1 0 358.445 -0.010 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)COc2ccccc2C)CC1 ZINC000813946873 661020544 /nfs/dbraw/zinc/02/05/44/661020544.db2.gz PYGZCEPYNCYOQQ-UHFFFAOYSA-N -1 0 355.416 -0.101 20 0 FBADRM CCOc1nc(C)ccc1C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813946891 661020486 /nfs/dbraw/zinc/02/04/86/661020486.db2.gz QRZBZWJEZMRXDA-UHFFFAOYSA-N -1 0 370.431 -0.073 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CO[C@H](C)c2nccn2C)CC1 ZINC000813946911 661020515 /nfs/dbraw/zinc/02/05/15/661020515.db2.gz RNBGHKWDQWCEGK-LLVKDONJSA-N -1 0 373.435 -0.977 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CO[C@@H](C)c2nccn2C)CC1 ZINC000813946912 661020478 /nfs/dbraw/zinc/02/04/78/661020478.db2.gz RNBGHKWDQWCEGK-NSHDSACASA-N -1 0 373.435 -0.977 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cn3ccnc3s2)CC1 ZINC000813946914 661020532 /nfs/dbraw/zinc/02/05/32/661020532.db2.gz ROBRTSSDAQWMML-UHFFFAOYSA-N -1 0 357.417 -0.466 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCc2c(C)noc2C)CC1 ZINC000813946954 661020502 /nfs/dbraw/zinc/02/05/02/661020502.db2.gz SVPSVSUKHPDNPW-UHFFFAOYSA-N -1 0 358.420 -0.251 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2oc(C3CC3)nc2C)CC1 ZINC000813947116 661020474 /nfs/dbraw/zinc/02/04/74/661020474.db2.gz AQDQYDBYVZANOT-UHFFFAOYSA-N -1 0 356.404 -0.001 20 0 FBADRM COCc1ccccc1C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813947137 661020482 /nfs/dbraw/zinc/02/04/82/661020482.db2.gz BGLSRUAAEPWMMO-UHFFFAOYSA-N -1 0 355.416 -0.028 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CCCc3nn(C)cc32)CC1 ZINC000813947150 661020517 /nfs/dbraw/zinc/02/05/17/661020517.db2.gz XEKSZHIOHJYNLL-GFCCVEGCSA-N -1 0 369.447 -0.635 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CCCc3nn(C)cc32)CC1 ZINC000813947152 661020526 /nfs/dbraw/zinc/02/05/26/661020526.db2.gz XEKSZHIOHJYNLL-LBPRGKRZSA-N -1 0 369.447 -0.635 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cccc3[nH]c(=O)oc32)CC1 ZINC000813947164 661020555 /nfs/dbraw/zinc/02/05/55/661020555.db2.gz XHKLQNCNWCCPDV-UHFFFAOYSA-N -1 0 368.371 -0.328 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cnc3c(cnn3C)c2)CC1 ZINC000813947190 661020540 /nfs/dbraw/zinc/02/05/40/661020540.db2.gz XWBVTWJDAWMVCN-UHFFFAOYSA-N -1 0 366.403 -0.893 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCc2nc(C)cs2)CC1 ZINC000813947235 661020519 /nfs/dbraw/zinc/02/05/19/661020519.db2.gz CWPKFXONMLJSPI-UHFFFAOYSA-N -1 0 360.461 -0.091 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)COC3)CC1 ZINC000813947262 661020475 /nfs/dbraw/zinc/02/04/75/661020475.db2.gz YPVMAJPTVVWPFQ-UHFFFAOYSA-N -1 0 353.400 -0.145 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cncnc2C(C)C)CC1 ZINC000813947283 661020561 /nfs/dbraw/zinc/02/05/61/661020561.db2.gz ZCAFXXMAKAOSEQ-UHFFFAOYSA-N -1 0 355.420 -0.261 20 0 FBADRM COc1ccc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)c(F)c1 ZINC000813947317 661020558 /nfs/dbraw/zinc/02/05/58/661020558.db2.gz DNILRWFXRABEDZ-UHFFFAOYSA-N -1 0 359.379 -0.027 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2c(C)nn(C)c2Cl)CC1 ZINC000813947325 661020553 /nfs/dbraw/zinc/02/05/53/661020553.db2.gz FAYUJUUIMLWXEF-UHFFFAOYSA-N -1 0 363.827 -0.479 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2nnc3ccccc3n2)CC1 ZINC000813947334 661020461 /nfs/dbraw/zinc/02/04/61/661020461.db2.gz FIHOVYKGIFRGJR-UHFFFAOYSA-N -1 0 364.387 -0.837 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2nccn3cc(C)nc23)CC1 ZINC000813947348 661020538 /nfs/dbraw/zinc/02/05/38/661020538.db2.gz FXTHEKFNUBRTSD-UHFFFAOYSA-N -1 0 366.403 -0.824 20 0 FBADRM COc1ncc(/C=C\C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)cn1 ZINC000813947354 661020509 /nfs/dbraw/zinc/02/05/09/661020509.db2.gz GJPDDJZGJDLWNW-ARJAWSKDSA-N -1 0 369.403 -0.977 20 0 FBADRM COc1ncc(/C=C/C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)cn1 ZINC000813947355 661020550 /nfs/dbraw/zinc/02/05/50/661020550.db2.gz GJPDDJZGJDLWNW-ONEGZZNKSA-N -1 0 369.403 -0.977 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C(F)(F)C2CCOCC2)CC1 ZINC000813947367 661020547 /nfs/dbraw/zinc/02/05/47/661020547.db2.gz GTYCMABGESBCAV-UHFFFAOYSA-N -1 0 369.390 -0.427 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cn(C)nc2C(C)(C)C)CC1 ZINC000813947388 661020505 /nfs/dbraw/zinc/02/05/05/661020505.db2.gz HJIBVNHAXZVLLI-UHFFFAOYSA-N -1 0 371.463 -0.144 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cccc3c2OCCO3)CC1 ZINC000813947412 661020790 /nfs/dbraw/zinc/02/07/90/661020790.db2.gz IFAZMZYLTZDTDX-UHFFFAOYSA-N -1 0 369.399 -0.404 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cc(C(C)(C)C)nn2C)CC1 ZINC000813947421 661020700 /nfs/dbraw/zinc/02/07/00/661020700.db2.gz ISDFAGXCHDBESK-UHFFFAOYSA-N -1 0 371.463 -0.144 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)COCCc2ccccc2)CC1 ZINC000813947440 661020857 /nfs/dbraw/zinc/02/08/57/661020857.db2.gz JNFIZXVGDKKVAF-UHFFFAOYSA-N -1 0 369.443 -0.229 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2COc3ccccc3C2)CC1 ZINC000813947484 661020730 /nfs/dbraw/zinc/02/07/30/661020730.db2.gz LHLNJBBBQOHDJI-AWEZNQCLSA-N -1 0 367.427 -0.237 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2COc3ccccc3C2)CC1 ZINC000813947485 661020842 /nfs/dbraw/zinc/02/08/42/661020842.db2.gz LHLNJBBBQOHDJI-CQSZACIVSA-N -1 0 367.427 -0.237 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCn2nc(C)cc2C)CC1 ZINC000813947488 661020830 /nfs/dbraw/zinc/02/08/30/661020830.db2.gz LIGFOIQVWKOPRH-UHFFFAOYSA-N -1 0 357.436 -0.585 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)Cc2cn3ccccc3n2)CC1 ZINC000813947529 661020837 /nfs/dbraw/zinc/02/08/37/661020837.db2.gz NJTHMIKLYXEDLV-UHFFFAOYSA-N -1 0 365.415 -0.598 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cc3c(s2)CCOC3)CC1 ZINC000813947530 661020863 /nfs/dbraw/zinc/02/08/63/661020863.db2.gz NJWMNCOKMHEKAS-UHFFFAOYSA-N -1 0 373.456 -0.041 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cnn3ccc(C)nc23)CC1 ZINC000813947571 661020775 /nfs/dbraw/zinc/02/07/75/661020775.db2.gz OINYUCFFMJEDRM-UHFFFAOYSA-N -1 0 366.403 -0.824 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CN2CCc3ccccc32)CC1 ZINC000813947590 661020724 /nfs/dbraw/zinc/02/07/24/661020724.db2.gz PBSRCJFVVRTOMH-UHFFFAOYSA-N -1 0 366.443 -0.426 20 0 FBADRM CCc1noc(CC)c1CC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813947594 661020714 /nfs/dbraw/zinc/02/07/14/661020714.db2.gz PGOZZPLZIWKLJR-UHFFFAOYSA-N -1 0 372.447 -0.133 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C\c2cncc(F)c2)CC1 ZINC000813947624 661020795 /nfs/dbraw/zinc/02/07/95/661020795.db2.gz QOMXQVIHHCGMPT-IHWYPQMZSA-N -1 0 356.379 -0.241 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C/c2cncc(F)c2)CC1 ZINC000813947625 661020708 /nfs/dbraw/zinc/02/07/08/661020708.db2.gz QOMXQVIHHCGMPT-NSCUHMNNSA-N -1 0 356.379 -0.241 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cnn(CC(C)C)c2)CC1 ZINC000813947633 661020866 /nfs/dbraw/zinc/02/08/66/661020866.db2.gz RIDRFHVPWIBSKS-UHFFFAOYSA-N -1 0 357.436 -0.322 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2nc(C)n3ccccc23)CC1 ZINC000813947694 661020747 /nfs/dbraw/zinc/02/07/47/661020747.db2.gz TYJSDGVNBCQLQX-UHFFFAOYSA-N -1 0 365.415 -0.219 20 0 FBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000813947714 661020736 /nfs/dbraw/zinc/02/07/36/661020736.db2.gz UNWIKYZKRZHENE-UHFFFAOYSA-N -1 0 369.399 -0.388 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccnc(N(C)C)c2)CC1 ZINC000813947775 661020779 /nfs/dbraw/zinc/02/07/79/661020779.db2.gz WUBYLRCTJUVRMD-UHFFFAOYSA-N -1 0 355.420 -0.714 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CSCC(F)(F)F)CC1 ZINC000813947778 661020815 /nfs/dbraw/zinc/02/08/15/661020815.db2.gz XAHQJUDGCPHKAW-UHFFFAOYSA-N -1 0 363.383 -0.193 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCNC(=O)C(C)(C)C)CC1 ZINC000813947811 661020717 /nfs/dbraw/zinc/02/07/17/661020717.db2.gz ZHHHXTXSRDVCOG-UHFFFAOYSA-N -1 0 362.452 -0.936 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc3nnn(C)c3c2)CC1 ZINC000813947822 661020874 /nfs/dbraw/zinc/02/08/74/661020874.db2.gz ZRKBBQQILYOGNI-UHFFFAOYSA-N -1 0 366.403 -0.893 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCc2c(C)nn(C)c2C)CC1 ZINC000813947826 661020760 /nfs/dbraw/zinc/02/07/60/661020760.db2.gz ZWYGDAOZSHQGNS-UHFFFAOYSA-N -1 0 371.463 -0.505 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cc(C3CC3)n(C)n2)CC1 ZINC000813947834 661020683 /nfs/dbraw/zinc/02/06/83/661020683.db2.gz ZZIOEWQEBYAEQW-UHFFFAOYSA-N -1 0 355.420 -0.564 20 0 FBADRM CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813947856 661020819 /nfs/dbraw/zinc/02/08/19/661020819.db2.gz ANDBGCLXMGFRSA-UHFFFAOYSA-N -1 0 364.424 -0.962 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C2=Cc3ccccc3OC2)CC1 ZINC000813947902 661020740 /nfs/dbraw/zinc/02/07/40/661020740.db2.gz COFDRRUTZWBUPT-UHFFFAOYSA-N -1 0 365.411 -0.013 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)Cc2ccc3c(c2)COC3)CC1 ZINC000813947904 661020835 /nfs/dbraw/zinc/02/08/35/661020835.db2.gz CSPGIUISLQLDDM-UHFFFAOYSA-N -1 0 367.427 -0.216 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cn(CCC(C)C)nn2)CC1 ZINC000813947925 661020871 /nfs/dbraw/zinc/02/08/71/661020871.db2.gz AFENWHNZIAFMLK-UHFFFAOYSA-N -1 0 372.451 -0.537 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cn3ccc(C)cc3n2)CC1 ZINC000813947933 661020687 /nfs/dbraw/zinc/02/06/87/661020687.db2.gz ABPDNIHTQAMPLD-UHFFFAOYSA-N -1 0 365.415 -0.219 20 0 FBADRM COc1ccc(CC(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)cc1F ZINC000813947938 661020793 /nfs/dbraw/zinc/02/07/93/661020793.db2.gz ABUPTSJWYOCGDH-UHFFFAOYSA-N -1 0 373.406 -0.098 20 0 FBADRM CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813947941 661020852 /nfs/dbraw/zinc/02/08/52/661020852.db2.gz ABURUZQBNWFMEW-UHFFFAOYSA-N -1 0 362.452 -0.840 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccn(CC(F)F)n2)CC1 ZINC000813947951 661020824 /nfs/dbraw/zinc/02/08/24/661020824.db2.gz AICRFCQTLKRCGW-UHFFFAOYSA-N -1 0 365.362 -0.713 20 0 FBADRM COC(=O)c1cncc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000813947967 661020829 /nfs/dbraw/zinc/02/08/29/661020829.db2.gz ARICDEUZJWIAQM-UHFFFAOYSA-N -1 0 370.387 -0.993 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2scnc2Cl)CC1 ZINC000813948040 661020811 /nfs/dbraw/zinc/02/08/11/661020811.db2.gz CCDUBEHNSAPYDS-UHFFFAOYSA-N -1 0 352.825 -0.065 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ncn(C(C)(C)C)n2)CC1 ZINC000813948079 661020672 /nfs/dbraw/zinc/02/06/72/661020672.db2.gz CZPKMNJEDFYSLU-UHFFFAOYSA-N -1 0 358.424 -0.828 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccn(C(F)F)n2)CC1 ZINC000813948200 661020678 /nfs/dbraw/zinc/02/06/78/661020678.db2.gz HAQDICAGKNCQIM-UHFFFAOYSA-N -1 0 351.335 -0.583 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3cnn(C)c3C2)CC1 ZINC000813948211 661020846 /nfs/dbraw/zinc/02/08/46/661020846.db2.gz HGKNWEREOUDOGL-GFCCVEGCSA-N -1 0 369.447 -0.950 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CCc3cnn(C)c3C2)CC1 ZINC000813948212 661020805 /nfs/dbraw/zinc/02/08/05/661020805.db2.gz HGKNWEREOUDOGL-LBPRGKRZSA-N -1 0 369.447 -0.950 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)COc2ccc(F)cc2)CC1 ZINC000813948236 661021054 /nfs/dbraw/zinc/02/10/54/661021054.db2.gz HRPMIISWMLQHBP-UHFFFAOYSA-N -1 0 359.379 -0.270 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C2Cc3ccccc3C2)CC1 ZINC000813948285 661021124 /nfs/dbraw/zinc/02/11/24/661021124.db2.gz IKXVFHIFTBVGBI-UHFFFAOYSA-N -1 0 351.428 -0.074 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H](C)c2c(C)nn(C)c2C)CC1 ZINC000813948391 661021116 /nfs/dbraw/zinc/02/11/16/661021116.db2.gz DZOLYTWSWNBERB-JTQLQIEISA-N -1 0 371.463 -0.334 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H](C)c2c(C)nn(C)c2C)CC1 ZINC000813948394 661021030 /nfs/dbraw/zinc/02/10/30/661021030.db2.gz DZOLYTWSWNBERB-SNVBAGLBSA-N -1 0 371.463 -0.334 20 0 FBADRM CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000813948407 661021088 /nfs/dbraw/zinc/02/10/88/661021088.db2.gz FCSVFQAAAXQRRJ-UHFFFAOYSA-N -1 0 368.415 -0.815 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCC(=O)c2ccccn2)CC1 ZINC000813948412 661021018 /nfs/dbraw/zinc/02/10/18/661021018.db2.gz FFYUMLJODINHHR-UHFFFAOYSA-N -1 0 368.415 -0.430 20 0 FBADRM CCOC(=O)C(C)(C)CC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813948458 661021099 /nfs/dbraw/zinc/02/10/99/661021099.db2.gz GDRQBAHAZBFGDR-UHFFFAOYSA-N -1 0 363.436 -0.509 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc([S@@](C)=O)cc2)CC1 ZINC000813948459 661021077 /nfs/dbraw/zinc/02/10/77/661021077.db2.gz GEYALOFJAWPUKQ-HSZRJFAPSA-N -1 0 373.456 -0.437 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc([S@](C)=O)cc2)CC1 ZINC000813948460 661021101 /nfs/dbraw/zinc/02/11/01/661021101.db2.gz GEYALOFJAWPUKQ-QHCPKHFHSA-N -1 0 373.456 -0.437 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cn(C)nc2C(F)F)CC1 ZINC000813948468 661021044 /nfs/dbraw/zinc/02/10/44/661021044.db2.gz GLCNDHVWZAZFTJ-UHFFFAOYSA-N -1 0 365.362 -0.504 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2c(C)noc2C2CC2)CC1 ZINC000813948475 661021060 /nfs/dbraw/zinc/02/10/60/661021060.db2.gz GWPBQZPUEMOKNY-UHFFFAOYSA-N -1 0 356.404 -0.001 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cnn(C)c2C(F)F)CC1 ZINC000813948520 661021038 /nfs/dbraw/zinc/02/10/38/661021038.db2.gz INTFAYHJLOJSLR-UHFFFAOYSA-N -1 0 365.362 -0.504 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cccc(N(C)C)c2)CC1 ZINC000813948527 661021023 /nfs/dbraw/zinc/02/10/23/661021023.db2.gz JKSCEDIGGLVYHI-UHFFFAOYSA-N -1 0 354.432 -0.109 20 0 FBADRM CCC(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813948530 661021064 /nfs/dbraw/zinc/02/10/64/661021064.db2.gz JMLDEQXXSZOATR-CYBMUJFWSA-N -1 0 374.463 -0.697 20 0 FBADRM CCC(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813948531 661021104 /nfs/dbraw/zinc/02/11/04/661021104.db2.gz JMLDEQXXSZOATR-ZDUSSCGKSA-N -1 0 374.463 -0.697 20 0 FBADRM CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813948533 661021033 /nfs/dbraw/zinc/02/10/33/661021033.db2.gz JOBTVQMGBCUDCR-UHFFFAOYSA-N -1 0 362.452 -0.792 20 0 FBADRM CCCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813948541 661021120 /nfs/dbraw/zinc/02/11/20/661021120.db2.gz JXBDTDAHSLDSHK-CYBMUJFWSA-N -1 0 374.463 -0.697 20 0 FBADRM CCCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813948542 661021092 /nfs/dbraw/zinc/02/10/92/661021092.db2.gz JXBDTDAHSLDSHK-ZDUSSCGKSA-N -1 0 374.463 -0.697 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000813948579 661021114 /nfs/dbraw/zinc/02/11/14/661021114.db2.gz JJLLNBGJVKPZRB-UHFFFAOYSA-N -1 0 353.400 -0.240 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000813948597 661021112 /nfs/dbraw/zinc/02/11/12/661021112.db2.gz KRHPANBUJRZZDY-UHFFFAOYSA-N -1 0 357.436 -0.154 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)c3ccccc32)CC1 ZINC000813948599 661021090 /nfs/dbraw/zinc/02/10/90/661021090.db2.gz KRMDXLWGIZVNAM-AWEZNQCLSA-N -1 0 365.411 -0.118 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)c3ccccc32)CC1 ZINC000813948601 661021076 /nfs/dbraw/zinc/02/10/76/661021076.db2.gz KRMDXLWGIZVNAM-CQSZACIVSA-N -1 0 365.411 -0.118 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)Cc2ccc3c(c2)CCO3)CC1 ZINC000813948635 661021118 /nfs/dbraw/zinc/02/11/18/661021118.db2.gz LMDKCFQYOQRDNW-UHFFFAOYSA-N -1 0 367.427 -0.311 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cnn(CC(C)C)c2C)CC1 ZINC000813948678 661021026 /nfs/dbraw/zinc/02/10/26/661021026.db2.gz KUKACVMTPKDESH-UHFFFAOYSA-N -1 0 371.463 -0.014 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2c(C)cc(C)[nH]c2=O)CC1 ZINC000813948713 661021122 /nfs/dbraw/zinc/02/11/22/661021122.db2.gz MPMOTHHMENLWSV-UHFFFAOYSA-N -1 0 356.404 -0.457 20 0 FBADRM COc1cc(C)cnc1C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813948716 661021040 /nfs/dbraw/zinc/02/10/40/661021040.db2.gz LKPBUJNFILVGLF-UHFFFAOYSA-N -1 0 356.404 -0.463 20 0 FBADRM COc1cc(OC)cc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000813948734 661021068 /nfs/dbraw/zinc/02/10/68/661021068.db2.gz KAXILWFJOKUQNQ-UHFFFAOYSA-N -1 0 371.415 -0.158 20 0 FBADRM COc1ccc(OC)c(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000813948735 661021107 /nfs/dbraw/zinc/02/11/07/661021107.db2.gz KBLDPWGPOORLCV-UHFFFAOYSA-N -1 0 371.415 -0.158 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cn(C)nc2C2CC2)CC1 ZINC000813948741 661021083 /nfs/dbraw/zinc/02/10/83/661021083.db2.gz MUMNENMTNLDRQC-UHFFFAOYSA-N -1 0 355.420 -0.564 20 0 FBADRM CCc1noc(CCCC(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)n1 ZINC000813948764 661021123 /nfs/dbraw/zinc/02/11/23/661021123.db2.gz KPXMEVQEAQDNJU-UHFFFAOYSA-N -1 0 373.435 -0.520 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CSc2ccncc2)CC1 ZINC000813948860 661021062 /nfs/dbraw/zinc/02/10/62/661021062.db2.gz NBKPDMATCRUTQK-UHFFFAOYSA-N -1 0 358.445 -0.301 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C\c2cnccc2C)CC1 ZINC000813948891 661021094 /nfs/dbraw/zinc/02/10/94/661021094.db2.gz MMVQSODWRYWDIU-ARJAWSKDSA-N -1 0 352.416 -0.072 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C/c2cnccc2C)CC1 ZINC000813948893 661021034 /nfs/dbraw/zinc/02/10/34/661021034.db2.gz MMVQSODWRYWDIU-ONEGZZNKSA-N -1 0 352.416 -0.072 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCc2cnn(C)c2C)CC1 ZINC000813948897 661021051 /nfs/dbraw/zinc/02/10/51/661021051.db2.gz NKXGKGNKNBSTSU-UHFFFAOYSA-N -1 0 357.436 -0.814 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCOC[C@H]2CCCO2)CC1 ZINC000813948962 661021085 /nfs/dbraw/zinc/02/10/85/661021085.db2.gz OMFLUJJOPMVQHE-CYBMUJFWSA-N -1 0 363.436 -0.903 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCOC[C@@H]2CCCO2)CC1 ZINC000813948972 661021097 /nfs/dbraw/zinc/02/10/97/661021097.db2.gz OMFLUJJOPMVQHE-ZDUSSCGKSA-N -1 0 363.436 -0.903 20 0 FBADRM COc1cccc(OCC(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000813948990 661021046 /nfs/dbraw/zinc/02/10/46/661021046.db2.gz NSEXNHMODDRFIA-UHFFFAOYSA-N -1 0 371.415 -0.401 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2COc3ccccc32)CC1 ZINC000813949019 661021057 /nfs/dbraw/zinc/02/10/57/661021057.db2.gz MXMGXHVPPLLIKY-CYBMUJFWSA-N -1 0 353.400 -0.312 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2COc3ccccc32)CC1 ZINC000813949020 661021368 /nfs/dbraw/zinc/02/13/68/661021368.db2.gz MXMGXHVPPLLIKY-ZDUSSCGKSA-N -1 0 353.400 -0.312 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cn(C)nc2C(C)C)CC1 ZINC000813949062 661021354 /nfs/dbraw/zinc/02/13/54/661021354.db2.gz NSRSRDAJAYABCT-UHFFFAOYSA-N -1 0 357.436 -0.318 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCCC(=O)NC(C)C)CC1 ZINC000813949078 661021290 /nfs/dbraw/zinc/02/12/90/661021290.db2.gz OYCLDOLEYXAPKE-UHFFFAOYSA-N -1 0 362.452 -0.794 20 0 FBADRM COc1ccc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)c(OC)c1 ZINC000813949088 661021326 /nfs/dbraw/zinc/02/13/26/661021326.db2.gz OBEOPPXKTJLAPE-UHFFFAOYSA-N -1 0 371.415 -0.158 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)ncn3C)CC1 ZINC000813949100 661021410 /nfs/dbraw/zinc/02/14/10/661021410.db2.gz PDQIRISLNHSNTK-UHFFFAOYSA-N -1 0 365.415 -0.288 20 0 FBADRM COCc1nc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)cs1 ZINC000813949131 661021397 /nfs/dbraw/zinc/02/13/97/661021397.db2.gz PWQCLWDIARFTBF-UHFFFAOYSA-N -1 0 362.433 -0.572 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C(C)(C)c2cnn(C)c2)CC1 ZINC000813949144 661021348 /nfs/dbraw/zinc/02/13/48/661021348.db2.gz QBQLQBZWUMFORD-UHFFFAOYSA-N -1 0 357.436 -0.777 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]2CCCO2)CC1 ZINC000813949147 661021304 /nfs/dbraw/zinc/02/13/04/661021304.db2.gz QBRDWGBSDYKBJY-AAEUAGOBSA-N -1 0 363.436 -0.904 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@H]2CCCO2)CC1 ZINC000813949149 661021381 /nfs/dbraw/zinc/02/13/81/661021381.db2.gz QBRDWGBSDYKBJY-DGCLKSJQSA-N -1 0 363.436 -0.904 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@H]2CCCO2)CC1 ZINC000813949151 661021400 /nfs/dbraw/zinc/02/14/00/661021400.db2.gz QBRDWGBSDYKBJY-WCQYABFASA-N -1 0 363.436 -0.904 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@@H]2CCCO2)CC1 ZINC000813949152 661021390 /nfs/dbraw/zinc/02/13/90/661021390.db2.gz QBRDWGBSDYKBJY-YPMHNXCESA-N -1 0 363.436 -0.904 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C(C)(C)C2CCOCC2)CC1 ZINC000813949162 661021373 /nfs/dbraw/zinc/02/13/73/661021373.db2.gz PBNTVWIDFSMQHJ-UHFFFAOYSA-N -1 0 361.464 -0.036 20 0 FBADRM CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813949179 661021389 /nfs/dbraw/zinc/02/13/89/661021389.db2.gz QAEGXNSHIYPEEV-ZDUSSCGKSA-N -1 0 362.452 -0.938 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2n[nH]c3c2CCCCC3)CC1 ZINC000813949190 661021392 /nfs/dbraw/zinc/02/13/92/661021392.db2.gz QPLWDSLTYOXPAI-UHFFFAOYSA-N -1 0 369.447 -0.183 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCCOc2cccnc2)CC1 ZINC000813949224 661021363 /nfs/dbraw/zinc/02/13/63/661021363.db2.gz QTYMYIICNBJAOI-UHFFFAOYSA-N -1 0 370.431 -0.234 20 0 FBADRM CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813949234 661021337 /nfs/dbraw/zinc/02/13/37/661021337.db2.gz RAJOSJJSPMWTCI-UHFFFAOYSA-N -1 0 362.452 -0.792 20 0 FBADRM COC(=O)c1cccc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000813949247 661021351 /nfs/dbraw/zinc/02/13/51/661021351.db2.gz RJMVLHAKVGLRKG-UHFFFAOYSA-N -1 0 369.399 -0.388 20 0 FBADRM COCc1cccc(CC(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000813949259 661021365 /nfs/dbraw/zinc/02/13/65/661021365.db2.gz RBLLTPONLQDZGY-UHFFFAOYSA-N -1 0 369.443 -0.099 20 0 FBADRM COCc1ncsc1C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813949310 661021402 /nfs/dbraw/zinc/02/14/02/661021402.db2.gz RYLBWUDZZDXXMI-UHFFFAOYSA-N -1 0 362.433 -0.572 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)COc2cccc(C)c2)CC1 ZINC000813949385 661021356 /nfs/dbraw/zinc/02/13/56/661021356.db2.gz UFDKKERMDFEFCB-UHFFFAOYSA-N -1 0 355.416 -0.101 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCC(=O)OC(C)(C)C)CC1 ZINC000813949391 661021382 /nfs/dbraw/zinc/02/13/82/661021382.db2.gz VARHEVPIGYKZPI-UHFFFAOYSA-N -1 0 363.436 -0.367 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H](C)c2c(C)noc2C)CC1 ZINC000813949400 661021331 /nfs/dbraw/zinc/02/13/31/661021331.db2.gz VIXWGUQCROSNAE-SECBINFHSA-N -1 0 358.420 -0.080 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H](C)c2c(C)noc2C)CC1 ZINC000813949401 661021386 /nfs/dbraw/zinc/02/13/86/661021386.db2.gz VIXWGUQCROSNAE-VIFPVBQESA-N -1 0 358.420 -0.080 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 ZINC000813949484 661021358 /nfs/dbraw/zinc/02/13/58/661021358.db2.gz UXGWYZSOBHERAM-JTQLQIEISA-N -1 0 362.452 -0.938 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1 ZINC000813949485 661021408 /nfs/dbraw/zinc/02/14/08/661021408.db2.gz UXGWYZSOBHERAM-SNVBAGLBSA-N -1 0 362.452 -0.938 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cc(-c3ccoc3)n[nH]2)CC1 ZINC000813949508 661021411 /nfs/dbraw/zinc/02/14/11/661021411.db2.gz VHZVXEYNKVYVJL-UHFFFAOYSA-N -1 0 367.387 -0.192 20 0 FBADRM COc1cccnc1CC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813949541 661021384 /nfs/dbraw/zinc/02/13/84/661021384.db2.gz VYCLTKFENMQTKD-UHFFFAOYSA-N -1 0 356.404 -0.842 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)CC1 ZINC000813949603 661021297 /nfs/dbraw/zinc/02/12/97/661021297.db2.gz XHXIYYQOTYMFRI-CYBMUJFWSA-N -1 0 374.463 -0.984 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(CC(C)C)C2)CC1 ZINC000813949607 661021376 /nfs/dbraw/zinc/02/13/76/661021376.db2.gz XHXIYYQOTYMFRI-ZDUSSCGKSA-N -1 0 374.463 -0.984 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2Cc3ccc(F)cc32)CC1 ZINC000813949641 661021342 /nfs/dbraw/zinc/02/13/42/661021342.db2.gz XOQBJINSFRVJLR-AWEZNQCLSA-N -1 0 355.391 -0.010 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H](C)N(C)CC(F)(F)F)CC1 ZINC000813949645 661021345 /nfs/dbraw/zinc/02/13/45/661021345.db2.gz XPFLYEMVNMZXIO-SECBINFHSA-N -1 0 374.385 -0.606 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H](C)N(C)CC(F)(F)F)CC1 ZINC000813949646 661021276 /nfs/dbraw/zinc/02/12/76/661021276.db2.gz XPFLYEMVNMZXIO-VIFPVBQESA-N -1 0 374.385 -0.606 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2Cc3ccc(F)cc32)CC1 ZINC000813949649 661021398 /nfs/dbraw/zinc/02/13/98/661021398.db2.gz XOQBJINSFRVJLR-CQSZACIVSA-N -1 0 355.391 -0.010 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)Cc2ccc3c(c2)OCO3)CC1 ZINC000813949683 661021311 /nfs/dbraw/zinc/02/13/11/661021311.db2.gz BLUNMAQNLURFMD-UHFFFAOYSA-N -1 0 369.399 -0.517 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2c(C)nn3cccnc23)CC1 ZINC000813949704 661021646 /nfs/dbraw/zinc/02/16/46/661021646.db2.gz BSFVESWZUHIJTP-UHFFFAOYSA-N -1 0 366.403 -0.824 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cc(C(C)C)n(C)n2)CC1 ZINC000813949723 661021562 /nfs/dbraw/zinc/02/15/62/661021562.db2.gz YBMHCHHZRFPJJY-UHFFFAOYSA-N -1 0 357.436 -0.318 20 0 FBADRM COCc1ccc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000813949746 661021657 /nfs/dbraw/zinc/02/16/57/661021657.db2.gz CJBWSLRCZHXPDL-UHFFFAOYSA-N -1 0 355.416 -0.028 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2noc3c2CCCC3)CC1 ZINC000813949765 661021522 /nfs/dbraw/zinc/02/15/22/661021522.db2.gz CLPDCWGMKZMYMG-UHFFFAOYSA-N -1 0 356.404 -0.308 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)Cn2ncc3ccccc32)CC1 ZINC000813949824 661021631 /nfs/dbraw/zinc/02/16/31/661021631.db2.gz ZNRWOEXSLWOIDM-UHFFFAOYSA-N -1 0 365.415 -0.439 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccnc3c2ncn3C)CC1 ZINC000813949832 661021577 /nfs/dbraw/zinc/02/15/77/661021577.db2.gz ZAAXHPZYVGOCSQ-UHFFFAOYSA-N -1 0 366.403 -0.893 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cccc3nccnc32)CC1 ZINC000813949849 661021317 /nfs/dbraw/zinc/02/13/17/661021317.db2.gz PNIWUDMECDYCFE-UHFFFAOYSA-N -1 0 363.399 -0.232 20 0 FBADRM CSc1c(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)cnn1C ZINC000813949868 661021659 /nfs/dbraw/zinc/02/16/59/661021659.db2.gz DYRPLDSOMDXHGK-UHFFFAOYSA-N -1 0 361.449 -0.719 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCNC(=O)CC(C)C)CC1 ZINC000813949927 661021643 /nfs/dbraw/zinc/02/16/43/661021643.db2.gz QLWBWXGKSDHFME-UHFFFAOYSA-N -1 0 362.452 -0.936 20 0 FBADRM CC(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000813949997 661021534 /nfs/dbraw/zinc/02/15/34/661021534.db2.gz IAPOOZUUIADWAF-UHFFFAOYSA-N -1 0 368.415 -0.216 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCCCc2c[nH]nn2)CC1 ZINC000813950077 661021611 /nfs/dbraw/zinc/02/16/11/661021611.db2.gz JGQRRTJERJRDFT-UHFFFAOYSA-N -1 0 358.424 -0.957 20 0 FBADRM COc1cccc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)c1OC ZINC000813950113 661021600 /nfs/dbraw/zinc/02/16/00/661021600.db2.gz KBSQVAYMEZRJAU-UHFFFAOYSA-N -1 0 371.415 -0.158 20 0 FBADRM CC(=O)Nc1cccc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000813950114 661021637 /nfs/dbraw/zinc/02/16/37/661021637.db2.gz UPCKJYYRHGFQBF-UHFFFAOYSA-N -1 0 368.415 -0.216 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000813950134 661021526 /nfs/dbraw/zinc/02/15/26/661021526.db2.gz VAEDJJOXRZJYMZ-UHFFFAOYSA-N -1 0 357.436 -0.223 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CN2CCCCCCC2=O)CC1 ZINC000813950182 661021596 /nfs/dbraw/zinc/02/15/96/661021596.db2.gz LEKYCEOWGCVZRH-UHFFFAOYSA-N -1 0 374.463 -0.696 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CSCCS2)CC1 ZINC000813950215 661021554 /nfs/dbraw/zinc/02/15/54/661021554.db2.gz WVONQHUQHVRDLV-JTQLQIEISA-N -1 0 353.491 -0.640 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CSCCS2)CC1 ZINC000813950218 661021593 /nfs/dbraw/zinc/02/15/93/661021593.db2.gz WVONQHUQHVRDLV-SNVBAGLBSA-N -1 0 353.491 -0.640 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2occ3c2CCOC3)CC1 ZINC000813950221 661021638 /nfs/dbraw/zinc/02/16/38/661021638.db2.gz XBKAWVSEPDUJIQ-UHFFFAOYSA-N -1 0 357.388 -0.509 20 0 FBADRM CCC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)C1 ZINC000813950234 661021571 /nfs/dbraw/zinc/02/15/71/661021571.db2.gz LVORYJXYERRCFQ-CYBMUJFWSA-N -1 0 374.463 -0.840 20 0 FBADRM CCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)C1 ZINC000813950236 661021621 /nfs/dbraw/zinc/02/16/21/661021621.db2.gz LVORYJXYERRCFQ-ZDUSSCGKSA-N -1 0 374.463 -0.840 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC000813950286 661021549 /nfs/dbraw/zinc/02/15/49/661021549.db2.gz ZWMIPZJUVMZAGR-LLVKDONJSA-N -1 0 355.420 -0.960 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CCc3n[nH]cc3C2)CC1 ZINC000813950287 661021654 /nfs/dbraw/zinc/02/16/54/661021654.db2.gz ZWMIPZJUVMZAGR-NSHDSACASA-N -1 0 355.420 -0.960 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C\c2scnc2C)CC1 ZINC000813950306 661021581 /nfs/dbraw/zinc/02/15/81/661021581.db2.gz MNEUOMNESALDMW-ARJAWSKDSA-N -1 0 358.445 -0.010 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C/c2scnc2C)CC1 ZINC000813950307 661021649 /nfs/dbraw/zinc/02/16/49/661021649.db2.gz MNEUOMNESALDMW-ONEGZZNKSA-N -1 0 358.445 -0.010 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cnn(C)c2C2CC2)CC1 ZINC000813950321 661021663 /nfs/dbraw/zinc/02/16/63/661021663.db2.gz NDRJZPTUIAKCAO-UHFFFAOYSA-N -1 0 355.420 -0.564 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc3nsnc3c2)CC1 ZINC000813950339 661021565 /nfs/dbraw/zinc/02/15/65/661021565.db2.gz NQQAZGOJHCZFRH-UHFFFAOYSA-N -1 0 369.428 -0.170 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1F ZINC000813950341 661021608 /nfs/dbraw/zinc/02/16/08/661021608.db2.gz NQXNWMXWFPVXDA-UHFFFAOYSA-N -1 0 359.379 -0.027 20 0 FBADRM CC(=O)c1ccc(CC(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000813950389 661021627 /nfs/dbraw/zinc/02/16/27/661021627.db2.gz PJEGTUSAACLOQF-UHFFFAOYSA-N -1 0 367.427 -0.043 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCOC2CCOCC2)CC1 ZINC000813950457 661021651 /nfs/dbraw/zinc/02/16/51/661021651.db2.gz RARAQQXXDNNUIW-UHFFFAOYSA-N -1 0 363.436 -0.903 20 0 FBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)c1C ZINC000813950458 661021545 /nfs/dbraw/zinc/02/15/45/661021545.db2.gz RASDXKWQJHESAY-UHFFFAOYSA-N -1 0 357.436 -0.341 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCc2cncc(C)c2)CC1 ZINC000813950502 661021603 /nfs/dbraw/zinc/02/16/03/661021603.db2.gz SOCARYPFFACRMJ-UHFFFAOYSA-N -1 0 354.432 -0.152 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C[C@@H](C)n2nc(C)cc2C)CC1 ZINC000813950537 661021619 /nfs/dbraw/zinc/02/16/19/661021619.db2.gz UUPVAOSBSSZDAJ-CYBMUJFWSA-N -1 0 371.463 -0.024 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C[C@H](C)n2nc(C)cc2C)CC1 ZINC000813950538 661021586 /nfs/dbraw/zinc/02/15/86/661021586.db2.gz UUPVAOSBSSZDAJ-ZDUSSCGKSA-N -1 0 371.463 -0.024 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C(C)(C)c2cccnc2)CC1 ZINC000813950542 661021559 /nfs/dbraw/zinc/02/15/59/661021559.db2.gz VCXDPCNMCGWVPB-UHFFFAOYSA-N -1 0 354.432 -0.116 20 0 FBADRM COC(=O)c1coc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000813950552 661021517 /nfs/dbraw/zinc/02/15/17/661021517.db2.gz VSBGLFJUVSOBBH-UHFFFAOYSA-N -1 0 359.360 -0.795 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cnn3c2CCCC3)CC1 ZINC000813950564 661021588 /nfs/dbraw/zinc/02/15/88/661021588.db2.gz WBOSWHDIAAFPHD-UHFFFAOYSA-N -1 0 355.420 -0.642 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCCn2ccccc2=O)CC1 ZINC000813950574 661021528 /nfs/dbraw/zinc/02/15/28/661021528.db2.gz WRKYQUKFAVWAIV-UHFFFAOYSA-N -1 0 370.431 -0.846 20 0 FBADRM CCc1nc(CC(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)cs1 ZINC000813950578 661021624 /nfs/dbraw/zinc/02/16/24/661021624.db2.gz WSYVIAQHWRHMSR-UHFFFAOYSA-N -1 0 360.461 -0.227 20 0 FBADRM CCn1nc(C)c(CC(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)c1C ZINC000813950666 661021949 /nfs/dbraw/zinc/02/19/49/661021949.db2.gz AKOVYHITVINOSP-UHFFFAOYSA-N -1 0 371.463 -0.413 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2nc(C3CC3)oc2C)CC1 ZINC000813950847 661021846 /nfs/dbraw/zinc/02/18/46/661021846.db2.gz IXXNSNHCNYCXQT-UHFFFAOYSA-N -1 0 356.404 -0.001 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)COCc2ccccn2)CC1 ZINC000813950848 661021979 /nfs/dbraw/zinc/02/19/79/661021979.db2.gz IYOVQTIIPZHJRV-UHFFFAOYSA-N -1 0 356.404 -0.877 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccnn2CC(F)F)CC1 ZINC000813950935 661021957 /nfs/dbraw/zinc/02/19/57/661021957.db2.gz MNDFYJNFTWCOCT-UHFFFAOYSA-N -1 0 365.362 -0.713 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc3oc(=O)[nH]c3c2)CC1 ZINC000813951011 661021882 /nfs/dbraw/zinc/02/18/82/661021882.db2.gz PCHYANHJOIUXPC-UHFFFAOYSA-N -1 0 368.371 -0.328 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2cccc(OCC(N)=O)c2)cnn1C ZINC000813951153 661021868 /nfs/dbraw/zinc/02/18/68/661021868.db2.gz VRGGJVNNHCIOHC-UHFFFAOYSA-N -1 0 352.372 -0.289 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)Cn2c(=O)cnc3ccccc32)cnn1C ZINC000813951295 661021853 /nfs/dbraw/zinc/02/18/53/661021853.db2.gz BXZWQKMVRXQPTL-UHFFFAOYSA-N -1 0 361.383 -0.056 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2cn(C)nc2-c2cnn(C)c2)cnn1C ZINC000813951385 661021822 /nfs/dbraw/zinc/02/18/22/661021822.db2.gz GJHNSTWLSBKFRK-UHFFFAOYSA-N -1 0 363.403 -0.019 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)COc2ccc(C(N)=O)cc2)cnn1C ZINC000813951806 661021877 /nfs/dbraw/zinc/02/18/77/661021877.db2.gz BANXHOCVNBJAMD-UHFFFAOYSA-N -1 0 352.372 -0.289 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)Cc2ccc(-n3cnnn3)cc2)cnn1C ZINC000813952063 661021933 /nfs/dbraw/zinc/02/19/33/661021933.db2.gz WESOIZRBTVDKIR-UHFFFAOYSA-N -1 0 361.387 -0.248 20 0 FBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000813952083 661021962 /nfs/dbraw/zinc/02/19/62/661021962.db2.gz XLTFWVLBLYSVJS-UHFFFAOYSA-N -1 0 365.371 -0.004 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)CCCN2C(=O)NC(C)(C)C2=O)cnn1C ZINC000813952246 661021922 /nfs/dbraw/zinc/02/19/22/661021922.db2.gz HFUXMVMGSPFGMD-UHFFFAOYSA-N -1 0 371.419 -0.356 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2ccccc2OCC(N)=O)cnn1C ZINC000813952268 661021906 /nfs/dbraw/zinc/02/19/06/661021906.db2.gz FTIVHQLBUNQYFG-UHFFFAOYSA-N -1 0 352.372 -0.289 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2C)ccc1=O ZINC000813952354 661021835 /nfs/dbraw/zinc/02/18/35/661021835.db2.gz HWVCOLPKRBKNBC-UHFFFAOYSA-N -1 0 354.388 -0.345 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2c(Br)nnn2C)cnn1C ZINC000813952523 661021945 /nfs/dbraw/zinc/02/19/45/661021945.db2.gz KHMKQHVKWKEIPS-UHFFFAOYSA-N -1 0 363.197 -0.262 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2sccc2-n2cnnn2)cnn1C ZINC000813952581 661021982 /nfs/dbraw/zinc/02/19/82/661021982.db2.gz LCQJYPVNIVICRC-UHFFFAOYSA-N -1 0 353.389 -0.116 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)CSc2nnnn2C2CC2)cnn1C ZINC000813952904 661021927 /nfs/dbraw/zinc/02/19/27/661021927.db2.gz NFLMEQREHXANRL-UHFFFAOYSA-N -1 0 357.421 -0.353 20 0 FBADRM COc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)c2cnn(C)c2C)cc1 ZINC000813953400 661021896 /nfs/dbraw/zinc/02/18/96/661021896.db2.gz USZPLMOLBOYSLU-UHFFFAOYSA-N -1 0 366.399 -0.028 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)CN2C(=O)COc3ccccc32)cnn1C ZINC000813953485 661021914 /nfs/dbraw/zinc/02/19/14/661021914.db2.gz WYVZCXAUGSXTKI-UHFFFAOYSA-N -1 0 364.383 -0.041 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2ccc(OCC(N)=O)cc2)cnn1C ZINC000813953710 661021889 /nfs/dbraw/zinc/02/18/89/661021889.db2.gz ZYKIUTKCHIGEGA-UHFFFAOYSA-N -1 0 352.372 -0.289 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cnn1C ZINC000813954033 661021887 /nfs/dbraw/zinc/02/18/87/661021887.db2.gz LNJBGOBBZZJMNR-AWEZNQCLSA-N -1 0 369.403 -0.746 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cnn1C ZINC000813954034 661021860 /nfs/dbraw/zinc/02/18/60/661021860.db2.gz LNJBGOBBZZJMNR-CQSZACIVSA-N -1 0 369.403 -0.746 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCN2S(C)(=O)=O)cnn1C ZINC000813954324 661021848 /nfs/dbraw/zinc/02/18/48/661021848.db2.gz ULBBLOZNNIXAIF-JTQLQIEISA-N -1 0 364.449 -0.652 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@H]2CCCCN2S(C)(=O)=O)cnn1C ZINC000813954325 661021977 /nfs/dbraw/zinc/02/19/77/661021977.db2.gz ULBBLOZNNIXAIF-SNVBAGLBSA-N -1 0 364.449 -0.652 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)Cn2c3ccccc3n(C)c2=O)cnn1C ZINC000813954333 661021829 /nfs/dbraw/zinc/02/18/29/661021829.db2.gz VDWYBFNNRAMEGD-UHFFFAOYSA-N -1 0 363.399 -0.113 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cnn1C ZINC000813954558 661021893 /nfs/dbraw/zinc/02/18/93/661021893.db2.gz FLRVCEDGEFLNGA-MRVPVSSYSA-N -1 0 368.337 -0.056 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cnn1C ZINC000813954559 661021955 /nfs/dbraw/zinc/02/19/55/661021955.db2.gz FLRVCEDGEFLNGA-QMMMGPOBSA-N -1 0 368.337 -0.056 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2CC(F)F)cnn1C ZINC000813955026 661021973 /nfs/dbraw/zinc/02/19/73/661021973.db2.gz XEISGHIPOWAPRM-SECBINFHSA-N -1 0 352.363 -0.501 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2CC(F)F)cnn1C ZINC000813955027 661021873 /nfs/dbraw/zinc/02/18/73/661021873.db2.gz XEISGHIPOWAPRM-VIFPVBQESA-N -1 0 352.363 -0.501 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)Cn2nnc3ccccc3c2=O)cnn1C ZINC000813956005 661021825 /nfs/dbraw/zinc/02/18/25/661021825.db2.gz VCGKLFCISHXPRM-UHFFFAOYSA-N -1 0 362.371 -0.661 20 0 FBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2cnn(C)c2C)CCOCC1 ZINC000813956275 661021885 /nfs/dbraw/zinc/02/18/85/661021885.db2.gz IZMSTEIWXHYVCT-UHFFFAOYSA-N -1 0 359.404 -0.107 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000813956694 661021864 /nfs/dbraw/zinc/02/18/64/661021864.db2.gz OFKQPRBNZOBWGW-UHFFFAOYSA-N -1 0 352.438 -0.795 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2CC(F)(F)F)cnn1C ZINC000813956767 661021802 /nfs/dbraw/zinc/02/18/02/661021802.db2.gz QKCUEWHRNIHSMI-SECBINFHSA-N -1 0 370.353 -0.203 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2CC(F)(F)F)cnn1C ZINC000813956768 661021965 /nfs/dbraw/zinc/02/19/65/661021965.db2.gz QKCUEWHRNIHSMI-VIFPVBQESA-N -1 0 370.353 -0.203 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cnn1C ZINC000813956910 661021971 /nfs/dbraw/zinc/02/19/71/661021971.db2.gz UEFBTODGFIHEDM-NOZJJQNGSA-N -1 0 358.445 -0.013 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cnn1C ZINC000813956912 661021812 /nfs/dbraw/zinc/02/18/12/661021812.db2.gz UEFBTODGFIHEDM-RNCFNFMXSA-N -1 0 358.445 -0.013 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cnn1C ZINC000813956915 661021819 /nfs/dbraw/zinc/02/18/19/661021819.db2.gz UEFBTODGFIHEDM-TVQRCGJNSA-N -1 0 358.445 -0.013 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cnn1C ZINC000813956916 661022119 /nfs/dbraw/zinc/02/21/19/661022119.db2.gz UEFBTODGFIHEDM-ZANVPECISA-N -1 0 358.445 -0.013 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)c2cnn(C)c2C)C1=O ZINC000813956940 661022092 /nfs/dbraw/zinc/02/20/92/661022092.db2.gz UTXMADSBQVUMKJ-UHFFFAOYSA-N -1 0 371.419 -0.356 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2cn(Cc3ccccn3)nn2)cnn1C ZINC000813957222 661022180 /nfs/dbraw/zinc/02/21/80/661022180.db2.gz WYLUUZDIIMGYQL-UHFFFAOYSA-N -1 0 361.387 -0.118 20 0 FBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC000813977057 661022210 /nfs/dbraw/zinc/02/22/10/661022210.db2.gz DSMSPRVNOOEEKV-UHFFFAOYSA-N -1 0 357.388 -0.505 20 0 FBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC000813977071 661022195 /nfs/dbraw/zinc/02/21/95/661022195.db2.gz FKOSSQTXDCVFFO-UHFFFAOYSA-N -1 0 371.415 -0.163 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)CCNC(=O)OCc2ccccc2)nn1 ZINC000813977738 661022205 /nfs/dbraw/zinc/02/22/05/661022205.db2.gz SWJQEQZNLOPXNW-UHFFFAOYSA-N -1 0 367.387 -0.199 20 0 FBADRM Cn1nncc1C(=O)[N-]S(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC000813978004 661022240 /nfs/dbraw/zinc/02/22/40/661022240.db2.gz WUTAIXSZKCQRKI-UHFFFAOYSA-N -1 0 367.387 -0.199 20 0 FBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)CCNC(=O)OCc2ccccc2)n1 ZINC000813978351 661022230 /nfs/dbraw/zinc/02/22/30/661022230.db2.gz JUHUFKKXLXJLTH-UHFFFAOYSA-N -1 0 367.387 -0.199 20 0 FBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)CCNC(=O)OCc2ccccc2)n1 ZINC000813978803 661022185 /nfs/dbraw/zinc/02/21/85/661022185.db2.gz VGGSYBXTAWLSDW-UHFFFAOYSA-N -1 0 367.387 -0.199 20 0 FBADRM O=C(NCCS(=O)(=O)[N-]C(=O)[C@H]1COCCO1)OCc1ccccc1 ZINC000813978880 661022237 /nfs/dbraw/zinc/02/22/37/661022237.db2.gz PVIIPHMISZOCCJ-CYBMUJFWSA-N -1 0 372.399 -0.226 20 0 FBADRM O=C(NCCS(=O)(=O)[N-]C(=O)[C@@H]1COCCO1)OCc1ccccc1 ZINC000813978883 661022201 /nfs/dbraw/zinc/02/22/01/661022201.db2.gz PVIIPHMISZOCCJ-ZDUSSCGKSA-N -1 0 372.399 -0.226 20 0 FBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC000813979097 661022227 /nfs/dbraw/zinc/02/22/27/661022227.db2.gz RXEDVOPCAMYDBV-UHFFFAOYSA-N -1 0 373.387 -0.285 20 0 FBADRM CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC000813979142 661022212 /nfs/dbraw/zinc/02/22/12/661022212.db2.gz TVLPRSBNCRXSNW-LLVKDONJSA-N -1 0 371.415 -0.117 20 0 FBADRM CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC000813979145 661022192 /nfs/dbraw/zinc/02/21/92/661022192.db2.gz TVLPRSBNCRXSNW-NSHDSACASA-N -1 0 371.415 -0.117 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cccc(OCC(N)=O)c1 ZINC000813986008 661022533 /nfs/dbraw/zinc/02/25/33/661022533.db2.gz YBOLPXXQIVWEMV-UHFFFAOYSA-N -1 0 352.372 -0.289 20 0 FBADRM COc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)c2c(C)cnn2C)cc1 ZINC000813986100 661022446 /nfs/dbraw/zinc/02/24/46/661022446.db2.gz BTPLDLLEGSXNOL-UHFFFAOYSA-N -1 0 366.399 -0.028 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1ccccc1OCC(N)=O ZINC000813986131 661022500 /nfs/dbraw/zinc/02/25/00/661022500.db2.gz CWVIQPGGIHLYJH-UHFFFAOYSA-N -1 0 352.372 -0.289 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1c(Br)nnn1C ZINC000813986238 661022498 /nfs/dbraw/zinc/02/24/98/661022498.db2.gz FIPWGVQQUNTKHL-UHFFFAOYSA-N -1 0 363.197 -0.262 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)COc1ccc(C(N)=O)cc1 ZINC000813986589 661022508 /nfs/dbraw/zinc/02/25/08/661022508.db2.gz OHYKQLHQMOBZKB-UHFFFAOYSA-N -1 0 352.372 -0.289 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)cc1 ZINC000813986728 661022546 /nfs/dbraw/zinc/02/25/46/661022546.db2.gz HUZKWXYMGJTXKZ-UHFFFAOYSA-N -1 0 352.372 -0.289 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CN1C(=O)COc2ccccc21 ZINC000813986960 661022434 /nfs/dbraw/zinc/02/24/34/661022434.db2.gz XEHHHVCCTQYQBP-UHFFFAOYSA-N -1 0 364.383 -0.041 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000813987138 661022468 /nfs/dbraw/zinc/02/24/68/661022468.db2.gz CWDLGQBWCDKAJK-UHFFFAOYSA-N -1 0 365.371 -0.004 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC000813987259 661022512 /nfs/dbraw/zinc/02/25/12/661022512.db2.gz DUCQHKQPACDTDS-UHFFFAOYSA-N -1 0 363.403 -0.019 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)Cn1c(=O)cnc2ccccc21 ZINC000813987281 661022527 /nfs/dbraw/zinc/02/25/27/661022527.db2.gz FSBJAHMEAZBEEO-UHFFFAOYSA-N -1 0 361.383 -0.056 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1sccc1-n1cnnn1 ZINC000813987440 661022451 /nfs/dbraw/zinc/02/24/51/661022451.db2.gz VERBGSMWGOKTLD-UHFFFAOYSA-N -1 0 353.389 -0.116 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000813987551 661022539 /nfs/dbraw/zinc/02/25/39/661022539.db2.gz WQLVLFKXXJTOIR-UHFFFAOYSA-N -1 0 371.419 -0.356 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)c2c(C)cnn2C)ccc1=O ZINC000813987599 661022525 /nfs/dbraw/zinc/02/25/25/661022525.db2.gz YJCJMFCQBIASML-UHFFFAOYSA-N -1 0 354.388 -0.345 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000813987706 661022465 /nfs/dbraw/zinc/02/24/65/661022465.db2.gz MUHXVUKHWLIVMM-UHFFFAOYSA-N -1 0 361.387 -0.248 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000813988172 661022472 /nfs/dbraw/zinc/02/24/72/661022472.db2.gz CTYIFQZENWPYEE-AWEZNQCLSA-N -1 0 369.403 -0.746 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000813988173 661022544 /nfs/dbraw/zinc/02/25/44/661022544.db2.gz CTYIFQZENWPYEE-CQSZACIVSA-N -1 0 369.403 -0.746 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000813988183 661022530 /nfs/dbraw/zinc/02/25/30/661022530.db2.gz DARIDLPNTKGDCJ-JTQLQIEISA-N -1 0 364.449 -0.652 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000813988184 661022535 /nfs/dbraw/zinc/02/25/35/661022535.db2.gz DARIDLPNTKGDCJ-SNVBAGLBSA-N -1 0 364.449 -0.652 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CSc1nnnn1C1CC1 ZINC000813988411 661022522 /nfs/dbraw/zinc/02/25/22/661022522.db2.gz JOQDIWGVAMDGHX-UHFFFAOYSA-N -1 0 357.421 -0.353 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)Cn1c2ccccc2n(C)c1=O ZINC000813988836 661022524 /nfs/dbraw/zinc/02/25/24/661022524.db2.gz QXZDBILTERMKTB-UHFFFAOYSA-N -1 0 363.399 -0.113 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)F ZINC000813989352 661022510 /nfs/dbraw/zinc/02/25/10/661022510.db2.gz CGJOWYFKZBNISC-SECBINFHSA-N -1 0 352.363 -0.501 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)F ZINC000813989353 661022457 /nfs/dbraw/zinc/02/24/57/661022457.db2.gz CGJOWYFKZBNISC-VIFPVBQESA-N -1 0 352.363 -0.501 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000813989548 661022495 /nfs/dbraw/zinc/02/24/95/661022495.db2.gz MBUPWZHMFDQYJV-MRVPVSSYSA-N -1 0 368.337 -0.056 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000813989549 661022537 /nfs/dbraw/zinc/02/25/37/661022537.db2.gz MBUPWZHMFDQYJV-QMMMGPOBSA-N -1 0 368.337 -0.056 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)c1c(C)cnn1C ZINC000813989967 661022520 /nfs/dbraw/zinc/02/25/20/661022520.db2.gz CMWKHQQDBTXNJU-UHFFFAOYSA-N -1 0 352.438 -0.795 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000813990294 661022485 /nfs/dbraw/zinc/02/24/85/661022485.db2.gz HDXXAJGRRXUAAY-GHMZBOCLSA-N -1 0 368.415 -0.291 20 0 FBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2c(C)cnn2C)CCOCC1 ZINC000813990295 661022548 /nfs/dbraw/zinc/02/25/48/661022548.db2.gz HQWLSQWPCWWQMF-UHFFFAOYSA-N -1 0 359.404 -0.107 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000813990299 661022505 /nfs/dbraw/zinc/02/25/05/661022505.db2.gz HDXXAJGRRXUAAY-PHIMTYICSA-N -1 0 368.415 -0.291 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000813990300 661022478 /nfs/dbraw/zinc/02/24/78/661022478.db2.gz HDXXAJGRRXUAAY-QWRGUYRKSA-N -1 0 368.415 -0.291 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)Cn1nnc2ccccc2c1=O ZINC000813990605 661022490 /nfs/dbraw/zinc/02/24/90/661022490.db2.gz NTIQNHHLOOVGEF-UHFFFAOYSA-N -1 0 362.371 -0.661 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000813991096 661022526 /nfs/dbraw/zinc/02/25/26/661022526.db2.gz VZMQRUYOUQYYOZ-UHFFFAOYSA-N -1 0 369.403 -0.602 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)(F)F ZINC000813991125 661022487 /nfs/dbraw/zinc/02/24/87/661022487.db2.gz WWPIUPYHIIHKNZ-SECBINFHSA-N -1 0 370.353 -0.203 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000813991126 661022420 /nfs/dbraw/zinc/02/24/20/661022420.db2.gz WWPIUPYHIIHKNZ-VIFPVBQESA-N -1 0 370.353 -0.203 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000813991599 661022528 /nfs/dbraw/zinc/02/25/28/661022528.db2.gz LTUVNPHDMWGJAI-NOZJJQNGSA-N -1 0 358.445 -0.013 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000813991601 661022441 /nfs/dbraw/zinc/02/24/41/661022441.db2.gz LTUVNPHDMWGJAI-RNCFNFMXSA-N -1 0 358.445 -0.013 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000813991603 661022529 /nfs/dbraw/zinc/02/25/29/661022529.db2.gz LTUVNPHDMWGJAI-TVQRCGJNSA-N -1 0 358.445 -0.013 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000813991604 661022532 /nfs/dbraw/zinc/02/25/32/661022532.db2.gz LTUVNPHDMWGJAI-ZANVPECISA-N -1 0 358.445 -0.013 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)c2c(C)cnn2C)C1=O ZINC000813991935 661022502 /nfs/dbraw/zinc/02/25/02/661022502.db2.gz QSLSCVJWPWOUQT-UHFFFAOYSA-N -1 0 371.419 -0.356 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000813992246 661022427 /nfs/dbraw/zinc/02/24/27/661022427.db2.gz XZCQZQDBGMRLSW-HTQZYQBOSA-N -1 0 368.337 -0.009 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000813992247 661022932 /nfs/dbraw/zinc/02/29/32/661022932.db2.gz XZCQZQDBGMRLSW-JGVFFNPUSA-N -1 0 368.337 -0.009 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000813992249 661022867 /nfs/dbraw/zinc/02/28/67/661022867.db2.gz XZCQZQDBGMRLSW-SFYZADRCSA-N -1 0 368.337 -0.009 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000813992251 661022771 /nfs/dbraw/zinc/02/27/71/661022771.db2.gz XZCQZQDBGMRLSW-YUMQZZPRSA-N -1 0 368.337 -0.009 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cn(Cc2ccccn2)nn1 ZINC000813992281 661022883 /nfs/dbraw/zinc/02/28/83/661022883.db2.gz YVYQBYNRHUSPQF-UHFFFAOYSA-N -1 0 361.387 -0.118 20 0 FBADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cn(CC(N)=O)nn1 ZINC000814023619 661022929 /nfs/dbraw/zinc/02/29/29/661022929.db2.gz ZZBCIDGBSWFQHM-GFCCVEGCSA-N -1 0 351.388 -0.026 20 0 FBADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cn(CC(N)=O)nn1 ZINC000814023620 661022804 /nfs/dbraw/zinc/02/28/04/661022804.db2.gz ZZBCIDGBSWFQHM-LBPRGKRZSA-N -1 0 351.388 -0.026 20 0 FBADRM O=C([O-])COCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000814319745 661024480 /nfs/dbraw/zinc/02/44/80/661024480.db2.gz PCXXFJXCPGLBDQ-UHFFFAOYSA-N -1 0 358.372 -0.253 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000815046296 661026443 /nfs/dbraw/zinc/02/64/43/661026443.db2.gz PGOXEYKZFZLTCI-MRVPVSSYSA-N -1 0 370.391 -0.103 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000815046297 661026406 /nfs/dbraw/zinc/02/64/06/661026406.db2.gz PGOXEYKZFZLTCI-QMMMGPOBSA-N -1 0 370.391 -0.103 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000815098006 661027297 /nfs/dbraw/zinc/02/72/97/661027297.db2.gz ZXIOSNHLPLVZHH-UHFFFAOYSA-N -1 0 370.391 -0.103 20 0 FBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)[N-]OCc2ccccc2)C1 ZINC000815267780 661028622 /nfs/dbraw/zinc/02/86/22/661028622.db2.gz GDBQNWHRTKXXLX-CYBMUJFWSA-N -1 0 371.415 -0.307 20 0 FBADRM NS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)[N-]OCc2ccccc2)C1 ZINC000815267784 661028601 /nfs/dbraw/zinc/02/86/01/661028601.db2.gz GDBQNWHRTKXXLX-ZDUSSCGKSA-N -1 0 371.415 -0.307 20 0 FBADRM Cn1cnn(CCC(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)c1=O ZINC000815272266 661028836 /nfs/dbraw/zinc/02/88/36/661028836.db2.gz QBSRCSHAIKFZJX-UHFFFAOYSA-N -1 0 365.371 -0.463 20 0 FBADRM CCOC(=O)c1cc(COC)cc(NC(=O)C(=O)[N-]OCC(N)=O)c1 ZINC000815614489 661030268 /nfs/dbraw/zinc/03/02/68/661030268.db2.gz RSPRZWJRYALYBI-UHFFFAOYSA-N -1 0 353.331 -0.519 20 0 FBADRM CCO[N-]C(=O)C(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1 ZINC000815614515 661030495 /nfs/dbraw/zinc/03/04/95/661030495.db2.gz SCWZBANZWIVUHZ-UHFFFAOYSA-N -1 0 351.363 -0.024 20 0 FBADRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000815711439 661031067 /nfs/dbraw/zinc/03/10/67/661031067.db2.gz PMOHAKGYVIYZAI-JTQLQIEISA-N -1 0 350.375 -0.066 20 0 FBADRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000815711440 661031054 /nfs/dbraw/zinc/03/10/54/661031054.db2.gz PMOHAKGYVIYZAI-SNVBAGLBSA-N -1 0 350.375 -0.066 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)CCn2ncn(C)c2=O)cc1 ZINC000815892948 661031419 /nfs/dbraw/zinc/03/14/19/661031419.db2.gz KNHIESNVLCMNJS-UHFFFAOYSA-N -1 0 367.387 -0.565 20 0 FBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1=O ZINC000815893367 661031345 /nfs/dbraw/zinc/03/13/45/661031345.db2.gz BRUWANQHBCUJEQ-UHFFFAOYSA-N -1 0 368.371 -0.752 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CCn2ncn(C)c2=O)cc1 ZINC000815893510 661031222 /nfs/dbraw/zinc/03/12/22/661031222.db2.gz HUCVBHMLIZZDTN-UHFFFAOYSA-N -1 0 354.388 -0.124 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCn2ncn(C)c2=O)cc1 ZINC000815893946 661031367 /nfs/dbraw/zinc/03/13/67/661031367.db2.gz CLQGZHDMNFLKGU-UHFFFAOYSA-N -1 0 352.372 -0.320 20 0 FBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)n1 ZINC000815894176 661031297 /nfs/dbraw/zinc/03/12/97/661031297.db2.gz NRABEJJJBWPCNP-UHFFFAOYSA-N -1 0 362.375 -0.299 20 0 FBADRM O=C(CN1CCCCC1=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000815894683 661031231 /nfs/dbraw/zinc/03/12/31/661031231.db2.gz LDBFQGPBBDDQOO-UHFFFAOYSA-N -1 0 364.387 -0.520 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CCn2ncn(C)c2=O)cc1OC ZINC000815894794 661031286 /nfs/dbraw/zinc/03/12/86/661031286.db2.gz QBMZMVWDZQHRRG-UHFFFAOYSA-N -1 0 370.387 -0.506 20 0 FBADRM COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)CCn2ncn(C)c2=O)c1 ZINC000815894924 661031293 /nfs/dbraw/zinc/03/12/93/661031293.db2.gz WKZMMHRQOWHKFL-UHFFFAOYSA-N -1 0 370.387 -0.506 20 0 FBADRM COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)CCn1ncn(C)c1=O ZINC000815895560 661031279 /nfs/dbraw/zinc/03/12/79/661031279.db2.gz XSHXRFMOYMKFMR-UHFFFAOYSA-N -1 0 374.400 -0.675 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cccnc1)n1cccn1 ZINC000815895951 661031338 /nfs/dbraw/zinc/03/13/38/661031338.db2.gz MHHWCPCIRPWGEW-LLVKDONJSA-N -1 0 351.388 -0.197 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cccnc1)n1cccn1 ZINC000815895952 661031415 /nfs/dbraw/zinc/03/14/15/661031415.db2.gz MHHWCPCIRPWGEW-NSHDSACASA-N -1 0 351.388 -0.197 20 0 FBADRM O=C([N-]S(=O)(=O)c1cccnc1)c1ccc2c(c1)NC(=O)CNC2=O ZINC000815896070 661031711 /nfs/dbraw/zinc/03/17/11/661031711.db2.gz RALCEDJJTZDYLK-UHFFFAOYSA-N -1 0 360.351 -0.118 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCn2ncn(C)c2=O)c1 ZINC000815896392 661031538 /nfs/dbraw/zinc/03/15/38/661031538.db2.gz DRABAHONNDSQIH-UHFFFAOYSA-N -1 0 352.372 -0.320 20 0 FBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c[nH]1 ZINC000815896492 661031657 /nfs/dbraw/zinc/03/16/57/661031657.db2.gz JDJJUYFUEWOFNS-UHFFFAOYSA-N -1 0 354.344 -0.643 20 0 FBADRM Cn1cc(CC(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c(Cl)n1 ZINC000815896550 661031678 /nfs/dbraw/zinc/03/16/78/661031678.db2.gz KLIDDHNACISUAC-UHFFFAOYSA-N -1 0 359.795 -0.442 20 0 FBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)n1C ZINC000815896660 661031510 /nfs/dbraw/zinc/03/15/10/661031510.db2.gz OKPNBDSGFJJQON-UHFFFAOYSA-N -1 0 368.371 -0.632 20 0 FBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2ncccc2C(=O)N(C)C)n1 ZINC000815896947 661031594 /nfs/dbraw/zinc/03/15/94/661031594.db2.gz AMNUXRHNZRBLSZ-UHFFFAOYSA-N -1 0 366.403 -0.178 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)CN1CCCCC1=O ZINC000815897032 661031726 /nfs/dbraw/zinc/03/17/26/661031726.db2.gz DKRLFVWVGIAAFK-UHFFFAOYSA-N -1 0 368.415 -0.399 20 0 FBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C ZINC000815897070 661031705 /nfs/dbraw/zinc/03/17/05/661031705.db2.gz GJELGKPXCVVNSO-UHFFFAOYSA-N -1 0 352.376 -0.487 20 0 FBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)c2ncccc2C(=O)N(C)C)n1 ZINC000815897227 661031543 /nfs/dbraw/zinc/03/15/43/661031543.db2.gz LYUQXEBSXUZOGQ-UHFFFAOYSA-N -1 0 352.376 -0.487 20 0 FBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1=O ZINC000815898924 661031708 /nfs/dbraw/zinc/03/17/08/661031708.db2.gz YKYNTSDEIKLKDD-UHFFFAOYSA-N -1 0 350.400 -0.034 20 0 FBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)Cc2noc3ccccc32)c1=O ZINC000815899790 661031666 /nfs/dbraw/zinc/03/16/66/661031666.db2.gz CIGMTLBMKNWRSD-UHFFFAOYSA-N -1 0 365.371 -0.241 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cn1 ZINC000815899900 661031508 /nfs/dbraw/zinc/03/15/08/661031508.db2.gz HDPOIYDCBGIQOE-PHIMTYICSA-N -1 0 352.372 -0.824 20 0 FBADRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)COCc1nncn1C ZINC000815900066 661031548 /nfs/dbraw/zinc/03/15/48/661031548.db2.gz NMKOXHGWUQOCQL-UHFFFAOYSA-N -1 0 353.404 -0.175 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)cn1 ZINC000815900114 661031714 /nfs/dbraw/zinc/03/17/14/661031714.db2.gz PCCGPYFKBPWLBL-MRVPVSSYSA-N -1 0 354.310 -0.222 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)cn1 ZINC000815900115 661031613 /nfs/dbraw/zinc/03/16/13/661031613.db2.gz PCCGPYFKBPWLBL-QMMMGPOBSA-N -1 0 354.310 -0.222 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cnn(C)c1)n1cccn1 ZINC000815900207 661031645 /nfs/dbraw/zinc/03/16/45/661031645.db2.gz UJYDVTWXTNLHPC-JTQLQIEISA-N -1 0 354.392 -0.859 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cnn(C)c1)n1cccn1 ZINC000815900208 661031598 /nfs/dbraw/zinc/03/15/98/661031598.db2.gz UJYDVTWXTNLHPC-SNVBAGLBSA-N -1 0 354.392 -0.859 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)NC(=O)CNC3=O)cn1 ZINC000815900239 661031524 /nfs/dbraw/zinc/03/15/24/661031524.db2.gz VQCHFQLPVYYYGT-UHFFFAOYSA-N -1 0 363.355 -0.779 20 0 FBADRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)CCn1ncn(C)c1=O ZINC000815900307 661031669 /nfs/dbraw/zinc/03/16/69/661031669.db2.gz XVDSXWWBMVSCQZ-UHFFFAOYSA-N -1 0 353.404 -0.535 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)nnn1-c1ccn(C)n1 ZINC000815900338 661031630 /nfs/dbraw/zinc/03/16/30/661031630.db2.gz YQRUGKNXCXVMBH-UHFFFAOYSA-N -1 0 350.364 -0.839 20 0 FBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000815915194 661031716 /nfs/dbraw/zinc/03/17/16/661031716.db2.gz GLKSUKRTDQZQBO-UHFFFAOYSA-N -1 0 358.401 -0.180 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)CN2CCCCC2=O)c1 ZINC000815915247 661031617 /nfs/dbraw/zinc/03/16/17/661031617.db2.gz ISTPJKCYIMUABV-UHFFFAOYSA-N -1 0 374.440 -0.093 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCn2ncn(C)c2=O)s1 ZINC000815915376 661031515 /nfs/dbraw/zinc/03/15/15/661031515.db2.gz MREOVQIYVIXHCE-UHFFFAOYSA-N -1 0 374.400 -0.675 20 0 FBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)n1 ZINC000815915518 661031654 /nfs/dbraw/zinc/03/16/54/661031654.db2.gz QXLCBAOJWLPIAK-UHFFFAOYSA-N -1 0 362.375 -0.393 20 0 FBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000815915760 661031552 /nfs/dbraw/zinc/03/15/52/661031552.db2.gz YJUDHWNFKFZNGY-UHFFFAOYSA-N -1 0 362.375 -0.393 20 0 FBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)n1 ZINC000815915869 661031674 /nfs/dbraw/zinc/03/16/74/661031674.db2.gz CKRGIXOJDZVADL-UHFFFAOYSA-N -1 0 358.401 -0.180 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CN2CCCCC2=O)CC1 ZINC000815919506 661031922 /nfs/dbraw/zinc/03/19/22/661031922.db2.gz BQQAAJIHJREGAD-UHFFFAOYSA-N -1 0 361.420 -0.755 20 0 FBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)OC)CC2)c[nH]1 ZINC000815919604 661031855 /nfs/dbraw/zinc/03/18/55/661031855.db2.gz GMVNRAXXOPZCKB-UHFFFAOYSA-N -1 0 373.387 -0.339 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCCC1)c1ccc2c(c1)NC(=O)CNC2=O ZINC000815919654 661031937 /nfs/dbraw/zinc/03/19/37/661031937.db2.gz IQWPPOHTBXEQOP-UHFFFAOYSA-N -1 0 352.372 -0.561 20 0 FBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)OC)CC2)n1 ZINC000815919925 661031988 /nfs/dbraw/zinc/03/19/88/661031988.db2.gz SHPNAWZBGSXKSD-UHFFFAOYSA-N -1 0 359.408 -0.534 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCCCC1)c1ccc2c(c1)NC(=O)CNC2=O ZINC000815920220 661031813 /nfs/dbraw/zinc/03/18/13/661031813.db2.gz CDEQKTPOASJGBA-UHFFFAOYSA-N -1 0 366.399 -0.171 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)N2CCCCC2)nnn1-c1ccn(C)n1 ZINC000815920604 661031841 /nfs/dbraw/zinc/03/18/41/661031841.db2.gz LQLUPDYJFGMSKD-UHFFFAOYSA-N -1 0 353.408 -0.230 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000815920736 661031824 /nfs/dbraw/zinc/03/18/24/661031824.db2.gz OIKXTUQVRPAGSA-TXEJJXNPSA-N -1 0 355.416 -0.216 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)N1CCCCC1)n1cccn1 ZINC000815921036 661031944 /nfs/dbraw/zinc/03/19/44/661031944.db2.gz VNNGPGREWNCSEM-GFCCVEGCSA-N -1 0 357.436 -0.251 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)N1CCCCC1)n1cccn1 ZINC000815921037 661031816 /nfs/dbraw/zinc/03/18/16/661031816.db2.gz VNNGPGREWNCSEM-LBPRGKRZSA-N -1 0 357.436 -0.251 20 0 FBADRM NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CN2CCCCC2=O)cc1 ZINC000815922020 661031865 /nfs/dbraw/zinc/03/18/65/661031865.db2.gz ALEPHEVQQJQVPG-UHFFFAOYSA-N -1 0 368.415 -0.328 20 0 FBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)c2ccc(CNC(N)=O)cc2)n1 ZINC000815922280 661031914 /nfs/dbraw/zinc/03/19/14/661031914.db2.gz IWVPRXYXAFGACV-UHFFFAOYSA-N -1 0 352.376 -0.415 20 0 FBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000815922664 661031893 /nfs/dbraw/zinc/03/18/93/661031893.db2.gz WQXHSVMVAHYGJO-UHFFFAOYSA-N -1 0 352.376 -0.415 20 0 FBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(CNC(N)=O)cc2)n1 ZINC000815922715 661031952 /nfs/dbraw/zinc/03/19/52/661031952.db2.gz YRSGZLLMAXCZFS-UHFFFAOYSA-N -1 0 366.403 -0.107 20 0 FBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)c1=O ZINC000815927367 661031927 /nfs/dbraw/zinc/03/19/27/661031927.db2.gz CFYBWIABCVXQIB-UHFFFAOYSA-N -1 0 359.795 -0.334 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCn2ncn(C)c2=O)c1 ZINC000815927744 661031904 /nfs/dbraw/zinc/03/19/04/661031904.db2.gz NXTGQKKERTWLMG-UHFFFAOYSA-N -1 0 368.371 -0.736 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)COCc2nncn2C)c1 ZINC000815927966 661031849 /nfs/dbraw/zinc/03/18/49/661031849.db2.gz WVPBBTBIWKSQFI-UHFFFAOYSA-N -1 0 368.371 -0.377 20 0 FBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)N2CCc3ccccc3C2)c1=O ZINC000815931697 661031881 /nfs/dbraw/zinc/03/18/81/661031881.db2.gz LQNWANOXEMRSBO-UHFFFAOYSA-N -1 0 365.415 -0.609 20 0 FBADRM Cn1cnnc1COCC(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1 ZINC000815932086 661031846 /nfs/dbraw/zinc/03/18/46/661031846.db2.gz WWCJMUAABJKJQT-UHFFFAOYSA-N -1 0 365.415 -0.249 20 0 FBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)N2CCCc3ccccc32)c1=O ZINC000815932127 661031827 /nfs/dbraw/zinc/03/18/27/661031827.db2.gz XPWSISKEKZXMBR-UHFFFAOYSA-N -1 0 365.415 -0.214 20 0 FBADRM Cn1cnnc1COCC(=O)[N-]S(=O)(=O)N1CCc2sccc2C1 ZINC000815932219 661031969 /nfs/dbraw/zinc/03/19/69/661031969.db2.gz AJICCGCHXJHQOQ-UHFFFAOYSA-N -1 0 371.444 -0.188 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)nnn1-c1ccn(C)n1 ZINC000815932286 661031871 /nfs/dbraw/zinc/03/18/71/661031871.db2.gz BZQNFUOCDLKGSG-LLVKDONJSA-N -1 0 368.419 -0.062 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)nnn1-c1ccn(C)n1 ZINC000815932287 661031983 /nfs/dbraw/zinc/03/19/83/661031983.db2.gz BZQNFUOCDLKGSG-NSHDSACASA-N -1 0 368.419 -0.062 20 0 FBADRM Cn1cnnc1COCC(=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000815932306 661031900 /nfs/dbraw/zinc/03/19/00/661031900.db2.gz CLWPQJHHROKFOC-UHFFFAOYSA-N -1 0 351.388 -0.245 20 0 FBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)N2CCc3ccccc32)c1=O ZINC000815932345 661032000 /nfs/dbraw/zinc/03/20/00/661032000.db2.gz DQUSQWGBNBLKJP-UHFFFAOYSA-N -1 0 351.388 -0.604 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000815932447 661031940 /nfs/dbraw/zinc/03/19/40/661031940.db2.gz GWXURLOZXOPPRI-RWMBFGLXSA-N -1 0 370.427 -0.047 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000815932448 661031887 /nfs/dbraw/zinc/03/18/87/661031887.db2.gz GWXURLOZXOPPRI-UPJWGTAASA-N -1 0 370.427 -0.047 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1)n1cccn1 ZINC000815932458 661031839 /nfs/dbraw/zinc/03/18/39/661031839.db2.gz HGXXPICRAPSUFY-CHWSQXEVSA-N -1 0 372.447 -0.082 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1)n1cccn1 ZINC000815932459 661031934 /nfs/dbraw/zinc/03/19/34/661031934.db2.gz HGXXPICRAPSUFY-OLZOCXBDSA-N -1 0 372.447 -0.082 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1)n1cccn1 ZINC000815932460 661031834 /nfs/dbraw/zinc/03/18/34/661031834.db2.gz HGXXPICRAPSUFY-QWHCGFSZSA-N -1 0 372.447 -0.082 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1)n1cccn1 ZINC000815932461 661031930 /nfs/dbraw/zinc/03/19/30/661031930.db2.gz HGXXPICRAPSUFY-STQMWFEESA-N -1 0 372.447 -0.082 20 0 FBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)N2CCc3sccc3C2)c1=O ZINC000815932871 661031876 /nfs/dbraw/zinc/03/18/76/661031876.db2.gz TXVDNYYWSISVRJ-UHFFFAOYSA-N -1 0 371.444 -0.547 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1nn(CC)nc1C ZINC000815940095 661031814 /nfs/dbraw/zinc/03/18/14/661031814.db2.gz KDHCWFXJEUKMHQ-JTQLQIEISA-N -1 0 359.408 -0.391 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1nn(CC)nc1C ZINC000815940096 661031868 /nfs/dbraw/zinc/03/18/68/661031868.db2.gz KDHCWFXJEUKMHQ-SNVBAGLBSA-N -1 0 359.408 -0.391 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CN1CCCCC1=O ZINC000815940103 661031986 /nfs/dbraw/zinc/03/19/86/661031986.db2.gz KIQYDTKIHSCZIO-LLVKDONJSA-N -1 0 361.420 -0.613 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CN1CCCCC1=O ZINC000815940104 661031949 /nfs/dbraw/zinc/03/19/49/661031949.db2.gz KIQYDTKIHSCZIO-NSHDSACASA-N -1 0 361.420 -0.613 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)OC)c1 ZINC000815940400 661032261 /nfs/dbraw/zinc/03/22/61/661032261.db2.gz UHSKIVOCSDLRFB-LLVKDONJSA-N -1 0 373.387 -0.197 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)OC)c1 ZINC000815940401 661032192 /nfs/dbraw/zinc/03/21/92/661032192.db2.gz UHSKIVOCSDLRFB-NSHDSACASA-N -1 0 373.387 -0.197 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC000815944973 661032180 /nfs/dbraw/zinc/03/21/80/661032180.db2.gz QQJURXPUNFPAOR-UHFFFAOYSA-N -1 0 355.372 -0.535 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1cnn(C)c1I ZINC000815945573 661032242 /nfs/dbraw/zinc/03/22/42/661032242.db2.gz LETLBFYPSMVKEJ-UHFFFAOYSA-N -1 0 373.172 -0.269 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CN2CCCCC2=O)cc1C(N)=O ZINC000815946013 661032188 /nfs/dbraw/zinc/03/21/88/661032188.db2.gz ACQNKXVMYNNMNN-UHFFFAOYSA-N -1 0 353.400 -0.089 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC000815948471 661032215 /nfs/dbraw/zinc/03/22/15/661032215.db2.gz KZDHFTDYSCXBJY-MRVPVSSYSA-N -1 0 355.372 -0.537 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC000815948472 661032239 /nfs/dbraw/zinc/03/22/39/661032239.db2.gz KZDHFTDYSCXBJY-QMMMGPOBSA-N -1 0 355.372 -0.537 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1nnn(-c2ccn(C)n2)c1C ZINC000815949007 661032249 /nfs/dbraw/zinc/03/22/49/661032249.db2.gz AAJSKGPVWNMLCS-UHFFFAOYSA-N -1 0 370.391 -0.678 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000815949470 661032146 /nfs/dbraw/zinc/03/21/46/661032146.db2.gz NBGVXZYSTPHKPA-LLVKDONJSA-N -1 0 374.419 -0.698 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000815949471 661032223 /nfs/dbraw/zinc/03/22/23/661032223.db2.gz NBGVXZYSTPHKPA-NSHDSACASA-N -1 0 374.419 -0.698 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000815949480 661032130 /nfs/dbraw/zinc/03/21/30/661032130.db2.gz NUYJZCQAZCDJFI-MRVPVSSYSA-N -1 0 374.337 -0.061 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000815949481 661032234 /nfs/dbraw/zinc/03/22/34/661032234.db2.gz NUYJZCQAZCDJFI-QMMMGPOBSA-N -1 0 374.337 -0.061 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000815949541 661032195 /nfs/dbraw/zinc/03/21/95/661032195.db2.gz QHTLZNZFUYZZLR-PHIMTYICSA-N -1 0 372.399 -0.663 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccccn1)n1cccn1 ZINC000815952500 661032237 /nfs/dbraw/zinc/03/22/37/661032237.db2.gz NAOBVLPXQIFFCZ-LLVKDONJSA-N -1 0 351.388 -0.197 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccccn1)n1cccn1 ZINC000815952501 661032136 /nfs/dbraw/zinc/03/21/36/661032136.db2.gz NAOBVLPXQIFFCZ-NSHDSACASA-N -1 0 351.388 -0.197 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccccn1)c1ccc2c(c1)NC(=O)CNC2=O ZINC000815952571 661032150 /nfs/dbraw/zinc/03/21/50/661032150.db2.gz OWTHIXBBQOVJRP-UHFFFAOYSA-N -1 0 360.351 -0.118 20 0 FBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000815953215 661032211 /nfs/dbraw/zinc/03/22/11/661032211.db2.gz KLOLFKLMNRTHOS-UHFFFAOYSA-N -1 0 358.401 -0.180 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)CN2CCCCC2=O)cc1 ZINC000815953326 661032124 /nfs/dbraw/zinc/03/21/24/661032124.db2.gz OVEBHKTZKWZGHF-UHFFFAOYSA-N -1 0 374.440 -0.093 20 0 FBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000815953567 661032269 /nfs/dbraw/zinc/03/22/69/661032269.db2.gz YSWDIRYLVKEWIE-UHFFFAOYSA-N -1 0 358.401 -0.180 20 0 FBADRM O=C(CN1CCCCC1=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000815953593 661032226 /nfs/dbraw/zinc/03/22/26/661032226.db2.gz ACNDHVNOQKLHLB-UHFFFAOYSA-N -1 0 365.411 -0.210 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1I ZINC000815962778 661032264 /nfs/dbraw/zinc/03/22/64/661032264.db2.gz AXLFYDNTYCKRKW-UHFFFAOYSA-N -1 0 372.188 -0.049 20 0 FBADRM CC(C)C(=O)Nc1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)ccn1 ZINC000815963092 661032153 /nfs/dbraw/zinc/03/21/53/661032153.db2.gz NSQHITIOBYLUEA-UHFFFAOYSA-N -1 0 356.404 -0.017 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)N1CCOCC1)C(=O)OCc1ccccc1 ZINC000815963105 661032200 /nfs/dbraw/zinc/03/22/00/661032200.db2.gz OGFQZFUMBQAGKX-UHFFFAOYSA-N -1 0 371.415 -0.052 20 0 FBADRM Cn1cc(Br)c(C(=O)[N-]S(=O)(=O)N2CCOCC2)n1 ZINC000815963241 661032220 /nfs/dbraw/zinc/03/22/20/661032220.db2.gz UJRFPNGXTJEPKC-UHFFFAOYSA-N -1 0 353.198 -0.511 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000815963330 661032562 /nfs/dbraw/zinc/03/25/62/661032562.db2.gz XBXLOGSULXGEDT-MRVPVSSYSA-N -1 0 359.326 -0.767 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000815963331 661032493 /nfs/dbraw/zinc/03/24/93/661032493.db2.gz XBXLOGSULXGEDT-QMMMGPOBSA-N -1 0 359.326 -0.767 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000815963522 661032571 /nfs/dbraw/zinc/03/25/71/661032571.db2.gz CRAZGFJOOAUECC-OCAPTIKFSA-N -1 0 354.306 -0.054 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)CC(F)(F)F)nnn1-c1ccn(C)n1 ZINC000815963595 661032444 /nfs/dbraw/zinc/03/24/44/661032444.db2.gz GFRMEZOQZIKWRD-UHFFFAOYSA-N -1 0 352.298 -0.069 20 0 FBADRM O=C([N-]S(=O)(=O)CC(F)(F)F)c1ccc2c(c1)NC(=O)CNC2=O ZINC000815963732 661032545 /nfs/dbraw/zinc/03/25/45/661032545.db2.gz KXZLIXCFOOCCLX-UHFFFAOYSA-N -1 0 365.289 -0.010 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)CC(F)(F)F)n1cccn1 ZINC000815964169 661032439 /nfs/dbraw/zinc/03/24/39/661032439.db2.gz ZWWQTSUTIWGTNX-MRVPVSSYSA-N -1 0 356.326 -0.089 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)CC(F)(F)F)n1cccn1 ZINC000815964170 661032449 /nfs/dbraw/zinc/03/24/49/661032449.db2.gz ZWWQTSUTIWGTNX-QMMMGPOBSA-N -1 0 356.326 -0.089 20 0 FBADRM Cn1cnnc1COCC(=O)[N-]S(=O)(=O)CCOc1ccccc1 ZINC000815965224 661032502 /nfs/dbraw/zinc/03/25/02/661032502.db2.gz IBYLEWQUXGYVTH-UHFFFAOYSA-N -1 0 354.388 -0.143 20 0 FBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)CCOc2ccccc2)c1=O ZINC000815965423 661032460 /nfs/dbraw/zinc/03/24/60/661032460.db2.gz OSYZROZPHQZECX-UHFFFAOYSA-N -1 0 354.388 -0.503 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000815969610 661032487 /nfs/dbraw/zinc/03/24/87/661032487.db2.gz AQSWJLJQPAGVHG-PHIMTYICSA-N -1 0 353.356 -0.428 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1ccon1)n1cccn1 ZINC000815969776 661032540 /nfs/dbraw/zinc/03/25/40/661032540.db2.gz GUTVGRFOLHFKCK-JTQLQIEISA-N -1 0 355.376 -0.463 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1ccon1)n1cccn1 ZINC000815969777 661032413 /nfs/dbraw/zinc/03/24/13/661032413.db2.gz GUTVGRFOLHFKCK-SNVBAGLBSA-N -1 0 355.376 -0.463 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1ccon1)c1ccc2c(c1)NC(=O)CNC2=O ZINC000815969849 661032479 /nfs/dbraw/zinc/03/24/79/661032479.db2.gz ICLACAVKNNEPDP-UHFFFAOYSA-N -1 0 364.339 -0.384 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2nnn(-c3ccn(C)n3)c2C)cn1 ZINC000815973577 661032574 /nfs/dbraw/zinc/03/25/74/661032574.db2.gz KQLMOMIFALXROK-UHFFFAOYSA-N -1 0 364.391 -0.356 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cn1 ZINC000815973822 661032402 /nfs/dbraw/zinc/03/24/02/661032402.db2.gz QREOPNCRFHUMSP-TXEJJXNPSA-N -1 0 366.399 -0.341 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)[C@@H](C)n2cccn2)cn1 ZINC000815974081 661032542 /nfs/dbraw/zinc/03/25/42/661032542.db2.gz XGGTYUKRWLCSLX-LLVKDONJSA-N -1 0 368.419 -0.376 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)[C@H](C)n2cccn2)cn1 ZINC000815974082 661032509 /nfs/dbraw/zinc/03/25/09/661032509.db2.gz XGGTYUKRWLCSLX-NSHDSACASA-N -1 0 368.419 -0.376 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000815979169 661032580 /nfs/dbraw/zinc/03/25/80/661032580.db2.gz UNMRVWCJNNXACY-MRVPVSSYSA-N -1 0 361.342 -0.521 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000815979170 661032567 /nfs/dbraw/zinc/03/25/67/661032567.db2.gz UNMRVWCJNNXACY-QMMMGPOBSA-N -1 0 361.342 -0.521 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1nn(C)cc1Br ZINC000815979226 661032524 /nfs/dbraw/zinc/03/25/24/661032524.db2.gz WRZZBYOTVAPWFI-UHFFFAOYSA-N -1 0 355.214 -0.265 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC000815979866 661032482 /nfs/dbraw/zinc/03/24/82/661032482.db2.gz QAPPHNWMJHCXQU-UHFFFAOYSA-N -1 0 354.388 -0.315 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N-]S(=O)(=O)c1cnccn1 ZINC000815980161 661032512 /nfs/dbraw/zinc/03/25/12/661032512.db2.gz BAQKSKSCFLDGON-AOOOYVTPSA-N -1 0 350.356 -0.767 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnccn1)c1ccc2c(c1)NC(=O)CNC2=O ZINC000815980204 661032472 /nfs/dbraw/zinc/03/24/72/661032472.db2.gz DISDBTPUIVQLPS-UHFFFAOYSA-N -1 0 361.339 -0.723 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cnccn1)n1cccn1 ZINC000815980390 661032475 /nfs/dbraw/zinc/03/24/75/661032475.db2.gz KREXOKBEGROKTG-JTQLQIEISA-N -1 0 352.376 -0.802 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cnccn1)n1cccn1 ZINC000815980391 661032577 /nfs/dbraw/zinc/03/25/77/661032577.db2.gz KREXOKBEGROKTG-SNVBAGLBSA-N -1 0 352.376 -0.802 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCn2ncn(C)c2=O)cc1N(C)C ZINC000815983885 661032551 /nfs/dbraw/zinc/03/25/51/661032551.db2.gz WMTVMKQSUKACCP-UHFFFAOYSA-N -1 0 367.431 -0.149 20 0 FBADRM CCOC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCOCCOC)nc1 ZINC000815986825 661032388 /nfs/dbraw/zinc/03/23/88/661032388.db2.gz JHZLMSOHWHCCLM-UHFFFAOYSA-N -1 0 360.388 -0.019 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1nn(C)cc1Br ZINC000815987102 661032548 /nfs/dbraw/zinc/03/25/48/661032548.db2.gz TUJTXCDZHIQNRT-UHFFFAOYSA-N -1 0 370.225 -0.095 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000815987254 661032505 /nfs/dbraw/zinc/03/25/05/661032505.db2.gz YNWPCGJMDMZMGS-TXEJJXNPSA-N -1 0 374.415 -0.953 20 0 FBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)Cc2c(F)cccc2F)c1=O ZINC000815990459 661032466 /nfs/dbraw/zinc/03/24/66/661032466.db2.gz WYAOTFKFSXUFRH-UHFFFAOYSA-N -1 0 360.342 -0.104 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)CCn1ncn(C)c1=O ZINC000815994072 661032515 /nfs/dbraw/zinc/03/25/15/661032515.db2.gz NFEABLWQFLRICH-UHFFFAOYSA-N -1 0 370.435 -0.665 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)CN2CCCCC2=O)s1 ZINC000815995234 661032769 /nfs/dbraw/zinc/03/27/69/661032769.db2.gz ATRDPWRPMNLXSR-UHFFFAOYSA-N -1 0 361.405 -0.686 20 0 FBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)n1 ZINC000815995307 661032809 /nfs/dbraw/zinc/03/28/09/661032809.db2.gz CDVBCDJGNFEAFX-UHFFFAOYSA-N -1 0 359.393 -0.465 20 0 FBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)c[nH]1 ZINC000815995756 661032781 /nfs/dbraw/zinc/03/27/81/661032781.db2.gz MIZIZWZDZRZPFQ-UHFFFAOYSA-N -1 0 373.372 -0.270 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cnn(CC)n2)nc1 ZINC000815997156 661032815 /nfs/dbraw/zinc/03/28/15/661032815.db2.gz COIPLMAJPRABAP-UHFFFAOYSA-N -1 0 353.360 -0.012 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1)n1cccn1 ZINC000815997250 661032735 /nfs/dbraw/zinc/03/27/35/661032735.db2.gz GUBZHMSAQRKRJE-NEPJUHHUSA-N -1 0 358.420 -0.615 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1)n1cccn1 ZINC000815997251 661032800 /nfs/dbraw/zinc/03/28/00/661032800.db2.gz GUBZHMSAQRKRJE-NWDGAFQWSA-N -1 0 358.420 -0.615 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1)n1cccn1 ZINC000815997252 661032822 /nfs/dbraw/zinc/03/28/22/661032822.db2.gz GUBZHMSAQRKRJE-RYUDHWBXSA-N -1 0 358.420 -0.615 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1)n1cccn1 ZINC000815997253 661032777 /nfs/dbraw/zinc/03/27/77/661032777.db2.gz GUBZHMSAQRKRJE-VXGBXAGGSA-N -1 0 358.420 -0.615 20 0 FBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)c2cn(C)c3ccccc23)c1=O ZINC000815997304 661032813 /nfs/dbraw/zinc/03/28/13/661032813.db2.gz ILOSRIAMWCFDIQ-UHFFFAOYSA-N -1 0 363.399 -0.031 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000815997625 661032741 /nfs/dbraw/zinc/03/27/41/661032741.db2.gz RLNNNYJUSSMXQI-SDDRHHMPSA-N -1 0 356.400 -0.580 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000815997626 661032780 /nfs/dbraw/zinc/03/27/80/661032780.db2.gz RLNNNYJUSSMXQI-UTUOFQBUSA-N -1 0 356.400 -0.580 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1ccc2c(c1)NC(=O)CNC2=O ZINC000815997695 661032823 /nfs/dbraw/zinc/03/28/23/661032823.db2.gz UMBDQMSZCMQRFN-SECBINFHSA-N -1 0 367.383 -0.535 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1ccc2c(c1)NC(=O)CNC2=O ZINC000815997696 661032804 /nfs/dbraw/zinc/03/28/04/661032804.db2.gz UMBDQMSZCMQRFN-VIFPVBQESA-N -1 0 367.383 -0.535 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cnnn2CC)nc1 ZINC000815997886 661032726 /nfs/dbraw/zinc/03/27/26/661032726.db2.gz ZTDSPAPZAFSTOW-UHFFFAOYSA-N -1 0 353.360 -0.012 20 0 FBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1=O ZINC000816004381 661032745 /nfs/dbraw/zinc/03/27/45/661032745.db2.gz YFOOXMCQFGFRAR-UHFFFAOYSA-N -1 0 366.399 -0.198 20 0 FBADRM CCOc1ccccc1S(=O)(=O)[N-]C(=O)CCn1ncn(C)c1=O ZINC000816004450 661032791 /nfs/dbraw/zinc/03/27/91/661032791.db2.gz AJYJWHJUVGEQHL-UHFFFAOYSA-N -1 0 354.388 -0.124 20 0 FBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1=O ZINC000816004517 661032776 /nfs/dbraw/zinc/03/27/76/661032776.db2.gz DDKMANVZUMYNEB-UHFFFAOYSA-N -1 0 354.344 -0.794 20 0 FBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)c2ccc3c(c2)COC3)c1=O ZINC000816005121 661032811 /nfs/dbraw/zinc/03/28/11/661032811.db2.gz AEIMMZQWUBUVOJ-UHFFFAOYSA-N -1 0 352.372 -0.493 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CN2CCCCC2=O)cc1 ZINC000816006068 661032779 /nfs/dbraw/zinc/03/27/79/661032779.db2.gz KSKZQIGKWATKCI-UHFFFAOYSA-N -1 0 353.400 -0.136 20 0 FBADRM COCc1ccccc1S(=O)(=O)[N-]C(=O)CCn1ncn(C)c1=O ZINC000816008979 661032772 /nfs/dbraw/zinc/03/27/72/661032772.db2.gz KQBKWODNAXHJCD-UHFFFAOYSA-N -1 0 354.388 -0.377 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1)n1cccn1 ZINC000816010028 661032789 /nfs/dbraw/zinc/03/27/89/661032789.db2.gz UIPIAZVMZPKWFL-NEPJUHHUSA-N -1 0 358.420 -0.473 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1)n1cccn1 ZINC000816010029 661032771 /nfs/dbraw/zinc/03/27/71/661032771.db2.gz UIPIAZVMZPKWFL-NWDGAFQWSA-N -1 0 358.420 -0.473 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1)n1cccn1 ZINC000816010030 661032762 /nfs/dbraw/zinc/03/27/62/661032762.db2.gz UIPIAZVMZPKWFL-RYUDHWBXSA-N -1 0 358.420 -0.473 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1)n1cccn1 ZINC000816010031 661032798 /nfs/dbraw/zinc/03/27/98/661032798.db2.gz UIPIAZVMZPKWFL-VXGBXAGGSA-N -1 0 358.420 -0.473 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000816010062 661032774 /nfs/dbraw/zinc/03/27/74/661032774.db2.gz UVPZOEISXRWQAS-SDDRHHMPSA-N -1 0 356.400 -0.437 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000816010063 661032826 /nfs/dbraw/zinc/03/28/26/661032826.db2.gz UVPZOEISXRWQAS-UTUOFQBUSA-N -1 0 356.400 -0.437 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)nnn1-c1ccn(C)n1 ZINC000816010992 661033054 /nfs/dbraw/zinc/03/30/54/661033054.db2.gz CGIGGOLTHVSJQQ-JTQLQIEISA-N -1 0 354.392 -0.452 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)nnn1-c1ccn(C)n1 ZINC000816010993 661032914 /nfs/dbraw/zinc/03/29/14/661032914.db2.gz CGIGGOLTHVSJQQ-SNVBAGLBSA-N -1 0 354.392 -0.452 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1)n1cccn1 ZINC000816011436 661033103 /nfs/dbraw/zinc/03/31/03/661033103.db2.gz PAVUDGIMIWCKJY-NEPJUHHUSA-N -1 0 358.420 -0.473 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1)n1cccn1 ZINC000816011437 661033036 /nfs/dbraw/zinc/03/30/36/661033036.db2.gz PAVUDGIMIWCKJY-NWDGAFQWSA-N -1 0 358.420 -0.473 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1)n1cccn1 ZINC000816011438 661033056 /nfs/dbraw/zinc/03/30/56/661033056.db2.gz PAVUDGIMIWCKJY-RYUDHWBXSA-N -1 0 358.420 -0.473 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1)n1cccn1 ZINC000816011439 661032940 /nfs/dbraw/zinc/03/29/40/661032940.db2.gz PAVUDGIMIWCKJY-VXGBXAGGSA-N -1 0 358.420 -0.473 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1ccc2c(c1)NC(=O)CNC2=O ZINC000816011527 661032955 /nfs/dbraw/zinc/03/29/55/661032955.db2.gz RIDIBYVCOPQNFN-JTQLQIEISA-N -1 0 367.383 -0.393 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1ccc2c(c1)NC(=O)CNC2=O ZINC000816011528 661033115 /nfs/dbraw/zinc/03/31/15/661033115.db2.gz RIDIBYVCOPQNFN-SNVBAGLBSA-N -1 0 367.383 -0.393 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000816011611 661032965 /nfs/dbraw/zinc/03/29/65/661032965.db2.gz UNVLGLNAZFYFDK-SDDRHHMPSA-N -1 0 356.400 -0.437 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000816011612 661033019 /nfs/dbraw/zinc/03/30/19/661033019.db2.gz UNVLGLNAZFYFDK-UTUOFQBUSA-N -1 0 356.400 -0.437 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CCn2ncn(C)c2=O)cn1 ZINC000816011619 661033117 /nfs/dbraw/zinc/03/31/17/661033117.db2.gz UWLHLKSEGHMUMU-UHFFFAOYSA-N -1 0 355.376 -0.729 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)COCc2nncn2C)cn1 ZINC000816011632 661033099 /nfs/dbraw/zinc/03/30/99/661033099.db2.gz VELZTRLPDVMGQQ-UHFFFAOYSA-N -1 0 355.376 -0.370 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)CCn2ncn(C)c2=O)c1 ZINC000816011922 661032976 /nfs/dbraw/zinc/03/29/76/661032976.db2.gz CRVDRUVNWYTCJP-UHFFFAOYSA-N -1 0 356.408 -0.671 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)Cc2cccnc2)nnn1-c1ccn(C)n1 ZINC000816013373 661032993 /nfs/dbraw/zinc/03/29/93/661032993.db2.gz MQWFWRRBBGFFHA-UHFFFAOYSA-N -1 0 361.387 -0.036 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1cccnc1)n1cccn1 ZINC000816013390 661033030 /nfs/dbraw/zinc/03/30/30/661033030.db2.gz NKKUMIZSZWPYNP-GFCCVEGCSA-N -1 0 365.415 -0.056 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1cccnc1)n1cccn1 ZINC000816013391 661033105 /nfs/dbraw/zinc/03/31/05/661033105.db2.gz NKKUMIZSZWPYNP-LBPRGKRZSA-N -1 0 365.415 -0.056 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC000816013405 661032981 /nfs/dbraw/zinc/03/29/81/661032981.db2.gz OADQLBOUAWTJLW-BETUJISGSA-N -1 0 363.395 -0.021 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cn2c(Br)cnc2s1 ZINC000816013948 661032948 /nfs/dbraw/zinc/03/29/48/661032948.db2.gz IHABSCDCQBGFJD-UHFFFAOYSA-N -1 0 367.206 -0.297 20 0 FBADRM CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000816014097 661033011 /nfs/dbraw/zinc/03/30/11/661033011.db2.gz NBRJTEUZRHLMMO-AWEZNQCLSA-N -1 0 371.415 -0.863 20 0 FBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)OC)n1 ZINC000816014536 661033039 /nfs/dbraw/zinc/03/30/39/661033039.db2.gz DEOSCOXFUMUGSL-UHFFFAOYSA-N -1 0 359.389 -0.032 20 0 FBADRM COc1cccc(CS(=O)(=O)[N-]C(=O)CCn2ncn(C)c2=O)c1 ZINC000816014909 661032972 /nfs/dbraw/zinc/03/29/72/661032972.db2.gz RDZBMBKEKAYIRL-UHFFFAOYSA-N -1 0 354.388 -0.373 20 0 FBADRM COc1cccc(CS(=O)(=O)[N-]C(=O)COCc2nncn2C)c1 ZINC000816014958 661032951 /nfs/dbraw/zinc/03/29/51/661032951.db2.gz SZKRAYUGJVXMHM-UHFFFAOYSA-N -1 0 354.388 -0.014 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1nn(C)cc1Br ZINC000816015313 661033022 /nfs/dbraw/zinc/03/30/22/661033022.db2.gz GFIYLEKKLYZMDN-RXMQYKEDSA-N -1 0 354.182 -0.196 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1nn(C)cc1Br ZINC000816015314 661033000 /nfs/dbraw/zinc/03/30/00/661033000.db2.gz GFIYLEKKLYZMDN-YFKPBYRVSA-N -1 0 354.182 -0.196 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000816015342 661032988 /nfs/dbraw/zinc/03/29/88/661032988.db2.gz HCZDMEIMPXIGBR-BQBZGAKWSA-N -1 0 360.310 -0.453 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000816015343 661033125 /nfs/dbraw/zinc/03/31/25/661033125.db2.gz HCZDMEIMPXIGBR-NKWVEPMBSA-N -1 0 360.310 -0.453 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000816015344 661033108 /nfs/dbraw/zinc/03/31/08/661033108.db2.gz HCZDMEIMPXIGBR-RNFRBKRXSA-N -1 0 360.310 -0.453 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000816015345 661033027 /nfs/dbraw/zinc/03/30/27/661033027.db2.gz HCZDMEIMPXIGBR-RQJHMYQMSA-N -1 0 360.310 -0.453 20 0 FBADRM COc1ccccc1CS(=O)(=O)[N-]C(=O)COCc1nncn1C ZINC000816019249 661033253 /nfs/dbraw/zinc/03/32/53/661033253.db2.gz DPWUFRPBMASQIC-UHFFFAOYSA-N -1 0 354.388 -0.014 20 0 FBADRM COc1ccccc1CS(=O)(=O)[N-]C(=O)CCn1ncn(C)c1=O ZINC000816019251 661033342 /nfs/dbraw/zinc/03/33/42/661033342.db2.gz DUQLFOZCTBKZFV-UHFFFAOYSA-N -1 0 354.388 -0.373 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000816021423 661033306 /nfs/dbraw/zinc/03/33/06/661033306.db2.gz NXNSIOPIMZFTLZ-AOOOYVTPSA-N -1 0 352.372 -0.824 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccnn1C)n1cccn1 ZINC000816021472 661033289 /nfs/dbraw/zinc/03/32/89/661033289.db2.gz PXFFPHKZLGXCQS-JTQLQIEISA-N -1 0 354.392 -0.859 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccnn1C)n1cccn1 ZINC000816021473 661033236 /nfs/dbraw/zinc/03/32/36/661033236.db2.gz PXFFPHKZLGXCQS-SNVBAGLBSA-N -1 0 354.392 -0.859 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccnn2C)nnn1-c1ccn(C)n1 ZINC000816021478 661033286 /nfs/dbraw/zinc/03/32/86/661033286.db2.gz QCRPFKKEZIXCRY-UHFFFAOYSA-N -1 0 350.364 -0.839 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC000816021670 661033232 /nfs/dbraw/zinc/03/32/32/661033232.db2.gz WDEUFQDRINEPHW-UHFFFAOYSA-N -1 0 363.355 -0.779 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000816021697 661033259 /nfs/dbraw/zinc/03/32/59/661033259.db2.gz XIWRSHMUWNEYEO-SSDOTTSWSA-N -1 0 354.310 -0.222 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000816021698 661033283 /nfs/dbraw/zinc/03/32/83/661033283.db2.gz XIWRSHMUWNEYEO-ZETCQYMHSA-N -1 0 354.310 -0.222 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)c1nnn(-c2ccn(C)n2)c1C ZINC000816022361 661033234 /nfs/dbraw/zinc/03/32/34/661033234.db2.gz SLRDPFGTVBQNRR-UHFFFAOYSA-N -1 0 356.408 -0.205 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000816022445 661033263 /nfs/dbraw/zinc/03/32/63/661033263.db2.gz WADLRMQTKMCKHJ-GFCCVEGCSA-N -1 0 360.436 -0.225 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000816022446 661033245 /nfs/dbraw/zinc/03/32/45/661033245.db2.gz WADLRMQTKMCKHJ-LBPRGKRZSA-N -1 0 360.436 -0.225 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000816022447 661033275 /nfs/dbraw/zinc/03/32/75/661033275.db2.gz WAGILZDZQYEROK-TXEJJXNPSA-N -1 0 358.416 -0.190 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC000816023436 661033224 /nfs/dbraw/zinc/03/32/24/661033224.db2.gz ZXFRNYIGKDNADS-UHFFFAOYSA-N -1 0 369.399 -0.145 20 0 FBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000816028256 661033242 /nfs/dbraw/zinc/03/32/42/661033242.db2.gz BCMWUSPWUASYCG-UHFFFAOYSA-N -1 0 364.387 -0.393 20 0 FBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)n1 ZINC000816028646 661033292 /nfs/dbraw/zinc/03/32/92/661033292.db2.gz KSRJKPGKTJIEPA-UHFFFAOYSA-N -1 0 364.387 -0.393 20 0 FBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2OC)n1C ZINC000816031546 661033264 /nfs/dbraw/zinc/03/32/64/661033264.db2.gz ANXYZQGULFVJJK-UHFFFAOYSA-N -1 0 370.387 -0.019 20 0 FBADRM COc1ccc(CCS(=O)(=O)[N-]C(=O)CCn2ncn(C)c2=O)cc1 ZINC000816031644 661033323 /nfs/dbraw/zinc/03/33/23/661033323.db2.gz FGFBHOIRBNNPPE-UHFFFAOYSA-N -1 0 368.415 -0.331 20 0 FBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2OC)c[nH]1 ZINC000816031831 661033331 /nfs/dbraw/zinc/03/33/31/661033331.db2.gz LJLPHVOFVLMDLG-UHFFFAOYSA-N -1 0 356.360 -0.029 20 0 FBADRM O=C(CN1CCCCC1=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000816032359 661033250 /nfs/dbraw/zinc/03/32/50/661033250.db2.gz BBNKPBRYICWSLQ-UHFFFAOYSA-N -1 0 350.347 -0.034 20 0 FBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)c2cnn(CC3CC3)c2)c1=O ZINC000816034841 661033278 /nfs/dbraw/zinc/03/32/78/661033278.db2.gz RUBNAPGZYPULHU-UHFFFAOYSA-N -1 0 354.392 -0.917 20 0 FBADRM CC(C)C(=O)Nc1cc(C(=O)[N-]S(=O)(=O)c2cnnn2C)ccn1 ZINC000816034942 661033350 /nfs/dbraw/zinc/03/33/50/661033350.db2.gz WVQGZDNWEQSCET-UHFFFAOYSA-N -1 0 352.376 -0.077 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1cnnn1C)C(=O)OCc1ccccc1 ZINC000816034987 661033338 /nfs/dbraw/zinc/03/33/38/661033338.db2.gz YGOCQOVUVUQYRP-UHFFFAOYSA-N -1 0 367.387 -0.111 20 0 FBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000816036240 661033217 /nfs/dbraw/zinc/03/32/17/661033217.db2.gz HTWNKNUDNXNMEG-UHFFFAOYSA-N -1 0 363.355 -0.358 20 0 FBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)n1 ZINC000816036767 661033248 /nfs/dbraw/zinc/03/32/48/661033248.db2.gz VBBSSYPWMPJTSW-UHFFFAOYSA-N -1 0 363.355 -0.358 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N-]S(=O)(=O)c1ncccc1F ZINC000816043055 661033298 /nfs/dbraw/zinc/03/32/98/661033298.db2.gz FWJMFZMYFUAOIW-AOOOYVTPSA-N -1 0 367.358 -0.023 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2ncccc2F)nnn1-c1ccn(C)n1 ZINC000816043211 661033261 /nfs/dbraw/zinc/03/32/61/661033261.db2.gz LLZUAXZQZMMEPV-UHFFFAOYSA-N -1 0 365.350 -0.038 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ncccc1F)n1cccn1 ZINC000816043316 661033256 /nfs/dbraw/zinc/03/32/56/661033256.db2.gz OXTLEPRZAZAISX-JTQLQIEISA-N -1 0 369.378 -0.058 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ncccc1F)n1cccn1 ZINC000816043317 661033334 /nfs/dbraw/zinc/03/33/34/661033334.db2.gz OXTLEPRZAZAISX-SNVBAGLBSA-N -1 0 369.378 -0.058 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC000816049780 661033308 /nfs/dbraw/zinc/03/33/08/661033308.db2.gz VCVBNVDASVQGTR-MRVPVSSYSA-N -1 0 355.372 -0.537 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC000816049781 661033462 /nfs/dbraw/zinc/03/34/62/661033462.db2.gz VCVBNVDASVQGTR-QMMMGPOBSA-N -1 0 355.372 -0.537 20 0 FBADRM COc1cc(OC)cc(S(=O)(=O)[N-]C(=O)CCn2ncn(C)c2=O)c1 ZINC000816051095 661033475 /nfs/dbraw/zinc/03/34/75/661033475.db2.gz KPBPRMLUHBFYNH-UHFFFAOYSA-N -1 0 370.387 -0.506 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1ccccn1)n1cccn1 ZINC000816059360 661033534 /nfs/dbraw/zinc/03/35/34/661033534.db2.gz BJOMEIYNZIOLIN-GFCCVEGCSA-N -1 0 365.415 -0.056 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1ccccn1)n1cccn1 ZINC000816059361 661033600 /nfs/dbraw/zinc/03/36/00/661033600.db2.gz BJOMEIYNZIOLIN-LBPRGKRZSA-N -1 0 365.415 -0.056 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC000816059944 661033570 /nfs/dbraw/zinc/03/35/70/661033570.db2.gz WWNPSCRMBGTFQM-BETUJISGSA-N -1 0 363.395 -0.021 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)Cc2ccccn2)nnn1-c1ccn(C)n1 ZINC000816059980 661033459 /nfs/dbraw/zinc/03/34/59/661033459.db2.gz YKSUXMHRSYLPBF-UHFFFAOYSA-N -1 0 361.387 -0.036 20 0 FBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1=O ZINC000816066871 661033612 /nfs/dbraw/zinc/03/36/12/661033612.db2.gz QXEYHOXBHQHNSM-UHFFFAOYSA-N -1 0 352.372 -0.588 20 0 FBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)NC)cc1 ZINC000816067210 661033470 /nfs/dbraw/zinc/03/34/70/661033470.db2.gz BSFFZZCHQYFZKZ-UHFFFAOYSA-N -1 0 351.388 -0.083 20 0 FBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)NC)cc2)n1 ZINC000816067594 661033621 /nfs/dbraw/zinc/03/36/21/661033621.db2.gz RVSUYCRZFZHRCH-UHFFFAOYSA-N -1 0 351.388 -0.083 20 0 FBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)c2cccc3nsnc32)c1=O ZINC000816068674 661033553 /nfs/dbraw/zinc/03/35/53/661033553.db2.gz BYMFJVASZAHGJO-UHFFFAOYSA-N -1 0 368.400 -0.518 20 0 FBADRM Cn1cnnc1COCC(=O)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000816068704 661033559 /nfs/dbraw/zinc/03/35/59/661033559.db2.gz DHYRFGRJEIGWGC-UHFFFAOYSA-N -1 0 368.400 -0.159 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000816069333 661033500 /nfs/dbraw/zinc/03/35/00/661033500.db2.gz HBHKGMBLYURNND-DTORHVGOSA-N -1 0 368.371 -0.679 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000816069411 661033584 /nfs/dbraw/zinc/03/35/84/661033584.db2.gz JIBKWAORMKXMAK-MRVPVSSYSA-N -1 0 370.391 -0.714 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000816069412 661033618 /nfs/dbraw/zinc/03/36/18/661033618.db2.gz JIBKWAORMKXMAK-QMMMGPOBSA-N -1 0 370.391 -0.714 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1nnn(-c2ccn(C)n2)c1C ZINC000816069585 661033589 /nfs/dbraw/zinc/03/35/89/661033589.db2.gz OQDFMYLRDIYNRM-UHFFFAOYSA-N -1 0 366.363 -0.693 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)CN2CCCCC2=O)s1 ZINC000816069628 661033562 /nfs/dbraw/zinc/03/35/62/661033562.db2.gz QIEWKQNZUSYIAG-UHFFFAOYSA-N -1 0 360.417 -0.081 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000816069789 661033477 /nfs/dbraw/zinc/03/34/77/661033477.db2.gz WSNVOTUFNRURCX-LURJTMIESA-N -1 0 370.309 -0.077 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000816069790 661033492 /nfs/dbraw/zinc/03/34/92/661033492.db2.gz WSNVOTUFNRURCX-ZCFIWIBFSA-N -1 0 370.309 -0.077 20 0 FBADRM COCc1cccc(CS(=O)(=O)[N-]C(=O)CCn2ncn(C)c2=O)c1 ZINC000816074316 661033607 /nfs/dbraw/zinc/03/36/07/661033607.db2.gz VEWXGTHPFXAZND-UHFFFAOYSA-N -1 0 368.415 -0.236 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CCn2ncn(C)c2=O)c(C)c1 ZINC000816078686 661033616 /nfs/dbraw/zinc/03/36/16/661033616.db2.gz PCISPJKAUGMSHB-UHFFFAOYSA-N -1 0 354.388 -0.206 20 0 FBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)ccc2OC)n1 ZINC000816080888 661033602 /nfs/dbraw/zinc/03/36/02/661033602.db2.gz CNSMVJVOHBAYJH-UHFFFAOYSA-N -1 0 353.360 -0.476 20 0 FBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)ccc2OC)n1 ZINC000816080960 661033543 /nfs/dbraw/zinc/03/35/43/661033543.db2.gz FFBQKARIYKTDAI-UHFFFAOYSA-N -1 0 367.387 -0.167 20 0 FBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)ccc1OC ZINC000816081075 661033785 /nfs/dbraw/zinc/03/37/85/661033785.db2.gz ITCYNOPRSIVGFD-UHFFFAOYSA-N -1 0 353.360 -0.476 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)CN1CCCCC1=O ZINC000816081413 661033803 /nfs/dbraw/zinc/03/38/03/661033803.db2.gz TXKTVDKFTRSQIJ-UHFFFAOYSA-N -1 0 369.399 -0.389 20 0 FBADRM CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)[C@@H]1CCNC(=O)CC1 ZINC000816082398 661033814 /nfs/dbraw/zinc/03/38/14/661033814.db2.gz BTRJOJYHYXWZCD-JTQLQIEISA-N -1 0 363.436 -0.127 20 0 FBADRM CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)[C@H]1CCNC(=O)CC1 ZINC000816082399 661033763 /nfs/dbraw/zinc/03/37/63/661033763.db2.gz BTRJOJYHYXWZCD-SNVBAGLBSA-N -1 0 363.436 -0.127 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2cnn(CC)n2)CC1 ZINC000816082420 661033760 /nfs/dbraw/zinc/03/37/60/661033760.db2.gz CNKWXUNPASUMPH-UHFFFAOYSA-N -1 0 359.408 -0.022 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)[N-]C(=O)CCn1ncn(C)c1=O ZINC000816082453 661033751 /nfs/dbraw/zinc/03/37/51/661033751.db2.gz DXHQKSHVQMEWGQ-UHFFFAOYSA-N -1 0 359.433 -0.574 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000816082549 661033765 /nfs/dbraw/zinc/03/37/65/661033765.db2.gz HWTZJPXALQIFJE-RWMBFGLXSA-N -1 0 370.427 -0.190 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000816082550 661033758 /nfs/dbraw/zinc/03/37/58/661033758.db2.gz HWTZJPXALQIFJE-UPJWGTAASA-N -1 0 370.427 -0.190 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)nnn1-c1ccn(C)n1 ZINC000816082717 661033793 /nfs/dbraw/zinc/03/37/93/661033793.db2.gz NKBWPGKCBAWZQK-LLVKDONJSA-N -1 0 368.419 -0.205 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)nnn1-c1ccn(C)n1 ZINC000816082718 661033699 /nfs/dbraw/zinc/03/36/99/661033699.db2.gz NKBWPGKCBAWZQK-NSHDSACASA-N -1 0 368.419 -0.205 20 0 FBADRM CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)CN1CCCCC1=O ZINC000816082788 661033757 /nfs/dbraw/zinc/03/37/57/661033757.db2.gz PUKUXOJFJSCPQO-UHFFFAOYSA-N -1 0 363.436 -0.030 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2cnnn2CC)CC1 ZINC000816082865 661033796 /nfs/dbraw/zinc/03/37/96/661033796.db2.gz RYWPMVOGRAVXBB-UHFFFAOYSA-N -1 0 359.408 -0.022 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1)n1cccn1 ZINC000816083095 661033770 /nfs/dbraw/zinc/03/37/70/661033770.db2.gz ZZRKUFVZHXODSP-CHWSQXEVSA-N -1 0 372.447 -0.225 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1)n1cccn1 ZINC000816083096 661033792 /nfs/dbraw/zinc/03/37/92/661033792.db2.gz ZZRKUFVZHXODSP-OLZOCXBDSA-N -1 0 372.447 -0.225 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1)n1cccn1 ZINC000816083097 661033768 /nfs/dbraw/zinc/03/37/68/661033768.db2.gz ZZRKUFVZHXODSP-QWHCGFSZSA-N -1 0 372.447 -0.225 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1)n1cccn1 ZINC000816083098 661033778 /nfs/dbraw/zinc/03/37/78/661033778.db2.gz ZZRKUFVZHXODSP-STQMWFEESA-N -1 0 372.447 -0.225 20 0 FBADRM COCc1ccccc1CS(=O)(=O)[N-]C(=O)CCn1ncn(C)c1=O ZINC000816084834 661033779 /nfs/dbraw/zinc/03/37/79/661033779.db2.gz NAWNLXVUNOKKFB-UHFFFAOYSA-N -1 0 368.415 -0.236 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1nnn(-c2ccn(C)n2)c1C ZINC000816085779 661033773 /nfs/dbraw/zinc/03/37/73/661033773.db2.gz NZKVJLSYENGLSP-UHFFFAOYSA-N -1 0 364.391 -0.530 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000816086045 661033766 /nfs/dbraw/zinc/03/37/66/661033766.db2.gz YIBKISPZEBVSQC-LLVKDONJSA-N -1 0 368.419 -0.550 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000816086046 661033733 /nfs/dbraw/zinc/03/37/33/661033733.db2.gz YIBKISPZEBVSQC-NSHDSACASA-N -1 0 368.419 -0.550 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000816086549 661033747 /nfs/dbraw/zinc/03/37/47/661033747.db2.gz OPZYRJRMBBDCES-PHIMTYICSA-N -1 0 366.399 -0.515 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000816090282 661033809 /nfs/dbraw/zinc/03/38/09/661033809.db2.gz DTVJMSTZVTUKNG-PHIMTYICSA-N -1 0 356.400 -0.437 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)c2nnn(-c3ccn(C)n3)c2C)CC1 ZINC000816090417 661033817 /nfs/dbraw/zinc/03/38/17/661033817.db2.gz IYBPZFGUCUFNGM-UHFFFAOYSA-N -1 0 354.392 -0.452 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)CN(C)C(=O)[C@@H](C)n2cccn2)CC1 ZINC000816090588 661033762 /nfs/dbraw/zinc/03/37/62/661033762.db2.gz PWKLMODMBRONMA-LLVKDONJSA-N -1 0 358.420 -0.473 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)CN(C)C(=O)[C@H](C)n2cccn2)CC1 ZINC000816090589 661033823 /nfs/dbraw/zinc/03/38/23/661033823.db2.gz PWKLMODMBRONMA-NSHDSACASA-N -1 0 358.420 -0.473 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)NC(=O)CNC3=O)CC1 ZINC000816090694 661033782 /nfs/dbraw/zinc/03/37/82/661033782.db2.gz SYDYTDGAOJUIIS-UHFFFAOYSA-N -1 0 367.383 -0.393 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)CN(C)C(=O)[C@@H](C)n2cccn2)cnn1C ZINC000816093810 661033767 /nfs/dbraw/zinc/03/37/67/661033767.db2.gz AHRWFCUPUDYCSX-LLVKDONJSA-N -1 0 368.419 -0.550 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)CN(C)C(=O)[C@H](C)n2cccn2)cnn1C ZINC000816093811 661033807 /nfs/dbraw/zinc/03/38/07/661033807.db2.gz AHRWFCUPUDYCSX-NSHDSACASA-N -1 0 368.419 -0.550 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2nnn(-c3ccn(C)n3)c2C)cnn1C ZINC000816093826 661033718 /nfs/dbraw/zinc/03/37/18/661033718.db2.gz ATYWFGJBNYUXPI-UHFFFAOYSA-N -1 0 364.391 -0.530 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)Cc2cn(C)nc2Cl)CC1 ZINC000816094026 661033750 /nfs/dbraw/zinc/03/37/50/661033750.db2.gz HSDXPDXXDPENDD-UHFFFAOYSA-N -1 0 363.827 -0.859 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cnn1C ZINC000816094355 661033709 /nfs/dbraw/zinc/03/37/09/661033709.db2.gz QTGGPNNQXZHDRY-PHIMTYICSA-N -1 0 366.399 -0.515 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000816094829 661033771 /nfs/dbraw/zinc/03/37/71/661033771.db2.gz GMTYMKDDHMMRKM-LLVKDONJSA-N -1 0 368.419 -0.550 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000816094830 661034020 /nfs/dbraw/zinc/03/40/20/661034020.db2.gz GMTYMKDDHMMRKM-NSHDSACASA-N -1 0 368.419 -0.550 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000816095054 661033934 /nfs/dbraw/zinc/03/39/34/661033934.db2.gz OBAXFZQRZIZATQ-PHIMTYICSA-N -1 0 366.399 -0.515 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1nnn(-c2ccn(C)n2)c1C ZINC000816095173 661034087 /nfs/dbraw/zinc/03/40/87/661034087.db2.gz TTZFFSMBYJQIFO-UHFFFAOYSA-N -1 0 364.391 -0.530 20 0 FBADRM Cn1nnc(Br)c1COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000816147890 661034031 /nfs/dbraw/zinc/03/40/31/661034031.db2.gz ICZVUFYAVKGZJM-UHFFFAOYSA-N -1 0 368.151 -0.294 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000816196435 661034279 /nfs/dbraw/zinc/03/42/79/661034279.db2.gz DHOFTTODHZYJFJ-UHFFFAOYSA-N -1 0 354.392 -0.599 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)c3c[nH]c(C(N)=O)c3)cc12 ZINC000816197383 661034255 /nfs/dbraw/zinc/03/42/55/661034255.db2.gz QEHLNHTZHOLJKB-UHFFFAOYSA-N -1 0 362.371 -0.178 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)[C@@H]3CCN(C)C3=O)cc12 ZINC000816197387 661034232 /nfs/dbraw/zinc/03/42/32/661034232.db2.gz QKXYBJCDZBTQPJ-JTQLQIEISA-N -1 0 351.388 -0.440 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)[C@H]3CCN(C)C3=O)cc12 ZINC000816197388 661034353 /nfs/dbraw/zinc/03/43/53/661034353.db2.gz QKXYBJCDZBTQPJ-SNVBAGLBSA-N -1 0 351.388 -0.440 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)c3cc4n(n3)CCO4)cc12 ZINC000816197596 661034262 /nfs/dbraw/zinc/03/42/62/661034262.db2.gz ZEGVGIFLKMMDIG-UHFFFAOYSA-N -1 0 362.371 -0.016 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000816197949 661034288 /nfs/dbraw/zinc/03/42/88/661034288.db2.gz NIDLDBFGVOZUIN-UHFFFAOYSA-N -1 0 369.403 -0.814 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)Cn3ccccc3=O)cc12 ZINC000816198071 661034272 /nfs/dbraw/zinc/03/42/72/661034272.db2.gz SKIZTAMHBZUQFG-UHFFFAOYSA-N -1 0 361.383 -0.056 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)CN3CCOCC3)cc12 ZINC000816198525 661034249 /nfs/dbraw/zinc/03/42/49/661034249.db2.gz NEDOOGFOLDACJT-UHFFFAOYSA-N -1 0 353.404 -0.586 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)C3CC3)cc12 ZINC000816198612 661034326 /nfs/dbraw/zinc/03/43/26/661034326.db2.gz PXZHXXKPUPEEJK-UHFFFAOYSA-N -1 0 365.415 -0.050 20 0 FBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000816198661 661034305 /nfs/dbraw/zinc/03/43/05/661034305.db2.gz ROLMVUOAXWVRBB-SECBINFHSA-N -1 0 353.404 -0.004 20 0 FBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000816198662 661034363 /nfs/dbraw/zinc/03/43/63/661034363.db2.gz ROLMVUOAXWVRBB-VIFPVBQESA-N -1 0 353.404 -0.004 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)[C@H]3CCN(C)C(=O)C3)cc12 ZINC000816199695 661034338 /nfs/dbraw/zinc/03/43/38/661034338.db2.gz IJUTZUHGDANYHA-JTQLQIEISA-N -1 0 365.415 -0.050 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)[C@@H]3CCN(C)C(=O)C3)cc12 ZINC000816199696 661034302 /nfs/dbraw/zinc/03/43/02/661034302.db2.gz IJUTZUHGDANYHA-SNVBAGLBSA-N -1 0 365.415 -0.050 20 0 FBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000816199706 661034333 /nfs/dbraw/zinc/03/43/33/661034333.db2.gz ITADNSPZDWIRRP-UHFFFAOYSA-N -1 0 355.376 -0.220 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000816199966 661034258 /nfs/dbraw/zinc/03/42/58/661034258.db2.gz SDCZARBELQGICI-CYBMUJFWSA-N -1 0 367.431 -0.198 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000816199967 661034359 /nfs/dbraw/zinc/03/43/59/661034359.db2.gz SDCZARBELQGICI-ZDUSSCGKSA-N -1 0 367.431 -0.198 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)[C@@]3(C)CCC(=O)NC3)cc12 ZINC000816200218 661034276 /nfs/dbraw/zinc/03/42/76/661034276.db2.gz DSXZDVWUPNFNFG-HNNXBMFYSA-N -1 0 365.415 -0.002 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)[C@]3(C)CCC(=O)NC3)cc12 ZINC000816200219 661034330 /nfs/dbraw/zinc/03/43/30/661034330.db2.gz DSXZDVWUPNFNFG-OAHLLOKOSA-N -1 0 365.415 -0.002 20 0 FBADRM CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000816200341 661034292 /nfs/dbraw/zinc/03/42/92/661034292.db2.gz IOTOEFKZWLQDNJ-UHFFFAOYSA-N -1 0 353.404 -0.002 20 0 FBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000816200428 661034218 /nfs/dbraw/zinc/03/42/18/661034218.db2.gz LQAZHANXXUVGIZ-QMMMGPOBSA-N -1 0 355.376 -0.174 20 0 FBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000816200465 661034356 /nfs/dbraw/zinc/03/43/56/661034356.db2.gz MWCIPTXXMFNGDZ-UHFFFAOYSA-N -1 0 355.376 -0.172 20 0 FBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)CCC1 ZINC000816200494 661034269 /nfs/dbraw/zinc/03/42/69/661034269.db2.gz OATSNQXIEOGKLN-UHFFFAOYSA-N -1 0 365.415 -0.002 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)[C@@H]3CCC(=O)N3C)cc12 ZINC000816200613 661034239 /nfs/dbraw/zinc/03/42/39/661034239.db2.gz SVDSCGFBPSHMEP-NSHDSACASA-N -1 0 351.388 -0.298 20 0 FBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC000816201679 661034244 /nfs/dbraw/zinc/03/42/44/661034244.db2.gz NCOXUUZULCPRTR-UHFFFAOYSA-N -1 0 351.388 -0.440 20 0 FBADRM CC(C)CN1C[C@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)CC1=O ZINC000816201994 661034336 /nfs/dbraw/zinc/03/43/36/661034336.db2.gz YNUSLPDUBCCQBD-LLVKDONJSA-N -1 0 370.431 -0.025 20 0 FBADRM CC(C)CN1C[C@@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)CC1=O ZINC000816201995 661034265 /nfs/dbraw/zinc/03/42/65/661034265.db2.gz YNUSLPDUBCCQBD-NSHDSACASA-N -1 0 370.431 -0.025 20 0 FBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)on1 ZINC000816202066 661034273 /nfs/dbraw/zinc/03/42/73/661034273.db2.gz BPUFKCCXKXPKGP-UHFFFAOYSA-N -1 0 356.316 -0.441 20 0 FBADRM COc1c(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)c(C)nn1C ZINC000816202183 661034344 /nfs/dbraw/zinc/03/43/44/661034344.db2.gz GXVBWDCSJNRREX-UHFFFAOYSA-N -1 0 355.376 -0.165 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2)[C@H]1CCSC1 ZINC000816202255 661034308 /nfs/dbraw/zinc/03/43/08/661034308.db2.gz JJELSRTTXBVUHC-JTQLQIEISA-N -1 0 360.461 -0.092 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2)[C@@H]1CCSC1 ZINC000816202256 661034483 /nfs/dbraw/zinc/03/44/83/661034483.db2.gz JJELSRTTXBVUHC-SNVBAGLBSA-N -1 0 360.461 -0.092 20 0 FBADRM C[C@@H](NC(=O)c1ccoc1)C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816202762 661034537 /nfs/dbraw/zinc/03/45/37/661034537.db2.gz GZGSPDBKQYLFRW-SECBINFHSA-N -1 0 368.371 -0.118 20 0 FBADRM C[C@H](NC(=O)c1ccoc1)C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816202763 661034578 /nfs/dbraw/zinc/03/45/78/661034578.db2.gz GZGSPDBKQYLFRW-VIFPVBQESA-N -1 0 368.371 -0.118 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn2c1OCCC2)[C@]12CCC(=O)N1CCS2 ZINC000816203165 661034572 /nfs/dbraw/zinc/03/45/72/661034572.db2.gz ZLKIHVUZPYVZNP-CYBMUJFWSA-N -1 0 372.428 -0.464 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn2c1OCCC2)[C@@]12CCC(=O)N1CCS2 ZINC000816203166 661034543 /nfs/dbraw/zinc/03/45/43/661034543.db2.gz ZLKIHVUZPYVZNP-ZDUSSCGKSA-N -1 0 372.428 -0.464 20 0 FBADRM C[C@H](NC(=O)c1ccco1)C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816203273 661034526 /nfs/dbraw/zinc/03/45/26/661034526.db2.gz FSOYGHVQCOHUQH-VIFPVBQESA-N -1 0 368.371 -0.118 20 0 FBADRM NC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)c1 ZINC000816203451 661034546 /nfs/dbraw/zinc/03/45/46/661034546.db2.gz NFVBUULSRUSSNA-UHFFFAOYSA-N -1 0 350.356 -0.117 20 0 FBADRM O=C(CCNC(=O)c1ccco1)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816204141 661034515 /nfs/dbraw/zinc/03/45/15/661034515.db2.gz TWKXBIVFLJOFFO-UHFFFAOYSA-N -1 0 368.371 -0.116 20 0 FBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)cn1 ZINC000816204224 661034567 /nfs/dbraw/zinc/03/45/67/661034567.db2.gz XLMHMAAZWMOVHF-UHFFFAOYSA-N -1 0 353.360 -0.027 20 0 FBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)[nH]1 ZINC000816204334 661034570 /nfs/dbraw/zinc/03/45/70/661034570.db2.gz BBYDOLSQCYHIBU-UHFFFAOYSA-N -1 0 354.344 -0.101 20 0 FBADRM COc1ncc(/C=C\C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)cn1 ZINC000816204398 661034606 /nfs/dbraw/zinc/03/46/06/661034606.db2.gz DLHURSLIYARRCH-ARJAWSKDSA-N -1 0 365.371 -0.018 20 0 FBADRM COc1ncc(/C=C/C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)cn1 ZINC000816204399 661034505 /nfs/dbraw/zinc/03/45/05/661034505.db2.gz DLHURSLIYARRCH-ONEGZZNKSA-N -1 0 365.371 -0.018 20 0 FBADRM NC(=O)c1csc(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)c1 ZINC000816204467 661034569 /nfs/dbraw/zinc/03/45/69/661034569.db2.gz GSULJDQQLJXPMT-UHFFFAOYSA-N -1 0 356.385 -0.055 20 0 FBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)cn1 ZINC000816204475 661034477 /nfs/dbraw/zinc/03/44/77/661034477.db2.gz GYRMHBALLJDAMZ-UHFFFAOYSA-N -1 0 365.371 -0.461 20 0 FBADRM COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2)C(C)C ZINC000816204868 661034600 /nfs/dbraw/zinc/03/46/00/661034600.db2.gz WVLMISWJVQVOAI-JTQLQIEISA-N -1 0 360.392 -0.149 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)c(C)n1 ZINC000816205021 661034449 /nfs/dbraw/zinc/03/44/49/661034449.db2.gz DJPXRPIOKGQVIL-UHFFFAOYSA-N -1 0 369.403 -0.064 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn2c1OCCC2)c1ccc2n[nH]c(=O)n2c1 ZINC000816205158 661034501 /nfs/dbraw/zinc/03/45/01/661034501.db2.gz KFRAZJHONHMGGF-UHFFFAOYSA-N -1 0 364.343 -0.467 20 0 FBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2)C(C)C ZINC000816205633 661034481 /nfs/dbraw/zinc/03/44/81/661034481.db2.gz FNDDBGSBGWHXAT-LBPRGKRZSA-N -1 0 374.419 -0.742 20 0 FBADRM COC(=O)CSCCC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816205834 661034602 /nfs/dbraw/zinc/03/46/02/661034602.db2.gz NUZKDJOSWFVXCR-UHFFFAOYSA-N -1 0 363.417 -0.233 20 0 FBADRM COC(=O)c1cncc(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)c1 ZINC000816205835 661034507 /nfs/dbraw/zinc/03/45/07/661034507.db2.gz NVLHCDQOUHXSPM-UHFFFAOYSA-N -1 0 366.355 -0.034 20 0 FBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)s1 ZINC000816205871 661034609 /nfs/dbraw/zinc/03/46/09/661034609.db2.gz PNDJURRYNUMOCR-UHFFFAOYSA-N -1 0 356.385 -0.055 20 0 FBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)n1 ZINC000816206018 661034550 /nfs/dbraw/zinc/03/45/50/661034550.db2.gz WHISIRTZJSFIFA-UHFFFAOYSA-N -1 0 355.376 -0.373 20 0 FBADRM Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816206405 661034464 /nfs/dbraw/zinc/03/44/64/661034464.db2.gz LYHZHPYDPJCGMS-UHFFFAOYSA-N -1 0 353.360 -0.778 20 0 FBADRM Cc1nn(C)c(C)c1OCC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816206463 661034595 /nfs/dbraw/zinc/03/45/95/661034595.db2.gz NOJXSXZMATZXPF-UHFFFAOYSA-N -1 0 369.403 -0.100 20 0 FBADRM CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816206639 661034460 /nfs/dbraw/zinc/03/44/60/661034460.db2.gz VRFLWSNEUIAWRY-UHFFFAOYSA-N -1 0 360.392 -0.003 20 0 FBADRM COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816207060 661034518 /nfs/dbraw/zinc/03/45/18/661034518.db2.gz NCBSRJFUWLHMCU-UHFFFAOYSA-N -1 0 360.392 -0.051 20 0 FBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)cc1 ZINC000816207067 661034541 /nfs/dbraw/zinc/03/45/41/661034541.db2.gz NHXUQAKROGXFTF-UHFFFAOYSA-N -1 0 350.356 -0.117 20 0 FBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)n1C ZINC000816207269 661034540 /nfs/dbraw/zinc/03/45/40/661034540.db2.gz WXKZJRATDVDQMR-UHFFFAOYSA-N -1 0 368.371 -0.091 20 0 FBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)c[nH]1 ZINC000816207343 661034588 /nfs/dbraw/zinc/03/45/88/661034588.db2.gz ZWMNFZDDCMANGC-UHFFFAOYSA-N -1 0 354.344 -0.101 20 0 FBADRM Cn1nnc2c1nccc2C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816207387 661034522 /nfs/dbraw/zinc/03/45/22/661034522.db2.gz BKPGHRMLSSZING-UHFFFAOYSA-N -1 0 363.359 -0.539 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn2c1OCCC2)c1cccn2c(=O)[nH]nc12 ZINC000816207443 661034534 /nfs/dbraw/zinc/03/45/34/661034534.db2.gz DATKHGUGLQMAOY-UHFFFAOYSA-N -1 0 364.343 -0.467 20 0 FBADRM Cc1ccn(CC(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)c(=O)c1 ZINC000816207576 661034528 /nfs/dbraw/zinc/03/45/28/661034528.db2.gz IUVKNBPEWKOESO-UHFFFAOYSA-N -1 0 352.372 -0.359 20 0 FBADRM O=C(CNC(=O)c1ccccc1)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000816207577 661034582 /nfs/dbraw/zinc/03/45/82/661034582.db2.gz IWLBWJCKZSQJFQ-UHFFFAOYSA-N -1 0 364.383 -0.100 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000816290844 661034955 /nfs/dbraw/zinc/03/49/55/661034955.db2.gz RVZAEATXAVSGAM-UHFFFAOYSA-N -1 0 357.314 -0.437 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C2=O)c(C(F)(F)F)n1 ZINC000816291207 661035066 /nfs/dbraw/zinc/03/50/66/661035066.db2.gz LXAAYWOFTOQCNV-LURJTMIESA-N -1 0 354.310 -0.278 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C2=O)c(C(F)(F)F)n1 ZINC000816291208 661035014 /nfs/dbraw/zinc/03/50/14/661035014.db2.gz LXAAYWOFTOQCNV-ZCFIWIBFSA-N -1 0 354.310 -0.278 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000816291390 661035096 /nfs/dbraw/zinc/03/50/96/661035096.db2.gz UHGAQGWYTRNJTP-UHFFFAOYSA-N -1 0 372.325 -0.651 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(N)=O)c2)c(C(F)(F)F)n1 ZINC000816291408 661035116 /nfs/dbraw/zinc/03/51/16/661035116.db2.gz UYULIHBGCACJAW-UHFFFAOYSA-N -1 0 365.293 -0.015 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CN2CCOCC2)c(C(F)(F)F)n1 ZINC000816291821 661035087 /nfs/dbraw/zinc/03/50/87/661035087.db2.gz NFZHPXMXXSIXLV-UHFFFAOYSA-N -1 0 356.326 -0.424 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CCn2ccnn2)c(C(F)(F)F)n1 ZINC000816292005 661034994 /nfs/dbraw/zinc/03/49/94/661034994.db2.gz WCAWSSDEGFBCKZ-UHFFFAOYSA-N -1 0 352.298 -0.074 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000816293049 661035051 /nfs/dbraw/zinc/03/50/51/661035051.db2.gz ORTMIRGLVSIQKW-MRVPVSSYSA-N -1 0 370.353 -0.036 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000816293050 661035040 /nfs/dbraw/zinc/03/50/40/661035040.db2.gz ORTMIRGLVSIQKW-QMMMGPOBSA-N -1 0 370.353 -0.036 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)N2C)c(C(F)(F)F)n1 ZINC000816293467 661035024 /nfs/dbraw/zinc/03/50/24/661035024.db2.gz HYCBETWLUVFCSN-LURJTMIESA-N -1 0 354.310 -0.135 20 0 FBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000816293587 661034979 /nfs/dbraw/zinc/03/49/79/661034979.db2.gz MXHOOVWXNZRQDV-YFKPBYRVSA-N -1 0 358.298 -0.012 20 0 FBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000816293810 661035101 /nfs/dbraw/zinc/03/51/01/661035101.db2.gz XAFVIIIWOQTSSB-UHFFFAOYSA-N -1 0 358.298 -0.058 20 0 FBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000816293961 661035048 /nfs/dbraw/zinc/03/50/48/661035048.db2.gz DCAKEGBODGIOET-UHFFFAOYSA-N -1 0 358.298 -0.010 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)c(C(F)(F)F)n1 ZINC000816294481 661035124 /nfs/dbraw/zinc/03/51/24/661035124.db2.gz ZKTJCNJKQBTKGT-UHFFFAOYSA-N -1 0 370.309 -0.897 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)nnn1C ZINC000816294660 661035010 /nfs/dbraw/zinc/03/50/10/661035010.db2.gz HYAKSBSPPFHPKF-UHFFFAOYSA-N -1 0 352.298 -0.005 20 0 FBADRM CCn1c(=O)c2ccc(C(=O)NC[C@@H](O)C(=O)NC)cc2[n-]c1=S ZINC000816328030 661035479 /nfs/dbraw/zinc/03/54/79/661035479.db2.gz YPLROIAAGCXYBG-LLVKDONJSA-N -1 0 350.400 -0.458 20 0 FBADRM CCn1c(=O)c2ccc(C(=O)NC[C@H](O)C(=O)NC)cc2[n-]c1=S ZINC000816328031 661035523 /nfs/dbraw/zinc/03/55/23/661035523.db2.gz YPLROIAAGCXYBG-NSHDSACASA-N -1 0 350.400 -0.458 20 0 FBADRM Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)Cn1ccc(=O)n(C)c1=O ZINC000816335419 661035803 /nfs/dbraw/zinc/03/58/03/661035803.db2.gz NAKIIBXFTPJIQP-UHFFFAOYSA-N -1 0 365.411 -0.190 20 0 FBADRM Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000816335690 661035815 /nfs/dbraw/zinc/03/58/15/661035815.db2.gz YFJYOERIBCOLMR-UHFFFAOYSA-N -1 0 365.411 -0.039 20 0 FBADRM Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)c1cn(CC(N)=O)nn1 ZINC000816336902 661035778 /nfs/dbraw/zinc/03/57/78/661035778.db2.gz XFULHZSIAXVEGT-UHFFFAOYSA-N -1 0 351.388 -0.360 20 0 FBADRM Cn1ccc(=O)n(CCCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1=O ZINC000816381344 661035691 /nfs/dbraw/zinc/03/56/91/661035691.db2.gz JKEQQUCLXKHRME-UHFFFAOYSA-N -1 0 364.324 -0.490 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[N-]OCC(C)(C)O ZINC000816382173 661035947 /nfs/dbraw/zinc/03/59/47/661035947.db2.gz GTZFAECZPGMJGP-SECBINFHSA-N -1 0 359.404 -0.729 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[N-]OCC(C)(C)O ZINC000816382174 661035908 /nfs/dbraw/zinc/03/59/08/661035908.db2.gz GTZFAECZPGMJGP-VIFPVBQESA-N -1 0 359.404 -0.729 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)[N-]OCC(C)(C)O)c1 ZINC000816383100 661035876 /nfs/dbraw/zinc/03/58/76/661035876.db2.gz ICNKTMLYOBEDQR-UHFFFAOYSA-N -1 0 373.431 -0.515 20 0 FBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c[nH]1 ZINC000816457616 661035921 /nfs/dbraw/zinc/03/59/21/661035921.db2.gz FWANTUWTWAINQZ-SECBINFHSA-N -1 0 353.360 -0.610 20 0 FBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c[nH]1 ZINC000816457617 661036035 /nfs/dbraw/zinc/03/60/35/661036035.db2.gz FWANTUWTWAINQZ-VIFPVBQESA-N -1 0 353.360 -0.610 20 0 FBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)on1 ZINC000816458266 661035903 /nfs/dbraw/zinc/03/59/03/661035903.db2.gz VDPFRDLWVGLKMV-MRVPVSSYSA-N -1 0 370.343 -0.262 20 0 FBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)on1 ZINC000816458267 661035988 /nfs/dbraw/zinc/03/59/88/661035988.db2.gz VDPFRDLWVGLKMV-QMMMGPOBSA-N -1 0 370.343 -0.262 20 0 FBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)nn1 ZINC000816458394 661036025 /nfs/dbraw/zinc/03/60/25/661036025.db2.gz XLDPYQXWCSNXGS-JTQLQIEISA-N -1 0 354.392 -0.035 20 0 FBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)nn1 ZINC000816458395 661035960 /nfs/dbraw/zinc/03/59/60/661035960.db2.gz XLDPYQXWCSNXGS-SNVBAGLBSA-N -1 0 354.392 -0.035 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000816458591 661035976 /nfs/dbraw/zinc/03/59/76/661035976.db2.gz BDUNFBYSYSRCDA-CMPLNLGQSA-N -1 0 368.415 -0.340 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000816458592 661036011 /nfs/dbraw/zinc/03/60/11/661036011.db2.gz BDUNFBYSYSRCDA-JQWIXIFHSA-N -1 0 368.415 -0.340 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000816458593 661035944 /nfs/dbraw/zinc/03/59/44/661035944.db2.gz BDUNFBYSYSRCDA-PWSUYJOCSA-N -1 0 368.415 -0.340 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000816458594 661035917 /nfs/dbraw/zinc/03/59/17/661035917.db2.gz BDUNFBYSYSRCDA-ZYHUDNBSSA-N -1 0 368.415 -0.340 20 0 FBADRM COc1cncc(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)n1 ZINC000816458627 661035995 /nfs/dbraw/zinc/03/59/95/661035995.db2.gz BUUAGRJGUYDVET-SECBINFHSA-N -1 0 353.360 -0.238 20 0 FBADRM COc1cncc(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)n1 ZINC000816458628 661035939 /nfs/dbraw/zinc/03/59/39/661035939.db2.gz BUUAGRJGUYDVET-VIFPVBQESA-N -1 0 353.360 -0.238 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)c1cc2n(n1)CCO2 ZINC000816458691 661036007 /nfs/dbraw/zinc/03/60/07/661036007.db2.gz DADKAOSQTUQUGS-SECBINFHSA-N -1 0 353.360 -0.448 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)c1cc2n(n1)CCO2 ZINC000816458692 661035980 /nfs/dbraw/zinc/03/59/80/661035980.db2.gz DADKAOSQTUQUGS-VIFPVBQESA-N -1 0 353.360 -0.448 20 0 FBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)CC1 ZINC000816459746 661035926 /nfs/dbraw/zinc/03/59/26/661035926.db2.gz APMFIVCPONIYIK-JTQLQIEISA-N -1 0 357.388 -0.007 20 0 FBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CC1 ZINC000816459747 661036037 /nfs/dbraw/zinc/03/60/37/661036037.db2.gz APMFIVCPONIYIK-SNVBAGLBSA-N -1 0 357.388 -0.007 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)c1cc2n(n1)CCCO2 ZINC000816459770 661035885 /nfs/dbraw/zinc/03/58/85/661035885.db2.gz AYTMUXCPOSLMPO-JTQLQIEISA-N -1 0 367.387 -0.058 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)c1cc2n(n1)CCCO2 ZINC000816459771 661035985 /nfs/dbraw/zinc/03/59/85/661035985.db2.gz AYTMUXCPOSLMPO-SNVBAGLBSA-N -1 0 367.387 -0.058 20 0 FBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)n1 ZINC000816459832 661036028 /nfs/dbraw/zinc/03/60/28/661036028.db2.gz BXKOHHHNBALVSL-JTQLQIEISA-N -1 0 354.392 -0.117 20 0 FBADRM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)n1 ZINC000816459833 661035963 /nfs/dbraw/zinc/03/59/63/661035963.db2.gz BXKOHHHNBALVSL-SNVBAGLBSA-N -1 0 354.392 -0.117 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)c1cnn2c1OCCC2 ZINC000816460596 661036256 /nfs/dbraw/zinc/03/62/56/661036256.db2.gz UYIASQQVOVORGI-JTQLQIEISA-N -1 0 367.387 -0.058 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)c1cnn2c1OCCC2 ZINC000816460597 661036220 /nfs/dbraw/zinc/03/62/20/661036220.db2.gz UYIASQQVOVORGI-SNVBAGLBSA-N -1 0 367.387 -0.058 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)c1cnc2n[nH]nc2c1 ZINC000816460697 661036177 /nfs/dbraw/zinc/03/61/77/661036177.db2.gz XMSAEQNSEOTAJV-SECBINFHSA-N -1 0 363.359 -0.371 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)c1cnc2n[nH]nc2c1 ZINC000816460698 661036278 /nfs/dbraw/zinc/03/62/78/661036278.db2.gz XMSAEQNSEOTAJV-VIFPVBQESA-N -1 0 363.359 -0.371 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000816462873 661036266 /nfs/dbraw/zinc/03/62/66/661036266.db2.gz VQVHSNABTNZKDB-AAEUAGOBSA-N -1 0 358.420 -0.630 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000816462874 661036264 /nfs/dbraw/zinc/03/62/64/661036264.db2.gz VQVHSNABTNZKDB-DGCLKSJQSA-N -1 0 358.420 -0.630 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000816462875 661036207 /nfs/dbraw/zinc/03/62/07/661036207.db2.gz VQVHSNABTNZKDB-WCQYABFASA-N -1 0 358.420 -0.630 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000816462876 661036173 /nfs/dbraw/zinc/03/61/73/661036173.db2.gz VQVHSNABTNZKDB-YPMHNXCESA-N -1 0 358.420 -0.630 20 0 FBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000816463012 661036196 /nfs/dbraw/zinc/03/61/96/661036196.db2.gz ZBVLILMGWKQIIR-JTQLQIEISA-N -1 0 360.392 -0.214 20 0 FBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000816463013 661036269 /nfs/dbraw/zinc/03/62/69/661036269.db2.gz ZBVLILMGWKQIIR-SNVBAGLBSA-N -1 0 360.392 -0.214 20 0 FBADRM O=C(CN1CCCCC1=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000816463427 661036222 /nfs/dbraw/zinc/03/62/22/661036222.db2.gz IFZWCBPRUGUWTL-LLVKDONJSA-N -1 0 356.404 -0.338 20 0 FBADRM O=C(CN1CCCCC1=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000816463428 661036190 /nfs/dbraw/zinc/03/61/90/661036190.db2.gz IFZWCBPRUGUWTL-NSHDSACASA-N -1 0 356.404 -0.338 20 0 FBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)n1 ZINC000816463744 661036268 /nfs/dbraw/zinc/03/62/68/661036268.db2.gz OQFUJMLECXXNKD-LLVKDONJSA-N -1 0 369.403 -0.194 20 0 FBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)n1 ZINC000816463745 661036202 /nfs/dbraw/zinc/03/62/02/661036202.db2.gz OQFUJMLECXXNKD-NSHDSACASA-N -1 0 369.403 -0.194 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)nn1C ZINC000816463784 661036184 /nfs/dbraw/zinc/03/61/84/661036184.db2.gz PJIJLOSGVCBDQT-SECBINFHSA-N -1 0 355.376 -0.295 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)nn1C ZINC000816463785 661036233 /nfs/dbraw/zinc/03/62/33/661036233.db2.gz PJIJLOSGVCBDQT-VIFPVBQESA-N -1 0 355.376 -0.295 20 0 FBADRM Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000816464573 661036135 /nfs/dbraw/zinc/03/61/35/661036135.db2.gz HORPBQFMRXGZKF-JTQLQIEISA-N -1 0 367.387 -0.599 20 0 FBADRM Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000816464574 661036188 /nfs/dbraw/zinc/03/61/88/661036188.db2.gz HORPBQFMRXGZKF-SNVBAGLBSA-N -1 0 367.387 -0.599 20 0 FBADRM COc1ncc(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)cn1 ZINC000816465916 661036165 /nfs/dbraw/zinc/03/61/65/661036165.db2.gz LILXWCIMEZRMSA-JTQLQIEISA-N -1 0 353.360 -0.238 20 0 FBADRM COc1ncc(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cn1 ZINC000816465917 661036240 /nfs/dbraw/zinc/03/62/40/661036240.db2.gz LILXWCIMEZRMSA-SNVBAGLBSA-N -1 0 353.360 -0.238 20 0 FBADRM Cc1ccn(CC(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c(=O)c1 ZINC000816466345 661036260 /nfs/dbraw/zinc/03/62/60/661036260.db2.gz UDRVWVJJWHFZAM-GFCCVEGCSA-N -1 0 366.399 -0.180 20 0 FBADRM Cc1ccn(CC(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c(=O)c1 ZINC000816466346 661036229 /nfs/dbraw/zinc/03/62/29/661036229.db2.gz UDRVWVJJWHFZAM-LBPRGKRZSA-N -1 0 366.399 -0.180 20 0 FBADRM CNS(=O)(=O)NC1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1 ZINC000816468214 661036214 /nfs/dbraw/zinc/03/62/14/661036214.db2.gz CFZGMJYBICVBTG-UHFFFAOYSA-N -1 0 374.385 -0.512 20 0 FBADRM CNS(=O)(=O)NC1CCN(C(=O)c2n[n-]c3ccccc3c2=O)CC1 ZINC000816468305 661036241 /nfs/dbraw/zinc/03/62/41/661036241.db2.gz DZTPDXZYAQYFMA-UHFFFAOYSA-N -1 0 365.415 -0.006 20 0 FBADRM O=C([C@H]1COCCN1C1CCCC1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000816493081 661036493 /nfs/dbraw/zinc/03/64/93/661036493.db2.gz OKRIQKDRMYIQGL-CYBMUJFWSA-N -1 0 350.423 -0.347 20 0 FBADRM O=C([C@@H]1COCCN1C1CCCC1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000816493082 661036520 /nfs/dbraw/zinc/03/65/20/661036520.db2.gz OKRIQKDRMYIQGL-ZDUSSCGKSA-N -1 0 350.423 -0.347 20 0 FBADRM CNS(=O)(=O)N1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1 ZINC000816528531 661036697 /nfs/dbraw/zinc/03/66/97/661036697.db2.gz GYWJLQOQWFEHII-UHFFFAOYSA-N -1 0 360.358 -0.948 20 0 FBADRM CN1C(=O)CN(C(=O)CCn2c(=O)c3ccccc3[n-]c2=S)CC1=O ZINC000816545099 661036766 /nfs/dbraw/zinc/03/67/66/661036766.db2.gz DJIYBQOWUQQPPZ-UHFFFAOYSA-N -1 0 360.395 -0.098 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCNS(=O)(=O)N(C)C ZINC000816588242 661036658 /nfs/dbraw/zinc/03/66/58/661036658.db2.gz JHGQNDIHEVBKRU-QMMMGPOBSA-N -1 0 362.374 -0.798 20 0 FBADRM CN(C)S(=O)(=O)NCCNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000816589175 661037047 /nfs/dbraw/zinc/03/70/47/661037047.db2.gz NQLUNSRHABNMCL-UHFFFAOYSA-N -1 0 371.444 -0.250 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCOCCS(N)(=O)=O ZINC000816593914 661037082 /nfs/dbraw/zinc/03/70/82/661037082.db2.gz IYEJGFHSVADMFC-QMMMGPOBSA-N -1 0 363.358 -0.889 20 0 FBADRM NS(=O)(=O)CCOCCNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000816594996 661036924 /nfs/dbraw/zinc/03/69/24/661036924.db2.gz VVZJFCADPCFZSW-UHFFFAOYSA-N -1 0 372.428 -0.341 20 0 FBADRM O=C(CCNS(=O)(=O)C=Cc1ccccc1)Nn1c(=O)[n-][nH]c1=O ZINC000816730620 661038138 /nfs/dbraw/zinc/03/81/38/661038138.db2.gz HPWAPTONIADMOK-CLFYSBASSA-N -1 0 353.360 -0.260 20 0 FBADRM O=C(CCNS(=O)(=O)C=Cc1ccccc1)Nn1c(=O)[n-][nH]c1=O ZINC000816730621 661038261 /nfs/dbraw/zinc/03/82/61/661038261.db2.gz HPWAPTONIADMOK-VQHVLOKHSA-N -1 0 353.360 -0.260 20 0 FBADRM Cc1ccc(S(=O)(=O)N(C)CC(=O)Nn2c(=O)[n-][nH]c2=O)cc1C ZINC000816730843 661038288 /nfs/dbraw/zinc/03/82/88/661038288.db2.gz RFVYKQRXPRHVLU-UHFFFAOYSA-N -1 0 355.376 -0.303 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nn2c(=O)[n-][nH]c2=O)c1 ZINC000816730917 661038472 /nfs/dbraw/zinc/03/84/72/661038472.db2.gz UNYNGVIJRMTTFH-UHFFFAOYSA-N -1 0 361.767 -0.023 20 0 FBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000816731046 661038531 /nfs/dbraw/zinc/03/85/31/661038531.db2.gz ZDXIJFSHLSLRRT-UHFFFAOYSA-N -1 0 367.387 -0.696 20 0 FBADRM CCOc1ccc(S(=O)(=O)NCCC(=O)Nn2c(=O)[n-][nH]c2=O)cc1 ZINC000816731080 661038493 /nfs/dbraw/zinc/03/84/93/661038493.db2.gz AGXCQIDLFLUYRC-UHFFFAOYSA-N -1 0 371.375 -0.473 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000816731181 661038438 /nfs/dbraw/zinc/03/84/38/661038438.db2.gz FANMTVSYIZAVNN-UHFFFAOYSA-N -1 0 370.391 -0.414 20 0 FBADRM COc1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc1S(=O)(=O)NC1CC1 ZINC000816731298 661038460 /nfs/dbraw/zinc/03/84/60/661038460.db2.gz LDBGLRFTNOAFNO-UHFFFAOYSA-N -1 0 369.359 -0.478 20 0 FBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000816731300 661038528 /nfs/dbraw/zinc/03/85/28/661038528.db2.gz LEKDVPKRNMRPEW-UHFFFAOYSA-N -1 0 353.360 -0.239 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nn2c(=O)[n-][nH]c2=O)cc1 ZINC000816731343 661038458 /nfs/dbraw/zinc/03/84/58/661038458.db2.gz NKQBENJOVMKVQH-NSHDSACASA-N -1 0 367.387 -0.079 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nn2c(=O)[n-][nH]c2=O)cc1 ZINC000816731539 661038523 /nfs/dbraw/zinc/03/85/23/661038523.db2.gz VQVAYIUZXXDHHO-ZETCQYMHSA-N -1 0 357.348 -0.865 20 0 FBADRM Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000816731550 661038536 /nfs/dbraw/zinc/03/85/36/661038536.db2.gz VVMAVSSPWAKNNU-UHFFFAOYSA-N -1 0 353.360 -0.078 20 0 FBADRM O=C(CNC(=O)c1cccc(Br)c1)Nn1c(=O)[n-][nH]c1=O ZINC000816731783 661038452 /nfs/dbraw/zinc/03/84/52/661038452.db2.gz FEZRHDDHDQDXFR-UHFFFAOYSA-N -1 0 356.136 -0.048 20 0 FBADRM COc1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc(Cl)c1OCC(N)=O ZINC000816731810 661038481 /nfs/dbraw/zinc/03/84/81/661038481.db2.gz GFMVDZNDILQWAX-UHFFFAOYSA-N -1 0 357.710 -0.401 20 0 FBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000816731829 661038429 /nfs/dbraw/zinc/03/84/29/661038429.db2.gz HBFZSVUVTNZVJD-UHFFFAOYSA-N -1 0 353.360 -0.142 20 0 FBADRM O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nn1c(=O)[n-][nH]c1=O ZINC000816732109 661038547 /nfs/dbraw/zinc/03/85/47/661038547.db2.gz SLCUXWZDPBAUQF-UHFFFAOYSA-N -1 0 367.387 -0.167 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCC(=O)Nn2c(=O)[n-][nH]c2=O)cc1C ZINC000816732173 661038511 /nfs/dbraw/zinc/03/85/11/661038511.db2.gz VWXTZHYJUMMXPN-UHFFFAOYSA-N -1 0 355.376 -0.255 20 0 FBADRM CS(=O)(=O)N1CCCc2cc(C(=O)Nn3c(=O)[n-][nH]c3=O)ccc21 ZINC000816732241 661038478 /nfs/dbraw/zinc/03/84/78/661038478.db2.gz YUOWCMLKHFNHBJ-UHFFFAOYSA-N -1 0 353.360 -0.215 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nn2c(=O)[n-][nH]c2=O)cc1 ZINC000816732748 661038415 /nfs/dbraw/zinc/03/84/15/661038415.db2.gz ULOIOVOOZZSUBF-UHFFFAOYSA-N -1 0 369.359 -0.669 20 0 FBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000816732828 661038488 /nfs/dbraw/zinc/03/84/88/661038488.db2.gz WYFAODGFYIKRDS-UHFFFAOYSA-N -1 0 369.359 -0.906 20 0 FBADRM Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000816732960 661038506 /nfs/dbraw/zinc/03/85/06/661038506.db2.gz CUROWBKHNRJITA-UHFFFAOYSA-N -1 0 353.360 -0.178 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)NCCC(=O)Nn2c(=O)[n-][nH]c2=O)c1 ZINC000816733020 661038435 /nfs/dbraw/zinc/03/84/35/661038435.db2.gz GIBCLLVALUFOSH-UHFFFAOYSA-N -1 0 369.359 -0.669 20 0 FBADRM O=C(Nn1c(=O)[n-][nH]c1=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000816733048 661038484 /nfs/dbraw/zinc/03/84/84/661038484.db2.gz HHFPFPUGFLFWDE-UHFFFAOYSA-N -1 0 367.387 -0.140 20 0 FBADRM COc1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc1S(=O)(=O)N(C)C ZINC000816733162 661038445 /nfs/dbraw/zinc/03/84/45/661038445.db2.gz LOXCPMWIRJSNCF-UHFFFAOYSA-N -1 0 357.348 -0.668 20 0 FBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000816733215 661038469 /nfs/dbraw/zinc/03/84/69/661038469.db2.gz NMUNBWVCDJUFEM-SNVBAGLBSA-N -1 0 353.360 -0.387 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nn2c(=O)[n-][nH]c2=O)s1 ZINC000816733420 661038516 /nfs/dbraw/zinc/03/85/16/661038516.db2.gz VUOXFYWQJJAUTM-MRVPVSSYSA-N -1 0 373.416 -0.017 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nn2c(=O)[n-][nH]c2=O)s1 ZINC000816733421 661038463 /nfs/dbraw/zinc/03/84/63/661038463.db2.gz VUOXFYWQJJAUTM-QMMMGPOBSA-N -1 0 373.416 -0.017 20 0 FBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000816733654 661038539 /nfs/dbraw/zinc/03/85/39/661038539.db2.gz GRDOJAPORWZKGO-SSDOTTSWSA-N -1 0 359.389 -0.326 20 0 FBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000816733655 661038449 /nfs/dbraw/zinc/03/84/49/661038449.db2.gz GRDOJAPORWZKGO-ZETCQYMHSA-N -1 0 359.389 -0.326 20 0 FBADRM CCC1CCC2(CC1)NC(=O)N(CC(=O)Nn1c(=O)[n-][nH]c1=O)C2=O ZINC000816733832 661038548 /nfs/dbraw/zinc/03/85/48/661038548.db2.gz NOTAVLCOWJERED-UHFFFAOYSA-N -1 0 352.351 -0.350 20 0 FBADRM Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nn2c(=O)[n-][nH]c2=O)c1 ZINC000816733918 661038459 /nfs/dbraw/zinc/03/84/59/661038459.db2.gz REHZAUPPHSXBTB-UHFFFAOYSA-N -1 0 355.376 -0.255 20 0 FBADRM O=C(CNC(=O)c1ccc(Br)cc1)Nn1c(=O)[n-][nH]c1=O ZINC000816733943 661038455 /nfs/dbraw/zinc/03/84/55/661038455.db2.gz SLGLWHRZTQLTQP-UHFFFAOYSA-N -1 0 356.136 -0.048 20 0 FBADRM CN(CC(=O)Nn1c(=O)[n-][nH]c1=O)C(=O)c1ccc(Br)o1 ZINC000816733945 661038509 /nfs/dbraw/zinc/03/85/09/661038509.db2.gz SMJGVRNYSCFROC-UHFFFAOYSA-N -1 0 360.124 -0.113 20 0 FBADRM O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)Nn1c(=O)[n-][nH]c1=O ZINC000816733976 661038466 /nfs/dbraw/zinc/03/84/66/661038466.db2.gz ULOWKUFHZJKOIX-UHFFFAOYSA-N -1 0 363.302 -0.594 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nn2c(=O)[n-][nH]c2=O)c1 ZINC000816734055 661038604 /nfs/dbraw/zinc/03/86/04/661038604.db2.gz XXXLWRKZTIAUMS-UHFFFAOYSA-N -1 0 371.375 -0.694 20 0 FBADRM C[C@@H]1Cc2cc(C(=O)Nn3c(=O)[n-][nH]c3=O)ccc2N1S(C)(=O)=O ZINC000816734063 661038735 /nfs/dbraw/zinc/03/87/35/661038735.db2.gz YDNZLZHDWQGSFO-SSDOTTSWSA-N -1 0 353.360 -0.216 20 0 FBADRM C[C@H]1Cc2cc(C(=O)Nn3c(=O)[n-][nH]c3=O)ccc2N1S(C)(=O)=O ZINC000816734064 661038682 /nfs/dbraw/zinc/03/86/82/661038682.db2.gz YDNZLZHDWQGSFO-ZETCQYMHSA-N -1 0 353.360 -0.216 20 0 FBADRM CN(CCCC(=O)Nn1c(=O)[n-][nH]c1=O)S(=O)(=O)c1ccc(F)cc1 ZINC000816734141 661038614 /nfs/dbraw/zinc/03/86/14/661038614.db2.gz AXUIDGFCKPIXJO-UHFFFAOYSA-N -1 0 373.366 -0.001 20 0 FBADRM COc1cc(-n2cnnn2)c(Cl)cc1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000816734233 661038751 /nfs/dbraw/zinc/03/87/51/661038751.db2.gz FNWYMMRSULNOKC-UHFFFAOYSA-N -1 0 352.698 -0.289 20 0 FBADRM O=C(CCNS(=O)(=O)c1cccc(Cl)c1)Nn1c(=O)[n-][nH]c1=O ZINC000816734322 661038685 /nfs/dbraw/zinc/03/86/85/661038685.db2.gz JMICVZDSBKEBDW-UHFFFAOYSA-N -1 0 361.767 -0.219 20 0 FBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000816734361 661038811 /nfs/dbraw/zinc/03/88/11/661038811.db2.gz LMMBQCADYGYMIS-JTQLQIEISA-N -1 0 367.387 -0.140 20 0 FBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000816734362 661038750 /nfs/dbraw/zinc/03/87/50/661038750.db2.gz LMMBQCADYGYMIS-SNVBAGLBSA-N -1 0 367.387 -0.140 20 0 FBADRM Cc1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc(S(=O)(=O)N(C)C)c1C ZINC000816734382 661038835 /nfs/dbraw/zinc/03/88/35/661038835.db2.gz MHWNFZWMEXIAOX-UHFFFAOYSA-N -1 0 355.376 -0.060 20 0 FBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000816734674 661038755 /nfs/dbraw/zinc/03/87/55/661038755.db2.gz YWVQQBYVINNUDR-UHFFFAOYSA-N -1 0 374.404 -0.861 20 0 FBADRM CCn1ncn([N-]C(=O)c2nc(S(C)(=O)=O)n3ccccc23)c1=O ZINC000816736610 661038787 /nfs/dbraw/zinc/03/87/87/661038787.db2.gz FEOHFENRVJVJAQ-UHFFFAOYSA-N -1 0 350.360 -0.500 20 0 FBADRM CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000816814938 661039834 /nfs/dbraw/zinc/03/98/34/661039834.db2.gz HRONUTXBJSKDDB-MRVPVSSYSA-N -1 0 359.370 -0.064 20 0 FBADRM CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000816814939 661039731 /nfs/dbraw/zinc/03/97/31/661039731.db2.gz HRONUTXBJSKDDB-QMMMGPOBSA-N -1 0 359.370 -0.064 20 0 FBADRM COc1c(C)cnc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1C ZINC000817105882 661042034 /nfs/dbraw/zinc/04/20/34/661042034.db2.gz AJOMQKOUHJXMQY-GFCCVEGCSA-N -1 0 351.359 -0.365 20 0 FBADRM COc1c(C)cnc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1C ZINC000817105887 661041933 /nfs/dbraw/zinc/04/19/33/661041933.db2.gz AJOMQKOUHJXMQY-LBPRGKRZSA-N -1 0 351.359 -0.365 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000817109619 661041971 /nfs/dbraw/zinc/04/19/71/661041971.db2.gz XUNGOONVIYMJAI-MRVPVSSYSA-N -1 0 355.297 -0.047 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000817109622 661041938 /nfs/dbraw/zinc/04/19/38/661041938.db2.gz XUNGOONVIYMJAI-QMMMGPOBSA-N -1 0 355.297 -0.047 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)CCO1 ZINC000817110899 661041950 /nfs/dbraw/zinc/04/19/50/661041950.db2.gz PKSVYXHJDIUDDI-NEPJUHHUSA-N -1 0 356.375 -0.510 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)CCO1 ZINC000817110900 661041909 /nfs/dbraw/zinc/04/19/09/661041909.db2.gz PKSVYXHJDIUDDI-NWDGAFQWSA-N -1 0 356.375 -0.510 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)CCO1 ZINC000817110901 661042009 /nfs/dbraw/zinc/04/20/09/661042009.db2.gz PKSVYXHJDIUDDI-RYUDHWBXSA-N -1 0 356.375 -0.510 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)CCO1 ZINC000817110902 661042047 /nfs/dbraw/zinc/04/20/47/661042047.db2.gz PKSVYXHJDIUDDI-VXGBXAGGSA-N -1 0 356.375 -0.510 20 0 FBADRM O=C(CCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)OC1CCCCC1 ZINC000817111380 661041922 /nfs/dbraw/zinc/04/19/22/661041922.db2.gz AQZVFJAZXDFFPA-GFCCVEGCSA-N -1 0 356.375 -0.319 20 0 FBADRM O=C(CCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)OC1CCCCC1 ZINC000817111381 661042005 /nfs/dbraw/zinc/04/20/05/661042005.db2.gz AQZVFJAZXDFFPA-LBPRGKRZSA-N -1 0 356.375 -0.319 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)CCO1 ZINC000817111823 661042022 /nfs/dbraw/zinc/04/20/22/661042022.db2.gz LCNMQDFRFMNRBC-CHWFTXMASA-N -1 0 360.457 -0.206 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)CCO1 ZINC000817111824 661042056 /nfs/dbraw/zinc/04/20/56/661042056.db2.gz LCNMQDFRFMNRBC-RCWTZXSCSA-N -1 0 360.457 -0.206 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)CCO1 ZINC000817111825 661041953 /nfs/dbraw/zinc/04/19/53/661041953.db2.gz LCNMQDFRFMNRBC-VPOLOUISSA-N -1 0 360.457 -0.206 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)CCO1 ZINC000817111826 661041903 /nfs/dbraw/zinc/04/19/03/661041903.db2.gz LCNMQDFRFMNRBC-ZNSHCXBVSA-N -1 0 360.457 -0.206 20 0 FBADRM COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000817112496 661041967 /nfs/dbraw/zinc/04/19/67/661041967.db2.gz YXCLTILCFZEBDZ-GRYCIOLGSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000817112497 661042043 /nfs/dbraw/zinc/04/20/43/661042043.db2.gz YXCLTILCFZEBDZ-SDDRHHMPSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000817112498 661041946 /nfs/dbraw/zinc/04/19/46/661041946.db2.gz YXCLTILCFZEBDZ-SRVKXCTJSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000817112499 661042000 /nfs/dbraw/zinc/04/20/00/661042000.db2.gz YXCLTILCFZEBDZ-WOPDTQHZSA-N -1 0 355.391 -0.097 20 0 FBADRM CCN(CC)C(=O)N1CCN(C(=O)C(=O)NCCCCC(=O)[O-])CC1 ZINC000817112679 661041993 /nfs/dbraw/zinc/04/19/93/661041993.db2.gz IAKATUSEXRIKQZ-UHFFFAOYSA-N -1 0 356.423 -0.037 20 0 FBADRM O=C([O-])CCCCNC(=O)C(=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC000817113230 661042053 /nfs/dbraw/zinc/04/20/53/661042053.db2.gz RTVHXLBNLAWLNY-UHFFFAOYSA-N -1 0 354.407 -0.283 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000817114364 661041973 /nfs/dbraw/zinc/04/19/73/661041973.db2.gz GDRUMUWSYNRAQJ-GHMZBOCLSA-N -1 0 356.400 -0.010 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000817114365 661042019 /nfs/dbraw/zinc/04/20/19/661042019.db2.gz GDRUMUWSYNRAQJ-MNOVXSKESA-N -1 0 356.400 -0.010 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000817114366 661041982 /nfs/dbraw/zinc/04/19/82/661041982.db2.gz GDRUMUWSYNRAQJ-QWRGUYRKSA-N -1 0 356.400 -0.010 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000817114367 661042272 /nfs/dbraw/zinc/04/22/72/661042272.db2.gz GDRUMUWSYNRAQJ-WDEREUQCSA-N -1 0 356.400 -0.010 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000817114456 661042263 /nfs/dbraw/zinc/04/22/63/661042263.db2.gz HWGORRYMQOEFFB-KBPBESRZSA-N -1 0 350.371 -0.072 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000817114457 661042318 /nfs/dbraw/zinc/04/23/18/661042318.db2.gz HWGORRYMQOEFFB-KGLIPLIRSA-N -1 0 350.371 -0.072 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000817114458 661042168 /nfs/dbraw/zinc/04/21/68/661042168.db2.gz HWGORRYMQOEFFB-UONOGXRCSA-N -1 0 350.371 -0.072 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000817114459 661042315 /nfs/dbraw/zinc/04/23/15/661042315.db2.gz HWGORRYMQOEFFB-ZIAGYGMSSA-N -1 0 350.371 -0.072 20 0 FBADRM COc1ccc(OC)c2c1CN(C(=O)C(=O)NCCC(=O)[O-])C[C@@H]2O ZINC000817114604 661042257 /nfs/dbraw/zinc/04/22/57/661042257.db2.gz JDKWKHZSSBQRCH-JTQLQIEISA-N -1 0 352.343 -0.330 20 0 FBADRM COc1ccc(OC)c2c1CN(C(=O)C(=O)NCCC(=O)[O-])C[C@H]2O ZINC000817114687 661042208 /nfs/dbraw/zinc/04/22/08/661042208.db2.gz JDKWKHZSSBQRCH-SNVBAGLBSA-N -1 0 352.343 -0.330 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)N1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000817115537 661042302 /nfs/dbraw/zinc/04/23/02/661042302.db2.gz RIZFLGBGINUDSL-UHFFFAOYSA-N -1 0 360.292 -0.262 20 0 FBADRM C[C@@](O)(CCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000817116069 661042283 /nfs/dbraw/zinc/04/22/83/661042283.db2.gz PYSYTQSRLLWHNV-CXAGYDPISA-N -1 0 350.371 -0.288 20 0 FBADRM C[C@](O)(CCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000817116070 661042308 /nfs/dbraw/zinc/04/23/08/661042308.db2.gz PYSYTQSRLLWHNV-DYVFJYSZSA-N -1 0 350.371 -0.288 20 0 FBADRM C[C@](O)(CCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000817116072 661042238 /nfs/dbraw/zinc/04/22/38/661042238.db2.gz PYSYTQSRLLWHNV-GUYCJALGSA-N -1 0 350.371 -0.288 20 0 FBADRM C[C@@](O)(CCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000817116073 661042335 /nfs/dbraw/zinc/04/23/35/661042335.db2.gz PYSYTQSRLLWHNV-SUMWQHHRSA-N -1 0 350.371 -0.288 20 0 FBADRM CC1(C)CN=C(N2CCN(C(=O)C(=O)NCCCC(=O)[O-])CC2)S1 ZINC000817116164 661042275 /nfs/dbraw/zinc/04/22/75/661042275.db2.gz WYFFYWDAYFUIGH-UHFFFAOYSA-N -1 0 356.448 -0.007 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]CC(=O)N(C)OC ZINC000817148359 661042393 /nfs/dbraw/zinc/04/23/93/661042393.db2.gz PBLAAMZKJLHFQZ-SSDOTTSWSA-N -1 0 350.315 -0.190 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CC(=O)N(C)OC ZINC000817148360 661042519 /nfs/dbraw/zinc/04/25/19/661042519.db2.gz PBLAAMZKJLHFQZ-ZETCQYMHSA-N -1 0 350.315 -0.190 20 0 FBADRM CON(C)C(=O)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000817660515 661043699 /nfs/dbraw/zinc/04/36/99/661043699.db2.gz YBAWJXNCPZSHJE-UHFFFAOYSA-N -1 0 351.331 -0.621 20 0 FBADRM CON(C)C(=O)CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000817663967 661044015 /nfs/dbraw/zinc/04/40/15/661044015.db2.gz LPKYYNBGUFJIPZ-UHFFFAOYSA-N -1 0 371.415 -0.074 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC1 ZINC000817694672 597060674 /nfs/dbraw/zinc/06/06/74/597060674.db2.gz DQQXSTKGQWCSET-AWEZNQCLSA-N -1 0 368.434 -0.037 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1 ZINC000817694674 597060852 /nfs/dbraw/zinc/06/08/52/597060852.db2.gz DQQXSTKGQWCSET-CQSZACIVSA-N -1 0 368.434 -0.037 20 0 FBADRM CC(=O)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000817694894 597297292 /nfs/dbraw/zinc/29/72/92/597297292.db2.gz LMKDTOJPWQOZAX-UHFFFAOYSA-N -1 0 368.411 -0.010 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)[O-])s1 ZINC000817706064 600697052 /nfs/dbraw/zinc/69/70/52/600697052.db2.gz BBLBTFPZTXUWHE-UHFFFAOYSA-N -1 0 350.374 -0.710 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CCO1 ZINC000817706551 601472658 /nfs/dbraw/zinc/47/26/58/601472658.db2.gz ZIVLEUODZPALHM-CYBMUJFWSA-N -1 0 363.370 -0.384 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CCO1 ZINC000817706552 601472463 /nfs/dbraw/zinc/47/24/63/601472463.db2.gz ZIVLEUODZPALHM-ZDUSSCGKSA-N -1 0 363.370 -0.384 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(S(=O)(=O)C(F)F)c1 ZINC000817716346 661044357 /nfs/dbraw/zinc/04/43/57/661044357.db2.gz LHLYOGRKKGKPEL-UHFFFAOYSA-N -1 0 371.339 -0.085 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](C)c1ccnn1C ZINC000817716552 661044306 /nfs/dbraw/zinc/04/43/06/661044306.db2.gz NQZGYOWIFBITFR-CMPLNLGQSA-N -1 0 358.420 -0.088 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](C)c1ccnn1C ZINC000817716553 661044407 /nfs/dbraw/zinc/04/44/07/661044407.db2.gz NQZGYOWIFBITFR-JQWIXIFHSA-N -1 0 358.420 -0.088 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](C)c1ccnn1C ZINC000817716554 661044410 /nfs/dbraw/zinc/04/44/10/661044410.db2.gz NQZGYOWIFBITFR-PWSUYJOCSA-N -1 0 358.420 -0.088 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](C)c1ccnn1C ZINC000817716555 661044261 /nfs/dbraw/zinc/04/42/61/661044261.db2.gz NQZGYOWIFBITFR-ZYHUDNBSSA-N -1 0 358.420 -0.088 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C ZINC000817716814 661044750 /nfs/dbraw/zinc/04/47/50/661044750.db2.gz RKBORWKHHLQCTN-VIFPVBQESA-N -1 0 368.408 -0.465 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C ZINC000817718499 661044770 /nfs/dbraw/zinc/04/47/70/661044770.db2.gz ICBAPYYFTNRRAY-VIFPVBQESA-N -1 0 367.424 -0.245 20 0 FBADRM C[C@H](C(=O)[O-])N(C)C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000817757351 597465961 /nfs/dbraw/zinc/46/59/61/597465961.db2.gz SMDKLVCORJHKFH-SSDOTTSWSA-N -1 0 357.344 -0.827 20 0 FBADRM C[C@@H](C(=O)[O-])N(C)C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000817757357 597465822 /nfs/dbraw/zinc/46/58/22/597465822.db2.gz SMDKLVCORJHKFH-ZETCQYMHSA-N -1 0 357.344 -0.827 20 0 FBADRM C[C@H](C(=O)[O-])N(C)CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000817768970 597476336 /nfs/dbraw/zinc/47/63/36/597476336.db2.gz UKZZXVSNWDEPMC-AGIUHOORSA-N -1 0 362.448 -0.414 20 0 FBADRM C[C@H](C(=O)[O-])N(C)CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000817768973 597476472 /nfs/dbraw/zinc/47/64/72/597476472.db2.gz UKZZXVSNWDEPMC-FRRDWIJNSA-N -1 0 362.448 -0.414 20 0 FBADRM C[C@H](C(=O)[O-])N(C)CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000817768976 597476871 /nfs/dbraw/zinc/47/68/71/597476871.db2.gz UKZZXVSNWDEPMC-JHJVBQTASA-N -1 0 362.448 -0.414 20 0 FBADRM C[C@H](C(=O)[O-])N(C)CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000817768978 597476340 /nfs/dbraw/zinc/47/63/40/597476340.db2.gz UKZZXVSNWDEPMC-UPJWGTAASA-N -1 0 362.448 -0.414 20 0 FBADRM C[C@H](C(=O)[O-])N(C)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000817772240 597472611 /nfs/dbraw/zinc/47/26/11/597472611.db2.gz NQWKSJMRRNFZNR-LLVKDONJSA-N -1 0 361.406 -0.583 20 0 FBADRM C[C@@H](C(=O)[O-])N(C)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000817772241 597472805 /nfs/dbraw/zinc/47/28/05/597472805.db2.gz NQWKSJMRRNFZNR-NSHDSACASA-N -1 0 361.406 -0.583 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000817791297 597076978 /nfs/dbraw/zinc/07/69/78/597076978.db2.gz CYKSFDNUKTWWDB-NXEZZACHSA-N -1 0 352.391 -0.576 20 0 FBADRM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000817791300 597076819 /nfs/dbraw/zinc/07/68/19/597076819.db2.gz CYKSFDNUKTWWDB-UWVGGRQHSA-N -1 0 352.391 -0.576 20 0 FBADRM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000817791304 597077015 /nfs/dbraw/zinc/07/70/15/597077015.db2.gz CYKSFDNUKTWWDB-VHSXEESVSA-N -1 0 352.391 -0.576 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000817791307 597077396 /nfs/dbraw/zinc/07/73/96/597077396.db2.gz CYKSFDNUKTWWDB-ZJUUUORDSA-N -1 0 352.391 -0.576 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(CC(=O)[O-])C2)CC1 ZINC000817808205 597366974 /nfs/dbraw/zinc/36/69/74/597366974.db2.gz OHVMXQVQECWAKH-UHFFFAOYSA-N -1 0 363.436 -0.362 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NCCC(=O)[O-])CC1 ZINC000817808778 597217831 /nfs/dbraw/zinc/21/78/31/597217831.db2.gz UBVJUMRSGIEZLG-UHFFFAOYSA-N -1 0 358.395 -0.160 20 0 FBADRM CC(C)(CCC(=O)[O-])NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000817828182 600948905 /nfs/dbraw/zinc/94/89/05/600948905.db2.gz PTKDUOXACRXGTE-UHFFFAOYSA-N -1 0 360.392 -0.849 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-])NS(C)(=O)=O ZINC000817842145 601471297 /nfs/dbraw/zinc/47/12/97/601471297.db2.gz UTPNOOAICRTCTO-UHFFFAOYSA-N -1 0 371.415 -0.304 20 0 FBADRM COCCO[N-]C(=O)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000817851437 661046729 /nfs/dbraw/zinc/04/67/29/661046729.db2.gz XUBJIOWTDXXULI-LLVKDONJSA-N -1 0 361.395 -0.567 20 0 FBADRM COCCO[N-]C(=O)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000817851443 661046815 /nfs/dbraw/zinc/04/68/15/661046815.db2.gz XUBJIOWTDXXULI-NSHDSACASA-N -1 0 361.395 -0.567 20 0 FBADRM COCCO[N-]C(=O)C(=O)NC1CN(C(=O)OCc2ccccc2)C1 ZINC000817855102 661046849 /nfs/dbraw/zinc/04/68/49/661046849.db2.gz FXBCWAJNRLKQLQ-UHFFFAOYSA-N -1 0 351.359 -0.182 20 0 FBADRM CC(C)C[C@@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000817863301 597033181 /nfs/dbraw/zinc/03/31/81/597033181.db2.gz HQFFOYWAWAYNKI-CMPLNLGQSA-N -1 0 373.431 -0.233 20 0 FBADRM CC(C)C[C@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000817863302 597066009 /nfs/dbraw/zinc/06/60/09/597066009.db2.gz HQFFOYWAWAYNKI-JQWIXIFHSA-N -1 0 373.431 -0.233 20 0 FBADRM CC(C)C[C@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000817863303 597066175 /nfs/dbraw/zinc/06/61/75/597066175.db2.gz HQFFOYWAWAYNKI-PWSUYJOCSA-N -1 0 373.431 -0.233 20 0 FBADRM CC(C)C[C@@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000817863304 597033176 /nfs/dbraw/zinc/03/31/76/597033176.db2.gz HQFFOYWAWAYNKI-ZYHUDNBSSA-N -1 0 373.431 -0.233 20 0 FBADRM CC(C)C[C@@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)C(=O)[O-] ZINC000817863351 597032001 /nfs/dbraw/zinc/03/20/01/597032001.db2.gz PMXLHQXZJJYGIH-SNVBAGLBSA-N -1 0 360.392 -0.993 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000817870564 661046824 /nfs/dbraw/zinc/04/68/24/661046824.db2.gz BELZMOYBUXSQHR-CMPLNLGQSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000817870565 661046947 /nfs/dbraw/zinc/04/69/47/661046947.db2.gz BELZMOYBUXSQHR-JQWIXIFHSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000817870566 661046873 /nfs/dbraw/zinc/04/68/73/661046873.db2.gz BELZMOYBUXSQHR-PWSUYJOCSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000817870567 661046746 /nfs/dbraw/zinc/04/67/46/661046746.db2.gz BELZMOYBUXSQHR-ZYHUDNBSSA-N -1 0 358.416 -0.512 20 0 FBADRM CCOC(=O)N1CCC[C@@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])C1 ZINC000817870916 661047208 /nfs/dbraw/zinc/04/72/08/661047208.db2.gz LIZSXVXWICACIT-GHMZBOCLSA-N -1 0 362.404 -0.435 20 0 FBADRM CCOC(=O)N1CCC[C@@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])C1 ZINC000817870917 661047135 /nfs/dbraw/zinc/04/71/35/661047135.db2.gz LIZSXVXWICACIT-MNOVXSKESA-N -1 0 362.404 -0.435 20 0 FBADRM CCOC(=O)N1CCC[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])C1 ZINC000817870918 661047178 /nfs/dbraw/zinc/04/71/78/661047178.db2.gz LIZSXVXWICACIT-QWRGUYRKSA-N -1 0 362.404 -0.435 20 0 FBADRM CCOC(=O)N1CCC[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])C1 ZINC000817870919 661047099 /nfs/dbraw/zinc/04/70/99/661047099.db2.gz LIZSXVXWICACIT-WDEREUQCSA-N -1 0 362.404 -0.435 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000817871788 661047105 /nfs/dbraw/zinc/04/71/05/661047105.db2.gz WOACCTCIFVMBJW-CHWSQXEVSA-N -1 0 352.368 -0.110 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000817871789 661047175 /nfs/dbraw/zinc/04/71/75/661047175.db2.gz WOACCTCIFVMBJW-OLZOCXBDSA-N -1 0 352.368 -0.110 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000817871790 661047195 /nfs/dbraw/zinc/04/71/95/661047195.db2.gz WOACCTCIFVMBJW-QWHCGFSZSA-N -1 0 352.368 -0.110 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000817871791 661047080 /nfs/dbraw/zinc/04/70/80/661047080.db2.gz WOACCTCIFVMBJW-STQMWFEESA-N -1 0 352.368 -0.110 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000817874279 661047115 /nfs/dbraw/zinc/04/71/15/661047115.db2.gz OVWXBIKVHCXSJU-NEPJUHHUSA-N -1 0 363.436 -0.599 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000817874283 661047072 /nfs/dbraw/zinc/04/70/72/661047072.db2.gz OVWXBIKVHCXSJU-NWDGAFQWSA-N -1 0 363.436 -0.599 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000817874287 661047158 /nfs/dbraw/zinc/04/71/58/661047158.db2.gz OVWXBIKVHCXSJU-RYUDHWBXSA-N -1 0 363.436 -0.599 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000817874288 661047187 /nfs/dbraw/zinc/04/71/87/661047187.db2.gz OVWXBIKVHCXSJU-VXGBXAGGSA-N -1 0 363.436 -0.599 20 0 FBADRM C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000817874491 661047110 /nfs/dbraw/zinc/04/71/10/661047110.db2.gz FGWLQUMGTHUYNP-CMPLNLGQSA-N -1 0 370.431 -0.602 20 0 FBADRM C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000817874492 661047131 /nfs/dbraw/zinc/04/71/31/661047131.db2.gz FGWLQUMGTHUYNP-JQWIXIFHSA-N -1 0 370.431 -0.602 20 0 FBADRM C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000817874493 661047206 /nfs/dbraw/zinc/04/72/06/661047206.db2.gz FGWLQUMGTHUYNP-PWSUYJOCSA-N -1 0 370.431 -0.602 20 0 FBADRM C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000817874494 661047216 /nfs/dbraw/zinc/04/72/16/661047216.db2.gz FGWLQUMGTHUYNP-ZYHUDNBSSA-N -1 0 370.431 -0.602 20 0 FBADRM Cn1[nH]c(C(C)(C)C)cc1=NC(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000817874521 661047220 /nfs/dbraw/zinc/04/72/20/661047220.db2.gz HDVSSIFERPHXIG-JTQLQIEISA-N -1 0 372.447 -0.738 20 0 FBADRM Cn1[nH]c(C(C)(C)C)cc1=NC(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000817874522 661047180 /nfs/dbraw/zinc/04/71/80/661047180.db2.gz HDVSSIFERPHXIG-SNVBAGLBSA-N -1 0 372.447 -0.738 20 0 FBADRM CC(C)C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)C(=O)[O-] ZINC000817878219 597035387 /nfs/dbraw/zinc/03/53/87/597035387.db2.gz BYJKMMAVIRVPRV-LLVKDONJSA-N -1 0 353.379 -0.475 20 0 FBADRM CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000817878230 598195230 /nfs/dbraw/zinc/19/52/30/598195230.db2.gz DAKRNKYAPOSNHM-LLVKDONJSA-N -1 0 357.388 -0.112 20 0 FBADRM CC(C)C[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)C(=O)[O-] ZINC000817878312 597036091 /nfs/dbraw/zinc/03/60/91/597036091.db2.gz QKNBDTZWIYVYMX-SNVBAGLBSA-N -1 0 353.379 -0.475 20 0 FBADRM CC(C)C[C@@H](NC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000817878351 597035597 /nfs/dbraw/zinc/03/55/97/597035597.db2.gz WVKYSBKPPPZQHF-LLVKDONJSA-N -1 0 357.388 -0.112 20 0 FBADRM COC(=O)c1cc(OC)ccc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000817884423 597703664 /nfs/dbraw/zinc/70/36/64/597703664.db2.gz JTNPTHOTHDWUDK-GFCCVEGCSA-N -1 0 366.326 -0.268 20 0 FBADRM COC(=O)c1cc(OC)ccc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000817884424 597703635 /nfs/dbraw/zinc/70/36/35/597703635.db2.gz JTNPTHOTHDWUDK-LBPRGKRZSA-N -1 0 366.326 -0.268 20 0 FBADRM CCOC(=O)N1CCN(C(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)CC1 ZINC000817888358 661047201 /nfs/dbraw/zinc/04/72/01/661047201.db2.gz GEYJQPVCMZNCQQ-NEPJUHHUSA-N -1 0 355.391 -0.144 20 0 FBADRM CCOC(=O)N1CCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)CC1 ZINC000817888359 661047149 /nfs/dbraw/zinc/04/71/49/661047149.db2.gz GEYJQPVCMZNCQQ-NWDGAFQWSA-N -1 0 355.391 -0.144 20 0 FBADRM CCOC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)CC1 ZINC000817888360 661047203 /nfs/dbraw/zinc/04/72/03/661047203.db2.gz GEYJQPVCMZNCQQ-RYUDHWBXSA-N -1 0 355.391 -0.144 20 0 FBADRM CCOC(=O)N1CCN(C(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)CC1 ZINC000817888461 661047198 /nfs/dbraw/zinc/04/71/98/661047198.db2.gz GEYJQPVCMZNCQQ-VXGBXAGGSA-N -1 0 355.391 -0.144 20 0 FBADRM CCOC(=O)N1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)C1 ZINC000817891020 661047213 /nfs/dbraw/zinc/04/72/13/661047213.db2.gz DPLHOWJNYMLQMP-SRVKXCTJSA-N -1 0 355.391 -0.097 20 0 FBADRM CCOC(=O)N1CC[C@H](NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)C1 ZINC000817891021 661047127 /nfs/dbraw/zinc/04/71/27/661047127.db2.gz DPLHOWJNYMLQMP-TUAOUCFPSA-N -1 0 355.391 -0.097 20 0 FBADRM CCOC(=O)N1CC[C@H](NC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)C1 ZINC000817891022 661047087 /nfs/dbraw/zinc/04/70/87/661047087.db2.gz DPLHOWJNYMLQMP-UTUOFQBUSA-N -1 0 355.391 -0.097 20 0 FBADRM CCOC(=O)N1CC[C@H](NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)C1 ZINC000817891023 661047167 /nfs/dbraw/zinc/04/71/67/661047167.db2.gz DPLHOWJNYMLQMP-WOPDTQHZSA-N -1 0 355.391 -0.097 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCS(=O)(=O)CC2CC2)C1 ZINC000817891075 661047193 /nfs/dbraw/zinc/04/71/93/661047193.db2.gz FNQVYDQQRKUXEE-CMPLNLGQSA-N -1 0 360.432 -0.503 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCS(=O)(=O)CC2CC2)C1 ZINC000817891076 661047225 /nfs/dbraw/zinc/04/72/25/661047225.db2.gz FNQVYDQQRKUXEE-JQWIXIFHSA-N -1 0 360.432 -0.503 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCS(=O)(=O)CC2CC2)C1 ZINC000817891077 661047123 /nfs/dbraw/zinc/04/71/23/661047123.db2.gz FNQVYDQQRKUXEE-PWSUYJOCSA-N -1 0 360.432 -0.503 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCS(=O)(=O)CC2CC2)C1 ZINC000817891078 661047163 /nfs/dbraw/zinc/04/71/63/661047163.db2.gz FNQVYDQQRKUXEE-ZYHUDNBSSA-N -1 0 360.432 -0.503 20 0 FBADRM COC(=O)N1CCC[C@H](NC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)C1 ZINC000817891285 661047218 /nfs/dbraw/zinc/04/72/18/661047218.db2.gz JIUBWCBIXQFAPY-SRVKXCTJSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)N1CCC[C@H](NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)C1 ZINC000817891286 661047172 /nfs/dbraw/zinc/04/71/72/661047172.db2.gz JIUBWCBIXQFAPY-TUAOUCFPSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)N1CCC[C@H](NC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)C1 ZINC000817891287 661047095 /nfs/dbraw/zinc/04/70/95/661047095.db2.gz JIUBWCBIXQFAPY-UTUOFQBUSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)N1CCC[C@H](NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)C1 ZINC000817891288 661047204 /nfs/dbraw/zinc/04/72/04/661047204.db2.gz JIUBWCBIXQFAPY-WOPDTQHZSA-N -1 0 355.391 -0.097 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)C1 ZINC000817891301 661047190 /nfs/dbraw/zinc/04/71/90/661047190.db2.gz JRYYUSVINWDHIU-GHMZBOCLSA-N -1 0 362.448 -0.115 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)C1 ZINC000817891302 661047228 /nfs/dbraw/zinc/04/72/28/661047228.db2.gz JRYYUSVINWDHIU-MNOVXSKESA-N -1 0 362.448 -0.115 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)C1 ZINC000817891303 661047554 /nfs/dbraw/zinc/04/75/54/661047554.db2.gz JRYYUSVINWDHIU-QWRGUYRKSA-N -1 0 362.448 -0.115 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)C1 ZINC000817891304 661047572 /nfs/dbraw/zinc/04/75/72/661047572.db2.gz JRYYUSVINWDHIU-WDEREUQCSA-N -1 0 362.448 -0.115 20 0 FBADRM CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000817895651 661047319 /nfs/dbraw/zinc/04/73/19/661047319.db2.gz ZNTDHLLKQILGSI-GHMZBOCLSA-N -1 0 357.363 -0.965 20 0 FBADRM CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000817895655 661047481 /nfs/dbraw/zinc/04/74/81/661047481.db2.gz ZNTDHLLKQILGSI-MNOVXSKESA-N -1 0 357.363 -0.965 20 0 FBADRM CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000817895658 661047393 /nfs/dbraw/zinc/04/73/93/661047393.db2.gz ZNTDHLLKQILGSI-QWRGUYRKSA-N -1 0 357.363 -0.965 20 0 FBADRM CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000817895660 661047414 /nfs/dbraw/zinc/04/74/14/661047414.db2.gz ZNTDHLLKQILGSI-WDEREUQCSA-N -1 0 357.363 -0.965 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCN(C2=NCC(C)(C)S2)CC1 ZINC000817896783 661047448 /nfs/dbraw/zinc/04/74/48/661047448.db2.gz TWORYCBCQYOHJM-UHFFFAOYSA-N -1 0 356.448 -0.055 20 0 FBADRM CC1(C)CN=C(N2CCN(C(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)CC2)S1 ZINC000817896853 661047387 /nfs/dbraw/zinc/04/73/87/661047387.db2.gz WXNNTUNPGPKXRA-LLVKDONJSA-N -1 0 368.459 -0.055 20 0 FBADRM CC1(C)CN=C(N2CCN(C(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)CC2)S1 ZINC000817896854 661047308 /nfs/dbraw/zinc/04/73/08/661047308.db2.gz WXNNTUNPGPKXRA-NSHDSACASA-N -1 0 368.459 -0.055 20 0 FBADRM CC(C)COC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000817897257 661047418 /nfs/dbraw/zinc/04/74/18/661047418.db2.gz IQEMSDVUXZXZOX-GFCCVEGCSA-N -1 0 355.391 -0.144 20 0 FBADRM CC(C)COC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC000817897258 661047511 /nfs/dbraw/zinc/04/75/11/661047511.db2.gz IQEMSDVUXZXZOX-LBPRGKRZSA-N -1 0 355.391 -0.144 20 0 FBADRM CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000817901370 661047537 /nfs/dbraw/zinc/04/75/37/661047537.db2.gz ZPYSDFIWQPBGPG-NEPJUHHUSA-N -1 0 362.448 -0.163 20 0 FBADRM CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000817901371 661047461 /nfs/dbraw/zinc/04/74/61/661047461.db2.gz ZPYSDFIWQPBGPG-NWDGAFQWSA-N -1 0 362.448 -0.163 20 0 FBADRM CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000817901372 661047362 /nfs/dbraw/zinc/04/73/62/661047362.db2.gz ZPYSDFIWQPBGPG-RYUDHWBXSA-N -1 0 362.448 -0.163 20 0 FBADRM CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000817901373 661047505 /nfs/dbraw/zinc/04/75/05/661047505.db2.gz ZPYSDFIWQPBGPG-VXGBXAGGSA-N -1 0 362.448 -0.163 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O)C1 ZINC000817901952 661047516 /nfs/dbraw/zinc/04/75/16/661047516.db2.gz FUOICXPSMRBUEC-GHMZBOCLSA-N -1 0 362.448 -0.163 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O)C1 ZINC000817901955 661047527 /nfs/dbraw/zinc/04/75/27/661047527.db2.gz FUOICXPSMRBUEC-MNOVXSKESA-N -1 0 362.448 -0.163 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O)C1 ZINC000817901958 661047520 /nfs/dbraw/zinc/04/75/20/661047520.db2.gz FUOICXPSMRBUEC-QWRGUYRKSA-N -1 0 362.448 -0.163 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O)C1 ZINC000817901960 661047485 /nfs/dbraw/zinc/04/74/85/661047485.db2.gz FUOICXPSMRBUEC-WDEREUQCSA-N -1 0 362.448 -0.163 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000817903704 661047400 /nfs/dbraw/zinc/04/74/00/661047400.db2.gz SQWJCUQQDMAIRE-NEPJUHHUSA-N -1 0 354.359 -0.136 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000817903707 661047331 /nfs/dbraw/zinc/04/73/31/661047331.db2.gz SQWJCUQQDMAIRE-NWDGAFQWSA-N -1 0 354.359 -0.136 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000817903710 661047455 /nfs/dbraw/zinc/04/74/55/661047455.db2.gz SQWJCUQQDMAIRE-RYUDHWBXSA-N -1 0 354.359 -0.136 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000817903711 661047568 /nfs/dbraw/zinc/04/75/68/661047568.db2.gz SQWJCUQQDMAIRE-VXGBXAGGSA-N -1 0 354.359 -0.136 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)C1 ZINC000817905972 661047442 /nfs/dbraw/zinc/04/74/42/661047442.db2.gz RNVPBRLXAGWYJY-KKOKHZNYSA-N -1 0 353.375 -0.488 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)C1 ZINC000817905974 661047563 /nfs/dbraw/zinc/04/75/63/661047563.db2.gz RNVPBRLXAGWYJY-KXNHARMFSA-N -1 0 353.375 -0.488 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)C1 ZINC000817905976 661047335 /nfs/dbraw/zinc/04/73/35/661047335.db2.gz RNVPBRLXAGWYJY-QCNOEVLYSA-N -1 0 353.375 -0.488 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)C1 ZINC000817905978 661047434 /nfs/dbraw/zinc/04/74/34/661047434.db2.gz RNVPBRLXAGWYJY-YFKTTZPYSA-N -1 0 353.375 -0.488 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CCC[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000817906487 601011858 /nfs/dbraw/zinc/01/18/58/601011858.db2.gz GYJQEJPKKMTBSO-JTQLQIEISA-N -1 0 352.391 -0.483 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CCC[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000817906490 600985478 /nfs/dbraw/zinc/98/54/78/600985478.db2.gz GYJQEJPKKMTBSO-SNVBAGLBSA-N -1 0 352.391 -0.483 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CC[C@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000817906634 597535386 /nfs/dbraw/zinc/53/53/86/597535386.db2.gz VVSIAQUMDQXEMR-JTQLQIEISA-N -1 0 352.391 -0.626 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CC[C@@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000817906636 597535327 /nfs/dbraw/zinc/53/53/27/597535327.db2.gz VVSIAQUMDQXEMR-SNVBAGLBSA-N -1 0 352.391 -0.626 20 0 FBADRM CN(C)C(=O)O[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000817906802 661047463 /nfs/dbraw/zinc/04/74/63/661047463.db2.gz HFLWWNMKTUGYHD-BDJLRTHQSA-N -1 0 355.391 -0.001 20 0 FBADRM CN(C)C(=O)O[C@@H]1CCCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000817906803 661047530 /nfs/dbraw/zinc/04/75/30/661047530.db2.gz HFLWWNMKTUGYHD-BZNIZROVSA-N -1 0 355.391 -0.001 20 0 FBADRM CN(C)C(=O)O[C@H]1CCCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000817906804 661047582 /nfs/dbraw/zinc/04/75/82/661047582.db2.gz HFLWWNMKTUGYHD-MEDUHNTESA-N -1 0 355.391 -0.001 20 0 FBADRM CN(C)C(=O)O[C@H]1CCCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000817906805 661047428 /nfs/dbraw/zinc/04/74/28/661047428.db2.gz HFLWWNMKTUGYHD-ZBEGNZNMSA-N -1 0 355.391 -0.001 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccnc(F)c3)CC2)C1 ZINC000817907585 661047730 /nfs/dbraw/zinc/04/77/30/661047730.db2.gz FLDUOZAXAZDTAH-LLVKDONJSA-N -1 0 350.350 -0.198 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccnc(F)c3)CC2)C1 ZINC000817907586 661047643 /nfs/dbraw/zinc/04/76/43/661047643.db2.gz FLDUOZAXAZDTAH-NSHDSACASA-N -1 0 350.350 -0.198 20 0 FBADRM COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC000817907634 661047696 /nfs/dbraw/zinc/04/76/96/661047696.db2.gz GURIXZDUWZZTEN-GFCCVEGCSA-N -1 0 354.281 -0.127 20 0 FBADRM COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C(=O)N(C)CCC(=O)[O-])C1 ZINC000817907635 661047834 /nfs/dbraw/zinc/04/78/34/661047834.db2.gz GURIXZDUWZZTEN-LBPRGKRZSA-N -1 0 354.281 -0.127 20 0 FBADRM COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000817907912 661047797 /nfs/dbraw/zinc/04/77/97/661047797.db2.gz JFUCDTJFKBJJCB-AMIZOPFISA-N -1 0 366.292 -0.127 20 0 FBADRM COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000817907919 661047624 /nfs/dbraw/zinc/04/76/24/661047624.db2.gz JFUCDTJFKBJJCB-ISVAXAHUSA-N -1 0 366.292 -0.127 20 0 FBADRM COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000817907922 661047703 /nfs/dbraw/zinc/04/77/03/661047703.db2.gz JFUCDTJFKBJJCB-OQPBUACISA-N -1 0 366.292 -0.127 20 0 FBADRM COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000817907924 661047802 /nfs/dbraw/zinc/04/78/02/661047802.db2.gz JFUCDTJFKBJJCB-SDBXPKJASA-N -1 0 366.292 -0.127 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc(F)n3)CC2)C1 ZINC000817907970 661047675 /nfs/dbraw/zinc/04/76/75/661047675.db2.gz KBLCXFBVVPDGDU-LLVKDONJSA-N -1 0 350.350 -0.198 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCN(c3cccc(F)n3)CC2)C1 ZINC000817907971 661047778 /nfs/dbraw/zinc/04/77/78/661047778.db2.gz KBLCXFBVVPDGDU-NSHDSACASA-N -1 0 350.350 -0.198 20 0 FBADRM CN(C)C(=O)O[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1 ZINC000817908116 661047657 /nfs/dbraw/zinc/04/76/57/661047657.db2.gz OQUXGYMOCYDSRE-NEPJUHHUSA-N -1 0 355.391 -0.001 20 0 FBADRM CN(C)C(=O)O[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC000817908117 661047787 /nfs/dbraw/zinc/04/77/87/661047787.db2.gz OQUXGYMOCYDSRE-NWDGAFQWSA-N -1 0 355.391 -0.001 20 0 FBADRM CN(C)C(=O)O[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC000817908118 661047747 /nfs/dbraw/zinc/04/77/47/661047747.db2.gz OQUXGYMOCYDSRE-RYUDHWBXSA-N -1 0 355.391 -0.001 20 0 FBADRM CN(C)C(=O)O[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1 ZINC000817908119 661047812 /nfs/dbraw/zinc/04/78/12/661047812.db2.gz OQUXGYMOCYDSRE-VXGBXAGGSA-N -1 0 355.391 -0.001 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@H](OC(=O)N(C)C)C2)C1 ZINC000817908301 661047638 /nfs/dbraw/zinc/04/76/38/661047638.db2.gz FCRNTAROIUZUCT-GRYCIOLGSA-N -1 0 355.391 -0.145 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@H](OC(=O)N(C)C)C2)C1 ZINC000817908305 661047762 /nfs/dbraw/zinc/04/77/62/661047762.db2.gz FCRNTAROIUZUCT-IJLUTSLNSA-N -1 0 355.391 -0.145 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@H](OC(=O)N(C)C)C2)C1 ZINC000817908306 661047692 /nfs/dbraw/zinc/04/76/92/661047692.db2.gz FCRNTAROIUZUCT-UTUOFQBUSA-N -1 0 355.391 -0.145 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@H](OC(=O)N(C)C)C2)C1 ZINC000817908307 661047773 /nfs/dbraw/zinc/04/77/73/661047773.db2.gz FCRNTAROIUZUCT-WOPDTQHZSA-N -1 0 355.391 -0.145 20 0 FBADRM CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000817914442 597519915 /nfs/dbraw/zinc/51/99/15/597519915.db2.gz HVXMMZGDOLVNRL-VIFPVBQESA-N -1 0 357.388 -0.099 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000817914496 601470108 /nfs/dbraw/zinc/47/01/08/601470108.db2.gz PNEMPXBLBMNLFI-UHFFFAOYSA-N -1 0 371.415 -0.304 20 0 FBADRM CC(C)[C@@H](NC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F)C(=O)[O-] ZINC000817926047 597220714 /nfs/dbraw/zinc/22/07/14/597220714.db2.gz GKQPYMVIDDUKHJ-LLVKDONJSA-N -1 0 350.310 -0.035 20 0 FBADRM CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)C(=O)[O-] ZINC000817926109 597218737 /nfs/dbraw/zinc/21/87/37/597218737.db2.gz NNLJQVINDYSINT-GFCCVEGCSA-N -1 0 364.358 -0.934 20 0 FBADRM CC(C)[C@@H](NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000817926111 597218283 /nfs/dbraw/zinc/21/82/83/597218283.db2.gz NTSVRAUFXFXMRA-SNVBAGLBSA-N -1 0 361.351 -0.363 20 0 FBADRM CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)C(=O)[O-] ZINC000817926115 597220778 /nfs/dbraw/zinc/22/07/78/597220778.db2.gz OGNYZZFJAPLCQH-GFCCVEGCSA-N -1 0 371.415 -0.100 20 0 FBADRM CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)[O-] ZINC000817926168 597218818 /nfs/dbraw/zinc/21/88/18/597218818.db2.gz VVIUFSYTVFKZDV-CYBMUJFWSA-N -1 0 363.374 -0.818 20 0 FBADRM CC(C)[C@@H](NC(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1)C(=O)[O-] ZINC000817926177 597218902 /nfs/dbraw/zinc/21/89/02/597218902.db2.gz XESGNUZXMRLXKR-SNVBAGLBSA-N -1 0 360.392 -0.908 20 0 FBADRM CC(C)[C@@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000817933303 597185510 /nfs/dbraw/zinc/18/55/10/597185510.db2.gz XPKNXSZVNCNSMX-BXKDBHETSA-N -1 0 359.404 -0.623 20 0 FBADRM CC(C)[C@@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000817933304 597185718 /nfs/dbraw/zinc/18/57/18/597185718.db2.gz XPKNXSZVNCNSMX-JOYOIKCWSA-N -1 0 359.404 -0.623 20 0 FBADRM CC(C)[C@@H](NC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)C(=O)[O-] ZINC000817937920 597189988 /nfs/dbraw/zinc/18/99/88/597189988.db2.gz HIJWHRVQHDEYQE-GFCCVEGCSA-N -1 0 371.371 -0.533 20 0 FBADRM COC[C@@H](C(N)=O)N(C)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000817941560 661048365 /nfs/dbraw/zinc/04/83/65/661048365.db2.gz WJEHMZWCQHDPLA-NSHDSACASA-N -1 0 350.400 -0.206 20 0 FBADRM COC[C@@H](C(N)=O)N(C)C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000817941606 661048495 /nfs/dbraw/zinc/04/84/95/661048495.db2.gz XSFYNPZRABSFKA-NSHDSACASA-N -1 0 350.400 -0.356 20 0 FBADRM CC(C)[C@@H](NC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C(=O)[O-] ZINC000817943132 597206847 /nfs/dbraw/zinc/20/68/47/597206847.db2.gz JDECSOIWNKAUGJ-CYBMUJFWSA-N -1 0 353.379 -0.027 20 0 FBADRM CC(C)[C@@H](NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C(=O)[O-] ZINC000817943656 597209365 /nfs/dbraw/zinc/20/93/65/597209365.db2.gz RKQSRATYCTZIHC-CYBMUJFWSA-N -1 0 353.379 -0.027 20 0 FBADRM CC(C)[C@H](NC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F)C(=O)[O-] ZINC000817951440 597037835 /nfs/dbraw/zinc/03/78/35/597037835.db2.gz GKQPYMVIDDUKHJ-NSHDSACASA-N -1 0 350.310 -0.035 20 0 FBADRM CC(C)[C@H](NC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)C(=O)[O-] ZINC000817956567 597038498 /nfs/dbraw/zinc/03/84/98/597038498.db2.gz NNLJQVINDYSINT-LBPRGKRZSA-N -1 0 364.358 -0.934 20 0 FBADRM CC(C)[C@H](NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000817956569 597036487 /nfs/dbraw/zinc/03/64/87/597036487.db2.gz NTSVRAUFXFXMRA-JTQLQIEISA-N -1 0 361.351 -0.363 20 0 FBADRM CC(C)[C@H](NC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)C(=O)[O-] ZINC000817956573 597038258 /nfs/dbraw/zinc/03/82/58/597038258.db2.gz OGNYZZFJAPLCQH-LBPRGKRZSA-N -1 0 371.415 -0.100 20 0 FBADRM CC(C)[C@H](NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)[O-] ZINC000817956624 597036439 /nfs/dbraw/zinc/03/64/39/597036439.db2.gz VVIUFSYTVFKZDV-ZDUSSCGKSA-N -1 0 363.374 -0.818 20 0 FBADRM CC(C)[C@H](NC(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1)C(=O)[O-] ZINC000817956635 597038251 /nfs/dbraw/zinc/03/82/51/597038251.db2.gz XESGNUZXMRLXKR-JTQLQIEISA-N -1 0 360.392 -0.908 20 0 FBADRM CC(C)[C@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000817961576 597023051 /nfs/dbraw/zinc/02/30/51/597023051.db2.gz XPKNXSZVNCNSMX-CABZTGNLSA-N -1 0 359.404 -0.623 20 0 FBADRM CC(C)[C@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000817961577 597022990 /nfs/dbraw/zinc/02/29/90/597022990.db2.gz XPKNXSZVNCNSMX-SKDRFNHKSA-N -1 0 359.404 -0.623 20 0 FBADRM CC(C)[C@H](NC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)C(=O)[O-] ZINC000817965297 597020890 /nfs/dbraw/zinc/02/08/90/597020890.db2.gz HIJWHRVQHDEYQE-LBPRGKRZSA-N -1 0 371.371 -0.533 20 0 FBADRM CC(C)[C@H](NC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C(=O)[O-] ZINC000817969191 597027821 /nfs/dbraw/zinc/02/78/21/597027821.db2.gz JDECSOIWNKAUGJ-ZDUSSCGKSA-N -1 0 353.379 -0.027 20 0 FBADRM CC(C)[C@H](NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C(=O)[O-] ZINC000817969792 597028763 /nfs/dbraw/zinc/02/87/63/597028763.db2.gz RKQSRATYCTZIHC-ZDUSSCGKSA-N -1 0 353.379 -0.027 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000818017731 597517795 /nfs/dbraw/zinc/51/77/95/597517795.db2.gz FHRWXKQJSHMUFL-NSHDSACASA-N -1 0 363.370 -0.384 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)C(=O)[O-] ZINC000818017795 597519283 /nfs/dbraw/zinc/51/92/83/597519283.db2.gz HYWMZVSRSNOXAC-QMMMGPOBSA-N -1 0 373.362 -0.107 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F)C(=O)[O-] ZINC000818017982 597516791 /nfs/dbraw/zinc/51/67/91/597516791.db2.gz IOCHUDPHQAWGJW-ZETCQYMHSA-N -1 0 361.351 -0.396 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000818018032 597516927 /nfs/dbraw/zinc/51/69/27/597516927.db2.gz JPXYZUQCQGMUAD-YFKPBYRVSA-N -1 0 350.299 -0.104 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1)C(=O)[O-] ZINC000818018049 597519910 /nfs/dbraw/zinc/51/99/10/597519910.db2.gz KDEBJAHUYWWAAK-VIFPVBQESA-N -1 0 369.399 -0.003 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1)C(=O)[O-] ZINC000818018087 597517194 /nfs/dbraw/zinc/51/71/94/597517194.db2.gz MPLWIHCOQBQZEK-JTQLQIEISA-N -1 0 362.386 -0.084 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1)C(=O)[O-] ZINC000818018088 597517229 /nfs/dbraw/zinc/51/72/29/597517229.db2.gz MPLWIHCOQBQZEK-SNVBAGLBSA-N -1 0 362.386 -0.084 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)C(=O)[O-] ZINC000818018400 597520192 /nfs/dbraw/zinc/52/01/92/597520192.db2.gz PTCGRPZIGWVNJL-ZETCQYMHSA-N -1 0 373.362 -0.206 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)C(=O)[O-] ZINC000818018750 597516236 /nfs/dbraw/zinc/51/62/36/597516236.db2.gz RNRSWQAHSUOADD-MRVPVSSYSA-N -1 0 368.777 -0.196 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)C(=O)[O-] ZINC000818018752 597516220 /nfs/dbraw/zinc/51/62/20/597516220.db2.gz RNRSWQAHSUOADD-QMMMGPOBSA-N -1 0 368.777 -0.196 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)[O-] ZINC000818018897 597516842 /nfs/dbraw/zinc/51/68/42/597516842.db2.gz UVKGYSHHEHSBDH-VIFPVBQESA-N -1 0 355.372 -0.246 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1)C(=O)[O-] ZINC000818019100 597516871 /nfs/dbraw/zinc/51/68/71/597516871.db2.gz XPQLZYXPAZNLLB-LLVKDONJSA-N -1 0 362.386 -0.398 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1)C(=O)[O-] ZINC000818019108 597516805 /nfs/dbraw/zinc/51/68/05/597516805.db2.gz XPQLZYXPAZNLLB-NSHDSACASA-N -1 0 362.386 -0.398 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)[O-] ZINC000818019182 597518747 /nfs/dbraw/zinc/51/87/47/597518747.db2.gz YQVBTWFFHLSXRH-JTQLQIEISA-N -1 0 369.399 -0.001 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)C(=O)[O-] ZINC000818019184 597517431 /nfs/dbraw/zinc/51/74/31/597517431.db2.gz YSLFUSWLXGFCKK-QMMMGPOBSA-N -1 0 373.362 -0.107 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)[O-] ZINC000818021968 597516184 /nfs/dbraw/zinc/51/61/84/597516184.db2.gz ABZRNMFZQUYRET-JTQLQIEISA-N -1 0 369.399 -0.001 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1)C(=O)[O-] ZINC000818021975 597516800 /nfs/dbraw/zinc/51/68/00/597516800.db2.gz AOXVZGMTFMVJOC-SECBINFHSA-N -1 0 358.372 -0.362 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1)C(=O)[O-] ZINC000818021976 597516823 /nfs/dbraw/zinc/51/68/23/597516823.db2.gz AOXVZGMTFMVJOC-VIFPVBQESA-N -1 0 358.372 -0.362 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)C(=O)[O-] ZINC000818022031 597325040 /nfs/dbraw/zinc/32/50/40/597325040.db2.gz BYVQHOPNVDTORY-VIFPVBQESA-N -1 0 351.363 -0.530 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1)C(=O)[O-] ZINC000818022179 597516819 /nfs/dbraw/zinc/51/68/19/597516819.db2.gz DNEKHIYJFKKYLO-VIFPVBQESA-N -1 0 355.372 -0.246 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1)C(=O)[O-] ZINC000818022652 597517936 /nfs/dbraw/zinc/51/79/36/597517936.db2.gz LJHSNALFODWSCS-QMMMGPOBSA-N -1 0 355.372 -0.345 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)C(=O)[O-] ZINC000818023080 597516858 /nfs/dbraw/zinc/51/68/58/597516858.db2.gz TWEKJNMFMAKSGO-JTQLQIEISA-N -1 0 369.399 -0.551 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)C(=O)[O-] ZINC000818023127 597516792 /nfs/dbraw/zinc/51/67/92/597516792.db2.gz TWEKJNMFMAKSGO-SNVBAGLBSA-N -1 0 369.399 -0.551 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1)C(=O)[O-] ZINC000818023331 597518628 /nfs/dbraw/zinc/51/86/28/597518628.db2.gz WIAZXNNVCYDDNX-LLVKDONJSA-N -1 0 362.386 -0.398 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1)C(=O)[O-] ZINC000818023334 597518733 /nfs/dbraw/zinc/51/87/33/597518733.db2.gz WIAZXNNVCYDDNX-NSHDSACASA-N -1 0 362.386 -0.398 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1)C(=O)[O-] ZINC000818023357 597515391 /nfs/dbraw/zinc/51/53/91/597515391.db2.gz WWRBIATVRTVZKA-JTQLQIEISA-N -1 0 362.386 -0.084 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1)C(=O)[O-] ZINC000818023359 597515432 /nfs/dbraw/zinc/51/54/32/597515432.db2.gz WWRBIATVRTVZKA-SNVBAGLBSA-N -1 0 362.386 -0.084 20 0 FBADRM C[C@@H](NC(=O)CNC(=O)CN1CCO[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000818025454 600997075 /nfs/dbraw/zinc/99/70/75/600997075.db2.gz HNWZYVCDNQDEOZ-BXUZGUMPSA-N -1 0 367.377 -0.096 20 0 FBADRM C[C@H](NC(=O)CNC(=O)CN1CCO[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000818025455 600997199 /nfs/dbraw/zinc/99/71/99/600997199.db2.gz HNWZYVCDNQDEOZ-FZMZJTMJSA-N -1 0 367.377 -0.096 20 0 FBADRM C[C@@H](NC(=O)CNC(=O)CN1CCO[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000818025456 600997119 /nfs/dbraw/zinc/99/71/19/600997119.db2.gz HNWZYVCDNQDEOZ-RISCZKNCSA-N -1 0 367.377 -0.096 20 0 FBADRM C[C@H](NC(=O)CNC(=O)CN1CCO[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000818025457 600997038 /nfs/dbraw/zinc/99/70/38/600997038.db2.gz HNWZYVCDNQDEOZ-SMDDNHRTSA-N -1 0 367.377 -0.096 20 0 FBADRM C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(=O)N(C)C ZINC000818025652 597293657 /nfs/dbraw/zinc/29/36/57/597293657.db2.gz RFBYMRLLRKESSD-JTQLQIEISA-N -1 0 356.400 -0.108 20 0 FBADRM C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(=O)N(C)C ZINC000818025653 597294106 /nfs/dbraw/zinc/29/41/06/597294106.db2.gz RFBYMRLLRKESSD-SNVBAGLBSA-N -1 0 356.400 -0.108 20 0 FBADRM C[C@H](NC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)C(=O)[O-] ZINC000818033719 597319798 /nfs/dbraw/zinc/31/97/98/597319798.db2.gz IKMPMIVZNZMMGP-JTQLQIEISA-N -1 0 371.419 -0.242 20 0 FBADRM C[C@@H](NC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)C(=O)[O-] ZINC000818033722 597206929 /nfs/dbraw/zinc/20/69/29/597206929.db2.gz IKMPMIVZNZMMGP-SNVBAGLBSA-N -1 0 371.419 -0.242 20 0 FBADRM CC1(C)C[C@@]2(NC(=O)N(CN3CCO[C@@H](C(=O)[O-])C3)C2=O)C(C)(C)O1 ZINC000818075794 602191925 /nfs/dbraw/zinc/19/19/25/602191925.db2.gz NCIIHDLRZIDAIS-HWPZZCPQSA-N -1 0 355.391 -0.003 20 0 FBADRM CC1(C)C[C@]2(NC(=O)N(CN3CCO[C@H](C(=O)[O-])C3)C2=O)C(C)(C)O1 ZINC000818075795 602192023 /nfs/dbraw/zinc/19/20/23/602192023.db2.gz NCIIHDLRZIDAIS-MGPLVRAMSA-N -1 0 355.391 -0.003 20 0 FBADRM CC1(C)C[C@@]2(NC(=O)N(CN3CCO[C@H](C(=O)[O-])C3)C2=O)C(C)(C)O1 ZINC000818075796 602192014 /nfs/dbraw/zinc/19/20/14/602192014.db2.gz NCIIHDLRZIDAIS-QFYYESIMSA-N -1 0 355.391 -0.003 20 0 FBADRM CC1(C)C[C@]2(NC(=O)N(CN3CCO[C@@H](C(=O)[O-])C3)C2=O)C(C)(C)O1 ZINC000818075797 602192197 /nfs/dbraw/zinc/19/21/97/602192197.db2.gz NCIIHDLRZIDAIS-QLJPJBMISA-N -1 0 355.391 -0.003 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)C(=O)N1c1cnn(C)c1 ZINC000818090126 600761339 /nfs/dbraw/zinc/76/13/39/600761339.db2.gz RTXYURBWJKQEKJ-ADEWGFFLSA-N -1 0 351.363 -0.591 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)C(=O)N1c1cnn(C)c1 ZINC000818090127 600761225 /nfs/dbraw/zinc/76/12/25/600761225.db2.gz RTXYURBWJKQEKJ-JLLWLGSASA-N -1 0 351.363 -0.591 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)C(=O)N1c1cnn(C)c1 ZINC000818090128 600761307 /nfs/dbraw/zinc/76/13/07/600761307.db2.gz RTXYURBWJKQEKJ-USWWRNFRSA-N -1 0 351.363 -0.591 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)C(=O)N1c1cnn(C)c1 ZINC000818090129 600761192 /nfs/dbraw/zinc/76/11/92/600761192.db2.gz RTXYURBWJKQEKJ-YUSALJHKSA-N -1 0 351.363 -0.591 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CC[C@H](C(=O)[O-])C1)C2=O ZINC000818097252 661051162 /nfs/dbraw/zinc/05/11/62/661051162.db2.gz KHCDGGWDUVLCFR-CSJGVYOVSA-N -1 0 352.391 -0.075 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CC[C@@H](C(=O)[O-])C1)C2=O ZINC000818097253 661051375 /nfs/dbraw/zinc/05/13/75/661051375.db2.gz KHCDGGWDUVLCFR-NOEPWBJOSA-N -1 0 352.391 -0.075 20 0 FBADRM C[C@H]1CN(C(=O)CSCC(=O)[O-])CCN1c1nccn2cnnc12 ZINC000818106760 597278878 /nfs/dbraw/zinc/27/88/78/597278878.db2.gz GQRQDONXHDTBAA-JTQLQIEISA-N -1 0 350.404 -0.021 20 0 FBADRM C[C@@H]1CN(C(=O)CSCC(=O)[O-])CCN1c1nccn2cnnc12 ZINC000818106761 597278846 /nfs/dbraw/zinc/27/88/46/597278846.db2.gz GQRQDONXHDTBAA-SNVBAGLBSA-N -1 0 350.404 -0.021 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CCS1(=O)=O ZINC000818107061 601473232 /nfs/dbraw/zinc/47/32/32/601473232.db2.gz SZOQDSGDSZMYQK-JTQLQIEISA-N -1 0 354.384 -0.102 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CCS1(=O)=O ZINC000818107062 601473328 /nfs/dbraw/zinc/47/33/28/601473328.db2.gz SZOQDSGDSZMYQK-SNVBAGLBSA-N -1 0 354.384 -0.102 20 0 FBADRM NS(=O)(=O)CCCCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000818131948 661053866 /nfs/dbraw/zinc/05/38/66/661053866.db2.gz KPQQPKSFHMXENX-UHFFFAOYSA-N -1 0 370.456 -0.130 20 0 FBADRM CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000818136545 597212270 /nfs/dbraw/zinc/21/22/70/597212270.db2.gz YYZNKPHNMHEBSF-SECBINFHSA-N -1 0 357.388 -0.097 20 0 FBADRM CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000818136546 597212275 /nfs/dbraw/zinc/21/22/75/597212275.db2.gz YYZNKPHNMHEBSF-VIFPVBQESA-N -1 0 357.388 -0.097 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000818149285 604511616 /nfs/dbraw/zinc/51/16/16/604511616.db2.gz VNJCQPSZXSJVSS-GRYCIOLGSA-N -1 0 363.436 -0.459 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000818149286 604511500 /nfs/dbraw/zinc/51/15/00/604511500.db2.gz VNJCQPSZXSJVSS-IJLUTSLNSA-N -1 0 363.436 -0.459 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000818149287 604511629 /nfs/dbraw/zinc/51/16/29/604511629.db2.gz VNJCQPSZXSJVSS-UTUOFQBUSA-N -1 0 363.436 -0.459 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000818149288 604511595 /nfs/dbraw/zinc/51/15/95/604511595.db2.gz VNJCQPSZXSJVSS-WOPDTQHZSA-N -1 0 363.436 -0.459 20 0 FBADRM CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000818176335 601338608 /nfs/dbraw/zinc/33/86/08/601338608.db2.gz LILRODUNLMUPAY-UHFFFAOYSA-N -1 0 357.388 -0.096 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC000818197430 597305291 /nfs/dbraw/zinc/30/52/91/597305291.db2.gz TYHADUXBNMSRQZ-UHFFFAOYSA-N -1 0 350.441 -0.235 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818213511 601471329 /nfs/dbraw/zinc/47/13/29/601471329.db2.gz MBCRFMJTXZCXDL-UHFFFAOYSA-N -1 0 357.388 -0.692 20 0 FBADRM CCNS(=O)(=O)c1ccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000818217363 602145058 /nfs/dbraw/zinc/14/50/58/602145058.db2.gz VLXFEHXUVKDKJT-CYBMUJFWSA-N -1 0 371.415 -0.020 20 0 FBADRM CCNS(=O)(=O)c1ccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000818217365 602145028 /nfs/dbraw/zinc/14/50/28/602145028.db2.gz VLXFEHXUVKDKJT-ZDUSSCGKSA-N -1 0 371.415 -0.020 20 0 FBADRM CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCC(=O)[O-])CC2 ZINC000818217367 600897472 /nfs/dbraw/zinc/89/74/72/600897472.db2.gz VNBYVAZZNCDALJ-UHFFFAOYSA-N -1 0 369.399 -0.535 20 0 FBADRM CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC(=O)[O-])CC2 ZINC000818217489 597251164 /nfs/dbraw/zinc/25/11/64/597251164.db2.gz YUZGKRZDUQXWHQ-UHFFFAOYSA-N -1 0 355.372 -0.925 20 0 FBADRM CCOC(=O)c1cc(NC(=O)C(=O)NCC(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000818224392 596938259 /nfs/dbraw/zinc/93/82/59/596938259.db2.gz JDDLJDFWQIMQHH-UHFFFAOYSA-N -1 0 372.355 -0.594 20 0 FBADRM CCOC(=O)c1sc(NC(=O)CN2C[C@@H](O)[C@@H](O)C2)c(C(=O)[O-])c1C ZINC000818229360 596917446 /nfs/dbraw/zinc/91/74/46/596917446.db2.gz MEGPBLXZYYICCV-DTORHVGOSA-N -1 0 372.399 -0.093 20 0 FBADRM CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1OC ZINC000818255683 597520379 /nfs/dbraw/zinc/52/03/79/597520379.db2.gz IQIXBFIQKTZQGB-QMMMGPOBSA-N -1 0 373.387 -0.015 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818255685 597345774 /nfs/dbraw/zinc/34/57/74/597345774.db2.gz IQQCZZKLLYDEGX-UHFFFAOYSA-N -1 0 357.388 -0.692 20 0 FBADRM COCCn1c(=O)cc([O-])nc1SCc1cc(=O)n(C)c(=O)n1C ZINC000818260120 661056738 /nfs/dbraw/zinc/05/67/38/661056738.db2.gz RVWGCNGJVAUROO-UHFFFAOYSA-N -1 0 354.388 -0.715 20 0 FBADRM CC[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1)C(=O)[O-] ZINC000818266546 597222511 /nfs/dbraw/zinc/22/25/11/597222511.db2.gz AYBLYRXCMIZHBH-LLVKDONJSA-N -1 0 373.387 -0.214 20 0 FBADRM CC[C@@H](NC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)C(=O)[O-] ZINC000818285839 601749955 /nfs/dbraw/zinc/74/99/55/601749955.db2.gz YZZMJWKPUHWHHY-MRVPVSSYSA-N -1 0 357.344 -0.779 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000818308527 661057625 /nfs/dbraw/zinc/05/76/25/661057625.db2.gz AKUWTBBYOMMZRP-HNNXBMFYSA-N -1 0 369.399 -0.424 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000818308528 661057655 /nfs/dbraw/zinc/05/76/55/661057655.db2.gz AKUWTBBYOMMZRP-OAHLLOKOSA-N -1 0 369.399 -0.424 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000818308729 661057614 /nfs/dbraw/zinc/05/76/14/661057614.db2.gz CSBNWKWUSAGJBY-JFDDCEBESA-N -1 0 351.359 -0.811 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000818308730 661057630 /nfs/dbraw/zinc/05/76/30/661057630.db2.gz CSBNWKWUSAGJBY-KJPDOMRESA-N -1 0 351.359 -0.811 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000818308731 661057669 /nfs/dbraw/zinc/05/76/69/661057669.db2.gz CSBNWKWUSAGJBY-OGZRUICASA-N -1 0 351.359 -0.811 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000818308732 661057633 /nfs/dbraw/zinc/05/76/33/661057633.db2.gz CSBNWKWUSAGJBY-SQRWCISFSA-N -1 0 351.359 -0.811 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@@]1(COC)C(=O)[O-] ZINC000818310323 661057578 /nfs/dbraw/zinc/05/75/78/661057578.db2.gz HTRPSBLISWXXKQ-CYBMUJFWSA-N -1 0 352.409 -0.966 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@]1(COC)C(=O)[O-] ZINC000818310325 661057645 /nfs/dbraw/zinc/05/76/45/661057645.db2.gz HTRPSBLISWXXKQ-ZDUSSCGKSA-N -1 0 352.409 -0.966 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)CNS(=O)(=O)c1cn(C)c(C)n1 ZINC000818311631 661057598 /nfs/dbraw/zinc/05/75/98/661057598.db2.gz PGSOGBHZUZZERP-AWEZNQCLSA-N -1 0 374.419 -0.901 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)CNS(=O)(=O)c1cn(C)c(C)n1 ZINC000818311637 661057678 /nfs/dbraw/zinc/05/76/78/661057678.db2.gz PGSOGBHZUZZERP-CQSZACIVSA-N -1 0 374.419 -0.901 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@]2(COC)C(=O)[O-])cn1 ZINC000818312189 661057675 /nfs/dbraw/zinc/05/76/75/661057675.db2.gz QWCKJZCNAWJMBI-AWEZNQCLSA-N -1 0 357.388 -0.305 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@]2(COC)C(=O)[O-])cn1 ZINC000818312190 661057667 /nfs/dbraw/zinc/05/76/67/661057667.db2.gz QWCKJZCNAWJMBI-CQSZACIVSA-N -1 0 357.388 -0.305 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000818312447 661057662 /nfs/dbraw/zinc/05/76/62/661057662.db2.gz SBIQJGIUDIAIAM-HNNXBMFYSA-N -1 0 356.400 -0.031 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000818312449 661057672 /nfs/dbraw/zinc/05/76/72/661057672.db2.gz SBIQJGIUDIAIAM-OAHLLOKOSA-N -1 0 356.400 -0.031 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000818314187 661057687 /nfs/dbraw/zinc/05/76/87/661057687.db2.gz VNBZVRFDCHGQAB-GWCFXTLKSA-N -1 0 351.446 -0.001 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000818314188 661057572 /nfs/dbraw/zinc/05/75/72/661057572.db2.gz VNBZVRFDCHGQAB-GXFFZTMASA-N -1 0 351.446 -0.001 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000818314189 661057925 /nfs/dbraw/zinc/05/79/25/661057925.db2.gz VNBZVRFDCHGQAB-MFKMUULPSA-N -1 0 351.446 -0.001 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000818314190 661057890 /nfs/dbraw/zinc/05/78/90/661057890.db2.gz VNBZVRFDCHGQAB-ZWNOBZJWSA-N -1 0 351.446 -0.001 20 0 FBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818315308 661057848 /nfs/dbraw/zinc/05/78/48/661057848.db2.gz DPWXMYGOAWQNDX-GXSJLCMTSA-N -1 0 373.435 -0.286 20 0 FBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818315313 661057931 /nfs/dbraw/zinc/05/79/31/661057931.db2.gz DPWXMYGOAWQNDX-KOLCDFICSA-N -1 0 373.435 -0.286 20 0 FBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818315315 661057781 /nfs/dbraw/zinc/05/77/81/661057781.db2.gz DPWXMYGOAWQNDX-MWLCHTKSSA-N -1 0 373.435 -0.286 20 0 FBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818315317 661057944 /nfs/dbraw/zinc/05/79/44/661057944.db2.gz DPWXMYGOAWQNDX-ONGXEEELSA-N -1 0 373.435 -0.286 20 0 FBADRM CCCCS(=O)(=O)NCC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818317216 661057862 /nfs/dbraw/zinc/05/78/62/661057862.db2.gz XDQBPHOPNUENKZ-JTQLQIEISA-N -1 0 359.408 -0.531 20 0 FBADRM CCCCS(=O)(=O)NCC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818317217 661057946 /nfs/dbraw/zinc/05/79/46/661057946.db2.gz XDQBPHOPNUENKZ-SNVBAGLBSA-N -1 0 359.408 -0.531 20 0 FBADRM CC(C)(C)NS(=O)(=O)CC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818318418 661057776 /nfs/dbraw/zinc/05/77/76/661057776.db2.gz RZDZUVFMMNUFPD-SECBINFHSA-N -1 0 359.408 -0.532 20 0 FBADRM CC(C)(C)NS(=O)(=O)CC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818318420 661057829 /nfs/dbraw/zinc/05/78/29/661057829.db2.gz RZDZUVFMMNUFPD-VIFPVBQESA-N -1 0 359.408 -0.532 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818318649 661057852 /nfs/dbraw/zinc/05/78/52/661057852.db2.gz VCZNCRJGGIQJQH-JTQLQIEISA-N -1 0 359.408 -0.579 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818318650 661057868 /nfs/dbraw/zinc/05/78/68/661057868.db2.gz VCZNCRJGGIQJQH-SNVBAGLBSA-N -1 0 359.408 -0.579 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818318787 661057959 /nfs/dbraw/zinc/05/79/59/661057959.db2.gz ARCMOVJSXLWTMC-CMPLNLGQSA-N -1 0 371.419 -0.436 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818318788 661057801 /nfs/dbraw/zinc/05/78/01/661057801.db2.gz ARCMOVJSXLWTMC-JQWIXIFHSA-N -1 0 371.419 -0.436 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818318789 661057886 /nfs/dbraw/zinc/05/78/86/661057886.db2.gz ARCMOVJSXLWTMC-PWSUYJOCSA-N -1 0 371.419 -0.436 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818318790 661057913 /nfs/dbraw/zinc/05/79/13/661057913.db2.gz ARCMOVJSXLWTMC-ZYHUDNBSSA-N -1 0 371.419 -0.436 20 0 FBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818319979 661057843 /nfs/dbraw/zinc/05/78/43/661057843.db2.gz MZTGAECMWCARLR-GXSJLCMTSA-N -1 0 359.408 -0.677 20 0 FBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818319980 661057794 /nfs/dbraw/zinc/05/77/94/661057794.db2.gz MZTGAECMWCARLR-KOLCDFICSA-N -1 0 359.408 -0.677 20 0 FBADRM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818319981 661057888 /nfs/dbraw/zinc/05/78/88/661057888.db2.gz MZTGAECMWCARLR-MWLCHTKSSA-N -1 0 359.408 -0.677 20 0 FBADRM CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818319982 661057945 /nfs/dbraw/zinc/05/79/45/661057945.db2.gz MZTGAECMWCARLR-ONGXEEELSA-N -1 0 359.408 -0.677 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818321365 661057921 /nfs/dbraw/zinc/05/79/21/661057921.db2.gz WEGAGKIRBREFMW-GXSJLCMTSA-N -1 0 357.392 -0.826 20 0 FBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818321367 661057857 /nfs/dbraw/zinc/05/78/57/661057857.db2.gz WEGAGKIRBREFMW-KOLCDFICSA-N -1 0 357.392 -0.826 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818321368 661057928 /nfs/dbraw/zinc/05/79/28/661057928.db2.gz WEGAGKIRBREFMW-MWLCHTKSSA-N -1 0 357.392 -0.826 20 0 FBADRM CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818321369 661057759 /nfs/dbraw/zinc/05/77/59/661057759.db2.gz WEGAGKIRBREFMW-ONGXEEELSA-N -1 0 357.392 -0.826 20 0 FBADRM CN(C(=O)C(=O)Nc1ccccc1CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000818363614 597347203 /nfs/dbraw/zinc/34/72/03/597347203.db2.gz KZDDZANKYCTCPJ-LLVKDONJSA-N -1 0 354.384 -0.102 20 0 FBADRM CN(C(=O)C(=O)Nc1ccccc1CC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000818363618 597346953 /nfs/dbraw/zinc/34/69/53/597346953.db2.gz KZDDZANKYCTCPJ-NSHDSACASA-N -1 0 354.384 -0.102 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)cn1 ZINC000818368527 601759904 /nfs/dbraw/zinc/75/99/04/601759904.db2.gz BSAMBGXEHAXYNH-UHFFFAOYSA-N -1 0 373.369 -0.076 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC000818368561 596974177 /nfs/dbraw/zinc/97/41/77/596974177.db2.gz DAYSMHMSEVIMGD-UHFFFAOYSA-N -1 0 351.363 -0.767 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)n1 ZINC000818368625 601628783 /nfs/dbraw/zinc/62/87/83/601628783.db2.gz HPXCZHDEWOIEOJ-UHFFFAOYSA-N -1 0 373.369 -0.076 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)cn1 ZINC000818368915 597111522 /nfs/dbraw/zinc/11/15/22/597111522.db2.gz OEXRLZNGOYYKBJ-LLVKDONJSA-N -1 0 365.390 -0.377 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cn1 ZINC000818368917 597111465 /nfs/dbraw/zinc/11/14/65/597111465.db2.gz OEXRLZNGOYYKBJ-NSHDSACASA-N -1 0 365.390 -0.377 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)n1 ZINC000818369079 597113335 /nfs/dbraw/zinc/11/33/35/597113335.db2.gz UZFGKUVKFNBXES-LLVKDONJSA-N -1 0 365.390 -0.377 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)n1 ZINC000818369080 597113313 /nfs/dbraw/zinc/11/33/13/597113313.db2.gz UZFGKUVKFNBXES-NSHDSACASA-N -1 0 365.390 -0.377 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC000818369097 596960086 /nfs/dbraw/zinc/96/00/86/596960086.db2.gz VWVBZKDKIOZHOR-UHFFFAOYSA-N -1 0 351.363 -0.767 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1F ZINC000818375181 601733974 /nfs/dbraw/zinc/73/39/74/601733974.db2.gz WWHBWHGCOUIMHW-GFCCVEGCSA-N -1 0 367.333 -0.222 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1F ZINC000818375185 601734252 /nfs/dbraw/zinc/73/42/52/601734252.db2.gz WWHBWHGCOUIMHW-LBPRGKRZSA-N -1 0 367.333 -0.222 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccn1 ZINC000818375191 596960111 /nfs/dbraw/zinc/96/01/11/596960111.db2.gz XAJNEYWSYGXDFE-LLVKDONJSA-N -1 0 350.331 -0.966 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)ccn1 ZINC000818375193 596960372 /nfs/dbraw/zinc/96/03/72/596960372.db2.gz XAJNEYWSYGXDFE-NSHDSACASA-N -1 0 350.331 -0.966 20 0 FBADRM C[NH+](C)CCN(CC(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000818378409 596930260 /nfs/dbraw/zinc/93/02/60/596930260.db2.gz UGVPALHOONVRJO-UHFFFAOYSA-N -1 0 371.375 -0.927 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NCCC(=O)[O-])c1 ZINC000818385808 601338764 /nfs/dbraw/zinc/33/87/64/601338764.db2.gz UHIRBBPEPAQAEG-UHFFFAOYSA-N -1 0 361.351 -0.395 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000818385889 597522420 /nfs/dbraw/zinc/52/24/20/597522420.db2.gz WWPYZCPURRUQDD-JTQLQIEISA-N -1 0 369.399 -0.192 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000818385890 597522357 /nfs/dbraw/zinc/52/23/57/597522357.db2.gz WWPYZCPURRUQDD-SNVBAGLBSA-N -1 0 369.399 -0.192 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)OCc2cn(CC(=O)[O-])nn2)cc1 ZINC000818385901 597123923 /nfs/dbraw/zinc/12/39/23/597123923.db2.gz XRLJTHPBYNAOHY-UHFFFAOYSA-N -1 0 368.371 -0.030 20 0 FBADRM CN(CCC(=O)[O-])C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000818429000 596993156 /nfs/dbraw/zinc/99/31/56/596993156.db2.gz DZWFSQVSKRVAKJ-UHFFFAOYSA-N -1 0 364.406 -0.369 20 0 FBADRM CN(CCC(=O)[O-])C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000818429132 597003273 /nfs/dbraw/zinc/00/32/73/597003273.db2.gz QHBYUMRENUNRJF-UHFFFAOYSA-N -1 0 373.435 -0.311 20 0 FBADRM Cn1cc(C(=O)[O-])c([C@@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)n1 ZINC000818431195 661058417 /nfs/dbraw/zinc/05/84/17/661058417.db2.gz ZNCADOQGERTTED-LLVKDONJSA-N -1 0 358.420 -0.125 20 0 FBADRM Cn1cc(C(=O)[O-])c([C@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)n1 ZINC000818431196 661058697 /nfs/dbraw/zinc/05/86/97/661058697.db2.gz ZNCADOQGERTTED-NSHDSACASA-N -1 0 358.420 -0.125 20 0 FBADRM CN(CCC(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000818432167 661058559 /nfs/dbraw/zinc/05/85/59/661058559.db2.gz DZLMTLBAYDQIGS-LLVKDONJSA-N -1 0 351.425 -0.409 20 0 FBADRM CN(CCC(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000818432169 661058629 /nfs/dbraw/zinc/05/86/29/661058629.db2.gz DZLMTLBAYDQIGS-NSHDSACASA-N -1 0 351.425 -0.409 20 0 FBADRM CN(CCC(=O)[O-])C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000818432240 596995674 /nfs/dbraw/zinc/99/56/74/596995674.db2.gz JRYVCFKMZINRJF-UHFFFAOYSA-N -1 0 373.431 -0.085 20 0 FBADRM CN(CCC(=O)[O-])C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000818432248 596990266 /nfs/dbraw/zinc/99/02/66/596990266.db2.gz KAKKAUQCAUKDAF-UHFFFAOYSA-N -1 0 362.386 -0.125 20 0 FBADRM CN(CCC(=O)[O-])CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000818462947 596998609 /nfs/dbraw/zinc/99/86/09/596998609.db2.gz DBXOUQMWNQMCQF-UHFFFAOYSA-N -1 0 374.397 -0.233 20 0 FBADRM CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NCCC(=O)[O-] ZINC000818469934 597291577 /nfs/dbraw/zinc/29/15/77/597291577.db2.gz NWNBTFXDPNQIHC-UHFFFAOYSA-N -1 0 359.404 -0.427 20 0 FBADRM CN(c1ccccc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000818475476 601945170 /nfs/dbraw/zinc/94/51/70/601945170.db2.gz IYXVQSYOBGDYKK-JTQLQIEISA-N -1 0 369.399 -0.046 20 0 FBADRM CN(c1ccccc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)S(C)(=O)=O ZINC000818475477 601945131 /nfs/dbraw/zinc/94/51/31/601945131.db2.gz IYXVQSYOBGDYKK-SNVBAGLBSA-N -1 0 369.399 -0.046 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N(CC(=O)[O-])c2ccc3c(c2)OCO3)C1=O ZINC000818475708 597440096 /nfs/dbraw/zinc/44/00/96/597440096.db2.gz QKIUOYWPRZPTLE-UHFFFAOYSA-N -1 0 363.282 -0.747 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1=O ZINC000818478099 601780357 /nfs/dbraw/zinc/78/03/57/601780357.db2.gz ATEIOOMNHJCWNI-FCHSOHFDSA-N -1 0 354.363 -0.798 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCO[C@H](C(=O)[O-])C2)C1=O ZINC000818478101 601780314 /nfs/dbraw/zinc/78/03/14/601780314.db2.gz ATEIOOMNHJCWNI-FTGAXOIBSA-N -1 0 354.363 -0.798 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1=O ZINC000818478103 601780435 /nfs/dbraw/zinc/78/04/35/601780435.db2.gz ATEIOOMNHJCWNI-WMFXKJRFSA-N -1 0 354.363 -0.798 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CCO[C@H](C(=O)[O-])C2)C1=O ZINC000818478106 601780323 /nfs/dbraw/zinc/78/03/23/601780323.db2.gz ATEIOOMNHJCWNI-YHAQOWFVSA-N -1 0 354.363 -0.798 20 0 FBADRM CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NCC(=O)[O-])C1=O ZINC000818478259 597015791 /nfs/dbraw/zinc/01/57/91/597015791.db2.gz JDSKZIKBAOHOEC-UHFFFAOYSA-N -1 0 363.330 -0.614 20 0 FBADRM CN1C(=O)COc2ccc(NC(=O)C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc21 ZINC000818478447 600886893 /nfs/dbraw/zinc/88/68/93/600886893.db2.gz LZXOBOIUDYNANM-GFCCVEGCSA-N -1 0 363.326 -0.708 20 0 FBADRM CN1C(=O)COc2ccc(NC(=O)C(=O)N3CCO[C@H](C(=O)[O-])C3)cc21 ZINC000818478452 600886794 /nfs/dbraw/zinc/88/67/94/600886794.db2.gz LZXOBOIUDYNANM-LBPRGKRZSA-N -1 0 363.326 -0.708 20 0 FBADRM CN1CC(=O)N(c2cccc(NC(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)c2)C1=O ZINC000818478724 597523706 /nfs/dbraw/zinc/52/37/06/597523706.db2.gz WCGDNMRRIPTKGB-JTQLQIEISA-N -1 0 374.353 -0.043 20 0 FBADRM CN1CC(=O)N(c2cccc(NC(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)c2)C1=O ZINC000818478725 597523728 /nfs/dbraw/zinc/52/37/28/597523728.db2.gz WCGDNMRRIPTKGB-SNVBAGLBSA-N -1 0 374.353 -0.043 20 0 FBADRM CN1CCc2ccc(NC(=O)C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2C1=O ZINC000818482251 602241500 /nfs/dbraw/zinc/24/15/00/602241500.db2.gz MUOUECQKNFEMOE-CYBMUJFWSA-N -1 0 361.354 -0.435 20 0 FBADRM CN1CCc2ccc(NC(=O)C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2C1=O ZINC000818482254 602241483 /nfs/dbraw/zinc/24/14/83/602241483.db2.gz MUOUECQKNFEMOE-ZDUSSCGKSA-N -1 0 361.354 -0.435 20 0 FBADRM CN1CCN(S(=O)(=O)c2cccc(NC(=O)NCC(=O)[O-])c2)CC1 ZINC000818482340 597491541 /nfs/dbraw/zinc/49/15/41/597491541.db2.gz OCOJUOFQWOQNIJ-UHFFFAOYSA-N -1 0 356.404 -0.171 20 0 FBADRM CN1CCN(S(=O)(=O)c2ccc(N3CC[C@@H](C(=O)[O-])C3)nc2)CC1 ZINC000818482388 596901542 /nfs/dbraw/zinc/90/15/42/596901542.db2.gz RULKKMFNGMBJOH-GFCCVEGCSA-N -1 0 354.432 -0.071 20 0 FBADRM CN1CCN(S(=O)(=O)c2ccc(N3CC[C@H](C(=O)[O-])C3)nc2)CC1 ZINC000818482389 596901571 /nfs/dbraw/zinc/90/15/71/596901571.db2.gz RULKKMFNGMBJOH-LBPRGKRZSA-N -1 0 354.432 -0.071 20 0 FBADRM CN1CCN(S(=O)(=O)c2ccc(N3CCO[C@@H](C(=O)[O-])C3)nc2)CC1 ZINC000818482433 597441836 /nfs/dbraw/zinc/44/18/36/597441836.db2.gz VUIIFNHAFZOFFF-CYBMUJFWSA-N -1 0 370.431 -0.693 20 0 FBADRM CN1CCN(S(=O)(=O)c2ccc(N3CCO[C@H](C(=O)[O-])C3)nc2)CC1 ZINC000818482434 597441807 /nfs/dbraw/zinc/44/18/07/597441807.db2.gz VUIIFNHAFZOFFF-ZDUSSCGKSA-N -1 0 370.431 -0.693 20 0 FBADRM CNC(=O)Cn1cc(NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)cn1 ZINC000818486170 597246588 /nfs/dbraw/zinc/24/65/88/597246588.db2.gz MDPAWHMGAQSAGF-UHFFFAOYSA-N -1 0 359.342 -0.167 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c2ccccc2O1 ZINC000818486195 597523176 /nfs/dbraw/zinc/52/31/76/597523176.db2.gz NGJFMDZJMLGEJZ-GWCFXTLKSA-N -1 0 361.354 -0.540 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c2ccccc2O1 ZINC000818486198 597523283 /nfs/dbraw/zinc/52/32/83/597523283.db2.gz NGJFMDZJMLGEJZ-GXFFZTMASA-N -1 0 361.354 -0.540 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c2ccccc2O1 ZINC000818486200 597523162 /nfs/dbraw/zinc/52/31/62/597523162.db2.gz NGJFMDZJMLGEJZ-MFKMUULPSA-N -1 0 361.354 -0.540 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c2ccccc2O1 ZINC000818486202 597523063 /nfs/dbraw/zinc/52/30/63/597523063.db2.gz NGJFMDZJMLGEJZ-ZWNOBZJWSA-N -1 0 361.354 -0.540 20 0 FBADRM CNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000818486336 597218348 /nfs/dbraw/zinc/21/83/48/597218348.db2.gz TYBFLCNPBWFNBB-CYBMUJFWSA-N -1 0 351.359 -0.025 20 0 FBADRM CNC(=O)COc1ccc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000818486338 597037052 /nfs/dbraw/zinc/03/70/52/597037052.db2.gz TYBFLCNPBWFNBB-ZDUSSCGKSA-N -1 0 351.359 -0.025 20 0 FBADRM CNC(=O)Cn1cc(NC(=O)C(=O)Nc2ccccc2CC(=O)[O-])cn1 ZINC000818486431 597348216 /nfs/dbraw/zinc/34/82/16/597348216.db2.gz YLBPBXXSLAVGPZ-UHFFFAOYSA-N -1 0 359.342 -0.167 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)ccc1C ZINC000818494820 597523101 /nfs/dbraw/zinc/52/31/01/597523101.db2.gz BSXLCMKCBQZIMN-JTQLQIEISA-N -1 0 369.399 -0.225 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1C ZINC000818494821 597523198 /nfs/dbraw/zinc/52/31/98/597523198.db2.gz BSXLCMKCBQZIMN-SNVBAGLBSA-N -1 0 369.399 -0.225 20 0 FBADRM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCC(=O)[O-])CC2 ZINC000818494934 600897561 /nfs/dbraw/zinc/89/75/61/600897561.db2.gz NGROLJSIRAHYMU-UHFFFAOYSA-N -1 0 355.372 -0.925 20 0 FBADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000818495258 601337425 /nfs/dbraw/zinc/33/74/25/601337425.db2.gz VORWPQWCUVECKA-JTQLQIEISA-N -1 0 369.399 -0.225 20 0 FBADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000818495259 601337359 /nfs/dbraw/zinc/33/73/59/601337359.db2.gz VORWPQWCUVECKA-SNVBAGLBSA-N -1 0 369.399 -0.225 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1C ZINC000818500418 604409566 /nfs/dbraw/zinc/40/95/66/604409566.db2.gz ISGHPQXQXBEQGO-JTQLQIEISA-N -1 0 369.399 -0.225 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1C ZINC000818500419 604409579 /nfs/dbraw/zinc/40/95/79/604409579.db2.gz ISGHPQXQXBEQGO-SNVBAGLBSA-N -1 0 369.399 -0.225 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCCC(=O)[O-])c1 ZINC000818500436 597222995 /nfs/dbraw/zinc/22/29/95/597222995.db2.gz JRYJRXFNZFRBOK-UHFFFAOYSA-N -1 0 358.376 -0.693 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)NCCC(=O)[O-])c1 ZINC000818500742 597228062 /nfs/dbraw/zinc/22/80/62/597228062.db2.gz ZUGCYLLPGNCLAW-SECBINFHSA-N -1 0 372.403 -0.304 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)NCCC(=O)[O-])c1 ZINC000818500743 597227744 /nfs/dbraw/zinc/22/77/44/597227744.db2.gz ZUGCYLLPGNCLAW-VIFPVBQESA-N -1 0 372.403 -0.304 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CCO1 ZINC000818502039 601470748 /nfs/dbraw/zinc/47/07/48/601470748.db2.gz BXIGJGVXYLJYNZ-GFCCVEGCSA-N -1 0 350.327 -0.347 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CCO1 ZINC000818502040 601470736 /nfs/dbraw/zinc/47/07/36/601470736.db2.gz BXIGJGVXYLJYNZ-LBPRGKRZSA-N -1 0 350.327 -0.347 20 0 FBADRM COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000818502134 597516646 /nfs/dbraw/zinc/51/66/46/597516646.db2.gz NNMFDBCDSPVRCC-QMMMGPOBSA-N -1 0 351.315 -0.883 20 0 FBADRM COC(=O)Cc1ccccc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000818506431 601470773 /nfs/dbraw/zinc/47/07/73/601470773.db2.gz MNGCTQWSPAOELD-GFCCVEGCSA-N -1 0 350.327 -0.347 20 0 FBADRM COC(=O)Cc1ccccc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000818506432 601470756 /nfs/dbraw/zinc/47/07/56/601470756.db2.gz MNGCTQWSPAOELD-LBPRGKRZSA-N -1 0 350.327 -0.347 20 0 FBADRM COC(=O)Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000818506900 602125862 /nfs/dbraw/zinc/12/58/62/602125862.db2.gz RAYZUOCLPRPYSI-GFCCVEGCSA-N -1 0 350.327 -0.347 20 0 FBADRM COC(=O)Cc1cccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000818506901 602125713 /nfs/dbraw/zinc/12/57/13/602125713.db2.gz RAYZUOCLPRPYSI-LBPRGKRZSA-N -1 0 350.327 -0.347 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1F ZINC000818521991 601855889 /nfs/dbraw/zinc/85/58/89/601855889.db2.gz FHONETDLPYCYHV-LLVKDONJSA-N -1 0 354.290 -0.137 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1F ZINC000818521992 601855801 /nfs/dbraw/zinc/85/58/01/601855801.db2.gz FHONETDLPYCYHV-NSHDSACASA-N -1 0 354.290 -0.137 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1C(=O)OC ZINC000818522071 597518718 /nfs/dbraw/zinc/51/87/18/597518718.db2.gz UCGQEMYMBHYYSX-ZETCQYMHSA-N -1 0 352.299 -0.212 20 0 FBADRM COC(=O)c1nn(CN2CCO[C@@H](C(=O)[O-])C2)c(=O)c2noc(C)c21 ZINC000818528014 597447205 /nfs/dbraw/zinc/44/72/05/597447205.db2.gz DHTNHZWBEYLFPF-MRVPVSSYSA-N -1 0 352.303 -0.778 20 0 FBADRM COC(=O)c1nn(CN2CCO[C@H](C(=O)[O-])C2)c(=O)c2noc(C)c21 ZINC000818528015 597447422 /nfs/dbraw/zinc/44/74/22/597447422.db2.gz DHTNHZWBEYLFPF-QMMMGPOBSA-N -1 0 352.303 -0.778 20 0 FBADRM COCC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000818530818 601468113 /nfs/dbraw/zinc/46/81/13/601468113.db2.gz WQZUZNPCWFOWPU-UHFFFAOYSA-N -1 0 363.370 -0.431 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)c1cc(OC)c(S(N)(=O)=O)s1 ZINC000818539491 601558342 /nfs/dbraw/zinc/55/83/42/601558342.db2.gz UYKBWFNVSCKWGZ-UHFFFAOYSA-N -1 0 352.390 -0.423 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC000818542650 601315512 /nfs/dbraw/zinc/31/55/12/601315512.db2.gz IPOYEOSKGMMQSC-UHFFFAOYSA-N -1 0 353.379 -0.026 20 0 FBADRM COCCn1c(N)c(C(=O)CN2CCC[C@@H](CC(=O)[O-])C2)c(=O)[nH]c1=O ZINC000818545355 597087004 /nfs/dbraw/zinc/08/70/04/597087004.db2.gz ABQDBOAMFYYHDA-JTQLQIEISA-N -1 0 368.390 -0.453 20 0 FBADRM COCCn1c(N)c(C(=O)CN2CCC[C@H](CC(=O)[O-])C2)c(=O)[nH]c1=O ZINC000818545356 597087044 /nfs/dbraw/zinc/08/70/44/597087044.db2.gz ABQDBOAMFYYHDA-SNVBAGLBSA-N -1 0 368.390 -0.453 20 0 FBADRM COCCS(=O)(=O)CC(=O)N(CC(=O)[O-])c1ccc2c(c1)OCO2 ZINC000818545457 597485008 /nfs/dbraw/zinc/48/50/08/597485008.db2.gz NNHRGBUPARKNIE-UHFFFAOYSA-N -1 0 359.356 -0.106 20 0 FBADRM COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000818545488 597520187 /nfs/dbraw/zinc/52/01/87/597520187.db2.gz SRPYXXQKMVXLQP-VIFPVBQESA-N -1 0 358.372 -0.366 20 0 FBADRM CON(C)C(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000818552196 601337471 /nfs/dbraw/zinc/33/74/71/601337471.db2.gz DKKVCBXRYJBBLL-GFCCVEGCSA-N -1 0 365.342 -0.430 20 0 FBADRM CON(C)C(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000818552197 601337393 /nfs/dbraw/zinc/33/73/93/601337393.db2.gz DKKVCBXRYJBBLL-LBPRGKRZSA-N -1 0 365.342 -0.430 20 0 FBADRM CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000818552507 597518634 /nfs/dbraw/zinc/51/86/34/597518634.db2.gz RABHOGWTOQYJPJ-MRVPVSSYSA-N -1 0 359.360 -0.604 20 0 FBADRM CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000818552508 597518514 /nfs/dbraw/zinc/51/85/14/597518514.db2.gz RABHOGWTOQYJPJ-QMMMGPOBSA-N -1 0 359.360 -0.604 20 0 FBADRM COc1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)sc1S(N)(=O)=O ZINC000818558049 596970044 /nfs/dbraw/zinc/97/00/44/596970044.db2.gz TZVCYICCYIOREN-SSDOTTSWSA-N -1 0 350.374 -0.670 20 0 FBADRM COc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)sc1S(N)(=O)=O ZINC000818558050 596970428 /nfs/dbraw/zinc/97/04/28/596970428.db2.gz TZVCYICCYIOREN-ZETCQYMHSA-N -1 0 350.374 -0.670 20 0 FBADRM COc1cc(OC)c(OC)cc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000818564221 604412253 /nfs/dbraw/zinc/41/22/53/604412253.db2.gz KCHXYGQMANDYHY-CYBMUJFWSA-N -1 0 368.342 -0.037 20 0 FBADRM COc1cc(OC)c(OC)cc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000818564227 604412596 /nfs/dbraw/zinc/41/25/96/604412596.db2.gz KCHXYGQMANDYHY-ZDUSSCGKSA-N -1 0 368.342 -0.037 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1-n1cnnn1 ZINC000818593706 600875231 /nfs/dbraw/zinc/87/52/31/600875231.db2.gz IPHLBCAAXRJMTA-SECBINFHSA-N -1 0 360.330 -0.458 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1-n1cnnn1 ZINC000818593708 600875197 /nfs/dbraw/zinc/87/51/97/600875197.db2.gz IPHLBCAAXRJMTA-VIFPVBQESA-N -1 0 360.330 -0.458 20 0 FBADRM COc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1-n1nnnc1C1CC1 ZINC000818593719 596947733 /nfs/dbraw/zinc/94/77/33/596947733.db2.gz KJEFSUDRQWUIAU-UHFFFAOYSA-N -1 0 360.330 -0.312 20 0 FBADRM COc1ccc(NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1-n1cnnn1 ZINC000818593788 597220119 /nfs/dbraw/zinc/22/01/19/597220119.db2.gz PIOCSIZZUYYOAW-GFCCVEGCSA-N -1 0 362.346 -0.165 20 0 FBADRM COc1ccc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)cc1-n1cnnn1 ZINC000818593791 597037225 /nfs/dbraw/zinc/03/72/25/597037225.db2.gz PIOCSIZZUYYOAW-LBPRGKRZSA-N -1 0 362.346 -0.165 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1OCC(N)=O ZINC000818593811 597523743 /nfs/dbraw/zinc/52/37/43/597523743.db2.gz QCLLWOBZNLTMCM-SECBINFHSA-N -1 0 365.342 -0.569 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1OCC(N)=O ZINC000818593816 597523699 /nfs/dbraw/zinc/52/36/99/597523699.db2.gz QCLLWOBZNLTMCM-VIFPVBQESA-N -1 0 365.342 -0.569 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)cc1-n1cnnn1 ZINC000818593864 601339793 /nfs/dbraw/zinc/33/97/93/601339793.db2.gz ZODRIWYVBYZYON-UHFFFAOYSA-N -1 0 374.357 -0.067 20 0 FBADRM COc1ccc(NC(=O)NCC(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000818599014 597490720 /nfs/dbraw/zinc/49/07/20/597490720.db2.gz FZTZSRWDJWDJFJ-UHFFFAOYSA-N -1 0 373.387 -0.078 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCC(=O)[O-] ZINC000818606888 597490786 /nfs/dbraw/zinc/49/07/86/597490786.db2.gz QHZWJLQYJBZQST-UHFFFAOYSA-N -1 0 373.387 -0.078 20 0 FBADRM COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N[C@@H](C)C(=O)[O-] ZINC000818606912 597518001 /nfs/dbraw/zinc/51/80/01/597518001.db2.gz ZSFCZASSSLFVNL-QMMMGPOBSA-N -1 0 373.387 -0.527 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000818611474 601856996 /nfs/dbraw/zinc/85/69/96/601856996.db2.gz OVFCKTLINLPXAL-LLVKDONJSA-N -1 0 357.388 -0.170 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000818611475 601863219 /nfs/dbraw/zinc/86/32/19/601863219.db2.gz OVFCKTLINLPXAL-NSHDSACASA-N -1 0 357.388 -0.170 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCO[C@@H](C(=O)[O-])C1 ZINC000818611517 601860553 /nfs/dbraw/zinc/86/05/53/601860553.db2.gz WXFMMIXIQBNOQT-GFCCVEGCSA-N -1 0 373.387 -0.934 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCO[C@H](C(=O)[O-])C1 ZINC000818611519 601860755 /nfs/dbraw/zinc/86/07/55/601860755.db2.gz WXFMMIXIQBNOQT-LBPRGKRZSA-N -1 0 373.387 -0.934 20 0 FBADRM CC(C)C[C@H](CNC(=O)NCCS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000818623917 661060748 /nfs/dbraw/zinc/06/07/48/661060748.db2.gz BXGSCQDMXWRZSJ-GFCCVEGCSA-N -1 0 365.452 -0.306 20 0 FBADRM CC(C)C[C@@H](CNC(=O)NCCS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000818623921 661060723 /nfs/dbraw/zinc/06/07/23/661060723.db2.gz BXGSCQDMXWRZSJ-LBPRGKRZSA-N -1 0 365.452 -0.306 20 0 FBADRM CC(C)(CCNC(=O)NCCS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000818624564 661060777 /nfs/dbraw/zinc/06/07/77/661060777.db2.gz GMVCTUJJLNOVHQ-UHFFFAOYSA-N -1 0 351.425 -0.552 20 0 FBADRM CCC(CC)(CNC(=O)NCCS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000818625811 661060759 /nfs/dbraw/zinc/06/07/59/661060759.db2.gz UUQLOKYBCYNZJY-UHFFFAOYSA-N -1 0 365.452 -0.161 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)cc1C(N)=O ZINC000818638780 601862299 /nfs/dbraw/zinc/86/22/99/601862299.db2.gz DTNIHRDKKIBBLK-UHFFFAOYSA-N -1 0 350.331 -0.549 20 0 FBADRM CS(=O)(=O)CCn1ccc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC000818638802 596960366 /nfs/dbraw/zinc/96/03/66/596960366.db2.gz GDHDMNRJLPSUBW-UHFFFAOYSA-N -1 0 372.403 -0.811 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1C(N)=O ZINC000818638971 597135665 /nfs/dbraw/zinc/13/56/65/597135665.db2.gz ORPWHRNHJFZBIP-SECBINFHSA-N -1 0 364.358 -0.159 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1C(N)=O ZINC000818638972 597135428 /nfs/dbraw/zinc/13/54/28/597135428.db2.gz ORPWHRNHJFZBIP-VIFPVBQESA-N -1 0 364.358 -0.159 20 0 FBADRM COc1ncc(NC(=O)C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1C(N)=O ZINC000818638973 597135400 /nfs/dbraw/zinc/13/54/00/597135400.db2.gz OUUGYMZHIXDLOX-SNVBAGLBSA-N -1 0 352.347 -0.257 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000818645182 597347504 /nfs/dbraw/zinc/34/75/04/597347504.db2.gz BLWQRGMNJDWGRU-UHFFFAOYSA-N -1 0 369.399 -0.644 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N(CC(=O)[O-])c2ccccc2)CC1 ZINC000818645192 597014389 /nfs/dbraw/zinc/01/43/89/597014389.db2.gz BOVGAHRHZAKIID-UHFFFAOYSA-N -1 0 355.416 -0.319 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000818645223 602304468 /nfs/dbraw/zinc/30/44/68/602304468.db2.gz DHIQIBGNCSJRDR-AWEZNQCLSA-N -1 0 355.416 -0.494 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000818645249 601472522 /nfs/dbraw/zinc/47/25/22/601472522.db2.gz FHPCOIXTNPYXDD-LLVKDONJSA-N -1 0 369.399 -0.598 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000818645251 601472505 /nfs/dbraw/zinc/47/25/05/601472505.db2.gz FHPCOIXTNPYXDD-NSHDSACASA-N -1 0 369.399 -0.598 20 0 FBADRM CS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818645292 597346234 /nfs/dbraw/zinc/34/62/34/597346234.db2.gz ILAOXWSDJXMRQW-UHFFFAOYSA-N -1 0 357.388 -0.692 20 0 FBADRM CS(=O)(=O)N1CCN(c2ccc(NC(=O)NCCC(=O)[O-])cn2)CC1 ZINC000818645568 601049445 /nfs/dbraw/zinc/04/94/45/601049445.db2.gz LGORGRDOTJQRSX-UHFFFAOYSA-N -1 0 371.419 -0.241 20 0 FBADRM CS(=O)(=O)N1CCN(c2ccc(NC(=O)NCC(=O)[O-])cn2)CC1 ZINC000818645622 597491952 /nfs/dbraw/zinc/49/19/52/597491952.db2.gz NLOBAZUDDITQJE-UHFFFAOYSA-N -1 0 357.392 -0.631 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000818645665 602321803 /nfs/dbraw/zinc/32/18/03/602321803.db2.gz OVSUIGQILLTWMU-AWEZNQCLSA-N -1 0 369.443 -0.624 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000818645668 601395100 /nfs/dbraw/zinc/39/51/00/601395100.db2.gz OVSUIGQILLTWMU-CQSZACIVSA-N -1 0 369.443 -0.624 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000818645755 602077974 /nfs/dbraw/zinc/07/79/74/602077974.db2.gz SQYYJEITQLYRGY-UHFFFAOYSA-N -1 0 355.416 -0.171 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000818645785 602348028 /nfs/dbraw/zinc/34/80/28/602348028.db2.gz UJYAQDYTUKHNCH-UHFFFAOYSA-N -1 0 355.416 -0.171 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000818645931 601394399 /nfs/dbraw/zinc/39/43/99/601394399.db2.gz YPRIMJIWABOQDG-UHFFFAOYSA-N -1 0 355.416 -0.422 20 0 FBADRM CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CCO[C@H](C(=O)[O-])C1 ZINC000818648542 597441511 /nfs/dbraw/zinc/44/15/11/597441511.db2.gz WOVRUCOSTWHQLN-JTQLQIEISA-N -1 0 364.401 -0.973 20 0 FBADRM CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CCO[C@@H](C(=O)[O-])C1 ZINC000818648543 597441775 /nfs/dbraw/zinc/44/17/75/597441775.db2.gz WOVRUCOSTWHQLN-SNVBAGLBSA-N -1 0 364.401 -0.973 20 0 FBADRM CS(=O)(=O)c1ccc(-n2nnnc2CN2CC[C@H](C(=O)[O-])C2)cc1 ZINC000818648551 597528008 /nfs/dbraw/zinc/52/80/08/597528008.db2.gz YHQOJJVKABRMAQ-JTQLQIEISA-N -1 0 351.388 -0.028 20 0 FBADRM CS(=O)(=O)c1ccc(-n2nnnc2CN2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000818648552 597527598 /nfs/dbraw/zinc/52/75/98/597527598.db2.gz YHQOJJVKABRMAQ-SNVBAGLBSA-N -1 0 351.388 -0.028 20 0 FBADRM CS(=O)(=O)c1ccccc1-n1cc(NC(=O)C(=O)NCC(=O)[O-])cn1 ZINC000818654208 597260581 /nfs/dbraw/zinc/26/05/81/597260581.db2.gz YFTQJFDBWDRWGH-UHFFFAOYSA-N -1 0 366.355 -0.585 20 0 FBADRM CC(C)(CCNC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1)C(=O)[O-] ZINC000818656101 661060977 /nfs/dbraw/zinc/06/09/77/661060977.db2.gz BHKUAIZCKSWXRZ-LLVKDONJSA-N -1 0 358.391 -0.358 20 0 FBADRM CC(C)(CCNC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1)C(=O)[O-] ZINC000818656102 661060934 /nfs/dbraw/zinc/06/09/34/661060934.db2.gz BHKUAIZCKSWXRZ-NSHDSACASA-N -1 0 358.391 -0.358 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000818656138 661061077 /nfs/dbraw/zinc/06/10/77/661061077.db2.gz BSUGKEGIKZOXCS-UHFFFAOYSA-N -1 0 351.425 -0.951 20 0 FBADRM CC(C)(C)S(=O)(=O)CCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000818656877 661061052 /nfs/dbraw/zinc/06/10/52/661061052.db2.gz MFCWHXUEUMRZRV-UHFFFAOYSA-N -1 0 350.437 -0.067 20 0 FBADRM CCOC(=O)[C@H]1CN(C(=O)C(=O)NCC(CC)(CC)C(=O)[O-])CCO1 ZINC000818658895 661061024 /nfs/dbraw/zinc/06/10/24/661061024.db2.gz CKYFTSLQWUKVSL-LLVKDONJSA-N -1 0 358.391 -0.216 20 0 FBADRM CCOC(=O)[C@@H]1CN(C(=O)C(=O)NCC(CC)(CC)C(=O)[O-])CCO1 ZINC000818658896 661061072 /nfs/dbraw/zinc/06/10/72/661061072.db2.gz CKYFTSLQWUKVSL-NSHDSACASA-N -1 0 358.391 -0.216 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N(C)CCS(=O)(=O)CC)C(=O)[O-] ZINC000818658943 661061040 /nfs/dbraw/zinc/06/10/40/661061040.db2.gz FLIKQHMBFBABKK-UHFFFAOYSA-N -1 0 350.437 -0.113 20 0 FBADRM CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000818658962 661061046 /nfs/dbraw/zinc/06/10/46/661061046.db2.gz GATIWMSKHXKLAZ-UHFFFAOYSA-N -1 0 350.437 -0.115 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(=O)[O-] ZINC000818659092 661061058 /nfs/dbraw/zinc/06/10/58/661061058.db2.gz KFXGKLWYAFVBMJ-MNOVXSKESA-N -1 0 355.391 -0.050 20 0 FBADRM CCS(=O)(=O)CCN(C)C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000818659113 661061204 /nfs/dbraw/zinc/06/12/04/661061204.db2.gz KPPZXRPMNGANOH-LLVKDONJSA-N -1 0 350.437 -0.257 20 0 FBADRM CCS(=O)(=O)CCN(C)C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000818659114 661061212 /nfs/dbraw/zinc/06/12/12/661061212.db2.gz KPPZXRPMNGANOH-NSHDSACASA-N -1 0 350.437 -0.257 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(=O)[O-] ZINC000818659119 661061200 /nfs/dbraw/zinc/06/12/00/661061200.db2.gz KRSJLVRMHPTTHB-TUAOUCFPSA-N -1 0 355.391 -0.194 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(=O)[O-] ZINC000818659120 661061351 /nfs/dbraw/zinc/06/13/51/661061351.db2.gz KRSJLVRMHPTTHB-UTUOFQBUSA-N -1 0 355.391 -0.194 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCC2(COC(=O)N2)CC1)C(=O)[O-] ZINC000818659172 661061243 /nfs/dbraw/zinc/06/12/43/661061243.db2.gz MCYVFALPPSOFQU-LLVKDONJSA-N -1 0 355.391 -0.050 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCC2(COC(=O)N2)CC1)C(=O)[O-] ZINC000818659173 661061171 /nfs/dbraw/zinc/06/11/71/661061171.db2.gz MCYVFALPPSOFQU-NSHDSACASA-N -1 0 355.391 -0.050 20 0 FBADRM CCOC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CCO1 ZINC000818659306 661061314 /nfs/dbraw/zinc/06/13/14/661061314.db2.gz QNNKMCNPSWKEQF-NEPJUHHUSA-N -1 0 358.391 -0.360 20 0 FBADRM CCOC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CCO1 ZINC000818659307 661061150 /nfs/dbraw/zinc/06/11/50/661061150.db2.gz QNNKMCNPSWKEQF-NWDGAFQWSA-N -1 0 358.391 -0.360 20 0 FBADRM CCOC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CCO1 ZINC000818659308 661061319 /nfs/dbraw/zinc/06/13/19/661061319.db2.gz QNNKMCNPSWKEQF-RYUDHWBXSA-N -1 0 358.391 -0.360 20 0 FBADRM CCOC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CCO1 ZINC000818659309 661061218 /nfs/dbraw/zinc/06/12/18/661061218.db2.gz QNNKMCNPSWKEQF-VXGBXAGGSA-N -1 0 358.391 -0.360 20 0 FBADRM CCN(CCS(C)(=O)=O)C(=O)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000818659397 661061197 /nfs/dbraw/zinc/06/11/97/661061197.db2.gz UTGAERQZNORYJB-UHFFFAOYSA-N -1 0 350.437 -0.113 20 0 FBADRM CCN(CCS(C)(=O)=O)C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000818659533 661061151 /nfs/dbraw/zinc/06/11/51/661061151.db2.gz VSSIASXTWMKGAC-LLVKDONJSA-N -1 0 350.437 -0.257 20 0 FBADRM CCN(CCS(C)(=O)=O)C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000818659534 661061179 /nfs/dbraw/zinc/06/11/79/661061179.db2.gz VSSIASXTWMKGAC-NSHDSACASA-N -1 0 350.437 -0.257 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N(CCS(C)(=O)=O)C1CC1)C(=O)[O-] ZINC000818659583 661061358 /nfs/dbraw/zinc/06/13/58/661061358.db2.gz XCLSFQQEFKQFIO-LLVKDONJSA-N -1 0 362.448 -0.115 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N(CCS(C)(=O)=O)C1CC1)C(=O)[O-] ZINC000818659584 661061347 /nfs/dbraw/zinc/06/13/47/661061347.db2.gz XCLSFQQEFKQFIO-NSHDSACASA-N -1 0 362.448 -0.115 20 0 FBADRM CSc1nnnn1-c1cccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000818665539 597515728 /nfs/dbraw/zinc/51/57/28/597515728.db2.gz HFHDCIULQTUMSK-SSDOTTSWSA-N -1 0 350.360 -0.088 20 0 FBADRM CSc1nnnn1-c1cccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000818665540 597515916 /nfs/dbraw/zinc/51/59/16/597515916.db2.gz HFHDCIULQTUMSK-ZETCQYMHSA-N -1 0 350.360 -0.088 20 0 FBADRM C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)NCC(=O)[O-])C1=O ZINC000818703253 597745577 /nfs/dbraw/zinc/74/55/77/597745577.db2.gz NEGCUWFZOVKWSN-INIZCTEOSA-N -1 0 363.326 -0.574 20 0 FBADRM C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)NCC(=O)[O-])C1=O ZINC000818703254 597745811 /nfs/dbraw/zinc/74/58/11/597745811.db2.gz NEGCUWFZOVKWSN-MRXNPFEDSA-N -1 0 363.326 -0.574 20 0 FBADRM C[C@@H](NS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000818704377 602174389 /nfs/dbraw/zinc/17/43/89/602174389.db2.gz ALHXRVSSCKXHCC-SECBINFHSA-N -1 0 368.408 -0.161 20 0 FBADRM Cc1c(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cccc1S(=O)(=O)NC1CC1 ZINC000818778397 597519234 /nfs/dbraw/zinc/51/92/34/597519234.db2.gz CUKANLIVIVWYCI-VIFPVBQESA-N -1 0 369.399 -0.036 20 0 FBADRM Cc1c(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cccc1C(=O)N1CCOCC1 ZINC000818778452 597516005 /nfs/dbraw/zinc/51/60/05/597516005.db2.gz JCTHCAIWNABYPZ-NSHDSACASA-N -1 0 363.370 -0.005 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1=O ZINC000818784262 661063268 /nfs/dbraw/zinc/06/32/68/661063268.db2.gz ATBLVFXYCWMTSZ-AWEZNQCLSA-N -1 0 368.371 -0.069 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1=O ZINC000818784263 661063355 /nfs/dbraw/zinc/06/33/55/661063355.db2.gz ATBLVFXYCWMTSZ-CQSZACIVSA-N -1 0 368.371 -0.069 20 0 FBADRM Cc1cc(N2CCC[C@@H](NC(=O)N3CCO[C@H](C(=O)[O-])C3)C2=O)n(C)n1 ZINC000818829605 600762475 /nfs/dbraw/zinc/76/24/75/600762475.db2.gz BDMVMOHCVJBJNT-NEPJUHHUSA-N -1 0 365.390 -0.281 20 0 FBADRM Cc1cc(N2CCC[C@H](NC(=O)N3CCO[C@@H](C(=O)[O-])C3)C2=O)n(C)n1 ZINC000818829606 600762290 /nfs/dbraw/zinc/76/22/90/600762290.db2.gz BDMVMOHCVJBJNT-NWDGAFQWSA-N -1 0 365.390 -0.281 20 0 FBADRM Cc1cc(N2CCC[C@H](NC(=O)N3CCO[C@H](C(=O)[O-])C3)C2=O)n(C)n1 ZINC000818829607 600762367 /nfs/dbraw/zinc/76/23/67/600762367.db2.gz BDMVMOHCVJBJNT-RYUDHWBXSA-N -1 0 365.390 -0.281 20 0 FBADRM Cc1cc(N2CCC[C@@H](NC(=O)N3CCO[C@@H](C(=O)[O-])C3)C2=O)n(C)n1 ZINC000818829608 600762320 /nfs/dbraw/zinc/76/23/20/600762320.db2.gz BDMVMOHCVJBJNT-VXGBXAGGSA-N -1 0 365.390 -0.281 20 0 FBADRM Cc1cc(N2CC[C@@H](NC(=O)N3CCO[C@@H](C(=O)[O-])C3)C2=O)n(C)n1 ZINC000818829680 600759833 /nfs/dbraw/zinc/75/98/33/600759833.db2.gz KAMDOAMGDGZMFA-GHMZBOCLSA-N -1 0 351.363 -0.671 20 0 FBADRM Cc1cc(N2CC[C@@H](NC(=O)N3CCO[C@H](C(=O)[O-])C3)C2=O)n(C)n1 ZINC000818829681 600759792 /nfs/dbraw/zinc/75/97/92/600759792.db2.gz KAMDOAMGDGZMFA-MNOVXSKESA-N -1 0 351.363 -0.671 20 0 FBADRM Cc1cc(N2CC[C@H](NC(=O)N3CCO[C@H](C(=O)[O-])C3)C2=O)n(C)n1 ZINC000818829682 600759788 /nfs/dbraw/zinc/75/97/88/600759788.db2.gz KAMDOAMGDGZMFA-QWRGUYRKSA-N -1 0 351.363 -0.671 20 0 FBADRM Cc1cc(N2CC[C@H](NC(=O)N3CCO[C@@H](C(=O)[O-])C3)C2=O)n(C)n1 ZINC000818829683 600759686 /nfs/dbraw/zinc/75/96/86/600759686.db2.gz KAMDOAMGDGZMFA-WDEREUQCSA-N -1 0 351.363 -0.671 20 0 FBADRM Cc1cc(NC(=O)CN(C)[C@H](C)C(=O)[O-])n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000818835654 597475059 /nfs/dbraw/zinc/47/50/59/597475059.db2.gz WZPSPSPTWCQWJF-GHMZBOCLSA-N -1 0 358.420 -0.105 20 0 FBADRM Cc1cc(NC(=O)CN(C)[C@H](C)C(=O)[O-])n([C@H]2CCS(=O)(=O)C2)n1 ZINC000818835662 597475331 /nfs/dbraw/zinc/47/53/31/597475331.db2.gz WZPSPSPTWCQWJF-MNOVXSKESA-N -1 0 358.420 -0.105 20 0 FBADRM Cc1cc(NC(=O)CN(C)[C@@H](C)C(=O)[O-])n([C@H]2CCS(=O)(=O)C2)n1 ZINC000818835665 597475045 /nfs/dbraw/zinc/47/50/45/597475045.db2.gz WZPSPSPTWCQWJF-QWRGUYRKSA-N -1 0 358.420 -0.105 20 0 FBADRM Cc1cc(NC(=O)CN(C)[C@@H](C)C(=O)[O-])n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000818835668 597474995 /nfs/dbraw/zinc/47/49/95/597474995.db2.gz WZPSPSPTWCQWJF-WDEREUQCSA-N -1 0 358.420 -0.105 20 0 FBADRM Cc1cc(NC(=O)CN2CC[C@@H](C(=O)[O-])C2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000818841909 597524950 /nfs/dbraw/zinc/52/49/50/597524950.db2.gz IHDUPOPDUSZULE-NEPJUHHUSA-N -1 0 370.431 -0.104 20 0 FBADRM Cc1cc(NC(=O)CN2CC[C@H](C(=O)[O-])C2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000818841910 597525154 /nfs/dbraw/zinc/52/51/54/597525154.db2.gz IHDUPOPDUSZULE-NWDGAFQWSA-N -1 0 370.431 -0.104 20 0 FBADRM Cc1cc(NC(=O)CN2CC[C@H](C(=O)[O-])C2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000818841911 597525152 /nfs/dbraw/zinc/52/51/52/597525152.db2.gz IHDUPOPDUSZULE-RYUDHWBXSA-N -1 0 370.431 -0.104 20 0 FBADRM Cc1cc(NC(=O)CN2CC[C@@H](C(=O)[O-])C2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000818841912 597524897 /nfs/dbraw/zinc/52/48/97/597524897.db2.gz IHDUPOPDUSZULE-VXGBXAGGSA-N -1 0 370.431 -0.104 20 0 FBADRM Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N[C@@H](C)C(=O)[O-] ZINC000818874811 597520249 /nfs/dbraw/zinc/52/02/49/597520249.db2.gz AMPUCNFZYDVYEO-NSHDSACASA-N -1 0 363.370 -0.005 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1C(=O)N(C)C ZINC000818898690 601362039 /nfs/dbraw/zinc/36/20/39/601362039.db2.gz GLCIEYRAGVIJIJ-CYBMUJFWSA-N -1 0 363.370 -0.053 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1C(=O)N(C)C ZINC000818898691 601362166 /nfs/dbraw/zinc/36/21/66/601362166.db2.gz GLCIEYRAGVIJIJ-ZDUSSCGKSA-N -1 0 363.370 -0.053 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000818898857 597518666 /nfs/dbraw/zinc/51/86/66/597518666.db2.gz LKLVNSWHWUUKLS-VIFPVBQESA-N -1 0 369.399 -0.036 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000818898869 597519244 /nfs/dbraw/zinc/51/92/44/597519244.db2.gz MVLRROUBIDOBHP-VIFPVBQESA-N -1 0 357.388 -0.227 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])c(OCC(=O)N(C)C)c1 ZINC000818898882 597520386 /nfs/dbraw/zinc/52/03/86/597520386.db2.gz OLNDGHRBIZUKHL-JTQLQIEISA-N -1 0 351.359 -0.010 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1S(N)(=O)=O ZINC000818905123 597218418 /nfs/dbraw/zinc/21/84/18/597218418.db2.gz VKGWLQMVFKWPCO-LLVKDONJSA-N -1 0 357.388 -0.194 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)cc1S(N)(=O)=O ZINC000818905124 597036582 /nfs/dbraw/zinc/03/65/82/597036582.db2.gz VKGWLQMVFKWPCO-NSHDSACASA-N -1 0 357.388 -0.194 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCO[C@@H](C(=O)[O-])C1 ZINC000818922190 601860848 /nfs/dbraw/zinc/86/08/48/601860848.db2.gz ZKHSBOFFWKWRIX-GFCCVEGCSA-N -1 0 357.388 -0.634 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCO[C@H](C(=O)[O-])C1 ZINC000818922192 601860799 /nfs/dbraw/zinc/86/07/99/601860799.db2.gz ZKHSBOFFWKWRIX-LBPRGKRZSA-N -1 0 357.388 -0.634 20 0 FBADRM COC(=O)CNC(=O)CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000818985938 661065228 /nfs/dbraw/zinc/06/52/28/661065228.db2.gz ANKVGDXPXMUQJS-UHFFFAOYSA-N -1 0 364.383 -0.909 20 0 FBADRM COC(=O)CNC(=O)CNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000818987968 661065302 /nfs/dbraw/zinc/06/53/02/661065302.db2.gz JKIKXBOPCZTXSV-UHFFFAOYSA-N -1 0 364.383 -0.759 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)NCCC(=O)[O-])CC2)cn1C ZINC000818999886 597232958 /nfs/dbraw/zinc/23/29/58/597232958.db2.gz CWLKRYYAZVEJTN-UHFFFAOYSA-N -1 0 359.408 -0.781 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)NCCC(=O)[O-])CC2)cs1 ZINC000819000215 597222564 /nfs/dbraw/zinc/22/25/64/597222564.db2.gz VLCPDQHYIAXCOB-UHFFFAOYSA-N -1 0 362.433 -0.058 20 0 FBADRM Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000819040883 602201960 /nfs/dbraw/zinc/20/19/60/602201960.db2.gz JLAJDJWDFQOEHK-CYBMUJFWSA-N -1 0 364.337 -0.166 20 0 FBADRM Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCO[C@H](C(=O)[O-])C2)c1 ZINC000819040884 602201954 /nfs/dbraw/zinc/20/19/54/602201954.db2.gz JLAJDJWDFQOEHK-ZDUSSCGKSA-N -1 0 364.337 -0.166 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NCCC(=O)[O-])CC1 ZINC000819045293 597223733 /nfs/dbraw/zinc/22/37/33/597223733.db2.gz JFLSSSSNASIXRM-UHFFFAOYSA-N -1 0 360.392 -0.218 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NC2CCN(CC(N)=O)CC2)c1 ZINC000819048946 661065692 /nfs/dbraw/zinc/06/56/92/661065692.db2.gz DMPKMIMDWKHVIA-DEOSSOPVSA-N -1 0 353.444 -0.131 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NC2CCN(CC(N)=O)CC2)c1 ZINC000819048948 661065737 /nfs/dbraw/zinc/06/57/37/661065737.db2.gz DMPKMIMDWKHVIA-XMMPIXPASA-N -1 0 353.444 -0.131 20 0 FBADRM Cn1c(=O)ccn(CC(=O)N(CC(=O)[O-])c2ccc3c(c2)OCO3)c1=O ZINC000819057865 597445087 /nfs/dbraw/zinc/44/50/87/597445087.db2.gz KUFSJCGCGGWXPG-UHFFFAOYSA-N -1 0 361.310 -0.607 20 0 FBADRM Cn1c2ncn(CC(=O)NC3(C(=O)[O-])CCCCC3)c2c(=O)n(C)c1=O ZINC000819057877 597336611 /nfs/dbraw/zinc/33/66/11/597336611.db2.gz MUXPBAPBLFCBNG-UHFFFAOYSA-N -1 0 363.374 -0.663 20 0 FBADRM Cn1c2ncn(CC(=O)OCc3ccc(C(=O)[O-])cc3)c2c(=O)n(C)c1=O ZINC000819057881 597311501 /nfs/dbraw/zinc/31/15/01/597311501.db2.gz NTWUKFDKJQSLNI-UHFFFAOYSA-N -1 0 372.337 -0.125 20 0 FBADRM Cn1cc(C(=O)N(CC(=O)[O-])c2ccc3c(c2)OCO3)c(=O)n(C)c1=O ZINC000819063760 597484884 /nfs/dbraw/zinc/48/48/84/597484884.db2.gz LASDAQVXYRKYEA-UHFFFAOYSA-N -1 0 361.310 -0.456 20 0 FBADRM Cn1c(=O)cc(CS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)n(C)c1=O ZINC000819063916 597292890 /nfs/dbraw/zinc/29/28/90/597292890.db2.gz WGIJBKZMGYMXOL-UHFFFAOYSA-N -1 0 352.368 -0.103 20 0 FBADRM Cn1cc(N2CCC[C@@H](NC(=O)N3CCO[C@H](C(=O)[O-])C3)C2=O)cn1 ZINC000819067265 600755105 /nfs/dbraw/zinc/75/51/05/600755105.db2.gz CBEXBIWHVJQROM-NEPJUHHUSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)N3CCO[C@@H](C(=O)[O-])C3)C2=O)cn1 ZINC000819067268 600755052 /nfs/dbraw/zinc/75/50/52/600755052.db2.gz CBEXBIWHVJQROM-NWDGAFQWSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)N3CCO[C@H](C(=O)[O-])C3)C2=O)cn1 ZINC000819067271 600755072 /nfs/dbraw/zinc/75/50/72/600755072.db2.gz CBEXBIWHVJQROM-RYUDHWBXSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(N2CCC[C@@H](NC(=O)N3CCO[C@@H](C(=O)[O-])C3)C2=O)cn1 ZINC000819067274 600755139 /nfs/dbraw/zinc/75/51/39/600755139.db2.gz CBEXBIWHVJQROM-VXGBXAGGSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1ccc(N2CCC[C@@H](NC(=O)N3CCO[C@@H](C(=O)[O-])C3)C2=O)n1 ZINC000819072327 600757734 /nfs/dbraw/zinc/75/77/34/600757734.db2.gz MWSOLMREWCWVJJ-GHMZBOCLSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1ccc(N2CCC[C@@H](NC(=O)N3CCO[C@H](C(=O)[O-])C3)C2=O)n1 ZINC000819072329 600757846 /nfs/dbraw/zinc/75/78/46/600757846.db2.gz MWSOLMREWCWVJJ-MNOVXSKESA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)N3CCO[C@H](C(=O)[O-])C3)C2=O)n1 ZINC000819072331 600757740 /nfs/dbraw/zinc/75/77/40/600757740.db2.gz MWSOLMREWCWVJJ-QWRGUYRKSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)N3CCO[C@@H](C(=O)[O-])C3)C2=O)n1 ZINC000819072333 600758670 /nfs/dbraw/zinc/75/86/70/600758670.db2.gz MWSOLMREWCWVJJ-WDEREUQCSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCCC(=O)[O-])CC2)cn1 ZINC000819072506 597221721 /nfs/dbraw/zinc/22/17/21/597221721.db2.gz YNTFBAMEINSMHB-UHFFFAOYSA-N -1 0 359.408 -0.653 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)OCc1ccc(C(=O)[O-])cc1)c(=O)n2C ZINC000819078082 597312599 /nfs/dbraw/zinc/31/25/99/597312599.db2.gz KFJAIGNYLONEPT-UHFFFAOYSA-N -1 0 372.337 -0.125 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)NC1(C(=O)[O-])CCCCC1)c(=O)n2C ZINC000819078358 597336488 /nfs/dbraw/zinc/33/64/88/597336488.db2.gz NKJJXAGRJGPEIC-UHFFFAOYSA-N -1 0 363.374 -0.663 20 0 FBADRM Cn1ccnc1-c1csc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)n1 ZINC000819078421 604864788 /nfs/dbraw/zinc/86/47/88/604864788.db2.gz RYYKQBJYYHHLST-SECBINFHSA-N -1 0 365.371 -0.206 20 0 FBADRM Cn1ccnc1-c1csc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)n1 ZINC000819078422 604864717 /nfs/dbraw/zinc/86/47/17/604864717.db2.gz RYYKQBJYYHHLST-VIFPVBQESA-N -1 0 365.371 -0.206 20 0 FBADRM Cn1nc2c(cc1=O)CN(C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)CC2 ZINC000819084264 602132069 /nfs/dbraw/zinc/13/20/69/602132069.db2.gz IGEHDPKAIDXCMB-UHFFFAOYSA-N -1 0 370.365 -0.069 20 0 FBADRM Cn1nc2c(cc1=O)CN(C(=O)C(=O)Nc1ccccc1CC(=O)[O-])CC2 ZINC000819084473 601478522 /nfs/dbraw/zinc/47/85/22/601478522.db2.gz SGOWSQNNPNFKFK-UHFFFAOYSA-N -1 0 370.365 -0.069 20 0 FBADRM Cn1nccc1[C@@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000819090339 661066070 /nfs/dbraw/zinc/06/60/70/661066070.db2.gz ULZXZTNXLDPXBA-LLVKDONJSA-N -1 0 360.392 -0.781 20 0 FBADRM Cn1nccc1[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000819090340 661066010 /nfs/dbraw/zinc/06/60/10/661066010.db2.gz ULZXZTNXLDPXBA-NSHDSACASA-N -1 0 360.392 -0.781 20 0 FBADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cn1C ZINC000819092326 661066129 /nfs/dbraw/zinc/06/61/29/661066129.db2.gz VQDUVERBBRCKPX-KYZUINATSA-N -1 0 358.372 -0.088 20 0 FBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)c2ccccc2Cn2cncn2)C1 ZINC000819093860 661066121 /nfs/dbraw/zinc/06/61/21/661066121.db2.gz AHOBRVVMWBSDKN-AWEZNQCLSA-N -1 0 352.372 -0.464 20 0 FBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)c2ccccc2Cn2cncn2)C1 ZINC000819093861 661066384 /nfs/dbraw/zinc/06/63/84/661066384.db2.gz AHOBRVVMWBSDKN-CQSZACIVSA-N -1 0 352.372 -0.464 20 0 FBADRM COc1cc(OC)c(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)c(OC)c1 ZINC000819094492 661066356 /nfs/dbraw/zinc/06/63/56/661066356.db2.gz LPAMCYZFKVDURP-AWEZNQCLSA-N -1 0 361.372 -0.078 20 0 FBADRM COc1cc(OC)c(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)c(OC)c1 ZINC000819094493 661066379 /nfs/dbraw/zinc/06/63/79/661066379.db2.gz LPAMCYZFKVDURP-CQSZACIVSA-N -1 0 361.372 -0.078 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)c1 ZINC000819094535 661066377 /nfs/dbraw/zinc/06/63/77/661066377.db2.gz MSSGJDNCNGWNTA-CYBMUJFWSA-N -1 0 363.413 -0.310 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1 ZINC000819094536 661066364 /nfs/dbraw/zinc/06/63/64/661066364.db2.gz MSSGJDNCNGWNTA-ZDUSSCGKSA-N -1 0 363.413 -0.310 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000819094808 661066375 /nfs/dbraw/zinc/06/63/75/661066375.db2.gz MTIQUVUVAFKABX-CYBMUJFWSA-N -1 0 363.413 -0.391 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000819094809 661066281 /nfs/dbraw/zinc/06/62/81/661066281.db2.gz MTIQUVUVAFKABX-ZDUSSCGKSA-N -1 0 363.413 -0.391 20 0 FBADRM Cc1c(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)cnn1-c1ccccn1 ZINC000819094894 661066329 /nfs/dbraw/zinc/06/63/29/661066329.db2.gz RBSLUJXWQHRHMC-AWEZNQCLSA-N -1 0 352.372 -0.214 20 0 FBADRM Cc1c(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)cnn1-c1ccccn1 ZINC000819094895 661066381 /nfs/dbraw/zinc/06/63/81/661066381.db2.gz RBSLUJXWQHRHMC-CQSZACIVSA-N -1 0 352.372 -0.214 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)c1 ZINC000819095713 661066359 /nfs/dbraw/zinc/06/63/59/661066359.db2.gz ZJKWZFYQDVEFBI-CYBMUJFWSA-N -1 0 353.360 -0.913 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1 ZINC000819095715 661066255 /nfs/dbraw/zinc/06/62/55/661066255.db2.gz ZJKWZFYQDVEFBI-ZDUSSCGKSA-N -1 0 353.360 -0.913 20 0 FBADRM COC1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000819096668 661066270 /nfs/dbraw/zinc/06/62/70/661066270.db2.gz DERRPPVXRFLUEZ-UHFFFAOYSA-N -1 0 367.387 -0.083 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCC(OC)(C(=O)[O-])CC1 ZINC000819096827 661066394 /nfs/dbraw/zinc/06/63/94/661066394.db2.gz JJBPBSXJQQTKHB-UHFFFAOYSA-N -1 0 354.425 -0.608 20 0 FBADRM COC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000819097158 661066314 /nfs/dbraw/zinc/06/63/14/661066314.db2.gz QFDPJYSIMFZGGZ-UHFFFAOYSA-N -1 0 367.387 -0.083 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cn1 ZINC000819097843 661066399 /nfs/dbraw/zinc/06/63/99/661066399.db2.gz OZYPOVFPDGHLQM-LLVKDONJSA-N -1 0 357.388 -0.069 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cn1 ZINC000819097845 661066346 /nfs/dbraw/zinc/06/63/46/661066346.db2.gz OZYPOVFPDGHLQM-NSHDSACASA-N -1 0 357.388 -0.069 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCC(OC)(C(=O)[O-])CC2)cn1 ZINC000819099966 661066229 /nfs/dbraw/zinc/06/62/29/661066229.db2.gz KXUXZVXMJGYLGL-UHFFFAOYSA-N -1 0 361.376 -0.690 20 0 FBADRM O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)CCOCC1CCCC1 ZINC000819101213 661066324 /nfs/dbraw/zinc/06/63/24/661066324.db2.gz PQKDJPBEGQLDTJ-AWEZNQCLSA-N -1 0 364.464 -0.102 20 0 FBADRM O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)CCOCC1CCCC1 ZINC000819101214 661066337 /nfs/dbraw/zinc/06/63/37/661066337.db2.gz PQKDJPBEGQLDTJ-CQSZACIVSA-N -1 0 364.464 -0.102 20 0 FBADRM O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)CCOCc1ccccc1 ZINC000819101292 661066397 /nfs/dbraw/zinc/06/63/97/661066397.db2.gz QPVJMQVJCHPEIT-HNNXBMFYSA-N -1 0 372.443 -0.092 20 0 FBADRM O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)CCOCc1ccccc1 ZINC000819101293 661066310 /nfs/dbraw/zinc/06/63/10/661066310.db2.gz QPVJMQVJCHPEIT-OAHLLOKOSA-N -1 0 372.443 -0.092 20 0 FBADRM O=C([O-])C[C@@]1(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)CCCOC1 ZINC000819107476 661066295 /nfs/dbraw/zinc/06/62/95/661066295.db2.gz ITSHWKUPVFKSLJ-AWEZNQCLSA-N -1 0 367.387 -0.036 20 0 FBADRM O=C([O-])C[C@]1(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)CCCOC1 ZINC000819107477 661066362 /nfs/dbraw/zinc/06/63/62/661066362.db2.gz ITSHWKUPVFKSLJ-CQSZACIVSA-N -1 0 367.387 -0.036 20 0 FBADRM O=C([O-])C[C@@]1(NS(=O)(=O)c2cccc(-n3cnnn3)c2)CCCOC1 ZINC000819108068 661066327 /nfs/dbraw/zinc/06/63/27/661066327.db2.gz VRHANLVNSQNVIR-AWEZNQCLSA-N -1 0 367.387 -0.036 20 0 FBADRM O=C([O-])C[C@]1(NS(=O)(=O)c2cccc(-n3cnnn3)c2)CCCOC1 ZINC000819108069 661066393 /nfs/dbraw/zinc/06/63/93/661066393.db2.gz VRHANLVNSQNVIR-CQSZACIVSA-N -1 0 367.387 -0.036 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC000819108136 661066367 /nfs/dbraw/zinc/06/63/67/661066367.db2.gz YBQDEHVGOFLJLV-CYBMUJFWSA-N -1 0 354.425 -0.561 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC000819108137 661066299 /nfs/dbraw/zinc/06/62/99/661066299.db2.gz YBQDEHVGOFLJLV-ZDUSSCGKSA-N -1 0 354.425 -0.561 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@]2(CC(=O)[O-])CCCOC2)cn1C ZINC000819108151 661066389 /nfs/dbraw/zinc/06/63/89/661066389.db2.gz YIJMTKMPGHUMHO-AWEZNQCLSA-N -1 0 359.404 -0.313 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCCOC2)cn1C ZINC000819108152 661066369 /nfs/dbraw/zinc/06/63/69/661066369.db2.gz YIJMTKMPGHUMHO-CQSZACIVSA-N -1 0 359.404 -0.313 20 0 FBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CC1CC(F)(F)C1 ZINC000819108414 661066275 /nfs/dbraw/zinc/06/62/75/661066275.db2.gz DNHAOJDOIBAJAS-SECBINFHSA-N -1 0 361.388 -0.065 20 0 FBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CC1CC(F)(F)C1 ZINC000819108415 661066563 /nfs/dbraw/zinc/06/65/63/661066563.db2.gz DNHAOJDOIBAJAS-VIFPVBQESA-N -1 0 361.388 -0.065 20 0 FBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CC[C@H]1CCOC1 ZINC000819109146 661066561 /nfs/dbraw/zinc/06/65/61/661066561.db2.gz UKHWTHJINLSOQU-GHMZBOCLSA-N -1 0 355.434 -0.684 20 0 FBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CC[C@H]1CCOC1 ZINC000819109147 661066620 /nfs/dbraw/zinc/06/66/20/661066620.db2.gz UKHWTHJINLSOQU-MNOVXSKESA-N -1 0 355.434 -0.684 20 0 FBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CC[C@@H]1CCOC1 ZINC000819109148 661066497 /nfs/dbraw/zinc/06/64/97/661066497.db2.gz UKHWTHJINLSOQU-QWRGUYRKSA-N -1 0 355.434 -0.684 20 0 FBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CC[C@@H]1CCOC1 ZINC000819109149 661066614 /nfs/dbraw/zinc/06/66/14/661066614.db2.gz UKHWTHJINLSOQU-WDEREUQCSA-N -1 0 355.434 -0.684 20 0 FBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c[nH]nc1Cl ZINC000819109574 661066576 /nfs/dbraw/zinc/06/65/76/661066576.db2.gz XBQPUUVKAQRQDS-LURJTMIESA-N -1 0 357.797 -0.675 20 0 FBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c[nH]nc1Cl ZINC000819109575 661066535 /nfs/dbraw/zinc/06/65/35/661066535.db2.gz XBQPUUVKAQRQDS-ZCFIWIBFSA-N -1 0 357.797 -0.675 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)O1 ZINC000819110922 597029146 /nfs/dbraw/zinc/02/91/46/597029146.db2.gz FDROZZAQGRENES-BNOWGMLFSA-N -1 0 360.370 -0.145 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)O1 ZINC000819110926 597029149 /nfs/dbraw/zinc/02/91/49/597029149.db2.gz FDROZZAQGRENES-UBHSHLNASA-N -1 0 360.370 -0.145 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)O1 ZINC000819110928 597028890 /nfs/dbraw/zinc/02/88/90/597028890.db2.gz FDROZZAQGRENES-XBFCOCLRSA-N -1 0 360.370 -0.145 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)O1 ZINC000819110930 597028899 /nfs/dbraw/zinc/02/88/99/597028899.db2.gz FDROZZAQGRENES-YUTCNCBUSA-N -1 0 360.370 -0.145 20 0 FBADRM NC(=O)[C@H]1CC(C(=O)OCc2cn(CC(=O)[O-])nn2)=NN1c1ccccc1 ZINC000819111249 597124077 /nfs/dbraw/zinc/12/40/77/597124077.db2.gz PBPSMZNPPCXNJC-CYBMUJFWSA-N -1 0 372.341 -0.474 20 0 FBADRM NC(=O)[C@@H]1CC(C(=O)OCc2cn(CC(=O)[O-])nn2)=NN1c1ccccc1 ZINC000819111251 597124051 /nfs/dbraw/zinc/12/40/51/597124051.db2.gz PBPSMZNPPCXNJC-ZDUSSCGKSA-N -1 0 372.341 -0.474 20 0 FBADRM NC(=O)C1(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CCOCC1 ZINC000819111378 597277713 /nfs/dbraw/zinc/27/77/13/597277713.db2.gz SDJNLMSUJUNKJJ-CYBMUJFWSA-N -1 0 360.370 -0.143 20 0 FBADRM NC(=O)C1(NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CCOCC1 ZINC000819111380 597277706 /nfs/dbraw/zinc/27/77/06/597277706.db2.gz SDJNLMSUJUNKJJ-ZDUSSCGKSA-N -1 0 360.370 -0.143 20 0 FBADRM NC(=O)C1(CNC(=O)C(=O)Nc2ccccc2CC(=O)[O-])CCOCC1 ZINC000819111420 597348943 /nfs/dbraw/zinc/34/89/43/597348943.db2.gz UFWIQLHIGWPFPN-UHFFFAOYSA-N -1 0 363.370 -0.350 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)CC[C@H]3CCOC3)C2)C1 ZINC000819115295 661066539 /nfs/dbraw/zinc/06/65/39/661066539.db2.gz HSBTYEDOXHRUBN-JHJVBQTASA-N -1 0 360.432 -0.250 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)CC[C@H]3CCOC3)C2)C1 ZINC000819115296 661066559 /nfs/dbraw/zinc/06/65/59/661066559.db2.gz HSBTYEDOXHRUBN-UPJWGTAASA-N -1 0 360.432 -0.250 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)CC[C@@H]3CCOC3)C2)C1 ZINC000819115297 661066616 /nfs/dbraw/zinc/06/66/16/661066616.db2.gz HSBTYEDOXHRUBN-XQQFMLRXSA-N -1 0 360.432 -0.250 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)CC[C@@H]3CCOC3)C2)C1 ZINC000819115298 661066505 /nfs/dbraw/zinc/06/65/05/661066505.db2.gz HSBTYEDOXHRUBN-YNEHKIRRSA-N -1 0 360.432 -0.250 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)c3c[nH]nc3Cl)C2)C1 ZINC000819115770 661066542 /nfs/dbraw/zinc/06/65/42/661066542.db2.gz PLSMUPNXMPRBJX-HTQZYQBOSA-N -1 0 362.795 -0.241 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)c3c[nH]nc3Cl)C2)C1 ZINC000819115771 661066657 /nfs/dbraw/zinc/06/66/57/661066657.db2.gz PLSMUPNXMPRBJX-JGVFFNPUSA-N -1 0 362.795 -0.241 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)c3c[nH]nc3Cl)C2)C1 ZINC000819115772 661066606 /nfs/dbraw/zinc/06/66/06/661066606.db2.gz PLSMUPNXMPRBJX-SFYZADRCSA-N -1 0 362.795 -0.241 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)c3c[nH]nc3Cl)C2)C1 ZINC000819115773 661066488 /nfs/dbraw/zinc/06/64/88/661066488.db2.gz PLSMUPNXMPRBJX-YUMQZZPRSA-N -1 0 362.795 -0.241 20 0 FBADRM NC(=O)CCOc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000819116826 601337613 /nfs/dbraw/zinc/33/76/13/601337613.db2.gz AJVCABHDJUYBPT-GFCCVEGCSA-N -1 0 365.342 -0.809 20 0 FBADRM NC(=O)CCOc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000819116827 601337625 /nfs/dbraw/zinc/33/76/25/601337625.db2.gz AJVCABHDJUYBPT-LBPRGKRZSA-N -1 0 365.342 -0.809 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000819116878 597142786 /nfs/dbraw/zinc/14/27/86/597142786.db2.gz FLTAVDKXKAGUAZ-UHFFFAOYSA-N -1 0 354.384 -0.118 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)o1 ZINC000819117101 597097127 /nfs/dbraw/zinc/09/71/27/597097127.db2.gz XNYRFJKSMUNBFU-SECBINFHSA-N -1 0 373.387 -0.630 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)o1 ZINC000819117102 597097136 /nfs/dbraw/zinc/09/71/36/597097136.db2.gz XNYRFJKSMUNBFU-VIFPVBQESA-N -1 0 373.387 -0.630 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(C(=O)OC)n(C)c2)C1 ZINC000819117262 661066525 /nfs/dbraw/zinc/06/65/25/661066525.db2.gz CUPQRNBRNSZXNY-AWEZNQCLSA-N -1 0 360.388 -0.077 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(C(=O)OC)n(C)c2)C1 ZINC000819117263 661066598 /nfs/dbraw/zinc/06/65/98/661066598.db2.gz CUPQRNBRNSZXNY-CQSZACIVSA-N -1 0 360.388 -0.077 20 0 FBADRM NS(=O)(=O)CCCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000819124812 597283101 /nfs/dbraw/zinc/28/31/01/597283101.db2.gz TUFGSFYVRXWQMF-GFCCVEGCSA-N -1 0 355.372 -0.072 20 0 FBADRM NS(=O)(=O)CCCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000819124813 597283286 /nfs/dbraw/zinc/28/32/86/597283286.db2.gz TUFGSFYVRXWQMF-LBPRGKRZSA-N -1 0 355.372 -0.072 20 0 FBADRM NS(=O)(=O)c1ccc(N2CCN(C(=O)NCCC(=O)[O-])CC2)cc1 ZINC000819130538 597223764 /nfs/dbraw/zinc/22/37/64/597223764.db2.gz CHZBMMWVMFHEQG-UHFFFAOYSA-N -1 0 356.404 -0.360 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NCCCC(=O)[O-] ZINC000819130550 597275053 /nfs/dbraw/zinc/27/50/53/597275053.db2.gz FHJSRJBJDXMVPK-UHFFFAOYSA-N -1 0 357.344 -0.777 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000819130598 597115493 /nfs/dbraw/zinc/11/54/93/597115493.db2.gz KGHKHFGZJQLFOD-JTQLQIEISA-N -1 0 369.399 -0.014 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000819130599 597115545 /nfs/dbraw/zinc/11/55/45/597115545.db2.gz KGHKHFGZJQLFOD-SNVBAGLBSA-N -1 0 369.399 -0.014 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000819130967 597500206 /nfs/dbraw/zinc/50/02/06/597500206.db2.gz UTJFMTXNTRDFEX-MRVPVSSYSA-N -1 0 369.355 -0.825 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000819130968 597500187 /nfs/dbraw/zinc/50/01/87/597500187.db2.gz UTJFMTXNTRDFEX-QMMMGPOBSA-N -1 0 369.355 -0.825 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000819131012 597113954 /nfs/dbraw/zinc/11/39/54/597113954.db2.gz YWTOCPFLPJIMDW-JTQLQIEISA-N -1 0 369.399 -0.014 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000819131013 597114035 /nfs/dbraw/zinc/11/40/35/597114035.db2.gz YWTOCPFLPJIMDW-SNVBAGLBSA-N -1 0 369.399 -0.014 20 0 FBADRM O=C([O-])[C@H]1CN(CC(=O)Nc2cc(-n3cnnn3)ccc2F)CCO1 ZINC000819159601 602201875 /nfs/dbraw/zinc/20/18/75/602201875.db2.gz MTIIWQRHIMTKLM-GFCCVEGCSA-N -1 0 350.310 -0.475 20 0 FBADRM O=C([O-])[C@@H]1CN(CC(=O)Nc2cc(-n3cnnn3)ccc2F)CCO1 ZINC000819159602 602202033 /nfs/dbraw/zinc/20/20/33/602202033.db2.gz MTIIWQRHIMTKLM-LBPRGKRZSA-N -1 0 350.310 -0.475 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)c2cnn(CC(=O)NC3CCCC3)c2)CCO1 ZINC000819170338 604543298 /nfs/dbraw/zinc/54/32/98/604543298.db2.gz CIEBODDNUKFNMG-CYBMUJFWSA-N -1 0 350.375 -0.133 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)c2cnn(CC(=O)NC3CCCC3)c2)CCO1 ZINC000819170340 604543369 /nfs/dbraw/zinc/54/33/69/604543369.db2.gz CIEBODDNUKFNMG-ZDUSSCGKSA-N -1 0 350.375 -0.133 20 0 FBADRM O=C([O-])C1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 ZINC000819170476 597260629 /nfs/dbraw/zinc/26/06/29/597260629.db2.gz XELNUERRNAFDEX-UHFFFAOYSA-N -1 0 363.374 -0.577 20 0 FBADRM O=C([O-])c1ccc(CNC(=O)NCCS(=O)(=O)N2CCOCC2)cc1 ZINC000819181573 597217884 /nfs/dbraw/zinc/21/78/84/597217884.db2.gz FLHIWAPESCRSHI-UHFFFAOYSA-N -1 0 371.415 -0.154 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)C1 ZINC000819214514 601160081 /nfs/dbraw/zinc/16/00/81/601160081.db2.gz BSYCSWMAESEVRL-LLVKDONJSA-N -1 0 374.353 -0.390 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)C1 ZINC000819214516 601159994 /nfs/dbraw/zinc/15/99/94/601159994.db2.gz BSYCSWMAESEVRL-NSHDSACASA-N -1 0 374.353 -0.390 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CCO1 ZINC000819214606 602125728 /nfs/dbraw/zinc/12/57/28/602125728.db2.gz HYNZRJFVHFRGIK-LLVKDONJSA-N -1 0 368.367 -0.733 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CCO1 ZINC000819214610 602125673 /nfs/dbraw/zinc/12/56/73/602125673.db2.gz HYNZRJFVHFRGIK-NSHDSACASA-N -1 0 368.367 -0.733 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC000819214946 601160100 /nfs/dbraw/zinc/16/01/00/601160100.db2.gz RKLHBJNQLMIGHJ-LLVKDONJSA-N -1 0 374.353 -0.390 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC000819214950 601159945 /nfs/dbraw/zinc/15/99/45/601159945.db2.gz RKLHBJNQLMIGHJ-NSHDSACASA-N -1 0 374.353 -0.390 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C1 ZINC000819215031 602121680 /nfs/dbraw/zinc/12/16/80/602121680.db2.gz VYJYEKRQGVAYEP-JTQLQIEISA-N -1 0 352.368 -0.112 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C1 ZINC000819215033 602121683 /nfs/dbraw/zinc/12/16/83/602121683.db2.gz VYJYEKRQGVAYEP-SNVBAGLBSA-N -1 0 352.368 -0.112 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CCO1 ZINC000819219314 601854126 /nfs/dbraw/zinc/85/41/26/601854126.db2.gz HYDNIZXGTYTQJF-NEPJUHHUSA-N -1 0 352.347 -0.687 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CCO1 ZINC000819219317 601854191 /nfs/dbraw/zinc/85/41/91/601854191.db2.gz HYDNIZXGTYTQJF-NWDGAFQWSA-N -1 0 352.347 -0.687 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CCO1 ZINC000819219319 601854292 /nfs/dbraw/zinc/85/42/92/601854292.db2.gz HYDNIZXGTYTQJF-RYUDHWBXSA-N -1 0 352.347 -0.687 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CCO1 ZINC000819219321 601854108 /nfs/dbraw/zinc/85/41/08/601854108.db2.gz HYDNIZXGTYTQJF-VXGBXAGGSA-N -1 0 352.347 -0.687 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccccn3)n2)CCO1 ZINC000819219575 602285928 /nfs/dbraw/zinc/28/59/28/602285928.db2.gz KMYQUVGWXSJLDF-GFCCVEGCSA-N -1 0 359.342 -0.423 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccccn3)n2)CCO1 ZINC000819219578 602285835 /nfs/dbraw/zinc/28/58/35/602285835.db2.gz KMYQUVGWXSJLDF-LBPRGKRZSA-N -1 0 359.342 -0.423 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(F)(F)F)c2)CCO1 ZINC000819219618 601855907 /nfs/dbraw/zinc/85/59/07/601855907.db2.gz MWVLEKWALZCDDV-MRVPVSSYSA-N -1 0 350.253 -0.304 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(F)(F)F)c2)CCO1 ZINC000819219619 601855867 /nfs/dbraw/zinc/85/58/67/601855867.db2.gz MWVLEKWALZCDDV-QMMMGPOBSA-N -1 0 350.253 -0.304 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)CCO1 ZINC000819219993 602285795 /nfs/dbraw/zinc/28/57/95/602285795.db2.gz VSHXBSNVTXCYBE-CYBMUJFWSA-N -1 0 373.369 -0.229 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)CCO1 ZINC000819219995 602285724 /nfs/dbraw/zinc/28/57/24/602285724.db2.gz VSHXBSNVTXCYBE-ZDUSSCGKSA-N -1 0 373.369 -0.229 20 0 FBADRM O=C([O-])[C@H]1CC(C(=O)N2CCN3C(=O)NC[C@H]3C2)=NN1c1ccccc1 ZINC000819225097 596935846 /nfs/dbraw/zinc/93/58/46/596935846.db2.gz IIRNXVSONAKRAP-GXTWGEPZSA-N -1 0 357.370 -0.058 20 0 FBADRM O=C([O-])[C@@H]1CC(C(=O)N2CCN3C(=O)NC[C@H]3C2)=NN1c1ccccc1 ZINC000819225100 596935571 /nfs/dbraw/zinc/93/55/71/596935571.db2.gz IIRNXVSONAKRAP-JSGCOSHPSA-N -1 0 357.370 -0.058 20 0 FBADRM O=C([O-])[C@@H]1CC(C(=O)N2CCN3C(=O)NC[C@@H]3C2)=NN1c1ccccc1 ZINC000819225103 596935809 /nfs/dbraw/zinc/93/58/09/596935809.db2.gz IIRNXVSONAKRAP-OCCSQVGLSA-N -1 0 357.370 -0.058 20 0 FBADRM O=C([O-])[C@H]1CC(C(=O)N2CCN3C(=O)NC[C@@H]3C2)=NN1c1ccccc1 ZINC000819225105 596935601 /nfs/dbraw/zinc/93/56/01/596935601.db2.gz IIRNXVSONAKRAP-TZMCWYRMSA-N -1 0 357.370 -0.058 20 0 FBADRM O=C([O-])[C@H]1CCCN1C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000819225118 602183887 /nfs/dbraw/zinc/18/38/87/602183887.db2.gz JZOXZMUYBUCQGN-CYBMUJFWSA-N -1 0 361.402 -0.019 20 0 FBADRM O=C([O-])[C@@H]1CCCN1C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000819225119 602183933 /nfs/dbraw/zinc/18/39/33/602183933.db2.gz JZOXZMUYBUCQGN-ZDUSSCGKSA-N -1 0 361.402 -0.019 20 0 FBADRM O=C([O-])[C@H]1CCCN1C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000819225233 597494092 /nfs/dbraw/zinc/49/40/92/597494092.db2.gz ZUYLMXFPISDZJX-GXSJLCMTSA-N -1 0 357.388 -0.773 20 0 FBADRM O=C([O-])[C@H]1CCCN1C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000819225235 597494169 /nfs/dbraw/zinc/49/41/69/597494169.db2.gz ZUYLMXFPISDZJX-MWLCHTKSSA-N -1 0 357.388 -0.773 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CCCN(CC(N)=O)CC2)c1 ZINC000819240425 661067041 /nfs/dbraw/zinc/06/70/41/661067041.db2.gz AQJREHSXKXCNSN-DEOSSOPVSA-N -1 0 353.444 -0.178 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CCCN(CC(N)=O)CC2)c1 ZINC000819240430 661066990 /nfs/dbraw/zinc/06/69/90/661066990.db2.gz AQJREHSXKXCNSN-XMMPIXPASA-N -1 0 353.444 -0.178 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000819244390 597495247 /nfs/dbraw/zinc/49/52/47/597495247.db2.gz XKEVJMLMLHIBRB-NXEZZACHSA-N -1 0 357.388 -0.915 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000819244392 597495178 /nfs/dbraw/zinc/49/51/78/597495178.db2.gz XKEVJMLMLHIBRB-UWVGGRQHSA-N -1 0 357.388 -0.915 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000819244394 597495190 /nfs/dbraw/zinc/49/51/90/597495190.db2.gz XKEVJMLMLHIBRB-VHSXEESVSA-N -1 0 357.388 -0.915 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000819244396 597495211 /nfs/dbraw/zinc/49/52/11/597495211.db2.gz XKEVJMLMLHIBRB-ZJUUUORDSA-N -1 0 357.388 -0.915 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000819248713 602189470 /nfs/dbraw/zinc/18/94/70/602189470.db2.gz FANNZDOWDMBRAO-CYBMUJFWSA-N -1 0 361.402 -0.162 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000819248714 602189440 /nfs/dbraw/zinc/18/94/40/602189440.db2.gz FANNZDOWDMBRAO-ZDUSSCGKSA-N -1 0 361.402 -0.162 20 0 FBADRM O=C([O-])C1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000819258259 596917574 /nfs/dbraw/zinc/91/75/74/596917574.db2.gz XXQFBPJYIKJMEU-UHFFFAOYSA-N -1 0 360.392 -0.400 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000819271207 601314375 /nfs/dbraw/zinc/31/43/75/601314375.db2.gz RUAICQITNFSDKD-LLVKDONJSA-N -1 0 351.363 -0.320 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000819271208 601314255 /nfs/dbraw/zinc/31/42/55/601314255.db2.gz RUAICQITNFSDKD-NSHDSACASA-N -1 0 351.363 -0.320 20 0 FBADRM O=C([O-])[C@@H]1CCN(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000819280834 661067272 /nfs/dbraw/zinc/06/72/72/661067272.db2.gz BUBUQXQLZOKNRZ-HZSPNIEDSA-N -1 0 374.459 -0.412 20 0 FBADRM O=C([O-])[C@@H]1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000819280835 661067243 /nfs/dbraw/zinc/06/72/43/661067243.db2.gz BUBUQXQLZOKNRZ-MCIONIFRSA-N -1 0 374.459 -0.412 20 0 FBADRM O=C([O-])[C@@H]1CCN(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000819280836 661067193 /nfs/dbraw/zinc/06/71/93/661067193.db2.gz BUBUQXQLZOKNRZ-MGPQQGTHSA-N -1 0 374.459 -0.412 20 0 FBADRM O=C([O-])[C@@H]1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000819280837 661067265 /nfs/dbraw/zinc/06/72/65/661067265.db2.gz BUBUQXQLZOKNRZ-RDBSUJKOSA-N -1 0 374.459 -0.412 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CCO1 ZINC000819299750 597370139 /nfs/dbraw/zinc/37/01/39/597370139.db2.gz QJLUNUOSSJVQOQ-NEPJUHHUSA-N -1 0 364.358 -0.511 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CCO1 ZINC000819299751 597370692 /nfs/dbraw/zinc/37/06/92/597370692.db2.gz QJLUNUOSSJVQOQ-NWDGAFQWSA-N -1 0 364.358 -0.511 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CCO1 ZINC000819299752 597370178 /nfs/dbraw/zinc/37/01/78/597370178.db2.gz QJLUNUOSSJVQOQ-RYUDHWBXSA-N -1 0 364.358 -0.511 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CCO1 ZINC000819299753 597370285 /nfs/dbraw/zinc/37/02/85/597370285.db2.gz QJLUNUOSSJVQOQ-VXGBXAGGSA-N -1 0 364.358 -0.511 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)CCO1 ZINC000819299758 597382282 /nfs/dbraw/zinc/38/22/82/597382282.db2.gz UKEDAJLJKQXJRC-LLVKDONJSA-N -1 0 361.362 -0.952 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)CCO1 ZINC000819299759 597382162 /nfs/dbraw/zinc/38/21/62/597382162.db2.gz UKEDAJLJKQXJRC-NSHDSACASA-N -1 0 361.362 -0.952 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CCO1 ZINC000819310626 601556670 /nfs/dbraw/zinc/55/66/70/601556670.db2.gz PVHHCLYACOATCD-GFCCVEGCSA-N -1 0 361.420 -0.562 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CCO1 ZINC000819310627 601556772 /nfs/dbraw/zinc/55/67/72/601556772.db2.gz PVHHCLYACOATCD-LBPRGKRZSA-N -1 0 361.420 -0.562 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NCCOCCS(C)(=O)=O)c1 ZINC000819314203 661067389 /nfs/dbraw/zinc/06/73/89/661067389.db2.gz UGFXYNBKPBQOBE-JOCHJYFZSA-N -1 0 363.457 -0.020 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NCCOCCS(C)(=O)=O)c1 ZINC000819314204 661067395 /nfs/dbraw/zinc/06/73/95/661067395.db2.gz UGFXYNBKPBQOBE-QFIPXVFZSA-N -1 0 363.457 -0.020 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Nc2cnn(CCN3CCOCC3)c2)CCO1 ZINC000819319719 601314356 /nfs/dbraw/zinc/31/43/56/601314356.db2.gz FKVNYDRCUMNPAN-CYBMUJFWSA-N -1 0 353.379 -0.467 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2cnn(CCN3CCOCC3)c2)CCO1 ZINC000819319720 601314295 /nfs/dbraw/zinc/31/42/95/601314295.db2.gz FKVNYDRCUMNPAN-ZDUSSCGKSA-N -1 0 353.379 -0.467 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Nc2ccn(CCN3CCOCC3)n2)CCO1 ZINC000819319741 601068889 /nfs/dbraw/zinc/06/88/89/601068889.db2.gz LNWARVONHYTODX-GFCCVEGCSA-N -1 0 353.379 -0.467 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccn(CCN3CCOCC3)n2)CCO1 ZINC000819319742 601068868 /nfs/dbraw/zinc/06/88/68/601068868.db2.gz LNWARVONHYTODX-LBPRGKRZSA-N -1 0 353.379 -0.467 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CCO1 ZINC000819319783 601314344 /nfs/dbraw/zinc/31/43/44/601314344.db2.gz YYWIPBKCQXSCAF-GFCCVEGCSA-N -1 0 367.362 -0.941 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CCO1 ZINC000819319784 601314368 /nfs/dbraw/zinc/31/43/68/601314368.db2.gz YYWIPBKCQXSCAF-LBPRGKRZSA-N -1 0 367.362 -0.941 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000819344374 597093263 /nfs/dbraw/zinc/09/32/63/597093263.db2.gz JPRZKFUKIJEDFA-AVGNSLFASA-N -1 0 372.443 -0.265 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000819344375 597093198 /nfs/dbraw/zinc/09/31/98/597093198.db2.gz JPRZKFUKIJEDFA-RWMBFGLXSA-N -1 0 372.443 -0.265 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000819344376 597093239 /nfs/dbraw/zinc/09/32/39/597093239.db2.gz JPRZKFUKIJEDFA-XQQFMLRXSA-N -1 0 372.443 -0.265 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000819344377 597093034 /nfs/dbraw/zinc/09/30/34/597093034.db2.gz JPRZKFUKIJEDFA-YNEHKIRRSA-N -1 0 372.443 -0.265 20 0 FBADRM O=C([O-])C[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000819344545 597103980 /nfs/dbraw/zinc/10/39/80/597103980.db2.gz RLTMMGYNIUAEFO-CABCVRRESA-N -1 0 367.446 -0.120 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000819344547 597104205 /nfs/dbraw/zinc/10/42/05/597104205.db2.gz RLTMMGYNIUAEFO-GJZGRUSLSA-N -1 0 367.446 -0.120 20 0 FBADRM O=C([O-])C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000819344548 597104023 /nfs/dbraw/zinc/10/40/23/597104023.db2.gz RLTMMGYNIUAEFO-HUUCEWRRSA-N -1 0 367.446 -0.120 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000819344551 597104101 /nfs/dbraw/zinc/10/41/01/597104101.db2.gz RLTMMGYNIUAEFO-LSDHHAIUSA-N -1 0 367.446 -0.120 20 0 FBADRM O=C([O-])C[C@H]1CCCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000819357595 597064497 /nfs/dbraw/zinc/06/44/97/597064497.db2.gz HNIABDLGEOUMJX-LLVKDONJSA-N -1 0 374.419 -0.010 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000819357596 597064739 /nfs/dbraw/zinc/06/47/39/597064739.db2.gz HNIABDLGEOUMJX-NSHDSACASA-N -1 0 374.419 -0.010 20 0 FBADRM O=C([O-])C[C@H]1CCCN(C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000819357923 597059290 /nfs/dbraw/zinc/05/92/90/597059290.db2.gz ORQSOEBTUVFVKN-GFCCVEGCSA-N -1 0 363.436 -0.455 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000819357927 597059494 /nfs/dbraw/zinc/05/94/94/597059494.db2.gz ORQSOEBTUVFVKN-LBPRGKRZSA-N -1 0 363.436 -0.455 20 0 FBADRM O=C([O-])C[C@H]1CCCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000819375398 597082411 /nfs/dbraw/zinc/08/24/11/597082411.db2.gz NTKNVSCJPMJCTC-GHMZBOCLSA-N -1 0 361.420 -0.814 20 0 FBADRM O=C([O-])C[C@H]1CCCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000819375415 597081973 /nfs/dbraw/zinc/08/19/73/597081973.db2.gz NTKNVSCJPMJCTC-MNOVXSKESA-N -1 0 361.420 -0.814 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000819375417 597082161 /nfs/dbraw/zinc/08/21/61/597082161.db2.gz NTKNVSCJPMJCTC-QWRGUYRKSA-N -1 0 361.420 -0.814 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000819375420 597082503 /nfs/dbraw/zinc/08/25/03/597082503.db2.gz NTKNVSCJPMJCTC-WDEREUQCSA-N -1 0 361.420 -0.814 20 0 FBADRM O=C([O-])CCCCCNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000819390561 597153169 /nfs/dbraw/zinc/15/31/69/597153169.db2.gz IMODCDCZZCZRIK-NEPJUHHUSA-N -1 0 360.432 -0.217 20 0 FBADRM O=C([O-])CCCCCNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000819390564 597153210 /nfs/dbraw/zinc/15/32/10/597153210.db2.gz IMODCDCZZCZRIK-NWDGAFQWSA-N -1 0 360.432 -0.217 20 0 FBADRM O=C([O-])CCCCCNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000819390566 597153155 /nfs/dbraw/zinc/15/31/55/597153155.db2.gz IMODCDCZZCZRIK-RYUDHWBXSA-N -1 0 360.432 -0.217 20 0 FBADRM O=C([O-])CCCCCNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000819390567 597152900 /nfs/dbraw/zinc/15/29/00/597152900.db2.gz IMODCDCZZCZRIK-VXGBXAGGSA-N -1 0 360.432 -0.217 20 0 FBADRM O=C([O-])CCCCCNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000819390717 597153277 /nfs/dbraw/zinc/15/32/77/597153277.db2.gz UFBWJDGCNVJRMV-LLVKDONJSA-N -1 0 373.431 -0.087 20 0 FBADRM O=C([O-])CCCCCNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000819390720 597153279 /nfs/dbraw/zinc/15/32/79/597153279.db2.gz UFBWJDGCNVJRMV-NSHDSACASA-N -1 0 373.431 -0.087 20 0 FBADRM O=C([O-])CCCCCNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000819394486 597302953 /nfs/dbraw/zinc/30/29/53/597302953.db2.gz BNHIIJICQAEZNR-UHFFFAOYSA-N -1 0 353.383 -0.828 20 0 FBADRM O=C([O-])CCCCCNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000819394611 597236098 /nfs/dbraw/zinc/23/60/98/597236098.db2.gz JDMXQMIIXCEKON-UHFFFAOYSA-N -1 0 370.450 -0.183 20 0 FBADRM O=C([O-])CCCCCNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000819394743 597235714 /nfs/dbraw/zinc/23/57/14/597235714.db2.gz RLHQXLMZBLZBPZ-UHFFFAOYSA-N -1 0 370.450 -0.183 20 0 FBADRM O=C([O-])CCCCCNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000819394795 597234867 /nfs/dbraw/zinc/23/48/67/597234867.db2.gz ZNADAJTUKAGAAT-UHFFFAOYSA-N -1 0 354.407 -0.236 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000819413738 601166987 /nfs/dbraw/zinc/16/69/87/601166987.db2.gz KECBBECOIRUOJZ-UHFFFAOYSA-N -1 0 362.342 -0.342 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000819413739 601166880 /nfs/dbraw/zinc/16/68/80/601166880.db2.gz LOSTXIPDNXLOPX-UHFFFAOYSA-N -1 0 362.342 -0.342 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000819473275 604866037 /nfs/dbraw/zinc/86/60/37/604866037.db2.gz JNHADDSMGVKGBK-UHFFFAOYSA-N -1 0 351.363 -0.529 20 0 FBADRM O=C([O-])CCNC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000819478068 597224400 /nfs/dbraw/zinc/22/44/00/597224400.db2.gz VUWHUYQMAWIIKJ-UHFFFAOYSA-N -1 0 364.406 -0.381 20 0 FBADRM O=C([O-])CCNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000819478069 597228355 /nfs/dbraw/zinc/22/83/55/597228355.db2.gz VWIPPOVTCGCEMS-UHFFFAOYSA-N -1 0 366.399 -0.063 20 0 FBADRM O=C([O-])CCNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000819484547 597289992 /nfs/dbraw/zinc/28/99/92/597289992.db2.gz MNCURCSGKJJIIN-UHFFFAOYSA-N -1 0 350.379 -0.711 20 0 FBADRM O=C([O-])CCNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000819484699 597221451 /nfs/dbraw/zinc/22/14/51/597221451.db2.gz RIKJAWBLTHILJM-UHFFFAOYSA-N -1 0 363.436 -0.267 20 0 FBADRM O=C([O-])CCNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000819490339 597211053 /nfs/dbraw/zinc/21/10/53/597211053.db2.gz ZQOXBIWJERFDOZ-UHFFFAOYSA-N -1 0 371.415 -0.019 20 0 FBADRM O=C([O-])CN(C(=O)Cn1ncn2nccc2c1=O)c1ccc2c(c1)OCO2 ZINC000819507642 597484790 /nfs/dbraw/zinc/48/47/90/597484790.db2.gz RSCVIUUIHJGZGH-UHFFFAOYSA-N -1 0 371.309 -0.263 20 0 FBADRM O=C([O-])CNC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC000819521145 597492723 /nfs/dbraw/zinc/49/27/23/597492723.db2.gz FRUKCZVBGSOMMU-UHFFFAOYSA-N -1 0 365.342 -0.937 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)[N-]OCC(C)(C)O)[C@H](C)O)cc1 ZINC000819542233 661068110 /nfs/dbraw/zinc/06/81/10/661068110.db2.gz QGVZEIISAHPBIJ-AAEUAGOBSA-N -1 0 360.432 -0.159 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[N-]OCC(C)(C)O)[C@@H](C)O)cc1 ZINC000819542234 661068136 /nfs/dbraw/zinc/06/81/36/661068136.db2.gz QGVZEIISAHPBIJ-DGCLKSJQSA-N -1 0 360.432 -0.159 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[N-]OCC(C)(C)O)[C@H](C)O)cc1 ZINC000819542235 661068030 /nfs/dbraw/zinc/06/80/30/661068030.db2.gz QGVZEIISAHPBIJ-WCQYABFASA-N -1 0 360.432 -0.159 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)[N-]OCC(C)(C)O)[C@@H](C)O)cc1 ZINC000819542236 661068087 /nfs/dbraw/zinc/06/80/87/661068087.db2.gz QGVZEIISAHPBIJ-YPMHNXCESA-N -1 0 360.432 -0.159 20 0 FBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)N2CCCS(=O)(=O)CC2)c1 ZINC000819543408 597136189 /nfs/dbraw/zinc/13/61/89/597136189.db2.gz OEZSODRCMRWCQC-UHFFFAOYSA-N -1 0 354.384 -0.101 20 0 FBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCS2(=O)=O)c1 ZINC000819547809 604421541 /nfs/dbraw/zinc/42/15/41/604421541.db2.gz AHWTXHACPPFFHA-GFCCVEGCSA-N -1 0 354.384 -0.054 20 0 FBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCS2(=O)=O)c1 ZINC000819547810 604421464 /nfs/dbraw/zinc/42/14/64/604421464.db2.gz AHWTXHACPPFFHA-LBPRGKRZSA-N -1 0 354.384 -0.054 20 0 FBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000819547835 602133979 /nfs/dbraw/zinc/13/39/79/602133979.db2.gz FZAXXSFCUKOXJM-GFCCVEGCSA-N -1 0 354.384 -0.054 20 0 FBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)c1 ZINC000819547836 602133945 /nfs/dbraw/zinc/13/39/45/602133945.db2.gz FZAXXSFCUKOXJM-LBPRGKRZSA-N -1 0 354.384 -0.054 20 0 FBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NC[C@H]2CCS(=O)(=O)C2)c1 ZINC000819547985 597243398 /nfs/dbraw/zinc/24/33/98/597243398.db2.gz RHGNXAIYXDWAKG-LLVKDONJSA-N -1 0 354.384 -0.197 20 0 FBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 ZINC000819547987 597243596 /nfs/dbraw/zinc/24/35/96/597243596.db2.gz RHGNXAIYXDWAKG-NSHDSACASA-N -1 0 354.384 -0.197 20 0 FBADRM CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cnc([O-])n(C)c1=O ZINC000819549980 661068339 /nfs/dbraw/zinc/06/83/39/661068339.db2.gz RJXJURCPINXACG-SECBINFHSA-N -1 0 356.379 -0.557 20 0 FBADRM CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cnc([O-])n(C)c1=O ZINC000819549983 661068385 /nfs/dbraw/zinc/06/83/85/661068385.db2.gz RJXJURCPINXACG-VIFPVBQESA-N -1 0 356.379 -0.557 20 0 FBADRM CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000819551255 661068620 /nfs/dbraw/zinc/06/86/20/661068620.db2.gz GDELYFLGDJJVQQ-MRVPVSSYSA-N -1 0 361.424 -0.054 20 0 FBADRM CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000819551256 661068557 /nfs/dbraw/zinc/06/85/57/661068557.db2.gz GDELYFLGDJJVQQ-QMMMGPOBSA-N -1 0 361.424 -0.054 20 0 FBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N1CCCS(=O)(=O)CC1 ZINC000819585787 601866455 /nfs/dbraw/zinc/86/64/55/601866455.db2.gz HUUPURYJAMBUEO-UHFFFAOYSA-N -1 0 354.384 -0.101 20 0 FBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000819585948 601472848 /nfs/dbraw/zinc/47/28/48/601472848.db2.gz NSYOIWOLZCUBGD-CYBMUJFWSA-N -1 0 373.369 -0.229 20 0 FBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000819585949 601472999 /nfs/dbraw/zinc/47/29/99/601472999.db2.gz NSYOIWOLZCUBGD-ZDUSSCGKSA-N -1 0 373.369 -0.229 20 0 FBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NCCCN1C(=O)CCC1=O ZINC000819592098 601473127 /nfs/dbraw/zinc/47/31/27/601473127.db2.gz DHYJHJCNCLRYOD-UHFFFAOYSA-N -1 0 361.354 -0.093 20 0 FBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000819592113 604421185 /nfs/dbraw/zinc/42/11/85/604421185.db2.gz FDHAXGSPZUXWDT-LLVKDONJSA-N -1 0 354.384 -0.054 20 0 FBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000819592114 604421405 /nfs/dbraw/zinc/42/14/05/604421405.db2.gz FDHAXGSPZUXWDT-NSHDSACASA-N -1 0 354.384 -0.054 20 0 FBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NCCCN1C(=O)CNC1=O ZINC000819592126 601471305 /nfs/dbraw/zinc/47/13/05/601471305.db2.gz FWVMRABOKPLEEA-UHFFFAOYSA-N -1 0 362.342 -0.690 20 0 FBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000819592140 601489688 /nfs/dbraw/zinc/48/96/88/601489688.db2.gz GRDIHOQNXSIBDK-LLVKDONJSA-N -1 0 354.384 -0.054 20 0 FBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000819592141 601489636 /nfs/dbraw/zinc/48/96/36/601489636.db2.gz GRDIHOQNXSIBDK-NSHDSACASA-N -1 0 354.384 -0.054 20 0 FBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000819592221 597346200 /nfs/dbraw/zinc/34/62/00/597346200.db2.gz KOCVUWRVXVNBMH-JTQLQIEISA-N -1 0 354.384 -0.197 20 0 FBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000819592222 597346450 /nfs/dbraw/zinc/34/64/50/597346450.db2.gz KOCVUWRVXVNBMH-SNVBAGLBSA-N -1 0 354.384 -0.197 20 0 FBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NCCC(=O)N1CCOCC1 ZINC000819592364 601467251 /nfs/dbraw/zinc/46/72/51/601467251.db2.gz QUTNYLNWWLRRRJ-UHFFFAOYSA-N -1 0 363.370 -0.383 20 0 FBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NCCN1CCCS1(=O)=O ZINC000819592528 601470341 /nfs/dbraw/zinc/47/03/41/601470341.db2.gz YSABRDYOAIZPTH-UHFFFAOYSA-N -1 0 369.399 -0.596 20 0 FBADRM O=C([O-])Cn1cc(COC(=O)CCn2nnc3ccccc3c2=O)nn1 ZINC000819626254 597124650 /nfs/dbraw/zinc/12/46/50/597124650.db2.gz MLDJORXKPWAAPD-UHFFFAOYSA-N -1 0 358.314 -0.399 20 0 FBADRM O=C([O-])[C@H]1CCCN1CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000819661614 597128238 /nfs/dbraw/zinc/12/82/38/597128238.db2.gz SNIIMJINDZKYSW-BFHYXJOUSA-N -1 0 374.459 -0.270 20 0 FBADRM O=C([O-])[C@H]1CCCN1CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000819661618 597127760 /nfs/dbraw/zinc/12/77/60/597127760.db2.gz SNIIMJINDZKYSW-HZSPNIEDSA-N -1 0 374.459 -0.270 20 0 FBADRM O=C([O-])[C@H]1CCCN1CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000819661620 597127951 /nfs/dbraw/zinc/12/79/51/597127951.db2.gz SNIIMJINDZKYSW-MELADBBJSA-N -1 0 374.459 -0.270 20 0 FBADRM O=C([O-])[C@H]1CCCN1CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000819661622 597127914 /nfs/dbraw/zinc/12/79/14/597127914.db2.gz SNIIMJINDZKYSW-MGPQQGTHSA-N -1 0 374.459 -0.270 20 0 FBADRM CCN=c1nc2[n-]nc(SCC(=O)N[C@@H]3CC[C@H]3O)n2c(NCC)n1 ZINC000819684289 661069552 /nfs/dbraw/zinc/06/95/52/661069552.db2.gz ZAYDSSXSCYZOGB-RKDXNWHRSA-N -1 0 366.451 -0.464 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)CCO1 ZINC000819691340 604643555 /nfs/dbraw/zinc/64/35/55/604643555.db2.gz IEWRKXMJKAWORD-AAEUAGOBSA-N -1 0 361.354 -0.459 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)CCO1 ZINC000819691341 604643430 /nfs/dbraw/zinc/64/34/30/604643430.db2.gz IEWRKXMJKAWORD-DGCLKSJQSA-N -1 0 361.354 -0.459 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)CCO1 ZINC000819691342 604643627 /nfs/dbraw/zinc/64/36/27/604643627.db2.gz IEWRKXMJKAWORD-WCQYABFASA-N -1 0 361.354 -0.459 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)CCO1 ZINC000819691343 604643703 /nfs/dbraw/zinc/64/37/03/604643703.db2.gz IEWRKXMJKAWORD-YPMHNXCESA-N -1 0 361.354 -0.459 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)C1 ZINC000819696238 597524697 /nfs/dbraw/zinc/52/46/97/597524697.db2.gz CIYWCQMUDBOTIK-LLVKDONJSA-N -1 0 360.370 -0.506 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)C1 ZINC000819696239 597524527 /nfs/dbraw/zinc/52/45/27/597524527.db2.gz CIYWCQMUDBOTIK-NSHDSACASA-N -1 0 360.370 -0.506 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 ZINC000819696656 597507833 /nfs/dbraw/zinc/50/78/33/597507833.db2.gz XZDSXKDQMAPFRM-AWEZNQCLSA-N -1 0 374.397 -0.125 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 ZINC000819696658 597507955 /nfs/dbraw/zinc/50/79/55/597507955.db2.gz XZDSXKDQMAPFRM-CQSZACIVSA-N -1 0 374.397 -0.125 20 0 FBADRM CN1C(=O)C[C@@H](NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)C1=O ZINC000819720943 661069560 /nfs/dbraw/zinc/06/95/60/661069560.db2.gz JMUUDJYWUQKZGR-LLVKDONJSA-N -1 0 360.395 -0.051 20 0 FBADRM CN1C(=O)C[C@H](NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)C1=O ZINC000819720944 661069540 /nfs/dbraw/zinc/06/95/40/661069540.db2.gz JMUUDJYWUQKZGR-NSHDSACASA-N -1 0 360.395 -0.051 20 0 FBADRM CN1C(=O)CC[C@@H](NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1=O ZINC000819727059 661069701 /nfs/dbraw/zinc/06/97/01/661069701.db2.gz SYTOPTOIISMONP-LLVKDONJSA-N -1 0 360.395 -0.051 20 0 FBADRM CN1C(=O)CC[C@H](NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1=O ZINC000819727060 661069759 /nfs/dbraw/zinc/06/97/59/661069759.db2.gz SYTOPTOIISMONP-NSHDSACASA-N -1 0 360.395 -0.051 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C2=NN(CCO)C(=O)CC2)ccc1[O-] ZINC000819727438 661069667 /nfs/dbraw/zinc/06/96/67/661069667.db2.gz FQPLPIBXPJMECZ-UHFFFAOYSA-N -1 0 370.387 -0.791 20 0 FBADRM CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)NCC(=O)[O-])cc2)CC1 ZINC000819737112 598196792 /nfs/dbraw/zinc/19/67/92/598196792.db2.gz HIKKWFPORJBWAI-UHFFFAOYSA-N -1 0 362.386 -0.510 20 0 FBADRM CC(=O)N1CCN(CCNC(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000819737265 605886699 /nfs/dbraw/zinc/88/66/99/605886699.db2.gz MDEFIZVSYOXFTF-UHFFFAOYSA-N -1 0 362.386 -0.396 20 0 FBADRM CC(=O)NCCN(C(=O)C1CCC2(CC1)NC(=O)NC2=O)[C@@H](C)C(=O)[O-] ZINC000819744274 597684722 /nfs/dbraw/zinc/68/47/22/597684722.db2.gz CTCVIGPTKIVBTE-BAJKAOOYSA-N -1 0 368.390 -0.807 20 0 FBADRM CC(=O)NCCN(C(=O)C1CCC2(CC1)NC(=O)NC2=O)[C@H](C)C(=O)[O-] ZINC000819744275 597684753 /nfs/dbraw/zinc/68/47/53/597684753.db2.gz CTCVIGPTKIVBTE-GRBIUAATSA-N -1 0 368.390 -0.807 20 0 FBADRM CC(=O)NCCN(C(=O)[C@@H](C)n1nnnc1C(C)(C)C)[C@H](C)C(=O)[O-] ZINC000819744422 597681397 /nfs/dbraw/zinc/68/13/97/597681397.db2.gz LPTNMQNVQLWZBE-NXEZZACHSA-N -1 0 354.411 -0.031 20 0 FBADRM CC(=O)NCCN(C(=O)[C@H](C)n1nnnc1C(C)(C)C)[C@@H](C)C(=O)[O-] ZINC000819744423 597681451 /nfs/dbraw/zinc/68/14/51/597681451.db2.gz LPTNMQNVQLWZBE-UWVGGRQHSA-N -1 0 354.411 -0.031 20 0 FBADRM CC(=O)NCCN(C(=O)[C@H](C)n1nnnc1C(C)(C)C)[C@H](C)C(=O)[O-] ZINC000819744424 597681409 /nfs/dbraw/zinc/68/14/09/597681409.db2.gz LPTNMQNVQLWZBE-VHSXEESVSA-N -1 0 354.411 -0.031 20 0 FBADRM CC(=O)NCCN(C(=O)[C@@H](C)n1nnnc1C(C)(C)C)[C@@H](C)C(=O)[O-] ZINC000819744425 597681084 /nfs/dbraw/zinc/68/10/84/597681084.db2.gz LPTNMQNVQLWZBE-ZJUUUORDSA-N -1 0 354.411 -0.031 20 0 FBADRM CC(=O)NCCN(C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)[C@@H](C)C(=O)[O-] ZINC000819744510 597700867 /nfs/dbraw/zinc/70/08/67/597700867.db2.gz QVLXTHOFHYOLKJ-FXBDTBDDSA-N -1 0 367.324 -0.119 20 0 FBADRM CC(=O)NCCN(C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)[C@H](C)C(=O)[O-] ZINC000819744511 597700885 /nfs/dbraw/zinc/70/08/85/597700885.db2.gz QVLXTHOFHYOLKJ-QNSHHTMESA-N -1 0 367.324 -0.119 20 0 FBADRM CC(=O)NCCN(C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)[C@@H](C)C(=O)[O-] ZINC000819744512 597700835 /nfs/dbraw/zinc/70/08/35/597700835.db2.gz QVLXTHOFHYOLKJ-SFGNSQDASA-N -1 0 367.324 -0.119 20 0 FBADRM CC(=O)NCCN(C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)[C@H](C)C(=O)[O-] ZINC000819744513 597700850 /nfs/dbraw/zinc/70/08/50/597700850.db2.gz QVLXTHOFHYOLKJ-SZEHBUNVSA-N -1 0 367.324 -0.119 20 0 FBADRM CC(=O)NCCN(C(=O)CCC(=O)N1CCC(O)CC1)[C@H](C)C(=O)[O-] ZINC000819744605 597692123 /nfs/dbraw/zinc/69/21/23/597692123.db2.gz VTNBFHIHJKGKSV-LLVKDONJSA-N -1 0 357.407 -0.812 20 0 FBADRM CC(=O)NCCN(C(=O)CCC(=O)N1CCC(O)CC1)[C@@H](C)C(=O)[O-] ZINC000819744606 597692430 /nfs/dbraw/zinc/69/24/30/597692430.db2.gz VTNBFHIHJKGKSV-NSHDSACASA-N -1 0 357.407 -0.812 20 0 FBADRM CC(=O)NCCN(C(=O)C1CCN(S(C)(=O)=O)CC1)[C@@H](C)C(=O)[O-] ZINC000819744617 597692271 /nfs/dbraw/zinc/69/22/71/597692271.db2.gz WDQLJDRTSMEZGN-JTQLQIEISA-N -1 0 363.436 -0.904 20 0 FBADRM CC(=O)NCCN(C(=O)C1CCN(S(C)(=O)=O)CC1)[C@H](C)C(=O)[O-] ZINC000819744618 597692464 /nfs/dbraw/zinc/69/24/64/597692464.db2.gz WDQLJDRTSMEZGN-SNVBAGLBSA-N -1 0 363.436 -0.904 20 0 FBADRM CC(=O)NCCN(C(=O)Cc1c(C)[nH]c2ccnn2c1=O)[C@@H](C)C(=O)[O-] ZINC000819745719 597695011 /nfs/dbraw/zinc/69/50/11/597695011.db2.gz AYQUHDNKRVQNOV-JTQLQIEISA-N -1 0 363.374 -0.689 20 0 FBADRM CC(=O)NCCN(C(=O)Cc1c(C)[nH]c2ccnn2c1=O)[C@H](C)C(=O)[O-] ZINC000819745720 597695062 /nfs/dbraw/zinc/69/50/62/597695062.db2.gz AYQUHDNKRVQNOV-SNVBAGLBSA-N -1 0 363.374 -0.689 20 0 FBADRM CC(=O)NCCN(C(=O)CNC(=O)c1ccc(F)cc1)[C@@H](C)C(=O)[O-] ZINC000819745840 597700966 /nfs/dbraw/zinc/70/09/66/597700966.db2.gz MMJDECMQMJXKLC-JTQLQIEISA-N -1 0 353.350 -0.007 20 0 FBADRM CC(=O)NCCN(C(=O)CNC(=O)c1ccc(F)cc1)[C@H](C)C(=O)[O-] ZINC000819745841 597701118 /nfs/dbraw/zinc/70/11/18/597701118.db2.gz MMJDECMQMJXKLC-SNVBAGLBSA-N -1 0 353.350 -0.007 20 0 FBADRM CC(=O)NCCN(C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)[C@H](C)C(=O)[O-] ZINC000819746007 597693725 /nfs/dbraw/zinc/69/37/25/597693725.db2.gz PUQIEGLGTKCBAX-SECBINFHSA-N -1 0 354.363 -0.433 20 0 FBADRM CC(=O)NCCN(C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)[C@@H](C)C(=O)[O-] ZINC000819746008 597693653 /nfs/dbraw/zinc/69/36/53/597693653.db2.gz PUQIEGLGTKCBAX-VIFPVBQESA-N -1 0 354.363 -0.433 20 0 FBADRM CC(=O)NCCN(C(=O)CNC(=O)c1ccc(O)cc1)[C@@H](C)C(=O)[O-] ZINC000819746023 597701000 /nfs/dbraw/zinc/70/10/00/597701000.db2.gz QVLPZUODXACKTG-JTQLQIEISA-N -1 0 351.359 -0.440 20 0 FBADRM CC(=O)NCCN(C(=O)CNC(=O)c1ccc(O)cc1)[C@H](C)C(=O)[O-] ZINC000819746025 597701132 /nfs/dbraw/zinc/70/11/32/597701132.db2.gz QVLPZUODXACKTG-SNVBAGLBSA-N -1 0 351.359 -0.440 20 0 FBADRM CC(=O)NCCN(C(=O)Cn1c(=O)cnc2ccccc21)[C@H](C)C(=O)[O-] ZINC000819746051 597694323 /nfs/dbraw/zinc/69/43/23/597694323.db2.gz STBAATBLCRYGLW-LLVKDONJSA-N -1 0 360.370 -0.166 20 0 FBADRM CC(=O)NCCN(C(=O)Cn1c(=O)cnc2ccccc21)[C@@H](C)C(=O)[O-] ZINC000819746053 597694427 /nfs/dbraw/zinc/69/44/27/597694427.db2.gz STBAATBLCRYGLW-NSHDSACASA-N -1 0 360.370 -0.166 20 0 FBADRM CC(=O)NCCN(C(=O)c1cc(C)ccc1S(N)(=O)=O)[C@@H](C)C(=O)[O-] ZINC000819752737 597681330 /nfs/dbraw/zinc/68/13/30/597681330.db2.gz DKPWNJGIRXXAMG-JTQLQIEISA-N -1 0 371.415 -0.306 20 0 FBADRM CC(=O)NCCN(C(=O)c1cc(C)ccc1S(N)(=O)=O)[C@H](C)C(=O)[O-] ZINC000819752738 597681436 /nfs/dbraw/zinc/68/14/36/597681436.db2.gz DKPWNJGIRXXAMG-SNVBAGLBSA-N -1 0 371.415 -0.306 20 0 FBADRM CC(=O)NCCN(C(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H](C)C(=O)[O-] ZINC000819753116 597672088 /nfs/dbraw/zinc/67/20/88/597672088.db2.gz PHZCUXPSZHPGQQ-SECBINFHSA-N -1 0 372.403 -0.223 20 0 FBADRM CC(=O)NCCN(C(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H](C)C(=O)[O-] ZINC000819753117 597671930 /nfs/dbraw/zinc/67/19/30/597671930.db2.gz PHZCUXPSZHPGQQ-VIFPVBQESA-N -1 0 372.403 -0.223 20 0 FBADRM CC(=O)NCCN(C(=O)c1cccc(S(N)(=O)=O)c1C)[C@@H](C)C(=O)[O-] ZINC000819757955 597684754 /nfs/dbraw/zinc/68/47/54/597684754.db2.gz HUHQGKGTTQAHTI-JTQLQIEISA-N -1 0 371.415 -0.306 20 0 FBADRM CC(=O)NCCN(C(=O)c1cccc(S(N)(=O)=O)c1C)[C@H](C)C(=O)[O-] ZINC000819757956 597684761 /nfs/dbraw/zinc/68/47/61/597684761.db2.gz HUHQGKGTTQAHTI-SNVBAGLBSA-N -1 0 371.415 -0.306 20 0 FBADRM CC(=O)NCCN(C(=O)c1cccc(CS(N)(=O)=O)c1)[C@@H](C)C(=O)[O-] ZINC000819757982 597687589 /nfs/dbraw/zinc/68/75/89/597687589.db2.gz JGRQPBJLAACOPJ-JTQLQIEISA-N -1 0 371.415 -0.474 20 0 FBADRM CC(=O)NCCN(C(=O)c1cccc(CS(N)(=O)=O)c1)[C@H](C)C(=O)[O-] ZINC000819757983 597687496 /nfs/dbraw/zinc/68/74/96/597687496.db2.gz JGRQPBJLAACOPJ-SNVBAGLBSA-N -1 0 371.415 -0.474 20 0 FBADRM CC(=O)NCCN(C(=O)c1ccc(CS(N)(=O)=O)cc1)[C@@H](C)C(=O)[O-] ZINC000819758147 597687548 /nfs/dbraw/zinc/68/75/48/597687548.db2.gz LJBPQMOZZVOHPR-JTQLQIEISA-N -1 0 371.415 -0.474 20 0 FBADRM CC(=O)NCCN(C(=O)c1ccc(CS(N)(=O)=O)cc1)[C@H](C)C(=O)[O-] ZINC000819758148 597687488 /nfs/dbraw/zinc/68/74/88/597687488.db2.gz LJBPQMOZZVOHPR-SNVBAGLBSA-N -1 0 371.415 -0.474 20 0 FBADRM CC(=O)NCCN(C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)[C@H](C)C(=O)[O-] ZINC000819758152 597688075 /nfs/dbraw/zinc/68/80/75/597688075.db2.gz LMDXKLAJDHXPIM-MRVPVSSYSA-N -1 0 362.342 -0.732 20 0 FBADRM CC(=O)NCCN(C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)[C@@H](C)C(=O)[O-] ZINC000819758153 597688173 /nfs/dbraw/zinc/68/81/73/597688173.db2.gz LMDXKLAJDHXPIM-QMMMGPOBSA-N -1 0 362.342 -0.732 20 0 FBADRM CC(=O)NCCN(C(=O)c1cn(Cc2ccccn2)nn1)[C@H](C)C(=O)[O-] ZINC000819758175 597686183 /nfs/dbraw/zinc/68/61/83/597686183.db2.gz MUGOWLRUOTYZLO-LLVKDONJSA-N -1 0 360.374 -0.227 20 0 FBADRM CC(=O)NCCN(C(=O)c1cn(Cc2ccccn2)nn1)[C@@H](C)C(=O)[O-] ZINC000819758176 597686224 /nfs/dbraw/zinc/68/62/24/597686224.db2.gz MUGOWLRUOTYZLO-NSHDSACASA-N -1 0 360.374 -0.227 20 0 FBADRM CC(=O)NCCN(C(=O)c1ccc(S(N)(=O)=O)s1)[C@H](C)C(=O)[O-] ZINC000819758177 597691675 /nfs/dbraw/zinc/69/16/75/597691675.db2.gz MVBAVSRJKNEOHN-SSDOTTSWSA-N -1 0 363.417 -0.553 20 0 FBADRM CC(=O)NCCN(C(=O)c1ccc(S(N)(=O)=O)s1)[C@@H](C)C(=O)[O-] ZINC000819758178 597691892 /nfs/dbraw/zinc/69/18/92/597691892.db2.gz MVBAVSRJKNEOHN-ZETCQYMHSA-N -1 0 363.417 -0.553 20 0 FBADRM CC(=O)NCCN(C(=O)c1ccc(CS(C)(=O)=O)o1)[C@H](C)C(=O)[O-] ZINC000819758310 597692866 /nfs/dbraw/zinc/69/28/66/597692866.db2.gz WXCMZEWGITZXTH-SECBINFHSA-N -1 0 360.388 -0.124 20 0 FBADRM CC(=O)NCCN(C(=O)c1ccc(CS(C)(=O)=O)o1)[C@@H](C)C(=O)[O-] ZINC000819758312 597693202 /nfs/dbraw/zinc/69/32/02/597693202.db2.gz WXCMZEWGITZXTH-VIFPVBQESA-N -1 0 360.388 -0.124 20 0 FBADRM CC(=O)NCCN(C(=O)c1cnc2c(c1)NC(=O)CO2)[C@H](C)C(=O)[O-] ZINC000819762403 597697731 /nfs/dbraw/zinc/69/77/31/597697731.db2.gz BPJDEIBBDDSQRD-MRVPVSSYSA-N -1 0 350.331 -0.536 20 0 FBADRM CC(=O)NCCN(C(=O)c1cnc2c(c1)NC(=O)CO2)[C@@H](C)C(=O)[O-] ZINC000819762404 597697969 /nfs/dbraw/zinc/69/79/69/597697969.db2.gz BPJDEIBBDDSQRD-QMMMGPOBSA-N -1 0 350.331 -0.536 20 0 FBADRM CC(=O)NCCN(C(=O)c1cnc2n(c1=O)CCS2)[C@H](C)C(=O)[O-] ZINC000819762457 597696279 /nfs/dbraw/zinc/69/62/79/597696279.db2.gz DVWNNYTWSDHTLX-MRVPVSSYSA-N -1 0 354.388 -0.600 20 0 FBADRM CC(=O)NCCN(C(=O)c1cnc2n(c1=O)CCS2)[C@@H](C)C(=O)[O-] ZINC000819762458 597696362 /nfs/dbraw/zinc/69/63/62/597696362.db2.gz DVWNNYTWSDHTLX-QMMMGPOBSA-N -1 0 354.388 -0.600 20 0 FBADRM CC(=O)NCCN(C(=O)c1cnc2sccn2c1=O)[C@H](C)C(=O)[O-] ZINC000819762461 597696252 /nfs/dbraw/zinc/69/62/52/597696252.db2.gz GFVFKNNDDNYFLV-MRVPVSSYSA-N -1 0 352.372 -0.193 20 0 FBADRM CC(=O)NCCN(C(=O)c1cnc2sccn2c1=O)[C@@H](C)C(=O)[O-] ZINC000819762462 597696377 /nfs/dbraw/zinc/69/63/77/597696377.db2.gz GFVFKNNDDNYFLV-QMMMGPOBSA-N -1 0 352.372 -0.193 20 0 FBADRM CC(=O)NCCN(C(=O)c1cncc(N2CCOCC2)c1)[C@H](C)C(=O)[O-] ZINC000819762685 597686159 /nfs/dbraw/zinc/68/61/59/597686159.db2.gz XLPZKNPOVWTVCB-GFCCVEGCSA-N -1 0 364.402 -0.030 20 0 FBADRM CC(=O)NCCN(C(=O)c1cncc(N2CCOCC2)c1)[C@@H](C)C(=O)[O-] ZINC000819762687 597686171 /nfs/dbraw/zinc/68/61/71/597686171.db2.gz XLPZKNPOVWTVCB-LBPRGKRZSA-N -1 0 364.402 -0.030 20 0 FBADRM CC(=O)NCCN(CC(=O)N1CCC[C@@H](NC(C)=O)C1)[C@H](C)C(=O)[O-] ZINC000819769860 597677468 /nfs/dbraw/zinc/67/74/68/597677468.db2.gz CBOPJCDZRMRILO-BXUZGUMPSA-N -1 0 356.423 -0.975 20 0 FBADRM CC(=O)NCCN(CC(=O)N1CCC[C@H](NC(C)=O)C1)[C@@H](C)C(=O)[O-] ZINC000819769863 597677189 /nfs/dbraw/zinc/67/71/89/597677189.db2.gz CBOPJCDZRMRILO-FZMZJTMJSA-N -1 0 356.423 -0.975 20 0 FBADRM CC(=O)NCCN(CC(=O)N1CCC[C@H](NC(C)=O)C1)[C@H](C)C(=O)[O-] ZINC000819769865 597677383 /nfs/dbraw/zinc/67/73/83/597677383.db2.gz CBOPJCDZRMRILO-RISCZKNCSA-N -1 0 356.423 -0.975 20 0 FBADRM CC(=O)NCCN(CC(=O)N1CCC[C@@H](NC(C)=O)C1)[C@@H](C)C(=O)[O-] ZINC000819769866 597677170 /nfs/dbraw/zinc/67/71/70/597677170.db2.gz CBOPJCDZRMRILO-SMDDNHRTSA-N -1 0 356.423 -0.975 20 0 FBADRM CC(=O)NCCN(CC(=O)NC1CCN(C(C)=O)CC1)[C@H](C)C(=O)[O-] ZINC000819770010 597675067 /nfs/dbraw/zinc/67/50/67/597675067.db2.gz DZKPZFFXOCLSBJ-LLVKDONJSA-N -1 0 356.423 -0.975 20 0 FBADRM CC(=O)NCCN(CC(=O)NC1CCN(C(C)=O)CC1)[C@@H](C)C(=O)[O-] ZINC000819770011 597675014 /nfs/dbraw/zinc/67/50/14/597675014.db2.gz DZKPZFFXOCLSBJ-NSHDSACASA-N -1 0 356.423 -0.975 20 0 FBADRM CC(=O)NCCN(CC(=O)N1CCC2(CC1)OCCO2)[C@H](C)C(=O)[O-] ZINC000819770296 597678755 /nfs/dbraw/zinc/67/87/55/597678755.db2.gz NJLQIONCIDRESF-GFCCVEGCSA-N -1 0 357.407 -0.737 20 0 FBADRM CC(=O)NCCN(CC(=O)N1CCC2(CC1)OCCO2)[C@@H](C)C(=O)[O-] ZINC000819770297 597679025 /nfs/dbraw/zinc/67/90/25/597679025.db2.gz NJLQIONCIDRESF-LBPRGKRZSA-N -1 0 357.407 -0.737 20 0 FBADRM CC(=O)NCCN(CC(=O)N1CC(=O)Nc2ccccc21)[C@H](C)C(=O)[O-] ZINC000819770366 597679029 /nfs/dbraw/zinc/67/90/29/597679029.db2.gz PVXIVDQUOOLPPZ-LLVKDONJSA-N -1 0 362.386 -0.117 20 0 FBADRM CC(=O)NCCN(CC(=O)N1CC(=O)Nc2ccccc21)[C@@H](C)C(=O)[O-] ZINC000819770367 597679117 /nfs/dbraw/zinc/67/91/17/597679117.db2.gz PVXIVDQUOOLPPZ-NSHDSACASA-N -1 0 362.386 -0.117 20 0 FBADRM CC(=O)NCCN(CC(=O)NC1CCC2(CC1)OCCO2)[C@H](C)C(=O)[O-] ZINC000819770424 597676353 /nfs/dbraw/zinc/67/63/53/597676353.db2.gz ROZYFCLTCOIVHZ-GFCCVEGCSA-N -1 0 371.434 -0.301 20 0 FBADRM CC(=O)NCCN(CC(=O)NC1CCC2(CC1)OCCO2)[C@@H](C)C(=O)[O-] ZINC000819770425 597676555 /nfs/dbraw/zinc/67/65/55/597676555.db2.gz ROZYFCLTCOIVHZ-LBPRGKRZSA-N -1 0 371.434 -0.301 20 0 FBADRM CC(=O)NCCN(Cc1nn2c(nc(C)cc2=O)s1)[C@H](C)C(=O)[O-] ZINC000819779988 597679172 /nfs/dbraw/zinc/67/91/72/597679172.db2.gz BMZFQWKGHGOGNI-SECBINFHSA-N -1 0 353.404 -0.129 20 0 FBADRM CC(=O)NCCN(Cc1nn2c(nc(C)cc2=O)s1)[C@@H](C)C(=O)[O-] ZINC000819780002 597679534 /nfs/dbraw/zinc/67/95/34/597679534.db2.gz BMZFQWKGHGOGNI-VIFPVBQESA-N -1 0 353.404 -0.129 20 0 FBADRM CC(=O)NCCN(Cc1ccc(S(=O)(=O)N(C)C)o1)[C@@H](C)C(=O)[O-] ZINC000819781367 597675826 /nfs/dbraw/zinc/67/58/26/597675826.db2.gz VLDQFJBNMJNSBL-JTQLQIEISA-N -1 0 361.420 -0.059 20 0 FBADRM CC(=O)NCCN(Cc1ccc(S(=O)(=O)N(C)C)o1)[C@H](C)C(=O)[O-] ZINC000819781368 597675823 /nfs/dbraw/zinc/67/58/23/597675823.db2.gz VLDQFJBNMJNSBL-SNVBAGLBSA-N -1 0 361.420 -0.059 20 0 FBADRM CC(=O)N(C)c1cccc(Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)c1 ZINC000819788138 599688619 /nfs/dbraw/zinc/68/86/19/599688619.db2.gz BVSUIOHBJFCEEX-UHFFFAOYSA-N -1 0 370.373 -0.010 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)[O-])s1 ZINC000819788760 600696973 /nfs/dbraw/zinc/69/69/73/600696973.db2.gz LUYGZTBTTVTBRN-SSDOTTSWSA-N -1 0 364.401 -0.321 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)[O-])s1 ZINC000819788761 600696915 /nfs/dbraw/zinc/69/69/15/600696915.db2.gz LUYGZTBTTVTBRN-ZETCQYMHSA-N -1 0 364.401 -0.321 20 0 FBADRM CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCC(=O)NCC(=O)[O-])c1 ZINC000819789070 597831264 /nfs/dbraw/zinc/83/12/64/597831264.db2.gz WQARVNMZVLCAGL-UHFFFAOYSA-N -1 0 351.315 -0.039 20 0 FBADRM CC(=O)Nc1cccc(-n2nnnc2SCC(=O)NCC(=O)[O-])c1 ZINC000819797115 597753313 /nfs/dbraw/zinc/75/33/13/597753313.db2.gz YNOVVHGGUGGPEB-UHFFFAOYSA-N -1 0 350.360 -0.086 20 0 FBADRM CC(=O)NCCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000819811316 606884449 /nfs/dbraw/zinc/88/44/49/606884449.db2.gz YKWNZVNMQCTQIY-UHFFFAOYSA-N -1 0 360.346 -0.051 20 0 FBADRM CC(=O)Nc1ccc(CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1 ZINC000819817466 607213694 /nfs/dbraw/zinc/21/36/94/607213694.db2.gz HUOQTMCCBGUVJS-UHFFFAOYSA-N -1 0 355.362 -0.225 20 0 FBADRM CC(=O)Nc1ccccc1CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000819826253 599040799 /nfs/dbraw/zinc/04/07/99/599040799.db2.gz IPJLNPSVPJODOS-UHFFFAOYSA-N -1 0 370.373 -0.165 20 0 FBADRM CC(=O)Nc1cccc(OCCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000819827066 607213866 /nfs/dbraw/zinc/21/38/66/607213866.db2.gz QTKWLMBGKXNARM-UHFFFAOYSA-N -1 0 371.361 -0.388 20 0 FBADRM C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000819882618 604920229 /nfs/dbraw/zinc/92/02/29/604920229.db2.gz ALOHPCWFVHVFGN-GFCCVEGCSA-N -1 0 366.393 -0.029 20 0 FBADRM C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000819882620 604919740 /nfs/dbraw/zinc/91/97/40/604919740.db2.gz ALOHPCWFVHVFGN-LBPRGKRZSA-N -1 0 366.393 -0.029 20 0 FBADRM C[C@H](C(=O)OC(C)(C)C)N(C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000819883562 606301402 /nfs/dbraw/zinc/30/14/02/606301402.db2.gz IALBVSFJQBPHKX-MRVPVSSYSA-N -1 0 365.394 -0.570 20 0 FBADRM C[C@@H](C(=O)OC(C)(C)C)N(C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000819883563 606301387 /nfs/dbraw/zinc/30/13/87/606301387.db2.gz IALBVSFJQBPHKX-QMMMGPOBSA-N -1 0 365.394 -0.570 20 0 FBADRM CCn1nc(C)c(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)n1 ZINC000819890789 661070830 /nfs/dbraw/zinc/07/08/30/661070830.db2.gz GXKSDHFVRPVCFX-UHFFFAOYSA-N -1 0 365.375 -0.166 20 0 FBADRM CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000819892154 607215118 /nfs/dbraw/zinc/21/51/18/607215118.db2.gz WTPNFTBFTYPJTI-JTQLQIEISA-N -1 0 361.410 -0.389 20 0 FBADRM CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000819892155 607215103 /nfs/dbraw/zinc/21/51/03/607215103.db2.gz WTPNFTBFTYPJTI-SNVBAGLBSA-N -1 0 361.410 -0.389 20 0 FBADRM C[C@H](C(=O)OCC(=O)NCC(=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000819895868 601684198 /nfs/dbraw/zinc/68/41/98/601684198.db2.gz RBXBMPDXTIQCBP-JTQLQIEISA-N -1 0 372.399 -0.216 20 0 FBADRM C[C@@H](C(=O)OCC(=O)NCC(=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000819895869 601684117 /nfs/dbraw/zinc/68/41/17/601684117.db2.gz RBXBMPDXTIQCBP-SNVBAGLBSA-N -1 0 372.399 -0.216 20 0 FBADRM C[C@H](C(=O)OCc1cn(CC(=O)[O-])nn1)N1C(=O)NC2(CCCC2)C1=O ZINC000819901425 597361116 /nfs/dbraw/zinc/36/11/16/597361116.db2.gz CVDZNCUWKJZSMJ-SECBINFHSA-N -1 0 365.346 -0.341 20 0 FBADRM C[C@@H](C(=O)OCc1cn(CC(=O)[O-])nn1)N1C(=O)NC2(CCCC2)C1=O ZINC000819901426 597360952 /nfs/dbraw/zinc/36/09/52/597360952.db2.gz CVDZNCUWKJZSMJ-VIFPVBQESA-N -1 0 365.346 -0.341 20 0 FBADRM CC(C)(C(N)=O)N1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000819901495 605057522 /nfs/dbraw/zinc/05/75/22/605057522.db2.gz HESVWCHTKVTAOK-UHFFFAOYSA-N -1 0 362.386 -0.269 20 0 FBADRM CC(C)(C)CC(=O)N1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000819907058 607206941 /nfs/dbraw/zinc/20/69/41/607206941.db2.gz LSTNAYSLRGNEJJ-UHFFFAOYSA-N -1 0 361.410 -0.435 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@@]2(C1)NC(=O)N(CC(=O)NCC(=O)[O-])C2=O ZINC000819914839 597758249 /nfs/dbraw/zinc/75/82/49/597758249.db2.gz INQGAQYUMPWPME-HNNXBMFYSA-N -1 0 370.362 -0.881 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@]2(C1)NC(=O)N(CC(=O)NCC(=O)[O-])C2=O ZINC000819914840 597758261 /nfs/dbraw/zinc/75/82/61/597758261.db2.gz INQGAQYUMPWPME-OAHLLOKOSA-N -1 0 370.362 -0.881 20 0 FBADRM CC(C)(C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NCC(=O)[O-])o1 ZINC000819915268 597834010 /nfs/dbraw/zinc/83/40/10/597834010.db2.gz XDYMHIFBQNMLBH-UHFFFAOYSA-N -1 0 362.360 -0.286 20 0 FBADRM CC(C)(C)OC(=O)N1CCOC[C@@H]1C(N)=NOCC(=O)NCC(=O)[O-] ZINC000819921748 597762540 /nfs/dbraw/zinc/76/25/40/597762540.db2.gz OFGWJPFBOWHFLR-SECBINFHSA-N -1 0 360.367 -0.678 20 0 FBADRM CC(C)(C)OC(=O)N1CCOC[C@H]1C(N)=NOCC(=O)NCC(=O)[O-] ZINC000819921749 597762568 /nfs/dbraw/zinc/76/25/68/597762568.db2.gz OFGWJPFBOWHFLR-VIFPVBQESA-N -1 0 360.367 -0.678 20 0 FBADRM CC(C)(C)OC(=O)[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC000819921994 607220655 /nfs/dbraw/zinc/22/06/55/607220655.db2.gz DGMIHDCUEQEACG-SECBINFHSA-N -1 0 364.366 -0.973 20 0 FBADRM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCO1 ZINC000819921995 607220500 /nfs/dbraw/zinc/22/05/00/607220500.db2.gz DGMIHDCUEQEACG-VIFPVBQESA-N -1 0 364.366 -0.973 20 0 FBADRM CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000819922270 607212409 /nfs/dbraw/zinc/21/24/09/607212409.db2.gz JCCSXKWQEVYLNM-MRVPVSSYSA-N -1 0 365.423 -0.726 20 0 FBADRM CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000819922271 607212412 /nfs/dbraw/zinc/21/24/12/607212412.db2.gz JCCSXKWQEVYLNM-QMMMGPOBSA-N -1 0 365.423 -0.726 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000819933104 607215485 /nfs/dbraw/zinc/21/54/85/607215485.db2.gz FYPBMOUSJOZTCJ-SECBINFHSA-N -1 0 363.382 -0.416 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000819933105 607215605 /nfs/dbraw/zinc/21/56/05/607215605.db2.gz FYPBMOUSJOZTCJ-VIFPVBQESA-N -1 0 363.382 -0.416 20 0 FBADRM CC(C)(C)OC(=O)NCCCNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000819939766 607213797 /nfs/dbraw/zinc/21/37/97/607213797.db2.gz JFSYBIRHEFVGKG-UHFFFAOYSA-N -1 0 351.371 -0.511 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000819940061 607224134 /nfs/dbraw/zinc/22/41/34/607224134.db2.gz OLWWHOPJMQBTGH-SECBINFHSA-N -1 0 363.382 -0.416 20 0 FBADRM CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000819940062 607237220 /nfs/dbraw/zinc/23/72/20/607237220.db2.gz OLWWHOPJMQBTGH-VIFPVBQESA-N -1 0 363.382 -0.416 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1ccccc1C(=O)[O-])NS(C)(=O)=O ZINC000819948457 605912743 /nfs/dbraw/zinc/91/27/43/605912743.db2.gz ZDSRQASUSRURJZ-UHFFFAOYSA-N -1 0 357.388 -0.233 20 0 FBADRM CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000819966767 598195244 /nfs/dbraw/zinc/19/52/44/598195244.db2.gz DAKRNKYAPOSNHM-NSHDSACASA-N -1 0 357.388 -0.112 20 0 FBADRM CC(C)(C)OC(=O)NC(C)(C)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000819980668 607220739 /nfs/dbraw/zinc/22/07/39/607220739.db2.gz HFZSYGAJKFSMOF-UHFFFAOYSA-N -1 0 365.398 -0.122 20 0 FBADRM CC(C)(C)OC(=O)NCC(C)(C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000819981499 607214008 /nfs/dbraw/zinc/21/40/08/607214008.db2.gz XHRSUVHURWAKFF-UHFFFAOYSA-N -1 0 365.398 -0.122 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000819985740 661072008 /nfs/dbraw/zinc/07/20/08/661072008.db2.gz OHISKJUEOJYTNU-QMMMGPOBSA-N -1 0 350.297 -0.274 20 0 FBADRM CC(C)(NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C(=O)NCC1CCCC1 ZINC000819987661 607361817 /nfs/dbraw/zinc/36/18/17/607361817.db2.gz FKHLONHJMRJEKB-UHFFFAOYSA-N -1 0 361.410 -0.341 20 0 FBADRM CC(C)(NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C(=O)Nc1ccccc1 ZINC000819987696 607214852 /nfs/dbraw/zinc/21/48/52/607214852.db2.gz GWXSGRSIMDXTCN-UHFFFAOYSA-N -1 0 355.362 -0.008 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN(CC(=O)[O-])C(C)C)c(=O)n(C)c1=O ZINC000819992890 600991297 /nfs/dbraw/zinc/99/12/97/600991297.db2.gz JTJGKKNKBYGIEK-UHFFFAOYSA-N -1 0 354.407 -0.237 20 0 FBADRM CC(C)N(CC(=O)[O-])C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000819996275 598075261 /nfs/dbraw/zinc/07/52/61/598075261.db2.gz BCNVJYLUZNUGBN-JTQLQIEISA-N -1 0 359.404 -0.527 20 0 FBADRM CC(C)N(CC(=O)[O-])C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000819996276 598075101 /nfs/dbraw/zinc/07/51/01/598075101.db2.gz BCNVJYLUZNUGBN-SNVBAGLBSA-N -1 0 359.404 -0.527 20 0 FBADRM CC(C)N(CC(=O)[O-])CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000820009401 598080116 /nfs/dbraw/zinc/08/01/16/598080116.db2.gz AHRFZUGSELPYPH-CYBMUJFWSA-N -1 0 361.464 -0.887 20 0 FBADRM CC(C)N(CC(=O)[O-])CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000820009402 598080371 /nfs/dbraw/zinc/08/03/71/598080371.db2.gz AHRFZUGSELPYPH-ZDUSSCGKSA-N -1 0 361.464 -0.887 20 0 FBADRM CC(C)N(CC(=O)[O-])CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000820009692 598079841 /nfs/dbraw/zinc/07/98/41/598079841.db2.gz ZCDFZIDKWKGETF-UHFFFAOYSA-N -1 0 356.467 -0.160 20 0 FBADRM CC(C)[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(N)=O ZINC000820026704 606889911 /nfs/dbraw/zinc/88/99/11/606889911.db2.gz LZXFVSHTEAUDNW-SECBINFHSA-N -1 0 360.346 -0.067 20 0 FBADRM CC(C)[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(N)=O ZINC000820026705 606889682 /nfs/dbraw/zinc/88/96/82/606889682.db2.gz LZXFVSHTEAUDNW-VIFPVBQESA-N -1 0 360.346 -0.067 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820029568 605907844 /nfs/dbraw/zinc/90/78/44/605907844.db2.gz HUYIQCJBTIATIC-UHFFFAOYSA-N -1 0 357.388 -0.233 20 0 FBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)OCc2cn(CC(=O)[O-])nn2)c1 ZINC000820029818 597356057 /nfs/dbraw/zinc/35/60/57/597356057.db2.gz POHTXTOYEGZIBP-UHFFFAOYSA-N -1 0 371.375 -0.266 20 0 FBADRM CC(C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NCC(=O)[O-])cc1 ZINC000820029821 597827861 /nfs/dbraw/zinc/82/78/61/597827861.db2.gz PQCBUPRCNSSENB-UHFFFAOYSA-N -1 0 358.372 -0.269 20 0 FBADRM CC(C)NS(=O)(=O)c1cccc(C(=O)OCC(=O)NCC(=O)[O-])c1 ZINC000820029834 597822630 /nfs/dbraw/zinc/82/26/30/597822630.db2.gz QSIJNJNJMUBEJQ-UHFFFAOYSA-N -1 0 358.372 -0.269 20 0 FBADRM CC(C)[C@@H](NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)C(=O)[O-] ZINC000820036557 597343791 /nfs/dbraw/zinc/34/37/91/597343791.db2.gz BDNBIPMZJCOPNC-CYBMUJFWSA-N -1 0 367.406 -0.621 20 0 FBADRM CC(C)[C@@H](NC(=O)C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000820036608 597344306 /nfs/dbraw/zinc/34/43/06/597344306.db2.gz GCCOZIGWNLBKJO-GXSJLCMTSA-N -1 0 372.403 -0.593 20 0 FBADRM CC(C)[C@@H](NC(=O)C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000820036609 597344278 /nfs/dbraw/zinc/34/42/78/597344278.db2.gz GCCOZIGWNLBKJO-MWLCHTKSSA-N -1 0 372.403 -0.593 20 0 FBADRM CC(C)[C@H]1CN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CCS1 ZINC000820044319 599096348 /nfs/dbraw/zinc/09/63/48/599096348.db2.gz FMGXTWJILDGEGC-SECBINFHSA-N -1 0 351.436 -0.158 20 0 FBADRM CC(C)[C@@H]1CN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CCS1 ZINC000820044320 599097505 /nfs/dbraw/zinc/09/75/05/599097505.db2.gz FMGXTWJILDGEGC-VIFPVBQESA-N -1 0 351.436 -0.158 20 0 FBADRM CC(C)[C@H](NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)C(=O)[O-] ZINC000820049097 597342636 /nfs/dbraw/zinc/34/26/36/597342636.db2.gz BDNBIPMZJCOPNC-ZDUSSCGKSA-N -1 0 367.406 -0.621 20 0 FBADRM CC(C)[C@H](NC(=O)C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000820049133 597342824 /nfs/dbraw/zinc/34/28/24/597342824.db2.gz GCCOZIGWNLBKJO-KOLCDFICSA-N -1 0 372.403 -0.593 20 0 FBADRM CC(C)[C@H](NC(=O)C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000820049134 597342551 /nfs/dbraw/zinc/34/25/51/597342551.db2.gz GCCOZIGWNLBKJO-ONGXEEELSA-N -1 0 372.403 -0.593 20 0 FBADRM CCOC(=O)C[C@@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)NC)c1 ZINC000820054676 661072756 /nfs/dbraw/zinc/07/27/56/661072756.db2.gz RQFLJHLRGODALR-JTQLQIEISA-N -1 0 362.379 -0.222 20 0 FBADRM CCOC(=O)C[C@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)NC)c1 ZINC000820054677 661072835 /nfs/dbraw/zinc/07/28/35/661072835.db2.gz RQFLJHLRGODALR-SNVBAGLBSA-N -1 0 362.379 -0.222 20 0 FBADRM CC(C)C[C@H](CCO)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820055600 599686264 /nfs/dbraw/zinc/68/62/64/599686264.db2.gz IPMRFECYHYRYFR-JTQLQIEISA-N -1 0 351.411 -0.279 20 0 FBADRM CC(C)C[C@@H](CCO)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820055601 599686457 /nfs/dbraw/zinc/68/64/57/599686457.db2.gz IPMRFECYHYRYFR-SNVBAGLBSA-N -1 0 351.411 -0.279 20 0 FBADRM CC(C)CNC(=O)[C@H]1CSCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820093532 607211724 /nfs/dbraw/zinc/21/17/24/607211724.db2.gz YMPIZWOCDUQIDO-SECBINFHSA-N -1 0 365.423 -0.868 20 0 FBADRM CC(C)CNC(=O)[C@@H]1CSCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820093538 607211899 /nfs/dbraw/zinc/21/18/99/607211899.db2.gz YMPIZWOCDUQIDO-VIFPVBQESA-N -1 0 365.423 -0.868 20 0 FBADRM CC(C)COC(=O)N1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000820096794 607211908 /nfs/dbraw/zinc/21/19/08/607211908.db2.gz HCKJYEMVRVRXFI-UHFFFAOYSA-N -1 0 363.382 -0.605 20 0 FBADRM C[C@H](CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)S(N)(=O)=O ZINC000820102356 598106980 /nfs/dbraw/zinc/10/69/80/598106980.db2.gz WIJZBATXBJUPLR-BXKDBHETSA-N -1 0 354.388 -0.501 20 0 FBADRM C[C@@H](CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)S(N)(=O)=O ZINC000820102358 598106873 /nfs/dbraw/zinc/10/68/73/598106873.db2.gz WIJZBATXBJUPLR-CABZTGNLSA-N -1 0 354.388 -0.501 20 0 FBADRM C[C@@H](CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)S(N)(=O)=O ZINC000820102360 598106904 /nfs/dbraw/zinc/10/69/04/598106904.db2.gz WIJZBATXBJUPLR-JOYOIKCWSA-N -1 0 354.388 -0.501 20 0 FBADRM C[C@H](CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)S(N)(=O)=O ZINC000820102361 598106951 /nfs/dbraw/zinc/10/69/51/598106951.db2.gz WIJZBATXBJUPLR-SKDRFNHKSA-N -1 0 354.388 -0.501 20 0 FBADRM CC(C)Cn1ccnc1CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820107954 599580632 /nfs/dbraw/zinc/58/06/32/599580632.db2.gz DOLGQERVDLWBCA-UHFFFAOYSA-N -1 0 359.394 -0.271 20 0 FBADRM CC(C)C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C(=O)OC(C)C ZINC000820108720 607217326 /nfs/dbraw/zinc/21/73/26/607217326.db2.gz PTKDLVIYHZAVSY-JTQLQIEISA-N -1 0 350.383 -0.059 20 0 FBADRM CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820112120 607211613 /nfs/dbraw/zinc/21/16/13/607211613.db2.gz KJGPQNYFUQXERF-SECBINFHSA-N -1 0 365.423 -0.774 20 0 FBADRM CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820112121 607211703 /nfs/dbraw/zinc/21/17/03/607211703.db2.gz KJGPQNYFUQXERF-VIFPVBQESA-N -1 0 365.423 -0.774 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1)C(=O)[O-] ZINC000820113491 597726515 /nfs/dbraw/zinc/72/65/15/597726515.db2.gz ABDPNEGXCFHPDD-JTQLQIEISA-N -1 0 366.378 -0.792 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1)C(=O)[O-] ZINC000820113492 597726734 /nfs/dbraw/zinc/72/67/34/597726734.db2.gz ABDPNEGXCFHPDD-SNVBAGLBSA-N -1 0 366.378 -0.792 20 0 FBADRM O=C(Cc1ccc(-n2cnnc2)cc1)[N-]S(=O)(=O)N1CCOCC1 ZINC000820123527 661073648 /nfs/dbraw/zinc/07/36/48/661073648.db2.gz CNLFAYCQRQWMSB-UHFFFAOYSA-N -1 0 351.388 -0.497 20 0 FBADRM CC(C)NC(=O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820133437 606884116 /nfs/dbraw/zinc/88/41/16/606884116.db2.gz RQINARRNPYHNME-UHFFFAOYSA-N -1 0 360.346 -0.052 20 0 FBADRM CC(C)OC(=O)[C@H](C)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820137799 599078983 /nfs/dbraw/zinc/07/89/83/599078983.db2.gz OJLSQOSIDCQOOF-MRVPVSSYSA-N -1 0 351.367 -0.736 20 0 FBADRM CC(C)OC(=O)[C@@H](C)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820137801 599079687 /nfs/dbraw/zinc/07/96/87/599079687.db2.gz OJLSQOSIDCQOOF-QMMMGPOBSA-N -1 0 351.367 -0.736 20 0 FBADRM CC(C)OC(=O)[C@@H](C)N(C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820142506 606830635 /nfs/dbraw/zinc/83/06/35/606830635.db2.gz OGXOFQFHYLHHAN-MRVPVSSYSA-N -1 0 351.367 -0.960 20 0 FBADRM CC(C)OC(=O)[C@H](C)N(C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820142507 606830847 /nfs/dbraw/zinc/83/08/47/606830847.db2.gz OGXOFQFHYLHHAN-QMMMGPOBSA-N -1 0 351.367 -0.960 20 0 FBADRM CC(C)OC(=O)N1CCC(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000820142577 607216403 /nfs/dbraw/zinc/21/64/03/607216403.db2.gz PODBYUBCBUUZCH-UHFFFAOYSA-N -1 0 363.382 -0.416 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)OCc1cn(CC(=O)[O-])nn1 ZINC000820149049 597360048 /nfs/dbraw/zinc/36/00/48/597360048.db2.gz UQARXVWBLVGXJT-MRVPVSSYSA-N -1 0 374.400 -0.166 20 0 FBADRM C[C@H](NS(=O)(=O)c1cccs1)C(=O)OCc1cn(CC(=O)[O-])nn1 ZINC000820149050 597359989 /nfs/dbraw/zinc/35/99/89/597359989.db2.gz UQARXVWBLVGXJT-QMMMGPOBSA-N -1 0 374.400 -0.166 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000820149069 601669831 /nfs/dbraw/zinc/66/98/31/601669831.db2.gz UWZYOKOHMVQRTO-JTQLQIEISA-N -1 0 358.420 -0.009 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000820149074 601669812 /nfs/dbraw/zinc/66/98/12/601669812.db2.gz UWZYOKOHMVQRTO-SNVBAGLBSA-N -1 0 358.420 -0.009 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000820149580 597832872 /nfs/dbraw/zinc/83/28/72/597832872.db2.gz ZHAZIRJCEIGLFU-SSDOTTSWSA-N -1 0 350.374 -0.841 20 0 FBADRM C[C@H](NS(=O)(=O)c1cccs1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000820149582 597833066 /nfs/dbraw/zinc/83/30/66/597833066.db2.gz ZHAZIRJCEIGLFU-ZETCQYMHSA-N -1 0 350.374 -0.841 20 0 FBADRM C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000820154190 598061292 /nfs/dbraw/zinc/06/12/92/598061292.db2.gz ITQSJXKXRJYKEL-LLVKDONJSA-N -1 0 363.370 -0.696 20 0 FBADRM C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000820154193 598061562 /nfs/dbraw/zinc/06/15/62/598061562.db2.gz ITQSJXKXRJYKEL-NSHDSACASA-N -1 0 363.370 -0.696 20 0 FBADRM C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000820154434 598061113 /nfs/dbraw/zinc/06/11/13/598061113.db2.gz OALBPTMOSSAGJT-LLVKDONJSA-N -1 0 363.370 -0.696 20 0 FBADRM C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000820154435 598061411 /nfs/dbraw/zinc/06/14/11/598061411.db2.gz OALBPTMOSSAGJT-NSHDSACASA-N -1 0 363.370 -0.696 20 0 FBADRM C[C@@H](O)C(=O)N1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC000820154753 598069562 /nfs/dbraw/zinc/06/95/62/598069562.db2.gz XGEHNFSOUPZHIX-DOMZBBRYSA-N -1 0 374.397 -0.243 20 0 FBADRM C[C@@H](O)C(=O)N1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CC1 ZINC000820154754 598069387 /nfs/dbraw/zinc/06/93/87/598069387.db2.gz XGEHNFSOUPZHIX-IUODEOHRSA-N -1 0 374.397 -0.243 20 0 FBADRM C[C@H](O)C(=O)N1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CC1 ZINC000820154755 598069614 /nfs/dbraw/zinc/06/96/14/598069614.db2.gz XGEHNFSOUPZHIX-SWLSCSKDSA-N -1 0 374.397 -0.243 20 0 FBADRM C[C@H](O)C(=O)N1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC000820154756 598069445 /nfs/dbraw/zinc/06/94/45/598069445.db2.gz XGEHNFSOUPZHIX-WFASDCNBSA-N -1 0 374.397 -0.243 20 0 FBADRM C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC000820161171 601353736 /nfs/dbraw/zinc/35/37/36/601353736.db2.gz MLODTVSRUQLENQ-JTQLQIEISA-N -1 0 353.350 -0.013 20 0 FBADRM C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC000820161173 601353894 /nfs/dbraw/zinc/35/38/94/601353894.db2.gz MLODTVSRUQLENQ-SNVBAGLBSA-N -1 0 353.350 -0.013 20 0 FBADRM CC(C)Oc1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1-c1nn[nH]n1 ZINC000820161345 607438377 /nfs/dbraw/zinc/43/83/77/607438377.db2.gz VYZIITCOSCGSEH-UHFFFAOYSA-N -1 0 372.349 -0.578 20 0 FBADRM C[C@@H](OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000820166616 602013346 /nfs/dbraw/zinc/01/33/46/602013346.db2.gz ZZDGIQVSVONXKS-GMSGAONNSA-N -1 0 351.764 -0.005 20 0 FBADRM C[C@H](OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000820166691 602013224 /nfs/dbraw/zinc/01/32/24/602013224.db2.gz ZZDGIQVSVONXKS-OIBJUYFYSA-N -1 0 351.764 -0.005 20 0 FBADRM C[C@@H](OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000820166692 602013249 /nfs/dbraw/zinc/01/32/49/602013249.db2.gz ZZDGIQVSVONXKS-XCBNKYQSSA-N -1 0 351.764 -0.005 20 0 FBADRM C[C@H](OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000820166693 602013138 /nfs/dbraw/zinc/01/31/38/602013138.db2.gz ZZDGIQVSVONXKS-XVKPBYJWSA-N -1 0 351.764 -0.005 20 0 FBADRM CC(C)[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC000820183945 607223368 /nfs/dbraw/zinc/22/33/68/607223368.db2.gz OEULCAQMHOBVNM-JTQLQIEISA-N -1 0 350.383 -0.059 20 0 FBADRM CC(C)[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC000820183946 607224060 /nfs/dbraw/zinc/22/40/60/607224060.db2.gz OEULCAQMHOBVNM-SNVBAGLBSA-N -1 0 350.383 -0.059 20 0 FBADRM CC(C)c1nc2n(n1)C[C@H](NC(=O)Cn1cnc(-c3nnn[n-]3)n1)CC2 ZINC000820206595 607222918 /nfs/dbraw/zinc/22/29/18/607222918.db2.gz RMAGUVTVLOUWFS-SECBINFHSA-N -1 0 357.382 -0.696 20 0 FBADRM CC(C)c1nc2n(n1)C[C@@H](NC(=O)Cn1cnc(-c3nnn[n-]3)n1)CC2 ZINC000820206596 607222764 /nfs/dbraw/zinc/22/27/64/607222764.db2.gz RMAGUVTVLOUWFS-VIFPVBQESA-N -1 0 357.382 -0.696 20 0 FBADRM CC(C)c1ncc2c(n1)CN(C(=O)Cn1cnc(-c3nnn[n-]3)n1)CC2 ZINC000820206769 607219858 /nfs/dbraw/zinc/21/98/58/607219858.db2.gz ZZURPXXTOOKIOD-UHFFFAOYSA-N -1 0 354.378 -0.044 20 0 FBADRM CC(C)c1nncn1CCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820211269 606061060 /nfs/dbraw/zinc/06/10/60/606061060.db2.gz GFDQRZMWVLALNA-UHFFFAOYSA-N -1 0 360.382 -0.909 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)OCc2cn(CC(=O)[O-])nn2)C1=O ZINC000820211559 597358792 /nfs/dbraw/zinc/35/87/92/597358792.db2.gz AGFHZKAXERDMOD-AWEZNQCLSA-N -1 0 351.319 -0.874 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)OCc2cn(CC(=O)[O-])nn2)C1=O ZINC000820211564 597358743 /nfs/dbraw/zinc/35/87/43/597358743.db2.gz AGFHZKAXERDMOD-CQSZACIVSA-N -1 0 351.319 -0.874 20 0 FBADRM CC(C)n1ncc2c1C[C@H](NC(=O)Cn1cnc(-c3nnn[n-]3)n1)CC2 ZINC000820215092 607445829 /nfs/dbraw/zinc/44/58/29/607445829.db2.gz SNMQULLYIRPXKH-LLVKDONJSA-N -1 0 356.394 -0.091 20 0 FBADRM CC(C)n1ncc2c1C[C@@H](NC(=O)Cn1cnc(-c3nnn[n-]3)n1)CC2 ZINC000820215093 607446001 /nfs/dbraw/zinc/44/60/01/607446001.db2.gz SNMQULLYIRPXKH-NSHDSACASA-N -1 0 356.394 -0.091 20 0 FBADRM C[C@H](C[C@H](O)c1ccco1)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820231586 607045290 /nfs/dbraw/zinc/04/52/90/607045290.db2.gz BTOMOONYYBTFGM-BDAKNGLRSA-N -1 0 361.362 -0.219 20 0 FBADRM C[C@@H](C[C@@H](O)c1ccco1)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820231587 607045596 /nfs/dbraw/zinc/04/55/96/607045596.db2.gz BTOMOONYYBTFGM-DTWKUNHWSA-N -1 0 361.362 -0.219 20 0 FBADRM C[C@@H](C[C@H](O)c1ccco1)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820231588 607045602 /nfs/dbraw/zinc/04/56/02/607045602.db2.gz BTOMOONYYBTFGM-IUCAKERBSA-N -1 0 361.362 -0.219 20 0 FBADRM C[C@H](C[C@@H](O)c1ccco1)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820231589 607045297 /nfs/dbraw/zinc/04/52/97/607045297.db2.gz BTOMOONYYBTFGM-RKDXNWHRSA-N -1 0 361.362 -0.219 20 0 FBADRM C[C@H]1CCC[C@H](NC(=O)CN2CCN(CC(=O)NCC(=O)[O-])CC2)C1 ZINC000820234963 604949728 /nfs/dbraw/zinc/94/97/28/604949728.db2.gz DXTGORKQPINYQK-KBPBESRZSA-N -1 0 354.451 -0.500 20 0 FBADRM C[C@@H]1CCC[C@H](NC(=O)CN2CCN(CC(=O)NCC(=O)[O-])CC2)C1 ZINC000820234964 604949293 /nfs/dbraw/zinc/94/92/93/604949293.db2.gz DXTGORKQPINYQK-KGLIPLIRSA-N -1 0 354.451 -0.500 20 0 FBADRM C[C@H]1CCC[C@@H](NC(=O)CN2CCN(CC(=O)NCC(=O)[O-])CC2)C1 ZINC000820234965 604949522 /nfs/dbraw/zinc/94/95/22/604949522.db2.gz DXTGORKQPINYQK-UONOGXRCSA-N -1 0 354.451 -0.500 20 0 FBADRM C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(CC(=O)NCC(=O)[O-])CC2)C1 ZINC000820234966 604949280 /nfs/dbraw/zinc/94/92/80/604949280.db2.gz DXTGORKQPINYQK-ZIAGYGMSSA-N -1 0 354.451 -0.500 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)NCC(=O)[O-])C2=O ZINC000820235019 597822810 /nfs/dbraw/zinc/82/28/10/597822810.db2.gz GLEIUYZFBUNRKZ-UHFFFAOYSA-N -1 0 355.347 -0.769 20 0 FBADRM CC1CCC(NC(=O)CN2CCN(CC(=O)NCC(=O)[O-])CC2)CC1 ZINC000820235242 604945872 /nfs/dbraw/zinc/94/58/72/604945872.db2.gz IVLZBKVOFXSDQG-UHFFFAOYSA-N -1 0 354.451 -0.500 20 0 FBADRM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)NCC(=O)[O-])C2=O ZINC000820235284 597827841 /nfs/dbraw/zinc/82/78/41/597827841.db2.gz KVGNQZUYYBQVAG-BJOHPYRUSA-N -1 0 355.347 -0.769 20 0 FBADRM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)NCC(=O)[O-])C2=O ZINC000820235285 597827592 /nfs/dbraw/zinc/82/75/92/597827592.db2.gz KVGNQZUYYBQVAG-PSLIRLAXSA-N -1 0 355.347 -0.769 20 0 FBADRM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)NCC(=O)[O-])C2=O ZINC000820235286 597827828 /nfs/dbraw/zinc/82/78/28/597827828.db2.gz KVGNQZUYYBQVAG-RFAUZJTJSA-N -1 0 355.347 -0.769 20 0 FBADRM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)NCC(=O)[O-])C2=O ZINC000820235454 597827613 /nfs/dbraw/zinc/82/76/13/597827613.db2.gz KVGNQZUYYBQVAG-VFZGTOFNSA-N -1 0 355.347 -0.769 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1=O ZINC000820238646 661074162 /nfs/dbraw/zinc/07/41/62/661074162.db2.gz GPSWPDLYVXAUSA-CYBMUJFWSA-N -1 0 358.464 -0.133 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)cc1=O ZINC000820238647 661074102 /nfs/dbraw/zinc/07/41/02/661074102.db2.gz GPSWPDLYVXAUSA-ZDUSSCGKSA-N -1 0 358.464 -0.133 20 0 FBADRM C[C@H](CCNC(=O)Cn1cnc(-c2nnn[n-]2)n1)NC(=O)OC(C)(C)C ZINC000820240013 607212517 /nfs/dbraw/zinc/21/25/17/607212517.db2.gz BKUFOZFFDKDVKS-SECBINFHSA-N -1 0 365.398 -0.122 20 0 FBADRM C[C@@H](CCNC(=O)Cn1cnc(-c2nnn[n-]2)n1)NC(=O)OC(C)(C)C ZINC000820240018 607212323 /nfs/dbraw/zinc/21/23/23/607212323.db2.gz BKUFOZFFDKDVKS-VIFPVBQESA-N -1 0 365.398 -0.122 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnc2)cc1 ZINC000820246971 661074114 /nfs/dbraw/zinc/07/41/14/661074114.db2.gz OOKFQGPUTQHKDC-UHFFFAOYSA-N -1 0 353.404 -0.251 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C ZINC000820247713 661074485 /nfs/dbraw/zinc/07/44/85/661074485.db2.gz WBJRILJDBGKIJH-ZJUUUORDSA-N -1 0 351.425 -0.161 20 0 FBADRM C[C@@H]1Cc2cc(C(=O)OCC(=O)NCC(=O)[O-])ccc2N1S(C)(=O)=O ZINC000820251932 597831163 /nfs/dbraw/zinc/83/11/63/597831163.db2.gz QZEYHVIWCRJGHD-SECBINFHSA-N -1 0 370.383 -0.245 20 0 FBADRM C[C@H]1Cc2cc(C(=O)OCC(=O)NCC(=O)[O-])ccc2N1S(C)(=O)=O ZINC000820251933 597831135 /nfs/dbraw/zinc/83/11/35/597831135.db2.gz QZEYHVIWCRJGHD-VIFPVBQESA-N -1 0 370.383 -0.245 20 0 FBADRM C[C@@H]1Oc2ccccc2N(CCC(=O)OCC(=O)NCC(=O)[O-])C1=O ZINC000820257090 597827211 /nfs/dbraw/zinc/82/72/11/597827211.db2.gz VKIXCJJZOJFCCE-JTQLQIEISA-N -1 0 350.327 -0.065 20 0 FBADRM C[C@H]1Oc2ccccc2N(CCC(=O)OCC(=O)NCC(=O)[O-])C1=O ZINC000820257091 597827157 /nfs/dbraw/zinc/82/71/57/597827157.db2.gz VKIXCJJZOJFCCE-SNVBAGLBSA-N -1 0 350.327 -0.065 20 0 FBADRM C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820269119 607216012 /nfs/dbraw/zinc/21/60/12/607216012.db2.gz HOQUAFTUKQZZAA-SECBINFHSA-N -1 0 365.398 -0.170 20 0 FBADRM C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820269120 607216156 /nfs/dbraw/zinc/21/61/56/607216156.db2.gz HOQUAFTUKQZZAA-VIFPVBQESA-N -1 0 365.398 -0.170 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000820281776 661075149 /nfs/dbraw/zinc/07/51/49/661075149.db2.gz GWWOGJLDNWQDPO-LURJTMIESA-N -1 0 361.767 -0.220 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)ccc1Cl ZINC000820282070 661075126 /nfs/dbraw/zinc/07/51/26/661075126.db2.gz JKJNISWJQNYSLR-UHFFFAOYSA-N -1 0 361.767 -0.023 20 0 FBADRM O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nn1c(=O)[n-][nH]c1=O ZINC000820283798 661075087 /nfs/dbraw/zinc/07/50/87/661075087.db2.gz ZQMBYUFTIMLCTM-UHFFFAOYSA-N -1 0 370.343 -0.605 20 0 FBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000820287975 661074957 /nfs/dbraw/zinc/07/49/57/661074957.db2.gz GOFAZYJFXQUOSK-UHFFFAOYSA-N -1 0 371.350 -0.003 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CCC(=O)Nn2c(=O)[n-][nH]c2=O)CC1 ZINC000820288351 661075022 /nfs/dbraw/zinc/07/50/22/661075022.db2.gz JEMCXXMNXLOPBW-UHFFFAOYSA-N -1 0 356.383 -0.298 20 0 FBADRM CC[C@@]1(c2cnn(C)c2)NC(=O)N(CN2CCO[C@@H](C(=O)[O-])C2)C1=O ZINC000820290500 597393537 /nfs/dbraw/zinc/39/35/37/597393537.db2.gz KGCYELJOJOIFCO-ABAIWWIYSA-N -1 0 351.363 -0.680 20 0 FBADRM CC[C@]1(c2cnn(C)c2)NC(=O)N(CN2CCO[C@@H](C(=O)[O-])C2)C1=O ZINC000820290506 597393637 /nfs/dbraw/zinc/39/36/37/597393637.db2.gz KGCYELJOJOIFCO-IAQYHMDHSA-N -1 0 351.363 -0.680 20 0 FBADRM CC[C@@]1(c2cnn(C)c2)NC(=O)N(CN2CCO[C@H](C(=O)[O-])C2)C1=O ZINC000820290508 597393688 /nfs/dbraw/zinc/39/36/88/597393688.db2.gz KGCYELJOJOIFCO-NHYWBVRUSA-N -1 0 351.363 -0.680 20 0 FBADRM CC[C@]1(c2cnn(C)c2)NC(=O)N(CN2CCO[C@H](C(=O)[O-])C2)C1=O ZINC000820290510 597393708 /nfs/dbraw/zinc/39/37/08/597393708.db2.gz KGCYELJOJOIFCO-XHDPSFHLSA-N -1 0 351.363 -0.680 20 0 FBADRM CCC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)NCC(=O)[O-])C2=O ZINC000820290620 597831120 /nfs/dbraw/zinc/83/11/20/597831120.db2.gz MLFWMMUEOQSTDN-UHFFFAOYSA-N -1 0 369.374 -0.379 20 0 FBADRM O=C(CSCc1cc(=O)n2ccsc2n1)Nn1c(=O)[n-][nH]c1=O ZINC000820291381 661074971 /nfs/dbraw/zinc/07/49/71/661074971.db2.gz GETGQNXWDUCARK-UHFFFAOYSA-N -1 0 354.373 -0.238 20 0 FBADRM CN(CC(=O)Nn1c(=O)[n-][nH]c1=O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000820291746 661075002 /nfs/dbraw/zinc/07/50/02/661075002.db2.gz KVDLNRKNIJWFQM-UHFFFAOYSA-N -1 0 361.767 -0.267 20 0 FBADRM O=C(CNS(=O)(=O)c1ccc(Cl)s1)Nn1c(=O)[n-][nH]c1=O ZINC000820292031 661075095 /nfs/dbraw/zinc/07/50/95/661075095.db2.gz NBJHJNZYRPWIDS-UHFFFAOYSA-N -1 0 353.769 -0.547 20 0 FBADRM O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nn1c(=O)[n-][nH]c1=O ZINC000820292071 661074929 /nfs/dbraw/zinc/07/49/29/661074929.db2.gz ORORYSSUGZAALN-UHFFFAOYSA-N -1 0 373.416 -0.152 20 0 FBADRM COc1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc1S(=O)(=O)NC(C)C ZINC000820292123 661074984 /nfs/dbraw/zinc/07/49/84/661074984.db2.gz PVGPJJPEAMIGDY-UHFFFAOYSA-N -1 0 371.375 -0.232 20 0 FBADRM COCCNC(=O)CSc1ccccc1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000820292521 661074977 /nfs/dbraw/zinc/07/49/77/661074977.db2.gz UDKVVUAOVCAXFH-UHFFFAOYSA-N -1 0 367.387 -0.072 20 0 FBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000820292893 661075367 /nfs/dbraw/zinc/07/53/67/661075367.db2.gz WYZPMWCJPOODHB-NXEZZACHSA-N -1 0 367.362 -0.259 20 0 FBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000820292895 661075282 /nfs/dbraw/zinc/07/52/82/661075282.db2.gz WYZPMWCJPOODHB-UWVGGRQHSA-N -1 0 367.362 -0.259 20 0 FBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000820292897 661075416 /nfs/dbraw/zinc/07/54/16/661075416.db2.gz WYZPMWCJPOODHB-VHSXEESVSA-N -1 0 367.362 -0.259 20 0 FBADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000820292899 661075370 /nfs/dbraw/zinc/07/53/70/661075370.db2.gz WYZPMWCJPOODHB-ZJUUUORDSA-N -1 0 367.362 -0.259 20 0 FBADRM C[C@@H](N1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC000820306913 607221367 /nfs/dbraw/zinc/22/13/67/607221367.db2.gz HEZDPEBYBFWBTN-MRVPVSSYSA-N -1 0 359.316 -0.447 20 0 FBADRM C[C@H](N1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC000820306914 607221234 /nfs/dbraw/zinc/22/12/34/607221234.db2.gz HEZDPEBYBFWBTN-QMMMGPOBSA-N -1 0 359.316 -0.447 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnc2)cc1 ZINC000820318650 661075258 /nfs/dbraw/zinc/07/52/58/661075258.db2.gz CXFCWXGNZRHOKD-UHFFFAOYSA-N -1 0 368.415 -0.081 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)NCC(=O)[O-] ZINC000820325840 597835945 /nfs/dbraw/zinc/83/59/45/597835945.db2.gz CCDPGHDJMSVIGR-JTQLQIEISA-N -1 0 350.393 -0.675 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NCC(=O)[O-] ZINC000820325841 597835910 /nfs/dbraw/zinc/83/59/10/597835910.db2.gz CCDPGHDJMSVIGR-SNVBAGLBSA-N -1 0 350.393 -0.675 20 0 FBADRM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCc1cn(CC(=O)[O-])nn1 ZINC000820325869 597359970 /nfs/dbraw/zinc/35/99/70/597359970.db2.gz GWHYOYLVMOGOAQ-LLVKDONJSA-N -1 0 360.392 -0.390 20 0 FBADRM CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCc1cn(CC(=O)[O-])nn1 ZINC000820325870 597359808 /nfs/dbraw/zinc/35/98/08/597359808.db2.gz GWHYOYLVMOGOAQ-NSHDSACASA-N -1 0 360.392 -0.390 20 0 FBADRM CCN(CC(=O)NCC(=O)[O-])CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000820332972 601911193 /nfs/dbraw/zinc/91/11/93/601911193.db2.gz OOYVKDQXRZXJSG-UHFFFAOYSA-N -1 0 351.359 -0.081 20 0 FBADRM CCN(C1CC1)S(=O)(=O)c1c(C)nn(CC(=O)NCC(=O)[O-])c1C ZINC000820333155 597760187 /nfs/dbraw/zinc/76/01/87/597760187.db2.gz UAYONYYGWKTTHH-UHFFFAOYSA-N -1 0 358.420 -0.126 20 0 FBADRM C[C@@H](NC(=O)Cn1cccc(-c2nnn[n-]2)c1=O)C(=O)N1CCCCC1 ZINC000820333640 606824348 /nfs/dbraw/zinc/82/43/48/606824348.db2.gz FKYKUXZZOMZBQT-LLVKDONJSA-N -1 0 359.390 -0.454 20 0 FBADRM C[C@H](NC(=O)Cn1cccc(-c2nnn[n-]2)c1=O)C(=O)N1CCCCC1 ZINC000820333641 606824328 /nfs/dbraw/zinc/82/43/28/606824328.db2.gz FKYKUXZZOMZBQT-NSHDSACASA-N -1 0 359.390 -0.454 20 0 FBADRM C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccc2c(c1)CC(=O)N2C ZINC000820334066 607212953 /nfs/dbraw/zinc/21/29/53/607212953.db2.gz KEUURUDOZFXQFE-SECBINFHSA-N -1 0 367.373 -0.146 20 0 FBADRM C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccc2c(c1)CC(=O)N2C ZINC000820334067 607213040 /nfs/dbraw/zinc/21/30/40/607213040.db2.gz KEUURUDOZFXQFE-VIFPVBQESA-N -1 0 367.373 -0.146 20 0 FBADRM C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C(=O)NCc1ccccc1 ZINC000820334202 607210066 /nfs/dbraw/zinc/21/00/66/607210066.db2.gz LCHQXBQEQKHAJY-JTQLQIEISA-N -1 0 355.362 -0.721 20 0 FBADRM C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C(=O)NCc1ccccc1 ZINC000820334203 607210033 /nfs/dbraw/zinc/21/00/33/607210033.db2.gz LCHQXBQEQKHAJY-SNVBAGLBSA-N -1 0 355.362 -0.721 20 0 FBADRM C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1cn(-c2ccccc2)nn1 ZINC000820334529 607223534 /nfs/dbraw/zinc/22/35/34/607223534.db2.gz NBFLZBWTOVITGX-JTQLQIEISA-N -1 0 365.361 -0.084 20 0 FBADRM C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1cn(-c2ccccc2)nn1 ZINC000820334530 607223371 /nfs/dbraw/zinc/22/33/71/607223371.db2.gz NBFLZBWTOVITGX-SNVBAGLBSA-N -1 0 365.361 -0.084 20 0 FBADRM C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820334985 607208182 /nfs/dbraw/zinc/20/81/82/607208182.db2.gz SBIXPEJKZJAPHE-SSDOTTSWSA-N -1 0 354.334 -0.083 20 0 FBADRM C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820334986 607208046 /nfs/dbraw/zinc/20/80/46/607208046.db2.gz SBIXPEJKZJAPHE-ZETCQYMHSA-N -1 0 354.334 -0.083 20 0 FBADRM C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccc(-n2cncn2)cc1 ZINC000820335398 607205840 /nfs/dbraw/zinc/20/58/40/607205840.db2.gz XVJDJNWRFWBNHK-JTQLQIEISA-N -1 0 365.361 -0.084 20 0 FBADRM C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccc(-n2cncn2)cc1 ZINC000820335399 607205890 /nfs/dbraw/zinc/20/58/90/607205890.db2.gz XVJDJNWRFWBNHK-SNVBAGLBSA-N -1 0 365.361 -0.084 20 0 FBADRM C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccc(NC(N)=O)cc1 ZINC000820335479 607208010 /nfs/dbraw/zinc/20/80/10/607208010.db2.gz YVMIZEJQLVDITO-MRVPVSSYSA-N -1 0 356.350 -0.174 20 0 FBADRM C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccc(NC(N)=O)cc1 ZINC000820335483 607208097 /nfs/dbraw/zinc/20/80/97/607208097.db2.gz YVMIZEJQLVDITO-QMMMGPOBSA-N -1 0 356.350 -0.174 20 0 FBADRM CCN1C(=O)c2ccc(C(=O)OCC(=O)NCC(=O)[O-])cc2S1(=O)=O ZINC000820347944 597837328 /nfs/dbraw/zinc/83/73/28/597837328.db2.gz AUMCZFNWTYXHGS-UHFFFAOYSA-N -1 0 370.339 -0.791 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3ccccc3C(=O)[O-])CCN2C1=O ZINC000820348415 598175512 /nfs/dbraw/zinc/17/55/12/598175512.db2.gz URNUJVOBASHUKJ-GFCCVEGCSA-N -1 0 374.353 -0.182 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3ccccc3C(=O)[O-])CCN2C1=O ZINC000820348417 598175538 /nfs/dbraw/zinc/17/55/38/598175538.db2.gz URNUJVOBASHUKJ-LBPRGKRZSA-N -1 0 374.353 -0.182 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000820353761 598173453 /nfs/dbraw/zinc/17/34/53/598173453.db2.gz BDLPWGPUFGPNJJ-UHFFFAOYSA-N -1 0 362.386 -0.396 20 0 FBADRM CCNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)NCC(=O)[O-])c1 ZINC000820360793 597823913 /nfs/dbraw/zinc/82/39/13/597823913.db2.gz FTPFVJYRBYFSNQ-UHFFFAOYSA-N -1 0 358.372 -0.349 20 0 FBADRM CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)NCC(=O)[O-] ZINC000820360865 597744641 /nfs/dbraw/zinc/74/46/41/597744641.db2.gz IFOPVKGRITZOPD-UHFFFAOYSA-N -1 0 358.420 -0.019 20 0 FBADRM CCNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NCC(=O)[O-])c1 ZINC000820361349 597835881 /nfs/dbraw/zinc/83/58/81/597835881.db2.gz ZQSKAZGGQLGEIJ-UHFFFAOYSA-N -1 0 362.335 -0.519 20 0 FBADRM CCOC(=O)Cn1cccc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1=O ZINC000820364585 604491029 /nfs/dbraw/zinc/49/10/29/604491029.db2.gz OLOMFNKZKCDEDZ-LLVKDONJSA-N -1 0 353.331 -0.271 20 0 FBADRM CCOC(=O)Cn1cccc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)c1=O ZINC000820364586 604490718 /nfs/dbraw/zinc/49/07/18/604490718.db2.gz OLOMFNKZKCDEDZ-NSHDSACASA-N -1 0 353.331 -0.271 20 0 FBADRM CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1=O ZINC000820364681 604492459 /nfs/dbraw/zinc/49/24/59/604492459.db2.gz RREIUNLLCCRCEZ-JTQLQIEISA-N -1 0 365.342 -0.717 20 0 FBADRM CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1=O ZINC000820364687 604492550 /nfs/dbraw/zinc/49/25/50/604492550.db2.gz RREIUNLLCCRCEZ-SNVBAGLBSA-N -1 0 365.342 -0.717 20 0 FBADRM CCOC(=O)c1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1C ZINC000820369154 661075574 /nfs/dbraw/zinc/07/55/74/661075574.db2.gz RJQDXOAZXWUSCJ-LLVKDONJSA-N -1 0 353.331 -0.548 20 0 FBADRM CCOC(=O)c1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cn1C ZINC000820369155 661075716 /nfs/dbraw/zinc/07/57/16/661075716.db2.gz RJQDXOAZXWUSCJ-NSHDSACASA-N -1 0 353.331 -0.548 20 0 FBADRM CCOC(=O)c1ccc(N2CCN(CC(=O)NCC(=O)[O-])CC2)nc1 ZINC000820373524 597770490 /nfs/dbraw/zinc/77/04/90/597770490.db2.gz ABFCWGPGZQAWAA-UHFFFAOYSA-N -1 0 350.375 -0.419 20 0 FBADRM CCOC(=O)c1cnc(N2CCN(CC(=O)NCC(=O)[O-])CC2)s1 ZINC000820373807 600847738 /nfs/dbraw/zinc/84/77/38/600847738.db2.gz IAVCEBVRYGTGAK-UHFFFAOYSA-N -1 0 356.404 -0.357 20 0 FBADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000820374206 597818840 /nfs/dbraw/zinc/81/88/40/597818840.db2.gz MUWMFDMXDCOXGT-UHFFFAOYSA-N -1 0 352.347 -0.142 20 0 FBADRM CCOC(=O)c1ccc(N2CCCN(CC(=O)NCC(=O)[O-])CC2)nc1 ZINC000820374416 597794558 /nfs/dbraw/zinc/79/45/58/597794558.db2.gz QHEZOKVLXAPQIN-UHFFFAOYSA-N -1 0 364.402 -0.029 20 0 FBADRM CCOc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)NCC(=O)[O-] ZINC000820387424 597746442 /nfs/dbraw/zinc/74/64/42/597746442.db2.gz PDFCGSVCPHRQPF-UHFFFAOYSA-N -1 0 359.404 -0.052 20 0 FBADRM CCOc1ccc(NCC(=O)NCC(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000820387489 597744581 /nfs/dbraw/zinc/74/45/81/597744581.db2.gz RLPAULDIQQXTSN-UHFFFAOYSA-N -1 0 359.404 -0.052 20 0 FBADRM CCNS(=O)(=O)c1ccc(F)c(C(=O)[N-]n2cnn(CC)c2=O)c1 ZINC000820390848 661075978 /nfs/dbraw/zinc/07/59/78/661075978.db2.gz FWBZCUDKRDPSGO-UHFFFAOYSA-N -1 0 357.367 -0.114 20 0 FBADRM CCn1ncn([N-]C(=O)c2nc3ncc(Br)cn3n2)c1=O ZINC000820392148 661075964 /nfs/dbraw/zinc/07/59/64/661075964.db2.gz VBBMMLCPFVRRCQ-UHFFFAOYSA-N -1 0 353.140 -0.351 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820398173 598174007 /nfs/dbraw/zinc/17/40/07/598174007.db2.gz FXMGJOHVJRUXTD-UHFFFAOYSA-N -1 0 357.388 -0.231 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)OCc2cn(CC(=O)[O-])nn2)CC1 ZINC000820398196 597355989 /nfs/dbraw/zinc/35/59/89/597355989.db2.gz HFGNURFSFZHQIM-UHFFFAOYSA-N -1 0 360.392 -0.532 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)OCc2cn(CC(=O)[O-])nn2)C1 ZINC000820398360 597361218 /nfs/dbraw/zinc/36/12/18/597361218.db2.gz QGUUJHWJMFALNP-JTQLQIEISA-N -1 0 360.392 -0.532 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)OCc2cn(CC(=O)[O-])nn2)C1 ZINC000820398361 597360945 /nfs/dbraw/zinc/36/09/45/597360945.db2.gz QGUUJHWJMFALNP-SNVBAGLBSA-N -1 0 360.392 -0.532 20 0 FBADRM CC[C@@H](NC(=O)C(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000820405385 597343904 /nfs/dbraw/zinc/34/39/04/597343904.db2.gz HZKGGHKCGDKDAR-NXEZZACHSA-N -1 0 372.403 -0.531 20 0 FBADRM CC[C@@H](NC(=O)C(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000820405386 597344400 /nfs/dbraw/zinc/34/44/00/597344400.db2.gz HZKGGHKCGDKDAR-VHSXEESVSA-N -1 0 372.403 -0.531 20 0 FBADRM CC[C@@H](NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)C(=O)[O-] ZINC000820405407 597344415 /nfs/dbraw/zinc/34/44/15/597344415.db2.gz JDZCQEUZODWWED-GFCCVEGCSA-N -1 0 353.379 -0.867 20 0 FBADRM CC[C@@H](NC(=O)Cc1c(C)nn(-c2cncc3nnnn32)c1C)C(=O)[O-] ZINC000820411596 597367900 /nfs/dbraw/zinc/36/79/00/597367900.db2.gz UXKNIAAMUHGUTH-LLVKDONJSA-N -1 0 358.362 -0.156 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1)C(=O)[O-] ZINC000820425417 598094602 /nfs/dbraw/zinc/09/46/02/598094602.db2.gz SDIOKGIUWJRYKZ-UFBFGSQYSA-N -1 0 353.379 -0.508 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)C(=O)[O-] ZINC000820429781 597409595 /nfs/dbraw/zinc/40/95/95/597409595.db2.gz GSWXWTKVNWQVJT-CABZTGNLSA-N -1 0 353.379 -0.475 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000820429798 597399566 /nfs/dbraw/zinc/39/95/66/597399566.db2.gz IQSWUSUOYGUUFM-CWSCBRNRSA-N -1 0 373.431 -0.233 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000820429799 597399672 /nfs/dbraw/zinc/39/96/72/597399672.db2.gz IQSWUSUOYGUUFM-KWBADKCTSA-N -1 0 373.431 -0.233 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)C(=O)[O-] ZINC000820429832 597410279 /nfs/dbraw/zinc/41/02/79/597410279.db2.gz KYNMBQAIQDXWLO-CABZTGNLSA-N -1 0 353.379 -0.475 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000820429885 597411498 /nfs/dbraw/zinc/41/14/98/597411498.db2.gz PJDYLNQCCFHBKS-KWQFWETISA-N -1 0 357.388 -0.112 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1)C(=O)[O-] ZINC000820430183 597411346 /nfs/dbraw/zinc/41/13/46/597411346.db2.gz UGXIJFVUHCRFRE-XVKPBYJWSA-N -1 0 352.347 -0.257 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000820430199 597410061 /nfs/dbraw/zinc/41/00/61/597410061.db2.gz URIBGJYIPFJRDX-KWQFWETISA-N -1 0 357.388 -0.112 20 0 FBADRM C[C@@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)c1nnc2n1CCCC2 ZINC000820451670 607027377 /nfs/dbraw/zinc/02/73/77/607027377.db2.gz WPTMNFVBSJLCRQ-MRVPVSSYSA-N -1 0 372.393 -0.635 20 0 FBADRM C[C@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)c1nnc2n1CCCC2 ZINC000820451677 607027200 /nfs/dbraw/zinc/02/72/00/607027200.db2.gz WPTMNFVBSJLCRQ-QMMMGPOBSA-N -1 0 372.393 -0.635 20 0 FBADRM C[C@](O)(CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccc(F)cc1F ZINC000820468492 607220680 /nfs/dbraw/zinc/22/06/80/607220680.db2.gz UOOMEBBMGQODFV-AWEZNQCLSA-N -1 0 364.316 -0.240 20 0 FBADRM C[C@@](O)(CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccc(F)cc1F ZINC000820468498 607220612 /nfs/dbraw/zinc/22/06/12/607220612.db2.gz UOOMEBBMGQODFV-CQSZACIVSA-N -1 0 364.316 -0.240 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnc2)cc1 ZINC000820469355 661076196 /nfs/dbraw/zinc/07/61/96/661076196.db2.gz OFPKKXZNLXWMGY-UHFFFAOYSA-N -1 0 352.372 -0.181 20 0 FBADRM O=C(c1cnc(I)c([O-])c1)N1C[C@H](O)C[C@H](O)C1 ZINC000820501216 661076465 /nfs/dbraw/zinc/07/64/65/661076465.db2.gz HNHDPGMOBWNHRQ-OCAPTIKFSA-N -1 0 364.139 -0.041 20 0 FBADRM CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)NCC(=O)[O-] ZINC000820507210 597750655 /nfs/dbraw/zinc/75/06/55/597750655.db2.gz YXRQEPLQJPLTGI-UHFFFAOYSA-N -1 0 372.428 -0.004 20 0 FBADRM CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000820530333 605035071 /nfs/dbraw/zinc/03/50/71/605035071.db2.gz CIRDPFUALHCPPW-UHFFFAOYSA-N -1 0 363.370 -0.432 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000820530365 605057186 /nfs/dbraw/zinc/05/71/86/605057186.db2.gz FUCCXXYBDPLOMR-UHFFFAOYSA-N -1 0 362.386 -0.444 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)n1 ZINC000820530382 597726463 /nfs/dbraw/zinc/72/64/63/597726463.db2.gz GYLUHMHZBSZKMC-JTQLQIEISA-N -1 0 366.378 -0.982 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)n1 ZINC000820530383 597726506 /nfs/dbraw/zinc/72/65/06/597726506.db2.gz GYLUHMHZBSZKMC-SNVBAGLBSA-N -1 0 366.378 -0.982 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)n1 ZINC000820530455 597725335 /nfs/dbraw/zinc/72/53/35/597725335.db2.gz MHZWONLOPYPSIS-UHFFFAOYSA-N -1 0 374.357 -0.681 20 0 FBADRM CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000820530467 605035144 /nfs/dbraw/zinc/03/51/44/605035144.db2.gz MVCVCNIPURVGDR-UHFFFAOYSA-N -1 0 363.370 -0.432 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)n1 ZINC000820530482 598148069 /nfs/dbraw/zinc/14/80/69/598148069.db2.gz NVAHZYXEWIXMGD-UHFFFAOYSA-N -1 0 365.390 -0.331 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCc2cccc(C(=O)[O-])c2)n1 ZINC000820530495 598190560 /nfs/dbraw/zinc/19/05/60/598190560.db2.gz PBALFKAXYQWMIX-UHFFFAOYSA-N -1 0 373.369 -0.076 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NCc2cccc(C(=O)[O-])c2)n1 ZINC000820530531 597726545 /nfs/dbraw/zinc/72/65/45/597726545.db2.gz RXKGFBPJKXOYGB-UHFFFAOYSA-N -1 0 374.357 -0.681 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)cn1 ZINC000820530563 598148509 /nfs/dbraw/zinc/14/85/09/598148509.db2.gz UXCWPIPPTVODBI-UHFFFAOYSA-N -1 0 365.390 -0.331 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)NCc2cccc(C(=O)[O-])c2)cn1 ZINC000820530660 601970799 /nfs/dbraw/zinc/97/07/99/601970799.db2.gz ZCUFNWRRRLXCIM-UHFFFAOYSA-N -1 0 373.369 -0.076 20 0 FBADRM CN(C)CCS(=O)(=O)c1ccccc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000820543561 598091405 /nfs/dbraw/zinc/09/14/05/598091405.db2.gz JBDZAWPCAKSZNO-CYBMUJFWSA-N -1 0 370.427 -0.053 20 0 FBADRM CN(C)CCS(=O)(=O)c1ccccc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000820543563 598091457 /nfs/dbraw/zinc/09/14/57/598091457.db2.gz JBDZAWPCAKSZNO-ZDUSSCGKSA-N -1 0 370.427 -0.053 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C[S@@](=O)CC(=O)NCC(=O)[O-])cc1 ZINC000820543619 597738040 /nfs/dbraw/zinc/73/80/40/597738040.db2.gz LFLJBIQZQHPJKI-JOCHJYFZSA-N -1 0 362.429 -0.614 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C[S@](=O)CC(=O)NCC(=O)[O-])cc1 ZINC000820543621 597738049 /nfs/dbraw/zinc/73/80/49/597738049.db2.gz LFLJBIQZQHPJKI-QFIPXVFZSA-N -1 0 362.429 -0.614 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NCC(=O)[O-])c1 ZINC000820543664 597827469 /nfs/dbraw/zinc/82/74/69/597827469.db2.gz MTXOPVTVUGQRAC-UHFFFAOYSA-N -1 0 362.335 -0.566 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)OCc2cn(CC(=O)[O-])nn2)o1 ZINC000820543676 597359960 /nfs/dbraw/zinc/35/99/60/597359960.db2.gz NOCQKCOWOFZJDI-UHFFFAOYSA-N -1 0 358.332 -0.437 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)OCc2cn(CC(=O)[O-])nn2)n(C)c1 ZINC000820543782 598213197 /nfs/dbraw/zinc/21/31/97/598213197.db2.gz RJYFIRCUZAVQMM-UHFFFAOYSA-N -1 0 371.375 -0.692 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)OCC(=O)NCC(=O)[O-])ccc1F ZINC000820543920 597836065 /nfs/dbraw/zinc/83/60/65/597836065.db2.gz VUDDGOQVOOWTKI-UHFFFAOYSA-N -1 0 362.335 -0.566 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)OCc2cn(CC(=O)[O-])nn2)co1 ZINC000820544055 597406953 /nfs/dbraw/zinc/40/69/53/597406953.db2.gz YAKABZPVTJJBHQ-UHFFFAOYSA-N -1 0 358.332 -0.437 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000820547842 597722867 /nfs/dbraw/zinc/72/28/67/597722867.db2.gz HGEGKAPNWZRSHJ-CYBMUJFWSA-N -1 0 371.415 -0.068 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000820547844 597722707 /nfs/dbraw/zinc/72/27/07/597722707.db2.gz HGEGKAPNWZRSHJ-ZDUSSCGKSA-N -1 0 371.415 -0.068 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(C(=O)OCc2cn(CC(=O)[O-])nn2)c1 ZINC000820547929 597361089 /nfs/dbraw/zinc/36/10/89/597361089.db2.gz OPXARRSDKFGRFW-UHFFFAOYSA-N -1 0 368.371 -0.030 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(C[S@@](=O)CC(=O)NCC(=O)[O-])c1 ZINC000820548102 597735645 /nfs/dbraw/zinc/73/56/45/597735645.db2.gz YELVWOGUHXWGRW-JOCHJYFZSA-N -1 0 362.429 -0.614 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(C[S@](=O)CC(=O)NCC(=O)[O-])c1 ZINC000820548103 597735505 /nfs/dbraw/zinc/73/55/05/597735505.db2.gz YELVWOGUHXWGRW-QFIPXVFZSA-N -1 0 362.429 -0.614 20 0 FBADRM CN(CC(=O)NCC(=O)[O-])CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000820554445 597769587 /nfs/dbraw/zinc/76/95/87/597769587.db2.gz RAHWKFRJMKMYBG-UHFFFAOYSA-N -1 0 364.402 -0.406 20 0 FBADRM CN(CC(=O)NCC(=O)[O-])CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000820554552 597792950 /nfs/dbraw/zinc/79/29/50/597792950.db2.gz VQXAHGXSLUFUMN-UHFFFAOYSA-N -1 0 372.422 -0.802 20 0 FBADRM CN(CC(=O)NCC(=O)[O-])c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000820562583 597744674 /nfs/dbraw/zinc/74/46/74/597744674.db2.gz MYBGKKPEFSJTDL-UHFFFAOYSA-N -1 0 361.358 -0.784 20 0 FBADRM C[C@H](c1cccnc1)N1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000820570132 607217353 /nfs/dbraw/zinc/21/73/53/607217353.db2.gz DTJKTCNGWXQDHW-GFCCVEGCSA-N -1 0 368.405 -0.241 20 0 FBADRM C[C@@H](c1cccnc1)N1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000820570134 607217212 /nfs/dbraw/zinc/21/72/12/607217212.db2.gz DTJKTCNGWXQDHW-LBPRGKRZSA-N -1 0 368.405 -0.241 20 0 FBADRM CN(CC(=O)OCc1cn(CC(=O)[O-])nn1)S(=O)(=O)c1cccnc1 ZINC000820574405 597357655 /nfs/dbraw/zinc/35/76/55/597357655.db2.gz XLYODVAEUFLHQZ-UHFFFAOYSA-N -1 0 369.359 -0.878 20 0 FBADRM CN(CCN1CCCS1(=O)=O)C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820597236 598175034 /nfs/dbraw/zinc/17/50/34/598175034.db2.gz ICORDEXNZAWINA-UHFFFAOYSA-N -1 0 369.399 -0.183 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnc2)cc1 ZINC000820601532 661076802 /nfs/dbraw/zinc/07/68/02/661076802.db2.gz UZYSZLOUPPOHRC-JTQLQIEISA-N -1 0 352.372 -0.183 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnc2)cc1 ZINC000820601534 661076823 /nfs/dbraw/zinc/07/68/23/661076823.db2.gz UZYSZLOUPPOHRC-SNVBAGLBSA-N -1 0 352.372 -0.183 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C ZINC000820605182 661076675 /nfs/dbraw/zinc/07/66/75/661076675.db2.gz FSCFTXDTMYKPDQ-HLTSFMKQSA-N -1 0 350.393 -0.093 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C ZINC000820605191 661077063 /nfs/dbraw/zinc/07/70/63/661077063.db2.gz FSCFTXDTMYKPDQ-YIZRAAEISA-N -1 0 350.393 -0.093 20 0 FBADRM CN1C(=O)NC2(CCN(C(=O)C(=O)Nc3ccccc3C(=O)[O-])CC2)C1=O ZINC000820614196 598175901 /nfs/dbraw/zinc/17/59/01/598175901.db2.gz AVURCCJSDHGPQV-UHFFFAOYSA-N -1 0 374.353 -0.134 20 0 FBADRM CN1C(=O)N[C@]2(CCN(C(=O)C(=O)Nc3ccccc3C(=O)[O-])C2)C1=O ZINC000820614274 598175714 /nfs/dbraw/zinc/17/57/14/598175714.db2.gz DEKCZMLICKFCPY-INIZCTEOSA-N -1 0 360.326 -0.524 20 0 FBADRM CN1C(=O)N[C@@]2(CCN(C(=O)C(=O)Nc3ccccc3C(=O)[O-])C2)C1=O ZINC000820614275 598175735 /nfs/dbraw/zinc/17/57/35/598175735.db2.gz DEKCZMLICKFCPY-MRXNPFEDSA-N -1 0 360.326 -0.524 20 0 FBADRM CN1C(=O)N(CC(=O)OCC(=O)NCC(=O)[O-])C(=O)C12CCCCC2 ZINC000820614578 597825841 /nfs/dbraw/zinc/82/58/41/597825841.db2.gz HXTCMONKZSBNOU-UHFFFAOYSA-N -1 0 355.347 -0.673 20 0 FBADRM CN1C(=O)N[C@]2(CCN(C(=O)C(=O)Nc3ccccc3CC(=O)[O-])C2)C1=O ZINC000820615313 597354875 /nfs/dbraw/zinc/35/48/75/597354875.db2.gz PDRQMVZUGDLYEV-KRWDZBQOSA-N -1 0 374.353 -0.595 20 0 FBADRM CN1C(=O)N[C@@]2(CCN(C(=O)C(=O)Nc3ccccc3CC(=O)[O-])C2)C1=O ZINC000820615326 597354777 /nfs/dbraw/zinc/35/47/77/597354777.db2.gz PDRQMVZUGDLYEV-QGZVFWFLSA-N -1 0 374.353 -0.595 20 0 FBADRM CN1C(=O)N[C@]2(CCN(C(=O)C(=O)Nc3cccc(CC(=O)[O-])c3)C2)C1=O ZINC000820615426 597354846 /nfs/dbraw/zinc/35/48/46/597354846.db2.gz SLNPRHSRKCCYSQ-KRWDZBQOSA-N -1 0 374.353 -0.595 20 0 FBADRM CN1C(=O)N[C@@]2(CCN(C(=O)C(=O)Nc3cccc(CC(=O)[O-])c3)C2)C1=O ZINC000820615431 597354682 /nfs/dbraw/zinc/35/46/82/597354682.db2.gz SLNPRHSRKCCYSQ-QGZVFWFLSA-N -1 0 374.353 -0.595 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000820625912 605894338 /nfs/dbraw/zinc/89/43/38/605894338.db2.gz CLJYHIFVAZKWMR-UHFFFAOYSA-N -1 0 362.386 -0.396 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CCO1 ZINC000820630147 597715496 /nfs/dbraw/zinc/71/54/96/597715496.db2.gz ARCZSXWRCFFRSG-LLVKDONJSA-N -1 0 353.306 -0.564 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CCO1 ZINC000820630150 597715817 /nfs/dbraw/zinc/71/58/17/597715817.db2.gz ARCZSXWRCFFRSG-NSHDSACASA-N -1 0 353.306 -0.564 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)C(=O)NCCCCC(=O)[O-])c2ccccc2O1 ZINC000820631110 598172005 /nfs/dbraw/zinc/17/20/05/598172005.db2.gz PAGFUNMUCPDXDB-CYBMUJFWSA-N -1 0 363.370 -0.102 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCCC(=O)[O-])c2ccccc2O1 ZINC000820631112 598171984 /nfs/dbraw/zinc/17/19/84/598171984.db2.gz PAGFUNMUCPDXDB-ZDUSSCGKSA-N -1 0 363.370 -0.102 20 0 FBADRM CNC(=O)Cn1cc(NC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)cn1 ZINC000820637137 598148152 /nfs/dbraw/zinc/14/81/52/598148152.db2.gz DCWZYJJUUUGXQG-UHFFFAOYSA-N -1 0 351.363 -0.673 20 0 FBADRM CNC(=O)Cn1nc(NC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)cc1C ZINC000820637364 598148300 /nfs/dbraw/zinc/14/83/00/598148300.db2.gz JRJKBOGEUWKKNQ-UHFFFAOYSA-N -1 0 365.390 -0.364 20 0 FBADRM CNC(=O)Cn1nc(NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1C ZINC000820637389 598094848 /nfs/dbraw/zinc/09/48/48/598094848.db2.gz JYPDOAJPFJMAGZ-LLVKDONJSA-N -1 0 365.390 -0.411 20 0 FBADRM CNC(=O)Cn1nc(NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1C ZINC000820637390 598094519 /nfs/dbraw/zinc/09/45/19/598094519.db2.gz JYPDOAJPFJMAGZ-NSHDSACASA-N -1 0 365.390 -0.411 20 0 FBADRM CNC(=O)Cn1nc(NC(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1C ZINC000820637421 598093673 /nfs/dbraw/zinc/09/36/73/598093673.db2.gz LFAHLKUWGMYPTD-UHFFFAOYSA-N -1 0 373.369 -0.109 20 0 FBADRM CNC(=O)Cn1nc(NC(=O)C(=O)NCc2cccc(C(=O)[O-])c2)cc1C ZINC000820637615 598190531 /nfs/dbraw/zinc/19/05/31/598190531.db2.gz PKDYQMATHXHOAP-UHFFFAOYSA-N -1 0 373.369 -0.109 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000820637708 598173315 /nfs/dbraw/zinc/17/33/15/598173315.db2.gz TUMONHLQJRWGTM-UHFFFAOYSA-N -1 0 362.386 -0.350 20 0 FBADRM CNC(=O)Cn1cc(NC(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)cn1 ZINC000820637792 597343407 /nfs/dbraw/zinc/34/34/07/597343407.db2.gz VGZWSIAZRLQEPZ-UHFFFAOYSA-N -1 0 359.342 -0.418 20 0 FBADRM CNC(=O)Cn1cc(NC(=O)C(=O)NCc2cccc(C(=O)[O-])c2)cn1 ZINC000820637802 598190622 /nfs/dbraw/zinc/19/06/22/598190622.db2.gz WAOCNICWGRPLCF-UHFFFAOYSA-N -1 0 359.342 -0.418 20 0 FBADRM CNC(=O)Cn1nc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)cc1C ZINC000820637845 598093694 /nfs/dbraw/zinc/09/36/94/598093694.db2.gz XGTZQZYVKAIESR-UHFFFAOYSA-N -1 0 351.363 -0.801 20 0 FBADRM CNC(=O)Cn1nc(NC(=O)C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1C ZINC000820637904 598094718 /nfs/dbraw/zinc/09/47/18/598094718.db2.gz ZLOWVWVUGWRDEB-SNVBAGLBSA-N -1 0 353.379 -0.508 20 0 FBADRM CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cn1 ZINC000820637907 597343235 /nfs/dbraw/zinc/34/32/35/597343235.db2.gz ZPTHQIPVROMDGB-JTQLQIEISA-N -1 0 351.363 -0.719 20 0 FBADRM CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)cn1 ZINC000820637908 597343201 /nfs/dbraw/zinc/34/32/01/597343201.db2.gz ZPTHQIPVROMDGB-SNVBAGLBSA-N -1 0 351.363 -0.719 20 0 FBADRM CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000820640573 598174358 /nfs/dbraw/zinc/17/43/58/598174358.db2.gz FFEAMTIQHYMQSY-UHFFFAOYSA-N -1 0 369.399 -0.137 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000820640625 598021960 /nfs/dbraw/zinc/02/19/60/598021960.db2.gz HTDUHQMOJBJFCB-SECBINFHSA-N -1 0 373.362 -0.388 20 0 FBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000820640628 598021915 /nfs/dbraw/zinc/02/19/15/598021915.db2.gz HTDUHQMOJBJFCB-VIFPVBQESA-N -1 0 373.362 -0.388 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)OCc2cn(CC(=O)[O-])nn2)c(C)o1 ZINC000820640631 597356668 /nfs/dbraw/zinc/35/66/68/597356668.db2.gz HVLOICJNDIFWFK-UHFFFAOYSA-N -1 0 358.332 -0.471 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000820641084 598175758 /nfs/dbraw/zinc/17/57/58/598175758.db2.gz KYGAIXRZCFIJOY-SECBINFHSA-N -1 0 355.372 -0.527 20 0 FBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000820641086 598175670 /nfs/dbraw/zinc/17/56/70/598175670.db2.gz KYGAIXRZCFIJOY-VIFPVBQESA-N -1 0 355.372 -0.527 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000820641091 597369961 /nfs/dbraw/zinc/36/99/61/597369961.db2.gz LBCVRCVUZWASPC-GFCCVEGCSA-N -1 0 369.399 -0.598 20 0 FBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000820641093 597370433 /nfs/dbraw/zinc/37/04/33/597370433.db2.gz LBCVRCVUZWASPC-LBPRGKRZSA-N -1 0 369.399 -0.598 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000820641777 597370420 /nfs/dbraw/zinc/37/04/20/597370420.db2.gz YWCVDPAHHRWGIM-LLVKDONJSA-N -1 0 369.399 -0.598 20 0 FBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000820641780 597369889 /nfs/dbraw/zinc/36/98/89/597369889.db2.gz YWCVDPAHHRWGIM-NSHDSACASA-N -1 0 369.399 -0.598 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1 ZINC000820641789 597491101 /nfs/dbraw/zinc/49/11/01/597491101.db2.gz ZSSGNXQTUXXCJL-LLVKDONJSA-N -1 0 369.399 -0.218 20 0 FBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1 ZINC000820641794 597491027 /nfs/dbraw/zinc/49/10/27/597491027.db2.gz ZSSGNXQTUXXCJL-NSHDSACASA-N -1 0 369.399 -0.218 20 0 FBADRM CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCCCC(=O)[O-])cc1 ZINC000820645231 597820140 /nfs/dbraw/zinc/82/01/40/597820140.db2.gz BZVOXOSWTMCMGK-UHFFFAOYSA-N -1 0 357.388 -0.096 20 0 FBADRM CNS(=O)(=O)c1ccc(C)c(C(=O)OCc2cn(CC(=O)[O-])nn2)c1 ZINC000820645341 597355906 /nfs/dbraw/zinc/35/59/06/597355906.db2.gz GGSBEIQIIWPQPA-UHFFFAOYSA-N -1 0 368.371 -0.064 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)OCc2cn(CC(=O)[O-])nn2)cc1 ZINC000820645500 597357611 /nfs/dbraw/zinc/35/76/11/597357611.db2.gz JNUYQPKDMCKHBC-UHFFFAOYSA-N -1 0 354.344 -0.372 20 0 FBADRM CNS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000820645673 597820113 /nfs/dbraw/zinc/82/01/13/597820113.db2.gz OYSINWIWQUMFAO-LLVKDONJSA-N -1 0 357.388 -0.241 20 0 FBADRM CNS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000820645674 597820379 /nfs/dbraw/zinc/82/03/79/597820379.db2.gz OYSINWIWQUMFAO-NSHDSACASA-N -1 0 357.388 -0.241 20 0 FBADRM CNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NCC(=O)[O-])c1 ZINC000820645904 597827572 /nfs/dbraw/zinc/82/75/72/597827572.db2.gz RJUUTJVSKFJMSZ-UHFFFAOYSA-N -1 0 364.763 -0.394 20 0 FBADRM CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000820646025 597818891 /nfs/dbraw/zinc/81/88/91/597818891.db2.gz UAVWLPPJWMLYON-UHFFFAOYSA-N -1 0 369.399 -0.144 20 0 FBADRM CNS(=O)(=O)c1csc(C(=O)OCc2cn(CC(=O)[O-])nn2)c1 ZINC000820646049 661076979 /nfs/dbraw/zinc/07/69/79/661076979.db2.gz UQPGRZBVPJOGRB-UHFFFAOYSA-N -1 0 360.373 -0.311 20 0 FBADRM CNS(=O)(=O)c1cccc(C(=O)OCc2cn(CC(=O)[O-])nn2)c1 ZINC000820646171 597356626 /nfs/dbraw/zinc/35/66/26/597356626.db2.gz YIKBNGQUZLCTHA-UHFFFAOYSA-N -1 0 354.344 -0.372 20 0 FBADRM CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000820646267 597818885 /nfs/dbraw/zinc/81/88/85/597818885.db2.gz ZXVCMECUHGQJEO-SECBINFHSA-N -1 0 355.372 -0.534 20 0 FBADRM CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000820646268 597819073 /nfs/dbraw/zinc/81/90/73/597819073.db2.gz ZXVCMECUHGQJEO-VIFPVBQESA-N -1 0 355.372 -0.534 20 0 FBADRM COC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000820653252 605945409 /nfs/dbraw/zinc/94/54/09/605945409.db2.gz CIJICHUIQZVGQW-UHFFFAOYSA-N -1 0 350.327 -0.150 20 0 FBADRM COC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC000820653324 604735542 /nfs/dbraw/zinc/73/55/42/604735542.db2.gz DTOASWPTURCOOI-UHFFFAOYSA-N -1 0 368.317 -0.011 20 0 FBADRM COC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000820653347 604735658 /nfs/dbraw/zinc/73/56/58/604735658.db2.gz FKXRMZXUKWFJIL-UHFFFAOYSA-N -1 0 364.354 -0.221 20 0 FBADRM COC(=O)C1(O)CCN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000820653532 604735866 /nfs/dbraw/zinc/73/58/66/604735866.db2.gz LOVDVDSAFAKQPM-UHFFFAOYSA-N -1 0 364.354 -0.221 20 0 FBADRM C[C@H]1C[C@@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C(=O)N1c1ccccc1 ZINC000820659453 607219273 /nfs/dbraw/zinc/21/92/73/607219273.db2.gz XLKVDDZICIOGBD-CMPLNLGQSA-N -1 0 367.373 -0.232 20 0 FBADRM C[C@H]1C[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C(=O)N1c1ccccc1 ZINC000820659454 607219460 /nfs/dbraw/zinc/21/94/60/607219460.db2.gz XLKVDDZICIOGBD-JQWIXIFHSA-N -1 0 367.373 -0.232 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C(=O)N1c1ccccc1 ZINC000820659455 607219258 /nfs/dbraw/zinc/21/92/58/607219258.db2.gz XLKVDDZICIOGBD-PWSUYJOCSA-N -1 0 367.373 -0.232 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C(=O)N1c1ccccc1 ZINC000820659456 607219864 /nfs/dbraw/zinc/21/98/64/607219864.db2.gz XLKVDDZICIOGBD-ZYHUDNBSSA-N -1 0 367.373 -0.232 20 0 FBADRM COC(=O)c1c(F)cccc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000820673244 597705048 /nfs/dbraw/zinc/70/50/48/597705048.db2.gz TZPOZKXKJBVCDH-JTQLQIEISA-N -1 0 354.290 -0.137 20 0 FBADRM COC(=O)c1c(F)cccc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000820673245 597704974 /nfs/dbraw/zinc/70/49/74/597704974.db2.gz TZPOZKXKJBVCDH-SNVBAGLBSA-N -1 0 354.290 -0.137 20 0 FBADRM COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NCC(=O)[O-] ZINC000820677367 597702426 /nfs/dbraw/zinc/70/24/26/597702426.db2.gz IHLLWIFIGFKPRQ-UHFFFAOYSA-N -1 0 365.342 -0.551 20 0 FBADRM COC(=O)c1cc(NC(=O)C(=O)NCC(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000820677727 598169687 /nfs/dbraw/zinc/16/96/87/598169687.db2.gz OICWHDJUHMZEMC-UHFFFAOYSA-N -1 0 358.328 -0.984 20 0 FBADRM COC(=O)c1cc(NC(=O)C(=O)NCCC(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000820677924 605027793 /nfs/dbraw/zinc/02/77/93/605027793.db2.gz YASOJOONLLVPFV-UHFFFAOYSA-N -1 0 372.355 -0.594 20 0 FBADRM COC(=O)c1ccc(N2CCN(C(=O)CSCC(=O)[O-])CC2)nn1 ZINC000820684664 598053836 /nfs/dbraw/zinc/05/38/36/598053836.db2.gz AJXXTMGMHYEXFE-UHFFFAOYSA-N -1 0 354.388 -0.270 20 0 FBADRM CO[C@H](C)c1noc(CN2CCCN(CC(=O)NCC(=O)[O-])CC2)n1 ZINC000820696400 601447731 /nfs/dbraw/zinc/44/77/31/601447731.db2.gz FGKABISGXCIGTN-LLVKDONJSA-N -1 0 355.395 -0.515 20 0 FBADRM CO[C@@H](C)c1noc(CN2CCCN(CC(=O)NCC(=O)[O-])CC2)n1 ZINC000820696406 601447522 /nfs/dbraw/zinc/44/75/22/601447522.db2.gz FGKABISGXCIGTN-NSHDSACASA-N -1 0 355.395 -0.515 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NS(=O)(=O)c2cnnn2C)c1 ZINC000820726427 661077484 /nfs/dbraw/zinc/07/74/84/661077484.db2.gz QJJAUWNOFREFDY-JOCHJYFZSA-N -1 0 358.401 -0.564 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NS(=O)(=O)c2cnnn2C)c1 ZINC000820726428 661077615 /nfs/dbraw/zinc/07/76/15/661077615.db2.gz QJJAUWNOFREFDY-QFIPXVFZSA-N -1 0 358.401 -0.564 20 0 FBADRM C[C@@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C[C@H]1n1ccnc1 ZINC000820726826 607046671 /nfs/dbraw/zinc/04/66/71/607046671.db2.gz BXOHWXUYYPMNPD-GHMZBOCLSA-N -1 0 371.405 -0.452 20 0 FBADRM C[C@@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C[C@@H]1n1ccnc1 ZINC000820726827 607046658 /nfs/dbraw/zinc/04/66/58/607046658.db2.gz BXOHWXUYYPMNPD-MNOVXSKESA-N -1 0 371.405 -0.452 20 0 FBADRM C[C@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C[C@@H]1n1ccnc1 ZINC000820726830 607046926 /nfs/dbraw/zinc/04/69/26/607046926.db2.gz BXOHWXUYYPMNPD-QWRGUYRKSA-N -1 0 371.405 -0.452 20 0 FBADRM C[C@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C[C@H]1n1ccnc1 ZINC000820726832 607047050 /nfs/dbraw/zinc/04/70/50/607047050.db2.gz BXOHWXUYYPMNPD-WDEREUQCSA-N -1 0 371.405 -0.452 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)CC1 ZINC000820730446 600748536 /nfs/dbraw/zinc/74/85/36/600748536.db2.gz SRAHWXBAAAQEKM-UHFFFAOYSA-N -1 0 370.450 -0.280 20 0 FBADRM COCCn1nc(C)c(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1C ZINC000820738455 597389165 /nfs/dbraw/zinc/38/91/65/597389165.db2.gz DJJCCIADSITJSZ-LLVKDONJSA-N -1 0 354.363 -0.603 20 0 FBADRM COCCn1nc(C)c(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1C ZINC000820738460 597389040 /nfs/dbraw/zinc/38/90/40/597389040.db2.gz DJJCCIADSITJSZ-NSHDSACASA-N -1 0 354.363 -0.603 20 0 FBADRM COCCn1c(N)c(C(=O)CN2CCCC[C@@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC000820738777 601577802 /nfs/dbraw/zinc/57/78/02/601577802.db2.gz UMTXVJQHVPAQGP-SECBINFHSA-N -1 0 354.363 -0.701 20 0 FBADRM COCCn1c(N)c(C(=O)CN2CCCC[C@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC000820738778 597433971 /nfs/dbraw/zinc/43/39/71/597433971.db2.gz UMTXVJQHVPAQGP-VIFPVBQESA-N -1 0 354.363 -0.701 20 0 FBADRM CON(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCC(=O)[O-])c1 ZINC000820749256 597830006 /nfs/dbraw/zinc/83/00/06/597830006.db2.gz MVNWHQKKOOUCIN-UHFFFAOYSA-N -1 0 360.344 -0.774 20 0 FBADRM CON(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCC(=O)[O-])cc1 ZINC000820749690 597829861 /nfs/dbraw/zinc/82/98/61/597829861.db2.gz VGYGFRMGOUGUIQ-UHFFFAOYSA-N -1 0 360.344 -0.774 20 0 FBADRM COc1cc(-n2cnnn2)c(Cl)cc1C(=O)OCC(=O)NCC(=O)[O-] ZINC000820754398 597836091 /nfs/dbraw/zinc/83/60/91/597836091.db2.gz AFNKDTSPADUTDP-UHFFFAOYSA-N -1 0 369.721 -0.318 20 0 FBADRM COc1c(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cccc1C(N)=O ZINC000820755259 605243298 /nfs/dbraw/zinc/24/32/98/605243298.db2.gz YNHGNBDGIOGYJN-JTQLQIEISA-N -1 0 351.315 -0.955 20 0 FBADRM COc1c(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cccc1C(N)=O ZINC000820755264 605243457 /nfs/dbraw/zinc/24/34/57/605243457.db2.gz YNHGNBDGIOGYJN-SNVBAGLBSA-N -1 0 351.315 -0.955 20 0 FBADRM COc1cc(CN2CCO[C@@H](C(=O)[O-])C2)cc(OC)c1OCC(N)=O ZINC000820764066 598125057 /nfs/dbraw/zinc/12/50/57/598125057.db2.gz XABTXDWIWSTUNI-CYBMUJFWSA-N -1 0 354.359 -0.147 20 0 FBADRM COc1cc(CN2CCO[C@H](C(=O)[O-])C2)cc(OC)c1OCC(N)=O ZINC000820764067 598125283 /nfs/dbraw/zinc/12/52/83/598125283.db2.gz XABTXDWIWSTUNI-ZDUSSCGKSA-N -1 0 354.359 -0.147 20 0 FBADRM COc1cc(NC(=O)C(=O)NCC(=O)[O-])ccc1S(=O)(=O)N(C)C ZINC000820770742 597414488 /nfs/dbraw/zinc/41/44/88/597414488.db2.gz DCCCALNTPJUFAX-UHFFFAOYSA-N -1 0 359.360 -0.915 20 0 FBADRM COc1cc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])ccc1S(=O)(=O)N(C)C ZINC000820770847 597414322 /nfs/dbraw/zinc/41/43/22/597414322.db2.gz NWWXLMCGXBZLHE-QMMMGPOBSA-N -1 0 373.387 -0.527 20 0 FBADRM COc1cc(NC(=O)C(=O)NCCC(=O)[O-])ccc1S(=O)(=O)N(C)C ZINC000820770892 597414257 /nfs/dbraw/zinc/41/42/57/597414257.db2.gz SMJZPDSHKRSQAY-UHFFFAOYSA-N -1 0 373.387 -0.525 20 0 FBADRM COc1cc(OC)cc(C(=O)N2CCN(CC(=O)NCC(=O)[O-])CC2)c1 ZINC000820774695 597765019 /nfs/dbraw/zinc/76/50/19/597765019.db2.gz FVSOXMAXLFREDJ-UHFFFAOYSA-N -1 0 365.386 -0.338 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1C[N-]S(=O)(=O)N=S(C)(C)=O ZINC000820782499 661078044 /nfs/dbraw/zinc/07/80/44/661078044.db2.gz MRBLJFJDBOSWLI-UHFFFAOYSA-N -1 0 369.490 -0.001 20 0 FBADRM Cn1cc(N2CC[C@@H]([N-]S(=O)(=O)N=S3(=O)CCCC3)C2=O)cn1 ZINC000820791575 661078579 /nfs/dbraw/zinc/07/85/79/661078579.db2.gz WYVHRMOPGSHEEK-LLVKDONJSA-N -1 0 361.449 -0.378 20 0 FBADRM Cn1cc(N2CC[C@H]([N-]S(=O)(=O)N=S3(=O)CCCC3)C2=O)cn1 ZINC000820791576 661078629 /nfs/dbraw/zinc/07/86/29/661078629.db2.gz WYVHRMOPGSHEEK-NSHDSACASA-N -1 0 361.449 -0.378 20 0 FBADRM Cc1ccn2cnnc2c1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000820799763 661079059 /nfs/dbraw/zinc/07/90/59/661079059.db2.gz FZUDQRYVEUVMLH-UHFFFAOYSA-N -1 0 350.360 -0.764 20 0 FBADRM Cc1ccn2ncnc2c1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000820800151 661078799 /nfs/dbraw/zinc/07/87/99/661078799.db2.gz ZNDNDZSRCYOPDM-UHFFFAOYSA-N -1 0 350.360 -0.764 20 0 FBADRM CCc1noc([N-]S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)n1 ZINC000820800696 661078925 /nfs/dbraw/zinc/07/89/25/661078925.db2.gz BQALPILOSOIBQP-UHFFFAOYSA-N -1 0 352.332 -0.220 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2n[nH]nc2C(=O)N2CCCC2)c[nH]1 ZINC000820801576 661078963 /nfs/dbraw/zinc/07/89/63/661078963.db2.gz TZVVUOFCOGGZKX-UHFFFAOYSA-N -1 0 368.375 -0.044 20 0 FBADRM CS(C)(=O)=NS(=O)(=O)[N-]CC(=O)Nc1ccc(-n2cncn2)cc1 ZINC000820801850 661079077 /nfs/dbraw/zinc/07/90/77/661079077.db2.gz JSPYGWJGJZZYCG-UHFFFAOYSA-N -1 0 372.432 -0.232 20 0 FBADRM C[C@@H]1CN=C(N2CCN(C(=O)Cn3cnc(-c4nnn[n-]4)n3)CC2)S1 ZINC000820804414 607219326 /nfs/dbraw/zinc/21/93/26/607219326.db2.gz RWPYVICQDGMDET-SECBINFHSA-N -1 0 362.423 -0.906 20 0 FBADRM C[C@H]1CN=C(N2CCN(C(=O)Cn3cnc(-c4nnn[n-]4)n3)CC2)S1 ZINC000820804415 607219279 /nfs/dbraw/zinc/21/92/79/607219279.db2.gz RWPYVICQDGMDET-VIFPVBQESA-N -1 0 362.423 -0.906 20 0 FBADRM COc1cc2c(cc1OC)S(=O)(=O)N(CC(=O)NCC(=O)[O-])C2=O ZINC000820805161 597754924 /nfs/dbraw/zinc/75/49/24/597754924.db2.gz LDTYPLWHFANJJR-UHFFFAOYSA-N -1 0 358.328 -0.951 20 0 FBADRM COc1ccc(-c2nnc(SCC(=O)NCC(=O)[O-])n2N)cc1OC ZINC000820805279 597749497 /nfs/dbraw/zinc/74/94/97/597749497.db2.gz RJUDGSWDWIWXGL-UHFFFAOYSA-N -1 0 367.387 -0.031 20 0 FBADRM COc1ccc(-c2nnc(SCC(=O)NCC(=O)[O-])n2N)c(OC)c1 ZINC000820805287 597750905 /nfs/dbraw/zinc/75/09/05/597750905.db2.gz RTPUVDKAMZZQBQ-UHFFFAOYSA-N -1 0 367.387 -0.031 20 0 FBADRM COc1ccc(C(=O)N2CCN(CC(=O)NCC(=O)[O-])CC2)c(OC)c1 ZINC000820814588 597771228 /nfs/dbraw/zinc/77/12/28/597771228.db2.gz DHJOOFJBTGNDLO-UHFFFAOYSA-N -1 0 365.386 -0.338 20 0 FBADRM COc1ccc(C(=O)N2CCN(CC(=O)NCC(=O)[O-])CC2)cc1OC ZINC000820814982 597767246 /nfs/dbraw/zinc/76/72/46/597767246.db2.gz PADPKPROJJJXLY-UHFFFAOYSA-N -1 0 365.386 -0.338 20 0 FBADRM COc1ccc(C(=O)N2CCOCC2)cc1NCC(=O)NCC(=O)[O-] ZINC000820815146 661078951 /nfs/dbraw/zinc/07/89/51/661078951.db2.gz WEXZPBLJCPRIPA-UHFFFAOYSA-N -1 0 351.359 -0.220 20 0 FBADRM C[C@H]1Oc2ccc(NC(=O)Cn3cnc(-c4nnn[n-]4)n3)cc2NC1=O ZINC000820818691 607205899 /nfs/dbraw/zinc/20/58/99/607205899.db2.gz AOPFCZLHGOILMJ-SSDOTTSWSA-N -1 0 355.318 -0.184 20 0 FBADRM C[C@@H]1Oc2ccc(NC(=O)Cn3cnc(-c4nnn[n-]4)n3)cc2NC1=O ZINC000820818692 607205822 /nfs/dbraw/zinc/20/58/22/607205822.db2.gz AOPFCZLHGOILMJ-ZETCQYMHSA-N -1 0 355.318 -0.184 20 0 FBADRM COc1ccc(C(=O)OCc2cn(CC(=O)[O-])nn2)cc1-n1cnnn1 ZINC000820819597 597712034 /nfs/dbraw/zinc/71/20/34/597712034.db2.gz AZMBIXXSAKZESK-UHFFFAOYSA-N -1 0 359.302 -0.296 20 0 FBADRM COc1ccc(C(=O)OCC(=O)NCC(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000820819599 597827566 /nfs/dbraw/zinc/82/75/66/597827566.db2.gz BEORFAVJIUBLGY-UHFFFAOYSA-N -1 0 374.371 -0.697 20 0 FBADRM COc1ccc(C(=O)OCC(=O)NCC(=O)[O-])cc1N1CCNC1=O ZINC000820820372 601340373 /nfs/dbraw/zinc/34/03/73/601340373.db2.gz QMMWFWAQANDHGF-UHFFFAOYSA-N -1 0 351.315 -0.418 20 0 FBADRM COc1ccc(CCC(=O)N2CCN(CC(=O)NCC(=O)[O-])CC2)cc1 ZINC000820832094 597772400 /nfs/dbraw/zinc/77/24/00/597772400.db2.gz CEEAULJVAQZWEH-UHFFFAOYSA-N -1 0 363.414 -0.027 20 0 FBADRM COc1ccc(CCN2C(=O)C(=O)N(CC(=O)NCC(=O)[O-])C2=O)cc1 ZINC000820832454 597761795 /nfs/dbraw/zinc/76/17/95/597761795.db2.gz POYVYMWZHZURBV-UHFFFAOYSA-N -1 0 363.326 -0.771 20 0 FBADRM COc1ccc(CN(CC(=O)NCC(=O)[O-])[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000820832537 597766073 /nfs/dbraw/zinc/76/60/73/597766073.db2.gz SHYICIORGPITIN-CYBMUJFWSA-N -1 0 370.427 -0.115 20 0 FBADRM COc1ccc(CN(CC(=O)NCC(=O)[O-])[C@H]2CCS(=O)(=O)C2)cc1 ZINC000820832541 597766331 /nfs/dbraw/zinc/76/63/31/597766331.db2.gz SHYICIORGPITIN-ZDUSSCGKSA-N -1 0 370.427 -0.115 20 0 FBADRM COc1ccc(Cc2nnc(SCC(=O)NCC(=O)[O-])n2N)cc1 ZINC000820837141 597747046 /nfs/dbraw/zinc/74/70/46/597747046.db2.gz QHJFDMRTJVESPS-UHFFFAOYSA-N -1 0 351.388 -0.116 20 0 FBADRM COc1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1NS(C)(=O)=O ZINC000820841146 598170767 /nfs/dbraw/zinc/17/07/67/598170767.db2.gz JLWIFCZZXLFRLB-ZETCQYMHSA-N -1 0 359.360 -0.406 20 0 FBADRM COc1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1NS(C)(=O)=O ZINC000820841299 661079021 /nfs/dbraw/zinc/07/90/21/661079021.db2.gz NLPDIWXVSDNBLU-UHFFFAOYSA-N -1 0 359.360 -0.404 20 0 FBADRM COc1ccc(N2C[C@@H](C(=O)OCC(=O)NCC(=O)[O-])CC2=O)cc1 ZINC000820841304 597831558 /nfs/dbraw/zinc/83/15/58/597831558.db2.gz NYYVEYXCRVSYSF-JTQLQIEISA-N -1 0 350.327 -0.208 20 0 FBADRM COc1ccc(N2C[C@H](C(=O)OCC(=O)NCC(=O)[O-])CC2=O)cc1 ZINC000820841305 597831853 /nfs/dbraw/zinc/83/18/53/597831853.db2.gz NYYVEYXCRVSYSF-SNVBAGLBSA-N -1 0 350.327 -0.208 20 0 FBADRM COc1ccc(S(=O)(=O)NC2CC2)cc1NCC(=O)NCC(=O)[O-] ZINC000820849948 597745220 /nfs/dbraw/zinc/74/52/20/597745220.db2.gz ZLYFMLXUZQOTHQ-UHFFFAOYSA-N -1 0 357.388 -0.251 20 0 FBADRM COc1cccc(C(=O)N2CCN(CC(=O)NCC(=O)[O-])CC2)c1OC ZINC000820858824 597773028 /nfs/dbraw/zinc/77/30/28/597773028.db2.gz URURCGMACVFGHC-UHFFFAOYSA-N -1 0 365.386 -0.338 20 0 FBADRM COc1ccccc1N1C[C@@H](C(=O)OCC(=O)NCC(=O)[O-])CC1=O ZINC000820876779 597824549 /nfs/dbraw/zinc/82/45/49/597824549.db2.gz XMBJAPSVOSSIKT-JTQLQIEISA-N -1 0 350.327 -0.208 20 0 FBADRM COc1ccccc1N1C[C@H](C(=O)OCC(=O)NCC(=O)[O-])CC1=O ZINC000820876780 597824518 /nfs/dbraw/zinc/82/45/18/597824518.db2.gz XMBJAPSVOSSIKT-SNVBAGLBSA-N -1 0 350.327 -0.208 20 0 FBADRM CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820876998 607212051 /nfs/dbraw/zinc/21/20/51/607212051.db2.gz XXXWYQVGWFJZJW-BDAKNGLRSA-N -1 0 365.423 -0.726 20 0 FBADRM CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820876999 607212202 /nfs/dbraw/zinc/21/22/02/607212202.db2.gz XXXWYQVGWFJZJW-DTWKUNHWSA-N -1 0 365.423 -0.726 20 0 FBADRM CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820877000 607211965 /nfs/dbraw/zinc/21/19/65/607211965.db2.gz XXXWYQVGWFJZJW-IUCAKERBSA-N -1 0 365.423 -0.726 20 0 FBADRM CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820877001 607212072 /nfs/dbraw/zinc/21/20/72/607212072.db2.gz XXXWYQVGWFJZJW-RKDXNWHRSA-N -1 0 365.423 -0.726 20 0 FBADRM COc1ccccc1NC(=O)CN1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000820881695 605005883 /nfs/dbraw/zinc/00/58/83/605005883.db2.gz NLBZPLWOPAQEIS-UHFFFAOYSA-N -1 0 364.402 -0.548 20 0 FBADRM COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000820885720 598174235 /nfs/dbraw/zinc/17/42/35/598174235.db2.gz IDIHRJVXMSDYEC-UHFFFAOYSA-N -1 0 351.363 -0.187 20 0 FBADRM CS(=O)(=O)CCn1cccc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1=O ZINC000820885772 597457194 /nfs/dbraw/zinc/45/71/94/597457194.db2.gz KOCKYYBQYYLJKO-LLVKDONJSA-N -1 0 373.387 -0.790 20 0 FBADRM CS(=O)(=O)CCn1cccc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)c1=O ZINC000820885773 597457494 /nfs/dbraw/zinc/45/74/94/597457494.db2.gz KOCKYYBQYYLJKO-NSHDSACASA-N -1 0 373.387 -0.790 20 0 FBADRM CS(=O)(=O)CCn1cccc(NC(=O)N2CCC[C@@H]2C(=O)[O-])c1=O ZINC000820886036 598207532 /nfs/dbraw/zinc/20/75/32/598207532.db2.gz PENONXJHQOJECZ-LLVKDONJSA-N -1 0 357.388 -0.026 20 0 FBADRM CS(=O)(=O)CCn1cccc(NC(=O)N2CCC[C@H]2C(=O)[O-])c1=O ZINC000820886037 598207570 /nfs/dbraw/zinc/20/75/70/598207570.db2.gz PENONXJHQOJECZ-NSHDSACASA-N -1 0 357.388 -0.026 20 0 FBADRM CS(=O)(=O)CCn1cccc(NC(=O)N2CC[C@H](C(=O)[O-])C2)c1=O ZINC000820886118 597457400 /nfs/dbraw/zinc/45/74/00/597457400.db2.gz WCTDDIXFYKBOPW-JTQLQIEISA-N -1 0 357.388 -0.169 20 0 FBADRM CS(=O)(=O)CCn1cccc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)c1=O ZINC000820886119 597457405 /nfs/dbraw/zinc/45/74/05/597457405.db2.gz WCTDDIXFYKBOPW-SNVBAGLBSA-N -1 0 357.388 -0.169 20 0 FBADRM COc1ncc(NC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)cc1C(N)=O ZINC000820886142 601855766 /nfs/dbraw/zinc/85/57/66/601855766.db2.gz XKGCLUUOADILFC-UHFFFAOYSA-N -1 0 364.358 -0.113 20 0 FBADRM CCC(CC)(CCO)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820887700 599688362 /nfs/dbraw/zinc/68/83/62/599688362.db2.gz MRQFCIOPMOIXOQ-UHFFFAOYSA-N -1 0 351.411 -0.135 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000820890422 598174524 /nfs/dbraw/zinc/17/45/24/598174524.db2.gz BLXWJMNSBQMOPH-SECBINFHSA-N -1 0 355.372 -0.527 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000820890423 598174492 /nfs/dbraw/zinc/17/44/92/598174492.db2.gz BLXWJMNSBQMOPH-VIFPVBQESA-N -1 0 355.372 -0.527 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000820890440 598140548 /nfs/dbraw/zinc/14/05/48/598140548.db2.gz BWNRUCVQXXBNSV-UHFFFAOYSA-N -1 0 355.416 -0.308 20 0 FBADRM CS(=O)(=O)N1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000820890637 598173094 /nfs/dbraw/zinc/17/30/94/598173094.db2.gz JYKFCCXZNBEUQR-UHFFFAOYSA-N -1 0 369.399 -0.137 20 0 FBADRM CS(=O)(=O)NCc1ccc(C(=O)OCc2cn(CC(=O)[O-])nn2)o1 ZINC000820890651 597356554 /nfs/dbraw/zinc/35/65/54/597356554.db2.gz KRNREGLRBCERAL-UHFFFAOYSA-N -1 0 358.332 -0.638 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000820890688 598175706 /nfs/dbraw/zinc/17/57/06/598175706.db2.gz MVUCHBPYAGLXGN-JTQLQIEISA-N -1 0 369.399 -0.279 20 0 FBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000820890690 598175727 /nfs/dbraw/zinc/17/57/27/598175727.db2.gz MVUCHBPYAGLXGN-SNVBAGLBSA-N -1 0 369.399 -0.279 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820890707 598175746 /nfs/dbraw/zinc/17/57/46/598175746.db2.gz OGHJZMSFOYKDGA-SNVBAGLBSA-N -1 0 369.399 -0.137 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)NCc2cccc(C(=O)[O-])c2)CC1 ZINC000820890831 602349027 /nfs/dbraw/zinc/34/90/27/602349027.db2.gz QCLPHYAWJKXDBO-UHFFFAOYSA-N -1 0 355.416 -0.422 20 0 FBADRM CS(=O)(=O)N1CCCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000820890879 598173557 /nfs/dbraw/zinc/17/35/57/598173557.db2.gz RAEGAGHBFXPNBA-UHFFFAOYSA-N -1 0 369.399 -0.183 20 0 FBADRM CS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000820890899 598173485 /nfs/dbraw/zinc/17/34/85/598173485.db2.gz RLNHCYZQRXFBTD-UHFFFAOYSA-N -1 0 369.399 -0.137 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000820890915 598155153 /nfs/dbraw/zinc/15/51/53/598155153.db2.gz SRSIWSJIASTSGG-UHFFFAOYSA-N -1 0 355.416 -0.308 20 0 FBADRM CS(=O)(=O)N1CCc2cc(C(=O)OCC(=O)NCC(=O)[O-])ccc21 ZINC000820891050 597829929 /nfs/dbraw/zinc/82/99/29/597829929.db2.gz WSZCVFSFJNGJPP-UHFFFAOYSA-N -1 0 356.356 -0.634 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)NCCCCC(=O)[O-])CC1 ZINC000820891057 598166628 /nfs/dbraw/zinc/16/66/28/598166628.db2.gz XDXYOOJBAVBRRB-UHFFFAOYSA-N -1 0 350.441 -0.882 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000820891092 598173964 /nfs/dbraw/zinc/17/39/64/598173964.db2.gz ZVDTZNSJEZFRBL-JTQLQIEISA-N -1 0 369.399 -0.137 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000820891093 598173971 /nfs/dbraw/zinc/17/39/71/598173971.db2.gz ZVDTZNSJEZFRBL-SNVBAGLBSA-N -1 0 369.399 -0.137 20 0 FBADRM CS(=O)(=O)N1CCCc2cc(C(=O)OCC(=O)NCC(=O)[O-])ccc21 ZINC000820891095 597829885 /nfs/dbraw/zinc/82/98/85/597829885.db2.gz ZVOCYUMBOWYRJB-UHFFFAOYSA-N -1 0 370.383 -0.244 20 0 FBADRM CCC(CC)C(=O)N1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000820892844 607207571 /nfs/dbraw/zinc/20/75/71/607207571.db2.gz FXHCTCDNYHBVAI-UHFFFAOYSA-N -1 0 361.410 -0.435 20 0 FBADRM CS(=O)(=O)Nc1ccc(N2CCN(CC(=O)NCC(=O)[O-])CC2)cc1 ZINC000820894141 604491462 /nfs/dbraw/zinc/49/14/62/604491462.db2.gz CSISWMKULQQMIA-UHFFFAOYSA-N -1 0 370.431 -0.619 20 0 FBADRM CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000820894220 597369378 /nfs/dbraw/zinc/36/93/78/597369378.db2.gz HCVSQFYRMKCMJY-GFCCVEGCSA-N -1 0 360.363 -0.047 20 0 FBADRM CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCO[C@H](C(=O)[O-])C2)c1 ZINC000820894221 597369334 /nfs/dbraw/zinc/36/93/34/597369334.db2.gz HCVSQFYRMKCMJY-LBPRGKRZSA-N -1 0 360.363 -0.047 20 0 FBADRM CS(=O)(=O)Nc1ccc(/C=C\C(=O)OCC(=O)NCC(=O)[O-])cc1 ZINC000820894254 597822539 /nfs/dbraw/zinc/82/25/39/597822539.db2.gz KWBTYTRQGKLQKY-DAXSKMNVSA-N -1 0 356.356 -0.185 20 0 FBADRM CS(=O)(=O)Nc1ccc(/C=C/C(=O)OCC(=O)NCC(=O)[O-])cc1 ZINC000820894255 597822852 /nfs/dbraw/zinc/82/28/52/597822852.db2.gz KWBTYTRQGKLQKY-QPJJXVBHSA-N -1 0 356.356 -0.185 20 0 FBADRM CS(=O)(=O)c1nc(C(=O)OCC(=O)NCC(=O)[O-])c2ccccn21 ZINC000820899691 597837300 /nfs/dbraw/zinc/83/73/00/597837300.db2.gz BYFUGFSQNDOJNG-UHFFFAOYSA-N -1 0 355.328 -0.905 20 0 FBADRM C[S@@](=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1F ZINC000820899900 661079704 /nfs/dbraw/zinc/07/97/04/661079704.db2.gz JBZHTDDSHRYSEW-CCGUKBGLSA-N -1 0 358.347 -0.186 20 0 FBADRM C[S@](=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1F ZINC000820899901 661079765 /nfs/dbraw/zinc/07/97/65/661079765.db2.gz JBZHTDDSHRYSEW-JUZXBQNTSA-N -1 0 358.347 -0.186 20 0 FBADRM C[S@@](=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1F ZINC000820899902 661079711 /nfs/dbraw/zinc/07/97/11/661079711.db2.gz JBZHTDDSHRYSEW-VKTRGTBVSA-N -1 0 358.347 -0.186 20 0 FBADRM C[S@](=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1F ZINC000820899903 661079646 /nfs/dbraw/zinc/07/96/46/661079646.db2.gz JBZHTDDSHRYSEW-ZZDSUILFSA-N -1 0 358.347 -0.186 20 0 FBADRM CSc1nc2nc(C)c(CC(=O)OCC(=O)NCC(=O)[O-])c(C)n2n1 ZINC000820912665 597827040 /nfs/dbraw/zinc/82/70/40/597827040.db2.gz INEJQUJZAHUDFM-UHFFFAOYSA-N -1 0 367.387 -0.250 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)NCC(=O)[O-] ZINC000820927736 597829092 /nfs/dbraw/zinc/82/90/92/597829092.db2.gz BXQDONOUCAVLBX-QMMMGPOBSA-N -1 0 362.335 -0.764 20 0 FBADRM Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)NCCC(=O)[O-] ZINC000820959318 604511043 /nfs/dbraw/zinc/51/10/43/604511043.db2.gz MSAQPOLCSSKRLR-UHFFFAOYSA-N -1 0 363.370 -0.003 20 0 FBADRM Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H](C)C(=O)[O-] ZINC000820959414 598094606 /nfs/dbraw/zinc/09/46/06/598094606.db2.gz PUVVGXBHGUIAEM-NSHDSACASA-N -1 0 363.370 -0.005 20 0 FBADRM Cc1cc(C(=O)OCC(=O)NCC(=O)[O-])cc(S(=O)(=O)N(C)C)c1C ZINC000820963797 597830063 /nfs/dbraw/zinc/83/00/63/597830063.db2.gz UNPBXJXICGUXSM-UHFFFAOYSA-N -1 0 372.399 -0.089 20 0 FBADRM Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)OCC(=O)NCC(=O)[O-] ZINC000820980854 600690490 /nfs/dbraw/zinc/69/04/90/600690490.db2.gz YHDYKWRXNKGGHH-UHFFFAOYSA-N -1 0 370.383 -0.107 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)ccc1C(=O)[O-] ZINC000820986115 597491080 /nfs/dbraw/zinc/49/10/80/597491080.db2.gz KLFUYHGLNZPEBV-KRWDZBQOSA-N -1 0 374.353 -0.216 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)ccc1C(=O)[O-] ZINC000820986120 597491037 /nfs/dbraw/zinc/49/10/37/597491037.db2.gz KLFUYHGLNZPEBV-QGZVFWFLSA-N -1 0 374.353 -0.216 20 0 FBADRM CC[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@@H]1N1CCOCC1 ZINC000820987663 607220070 /nfs/dbraw/zinc/22/00/70/607220070.db2.gz APNOKIFOWHWHKR-NEPJUHHUSA-N -1 0 361.410 -0.973 20 0 FBADRM CC[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@H]1N1CCOCC1 ZINC000820987664 607220031 /nfs/dbraw/zinc/22/00/31/607220031.db2.gz APNOKIFOWHWHKR-NWDGAFQWSA-N -1 0 361.410 -0.973 20 0 FBADRM CC[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@@H]1N1CCOCC1 ZINC000820987665 607219885 /nfs/dbraw/zinc/21/98/85/607219885.db2.gz APNOKIFOWHWHKR-RYUDHWBXSA-N -1 0 361.410 -0.973 20 0 FBADRM CC[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@H]1N1CCOCC1 ZINC000820987667 607220015 /nfs/dbraw/zinc/22/00/15/607220015.db2.gz APNOKIFOWHWHKR-VXGBXAGGSA-N -1 0 361.410 -0.973 20 0 FBADRM CC[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@@H](CC)CN1C(C)=O ZINC000820989682 607220888 /nfs/dbraw/zinc/22/08/88/607220888.db2.gz YSGYMSMDNLZNJI-NEPJUHHUSA-N -1 0 361.410 -0.294 20 0 FBADRM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820989683 607220936 /nfs/dbraw/zinc/22/09/36/607220936.db2.gz YSGYMSMDNLZNJI-NWDGAFQWSA-N -1 0 361.410 -0.294 20 0 FBADRM CC[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@@H](CC)CN1C(C)=O ZINC000820989684 607221039 /nfs/dbraw/zinc/22/10/39/607221039.db2.gz YSGYMSMDNLZNJI-RYUDHWBXSA-N -1 0 361.410 -0.294 20 0 FBADRM CC[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@H](CC)CN1C(C)=O ZINC000820989685 607221061 /nfs/dbraw/zinc/22/10/61/607221061.db2.gz YSGYMSMDNLZNJI-VXGBXAGGSA-N -1 0 361.410 -0.294 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)n(C2CCOCC2)n1 ZINC000820991502 597343552 /nfs/dbraw/zinc/34/35/52/597343552.db2.gz IVSUSTOGUFDYPS-GFCCVEGCSA-N -1 0 366.374 -0.206 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)n(C2CCOCC2)n1 ZINC000820991506 597343381 /nfs/dbraw/zinc/34/33/81/597343381.db2.gz IVSUSTOGUFDYPS-LBPRGKRZSA-N -1 0 366.374 -0.206 20 0 FBADRM Cc1cc(NC(=O)C(=O)NC[C@@H](O)CN2CCOCC2)ccc1C(=O)[O-] ZINC000820996519 598147362 /nfs/dbraw/zinc/14/73/62/598147362.db2.gz DVCQNZNKJHRBRN-CYBMUJFWSA-N -1 0 365.386 -0.559 20 0 FBADRM Cc1cc(NC(=O)C(=O)NC[C@H](O)CN2CCOCC2)ccc1C(=O)[O-] ZINC000820996520 598147392 /nfs/dbraw/zinc/14/73/92/598147392.db2.gz DVCQNZNKJHRBRN-ZDUSSCGKSA-N -1 0 365.386 -0.559 20 0 FBADRM Cc1cc(NC(=O)C(=O)NCCNC(=O)c2ccn[nH]2)ccc1C(=O)[O-] ZINC000821000396 597626889 /nfs/dbraw/zinc/62/68/89/597626889.db2.gz FEWDMOAGQYLBSB-UHFFFAOYSA-N -1 0 359.342 -0.099 20 0 FBADRM CCCCC[C@@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C(=O)OC ZINC000821048709 606430155 /nfs/dbraw/zinc/43/01/55/606430155.db2.gz GDZMDQFUSZFTMA-SECBINFHSA-N -1 0 365.394 -0.202 20 0 FBADRM CCCCC[C@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C(=O)OC ZINC000821048710 606429957 /nfs/dbraw/zinc/42/99/57/606429957.db2.gz GDZMDQFUSZFTMA-VIFPVBQESA-N -1 0 365.394 -0.202 20 0 FBADRM CCCCNC(=O)[C@H]1CSCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821065465 607211938 /nfs/dbraw/zinc/21/19/38/607211938.db2.gz JKCZHILUGOVLJP-SECBINFHSA-N -1 0 365.423 -0.724 20 0 FBADRM CCCCNC(=O)[C@@H]1CSCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821065466 607212225 /nfs/dbraw/zinc/21/22/25/607212225.db2.gz JKCZHILUGOVLJP-VIFPVBQESA-N -1 0 365.423 -0.724 20 0 FBADRM CCCCNC(=O)[C@@H]1CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000821066330 607212193 /nfs/dbraw/zinc/21/21/93/607212193.db2.gz SSWXENTXUBTNHG-LLVKDONJSA-N -1 0 361.410 -0.387 20 0 FBADRM CCCCNC(=O)[C@H]1CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000821066334 607211968 /nfs/dbraw/zinc/21/19/68/607211968.db2.gz SSWXENTXUBTNHG-NSHDSACASA-N -1 0 361.410 -0.387 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C ZINC000821073249 661080785 /nfs/dbraw/zinc/08/07/85/661080785.db2.gz IJWQIVXAMDCBHU-BDAKNGLRSA-N -1 0 350.393 -0.091 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnc2)cc1 ZINC000821073743 661080925 /nfs/dbraw/zinc/08/09/25/661080925.db2.gz MMQFACLZIVMMLE-UHFFFAOYSA-N -1 0 352.372 -0.181 20 0 FBADRM Cc1ccc(C)c(S(=O)(=O)NCC(=O)OCC(=O)NCC(=O)[O-])c1 ZINC000821076220 597828779 /nfs/dbraw/zinc/82/87/79/597828779.db2.gz YEZXEZKTVMYXRN-UHFFFAOYSA-N -1 0 358.372 -0.674 20 0 FBADRM CCCCOCCOCCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821077767 599102518 /nfs/dbraw/zinc/10/25/18/599102518.db2.gz SEMNIPUDPAHAAD-UHFFFAOYSA-N -1 0 367.410 -0.491 20 0 FBADRM CCCN(C)C(=O)[C@H]1CSCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821081874 607212045 /nfs/dbraw/zinc/21/20/45/607212045.db2.gz CQJFQZRZEZYTJL-SECBINFHSA-N -1 0 365.423 -0.772 20 0 FBADRM CCCN(C)C(=O)[C@@H]1CSCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821081875 607211991 /nfs/dbraw/zinc/21/19/91/607211991.db2.gz CQJFQZRZEZYTJL-VIFPVBQESA-N -1 0 365.423 -0.772 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC000821087721 607319396 /nfs/dbraw/zinc/31/93/96/607319396.db2.gz FJPDVETUFBJHAY-UHFFFAOYSA-N -1 0 354.392 -0.052 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)COc1ccccc1-c1nn[nH]n1 ZINC000821087744 607319393 /nfs/dbraw/zinc/31/93/93/607319393.db2.gz FRFXTQPFZRDKAN-UHFFFAOYSA-N -1 0 354.392 -0.052 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1S(C)(=O)=O ZINC000821088176 597419796 /nfs/dbraw/zinc/41/97/96/597419796.db2.gz PEGDNGHESFNJTB-LLVKDONJSA-N -1 0 370.383 -0.351 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1S(C)(=O)=O ZINC000821088177 597419953 /nfs/dbraw/zinc/41/99/53/597419953.db2.gz PEGDNGHESFNJTB-NSHDSACASA-N -1 0 370.383 -0.351 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821088831 607319329 /nfs/dbraw/zinc/31/93/29/607319329.db2.gz XVQRODYJDJGUOU-UHFFFAOYSA-N -1 0 354.392 -0.052 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)n2)CC1 ZINC000821089010 661080769 /nfs/dbraw/zinc/08/07/69/661080769.db2.gz AMLNSMKLGHNALZ-UHFFFAOYSA-N -1 0 361.380 -0.451 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)[C@@H](C)C(=O)[O-])[C@H](C)O)cc1 ZINC000821098420 598220598 /nfs/dbraw/zinc/22/05/98/598220598.db2.gz FLIBOBRTHGKFBJ-GVXVVHGQSA-N -1 0 358.416 -0.046 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)[C@@H](C)C(=O)[O-])[C@@H](C)O)cc1 ZINC000821098422 598220584 /nfs/dbraw/zinc/22/05/84/598220584.db2.gz FLIBOBRTHGKFBJ-LOWVWBTDSA-N -1 0 358.416 -0.046 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)[C@H](C)C(=O)[O-])[C@H](C)O)cc1 ZINC000821098423 598220541 /nfs/dbraw/zinc/22/05/41/598220541.db2.gz FLIBOBRTHGKFBJ-MDZLAQPJSA-N -1 0 358.416 -0.046 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)[C@H](C)C(=O)[O-])[C@@H](C)O)cc1 ZINC000821098424 598220532 /nfs/dbraw/zinc/22/05/32/598220532.db2.gz FLIBOBRTHGKFBJ-WZRBSPASSA-N -1 0 358.416 -0.046 20 0 FBADRM Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)OCC(=O)NCC(=O)[O-] ZINC000821098490 597832293 /nfs/dbraw/zinc/83/22/93/597832293.db2.gz JPKGTZPALRXKHE-UHFFFAOYSA-N -1 0 370.383 -0.207 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NCC(=O)[O-])cc1 ZINC000821098684 597822858 /nfs/dbraw/zinc/82/28/58/597822858.db2.gz LVBWKTVZTQBTJV-JTQLQIEISA-N -1 0 358.372 -0.594 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[C@@H](C(=O)[O-])C2)[C@@H](C)O)cc1 ZINC000821098688 598220581 /nfs/dbraw/zinc/22/05/81/598220581.db2.gz LVNCVXZVENQCSX-BZPMIXESSA-N -1 0 370.427 -0.044 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[C@H](C(=O)[O-])C2)[C@@H](C)O)cc1 ZINC000821098690 598220527 /nfs/dbraw/zinc/22/05/27/598220527.db2.gz LVNCVXZVENQCSX-DYEKYZERSA-N -1 0 370.427 -0.044 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[C@H](C(=O)[O-])C2)[C@H](C)O)cc1 ZINC000821098691 598220557 /nfs/dbraw/zinc/22/05/57/598220557.db2.gz LVNCVXZVENQCSX-OBJOEFQTSA-N -1 0 370.427 -0.044 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[C@@H](C(=O)[O-])C2)[C@H](C)O)cc1 ZINC000821098694 598220517 /nfs/dbraw/zinc/22/05/17/598220517.db2.gz LVNCVXZVENQCSX-SCRDCRAPSA-N -1 0 370.427 -0.044 20 0 FBADRM Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCC(=O)[O-])cc1C ZINC000821098772 597821393 /nfs/dbraw/zinc/82/13/93/597821393.db2.gz QENUZUMJTRZGQH-UHFFFAOYSA-N -1 0 358.372 -0.674 20 0 FBADRM Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NCC(=O)[O-])cc1C ZINC000821098785 597832289 /nfs/dbraw/zinc/83/22/89/597832289.db2.gz QYOONHGFGRKAHJ-UHFFFAOYSA-N -1 0 372.399 -0.332 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N(C)CCC(=O)[O-])[C@@H](C)O)cc1 ZINC000821099056 598220590 /nfs/dbraw/zinc/22/05/90/598220590.db2.gz XOIOUZIUMWDRNZ-BXUZGUMPSA-N -1 0 358.416 -0.044 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)CCC(=O)[O-])[C@H](C)O)cc1 ZINC000821099057 598220540 /nfs/dbraw/zinc/22/05/40/598220540.db2.gz XOIOUZIUMWDRNZ-FZMZJTMJSA-N -1 0 358.416 -0.044 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)CCC(=O)[O-])[C@@H](C)O)cc1 ZINC000821099058 598220587 /nfs/dbraw/zinc/22/05/87/598220587.db2.gz XOIOUZIUMWDRNZ-RISCZKNCSA-N -1 0 358.416 -0.044 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N(C)CCC(=O)[O-])[C@H](C)O)cc1 ZINC000821099059 598220542 /nfs/dbraw/zinc/22/05/42/598220542.db2.gz XOIOUZIUMWDRNZ-SMDDNHRTSA-N -1 0 358.416 -0.044 20 0 FBADRM Cc1cccc(C)c1-n1nnnc1C[S@](=O)CC(=O)NCC(=O)[O-] ZINC000821112278 597736694 /nfs/dbraw/zinc/73/66/94/597736694.db2.gz OMKCCFGAKLJMIL-DEOSSOPVSA-N -1 0 351.388 -0.271 20 0 FBADRM Cc1cccc(C)c1-n1nnnc1C[S@@](=O)CC(=O)NCC(=O)[O-] ZINC000821112279 597736828 /nfs/dbraw/zinc/73/68/28/597736828.db2.gz OMKCCFGAKLJMIL-XMMPIXPASA-N -1 0 351.388 -0.271 20 0 FBADRM CCCNC(=O)C1(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCCCC1 ZINC000821113646 607212433 /nfs/dbraw/zinc/21/24/33/607212433.db2.gz AZXXOJHEQWQTSS-UHFFFAOYSA-N -1 0 361.410 -0.197 20 0 FBADRM CCCNC(=O)CN(CCC)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821114424 606164223 /nfs/dbraw/zinc/16/42/23/606164223.db2.gz RKXSUMSATRMWMR-UHFFFAOYSA-N -1 0 364.410 -0.993 20 0 FBADRM CCCNC(=O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821114539 606884844 /nfs/dbraw/zinc/88/48/44/606884844.db2.gz WPISGKQSRDEENJ-UHFFFAOYSA-N -1 0 360.346 -0.051 20 0 FBADRM COC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)N=S(C)(C)=O)cc1 ZINC000821135783 661081043 /nfs/dbraw/zinc/08/10/43/661081043.db2.gz VTXSNHDIRLRNIC-UHFFFAOYSA-N -1 0 363.417 -0.026 20 0 FBADRM CCCc1nnc(Sc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)o1 ZINC000821143752 607030210 /nfs/dbraw/zinc/03/02/10/607030210.db2.gz XDLHFKMOBLVTLP-UHFFFAOYSA-N -1 0 350.364 -0.249 20 0 FBADRM CCN(C(=O)Cn1cccc(-c2nnn[n-]2)c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000821153908 661081722 /nfs/dbraw/zinc/08/17/22/661081722.db2.gz GZFSNZXCMJTTNT-JTQLQIEISA-N -1 0 366.403 -0.936 20 0 FBADRM CCN(C(=O)Cn1cccc(-c2nnn[n-]2)c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000821153909 661081628 /nfs/dbraw/zinc/08/16/28/661081628.db2.gz GZFSNZXCMJTTNT-SNVBAGLBSA-N -1 0 366.403 -0.936 20 0 FBADRM CCN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@H](C)CS(=O)(=O)CC ZINC000821154641 607216448 /nfs/dbraw/zinc/21/64/48/607216448.db2.gz QRYCMGMAFNOEAI-SECBINFHSA-N -1 0 356.412 -0.870 20 0 FBADRM CCN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@@H](C)CS(=O)(=O)CC ZINC000821154642 607216433 /nfs/dbraw/zinc/21/64/33/607216433.db2.gz QRYCMGMAFNOEAI-VIFPVBQESA-N -1 0 356.412 -0.870 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1 ZINC000821165030 599626223 /nfs/dbraw/zinc/62/62/23/599626223.db2.gz NMAKTPOYXGFRDK-SECBINFHSA-N -1 0 354.392 -0.053 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1 ZINC000821165031 599626252 /nfs/dbraw/zinc/62/62/52/599626252.db2.gz NMAKTPOYXGFRDK-VIFPVBQESA-N -1 0 354.392 -0.053 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000821165956 599626191 /nfs/dbraw/zinc/62/61/91/599626191.db2.gz ZURWENRDLRXAEH-SECBINFHSA-N -1 0 354.392 -0.053 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000821165959 599626103 /nfs/dbraw/zinc/62/61/03/599626103.db2.gz ZURWENRDLRXAEH-VIFPVBQESA-N -1 0 354.392 -0.053 20 0 FBADRM CCN(CC)C(=O)[C@H]1CSCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821170927 607212144 /nfs/dbraw/zinc/21/21/44/607212144.db2.gz YGQIYILPXQGGLM-SECBINFHSA-N -1 0 365.423 -0.772 20 0 FBADRM CCN(CC)C(=O)[C@@H]1CSCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821170929 607212217 /nfs/dbraw/zinc/21/22/17/607212217.db2.gz YGQIYILPXQGGLM-VIFPVBQESA-N -1 0 365.423 -0.772 20 0 FBADRM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)OCC(=O)NCC(=O)[O-] ZINC000821181287 601589852 /nfs/dbraw/zinc/58/98/52/601589852.db2.gz DCRSWINDIGFLJH-UHFFFAOYSA-N -1 0 364.358 -0.033 20 0 FBADRM Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)OCC(=O)NCC(=O)[O-] ZINC000821182225 597839037 /nfs/dbraw/zinc/83/90/37/597839037.db2.gz QWVUPNYRANXLPK-UHFFFAOYSA-N -1 0 350.331 -0.272 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cc3nc[nH]c3cc2F)CC1 ZINC000821193261 661081804 /nfs/dbraw/zinc/08/18/04/661081804.db2.gz TWPHTSKMWPNFJQ-UHFFFAOYSA-N -1 0 369.378 -0.159 20 0 FBADRM Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N(C)CCC(=O)[O-] ZINC000821202069 597369594 /nfs/dbraw/zinc/36/95/94/597369594.db2.gz BPANRKOYBATXMK-UHFFFAOYSA-N -1 0 358.362 -0.203 20 0 FBADRM Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000821202463 597368608 /nfs/dbraw/zinc/36/86/08/597368608.db2.gz MMIODBJVQPOYSM-LLVKDONJSA-N -1 0 370.373 -0.203 20 0 FBADRM Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000821202464 597368580 /nfs/dbraw/zinc/36/85/80/597368580.db2.gz MMIODBJVQPOYSM-NSHDSACASA-N -1 0 370.373 -0.203 20 0 FBADRM Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000821202480 597369934 /nfs/dbraw/zinc/36/99/34/597369934.db2.gz NAZKZAFKDXXQTG-GFCCVEGCSA-N -1 0 370.373 -0.060 20 0 FBADRM Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000821202482 597370070 /nfs/dbraw/zinc/37/00/70/597370070.db2.gz NAZKZAFKDXXQTG-LBPRGKRZSA-N -1 0 370.373 -0.060 20 0 FBADRM Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000821202843 597368584 /nfs/dbraw/zinc/36/85/84/597368584.db2.gz RDFSXDIJZURVTI-JTQLQIEISA-N -1 0 358.362 -0.204 20 0 FBADRM Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N(C)[C@H](C)C(=O)[O-] ZINC000821202844 597368518 /nfs/dbraw/zinc/36/85/18/597368518.db2.gz RDFSXDIJZURVTI-SNVBAGLBSA-N -1 0 358.362 -0.204 20 0 FBADRM Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)NCCCC(=O)[O-] ZINC000821203159 597368640 /nfs/dbraw/zinc/36/86/40/597368640.db2.gz XSXKAYLSQURJBP-UHFFFAOYSA-N -1 0 358.362 -0.155 20 0 FBADRM Cc1nn(CC(=O)NCC(=O)[O-])c(C)c1S(=O)(=O)N1CCCCC1 ZINC000821209182 597760728 /nfs/dbraw/zinc/76/07/28/597760728.db2.gz OWJMIDCVTDAAQK-UHFFFAOYSA-N -1 0 358.420 -0.125 20 0 FBADRM Cc1nn(C)c2[nH]c(=O)c(CCC(=O)OCC(=O)NCC(=O)[O-])c(C)c12 ZINC000821209664 597833664 /nfs/dbraw/zinc/83/36/64/597833664.db2.gz ZZCJNYMIPHHLJJ-UHFFFAOYSA-N -1 0 364.358 -0.445 20 0 FBADRM CCN(CCc1ccccn1)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821214653 606240018 /nfs/dbraw/zinc/24/00/18/606240018.db2.gz JXPBAMWZEHGAQU-UHFFFAOYSA-N -1 0 356.390 -0.272 20 0 FBADRM CCN(CCNC(=O)Cn1cnc(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC000821216012 607213392 /nfs/dbraw/zinc/21/33/92/607213392.db2.gz ZCTCFZKLWLZVBQ-UHFFFAOYSA-N -1 0 365.398 -0.169 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn2c1OCCC2)c1cc2c(cn1)OCCO2 ZINC000821218940 661082118 /nfs/dbraw/zinc/08/21/18/661082118.db2.gz JZOFTCSUDJMOLZ-UHFFFAOYSA-N -1 0 366.355 -0.050 20 0 FBADRM CCN(Cc1ccccc1)C(=O)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821222426 607210290 /nfs/dbraw/zinc/21/02/90/607210290.db2.gz RIQZIOTVZBPCDV-UHFFFAOYSA-N -1 0 369.389 -0.377 20 0 FBADRM Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000821225056 597828098 /nfs/dbraw/zinc/82/80/98/597828098.db2.gz SXOWAESWFUZVKI-SDQBBNPISA-N -1 0 363.305 -0.137 20 0 FBADRM Cc1nnnn1/C(=C/c1cccc(F)c1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000821225057 597828522 /nfs/dbraw/zinc/82/85/22/597828522.db2.gz SXOWAESWFUZVKI-WUXMJOGZSA-N -1 0 363.305 -0.137 20 0 FBADRM Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000821225254 597827061 /nfs/dbraw/zinc/82/70/61/597827061.db2.gz ZOXNEVXIXZVYPW-SDQBBNPISA-N -1 0 363.305 -0.137 20 0 FBADRM Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000821225255 597826911 /nfs/dbraw/zinc/82/69/11/597826911.db2.gz ZOXNEVXIXZVYPW-WUXMJOGZSA-N -1 0 363.305 -0.137 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CCCN(CC(=O)NCC(=O)[O-])CC1 ZINC000821235291 597767438 /nfs/dbraw/zinc/76/74/38/597767438.db2.gz DMUZRLAJICCQRM-UHFFFAOYSA-N -1 0 374.419 -0.811 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)NCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC000821236979 661082223 /nfs/dbraw/zinc/08/22/23/661082223.db2.gz BLZUPYQEAQSQGE-UHFFFAOYSA-N -1 0 361.401 -0.275 20 0 FBADRM Cc1oc(C(=O)OCc2cn(CC(=O)[O-])nn2)cc1S(=O)(=O)N(C)C ZINC000821248081 597358139 /nfs/dbraw/zinc/35/81/39/597358139.db2.gz CLRGFTXPHBTZNT-UHFFFAOYSA-N -1 0 372.359 -0.129 20 0 FBADRM Cc1oc(C(=O)OCC(=O)NCC(=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000821248290 597835265 /nfs/dbraw/zinc/83/52/65/597835265.db2.gz LFEBHNJXZIXHAH-UHFFFAOYSA-N -1 0 374.371 -0.270 20 0 FBADRM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)OCc1cn(CC(=O)[O-])nn1 ZINC000821248808 597361830 /nfs/dbraw/zinc/36/18/30/597361830.db2.gz XBBKDUFAHBNOCF-UHFFFAOYSA-N -1 0 372.359 -0.129 20 0 FBADRM CC(C)(C)C[C@@H](O)[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000821250659 661082161 /nfs/dbraw/zinc/08/21/61/661082161.db2.gz SHUYYDJBZPXLSP-NXEZZACHSA-N -1 0 359.466 -0.409 20 0 FBADRM CC(C)(C)C[C@H](O)[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000821250700 661082143 /nfs/dbraw/zinc/08/21/43/661082143.db2.gz SHUYYDJBZPXLSP-UWVGGRQHSA-N -1 0 359.466 -0.409 20 0 FBADRM CC(C)(C)C[C@H](O)[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000821250701 661082199 /nfs/dbraw/zinc/08/21/99/661082199.db2.gz SHUYYDJBZPXLSP-VHSXEESVSA-N -1 0 359.466 -0.409 20 0 FBADRM CC(C)(C)C[C@@H](O)[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000821250702 661082165 /nfs/dbraw/zinc/08/21/65/661082165.db2.gz SHUYYDJBZPXLSP-ZJUUUORDSA-N -1 0 359.466 -0.409 20 0 FBADRM Cc1sc2ncn(CC(=O)OCC(=O)NCC(=O)[O-])c(=O)c2c1C ZINC000821257909 597829403 /nfs/dbraw/zinc/82/94/03/597829403.db2.gz XKXQCZJPZKTIRS-UHFFFAOYSA-N -1 0 353.356 -0.181 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)CC(C)(C)C ZINC000821262488 661082364 /nfs/dbraw/zinc/08/23/64/661082364.db2.gz VLMSLSIYLIAKBZ-NXEZZACHSA-N -1 0 374.481 -0.905 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)CC(C)(C)C ZINC000821262490 661082447 /nfs/dbraw/zinc/08/24/47/661082447.db2.gz VLMSLSIYLIAKBZ-UWVGGRQHSA-N -1 0 374.481 -0.905 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)CC(C)(C)C ZINC000821262491 661082383 /nfs/dbraw/zinc/08/23/83/661082383.db2.gz VLMSLSIYLIAKBZ-VHSXEESVSA-N -1 0 374.481 -0.905 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)CC(C)(C)C ZINC000821262493 661082403 /nfs/dbraw/zinc/08/24/03/661082403.db2.gz VLMSLSIYLIAKBZ-ZJUUUORDSA-N -1 0 374.481 -0.905 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)CC(C)(C)C)cc1C(N)=O ZINC000821263806 661082400 /nfs/dbraw/zinc/08/24/00/661082400.db2.gz ZNKOAMKKDJIURZ-GHMZBOCLSA-N -1 0 361.420 -0.347 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)CC(C)(C)C)cc1C(N)=O ZINC000821263810 661082360 /nfs/dbraw/zinc/08/23/60/661082360.db2.gz ZNKOAMKKDJIURZ-MNOVXSKESA-N -1 0 361.420 -0.347 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)CC(C)(C)C)cc1C(N)=O ZINC000821263812 661082437 /nfs/dbraw/zinc/08/24/37/661082437.db2.gz ZNKOAMKKDJIURZ-QWRGUYRKSA-N -1 0 361.420 -0.347 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)CC(C)(C)C)cc1C(N)=O ZINC000821263813 661082322 /nfs/dbraw/zinc/08/23/22/661082322.db2.gz ZNKOAMKKDJIURZ-WDEREUQCSA-N -1 0 361.420 -0.347 20 0 FBADRM Cn1c2ncn(CCOC(=O)c3ccc(C(=O)[O-])cc3)c2c(=O)n(C)c1=O ZINC000821268759 598159447 /nfs/dbraw/zinc/15/94/47/598159447.db2.gz FYGFQLYWMHAOJU-UHFFFAOYSA-N -1 0 372.337 -0.011 20 0 FBADRM Cn1c(C(=O)OCC(=O)NCC(=O)[O-])cc2c1nc1ccccn1c2=O ZINC000821269094 597829413 /nfs/dbraw/zinc/82/94/13/597829413.db2.gz LBYAPVQZVSOEOF-UHFFFAOYSA-N -1 0 358.310 -0.456 20 0 FBADRM Cn1c2ncn(CCOC(=O)c3cccc(C(=O)[O-])c3)c2c(=O)n(C)c1=O ZINC000821269522 598144941 /nfs/dbraw/zinc/14/49/41/598144941.db2.gz YRAJMBRYJVLGRY-UHFFFAOYSA-N -1 0 372.337 -0.011 20 0 FBADRM CCNC(=O)C1CN(C(=O)c2cc(-c3nnn[n-]3)c(SC)[nH]c2=O)C1 ZINC000821276378 606641824 /nfs/dbraw/zinc/64/18/24/606641824.db2.gz KFGCAQVIBJRZKG-UHFFFAOYSA-N -1 0 363.403 -0.103 20 0 FBADRM CCN1CCc2nc(NC(=O)Cn3cnc(-c4nnn[n-]4)n3)sc2C1 ZINC000821276386 607205655 /nfs/dbraw/zinc/20/56/55/607205655.db2.gz KMBCHVZTZCWSRM-UHFFFAOYSA-N -1 0 360.407 -0.069 20 0 FBADRM Cn1c(N)c(C(=O)COC(=O)c2cccc(C(=O)[O-])c2)c(=O)n(C)c1=O ZINC000821277370 598144686 /nfs/dbraw/zinc/14/46/86/598144686.db2.gz FVKWSWDAJIVISE-UHFFFAOYSA-N -1 0 361.310 -0.596 20 0 FBADRM CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821277440 606884933 /nfs/dbraw/zinc/88/49/33/606884933.db2.gz SPLPDUFADFWOBD-LURJTMIESA-N -1 0 360.346 -0.052 20 0 FBADRM CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821277441 606884887 /nfs/dbraw/zinc/88/48/87/606884887.db2.gz SPLPDUFADFWOBD-ZCFIWIBFSA-N -1 0 360.346 -0.052 20 0 FBADRM Cn1cc(-c2nc([C@@H]3COCCN3CC(=O)NCC(=O)[O-])no2)cn1 ZINC000821277845 597811804 /nfs/dbraw/zinc/81/18/04/597811804.db2.gz QNRXIJYCLYJNTM-JTQLQIEISA-N -1 0 350.335 -0.956 20 0 FBADRM Cn1cc(-c2nc([C@H]3COCCN3CC(=O)NCC(=O)[O-])no2)cn1 ZINC000821277847 597811945 /nfs/dbraw/zinc/81/19/45/597811945.db2.gz QNRXIJYCLYJNTM-SNVBAGLBSA-N -1 0 350.335 -0.956 20 0 FBADRM Cn1c(N)c(C(=O)COC(=O)c2ccc(C(=O)[O-])cc2)c(=O)n(C)c1=O ZINC000821277926 598159223 /nfs/dbraw/zinc/15/92/23/598159223.db2.gz WDKODTVZMFORIE-UHFFFAOYSA-N -1 0 361.310 -0.596 20 0 FBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821284766 599620889 /nfs/dbraw/zinc/62/08/89/599620889.db2.gz HNDRORNOXJECQL-UHFFFAOYSA-N -1 0 366.403 -0.022 20 0 FBADRM CCNC(=O)COc1cccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000821286300 607207166 /nfs/dbraw/zinc/20/71/66/607207166.db2.gz PQWHEYVLRATTNV-UHFFFAOYSA-N -1 0 371.361 -0.388 20 0 FBADRM CCNC(=O)COc1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1 ZINC000821286643 607207172 /nfs/dbraw/zinc/20/71/72/607207172.db2.gz TZYRMSSKJGGYQO-UHFFFAOYSA-N -1 0 371.361 -0.388 20 0 FBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821286681 599619874 /nfs/dbraw/zinc/61/98/74/599619874.db2.gz VTQJYJXERLVGLO-UHFFFAOYSA-N -1 0 366.403 -0.022 20 0 FBADRM CCNS(=O)(=O)c1cccc(C(=O)n2ncc(-c3nn[nH]n3)c2N)c1 ZINC000821294079 606288323 /nfs/dbraw/zinc/28/83/23/606288323.db2.gz RKYKFNGVBSPNFA-UHFFFAOYSA-N -1 0 362.375 -0.368 20 0 FBADRM CCNC(=O)c1ccc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1 ZINC000821294790 607207937 /nfs/dbraw/zinc/20/79/37/607207937.db2.gz YDLDJCOGUJRWAQ-UHFFFAOYSA-N -1 0 355.362 -0.476 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)C(=O)Nc3ccccc3C(=O)[O-])C2=O)cn1 ZINC000821297445 598174513 /nfs/dbraw/zinc/17/45/13/598174513.db2.gz AMZALZZWFNZYCQ-CYBMUJFWSA-N -1 0 371.353 -0.022 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)C(=O)Nc3ccccc3C(=O)[O-])C2=O)cn1 ZINC000821297480 598174531 /nfs/dbraw/zinc/17/45/31/598174531.db2.gz AMZALZZWFNZYCQ-ZDUSSCGKSA-N -1 0 371.353 -0.022 20 0 FBADRM Cn1cc(N2CCN(C(=O)C(=O)Nc3ccccc3C(=O)[O-])CC2=O)cn1 ZINC000821298937 598175303 /nfs/dbraw/zinc/17/53/03/598175303.db2.gz ZXVWDOQGYPJWRT-UHFFFAOYSA-N -1 0 371.353 -0.068 20 0 FBADRM Cn1ccnc1CN1CCC[C@@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)C1=O ZINC000821304786 605288933 /nfs/dbraw/zinc/28/89/33/605288933.db2.gz GFAUTUFWCFBRJL-NEPJUHHUSA-N -1 0 365.390 -0.594 20 0 FBADRM Cn1ccnc1CN1CCC[C@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1=O ZINC000821304798 605288901 /nfs/dbraw/zinc/28/89/01/605288901.db2.gz GFAUTUFWCFBRJL-NWDGAFQWSA-N -1 0 365.390 -0.594 20 0 FBADRM Cn1ccnc1CN1CCC[C@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)C1=O ZINC000821304800 605288793 /nfs/dbraw/zinc/28/87/93/605288793.db2.gz GFAUTUFWCFBRJL-RYUDHWBXSA-N -1 0 365.390 -0.594 20 0 FBADRM Cn1ccnc1CN1CCC[C@@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1=O ZINC000821304801 605288681 /nfs/dbraw/zinc/28/86/81/605288681.db2.gz GFAUTUFWCFBRJL-VXGBXAGGSA-N -1 0 365.390 -0.594 20 0 FBADRM Cn1cnn(-c2ccc(NC(=O)C(=O)NCCCCC(=O)[O-])cc2)c1=O ZINC000821310727 598171933 /nfs/dbraw/zinc/17/19/33/598171933.db2.gz MQFVSLZIOSFEAC-UHFFFAOYSA-N -1 0 361.358 -0.119 20 0 FBADRM Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCC(C(=O)[O-])CC3)cc2)c1=O ZINC000821310805 598159901 /nfs/dbraw/zinc/15/99/01/598159901.db2.gz QRFVAMRUYKVLFB-UHFFFAOYSA-N -1 0 373.369 -0.167 20 0 FBADRM Cn1cnn(-c2ccc(NC(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)cc2)c1=O ZINC000821310946 598159962 /nfs/dbraw/zinc/15/99/62/598159962.db2.gz YOARZXXFNFCJAQ-JTQLQIEISA-N -1 0 359.342 -0.557 20 0 FBADRM Cn1cnn(-c2ccc(NC(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)cc2)c1=O ZINC000821310948 598159893 /nfs/dbraw/zinc/15/98/93/598159893.db2.gz YOARZXXFNFCJAQ-SNVBAGLBSA-N -1 0 359.342 -0.557 20 0 FBADRM CCOC(=O)C(C)(C)n1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cn1 ZINC000821315732 607224334 /nfs/dbraw/zinc/22/43/34/607224334.db2.gz VYLWAJCFVGMPEZ-UHFFFAOYSA-N -1 0 374.365 -0.408 20 0 FBADRM CCOC(=O)[C@@H](CC)Sc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821319823 606138739 /nfs/dbraw/zinc/13/87/39/606138739.db2.gz HHSMQVYHPHIQNE-SSDOTTSWSA-N -1 0 354.392 -0.302 20 0 FBADRM CCOC(=O)[C@H](CC)Sc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821319824 606138720 /nfs/dbraw/zinc/13/87/20/606138720.db2.gz HHSMQVYHPHIQNE-ZETCQYMHSA-N -1 0 354.392 -0.302 20 0 FBADRM CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821319877 607210081 /nfs/dbraw/zinc/21/00/81/607210081.db2.gz ITOKKIQIRNGQPY-GFCCVEGCSA-N -1 0 370.373 -0.251 20 0 FBADRM CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821319878 607210162 /nfs/dbraw/zinc/21/01/62/607210162.db2.gz ITOKKIQIRNGQPY-LBPRGKRZSA-N -1 0 370.373 -0.251 20 0 FBADRM CCOC(=O)[C@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000821320101 607219246 /nfs/dbraw/zinc/21/92/46/607219246.db2.gz KLVGFEKIGFYEEX-GFCCVEGCSA-N -1 0 370.373 -0.079 20 0 FBADRM CCOC(=O)[C@@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000821320107 607219475 /nfs/dbraw/zinc/21/94/75/607219475.db2.gz KLVGFEKIGFYEEX-LBPRGKRZSA-N -1 0 370.373 -0.079 20 0 FBADRM CCOC(=O)COCCn1cc(C(=O)OC)cc(-c2nnn[n-]2)c1=O ZINC000821330095 606703640 /nfs/dbraw/zinc/70/36/40/606703640.db2.gz DAMJOGIMUXZJDL-UHFFFAOYSA-N -1 0 351.319 -0.605 20 0 FBADRM CCOC(=O)N(C)C1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000821334074 607213518 /nfs/dbraw/zinc/21/35/18/607213518.db2.gz HLWVBPUAJJCNHS-UHFFFAOYSA-N -1 0 363.382 -0.463 20 0 FBADRM CCOC(=O)N[C@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)CC(C)C ZINC000821335039 607207564 /nfs/dbraw/zinc/20/75/64/607207564.db2.gz WPEZDBNYKDOTOO-JTQLQIEISA-N -1 0 365.398 -0.265 20 0 FBADRM CCOC(=O)N[C@@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)CC(C)C ZINC000821335040 607207430 /nfs/dbraw/zinc/20/74/30/607207430.db2.gz WPEZDBNYKDOTOO-SNVBAGLBSA-N -1 0 365.398 -0.265 20 0 FBADRM CCOC(=O)c1cc(Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)cn1C ZINC000821337554 606720377 /nfs/dbraw/zinc/72/03/77/606720377.db2.gz JWUJILRHRKWAMH-UHFFFAOYSA-N -1 0 374.361 -0.477 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000821337871 607029523 /nfs/dbraw/zinc/02/95/23/607029523.db2.gz PQGRNAQBPWJKMY-SECBINFHSA-N -1 0 363.378 -0.956 20 0 FBADRM CCOC(=O)[C@@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C(C)(C)C ZINC000821338269 606834396 /nfs/dbraw/zinc/83/43/96/606834396.db2.gz UEZOXPXSAGHZML-SECBINFHSA-N -1 0 365.394 -0.346 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[nH]n1 ZINC000821342840 606708832 /nfs/dbraw/zinc/70/88/32/606708832.db2.gz JPIYKIZIYWKVPO-UHFFFAOYSA-N -1 0 367.351 -0.699 20 0 FBADRM CCOC(=O)c1ccc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1 ZINC000821343488 607210207 /nfs/dbraw/zinc/21/02/07/607210207.db2.gz ONOQFKMTUKDOEI-UHFFFAOYSA-N -1 0 356.346 -0.049 20 0 FBADRM NC(=NOCC(=O)NCC(=O)[O-])c1cccc(CN2CCOCC2)c1 ZINC000821344980 597761731 /nfs/dbraw/zinc/76/17/31/597761731.db2.gz BGZLGUUGZVFCHX-UHFFFAOYSA-N -1 0 350.375 -0.434 20 0 FBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)O1 ZINC000821345185 602041330 /nfs/dbraw/zinc/04/13/30/602041330.db2.gz NMLPKJHSCWDMMI-GZMMTYOYSA-N -1 0 353.306 -0.389 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)O1 ZINC000821345186 602041075 /nfs/dbraw/zinc/04/10/75/602041075.db2.gz NMLPKJHSCWDMMI-KCJUWKMLSA-N -1 0 353.306 -0.389 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)O1 ZINC000821345187 602041262 /nfs/dbraw/zinc/04/12/62/602041262.db2.gz NMLPKJHSCWDMMI-KWQFWETISA-N -1 0 353.306 -0.389 20 0 FBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)O1 ZINC000821345188 602041279 /nfs/dbraw/zinc/04/12/79/602041279.db2.gz NMLPKJHSCWDMMI-LDYMZIIASA-N -1 0 353.306 -0.389 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)o1 ZINC000821350067 600938189 /nfs/dbraw/zinc/93/81/89/600938189.db2.gz JIWOWDBBYAWUGC-UHFFFAOYSA-N -1 0 373.387 -0.584 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)NCC(=O)NC2CCC(C(=O)[O-])CC2)c[nH]1 ZINC000821352942 600938340 /nfs/dbraw/zinc/93/83/40/600938340.db2.gz DMQCWBKMBHNTKV-UHFFFAOYSA-N -1 0 372.403 -0.849 20 0 FBADRM NC(=O)c1cc(CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)on1 ZINC000821353200 598021769 /nfs/dbraw/zinc/02/17/69/598021769.db2.gz OVNQDAUQWSTMPO-UHFFFAOYSA-N -1 0 350.262 -0.134 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N3CCC(C(=O)[O-])CC3)cc21 ZINC000821357061 597460215 /nfs/dbraw/zinc/46/02/15/597460215.db2.gz FKNMYXLOKBCZPY-UHFFFAOYSA-N -1 0 359.342 -0.077 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000821357072 598169324 /nfs/dbraw/zinc/16/93/24/598169324.db2.gz GJAUZUFHFWREKV-UHFFFAOYSA-N -1 0 370.431 -0.248 20 0 FBADRM NS(=O)(=O)c1cc(Br)cnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC000821357151 598226257 /nfs/dbraw/zinc/22/62/57/598226257.db2.gz JWYRWLQUQKVSDG-SSDOTTSWSA-N -1 0 366.193 -0.219 20 0 FBADRM NS(=O)(=O)c1cc(Br)cnc1N1CCO[C@H](C(=O)[O-])C1 ZINC000821357154 598226228 /nfs/dbraw/zinc/22/62/28/598226228.db2.gz JWYRWLQUQKVSDG-ZETCQYMHSA-N -1 0 366.193 -0.219 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)OCC(=O)NCC(=O)[O-])ccc1Cl ZINC000821357164 597831065 /nfs/dbraw/zinc/83/10/65/597831065.db2.gz KAGRAYZSXJHRKB-UHFFFAOYSA-N -1 0 350.736 -0.655 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000821357236 598169248 /nfs/dbraw/zinc/16/92/48/598169248.db2.gz MQYPUWVKDMOIES-UHFFFAOYSA-N -1 0 370.431 -0.248 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000821357604 598176999 /nfs/dbraw/zinc/17/69/99/598176999.db2.gz WNRQRGINEBINQD-UHFFFAOYSA-N -1 0 356.404 -0.177 20 0 FBADRM NS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NCC(=O)[O-])c1 ZINC000821363831 597829396 /nfs/dbraw/zinc/82/93/96/597829396.db2.gz DGUZYESXOFARJO-UHFFFAOYSA-N -1 0 350.736 -0.655 20 0 FBADRM NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NCCCCC(=O)[O-])c1 ZINC000821363836 598172038 /nfs/dbraw/zinc/17/20/38/598172038.db2.gz DSPSNMBCLYDIDH-UHFFFAOYSA-N -1 0 361.351 -0.217 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NCCCCC(=O)[O-] ZINC000821364071 598165581 /nfs/dbraw/zinc/16/55/81/598165581.db2.gz MDUXCGKIZQCZGD-UHFFFAOYSA-N -1 0 371.371 -0.387 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000821364164 597458675 /nfs/dbraw/zinc/45/86/75/597458675.db2.gz RRZPUDSCHJGLSD-LLVKDONJSA-N -1 0 355.372 -0.262 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000821364165 597459025 /nfs/dbraw/zinc/45/90/25/597459025.db2.gz RRZPUDSCHJGLSD-NSHDSACASA-N -1 0 355.372 -0.262 20 0 FBADRM NS(=O)(=O)c1cccc2c1ccnc2C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000821364201 597734907 /nfs/dbraw/zinc/73/49/07/597734907.db2.gz VXECABAEXOKWBT-LLVKDONJSA-N -1 0 365.367 -0.192 20 0 FBADRM NS(=O)(=O)c1cccc2c1ccnc2C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000821364202 597735138 /nfs/dbraw/zinc/73/51/38/597735138.db2.gz VXECABAEXOKWBT-NSHDSACASA-N -1 0 365.367 -0.192 20 0 FBADRM Nc1nc(CN2CCN(CC(=O)NCC(=O)[O-])CC2)nc2ccccc12 ZINC000821369673 597791958 /nfs/dbraw/zinc/79/19/58/597791958.db2.gz ZTAUAWGHGXGSHW-UHFFFAOYSA-N -1 0 358.402 -0.470 20 0 FBADRM CCOCCNC(=O)CN(C)S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821377468 661083088 /nfs/dbraw/zinc/08/30/88/661083088.db2.gz CORASAJPMYJREX-UHFFFAOYSA-N -1 0 368.419 -0.360 20 0 FBADRM CCOCCNC(=O)CN(c1cccc(-c2nn[nH]n2)c1)S(C)(=O)=O ZINC000821378373 661083228 /nfs/dbraw/zinc/08/32/28/661083228.db2.gz MJUCUDUEECENKQ-UHFFFAOYSA-N -1 0 368.419 -0.215 20 0 FBADRM O=C([O-])c1ccccc1NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000821383489 598173518 /nfs/dbraw/zinc/17/35/18/598173518.db2.gz IXAYFZHHXSVNBN-UHFFFAOYSA-N -1 0 374.397 -0.254 20 0 FBADRM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCCCC1 ZINC000821399922 597338647 /nfs/dbraw/zinc/33/86/47/597338647.db2.gz PGPANZQRVJQWLJ-NEPJUHHUSA-N -1 0 372.443 -0.074 20 0 FBADRM O=C([O-])C1(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCCCC1 ZINC000821399923 597338950 /nfs/dbraw/zinc/33/89/50/597338950.db2.gz PGPANZQRVJQWLJ-NWDGAFQWSA-N -1 0 372.443 -0.074 20 0 FBADRM O=C([O-])C1(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCCCC1 ZINC000821399924 597338736 /nfs/dbraw/zinc/33/87/36/597338736.db2.gz PGPANZQRVJQWLJ-RYUDHWBXSA-N -1 0 372.443 -0.074 20 0 FBADRM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCCCC1 ZINC000821399925 597338514 /nfs/dbraw/zinc/33/85/14/597338514.db2.gz PGPANZQRVJQWLJ-VXGBXAGGSA-N -1 0 372.443 -0.074 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCOCC2)c(F)c1 ZINC000821414910 598147341 /nfs/dbraw/zinc/14/73/41/598147341.db2.gz AVLSIXPFGAFELA-LLVKDONJSA-N -1 0 369.349 -0.728 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)NC[C@H](O)CN2CCOCC2)c(F)c1 ZINC000821414912 598147326 /nfs/dbraw/zinc/14/73/26/598147326.db2.gz AVLSIXPFGAFELA-NSHDSACASA-N -1 0 369.349 -0.728 20 0 FBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000821415383 598174751 /nfs/dbraw/zinc/17/47/51/598174751.db2.gz KJTRLUGATWYKAM-UHFFFAOYSA-N -1 0 370.383 -0.621 20 0 FBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000821415684 598175843 /nfs/dbraw/zinc/17/58/43/598175843.db2.gz TUHRNDKNJZAWIR-LLVKDONJSA-N -1 0 351.359 -0.867 20 0 FBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000821415686 598175881 /nfs/dbraw/zinc/17/58/81/598175881.db2.gz TUHRNDKNJZAWIR-NSHDSACASA-N -1 0 351.359 -0.867 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCC(=O)N2CCOCC2)c(F)c1 ZINC000821415689 598195540 /nfs/dbraw/zinc/19/55/40/598195540.db2.gz TVFPLJKFDUFWKV-UHFFFAOYSA-N -1 0 353.306 -0.563 20 0 FBADRM CCOc1ccc(NC(=O)CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1 ZINC000821422002 607210150 /nfs/dbraw/zinc/21/01/50/607210150.db2.gz JMJNCSGWWIIQDZ-UHFFFAOYSA-N -1 0 371.361 -0.388 20 0 FBADRM CCOc1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c(C(N)=O)c1 ZINC000821422023 607218087 /nfs/dbraw/zinc/21/80/87/607218087.db2.gz KCFVRIMLJKDFAD-UHFFFAOYSA-N -1 0 357.334 -0.406 20 0 FBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NCCCN1CCCS1(=O)=O ZINC000821425976 598174142 /nfs/dbraw/zinc/17/41/42/598174142.db2.gz DYXAFVPPBWCAMM-UHFFFAOYSA-N -1 0 369.399 -0.135 20 0 FBADRM O=C([O-])[C@@H]1CC(C(=O)NCCNC(=O)c2ccn[nH]2)=NN1c1ccccc1 ZINC000821426073 597665094 /nfs/dbraw/zinc/66/50/94/597665094.db2.gz JDUIRFOVFRYSID-AWEZNQCLSA-N -1 0 370.369 -0.025 20 0 FBADRM O=C([O-])[C@H]1CC(C(=O)NCCNC(=O)c2ccn[nH]2)=NN1c1ccccc1 ZINC000821426076 597664669 /nfs/dbraw/zinc/66/46/69/597664669.db2.gz JDUIRFOVFRYSID-CQSZACIVSA-N -1 0 370.369 -0.025 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCNC(=O)c2ccn[nH]2)c(F)c1 ZINC000821426373 597626952 /nfs/dbraw/zinc/62/69/52/597626952.db2.gz RHPFRMRLWYHFGA-UHFFFAOYSA-N -1 0 363.305 -0.268 20 0 FBADRM O=C([O-])c1ccccc1NC(=O)C(=O)NCCN1CCCS1(=O)=O ZINC000821426525 598174034 /nfs/dbraw/zinc/17/40/34/598174034.db2.gz YWXSVVZKSDGFJM-UHFFFAOYSA-N -1 0 355.372 -0.525 20 0 FBADRM CCOc1cccc(CCNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)n1 ZINC000821427166 606721060 /nfs/dbraw/zinc/72/10/60/606721060.db2.gz NIBKGIIHMJUVJC-UHFFFAOYSA-N -1 0 372.389 -0.288 20 0 FBADRM O=C([O-])c1cccc(CNC(=O)NCCS(=O)(=O)N2CCOCC2)c1 ZINC000821432017 601865417 /nfs/dbraw/zinc/86/54/17/601865417.db2.gz OQEAYOGRUFIMSA-UHFFFAOYSA-N -1 0 371.415 -0.154 20 0 FBADRM CCOc1ncnc2c1CN(C(=O)Cn1cnc(-c3nnn[n-]3)n1)CC2 ZINC000821437740 607222125 /nfs/dbraw/zinc/22/21/25/607222125.db2.gz RKYARUQFLICUJB-UHFFFAOYSA-N -1 0 356.350 -0.768 20 0 FBADRM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000821446757 607221433 /nfs/dbraw/zinc/22/14/33/607221433.db2.gz CVOXWSWCALFFMP-BYGADWOMSA-N -1 0 352.424 -0.346 20 0 FBADRM CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000821446759 607221427 /nfs/dbraw/zinc/22/14/27/607221427.db2.gz CVOXWSWCALFFMP-IGSRQBSMSA-N -1 0 352.424 -0.346 20 0 FBADRM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000821446761 607221659 /nfs/dbraw/zinc/22/16/59/607221659.db2.gz CVOXWSWCALFFMP-MZEXLTETSA-N -1 0 352.424 -0.346 20 0 FBADRM CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000821446763 607221400 /nfs/dbraw/zinc/22/14/00/607221400.db2.gz CVOXWSWCALFFMP-ROXXKOOQSA-N -1 0 352.424 -0.346 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)c(F)c1 ZINC000821463807 601496965 /nfs/dbraw/zinc/49/69/65/601496965.db2.gz WGUZVGAZMRMAHP-SECBINFHSA-N -1 0 350.306 -0.302 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)c(F)c1 ZINC000821463808 601496955 /nfs/dbraw/zinc/49/69/55/601496955.db2.gz WGUZVGAZMRMAHP-VIFPVBQESA-N -1 0 350.306 -0.302 20 0 FBADRM O=C([O-])c1ccccc1NC(=O)C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000821470391 598174690 /nfs/dbraw/zinc/17/46/90/598174690.db2.gz OYWFOTDYQKCZJX-LLVKDONJSA-N -1 0 359.342 -0.158 20 0 FBADRM O=C([O-])c1ccccc1NC(=O)C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000821470392 598174625 /nfs/dbraw/zinc/17/46/25/598174625.db2.gz OYWFOTDYQKCZJX-NSHDSACASA-N -1 0 359.342 -0.158 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000821478785 597343196 /nfs/dbraw/zinc/34/31/96/597343196.db2.gz DNFCAVFGTQAPLY-GFCCVEGCSA-N -1 0 365.390 -0.913 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000821478787 597343570 /nfs/dbraw/zinc/34/35/70/597343570.db2.gz DNFCAVFGTQAPLY-LBPRGKRZSA-N -1 0 365.390 -0.913 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CCO1 ZINC000821478819 597343322 /nfs/dbraw/zinc/34/33/22/597343322.db2.gz HFFFDOIXZWBFEY-SSDOTTSWSA-N -1 0 350.253 -0.304 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CCO1 ZINC000821478820 597343313 /nfs/dbraw/zinc/34/33/13/597343313.db2.gz HFFFDOIXZWBFEY-ZETCQYMHSA-N -1 0 350.253 -0.304 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2ccccn2)CCO1 ZINC000821478822 597343666 /nfs/dbraw/zinc/34/36/66/597343666.db2.gz HMAONNZMVAUAQZ-GFCCVEGCSA-N -1 0 359.342 -0.423 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2ccccn2)CCO1 ZINC000821478823 597343293 /nfs/dbraw/zinc/34/32/93/597343293.db2.gz HMAONNZMVAUAQZ-LBPRGKRZSA-N -1 0 359.342 -0.423 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000821478839 597343212 /nfs/dbraw/zinc/34/32/12/597343212.db2.gz ILPPNSVZAKZSRG-GFCCVEGCSA-N -1 0 365.390 -0.913 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000821478840 597343648 /nfs/dbraw/zinc/34/36/48/597343648.db2.gz ILPPNSVZAKZSRG-LBPRGKRZSA-N -1 0 365.390 -0.913 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ncccc3F)n2)CCO1 ZINC000821478906 597419850 /nfs/dbraw/zinc/41/98/50/597419850.db2.gz IYZWUOUZCAIQNU-JTQLQIEISA-N -1 0 363.305 -0.343 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ncccc3F)n2)CCO1 ZINC000821478912 597419812 /nfs/dbraw/zinc/41/98/12/597419812.db2.gz IYZWUOUZCAIQNU-SNVBAGLBSA-N -1 0 363.305 -0.343 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)CCO1 ZINC000821478941 597343226 /nfs/dbraw/zinc/34/32/26/597343226.db2.gz KPHWQJBPVKFDRE-CYBMUJFWSA-N -1 0 359.342 -0.423 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)CCO1 ZINC000821478942 597343317 /nfs/dbraw/zinc/34/33/17/597343317.db2.gz KPHWQJBPVKFDRE-ZDUSSCGKSA-N -1 0 359.342 -0.423 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)CCO1 ZINC000821479180 597343396 /nfs/dbraw/zinc/34/33/96/597343396.db2.gz RJTJGRVAWULTKB-CYBMUJFWSA-N -1 0 359.342 -0.423 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)CCO1 ZINC000821479182 597343208 /nfs/dbraw/zinc/34/32/08/597343208.db2.gz RJTJGRVAWULTKB-ZDUSSCGKSA-N -1 0 359.342 -0.423 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cccnc2OCC(F)F)CCO1 ZINC000821479312 598061353 /nfs/dbraw/zinc/06/13/53/598061353.db2.gz XDWBTSHNSLRJCY-SECBINFHSA-N -1 0 359.285 -0.024 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cccnc2OCC(F)F)CCO1 ZINC000821479313 598061222 /nfs/dbraw/zinc/06/12/22/598061222.db2.gz XDWBTSHNSLRJCY-VIFPVBQESA-N -1 0 359.285 -0.024 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)CCO1 ZINC000821479438 598095229 /nfs/dbraw/zinc/09/52/29/598095229.db2.gz ZGVDQDXMJCKUHT-GFCCVEGCSA-N -1 0 359.342 -0.423 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)CCO1 ZINC000821479441 598095067 /nfs/dbraw/zinc/09/50/67/598095067.db2.gz ZGVDQDXMJCKUHT-LBPRGKRZSA-N -1 0 359.342 -0.423 20 0 FBADRM O=C([O-])[C@@H]1CC(C(=O)N2CCN(C(=O)CO)CC2)=NN1c1ccccc1 ZINC000821483462 598058167 /nfs/dbraw/zinc/05/81/67/598058167.db2.gz CONWRHIBNJXKER-AWEZNQCLSA-N -1 0 360.370 -0.631 20 0 FBADRM O=C([O-])[C@H]1CC(C(=O)N2CCN(C(=O)CO)CC2)=NN1c1ccccc1 ZINC000821483463 598057938 /nfs/dbraw/zinc/05/79/38/598057938.db2.gz CONWRHIBNJXKER-CQSZACIVSA-N -1 0 360.370 -0.631 20 0 FBADRM CN(C[C@H](O)CO)C(=O)c1cnc(I)c([O-])c1 ZINC000821486484 661083880 /nfs/dbraw/zinc/08/38/80/661083880.db2.gz DYATUTFPQNKHFD-ZETCQYMHSA-N -1 0 352.128 -0.183 20 0 FBADRM CCc1cccc(NC(=O)CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000821492673 607212060 /nfs/dbraw/zinc/21/20/60/607212060.db2.gz SMXUMWCXJOROQW-UHFFFAOYSA-N -1 0 355.362 -0.225 20 0 FBADRM CCc1cnc(CCNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)s1 ZINC000821496461 599083282 /nfs/dbraw/zinc/08/32/82/599083282.db2.gz GKIOXWQAFGIOQK-UHFFFAOYSA-N -1 0 362.419 -0.062 20 0 FBADRM CCc1cnc(CN(C)c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)s1 ZINC000821497230 606164349 /nfs/dbraw/zinc/16/43/49/606164349.db2.gz RATDFFKBVXMYIR-UHFFFAOYSA-N -1 0 362.419 -0.081 20 0 FBADRM CCc1cnc(N2CCN(C(=O)Cn3cnc(-c4nnn[n-]4)n3)CC2)s1 ZINC000821499288 607219562 /nfs/dbraw/zinc/21/95/62/607219562.db2.gz HOVBVCWYRDAMMF-UHFFFAOYSA-N -1 0 374.434 -0.174 20 0 FBADRM CCc1nc(C2(NC(=O)Cn3cnc(-c4nnn[n-]4)n3)CCCC2)no1 ZINC000821504995 607221498 /nfs/dbraw/zinc/22/14/98/607221498.db2.gz NWLGVAZLSIGATJ-UHFFFAOYSA-N -1 0 358.366 -0.011 20 0 FBADRM O=C([O-])[C@H]1CCCN1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000821508982 598207028 /nfs/dbraw/zinc/20/70/28/598207028.db2.gz JNWGNJYFIFXFOP-LLVKDONJSA-N -1 0 351.363 -0.177 20 0 FBADRM O=C([O-])[C@@H]1CCCN1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000821508983 598207048 /nfs/dbraw/zinc/20/70/48/598207048.db2.gz JNWGNJYFIFXFOP-NSHDSACASA-N -1 0 351.363 -0.177 20 0 FBADRM O=C([O-])[C@H]1CCCCN1C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000821509164 601630014 /nfs/dbraw/zinc/63/00/14/601630014.db2.gz WVMFJHRHCDKUCK-CMPLNLGQSA-N -1 0 371.415 -0.382 20 0 FBADRM O=C([O-])[C@H]1CCCN1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000821509169 598207350 /nfs/dbraw/zinc/20/73/50/598207350.db2.gz KHQUQUYGEFSSHD-GFCCVEGCSA-N -1 0 351.363 -0.177 20 0 FBADRM O=C([O-])[C@@H]1CCCN1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000821509170 598207368 /nfs/dbraw/zinc/20/73/68/598207368.db2.gz KHQUQUYGEFSSHD-LBPRGKRZSA-N -1 0 351.363 -0.177 20 0 FBADRM O=C([O-])[C@@H]1CCCCN1C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000821509174 597448236 /nfs/dbraw/zinc/44/82/36/597448236.db2.gz WVMFJHRHCDKUCK-JQWIXIFHSA-N -1 0 371.415 -0.382 20 0 FBADRM O=C([O-])[C@@H]1CCCCN1C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000821509175 597448239 /nfs/dbraw/zinc/44/82/39/597448239.db2.gz WVMFJHRHCDKUCK-PWSUYJOCSA-N -1 0 371.415 -0.382 20 0 FBADRM O=C([O-])[C@H]1CCCCN1C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000821509176 601630257 /nfs/dbraw/zinc/63/02/57/601630257.db2.gz WVMFJHRHCDKUCK-ZYHUDNBSSA-N -1 0 371.415 -0.382 20 0 FBADRM CCc1nc2n(n1)CCC[C@H]2Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821510199 606729051 /nfs/dbraw/zinc/72/90/51/606729051.db2.gz YQLGRVGLZQLXNZ-MRVPVSSYSA-N -1 0 372.393 -0.635 20 0 FBADRM CCc1nc2n(n1)CCC[C@@H]2Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821510252 606729496 /nfs/dbraw/zinc/72/94/96/606729496.db2.gz YQLGRVGLZQLXNZ-QMMMGPOBSA-N -1 0 372.393 -0.635 20 0 FBADRM O=C([O-])C1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000821510471 597342512 /nfs/dbraw/zinc/34/25/12/597342512.db2.gz GXNKCNPSSNWOBZ-UHFFFAOYSA-N -1 0 356.404 -0.134 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CCO1 ZINC000821510927 598191720 /nfs/dbraw/zinc/19/17/20/598191720.db2.gz OATVNBSNFNFXFA-COPLHBTASA-N -1 0 362.404 -0.782 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CCO1 ZINC000821510999 598191805 /nfs/dbraw/zinc/19/18/05/598191805.db2.gz OATVNBSNFNFXFA-MJVIPROJSA-N -1 0 362.404 -0.782 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CCO1 ZINC000821511001 598191854 /nfs/dbraw/zinc/19/18/54/598191854.db2.gz OATVNBSNFNFXFA-SUNKGSAMSA-N -1 0 362.404 -0.782 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CCO1 ZINC000821511005 598191767 /nfs/dbraw/zinc/19/17/67/598191767.db2.gz OATVNBSNFNFXFA-UHIISALHSA-N -1 0 362.404 -0.782 20 0 FBADRM O=C([O-])CCCCN1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000821516250 597795352 /nfs/dbraw/zinc/79/53/52/597795352.db2.gz MLOWMNIAVGKUJL-CYBMUJFWSA-N -1 0 361.464 -0.838 20 0 FBADRM O=C([O-])CCCCN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000821516251 597796185 /nfs/dbraw/zinc/79/61/85/597796185.db2.gz MLOWMNIAVGKUJL-ZDUSSCGKSA-N -1 0 361.464 -0.838 20 0 FBADRM O=C([O-])CCCCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000821516334 598172215 /nfs/dbraw/zinc/17/22/15/598172215.db2.gz QMALTHLDPSQZNF-UHFFFAOYSA-N -1 0 362.386 -0.068 20 0 FBADRM O=C([O-])CCCCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000821516375 598171941 /nfs/dbraw/zinc/17/19/41/598171941.db2.gz REZJMPNCLKVIGX-UHFFFAOYSA-N -1 0 363.374 -0.673 20 0 FBADRM CCc1nn(CCCOC(=O)NC(N)=O)c(=O)c(-c2nnn[n-]2)c1CC ZINC000821517531 607304528 /nfs/dbraw/zinc/30/45/28/607304528.db2.gz KEISQDVKZBYVSS-UHFFFAOYSA-N -1 0 364.366 -0.257 20 0 FBADRM CCc1nn(CCN2CCCS2(=O)=O)c(=O)c(-c2nnn[n-]2)c1CC ZINC000821517669 607466021 /nfs/dbraw/zinc/46/60/21/607466021.db2.gz MKXASKPJGBZMLB-UHFFFAOYSA-N -1 0 367.435 -0.416 20 0 FBADRM O=C([O-])CCCCNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000821517730 598165403 /nfs/dbraw/zinc/16/54/03/598165403.db2.gz CJXFUDRGTZBVJG-JTQLQIEISA-N -1 0 359.404 -0.477 20 0 FBADRM O=C([O-])CCCCNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000821517733 598165311 /nfs/dbraw/zinc/16/53/11/598165311.db2.gz CJXFUDRGTZBVJG-SNVBAGLBSA-N -1 0 359.404 -0.477 20 0 FBADRM O=C([O-])CCCCNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000821519030 598167857 /nfs/dbraw/zinc/16/78/57/598167857.db2.gz JMUNWZRARIYXOJ-UHFFFAOYSA-N -1 0 356.423 -0.573 20 0 FBADRM O=C([O-])CCCCNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000821519060 598167182 /nfs/dbraw/zinc/16/71/82/598167182.db2.gz OKWIPEORQXTCGY-UHFFFAOYSA-N -1 0 354.407 -0.283 20 0 FBADRM CCc1nnc(N2CCCN(CC(N)=O)CC2)c(-c2nn[nH]n2)c1CC ZINC000821522687 606921930 /nfs/dbraw/zinc/92/19/30/606921930.db2.gz NQNVGLHJDPEIFD-UHFFFAOYSA-N -1 0 359.438 -0.221 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000821524806 597726069 /nfs/dbraw/zinc/72/60/69/597726069.db2.gz BEQCUVQIVGYRCP-UHFFFAOYSA-N -1 0 366.378 -0.790 20 0 FBADRM O=C([O-])CNC(=O)CN1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000821529050 597766416 /nfs/dbraw/zinc/76/64/16/597766416.db2.gz BTVRPROVBKOPMC-UHFFFAOYSA-N -1 0 361.445 -0.308 20 0 FBADRM O=C([O-])CNC(=O)CN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000821529872 597793930 /nfs/dbraw/zinc/79/39/30/597793930.db2.gz PSWHTCHDLXRBEK-UHFFFAOYSA-N -1 0 373.406 -0.231 20 0 FBADRM O=C([O-])CNC(=O)CN1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000821530219 597791407 /nfs/dbraw/zinc/79/14/07/597791407.db2.gz AFJBYJWLXVMOGA-UHFFFAOYSA-N -1 0 359.386 -0.346 20 0 FBADRM O=C([O-])CNC(=O)CN1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000821530239 597795692 /nfs/dbraw/zinc/79/56/92/597795692.db2.gz BNJABKDWCVVUPO-UHFFFAOYSA-N -1 0 374.441 -0.216 20 0 FBADRM O=C([O-])CNC(=O)CN1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000821530249 597800717 /nfs/dbraw/zinc/80/07/17/597800717.db2.gz CFYBKNPVYCJVDU-UHFFFAOYSA-N -1 0 352.366 -0.417 20 0 FBADRM O=C([O-])CNC(=O)CN1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000821530318 597772499 /nfs/dbraw/zinc/77/24/99/597772499.db2.gz FNXHPCZQCXPDLP-UHFFFAOYSA-N -1 0 355.416 -0.416 20 0 FBADRM O=C([O-])CNC(=O)CNc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000821530380 597743844 /nfs/dbraw/zinc/74/38/44/597743844.db2.gz HZLDOPCJVSIANW-UHFFFAOYSA-N -1 0 357.388 -0.680 20 0 FBADRM O=C([O-])CNC(=O)CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000821530533 597769777 /nfs/dbraw/zinc/76/97/77/597769777.db2.gz ISZPYTRQPZSPOC-UHFFFAOYSA-N -1 0 365.415 -0.926 20 0 FBADRM O=C([O-])CNC(=O)CN1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000821530624 597800035 /nfs/dbraw/zinc/80/00/35/597800035.db2.gz NYMQFNWMAATLHL-LLVKDONJSA-N -1 0 361.354 -0.816 20 0 FBADRM O=C([O-])CNC(=O)CN1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000821530664 597799971 /nfs/dbraw/zinc/79/99/71/597799971.db2.gz NYMQFNWMAATLHL-NSHDSACASA-N -1 0 361.354 -0.816 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)CCC(=O)N1CC(=O)Nc2ccccc21 ZINC000821530745 597829546 /nfs/dbraw/zinc/82/95/46/597829546.db2.gz CJRUAXYYYASIFW-UHFFFAOYSA-N -1 0 363.326 -0.504 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000821530805 597833510 /nfs/dbraw/zinc/83/35/10/597833510.db2.gz AJWWAFNLTHDWNP-UHFFFAOYSA-N -1 0 374.346 -0.376 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)[C@H](c1ccccc1F)N1CCOCC1 ZINC000821530884 600714234 /nfs/dbraw/zinc/71/42/34/600714234.db2.gz DMPUVHMXXVSKNG-HNNXBMFYSA-N -1 0 354.334 -0.057 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000821530887 600714312 /nfs/dbraw/zinc/71/43/12/600714312.db2.gz DMPUVHMXXVSKNG-OAHLLOKOSA-N -1 0 354.334 -0.057 20 0 FBADRM O=C([O-])CNC(=O)CN1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000821531000 597771179 /nfs/dbraw/zinc/77/11/79/597771179.db2.gz TUSMYYFDINLNSR-UHFFFAOYSA-N -1 0 360.414 -0.606 20 0 FBADRM O=C([O-])CNC(=O)CNc1ccccc1OCC(=O)N1CCOCC1 ZINC000821531365 597747738 /nfs/dbraw/zinc/74/77/38/597747738.db2.gz QVQJJHUZCAHDEB-UHFFFAOYSA-N -1 0 351.359 -0.463 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000821531438 600709190 /nfs/dbraw/zinc/70/91/90/600709190.db2.gz HOWIJOIHOWJQPQ-HNNXBMFYSA-N -1 0 354.334 -0.057 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000821531442 600709257 /nfs/dbraw/zinc/70/92/57/600709257.db2.gz HOWIJOIHOWJQPQ-OAHLLOKOSA-N -1 0 354.334 -0.057 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000821531455 597832479 /nfs/dbraw/zinc/83/24/79/597832479.db2.gz HWXXAYNLZOVTTH-GFCCVEGCSA-N -1 0 370.383 -0.416 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000821531456 597832399 /nfs/dbraw/zinc/83/23/99/597832399.db2.gz HWXXAYNLZOVTTH-LBPRGKRZSA-N -1 0 370.383 -0.416 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000821531909 597834604 /nfs/dbraw/zinc/83/46/04/597834604.db2.gz MHSLIFYZPONIPD-LLVKDONJSA-N -1 0 350.327 -0.259 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000821531912 597834608 /nfs/dbraw/zinc/83/46/08/597834608.db2.gz MHSLIFYZPONIPD-NSHDSACASA-N -1 0 350.327 -0.259 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000821531980 597822640 /nfs/dbraw/zinc/82/26/40/597822640.db2.gz NTDFPTBNKHEBHL-UHFFFAOYSA-N -1 0 373.159 -0.077 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000821532189 597839733 /nfs/dbraw/zinc/83/97/33/597839733.db2.gz OFVINFVIAWIAPJ-UHFFFAOYSA-N -1 0 370.792 -0.576 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000821532211 597825211 /nfs/dbraw/zinc/82/52/11/597825211.db2.gz QPVRTCFONCYQKC-UHFFFAOYSA-N -1 0 370.383 -0.171 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)CCNC(=O)N1CCc2ccccc2C1 ZINC000821532258 600678391 /nfs/dbraw/zinc/67/83/91/600678391.db2.gz PTGCFBRTJQHTIH-UHFFFAOYSA-N -1 0 363.370 -0.112 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)CNC(=O)c1cccc(Br)c1 ZINC000821532298 597829612 /nfs/dbraw/zinc/82/96/12/597829612.db2.gz QKJYZOZAIAXZEY-UHFFFAOYSA-N -1 0 373.159 -0.077 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000821532307 597829252 /nfs/dbraw/zinc/82/92/52/597829252.db2.gz QQPPVJCRKWMZIF-UHFFFAOYSA-N -1 0 364.763 -0.638 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)c1cccnc1S(=O)(=O)C(F)(F)F ZINC000821532327 597839468 /nfs/dbraw/zinc/83/94/68/597839468.db2.gz JLEGZMHSLRUHET-UHFFFAOYSA-N -1 0 370.261 -0.267 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000821532382 597826460 /nfs/dbraw/zinc/82/64/60/597826460.db2.gz LJPCLZKCSNMOLV-UHFFFAOYSA-N -1 0 356.356 -0.515 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000821532471 597833477 /nfs/dbraw/zinc/83/34/77/597833477.db2.gz SSZHELDIAWNWBT-UHFFFAOYSA-N -1 0 360.344 -0.578 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)CN1C(=O)COc2ccc(Cl)cc21 ZINC000821532488 597828358 /nfs/dbraw/zinc/82/83/58/597828358.db2.gz SHMNJHJAUXIUSS-UHFFFAOYSA-N -1 0 356.718 -0.191 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000821532491 597826458 /nfs/dbraw/zinc/82/64/58/597826458.db2.gz SYMWIYSJFFNVOC-UHFFFAOYSA-N -1 0 356.356 -0.515 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000821532621 597847365 /nfs/dbraw/zinc/84/73/65/597847365.db2.gz QJAYZBNZROTJOC-UHFFFAOYSA-N -1 0 362.298 -0.810 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000821532648 597826938 /nfs/dbraw/zinc/82/69/38/597826938.db2.gz UYXMSNHWDFOAPJ-UHFFFAOYSA-N -1 0 356.356 -0.416 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)CNC(=O)c1ccc(Br)o1 ZINC000821532665 597829249 /nfs/dbraw/zinc/82/92/49/597829249.db2.gz UOMGBWCVUCTPFY-UHFFFAOYSA-N -1 0 363.120 -0.484 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000821532687 597828069 /nfs/dbraw/zinc/82/80/69/597828069.db2.gz RMTMUAVQUNFLFI-UHFFFAOYSA-N -1 0 356.356 -0.416 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000821532777 597830474 /nfs/dbraw/zinc/83/04/74/597830474.db2.gz XTYKUXVAMKXWIL-UHFFFAOYSA-N -1 0 353.262 -0.614 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000821532824 597830488 /nfs/dbraw/zinc/83/04/88/597830488.db2.gz ZDTXDABQPAVVGA-UHFFFAOYSA-N -1 0 359.294 -0.113 20 0 FBADRM O=C([O-])CNC(=O)Cn1ncc(Br)c(Br)c1=O ZINC000821533243 597752701 /nfs/dbraw/zinc/75/27/01/597752701.db2.gz AGVCUTIKYMCHND-UHFFFAOYSA-N -1 0 368.969 -0.031 20 0 FBADRM O=C([O-])CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000821533261 597714714 /nfs/dbraw/zinc/71/47/14/597714714.db2.gz BNKPXQDVFMRKRD-KOLCDFICSA-N -1 0 362.791 -0.335 20 0 FBADRM O=C([O-])CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000821533262 597714928 /nfs/dbraw/zinc/71/49/28/597714928.db2.gz BNKPXQDVFMRKRD-ONGXEEELSA-N -1 0 362.791 -0.335 20 0 FBADRM O=C([O-])CNC(=O)Cn1cc(F)cc(I)c1=O ZINC000821533268 597759938 /nfs/dbraw/zinc/75/99/38/597759938.db2.gz BSAGJJYVEORXMP-UHFFFAOYSA-N -1 0 354.075 -0.207 20 0 FBADRM O=C([O-])CNC(=O)Cn1cnc2c(cnn2CCOc2ccccc2)c1=O ZINC000821533499 597758848 /nfs/dbraw/zinc/75/88/48/597758848.db2.gz QLMYVHZVEQNBOX-UHFFFAOYSA-N -1 0 371.353 -0.127 20 0 FBADRM O=C([O-])CNC(=O)C[S@@](=O)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000821533888 597736833 /nfs/dbraw/zinc/73/68/33/597736833.db2.gz AGKLSCHCAKUDSP-RUZDIDTESA-N -1 0 367.339 -0.085 20 0 FBADRM O=C([O-])CNC(=O)C[S@](=O)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000821533891 597736765 /nfs/dbraw/zinc/73/67/65/597736765.db2.gz AGKLSCHCAKUDSP-VWLOTQADSA-N -1 0 367.339 -0.085 20 0 FBADRM O=C([O-])CNC(=O)C[S@](=O)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000821534873 597737379 /nfs/dbraw/zinc/73/73/79/597737379.db2.gz RSHGHHWDELKPOT-HSZRJFAPSA-N -1 0 357.775 -0.203 20 0 FBADRM O=C([O-])CNC(=O)C[S@@](=O)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000821534875 597737445 /nfs/dbraw/zinc/73/74/45/597737445.db2.gz RSHGHHWDELKPOT-QHCPKHFHSA-N -1 0 357.775 -0.203 20 0 FBADRM O=C([O-])Cn1cc(COC(=O)C2CCC3(CC2)NC(=O)NC3=O)nn1 ZINC000821537260 597357189 /nfs/dbraw/zinc/35/71/89/597357189.db2.gz BPUJCWRNCJCCLL-UHFFFAOYSA-N -1 0 351.319 -0.826 20 0 FBADRM O=C([O-])Cn1cc(COC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)nn1 ZINC000821537438 661084112 /nfs/dbraw/zinc/08/41/12/661084112.db2.gz DPIROEDHJRDOOE-SSDOTTSWSA-N -1 0 350.253 -0.183 20 0 FBADRM O=C([O-])Cn1cc(COC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)nn1 ZINC000821537441 661084066 /nfs/dbraw/zinc/08/40/66/661084066.db2.gz DPIROEDHJRDOOE-ZETCQYMHSA-N -1 0 350.253 -0.183 20 0 FBADRM O=C([O-])Cn1cc(COC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)nn1 ZINC000821537727 661084134 /nfs/dbraw/zinc/08/41/34/661084134.db2.gz GAMDBSGZZZPKAZ-HTQZYQBOSA-N -1 0 350.253 -0.137 20 0 FBADRM O=C([O-])Cn1cc(COC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)nn1 ZINC000821537728 661084089 /nfs/dbraw/zinc/08/40/89/661084089.db2.gz GAMDBSGZZZPKAZ-JGVFFNPUSA-N -1 0 350.253 -0.137 20 0 FBADRM O=C([O-])Cn1cc(COC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)nn1 ZINC000821537729 661084254 /nfs/dbraw/zinc/08/42/54/661084254.db2.gz GAMDBSGZZZPKAZ-SFYZADRCSA-N -1 0 350.253 -0.137 20 0 FBADRM O=C([O-])Cn1cc(COC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)nn1 ZINC000821537730 661084245 /nfs/dbraw/zinc/08/42/45/661084245.db2.gz GAMDBSGZZZPKAZ-YUMQZZPRSA-N -1 0 350.253 -0.137 20 0 FBADRM O=C([O-])Cn1cc(COC(=O)CN2C(=O)NC3(CCCCC3)C2=O)nn1 ZINC000821537756 597360645 /nfs/dbraw/zinc/36/06/45/597360645.db2.gz GIQPCXYDSBALRL-UHFFFAOYSA-N -1 0 365.346 -0.339 20 0 FBADRM O=C([O-])Cn1cc(COC(=O)CN2C(=O)NC3(CCCC3)C2=O)nn1 ZINC000821537924 597360591 /nfs/dbraw/zinc/36/05/91/597360591.db2.gz HFSFFOVGRGKAKA-UHFFFAOYSA-N -1 0 351.319 -0.730 20 0 FBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000821538613 598147419 /nfs/dbraw/zinc/14/74/19/598147419.db2.gz SKBSZKRURZJFLQ-AWEZNQCLSA-N -1 0 365.386 -0.939 20 0 FBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000821538615 598147426 /nfs/dbraw/zinc/14/74/26/598147426.db2.gz SKBSZKRURZJFLQ-CQSZACIVSA-N -1 0 365.386 -0.939 20 0 FBADRM O=C([O-])Cn1cc(COC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)nn1 ZINC000821538798 598086521 /nfs/dbraw/zinc/08/65/21/598086521.db2.gz PFOXKVWNKCPERA-LLVKDONJSA-N -1 0 359.342 -0.150 20 0 FBADRM O=C([O-])Cn1cc(COC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)nn1 ZINC000821538803 598086315 /nfs/dbraw/zinc/08/63/15/598086315.db2.gz PFOXKVWNKCPERA-NSHDSACASA-N -1 0 359.342 -0.150 20 0 FBADRM O=C([O-])Cc1cccc(NC(=O)C(=O)NCCNC(=O)c2ccn[nH]2)c1 ZINC000821539090 597626930 /nfs/dbraw/zinc/62/69/30/597626930.db2.gz ZKNMHAZSDCFMIZ-UHFFFAOYSA-N -1 0 359.342 -0.479 20 0 FBADRM O=C([O-])Cn1cc(COC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)nn1 ZINC000821539104 597361447 /nfs/dbraw/zinc/36/14/47/597361447.db2.gz QOELLHRBSUBVSH-UHFFFAOYSA-N -1 0 373.325 -0.088 20 0 FBADRM O=C([O-])Cn1cc(COC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)nn1 ZINC000821539119 597358151 /nfs/dbraw/zinc/35/81/51/597358151.db2.gz QYOKSVZMLXXIBX-RYUDHWBXSA-N -1 0 364.358 -0.029 20 0 FBADRM O=C([O-])Cn1cc(COC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)nn1 ZINC000821539121 597358483 /nfs/dbraw/zinc/35/84/83/597358483.db2.gz QYOKSVZMLXXIBX-TXEJJXNPSA-N -1 0 364.358 -0.029 20 0 FBADRM O=C([O-])Cn1cc(COC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)nn1 ZINC000821539123 597358308 /nfs/dbraw/zinc/35/83/08/597358308.db2.gz QYOKSVZMLXXIBX-VXGBXAGGSA-N -1 0 364.358 -0.029 20 0 FBADRM O=C([O-])Cn1cc(COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)nn1 ZINC000821539170 597361697 /nfs/dbraw/zinc/36/16/97/597361697.db2.gz SCVRCOCHNSNIKW-GHMZBOCLSA-N -1 0 350.331 -0.419 20 0 FBADRM O=C([O-])Cn1cc(COC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)nn1 ZINC000821539172 597361442 /nfs/dbraw/zinc/36/14/42/597361442.db2.gz SCVRCOCHNSNIKW-PHIMTYICSA-N -1 0 350.331 -0.419 20 0 FBADRM O=C([O-])Cn1cc(COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)nn1 ZINC000821539174 597361775 /nfs/dbraw/zinc/36/17/75/597361775.db2.gz SCVRCOCHNSNIKW-QWRGUYRKSA-N -1 0 350.331 -0.419 20 0 FBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000821539296 598147484 /nfs/dbraw/zinc/14/74/84/598147484.db2.gz FKSCLMHCNYJGBC-CYBMUJFWSA-N -1 0 365.386 -0.939 20 0 FBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000821539297 598147491 /nfs/dbraw/zinc/14/74/91/598147491.db2.gz FKSCLMHCNYJGBC-ZDUSSCGKSA-N -1 0 365.386 -0.939 20 0 FBADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000821539322 597627014 /nfs/dbraw/zinc/62/70/14/597627014.db2.gz GXTPAIMKNIQOAO-UHFFFAOYSA-N -1 0 359.342 -0.479 20 0 FBADRM O=C([O-])Cn1cc(COC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)nn1 ZINC000821539891 597362343 /nfs/dbraw/zinc/36/23/43/597362343.db2.gz PFABYQXUEJAVEV-UHFFFAOYSA-N -1 0 359.298 -0.478 20 0 FBADRM O=C([O-])c1ccc(CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 ZINC000821544825 598077074 /nfs/dbraw/zinc/07/70/74/598077074.db2.gz NLGACLKKPLCFIK-CABCVRRESA-N -1 0 354.428 -0.340 20 0 FBADRM O=C([O-])c1ccc(CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 ZINC000821544826 598077058 /nfs/dbraw/zinc/07/70/58/598077058.db2.gz NLGACLKKPLCFIK-GJZGRUSLSA-N -1 0 354.428 -0.340 20 0 FBADRM O=C([O-])c1ccc(CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 ZINC000821544827 598076558 /nfs/dbraw/zinc/07/65/58/598076558.db2.gz NLGACLKKPLCFIK-HUUCEWRRSA-N -1 0 354.428 -0.340 20 0 FBADRM O=C([O-])c1ccc(CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 ZINC000821544828 598076454 /nfs/dbraw/zinc/07/64/54/598076454.db2.gz NLGACLKKPLCFIK-LSDHHAIUSA-N -1 0 354.428 -0.340 20 0 FBADRM O=C([O-])c1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000821544979 598155438 /nfs/dbraw/zinc/15/54/38/598155438.db2.gz OKAAFNSDOPBOER-KBPBESRZSA-N -1 0 368.411 -0.388 20 0 FBADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000821544983 598155481 /nfs/dbraw/zinc/15/54/81/598155481.db2.gz OKAAFNSDOPBOER-KGLIPLIRSA-N -1 0 368.411 -0.388 20 0 FBADRM O=C([O-])c1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000821544986 598155433 /nfs/dbraw/zinc/15/54/33/598155433.db2.gz OKAAFNSDOPBOER-UONOGXRCSA-N -1 0 368.411 -0.388 20 0 FBADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000821544989 598155467 /nfs/dbraw/zinc/15/54/67/598155467.db2.gz OKAAFNSDOPBOER-ZIAGYGMSSA-N -1 0 368.411 -0.388 20 0 FBADRM O=C([O-])c1cccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000821548522 598142548 /nfs/dbraw/zinc/14/25/48/598142548.db2.gz YFIAFSJCLGIXFF-KBPBESRZSA-N -1 0 368.411 -0.388 20 0 FBADRM O=C([O-])c1cccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000821548524 598142551 /nfs/dbraw/zinc/14/25/51/598142551.db2.gz YFIAFSJCLGIXFF-KGLIPLIRSA-N -1 0 368.411 -0.388 20 0 FBADRM O=C([O-])c1cccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000821548525 598142559 /nfs/dbraw/zinc/14/25/59/598142559.db2.gz YFIAFSJCLGIXFF-UONOGXRCSA-N -1 0 368.411 -0.388 20 0 FBADRM O=C([O-])c1cccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000821548526 598142622 /nfs/dbraw/zinc/14/26/22/598142622.db2.gz YFIAFSJCLGIXFF-ZIAGYGMSSA-N -1 0 368.411 -0.388 20 0 FBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)CCc2ccc(Cl)cc2)c1=O ZINC000821548972 661084150 /nfs/dbraw/zinc/08/41/50/661084150.db2.gz GCIZKSWEHWBCRJ-UHFFFAOYSA-N -1 0 358.807 -0.076 20 0 FBADRM O=C([O-])[C@H]1CC(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)=NN1c1ccccc1 ZINC000821554405 598052627 /nfs/dbraw/zinc/05/26/27/598052627.db2.gz UOMXOROSOPAABH-CHWSQXEVSA-N -1 0 371.353 -0.532 20 0 FBADRM O=C([O-])[C@H]1CC(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)=NN1c1ccccc1 ZINC000821554409 598052871 /nfs/dbraw/zinc/05/28/71/598052871.db2.gz UOMXOROSOPAABH-OLZOCXBDSA-N -1 0 371.353 -0.532 20 0 FBADRM O=C([O-])[C@@H]1CC(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)=NN1c1ccccc1 ZINC000821554411 598052713 /nfs/dbraw/zinc/05/27/13/598052713.db2.gz UOMXOROSOPAABH-QWHCGFSZSA-N -1 0 371.353 -0.532 20 0 FBADRM O=C([O-])[C@@H]1CC(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)=NN1c1ccccc1 ZINC000821554413 598052777 /nfs/dbraw/zinc/05/27/77/598052777.db2.gz UOMXOROSOPAABH-STQMWFEESA-N -1 0 371.353 -0.532 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)C1 ZINC000821556229 598169909 /nfs/dbraw/zinc/16/99/09/598169909.db2.gz CVVIWNFDDCKURM-NEPJUHHUSA-N -1 0 373.365 -0.237 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)C1 ZINC000821556230 598169929 /nfs/dbraw/zinc/16/99/29/598169929.db2.gz CVVIWNFDDCKURM-NWDGAFQWSA-N -1 0 373.365 -0.237 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)C1 ZINC000821556231 598169913 /nfs/dbraw/zinc/16/99/13/598169913.db2.gz CVVIWNFDDCKURM-RYUDHWBXSA-N -1 0 373.365 -0.237 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)C1 ZINC000821556232 598169968 /nfs/dbraw/zinc/16/99/68/598169968.db2.gz CVVIWNFDDCKURM-VXGBXAGGSA-N -1 0 373.365 -0.237 20 0 FBADRM O=C([O-])[C@@H]1CC(C(=O)NCCCN2CCNC(=O)C2)=NN1c1ccccc1 ZINC000821556294 598056026 /nfs/dbraw/zinc/05/60/26/598056026.db2.gz FNZOGEMGQUTWOK-HNNXBMFYSA-N -1 0 373.413 -0.356 20 0 FBADRM O=C([O-])[C@H]1CC(C(=O)NCCCN2CCNC(=O)C2)=NN1c1ccccc1 ZINC000821556296 598056245 /nfs/dbraw/zinc/05/62/45/598056245.db2.gz FNZOGEMGQUTWOK-OAHLLOKOSA-N -1 0 373.413 -0.356 20 0 FBADRM O=C([O-])[C@@H]1CC(C(=O)NCCN2CCNC(=O)C2)=NN1c1ccccc1 ZINC000821556799 597700310 /nfs/dbraw/zinc/70/03/10/597700310.db2.gz JOMRYVCTSDITDN-AWEZNQCLSA-N -1 0 359.386 -0.746 20 0 FBADRM O=C([O-])[C@H]1CC(C(=O)NCCN2CCNC(=O)C2)=NN1c1ccccc1 ZINC000821556801 597700176 /nfs/dbraw/zinc/70/01/76/597700176.db2.gz JOMRYVCTSDITDN-CQSZACIVSA-N -1 0 359.386 -0.746 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)c(F)c1 ZINC000821557728 597708505 /nfs/dbraw/zinc/70/85/05/597708505.db2.gz YQXYASQXFAINPJ-UHFFFAOYSA-N -1 0 352.322 -0.990 20 0 FBADRM CCc1noc(CC)c1CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821558991 606724634 /nfs/dbraw/zinc/72/46/34/606724634.db2.gz NUUFNBFASOFILM-UHFFFAOYSA-N -1 0 360.378 -0.011 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CCCNC(=O)C(F)(F)F)c1=O ZINC000821565381 606825022 /nfs/dbraw/zinc/82/50/22/606825022.db2.gz QGXHCFHBGGKCNX-UHFFFAOYSA-N -1 0 361.284 -0.721 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CCCS(=O)(=O)C(C)C)c1=O ZINC000821565425 607007052 /nfs/dbraw/zinc/00/70/52/607007052.db2.gz SBXOHYXRJMMCBL-UHFFFAOYSA-N -1 0 356.408 -0.577 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2ccc(-n3ccnc3)nc2)c1=O ZINC000821565451 606332607 /nfs/dbraw/zinc/33/26/07/606332607.db2.gz UAQXBGBWMCTEJK-UHFFFAOYSA-N -1 0 365.357 -0.161 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CCCNC(=O)C2CCCC2)c1=O ZINC000821565526 606429318 /nfs/dbraw/zinc/42/93/18/606429318.db2.gz XHJDUJNTYCFIOD-UHFFFAOYSA-N -1 0 361.406 -0.094 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[nH]n3)cn2C)cn1 ZINC000821566411 606410838 /nfs/dbraw/zinc/41/08/38/606410838.db2.gz CEUXBQZDUSQCNY-UHFFFAOYSA-N -1 0 350.364 -0.460 20 0 FBADRM CCn1ccnc1CN1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000821566475 607215997 /nfs/dbraw/zinc/21/59/97/607215997.db2.gz GJETWVQHBJFIOS-UHFFFAOYSA-N -1 0 371.409 -0.981 20 0 FBADRM CCn1ncc2c1CCC[C@@H]2Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821568368 606241207 /nfs/dbraw/zinc/24/12/07/606241207.db2.gz RIJOIZBHALGKKK-JTQLQIEISA-N -1 0 371.405 -0.030 20 0 FBADRM CCn1ncc2c1CCC[C@H]2Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821568369 606241449 /nfs/dbraw/zinc/24/14/49/606241449.db2.gz RIJOIZBHALGKKK-SNVBAGLBSA-N -1 0 371.405 -0.030 20 0 FBADRM CCn1nnnc1-c1cccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000821568474 607218020 /nfs/dbraw/zinc/21/80/20/607218020.db2.gz WDAQKBMAPKRXKR-UHFFFAOYSA-N -1 0 366.349 -0.230 20 0 FBADRM CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000821571773 607218144 /nfs/dbraw/zinc/21/81/44/607218144.db2.gz DZLIPSBDKULUQE-LLVKDONJSA-N -1 0 369.393 -0.624 20 0 FBADRM CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000821571774 607218048 /nfs/dbraw/zinc/21/80/48/607218048.db2.gz DZLIPSBDKULUQE-NSHDSACASA-N -1 0 369.393 -0.624 20 0 FBADRM CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000821571833 607216090 /nfs/dbraw/zinc/21/60/90/607216090.db2.gz HLZZJMNIKNAEFC-GFCCVEGCSA-N -1 0 367.373 -0.278 20 0 FBADRM CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000821571834 607216075 /nfs/dbraw/zinc/21/60/75/607216075.db2.gz HLZZJMNIKNAEFC-LBPRGKRZSA-N -1 0 367.373 -0.278 20 0 FBADRM CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000821572181 607217013 /nfs/dbraw/zinc/21/70/13/607217013.db2.gz VBYMZMZPWSNSJT-SSDOTTSWSA-N -1 0 373.299 -0.920 20 0 FBADRM CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000821572182 607217097 /nfs/dbraw/zinc/21/70/97/607217097.db2.gz VBYMZMZPWSNSJT-ZETCQYMHSA-N -1 0 373.299 -0.920 20 0 FBADRM CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000821572183 607218695 /nfs/dbraw/zinc/21/86/95/607218695.db2.gz VCSCMZFZXFOOGN-NXEZZACHSA-N -1 0 368.423 -0.728 20 0 FBADRM CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000821572184 607218671 /nfs/dbraw/zinc/21/86/71/607218671.db2.gz VCSCMZFZXFOOGN-UWVGGRQHSA-N -1 0 368.423 -0.728 20 0 FBADRM CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000821572185 607218767 /nfs/dbraw/zinc/21/87/67/607218767.db2.gz VCSCMZFZXFOOGN-VHSXEESVSA-N -1 0 368.423 -0.728 20 0 FBADRM CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000821572186 607218929 /nfs/dbraw/zinc/21/89/29/607218929.db2.gz VCSCMZFZXFOOGN-ZJUUUORDSA-N -1 0 368.423 -0.728 20 0 FBADRM CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821574391 607215925 /nfs/dbraw/zinc/21/59/25/607215925.db2.gz FCLUWZNQBUVSQX-GFCCVEGCSA-N -1 0 369.389 -0.726 20 0 FBADRM CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821574392 607216018 /nfs/dbraw/zinc/21/60/18/607216018.db2.gz FCLUWZNQBUVSQX-LBPRGKRZSA-N -1 0 369.389 -0.726 20 0 FBADRM CN(C)C(=O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821575422 606886644 /nfs/dbraw/zinc/88/66/44/606886644.db2.gz BITJSIVHXODJOK-UHFFFAOYSA-N -1 0 360.346 -0.099 20 0 FBADRM CN(C)C(=O)C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000821575601 607210237 /nfs/dbraw/zinc/21/02/37/607210237.db2.gz IMCHPUHJMJNFIG-GFCCVEGCSA-N -1 0 369.389 -0.206 20 0 FBADRM CN(C)C(=O)C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000821575602 607210240 /nfs/dbraw/zinc/21/02/40/607210240.db2.gz IMCHPUHJMJNFIG-LBPRGKRZSA-N -1 0 369.389 -0.206 20 0 FBADRM CN(C)C(=O)COc1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1 ZINC000821577885 607207337 /nfs/dbraw/zinc/20/73/37/607207337.db2.gz BHUBACWBOQOFTB-UHFFFAOYSA-N -1 0 371.361 -0.436 20 0 FBADRM CN(C)C(=O)COc1cccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000821577986 607208163 /nfs/dbraw/zinc/20/81/63/607208163.db2.gz IDAHQENPHXMTPP-UHFFFAOYSA-N -1 0 371.361 -0.436 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)ccc1F ZINC000821578253 607222375 /nfs/dbraw/zinc/22/23/75/607222375.db2.gz VQEJEAYTAXRIBH-UHFFFAOYSA-N -1 0 359.325 -0.062 20 0 FBADRM CN(C)CC(=O)Nc1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1 ZINC000821583018 607220846 /nfs/dbraw/zinc/22/08/46/607220846.db2.gz GEFNXZRYSPLYNV-UHFFFAOYSA-N -1 0 370.377 -0.403 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000821583753 661084351 /nfs/dbraw/zinc/08/43/51/661084351.db2.gz GQIQNRMMVFKDOB-GHMZBOCLSA-N -1 0 369.461 -0.011 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000821583754 661084376 /nfs/dbraw/zinc/08/43/76/661084376.db2.gz GQIQNRMMVFKDOB-MNOVXSKESA-N -1 0 369.461 -0.011 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000821583755 661084493 /nfs/dbraw/zinc/08/44/93/661084493.db2.gz GQIQNRMMVFKDOB-QWRGUYRKSA-N -1 0 369.461 -0.011 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000821583756 661084529 /nfs/dbraw/zinc/08/45/29/661084529.db2.gz GQIQNRMMVFKDOB-WDEREUQCSA-N -1 0 369.461 -0.011 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O ZINC000821584063 661084319 /nfs/dbraw/zinc/08/43/19/661084319.db2.gz QGGPIZIDLMXXTG-SECBINFHSA-N -1 0 358.438 -0.944 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O ZINC000821584064 661084408 /nfs/dbraw/zinc/08/44/08/661084408.db2.gz QGGPIZIDLMXXTG-VIFPVBQESA-N -1 0 358.438 -0.944 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CCN1C(=O)CCC1=O ZINC000821585250 661084532 /nfs/dbraw/zinc/08/45/32/661084532.db2.gz JADDIRMVISOVSD-JTQLQIEISA-N -1 0 362.404 -0.297 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CCN1C(=O)CCC1=O ZINC000821585251 661084438 /nfs/dbraw/zinc/08/44/38/661084438.db2.gz JADDIRMVISOVSD-SNVBAGLBSA-N -1 0 362.404 -0.297 20 0 FBADRM O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1 ZINC000821588793 661084328 /nfs/dbraw/zinc/08/43/28/661084328.db2.gz JCYUCSUCHGKMIP-UHFFFAOYSA-N -1 0 351.344 -0.698 20 0 FBADRM CN(C)c1nc(CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)cs1 ZINC000821590825 606142630 /nfs/dbraw/zinc/14/26/30/606142630.db2.gz HSKFZPUWFKHXLM-UHFFFAOYSA-N -1 0 363.407 -0.601 20 0 FBADRM CN(C)c1cccc(CN(C)c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)c1 ZINC000821590864 607306956 /nfs/dbraw/zinc/30/69/56/607306956.db2.gz JTAXHFWYMFGKQQ-UHFFFAOYSA-N -1 0 370.417 -0.034 20 0 FBADRM CN(CC(=O)NCc1ccccc1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821592663 607218752 /nfs/dbraw/zinc/21/87/52/607218752.db2.gz OWRTXDBEPXKNHC-UHFFFAOYSA-N -1 0 355.362 -0.767 20 0 FBADRM CN(CC(=O)NCc1cccs1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821592755 607216963 /nfs/dbraw/zinc/21/69/63/607216963.db2.gz TZPVMNSWJRJCEP-UHFFFAOYSA-N -1 0 361.391 -0.706 20 0 FBADRM CN(CC(=O)Nc1cccc(F)c1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821593988 607205102 /nfs/dbraw/zinc/20/51/02/607205102.db2.gz SPSRYRQVNRSOMY-UHFFFAOYSA-N -1 0 359.325 -0.306 20 0 FBADRM CN(C[C@@H](O)COCc1ccccc1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821595127 607221478 /nfs/dbraw/zinc/22/14/78/607221478.db2.gz NHQOBHNZNYLVLT-CYBMUJFWSA-N -1 0 372.389 -0.506 20 0 FBADRM CN(C[C@H](O)COCc1ccccc1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821595128 607221546 /nfs/dbraw/zinc/22/15/46/607221546.db2.gz NHQOBHNZNYLVLT-ZDUSSCGKSA-N -1 0 372.389 -0.506 20 0 FBADRM CN(C[C@H]1CCCN1c1cccnn1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821596559 607218104 /nfs/dbraw/zinc/21/81/04/607218104.db2.gz OBQJHEXTTOERDV-LLVKDONJSA-N -1 0 369.393 -0.624 20 0 FBADRM CN(C[C@@H]1CCCN1c1cccnn1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821596560 607218184 /nfs/dbraw/zinc/21/81/84/607218184.db2.gz OBQJHEXTTOERDV-NSHDSACASA-N -1 0 369.393 -0.624 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)OCCN3C(=O)CNC3=O)cc2[n-]c1=S ZINC000821597045 661084428 /nfs/dbraw/zinc/08/44/28/661084428.db2.gz CLXSOBAHXGAZDQ-UHFFFAOYSA-N -1 0 362.367 -0.069 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000821597316 661084629 /nfs/dbraw/zinc/08/46/29/661084629.db2.gz ODQAPGFOSQXAGK-PELKAZGASA-N -1 0 350.418 -0.551 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000821597317 661084692 /nfs/dbraw/zinc/08/46/92/661084692.db2.gz ODQAPGFOSQXAGK-PRHODGIISA-N -1 0 350.418 -0.551 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000821597318 661084650 /nfs/dbraw/zinc/08/46/50/661084650.db2.gz ODQAPGFOSQXAGK-QPUJVOFHSA-N -1 0 350.418 -0.551 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000821597319 661084753 /nfs/dbraw/zinc/08/47/53/661084753.db2.gz ODQAPGFOSQXAGK-UFBFGSQYSA-N -1 0 350.418 -0.551 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CCNC(=O)OCC(F)(F)F ZINC000821597328 661084702 /nfs/dbraw/zinc/08/47/02/661084702.db2.gz OJZCNNMKTSGLQC-UHFFFAOYSA-N -1 0 364.298 -0.326 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CCn1nnc2ccccc2c1=O ZINC000821597468 661084745 /nfs/dbraw/zinc/08/47/45/661084745.db2.gz VNBFYFCTGFOOCE-UHFFFAOYSA-N -1 0 368.371 -0.809 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccccc1Cn1cncn1 ZINC000821597537 661084706 /nfs/dbraw/zinc/08/47/06/661084706.db2.gz YKFZCHMFTKGNJZ-UHFFFAOYSA-N -1 0 352.372 -0.051 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000821598426 661084751 /nfs/dbraw/zinc/08/47/51/661084751.db2.gz CCRGTRKZVRSKAZ-JTQLQIEISA-N -1 0 358.372 -0.363 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000821598427 661084664 /nfs/dbraw/zinc/08/46/64/661084664.db2.gz CCRGTRKZVRSKAZ-SNVBAGLBSA-N -1 0 358.372 -0.363 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccccc1SCC(N)=O ZINC000821598448 661084735 /nfs/dbraw/zinc/08/47/35/661084735.db2.gz DCDXPWMLLVGSJI-UHFFFAOYSA-N -1 0 360.413 -0.113 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CCn1cnc2ccccc2c1=O ZINC000821598457 661084652 /nfs/dbraw/zinc/08/46/52/661084652.db2.gz DRANGBRYKJCFTB-UHFFFAOYSA-N -1 0 367.383 -0.204 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)C1CCN(c2cnccn2)CC1 ZINC000821598490 661084709 /nfs/dbraw/zinc/08/47/09/661084709.db2.gz FUUANCLSXWAJGZ-UHFFFAOYSA-N -1 0 356.404 -0.298 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)c(OC)c1 ZINC000821598502 661084640 /nfs/dbraw/zinc/08/46/40/661084640.db2.gz GCAURNJSHJCYTM-UHFFFAOYSA-N -1 0 374.371 -0.818 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000821598541 661084714 /nfs/dbraw/zinc/08/47/14/661084714.db2.gz IIZIIHNGSVXIJF-UHFFFAOYSA-N -1 0 363.413 -0.146 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000821598584 661084700 /nfs/dbraw/zinc/08/47/00/661084700.db2.gz JQVJXVKGHMLAKR-UHFFFAOYSA-N -1 0 355.372 -0.161 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cnn(C)c1Br ZINC000821598638 661084676 /nfs/dbraw/zinc/08/46/76/661084676.db2.gz LSIGMMZNIHYXPX-UHFFFAOYSA-N -1 0 354.182 -0.195 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)Cn1c2ccccc2n(C)c1=O ZINC000821598677 661084680 /nfs/dbraw/zinc/08/46/80/661084680.db2.gz NOZZWVPKDPDDPD-UHFFFAOYSA-N -1 0 355.372 -0.651 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cn(Cc2ccccc2)nn1 ZINC000821598691 661084673 /nfs/dbraw/zinc/08/46/73/661084673.db2.gz OMSYMLFXVTVHFT-UHFFFAOYSA-N -1 0 352.372 -0.051 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CCN1C(=O)COc2ccccc21 ZINC000821598715 661084633 /nfs/dbraw/zinc/08/46/33/661084633.db2.gz PHHJANARBCLFLI-UHFFFAOYSA-N -1 0 370.383 -0.189 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CCc1c(C)nc2ncnn2c1C ZINC000821598828 661084638 /nfs/dbraw/zinc/08/46/38/661084638.db2.gz URKLRKLVSNHHDE-UHFFFAOYSA-N -1 0 369.403 -0.317 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000821598910 661084578 /nfs/dbraw/zinc/08/45/78/661084578.db2.gz YJCSVUKPWGKZCW-UHFFFAOYSA-N -1 0 354.340 -0.465 20 0 FBADRM CN(CCCNC(=O)Cn1cnc(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC000821599100 607209008 /nfs/dbraw/zinc/20/90/08/607209008.db2.gz FVYWIJWYRUGPLP-UHFFFAOYSA-N -1 0 365.398 -0.169 20 0 FBADRM CN(CCCNC(=O)OC(C)(C)C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821599376 607218260 /nfs/dbraw/zinc/21/82/60/607218260.db2.gz QRGDKXVCHOSFNG-UHFFFAOYSA-N -1 0 365.398 -0.169 20 0 FBADRM CN(CCC(=O)OC(C)(C)C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821599396 606950452 /nfs/dbraw/zinc/95/04/52/606950452.db2.gz RPLVYGSHBBYQPN-UHFFFAOYSA-N -1 0 365.394 -0.568 20 0 FBADRM CN(CCNC(=O)Cn1cnc(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC000821602682 607212749 /nfs/dbraw/zinc/21/27/49/607212749.db2.gz ODNMLECDWQLKHF-UHFFFAOYSA-N -1 0 351.371 -0.559 20 0 FBADRM CN(CCOCc1ccccc1)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821603862 606806953 /nfs/dbraw/zinc/80/69/53/606806953.db2.gz RSWXGDXXQGVKDO-UHFFFAOYSA-N -1 0 371.401 -0.083 20 0 FBADRM CN(Cc1ccccc1)C(=O)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821614584 607208888 /nfs/dbraw/zinc/20/88/88/607208888.db2.gz MGVPYZPBTNLUNP-UHFFFAOYSA-N -1 0 355.362 -0.767 20 0 FBADRM Cc1nc(N(C)C)sc1S(=O)(=O)[N-]C(=O)CCN1C(=O)CCC1=O ZINC000821615187 661084668 /nfs/dbraw/zinc/08/46/68/661084668.db2.gz LZBWMSRANILRMD-UHFFFAOYSA-N -1 0 374.444 -0.138 20 0 FBADRM Cc1nc(N(C)C)sc1S(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O ZINC000821615253 661084748 /nfs/dbraw/zinc/08/47/48/661084748.db2.gz ORRIOBWKIDPJIV-UHFFFAOYSA-N -1 0 370.478 -0.786 20 0 FBADRM CN(Cc1cnn(-c2ccccc2)n1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821616972 607208146 /nfs/dbraw/zinc/20/81/46/607208146.db2.gz QPHCXTYFYUIHAM-UHFFFAOYSA-N -1 0 365.361 -0.303 20 0 FBADRM CN(c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)[C@H](CCO)c1ccccc1 ZINC000821618930 606061799 /nfs/dbraw/zinc/06/17/99/606061799.db2.gz BRYRBPQXKSADNF-GFCCVEGCSA-N -1 0 371.401 -0.176 20 0 FBADRM CN(c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)[C@@H](CCO)c1ccccc1 ZINC000821618931 606061365 /nfs/dbraw/zinc/06/13/65/606061365.db2.gz BRYRBPQXKSADNF-LBPRGKRZSA-N -1 0 371.401 -0.176 20 0 FBADRM CN1C(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000821619768 661084737 /nfs/dbraw/zinc/08/47/37/661084737.db2.gz MATAFRTUNPWOAJ-GFCCVEGCSA-N -1 0 351.384 -0.003 20 0 FBADRM Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)n1 ZINC000821620407 606708355 /nfs/dbraw/zinc/70/83/55/606708355.db2.gz IWWMVMQYVIMRKA-UHFFFAOYSA-N -1 0 374.386 -0.080 20 0 FBADRM CN1C(=O)COc2ccc(NC(=O)Cn3cnc(-c4nnn[n-]4)n3)cc21 ZINC000821620636 607220926 /nfs/dbraw/zinc/22/09/26/607220926.db2.gz QSJHLPWVXUHXFY-UHFFFAOYSA-N -1 0 355.318 -0.548 20 0 FBADRM CN1C[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC1=O ZINC000821620807 607183385 /nfs/dbraw/zinc/18/33/85/607183385.db2.gz WOACQHYXGBGVSO-MRVPVSSYSA-N -1 0 363.765 -0.195 20 0 FBADRM CN1C[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC1=O ZINC000821620808 607183238 /nfs/dbraw/zinc/18/32/38/607183238.db2.gz WOACQHYXGBGVSO-QMMMGPOBSA-N -1 0 363.765 -0.195 20 0 FBADRM CN1C(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000821621041 661084695 /nfs/dbraw/zinc/08/46/95/661084695.db2.gz FFKVUBLDOGTVNB-LLVKDONJSA-N -1 0 360.413 -0.484 20 0 FBADRM CN1CC[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1=O ZINC000821621856 606892348 /nfs/dbraw/zinc/89/23/48/606892348.db2.gz IUCQZZPTAWBRON-SECBINFHSA-N -1 0 358.330 -0.346 20 0 FBADRM CN1CC[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1=O ZINC000821621857 606892129 /nfs/dbraw/zinc/89/21/29/606892129.db2.gz IUCQZZPTAWBRON-VIFPVBQESA-N -1 0 358.330 -0.346 20 0 FBADRM CN1CC[C@@H](NC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)C1=O ZINC000821621997 606741615 /nfs/dbraw/zinc/74/16/15/606741615.db2.gz OMIGHHSIAOWNQB-SECBINFHSA-N -1 0 363.765 -0.195 20 0 FBADRM CN1CC[C@H](NC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)C1=O ZINC000821621998 606741353 /nfs/dbraw/zinc/74/13/53/606741353.db2.gz OMIGHHSIAOWNQB-VIFPVBQESA-N -1 0 363.765 -0.195 20 0 FBADRM CN1C[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1=O ZINC000821622192 606888244 /nfs/dbraw/zinc/88/82/44/606888244.db2.gz VTIBWZQBHRTTNO-SSDOTTSWSA-N -1 0 358.330 -0.346 20 0 FBADRM CN1C[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1=O ZINC000821622193 606888157 /nfs/dbraw/zinc/88/81/57/606888157.db2.gz VTIBWZQBHRTTNO-ZETCQYMHSA-N -1 0 358.330 -0.346 20 0 FBADRM CN1CCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC1=O ZINC000821625572 607183414 /nfs/dbraw/zinc/18/34/14/607183414.db2.gz QVWQQVTWLQJRNL-UHFFFAOYSA-N -1 0 363.765 -0.241 20 0 FBADRM CN1CCO[C@H](C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000821628772 606888428 /nfs/dbraw/zinc/88/84/28/606888428.db2.gz PZKDKXJKAUHCDL-SECBINFHSA-N -1 0 374.373 -0.246 20 0 FBADRM CN1CCO[C@@H](C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000821628773 606888414 /nfs/dbraw/zinc/88/84/14/606888414.db2.gz PZKDKXJKAUHCDL-VIFPVBQESA-N -1 0 374.373 -0.246 20 0 FBADRM CN1CCc2ccc(NC(=O)Cn3cnc(-c4nnn[n-]4)n3)cc2C1=O ZINC000821629962 607223528 /nfs/dbraw/zinc/22/35/28/607223528.db2.gz HLFAICYWTGQBHZ-UHFFFAOYSA-N -1 0 353.346 -0.275 20 0 FBADRM CN1CCOc2ccc(Nc3c(-c4nnn[n-]4)c(=O)n(C)c(=O)n3C)cc21 ZINC000821630336 606140626 /nfs/dbraw/zinc/14/06/26/606140626.db2.gz UXRIVEYIGNPPPU-UHFFFAOYSA-N -1 0 370.373 -0.164 20 0 FBADRM CNC(=O)[C@@H](NC(=O)Cn1cccc(-c2nnn[n-]2)c1=O)c1ccccc1 ZINC000821631983 606825161 /nfs/dbraw/zinc/82/51/61/606825161.db2.gz ZCFWCBBYHRWINV-AWEZNQCLSA-N -1 0 367.369 -0.368 20 0 FBADRM CNC(=O)[C@H](NC(=O)Cn1cccc(-c2nnn[n-]2)c1=O)c1ccccc1 ZINC000821631984 606825225 /nfs/dbraw/zinc/82/52/25/606825225.db2.gz ZCFWCBBYHRWINV-CQSZACIVSA-N -1 0 367.369 -0.368 20 0 FBADRM CNC(=O)CCOc1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1 ZINC000821632612 607214240 /nfs/dbraw/zinc/21/42/40/607214240.db2.gz AQGPWFMQXJWAGF-UHFFFAOYSA-N -1 0 371.361 -0.388 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000821633856 599232686 /nfs/dbraw/zinc/23/26/86/599232686.db2.gz HJOCQOHOBUJRBM-UHFFFAOYSA-N -1 0 363.363 -0.995 20 0 FBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821634121 607183378 /nfs/dbraw/zinc/18/33/78/607183378.db2.gz SFQGJDGFTQQRCG-ZCFIWIBFSA-N -1 0 351.754 -0.291 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)n1 ZINC000821634188 599232781 /nfs/dbraw/zinc/23/27/81/599232781.db2.gz WAMWLOLUGZQFSZ-UHFFFAOYSA-N -1 0 363.363 -0.995 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)cc1 ZINC000821635082 606708717 /nfs/dbraw/zinc/70/87/17/606708717.db2.gz LNLKVRKLFXKUDB-UHFFFAOYSA-N -1 0 362.375 -0.239 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)cn1C ZINC000821635170 606708348 /nfs/dbraw/zinc/70/83/48/606708348.db2.gz PFZZPPJYKRIQDK-UHFFFAOYSA-N -1 0 365.379 -0.901 20 0 FBADRM CNC(=O)c1cc(OC)ccc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821635192 607212684 /nfs/dbraw/zinc/21/26/84/607212684.db2.gz QOPADBNVPQGGBP-UHFFFAOYSA-N -1 0 357.334 -0.535 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cn2)cn1C ZINC000821635231 599232768 /nfs/dbraw/zinc/23/27/68/599232768.db2.gz SARKWLLPBYZQLG-UHFFFAOYSA-N -1 0 362.375 -0.239 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2ncc(-c3nn[nH]n3)s2)cn1C ZINC000821635279 661084719 /nfs/dbraw/zinc/08/47/19/661084719.db2.gz UUIBKFVMCICLAE-UHFFFAOYSA-N -1 0 368.404 -0.178 20 0 FBADRM COC(=O)[C@@H](CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)CC(C)C ZINC000821640632 599587013 /nfs/dbraw/zinc/58/70/13/599587013.db2.gz LVNYKUALISYFFI-SECBINFHSA-N -1 0 365.394 -0.489 20 0 FBADRM COC(=O)[C@H](CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)CC(C)C ZINC000821640633 599588051 /nfs/dbraw/zinc/58/80/51/599588051.db2.gz LVNYKUALISYFFI-VIFPVBQESA-N -1 0 365.394 -0.489 20 0 FBADRM COC(=O)[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccccc1F ZINC000821640990 607222806 /nfs/dbraw/zinc/22/28/06/607222806.db2.gz TXGBPBNAVNVFRJ-LLVKDONJSA-N -1 0 360.309 -0.372 20 0 FBADRM COC(=O)[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccccc1F ZINC000821640991 607223195 /nfs/dbraw/zinc/22/31/95/607223195.db2.gz TXGBPBNAVNVFRJ-NSHDSACASA-N -1 0 360.309 -0.372 20 0 FBADRM COC(=O)[C@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000821641036 607219816 /nfs/dbraw/zinc/21/98/16/607219816.db2.gz VBTYFWGFUVWXDS-LLVKDONJSA-N -1 0 356.346 -0.469 20 0 FBADRM COC(=O)[C@@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000821641037 607219577 /nfs/dbraw/zinc/21/95/77/607219577.db2.gz VBTYFWGFUVWXDS-NSHDSACASA-N -1 0 356.346 -0.469 20 0 FBADRM COC(=O)[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccc(OC)cc1 ZINC000821641044 607214179 /nfs/dbraw/zinc/21/41/79/607214179.db2.gz VGIAWTPIQUHAOC-GFCCVEGCSA-N -1 0 372.345 -0.503 20 0 FBADRM COC(=O)[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccc(OC)cc1 ZINC000821641045 607214142 /nfs/dbraw/zinc/21/41/42/607214142.db2.gz VGIAWTPIQUHAOC-LBPRGKRZSA-N -1 0 372.345 -0.503 20 0 FBADRM COC(=O)[C@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccc(C)cc1 ZINC000821641162 607215254 /nfs/dbraw/zinc/21/52/54/607215254.db2.gz XFSQWMPWKVXPQC-GFCCVEGCSA-N -1 0 370.373 -0.160 20 0 FBADRM COC(=O)[C@@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccc(C)cc1 ZINC000821641163 607215221 /nfs/dbraw/zinc/21/52/21/607215221.db2.gz XFSQWMPWKVXPQC-LBPRGKRZSA-N -1 0 370.373 -0.160 20 0 FBADRM COC(=O)[C@@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C(C)(C)C ZINC000821645074 606835290 /nfs/dbraw/zinc/83/52/90/606835290.db2.gz QFWDFBLYIOWMEG-MRVPVSSYSA-N -1 0 351.367 -0.736 20 0 FBADRM COC(=O)[C@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C(C)(C)C ZINC000821645075 661084937 /nfs/dbraw/zinc/08/49/37/661084937.db2.gz QFWDFBLYIOWMEG-QMMMGPOBSA-N -1 0 351.367 -0.736 20 0 FBADRM COC(=O)[C@@H](c1ccccc1)N(C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821651707 607218289 /nfs/dbraw/zinc/21/82/89/607218289.db2.gz DZBYOLMDBNZBNC-GFCCVEGCSA-N -1 0 356.346 -0.169 20 0 FBADRM COC(=O)[C@H](c1ccccc1)N(C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821651708 607218051 /nfs/dbraw/zinc/21/80/51/607218051.db2.gz DZBYOLMDBNZBNC-LBPRGKRZSA-N -1 0 356.346 -0.169 20 0 FBADRM COC(=O)C1(CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CCCC1 ZINC000821653760 606420862 /nfs/dbraw/zinc/42/08/62/606420862.db2.gz KDWCVCVDXHUFKV-UHFFFAOYSA-N -1 0 363.378 -0.591 20 0 FBADRM COC(=O)[C@]1([N-]S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CCOC1 ZINC000821654011 606746752 /nfs/dbraw/zinc/74/67/52/606746752.db2.gz QZIULHNHBGDKAE-AWEZNQCLSA-N -1 0 367.387 -0.382 20 0 FBADRM COC(=O)[C@@]1([N-]S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CCOC1 ZINC000821654012 606746610 /nfs/dbraw/zinc/74/66/10/606746610.db2.gz QZIULHNHBGDKAE-CQSZACIVSA-N -1 0 367.387 -0.382 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)c2ccccc21 ZINC000821655284 607217084 /nfs/dbraw/zinc/21/70/84/607217084.db2.gz IQHOPMVTZOYLFP-JTQLQIEISA-N -1 0 354.330 -0.238 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)c2ccccc21 ZINC000821655285 607216722 /nfs/dbraw/zinc/21/67/22/607216722.db2.gz IQHOPMVTZOYLFP-SNVBAGLBSA-N -1 0 354.330 -0.238 20 0 FBADRM COC(=O)C1CCN(C(=O)Cn2ccc(C)c(-c3nnn[n-]3)c2=O)CC1 ZINC000821656012 607348873 /nfs/dbraw/zinc/34/88/73/607348873.db2.gz VVIYYBYRXYXYPZ-UHFFFAOYSA-N -1 0 360.374 -0.252 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821656031 607208909 /nfs/dbraw/zinc/20/89/09/607208909.db2.gz WIEOZUATBDSEMI-AXFHLTTASA-N -1 0 360.378 -0.209 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821656032 607208861 /nfs/dbraw/zinc/20/88/61/607208861.db2.gz WIEOZUATBDSEMI-DCAQKATOSA-N -1 0 360.378 -0.209 20 0 FBADRM COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821656033 607208969 /nfs/dbraw/zinc/20/89/69/607208969.db2.gz WIEOZUATBDSEMI-MXWKQRLJSA-N -1 0 360.378 -0.209 20 0 FBADRM COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821656034 607208855 /nfs/dbraw/zinc/20/88/55/607208855.db2.gz WIEOZUATBDSEMI-VWYCJHECSA-N -1 0 360.378 -0.209 20 0 FBADRM COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821656865 606952153 /nfs/dbraw/zinc/95/21/53/606952153.db2.gz AXOREUWQVVPRRB-MRVPVSSYSA-N -1 0 353.360 -0.129 20 0 FBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821656866 606951965 /nfs/dbraw/zinc/95/19/65/606951965.db2.gz AXOREUWQVVPRRB-QMMMGPOBSA-N -1 0 353.360 -0.129 20 0 FBADRM COC(=O)C[C@@H](C)N1CCN(C(=O)c2cc(-c3nn[nH]n3)cn2C)CC1 ZINC000821656878 606293262 /nfs/dbraw/zinc/29/32/62/606293262.db2.gz BACCFUCDMUZSHS-LLVKDONJSA-N -1 0 361.406 -0.085 20 0 FBADRM COC(=O)C[C@H](C)N1CCN(C(=O)c2cc(-c3nn[nH]n3)cn2C)CC1 ZINC000821656879 606293167 /nfs/dbraw/zinc/29/31/67/606293167.db2.gz BACCFUCDMUZSHS-NSHDSACASA-N -1 0 361.406 -0.085 20 0 FBADRM COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821657321 606951926 /nfs/dbraw/zinc/95/19/26/606951926.db2.gz LZGVIBPAAVMQCY-MRVPVSSYSA-N -1 0 353.360 -0.129 20 0 FBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821657322 606952136 /nfs/dbraw/zinc/95/21/36/606952136.db2.gz LZGVIBPAAVMQCY-QMMMGPOBSA-N -1 0 353.360 -0.129 20 0 FBADRM COC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000821657344 606845052 /nfs/dbraw/zinc/84/50/52/606845052.db2.gz MJTVIZQZLDJISQ-JTQLQIEISA-N -1 0 371.350 -0.432 20 0 FBADRM COC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000821657345 606845292 /nfs/dbraw/zinc/84/52/92/606845292.db2.gz MJTVIZQZLDJISQ-SNVBAGLBSA-N -1 0 371.350 -0.432 20 0 FBADRM COC(=O)C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000821657394 607205732 /nfs/dbraw/zinc/20/57/32/607205732.db2.gz NDLURWYVNDQGPE-LLVKDONJSA-N -1 0 356.346 -0.121 20 0 FBADRM COC(=O)C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000821657395 607205751 /nfs/dbraw/zinc/20/57/51/607205751.db2.gz NDLURWYVNDQGPE-NSHDSACASA-N -1 0 356.346 -0.121 20 0 FBADRM COC(=O)[C@H]1c2ccccc2CCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821657575 607220973 /nfs/dbraw/zinc/22/09/73/607220973.db2.gz QJGFYMSUZCMMIX-CYBMUJFWSA-N -1 0 368.357 -0.243 20 0 FBADRM COC(=O)[C@@H]1c2ccccc2CCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821657576 607221033 /nfs/dbraw/zinc/22/10/33/607221033.db2.gz QJGFYMSUZCMMIX-ZDUSSCGKSA-N -1 0 368.357 -0.243 20 0 FBADRM COC(=O)C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1cccs1 ZINC000821657903 607206477 /nfs/dbraw/zinc/20/64/77/607206477.db2.gz YRQZQAVZVNEYDE-MRVPVSSYSA-N -1 0 362.375 -0.060 20 0 FBADRM COC(=O)C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1cccs1 ZINC000821657904 607206317 /nfs/dbraw/zinc/20/63/17/607206317.db2.gz YRQZQAVZVNEYDE-QMMMGPOBSA-N -1 0 362.375 -0.060 20 0 FBADRM COC(=O)CCc1csc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC000821661391 607224891 /nfs/dbraw/zinc/22/48/91/607224891.db2.gz HAJWQMWHPWPNRW-UHFFFAOYSA-N -1 0 363.363 -0.341 20 0 FBADRM COC(=O)CCN(C[C@@H]1CCCO1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821661393 607217644 /nfs/dbraw/zinc/21/76/44/607217644.db2.gz HCBCEXYWRWUAFG-JTQLQIEISA-N -1 0 364.366 -0.971 20 0 FBADRM COC(=O)CCN(C[C@H]1CCCO1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821661394 607217490 /nfs/dbraw/zinc/21/74/90/607217490.db2.gz HCBCEXYWRWUAFG-SNVBAGLBSA-N -1 0 364.366 -0.971 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000821661420 606466716 /nfs/dbraw/zinc/46/67/16/606466716.db2.gz IQOJPTIRTQEYGB-UHFFFAOYSA-N -1 0 359.389 -0.059 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000821661594 606408853 /nfs/dbraw/zinc/40/88/53/606408853.db2.gz PNYOGSQCWZBTDH-UHFFFAOYSA-N -1 0 356.364 -0.782 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000821661657 606178827 /nfs/dbraw/zinc/17/88/27/606178827.db2.gz SJXPXGIBHDVQKQ-UHFFFAOYSA-N -1 0 359.389 -0.059 20 0 FBADRM COC(=O)CCN(CC(C)C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821661691 606757231 /nfs/dbraw/zinc/75/72/31/606757231.db2.gz UUODMONXGCXSHF-UHFFFAOYSA-N -1 0 365.394 -0.710 20 0 FBADRM COC(=O)CCN(Cc1ccncc1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821661741 607222399 /nfs/dbraw/zinc/22/23/99/607222399.db2.gz WNWKPNYYWGFUMJ-UHFFFAOYSA-N -1 0 371.361 -0.555 20 0 FBADRM COC(=O)COc1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c(C)c1 ZINC000821662434 607209617 /nfs/dbraw/zinc/20/96/17/607209617.db2.gz BTDBBVQJZYTRIC-UHFFFAOYSA-N -1 0 372.345 -0.043 20 0 FBADRM COC(=O)COc1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1 ZINC000821662467 607208067 /nfs/dbraw/zinc/20/80/67/607208067.db2.gz DLHBADFEXRMGEC-UHFFFAOYSA-N -1 0 358.318 -0.351 20 0 FBADRM COC(=O)CN(Cc1ccccc1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821662513 607208939 /nfs/dbraw/zinc/20/89/39/607208939.db2.gz GFNIBISTPWITJR-UHFFFAOYSA-N -1 0 356.346 -0.340 20 0 FBADRM COC(=O)COc1cccc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000821662596 607217606 /nfs/dbraw/zinc/21/76/06/607217606.db2.gz JURLNAOOXQGZQJ-UHFFFAOYSA-N -1 0 372.345 -0.674 20 0 FBADRM COC(=O)COc1cccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000821662718 607207403 /nfs/dbraw/zinc/20/74/03/607207403.db2.gz PITVPHHEWNNONB-UHFFFAOYSA-N -1 0 358.318 -0.351 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)Cc1ccccc1-c1nn[nH]n1)C(=O)[O-] ZINC000821663589 606178549 /nfs/dbraw/zinc/17/85/49/606178549.db2.gz FKZLKKXSRPSZQS-JTQLQIEISA-N -1 0 369.359 -0.698 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ncc(-c3nn[nH]n3)s2)cn1 ZINC000821663618 607025739 /nfs/dbraw/zinc/02/57/39/607025739.db2.gz GKEAXDXOSXLPDH-UHFFFAOYSA-N -1 0 370.376 -0.507 20 0 FBADRM COC(=O)Cc1cccc(Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)c1 ZINC000821663794 606878410 /nfs/dbraw/zinc/87/84/10/606878410.db2.gz OFINFGPLBGPRHW-UHFFFAOYSA-N -1 0 371.357 -0.277 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)n1 ZINC000821663813 599232940 /nfs/dbraw/zinc/23/29/40/599232940.db2.gz OYYXTUJLWQTVHE-UHFFFAOYSA-N -1 0 364.347 -0.568 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[O-] ZINC000821663819 607206276 /nfs/dbraw/zinc/20/62/76/607206276.db2.gz PFWRYXGGZKVVHO-JTQLQIEISA-N -1 0 369.359 -0.698 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cn2)cn1 ZINC000821663857 599232707 /nfs/dbraw/zinc/23/27/07/599232707.db2.gz RALJBDJIIXBYPK-UHFFFAOYSA-N -1 0 364.347 -0.568 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000821664019 599232622 /nfs/dbraw/zinc/23/26/22/599232622.db2.gz ZEMULTHCDHPBRT-UHFFFAOYSA-N -1 0 364.347 -0.568 20 0 FBADRM COC(=O)N1CC([N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000821664699 607259525 /nfs/dbraw/zinc/25/95/25/607259525.db2.gz FOKOFNGCUSVWOP-UHFFFAOYSA-N -1 0 374.329 -0.126 20 0 FBADRM COC(=O)NCc1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1 ZINC000821664829 607217425 /nfs/dbraw/zinc/21/74/25/607217425.db2.gz KQRFEGNZCGUNDD-UHFFFAOYSA-N -1 0 357.334 -0.047 20 0 FBADRM COC(=O)Nc1ccc(CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1 ZINC000821664839 607218306 /nfs/dbraw/zinc/21/83/06/607218306.db2.gz KVSMREUACXKKJY-UHFFFAOYSA-N -1 0 371.361 -0.005 20 0 FBADRM COC(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c(SC)[nH]c2=O)C1 ZINC000821665043 607324961 /nfs/dbraw/zinc/32/49/61/607324961.db2.gz SSEQZCJAWPNPBV-UHFFFAOYSA-N -1 0 365.375 -0.130 20 0 FBADRM COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821665931 607205201 /nfs/dbraw/zinc/20/52/01/607205201.db2.gz LJDZVTQXZJJDRS-NSHDSACASA-N -1 0 356.346 -0.641 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[nH]n1 ZINC000821666761 606710464 /nfs/dbraw/zinc/71/04/64/606710464.db2.gz DDNVZSRNSVNZET-UHFFFAOYSA-N -1 0 367.351 -0.781 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ncc(-c2nn[nH]n2)s1 ZINC000821666813 661084972 /nfs/dbraw/zinc/08/49/72/661084972.db2.gz HIJJUZVESYGIRF-UHFFFAOYSA-N -1 0 370.376 -0.058 20 0 FBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(Cc2nsc(N(C)C)n2)c1 ZINC000821666818 607224944 /nfs/dbraw/zinc/22/49/44/607224944.db2.gz HOYUAXMKFMJIGN-UHFFFAOYSA-N -1 0 362.375 -0.219 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cn1 ZINC000821666825 599231505 /nfs/dbraw/zinc/23/15/05/599231505.db2.gz IEVGDQPWLFODOZ-UHFFFAOYSA-N -1 0 364.347 -0.119 20 0 FBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(Cc2cc(=O)c(OC)co2)c1 ZINC000821666958 607157251 /nfs/dbraw/zinc/15/72/51/607157251.db2.gz NPYLOTJBOHHCSD-UHFFFAOYSA-N -1 0 359.298 -0.175 20 0 FBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(CCCNC(=O)C(F)(F)F)c1 ZINC000821667096 607225003 /nfs/dbraw/zinc/22/50/03/607225003.db2.gz UNPXKQYWDQPLET-UHFFFAOYSA-N -1 0 374.279 -0.116 20 0 FBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(C[C@@H](C)CS(C)(=O)=O)c1 ZINC000821667140 606873166 /nfs/dbraw/zinc/87/31/66/606873166.db2.gz WSSXEXLSWOPICS-MRVPVSSYSA-N -1 0 355.376 -0.504 20 0 FBADRM COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(C[C@H](C)CS(C)(=O)=O)c1 ZINC000821667141 606873329 /nfs/dbraw/zinc/87/33/29/606873329.db2.gz WSSXEXLSWOPICS-QMMMGPOBSA-N -1 0 355.376 -0.504 20 0 FBADRM CON(C)S(=O)(=O)c1ccc(C(=O)N=c2nn[n-]n2C2CC2)cc1 ZINC000821667315 661085065 /nfs/dbraw/zinc/08/50/65/661085065.db2.gz FJGIRWWWYVSQFD-UHFFFAOYSA-N -1 0 352.376 -0.136 20 0 FBADRM COC(=O)c1cc(Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)cn1C ZINC000821667822 606720966 /nfs/dbraw/zinc/72/09/66/606720966.db2.gz BUGOFHOEDYJKQD-UHFFFAOYSA-N -1 0 360.334 -0.867 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)cn1C ZINC000821668117 606709042 /nfs/dbraw/zinc/70/90/42/606709042.db2.gz PJYCEBBXXGZUFI-UHFFFAOYSA-N -1 0 366.363 -0.474 20 0 FBADRM COC(=O)c1cc(OC)ccc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821668176 607213563 /nfs/dbraw/zinc/21/35/63/607213563.db2.gz TXCBSOSIZNJWDG-UHFFFAOYSA-N -1 0 358.318 -0.108 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)c[nH]1 ZINC000821668205 606709634 /nfs/dbraw/zinc/70/96/34/606709634.db2.gz UYLIOJNFPZFMKO-UHFFFAOYSA-N -1 0 352.336 -0.484 20 0 FBADRM COC(=O)c1ccc(OCCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1 ZINC000821669587 607216042 /nfs/dbraw/zinc/21/60/42/607216042.db2.gz SVZLRRZSGNSKMP-UHFFFAOYSA-N -1 0 372.345 -0.560 20 0 FBADRM COC(=O)c1ccc2c(c1)CN(C(=O)Cn1cnc(-c3nnn[n-]3)n1)C2 ZINC000821669856 607215236 /nfs/dbraw/zinc/21/52/36/607215236.db2.gz ASRXJOBMQWMPGO-UHFFFAOYSA-N -1 0 354.330 -0.213 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)o1 ZINC000821670005 606710508 /nfs/dbraw/zinc/71/05/08/606710508.db2.gz IQKNCQKTJUWHKX-UHFFFAOYSA-N -1 0 353.320 -0.219 20 0 FBADRM COC(=O)c1cccc(CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)c1 ZINC000821670118 606877254 /nfs/dbraw/zinc/87/72/54/606877254.db2.gz OCGYZKITTDXXGG-UHFFFAOYSA-N -1 0 371.357 -0.337 20 0 FBADRM COC(=O)c1ccc2c(c1)CCN2C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821670172 607236908 /nfs/dbraw/zinc/23/69/08/607236908.db2.gz QCUSURBXJDQYPV-UHFFFAOYSA-N -1 0 354.330 -0.166 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[nH]n1 ZINC000821671042 606710688 /nfs/dbraw/zinc/71/06/88/606710688.db2.gz FHAAAQGUZAEPJD-UHFFFAOYSA-N -1 0 370.376 -0.356 20 0 FBADRM COC(=O)c1n[nH]c2ccc(NC(=O)Cn3cnc(-c4nnn[n-]4)n3)cc21 ZINC000821671404 607206259 /nfs/dbraw/zinc/20/62/59/607206259.db2.gz UWQGTRJMWADXAA-UHFFFAOYSA-N -1 0 368.317 -0.240 20 0 FBADRM CO[C@@]1(C)C[C@@H](N(C)c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1(C)C ZINC000821677894 606061692 /nfs/dbraw/zinc/06/16/92/606061692.db2.gz GFQKOTVSBWORJH-ABKXIKBNSA-N -1 0 363.422 -0.096 20 0 FBADRM CO[C@@]1(C)C[C@H](N(C)c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1(C)C ZINC000821677895 606061846 /nfs/dbraw/zinc/06/18/46/606061846.db2.gz GFQKOTVSBWORJH-FVMDXXJSSA-N -1 0 363.422 -0.096 20 0 FBADRM CO[C@]1(C)C[C@@H](N(C)c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1(C)C ZINC000821677896 606061516 /nfs/dbraw/zinc/06/15/16/606061516.db2.gz GFQKOTVSBWORJH-JDNHERCYSA-N -1 0 363.422 -0.096 20 0 FBADRM CO[C@]1(C)C[C@H](N(C)c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1(C)C ZINC000821677897 606062331 /nfs/dbraw/zinc/06/23/31/606062331.db2.gz GFQKOTVSBWORJH-XXFAHNHDSA-N -1 0 363.422 -0.096 20 0 FBADRM COCC(=O)Nc1ccc(OC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1 ZINC000821680435 607158183 /nfs/dbraw/zinc/15/81/83/607158183.db2.gz JBTUNQUBGWDQGK-UHFFFAOYSA-N -1 0 358.318 -0.351 20 0 FBADRM COC[C@@H](Cc1ccccc1)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821682549 606141143 /nfs/dbraw/zinc/14/11/43/606141143.db2.gz IMXYYTXZJWXSJG-GFCCVEGCSA-N -1 0 371.401 -0.066 20 0 FBADRM COC[C@H](Cc1ccccc1)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821682550 606141168 /nfs/dbraw/zinc/14/11/68/606141168.db2.gz IMXYYTXZJWXSJG-LBPRGKRZSA-N -1 0 371.401 -0.066 20 0 FBADRM COC[C@@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)c1ccc(C)o1 ZINC000821684052 606174546 /nfs/dbraw/zinc/17/45/46/606174546.db2.gz QTBXPMHQXDEYQI-SECBINFHSA-N -1 0 361.362 -0.035 20 0 FBADRM COC[C@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)c1ccc(C)o1 ZINC000821684053 606174239 /nfs/dbraw/zinc/17/42/39/606174239.db2.gz QTBXPMHQXDEYQI-VIFPVBQESA-N -1 0 361.362 -0.035 20 0 FBADRM COCCCN(Cc1ccncc1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821687878 607215212 /nfs/dbraw/zinc/21/52/12/607215212.db2.gz TYKDHKUZEBMTMA-UHFFFAOYSA-N -1 0 357.378 -0.082 20 0 FBADRM COCCCn1ccc(Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)n1 ZINC000821688220 599579023 /nfs/dbraw/zinc/57/90/23/599579023.db2.gz CPADUNHHHRJDLD-UHFFFAOYSA-N -1 0 361.366 -0.759 20 0 FBADRM COCCN(CC(=O)OC(C)(C)C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821688887 607214637 /nfs/dbraw/zinc/21/46/37/607214637.db2.gz AUMMWBAKZWDQDX-UHFFFAOYSA-N -1 0 366.382 -0.725 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821688942 606840826 /nfs/dbraw/zinc/84/08/26/606840826.db2.gz DWLQQVOYMJBMDO-UHFFFAOYSA-N -1 0 354.392 -0.652 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC000821689047 606840885 /nfs/dbraw/zinc/84/08/85/606840885.db2.gz IWRKHNWFOHUILE-UHFFFAOYSA-N -1 0 370.391 -0.815 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCc1ccc(-c2nn[nH]n2)cc1 ZINC000821689169 606840943 /nfs/dbraw/zinc/84/09/43/606840943.db2.gz NVKGKFWUJCCVQO-UHFFFAOYSA-N -1 0 368.419 -0.262 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)COc1ccccc1-c1nn[nH]n1 ZINC000821689274 606840723 /nfs/dbraw/zinc/84/07/23/606840723.db2.gz UDXGBVCWGCDBRJ-UHFFFAOYSA-N -1 0 370.391 -0.815 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)COc1ccc(-c2nn[nH]n2)cc1OC ZINC000821689284 607103130 /nfs/dbraw/zinc/10/31/30/607103130.db2.gz UTIUDCKIJBHOTL-UHFFFAOYSA-N -1 0 365.346 -0.186 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000821689304 606840981 /nfs/dbraw/zinc/84/09/81/606840981.db2.gz VQZKQHBSMQBNGC-BQYQJAHWSA-N -1 0 366.403 -0.181 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000821689305 606840915 /nfs/dbraw/zinc/84/09/15/606840915.db2.gz VQZKQHBSMQBNGC-FPLPWBNLSA-N -1 0 366.403 -0.181 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821689421 606840782 /nfs/dbraw/zinc/84/07/82/606840782.db2.gz ZWEFJTMNUQIUBG-UHFFFAOYSA-N -1 0 370.391 -0.815 20 0 FBADRM COCCN(Cc1ccco1)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821690400 607114691 /nfs/dbraw/zinc/11/46/91/607114691.db2.gz KANKWBOQAQWUDF-UHFFFAOYSA-N -1 0 361.362 -0.490 20 0 FBADRM COCCN(Cc1cccnc1)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821690409 606830178 /nfs/dbraw/zinc/83/01/78/606830178.db2.gz KOWOBCBJGWFYBU-UHFFFAOYSA-N -1 0 372.389 -0.688 20 0 FBADRM COCCN(Cc1ccccc1)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821690481 607305624 /nfs/dbraw/zinc/30/56/24/607305624.db2.gz NFFLCJPOBZOUSM-UHFFFAOYSA-N -1 0 371.401 -0.083 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821692779 607158117 /nfs/dbraw/zinc/15/81/17/607158117.db2.gz BOSRZEUIFKENQP-UHFFFAOYSA-N -1 0 369.403 -0.482 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1sccc1-c1nn[nH]n1 ZINC000821692799 607158043 /nfs/dbraw/zinc/15/80/43/607158043.db2.gz CKWIUTLVXDCDLE-UHFFFAOYSA-N -1 0 361.405 -0.349 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000821692853 607158221 /nfs/dbraw/zinc/15/82/21/607158221.db2.gz GCBRHKSMMYLETF-UHFFFAOYSA-N -1 0 361.405 -0.349 20 0 FBADRM COCCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821692960 607055018 /nfs/dbraw/zinc/05/50/18/607055018.db2.gz LEJRBEQNZAQNAN-SECBINFHSA-N -1 0 370.391 -0.772 20 0 FBADRM COCCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821692961 607055334 /nfs/dbraw/zinc/05/53/34/607055334.db2.gz LEJRBEQNZAQNAN-VIFPVBQESA-N -1 0 370.391 -0.772 20 0 FBADRM COCCO[N-]C(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821692988 606367718 /nfs/dbraw/zinc/36/77/18/606367718.db2.gz MNSHNNVHFQXWKS-UHFFFAOYSA-N -1 0 355.376 -0.524 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821692989 607157785 /nfs/dbraw/zinc/15/77/85/607157785.db2.gz MNXKGBIOCSLNTA-UHFFFAOYSA-N -1 0 355.376 -0.411 20 0 FBADRM COCCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821693035 607054974 /nfs/dbraw/zinc/05/49/74/607054974.db2.gz ONJYCKAHTUTTEI-SECBINFHSA-N -1 0 370.391 -0.772 20 0 FBADRM COCCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821693036 607055311 /nfs/dbraw/zinc/05/53/11/607055311.db2.gz ONJYCKAHTUTTEI-VIFPVBQESA-N -1 0 370.391 -0.772 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000821693263 607158212 /nfs/dbraw/zinc/15/82/12/607158212.db2.gz ZJDLDSXQSUZNSB-UHFFFAOYSA-N -1 0 361.405 -0.349 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821693277 607158174 /nfs/dbraw/zinc/15/81/74/607158174.db2.gz ZWEYMNCUNFFCEL-UHFFFAOYSA-N -1 0 355.376 -0.411 20 0 FBADRM COCCOc1ccccc1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821693560 607209678 /nfs/dbraw/zinc/20/96/78/607209678.db2.gz DKUZWZHVKZZJDP-UHFFFAOYSA-N -1 0 358.362 -0.200 20 0 FBADRM COCCOc1ccc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)cn1 ZINC000821693802 607208160 /nfs/dbraw/zinc/20/81/60/607208160.db2.gz OBSMMETVMJQYKV-UHFFFAOYSA-N -1 0 359.350 -0.805 20 0 FBADRM COCCS(=O)(=O)[N-]c1ncn(Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000821694312 606605295 /nfs/dbraw/zinc/60/52/95/606605295.db2.gz HROWUMDHEDZCSJ-UHFFFAOYSA-N -1 0 364.391 -0.105 20 0 FBADRM COCCOc1ncccc1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821694326 607211542 /nfs/dbraw/zinc/21/15/42/607211542.db2.gz ILQCJHZILUQXSI-UHFFFAOYSA-N -1 0 359.350 -0.805 20 0 FBADRM COCCc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)n(C)n1 ZINC000821694338 607122548 /nfs/dbraw/zinc/12/25/48/607122548.db2.gz IVALFKLJPMFSCP-UHFFFAOYSA-N -1 0 364.391 -0.015 20 0 FBADRM CON(C)C(=O)c1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1 ZINC000821696891 607213483 /nfs/dbraw/zinc/21/34/83/607213483.db2.gz TUOSKTBAQFBOEB-UHFFFAOYSA-N -1 0 357.334 -0.270 20 0 FBADRM COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000821700717 607110155 /nfs/dbraw/zinc/11/01/55/607110155.db2.gz VRDGHLCGONUOMR-GFCCVEGCSA-N -1 0 363.330 -0.434 20 0 FBADRM COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000821700718 607110170 /nfs/dbraw/zinc/11/01/70/607110170.db2.gz VRDGHLCGONUOMR-LBPRGKRZSA-N -1 0 363.330 -0.434 20 0 FBADRM COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000821700826 607108980 /nfs/dbraw/zinc/10/89/80/607108980.db2.gz ZMPKEPUUDWIPCL-JTQLQIEISA-N -1 0 363.330 -0.434 20 0 FBADRM COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000821700827 607108746 /nfs/dbraw/zinc/10/87/46/607108746.db2.gz ZMPKEPUUDWIPCL-SNVBAGLBSA-N -1 0 363.330 -0.434 20 0 FBADRM CN1C[C@H](NC(=O)c2cnc(I)c([O-])c2)C(=O)N1 ZINC000821713125 661084926 /nfs/dbraw/zinc/08/49/26/661084926.db2.gz XHOAZQUVLZVCKN-LURJTMIESA-N -1 0 362.127 -0.533 20 0 FBADRM CN1C[C@@H](NC(=O)c2cnc(I)c([O-])c2)C(=O)N1 ZINC000821713130 661085053 /nfs/dbraw/zinc/08/50/53/661085053.db2.gz XHOAZQUVLZVCKN-ZCFIWIBFSA-N -1 0 362.127 -0.533 20 0 FBADRM COc1cc(OC)cc([C@H](O)CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000821723489 607223914 /nfs/dbraw/zinc/22/39/14/607223914.db2.gz BCQXNKSMEDLOFZ-GFCCVEGCSA-N -1 0 374.361 -0.675 20 0 FBADRM COc1cc(OC)cc([C@@H](O)CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000821723490 607223661 /nfs/dbraw/zinc/22/36/61/607223661.db2.gz BCQXNKSMEDLOFZ-LBPRGKRZSA-N -1 0 374.361 -0.675 20 0 FBADRM COc1cc2nc(NC(=O)Cn3cnc(-c4nnn[n-]4)n3)[nH]c2cc1OC ZINC000821727338 607216774 /nfs/dbraw/zinc/21/67/74/607216774.db2.gz IAKBCLBLUKQTPP-UHFFFAOYSA-N -1 0 370.333 -0.010 20 0 FBADRM COc1cc(OC)cc(OCCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000821728568 607224258 /nfs/dbraw/zinc/22/42/58/607224258.db2.gz WUQWJBUCXQRPBH-UHFFFAOYSA-N -1 0 374.361 -0.329 20 0 FBADRM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCc1[nH]c(O)nc1O ZINC000821741255 607411710 /nfs/dbraw/zinc/41/17/10/607411710.db2.gz JSRXEQKMOABIJS-JTQLQIEISA-N -1 0 360.330 -0.093 20 0 FBADRM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCc1[nH]c(O)nc1O ZINC000821741258 607411722 /nfs/dbraw/zinc/41/17/22/607411722.db2.gz JSRXEQKMOABIJS-SNVBAGLBSA-N -1 0 360.330 -0.093 20 0 FBADRM CS(=O)(=O)N1CCCc2cc(C(=O)NCC(=O)NCC(=O)[O-])ccc21 ZINC000821743359 661085331 /nfs/dbraw/zinc/08/53/31/661085331.db2.gz AGBJVMNYRNEBGS-UHFFFAOYSA-N -1 0 369.399 -0.671 20 0 FBADRM C[C@@H]1Cc2cc(C(=O)NCC(=O)NCC(=O)[O-])ccc2N1S(C)(=O)=O ZINC000821743840 661085314 /nfs/dbraw/zinc/08/53/14/661085314.db2.gz HHBVRYJPPWCQCA-SECBINFHSA-N -1 0 369.399 -0.672 20 0 FBADRM C[C@H]1Cc2cc(C(=O)NCC(=O)NCC(=O)[O-])ccc2N1S(C)(=O)=O ZINC000821743844 661085375 /nfs/dbraw/zinc/08/53/75/661085375.db2.gz HHBVRYJPPWCQCA-VIFPVBQESA-N -1 0 369.399 -0.672 20 0 FBADRM O=C([O-])CNC(=O)CNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000821743903 661085649 /nfs/dbraw/zinc/08/56/49/661085649.db2.gz HZOFXULSKGQBGS-UHFFFAOYSA-N -1 0 355.372 -0.942 20 0 FBADRM CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000821747996 661085515 /nfs/dbraw/zinc/08/55/15/661085515.db2.gz BAVAZLIZKHISAD-JTQLQIEISA-N -1 0 371.415 -0.306 20 0 FBADRM CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000821748000 661085501 /nfs/dbraw/zinc/08/55/01/661085501.db2.gz BAVAZLIZKHISAD-SNVBAGLBSA-N -1 0 371.415 -0.306 20 0 FBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000821748081 661085611 /nfs/dbraw/zinc/08/56/11/661085611.db2.gz HQVPDBDXMOCOSW-UHFFFAOYSA-N -1 0 355.372 -0.942 20 0 FBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)Cc1ccc2c(c1)COC2 ZINC000821764574 661085812 /nfs/dbraw/zinc/08/58/12/661085812.db2.gz CGPNPEVACQKOBQ-UHFFFAOYSA-N -1 0 354.384 -0.478 20 0 FBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)Cc2ccc3c(c2)COC3)c1=O ZINC000821764878 661085721 /nfs/dbraw/zinc/08/57/21/661085721.db2.gz OXZSXTYXVAKOKO-UHFFFAOYSA-N -1 0 366.399 -0.352 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1ccc2c(c1)COC2 ZINC000821770671 661085875 /nfs/dbraw/zinc/08/58/75/661085875.db2.gz RVCWEOBRPYIOGP-UHFFFAOYSA-N -1 0 356.400 -0.232 20 0 FBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)Cc2ccc3c(c2)COC3)c1=O ZINC000821770687 661085818 /nfs/dbraw/zinc/08/58/18/661085818.db2.gz RZBYSZOJCYOHSB-UHFFFAOYSA-N -1 0 352.372 -0.742 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccc3c(c2)COC3)c(=O)[nH]c1=O ZINC000821774341 661086164 /nfs/dbraw/zinc/08/61/64/661086164.db2.gz MRJQNHWUGFGQIZ-UHFFFAOYSA-N -1 0 365.367 -0.224 20 0 FBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)Cc1ccc2c(c1)COC2 ZINC000821774914 661086220 /nfs/dbraw/zinc/08/62/20/661086220.db2.gz SBQRHNHWBGKYQL-UHFFFAOYSA-N -1 0 374.440 -0.302 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)Cc1ccc2c(c1)COC2)S(C)(=O)=O ZINC000821775330 661086065 /nfs/dbraw/zinc/08/60/65/661086065.db2.gz WRFNTTBBYZGJPC-UHFFFAOYSA-N -1 0 362.429 -0.446 20 0 FBADRM COc1ccc(CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c(OC)c1 ZINC000821789903 607211275 /nfs/dbraw/zinc/21/12/75/607211275.db2.gz BNFJWLBHPTWTJB-UHFFFAOYSA-N -1 0 358.362 -0.166 20 0 FBADRM COc1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1-n1cnnn1 ZINC000821831931 607219652 /nfs/dbraw/zinc/21/96/52/607219652.db2.gz SWNKOQLVBUPHJF-UHFFFAOYSA-N -1 0 368.321 -0.919 20 0 FBADRM COc1ccc(OC)c(CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000821842566 607210735 /nfs/dbraw/zinc/21/07/35/607210735.db2.gz RXLMFFUCNBRDFJ-UHFFFAOYSA-N -1 0 358.362 -0.166 20 0 FBADRM COc1ccc(OC)c([C@H](O)CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000821843059 607223747 /nfs/dbraw/zinc/22/37/47/607223747.db2.gz YFVLFDLOAXDESO-LLVKDONJSA-N -1 0 374.361 -0.675 20 0 FBADRM COc1ccc(OC)c([C@@H](O)CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000821843062 607223642 /nfs/dbraw/zinc/22/36/42/607223642.db2.gz YFVLFDLOAXDESO-NSHDSACASA-N -1 0 374.361 -0.675 20 0 FBADRM COc1cccc(C(=O)NCCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000821860203 607206471 /nfs/dbraw/zinc/20/64/71/607206471.db2.gz YNVQHKYKSQBCEQ-UHFFFAOYSA-N -1 0 371.361 -0.987 20 0 FBADRM COc1cccc([C@@H](CO)Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)c1 ZINC000821863449 599582636 /nfs/dbraw/zinc/58/26/36/599582636.db2.gz KLQYCLDORSPEDP-LLVKDONJSA-N -1 0 373.373 -0.582 20 0 FBADRM COc1cccc([C@H](CO)Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)c1 ZINC000821863450 599582685 /nfs/dbraw/zinc/58/26/85/599582685.db2.gz KLQYCLDORSPEDP-NSHDSACASA-N -1 0 373.373 -0.582 20 0 FBADRM COc1cccc(CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1OC ZINC000821867292 607208951 /nfs/dbraw/zinc/20/89/51/607208951.db2.gz AYGRJISAGHSTSM-UHFFFAOYSA-N -1 0 358.362 -0.166 20 0 FBADRM COc1cccc(CCNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)n1 ZINC000821868057 606633373 /nfs/dbraw/zinc/63/33/73/606633373.db2.gz NWJDMCPCBMNQSI-UHFFFAOYSA-N -1 0 358.362 -0.678 20 0 FBADRM COc1cccc(N2CC[C@@H](NC(=O)Cn3cnc(-c4nnn[n-]4)n3)C2)c1 ZINC000821871794 607213447 /nfs/dbraw/zinc/21/34/47/607213447.db2.gz DRTCGVOPFNREEE-LLVKDONJSA-N -1 0 369.389 -0.138 20 0 FBADRM COc1cccc(N2CC[C@H](NC(=O)Cn3cnc(-c4nnn[n-]4)n3)C2)c1 ZINC000821871796 607213492 /nfs/dbraw/zinc/21/34/92/607213492.db2.gz DRTCGVOPFNREEE-NSHDSACASA-N -1 0 369.389 -0.138 20 0 FBADRM COc1cccc(N2CCN(C(=O)Cn3cnc(-c4nnn[n-]4)n3)CC2)c1 ZINC000821873573 607205125 /nfs/dbraw/zinc/20/51/25/607205125.db2.gz VOMMOESVJHTUMF-UHFFFAOYSA-N -1 0 369.389 -0.184 20 0 FBADRM COc1cccc2c1OC[C@@H](NC(=O)Cn1cnc(-c3nnn[n-]3)n1)C2 ZINC000821877305 607214503 /nfs/dbraw/zinc/21/45/03/607214503.db2.gz HBWXPZZOWYTZRK-JTQLQIEISA-N -1 0 356.346 -0.413 20 0 FBADRM COc1cccc2c1OC[C@H](NC(=O)Cn1cnc(-c3nnn[n-]3)n1)C2 ZINC000821877306 607214374 /nfs/dbraw/zinc/21/43/74/607214374.db2.gz HBWXPZZOWYTZRK-SNVBAGLBSA-N -1 0 356.346 -0.413 20 0 FBADRM COc1ccccc1N1CC[C@@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000821898904 607223299 /nfs/dbraw/zinc/22/32/99/607223299.db2.gz UAQFZSFSSXUOIF-LLVKDONJSA-N -1 0 369.389 -0.138 20 0 FBADRM COc1ccccc1N1CC[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000821898907 607223112 /nfs/dbraw/zinc/22/31/12/607223112.db2.gz UAQFZSFSSXUOIF-NSHDSACASA-N -1 0 369.389 -0.138 20 0 FBADRM CS(=O)(=O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821927428 606886539 /nfs/dbraw/zinc/88/65/39/606886539.db2.gz WJNHJWNTXQYQHB-UHFFFAOYSA-N -1 0 367.359 -0.532 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)s1 ZINC000821937492 606259379 /nfs/dbraw/zinc/25/93/79/606259379.db2.gz NHSIWNPSIALPEA-UHFFFAOYSA-N -1 0 355.365 -0.330 20 0 FBADRM C[S@](=O)C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000821941350 607219677 /nfs/dbraw/zinc/21/96/77/607219677.db2.gz FEGWTEISTGMDTE-FTJNGKRUSA-N -1 0 360.403 -0.306 20 0 FBADRM C[S@@](=O)C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000821941353 607219623 /nfs/dbraw/zinc/21/96/23/607219623.db2.gz FEGWTEISTGMDTE-JPQMIFPKSA-N -1 0 360.403 -0.306 20 0 FBADRM C[S@](=O)C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000821941356 607219571 /nfs/dbraw/zinc/21/95/71/607219571.db2.gz FEGWTEISTGMDTE-NDHGSNPTSA-N -1 0 360.403 -0.306 20 0 FBADRM C[S@@](=O)C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000821941357 607219810 /nfs/dbraw/zinc/21/98/10/607219810.db2.gz FEGWTEISTGMDTE-SSINHNECSA-N -1 0 360.403 -0.306 20 0 FBADRM C[S@](=O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821943128 606892194 /nfs/dbraw/zinc/89/21/94/606892194.db2.gz SXOWGKMBRJYMKD-NRFANRHFSA-N -1 0 351.360 -0.198 20 0 FBADRM C[S@@](=O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821943144 606892490 /nfs/dbraw/zinc/89/24/90/606892490.db2.gz SXOWGKMBRJYMKD-OAQYLSRUSA-N -1 0 351.360 -0.198 20 0 FBADRM CSC1(CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CCOCC1 ZINC000821950333 599052985 /nfs/dbraw/zinc/05/29/85/599052985.db2.gz MOLHIQYVWPXNQE-UHFFFAOYSA-N -1 0 367.435 -0.412 20 0 FBADRM CS[C@@H]1CCCCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000821956620 607386196 /nfs/dbraw/zinc/38/61/96/607386196.db2.gz TUERPWFNFJZSQA-SECBINFHSA-N -1 0 351.436 -0.014 20 0 FBADRM CS[C@H]1CCCCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000821956621 607386399 /nfs/dbraw/zinc/38/63/99/607386399.db2.gz TUERPWFNFJZSQA-VIFPVBQESA-N -1 0 351.436 -0.014 20 0 FBADRM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O)c(F)c1 ZINC000821975934 661087804 /nfs/dbraw/zinc/08/78/04/661087804.db2.gz OQGVKAXZYIXLDN-UHFFFAOYSA-N -1 0 356.372 -0.030 20 0 FBADRM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(=O)N(C)C ZINC000821994733 606896130 /nfs/dbraw/zinc/89/61/30/606896130.db2.gz IRAMLTQGEGYRTM-ZCFIWIBFSA-N -1 0 360.346 -0.100 20 0 FBADRM C[C@H](c1ccccc1)N(CC(N)=O)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000822000275 607223065 /nfs/dbraw/zinc/22/30/65/607223065.db2.gz DWUNNOGMYYQPKP-SNVBAGLBSA-N -1 0 355.362 -0.467 20 0 FBADRM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)NCC(=O)NC1CC1 ZINC000822005379 607325365 /nfs/dbraw/zinc/32/53/65/607325365.db2.gz QOVKIUPBQPJHLY-UHFFFAOYSA-N -1 0 359.390 -0.088 20 0 FBADRM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000822005840 606688539 /nfs/dbraw/zinc/68/85/39/606688539.db2.gz UKVCTFNFVSWLQT-PHIMTYICSA-N -1 0 362.390 -0.529 20 0 FBADRM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)NCCn1ncnn1 ZINC000822006011 606774162 /nfs/dbraw/zinc/77/41/62/606774162.db2.gz XECAKSRSJRORIH-UHFFFAOYSA-N -1 0 358.366 -0.680 20 0 FBADRM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)Nc1cc(C(N)=O)[nH]n1 ZINC000822010165 607187704 /nfs/dbraw/zinc/18/77/04/607187704.db2.gz QKWMGKRBDOPBJP-UHFFFAOYSA-N -1 0 371.361 -0.023 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[nH]n2)nnn1C ZINC000822020489 599620138 /nfs/dbraw/zinc/62/01/38/599620138.db2.gz DITLNTQNVWFWRD-UHFFFAOYSA-N -1 0 362.375 -0.437 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)nnn1C ZINC000822020555 599620117 /nfs/dbraw/zinc/62/01/17/599620117.db2.gz DREZACRUSZUYPF-UHFFFAOYSA-N -1 0 362.375 -0.437 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)nnn1C ZINC000822021027 599621612 /nfs/dbraw/zinc/62/16/12/599621612.db2.gz SITWJGQHGGTNTA-UHFFFAOYSA-N -1 0 362.375 -0.437 20 0 FBADRM O=C(c1cnc(I)c([O-])c1)N1C[C@H](O)C[C@H]1CO ZINC000822081199 661088239 /nfs/dbraw/zinc/08/82/39/661088239.db2.gz CVZUIZXFJNMEDD-JGVFFNPUSA-N -1 0 364.139 -0.041 20 0 FBADRM O=C(c1cnc(I)c([O-])c1)N1C[C@@H](O)C[C@H]1CO ZINC000822086725 661088343 /nfs/dbraw/zinc/08/83/43/661088343.db2.gz CVZUIZXFJNMEDD-YUMQZZPRSA-N -1 0 364.139 -0.041 20 0 FBADRM Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3cccc(-c4nn[nH]n4)c3)nc2n1 ZINC000822162078 606392759 /nfs/dbraw/zinc/39/27/59/606392759.db2.gz XNZDMMGGGSBHSJ-UHFFFAOYSA-N -1 0 373.358 -0.293 20 0 FBADRM Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)nc2n1 ZINC000822162215 606392821 /nfs/dbraw/zinc/39/28/21/606392821.db2.gz ZBVGQIRVSBDZOY-UHFFFAOYSA-N -1 0 373.358 -0.293 20 0 FBADRM Cc1cc(C)n(C[C@H]2CN(C(=O)Cn3cnc(-c4nnn[n-]4)n3)CCO2)n1 ZINC000822198798 607216130 /nfs/dbraw/zinc/21/61/30/607216130.db2.gz KQIDIPMQKFWUGC-GFCCVEGCSA-N -1 0 372.393 -0.801 20 0 FBADRM Cc1cc(C)n(C[C@@H]2CN(C(=O)Cn3cnc(-c4nnn[n-]4)n3)CCO2)n1 ZINC000822198799 607215979 /nfs/dbraw/zinc/21/59/79/607215979.db2.gz KQIDIPMQKFWUGC-LBPRGKRZSA-N -1 0 372.393 -0.801 20 0 FBADRM Cc1cc(CN2CCN(C(=O)Cn3cnc(-c4nnn[n-]4)n3)CC2)on1 ZINC000822199980 607205735 /nfs/dbraw/zinc/20/57/35/607205735.db2.gz PJEVMDQJGMBCLM-UHFFFAOYSA-N -1 0 358.366 -0.901 20 0 FBADRM Cc1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)ccc1-n1cnnn1 ZINC000822208380 607206710 /nfs/dbraw/zinc/20/67/10/607206710.db2.gz PFPCLKICYJKYDY-UHFFFAOYSA-N -1 0 352.322 -0.619 20 0 FBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCNC(=O)C1 ZINC000822222298 606761554 /nfs/dbraw/zinc/76/15/54/606761554.db2.gz BVURACJSMGQHSF-JTQLQIEISA-N -1 0 364.387 -0.494 20 0 FBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCNC(=O)C1 ZINC000822222299 606761413 /nfs/dbraw/zinc/76/14/13/606761413.db2.gz BVURACJSMGQHSF-SNVBAGLBSA-N -1 0 364.387 -0.494 20 0 FBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)CCc1nnc[nH]1 ZINC000822222758 607130125 /nfs/dbraw/zinc/13/01/25/607130125.db2.gz SGGPUCPJHGTGBE-UHFFFAOYSA-N -1 0 362.375 -0.269 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)nnn1C ZINC000822224053 599624813 /nfs/dbraw/zinc/62/48/13/599624813.db2.gz UMWYRVUQQWXIHG-UHFFFAOYSA-N -1 0 362.375 -0.269 20 0 FBADRM Cc1ccc(-n2[n-]nnc2=NCCCc2[nH]nc(N)c2-c2nn[nH]n2)cc1 ZINC000822225085 606441979 /nfs/dbraw/zinc/44/19/79/606441979.db2.gz NMKBEMZZHDFSHF-UHFFFAOYSA-N -1 0 366.393 -0.077 20 0 FBADRM Cc1ccc(C(=O)NCCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1 ZINC000822226485 607209584 /nfs/dbraw/zinc/20/95/84/607209584.db2.gz UVWKMPGYSWGRPT-UHFFFAOYSA-N -1 0 355.362 -0.687 20 0 FBADRM Cc1ccc(C(=O)NCCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1F ZINC000822226510 607206660 /nfs/dbraw/zinc/20/66/60/607206660.db2.gz VYTQHNODSLXPAB-UHFFFAOYSA-N -1 0 373.352 -0.548 20 0 FBADRM Cc1ccc([C@@H]2COCCN2c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)o1 ZINC000822233907 606476287 /nfs/dbraw/zinc/47/62/87/606476287.db2.gz XNZIGYONZIKEQM-JTQLQIEISA-N -1 0 373.373 -0.257 20 0 FBADRM Cc1ccc([C@H]2COCCN2c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)o1 ZINC000822233908 606476253 /nfs/dbraw/zinc/47/62/53/606476253.db2.gz XNZIGYONZIKEQM-SNVBAGLBSA-N -1 0 373.373 -0.257 20 0 FBADRM Cc1ccc(N2CCC[C@@H](NC(=O)Cn3cnc(-c4nnn[n-]4)n3)C2)nn1 ZINC000822240970 607218438 /nfs/dbraw/zinc/21/84/38/607218438.db2.gz HDFVZAGRMRHQTB-LLVKDONJSA-N -1 0 369.393 -0.658 20 0 FBADRM Cc1ccc(N2CCC[C@H](NC(=O)Cn3cnc(-c4nnn[n-]4)n3)C2)nn1 ZINC000822240971 607218578 /nfs/dbraw/zinc/21/85/78/607218578.db2.gz HDFVZAGRMRHQTB-NSHDSACASA-N -1 0 369.393 -0.658 20 0 FBADRM Cc1ccc(N2CC[C@@H](NC(=O)Cn3cnc(-c4nnn[n-]4)n3)C2=O)cc1 ZINC000822241374 607219718 /nfs/dbraw/zinc/21/97/18/607219718.db2.gz UAJRADYYSREEBQ-GFCCVEGCSA-N -1 0 367.373 -0.312 20 0 FBADRM Cc1ccc(N2CC[C@H](NC(=O)Cn3cnc(-c4nnn[n-]4)n3)C2=O)cc1 ZINC000822241375 607219553 /nfs/dbraw/zinc/21/95/53/607219553.db2.gz UAJRADYYSREEBQ-LBPRGKRZSA-N -1 0 367.373 -0.312 20 0 FBADRM Cc1ccc(N2CCCN(C(=O)Cn3cnc(-c4nnn[n-]4)n3)CC2)nn1 ZINC000822242618 607215341 /nfs/dbraw/zinc/21/53/41/607215341.db2.gz RJTQXRBHTORTOS-UHFFFAOYSA-N -1 0 369.393 -0.704 20 0 FBADRM Cc1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1-n1cnnn1 ZINC000822248743 607207361 /nfs/dbraw/zinc/20/73/61/607207361.db2.gz LYBSCZLYZZVMTF-UHFFFAOYSA-N -1 0 352.322 -0.619 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)cc1C(N)=O ZINC000822267287 606709121 /nfs/dbraw/zinc/70/91/21/606709121.db2.gz QXOWWUGJEKXFEA-UHFFFAOYSA-N -1 0 362.375 -0.192 20 0 FBADRM Cc1cccc(C(=O)NCCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000822284316 607209507 /nfs/dbraw/zinc/20/95/07/607209507.db2.gz ONELJHXUNGNZFS-UHFFFAOYSA-N -1 0 355.362 -0.687 20 0 FBADRM Cc1cccc([C@H](O)CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)c1 ZINC000822288857 607127683 /nfs/dbraw/zinc/12/76/83/607127683.db2.gz LHFFGXHDDCNNAB-LLVKDONJSA-N -1 0 357.374 -0.282 20 0 FBADRM Cc1cccc([C@@H](O)CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)c1 ZINC000822288858 607127589 /nfs/dbraw/zinc/12/75/89/607127589.db2.gz LHFFGXHDDCNNAB-NSHDSACASA-N -1 0 357.374 -0.282 20 0 FBADRM Cc1cccc(C)c1OC[C@H](O)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000822293987 607224388 /nfs/dbraw/zinc/22/43/88/607224388.db2.gz RZQHRDLGOBZPPF-GFCCVEGCSA-N -1 0 372.389 -0.369 20 0 FBADRM Cc1cccc(C)c1OC[C@@H](O)CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000822293993 607224482 /nfs/dbraw/zinc/22/44/82/607224482.db2.gz RZQHRDLGOBZPPF-LBPRGKRZSA-N -1 0 372.389 -0.369 20 0 FBADRM Cc1cccc(OC[C@H](O)CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000822329113 607222264 /nfs/dbraw/zinc/22/22/64/607222264.db2.gz YLQRIRCYEKWOHJ-LLVKDONJSA-N -1 0 358.362 -0.677 20 0 FBADRM Cc1cccc(OC[C@@H](O)CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000822329114 607222237 /nfs/dbraw/zinc/22/22/37/607222237.db2.gz YLQRIRCYEKWOHJ-NSHDSACASA-N -1 0 358.362 -0.677 20 0 FBADRM Cc1cccc2nc(CNC(=O)Cn3cnc(-c4nnn[n-]4)n3)n(C)c21 ZINC000822340925 607359041 /nfs/dbraw/zinc/35/90/41/607359041.db2.gz NKPOGFRYRJQEAM-UHFFFAOYSA-N -1 0 352.362 -0.030 20 0 FBADRM Cc1ccccc1[C@@H](CO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000822350737 606139243 /nfs/dbraw/zinc/13/92/43/606139243.db2.gz GMNGWSGJRNSAGY-LLVKDONJSA-N -1 0 357.374 -0.282 20 0 FBADRM Cc1ccccc1[C@H](CO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000822350739 606139496 /nfs/dbraw/zinc/13/94/96/606139496.db2.gz GMNGWSGJRNSAGY-NSHDSACASA-N -1 0 357.374 -0.282 20 0 FBADRM Cc1cccn2cc(CCNC(=O)Cn3cnc(-c4nnn[n-]4)n3)nc12 ZINC000822366853 607221240 /nfs/dbraw/zinc/22/12/40/607221240.db2.gz WCTVVPYDSFUMFW-UHFFFAOYSA-N -1 0 352.362 -0.227 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CC1CCN(CC(F)F)CC1 ZINC000822370681 661089701 /nfs/dbraw/zinc/08/97/01/661089701.db2.gz NWEJTASXJVULFT-UHFFFAOYSA-N -1 0 355.407 -0.064 20 0 FBADRM Cc1ccnc(N2CCN(C(=O)Cn3cnc(-c4nnn[n-]4)n3)CC2)c1 ZINC000822374066 607224394 /nfs/dbraw/zinc/22/43/94/607224394.db2.gz JRVSCXAZBNGNPG-UHFFFAOYSA-N -1 0 354.378 -0.490 20 0 FBADRM Cc1ccnc(NC(=O)CN(C)C(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000822374254 607212811 /nfs/dbraw/zinc/21/28/11/607212811.db2.gz NURMHNRFTIEKMN-UHFFFAOYSA-N -1 0 356.350 -0.741 20 0 FBADRM Cc1ccsc1[C@@H](CO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000822379197 606426037 /nfs/dbraw/zinc/42/60/37/606426037.db2.gz LZIIUBKFHPUQHX-MRVPVSSYSA-N -1 0 363.403 -0.220 20 0 FBADRM Cc1ccsc1[C@H](CO)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000822379203 606426021 /nfs/dbraw/zinc/42/60/21/606426021.db2.gz LZIIUBKFHPUQHX-QMMMGPOBSA-N -1 0 363.403 -0.220 20 0 FBADRM Cc1ccoc1C(=O)NCCCNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000822379924 607219028 /nfs/dbraw/zinc/21/90/28/607219028.db2.gz VTFVCFCPHKTXPV-UHFFFAOYSA-N -1 0 359.350 -0.704 20 0 FBADRM Cc1cnc(N2CCN(C(=O)Cn3cnc(-c4nnn[n-]4)n3)CC2)s1 ZINC000822394561 607217550 /nfs/dbraw/zinc/21/75/50/607217550.db2.gz CYSUPEIDDRYLEU-UHFFFAOYSA-N -1 0 360.407 -0.428 20 0 FBADRM Cc1cnn(CC2CCN(C(=O)Cn3cnc(-c4nnn[n-]4)n3)CC2)c1 ZINC000822403707 607220336 /nfs/dbraw/zinc/22/03/36/607220336.db2.gz SEMHRNDKYLCFNU-UHFFFAOYSA-N -1 0 356.394 -0.098 20 0 FBADRM Cc1csc(N2CCN(C(=O)Cn3cnc(-c4nnn[n-]4)n3)CC2)n1 ZINC000822414579 607207352 /nfs/dbraw/zinc/20/73/52/607207352.db2.gz LFGJXDWOLHNZKI-UHFFFAOYSA-N -1 0 360.407 -0.428 20 0 FBADRM Cc1csc(N2CCN(C(=O)Cn3cnc(-c4nnn[n-]4)n3)C[C@@H]2C)n1 ZINC000822414725 607218429 /nfs/dbraw/zinc/21/84/29/607218429.db2.gz RGFMLCYALMRGQF-JTQLQIEISA-N -1 0 374.434 -0.040 20 0 FBADRM Cc1csc(N2CCN(C(=O)Cn3cnc(-c4nnn[n-]4)n3)C[C@H]2C)n1 ZINC000822414726 607218387 /nfs/dbraw/zinc/21/83/87/607218387.db2.gz RGFMLCYALMRGQF-SNVBAGLBSA-N -1 0 374.434 -0.040 20 0 FBADRM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CS[C@H](C)CO)CC2)o1 ZINC000822424506 599133769 /nfs/dbraw/zinc/13/37/69/599133769.db2.gz WRPAPYLRVYRLOQ-SECBINFHSA-N -1 0 367.435 -0.074 20 0 FBADRM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CS[C@@H](C)CO)CC2)o1 ZINC000822424514 599133488 /nfs/dbraw/zinc/13/34/88/599133488.db2.gz WRPAPYLRVYRLOQ-VIFPVBQESA-N -1 0 367.435 -0.074 20 0 FBADRM Cc1nc(CCNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)sc1C ZINC000822439528 606875173 /nfs/dbraw/zinc/87/51/73/606875173.db2.gz CCSWGBKZJPEQEV-UHFFFAOYSA-N -1 0 362.419 -0.008 20 0 FBADRM Cc1nc(CN2CCN(C(=O)Cn3cnc(-c4nnn[n-]4)n3)CC2)oc1C ZINC000822440533 607214476 /nfs/dbraw/zinc/21/44/76/607214476.db2.gz MZUHQQZYDPEMHM-UHFFFAOYSA-N -1 0 372.393 -0.593 20 0 FBADRM Cc1nc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)n(-c2ccccc2)n1 ZINC000822449679 607240233 /nfs/dbraw/zinc/24/02/33/607240233.db2.gz JYUGNXAAZHRDPZ-UHFFFAOYSA-N -1 0 351.334 -0.592 20 0 FBADRM Cc1nc(N2CCOCC2)ccc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000822449915 607320650 /nfs/dbraw/zinc/32/06/50/607320650.db2.gz UYZRIPRVEURBRO-UHFFFAOYSA-N -1 0 370.377 -0.363 20 0 FBADRM Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000822459521 607216849 /nfs/dbraw/zinc/21/68/49/607216849.db2.gz QVWFTNKZNLOPOE-UHFFFAOYSA-N -1 0 369.349 -0.860 20 0 FBADRM Cc1nc2n(n1)CCC[C@H]2Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000822462378 606227699 /nfs/dbraw/zinc/22/76/99/606227699.db2.gz IOESHFBGYJKHFF-MRVPVSSYSA-N -1 0 358.366 -0.889 20 0 FBADRM Cc1nc2n(n1)CCC[C@@H]2Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000822462379 606228128 /nfs/dbraw/zinc/22/81/28/606228128.db2.gz IOESHFBGYJKHFF-QMMMGPOBSA-N -1 0 358.366 -0.889 20 0 FBADRM Cc1nc2ccccc2n1CCNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000822463005 607205947 /nfs/dbraw/zinc/20/59/47/607205947.db2.gz MIDKOJIQVKMFDG-UHFFFAOYSA-N -1 0 352.362 -0.067 20 0 FBADRM Cc1ncc(CN2CCN(C(=O)Cn3cnc(-c4nnn[n-]4)n3)CC2)s1 ZINC000822467318 607216388 /nfs/dbraw/zinc/21/63/88/607216388.db2.gz LMPJOSUXMVBDEJ-UHFFFAOYSA-N -1 0 374.434 -0.432 20 0 FBADRM Cc1nccn1C[C@H]1CCCN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000822476975 606473056 /nfs/dbraw/zinc/47/30/56/606473056.db2.gz BQCIMTXIFZEPCS-LLVKDONJSA-N -1 0 371.405 -0.562 20 0 FBADRM Cc1nccn1C[C@@H]1CCCN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000822476976 606473366 /nfs/dbraw/zinc/47/33/66/606473366.db2.gz BQCIMTXIFZEPCS-NSHDSACASA-N -1 0 371.405 -0.562 20 0 FBADRM Cc1nccn1CCCCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000822478509 599584005 /nfs/dbraw/zinc/58/40/05/599584005.db2.gz SSVQQWKGDDPMDY-UHFFFAOYSA-N -1 0 359.394 -0.339 20 0 FBADRM Cc1nccn1-c1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cn1 ZINC000822478541 607208377 /nfs/dbraw/zinc/20/83/77/607208377.db2.gz UBKQGQFNEVAUMS-UHFFFAOYSA-N -1 0 351.334 -0.014 20 0 FBADRM Cc1nccn1-c1ncccc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000822478969 607208817 /nfs/dbraw/zinc/20/88/17/607208817.db2.gz WRVPBEJBNQXAMU-UHFFFAOYSA-N -1 0 351.334 -0.014 20 0 FBADRM Cc1nn(C)c(C)c1C[C@@H](C)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000822491861 599047001 /nfs/dbraw/zinc/04/70/01/599047001.db2.gz HOHPBJLSSYCBHI-MRVPVSSYSA-N -1 0 373.421 -0.342 20 0 FBADRM Cc1nn(C)c(C)c1C[C@H](C)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000822491862 599046481 /nfs/dbraw/zinc/04/64/81/599046481.db2.gz HOHPBJLSSYCBHI-QMMMGPOBSA-N -1 0 373.421 -0.342 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3nn(C)cc3-c3nn[nH]n3)cc12 ZINC000822496228 606709369 /nfs/dbraw/zinc/70/93/69/606709369.db2.gz FTNXIJPDSYFDRU-UHFFFAOYSA-N -1 0 374.390 -0.009 20 0 FBADRM Cc1nn(C)cc1[C@H]1CCCN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000822496436 607047990 /nfs/dbraw/zinc/04/79/90/607047990.db2.gz MYDQGIDVJHHDJS-LLVKDONJSA-N -1 0 371.405 -0.352 20 0 FBADRM Cc1nn(C)cc1[C@@H]1CCCN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000822496437 607048132 /nfs/dbraw/zinc/04/81/32/607048132.db2.gz MYDQGIDVJHHDJS-NSHDSACASA-N -1 0 371.405 -0.352 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000822497090 606406584 /nfs/dbraw/zinc/40/65/84/606406584.db2.gz YAUGQQNUVMPLEC-UHFFFAOYSA-N -1 0 364.391 -0.326 20 0 FBADRM Cc1nn(C[C@@H]2CCCN(S(C)(=O)=O)C2)c(=O)c(-c2nnn[n-]2)c1C ZINC000822500825 606638200 /nfs/dbraw/zinc/63/82/00/606638200.db2.gz IKKHZAUBTISVDQ-LLVKDONJSA-N -1 0 367.435 -0.288 20 0 FBADRM Cc1nn(C[C@H]2CCCN(S(C)(=O)=O)C2)c(=O)c(-c2nnn[n-]2)c1C ZINC000822500826 606638114 /nfs/dbraw/zinc/63/81/14/606638114.db2.gz IKKHZAUBTISVDQ-NSHDSACASA-N -1 0 367.435 -0.288 20 0 FBADRM Cc1nnnn1-c1cc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)ccc1F ZINC000822519491 607213947 /nfs/dbraw/zinc/21/39/47/607213947.db2.gz HVADNYCAJJNTQI-UHFFFAOYSA-N -1 0 370.312 -0.480 20 0 FBADRM Cc1nnnn1-c1cccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000822520360 607208356 /nfs/dbraw/zinc/20/83/56/607208356.db2.gz ZMOAOLLJQOVTAP-UHFFFAOYSA-N -1 0 352.322 -0.619 20 0 FBADRM Cc1nnnn1-c1ccc(F)c(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000822520369 607157758 /nfs/dbraw/zinc/15/77/58/607157758.db2.gz ZZSTWQJLYBJITP-UHFFFAOYSA-N -1 0 370.312 -0.480 20 0 FBADRM Cc1noc(CCC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)n1 ZINC000822527801 661090349 /nfs/dbraw/zinc/09/03/49/661090349.db2.gz FFKFIRCTDONWHG-UHFFFAOYSA-N -1 0 363.359 -0.004 20 0 FBADRM Cc1noc(CCC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000822528181 661090542 /nfs/dbraw/zinc/09/05/42/661090542.db2.gz WGIYCDSXSJFIDP-UHFFFAOYSA-N -1 0 363.359 -0.004 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000822528277 606406497 /nfs/dbraw/zinc/40/64/97/606406497.db2.gz ZXCSGNYDBMHZIR-UHFFFAOYSA-N -1 0 351.348 -0.071 20 0 FBADRM Cn1c(CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)nc2cc(F)ccc21 ZINC000822595713 607215218 /nfs/dbraw/zinc/21/52/18/607215218.db2.gz BXSUXGOZKPIKBD-UHFFFAOYSA-N -1 0 370.352 -0.157 20 0 FBADRM Cn1c(CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)nc2ccc(F)cc21 ZINC000822596090 607216337 /nfs/dbraw/zinc/21/63/37/607216337.db2.gz GZMCXEFXHZSGCJ-UHFFFAOYSA-N -1 0 370.352 -0.157 20 0 FBADRM Cn1c(CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)nc2c1cccc2F ZINC000822596446 607216247 /nfs/dbraw/zinc/21/62/47/607216247.db2.gz JWFZXIQWBXXYPZ-UHFFFAOYSA-N -1 0 370.352 -0.157 20 0 FBADRM Cn1c(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)nc2cc(F)ccc21 ZINC000822596902 607216334 /nfs/dbraw/zinc/21/63/34/607216334.db2.gz YLFFXMSONJJUOW-UHFFFAOYSA-N -1 0 356.325 -0.200 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCC(=O)OC(C)(C)C)n(C)c1=O ZINC000822599127 599573612 /nfs/dbraw/zinc/57/36/12/599573612.db2.gz ACLHLFXMDGUDNJ-UHFFFAOYSA-N -1 0 351.367 -0.592 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCOC3(CCCCC3)C2)n(C)c1=O ZINC000822599132 599055259 /nfs/dbraw/zinc/05/52/59/599055259.db2.gz AGQFYZYJDLAAPK-UHFFFAOYSA-N -1 0 361.406 -0.196 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)n(C)c1=O ZINC000822599166 599044912 /nfs/dbraw/zinc/04/49/12/599044912.db2.gz BAGQUUGAMHANAY-FBIMIBRVSA-N -1 0 361.406 -0.120 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)n(C)c1=O ZINC000822599168 599045099 /nfs/dbraw/zinc/04/50/99/599045099.db2.gz BAGQUUGAMHANAY-GDPRMGEGSA-N -1 0 361.406 -0.120 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)n(C)c1=O ZINC000822599170 599044554 /nfs/dbraw/zinc/04/45/54/599044554.db2.gz BAGQUUGAMHANAY-IEBDPFPHSA-N -1 0 361.406 -0.120 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)n(C)c1=O ZINC000822599171 599044905 /nfs/dbraw/zinc/04/49/05/599044905.db2.gz BAGQUUGAMHANAY-JMJZKYOTSA-N -1 0 361.406 -0.120 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCC(=O)OC2CCCCC2)n(C)c1=O ZINC000822599179 606423023 /nfs/dbraw/zinc/42/30/23/606423023.db2.gz BCTHPVXUJAYVQR-UHFFFAOYSA-N -1 0 363.378 -0.448 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N(CCO)CCc2ccccc2)n(C)c1=O ZINC000822599189 599058333 /nfs/dbraw/zinc/05/83/33/599058333.db2.gz BHOSCRPAHZGEGI-UHFFFAOYSA-N -1 0 371.401 -0.695 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCOC[C@@H]2c2ccccc2)n(C)c1=O ZINC000822599290 606476506 /nfs/dbraw/zinc/47/65/06/606476506.db2.gz CHBNWDHHEBEKNQ-GFCCVEGCSA-N -1 0 369.385 -0.158 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCOC[C@H]2c2ccccc2)n(C)c1=O ZINC000822599296 606476452 /nfs/dbraw/zinc/47/64/52/606476452.db2.gz CHBNWDHHEBEKNQ-LBPRGKRZSA-N -1 0 369.385 -0.158 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCOCc2ccccc2)n(C)c1=O ZINC000822599323 606142233 /nfs/dbraw/zinc/14/22/33/606142233.db2.gz DDVOHJNOWVQYRR-UHFFFAOYSA-N -1 0 357.374 -0.107 20 0 FBADRM Cn1cnc2cc(Nc3c(-c4nnn[n-]4)c(=O)n(C)c(=O)n3C)ccc21 ZINC000822599529 599358403 /nfs/dbraw/zinc/35/84/03/599358403.db2.gz DIIYDRXDLRIBHF-UHFFFAOYSA-N -1 0 353.346 -0.106 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCO[C@H](c3ccco3)C2)n(C)c1=O ZINC000822599534 606633662 /nfs/dbraw/zinc/63/36/62/606633662.db2.gz DLYSXDRZRBGYCQ-JTQLQIEISA-N -1 0 359.346 -0.565 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCO[C@@H](c3ccco3)C2)n(C)c1=O ZINC000822599535 606633523 /nfs/dbraw/zinc/63/35/23/606633523.db2.gz DLYSXDRZRBGYCQ-SNVBAGLBSA-N -1 0 359.346 -0.565 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[C@@H](Oc3cccnc3)C2)n(C)c1=O ZINC000822599543 606790129 /nfs/dbraw/zinc/79/01/29/606790129.db2.gz DTWPSFBXDGMQGD-LLVKDONJSA-N -1 0 370.373 -0.683 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[C@H](Oc3cccnc3)C2)n(C)c1=O ZINC000822599544 606790070 /nfs/dbraw/zinc/79/00/70/606790070.db2.gz DTWPSFBXDGMQGD-NSHDSACASA-N -1 0 370.373 -0.683 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCCC(=O)OC(C)(C)C)n(C)c1=O ZINC000822599567 599689325 /nfs/dbraw/zinc/68/93/25/599689325.db2.gz FSUKXELMHLWGLW-UHFFFAOYSA-N -1 0 365.394 -0.202 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCCOC2CCOCC2)n(C)c1=O ZINC000822599628 599584054 /nfs/dbraw/zinc/58/40/54/599584054.db2.gz GLRLXOHXAYXQRI-UHFFFAOYSA-N -1 0 365.394 -0.738 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCc2ccc3c(c2)COC3)n(C)c1=O ZINC000822599700 607305660 /nfs/dbraw/zinc/30/56/60/607305660.db2.gz GYTUVAAPGWPSEY-UHFFFAOYSA-N -1 0 355.358 -0.094 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2c3ccccc3C[C@@H]2O)n(C)c1=O ZINC000822599735 606136971 /nfs/dbraw/zinc/13/69/71/606136971.db2.gz HHZIHELBZXHGGC-CMPLNLGQSA-N -1 0 355.358 -0.666 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H]2c3ccccc3C[C@@H]2O)n(C)c1=O ZINC000822599741 606137155 /nfs/dbraw/zinc/13/71/55/606137155.db2.gz HHZIHELBZXHGGC-JQWIXIFHSA-N -1 0 355.358 -0.666 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2c3ccccc3C[C@H]2O)n(C)c1=O ZINC000822599746 606136857 /nfs/dbraw/zinc/13/68/57/606136857.db2.gz HHZIHELBZXHGGC-ZYHUDNBSSA-N -1 0 355.358 -0.666 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCc3ccc(F)cc3C2)n(C)c1=O ZINC000822599934 607331895 /nfs/dbraw/zinc/33/18/95/607331895.db2.gz HZVBUGUNLKFSFT-UHFFFAOYSA-N -1 0 357.349 -0.034 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCc3ccc(O)cc3C2)n(C)c1=O ZINC000822599957 607329053 /nfs/dbraw/zinc/32/90/53/607329053.db2.gz IBQYSHFUSAQYES-UHFFFAOYSA-N -1 0 355.358 -0.468 20 0 FBADRM Cn1c(N[C@H]2CCCCC[C@H]2C(N)=O)c(-c2nnn[n-]2)c(=O)n(C)c1=O ZINC000822599982 607493657 /nfs/dbraw/zinc/49/36/57/607493657.db2.gz IDXOJKMCIMNBCR-BDAKNGLRSA-N -1 0 362.394 -0.890 20 0 FBADRM Cn1c(N[C@@H]2CCCCC[C@@H]2C(N)=O)c(-c2nnn[n-]2)c(=O)n(C)c1=O ZINC000822599983 607493473 /nfs/dbraw/zinc/49/34/73/607493473.db2.gz IDXOJKMCIMNBCR-DTWKUNHWSA-N -1 0 362.394 -0.890 20 0 FBADRM Cn1c(N[C@H]2CCCCC[C@@H]2C(N)=O)c(-c2nnn[n-]2)c(=O)n(C)c1=O ZINC000822599985 607493330 /nfs/dbraw/zinc/49/33/30/607493330.db2.gz IDXOJKMCIMNBCR-IUCAKERBSA-N -1 0 362.394 -0.890 20 0 FBADRM Cn1c(N[C@@H]2CCCCC[C@H]2C(N)=O)c(-c2nnn[n-]2)c(=O)n(C)c1=O ZINC000822599987 607493127 /nfs/dbraw/zinc/49/31/27/607493127.db2.gz IDXOJKMCIMNBCR-RKDXNWHRSA-N -1 0 362.394 -0.890 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC(OCC3CC3)CC2)n(C)c1=O ZINC000822600005 599358596 /nfs/dbraw/zinc/35/85/96/599358596.db2.gz IIBQTUBAJSBEGD-UHFFFAOYSA-N -1 0 361.406 -0.341 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(Nc2cccc(-n3ccnn3)c2)n(C)c1=O ZINC000822600069 607133108 /nfs/dbraw/zinc/13/31/08/607133108.db2.gz JJQPTUNBWCSECS-UHFFFAOYSA-N -1 0 366.345 -0.412 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC(c3c[nH]cn3)CC2)n(C)c1=O ZINC000822600100 606227926 /nfs/dbraw/zinc/22/79/26/606227926.db2.gz JSGRCIPZMYUTQC-UHFFFAOYSA-N -1 0 357.378 -0.629 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N(CCCO)Cc2ccccc2)n(C)c1=O ZINC000822600119 607128813 /nfs/dbraw/zinc/12/88/13/607128813.db2.gz KLWYCWOBKCVPSA-UHFFFAOYSA-N -1 0 371.401 -0.347 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCOC[C@@H]2c2ccco2)n(C)c1=O ZINC000822600330 606476392 /nfs/dbraw/zinc/47/63/92/606476392.db2.gz LQHBZHUFXBKPIY-SECBINFHSA-N -1 0 359.346 -0.565 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCOC[C@H]2c2ccco2)n(C)c1=O ZINC000822600332 606476425 /nfs/dbraw/zinc/47/64/25/606476425.db2.gz LQHBZHUFXBKPIY-VIFPVBQESA-N -1 0 359.346 -0.565 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@H](CO)c2ccccc2)n(C)c1=O ZINC000822600364 606480049 /nfs/dbraw/zinc/48/00/49/606480049.db2.gz MFNLIICADPAYRI-LLVKDONJSA-N -1 0 357.374 -0.548 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@@H](CO)c2ccccc2)n(C)c1=O ZINC000822600365 606480071 /nfs/dbraw/zinc/48/00/71/606480071.db2.gz MFNLIICADPAYRI-NSHDSACASA-N -1 0 357.374 -0.548 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[C@H](Oc3ccccn3)C2)n(C)c1=O ZINC000822600397 606878375 /nfs/dbraw/zinc/87/83/75/606878375.db2.gz NDWRUTBPXKJNSO-JTQLQIEISA-N -1 0 370.373 -0.683 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[C@@H](Oc3ccccn3)C2)n(C)c1=O ZINC000822600398 606878430 /nfs/dbraw/zinc/87/84/30/606878430.db2.gz NDWRUTBPXKJNSO-SNVBAGLBSA-N -1 0 370.373 -0.683 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCCC[C@@H]2c2ncc[nH]2)n(C)c1=O ZINC000822600423 606481154 /nfs/dbraw/zinc/48/11/54/606481154.db2.gz NZOVUQUPWMLHJX-SECBINFHSA-N -1 0 357.378 -0.281 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCCC[C@H]2c2ncc[nH]2)n(C)c1=O ZINC000822600424 606481011 /nfs/dbraw/zinc/48/10/11/606481011.db2.gz NZOVUQUPWMLHJX-VIFPVBQESA-N -1 0 357.378 -0.281 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@@H]2CSCCS2)n(C)c1=O ZINC000822600673 606637514 /nfs/dbraw/zinc/63/75/14/606637514.db2.gz PGWLPSPRSIKHJD-SSDOTTSWSA-N -1 0 355.449 -0.475 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@H]2CSCCS2)n(C)c1=O ZINC000822600674 606637403 /nfs/dbraw/zinc/63/74/03/606637403.db2.gz PGWLPSPRSIKHJD-ZETCQYMHSA-N -1 0 355.449 -0.475 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[C@@]3(O)CCCC[C@@H]3C2)n(C)c1=O ZINC000822600708 607032541 /nfs/dbraw/zinc/03/25/41/607032541.db2.gz QEJNNXZBDTYYTI-HWPZZCPQSA-N -1 0 361.406 -0.605 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[C@]3(O)CCCC[C@H]3C2)n(C)c1=O ZINC000822600709 607032536 /nfs/dbraw/zinc/03/25/36/607032536.db2.gz QEJNNXZBDTYYTI-MGPLVRAMSA-N -1 0 361.406 -0.605 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[C@@]3(O)CCCC[C@H]3C2)n(C)c1=O ZINC000822600710 607032583 /nfs/dbraw/zinc/03/25/83/607032583.db2.gz QEJNNXZBDTYYTI-QFYYESIMSA-N -1 0 361.406 -0.605 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[C@]3(O)CCCC[C@@H]3C2)n(C)c1=O ZINC000822600711 607032833 /nfs/dbraw/zinc/03/28/33/607032833.db2.gz QEJNNXZBDTYYTI-QLJPJBMISA-N -1 0 361.406 -0.605 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCc2ccn3ccnc3c2)n(C)c1=O ZINC000822600988 606793472 /nfs/dbraw/zinc/79/34/72/606793472.db2.gz SAMRHTRDDQSAIB-UHFFFAOYSA-N -1 0 353.346 -0.476 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCc2ccc(Cl)nc2)n(C)c1=O ZINC000822601093 606721990 /nfs/dbraw/zinc/72/19/90/606721990.db2.gz TUSCAXQVMJIBLA-UHFFFAOYSA-N -1 0 362.781 -0.033 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2CC(=O)N(C(C)(C)C)C2)n(C)c1=O ZINC000822601164 606421575 /nfs/dbraw/zinc/42/15/75/606421575.db2.gz UNMMPOZPXWOUKL-MRVPVSSYSA-N -1 0 362.394 -0.925 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H]2CC(=O)N(C(C)(C)C)C2)n(C)c1=O ZINC000822601166 606421665 /nfs/dbraw/zinc/42/16/65/606421665.db2.gz UNMMPOZPXWOUKL-QMMMGPOBSA-N -1 0 362.394 -0.925 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCCC3(CCOCC3)C2)n(C)c1=O ZINC000822601289 599045072 /nfs/dbraw/zinc/04/50/72/599045072.db2.gz XGERJYOZFWEQCK-UHFFFAOYSA-N -1 0 361.406 -0.339 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC[C@]3(CCCOC3)C2)n(C)c1=O ZINC000822601345 606142410 /nfs/dbraw/zinc/14/24/10/606142410.db2.gz XYMSDVUJMDPOAU-INIZCTEOSA-N -1 0 361.406 -0.339 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC[C@@]3(CCCOC3)C2)n(C)c1=O ZINC000822601347 606142545 /nfs/dbraw/zinc/14/25/45/606142545.db2.gz XYMSDVUJMDPOAU-MRXNPFEDSA-N -1 0 361.406 -0.339 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCC[C@@H](O)c2ccccc2)n(C)c1=O ZINC000822601396 599086394 /nfs/dbraw/zinc/08/63/94/599086394.db2.gz YRWQZXULMUGPQZ-LLVKDONJSA-N -1 0 357.374 -0.200 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCC[C@H](O)c2ccccc2)n(C)c1=O ZINC000822601397 599086272 /nfs/dbraw/zinc/08/62/72/599086272.db2.gz YRWQZXULMUGPQZ-NSHDSACASA-N -1 0 357.374 -0.200 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(Nc2ccn(CC(F)F)n2)n(C)c1=O ZINC000822601406 606403377 /nfs/dbraw/zinc/40/33/77/606403377.db2.gz ZAZDOFFRZGISHQ-UHFFFAOYSA-N -1 0 353.293 -0.531 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCCC[C@H]2c2cn[nH]c2)n(C)c1=O ZINC000822601421 606480968 /nfs/dbraw/zinc/48/09/68/606480968.db2.gz ZKBZKJSARHBFRG-JTQLQIEISA-N -1 0 357.378 -0.281 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCCC[C@@H]2c2cn[nH]c2)n(C)c1=O ZINC000822601422 606481073 /nfs/dbraw/zinc/48/10/73/606481073.db2.gz ZKBZKJSARHBFRG-SNVBAGLBSA-N -1 0 357.378 -0.281 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCN(c3cccs3)CC2)n(C)c1=O ZINC000822601423 606876088 /nfs/dbraw/zinc/87/60/88/606876088.db2.gz ZLKYRJHUCXSKIF-UHFFFAOYSA-N -1 0 374.430 -0.348 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(C[C@H](O)COCc2ccccc2)c1=O ZINC000822604570 606633180 /nfs/dbraw/zinc/63/31/80/606633180.db2.gz HMBHHNUENPHUCM-LBPRGKRZSA-N -1 0 358.358 -0.695 20 0 FBADRM Cn1cc(-c2nn[nH]n2)c(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000822609084 661091130 /nfs/dbraw/zinc/09/11/30/661091130.db2.gz JGFLYGFWBBLJGI-MRVPVSSYSA-N -1 0 369.411 -0.854 20 0 FBADRM Cn1cc(-c2nn[nH]n2)c(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)n1 ZINC000822609085 661091037 /nfs/dbraw/zinc/09/10/37/661091037.db2.gz JGFLYGFWBBLJGI-QMMMGPOBSA-N -1 0 369.411 -0.854 20 0 FBADRM Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)n1 ZINC000822622352 606709792 /nfs/dbraw/zinc/70/97/92/606709792.db2.gz BUGYZEDMNDXQEV-UHFFFAOYSA-N -1 0 373.362 -0.623 20 0 FBADRM Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)n1 ZINC000822622696 606709918 /nfs/dbraw/zinc/70/99/18/606709918.db2.gz HEBXFVDYYCJVLJ-UHFFFAOYSA-N -1 0 361.347 -0.017 20 0 FBADRM Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)n1 ZINC000822622701 606711463 /nfs/dbraw/zinc/71/14/63/606711463.db2.gz HIOPJPHSSWFTNB-UHFFFAOYSA-N -1 0 374.386 -0.313 20 0 FBADRM Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)n1 ZINC000822622948 606711225 /nfs/dbraw/zinc/71/12/25/606711225.db2.gz LLLXHASBNQEWAB-UHFFFAOYSA-N -1 0 374.342 -0.715 20 0 FBADRM Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)n1 ZINC000822623000 606710284 /nfs/dbraw/zinc/71/02/84/606710284.db2.gz NSSPATYGGHWKBI-UHFFFAOYSA-N -1 0 360.359 -0.104 20 0 FBADRM Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)n1 ZINC000822623065 606709909 /nfs/dbraw/zinc/70/99/09/606709909.db2.gz OGCCJTNILLHOOJ-UHFFFAOYSA-N -1 0 373.362 -0.623 20 0 FBADRM Cn1cc(-c2nn[nH]n2)cc1C(=O)N1CCCC[C@H]1CS(N)(=O)=O ZINC000822628099 661090975 /nfs/dbraw/zinc/09/09/75/661090975.db2.gz UZDYUFVFMAEJDN-JTQLQIEISA-N -1 0 353.408 -0.512 20 0 FBADRM Cn1cc(-c2nn[nH]n2)cc1C(=O)N1CCCC[C@@H]1CS(N)(=O)=O ZINC000822628103 661091013 /nfs/dbraw/zinc/09/10/13/661091013.db2.gz UZDYUFVFMAEJDN-SNVBAGLBSA-N -1 0 353.408 -0.512 20 0 FBADRM Cn1cc(-c2nn[nH]n2)cc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000822645564 606407373 /nfs/dbraw/zinc/40/73/73/606407373.db2.gz DRDBMDVZWGVJQE-JTQLQIEISA-N -1 0 354.392 -0.166 20 0 FBADRM Cn1cc(-c2nn[nH]n2)cc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000822645565 606408179 /nfs/dbraw/zinc/40/81/79/606408179.db2.gz DRDBMDVZWGVJQE-SNVBAGLBSA-N -1 0 354.392 -0.166 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[nH]n3)cn2C)c1Cl ZINC000822645795 606408046 /nfs/dbraw/zinc/40/80/46/606408046.db2.gz POBZPQASLNKARP-UHFFFAOYSA-N -1 0 370.782 -0.289 20 0 FBADRM Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000822655379 606282406 /nfs/dbraw/zinc/28/24/06/606282406.db2.gz GXLPVFXTHZSBLQ-UHFFFAOYSA-N -1 0 369.392 -0.320 20 0 FBADRM Cn1cc(C[C@@H]2CCN(c3c(-c4nnn[n-]4)c(=O)n(C)c(=O)n3C)C2)cn1 ZINC000822674008 606138275 /nfs/dbraw/zinc/13/82/75/606138275.db2.gz JMINJEULXMFDBV-JTQLQIEISA-N -1 0 371.405 -0.933 20 0 FBADRM Cn1cc(C[C@H]2CCN(c3c(-c4nnn[n-]4)c(=O)n(C)c(=O)n3C)C2)cn1 ZINC000822674009 606138281 /nfs/dbraw/zinc/13/82/81/606138281.db2.gz JMINJEULXMFDBV-SNVBAGLBSA-N -1 0 371.405 -0.933 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2ncc(-c3nn[nH]n3)s2)cc1C(N)=O ZINC000822684609 607026745 /nfs/dbraw/zinc/02/67/45/607026745.db2.gz DUFZKJHAYHCOKN-UHFFFAOYSA-N -1 0 354.377 -0.439 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2O)cc1C(N)=O ZINC000822684988 606212212 /nfs/dbraw/zinc/21/22/12/606212212.db2.gz OIPTZZPYQJHLGX-UHFFFAOYSA-N -1 0 363.359 -0.190 20 0 FBADRM Cn1ccnc1-c1csc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC000822693928 607225329 /nfs/dbraw/zinc/22/53/29/607225329.db2.gz ONOWIVFNXMMTOE-UHFFFAOYSA-N -1 0 357.363 -0.046 20 0 FBADRM Cn1cnnc1-c1cccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000822704458 607207451 /nfs/dbraw/zinc/20/74/51/607207451.db2.gz LKHVLSWKCHLVKU-UHFFFAOYSA-N -1 0 351.334 -0.108 20 0 FBADRM Cn1cnnc1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822704567 606885345 /nfs/dbraw/zinc/88/53/45/606885345.db2.gz NATAJLBOTYVTDE-UHFFFAOYSA-N -1 0 356.318 -0.248 20 0 FBADRM Cn1nnnc1-c1cccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000822714774 607205989 /nfs/dbraw/zinc/20/59/89/607205989.db2.gz UCUQAOXXNUQDIF-UHFFFAOYSA-N -1 0 352.322 -0.713 20 0 FBADRM NC(=O)[C@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)Cc1ccc(F)cc1 ZINC000822850912 607210624 /nfs/dbraw/zinc/21/06/24/607210624.db2.gz TURNTLZNKFVEFU-JTQLQIEISA-N -1 0 373.352 -0.942 20 0 FBADRM NC(=O)[C@@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)Cc1ccc(F)cc1 ZINC000822850913 607210540 /nfs/dbraw/zinc/21/05/40/607210540.db2.gz TURNTLZNKFVEFU-SNVBAGLBSA-N -1 0 373.352 -0.942 20 0 FBADRM NC(=O)[C@H]1c2ccccc2CCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000822864769 607215335 /nfs/dbraw/zinc/21/53/35/607215335.db2.gz KWCYJIUYQCRHPI-GFCCVEGCSA-N -1 0 353.346 -0.931 20 0 FBADRM NC(=O)[C@@H]1c2ccccc2CCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000822864770 607215305 /nfs/dbraw/zinc/21/53/05/607215305.db2.gz KWCYJIUYQCRHPI-LBPRGKRZSA-N -1 0 353.346 -0.931 20 0 FBADRM NC(=O)[C@H]1Cc2ccccc2N(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000822865083 607213860 /nfs/dbraw/zinc/21/38/60/607213860.db2.gz UTXXVXZUFASDJV-JTQLQIEISA-N -1 0 353.346 -0.851 20 0 FBADRM NC(=O)[C@@H]1Cc2ccccc2N(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000822865084 607213785 /nfs/dbraw/zinc/21/37/85/607213785.db2.gz UTXXVXZUFASDJV-SNVBAGLBSA-N -1 0 353.346 -0.851 20 0 FBADRM NS(=O)(=O)CCN1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000822895229 661093058 /nfs/dbraw/zinc/09/30/58/661093058.db2.gz OPUQYYAPPWTJQO-UHFFFAOYSA-N -1 0 369.426 -0.588 20 0 FBADRM NS(=O)(=O)c1ccc(NCCCc2n[nH]c(=O)[n-]2)c(-c2nn[nH]n2)c1 ZINC000822899732 606126589 /nfs/dbraw/zinc/12/65/89/606126589.db2.gz QUSAGCWXUFPQAG-UHFFFAOYSA-N -1 0 365.379 -0.618 20 0 FBADRM Nc1c(-c2nn[nH]n2)cnn1-c1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000822904284 606202995 /nfs/dbraw/zinc/20/29/95/606202995.db2.gz UXAGCBYGXZCFLU-UHFFFAOYSA-N -1 0 367.333 -0.612 20 0 FBADRM O=C(C=Cc1ccccc1-c1nn[nH]n1)[N-]S(=O)(=O)N1CCOCC1 ZINC000822927797 606169680 /nfs/dbraw/zinc/16/96/80/606169680.db2.gz ASJZUYURPNFIEV-AATRIKPKSA-N -1 0 364.387 -0.427 20 0 FBADRM O=C(C=Cc1ccccc1-c1nn[nH]n1)[N-]S(=O)(=O)N1CCOCC1 ZINC000822927798 606169974 /nfs/dbraw/zinc/16/99/74/606169974.db2.gz ASJZUYURPNFIEV-WAYWQWQTSA-N -1 0 364.387 -0.427 20 0 FBADRM O=C(CC1CCCCC1)NCCNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000822941051 607212580 /nfs/dbraw/zinc/21/25/80/607212580.db2.gz OHKGEBWTBFILBH-UHFFFAOYSA-N -1 0 361.410 -0.339 20 0 FBADRM O=C(CCN1C(=O)c2ccccc2C1=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000822965002 607161922 /nfs/dbraw/zinc/16/19/22/607161922.db2.gz WIUCZUROECBYQQ-UHFFFAOYSA-N -1 0 352.314 -0.286 20 0 FBADRM O=C(CCc1ccc(-c2nn[nH]n2)cc1)[N-]S(=O)(=O)N1CCOCC1 ZINC000822978976 606180561 /nfs/dbraw/zinc/18/05/61/606180561.db2.gz UOHSMLKKHMTRSM-UHFFFAOYSA-N -1 0 366.403 -0.508 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)NC1CC1 ZINC000823005089 606885420 /nfs/dbraw/zinc/88/54/20/606885420.db2.gz BDCSCIAFTFLSGE-UHFFFAOYSA-N -1 0 358.330 -0.298 20 0 FBADRM O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)NCCCc1n[nH]c(=O)[n-]1 ZINC000823005447 606290950 /nfs/dbraw/zinc/29/09/50/606290950.db2.gz RMSXGUNCMPMAMP-UHFFFAOYSA-N -1 0 371.361 -0.831 20 0 FBADRM O=C(COc1ccc(-c2nn[nH]n2)cc1)[N-]S(=O)(=O)Cc1ccon1 ZINC000823036411 661094055 /nfs/dbraw/zinc/09/40/55/661094055.db2.gz BHMGEFYGINHOJJ-UHFFFAOYSA-N -1 0 364.343 -0.120 20 0 FBADRM O=C(COc1ccc(-c2nn[nH]n2)cc1)[N-]S(=O)(=O)c1cnccn1 ZINC000823037187 606953968 /nfs/dbraw/zinc/95/39/68/606953968.db2.gz SRBBMCMSCNFTLH-UHFFFAOYSA-N -1 0 361.343 -0.459 20 0 FBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)[N-]S(=O)(=O)Cc1ccon1 ZINC000823043718 661094123 /nfs/dbraw/zinc/09/41/23/661094123.db2.gz GWAJYWCMCMBUSE-UHFFFAOYSA-N -1 0 364.343 -0.120 20 0 FBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)[N-]S(=O)(=O)c1cnccn1 ZINC000823044005 606953938 /nfs/dbraw/zinc/95/39/38/606953938.db2.gz OOYDGUJJXMYJDI-UHFFFAOYSA-N -1 0 361.343 -0.459 20 0 FBADRM O=C(COc1ccccc1-c1nn[nH]n1)[N-]S(=O)(=O)c1cnccn1 ZINC000823050097 606953917 /nfs/dbraw/zinc/95/39/17/606953917.db2.gz QAONXUMCGOKHIG-UHFFFAOYSA-N -1 0 361.343 -0.459 20 0 FBADRM O=C(Cc1ccc(-c2nn[nH]n2)cc1)[N-]S(=O)(=O)N1CCOCC1 ZINC000823078163 606180445 /nfs/dbraw/zinc/18/04/45/606180445.db2.gz GYRYCUNXENHYCV-UHFFFAOYSA-N -1 0 352.376 -0.898 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1cc(-c2nn[nH]n2)ccc1O ZINC000823118498 606293556 /nfs/dbraw/zinc/29/35/56/606293556.db2.gz BIXGIBANIXHICL-UHFFFAOYSA-N -1 0 353.302 -0.404 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Oc1ccc(-c2nn[nH]n2)cc1F ZINC000823118543 607247921 /nfs/dbraw/zinc/24/79/21/607247921.db2.gz DUDMEYLGIPOOHP-UHFFFAOYSA-N -1 0 356.277 -0.004 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000823118854 599177080 /nfs/dbraw/zinc/17/70/80/599177080.db2.gz SUAMJVSSZSXSEI-UHFFFAOYSA-N -1 0 369.320 -0.293 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@@H](OCc2ccncc2)C1 ZINC000823122717 607217732 /nfs/dbraw/zinc/21/77/32/607217732.db2.gz GUWJXNZNKUMYHI-GFCCVEGCSA-N -1 0 355.362 -0.329 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@H](OCc2ccncc2)C1 ZINC000823122720 607218002 /nfs/dbraw/zinc/21/80/02/607218002.db2.gz GUWJXNZNKUMYHI-LBPRGKRZSA-N -1 0 355.362 -0.329 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000823122985 607223124 /nfs/dbraw/zinc/22/31/24/607223124.db2.gz JXCLSUDTKROKII-UHFFFAOYSA-N -1 0 350.346 -0.040 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000823123159 607216258 /nfs/dbraw/zinc/21/62/58/607216258.db2.gz PTIWPGJNVQDXPY-LLVKDONJSA-N -1 0 359.394 -0.681 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000823123160 607216316 /nfs/dbraw/zinc/21/63/16/607216316.db2.gz PTIWPGJNVQDXPY-NSHDSACASA-N -1 0 359.394 -0.681 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@@H](OCc2ccccn2)C1 ZINC000823123194 607224195 /nfs/dbraw/zinc/22/41/95/607224195.db2.gz RLYMIGZJZQFATA-GFCCVEGCSA-N -1 0 355.362 -0.329 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@H](OCc2ccccn2)C1 ZINC000823123195 607224005 /nfs/dbraw/zinc/22/40/05/607224005.db2.gz RLYMIGZJZQFATA-LBPRGKRZSA-N -1 0 355.362 -0.329 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000823123272 607214327 /nfs/dbraw/zinc/21/43/27/607214327.db2.gz VQEDVFBCWSFHEL-GHMZBOCLSA-N -1 0 364.435 -0.029 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000823123273 607214527 /nfs/dbraw/zinc/21/45/27/607214527.db2.gz VQEDVFBCWSFHEL-MNOVXSKESA-N -1 0 364.435 -0.029 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000823123274 607214664 /nfs/dbraw/zinc/21/46/64/607214664.db2.gz VQEDVFBCWSFHEL-QWRGUYRKSA-N -1 0 364.435 -0.029 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000823123275 607214621 /nfs/dbraw/zinc/21/46/21/607214621.db2.gz VQEDVFBCWSFHEL-WDEREUQCSA-N -1 0 364.435 -0.029 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000823123428 607217100 /nfs/dbraw/zinc/21/71/00/607217100.db2.gz ZEXPXXMAKUIUQM-LLVKDONJSA-N -1 0 359.394 -0.538 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000823123429 607217111 /nfs/dbraw/zinc/21/71/11/607217111.db2.gz ZEXPXXMAKUIUQM-NSHDSACASA-N -1 0 359.394 -0.538 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000823125531 607211914 /nfs/dbraw/zinc/21/19/14/607211914.db2.gz ABKDBXCOYGQNAF-JTQLQIEISA-N -1 0 353.346 -0.620 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000823125533 607211854 /nfs/dbraw/zinc/21/18/54/607211854.db2.gz ABKDBXCOYGQNAF-SNVBAGLBSA-N -1 0 353.346 -0.620 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC(=O)N1CCCc2ccccc21 ZINC000823125547 607210588 /nfs/dbraw/zinc/21/05/88/607210588.db2.gz AMCKYKAAYWIBHZ-UHFFFAOYSA-N -1 0 367.373 -0.446 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000823125674 607224218 /nfs/dbraw/zinc/22/42/18/607224218.db2.gz ATFRGEKDKCEUTP-GFCCVEGCSA-N -1 0 356.346 -0.236 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000823125675 607224428 /nfs/dbraw/zinc/22/44/28/607224428.db2.gz ATFRGEKDKCEUTP-LBPRGKRZSA-N -1 0 356.346 -0.236 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000823125689 607216294 /nfs/dbraw/zinc/21/62/94/607216294.db2.gz AYOKIPNJCQTIIL-GFCCVEGCSA-N -1 0 361.410 -0.829 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCCC[C@H]1CN1CCOCC1 ZINC000823125690 607216208 /nfs/dbraw/zinc/21/62/08/607216208.db2.gz AYOKIPNJCQTIIL-LBPRGKRZSA-N -1 0 361.410 -0.829 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC(=O)N1CCc2ccccc2C1 ZINC000823125718 607212604 /nfs/dbraw/zinc/21/26/04/607212604.db2.gz BXFSARWDGWHCIV-UHFFFAOYSA-N -1 0 367.373 -0.841 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000823125995 607211656 /nfs/dbraw/zinc/21/16/56/607211656.db2.gz DVRYESSUMVNQKJ-UHFFFAOYSA-N -1 0 374.796 -0.145 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC[C@@H]1C(=O)Nc2ccccc21 ZINC000823126005 607206181 /nfs/dbraw/zinc/20/61/81/607206181.db2.gz FDKDVMRWBLJLRK-JTQLQIEISA-N -1 0 353.346 -0.300 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC[C@H]1C(=O)Nc2ccccc21 ZINC000823126006 607206026 /nfs/dbraw/zinc/20/60/26/607206026.db2.gz FDKDVMRWBLJLRK-SNVBAGLBSA-N -1 0 353.346 -0.300 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000823126027 607223222 /nfs/dbraw/zinc/22/32/22/607223222.db2.gz FPXKQOCFNZLUDE-SECBINFHSA-N -1 0 374.796 -0.098 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000823126028 607223249 /nfs/dbraw/zinc/22/32/49/607223249.db2.gz FPXKQOCFNZLUDE-VIFPVBQESA-N -1 0 374.796 -0.098 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000823126049 607224098 /nfs/dbraw/zinc/22/40/98/607224098.db2.gz GIZSSWFGNAHGHE-GFCCVEGCSA-N -1 0 373.421 -0.244 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000823126050 607224155 /nfs/dbraw/zinc/22/41/55/607224155.db2.gz GIZSSWFGNAHGHE-LBPRGKRZSA-N -1 0 373.421 -0.244 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCCN(c2nccs2)CC1 ZINC000823126056 607211737 /nfs/dbraw/zinc/21/17/37/607211737.db2.gz GRFUAYKHTLMBII-UHFFFAOYSA-N -1 0 360.407 -0.346 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCOC[C@H]1Cc1ccccc1 ZINC000823126069 607221952 /nfs/dbraw/zinc/22/19/52/607221952.db2.gz GYGNRORMEWLADE-CYBMUJFWSA-N -1 0 354.374 -0.072 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCOC[C@@H]1Cc1ccccc1 ZINC000823126070 607221746 /nfs/dbraw/zinc/22/17/46/607221746.db2.gz GYGNRORMEWLADE-ZDUSSCGKSA-N -1 0 354.374 -0.072 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000823126072 607224355 /nfs/dbraw/zinc/22/43/55/607224355.db2.gz GZBYPUBBSSAIFE-LLVKDONJSA-N -1 0 359.394 -0.635 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000823126073 607224488 /nfs/dbraw/zinc/22/44/88/607224488.db2.gz GZBYPUBBSSAIFE-NSHDSACASA-N -1 0 359.394 -0.635 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000823126285 607224242 /nfs/dbraw/zinc/22/42/42/607224242.db2.gz HDTNVRFVZCZBBA-NEPJUHHUSA-N -1 0 361.410 -0.782 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000823126286 607224573 /nfs/dbraw/zinc/22/45/73/607224573.db2.gz HDTNVRFVZCZBBA-NWDGAFQWSA-N -1 0 361.410 -0.782 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000823126287 607224715 /nfs/dbraw/zinc/22/47/15/607224715.db2.gz HDTNVRFVZCZBBA-RYUDHWBXSA-N -1 0 361.410 -0.782 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000823126288 607224659 /nfs/dbraw/zinc/22/46/59/607224659.db2.gz HDTNVRFVZCZBBA-VXGBXAGGSA-N -1 0 361.410 -0.782 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@]1(O)CCCc2ccccc21 ZINC000823126317 607219550 /nfs/dbraw/zinc/21/95/50/607219550.db2.gz HWEGGXMUFQYRSR-INIZCTEOSA-N -1 0 354.374 -0.202 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@]1(O)CCCc2ccccc21 ZINC000823126318 607219646 /nfs/dbraw/zinc/21/96/46/607219646.db2.gz HWEGGXMUFQYRSR-MRXNPFEDSA-N -1 0 354.374 -0.202 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000823126319 607217811 /nfs/dbraw/zinc/21/78/11/607217811.db2.gz HWRIHHODUPZCPC-GFCCVEGCSA-N -1 0 367.373 -0.230 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000823126320 607217774 /nfs/dbraw/zinc/21/77/74/607217774.db2.gz HWRIHHODUPZCPC-LBPRGKRZSA-N -1 0 367.373 -0.230 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000823126330 607208444 /nfs/dbraw/zinc/20/84/44/607208444.db2.gz ICJKNHGHCLIXBH-JTQLQIEISA-N -1 0 355.366 -0.967 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000823126331 607208385 /nfs/dbraw/zinc/20/83/85/607208385.db2.gz ICJKNHGHCLIXBH-SNVBAGLBSA-N -1 0 355.366 -0.967 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000823126334 607217305 /nfs/dbraw/zinc/21/73/05/607217305.db2.gz IHYGSMGHMXVUDV-JTQLQIEISA-N -1 0 371.336 -0.481 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000823126335 607217293 /nfs/dbraw/zinc/21/72/93/607217293.db2.gz IHYGSMGHMXVUDV-SNVBAGLBSA-N -1 0 371.336 -0.481 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCN(Cc2ccncc2)CC1 ZINC000823126732 607206169 /nfs/dbraw/zinc/20/61/69/607206169.db2.gz MHMWXQPFLYWOBP-UHFFFAOYSA-N -1 0 354.378 -0.802 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000823126752 607224543 /nfs/dbraw/zinc/22/45/43/607224543.db2.gz MPGPADUQEVAZOW-JTQLQIEISA-N -1 0 359.394 -0.492 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000823126756 607224677 /nfs/dbraw/zinc/22/46/77/607224677.db2.gz MPGPADUQEVAZOW-SNVBAGLBSA-N -1 0 359.394 -0.492 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000823126757 607224756 /nfs/dbraw/zinc/22/47/56/607224756.db2.gz MVRJZAHCCBZPFT-LLVKDONJSA-N -1 0 359.394 -0.492 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000823126759 607224558 /nfs/dbraw/zinc/22/45/58/607224558.db2.gz MVRJZAHCCBZPFT-NSHDSACASA-N -1 0 359.394 -0.492 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCN(CCc2ccccc2)CC1 ZINC000823126894 607206014 /nfs/dbraw/zinc/20/60/14/607206014.db2.gz NAEIUMKVERSVPC-UHFFFAOYSA-N -1 0 367.417 -0.155 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@H](O)COc1cccc(F)c1 ZINC000823126928 607223993 /nfs/dbraw/zinc/22/39/93/607223993.db2.gz NYOITOYSQXOYSE-JTQLQIEISA-N -1 0 362.325 -0.847 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@H](O)COc1cccc(F)c1 ZINC000823126929 607224074 /nfs/dbraw/zinc/22/40/74/607224074.db2.gz NYOITOYSQXOYSE-SNVBAGLBSA-N -1 0 362.325 -0.847 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCN(Cc2cscn2)CC1 ZINC000823126947 607210522 /nfs/dbraw/zinc/21/05/22/607210522.db2.gz ONYRBGLOWACOPL-UHFFFAOYSA-N -1 0 360.407 -0.741 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000823126955 607205239 /nfs/dbraw/zinc/20/52/39/607205239.db2.gz ORUPYRSJZOFVLH-UHFFFAOYSA-N -1 0 367.373 -0.557 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCCN(Cc2cscn2)CC1 ZINC000823126974 607213803 /nfs/dbraw/zinc/21/38/03/607213803.db2.gz PDOYPDMQOBIIFD-UHFFFAOYSA-N -1 0 374.434 -0.351 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCC(=O)OCc1ccccc1 ZINC000823126977 607224724 /nfs/dbraw/zinc/22/47/24/607224724.db2.gz PLYBGDRONAVUHV-UHFFFAOYSA-N -1 0 356.346 -0.292 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC(=O)N1CCc2ccccc21 ZINC000823127012 607212929 /nfs/dbraw/zinc/21/29/29/607212929.db2.gz QRXKFNCJVZOHFI-UHFFFAOYSA-N -1 0 353.346 -0.836 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000823127045 607223302 /nfs/dbraw/zinc/22/33/02/607223302.db2.gz RHXGDISJVRNWNP-SECBINFHSA-N -1 0 358.341 -0.613 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCN(c2ncccc2F)C1 ZINC000823127046 607223092 /nfs/dbraw/zinc/22/30/92/607223092.db2.gz RHXGDISJVRNWNP-VIFPVBQESA-N -1 0 358.341 -0.613 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCN(Cc2cccnc2)CC1 ZINC000823127051 607206637 /nfs/dbraw/zinc/20/66/37/607206637.db2.gz RJNMJWCEHMCUDG-UHFFFAOYSA-N -1 0 354.378 -0.802 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000823127056 607224594 /nfs/dbraw/zinc/22/45/94/607224594.db2.gz RMCCEYWBXGNPFE-GHMZBOCLSA-N -1 0 374.361 -0.598 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000823127057 607224567 /nfs/dbraw/zinc/22/45/67/607224567.db2.gz RMCCEYWBXGNPFE-MNOVXSKESA-N -1 0 374.361 -0.598 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000823127058 607224606 /nfs/dbraw/zinc/22/46/06/607224606.db2.gz RMCCEYWBXGNPFE-QWRGUYRKSA-N -1 0 374.361 -0.598 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000823127059 607224762 /nfs/dbraw/zinc/22/47/62/607224762.db2.gz RMCCEYWBXGNPFE-WDEREUQCSA-N -1 0 374.361 -0.598 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000823127064 607222686 /nfs/dbraw/zinc/22/26/86/607222686.db2.gz RPFNZXKTIQQQHF-NXEZZACHSA-N -1 0 366.407 -0.974 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000823127065 607222692 /nfs/dbraw/zinc/22/26/92/607222692.db2.gz RPFNZXKTIQQQHF-UWVGGRQHSA-N -1 0 366.407 -0.974 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000823127066 607222600 /nfs/dbraw/zinc/22/26/00/607222600.db2.gz RPFNZXKTIQQQHF-VHSXEESVSA-N -1 0 366.407 -0.974 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000823127067 607222505 /nfs/dbraw/zinc/22/25/05/607222505.db2.gz RPFNZXKTIQQQHF-ZJUUUORDSA-N -1 0 366.407 -0.974 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCN(c2cccc(O)c2)CC1 ZINC000823127068 607322345 /nfs/dbraw/zinc/32/23/45/607322345.db2.gz RRFQLWGLTYLKSN-UHFFFAOYSA-N -1 0 355.362 -0.487 20 0 FBADRM O=C(CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)Nc1ccc(Cl)cc1 ZINC000823127078 607209888 /nfs/dbraw/zinc/20/98/88/607209888.db2.gz RVUWOZSXTXXLOW-UHFFFAOYSA-N -1 0 361.753 -0.134 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000823127094 607505236 /nfs/dbraw/zinc/50/52/36/607505236.db2.gz SMNBMHHEXQDYCE-SSDOTTSWSA-N -1 0 373.299 -0.872 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000823127095 607505342 /nfs/dbraw/zinc/50/53/42/607505342.db2.gz SMNBMHHEXQDYCE-ZETCQYMHSA-N -1 0 373.299 -0.872 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCN(Cc2cccc(O)c2)CC1 ZINC000823127113 607222029 /nfs/dbraw/zinc/22/20/29/607222029.db2.gz UBUIKZIWCBEVDT-UHFFFAOYSA-N -1 0 369.389 -0.492 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@H](O)COc1ccc(F)cc1 ZINC000823127146 607223967 /nfs/dbraw/zinc/22/39/67/607223967.db2.gz UTCVSRFKHVNMQE-JTQLQIEISA-N -1 0 362.325 -0.847 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@H](O)COc1ccc(F)cc1 ZINC000823127147 607224765 /nfs/dbraw/zinc/22/47/65/607224765.db2.gz UTCVSRFKHVNMQE-SNVBAGLBSA-N -1 0 362.325 -0.847 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC1(c2ccc3c(c2)OCO3)CC1 ZINC000823127157 607321491 /nfs/dbraw/zinc/32/14/91/607321491.db2.gz VCMAWSQVNIZIQN-UHFFFAOYSA-N -1 0 354.330 -0.008 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@H](CO)Cc1ccc(F)cc1 ZINC000823127163 607222477 /nfs/dbraw/zinc/22/24/77/607222477.db2.gz VOBGOHAJURXTMT-LLVKDONJSA-N -1 0 360.353 -0.435 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@H](CO)Cc1ccc(F)cc1 ZINC000823127164 607222525 /nfs/dbraw/zinc/22/25/25/607222525.db2.gz VOBGOHAJURXTMT-NSHDSACASA-N -1 0 360.353 -0.435 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000823127184 607211833 /nfs/dbraw/zinc/21/18/33/607211833.db2.gz WBCLBHGUQLLENI-GFCCVEGCSA-N -1 0 367.373 -0.625 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000823127185 607211688 /nfs/dbraw/zinc/21/16/88/607211688.db2.gz WBCLBHGUQLLENI-LBPRGKRZSA-N -1 0 367.373 -0.625 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCCN(CC(F)(F)F)CC1 ZINC000823127191 607211697 /nfs/dbraw/zinc/21/16/97/607211697.db2.gz WEVXVWKFVWHMRK-UHFFFAOYSA-N -1 0 359.316 -0.445 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@H](O)c1c(F)cccc1F ZINC000823127202 607224534 /nfs/dbraw/zinc/22/45/34/607224534.db2.gz WLGXQNMTSRZOAN-SECBINFHSA-N -1 0 350.289 -0.414 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@H](O)c1c(F)cccc1F ZINC000823127203 607224774 /nfs/dbraw/zinc/22/47/74/607224774.db2.gz WLGXQNMTSRZOAN-VIFPVBQESA-N -1 0 350.289 -0.414 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCN(C(=O)c2ccsc2)CC1 ZINC000823127207 607209205 /nfs/dbraw/zinc/20/92/05/607209205.db2.gz WOGSJLLKVYHKEL-UHFFFAOYSA-N -1 0 373.402 -0.496 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000823127208 607216282 /nfs/dbraw/zinc/21/62/82/607216282.db2.gz WOYIHLOAPVVRGC-LLVKDONJSA-N -1 0 353.346 -0.620 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCN(c2ccccc2)C1=O ZINC000823127209 607216267 /nfs/dbraw/zinc/21/62/67/607216267.db2.gz WOYIHLOAPVVRGC-NSHDSACASA-N -1 0 353.346 -0.620 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC[C@H]1COc2ccccc2O1 ZINC000823127214 607224624 /nfs/dbraw/zinc/22/46/24/607224624.db2.gz WUKRDKHNXVDXBU-JTQLQIEISA-N -1 0 356.346 -0.196 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC[C@@H]1COc2ccccc2O1 ZINC000823127215 607224718 /nfs/dbraw/zinc/22/47/18/607224718.db2.gz WUKRDKHNXVDXBU-SNVBAGLBSA-N -1 0 356.346 -0.196 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000823127216 607211715 /nfs/dbraw/zinc/21/17/15/607211715.db2.gz WUWDMXOFEMAHNV-UHFFFAOYSA-N -1 0 373.421 -0.291 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCN(c2cccc(F)c2)CC1 ZINC000823127219 607237670 /nfs/dbraw/zinc/23/76/70/607237670.db2.gz WVTOHKOTOGQZKO-UHFFFAOYSA-N -1 0 357.353 -0.054 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCN(Cc2ccccn2)CC1 ZINC000823127252 607206054 /nfs/dbraw/zinc/20/60/54/607206054.db2.gz XRXIUQNIZAGSAR-UHFFFAOYSA-N -1 0 354.378 -0.802 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCN(CCc2cccs2)CC1 ZINC000823127258 607210343 /nfs/dbraw/zinc/21/03/43/607210343.db2.gz XYFCKJXDWWWDQF-UHFFFAOYSA-N -1 0 373.446 -0.093 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000823127293 607224597 /nfs/dbraw/zinc/22/45/97/607224597.db2.gz ZBVNZVMIIXSJIH-UHFFFAOYSA-N -1 0 371.380 -0.058 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCCNC(=O)c1ccc(F)cc1 ZINC000823130984 607216364 /nfs/dbraw/zinc/21/63/64/607216364.db2.gz AHZZVALJCWCTLU-UHFFFAOYSA-N -1 0 373.352 -0.466 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccc(-n2cncn2)cc1 ZINC000823130992 607208417 /nfs/dbraw/zinc/20/84/17/607208417.db2.gz ATAZHKVRWNYDOD-UHFFFAOYSA-N -1 0 351.334 -0.645 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCCNC(=O)c1ccccc1 ZINC000823130996 607213076 /nfs/dbraw/zinc/21/30/76/607213076.db2.gz AVOAOIZRVRUDHM-UHFFFAOYSA-N -1 0 355.362 -0.606 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCNC(=O)c1ccc(F)cc1 ZINC000823131034 607210498 /nfs/dbraw/zinc/21/04/98/607210498.db2.gz BBJYQSJXPQLVFT-UHFFFAOYSA-N -1 0 359.325 -0.857 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccccc1-n1ccnc1 ZINC000823131062 607233850 /nfs/dbraw/zinc/23/38/50/607233850.db2.gz BNCOJWNOCQXNSC-UHFFFAOYSA-N -1 0 350.346 -0.040 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1noc(-c2cccs2)n1 ZINC000823131070 607211920 /nfs/dbraw/zinc/21/19/20/607211920.db2.gz BSYCDJDEEBBZOA-UHFFFAOYSA-N -1 0 358.347 -0.114 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccc(-n2cccn2)cc1 ZINC000823131078 607208496 /nfs/dbraw/zinc/20/84/96/607208496.db2.gz BXCQWNAWKUBCJW-UHFFFAOYSA-N -1 0 350.346 -0.040 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC[S@@](=O)Cc1ccccc1 ZINC000823131226 607216391 /nfs/dbraw/zinc/21/63/91/607216391.db2.gz DFVWZRPFFXRYKX-RUZDIDTESA-N -1 0 360.403 -0.477 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCC[S@](=O)Cc1ccccc1 ZINC000823131229 607216250 /nfs/dbraw/zinc/21/62/50/607216250.db2.gz DFVWZRPFFXRYKX-VWLOTQADSA-N -1 0 360.403 -0.477 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cc(-n2cnnn2)ccc1Cl ZINC000823131296 607158070 /nfs/dbraw/zinc/15/80/70/607158070.db2.gz FNSSJAZSANQDKN-UHFFFAOYSA-N -1 0 372.740 -0.274 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCOc1ccc(F)c(F)c1 ZINC000823131358 607215676 /nfs/dbraw/zinc/21/56/76/607215676.db2.gz GKGFCTVOEVEBCV-UHFFFAOYSA-N -1 0 350.289 -0.068 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCN1C(=O)Cc2ccccc21 ZINC000823131387 607213000 /nfs/dbraw/zinc/21/30/00/607213000.db2.gz GVXAVDGCPYJUEH-UHFFFAOYSA-N -1 0 353.346 -0.836 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccn(-c2ccccc2)n1 ZINC000823131399 607209762 /nfs/dbraw/zinc/20/97/62/607209762.db2.gz GZKAOPSHTGKJJJ-UHFFFAOYSA-N -1 0 350.346 -0.040 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCc1csc(N2CCCC2)n1 ZINC000823131429 607217914 /nfs/dbraw/zinc/21/79/14/607217914.db2.gz HENSXJDYUOLTEV-UHFFFAOYSA-N -1 0 374.434 -0.126 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccc(-n2cncn2)c(F)c1 ZINC000823131465 607209308 /nfs/dbraw/zinc/20/93/08/607209308.db2.gz HSKDRJZBQSTVDQ-UHFFFAOYSA-N -1 0 355.297 -0.183 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccc(N2CCCC2)nc1 ZINC000823131520 607206677 /nfs/dbraw/zinc/20/66/77/607206677.db2.gz IFZGMDYPEFRIIG-UHFFFAOYSA-N -1 0 354.378 -0.230 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCCc1ccc2c(c1)OCCO2 ZINC000823131566 607223468 /nfs/dbraw/zinc/22/34/68/607223468.db2.gz JYZMJYUKNZDDIQ-UHFFFAOYSA-N -1 0 370.373 -0.022 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccc2c(c1)OCCCO2 ZINC000823131655 607213851 /nfs/dbraw/zinc/21/38/51/607213851.db2.gz LERQZAQDNPYOCW-UHFFFAOYSA-N -1 0 356.346 -0.064 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCCNC(=O)c1cccc(F)c1 ZINC000823131674 607216184 /nfs/dbraw/zinc/21/61/84/607216184.db2.gz LUDWGGLBAQPFLS-UHFFFAOYSA-N -1 0 373.352 -0.466 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCS(=O)(=O)c1ccccc1 ZINC000823131714 607210925 /nfs/dbraw/zinc/21/09/25/607210925.db2.gz MMDNVVAFOBHRQT-UHFFFAOYSA-N -1 0 362.375 -0.952 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCCN(C(=O)C1CCC1)C1CC1 ZINC000823131719 607216325 /nfs/dbraw/zinc/21/63/25/607216325.db2.gz MOKAEIHXZPZZDO-UHFFFAOYSA-N -1 0 373.421 -0.244 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccccc1N1CCOCC1 ZINC000823131763 607209960 /nfs/dbraw/zinc/20/99/60/607209960.db2.gz NNQMAAKOPZHMAY-UHFFFAOYSA-N -1 0 369.389 -0.389 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccccc1Cn1cncn1 ZINC000823131787 607207735 /nfs/dbraw/zinc/20/77/35/607207735.db2.gz OSENMWXCPTXSNF-UHFFFAOYSA-N -1 0 365.361 -0.586 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCc1nc2cc(F)ccc2[nH]1 ZINC000823131904 607221198 /nfs/dbraw/zinc/22/11/98/607221198.db2.gz PYWGHRLTKCWDDD-UHFFFAOYSA-N -1 0 356.325 -0.168 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCNc1ncnc2sccc21 ZINC000823131914 607209327 /nfs/dbraw/zinc/20/93/27/607209327.db2.gz QKIJDBYXYRVSSG-UHFFFAOYSA-N -1 0 371.390 -0.309 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1cccc2c1OCCCO2 ZINC000823131919 607320586 /nfs/dbraw/zinc/32/05/86/607320586.db2.gz QRSVHGWYUUWCQT-UHFFFAOYSA-N -1 0 356.346 -0.064 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCCNC(=O)c1cccs1 ZINC000823131929 661094866 /nfs/dbraw/zinc/09/48/66/661094866.db2.gz RCFNNYFMZPRZAO-UHFFFAOYSA-N -1 0 361.391 -0.544 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1nc(Cc2ccccc2)no1 ZINC000823131933 607211706 /nfs/dbraw/zinc/21/17/06/607211706.db2.gz RFBMRHOEXWWVDF-UHFFFAOYSA-N -1 0 366.345 -0.252 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCCNC(=O)c1cccc(O)c1 ZINC000823131949 607233197 /nfs/dbraw/zinc/23/31/97/607233197.db2.gz RXJSYMOPLBNZBD-UHFFFAOYSA-N -1 0 371.361 -0.900 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1cccc(-n2cncn2)c1 ZINC000823131951 607218575 /nfs/dbraw/zinc/21/85/75/607218575.db2.gz RYTOOARBCUFHJJ-UHFFFAOYSA-N -1 0 351.334 -0.645 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1n[nH]cc1Br ZINC000823131969 607214467 /nfs/dbraw/zinc/21/44/67/607214467.db2.gz SQEZJVKGYZZJIX-UHFFFAOYSA-N -1 0 353.144 -0.740 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cc(-n2cnnn2)ccc1F ZINC000823131980 607157816 /nfs/dbraw/zinc/15/78/16/607157816.db2.gz TXIISFIFZLYYLA-UHFFFAOYSA-N -1 0 356.285 -0.788 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccccc1-n1cccn1 ZINC000823131989 607211883 /nfs/dbraw/zinc/21/18/83/607211883.db2.gz UODMDCHUTQBJEG-UHFFFAOYSA-N -1 0 350.346 -0.040 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccc(-n2ccnc2)cc1 ZINC000823131995 607211685 /nfs/dbraw/zinc/21/16/85/607211685.db2.gz UTVIUYFLFOPRAR-UHFFFAOYSA-N -1 0 350.346 -0.040 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1cn(-c2ccccc2)nn1 ZINC000823132001 607222597 /nfs/dbraw/zinc/22/25/97/607222597.db2.gz UWHDYDMVGPLOCU-UHFFFAOYSA-N -1 0 351.334 -0.645 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccnc(N2CCCC2)c1 ZINC000823132012 607206566 /nfs/dbraw/zinc/20/65/66/607206566.db2.gz VHRUVEICHRXUTP-UHFFFAOYSA-N -1 0 354.378 -0.230 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccc(Cn2cncn2)cc1 ZINC000823132047 607206023 /nfs/dbraw/zinc/20/60/23/607206023.db2.gz WXEYHYBCTDQFMH-UHFFFAOYSA-N -1 0 365.361 -0.586 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCNC(=O)c1ccccc1F ZINC000823132061 607209906 /nfs/dbraw/zinc/20/99/06/607209906.db2.gz XOTICRUJNBNMNM-UHFFFAOYSA-N -1 0 359.325 -0.857 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCn1c(=O)[nH]c2ccccc21 ZINC000823132064 607221906 /nfs/dbraw/zinc/22/19/06/607221906.db2.gz XWFNFVGVHZRZNA-UHFFFAOYSA-N -1 0 354.334 -0.670 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCOc1ccc(F)cc1F ZINC000823132090 607215660 /nfs/dbraw/zinc/21/56/60/607215660.db2.gz ZHMABQZEHCBYPG-UHFFFAOYSA-N -1 0 350.289 -0.068 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000823132101 607206728 /nfs/dbraw/zinc/20/67/28/607206728.db2.gz ZWKHREQOJWPIGI-UHFFFAOYSA-N -1 0 353.346 -0.011 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1nncn1Cc1ccccc1 ZINC000823135972 607218360 /nfs/dbraw/zinc/21/83/60/607218360.db2.gz DFGDGEPCDIMAEY-UHFFFAOYSA-N -1 0 351.334 -0.263 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cccc(N2CCOCC2)c1 ZINC000823136017 607209771 /nfs/dbraw/zinc/20/97/71/607209771.db2.gz GGKRLUSOBFSXMT-UHFFFAOYSA-N -1 0 355.362 -0.067 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccccc1CN1CCOCC1 ZINC000823136047 607209238 /nfs/dbraw/zinc/20/92/38/607209238.db2.gz HMXKJIFHCQCZEJ-UHFFFAOYSA-N -1 0 369.389 -0.071 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccc(N2CCOCC2)cn1 ZINC000823136071 607206838 /nfs/dbraw/zinc/20/68/38/607206838.db2.gz IRXNZBBQCOGGSW-UHFFFAOYSA-N -1 0 356.350 -0.672 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000823136085 607224674 /nfs/dbraw/zinc/22/46/74/607224674.db2.gz JJEJDYGONNBVLM-UHFFFAOYSA-N -1 0 360.359 -0.573 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccn(CCc2ccncc2)n1 ZINC000823136086 607213365 /nfs/dbraw/zinc/21/33/65/607213365.db2.gz JKYOBZCRLXXEPD-UHFFFAOYSA-N -1 0 365.361 -0.069 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ncn(Cc2ccccc2)n1 ZINC000823136158 607210952 /nfs/dbraw/zinc/21/09/52/607210952.db2.gz MKWTZJVDZDDCAW-UHFFFAOYSA-N -1 0 351.334 -0.263 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccc(Cn2cncn2)cc1 ZINC000823136169 607207676 /nfs/dbraw/zinc/20/76/76/607207676.db2.gz MZQHDKAKCLXPHY-UHFFFAOYSA-N -1 0 351.334 -0.263 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cccnc1N1CCOCC1 ZINC000823136184 607209858 /nfs/dbraw/zinc/20/98/58/607209858.db2.gz NPVOKWPNKIANND-UHFFFAOYSA-N -1 0 356.350 -0.672 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cccc(CN2CCOCC2)c1 ZINC000823136281 607211041 /nfs/dbraw/zinc/21/10/41/607211041.db2.gz STKCXPIHBITWHL-UHFFFAOYSA-N -1 0 369.389 -0.071 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cccc(-n2cc[nH]c2=O)c1 ZINC000823136316 607209918 /nfs/dbraw/zinc/20/99/18/607209918.db2.gz VIIJYTFLQNEIPR-UHFFFAOYSA-N -1 0 352.318 -0.012 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cccc(Cn2cncn2)c1 ZINC000823136324 607209119 /nfs/dbraw/zinc/20/91/19/607209119.db2.gz VULDTCTWAJDCKN-UHFFFAOYSA-N -1 0 351.334 -0.263 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000823136334 607216319 /nfs/dbraw/zinc/21/63/19/607216319.db2.gz WGKUWSBGDUAYQV-UHFFFAOYSA-N -1 0 354.334 -0.160 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccc(N2CCCC2=O)cn1 ZINC000823136349 607449941 /nfs/dbraw/zinc/44/99/41/607449941.db2.gz XFTMDQBRPLGVOD-UHFFFAOYSA-N -1 0 354.334 -0.381 20 0 FBADRM O=C(NCCNS(=O)(=O)c1cccnc1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823201328 607487759 /nfs/dbraw/zinc/48/77/59/607487759.db2.gz HEKNEYGUERRVRN-UHFFFAOYSA-N -1 0 362.375 -0.702 20 0 FBADRM O=C(NCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C1CC1 ZINC000823202176 606885591 /nfs/dbraw/zinc/88/55/91/606885591.db2.gz SDPXBBIAKPYFBF-UHFFFAOYSA-N -1 0 372.357 -0.051 20 0 FBADRM O=C(c1cnc(I)c([O-])c1)N1CC(O)(CO)C1 ZINC000823213471 661095137 /nfs/dbraw/zinc/09/51/37/661095137.db2.gz GZVYOKCUXYAPQQ-UHFFFAOYSA-N -1 0 350.112 -0.429 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000823261913 607209843 /nfs/dbraw/zinc/20/98/43/607209843.db2.gz WUOICMDEESYVKV-LLVKDONJSA-N -1 0 371.361 -0.641 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@H]1C(=O)NCc1ccco1 ZINC000823261916 607209717 /nfs/dbraw/zinc/20/97/17/607209717.db2.gz WUOICMDEESYVKV-NSHDSACASA-N -1 0 371.361 -0.641 20 0 FBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823266168 606298144 /nfs/dbraw/zinc/29/81/44/606298144.db2.gz NSGVJRIYPJTRFS-LLVKDONJSA-N -1 0 355.362 -0.024 20 0 FBADRM O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823266171 606298217 /nfs/dbraw/zinc/29/82/17/606298217.db2.gz NSGVJRIYPJTRFS-NSHDSACASA-N -1 0 355.362 -0.024 20 0 FBADRM Cc1nc(C(=O)NCCS(=O)(=O)N2CCOCC2)ccc1C(=O)[O-] ZINC000823328301 661095932 /nfs/dbraw/zinc/09/59/32/661095932.db2.gz BYVCYFDFCSOYGK-UHFFFAOYSA-N -1 0 357.388 -0.520 20 0 FBADRM O=C([O-])c1ccc(CC(=O)NCCS(=O)(=O)N2CCOCC2)cc1 ZINC000823328366 661096053 /nfs/dbraw/zinc/09/60/53/661096053.db2.gz LBUDQINUSGVWDI-UHFFFAOYSA-N -1 0 356.400 -0.295 20 0 FBADRM O=C([O-])COCCNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000823329203 661095870 /nfs/dbraw/zinc/09/58/70/661095870.db2.gz MIVWGEZVNQBTJV-UHFFFAOYSA-N -1 0 366.342 -0.149 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000823383181 607207768 /nfs/dbraw/zinc/20/77/68/607207768.db2.gz NEBFJHXXOIHJOY-MRVPVSSYSA-N -1 0 374.390 -0.456 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000823383183 607207832 /nfs/dbraw/zinc/20/78/32/607207832.db2.gz NEBFJHXXOIHJOY-QMMMGPOBSA-N -1 0 374.390 -0.456 20 0 FBADRM O=C(N[C@@H]1COC[C@H]1O)c1cnc(I)c([O-])c1 ZINC000823396391 661096044 /nfs/dbraw/zinc/09/60/44/661096044.db2.gz UAEXYEXBPSXPIP-HTRCEHHLSA-N -1 0 350.112 -0.119 20 0 FBADRM O=C(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000823460864 606682166 /nfs/dbraw/zinc/68/21/66/606682166.db2.gz YEBBVSAKDJRWPX-SECBINFHSA-N -1 0 363.288 -0.128 20 0 FBADRM O=C(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000823460865 606682207 /nfs/dbraw/zinc/68/22/07/606682207.db2.gz YEBBVSAKDJRWPX-VIFPVBQESA-N -1 0 363.288 -0.128 20 0 FBADRM C=CC(=O)NCCC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000823485704 605593718 /nfs/dbraw/zinc/59/37/18/605593718.db2.gz JAWQRRULTFWJKH-CYBMUJFWSA-N -1 0 366.418 -0.261 20 0 FBADRM C=CC(=O)NCCC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000823485705 605594229 /nfs/dbraw/zinc/59/42/29/605594229.db2.gz JAWQRRULTFWJKH-ZDUSSCGKSA-N -1 0 366.418 -0.261 20 0 FBADRM O=C(c1nc[nH]n1)N1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000823498406 607508824 /nfs/dbraw/zinc/50/88/24/607508824.db2.gz OJMNDNFEOWMVIM-UHFFFAOYSA-N -1 0 356.350 -0.187 20 0 FBADRM O=C([N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CCNC(=O)C1 ZINC000823519214 606759601 /nfs/dbraw/zinc/75/96/01/606759601.db2.gz DQQDWVMLIRHFNW-SECBINFHSA-N -1 0 350.360 -0.802 20 0 FBADRM O=C([N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1)[C@H]1CCNC(=O)C1 ZINC000823519215 606759081 /nfs/dbraw/zinc/75/90/81/606759081.db2.gz DQQDWVMLIRHFNW-VIFPVBQESA-N -1 0 350.360 -0.802 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCNC(=O)C1 ZINC000823519467 606759320 /nfs/dbraw/zinc/75/93/20/606759320.db2.gz GAIIQYHQPYEKAW-LLVKDONJSA-N -1 0 364.387 -0.661 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCNC(=O)C1 ZINC000823519468 606759166 /nfs/dbraw/zinc/75/91/66/606759166.db2.gz GAIIQYHQPYEKAW-NSHDSACASA-N -1 0 364.387 -0.661 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCNC(=O)C1 ZINC000823519969 606759585 /nfs/dbraw/zinc/75/95/85/606759585.db2.gz KQDOABRBACNMJO-SECBINFHSA-N -1 0 350.360 -0.802 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCNC(=O)C1 ZINC000823519970 606759528 /nfs/dbraw/zinc/75/95/28/606759528.db2.gz KQDOABRBACNMJO-VIFPVBQESA-N -1 0 350.360 -0.802 20 0 FBADRM O=C(c1cnc(I)c([O-])c1)N1C[C@H](O)[C@@H](CO)C1 ZINC000823520669 661096549 /nfs/dbraw/zinc/09/65/49/661096549.db2.gz YAAKNGKHJITQEV-APPZFPTMSA-N -1 0 364.139 -0.183 20 0 FBADRM O=C(c1cnc(I)c([O-])c1)N1C[C@H](O)[C@H](CO)C1 ZINC000823520671 661096431 /nfs/dbraw/zinc/09/64/31/661096431.db2.gz YAAKNGKHJITQEV-CBAPKCEASA-N -1 0 364.139 -0.183 20 0 FBADRM O=C(c1cnc(I)c([O-])c1)N1C[C@@H](O)[C@H](CO)C1 ZINC000823520672 661096519 /nfs/dbraw/zinc/09/65/19/661096519.db2.gz YAAKNGKHJITQEV-IONNQARKSA-N -1 0 364.139 -0.183 20 0 FBADRM O=C(c1cnc(I)c([O-])c1)N1C[C@H](CO)[C@H](O)C1 ZINC000823520673 661096222 /nfs/dbraw/zinc/09/62/22/661096222.db2.gz YAAKNGKHJITQEV-VXNVDRBHSA-N -1 0 364.139 -0.183 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000823521125 607209314 /nfs/dbraw/zinc/20/93/14/607209314.db2.gz QJTRYCHGZQUOSD-GFCCVEGCSA-N -1 0 367.373 -0.452 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000823521126 607209293 /nfs/dbraw/zinc/20/92/93/607209293.db2.gz QJTRYCHGZQUOSD-LBPRGKRZSA-N -1 0 367.373 -0.452 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCNC(=O)C1 ZINC000823521139 606759033 /nfs/dbraw/zinc/75/90/33/606759033.db2.gz QTHMUSYHKNQVSH-SECBINFHSA-N -1 0 364.387 -0.661 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[nH]n1)[C@H]1CCNC(=O)C1 ZINC000823521140 606759227 /nfs/dbraw/zinc/75/92/27/606759227.db2.gz QTHMUSYHKNQVSH-VIFPVBQESA-N -1 0 364.387 -0.661 20 0 FBADRM O=C1C[C@@H](O)CN1CN1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000823521268 606998818 /nfs/dbraw/zinc/99/88/18/606998818.db2.gz UORSUOWCZBVFIH-LLVKDONJSA-N -1 0 374.405 -0.595 20 0 FBADRM O=C1C[C@H](O)CN1CN1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000823521269 606998921 /nfs/dbraw/zinc/99/89/21/606998921.db2.gz UORSUOWCZBVFIH-NSHDSACASA-N -1 0 374.405 -0.595 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCNC(=O)C1 ZINC000823521446 606760377 /nfs/dbraw/zinc/76/03/77/606760377.db2.gz WWVVSHYABNXIQM-LLVKDONJSA-N -1 0 364.387 -0.661 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCNC(=O)C1 ZINC000823521447 606760399 /nfs/dbraw/zinc/76/03/99/606760399.db2.gz WWVVSHYABNXIQM-NSHDSACASA-N -1 0 364.387 -0.661 20 0 FBADRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)c2ccccc21)N1CCNC(=O)C1 ZINC000823536144 606822484 /nfs/dbraw/zinc/82/24/84/606822484.db2.gz TZJZGRWBOJTJGP-UHFFFAOYSA-N -1 0 353.342 -0.860 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000823536228 607207771 /nfs/dbraw/zinc/20/77/71/607207771.db2.gz XEMGEKIJJSBWSN-UHFFFAOYSA-N -1 0 368.361 -0.967 20 0 FBADRM CC(=O)N(C)C1CCN(CN2C[C@@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000823538359 603599128 /nfs/dbraw/zinc/59/91/28/603599128.db2.gz NUUPDRHAZYLLRX-AWEZNQCLSA-N -1 0 353.423 -0.014 20 0 FBADRM CC(=O)N(C)C1CCN(CN2C[C@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000823538360 603598726 /nfs/dbraw/zinc/59/87/26/603598726.db2.gz NUUPDRHAZYLLRX-CQSZACIVSA-N -1 0 353.423 -0.014 20 0 FBADRM CC(=O)N1CCC(C(=O)Nc2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)CC1 ZINC000823544011 603954895 /nfs/dbraw/zinc/95/48/95/603954895.db2.gz CTHQPKNDNDJUHX-UHFFFAOYSA-N -1 0 365.394 -0.198 20 0 FBADRM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(C(=O)NCCNC(=O)[O-])C1 ZINC000823544369 605225360 /nfs/dbraw/zinc/22/53/60/605225360.db2.gz JBSMSBBUGNPKDD-LLVKDONJSA-N -1 0 354.367 -0.222 20 0 FBADRM CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(C(=O)NCCNC(=O)[O-])C1 ZINC000823544370 605225512 /nfs/dbraw/zinc/22/55/12/605225512.db2.gz JBSMSBBUGNPKDD-NSHDSACASA-N -1 0 354.367 -0.222 20 0 FBADRM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(C(=O)NC2CN(C(=O)[O-])C2)C1 ZINC000823544479 605228980 /nfs/dbraw/zinc/22/89/80/605228980.db2.gz KQQRUOXALHUPBF-GFCCVEGCSA-N -1 0 366.378 -0.127 20 0 FBADRM CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(C(=O)NC2CN(C(=O)[O-])C2)C1 ZINC000823544480 605228819 /nfs/dbraw/zinc/22/88/19/605228819.db2.gz KQQRUOXALHUPBF-LBPRGKRZSA-N -1 0 366.378 -0.127 20 0 FBADRM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(C(=O)COCCNC(=O)[O-])C1 ZINC000823544868 605217028 /nfs/dbraw/zinc/21/70/28/605217028.db2.gz QRFGXWNDGKCRFM-GFCCVEGCSA-N -1 0 369.378 -0.388 20 0 FBADRM CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(C(=O)COCCNC(=O)[O-])C1 ZINC000823544869 605217060 /nfs/dbraw/zinc/21/70/60/605217060.db2.gz QRFGXWNDGKCRFM-LBPRGKRZSA-N -1 0 369.378 -0.388 20 0 FBADRM CC(=O)N(Cc1nnc(C2CC2)n1C)[C@@H]1CCN(C(=O)CNC(=O)[O-])C1 ZINC000823545098 605219338 /nfs/dbraw/zinc/21/93/38/605219338.db2.gz WHJLISOBELEHID-GFCCVEGCSA-N -1 0 364.406 -0.091 20 0 FBADRM CC(=O)N(Cc1nnc(C2CC2)n1C)[C@H]1CCN(C(=O)CNC(=O)[O-])C1 ZINC000823545099 605219174 /nfs/dbraw/zinc/21/91/74/605219174.db2.gz WHJLISOBELEHID-LBPRGKRZSA-N -1 0 364.406 -0.091 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000823546412 607220594 /nfs/dbraw/zinc/22/05/94/607220594.db2.gz CKUMCNQROBNVJX-JTQLQIEISA-N -1 0 359.375 -0.781 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCNC(=O)[C@H]1c1cccs1 ZINC000823546417 607220537 /nfs/dbraw/zinc/22/05/37/607220537.db2.gz CKUMCNQROBNVJX-SNVBAGLBSA-N -1 0 359.375 -0.781 20 0 FBADRM O=C1NCCC[C@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823547563 606888859 /nfs/dbraw/zinc/88/88/59/606888859.db2.gz KKQVMTUQWVNXJO-SECBINFHSA-N -1 0 358.330 -0.298 20 0 FBADRM O=C1NCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823547564 606888918 /nfs/dbraw/zinc/88/89/18/606888918.db2.gz KKQVMTUQWVNXJO-VIFPVBQESA-N -1 0 358.330 -0.298 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000823548024 607212269 /nfs/dbraw/zinc/21/22/69/607212269.db2.gz RMYKOMSKSLLGKT-GFCCVEGCSA-N -1 0 353.346 -0.842 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000823548025 607212365 /nfs/dbraw/zinc/21/23/65/607212365.db2.gz RMYKOMSKSLLGKT-LBPRGKRZSA-N -1 0 353.346 -0.842 20 0 FBADRM CC(=O)N1CC[C@@](C)(C(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)C1 ZINC000823549169 604130729 /nfs/dbraw/zinc/13/07/29/604130729.db2.gz BROUTZSIIYSQCX-CXAGYDPISA-N -1 0 368.434 -0.133 20 0 FBADRM CC(=O)N1CC[C@](C)(C(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)C1 ZINC000823549170 604130782 /nfs/dbraw/zinc/13/07/82/604130782.db2.gz BROUTZSIIYSQCX-DYVFJYSZSA-N -1 0 368.434 -0.133 20 0 FBADRM CC(=O)N1CC[C@](C)(C(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)C1 ZINC000823549171 604130672 /nfs/dbraw/zinc/13/06/72/604130672.db2.gz BROUTZSIIYSQCX-GUYCJALGSA-N -1 0 368.434 -0.133 20 0 FBADRM CC(=O)N1CC[C@@](C)(C(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)C1 ZINC000823549172 604130876 /nfs/dbraw/zinc/13/08/76/604130876.db2.gz BROUTZSIIYSQCX-SUMWQHHRSA-N -1 0 368.434 -0.133 20 0 FBADRM CC(=O)N1CCC(NC(=O)COC(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823549410 605204832 /nfs/dbraw/zinc/20/48/32/605204832.db2.gz FNEDDJAZFLXPHJ-GFCCVEGCSA-N -1 0 357.363 -0.965 20 0 FBADRM CC(=O)N1CCC(NC(=O)COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823549414 605204636 /nfs/dbraw/zinc/20/46/36/605204636.db2.gz FNEDDJAZFLXPHJ-LBPRGKRZSA-N -1 0 357.363 -0.965 20 0 FBADRM CC(=O)N1CCC(NC(=O)CN2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)CC1 ZINC000823549668 604598073 /nfs/dbraw/zinc/59/80/73/604598073.db2.gz IUBMJFXLYARBMI-BXUZGUMPSA-N -1 0 356.423 -0.530 20 0 FBADRM CC(=O)N1CCC(NC(=O)CN2CCO[C@H]([C@H](C)NC(=O)[O-])C2)CC1 ZINC000823549671 604597936 /nfs/dbraw/zinc/59/79/36/604597936.db2.gz IUBMJFXLYARBMI-FZMZJTMJSA-N -1 0 356.423 -0.530 20 0 FBADRM CC(=O)N1CCC(NC(=O)CN2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)CC1 ZINC000823549673 604598187 /nfs/dbraw/zinc/59/81/87/604598187.db2.gz IUBMJFXLYARBMI-RISCZKNCSA-N -1 0 356.423 -0.530 20 0 FBADRM CC(=O)N1CCC(NC(=O)CN2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)CC1 ZINC000823549675 604598022 /nfs/dbraw/zinc/59/80/22/604598022.db2.gz IUBMJFXLYARBMI-SMDDNHRTSA-N -1 0 356.423 -0.530 20 0 FBADRM CC(=O)N1CCC(NC(=O)COC(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000823549919 603446121 /nfs/dbraw/zinc/44/61/21/603446121.db2.gz MAZYUCDKLATEJG-UHFFFAOYSA-N -1 0 357.363 -0.965 20 0 FBADRM CC(=O)N1CCC(NC(=O)COC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823550110 605224040 /nfs/dbraw/zinc/22/40/40/605224040.db2.gz MXEDOCMOUZFBCW-CYBMUJFWSA-N -1 0 371.390 -0.574 20 0 FBADRM CC(=O)N1CCC(NC(=O)COC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823550111 605223998 /nfs/dbraw/zinc/22/39/98/605223998.db2.gz MXEDOCMOUZFBCW-ZDUSSCGKSA-N -1 0 371.390 -0.574 20 0 FBADRM CC(=O)N1CCC[C@@H](C(=O)Nc2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)C1 ZINC000823550356 603955006 /nfs/dbraw/zinc/95/50/06/603955006.db2.gz QBRSGESRXYTJMR-LLVKDONJSA-N -1 0 365.394 -0.198 20 0 FBADRM CC(=O)N1CCC[C@H](C(=O)Nc2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)C1 ZINC000823550357 603955102 /nfs/dbraw/zinc/95/51/02/603955102.db2.gz QBRSGESRXYTJMR-NSHDSACASA-N -1 0 365.394 -0.198 20 0 FBADRM CC(=O)N1CC[C@](C)(C(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000823550568 604110268 /nfs/dbraw/zinc/11/02/68/604110268.db2.gz UJYKMNVARBOEJS-INIZCTEOSA-N -1 0 354.407 -0.475 20 0 FBADRM CC(=O)N1CC[C@@](C)(C(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000823550569 604110143 /nfs/dbraw/zinc/11/01/43/604110143.db2.gz UJYKMNVARBOEJS-MRXNPFEDSA-N -1 0 354.407 -0.475 20 0 FBADRM CC(=O)N1CCC(NC(=O)COC(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000823550644 603903256 /nfs/dbraw/zinc/90/32/56/603903256.db2.gz VQNQCMPIYAPJEO-GFCCVEGCSA-N -1 0 357.363 -0.965 20 0 FBADRM CC(=O)N1CCC(NC(=O)COC(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000823550645 603903307 /nfs/dbraw/zinc/90/33/07/603903307.db2.gz VQNQCMPIYAPJEO-LBPRGKRZSA-N -1 0 357.363 -0.965 20 0 FBADRM CC(=O)N1CCC(NC(=O)COC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000823550847 603796284 /nfs/dbraw/zinc/79/62/84/603796284.db2.gz ZXEPRSCNSTYDCP-HNNXBMFYSA-N -1 0 359.354 -0.251 20 0 FBADRM CC(=O)N1CCC(NC(=O)COC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000823550850 603796290 /nfs/dbraw/zinc/79/62/90/603796290.db2.gz ZXEPRSCNSTYDCP-OAHLLOKOSA-N -1 0 359.354 -0.251 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC[C@@H]2CNC(=O)[O-])CC1 ZINC000823555125 603774260 /nfs/dbraw/zinc/77/42/60/603774260.db2.gz APALMRGPQOLOSS-CYBMUJFWSA-N -1 0 369.422 -0.491 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC[C@H]2CNC(=O)[O-])CC1 ZINC000823555129 603774036 /nfs/dbraw/zinc/77/40/36/603774036.db2.gz APALMRGPQOLOSS-ZDUSSCGKSA-N -1 0 369.422 -0.491 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000823555184 603784793 /nfs/dbraw/zinc/78/47/93/603784793.db2.gz AZQBTWLDSGVZRA-BMIGLBTASA-N -1 0 359.354 -0.299 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000823555186 603785171 /nfs/dbraw/zinc/78/51/71/603785171.db2.gz AZQBTWLDSGVZRA-BONVTDFDSA-N -1 0 359.354 -0.299 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000823555188 603784825 /nfs/dbraw/zinc/78/48/25/603784825.db2.gz AZQBTWLDSGVZRA-MEBBXXQBSA-N -1 0 359.354 -0.299 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000823555189 603784897 /nfs/dbraw/zinc/78/48/97/603784897.db2.gz AZQBTWLDSGVZRA-ZUZCIYMTSA-N -1 0 359.354 -0.299 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000823555223 603885519 /nfs/dbraw/zinc/88/55/19/603885519.db2.gz BKQFRQVVDIWHBI-HNNXBMFYSA-N -1 0 358.370 -0.725 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000823555224 603885531 /nfs/dbraw/zinc/88/55/31/603885531.db2.gz BKQFRQVVDIWHBI-OAHLLOKOSA-N -1 0 358.370 -0.725 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)CC1 ZINC000823555399 605706570 /nfs/dbraw/zinc/70/65/70/605706570.db2.gz CFPNRMJXWDSVKV-CYBMUJFWSA-N -1 0 356.423 -0.134 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@@H](C)ON=C(N)[C@H](C)CN(C)C(=O)[O-])CC1 ZINC000823555776 603779285 /nfs/dbraw/zinc/77/92/85/603779285.db2.gz FZMBLIVERUSCBU-GHMZBOCLSA-N -1 0 357.411 -0.190 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@H](C)ON=C(N)[C@H](C)CN(C)C(=O)[O-])CC1 ZINC000823555779 603779277 /nfs/dbraw/zinc/77/92/77/603779277.db2.gz FZMBLIVERUSCBU-MNOVXSKESA-N -1 0 357.411 -0.190 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@H](C)ON=C(N)[C@@H](C)CN(C)C(=O)[O-])CC1 ZINC000823555781 603778982 /nfs/dbraw/zinc/77/89/82/603778982.db2.gz FZMBLIVERUSCBU-QWRGUYRKSA-N -1 0 357.411 -0.190 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@@H](C)ON=C(N)[C@@H](C)CN(C)C(=O)[O-])CC1 ZINC000823555782 603779315 /nfs/dbraw/zinc/77/93/15/603779315.db2.gz FZMBLIVERUSCBU-WDEREUQCSA-N -1 0 357.411 -0.190 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)CC1 ZINC000823555821 603659846 /nfs/dbraw/zinc/65/98/46/603659846.db2.gz HFNYJWRFCDFHCL-CYBMUJFWSA-N -1 0 369.422 -0.539 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@H](N(C)C(=O)[O-])C2)CC1 ZINC000823555822 603660238 /nfs/dbraw/zinc/66/02/38/603660238.db2.gz HFNYJWRFCDFHCL-ZDUSSCGKSA-N -1 0 369.422 -0.539 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)NCC(C)(C)NC(=O)[O-])CC1 ZINC000823555829 604146174 /nfs/dbraw/zinc/14/61/74/604146174.db2.gz HLEATKADNXYFIH-UHFFFAOYSA-N -1 0 357.411 -0.587 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823556103 605223540 /nfs/dbraw/zinc/22/35/40/605223540.db2.gz JQWWGKUIERGXAG-AAEUAGOBSA-N -1 0 371.390 -0.622 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823556106 605224035 /nfs/dbraw/zinc/22/40/35/605224035.db2.gz JQWWGKUIERGXAG-DGCLKSJQSA-N -1 0 371.390 -0.622 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823556109 605223952 /nfs/dbraw/zinc/22/39/52/605223952.db2.gz JQWWGKUIERGXAG-WCQYABFASA-N -1 0 371.390 -0.622 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823556112 605223442 /nfs/dbraw/zinc/22/34/42/605223442.db2.gz JQWWGKUIERGXAG-YPMHNXCESA-N -1 0 371.390 -0.622 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)C[C@H]2CCCN2C(=O)[O-])CC1 ZINC000823556194 602884792 /nfs/dbraw/zinc/88/47/92/602884792.db2.gz KBIZIHMABJBZTG-CYBMUJFWSA-N -1 0 354.407 -0.284 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)C[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000823556195 602884476 /nfs/dbraw/zinc/88/44/76/602884476.db2.gz KBIZIHMABJBZTG-ZDUSSCGKSA-N -1 0 354.407 -0.284 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(C(=O)[O-])[C@H](C)C2)CC1 ZINC000823556196 603774341 /nfs/dbraw/zinc/77/43/41/603774341.db2.gz KCYUXWMEGZYRII-GFCCVEGCSA-N -1 0 369.422 -0.539 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)CC1 ZINC000823556198 603774168 /nfs/dbraw/zinc/77/41/68/603774168.db2.gz KCYUXWMEGZYRII-LBPRGKRZSA-N -1 0 369.422 -0.539 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)CC1 ZINC000823556206 603931499 /nfs/dbraw/zinc/93/14/99/603931499.db2.gz KHMNHAFJLVQHSR-INIZCTEOSA-N -1 0 354.407 -0.427 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@]2(C)CCN(C(=O)[O-])C2)CC1 ZINC000823556210 603931557 /nfs/dbraw/zinc/93/15/57/603931557.db2.gz KHMNHAFJLVQHSR-MRXNPFEDSA-N -1 0 354.407 -0.427 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)CC2(NC(=O)[O-])CCC2)CC1 ZINC000823556413 604157087 /nfs/dbraw/zinc/15/70/87/604157087.db2.gz NDGZGBLTMMAVMP-UHFFFAOYSA-N -1 0 354.407 -0.236 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CN(CC2CC2)C(=O)[O-])CC1 ZINC000823556681 603986000 /nfs/dbraw/zinc/98/60/00/603986000.db2.gz QKARBWQOBKXQHF-LLVKDONJSA-N -1 0 355.391 -0.001 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CN(CC2CC2)C(=O)[O-])CC1 ZINC000823556683 603986251 /nfs/dbraw/zinc/98/62/51/603986251.db2.gz QKARBWQOBKXQHF-NSHDSACASA-N -1 0 355.391 -0.001 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)c2ccc(CNC(=O)[O-])o2)CC1 ZINC000823556705 602884732 /nfs/dbraw/zinc/88/47/32/602884732.db2.gz QPDVYBIVIZUDHF-UHFFFAOYSA-N -1 0 366.374 -0.142 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@H](C)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)CC1 ZINC000823556952 604628814 /nfs/dbraw/zinc/62/88/14/604628814.db2.gz SQMFQJVFBXWOQG-DYEKYZERSA-N -1 0 356.423 -0.578 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@H](C)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)CC1 ZINC000823556953 604629303 /nfs/dbraw/zinc/62/93/03/604629303.db2.gz SQMFQJVFBXWOQG-MBNYWOFBSA-N -1 0 356.423 -0.578 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@H](C)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)CC1 ZINC000823556954 604629232 /nfs/dbraw/zinc/62/92/32/604629232.db2.gz SQMFQJVFBXWOQG-OBJOEFQTSA-N -1 0 356.423 -0.578 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@H](C)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)CC1 ZINC000823556955 604629138 /nfs/dbraw/zinc/62/91/38/604629138.db2.gz SQMFQJVFBXWOQG-SGMGOOAPSA-N -1 0 356.423 -0.578 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)CN(CC2CC2)C(=O)[O-])CC1 ZINC000823557385 602884707 /nfs/dbraw/zinc/88/47/07/602884707.db2.gz WKYJCOAKVYVSDB-UHFFFAOYSA-N -1 0 354.407 -0.427 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@]2(C)CCN(C(=O)[O-])C2)CC1 ZINC000823557503 604112087 /nfs/dbraw/zinc/11/20/87/604112087.db2.gz XGNQMWFWPKKXIR-BDJLRTHQSA-N -1 0 355.391 -0.001 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)CC1 ZINC000823557505 604112142 /nfs/dbraw/zinc/11/21/42/604112142.db2.gz XGNQMWFWPKKXIR-BZNIZROVSA-N -1 0 355.391 -0.001 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@]2(C)CCN(C(=O)[O-])C2)CC1 ZINC000823557512 604112006 /nfs/dbraw/zinc/11/20/06/604112006.db2.gz XGNQMWFWPKKXIR-MEDUHNTESA-N -1 0 355.391 -0.001 20 0 FBADRM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)CC1 ZINC000823557514 604112100 /nfs/dbraw/zinc/11/21/00/604112100.db2.gz XGNQMWFWPKKXIR-ZBEGNZNMSA-N -1 0 355.391 -0.001 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000823557651 603581535 /nfs/dbraw/zinc/58/15/35/603581535.db2.gz YHDZURRUVDPDRO-CHWSQXEVSA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000823557654 603581323 /nfs/dbraw/zinc/58/13/23/603581323.db2.gz YHDZURRUVDPDRO-OLZOCXBDSA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000823557656 603581788 /nfs/dbraw/zinc/58/17/88/603581788.db2.gz YHDZURRUVDPDRO-QWHCGFSZSA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000823557658 603581807 /nfs/dbraw/zinc/58/18/07/603581807.db2.gz YHDZURRUVDPDRO-STQMWFEESA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)NC(C)(C)CNC(=O)[O-])CC1 ZINC000823557677 605630149 /nfs/dbraw/zinc/63/01/49/605630149.db2.gz YOQMMROIXUGDEM-UHFFFAOYSA-N -1 0 357.411 -0.587 20 0 FBADRM CC(=O)N1CCN(C(=O)COC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000823560536 605331393 /nfs/dbraw/zinc/33/13/93/605331393.db2.gz ASHKZDHYOPHBPK-CYBMUJFWSA-N -1 0 371.390 -0.621 20 0 FBADRM CC(=O)N1CCN(C(=O)COC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000823560537 605331012 /nfs/dbraw/zinc/33/10/12/605331012.db2.gz ASHKZDHYOPHBPK-ZDUSSCGKSA-N -1 0 371.390 -0.621 20 0 FBADRM CC(=O)N1CCN(C(=O)COC(=O)c2ccc(CNC(=O)[O-])o2)CC1 ZINC000823560618 604010225 /nfs/dbraw/zinc/01/02/25/604010225.db2.gz CKRBPHOGFBVYGC-UHFFFAOYSA-N -1 0 353.331 -0.105 20 0 FBADRM CC(=O)N1CCN([C@H]2CN(C(=O)COC3CN(C(=O)[O-])C3)C[C@H]2C)CC1 ZINC000823560634 603833778 /nfs/dbraw/zinc/83/37/78/603833778.db2.gz CYRZJIUFVHEAHO-DOMZBBRYSA-N -1 0 368.434 -0.624 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)COC3CN(C(=O)[O-])C3)C[C@H]2C)CC1 ZINC000823560635 603833774 /nfs/dbraw/zinc/83/37/74/603833774.db2.gz CYRZJIUFVHEAHO-IUODEOHRSA-N -1 0 368.434 -0.624 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)COC3CN(C(=O)[O-])C3)C[C@@H]2C)CC1 ZINC000823560636 603833843 /nfs/dbraw/zinc/83/38/43/603833843.db2.gz CYRZJIUFVHEAHO-SWLSCSKDSA-N -1 0 368.434 -0.624 20 0 FBADRM CC(=O)N1CCN([C@H]2CN(C(=O)COC3CN(C(=O)[O-])C3)C[C@@H]2C)CC1 ZINC000823560637 603833688 /nfs/dbraw/zinc/83/36/88/603833688.db2.gz CYRZJIUFVHEAHO-WFASDCNBSA-N -1 0 368.434 -0.624 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)COCCNC(=O)[O-])C[C@@H]2C)CC1 ZINC000823560695 603791650 /nfs/dbraw/zinc/79/16/50/603791650.db2.gz FCDLCESDCQIJOX-GXTWGEPZSA-N -1 0 356.423 -0.718 20 0 FBADRM CC(=O)N1CCN([C@H]2CN(C(=O)COCCNC(=O)[O-])C[C@@H]2C)CC1 ZINC000823560696 603792012 /nfs/dbraw/zinc/79/20/12/603792012.db2.gz FCDLCESDCQIJOX-JSGCOSHPSA-N -1 0 356.423 -0.718 20 0 FBADRM CC(=O)N1CCN([C@H]2CN(C(=O)COCCNC(=O)[O-])C[C@H]2C)CC1 ZINC000823560697 603792091 /nfs/dbraw/zinc/79/20/91/603792091.db2.gz FCDLCESDCQIJOX-OCCSQVGLSA-N -1 0 356.423 -0.718 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)COCCNC(=O)[O-])C[C@H]2C)CC1 ZINC000823560698 603792022 /nfs/dbraw/zinc/79/20/22/603792022.db2.gz FCDLCESDCQIJOX-TZMCWYRMSA-N -1 0 356.423 -0.718 20 0 FBADRM CC(=O)N1CCN([C@H]2CN(C(=O)CC3CN(C(=O)[O-])C3)C[C@H]2C)CC1 ZINC000823560703 603834731 /nfs/dbraw/zinc/83/47/31/603834731.db2.gz FFMCHRKFYRSJSG-DOMZBBRYSA-N -1 0 352.435 -0.003 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)CC3CN(C(=O)[O-])C3)C[C@H]2C)CC1 ZINC000823560704 603834981 /nfs/dbraw/zinc/83/49/81/603834981.db2.gz FFMCHRKFYRSJSG-IUODEOHRSA-N -1 0 352.435 -0.003 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)CC3CN(C(=O)[O-])C3)C[C@@H]2C)CC1 ZINC000823560705 603834644 /nfs/dbraw/zinc/83/46/44/603834644.db2.gz FFMCHRKFYRSJSG-SWLSCSKDSA-N -1 0 352.435 -0.003 20 0 FBADRM CC(=O)N1CCN([C@H]2CN(C(=O)CC3CN(C(=O)[O-])C3)C[C@@H]2C)CC1 ZINC000823560706 603834791 /nfs/dbraw/zinc/83/47/91/603834791.db2.gz FFMCHRKFYRSJSG-WFASDCNBSA-N -1 0 352.435 -0.003 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)C[C@H]2C)CC1 ZINC000823560956 604892226 /nfs/dbraw/zinc/89/22/26/604892226.db2.gz HNEBJRLCSWHNOK-BPLDGKMQSA-N -1 0 368.434 -0.624 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)C[C@@H]2C)CC1 ZINC000823560957 604892357 /nfs/dbraw/zinc/89/23/57/604892357.db2.gz HNEBJRLCSWHNOK-CFVMTHIKSA-N -1 0 368.434 -0.624 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)C[C@@H]2C)CC1 ZINC000823560958 604892127 /nfs/dbraw/zinc/89/21/27/604892127.db2.gz HNEBJRLCSWHNOK-NWANDNLSSA-N -1 0 368.434 -0.624 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)C[C@H]2C)CC1 ZINC000823560960 604892283 /nfs/dbraw/zinc/89/22/83/604892283.db2.gz HNEBJRLCSWHNOK-YUELXQCFSA-N -1 0 368.434 -0.624 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])C[C@@H]2C)CC1 ZINC000823560997 603834962 /nfs/dbraw/zinc/83/49/62/603834962.db2.gz HXWAPXNFARCBME-CYUUQNCZSA-N -1 0 368.434 -0.889 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])C[C@@H]2C)CC1 ZINC000823561001 603834839 /nfs/dbraw/zinc/83/48/39/603834839.db2.gz HXWAPXNFARCBME-PMOUVXMZSA-N -1 0 368.434 -0.889 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])C[C@H]2C)CC1 ZINC000823561002 603834752 /nfs/dbraw/zinc/83/47/52/603834752.db2.gz HXWAPXNFARCBME-REBRKWNGSA-N -1 0 368.434 -0.889 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])C[C@H]2C)CC1 ZINC000823561004 603834599 /nfs/dbraw/zinc/83/45/99/603834599.db2.gz HXWAPXNFARCBME-UQOMUDLDSA-N -1 0 368.434 -0.889 20 0 FBADRM CC(=O)N1CCN(CCNC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000823561249 605264094 /nfs/dbraw/zinc/26/40/94/605264094.db2.gz KZWGREAORKOKJD-AWEZNQCLSA-N -1 0 356.423 -0.574 20 0 FBADRM CC(=O)N1CCN(CCNC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000823561251 605263969 /nfs/dbraw/zinc/26/39/69/605263969.db2.gz KZWGREAORKOKJD-CQSZACIVSA-N -1 0 356.423 -0.574 20 0 FBADRM CC(=O)N1CCN(C(=O)NCCCN2CCN(C(=O)[O-])CC2)[C@H](C)C1 ZINC000823561798 604435298 /nfs/dbraw/zinc/43/52/98/604435298.db2.gz OLJMSXCPCRDTCK-CYBMUJFWSA-N -1 0 355.439 -0.066 20 0 FBADRM CC(=O)N1CCN(C(=O)NCCCN2CCN(C(=O)[O-])CC2)[C@@H](C)C1 ZINC000823561799 604435253 /nfs/dbraw/zinc/43/52/53/604435253.db2.gz OLJMSXCPCRDTCK-ZDUSSCGKSA-N -1 0 355.439 -0.066 20 0 FBADRM CC(=O)N1CCN(C(=O)COC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000823562092 603913777 /nfs/dbraw/zinc/91/37/77/603913777.db2.gz QVKDPZKYEHHSHU-CYBMUJFWSA-N -1 0 371.390 -0.621 20 0 FBADRM CC(=O)N1CCN(C(=O)COC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000823562093 603913830 /nfs/dbraw/zinc/91/38/30/603913830.db2.gz QVKDPZKYEHHSHU-ZDUSSCGKSA-N -1 0 371.390 -0.621 20 0 FBADRM CC(=O)N1CCN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)[C@H](C)C1 ZINC000823562479 604426175 /nfs/dbraw/zinc/42/61/75/604426175.db2.gz WCJFNTLDMVRLGZ-LLVKDONJSA-N -1 0 355.395 -0.929 20 0 FBADRM CC(=O)N1CCN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)[C@@H](C)C1 ZINC000823562482 604426220 /nfs/dbraw/zinc/42/62/20/604426220.db2.gz WCJFNTLDMVRLGZ-NSHDSACASA-N -1 0 355.395 -0.929 20 0 FBADRM CC(=O)N1CCN(CCNC(=O)C[C@@H]2CSCCN2C(=O)[O-])CC1 ZINC000823562798 605605962 /nfs/dbraw/zinc/60/59/62/605605962.db2.gz YGXHICPVZOETJM-CYBMUJFWSA-N -1 0 358.464 -0.248 20 0 FBADRM CC(=O)N1CCN(CCNC(=O)C[C@H]2CSCCN2C(=O)[O-])CC1 ZINC000823562799 605606090 /nfs/dbraw/zinc/60/60/90/605606090.db2.gz YGXHICPVZOETJM-ZDUSSCGKSA-N -1 0 358.464 -0.248 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)[C@H]3COCCN3C(=O)[O-])C[C@H]2C)CC1 ZINC000823562801 603792684 /nfs/dbraw/zinc/79/26/84/603792684.db2.gz YIOCXTWSLJNUHO-BPLDGKMQSA-N -1 0 368.434 -0.624 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)[C@@H]3COCCN3C(=O)[O-])C[C@@H]2C)CC1 ZINC000823562802 603792914 /nfs/dbraw/zinc/79/29/14/603792914.db2.gz YIOCXTWSLJNUHO-CFVMTHIKSA-N -1 0 368.434 -0.624 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)[C@H]3COCCN3C(=O)[O-])C[C@@H]2C)CC1 ZINC000823562803 603792770 /nfs/dbraw/zinc/79/27/70/603792770.db2.gz YIOCXTWSLJNUHO-NWANDNLSSA-N -1 0 368.434 -0.624 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)[C@@H]3COCCN3C(=O)[O-])C[C@H]2C)CC1 ZINC000823562804 603792677 /nfs/dbraw/zinc/79/26/77/603792677.db2.gz YIOCXTWSLJNUHO-YUELXQCFSA-N -1 0 368.434 -0.624 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)NC3CN(C(=O)[O-])C3)C[C@H]2C)CC1 ZINC000823562805 604624942 /nfs/dbraw/zinc/62/49/42/604624942.db2.gz YJBLDXLWHBIZAI-BXUZGUMPSA-N -1 0 353.423 -0.457 20 0 FBADRM CC(=O)N1CCN([C@H]2CN(C(=O)NC3CN(C(=O)[O-])C3)C[C@@H]2C)CC1 ZINC000823562806 604624846 /nfs/dbraw/zinc/62/48/46/604624846.db2.gz YJBLDXLWHBIZAI-FZMZJTMJSA-N -1 0 353.423 -0.457 20 0 FBADRM CC(=O)N1CCN([C@H]2CN(C(=O)NC3CN(C(=O)[O-])C3)C[C@H]2C)CC1 ZINC000823562807 604624377 /nfs/dbraw/zinc/62/43/77/604624377.db2.gz YJBLDXLWHBIZAI-RISCZKNCSA-N -1 0 353.423 -0.457 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)NC3CN(C(=O)[O-])C3)C[C@@H]2C)CC1 ZINC000823562808 604624935 /nfs/dbraw/zinc/62/49/35/604624935.db2.gz YJBLDXLWHBIZAI-SMDDNHRTSA-N -1 0 353.423 -0.457 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)[C@H]3CCN(C(=O)[O-])C3)C[C@@H]2C)CC1 ZINC000823563046 603780399 /nfs/dbraw/zinc/78/03/99/603780399.db2.gz ZJTYGHXWXUXRKB-AEGPPILISA-N -1 0 352.435 -0.003 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)[C@@H]3CCN(C(=O)[O-])C3)C[C@H]2C)CC1 ZINC000823563047 603780003 /nfs/dbraw/zinc/78/00/03/603780003.db2.gz ZJTYGHXWXUXRKB-BPLDGKMQSA-N -1 0 352.435 -0.003 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)[C@@H]3CCN(C(=O)[O-])C3)C[C@@H]2C)CC1 ZINC000823563048 603780213 /nfs/dbraw/zinc/78/02/13/603780213.db2.gz ZJTYGHXWXUXRKB-NWANDNLSSA-N -1 0 352.435 -0.003 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)[C@H]3CCN(C(=O)[O-])C3)C[C@H]2C)CC1 ZINC000823563049 603780262 /nfs/dbraw/zinc/78/02/62/603780262.db2.gz ZJTYGHXWXUXRKB-VHDGCEQUSA-N -1 0 352.435 -0.003 20 0 FBADRM CC(=O)N1CCN(C(=O)COC(=O)C[C@@H]2CSCCN2C(=O)[O-])CC1 ZINC000823563065 605826302 /nfs/dbraw/zinc/82/63/02/605826302.db2.gz ZNSZCQKGIWOYII-GFCCVEGCSA-N -1 0 373.431 -0.294 20 0 FBADRM CC(=O)N1CCN(C(=O)COC(=O)C[C@H]2CSCCN2C(=O)[O-])CC1 ZINC000823563066 605826506 /nfs/dbraw/zinc/82/65/06/605826506.db2.gz ZNSZCQKGIWOYII-LBPRGKRZSA-N -1 0 373.431 -0.294 20 0 FBADRM CC(=O)N[C@H](C(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1)C(C)C ZINC000823567421 603960873 /nfs/dbraw/zinc/96/08/73/603960873.db2.gz GRMKCQSNAKBYGV-JTQLQIEISA-N -1 0 353.383 -0.296 20 0 FBADRM CC(=O)N[C@@H](C(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1)C(C)C ZINC000823567429 603960704 /nfs/dbraw/zinc/96/07/04/603960704.db2.gz GRMKCQSNAKBYGV-SNVBAGLBSA-N -1 0 353.383 -0.296 20 0 FBADRM O=S(=O)([N-]C[C@@H]1COCCO1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823573186 606887573 /nfs/dbraw/zinc/88/75/73/606887573.db2.gz RSMIGMFGSUDZCZ-MRVPVSSYSA-N -1 0 361.330 -0.161 20 0 FBADRM O=S(=O)([N-]C[C@H]1COCCO1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823573187 606887521 /nfs/dbraw/zinc/88/75/21/606887521.db2.gz RSMIGMFGSUDZCZ-QMMMGPOBSA-N -1 0 361.330 -0.161 20 0 FBADRM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000823574262 605211125 /nfs/dbraw/zinc/21/11/25/605211125.db2.gz CMIRTQMAYFXKIM-NEPJUHHUSA-N -1 0 357.363 -0.965 20 0 FBADRM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000823574263 605211393 /nfs/dbraw/zinc/21/13/93/605211393.db2.gz CMIRTQMAYFXKIM-NWDGAFQWSA-N -1 0 357.363 -0.965 20 0 FBADRM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000823574264 605211595 /nfs/dbraw/zinc/21/15/95/605211595.db2.gz CMIRTQMAYFXKIM-RYUDHWBXSA-N -1 0 357.363 -0.965 20 0 FBADRM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000823574265 605211276 /nfs/dbraw/zinc/21/12/76/605211276.db2.gz CMIRTQMAYFXKIM-VXGBXAGGSA-N -1 0 357.363 -0.965 20 0 FBADRM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000823574540 603786662 /nfs/dbraw/zinc/78/66/62/603786662.db2.gz GLXDCVJCZXDYQN-ABAIWWIYSA-N -1 0 359.354 -0.251 20 0 FBADRM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000823574541 603786505 /nfs/dbraw/zinc/78/65/05/603786505.db2.gz GLXDCVJCZXDYQN-IAQYHMDHSA-N -1 0 359.354 -0.251 20 0 FBADRM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)[C@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000823574542 603786770 /nfs/dbraw/zinc/78/67/70/603786770.db2.gz GLXDCVJCZXDYQN-NHYWBVRUSA-N -1 0 359.354 -0.251 20 0 FBADRM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000823574543 603786531 /nfs/dbraw/zinc/78/65/31/603786531.db2.gz GLXDCVJCZXDYQN-XHDPSFHLSA-N -1 0 359.354 -0.251 20 0 FBADRM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000823574544 603442860 /nfs/dbraw/zinc/44/28/60/603442860.db2.gz GNOACYMAKQHEQH-LLVKDONJSA-N -1 0 357.363 -0.965 20 0 FBADRM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000823574545 603442658 /nfs/dbraw/zinc/44/26/58/603442658.db2.gz GNOACYMAKQHEQH-NSHDSACASA-N -1 0 357.363 -0.965 20 0 FBADRM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000823575162 603899383 /nfs/dbraw/zinc/89/93/83/603899383.db2.gz MVTGXHOFTALGJZ-NEPJUHHUSA-N -1 0 357.363 -0.965 20 0 FBADRM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000823575163 603899463 /nfs/dbraw/zinc/89/94/63/603899463.db2.gz MVTGXHOFTALGJZ-NWDGAFQWSA-N -1 0 357.363 -0.965 20 0 FBADRM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000823575164 603899439 /nfs/dbraw/zinc/89/94/39/603899439.db2.gz MVTGXHOFTALGJZ-RYUDHWBXSA-N -1 0 357.363 -0.965 20 0 FBADRM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000823575165 603899411 /nfs/dbraw/zinc/89/94/11/603899411.db2.gz MVTGXHOFTALGJZ-VXGBXAGGSA-N -1 0 357.363 -0.965 20 0 FBADRM CC(=O)N[C@@H]1CCCN(C(=O)CN2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)C1 ZINC000823575176 604631514 /nfs/dbraw/zinc/63/15/14/604631514.db2.gz NAXGCXXSRPUTDY-BNOWGMLFSA-N -1 0 356.423 -0.530 20 0 FBADRM CC(=O)N[C@@H]1CCCN(C(=O)CN2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)C1 ZINC000823575177 604631662 /nfs/dbraw/zinc/63/16/62/604631662.db2.gz NAXGCXXSRPUTDY-IACUBPJLSA-N -1 0 356.423 -0.530 20 0 FBADRM CC(=O)N[C@@H]1CCCN(C(=O)CN2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)C1 ZINC000823575178 604631747 /nfs/dbraw/zinc/63/17/47/604631747.db2.gz NAXGCXXSRPUTDY-MRVWCRGKSA-N -1 0 356.423 -0.530 20 0 FBADRM CC(=O)N[C@@H]1CCCN(C(=O)CN2CCO[C@H]([C@H](C)NC(=O)[O-])C2)C1 ZINC000823575179 604631484 /nfs/dbraw/zinc/63/14/84/604631484.db2.gz NAXGCXXSRPUTDY-YUTCNCBUSA-N -1 0 356.423 -0.530 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C ZINC000823575197 605858184 /nfs/dbraw/zinc/85/81/84/605858184.db2.gz NNUKAADHTNAJHT-CYZMBNFOSA-N -1 0 354.407 -0.239 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000823575198 605858234 /nfs/dbraw/zinc/85/82/34/605858234.db2.gz NNUKAADHTNAJHT-KGYLQXTDSA-N -1 0 354.407 -0.239 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000823575199 605858286 /nfs/dbraw/zinc/85/82/86/605858286.db2.gz NNUKAADHTNAJHT-RAIGVLPGSA-N -1 0 354.407 -0.239 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C ZINC000823575200 605858352 /nfs/dbraw/zinc/85/83/52/605858352.db2.gz NNUKAADHTNAJHT-WCFLWFBJSA-N -1 0 354.407 -0.239 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000823575274 604241218 /nfs/dbraw/zinc/24/12/18/604241218.db2.gz OSROHYJWOGAGBS-UHFFFAOYSA-N -1 0 354.407 -0.380 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000823575285 604456318 /nfs/dbraw/zinc/45/63/18/604456318.db2.gz OTVQXWQDUZNZMS-JTQLQIEISA-N -1 0 350.375 -0.116 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000823575287 604456160 /nfs/dbraw/zinc/45/61/60/604456160.db2.gz OTVQXWQDUZNZMS-SNVBAGLBSA-N -1 0 350.375 -0.116 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823575461 604017136 /nfs/dbraw/zinc/01/71/36/604017136.db2.gz RDJIGIZIVBDANY-HZSPNIEDSA-N -1 0 366.418 -0.143 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823575462 604017113 /nfs/dbraw/zinc/01/71/13/604017113.db2.gz RDJIGIZIVBDANY-RDBSUJKOSA-N -1 0 366.418 -0.143 20 0 FBADRM CC(=O)NC[C@@H]1CCCN(CN2C[C@@H]3CN(C(=O)[O-])CCN3C2=O)C1 ZINC000823575506 603598522 /nfs/dbraw/zinc/59/85/22/603598522.db2.gz SBSYATOCUJNKEP-KBPBESRZSA-N -1 0 353.423 -0.108 20 0 FBADRM CC(=O)NC[C@H]1CCCN(CN2C[C@@H]3CN(C(=O)[O-])CCN3C2=O)C1 ZINC000823575507 603599104 /nfs/dbraw/zinc/59/91/04/603599104.db2.gz SBSYATOCUJNKEP-KGLIPLIRSA-N -1 0 353.423 -0.108 20 0 FBADRM CC(=O)NC[C@@H]1CCCN(CN2C[C@H]3CN(C(=O)[O-])CCN3C2=O)C1 ZINC000823575508 603598703 /nfs/dbraw/zinc/59/87/03/603598703.db2.gz SBSYATOCUJNKEP-UONOGXRCSA-N -1 0 353.423 -0.108 20 0 FBADRM CC(=O)NC[C@H]1CCCN(CN2C[C@H]3CN(C(=O)[O-])CCN3C2=O)C1 ZINC000823575509 603598434 /nfs/dbraw/zinc/59/84/34/603598434.db2.gz SBSYATOCUJNKEP-ZIAGYGMSSA-N -1 0 353.423 -0.108 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823575517 603467538 /nfs/dbraw/zinc/46/75/38/603467538.db2.gz SJNQBTFPNNSMNP-GFCCVEGCSA-N -1 0 356.423 -0.134 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823575518 603467529 /nfs/dbraw/zinc/46/75/29/603467529.db2.gz SJNQBTFPNNSMNP-LBPRGKRZSA-N -1 0 356.423 -0.134 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)Nc1cc2c(cc1NC(=O)[O-])OCO2 ZINC000823575549 604010895 /nfs/dbraw/zinc/01/08/95/604010895.db2.gz TWRGQVGKFUGKTF-UHFFFAOYSA-N -1 0 352.303 -0.304 20 0 FBADRM CC(=O)N[C@@H]1CCCN(C(=O)CON=C(N)[C@@H](C)CN(C)C(=O)[O-])C1 ZINC000823575602 604267740 /nfs/dbraw/zinc/26/77/40/604267740.db2.gz VAEOYHUWLZCVDA-CMPLNLGQSA-N -1 0 357.411 -0.142 20 0 FBADRM CC(=O)N[C@H]1CCCN(C(=O)CON=C(N)[C@@H](C)CN(C)C(=O)[O-])C1 ZINC000823575603 604267608 /nfs/dbraw/zinc/26/76/08/604267608.db2.gz VAEOYHUWLZCVDA-JQWIXIFHSA-N -1 0 357.411 -0.142 20 0 FBADRM CC(=O)N[C@H]1CCCN(C(=O)CON=C(N)[C@H](C)CN(C)C(=O)[O-])C1 ZINC000823575604 604267601 /nfs/dbraw/zinc/26/76/01/604267601.db2.gz VAEOYHUWLZCVDA-PWSUYJOCSA-N -1 0 357.411 -0.142 20 0 FBADRM CC(=O)N[C@@H]1CCCN(C(=O)CON=C(N)[C@H](C)CN(C)C(=O)[O-])C1 ZINC000823575605 604267612 /nfs/dbraw/zinc/26/76/12/604267612.db2.gz VAEOYHUWLZCVDA-ZYHUDNBSSA-N -1 0 357.411 -0.142 20 0 FBADRM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000823575853 605227442 /nfs/dbraw/zinc/22/74/42/605227442.db2.gz YUJWXBCAZDQYCO-CHWSQXEVSA-N -1 0 371.390 -0.574 20 0 FBADRM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000823575858 605227553 /nfs/dbraw/zinc/22/75/53/605227553.db2.gz YUJWXBCAZDQYCO-OLZOCXBDSA-N -1 0 371.390 -0.574 20 0 FBADRM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000823575860 605227465 /nfs/dbraw/zinc/22/74/65/605227465.db2.gz YUJWXBCAZDQYCO-QWHCGFSZSA-N -1 0 371.390 -0.574 20 0 FBADRM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000823575861 605227368 /nfs/dbraw/zinc/22/73/68/605227368.db2.gz YUJWXBCAZDQYCO-STQMWFEESA-N -1 0 371.390 -0.574 20 0 FBADRM CC(=O)NCC(=O)Nc1cccc(S(=O)(=O)NCCNC(=O)[O-])c1 ZINC000823575882 604180672 /nfs/dbraw/zinc/18/06/72/604180672.db2.gz ZILAQRDJBIVJFM-UHFFFAOYSA-N -1 0 358.376 -0.693 20 0 FBADRM O=S(=O)([N-]CCn1cncn1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823577873 606889527 /nfs/dbraw/zinc/88/95/27/606889527.db2.gz BZVJSTXKNXMVHH-UHFFFAOYSA-N -1 0 356.318 -0.285 20 0 FBADRM O=S(=O)([N-]CCN1CCOCC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823577901 606883780 /nfs/dbraw/zinc/88/37/80/606883780.db2.gz CRNLNMMIRPVKKS-UHFFFAOYSA-N -1 0 374.373 -0.245 20 0 FBADRM O=S(=O)([N-]CCn1ncnn1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823578357 607006382 /nfs/dbraw/zinc/00/63/82/607006382.db2.gz MSTQJNFJJRVKMX-UHFFFAOYSA-N -1 0 357.306 -0.890 20 0 FBADRM O=S(=O)([N-]CCc1nnc[nH]1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823579011 606874095 /nfs/dbraw/zinc/87/40/95/606874095.db2.gz YIVMUABJUCYFJB-UHFFFAOYSA-N -1 0 356.318 -0.216 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000823579469 605789789 /nfs/dbraw/zinc/78/97/89/605789789.db2.gz IMMXLEMFJRETOE-CYBMUJFWSA-N -1 0 354.407 -0.238 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000823579471 605789775 /nfs/dbraw/zinc/78/97/75/605789775.db2.gz IMMXLEMFJRETOE-ZDUSSCGKSA-N -1 0 354.407 -0.238 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000823580037 604260518 /nfs/dbraw/zinc/26/05/18/604260518.db2.gz NDEJDZPQMBBFLF-AAEUAGOBSA-N -1 0 356.423 -0.086 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000823580038 604260479 /nfs/dbraw/zinc/26/04/79/604260479.db2.gz NDEJDZPQMBBFLF-DGCLKSJQSA-N -1 0 356.423 -0.086 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000823580039 604260544 /nfs/dbraw/zinc/26/05/44/604260544.db2.gz NDEJDZPQMBBFLF-WCQYABFASA-N -1 0 356.423 -0.086 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000823580040 604260527 /nfs/dbraw/zinc/26/05/27/604260527.db2.gz NDEJDZPQMBBFLF-YPMHNXCESA-N -1 0 356.423 -0.086 20 0 FBADRM CC(=O)NCC1CCN(CN2C[C@@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000823580798 603598666 /nfs/dbraw/zinc/59/86/66/603598666.db2.gz VUTYMOCZCAZEQZ-AWEZNQCLSA-N -1 0 353.423 -0.108 20 0 FBADRM CC(=O)NCC1CCN(CN2C[C@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000823580799 603598926 /nfs/dbraw/zinc/59/89/26/603598926.db2.gz VUTYMOCZCAZEQZ-CQSZACIVSA-N -1 0 353.423 -0.108 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)[O-] ZINC000823580865 603690204 /nfs/dbraw/zinc/69/02/04/603690204.db2.gz XMSBZIFNGYCKKK-AAEUAGOBSA-N -1 0 356.423 -0.086 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)[O-] ZINC000823580867 603690325 /nfs/dbraw/zinc/69/03/25/603690325.db2.gz XMSBZIFNGYCKKK-DGCLKSJQSA-N -1 0 356.423 -0.086 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N1CCC[C@H](C)[C@H]1CNC(=O)[O-] ZINC000823580870 603690195 /nfs/dbraw/zinc/69/01/95/603690195.db2.gz XMSBZIFNGYCKKK-WCQYABFASA-N -1 0 356.423 -0.086 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)[O-] ZINC000823580873 603690196 /nfs/dbraw/zinc/69/01/96/603690196.db2.gz XMSBZIFNGYCKKK-YPMHNXCESA-N -1 0 356.423 -0.086 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823580886 604026338 /nfs/dbraw/zinc/02/63/38/604026338.db2.gz XOKZDFLQEKRTNF-OLZOCXBDSA-N -1 0 354.407 -0.238 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CCO1 ZINC000823580889 603814364 /nfs/dbraw/zinc/81/43/64/603814364.db2.gz XPEYGIYUKMCKHV-CYBMUJFWSA-N -1 0 356.423 -0.576 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CCO1 ZINC000823580892 603814381 /nfs/dbraw/zinc/81/43/81/603814381.db2.gz XPEYGIYUKMCKHV-ZDUSSCGKSA-N -1 0 356.423 -0.576 20 0 FBADRM CC(=O)N[C@@H](CC(=O)N1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-])C(N)=O ZINC000823584691 603711084 /nfs/dbraw/zinc/71/10/84/603711084.db2.gz DIRAMRGBCZLWFY-AVGNSLFASA-N -1 0 354.407 -0.110 20 0 FBADRM CC(=O)N[C@@H](CC(=O)N1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-])C(N)=O ZINC000823584697 603711187 /nfs/dbraw/zinc/71/11/87/603711187.db2.gz DIRAMRGBCZLWFY-RWMBFGLXSA-N -1 0 354.407 -0.110 20 0 FBADRM CC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-])C(N)=O ZINC000823584700 603711504 /nfs/dbraw/zinc/71/15/04/603711504.db2.gz DIRAMRGBCZLWFY-XQQFMLRXSA-N -1 0 354.407 -0.110 20 0 FBADRM CC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-])C(N)=O ZINC000823584702 603711470 /nfs/dbraw/zinc/71/14/70/603711470.db2.gz DIRAMRGBCZLWFY-YNEHKIRRSA-N -1 0 354.407 -0.110 20 0 FBADRM CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1)C(N)=O ZINC000823585225 603717267 /nfs/dbraw/zinc/71/72/67/603717267.db2.gz HXJWAVZLNJBYHB-AGIUHOORSA-N -1 0 354.407 -0.253 20 0 FBADRM CC(=O)N[C@@H](CC(=O)N1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1)C(N)=O ZINC000823585226 603717436 /nfs/dbraw/zinc/71/74/36/603717436.db2.gz HXJWAVZLNJBYHB-AVGNSLFASA-N -1 0 354.407 -0.253 20 0 FBADRM CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1)C(N)=O ZINC000823585227 603717107 /nfs/dbraw/zinc/71/71/07/603717107.db2.gz HXJWAVZLNJBYHB-FRRDWIJNSA-N -1 0 354.407 -0.253 20 0 FBADRM CC(=O)N[C@@H](CC(=O)N1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1)C(N)=O ZINC000823585228 603717690 /nfs/dbraw/zinc/71/76/90/603717690.db2.gz HXJWAVZLNJBYHB-RWMBFGLXSA-N -1 0 354.407 -0.253 20 0 FBADRM CC(=O)N[C@@H](CC(=O)Nc1cc2c(cc1NC(=O)[O-])OCO2)C(N)=O ZINC000823585249 604009042 /nfs/dbraw/zinc/00/90/42/604009042.db2.gz IPTQXKONPVREEV-VIFPVBQESA-N -1 0 352.303 -0.176 20 0 FBADRM CC(=O)N[C@@H](CC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1)C(N)=O ZINC000823585796 603465916 /nfs/dbraw/zinc/46/59/16/603465916.db2.gz OASKVDXUUHNQAZ-ZDUSSCGKSA-N -1 0 354.407 -0.253 20 0 FBADRM CC(=O)N[C@@H](CC(=O)N1CCC([C@H]2CCCN2C(=O)[O-])CC1)C(N)=O ZINC000823586326 603702106 /nfs/dbraw/zinc/70/21/06/603702106.db2.gz SKBOUIDPEBAMBA-QWHCGFSZSA-N -1 0 354.407 -0.253 20 0 FBADRM CC(=O)N[C@@H](CC(=O)N1CCC([C@@H]2CCCN2C(=O)[O-])CC1)C(N)=O ZINC000823586327 603702340 /nfs/dbraw/zinc/70/23/40/603702340.db2.gz SKBOUIDPEBAMBA-STQMWFEESA-N -1 0 354.407 -0.253 20 0 FBADRM CC(=O)N[C@@H](CC(=O)N1CCN(C(=O)[O-])CC12CCCCC2)C(N)=O ZINC000823586372 605749645 /nfs/dbraw/zinc/74/96/45/605749645.db2.gz UOHVENBKZCNJIT-LBPRGKRZSA-N -1 0 354.407 -0.108 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC2CN(C(=O)[O-])C2)cc1 ZINC000823636523 604745747 /nfs/dbraw/zinc/74/57/47/604745747.db2.gz ZOYXKSPYRVHVSE-UHFFFAOYSA-N -1 0 355.372 -0.354 20 0 FBADRM CC(=O)c1cn(Cc2nc(C(C)(C)NC(=O)[O-])no2)c(=O)n(C)c1=O ZINC000823641781 603953668 /nfs/dbraw/zinc/95/36/68/603953668.db2.gz YYWPAYSUWLSULK-UHFFFAOYSA-N -1 0 351.319 -0.316 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O)n1cccn1 ZINC000823654594 603781335 /nfs/dbraw/zinc/78/13/35/603781335.db2.gz KUSVAMJNUWJEDZ-CMPLNLGQSA-N -1 0 352.347 -0.233 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)O[C@H]1CN(C(=O)[O-])CCC1=O)n1cccn1 ZINC000823654595 603781350 /nfs/dbraw/zinc/78/13/50/603781350.db2.gz KUSVAMJNUWJEDZ-JQWIXIFHSA-N -1 0 352.347 -0.233 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)O[C@H]1CN(C(=O)[O-])CCC1=O)n1cccn1 ZINC000823654596 603781229 /nfs/dbraw/zinc/78/12/29/603781229.db2.gz KUSVAMJNUWJEDZ-PWSUYJOCSA-N -1 0 352.347 -0.233 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O)n1cccn1 ZINC000823654597 603781100 /nfs/dbraw/zinc/78/11/00/603781100.db2.gz KUSVAMJNUWJEDZ-ZYHUDNBSSA-N -1 0 352.347 -0.233 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-])n1cccn1 ZINC000823656110 604403675 /nfs/dbraw/zinc/40/36/75/604403675.db2.gz WXCMCYGSGSWECO-CHWSQXEVSA-N -1 0 366.422 -0.687 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-])n1cccn1 ZINC000823656112 604403921 /nfs/dbraw/zinc/40/39/21/604403921.db2.gz WXCMCYGSGSWECO-OLZOCXBDSA-N -1 0 366.422 -0.687 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-])n1cccn1 ZINC000823656116 604404061 /nfs/dbraw/zinc/40/40/61/604404061.db2.gz WXCMCYGSGSWECO-QWHCGFSZSA-N -1 0 366.422 -0.687 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-])n1cccn1 ZINC000823656118 604404084 /nfs/dbraw/zinc/40/40/84/604404084.db2.gz WXCMCYGSGSWECO-STQMWFEESA-N -1 0 366.422 -0.687 20 0 FBADRM C[C@H](C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1)n1cccn1 ZINC000823664084 603939221 /nfs/dbraw/zinc/93/92/21/603939221.db2.gz VUMVNCYQPVGGRZ-LLVKDONJSA-N -1 0 371.419 -0.720 20 0 FBADRM C[C@@H](C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1)n1cccn1 ZINC000823664085 603938732 /nfs/dbraw/zinc/93/87/32/603938732.db2.gz VUMVNCYQPVGGRZ-NSHDSACASA-N -1 0 371.419 -0.720 20 0 FBADRM O=c1c2cnn(-c3ccccc3)c2nnn1Cn1cnc(-c2nnn[n-]2)n1 ZINC000823664765 606933268 /nfs/dbraw/zinc/93/32/68/606933268.db2.gz DVTLESKBBCYEPH-UHFFFAOYSA-N -1 0 362.317 -0.745 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCOC[C@H]1C(=O)[O-])C2=O ZINC000823666299 601559594 /nfs/dbraw/zinc/55/95/94/601559594.db2.gz JJNZWJLJHMRSMH-CSJGVYOVSA-N -1 0 368.390 -0.696 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCOC[C@@H]1C(=O)[O-])C2=O ZINC000823666303 601559656 /nfs/dbraw/zinc/55/96/56/601559656.db2.gz JJNZWJLJHMRSMH-NOEPWBJOSA-N -1 0 368.390 -0.696 20 0 FBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NCCCNC(=O)[O-])CC1 ZINC000823668590 604160303 /nfs/dbraw/zinc/16/03/03/604160303.db2.gz FDEPVHBZKJARNC-CYBMUJFWSA-N -1 0 355.439 -0.018 20 0 FBADRM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NCCCNC(=O)[O-])CC1 ZINC000823668591 604160279 /nfs/dbraw/zinc/16/02/79/604160279.db2.gz FDEPVHBZKJARNC-ZDUSSCGKSA-N -1 0 355.439 -0.018 20 0 FBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000823668600 603461090 /nfs/dbraw/zinc/46/10/90/603461090.db2.gz FFHCSFDRYPPPEU-HZSPNIEDSA-N -1 0 368.434 -0.745 20 0 FBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000823668601 603461131 /nfs/dbraw/zinc/46/11/31/603461131.db2.gz FFHCSFDRYPPPEU-MCIONIFRSA-N -1 0 368.434 -0.745 20 0 FBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000823668602 603461368 /nfs/dbraw/zinc/46/13/68/603461368.db2.gz FFHCSFDRYPPPEU-MGPQQGTHSA-N -1 0 368.434 -0.745 20 0 FBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000823668603 603461489 /nfs/dbraw/zinc/46/14/89/603461489.db2.gz FFHCSFDRYPPPEU-RDBSUJKOSA-N -1 0 368.434 -0.745 20 0 FBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NCCN(C)C(=O)[O-])CC1 ZINC000823668744 604160403 /nfs/dbraw/zinc/16/04/03/604160403.db2.gz GYFBCTMHBAUUOX-CYBMUJFWSA-N -1 0 355.439 -0.066 20 0 FBADRM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NCCN(C)C(=O)[O-])CC1 ZINC000823668745 604159910 /nfs/dbraw/zinc/15/99/10/604159910.db2.gz GYFBCTMHBAUUOX-ZDUSSCGKSA-N -1 0 355.439 -0.066 20 0 FBADRM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000823669068 604257602 /nfs/dbraw/zinc/25/76/02/604257602.db2.gz KVDLORGSFJRRAF-KBPBESRZSA-N -1 0 368.434 -0.480 20 0 FBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000823669070 604257557 /nfs/dbraw/zinc/25/75/57/604257557.db2.gz KVDLORGSFJRRAF-KGLIPLIRSA-N -1 0 368.434 -0.480 20 0 FBADRM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000823669071 604257605 /nfs/dbraw/zinc/25/76/05/604257605.db2.gz KVDLORGSFJRRAF-UONOGXRCSA-N -1 0 368.434 -0.480 20 0 FBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000823669072 604257571 /nfs/dbraw/zinc/25/75/71/604257571.db2.gz KVDLORGSFJRRAF-ZIAGYGMSSA-N -1 0 368.434 -0.480 20 0 FBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000823669232 603461345 /nfs/dbraw/zinc/46/13/45/603461345.db2.gz LNLSUGGKMFWNLQ-CYBMUJFWSA-N -1 0 368.434 -0.480 20 0 FBADRM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000823669235 603461487 /nfs/dbraw/zinc/46/14/87/603461487.db2.gz LNLSUGGKMFWNLQ-ZDUSSCGKSA-N -1 0 368.434 -0.480 20 0 FBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000823669458 604618806 /nfs/dbraw/zinc/61/88/06/604618806.db2.gz NKVKDMCRSXHABK-GFCCVEGCSA-N -1 0 353.423 -0.313 20 0 FBADRM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000823669459 604618497 /nfs/dbraw/zinc/61/84/97/604618497.db2.gz NKVKDMCRSXHABK-LBPRGKRZSA-N -1 0 353.423 -0.313 20 0 FBADRM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823670823 604284545 /nfs/dbraw/zinc/28/45/45/604284545.db2.gz ZPLJGWWVTWCVRZ-KBPBESRZSA-N -1 0 368.434 -0.480 20 0 FBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823670824 604284763 /nfs/dbraw/zinc/28/47/63/604284763.db2.gz ZPLJGWWVTWCVRZ-KGLIPLIRSA-N -1 0 368.434 -0.480 20 0 FBADRM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823670825 604284757 /nfs/dbraw/zinc/28/47/57/604284757.db2.gz ZPLJGWWVTWCVRZ-UONOGXRCSA-N -1 0 368.434 -0.480 20 0 FBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823670826 604284549 /nfs/dbraw/zinc/28/45/49/604284549.db2.gz ZPLJGWWVTWCVRZ-ZIAGYGMSSA-N -1 0 368.434 -0.480 20 0 FBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000823670854 604257581 /nfs/dbraw/zinc/25/75/81/604257581.db2.gz ZULHDTVWZPXDNU-CYBMUJFWSA-N -1 0 356.423 -0.574 20 0 FBADRM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000823670861 604257536 /nfs/dbraw/zinc/25/75/36/604257536.db2.gz ZULHDTVWZPXDNU-ZDUSSCGKSA-N -1 0 356.423 -0.574 20 0 FBADRM C[C@H](C(=O)N1CCN(S(N)(=O)=O)CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823679235 602813133 /nfs/dbraw/zinc/81/31/33/602813133.db2.gz ZTFGGGKFSOBMKO-AAEUAGOBSA-N -1 0 370.431 -0.021 20 0 FBADRM C[C@@H](C(=O)N1CCN(S(N)(=O)=O)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823679236 602813334 /nfs/dbraw/zinc/81/33/34/602813334.db2.gz ZTFGGGKFSOBMKO-DGCLKSJQSA-N -1 0 370.431 -0.021 20 0 FBADRM C[C@H](C(=O)N1CCN(S(N)(=O)=O)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823679237 602813164 /nfs/dbraw/zinc/81/31/64/602813164.db2.gz ZTFGGGKFSOBMKO-WCQYABFASA-N -1 0 370.431 -0.021 20 0 FBADRM C[C@@H](C(=O)N1CCN(S(N)(=O)=O)CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823679238 602813258 /nfs/dbraw/zinc/81/32/58/602813258.db2.gz ZTFGGGKFSOBMKO-YPMHNXCESA-N -1 0 370.431 -0.021 20 0 FBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823685881 604667348 /nfs/dbraw/zinc/66/73/48/604667348.db2.gz NLVJVFLWCFCXML-AAEUAGOBSA-N -1 0 354.407 -0.824 20 0 FBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823685882 604667288 /nfs/dbraw/zinc/66/72/88/604667288.db2.gz NLVJVFLWCFCXML-DGCLKSJQSA-N -1 0 354.407 -0.824 20 0 FBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823685883 604667111 /nfs/dbraw/zinc/66/71/11/604667111.db2.gz NLVJVFLWCFCXML-WCQYABFASA-N -1 0 354.407 -0.824 20 0 FBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823685884 604666832 /nfs/dbraw/zinc/66/68/32/604666832.db2.gz NLVJVFLWCFCXML-YPMHNXCESA-N -1 0 354.407 -0.824 20 0 FBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000823686853 603762989 /nfs/dbraw/zinc/76/29/89/603762989.db2.gz STEUTSOJBMABFJ-LLVKDONJSA-N -1 0 354.407 -0.824 20 0 FBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000823686854 603762475 /nfs/dbraw/zinc/76/24/75/603762475.db2.gz STEUTSOJBMABFJ-NSHDSACASA-N -1 0 354.407 -0.824 20 0 FBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000823687001 603824523 /nfs/dbraw/zinc/82/45/23/603824523.db2.gz UXUIWCDSOLKYLG-BDJLRTHQSA-N -1 0 356.398 -0.110 20 0 FBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000823687007 603824529 /nfs/dbraw/zinc/82/45/29/603824529.db2.gz UXUIWCDSOLKYLG-BZNIZROVSA-N -1 0 356.398 -0.110 20 0 FBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000823687008 603824404 /nfs/dbraw/zinc/82/44/04/603824404.db2.gz UXUIWCDSOLKYLG-MEDUHNTESA-N -1 0 356.398 -0.110 20 0 FBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000823687009 603824541 /nfs/dbraw/zinc/82/45/41/603824541.db2.gz UXUIWCDSOLKYLG-ZBEGNZNMSA-N -1 0 356.398 -0.110 20 0 FBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823687333 604667082 /nfs/dbraw/zinc/66/70/82/604667082.db2.gz WVVUHGYBRNCPNT-GXTWGEPZSA-N -1 0 368.434 -0.433 20 0 FBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823687334 604667282 /nfs/dbraw/zinc/66/72/82/604667282.db2.gz WVVUHGYBRNCPNT-JSGCOSHPSA-N -1 0 368.434 -0.433 20 0 FBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823687535 604667147 /nfs/dbraw/zinc/66/71/47/604667147.db2.gz WVVUHGYBRNCPNT-OCCSQVGLSA-N -1 0 368.434 -0.433 20 0 FBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823687536 604667106 /nfs/dbraw/zinc/66/71/06/604667106.db2.gz WVVUHGYBRNCPNT-TZMCWYRMSA-N -1 0 368.434 -0.433 20 0 FBADRM C[C@H](C(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O)S(=O)(=O)C1CCOCC1 ZINC000823730471 605217932 /nfs/dbraw/zinc/21/79/32/605217932.db2.gz AORYADBZFZKSED-BXKDBHETSA-N -1 0 363.388 -0.167 20 0 FBADRM C[C@@H](C(=O)O[C@H]1CN(C(=O)[O-])CCC1=O)S(=O)(=O)C1CCOCC1 ZINC000823730473 605218024 /nfs/dbraw/zinc/21/80/24/605218024.db2.gz AORYADBZFZKSED-CABZTGNLSA-N -1 0 363.388 -0.167 20 0 FBADRM C[C@@H](C(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O)S(=O)(=O)C1CCOCC1 ZINC000823730476 605218160 /nfs/dbraw/zinc/21/81/60/605218160.db2.gz AORYADBZFZKSED-JOYOIKCWSA-N -1 0 363.388 -0.167 20 0 FBADRM C[C@H](C(=O)O[C@H]1CN(C(=O)[O-])CCC1=O)S(=O)(=O)C1CCOCC1 ZINC000823730479 605218266 /nfs/dbraw/zinc/21/82/66/605218266.db2.gz AORYADBZFZKSED-SKDRFNHKSA-N -1 0 363.388 -0.167 20 0 FBADRM CC(C)(C(=O)N1CCN([C@H]2CCOC2)CC1)N1CCN(C(=O)[O-])CC1 ZINC000823737681 605392133 /nfs/dbraw/zinc/39/21/33/605392133.db2.gz JPCUMDURSKWJQS-AWEZNQCLSA-N -1 0 354.451 -0.006 20 0 FBADRM CC(C)(C(=O)N1CCN([C@@H]2CCOC2)CC1)N1CCN(C(=O)[O-])CC1 ZINC000823737683 605391424 /nfs/dbraw/zinc/39/14/24/605391424.db2.gz JPCUMDURSKWJQS-CQSZACIVSA-N -1 0 354.451 -0.006 20 0 FBADRM CC(C)(C(=O)N1CCO[C@@H](Cn2cncn2)C1)N1CCN(C(=O)[O-])CC1 ZINC000823737753 603814305 /nfs/dbraw/zinc/81/43/05/603814305.db2.gz LCNYULZQKWZTJI-CYBMUJFWSA-N -1 0 366.422 -0.420 20 0 FBADRM CC(C)(C(=O)N1CCO[C@H](Cn2cncn2)C1)N1CCN(C(=O)[O-])CC1 ZINC000823737754 603814585 /nfs/dbraw/zinc/81/45/85/603814585.db2.gz LCNYULZQKWZTJI-ZDUSSCGKSA-N -1 0 366.422 -0.420 20 0 FBADRM CC(C)(C(=O)N1CCC[C@H](CNC(N)=O)C1)N1CCN(C(=O)[O-])CC1 ZINC000823737835 603663111 /nfs/dbraw/zinc/66/31/11/603663111.db2.gz MRRIHRLJGMAYHB-GFCCVEGCSA-N -1 0 355.439 -0.033 20 0 FBADRM CC(C)(C(=O)N1CCC[C@@H](CNC(N)=O)C1)N1CCN(C(=O)[O-])CC1 ZINC000823737836 603663063 /nfs/dbraw/zinc/66/30/63/603663063.db2.gz MRRIHRLJGMAYHB-LBPRGKRZSA-N -1 0 355.439 -0.033 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823738042 603628223 /nfs/dbraw/zinc/62/82/23/603628223.db2.gz PSGKMZDNYBAZRQ-SECBINFHSA-N -1 0 369.422 -0.537 20 0 FBADRM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823738043 603627536 /nfs/dbraw/zinc/62/75/36/603627536.db2.gz PSGKMZDNYBAZRQ-VIFPVBQESA-N -1 0 369.422 -0.537 20 0 FBADRM CC(C)(C(=O)N1CC[C@@H](NS(C)(=O)=O)C1)N1CCN(C(=O)[O-])CC1 ZINC000823738257 603813090 /nfs/dbraw/zinc/81/30/90/603813090.db2.gz TXVZDFLMEABPMM-LLVKDONJSA-N -1 0 362.452 -0.789 20 0 FBADRM CC(C)(C(=O)N1CC[C@H](NS(C)(=O)=O)C1)N1CCN(C(=O)[O-])CC1 ZINC000823738258 603812553 /nfs/dbraw/zinc/81/25/53/603812553.db2.gz TXVZDFLMEABPMM-NSHDSACASA-N -1 0 362.452 -0.789 20 0 FBADRM CC(C)(C(=O)N1CCCN(CC(N)=O)CC1)N1CCN(C(=O)[O-])CC1 ZINC000823738332 603747642 /nfs/dbraw/zinc/74/76/42/603747642.db2.gz WCYYVLYNFTXMKL-UHFFFAOYSA-N -1 0 355.439 -0.920 20 0 FBADRM CC(C)(C(=O)N1CCC2(CC1)NC(=O)NC2=O)N1CCN(C(=O)[O-])CC1 ZINC000823738339 603642982 /nfs/dbraw/zinc/64/29/82/603642982.db2.gz WMXRNTYSTHNMJM-UHFFFAOYSA-N -1 0 367.406 -0.739 20 0 FBADRM CC(C)(C(=O)N1CC[C@H](N2CCOCC2)C1)N1CCN(C(=O)[O-])CC1 ZINC000823738533 603848755 /nfs/dbraw/zinc/84/87/55/603848755.db2.gz XWEGTWUQNPAPMZ-AWEZNQCLSA-N -1 0 354.451 -0.006 20 0 FBADRM CC(C)(C(=O)N1CC[C@@H](N2CCOCC2)C1)N1CCN(C(=O)[O-])CC1 ZINC000823738534 603848941 /nfs/dbraw/zinc/84/89/41/603848941.db2.gz XWEGTWUQNPAPMZ-CQSZACIVSA-N -1 0 354.451 -0.006 20 0 FBADRM CC(C)(C(=O)N1CCC[C@@H](S(N)(=O)=O)C1)N1CCN(C(=O)[O-])CC1 ZINC000823738684 603820212 /nfs/dbraw/zinc/82/02/12/603820212.db2.gz ZTFMWRAFHRPMAF-LLVKDONJSA-N -1 0 362.452 -0.660 20 0 FBADRM CC(C)(C(=O)N1CCC[C@H](S(N)(=O)=O)C1)N1CCN(C(=O)[O-])CC1 ZINC000823738687 603820449 /nfs/dbraw/zinc/82/04/49/603820449.db2.gz ZTFMWRAFHRPMAF-NSHDSACASA-N -1 0 362.452 -0.660 20 0 FBADRM CC(C)(C(=O)NCCCNS(C)(=O)=O)N1CCN(C(=O)[O-])CC1 ZINC000823743265 603648155 /nfs/dbraw/zinc/64/81/55/603648155.db2.gz CJAVZEHUVLRNLN-UHFFFAOYSA-N -1 0 350.441 -0.884 20 0 FBADRM CC(C)(C(=O)NCCC(=O)N1CCOCC1)N1CCN(C(=O)[O-])CC1 ZINC000823743392 603648273 /nfs/dbraw/zinc/64/82/73/603648273.db2.gz DQSZEQMELMUBLD-UHFFFAOYSA-N -1 0 356.423 -0.574 20 0 FBADRM CC(C)(C(=O)OCCN1CCCS1(=O)=O)N1CCN(C(=O)[O-])CC1 ZINC000823743643 605546784 /nfs/dbraw/zinc/54/67/84/605546784.db2.gz NCCNCKVXNAPZBK-UHFFFAOYSA-N -1 0 363.436 -0.361 20 0 FBADRM CC(C)(C(=O)NCC1(C(N)=O)CCOCC1)N1CCN(C(=O)[O-])CC1 ZINC000823743900 603655159 /nfs/dbraw/zinc/65/51/59/603655159.db2.gz RYNBZIWTQOXAHR-UHFFFAOYSA-N -1 0 356.423 -0.541 20 0 FBADRM CC(C)(C(=O)NCCc1nnc2n1CCC2)N1CCN(C(=O)[O-])CC1 ZINC000823744219 603672420 /nfs/dbraw/zinc/67/24/20/603672420.db2.gz ZPEQDCPPGIKEID-UHFFFAOYSA-N -1 0 350.423 -0.043 20 0 FBADRM CC(C)(C(N)=O)N1CCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000823748579 605369493 /nfs/dbraw/zinc/36/94/93/605369493.db2.gz ABLFVTVPBLTMSK-GFCCVEGCSA-N -1 0 356.423 -0.447 20 0 FBADRM CC(C)(C(N)=O)N1CCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000823748580 605369368 /nfs/dbraw/zinc/36/93/68/605369368.db2.gz ABLFVTVPBLTMSK-LBPRGKRZSA-N -1 0 356.423 -0.447 20 0 FBADRM CC(C)(C(N)=O)N1CCN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CC1 ZINC000823748682 603683382 /nfs/dbraw/zinc/68/33/82/603683382.db2.gz BSSMXKWIBGOEOQ-UHFFFAOYSA-N -1 0 369.466 -0.531 20 0 FBADRM CC(C)(C)C(=O)Cn1cc(C(=O)NCCN2CCN(C(=O)[O-])CC2)nn1 ZINC000823748712 603672469 /nfs/dbraw/zinc/67/24/69/603672469.db2.gz CBEFYDGUGZUISX-UHFFFAOYSA-N -1 0 366.422 -0.081 20 0 FBADRM CC(C)(C)C(=O)NCC(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000823748932 603958621 /nfs/dbraw/zinc/95/86/21/603958621.db2.gz JLRZXVFCOZUWRX-UHFFFAOYSA-N -1 0 353.383 -0.295 20 0 FBADRM CC(C)(C)C(=O)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000823748957 604058735 /nfs/dbraw/zinc/05/87/35/604058735.db2.gz JVHVINNITDINAL-UHFFFAOYSA-N -1 0 361.420 -0.562 20 0 FBADRM CC(C)(C(N)=O)N1CCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])CC1 ZINC000823748972 605668112 /nfs/dbraw/zinc/66/81/12/605668112.db2.gz KFEFJDQECMQWII-LLVKDONJSA-N -1 0 358.464 -0.120 20 0 FBADRM CC(C)(C(N)=O)N1CCN(C(=O)C[C@H]2CSCCN2C(=O)[O-])CC1 ZINC000823748973 605667950 /nfs/dbraw/zinc/66/79/50/605667950.db2.gz KFEFJDQECMQWII-NSHDSACASA-N -1 0 358.464 -0.120 20 0 FBADRM CC(C)(C(N)=O)N1CCN(C(=O)NCC2CCN(C(=O)[O-])CC2)CC1 ZINC000823749013 603478250 /nfs/dbraw/zinc/47/82/50/603478250.db2.gz LPBBARHDWLTKNS-UHFFFAOYSA-N -1 0 355.439 -0.033 20 0 FBADRM CC(C)(C(N)=O)N1CCN(C(=O)c2csc(CNC(=O)[O-])n2)CC1 ZINC000823749061 603683433 /nfs/dbraw/zinc/68/34/33/603683433.db2.gz NCKRLALHZZKMJP-UHFFFAOYSA-N -1 0 355.420 -0.068 20 0 FBADRM CC(C)(C(N)=O)N1CCN(C(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000823749172 603480776 /nfs/dbraw/zinc/48/07/76/603480776.db2.gz QJEIPCZNTLALAA-GFCCVEGCSA-N -1 0 355.439 -0.033 20 0 FBADRM CC(C)(C(N)=O)N1CCN(C(=O)NCC[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000823749173 603480913 /nfs/dbraw/zinc/48/09/13/603480913.db2.gz QJEIPCZNTLALAA-LBPRGKRZSA-N -1 0 355.439 -0.033 20 0 FBADRM CC(C)(C(N)=O)N1CCN(C(=O)NC[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000823749308 603478242 /nfs/dbraw/zinc/47/82/42/603478242.db2.gz VCGMPMLIYQGEFW-GFCCVEGCSA-N -1 0 355.439 -0.033 20 0 FBADRM CC(C)(C(N)=O)N1CCN(C(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000823749309 603477963 /nfs/dbraw/zinc/47/79/63/603477963.db2.gz VCGMPMLIYQGEFW-LBPRGKRZSA-N -1 0 355.439 -0.033 20 0 FBADRM CC(C)(C(N)=O)N1CCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000823749364 603683317 /nfs/dbraw/zinc/68/33/17/603683317.db2.gz WONIJWMRYYHEGY-GFCCVEGCSA-N -1 0 356.423 -0.447 20 0 FBADRM CC(C)(C(N)=O)N1CCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000823749365 603683355 /nfs/dbraw/zinc/68/33/55/603683355.db2.gz WONIJWMRYYHEGY-LBPRGKRZSA-N -1 0 356.423 -0.447 20 0 FBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000823758849 605271439 /nfs/dbraw/zinc/27/14/39/605271439.db2.gz BCARVCREWOVLDR-LLVKDONJSA-N -1 0 364.468 -0.638 20 0 FBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000823758850 605271379 /nfs/dbraw/zinc/27/13/79/605271379.db2.gz BCARVCREWOVLDR-NSHDSACASA-N -1 0 364.468 -0.638 20 0 FBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000823759432 605194362 /nfs/dbraw/zinc/19/43/62/605194362.db2.gz HWLJJGVGYBQQBU-NXEZZACHSA-N -1 0 350.393 -0.185 20 0 FBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000823759434 605194972 /nfs/dbraw/zinc/19/49/72/605194972.db2.gz HWLJJGVGYBQQBU-UWVGGRQHSA-N -1 0 350.393 -0.185 20 0 FBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000823759435 605194340 /nfs/dbraw/zinc/19/43/40/605194340.db2.gz HWLJJGVGYBQQBU-VHSXEESVSA-N -1 0 350.393 -0.185 20 0 FBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000823759436 605194950 /nfs/dbraw/zinc/19/49/50/605194950.db2.gz HWLJJGVGYBQQBU-ZJUUUORDSA-N -1 0 350.393 -0.185 20 0 FBADRM CC(C)(C)NC(=O)CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000823771373 604099531 /nfs/dbraw/zinc/09/95/31/604099531.db2.gz CEOQWQBAGHKRGX-UHFFFAOYSA-N -1 0 362.452 -0.789 20 0 FBADRM CC(C)(C)NC(=O)CNC(=O)COC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000823771725 661097454 /nfs/dbraw/zinc/09/74/54/661097454.db2.gz HLTYPOJVHNIOHF-JTQLQIEISA-N -1 0 359.379 -0.671 20 0 FBADRM CC(C)(C)NC(=O)CNC(=O)COC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000823771726 661097493 /nfs/dbraw/zinc/09/74/93/661097493.db2.gz HLTYPOJVHNIOHF-SNVBAGLBSA-N -1 0 359.379 -0.671 20 0 FBADRM CC(C)(C)N1C[C@H](NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1=O ZINC000823772928 604164116 /nfs/dbraw/zinc/16/41/16/604164116.db2.gz PHUCUSSRIVNJIG-LLVKDONJSA-N -1 0 369.422 -0.493 20 0 FBADRM CC(C)(C)N1C[C@@H](NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1=O ZINC000823772929 604164177 /nfs/dbraw/zinc/16/41/77/604164177.db2.gz PHUCUSSRIVNJIG-NSHDSACASA-N -1 0 369.422 -0.493 20 0 FBADRM CC(C)(C)N1C[C@H](NC(=O)NCCN2CCN(C(=O)[O-])CC2)CC1=O ZINC000823772930 604166192 /nfs/dbraw/zinc/16/61/92/604166192.db2.gz PMNHIJUYWVEYKV-GFCCVEGCSA-N -1 0 355.439 -0.019 20 0 FBADRM CC(C)(C)N1C[C@@H](NC(=O)NCCN2CCN(C(=O)[O-])CC2)CC1=O ZINC000823772931 604165994 /nfs/dbraw/zinc/16/59/94/604165994.db2.gz PMNHIJUYWVEYKV-LBPRGKRZSA-N -1 0 355.439 -0.019 20 0 FBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000823778857 605259431 /nfs/dbraw/zinc/25/94/31/605259431.db2.gz MGMAASNTZVUDLH-LLVKDONJSA-N -1 0 365.452 -0.021 20 0 FBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000823778858 605259034 /nfs/dbraw/zinc/25/90/34/605259034.db2.gz MGMAASNTZVUDLH-NSHDSACASA-N -1 0 365.452 -0.021 20 0 FBADRM CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000823779086 603586798 /nfs/dbraw/zinc/58/67/98/603586798.db2.gz SSZFDKPAGGOPTH-LLVKDONJSA-N -1 0 355.391 -0.001 20 0 FBADRM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000823779087 603586990 /nfs/dbraw/zinc/58/69/90/603586990.db2.gz SSZFDKPAGGOPTH-NSHDSACASA-N -1 0 355.391 -0.001 20 0 FBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000823779099 604699703 /nfs/dbraw/zinc/69/97/03/604699703.db2.gz SWAOMXAFXIVQMD-JTQLQIEISA-N -1 0 351.425 -0.411 20 0 FBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000823779100 604699957 /nfs/dbraw/zinc/69/99/57/604699957.db2.gz SWAOMXAFXIVQMD-SNVBAGLBSA-N -1 0 351.425 -0.411 20 0 FBADRM CC(C)(C)OC(=O)CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000823785226 603917362 /nfs/dbraw/zinc/91/73/62/603917362.db2.gz BUFSCSJPQJCTPG-UHFFFAOYSA-N -1 0 363.436 -0.362 20 0 FBADRM CC(C)(C)OC(=O)[C@H]1CN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CCO1 ZINC000823785403 603963424 /nfs/dbraw/zinc/96/34/24/603963424.db2.gz GPXLFOXIXPVEPU-LLVKDONJSA-N -1 0 371.390 -0.622 20 0 FBADRM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CCO1 ZINC000823785404 603963341 /nfs/dbraw/zinc/96/33/41/603963341.db2.gz GPXLFOXIXPVEPU-NSHDSACASA-N -1 0 371.390 -0.622 20 0 FBADRM CC(C)(C)OC(=O)CCNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000823785575 603737853 /nfs/dbraw/zinc/73/78/53/603737853.db2.gz MMIPGIBEJNCOAR-UHFFFAOYSA-N -1 0 358.395 -0.160 20 0 FBADRM CC(C)(C)OC(=O)N1CC(OC(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000823800282 603586513 /nfs/dbraw/zinc/58/65/13/603586513.db2.gz VXHMTBRXNRZNIG-UHFFFAOYSA-N -1 0 357.363 -0.029 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000823805041 604431251 /nfs/dbraw/zinc/43/12/51/604431251.db2.gz OEDGIYDXKLUPCT-UHFFFAOYSA-N -1 0 370.406 -0.018 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)OC2CN(C(=O)[O-])C2)C(=O)C1 ZINC000823805756 603586418 /nfs/dbraw/zinc/58/64/18/603586418.db2.gz XDWUAGGKESJPIP-UHFFFAOYSA-N -1 0 357.363 -0.029 20 0 FBADRM CC(C)(C)OC(=O)NC1(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1 ZINC000823809141 604431124 /nfs/dbraw/zinc/43/11/24/604431124.db2.gz HSAVRVZQRGMXGM-UHFFFAOYSA-N -1 0 370.406 -0.018 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)N1CCCN(C(=O)CNC(=O)[O-])CC1 ZINC000823818043 603449776 /nfs/dbraw/zinc/44/97/76/603449776.db2.gz SWKDKXCPBMDFGS-UHFFFAOYSA-N -1 0 358.395 -0.160 20 0 FBADRM CC(C)(C)S(=O)(=O)CCNC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000823833141 604074402 /nfs/dbraw/zinc/07/44/02/604074402.db2.gz JFBWLMHNXMZQRP-UHFFFAOYSA-N -1 0 364.468 -0.206 20 0 FBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000823837578 605691978 /nfs/dbraw/zinc/69/19/78/605691978.db2.gz AYQKSDUTUJFNRA-LLVKDONJSA-N -1 0 353.383 -0.974 20 0 FBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000823837592 605641079 /nfs/dbraw/zinc/64/10/79/605641079.db2.gz BWZMGXMWGNBMHB-LLVKDONJSA-N -1 0 354.407 -0.382 20 0 FBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000823837611 605636434 /nfs/dbraw/zinc/63/64/34/605636434.db2.gz CGHNPUQQZZNZGS-NXEZZACHSA-N -1 0 350.441 -0.300 20 0 FBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000823837613 605636278 /nfs/dbraw/zinc/63/62/78/605636278.db2.gz CGHNPUQQZZNZGS-VHSXEESVSA-N -1 0 350.441 -0.300 20 0 FBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000823838634 605644249 /nfs/dbraw/zinc/64/42/49/605644249.db2.gz JSGBPRMDKPRLKC-GFCCVEGCSA-N -1 0 368.434 -0.038 20 0 FBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000823839267 605592758 /nfs/dbraw/zinc/59/27/58/605592758.db2.gz QNJLFJGUVHPDFX-CQSZACIVSA-N -1 0 370.450 -0.328 20 0 FBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000823843509 661097483 /nfs/dbraw/zinc/09/74/83/661097483.db2.gz IEKMLKFUEDALSO-GXSJLCMTSA-N -1 0 363.436 -0.522 20 0 FBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000823843510 661097470 /nfs/dbraw/zinc/09/74/70/661097470.db2.gz IEKMLKFUEDALSO-MWLCHTKSSA-N -1 0 363.436 -0.522 20 0 FBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000823843711 605583191 /nfs/dbraw/zinc/58/31/91/605583191.db2.gz OJEVEWXETJQGFV-CQSZACIVSA-N -1 0 370.450 -0.328 20 0 FBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000823846448 605662391 /nfs/dbraw/zinc/66/23/91/605662391.db2.gz IMWARKAXFJFEHL-LLVKDONJSA-N -1 0 364.468 -0.638 20 0 FBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000823847802 605768410 /nfs/dbraw/zinc/76/84/10/605768410.db2.gz TUPAHGJMMIZKSO-SNVBAGLBSA-N -1 0 362.408 -0.108 20 0 FBADRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000823848096 605677707 /nfs/dbraw/zinc/67/77/07/605677707.db2.gz ZEMMXHMJDWJLIG-SNVBAGLBSA-N -1 0 351.425 -0.553 20 0 FBADRM CCn1c(=O)c2ccccc2n(CC(=O)N2CCOC[C@@H]2C(=O)[O-])c1=O ZINC000823848298 601609095 /nfs/dbraw/zinc/60/90/95/601609095.db2.gz RRWXTSGFKVIBSJ-CYBMUJFWSA-N -1 0 361.354 -0.505 20 0 FBADRM CCn1c(=O)c2ccccc2n(CC(=O)N2CCOC[C@H]2C(=O)[O-])c1=O ZINC000823848300 601609068 /nfs/dbraw/zinc/60/90/68/601609068.db2.gz RRWXTSGFKVIBSJ-ZDUSSCGKSA-N -1 0 361.354 -0.505 20 0 FBADRM CC(C)(CCC(=O)N1CCN(CCS(N)(=O)=O)CC1)NC(=O)[O-] ZINC000823885411 603932562 /nfs/dbraw/zinc/93/25/62/603932562.db2.gz FSERXVQCJFGQBC-UHFFFAOYSA-N -1 0 350.441 -0.755 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F)NC(=O)[O-] ZINC000823894806 603612825 /nfs/dbraw/zinc/61/28/25/603612825.db2.gz DQTDVQOZDAMDDJ-UHFFFAOYSA-N -1 0 365.325 -0.098 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)NC(=O)[O-] ZINC000823894848 605231517 /nfs/dbraw/zinc/23/15/17/605231517.db2.gz FPUOUUYSWDBMQH-UHFFFAOYSA-N -1 0 358.376 -0.565 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)NC(=O)[O-] ZINC000823895110 603611394 /nfs/dbraw/zinc/61/13/94/603611394.db2.gz NKJVKXZODKWICR-UHFFFAOYSA-N -1 0 358.376 -0.414 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1)NC(=O)[O-] ZINC000823895242 603616821 /nfs/dbraw/zinc/61/68/21/603616821.db2.gz SCVGTEKJANCXPH-UHFFFAOYSA-N -1 0 352.347 -0.348 20 0 FBADRM CC(C)(CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)NC(=O)[O-] ZINC000823900180 603654975 /nfs/dbraw/zinc/65/49/75/603654975.db2.gz DCWDHNJWWIJUFC-NXEZZACHSA-N -1 0 361.420 -0.816 20 0 FBADRM CC(C)(CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)NC(=O)[O-] ZINC000823900181 603655125 /nfs/dbraw/zinc/65/51/25/603655125.db2.gz DCWDHNJWWIJUFC-UWVGGRQHSA-N -1 0 361.420 -0.816 20 0 FBADRM CC(C)(CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)NC(=O)[O-] ZINC000823900182 603654890 /nfs/dbraw/zinc/65/48/90/603654890.db2.gz DCWDHNJWWIJUFC-VHSXEESVSA-N -1 0 361.420 -0.816 20 0 FBADRM CC(C)(CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)NC(=O)[O-] ZINC000823900183 603654922 /nfs/dbraw/zinc/65/49/22/603654922.db2.gz DCWDHNJWWIJUFC-ZJUUUORDSA-N -1 0 361.420 -0.816 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1)NC(=O)[O-] ZINC000823900286 605498611 /nfs/dbraw/zinc/49/86/11/605498611.db2.gz HFJCIGOSRTWNMQ-UHFFFAOYSA-N -1 0 366.378 -0.737 20 0 FBADRM CC(C)(CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)NC(=O)[O-] ZINC000823900452 603666226 /nfs/dbraw/zinc/66/62/26/603666226.db2.gz MGLDRWMMIBUXJG-GFCCVEGCSA-N -1 0 356.423 -0.671 20 0 FBADRM CC(C)(CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)NC(=O)[O-] ZINC000823900453 603666393 /nfs/dbraw/zinc/66/63/93/603666393.db2.gz MGLDRWMMIBUXJG-LBPRGKRZSA-N -1 0 356.423 -0.671 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1)NC(=O)[O-] ZINC000823900495 603616955 /nfs/dbraw/zinc/61/69/55/603616955.db2.gz NGTWGQHQACQTEU-UHFFFAOYSA-N -1 0 352.347 -0.348 20 0 FBADRM CC(C)(CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)NC(=O)[O-] ZINC000823900543 603657419 /nfs/dbraw/zinc/65/74/19/603657419.db2.gz OBYDQUURBSSCBG-SECBINFHSA-N -1 0 374.419 -0.686 20 0 FBADRM CC(C)(CNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)NC(=O)[O-] ZINC000823900544 603657500 /nfs/dbraw/zinc/65/75/00/603657500.db2.gz OBYDQUURBSSCBG-VIFPVBQESA-N -1 0 374.419 -0.686 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)NC(=O)[O-] ZINC000823900573 603616986 /nfs/dbraw/zinc/61/69/86/603616986.db2.gz PEFHFSSESYNCQP-UHFFFAOYSA-N -1 0 358.376 -0.565 20 0 FBADRM CC(C)(CNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)N1CCS(=O)CC1 ZINC000823906567 661097778 /nfs/dbraw/zinc/09/77/78/661097778.db2.gz HEAZZNRGPLJDSJ-GFCCVEGCSA-N -1 0 361.464 -0.286 20 0 FBADRM CC(C)(CNC(=O)C[C@H]1CN(C(=O)[O-])CCO1)N1CCS(=O)CC1 ZINC000823906568 661097983 /nfs/dbraw/zinc/09/79/83/661097983.db2.gz HEAZZNRGPLJDSJ-LBPRGKRZSA-N -1 0 361.464 -0.286 20 0 FBADRM CC(C)(CNC(=O)C[C@@H]1CSCCN1C(=O)[O-])NS(C)(=O)=O ZINC000823906603 605647099 /nfs/dbraw/zinc/64/70/99/605647099.db2.gz IRUZKSSMDIOBSO-SECBINFHSA-N -1 0 353.466 -0.084 20 0 FBADRM CC(C)(CNC(=O)C[C@H]1CSCCN1C(=O)[O-])NS(C)(=O)=O ZINC000823906604 605647631 /nfs/dbraw/zinc/64/76/31/605647631.db2.gz IRUZKSSMDIOBSO-VIFPVBQESA-N -1 0 353.466 -0.084 20 0 FBADRM CC(C)(CNC(=O)C1CCN(c2ccc3nnnn3n2)CC1)NC(=O)[O-] ZINC000823908454 603651080 /nfs/dbraw/zinc/65/10/80/603651080.db2.gz VXNBJONUKSLSTB-UHFFFAOYSA-N -1 0 362.394 -0.102 20 0 FBADRM CC(C)(CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O)NC(=O)[O-] ZINC000823912092 603651036 /nfs/dbraw/zinc/65/10/36/603651036.db2.gz JTEIWUANVRNWCN-UHFFFAOYSA-N -1 0 355.372 -0.007 20 0 FBADRM CC(C)(CNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1)NS(C)(=O)=O ZINC000823912247 605302076 /nfs/dbraw/zinc/30/20/76/605302076.db2.gz LLKWLHOQOHFFFP-JTQLQIEISA-N -1 0 351.425 -0.411 20 0 FBADRM CC(C)(CNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)NS(C)(=O)=O ZINC000823912248 605302097 /nfs/dbraw/zinc/30/20/97/605302097.db2.gz LLKWLHOQOHFFFP-SNVBAGLBSA-N -1 0 351.425 -0.411 20 0 FBADRM CC(C)(CNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NC(=O)[O-] ZINC000823912262 603654788 /nfs/dbraw/zinc/65/47/88/603654788.db2.gz LZLWANVVFGXWOZ-CYBMUJFWSA-N -1 0 370.450 -0.138 20 0 FBADRM CC(C)(CNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NC(=O)[O-] ZINC000823912263 603654727 /nfs/dbraw/zinc/65/47/27/603654727.db2.gz LZLWANVVFGXWOZ-ZDUSSCGKSA-N -1 0 370.450 -0.138 20 0 FBADRM CC(C)(CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O)NC(=O)[O-] ZINC000823917162 603657387 /nfs/dbraw/zinc/65/73/87/603657387.db2.gz DCWOAUIKAZPEEX-UHFFFAOYSA-N -1 0 363.168 -0.126 20 0 FBADRM CC(C)(CNC(=O)N1CCN(CC(=O)N2CCCC2)CC1)NC(=O)[O-] ZINC000823923340 603443606 /nfs/dbraw/zinc/44/36/06/603443606.db2.gz HWIHDHKRULDUMH-UHFFFAOYSA-N -1 0 355.439 -0.018 20 0 FBADRM CC(C)(CNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)NC(=O)[O-] ZINC000823923788 603455230 /nfs/dbraw/zinc/45/52/30/603455230.db2.gz KCLDDGWHRIVJFZ-UHFFFAOYSA-N -1 0 371.438 -0.781 20 0 FBADRM CC(C)(CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)NC(=O)[O-] ZINC000823924327 603444115 /nfs/dbraw/zinc/44/41/15/603444115.db2.gz MZHBBGORAPEAGI-UHFFFAOYSA-N -1 0 355.395 -0.835 20 0 FBADRM CC(C)(CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)NC(=O)[O-] ZINC000823925722 603544634 /nfs/dbraw/zinc/54/46/34/603544634.db2.gz XUTKYAYBQUWBAF-UHFFFAOYSA-N -1 0 371.438 -0.781 20 0 FBADRM CC(C)(CNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)NC(=O)[O-] ZINC000823925754 603446115 /nfs/dbraw/zinc/44/61/15/603446115.db2.gz YVFNDPFEOWCGOE-UHFFFAOYSA-N -1 0 369.422 -0.491 20 0 FBADRM CC(C)(CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1)NC(=O)[O-] ZINC000823931106 604121912 /nfs/dbraw/zinc/12/19/12/604121912.db2.gz XJDSYVJRUNHPKX-UHFFFAOYSA-N -1 0 364.468 -0.159 20 0 FBADRM CC(C)(CNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000823936216 604006108 /nfs/dbraw/zinc/00/61/08/604006108.db2.gz AINIWGWUWKBCLT-SECBINFHSA-N -1 0 364.424 -0.975 20 0 FBADRM CC(C)(CNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000823936217 604006551 /nfs/dbraw/zinc/00/65/51/604006551.db2.gz AINIWGWUWKBCLT-VIFPVBQESA-N -1 0 364.424 -0.975 20 0 FBADRM CC(C)(CNC(=O)NCCNS(=O)(=O)c1cccnc1)NC(=O)[O-] ZINC000823936273 605526235 /nfs/dbraw/zinc/52/62/35/605526235.db2.gz BHBBINLBIUCDDH-UHFFFAOYSA-N -1 0 359.408 -0.295 20 0 FBADRM CC(C)(CNC(=O)NCCN1CCN(C(=O)[O-])CC1)S(C)(=O)=O ZINC000823936583 604135245 /nfs/dbraw/zinc/13/52/45/604135245.db2.gz IWINPUXYBDIKFO-UHFFFAOYSA-N -1 0 350.441 -0.596 20 0 FBADRM CC(C)(CNC(=O)NCCS(=O)(=O)N1CCSCC1)NC(=O)[O-] ZINC000823936737 604120776 /nfs/dbraw/zinc/12/07/76/604120776.db2.gz PMBDHZUJWNFNTI-UHFFFAOYSA-N -1 0 368.481 -0.290 20 0 FBADRM CC(C)(CNC(=O)NCCNS(=O)(=O)Cc1ccon1)NC(=O)[O-] ZINC000823936769 604077498 /nfs/dbraw/zinc/07/74/98/604077498.db2.gz QWQVRXJWHWGBII-UHFFFAOYSA-N -1 0 363.396 -0.561 20 0 FBADRM CC(C)(CNC(=O)NCCCN1CCN(C(=O)[O-])CC1)S(C)(=O)=O ZINC000823936782 604133012 /nfs/dbraw/zinc/13/30/12/604133012.db2.gz RMMCMAJKQBSOSO-UHFFFAOYSA-N -1 0 364.468 -0.206 20 0 FBADRM CC(C)(CNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)NC(=O)[O-] ZINC000823947146 603598039 /nfs/dbraw/zinc/59/80/39/603598039.db2.gz QEKRHSLEGGIVHW-UHFFFAOYSA-N -1 0 368.394 -0.090 20 0 FBADRM CC(C)(CNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)NC(=O)[O-] ZINC000823947162 603561051 /nfs/dbraw/zinc/56/10/51/603561051.db2.gz QIUIBOUZFRMXAS-UHFFFAOYSA-N -1 0 368.394 -0.090 20 0 FBADRM CC(C)(CNC(=O)[O-])C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000823950375 603617111 /nfs/dbraw/zinc/61/71/11/603617111.db2.gz AKURUWYOMPSBLB-UHFFFAOYSA-N -1 0 356.423 -0.717 20 0 FBADRM CC(C)(CNC(=O)[O-])C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000823951354 603637394 /nfs/dbraw/zinc/63/73/94/603637394.db2.gz IKNGBGHJINALOT-UHFFFAOYSA-N -1 0 368.390 -0.900 20 0 FBADRM CC(C)(CNC(=O)[O-])C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000823952011 603676899 /nfs/dbraw/zinc/67/68/99/603676899.db2.gz MGQYQYGVPAEHLG-GFCCVEGCSA-N -1 0 356.423 -0.671 20 0 FBADRM CC(C)(CNC(=O)[O-])C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000823952012 603676886 /nfs/dbraw/zinc/67/68/86/603676886.db2.gz MGQYQYGVPAEHLG-LBPRGKRZSA-N -1 0 356.423 -0.671 20 0 FBADRM CC(C)(CNC(=O)[O-])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000823952426 603620869 /nfs/dbraw/zinc/62/08/69/603620869.db2.gz PSMZVRFTTFGHTN-UHFFFAOYSA-N -1 0 356.423 -0.717 20 0 FBADRM CC(C)(CNC(=O)[O-])C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000823952760 603690396 /nfs/dbraw/zinc/69/03/96/603690396.db2.gz UUHRBDHNKDHVIR-UHFFFAOYSA-N -1 0 374.419 -0.058 20 0 FBADRM CC(C)(CNC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000823952762 603633546 /nfs/dbraw/zinc/63/35/46/603633546.db2.gz UVYLWNNPUAVPSS-UHFFFAOYSA-N -1 0 354.407 -0.427 20 0 FBADRM CC(C)(CNC(=O)[O-])C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 ZINC000823953151 603669156 /nfs/dbraw/zinc/66/91/56/603669156.db2.gz YBFCTHCENKHPIA-UHFFFAOYSA-N -1 0 370.435 -0.085 20 0 FBADRM CC(C)(CNC(=O)[O-])C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000823960329 603633209 /nfs/dbraw/zinc/63/32/09/603633209.db2.gz ABYYYBJVCOSOFT-UHFFFAOYSA-N -1 0 350.375 -0.188 20 0 FBADRM CC(C)(CNC(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000823960392 603669541 /nfs/dbraw/zinc/66/95/41/603669541.db2.gz DDPUOKUDDDNZMM-LLVKDONJSA-N -1 0 365.452 -0.115 20 0 FBADRM CC(C)(CNC(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000823960393 603669599 /nfs/dbraw/zinc/66/95/99/603669599.db2.gz DDPUOKUDDDNZMM-NSHDSACASA-N -1 0 365.452 -0.115 20 0 FBADRM CC(C)(CNC(=O)[O-])C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000823960489 603663361 /nfs/dbraw/zinc/66/33/61/603663361.db2.gz IZYQWRXJQZLISM-UHFFFAOYSA-N -1 0 353.466 -0.225 20 0 FBADRM CC(C)(CNC(=O)[O-])C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000823969391 603684833 /nfs/dbraw/zinc/68/48/33/603684833.db2.gz MGLVMVAOGZPXNB-UHFFFAOYSA-N -1 0 353.379 -0.026 20 0 FBADRM CC(C)(CNC(=O)[O-])C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000823969864 603677248 /nfs/dbraw/zinc/67/72/48/603677248.db2.gz WOOYRADTIXEXCV-UHFFFAOYSA-N -1 0 353.379 -0.026 20 0 FBADRM CC(C)(CNC(=O)[O-])C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000823973668 661098186 /nfs/dbraw/zinc/09/81/86/661098186.db2.gz XCLXOQVKWKPQIH-UHFFFAOYSA-N -1 0 355.391 -0.096 20 0 FBADRM CC(C)(CNC(=O)[O-])NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000823978655 605230330 /nfs/dbraw/zinc/23/03/30/605230330.db2.gz JREBDTUPFPJRGS-UHFFFAOYSA-N -1 0 358.376 -0.565 20 0 FBADRM CC(C)(CNC(=O)[O-])NC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000823979311 605617361 /nfs/dbraw/zinc/61/73/61/605617361.db2.gz RSSYVISYLUPVDL-UHFFFAOYSA-N -1 0 364.468 -0.159 20 0 FBADRM CC(=O)N1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC12CCCCC2 ZINC000823981938 608244967 /nfs/dbraw/zinc/24/49/67/608244967.db2.gz TTWDIYDISYXTAA-UHFFFAOYSA-N -1 0 373.421 -0.148 20 0 FBADRM CC(=O)N1CCN([C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C)CC1 ZINC000823982089 609221898 /nfs/dbraw/zinc/22/18/98/609221898.db2.gz VNKKRBCEIOONHB-ABAIWWIYSA-N -1 0 372.433 -0.181 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C)CC1 ZINC000823982121 609222323 /nfs/dbraw/zinc/22/23/23/609222323.db2.gz VNKKRBCEIOONHB-IAQYHMDHSA-N -1 0 372.433 -0.181 20 0 FBADRM CC(=O)N1CCN([C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2C)CC1 ZINC000823982123 609222100 /nfs/dbraw/zinc/22/21/00/609222100.db2.gz VNKKRBCEIOONHB-NHYWBVRUSA-N -1 0 372.433 -0.181 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2C)CC1 ZINC000823982125 609222081 /nfs/dbraw/zinc/22/20/81/609222081.db2.gz VNKKRBCEIOONHB-XHDPSFHLSA-N -1 0 372.433 -0.181 20 0 FBADRM CC(=O)N1CCN([C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)CC1 ZINC000823982272 607749262 /nfs/dbraw/zinc/74/92/62/607749262.db2.gz YLHRMMYWVCQXLX-ABAIWWIYSA-N -1 0 372.433 -0.181 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)CC1 ZINC000823982273 607749046 /nfs/dbraw/zinc/74/90/46/607749046.db2.gz YLHRMMYWVCQXLX-IAQYHMDHSA-N -1 0 372.433 -0.181 20 0 FBADRM CC(=O)N1CCN([C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C)CC1 ZINC000823982274 607749226 /nfs/dbraw/zinc/74/92/26/607749226.db2.gz YLHRMMYWVCQXLX-NHYWBVRUSA-N -1 0 372.433 -0.181 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C)CC1 ZINC000823982275 607749070 /nfs/dbraw/zinc/74/90/70/607749070.db2.gz YLHRMMYWVCQXLX-XHDPSFHLSA-N -1 0 372.433 -0.181 20 0 FBADRM CC(C)(CNC(=O)[O-])NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000823985785 605614390 /nfs/dbraw/zinc/61/43/90/605614390.db2.gz FLNGFMYPRIDDQP-UHFFFAOYSA-N -1 0 368.481 -0.290 20 0 FBADRM CC(C)(CNC(=O)[O-])NC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000823986505 661098223 /nfs/dbraw/zinc/09/82/23/661098223.db2.gz RIUFLVWHFHLELL-UHFFFAOYSA-N -1 0 363.396 -0.561 20 0 FBADRM CC(C)(CNC(=O)[O-])NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000823990823 604395138 /nfs/dbraw/zinc/39/51/38/604395138.db2.gz HBXOTSSERBSQKX-UHFFFAOYSA-N -1 0 368.394 -0.090 20 0 FBADRM CC(C)(CNC(=O)[O-])NC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000823991338 604393473 /nfs/dbraw/zinc/39/34/73/604393473.db2.gz OCFRRWLYKUHLGL-UHFFFAOYSA-N -1 0 368.394 -0.090 20 0 FBADRM CC(C)(CNC(=O)[O-])NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000823991843 602844930 /nfs/dbraw/zinc/84/49/30/602844930.db2.gz SPSUWUNSRKYTCE-UHFFFAOYSA-N -1 0 357.388 -0.278 20 0 FBADRM CC(=O)Nc1ccc(C(=O)Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)cc1 ZINC000824000219 608095609 /nfs/dbraw/zinc/09/56/09/608095609.db2.gz ZXZPUYHOPUTUIL-UHFFFAOYSA-N -1 0 369.341 -0.432 20 0 FBADRM CC(C)(CNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)NC(=O)[O-] ZINC000824002156 603661197 /nfs/dbraw/zinc/66/11/97/603661197.db2.gz YYTFRZQYBUMKTL-UHFFFAOYSA-N -1 0 357.388 -0.278 20 0 FBADRM CC(C)(CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)NC(=O)[O-] ZINC000824011541 603470387 /nfs/dbraw/zinc/47/03/87/603470387.db2.gz RXSQUILBASOBDL-UHFFFAOYSA-N -1 0 351.406 -0.342 20 0 FBADRM CC(C)(CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)NC(=O)[O-] ZINC000824011638 603470314 /nfs/dbraw/zinc/47/03/14/603470314.db2.gz WYNANJKPKNRGER-UHFFFAOYSA-N -1 0 356.360 -0.459 20 0 FBADRM CC(C)(CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)NC(=O)[O-] ZINC000824011678 603471705 /nfs/dbraw/zinc/47/17/05/603471705.db2.gz YURBNGATKCJAHA-UHFFFAOYSA-N -1 0 351.406 -0.342 20 0 FBADRM CC(=O)c1ccc(-c2nn[nH]n2)cc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000824019819 609422816 /nfs/dbraw/zinc/42/28/16/609422816.db2.gz PIOPWCRHCNBDRK-LLVKDONJSA-N -1 0 355.358 -0.784 20 0 FBADRM CC(=O)c1ccc(-c2nn[nH]n2)cc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000824019820 609422902 /nfs/dbraw/zinc/42/29/02/609422902.db2.gz PIOPWCRHCNBDRK-NSHDSACASA-N -1 0 355.358 -0.784 20 0 FBADRM CC(=O)c1ccc(CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)nc1C ZINC000824024514 608076735 /nfs/dbraw/zinc/07/67/35/608076735.db2.gz HWYAZWQIBGUHNI-UHFFFAOYSA-N -1 0 370.373 -0.218 20 0 FBADRM CC(C)(NC(=O)[O-])c1noc(COC(=O)CN2C(=O)NC(=O)C2(C)C)n1 ZINC000824029358 603835392 /nfs/dbraw/zinc/83/53/92/603835392.db2.gz DQLUUTZFHSJAAC-UHFFFAOYSA-N -1 0 369.334 -0.054 20 0 FBADRM CC(C)(NC(=O)[O-])c1noc(CN2CCN(C(C)(C)C(N)=O)CC2)n1 ZINC000824030394 603917229 /nfs/dbraw/zinc/91/72/29/603917229.db2.gz VXGZROOYBYTYTH-UHFFFAOYSA-N -1 0 354.411 -0.046 20 0 FBADRM CC(C)(NS(C)(=O)=O)C(=O)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000824034353 604070895 /nfs/dbraw/zinc/07/08/95/604070895.db2.gz BRQDSCXNHNKLFH-UHFFFAOYSA-N -1 0 365.452 -0.021 20 0 FBADRM CC(C)(NS(C)(=O)=O)C(=O)OCc1nc(C(C)(C)NC(=O)[O-])no1 ZINC000824035434 603613711 /nfs/dbraw/zinc/61/37/11/603613711.db2.gz QSFJXMMBKXJBAJ-UHFFFAOYSA-N -1 0 364.380 -0.057 20 0 FBADRM CC(C)(O)CN1CCN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CC1 ZINC000824035467 603762088 /nfs/dbraw/zinc/76/20/88/603762088.db2.gz SEVKDMAVJZWYBU-UHFFFAOYSA-N -1 0 356.467 -0.024 20 0 FBADRM CC(C)(O)CNC(=O)C[C@@]1(C(=O)NCC(C)(C)O)CCN(C(=O)[O-])C1 ZINC000824035469 603868025 /nfs/dbraw/zinc/86/80/25/603868025.db2.gz SFTWJWQJASVXIP-INIZCTEOSA-N -1 0 359.423 -0.479 20 0 FBADRM CC(C)(O)CNC(=O)C[C@]1(C(=O)NCC(C)(C)O)CCN(C(=O)[O-])C1 ZINC000824035471 603867990 /nfs/dbraw/zinc/86/79/90/603867990.db2.gz SFTWJWQJASVXIP-MRXNPFEDSA-N -1 0 359.423 -0.479 20 0 FBADRM CC(C)C(=O)N1CCN(CN2C[C@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000824044196 603594753 /nfs/dbraw/zinc/59/47/53/603594753.db2.gz PZZJLOUXOXHACB-CYBMUJFWSA-N -1 0 353.423 -0.156 20 0 FBADRM CC(C)C(=O)N1CCN(CN2C[C@@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000824044197 603594881 /nfs/dbraw/zinc/59/48/81/603594881.db2.gz PZZJLOUXOXHACB-ZDUSSCGKSA-N -1 0 353.423 -0.156 20 0 FBADRM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000824054758 603534209 /nfs/dbraw/zinc/53/42/09/603534209.db2.gz CFUFRNNYRLORIM-CYBMUJFWSA-N -1 0 361.424 -0.503 20 0 FBADRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000824054759 603534902 /nfs/dbraw/zinc/53/49/02/603534902.db2.gz CFUFRNNYRLORIM-ZDUSSCGKSA-N -1 0 361.424 -0.503 20 0 FBADRM CC(C)[C@@H](C(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O)N1CCCS1(=O)=O ZINC000824055258 605551727 /nfs/dbraw/zinc/55/17/27/605551727.db2.gz FOEMCUFAPLAKPY-NEPJUHHUSA-N -1 0 362.404 -0.089 20 0 FBADRM CC(C)[C@H](C(=O)O[C@H]1CN(C(=O)[O-])CCC1=O)N1CCCS1(=O)=O ZINC000824055261 605551603 /nfs/dbraw/zinc/55/16/03/605551603.db2.gz FOEMCUFAPLAKPY-NWDGAFQWSA-N -1 0 362.404 -0.089 20 0 FBADRM CC(C)[C@@H](C(=O)O[C@H]1CN(C(=O)[O-])CCC1=O)N1CCCS1(=O)=O ZINC000824055263 605551512 /nfs/dbraw/zinc/55/15/12/605551512.db2.gz FOEMCUFAPLAKPY-RYUDHWBXSA-N -1 0 362.404 -0.089 20 0 FBADRM CC(C)[C@H](C(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O)N1CCCS1(=O)=O ZINC000824055264 605551586 /nfs/dbraw/zinc/55/15/86/605551586.db2.gz FOEMCUFAPLAKPY-VXGBXAGGSA-N -1 0 362.404 -0.089 20 0 FBADRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000824057514 604322922 /nfs/dbraw/zinc/32/29/22/604322922.db2.gz RWQYMVFSAYMOKU-AWEZNQCLSA-N -1 0 364.468 -0.638 20 0 FBADRM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000824057518 604322850 /nfs/dbraw/zinc/32/28/50/604322850.db2.gz RWQYMVFSAYMOKU-CQSZACIVSA-N -1 0 364.468 -0.638 20 0 FBADRM CC(C)[C@@H](CCN(C)C(=O)Cn1cc(S(N)(=O)=O)cn1)NC(=O)[O-] ZINC000824077552 603607007 /nfs/dbraw/zinc/60/70/07/603607007.db2.gz BYWTWKNXUHUWIC-LLVKDONJSA-N -1 0 361.424 -0.329 20 0 FBADRM CC(C)[C@H](CCN(C)C(=O)Cn1cc(S(N)(=O)=O)cn1)NC(=O)[O-] ZINC000824077553 603606976 /nfs/dbraw/zinc/60/69/76/603606976.db2.gz BYWTWKNXUHUWIC-NSHDSACASA-N -1 0 361.424 -0.329 20 0 FBADRM CC(C)[C@H](CCN(C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)NC(=O)[O-] ZINC000824098621 603852143 /nfs/dbraw/zinc/85/21/43/603852143.db2.gz KJGVBCPXEIRTTD-JTQLQIEISA-N -1 0 369.422 -0.537 20 0 FBADRM CC(C)[C@@H](CCN(C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)NC(=O)[O-] ZINC000824098622 603851864 /nfs/dbraw/zinc/85/18/64/603851864.db2.gz KJGVBCPXEIRTTD-SNVBAGLBSA-N -1 0 369.422 -0.537 20 0 FBADRM CC(C)(C)OC(=O)N1CC(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000824103923 608101469 /nfs/dbraw/zinc/10/14/69/608101469.db2.gz MHNNDVPPWLTCOW-UHFFFAOYSA-N -1 0 363.382 -0.559 20 0 FBADRM CC(C)[C@@H](CNC(=O)N(C)CCN1CCCS1(=O)=O)NC(=O)[O-] ZINC000824110413 603856567 /nfs/dbraw/zinc/85/65/67/603856567.db2.gz JLKBBQKVHXJYSQ-LLVKDONJSA-N -1 0 350.441 -0.045 20 0 FBADRM CC(C)[C@H](CNC(=O)N(C)CCN1CCCS1(=O)=O)NC(=O)[O-] ZINC000824110414 603856446 /nfs/dbraw/zinc/85/64/46/603856446.db2.gz JLKBBQKVHXJYSQ-NSHDSACASA-N -1 0 350.441 -0.045 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)NC(=O)[O-] ZINC000824110455 603775232 /nfs/dbraw/zinc/77/52/32/603775232.db2.gz KLLZLVMJLVJBJY-LLVKDONJSA-N -1 0 368.394 -0.682 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)NC(=O)[O-] ZINC000824110456 603775311 /nfs/dbraw/zinc/77/53/11/603775311.db2.gz KLLZLVMJLVJBJY-NSHDSACASA-N -1 0 368.394 -0.682 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)NC(=O)[O-] ZINC000824112134 604145088 /nfs/dbraw/zinc/14/50/88/604145088.db2.gz XSFYMBWHESSDFB-JTQLQIEISA-N -1 0 368.394 -0.682 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)NC(=O)[O-] ZINC000824112135 604145285 /nfs/dbraw/zinc/14/52/85/604145285.db2.gz XSFYMBWHESSDFB-SNVBAGLBSA-N -1 0 368.394 -0.682 20 0 FBADRM CC(C)[C@@H](CNC(=O)N1CCN(c2nccn(C)c2=O)CC1)NC(=O)[O-] ZINC000824115669 604144603 /nfs/dbraw/zinc/14/46/03/604144603.db2.gz DKSKANXLIIVWOD-GFCCVEGCSA-N -1 0 366.422 -0.096 20 0 FBADRM CC(C)[C@H](CNC(=O)N1CCN(c2nccn(C)c2=O)CC1)NC(=O)[O-] ZINC000824115670 604144636 /nfs/dbraw/zinc/14/46/36/604144636.db2.gz DKSKANXLIIVWOD-LBPRGKRZSA-N -1 0 366.422 -0.096 20 0 FBADRM CC(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)NC(=O)[O-] ZINC000824123824 602949096 /nfs/dbraw/zinc/94/90/96/602949096.db2.gz SPDZUFDUGMAKRE-GFCCVEGCSA-N -1 0 371.415 -0.032 20 0 FBADRM CC(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)NC(=O)[O-] ZINC000824123825 602949104 /nfs/dbraw/zinc/94/91/04/602949104.db2.gz SPDZUFDUGMAKRE-LBPRGKRZSA-N -1 0 371.415 -0.032 20 0 FBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000824135742 603072375 /nfs/dbraw/zinc/07/23/75/603072375.db2.gz HBKHYIJBVBVIKJ-GFCCVEGCSA-N -1 0 374.419 -0.059 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000824135743 603072473 /nfs/dbraw/zinc/07/24/73/603072473.db2.gz HBKHYIJBVBVIKJ-LBPRGKRZSA-N -1 0 374.419 -0.059 20 0 FBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000824181345 603532374 /nfs/dbraw/zinc/53/23/74/603532374.db2.gz ALHFOUVQJSISRD-JTQLQIEISA-N -1 0 361.424 -0.503 20 0 FBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000824181346 603532022 /nfs/dbraw/zinc/53/20/22/603532022.db2.gz ALHFOUVQJSISRD-SNVBAGLBSA-N -1 0 361.424 -0.503 20 0 FBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000824184089 604322887 /nfs/dbraw/zinc/32/28/87/604322887.db2.gz WVYSWTGNTNDPIV-GFCCVEGCSA-N -1 0 364.468 -0.638 20 0 FBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000824184090 604322820 /nfs/dbraw/zinc/32/28/20/604322820.db2.gz WVYSWTGNTNDPIV-LBPRGKRZSA-N -1 0 364.468 -0.638 20 0 FBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000824189449 603663944 /nfs/dbraw/zinc/66/39/44/603663944.db2.gz KAHKKZWKSRCWRQ-LLVKDONJSA-N -1 0 350.441 -0.045 20 0 FBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000824189451 603663875 /nfs/dbraw/zinc/66/38/75/603663875.db2.gz KAHKKZWKSRCWRQ-NSHDSACASA-N -1 0 350.441 -0.045 20 0 FBADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000824195800 603664609 /nfs/dbraw/zinc/66/46/09/603664609.db2.gz DGETUDPFBNIQAC-LLVKDONJSA-N -1 0 365.452 -0.092 20 0 FBADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000824195801 603664816 /nfs/dbraw/zinc/66/48/16/603664816.db2.gz DGETUDPFBNIQAC-NSHDSACASA-N -1 0 365.452 -0.092 20 0 FBADRM CC(C)[C@H](O)C(C)(C)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000824199375 607819811 /nfs/dbraw/zinc/81/98/11/607819811.db2.gz IWPUPSZTPZQRSX-JTQLQIEISA-N -1 0 351.411 -0.281 20 0 FBADRM CC(C)[C@@H](O)C(C)(C)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000824199376 607819913 /nfs/dbraw/zinc/81/99/13/607819913.db2.gz IWPUPSZTPZQRSX-SNVBAGLBSA-N -1 0 351.411 -0.281 20 0 FBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000824210664 603932368 /nfs/dbraw/zinc/93/23/68/603932368.db2.gz IRLQXJVHNSWCFG-LLVKDONJSA-N -1 0 350.441 -0.899 20 0 FBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000824210665 605159182 /nfs/dbraw/zinc/15/91/82/605159182.db2.gz IRLQXJVHNSWCFG-NSHDSACASA-N -1 0 350.441 -0.899 20 0 FBADRM CC(C)CCOCCNC(=O)CN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O ZINC000824243898 605350372 /nfs/dbraw/zinc/35/03/72/605350372.db2.gz BIJMTQDVKFBTIB-INIZCTEOSA-N -1 0 370.406 -0.160 20 0 FBADRM CC(C)CCOCCNC(=O)CN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O ZINC000824243908 605350849 /nfs/dbraw/zinc/35/08/49/605350849.db2.gz BIJMTQDVKFBTIB-MRXNPFEDSA-N -1 0 370.406 -0.160 20 0 FBADRM CC(C)CN(C(=O)Cn1nnnc1CNC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000824251537 605175732 /nfs/dbraw/zinc/17/57/32/605175732.db2.gz JWCMVAMYKLRAFT-JTQLQIEISA-N -1 0 374.423 -0.888 20 0 FBADRM CC(C)CN(C(=O)Cn1nnnc1CNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000824251542 605175746 /nfs/dbraw/zinc/17/57/46/605175746.db2.gz JWCMVAMYKLRAFT-SNVBAGLBSA-N -1 0 374.423 -0.888 20 0 FBADRM CC(C)CN1C(=O)C(=O)N(CN2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)C1=O ZINC000824256625 604436684 /nfs/dbraw/zinc/43/66/84/604436684.db2.gz GBCZPBFSEREBAX-GHMZBOCLSA-N -1 0 356.379 -0.252 20 0 FBADRM CC(C)CN1C(=O)C(=O)N(CN2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)C1=O ZINC000824256630 604436675 /nfs/dbraw/zinc/43/66/75/604436675.db2.gz GBCZPBFSEREBAX-MNOVXSKESA-N -1 0 356.379 -0.252 20 0 FBADRM CC(C)CN1C(=O)C(=O)N(CN2CCO[C@H]([C@H](C)NC(=O)[O-])C2)C1=O ZINC000824256632 604436665 /nfs/dbraw/zinc/43/66/65/604436665.db2.gz GBCZPBFSEREBAX-QWRGUYRKSA-N -1 0 356.379 -0.252 20 0 FBADRM CC(C)CN1C(=O)C(=O)N(CN2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)C1=O ZINC000824256633 604436354 /nfs/dbraw/zinc/43/63/54/604436354.db2.gz GBCZPBFSEREBAX-WDEREUQCSA-N -1 0 356.379 -0.252 20 0 FBADRM CC(C)CNC(=O)CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000824262857 603917276 /nfs/dbraw/zinc/91/72/76/603917276.db2.gz KENCVAIOWPWXSD-UHFFFAOYSA-N -1 0 362.452 -0.932 20 0 FBADRM CC(C)CNC(=O)NC(=O)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000824264271 603870973 /nfs/dbraw/zinc/87/09/73/603870973.db2.gz XHUXSYWLGBJAHF-UHFFFAOYSA-N -1 0 369.378 -0.467 20 0 FBADRM CC(C)CS(=O)(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000824282835 603919155 /nfs/dbraw/zinc/91/91/55/603919155.db2.gz LGZVCDNRHMBSBK-UHFFFAOYSA-N -1 0 369.465 -0.718 20 0 FBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000824282867 605632068 /nfs/dbraw/zinc/63/20/68/605632068.db2.gz MARCFACISZBMFZ-MNOVXSKESA-N -1 0 363.436 -0.570 20 0 FBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000824282870 605632092 /nfs/dbraw/zinc/63/20/92/605632092.db2.gz MARCFACISZBMFZ-QWRGUYRKSA-N -1 0 363.436 -0.570 20 0 FBADRM CC(C)CS(=O)(=O)CC(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000824283224 603957340 /nfs/dbraw/zinc/95/73/40/603957340.db2.gz XQFJVMQTLILMHF-UHFFFAOYSA-N -1 0 374.423 -0.386 20 0 FBADRM CC(C)N(C(=O)Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O)C1CCCC1 ZINC000824284588 608095564 /nfs/dbraw/zinc/09/55/64/608095564.db2.gz JVEFJJRSILCQGL-UHFFFAOYSA-N -1 0 361.406 -0.093 20 0 FBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000824287217 605644271 /nfs/dbraw/zinc/64/42/71/605644271.db2.gz BNBJRYHXSGSGJT-ZDUSSCGKSA-N -1 0 368.434 -0.038 20 0 FBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000824287458 605692258 /nfs/dbraw/zinc/69/22/58/605692258.db2.gz OQJPRZZMXNZFJM-NSHDSACASA-N -1 0 353.383 -0.974 20 0 FBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000824287481 605642542 /nfs/dbraw/zinc/64/25/42/605642542.db2.gz PNWBJTBIAHPAFT-LBPRGKRZSA-N -1 0 354.407 -0.382 20 0 FBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000824287507 605583160 /nfs/dbraw/zinc/58/31/60/605583160.db2.gz QRRFILJYISXZNP-AWEZNQCLSA-N -1 0 370.450 -0.328 20 0 FBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000824287613 605593811 /nfs/dbraw/zinc/59/38/11/605593811.db2.gz WGJMHOZVXHXCAD-AWEZNQCLSA-N -1 0 370.450 -0.328 20 0 FBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000824287617 605618685 /nfs/dbraw/zinc/61/86/85/605618685.db2.gz WVNIZRQUXHDMJZ-NSHDSACASA-N -1 0 350.441 -0.381 20 0 FBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000824287650 605591103 /nfs/dbraw/zinc/59/11/03/605591103.db2.gz ZUKUGQKQYURDID-LBPRGKRZSA-N -1 0 356.423 -0.136 20 0 FBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000824294700 605678726 /nfs/dbraw/zinc/67/87/26/605678726.db2.gz FJXHPMLIPZXEGK-NSHDSACASA-N -1 0 351.425 -0.553 20 0 FBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000824294702 605663259 /nfs/dbraw/zinc/66/32/59/605663259.db2.gz FLWAEFXNPYIOFN-LBPRGKRZSA-N -1 0 364.468 -0.638 20 0 FBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000824294822 605632138 /nfs/dbraw/zinc/63/21/38/605632138.db2.gz PAVNJDLPQCGVJB-MNOVXSKESA-N -1 0 363.436 -0.522 20 0 FBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000824294823 605632054 /nfs/dbraw/zinc/63/20/54/605632054.db2.gz PAVNJDLPQCGVJB-QWRGUYRKSA-N -1 0 363.436 -0.522 20 0 FBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000824305352 605324409 /nfs/dbraw/zinc/32/44/09/605324409.db2.gz SJCLRSAKZIRDGX-QMMMGPOBSA-N -1 0 370.362 -0.926 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN(C)[C@@H](C)CNC(=O)[O-])c(=O)n(C)c1=O ZINC000824318738 603559031 /nfs/dbraw/zinc/55/90/31/603559031.db2.gz RTAMKESPGSGDCE-JTQLQIEISA-N -1 0 369.422 -0.444 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN(C)[C@H](C)CNC(=O)[O-])c(=O)n(C)c1=O ZINC000824318739 603559550 /nfs/dbraw/zinc/55/95/50/603559550.db2.gz RTAMKESPGSGDCE-SNVBAGLBSA-N -1 0 369.422 -0.444 20 0 FBADRM CC(C)Cn1cc(NC(=O)C(=O)NCCN2CCN(C(=O)[O-])CC2)cn1 ZINC000824319017 604906536 /nfs/dbraw/zinc/90/65/36/604906536.db2.gz ZOHFWDLVFZZJLT-UHFFFAOYSA-N -1 0 366.422 -0.111 20 0 FBADRM CC(C)N(C)C(=O)C1CCN(C(=O)Cn2nnnc2CNC(=O)[O-])CC1 ZINC000824323646 605178638 /nfs/dbraw/zinc/17/86/38/605178638.db2.gz IBRYXIYAYCFANA-UHFFFAOYSA-N -1 0 367.410 -0.454 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c1 ZINC000824323659 604227684 /nfs/dbraw/zinc/22/76/84/604227684.db2.gz IUNYNEOMJYWEND-UHFFFAOYSA-N -1 0 373.435 -0.360 20 0 FBADRM CC(C)N(CCC(=O)N1CCN(CCS(N)(=O)=O)CC1)C(=O)[O-] ZINC000824336426 603932302 /nfs/dbraw/zinc/93/23/02/603932302.db2.gz QBFVVEVRMMJVAR-UHFFFAOYSA-N -1 0 350.441 -0.802 20 0 FBADRM CC(C)N(CCCNC(=O)CNS(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000824340982 603529791 /nfs/dbraw/zinc/52/97/91/603529791.db2.gz ANBVQNWWLIQIGE-UHFFFAOYSA-N -1 0 361.424 -0.407 20 0 FBADRM CC(C)N(CCCNC(=O)CN1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000824340995 604357268 /nfs/dbraw/zinc/35/72/68/604357268.db2.gz AUTLWFZOYIDFJH-UHFFFAOYSA-N -1 0 364.468 -0.542 20 0 FBADRM COC1(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)CS(=O)(=O)C1 ZINC000824346463 661099532 /nfs/dbraw/zinc/09/95/32/661099532.db2.gz UMNYSWBAJWXXHH-RKDXNWHRSA-N -1 0 372.365 -0.142 20 0 FBADRM CC(C)N1C(=O)C[C@@H](NC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)C1=O ZINC000824351064 604058411 /nfs/dbraw/zinc/05/84/11/604058411.db2.gz JNMLEJPBEUSHLR-LLVKDONJSA-N -1 0 354.407 -0.287 20 0 FBADRM CC(C)N1C(=O)C[C@H](NC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)C1=O ZINC000824351067 604058404 /nfs/dbraw/zinc/05/84/04/604058404.db2.gz JNMLEJPBEUSHLR-NSHDSACASA-N -1 0 354.407 -0.287 20 0 FBADRM CC(C)N1C(=O)CN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1(C)C ZINC000824351644 603080674 /nfs/dbraw/zinc/08/06/74/603080674.db2.gz PIXOGEBAFONIQW-UHFFFAOYSA-N -1 0 354.407 -0.334 20 0 FBADRM CC(C)N1CC[C@@H](N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)C1=O ZINC000824356866 604099040 /nfs/dbraw/zinc/09/90/40/604099040.db2.gz KCDYKMFRHREBJT-CYBMUJFWSA-N -1 0 374.463 -0.695 20 0 FBADRM CC(C)N1CC[C@H](N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)C1=O ZINC000824356867 604098842 /nfs/dbraw/zinc/09/88/42/604098842.db2.gz KCDYKMFRHREBJT-ZDUSSCGKSA-N -1 0 374.463 -0.695 20 0 FBADRM CC(C)N1C[C@H](NC(=O)NCCCN2CCN(C(=O)[O-])CC2)CC1=O ZINC000824357036 604164316 /nfs/dbraw/zinc/16/43/16/604164316.db2.gz LKMLMQLHRLBXAM-CYBMUJFWSA-N -1 0 355.439 -0.019 20 0 FBADRM CC(C)N1C[C@@H](NC(=O)NCCCN2CCN(C(=O)[O-])CC2)CC1=O ZINC000824357037 604164145 /nfs/dbraw/zinc/16/41/45/604164145.db2.gz LKMLMQLHRLBXAM-ZDUSSCGKSA-N -1 0 355.439 -0.019 20 0 FBADRM CC(C)N1C[C@H](NC(=O)N(C)CCN2CCN(C(=O)[O-])CC2)CC1=O ZINC000824357134 604173643 /nfs/dbraw/zinc/17/36/43/604173643.db2.gz NDELGBRZWGPICZ-CYBMUJFWSA-N -1 0 355.439 -0.067 20 0 FBADRM CC(C)N1C[C@@H](NC(=O)N(C)CCN2CCN(C(=O)[O-])CC2)CC1=O ZINC000824357136 604173252 /nfs/dbraw/zinc/17/32/52/604173252.db2.gz NDELGBRZWGPICZ-ZDUSSCGKSA-N -1 0 355.439 -0.067 20 0 FBADRM CC(C)N1C[C@H](NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1=O ZINC000824358065 604164538 /nfs/dbraw/zinc/16/45/38/604164538.db2.gz ZEWQYCUYRADVSF-LLVKDONJSA-N -1 0 355.395 -0.883 20 0 FBADRM CC(C)N1C[C@@H](NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1=O ZINC000824358119 604164466 /nfs/dbraw/zinc/16/44/66/604164466.db2.gz ZEWQYCUYRADVSF-NSHDSACASA-N -1 0 355.395 -0.883 20 0 FBADRM CC(C)c1nnc([C@@H](C)Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)[nH]1 ZINC000824358712 608099168 /nfs/dbraw/zinc/09/91/68/608099168.db2.gz OQZCGWXKIHFOIR-SSDOTTSWSA-N -1 0 360.382 -0.321 20 0 FBADRM CC(C)c1nnc([C@H](C)Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)[nH]1 ZINC000824358713 608099185 /nfs/dbraw/zinc/09/91/85/608099185.db2.gz OQZCGWXKIHFOIR-ZETCQYMHSA-N -1 0 360.382 -0.321 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000824362277 603434464 /nfs/dbraw/zinc/43/44/64/603434464.db2.gz AFQLHODSTLQWRN-NEPJUHHUSA-N -1 0 354.407 -0.382 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000824362278 603434391 /nfs/dbraw/zinc/43/43/91/603434391.db2.gz AFQLHODSTLQWRN-NWDGAFQWSA-N -1 0 354.407 -0.382 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000824362279 603435031 /nfs/dbraw/zinc/43/50/31/603435031.db2.gz AFQLHODSTLQWRN-RYUDHWBXSA-N -1 0 354.407 -0.382 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000824362280 603435122 /nfs/dbraw/zinc/43/51/22/603435122.db2.gz AFQLHODSTLQWRN-VXGBXAGGSA-N -1 0 354.407 -0.382 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000824362513 603820370 /nfs/dbraw/zinc/82/03/70/603820370.db2.gz DKTPDFIHOFFJKQ-HNNXBMFYSA-N -1 0 358.370 -0.726 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000824362514 603820168 /nfs/dbraw/zinc/82/01/68/603820168.db2.gz DKTPDFIHOFFJKQ-OAHLLOKOSA-N -1 0 358.370 -0.726 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@]2(C)CCN(C(=O)[O-])C2)CC1 ZINC000824362520 603867462 /nfs/dbraw/zinc/86/74/62/603867462.db2.gz DSRDYAOAEDRFJI-INIZCTEOSA-N -1 0 354.407 -0.428 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@]2(C)CCN(C(=O)[O-])C2)CC1 ZINC000824362521 603867317 /nfs/dbraw/zinc/86/73/17/603867317.db2.gz DSRDYAOAEDRFJI-MRXNPFEDSA-N -1 0 354.407 -0.428 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)CC2(NC(=O)[O-])CCC2)CC1 ZINC000824363057 604072342 /nfs/dbraw/zinc/07/23/42/604072342.db2.gz MLCDAONFDJIRGL-UHFFFAOYSA-N -1 0 354.407 -0.238 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)C[C@H]2CCCN2C(=O)[O-])CC1 ZINC000824363136 603261005 /nfs/dbraw/zinc/26/10/05/603261005.db2.gz OFSZCIZDZLYWRB-GFCCVEGCSA-N -1 0 354.407 -0.286 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)C[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000824363137 603260920 /nfs/dbraw/zinc/26/09/20/603260920.db2.gz OFSZCIZDZLYWRB-LBPRGKRZSA-N -1 0 354.407 -0.286 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)NCC(C)(C)NC(=O)[O-])CC1 ZINC000824367080 603446249 /nfs/dbraw/zinc/44/62/49/603446249.db2.gz CHWICKAKLHKKID-UHFFFAOYSA-N -1 0 357.411 -0.589 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)CN(CC2CC2)C(=O)[O-])CC1 ZINC000824368168 603260950 /nfs/dbraw/zinc/26/09/50/603260950.db2.gz JXBPVRKIIXHHBG-UHFFFAOYSA-N -1 0 354.407 -0.428 20 0 FBADRM CC(C)NC(=O)CN1CCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000824368534 605241960 /nfs/dbraw/zinc/24/19/60/605241960.db2.gz MDRBXTHQQJAAMT-AWEZNQCLSA-N -1 0 370.450 -0.186 20 0 FBADRM CC(C)NC(=O)CN1CCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000824368535 605241662 /nfs/dbraw/zinc/24/16/62/605241662.db2.gz MDRBXTHQQJAAMT-CQSZACIVSA-N -1 0 370.450 -0.186 20 0 FBADRM CC(C)NC(=O)CN1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000824368579 604654187 /nfs/dbraw/zinc/65/41/87/604654187.db2.gz NGCYVRWIIQYCBG-CYBMUJFWSA-N -1 0 356.423 -0.576 20 0 FBADRM CC(C)NC(=O)CN1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000824368580 604654027 /nfs/dbraw/zinc/65/40/27/604654027.db2.gz NGCYVRWIIQYCBG-ZDUSSCGKSA-N -1 0 356.423 -0.576 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H](NC(=O)[O-])C(C)(C)C)CC1 ZINC000824368943 605590791 /nfs/dbraw/zinc/59/07/91/605590791.db2.gz PJKXWBKSATXYRM-LLVKDONJSA-N -1 0 356.423 -0.136 20 0 FBADRM CC(C)NC(=O)CCN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000824368967 604099291 /nfs/dbraw/zinc/09/92/91/604099291.db2.gz PSNZRYNCISZVGW-UHFFFAOYSA-N -1 0 362.452 -0.789 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(CNC(=O)[O-])o2)CC1 ZINC000824370011 603261135 /nfs/dbraw/zinc/26/11/35/603261135.db2.gz YECMVISTCQZAJE-UHFFFAOYSA-N -1 0 366.374 -0.144 20 0 FBADRM CC(C)NC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000824373397 604438866 /nfs/dbraw/zinc/43/88/66/604438866.db2.gz KHHMBDIZDONMKQ-LBPRGKRZSA-N -1 0 369.422 -0.493 20 0 FBADRM CC(C)NC(=O)N1CCC[C@H]1C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000824373643 604434668 /nfs/dbraw/zinc/43/46/68/604434668.db2.gz LXKZPEIXHDSOKR-ZDUSSCGKSA-N -1 0 355.439 -0.019 20 0 FBADRM C[C@H](C1CC1)N(C(=O)Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O)C1CC1 ZINC000824377848 608095551 /nfs/dbraw/zinc/09/55/51/608095551.db2.gz PLXDHMGOFCBOGN-SECBINFHSA-N -1 0 359.390 -0.483 20 0 FBADRM C[C@@H](C1CC1)N(C(=O)Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O)C1CC1 ZINC000824377849 608095601 /nfs/dbraw/zinc/09/56/01/608095601.db2.gz PLXDHMGOFCBOGN-VIFPVBQESA-N -1 0 359.390 -0.483 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000824380595 661099481 /nfs/dbraw/zinc/09/94/81/661099481.db2.gz ABFCELHLHRJDHQ-NXEZZACHSA-N -1 0 351.425 -0.066 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000824380596 661099525 /nfs/dbraw/zinc/09/95/25/661099525.db2.gz ABFCELHLHRJDHQ-UWVGGRQHSA-N -1 0 351.425 -0.066 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000824380597 661099393 /nfs/dbraw/zinc/09/93/93/661099393.db2.gz ABFCELHLHRJDHQ-VHSXEESVSA-N -1 0 351.425 -0.066 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000824380599 661099318 /nfs/dbraw/zinc/09/93/18/661099318.db2.gz ABFCELHLHRJDHQ-ZJUUUORDSA-N -1 0 351.425 -0.066 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824382908 605283143 /nfs/dbraw/zinc/28/31/43/605283143.db2.gz UVOPKYBUTJWDNI-LLVKDONJSA-N -1 0 351.425 -0.411 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000824382909 605283007 /nfs/dbraw/zinc/28/30/07/605283007.db2.gz UVOPKYBUTJWDNI-NSHDSACASA-N -1 0 351.425 -0.411 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000824383226 604547102 /nfs/dbraw/zinc/54/71/02/604547102.db2.gz YBLPITKKVZDXGW-GHMZBOCLSA-N -1 0 366.440 -0.619 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000824383228 604547255 /nfs/dbraw/zinc/54/72/55/604547255.db2.gz YBLPITKKVZDXGW-MNOVXSKESA-N -1 0 366.440 -0.619 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000824383231 604546990 /nfs/dbraw/zinc/54/69/90/604546990.db2.gz YBLPITKKVZDXGW-QWRGUYRKSA-N -1 0 366.440 -0.619 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000824383232 604547801 /nfs/dbraw/zinc/54/78/01/604547801.db2.gz YBLPITKKVZDXGW-WDEREUQCSA-N -1 0 366.440 -0.619 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000824383267 605654819 /nfs/dbraw/zinc/65/48/19/605654819.db2.gz ZAMCSJFLMFCLFJ-JTQLQIEISA-N -1 0 353.466 -0.084 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000824383268 605654650 /nfs/dbraw/zinc/65/46/50/605654650.db2.gz ZAMCSJFLMFCLFJ-SNVBAGLBSA-N -1 0 353.466 -0.084 20 0 FBADRM CC(C)OC(=O)CCN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000824388778 603917179 /nfs/dbraw/zinc/91/71/79/603917179.db2.gz PVWDREOAFYCGIW-UHFFFAOYSA-N -1 0 363.436 -0.362 20 0 FBADRM CC(C)OC(=O)[C@H](C)CNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000824389253 603737505 /nfs/dbraw/zinc/73/75/05/603737505.db2.gz VSCVDYZCYJAWRJ-LLVKDONJSA-N -1 0 358.395 -0.305 20 0 FBADRM CC(C)OC(=O)[C@@H](C)CNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000824389254 603737807 /nfs/dbraw/zinc/73/78/07/603737807.db2.gz VSCVDYZCYJAWRJ-NSHDSACASA-N -1 0 358.395 -0.305 20 0 FBADRM CC(C)OC[C@H](O)CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000824393018 605478748 /nfs/dbraw/zinc/47/87/48/605478748.db2.gz FHWAASBYTYCWKW-GFCCVEGCSA-N -1 0 365.452 -0.918 20 0 FBADRM CC(C)OC[C@@H](O)CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000824393020 605479145 /nfs/dbraw/zinc/47/91/45/605479145.db2.gz FHWAASBYTYCWKW-LBPRGKRZSA-N -1 0 365.452 -0.918 20 0 FBADRM CC(C)OCCC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000824394764 603939384 /nfs/dbraw/zinc/93/93/84/603939384.db2.gz VVYZQSYBIFFVRK-UHFFFAOYSA-N -1 0 363.436 -0.362 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@@H](C)NC(=O)[O-])CC1 ZINC000824398343 604208305 /nfs/dbraw/zinc/20/83/05/604208305.db2.gz CTCKSZUTFWPWLC-LLVKDONJSA-N -1 0 351.425 -0.459 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@H](C)NC(=O)[O-])CC1 ZINC000824398345 604208697 /nfs/dbraw/zinc/20/86/97/604208697.db2.gz CTCKSZUTFWPWLC-NSHDSACASA-N -1 0 351.425 -0.459 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000824398408 604045391 /nfs/dbraw/zinc/04/53/91/604045391.db2.gz FAPBTSAQSUTOSL-GFCCVEGCSA-N -1 0 365.452 -0.163 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000824398410 604045311 /nfs/dbraw/zinc/04/53/11/604045311.db2.gz FAPBTSAQSUTOSL-LBPRGKRZSA-N -1 0 365.452 -0.163 20 0 FBADRM CC(C)OCCN1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000824399121 603881267 /nfs/dbraw/zinc/88/12/67/603881267.db2.gz LHDMGAWRUJWBKH-UHFFFAOYSA-N -1 0 356.423 -0.622 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCN(C(=O)NCCNC(=O)[O-])CC1 ZINC000824399442 603566908 /nfs/dbraw/zinc/56/69/08/603566908.db2.gz PGOIKLNLMAGELM-UHFFFAOYSA-N -1 0 366.440 -0.664 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000824399695 604208740 /nfs/dbraw/zinc/20/87/40/604208740.db2.gz RCCWGLCKMIGOMT-UHFFFAOYSA-N -1 0 365.452 -0.068 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCN(C(=O)CCCNC(=O)[O-])CC1 ZINC000824399786 604208485 /nfs/dbraw/zinc/20/84/85/604208485.db2.gz SNNCXVCPGKUOAO-UHFFFAOYSA-N -1 0 365.452 -0.067 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000824399929 604208589 /nfs/dbraw/zinc/20/85/89/604208589.db2.gz UUMNEXBCTHYQNA-UHFFFAOYSA-N -1 0 351.425 -0.505 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCN(C(=O)CCNC(=O)[O-])CC1 ZINC000824399936 604208674 /nfs/dbraw/zinc/20/86/74/604208674.db2.gz VKFPZFGKGFCTDT-UHFFFAOYSA-N -1 0 351.425 -0.457 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000824400054 604521398 /nfs/dbraw/zinc/52/13/98/604521398.db2.gz YUSKEFIZNFTLDV-UHFFFAOYSA-N -1 0 363.436 -0.314 20 0 FBADRM CC(C)OCCS(=O)(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000824400085 604046325 /nfs/dbraw/zinc/04/63/25/604046325.db2.gz ZLIWUQGBXVMIML-UHFFFAOYSA-N -1 0 351.425 -0.505 20 0 FBADRM C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000824400124 609400011 /nfs/dbraw/zinc/40/00/11/609400011.db2.gz AKIPALRVYKMYGX-SECBINFHSA-N -1 0 365.398 -0.122 20 0 FBADRM C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000824400125 609400172 /nfs/dbraw/zinc/40/01/72/609400172.db2.gz AKIPALRVYKMYGX-VIFPVBQESA-N -1 0 365.398 -0.122 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(C(=O)[O-])C[C@H]1C ZINC000824404044 603681916 /nfs/dbraw/zinc/68/19/16/603681916.db2.gz ABANWZCYXOKHPH-LLVKDONJSA-N -1 0 351.425 -0.459 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000824404045 603681938 /nfs/dbraw/zinc/68/19/38/603681938.db2.gz ABANWZCYXOKHPH-NSHDSACASA-N -1 0 351.425 -0.459 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000824404069 603681947 /nfs/dbraw/zinc/68/19/47/603681947.db2.gz AVHWQOKUVDEZRC-GFCCVEGCSA-N -1 0 365.452 -0.068 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCC[C@H]1CN(C)C(=O)[O-] ZINC000824404070 603681905 /nfs/dbraw/zinc/68/19/05/603681905.db2.gz AVHWQOKUVDEZRC-LBPRGKRZSA-N -1 0 365.452 -0.068 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCC(NC(=O)[O-])CC1 ZINC000824404108 603678372 /nfs/dbraw/zinc/67/83/72/603678372.db2.gz BSKWCDHLZXRISO-UHFFFAOYSA-N -1 0 351.425 -0.411 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000824404114 603683468 /nfs/dbraw/zinc/68/34/68/603683468.db2.gz CACNDXUMZRIBRN-LLVKDONJSA-N -1 0 351.425 -0.459 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000824404115 603683438 /nfs/dbraw/zinc/68/34/38/603683438.db2.gz CACNDXUMZRIBRN-NSHDSACASA-N -1 0 351.425 -0.459 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000824404122 603681974 /nfs/dbraw/zinc/68/19/74/603681974.db2.gz CBOKCMBLEZPEQT-LLVKDONJSA-N -1 0 351.425 -0.411 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000824404123 603682073 /nfs/dbraw/zinc/68/20/73/603682073.db2.gz CBOKCMBLEZPEQT-NSHDSACASA-N -1 0 351.425 -0.411 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000824404317 603680869 /nfs/dbraw/zinc/68/08/69/603680869.db2.gz GIBQKIOMDLCQAB-GFCCVEGCSA-N -1 0 365.452 -0.163 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000824404318 603680637 /nfs/dbraw/zinc/68/06/37/603680637.db2.gz GIBQKIOMDLCQAB-LBPRGKRZSA-N -1 0 365.452 -0.163 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000824404450 603680556 /nfs/dbraw/zinc/68/05/56/603680556.db2.gz HXYHAFZKOISECY-UHFFFAOYSA-N -1 0 365.452 -0.163 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000824404522 603681961 /nfs/dbraw/zinc/68/19/61/603681961.db2.gz JIOGFQCRSZEXGG-LLVKDONJSA-N -1 0 351.425 -0.411 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000824404523 603682049 /nfs/dbraw/zinc/68/20/49/603682049.db2.gz JIOGFQCRSZEXGG-NSHDSACASA-N -1 0 351.425 -0.411 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000824404603 603680669 /nfs/dbraw/zinc/68/06/69/603680669.db2.gz JVUIBAFHDHMMJR-LLVKDONJSA-N -1 0 351.425 -0.553 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000824404604 603681912 /nfs/dbraw/zinc/68/19/12/603681912.db2.gz JVUIBAFHDHMMJR-NSHDSACASA-N -1 0 351.425 -0.553 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000824404697 603681926 /nfs/dbraw/zinc/68/19/26/603681926.db2.gz LNIBEUVGDUHCAL-RYUDHWBXSA-N -1 0 365.452 -0.070 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000824404699 603681997 /nfs/dbraw/zinc/68/19/97/603681997.db2.gz LNIBEUVGDUHCAL-TXEJJXNPSA-N -1 0 365.452 -0.070 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1 ZINC000824404702 603682035 /nfs/dbraw/zinc/68/20/35/603682035.db2.gz LNIBEUVGDUHCAL-VXGBXAGGSA-N -1 0 365.452 -0.070 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000824404731 605749614 /nfs/dbraw/zinc/74/96/14/605749614.db2.gz MBVFUIMTKKPFLK-NEPJUHHUSA-N -1 0 365.452 -0.022 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C ZINC000824404732 605749432 /nfs/dbraw/zinc/74/94/32/605749432.db2.gz MBVFUIMTKKPFLK-NWDGAFQWSA-N -1 0 365.452 -0.022 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C ZINC000824404733 605749623 /nfs/dbraw/zinc/74/96/23/605749623.db2.gz MBVFUIMTKKPFLK-RYUDHWBXSA-N -1 0 365.452 -0.022 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000824404734 605749306 /nfs/dbraw/zinc/74/93/06/605749306.db2.gz MBVFUIMTKKPFLK-VXGBXAGGSA-N -1 0 365.452 -0.022 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000824404735 603680506 /nfs/dbraw/zinc/68/05/06/603680506.db2.gz MDAIRXCXWWYLMA-GFCCVEGCSA-N -1 0 365.452 -0.163 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824404736 603680861 /nfs/dbraw/zinc/68/08/61/603680861.db2.gz MDAIRXCXWWYLMA-LBPRGKRZSA-N -1 0 365.452 -0.163 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000824404827 603681936 /nfs/dbraw/zinc/68/19/36/603681936.db2.gz NSPXCPXKJRIESC-NEPJUHHUSA-N -1 0 365.452 -0.165 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000824404829 603681956 /nfs/dbraw/zinc/68/19/56/603681956.db2.gz NSPXCPXKJRIESC-NWDGAFQWSA-N -1 0 365.452 -0.165 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000824404831 603682028 /nfs/dbraw/zinc/68/20/28/603682028.db2.gz NSPXCPXKJRIESC-RYUDHWBXSA-N -1 0 365.452 -0.165 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000824404833 603681995 /nfs/dbraw/zinc/68/19/95/603681995.db2.gz NSPXCPXKJRIESC-VXGBXAGGSA-N -1 0 365.452 -0.165 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824404853 603682782 /nfs/dbraw/zinc/68/27/82/603682782.db2.gz OAZVYWDCBJLKJF-LLVKDONJSA-N -1 0 351.425 -0.411 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000824404855 603682745 /nfs/dbraw/zinc/68/27/45/603682745.db2.gz OAZVYWDCBJLKJF-NSHDSACASA-N -1 0 351.425 -0.411 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000824404857 603682634 /nfs/dbraw/zinc/68/26/34/603682634.db2.gz ODDQKJGAACGKKP-LLVKDONJSA-N -1 0 351.425 -0.459 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000824404858 603682739 /nfs/dbraw/zinc/68/27/39/603682739.db2.gz ODDQKJGAACGKKP-NSHDSACASA-N -1 0 351.425 -0.459 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000824404991 603514248 /nfs/dbraw/zinc/51/42/48/603514248.db2.gz PIRGDGHRMGEHFT-LLVKDONJSA-N -1 0 351.425 -0.459 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000824404992 603514019 /nfs/dbraw/zinc/51/40/19/603514019.db2.gz PIRGDGHRMGEHFT-NSHDSACASA-N -1 0 351.425 -0.459 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000824405003 603682642 /nfs/dbraw/zinc/68/26/42/603682642.db2.gz PQWIOBZFYXPTDG-UHFFFAOYSA-N -1 0 365.452 -0.068 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(C(=O)[O-])CC1(C)C ZINC000824405026 603682656 /nfs/dbraw/zinc/68/26/56/603682656.db2.gz QRLMYBVEYUABKN-UHFFFAOYSA-N -1 0 365.452 -0.068 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC[C@H]1CCCCN1C(=O)[O-] ZINC000824405042 603680509 /nfs/dbraw/zinc/68/05/09/603680509.db2.gz RBBQBCVZEZOODN-GFCCVEGCSA-N -1 0 365.452 -0.021 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC[C@@H]1CCCCN1C(=O)[O-] ZINC000824405043 603680837 /nfs/dbraw/zinc/68/08/37/603680837.db2.gz RBBQBCVZEZOODN-LBPRGKRZSA-N -1 0 365.452 -0.021 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N(C)C1CCN(C(=O)[O-])CC1 ZINC000824405114 603678695 /nfs/dbraw/zinc/67/86/95/603678695.db2.gz SXOXXCGNXIMJOJ-UHFFFAOYSA-N -1 0 365.452 -0.068 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000824405200 603678536 /nfs/dbraw/zinc/67/85/36/603678536.db2.gz VQXIFHZKLAPOEE-UHFFFAOYSA-N -1 0 351.425 -0.411 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000824405227 603680542 /nfs/dbraw/zinc/68/05/42/603680542.db2.gz WBMVMGFKFUPVIF-LLVKDONJSA-N -1 0 351.425 -0.411 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCC[C@H](NC(=O)[O-])C1 ZINC000824405228 603680770 /nfs/dbraw/zinc/68/07/70/603680770.db2.gz WBMVMGFKFUPVIF-NSHDSACASA-N -1 0 351.425 -0.411 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCCC[C@@H]1CNC(=O)[O-] ZINC000824405279 603680626 /nfs/dbraw/zinc/68/06/26/603680626.db2.gz WHWJPVFMEZSWKG-GFCCVEGCSA-N -1 0 365.452 -0.021 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCCC[C@H]1CNC(=O)[O-] ZINC000824405280 603680501 /nfs/dbraw/zinc/68/05/01/603680501.db2.gz WHWJPVFMEZSWKG-LBPRGKRZSA-N -1 0 365.452 -0.021 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000824405297 603777770 /nfs/dbraw/zinc/77/77/70/603777770.db2.gz XBGMIHQFMGCDNC-LLVKDONJSA-N -1 0 366.392 -0.805 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000824405298 603777807 /nfs/dbraw/zinc/77/78/07/603777807.db2.gz XBGMIHQFMGCDNC-NSHDSACASA-N -1 0 366.392 -0.805 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000824405330 603682651 /nfs/dbraw/zinc/68/26/51/603682651.db2.gz YHFJZZKHVHVYEW-GFCCVEGCSA-N -1 0 365.452 -0.068 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000824405331 603682640 /nfs/dbraw/zinc/68/26/40/603682640.db2.gz YHFJZZKHVHVYEW-LBPRGKRZSA-N -1 0 365.452 -0.068 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCC(CNC(=O)[O-])CC1 ZINC000824405342 603680499 /nfs/dbraw/zinc/68/04/99/603680499.db2.gz YNZNOMBCODFAPC-UHFFFAOYSA-N -1 0 365.452 -0.163 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000824405343 603682718 /nfs/dbraw/zinc/68/27/18/603682718.db2.gz YOCRUCYMVDFYJE-GFCCVEGCSA-N -1 0 365.452 -0.211 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000824405344 603682674 /nfs/dbraw/zinc/68/26/74/603682674.db2.gz YOCRUCYMVDFYJE-LBPRGKRZSA-N -1 0 365.452 -0.211 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N1CCCN(C(=O)[O-])CC1 ZINC000824405395 603680502 /nfs/dbraw/zinc/68/05/02/603680502.db2.gz ZYVGMCCLCRAMJV-UHFFFAOYSA-N -1 0 351.425 -0.457 20 0 FBADRM C[C@H](CN(C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)c1nccs1 ZINC000824413341 661099791 /nfs/dbraw/zinc/09/97/91/661099791.db2.gz KUTMDFJWMNROHF-MRVPVSSYSA-N -1 0 362.419 -0.040 20 0 FBADRM C[C@@H](CN(C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)c1nccs1 ZINC000824413342 661099734 /nfs/dbraw/zinc/09/97/34/661099734.db2.gz KUTMDFJWMNROHF-QMMMGPOBSA-N -1 0 362.419 -0.040 20 0 FBADRM C[C@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)CNC(=O)OC(C)(C)C ZINC000824422383 607560903 /nfs/dbraw/zinc/56/09/03/607560903.db2.gz YXVXVKCFZMPKSE-SECBINFHSA-N -1 0 365.398 -0.265 20 0 FBADRM C[C@@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)CNC(=O)OC(C)(C)C ZINC000824422384 607560536 /nfs/dbraw/zinc/56/05/36/607560536.db2.gz YXVXVKCFZMPKSE-VIFPVBQESA-N -1 0 365.398 -0.265 20 0 FBADRM CC(C)SCC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000824430860 603938865 /nfs/dbraw/zinc/93/88/65/603938865.db2.gz BEIJJNYNWKVGCE-UHFFFAOYSA-N -1 0 365.477 -0.036 20 0 FBADRM CC(C)S(=O)(=O)CCCOC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000824431246 604284590 /nfs/dbraw/zinc/28/45/90/604284590.db2.gz KKTVUDDTNQCHQU-UHFFFAOYSA-N -1 0 350.393 -0.435 20 0 FBADRM CC(C)S(=O)(=O)CC(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000824431392 603953415 /nfs/dbraw/zinc/95/34/15/603953415.db2.gz LWVINFXVBVFGBY-UHFFFAOYSA-N -1 0 360.396 -0.634 20 0 FBADRM CC(C)c1cc(NC(=O)C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)no1 ZINC000824459801 604139818 /nfs/dbraw/zinc/13/98/18/604139818.db2.gz QLWBLPFEFAWUBR-UHFFFAOYSA-N -1 0 367.362 -0.325 20 0 FBADRM CC(C)c1nc(S(=O)(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)c[nH]1 ZINC000824487879 603446240 /nfs/dbraw/zinc/44/62/40/603446240.db2.gz LWPRSCASMQVAKP-UHFFFAOYSA-N -1 0 373.435 -0.024 20 0 FBADRM CC(C)c1nc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c[nH]1 ZINC000824489318 603446076 /nfs/dbraw/zinc/44/60/76/603446076.db2.gz ZABXUEHWRXQZAV-UHFFFAOYSA-N -1 0 359.408 -0.366 20 0 FBADRM C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccc(-n2ccnn2)cc1 ZINC000824490944 607913469 /nfs/dbraw/zinc/91/34/69/607913469.db2.gz RTFMHJPKJWZXHJ-JTQLQIEISA-N -1 0 365.361 -0.084 20 0 FBADRM C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccc(-n2ccnn2)cc1 ZINC000824490945 607913570 /nfs/dbraw/zinc/91/35/70/607913570.db2.gz RTFMHJPKJWZXHJ-SNVBAGLBSA-N -1 0 365.361 -0.084 20 0 FBADRM CC(C)n1cc(NC(=O)C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)cn1 ZINC000824520005 603775260 /nfs/dbraw/zinc/77/52/60/603775260.db2.gz DYFLOBCKCUHIMC-UHFFFAOYSA-N -1 0 366.378 -0.659 20 0 FBADRM CC(C)n1cc(NC(=O)C(=O)NCCN2CCN(C(=O)[O-])CC2)cn1 ZINC000824520009 603773737 /nfs/dbraw/zinc/77/37/37/603773737.db2.gz FDFIBSKCPZQIRH-UHFFFAOYSA-N -1 0 352.395 -0.186 20 0 FBADRM CC(C)n1cc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)cn1 ZINC000824520032 603107841 /nfs/dbraw/zinc/10/78/41/603107841.db2.gz GBZCOUTYHFQABW-UHFFFAOYSA-N -1 0 359.408 -0.436 20 0 FBADRM CC(C)n1cc(S(=O)(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)cn1 ZINC000824520451 603108139 /nfs/dbraw/zinc/10/81/39/603108139.db2.gz UWUYPSIEQZMFCT-UHFFFAOYSA-N -1 0 373.435 -0.093 20 0 FBADRM CC(C)n1nccc1NC(=O)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000824534411 604050209 /nfs/dbraw/zinc/05/02/09/604050209.db2.gz JYRVIHLBGLCNPL-UHFFFAOYSA-N -1 0 352.395 -0.186 20 0 FBADRM CC(C)n1nnnc1CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000824534657 604099302 /nfs/dbraw/zinc/09/93/02/604099302.db2.gz ODTNQVHVSSHWPP-UHFFFAOYSA-N -1 0 373.439 -0.936 20 0 FBADRM CC(C)n1nccc1NC(=O)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000824535397 604052156 /nfs/dbraw/zinc/05/21/56/604052156.db2.gz WQSDDCKSIMEXQP-UHFFFAOYSA-N -1 0 366.378 -0.659 20 0 FBADRM C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000824543732 603829551 /nfs/dbraw/zinc/82/95/51/603829551.db2.gz LECVVNAQNIOOFW-ADEWGFFLSA-N -1 0 366.374 -0.129 20 0 FBADRM C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000824543733 603829307 /nfs/dbraw/zinc/82/93/07/603829307.db2.gz LECVVNAQNIOOFW-JLLWLGSASA-N -1 0 366.374 -0.129 20 0 FBADRM C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000824543734 603829531 /nfs/dbraw/zinc/82/95/31/603829531.db2.gz LECVVNAQNIOOFW-USWWRNFRSA-N -1 0 366.374 -0.129 20 0 FBADRM C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000824543735 603829429 /nfs/dbraw/zinc/82/94/29/603829429.db2.gz LECVVNAQNIOOFW-YUSALJHKSA-N -1 0 366.374 -0.129 20 0 FBADRM C[C@H](CC(=O)N1CCN(CC(=O)Nc2nncs2)CC1)NC(=O)[O-] ZINC000824589261 602914401 /nfs/dbraw/zinc/91/44/01/602914401.db2.gz ATPPFGOTGKAKES-SECBINFHSA-N -1 0 356.408 -0.333 20 0 FBADRM C[C@@H](CC(=O)N1CCN(CC(=O)Nc2nncs2)CC1)NC(=O)[O-] ZINC000824589262 602914199 /nfs/dbraw/zinc/91/41/99/602914199.db2.gz ATPPFGOTGKAKES-VIFPVBQESA-N -1 0 356.408 -0.333 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCN(C(=O)C[C@@H](C)NC(=O)[O-])CC1 ZINC000824598428 604208446 /nfs/dbraw/zinc/20/84/46/604208446.db2.gz DGALZJYCTVNQQE-GFCCVEGCSA-N -1 0 365.452 -0.068 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCN(C(=O)C[C@H](C)NC(=O)[O-])CC1 ZINC000824598429 604208580 /nfs/dbraw/zinc/20/85/80/604208580.db2.gz DGALZJYCTVNQQE-LBPRGKRZSA-N -1 0 365.452 -0.068 20 0 FBADRM C[C@@H](CC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)NC(=O)[O-] ZINC000824598874 603072234 /nfs/dbraw/zinc/07/22/34/603072234.db2.gz IBGRMSXTATUMTM-JTQLQIEISA-N -1 0 360.392 -0.305 20 0 FBADRM C[C@H](CC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)NC(=O)[O-] ZINC000824598875 603072299 /nfs/dbraw/zinc/07/22/99/603072299.db2.gz IBGRMSXTATUMTM-SNVBAGLBSA-N -1 0 360.392 -0.305 20 0 FBADRM C[C@H](CC(=O)N1CCN(S(N)(=O)=O)CC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824599642 604326982 /nfs/dbraw/zinc/32/69/82/604326982.db2.gz QPTDFMNAMWEWMT-NEPJUHHUSA-N -1 0 362.452 -0.250 20 0 FBADRM C[C@@H](CC(=O)N1CCN(S(N)(=O)=O)CC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824599643 604327178 /nfs/dbraw/zinc/32/71/78/604327178.db2.gz QPTDFMNAMWEWMT-NWDGAFQWSA-N -1 0 362.452 -0.250 20 0 FBADRM C[C@@H](CC(=O)N1CCN(S(N)(=O)=O)CC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824599644 604327244 /nfs/dbraw/zinc/32/72/44/604327244.db2.gz QPTDFMNAMWEWMT-RYUDHWBXSA-N -1 0 362.452 -0.250 20 0 FBADRM C[C@H](CC(=O)N1CCN(S(N)(=O)=O)CC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824599645 604327078 /nfs/dbraw/zinc/32/70/78/604327078.db2.gz QPTDFMNAMWEWMT-VXGBXAGGSA-N -1 0 362.452 -0.250 20 0 FBADRM C[C@H](CC(=O)N1CCN(S(N)(=O)=O)CC1)C1CCN(C(=O)[O-])CC1 ZINC000824599680 604811786 /nfs/dbraw/zinc/81/17/86/604811786.db2.gz RBTRUVJUECUTOR-LLVKDONJSA-N -1 0 362.452 -0.250 20 0 FBADRM C[C@@H](CC(=O)N1CCN(S(N)(=O)=O)CC1)C1CCN(C(=O)[O-])CC1 ZINC000824599681 604811918 /nfs/dbraw/zinc/81/19/18/604811918.db2.gz RBTRUVJUECUTOR-NSHDSACASA-N -1 0 362.452 -0.250 20 0 FBADRM C[C@@H](CC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)NC(=O)[O-] ZINC000824623240 602986572 /nfs/dbraw/zinc/98/65/72/602986572.db2.gz SCTHURKRBWIKKA-JTQLQIEISA-N -1 0 373.435 -0.264 20 0 FBADRM C[C@H](CC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)NC(=O)[O-] ZINC000824623242 602986229 /nfs/dbraw/zinc/98/62/29/602986229.db2.gz SCTHURKRBWIKKA-SNVBAGLBSA-N -1 0 373.435 -0.264 20 0 FBADRM C[C@H](CC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)NC(=O)[O-] ZINC000824634403 602813735 /nfs/dbraw/zinc/81/37/35/602813735.db2.gz DVIAOXCQDGCTHO-GFCCVEGCSA-N -1 0 364.406 -0.322 20 0 FBADRM C[C@@H](CC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)NC(=O)[O-] ZINC000824634404 602813877 /nfs/dbraw/zinc/81/38/77/602813877.db2.gz DVIAOXCQDGCTHO-LBPRGKRZSA-N -1 0 364.406 -0.322 20 0 FBADRM C[C@@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C(=O)OC(C)(C)C ZINC000824650628 608235506 /nfs/dbraw/zinc/23/55/06/608235506.db2.gz UBVGXENGHUEZPR-SSDOTTSWSA-N -1 0 351.367 -0.594 20 0 FBADRM C[C@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C(=O)OC(C)(C)C ZINC000824650630 608235413 /nfs/dbraw/zinc/23/54/13/608235413.db2.gz UBVGXENGHUEZPR-ZETCQYMHSA-N -1 0 351.367 -0.594 20 0 FBADRM C[C@H](CC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)NC(=O)[O-] ZINC000824656978 602915054 /nfs/dbraw/zinc/91/50/54/602915054.db2.gz VKIPJKHFOAVNMU-GHMZBOCLSA-N -1 0 351.425 -0.363 20 0 FBADRM C[C@H](CC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)NC(=O)[O-] ZINC000824656981 602914942 /nfs/dbraw/zinc/91/49/42/602914942.db2.gz VKIPJKHFOAVNMU-MNOVXSKESA-N -1 0 351.425 -0.363 20 0 FBADRM C[C@@H](CC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)NC(=O)[O-] ZINC000824656982 602915121 /nfs/dbraw/zinc/91/51/21/602915121.db2.gz VKIPJKHFOAVNMU-QWRGUYRKSA-N -1 0 351.425 -0.363 20 0 FBADRM C[C@@H](CC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)NC(=O)[O-] ZINC000824656983 602915086 /nfs/dbraw/zinc/91/50/86/602915086.db2.gz VKIPJKHFOAVNMU-WDEREUQCSA-N -1 0 351.425 -0.363 20 0 FBADRM C[C@H](CC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC(=O)[O-] ZINC000824657432 603351576 /nfs/dbraw/zinc/35/15/76/603351576.db2.gz YHOKYVADDZNMAD-LLVKDONJSA-N -1 0 362.386 -0.079 20 0 FBADRM C[C@@H](CC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC(=O)[O-] ZINC000824657433 603351539 /nfs/dbraw/zinc/35/15/39/603351539.db2.gz YHOKYVADDZNMAD-NSHDSACASA-N -1 0 362.386 -0.079 20 0 FBADRM C[C@H](CC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)NC(=O)[O-] ZINC000824663740 602930679 /nfs/dbraw/zinc/93/06/79/602930679.db2.gz DPOQYZAIVLMXAM-LLVKDONJSA-N -1 0 373.431 -0.038 20 0 FBADRM C[C@@H](CC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)NC(=O)[O-] ZINC000824663741 602930525 /nfs/dbraw/zinc/93/05/25/602930525.db2.gz DPOQYZAIVLMXAM-NSHDSACASA-N -1 0 373.431 -0.038 20 0 FBADRM C[C@@H](O)CN(Cc1ccccc1)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000824706910 607849327 /nfs/dbraw/zinc/84/93/27/607849327.db2.gz LTHCFDPSUOANAW-LLVKDONJSA-N -1 0 371.401 -0.349 20 0 FBADRM C[C@H](O)CN(Cc1ccccc1)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000824706911 607849263 /nfs/dbraw/zinc/84/92/63/607849263.db2.gz LTHCFDPSUOANAW-NSHDSACASA-N -1 0 371.401 -0.349 20 0 FBADRM CC(C)[C@@H](OC(=O)C[C@@H](C)NC(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000824710283 603982676 /nfs/dbraw/zinc/98/26/76/603982676.db2.gz HEMMBJHWYJFWTJ-CKYFFXLPSA-N -1 0 364.420 -0.096 20 0 FBADRM CC(C)[C@H](OC(=O)C[C@@H](C)NC(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000824710291 603982861 /nfs/dbraw/zinc/98/28/61/603982861.db2.gz HEMMBJHWYJFWTJ-FOGDFJRCSA-N -1 0 364.420 -0.096 20 0 FBADRM CC(C)[C@@H](OC(=O)C[C@@H](C)NC(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000824710293 603982648 /nfs/dbraw/zinc/98/26/48/603982648.db2.gz HEMMBJHWYJFWTJ-JFGNBEQYSA-N -1 0 364.420 -0.096 20 0 FBADRM CC(C)[C@H](OC(=O)C[C@@H](C)NC(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000824710295 603982714 /nfs/dbraw/zinc/98/27/14/603982714.db2.gz HEMMBJHWYJFWTJ-SCVCMEIPSA-N -1 0 364.420 -0.096 20 0 FBADRM C[C@H](CC(=O)OCC(=O)N1CCNC(=O)C1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824721518 604538424 /nfs/dbraw/zinc/53/84/24/604538424.db2.gz SUHISAMYYCJXJT-NEPJUHHUSA-N -1 0 355.391 -0.096 20 0 FBADRM C[C@@H](CC(=O)OCC(=O)N1CCNC(=O)C1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824721523 604538544 /nfs/dbraw/zinc/53/85/44/604538544.db2.gz SUHISAMYYCJXJT-NWDGAFQWSA-N -1 0 355.391 -0.096 20 0 FBADRM C[C@@H](CC(=O)OCC(=O)N1CCNC(=O)C1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824721525 604538391 /nfs/dbraw/zinc/53/83/91/604538391.db2.gz SUHISAMYYCJXJT-RYUDHWBXSA-N -1 0 355.391 -0.096 20 0 FBADRM C[C@H](CC(=O)OCC(=O)N1CCNC(=O)C1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824721527 604538532 /nfs/dbraw/zinc/53/85/32/604538532.db2.gz SUHISAMYYCJXJT-VXGBXAGGSA-N -1 0 355.391 -0.096 20 0 FBADRM C[C@H](CC(=O)O[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000824722290 603962378 /nfs/dbraw/zinc/96/23/78/603962378.db2.gz WDKGLVNAMJLGLO-BBBLOLIVSA-N -1 0 350.393 -0.390 20 0 FBADRM C[C@H](CC(=O)O[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000824722293 603962366 /nfs/dbraw/zinc/96/23/66/603962366.db2.gz WDKGLVNAMJLGLO-KXUCPTDWSA-N -1 0 350.393 -0.390 20 0 FBADRM C[C@H](CC(=O)O[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000824722294 603962491 /nfs/dbraw/zinc/96/24/91/603962491.db2.gz WDKGLVNAMJLGLO-OPRDCNLKSA-N -1 0 350.393 -0.390 20 0 FBADRM C[C@H](CC(=O)O[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000824722295 603962776 /nfs/dbraw/zinc/96/27/76/603962776.db2.gz WDKGLVNAMJLGLO-UTLUCORTSA-N -1 0 350.393 -0.390 20 0 FBADRM C[C@H](CC(=O)OCC(=O)N1CCNC(=O)C1)C1CCN(C(=O)[O-])CC1 ZINC000824723178 605234563 /nfs/dbraw/zinc/23/45/63/605234563.db2.gz ZQCQEPPJCABORH-LLVKDONJSA-N -1 0 355.391 -0.096 20 0 FBADRM C[C@@H](CC(=O)OCC(=O)N1CCNC(=O)C1)C1CCN(C(=O)[O-])CC1 ZINC000824723179 605234422 /nfs/dbraw/zinc/23/44/22/605234422.db2.gz ZQCQEPPJCABORH-NSHDSACASA-N -1 0 355.391 -0.096 20 0 FBADRM C[C@H](CC(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1)NC(=O)[O-] ZINC000824726941 603966791 /nfs/dbraw/zinc/96/67/91/603966791.db2.gz BIBAOAFEZPUOCD-MRVPVSSYSA-N -1 0 359.360 -0.138 20 0 FBADRM C[C@@H](CC(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1)NC(=O)[O-] ZINC000824726942 603966932 /nfs/dbraw/zinc/96/69/32/603966932.db2.gz BIBAOAFEZPUOCD-QMMMGPOBSA-N -1 0 359.360 -0.138 20 0 FBADRM C[C@H](CC(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1)NC(=O)[O-] ZINC000824729310 603981007 /nfs/dbraw/zinc/98/10/07/603981007.db2.gz PDYZPPNUUZTOOC-MRVPVSSYSA-N -1 0 359.360 -0.138 20 0 FBADRM C[C@@H](CC(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1)NC(=O)[O-] ZINC000824729311 603981001 /nfs/dbraw/zinc/98/10/01/603981001.db2.gz PDYZPPNUUZTOOC-QMMMGPOBSA-N -1 0 359.360 -0.138 20 0 FBADRM C[C@H](CC(=O)OCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NC(=O)[O-] ZINC000824729936 603976761 /nfs/dbraw/zinc/97/67/61/603976761.db2.gz STNFHAPASCYLAX-SECBINFHSA-N -1 0 367.362 -0.587 20 0 FBADRM C[C@@H](CC(=O)OCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NC(=O)[O-] ZINC000824729941 603976881 /nfs/dbraw/zinc/97/68/81/603976881.db2.gz STNFHAPASCYLAX-VIFPVBQESA-N -1 0 367.362 -0.587 20 0 FBADRM C[C@H](CC(=O)OCC(=O)Nc1ccccc1S(N)(=O)=O)NC(=O)[O-] ZINC000824730513 603971127 /nfs/dbraw/zinc/97/11/27/603971127.db2.gz XUTLBVIKYVQYLN-MRVPVSSYSA-N -1 0 359.360 -0.138 20 0 FBADRM C[C@@H](CC(=O)OCC(=O)Nc1ccccc1S(N)(=O)=O)NC(=O)[O-] ZINC000824730514 603971178 /nfs/dbraw/zinc/97/11/78/603971178.db2.gz XUTLBVIKYVQYLN-QMMMGPOBSA-N -1 0 359.360 -0.138 20 0 FBADRM C[C@H](CC(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C)NC(=O)[O-] ZINC000824736478 603969369 /nfs/dbraw/zinc/96/93/69/603969369.db2.gz QFKFBCXELYTKNG-MRVPVSSYSA-N -1 0 353.335 -0.977 20 0 FBADRM C[C@@H](CC(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C)NC(=O)[O-] ZINC000824736481 603969503 /nfs/dbraw/zinc/96/95/03/603969503.db2.gz QFKFBCXELYTKNG-QMMMGPOBSA-N -1 0 353.335 -0.977 20 0 FBADRM C[C@H](CCNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)NC(=O)[O-] ZINC000824785589 604143169 /nfs/dbraw/zinc/14/31/69/604143169.db2.gz GIADODLKBLNIMI-SECBINFHSA-N -1 0 354.367 -0.928 20 0 FBADRM C[C@@H](CCNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)NC(=O)[O-] ZINC000824785591 604143401 /nfs/dbraw/zinc/14/34/01/604143401.db2.gz GIADODLKBLNIMI-VIFPVBQESA-N -1 0 354.367 -0.928 20 0 FBADRM C[C@H](CCNC(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1)NC(=O)[O-] ZINC000824787491 604143185 /nfs/dbraw/zinc/14/31/85/604143185.db2.gz YDMIZKYNTCXDFD-SECBINFHSA-N -1 0 351.363 -0.116 20 0 FBADRM C[C@@H](CCNC(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1)NC(=O)[O-] ZINC000824787492 604143195 /nfs/dbraw/zinc/14/31/95/604143195.db2.gz YDMIZKYNTCXDFD-VIFPVBQESA-N -1 0 351.363 -0.116 20 0 FBADRM C[C@H](CCNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)NC(=O)[O-] ZINC000824787595 603773838 /nfs/dbraw/zinc/77/38/38/603773838.db2.gz ZPIRGSKYTBXHDS-SECBINFHSA-N -1 0 354.367 -0.928 20 0 FBADRM C[C@@H](CCNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)NC(=O)[O-] ZINC000824787596 603773849 /nfs/dbraw/zinc/77/38/49/603773849.db2.gz ZPIRGSKYTBXHDS-VIFPVBQESA-N -1 0 354.367 -0.928 20 0 FBADRM C[C@H](CCNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)NC(=O)[O-] ZINC000824793158 603562205 /nfs/dbraw/zinc/56/22/05/603562205.db2.gz FQIXSPJGGGQSFN-LLVKDONJSA-N -1 0 368.394 -0.090 20 0 FBADRM C[C@@H](CCNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)NC(=O)[O-] ZINC000824793159 603562076 /nfs/dbraw/zinc/56/20/76/603562076.db2.gz FQIXSPJGGGQSFN-NSHDSACASA-N -1 0 368.394 -0.090 20 0 FBADRM C[C@@H](CCNC(=O)NCCNS(=O)(=O)c1cccnc1)NC(=O)[O-] ZINC000824793831 605524532 /nfs/dbraw/zinc/52/45/32/605524532.db2.gz PQXDWURNACDMBJ-JTQLQIEISA-N -1 0 359.408 -0.295 20 0 FBADRM C[C@H](CCNC(=O)NCCNS(=O)(=O)c1cccnc1)NC(=O)[O-] ZINC000824793833 605524541 /nfs/dbraw/zinc/52/45/41/605524541.db2.gz PQXDWURNACDMBJ-SNVBAGLBSA-N -1 0 359.408 -0.295 20 0 FBADRM C[C@H](CCNC(=O)N1CCN(c2nccn(C)c2=O)CC1)NC(=O)[O-] ZINC000824794314 603545493 /nfs/dbraw/zinc/54/54/93/603545493.db2.gz SUCPRPAPWMEBIG-LLVKDONJSA-N -1 0 352.395 -0.342 20 0 FBADRM C[C@@H](CCNC(=O)N1CCN(c2nccn(C)c2=O)CC1)NC(=O)[O-] ZINC000824794316 603545332 /nfs/dbraw/zinc/54/53/32/603545332.db2.gz SUCPRPAPWMEBIG-NSHDSACASA-N -1 0 352.395 -0.342 20 0 FBADRM C[C@H](CCNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)NC(=O)[O-] ZINC000824802616 602793398 /nfs/dbraw/zinc/79/33/98/602793398.db2.gz MOVPMOQGLABVAZ-SECBINFHSA-N -1 0 357.388 -0.278 20 0 FBADRM C[C@@H](CCNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)NC(=O)[O-] ZINC000824802617 602793289 /nfs/dbraw/zinc/79/32/89/602793289.db2.gz MOVPMOQGLABVAZ-VIFPVBQESA-N -1 0 357.388 -0.278 20 0 FBADRM C[C@H](CCS(C)(=O)=O)NC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000824808621 604838236 /nfs/dbraw/zinc/83/82/36/604838236.db2.gz AHDOOEFSYIVUSJ-GFCCVEGCSA-N -1 0 364.468 -0.206 20 0 FBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000824808622 604838107 /nfs/dbraw/zinc/83/81/07/604838107.db2.gz AHDOOEFSYIVUSJ-LBPRGKRZSA-N -1 0 364.468 -0.206 20 0 FBADRM C[C@H](CCS(C)(=O)=O)NC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000824809034 604844850 /nfs/dbraw/zinc/84/48/50/604844850.db2.gz CZNLXDSIYDKCBL-GMTAPVOTSA-N -1 0 351.425 -0.124 20 0 FBADRM C[C@H](CCS(C)(=O)=O)NC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000824809036 604844575 /nfs/dbraw/zinc/84/45/75/604844575.db2.gz CZNLXDSIYDKCBL-MXWKQRLJSA-N -1 0 351.425 -0.124 20 0 FBADRM C[C@H](CCS(C)(=O)=O)NC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000824809038 604844917 /nfs/dbraw/zinc/84/49/17/604844917.db2.gz CZNLXDSIYDKCBL-OUAUKWLOSA-N -1 0 351.425 -0.124 20 0 FBADRM C[C@H](CCS(C)(=O)=O)NC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000824809040 604844744 /nfs/dbraw/zinc/84/47/44/604844744.db2.gz CZNLXDSIYDKCBL-VWYCJHECSA-N -1 0 351.425 -0.124 20 0 FBADRM C[C@H](CCS(C)(=O)=O)NC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000824809108 604838534 /nfs/dbraw/zinc/83/85/34/604838534.db2.gz DEBNHMDFNKXIJU-LLVKDONJSA-N -1 0 350.441 -0.596 20 0 FBADRM C[C@@H](CCS(C)(=O)=O)NC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000824809109 604838294 /nfs/dbraw/zinc/83/82/94/604838294.db2.gz DEBNHMDFNKXIJU-NSHDSACASA-N -1 0 350.441 -0.596 20 0 FBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000824839248 604108570 /nfs/dbraw/zinc/10/85/70/604108570.db2.gz ACEKXGSMOZYXLC-LLVKDONJSA-N -1 0 368.390 -0.948 20 0 FBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000824839249 604108398 /nfs/dbraw/zinc/10/83/98/604108398.db2.gz ACEKXGSMOZYXLC-NSHDSACASA-N -1 0 368.390 -0.948 20 0 FBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000824839570 604101730 /nfs/dbraw/zinc/10/17/30/604101730.db2.gz DXOSEUWQCIWYOX-GFCCVEGCSA-N -1 0 354.407 -0.475 20 0 FBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000824839571 604101645 /nfs/dbraw/zinc/10/16/45/604101645.db2.gz DXOSEUWQCIWYOX-LBPRGKRZSA-N -1 0 354.407 -0.475 20 0 FBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 ZINC000824841659 604165774 /nfs/dbraw/zinc/16/57/74/604165774.db2.gz SGWJGTKLZTZWKQ-JTQLQIEISA-N -1 0 370.435 -0.133 20 0 FBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 ZINC000824841662 604165565 /nfs/dbraw/zinc/16/55/65/604165565.db2.gz SGWJGTKLZTZWKQ-SNVBAGLBSA-N -1 0 370.435 -0.133 20 0 FBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000824842102 604074726 /nfs/dbraw/zinc/07/47/26/604074726.db2.gz VYSZIVDQQWBWRG-CYBMUJFWSA-N -1 0 356.423 -0.765 20 0 FBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000824842106 604074702 /nfs/dbraw/zinc/07/47/02/604074702.db2.gz VYSZIVDQQWBWRG-ZDUSSCGKSA-N -1 0 356.423 -0.765 20 0 FBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000824842141 604066462 /nfs/dbraw/zinc/06/64/62/604066462.db2.gz WECPDKYKADRDLD-CYBMUJFWSA-N -1 0 356.423 -0.765 20 0 FBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000824842143 604066349 /nfs/dbraw/zinc/06/63/49/604066349.db2.gz WECPDKYKADRDLD-ZDUSSCGKSA-N -1 0 356.423 -0.765 20 0 FBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000824842409 604195634 /nfs/dbraw/zinc/19/56/34/604195634.db2.gz XWLUWQSSVQFJET-LLVKDONJSA-N -1 0 374.419 -0.106 20 0 FBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000824842411 604195742 /nfs/dbraw/zinc/19/57/42/604195742.db2.gz XWLUWQSSVQFJET-NSHDSACASA-N -1 0 374.419 -0.106 20 0 FBADRM O=C(NCCS(=O)(=O)N1CCOCC1)c1ccc2oc(=O)nc-2[n-]1 ZINC000824843034 661101419 /nfs/dbraw/zinc/10/14/19/661101419.db2.gz DOZBJUMZHBVANB-UHFFFAOYSA-N -1 0 356.360 -0.680 20 0 FBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000824848139 604177327 /nfs/dbraw/zinc/17/73/27/604177327.db2.gz LWBIBTONERVJPD-CHWSQXEVSA-N -1 0 356.423 -0.718 20 0 FBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000824848142 604177150 /nfs/dbraw/zinc/17/71/50/604177150.db2.gz LWBIBTONERVJPD-OLZOCXBDSA-N -1 0 356.423 -0.718 20 0 FBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000824848144 604177463 /nfs/dbraw/zinc/17/74/63/604177463.db2.gz LWBIBTONERVJPD-QWHCGFSZSA-N -1 0 356.423 -0.718 20 0 FBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000824848146 604177375 /nfs/dbraw/zinc/17/73/75/604177375.db2.gz LWBIBTONERVJPD-STQMWFEESA-N -1 0 356.423 -0.718 20 0 FBADRM C[C@H](CN(C)C(=O)[O-])C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000824855060 604104104 /nfs/dbraw/zinc/10/41/04/604104104.db2.gz NIPXSEIOTOUVEM-CYBMUJFWSA-N -1 0 350.423 -0.039 20 0 FBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000824855066 604104119 /nfs/dbraw/zinc/10/41/19/604104119.db2.gz NIPXSEIOTOUVEM-ZDUSSCGKSA-N -1 0 350.423 -0.039 20 0 FBADRM C[C@H](CN(C)C(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000824861182 604165788 /nfs/dbraw/zinc/16/57/88/604165788.db2.gz BKACXRXQCPKUNP-NEPJUHHUSA-N -1 0 365.452 -0.163 20 0 FBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000824861191 604165528 /nfs/dbraw/zinc/16/55/28/604165528.db2.gz BKACXRXQCPKUNP-NWDGAFQWSA-N -1 0 365.452 -0.163 20 0 FBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000824861192 604165876 /nfs/dbraw/zinc/16/58/76/604165876.db2.gz BKACXRXQCPKUNP-RYUDHWBXSA-N -1 0 365.452 -0.163 20 0 FBADRM C[C@H](CN(C)C(=O)[O-])C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000824861193 604165681 /nfs/dbraw/zinc/16/56/81/604165681.db2.gz BKACXRXQCPKUNP-VXGBXAGGSA-N -1 0 365.452 -0.163 20 0 FBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000824862520 604157745 /nfs/dbraw/zinc/15/77/45/604157745.db2.gz MTGZUKXZVKCNKM-JTQLQIEISA-N -1 0 353.466 -0.273 20 0 FBADRM C[C@H](CN(C)C(=O)[O-])C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000824862521 604157810 /nfs/dbraw/zinc/15/78/10/604157810.db2.gz MTGZUKXZVKCNKM-SNVBAGLBSA-N -1 0 353.466 -0.273 20 0 FBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000824863014 604102670 /nfs/dbraw/zinc/10/26/70/604102670.db2.gz QTUDJGWQMZGCBJ-JTQLQIEISA-N -1 0 350.375 -0.236 20 0 FBADRM C[C@H](CN(C)C(=O)[O-])C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000824863016 604102335 /nfs/dbraw/zinc/10/23/35/604102335.db2.gz QTUDJGWQMZGCBJ-SNVBAGLBSA-N -1 0 350.375 -0.236 20 0 FBADRM O=C(c1cnc(I)c([O-])c1)N1C[C@H](O)[C@@H](O)C1 ZINC000824870311 661101727 /nfs/dbraw/zinc/10/17/27/661101727.db2.gz QKONFJHPVGGZGZ-YUMQZZPRSA-N -1 0 350.112 -0.431 20 0 FBADRM C[C@H](CN(C)C(=O)[O-])C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000824879800 604177438 /nfs/dbraw/zinc/17/74/38/604177438.db2.gz BEQXWCROZYUBID-LLVKDONJSA-N -1 0 353.379 -0.074 20 0 FBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000824879801 604177268 /nfs/dbraw/zinc/17/72/68/604177268.db2.gz BEQXWCROZYUBID-NSHDSACASA-N -1 0 353.379 -0.074 20 0 FBADRM C[C@H](CN(C)C(=O)[O-])C(=O)O[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000824880602 661101613 /nfs/dbraw/zinc/10/16/13/661101613.db2.gz IZNBGBFQTGXWGB-GMTAPVOTSA-N -1 0 364.420 -0.191 20 0 FBADRM C[C@H](CN(C)C(=O)[O-])C(=O)O[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000824880603 661101761 /nfs/dbraw/zinc/10/17/61/661101761.db2.gz IZNBGBFQTGXWGB-MXWKQRLJSA-N -1 0 364.420 -0.191 20 0 FBADRM C[C@H](CN(C)C(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000824880604 661101733 /nfs/dbraw/zinc/10/17/33/661101733.db2.gz IZNBGBFQTGXWGB-OUAUKWLOSA-N -1 0 364.420 -0.191 20 0 FBADRM C[C@H](CN(C)C(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000824880605 661101688 /nfs/dbraw/zinc/10/16/88/661101688.db2.gz IZNBGBFQTGXWGB-VWYCJHECSA-N -1 0 364.420 -0.191 20 0 FBADRM C[C@H](CN(C)C(=O)[O-])C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000824880880 604190353 /nfs/dbraw/zinc/19/03/53/604190353.db2.gz OZEIIMHEUOSYSZ-LLVKDONJSA-N -1 0 353.379 -0.074 20 0 FBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000824880881 604190475 /nfs/dbraw/zinc/19/04/75/604190475.db2.gz OZEIIMHEUOSYSZ-NSHDSACASA-N -1 0 353.379 -0.074 20 0 FBADRM C[C@H](CN(C)C(=O)[O-])C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000824889835 604239413 /nfs/dbraw/zinc/23/94/13/604239413.db2.gz RGUPJTICZQMFMR-LLVKDONJSA-N -1 0 355.391 -0.144 20 0 FBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000824889841 604239229 /nfs/dbraw/zinc/23/92/29/604239229.db2.gz RGUPJTICZQMFMR-NSHDSACASA-N -1 0 355.391 -0.144 20 0 FBADRM C[C@H](CN(C)C(=O)[O-])C(=O)OCC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000824890003 604240721 /nfs/dbraw/zinc/24/07/21/604240721.db2.gz SRCPCNCPQMSXPB-GFCCVEGCSA-N -1 0 372.422 -0.992 20 0 FBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)OCC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000824890005 604240575 /nfs/dbraw/zinc/24/05/75/604240575.db2.gz SRCPCNCPQMSXPB-LBPRGKRZSA-N -1 0 372.422 -0.992 20 0 FBADRM C[C@H](CN(C)C(=O)[O-])C(=O)OCCN(C)S(=O)(=O)N1CCOCC1 ZINC000824890175 604256502 /nfs/dbraw/zinc/25/65/02/604256502.db2.gz UTZRWQJYLOHIFQ-LLVKDONJSA-N -1 0 367.424 -0.716 20 0 FBADRM C[C@@H](CN(C)C(=O)[O-])C(=O)OCCN(C)S(=O)(=O)N1CCOCC1 ZINC000824890180 604257012 /nfs/dbraw/zinc/25/70/12/604257012.db2.gz UTZRWQJYLOHIFQ-NSHDSACASA-N -1 0 367.424 -0.716 20 0 FBADRM C[C@H]1CCCC[C@H]1N(C)C(=O)Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC000824937198 608095726 /nfs/dbraw/zinc/09/57/26/608095726.db2.gz OGCABEGNTXUQKI-CMPLNLGQSA-N -1 0 361.406 -0.236 20 0 FBADRM C[C@H]1CCCC[C@@H]1N(C)C(=O)Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC000824937200 608095662 /nfs/dbraw/zinc/09/56/62/608095662.db2.gz OGCABEGNTXUQKI-JQWIXIFHSA-N -1 0 361.406 -0.236 20 0 FBADRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC000824937202 608095612 /nfs/dbraw/zinc/09/56/12/608095612.db2.gz OGCABEGNTXUQKI-PWSUYJOCSA-N -1 0 361.406 -0.236 20 0 FBADRM C[C@@H]1CCCC[C@H]1N(C)C(=O)Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC000824937205 608095683 /nfs/dbraw/zinc/09/56/83/608095683.db2.gz OGCABEGNTXUQKI-ZYHUDNBSSA-N -1 0 361.406 -0.236 20 0 FBADRM C[C@@H](CNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)CC1(C)OCCO1 ZINC000824940384 604123261 /nfs/dbraw/zinc/12/32/61/604123261.db2.gz XNRKFYWVNWFRGF-GFCCVEGCSA-N -1 0 372.422 -0.103 20 0 FBADRM C[C@H](CNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)CC1(C)OCCO1 ZINC000824940385 604123293 /nfs/dbraw/zinc/12/32/93/604123293.db2.gz XNRKFYWVNWFRGF-LBPRGKRZSA-N -1 0 372.422 -0.103 20 0 FBADRM C[C@@](CNC(=O)[O-])(NC(=O)CN1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC000824946740 604322950 /nfs/dbraw/zinc/32/29/50/604322950.db2.gz SHLFONAOITWGNL-AWEZNQCLSA-N -1 0 362.452 -0.884 20 0 FBADRM C[C@](CNC(=O)[O-])(NC(=O)CN1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC000824946741 604322735 /nfs/dbraw/zinc/32/27/35/604322735.db2.gz SHLFONAOITWGNL-CQSZACIVSA-N -1 0 362.452 -0.884 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000824951910 603546745 /nfs/dbraw/zinc/54/67/45/603546745.db2.gz DPGCKFJEDACLJB-MRVPVSSYSA-N -1 0 358.376 -0.613 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000824951911 603546583 /nfs/dbraw/zinc/54/65/83/603546583.db2.gz DPGCKFJEDACLJB-QMMMGPOBSA-N -1 0 358.376 -0.613 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000824952014 604145257 /nfs/dbraw/zinc/14/52/57/604145257.db2.gz HCIFAULUBOSUJY-SECBINFHSA-N -1 0 354.367 -0.976 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000824952015 604145175 /nfs/dbraw/zinc/14/51/75/604145175.db2.gz HCIFAULUBOSUJY-VIFPVBQESA-N -1 0 354.367 -0.976 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000824958741 605495622 /nfs/dbraw/zinc/49/56/22/605495622.db2.gz FTNWXRXVMJARGR-SECBINFHSA-N -1 0 366.378 -0.785 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000824958742 605495919 /nfs/dbraw/zinc/49/59/19/605495919.db2.gz FTNWXRXVMJARGR-VIFPVBQESA-N -1 0 366.378 -0.785 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000824959100 604180588 /nfs/dbraw/zinc/18/05/88/604180588.db2.gz ITPVRMQOBPPOBJ-SECBINFHSA-N -1 0 363.396 -0.609 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000824959109 604180528 /nfs/dbraw/zinc/18/05/28/604180528.db2.gz ITPVRMQOBPPOBJ-VIFPVBQESA-N -1 0 363.396 -0.609 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000824960303 604145035 /nfs/dbraw/zinc/14/50/35/604145035.db2.gz RGYKOKVLGBFLCV-SECBINFHSA-N -1 0 351.363 -0.164 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000824960304 604144855 /nfs/dbraw/zinc/14/48/55/604144855.db2.gz RGYKOKVLGBFLCV-VIFPVBQESA-N -1 0 351.363 -0.164 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000824960761 603775369 /nfs/dbraw/zinc/77/53/69/603775369.db2.gz VGBOBTFMRQPZQY-SECBINFHSA-N -1 0 354.367 -0.976 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000824960762 603775275 /nfs/dbraw/zinc/77/52/75/603775275.db2.gz VGBOBTFMRQPZQY-VIFPVBQESA-N -1 0 354.367 -0.976 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000824967322 603562374 /nfs/dbraw/zinc/56/23/74/603562374.db2.gz QFHMAEXWTBNZNO-LLVKDONJSA-N -1 0 368.394 -0.138 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000824967323 603562263 /nfs/dbraw/zinc/56/22/63/603562263.db2.gz QFHMAEXWTBNZNO-NSHDSACASA-N -1 0 368.394 -0.138 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCN1CC(F)(F)F ZINC000824967635 608103120 /nfs/dbraw/zinc/10/31/20/608103120.db2.gz LTTJUJMSCQWLIS-MRVPVSSYSA-N -1 0 359.316 -0.447 20 0 FBADRM C[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCN1CC(F)(F)F ZINC000824967636 608103268 /nfs/dbraw/zinc/10/32/68/608103268.db2.gz LTTJUJMSCQWLIS-QMMMGPOBSA-N -1 0 359.316 -0.447 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000824967908 602909635 /nfs/dbraw/zinc/90/96/35/602909635.db2.gz XDZVSOCFKHRQFB-SECBINFHSA-N -1 0 357.388 -0.326 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000824967909 602909349 /nfs/dbraw/zinc/90/93/49/602909349.db2.gz XDZVSOCFKHRQFB-VIFPVBQESA-N -1 0 357.388 -0.326 20 0 FBADRM C[C@H](CNC(=O)c1cccnc1)OC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000824974291 604751055 /nfs/dbraw/zinc/75/10/55/604751055.db2.gz VQGQULQGQVNIQU-LLVKDONJSA-N -1 0 364.358 -0.435 20 0 FBADRM C[C@@H](CNC(=O)c1cccnc1)OC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000824974292 604751121 /nfs/dbraw/zinc/75/11/21/604751121.db2.gz VQGQULQGQVNIQU-NSHDSACASA-N -1 0 364.358 -0.435 20 0 FBADRM C[C@H](COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)NC(=O)[O-] ZINC000824980096 604204506 /nfs/dbraw/zinc/20/45/06/604204506.db2.gz KVRVAWKYXKWWCX-BDAKNGLRSA-N -1 0 361.376 -0.649 20 0 FBADRM C[C@@H](COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)NC(=O)[O-] ZINC000824980097 604204562 /nfs/dbraw/zinc/20/45/62/604204562.db2.gz KVRVAWKYXKWWCX-DTWKUNHWSA-N -1 0 361.376 -0.649 20 0 FBADRM C[C@@H](COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)NC(=O)[O-] ZINC000824980098 604204671 /nfs/dbraw/zinc/20/46/71/604204671.db2.gz KVRVAWKYXKWWCX-IUCAKERBSA-N -1 0 361.376 -0.649 20 0 FBADRM C[C@H](COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)NC(=O)[O-] ZINC000824980099 604204731 /nfs/dbraw/zinc/20/47/31/604204731.db2.gz KVRVAWKYXKWWCX-RKDXNWHRSA-N -1 0 361.376 -0.649 20 0 FBADRM C[C@H](COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)NC(=O)[O-] ZINC000824980878 605405640 /nfs/dbraw/zinc/40/56/40/605405640.db2.gz SBMXKGLHZZTSPN-BDAKNGLRSA-N -1 0 373.387 -0.348 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OC[C@H](C)NC(=O)[O-] ZINC000824980879 605405850 /nfs/dbraw/zinc/40/58/50/605405850.db2.gz SBMXKGLHZZTSPN-DTWKUNHWSA-N -1 0 373.387 -0.348 20 0 FBADRM C[C@@H](COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)NC(=O)[O-] ZINC000824980880 605405422 /nfs/dbraw/zinc/40/54/22/605405422.db2.gz SBMXKGLHZZTSPN-IUCAKERBSA-N -1 0 373.387 -0.348 20 0 FBADRM C[C@H](COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)NC(=O)[O-] ZINC000824980881 605405861 /nfs/dbraw/zinc/40/58/61/605405861.db2.gz SBMXKGLHZZTSPN-RKDXNWHRSA-N -1 0 373.387 -0.348 20 0 FBADRM C[C@H](COC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)NC(=O)[O-] ZINC000824988899 604203116 /nfs/dbraw/zinc/20/31/16/604203116.db2.gz VHEMSTOKVJADEH-MRVPVSSYSA-N -1 0 353.335 -0.977 20 0 FBADRM C[C@@H](COC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)NC(=O)[O-] ZINC000824988901 604202979 /nfs/dbraw/zinc/20/29/79/604202979.db2.gz VHEMSTOKVJADEH-QMMMGPOBSA-N -1 0 353.335 -0.977 20 0 FBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000825000650 603969021 /nfs/dbraw/zinc/96/90/21/603969021.db2.gz AJCCUJJJDIUSGD-NEPJUHHUSA-N -1 0 358.395 -0.698 20 0 FBADRM C[C@@H](CO[C@@H]1CCOC1)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000825000651 603968572 /nfs/dbraw/zinc/96/85/72/603968572.db2.gz AJCCUJJJDIUSGD-NWDGAFQWSA-N -1 0 358.395 -0.698 20 0 FBADRM C[C@@H](CO[C@H]1CCOC1)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000825000652 603968902 /nfs/dbraw/zinc/96/89/02/603968902.db2.gz AJCCUJJJDIUSGD-RYUDHWBXSA-N -1 0 358.395 -0.698 20 0 FBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000825000653 603968524 /nfs/dbraw/zinc/96/85/24/603968524.db2.gz AJCCUJJJDIUSGD-VXGBXAGGSA-N -1 0 358.395 -0.698 20 0 FBADRM C[C@H](CS(C)(=O)=O)C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000825008720 604131668 /nfs/dbraw/zinc/13/16/68/604131668.db2.gz LVQOEMJIZTYWQT-GHMZBOCLSA-N -1 0 363.436 -0.711 20 0 FBADRM C[C@H](CS(C)(=O)=O)C(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000825008722 604131652 /nfs/dbraw/zinc/13/16/52/604131652.db2.gz LVQOEMJIZTYWQT-MNOVXSKESA-N -1 0 363.436 -0.711 20 0 FBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000825008724 604131586 /nfs/dbraw/zinc/13/15/86/604131586.db2.gz LVQOEMJIZTYWQT-QWRGUYRKSA-N -1 0 363.436 -0.711 20 0 FBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000825008726 604131434 /nfs/dbraw/zinc/13/14/34/604131434.db2.gz LVQOEMJIZTYWQT-WDEREUQCSA-N -1 0 363.436 -0.711 20 0 FBADRM C[C@H](CS(C)(=O)=O)C(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000825015191 604204141 /nfs/dbraw/zinc/20/41/41/604204141.db2.gz DBVOUCSKIKOGHJ-MRVPVSSYSA-N -1 0 360.396 -0.776 20 0 FBADRM C[C@@H](CS(C)(=O)=O)C(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000825015192 604203965 /nfs/dbraw/zinc/20/39/65/604203965.db2.gz DBVOUCSKIKOGHJ-QMMMGPOBSA-N -1 0 360.396 -0.776 20 0 FBADRM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000825015535 603718487 /nfs/dbraw/zinc/71/84/87/603718487.db2.gz GPUQDKGYXAGNRM-SECBINFHSA-N -1 0 357.388 -0.058 20 0 FBADRM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000825015536 603718466 /nfs/dbraw/zinc/71/84/66/603718466.db2.gz GPUQDKGYXAGNRM-VIFPVBQESA-N -1 0 357.388 -0.058 20 0 FBADRM C[C@H](Cc1noc(CNS(=O)(=O)c2cnn(C)c2)n1)N(C)C(=O)[O-] ZINC000825048382 605318245 /nfs/dbraw/zinc/31/82/45/605318245.db2.gz QUPXZZBHTFVKSA-MRVPVSSYSA-N -1 0 358.380 -0.178 20 0 FBADRM C[C@@H](Cc1noc(CNS(=O)(=O)c2cnn(C)c2)n1)N(C)C(=O)[O-] ZINC000825048383 605318324 /nfs/dbraw/zinc/31/83/24/605318324.db2.gz QUPXZZBHTFVKSA-QMMMGPOBSA-N -1 0 358.380 -0.178 20 0 FBADRM C[C@H](N1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1)C(F)(F)F ZINC000825054046 603459719 /nfs/dbraw/zinc/45/97/19/603459719.db2.gz ANWLTYMPWILOCL-JTQLQIEISA-N -1 0 366.340 -0.096 20 0 FBADRM C[C@@H](N1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1)C(F)(F)F ZINC000825054047 603459555 /nfs/dbraw/zinc/45/95/55/603459555.db2.gz ANWLTYMPWILOCL-SNVBAGLBSA-N -1 0 366.340 -0.096 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1)[C@H]1CN(C)CCO1 ZINC000825066184 605218140 /nfs/dbraw/zinc/21/81/40/605218140.db2.gz NJYQCCWGBTUGCQ-GXSJLCMTSA-N -1 0 351.363 -0.055 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1)[C@@H]1CN(C)CCO1 ZINC000825066185 605218527 /nfs/dbraw/zinc/21/85/27/605218527.db2.gz NJYQCCWGBTUGCQ-KOLCDFICSA-N -1 0 351.363 -0.055 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1)[C@H]1CN(C)CCO1 ZINC000825066186 605218021 /nfs/dbraw/zinc/21/80/21/605218021.db2.gz NJYQCCWGBTUGCQ-MWLCHTKSSA-N -1 0 351.363 -0.055 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1)[C@@H]1CN(C)CCO1 ZINC000825066187 605218442 /nfs/dbraw/zinc/21/84/42/605218442.db2.gz NJYQCCWGBTUGCQ-ONGXEEELSA-N -1 0 351.363 -0.055 20 0 FBADRM C[C@H](NC(=O)[C@@]1(C)CCN(C(=O)[O-])C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000825074489 603923514 /nfs/dbraw/zinc/92/35/14/603923514.db2.gz ICCPVGXIGYTNOK-HZMBPMFUSA-N -1 0 361.420 -0.862 20 0 FBADRM C[C@H](NC(=O)[C@]1(C)CCN(C(=O)[O-])C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000825074493 603923455 /nfs/dbraw/zinc/92/34/55/603923455.db2.gz ICCPVGXIGYTNOK-IINYFYTJSA-N -1 0 361.420 -0.862 20 0 FBADRM C[C@@H](NC(=O)[C@]1(C)CCN(C(=O)[O-])C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000825074495 603923294 /nfs/dbraw/zinc/92/32/94/603923294.db2.gz ICCPVGXIGYTNOK-QMTHXVAHSA-N -1 0 361.420 -0.862 20 0 FBADRM C[C@@H](NC(=O)[C@@]1(C)CCN(C(=O)[O-])C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000825074497 603923349 /nfs/dbraw/zinc/92/33/49/603923349.db2.gz ICCPVGXIGYTNOK-YGRLFVJLSA-N -1 0 361.420 -0.862 20 0 FBADRM C[C@H](NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000825082019 603564184 /nfs/dbraw/zinc/56/41/84/603564184.db2.gz JEPGYVSZANUYGX-AXFHLTTASA-N -1 0 361.420 -0.816 20 0 FBADRM C[C@H](NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000825082020 603564047 /nfs/dbraw/zinc/56/40/47/603564047.db2.gz JEPGYVSZANUYGX-DCAQKATOSA-N -1 0 361.420 -0.816 20 0 FBADRM C[C@H](NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000825082021 603563942 /nfs/dbraw/zinc/56/39/42/603563942.db2.gz JEPGYVSZANUYGX-GARJFASQSA-N -1 0 361.420 -0.816 20 0 FBADRM C[C@H](NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000825082022 603563936 /nfs/dbraw/zinc/56/39/36/603563936.db2.gz JEPGYVSZANUYGX-HBNTYKKESA-N -1 0 361.420 -0.816 20 0 FBADRM C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000825084412 603634324 /nfs/dbraw/zinc/63/43/24/603634324.db2.gz UMWWDDDKHIBEOY-MKPLZMMCSA-N -1 0 357.388 -0.376 20 0 FBADRM C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000825084415 603634088 /nfs/dbraw/zinc/63/40/88/603634088.db2.gz UMWWDDDKHIBEOY-PEXQALLHSA-N -1 0 357.388 -0.376 20 0 FBADRM C[C@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000825084417 603634054 /nfs/dbraw/zinc/63/40/54/603634054.db2.gz UMWWDDDKHIBEOY-PTOFAABTSA-N -1 0 357.388 -0.376 20 0 FBADRM C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000825084419 603634152 /nfs/dbraw/zinc/63/41/52/603634152.db2.gz UMWWDDDKHIBEOY-XRNSZHNASA-N -1 0 357.388 -0.376 20 0 FBADRM CCC(CC)(CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C(=O)OC ZINC000825089631 607733373 /nfs/dbraw/zinc/73/33/73/607733373.db2.gz JQQJQIUGWFHMAC-UHFFFAOYSA-N -1 0 365.394 -0.345 20 0 FBADRM C[C@@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)c1cccc(S(N)(=O)=O)c1 ZINC000825093810 604815891 /nfs/dbraw/zinc/81/58/91/604815891.db2.gz PRSCQPVTFRYPGF-BXKDBHETSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)c1cccc(S(N)(=O)=O)c1 ZINC000825093811 604815705 /nfs/dbraw/zinc/81/57/05/604815705.db2.gz PRSCQPVTFRYPGF-CABZTGNLSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)c1cccc(S(N)(=O)=O)c1 ZINC000825093812 604815471 /nfs/dbraw/zinc/81/54/71/604815471.db2.gz PRSCQPVTFRYPGF-JOYOIKCWSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)c1cccc(S(N)(=O)=O)c1 ZINC000825093813 604815756 /nfs/dbraw/zinc/81/57/56/604815756.db2.gz PRSCQPVTFRYPGF-SKDRFNHKSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)c1ccc(S(N)(=O)=O)cc1 ZINC000825094863 604649649 /nfs/dbraw/zinc/64/96/49/604649649.db2.gz UEOHZSBTVQNKPN-BXKDBHETSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)c1ccc(S(N)(=O)=O)cc1 ZINC000825094865 604649771 /nfs/dbraw/zinc/64/97/71/604649771.db2.gz UEOHZSBTVQNKPN-CABZTGNLSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)c1ccc(S(N)(=O)=O)cc1 ZINC000825094867 604649605 /nfs/dbraw/zinc/64/96/05/604649605.db2.gz UEOHZSBTVQNKPN-JOYOIKCWSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)c1ccc(S(N)(=O)=O)cc1 ZINC000825094869 604649718 /nfs/dbraw/zinc/64/97/18/604649718.db2.gz UEOHZSBTVQNKPN-SKDRFNHKSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000825100288 602838755 /nfs/dbraw/zinc/83/87/55/602838755.db2.gz AUPGFFOREXBNGJ-GHMZBOCLSA-N -1 0 361.420 -0.719 20 0 FBADRM C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000825100289 602838827 /nfs/dbraw/zinc/83/88/27/602838827.db2.gz AUPGFFOREXBNGJ-MNOVXSKESA-N -1 0 361.420 -0.719 20 0 FBADRM C[C@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000825100290 602838921 /nfs/dbraw/zinc/83/89/21/602838921.db2.gz AUPGFFOREXBNGJ-QWRGUYRKSA-N -1 0 361.420 -0.719 20 0 FBADRM C[C@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000825100291 602838866 /nfs/dbraw/zinc/83/88/66/602838866.db2.gz AUPGFFOREXBNGJ-WDEREUQCSA-N -1 0 361.420 -0.719 20 0 FBADRM C[C@H](NC(=O)CC1(NC(=O)[O-])CCC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000825102660 604147899 /nfs/dbraw/zinc/14/78/99/604147899.db2.gz VVBMXILUEGZBJD-JTQLQIEISA-N -1 0 361.420 -0.672 20 0 FBADRM C[C@@H](NC(=O)CC1(NC(=O)[O-])CCC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000825102665 604147869 /nfs/dbraw/zinc/14/78/69/604147869.db2.gz VVBMXILUEGZBJD-SNVBAGLBSA-N -1 0 361.420 -0.672 20 0 FBADRM C[C@H](NC(=O)CN(CC1CC1)C(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000825114461 602839020 /nfs/dbraw/zinc/83/90/20/602839020.db2.gz FIKOZBZRHUJSNK-JTQLQIEISA-N -1 0 361.420 -0.862 20 0 FBADRM C[C@@H](NC(=O)CN(CC1CC1)C(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000825114463 602838847 /nfs/dbraw/zinc/83/88/47/602838847.db2.gz FIKOZBZRHUJSNK-SNVBAGLBSA-N -1 0 361.420 -0.862 20 0 FBADRM C[C@@H](NC(=O)COC(=O)COC1CN(C(=O)[O-])C1)C(=O)N1CCCCC1 ZINC000825119598 603447575 /nfs/dbraw/zinc/44/75/75/603447575.db2.gz AACWYIHQARIOGR-LLVKDONJSA-N -1 0 371.390 -0.574 20 0 FBADRM C[C@H](NC(=O)COC(=O)COC1CN(C(=O)[O-])C1)C(=O)N1CCCCC1 ZINC000825119599 603447680 /nfs/dbraw/zinc/44/76/80/603447680.db2.gz AACWYIHQARIOGR-NSHDSACASA-N -1 0 371.390 -0.574 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(CC(=O)N[C@@H](C)C(=O)N2CCCCC2)CCO1 ZINC000825119720 604602159 /nfs/dbraw/zinc/60/21/59/604602159.db2.gz BDGXIBFTKQEQSM-HZSPNIEDSA-N -1 0 370.450 -0.140 20 0 FBADRM C[C@H](NC(=O)CN1CCO[C@H]([C@H](C)NC(=O)[O-])C1)C(=O)N1CCCCC1 ZINC000825119726 604602198 /nfs/dbraw/zinc/60/21/98/604602198.db2.gz BDGXIBFTKQEQSM-IHRRRGAJSA-N -1 0 370.450 -0.140 20 0 FBADRM C[C@H](NC(=O)CN1CCO[C@@H]([C@H](C)NC(=O)[O-])C1)C(=O)N1CCCCC1 ZINC000825119728 604602183 /nfs/dbraw/zinc/60/21/83/604602183.db2.gz BDGXIBFTKQEQSM-MELADBBJSA-N -1 0 370.450 -0.140 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CC(=O)N[C@@H](C)C(=O)N2CCCCC2)CCO1 ZINC000825119731 604602037 /nfs/dbraw/zinc/60/20/37/604602037.db2.gz BDGXIBFTKQEQSM-RDBSUJKOSA-N -1 0 370.450 -0.140 20 0 FBADRM C[C@@H](NC(=O)COC(=O)[C@@H]1COCCN1C(=O)[O-])C(=O)N1CCCCC1 ZINC000825119823 603904881 /nfs/dbraw/zinc/90/48/81/603904881.db2.gz BPUNMQUJFCCRSH-NEPJUHHUSA-N -1 0 371.390 -0.574 20 0 FBADRM C[C@H](NC(=O)COC(=O)[C@H]1COCCN1C(=O)[O-])C(=O)N1CCCCC1 ZINC000825119825 603904538 /nfs/dbraw/zinc/90/45/38/603904538.db2.gz BPUNMQUJFCCRSH-NWDGAFQWSA-N -1 0 371.390 -0.574 20 0 FBADRM C[C@H](NC(=O)COC(=O)[C@@H]1COCCN1C(=O)[O-])C(=O)N1CCCCC1 ZINC000825119827 603904937 /nfs/dbraw/zinc/90/49/37/603904937.db2.gz BPUNMQUJFCCRSH-RYUDHWBXSA-N -1 0 371.390 -0.574 20 0 FBADRM C[C@@H](NC(=O)COC(=O)[C@H]1COCCN1C(=O)[O-])C(=O)N1CCCCC1 ZINC000825119829 603905617 /nfs/dbraw/zinc/90/56/17/603905617.db2.gz BPUNMQUJFCCRSH-VXGBXAGGSA-N -1 0 371.390 -0.574 20 0 FBADRM C[C@@H](NC(=O)CNS(=O)(=O)c1cn(C)cn1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825121647 603529311 /nfs/dbraw/zinc/52/93/11/603529311.db2.gz NQHIVSIOZFKXIT-GHMZBOCLSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@@H](NC(=O)CNS(=O)(=O)c1cn(C)cn1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825121648 603529549 /nfs/dbraw/zinc/52/95/49/603529549.db2.gz NQHIVSIOZFKXIT-MNOVXSKESA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H](NC(=O)CNS(=O)(=O)c1cn(C)cn1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825121649 603529368 /nfs/dbraw/zinc/52/93/68/603529368.db2.gz NQHIVSIOZFKXIT-QWRGUYRKSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H](NC(=O)CNS(=O)(=O)c1cn(C)cn1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825121650 603529466 /nfs/dbraw/zinc/52/94/66/603529466.db2.gz NQHIVSIOZFKXIT-WDEREUQCSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@@H](NC(=O)COC(=O)C[C@@H]1CSCCN1C(=O)[O-])C(=O)N(C)C ZINC000825122530 605817188 /nfs/dbraw/zinc/81/71/88/605817188.db2.gz UKJDMRNHEIVROP-NXEZZACHSA-N -1 0 361.420 -0.392 20 0 FBADRM C[C@H](NC(=O)COC(=O)C[C@H]1CSCCN1C(=O)[O-])C(=O)N(C)C ZINC000825122531 605816789 /nfs/dbraw/zinc/81/67/89/605816789.db2.gz UKJDMRNHEIVROP-UWVGGRQHSA-N -1 0 361.420 -0.392 20 0 FBADRM C[C@H](NC(=O)COC(=O)C[C@@H]1CSCCN1C(=O)[O-])C(=O)N(C)C ZINC000825122532 605816923 /nfs/dbraw/zinc/81/69/23/605816923.db2.gz UKJDMRNHEIVROP-VHSXEESVSA-N -1 0 361.420 -0.392 20 0 FBADRM C[C@@H](NC(=O)COC(=O)C[C@H]1CSCCN1C(=O)[O-])C(=O)N(C)C ZINC000825122533 605816833 /nfs/dbraw/zinc/81/68/33/605816833.db2.gz UKJDMRNHEIVROP-ZJUUUORDSA-N -1 0 361.420 -0.392 20 0 FBADRM C[C@@H](NC(=O)COC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)C(=O)N(C)C ZINC000825122566 605339496 /nfs/dbraw/zinc/33/94/96/605339496.db2.gz UWPHXCSACFWXCO-GHMZBOCLSA-N -1 0 359.379 -0.719 20 0 FBADRM C[C@@H](NC(=O)COC(=O)CO[C@H]1CCCN(C(=O)[O-])C1)C(=O)N(C)C ZINC000825122567 605339309 /nfs/dbraw/zinc/33/93/09/605339309.db2.gz UWPHXCSACFWXCO-MNOVXSKESA-N -1 0 359.379 -0.719 20 0 FBADRM C[C@H](NC(=O)COC(=O)CO[C@H]1CCCN(C(=O)[O-])C1)C(=O)N(C)C ZINC000825122568 605339746 /nfs/dbraw/zinc/33/97/46/605339746.db2.gz UWPHXCSACFWXCO-QWRGUYRKSA-N -1 0 359.379 -0.719 20 0 FBADRM C[C@H](NC(=O)COC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)C(=O)N(C)C ZINC000825122569 605339064 /nfs/dbraw/zinc/33/90/64/605339064.db2.gz UWPHXCSACFWXCO-WDEREUQCSA-N -1 0 359.379 -0.719 20 0 FBADRM C[C@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)c1nnc2n1CCCC2 ZINC000825122768 605140756 /nfs/dbraw/zinc/14/07/56/605140756.db2.gz XCJQILJVZKAYQX-JTQLQIEISA-N -1 0 350.379 -0.386 20 0 FBADRM C[C@@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)c1nnc2n1CCCC2 ZINC000825122771 605140971 /nfs/dbraw/zinc/14/09/71/605140971.db2.gz XCJQILJVZKAYQX-SNVBAGLBSA-N -1 0 350.379 -0.386 20 0 FBADRM C[C@@H](NC(=O)COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCCCC1 ZINC000825122951 605216730 /nfs/dbraw/zinc/21/67/30/605216730.db2.gz ZBAOYKBUEPNCRG-NEPJUHHUSA-N -1 0 371.390 -0.574 20 0 FBADRM C[C@H](NC(=O)COC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCCCC1 ZINC000825122952 605216371 /nfs/dbraw/zinc/21/63/71/605216371.db2.gz ZBAOYKBUEPNCRG-NWDGAFQWSA-N -1 0 371.390 -0.574 20 0 FBADRM C[C@H](NC(=O)COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCCCC1 ZINC000825122953 605216549 /nfs/dbraw/zinc/21/65/49/605216549.db2.gz ZBAOYKBUEPNCRG-RYUDHWBXSA-N -1 0 371.390 -0.574 20 0 FBADRM C[C@@H](NC(=O)COC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCCCC1 ZINC000825122954 605216734 /nfs/dbraw/zinc/21/67/34/605216734.db2.gz ZBAOYKBUEPNCRG-VXGBXAGGSA-N -1 0 371.390 -0.574 20 0 FBADRM C[C@@H](NC(=O)COC1CN(C(=O)[O-])C1)c1cccc(S(N)(=O)=O)c1 ZINC000825126519 603741788 /nfs/dbraw/zinc/74/17/88/603741788.db2.gz GFCNOOAXRFCFJL-SECBINFHSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@H](NC(=O)COC1CN(C(=O)[O-])C1)c1cccc(S(N)(=O)=O)c1 ZINC000825126523 603741814 /nfs/dbraw/zinc/74/18/14/603741814.db2.gz GFCNOOAXRFCFJL-VIFPVBQESA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@@H](NC(=O)COC1CN(C(=O)[O-])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000825128964 603966794 /nfs/dbraw/zinc/96/67/94/603966794.db2.gz ZOZNFMNDMQDYHA-SECBINFHSA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@H](NC(=O)COC1CN(C(=O)[O-])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000825128965 603967056 /nfs/dbraw/zinc/96/70/56/603967056.db2.gz ZOZNFMNDMQDYHA-VIFPVBQESA-N -1 0 357.388 -0.110 20 0 FBADRM C[C@H](NC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1)C1CC1 ZINC000825134735 603983897 /nfs/dbraw/zinc/98/38/97/603983897.db2.gz DNUXDNQVOVIJSV-JTQLQIEISA-N -1 0 360.436 -0.196 20 0 FBADRM C[C@@H](NC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1)C1CC1 ZINC000825134736 603984190 /nfs/dbraw/zinc/98/41/90/603984190.db2.gz DNUXDNQVOVIJSV-SNVBAGLBSA-N -1 0 360.436 -0.196 20 0 FBADRM C[C@H](NC(=O)N(C)CCN1CCN(C(=O)[O-])CC1)[C@@H]1CN(C)CCO1 ZINC000825136167 605232710 /nfs/dbraw/zinc/23/27/10/605232710.db2.gz RIJZDXOAQHWUNB-KBPBESRZSA-N -1 0 357.455 -0.358 20 0 FBADRM C[C@@H](NC(=O)N(C)CCN1CCN(C(=O)[O-])CC1)[C@@H]1CN(C)CCO1 ZINC000825136168 605232738 /nfs/dbraw/zinc/23/27/38/605232738.db2.gz RIJZDXOAQHWUNB-KGLIPLIRSA-N -1 0 357.455 -0.358 20 0 FBADRM C[C@H](NC(=O)N(C)CCN1CCN(C(=O)[O-])CC1)[C@H]1CN(C)CCO1 ZINC000825136169 605232677 /nfs/dbraw/zinc/23/26/77/605232677.db2.gz RIJZDXOAQHWUNB-UONOGXRCSA-N -1 0 357.455 -0.358 20 0 FBADRM C[C@@H](NC(=O)N(C)CCN1CCN(C(=O)[O-])CC1)[C@H]1CN(C)CCO1 ZINC000825136170 605232688 /nfs/dbraw/zinc/23/26/88/605232688.db2.gz RIJZDXOAQHWUNB-ZIAGYGMSSA-N -1 0 357.455 -0.358 20 0 FBADRM CC[C@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)[C@@H](O)C(F)(F)F ZINC000825147300 608232152 /nfs/dbraw/zinc/23/21/52/608232152.db2.gz HQNSKDJFVDTZHL-CAHLUQPWSA-N -1 0 363.300 -0.622 20 0 FBADRM CC[C@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)[C@H](O)C(F)(F)F ZINC000825147301 608231884 /nfs/dbraw/zinc/23/18/84/608231884.db2.gz HQNSKDJFVDTZHL-FSPLSTOPSA-N -1 0 363.300 -0.622 20 0 FBADRM CC[C@@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)[C@@H](O)C(F)(F)F ZINC000825147302 608231902 /nfs/dbraw/zinc/23/19/02/608231902.db2.gz HQNSKDJFVDTZHL-IYSWYEEDSA-N -1 0 363.300 -0.622 20 0 FBADRM CC[C@@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)[C@H](O)C(F)(F)F ZINC000825147303 608231756 /nfs/dbraw/zinc/23/17/56/608231756.db2.gz HQNSKDJFVDTZHL-VDTYLAMSSA-N -1 0 363.300 -0.622 20 0 FBADRM C[C@H](NC(=O)NCCCN1CCN(C(=O)[O-])CC1)[C@@H]1CN(C)CCO1 ZINC000825166736 605190285 /nfs/dbraw/zinc/19/02/85/605190285.db2.gz UBOIKBDVQOGTPS-KBPBESRZSA-N -1 0 357.455 -0.310 20 0 FBADRM C[C@@H](NC(=O)NCCCN1CCN(C(=O)[O-])CC1)[C@@H]1CN(C)CCO1 ZINC000825166741 605190043 /nfs/dbraw/zinc/19/00/43/605190043.db2.gz UBOIKBDVQOGTPS-KGLIPLIRSA-N -1 0 357.455 -0.310 20 0 FBADRM C[C@H](NC(=O)NCCCN1CCN(C(=O)[O-])CC1)[C@H]1CN(C)CCO1 ZINC000825166742 605192142 /nfs/dbraw/zinc/19/21/42/605192142.db2.gz UBOIKBDVQOGTPS-UONOGXRCSA-N -1 0 357.455 -0.310 20 0 FBADRM C[C@@H](NC(=O)NCCCN1CCN(C(=O)[O-])CC1)[C@H]1CN(C)CCO1 ZINC000825166743 605192199 /nfs/dbraw/zinc/19/21/99/605192199.db2.gz UBOIKBDVQOGTPS-ZIAGYGMSSA-N -1 0 357.455 -0.310 20 0 FBADRM C[C@H](NC(=O)[O-])C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 ZINC000825171578 603462307 /nfs/dbraw/zinc/46/23/07/603462307.db2.gz LYADWNDZYJQFHA-ZDUSSCGKSA-N -1 0 370.450 -0.280 20 0 FBADRM C[C@@H](NC(=O)[O-])C(=O)OCC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000825186862 604649250 /nfs/dbraw/zinc/64/92/50/604649250.db2.gz VPYFWWROVFDTKT-SSDOTTSWSA-N -1 0 352.282 -0.061 20 0 FBADRM C[C@H](NC(=O)[O-])C(=O)OCC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000825186863 604961849 /nfs/dbraw/zinc/96/18/49/604961849.db2.gz VPYFWWROVFDTKT-ZETCQYMHSA-N -1 0 352.282 -0.061 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000825192973 603529691 /nfs/dbraw/zinc/52/96/91/603529691.db2.gz FVYHDJLRHXCOLP-GHMZBOCLSA-N -1 0 373.435 -0.264 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000825192974 603529729 /nfs/dbraw/zinc/52/97/29/603529729.db2.gz FVYHDJLRHXCOLP-MNOVXSKESA-N -1 0 373.435 -0.264 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000825192975 603529685 /nfs/dbraw/zinc/52/96/85/603529685.db2.gz FVYHDJLRHXCOLP-QWRGUYRKSA-N -1 0 373.435 -0.264 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000825192976 603529843 /nfs/dbraw/zinc/52/98/43/603529843.db2.gz FVYHDJLRHXCOLP-WDEREUQCSA-N -1 0 373.435 -0.264 20 0 FBADRM CC[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCN1CC(F)F ZINC000825201938 608249734 /nfs/dbraw/zinc/24/97/34/608249734.db2.gz IQVKWNLSHIVFPL-SECBINFHSA-N -1 0 355.353 -0.354 20 0 FBADRM CC[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCN1CC(F)F ZINC000825201939 608249600 /nfs/dbraw/zinc/24/96/00/608249600.db2.gz IQVKWNLSHIVFPL-VIFPVBQESA-N -1 0 355.353 -0.354 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C1 ZINC000825202715 604293253 /nfs/dbraw/zinc/29/32/53/604293253.db2.gz NHEKEFIUNNNNBT-NXEZZACHSA-N -1 0 366.378 -0.798 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C1 ZINC000825202720 604293209 /nfs/dbraw/zinc/29/32/09/604293209.db2.gz NHEKEFIUNNNNBT-UWVGGRQHSA-N -1 0 366.378 -0.798 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C1 ZINC000825202723 604293202 /nfs/dbraw/zinc/29/32/02/604293202.db2.gz NHEKEFIUNNNNBT-VHSXEESVSA-N -1 0 366.378 -0.798 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C1 ZINC000825202726 604293185 /nfs/dbraw/zinc/29/31/85/604293185.db2.gz NHEKEFIUNNNNBT-ZJUUUORDSA-N -1 0 366.378 -0.798 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)C2CCN(S(N)(=O)=O)CC2)C1 ZINC000825204886 604261358 /nfs/dbraw/zinc/26/13/58/604261358.db2.gz VEIZLAZGFCGELB-CMPLNLGQSA-N -1 0 362.452 -0.203 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)C2CCN(S(N)(=O)=O)CC2)C1 ZINC000825204893 604261368 /nfs/dbraw/zinc/26/13/68/604261368.db2.gz VEIZLAZGFCGELB-JQWIXIFHSA-N -1 0 362.452 -0.203 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)C2CCN(S(N)(=O)=O)CC2)C1 ZINC000825204895 604261409 /nfs/dbraw/zinc/26/14/09/604261409.db2.gz VEIZLAZGFCGELB-PWSUYJOCSA-N -1 0 362.452 -0.203 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)C2CCN(S(N)(=O)=O)CC2)C1 ZINC000825204896 604261425 /nfs/dbraw/zinc/26/14/25/604261425.db2.gz VEIZLAZGFCGELB-ZYHUDNBSSA-N -1 0 362.452 -0.203 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)C1 ZINC000825211165 604260483 /nfs/dbraw/zinc/26/04/83/604260483.db2.gz OZVOPBQHEFUBEW-GHMZBOCLSA-N -1 0 373.435 -0.185 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)C1 ZINC000825211166 604260482 /nfs/dbraw/zinc/26/04/82/604260482.db2.gz OZVOPBQHEFUBEW-MNOVXSKESA-N -1 0 373.435 -0.185 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)C1 ZINC000825211167 604260641 /nfs/dbraw/zinc/26/06/41/604260641.db2.gz OZVOPBQHEFUBEW-QWRGUYRKSA-N -1 0 373.435 -0.185 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)C1 ZINC000825211168 604260679 /nfs/dbraw/zinc/26/06/79/604260679.db2.gz OZVOPBQHEFUBEW-WDEREUQCSA-N -1 0 373.435 -0.185 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C1 ZINC000825211643 604259983 /nfs/dbraw/zinc/25/99/83/604259983.db2.gz RLJXIINJMKDXTR-GHMZBOCLSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C1 ZINC000825211645 604260025 /nfs/dbraw/zinc/26/00/25/604260025.db2.gz RLJXIINJMKDXTR-MNOVXSKESA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C1 ZINC000825211647 604260006 /nfs/dbraw/zinc/26/00/06/604260006.db2.gz RLJXIINJMKDXTR-QWRGUYRKSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C1 ZINC000825211649 604259950 /nfs/dbraw/zinc/25/99/50/604259950.db2.gz RLJXIINJMKDXTR-WDEREUQCSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C1 ZINC000825212098 604151721 /nfs/dbraw/zinc/15/17/21/604151721.db2.gz UCEOSTADKASZSI-FNSAGKMKSA-N -1 0 364.402 -0.008 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C1 ZINC000825212099 604151680 /nfs/dbraw/zinc/15/16/80/604151680.db2.gz UCEOSTADKASZSI-KZQRZKTQSA-N -1 0 364.402 -0.008 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)C1 ZINC000825212100 604151643 /nfs/dbraw/zinc/15/16/43/604151643.db2.gz UCEOSTADKASZSI-MVSYMCDOSA-N -1 0 364.402 -0.008 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)C1 ZINC000825212101 604151655 /nfs/dbraw/zinc/15/16/55/604151655.db2.gz UCEOSTADKASZSI-QHDQMSKJSA-N -1 0 364.402 -0.008 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)C1 ZINC000825212365 604208300 /nfs/dbraw/zinc/20/83/00/604208300.db2.gz UVYGWXFYSSTTKW-GHMZBOCLSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)C1 ZINC000825212366 604208603 /nfs/dbraw/zinc/20/86/03/604208603.db2.gz UVYGWXFYSSTTKW-MNOVXSKESA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)C1 ZINC000825212368 604208692 /nfs/dbraw/zinc/20/86/92/604208692.db2.gz UVYGWXFYSSTTKW-QWRGUYRKSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)C1 ZINC000825212369 604208486 /nfs/dbraw/zinc/20/84/86/604208486.db2.gz UVYGWXFYSSTTKW-WDEREUQCSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)C1 ZINC000825220540 604297506 /nfs/dbraw/zinc/29/75/06/604297506.db2.gz UZJXIFODZASAOZ-NXEZZACHSA-N -1 0 359.408 -0.575 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)C1 ZINC000825220541 604297208 /nfs/dbraw/zinc/29/72/08/604297208.db2.gz UZJXIFODZASAOZ-UWVGGRQHSA-N -1 0 359.408 -0.575 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)C1 ZINC000825220542 604297342 /nfs/dbraw/zinc/29/73/42/604297342.db2.gz UZJXIFODZASAOZ-VHSXEESVSA-N -1 0 359.408 -0.575 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)C1 ZINC000825220543 604297528 /nfs/dbraw/zinc/29/75/28/604297528.db2.gz UZJXIFODZASAOZ-ZJUUUORDSA-N -1 0 359.408 -0.575 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=S)NCCNS(C)(=O)=O)C1 ZINC000825251797 604035667 /nfs/dbraw/zinc/03/56/67/604035667.db2.gz AZCFOJAQRDEANR-NXEZZACHSA-N -1 0 352.482 -0.222 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=S)NCCNS(C)(=O)=O)C1 ZINC000825251798 604035451 /nfs/dbraw/zinc/03/54/51/604035451.db2.gz AZCFOJAQRDEANR-UWVGGRQHSA-N -1 0 352.482 -0.222 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=S)NCCNS(C)(=O)=O)C1 ZINC000825251799 604035958 /nfs/dbraw/zinc/03/59/58/604035958.db2.gz AZCFOJAQRDEANR-VHSXEESVSA-N -1 0 352.482 -0.222 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=S)NCCNS(C)(=O)=O)C1 ZINC000825251800 604035902 /nfs/dbraw/zinc/03/59/02/604035902.db2.gz AZCFOJAQRDEANR-ZJUUUORDSA-N -1 0 352.482 -0.222 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC000825253818 604257439 /nfs/dbraw/zinc/25/74/39/604257439.db2.gz KMPWJJVMJZFQST-GHMZBOCLSA-N -1 0 352.395 -0.125 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC000825253819 604257511 /nfs/dbraw/zinc/25/75/11/604257511.db2.gz KMPWJJVMJZFQST-MNOVXSKESA-N -1 0 352.395 -0.125 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC000825253820 604257413 /nfs/dbraw/zinc/25/74/13/604257413.db2.gz KMPWJJVMJZFQST-QWRGUYRKSA-N -1 0 352.395 -0.125 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC000825253821 604257477 /nfs/dbraw/zinc/25/74/77/604257477.db2.gz KMPWJJVMJZFQST-WDEREUQCSA-N -1 0 352.395 -0.125 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000825264319 604181773 /nfs/dbraw/zinc/18/17/73/604181773.db2.gz JGDGOMMFPONXTE-NXEZZACHSA-N -1 0 367.406 -0.783 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000825264320 604181681 /nfs/dbraw/zinc/18/16/81/604181681.db2.gz JGDGOMMFPONXTE-UWVGGRQHSA-N -1 0 367.406 -0.783 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000825264321 604182242 /nfs/dbraw/zinc/18/22/42/604182242.db2.gz JGDGOMMFPONXTE-VHSXEESVSA-N -1 0 367.406 -0.783 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000825264322 604182340 /nfs/dbraw/zinc/18/23/40/604182340.db2.gz JGDGOMMFPONXTE-ZJUUUORDSA-N -1 0 367.406 -0.783 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000825271056 604169926 /nfs/dbraw/zinc/16/99/26/604169926.db2.gz DKJCGZVCPLMFDL-NXEZZACHSA-N -1 0 364.406 -0.172 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000825271058 604169772 /nfs/dbraw/zinc/16/97/72/604169772.db2.gz DKJCGZVCPLMFDL-UWVGGRQHSA-N -1 0 364.406 -0.172 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000825271059 604169471 /nfs/dbraw/zinc/16/94/71/604169471.db2.gz DKJCGZVCPLMFDL-VHSXEESVSA-N -1 0 364.406 -0.172 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000825271060 604169389 /nfs/dbraw/zinc/16/93/89/604169389.db2.gz DKJCGZVCPLMFDL-ZJUUUORDSA-N -1 0 364.406 -0.172 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000825271991 604041039 /nfs/dbraw/zinc/04/10/39/604041039.db2.gz IDHOLASWUDLXGB-NXEZZACHSA-N -1 0 374.419 -0.859 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000825271996 604041044 /nfs/dbraw/zinc/04/10/44/604041044.db2.gz IDHOLASWUDLXGB-UWVGGRQHSA-N -1 0 374.419 -0.859 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000825271998 604040895 /nfs/dbraw/zinc/04/08/95/604040895.db2.gz IDHOLASWUDLXGB-VHSXEESVSA-N -1 0 374.419 -0.859 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000825272000 604041017 /nfs/dbraw/zinc/04/10/17/604041017.db2.gz IDHOLASWUDLXGB-ZJUUUORDSA-N -1 0 374.419 -0.859 20 0 FBADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC1 ZINC000825281073 603529531 /nfs/dbraw/zinc/52/95/31/603529531.db2.gz PTSLAQAKLSEQME-JTQLQIEISA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC1 ZINC000825281074 603529660 /nfs/dbraw/zinc/52/96/60/603529660.db2.gz PTSLAQAKLSEQME-SNVBAGLBSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CCO1 ZINC000825292192 604714138 /nfs/dbraw/zinc/71/41/38/604714138.db2.gz ACDWTNOUQQFCBK-HOSYDEDBSA-N -1 0 351.363 -0.354 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCO1 ZINC000825292194 604714067 /nfs/dbraw/zinc/71/40/67/604714067.db2.gz ACDWTNOUQQFCBK-JBLDHEPKSA-N -1 0 351.363 -0.354 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCO1 ZINC000825292196 604713909 /nfs/dbraw/zinc/71/39/09/604713909.db2.gz ACDWTNOUQQFCBK-NHCYSSNCSA-N -1 0 351.363 -0.354 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CCO1 ZINC000825292197 604713855 /nfs/dbraw/zinc/71/38/55/604713855.db2.gz ACDWTNOUQQFCBK-UMNHJUIQSA-N -1 0 351.363 -0.354 20 0 FBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000825292313 661104185 /nfs/dbraw/zinc/10/41/85/661104185.db2.gz HABUAPDDQIWMIY-UHFFFAOYSA-N -1 0 352.357 -0.324 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N(C)CC(=O)N1CCN(C)CC1 ZINC000825292816 661103864 /nfs/dbraw/zinc/10/38/64/661103864.db2.gz KWXXJTGPEKKAAH-LBPRGKRZSA-N -1 0 366.384 -0.078 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)CCO1 ZINC000825294112 604727341 /nfs/dbraw/zinc/72/73/41/604727341.db2.gz JXYBCSGUWGKRPW-QJPTWQEYSA-N -1 0 363.436 -0.316 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CCO1 ZINC000825294114 604727612 /nfs/dbraw/zinc/72/76/12/604727612.db2.gz JXYBCSGUWGKRPW-SDDRHHMPSA-N -1 0 363.436 -0.316 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CCO1 ZINC000825294117 604727624 /nfs/dbraw/zinc/72/76/24/604727624.db2.gz JXYBCSGUWGKRPW-SRVKXCTJSA-N -1 0 363.436 -0.316 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)CCO1 ZINC000825294120 604727351 /nfs/dbraw/zinc/72/73/51/604727351.db2.gz JXYBCSGUWGKRPW-TUAOUCFPSA-N -1 0 363.436 -0.316 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)C(=O)Nc2cccn(C)c2=O)CCO1 ZINC000825294708 604741558 /nfs/dbraw/zinc/74/15/58/604741558.db2.gz NJGGNFPAVKFYRW-GXSJLCMTSA-N -1 0 352.347 -0.793 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)C(=O)Nc2cccn(C)c2=O)CCO1 ZINC000825294714 604741788 /nfs/dbraw/zinc/74/17/88/604741788.db2.gz NJGGNFPAVKFYRW-KOLCDFICSA-N -1 0 352.347 -0.793 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)C(=O)Nc2cccn(C)c2=O)CCO1 ZINC000825294715 604741570 /nfs/dbraw/zinc/74/15/70/604741570.db2.gz NJGGNFPAVKFYRW-MWLCHTKSSA-N -1 0 352.347 -0.793 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)C(=O)Nc2cccn(C)c2=O)CCO1 ZINC000825294716 604741603 /nfs/dbraw/zinc/74/16/03/604741603.db2.gz NJGGNFPAVKFYRW-ONGXEEELSA-N -1 0 352.347 -0.793 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CCO1 ZINC000825294909 605402414 /nfs/dbraw/zinc/40/24/14/605402414.db2.gz PULNIWKNGXSALY-AXFHLTTASA-N -1 0 365.452 -0.166 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CCO1 ZINC000825294910 605402714 /nfs/dbraw/zinc/40/27/14/605402714.db2.gz PULNIWKNGXSALY-DCAQKATOSA-N -1 0 365.452 -0.166 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CCO1 ZINC000825294911 605402610 /nfs/dbraw/zinc/40/26/10/605402610.db2.gz PULNIWKNGXSALY-GARJFASQSA-N -1 0 365.452 -0.166 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CCO1 ZINC000825294912 605402742 /nfs/dbraw/zinc/40/27/42/605402742.db2.gz PULNIWKNGXSALY-HBNTYKKESA-N -1 0 365.452 -0.166 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)C(=O)Nc2ccc(N(C)C)nc2)CCO1 ZINC000825295085 604749881 /nfs/dbraw/zinc/74/98/81/604749881.db2.gz RNLKLZKTQURJOW-CMPLNLGQSA-N -1 0 365.390 -0.030 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc(N(C)C)nc2)CCO1 ZINC000825295086 604749913 /nfs/dbraw/zinc/74/99/13/604749913.db2.gz RNLKLZKTQURJOW-JQWIXIFHSA-N -1 0 365.390 -0.030 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc(N(C)C)nc2)CCO1 ZINC000825295087 604749649 /nfs/dbraw/zinc/74/96/49/604749649.db2.gz RNLKLZKTQURJOW-PWSUYJOCSA-N -1 0 365.390 -0.030 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)C(=O)Nc2ccc(N(C)C)nc2)CCO1 ZINC000825295088 604749715 /nfs/dbraw/zinc/74/97/15/604749715.db2.gz RNLKLZKTQURJOW-ZYHUDNBSSA-N -1 0 365.390 -0.030 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000825296024 604722291 /nfs/dbraw/zinc/72/22/91/604722291.db2.gz YRZZLNLARCULPY-CMPLNLGQSA-N -1 0 363.436 -0.459 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000825296025 604722336 /nfs/dbraw/zinc/72/23/36/604722336.db2.gz YRZZLNLARCULPY-JQWIXIFHSA-N -1 0 363.436 -0.459 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000825296026 604722456 /nfs/dbraw/zinc/72/24/56/604722456.db2.gz YRZZLNLARCULPY-PWSUYJOCSA-N -1 0 363.436 -0.459 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000825296027 604722338 /nfs/dbraw/zinc/72/23/38/604722338.db2.gz YRZZLNLARCULPY-ZYHUDNBSSA-N -1 0 363.436 -0.459 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CCO1 ZINC000825296034 604714057 /nfs/dbraw/zinc/71/40/57/604714057.db2.gz YSWDXXRKEASWSA-BNJSKVTLSA-N -1 0 368.390 -0.362 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CCO1 ZINC000825296041 604714121 /nfs/dbraw/zinc/71/41/21/604714121.db2.gz YSWDXXRKEASWSA-HGCMGNBYSA-N -1 0 368.390 -0.362 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CCO1 ZINC000825296043 604714221 /nfs/dbraw/zinc/71/42/21/604714221.db2.gz YSWDXXRKEASWSA-PYXAKPJESA-N -1 0 368.390 -0.362 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CCO1 ZINC000825296045 604713942 /nfs/dbraw/zinc/71/39/42/604713942.db2.gz YSWDXXRKEASWSA-WFOUDUCUSA-N -1 0 368.390 -0.362 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)C(=O)Nc2cccc(C(N)=O)c2)CCO1 ZINC000825296243 604743702 /nfs/dbraw/zinc/74/37/02/604743702.db2.gz ZYCBMYZARRILGZ-BXKDBHETSA-N -1 0 364.358 -0.393 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(N)=O)c2)CCO1 ZINC000825296244 604744058 /nfs/dbraw/zinc/74/40/58/604744058.db2.gz ZYCBMYZARRILGZ-CABZTGNLSA-N -1 0 364.358 -0.393 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)C(=O)Nc2cccc(C(N)=O)c2)CCO1 ZINC000825296245 604743800 /nfs/dbraw/zinc/74/38/00/604743800.db2.gz ZYCBMYZARRILGZ-JOYOIKCWSA-N -1 0 364.358 -0.393 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(N)=O)c2)CCO1 ZINC000825296246 604743788 /nfs/dbraw/zinc/74/37/88/604743788.db2.gz ZYCBMYZARRILGZ-SKDRFNHKSA-N -1 0 364.358 -0.393 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CCO1 ZINC000825301483 604706510 /nfs/dbraw/zinc/70/65/10/604706510.db2.gz JTMTUIBYSKHOPM-KJRLAJNESA-N -1 0 368.390 -0.410 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CCO1 ZINC000825301502 604706515 /nfs/dbraw/zinc/70/65/15/604706515.db2.gz JTMTUIBYSKHOPM-QEKSWQHZSA-N -1 0 368.390 -0.410 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CCO1 ZINC000825301504 604706461 /nfs/dbraw/zinc/70/64/61/604706461.db2.gz JTMTUIBYSKHOPM-YRXQGLPXSA-N -1 0 368.390 -0.410 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CCO1 ZINC000825301505 604706572 /nfs/dbraw/zinc/70/65/72/604706572.db2.gz JTMTUIBYSKHOPM-ZXLZKYRFSA-N -1 0 368.390 -0.410 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)CCc2nc(-c3nc[nH]n3)no2)CCO1 ZINC000825301821 604673378 /nfs/dbraw/zinc/67/33/78/604673378.db2.gz MJAKDHOUPVHVDS-BDAKNGLRSA-N -1 0 365.350 -0.329 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CCc2nc(-c3nc[nH]n3)no2)CCO1 ZINC000825301826 604673459 /nfs/dbraw/zinc/67/34/59/604673459.db2.gz MJAKDHOUPVHVDS-DTWKUNHWSA-N -1 0 365.350 -0.329 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CCc2nc(-c3nc[nH]n3)no2)CCO1 ZINC000825301827 604673510 /nfs/dbraw/zinc/67/35/10/604673510.db2.gz MJAKDHOUPVHVDS-IUCAKERBSA-N -1 0 365.350 -0.329 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)CCc2nc(-c3nc[nH]n3)no2)CCO1 ZINC000825301828 604673711 /nfs/dbraw/zinc/67/37/11/604673711.db2.gz MJAKDHOUPVHVDS-RKDXNWHRSA-N -1 0 365.350 -0.329 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000825302204 604717597 /nfs/dbraw/zinc/71/75/97/604717597.db2.gz OKEVJVQVVYTYFF-AXFHLTTASA-N -1 0 366.461 -0.210 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CS[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000825302206 604717381 /nfs/dbraw/zinc/71/73/81/604717381.db2.gz OKEVJVQVVYTYFF-DCAQKATOSA-N -1 0 366.461 -0.210 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CS[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000825302207 604717475 /nfs/dbraw/zinc/71/74/75/604717475.db2.gz OKEVJVQVVYTYFF-GARJFASQSA-N -1 0 366.461 -0.210 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000825302209 604717467 /nfs/dbraw/zinc/71/74/67/604717467.db2.gz OKEVJVQVVYTYFF-HBNTYKKESA-N -1 0 366.461 -0.210 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)CCCN2C(=O)CN(C)C2=O)CCO1 ZINC000825302211 604711323 /nfs/dbraw/zinc/71/13/23/604711323.db2.gz OMPLYQLLMNPZMG-GHMZBOCLSA-N -1 0 356.379 -0.456 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)CCCN2C(=O)CN(C)C2=O)CCO1 ZINC000825302213 604711240 /nfs/dbraw/zinc/71/12/40/604711240.db2.gz OMPLYQLLMNPZMG-MNOVXSKESA-N -1 0 356.379 -0.456 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CCCN2C(=O)CN(C)C2=O)CCO1 ZINC000825302215 604711373 /nfs/dbraw/zinc/71/13/73/604711373.db2.gz OMPLYQLLMNPZMG-QWRGUYRKSA-N -1 0 356.379 -0.456 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CCCN2C(=O)CN(C)C2=O)CCO1 ZINC000825302217 604711537 /nfs/dbraw/zinc/71/15/37/604711537.db2.gz OMPLYQLLMNPZMG-WDEREUQCSA-N -1 0 356.379 -0.456 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CN(C)C(=O)[C@H](C)n2cccn2)CCO1 ZINC000825302304 604711284 /nfs/dbraw/zinc/71/12/84/604711284.db2.gz PAQCPARAZZZYNF-AVGNSLFASA-N -1 0 367.406 -0.214 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CN(C)C(=O)[C@H](C)n2cccn2)CCO1 ZINC000825302305 604711485 /nfs/dbraw/zinc/71/14/85/604711485.db2.gz PAQCPARAZZZYNF-RWMBFGLXSA-N -1 0 367.406 -0.214 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1)n1cccn1 ZINC000825302306 604711286 /nfs/dbraw/zinc/71/12/86/604711286.db2.gz PAQCPARAZZZYNF-XQQFMLRXSA-N -1 0 367.406 -0.214 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1)n1cccn1 ZINC000825302307 604711412 /nfs/dbraw/zinc/71/14/12/604711412.db2.gz PAQCPARAZZZYNF-YNEHKIRRSA-N -1 0 367.406 -0.214 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)CN(C)c2ncnc3nc[nH]c32)CCO1 ZINC000825302577 604675256 /nfs/dbraw/zinc/67/52/56/604675256.db2.gz RLRIOTVRELABSW-NXEZZACHSA-N -1 0 363.378 -0.327 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CN(C)c2ncnc3nc[nH]c32)CCO1 ZINC000825302578 604675567 /nfs/dbraw/zinc/67/55/67/604675567.db2.gz RLRIOTVRELABSW-UWVGGRQHSA-N -1 0 363.378 -0.327 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CN(C)c2ncnc3nc[nH]c32)CCO1 ZINC000825302579 604675411 /nfs/dbraw/zinc/67/54/11/604675411.db2.gz RLRIOTVRELABSW-VHSXEESVSA-N -1 0 363.378 -0.327 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)CN(C)c2ncnc3nc[nH]c32)CCO1 ZINC000825302580 604675200 /nfs/dbraw/zinc/67/52/00/604675200.db2.gz RLRIOTVRELABSW-ZJUUUORDSA-N -1 0 363.378 -0.327 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CCO1 ZINC000825302891 604675297 /nfs/dbraw/zinc/67/52/97/604675297.db2.gz SXEJMPYFWORWIB-GHMZBOCLSA-N -1 0 368.390 -0.266 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CCO1 ZINC000825302893 604675233 /nfs/dbraw/zinc/67/52/33/604675233.db2.gz SXEJMPYFWORWIB-MNOVXSKESA-N -1 0 368.390 -0.266 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CCO1 ZINC000825302895 604675360 /nfs/dbraw/zinc/67/53/60/604675360.db2.gz SXEJMPYFWORWIB-QWRGUYRKSA-N -1 0 368.390 -0.266 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CCO1 ZINC000825302896 604675207 /nfs/dbraw/zinc/67/52/07/604675207.db2.gz SXEJMPYFWORWIB-WDEREUQCSA-N -1 0 368.390 -0.266 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)CCO1 ZINC000825303472 604700080 /nfs/dbraw/zinc/70/00/80/604700080.db2.gz WBAYAWQCVRRDCE-GHMZBOCLSA-N -1 0 370.406 -0.020 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)CCO1 ZINC000825303475 604700046 /nfs/dbraw/zinc/70/00/46/604700046.db2.gz WBAYAWQCVRRDCE-MNOVXSKESA-N -1 0 370.406 -0.020 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)CCO1 ZINC000825303479 604700012 /nfs/dbraw/zinc/70/00/12/604700012.db2.gz WBAYAWQCVRRDCE-QWRGUYRKSA-N -1 0 370.406 -0.020 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)CCO1 ZINC000825303482 604700113 /nfs/dbraw/zinc/70/01/13/604700113.db2.gz WBAYAWQCVRRDCE-WDEREUQCSA-N -1 0 370.406 -0.020 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CNC(=O)NCc2ccco2)CCO1 ZINC000825303831 604711304 /nfs/dbraw/zinc/71/13/04/604711304.db2.gz XAFKFDADHWFCBX-CMPLNLGQSA-N -1 0 354.363 -0.038 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CNC(=O)NCc2ccco2)CCO1 ZINC000825303835 604711272 /nfs/dbraw/zinc/71/12/72/604711272.db2.gz XAFKFDADHWFCBX-JQWIXIFHSA-N -1 0 354.363 -0.038 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)CNC(=O)NCc2ccco2)CCO1 ZINC000825303837 604711335 /nfs/dbraw/zinc/71/13/35/604711335.db2.gz XAFKFDADHWFCBX-PWSUYJOCSA-N -1 0 354.363 -0.038 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)CNC(=O)NCc2ccco2)CCO1 ZINC000825303843 604711266 /nfs/dbraw/zinc/71/12/66/604711266.db2.gz XAFKFDADHWFCBX-ZYHUDNBSSA-N -1 0 354.363 -0.038 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)CCO1 ZINC000825303893 604712808 /nfs/dbraw/zinc/71/28/08/604712808.db2.gz XJUCCFOAJCWNLL-NXEZZACHSA-N -1 0 351.425 -0.412 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)CCO1 ZINC000825303894 604712692 /nfs/dbraw/zinc/71/26/92/604712692.db2.gz XJUCCFOAJCWNLL-UWVGGRQHSA-N -1 0 351.425 -0.412 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)CCO1 ZINC000825303895 604712826 /nfs/dbraw/zinc/71/28/26/604712826.db2.gz XJUCCFOAJCWNLL-VHSXEESVSA-N -1 0 351.425 -0.412 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)CCO1 ZINC000825303897 604712822 /nfs/dbraw/zinc/71/28/22/604712822.db2.gz XJUCCFOAJCWNLL-ZJUUUORDSA-N -1 0 351.425 -0.412 20 0 FBADRM CCCN(CC(=O)OCC)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000825307584 607986790 /nfs/dbraw/zinc/98/67/90/607986790.db2.gz GBFQEXDOBAODMD-UHFFFAOYSA-N -1 0 351.367 -0.956 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)CSc2nnnn2C2CC2)CCO1 ZINC000825308179 604705227 /nfs/dbraw/zinc/70/52/27/604705227.db2.gz DARSZYRGESWTPS-PSASIEDQSA-N -1 0 356.408 -0.016 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)CSc2nnnn2C2CC2)CCO1 ZINC000825308181 604705247 /nfs/dbraw/zinc/70/52/47/604705247.db2.gz DARSZYRGESWTPS-SCZZXKLOSA-N -1 0 356.408 -0.016 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CSc2nnnn2C2CC2)CCO1 ZINC000825308183 604705049 /nfs/dbraw/zinc/70/50/49/604705049.db2.gz DARSZYRGESWTPS-WCBMZHEXSA-N -1 0 356.408 -0.016 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CSc2nnnn2C2CC2)CCO1 ZINC000825308184 604705037 /nfs/dbraw/zinc/70/50/37/604705037.db2.gz DARSZYRGESWTPS-WPRPVWTQSA-N -1 0 356.408 -0.016 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCC(=O)N2CCN(C)CC2)CCO1 ZINC000825308328 604786998 /nfs/dbraw/zinc/78/69/98/604786998.db2.gz DUEORAVMIKBFEG-CHWSQXEVSA-N -1 0 371.438 -0.783 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCC(=O)N2CCN(C)CC2)CCO1 ZINC000825308329 604786857 /nfs/dbraw/zinc/78/68/57/604786857.db2.gz DUEORAVMIKBFEG-OLZOCXBDSA-N -1 0 371.438 -0.783 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCC(=O)N2CCN(C)CC2)CCO1 ZINC000825308330 604786854 /nfs/dbraw/zinc/78/68/54/604786854.db2.gz DUEORAVMIKBFEG-QWHCGFSZSA-N -1 0 371.438 -0.783 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCC(=O)N2CCN(C)CC2)CCO1 ZINC000825308331 604786931 /nfs/dbraw/zinc/78/69/31/604786931.db2.gz DUEORAVMIKBFEG-STQMWFEESA-N -1 0 371.438 -0.783 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000825308456 604708604 /nfs/dbraw/zinc/70/86/04/604708604.db2.gz GCMWQLPHRCMHFD-GWCFXTLKSA-N -1 0 371.415 -0.240 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000825308457 604708671 /nfs/dbraw/zinc/70/86/71/604708671.db2.gz GCMWQLPHRCMHFD-GXFFZTMASA-N -1 0 371.415 -0.240 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000825308458 604708657 /nfs/dbraw/zinc/70/86/57/604708657.db2.gz GCMWQLPHRCMHFD-MFKMUULPSA-N -1 0 371.415 -0.240 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000825308459 604708681 /nfs/dbraw/zinc/70/86/81/604708681.db2.gz GCMWQLPHRCMHFD-ZWNOBZJWSA-N -1 0 371.415 -0.240 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCC(C)(C)S(C)(=O)=O)CCO1 ZINC000825309846 604559727 /nfs/dbraw/zinc/55/97/27/604559727.db2.gz LYQFGNLWBHIKOZ-NXEZZACHSA-N -1 0 351.425 -0.124 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCC(C)(C)S(C)(=O)=O)CCO1 ZINC000825309849 604559530 /nfs/dbraw/zinc/55/95/30/604559530.db2.gz LYQFGNLWBHIKOZ-UWVGGRQHSA-N -1 0 351.425 -0.124 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCC(C)(C)S(C)(=O)=O)CCO1 ZINC000825309852 604559577 /nfs/dbraw/zinc/55/95/77/604559577.db2.gz LYQFGNLWBHIKOZ-VHSXEESVSA-N -1 0 351.425 -0.124 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCC(C)(C)S(C)(=O)=O)CCO1 ZINC000825309854 604559487 /nfs/dbraw/zinc/55/94/87/604559487.db2.gz LYQFGNLWBHIKOZ-ZJUUUORDSA-N -1 0 351.425 -0.124 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)CCO1 ZINC000825310114 604665471 /nfs/dbraw/zinc/66/54/71/604665471.db2.gz NICHOGYVGKUHOT-GWCFXTLKSA-N -1 0 361.358 -0.325 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)CCO1 ZINC000825310117 604665454 /nfs/dbraw/zinc/66/54/54/604665454.db2.gz NICHOGYVGKUHOT-GXFFZTMASA-N -1 0 361.358 -0.325 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)CCO1 ZINC000825310120 604665584 /nfs/dbraw/zinc/66/55/84/604665584.db2.gz NICHOGYVGKUHOT-MFKMUULPSA-N -1 0 361.358 -0.325 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)CCO1 ZINC000825310122 604665489 /nfs/dbraw/zinc/66/54/89/604665489.db2.gz NICHOGYVGKUHOT-ZWNOBZJWSA-N -1 0 361.358 -0.325 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCC(C)(C)NS(C)(=O)=O)CCO1 ZINC000825311206 604550357 /nfs/dbraw/zinc/55/03/57/604550357.db2.gz RXYNZJPQDGJRSP-NXEZZACHSA-N -1 0 366.440 -0.619 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCC(C)(C)NS(C)(=O)=O)CCO1 ZINC000825311207 604550433 /nfs/dbraw/zinc/55/04/33/604550433.db2.gz RXYNZJPQDGJRSP-UWVGGRQHSA-N -1 0 366.440 -0.619 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCC(C)(C)NS(C)(=O)=O)CCO1 ZINC000825311208 604550382 /nfs/dbraw/zinc/55/03/82/604550382.db2.gz RXYNZJPQDGJRSP-VHSXEESVSA-N -1 0 366.440 -0.619 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCC(C)(C)NS(C)(=O)=O)CCO1 ZINC000825311209 604550705 /nfs/dbraw/zinc/55/07/05/604550705.db2.gz RXYNZJPQDGJRSP-ZJUUUORDSA-N -1 0 366.440 -0.619 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)CCO1 ZINC000825311535 604665339 /nfs/dbraw/zinc/66/53/39/604665339.db2.gz SRADONFUHHCXIB-GXSJLCMTSA-N -1 0 364.362 -0.987 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)CCO1 ZINC000825311549 604665374 /nfs/dbraw/zinc/66/53/74/604665374.db2.gz SRADONFUHHCXIB-KOLCDFICSA-N -1 0 364.362 -0.987 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)CCO1 ZINC000825311552 604665565 /nfs/dbraw/zinc/66/55/65/604665565.db2.gz SRADONFUHHCXIB-MWLCHTKSSA-N -1 0 364.362 -0.987 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)CCO1 ZINC000825311554 604665453 /nfs/dbraw/zinc/66/54/53/604665453.db2.gz SRADONFUHHCXIB-ONGXEEELSA-N -1 0 364.362 -0.987 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCC2(CS(C)(=O)=O)CC2)CCO1 ZINC000825311636 604559717 /nfs/dbraw/zinc/55/97/17/604559717.db2.gz UAGKTAXZRKIZLL-GHMZBOCLSA-N -1 0 363.436 -0.122 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCC2(CS(C)(=O)=O)CC2)CCO1 ZINC000825311638 604559634 /nfs/dbraw/zinc/55/96/34/604559634.db2.gz UAGKTAXZRKIZLL-MNOVXSKESA-N -1 0 363.436 -0.122 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCC2(CS(C)(=O)=O)CC2)CCO1 ZINC000825311640 604559513 /nfs/dbraw/zinc/55/95/13/604559513.db2.gz UAGKTAXZRKIZLL-QWRGUYRKSA-N -1 0 363.436 -0.122 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCC2(CS(C)(=O)=O)CC2)CCO1 ZINC000825311642 604559835 /nfs/dbraw/zinc/55/98/35/604559835.db2.gz UAGKTAXZRKIZLL-WDEREUQCSA-N -1 0 363.436 -0.122 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCC(=O)N2CCOCC2)CCO1 ZINC000825312178 604537391 /nfs/dbraw/zinc/53/73/91/604537391.db2.gz WABVOPFIMBCPME-NEPJUHHUSA-N -1 0 358.395 -0.698 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCC(=O)N2CCOCC2)CCO1 ZINC000825312179 604537307 /nfs/dbraw/zinc/53/73/07/604537307.db2.gz WABVOPFIMBCPME-NWDGAFQWSA-N -1 0 358.395 -0.698 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCC(=O)N2CCOCC2)CCO1 ZINC000825312181 604537382 /nfs/dbraw/zinc/53/73/82/604537382.db2.gz WABVOPFIMBCPME-RYUDHWBXSA-N -1 0 358.395 -0.698 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCC(=O)N2CCOCC2)CCO1 ZINC000825312182 604537362 /nfs/dbraw/zinc/53/73/62/604537362.db2.gz WABVOPFIMBCPME-VXGBXAGGSA-N -1 0 358.395 -0.698 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCC(=O)NCC(F)(F)F)CCO1 ZINC000825313247 604539605 /nfs/dbraw/zinc/53/96/05/604539605.db2.gz ZJRDWLXJZUTNHB-HTQZYQBOSA-N -1 0 356.301 -0.269 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCC(=O)NCC(F)(F)F)CCO1 ZINC000825313248 604539349 /nfs/dbraw/zinc/53/93/49/604539349.db2.gz ZJRDWLXJZUTNHB-JGVFFNPUSA-N -1 0 356.301 -0.269 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCC(=O)NCC(F)(F)F)CCO1 ZINC000825313249 604539303 /nfs/dbraw/zinc/53/93/03/604539303.db2.gz ZJRDWLXJZUTNHB-SFYZADRCSA-N -1 0 356.301 -0.269 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCC(=O)NCC(F)(F)F)CCO1 ZINC000825313250 604539596 /nfs/dbraw/zinc/53/95/96/604539596.db2.gz ZJRDWLXJZUTNHB-YUMQZZPRSA-N -1 0 356.301 -0.269 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCc2nnc3n2CCC3)CCO1 ZINC000825317572 604819387 /nfs/dbraw/zinc/81/93/87/604819387.db2.gz HFKRBALIMNHFSK-GHMZBOCLSA-N -1 0 352.395 -0.167 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCc2nnc3n2CCC3)CCO1 ZINC000825317573 604819903 /nfs/dbraw/zinc/81/99/03/604819903.db2.gz HFKRBALIMNHFSK-MNOVXSKESA-N -1 0 352.395 -0.167 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCc2nnc3n2CCC3)CCO1 ZINC000825317574 604819940 /nfs/dbraw/zinc/81/99/40/604819940.db2.gz HFKRBALIMNHFSK-QWRGUYRKSA-N -1 0 352.395 -0.167 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCc2nnc3n2CCC3)CCO1 ZINC000825317575 604819451 /nfs/dbraw/zinc/81/94/51/604819451.db2.gz HFKRBALIMNHFSK-WDEREUQCSA-N -1 0 352.395 -0.167 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCCN2C(=O)CCC2=O)CCO1 ZINC000825317580 604549187 /nfs/dbraw/zinc/54/91/87/604549187.db2.gz HIBMBZMVYHCEMC-GHMZBOCLSA-N -1 0 356.379 -0.408 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCCN2C(=O)CCC2=O)CCO1 ZINC000825317581 604549210 /nfs/dbraw/zinc/54/92/10/604549210.db2.gz HIBMBZMVYHCEMC-MNOVXSKESA-N -1 0 356.379 -0.408 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCCN2C(=O)CCC2=O)CCO1 ZINC000825317582 604549153 /nfs/dbraw/zinc/54/91/53/604549153.db2.gz HIBMBZMVYHCEMC-QWRGUYRKSA-N -1 0 356.379 -0.408 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCCN2C(=O)CCC2=O)CCO1 ZINC000825317583 604549159 /nfs/dbraw/zinc/54/91/59/604549159.db2.gz HIBMBZMVYHCEMC-WDEREUQCSA-N -1 0 356.379 -0.408 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCc2ccc(C(N)=O)nc2)CCO1 ZINC000825317888 604819819 /nfs/dbraw/zinc/81/98/19/604819819.db2.gz KCRRXXMGSATFMD-BXKDBHETSA-N -1 0 351.363 -0.253 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCc2ccc(C(N)=O)nc2)CCO1 ZINC000825317889 604819436 /nfs/dbraw/zinc/81/94/36/604819436.db2.gz KCRRXXMGSATFMD-CABZTGNLSA-N -1 0 351.363 -0.253 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCc2ccc(C(N)=O)nc2)CCO1 ZINC000825317890 604819447 /nfs/dbraw/zinc/81/94/47/604819447.db2.gz KCRRXXMGSATFMD-JOYOIKCWSA-N -1 0 351.363 -0.253 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCc2ccc(C(N)=O)nc2)CCO1 ZINC000825317891 604819689 /nfs/dbraw/zinc/81/96/89/604819689.db2.gz KCRRXXMGSATFMD-SKDRFNHKSA-N -1 0 351.363 -0.253 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCS(=O)(=O)CC2CC2)CCO1 ZINC000825318315 604320876 /nfs/dbraw/zinc/32/08/76/604320876.db2.gz MMEZYBZDZSIHNZ-CMPLNLGQSA-N -1 0 363.436 -0.122 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCS(=O)(=O)CC2CC2)CCO1 ZINC000825318317 604320505 /nfs/dbraw/zinc/32/05/05/604320505.db2.gz MMEZYBZDZSIHNZ-JQWIXIFHSA-N -1 0 363.436 -0.122 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCS(=O)(=O)CC2CC2)CCO1 ZINC000825318318 604320473 /nfs/dbraw/zinc/32/04/73/604320473.db2.gz MMEZYBZDZSIHNZ-PWSUYJOCSA-N -1 0 363.436 -0.122 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCS(=O)(=O)CC2CC2)CCO1 ZINC000825318320 604320492 /nfs/dbraw/zinc/32/04/92/604320492.db2.gz MMEZYBZDZSIHNZ-ZYHUDNBSSA-N -1 0 363.436 -0.122 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCN2CCCS2(=O)=O)CCO1 ZINC000825318688 604543192 /nfs/dbraw/zinc/54/31/92/604543192.db2.gz PBLWOZCHRCICDY-GHMZBOCLSA-N -1 0 364.424 -0.912 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCN2CCCS2(=O)=O)CCO1 ZINC000825318689 604542949 /nfs/dbraw/zinc/54/29/49/604542949.db2.gz PBLWOZCHRCICDY-MNOVXSKESA-N -1 0 364.424 -0.912 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCN2CCCS2(=O)=O)CCO1 ZINC000825318690 604543007 /nfs/dbraw/zinc/54/30/07/604543007.db2.gz PBLWOZCHRCICDY-QWRGUYRKSA-N -1 0 364.424 -0.912 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCN2CCCS2(=O)=O)CCO1 ZINC000825318691 604542882 /nfs/dbraw/zinc/54/28/82/604542882.db2.gz PBLWOZCHRCICDY-WDEREUQCSA-N -1 0 364.424 -0.912 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCNC(=O)c2cccnc2)CCO1 ZINC000825318924 604786711 /nfs/dbraw/zinc/78/67/11/604786711.db2.gz QHUBXVYGAAIEQI-AAEUAGOBSA-N -1 0 365.390 -0.122 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCNC(=O)c2cccnc2)CCO1 ZINC000825318925 604786650 /nfs/dbraw/zinc/78/66/50/604786650.db2.gz QHUBXVYGAAIEQI-DGCLKSJQSA-N -1 0 365.390 -0.122 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCNC(=O)c2cccnc2)CCO1 ZINC000825318926 604786908 /nfs/dbraw/zinc/78/69/08/604786908.db2.gz QHUBXVYGAAIEQI-WCQYABFASA-N -1 0 365.390 -0.122 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCNC(=O)c2cccnc2)CCO1 ZINC000825318927 604786754 /nfs/dbraw/zinc/78/67/54/604786754.db2.gz QHUBXVYGAAIEQI-YPMHNXCESA-N -1 0 365.390 -0.122 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCCN(C)S(C)(=O)=O)CCO1 ZINC000825318944 604539618 /nfs/dbraw/zinc/53/96/18/604539618.db2.gz QOVJJEUEYWVAQD-GHMZBOCLSA-N -1 0 366.440 -0.666 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCCN(C)S(C)(=O)=O)CCO1 ZINC000825318945 604539356 /nfs/dbraw/zinc/53/93/56/604539356.db2.gz QOVJJEUEYWVAQD-MNOVXSKESA-N -1 0 366.440 -0.666 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCCN(C)S(C)(=O)=O)CCO1 ZINC000825318946 604539510 /nfs/dbraw/zinc/53/95/10/604539510.db2.gz QOVJJEUEYWVAQD-QWRGUYRKSA-N -1 0 366.440 -0.666 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCCN(C)S(C)(=O)=O)CCO1 ZINC000825318947 604539652 /nfs/dbraw/zinc/53/96/52/604539652.db2.gz QOVJJEUEYWVAQD-WDEREUQCSA-N -1 0 366.440 -0.666 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCOCCS(C)(=O)=O)CCO1 ZINC000825319386 604556248 /nfs/dbraw/zinc/55/62/48/604556248.db2.gz VZMJFLKVNCKSOU-GHMZBOCLSA-N -1 0 367.424 -0.886 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCOCCS(C)(=O)=O)CCO1 ZINC000825319387 604556027 /nfs/dbraw/zinc/55/60/27/604556027.db2.gz VZMJFLKVNCKSOU-MNOVXSKESA-N -1 0 367.424 -0.886 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCOCCS(C)(=O)=O)CCO1 ZINC000825319388 604556128 /nfs/dbraw/zinc/55/61/28/604556128.db2.gz VZMJFLKVNCKSOU-QWRGUYRKSA-N -1 0 367.424 -0.886 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCOCCS(C)(=O)=O)CCO1 ZINC000825319389 604556021 /nfs/dbraw/zinc/55/60/21/604556021.db2.gz VZMJFLKVNCKSOU-WDEREUQCSA-N -1 0 367.424 -0.886 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)cn2C)CCO1 ZINC000825324877 604772494 /nfs/dbraw/zinc/77/24/94/604772494.db2.gz GFAJOTWRHODCSH-GZMMTYOYSA-N -1 0 360.392 -0.830 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)cn2C)CCO1 ZINC000825324878 604772441 /nfs/dbraw/zinc/77/24/41/604772441.db2.gz GFAJOTWRHODCSH-KCJUWKMLSA-N -1 0 360.392 -0.830 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)cn2C)CCO1 ZINC000825324879 604772452 /nfs/dbraw/zinc/77/24/52/604772452.db2.gz GFAJOTWRHODCSH-KWQFWETISA-N -1 0 360.392 -0.830 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)cn2C)CCO1 ZINC000825324880 604772510 /nfs/dbraw/zinc/77/25/10/604772510.db2.gz GFAJOTWRHODCSH-LDYMZIIASA-N -1 0 360.392 -0.830 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CCO1 ZINC000825326797 604703023 /nfs/dbraw/zinc/70/30/23/604703023.db2.gz OUAFXPVXZCDUAZ-BXKDBHETSA-N -1 0 374.419 -0.238 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CCO1 ZINC000825326798 604703801 /nfs/dbraw/zinc/70/38/01/604703801.db2.gz OUAFXPVXZCDUAZ-CABZTGNLSA-N -1 0 374.419 -0.238 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CCO1 ZINC000825326799 604703805 /nfs/dbraw/zinc/70/38/05/604703805.db2.gz OUAFXPVXZCDUAZ-JOYOIKCWSA-N -1 0 374.419 -0.238 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CCO1 ZINC000825326800 604703697 /nfs/dbraw/zinc/70/36/97/604703697.db2.gz OUAFXPVXZCDUAZ-SKDRFNHKSA-N -1 0 374.419 -0.238 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CCO1 ZINC000825328542 604798936 /nfs/dbraw/zinc/79/89/36/604798936.db2.gz VLBHZUVSGDJWIZ-NXEZZACHSA-N -1 0 369.382 -0.745 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CCO1 ZINC000825328545 604799003 /nfs/dbraw/zinc/79/90/03/604799003.db2.gz VLBHZUVSGDJWIZ-UWVGGRQHSA-N -1 0 369.382 -0.745 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CCO1 ZINC000825328548 604799143 /nfs/dbraw/zinc/79/91/43/604799143.db2.gz VLBHZUVSGDJWIZ-VHSXEESVSA-N -1 0 369.382 -0.745 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CCO1 ZINC000825328550 604799170 /nfs/dbraw/zinc/79/91/70/604799170.db2.gz VLBHZUVSGDJWIZ-ZJUUUORDSA-N -1 0 369.382 -0.745 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cccc(CS(N)(=O)=O)c2)CCO1 ZINC000825333805 604685365 /nfs/dbraw/zinc/68/53/65/604685365.db2.gz ABULEIRHVGLARY-GWCFXTLKSA-N -1 0 371.415 -0.028 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cccc(CS(N)(=O)=O)c2)CCO1 ZINC000825333806 604685411 /nfs/dbraw/zinc/68/54/11/604685411.db2.gz ABULEIRHVGLARY-GXFFZTMASA-N -1 0 371.415 -0.028 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cccc(CS(N)(=O)=O)c2)CCO1 ZINC000825333807 604685151 /nfs/dbraw/zinc/68/51/51/604685151.db2.gz ABULEIRHVGLARY-MFKMUULPSA-N -1 0 371.415 -0.028 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cccc(CS(N)(=O)=O)c2)CCO1 ZINC000825333808 604685322 /nfs/dbraw/zinc/68/53/22/604685322.db2.gz ABULEIRHVGLARY-ZWNOBZJWSA-N -1 0 371.415 -0.028 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCO1 ZINC000825333953 604700014 /nfs/dbraw/zinc/70/00/14/604700014.db2.gz CRECKPHKYFMWAA-PELKAZGASA-N -1 0 362.342 -0.287 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCO1 ZINC000825333954 604700129 /nfs/dbraw/zinc/70/01/29/604700129.db2.gz CRECKPHKYFMWAA-PRHODGIISA-N -1 0 362.342 -0.287 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCO1 ZINC000825333955 604700193 /nfs/dbraw/zinc/70/01/93/604700193.db2.gz CRECKPHKYFMWAA-QPUJVOFHSA-N -1 0 362.342 -0.287 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCO1 ZINC000825333956 604700076 /nfs/dbraw/zinc/70/00/76/604700076.db2.gz CRECKPHKYFMWAA-UFBFGSQYSA-N -1 0 362.342 -0.287 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)s2)CCO1 ZINC000825336002 604718084 /nfs/dbraw/zinc/71/80/84/604718084.db2.gz QMTXYZLSQHETMP-HTQZYQBOSA-N -1 0 363.417 -0.107 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)s2)CCO1 ZINC000825336006 604718188 /nfs/dbraw/zinc/71/81/88/604718188.db2.gz QMTXYZLSQHETMP-JGVFFNPUSA-N -1 0 363.417 -0.107 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)s2)CCO1 ZINC000825336008 604718287 /nfs/dbraw/zinc/71/82/87/604718287.db2.gz QMTXYZLSQHETMP-SFYZADRCSA-N -1 0 363.417 -0.107 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)s2)CCO1 ZINC000825336010 604718160 /nfs/dbraw/zinc/71/81/60/604718160.db2.gz QMTXYZLSQHETMP-YUMQZZPRSA-N -1 0 363.417 -0.107 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccc(CS(N)(=O)=O)cc2)CCO1 ZINC000825337204 604700804 /nfs/dbraw/zinc/70/08/04/604700804.db2.gz XKAQVERFUZFSCK-GWCFXTLKSA-N -1 0 371.415 -0.028 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccc(CS(N)(=O)=O)cc2)CCO1 ZINC000825337206 604700763 /nfs/dbraw/zinc/70/07/63/604700763.db2.gz XKAQVERFUZFSCK-GXFFZTMASA-N -1 0 371.415 -0.028 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccc(CS(N)(=O)=O)cc2)CCO1 ZINC000825337207 604700980 /nfs/dbraw/zinc/70/09/80/604700980.db2.gz XKAQVERFUZFSCK-MFKMUULPSA-N -1 0 371.415 -0.028 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccc(CS(N)(=O)=O)cc2)CCO1 ZINC000825337209 604700933 /nfs/dbraw/zinc/70/09/33/604700933.db2.gz XKAQVERFUZFSCK-ZWNOBZJWSA-N -1 0 371.415 -0.028 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cnc3n(c2=O)CCS3)CCO1 ZINC000825342343 604730439 /nfs/dbraw/zinc/73/04/39/604730439.db2.gz BSSVRDAFANZKKI-PSASIEDQSA-N -1 0 354.388 -0.154 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cnc3n(c2=O)CCS3)CCO1 ZINC000825342344 604730248 /nfs/dbraw/zinc/73/02/48/604730248.db2.gz BSSVRDAFANZKKI-SCZZXKLOSA-N -1 0 354.388 -0.154 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cnc3n(c2=O)CCS3)CCO1 ZINC000825342345 604730238 /nfs/dbraw/zinc/73/02/38/604730238.db2.gz BSSVRDAFANZKKI-WCBMZHEXSA-N -1 0 354.388 -0.154 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cnc3n(c2=O)CCS3)CCO1 ZINC000825342346 604730444 /nfs/dbraw/zinc/73/04/44/604730444.db2.gz BSSVRDAFANZKKI-WPRPVWTQSA-N -1 0 354.388 -0.154 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(CC(=O)N2CCN(C(=O)C3CC3)CC2)CCO1 ZINC000825343150 604605906 /nfs/dbraw/zinc/60/59/06/604605906.db2.gz GPVDJMZOJVYQGF-GXTWGEPZSA-N -1 0 368.434 -0.576 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(CC(=O)N2CCN(C(=O)C3CC3)CC2)CCO1 ZINC000825343152 604605276 /nfs/dbraw/zinc/60/52/76/604605276.db2.gz GPVDJMZOJVYQGF-JSGCOSHPSA-N -1 0 368.434 -0.576 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CC(=O)N2CCN(C(=O)C3CC3)CC2)CCO1 ZINC000825343154 604605707 /nfs/dbraw/zinc/60/57/07/604605707.db2.gz GPVDJMZOJVYQGF-OCCSQVGLSA-N -1 0 368.434 -0.576 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(CC(=O)N2CCN(C(=O)C3CC3)CC2)CCO1 ZINC000825343156 604605953 /nfs/dbraw/zinc/60/59/53/604605953.db2.gz GPVDJMZOJVYQGF-TZMCWYRMSA-N -1 0 368.434 -0.576 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(CC(=O)NC(=O)NCC(F)(F)F)CCO1 ZINC000825343438 604625621 /nfs/dbraw/zinc/62/56/21/604625621.db2.gz ILACCZMOVPVECX-HTQZYQBOSA-N -1 0 356.301 -0.269 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(CC(=O)NC(=O)NCC(F)(F)F)CCO1 ZINC000825343440 604625270 /nfs/dbraw/zinc/62/52/70/604625270.db2.gz ILACCZMOVPVECX-JGVFFNPUSA-N -1 0 356.301 -0.269 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CC(=O)NC(=O)NCC(F)(F)F)CCO1 ZINC000825343441 604625398 /nfs/dbraw/zinc/62/53/98/604625398.db2.gz ILACCZMOVPVECX-SFYZADRCSA-N -1 0 356.301 -0.269 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(CC(=O)NC(=O)NCC(F)(F)F)CCO1 ZINC000825343443 604625763 /nfs/dbraw/zinc/62/57/63/604625763.db2.gz ILACCZMOVPVECX-YUMQZZPRSA-N -1 0 356.301 -0.269 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN([C@H]2CC(=O)N(c3cnn(C)c3)C2=O)CCO1 ZINC000825343544 604417508 /nfs/dbraw/zinc/41/75/08/604417508.db2.gz IWAPIIRLJOFLSG-DLOVCJGASA-N -1 0 351.363 -0.591 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN([C@@H]2CC(=O)N(c3cnn(C)c3)C2=O)CCO1 ZINC000825343545 604417406 /nfs/dbraw/zinc/41/74/06/604417406.db2.gz IWAPIIRLJOFLSG-MVWJERBFSA-N -1 0 351.363 -0.591 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN([C@@H]2CC(=O)N(c3cnn(C)c3)C2=O)CCO1 ZINC000825343546 604417481 /nfs/dbraw/zinc/41/74/81/604417481.db2.gz IWAPIIRLJOFLSG-WCQGTBRESA-N -1 0 351.363 -0.591 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN([C@H]2CC(=O)N(c3cnn(C)c3)C2=O)CCO1 ZINC000825343549 604417482 /nfs/dbraw/zinc/41/74/82/604417482.db2.gz IWAPIIRLJOFLSG-ZMLRMANQSA-N -1 0 351.363 -0.591 20 0 FBADRM C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825343592 604609468 /nfs/dbraw/zinc/60/94/68/604609468.db2.gz JNHSZRHRJHSUNP-DMDPSCGWSA-N -1 0 356.423 -0.544 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)CCO1 ZINC000825343595 604609568 /nfs/dbraw/zinc/60/95/68/604609568.db2.gz JNHSZRHRJHSUNP-GMXVVIOVSA-N -1 0 356.423 -0.544 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)CCO1 ZINC000825343598 604609816 /nfs/dbraw/zinc/60/98/16/604609816.db2.gz JNHSZRHRJHSUNP-GVXVVHGQSA-N -1 0 356.423 -0.544 20 0 FBADRM C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825343600 604609928 /nfs/dbraw/zinc/60/99/28/604609928.db2.gz JNHSZRHRJHSUNP-LOWVWBTDSA-N -1 0 356.423 -0.544 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(CC(=O)N2CCC3(CC2)OCCO3)CCO1 ZINC000825343602 604633330 /nfs/dbraw/zinc/63/33/30/604633330.db2.gz JPWUOCMSZKPFBS-CHWSQXEVSA-N -1 0 357.407 -0.291 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CC(=O)N2CCC3(CC2)OCCO3)CCO1 ZINC000825343604 604633260 /nfs/dbraw/zinc/63/32/60/604633260.db2.gz JPWUOCMSZKPFBS-OLZOCXBDSA-N -1 0 357.407 -0.291 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(CC(=O)N2CCC3(CC2)OCCO3)CCO1 ZINC000825343606 604633289 /nfs/dbraw/zinc/63/32/89/604633289.db2.gz JPWUOCMSZKPFBS-QWHCGFSZSA-N -1 0 357.407 -0.291 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(CC(=O)N2CCC3(CC2)OCCO3)CCO1 ZINC000825343607 604633486 /nfs/dbraw/zinc/63/34/86/604633486.db2.gz JPWUOCMSZKPFBS-STQMWFEESA-N -1 0 357.407 -0.291 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CCO1 ZINC000825344042 604617636 /nfs/dbraw/zinc/61/76/36/604617636.db2.gz MLXKHRAHMZBGOW-CYDGBPFRSA-N -1 0 356.423 -0.544 20 0 FBADRM C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825344044 604617342 /nfs/dbraw/zinc/61/73/42/604617342.db2.gz MLXKHRAHMZBGOW-LOWDOPEQSA-N -1 0 356.423 -0.544 20 0 FBADRM C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825344046 604617714 /nfs/dbraw/zinc/61/77/14/604617714.db2.gz MLXKHRAHMZBGOW-RNJOBUHISA-N -1 0 356.423 -0.544 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CCO1 ZINC000825344048 604617830 /nfs/dbraw/zinc/61/78/30/604617830.db2.gz MLXKHRAHMZBGOW-RVMXOQNASA-N -1 0 356.423 -0.544 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825344084 604607150 /nfs/dbraw/zinc/60/71/50/604607150.db2.gz MSNVXNJJMBFDLN-DMDPSCGWSA-N -1 0 356.423 -0.531 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CCO1 ZINC000825344088 604607203 /nfs/dbraw/zinc/60/72/03/604607203.db2.gz MSNVXNJJMBFDLN-GMXVVIOVSA-N -1 0 356.423 -0.531 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CCO1 ZINC000825344090 604607353 /nfs/dbraw/zinc/60/73/53/604607353.db2.gz MSNVXNJJMBFDLN-GVXVVHGQSA-N -1 0 356.423 -0.531 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825344091 604607228 /nfs/dbraw/zinc/60/72/28/604607228.db2.gz MSNVXNJJMBFDLN-LOWVWBTDSA-N -1 0 356.423 -0.531 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(CC(=O)NCC(C)(C)N2CCOCC2)CCO1 ZINC000825344796 604594712 /nfs/dbraw/zinc/59/47/12/604594712.db2.gz PLFCFCPXGRZGIJ-KBPBESRZSA-N -1 0 372.466 -0.430 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CC(=O)NCC(C)(C)N2CCOCC2)CCO1 ZINC000825344807 604594844 /nfs/dbraw/zinc/59/48/44/604594844.db2.gz PLFCFCPXGRZGIJ-KGLIPLIRSA-N -1 0 372.466 -0.430 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(CC(=O)NCC(C)(C)N2CCOCC2)CCO1 ZINC000825344810 604594965 /nfs/dbraw/zinc/59/49/65/604594965.db2.gz PLFCFCPXGRZGIJ-UONOGXRCSA-N -1 0 372.466 -0.430 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(CC(=O)NCC(C)(C)N2CCOCC2)CCO1 ZINC000825344813 604594859 /nfs/dbraw/zinc/59/48/59/604594859.db2.gz PLFCFCPXGRZGIJ-ZIAGYGMSSA-N -1 0 372.466 -0.430 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(CC(=O)NC(=O)NCc2ccco2)CCO1 ZINC000825345496 604617595 /nfs/dbraw/zinc/61/75/95/604617595.db2.gz UHKWYJKLYIDWMN-CMPLNLGQSA-N -1 0 354.363 -0.038 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(CC(=O)NC(=O)NCc2ccco2)CCO1 ZINC000825345497 604617579 /nfs/dbraw/zinc/61/75/79/604617579.db2.gz UHKWYJKLYIDWMN-JQWIXIFHSA-N -1 0 354.363 -0.038 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CC(=O)NC(=O)NCc2ccco2)CCO1 ZINC000825345498 604617312 /nfs/dbraw/zinc/61/73/12/604617312.db2.gz UHKWYJKLYIDWMN-PWSUYJOCSA-N -1 0 354.363 -0.038 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(CC(=O)NC(=O)NCc2ccco2)CCO1 ZINC000825345499 604617784 /nfs/dbraw/zinc/61/77/84/604617784.db2.gz UHKWYJKLYIDWMN-ZYHUDNBSSA-N -1 0 354.363 -0.038 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(CC(=O)NCCCN2CCCC2=O)CCO1 ZINC000825345728 604628353 /nfs/dbraw/zinc/62/83/53/604628353.db2.gz VCZXZKLSRJQFLU-CHWSQXEVSA-N -1 0 356.423 -0.528 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CC(=O)NCCCN2CCCC2=O)CCO1 ZINC000825345729 604628391 /nfs/dbraw/zinc/62/83/91/604628391.db2.gz VCZXZKLSRJQFLU-OLZOCXBDSA-N -1 0 356.423 -0.528 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(CC(=O)NCCCN2CCCC2=O)CCO1 ZINC000825345730 604628013 /nfs/dbraw/zinc/62/80/13/604628013.db2.gz VCZXZKLSRJQFLU-QWHCGFSZSA-N -1 0 356.423 -0.528 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(CC(=O)NCCCN2CCCC2=O)CCO1 ZINC000825345731 604628394 /nfs/dbraw/zinc/62/83/94/604628394.db2.gz VCZXZKLSRJQFLU-STQMWFEESA-N -1 0 356.423 -0.528 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN([C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000825345996 604636079 /nfs/dbraw/zinc/63/60/79/604636079.db2.gz WWINUDWWMBLPJZ-BJDJZHNGSA-N -1 0 363.436 -0.965 20 0 FBADRM C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825346023 604636409 /nfs/dbraw/zinc/63/64/09/604636409.db2.gz WWINUDWWMBLPJZ-QCNOEVLYSA-N -1 0 363.436 -0.965 20 0 FBADRM C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825346025 604636565 /nfs/dbraw/zinc/63/65/65/604636565.db2.gz WWINUDWWMBLPJZ-USZNOCQGSA-N -1 0 363.436 -0.965 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN([C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000825346027 604636012 /nfs/dbraw/zinc/63/60/12/604636012.db2.gz WWINUDWWMBLPJZ-YFKTTZPYSA-N -1 0 363.436 -0.965 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2csc(S(N)(=O)=O)c2)CCO1 ZINC000825346028 604683770 /nfs/dbraw/zinc/68/37/70/604683770.db2.gz WWOUVOJUXDMCQQ-APPZFPTMSA-N -1 0 363.417 -0.107 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2csc(S(N)(=O)=O)c2)CCO1 ZINC000825346030 604683854 /nfs/dbraw/zinc/68/38/54/604683854.db2.gz WWOUVOJUXDMCQQ-CBAPKCEASA-N -1 0 363.417 -0.107 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2csc(S(N)(=O)=O)c2)CCO1 ZINC000825346032 604683825 /nfs/dbraw/zinc/68/38/25/604683825.db2.gz WWOUVOJUXDMCQQ-IONNQARKSA-N -1 0 363.417 -0.107 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2csc(S(N)(=O)=O)c2)CCO1 ZINC000825346034 604683885 /nfs/dbraw/zinc/68/38/85/604683885.db2.gz WWOUVOJUXDMCQQ-VXNVDRBHSA-N -1 0 363.417 -0.107 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)cc1=O ZINC000825348058 661104302 /nfs/dbraw/zinc/10/43/02/661104302.db2.gz WCFYEZUGOSXIIA-GFCCVEGCSA-N -1 0 358.464 -0.133 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(CN2C(=O)NC3(CCOCC3)C2=O)CCO1 ZINC000825350075 604437097 /nfs/dbraw/zinc/43/70/97/604437097.db2.gz GTUSRDLVQOTXKC-GHMZBOCLSA-N -1 0 356.379 -0.598 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CN2C(=O)NC3(CCOCC3)C2=O)CCO1 ZINC000825350076 604437040 /nfs/dbraw/zinc/43/70/40/604437040.db2.gz GTUSRDLVQOTXKC-MNOVXSKESA-N -1 0 356.379 -0.598 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(CN2C(=O)NC3(CCOCC3)C2=O)CCO1 ZINC000825350077 604436858 /nfs/dbraw/zinc/43/68/58/604436858.db2.gz GTUSRDLVQOTXKC-QWRGUYRKSA-N -1 0 356.379 -0.598 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(CN2C(=O)NC3(CCOCC3)C2=O)CCO1 ZINC000825350078 604436861 /nfs/dbraw/zinc/43/68/61/604436861.db2.gz GTUSRDLVQOTXKC-WDEREUQCSA-N -1 0 356.379 -0.598 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(CCNS(=O)(=O)c2cnn(C)c2)CCO1 ZINC000825354116 604612105 /nfs/dbraw/zinc/61/21/05/604612105.db2.gz ZLWBVPJGTFEVGA-CMPLNLGQSA-N -1 0 361.424 -0.945 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(CCNS(=O)(=O)c2cnn(C)c2)CCO1 ZINC000825354117 604612608 /nfs/dbraw/zinc/61/26/08/604612608.db2.gz ZLWBVPJGTFEVGA-JQWIXIFHSA-N -1 0 361.424 -0.945 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CCNS(=O)(=O)c2cnn(C)c2)CCO1 ZINC000825354118 604612333 /nfs/dbraw/zinc/61/23/33/604612333.db2.gz ZLWBVPJGTFEVGA-PWSUYJOCSA-N -1 0 361.424 -0.945 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(CCNS(=O)(=O)c2cnn(C)c2)CCO1 ZINC000825354119 604612471 /nfs/dbraw/zinc/61/24/71/604612471.db2.gz ZLWBVPJGTFEVGA-ZYHUDNBSSA-N -1 0 361.424 -0.945 20 0 FBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)nn1 ZINC000825356633 608316186 /nfs/dbraw/zinc/31/61/86/608316186.db2.gz BNGIZHGIVUOBNL-UHFFFAOYSA-N -1 0 362.375 -0.013 20 0 FBADRM CCCn1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)nn1 ZINC000825357059 608316340 /nfs/dbraw/zinc/31/63/40/608316340.db2.gz WRGFDFPAXLUWHS-UHFFFAOYSA-N -1 0 362.375 -0.013 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CCO1 ZINC000825358304 604488656 /nfs/dbraw/zinc/48/86/56/604488656.db2.gz FPPIULDPKWKDPT-GZMMTYOYSA-N -1 0 360.392 -0.830 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CCO1 ZINC000825358305 604488765 /nfs/dbraw/zinc/48/87/65/604488765.db2.gz FPPIULDPKWKDPT-KCJUWKMLSA-N -1 0 360.392 -0.830 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CCO1 ZINC000825358306 604488542 /nfs/dbraw/zinc/48/85/42/604488542.db2.gz FPPIULDPKWKDPT-KWQFWETISA-N -1 0 360.392 -0.830 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CCO1 ZINC000825358307 604488740 /nfs/dbraw/zinc/48/87/40/604488740.db2.gz FPPIULDPKWKDPT-LDYMZIIASA-N -1 0 360.392 -0.830 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)N(C)C2CCOCC2)CCO1 ZINC000825358583 604488498 /nfs/dbraw/zinc/48/84/98/604488498.db2.gz HCEGDJFIGAZRAD-CMPLNLGQSA-N -1 0 351.425 -0.301 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)N(C)C2CCOCC2)CCO1 ZINC000825358585 604488848 /nfs/dbraw/zinc/48/88/48/604488848.db2.gz HCEGDJFIGAZRAD-JQWIXIFHSA-N -1 0 351.425 -0.301 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)N(C)C2CCOCC2)CCO1 ZINC000825358587 604488626 /nfs/dbraw/zinc/48/86/26/604488626.db2.gz HCEGDJFIGAZRAD-PWSUYJOCSA-N -1 0 351.425 -0.301 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)N(C)C2CCOCC2)CCO1 ZINC000825358589 604488470 /nfs/dbraw/zinc/48/84/70/604488470.db2.gz HCEGDJFIGAZRAD-ZYHUDNBSSA-N -1 0 351.425 -0.301 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)c2ccc(C(N)=O)cc2)CCO1 ZINC000825359432 604494195 /nfs/dbraw/zinc/49/41/95/604494195.db2.gz LEVFVEZPJPMSPB-BXKDBHETSA-N -1 0 357.388 -0.169 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)c2ccc(C(N)=O)cc2)CCO1 ZINC000825359433 604493829 /nfs/dbraw/zinc/49/38/29/604493829.db2.gz LEVFVEZPJPMSPB-CABZTGNLSA-N -1 0 357.388 -0.169 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)c2ccc(C(N)=O)cc2)CCO1 ZINC000825359434 604494200 /nfs/dbraw/zinc/49/42/00/604494200.db2.gz LEVFVEZPJPMSPB-JOYOIKCWSA-N -1 0 357.388 -0.169 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)c2ccc(C(N)=O)cc2)CCO1 ZINC000825359435 604493928 /nfs/dbraw/zinc/49/39/28/604493928.db2.gz LEVFVEZPJPMSPB-SKDRFNHKSA-N -1 0 357.388 -0.169 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CCO1 ZINC000825359730 604490647 /nfs/dbraw/zinc/49/06/47/604490647.db2.gz MHVXNULKKYNPOJ-GXSJLCMTSA-N -1 0 370.449 -0.750 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CCO1 ZINC000825359731 604490688 /nfs/dbraw/zinc/49/06/88/604490688.db2.gz MHVXNULKKYNPOJ-KOLCDFICSA-N -1 0 370.449 -0.750 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CCO1 ZINC000825359732 604490890 /nfs/dbraw/zinc/49/08/90/604490890.db2.gz MHVXNULKKYNPOJ-MWLCHTKSSA-N -1 0 370.449 -0.750 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CCO1 ZINC000825359733 604490897 /nfs/dbraw/zinc/49/08/97/604490897.db2.gz MHVXNULKKYNPOJ-ONGXEEELSA-N -1 0 370.449 -0.750 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(Cn2nc(CCC(N)=O)n(C)c2=S)CCO1 ZINC000825359782 604438086 /nfs/dbraw/zinc/43/80/86/604438086.db2.gz MTBZILXAMGVBSU-NXEZZACHSA-N -1 0 372.451 -0.317 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(Cn2nc(CCC(N)=O)n(C)c2=S)CCO1 ZINC000825359783 604437845 /nfs/dbraw/zinc/43/78/45/604437845.db2.gz MTBZILXAMGVBSU-UWVGGRQHSA-N -1 0 372.451 -0.317 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(Cn2nc(CCC(N)=O)n(C)c2=S)CCO1 ZINC000825359784 604437759 /nfs/dbraw/zinc/43/77/59/604437759.db2.gz MTBZILXAMGVBSU-VHSXEESVSA-N -1 0 372.451 -0.317 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(Cn2nc(CCC(N)=O)n(C)c2=S)CCO1 ZINC000825359785 604437824 /nfs/dbraw/zinc/43/78/24/604437824.db2.gz MTBZILXAMGVBSU-ZJUUUORDSA-N -1 0 372.451 -0.317 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(Cn2cc(S(=O)(=O)N(C)C)cn2)CCO1 ZINC000825361530 604437422 /nfs/dbraw/zinc/43/74/22/604437422.db2.gz TYOSMLNKQAJTIZ-CMPLNLGQSA-N -1 0 361.424 -0.552 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(Cn2cc(S(=O)(=O)N(C)C)cn2)CCO1 ZINC000825361534 604437346 /nfs/dbraw/zinc/43/73/46/604437346.db2.gz TYOSMLNKQAJTIZ-JQWIXIFHSA-N -1 0 361.424 -0.552 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(Cn2cc(S(=O)(=O)N(C)C)cn2)CCO1 ZINC000825361536 604437586 /nfs/dbraw/zinc/43/75/86/604437586.db2.gz TYOSMLNKQAJTIZ-PWSUYJOCSA-N -1 0 361.424 -0.552 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(Cn2cc(S(=O)(=O)N(C)C)cn2)CCO1 ZINC000825361538 604437540 /nfs/dbraw/zinc/43/75/40/604437540.db2.gz TYOSMLNKQAJTIZ-ZYHUDNBSSA-N -1 0 361.424 -0.552 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)CCCS(C)(=O)=O)CCO1 ZINC000825362070 604489540 /nfs/dbraw/zinc/48/95/40/604489540.db2.gz VQJSLUPTHIBVIX-NXEZZACHSA-N -1 0 358.438 -0.892 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)CCCS(C)(=O)=O)CCO1 ZINC000825362072 604489616 /nfs/dbraw/zinc/48/96/16/604489616.db2.gz VQJSLUPTHIBVIX-UWVGGRQHSA-N -1 0 358.438 -0.892 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)CCCS(C)(=O)=O)CCO1 ZINC000825362074 604489622 /nfs/dbraw/zinc/48/96/22/604489622.db2.gz VQJSLUPTHIBVIX-VHSXEESVSA-N -1 0 358.438 -0.892 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)CCCS(C)(=O)=O)CCO1 ZINC000825362077 604489375 /nfs/dbraw/zinc/48/93/75/604489375.db2.gz VQJSLUPTHIBVIX-ZJUUUORDSA-N -1 0 358.438 -0.892 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)CCO1 ZINC000825370448 604451570 /nfs/dbraw/zinc/45/15/70/604451570.db2.gz AVFWMUIVOKWHJP-HTQZYQBOSA-N -1 0 352.351 -0.766 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)CCO1 ZINC000825370453 604451746 /nfs/dbraw/zinc/45/17/46/604451746.db2.gz AVFWMUIVOKWHJP-JGVFFNPUSA-N -1 0 352.351 -0.766 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)CCO1 ZINC000825370456 604451804 /nfs/dbraw/zinc/45/18/04/604451804.db2.gz AVFWMUIVOKWHJP-SFYZADRCSA-N -1 0 352.351 -0.766 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)CCO1 ZINC000825370461 604451599 /nfs/dbraw/zinc/45/15/99/604451599.db2.gz AVFWMUIVOKWHJP-YUMQZZPRSA-N -1 0 352.351 -0.766 20 0 FBADRM CCN(CC)C(=O)CSc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000825406438 607737190 /nfs/dbraw/zinc/73/71/90/607737190.db2.gz OBHDOWCVCBPMIS-UHFFFAOYSA-N -1 0 353.408 -0.775 20 0 FBADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)NCCCS(N)(=O)=O)cc1 ZINC000825408338 604139626 /nfs/dbraw/zinc/13/96/26/604139626.db2.gz IXBSLLRBPXCIOD-SECBINFHSA-N -1 0 372.403 -0.252 20 0 FBADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)NCCCS(N)(=O)=O)cc1 ZINC000825408339 604139841 /nfs/dbraw/zinc/13/98/41/604139841.db2.gz IXBSLLRBPXCIOD-VIFPVBQESA-N -1 0 372.403 -0.252 20 0 FBADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)cc1 ZINC000825408393 603720470 /nfs/dbraw/zinc/72/04/70/603720470.db2.gz JPVODIQSCTUMCA-TVYUQYBPSA-N -1 0 351.359 -0.092 20 0 FBADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)cc1 ZINC000825408397 603720115 /nfs/dbraw/zinc/72/01/15/603720115.db2.gz JPVODIQSCTUMCA-WQAKAFBOSA-N -1 0 351.359 -0.092 20 0 FBADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)NCCS(N)(=O)=O)cc1 ZINC000825409544 604175977 /nfs/dbraw/zinc/17/59/77/604175977.db2.gz PGNNCRLCBYMVSB-MRVPVSSYSA-N -1 0 358.376 -0.642 20 0 FBADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)NCCS(N)(=O)=O)cc1 ZINC000825409546 604175671 /nfs/dbraw/zinc/17/56/71/604175671.db2.gz PGNNCRLCBYMVSB-QMMMGPOBSA-N -1 0 358.376 -0.642 20 0 FBADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)NCCNS(C)(=O)=O)cc1 ZINC000825410275 604114027 /nfs/dbraw/zinc/11/40/27/604114027.db2.gz VIGGKWYEYSJWIW-SECBINFHSA-N -1 0 372.403 -0.381 20 0 FBADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)NCCNS(C)(=O)=O)cc1 ZINC000825410276 604114030 /nfs/dbraw/zinc/11/40/30/604114030.db2.gz VIGGKWYEYSJWIW-VIFPVBQESA-N -1 0 372.403 -0.381 20 0 FBADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 ZINC000825410459 604124819 /nfs/dbraw/zinc/12/48/19/604124819.db2.gz XECKVSOIYMEGFD-BXKDBHETSA-N -1 0 364.358 -0.334 20 0 FBADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1 ZINC000825410460 604124962 /nfs/dbraw/zinc/12/49/62/604124962.db2.gz XECKVSOIYMEGFD-CABZTGNLSA-N -1 0 364.358 -0.334 20 0 FBADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 ZINC000825410461 604124891 /nfs/dbraw/zinc/12/48/91/604124891.db2.gz XECKVSOIYMEGFD-JOYOIKCWSA-N -1 0 364.358 -0.334 20 0 FBADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1 ZINC000825410462 604124913 /nfs/dbraw/zinc/12/49/13/604124913.db2.gz XECKVSOIYMEGFD-SKDRFNHKSA-N -1 0 364.358 -0.334 20 0 FBADRM CCN(CCc1nccs1)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000825428241 607820584 /nfs/dbraw/zinc/82/05/84/607820584.db2.gz GRTPAURPBKRMMA-UHFFFAOYSA-N -1 0 362.419 -0.210 20 0 FBADRM C[C@@H](NC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)C(=O)N1CCS(=O)(=O)CC1 ZINC000825454900 605696428 /nfs/dbraw/zinc/69/64/28/605696428.db2.gz XYCQVAKEBJJIFU-NXEZZACHSA-N -1 0 363.436 -0.570 20 0 FBADRM C[C@H](NC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)C(=O)N1CCS(=O)(=O)CC1 ZINC000825454901 605696753 /nfs/dbraw/zinc/69/67/53/605696753.db2.gz XYCQVAKEBJJIFU-VHSXEESVSA-N -1 0 363.436 -0.570 20 0 FBADRM C[C@@H](NC(=O)c1ccc(CNC(=O)[O-])o1)C(=O)N1CCS(=O)(=O)CC1 ZINC000825460194 602839103 /nfs/dbraw/zinc/83/91/03/602839103.db2.gz YXNZRDHVKYSWCY-SECBINFHSA-N -1 0 373.387 -0.578 20 0 FBADRM C[C@H](NC(=O)c1ccc(CNC(=O)[O-])o1)C(=O)N1CCS(=O)(=O)CC1 ZINC000825460195 602838836 /nfs/dbraw/zinc/83/88/36/602838836.db2.gz YXNZRDHVKYSWCY-VIFPVBQESA-N -1 0 373.387 -0.578 20 0 FBADRM CCNC(=O)CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000825465714 609195724 /nfs/dbraw/zinc/19/57/24/609195724.db2.gz QCKXBEXPWLDVRP-UHFFFAOYSA-N -1 0 374.405 -0.093 20 0 FBADRM CCOC(=O)[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1cccc(O)c1 ZINC000825493800 607941385 /nfs/dbraw/zinc/94/13/85/607941385.db2.gz NUTZFZWYJDMTEB-GFCCVEGCSA-N -1 0 372.345 -0.416 20 0 FBADRM CCOC(=O)[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1cccc(O)c1 ZINC000825493801 607941567 /nfs/dbraw/zinc/94/15/67/607941567.db2.gz NUTZFZWYJDMTEB-LBPRGKRZSA-N -1 0 372.345 -0.416 20 0 FBADRM CCOC(=O)C[C@@H](C)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000825498913 608018189 /nfs/dbraw/zinc/01/81/89/608018189.db2.gz DODPKXGMDVKZTG-MRVPVSSYSA-N -1 0 351.367 -0.735 20 0 FBADRM CCOC(=O)C[C@H](C)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000825498915 608018131 /nfs/dbraw/zinc/01/81/31/608018131.db2.gz DODPKXGMDVKZTG-QMMMGPOBSA-N -1 0 351.367 -0.735 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H]1CCCCN1C(=O)[O-] ZINC000825500995 604178136 /nfs/dbraw/zinc/17/81/36/604178136.db2.gz ALIKYBMYMWJIJR-GHMZBOCLSA-N -1 0 373.435 -0.264 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H]1CCCCN1C(=O)[O-] ZINC000825500996 604178481 /nfs/dbraw/zinc/17/84/81/604178481.db2.gz ALIKYBMYMWJIJR-MNOVXSKESA-N -1 0 373.435 -0.264 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H]1CCCCN1C(=O)[O-] ZINC000825500998 604177912 /nfs/dbraw/zinc/17/79/12/604177912.db2.gz ALIKYBMYMWJIJR-QWRGUYRKSA-N -1 0 373.435 -0.264 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H]1CCCCN1C(=O)[O-] ZINC000825500999 604178431 /nfs/dbraw/zinc/17/84/31/604178431.db2.gz ALIKYBMYMWJIJR-WDEREUQCSA-N -1 0 373.435 -0.264 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(CNC(=O)[O-])CC1 ZINC000825501000 604184859 /nfs/dbraw/zinc/18/48/59/604184859.db2.gz AORIHRLBJPIXNT-JTQLQIEISA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(CNC(=O)[O-])CC1 ZINC000825501001 604184990 /nfs/dbraw/zinc/18/49/90/604184990.db2.gz AORIHRLBJPIXNT-SNVBAGLBSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000825501020 604220821 /nfs/dbraw/zinc/22/08/21/604220821.db2.gz AWNFISROWWIZDX-GZMMTYOYSA-N -1 0 359.408 -0.751 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000825501021 604220819 /nfs/dbraw/zinc/22/08/19/604220819.db2.gz AWNFISROWWIZDX-KCJUWKMLSA-N -1 0 359.408 -0.751 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000825501022 604220710 /nfs/dbraw/zinc/22/07/10/604220710.db2.gz AWNFISROWWIZDX-KWQFWETISA-N -1 0 359.408 -0.751 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000825501023 604220840 /nfs/dbraw/zinc/22/08/40/604220840.db2.gz AWNFISROWWIZDX-LDYMZIIASA-N -1 0 359.408 -0.751 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCCNC(=O)[O-] ZINC000825501024 605402510 /nfs/dbraw/zinc/40/25/10/605402510.db2.gz AWOPREPCIHCXJX-MRVPVSSYSA-N -1 0 359.360 -0.737 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCCNC(=O)[O-] ZINC000825501025 605402664 /nfs/dbraw/zinc/40/26/64/605402664.db2.gz AWOPREPCIHCXJX-QMMMGPOBSA-N -1 0 359.360 -0.737 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000825501031 604211944 /nfs/dbraw/zinc/21/19/44/604211944.db2.gz AYCRDDYQMRPVKY-NXEZZACHSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000825501032 604211788 /nfs/dbraw/zinc/21/17/88/604211788.db2.gz AYCRDDYQMRPVKY-UWVGGRQHSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000825501033 604211822 /nfs/dbraw/zinc/21/18/22/604211822.db2.gz AYCRDDYQMRPVKY-VHSXEESVSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000825501035 604211883 /nfs/dbraw/zinc/21/18/83/604211883.db2.gz AYCRDDYQMRPVKY-ZJUUUORDSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825501338 604216515 /nfs/dbraw/zinc/21/65/15/604216515.db2.gz CGLSYXUNWSGTJV-NXEZZACHSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000825501341 604216512 /nfs/dbraw/zinc/21/65/12/604216512.db2.gz CGLSYXUNWSGTJV-UWVGGRQHSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825501343 604216607 /nfs/dbraw/zinc/21/66/07/604216607.db2.gz CGLSYXUNWSGTJV-VHSXEESVSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000825501344 604216605 /nfs/dbraw/zinc/21/66/05/604216605.db2.gz CGLSYXUNWSGTJV-ZJUUUORDSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000825501406 604188166 /nfs/dbraw/zinc/18/81/66/604188166.db2.gz DDLITRRCMLJKTC-JTQLQIEISA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000825501407 604188292 /nfs/dbraw/zinc/18/82/92/604188292.db2.gz DDLITRRCMLJKTC-SNVBAGLBSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C ZINC000825501408 605720995 /nfs/dbraw/zinc/72/09/95/605720995.db2.gz DEMQMDCVFGYHRS-DCAQKATOSA-N -1 0 373.435 -0.266 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C ZINC000825501409 605721189 /nfs/dbraw/zinc/72/11/89/605721189.db2.gz DEMQMDCVFGYHRS-GARJFASQSA-N -1 0 373.435 -0.266 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000825501410 605720807 /nfs/dbraw/zinc/72/08/07/605720807.db2.gz DEMQMDCVFGYHRS-OUAUKWLOSA-N -1 0 373.435 -0.266 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000825501411 605720802 /nfs/dbraw/zinc/72/08/02/605720802.db2.gz DEMQMDCVFGYHRS-VWYCJHECSA-N -1 0 373.435 -0.266 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000825501678 604178099 /nfs/dbraw/zinc/17/80/99/604178099.db2.gz DRIUYUNYZVRFGD-GHMZBOCLSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000825501681 604178281 /nfs/dbraw/zinc/17/82/81/604178281.db2.gz DRIUYUNYZVRFGD-MNOVXSKESA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000825501682 604178194 /nfs/dbraw/zinc/17/81/94/604178194.db2.gz DRIUYUNYZVRFGD-QWRGUYRKSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000825501684 604178779 /nfs/dbraw/zinc/17/87/79/604178779.db2.gz DRIUYUNYZVRFGD-WDEREUQCSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000825501686 604222957 /nfs/dbraw/zinc/22/29/57/604222957.db2.gz DRLWVUCWGHZJRJ-NXEZZACHSA-N -1 0 359.408 -0.702 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000825501689 604223070 /nfs/dbraw/zinc/22/30/70/604223070.db2.gz DRLWVUCWGHZJRJ-UWVGGRQHSA-N -1 0 359.408 -0.702 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000825501694 604223090 /nfs/dbraw/zinc/22/30/90/604223090.db2.gz DRLWVUCWGHZJRJ-VHSXEESVSA-N -1 0 359.408 -0.702 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000825501696 604222792 /nfs/dbraw/zinc/22/27/92/604222792.db2.gz DRLWVUCWGHZJRJ-ZJUUUORDSA-N -1 0 359.408 -0.702 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000825501786 604220842 /nfs/dbraw/zinc/22/08/42/604220842.db2.gz FFHUICIFLHOCAV-JBLDHEPKSA-N -1 0 373.435 -0.409 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000825501787 604220863 /nfs/dbraw/zinc/22/08/63/604220863.db2.gz FFHUICIFLHOCAV-JFGNBEQYSA-N -1 0 373.435 -0.409 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000825501788 604220790 /nfs/dbraw/zinc/22/07/90/604220790.db2.gz FFHUICIFLHOCAV-NHCYSSNCSA-N -1 0 373.435 -0.409 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000825501789 604220836 /nfs/dbraw/zinc/22/08/36/604220836.db2.gz FFHUICIFLHOCAV-SCVCMEIPSA-N -1 0 373.435 -0.409 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000825501889 604214180 /nfs/dbraw/zinc/21/41/80/604214180.db2.gz FVBGIHXNKDECAC-AXFHLTTASA-N -1 0 373.435 -0.314 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000825501897 604214104 /nfs/dbraw/zinc/21/41/04/604214104.db2.gz FVBGIHXNKDECAC-DCAQKATOSA-N -1 0 373.435 -0.314 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1 ZINC000825501898 604214061 /nfs/dbraw/zinc/21/40/61/604214061.db2.gz FVBGIHXNKDECAC-MXWKQRLJSA-N -1 0 373.435 -0.314 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000825501899 604214412 /nfs/dbraw/zinc/21/44/12/604214412.db2.gz FVBGIHXNKDECAC-OUAUKWLOSA-N -1 0 373.435 -0.314 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCCN(C)C(=O)[O-] ZINC000825501936 605404384 /nfs/dbraw/zinc/40/43/84/605404384.db2.gz FZJJRBYSYUEFHQ-SECBINFHSA-N -1 0 373.387 -0.395 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCCN(C)C(=O)[O-] ZINC000825501947 605404760 /nfs/dbraw/zinc/40/47/60/605404760.db2.gz FZJJRBYSYUEFHQ-VIFPVBQESA-N -1 0 373.387 -0.395 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000825502032 604226047 /nfs/dbraw/zinc/22/60/47/604226047.db2.gz GRAXSNVZLAJNKB-NXEZZACHSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000825502035 604226015 /nfs/dbraw/zinc/22/60/15/604226015.db2.gz GRAXSNVZLAJNKB-UWVGGRQHSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000825502038 604225651 /nfs/dbraw/zinc/22/56/51/604225651.db2.gz GRAXSNVZLAJNKB-VHSXEESVSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000825502041 604225518 /nfs/dbraw/zinc/22/55/18/604225518.db2.gz GRAXSNVZLAJNKB-ZJUUUORDSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000825502099 604220813 /nfs/dbraw/zinc/22/08/13/604220813.db2.gz HEGTYJWIWZPJKL-KPPDAEKUSA-N -1 0 373.435 -0.218 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000825502133 604220719 /nfs/dbraw/zinc/22/07/19/604220719.db2.gz HEGTYJWIWZPJKL-WHXUTIOJSA-N -1 0 373.435 -0.218 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000825502277 604225610 /nfs/dbraw/zinc/22/56/10/604225610.db2.gz HWCZRDBXBXJRAB-GHMZBOCLSA-N -1 0 373.435 -0.312 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@H]1CN(C)C(=O)[O-] ZINC000825502281 604225824 /nfs/dbraw/zinc/22/58/24/604225824.db2.gz HWCZRDBXBXJRAB-MNOVXSKESA-N -1 0 373.435 -0.312 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@H]1CN(C)C(=O)[O-] ZINC000825502283 604225660 /nfs/dbraw/zinc/22/56/60/604225660.db2.gz HWCZRDBXBXJRAB-QWRGUYRKSA-N -1 0 373.435 -0.312 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000825502285 604225919 /nfs/dbraw/zinc/22/59/19/604225919.db2.gz HWCZRDBXBXJRAB-WDEREUQCSA-N -1 0 373.435 -0.312 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@](C)(CNC(=O)[O-])C1CC1 ZINC000825502330 604211737 /nfs/dbraw/zinc/21/17/37/604211737.db2.gz IFWWMRACZHSNBG-LKFCYVNXSA-N -1 0 373.435 -0.361 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@](C)(CNC(=O)[O-])C1CC1 ZINC000825502335 604211880 /nfs/dbraw/zinc/21/18/80/604211880.db2.gz IFWWMRACZHSNBG-OTYXRUKQSA-N -1 0 373.435 -0.361 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@](C)(CNC(=O)[O-])C1CC1 ZINC000825502337 604211710 /nfs/dbraw/zinc/21/17/10/604211710.db2.gz IFWWMRACZHSNBG-XPTSAGLGSA-N -1 0 373.435 -0.361 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@](C)(CNC(=O)[O-])C1CC1 ZINC000825502339 604211993 /nfs/dbraw/zinc/21/19/93/604211993.db2.gz IFWWMRACZHSNBG-YMTOWFKASA-N -1 0 373.435 -0.361 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000825502396 604231501 /nfs/dbraw/zinc/23/15/01/604231501.db2.gz JBBHYXBXFRZNJM-NXEZZACHSA-N -1 0 359.408 -0.702 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825502398 604231727 /nfs/dbraw/zinc/23/17/27/604231727.db2.gz JBBHYXBXFRZNJM-UWVGGRQHSA-N -1 0 359.408 -0.702 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000825502400 604231858 /nfs/dbraw/zinc/23/18/58/604231858.db2.gz JBBHYXBXFRZNJM-VHSXEESVSA-N -1 0 359.408 -0.702 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825502402 604231478 /nfs/dbraw/zinc/23/14/78/604231478.db2.gz JBBHYXBXFRZNJM-ZJUUUORDSA-N -1 0 359.408 -0.702 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000825502665 604188078 /nfs/dbraw/zinc/18/80/78/604188078.db2.gz JXDBMUACZBDQOS-GHMZBOCLSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825502668 604188210 /nfs/dbraw/zinc/18/82/10/604188210.db2.gz JXDBMUACZBDQOS-MNOVXSKESA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825502671 604188319 /nfs/dbraw/zinc/18/83/19/604188319.db2.gz JXDBMUACZBDQOS-QWRGUYRKSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000825502673 604188045 /nfs/dbraw/zinc/18/80/45/604188045.db2.gz JXDBMUACZBDQOS-WDEREUQCSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(C(=O)[O-])C[C@H]1C ZINC000825502693 604211923 /nfs/dbraw/zinc/21/19/23/604211923.db2.gz JZBTUWFYFJVWEX-NXEZZACHSA-N -1 0 359.408 -0.702 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000825502695 604211991 /nfs/dbraw/zinc/21/19/91/604211991.db2.gz JZBTUWFYFJVWEX-UWVGGRQHSA-N -1 0 359.408 -0.702 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000825502697 604211721 /nfs/dbraw/zinc/21/17/21/604211721.db2.gz JZBTUWFYFJVWEX-VHSXEESVSA-N -1 0 359.408 -0.702 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(C(=O)[O-])C[C@H]1C ZINC000825502699 604211956 /nfs/dbraw/zinc/21/19/56/604211956.db2.gz JZBTUWFYFJVWEX-ZJUUUORDSA-N -1 0 359.408 -0.702 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000825502723 604174150 /nfs/dbraw/zinc/17/41/50/604174150.db2.gz KBZKVNVMRFNJIQ-NXEZZACHSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@H](NC(=O)[O-])C1 ZINC000825502724 604174346 /nfs/dbraw/zinc/17/43/46/604174346.db2.gz KBZKVNVMRFNJIQ-UWVGGRQHSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000825502726 604174306 /nfs/dbraw/zinc/17/43/06/604174306.db2.gz KBZKVNVMRFNJIQ-VHSXEESVSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@H](NC(=O)[O-])C1 ZINC000825502730 604174510 /nfs/dbraw/zinc/17/45/10/604174510.db2.gz KBZKVNVMRFNJIQ-ZJUUUORDSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000825502867 604210215 /nfs/dbraw/zinc/21/02/15/604210215.db2.gz LXBOFRMFXQCMLD-GHMZBOCLSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000825502868 604210357 /nfs/dbraw/zinc/21/03/57/604210357.db2.gz LXBOFRMFXQCMLD-MNOVXSKESA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000825502869 604210480 /nfs/dbraw/zinc/21/04/80/604210480.db2.gz LXBOFRMFXQCMLD-QWRGUYRKSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000825502870 604210364 /nfs/dbraw/zinc/21/03/64/604210364.db2.gz LXBOFRMFXQCMLD-WDEREUQCSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000825502991 604189762 /nfs/dbraw/zinc/18/97/62/604189762.db2.gz NECNLOWEFKRZPG-GHMZBOCLSA-N -1 0 373.435 -0.312 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000825502993 604189689 /nfs/dbraw/zinc/18/96/89/604189689.db2.gz NECNLOWEFKRZPG-MNOVXSKESA-N -1 0 373.435 -0.312 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000825502994 604189970 /nfs/dbraw/zinc/18/99/70/604189970.db2.gz NECNLOWEFKRZPG-QWRGUYRKSA-N -1 0 373.435 -0.312 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000825502995 604189954 /nfs/dbraw/zinc/18/99/54/604189954.db2.gz NECNLOWEFKRZPG-WDEREUQCSA-N -1 0 373.435 -0.312 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1(CNC(=O)[O-])CCCC1 ZINC000825503001 604214228 /nfs/dbraw/zinc/21/42/28/604214228.db2.gz NESZNZBIDILDTG-JTQLQIEISA-N -1 0 373.435 -0.217 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1(CNC(=O)[O-])CCCC1 ZINC000825503003 604213987 /nfs/dbraw/zinc/21/39/87/604213987.db2.gz NESZNZBIDILDTG-SNVBAGLBSA-N -1 0 373.435 -0.217 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(NC(=O)[O-])CC1 ZINC000825503056 604169960 /nfs/dbraw/zinc/16/99/60/604169960.db2.gz NZTMOFPAAMADJS-SECBINFHSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(NC(=O)[O-])CC1 ZINC000825503057 604170077 /nfs/dbraw/zinc/17/00/77/604170077.db2.gz NZTMOFPAAMADJS-VIFPVBQESA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCCNC(=O)[O-] ZINC000825503194 604278603 /nfs/dbraw/zinc/27/86/03/604278603.db2.gz PQTGGUITIAXFIO-SECBINFHSA-N -1 0 372.403 -0.774 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCCNC(=O)[O-] ZINC000825503195 604278785 /nfs/dbraw/zinc/27/87/85/604278785.db2.gz PQTGGUITIAXFIO-VIFPVBQESA-N -1 0 372.403 -0.774 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000825503203 604189870 /nfs/dbraw/zinc/18/98/70/604189870.db2.gz PSOGVJMTNLFGNL-NXEZZACHSA-N -1 0 359.408 -0.797 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000825503205 604189928 /nfs/dbraw/zinc/18/99/28/604189928.db2.gz PSOGVJMTNLFGNL-UWVGGRQHSA-N -1 0 359.408 -0.797 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000825503207 604189943 /nfs/dbraw/zinc/18/99/43/604189943.db2.gz PSOGVJMTNLFGNL-VHSXEESVSA-N -1 0 359.408 -0.797 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000825503208 604189986 /nfs/dbraw/zinc/18/99/86/604189986.db2.gz PSOGVJMTNLFGNL-ZJUUUORDSA-N -1 0 359.408 -0.797 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCN(C(=O)[O-])C1CC1 ZINC000825503235 604199071 /nfs/dbraw/zinc/19/90/71/604199071.db2.gz QCKCOJBZEYNPPJ-SECBINFHSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCN(C(=O)[O-])C1CC1 ZINC000825503237 604199341 /nfs/dbraw/zinc/19/93/41/604199341.db2.gz QCKCOJBZEYNPPJ-VIFPVBQESA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(C(=O)[O-])CC1(C)C ZINC000825503267 604223108 /nfs/dbraw/zinc/22/31/08/604223108.db2.gz QKSFWMSTCHPPKH-JTQLQIEISA-N -1 0 373.435 -0.312 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(C(=O)[O-])CC1(C)C ZINC000825503269 604223350 /nfs/dbraw/zinc/22/33/50/604223350.db2.gz QKSFWMSTCHPPKH-SNVBAGLBSA-N -1 0 373.435 -0.312 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000825503424 604210408 /nfs/dbraw/zinc/21/04/08/604210408.db2.gz TVDCEOMZIKKTDO-JTQLQIEISA-N -1 0 373.435 -0.312 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000825503425 604210148 /nfs/dbraw/zinc/21/01/48/604210148.db2.gz TVDCEOMZIKKTDO-SNVBAGLBSA-N -1 0 373.435 -0.312 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000825503430 604206744 /nfs/dbraw/zinc/20/67/44/604206744.db2.gz TYACFDXPIORWKT-GHMZBOCLSA-N -1 0 373.435 -0.455 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000825503431 604206640 /nfs/dbraw/zinc/20/66/40/604206640.db2.gz TYACFDXPIORWKT-MNOVXSKESA-N -1 0 373.435 -0.455 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000825503432 604206549 /nfs/dbraw/zinc/20/65/49/604206549.db2.gz TYACFDXPIORWKT-QWRGUYRKSA-N -1 0 373.435 -0.455 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000825503433 604206605 /nfs/dbraw/zinc/20/66/05/604206605.db2.gz TYACFDXPIORWKT-WDEREUQCSA-N -1 0 373.435 -0.455 20 0 FBADRM CC(C)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)NC(=O)[O-] ZINC000825503436 604216553 /nfs/dbraw/zinc/21/65/53/604216553.db2.gz UDBVKKSGYVDLJH-GXSJLCMTSA-N -1 0 361.424 -0.505 20 0 FBADRM CC(C)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)NC(=O)[O-] ZINC000825503437 604216639 /nfs/dbraw/zinc/21/66/39/604216639.db2.gz UDBVKKSGYVDLJH-KOLCDFICSA-N -1 0 361.424 -0.505 20 0 FBADRM CC(C)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)NC(=O)[O-] ZINC000825503438 604216614 /nfs/dbraw/zinc/21/66/14/604216614.db2.gz UDBVKKSGYVDLJH-MWLCHTKSSA-N -1 0 361.424 -0.505 20 0 FBADRM CC(C)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)NC(=O)[O-] ZINC000825503439 604216628 /nfs/dbraw/zinc/21/66/28/604216628.db2.gz UDBVKKSGYVDLJH-ONGXEEELSA-N -1 0 361.424 -0.505 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000825503440 604222810 /nfs/dbraw/zinc/22/28/10/604222810.db2.gz UFRZDFFJXWAVKR-HOSYDEDBSA-N -1 0 373.435 -0.361 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000825503441 604223334 /nfs/dbraw/zinc/22/33/34/604223334.db2.gz UFRZDFFJXWAVKR-JBLDHEPKSA-N -1 0 373.435 -0.361 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000825503442 604223007 /nfs/dbraw/zinc/22/30/07/604223007.db2.gz UFRZDFFJXWAVKR-NHCYSSNCSA-N -1 0 373.435 -0.361 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000825503443 604222860 /nfs/dbraw/zinc/22/28/60/604222860.db2.gz UFRZDFFJXWAVKR-UMNHJUIQSA-N -1 0 373.435 -0.361 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCCC[C@@H]1CNC(=O)[O-] ZINC000825503454 604180482 /nfs/dbraw/zinc/18/04/82/604180482.db2.gz UIUVPTOMHDWSFE-GHMZBOCLSA-N -1 0 373.435 -0.264 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCCC[C@H]1CNC(=O)[O-] ZINC000825503455 604180659 /nfs/dbraw/zinc/18/06/59/604180659.db2.gz UIUVPTOMHDWSFE-MNOVXSKESA-N -1 0 373.435 -0.264 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCCC[C@H]1CNC(=O)[O-] ZINC000825503456 604180680 /nfs/dbraw/zinc/18/06/80/604180680.db2.gz UIUVPTOMHDWSFE-QWRGUYRKSA-N -1 0 373.435 -0.264 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCCC[C@@H]1CNC(=O)[O-] ZINC000825503457 604180705 /nfs/dbraw/zinc/18/07/05/604180705.db2.gz UIUVPTOMHDWSFE-WDEREUQCSA-N -1 0 373.435 -0.264 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000825503527 604228034 /nfs/dbraw/zinc/22/80/34/604228034.db2.gz VQUIKSQWMBBGDQ-NXEZZACHSA-N -1 0 359.408 -0.702 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000825503530 604228525 /nfs/dbraw/zinc/22/85/25/604228525.db2.gz VQUIKSQWMBBGDQ-UWVGGRQHSA-N -1 0 359.408 -0.702 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000825503532 604228535 /nfs/dbraw/zinc/22/85/35/604228535.db2.gz VQUIKSQWMBBGDQ-VHSXEESVSA-N -1 0 359.408 -0.702 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000825503533 604228076 /nfs/dbraw/zinc/22/80/76/604228076.db2.gz VQUIKSQWMBBGDQ-ZJUUUORDSA-N -1 0 359.408 -0.702 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCN(C)C(=O)[O-] ZINC000825503541 604277527 /nfs/dbraw/zinc/27/75/27/604277527.db2.gz VRXITOWPZLMFIK-SECBINFHSA-N -1 0 372.403 -0.822 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCN(C)C(=O)[O-] ZINC000825503544 604277614 /nfs/dbraw/zinc/27/76/14/604277614.db2.gz VRXITOWPZLMFIK-VIFPVBQESA-N -1 0 372.403 -0.822 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CCN(C(=O)[O-])CC1 ZINC000825503599 604169768 /nfs/dbraw/zinc/16/97/68/604169768.db2.gz WAGBUZBVZNCDHF-SECBINFHSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CCN(C(=O)[O-])CC1 ZINC000825503600 604169719 /nfs/dbraw/zinc/16/97/19/604169719.db2.gz WAGBUZBVZNCDHF-VIFPVBQESA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)C1CCN(C(=O)[O-])CC1 ZINC000825503784 604165854 /nfs/dbraw/zinc/16/58/54/604165854.db2.gz XLIUTNAOWVDMIH-JTQLQIEISA-N -1 0 373.435 -0.312 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)C1CCN(C(=O)[O-])CC1 ZINC000825503786 604165712 /nfs/dbraw/zinc/16/57/12/604165712.db2.gz XLIUTNAOWVDMIH-SNVBAGLBSA-N -1 0 373.435 -0.312 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCCN(C(=O)[O-])C1CC1 ZINC000825503811 603459583 /nfs/dbraw/zinc/45/95/83/603459583.db2.gz XLPOXRVZOSANBS-JTQLQIEISA-N -1 0 373.435 -0.264 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCCN(C(=O)[O-])C1CC1 ZINC000825503813 603459801 /nfs/dbraw/zinc/45/98/01/603459801.db2.gz XLPOXRVZOSANBS-SNVBAGLBSA-N -1 0 373.435 -0.264 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCCN(C(=O)[O-])CC1 ZINC000825503958 604174137 /nfs/dbraw/zinc/17/41/37/604174137.db2.gz ZRWDUHGIJWZCSL-JTQLQIEISA-N -1 0 359.408 -0.701 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCCN(C(=O)[O-])CC1 ZINC000825503960 604174240 /nfs/dbraw/zinc/17/42/40/604174240.db2.gz ZRWDUHGIJWZCSL-SNVBAGLBSA-N -1 0 359.408 -0.701 20 0 FBADRM CCOC(=O)CC[C@@H](C)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000825506081 608018774 /nfs/dbraw/zinc/01/87/74/608018774.db2.gz DJLYIAGPWYSIIQ-MRVPVSSYSA-N -1 0 351.367 -0.592 20 0 FBADRM CCOC(=O)CC[C@H](C)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000825506082 608018921 /nfs/dbraw/zinc/01/89/21/608018921.db2.gz DJLYIAGPWYSIIQ-QMMMGPOBSA-N -1 0 351.367 -0.592 20 0 FBADRM CCOC(=O)C[C@@H](O)Cn1nc(CC)c(CC)c(-c2nnn[n-]2)c1=O ZINC000825506522 608330045 /nfs/dbraw/zinc/33/00/45/608330045.db2.gz LFLVXXTWUJIWAN-SECBINFHSA-N -1 0 350.379 -0.138 20 0 FBADRM CCOC(=O)C[C@H](O)Cn1nc(CC)c(CC)c(-c2nnn[n-]2)c1=O ZINC000825506524 608330184 /nfs/dbraw/zinc/33/01/84/608330184.db2.gz LFLVXXTWUJIWAN-VIFPVBQESA-N -1 0 350.379 -0.138 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825507637 603585843 /nfs/dbraw/zinc/58/58/43/603585843.db2.gz DYRZXTFNIASCTI-NXEZZACHSA-N -1 0 360.392 -0.228 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H]1CCCN(C(=O)[O-])C1 ZINC000825507641 603585534 /nfs/dbraw/zinc/58/55/34/603585534.db2.gz DYRZXTFNIASCTI-UWVGGRQHSA-N -1 0 360.392 -0.228 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825507643 603585519 /nfs/dbraw/zinc/58/55/19/603585519.db2.gz DYRZXTFNIASCTI-VHSXEESVSA-N -1 0 360.392 -0.228 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H]1CCCN(C(=O)[O-])C1 ZINC000825507646 603585659 /nfs/dbraw/zinc/58/56/59/603585659.db2.gz DYRZXTFNIASCTI-ZJUUUORDSA-N -1 0 360.392 -0.228 20 0 FBADRM C[C@](O)(CNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)c1ccco1 ZINC000825508193 603739979 /nfs/dbraw/zinc/73/99/79/603739979.db2.gz HJZRSCMFSRXIQD-HNNXBMFYSA-N -1 0 354.363 -0.392 20 0 FBADRM C[C@@](O)(CNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)c1ccco1 ZINC000825508198 603739952 /nfs/dbraw/zinc/73/99/52/603739952.db2.gz HJZRSCMFSRXIQD-OAHLLOKOSA-N -1 0 354.363 -0.392 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OC[C@H]1CCCN1C(=O)[O-] ZINC000825508235 603596086 /nfs/dbraw/zinc/59/60/86/603596086.db2.gz HSTGQSPKSFZVHK-NXEZZACHSA-N -1 0 360.392 -0.228 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OC[C@@H]1CCCN1C(=O)[O-] ZINC000825508237 603596096 /nfs/dbraw/zinc/59/60/96/603596096.db2.gz HSTGQSPKSFZVHK-UWVGGRQHSA-N -1 0 360.392 -0.228 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OC[C@H]1CCCN1C(=O)[O-] ZINC000825508241 603595998 /nfs/dbraw/zinc/59/59/98/603595998.db2.gz HSTGQSPKSFZVHK-VHSXEESVSA-N -1 0 360.392 -0.228 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OC[C@@H]1CCCN1C(=O)[O-] ZINC000825508244 603595980 /nfs/dbraw/zinc/59/59/80/603595980.db2.gz HSTGQSPKSFZVHK-ZJUUUORDSA-N -1 0 360.392 -0.228 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OC[C@@H]1CCN(C(=O)[O-])C1 ZINC000825508674 603585950 /nfs/dbraw/zinc/58/59/50/603585950.db2.gz JIEYQWHAVHLWLH-NXEZZACHSA-N -1 0 360.392 -0.370 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OC[C@H]1CCN(C(=O)[O-])C1 ZINC000825508675 603585551 /nfs/dbraw/zinc/58/55/51/603585551.db2.gz JIEYQWHAVHLWLH-UWVGGRQHSA-N -1 0 360.392 -0.370 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OC[C@@H]1CCN(C(=O)[O-])C1 ZINC000825508676 603585805 /nfs/dbraw/zinc/58/58/05/603585805.db2.gz JIEYQWHAVHLWLH-VHSXEESVSA-N -1 0 360.392 -0.370 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OC[C@H]1CCN(C(=O)[O-])C1 ZINC000825508677 603585724 /nfs/dbraw/zinc/58/57/24/603585724.db2.gz JIEYQWHAVHLWLH-ZJUUUORDSA-N -1 0 360.392 -0.370 20 0 FBADRM C[C@H](NS(C)(=O)=O)C(=O)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000825510415 604078962 /nfs/dbraw/zinc/07/89/62/604078962.db2.gz YDJKFMURYLISRN-JTQLQIEISA-N -1 0 351.425 -0.411 20 0 FBADRM C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000825510416 604079065 /nfs/dbraw/zinc/07/90/65/604079065.db2.gz YDJKFMURYLISRN-SNVBAGLBSA-N -1 0 351.425 -0.411 20 0 FBADRM CCOC(=O)CN(CC(C)C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000825511809 608292567 /nfs/dbraw/zinc/29/25/67/608292567.db2.gz GMDIPTAVZDKGAN-UHFFFAOYSA-N -1 0 365.394 -0.710 20 0 FBADRM C[C@@H](O)CN(C)C(=O)[C@@]1(CC(=O)N(C)C[C@H](C)O)CCN(C(=O)[O-])C1 ZINC000825520938 604231472 /nfs/dbraw/zinc/23/14/72/604231472.db2.gz IZHKFHMJCNNTCB-HWWQOWPSSA-N -1 0 359.423 -0.575 20 0 FBADRM C[C@H](O)CN(C)C(=O)C[C@@]1(C(=O)N(C)C[C@H](C)O)CCN(C(=O)[O-])C1 ZINC000825520939 604231895 /nfs/dbraw/zinc/23/18/95/604231895.db2.gz IZHKFHMJCNNTCB-MKBNYLNASA-N -1 0 359.423 -0.575 20 0 FBADRM C[C@H](O)CN(C)C(=O)C[C@]1(C(=O)N(C)C[C@H](C)O)CCN(C(=O)[O-])C1 ZINC000825520940 604231485 /nfs/dbraw/zinc/23/14/85/604231485.db2.gz IZHKFHMJCNNTCB-MQIPJXDCSA-N -1 0 359.423 -0.575 20 0 FBADRM C[C@@H](O)CN(C)C(=O)[C@]1(CC(=O)N(C)C[C@H](C)O)CCN(C(=O)[O-])C1 ZINC000825520941 604231386 /nfs/dbraw/zinc/23/13/86/604231386.db2.gz IZHKFHMJCNNTCB-OZVIIMIRSA-N -1 0 359.423 -0.575 20 0 FBADRM C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(CNC(=O)[O-])c2)CC1 ZINC000825527892 603758378 /nfs/dbraw/zinc/75/83/78/603758378.db2.gz HPKAANYYNUFNPI-GFCCVEGCSA-N -1 0 364.402 -0.082 20 0 FBADRM C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(CNC(=O)[O-])c2)CC1 ZINC000825527894 603758291 /nfs/dbraw/zinc/75/82/91/603758291.db2.gz HPKAANYYNUFNPI-LBPRGKRZSA-N -1 0 364.402 -0.082 20 0 FBADRM C[C@@H](O)c1cn(CC(=O)N2CCC(OCCCNC(=O)[O-])CC2)nn1 ZINC000825527903 604279933 /nfs/dbraw/zinc/27/99/33/604279933.db2.gz HSKQJMWENZTJBJ-LLVKDONJSA-N -1 0 355.395 -0.003 20 0 FBADRM C[C@H](O)c1cn(CC(=O)N2CCC(OCCCNC(=O)[O-])CC2)nn1 ZINC000825527906 604279784 /nfs/dbraw/zinc/27/97/84/604279784.db2.gz HSKQJMWENZTJBJ-NSHDSACASA-N -1 0 355.395 -0.003 20 0 FBADRM C[C@H](O)CN1CCN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)C[C@@H]1C ZINC000825528457 603845437 /nfs/dbraw/zinc/84/54/37/603845437.db2.gz NRTZOCVDUXOMDU-KBPBESRZSA-N -1 0 356.467 -0.026 20 0 FBADRM C[C@H](O)CN1CCN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)C[C@H]1C ZINC000825528458 603845388 /nfs/dbraw/zinc/84/53/88/603845388.db2.gz NRTZOCVDUXOMDU-KGLIPLIRSA-N -1 0 356.467 -0.026 20 0 FBADRM C[C@@H](O)CN1CCN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)C[C@@H]1C ZINC000825528459 603845519 /nfs/dbraw/zinc/84/55/19/603845519.db2.gz NRTZOCVDUXOMDU-UONOGXRCSA-N -1 0 356.467 -0.026 20 0 FBADRM C[C@@H](O)CN1CCN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)C[C@H]1C ZINC000825528460 603845398 /nfs/dbraw/zinc/84/53/98/603845398.db2.gz NRTZOCVDUXOMDU-ZIAGYGMSSA-N -1 0 356.467 -0.026 20 0 FBADRM C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)CC1 ZINC000825528645 603758410 /nfs/dbraw/zinc/75/84/10/603758410.db2.gz QSEOYWBSZLMUPM-JTQLQIEISA-N -1 0 351.363 -0.365 20 0 FBADRM C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)CC1 ZINC000825528646 603758440 /nfs/dbraw/zinc/75/84/40/603758440.db2.gz QSEOYWBSZLMUPM-SNVBAGLBSA-N -1 0 351.363 -0.365 20 0 FBADRM C[C@@H](OC(=O)C(C)(C)CNC(=O)[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000825537730 661104941 /nfs/dbraw/zinc/10/49/41/661104941.db2.gz ZLWWENUDEKBMPJ-NXEZZACHSA-N -1 0 364.420 -0.143 20 0 FBADRM C[C@H](OC(=O)C(C)(C)CNC(=O)[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000825537736 661105121 /nfs/dbraw/zinc/10/51/21/661105121.db2.gz ZLWWENUDEKBMPJ-UWVGGRQHSA-N -1 0 364.420 -0.143 20 0 FBADRM C[C@H](OC(=O)C(C)(C)CNC(=O)[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000825537738 661105137 /nfs/dbraw/zinc/10/51/37/661105137.db2.gz ZLWWENUDEKBMPJ-VHSXEESVSA-N -1 0 364.420 -0.143 20 0 FBADRM C[C@@H](OC(=O)C(C)(C)CNC(=O)[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000825537740 661104929 /nfs/dbraw/zinc/10/49/29/661104929.db2.gz ZLWWENUDEKBMPJ-ZJUUUORDSA-N -1 0 364.420 -0.143 20 0 FBADRM C[C@H](OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C(=O)N(C)CC(=O)NC1CC1 ZINC000825543650 603784958 /nfs/dbraw/zinc/78/49/58/603784958.db2.gz GDXNQCYNKSFZSX-BJOHPYRUSA-N -1 0 359.354 -0.253 20 0 FBADRM C[C@@H](OC(=O)[C@]1(F)CCN(C(=O)[O-])C1)C(=O)N(C)CC(=O)NC1CC1 ZINC000825543651 603785147 /nfs/dbraw/zinc/78/51/47/603785147.db2.gz GDXNQCYNKSFZSX-PSLIRLAXSA-N -1 0 359.354 -0.253 20 0 FBADRM C[C@@H](OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C(=O)N(C)CC(=O)NC1CC1 ZINC000825543652 603785076 /nfs/dbraw/zinc/78/50/76/603785076.db2.gz GDXNQCYNKSFZSX-RFAUZJTJSA-N -1 0 359.354 -0.253 20 0 FBADRM C[C@H](OC(=O)[C@]1(F)CCN(C(=O)[O-])C1)C(=O)N(C)CC(=O)NC1CC1 ZINC000825543653 603784784 /nfs/dbraw/zinc/78/47/84/603784784.db2.gz GDXNQCYNKSFZSX-VFZGTOFNSA-N -1 0 359.354 -0.253 20 0 FBADRM C[C@@H](OC(=O)C1(NC(=O)[O-])CC1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000825544749 604761030 /nfs/dbraw/zinc/76/10/30/604761030.db2.gz OLLNMXFJQQFPTN-LLVKDONJSA-N -1 0 363.374 -0.143 20 0 FBADRM C[C@H](OC(=O)C1(NC(=O)[O-])CC1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000825544750 604761324 /nfs/dbraw/zinc/76/13/24/604761324.db2.gz OLLNMXFJQQFPTN-NSHDSACASA-N -1 0 363.374 -0.143 20 0 FBADRM C[C@H](OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000825545143 603780801 /nfs/dbraw/zinc/78/08/01/603780801.db2.gz QFHGFBLHYKGMPM-AMJWSMQMSA-N -1 0 359.354 -0.266 20 0 FBADRM C[C@H](OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000825545144 603780759 /nfs/dbraw/zinc/78/07/59/603780759.db2.gz QFHGFBLHYKGMPM-FEUHOPSXSA-N -1 0 359.354 -0.266 20 0 FBADRM C[C@H](OC(=O)[C@]1(F)CCN(C(=O)[O-])C1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000825545145 603780794 /nfs/dbraw/zinc/78/07/94/603780794.db2.gz QFHGFBLHYKGMPM-WMFXKJRFSA-N -1 0 359.354 -0.266 20 0 FBADRM C[C@H](OC(=O)[C@]1(F)CCN(C(=O)[O-])C1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000825545146 603780686 /nfs/dbraw/zinc/78/06/86/603780686.db2.gz QFHGFBLHYKGMPM-YHAQOWFVSA-N -1 0 359.354 -0.266 20 0 FBADRM C[C@H](OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C(=O)N1CCC(C(N)=O)CC1 ZINC000825545657 603785129 /nfs/dbraw/zinc/78/51/29/603785129.db2.gz SMVWQMFKCIQMJU-BJOHPYRUSA-N -1 0 359.354 -0.266 20 0 FBADRM C[C@@H](OC(=O)[C@]1(F)CCN(C(=O)[O-])C1)C(=O)N1CCC(C(N)=O)CC1 ZINC000825545659 603785011 /nfs/dbraw/zinc/78/50/11/603785011.db2.gz SMVWQMFKCIQMJU-PSLIRLAXSA-N -1 0 359.354 -0.266 20 0 FBADRM C[C@@H](OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C(=O)N1CCC(C(N)=O)CC1 ZINC000825545661 603784700 /nfs/dbraw/zinc/78/47/00/603784700.db2.gz SMVWQMFKCIQMJU-RFAUZJTJSA-N -1 0 359.354 -0.266 20 0 FBADRM C[C@H](OC(=O)[C@]1(F)CCN(C(=O)[O-])C1)C(=O)N1CCC(C(N)=O)CC1 ZINC000825545663 603784837 /nfs/dbraw/zinc/78/48/37/603784837.db2.gz SMVWQMFKCIQMJU-VFZGTOFNSA-N -1 0 359.354 -0.266 20 0 FBADRM C[C@H](OC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])C(=O)Nc1sccc1C(N)=O ZINC000825550699 603826107 /nfs/dbraw/zinc/82/61/07/603826107.db2.gz BLLHDORQXBBMIL-ACLDMZEESA-N -1 0 371.371 -0.170 20 0 FBADRM C[C@H](OC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])C(=O)Nc1sccc1C(N)=O ZINC000825550700 603826138 /nfs/dbraw/zinc/82/61/38/603826138.db2.gz BLLHDORQXBBMIL-LKEWCRSYSA-N -1 0 371.371 -0.170 20 0 FBADRM C[C@H](OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])C(=O)Nc1sccc1C(N)=O ZINC000825550701 603826206 /nfs/dbraw/zinc/82/62/06/603826206.db2.gz BLLHDORQXBBMIL-OOZYFLPDSA-N -1 0 371.371 -0.170 20 0 FBADRM C[C@H](OC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])C(=O)Nc1sccc1C(N)=O ZINC000825550702 603826014 /nfs/dbraw/zinc/82/60/14/603826014.db2.gz BLLHDORQXBBMIL-ZKWXMUAHSA-N -1 0 371.371 -0.170 20 0 FBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1n[nH]cc1-c1nn[nH]n1 ZINC000825552662 608305171 /nfs/dbraw/zinc/30/51/71/608305171.db2.gz CMXDCXVQOITWLB-UHFFFAOYSA-N -1 0 367.351 -0.401 20 0 FBADRM C[C@H](OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])C(=O)Nc1ccc(C(N)=O)cc1 ZINC000825552844 603829755 /nfs/dbraw/zinc/82/97/55/603829755.db2.gz RUZAGRKEBXORFD-AXTRIDKLSA-N -1 0 365.342 -0.231 20 0 FBADRM C[C@H](OC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])C(=O)Nc1ccc(C(N)=O)cc1 ZINC000825552845 603829948 /nfs/dbraw/zinc/82/99/48/603829948.db2.gz RUZAGRKEBXORFD-KPXOXKRLSA-N -1 0 365.342 -0.231 20 0 FBADRM C[C@H](OC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])C(=O)Nc1ccc(C(N)=O)cc1 ZINC000825552846 603829803 /nfs/dbraw/zinc/82/98/03/603829803.db2.gz RUZAGRKEBXORFD-UWJYBYFXSA-N -1 0 365.342 -0.231 20 0 FBADRM C[C@H](OC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])C(=O)Nc1ccc(C(N)=O)cc1 ZINC000825552847 603829923 /nfs/dbraw/zinc/82/99/23/603829923.db2.gz RUZAGRKEBXORFD-XXILOJSOSA-N -1 0 365.342 -0.231 20 0 FBADRM C[C@H](OC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])C(=O)Nc1ncnc2[nH]cnc21 ZINC000825552909 603828439 /nfs/dbraw/zinc/82/84/39/603828439.db2.gz SUZKPQGXQSUWHI-BIIVOSGPSA-N -1 0 364.318 -0.664 20 0 FBADRM C[C@H](OC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])C(=O)Nc1ncnc2[nH]cnc21 ZINC000825552910 603828574 /nfs/dbraw/zinc/82/85/74/603828574.db2.gz SUZKPQGXQSUWHI-FXQIFTODSA-N -1 0 364.318 -0.664 20 0 FBADRM C[C@H](OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])C(=O)Nc1ncnc2[nH]cnc21 ZINC000825552912 603828591 /nfs/dbraw/zinc/82/85/91/603828591.db2.gz SUZKPQGXQSUWHI-RNJXMRFFSA-N -1 0 364.318 -0.664 20 0 FBADRM C[C@H](OC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])C(=O)Nc1ncnc2[nH]cnc21 ZINC000825552914 603828506 /nfs/dbraw/zinc/82/85/06/603828506.db2.gz SUZKPQGXQSUWHI-XLPZGREQSA-N -1 0 364.318 -0.664 20 0 FBADRM C[C@H](OC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])C(=O)NC(=O)NCC(F)(F)F ZINC000825553556 603828442 /nfs/dbraw/zinc/82/84/42/603828442.db2.gz YKUWNHMGBSGZMG-ACZMJKKPSA-N -1 0 371.268 -0.581 20 0 FBADRM C[C@H](OC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])C(=O)NC(=O)NCC(F)(F)F ZINC000825553557 603828397 /nfs/dbraw/zinc/82/83/97/603828397.db2.gz YKUWNHMGBSGZMG-LYFYHCNISA-N -1 0 371.268 -0.581 20 0 FBADRM C[C@H](OC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])C(=O)NC(=O)NCC(F)(F)F ZINC000825553558 603828461 /nfs/dbraw/zinc/82/84/61/603828461.db2.gz YKUWNHMGBSGZMG-RRKCRQDMSA-N -1 0 371.268 -0.581 20 0 FBADRM C[C@H](OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])C(=O)NC(=O)NCC(F)(F)F ZINC000825553559 603828521 /nfs/dbraw/zinc/82/85/21/603828521.db2.gz YKUWNHMGBSGZMG-XVMARJQXSA-N -1 0 371.268 -0.581 20 0 FBADRM C[C@H](OC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000825558833 605205686 /nfs/dbraw/zinc/20/56/86/605205686.db2.gz AKHHNZSCAWESHJ-AXFHLTTASA-N -1 0 357.363 -0.979 20 0 FBADRM C[C@H](OC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000825558834 605205649 /nfs/dbraw/zinc/20/56/49/605205649.db2.gz AKHHNZSCAWESHJ-DCAQKATOSA-N -1 0 357.363 -0.979 20 0 FBADRM C[C@H](OC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000825558835 605205456 /nfs/dbraw/zinc/20/54/56/605205456.db2.gz AKHHNZSCAWESHJ-GARJFASQSA-N -1 0 357.363 -0.979 20 0 FBADRM C[C@H](OC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000825558836 605205405 /nfs/dbraw/zinc/20/54/05/605205405.db2.gz AKHHNZSCAWESHJ-HBNTYKKESA-N -1 0 357.363 -0.979 20 0 FBADRM C[C@H](OC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(=O)N(C)CC(=O)NC1CC1 ZINC000825560737 605205634 /nfs/dbraw/zinc/20/56/34/605205634.db2.gz JXCAZQSLAIRYDJ-GXSJLCMTSA-N -1 0 357.363 -0.966 20 0 FBADRM C[C@@H](OC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(=O)N(C)CC(=O)NC1CC1 ZINC000825560738 605205476 /nfs/dbraw/zinc/20/54/76/605205476.db2.gz JXCAZQSLAIRYDJ-KOLCDFICSA-N -1 0 357.363 -0.966 20 0 FBADRM C[C@@H](OC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(=O)N(C)CC(=O)NC1CC1 ZINC000825560739 605205516 /nfs/dbraw/zinc/20/55/16/605205516.db2.gz JXCAZQSLAIRYDJ-MWLCHTKSSA-N -1 0 357.363 -0.966 20 0 FBADRM C[C@H](OC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(=O)N(C)CC(=O)NC1CC1 ZINC000825560740 605205631 /nfs/dbraw/zinc/20/56/31/605205631.db2.gz JXCAZQSLAIRYDJ-ONGXEEELSA-N -1 0 357.363 -0.966 20 0 FBADRM C[C@H](OC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCC(C(N)=O)CC1 ZINC000825561328 605214979 /nfs/dbraw/zinc/21/49/79/605214979.db2.gz NWCSKQNNIIQWCA-GXSJLCMTSA-N -1 0 357.363 -0.979 20 0 FBADRM C[C@@H](OC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCC(C(N)=O)CC1 ZINC000825561329 605215060 /nfs/dbraw/zinc/21/50/60/605215060.db2.gz NWCSKQNNIIQWCA-KOLCDFICSA-N -1 0 357.363 -0.979 20 0 FBADRM C[C@@H](OC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCC(C(N)=O)CC1 ZINC000825561330 605215116 /nfs/dbraw/zinc/21/51/16/605215116.db2.gz NWCSKQNNIIQWCA-MWLCHTKSSA-N -1 0 357.363 -0.979 20 0 FBADRM C[C@H](OC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCC(C(N)=O)CC1 ZINC000825561331 605215006 /nfs/dbraw/zinc/21/50/06/605215006.db2.gz NWCSKQNNIIQWCA-ONGXEEELSA-N -1 0 357.363 -0.979 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1n[nH]cc1-c1nn[nH]n1 ZINC000825564829 608306451 /nfs/dbraw/zinc/30/64/51/608306451.db2.gz HBJIXNGSDGRKAY-UHFFFAOYSA-N -1 0 353.324 -0.710 20 0 FBADRM CCOC(=O)c1cnc(C)c(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000825565796 608501801 /nfs/dbraw/zinc/50/18/01/608501801.db2.gz YNUDCXZPYYGFGI-UHFFFAOYSA-N -1 0 357.334 -0.023 20 0 FBADRM C[C@H](OC(=O)[C@@H]1COCCN1C(=O)[O-])C(=O)NC(=O)NCC(F)(F)F ZINC000825569062 603899596 /nfs/dbraw/zinc/89/95/96/603899596.db2.gz BPYPOHHVFJKTLI-BQBZGAKWSA-N -1 0 371.268 -0.315 20 0 FBADRM C[C@H](OC(=O)[C@H]1COCCN1C(=O)[O-])C(=O)NC(=O)NCC(F)(F)F ZINC000825569063 603899360 /nfs/dbraw/zinc/89/93/60/603899360.db2.gz BPYPOHHVFJKTLI-NKWVEPMBSA-N -1 0 371.268 -0.315 20 0 FBADRM C[C@@H](OC(=O)[C@H]1COCCN1C(=O)[O-])C(=O)NC(=O)NCC(F)(F)F ZINC000825569065 603899455 /nfs/dbraw/zinc/89/94/55/603899455.db2.gz BPYPOHHVFJKTLI-RNFRBKRXSA-N -1 0 371.268 -0.315 20 0 FBADRM C[C@@H](OC(=O)[C@@H]1COCCN1C(=O)[O-])C(=O)NC(=O)NCC(F)(F)F ZINC000825569066 603899632 /nfs/dbraw/zinc/89/96/32/603899632.db2.gz BPYPOHHVFJKTLI-RQJHMYQMSA-N -1 0 371.268 -0.315 20 0 FBADRM C[C@@H](OC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000825569146 605207371 /nfs/dbraw/zinc/20/73/71/605207371.db2.gz CDXIJQSAJPSSNO-HTQZYQBOSA-N -1 0 364.318 -0.398 20 0 FBADRM C[C@H](OC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000825569148 605207848 /nfs/dbraw/zinc/20/78/48/605207848.db2.gz CDXIJQSAJPSSNO-JGVFFNPUSA-N -1 0 364.318 -0.398 20 0 FBADRM C[C@@H](OC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000825569149 605207775 /nfs/dbraw/zinc/20/77/75/605207775.db2.gz CDXIJQSAJPSSNO-SFYZADRCSA-N -1 0 364.318 -0.398 20 0 FBADRM C[C@H](OC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000825569153 605207676 /nfs/dbraw/zinc/20/76/76/605207676.db2.gz CDXIJQSAJPSSNO-YUMQZZPRSA-N -1 0 364.318 -0.398 20 0 FBADRM C[C@H](OC(=O)[C@@H]1COCCN1C(=O)[O-])C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000825570624 603903377 /nfs/dbraw/zinc/90/33/77/603903377.db2.gz KODREEYXSIDLSL-AXFHLTTASA-N -1 0 357.363 -0.979 20 0 FBADRM C[C@H](OC(=O)[C@@H]1COCCN1C(=O)[O-])C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000825570626 603902987 /nfs/dbraw/zinc/90/29/87/603902987.db2.gz KODREEYXSIDLSL-DCAQKATOSA-N -1 0 357.363 -0.979 20 0 FBADRM C[C@H](OC(=O)[C@H]1COCCN1C(=O)[O-])C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000825570627 603903211 /nfs/dbraw/zinc/90/32/11/603903211.db2.gz KODREEYXSIDLSL-GARJFASQSA-N -1 0 357.363 -0.979 20 0 FBADRM C[C@H](OC(=O)[C@H]1COCCN1C(=O)[O-])C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000825570628 603902963 /nfs/dbraw/zinc/90/29/63/603902963.db2.gz KODREEYXSIDLSL-HBNTYKKESA-N -1 0 357.363 -0.979 20 0 FBADRM C[C@H](OC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(=O)NC(=O)NCC(F)(F)F ZINC000825571717 605217400 /nfs/dbraw/zinc/21/74/00/605217400.db2.gz PTPYKAUBNHNGJG-BQBZGAKWSA-N -1 0 371.268 -0.315 20 0 FBADRM C[C@H](OC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(=O)NC(=O)NCC(F)(F)F ZINC000825571720 605217190 /nfs/dbraw/zinc/21/71/90/605217190.db2.gz PTPYKAUBNHNGJG-NKWVEPMBSA-N -1 0 371.268 -0.315 20 0 FBADRM C[C@@H](OC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(=O)NC(=O)NCC(F)(F)F ZINC000825571721 605217226 /nfs/dbraw/zinc/21/72/26/605217226.db2.gz PTPYKAUBNHNGJG-RNFRBKRXSA-N -1 0 371.268 -0.315 20 0 FBADRM C[C@@H](OC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(=O)NC(=O)NCC(F)(F)F ZINC000825571723 605217074 /nfs/dbraw/zinc/21/70/74/605217074.db2.gz PTPYKAUBNHNGJG-RQJHMYQMSA-N -1 0 371.268 -0.315 20 0 FBADRM C[C@H](OC(=O)[C@H]1COCCN1C(=O)[O-])C(=O)N(C)CC(=O)NC1CC1 ZINC000825572632 603901800 /nfs/dbraw/zinc/90/18/00/603901800.db2.gz WGSQKMJKHRSDCZ-GXSJLCMTSA-N -1 0 357.363 -0.966 20 0 FBADRM C[C@@H](OC(=O)[C@@H]1COCCN1C(=O)[O-])C(=O)N(C)CC(=O)NC1CC1 ZINC000825572633 603901692 /nfs/dbraw/zinc/90/16/92/603901692.db2.gz WGSQKMJKHRSDCZ-KOLCDFICSA-N -1 0 357.363 -0.966 20 0 FBADRM C[C@@H](OC(=O)[C@H]1COCCN1C(=O)[O-])C(=O)N(C)CC(=O)NC1CC1 ZINC000825572635 603901808 /nfs/dbraw/zinc/90/18/08/603901808.db2.gz WGSQKMJKHRSDCZ-MWLCHTKSSA-N -1 0 357.363 -0.966 20 0 FBADRM C[C@H](OC(=O)[C@@H]1COCCN1C(=O)[O-])C(=O)N(C)CC(=O)NC1CC1 ZINC000825572637 603901686 /nfs/dbraw/zinc/90/16/86/603901686.db2.gz WGSQKMJKHRSDCZ-ONGXEEELSA-N -1 0 357.363 -0.966 20 0 FBADRM C[C@H](OC(=O)[C@H]1COCCN1C(=O)[O-])C(=O)N1CCC(C(N)=O)CC1 ZINC000825573213 603903361 /nfs/dbraw/zinc/90/33/61/603903361.db2.gz YQFBBHHPETYUDB-GXSJLCMTSA-N -1 0 357.363 -0.979 20 0 FBADRM C[C@@H](OC(=O)[C@@H]1COCCN1C(=O)[O-])C(=O)N1CCC(C(N)=O)CC1 ZINC000825573215 603903180 /nfs/dbraw/zinc/90/31/80/603903180.db2.gz YQFBBHHPETYUDB-KOLCDFICSA-N -1 0 357.363 -0.979 20 0 FBADRM C[C@@H](OC(=O)[C@H]1COCCN1C(=O)[O-])C(=O)N1CCC(C(N)=O)CC1 ZINC000825573217 603903452 /nfs/dbraw/zinc/90/34/52/603903452.db2.gz YQFBBHHPETYUDB-MWLCHTKSSA-N -1 0 357.363 -0.979 20 0 FBADRM C[C@H](OC(=O)[C@@H]1COCCN1C(=O)[O-])C(=O)N1CCC(C(N)=O)CC1 ZINC000825573219 603903425 /nfs/dbraw/zinc/90/34/25/603903425.db2.gz YQFBBHHPETYUDB-ONGXEEELSA-N -1 0 357.363 -0.979 20 0 FBADRM C[C@H](OC(=O)CC1CN(C(=O)[O-])C1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000825580640 604089472 /nfs/dbraw/zinc/08/94/72/604089472.db2.gz VGWPRCPFQGUQFW-GXSJLCMTSA-N -1 0 362.404 -0.437 20 0 FBADRM C[C@@H](OC(=O)CC1CN(C(=O)[O-])C1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000825580642 604089234 /nfs/dbraw/zinc/08/92/34/604089234.db2.gz VGWPRCPFQGUQFW-KOLCDFICSA-N -1 0 362.404 -0.437 20 0 FBADRM C[C@@H](OC(=O)CC1CN(C(=O)[O-])C1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000825580644 604089251 /nfs/dbraw/zinc/08/92/51/604089251.db2.gz VGWPRCPFQGUQFW-MWLCHTKSSA-N -1 0 362.404 -0.437 20 0 FBADRM C[C@H](OC(=O)CC1CN(C(=O)[O-])C1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000825580646 604089303 /nfs/dbraw/zinc/08/93/03/604089303.db2.gz VGWPRCPFQGUQFW-ONGXEEELSA-N -1 0 362.404 -0.437 20 0 FBADRM C[C@H](OC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C(=O)N(C)CC(=O)NC1CC1 ZINC000825584417 605223890 /nfs/dbraw/zinc/22/38/90/605223890.db2.gz BCAUIEIPYPGDMR-CMPLNLGQSA-N -1 0 371.390 -0.576 20 0 FBADRM C[C@H](OC(=O)C[C@H]1CN(C(=O)[O-])CCO1)C(=O)N(C)CC(=O)NC1CC1 ZINC000825584420 605223839 /nfs/dbraw/zinc/22/38/39/605223839.db2.gz BCAUIEIPYPGDMR-JQWIXIFHSA-N -1 0 371.390 -0.576 20 0 FBADRM C[C@@H](OC(=O)C[C@H]1CN(C(=O)[O-])CCO1)C(=O)N(C)CC(=O)NC1CC1 ZINC000825584421 605223880 /nfs/dbraw/zinc/22/38/80/605223880.db2.gz BCAUIEIPYPGDMR-PWSUYJOCSA-N -1 0 371.390 -0.576 20 0 FBADRM C[C@@H](OC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C(=O)N(C)CC(=O)NC1CC1 ZINC000825584422 605224012 /nfs/dbraw/zinc/22/40/12/605224012.db2.gz BCAUIEIPYPGDMR-ZYHUDNBSSA-N -1 0 371.390 -0.576 20 0 FBADRM C[C@H](OC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCC(C(N)=O)CC1 ZINC000825584771 605230732 /nfs/dbraw/zinc/23/07/32/605230732.db2.gz FFHZZQXAFZQSHJ-CMPLNLGQSA-N -1 0 371.390 -0.589 20 0 FBADRM C[C@H](OC(=O)C[C@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCC(C(N)=O)CC1 ZINC000825584773 605230561 /nfs/dbraw/zinc/23/05/61/605230561.db2.gz FFHZZQXAFZQSHJ-JQWIXIFHSA-N -1 0 371.390 -0.589 20 0 FBADRM C[C@@H](OC(=O)C[C@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCC(C(N)=O)CC1 ZINC000825584774 605230708 /nfs/dbraw/zinc/23/07/08/605230708.db2.gz FFHZZQXAFZQSHJ-PWSUYJOCSA-N -1 0 371.390 -0.589 20 0 FBADRM C[C@@H](OC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCC(C(N)=O)CC1 ZINC000825584775 605230638 /nfs/dbraw/zinc/23/06/38/605230638.db2.gz FFHZZQXAFZQSHJ-ZYHUDNBSSA-N -1 0 371.390 -0.589 20 0 FBADRM C[C@H](OC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000825585800 605224639 /nfs/dbraw/zinc/22/46/39/605224639.db2.gz LQQWPQJGICEFOI-QJPTWQEYSA-N -1 0 371.390 -0.589 20 0 FBADRM C[C@H](OC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000825585801 605224686 /nfs/dbraw/zinc/22/46/86/605224686.db2.gz LQQWPQJGICEFOI-SDDRHHMPSA-N -1 0 371.390 -0.589 20 0 FBADRM C[C@H](OC(=O)C[C@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000825585802 605224807 /nfs/dbraw/zinc/22/48/07/605224807.db2.gz LQQWPQJGICEFOI-SRVKXCTJSA-N -1 0 371.390 -0.589 20 0 FBADRM C[C@H](OC(=O)C[C@H]1CN(C(=O)[O-])CCO1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000825585803 605224838 /nfs/dbraw/zinc/22/48/38/605224838.db2.gz LQQWPQJGICEFOI-TUAOUCFPSA-N -1 0 371.390 -0.589 20 0 FBADRM C[C@@H](OC(=O)COC1CN(C(=O)[O-])C1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000825591915 603442689 /nfs/dbraw/zinc/44/26/89/603442689.db2.gz CKYMBHDZZVZAJS-SSDOTTSWSA-N -1 0 364.318 -0.398 20 0 FBADRM C[C@H](OC(=O)COC1CN(C(=O)[O-])C1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000825591916 603442896 /nfs/dbraw/zinc/44/28/96/603442896.db2.gz CKYMBHDZZVZAJS-ZETCQYMHSA-N -1 0 364.318 -0.398 20 0 FBADRM C[C@@H](OC(=O)COC1CN(C(=O)[O-])C1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000825592235 603444275 /nfs/dbraw/zinc/44/42/75/603444275.db2.gz IPWJMJUOTFSRCN-NXEZZACHSA-N -1 0 357.363 -0.979 20 0 FBADRM C[C@H](OC(=O)COC1CN(C(=O)[O-])C1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000825592236 603444289 /nfs/dbraw/zinc/44/42/89/603444289.db2.gz IPWJMJUOTFSRCN-UWVGGRQHSA-N -1 0 357.363 -0.979 20 0 FBADRM C[C@H](OC(=O)COC1CN(C(=O)[O-])C1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000825592237 603444235 /nfs/dbraw/zinc/44/42/35/603444235.db2.gz IPWJMJUOTFSRCN-VHSXEESVSA-N -1 0 357.363 -0.979 20 0 FBADRM C[C@@H](OC(=O)COC1CN(C(=O)[O-])C1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000825592238 603444571 /nfs/dbraw/zinc/44/45/71/603444571.db2.gz IPWJMJUOTFSRCN-ZJUUUORDSA-N -1 0 357.363 -0.979 20 0 FBADRM C[C@H](OC(=O)COC1CN(C(=O)[O-])C1)C(=O)NC(=O)NCC(F)(F)F ZINC000825592571 603445823 /nfs/dbraw/zinc/44/58/23/603445823.db2.gz NPWKDLRCTRTOFE-LURJTMIESA-N -1 0 371.268 -0.315 20 0 FBADRM C[C@@H](OC(=O)COC1CN(C(=O)[O-])C1)C(=O)NC(=O)NCC(F)(F)F ZINC000825592572 603446143 /nfs/dbraw/zinc/44/61/43/603446143.db2.gz NPWKDLRCTRTOFE-ZCFIWIBFSA-N -1 0 371.268 -0.315 20 0 FBADRM C[C@@H](OC(=O)COC1CN(C(=O)[O-])C1)C(=O)N1CCC(C(N)=O)CC1 ZINC000825593195 603447318 /nfs/dbraw/zinc/44/73/18/603447318.db2.gz XCDANEGLYSLXAB-SECBINFHSA-N -1 0 357.363 -0.979 20 0 FBADRM C[C@H](OC(=O)COC1CN(C(=O)[O-])C1)C(=O)N1CCC(C(N)=O)CC1 ZINC000825593196 603447662 /nfs/dbraw/zinc/44/76/62/603447662.db2.gz XCDANEGLYSLXAB-VIFPVBQESA-N -1 0 357.363 -0.979 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000825599323 604385165 /nfs/dbraw/zinc/38/51/65/604385165.db2.gz YFJCNJLYYASECD-AXFHLTTASA-N -1 0 364.420 -0.144 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000825599326 604385194 /nfs/dbraw/zinc/38/51/94/604385194.db2.gz YFJCNJLYYASECD-DCAQKATOSA-N -1 0 364.420 -0.144 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)O[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000825599329 604385050 /nfs/dbraw/zinc/38/50/50/604385050.db2.gz YFJCNJLYYASECD-MXWKQRLJSA-N -1 0 364.420 -0.144 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)O[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000825599330 604385034 /nfs/dbraw/zinc/38/50/34/604385034.db2.gz YFJCNJLYYASECD-VWYCJHECSA-N -1 0 364.420 -0.144 20 0 FBADRM CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000825620937 609621044 /nfs/dbraw/zinc/62/10/44/609621044.db2.gz JMYAPMZAOHBYQE-UHFFFAOYSA-N -1 0 373.333 -0.656 20 0 FBADRM C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000825623683 604397051 /nfs/dbraw/zinc/39/70/51/604397051.db2.gz NBZGOMYTUAKWII-GXSJLCMTSA-N -1 0 369.451 -0.101 20 0 FBADRM C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000825623684 604396955 /nfs/dbraw/zinc/39/69/55/604396955.db2.gz NBZGOMYTUAKWII-KOLCDFICSA-N -1 0 369.451 -0.101 20 0 FBADRM C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000825623685 604396862 /nfs/dbraw/zinc/39/68/62/604396862.db2.gz NBZGOMYTUAKWII-MWLCHTKSSA-N -1 0 369.451 -0.101 20 0 FBADRM C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000825623686 604397292 /nfs/dbraw/zinc/39/72/92/604397292.db2.gz NBZGOMYTUAKWII-ONGXEEELSA-N -1 0 369.451 -0.101 20 0 FBADRM C[C@]1(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CCN(C(=O)[O-])C1 ZINC000825649967 603885259 /nfs/dbraw/zinc/88/52/59/603885259.db2.gz ANMISRNBBJYSSP-KRWDZBQOSA-N -1 0 366.418 -0.330 20 0 FBADRM C[C@@]1(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CCN(C(=O)[O-])C1 ZINC000825649968 603884936 /nfs/dbraw/zinc/88/49/36/603884936.db2.gz ANMISRNBBJYSSP-QGZVFWFLSA-N -1 0 366.418 -0.330 20 0 FBADRM C[C@]1(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCN(C(=O)[O-])C1 ZINC000825650187 603885056 /nfs/dbraw/zinc/88/50/56/603885056.db2.gz FNATYSLHPXOTLM-INIZCTEOSA-N -1 0 352.391 -0.674 20 0 FBADRM C[C@@]1(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCN(C(=O)[O-])C1 ZINC000825650188 603885205 /nfs/dbraw/zinc/88/52/05/603885205.db2.gz FNATYSLHPXOTLM-MRXNPFEDSA-N -1 0 352.391 -0.674 20 0 FBADRM C[C@@]1(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)CCCO1 ZINC000825650273 604228117 /nfs/dbraw/zinc/22/81/17/604228117.db2.gz HFLTZJPSEPRYAT-AWEZNQCLSA-N -1 0 361.420 -0.608 20 0 FBADRM C[C@]1(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)CCCO1 ZINC000825650274 604228111 /nfs/dbraw/zinc/22/81/11/604228111.db2.gz HFLTZJPSEPRYAT-CQSZACIVSA-N -1 0 361.420 -0.608 20 0 FBADRM C[C@]1(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCN(C(=O)[O-])C1 ZINC000825651173 603869708 /nfs/dbraw/zinc/86/97/08/603869708.db2.gz VPHBGDVITTWPAD-KRWDZBQOSA-N -1 0 368.434 -0.621 20 0 FBADRM C[C@@]1(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCN(C(=O)[O-])C1 ZINC000825651176 603869671 /nfs/dbraw/zinc/86/96/71/603869671.db2.gz VPHBGDVITTWPAD-QGZVFWFLSA-N -1 0 368.434 -0.621 20 0 FBADRM C=CC(=O)NCCC(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC000825653259 604850887 /nfs/dbraw/zinc/85/08/87/604850887.db2.gz HGFBBTJJGVUQRC-UHFFFAOYSA-N -1 0 355.372 -0.320 20 0 FBADRM C[C@]1(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CCN(C(=O)[O-])C1 ZINC000825656450 603866161 /nfs/dbraw/zinc/86/61/61/603866161.db2.gz CZCQKNZVAQMVSE-DOMZBBRYSA-N -1 0 359.448 -0.292 20 0 FBADRM C[C@@]1(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CCN(C(=O)[O-])C1 ZINC000825656451 603865982 /nfs/dbraw/zinc/86/59/82/603865982.db2.gz CZCQKNZVAQMVSE-IUODEOHRSA-N -1 0 359.448 -0.292 20 0 FBADRM C[C@@]1(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CCN(C(=O)[O-])C1 ZINC000825656452 603865926 /nfs/dbraw/zinc/86/59/26/603865926.db2.gz CZCQKNZVAQMVSE-SWLSCSKDSA-N -1 0 359.448 -0.292 20 0 FBADRM C[C@]1(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CCN(C(=O)[O-])C1 ZINC000825656453 603866027 /nfs/dbraw/zinc/86/60/27/603866027.db2.gz CZCQKNZVAQMVSE-WFASDCNBSA-N -1 0 359.448 -0.292 20 0 FBADRM C[C@]1(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCN(C(=O)[O-])C1 ZINC000825656722 603866042 /nfs/dbraw/zinc/86/60/42/603866042.db2.gz JUQLULWDGKNIRV-KRWDZBQOSA-N -1 0 368.434 -0.621 20 0 FBADRM C[C@@]1(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCN(C(=O)[O-])C1 ZINC000825656723 603865906 /nfs/dbraw/zinc/86/59/06/603865906.db2.gz JUQLULWDGKNIRV-QGZVFWFLSA-N -1 0 368.434 -0.621 20 0 FBADRM C[C@@]1(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCN(C(=O)[O-])C1 ZINC000825657846 603947731 /nfs/dbraw/zinc/94/77/31/603947731.db2.gz XZKLZXRFGCOOEE-CXAGYDPISA-N -1 0 368.434 -0.574 20 0 FBADRM C[C@]1(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCN(C(=O)[O-])C1 ZINC000825657850 603947765 /nfs/dbraw/zinc/94/77/65/603947765.db2.gz XZKLZXRFGCOOEE-DYVFJYSZSA-N -1 0 368.434 -0.574 20 0 FBADRM C[C@]1(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCN(C(=O)[O-])C1 ZINC000825657851 603947607 /nfs/dbraw/zinc/94/76/07/603947607.db2.gz XZKLZXRFGCOOEE-GUYCJALGSA-N -1 0 368.434 -0.574 20 0 FBADRM C[C@@]1(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCN(C(=O)[O-])C1 ZINC000825657852 603947753 /nfs/dbraw/zinc/94/77/53/603947753.db2.gz XZKLZXRFGCOOEE-SUMWQHHRSA-N -1 0 368.434 -0.574 20 0 FBADRM C[C@]1(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)CCN(C(=O)[O-])C1 ZINC000825662931 603880853 /nfs/dbraw/zinc/88/08/53/603880853.db2.gz INJRBCRIMWVROB-HZMBPMFUSA-N -1 0 361.420 -0.814 20 0 FBADRM C[C@@]1(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)CCN(C(=O)[O-])C1 ZINC000825662932 603881144 /nfs/dbraw/zinc/88/11/44/603881144.db2.gz INJRBCRIMWVROB-IINYFYTJSA-N -1 0 361.420 -0.814 20 0 FBADRM C[C@@]1(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)CCN(C(=O)[O-])C1 ZINC000825662933 603881133 /nfs/dbraw/zinc/88/11/33/603881133.db2.gz INJRBCRIMWVROB-QMTHXVAHSA-N -1 0 361.420 -0.814 20 0 FBADRM C[C@]1(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)CCN(C(=O)[O-])C1 ZINC000825662935 603880961 /nfs/dbraw/zinc/88/09/61/603880961.db2.gz INJRBCRIMWVROB-YGRLFVJLSA-N -1 0 361.420 -0.814 20 0 FBADRM C[C@]1(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCN(C(=O)[O-])C1 ZINC000825663013 603893853 /nfs/dbraw/zinc/89/38/53/603893853.db2.gz JXQYCTHESQJWEI-AWEZNQCLSA-N -1 0 362.452 -0.930 20 0 FBADRM C[C@@]1(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCN(C(=O)[O-])C1 ZINC000825663014 603893848 /nfs/dbraw/zinc/89/38/48/603893848.db2.gz JXQYCTHESQJWEI-CQSZACIVSA-N -1 0 362.452 -0.930 20 0 FBADRM C[C@@]1(C(=O)NCC(CNC(=O)[C@]2(C)CCCO2)NC(=O)[O-])CCCO1 ZINC000825663360 604228130 /nfs/dbraw/zinc/22/81/30/604228130.db2.gz OOBZLSZSHCLKIT-HOTGVXAUSA-N -1 0 357.407 -0.007 20 0 FBADRM C[C@]1(C(=O)NCC(CNC(=O)[C@@]2(C)CCCO2)NC(=O)[O-])CCCO1 ZINC000825663362 604228354 /nfs/dbraw/zinc/22/83/54/604228354.db2.gz OOBZLSZSHCLKIT-HZPDHXFCSA-N -1 0 357.407 -0.007 20 0 FBADRM C[C@]1(C(=O)NC[C@@H](CNC(=O)[C@]2(C)CCCO2)NC(=O)[O-])CCCO1 ZINC000825663364 604228409 /nfs/dbraw/zinc/22/84/09/604228409.db2.gz OOBZLSZSHCLKIT-WSXDHINRSA-N -1 0 357.407 -0.007 20 0 FBADRM CCS(=O)(=O)NCCCn1cc(C(=O)OC)cc(-c2nnn[n-]2)c1=O ZINC000825663607 607808721 /nfs/dbraw/zinc/80/87/21/607808721.db2.gz SHNAGULQAIHSRB-UHFFFAOYSA-N -1 0 370.391 -0.856 20 0 FBADRM C[C@@]1(C(=O)NCCNS(=O)(=O)Cc2ccon2)CCN(C(=O)[O-])C1 ZINC000825664092 603997464 /nfs/dbraw/zinc/99/74/64/603997464.db2.gz XAGMGAUTXDVTFC-CYBMUJFWSA-N -1 0 360.392 -0.400 20 0 FBADRM C[C@]1(C(=O)NCCNS(=O)(=O)Cc2ccon2)CCN(C(=O)[O-])C1 ZINC000825664093 603997350 /nfs/dbraw/zinc/99/73/50/603997350.db2.gz XAGMGAUTXDVTFC-ZDUSSCGKSA-N -1 0 360.392 -0.400 20 0 FBADRM C[C@@]1(C(=O)NCCS(=O)(=O)N2CCSCC2)CCN(C(=O)[O-])C1 ZINC000825664213 603931311 /nfs/dbraw/zinc/93/13/11/603931311.db2.gz ZNTBWOVGWAXXSP-CYBMUJFWSA-N -1 0 365.477 -0.129 20 0 FBADRM C[C@]1(C(=O)NCCS(=O)(=O)N2CCSCC2)CCN(C(=O)[O-])C1 ZINC000825664214 603931584 /nfs/dbraw/zinc/93/15/84/603931584.db2.gz ZNTBWOVGWAXXSP-ZDUSSCGKSA-N -1 0 365.477 -0.129 20 0 FBADRM CCS[C@H](C)c1noc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)n1 ZINC000825668608 608095633 /nfs/dbraw/zinc/09/56/33/608095633.db2.gz HJUDIFSGBGUXDL-SSDOTTSWSA-N -1 0 364.391 -0.028 20 0 FBADRM CCS[C@@H](C)c1noc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)n1 ZINC000825668610 608095589 /nfs/dbraw/zinc/09/55/89/608095589.db2.gz HJUDIFSGBGUXDL-ZETCQYMHSA-N -1 0 364.391 -0.028 20 0 FBADRM C[C@]1(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)CCN(C(=O)[O-])C1 ZINC000825674098 603885786 /nfs/dbraw/zinc/88/57/86/603885786.db2.gz XOKFXDKPENJGJQ-KRWDZBQOSA-N -1 0 362.386 -0.092 20 0 FBADRM C[C@@]1(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)CCN(C(=O)[O-])C1 ZINC000825674101 603885835 /nfs/dbraw/zinc/88/58/35/603885835.db2.gz XOKFXDKPENJGJQ-QGZVFWFLSA-N -1 0 362.386 -0.092 20 0 FBADRM CC[C@@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C(=O)OC(C)(C)C ZINC000825680145 608236188 /nfs/dbraw/zinc/23/61/88/608236188.db2.gz VDIGJUYFRBGFGL-MRVPVSSYSA-N -1 0 365.394 -0.204 20 0 FBADRM CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000825695355 604076620 /nfs/dbraw/zinc/07/66/20/604076620.db2.gz BBNSDOYZZMTHPG-UHFFFAOYSA-N -1 0 370.406 -0.018 20 0 FBADRM CC1(C)CN(C(=O)NCCN2CCN(C(=O)[O-])CC2)CCS1(=O)=O ZINC000825719320 603686504 /nfs/dbraw/zinc/68/65/04/603686504.db2.gz NUSUMVJCEWFLLB-UHFFFAOYSA-N -1 0 362.452 -0.499 20 0 FBADRM O=S(=O)(NCC12COCCN1CCOC2)c1c[nH]nc1C(F)(F)F ZINC000825720075 839183997 /nfs/dbraw/zinc/18/39/97/839183997.db2.gz HQUXWNGGDDDEHY-UHFFFAOYSA-N -1 0 370.353 -0.192 20 0 FBADRM CC1(C)CN(C(=O)[O-])CCN1C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000825724580 603949951 /nfs/dbraw/zinc/94/99/51/603949951.db2.gz MDORCAMJUALIKL-UHFFFAOYSA-N -1 0 359.408 -0.479 20 0 FBADRM CC1(C)CN(C(=O)[O-])CCN1C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000825725208 604324457 /nfs/dbraw/zinc/32/44/57/604324457.db2.gz WKGNWPHQIRKNGT-UHFFFAOYSA-N -1 0 362.452 -0.836 20 0 FBADRM CC1(C)CN(C(=O)[O-])CCN1S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000825728811 603757590 /nfs/dbraw/zinc/75/75/90/603757590.db2.gz BEHWRVXREKWZCU-UHFFFAOYSA-N -1 0 354.450 -0.032 20 0 FBADRM CC1(C)CN(CN2C[C@H]3CN(C(=O)[O-])CCN3C2=O)CCS1(=O)=O ZINC000825735441 603605445 /nfs/dbraw/zinc/60/54/45/603605445.db2.gz YLXVVQDNMPCBHV-LLVKDONJSA-N -1 0 360.436 -0.447 20 0 FBADRM CC1(C)CN(CN2C[C@@H]3CN(C(=O)[O-])CCN3C2=O)CCS1(=O)=O ZINC000825735443 603605789 /nfs/dbraw/zinc/60/57/89/603605789.db2.gz YLXVVQDNMPCBHV-NSHDSACASA-N -1 0 360.436 -0.447 20 0 FBADRM C[C@]1([C@H]2CCCN(C(=O)[C@]3(F)CCN(C(=O)[O-])C3)C2)NC(=O)NC1=O ZINC000825738715 604063739 /nfs/dbraw/zinc/06/37/39/604063739.db2.gz BYSSHGZHIOGXOK-AMFBXLIHSA-N -1 0 356.354 -0.085 20 0 FBADRM C[C@]1([C@@H]2CCCN(C(=O)[C@@]3(F)CCN(C(=O)[O-])C3)C2)NC(=O)NC1=O ZINC000825738716 604063648 /nfs/dbraw/zinc/06/36/48/604063648.db2.gz BYSSHGZHIOGXOK-DFKRKDTASA-N -1 0 356.354 -0.085 20 0 FBADRM C[C@]1([C@H]2CCCN(C(=O)[C@@]3(F)CCN(C(=O)[O-])C3)C2)NC(=O)NC1=O ZINC000825738717 604063578 /nfs/dbraw/zinc/06/35/78/604063578.db2.gz BYSSHGZHIOGXOK-TZTCFGBESA-N -1 0 356.354 -0.085 20 0 FBADRM C[C@]1([C@@H]2CCCN(C(=O)[C@]3(F)CCN(C(=O)[O-])C3)C2)NC(=O)NC1=O ZINC000825738718 604063650 /nfs/dbraw/zinc/06/36/50/604063650.db2.gz BYSSHGZHIOGXOK-ZWZTZDBGSA-N -1 0 356.354 -0.085 20 0 FBADRM C[C@@]1(C2CCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)CC2)NC(=O)NC1=O ZINC000825738969 604973702 /nfs/dbraw/zinc/97/37/02/604973702.db2.gz FSDZXCXLVWMAMU-BMIGLBTASA-N -1 0 354.363 -0.798 20 0 FBADRM C[C@@]1(C2CCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)CC2)NC(=O)NC1=O ZINC000825738970 604974042 /nfs/dbraw/zinc/97/40/42/604974042.db2.gz FSDZXCXLVWMAMU-BONVTDFDSA-N -1 0 354.363 -0.798 20 0 FBADRM C[C@]1(C2CCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)CC2)NC(=O)NC1=O ZINC000825738971 604974106 /nfs/dbraw/zinc/97/41/06/604974106.db2.gz FSDZXCXLVWMAMU-MEBBXXQBSA-N -1 0 354.363 -0.798 20 0 FBADRM C[C@]1(C2CCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)CC2)NC(=O)NC1=O ZINC000825738973 604973726 /nfs/dbraw/zinc/97/37/26/604973726.db2.gz FSDZXCXLVWMAMU-ZUZCIYMTSA-N -1 0 354.363 -0.798 20 0 FBADRM C[C@]1([C@H]2CCCN(C(=O)[C@@H]3COCCN3C(=O)[O-])C2)NC(=O)NC1=O ZINC000825739085 604063616 /nfs/dbraw/zinc/06/36/16/604063616.db2.gz HGEINZYGNFJEIN-AMJWSMQMSA-N -1 0 354.363 -0.798 20 0 FBADRM C[C@]1([C@H]2CCCN(C(=O)[C@H]3COCCN3C(=O)[O-])C2)NC(=O)NC1=O ZINC000825739086 604063679 /nfs/dbraw/zinc/06/36/79/604063679.db2.gz HGEINZYGNFJEIN-FEUHOPSXSA-N -1 0 354.363 -0.798 20 0 FBADRM C[C@]1([C@@H]2CCCN(C(=O)[C@@H]3COCCN3C(=O)[O-])C2)NC(=O)NC1=O ZINC000825739088 604063644 /nfs/dbraw/zinc/06/36/44/604063644.db2.gz HGEINZYGNFJEIN-HFBDOXOYSA-N -1 0 354.363 -0.798 20 0 FBADRM C[C@]1([C@@H]2CCCN(C(=O)[C@H]3COCCN3C(=O)[O-])C2)NC(=O)NC1=O ZINC000825739090 604063642 /nfs/dbraw/zinc/06/36/42/604063642.db2.gz HGEINZYGNFJEIN-IQMDTDKHSA-N -1 0 354.363 -0.798 20 0 FBADRM C[C@]1([C@H]2CCCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)C2)NC(=O)NC1=O ZINC000825739501 604274584 /nfs/dbraw/zinc/27/45/84/604274584.db2.gz LNVVLEJNTXLNOH-AMJWSMQMSA-N -1 0 354.363 -0.798 20 0 FBADRM C[C@]1([C@H]2CCCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)C2)NC(=O)NC1=O ZINC000825739503 604274769 /nfs/dbraw/zinc/27/47/69/604274769.db2.gz LNVVLEJNTXLNOH-FEUHOPSXSA-N -1 0 354.363 -0.798 20 0 FBADRM C[C@]1([C@@H]2CCCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)C2)NC(=O)NC1=O ZINC000825739504 604274695 /nfs/dbraw/zinc/27/46/95/604274695.db2.gz LNVVLEJNTXLNOH-HFBDOXOYSA-N -1 0 354.363 -0.798 20 0 FBADRM C[C@]1([C@@H]2CCCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)C2)NC(=O)NC1=O ZINC000825739505 604275055 /nfs/dbraw/zinc/27/50/55/604275055.db2.gz LNVVLEJNTXLNOH-IQMDTDKHSA-N -1 0 354.363 -0.798 20 0 FBADRM C[C@]1([C@H]2CCCN(C(=O)N[C@H]3CCN(C(=O)[O-])C3)C2)NC(=O)NC1=O ZINC000825739588 605174155 /nfs/dbraw/zinc/17/41/55/605174155.db2.gz MKXIQIVSOLXEFF-AMJWSMQMSA-N -1 0 353.379 -0.242 20 0 FBADRM C[C@]1([C@H]2CCCN(C(=O)N[C@@H]3CCN(C(=O)[O-])C3)C2)NC(=O)NC1=O ZINC000825739590 605174269 /nfs/dbraw/zinc/17/42/69/605174269.db2.gz MKXIQIVSOLXEFF-FEUHOPSXSA-N -1 0 353.379 -0.242 20 0 FBADRM C[C@]1([C@@H]2CCCN(C(=O)N[C@H]3CCN(C(=O)[O-])C3)C2)NC(=O)NC1=O ZINC000825739592 605174085 /nfs/dbraw/zinc/17/40/85/605174085.db2.gz MKXIQIVSOLXEFF-HFBDOXOYSA-N -1 0 353.379 -0.242 20 0 FBADRM C[C@]1([C@@H]2CCCN(C(=O)N[C@@H]3CCN(C(=O)[O-])C3)C2)NC(=O)NC1=O ZINC000825739594 605174162 /nfs/dbraw/zinc/17/41/62/605174162.db2.gz MKXIQIVSOLXEFF-IQMDTDKHSA-N -1 0 353.379 -0.242 20 0 FBADRM C[C@]1([C@H]2CCCN(C(=O)COC3CN(C(=O)[O-])C3)C2)NC(=O)NC1=O ZINC000825739767 604064424 /nfs/dbraw/zinc/06/44/24/604064424.db2.gz OQZYSRRYPJMFMP-BJOHPYRUSA-N -1 0 354.363 -0.798 20 0 FBADRM C[C@@]1([C@@H]2CCCN(C(=O)COC3CN(C(=O)[O-])C3)C2)NC(=O)NC1=O ZINC000825739768 604064487 /nfs/dbraw/zinc/06/44/87/604064487.db2.gz OQZYSRRYPJMFMP-PSLIRLAXSA-N -1 0 354.363 -0.798 20 0 FBADRM C[C@]1([C@@H]2CCCN(C(=O)COC3CN(C(=O)[O-])C3)C2)NC(=O)NC1=O ZINC000825739769 604064158 /nfs/dbraw/zinc/06/41/58/604064158.db2.gz OQZYSRRYPJMFMP-RFAUZJTJSA-N -1 0 354.363 -0.798 20 0 FBADRM C[C@@]1([C@H]2CCCN(C(=O)COC3CN(C(=O)[O-])C3)C2)NC(=O)NC1=O ZINC000825739770 604064281 /nfs/dbraw/zinc/06/42/81/604064281.db2.gz OQZYSRRYPJMFMP-VFZGTOFNSA-N -1 0 354.363 -0.798 20 0 FBADRM C[C@]1([C@H]2CCCN(C(=O)[C@H]3CSCN3C(=O)[O-])C2)NC(=O)NC1=O ZINC000825739856 604212549 /nfs/dbraw/zinc/21/25/49/604212549.db2.gz POZQHSPDGYAFDI-ATEUNZGCSA-N -1 0 356.404 -0.124 20 0 FBADRM C[C@@]1([C@@H]2CCCN(C(=O)[C@H]3CSCN3C(=O)[O-])C2)NC(=O)NC1=O ZINC000825739857 604212914 /nfs/dbraw/zinc/21/29/14/604212914.db2.gz POZQHSPDGYAFDI-NUPCCRGMSA-N -1 0 356.404 -0.124 20 0 FBADRM C[C@@]1([C@H]2CCCN(C(=O)[C@H]3CSCN3C(=O)[O-])C2)NC(=O)NC1=O ZINC000825739858 604212791 /nfs/dbraw/zinc/21/27/91/604212791.db2.gz POZQHSPDGYAFDI-QIBSRJKCSA-N -1 0 356.404 -0.124 20 0 FBADRM C[C@]1([C@@H]2CCCN(C(=O)[C@H]3CSCN3C(=O)[O-])C2)NC(=O)NC1=O ZINC000825739859 604212893 /nfs/dbraw/zinc/21/28/93/604212893.db2.gz POZQHSPDGYAFDI-RFXMVYNHSA-N -1 0 356.404 -0.124 20 0 FBADRM C[C@]1([C@@H]2CCCN(C(=O)[C@@H]3CSCN3C(=O)[O-])C2)NC(=O)NC1=O ZINC000825739860 604064419 /nfs/dbraw/zinc/06/44/19/604064419.db2.gz POZQHSPDGYAFDI-TVLCNXBWSA-N -1 0 356.404 -0.124 20 0 FBADRM C[C@]1([C@H]2CCCN(C(=O)[C@@H]3CSCN3C(=O)[O-])C2)NC(=O)NC1=O ZINC000825739861 604064205 /nfs/dbraw/zinc/06/42/05/604064205.db2.gz POZQHSPDGYAFDI-UINNMSKDSA-N -1 0 356.404 -0.124 20 0 FBADRM C[C@@]1(C2CCN(C(=O)[C@H]3COCCN3C(=O)[O-])CC2)NC(=O)NC1=O ZINC000825740108 604023406 /nfs/dbraw/zinc/02/34/06/604023406.db2.gz SXQVSRHWBJJQFH-BMIGLBTASA-N -1 0 354.363 -0.798 20 0 FBADRM C[C@@]1(C2CCN(C(=O)[C@@H]3COCCN3C(=O)[O-])CC2)NC(=O)NC1=O ZINC000825740109 604023258 /nfs/dbraw/zinc/02/32/58/604023258.db2.gz SXQVSRHWBJJQFH-BONVTDFDSA-N -1 0 354.363 -0.798 20 0 FBADRM C[C@]1(C2CCN(C(=O)[C@H]3COCCN3C(=O)[O-])CC2)NC(=O)NC1=O ZINC000825740210 604023415 /nfs/dbraw/zinc/02/34/15/604023415.db2.gz SXQVSRHWBJJQFH-MEBBXXQBSA-N -1 0 354.363 -0.798 20 0 FBADRM C[C@]1(C2CCN(C(=O)[C@@H]3COCCN3C(=O)[O-])CC2)NC(=O)NC1=O ZINC000825740211 604023301 /nfs/dbraw/zinc/02/33/01/604023301.db2.gz SXQVSRHWBJJQFH-ZUZCIYMTSA-N -1 0 354.363 -0.798 20 0 FBADRM C[C@]1(C2CCN(C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)CC2)NC(=O)NC1=O ZINC000825740218 604973927 /nfs/dbraw/zinc/97/39/27/604973927.db2.gz TXZIZZQPGBHSJR-BDJLRTHQSA-N -1 0 368.390 -0.408 20 0 FBADRM C[C@@]1(C2CCN(C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)CC2)NC(=O)NC1=O ZINC000825740219 604974048 /nfs/dbraw/zinc/97/40/48/604974048.db2.gz TXZIZZQPGBHSJR-BZNIZROVSA-N -1 0 368.390 -0.408 20 0 FBADRM C[C@]1(C2CCN(C(=O)C[C@H]3CN(C(=O)[O-])CCO3)CC2)NC(=O)NC1=O ZINC000825740220 604973786 /nfs/dbraw/zinc/97/37/86/604973786.db2.gz TXZIZZQPGBHSJR-MEDUHNTESA-N -1 0 368.390 -0.408 20 0 FBADRM C[C@@]1(C2CCN(C(=O)C[C@H]3CN(C(=O)[O-])CCO3)CC2)NC(=O)NC1=O ZINC000825740221 604973748 /nfs/dbraw/zinc/97/37/48/604973748.db2.gz TXZIZZQPGBHSJR-ZBEGNZNMSA-N -1 0 368.390 -0.408 20 0 FBADRM C[C@]1(C2CCN(C(=O)[C@]3(F)CCN(C(=O)[O-])C3)CC2)NC(=O)NC1=O ZINC000825740243 603937332 /nfs/dbraw/zinc/93/73/32/603937332.db2.gz UHBIDKJHSVKWRF-CABCVRRESA-N -1 0 356.354 -0.085 20 0 FBADRM C[C@@]1(C2CCN(C(=O)[C@]3(F)CCN(C(=O)[O-])C3)CC2)NC(=O)NC1=O ZINC000825740244 603937060 /nfs/dbraw/zinc/93/70/60/603937060.db2.gz UHBIDKJHSVKWRF-GJZGRUSLSA-N -1 0 356.354 -0.085 20 0 FBADRM C[C@]1(C2CCN(C(=O)[C@@]3(F)CCN(C(=O)[O-])C3)CC2)NC(=O)NC1=O ZINC000825740245 603937107 /nfs/dbraw/zinc/93/71/07/603937107.db2.gz UHBIDKJHSVKWRF-HUUCEWRRSA-N -1 0 356.354 -0.085 20 0 FBADRM C[C@@]1(C2CCN(C(=O)[C@@]3(F)CCN(C(=O)[O-])C3)CC2)NC(=O)NC1=O ZINC000825740246 603937185 /nfs/dbraw/zinc/93/71/85/603937185.db2.gz UHBIDKJHSVKWRF-LSDHHAIUSA-N -1 0 356.354 -0.085 20 0 FBADRM C[C@]1(C2CCN(C(=O)[C@@H]3CSCN3C(=O)[O-])CC2)NC(=O)NC1=O ZINC000825740420 604023344 /nfs/dbraw/zinc/02/33/44/604023344.db2.gz WRVJFVNAXIHUOY-LKFCYVNXSA-N -1 0 356.404 -0.124 20 0 FBADRM C[C@@]1(C2CCN(C(=O)[C@H]3CSCN3C(=O)[O-])CC2)NC(=O)NC1=O ZINC000825740422 604023061 /nfs/dbraw/zinc/02/30/61/604023061.db2.gz WRVJFVNAXIHUOY-OTYXRUKQSA-N -1 0 356.404 -0.124 20 0 FBADRM C[C@@]1(C2CCN(C(=O)[C@@H]3CSCN3C(=O)[O-])CC2)NC(=O)NC1=O ZINC000825740423 604023411 /nfs/dbraw/zinc/02/34/11/604023411.db2.gz WRVJFVNAXIHUOY-XPTSAGLGSA-N -1 0 356.404 -0.124 20 0 FBADRM C[C@]1(C2CCN(C(=O)[C@H]3CSCN3C(=O)[O-])CC2)NC(=O)NC1=O ZINC000825740424 604023327 /nfs/dbraw/zinc/02/33/27/604023327.db2.gz WRVJFVNAXIHUOY-YMTOWFKASA-N -1 0 356.404 -0.124 20 0 FBADRM C[C@]1([C@@H]2CCCN(C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)C2)NC(=O)NC1=O ZINC000825740527 604275303 /nfs/dbraw/zinc/27/53/03/604275303.db2.gz YVSNCGPXVBBBAD-GLKRBJQHSA-N -1 0 368.390 -0.408 20 0 FBADRM C[C@]1([C@H]2CCCN(C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)C2)NC(=O)NC1=O ZINC000825740528 604275314 /nfs/dbraw/zinc/27/53/14/604275314.db2.gz YVSNCGPXVBBBAD-LYOVBCGYSA-N -1 0 368.390 -0.408 20 0 FBADRM C[C@]1([C@@H]2CCCN(C(=O)C[C@H]3CN(C(=O)[O-])CCO3)C2)NC(=O)NC1=O ZINC000825740529 604275065 /nfs/dbraw/zinc/27/50/65/604275065.db2.gz YVSNCGPXVBBBAD-OHUAYANFSA-N -1 0 368.390 -0.408 20 0 FBADRM C[C@]1([C@H]2CCCN(C(=O)C[C@H]3CN(C(=O)[O-])CCO3)C2)NC(=O)NC1=O ZINC000825740530 604275197 /nfs/dbraw/zinc/27/51/97/604275197.db2.gz YVSNCGPXVBBBAD-XMZIXOGTSA-N -1 0 368.390 -0.408 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)C1=O ZINC000825740587 603615499 /nfs/dbraw/zinc/61/54/99/603615499.db2.gz ZWUNFFPHCXEPGZ-BMIGLBTASA-N -1 0 353.331 -0.429 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)C1=O ZINC000825740589 603615030 /nfs/dbraw/zinc/61/50/30/603615030.db2.gz ZWUNFFPHCXEPGZ-BONVTDFDSA-N -1 0 353.331 -0.429 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)C1=O ZINC000825740591 603615510 /nfs/dbraw/zinc/61/55/10/603615510.db2.gz ZWUNFFPHCXEPGZ-MEBBXXQBSA-N -1 0 353.331 -0.429 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)C1=O ZINC000825740593 603615156 /nfs/dbraw/zinc/61/51/56/603615156.db2.gz ZWUNFFPHCXEPGZ-ZUZCIYMTSA-N -1 0 353.331 -0.429 20 0 FBADRM CC1(C2CCN(C(=O)CN3CCN(C(=O)[O-])CC3=O)CC2)OCCO1 ZINC000825743504 603595940 /nfs/dbraw/zinc/59/59/40/603595940.db2.gz ADMWVLLROFERTK-UHFFFAOYSA-N -1 0 355.391 -0.190 20 0 FBADRM C[C@@]1(C2CCN(C(=O)COC3CN(C(=O)[O-])C3)CC2)NC(=O)NC1=O ZINC000825743790 604023401 /nfs/dbraw/zinc/02/34/01/604023401.db2.gz HZIZWDPSWVADQF-HNNXBMFYSA-N -1 0 354.363 -0.798 20 0 FBADRM C[C@]1(C2CCN(C(=O)COC3CN(C(=O)[O-])C3)CC2)NC(=O)NC1=O ZINC000825743791 604023376 /nfs/dbraw/zinc/02/33/76/604023376.db2.gz HZIZWDPSWVADQF-OAHLLOKOSA-N -1 0 354.363 -0.798 20 0 FBADRM C[C@@]1(C2CCN(C(=O)N[C@@H]3CCN(C(=O)[O-])C3)CC2)NC(=O)NC1=O ZINC000825743865 661106109 /nfs/dbraw/zinc/10/61/09/661106109.db2.gz ILXFOEJTVVEUGJ-BMIGLBTASA-N -1 0 353.379 -0.242 20 0 FBADRM C[C@@]1(C2CCN(C(=O)N[C@H]3CCN(C(=O)[O-])C3)CC2)NC(=O)NC1=O ZINC000825743867 661106374 /nfs/dbraw/zinc/10/63/74/661106374.db2.gz ILXFOEJTVVEUGJ-BONVTDFDSA-N -1 0 353.379 -0.242 20 0 FBADRM C[C@]1(C2CCN(C(=O)N[C@@H]3CCN(C(=O)[O-])C3)CC2)NC(=O)NC1=O ZINC000825743869 661106335 /nfs/dbraw/zinc/10/63/35/661106335.db2.gz ILXFOEJTVVEUGJ-MEBBXXQBSA-N -1 0 353.379 -0.242 20 0 FBADRM C[C@]1(C2CCN(C(=O)N[C@H]3CCN(C(=O)[O-])C3)CC2)NC(=O)NC1=O ZINC000825743871 661106075 /nfs/dbraw/zinc/10/60/75/661106075.db2.gz ILXFOEJTVVEUGJ-ZUZCIYMTSA-N -1 0 353.379 -0.242 20 0 FBADRM C[C@@]1(CCCC(=O)NCCCN2CCN(C(=O)[O-])CC2)NC(=O)NC1=O ZINC000825743873 605443421 /nfs/dbraw/zinc/44/34/21/605443421.db2.gz IRWIOSVJURQHGR-INIZCTEOSA-N -1 0 369.422 -0.443 20 0 FBADRM C[C@]1(CCCC(=O)NCCCN2CCN(C(=O)[O-])CC2)NC(=O)NC1=O ZINC000825743877 605443413 /nfs/dbraw/zinc/44/34/13/605443413.db2.gz IRWIOSVJURQHGR-MRXNPFEDSA-N -1 0 369.422 -0.443 20 0 FBADRM C/C(=C\CN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)C(=O)[O-] ZINC000825746669 601158236 /nfs/dbraw/zinc/15/82/36/601158236.db2.gz JNBHRXRZQNQIJG-HMCFADQJSA-N -1 0 366.461 -0.848 20 0 FBADRM C/C(=C\CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)C(=O)[O-] ZINC000825746670 601158252 /nfs/dbraw/zinc/15/82/52/601158252.db2.gz JNBHRXRZQNQIJG-KLVUZYOQSA-N -1 0 366.461 -0.848 20 0 FBADRM C/C(=C/CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)C(=O)[O-] ZINC000825746671 601158024 /nfs/dbraw/zinc/15/80/24/601158024.db2.gz JNBHRXRZQNQIJG-MFUWOIKSSA-N -1 0 366.461 -0.848 20 0 FBADRM C/C(=C/CN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)C(=O)[O-] ZINC000825746672 601158235 /nfs/dbraw/zinc/15/82/35/601158235.db2.gz JNBHRXRZQNQIJG-RENATIMJSA-N -1 0 366.461 -0.848 20 0 FBADRM C/C(=C\CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)C(=O)[O-] ZINC000825746883 601156374 /nfs/dbraw/zinc/15/63/74/601156374.db2.gz MJNSNCJRDFAIBG-ONNFQVAWSA-N -1 0 357.388 -0.284 20 0 FBADRM C/C(=C/CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)C(=O)[O-] ZINC000825746884 601156349 /nfs/dbraw/zinc/15/63/49/601156349.db2.gz MJNSNCJRDFAIBG-WMZJFQQLSA-N -1 0 357.388 -0.284 20 0 FBADRM C/C(=C\CN1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1)C(=O)[O-] ZINC000825747649 601156846 /nfs/dbraw/zinc/15/68/46/601156846.db2.gz WJRPIOQHYBHCBN-GAVOFTNISA-N -1 0 361.464 -0.011 20 0 FBADRM C/C(=C/CN1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1)C(=O)[O-] ZINC000825747650 601156376 /nfs/dbraw/zinc/15/63/76/601156376.db2.gz WJRPIOQHYBHCBN-SXBPGYJLSA-N -1 0 361.464 -0.011 20 0 FBADRM C/C(=C/CN1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1)C(=O)[O-] ZINC000825747651 601156363 /nfs/dbraw/zinc/15/63/63/601156363.db2.gz WJRPIOQHYBHCBN-UUJPCHCISA-N -1 0 361.464 -0.011 20 0 FBADRM C/C(=C\CN1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1)C(=O)[O-] ZINC000825747652 601156716 /nfs/dbraw/zinc/15/67/16/601156716.db2.gz WJRPIOQHYBHCBN-XWBNGWDBSA-N -1 0 361.464 -0.011 20 0 FBADRM CC1(CNC(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)CC1 ZINC000825749502 604884277 /nfs/dbraw/zinc/88/42/77/604884277.db2.gz NERIENWZHUAQML-UHFFFAOYSA-N -1 0 360.436 -0.194 20 0 FBADRM CCc1nc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)sc1C(=O)OC ZINC000825750237 607540794 /nfs/dbraw/zinc/54/07/94/607540794.db2.gz NHPKSAZSVULHRS-UHFFFAOYSA-N -1 0 363.363 -0.098 20 0 FBADRM C/C(=C/COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000825752733 601405498 /nfs/dbraw/zinc/40/54/98/601405498.db2.gz OOEAUPAZTTUDDW-FWAPLPHYSA-N -1 0 358.372 -0.274 20 0 FBADRM C/C(=C\COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000825752736 601405511 /nfs/dbraw/zinc/40/55/11/601405511.db2.gz OOEAUPAZTTUDDW-LLGDCAAFSA-N -1 0 358.372 -0.274 20 0 FBADRM C/C(=C\COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000825752738 601405483 /nfs/dbraw/zinc/40/54/83/601405483.db2.gz OOEAUPAZTTUDDW-WXLQGSQKSA-N -1 0 358.372 -0.274 20 0 FBADRM C/C(=C/COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000825752740 601405516 /nfs/dbraw/zinc/40/55/16/601405516.db2.gz OOEAUPAZTTUDDW-ZUYFITGHSA-N -1 0 358.372 -0.274 20 0 FBADRM CC1(OC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CN(C(=O)[O-])C1 ZINC000825759757 604217949 /nfs/dbraw/zinc/21/79/49/604217949.db2.gz DZIKYIDEYJTPTM-SECBINFHSA-N -1 0 373.387 -0.553 20 0 FBADRM CC1(OC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CN(C(=O)[O-])C1 ZINC000825759758 604218814 /nfs/dbraw/zinc/21/88/14/604218814.db2.gz DZIKYIDEYJTPTM-VIFPVBQESA-N -1 0 373.387 -0.553 20 0 FBADRM CC1(OC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CN(C(=O)[O-])C1 ZINC000825759774 604218962 /nfs/dbraw/zinc/21/89/62/604218962.db2.gz FKLVAZKZCADTTO-NXEZZACHSA-N -1 0 360.388 -0.683 20 0 FBADRM CC1(OC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CN(C(=O)[O-])C1 ZINC000825759775 604218798 /nfs/dbraw/zinc/21/87/98/604218798.db2.gz FKLVAZKZCADTTO-UWVGGRQHSA-N -1 0 360.388 -0.683 20 0 FBADRM CC1(OC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CN(C(=O)[O-])C1 ZINC000825759776 604218746 /nfs/dbraw/zinc/21/87/46/604218746.db2.gz FKLVAZKZCADTTO-VHSXEESVSA-N -1 0 360.388 -0.683 20 0 FBADRM CC1(OC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CN(C(=O)[O-])C1 ZINC000825759777 604218867 /nfs/dbraw/zinc/21/88/67/604218867.db2.gz FKLVAZKZCADTTO-ZJUUUORDSA-N -1 0 360.388 -0.683 20 0 FBADRM CCc1nn(C)c(CC)c1CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000825760332 607850545 /nfs/dbraw/zinc/85/05/45/607850545.db2.gz VGKHDAJBBAKSET-UHFFFAOYSA-N -1 0 373.421 -0.266 20 0 FBADRM CCc1nn(CCCNS(=O)(=O)CC)c(=O)c(-c2nnn[n-]2)c1CC ZINC000825762441 607809393 /nfs/dbraw/zinc/80/93/93/607809393.db2.gz BHGVYRLHPOLKJX-UHFFFAOYSA-N -1 0 369.451 -0.122 20 0 FBADRM CCc1nn(C[C@H]2CC(C(=O)OC)=NO2)c(=O)c(-c2nnn[n-]2)c1CC ZINC000825763326 608014366 /nfs/dbraw/zinc/01/43/66/608014366.db2.gz UGFRSSNRGBOEOT-MRVPVSSYSA-N -1 0 361.362 -0.134 20 0 FBADRM CCc1nn(C[C@@H]2CC(C(=O)OC)=NO2)c(=O)c(-c2nnn[n-]2)c1CC ZINC000825763327 608014226 /nfs/dbraw/zinc/01/42/26/608014226.db2.gz UGFRSSNRGBOEOT-QMMMGPOBSA-N -1 0 361.362 -0.134 20 0 FBADRM CCc1nn(CC(=O)N2CCN(C)CC2)c(=O)c(-c2nnn[n-]2)c1CC ZINC000825763492 608014934 /nfs/dbraw/zinc/01/49/34/608014934.db2.gz XBHGJPGKXRDZNX-UHFFFAOYSA-N -1 0 360.422 -0.678 20 0 FBADRM C/C(=C/COC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000825765076 601412548 /nfs/dbraw/zinc/41/25/48/601412548.db2.gz LXJNABDYOUGSGV-UITAMQMPSA-N -1 0 350.331 -0.602 20 0 FBADRM C/C(=C\COC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000825765077 601412673 /nfs/dbraw/zinc/41/26/73/601412673.db2.gz LXJNABDYOUGSGV-WEVVVXLNSA-N -1 0 350.331 -0.602 20 0 FBADRM C[C@@]1(c2ccc(CNC(=O)NC3CN(C(=O)[O-])C3)cc2)NC(=O)NC1=O ZINC000825765929 604582366 /nfs/dbraw/zinc/58/23/66/604582366.db2.gz BGRQMVPGPPBXRU-INIZCTEOSA-N -1 0 361.358 -0.097 20 0 FBADRM C[C@]1(c2ccc(CNC(=O)NC3CN(C(=O)[O-])C3)cc2)NC(=O)NC1=O ZINC000825765930 604582479 /nfs/dbraw/zinc/58/24/79/604582479.db2.gz BGRQMVPGPPBXRU-MRXNPFEDSA-N -1 0 361.358 -0.097 20 0 FBADRM C[C@]1(c2ccc(NC(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])cc2)NC(=O)NC1=O ZINC000825766343 603661327 /nfs/dbraw/zinc/66/13/27/603661327.db2.gz OWQIQOYJUAJYHP-GLKRBJQHSA-N -1 0 362.342 -0.207 20 0 FBADRM C[C@]1(c2ccc(NC(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])cc2)NC(=O)NC1=O ZINC000825766347 603661283 /nfs/dbraw/zinc/66/12/83/603661283.db2.gz OWQIQOYJUAJYHP-LYOVBCGYSA-N -1 0 362.342 -0.207 20 0 FBADRM C[C@]1(c2ccc(NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])cc2)NC(=O)NC1=O ZINC000825766349 603661500 /nfs/dbraw/zinc/66/15/00/603661500.db2.gz OWQIQOYJUAJYHP-OHUAYANFSA-N -1 0 362.342 -0.207 20 0 FBADRM C[C@]1(c2ccc(NC(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])cc2)NC(=O)NC1=O ZINC000825766351 603661376 /nfs/dbraw/zinc/66/13/76/603661376.db2.gz OWQIQOYJUAJYHP-XMZIXOGTSA-N -1 0 362.342 -0.207 20 0 FBADRM CC1(OC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CN(C(=O)[O-])C1 ZINC000825766402 604220539 /nfs/dbraw/zinc/22/05/39/604220539.db2.gz PLCWVLXDCNCCHJ-UHFFFAOYSA-N -1 0 356.356 -0.145 20 0 FBADRM C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC2CN(C(=O)[O-])C2)C1=O ZINC000825772749 603470364 /nfs/dbraw/zinc/47/03/64/603470364.db2.gz PTVXMKUNMCAVOO-INIZCTEOSA-N -1 0 362.342 -0.136 20 0 FBADRM C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC2CN(C(=O)[O-])C2)C1=O ZINC000825772750 603470506 /nfs/dbraw/zinc/47/05/06/603470506.db2.gz PTVXMKUNMCAVOO-MRXNPFEDSA-N -1 0 362.342 -0.136 20 0 FBADRM C[C@]1(c2ccccc2)NC(=O)N(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000825773020 605246610 /nfs/dbraw/zinc/24/66/10/605246610.db2.gz VRLKSHUPQRGNDJ-BDJLRTHQSA-N -1 0 362.342 -0.136 20 0 FBADRM C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000825773021 605246834 /nfs/dbraw/zinc/24/68/34/605246834.db2.gz VRLKSHUPQRGNDJ-BZNIZROVSA-N -1 0 362.342 -0.136 20 0 FBADRM C[C@]1(c2ccccc2)NC(=O)N(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000825773022 605246935 /nfs/dbraw/zinc/24/69/35/605246935.db2.gz VRLKSHUPQRGNDJ-MEDUHNTESA-N -1 0 362.342 -0.136 20 0 FBADRM C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000825773023 605246766 /nfs/dbraw/zinc/24/67/66/605246766.db2.gz VRLKSHUPQRGNDJ-ZBEGNZNMSA-N -1 0 362.342 -0.136 20 0 FBADRM CCc1oc(C(=O)OC)cc1Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC000825776371 608095702 /nfs/dbraw/zinc/09/57/02/608095702.db2.gz HGKNDQJWJCWDNW-UHFFFAOYSA-N -1 0 360.330 -0.283 20 0 FBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O ZINC000825777794 603604850 /nfs/dbraw/zinc/60/48/50/603604850.db2.gz CHGVDSKXASLYFK-GRYCIOLGSA-N -1 0 360.436 -0.449 20 0 FBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O ZINC000825777795 603604823 /nfs/dbraw/zinc/60/48/23/603604823.db2.gz CHGVDSKXASLYFK-IJLUTSLNSA-N -1 0 360.436 -0.449 20 0 FBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O ZINC000825777796 603604185 /nfs/dbraw/zinc/60/41/85/603604185.db2.gz CHGVDSKXASLYFK-UTUOFQBUSA-N -1 0 360.436 -0.449 20 0 FBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O ZINC000825777797 603604221 /nfs/dbraw/zinc/60/42/21/603604221.db2.gz CHGVDSKXASLYFK-WOPDTQHZSA-N -1 0 360.436 -0.449 20 0 FBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000825778148 603998540 /nfs/dbraw/zinc/99/85/40/603998540.db2.gz ILRBQSFJLNDOST-NEPJUHHUSA-N -1 0 362.452 -0.501 20 0 FBADRM C[C@@H]1[C@H](C)N(C(=O)NCCN2CCN(C(=O)[O-])CC2)CCS1(=O)=O ZINC000825778149 603998443 /nfs/dbraw/zinc/99/84/43/603998443.db2.gz ILRBQSFJLNDOST-NWDGAFQWSA-N -1 0 362.452 -0.501 20 0 FBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000825778150 603998271 /nfs/dbraw/zinc/99/82/71/603998271.db2.gz ILRBQSFJLNDOST-RYUDHWBXSA-N -1 0 362.452 -0.501 20 0 FBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000825778151 603998748 /nfs/dbraw/zinc/99/87/48/603998748.db2.gz ILRBQSFJLNDOST-VXGBXAGGSA-N -1 0 362.452 -0.501 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)[C@H]2COCCN2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000825788760 603206441 /nfs/dbraw/zinc/20/64/41/603206441.db2.gz JXUFMTIUYIGBAE-ADEWGFFLSA-N -1 0 351.363 -0.591 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)[C@@H]2COCCN2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000825788766 603206296 /nfs/dbraw/zinc/20/62/96/603206296.db2.gz JXUFMTIUYIGBAE-JLLWLGSASA-N -1 0 351.363 -0.591 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)[C@@H]2COCCN2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000825788768 603206564 /nfs/dbraw/zinc/20/65/64/603206564.db2.gz JXUFMTIUYIGBAE-USWWRNFRSA-N -1 0 351.363 -0.591 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)[C@H]2COCCN2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000825788770 603206570 /nfs/dbraw/zinc/20/65/70/603206570.db2.gz JXUFMTIUYIGBAE-YUSALJHKSA-N -1 0 351.363 -0.591 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)C(=O)N1c1cnn(C)c1 ZINC000825789507 604878193 /nfs/dbraw/zinc/87/81/93/604878193.db2.gz OOJQWRANPQHKSV-KGYLQXTDSA-N -1 0 365.390 -0.201 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C(=O)N1c1cnn(C)c1 ZINC000825789508 604878469 /nfs/dbraw/zinc/87/84/69/604878469.db2.gz OOJQWRANPQHKSV-RAIGVLPGSA-N -1 0 365.390 -0.201 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C(=O)N1c1cnn(C)c1 ZINC000825789509 604878196 /nfs/dbraw/zinc/87/81/96/604878196.db2.gz OOJQWRANPQHKSV-RTXFEEFZSA-N -1 0 365.390 -0.201 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)C(=O)N1c1cnn(C)c1 ZINC000825789510 604878214 /nfs/dbraw/zinc/87/82/14/604878214.db2.gz OOJQWRANPQHKSV-WXHSDQCUSA-N -1 0 365.390 -0.201 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)[C@H]2CN(C(=O)[O-])CCO2)C(=O)N1c1cnn(C)c1 ZINC000825789790 604878122 /nfs/dbraw/zinc/87/81/22/604878122.db2.gz RKHJRIUOUYRDLL-ADEWGFFLSA-N -1 0 351.363 -0.591 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C(=O)N1c1cnn(C)c1 ZINC000825789791 604878355 /nfs/dbraw/zinc/87/83/55/604878355.db2.gz RKHJRIUOUYRDLL-JLLWLGSASA-N -1 0 351.363 -0.591 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C(=O)N1c1cnn(C)c1 ZINC000825789792 604878317 /nfs/dbraw/zinc/87/83/17/604878317.db2.gz RKHJRIUOUYRDLL-USWWRNFRSA-N -1 0 351.363 -0.591 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)[C@H]2CN(C(=O)[O-])CCO2)C(=O)N1c1cnn(C)c1 ZINC000825789793 604878389 /nfs/dbraw/zinc/87/83/89/604878389.db2.gz RKHJRIUOUYRDLL-YUSALJHKSA-N -1 0 351.363 -0.591 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000825790716 603866188 /nfs/dbraw/zinc/86/61/88/603866188.db2.gz XEVYFGWEKOYFIZ-KXGXSXBTSA-N -1 0 351.363 -0.857 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000825790717 603866455 /nfs/dbraw/zinc/86/64/55/603866455.db2.gz XEVYFGWEKOYFIZ-NUGNTBJXSA-N -1 0 351.363 -0.857 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000825790718 603866262 /nfs/dbraw/zinc/86/62/62/603866262.db2.gz XEVYFGWEKOYFIZ-QTKMDUPCSA-N -1 0 351.363 -0.857 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000825790719 603866063 /nfs/dbraw/zinc/86/60/63/603866063.db2.gz XEVYFGWEKOYFIZ-YJQGPUDQSA-N -1 0 351.363 -0.857 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)COC2CN(C(=O)[O-])C2)C(=O)N1c1cnn(C)c1 ZINC000825794373 604021497 /nfs/dbraw/zinc/02/14/97/604021497.db2.gz JRGPFGXGWKEKJC-BXKDBHETSA-N -1 0 351.363 -0.591 20 0 FBADRM C[C@H]1C[C@H](NC(=O)COC2CN(C(=O)[O-])C2)C(=O)N1c1cnn(C)c1 ZINC000825794374 604021584 /nfs/dbraw/zinc/02/15/84/604021584.db2.gz JRGPFGXGWKEKJC-CABZTGNLSA-N -1 0 351.363 -0.591 20 0 FBADRM C[C@H]1C[C@@H](NC(=O)COC2CN(C(=O)[O-])C2)C(=O)N1c1cnn(C)c1 ZINC000825794375 604021369 /nfs/dbraw/zinc/02/13/69/604021369.db2.gz JRGPFGXGWKEKJC-JOYOIKCWSA-N -1 0 351.363 -0.591 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)COC2CN(C(=O)[O-])C2)C(=O)N1c1cnn(C)c1 ZINC000825794376 604021940 /nfs/dbraw/zinc/02/19/40/604021940.db2.gz JRGPFGXGWKEKJC-SKDRFNHKSA-N -1 0 351.363 -0.591 20 0 FBADRM CC1CC(NC(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)C1 ZINC000825795223 604884444 /nfs/dbraw/zinc/88/44/44/604884444.db2.gz UHJPCRNLRCGBPD-UHFFFAOYSA-N -1 0 360.436 -0.196 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(C(=O)[O-])C2)C(=O)N1c1cnn(C)c1 ZINC000825795224 603786940 /nfs/dbraw/zinc/78/69/40/603786940.db2.gz UHPDVICIAWJLMO-CKYFFXLPSA-N -1 0 350.379 -0.035 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C(=O)[O-])C2)C(=O)N1c1cnn(C)c1 ZINC000825795225 603786863 /nfs/dbraw/zinc/78/68/63/603786863.db2.gz UHPDVICIAWJLMO-FOGDFJRCSA-N -1 0 350.379 -0.035 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(C(=O)[O-])C2)C(=O)N1c1cnn(C)c1 ZINC000825795226 603787014 /nfs/dbraw/zinc/78/70/14/603787014.db2.gz UHPDVICIAWJLMO-JFGNBEQYSA-N -1 0 350.379 -0.035 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C(=O)[O-])C2)C(=O)N1c1cnn(C)c1 ZINC000825795227 603786600 /nfs/dbraw/zinc/78/66/00/603786600.db2.gz UHPDVICIAWJLMO-SCVCMEIPSA-N -1 0 350.379 -0.035 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](NC(=O)[O-])C2)C(=O)N1c1cnn(C)c1 ZINC000825795919 604606288 /nfs/dbraw/zinc/60/62/88/604606288.db2.gz YPFSQKNBERYJCG-CKYFFXLPSA-N -1 0 350.379 -0.035 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](NC(=O)[O-])C2)C(=O)N1c1cnn(C)c1 ZINC000825795921 604606043 /nfs/dbraw/zinc/60/60/43/604606043.db2.gz YPFSQKNBERYJCG-FOGDFJRCSA-N -1 0 350.379 -0.035 20 0 FBADRM C[C@H]1C[C@@H](NC(=O)N2CC[C@@H](NC(=O)[O-])C2)C(=O)N1c1cnn(C)c1 ZINC000825795923 604606135 /nfs/dbraw/zinc/60/61/35/604606135.db2.gz YPFSQKNBERYJCG-HOSYDEDBSA-N -1 0 350.379 -0.035 20 0 FBADRM C[C@H]1C[C@@H](NC(=O)N2CC[C@H](NC(=O)[O-])C2)C(=O)N1c1cnn(C)c1 ZINC000825795926 605105261 /nfs/dbraw/zinc/10/52/61/605105261.db2.gz YPFSQKNBERYJCG-JBLDHEPKSA-N -1 0 350.379 -0.035 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](NC(=O)[O-])C2)C(=O)N1c1cnn(C)c1 ZINC000825795928 605105367 /nfs/dbraw/zinc/10/53/67/605105367.db2.gz YPFSQKNBERYJCG-JFGNBEQYSA-N -1 0 350.379 -0.035 20 0 FBADRM C[C@H]1C[C@H](NC(=O)N2CC[C@H](NC(=O)[O-])C2)C(=O)N1c1cnn(C)c1 ZINC000825795930 605104952 /nfs/dbraw/zinc/10/49/52/605104952.db2.gz YPFSQKNBERYJCG-NHCYSSNCSA-N -1 0 350.379 -0.035 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)N2CC[C@H](NC(=O)[O-])C2)C(=O)N1c1cnn(C)c1 ZINC000825795932 605105432 /nfs/dbraw/zinc/10/54/32/605105432.db2.gz YPFSQKNBERYJCG-SCVCMEIPSA-N -1 0 350.379 -0.035 20 0 FBADRM C[C@H]1C[C@H](NC(=O)N2CC[C@@H](NC(=O)[O-])C2)C(=O)N1c1cnn(C)c1 ZINC000825795934 604606030 /nfs/dbraw/zinc/60/60/30/604606030.db2.gz YPFSQKNBERYJCG-UMNHJUIQSA-N -1 0 350.379 -0.035 20 0 FBADRM C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)[O-])CC2)C(=O)N1c1cnn(C)c1 ZINC000825795972 603439100 /nfs/dbraw/zinc/43/91/00/603439100.db2.gz ZBLTVSGXXFHEAF-CMPLNLGQSA-N -1 0 350.379 -0.081 20 0 FBADRM C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)[O-])CC2)C(=O)N1c1cnn(C)c1 ZINC000825795975 603439222 /nfs/dbraw/zinc/43/92/22/603439222.db2.gz ZBLTVSGXXFHEAF-JQWIXIFHSA-N -1 0 350.379 -0.081 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[O-])CC2)C(=O)N1c1cnn(C)c1 ZINC000825795976 603439119 /nfs/dbraw/zinc/43/91/19/603439119.db2.gz ZBLTVSGXXFHEAF-PWSUYJOCSA-N -1 0 350.379 -0.081 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[O-])CC2)C(=O)N1c1cnn(C)c1 ZINC000825795977 603439092 /nfs/dbraw/zinc/43/90/92/603439092.db2.gz ZBLTVSGXXFHEAF-ZYHUDNBSSA-N -1 0 350.379 -0.081 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC2(CS(C)(=O)=O)CCC2)c1=O ZINC000825796397 607808643 /nfs/dbraw/zinc/80/86/43/607808643.db2.gz FAYXUGVIVXDDDS-UHFFFAOYSA-N -1 0 368.419 -0.575 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC2CCS(=O)(=O)CC2)c1=O ZINC000825796400 608014217 /nfs/dbraw/zinc/01/42/17/608014217.db2.gz FCTZMNJBMDJNHV-UHFFFAOYSA-N -1 0 354.392 -0.965 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC2(CS(C)(=O)=O)CC2)c1=O ZINC000825796553 608014161 /nfs/dbraw/zinc/01/41/61/608014161.db2.gz HDCJNHNNEYDFSU-UHFFFAOYSA-N -1 0 354.392 -0.965 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC(C)(C)CS(C)(=O)=O)c1=O ZINC000825796781 607562843 /nfs/dbraw/zinc/56/28/43/607562843.db2.gz NPHUHYRAHOSPFC-UHFFFAOYSA-N -1 0 356.408 -0.719 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC(=O)c2c[nH]c3ncccc23)c1=O ZINC000825797126 608470845 /nfs/dbraw/zinc/47/08/45/608470845.db2.gz VCSSERIOJBFSPQ-UHFFFAOYSA-N -1 0 366.341 -0.031 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@H]2CC(C(=O)OC)=C(C)O2)c1=O ZINC000825797213 608014164 /nfs/dbraw/zinc/01/41/64/608014164.db2.gz YSRTZYCGVQOZGC-SECBINFHSA-N -1 0 362.346 -0.554 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(C[C@@H]2CC(C(=O)OC)=C(C)O2)c1=O ZINC000825797214 608014238 /nfs/dbraw/zinc/01/42/38/608014238.db2.gz YSRTZYCGVQOZGC-VIFPVBQESA-N -1 0 362.346 -0.554 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2ccccc2CC(=O)OC)c1=O ZINC000825799490 607711487 /nfs/dbraw/zinc/71/14/87/607711487.db2.gz MOLJODQNUVRPPR-UHFFFAOYSA-N -1 0 370.369 -0.026 20 0 FBADRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2ncn(-c3ccccc3)n2)c1=O ZINC000825799630 608885553 /nfs/dbraw/zinc/88/55/53/608885553.db2.gz NXJZTFYJTDYONE-UHFFFAOYSA-N -1 0 365.357 -0.161 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000825800238 605760086 /nfs/dbraw/zinc/76/00/86/605760086.db2.gz BZSPSZKCAIBORS-DJVCXFJCSA-N -1 0 350.375 -0.256 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000825800239 605759863 /nfs/dbraw/zinc/75/98/63/605759863.db2.gz BZSPSZKCAIBORS-PRANIUCASA-N -1 0 350.375 -0.256 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000825800240 605760110 /nfs/dbraw/zinc/76/01/10/605760110.db2.gz BZSPSZKCAIBORS-SFLCEZBHSA-N -1 0 350.375 -0.256 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000825800241 605760024 /nfs/dbraw/zinc/76/00/24/605760024.db2.gz BZSPSZKCAIBORS-ZHLVKLTDSA-N -1 0 350.375 -0.256 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[nH]n3)[nH]2)nc1C ZINC000825804459 608821914 /nfs/dbraw/zinc/82/19/14/608821914.db2.gz BJILEBIZBBLHEW-UHFFFAOYSA-N -1 0 350.364 -0.162 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[nH]n3)cn2C)nc1C ZINC000825804895 608822343 /nfs/dbraw/zinc/82/23/43/608822343.db2.gz JNACBIYAWJRGHK-UHFFFAOYSA-N -1 0 364.391 -0.151 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[nH]n3)c2)nc1C ZINC000825805061 661106025 /nfs/dbraw/zinc/10/60/25/661106025.db2.gz PXDCWLNSWDXLAA-UHFFFAOYSA-N -1 0 350.364 -0.162 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[nH]n3)nc2)nc1C ZINC000825805101 608822022 /nfs/dbraw/zinc/82/20/22/608822022.db2.gz RORUMRCAWCQMAT-UHFFFAOYSA-N -1 0 362.375 -0.095 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000825807744 605459055 /nfs/dbraw/zinc/45/90/55/605459055.db2.gz FOONWKWBTJZQLV-NXEZZACHSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000825807745 605458982 /nfs/dbraw/zinc/45/89/82/605458982.db2.gz FOONWKWBTJZQLV-UWVGGRQHSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000825807746 605459040 /nfs/dbraw/zinc/45/90/40/605459040.db2.gz FOONWKWBTJZQLV-VHSXEESVSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000825807747 605459067 /nfs/dbraw/zinc/45/90/67/605459067.db2.gz FOONWKWBTJZQLV-ZJUUUORDSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000825808041 605354325 /nfs/dbraw/zinc/35/43/25/605354325.db2.gz HJKQLSDGMNMRBZ-NXEZZACHSA-N -1 0 359.408 -0.432 20 0 FBADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000825808046 605355144 /nfs/dbraw/zinc/35/51/44/605355144.db2.gz HJKQLSDGMNMRBZ-UWVGGRQHSA-N -1 0 359.408 -0.432 20 0 FBADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000825808048 605354316 /nfs/dbraw/zinc/35/43/16/605354316.db2.gz HJKQLSDGMNMRBZ-VHSXEESVSA-N -1 0 359.408 -0.432 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000825808050 605354640 /nfs/dbraw/zinc/35/46/40/605354640.db2.gz HJKQLSDGMNMRBZ-ZJUUUORDSA-N -1 0 359.408 -0.432 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000825809689 605456762 /nfs/dbraw/zinc/45/67/62/605456762.db2.gz PWXCZUBMFWXSED-NEPJUHHUSA-N -1 0 362.452 -0.789 20 0 FBADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000825809690 605457018 /nfs/dbraw/zinc/45/70/18/605457018.db2.gz PWXCZUBMFWXSED-NWDGAFQWSA-N -1 0 362.452 -0.789 20 0 FBADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000825809691 605457031 /nfs/dbraw/zinc/45/70/31/605457031.db2.gz PWXCZUBMFWXSED-RYUDHWBXSA-N -1 0 362.452 -0.789 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000825809692 605457047 /nfs/dbraw/zinc/45/70/47/605457047.db2.gz PWXCZUBMFWXSED-VXGBXAGGSA-N -1 0 362.452 -0.789 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000825810276 605362716 /nfs/dbraw/zinc/36/27/16/605362716.db2.gz UGAKHAHNUBYHAG-NXEZZACHSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000825810277 605362484 /nfs/dbraw/zinc/36/24/84/605362484.db2.gz UGAKHAHNUBYHAG-UWVGGRQHSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000825810278 605362582 /nfs/dbraw/zinc/36/25/82/605362582.db2.gz UGAKHAHNUBYHAG-VHSXEESVSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000825810280 605363104 /nfs/dbraw/zinc/36/31/04/605363104.db2.gz UGAKHAHNUBYHAG-ZJUUUORDSA-N -1 0 359.408 -0.655 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000825818545 605377561 /nfs/dbraw/zinc/37/75/61/605377561.db2.gz ZOPZSUQBYOBUSN-CHWSQXEVSA-N -1 0 355.439 -0.019 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000825818546 605377441 /nfs/dbraw/zinc/37/74/41/605377441.db2.gz ZOPZSUQBYOBUSN-OLZOCXBDSA-N -1 0 355.439 -0.019 20 0 FBADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000825818547 605377514 /nfs/dbraw/zinc/37/75/14/605377514.db2.gz ZOPZSUQBYOBUSN-QWHCGFSZSA-N -1 0 355.439 -0.019 20 0 FBADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000825818548 605377284 /nfs/dbraw/zinc/37/72/84/605377284.db2.gz ZOPZSUQBYOBUSN-STQMWFEESA-N -1 0 355.439 -0.019 20 0 FBADRM CC(=O)N(C)c1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1 ZINC000825819091 600693731 /nfs/dbraw/zinc/69/37/31/600693731.db2.gz CEBOEZQVKNLHQB-CYBMUJFWSA-N -1 0 369.399 -0.367 20 0 FBADRM CC(=O)N(C)c1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC000825819096 600693853 /nfs/dbraw/zinc/69/38/53/600693853.db2.gz CEBOEZQVKNLHQB-ZDUSSCGKSA-N -1 0 369.399 -0.367 20 0 FBADRM CC(=O)N(C)CC(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000825819775 601991229 /nfs/dbraw/zinc/99/12/29/601991229.db2.gz YXGWSVKAQIARQZ-UHFFFAOYSA-N -1 0 356.400 -0.220 20 0 FBADRM CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(-c2nn[nH]n2)cc1 ZINC000825820623 607435888 /nfs/dbraw/zinc/43/58/88/607435888.db2.gz MSABZIUCJDUFCR-UHFFFAOYSA-N -1 0 351.330 -0.086 20 0 FBADRM CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccccc1-c1nn[nH]n1 ZINC000825820664 607789025 /nfs/dbraw/zinc/78/90/25/607789025.db2.gz OFQKAHNRBKXCBE-UHFFFAOYSA-N -1 0 351.330 -0.086 20 0 FBADRM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(S(=O)(=O)CCCC(=O)[O-])C1 ZINC000825823014 604411315 /nfs/dbraw/zinc/41/13/15/604411315.db2.gz KEOZLGGTJXJCSZ-GFCCVEGCSA-N -1 0 374.419 -0.005 20 0 FBADRM CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(S(=O)(=O)CCCC(=O)[O-])C1 ZINC000825823015 604411515 /nfs/dbraw/zinc/41/15/15/604411515.db2.gz KEOZLGGTJXJCSZ-LBPRGKRZSA-N -1 0 374.419 -0.005 20 0 FBADRM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC000825824055 604411543 /nfs/dbraw/zinc/41/15/43/604411543.db2.gz ZXCUUZCUUGFZOH-BXKDBHETSA-N -1 0 374.419 -0.149 20 0 FBADRM CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC000825824060 604411465 /nfs/dbraw/zinc/41/14/65/604411465.db2.gz ZXCUUZCUUGFZOH-CABZTGNLSA-N -1 0 374.419 -0.149 20 0 FBADRM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC000825824062 604411587 /nfs/dbraw/zinc/41/15/87/604411587.db2.gz ZXCUUZCUUGFZOH-JOYOIKCWSA-N -1 0 374.419 -0.149 20 0 FBADRM CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC000825824064 604411588 /nfs/dbraw/zinc/41/15/88/604411588.db2.gz ZXCUUZCUUGFZOH-SKDRFNHKSA-N -1 0 374.419 -0.149 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCCOCCS(C)(=O)=O ZINC000825824169 605554457 /nfs/dbraw/zinc/55/44/57/605554457.db2.gz QGHGETASPCIMNZ-GHMZBOCLSA-N -1 0 351.425 -0.122 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCCOCCS(C)(=O)=O ZINC000825824170 605554420 /nfs/dbraw/zinc/55/44/20/605554420.db2.gz QGHGETASPCIMNZ-MNOVXSKESA-N -1 0 351.425 -0.122 20 0 FBADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCCOCCS(C)(=O)=O ZINC000825824171 605554441 /nfs/dbraw/zinc/55/44/41/605554441.db2.gz QGHGETASPCIMNZ-QWRGUYRKSA-N -1 0 351.425 -0.122 20 0 FBADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCCOCCS(C)(=O)=O ZINC000825824172 605554337 /nfs/dbraw/zinc/55/43/37/605554337.db2.gz QGHGETASPCIMNZ-WDEREUQCSA-N -1 0 351.425 -0.122 20 0 FBADRM CC(=O)N1CCN(CCNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000825839237 600771301 /nfs/dbraw/zinc/77/13/01/600771301.db2.gz BOAOZWLQTOUCAT-UHFFFAOYSA-N -1 0 358.420 -0.834 20 0 FBADRM CC(=O)N1CCN(CCNC(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000825839562 604474793 /nfs/dbraw/zinc/47/47/93/604474793.db2.gz DEFHDVQRAPTJMV-UHFFFAOYSA-N -1 0 368.415 -0.335 20 0 FBADRM CC(=O)N1CCN(CCNS(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000825839570 601216742 /nfs/dbraw/zinc/21/67/42/601216742.db2.gz DIMQADNKQRAIIE-UHFFFAOYSA-N -1 0 359.404 -0.271 20 0 FBADRM CC(=O)N1CCN(CCNS(=O)(=O)c2csc(C(=O)[O-])c2)CC1 ZINC000825839625 600710410 /nfs/dbraw/zinc/71/04/10/600710410.db2.gz FLICMKOBIQQXAI-UHFFFAOYSA-N -1 0 361.445 -0.111 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(S(=O)(=O)CCCC(=O)[O-])C[C@@H]2C)CC1 ZINC000825840049 601524082 /nfs/dbraw/zinc/52/40/82/601524082.db2.gz JFLRZKGRWVSKKJ-GXTWGEPZSA-N -1 0 361.464 -0.335 20 0 FBADRM CC(=O)N1CCN([C@H]2CN(S(=O)(=O)CCCC(=O)[O-])C[C@@H]2C)CC1 ZINC000825840050 601524630 /nfs/dbraw/zinc/52/46/30/601524630.db2.gz JFLRZKGRWVSKKJ-JSGCOSHPSA-N -1 0 361.464 -0.335 20 0 FBADRM CC(=O)N1CCN([C@H]2CN(S(=O)(=O)CCCC(=O)[O-])C[C@H]2C)CC1 ZINC000825840052 601524788 /nfs/dbraw/zinc/52/47/88/601524788.db2.gz JFLRZKGRWVSKKJ-OCCSQVGLSA-N -1 0 361.464 -0.335 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(S(=O)(=O)CCCC(=O)[O-])C[C@H]2C)CC1 ZINC000825840054 601524819 /nfs/dbraw/zinc/52/48/19/601524819.db2.gz JFLRZKGRWVSKKJ-TZMCWYRMSA-N -1 0 361.464 -0.335 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000825840351 600742311 /nfs/dbraw/zinc/74/23/11/600742311.db2.gz KGTCSVGYDWSLRP-UHFFFAOYSA-N -1 0 372.403 -0.928 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC000825840382 601066734 /nfs/dbraw/zinc/06/67/34/601066734.db2.gz KIRSSJGCJKOEAC-UHFFFAOYSA-N -1 0 366.378 -0.830 20 0 FBADRM CC(=O)N1CCN(CCNC(=O)C(=O)Nc2sccc2C(=O)[O-])CC1 ZINC000825840556 600869429 /nfs/dbraw/zinc/86/94/29/600869429.db2.gz LIPOVEDZVWOUBZ-UHFFFAOYSA-N -1 0 368.415 -0.335 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000825840636 601660722 /nfs/dbraw/zinc/66/07/22/601660722.db2.gz MDZSUBFDPRQXKR-AAEUAGOBSA-N -1 0 354.407 -0.571 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000825840638 601660636 /nfs/dbraw/zinc/66/06/36/601660636.db2.gz MDZSUBFDPRQXKR-DGCLKSJQSA-N -1 0 354.407 -0.571 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000825840640 601660829 /nfs/dbraw/zinc/66/08/29/601660829.db2.gz MDZSUBFDPRQXKR-WCQYABFASA-N -1 0 354.407 -0.571 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC000825840855 601660659 /nfs/dbraw/zinc/66/06/59/601660659.db2.gz MDZSUBFDPRQXKR-YPMHNXCESA-N -1 0 354.407 -0.571 20 0 FBADRM CC(=O)N1CCN(C(=O)CNc2ccc(C(=O)NCC(=O)[O-])cc2)CC1 ZINC000825841047 601186509 /nfs/dbraw/zinc/18/65/09/601186509.db2.gz OKLQAUHPIXJIJU-UHFFFAOYSA-N -1 0 362.386 -0.396 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(S(=O)(=O)C[C@H](C)C(=O)[O-])C[C@H]2C)CC1 ZINC000825841317 601800358 /nfs/dbraw/zinc/80/03/58/601800358.db2.gz PZCBSUFIEXLFSL-MBNYWOFBSA-N -1 0 361.464 -0.479 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C[C@@H]2C)CC1 ZINC000825841319 601800381 /nfs/dbraw/zinc/80/03/81/601800381.db2.gz PZCBSUFIEXLFSL-OUCADQQQSA-N -1 0 361.464 -0.479 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(S(=O)(=O)C[C@H](C)C(=O)[O-])C[C@@H]2C)CC1 ZINC000825841321 601800438 /nfs/dbraw/zinc/80/04/38/601800438.db2.gz PZCBSUFIEXLFSL-SGMGOOAPSA-N -1 0 361.464 -0.479 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C[C@H]2C)CC1 ZINC000825841323 601800205 /nfs/dbraw/zinc/80/02/05/601800205.db2.gz PZCBSUFIEXLFSL-YRGRVCCFSA-N -1 0 361.464 -0.479 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1 ZINC000825841422 602378552 /nfs/dbraw/zinc/37/85/52/602378552.db2.gz SBVSIBCCWTWLFI-UHFFFAOYSA-N -1 0 365.390 -0.074 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1 ZINC000825841559 602083387 /nfs/dbraw/zinc/08/33/87/602083387.db2.gz SWJLFTCDGTZEFR-INIZCTEOSA-N -1 0 354.407 -0.427 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000825841560 602083849 /nfs/dbraw/zinc/08/38/49/602083849.db2.gz SWJLFTCDGTZEFR-MRXNPFEDSA-N -1 0 354.407 -0.427 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC[C@@H]2CC(=O)[O-])CC1 ZINC000825841708 604511522 /nfs/dbraw/zinc/51/15/22/604511522.db2.gz VKVMGRYFGOLQME-CYBMUJFWSA-N -1 0 354.407 -0.284 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC[C@H]2CC(=O)[O-])CC1 ZINC000825841709 604511543 /nfs/dbraw/zinc/51/15/43/604511543.db2.gz VKVMGRYFGOLQME-ZDUSSCGKSA-N -1 0 354.407 -0.284 20 0 FBADRM CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[nH]n2)cn1C ZINC000825846140 608415026 /nfs/dbraw/zinc/41/50/26/608415026.db2.gz SOFPYRAVISTIMP-UHFFFAOYSA-N -1 0 365.379 -0.569 20 0 FBADRM CN(C)C(=O)N1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC000825846317 609263912 /nfs/dbraw/zinc/26/39/12/609263912.db2.gz WBNVYSDQFCSEON-UHFFFAOYSA-N -1 0 362.398 -0.937 20 0 FBADRM CN(C)C(=O)c1cccc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)c1 ZINC000825850703 608095570 /nfs/dbraw/zinc/09/55/70/608095570.db2.gz QTPITOWPCNXABM-UHFFFAOYSA-N -1 0 355.358 -0.523 20 0 FBADRM CC(=O)N[C@@H](C)C(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000825853728 601973127 /nfs/dbraw/zinc/97/31/27/601973127.db2.gz HLERXHLEYKQHOB-JTQLQIEISA-N -1 0 356.400 -0.173 20 0 FBADRM CC(=O)N[C@H](C)C(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000825853729 601973018 /nfs/dbraw/zinc/97/30/18/601973018.db2.gz HLERXHLEYKQHOB-SNVBAGLBSA-N -1 0 356.400 -0.173 20 0 FBADRM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1=O ZINC000825859291 604164222 /nfs/dbraw/zinc/16/42/22/604164222.db2.gz FBHROOCNRCMXTF-GRYCIOLGSA-N -1 0 367.406 -0.883 20 0 FBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1=O ZINC000825859293 604164172 /nfs/dbraw/zinc/16/41/72/604164172.db2.gz FBHROOCNRCMXTF-IJLUTSLNSA-N -1 0 367.406 -0.883 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1=O ZINC000825859295 604164616 /nfs/dbraw/zinc/16/46/16/604164616.db2.gz FBHROOCNRCMXTF-UTUOFQBUSA-N -1 0 367.406 -0.883 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1=O ZINC000825859296 604164361 /nfs/dbraw/zinc/16/43/61/604164361.db2.gz FBHROOCNRCMXTF-WOPDTQHZSA-N -1 0 367.406 -0.883 20 0 FBADRM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NCCCN2CCN(C(=O)[O-])CC2)CC1=O ZINC000825860657 604164587 /nfs/dbraw/zinc/16/45/87/604164587.db2.gz KWSLBCUEKJWAII-HZSPNIEDSA-N -1 0 367.450 -0.019 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NCCCN2CCN(C(=O)[O-])CC2)CC1=O ZINC000825860658 604164548 /nfs/dbraw/zinc/16/45/48/604164548.db2.gz KWSLBCUEKJWAII-MCIONIFRSA-N -1 0 367.450 -0.019 20 0 FBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NCCCN2CCN(C(=O)[O-])CC2)CC1=O ZINC000825860659 604164440 /nfs/dbraw/zinc/16/44/40/604164440.db2.gz KWSLBCUEKJWAII-MGPQQGTHSA-N -1 0 367.450 -0.019 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NCCCN2CCN(C(=O)[O-])CC2)CC1=O ZINC000825860660 604164231 /nfs/dbraw/zinc/16/42/31/604164231.db2.gz KWSLBCUEKJWAII-RDBSUJKOSA-N -1 0 367.450 -0.019 20 0 FBADRM C[C@@H]1C[C@@H]1CNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000825861255 604876966 /nfs/dbraw/zinc/87/69/66/604876966.db2.gz QYKJVRFFNLKCBP-GHMZBOCLSA-N -1 0 360.436 -0.338 20 0 FBADRM C[C@@H]1C[C@H]1CNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000825861256 604877060 /nfs/dbraw/zinc/87/70/60/604877060.db2.gz QYKJVRFFNLKCBP-MNOVXSKESA-N -1 0 360.436 -0.338 20 0 FBADRM C[C@H]1C[C@H]1CNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000825861257 604877002 /nfs/dbraw/zinc/87/70/02/604877002.db2.gz QYKJVRFFNLKCBP-QWRGUYRKSA-N -1 0 360.436 -0.338 20 0 FBADRM C[C@H]1C[C@@H]1CNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000825861258 604876958 /nfs/dbraw/zinc/87/69/58/604876958.db2.gz QYKJVRFFNLKCBP-WDEREUQCSA-N -1 0 360.436 -0.338 20 0 FBADRM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)N(C)CCN2CCN(C(=O)[O-])CC2)CC1=O ZINC000825861271 604180521 /nfs/dbraw/zinc/18/05/21/604180521.db2.gz RCDYORUAAMPTLD-HZSPNIEDSA-N -1 0 367.450 -0.067 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N(C)CCN2CCN(C(=O)[O-])CC2)CC1=O ZINC000825861272 604180502 /nfs/dbraw/zinc/18/05/02/604180502.db2.gz RCDYORUAAMPTLD-MCIONIFRSA-N -1 0 367.450 -0.067 20 0 FBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N(C)CCN2CCN(C(=O)[O-])CC2)CC1=O ZINC000825861273 604180432 /nfs/dbraw/zinc/18/04/32/604180432.db2.gz RCDYORUAAMPTLD-MGPQQGTHSA-N -1 0 367.450 -0.067 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N(C)CCN2CCN(C(=O)[O-])CC2)CC1=O ZINC000825861274 604180620 /nfs/dbraw/zinc/18/06/20/604180620.db2.gz RCDYORUAAMPTLD-RDBSUJKOSA-N -1 0 367.450 -0.067 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NCCN2CCN(C(=O)[O-])CC2)CC1=O ZINC000825861738 604166784 /nfs/dbraw/zinc/16/67/84/604166784.db2.gz XLQNCKWRPUJWQN-AGIUHOORSA-N -1 0 353.423 -0.410 20 0 FBADRM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NCCN2CCN(C(=O)[O-])CC2)CC1=O ZINC000825861739 604166746 /nfs/dbraw/zinc/16/67/46/604166746.db2.gz XLQNCKWRPUJWQN-FRRDWIJNSA-N -1 0 353.423 -0.410 20 0 FBADRM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NCCN2CCN(C(=O)[O-])CC2)CC1=O ZINC000825861740 604166793 /nfs/dbraw/zinc/16/67/93/604166793.db2.gz XLQNCKWRPUJWQN-JHJVBQTASA-N -1 0 353.423 -0.410 20 0 FBADRM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NCCN2CCN(C(=O)[O-])CC2)CC1=O ZINC000825861741 604166940 /nfs/dbraw/zinc/16/69/40/604166940.db2.gz XLQNCKWRPUJWQN-UPJWGTAASA-N -1 0 353.423 -0.410 20 0 FBADRM C[C@H]1CC[C@H](C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)O1 ZINC000825865354 604387335 /nfs/dbraw/zinc/38/73/35/604387335.db2.gz IIVZVFZAWUULFB-CMPLNLGQSA-N -1 0 361.420 -0.610 20 0 FBADRM C[C@H]1CC[C@@H](C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)O1 ZINC000825865455 604387013 /nfs/dbraw/zinc/38/70/13/604387013.db2.gz IIVZVFZAWUULFB-JQWIXIFHSA-N -1 0 361.420 -0.610 20 0 FBADRM C[C@@H]1CC[C@@H](C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)O1 ZINC000825865456 604387210 /nfs/dbraw/zinc/38/72/10/604387210.db2.gz IIVZVFZAWUULFB-PWSUYJOCSA-N -1 0 361.420 -0.610 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)O1 ZINC000825865457 604387322 /nfs/dbraw/zinc/38/73/22/604387322.db2.gz IIVZVFZAWUULFB-ZYHUDNBSSA-N -1 0 361.420 -0.610 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NCC(CNC(=O)[C@H]2CC[C@@H](C)O2)NC(=O)[O-])O1 ZINC000825867809 604387088 /nfs/dbraw/zinc/38/70/88/604387088.db2.gz XSCWRRSCTPCBTJ-FPQZTECRSA-N -1 0 357.407 -0.010 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC[C@@H](CNC(=O)[C@H]2CC[C@H](C)O2)NC(=O)[O-])O1 ZINC000825867812 604387053 /nfs/dbraw/zinc/38/70/53/604387053.db2.gz XSCWRRSCTPCBTJ-KSSYENDESA-N -1 0 357.407 -0.010 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC[C@@H](CNC(=O)[C@@H]2CC[C@@H](C)O2)NC(=O)[O-])O1 ZINC000825867814 604387309 /nfs/dbraw/zinc/38/73/09/604387309.db2.gz XSCWRRSCTPCBTJ-NJMOYASZSA-N -1 0 357.407 -0.010 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC[C@@H](CNC(=O)[C@@H]2CC[C@H](C)O2)NC(=O)[O-])O1 ZINC000825867816 604387464 /nfs/dbraw/zinc/38/74/64/604387464.db2.gz XSCWRRSCTPCBTJ-PNWMVKDVSA-N -1 0 357.407 -0.010 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)O[C@H](C)c1cn(CC(=O)[O-])nn1 ZINC000825871189 604692053 /nfs/dbraw/zinc/69/20/53/604692053.db2.gz NDXGVMSEZQVQDD-BXKDBHETSA-N -1 0 367.362 -0.906 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1 ZINC000825871190 604691966 /nfs/dbraw/zinc/69/19/66/604691966.db2.gz NDXGVMSEZQVQDD-CABZTGNLSA-N -1 0 367.362 -0.906 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1 ZINC000825871191 604692089 /nfs/dbraw/zinc/69/20/89/604692089.db2.gz NDXGVMSEZQVQDD-JOYOIKCWSA-N -1 0 367.362 -0.906 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)O[C@H](C)c1cn(CC(=O)[O-])nn1 ZINC000825871192 604691993 /nfs/dbraw/zinc/69/19/93/604691993.db2.gz NDXGVMSEZQVQDD-SKDRFNHKSA-N -1 0 367.362 -0.906 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)CCO1 ZINC000825875572 601167024 /nfs/dbraw/zinc/16/70/24/601167024.db2.gz DGYAHXDKDHULSS-CYBMUJFWSA-N -1 0 363.370 -0.005 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)CCO1 ZINC000825875575 601167014 /nfs/dbraw/zinc/16/70/14/601167014.db2.gz DGYAHXDKDHULSS-ZDUSSCGKSA-N -1 0 363.370 -0.005 20 0 FBADRM CC(=O)NCCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000825875591 604816771 /nfs/dbraw/zinc/81/67/71/604816771.db2.gz DYIONIDWSCTCSM-UHFFFAOYSA-N -1 0 357.750 -0.006 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCO1 ZINC000825875602 601858407 /nfs/dbraw/zinc/85/84/07/601858407.db2.gz FTWOTHQOGFJINS-LLVKDONJSA-N -1 0 367.333 -0.174 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCO1 ZINC000825875603 601858766 /nfs/dbraw/zinc/85/87/66/601858766.db2.gz FTWOTHQOGFJINS-NSHDSACASA-N -1 0 367.333 -0.174 20 0 FBADRM CC(=O)NCCNC(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000825875983 602056069 /nfs/dbraw/zinc/05/60/69/602056069.db2.gz PEXYIQSNNOIHCC-UHFFFAOYSA-N -1 0 371.415 -0.379 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2sccc2C(=O)[O-])CCO1 ZINC000825876308 600896306 /nfs/dbraw/zinc/89/63/06/600896306.db2.gz VBVNYCMQTBNLIK-SECBINFHSA-N -1 0 355.372 -0.252 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2sccc2C(=O)[O-])CCO1 ZINC000825876313 600896252 /nfs/dbraw/zinc/89/62/52/600896252.db2.gz VBVNYCMQTBNLIK-VIFPVBQESA-N -1 0 355.372 -0.252 20 0 FBADRM CC(=O)NCCNC(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000825876344 601147437 /nfs/dbraw/zinc/14/74/37/601147437.db2.gz VYGZEMSYUQISIV-JTQLQIEISA-N -1 0 354.388 -0.013 20 0 FBADRM CC(=O)NCCNC(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000825876346 601147381 /nfs/dbraw/zinc/14/73/81/601147381.db2.gz VYGZEMSYUQISIV-SNVBAGLBSA-N -1 0 354.388 -0.013 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CCO1 ZINC000825876456 604540641 /nfs/dbraw/zinc/54/06/41/604540641.db2.gz XLMOZYKTDHNWNX-JTQLQIEISA-N -1 0 355.372 -0.252 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CCO1 ZINC000825876457 604540673 /nfs/dbraw/zinc/54/06/73/604540673.db2.gz XLMOZYKTDHNWNX-SNVBAGLBSA-N -1 0 355.372 -0.252 20 0 FBADRM CC(=O)N[C@@H](CC(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1)C(N)=O ZINC000825879459 600940615 /nfs/dbraw/zinc/94/06/15/600940615.db2.gz UOLZGDNXBHDRFR-LBPRGKRZSA-N -1 0 357.313 -0.242 20 0 FBADRM CC(=O)NCc1ccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000825879471 601493043 /nfs/dbraw/zinc/49/30/43/601493043.db2.gz VQJMSPFPGWBULT-AWEZNQCLSA-N -1 0 363.370 -0.037 20 0 FBADRM CC(=O)NCc1ccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000825879472 601493019 /nfs/dbraw/zinc/49/30/19/601493019.db2.gz VQJMSPFPGWBULT-CQSZACIVSA-N -1 0 363.370 -0.037 20 0 FBADRM CC(=O)N[C@@H](CC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-])C(N)=O ZINC000825879530 600936368 /nfs/dbraw/zinc/93/63/68/600936368.db2.gz XXGVRXZONQNKHJ-AAEUAGOBSA-N -1 0 353.350 -0.435 20 0 FBADRM CC(=O)N[C@@H](CC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-])C(N)=O ZINC000825879631 600936300 /nfs/dbraw/zinc/93/63/00/600936300.db2.gz XXGVRXZONQNKHJ-YPMHNXCESA-N -1 0 353.350 -0.435 20 0 FBADRM CN(C)c1cccc(CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)n1 ZINC000825879736 607852017 /nfs/dbraw/zinc/85/20/17/607852017.db2.gz QAFWFQAVYROWSH-UHFFFAOYSA-N -1 0 357.378 -0.663 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)C1CC1 ZINC000825892333 607985200 /nfs/dbraw/zinc/98/52/00/607985200.db2.gz KJEHQTKBSSJHNL-UHFFFAOYSA-N -1 0 364.387 -0.460 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)C1CC1 ZINC000825893027 607985183 /nfs/dbraw/zinc/98/51/83/607985183.db2.gz ZRKHWGNTDNQARX-UHFFFAOYSA-N -1 0 364.387 -0.460 20 0 FBADRM CN(CC(C)(C)CN1CCOCC1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000825897010 607768686 /nfs/dbraw/zinc/76/86/86/607768686.db2.gz AYWBFHOSULUFSX-UHFFFAOYSA-N -1 0 363.426 -0.725 20 0 FBADRM CN(CC(=O)[O-])C(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000825897472 609156829 /nfs/dbraw/zinc/15/68/29/609156829.db2.gz GNROQCXBABZXKP-UHFFFAOYSA-N -1 0 360.378 -0.044 20 0 FBADRM CN(CC(=O)OC(C)(C)C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000825897644 608584021 /nfs/dbraw/zinc/58/40/21/608584021.db2.gz JKHQOEQYYMNSRH-UHFFFAOYSA-N -1 0 351.367 -0.958 20 0 FBADRM C[C@H]1CCCN(C(=O)C2CCN(S(N)(=O)=O)CC2)[C@@H]1CNC(=O)[O-] ZINC000825904074 603693566 /nfs/dbraw/zinc/69/35/66/603693566.db2.gz AXSCEVGQRHYZOL-CMPLNLGQSA-N -1 0 362.452 -0.203 20 0 FBADRM C[C@H]1CCCN(C(=O)C2CCN(S(N)(=O)=O)CC2)[C@H]1CNC(=O)[O-] ZINC000825904075 603693899 /nfs/dbraw/zinc/69/38/99/603693899.db2.gz AXSCEVGQRHYZOL-JQWIXIFHSA-N -1 0 362.452 -0.203 20 0 FBADRM C[C@@H]1CCCN(C(=O)C2CCN(S(N)(=O)=O)CC2)[C@H]1CNC(=O)[O-] ZINC000825904076 603693548 /nfs/dbraw/zinc/69/35/48/603693548.db2.gz AXSCEVGQRHYZOL-PWSUYJOCSA-N -1 0 362.452 -0.203 20 0 FBADRM C[C@@H]1CCCN(C(=O)C2CCN(S(N)(=O)=O)CC2)[C@@H]1CNC(=O)[O-] ZINC000825904077 603694023 /nfs/dbraw/zinc/69/40/23/603694023.db2.gz AXSCEVGQRHYZOL-ZYHUDNBSSA-N -1 0 362.452 -0.203 20 0 FBADRM C[C@H]1CCCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)[C@@H]1CNC(=O)[O-] ZINC000825907219 603688951 /nfs/dbraw/zinc/68/89/51/603688951.db2.gz XFNMSVRSJISDLU-CMPLNLGQSA-N -1 0 373.435 -0.185 20 0 FBADRM C[C@H]1CCCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)[C@H]1CNC(=O)[O-] ZINC000825907220 603688672 /nfs/dbraw/zinc/68/86/72/603688672.db2.gz XFNMSVRSJISDLU-JQWIXIFHSA-N -1 0 373.435 -0.185 20 0 FBADRM C[C@@H]1CCCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)[C@H]1CNC(=O)[O-] ZINC000825907221 603688837 /nfs/dbraw/zinc/68/88/37/603688837.db2.gz XFNMSVRSJISDLU-PWSUYJOCSA-N -1 0 373.435 -0.185 20 0 FBADRM C[C@@H]1CCCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)[C@@H]1CNC(=O)[O-] ZINC000825907223 603688760 /nfs/dbraw/zinc/68/87/60/603688760.db2.gz XFNMSVRSJISDLU-ZYHUDNBSSA-N -1 0 373.435 -0.185 20 0 FBADRM C[C@@H]1CCCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)[C@@H]1CNC(=O)[O-] ZINC000825907472 603686811 /nfs/dbraw/zinc/68/68/11/603686811.db2.gz ZVMXCJLRROPOQS-BKVNPXPRSA-N -1 0 364.402 -0.008 20 0 FBADRM C[C@@H]1CCCN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)[C@@H]1CNC(=O)[O-] ZINC000825907473 603687200 /nfs/dbraw/zinc/68/72/00/603687200.db2.gz ZVMXCJLRROPOQS-GGCNOCFKSA-N -1 0 364.402 -0.008 20 0 FBADRM C[C@@H]1CCCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)[C@H]1CNC(=O)[O-] ZINC000825907474 603687032 /nfs/dbraw/zinc/68/70/32/603687032.db2.gz ZVMXCJLRROPOQS-VKYBYORPSA-N -1 0 364.402 -0.008 20 0 FBADRM C[C@@H]1CCCN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)[C@H]1CNC(=O)[O-] ZINC000825907475 603687328 /nfs/dbraw/zinc/68/73/28/603687328.db2.gz ZVMXCJLRROPOQS-YXZYKRAASA-N -1 0 364.402 -0.008 20 0 FBADRM CN(CC1CCCCC1)C(=O)Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC000825909468 608095476 /nfs/dbraw/zinc/09/54/76/608095476.db2.gz YTYXRYWOHJPTBB-UHFFFAOYSA-N -1 0 361.406 -0.234 20 0 FBADRM C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)[C@@H]1CNC(=O)[O-] ZINC000825912018 603543628 /nfs/dbraw/zinc/54/36/28/603543628.db2.gz CKQWRKMQMTXCGX-GHMZBOCLSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)[C@H]1CNC(=O)[O-] ZINC000825912019 603543817 /nfs/dbraw/zinc/54/38/17/603543817.db2.gz CKQWRKMQMTXCGX-MNOVXSKESA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)[C@H]1CNC(=O)[O-] ZINC000825912020 603543545 /nfs/dbraw/zinc/54/35/45/603543545.db2.gz CKQWRKMQMTXCGX-QWRGUYRKSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)[C@@H]1CNC(=O)[O-] ZINC000825912021 603543862 /nfs/dbraw/zinc/54/38/62/603543862.db2.gz CKQWRKMQMTXCGX-WDEREUQCSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)[C@@H]1CNC(=O)[O-] ZINC000825912074 603692551 /nfs/dbraw/zinc/69/25/51/603692551.db2.gz DKTXGRALTGUNMW-CMPLNLGQSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)[C@H]1CNC(=O)[O-] ZINC000825912075 603692575 /nfs/dbraw/zinc/69/25/75/603692575.db2.gz DKTXGRALTGUNMW-JQWIXIFHSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)[C@H]1CNC(=O)[O-] ZINC000825912076 603692264 /nfs/dbraw/zinc/69/22/64/603692264.db2.gz DKTXGRALTGUNMW-PWSUYJOCSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)[C@@H]1CNC(=O)[O-] ZINC000825912077 603692324 /nfs/dbraw/zinc/69/23/24/603692324.db2.gz DKTXGRALTGUNMW-ZYHUDNBSSA-N -1 0 373.435 -0.407 20 0 FBADRM C[C@H]1CCCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)[C@@H]1CNC(=O)[O-] ZINC000825914015 604931487 /nfs/dbraw/zinc/93/14/87/604931487.db2.gz WMIMCUYEUBVUOL-GXSJLCMTSA-N -1 0 359.408 -0.575 20 0 FBADRM C[C@@H]1CCCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)[C@H]1CNC(=O)[O-] ZINC000825914016 604931281 /nfs/dbraw/zinc/93/12/81/604931281.db2.gz WMIMCUYEUBVUOL-KOLCDFICSA-N -1 0 359.408 -0.575 20 0 FBADRM C[C@@H]1CCCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)[C@@H]1CNC(=O)[O-] ZINC000825914017 604931200 /nfs/dbraw/zinc/93/12/00/604931200.db2.gz WMIMCUYEUBVUOL-MWLCHTKSSA-N -1 0 359.408 -0.575 20 0 FBADRM C[C@H]1CCCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)[C@H]1CNC(=O)[O-] ZINC000825914018 604931467 /nfs/dbraw/zinc/93/14/67/604931467.db2.gz WMIMCUYEUBVUOL-ONGXEEELSA-N -1 0 359.408 -0.575 20 0 FBADRM C[C@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H]1CNC(=O)[O-] ZINC000825919872 603664131 /nfs/dbraw/zinc/66/41/31/603664131.db2.gz UEDQAIABMACWCM-CMPLNLGQSA-N -1 0 352.395 -0.125 20 0 FBADRM C[C@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1CNC(=O)[O-] ZINC000825919873 603664356 /nfs/dbraw/zinc/66/43/56/603664356.db2.gz UEDQAIABMACWCM-JQWIXIFHSA-N -1 0 352.395 -0.125 20 0 FBADRM C[C@@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1CNC(=O)[O-] ZINC000825919874 603664370 /nfs/dbraw/zinc/66/43/70/603664370.db2.gz UEDQAIABMACWCM-PWSUYJOCSA-N -1 0 352.395 -0.125 20 0 FBADRM C[C@@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H]1CNC(=O)[O-] ZINC000825919875 603664227 /nfs/dbraw/zinc/66/42/27/603664227.db2.gz UEDQAIABMACWCM-ZYHUDNBSSA-N -1 0 352.395 -0.125 20 0 FBADRM CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)CCN1CCOCC1 ZINC000825923734 608557044 /nfs/dbraw/zinc/55/70/44/608557044.db2.gz TXYPGCPLBLDNEX-UHFFFAOYSA-N -1 0 363.426 -0.715 20 0 FBADRM C[C@@H]1CCCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H]1CNC(=O)[O-] ZINC000825924026 603722533 /nfs/dbraw/zinc/72/25/33/603722533.db2.gz BUZIVBFPDWPUKJ-NXEZZACHSA-N -1 0 367.406 -0.783 20 0 FBADRM C[C@H]1CCCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@H]1CNC(=O)[O-] ZINC000825924027 603722273 /nfs/dbraw/zinc/72/22/73/603722273.db2.gz BUZIVBFPDWPUKJ-UWVGGRQHSA-N -1 0 367.406 -0.783 20 0 FBADRM C[C@H]1CCCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H]1CNC(=O)[O-] ZINC000825924028 603722366 /nfs/dbraw/zinc/72/23/66/603722366.db2.gz BUZIVBFPDWPUKJ-VHSXEESVSA-N -1 0 367.406 -0.783 20 0 FBADRM C[C@@H]1CCCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@H]1CNC(=O)[O-] ZINC000825924029 603722618 /nfs/dbraw/zinc/72/26/18/603722618.db2.gz BUZIVBFPDWPUKJ-ZJUUUORDSA-N -1 0 367.406 -0.783 20 0 FBADRM CC(=O)c1[nH]c(CC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c(C(=O)[O-])c1C ZINC000825928736 601244567 /nfs/dbraw/zinc/24/45/67/601244567.db2.gz FKUJJNNGKRFXCN-JTQLQIEISA-N -1 0 362.342 -0.471 20 0 FBADRM CC(=O)c1[nH]c(CC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c(C(=O)[O-])c1C ZINC000825928737 601244466 /nfs/dbraw/zinc/24/44/66/601244466.db2.gz FKUJJNNGKRFXCN-SNVBAGLBSA-N -1 0 362.342 -0.471 20 0 FBADRM CC(=O)c1[nH]c(CC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c(C(=O)[O-])c1C ZINC000825929030 601978540 /nfs/dbraw/zinc/97/85/40/601978540.db2.gz MXHBYAZEGXDTGB-GXSJLCMTSA-N -1 0 351.359 -0.084 20 0 FBADRM CC(=O)c1[nH]c(CC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c(C(=O)[O-])c1C ZINC000825929031 601978249 /nfs/dbraw/zinc/97/82/49/601978249.db2.gz MXHBYAZEGXDTGB-KOLCDFICSA-N -1 0 351.359 -0.084 20 0 FBADRM CC(=O)c1[nH]c(CC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c(C(=O)[O-])c1C ZINC000825929032 601978264 /nfs/dbraw/zinc/97/82/64/601978264.db2.gz MXHBYAZEGXDTGB-MWLCHTKSSA-N -1 0 351.359 -0.084 20 0 FBADRM CC(=O)c1[nH]c(CC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c(C(=O)[O-])c1C ZINC000825929033 601978339 /nfs/dbraw/zinc/97/83/39/601978339.db2.gz MXHBYAZEGXDTGB-ONGXEEELSA-N -1 0 351.359 -0.084 20 0 FBADRM C[C@@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1CNC(=O)[O-] ZINC000825931805 603761430 /nfs/dbraw/zinc/76/14/30/603761430.db2.gz NFDCFXISMBWHMB-NXEZZACHSA-N -1 0 374.419 -0.859 20 0 FBADRM C[C@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1CNC(=O)[O-] ZINC000825931806 603761386 /nfs/dbraw/zinc/76/13/86/603761386.db2.gz NFDCFXISMBWHMB-UWVGGRQHSA-N -1 0 374.419 -0.859 20 0 FBADRM C[C@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1CNC(=O)[O-] ZINC000825931807 603761456 /nfs/dbraw/zinc/76/14/56/603761456.db2.gz NFDCFXISMBWHMB-VHSXEESVSA-N -1 0 374.419 -0.859 20 0 FBADRM C[C@@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1CNC(=O)[O-] ZINC000825931808 603761450 /nfs/dbraw/zinc/76/14/50/603761450.db2.gz NFDCFXISMBWHMB-ZJUUUORDSA-N -1 0 374.419 -0.859 20 0 FBADRM CN(CCN(C)C(=O)OC(C)(C)C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000825938686 608583503 /nfs/dbraw/zinc/58/35/03/608583503.db2.gz VVGUWYBZSOOEER-UHFFFAOYSA-N -1 0 365.398 -0.217 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CCN1C(=O)[O-] ZINC000825960797 604156048 /nfs/dbraw/zinc/15/60/48/604156048.db2.gz DHZQPLOOVLFMCQ-JTQLQIEISA-N -1 0 364.358 -0.300 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CCN1C(=O)[O-] ZINC000825960798 604156142 /nfs/dbraw/zinc/15/61/42/604156142.db2.gz DHZQPLOOVLFMCQ-SNVBAGLBSA-N -1 0 364.358 -0.300 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCN1C(=O)[O-] ZINC000825961505 603875209 /nfs/dbraw/zinc/87/52/09/603875209.db2.gz IDXHPFYPJLVGMS-SECBINFHSA-N -1 0 370.387 -0.517 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCN1C(=O)[O-] ZINC000825961509 603875211 /nfs/dbraw/zinc/87/52/11/603875211.db2.gz IDXHPFYPJLVGMS-VIFPVBQESA-N -1 0 370.387 -0.517 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CCN1C(=O)[O-] ZINC000825961773 604152232 /nfs/dbraw/zinc/15/22/32/604152232.db2.gz KNPPJUOEGZDZCD-JTQLQIEISA-N -1 0 359.346 -0.189 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CCN1C(=O)[O-] ZINC000825961774 604152295 /nfs/dbraw/zinc/15/22/95/604152295.db2.gz KNPPJUOEGZDZCD-SNVBAGLBSA-N -1 0 359.346 -0.189 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccnc2-n2cncn2)CCN1C(=O)[O-] ZINC000825962104 604152357 /nfs/dbraw/zinc/15/23/57/604152357.db2.gz ODVCIOSCMOAXHB-JTQLQIEISA-N -1 0 359.346 -0.189 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2-n2cncn2)CCN1C(=O)[O-] ZINC000825962105 604152252 /nfs/dbraw/zinc/15/22/52/604152252.db2.gz ODVCIOSCMOAXHB-SNVBAGLBSA-N -1 0 359.346 -0.189 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CCN1C(=O)[O-] ZINC000825962164 604154343 /nfs/dbraw/zinc/15/43/43/604154343.db2.gz OOWCFJMXGHPQFQ-JTQLQIEISA-N -1 0 359.346 -0.189 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CCN1C(=O)[O-] ZINC000825962165 604154622 /nfs/dbraw/zinc/15/46/22/604154622.db2.gz OOWCFJMXGHPQFQ-SNVBAGLBSA-N -1 0 359.346 -0.189 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CCN1C(=O)[O-] ZINC000825962192 604155907 /nfs/dbraw/zinc/15/59/07/604155907.db2.gz OZXPXVYODRTUIU-JTQLQIEISA-N -1 0 359.346 -0.189 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CCN1C(=O)[O-] ZINC000825962194 604155841 /nfs/dbraw/zinc/15/58/41/604155841.db2.gz OZXPXVYODRTUIU-SNVBAGLBSA-N -1 0 359.346 -0.189 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CCN1C(=O)[O-] ZINC000825962451 604155829 /nfs/dbraw/zinc/15/58/29/604155829.db2.gz QYPONGOGLQKEPD-JTQLQIEISA-N -1 0 364.358 -0.300 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CCN1C(=O)[O-] ZINC000825962452 604155883 /nfs/dbraw/zinc/15/58/83/604155883.db2.gz QYPONGOGLQKEPD-SNVBAGLBSA-N -1 0 364.358 -0.300 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CCN1C(=O)[O-] ZINC000825962475 604149196 /nfs/dbraw/zinc/14/91/96/604149196.db2.gz RKBSJZDUPUKQAE-SECBINFHSA-N -1 0 370.387 -0.366 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CCN1C(=O)[O-] ZINC000825962476 604149180 /nfs/dbraw/zinc/14/91/80/604149180.db2.gz RKBSJZDUPUKQAE-VIFPVBQESA-N -1 0 370.387 -0.366 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)CCN1C(=O)[O-] ZINC000825962501 604147150 /nfs/dbraw/zinc/14/71/50/604147150.db2.gz RXKZUQPJAPKXKF-JTQLQIEISA-N -1 0 363.374 -0.067 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)CCN1C(=O)[O-] ZINC000825962502 604147376 /nfs/dbraw/zinc/14/73/76/604147376.db2.gz RXKZUQPJAPKXKF-SNVBAGLBSA-N -1 0 363.374 -0.067 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)CCN1C(=O)[O-] ZINC000825962681 604150650 /nfs/dbraw/zinc/15/06/50/604150650.db2.gz VYZVTQGPBYYQMP-JTQLQIEISA-N -1 0 359.346 -0.189 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)CCN1C(=O)[O-] ZINC000825962682 604150777 /nfs/dbraw/zinc/15/07/77/604150777.db2.gz VYZVTQGPBYYQMP-SNVBAGLBSA-N -1 0 359.346 -0.189 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)CCN1C(=O)[O-] ZINC000825962752 604147365 /nfs/dbraw/zinc/14/73/65/604147365.db2.gz XJKDMBYDGLKKKL-JTQLQIEISA-N -1 0 366.378 -0.880 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)CCN1C(=O)[O-] ZINC000825962753 604147404 /nfs/dbraw/zinc/14/74/04/604147404.db2.gz XJKDMBYDGLKKKL-SNVBAGLBSA-N -1 0 366.378 -0.880 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CCN1C(=O)[O-] ZINC000825962804 604150783 /nfs/dbraw/zinc/15/07/83/604150783.db2.gz YSWZQBNIXRXQRJ-SECBINFHSA-N -1 0 370.387 -0.517 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CCN1C(=O)[O-] ZINC000825962805 604150717 /nfs/dbraw/zinc/15/07/17/604150717.db2.gz YSWZQBNIXRXQRJ-VIFPVBQESA-N -1 0 370.387 -0.517 20 0 FBADRM CC(=O)c1cn(CC(=O)NC2(C(=O)[O-])CCCCC2)c(=O)n(C)c1=O ZINC000825963525 602124097 /nfs/dbraw/zinc/12/40/97/602124097.db2.gz AVSFIXIJMJMOET-UHFFFAOYSA-N -1 0 351.359 -0.347 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CCN1C(=O)[O-] ZINC000825969153 604147360 /nfs/dbraw/zinc/14/73/60/604147360.db2.gz MXKQSQWKVLXJKX-JTQLQIEISA-N -1 0 359.346 -0.189 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CCN1C(=O)[O-] ZINC000825969154 604147541 /nfs/dbraw/zinc/14/75/41/604147541.db2.gz MXKQSQWKVLXJKX-SNVBAGLBSA-N -1 0 359.346 -0.189 20 0 FBADRM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000825970220 603724283 /nfs/dbraw/zinc/72/42/83/603724283.db2.gz UDCAPEAEHNWEED-AAEUAGOBSA-N -1 0 366.418 -0.428 20 0 FBADRM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000825970221 603724137 /nfs/dbraw/zinc/72/41/37/603724137.db2.gz UDCAPEAEHNWEED-DGCLKSJQSA-N -1 0 366.418 -0.428 20 0 FBADRM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000825970222 603724426 /nfs/dbraw/zinc/72/44/26/603724426.db2.gz UDCAPEAEHNWEED-WCQYABFASA-N -1 0 366.418 -0.428 20 0 FBADRM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000825970223 603724149 /nfs/dbraw/zinc/72/41/49/603724149.db2.gz UDCAPEAEHNWEED-YPMHNXCESA-N -1 0 366.418 -0.428 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)CCN1C(=O)[O-] ZINC000825970236 603775179 /nfs/dbraw/zinc/77/51/79/603775179.db2.gz UEXYGUDKUFDZKK-JTQLQIEISA-N -1 0 366.378 -0.880 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)CCN1C(=O)[O-] ZINC000825970237 603775217 /nfs/dbraw/zinc/77/52/17/603775217.db2.gz UEXYGUDKUFDZKK-SNVBAGLBSA-N -1 0 366.378 -0.880 20 0 FBADRM C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCSC[C@H]1CC(=O)[O-] ZINC000825972426 601921227 /nfs/dbraw/zinc/92/12/27/601921227.db2.gz QYEKLPLWXHEQBA-GRYCIOLGSA-N -1 0 364.489 -0.088 20 0 FBADRM C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCSC[C@H]1CC(=O)[O-] ZINC000825972427 601921284 /nfs/dbraw/zinc/92/12/84/601921284.db2.gz QYEKLPLWXHEQBA-IJLUTSLNSA-N -1 0 364.489 -0.088 20 0 FBADRM C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000825972428 601921287 /nfs/dbraw/zinc/92/12/87/601921287.db2.gz QYEKLPLWXHEQBA-UTUOFQBUSA-N -1 0 364.489 -0.088 20 0 FBADRM C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000825972429 601921541 /nfs/dbraw/zinc/92/15/41/601921541.db2.gz QYEKLPLWXHEQBA-WOPDTQHZSA-N -1 0 364.489 -0.088 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CCN1C(=O)[O-] ZINC000825975081 603963704 /nfs/dbraw/zinc/96/37/04/603963704.db2.gz MXJUWEHAGRFJFZ-BXKDBHETSA-N -1 0 354.388 -0.073 20 0 FBADRM C[C@H]1CN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CCN1C(=O)[O-] ZINC000825975082 603963374 /nfs/dbraw/zinc/96/33/74/603963374.db2.gz MXJUWEHAGRFJFZ-CABZTGNLSA-N -1 0 354.388 -0.073 20 0 FBADRM C[C@H]1CN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CCN1C(=O)[O-] ZINC000825975083 603963430 /nfs/dbraw/zinc/96/34/30/603963430.db2.gz MXJUWEHAGRFJFZ-JOYOIKCWSA-N -1 0 354.388 -0.073 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CCN1C(=O)[O-] ZINC000825975084 603963645 /nfs/dbraw/zinc/96/36/45/603963645.db2.gz MXJUWEHAGRFJFZ-SKDRFNHKSA-N -1 0 354.388 -0.073 20 0 FBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)CCN1CCCS1(=O)=O ZINC000825977570 601549571 /nfs/dbraw/zinc/54/95/71/601549571.db2.gz JSYZPSIENYCOME-GFCCVEGCSA-N -1 0 361.464 -0.335 20 0 FBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)CCN1CCCS1(=O)=O ZINC000825977571 601549535 /nfs/dbraw/zinc/54/95/35/601549535.db2.gz JSYZPSIENYCOME-LBPRGKRZSA-N -1 0 361.464 -0.335 20 0 FBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000825978063 601423914 /nfs/dbraw/zinc/42/39/14/601423914.db2.gz WMRGPSMMNFJMHQ-GFCCVEGCSA-N -1 0 363.418 -0.220 20 0 FBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000825978064 601424032 /nfs/dbraw/zinc/42/40/32/601424032.db2.gz WMRGPSMMNFJMHQ-LBPRGKRZSA-N -1 0 363.418 -0.220 20 0 FBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(c2nc(N)ns2)CC1 ZINC000825978195 602327588 /nfs/dbraw/zinc/32/75/88/602327588.db2.gz ZOURYNQMFCLVNK-JTQLQIEISA-N -1 0 368.463 -0.046 20 0 FBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(c2nc(N)ns2)CC1 ZINC000825978196 602327729 /nfs/dbraw/zinc/32/77/29/602327729.db2.gz ZOURYNQMFCLVNK-SNVBAGLBSA-N -1 0 368.463 -0.046 20 0 FBADRM C[C@@H]1CN(C(=O)CNC(=O)[O-])CCN1C(=O)CNC(=O)OC(C)(C)C ZINC000825982678 603933489 /nfs/dbraw/zinc/93/34/89/603933489.db2.gz BVIXPPUPBNUFJH-SNVBAGLBSA-N -1 0 358.395 -0.162 20 0 FBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000825983233 601763760 /nfs/dbraw/zinc/76/37/60/601763760.db2.gz SWJBODYOSXAPCP-GFCCVEGCSA-N -1 0 364.406 -0.869 20 0 FBADRM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000825983238 601763798 /nfs/dbraw/zinc/76/37/98/601763798.db2.gz SWJBODYOSXAPCP-LBPRGKRZSA-N -1 0 364.406 -0.869 20 0 FBADRM C[C@H](C(=O)N1CCCC1)N1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000825983333 601593866 /nfs/dbraw/zinc/59/38/66/601593866.db2.gz VUPNFMZJFFAUCV-CYBMUJFWSA-N -1 0 361.464 -0.191 20 0 FBADRM C[C@@H](C(=O)N1CCCC1)N1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000825983338 601593991 /nfs/dbraw/zinc/59/39/91/601593991.db2.gz VUPNFMZJFFAUCV-ZDUSSCGKSA-N -1 0 361.464 -0.191 20 0 FBADRM C[C@H]1CN(C(=O)CN2CCN(S(C)(=O)=O)CC2)C[C@H](C)N1C(=O)[O-] ZINC000825983477 604323075 /nfs/dbraw/zinc/32/30/75/604323075.db2.gz JSNFCLDDZGZGKS-RYUDHWBXSA-N -1 0 362.452 -0.837 20 0 FBADRM C[C@@H]1CN(C(=O)CN2CCN(S(C)(=O)=O)CC2)C[C@H](C)N1C(=O)[O-] ZINC000825983478 604323031 /nfs/dbraw/zinc/32/30/31/604323031.db2.gz JSNFCLDDZGZGKS-TXEJJXNPSA-N -1 0 362.452 -0.837 20 0 FBADRM C[C@@H]1CN(C(=O)CN2CCN(S(C)(=O)=O)CC2)C[C@@H](C)N1C(=O)[O-] ZINC000825983479 604323155 /nfs/dbraw/zinc/32/31/55/604323155.db2.gz JSNFCLDDZGZGKS-VXGBXAGGSA-N -1 0 362.452 -0.837 20 0 FBADRM C[C@H]1CN(C(=O)CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)CCO1 ZINC000825983938 603630110 /nfs/dbraw/zinc/63/01/10/603630110.db2.gz QXOWLIRRNYAOTK-JTQLQIEISA-N -1 0 354.363 -0.702 20 0 FBADRM C[C@@H]1CN(C(=O)CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)CCO1 ZINC000825983939 603630573 /nfs/dbraw/zinc/63/05/73/603630573.db2.gz QXOWLIRRNYAOTK-SNVBAGLBSA-N -1 0 354.363 -0.702 20 0 FBADRM C[C@@H]1CN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C[C@@H](C(F)(F)F)O1 ZINC000825984069 603761527 /nfs/dbraw/zinc/76/15/27/603761527.db2.gz SQMGPUMZGZACLG-BDAKNGLRSA-N -1 0 353.297 -0.013 20 0 FBADRM C[C@H]1CN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C[C@H](C(F)(F)F)O1 ZINC000825984070 603761482 /nfs/dbraw/zinc/76/14/82/603761482.db2.gz SQMGPUMZGZACLG-DTWKUNHWSA-N -1 0 353.297 -0.013 20 0 FBADRM C[C@H]1CN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C[C@@H](C(F)(F)F)O1 ZINC000825984071 603761518 /nfs/dbraw/zinc/76/15/18/603761518.db2.gz SQMGPUMZGZACLG-IUCAKERBSA-N -1 0 353.297 -0.013 20 0 FBADRM C[C@@H]1CN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C[C@H](C(F)(F)F)O1 ZINC000825984072 603761502 /nfs/dbraw/zinc/76/15/02/603761502.db2.gz SQMGPUMZGZACLG-RKDXNWHRSA-N -1 0 353.297 -0.013 20 0 FBADRM C[C@@H]1CN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC[C@@H]1NC(=O)[O-] ZINC000825984107 604370943 /nfs/dbraw/zinc/37/09/43/604370943.db2.gz UBBOAJFQIJSUIE-NEPJUHHUSA-N -1 0 362.452 -0.932 20 0 FBADRM C[C@H]1CN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC[C@H]1NC(=O)[O-] ZINC000825984108 604370691 /nfs/dbraw/zinc/37/06/91/604370691.db2.gz UBBOAJFQIJSUIE-NWDGAFQWSA-N -1 0 362.452 -0.932 20 0 FBADRM C[C@H]1CN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC[C@@H]1NC(=O)[O-] ZINC000825984109 604370826 /nfs/dbraw/zinc/37/08/26/604370826.db2.gz UBBOAJFQIJSUIE-RYUDHWBXSA-N -1 0 362.452 -0.932 20 0 FBADRM C[C@@H]1CN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC[C@H]1NC(=O)[O-] ZINC000825984110 604370996 /nfs/dbraw/zinc/37/09/96/604370996.db2.gz UBBOAJFQIJSUIE-VXGBXAGGSA-N -1 0 362.452 -0.932 20 0 FBADRM C[C@@H]1CN(C(=O)CNC(=O)OC(C)(C)C)CCN1C(=O)CNC(=O)[O-] ZINC000825984236 603933479 /nfs/dbraw/zinc/93/34/79/603933479.db2.gz WCWYHYYRHCUWGS-SNVBAGLBSA-N -1 0 358.395 -0.162 20 0 FBADRM C[C@H]1CN(C(=O)CN2CCC(NC(=O)[O-])CC2)C[C@H]1N1CCOCC1 ZINC000825984433 605754496 /nfs/dbraw/zinc/75/44/96/605754496.db2.gz YUGBARJXGKQWSY-DZGCQCFKSA-N -1 0 354.451 -0.103 20 0 FBADRM C[C@@H]1CN(C(=O)CN2CCC(NC(=O)[O-])CC2)C[C@@H]1N1CCOCC1 ZINC000825984434 605754299 /nfs/dbraw/zinc/75/42/99/605754299.db2.gz YUGBARJXGKQWSY-HIFRSBDPSA-N -1 0 354.451 -0.103 20 0 FBADRM C[C@@H]1CN(C(=O)CN2CCC(NC(=O)[O-])CC2)C[C@H]1N1CCOCC1 ZINC000825984435 605754384 /nfs/dbraw/zinc/75/43/84/605754384.db2.gz YUGBARJXGKQWSY-UKRRQHHQSA-N -1 0 354.451 -0.103 20 0 FBADRM C[C@H]1CN(C(=O)CN2CCC(NC(=O)[O-])CC2)C[C@@H]1N1CCOCC1 ZINC000825984436 605754351 /nfs/dbraw/zinc/75/43/51/605754351.db2.gz YUGBARJXGKQWSY-ZFWWWQNUSA-N -1 0 354.451 -0.103 20 0 FBADRM CN(Cc1cn(C)nc1C(F)(F)F)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000825985830 607540511 /nfs/dbraw/zinc/54/05/11/607540511.db2.gz CBEUNOAZHYLBOM-UHFFFAOYSA-N -1 0 370.299 -0.131 20 0 FBADRM C[C@H]1CN(C(=O)COc2ccc(S(N)(=O)=O)cc2)CCN1C(=O)[O-] ZINC000825988277 603876159 /nfs/dbraw/zinc/87/61/59/603876159.db2.gz JOKMZVSKJJRITR-JTQLQIEISA-N -1 0 357.388 -0.077 20 0 FBADRM C[C@@H]1CN(C(=O)COc2ccc(S(N)(=O)=O)cc2)CCN1C(=O)[O-] ZINC000825988279 603875887 /nfs/dbraw/zinc/87/58/87/603875887.db2.gz JOKMZVSKJJRITR-SNVBAGLBSA-N -1 0 357.388 -0.077 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NCCNC(=O)[O-])cn2)C[C@@H](C)O1 ZINC000825988281 604249814 /nfs/dbraw/zinc/24/98/14/604249814.db2.gz JPOLYJVEHGJBCW-GHMZBOCLSA-N -1 0 368.394 -0.092 20 0 FBADRM NC(=O)NCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000825988282 661107279 /nfs/dbraw/zinc/10/72/79/661107279.db2.gz WKNCKNVDAYZVKF-UHFFFAOYSA-N -1 0 356.404 -0.425 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NCCNC(=O)[O-])cn2)C[C@H](C)O1 ZINC000825988283 604249920 /nfs/dbraw/zinc/24/99/20/604249920.db2.gz JPOLYJVEHGJBCW-PHIMTYICSA-N -1 0 368.394 -0.092 20 0 FBADRM C[C@H]1CN(C(=O)Cn2cc(NC(=O)NCCNC(=O)[O-])cn2)C[C@H](C)O1 ZINC000825988284 604249959 /nfs/dbraw/zinc/24/99/59/604249959.db2.gz JPOLYJVEHGJBCW-QWRGUYRKSA-N -1 0 368.394 -0.092 20 0 FBADRM C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)cn2)C[C@H](C)N1C(=O)[O-] ZINC000825989221 603534821 /nfs/dbraw/zinc/53/48/21/603534821.db2.gz TWENYKUXXMZRMM-AOOOYVTPSA-N -1 0 359.408 -0.702 20 0 FBADRM C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)cn2)C[C@@H](C)N1C(=O)[O-] ZINC000825989222 603535113 /nfs/dbraw/zinc/53/51/13/603535113.db2.gz TWENYKUXXMZRMM-NXEZZACHSA-N -1 0 359.408 -0.702 20 0 FBADRM C[C@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)cn2)C[C@H](C)N1C(=O)[O-] ZINC000825989223 603535150 /nfs/dbraw/zinc/53/51/50/603535150.db2.gz TWENYKUXXMZRMM-UWVGGRQHSA-N -1 0 359.408 -0.702 20 0 FBADRM C[C@@H]1CN(C(=O)COCCNC(=O)[O-])CCN1c1nccn2cnnc12 ZINC000825989314 605416052 /nfs/dbraw/zinc/41/60/52/605416052.db2.gz VVDCHIRUJZIOCN-LLVKDONJSA-N -1 0 363.378 -0.554 20 0 FBADRM C[C@H]1CN(C(=O)COCCNC(=O)[O-])CCN1c1nccn2cnnc12 ZINC000825989320 605415866 /nfs/dbraw/zinc/41/58/66/605415866.db2.gz VVDCHIRUJZIOCN-NSHDSACASA-N -1 0 363.378 -0.554 20 0 FBADRM C[C@H](C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000825989811 601810575 /nfs/dbraw/zinc/81/05/75/601810575.db2.gz GSURDHOWLKMVIF-GWCFXTLKSA-N -1 0 368.411 -0.005 20 0 FBADRM C[C@H](C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000825989812 601810778 /nfs/dbraw/zinc/81/07/78/601810778.db2.gz GSURDHOWLKMVIF-GXFFZTMASA-N -1 0 368.411 -0.005 20 0 FBADRM C[C@@H](C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000825989813 601810819 /nfs/dbraw/zinc/81/08/19/601810819.db2.gz GSURDHOWLKMVIF-MFKMUULPSA-N -1 0 368.411 -0.005 20 0 FBADRM C[C@@H](C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000825989814 601810857 /nfs/dbraw/zinc/81/08/57/601810857.db2.gz GSURDHOWLKMVIF-ZWNOBZJWSA-N -1 0 368.411 -0.005 20 0 FBADRM C[C@H](C(=O)N1CCO[C@H](CC(=O)[O-])C1)N1C(=O)NC2(CCCC2)C1=O ZINC000825989863 601671444 /nfs/dbraw/zinc/67/14/44/601671444.db2.gz HRPHLUAPBJYYNP-GHMZBOCLSA-N -1 0 353.375 -0.058 20 0 FBADRM C[C@H](C(=O)N1CCO[C@@H](CC(=O)[O-])C1)N1C(=O)NC2(CCCC2)C1=O ZINC000825989864 601671453 /nfs/dbraw/zinc/67/14/53/601671453.db2.gz HRPHLUAPBJYYNP-MNOVXSKESA-N -1 0 353.375 -0.058 20 0 FBADRM C[C@@H](C(=O)N1CCO[C@@H](CC(=O)[O-])C1)N1C(=O)NC2(CCCC2)C1=O ZINC000825989865 601671389 /nfs/dbraw/zinc/67/13/89/601671389.db2.gz HRPHLUAPBJYYNP-QWRGUYRKSA-N -1 0 353.375 -0.058 20 0 FBADRM C[C@@H](C(=O)N1CCO[C@H](CC(=O)[O-])C1)N1C(=O)NC2(CCCC2)C1=O ZINC000825989866 601671384 /nfs/dbraw/zinc/67/13/84/601671384.db2.gz HRPHLUAPBJYYNP-WDEREUQCSA-N -1 0 353.375 -0.058 20 0 FBADRM C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC[C@H]1NC(=O)[O-] ZINC000825989946 603537870 /nfs/dbraw/zinc/53/78/70/603537870.db2.gz YXMNKLULABTFNX-NXEZZACHSA-N -1 0 359.408 -0.797 20 0 FBADRM C[C@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC[C@@H]1NC(=O)[O-] ZINC000825989949 603537986 /nfs/dbraw/zinc/53/79/86/603537986.db2.gz YXMNKLULABTFNX-UWVGGRQHSA-N -1 0 359.408 -0.797 20 0 FBADRM C[C@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC[C@H]1NC(=O)[O-] ZINC000825989951 603537942 /nfs/dbraw/zinc/53/79/42/603537942.db2.gz YXMNKLULABTFNX-VHSXEESVSA-N -1 0 359.408 -0.797 20 0 FBADRM C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC[C@@H]1NC(=O)[O-] ZINC000825989953 603538379 /nfs/dbraw/zinc/53/83/79/603538379.db2.gz YXMNKLULABTFNX-ZJUUUORDSA-N -1 0 359.408 -0.797 20 0 FBADRM C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000825990752 601571876 /nfs/dbraw/zinc/57/18/76/601571876.db2.gz PWJGAWCIPCJOEA-KBPBESRZSA-N -1 0 363.418 -0.311 20 0 FBADRM C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000825990756 601571927 /nfs/dbraw/zinc/57/19/27/601571927.db2.gz PWJGAWCIPCJOEA-KGLIPLIRSA-N -1 0 363.418 -0.311 20 0 FBADRM C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCO[C@H](CC(=O)[O-])C1 ZINC000825990759 601571898 /nfs/dbraw/zinc/57/18/98/601571898.db2.gz PWJGAWCIPCJOEA-UONOGXRCSA-N -1 0 363.418 -0.311 20 0 FBADRM C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCO[C@H](CC(=O)[O-])C1 ZINC000825990762 601572051 /nfs/dbraw/zinc/57/20/51/601572051.db2.gz PWJGAWCIPCJOEA-ZIAGYGMSSA-N -1 0 363.418 -0.311 20 0 FBADRM C[C@@H](C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC000825991119 600859244 /nfs/dbraw/zinc/85/92/44/600859244.db2.gz WCUGGVXRLFXDHY-CMPLNLGQSA-N -1 0 358.358 -0.297 20 0 FBADRM C[C@@H](C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC000825991120 600859330 /nfs/dbraw/zinc/85/93/30/600859330.db2.gz WCUGGVXRLFXDHY-JQWIXIFHSA-N -1 0 358.358 -0.297 20 0 FBADRM C[C@H](C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC000825991121 600859540 /nfs/dbraw/zinc/85/95/40/600859540.db2.gz WCUGGVXRLFXDHY-PWSUYJOCSA-N -1 0 358.358 -0.297 20 0 FBADRM C[C@H](C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC000825991122 600859518 /nfs/dbraw/zinc/85/95/18/600859518.db2.gz WCUGGVXRLFXDHY-ZYHUDNBSSA-N -1 0 358.358 -0.297 20 0 FBADRM C[C@@H]1CN(C(=O)NC2CCN(CC(=O)N(C)C)CC2)CCN1C(=O)[O-] ZINC000825996051 603809276 /nfs/dbraw/zinc/80/92/76/603809276.db2.gz JUQXWSGTCSQTKJ-GFCCVEGCSA-N -1 0 355.439 -0.067 20 0 FBADRM C[C@H]1CN(C(=O)NC2CCN(CC(=O)N(C)C)CC2)CCN1C(=O)[O-] ZINC000825996053 603809092 /nfs/dbraw/zinc/80/90/92/603809092.db2.gz JUQXWSGTCSQTKJ-LBPRGKRZSA-N -1 0 355.439 -0.067 20 0 FBADRM C[C@H]1CN(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CCN1C(=O)[O-] ZINC000825996391 604145373 /nfs/dbraw/zinc/14/53/73/604145373.db2.gz LTPCGVYIYSDSMB-CMPLNLGQSA-N -1 0 350.379 -0.081 20 0 FBADRM C[C@H]1CN(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CCN1C(=O)[O-] ZINC000825996392 604145391 /nfs/dbraw/zinc/14/53/91/604145391.db2.gz LTPCGVYIYSDSMB-JQWIXIFHSA-N -1 0 350.379 -0.081 20 0 FBADRM C[C@@H]1CN(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CCN1C(=O)[O-] ZINC000825996393 604145444 /nfs/dbraw/zinc/14/54/44/604145444.db2.gz LTPCGVYIYSDSMB-PWSUYJOCSA-N -1 0 350.379 -0.081 20 0 FBADRM C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CCN1C(=O)[O-] ZINC000825996394 604145430 /nfs/dbraw/zinc/14/54/30/604145430.db2.gz LTPCGVYIYSDSMB-ZYHUDNBSSA-N -1 0 350.379 -0.081 20 0 FBADRM C[C@H]1CN(C(=O)NC2CN(C(=O)[O-])C2)CCN1c1nccn2cnnc12 ZINC000825997043 605390695 /nfs/dbraw/zinc/39/06/95/605390695.db2.gz VOAOKOBLHZRDBY-JTQLQIEISA-N -1 0 360.378 -0.293 20 0 FBADRM C[C@@H]1CN(C(=O)NC2CN(C(=O)[O-])C2)CCN1c1nccn2cnnc12 ZINC000825997044 605390799 /nfs/dbraw/zinc/39/07/99/605390799.db2.gz VOAOKOBLHZRDBY-SNVBAGLBSA-N -1 0 360.378 -0.293 20 0 FBADRM CN(Cc1ncc(Cl)n1C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000825998916 609434033 /nfs/dbraw/zinc/43/40/33/609434033.db2.gz FIHGWJLVBZQWKN-UHFFFAOYSA-N -1 0 365.785 -0.713 20 0 FBADRM C[C@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC000825999437 601130559 /nfs/dbraw/zinc/13/05/59/601130559.db2.gz AMOCZLCXOXPUQJ-GFCCVEGCSA-N -1 0 373.475 -0.144 20 0 FBADRM C[C@@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC000825999438 601130411 /nfs/dbraw/zinc/13/04/11/601130411.db2.gz AMOCZLCXOXPUQJ-LBPRGKRZSA-N -1 0 373.475 -0.144 20 0 FBADRM C[C@@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000825999627 600699119 /nfs/dbraw/zinc/69/91/19/600699119.db2.gz FWSZWVMUBBVMAW-JTQLQIEISA-N -1 0 370.431 -0.314 20 0 FBADRM C[C@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000825999628 600699529 /nfs/dbraw/zinc/69/95/29/600699529.db2.gz FWSZWVMUBBVMAW-SNVBAGLBSA-N -1 0 370.431 -0.314 20 0 FBADRM C[C@@H]1CN(C(=O)NCCN(C)C(=O)[O-])CCN1c1nccn2cnnc12 ZINC000825999762 605358937 /nfs/dbraw/zinc/35/89/37/605358937.db2.gz AYYBNDDSLBNXKX-LLVKDONJSA-N -1 0 362.394 -0.046 20 0 FBADRM C[C@H]1CN(C(=O)NCCN(C)C(=O)[O-])CCN1c1nccn2cnnc12 ZINC000825999763 605359185 /nfs/dbraw/zinc/35/91/85/605359185.db2.gz AYYBNDDSLBNXKX-NSHDSACASA-N -1 0 362.394 -0.046 20 0 FBADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC000825999877 601063160 /nfs/dbraw/zinc/06/31/60/601063160.db2.gz KHXHBGKXNOVTGL-LLVKDONJSA-N -1 0 364.406 -0.216 20 0 FBADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC000825999878 601063143 /nfs/dbraw/zinc/06/31/43/601063143.db2.gz KHXHBGKXNOVTGL-NSHDSACASA-N -1 0 364.406 -0.216 20 0 FBADRM C[C@@H]1CN(C(=O)NCCCN2CCN(C(=O)[O-])CC2)CCS1(=O)=O ZINC000826000206 603998190 /nfs/dbraw/zinc/99/81/90/603998190.db2.gz GNNDCCNOGSABNV-GFCCVEGCSA-N -1 0 362.452 -0.499 20 0 FBADRM C[C@H]1CN(C(=O)NCCCN2CCN(C(=O)[O-])CC2)CCS1(=O)=O ZINC000826000207 603998153 /nfs/dbraw/zinc/99/81/53/603998153.db2.gz GNNDCCNOGSABNV-LBPRGKRZSA-N -1 0 362.452 -0.499 20 0 FBADRM C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCOCC2)CCN1C(=O)[O-] ZINC000826000385 603736011 /nfs/dbraw/zinc/73/60/11/603736011.db2.gz GTTQKTVKSCKCSC-LLVKDONJSA-N -1 0 364.424 -0.958 20 0 FBADRM C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCOCC2)CCN1C(=O)[O-] ZINC000826000388 603736086 /nfs/dbraw/zinc/73/60/86/603736086.db2.gz GTTQKTVKSCKCSC-NSHDSACASA-N -1 0 364.424 -0.958 20 0 FBADRM C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCSC[C@H]1CC(=O)[O-] ZINC000826001559 601919156 /nfs/dbraw/zinc/91/91/56/601919156.db2.gz VUBQOXFBIVKLIR-GMTAPVOTSA-N -1 0 350.462 -0.430 20 0 FBADRM C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000826001560 601919586 /nfs/dbraw/zinc/91/95/86/601919586.db2.gz VUBQOXFBIVKLIR-MXWKQRLJSA-N -1 0 350.462 -0.430 20 0 FBADRM C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCSC[C@H]1CC(=O)[O-] ZINC000826001562 601919948 /nfs/dbraw/zinc/91/99/48/601919948.db2.gz VUBQOXFBIVKLIR-OUAUKWLOSA-N -1 0 350.462 -0.430 20 0 FBADRM C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000826001564 601919962 /nfs/dbraw/zinc/91/99/62/601919962.db2.gz VUBQOXFBIVKLIR-VWYCJHECSA-N -1 0 350.462 -0.430 20 0 FBADRM C[C@@H]1CN(C(=O)NCCN2CCN(C(=O)[O-])CC2)C[C@@H]1N1CCOCC1 ZINC000826001894 603626696 /nfs/dbraw/zinc/62/66/96/603626696.db2.gz OLUWZYBAPCABOX-CABCVRRESA-N -1 0 369.466 -0.356 20 0 FBADRM C[C@H]1CN(C(=O)NCCN2CCN(C(=O)[O-])CC2)C[C@@H]1N1CCOCC1 ZINC000826001895 603626793 /nfs/dbraw/zinc/62/67/93/603626793.db2.gz OLUWZYBAPCABOX-GJZGRUSLSA-N -1 0 369.466 -0.356 20 0 FBADRM C[C@@H]1CN(C(=O)NCCN2CCN(C(=O)[O-])CC2)C[C@H]1N1CCOCC1 ZINC000826001896 603626474 /nfs/dbraw/zinc/62/64/74/603626474.db2.gz OLUWZYBAPCABOX-HUUCEWRRSA-N -1 0 369.466 -0.356 20 0 FBADRM C[C@H]1CN(C(=O)NCCN2CCN(C(=O)[O-])CC2)C[C@H]1N1CCOCC1 ZINC000826001897 603626786 /nfs/dbraw/zinc/62/67/86/603626786.db2.gz OLUWZYBAPCABOX-LSDHHAIUSA-N -1 0 369.466 -0.356 20 0 FBADRM C[C@@H]1CN(C(=O)NCCOCCS(C)(=O)=O)C[C@@H](C)N1C(=O)[O-] ZINC000826003071 603825061 /nfs/dbraw/zinc/82/50/61/603825061.db2.gz WIZUCMSYWWEXNM-GHMZBOCLSA-N -1 0 351.425 -0.170 20 0 FBADRM C[C@@H]1CN(C(=O)NCCOCCS(C)(=O)=O)C[C@H](C)N1C(=O)[O-] ZINC000826003072 603824833 /nfs/dbraw/zinc/82/48/33/603824833.db2.gz WIZUCMSYWWEXNM-PHIMTYICSA-N -1 0 351.425 -0.170 20 0 FBADRM C[C@H]1CN(C(=O)NCCOCCS(C)(=O)=O)C[C@H](C)N1C(=O)[O-] ZINC000826003073 603824943 /nfs/dbraw/zinc/82/49/43/603824943.db2.gz WIZUCMSYWWEXNM-QWRGUYRKSA-N -1 0 351.425 -0.170 20 0 FBADRM C[C@@H]1CN(C(=O)NCCOCCS(C)(=O)=O)CC[C@H]1NC(=O)[O-] ZINC000826003238 603824936 /nfs/dbraw/zinc/82/49/36/603824936.db2.gz XFVHSEYXOJTOFU-GHMZBOCLSA-N -1 0 351.425 -0.265 20 0 FBADRM C[C@@H]1CN(C(=O)NCCOCCS(C)(=O)=O)CC[C@@H]1NC(=O)[O-] ZINC000826003239 603824987 /nfs/dbraw/zinc/82/49/87/603824987.db2.gz XFVHSEYXOJTOFU-MNOVXSKESA-N -1 0 351.425 -0.265 20 0 FBADRM C[C@H]1CN(C(=O)NCCOCCS(C)(=O)=O)CC[C@@H]1NC(=O)[O-] ZINC000826003240 603825040 /nfs/dbraw/zinc/82/50/40/603825040.db2.gz XFVHSEYXOJTOFU-QWRGUYRKSA-N -1 0 351.425 -0.265 20 0 FBADRM C[C@H]1CN(C(=O)NCCOCCS(C)(=O)=O)CC[C@H]1NC(=O)[O-] ZINC000826003241 603825014 /nfs/dbraw/zinc/82/50/14/603825014.db2.gz XFVHSEYXOJTOFU-WDEREUQCSA-N -1 0 351.425 -0.265 20 0 FBADRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000826007868 601206553 /nfs/dbraw/zinc/20/65/53/601206553.db2.gz BKWWFIFXSYRCIG-GWCFXTLKSA-N -1 0 360.370 -0.375 20 0 FBADRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000826007871 601206535 /nfs/dbraw/zinc/20/65/35/601206535.db2.gz BKWWFIFXSYRCIG-GXFFZTMASA-N -1 0 360.370 -0.375 20 0 FBADRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000826007873 601206586 /nfs/dbraw/zinc/20/65/86/601206586.db2.gz BKWWFIFXSYRCIG-MFKMUULPSA-N -1 0 360.370 -0.375 20 0 FBADRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000826007875 601206646 /nfs/dbraw/zinc/20/66/46/601206646.db2.gz BKWWFIFXSYRCIG-ZWNOBZJWSA-N -1 0 360.370 -0.375 20 0 FBADRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCn2c(CO)nnc2C1 ZINC000826008473 601042467 /nfs/dbraw/zinc/04/24/67/601042467.db2.gz IYWFTOUAGNADQB-LLVKDONJSA-N -1 0 359.386 -0.011 20 0 FBADRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCn2c(CO)nnc2C1 ZINC000826008474 601042370 /nfs/dbraw/zinc/04/23/70/601042370.db2.gz IYWFTOUAGNADQB-NSHDSACASA-N -1 0 359.386 -0.011 20 0 FBADRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000826008746 601132964 /nfs/dbraw/zinc/13/29/64/601132964.db2.gz MMQJGLBVYXSYQP-BXUZGUMPSA-N -1 0 374.397 -0.968 20 0 FBADRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000826008747 601132791 /nfs/dbraw/zinc/13/27/91/601132791.db2.gz MMQJGLBVYXSYQP-FZMZJTMJSA-N -1 0 374.397 -0.968 20 0 FBADRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000826008748 601133033 /nfs/dbraw/zinc/13/30/33/601133033.db2.gz MMQJGLBVYXSYQP-RISCZKNCSA-N -1 0 374.397 -0.968 20 0 FBADRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000826008749 601133062 /nfs/dbraw/zinc/13/30/62/601133062.db2.gz MMQJGLBVYXSYQP-SMDDNHRTSA-N -1 0 374.397 -0.968 20 0 FBADRM CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826009927 608141066 /nfs/dbraw/zinc/14/10/66/608141066.db2.gz AAARIDXUEPIOEX-NSHDSACASA-N -1 0 364.387 -0.567 20 0 FBADRM CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826010439 608141215 /nfs/dbraw/zinc/14/12/15/608141215.db2.gz IXEBTIWRRYJICO-JTQLQIEISA-N -1 0 350.360 -0.708 20 0 FBADRM CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[nH]n1 ZINC000826010658 608140970 /nfs/dbraw/zinc/14/09/70/608140970.db2.gz NETIEIXFQMDSSY-NSHDSACASA-N -1 0 364.387 -0.567 20 0 FBADRM CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000826010672 608142032 /nfs/dbraw/zinc/14/20/32/608142032.db2.gz NRNXMGXKCUHDEQ-NSHDSACASA-N -1 0 364.387 -0.567 20 0 FBADRM CN(c1nc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)cs1)C1CC1 ZINC000826010994 608095451 /nfs/dbraw/zinc/09/54/51/608095451.db2.gz SWBWTMBSXMIUGW-UHFFFAOYSA-N -1 0 360.403 -0.170 20 0 FBADRM CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826011097 608141096 /nfs/dbraw/zinc/14/10/96/608141096.db2.gz WSTXUHXDNYJGLT-JTQLQIEISA-N -1 0 350.360 -0.708 20 0 FBADRM CN1C(=O)CN([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1=O ZINC000826016281 609435082 /nfs/dbraw/zinc/43/50/82/609435082.db2.gz BROHPSRCAKSZRP-UHFFFAOYSA-N -1 0 371.766 -0.393 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]c3n[nH]cc3-c3nn[nH]n3)cc2C1=O ZINC000826016743 608306572 /nfs/dbraw/zinc/30/65/72/608306572.db2.gz FWBFWVHTWRABMM-UHFFFAOYSA-N -1 0 374.342 -0.384 20 0 FBADRM CN1C(=O)CN([N-]S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)C1=O ZINC000826017989 609435446 /nfs/dbraw/zinc/43/54/46/609435446.db2.gz QBGDAJVAIZFNSE-UHFFFAOYSA-N -1 0 355.311 -0.907 20 0 FBADRM CN1C(=O)CN([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)C1=O ZINC000826018256 609435434 /nfs/dbraw/zinc/43/54/34/609435434.db2.gz SXJFBEBVLNFHHU-UHFFFAOYSA-N -1 0 371.766 -0.393 20 0 FBADRM CN1C(=O)CN([N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1=O ZINC000826018375 609435255 /nfs/dbraw/zinc/43/52/55/609435255.db2.gz XESJIFHQIPSHIG-UHFFFAOYSA-N -1 0 373.301 -0.768 20 0 FBADRM C[C@@H]1CN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)C[C@H](C)N1C(=O)[O-] ZINC000826019234 661107301 /nfs/dbraw/zinc/10/73/01/661107301.db2.gz AWFTVZMIKXPJFB-AOOOYVTPSA-N -1 0 353.383 -0.029 20 0 FBADRM C[C@@H]1CN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)C[C@@H](C)N1C(=O)[O-] ZINC000826019238 661107256 /nfs/dbraw/zinc/10/72/56/661107256.db2.gz AWFTVZMIKXPJFB-NXEZZACHSA-N -1 0 353.383 -0.029 20 0 FBADRM C[C@H]1CN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)C[C@H](C)N1C(=O)[O-] ZINC000826019240 661107287 /nfs/dbraw/zinc/10/72/87/661107287.db2.gz AWFTVZMIKXPJFB-UWVGGRQHSA-N -1 0 353.383 -0.029 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000826019753 604145795 /nfs/dbraw/zinc/14/57/95/604145795.db2.gz HQIJHUAVNGPANC-JTQLQIEISA-N -1 0 359.346 -0.189 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000826019754 604145948 /nfs/dbraw/zinc/14/59/48/604145948.db2.gz HQIJHUAVNGPANC-SNVBAGLBSA-N -1 0 359.346 -0.189 20 0 FBADRM C[C@@H]1CN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC[C@H]1NC(=O)[O-] ZINC000826020968 661107293 /nfs/dbraw/zinc/10/72/93/661107293.db2.gz PXVQWVHGLRNVPI-NXEZZACHSA-N -1 0 353.383 -0.124 20 0 FBADRM C[C@H]1CN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC[C@@H]1NC(=O)[O-] ZINC000826020970 661107264 /nfs/dbraw/zinc/10/72/64/661107264.db2.gz PXVQWVHGLRNVPI-UWVGGRQHSA-N -1 0 353.383 -0.124 20 0 FBADRM C[C@H]1CN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC[C@H]1NC(=O)[O-] ZINC000826020971 661107289 /nfs/dbraw/zinc/10/72/89/661107289.db2.gz PXVQWVHGLRNVPI-VHSXEESVSA-N -1 0 353.383 -0.124 20 0 FBADRM C[C@@H]1CN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC[C@@H]1NC(=O)[O-] ZINC000826020973 661107217 /nfs/dbraw/zinc/10/72/17/661107217.db2.gz PXVQWVHGLRNVPI-ZJUUUORDSA-N -1 0 353.383 -0.124 20 0 FBADRM C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCO[C@H](CC(=O)[O-])C1 ZINC000826021423 601571387 /nfs/dbraw/zinc/57/13/87/601571387.db2.gz QLWVIYIFZBCSLH-CMPLNLGQSA-N -1 0 371.415 -0.164 20 0 FBADRM C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000826021424 601571404 /nfs/dbraw/zinc/57/14/04/601571404.db2.gz QLWVIYIFZBCSLH-JQWIXIFHSA-N -1 0 371.415 -0.164 20 0 FBADRM C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000826021425 601571136 /nfs/dbraw/zinc/57/11/36/601571136.db2.gz QLWVIYIFZBCSLH-PWSUYJOCSA-N -1 0 371.415 -0.164 20 0 FBADRM C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCO[C@H](CC(=O)[O-])C1 ZINC000826021426 601571272 /nfs/dbraw/zinc/57/12/72/601571272.db2.gz QLWVIYIFZBCSLH-ZYHUDNBSSA-N -1 0 371.415 -0.164 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000826021503 604145680 /nfs/dbraw/zinc/14/56/80/604145680.db2.gz TWAHQQVVAJLJEE-JTQLQIEISA-N -1 0 366.378 -0.880 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000826021505 604145789 /nfs/dbraw/zinc/14/57/89/604145789.db2.gz TWAHQQVVAJLJEE-SNVBAGLBSA-N -1 0 366.378 -0.880 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000826021726 603936126 /nfs/dbraw/zinc/93/61/26/603936126.db2.gz WCGNCMXTNPWZRK-BXKDBHETSA-N -1 0 354.388 -0.073 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000826021727 603936181 /nfs/dbraw/zinc/93/61/81/603936181.db2.gz WCGNCMXTNPWZRK-CABZTGNLSA-N -1 0 354.388 -0.073 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000826021728 603936237 /nfs/dbraw/zinc/93/62/37/603936237.db2.gz WCGNCMXTNPWZRK-JOYOIKCWSA-N -1 0 354.388 -0.073 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000826021729 603936028 /nfs/dbraw/zinc/93/60/28/603936028.db2.gz WCGNCMXTNPWZRK-SKDRFNHKSA-N -1 0 354.388 -0.073 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000826021845 604145968 /nfs/dbraw/zinc/14/59/68/604145968.db2.gz XQJOOASGJZPSDW-JTQLQIEISA-N -1 0 363.374 -0.067 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000826021847 604145720 /nfs/dbraw/zinc/14/57/20/604145720.db2.gz XQJOOASGJZPSDW-SNVBAGLBSA-N -1 0 363.374 -0.067 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000826022120 603775964 /nfs/dbraw/zinc/77/59/64/603775964.db2.gz ZFRZJUZMCCSOET-JTQLQIEISA-N -1 0 366.378 -0.880 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000826022121 603776104 /nfs/dbraw/zinc/77/61/04/603776104.db2.gz ZFRZJUZMCCSOET-SNVBAGLBSA-N -1 0 366.378 -0.880 20 0 FBADRM C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCO[C@H](CC(=O)[O-])C1 ZINC000826022182 601572403 /nfs/dbraw/zinc/57/24/03/601572403.db2.gz YKAVVKBLAOWLBG-CMPLNLGQSA-N -1 0 371.415 -0.164 20 0 FBADRM C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000826022183 601572264 /nfs/dbraw/zinc/57/22/64/601572264.db2.gz YKAVVKBLAOWLBG-JQWIXIFHSA-N -1 0 371.415 -0.164 20 0 FBADRM C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000826022184 601572122 /nfs/dbraw/zinc/57/21/22/601572122.db2.gz YKAVVKBLAOWLBG-PWSUYJOCSA-N -1 0 371.415 -0.164 20 0 FBADRM C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCO[C@H](CC(=O)[O-])C1 ZINC000826022185 601572395 /nfs/dbraw/zinc/57/23/95/601572395.db2.gz YKAVVKBLAOWLBG-ZYHUDNBSSA-N -1 0 371.415 -0.164 20 0 FBADRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000826027597 602902053 /nfs/dbraw/zinc/90/20/53/602902053.db2.gz VJNBBENLXNUWOG-JTQLQIEISA-N -1 0 369.399 -0.230 20 0 FBADRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000826027607 602901754 /nfs/dbraw/zinc/90/17/54/602901754.db2.gz VJNBBENLXNUWOG-SNVBAGLBSA-N -1 0 369.399 -0.230 20 0 FBADRM C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CCN1C(=O)[O-] ZINC000826034963 602997278 /nfs/dbraw/zinc/99/72/78/602997278.db2.gz MXIBKQNQSMQZAJ-JTQLQIEISA-N -1 0 369.399 -0.230 20 0 FBADRM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CCN1C(=O)[O-] ZINC000826034964 602997316 /nfs/dbraw/zinc/99/73/16/602997316.db2.gz MXIBKQNQSMQZAJ-SNVBAGLBSA-N -1 0 369.399 -0.230 20 0 FBADRM CN1Cc2cc(Oc3c(-c4nnn[n-]4)c(=O)n(C)c(=O)n3C)ccc2C1=O ZINC000826044363 608553885 /nfs/dbraw/zinc/55/38/85/608553885.db2.gz FDXZBNBJDNQCDY-UHFFFAOYSA-N -1 0 369.341 -0.358 20 0 FBADRM CN1CCc2ccc(Nc3c(-c4nnn[n-]4)c(=O)n(C)c(=O)n3C)cc21 ZINC000826045294 608587241 /nfs/dbraw/zinc/58/72/41/608587241.db2.gz TYWJIHLQZBUIGI-UHFFFAOYSA-N -1 0 354.374 0.000 20 0 FBADRM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000826046871 604126191 /nfs/dbraw/zinc/12/61/91/604126191.db2.gz AHKFSYOBPQUNRL-ILXRZTDVSA-N -1 0 369.466 -0.215 20 0 FBADRM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000826046872 604126206 /nfs/dbraw/zinc/12/62/06/604126206.db2.gz AHKFSYOBPQUNRL-KFWWJZLASA-N -1 0 369.466 -0.215 20 0 FBADRM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000826046873 604126223 /nfs/dbraw/zinc/12/62/23/604126223.db2.gz AHKFSYOBPQUNRL-QLFBSQMISA-N -1 0 369.466 -0.215 20 0 FBADRM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000826046874 604126353 /nfs/dbraw/zinc/12/63/53/604126353.db2.gz AHKFSYOBPQUNRL-RBSFLKMASA-N -1 0 369.466 -0.215 20 0 FBADRM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826047195 604840611 /nfs/dbraw/zinc/84/06/11/604840611.db2.gz CDBAQGUCFHGUIX-ILXRZTDVSA-N -1 0 370.450 -0.772 20 0 FBADRM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826047196 604840890 /nfs/dbraw/zinc/84/08/90/604840890.db2.gz CDBAQGUCFHGUIX-KFWWJZLASA-N -1 0 370.450 -0.772 20 0 FBADRM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000826047197 604840936 /nfs/dbraw/zinc/84/09/36/604840936.db2.gz CDBAQGUCFHGUIX-QLFBSQMISA-N -1 0 370.450 -0.772 20 0 FBADRM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000826047198 604840677 /nfs/dbraw/zinc/84/06/77/604840677.db2.gz CDBAQGUCFHGUIX-RBSFLKMASA-N -1 0 370.450 -0.772 20 0 FBADRM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)CC1CN(C(=O)[O-])C1 ZINC000826048824 603759234 /nfs/dbraw/zinc/75/92/34/603759234.db2.gz JVPWBDZNBOQHPZ-DZGCQCFKSA-N -1 0 354.451 -0.150 20 0 FBADRM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)CC1CN(C(=O)[O-])C1 ZINC000826048825 603759380 /nfs/dbraw/zinc/75/93/80/603759380.db2.gz JVPWBDZNBOQHPZ-HIFRSBDPSA-N -1 0 354.451 -0.150 20 0 FBADRM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)CC1CN(C(=O)[O-])C1 ZINC000826048827 603759064 /nfs/dbraw/zinc/75/90/64/603759064.db2.gz JVPWBDZNBOQHPZ-UKRRQHHQSA-N -1 0 354.451 -0.150 20 0 FBADRM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)CC1CN(C(=O)[O-])C1 ZINC000826048829 603759122 /nfs/dbraw/zinc/75/91/22/603759122.db2.gz JVPWBDZNBOQHPZ-ZFWWWQNUSA-N -1 0 354.451 -0.150 20 0 FBADRM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)NC1CN(C(=O)[O-])C1 ZINC000826049787 604613389 /nfs/dbraw/zinc/61/33/89/604613389.db2.gz OCSJAQBQDUHZNY-GXTWGEPZSA-N -1 0 355.439 -0.605 20 0 FBADRM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)NC1CN(C(=O)[O-])C1 ZINC000826049788 604613620 /nfs/dbraw/zinc/61/36/20/604613620.db2.gz OCSJAQBQDUHZNY-JSGCOSHPSA-N -1 0 355.439 -0.605 20 0 FBADRM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)NC1CN(C(=O)[O-])C1 ZINC000826049790 604613275 /nfs/dbraw/zinc/61/32/75/604613275.db2.gz OCSJAQBQDUHZNY-OCCSQVGLSA-N -1 0 355.439 -0.605 20 0 FBADRM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)NC1CN(C(=O)[O-])C1 ZINC000826049792 604613525 /nfs/dbraw/zinc/61/35/25/604613525.db2.gz OCSJAQBQDUHZNY-TZMCWYRMSA-N -1 0 355.439 -0.605 20 0 FBADRM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000826050023 603883756 /nfs/dbraw/zinc/88/37/56/603883756.db2.gz QWDKUIQJGKGSKA-CKEIUWERSA-N -1 0 372.441 -0.058 20 0 FBADRM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000826050024 603883566 /nfs/dbraw/zinc/88/35/66/603883566.db2.gz QWDKUIQJGKGSKA-CPUCHLNUSA-N -1 0 372.441 -0.058 20 0 FBADRM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000826050025 603883689 /nfs/dbraw/zinc/88/36/89/603883689.db2.gz QWDKUIQJGKGSKA-JKIFEVAISA-N -1 0 372.441 -0.058 20 0 FBADRM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000826050026 603883464 /nfs/dbraw/zinc/88/34/64/603883464.db2.gz QWDKUIQJGKGSKA-KEYYUXOJSA-N -1 0 372.441 -0.058 20 0 FBADRM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)NCCN(C)C(=O)[O-] ZINC000826050113 604112095 /nfs/dbraw/zinc/11/20/95/604112095.db2.gz SAUVOLHINRBTAO-KBPBESRZSA-N -1 0 357.455 -0.358 20 0 FBADRM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)NCCN(C)C(=O)[O-] ZINC000826050114 604112367 /nfs/dbraw/zinc/11/23/67/604112367.db2.gz SAUVOLHINRBTAO-KGLIPLIRSA-N -1 0 357.455 -0.358 20 0 FBADRM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)NCCN(C)C(=O)[O-] ZINC000826050115 604112144 /nfs/dbraw/zinc/11/21/44/604112144.db2.gz SAUVOLHINRBTAO-UONOGXRCSA-N -1 0 357.455 -0.358 20 0 FBADRM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)NCCN(C)C(=O)[O-] ZINC000826050116 604112211 /nfs/dbraw/zinc/11/22/11/604112211.db2.gz SAUVOLHINRBTAO-ZIAGYGMSSA-N -1 0 357.455 -0.358 20 0 FBADRM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)COCCNC(=O)[O-])[C@H](C)C1 ZINC000826068566 603461648 /nfs/dbraw/zinc/46/16/48/603461648.db2.gz PHOHAQHTTLSQGJ-NEPJUHHUSA-N -1 0 365.452 -0.165 20 0 FBADRM CC(C)S(=O)(=O)N1CC[C@@H](NC(=O)COCCNC(=O)[O-])[C@@H](C)C1 ZINC000826068567 603462027 /nfs/dbraw/zinc/46/20/27/603462027.db2.gz PHOHAQHTTLSQGJ-NWDGAFQWSA-N -1 0 365.452 -0.165 20 0 FBADRM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)COCCNC(=O)[O-])[C@@H](C)C1 ZINC000826068568 603461891 /nfs/dbraw/zinc/46/18/91/603461891.db2.gz PHOHAQHTTLSQGJ-RYUDHWBXSA-N -1 0 365.452 -0.165 20 0 FBADRM CC(C)S(=O)(=O)N1CC[C@@H](NC(=O)COCCNC(=O)[O-])[C@H](C)C1 ZINC000826068569 603462125 /nfs/dbraw/zinc/46/21/25/603462125.db2.gz PHOHAQHTTLSQGJ-VXGBXAGGSA-N -1 0 365.452 -0.165 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[nH]n2)cn1C ZINC000826068681 608306705 /nfs/dbraw/zinc/30/67/05/608306705.db2.gz WGYYYVZOMWGBSF-UHFFFAOYSA-N -1 0 351.352 -0.911 20 0 FBADRM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(CCC(=O)[O-])CC1 ZINC000826072609 601845109 /nfs/dbraw/zinc/84/51/09/601845109.db2.gz YPZKBVKZFXHEFL-JTQLQIEISA-N -1 0 366.418 -0.186 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(CCC(=O)[O-])CC1 ZINC000826072610 601845305 /nfs/dbraw/zinc/84/53/05/601845305.db2.gz YPZKBVKZFXHEFL-SNVBAGLBSA-N -1 0 366.418 -0.186 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NCCCN(C)C(=O)[O-] ZINC000826073752 603624492 /nfs/dbraw/zinc/62/44/92/603624492.db2.gz BMVXEFNVYSVXSS-GHMZBOCLSA-N -1 0 350.441 -0.045 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NCCCN(C)C(=O)[O-] ZINC000826073753 603624777 /nfs/dbraw/zinc/62/47/77/603624777.db2.gz BMVXEFNVYSVXSS-MNOVXSKESA-N -1 0 350.441 -0.045 20 0 FBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NCCCN(C)C(=O)[O-] ZINC000826073754 603624770 /nfs/dbraw/zinc/62/47/70/603624770.db2.gz BMVXEFNVYSVXSS-QWRGUYRKSA-N -1 0 350.441 -0.045 20 0 FBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NCCCN(C)C(=O)[O-] ZINC000826073755 603624553 /nfs/dbraw/zinc/62/45/53/603624553.db2.gz BMVXEFNVYSVXSS-WDEREUQCSA-N -1 0 350.441 -0.045 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000826073825 604495852 /nfs/dbraw/zinc/49/58/52/604495852.db2.gz DCAVTALOIIQZKC-KKOKHZNYSA-N -1 0 351.425 -0.303 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000826073826 604495928 /nfs/dbraw/zinc/49/59/28/604495928.db2.gz DCAVTALOIIQZKC-KXNHARMFSA-N -1 0 351.425 -0.303 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000826073827 604495837 /nfs/dbraw/zinc/49/58/37/604495837.db2.gz DCAVTALOIIQZKC-USZNOCQGSA-N -1 0 351.425 -0.303 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000826073828 604495848 /nfs/dbraw/zinc/49/58/48/604495848.db2.gz DCAVTALOIIQZKC-WYUUTHIRSA-N -1 0 351.425 -0.303 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000826073916 603675840 /nfs/dbraw/zinc/67/58/40/603675840.db2.gz FBKBVSSIAZWBEG-GMTAPVOTSA-N -1 0 350.441 -0.046 20 0 FBADRM C[C@H](CNC(=O)[O-])N(C)C(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000826073917 603675830 /nfs/dbraw/zinc/67/58/30/603675830.db2.gz FBKBVSSIAZWBEG-MXWKQRLJSA-N -1 0 350.441 -0.046 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000826073918 603675622 /nfs/dbraw/zinc/67/56/22/603675622.db2.gz FBKBVSSIAZWBEG-OUAUKWLOSA-N -1 0 350.441 -0.046 20 0 FBADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000826073919 603675581 /nfs/dbraw/zinc/67/55/81/603675581.db2.gz FBKBVSSIAZWBEG-VWYCJHECSA-N -1 0 350.441 -0.046 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)N(C)CCCNC(=O)[O-] ZINC000826074110 603675558 /nfs/dbraw/zinc/67/55/58/603675558.db2.gz HZFNRNCPBUZQKR-GHMZBOCLSA-N -1 0 350.441 -0.045 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)N(C)CCCNC(=O)[O-] ZINC000826074111 603675571 /nfs/dbraw/zinc/67/55/71/603675571.db2.gz HZFNRNCPBUZQKR-MNOVXSKESA-N -1 0 350.441 -0.045 20 0 FBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)N(C)CCCNC(=O)[O-] ZINC000826074112 603675507 /nfs/dbraw/zinc/67/55/07/603675507.db2.gz HZFNRNCPBUZQKR-QWRGUYRKSA-N -1 0 350.441 -0.045 20 0 FBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)N(C)CCCNC(=O)[O-] ZINC000826074113 603675482 /nfs/dbraw/zinc/67/54/82/603675482.db2.gz HZFNRNCPBUZQKR-WDEREUQCSA-N -1 0 350.441 -0.045 20 0 FBADRM C[C@H]1CN(S(=O)(=O)N2CCN(CCNC(=O)[O-])CC2)C[C@H](C)O1 ZINC000826074134 604357344 /nfs/dbraw/zinc/35/73/44/604357344.db2.gz IFDIZTIKYQPXQI-RYUDHWBXSA-N -1 0 350.441 -0.774 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N2CCN(CCNC(=O)[O-])CC2)C[C@H](C)O1 ZINC000826074135 604357007 /nfs/dbraw/zinc/35/70/07/604357007.db2.gz IFDIZTIKYQPXQI-TXEJJXNPSA-N -1 0 350.441 -0.774 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N2CCN(CCNC(=O)[O-])CC2)C[C@@H](C)O1 ZINC000826074136 604356722 /nfs/dbraw/zinc/35/67/22/604356722.db2.gz IFDIZTIKYQPXQI-VXGBXAGGSA-N -1 0 350.441 -0.774 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000826074221 604888028 /nfs/dbraw/zinc/88/80/28/604888028.db2.gz JPFXSQMZBWKQIT-GRYCIOLGSA-N -1 0 363.436 -0.459 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826074222 604887644 /nfs/dbraw/zinc/88/76/44/604887644.db2.gz JPFXSQMZBWKQIT-IJLUTSLNSA-N -1 0 363.436 -0.459 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826074223 604887961 /nfs/dbraw/zinc/88/79/61/604887961.db2.gz JPFXSQMZBWKQIT-UTUOFQBUSA-N -1 0 363.436 -0.459 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000826074224 604887678 /nfs/dbraw/zinc/88/76/78/604887678.db2.gz JPFXSQMZBWKQIT-WOPDTQHZSA-N -1 0 363.436 -0.459 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCN1C(=O)[O-] ZINC000826074320 603121668 /nfs/dbraw/zinc/12/16/68/603121668.db2.gz LHYQZOCXEQADGE-MRVPVSSYSA-N -1 0 368.371 -0.411 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCN1C(=O)[O-] ZINC000826074321 603121681 /nfs/dbraw/zinc/12/16/81/603121681.db2.gz LHYQZOCXEQADGE-QMMMGPOBSA-N -1 0 368.371 -0.411 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CCN1C(=O)[O-] ZINC000826074550 603121760 /nfs/dbraw/zinc/12/17/60/603121760.db2.gz NUPZNIZGGYMQJG-SECBINFHSA-N -1 0 363.417 -0.293 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CCN1C(=O)[O-] ZINC000826074551 603121869 /nfs/dbraw/zinc/12/18/69/603121869.db2.gz NUPZNIZGGYMQJG-VIFPVBQESA-N -1 0 363.417 -0.293 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)NCCCN2CCN(C(=O)[O-])CC2)C[C@H](C)O1 ZINC000826074793 603910078 /nfs/dbraw/zinc/91/00/78/603910078.db2.gz QWPBPIBZDURZOT-BETUJISGSA-N -1 0 364.468 -0.384 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)NCCCN2CCN(C(=O)[O-])CC2)C[C@@H](C)O1 ZINC000826074801 603910275 /nfs/dbraw/zinc/91/02/75/603910275.db2.gz QWPBPIBZDURZOT-CHWSQXEVSA-N -1 0 364.468 -0.384 20 0 FBADRM C[C@H]1CN(S(=O)(=O)NCCCN2CCN(C(=O)[O-])CC2)C[C@H](C)O1 ZINC000826074802 603909651 /nfs/dbraw/zinc/90/96/51/603909651.db2.gz QWPBPIBZDURZOT-STQMWFEESA-N -1 0 364.468 -0.384 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CCN1C(=O)[O-] ZINC000826074835 603122003 /nfs/dbraw/zinc/12/20/03/603122003.db2.gz RCTTZNCATSWBIK-SECBINFHSA-N -1 0 363.417 -0.293 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CCN1C(=O)[O-] ZINC000826074837 603121729 /nfs/dbraw/zinc/12/17/29/603121729.db2.gz RCTTZNCATSWBIK-VIFPVBQESA-N -1 0 363.417 -0.293 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000826075317 603675515 /nfs/dbraw/zinc/67/55/15/603675515.db2.gz WFBPJDIECYDRME-GRYCIOLGSA-N -1 0 362.452 -0.045 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000826075319 603675789 /nfs/dbraw/zinc/67/57/89/603675789.db2.gz WFBPJDIECYDRME-IJLUTSLNSA-N -1 0 362.452 -0.045 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000826075321 603675826 /nfs/dbraw/zinc/67/58/26/603675826.db2.gz WFBPJDIECYDRME-UTUOFQBUSA-N -1 0 362.452 -0.045 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000826075323 603675720 /nfs/dbraw/zinc/67/57/20/603675720.db2.gz WFBPJDIECYDRME-WOPDTQHZSA-N -1 0 362.452 -0.045 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])C[C@H](C)O1 ZINC000826075494 603595989 /nfs/dbraw/zinc/59/59/89/603595989.db2.gz YFFPUNREAPXQPE-GRYCIOLGSA-N -1 0 350.441 -0.776 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])C[C@@H](C)O1 ZINC000826075496 603595834 /nfs/dbraw/zinc/59/58/34/603595834.db2.gz YFFPUNREAPXQPE-IJLUTSLNSA-N -1 0 350.441 -0.776 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])C[C@H](C)O1 ZINC000826075498 603596687 /nfs/dbraw/zinc/59/66/87/603596687.db2.gz YFFPUNREAPXQPE-TUAOUCFPSA-N -1 0 350.441 -0.776 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])C[C@@H](C)O1 ZINC000826075500 603597046 /nfs/dbraw/zinc/59/70/46/603597046.db2.gz YFFPUNREAPXQPE-UTUOFQBUSA-N -1 0 350.441 -0.776 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000826075540 603462491 /nfs/dbraw/zinc/46/24/91/603462491.db2.gz YPGDRYXZUBZPBB-BREBYQMCSA-N -1 0 351.400 -0.135 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000826075545 603462466 /nfs/dbraw/zinc/46/24/66/603462466.db2.gz YPGDRYXZUBZPBB-GBIKHYSHSA-N -1 0 351.400 -0.135 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000826075546 603462630 /nfs/dbraw/zinc/46/26/30/603462630.db2.gz YPGDRYXZUBZPBB-GIPNMCIBSA-N -1 0 351.400 -0.135 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000826075547 603462942 /nfs/dbraw/zinc/46/29/42/603462942.db2.gz YPGDRYXZUBZPBB-NRUUGDAUSA-N -1 0 351.400 -0.135 20 0 FBADRM C[C@@H]1CN=C(N2CCN(C(=O)CN3CCN(C(=O)[O-])CC3=O)CC2)S1 ZINC000826087700 603635805 /nfs/dbraw/zinc/63/58/05/603635805.db2.gz QYKXLSVFEXQZAH-LLVKDONJSA-N -1 0 369.447 -0.556 20 0 FBADRM C[C@H]1CN=C(N2CCN(C(=O)CN3CCN(C(=O)[O-])CC3=O)CC2)S1 ZINC000826087701 603635913 /nfs/dbraw/zinc/63/59/13/603635913.db2.gz QYKXLSVFEXQZAH-NSHDSACASA-N -1 0 369.447 -0.556 20 0 FBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000826093616 603998324 /nfs/dbraw/zinc/99/83/24/603998324.db2.gz INGDTYUKXJWJKL-GFCCVEGCSA-N -1 0 362.452 -0.499 20 0 FBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000826093617 603998577 /nfs/dbraw/zinc/99/85/77/603998577.db2.gz INGDTYUKXJWJKL-LBPRGKRZSA-N -1 0 362.452 -0.499 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000826099223 603642818 /nfs/dbraw/zinc/64/28/18/603642818.db2.gz AZZCAQOTZBWIGV-BDAKNGLRSA-N -1 0 354.363 -0.310 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000826099224 603642770 /nfs/dbraw/zinc/64/27/70/603642770.db2.gz AZZCAQOTZBWIGV-DTWKUNHWSA-N -1 0 354.363 -0.310 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000826099225 603643054 /nfs/dbraw/zinc/64/30/54/603643054.db2.gz AZZCAQOTZBWIGV-IUCAKERBSA-N -1 0 354.363 -0.310 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000826099226 603643208 /nfs/dbraw/zinc/64/32/08/603643208.db2.gz AZZCAQOTZBWIGV-RKDXNWHRSA-N -1 0 354.363 -0.310 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000826099315 603722846 /nfs/dbraw/zinc/72/28/46/603722846.db2.gz COBCHNJVMWQGHR-IQMYEBEASA-N -1 0 354.363 -0.358 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000826099316 603722811 /nfs/dbraw/zinc/72/28/11/603722811.db2.gz COBCHNJVMWQGHR-KOSWAMCASA-N -1 0 354.363 -0.358 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000826099317 603722990 /nfs/dbraw/zinc/72/29/90/603722990.db2.gz COBCHNJVMWQGHR-QQXLSSBLSA-N -1 0 354.363 -0.358 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000826099318 603723026 /nfs/dbraw/zinc/72/30/26/603723026.db2.gz COBCHNJVMWQGHR-UTEYVOQOSA-N -1 0 354.363 -0.358 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000826099845 603562694 /nfs/dbraw/zinc/56/26/94/603562694.db2.gz GJPJFNCAUYWUKU-AVGNSLFASA-N -1 0 359.423 -0.359 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000826099846 603562742 /nfs/dbraw/zinc/56/27/42/603562742.db2.gz GJPJFNCAUYWUKU-RWMBFGLXSA-N -1 0 359.423 -0.359 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000826099847 603562728 /nfs/dbraw/zinc/56/27/28/603562728.db2.gz GJPJFNCAUYWUKU-XQQFMLRXSA-N -1 0 359.423 -0.359 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000826099848 603562809 /nfs/dbraw/zinc/56/28/09/603562809.db2.gz GJPJFNCAUYWUKU-YNEHKIRRSA-N -1 0 359.423 -0.359 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000826101154 603684169 /nfs/dbraw/zinc/68/41/69/603684169.db2.gz MHMBFQNJESPKPA-GHMZBOCLSA-N -1 0 356.423 -0.102 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000826101156 603684684 /nfs/dbraw/zinc/68/46/84/603684684.db2.gz MHMBFQNJESPKPA-MNOVXSKESA-N -1 0 356.423 -0.102 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000826101157 603684592 /nfs/dbraw/zinc/68/45/92/603684592.db2.gz MHMBFQNJESPKPA-QWRGUYRKSA-N -1 0 356.423 -0.102 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000826101158 603685040 /nfs/dbraw/zinc/68/50/40/603685040.db2.gz MHMBFQNJESPKPA-WDEREUQCSA-N -1 0 356.423 -0.102 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000826102302 603633932 /nfs/dbraw/zinc/63/39/32/603633932.db2.gz XARZZOHSSLWEGD-AAEUAGOBSA-N -1 0 356.423 -0.278 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000826102303 603633952 /nfs/dbraw/zinc/63/39/52/603633952.db2.gz XARZZOHSSLWEGD-DGCLKSJQSA-N -1 0 356.423 -0.278 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000826102304 603634231 /nfs/dbraw/zinc/63/42/31/603634231.db2.gz XARZZOHSSLWEGD-WCQYABFASA-N -1 0 356.423 -0.278 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000826102305 603634143 /nfs/dbraw/zinc/63/41/43/603634143.db2.gz XARZZOHSSLWEGD-YPMHNXCESA-N -1 0 356.423 -0.278 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCC(C(=O)NCCO)CC1 ZINC000826102324 605435108 /nfs/dbraw/zinc/43/51/08/605435108.db2.gz XHJWRDWAPGVEBL-CMPLNLGQSA-N -1 0 357.407 -0.163 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCC(C(=O)NCCO)CC1 ZINC000826102325 605435495 /nfs/dbraw/zinc/43/54/95/605435495.db2.gz XHJWRDWAPGVEBL-JQWIXIFHSA-N -1 0 357.407 -0.163 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCC(C(=O)NCCO)CC1 ZINC000826102326 605435491 /nfs/dbraw/zinc/43/54/91/605435491.db2.gz XHJWRDWAPGVEBL-PWSUYJOCSA-N -1 0 357.407 -0.163 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCC(C(=O)NCCO)CC1 ZINC000826102327 605435439 /nfs/dbraw/zinc/43/54/39/605435439.db2.gz XHJWRDWAPGVEBL-ZYHUDNBSSA-N -1 0 357.407 -0.163 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N(C)CCN1CCCS1(=O)=O ZINC000826102332 603802880 /nfs/dbraw/zinc/80/28/80/603802880.db2.gz XLSKIUBKMZGONL-GHMZBOCLSA-N -1 0 363.436 -0.016 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N(C)CCN1CCCS1(=O)=O ZINC000826102333 603803149 /nfs/dbraw/zinc/80/31/49/603803149.db2.gz XLSKIUBKMZGONL-MNOVXSKESA-N -1 0 363.436 -0.016 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N(C)CCN1CCCS1(=O)=O ZINC000826102334 603803155 /nfs/dbraw/zinc/80/31/55/603803155.db2.gz XLSKIUBKMZGONL-QWRGUYRKSA-N -1 0 363.436 -0.016 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N(C)CCN1CCCS1(=O)=O ZINC000826102335 603802789 /nfs/dbraw/zinc/80/27/89/603802789.db2.gz XLSKIUBKMZGONL-WDEREUQCSA-N -1 0 363.436 -0.016 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCN(CCn2cncn2)CC1 ZINC000826102424 603450231 /nfs/dbraw/zinc/45/02/31/603450231.db2.gz YKOVEDRWQRYEOR-CHWSQXEVSA-N -1 0 366.422 -0.074 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCN(CCn2cncn2)CC1 ZINC000826102425 603450214 /nfs/dbraw/zinc/45/02/14/603450214.db2.gz YKOVEDRWQRYEOR-OLZOCXBDSA-N -1 0 366.422 -0.074 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCN(CCn2cncn2)CC1 ZINC000826102426 603450509 /nfs/dbraw/zinc/45/05/09/603450509.db2.gz YKOVEDRWQRYEOR-QWHCGFSZSA-N -1 0 366.422 -0.074 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCN(CCn2cncn2)CC1 ZINC000826102427 603450288 /nfs/dbraw/zinc/45/02/88/603450288.db2.gz YKOVEDRWQRYEOR-STQMWFEESA-N -1 0 366.422 -0.074 20 0 FBADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)cc1 ZINC000826105331 601483208 /nfs/dbraw/zinc/48/32/08/601483208.db2.gz AXFJYNUUEMISMS-BETUJISGSA-N -1 0 350.371 -0.059 20 0 FBADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 ZINC000826106387 600883339 /nfs/dbraw/zinc/88/33/39/600883339.db2.gz ZMJVAMHXNGUQKW-GFCCVEGCSA-N -1 0 363.370 -0.300 20 0 FBADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1 ZINC000826106388 600883633 /nfs/dbraw/zinc/88/36/33/600883633.db2.gz ZMJVAMHXNGUQKW-LBPRGKRZSA-N -1 0 363.370 -0.300 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCCOCCS(C)(=O)=O ZINC000826108516 603837761 /nfs/dbraw/zinc/83/77/61/603837761.db2.gz GMGQZQXGYLOLJM-NXEZZACHSA-N -1 0 352.409 -0.333 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCCOCCS(C)(=O)=O ZINC000826108517 603837913 /nfs/dbraw/zinc/83/79/13/603837913.db2.gz GMGQZQXGYLOLJM-UWVGGRQHSA-N -1 0 352.409 -0.333 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCCOCCS(C)(=O)=O ZINC000826108518 603837887 /nfs/dbraw/zinc/83/78/87/603837887.db2.gz GMGQZQXGYLOLJM-VHSXEESVSA-N -1 0 352.409 -0.333 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCCOCCS(C)(=O)=O ZINC000826108519 603837420 /nfs/dbraw/zinc/83/74/20/603837420.db2.gz GMGQZQXGYLOLJM-ZJUUUORDSA-N -1 0 352.409 -0.333 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000826109772 603774980 /nfs/dbraw/zinc/77/49/80/603774980.db2.gz MFPUBXANLWCGCV-BDAKNGLRSA-N -1 0 351.425 -0.066 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000826109773 603774945 /nfs/dbraw/zinc/77/49/45/603774945.db2.gz MFPUBXANLWCGCV-DTWKUNHWSA-N -1 0 351.425 -0.066 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000826109774 603775182 /nfs/dbraw/zinc/77/51/82/603775182.db2.gz MFPUBXANLWCGCV-IUCAKERBSA-N -1 0 351.425 -0.066 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000826109775 603774898 /nfs/dbraw/zinc/77/48/98/603774898.db2.gz MFPUBXANLWCGCV-RKDXNWHRSA-N -1 0 351.425 -0.066 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000826110032 603789444 /nfs/dbraw/zinc/78/94/44/603789444.db2.gz OHAGZKGGIBQJEU-AAEUAGOBSA-N -1 0 356.423 -0.230 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000826110033 603790088 /nfs/dbraw/zinc/79/00/88/603790088.db2.gz OHAGZKGGIBQJEU-DGCLKSJQSA-N -1 0 356.423 -0.230 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000826110034 603789961 /nfs/dbraw/zinc/78/99/61/603789961.db2.gz OHAGZKGGIBQJEU-WCQYABFASA-N -1 0 356.423 -0.230 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000826110035 603790343 /nfs/dbraw/zinc/79/03/43/603790343.db2.gz OHAGZKGGIBQJEU-YPMHNXCESA-N -1 0 356.423 -0.230 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000826110496 603870413 /nfs/dbraw/zinc/87/04/13/603870413.db2.gz RHWLMNBQTULGON-KUEQOTSFSA-N -1 0 368.390 -0.016 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000826110498 603870022 /nfs/dbraw/zinc/87/00/22/603870022.db2.gz RHWLMNBQTULGON-MLQVYSHPSA-N -1 0 368.390 -0.016 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000826110501 603869938 /nfs/dbraw/zinc/86/99/38/603869938.db2.gz RHWLMNBQTULGON-VTVITOLOSA-N -1 0 368.390 -0.016 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000826110504 603870161 /nfs/dbraw/zinc/87/01/61/603870161.db2.gz RHWLMNBQTULGON-ZESJGQACSA-N -1 0 368.390 -0.016 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000826110530 603693104 /nfs/dbraw/zinc/69/31/04/603693104.db2.gz RNLNKEVRQNWPHY-GHMZBOCLSA-N -1 0 363.436 -0.664 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000826110531 603693110 /nfs/dbraw/zinc/69/31/10/603693110.db2.gz RNLNKEVRQNWPHY-MNOVXSKESA-N -1 0 363.436 -0.664 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000826110532 603692965 /nfs/dbraw/zinc/69/29/65/603692965.db2.gz RNLNKEVRQNWPHY-QWRGUYRKSA-N -1 0 363.436 -0.664 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000826110533 603692756 /nfs/dbraw/zinc/69/27/56/603692756.db2.gz RNLNKEVRQNWPHY-WDEREUQCSA-N -1 0 363.436 -0.664 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCC(=O)NCCN1CCOCC1 ZINC000826110662 603783985 /nfs/dbraw/zinc/78/39/85/603783985.db2.gz SZURWUGCFHLVEA-AAEUAGOBSA-N -1 0 372.422 -0.946 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCC(=O)NCCN1CCOCC1 ZINC000826110663 603783919 /nfs/dbraw/zinc/78/39/19/603783919.db2.gz SZURWUGCFHLVEA-DGCLKSJQSA-N -1 0 372.422 -0.946 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCC(=O)NCCN1CCOCC1 ZINC000826110664 603784182 /nfs/dbraw/zinc/78/41/82/603784182.db2.gz SZURWUGCFHLVEA-WCQYABFASA-N -1 0 372.422 -0.946 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCC(=O)NCCN1CCOCC1 ZINC000826110665 603784116 /nfs/dbraw/zinc/78/41/16/603784116.db2.gz SZURWUGCFHLVEA-YPMHNXCESA-N -1 0 372.422 -0.946 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000826111034 603833174 /nfs/dbraw/zinc/83/31/74/603833174.db2.gz XYDKBRNUFMKLKK-NXEZZACHSA-N -1 0 364.420 -0.454 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000826111035 603833230 /nfs/dbraw/zinc/83/32/30/603833230.db2.gz XYDKBRNUFMKLKK-UWVGGRQHSA-N -1 0 364.420 -0.454 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000826111036 603833299 /nfs/dbraw/zinc/83/32/99/603833299.db2.gz XYDKBRNUFMKLKK-VHSXEESVSA-N -1 0 364.420 -0.454 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000826111037 603833214 /nfs/dbraw/zinc/83/32/14/603833214.db2.gz XYDKBRNUFMKLKK-ZJUUUORDSA-N -1 0 364.420 -0.454 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCCCN(C)S(C)(=O)=O ZINC000826111058 603657226 /nfs/dbraw/zinc/65/72/26/603657226.db2.gz YHQFTRAXTODIJB-NXEZZACHSA-N -1 0 351.425 -0.113 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCCCN(C)S(C)(=O)=O ZINC000826111059 603657316 /nfs/dbraw/zinc/65/73/16/603657316.db2.gz YHQFTRAXTODIJB-UWVGGRQHSA-N -1 0 351.425 -0.113 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCCCN(C)S(C)(=O)=O ZINC000826111060 603657417 /nfs/dbraw/zinc/65/74/17/603657417.db2.gz YHQFTRAXTODIJB-VHSXEESVSA-N -1 0 351.425 -0.113 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCCCN(C)S(C)(=O)=O ZINC000826111061 603658318 /nfs/dbraw/zinc/65/83/18/603658318.db2.gz YHQFTRAXTODIJB-ZJUUUORDSA-N -1 0 351.425 -0.113 20 0 FBADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C(=O)NCCCS(N)(=O)=O)cc1 ZINC000826113250 600897832 /nfs/dbraw/zinc/89/78/32/600897832.db2.gz GEDCJDLHKKZXSA-UHFFFAOYSA-N -1 0 371.415 -0.218 20 0 FBADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C(=O)NCCNS(C)(=O)=O)cc1 ZINC000826114586 600867988 /nfs/dbraw/zinc/86/79/88/600867988.db2.gz RZUYKGPCAIZMEN-UHFFFAOYSA-N -1 0 371.415 -0.347 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)N(C)CC(=O)N1CCOCC1 ZINC000826115592 604888313 /nfs/dbraw/zinc/88/83/13/604888313.db2.gz IQUKIRGTQGMIGI-NEPJUHHUSA-N -1 0 372.422 -0.010 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)N(C)CC(=O)N1CCOCC1 ZINC000826115593 604888112 /nfs/dbraw/zinc/88/81/12/604888112.db2.gz IQUKIRGTQGMIGI-NWDGAFQWSA-N -1 0 372.422 -0.010 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)N(C)CC(=O)N1CCOCC1 ZINC000826115594 604888058 /nfs/dbraw/zinc/88/80/58/604888058.db2.gz IQUKIRGTQGMIGI-RYUDHWBXSA-N -1 0 372.422 -0.010 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)N(C)CC(=O)N1CCOCC1 ZINC000826115595 604888319 /nfs/dbraw/zinc/88/83/19/604888319.db2.gz IQUKIRGTQGMIGI-VXGBXAGGSA-N -1 0 372.422 -0.010 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000826115600 603811003 /nfs/dbraw/zinc/81/10/03/603811003.db2.gz IRJHGLCEZJORIZ-BDAKNGLRSA-N -1 0 356.379 -0.064 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000826115601 603810761 /nfs/dbraw/zinc/81/07/61/603810761.db2.gz IRJHGLCEZJORIZ-DTWKUNHWSA-N -1 0 356.379 -0.064 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000826115602 603810790 /nfs/dbraw/zinc/81/07/90/603810790.db2.gz IRJHGLCEZJORIZ-IUCAKERBSA-N -1 0 356.379 -0.064 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000826115603 603810934 /nfs/dbraw/zinc/81/09/34/603810934.db2.gz IRJHGLCEZJORIZ-RKDXNWHRSA-N -1 0 356.379 -0.064 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNS(=O)(=O)CCCS(C)(=O)=O ZINC000826125347 603505396 /nfs/dbraw/zinc/50/53/96/603505396.db2.gz HEGIKADPPSXVDB-NXEZZACHSA-N -1 0 372.465 -0.156 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNS(=O)(=O)CCCS(C)(=O)=O ZINC000826125348 603505479 /nfs/dbraw/zinc/50/54/79/603505479.db2.gz HEGIKADPPSXVDB-UWVGGRQHSA-N -1 0 372.465 -0.156 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNS(=O)(=O)CCCS(C)(=O)=O ZINC000826125349 603505538 /nfs/dbraw/zinc/50/55/38/603505538.db2.gz HEGIKADPPSXVDB-VHSXEESVSA-N -1 0 372.465 -0.156 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNS(=O)(=O)CCCS(C)(=O)=O ZINC000826125350 603505211 /nfs/dbraw/zinc/50/52/11/603505211.db2.gz HEGIKADPPSXVDB-ZJUUUORDSA-N -1 0 372.465 -0.156 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)cn1C ZINC000826125955 604221306 /nfs/dbraw/zinc/22/13/06/604221306.db2.gz LEZAGBHVHMXSKR-GZMMTYOYSA-N -1 0 374.419 -0.094 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)c1cc(S(N)(=O)=O)cn1C ZINC000826125956 604221248 /nfs/dbraw/zinc/22/12/48/604221248.db2.gz LEZAGBHVHMXSKR-KCJUWKMLSA-N -1 0 374.419 -0.094 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)c1cc(S(N)(=O)=O)cn1C ZINC000826125957 604221226 /nfs/dbraw/zinc/22/12/26/604221226.db2.gz LEZAGBHVHMXSKR-KWQFWETISA-N -1 0 374.419 -0.094 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)cn1C ZINC000826125958 604221302 /nfs/dbraw/zinc/22/13/02/604221302.db2.gz LEZAGBHVHMXSKR-LDYMZIIASA-N -1 0 374.419 -0.094 20 0 FBADRM CC(C)(C(N)=O)N1CCN(CCCN2C(=O)CS/C2=C\C(=O)[O-])CC1 ZINC000826126506 601153734 /nfs/dbraw/zinc/15/37/34/601153734.db2.gz DVPBGAUGWBDMTG-RAXLEYEMSA-N -1 0 370.475 -0.241 20 0 FBADRM CC(C)(C(N)=O)N1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000826126778 601129223 /nfs/dbraw/zinc/12/92/23/601129223.db2.gz ITFBTEILHOQWFF-UHFFFAOYSA-N -1 0 355.416 -0.045 20 0 FBADRM CC(C)(C(N)=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000826126781 601129229 /nfs/dbraw/zinc/12/92/29/601129229.db2.gz IZQPCHDKLJMDEI-UHFFFAOYSA-N -1 0 355.416 -0.045 20 0 FBADRM CC(C)(C(N)=O)N1CCN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])CC1 ZINC000826127430 601214054 /nfs/dbraw/zinc/21/40/54/601214054.db2.gz UGROGHSJFRJPRZ-UHFFFAOYSA-N -1 0 370.431 -0.582 20 0 FBADRM CC(C)(C(N)=O)N1CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC000826127459 601225583 /nfs/dbraw/zinc/22/55/83/601225583.db2.gz VKDSNYNRHAXEQP-UHFFFAOYSA-N -1 0 369.443 -0.116 20 0 FBADRM CC(C)(C(N)=O)N1CCN(CC(=O)NC2(C(=O)[O-])CCCCC2)CC1 ZINC000826127590 601154304 /nfs/dbraw/zinc/15/43/04/601154304.db2.gz YYONZPIRYLIPPW-UHFFFAOYSA-N -1 0 354.451 -0.228 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNS(=O)(=O)CCS(C)(=O)=O ZINC000826127785 603507853 /nfs/dbraw/zinc/50/78/53/603507853.db2.gz XHCXKETXJJDRQJ-BDAKNGLRSA-N -1 0 358.438 -0.546 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNS(=O)(=O)CCS(C)(=O)=O ZINC000826127786 603508104 /nfs/dbraw/zinc/50/81/04/603508104.db2.gz XHCXKETXJJDRQJ-DTWKUNHWSA-N -1 0 358.438 -0.546 20 0 FBADRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNS(=O)(=O)CCS(C)(=O)=O ZINC000826127787 603508162 /nfs/dbraw/zinc/50/81/62/603508162.db2.gz XHCXKETXJJDRQJ-IUCAKERBSA-N -1 0 358.438 -0.546 20 0 FBADRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNS(=O)(=O)CCS(C)(=O)=O ZINC000826127788 603507998 /nfs/dbraw/zinc/50/79/98/603507998.db2.gz XHCXKETXJJDRQJ-RKDXNWHRSA-N -1 0 358.438 -0.546 20 0 FBADRM CC(C)(C)C(=O)Cn1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])nn1 ZINC000826130432 600887259 /nfs/dbraw/zinc/88/72/59/600887259.db2.gz KPIBPAGCWFASBW-JTQLQIEISA-N -1 0 351.363 -0.691 20 0 FBADRM CC(C)(C)C(=O)Cn1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])nn1 ZINC000826130438 600887166 /nfs/dbraw/zinc/88/71/66/600887166.db2.gz KPIBPAGCWFASBW-SNVBAGLBSA-N -1 0 351.363 -0.691 20 0 FBADRM CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000826130811 600703854 /nfs/dbraw/zinc/70/38/54/600703854.db2.gz RHMIQSDLOCAATP-UHFFFAOYSA-N -1 0 358.420 -0.153 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000826137623 661109023 /nfs/dbraw/zinc/10/90/23/661109023.db2.gz UCUDZXIADCESGY-CYBMUJFWSA-N -1 0 367.324 -0.813 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000826137635 661108897 /nfs/dbraw/zinc/10/88/97/661108897.db2.gz UCUDZXIADCESGY-ZDUSSCGKSA-N -1 0 367.324 -0.813 20 0 FBADRM COC(=O)CN(CCc1ccccc1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000826138127 609300759 /nfs/dbraw/zinc/30/07/59/609300759.db2.gz FSIOXPLTZFZTCQ-UHFFFAOYSA-N -1 0 370.373 -0.298 20 0 FBADRM COC[C@](C)(O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826148963 607636105 /nfs/dbraw/zinc/63/61/05/607636105.db2.gz VLHGZOOODKRZQC-GFCCVEGCSA-N -1 0 363.346 -0.179 20 0 FBADRM COC[C@@](C)(O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826148964 607635799 /nfs/dbraw/zinc/63/57/99/607635799.db2.gz VLHGZOOODKRZQC-LBPRGKRZSA-N -1 0 363.346 -0.179 20 0 FBADRM COC[C@@H](CCO)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826150170 608000614 /nfs/dbraw/zinc/00/06/14/608000614.db2.gz YCAILTXKHSQKNG-MRVPVSSYSA-N -1 0 363.346 -0.179 20 0 FBADRM COC[C@H](CCO)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826150171 608000824 /nfs/dbraw/zinc/00/08/24/608000824.db2.gz YCAILTXKHSQKNG-QMMMGPOBSA-N -1 0 363.346 -0.179 20 0 FBADRM COC[C@@H]([N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)OC ZINC000826150760 609333611 /nfs/dbraw/zinc/33/36/11/609333611.db2.gz LBQPEWSRZWJOSK-LLVKDONJSA-N -1 0 373.366 -0.387 20 0 FBADRM COC[C@H]([N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)OC ZINC000826150761 609333489 /nfs/dbraw/zinc/33/34/89/609333489.db2.gz LBQPEWSRZWJOSK-NSHDSACASA-N -1 0 373.366 -0.387 20 0 FBADRM COC[C@@H]([N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1)C(=O)OC ZINC000826151358 609333533 /nfs/dbraw/zinc/33/35/33/609333533.db2.gz ZQSXKNWXZPEOFL-LLVKDONJSA-N -1 0 355.376 -0.526 20 0 FBADRM COC[C@H]([N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1)C(=O)OC ZINC000826151359 609333479 /nfs/dbraw/zinc/33/34/79/609333479.db2.gz ZQSXKNWXZPEOFL-NSHDSACASA-N -1 0 355.376 -0.526 20 0 FBADRM COC[C@H](O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826152420 608238714 /nfs/dbraw/zinc/23/87/14/608238714.db2.gz YPLXZXDRIKFFNX-MRVPVSSYSA-N -1 0 363.346 -0.179 20 0 FBADRM COC[C@@H](O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826152421 608238995 /nfs/dbraw/zinc/23/89/95/608238995.db2.gz YPLXZXDRIKFFNX-QMMMGPOBSA-N -1 0 363.346 -0.179 20 0 FBADRM COCCCOCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000826156390 661109487 /nfs/dbraw/zinc/10/94/87/661109487.db2.gz AZQHWSIQXZOFKH-UHFFFAOYSA-N -1 0 369.403 -0.134 20 0 FBADRM COCCCOCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826156576 661109439 /nfs/dbraw/zinc/10/94/39/661109439.db2.gz KNNAKSYRBYIACR-UHFFFAOYSA-N -1 0 355.376 -0.275 20 0 FBADRM COCCCOCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826156791 661109321 /nfs/dbraw/zinc/10/93/21/661109321.db2.gz TYEORNSMRJRUPL-UHFFFAOYSA-N -1 0 369.403 -0.134 20 0 FBADRM COCCCOCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826156869 661109332 /nfs/dbraw/zinc/10/93/32/661109332.db2.gz XJCIFICXFMFNKC-UHFFFAOYSA-N -1 0 355.376 -0.275 20 0 FBADRM COCCCOCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[nH]n1 ZINC000826156905 661109254 /nfs/dbraw/zinc/10/92/54/661109254.db2.gz ZDIYEFXKXJBYDG-UHFFFAOYSA-N -1 0 369.403 -0.134 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000826157613 608010563 /nfs/dbraw/zinc/01/05/63/608010563.db2.gz DHBDEGLXRHZROE-UHFFFAOYSA-N -1 0 359.339 -0.273 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000826157640 608010599 /nfs/dbraw/zinc/01/05/99/608010599.db2.gz FJXWAJBJYDWUDT-UHFFFAOYSA-N -1 0 355.376 -0.271 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000826157664 607402415 /nfs/dbraw/zinc/40/24/15/607402415.db2.gz GEDLFHUQIRQNEU-UHFFFAOYSA-N -1 0 354.392 -0.272 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1cccc(C)c1-c1nn[nH]n1 ZINC000826157670 608010615 /nfs/dbraw/zinc/01/06/15/608010615.db2.gz GNCUGSIADCHEOM-UHFFFAOYSA-N -1 0 355.376 -0.103 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000826157816 608010672 /nfs/dbraw/zinc/01/06/72/608010672.db2.gz NBEPHAJZCZNTOY-UHFFFAOYSA-N -1 0 359.339 -0.273 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 ZINC000826157867 608010655 /nfs/dbraw/zinc/01/06/55/608010655.db2.gz PCQGEWYSUKBFKM-UHFFFAOYSA-N -1 0 359.339 -0.273 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000826157892 608010489 /nfs/dbraw/zinc/01/04/89/608010489.db2.gz QEBAJSHYHWRGLI-UHFFFAOYSA-N -1 0 355.376 -0.103 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000826157995 608010597 /nfs/dbraw/zinc/01/05/97/608010597.db2.gz VJMVLUVWSVOFHK-UHFFFAOYSA-N -1 0 355.376 -0.103 20 0 FBADRM COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000826158067 608010461 /nfs/dbraw/zinc/01/04/61/608010461.db2.gz YNRHWJFTEKXXMF-UHFFFAOYSA-N -1 0 359.339 -0.273 20 0 FBADRM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1[nH]c(O)nc1O ZINC000826158225 608116339 /nfs/dbraw/zinc/11/63/39/608116339.db2.gz GMKZATWHDWQWEZ-LBPRGKRZSA-N -1 0 373.373 -0.560 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000826160836 607402379 /nfs/dbraw/zinc/40/23/79/607402379.db2.gz IUWMAAMDTJAWRM-UHFFFAOYSA-N -1 0 369.403 -0.102 20 0 FBADRM COCCS(=O)(=O)[N-]c1nc(C)nn1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826162963 607693784 /nfs/dbraw/zinc/69/37/84/607693784.db2.gz AKDODIVMBQFPKJ-UHFFFAOYSA-N -1 0 364.391 -0.434 20 0 FBADRM COCCn1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)cn1 ZINC000826163917 607662831 /nfs/dbraw/zinc/66/28/31/607662831.db2.gz QRVNLBLWSIIRBL-UHFFFAOYSA-N -1 0 353.368 -0.756 20 0 FBADRM COCCn1cc(S(=O)(=O)[N-]c2ncc(-c3nn[nH]n3)s2)cn1 ZINC000826164036 607654685 /nfs/dbraw/zinc/65/46/85/607654685.db2.gz WMBORCZJACRQBD-UHFFFAOYSA-N -1 0 356.393 -0.033 20 0 FBADRM COCCn1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cn2)cn1 ZINC000826164060 607654670 /nfs/dbraw/zinc/65/46/70/607654670.db2.gz XJTVMDZGUYXRNC-UHFFFAOYSA-N -1 0 350.364 -0.095 20 0 FBADRM CON(C)C(=O)CN1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000826166552 608402533 /nfs/dbraw/zinc/40/25/33/608402533.db2.gz QISFXDIDLLLRCW-UHFFFAOYSA-N -1 0 362.394 -0.126 20 0 FBADRM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCc1[nH]c(O)nc1O ZINC000826171214 608346562 /nfs/dbraw/zinc/34/65/62/608346562.db2.gz HFPNFJFXSDIZSJ-JTQLQIEISA-N -1 0 360.330 -0.093 20 0 FBADRM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCc1[nH]c(O)nc1O ZINC000826171215 608347022 /nfs/dbraw/zinc/34/70/22/608347022.db2.gz HFPNFJFXSDIZSJ-SNVBAGLBSA-N -1 0 360.330 -0.093 20 0 FBADRM COc1cc(CN(C)c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)ccc1O ZINC000826179527 608076497 /nfs/dbraw/zinc/07/64/97/608076497.db2.gz RXFGJLIQPHBKCA-UHFFFAOYSA-N -1 0 373.373 -0.385 20 0 FBADRM COc1cc(NCCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc(OC)c1 ZINC000826180515 607758503 /nfs/dbraw/zinc/75/85/03/607758503.db2.gz KYNVXBYASULJDD-UHFFFAOYSA-N -1 0 373.377 -0.296 20 0 FBADRM COc1ccc([C@@H](CCO)NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1 ZINC000826188732 608078709 /nfs/dbraw/zinc/07/87/09/608078709.db2.gz DYZQHNVEGBVVLH-GFCCVEGCSA-N -1 0 358.362 -0.293 20 0 FBADRM COc1ccc([C@H](CCO)NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1 ZINC000826188733 608078534 /nfs/dbraw/zinc/07/85/34/608078534.db2.gz DYZQHNVEGBVVLH-LBPRGKRZSA-N -1 0 358.362 -0.293 20 0 FBADRM COc1ccc(C)cc1C(=O)Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC000826190346 608095496 /nfs/dbraw/zinc/09/54/96/608095496.db2.gz XXBLJGXEEKREDJ-UHFFFAOYSA-N -1 0 356.342 -0.073 20 0 FBADRM COc1ccc(CN(C)c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)cn1 ZINC000826192904 607676713 /nfs/dbraw/zinc/67/67/13/607676713.db2.gz HLLPJZHINSOSHE-UHFFFAOYSA-N -1 0 358.362 -0.696 20 0 FBADRM COc1ccc(CN(C)c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)cc1O ZINC000826193052 608016271 /nfs/dbraw/zinc/01/62/71/608016271.db2.gz NYHGIQODMQEZKT-UHFFFAOYSA-N -1 0 373.373 -0.385 20 0 FBADRM COc1ccc(CNC(=O)c2cnc([O-])n(C)c2=O)cc1-c1nn[nH]n1 ZINC000826200971 607629361 /nfs/dbraw/zinc/62/93/61/607629361.db2.gz RCZOMIKHHJSMKW-UHFFFAOYSA-N -1 0 357.330 -0.395 20 0 FBADRM COc1ccc(COC(=O)CCc2[nH]c(O)nc2O)cc1-c1nnn[n-]1 ZINC000826205146 607598555 /nfs/dbraw/zinc/59/85/55/607598555.db2.gz LZIRSQCPBIWBGZ-JTQLQIEISA-N -1 0 360.330 -0.093 20 0 FBADRM COc1ccc(COC(=O)CCc2[nH]c(O)nc2O)cc1-c1nnn[n-]1 ZINC000826205147 607598403 /nfs/dbraw/zinc/59/84/03/607598403.db2.gz LZIRSQCPBIWBGZ-SNVBAGLBSA-N -1 0 360.330 -0.093 20 0 FBADRM COc1ccc(COCCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1 ZINC000826206803 608592444 /nfs/dbraw/zinc/59/24/44/608592444.db2.gz LTOFWOJWKQKPGK-UHFFFAOYSA-N -1 0 358.362 -0.200 20 0 FBADRM COc1ccc(COCCn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)cc1 ZINC000826206823 608095582 /nfs/dbraw/zinc/09/55/82/608095582.db2.gz MRGLRKFGLUALPV-UHFFFAOYSA-N -1 0 358.358 -0.048 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[nH]n2)cc1C(N)=O ZINC000826211576 608307500 /nfs/dbraw/zinc/30/75/00/608307500.db2.gz LCRFYPWAIRUJDF-UHFFFAOYSA-N -1 0 364.347 -0.502 20 0 FBADRM COc1ccc2c(c1)OC[C@@H](NC(=O)Cn1cnc(-c3nnn[n-]3)n1)C2 ZINC000826213271 608476638 /nfs/dbraw/zinc/47/66/38/608476638.db2.gz REIKKEFQKOOFPE-JTQLQIEISA-N -1 0 356.346 -0.413 20 0 FBADRM COc1ccc2c(c1)OC[C@H](NC(=O)Cn1cnc(-c3nnn[n-]3)n1)C2 ZINC000826213272 608476869 /nfs/dbraw/zinc/47/68/69/608476869.db2.gz REIKKEFQKOOFPE-SNVBAGLBSA-N -1 0 356.346 -0.413 20 0 FBADRM COc1ccccc1CN(CCO)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000826219410 607995000 /nfs/dbraw/zinc/99/50/00/607995000.db2.gz BBPDGGUQVSSRGB-UHFFFAOYSA-N -1 0 358.362 -0.512 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)s1 ZINC000826223818 609444405 /nfs/dbraw/zinc/44/44/05/609444405.db2.gz BIIJLYNANVOLMD-UHFFFAOYSA-N -1 0 355.365 -0.330 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[nH]n2)cc1 ZINC000826223848 608307523 /nfs/dbraw/zinc/30/75/23/608307523.db2.gz CFNMKRTWCKEYKF-UHFFFAOYSA-N -1 0 369.388 -0.206 20 0 FBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1n[nH]cc1-c1nn[nH]n1 ZINC000826223926 608307409 /nfs/dbraw/zinc/30/74/09/608307409.db2.gz GOWTZGNQAQPYAV-UHFFFAOYSA-N -1 0 369.388 -0.206 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[nH]n2)c1 ZINC000826223954 608307506 /nfs/dbraw/zinc/30/75/06/608307506.db2.gz IQTHZYZDHFBMFT-UHFFFAOYSA-N -1 0 369.388 -0.206 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)s1 ZINC000826224219 607704065 /nfs/dbraw/zinc/70/40/65/607704065.db2.gz VCNRBQQZRAOBGG-UHFFFAOYSA-N -1 0 355.365 -0.330 20 0 FBADRM CSc1[nH]c(=O)c(C(=O)N2C[C@H](CO)OC[C@H]2C)cc1-c1nnn[n-]1 ZINC000826229397 608187389 /nfs/dbraw/zinc/18/73/89/608187389.db2.gz CNGPQIRJSLOPRE-HTQZYQBOSA-N -1 0 366.403 -0.089 20 0 FBADRM CSc1[nH]c(=O)c(C(=O)N2C[C@H](CO)OC[C@@H]2C)cc1-c1nnn[n-]1 ZINC000826229398 608187188 /nfs/dbraw/zinc/18/71/88/608187188.db2.gz CNGPQIRJSLOPRE-JGVFFNPUSA-N -1 0 366.403 -0.089 20 0 FBADRM CSc1[nH]c(=O)c(C(=O)N2C[C@@H](CO)OC[C@H]2C)cc1-c1nnn[n-]1 ZINC000826229399 608187284 /nfs/dbraw/zinc/18/72/84/608187284.db2.gz CNGPQIRJSLOPRE-SFYZADRCSA-N -1 0 366.403 -0.089 20 0 FBADRM CSc1[nH]c(=O)c(C(=O)N2C[C@@H](CO)OC[C@@H]2C)cc1-c1nnn[n-]1 ZINC000826229400 608187275 /nfs/dbraw/zinc/18/72/75/608187275.db2.gz CNGPQIRJSLOPRE-YUMQZZPRSA-N -1 0 366.403 -0.089 20 0 FBADRM CSc1[nH]c(=O)c(C(=O)NCC(=O)NCC2CC2)cc1-c1nnn[n-]1 ZINC000826229661 609403495 /nfs/dbraw/zinc/40/34/95/609403495.db2.gz MMLDSDTWRMAPHY-UHFFFAOYSA-N -1 0 363.403 -0.055 20 0 FBADRM CSc1cc(CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)ccn1 ZINC000826230297 608241738 /nfs/dbraw/zinc/24/17/38/608241738.db2.gz MUUWFFUXXUSQEV-UHFFFAOYSA-N -1 0 360.403 -0.007 20 0 FBADRM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N(C)[C@@H]1CCNC1=O ZINC000826232741 608011144 /nfs/dbraw/zinc/01/11/44/608011144.db2.gz GSUGZDLKPRCBSK-LLVKDONJSA-N -1 0 359.390 -0.136 20 0 FBADRM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N(C)[C@H]1CCNC1=O ZINC000826232742 608010979 /nfs/dbraw/zinc/01/09/79/608010979.db2.gz GSUGZDLKPRCBSK-NSHDSACASA-N -1 0 359.390 -0.136 20 0 FBADRM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1[C@@H]2CO[C@@H]3[C@H]1CO[C@H]23 ZINC000826232752 607963480 /nfs/dbraw/zinc/96/34/80/607963480.db2.gz HDLPYUHMNVFYLO-YIKOMLBNSA-N -1 0 372.385 -0.106 20 0 FBADRM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N(C)C[C@H](O)CO ZINC000826232821 608863652 /nfs/dbraw/zinc/86/36/52/608863652.db2.gz JYIZDPNXXWSPFB-JTQLQIEISA-N -1 0 350.379 -0.672 20 0 FBADRM Cc1cc(-c2nn[nH]n2)ccc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000826249673 607401166 /nfs/dbraw/zinc/40/11/66/607401166.db2.gz OCSWRCLUTNHGPC-UHFFFAOYSA-N -1 0 352.376 -0.518 20 0 FBADRM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000826255854 608011352 /nfs/dbraw/zinc/01/13/52/608011352.db2.gz MNQCRJYQQQIQLP-JTQLQIEISA-N -1 0 353.360 -0.351 20 0 FBADRM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000826255855 608011358 /nfs/dbraw/zinc/01/13/58/608011358.db2.gz MNQCRJYQQQIQLP-SNVBAGLBSA-N -1 0 353.360 -0.351 20 0 FBADRM Cc1cc(C(=O)NCc2nnn[n-]2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259847 609228302 /nfs/dbraw/zinc/22/83/02/609228302.db2.gz JJFKTCXVNAMPSW-UHFFFAOYSA-N -1 0 351.334 -0.196 20 0 FBADRM Cc1cc(C(=O)[N-]N2CC(=O)NC2=O)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259983 609141400 /nfs/dbraw/zinc/14/14/00/609141400.db2.gz POCSVAYMIFXTLD-UHFFFAOYSA-N -1 0 367.329 -0.443 20 0 FBADRM Cc1cc(C)nc(N2CCN(C(=O)Cn3cnc(-c4nnn[n-]4)n3)CC2)n1 ZINC000826265709 608188922 /nfs/dbraw/zinc/18/89/22/608188922.db2.gz JZTIZSAUAPADBZ-UHFFFAOYSA-N -1 0 369.393 -0.786 20 0 FBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000826279330 608011337 /nfs/dbraw/zinc/01/13/37/608011337.db2.gz NFHJDEUKKSFPIU-JTQLQIEISA-N -1 0 353.360 -0.351 20 0 FBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000826279331 608011382 /nfs/dbraw/zinc/01/13/82/608011382.db2.gz NFHJDEUKKSFPIU-SNVBAGLBSA-N -1 0 353.360 -0.351 20 0 FBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)Cc1ccn(C)n1 ZINC000826279346 661110045 /nfs/dbraw/zinc/11/00/45/661110045.db2.gz NVGRXFJHEURJER-UHFFFAOYSA-N -1 0 361.387 -0.044 20 0 FBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N1C ZINC000826279682 608142928 /nfs/dbraw/zinc/14/29/28/608142928.db2.gz XXHWGIFSFJEDSV-JTQLQIEISA-N -1 0 364.387 -0.399 20 0 FBADRM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O ZINC000826279749 609436260 /nfs/dbraw/zinc/43/62/60/609436260.db2.gz AOWSODDHJYAUHD-UHFFFAOYSA-N -1 0 351.348 -0.738 20 0 FBADRM Cc1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1S(C)(=O)=O ZINC000826291303 608002425 /nfs/dbraw/zinc/00/24/25/608002425.db2.gz YXOAFAFSJVLOGA-UHFFFAOYSA-N -1 0 362.375 -0.191 20 0 FBADRM Cc1cccc(CNC(=O)Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)c1 ZINC000826298533 608096425 /nfs/dbraw/zinc/09/64/25/608096425.db2.gz XHOJAWMFTVCZNF-UHFFFAOYSA-N -1 0 355.358 -0.648 20 0 FBADRM Cc1cccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1-c1nn[nH]n1 ZINC000826301847 608011483 /nfs/dbraw/zinc/01/14/83/608011483.db2.gz RKGFSPLNJBECGJ-SECBINFHSA-N -1 0 353.360 -0.351 20 0 FBADRM Cc1cccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1-c1nn[nH]n1 ZINC000826301848 608011504 /nfs/dbraw/zinc/01/15/04/608011504.db2.gz RKGFSPLNJBECGJ-VIFPVBQESA-N -1 0 353.360 -0.351 20 0 FBADRM Cc1cccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c1-c1nn[nH]n1 ZINC000826303733 607534553 /nfs/dbraw/zinc/53/45/53/607534553.db2.gz BZLNACOWZBOMDF-UHFFFAOYSA-N -1 0 362.375 -0.342 20 0 FBADRM Cc1cccn2cc(CNc3c(-c4nnn[n-]4)c(=O)n(C)c(=O)n3C)nc12 ZINC000826308032 608667611 /nfs/dbraw/zinc/66/76/11/608667611.db2.gz GNJFUYRJIGQEOJ-UHFFFAOYSA-N -1 0 367.373 -0.168 20 0 FBADRM Cc1ccsc1CNC(=O)Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC000826316412 608095768 /nfs/dbraw/zinc/09/57/68/608095768.db2.gz NKJBHKZHDBQCJR-UHFFFAOYSA-N -1 0 361.387 -0.587 20 0 FBADRM Cc1cnc(CCN(C)c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)s1 ZINC000826318507 607849399 /nfs/dbraw/zinc/84/93/99/607849399.db2.gz MDUSPDNLZAUKBL-UHFFFAOYSA-N -1 0 362.419 -0.292 20 0 FBADRM Cc1[nH]nc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1-c1nn[nH]n1 ZINC000826322525 661109872 /nfs/dbraw/zinc/10/98/72/661109872.db2.gz QMBWZVBZBXWEAP-UHFFFAOYSA-N -1 0 351.352 -0.864 20 0 FBADRM Cc1nc(CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)ccc1[C@@H](C)O ZINC000826326629 608667379 /nfs/dbraw/zinc/66/73/79/608667379.db2.gz XUVKKZUSSMFTGT-SECBINFHSA-N -1 0 372.389 -0.367 20 0 FBADRM Cc1nc(CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)ccc1[C@H](C)O ZINC000826326630 608667458 /nfs/dbraw/zinc/66/74/58/608667458.db2.gz XUVKKZUSSMFTGT-VIFPVBQESA-N -1 0 372.389 -0.367 20 0 FBADRM Cc1nc(N2CCN(C(=O)Cn3cnc(-c4nnn[n-]4)n3)CC2)sc1C ZINC000826327159 607823551 /nfs/dbraw/zinc/82/35/51/607823551.db2.gz VDXQWXDSWGROEC-UHFFFAOYSA-N -1 0 374.434 -0.120 20 0 FBADRM Cc1nccn1CCCN(C)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000826330679 607563856 /nfs/dbraw/zinc/56/38/56/607563856.db2.gz CYHUACMDMVPADD-UHFFFAOYSA-N -1 0 359.394 -0.704 20 0 FBADRM Cc1ncsc1-c1nc(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)no1 ZINC000826331524 608095789 /nfs/dbraw/zinc/09/57/89/608095789.db2.gz LYZRSVPRVDEIOX-UHFFFAOYSA-N -1 0 373.358 -0.410 20 0 FBADRM Cc1nn(C)c(C)c1CCCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000826333320 608413767 /nfs/dbraw/zinc/41/37/67/608413767.db2.gz CMTFDXHOSAOYFM-UHFFFAOYSA-N -1 0 373.421 -0.341 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826333716 607776606 /nfs/dbraw/zinc/77/66/06/607776606.db2.gz RUPXRKKYQFHGPU-UHFFFAOYSA-N -1 0 350.364 -0.336 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826333785 661110079 /nfs/dbraw/zinc/11/00/79/661110079.db2.gz VGMJGAJSLRJRQP-UHFFFAOYSA-N -1 0 350.364 -0.336 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3n[nH]cc3-c3nn[nH]n3)cc12 ZINC000826334530 607462070 /nfs/dbraw/zinc/46/20/70/607462070.db2.gz YTOOBKCPTRFLJJ-UHFFFAOYSA-N -1 0 360.363 -0.019 20 0 FBADRM Cc1nncn1-c1cccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000826338535 608207214 /nfs/dbraw/zinc/20/72/14/608207214.db2.gz ZCROQOOLYHISKQ-UHFFFAOYSA-N -1 0 351.334 -0.014 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]c3n[nH]cc3-c3nn[nH]n3)cc2oc1=O ZINC000826354636 608305652 /nfs/dbraw/zinc/30/56/52/608305652.db2.gz NYUUUNUZMHXJMK-UHFFFAOYSA-N -1 0 362.331 -0.165 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCc3cc(F)ccc3C2)n(C)c1=O ZINC000826355451 608560667 /nfs/dbraw/zinc/56/06/67/608560667.db2.gz AELXMRBMEMRJGB-UHFFFAOYSA-N -1 0 357.349 -0.034 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(Nc2cccc(CCCO)c2)n(C)c1=O ZINC000826355496 609387183 /nfs/dbraw/zinc/38/71/83/609387183.db2.gz CBPCCLPBNDFFCW-UHFFFAOYSA-N -1 0 357.374 -0.067 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCSCC(F)(F)F)n(C)c1=O ZINC000826355560 608799058 /nfs/dbraw/zinc/79/90/58/608799058.db2.gz FOYVTSSIMJNFFS-UHFFFAOYSA-N -1 0 365.341 -0.029 20 0 FBADRM Cn1c(Cn2c(=O)c(-c3nnn[n-]3)cn(C)c2=O)nnc1-c1ccccc1 ZINC000826355582 608095873 /nfs/dbraw/zinc/09/58/73/608095873.db2.gz GIZFSOXTZNVHBB-UHFFFAOYSA-N -1 0 365.357 -0.429 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCCN(CC(F)F)CC2)n(C)c1=O ZINC000826355654 608301880 /nfs/dbraw/zinc/30/18/80/608301880.db2.gz INLOYAILZWQXKU-UHFFFAOYSA-N -1 0 370.364 -0.959 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[C@@H](C3CCOCC3)C2)n(C)c1=O ZINC000826355675 607851351 /nfs/dbraw/zinc/85/13/51/607851351.db2.gz JASQQDNQMQISOD-LLVKDONJSA-N -1 0 361.406 -0.483 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[C@H](C3CCOCC3)C2)n(C)c1=O ZINC000826355676 607851454 /nfs/dbraw/zinc/85/14/54/607851454.db2.gz JASQQDNQMQISOD-NSHDSACASA-N -1 0 361.406 -0.483 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@@]2(O)CCc3ccccc32)n(C)c1=O ZINC000826355678 607739065 /nfs/dbraw/zinc/73/90/65/607739065.db2.gz JBRBJUDTXYPGQI-KRWDZBQOSA-N -1 0 369.385 -0.490 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@]2(O)CCc3ccccc32)n(C)c1=O ZINC000826355679 607739133 /nfs/dbraw/zinc/73/91/33/607739133.db2.gz JBRBJUDTXYPGQI-QGZVFWFLSA-N -1 0 369.385 -0.490 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)n(C)c1=O ZINC000826355681 607822085 /nfs/dbraw/zinc/82/20/85/607822085.db2.gz JEAQNHATJCZVJF-FBIMIBRVSA-N -1 0 359.390 -0.366 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n(C)c1=O ZINC000826355682 607821892 /nfs/dbraw/zinc/82/18/92/607821892.db2.gz JEAQNHATJCZVJF-GDPRMGEGSA-N -1 0 359.390 -0.366 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n(C)c1=O ZINC000826355683 607822055 /nfs/dbraw/zinc/82/20/55/607822055.db2.gz JEAQNHATJCZVJF-IEBDPFPHSA-N -1 0 359.390 -0.366 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)n(C)c1=O ZINC000826355684 607821877 /nfs/dbraw/zinc/82/18/77/607821877.db2.gz JEAQNHATJCZVJF-JMJZKYOTSA-N -1 0 359.390 -0.366 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N(CCCO)CC(C)(C)C)n(C)c1=O ZINC000826355692 607448891 /nfs/dbraw/zinc/44/88/91/607448891.db2.gz JKILWAYTFXREJN-UHFFFAOYSA-N -1 0 351.411 -0.501 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC[C@@H]([C@@H]3CCOC3)C2)n(C)c1=O ZINC000826355744 607681337 /nfs/dbraw/zinc/68/13/37/607681337.db2.gz LVAIYQAMFPLMHG-GHMZBOCLSA-N -1 0 361.406 -0.483 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC[C@@H]([C@H]3CCOC3)C2)n(C)c1=O ZINC000826355745 607682183 /nfs/dbraw/zinc/68/21/83/607682183.db2.gz LVAIYQAMFPLMHG-MNOVXSKESA-N -1 0 361.406 -0.483 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC[C@H]([C@H]3CCOC3)C2)n(C)c1=O ZINC000826355746 607682207 /nfs/dbraw/zinc/68/22/07/607682207.db2.gz LVAIYQAMFPLMHG-QWRGUYRKSA-N -1 0 361.406 -0.483 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC[C@H]([C@@H]3CCOC3)C2)n(C)c1=O ZINC000826355747 607681807 /nfs/dbraw/zinc/68/18/07/607681807.db2.gz LVAIYQAMFPLMHG-WDEREUQCSA-N -1 0 361.406 -0.483 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCc2cnc(C3CC3)nc2)n(C)c1=O ZINC000826355768 607904064 /nfs/dbraw/zinc/90/40/64/607904064.db2.gz MPVIQALKCPXECJ-UHFFFAOYSA-N -1 0 369.389 -0.414 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC[C@@H]2C2CCOCC2)n(C)c1=O ZINC000826355801 609169896 /nfs/dbraw/zinc/16/98/96/609169896.db2.gz NPAHYANOYYOSEJ-LLVKDONJSA-N -1 0 361.406 -0.341 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC[C@H]2C2CCOCC2)n(C)c1=O ZINC000826355802 609170000 /nfs/dbraw/zinc/17/00/00/609170000.db2.gz NPAHYANOYYOSEJ-NSHDSACASA-N -1 0 361.406 -0.341 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCc3cccc(F)c3C2)n(C)c1=O ZINC000826355827 608446215 /nfs/dbraw/zinc/44/62/15/608446215.db2.gz ONOAKGIEFZWZFU-UHFFFAOYSA-N -1 0 357.349 -0.034 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H]2CCN(c3ccccn3)C2)n(C)c1=O ZINC000826355891 607810535 /nfs/dbraw/zinc/81/05/35/607810535.db2.gz RHXAERHYDVVEQO-JTQLQIEISA-N -1 0 369.389 -0.650 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2CCN(c3ccccn3)C2)n(C)c1=O ZINC000826355892 607810721 /nfs/dbraw/zinc/81/07/21/607810721.db2.gz RHXAERHYDVVEQO-SNVBAGLBSA-N -1 0 369.389 -0.650 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCCOc2ncccc2F)n(C)c1=O ZINC000826355939 607563598 /nfs/dbraw/zinc/56/35/98/607563598.db2.gz UJVOIZXQJOCRNT-UHFFFAOYSA-N -1 0 362.325 -0.711 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@@H]2COC3(CCCC3)O2)n(C)c1=O ZINC000826355957 608294305 /nfs/dbraw/zinc/29/43/05/608294305.db2.gz UWVSPJCGJHRBOR-SECBINFHSA-N -1 0 363.378 -0.638 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@H]2COC3(CCCC3)O2)n(C)c1=O ZINC000826355958 608294326 /nfs/dbraw/zinc/29/43/26/608294326.db2.gz UWVSPJCGJHRBOR-VIFPVBQESA-N -1 0 363.378 -0.638 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC[C@@H](OC(F)F)C2)n(C)c1=O ZINC000826355974 609317275 /nfs/dbraw/zinc/31/72/75/609317275.db2.gz VNAZRBTXNAILKK-SSDOTTSWSA-N -1 0 357.321 -0.528 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC[C@H](OC(F)F)C2)n(C)c1=O ZINC000826355975 609317195 /nfs/dbraw/zinc/31/71/95/609317195.db2.gz VNAZRBTXNAILKK-ZETCQYMHSA-N -1 0 357.321 -0.528 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(Oc2ccc3nccnc3c2)n(C)c1=O ZINC000826355998 608017503 /nfs/dbraw/zinc/01/75/03/608017503.db2.gz WLBKVVAQUPKYBQ-UHFFFAOYSA-N -1 0 352.314 0.000 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@H]2CCCn3ccnc32)n(C)c1=O ZINC000826356027 607558669 /nfs/dbraw/zinc/55/86/69/607558669.db2.gz XPHSPYFSJVGCMA-SECBINFHSA-N -1 0 357.378 -0.550 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@@H]2CCCn3ccnc32)n(C)c1=O ZINC000826356028 607558511 /nfs/dbraw/zinc/55/85/11/607558511.db2.gz XPHSPYFSJVGCMA-VIFPVBQESA-N -1 0 357.378 -0.550 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC(Cc3ccccc3)C2)n(C)c1=O ZINC000826356037 609435751 /nfs/dbraw/zinc/43/57/51/609435751.db2.gz XXUPLGOZIWHDCG-UHFFFAOYSA-N -1 0 353.386 -0.057 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCc3c(F)cccc3C2)n(C)c1=O ZINC000826356075 607936971 /nfs/dbraw/zinc/93/69/71/607936971.db2.gz ZFGOHNYNNAKWJZ-UHFFFAOYSA-N -1 0 357.349 -0.034 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H]2CCO[C@]3(CCOC3)C2)n(C)c1=O ZINC000826356077 608198649 /nfs/dbraw/zinc/19/86/49/608198649.db2.gz ZFXQHHHLRNUTFT-BJOHPYRUSA-N -1 0 363.378 -0.986 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2CCO[C@@]3(CCOC3)C2)n(C)c1=O ZINC000826356078 608198466 /nfs/dbraw/zinc/19/84/66/608198466.db2.gz ZFXQHHHLRNUTFT-PSLIRLAXSA-N -1 0 363.378 -0.986 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2CCO[C@]3(CCOC3)C2)n(C)c1=O ZINC000826356079 608198184 /nfs/dbraw/zinc/19/81/84/608198184.db2.gz ZFXQHHHLRNUTFT-RFAUZJTJSA-N -1 0 363.378 -0.986 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H]2CCO[C@@]3(CCOC3)C2)n(C)c1=O ZINC000826356080 608198662 /nfs/dbraw/zinc/19/86/62/608198662.db2.gz ZFXQHHHLRNUTFT-VFZGTOFNSA-N -1 0 363.378 -0.986 20 0 FBADRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CC=C(C(F)(F)F)CC2)n(C)c1=O ZINC000826356092 607935632 /nfs/dbraw/zinc/93/56/32/607935632.db2.gz ZQPYZULPZVBUPP-UHFFFAOYSA-N -1 0 357.296 -0.037 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CC(=O)NCCC2CCCCC2)c1=O ZINC000826356157 608096557 /nfs/dbraw/zinc/09/65/57/608096557.db2.gz DBPQKYJJWUAMMR-UHFFFAOYSA-N -1 0 361.406 -0.186 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CC(=O)N(C2CC2)C2CCCC2)c1=O ZINC000826356175 608095840 /nfs/dbraw/zinc/09/58/40/608095840.db2.gz FECXUGPJYJZXSX-UHFFFAOYSA-N -1 0 359.390 -0.339 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CCCn2c3ccccc3[nH]c2=O)c1=O ZINC000826356341 608096611 /nfs/dbraw/zinc/09/66/11/608096611.db2.gz MBVMGDOSCOCBAA-UHFFFAOYSA-N -1 0 368.357 -0.127 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n([C@@H]2CCN(CC(F)(F)F)C2=O)c1=O ZINC000826356417 608095989 /nfs/dbraw/zinc/09/59/89/608095989.db2.gz PQOXPWGIOYXQDS-SSDOTTSWSA-N -1 0 359.268 -0.937 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n([C@H]2CCN(CC(F)(F)F)C2=O)c1=O ZINC000826356418 608095777 /nfs/dbraw/zinc/09/57/77/608095777.db2.gz PQOXPWGIOYXQDS-ZETCQYMHSA-N -1 0 359.268 -0.937 20 0 FBADRM Cn1c(SCc2cccc(C(N)=O)n2)c(-c2nnn[n-]2)c(=O)n(C)c1=O ZINC000826356441 609580364 /nfs/dbraw/zinc/58/03/64/609580364.db2.gz QPKYZVWJZPDDNY-UHFFFAOYSA-N -1 0 374.386 -0.950 20 0 FBADRM Cn1c(Sc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)nnc1C(F)F ZINC000826356461 661110387 /nfs/dbraw/zinc/11/03/87/661110387.db2.gz RXJHHBGLAODONA-UHFFFAOYSA-N -1 0 371.333 -0.519 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CC(=O)c2ccc3c(c2)COC3)c1=O ZINC000826356492 608096428 /nfs/dbraw/zinc/09/64/28/608096428.db2.gz SRLIMPDRWCZHIF-UHFFFAOYSA-N -1 0 354.326 -0.360 20 0 FBADRM Cn1cc(-c2nc(Cn3c(=O)c(-c4nnn[n-]4)cn(C)c3=O)cs2)cn1 ZINC000826356506 608095941 /nfs/dbraw/zinc/09/59/41/608095941.db2.gz UDIQMROVMDXWFS-UHFFFAOYSA-N -1 0 371.386 -0.368 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2nc(CC(F)(F)F)no2)c1=O ZINC000826356719 608095861 /nfs/dbraw/zinc/09/58/61/608095861.db2.gz CNMMJBGAZIIYMK-UHFFFAOYSA-N -1 0 358.240 -0.737 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2ncn(-c3ccccc3)n2)c1=O ZINC000826356776 608886622 /nfs/dbraw/zinc/88/66/22/608886622.db2.gz FKQPRDQLILBZQA-UHFFFAOYSA-N -1 0 351.330 -0.644 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2cnn(-c3ccccc3)n2)c1=O ZINC000826356817 608095834 /nfs/dbraw/zinc/09/58/34/608095834.db2.gz HDGRZGXDHHBNOO-UHFFFAOYSA-N -1 0 351.330 -0.644 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2nccn2CC(F)(F)F)c1=O ZINC000826356818 608096410 /nfs/dbraw/zinc/09/64/10/608096410.db2.gz HHMXDYHZPRLEJU-UHFFFAOYSA-N -1 0 356.268 -0.466 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2cn(-c3ccccc3)nn2)c1=O ZINC000826356868 608095986 /nfs/dbraw/zinc/09/59/86/608095986.db2.gz IWOSSUYMOQVNOQ-UHFFFAOYSA-N -1 0 351.330 -0.644 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2nc3ccccc3n(C)c2=O)c1=O ZINC000826356915 608095909 /nfs/dbraw/zinc/09/59/09/608095909.db2.gz KQSPBOMFJDPLIK-UHFFFAOYSA-N -1 0 366.341 -0.978 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2ccn(-c3ccccc3)n2)c1=O ZINC000826356987 608095876 /nfs/dbraw/zinc/09/58/76/608095876.db2.gz MXJWDPJBPBOQLF-UHFFFAOYSA-N -1 0 350.342 -0.039 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2nc(Cc3ccccc3)no2)c1=O ZINC000826357020 608096497 /nfs/dbraw/zinc/09/64/97/608096497.db2.gz OCJYJOQEUZUVQP-UHFFFAOYSA-N -1 0 366.341 -0.251 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2cnn(-c3ccccc3)c2)c1=O ZINC000826357091 608096554 /nfs/dbraw/zinc/09/65/54/608096554.db2.gz QOQNPEJMEGIHBX-UHFFFAOYSA-N -1 0 350.342 -0.039 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CCn2cnc3ccccc3c2=O)c1=O ZINC000826357124 608096332 /nfs/dbraw/zinc/09/63/32/608096332.db2.gz SFCCBXDYNAGTGH-UHFFFAOYSA-N -1 0 366.341 -0.863 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2noc(-c3ccsc3)n2)c1=O ZINC000826357125 608096635 /nfs/dbraw/zinc/09/66/35/608096635.db2.gz SGCAZXGJIRJFHX-UHFFFAOYSA-N -1 0 358.343 -0.113 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2noc(-c3cccs3)n2)c1=O ZINC000826357132 608096660 /nfs/dbraw/zinc/09/66/60/608096660.db2.gz SJAIZAKXUOCVDM-UHFFFAOYSA-N -1 0 358.343 -0.113 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2noc(Cc3ccccc3)n2)c1=O ZINC000826357147 608096107 /nfs/dbraw/zinc/09/61/07/608096107.db2.gz SYEGDTHOZCQRMN-UHFFFAOYSA-N -1 0 366.341 -0.251 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2cc(F)cc3c2OCOC3)c1=O ZINC000826357172 608096110 /nfs/dbraw/zinc/09/61/10/608096110.db2.gz UIGKCMBLVAXWOV-UHFFFAOYSA-N -1 0 360.305 -0.219 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(CCOCCOc2ccccc2)c1=O ZINC000826357245 608096130 /nfs/dbraw/zinc/09/61/30/608096130.db2.gz XLOMXSPBFMMOLD-UHFFFAOYSA-N -1 0 358.358 -0.177 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2nnc(-c3cccc(F)c3)o2)c1=O ZINC000826357281 608096104 /nfs/dbraw/zinc/09/61/04/608096104.db2.gz YPAIKXADKXOGEY-UHFFFAOYSA-N -1 0 370.304 -0.036 20 0 FBADRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2noc(-c3ccccc3)n2)c1=O ZINC000826357303 608096175 /nfs/dbraw/zinc/09/61/75/608096175.db2.gz ZUORFRVTPQEABK-UHFFFAOYSA-N -1 0 352.314 -0.175 20 0 FBADRM Cn1cc(C(=O)C[C@H]2CCCN2C(=O)Cn2cnc(-c3nnn[n-]3)n2)cn1 ZINC000826358033 608074730 /nfs/dbraw/zinc/07/47/30/608074730.db2.gz AZLNDBPEXHRMBU-LLVKDONJSA-N -1 0 370.377 -0.544 20 0 FBADRM Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)Cn2cnc(-c3nnn[n-]3)n2)cn1 ZINC000826358034 608074803 /nfs/dbraw/zinc/07/48/03/608074803.db2.gz AZLNDBPEXHRMBU-NSHDSACASA-N -1 0 370.377 -0.544 20 0 FBADRM Cn1cc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c(C(F)(F)F)n1 ZINC000826360876 607428766 /nfs/dbraw/zinc/42/87/66/607428766.db2.gz BNZPPWWOKJJTNA-UHFFFAOYSA-N -1 0 356.272 -0.473 20 0 FBADRM Cn1cc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)nn1 ZINC000826361794 661110344 /nfs/dbraw/zinc/11/03/44/661110344.db2.gz PBCGLNKVDYLSAL-UHFFFAOYSA-N -1 0 356.318 -0.248 20 0 FBADRM Cn1ccc(CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[nH]n2)n1 ZINC000826362831 661111099 /nfs/dbraw/zinc/11/10/99/661111099.db2.gz KIXLORHFFOTEAC-UHFFFAOYSA-N -1 0 361.387 -0.211 20 0 FBADRM Cn1ccc(CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826362841 661111090 /nfs/dbraw/zinc/11/10/90/661111090.db2.gz KZSXHDSXESUFNY-UHFFFAOYSA-N -1 0 361.387 -0.211 20 0 FBADRM Cn1ccc(CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC000826363026 661111139 /nfs/dbraw/zinc/11/11/39/661111139.db2.gz TUHQKMPUFPJWAF-UHFFFAOYSA-N -1 0 361.387 -0.211 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1Cl ZINC000826364665 661111176 /nfs/dbraw/zinc/11/11/76/661111176.db2.gz FTFVDPUJVNTARO-UHFFFAOYSA-N -1 0 356.755 -0.300 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[nH]n3)[nH]2)c1Cl ZINC000826364911 607777720 /nfs/dbraw/zinc/77/77/20/607777720.db2.gz QSOOOUKIHNQFJR-UHFFFAOYSA-N -1 0 356.755 -0.300 20 0 FBADRM Cn1cnc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)n1 ZINC000826364953 608564621 /nfs/dbraw/zinc/56/46/21/608564621.db2.gz UFEDBGQTUQIKHY-UHFFFAOYSA-N -1 0 356.318 -0.248 20 0 FBADRM Cn1cnn(CN2CCN(c3oc(C4CC4)nc3-c3nnn[n-]3)CC2)c1=O ZINC000826365102 607970907 /nfs/dbraw/zinc/97/09/07/607970907.db2.gz BNUCGHLZOFVKFW-UHFFFAOYSA-N -1 0 372.393 -0.593 20 0 FBADRM Cn1ncc(Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)c1C(F)F ZINC000826366812 607967609 /nfs/dbraw/zinc/96/76/09/607967609.db2.gz YVVDTEWERHPTCR-UHFFFAOYSA-N -1 0 353.293 -0.321 20 0 FBADRM Cn1nnnc1CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826367045 608248112 /nfs/dbraw/zinc/24/81/12/608248112.db2.gz JJECRQLEGAYKBX-UHFFFAOYSA-N -1 0 371.333 -0.811 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[nH]n2)c1 ZINC000826367207 608307455 /nfs/dbraw/zinc/30/74/55/608307455.db2.gz PNMPARPMSOVZNJ-UHFFFAOYSA-N -1 0 373.362 -0.419 20 0 FBADRM NC(=O)C1([N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCC1 ZINC000826389567 661111160 /nfs/dbraw/zinc/11/11/60/661111160.db2.gz AYNNASJEXGYDOH-UHFFFAOYSA-N -1 0 358.330 -0.169 20 0 FBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)o1 ZINC000826393140 607617371 /nfs/dbraw/zinc/61/73/71/607617371.db2.gz DAXWVTOHEYZOBX-UHFFFAOYSA-N -1 0 362.327 -0.323 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[nH]n3)c2)s1 ZINC000826393197 661111030 /nfs/dbraw/zinc/11/10/30/661111030.db2.gz HNZLHNQEWXNLEK-UHFFFAOYSA-N -1 0 367.372 -0.526 20 0 FBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000826393342 607617242 /nfs/dbraw/zinc/61/72/42/607617242.db2.gz NXHYPNGZLHHOLY-UHFFFAOYSA-N -1 0 362.327 -0.323 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[nH]n3)[nH]2)s1 ZINC000826393570 607778222 /nfs/dbraw/zinc/77/82/22/607778222.db2.gz YHYFFADEEOMUMC-UHFFFAOYSA-N -1 0 367.372 -0.526 20 0 FBADRM Nc1c(-c2nn[nH]n2)cnn1-c1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)cc1 ZINC000826394962 608443468 /nfs/dbraw/zinc/44/34/68/608443468.db2.gz GRQKEPJAPJLJLH-UHFFFAOYSA-N -1 0 368.317 -0.185 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[nH]n2)c1 ZINC000826395246 608307336 /nfs/dbraw/zinc/30/73/36/608307336.db2.gz TVQFCJJVWPBJJQ-UHFFFAOYSA-N -1 0 370.376 -0.962 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[nH]n2)cc1 ZINC000826395313 608307494 /nfs/dbraw/zinc/30/74/94/608307494.db2.gz WHHIDQAEYJGGAZ-UHFFFAOYSA-N -1 0 370.376 -0.962 20 0 FBADRM O=C([C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000826398479 609227452 /nfs/dbraw/zinc/22/74/52/609227452.db2.gz XVPWYVWYUATJCO-GHMZBOCLSA-N -1 0 357.334 -0.987 20 0 FBADRM O=C([C@@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000826398480 609227313 /nfs/dbraw/zinc/22/73/13/609227313.db2.gz XVPWYVWYUATJCO-MNOVXSKESA-N -1 0 357.334 -0.987 20 0 FBADRM O=C([C@@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000826398481 609227327 /nfs/dbraw/zinc/22/73/27/609227327.db2.gz XVPWYVWYUATJCO-QWRGUYRKSA-N -1 0 357.334 -0.987 20 0 FBADRM O=C([C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000826398482 609227382 /nfs/dbraw/zinc/22/73/82/609227382.db2.gz XVPWYVWYUATJCO-WDEREUQCSA-N -1 0 357.334 -0.987 20 0 FBADRM O=C([C@@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000826398583 609254196 /nfs/dbraw/zinc/25/41/96/609254196.db2.gz ZQKDOZMQSZYYDP-NEPJUHHUSA-N -1 0 355.362 -0.181 20 0 FBADRM O=C([C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000826398584 609254104 /nfs/dbraw/zinc/25/41/04/609254104.db2.gz ZQKDOZMQSZYYDP-NWDGAFQWSA-N -1 0 355.362 -0.181 20 0 FBADRM O=C([C@@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000826398585 609254099 /nfs/dbraw/zinc/25/40/99/609254099.db2.gz ZQKDOZMQSZYYDP-RYUDHWBXSA-N -1 0 355.362 -0.181 20 0 FBADRM O=C([C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000826398586 609254471 /nfs/dbraw/zinc/25/44/71/609254471.db2.gz ZQKDOZMQSZYYDP-VXGBXAGGSA-N -1 0 355.362 -0.181 20 0 FBADRM O=C(C[C@H]1COCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccco1 ZINC000826404664 607907447 /nfs/dbraw/zinc/90/74/47/607907447.db2.gz ICRAEQMAJUNQTQ-JTQLQIEISA-N -1 0 372.345 -0.448 20 0 FBADRM O=C(C[C@@H]1COCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccco1 ZINC000826404665 607907349 /nfs/dbraw/zinc/90/73/49/607907349.db2.gz ICRAEQMAJUNQTQ-SNVBAGLBSA-N -1 0 372.345 -0.448 20 0 FBADRM O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)NCC1(CO)CCOCC1 ZINC000826411592 607465054 /nfs/dbraw/zinc/46/50/54/607465054.db2.gz FKEVUOOHOBDLPC-UHFFFAOYSA-N -1 0 374.401 -0.498 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)NCC1CC1 ZINC000826412585 609334090 /nfs/dbraw/zinc/33/40/90/609334090.db2.gz UOLNYTQMVGEZFA-UHFFFAOYSA-N -1 0 372.357 -0.051 20 0 FBADRM O=C(CNc1ccc(-c2nn[nH]n2)cn1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000826413409 608554542 /nfs/dbraw/zinc/55/45/42/608554542.db2.gz DIUNIABMYVOMHK-JTQLQIEISA-N -1 0 355.366 -0.407 20 0 FBADRM O=C(CNc1ccc(-c2nn[nH]n2)cn1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000826413410 608554667 /nfs/dbraw/zinc/55/46/67/608554667.db2.gz DIUNIABMYVOMHK-SNVBAGLBSA-N -1 0 355.366 -0.407 20 0 FBADRM O=C(COc1ccc(-c2nn[nH]n2)cc1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000826417077 609162267 /nfs/dbraw/zinc/16/22/67/609162267.db2.gz CSKVYDKUJFYCFL-GFCCVEGCSA-N -1 0 367.387 -0.130 20 0 FBADRM O=C(COc1ccc(-c2nn[nH]n2)cc1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000826417078 609161959 /nfs/dbraw/zinc/16/19/59/609161959.db2.gz CSKVYDKUJFYCFL-LBPRGKRZSA-N -1 0 367.387 -0.130 20 0 FBADRM O=C(COc1ccc(-c2nn[nH]n2)cc1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000826417157 609366530 /nfs/dbraw/zinc/36/65/30/609366530.db2.gz GITJQUWFOMXGJW-GFCCVEGCSA-N -1 0 367.387 -0.130 20 0 FBADRM O=C(COc1ccc(-c2nn[nH]n2)cc1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000826417158 609366802 /nfs/dbraw/zinc/36/68/02/609366802.db2.gz GITJQUWFOMXGJW-LBPRGKRZSA-N -1 0 367.387 -0.130 20 0 FBADRM O=C(COc1ccc(-c2nn[nH]n2)cc1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000826417198 608076431 /nfs/dbraw/zinc/07/64/31/608076431.db2.gz HWOXKPLZHBLZAM-JTQLQIEISA-N -1 0 367.387 -0.272 20 0 FBADRM O=C(COc1ccc(-c2nn[nH]n2)cc1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000826417199 608076465 /nfs/dbraw/zinc/07/64/65/608076465.db2.gz HWOXKPLZHBLZAM-SNVBAGLBSA-N -1 0 367.387 -0.272 20 0 FBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000826418644 609366782 /nfs/dbraw/zinc/36/67/82/609366782.db2.gz PRJHMLYOQJQFSZ-GFCCVEGCSA-N -1 0 367.387 -0.130 20 0 FBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000826418645 609366339 /nfs/dbraw/zinc/36/63/39/609366339.db2.gz PRJHMLYOQJQFSZ-LBPRGKRZSA-N -1 0 367.387 -0.130 20 0 FBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000826418648 609162157 /nfs/dbraw/zinc/16/21/57/609162157.db2.gz PSMLYEFBJWFGFJ-GFCCVEGCSA-N -1 0 367.387 -0.130 20 0 FBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000826418649 609162040 /nfs/dbraw/zinc/16/20/40/609162040.db2.gz PSMLYEFBJWFGFJ-LBPRGKRZSA-N -1 0 367.387 -0.130 20 0 FBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000826418674 608076445 /nfs/dbraw/zinc/07/64/45/608076445.db2.gz QVKOKUDLSJYBLO-JTQLQIEISA-N -1 0 367.387 -0.272 20 0 FBADRM O=C(COc1cccc(-c2nn[nH]n2)c1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000826418675 608076439 /nfs/dbraw/zinc/07/64/39/608076439.db2.gz QVKOKUDLSJYBLO-SNVBAGLBSA-N -1 0 367.387 -0.272 20 0 FBADRM O=C(COc1ccccc1-c1nn[nH]n1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000826419150 609161846 /nfs/dbraw/zinc/16/18/46/609161846.db2.gz LPKMOYMCXFXJEC-JTQLQIEISA-N -1 0 367.387 -0.130 20 0 FBADRM O=C(COc1ccccc1-c1nn[nH]n1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000826419151 609162139 /nfs/dbraw/zinc/16/21/39/609162139.db2.gz LPKMOYMCXFXJEC-SNVBAGLBSA-N -1 0 367.387 -0.130 20 0 FBADRM O=C(COc1ccccc1-c1nn[nH]n1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000826419251 608076462 /nfs/dbraw/zinc/07/64/62/608076462.db2.gz PPDVNYHTCNAFTO-JTQLQIEISA-N -1 0 367.387 -0.272 20 0 FBADRM O=C(COc1ccccc1-c1nn[nH]n1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000826419252 608076428 /nfs/dbraw/zinc/07/64/28/608076428.db2.gz PPDVNYHTCNAFTO-SNVBAGLBSA-N -1 0 367.387 -0.272 20 0 FBADRM O=C(COc1ccccc1-c1nn[nH]n1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000826419347 609366910 /nfs/dbraw/zinc/36/69/10/609366910.db2.gz SYIRBZXBKKCESB-JTQLQIEISA-N -1 0 367.387 -0.130 20 0 FBADRM O=C(COc1ccccc1-c1nn[nH]n1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000826419348 609366625 /nfs/dbraw/zinc/36/66/25/609366625.db2.gz SYIRBZXBKKCESB-SNVBAGLBSA-N -1 0 367.387 -0.130 20 0 FBADRM O=C(Cc1ccc(-c2nn[nH]n2)cc1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000826422274 608076650 /nfs/dbraw/zinc/07/66/50/608076650.db2.gz SKNXDWHRIASARQ-LLVKDONJSA-N -1 0 351.388 -0.108 20 0 FBADRM O=C(Cc1ccc(-c2nn[nH]n2)cc1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000826422275 608076571 /nfs/dbraw/zinc/07/65/71/608076571.db2.gz SKNXDWHRIASARQ-NSHDSACASA-N -1 0 351.388 -0.108 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826423938 607949076 /nfs/dbraw/zinc/94/90/76/607949076.db2.gz OEJWQCMWLIYOAX-UHFFFAOYSA-N -1 0 363.341 -0.159 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCN(c2ccc(F)cn2)CC1 ZINC000826424740 608593040 /nfs/dbraw/zinc/59/30/40/608593040.db2.gz APUFTJUEUCXUND-UHFFFAOYSA-N -1 0 358.341 -0.659 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCN(c2ncccc2F)CC1 ZINC000826424772 608073705 /nfs/dbraw/zinc/07/37/05/608073705.db2.gz BZLYRPOIJKHIPT-UHFFFAOYSA-N -1 0 358.341 -0.659 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000826424866 609264875 /nfs/dbraw/zinc/26/48/75/609264875.db2.gz HALFYIQWYSSRSQ-HNNXBMFYSA-N -1 0 358.337 -0.283 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000826424867 609264462 /nfs/dbraw/zinc/26/44/62/609264462.db2.gz HALFYIQWYSSRSQ-OAHLLOKOSA-N -1 0 358.337 -0.283 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CC(=O)N(Cc2ccccc2)C1 ZINC000826424979 608171715 /nfs/dbraw/zinc/17/17/15/608171715.db2.gz LFCCIFGZOOFSCR-UHFFFAOYSA-N -1 0 353.346 -0.713 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000826425012 608250653 /nfs/dbraw/zinc/25/06/53/608250653.db2.gz MINBWCKVIIHJNL-JTQLQIEISA-N -1 0 369.393 -0.140 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000826425013 608250878 /nfs/dbraw/zinc/25/08/78/608250878.db2.gz MINBWCKVIIHJNL-SNVBAGLBSA-N -1 0 369.393 -0.140 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H](CO)c1c(F)cccc1F ZINC000826425266 661110850 /nfs/dbraw/zinc/11/08/50/661110850.db2.gz WLGNFHADHHYCEO-SECBINFHSA-N -1 0 350.289 -0.414 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H](CO)c1c(F)cccc1F ZINC000826425267 661111115 /nfs/dbraw/zinc/11/11/15/661111115.db2.gz WLGNFHADHHYCEO-VIFPVBQESA-N -1 0 350.289 -0.414 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000826425424 608102022 /nfs/dbraw/zinc/10/20/22/608102022.db2.gz CTVQFWDFIGNUGJ-KHQFGBGNSA-N -1 0 352.449 -0.046 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000826425425 608102112 /nfs/dbraw/zinc/10/21/12/608102112.db2.gz CTVQFWDFIGNUGJ-MRTMQBJTSA-N -1 0 352.449 -0.046 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000826425426 608102036 /nfs/dbraw/zinc/10/20/36/608102036.db2.gz CTVQFWDFIGNUGJ-NQMVMOMDSA-N -1 0 352.449 -0.046 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000826425427 608102074 /nfs/dbraw/zinc/10/20/74/608102074.db2.gz CTVQFWDFIGNUGJ-WEDXCCLWSA-N -1 0 352.449 -0.046 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cccc(CN2CCOCC2)n1 ZINC000826425475 608477207 /nfs/dbraw/zinc/47/72/07/608477207.db2.gz FUUXEWRSUBVUAB-UHFFFAOYSA-N -1 0 370.377 -0.676 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1c[nH]cc(Br)c1=O ZINC000826425668 608040799 /nfs/dbraw/zinc/04/07/99/608040799.db2.gz NRFWGTLCIJRMBN-UHFFFAOYSA-N -1 0 366.139 -0.452 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCNC(=O)NC1CCCCC1 ZINC000826425857 608107161 /nfs/dbraw/zinc/10/71/61/608107161.db2.gz WTUGGCCOQROBLL-UHFFFAOYSA-N -1 0 362.398 -0.794 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccn(-c2ncccc2F)n1 ZINC000826425901 608009742 /nfs/dbraw/zinc/00/97/42/608009742.db2.gz ZELUMXGKAUNHFF-UHFFFAOYSA-N -1 0 355.297 -0.183 20 0 FBADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1cccnc1OCC(F)F ZINC000826425903 608180476 /nfs/dbraw/zinc/18/04/76/608180476.db2.gz ZHFUFNLTFIJDAL-UHFFFAOYSA-N -1 0 365.304 -0.187 20 0 FBADRM O=C(NC1(c2nnn[n-]2)CCCC1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826428587 609233353 /nfs/dbraw/zinc/23/33/53/609233353.db2.gz GFMPRXCQMKDISF-LLVKDONJSA-N -1 0 355.362 -0.001 20 0 FBADRM O=C(NC1(c2nnn[n-]2)CCCC1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826428588 609233298 /nfs/dbraw/zinc/23/32/98/609233298.db2.gz GFMPRXCQMKDISF-NSHDSACASA-N -1 0 355.362 -0.001 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)CCO1 ZINC000826461110 608011519 /nfs/dbraw/zinc/01/15/19/608011519.db2.gz GMGPDBJHYURXQF-MRVPVSSYSA-N -1 0 357.323 -0.520 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)CCO1 ZINC000826461111 608011450 /nfs/dbraw/zinc/01/14/50/608011450.db2.gz GMGPDBJHYURXQF-QMMMGPOBSA-N -1 0 357.323 -0.520 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2-c2nn[nH]n2)CCO1 ZINC000826461112 608011273 /nfs/dbraw/zinc/01/12/73/608011273.db2.gz GOEZZSAOBXCGPH-SECBINFHSA-N -1 0 373.778 -0.006 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2-c2nn[nH]n2)CCO1 ZINC000826461113 608011430 /nfs/dbraw/zinc/01/14/30/608011430.db2.gz GOEZZSAOBXCGPH-VIFPVBQESA-N -1 0 373.778 -0.006 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)CCO1 ZINC000826461148 608011486 /nfs/dbraw/zinc/01/14/86/608011486.db2.gz HXSBKAPRUAKOJM-SECBINFHSA-N -1 0 373.778 -0.006 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)CCO1 ZINC000826461149 608011427 /nfs/dbraw/zinc/01/14/27/608011427.db2.gz HXSBKAPRUAKOJM-VIFPVBQESA-N -1 0 373.778 -0.006 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000826461264 608011291 /nfs/dbraw/zinc/01/12/91/608011291.db2.gz MZPCTNMWCFJOBN-LLVKDONJSA-N -1 0 353.360 -0.518 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000826461265 608011462 /nfs/dbraw/zinc/01/14/62/608011462.db2.gz MZPCTNMWCFJOBN-NSHDSACASA-N -1 0 353.360 -0.518 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)CCO1 ZINC000826461305 608011453 /nfs/dbraw/zinc/01/14/53/608011453.db2.gz OWGQZVZFOOKCQW-MRVPVSSYSA-N -1 0 373.778 -0.006 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)CCO1 ZINC000826461306 608011319 /nfs/dbraw/zinc/01/13/19/608011319.db2.gz OWGQZVZFOOKCQW-QMMMGPOBSA-N -1 0 373.778 -0.006 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)CCO1 ZINC000826461358 608011444 /nfs/dbraw/zinc/01/14/44/608011444.db2.gz RAPMRIOBYVINJR-JTQLQIEISA-N -1 0 357.323 -0.520 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)CCO1 ZINC000826461359 608011258 /nfs/dbraw/zinc/01/12/58/608011258.db2.gz RAPMRIOBYVINJR-SNVBAGLBSA-N -1 0 357.323 -0.520 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)CCO1 ZINC000826461384 608011261 /nfs/dbraw/zinc/01/12/61/608011261.db2.gz RQYBXPZLCZMJKF-SECBINFHSA-N -1 0 357.323 -0.520 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)CCO1 ZINC000826461385 608011489 /nfs/dbraw/zinc/01/14/89/608011489.db2.gz RQYBXPZLCZMJKF-VIFPVBQESA-N -1 0 357.323 -0.520 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)CCO1 ZINC000826461394 608011474 /nfs/dbraw/zinc/01/14/74/608011474.db2.gz SITAYIKKRPHJJB-JTQLQIEISA-N -1 0 373.778 -0.006 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)CCO1 ZINC000826461395 608011285 /nfs/dbraw/zinc/01/12/85/608011285.db2.gz SITAYIKKRPHJJB-SNVBAGLBSA-N -1 0 373.778 -0.006 20 0 FBADRM O=C([O-])CNS(=O)(=O)c1cc(Br)cc(-c2nn[nH]n2)c1 ZINC000826461490 608010722 /nfs/dbraw/zinc/01/07/22/608010722.db2.gz XBPSENVSLRLDSF-UHFFFAOYSA-N -1 0 362.165 -0.008 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)CCO1 ZINC000826461512 608011400 /nfs/dbraw/zinc/01/14/00/608011400.db2.gz XWOCAYUJOFNCQT-SECBINFHSA-N -1 0 357.323 -0.520 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)CCO1 ZINC000826461513 608011255 /nfs/dbraw/zinc/01/12/55/608011255.db2.gz XWOCAYUJOFNCQT-VIFPVBQESA-N -1 0 357.323 -0.520 20 0 FBADRM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cc(=O)[nH][n-]1 ZINC000826477439 609179628 /nfs/dbraw/zinc/17/96/28/609179628.db2.gz DEKRQJADAMDXLJ-LLVKDONJSA-N -1 0 368.357 -0.646 20 0 FBADRM O=C(N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cc(=O)[nH][n-]1 ZINC000826477440 609179585 /nfs/dbraw/zinc/17/95/85/609179585.db2.gz DEKRQJADAMDXLJ-NSHDSACASA-N -1 0 368.357 -0.646 20 0 FBADRM O=C(NC1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1)c1cc(=O)[nH][n-]1 ZINC000826478099 608606508 /nfs/dbraw/zinc/60/65/08/608606508.db2.gz UJOXSDMPQWBPBR-UHFFFAOYSA-N -1 0 370.373 -0.056 20 0 FBADRM O=C(NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1)c1cc(=O)[nH][n-]1 ZINC000826479438 608192651 /nfs/dbraw/zinc/19/26/51/608192651.db2.gz YOQAJAIUTDEFLW-UHFFFAOYSA-N -1 0 351.330 -0.251 20 0 FBADRM O=C1COc2ccc(S(=O)(=O)[N-]c3n[nH]cc3-c3nn[nH]n3)cc2N1 ZINC000826481718 608307074 /nfs/dbraw/zinc/30/70/74/608307074.db2.gz GLNKJJQJCFYIPZ-UHFFFAOYSA-N -1 0 362.331 -0.279 20 0 FBADRM O=C1NC[C@@H](CN2CCN(c3oc(C4CC4)nc3-c3nnn[n-]3)CC2)O1 ZINC000826482609 607858511 /nfs/dbraw/zinc/85/85/11/607858511.db2.gz KUKGUYZPUOGUAE-JTQLQIEISA-N -1 0 360.378 -0.038 20 0 FBADRM O=C1NC[C@H](CN2CCN(c3oc(C4CC4)nc3-c3nnn[n-]3)CC2)O1 ZINC000826482610 607858444 /nfs/dbraw/zinc/85/84/44/607858444.db2.gz KUKGUYZPUOGUAE-SNVBAGLBSA-N -1 0 360.378 -0.038 20 0 FBADRM O=C1NCCc2ccc(S(=O)(=O)[N-]c3n[nH]cc3-c3nn[nH]n3)cc21 ZINC000826482753 608307041 /nfs/dbraw/zinc/30/70/41/608307041.db2.gz PFVXXCXRFDRIFP-UHFFFAOYSA-N -1 0 360.359 -0.324 20 0 FBADRM O=S(=O)([N-]CC1(CO)COC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826490382 607678655 /nfs/dbraw/zinc/67/86/55/607678655.db2.gz TWWSNDKWCDNUOB-UHFFFAOYSA-N -1 0 361.330 -0.568 20 0 FBADRM O=S(=O)([N-]C[C@]1(O)CCOC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826490560 607853853 /nfs/dbraw/zinc/85/38/53/607853853.db2.gz ZDJVDNZROPBMAP-GFCCVEGCSA-N -1 0 361.330 -0.425 20 0 FBADRM O=S(=O)([N-]C[C@@]1(O)CCOC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826490561 607853972 /nfs/dbraw/zinc/85/39/72/607853972.db2.gz ZDJVDNZROPBMAP-LBPRGKRZSA-N -1 0 361.330 -0.425 20 0 FBADRM O=S(=O)([N-]CCCOCCO)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826490729 609223313 /nfs/dbraw/zinc/22/33/13/609223313.db2.gz FVQVYUICMRCWPL-UHFFFAOYSA-N -1 0 363.346 -0.178 20 0 FBADRM O=S(=O)([N-]CCn1ccnn1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826491328 661111594 /nfs/dbraw/zinc/11/15/94/661111594.db2.gz DEOBWAFKYUHORN-UHFFFAOYSA-N -1 0 356.318 -0.285 20 0 FBADRM O=S(=O)([N-]c1n[nH]cc1-c1nn[nH]n1)c1cnn([C@@H]2CCOC2)c1 ZINC000826492293 608306028 /nfs/dbraw/zinc/30/60/28/608306028.db2.gz BESCIYDNOUSHPC-SSDOTTSWSA-N -1 0 351.352 -0.452 20 0 FBADRM O=S(=O)([N-]c1n[nH]cc1-c1nn[nH]n1)c1cnn([C@H]2CCOC2)c1 ZINC000826492294 608305858 /nfs/dbraw/zinc/30/58/58/608305858.db2.gz BESCIYDNOUSHPC-ZETCQYMHSA-N -1 0 351.352 -0.452 20 0 FBADRM O=S(=O)([N-]c1n[nH]cc1-c1nn[nH]n1)c1cnn(C2CCOCC2)c1 ZINC000826492306 608307347 /nfs/dbraw/zinc/30/73/47/608307347.db2.gz BZYFADZYIMFADW-UHFFFAOYSA-N -1 0 365.379 -0.061 20 0 FBADRM O=S(=O)([N-]c1n[nH]cc1-c1nn[nH]n1)c1ccc(-n2cnnn2)cc1 ZINC000826492608 608305964 /nfs/dbraw/zinc/30/59/64/608305964.db2.gz UBQQBMUSVXCNFX-UHFFFAOYSA-N -1 0 359.335 -0.634 20 0 FBADRM O=S(=O)([N-]c1n[nH]cc1-c1nn[nH]n1)c1cccc(-n2cnnn2)c1 ZINC000826492679 608306266 /nfs/dbraw/zinc/30/62/66/608306266.db2.gz XQINXQQWXMHHSE-UHFFFAOYSA-N -1 0 359.335 -0.634 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000826543462 661112302 /nfs/dbraw/zinc/11/23/02/661112302.db2.gz CQYNFINOLLJXCS-OLZOCXBDSA-N -1 0 362.448 -0.002 20 0 FBADRM CCC(CC)(CNC(=O)[O-])NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000826544691 604323052 /nfs/dbraw/zinc/32/30/52/604323052.db2.gz PQWHRDQPQWGIGD-UHFFFAOYSA-N -1 0 364.468 -0.494 20 0 FBADRM CCC(CC)(CNC(=O)[O-])NC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000826545087 603532272 /nfs/dbraw/zinc/53/22/72/603532272.db2.gz ZZYCZXJZYCRZTH-UHFFFAOYSA-N -1 0 361.424 -0.359 20 0 FBADRM CC(C)(CCS(C)(=O)=O)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000826547101 600792090 /nfs/dbraw/zinc/79/20/90/600792090.db2.gz UYASNLJNZFXPQU-UHFFFAOYSA-N -1 0 356.466 -0.169 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F)C(=O)[O-] ZINC000826550330 601765441 /nfs/dbraw/zinc/76/54/41/601765441.db2.gz DZVLTWLLTRKHCI-UHFFFAOYSA-N -1 0 350.310 -0.033 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)C(=O)[O-] ZINC000826550670 601767108 /nfs/dbraw/zinc/76/71/08/601767108.db2.gz JFVRKPATUZBHHL-UHFFFAOYSA-N -1 0 362.386 -0.212 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)C(=O)[O-] ZINC000826551077 601763912 /nfs/dbraw/zinc/76/39/12/601763912.db2.gz NZEOEPAJIWNPSR-UHFFFAOYSA-N -1 0 371.415 -0.099 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)[O-] ZINC000826551149 601765537 /nfs/dbraw/zinc/76/55/37/601765537.db2.gz ORHWKMSSHYXJIU-UHFFFAOYSA-N -1 0 363.374 -0.817 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1)NS(C)(=O)=O ZINC000826551336 604536341 /nfs/dbraw/zinc/53/63/41/604536341.db2.gz RBTIPKMPPULUQE-UHFFFAOYSA-N -1 0 363.417 -0.171 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000826551616 601766388 /nfs/dbraw/zinc/76/63/88/601766388.db2.gz WXSUOVHYEGYXGZ-UHFFFAOYSA-N -1 0 361.351 -0.361 20 0 FBADRM CC(C)(CCS(C)(=O)=O)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000826551695 600792029 /nfs/dbraw/zinc/79/20/29/600792029.db2.gz YREYXJJBJGRFAX-UHFFFAOYSA-N -1 0 353.422 -0.541 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1sccc1C(=O)[O-])NS(C)(=O)=O ZINC000826554475 600890378 /nfs/dbraw/zinc/89/03/78/600890378.db2.gz SPWKQGBVOQFELB-UHFFFAOYSA-N -1 0 363.417 -0.171 20 0 FBADRM CC(C)(CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000826554664 601710436 /nfs/dbraw/zinc/71/04/36/601710436.db2.gz WTAVTUOVKMCZOF-SECBINFHSA-N -1 0 359.404 -0.621 20 0 FBADRM CC(C)(CNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000826554665 601710570 /nfs/dbraw/zinc/71/05/70/601710570.db2.gz WTAVTUOVKMCZOF-VIFPVBQESA-N -1 0 359.404 -0.621 20 0 FBADRM CC(C)(CNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000826559070 601710407 /nfs/dbraw/zinc/71/04/07/601710407.db2.gz KPPADCGKLNQKJS-CYBMUJFWSA-N -1 0 355.435 -0.073 20 0 FBADRM CC(C)(CNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000826559071 601710446 /nfs/dbraw/zinc/71/04/46/601710446.db2.gz KPPADCGKLNQKJS-ZDUSSCGKSA-N -1 0 355.435 -0.073 20 0 FBADRM O=C([O-])[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1CCOCC1 ZINC000826559936 661112593 /nfs/dbraw/zinc/11/25/93/661112593.db2.gz KZEZPTJAIZKBIG-CYBMUJFWSA-N -1 0 369.399 -0.520 20 0 FBADRM O=C([O-])[C@@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1CCOCC1 ZINC000826559938 661112646 /nfs/dbraw/zinc/11/26/46/661112646.db2.gz KZEZPTJAIZKBIG-ZDUSSCGKSA-N -1 0 369.399 -0.520 20 0 FBADRM CC(C)(CNC(=O)CN(CC(=O)[O-])C1CCOCC1)N1CCOCC1 ZINC000826561560 600854079 /nfs/dbraw/zinc/85/40/79/600854079.db2.gz AGOHEADFJXISFL-UHFFFAOYSA-N -1 0 357.451 -0.221 20 0 FBADRM CC(C)(CNC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)C(=O)[O-] ZINC000826567905 601705921 /nfs/dbraw/zinc/70/59/21/601705921.db2.gz NFVXXUNUIZOMBD-UHFFFAOYSA-N -1 0 371.371 -0.531 20 0 FBADRM CC(C)(CNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000826567992 601686407 /nfs/dbraw/zinc/68/64/07/601686407.db2.gz OHFPYLOEALIWEL-UHFFFAOYSA-N -1 0 354.407 -0.427 20 0 FBADRM CC(C)(CNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)C(=O)[O-] ZINC000826576962 601687345 /nfs/dbraw/zinc/68/73/45/601687345.db2.gz OVAXYUAMLVPZDS-UHFFFAOYSA-N -1 0 374.419 -0.058 20 0 FBADRM CC(C)(CNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)C(=O)[O-] ZINC000826580304 601683280 /nfs/dbraw/zinc/68/32/80/601683280.db2.gz JEXVZHQGVWNEBV-LLVKDONJSA-N -1 0 365.452 -0.115 20 0 FBADRM CC(C)(CNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)C(=O)[O-] ZINC000826580317 601683220 /nfs/dbraw/zinc/68/32/20/601683220.db2.gz JEXVZHQGVWNEBV-NSHDSACASA-N -1 0 365.452 -0.115 20 0 FBADRM CC(C)(CNC(=O)NCCS(=O)(=O)N1CCSCC1)C(=O)[O-] ZINC000826580973 601671792 /nfs/dbraw/zinc/67/17/92/601671792.db2.gz QGDDRLRJCPOPOQ-UHFFFAOYSA-N -1 0 353.466 -0.225 20 0 FBADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)[C@H](O)C3CC3)ncnc1-2 ZINC000826583613 661112456 /nfs/dbraw/zinc/11/24/56/661112456.db2.gz JQNXDJIWKWSRCO-SECBINFHSA-N -1 0 369.223 -0.202 20 0 FBADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)[C@@H](O)C3CC3)ncnc1-2 ZINC000826583614 661112547 /nfs/dbraw/zinc/11/25/47/661112547.db2.gz JQNXDJIWKWSRCO-VIFPVBQESA-N -1 0 369.223 -0.202 20 0 FBADRM CC(C)(CNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C(=O)[O-] ZINC000826590756 601757241 /nfs/dbraw/zinc/75/72/41/601757241.db2.gz PEKATRGTZUDPDU-UHFFFAOYSA-N -1 0 353.379 -0.026 20 0 FBADRM CC[C@@H](NC(=O)C1(OC)CCN(C(=O)[O-])CC1)C(=O)N1CCOCC1 ZINC000826592367 603830987 /nfs/dbraw/zinc/83/09/87/603830987.db2.gz LUIJEDSMSWEIHN-GFCCVEGCSA-N -1 0 357.407 -0.101 20 0 FBADRM CC[C@H](NC(=O)C1(OC)CCN(C(=O)[O-])CC1)C(=O)N1CCOCC1 ZINC000826592370 603830613 /nfs/dbraw/zinc/83/06/13/603830613.db2.gz LUIJEDSMSWEIHN-LBPRGKRZSA-N -1 0 357.407 -0.101 20 0 FBADRM CC[C@@H](NC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)C(=O)N1CCOCC1 ZINC000826594295 603773828 /nfs/dbraw/zinc/77/38/28/603773828.db2.gz VAOCEDOWHUAQEG-CYBMUJFWSA-N -1 0 370.450 -0.186 20 0 FBADRM CC[C@H](NC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)C(=O)N1CCOCC1 ZINC000826594301 603773760 /nfs/dbraw/zinc/77/37/60/603773760.db2.gz VAOCEDOWHUAQEG-ZDUSSCGKSA-N -1 0 370.450 -0.186 20 0 FBADRM CC(C)(CNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C(=O)[O-] ZINC000826596143 601759356 /nfs/dbraw/zinc/75/93/56/601759356.db2.gz NBWLZEZIBSUVPD-UHFFFAOYSA-N -1 0 353.379 -0.026 20 0 FBADRM CC[C@@H](NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])C(=O)N1CCOCC1 ZINC000826599676 603774088 /nfs/dbraw/zinc/77/40/88/603774088.db2.gz FOCWVFMUYLIXRV-CHWSQXEVSA-N -1 0 357.407 -0.101 20 0 FBADRM CC[C@H](NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])C(=O)N1CCOCC1 ZINC000826599678 603773763 /nfs/dbraw/zinc/77/37/63/603773763.db2.gz FOCWVFMUYLIXRV-OLZOCXBDSA-N -1 0 357.407 -0.101 20 0 FBADRM CC[C@@H](NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])C(=O)N1CCOCC1 ZINC000826599680 603774038 /nfs/dbraw/zinc/77/40/38/603774038.db2.gz FOCWVFMUYLIXRV-QWHCGFSZSA-N -1 0 357.407 -0.101 20 0 FBADRM CC[C@H](NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])C(=O)N1CCOCC1 ZINC000826599681 603773991 /nfs/dbraw/zinc/77/39/91/603773991.db2.gz FOCWVFMUYLIXRV-STQMWFEESA-N -1 0 357.407 -0.101 20 0 FBADRM CC[C@@H](NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000826601593 605774447 /nfs/dbraw/zinc/77/44/47/605774447.db2.gz UHSWVVNAOAWQCF-CHWSQXEVSA-N -1 0 357.407 -0.101 20 0 FBADRM CC[C@H](NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000826601594 605774402 /nfs/dbraw/zinc/77/44/02/605774402.db2.gz UHSWVVNAOAWQCF-OLZOCXBDSA-N -1 0 357.407 -0.101 20 0 FBADRM CC[C@@H](NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000826601595 605774353 /nfs/dbraw/zinc/77/43/53/605774353.db2.gz UHSWVVNAOAWQCF-QWHCGFSZSA-N -1 0 357.407 -0.101 20 0 FBADRM CC[C@H](NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000826601596 605774132 /nfs/dbraw/zinc/77/41/32/605774132.db2.gz UHSWVVNAOAWQCF-STQMWFEESA-N -1 0 357.407 -0.101 20 0 FBADRM CC(C)(CNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)C(=O)[O-] ZINC000826602068 601713655 /nfs/dbraw/zinc/71/36/55/601713655.db2.gz JMIWKFXBCFUJBR-UHFFFAOYSA-N -1 0 365.371 -0.062 20 0 FBADRM CC[C@H](NC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000826607500 604562878 /nfs/dbraw/zinc/56/28/78/604562878.db2.gz LDVYQUCTMMEDHI-AGIUHOORSA-N -1 0 372.422 -0.310 20 0 FBADRM CC[C@H](NC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000826607507 604562709 /nfs/dbraw/zinc/56/27/09/604562709.db2.gz LDVYQUCTMMEDHI-AVGNSLFASA-N -1 0 372.422 -0.310 20 0 FBADRM CC[C@H](NC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000826607550 604562924 /nfs/dbraw/zinc/56/29/24/604562924.db2.gz LDVYQUCTMMEDHI-FRRDWIJNSA-N -1 0 372.422 -0.310 20 0 FBADRM CC[C@H](NC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1)C(=O)N1CCOCC1 ZINC000826607551 604562722 /nfs/dbraw/zinc/56/27/22/604562722.db2.gz LDVYQUCTMMEDHI-RWMBFGLXSA-N -1 0 372.422 -0.310 20 0 FBADRM CC(C)(CO)CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000826611875 604833062 /nfs/dbraw/zinc/83/30/62/604833062.db2.gz QXVBDORYZFKVNM-UHFFFAOYSA-N -1 0 365.386 -0.497 20 0 FBADRM CC(C)(CO)CNC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000826611895 604832778 /nfs/dbraw/zinc/83/27/78/604832778.db2.gz ROXYJELMTOLLFB-UHFFFAOYSA-N -1 0 365.386 -0.036 20 0 FBADRM CC(C)(CO)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000826612013 604833900 /nfs/dbraw/zinc/83/39/00/604833900.db2.gz YCAONCBWNNYQFF-UHFFFAOYSA-N -1 0 351.359 -0.426 20 0 FBADRM CC[C@@H](NC(=O)NCCN1CCN(C(=O)[O-])CC1)C(=O)N1CCOCC1 ZINC000826613855 603845562 /nfs/dbraw/zinc/84/55/62/603845562.db2.gz RZVNRIBPBFLYOR-CYBMUJFWSA-N -1 0 371.438 -0.781 20 0 FBADRM CC[C@H](NC(=O)NCCN1CCN(C(=O)[O-])CC1)C(=O)N1CCOCC1 ZINC000826613856 603845299 /nfs/dbraw/zinc/84/52/99/603845299.db2.gz RZVNRIBPBFLYOR-ZDUSSCGKSA-N -1 0 371.438 -0.781 20 0 FBADRM CC[C@H](O)CN1CCN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CC1 ZINC000826625121 603761935 /nfs/dbraw/zinc/76/19/35/603761935.db2.gz BHFOIBODZAPDSZ-AWEZNQCLSA-N -1 0 356.467 -0.024 20 0 FBADRM CC[C@@H](O)CN1CCN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CC1 ZINC000826625122 603761756 /nfs/dbraw/zinc/76/17/56/603761756.db2.gz BHFOIBODZAPDSZ-CQSZACIVSA-N -1 0 356.467 -0.024 20 0 FBADRM CC(C)(NS(C)(=O)=O)C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000826636794 601356128 /nfs/dbraw/zinc/35/61/28/601356128.db2.gz MITJSUWVKJUCJK-UHFFFAOYSA-N -1 0 350.393 -0.819 20 0 FBADRM CC(C)(NS(C)(=O)=O)C(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000826636945 601356343 /nfs/dbraw/zinc/35/63/43/601356343.db2.gz WPWRCGZOVYLZFM-UHFFFAOYSA-N -1 0 364.420 -0.239 20 0 FBADRM CCC1(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)COC1 ZINC000826640190 604228475 /nfs/dbraw/zinc/22/84/75/604228475.db2.gz SNWQNMHLOAOZDV-UHFFFAOYSA-N -1 0 361.420 -0.751 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)C1=O ZINC000826649965 604702249 /nfs/dbraw/zinc/70/22/49/604702249.db2.gz NSWDPQSJZFLMIM-GHMZBOCLSA-N -1 0 370.406 -0.020 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)C1=O ZINC000826649967 604702360 /nfs/dbraw/zinc/70/23/60/604702360.db2.gz NSWDPQSJZFLMIM-MNOVXSKESA-N -1 0 370.406 -0.020 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)C1=O ZINC000826649968 604702269 /nfs/dbraw/zinc/70/22/69/604702269.db2.gz NSWDPQSJZFLMIM-QWRGUYRKSA-N -1 0 370.406 -0.020 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)C1=O ZINC000826649969 604702196 /nfs/dbraw/zinc/70/21/96/604702196.db2.gz NSWDPQSJZFLMIM-WDEREUQCSA-N -1 0 370.406 -0.020 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)C1=O ZINC000826650683 603607116 /nfs/dbraw/zinc/60/71/16/603607116.db2.gz VLVDHHHUSYZDJD-JTQLQIEISA-N -1 0 355.347 -0.038 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)C1=O ZINC000826650684 603607083 /nfs/dbraw/zinc/60/70/83/603607083.db2.gz VLVDHHHUSYZDJD-SNVBAGLBSA-N -1 0 355.347 -0.038 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])C1=O ZINC000826650697 604394317 /nfs/dbraw/zinc/39/43/17/604394317.db2.gz VPIILGABSUXNSD-LLVKDONJSA-N -1 0 369.422 -0.493 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])C1=O ZINC000826650698 604394411 /nfs/dbraw/zinc/39/44/11/604394411.db2.gz VPIILGABSUXNSD-NSHDSACASA-N -1 0 369.422 -0.493 20 0 FBADRM CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000826651723 600732032 /nfs/dbraw/zinc/73/20/32/600732032.db2.gz LXMFPNOTDWYYEJ-LLVKDONJSA-N -1 0 358.420 -0.107 20 0 FBADRM CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000826651728 600732023 /nfs/dbraw/zinc/73/20/23/600732023.db2.gz LXMFPNOTDWYYEJ-NSHDSACASA-N -1 0 358.420 -0.107 20 0 FBADRM CC(C)C(=O)N1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000826652044 600737315 /nfs/dbraw/zinc/73/73/15/600737315.db2.gz SHWIUZBFFWDQRY-UHFFFAOYSA-N -1 0 358.420 -0.153 20 0 FBADRM CC(C)[C@H](C(=O)OCC(=O)NCCC(=O)[O-])N1CCCS1(=O)=O ZINC000826676727 604840366 /nfs/dbraw/zinc/84/03/66/604840366.db2.gz KEJGURZITKZPJB-GFCCVEGCSA-N -1 0 350.393 -0.819 20 0 FBADRM CC(C)[C@@H](C(=O)OCC(=O)NCCC(=O)[O-])N1CCCS1(=O)=O ZINC000826676728 604840338 /nfs/dbraw/zinc/84/03/38/604840338.db2.gz KEJGURZITKZPJB-LBPRGKRZSA-N -1 0 350.393 -0.819 20 0 FBADRM CC(C)[C@H](C(=O)OCCc1cn(CC(=O)[O-])nn1)N1CCCS1(=O)=O ZINC000826677001 604840478 /nfs/dbraw/zinc/84/04/78/604840478.db2.gz NQNLJMWLSFLDFE-CYBMUJFWSA-N -1 0 374.419 -0.492 20 0 FBADRM CC(C)[C@@H](C(=O)OCCc1cn(CC(=O)[O-])nn1)N1CCCS1(=O)=O ZINC000826677002 604840503 /nfs/dbraw/zinc/84/05/03/604840503.db2.gz NQNLJMWLSFLDFE-ZDUSSCGKSA-N -1 0 374.419 -0.492 20 0 FBADRM CC(C)[C@@H](CCO)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000826681578 601361706 /nfs/dbraw/zinc/36/17/06/601361706.db2.gz QIBBESSIMCTJKU-CYBMUJFWSA-N -1 0 365.386 -0.037 20 0 FBADRM CC(C)[C@H](CCO)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000826681580 601361555 /nfs/dbraw/zinc/36/15/55/601361555.db2.gz QIBBESSIMCTJKU-ZDUSSCGKSA-N -1 0 365.386 -0.037 20 0 FBADRM CC[C@H]1CN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C[C@@H]1N1CCOCC1 ZINC000826683659 603092705 /nfs/dbraw/zinc/09/27/05/603092705.db2.gz WYGNEDXZJRSVPI-KBPBESRZSA-N -1 0 368.434 -0.622 20 0 FBADRM CC[C@@H]1CN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C[C@@H]1N1CCOCC1 ZINC000826683660 603092980 /nfs/dbraw/zinc/09/29/80/603092980.db2.gz WYGNEDXZJRSVPI-KGLIPLIRSA-N -1 0 368.434 -0.622 20 0 FBADRM CC[C@H]1CN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C[C@H]1N1CCOCC1 ZINC000826683661 603092949 /nfs/dbraw/zinc/09/29/49/603092949.db2.gz WYGNEDXZJRSVPI-UONOGXRCSA-N -1 0 368.434 -0.622 20 0 FBADRM CC[C@@H]1CN(C(=O)CN2CCN(C(=O)[O-])CC2=O)C[C@H]1N1CCOCC1 ZINC000826683662 603093064 /nfs/dbraw/zinc/09/30/64/603093064.db2.gz WYGNEDXZJRSVPI-ZIAGYGMSSA-N -1 0 368.434 -0.622 20 0 FBADRM COC1(C(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)CS(=O)(=O)C1 ZINC000826686336 661113359 /nfs/dbraw/zinc/11/33/59/661113359.db2.gz PKFZMBUMODRELP-BDAKNGLRSA-N -1 0 372.365 -0.285 20 0 FBADRM CC(C)[C@@H](CNS(=O)(=O)c1cnn(CC(=O)[O-])c1)N1CCOCC1 ZINC000826687131 600700817 /nfs/dbraw/zinc/70/08/17/600700817.db2.gz GIOBRPMTVBZSKQ-CYBMUJFWSA-N -1 0 360.436 -0.397 20 0 FBADRM CC(C)[C@H](CNS(=O)(=O)c1cnn(CC(=O)[O-])c1)N1CCOCC1 ZINC000826687132 600700766 /nfs/dbraw/zinc/70/07/66/600700766.db2.gz GIOBRPMTVBZSKQ-ZDUSSCGKSA-N -1 0 360.436 -0.397 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)CN(CCOC)C(=O)[O-] ZINC000826690895 604311410 /nfs/dbraw/zinc/31/14/10/604311410.db2.gz MLYFDMRYDWOWDQ-NEPJUHHUSA-N -1 0 365.452 -0.211 20 0 FBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)CN(CCOC)C(=O)[O-] ZINC000826690900 604311445 /nfs/dbraw/zinc/31/14/45/604311445.db2.gz MLYFDMRYDWOWDQ-NWDGAFQWSA-N -1 0 365.452 -0.211 20 0 FBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)CN(CCOC)C(=O)[O-] ZINC000826690901 604311293 /nfs/dbraw/zinc/31/12/93/604311293.db2.gz MLYFDMRYDWOWDQ-RYUDHWBXSA-N -1 0 365.452 -0.211 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)CN(CCOC)C(=O)[O-] ZINC000826690902 604311407 /nfs/dbraw/zinc/31/14/07/604311407.db2.gz MLYFDMRYDWOWDQ-VXGBXAGGSA-N -1 0 365.452 -0.211 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000826691511 604311374 /nfs/dbraw/zinc/31/13/74/604311374.db2.gz SKVNFRRGUIYBDF-GRYCIOLGSA-N -1 0 363.436 -0.459 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000826691512 604311288 /nfs/dbraw/zinc/31/12/88/604311288.db2.gz SKVNFRRGUIYBDF-IJLUTSLNSA-N -1 0 363.436 -0.459 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826691513 604311248 /nfs/dbraw/zinc/31/12/48/604311248.db2.gz SKVNFRRGUIYBDF-UTUOFQBUSA-N -1 0 363.436 -0.459 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000826691514 604311301 /nfs/dbraw/zinc/31/13/01/604311301.db2.gz SKVNFRRGUIYBDF-WOPDTQHZSA-N -1 0 363.436 -0.459 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)COCCNC(=O)[O-] ZINC000826691557 604311479 /nfs/dbraw/zinc/31/14/79/604311479.db2.gz SZAOWUDSOCFUQO-GHMZBOCLSA-N -1 0 351.425 -0.553 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)COCCNC(=O)[O-] ZINC000826691558 604311366 /nfs/dbraw/zinc/31/13/66/604311366.db2.gz SZAOWUDSOCFUQO-MNOVXSKESA-N -1 0 351.425 -0.553 20 0 FBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)COCCNC(=O)[O-] ZINC000826691559 604311205 /nfs/dbraw/zinc/31/12/05/604311205.db2.gz SZAOWUDSOCFUQO-QWRGUYRKSA-N -1 0 351.425 -0.553 20 0 FBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)COCCNC(=O)[O-] ZINC000826691560 604311254 /nfs/dbraw/zinc/31/12/54/604311254.db2.gz SZAOWUDSOCFUQO-WDEREUQCSA-N -1 0 351.425 -0.553 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NCCN(C)C(=O)[O-] ZINC000826691579 605175345 /nfs/dbraw/zinc/17/53/45/605175345.db2.gz TZOOBUAAKJCSLM-GHMZBOCLSA-N -1 0 350.441 -0.045 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NCCN(C)C(=O)[O-] ZINC000826691580 605174607 /nfs/dbraw/zinc/17/46/07/605174607.db2.gz TZOOBUAAKJCSLM-MNOVXSKESA-N -1 0 350.441 -0.045 20 0 FBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NCCN(C)C(=O)[O-] ZINC000826691581 605175391 /nfs/dbraw/zinc/17/53/91/605175391.db2.gz TZOOBUAAKJCSLM-QWRGUYRKSA-N -1 0 350.441 -0.045 20 0 FBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NCCN(C)C(=O)[O-] ZINC000826691582 605175264 /nfs/dbraw/zinc/17/52/64/605175264.db2.gz TZOOBUAAKJCSLM-WDEREUQCSA-N -1 0 350.441 -0.045 20 0 FBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)COC1CN(C(=O)[O-])C1 ZINC000826692005 604311916 /nfs/dbraw/zinc/31/19/16/604311916.db2.gz YSAHNJBSPZQONK-CMPLNLGQSA-N -1 0 363.436 -0.459 20 0 FBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)COC1CN(C(=O)[O-])C1 ZINC000826692006 604312175 /nfs/dbraw/zinc/31/21/75/604312175.db2.gz YSAHNJBSPZQONK-JQWIXIFHSA-N -1 0 363.436 -0.459 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)COC1CN(C(=O)[O-])C1 ZINC000826692007 604312186 /nfs/dbraw/zinc/31/21/86/604312186.db2.gz YSAHNJBSPZQONK-PWSUYJOCSA-N -1 0 363.436 -0.459 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)COC1CN(C(=O)[O-])C1 ZINC000826692008 604312054 /nfs/dbraw/zinc/31/20/54/604312054.db2.gz YSAHNJBSPZQONK-ZYHUDNBSSA-N -1 0 363.436 -0.459 20 0 FBADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000826713499 603933100 /nfs/dbraw/zinc/93/31/00/603933100.db2.gz UNGISCWWPRGKCJ-CYBMUJFWSA-N -1 0 350.441 -0.755 20 0 FBADRM CCC[C@](C)(NC(=O)[O-])C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000826713500 603933064 /nfs/dbraw/zinc/93/30/64/603933064.db2.gz UNGISCWWPRGKCJ-ZDUSSCGKSA-N -1 0 350.441 -0.755 20 0 FBADRM CC(C)[C@]1(C)NC(=O)N(CN(CCN2CCOCC2)CC(=O)[O-])C1=O ZINC000826723114 600984199 /nfs/dbraw/zinc/98/41/99/600984199.db2.gz PNTCVUGDRPIUFW-INIZCTEOSA-N -1 0 356.423 -0.371 20 0 FBADRM CC(C)[C@@]1(C)NC(=O)N(CN(CCN2CCOCC2)CC(=O)[O-])C1=O ZINC000826723117 600984096 /nfs/dbraw/zinc/98/40/96/600984096.db2.gz PNTCVUGDRPIUFW-MRXNPFEDSA-N -1 0 356.423 -0.371 20 0 FBADRM CCC[C@](C)(O)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000826729111 605288618 /nfs/dbraw/zinc/28/86/18/605288618.db2.gz RGGIAAIMUOFLPN-AWEZNQCLSA-N -1 0 363.436 -0.626 20 0 FBADRM CCC[C@@](C)(O)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000826729114 605288497 /nfs/dbraw/zinc/28/84/97/605288497.db2.gz RGGIAAIMUOFLPN-CQSZACIVSA-N -1 0 363.436 -0.626 20 0 FBADRM CCC[C@@H](NC(=O)[O-])C(=O)NC1(C(=O)OC)CCS(=O)(=O)CC1 ZINC000826751318 603731406 /nfs/dbraw/zinc/73/14/06/603731406.db2.gz NESNOEBEKKXOGY-SECBINFHSA-N -1 0 350.393 -0.341 20 0 FBADRM CCC[C@H](NC(=O)[O-])C(=O)NC1(C(=O)OC)CCS(=O)(=O)CC1 ZINC000826751319 603731646 /nfs/dbraw/zinc/73/16/46/603731646.db2.gz NESNOEBEKKXOGY-VIFPVBQESA-N -1 0 350.393 -0.341 20 0 FBADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 ZINC000826751692 605224482 /nfs/dbraw/zinc/22/44/82/605224482.db2.gz PVGQFRRRPVQYCP-GFCCVEGCSA-N -1 0 365.452 -0.067 20 0 FBADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 ZINC000826751693 605224160 /nfs/dbraw/zinc/22/41/60/605224160.db2.gz PVGQFRRRPVQYCP-LBPRGKRZSA-N -1 0 365.452 -0.067 20 0 FBADRM CCCC[C@H](CNC(=O)[O-])NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000826781741 603975706 /nfs/dbraw/zinc/97/57/06/603975706.db2.gz RKKUZUDPKZQLOM-LLVKDONJSA-N -1 0 350.441 -0.156 20 0 FBADRM CCCC[C@@H](CNC(=O)[O-])NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000826781745 603975667 /nfs/dbraw/zinc/97/56/67/603975667.db2.gz RKKUZUDPKZQLOM-NSHDSACASA-N -1 0 350.441 -0.156 20 0 FBADRM CCCC[C@H](CNC(=O)[O-])NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000826781822 604377858 /nfs/dbraw/zinc/37/78/58/604377858.db2.gz RYUMQHJTFSLREE-GFCCVEGCSA-N -1 0 364.468 -0.494 20 0 FBADRM CCCC[C@@H](CNC(=O)[O-])NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000826781823 604377809 /nfs/dbraw/zinc/37/78/09/604377809.db2.gz RYUMQHJTFSLREE-LBPRGKRZSA-N -1 0 364.468 -0.494 20 0 FBADRM CC(C)C[C@@H](NC(=O)CN1CCN(c2cnn(C)c2)C(=O)C1)C(=O)[O-] ZINC000826785686 601423865 /nfs/dbraw/zinc/42/38/65/601423865.db2.gz ATVIEFBIWDKTPS-CYBMUJFWSA-N -1 0 351.407 -0.316 20 0 FBADRM CC(C)C[C@H](NC(=O)CN1CCN(c2cnn(C)c2)C(=O)C1)C(=O)[O-] ZINC000826785687 601423807 /nfs/dbraw/zinc/42/38/07/601423807.db2.gz ATVIEFBIWDKTPS-ZDUSSCGKSA-N -1 0 351.407 -0.316 20 0 FBADRM CC(C)C[C@@H](NC(=O)COC(=O)C1CC2(C1)NC(=O)NC2=O)C(=O)[O-] ZINC000826785708 604606520 /nfs/dbraw/zinc/60/65/20/604606520.db2.gz BVSJRMVAKZUWQO-OSPBMLLASA-N -1 0 355.347 -0.867 20 0 FBADRM CC(C)C[C@H](NC(=O)COC(=O)C1CC2(C1)NC(=O)NC2=O)C(=O)[O-] ZINC000826785709 604606318 /nfs/dbraw/zinc/60/63/18/604606318.db2.gz BVSJRMVAKZUWQO-WWNCPBBQSA-N -1 0 355.347 -0.867 20 0 FBADRM CC(C)C[C@@H](NC(=O)CN1CCC([C@]2(C)NC(=O)NC2=O)CC1)C(=O)[O-] ZINC000826785956 601538150 /nfs/dbraw/zinc/53/81/50/601538150.db2.gz IDHWKQUFTBSPKP-PXAZEXFGSA-N -1 0 368.434 -0.088 20 0 FBADRM CC(C)C[C@H](NC(=O)CN1CCC([C@]2(C)NC(=O)NC2=O)CC1)C(=O)[O-] ZINC000826785957 601538180 /nfs/dbraw/zinc/53/81/80/601538180.db2.gz IDHWKQUFTBSPKP-SJCJKPOMSA-N -1 0 368.434 -0.088 20 0 FBADRM CC(C)C[C@@H](NC(=O)CN1CCC([C@@]2(C)NC(=O)NC2=O)CC1)C(=O)[O-] ZINC000826785958 601538096 /nfs/dbraw/zinc/53/80/96/601538096.db2.gz IDHWKQUFTBSPKP-SJKOYZFVSA-N -1 0 368.434 -0.088 20 0 FBADRM CC(C)C[C@H](NC(=O)CN1CCC([C@@]2(C)NC(=O)NC2=O)CC1)C(=O)[O-] ZINC000826785959 601538098 /nfs/dbraw/zinc/53/80/98/601538098.db2.gz IDHWKQUFTBSPKP-YVEFUNNKSA-N -1 0 368.434 -0.088 20 0 FBADRM CC(C)C[C@@H](NC(=O)CN1CCN(c2nccn(C)c2=O)CC1)C(=O)[O-] ZINC000826786226 600799774 /nfs/dbraw/zinc/79/97/74/600799774.db2.gz NAPVTZVVNXQNNR-CYBMUJFWSA-N -1 0 365.434 -0.482 20 0 FBADRM CC(C)C[C@H](NC(=O)CN1CCN(c2nccn(C)c2=O)CC1)C(=O)[O-] ZINC000826786227 600799926 /nfs/dbraw/zinc/79/99/26/600799926.db2.gz NAPVTZVVNXQNNR-ZDUSSCGKSA-N -1 0 365.434 -0.482 20 0 FBADRM CC(C)C[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000826787285 601346344 /nfs/dbraw/zinc/34/63/44/601346344.db2.gz QXVCNNSXVMVLJK-CYBMUJFWSA-N -1 0 365.386 -0.037 20 0 FBADRM CC(C)C[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000826787287 601346189 /nfs/dbraw/zinc/34/61/89/601346189.db2.gz QXVCNNSXVMVLJK-ZDUSSCGKSA-N -1 0 365.386 -0.037 20 0 FBADRM CC(C)C[C@@H](NC(=O)COC(=O)C(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000826787921 601356386 /nfs/dbraw/zinc/35/63/86/601356386.db2.gz VESWKTQAOJLGIU-SECBINFHSA-N -1 0 352.409 -0.527 20 0 FBADRM CC(C)C[C@H](NC(=O)COC(=O)C(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000826787923 601356404 /nfs/dbraw/zinc/35/64/04/601356404.db2.gz VESWKTQAOJLGIU-VIFPVBQESA-N -1 0 352.409 -0.527 20 0 FBADRM CC(C)C[C@H](NC(=O)CN1CCN(c2nc(N)ns2)CC1)C(=O)[O-] ZINC000826788471 602328223 /nfs/dbraw/zinc/32/82/23/602328223.db2.gz YNCMFPQALMVVEC-JTQLQIEISA-N -1 0 356.452 -0.142 20 0 FBADRM CC(C)C[C@@H](NC(=O)CN1CCN(c2nc(N)ns2)CC1)C(=O)[O-] ZINC000826788477 602328230 /nfs/dbraw/zinc/32/82/30/602328230.db2.gz YNCMFPQALMVVEC-SNVBAGLBSA-N -1 0 356.452 -0.142 20 0 FBADRM CC(C)C[C@@H](NC(=O)COC(=O)Cn1cnc2c1ncnc2N)C(=O)[O-] ZINC000826793881 601473266 /nfs/dbraw/zinc/47/32/66/601473266.db2.gz TXBCZBUJLXTXQG-SECBINFHSA-N -1 0 364.362 -0.433 20 0 FBADRM CC(C)C[C@H](NC(=O)COC(=O)Cn1cnc2c1ncnc2N)C(=O)[O-] ZINC000826793883 601473212 /nfs/dbraw/zinc/47/32/12/601473212.db2.gz TXBCZBUJLXTXQG-VIFPVBQESA-N -1 0 364.362 -0.433 20 0 FBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000826800057 601428358 /nfs/dbraw/zinc/42/83/58/601428358.db2.gz FLCIPCGKABOEPJ-LLVKDONJSA-N -1 0 362.408 -0.108 20 0 FBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000826800067 601428352 /nfs/dbraw/zinc/42/83/52/601428352.db2.gz FLCIPCGKABOEPJ-NSHDSACASA-N -1 0 362.408 -0.108 20 0 FBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)OCCNS(=O)(=O)c1cnn(C)c1 ZINC000826808850 601121100 /nfs/dbraw/zinc/12/11/00/601121100.db2.gz UXCZBWDNFSISGT-LLVKDONJSA-N -1 0 362.408 -0.076 20 0 FBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)OCCNS(=O)(=O)c1cnn(C)c1 ZINC000826808862 601121089 /nfs/dbraw/zinc/12/10/89/601121089.db2.gz UXCZBWDNFSISGT-NSHDSACASA-N -1 0 362.408 -0.076 20 0 FBADRM CC(C)C[C@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000826812800 600952943 /nfs/dbraw/zinc/95/29/43/600952943.db2.gz LUPQKZMTXYYMKH-JTQLQIEISA-N -1 0 366.374 -0.134 20 0 FBADRM CC(C)C[C@@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000826812802 600952926 /nfs/dbraw/zinc/95/29/26/600952926.db2.gz LUPQKZMTXYYMKH-SNVBAGLBSA-N -1 0 366.374 -0.134 20 0 FBADRM CCCC[C@@H](NC(=O)NCC)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000826813912 605361443 /nfs/dbraw/zinc/36/14/43/605361443.db2.gz KDKWMIOVHWAEJQ-GFCCVEGCSA-N -1 0 371.438 -0.197 20 0 FBADRM CCCC[C@H](NC(=O)NCC)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000826813915 605361488 /nfs/dbraw/zinc/36/14/88/605361488.db2.gz KDKWMIOVHWAEJQ-LBPRGKRZSA-N -1 0 371.438 -0.197 20 0 FBADRM CCCC[C@H](CNC(=O)[O-])NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000826816013 603922602 /nfs/dbraw/zinc/92/26/02/603922602.db2.gz WZXCXLLCCPAKFY-SECBINFHSA-N -1 0 362.408 -0.811 20 0 FBADRM CCCC[C@@H](CNC(=O)[O-])NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000826816014 603922643 /nfs/dbraw/zinc/92/26/43/603922643.db2.gz WZXCXLLCCPAKFY-VIFPVBQESA-N -1 0 362.408 -0.811 20 0 FBADRM CC(C)C[C@@H](OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)[O-] ZINC000826819821 600951496 /nfs/dbraw/zinc/95/14/96/600951496.db2.gz MHBQYQLQKDVCRN-SECBINFHSA-N -1 0 352.347 -0.524 20 0 FBADRM CC(C)C[C@H](OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)[O-] ZINC000826819828 600951269 /nfs/dbraw/zinc/95/12/69/600951269.db2.gz MHBQYQLQKDVCRN-VIFPVBQESA-N -1 0 352.347 -0.524 20 0 FBADRM CC(C)C[C@@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000826821067 600958203 /nfs/dbraw/zinc/95/82/03/600958203.db2.gz XGYIRXYNEOMJAZ-SECBINFHSA-N -1 0 352.347 -0.524 20 0 FBADRM CC(C)C[C@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000826821068 600958402 /nfs/dbraw/zinc/95/84/02/600958402.db2.gz XGYIRXYNEOMJAZ-VIFPVBQESA-N -1 0 352.347 -0.524 20 0 FBADRM CCCCN(C(=O)Cn1nnnc1CNC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000826830395 604030584 /nfs/dbraw/zinc/03/05/84/604030584.db2.gz PFQVQLNWQRJBGG-JTQLQIEISA-N -1 0 374.423 -0.744 20 0 FBADRM CCCCN(C(=O)Cn1nnnc1CNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000826830398 604030839 /nfs/dbraw/zinc/03/08/39/604030839.db2.gz PFQVQLNWQRJBGG-SNVBAGLBSA-N -1 0 374.423 -0.744 20 0 FBADRM CS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c(Cl)cn1 ZINC000826833838 661114257 /nfs/dbraw/zinc/11/42/57/661114257.db2.gz JFTKFQMFXCJRMQ-SECBINFHSA-N -1 0 372.794 -0.135 20 0 FBADRM CS(=O)(=O)c1cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c(Cl)cn1 ZINC000826833839 661114180 /nfs/dbraw/zinc/11/41/80/661114180.db2.gz JFTKFQMFXCJRMQ-VIFPVBQESA-N -1 0 372.794 -0.135 20 0 FBADRM CS(=O)(=O)C[C@@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)c1ccccc1 ZINC000826834024 661114238 /nfs/dbraw/zinc/11/42/38/661114238.db2.gz LINMPFLVQMEOFH-CHWSQXEVSA-N -1 0 365.415 -0.072 20 0 FBADRM CS(=O)(=O)C[C@@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)c1ccccc1 ZINC000826834025 661114317 /nfs/dbraw/zinc/11/43/17/661114317.db2.gz LINMPFLVQMEOFH-OLZOCXBDSA-N -1 0 365.415 -0.072 20 0 FBADRM CS(=O)(=O)C[C@H](C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)c1ccccc1 ZINC000826834026 661114248 /nfs/dbraw/zinc/11/42/48/661114248.db2.gz LINMPFLVQMEOFH-QWHCGFSZSA-N -1 0 365.415 -0.072 20 0 FBADRM CS(=O)(=O)C[C@H](C(=O)N1CCO[C@H](c2nnn[n-]2)C1)c1ccccc1 ZINC000826834027 661114196 /nfs/dbraw/zinc/11/41/96/661114196.db2.gz LINMPFLVQMEOFH-STQMWFEESA-N -1 0 365.415 -0.072 20 0 FBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000826834897 661114304 /nfs/dbraw/zinc/11/43/04/661114304.db2.gz YCCYRMYECRBPHC-GHMZBOCLSA-N -1 0 358.424 -0.794 20 0 FBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000826834900 661114363 /nfs/dbraw/zinc/11/43/63/661114363.db2.gz YCCYRMYECRBPHC-WDEREUQCSA-N -1 0 358.424 -0.794 20 0 FBADRM CCCCNC(=O)CN1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000826836114 603969464 /nfs/dbraw/zinc/96/94/64/603969464.db2.gz GNMXMAQZJYAVQL-UHFFFAOYSA-N -1 0 356.423 -0.574 20 0 FBADRM CCCCNC(=O)CN1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000826836157 604653987 /nfs/dbraw/zinc/65/39/87/604653987.db2.gz HDUYMVKSUJRTAU-AWEZNQCLSA-N -1 0 370.450 -0.184 20 0 FBADRM CCCCNC(=O)CN1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000826836158 604654134 /nfs/dbraw/zinc/65/41/34/604654134.db2.gz HDUYMVKSUJRTAU-CQSZACIVSA-N -1 0 370.450 -0.184 20 0 FBADRM CCCCNC(=O)CN1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000826836159 604654117 /nfs/dbraw/zinc/65/41/17/604654117.db2.gz HEFAIBKRCKKHIU-CYBMUJFWSA-N -1 0 356.423 -0.574 20 0 FBADRM CCCCNC(=O)CN1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000826836160 604654222 /nfs/dbraw/zinc/65/42/22/604654222.db2.gz HEFAIBKRCKKHIU-ZDUSSCGKSA-N -1 0 356.423 -0.574 20 0 FBADRM CCCCNC(=O)CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000826836785 603918046 /nfs/dbraw/zinc/91/80/46/603918046.db2.gz QNRPBALXRXOVJM-UHFFFAOYSA-N -1 0 362.452 -0.788 20 0 FBADRM CCCCNC(=O)NC(=O)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000826837299 603873372 /nfs/dbraw/zinc/87/33/72/603873372.db2.gz WWYOYIKERQMOOE-UHFFFAOYSA-N -1 0 369.378 -0.323 20 0 FBADRM CC(C)C[C@H]1NC(=O)N(CN(CCN2CCOCC2)CC(=O)[O-])C1=O ZINC000826841111 600984101 /nfs/dbraw/zinc/98/41/01/600984101.db2.gz VKCRPNICUCJMBL-CYBMUJFWSA-N -1 0 356.423 -0.371 20 0 FBADRM CC(C)C[C@@H]1NC(=O)N(CN(CCN2CCOCC2)CC(=O)[O-])C1=O ZINC000826841113 600984399 /nfs/dbraw/zinc/98/43/99/600984399.db2.gz VKCRPNICUCJMBL-ZDUSSCGKSA-N -1 0 356.423 -0.371 20 0 FBADRM CCCCOCCNC(=O)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000826842389 603630252 /nfs/dbraw/zinc/63/02/52/603630252.db2.gz NOIMZWCQRLIEQC-UHFFFAOYSA-N -1 0 370.406 -0.016 20 0 FBADRM CCCCOCCNC(=O)CN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O ZINC000826842581 605351357 /nfs/dbraw/zinc/35/13/57/605351357.db2.gz PYTUTEQTYOUHIS-HNNXBMFYSA-N -1 0 356.379 -0.406 20 0 FBADRM CCCCOCCNC(=O)CN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O ZINC000826842584 605351791 /nfs/dbraw/zinc/35/17/91/605351791.db2.gz PYTUTEQTYOUHIS-OAHLLOKOSA-N -1 0 356.379 -0.406 20 0 FBADRM CCCCOCC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000826842787 603940181 /nfs/dbraw/zinc/94/01/81/603940181.db2.gz WMERFAZRYBLMOI-UHFFFAOYSA-N -1 0 363.436 -0.361 20 0 FBADRM CCCCS(=O)(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000826848346 604046117 /nfs/dbraw/zinc/04/61/17/604046117.db2.gz WSEYGPJKJMTICY-UHFFFAOYSA-N -1 0 369.465 -0.574 20 0 FBADRM CCCN(C(=O)CN1C(=O)C(=O)N(C)C1=O)C1CCN(C(=O)[O-])CC1 ZINC000826862632 605880757 /nfs/dbraw/zinc/88/07/57/605880757.db2.gz MOCIVKKNCLRSKC-UHFFFAOYSA-N -1 0 354.363 -0.212 20 0 FBADRM CCCN(C(=O)CNS(=O)(=O)c1cn(C)cn1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826862894 603530692 /nfs/dbraw/zinc/53/06/92/603530692.db2.gz QTNNRULSAPKVFV-LLVKDONJSA-N -1 0 373.435 -0.311 20 0 FBADRM CCCN(C(=O)CNS(=O)(=O)c1cn(C)cn1)[C@H]1CCN(C(=O)[O-])C1 ZINC000826862897 603530083 /nfs/dbraw/zinc/53/00/83/603530083.db2.gz QTNNRULSAPKVFV-NSHDSACASA-N -1 0 373.435 -0.311 20 0 FBADRM CCCN(C(=O)Cn1cc(S(N)(=O)=O)cn1)[C@H]1CCN(C(=O)[O-])C1 ZINC000826865962 604928942 /nfs/dbraw/zinc/92/89/42/604928942.db2.gz CMBAPWSOXXUOFC-JTQLQIEISA-N -1 0 359.408 -0.479 20 0 FBADRM CCCN(C(=O)Cn1cc(S(N)(=O)=O)cn1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826865963 604928948 /nfs/dbraw/zinc/92/89/48/604928948.db2.gz CMBAPWSOXXUOFC-SNVBAGLBSA-N -1 0 359.408 -0.479 20 0 FBADRM CCCN(C(=O)Cn1cc(S(N)(=O)=O)cn1)C1CCN(C(=O)[O-])CC1 ZINC000826866703 605816532 /nfs/dbraw/zinc/81/65/32/605816532.db2.gz QDCMPCODWXWUNP-UHFFFAOYSA-N -1 0 373.435 -0.089 20 0 FBADRM CCCN(C(=O)Cn1ccc(=O)n(C)c1=O)C1CCN(C(=O)[O-])CC1 ZINC000826867635 605816541 /nfs/dbraw/zinc/81/65/41/605816541.db2.gz YMKCMLMJULJUMH-UHFFFAOYSA-N -1 0 352.391 -0.072 20 0 FBADRM CC(C)CN1C(=O)C(=O)N(CN(CCN2CCOCC2)CC(=O)[O-])C1=O ZINC000826881093 600984420 /nfs/dbraw/zinc/98/44/20/600984420.db2.gz DHAHSZXENCWSJC-UHFFFAOYSA-N -1 0 370.406 -0.891 20 0 FBADRM CC(C)CN1C[C@H](C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1=O ZINC000826881418 601716302 /nfs/dbraw/zinc/71/63/02/601716302.db2.gz SJLGKWBYXMXVLJ-LLVKDONJSA-N -1 0 360.432 -0.361 20 0 FBADRM CC(C)CN1C[C@@H](C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1=O ZINC000826881419 601716329 /nfs/dbraw/zinc/71/63/29/601716329.db2.gz SJLGKWBYXMXVLJ-NSHDSACASA-N -1 0 360.432 -0.361 20 0 FBADRM CC(C)CN1CCO[C@H](CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000826886176 600707039 /nfs/dbraw/zinc/70/70/39/600707039.db2.gz SVHVOMKAIXJJFN-GFCCVEGCSA-N -1 0 360.436 -0.397 20 0 FBADRM CC(C)CN1CCO[C@@H](CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000826886177 600707031 /nfs/dbraw/zinc/70/70/31/600707031.db2.gz SVHVOMKAIXJJFN-LBPRGKRZSA-N -1 0 360.436 -0.397 20 0 FBADRM CC(C)CNC(=O)[C@@H]1CSCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000826886340 601257521 /nfs/dbraw/zinc/25/75/21/601257521.db2.gz VOCUAUUDMGPXGE-JTQLQIEISA-N -1 0 353.466 -0.215 20 0 FBADRM CC(C)CNC(=O)[C@H]1CSCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000826886341 601257752 /nfs/dbraw/zinc/25/77/52/601257752.db2.gz VOCUAUUDMGPXGE-SNVBAGLBSA-N -1 0 353.466 -0.215 20 0 FBADRM CCCN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000826893640 604761886 /nfs/dbraw/zinc/76/18/86/604761886.db2.gz WYLXYVMEQZAOKH-LLVKDONJSA-N -1 0 350.441 -0.331 20 0 FBADRM CCCN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000826893641 604761811 /nfs/dbraw/zinc/76/18/11/604761811.db2.gz WYLXYVMEQZAOKH-NSHDSACASA-N -1 0 350.441 -0.331 20 0 FBADRM CCCN([C@@H]1CCN(C(=O)[O-])C1)S(=O)(=O)CCNS(=O)(=O)CC ZINC000826896699 603577883 /nfs/dbraw/zinc/57/78/83/603577883.db2.gz BBNDGZDUIDKRRL-LLVKDONJSA-N -1 0 371.481 -0.280 20 0 FBADRM CCCN([C@H]1CCN(C(=O)[O-])C1)S(=O)(=O)CCNS(=O)(=O)CC ZINC000826896700 603577923 /nfs/dbraw/zinc/57/79/23/603577923.db2.gz BBNDGZDUIDKRRL-NSHDSACASA-N -1 0 371.481 -0.280 20 0 FBADRM CCCN(CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000826912396 603597917 /nfs/dbraw/zinc/59/79/17/603597917.db2.gz ZDKAVOVFAIZOQU-CHWSQXEVSA-N -1 0 374.463 -0.057 20 0 FBADRM CCCN(CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000826912397 603597476 /nfs/dbraw/zinc/59/74/76/603597476.db2.gz ZDKAVOVFAIZOQU-OLZOCXBDSA-N -1 0 374.463 -0.057 20 0 FBADRM CCCN(CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000826912398 603598022 /nfs/dbraw/zinc/59/80/22/603598022.db2.gz ZDKAVOVFAIZOQU-QWHCGFSZSA-N -1 0 374.463 -0.057 20 0 FBADRM CCCN(CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000826912399 603597489 /nfs/dbraw/zinc/59/74/89/603597489.db2.gz ZDKAVOVFAIZOQU-STQMWFEESA-N -1 0 374.463 -0.057 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CC[C@@](F)(C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000826912747 601551498 /nfs/dbraw/zinc/55/14/98/601551498.db2.gz GFBWNKUDDQAVHO-HNNXBMFYSA-N -1 0 356.354 -0.132 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CC[C@](F)(C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000826912748 601551251 /nfs/dbraw/zinc/55/12/51/601551251.db2.gz GFBWNKUDDQAVHO-OAHLLOKOSA-N -1 0 356.354 -0.132 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000826912962 601537591 /nfs/dbraw/zinc/53/75/91/601537591.db2.gz MAOALTWLEUDIMB-GHMZBOCLSA-N -1 0 366.418 -0.380 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2C[C@H](C(=O)[O-])[C@H](C)C2)c(=O)n(C)c1=O ZINC000826912963 601537716 /nfs/dbraw/zinc/53/77/16/601537716.db2.gz MAOALTWLEUDIMB-MNOVXSKESA-N -1 0 366.418 -0.380 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2C[C@H](C)[C@@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000826912964 601537930 /nfs/dbraw/zinc/53/79/30/601537930.db2.gz MAOALTWLEUDIMB-QWRGUYRKSA-N -1 0 366.418 -0.380 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000826912965 601537612 /nfs/dbraw/zinc/53/76/12/601537612.db2.gz MAOALTWLEUDIMB-WDEREUQCSA-N -1 0 366.418 -0.380 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CC[C@@](F)(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000826913193 601550386 /nfs/dbraw/zinc/55/03/86/601550386.db2.gz QVEBGEVDMMSTRN-INIZCTEOSA-N -1 0 370.381 -0.534 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CC[C@](F)(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000826913196 601550532 /nfs/dbraw/zinc/55/05/32/601550532.db2.gz QVEBGEVDMMSTRN-MRXNPFEDSA-N -1 0 370.381 -0.534 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN(CC(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000826913238 601578940 /nfs/dbraw/zinc/57/89/40/601578940.db2.gz RXGQYFDCJHJSMT-UHFFFAOYSA-N -1 0 352.391 -0.483 20 0 FBADRM CC(C)Cc1nnc(NC(=O)CN2CCNC(=O)[C@H]2CC(=O)[O-])s1 ZINC000826913338 604454062 /nfs/dbraw/zinc/45/40/62/604454062.db2.gz URKMKYUFIBPLAK-SECBINFHSA-N -1 0 355.420 -0.050 20 0 FBADRM CC(C)Cc1nnc(NC(=O)CN2CCNC(=O)[C@@H]2CC(=O)[O-])s1 ZINC000826913340 604453882 /nfs/dbraw/zinc/45/38/82/604453882.db2.gz URKMKYUFIBPLAK-VIFPVBQESA-N -1 0 355.420 -0.050 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN(C)C(C)(C)C(=O)[O-])c(=O)n(C)c1=O ZINC000826913400 601002950 /nfs/dbraw/zinc/00/29/50/601002950.db2.gz VYQLDJCKZYRALI-UHFFFAOYSA-N -1 0 354.407 -0.237 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CC[C@](C)(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000826913454 601921111 /nfs/dbraw/zinc/92/11/11/601921111.db2.gz WXXMMLGZTZGWKE-KRWDZBQOSA-N -1 0 366.418 -0.236 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CC[C@@](C)(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000826913461 601921333 /nfs/dbraw/zinc/92/13/33/601921333.db2.gz WXXMMLGZTZGWKE-QGZVFWFLSA-N -1 0 366.418 -0.236 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CCO[C@@H](CC(=O)[O-])C2)c(=O)[nH]c1=O ZINC000826917379 601569753 /nfs/dbraw/zinc/56/97/53/601569753.db2.gz ALBWFMDQDIZROA-JTQLQIEISA-N -1 0 368.390 -0.455 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CCO[C@H](CC(=O)[O-])C2)c(=O)[nH]c1=O ZINC000826917380 601569768 /nfs/dbraw/zinc/56/97/68/601569768.db2.gz ALBWFMDQDIZROA-SNVBAGLBSA-N -1 0 368.390 -0.455 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CCOC[C@@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC000826917736 601559427 /nfs/dbraw/zinc/55/94/27/601559427.db2.gz JLFIMHGWNJHTJA-SECBINFHSA-N -1 0 354.363 -0.845 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CCOC[C@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC000826917737 601559518 /nfs/dbraw/zinc/55/95/18/601559518.db2.gz JLFIMHGWNJHTJA-VIFPVBQESA-N -1 0 354.363 -0.845 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)N(CCN2CCOCC2)CC(=O)[O-])c1 ZINC000826918156 601259925 /nfs/dbraw/zinc/25/99/25/601259925.db2.gz XPFGAUAICFVLTN-UHFFFAOYSA-N -1 0 374.463 -0.053 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)COC(=O)[C@H](C)CC(=O)[O-])c(=O)n(C)c1=O ZINC000826918222 602278478 /nfs/dbraw/zinc/27/84/78/602278478.db2.gz ZVAZETVCYSQRRI-SECBINFHSA-N -1 0 369.374 -0.378 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)COC(=O)[C@@H](C)CC(=O)[O-])c(=O)n(C)c1=O ZINC000826918223 602278343 /nfs/dbraw/zinc/27/83/43/602278343.db2.gz ZVAZETVCYSQRRI-VIFPVBQESA-N -1 0 369.374 -0.378 20 0 FBADRM CCCNC(=O)[C@@H](C)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000826921722 603917785 /nfs/dbraw/zinc/91/77/85/603917785.db2.gz PVSRSTQTYYAPES-LLVKDONJSA-N -1 0 362.452 -0.789 20 0 FBADRM CCCNC(=O)[C@H](C)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000826921723 603918224 /nfs/dbraw/zinc/91/82/24/603918224.db2.gz PVSRSTQTYYAPES-NSHDSACASA-N -1 0 362.452 -0.789 20 0 FBADRM CCCNC(=O)CN1CCC(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000826925325 604706468 /nfs/dbraw/zinc/70/64/68/604706468.db2.gz FKWPVCUSCNRGSF-CYBMUJFWSA-N -1 0 356.423 -0.528 20 0 FBADRM CCCNC(=O)CN1CCC(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000826925326 604706644 /nfs/dbraw/zinc/70/66/44/604706644.db2.gz FKWPVCUSCNRGSF-ZDUSSCGKSA-N -1 0 356.423 -0.528 20 0 FBADRM CCCNC(=O)CN1CCC(NC(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000826925885 603745788 /nfs/dbraw/zinc/74/57/88/603745788.db2.gz OAEDNXBQBCADBP-UHFFFAOYSA-N -1 0 356.423 -0.528 20 0 FBADRM CCCNC(=O)CN1CCC(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000826926118 604706711 /nfs/dbraw/zinc/70/67/11/604706711.db2.gz SJDJBVFKXQSCKT-AWEZNQCLSA-N -1 0 370.450 -0.138 20 0 FBADRM CCCNC(=O)CN1CCC(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000826926119 604706767 /nfs/dbraw/zinc/70/67/67/604706767.db2.gz SJDJBVFKXQSCKT-CQSZACIVSA-N -1 0 370.450 -0.138 20 0 FBADRM CC(C)N(C)C(=O)[C@@H]1CSCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000826930352 600994351 /nfs/dbraw/zinc/99/43/51/600994351.db2.gz JQYXLHMMWIMOEY-JTQLQIEISA-N -1 0 353.466 -0.121 20 0 FBADRM CC(C)N(C)C(=O)[C@H]1CSCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000826930355 600994129 /nfs/dbraw/zinc/99/41/29/600994129.db2.gz JQYXLHMMWIMOEY-SNVBAGLBSA-N -1 0 353.466 -0.121 20 0 FBADRM CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)[O-])cc1 ZINC000826931168 603706411 /nfs/dbraw/zinc/70/64/11/603706411.db2.gz LNIAXGKKTHSIFY-UHFFFAOYSA-N -1 0 372.403 -0.303 20 0 FBADRM CCCOC(=O)[C@@H](C)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000826931452 603918067 /nfs/dbraw/zinc/91/80/67/603918067.db2.gz PDKPGNIUVFQUTR-LLVKDONJSA-N -1 0 363.436 -0.362 20 0 FBADRM CCCOC(=O)[C@H](C)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000826931453 603917890 /nfs/dbraw/zinc/91/78/90/603917890.db2.gz PDKPGNIUVFQUTR-NSHDSACASA-N -1 0 363.436 -0.362 20 0 FBADRM CC(C)N(CCC(=O)[O-])C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000826940811 604599513 /nfs/dbraw/zinc/59/95/13/604599513.db2.gz YEPTVPZSTZMIDV-UHFFFAOYSA-N -1 0 357.388 -0.016 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)NCCN2CCC3(C2)OCCO3)cc1=O ZINC000826941421 661114954 /nfs/dbraw/zinc/11/49/54/661114954.db2.gz JDJBZMKMTDLALS-UHFFFAOYSA-N -1 0 352.435 -0.060 20 0 FBADRM CCCS(=O)(=O)NC1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000826944621 604704351 /nfs/dbraw/zinc/70/43/51/604704351.db2.gz DCUHBOGVRNDKMA-GFCCVEGCSA-N -1 0 363.436 -0.314 20 0 FBADRM CCCS(=O)(=O)NC1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000826944622 604704232 /nfs/dbraw/zinc/70/42/32/604704232.db2.gz DCUHBOGVRNDKMA-LBPRGKRZSA-N -1 0 363.436 -0.314 20 0 FBADRM CCCS(=O)(=O)NC1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000826944647 603745837 /nfs/dbraw/zinc/74/58/37/603745837.db2.gz DRUFIFZDAHSUKH-UHFFFAOYSA-N -1 0 363.436 -0.314 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000826944741 603745814 /nfs/dbraw/zinc/74/58/14/603745814.db2.gz HMAAGESTMDVCAT-UHFFFAOYSA-N -1 0 363.436 -0.314 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000826944747 604710515 /nfs/dbraw/zinc/71/05/15/604710515.db2.gz HVWFYFACVICAGV-GFCCVEGCSA-N -1 0 363.436 -0.314 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000826944748 604710607 /nfs/dbraw/zinc/71/06/07/604710607.db2.gz HVWFYFACVICAGV-LBPRGKRZSA-N -1 0 363.436 -0.314 20 0 FBADRM CCCS(=O)(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000826944903 603919402 /nfs/dbraw/zinc/91/94/02/603919402.db2.gz MALZAIMWGMGTPK-UHFFFAOYSA-N -1 0 355.438 -0.964 20 0 FBADRM CC(C)N(CCCNC(=O)Cn1cc(C(=O)[O-])ccc1=O)S(C)(=O)=O ZINC000826946911 601897429 /nfs/dbraw/zinc/89/74/29/601897429.db2.gz IZGUAJUGBZTGAA-UHFFFAOYSA-N -1 0 373.431 -0.277 20 0 FBADRM CC(C)N(CCCNC(=O)CN1CC[C@@](F)(C(=O)[O-])C1)S(C)(=O)=O ZINC000826946935 601552763 /nfs/dbraw/zinc/55/27/63/601552763.db2.gz KSQKVMJERMIDFJ-AWEZNQCLSA-N -1 0 367.443 -0.339 20 0 FBADRM CC(C)N(CCCNC(=O)CN1CC[C@](F)(C(=O)[O-])C1)S(C)(=O)=O ZINC000826946937 601552732 /nfs/dbraw/zinc/55/27/32/601552732.db2.gz KSQKVMJERMIDFJ-CQSZACIVSA-N -1 0 367.443 -0.339 20 0 FBADRM CCCSCC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000826948678 603553692 /nfs/dbraw/zinc/55/36/92/603553692.db2.gz GTKGFLDULQLDIB-UHFFFAOYSA-N -1 0 365.477 -0.034 20 0 FBADRM CCC[C@@H](NC(N)=O)C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000826948875 604354865 /nfs/dbraw/zinc/35/48/65/604354865.db2.gz ILPMPVJHLXLFPN-GHMZBOCLSA-N -1 0 357.411 -0.554 20 0 FBADRM CCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000826948878 604354590 /nfs/dbraw/zinc/35/45/90/604354590.db2.gz ILPMPVJHLXLFPN-WDEREUQCSA-N -1 0 357.411 -0.554 20 0 FBADRM CCCc1nc([C@@H]2CN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])CCO2)n[nH]1 ZINC000826954577 603861239 /nfs/dbraw/zinc/86/12/39/603861239.db2.gz RZIALDVIPPXHKJ-AXFHLTTASA-N -1 0 353.379 -0.230 20 0 FBADRM CCCc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])CCO2)n[nH]1 ZINC000826954581 603861013 /nfs/dbraw/zinc/86/10/13/603861013.db2.gz RZIALDVIPPXHKJ-DCAQKATOSA-N -1 0 353.379 -0.230 20 0 FBADRM CCCc1nc([C@@H]2CN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])CCO2)n[nH]1 ZINC000826954583 603861063 /nfs/dbraw/zinc/86/10/63/603861063.db2.gz RZIALDVIPPXHKJ-MXWKQRLJSA-N -1 0 353.379 -0.230 20 0 FBADRM CCCc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])CCO2)n[nH]1 ZINC000826954585 603861409 /nfs/dbraw/zinc/86/14/09/603861409.db2.gz RZIALDVIPPXHKJ-VWYCJHECSA-N -1 0 353.379 -0.230 20 0 FBADRM CCCc1nc(CN2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)no1 ZINC000826954879 603918070 /nfs/dbraw/zinc/91/80/70/603918070.db2.gz VSYFIQRMCGZPNR-UHFFFAOYSA-N -1 0 373.435 -0.168 20 0 FBADRM CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)C1=O ZINC000826955984 601879292 /nfs/dbraw/zinc/87/92/92/601879292.db2.gz AUMHVXSROYNLFJ-GFCCVEGCSA-N -1 0 361.354 -0.096 20 0 FBADRM CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)C1=O ZINC000826955985 601879407 /nfs/dbraw/zinc/87/94/07/601879407.db2.gz AUMHVXSROYNLFJ-LBPRGKRZSA-N -1 0 361.354 -0.096 20 0 FBADRM CC(C)N1C(=O)N[C@]2(CCN(CC(=O)N3CCC(C(=O)[O-])CC3)C2)C1=O ZINC000826956061 601027318 /nfs/dbraw/zinc/02/73/18/601027318.db2.gz FNVPPUDPBIOZNW-KRWDZBQOSA-N -1 0 366.418 -0.286 20 0 FBADRM CC(C)N1C(=O)N[C@@]2(CCN(CC(=O)N3CCC(C(=O)[O-])CC3)C2)C1=O ZINC000826956062 601027144 /nfs/dbraw/zinc/02/71/44/601027144.db2.gz FNVPPUDPBIOZNW-QGZVFWFLSA-N -1 0 366.418 -0.286 20 0 FBADRM CC(C)N1C(=O)CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1(C)C ZINC000826956205 600789531 /nfs/dbraw/zinc/78/95/31/600789531.db2.gz HRHVCGNSKXZIHA-UHFFFAOYSA-N -1 0 358.420 -0.012 20 0 FBADRM CCCn1cc(NC(=O)C(=O)NCCN2CCN(C(=O)[O-])CC2)cn1 ZINC000826958286 604907320 /nfs/dbraw/zinc/90/73/20/604907320.db2.gz DMUVHYQIOLXPBB-UHFFFAOYSA-N -1 0 352.395 -0.357 20 0 FBADRM CCCC1N=NC(=S)N1CC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000826958600 604398870 /nfs/dbraw/zinc/39/88/70/604398870.db2.gz IBAPWZBAYKPOFF-JTQLQIEISA-N -1 0 356.452 -0.071 20 0 FBADRM CCCC1N=NC(=S)N1CC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000826958601 604398662 /nfs/dbraw/zinc/39/86/62/604398662.db2.gz IBAPWZBAYKPOFF-SNVBAGLBSA-N -1 0 356.452 -0.071 20 0 FBADRM CCCn1cc(NC(=O)C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)cn1 ZINC000826959172 604911654 /nfs/dbraw/zinc/91/16/54/604911654.db2.gz NJYWNIZCHVWFIS-UHFFFAOYSA-N -1 0 366.378 -0.830 20 0 FBADRM CCCc1noc(CN2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)n1 ZINC000826959906 603918226 /nfs/dbraw/zinc/91/82/26/603918226.db2.gz WUIHXIIINVBYFA-UHFFFAOYSA-N -1 0 373.435 -0.168 20 0 FBADRM CCN1C(=S)N=NC1CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000826962757 661115489 /nfs/dbraw/zinc/11/54/89/661115489.db2.gz OMRUURGTWQTGKM-UHFFFAOYSA-N -1 0 371.444 -0.088 20 0 FBADRM CCN(C(=O)[C@H](C)OC(=O)C[C@H](C)NC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000826969424 603981687 /nfs/dbraw/zinc/98/16/87/603981687.db2.gz CYRNWINZOGZGCZ-DCAQKATOSA-N -1 0 364.420 0.000 20 0 FBADRM CCN(C(=O)[C@H](C)OC(=O)C[C@H](C)NC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000826969425 603981890 /nfs/dbraw/zinc/98/18/90/603981890.db2.gz CYRNWINZOGZGCZ-GARJFASQSA-N -1 0 364.420 0.000 20 0 FBADRM CCN(C(=O)[C@H](C)OC(=O)C[C@@H](C)NC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000826969426 603981866 /nfs/dbraw/zinc/98/18/66/603981866.db2.gz CYRNWINZOGZGCZ-OUAUKWLOSA-N -1 0 364.420 0.000 20 0 FBADRM CCN(C(=O)[C@H](C)OC(=O)C[C@@H](C)NC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000826969427 603981767 /nfs/dbraw/zinc/98/17/67/603981767.db2.gz CYRNWINZOGZGCZ-VWYCJHECSA-N -1 0 364.420 0.000 20 0 FBADRM CCN(C(=O)[C@@H](C)OC(=O)C1(NC(=O)[O-])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000826969580 604753613 /nfs/dbraw/zinc/75/36/13/604753613.db2.gz GGCUHSAUNDXKSI-NXEZZACHSA-N -1 0 362.404 -0.246 20 0 FBADRM CCN(C(=O)[C@H](C)OC(=O)C1(NC(=O)[O-])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000826969581 604753637 /nfs/dbraw/zinc/75/36/37/604753637.db2.gz GGCUHSAUNDXKSI-UWVGGRQHSA-N -1 0 362.404 -0.246 20 0 FBADRM CCN(C(=O)[C@H](C)OC(=O)C1(NC(=O)[O-])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000826969582 604753536 /nfs/dbraw/zinc/75/35/36/604753536.db2.gz GGCUHSAUNDXKSI-VHSXEESVSA-N -1 0 362.404 -0.246 20 0 FBADRM CCN(C(=O)[C@@H](C)OC(=O)C1(NC(=O)[O-])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000826969583 604753490 /nfs/dbraw/zinc/75/34/90/604753490.db2.gz GGCUHSAUNDXKSI-ZJUUUORDSA-N -1 0 362.404 -0.246 20 0 FBADRM CCN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1CN(C(=O)[O-])C1 ZINC000826970197 604625979 /nfs/dbraw/zinc/62/59/79/604625979.db2.gz OSNGEAWGVRWNPA-UHFFFAOYSA-N -1 0 354.388 -0.305 20 0 FBADRM CC(C)NC(=O)CN1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC000826971199 601505624 /nfs/dbraw/zinc/50/56/24/601505624.db2.gz HUCPVIDHRRFRDK-UHFFFAOYSA-N -1 0 361.464 -0.287 20 0 FBADRM CC(C)NC(=O)CN(C)CC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000826971261 604419610 /nfs/dbraw/zinc/41/96/10/604419610.db2.gz JLRHUQYCQUYUHQ-UHFFFAOYSA-N -1 0 364.402 -0.104 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC000826971671 601056165 /nfs/dbraw/zinc/05/61/65/601056165.db2.gz NTWUCKOTQBULOZ-UHFFFAOYSA-N -1 0 366.378 -0.832 20 0 FBADRM CCN(C(=O)C1CCN(c2ccc3nnnn3n2)CC1)C1CN(C(=O)[O-])C1 ZINC000826971677 604627288 /nfs/dbraw/zinc/62/72/88/604627288.db2.gz YAYFQJHGYXLMMB-UHFFFAOYSA-N -1 0 374.405 -0.054 20 0 FBADRM CC(C)NC(=O)CN1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC000826971750 601065756 /nfs/dbraw/zinc/06/57/56/601065756.db2.gz OKVMBLRTNREQOY-UHFFFAOYSA-N -1 0 352.395 -0.358 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1 ZINC000826971758 602357737 /nfs/dbraw/zinc/35/77/37/602357737.db2.gz OTSARGBAPUBPMB-UHFFFAOYSA-N -1 0 365.390 -0.076 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000826972026 600701649 /nfs/dbraw/zinc/70/16/49/600701649.db2.gz VWKQTWVYLIPKDY-UHFFFAOYSA-N -1 0 372.403 -0.930 20 0 FBADRM CC(C)NC(=O)CN1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000826972155 600693905 /nfs/dbraw/zinc/69/39/05/600693905.db2.gz YRZGYZMODJVTPY-UHFFFAOYSA-N -1 0 358.420 -0.456 20 0 FBADRM CC(C)NC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000826972197 600767188 /nfs/dbraw/zinc/76/71/88/600767188.db2.gz ZSESFOZLLQKTBK-UHFFFAOYSA-N -1 0 372.447 -0.446 20 0 FBADRM CCN(C(=O)COC(=O)C(C)(C)CNC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000826975465 603747765 /nfs/dbraw/zinc/74/77/65/603747765.db2.gz DILQBBNEJUZRLF-JTQLQIEISA-N -1 0 364.420 -0.141 20 0 FBADRM CCN(C(=O)COC(=O)C(C)(C)CNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000826975470 603747735 /nfs/dbraw/zinc/74/77/35/603747735.db2.gz DILQBBNEJUZRLF-SNVBAGLBSA-N -1 0 364.420 -0.141 20 0 FBADRM CCN(C(=O)COC(=O)[C@H](C)CN(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000826975636 604244618 /nfs/dbraw/zinc/24/46/18/604244618.db2.gz INDNADTXHNOTID-GHMZBOCLSA-N -1 0 364.420 -0.189 20 0 FBADRM CCN(C(=O)COC(=O)[C@H](C)CN(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000826975637 604244784 /nfs/dbraw/zinc/24/47/84/604244784.db2.gz INDNADTXHNOTID-MNOVXSKESA-N -1 0 364.420 -0.189 20 0 FBADRM CCN(C(=O)COC(=O)[C@@H](C)CN(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000826975638 604244669 /nfs/dbraw/zinc/24/46/69/604244669.db2.gz INDNADTXHNOTID-QWRGUYRKSA-N -1 0 364.420 -0.189 20 0 FBADRM CCN(C(=O)COC(=O)[C@@H](C)CN(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000826975639 604244763 /nfs/dbraw/zinc/24/47/63/604244763.db2.gz INDNADTXHNOTID-WDEREUQCSA-N -1 0 364.420 -0.189 20 0 FBADRM CCN(C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)C1CN(C(=O)[O-])C1 ZINC000826975688 604631327 /nfs/dbraw/zinc/63/13/27/604631327.db2.gz KLISFTVJFNZSPJ-UHFFFAOYSA-N -1 0 364.362 -0.495 20 0 FBADRM CCN(C(=O)COC(=O)CC1CN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000826979270 604097510 /nfs/dbraw/zinc/09/75/10/604097510.db2.gz DNBYLWBDWSQVAC-LLVKDONJSA-N -1 0 362.404 -0.435 20 0 FBADRM CCN(C(=O)COC(=O)CC1CN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000826979272 604097744 /nfs/dbraw/zinc/09/77/44/604097744.db2.gz DNBYLWBDWSQVAC-NSHDSACASA-N -1 0 362.404 -0.435 20 0 FBADRM CCN(C(=O)COC(=O)C[C@@H](C)NC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000826979384 603973335 /nfs/dbraw/zinc/97/33/35/603973335.db2.gz GJMFXOHRZNWBCH-NXEZZACHSA-N -1 0 350.393 -0.389 20 0 FBADRM CCN(C(=O)COC(=O)C[C@H](C)NC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000826979388 603973484 /nfs/dbraw/zinc/97/34/84/603973484.db2.gz GJMFXOHRZNWBCH-UWVGGRQHSA-N -1 0 350.393 -0.389 20 0 FBADRM CCN(C(=O)COC(=O)C[C@H](C)NC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000826979391 603973560 /nfs/dbraw/zinc/97/35/60/603973560.db2.gz GJMFXOHRZNWBCH-VHSXEESVSA-N -1 0 350.393 -0.389 20 0 FBADRM CCN(C(=O)COC(=O)C[C@@H](C)NC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000826979392 603973449 /nfs/dbraw/zinc/97/34/49/603973449.db2.gz GJMFXOHRZNWBCH-ZJUUUORDSA-N -1 0 350.393 -0.389 20 0 FBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NCCC(=O)[O-])c1 ZINC000826980089 602091767 /nfs/dbraw/zinc/09/17/67/602091767.db2.gz AAVBUFGJZFIQGT-UHFFFAOYSA-N -1 0 361.376 -0.551 20 0 FBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])c1 ZINC000826980339 602091819 /nfs/dbraw/zinc/09/18/19/602091819.db2.gz HWXGRIBGCNHPSE-MRVPVSSYSA-N -1 0 361.376 -0.553 20 0 FBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])c1 ZINC000826980340 602091853 /nfs/dbraw/zinc/09/18/53/602091853.db2.gz HWXGRIBGCNHPSE-QMMMGPOBSA-N -1 0 361.376 -0.553 20 0 FBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC000826980585 600887146 /nfs/dbraw/zinc/88/71/46/600887146.db2.gz RCDPJTHSQPXITO-LLVKDONJSA-N -1 0 372.403 -0.883 20 0 FBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC000826980586 600887267 /nfs/dbraw/zinc/88/72/67/600887267.db2.gz RCDPJTHSQPXITO-NSHDSACASA-N -1 0 372.403 -0.883 20 0 FBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c1 ZINC000826980598 600957685 /nfs/dbraw/zinc/95/76/85/600957685.db2.gz RVJGGTYUJZUPHN-UHFFFAOYSA-N -1 0 356.364 -0.301 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000826980620 604532262 /nfs/dbraw/zinc/53/22/62/604532262.db2.gz SJQNWLUZQCKBMZ-UHFFFAOYSA-N -1 0 363.417 -0.171 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC000826980622 600883555 /nfs/dbraw/zinc/88/35/55/600883555.db2.gz SOFJJNZJYNDQBU-UHFFFAOYSA-N -1 0 363.417 -0.171 20 0 FBADRM CC(C)NS(=O)(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000826980728 600776895 /nfs/dbraw/zinc/77/68/95/600776895.db2.gz UTORYYRJIPRFNU-UHFFFAOYSA-N -1 0 353.422 -0.671 20 0 FBADRM CCN(C)C(=O)CCN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000826982974 661115728 /nfs/dbraw/zinc/11/57/28/661115728.db2.gz AKOSQFHCBZAAOL-UHFFFAOYSA-N -1 0 362.452 -0.836 20 0 FBADRM CCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C1CN(C(=O)[O-])C1 ZINC000826983023 604629815 /nfs/dbraw/zinc/62/98/15/604629815.db2.gz BPRAUKCHJURZBC-UHFFFAOYSA-N -1 0 361.358 -0.544 20 0 FBADRM CCN(C)S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000826988664 603623856 /nfs/dbraw/zinc/62/38/56/603623856.db2.gz MTZNPQQORCERPG-GFCCVEGCSA-N -1 0 362.452 -0.283 20 0 FBADRM CCN(C)S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000826988665 603624024 /nfs/dbraw/zinc/62/40/24/603624024.db2.gz MTZNPQQORCERPG-LBPRGKRZSA-N -1 0 362.452 -0.283 20 0 FBADRM CC(C)OC(=O)CNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000826989520 601965473 /nfs/dbraw/zinc/96/54/73/601965473.db2.gz AFCKAYAMOYLOAJ-GFCCVEGCSA-N -1 0 350.327 -0.067 20 0 FBADRM CC(C)OC(=O)CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000826989524 601965559 /nfs/dbraw/zinc/96/55/59/601965559.db2.gz AFCKAYAMOYLOAJ-LBPRGKRZSA-N -1 0 350.327 -0.067 20 0 FBADRM CC(C)OC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000826990707 601140087 /nfs/dbraw/zinc/14/00/87/601140087.db2.gz XTIXCAMWCDWWJL-UHFFFAOYSA-N -1 0 365.342 -0.493 20 0 FBADRM CCN(C1CN(C(=O)[O-])C1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000826992468 604576460 /nfs/dbraw/zinc/57/64/60/604576460.db2.gz NYKFFNINORZNMO-UHFFFAOYSA-N -1 0 363.417 -0.293 20 0 FBADRM CCN(C1CN(C(=O)[O-])C1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000826992516 604576483 /nfs/dbraw/zinc/57/64/83/604576483.db2.gz PIAZREDJRVKSCI-UHFFFAOYSA-N -1 0 368.371 -0.411 20 0 FBADRM CCN(C1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1)S(C)(=O)=O ZINC000826992543 603766791 /nfs/dbraw/zinc/76/67/91/603766791.db2.gz PUJDGQDWANDBSH-UHFFFAOYSA-N -1 0 363.436 -0.362 20 0 FBADRM CCN(C1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1)S(C)(=O)=O ZINC000826992945 604860631 /nfs/dbraw/zinc/86/06/31/604860631.db2.gz YAFCDIAJLMONIC-GFCCVEGCSA-N -1 0 363.436 -0.362 20 0 FBADRM CCN(C1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1)S(C)(=O)=O ZINC000826992946 604860561 /nfs/dbraw/zinc/86/05/61/604860561.db2.gz YAFCDIAJLMONIC-LBPRGKRZSA-N -1 0 363.436 -0.362 20 0 FBADRM CCN(C1CN(C(=O)[O-])C1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000826992968 604576470 /nfs/dbraw/zinc/57/64/70/604576470.db2.gz YLJNDQJSPTXPJQ-UHFFFAOYSA-N -1 0 363.417 -0.293 20 0 FBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000826994711 604392717 /nfs/dbraw/zinc/39/27/17/604392717.db2.gz BTKSYORZKRIJTO-GFCCVEGCSA-N -1 0 371.415 -0.179 20 0 FBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000826994712 604392651 /nfs/dbraw/zinc/39/26/51/604392651.db2.gz BTKSYORZKRIJTO-LBPRGKRZSA-N -1 0 371.415 -0.179 20 0 FBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000826994924 604434379 /nfs/dbraw/zinc/43/43/79/604434379.db2.gz DYRTUMGZMIFDSQ-LLVKDONJSA-N -1 0 351.425 -0.762 20 0 FBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000826994925 604434299 /nfs/dbraw/zinc/43/42/99/604434299.db2.gz DYRTUMGZMIFDSQ-NSHDSACASA-N -1 0 351.425 -0.762 20 0 FBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000826995988 604438739 /nfs/dbraw/zinc/43/87/39/604438739.db2.gz QIHOUHNIFBVIHQ-GFCCVEGCSA-N -1 0 350.437 -0.005 20 0 FBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000826995989 604438694 /nfs/dbraw/zinc/43/86/94/604438694.db2.gz QIHOUHNIFBVIHQ-LBPRGKRZSA-N -1 0 350.437 -0.005 20 0 FBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000826996101 604430660 /nfs/dbraw/zinc/43/06/60/604430660.db2.gz RZJBEDONJMKBSD-GFCCVEGCSA-N -1 0 371.415 -0.179 20 0 FBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000826996102 604430655 /nfs/dbraw/zinc/43/06/55/604430655.db2.gz RZJBEDONJMKBSD-LBPRGKRZSA-N -1 0 371.415 -0.179 20 0 FBADRM CCN(CC(=O)N1CCN(S(=O)(=O)CCCOC)CC1)C(=O)[O-] ZINC000826996524 605224450 /nfs/dbraw/zinc/22/44/50/605224450.db2.gz BLKFOSDKINQVAP-UHFFFAOYSA-N -1 0 351.425 -0.503 20 0 FBADRM CCN(CC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)C(=O)[O-] ZINC000826997058 603072228 /nfs/dbraw/zinc/07/22/28/603072228.db2.gz SIZZJLAIMHBFQW-UHFFFAOYSA-N -1 0 360.392 -0.352 20 0 FBADRM CCN(CC(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1)C(=O)[O-] ZINC000826997140 604209359 /nfs/dbraw/zinc/20/93/59/604209359.db2.gz VJMUVNAUARTVQP-UHFFFAOYSA-N -1 0 365.452 -0.115 20 0 FBADRM CCN(CC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)C(=O)[O-] ZINC000826997389 605135867 /nfs/dbraw/zinc/13/58/67/605135867.db2.gz ZMVDQAZYNXMVKW-UHFFFAOYSA-N -1 0 373.435 -0.439 20 0 FBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CSCC(=O)N1CCOCC1 ZINC000827001575 604449538 /nfs/dbraw/zinc/44/95/38/604449538.db2.gz QQZFOLIUVMIRJJ-GFCCVEGCSA-N -1 0 362.448 -0.085 20 0 FBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CSCC(=O)N1CCOCC1 ZINC000827001577 604449648 /nfs/dbraw/zinc/44/96/48/604449648.db2.gz QQZFOLIUVMIRJJ-LBPRGKRZSA-N -1 0 362.448 -0.085 20 0 FBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C(C)(C)CNC(=O)[O-] ZINC000827001836 603623319 /nfs/dbraw/zinc/62/33/19/603623319.db2.gz DRSIDHMMKKTZAB-JTQLQIEISA-N -1 0 363.436 -0.568 20 0 FBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C(C)(C)CNC(=O)[O-] ZINC000827001838 603623258 /nfs/dbraw/zinc/62/32/58/603623258.db2.gz DRSIDHMMKKTZAB-SNVBAGLBSA-N -1 0 363.436 -0.568 20 0 FBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000827001890 604435560 /nfs/dbraw/zinc/43/55/60/604435560.db2.gz SIZKIUYBQHTKME-JTQLQIEISA-N -1 0 362.408 -0.965 20 0 FBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000827001893 604435489 /nfs/dbraw/zinc/43/54/89/604435489.db2.gz SIZKIUYBQHTKME-SNVBAGLBSA-N -1 0 362.408 -0.965 20 0 FBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000827001948 604443328 /nfs/dbraw/zinc/44/33/28/604443328.db2.gz SVAAFSKJUKBFML-DGMVEKRQSA-N -1 0 353.375 -0.566 20 0 FBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000827001952 604443429 /nfs/dbraw/zinc/44/34/29/604443429.db2.gz SVAAFSKJUKBFML-NNNHXZLVSA-N -1 0 353.375 -0.566 20 0 FBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000827001954 604443452 /nfs/dbraw/zinc/44/34/52/604443452.db2.gz SVAAFSKJUKBFML-SYTKJHMZSA-N -1 0 353.375 -0.566 20 0 FBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000827001956 604443408 /nfs/dbraw/zinc/44/34/08/604443408.db2.gz SVAAFSKJUKBFML-ZHRWSRJISA-N -1 0 353.375 -0.566 20 0 FBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CC1CN(C(=O)[O-])C1 ZINC000827001957 603645365 /nfs/dbraw/zinc/64/53/65/603645365.db2.gz GPAQZOASJKNEQA-LLVKDONJSA-N -1 0 361.420 -0.862 20 0 FBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CC1CN(C(=O)[O-])C1 ZINC000827001961 603645070 /nfs/dbraw/zinc/64/50/70/603645070.db2.gz GPAQZOASJKNEQA-NSHDSACASA-N -1 0 361.420 -0.862 20 0 FBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000827002191 604440193 /nfs/dbraw/zinc/44/01/93/604440193.db2.gz WNDLQEKRXDZIMZ-LLVKDONJSA-N -1 0 362.408 -0.743 20 0 FBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000827002192 604440120 /nfs/dbraw/zinc/44/01/20/604440120.db2.gz WNDLQEKRXDZIMZ-NSHDSACASA-N -1 0 362.408 -0.743 20 0 FBADRM CCN(CC(=O)NC(C)C)C(=O)CN1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827002208 604634962 /nfs/dbraw/zinc/63/49/62/604634962.db2.gz JFJLXGSQYZKRAH-CHWSQXEVSA-N -1 0 358.439 -0.284 20 0 FBADRM CCN(CC(=O)NC(C)C)C(=O)CN1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827002209 604635074 /nfs/dbraw/zinc/63/50/74/604635074.db2.gz JFJLXGSQYZKRAH-OLZOCXBDSA-N -1 0 358.439 -0.284 20 0 FBADRM CCN(CC(=O)NC(C)C)C(=O)CN1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000827002210 604635429 /nfs/dbraw/zinc/63/54/29/604635429.db2.gz JFJLXGSQYZKRAH-QWHCGFSZSA-N -1 0 358.439 -0.284 20 0 FBADRM CCN(CC(=O)NC(C)C)C(=O)CN1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000827002211 604635085 /nfs/dbraw/zinc/63/50/85/604635085.db2.gz JFJLXGSQYZKRAH-STQMWFEESA-N -1 0 358.439 -0.284 20 0 FBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000827002313 604439968 /nfs/dbraw/zinc/43/99/68/604439968.db2.gz WVBXWKSCSIUXSR-LLVKDONJSA-N -1 0 362.408 -0.965 20 0 FBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000827002314 604440135 /nfs/dbraw/zinc/44/01/35/604440135.db2.gz WVBXWKSCSIUXSR-NSHDSACASA-N -1 0 362.408 -0.965 20 0 FBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000827002624 604081185 /nfs/dbraw/zinc/08/11/85/604081185.db2.gz OEKLMHLGMYXUOF-GHMZBOCLSA-N -1 0 363.436 -0.616 20 0 FBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000827002625 604081150 /nfs/dbraw/zinc/08/11/50/604081150.db2.gz OEKLMHLGMYXUOF-MNOVXSKESA-N -1 0 363.436 -0.616 20 0 FBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000827002626 604080932 /nfs/dbraw/zinc/08/09/32/604080932.db2.gz OEKLMHLGMYXUOF-QWRGUYRKSA-N -1 0 363.436 -0.616 20 0 FBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000827002627 604081191 /nfs/dbraw/zinc/08/11/91/604081191.db2.gz OEKLMHLGMYXUOF-WDEREUQCSA-N -1 0 363.436 -0.616 20 0 FBADRM CCN(CC(=O)NC(C)C)C(=O)COC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000827002747 603905384 /nfs/dbraw/zinc/90/53/84/603905384.db2.gz ROWVUAFLLGGGGS-LLVKDONJSA-N -1 0 359.379 -0.719 20 0 FBADRM CCN(CC(=O)NC(C)C)C(=O)COC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000827002748 603905527 /nfs/dbraw/zinc/90/55/27/603905527.db2.gz ROWVUAFLLGGGGS-NSHDSACASA-N -1 0 359.379 -0.719 20 0 FBADRM CCN(CC(=O)NC(C)C)C(=O)COC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000827002801 605216022 /nfs/dbraw/zinc/21/60/22/605216022.db2.gz SVSLOZNAYIKPSQ-LLVKDONJSA-N -1 0 359.379 -0.719 20 0 FBADRM CCN(CC(=O)NC(C)C)C(=O)COC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827002802 605215608 /nfs/dbraw/zinc/21/56/08/605215608.db2.gz SVSLOZNAYIKPSQ-NSHDSACASA-N -1 0 359.379 -0.719 20 0 FBADRM CCN(CC(=O)NC(C)C)C(=O)COC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000827002941 603794764 /nfs/dbraw/zinc/79/47/64/603794764.db2.gz XMBRVULJKMVFEP-HNNXBMFYSA-N -1 0 361.370 -0.005 20 0 FBADRM CCN(CC(=O)NC(C)C)C(=O)COC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000827002942 603794726 /nfs/dbraw/zinc/79/47/26/603794726.db2.gz XMBRVULJKMVFEP-OAHLLOKOSA-N -1 0 361.370 -0.005 20 0 FBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000827007163 604428984 /nfs/dbraw/zinc/42/89/84/604428984.db2.gz UMTZPGUDSQBDQS-LLVKDONJSA-N -1 0 351.363 -0.533 20 0 FBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000827007164 604429041 /nfs/dbraw/zinc/42/90/41/604429041.db2.gz UMTZPGUDSQBDQS-NSHDSACASA-N -1 0 351.363 -0.533 20 0 FBADRM CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CN(C(=O)[O-])C1 ZINC000827009124 604557860 /nfs/dbraw/zinc/55/78/60/604557860.db2.gz DNMHCUPNHJCDRD-UHFFFAOYSA-N -1 0 356.404 -0.043 20 0 FBADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000827010730 604452066 /nfs/dbraw/zinc/45/20/66/604452066.db2.gz KCBSLXXMPCQNGE-LLVKDONJSA-N -1 0 364.358 -0.016 20 0 FBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000827010731 604452198 /nfs/dbraw/zinc/45/21/98/604452198.db2.gz KCBSLXXMPCQNGE-NSHDSACASA-N -1 0 364.358 -0.016 20 0 FBADRM CCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)C1CN(C(=O)[O-])C1 ZINC000827014828 604558620 /nfs/dbraw/zinc/55/86/20/604558620.db2.gz VNOWTOXRAIUVAX-UHFFFAOYSA-N -1 0 356.404 -0.043 20 0 FBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000827015250 604517561 /nfs/dbraw/zinc/51/75/61/604517561.db2.gz BDBDSQIHTRJBRG-AWEZNQCLSA-N -1 0 365.434 -0.065 20 0 FBADRM CC(C)OC[C@H](C(=O)[O-])N(C)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000827015251 604517618 /nfs/dbraw/zinc/51/76/18/604517618.db2.gz BDBDSQIHTRJBRG-CQSZACIVSA-N -1 0 365.434 -0.065 20 0 FBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000827016187 604401442 /nfs/dbraw/zinc/40/14/42/604401442.db2.gz LYVUSZYDGLDEPW-AWEZNQCLSA-N -1 0 372.466 -0.971 20 0 FBADRM CC(C)OC[C@H](C(=O)[O-])N(C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000827016188 604401454 /nfs/dbraw/zinc/40/14/54/604401454.db2.gz LYVUSZYDGLDEPW-CQSZACIVSA-N -1 0 372.466 -0.971 20 0 FBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000827016571 604515259 /nfs/dbraw/zinc/51/52/59/604515259.db2.gz PVDUDRDFQLHGLL-JTQLQIEISA-N -1 0 368.390 -0.141 20 0 FBADRM CC(C)OC[C@H](C(=O)[O-])N(C)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000827016572 604515184 /nfs/dbraw/zinc/51/51/84/604515184.db2.gz PVDUDRDFQLHGLL-SNVBAGLBSA-N -1 0 368.390 -0.141 20 0 FBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000827016587 604404565 /nfs/dbraw/zinc/40/45/65/604404565.db2.gz QAHIAPPXJSQMGD-AWEZNQCLSA-N -1 0 355.435 -0.123 20 0 FBADRM CC(C)OC[C@H](C(=O)[O-])N(C)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000827016588 604404458 /nfs/dbraw/zinc/40/44/58/604404458.db2.gz QAHIAPPXJSQMGD-CQSZACIVSA-N -1 0 355.435 -0.123 20 0 FBADRM CCN(CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O)C1CN(C(=O)[O-])C1 ZINC000827020426 604559324 /nfs/dbraw/zinc/55/93/24/604559324.db2.gz SXQKICPQKVLACM-UHFFFAOYSA-N -1 0 369.378 -0.956 20 0 FBADRM CCN(CC)C(=O)CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000827024685 604098899 /nfs/dbraw/zinc/09/88/99/604098899.db2.gz KKQGVTBHNFVSSV-UHFFFAOYSA-N -1 0 362.452 -0.836 20 0 FBADRM CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827024821 604906317 /nfs/dbraw/zinc/90/63/17/604906317.db2.gz LHNLJCAKUWNWRK-AWEZNQCLSA-N -1 0 370.450 -0.232 20 0 FBADRM CCN(CC)C(=O)CN1CCCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827024824 604905650 /nfs/dbraw/zinc/90/56/50/604905650.db2.gz LHNLJCAKUWNWRK-CQSZACIVSA-N -1 0 370.450 -0.232 20 0 FBADRM CCN(CC)C(=O)CN1CCCN(C(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000827025479 604622596 /nfs/dbraw/zinc/62/25/96/604622596.db2.gz SJTNFFNYQRHVJV-UHFFFAOYSA-N -1 0 355.439 -0.066 20 0 FBADRM CCN(CC)C(=O)CN1CCCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000827025854 603745515 /nfs/dbraw/zinc/74/55/15/603745515.db2.gz WFSBYFMVRPRMDA-UHFFFAOYSA-N -1 0 370.450 -0.232 20 0 FBADRM CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000827026152 603789982 /nfs/dbraw/zinc/78/99/82/603789982.db2.gz YFFMZBGFNQXWQG-KBPBESRZSA-N -1 0 370.450 -0.498 20 0 FBADRM CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000827026157 603790234 /nfs/dbraw/zinc/79/02/34/603790234.db2.gz YFFMZBGFNQXWQG-KGLIPLIRSA-N -1 0 370.450 -0.498 20 0 FBADRM CCN(CC)C(=O)CN1CCCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000827026160 603790283 /nfs/dbraw/zinc/79/02/83/603790283.db2.gz YFFMZBGFNQXWQG-UONOGXRCSA-N -1 0 370.450 -0.498 20 0 FBADRM CCN(CC)C(=O)CN1CCCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000827026162 603790113 /nfs/dbraw/zinc/79/01/13/603790113.db2.gz YFFMZBGFNQXWQG-ZIAGYGMSSA-N -1 0 370.450 -0.498 20 0 FBADRM CCN(CC)C(=O)CCC(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000827026279 604174293 /nfs/dbraw/zinc/17/42/93/604174293.db2.gz ZGDZTZHPPNXBAH-UHFFFAOYSA-N -1 0 356.423 -0.084 20 0 FBADRM CCN(CC)C(=O)CN1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827029128 604665487 /nfs/dbraw/zinc/66/54/87/604665487.db2.gz CRTBPYULIHGTMW-AWEZNQCLSA-N -1 0 370.450 -0.232 20 0 FBADRM CCN(CC)C(=O)CN1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827029129 604665572 /nfs/dbraw/zinc/66/55/72/604665572.db2.gz CRTBPYULIHGTMW-CQSZACIVSA-N -1 0 370.450 -0.232 20 0 FBADRM CCN(CC)C(=O)CN1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000827029223 603741804 /nfs/dbraw/zinc/74/18/04/603741804.db2.gz FWYUPMYTHJJUFD-UHFFFAOYSA-N -1 0 356.423 -0.622 20 0 FBADRM CCN(CC)C(=O)CN1CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000827029384 604127028 /nfs/dbraw/zinc/12/70/28/604127028.db2.gz KORRHXLHBIDKPJ-CYBMUJFWSA-N -1 0 355.439 -0.066 20 0 FBADRM CCN(CC)C(=O)CN1CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000827029385 604127216 /nfs/dbraw/zinc/12/72/16/604127216.db2.gz KORRHXLHBIDKPJ-ZDUSSCGKSA-N -1 0 355.439 -0.066 20 0 FBADRM CCN(CC)C(=O)CN1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827029474 604665645 /nfs/dbraw/zinc/66/56/45/604665645.db2.gz MSLZKXPZDWBNNT-CYBMUJFWSA-N -1 0 356.423 -0.622 20 0 FBADRM CCN(CC)C(=O)CN1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827029475 604665430 /nfs/dbraw/zinc/66/54/30/604665430.db2.gz MSLZKXPZDWBNNT-ZDUSSCGKSA-N -1 0 356.423 -0.622 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCN(Cn2cc(C(=O)[O-])nn2)CC1 ZINC000827030466 661115768 /nfs/dbraw/zinc/11/57/68/661115768.db2.gz GPPBPYCGZAEOMJ-UHFFFAOYSA-N -1 0 361.424 -0.694 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@H](C)CC(=O)[O-])CC1 ZINC000827030612 602180579 /nfs/dbraw/zinc/18/05/79/602180579.db2.gz JQMVDJYBRZYYOH-GFCCVEGCSA-N -1 0 350.437 -0.004 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@@H](C)CC(=O)[O-])CC1 ZINC000827030614 602180695 /nfs/dbraw/zinc/18/06/95/602180695.db2.gz JQMVDJYBRZYYOH-LBPRGKRZSA-N -1 0 350.437 -0.004 20 0 FBADRM CC(C)OCCS(=O)(=O)N1CCN(Cn2cnc(C(=O)[O-])n2)CC1 ZINC000827030643 661115776 /nfs/dbraw/zinc/11/57/76/661115776.db2.gz KJDWYFHTRUALBA-UHFFFAOYSA-N -1 0 361.424 -0.694 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c1ccccn1 ZINC000827030766 601373528 /nfs/dbraw/zinc/37/35/28/601373528.db2.gz LMRZEFXMLYLNAX-CYBMUJFWSA-N -1 0 359.404 -0.332 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccn1 ZINC000827030768 601373360 /nfs/dbraw/zinc/37/33/60/601373360.db2.gz LMRZEFXMLYLNAX-ZDUSSCGKSA-N -1 0 359.404 -0.332 20 0 FBADRM CC(C)OCCN1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000827031321 600865980 /nfs/dbraw/zinc/86/59/80/600865980.db2.gz ZZZQQKWKQFRIPZ-UHFFFAOYSA-N -1 0 360.436 -0.301 20 0 FBADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NCCS(N)(=O)=O ZINC000827042248 601140072 /nfs/dbraw/zinc/14/00/72/601140072.db2.gz OBBKJFBSQKGZHM-UHFFFAOYSA-N -1 0 373.387 -0.485 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000827044729 603753585 /nfs/dbraw/zinc/75/35/85/603753585.db2.gz BXZDBFBLXAMOPR-UHFFFAOYSA-N -1 0 364.468 -0.588 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)C[C@@H](C)NC(=O)[O-])CC1 ZINC000827045321 603264946 /nfs/dbraw/zinc/26/49/46/603264946.db2.gz GVJUJRRYJQHSKS-LLVKDONJSA-N -1 0 350.441 -0.237 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)C[C@H](C)NC(=O)[O-])CC1 ZINC000827045325 603264948 /nfs/dbraw/zinc/26/49/48/603264948.db2.gz GVJUJRRYJQHSKS-NSHDSACASA-N -1 0 350.441 -0.237 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000827045825 604406987 /nfs/dbraw/zinc/40/69/87/604406987.db2.gz LZOKLXSCEMQVLD-LLVKDONJSA-N -1 0 350.441 -0.932 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000827045830 604406757 /nfs/dbraw/zinc/40/67/57/604406757.db2.gz LZOKLXSCEMQVLD-NSHDSACASA-N -1 0 350.441 -0.932 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000827046065 603640082 /nfs/dbraw/zinc/64/00/82/603640082.db2.gz OPMCQJJEGFPEQV-UHFFFAOYSA-N -1 0 362.452 -0.283 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000827046116 604605185 /nfs/dbraw/zinc/60/51/85/604605185.db2.gz PGNUWUSARQZRIR-UHFFFAOYSA-N -1 0 363.440 -0.738 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000827046125 603672517 /nfs/dbraw/zinc/67/25/17/603672517.db2.gz PIVMDMDUBLVBMZ-UHFFFAOYSA-N -1 0 350.441 -0.930 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@H](C)CN(C)C(=O)[O-])CC1 ZINC000827046628 604073174 /nfs/dbraw/zinc/07/31/74/604073174.db2.gz XQHYEOZJKAZAPE-GFCCVEGCSA-N -1 0 364.468 -0.037 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@H](C)CN(C)C(=O)[O-])CC1 ZINC000827046629 604073231 /nfs/dbraw/zinc/07/32/31/604073231.db2.gz XQHYEOZJKAZAPE-LBPRGKRZSA-N -1 0 364.468 -0.037 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827046729 604731737 /nfs/dbraw/zinc/73/17/37/604731737.db2.gz ZQEGWYBBYZOKPU-GHMZBOCLSA-N -1 0 351.425 -0.459 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827046730 604731867 /nfs/dbraw/zinc/73/18/67/604731867.db2.gz ZQEGWYBBYZOKPU-MNOVXSKESA-N -1 0 351.425 -0.459 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000827046731 604731771 /nfs/dbraw/zinc/73/17/71/604731771.db2.gz ZQEGWYBBYZOKPU-QWRGUYRKSA-N -1 0 351.425 -0.459 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000827046733 604731725 /nfs/dbraw/zinc/73/17/25/604731725.db2.gz ZQEGWYBBYZOKPU-WDEREUQCSA-N -1 0 351.425 -0.459 20 0 FBADRM CCN(CC1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1)C(=O)[O-] ZINC000827059011 603751509 /nfs/dbraw/zinc/75/15/09/603751509.db2.gz DUHXFIYOWSVEBE-UHFFFAOYSA-N -1 0 354.363 -0.355 20 0 FBADRM CCN(CC1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1)C(=O)[O-] ZINC000827059451 603745130 /nfs/dbraw/zinc/74/51/30/603745130.db2.gz NDKNTZTZTKPGFT-UHFFFAOYSA-N -1 0 361.464 -0.045 20 0 FBADRM CCN(CC1CCN(C(=O)CN2CCN(CC)C(=O)C2=O)CC1)C(=O)[O-] ZINC000827059563 603743582 /nfs/dbraw/zinc/74/35/82/603743582.db2.gz PKDJVOOTKNZVBM-UHFFFAOYSA-N -1 0 368.434 -0.084 20 0 FBADRM CCN(CC1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1)C(=O)[O-] ZINC000827065725 603751650 /nfs/dbraw/zinc/75/16/50/603751650.db2.gz IHEKWCYBIUQGOA-UHFFFAOYSA-N -1 0 352.391 -0.215 20 0 FBADRM CCN(CC1CCN(C(=O)NCCNS(C)(=O)=O)CC1)C(=O)[O-] ZINC000827069822 603928951 /nfs/dbraw/zinc/92/89/51/603928951.db2.gz FOFIXYCUXDZGCG-UHFFFAOYSA-N -1 0 350.441 -0.043 20 0 FBADRM CCN(CC1CCN(C(=O)NCCN2C(=O)CNC2=O)CC1)C(=O)[O-] ZINC000827070584 604135098 /nfs/dbraw/zinc/13/50/98/604135098.db2.gz NNQRDNMMYCWCMP-UHFFFAOYSA-N -1 0 355.395 -0.040 20 0 FBADRM CC(C)[C@@H](CO)NC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000827076636 601454065 /nfs/dbraw/zinc/45/40/65/601454065.db2.gz BMGPWYZGKTZLKK-CYBMUJFWSA-N -1 0 365.386 -0.499 20 0 FBADRM CC(C)[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000827076715 601454227 /nfs/dbraw/zinc/45/42/27/601454227.db2.gz GAIAJRKKRSKKMM-CYBMUJFWSA-N -1 0 365.386 -0.037 20 0 FBADRM CC(C)[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000827076784 601454104 /nfs/dbraw/zinc/45/41/04/601454104.db2.gz HLUSMSVFULIDAS-GFCCVEGCSA-N -1 0 351.359 -0.427 20 0 FBADRM CCN(CC1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1)C(=O)[O-] ZINC000827083589 603750091 /nfs/dbraw/zinc/75/00/91/603750091.db2.gz DYGBTGJNHLOYEO-UHFFFAOYSA-N -1 0 352.391 -0.064 20 0 FBADRM CC(C)[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(=O)N1CCCC1 ZINC000827097687 661116822 /nfs/dbraw/zinc/11/68/22/661116822.db2.gz ZCXBHHRHCSZYRH-ZDUSSCGKSA-N -1 0 358.420 -0.107 20 0 FBADRM CCN(CCCNC(=O)CN1CCC(NC(=O)[O-])CC1)S(C)(=O)=O ZINC000827116708 605655769 /nfs/dbraw/zinc/65/57/69/605655769.db2.gz OINHMUGVGHJIJC-UHFFFAOYSA-N -1 0 364.468 -0.494 20 0 FBADRM CCN(CCCNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)S(C)(=O)=O ZINC000827116809 605270135 /nfs/dbraw/zinc/27/01/35/605270135.db2.gz PTKGVLJQMDRAOJ-GFCCVEGCSA-N -1 0 365.452 -0.067 20 0 FBADRM CCN(CCCNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1)S(C)(=O)=O ZINC000827116812 605270316 /nfs/dbraw/zinc/27/03/16/605270316.db2.gz PTKGVLJQMDRAOJ-LBPRGKRZSA-N -1 0 365.452 -0.067 20 0 FBADRM CCN(CCCNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)S(C)(=O)=O ZINC000827117229 604732778 /nfs/dbraw/zinc/73/27/78/604732778.db2.gz VORZZGWCLYNQIP-LLVKDONJSA-N -1 0 351.425 -0.457 20 0 FBADRM CCN(CCCNC(=O)C[C@H]1CN(C(=O)[O-])CCO1)S(C)(=O)=O ZINC000827117230 604732882 /nfs/dbraw/zinc/73/28/82/604732882.db2.gz VORZZGWCLYNQIP-NSHDSACASA-N -1 0 351.425 -0.457 20 0 FBADRM CCN(CCCNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC000827117256 604214848 /nfs/dbraw/zinc/21/48/48/604214848.db2.gz WCLLZJBSMROCBT-JTQLQIEISA-N -1 0 361.424 -0.407 20 0 FBADRM CCN(CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC000827117257 604214798 /nfs/dbraw/zinc/21/47/98/604214798.db2.gz WCLLZJBSMROCBT-SNVBAGLBSA-N -1 0 361.424 -0.407 20 0 FBADRM CCN(CCCNC(=O)CN1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000827117449 604365691 /nfs/dbraw/zinc/36/56/91/604365691.db2.gz YLUJHLRQRDGFDI-UHFFFAOYSA-N -1 0 350.441 -0.930 20 0 FBADRM CCN(CCNC(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1)C(=O)[O-] ZINC000827134454 604911628 /nfs/dbraw/zinc/91/16/28/604911628.db2.gz APMCDHMREMXOCU-UHFFFAOYSA-N -1 0 353.335 -0.756 20 0 FBADRM CCN(CCNC(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1)C(=O)[O-] ZINC000827134979 604147331 /nfs/dbraw/zinc/14/73/31/604147331.db2.gz RJYOFBNVFNBUDF-UHFFFAOYSA-N -1 0 351.363 -0.162 20 0 FBADRM CCN(CCNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)C(=O)[O-] ZINC000827135085 603776092 /nfs/dbraw/zinc/77/60/92/603776092.db2.gz WNVFMVRBCJWHKE-UHFFFAOYSA-N -1 0 354.367 -0.974 20 0 FBADRM CCN(CCNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)C(=O)[O-] ZINC000827135200 604147395 /nfs/dbraw/zinc/14/73/95/604147395.db2.gz ZQYBXDPHPFIYIK-UHFFFAOYSA-N -1 0 354.367 -0.974 20 0 FBADRM CCN(CCNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@H]1C)C(=O)[O-] ZINC000827140738 603650224 /nfs/dbraw/zinc/65/02/24/603650224.db2.gz CYHBJHRDHBRVDW-GHMZBOCLSA-N -1 0 350.441 -0.045 20 0 FBADRM CCN(CCNC(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@H]1C)C(=O)[O-] ZINC000827140740 603650286 /nfs/dbraw/zinc/65/02/86/603650286.db2.gz CYHBJHRDHBRVDW-MNOVXSKESA-N -1 0 350.441 -0.045 20 0 FBADRM CCN(CCNC(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@@H]1C)C(=O)[O-] ZINC000827140742 603650119 /nfs/dbraw/zinc/65/01/19/603650119.db2.gz CYHBJHRDHBRVDW-QWRGUYRKSA-N -1 0 350.441 -0.045 20 0 FBADRM CCN(CCNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C)C(=O)[O-] ZINC000827140744 603650058 /nfs/dbraw/zinc/65/00/58/603650058.db2.gz CYHBJHRDHBRVDW-WDEREUQCSA-N -1 0 350.441 -0.045 20 0 FBADRM CCN(CCNC(=O)N1CCN(c2nccn(C)c2=O)CC1)C(=O)[O-] ZINC000827142177 604116087 /nfs/dbraw/zinc/11/60/87/604116087.db2.gz XWWDFZVQDFKGFO-UHFFFAOYSA-N -1 0 352.395 -0.388 20 0 FBADRM CCN(CCNC(=O)NCCNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000827145963 605524115 /nfs/dbraw/zinc/52/41/15/605524115.db2.gz JPVVLKHRMYAMDQ-UHFFFAOYSA-N -1 0 359.408 -0.341 20 0 FBADRM CCN(CCNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C(=O)[O-] ZINC000827146249 603561996 /nfs/dbraw/zinc/56/19/96/603561996.db2.gz NCBUHGJTGQGAON-UHFFFAOYSA-N -1 0 368.394 -0.137 20 0 FBADRM CCN(CCNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C(=O)[O-] ZINC000827150414 602821322 /nfs/dbraw/zinc/82/13/22/602821322.db2.gz GAJFNYAAIXHMDJ-UHFFFAOYSA-N -1 0 357.388 -0.325 20 0 FBADRM CC(C)c1nc(S(=O)(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)c[nH]1 ZINC000827152201 601807891 /nfs/dbraw/zinc/80/78/91/601807891.db2.gz CJYCEKJIVFAMSH-UHFFFAOYSA-N -1 0 365.433 -0.157 20 0 FBADRM CC(C)c1nc(S(=O)(=O)N(CCN2CCOCC2)CC(=O)[O-])c[nH]1 ZINC000827153746 601240967 /nfs/dbraw/zinc/24/09/67/601240967.db2.gz YAFURRPYOUAMKG-UHFFFAOYSA-N -1 0 360.436 -0.059 20 0 FBADRM CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)CC2 ZINC000827158513 600755086 /nfs/dbraw/zinc/75/50/86/600755086.db2.gz JLHGXGMBUYSBIR-JTQLQIEISA-N -1 0 368.419 -0.024 20 0 FBADRM CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)CC2 ZINC000827158514 600755041 /nfs/dbraw/zinc/75/50/41/600755041.db2.gz JLHGXGMBUYSBIR-SNVBAGLBSA-N -1 0 368.419 -0.024 20 0 FBADRM CCN(Cc1cccc(NC(=O)C(=O)NCCS(N)(=O)=O)c1)C(=O)[O-] ZINC000827167912 604175782 /nfs/dbraw/zinc/17/57/82/604175782.db2.gz QSPUOKRPWKMTML-UHFFFAOYSA-N -1 0 372.403 -0.470 20 0 FBADRM CC(C)c1nnc2n1CCN(S(=O)(=O)c1cnn(CC(=O)[O-])c1)C2 ZINC000827175361 661117358 /nfs/dbraw/zinc/11/73/58/661117358.db2.gz NMMGWMUUFPEBIZ-UHFFFAOYSA-N -1 0 354.392 -0.113 20 0 FBADRM CCN(Cc1ccccc1NC(=O)C(=O)NCCS(N)(=O)=O)C(=O)[O-] ZINC000827182868 604175734 /nfs/dbraw/zinc/17/57/34/604175734.db2.gz UTHVGFLBJPHDQM-UHFFFAOYSA-N -1 0 372.403 -0.470 20 0 FBADRM CC(C)n1cc(S(=O)(=O)N(CCN2CCOCC2)CC(=O)[O-])cn1 ZINC000827186290 600743289 /nfs/dbraw/zinc/74/32/89/600743289.db2.gz FMNMBCIYEPKYKE-UHFFFAOYSA-N -1 0 360.436 -0.129 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)N[C@@H]3CCCN(C(=O)[O-])C3)CCN2C1=O ZINC000827197525 603868685 /nfs/dbraw/zinc/86/86/85/603868685.db2.gz ALWUPRAGMFVFOG-GHMZBOCLSA-N -1 0 353.379 -0.193 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H]3CCCN(C(=O)[O-])C3)CCN2C1=O ZINC000827197526 603868570 /nfs/dbraw/zinc/86/85/70/603868570.db2.gz ALWUPRAGMFVFOG-MNOVXSKESA-N -1 0 353.379 -0.193 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)N[C@H]3CCCN(C(=O)[O-])C3)CCN2C1=O ZINC000827197527 603868902 /nfs/dbraw/zinc/86/89/02/603868902.db2.gz ALWUPRAGMFVFOG-QWRGUYRKSA-N -1 0 353.379 -0.193 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)N[C@H]3CCCN(C(=O)[O-])C3)CCN2C1=O ZINC000827197528 603868894 /nfs/dbraw/zinc/86/88/94/603868894.db2.gz ALWUPRAGMFVFOG-WDEREUQCSA-N -1 0 353.379 -0.193 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)N[C@H](CNC(=O)[O-])C3CC3)CCN2C1=O ZINC000827197547 603870878 /nfs/dbraw/zinc/87/08/78/603870878.db2.gz AUPNDTGCSIXKHO-GHMZBOCLSA-N -1 0 353.379 -0.290 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)N[C@H](CNC(=O)[O-])C3CC3)CCN2C1=O ZINC000827197548 603871243 /nfs/dbraw/zinc/87/12/43/603871243.db2.gz AUPNDTGCSIXKHO-MNOVXSKESA-N -1 0 353.379 -0.290 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H](CNC(=O)[O-])C3CC3)CCN2C1=O ZINC000827197549 603871279 /nfs/dbraw/zinc/87/12/79/603871279.db2.gz AUPNDTGCSIXKHO-QWRGUYRKSA-N -1 0 353.379 -0.290 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)N[C@@H](CNC(=O)[O-])C3CC3)CCN2C1=O ZINC000827197550 603871056 /nfs/dbraw/zinc/87/10/56/603871056.db2.gz AUPNDTGCSIXKHO-WDEREUQCSA-N -1 0 353.379 -0.290 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)[C@@H](CCSC)NC(=O)[O-])CCN2C1=O ZINC000827197748 603786908 /nfs/dbraw/zinc/78/69/08/603786908.db2.gz CJOQZWQELDYBOM-NXEZZACHSA-N -1 0 358.420 -0.129 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)[C@H](CCSC)NC(=O)[O-])CCN2C1=O ZINC000827197749 603827980 /nfs/dbraw/zinc/82/79/80/603827980.db2.gz CJOQZWQELDYBOM-UWVGGRQHSA-N -1 0 358.420 -0.129 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)[C@H](CCSC)NC(=O)[O-])CCN2C1=O ZINC000827197750 603828291 /nfs/dbraw/zinc/82/82/91/603828291.db2.gz CJOQZWQELDYBOM-VHSXEESVSA-N -1 0 358.420 -0.129 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)[C@@H](CCSC)NC(=O)[O-])CCN2C1=O ZINC000827197751 603786903 /nfs/dbraw/zinc/78/69/03/603786903.db2.gz CJOQZWQELDYBOM-ZJUUUORDSA-N -1 0 358.420 -0.129 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)NC3CCN(C(=O)[O-])CC3)CCN2C1=O ZINC000827198331 603830232 /nfs/dbraw/zinc/83/02/32/603830232.db2.gz HIRHLMKMORZTEG-LLVKDONJSA-N -1 0 353.379 -0.193 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)NC3CCN(C(=O)[O-])CC3)CCN2C1=O ZINC000827198332 603829982 /nfs/dbraw/zinc/82/99/82/603829982.db2.gz HIRHLMKMORZTEG-NSHDSACASA-N -1 0 353.379 -0.193 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)C[C@@H]3CSCCN3C(=O)[O-])CCN2C1=O ZINC000827198697 605672945 /nfs/dbraw/zinc/67/29/45/605672945.db2.gz JZGNUGMPYOENKC-GHMZBOCLSA-N -1 0 370.431 -0.033 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)C[C@@H]3CSCCN3C(=O)[O-])CCN2C1=O ZINC000827198698 605672966 /nfs/dbraw/zinc/67/29/66/605672966.db2.gz JZGNUGMPYOENKC-MNOVXSKESA-N -1 0 370.431 -0.033 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)C[C@H]3CSCCN3C(=O)[O-])CCN2C1=O ZINC000827198699 605673131 /nfs/dbraw/zinc/67/31/31/605673131.db2.gz JZGNUGMPYOENKC-QWRGUYRKSA-N -1 0 370.431 -0.033 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)C[C@H]3CSCCN3C(=O)[O-])CCN2C1=O ZINC000827198700 605673060 /nfs/dbraw/zinc/67/30/60/605673060.db2.gz JZGNUGMPYOENKC-WDEREUQCSA-N -1 0 370.431 -0.033 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)NC[C@H]3CCCN3C(=O)[O-])CCN2C1=O ZINC000827199175 603861860 /nfs/dbraw/zinc/86/18/60/603861860.db2.gz OBZYOOVARWLXMV-GHMZBOCLSA-N -1 0 353.379 -0.193 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H]3CCCN3C(=O)[O-])CCN2C1=O ZINC000827199177 603861956 /nfs/dbraw/zinc/86/19/56/603861956.db2.gz OBZYOOVARWLXMV-MNOVXSKESA-N -1 0 353.379 -0.193 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)NC[C@@H]3CCCN3C(=O)[O-])CCN2C1=O ZINC000827199179 603861536 /nfs/dbraw/zinc/86/15/36/603861536.db2.gz OBZYOOVARWLXMV-QWRGUYRKSA-N -1 0 353.379 -0.193 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)NC[C@@H]3CCCN3C(=O)[O-])CCN2C1=O ZINC000827199182 603861917 /nfs/dbraw/zinc/86/19/17/603861917.db2.gz OBZYOOVARWLXMV-WDEREUQCSA-N -1 0 353.379 -0.193 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)CO[C@@H]3CCCN(C(=O)[O-])C3)CCN2C1=O ZINC000827199615 605389391 /nfs/dbraw/zinc/38/93/91/605389391.db2.gz PLLJHBILMDQADF-NEPJUHHUSA-N -1 0 368.390 -0.360 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)CO[C@H]3CCCN(C(=O)[O-])C3)CCN2C1=O ZINC000827199621 605389799 /nfs/dbraw/zinc/38/97/99/605389799.db2.gz PLLJHBILMDQADF-NWDGAFQWSA-N -1 0 368.390 -0.360 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)CO[C@H]3CCCN(C(=O)[O-])C3)CCN2C1=O ZINC000827199623 605389363 /nfs/dbraw/zinc/38/93/63/605389363.db2.gz PLLJHBILMDQADF-RYUDHWBXSA-N -1 0 368.390 -0.360 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)CO[C@@H]3CCCN(C(=O)[O-])C3)CCN2C1=O ZINC000827199625 605389679 /nfs/dbraw/zinc/38/96/79/605389679.db2.gz PLLJHBILMDQADF-VXGBXAGGSA-N -1 0 368.390 -0.360 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)NC[C@@H](NC(=O)[O-])C(C)C)CCN2C1=O ZINC000827199628 603868327 /nfs/dbraw/zinc/86/83/27/603868327.db2.gz PPAUWPKEHPGLFS-GHMZBOCLSA-N -1 0 355.395 -0.044 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)NC[C@@H](NC(=O)[O-])C(C)C)CCN2C1=O ZINC000827199645 603868742 /nfs/dbraw/zinc/86/87/42/603868742.db2.gz PPAUWPKEHPGLFS-MNOVXSKESA-N -1 0 355.395 -0.044 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H](NC(=O)[O-])C(C)C)CCN2C1=O ZINC000827199649 603868431 /nfs/dbraw/zinc/86/84/31/603868431.db2.gz PPAUWPKEHPGLFS-QWRGUYRKSA-N -1 0 355.395 -0.044 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)NC[C@H](NC(=O)[O-])C(C)C)CCN2C1=O ZINC000827199653 603868835 /nfs/dbraw/zinc/86/88/35/603868835.db2.gz PPAUWPKEHPGLFS-WDEREUQCSA-N -1 0 355.395 -0.044 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)CN(C[C@H]3CCCO3)C(=O)[O-])CCN2C1=O ZINC000827199699 603786836 /nfs/dbraw/zinc/78/68/36/603786836.db2.gz PVIRBNAHRHWRCI-NEPJUHHUSA-N -1 0 368.390 -0.360 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)CN(C[C@@H]3CCCO3)C(=O)[O-])CCN2C1=O ZINC000827199704 603786733 /nfs/dbraw/zinc/78/67/33/603786733.db2.gz PVIRBNAHRHWRCI-NWDGAFQWSA-N -1 0 368.390 -0.360 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)CN(C[C@@H]3CCCO3)C(=O)[O-])CCN2C1=O ZINC000827199707 603786831 /nfs/dbraw/zinc/78/68/31/603786831.db2.gz PVIRBNAHRHWRCI-RYUDHWBXSA-N -1 0 368.390 -0.360 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)CN(C[C@H]3CCCO3)C(=O)[O-])CCN2C1=O ZINC000827199709 603786922 /nfs/dbraw/zinc/78/69/22/603786922.db2.gz PVIRBNAHRHWRCI-VXGBXAGGSA-N -1 0 368.390 -0.360 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)NCCN(C(=O)[O-])C3CC3)CCN2C1=O ZINC000827199963 603846817 /nfs/dbraw/zinc/84/68/17/603846817.db2.gz QLWRORCSVCXJAA-LLVKDONJSA-N -1 0 353.379 -0.193 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)NCCN(C(=O)[O-])C3CC3)CCN2C1=O ZINC000827199967 603846927 /nfs/dbraw/zinc/84/69/27/603846927.db2.gz QLWRORCSVCXJAA-NSHDSACASA-N -1 0 353.379 -0.193 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)CCN2C1=O ZINC000827200424 604890848 /nfs/dbraw/zinc/89/08/48/604890848.db2.gz SWLVIBVULCTNCI-GHMZBOCLSA-N -1 0 354.363 -0.750 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)CCN2C1=O ZINC000827200428 604890668 /nfs/dbraw/zinc/89/06/68/604890668.db2.gz SWLVIBVULCTNCI-MNOVXSKESA-N -1 0 354.363 -0.750 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)C[C@H]3CN(C(=O)[O-])CCO3)CCN2C1=O ZINC000827200431 604890924 /nfs/dbraw/zinc/89/09/24/604890924.db2.gz SWLVIBVULCTNCI-QWRGUYRKSA-N -1 0 354.363 -0.750 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)C[C@H]3CN(C(=O)[O-])CCO3)CCN2C1=O ZINC000827200435 604890900 /nfs/dbraw/zinc/89/09/00/604890900.db2.gz SWLVIBVULCTNCI-WDEREUQCSA-N -1 0 354.363 -0.750 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3[C@H](C)OC(C)(C)N3C(=O)[O-])CCN2C1=O ZINC000827200930 603828099 /nfs/dbraw/zinc/82/80/99/603828099.db2.gz VNKRTAFIVMRRDX-DCAQKATOSA-N -1 0 368.390 -0.015 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)[C@H]3[C@H](C)OC(C)(C)N3C(=O)[O-])CCN2C1=O ZINC000827200939 603828233 /nfs/dbraw/zinc/82/82/33/603828233.db2.gz VNKRTAFIVMRRDX-GARJFASQSA-N -1 0 368.390 -0.015 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)[C@H]3[C@@H](C)OC(C)(C)N3C(=O)[O-])CCN2C1=O ZINC000827200942 603828116 /nfs/dbraw/zinc/82/81/16/603828116.db2.gz VNKRTAFIVMRRDX-OUAUKWLOSA-N -1 0 368.390 -0.015 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3[C@@H](C)OC(C)(C)N3C(=O)[O-])CCN2C1=O ZINC000827200948 603828205 /nfs/dbraw/zinc/82/82/05/603828205.db2.gz VNKRTAFIVMRRDX-VWYCJHECSA-N -1 0 368.390 -0.015 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)C3(OC)CCN(C(=O)[O-])CC3)CCN2C1=O ZINC000827201339 603828210 /nfs/dbraw/zinc/82/82/10/603828210.db2.gz XCCGVZDYWDGVHF-LLVKDONJSA-N -1 0 368.390 -0.360 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)C3(OC)CCN(C(=O)[O-])CC3)CCN2C1=O ZINC000827201342 603828296 /nfs/dbraw/zinc/82/82/96/603828296.db2.gz XCCGVZDYWDGVHF-NSHDSACASA-N -1 0 368.390 -0.360 20 0 FBADRM CCN1CCN(CC(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C)C(=O)C1=O ZINC000827221683 603571587 /nfs/dbraw/zinc/57/15/87/603571587.db2.gz BOJNEQGNUCWGMR-GFCCVEGCSA-N -1 0 356.423 -0.182 20 0 FBADRM CCN1CCN(CC(=O)N(C)CC[C@H](NC(=O)[O-])C(C)C)C(=O)C1=O ZINC000827221686 603571756 /nfs/dbraw/zinc/57/17/56/603571756.db2.gz BOJNEQGNUCWGMR-LBPRGKRZSA-N -1 0 356.423 -0.182 20 0 FBADRM CCN1CCN(CC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])C(=O)C1=O ZINC000827221723 604027347 /nfs/dbraw/zinc/02/73/47/604027347.db2.gz CAXFEXOHPTYLGY-NEPJUHHUSA-N -1 0 352.391 -0.580 20 0 FBADRM CCN1CCN(CC(=O)N(C)C2CCC(NC(=O)[O-])CC2)C(=O)C1=O ZINC000827222186 603478417 /nfs/dbraw/zinc/47/84/17/603478417.db2.gz GLLQGSCCPMFVMC-UHFFFAOYSA-N -1 0 354.407 -0.286 20 0 FBADRM CCN1CCN(CC(=O)N(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)C(=O)C1=O ZINC000827223628 605779270 /nfs/dbraw/zinc/77/92/70/605779270.db2.gz UKYHPBQVCBQKQL-GFCCVEGCSA-N -1 0 352.391 -0.580 20 0 FBADRM CCN1CCN(CC(=O)N(C2CC2)[C@H]2CCN(C(=O)[O-])C2)C(=O)C1=O ZINC000827223633 605779370 /nfs/dbraw/zinc/77/93/70/605779370.db2.gz UKYHPBQVCBQKQL-LBPRGKRZSA-N -1 0 352.391 -0.580 20 0 FBADRM CCN1CCN(C2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])CC2)C1=O ZINC000827223862 603790321 /nfs/dbraw/zinc/79/03/21/603790321.db2.gz XBJAMNFGEGTMNF-CHWSQXEVSA-N -1 0 354.407 -0.152 20 0 FBADRM CCN1CCN(C2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])CC2)C1=O ZINC000827223865 603790108 /nfs/dbraw/zinc/79/01/08/603790108.db2.gz XBJAMNFGEGTMNF-OLZOCXBDSA-N -1 0 354.407 -0.152 20 0 FBADRM CCN1CCN(C2CCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])CC2)C1=O ZINC000827223866 603790006 /nfs/dbraw/zinc/79/00/06/603790006.db2.gz XBJAMNFGEGTMNF-QWHCGFSZSA-N -1 0 354.407 -0.152 20 0 FBADRM CCN1CCN(C2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])CC2)C1=O ZINC000827223867 603789996 /nfs/dbraw/zinc/78/99/96/603789996.db2.gz XBJAMNFGEGTMNF-STQMWFEESA-N -1 0 354.407 -0.152 20 0 FBADRM CCN1CCN(CC(=O)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)C(=O)C1=O ZINC000827223955 604172694 /nfs/dbraw/zinc/17/26/94/604172694.db2.gz XYKMMYXRNBFPBC-NEPJUHHUSA-N -1 0 354.407 -0.428 20 0 FBADRM CCN1CCN(CC(=O)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)C(=O)C1=O ZINC000827223957 604172728 /nfs/dbraw/zinc/17/27/28/604172728.db2.gz XYKMMYXRNBFPBC-NWDGAFQWSA-N -1 0 354.407 -0.428 20 0 FBADRM CCN1CCN(CC(=O)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)C(=O)C1=O ZINC000827223959 604172886 /nfs/dbraw/zinc/17/28/86/604172886.db2.gz XYKMMYXRNBFPBC-RYUDHWBXSA-N -1 0 354.407 -0.428 20 0 FBADRM CCN1CCN(CC(=O)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)C(=O)C1=O ZINC000827223961 604172534 /nfs/dbraw/zinc/17/25/34/604172534.db2.gz XYKMMYXRNBFPBC-VXGBXAGGSA-N -1 0 354.407 -0.428 20 0 FBADRM CCN1CCN(CC(=O)N2CCC[C@@H](C)[C@@H]2CNC(=O)[O-])C(=O)C1=O ZINC000827223988 603685414 /nfs/dbraw/zinc/68/54/14/603685414.db2.gz YFNCERGTCOBTSV-NEPJUHHUSA-N -1 0 354.407 -0.428 20 0 FBADRM CCN1CCN(CC(=O)N2CCC[C@H](C)[C@H]2CNC(=O)[O-])C(=O)C1=O ZINC000827223989 603685763 /nfs/dbraw/zinc/68/57/63/603685763.db2.gz YFNCERGTCOBTSV-NWDGAFQWSA-N -1 0 354.407 -0.428 20 0 FBADRM CCN1CCN(CC(=O)N2CCC[C@H](C)[C@@H]2CNC(=O)[O-])C(=O)C1=O ZINC000827223990 603685847 /nfs/dbraw/zinc/68/58/47/603685847.db2.gz YFNCERGTCOBTSV-RYUDHWBXSA-N -1 0 354.407 -0.428 20 0 FBADRM CCN1CCN(CC(=O)N2CCC[C@@H](C)[C@H]2CNC(=O)[O-])C(=O)C1=O ZINC000827223991 603685831 /nfs/dbraw/zinc/68/58/31/603685831.db2.gz YFNCERGTCOBTSV-VXGBXAGGSA-N -1 0 354.407 -0.428 20 0 FBADRM CCN1CCO[C@@H](C(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)C1 ZINC000827226901 603708626 /nfs/dbraw/zinc/70/86/26/603708626.db2.gz AXZVUNCPOOWEJN-CHWSQXEVSA-N -1 0 356.423 -0.671 20 0 FBADRM CCN1CCO[C@H](C(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)C1 ZINC000827226902 603708659 /nfs/dbraw/zinc/70/86/59/603708659.db2.gz AXZVUNCPOOWEJN-OLZOCXBDSA-N -1 0 356.423 -0.671 20 0 FBADRM CCN1CCO[C@@H](C(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)C1 ZINC000827226903 603708919 /nfs/dbraw/zinc/70/89/19/603708919.db2.gz AXZVUNCPOOWEJN-QWHCGFSZSA-N -1 0 356.423 -0.671 20 0 FBADRM CCN1CCO[C@H](C(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)C1 ZINC000827226904 603708429 /nfs/dbraw/zinc/70/84/29/603708429.db2.gz AXZVUNCPOOWEJN-STQMWFEESA-N -1 0 356.423 -0.671 20 0 FBADRM CCN1CCO[C@H](C(=O)Nc2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)C1 ZINC000827227774 603959283 /nfs/dbraw/zinc/95/92/83/603959283.db2.gz IZBFLBAPVXSZQB-JTQLQIEISA-N -1 0 353.383 -0.736 20 0 FBADRM CCN1CCO[C@@H](C(=O)Nc2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)C1 ZINC000827227775 603959534 /nfs/dbraw/zinc/95/95/34/603959534.db2.gz IZBFLBAPVXSZQB-SNVBAGLBSA-N -1 0 353.383 -0.736 20 0 FBADRM CCN1CCO[C@H](CN2CCN(C(=O)COC3CN(C(=O)[O-])C3)CC2)C1 ZINC000827228071 604001502 /nfs/dbraw/zinc/00/15/02/604001502.db2.gz LAOMQLIAJSVUAN-AWEZNQCLSA-N -1 0 370.450 -0.770 20 0 FBADRM CCN1CCO[C@@H](CN2CCN(C(=O)COC3CN(C(=O)[O-])C3)CC2)C1 ZINC000827228073 604001813 /nfs/dbraw/zinc/00/18/13/604001813.db2.gz LAOMQLIAJSVUAN-CQSZACIVSA-N -1 0 370.450 -0.770 20 0 FBADRM CCN1CCO[C@@H](CN2CCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)CC2)C1 ZINC000827228096 604840840 /nfs/dbraw/zinc/84/08/40/604840840.db2.gz LIWYVAXZQBTAIL-CABCVRRESA-N -1 0 370.450 -0.770 20 0 FBADRM CCN1CCO[C@H](CN2CCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)CC2)C1 ZINC000827228098 604840926 /nfs/dbraw/zinc/84/09/26/604840926.db2.gz LIWYVAXZQBTAIL-GJZGRUSLSA-N -1 0 370.450 -0.770 20 0 FBADRM CCN1CCO[C@@H](CN2CCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)CC2)C1 ZINC000827228100 604840764 /nfs/dbraw/zinc/84/07/64/604840764.db2.gz LIWYVAXZQBTAIL-HUUCEWRRSA-N -1 0 370.450 -0.770 20 0 FBADRM CCN1CCO[C@H](CN2CCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)CC2)C1 ZINC000827228102 604841140 /nfs/dbraw/zinc/84/11/40/604841140.db2.gz LIWYVAXZQBTAIL-LSDHHAIUSA-N -1 0 370.450 -0.770 20 0 FBADRM CCN1CCO[C@H](CN2CCN(C(=O)CC3CN(C(=O)[O-])C3)CC2)C1 ZINC000827229053 603760232 /nfs/dbraw/zinc/76/02/32/603760232.db2.gz STTMZRIBDKEQOM-HNNXBMFYSA-N -1 0 354.451 -0.149 20 0 FBADRM CCN1CCO[C@@H](CN2CCN(C(=O)CC3CN(C(=O)[O-])C3)CC2)C1 ZINC000827229054 603759832 /nfs/dbraw/zinc/75/98/32/603759832.db2.gz STTMZRIBDKEQOM-OAHLLOKOSA-N -1 0 354.451 -0.149 20 0 FBADRM CCN1CCO[C@H](CN2CCN(C(=O)NCCCNC(=O)[O-])CC2)C1 ZINC000827229148 604109025 /nfs/dbraw/zinc/10/90/25/604109025.db2.gz VLXLDIDYJHEZOU-AWEZNQCLSA-N -1 0 357.455 -0.308 20 0 FBADRM CCN1CCO[C@@H](CN2CCN(C(=O)NCCCNC(=O)[O-])CC2)C1 ZINC000827229149 604108671 /nfs/dbraw/zinc/10/86/71/604108671.db2.gz VLXLDIDYJHEZOU-CQSZACIVSA-N -1 0 357.455 -0.308 20 0 FBADRM CCN1CCO[C@@H](CN2CCN(C(=O)[C@]3(F)CCN(C(=O)[O-])C3)CC2)C1 ZINC000827229308 603881645 /nfs/dbraw/zinc/88/16/45/603881645.db2.gz ZXYQMVXLQYZPRB-PBHICJAKSA-N -1 0 372.441 -0.057 20 0 FBADRM CCN1CCO[C@@H](CN2CCN(C(=O)[C@@]3(F)CCN(C(=O)[O-])C3)CC2)C1 ZINC000827229309 603881726 /nfs/dbraw/zinc/88/17/26/603881726.db2.gz ZXYQMVXLQYZPRB-RHSMWYFYSA-N -1 0 372.441 -0.057 20 0 FBADRM CCN1CCO[C@H](CN2CCN(C(=O)[C@@]3(F)CCN(C(=O)[O-])C3)CC2)C1 ZINC000827229310 603881947 /nfs/dbraw/zinc/88/19/47/603881947.db2.gz ZXYQMVXLQYZPRB-WMLDXEAASA-N -1 0 372.441 -0.057 20 0 FBADRM CCN1CCO[C@H](CN2CCN(C(=O)[C@]3(F)CCN(C(=O)[O-])C3)CC2)C1 ZINC000827229311 603881760 /nfs/dbraw/zinc/88/17/60/603881760.db2.gz ZXYQMVXLQYZPRB-YOEHRIQHSA-N -1 0 372.441 -0.057 20 0 FBADRM CCNC(=O)CCCC(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000827236453 603954181 /nfs/dbraw/zinc/95/41/81/603954181.db2.gz GQJDJHJQPBOEGI-UHFFFAOYSA-N -1 0 353.383 -0.150 20 0 FBADRM CCNC(=O)C1CN(C(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)C1 ZINC000827236662 604065300 /nfs/dbraw/zinc/06/53/00/604065300.db2.gz IKHMSTZJXFNSFX-UHFFFAOYSA-N -1 0 350.379 -0.199 20 0 FBADRM CCNC(=O)C(C)(C)CNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000827236899 605523470 /nfs/dbraw/zinc/52/34/70/605523470.db2.gz LTYJAPWXBHNCJI-UHFFFAOYSA-N -1 0 357.411 -0.730 20 0 FBADRM C[C@@H](CC(=O)[O-])C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000827239891 602151562 /nfs/dbraw/zinc/15/15/62/602151562.db2.gz FKEAFMITJZQYLP-AWEZNQCLSA-N -1 0 368.478 -0.206 20 0 FBADRM C[C@H](CC(=O)[O-])C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000827239894 602151408 /nfs/dbraw/zinc/15/14/08/602151408.db2.gz FKEAFMITJZQYLP-CQSZACIVSA-N -1 0 368.478 -0.206 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])CC1 ZINC000827241653 605605161 /nfs/dbraw/zinc/60/51/61/605605161.db2.gz AXWOUOZUQFPWJD-GFCCVEGCSA-N -1 0 358.464 -0.248 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)C[C@H]2CSCCN2C(=O)[O-])CC1 ZINC000827241654 605604545 /nfs/dbraw/zinc/60/45/45/605604545.db2.gz AXWOUOZUQFPWJD-LBPRGKRZSA-N -1 0 358.464 -0.248 20 0 FBADRM CCNC(=O)CN1CCCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827241905 604701837 /nfs/dbraw/zinc/70/18/37/604701837.db2.gz CVNQMPVAVLXZJF-CYBMUJFWSA-N -1 0 356.423 -0.574 20 0 FBADRM CCNC(=O)CN1CCCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827241906 604702970 /nfs/dbraw/zinc/70/29/70/604702970.db2.gz CVNQMPVAVLXZJF-ZDUSSCGKSA-N -1 0 356.423 -0.574 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000827241984 605256334 /nfs/dbraw/zinc/25/63/34/605256334.db2.gz GHEGORHLIFHLIY-CYBMUJFWSA-N -1 0 356.423 -0.574 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000827241985 605256382 /nfs/dbraw/zinc/25/63/82/605256382.db2.gz GHEGORHLIFHLIY-ZDUSSCGKSA-N -1 0 356.423 -0.574 20 0 FBADRM CCNC(=O)CN(C)CN1C(=O)N[C@@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O ZINC000827242084 603597663 /nfs/dbraw/zinc/59/76/63/603597663.db2.gz IXBIQZCDWQTIIF-BDJLRTHQSA-N -1 0 369.422 -0.240 20 0 FBADRM CCNC(=O)CN(C)CN1C(=O)N[C@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O ZINC000827242085 603597601 /nfs/dbraw/zinc/59/76/01/603597601.db2.gz IXBIQZCDWQTIIF-BZNIZROVSA-N -1 0 369.422 -0.240 20 0 FBADRM CCNC(=O)CN(C)CN1C(=O)N[C@@]2(CCCC[C@H]2CNC(=O)[O-])C1=O ZINC000827242086 603597453 /nfs/dbraw/zinc/59/74/53/603597453.db2.gz IXBIQZCDWQTIIF-MEDUHNTESA-N -1 0 369.422 -0.240 20 0 FBADRM CCNC(=O)CN(C)CN1C(=O)N[C@]2(CCCC[C@H]2CNC(=O)[O-])C1=O ZINC000827242087 603597879 /nfs/dbraw/zinc/59/78/79/603597879.db2.gz IXBIQZCDWQTIIF-ZBEGNZNMSA-N -1 0 369.422 -0.240 20 0 FBADRM CCNC(=O)COc1cccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000827242125 603676246 /nfs/dbraw/zinc/67/62/46/603676246.db2.gz JUSBXGRHLRGTRJ-GXTWGEPZSA-N -1 0 365.386 -0.069 20 0 FBADRM CCNC(=O)COc1cccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000827242126 603676353 /nfs/dbraw/zinc/67/63/53/603676353.db2.gz JUSBXGRHLRGTRJ-JSGCOSHPSA-N -1 0 365.386 -0.069 20 0 FBADRM CCNC(=O)COc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000827242127 603676212 /nfs/dbraw/zinc/67/62/12/603676212.db2.gz JUSBXGRHLRGTRJ-OCCSQVGLSA-N -1 0 365.386 -0.069 20 0 FBADRM CCNC(=O)COc1cccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000827242128 603676315 /nfs/dbraw/zinc/67/63/15/603676315.db2.gz JUSBXGRHLRGTRJ-TZMCWYRMSA-N -1 0 365.386 -0.069 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])CC1 ZINC000827242181 603844025 /nfs/dbraw/zinc/84/40/25/603844025.db2.gz LGSFYTCIMOOANU-CHWSQXEVSA-N -1 0 355.439 -0.114 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])CC1 ZINC000827242182 603844215 /nfs/dbraw/zinc/84/42/15/603844215.db2.gz LGSFYTCIMOOANU-OLZOCXBDSA-N -1 0 355.439 -0.114 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])CC1 ZINC000827242183 603844300 /nfs/dbraw/zinc/84/43/00/603844300.db2.gz LGSFYTCIMOOANU-QWHCGFSZSA-N -1 0 355.439 -0.114 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])CC1 ZINC000827242184 603843986 /nfs/dbraw/zinc/84/39/86/603843986.db2.gz LGSFYTCIMOOANU-STQMWFEESA-N -1 0 355.439 -0.114 20 0 FBADRM CCNC(=O)CN1CCCN(C(=O)CN2CCC(NC(=O)[O-])CC2)CC1 ZINC000827242198 605627897 /nfs/dbraw/zinc/62/78/97/605627897.db2.gz LSOYFZJHVSDEPN-UHFFFAOYSA-N -1 0 369.466 -0.611 20 0 FBADRM CCNC(=O)CN(C)Cn1nc(C2CCN(C(=O)[O-])CC2)n(CC)c1=O ZINC000827242256 604432403 /nfs/dbraw/zinc/43/24/03/604432403.db2.gz NGTWJCIXOHIDQM-UHFFFAOYSA-N -1 0 368.438 -0.053 20 0 FBADRM CCNC(=O)N1CC[C@@H](NC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)C1 ZINC000827242362 604545266 /nfs/dbraw/zinc/54/52/66/604545266.db2.gz PUTDTBPAMNLJJV-GFCCVEGCSA-N -1 0 355.439 -0.019 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)C1 ZINC000827242363 604545170 /nfs/dbraw/zinc/54/51/70/604545170.db2.gz PUTDTBPAMNLJJV-LBPRGKRZSA-N -1 0 355.439 -0.019 20 0 FBADRM CCNC(=O)CN1CCCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000827242587 605281014 /nfs/dbraw/zinc/28/10/14/605281014.db2.gz RQXXAHSYGWOOPM-AWEZNQCLSA-N -1 0 370.450 -0.184 20 0 FBADRM CCNC(=O)CN1CCCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000827242589 605281150 /nfs/dbraw/zinc/28/11/50/605281150.db2.gz RQXXAHSYGWOOPM-CQSZACIVSA-N -1 0 370.450 -0.184 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CC1 ZINC000827242632 603648805 /nfs/dbraw/zinc/64/88/05/603648805.db2.gz SVLYEHSDCFYMOM-UHFFFAOYSA-N -1 0 369.466 -0.659 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000827243272 603648902 /nfs/dbraw/zinc/64/89/02/603648902.db2.gz XJSLRGFLQVESHZ-AAEUAGOBSA-N -1 0 356.423 -0.230 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000827243275 603648969 /nfs/dbraw/zinc/64/89/69/603648969.db2.gz XJSLRGFLQVESHZ-DGCLKSJQSA-N -1 0 356.423 -0.230 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000827243278 603649044 /nfs/dbraw/zinc/64/90/44/603649044.db2.gz XJSLRGFLQVESHZ-WCQYABFASA-N -1 0 356.423 -0.230 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000827243280 603648965 /nfs/dbraw/zinc/64/89/65/603648965.db2.gz XJSLRGFLQVESHZ-YPMHNXCESA-N -1 0 356.423 -0.230 20 0 FBADRM CCNC(=O)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2CNC(=O)[O-])C1=O ZINC000827248407 603675097 /nfs/dbraw/zinc/67/50/97/603675097.db2.gz ABDDSIVTRKRPNQ-BJOHPYRUSA-N -1 0 369.378 -0.420 20 0 FBADRM CCNC(=O)NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O ZINC000827248408 603674694 /nfs/dbraw/zinc/67/46/94/603674694.db2.gz ABDDSIVTRKRPNQ-PSLIRLAXSA-N -1 0 369.378 -0.420 20 0 FBADRM CCNC(=O)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O ZINC000827248409 603674728 /nfs/dbraw/zinc/67/47/28/603674728.db2.gz ABDDSIVTRKRPNQ-RFAUZJTJSA-N -1 0 369.378 -0.420 20 0 FBADRM CCNC(=O)NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2CNC(=O)[O-])C1=O ZINC000827248410 603674891 /nfs/dbraw/zinc/67/48/91/603674891.db2.gz ABDDSIVTRKRPNQ-VFZGTOFNSA-N -1 0 369.378 -0.420 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)C1 ZINC000827248492 604578603 /nfs/dbraw/zinc/57/86/03/604578603.db2.gz CCNUCFGRMZTXBM-GRYCIOLGSA-N -1 0 357.411 -0.143 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)C1 ZINC000827248493 604578269 /nfs/dbraw/zinc/57/82/69/604578269.db2.gz CCNUCFGRMZTXBM-SDDRHHMPSA-N -1 0 357.411 -0.143 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)C1 ZINC000827248494 604578447 /nfs/dbraw/zinc/57/84/47/604578447.db2.gz CCNUCFGRMZTXBM-SRVKXCTJSA-N -1 0 357.411 -0.143 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)C1 ZINC000827248495 604578434 /nfs/dbraw/zinc/57/84/34/604578434.db2.gz CCNUCFGRMZTXBM-WOPDTQHZSA-N -1 0 357.411 -0.143 20 0 FBADRM CCNC(=O)N1CC[C@@H](NC(=O)N(C)CCN2CCN(C(=O)[O-])CC2)C1 ZINC000827248884 604822920 /nfs/dbraw/zinc/82/29/20/604822920.db2.gz HUEPQEQNYOVRMB-CYBMUJFWSA-N -1 0 370.454 -0.273 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)N(C)CCN2CCN(C(=O)[O-])CC2)C1 ZINC000827248885 604823160 /nfs/dbraw/zinc/82/31/60/604823160.db2.gz HUEPQEQNYOVRMB-ZDUSSCGKSA-N -1 0 370.454 -0.273 20 0 FBADRM CCNC(=O)N1CC[C@@H](NC(=O)NCCCN2CCN(C(=O)[O-])CC2)C1 ZINC000827249452 604578643 /nfs/dbraw/zinc/57/86/43/604578643.db2.gz KUSMMNNCRQHQTH-CYBMUJFWSA-N -1 0 370.454 -0.225 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)NCCCN2CCN(C(=O)[O-])CC2)C1 ZINC000827249453 604578613 /nfs/dbraw/zinc/57/86/13/604578613.db2.gz KUSMMNNCRQHQTH-ZDUSSCGKSA-N -1 0 370.454 -0.225 20 0 FBADRM CCNC(=O)N1CC[C@@H](NC(=O)NCCN2CCN(C(=O)[O-])CC2)C1 ZINC000827251271 604576871 /nfs/dbraw/zinc/57/68/71/604576871.db2.gz XJTASIAVLBYJER-GFCCVEGCSA-N -1 0 356.427 -0.615 20 0 FBADRM CCNC(=O)N1CC[C@H](NC(=O)NCCN2CCN(C(=O)[O-])CC2)C1 ZINC000827251275 604576375 /nfs/dbraw/zinc/57/63/75/604576375.db2.gz XJTASIAVLBYJER-LBPRGKRZSA-N -1 0 356.427 -0.615 20 0 FBADRM C[C@H](CC(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000827262226 602096351 /nfs/dbraw/zinc/09/63/51/602096351.db2.gz GZKVREUCKSPDQV-SECBINFHSA-N -1 0 373.387 -0.678 20 0 FBADRM C[C@@H](CC(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000827262227 602096796 /nfs/dbraw/zinc/09/67/96/602096796.db2.gz GZKVREUCKSPDQV-VIFPVBQESA-N -1 0 373.387 -0.678 20 0 FBADRM CCNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000827264561 604511666 /nfs/dbraw/zinc/51/16/66/604511666.db2.gz BPEAABFGRDYUDY-AAEUAGOBSA-N -1 0 371.415 -0.286 20 0 FBADRM CCNS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000827264562 604511566 /nfs/dbraw/zinc/51/15/66/604511566.db2.gz BPEAABFGRDYUDY-DGCLKSJQSA-N -1 0 371.415 -0.286 20 0 FBADRM CCNS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000827264563 604511572 /nfs/dbraw/zinc/51/15/72/604511572.db2.gz BPEAABFGRDYUDY-WCQYABFASA-N -1 0 371.415 -0.286 20 0 FBADRM CCNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000827264564 604511630 /nfs/dbraw/zinc/51/16/30/604511630.db2.gz BPEAABFGRDYUDY-YPMHNXCESA-N -1 0 371.415 -0.286 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000827264822 603714003 /nfs/dbraw/zinc/71/40/03/603714003.db2.gz DLDSLMRYRITAFX-UHFFFAOYSA-N -1 0 372.403 -0.552 20 0 FBADRM CCNS(=O)(=O)c1ccc(CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000827265167 604902996 /nfs/dbraw/zinc/90/29/96/604902996.db2.gz HBPNZNQZXRCGIZ-CYBMUJFWSA-N -1 0 371.415 -0.020 20 0 FBADRM CCNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000827265168 604902522 /nfs/dbraw/zinc/90/25/22/604902522.db2.gz HBPNZNQZXRCGIZ-ZDUSSCGKSA-N -1 0 371.415 -0.020 20 0 FBADRM CCNS(=O)(=O)c1ccc(CNC(=O)COC2CN(C(=O)[O-])C2)cc1 ZINC000827265444 604511842 /nfs/dbraw/zinc/51/18/42/604511842.db2.gz KCGCQVVLHABJGI-UHFFFAOYSA-N -1 0 371.415 -0.020 20 0 FBADRM CCNS(=O)(=O)c1ccc(CNC(=O)[C@H]2COCCN2C(=O)[O-])cc1 ZINC000827265741 604510361 /nfs/dbraw/zinc/51/03/61/604510361.db2.gz NKCBZIFNFOHSTI-CYBMUJFWSA-N -1 0 371.415 -0.020 20 0 FBADRM CCNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2COCCN2C(=O)[O-])cc1 ZINC000827265742 604510330 /nfs/dbraw/zinc/51/03/30/604510330.db2.gz NKCBZIFNFOHSTI-ZDUSSCGKSA-N -1 0 371.415 -0.020 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C1(NC(=O)[O-])Cc2ccccc2C1 ZINC000827266066 603775617 /nfs/dbraw/zinc/77/56/17/603775617.db2.gz RCKIDHQTMUXTHG-UHFFFAOYSA-N -1 0 355.416 -0.153 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000827266978 604879862 /nfs/dbraw/zinc/87/98/62/604879862.db2.gz XTAKWPZAPONPMC-NXEZZACHSA-N -1 0 366.440 -0.272 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000827266979 604880045 /nfs/dbraw/zinc/88/00/45/604880045.db2.gz XTAKWPZAPONPMC-UWVGGRQHSA-N -1 0 366.440 -0.272 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000827266980 604880094 /nfs/dbraw/zinc/88/00/94/604880094.db2.gz XTAKWPZAPONPMC-VHSXEESVSA-N -1 0 366.440 -0.272 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000827266981 604880318 /nfs/dbraw/zinc/88/03/18/604880318.db2.gz XTAKWPZAPONPMC-ZJUUUORDSA-N -1 0 366.440 -0.272 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000827267256 603775555 /nfs/dbraw/zinc/77/55/55/603775555.db2.gz ZWRHZDOFEZLWGY-UHFFFAOYSA-N -1 0 350.441 -0.884 20 0 FBADRM CCOC(=O)C(=O)N1CCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])CC1 ZINC000827282568 605311764 /nfs/dbraw/zinc/31/17/64/605311764.db2.gz GYCSRQFNPGLJRK-LLVKDONJSA-N -1 0 373.431 -0.294 20 0 FBADRM CCOC(=O)C(=O)N1CCN(C(=O)C[C@H]2CSCCN2C(=O)[O-])CC1 ZINC000827282572 605311568 /nfs/dbraw/zinc/31/15/68/605311568.db2.gz GYCSRQFNPGLJRK-NSHDSACASA-N -1 0 373.431 -0.294 20 0 FBADRM CCOC(=O)C(=O)N1CCN(C(=O)c2ccc(CNC(=O)[O-])o2)CC1 ZINC000827283185 602954296 /nfs/dbraw/zinc/95/42/96/602954296.db2.gz JQYITNUGMGCAKF-UHFFFAOYSA-N -1 0 353.331 -0.105 20 0 FBADRM CCOC(=O)[C@@H](CC)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000827283733 603918159 /nfs/dbraw/zinc/91/81/59/603918159.db2.gz LJVJCJPLPIQDFV-GFCCVEGCSA-N -1 0 363.436 -0.362 20 0 FBADRM CCOC(=O)[C@H](CC)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000827283734 603917894 /nfs/dbraw/zinc/91/78/94/603917894.db2.gz LJVJCJPLPIQDFV-LBPRGKRZSA-N -1 0 363.436 -0.362 20 0 FBADRM CCOC(=O)C(=O)N1CCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000827283930 605346857 /nfs/dbraw/zinc/34/68/57/605346857.db2.gz MBTUATYVNNKZAZ-GFCCVEGCSA-N -1 0 371.390 -0.621 20 0 FBADRM CCOC(=O)C(=O)N1CCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000827283933 605346490 /nfs/dbraw/zinc/34/64/90/605346490.db2.gz MBTUATYVNNKZAZ-LBPRGKRZSA-N -1 0 371.390 -0.621 20 0 FBADRM C[C@@H](CC(=O)[O-])C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000827284418 661117777 /nfs/dbraw/zinc/11/77/77/661117777.db2.gz YXWZHFODTWZBSL-JTQLQIEISA-N -1 0 358.420 -0.200 20 0 FBADRM C[C@H](CC(=O)[O-])C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000827284419 661117954 /nfs/dbraw/zinc/11/79/54/661117954.db2.gz YXWZHFODTWZBSL-SNVBAGLBSA-N -1 0 358.420 -0.200 20 0 FBADRM CCOC(=O)C(=O)N1CCN(C(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000827284565 603812059 /nfs/dbraw/zinc/81/20/59/603812059.db2.gz POMRHZVVBZVUOA-GHMZBOCLSA-N -1 0 371.390 -0.276 20 0 FBADRM CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000827284569 603812087 /nfs/dbraw/zinc/81/20/87/603812087.db2.gz POMRHZVVBZVUOA-MNOVXSKESA-N -1 0 371.390 -0.276 20 0 FBADRM CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000827284571 603812063 /nfs/dbraw/zinc/81/20/63/603812063.db2.gz POMRHZVVBZVUOA-QWRGUYRKSA-N -1 0 371.390 -0.276 20 0 FBADRM CCOC(=O)C(=O)N1CCN(C(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000827284573 603811867 /nfs/dbraw/zinc/81/18/67/603811867.db2.gz POMRHZVVBZVUOA-WDEREUQCSA-N -1 0 371.390 -0.276 20 0 FBADRM CCOC(=O)C1=C(COC(=O)[C@H]2CN(C(=O)[O-])CCO2)NC(=O)N[C@@H]1C ZINC000827289450 605217351 /nfs/dbraw/zinc/21/73/51/605217351.db2.gz BZOCBNNQAZFRPY-PSASIEDQSA-N -1 0 371.346 -0.573 20 0 FBADRM CCOC(=O)C1=C(COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)NC(=O)N[C@@H]1C ZINC000827289451 605217338 /nfs/dbraw/zinc/21/73/38/605217338.db2.gz BZOCBNNQAZFRPY-SCZZXKLOSA-N -1 0 371.346 -0.573 20 0 FBADRM CCOC(=O)C1=C(COC(=O)[C@H]2CN(C(=O)[O-])CCO2)NC(=O)N[C@H]1C ZINC000827289452 605217150 /nfs/dbraw/zinc/21/71/50/605217150.db2.gz BZOCBNNQAZFRPY-WCBMZHEXSA-N -1 0 371.346 -0.573 20 0 FBADRM CCOC(=O)C1=C(COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)NC(=O)N[C@H]1C ZINC000827289453 605217429 /nfs/dbraw/zinc/21/74/29/605217429.db2.gz BZOCBNNQAZFRPY-WPRPVWTQSA-N -1 0 371.346 -0.573 20 0 FBADRM CCOC(=O)C1(C(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)CC1 ZINC000827290082 603708461 /nfs/dbraw/zinc/70/84/61/603708461.db2.gz GVTBLJWKKUPCCJ-LLVKDONJSA-N -1 0 355.391 -0.048 20 0 FBADRM CCOC(=O)C1(C(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)CC1 ZINC000827290083 603708559 /nfs/dbraw/zinc/70/85/59/603708559.db2.gz GVTBLJWKKUPCCJ-NSHDSACASA-N -1 0 355.391 -0.048 20 0 FBADRM CCOC(=O)C1(O)CCN(C(=O)CN2CCC(NC(=O)[O-])CC2)CC1 ZINC000827291687 605734469 /nfs/dbraw/zinc/73/44/69/605734469.db2.gz OZQFGIXYTFAZFD-UHFFFAOYSA-N -1 0 357.407 -0.365 20 0 FBADRM CCOC(=O)C1=C(COC(=O)[C@H]2COCCN2C(=O)[O-])NC(=O)N[C@@H]1C ZINC000827292590 603900237 /nfs/dbraw/zinc/90/02/37/603900237.db2.gz SRUDOHTZCRTGJH-PSASIEDQSA-N -1 0 371.346 -0.573 20 0 FBADRM CCOC(=O)C1=C(COC(=O)[C@@H]2COCCN2C(=O)[O-])NC(=O)N[C@@H]1C ZINC000827292594 603900376 /nfs/dbraw/zinc/90/03/76/603900376.db2.gz SRUDOHTZCRTGJH-SCZZXKLOSA-N -1 0 371.346 -0.573 20 0 FBADRM CCOC(=O)C1=C(COC(=O)[C@H]2COCCN2C(=O)[O-])NC(=O)N[C@H]1C ZINC000827292597 603900250 /nfs/dbraw/zinc/90/02/50/603900250.db2.gz SRUDOHTZCRTGJH-WCBMZHEXSA-N -1 0 371.346 -0.573 20 0 FBADRM CCOC(=O)C1=C(COC(=O)[C@@H]2COCCN2C(=O)[O-])NC(=O)N[C@H]1C ZINC000827292601 603900229 /nfs/dbraw/zinc/90/02/29/603900229.db2.gz SRUDOHTZCRTGJH-WPRPVWTQSA-N -1 0 371.346 -0.573 20 0 FBADRM CCOC(=O)C1=C(CN2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)NC(=O)N[C@@H]1C ZINC000827292880 604618322 /nfs/dbraw/zinc/61/83/22/604618322.db2.gz UZDQKYJSYGMEGX-FOGDFJRCSA-N -1 0 370.406 -0.138 20 0 FBADRM CCOC(=O)C1=C(CN2CCO[C@H]([C@H](C)NC(=O)[O-])C2)NC(=O)N[C@H]1C ZINC000827292881 604618543 /nfs/dbraw/zinc/61/85/43/604618543.db2.gz UZDQKYJSYGMEGX-NHCYSSNCSA-N -1 0 370.406 -0.138 20 0 FBADRM CCOC(=O)C1=C(CN2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)NC(=O)N[C@H]1C ZINC000827292882 604618587 /nfs/dbraw/zinc/61/85/87/604618587.db2.gz UZDQKYJSYGMEGX-SCVCMEIPSA-N -1 0 370.406 -0.138 20 0 FBADRM CCOC(=O)C1=C(CN2CCO[C@H]([C@H](C)NC(=O)[O-])C2)NC(=O)N[C@@H]1C ZINC000827292883 604618423 /nfs/dbraw/zinc/61/84/23/604618423.db2.gz UZDQKYJSYGMEGX-UMNHJUIQSA-N -1 0 370.406 -0.138 20 0 FBADRM CCOC(=O)C1(O)CCN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CC1 ZINC000827292971 603822774 /nfs/dbraw/zinc/82/27/74/603822774.db2.gz VUJDUHQXPIQMQZ-UHFFFAOYSA-N -1 0 371.434 -0.023 20 0 FBADRM CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827295684 605201693 /nfs/dbraw/zinc/20/16/93/605201693.db2.gz BXGFKSJYXURFLK-NEPJUHHUSA-N -1 0 372.374 -0.147 20 0 FBADRM CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000827295685 605201947 /nfs/dbraw/zinc/20/19/47/605201947.db2.gz BXGFKSJYXURFLK-NWDGAFQWSA-N -1 0 372.374 -0.147 20 0 FBADRM CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827295686 605201514 /nfs/dbraw/zinc/20/15/14/605201514.db2.gz BXGFKSJYXURFLK-RYUDHWBXSA-N -1 0 372.374 -0.147 20 0 FBADRM CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000827295687 605201769 /nfs/dbraw/zinc/20/17/69/605201769.db2.gz BXGFKSJYXURFLK-VXGBXAGGSA-N -1 0 372.374 -0.147 20 0 FBADRM CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000827295863 603895338 /nfs/dbraw/zinc/89/53/38/603895338.db2.gz DHTLPYSSSCYFSX-NEPJUHHUSA-N -1 0 372.374 -0.147 20 0 FBADRM CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000827295867 603894741 /nfs/dbraw/zinc/89/47/41/603894741.db2.gz DHTLPYSSSCYFSX-NWDGAFQWSA-N -1 0 372.374 -0.147 20 0 FBADRM CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000827295871 603894861 /nfs/dbraw/zinc/89/48/61/603894861.db2.gz DHTLPYSSSCYFSX-RYUDHWBXSA-N -1 0 372.374 -0.147 20 0 FBADRM CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000827295874 603895320 /nfs/dbraw/zinc/89/53/20/603895320.db2.gz DHTLPYSSSCYFSX-VXGBXAGGSA-N -1 0 372.374 -0.147 20 0 FBADRM CCOC(=O)[C@@H]1CN(CN2C[C@H]3CN(C(=O)[O-])CCN3C2=O)CCO1 ZINC000827296105 603604877 /nfs/dbraw/zinc/60/48/77/603604877.db2.gz DYQYVBLWJZLMKQ-NEPJUHHUSA-N -1 0 356.379 -0.692 20 0 FBADRM CCOC(=O)[C@H]1CN(CN2C[C@@H]3CN(C(=O)[O-])CCN3C2=O)CCO1 ZINC000827296108 603604174 /nfs/dbraw/zinc/60/41/74/603604174.db2.gz DYQYVBLWJZLMKQ-NWDGAFQWSA-N -1 0 356.379 -0.692 20 0 FBADRM CCOC(=O)[C@@H]1CN(CN2C[C@@H]3CN(C(=O)[O-])CCN3C2=O)CCO1 ZINC000827296112 603604062 /nfs/dbraw/zinc/60/40/62/603604062.db2.gz DYQYVBLWJZLMKQ-RYUDHWBXSA-N -1 0 356.379 -0.692 20 0 FBADRM CCOC(=O)[C@H]1CN(CN2C[C@H]3CN(C(=O)[O-])CCN3C2=O)CCO1 ZINC000827296115 603604867 /nfs/dbraw/zinc/60/48/67/603604867.db2.gz DYQYVBLWJZLMKQ-VXGBXAGGSA-N -1 0 356.379 -0.692 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000827298213 603896530 /nfs/dbraw/zinc/89/65/30/603896530.db2.gz MSVVLWFDBWPBLT-NEPJUHHUSA-N -1 0 372.374 -0.290 20 0 FBADRM CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000827298215 603896680 /nfs/dbraw/zinc/89/66/80/603896680.db2.gz MSVVLWFDBWPBLT-NWDGAFQWSA-N -1 0 372.374 -0.290 20 0 FBADRM CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)[C@@H]2COCCN2C(=O)[O-])C1 ZINC000827298217 603896556 /nfs/dbraw/zinc/89/65/56/603896556.db2.gz MSVVLWFDBWPBLT-RYUDHWBXSA-N -1 0 372.374 -0.290 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)[C@H]2COCCN2C(=O)[O-])C1 ZINC000827298219 603896305 /nfs/dbraw/zinc/89/63/05/603896305.db2.gz MSVVLWFDBWPBLT-VXGBXAGGSA-N -1 0 372.374 -0.290 20 0 FBADRM CCOC(=O)C1CCN(C(=O)COC(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827298668 605198821 /nfs/dbraw/zinc/19/88/21/605198821.db2.gz OTANUVDCZPDLGI-GFCCVEGCSA-N -1 0 372.374 -0.290 20 0 FBADRM CCOC(=O)C1CCN(C(=O)COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827298671 605198711 /nfs/dbraw/zinc/19/87/11/605198711.db2.gz OTANUVDCZPDLGI-LBPRGKRZSA-N -1 0 372.374 -0.290 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000827299569 605207682 /nfs/dbraw/zinc/20/76/82/605207682.db2.gz SEJGFZLOTIKXOY-NEPJUHHUSA-N -1 0 372.374 -0.290 20 0 FBADRM CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000827299570 605207602 /nfs/dbraw/zinc/20/76/02/605207602.db2.gz SEJGFZLOTIKXOY-NWDGAFQWSA-N -1 0 372.374 -0.290 20 0 FBADRM CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000827299571 605207794 /nfs/dbraw/zinc/20/77/94/605207794.db2.gz SEJGFZLOTIKXOY-RYUDHWBXSA-N -1 0 372.374 -0.290 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000827299572 605207300 /nfs/dbraw/zinc/20/73/00/605207300.db2.gz SEJGFZLOTIKXOY-VXGBXAGGSA-N -1 0 372.374 -0.290 20 0 FBADRM CCOC(=O)[C@H]1CN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CCO1 ZINC000827300072 603831457 /nfs/dbraw/zinc/83/14/57/603831457.db2.gz UYLWPVRPFYRTAO-GFCCVEGCSA-N -1 0 357.407 -0.149 20 0 FBADRM CCOC(=O)[C@@H]1CN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CCO1 ZINC000827300073 603831667 /nfs/dbraw/zinc/83/16/67/603831667.db2.gz UYLWPVRPFYRTAO-LBPRGKRZSA-N -1 0 357.407 -0.149 20 0 FBADRM CCOC(=O)C1CCN(C(=O)COC(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000827300917 603905602 /nfs/dbraw/zinc/90/56/02/603905602.db2.gz YKOBQTMRRRRCRA-GFCCVEGCSA-N -1 0 372.374 -0.290 20 0 FBADRM CCOC(=O)C1CCN(C(=O)COC(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000827300918 603905569 /nfs/dbraw/zinc/90/55/69/603905569.db2.gz YKOBQTMRRRRCRA-LBPRGKRZSA-N -1 0 372.374 -0.290 20 0 FBADRM CCOC(=O)CCCS(=O)(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000827305194 603597065 /nfs/dbraw/zinc/59/70/65/603597065.db2.gz DNSXKIMRQZWOQL-LLVKDONJSA-N -1 0 351.425 -0.457 20 0 FBADRM CCOC(=O)CCCS(=O)(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000827305195 603596789 /nfs/dbraw/zinc/59/67/89/603596789.db2.gz DNSXKIMRQZWOQL-NSHDSACASA-N -1 0 351.425 -0.457 20 0 FBADRM CCOC(=O)CCCN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000827305223 603918052 /nfs/dbraw/zinc/91/80/52/603918052.db2.gz DYSRSLWDLWOWQJ-UHFFFAOYSA-N -1 0 363.436 -0.361 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000827312218 605710318 /nfs/dbraw/zinc/71/03/18/605710318.db2.gz CLGRKJHHXWKXEN-LLVKDONJSA-N -1 0 373.431 -0.043 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)[C@@H]2CSCN2C(=O)[O-])CC1 ZINC000827312220 605710490 /nfs/dbraw/zinc/71/04/90/605710490.db2.gz CLGRKJHHXWKXEN-NSHDSACASA-N -1 0 373.431 -0.043 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000827312442 605409743 /nfs/dbraw/zinc/40/97/43/605409743.db2.gz FFKBBGRMOFFLTN-UHFFFAOYSA-N -1 0 356.379 -0.551 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000827312715 605351548 /nfs/dbraw/zinc/35/15/48/605351548.db2.gz HXZQZJWIMZHDCN-UHFFFAOYSA-N -1 0 371.390 -0.717 20 0 FBADRM CCOC(=O)CN1CCC[C@@H](OC(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000827312725 603590185 /nfs/dbraw/zinc/59/01/85/603590185.db2.gz IGQBDKJIAPGJRE-GFCCVEGCSA-N -1 0 371.390 -0.621 20 0 FBADRM CCOC(=O)CN1CCC[C@H](OC(=O)CN2CCN(C(=O)[O-])CC2=O)C1 ZINC000827312727 603590346 /nfs/dbraw/zinc/59/03/46/603590346.db2.gz IGQBDKJIAPGJRE-LBPRGKRZSA-N -1 0 371.390 -0.621 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)NCCN(C)C(=O)[O-])CC1 ZINC000827312783 605526275 /nfs/dbraw/zinc/52/62/75/605526275.db2.gz JERMDRIQMJCYDZ-UHFFFAOYSA-N -1 0 358.395 -0.303 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827312833 605710342 /nfs/dbraw/zinc/71/03/42/605710342.db2.gz KLAIIUIXOJDNEQ-GFCCVEGCSA-N -1 0 371.390 -0.717 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827312835 605711115 /nfs/dbraw/zinc/71/11/15/605711115.db2.gz KLAIIUIXOJDNEQ-LBPRGKRZSA-N -1 0 371.390 -0.717 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000827313009 605711273 /nfs/dbraw/zinc/71/12/73/605711273.db2.gz KXYJAGMFNMQYNN-INIZCTEOSA-N -1 0 373.381 -0.004 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000827313012 605711410 /nfs/dbraw/zinc/71/14/10/605711410.db2.gz KXYJAGMFNMQYNN-MRXNPFEDSA-N -1 0 373.381 -0.004 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000827313371 605531110 /nfs/dbraw/zinc/53/11/10/605531110.db2.gz OQMNDTJJQSXSTM-GFCCVEGCSA-N -1 0 370.406 -0.160 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000827313373 605531272 /nfs/dbraw/zinc/53/12/72/605531272.db2.gz OQMNDTJJQSXSTM-LBPRGKRZSA-N -1 0 370.406 -0.160 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000827313548 605351281 /nfs/dbraw/zinc/35/12/81/605351281.db2.gz QIPNBSIXLTZWSE-UHFFFAOYSA-N -1 0 355.391 -0.096 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000827313664 605711186 /nfs/dbraw/zinc/71/11/86/605711186.db2.gz RKRHTOAMWKZKPN-GFCCVEGCSA-N -1 0 355.391 -0.096 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000827313665 605711062 /nfs/dbraw/zinc/71/10/62/605711062.db2.gz RKRHTOAMWKZKPN-LBPRGKRZSA-N -1 0 355.391 -0.096 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000827313672 605711391 /nfs/dbraw/zinc/71/13/91/605711391.db2.gz RNWIVXXIHAKBAM-GFCCVEGCSA-N -1 0 371.390 -0.717 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000827313673 605711575 /nfs/dbraw/zinc/71/15/75/605711575.db2.gz RNWIVXXIHAKBAM-LBPRGKRZSA-N -1 0 371.390 -0.717 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000827313793 605450308 /nfs/dbraw/zinc/45/03/08/605450308.db2.gz TXUHUUYNORVCFP-NEPJUHHUSA-N -1 0 371.390 -0.983 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000827313794 605450691 /nfs/dbraw/zinc/45/06/91/605450691.db2.gz TXUHUUYNORVCFP-NWDGAFQWSA-N -1 0 371.390 -0.983 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000827313795 605450697 /nfs/dbraw/zinc/45/06/97/605450697.db2.gz TXUHUUYNORVCFP-RYUDHWBXSA-N -1 0 371.390 -0.983 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000827313796 605450633 /nfs/dbraw/zinc/45/06/33/605450633.db2.gz TXUHUUYNORVCFP-VXGBXAGGSA-N -1 0 371.390 -0.983 20 0 FBADRM CCOC(=O)CN1CCCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827313822 604806434 /nfs/dbraw/zinc/80/64/34/604806434.db2.gz UQKILXUEOOJDEN-CYBMUJFWSA-N -1 0 357.407 -0.147 20 0 FBADRM CCOC(=O)CN1CCCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827313823 604806336 /nfs/dbraw/zinc/80/63/36/604806336.db2.gz UQKILXUEOOJDEN-ZDUSSCGKSA-N -1 0 357.407 -0.147 20 0 FBADRM C[C@@H](CC(=O)[O-])C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000827316799 602094640 /nfs/dbraw/zinc/09/46/40/602094640.db2.gz FWSDDZKLINWKTJ-JTQLQIEISA-N -1 0 369.399 -0.144 20 0 FBADRM C[C@H](CC(=O)[O-])C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000827316800 602094794 /nfs/dbraw/zinc/09/47/94/602094794.db2.gz FWSDDZKLINWKTJ-SNVBAGLBSA-N -1 0 369.399 -0.144 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H]2CNC(=O)[O-])CC1 ZINC000827326027 603147629 /nfs/dbraw/zinc/14/76/29/603147629.db2.gz BDMNMIAORUKIFU-LLVKDONJSA-N -1 0 364.424 -0.263 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@H]2CNC(=O)[O-])CC1 ZINC000827326030 603147574 /nfs/dbraw/zinc/14/75/74/603147574.db2.gz BDMNMIAORUKIFU-NSHDSACASA-N -1 0 364.424 -0.263 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)CC1 ZINC000827326362 604233906 /nfs/dbraw/zinc/23/39/06/604233906.db2.gz CRQRXHAZBSRCMC-LLVKDONJSA-N -1 0 364.424 -0.311 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CC[C@H](N(C)C(=O)[O-])C2)CC1 ZINC000827326366 604234151 /nfs/dbraw/zinc/23/41/51/604234151.db2.gz CRQRXHAZBSRCMC-NSHDSACASA-N -1 0 364.424 -0.311 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N(C)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000827326840 603473480 /nfs/dbraw/zinc/47/34/80/603473480.db2.gz GASLZIFPORNGHF-LLVKDONJSA-N -1 0 364.424 -0.311 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N(C)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000827326842 603473525 /nfs/dbraw/zinc/47/35/25/603473525.db2.gz GASLZIFPORNGHF-NSHDSACASA-N -1 0 364.424 -0.311 20 0 FBADRM CCOC(=O)NCCC(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000827326885 603954332 /nfs/dbraw/zinc/95/43/32/603954332.db2.gz GWZBRLIZVFACBP-UHFFFAOYSA-N -1 0 355.355 -0.321 20 0 FBADRM CCOC(=O)N1CCN(CN2C[C@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000827327113 603594763 /nfs/dbraw/zinc/59/47/63/603594763.db2.gz HYADUBYMBSWFFL-GFCCVEGCSA-N -1 0 355.395 -0.182 20 0 FBADRM CCOC(=O)N1CCN(CN2C[C@@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000827327114 603594911 /nfs/dbraw/zinc/59/49/11/603594911.db2.gz HYADUBYMBSWFFL-LBPRGKRZSA-N -1 0 355.395 -0.182 20 0 FBADRM CCOC(=O)N1CCN(C(=O)CN2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)CC1 ZINC000827327154 604604479 /nfs/dbraw/zinc/60/44/79/604604479.db2.gz ILILRPLTSXFILS-CHWSQXEVSA-N -1 0 372.422 -0.356 20 0 FBADRM CCOC(=O)N1CCN(C(=O)CN2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)CC1 ZINC000827327157 604604787 /nfs/dbraw/zinc/60/47/87/604604787.db2.gz ILILRPLTSXFILS-OLZOCXBDSA-N -1 0 372.422 -0.356 20 0 FBADRM CCOC(=O)N1CCN(C(=O)CN2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)CC1 ZINC000827327160 604604997 /nfs/dbraw/zinc/60/49/97/604604997.db2.gz ILILRPLTSXFILS-QWHCGFSZSA-N -1 0 372.422 -0.356 20 0 FBADRM CCOC(=O)N1CCN(C(=O)CN2CCO[C@H]([C@H](C)NC(=O)[O-])C2)CC1 ZINC000827327162 604604438 /nfs/dbraw/zinc/60/44/38/604604438.db2.gz ILILRPLTSXFILS-STQMWFEESA-N -1 0 372.422 -0.356 20 0 FBADRM CCOC(=O)N1CCN(C(=O)COC(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827328523 605203474 /nfs/dbraw/zinc/20/34/74/605203474.db2.gz OJPOACTXIOKJFB-LLVKDONJSA-N -1 0 373.362 -0.791 20 0 FBADRM CCOC(=O)N1CCN(C(=O)COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827328524 605203503 /nfs/dbraw/zinc/20/35/03/605203503.db2.gz OJPOACTXIOKJFB-NSHDSACASA-N -1 0 373.362 -0.791 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CCN(C(=O)[O-])[C@H](C)C2)CC1 ZINC000827328604 603121816 /nfs/dbraw/zinc/12/18/16/603121816.db2.gz QIJMRZQGYUNJCW-LLVKDONJSA-N -1 0 364.424 -0.311 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)CC1 ZINC000827328605 603121967 /nfs/dbraw/zinc/12/19/67/603121967.db2.gz QIJMRZQGYUNJCW-NSHDSACASA-N -1 0 364.424 -0.311 20 0 FBADRM CCOC(=O)N1CCN(C(=O)COC(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000827329217 603449884 /nfs/dbraw/zinc/44/98/84/603449884.db2.gz UYKMYGYYSRBTEM-UHFFFAOYSA-N -1 0 373.362 -0.791 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)NCC(C)(C)NC(=O)[O-])CC1 ZINC000827329226 603470464 /nfs/dbraw/zinc/47/04/64/603470464.db2.gz VHZQVSDPIDJZMV-UHFFFAOYSA-N -1 0 352.413 -0.359 20 0 FBADRM CCOC(=O)N1CCN(C(=O)COC(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000827329249 604097632 /nfs/dbraw/zinc/09/76/32/604097632.db2.gz VUBDMJZOPUZCCJ-UHFFFAOYSA-N -1 0 357.363 -0.170 20 0 FBADRM C[C@H](CC(=O)[O-])C(=O)OCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000827332467 602280758 /nfs/dbraw/zinc/28/07/58/602280758.db2.gz BZIJZWUJLGIBJG-SECBINFHSA-N -1 0 370.383 -0.123 20 0 FBADRM C[C@@H](CC(=O)[O-])C(=O)OCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000827332470 602280776 /nfs/dbraw/zinc/28/07/76/602280776.db2.gz BZIJZWUJLGIBJG-VIFPVBQESA-N -1 0 370.383 -0.123 20 0 FBADRM C[C@H](CC(=O)[O-])C(=O)OCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000827333236 602270717 /nfs/dbraw/zinc/27/07/17/602270717.db2.gz IIZKHRLRCLYBGV-GFCCVEGCSA-N -1 0 371.434 -0.301 20 0 FBADRM C[C@@H](CC(=O)[O-])C(=O)OCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000827333237 602270803 /nfs/dbraw/zinc/27/08/03/602270803.db2.gz IIZKHRLRCLYBGV-LBPRGKRZSA-N -1 0 371.434 -0.301 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000827333970 605153669 /nfs/dbraw/zinc/15/36/69/605153669.db2.gz MOMZRVMUDMTFOC-GFCCVEGCSA-N -1 0 370.406 -0.207 20 0 FBADRM C[C@H](CC(=O)[O-])C(=O)OCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000827341322 602275577 /nfs/dbraw/zinc/27/55/77/602275577.db2.gz BMHOCWSMLKBDJA-SECBINFHSA-N -1 0 352.347 -0.522 20 0 FBADRM C[C@@H](CC(=O)[O-])C(=O)OCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000827341323 602275588 /nfs/dbraw/zinc/27/55/88/602275588.db2.gz BMHOCWSMLKBDJA-VIFPVBQESA-N -1 0 352.347 -0.522 20 0 FBADRM CCOC(=O)c1ccc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)o1 ZINC000827344087 603713464 /nfs/dbraw/zinc/71/34/64/603713464.db2.gz VGHKJKDKPLZCKD-UHFFFAOYSA-N -1 0 353.331 -0.105 20 0 FBADRM CCOC(=O)c1cc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)cn1C ZINC000827344292 603995265 /nfs/dbraw/zinc/99/52/65/603995265.db2.gz WEDYYSUBNKWBST-UHFFFAOYSA-N -1 0 352.347 -0.038 20 0 FBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)C(=O)Nc2cccn(C)c2=O)CC1 ZINC000827353989 601629338 /nfs/dbraw/zinc/62/93/38/601629338.db2.gz AHSKAKDIYFKCBJ-LLVKDONJSA-N -1 0 350.375 -0.669 20 0 FBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C(=O)Nc2cccn(C)c2=O)CC1 ZINC000827353990 601629204 /nfs/dbraw/zinc/62/92/04/601629204.db2.gz AHSKAKDIYFKCBJ-NSHDSACASA-N -1 0 350.375 -0.669 20 0 FBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)c2)CC1 ZINC000827354140 601173448 /nfs/dbraw/zinc/17/34/48/601173448.db2.gz CGRWYJQYYAACKJ-LLVKDONJSA-N -1 0 362.386 -0.269 20 0 FBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)c2)CC1 ZINC000827354141 601173614 /nfs/dbraw/zinc/17/36/14/601173614.db2.gz CGRWYJQYYAACKJ-NSHDSACASA-N -1 0 362.386 -0.269 20 0 FBADRM CCOC(=O)c1nnc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)s1 ZINC000827354425 605163465 /nfs/dbraw/zinc/16/34/65/605163465.db2.gz BCVKYPLAMDOVEQ-UHFFFAOYSA-N -1 0 357.348 -0.525 20 0 FBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000827361634 601121915 /nfs/dbraw/zinc/12/19/15/601121915.db2.gz DBNZCQYQXMQOPM-CHWSQXEVSA-N -1 0 361.464 -0.887 20 0 FBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000827361637 601121687 /nfs/dbraw/zinc/12/16/87/601121687.db2.gz DBNZCQYQXMQOPM-OLZOCXBDSA-N -1 0 361.464 -0.887 20 0 FBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000827361653 601121752 /nfs/dbraw/zinc/12/17/52/601121752.db2.gz DBNZCQYQXMQOPM-QWHCGFSZSA-N -1 0 361.464 -0.887 20 0 FBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000827361655 601121798 /nfs/dbraw/zinc/12/17/98/601121798.db2.gz DBNZCQYQXMQOPM-STQMWFEESA-N -1 0 361.464 -0.887 20 0 FBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 ZINC000827361751 601099555 /nfs/dbraw/zinc/09/95/55/601099555.db2.gz FHGAXEJDKXNHMY-NEPJUHHUSA-N -1 0 364.489 -0.086 20 0 FBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000827361758 601099083 /nfs/dbraw/zinc/09/90/83/601099083.db2.gz FHGAXEJDKXNHMY-NWDGAFQWSA-N -1 0 364.489 -0.086 20 0 FBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 ZINC000827361760 601099472 /nfs/dbraw/zinc/09/94/72/601099472.db2.gz FHGAXEJDKXNHMY-RYUDHWBXSA-N -1 0 364.489 -0.086 20 0 FBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000827361762 601099326 /nfs/dbraw/zinc/09/93/26/601099326.db2.gz FHGAXEJDKXNHMY-VXGBXAGGSA-N -1 0 364.489 -0.086 20 0 FBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)CSCC(=O)N2CCOCC2)CC1 ZINC000827363088 601102575 /nfs/dbraw/zinc/10/25/75/601102575.db2.gz ZCCXKMGHJVXVHH-CYBMUJFWSA-N -1 0 373.475 -0.414 20 0 FBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CSCC(=O)N2CCOCC2)CC1 ZINC000827363101 601102432 /nfs/dbraw/zinc/10/24/32/601102432.db2.gz ZCCXKMGHJVXVHH-ZDUSSCGKSA-N -1 0 373.475 -0.414 20 0 FBADRM CCO[C@@H](C)c1noc(CN(C)C(=O)CN2CCN(C(=O)[O-])CC2=O)n1 ZINC000827372022 603020625 /nfs/dbraw/zinc/02/06/25/603020625.db2.gz NNKODIZQZWTVRP-JTQLQIEISA-N -1 0 369.378 -0.052 20 0 FBADRM CCO[C@H](C)c1noc(CN(C)C(=O)CN2CCN(C(=O)[O-])CC2=O)n1 ZINC000827372025 603020750 /nfs/dbraw/zinc/02/07/50/603020750.db2.gz NNKODIZQZWTVRP-SNVBAGLBSA-N -1 0 369.378 -0.052 20 0 FBADRM CCO[C@H](CC)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000827373369 604059519 /nfs/dbraw/zinc/05/95/19/604059519.db2.gz WSFUSWGNIUZHQG-GFCCVEGCSA-N -1 0 363.436 -0.362 20 0 FBADRM CCO[C@@H](CC)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000827373370 604059941 /nfs/dbraw/zinc/05/99/41/604059941.db2.gz WSFUSWGNIUZHQG-LBPRGKRZSA-N -1 0 363.436 -0.362 20 0 FBADRM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)CC1 ZINC000827375083 601503902 /nfs/dbraw/zinc/50/39/02/601503902.db2.gz PJXVPZMRRLPKNZ-LLVKDONJSA-N -1 0 373.431 -0.050 20 0 FBADRM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)CC1 ZINC000827375084 601503762 /nfs/dbraw/zinc/50/37/62/601503762.db2.gz PJXVPZMRRLPKNZ-NSHDSACASA-N -1 0 373.431 -0.050 20 0 FBADRM C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1 ZINC000827385145 601259710 /nfs/dbraw/zinc/25/97/10/601259710.db2.gz HGWVUYNOGFAANG-LLVKDONJSA-N -1 0 368.477 -0.626 20 0 FBADRM C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1 ZINC000827385146 601259644 /nfs/dbraw/zinc/25/96/44/601259644.db2.gz HGWVUYNOGFAANG-NSHDSACASA-N -1 0 368.477 -0.626 20 0 FBADRM C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000827385161 601259693 /nfs/dbraw/zinc/25/96/93/601259693.db2.gz HSZIPKZDQOHNQJ-LLVKDONJSA-N -1 0 355.416 -0.045 20 0 FBADRM C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000827385162 601259695 /nfs/dbraw/zinc/25/96/95/601259695.db2.gz HSZIPKZDQOHNQJ-NSHDSACASA-N -1 0 355.416 -0.045 20 0 FBADRM C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000827385615 601260118 /nfs/dbraw/zinc/26/01/18/601260118.db2.gz LQXLXPGOJRINPF-JTQLQIEISA-N -1 0 358.420 -0.707 20 0 FBADRM C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000827385616 601260003 /nfs/dbraw/zinc/26/00/03/601260003.db2.gz LQXLXPGOJRINPF-SNVBAGLBSA-N -1 0 358.420 -0.707 20 0 FBADRM C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)CCCS(C)(=O)=O)CC1 ZINC000827386832 601258145 /nfs/dbraw/zinc/25/81/45/601258145.db2.gz YKLWKSXGVQVQQS-LLVKDONJSA-N -1 0 356.466 -0.768 20 0 FBADRM C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)CCCS(C)(=O)=O)CC1 ZINC000827386837 601258104 /nfs/dbraw/zinc/25/81/04/601258104.db2.gz YKLWKSXGVQVQQS-NSHDSACASA-N -1 0 356.466 -0.768 20 0 FBADRM CCOC[C@@H](O)CN1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827387851 604842669 /nfs/dbraw/zinc/84/26/69/604842669.db2.gz JUWNUCLLXHQZGG-KBPBESRZSA-N -1 0 359.423 -0.703 20 0 FBADRM CCOC[C@H](O)CN1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827387852 604842399 /nfs/dbraw/zinc/84/23/99/604842399.db2.gz JUWNUCLLXHQZGG-KGLIPLIRSA-N -1 0 359.423 -0.703 20 0 FBADRM CCOC[C@@H](O)CN1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827387853 604842543 /nfs/dbraw/zinc/84/25/43/604842543.db2.gz JUWNUCLLXHQZGG-UONOGXRCSA-N -1 0 359.423 -0.703 20 0 FBADRM CCOC[C@H](O)CN1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827387854 604842666 /nfs/dbraw/zinc/84/26/66/604842666.db2.gz JUWNUCLLXHQZGG-ZIAGYGMSSA-N -1 0 359.423 -0.703 20 0 FBADRM CCOC[C@H](O)CN1CCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000827388001 605298905 /nfs/dbraw/zinc/29/89/05/605298905.db2.gz KRPHCWYVGYGDMO-CABCVRRESA-N -1 0 373.450 -0.313 20 0 FBADRM CCOC[C@@H](O)CN1CCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000827388005 605298829 /nfs/dbraw/zinc/29/88/29/605298829.db2.gz KRPHCWYVGYGDMO-GJZGRUSLSA-N -1 0 373.450 -0.313 20 0 FBADRM CCOC[C@H](O)CN1CCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000827388007 605298897 /nfs/dbraw/zinc/29/88/97/605298897.db2.gz KRPHCWYVGYGDMO-HUUCEWRRSA-N -1 0 373.450 -0.313 20 0 FBADRM CCOC[C@@H](O)CN1CCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000827388011 605298719 /nfs/dbraw/zinc/29/87/19/605298719.db2.gz KRPHCWYVGYGDMO-LSDHHAIUSA-N -1 0 373.450 -0.313 20 0 FBADRM CCO[C@H]1C[C@H]1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000827390290 603552032 /nfs/dbraw/zinc/55/20/32/603552032.db2.gz YROWKMHBZIPVLP-NEPJUHHUSA-N -1 0 361.420 -0.752 20 0 FBADRM CCO[C@@H]1C[C@@H]1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000827390295 603552256 /nfs/dbraw/zinc/55/22/56/603552256.db2.gz YROWKMHBZIPVLP-NWDGAFQWSA-N -1 0 361.420 -0.752 20 0 FBADRM CCO[C@H]1C[C@@H]1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000827390296 603552210 /nfs/dbraw/zinc/55/22/10/603552210.db2.gz YROWKMHBZIPVLP-RYUDHWBXSA-N -1 0 361.420 -0.752 20 0 FBADRM CCO[C@@H]1C[C@H]1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000827390297 603552129 /nfs/dbraw/zinc/55/21/29/603552129.db2.gz YROWKMHBZIPVLP-VXGBXAGGSA-N -1 0 361.420 -0.752 20 0 FBADRM CCOCCCC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000827393650 603553717 /nfs/dbraw/zinc/55/37/17/603553717.db2.gz CZXXZEKITXEROR-UHFFFAOYSA-N -1 0 363.436 -0.361 20 0 FBADRM C[C@@H](CC(N)=O)NC(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000827398312 602090051 /nfs/dbraw/zinc/09/00/51/602090051.db2.gz WKMFPKVBRFGINN-JTQLQIEISA-N -1 0 371.415 -0.251 20 0 FBADRM C[C@H](CC(N)=O)NC(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000827398313 602090126 /nfs/dbraw/zinc/09/01/26/602090126.db2.gz WKMFPKVBRFGINN-SNVBAGLBSA-N -1 0 371.415 -0.251 20 0 FBADRM CCOCCN1CCN(CN2C[C@@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000827399541 603602248 /nfs/dbraw/zinc/60/22/48/603602248.db2.gz JIZXCXNTHQAFOL-AWEZNQCLSA-N -1 0 355.439 -0.302 20 0 FBADRM CCOCCN1CCN(CN2C[C@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000827399542 603602132 /nfs/dbraw/zinc/60/21/32/603602132.db2.gz JIZXCXNTHQAFOL-CQSZACIVSA-N -1 0 355.439 -0.302 20 0 FBADRM CCOCCCNC(=O)C1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000827400224 603790208 /nfs/dbraw/zinc/79/02/08/603790208.db2.gz ZJMMQRLLMCLVQT-KBPBESRZSA-N -1 0 371.434 -0.119 20 0 FBADRM CCOCCCNC(=O)C1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000827400226 603790255 /nfs/dbraw/zinc/79/02/55/603790255.db2.gz ZJMMQRLLMCLVQT-KGLIPLIRSA-N -1 0 371.434 -0.119 20 0 FBADRM CCOCCCNC(=O)C1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000827400227 603790014 /nfs/dbraw/zinc/79/00/14/603790014.db2.gz ZJMMQRLLMCLVQT-UONOGXRCSA-N -1 0 371.434 -0.119 20 0 FBADRM CCOCCCNC(=O)C1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000827400228 603789941 /nfs/dbraw/zinc/78/99/41/603789941.db2.gz ZJMMQRLLMCLVQT-ZIAGYGMSSA-N -1 0 371.434 -0.119 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000827403873 603989581 /nfs/dbraw/zinc/98/95/81/603989581.db2.gz AVHOTZUTNNAVOU-UHFFFAOYSA-N -1 0 351.425 -0.363 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCN(C(=O)[O-])CC1(C)C ZINC000827403895 603993830 /nfs/dbraw/zinc/99/38/30/603993830.db2.gz BFYPIFCYSYEGSU-UHFFFAOYSA-N -1 0 351.425 -0.457 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000827404119 603832996 /nfs/dbraw/zinc/83/29/96/603832996.db2.gz CGRBULTZSLAZEZ-GFCCVEGCSA-N -1 0 365.452 -0.209 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000827404120 603833487 /nfs/dbraw/zinc/83/34/87/603833487.db2.gz CGRBULTZSLAZEZ-LBPRGKRZSA-N -1 0 365.452 -0.209 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000827404345 603982066 /nfs/dbraw/zinc/98/20/66/603982066.db2.gz DRCAQBIVSJRSQL-UHFFFAOYSA-N -1 0 365.452 -0.209 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000827404391 603982058 /nfs/dbraw/zinc/98/20/58/603982058.db2.gz FHRFHNJKEKJIMK-LLVKDONJSA-N -1 0 351.425 -0.599 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000827404392 603982252 /nfs/dbraw/zinc/98/22/52/603982252.db2.gz FHRFHNJKEKJIMK-NSHDSACASA-N -1 0 351.425 -0.599 20 0 FBADRM CCOCCNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000827404527 604875657 /nfs/dbraw/zinc/87/56/57/604875657.db2.gz GDQAPYSORNIDCF-UHFFFAOYSA-N -1 0 364.424 -0.958 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)NC[C@H]1CCCCN1C(=O)[O-] ZINC000827404668 603967413 /nfs/dbraw/zinc/96/74/13/603967413.db2.gz GTXQMWAIGOONPB-LLVKDONJSA-N -1 0 351.425 -0.409 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)NC[C@@H]1CCCCN1C(=O)[O-] ZINC000827404670 603967209 /nfs/dbraw/zinc/96/72/09/603967209.db2.gz GTXQMWAIGOONPB-NSHDSACASA-N -1 0 351.425 -0.409 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000827404678 603976426 /nfs/dbraw/zinc/97/64/26/603976426.db2.gz GUVDJVJBLRVCCK-LLVKDONJSA-N -1 0 351.425 -0.552 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827404682 603976455 /nfs/dbraw/zinc/97/64/55/603976455.db2.gz GUVDJVJBLRVCCK-NSHDSACASA-N -1 0 351.425 -0.552 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC(CNC(=O)[O-])CC1 ZINC000827404689 603974012 /nfs/dbraw/zinc/97/40/12/603974012.db2.gz GYXMTWCKWVJOSA-UHFFFAOYSA-N -1 0 351.425 -0.552 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000827404803 603984144 /nfs/dbraw/zinc/98/41/44/603984144.db2.gz IGCHKWNEEDEMAN-UHFFFAOYSA-N -1 0 351.425 -0.457 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827404954 604250228 /nfs/dbraw/zinc/25/02/28/604250228.db2.gz JUBQVQGGCFVSMX-NEPJUHHUSA-N -1 0 365.452 -0.163 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000827404958 604250258 /nfs/dbraw/zinc/25/02/58/604250258.db2.gz JUBQVQGGCFVSMX-NWDGAFQWSA-N -1 0 365.452 -0.163 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000827404959 604250317 /nfs/dbraw/zinc/25/03/17/604250317.db2.gz JUBQVQGGCFVSMX-RYUDHWBXSA-N -1 0 365.452 -0.163 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827404961 604250545 /nfs/dbraw/zinc/25/05/45/604250545.db2.gz JUBQVQGGCFVSMX-VXGBXAGGSA-N -1 0 365.452 -0.163 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000827404986 603976424 /nfs/dbraw/zinc/97/64/24/603976424.db2.gz KDPIGKBVRFNNIL-UHFFFAOYSA-N -1 0 351.425 -0.552 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000827405014 603976365 /nfs/dbraw/zinc/97/63/65/603976365.db2.gz KKGPRPPHADWARN-LLVKDONJSA-N -1 0 351.425 -0.457 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000827405015 603976495 /nfs/dbraw/zinc/97/64/95/603976495.db2.gz KKGPRPPHADWARN-NSHDSACASA-N -1 0 351.425 -0.457 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N(C)C1CCN(C(=O)[O-])CC1 ZINC000827405243 603830567 /nfs/dbraw/zinc/83/05/67/603830567.db2.gz MIQCAUJFUZSUIM-UHFFFAOYSA-N -1 0 351.425 -0.457 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000827405284 603964979 /nfs/dbraw/zinc/96/49/79/603964979.db2.gz MZMLDMUYBMZHEU-LLVKDONJSA-N -1 0 351.425 -0.552 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000827405286 603965121 /nfs/dbraw/zinc/96/51/21/603965121.db2.gz MZMLDMUYBMZHEU-NSHDSACASA-N -1 0 351.425 -0.552 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827405375 605462754 /nfs/dbraw/zinc/46/27/54/605462754.db2.gz OPDZSILCUAGFAC-GFCCVEGCSA-N -1 0 363.436 -0.314 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827405379 605462163 /nfs/dbraw/zinc/46/21/63/605462163.db2.gz OPDZSILCUAGFAC-LBPRGKRZSA-N -1 0 363.436 -0.314 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000827405537 603993586 /nfs/dbraw/zinc/99/35/86/603993586.db2.gz QWMOTQGKRBVWNL-YOGCLGLASA-N -1 0 363.436 -0.268 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000827405585 605459338 /nfs/dbraw/zinc/45/93/38/605459338.db2.gz RSGMFXWNHXXOTM-GHMZBOCLSA-N -1 0 351.425 -0.411 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000827405586 605459102 /nfs/dbraw/zinc/45/91/02/605459102.db2.gz RSGMFXWNHXXOTM-MNOVXSKESA-N -1 0 351.425 -0.411 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C ZINC000827405587 605459010 /nfs/dbraw/zinc/45/90/10/605459010.db2.gz RSGMFXWNHXXOTM-QWRGUYRKSA-N -1 0 351.425 -0.411 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C ZINC000827405588 605459251 /nfs/dbraw/zinc/45/92/51/605459251.db2.gz RSGMFXWNHXXOTM-WDEREUQCSA-N -1 0 351.425 -0.411 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1 ZINC000827405604 603986720 /nfs/dbraw/zinc/98/67/20/603986720.db2.gz SIPUFHZUKDVMJB-GHMZBOCLSA-N -1 0 351.425 -0.459 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000827405605 603986954 /nfs/dbraw/zinc/98/69/54/603986954.db2.gz SIPUFHZUKDVMJB-PHIMTYICSA-N -1 0 351.425 -0.459 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000827405606 603986526 /nfs/dbraw/zinc/98/65/26/603986526.db2.gz SIPUFHZUKDVMJB-QWRGUYRKSA-N -1 0 351.425 -0.459 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000827405607 603993695 /nfs/dbraw/zinc/99/36/95/603993695.db2.gz SJAISPNPFMSDOE-LLVKDONJSA-N -1 0 351.425 -0.457 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@H]1CN(C)C(=O)[O-] ZINC000827405608 603993634 /nfs/dbraw/zinc/99/36/34/603993634.db2.gz SJAISPNPFMSDOE-NSHDSACASA-N -1 0 351.425 -0.457 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000827405670 603991122 /nfs/dbraw/zinc/99/11/22/603991122.db2.gz UILXADROKFHXFW-GHMZBOCLSA-N -1 0 351.425 -0.553 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000827405672 603991218 /nfs/dbraw/zinc/99/12/18/603991218.db2.gz UILXADROKFHXFW-MNOVXSKESA-N -1 0 351.425 -0.553 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000827405674 603991446 /nfs/dbraw/zinc/99/14/46/603991446.db2.gz UILXADROKFHXFW-QWRGUYRKSA-N -1 0 351.425 -0.553 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000827405676 603991226 /nfs/dbraw/zinc/99/12/26/603991226.db2.gz UILXADROKFHXFW-WDEREUQCSA-N -1 0 351.425 -0.553 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000827405693 603982062 /nfs/dbraw/zinc/98/20/62/603982062.db2.gz ULURAYIDESAETK-LLVKDONJSA-N -1 0 365.452 -0.163 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000827405695 603982055 /nfs/dbraw/zinc/98/20/55/603982055.db2.gz ULURAYIDESAETK-NSHDSACASA-N -1 0 365.452 -0.163 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000827405896 603999499 /nfs/dbraw/zinc/99/94/99/603999499.db2.gz VRKSOTRGZYJMLF-UHFFFAOYSA-N -1 0 365.452 -0.021 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N[C@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000827405897 603976350 /nfs/dbraw/zinc/97/63/50/603976350.db2.gz VWXLFASZSOXMLR-NEPJUHHUSA-N -1 0 365.452 -0.163 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827405898 603976466 /nfs/dbraw/zinc/97/64/66/603976466.db2.gz VWXLFASZSOXMLR-NWDGAFQWSA-N -1 0 365.452 -0.163 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000827405899 603976543 /nfs/dbraw/zinc/97/65/43/603976543.db2.gz VWXLFASZSOXMLR-RYUDHWBXSA-N -1 0 365.452 -0.163 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827405900 603976362 /nfs/dbraw/zinc/97/63/62/603976362.db2.gz VWXLFASZSOXMLR-VXGBXAGGSA-N -1 0 365.452 -0.163 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)[O-] ZINC000827405915 603998111 /nfs/dbraw/zinc/99/81/11/603998111.db2.gz WIMQNAWQWDGMLP-NEPJUHHUSA-N -1 0 365.452 -0.163 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CNC(=O)[O-] ZINC000827405917 603998015 /nfs/dbraw/zinc/99/80/15/603998015.db2.gz WIMQNAWQWDGMLP-NWDGAFQWSA-N -1 0 365.452 -0.163 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)[O-] ZINC000827405919 603998051 /nfs/dbraw/zinc/99/80/51/603998051.db2.gz WIMQNAWQWDGMLP-RYUDHWBXSA-N -1 0 365.452 -0.163 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)[O-] ZINC000827405921 603997941 /nfs/dbraw/zinc/99/79/41/603997941.db2.gz WIMQNAWQWDGMLP-VXGBXAGGSA-N -1 0 365.452 -0.163 20 0 FBADRM CCOCCO[C@@H](C)C(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000827405927 603957083 /nfs/dbraw/zinc/95/70/83/603957083.db2.gz WNAQHEWQEPJWBJ-JTQLQIEISA-N -1 0 356.383 -0.015 20 0 FBADRM CCOCCO[C@H](C)C(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000827405931 603957046 /nfs/dbraw/zinc/95/70/46/603957046.db2.gz WNAQHEWQEPJWBJ-SNVBAGLBSA-N -1 0 356.383 -0.015 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000827406001 603973697 /nfs/dbraw/zinc/97/36/97/603973697.db2.gz XMUZUVNQTGUGKY-NEPJUHHUSA-N -1 0 365.452 -0.021 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000827406003 603973778 /nfs/dbraw/zinc/97/37/78/603973778.db2.gz XMUZUVNQTGUGKY-NWDGAFQWSA-N -1 0 365.452 -0.021 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000827406004 603973888 /nfs/dbraw/zinc/97/38/88/603973888.db2.gz XMUZUVNQTGUGKY-RYUDHWBXSA-N -1 0 365.452 -0.021 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000827406005 603974110 /nfs/dbraw/zinc/97/41/10/603974110.db2.gz XMUZUVNQTGUGKY-VXGBXAGGSA-N -1 0 365.452 -0.021 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCCC[C@@H]1CNC(=O)[O-] ZINC000827406248 603968975 /nfs/dbraw/zinc/96/89/75/603968975.db2.gz ZITMJGYMQGNDGB-LLVKDONJSA-N -1 0 351.425 -0.409 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCCC[C@H]1CNC(=O)[O-] ZINC000827406250 603969108 /nfs/dbraw/zinc/96/91/08/603969108.db2.gz ZITMJGYMQGNDGB-NSHDSACASA-N -1 0 351.425 -0.409 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000827406290 603999529 /nfs/dbraw/zinc/99/95/29/603999529.db2.gz ZVGVIQYWWGUAEL-NEPJUHHUSA-N -1 0 363.436 -0.314 20 0 FBADRM C[C@@H](CCO)NC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000827417392 601364776 /nfs/dbraw/zinc/36/47/76/601364776.db2.gz GZCOXPIILSADFG-JTQLQIEISA-N -1 0 351.359 -0.283 20 0 FBADRM C[C@H](CCO)NC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000827417393 601364551 /nfs/dbraw/zinc/36/45/51/601364551.db2.gz GZCOXPIILSADFG-SNVBAGLBSA-N -1 0 351.359 -0.283 20 0 FBADRM C[C@H](CN(C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)C1CC1)C(=O)[O-] ZINC000827431940 600923267 /nfs/dbraw/zinc/92/32/67/600923267.db2.gz AYBKMZVZQRYBIA-MRVPVSSYSA-N -1 0 372.403 -0.896 20 0 FBADRM C[C@@H](CN(C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)C1CC1)C(=O)[O-] ZINC000827431941 600923028 /nfs/dbraw/zinc/92/30/28/600923028.db2.gz AYBKMZVZQRYBIA-QMMMGPOBSA-N -1 0 372.403 -0.896 20 0 FBADRM C[C@H](CN(C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)C1CC1)C(=O)[O-] ZINC000827431942 601675303 /nfs/dbraw/zinc/67/53/03/601675303.db2.gz AYFBVEDOEJTPNR-NXEZZACHSA-N -1 0 358.420 -0.201 20 0 FBADRM C[C@@H](CN(C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)C1CC1)C(=O)[O-] ZINC000827431943 601675300 /nfs/dbraw/zinc/67/53/00/601675300.db2.gz AYFBVEDOEJTPNR-UWVGGRQHSA-N -1 0 358.420 -0.201 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000827431944 601675336 /nfs/dbraw/zinc/67/53/36/601675336.db2.gz AYFBVEDOEJTPNR-VHSXEESVSA-N -1 0 358.420 -0.201 20 0 FBADRM C[C@H](CN(C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)C1CC1)C(=O)[O-] ZINC000827431945 601675316 /nfs/dbraw/zinc/67/53/16/601675316.db2.gz AYFBVEDOEJTPNR-ZJUUUORDSA-N -1 0 358.420 -0.201 20 0 FBADRM C[C@H](CN(C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)C1CC1)C(=O)[O-] ZINC000827432414 600923260 /nfs/dbraw/zinc/92/32/60/600923260.db2.gz LQYSVDHRRAJBTH-MRVPVSSYSA-N -1 0 373.387 -0.632 20 0 FBADRM C[C@@H](CN(C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)C1CC1)C(=O)[O-] ZINC000827432415 600923247 /nfs/dbraw/zinc/92/32/47/600923247.db2.gz LQYSVDHRRAJBTH-QMMMGPOBSA-N -1 0 373.387 -0.632 20 0 FBADRM CCOc1cccc(CCNC(=O)CN2CCN(C(=O)[O-])CC2=O)n1 ZINC000827449380 604514243 /nfs/dbraw/zinc/51/42/43/604514243.db2.gz YWBXBKVXAQADSX-UHFFFAOYSA-N -1 0 350.375 -0.039 20 0 FBADRM C[C@H](CNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1)C(=O)[O-] ZINC000827460739 601166859 /nfs/dbraw/zinc/16/68/59/601166859.db2.gz ALCXKDOSIYTVRH-SECBINFHSA-N -1 0 362.342 -0.486 20 0 FBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1)C(=O)[O-] ZINC000827460740 601166809 /nfs/dbraw/zinc/16/68/09/601166809.db2.gz ALCXKDOSIYTVRH-VIFPVBQESA-N -1 0 362.342 -0.486 20 0 FBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1)C(=O)[O-] ZINC000827460987 600857176 /nfs/dbraw/zinc/85/71/76/600857176.db2.gz JDNBJJAFNLFMLK-JTQLQIEISA-N -1 0 350.375 -0.038 20 0 FBADRM C[C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1)C(=O)[O-] ZINC000827460988 600857105 /nfs/dbraw/zinc/85/71/05/600857105.db2.gz JDNBJJAFNLFMLK-SNVBAGLBSA-N -1 0 350.375 -0.038 20 0 FBADRM C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000827461315 601287430 /nfs/dbraw/zinc/28/74/30/601287430.db2.gz SYICZZQKTKLDCU-CYBMUJFWSA-N -1 0 373.417 -0.302 20 0 FBADRM C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000827461316 601287376 /nfs/dbraw/zinc/28/73/76/601287376.db2.gz SYICZZQKTKLDCU-ZDUSSCGKSA-N -1 0 373.417 -0.302 20 0 FBADRM CCOc1ccnc(N2CCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)CC2)n1 ZINC000827465331 604841004 /nfs/dbraw/zinc/84/10/04/604841004.db2.gz LXSCSCRHJQOIIA-GFCCVEGCSA-N -1 0 365.390 -0.097 20 0 FBADRM CCOc1ccnc(N2CCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)CC2)n1 ZINC000827465332 604841124 /nfs/dbraw/zinc/84/11/24/604841124.db2.gz LXSCSCRHJQOIIA-LBPRGKRZSA-N -1 0 365.390 -0.097 20 0 FBADRM CCOc1ccnc(N2CCN(C(=O)COC3CN(C(=O)[O-])C3)CC2)n1 ZINC000827465874 604001929 /nfs/dbraw/zinc/00/19/29/604001929.db2.gz TXSQRDANHHYVJJ-UHFFFAOYSA-N -1 0 365.390 -0.097 20 0 FBADRM C[C@H](CNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1)C(=O)[O-] ZINC000827466049 601166834 /nfs/dbraw/zinc/16/68/34/601166834.db2.gz HVBIWLAVZIPJLM-SECBINFHSA-N -1 0 362.342 -0.486 20 0 FBADRM C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1)C(=O)[O-] ZINC000827466050 601166893 /nfs/dbraw/zinc/16/68/93/601166893.db2.gz HVBIWLAVZIPJLM-VIFPVBQESA-N -1 0 362.342 -0.486 20 0 FBADRM CCOc1ccnc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])CC2)n1 ZINC000827466415 603760204 /nfs/dbraw/zinc/76/02/04/603760204.db2.gz ZFJVHSGWIBOXDS-NEPJUHHUSA-N -1 0 365.390 -0.363 20 0 FBADRM CCOc1ccnc(N2CCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])CC2)n1 ZINC000827466416 603759902 /nfs/dbraw/zinc/75/99/02/603759902.db2.gz ZFJVHSGWIBOXDS-NWDGAFQWSA-N -1 0 365.390 -0.363 20 0 FBADRM CCOc1ccnc(N2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])CC2)n1 ZINC000827466417 603760257 /nfs/dbraw/zinc/76/02/57/603760257.db2.gz ZFJVHSGWIBOXDS-RYUDHWBXSA-N -1 0 365.390 -0.363 20 0 FBADRM CCOc1ccnc(N2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])CC2)n1 ZINC000827466418 603759686 /nfs/dbraw/zinc/75/96/86/603759686.db2.gz ZFJVHSGWIBOXDS-VXGBXAGGSA-N -1 0 365.390 -0.363 20 0 FBADRM C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)C(=O)[O-] ZINC000827466970 604865997 /nfs/dbraw/zinc/86/59/97/604865997.db2.gz ZGAHYFKRLQIBJX-JTQLQIEISA-N -1 0 365.390 -0.283 20 0 FBADRM C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)C(=O)[O-] ZINC000827466971 604866010 /nfs/dbraw/zinc/86/60/10/604866010.db2.gz ZGAHYFKRLQIBJX-SNVBAGLBSA-N -1 0 365.390 -0.283 20 0 FBADRM CCOc1ncnc2c1CN(C(=O)CN1CCN(C(=O)[O-])CC1=O)CC2 ZINC000827470887 603836796 /nfs/dbraw/zinc/83/67/96/603836796.db2.gz DSHWDHPGABTRRF-UHFFFAOYSA-N -1 0 363.374 -0.418 20 0 FBADRM CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000827471200 603723968 /nfs/dbraw/zinc/72/39/68/603723968.db2.gz HEVRIGSPLKGJQI-UHFFFAOYSA-N -1 0 357.388 -0.056 20 0 FBADRM CCS(=O)(=O)C[C@H](C)NC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827471549 604561019 /nfs/dbraw/zinc/56/10/19/604561019.db2.gz LGIMGIJSIXCQJW-AXFHLTTASA-N -1 0 351.425 -0.124 20 0 FBADRM CCS(=O)(=O)C[C@H](C)NC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000827471550 604561419 /nfs/dbraw/zinc/56/14/19/604561419.db2.gz LGIMGIJSIXCQJW-DCAQKATOSA-N -1 0 351.425 -0.124 20 0 FBADRM CCS(=O)(=O)C[C@H](C)NC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000827471551 604560978 /nfs/dbraw/zinc/56/09/78/604560978.db2.gz LGIMGIJSIXCQJW-GARJFASQSA-N -1 0 351.425 -0.124 20 0 FBADRM CCS(=O)(=O)C[C@H](C)NC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827471552 604562085 /nfs/dbraw/zinc/56/20/85/604562085.db2.gz LGIMGIJSIXCQJW-HBNTYKKESA-N -1 0 351.425 -0.124 20 0 FBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000827474774 603766784 /nfs/dbraw/zinc/76/67/84/603766784.db2.gz AHCGWRDOHJMCHL-UHFFFAOYSA-N -1 0 363.436 -0.362 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827474794 605262922 /nfs/dbraw/zinc/26/29/22/605262922.db2.gz AMOMNYBSGSGYMY-GFCCVEGCSA-N -1 0 365.452 -0.067 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000827474795 605262826 /nfs/dbraw/zinc/26/28/26/605262826.db2.gz AMOMNYBSGSGYMY-LBPRGKRZSA-N -1 0 365.452 -0.067 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])CC1 ZINC000827474878 605631966 /nfs/dbraw/zinc/63/19/66/605631966.db2.gz BVUUONMGBIQOCU-LLVKDONJSA-N -1 0 365.477 -0.034 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)C[C@H]2CSCCN2C(=O)[O-])CC1 ZINC000827474879 605632091 /nfs/dbraw/zinc/63/20/91/605632091.db2.gz BVUUONMGBIQOCU-NSHDSACASA-N -1 0 365.477 -0.034 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000827475042 605629360 /nfs/dbraw/zinc/62/93/60/605629360.db2.gz DWFUGQPDULJZHU-JTQLQIEISA-N -1 0 353.466 -0.083 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000827475043 605629237 /nfs/dbraw/zinc/62/92/37/605629237.db2.gz DWFUGQPDULJZHU-SNVBAGLBSA-N -1 0 353.466 -0.083 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)CN2CCC(NC(=O)[O-])CC2)CC1 ZINC000827475077 605678550 /nfs/dbraw/zinc/67/85/50/605678550.db2.gz FTAFNJPBFFFPCA-UHFFFAOYSA-N -1 0 362.452 -0.788 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827475407 604546395 /nfs/dbraw/zinc/54/63/95/604546395.db2.gz IVDNACKUGOUMDZ-GHMZBOCLSA-N -1 0 366.440 -0.618 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827475408 604546561 /nfs/dbraw/zinc/54/65/61/604546561.db2.gz IVDNACKUGOUMDZ-MNOVXSKESA-N -1 0 366.440 -0.618 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000827475409 604546599 /nfs/dbraw/zinc/54/65/99/604546599.db2.gz IVDNACKUGOUMDZ-QWRGUYRKSA-N -1 0 366.440 -0.618 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000827475410 604546618 /nfs/dbraw/zinc/54/66/18/604546618.db2.gz IVDNACKUGOUMDZ-WDEREUQCSA-N -1 0 366.440 -0.618 20 0 FBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827475683 604861545 /nfs/dbraw/zinc/86/15/45/604861545.db2.gz NOPJBWQBCYJNIY-GFCCVEGCSA-N -1 0 363.436 -0.362 20 0 FBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827475684 604861334 /nfs/dbraw/zinc/86/13/34/604861334.db2.gz NOPJBWQBCYJNIY-LBPRGKRZSA-N -1 0 363.436 -0.362 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)CC1 ZINC000827475823 603631616 /nfs/dbraw/zinc/63/16/16/603631616.db2.gz OSRFRETWWSTVDS-GFCCVEGCSA-N -1 0 362.404 -0.087 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)CC1 ZINC000827475824 603631824 /nfs/dbraw/zinc/63/18/24/603631824.db2.gz OSRFRETWWSTVDS-LBPRGKRZSA-N -1 0 362.404 -0.087 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827475886 604710726 /nfs/dbraw/zinc/71/07/26/604710726.db2.gz QMKKEVXIYZUNPA-LLVKDONJSA-N -1 0 351.425 -0.457 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000827475887 604711004 /nfs/dbraw/zinc/71/10/04/604711004.db2.gz QMKKEVXIYZUNPA-NSHDSACASA-N -1 0 351.425 -0.457 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000827476029 603692436 /nfs/dbraw/zinc/69/24/36/603692436.db2.gz RXTNNNXTXIFOTE-UHFFFAOYSA-N -1 0 372.403 -0.552 20 0 FBADRM CCS(=O)(=O)N1CCC(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827476051 604675507 /nfs/dbraw/zinc/67/55/07/604675507.db2.gz SGQMWBFTMLADKE-GFCCVEGCSA-N -1 0 363.436 -0.314 20 0 FBADRM CCS(=O)(=O)N1CCC(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827476053 604675514 /nfs/dbraw/zinc/67/55/14/604675514.db2.gz SGQMWBFTMLADKE-LBPRGKRZSA-N -1 0 363.436 -0.314 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000827476137 603712112 /nfs/dbraw/zinc/71/21/12/603712112.db2.gz UFJNYUKEKQMEAO-NXEZZACHSA-N -1 0 351.425 -0.065 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000827476139 603712090 /nfs/dbraw/zinc/71/20/90/603712090.db2.gz UFJNYUKEKQMEAO-UWVGGRQHSA-N -1 0 351.425 -0.065 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000827476141 603712141 /nfs/dbraw/zinc/71/21/41/603712141.db2.gz UFJNYUKEKQMEAO-VHSXEESVSA-N -1 0 351.425 -0.065 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000827476143 603712202 /nfs/dbraw/zinc/71/22/02/603712202.db2.gz UFJNYUKEKQMEAO-ZJUUUORDSA-N -1 0 351.425 -0.065 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)C1 ZINC000827476292 603782034 /nfs/dbraw/zinc/78/20/34/603782034.db2.gz WHFXNZIMANUDRO-CMPLNLGQSA-N -1 0 362.404 -0.087 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)C1 ZINC000827476293 603782048 /nfs/dbraw/zinc/78/20/48/603782048.db2.gz WHFXNZIMANUDRO-JQWIXIFHSA-N -1 0 362.404 -0.087 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)C1 ZINC000827476294 603782022 /nfs/dbraw/zinc/78/20/22/603782022.db2.gz WHFXNZIMANUDRO-PWSUYJOCSA-N -1 0 362.404 -0.087 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)C1 ZINC000827476295 603782006 /nfs/dbraw/zinc/78/20/06/603782006.db2.gz WHFXNZIMANUDRO-ZYHUDNBSSA-N -1 0 362.404 -0.087 20 0 FBADRM CCS(=O)(=O)N1CCN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)CC1 ZINC000827476300 603588709 /nfs/dbraw/zinc/58/87/09/603588709.db2.gz WNVFGEGYSLXZGD-UHFFFAOYSA-N -1 0 360.436 -0.877 20 0 FBADRM CCS(=O)(=O)NC1CCN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)CC1 ZINC000827476301 603586348 /nfs/dbraw/zinc/58/63/48/603586348.db2.gz WOVISDIRFYYCQQ-UHFFFAOYSA-N -1 0 374.463 -0.440 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000827476351 605284526 /nfs/dbraw/zinc/28/45/26/605284526.db2.gz XHDBDNKJRYWROV-GFCCVEGCSA-N -1 0 363.436 -0.361 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000827476354 605284830 /nfs/dbraw/zinc/28/48/30/605284830.db2.gz XHDBDNKJRYWROV-LBPRGKRZSA-N -1 0 363.436 -0.361 20 0 FBADRM CCS(=O)(=O)NC1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827476355 604713880 /nfs/dbraw/zinc/71/38/80/604713880.db2.gz XIDJMCLCVKSGAI-GFCCVEGCSA-N -1 0 363.436 -0.314 20 0 FBADRM CCS(=O)(=O)NC1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827476357 604714137 /nfs/dbraw/zinc/71/41/37/604714137.db2.gz XIDJMCLCVKSGAI-LBPRGKRZSA-N -1 0 363.436 -0.314 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000827476379 603712280 /nfs/dbraw/zinc/71/22/80/603712280.db2.gz XUIJQAQVYQSFBO-UHFFFAOYSA-N -1 0 364.468 -0.494 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827476438 605284567 /nfs/dbraw/zinc/28/45/67/605284567.db2.gz YUPSDNMEWQYPBI-LLVKDONJSA-N -1 0 351.425 -0.409 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000827476439 605284586 /nfs/dbraw/zinc/28/45/86/605284586.db2.gz YUPSDNMEWQYPBI-NSHDSACASA-N -1 0 351.425 -0.409 20 0 FBADRM CCS(=O)(=O)NCC(=O)OCc1nc(C(C)(C)NC(=O)[O-])no1 ZINC000827476516 605198531 /nfs/dbraw/zinc/19/85/31/605198531.db2.gz ZRQIYEKQDJWUAM-UHFFFAOYSA-N -1 0 350.353 -0.445 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000827476521 605678714 /nfs/dbraw/zinc/67/87/14/605678714.db2.gz ZULXCAKBGACHOC-UHFFFAOYSA-N -1 0 350.441 -0.836 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000827480022 603577974 /nfs/dbraw/zinc/57/79/74/603577974.db2.gz BPLDZQCYOGNFMI-NXEZZACHSA-N -1 0 357.454 -0.767 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000827480023 603577784 /nfs/dbraw/zinc/57/77/84/603577784.db2.gz BPLDZQCYOGNFMI-UWVGGRQHSA-N -1 0 357.454 -0.767 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000827480024 603577828 /nfs/dbraw/zinc/57/78/28/603577828.db2.gz BPLDZQCYOGNFMI-VHSXEESVSA-N -1 0 357.454 -0.767 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000827480025 603577838 /nfs/dbraw/zinc/57/78/38/603577838.db2.gz BPLDZQCYOGNFMI-ZJUUUORDSA-N -1 0 357.454 -0.767 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NCC1(NC(=O)[O-])CCCCC1 ZINC000827480029 603576209 /nfs/dbraw/zinc/57/62/09/603576209.db2.gz BRGZERZVEUFHHX-UHFFFAOYSA-N -1 0 371.481 -0.184 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC(CNC(=O)[O-])CC1 ZINC000827480045 603575787 /nfs/dbraw/zinc/57/57/87/603575787.db2.gz CFRSMMOZOCGODO-UHFFFAOYSA-N -1 0 357.454 -0.765 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000827480051 603577977 /nfs/dbraw/zinc/57/79/77/603577977.db2.gz CJQKEGQGFVQUCF-AOOOYVTPSA-N -1 0 357.454 -0.672 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1 ZINC000827480052 603577864 /nfs/dbraw/zinc/57/78/64/603577864.db2.gz CJQKEGQGFVQUCF-NXEZZACHSA-N -1 0 357.454 -0.672 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000827480053 603578031 /nfs/dbraw/zinc/57/80/31/603578031.db2.gz CJQKEGQGFVQUCF-UWVGGRQHSA-N -1 0 357.454 -0.672 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000827480054 603577806 /nfs/dbraw/zinc/57/78/06/603577806.db2.gz CKDHFUAPGNNIRG-UHFFFAOYSA-N -1 0 357.454 -0.576 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827480058 603576087 /nfs/dbraw/zinc/57/60/87/603576087.db2.gz CKSCVIUZNHMPMB-JTQLQIEISA-N -1 0 357.454 -0.765 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000827480059 603575969 /nfs/dbraw/zinc/57/59/69/603575969.db2.gz CKSCVIUZNHMPMB-SNVBAGLBSA-N -1 0 357.454 -0.765 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCN(C(=O)[O-])CC1(C)C ZINC000827480089 603579527 /nfs/dbraw/zinc/57/95/27/603579527.db2.gz DXGVPKPHMMQKHE-UHFFFAOYSA-N -1 0 357.454 -0.670 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000827480099 603579502 /nfs/dbraw/zinc/57/95/02/603579502.db2.gz FNRPCTMWNMVTAE-FGWVZKOKSA-N -1 0 369.465 -0.482 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NC1(CNC(=O)[O-])CCCC1 ZINC000827480107 603577831 /nfs/dbraw/zinc/57/78/31/603577831.db2.gz FRULRDNXDLCQPI-UHFFFAOYSA-N -1 0 357.454 -0.575 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000827480168 603577896 /nfs/dbraw/zinc/57/78/96/603577896.db2.gz HBMDRKXNCMVTQR-JTQLQIEISA-N -1 0 371.481 -0.376 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000827480169 603577939 /nfs/dbraw/zinc/57/79/39/603577939.db2.gz HBMDRKXNCMVTQR-SNVBAGLBSA-N -1 0 371.481 -0.376 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@](C)(CNC(=O)[O-])C1CC1 ZINC000827480192 603577950 /nfs/dbraw/zinc/57/79/50/603577950.db2.gz HXJXQFHXEGFQIU-LLVKDONJSA-N -1 0 357.454 -0.719 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@](C)(CNC(=O)[O-])C1CC1 ZINC000827480193 603577721 /nfs/dbraw/zinc/57/77/21/603577721.db2.gz HXJXQFHXEGFQIU-NSHDSACASA-N -1 0 357.454 -0.719 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000827480194 603577915 /nfs/dbraw/zinc/57/79/15/603577915.db2.gz HXYXIRHMBMHLJB-JTQLQIEISA-N -1 0 357.454 -0.813 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000827480195 603577823 /nfs/dbraw/zinc/57/78/23/603577823.db2.gz HXYXIRHMBMHLJB-SNVBAGLBSA-N -1 0 357.454 -0.813 20 0 FBADRM CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCCNC(=O)[O-])cc1 ZINC000827480211 603706438 /nfs/dbraw/zinc/70/64/38/603706438.db2.gz IFWJAHLLQQBMME-UHFFFAOYSA-N -1 0 358.376 -0.230 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000827480233 603577926 /nfs/dbraw/zinc/57/79/26/603577926.db2.gz ITKSTYLYAZOERL-UHFFFAOYSA-N -1 0 371.481 -0.423 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000827480236 603579598 /nfs/dbraw/zinc/57/95/98/603579598.db2.gz ITSQHJGEOSZBMF-UHFFFAOYSA-N -1 0 371.481 -0.234 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000827480241 603577920 /nfs/dbraw/zinc/57/79/20/603577920.db2.gz IYMTYKALLBJUEB-GHMZBOCLSA-N -1 0 371.481 -0.329 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000827480242 603577906 /nfs/dbraw/zinc/57/79/06/603577906.db2.gz IYMTYKALLBJUEB-MNOVXSKESA-N -1 0 371.481 -0.329 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000827480243 603577902 /nfs/dbraw/zinc/57/79/02/603577902.db2.gz IYMTYKALLBJUEB-QWRGUYRKSA-N -1 0 371.481 -0.329 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000827480244 603578027 /nfs/dbraw/zinc/57/80/27/603578027.db2.gz IYMTYKALLBJUEB-WDEREUQCSA-N -1 0 371.481 -0.329 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000827480245 603578004 /nfs/dbraw/zinc/57/80/04/603578004.db2.gz IYSSMNTYCAZFME-NXEZZACHSA-N -1 0 357.454 -0.719 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000827480246 603577730 /nfs/dbraw/zinc/57/77/30/603577730.db2.gz IYSSMNTYCAZFME-UWVGGRQHSA-N -1 0 357.454 -0.719 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000827480247 603577758 /nfs/dbraw/zinc/57/77/58/603577758.db2.gz IYSSMNTYCAZFME-VHSXEESVSA-N -1 0 357.454 -0.719 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000827480248 603577780 /nfs/dbraw/zinc/57/77/80/603577780.db2.gz IYSSMNTYCAZFME-ZJUUUORDSA-N -1 0 357.454 -0.719 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000827480368 603576353 /nfs/dbraw/zinc/57/63/53/603576353.db2.gz KLRNSLLHCNLVLF-UHFFFAOYSA-N -1 0 357.454 -0.765 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N(C)C1CCN(C(=O)[O-])CC1 ZINC000827480385 603575872 /nfs/dbraw/zinc/57/58/72/603575872.db2.gz KRPNDECFIFTAQW-UHFFFAOYSA-N -1 0 357.454 -0.670 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000827480392 604875644 /nfs/dbraw/zinc/87/56/44/604875644.db2.gz KTOYEMUETUYWPL-NXEZZACHSA-N -1 0 366.440 -0.272 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000827480393 604875583 /nfs/dbraw/zinc/87/55/83/604875583.db2.gz KTOYEMUETUYWPL-UWVGGRQHSA-N -1 0 366.440 -0.272 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000827480394 604875369 /nfs/dbraw/zinc/87/53/69/604875369.db2.gz KTOYEMUETUYWPL-VHSXEESVSA-N -1 0 366.440 -0.272 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000827480395 604875434 /nfs/dbraw/zinc/87/54/34/604875434.db2.gz KTOYEMUETUYWPL-ZJUUUORDSA-N -1 0 366.440 -0.272 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCCC[C@H]1CNC(=O)[O-] ZINC000827480404 603519619 /nfs/dbraw/zinc/51/96/19/603519619.db2.gz LBQUJDFWWHIUBI-JTQLQIEISA-N -1 0 357.454 -0.622 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCCC[C@@H]1CNC(=O)[O-] ZINC000827480405 603519423 /nfs/dbraw/zinc/51/94/23/603519423.db2.gz LBQUJDFWWHIUBI-SNVBAGLBSA-N -1 0 357.454 -0.622 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000827480429 603575924 /nfs/dbraw/zinc/57/59/24/603575924.db2.gz MAAIIBCQTFIYAZ-GHMZBOCLSA-N -1 0 371.481 -0.234 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000827480430 603575995 /nfs/dbraw/zinc/57/59/95/603575995.db2.gz MAAIIBCQTFIYAZ-MNOVXSKESA-N -1 0 371.481 -0.234 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000827480431 603575918 /nfs/dbraw/zinc/57/59/18/603575918.db2.gz MAAIIBCQTFIYAZ-QWRGUYRKSA-N -1 0 371.481 -0.234 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000827480432 603576229 /nfs/dbraw/zinc/57/62/29/603576229.db2.gz MAAIIBCQTFIYAZ-WDEREUQCSA-N -1 0 371.481 -0.234 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000827480438 605539862 /nfs/dbraw/zinc/53/98/62/605539862.db2.gz MGPBMOLRFNNJFV-NXEZZACHSA-N -1 0 357.454 -0.624 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C ZINC000827480439 605539919 /nfs/dbraw/zinc/53/99/19/605539919.db2.gz MGPBMOLRFNNJFV-UWVGGRQHSA-N -1 0 357.454 -0.624 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C ZINC000827480440 605539884 /nfs/dbraw/zinc/53/98/84/605539884.db2.gz MGPBMOLRFNNJFV-VHSXEESVSA-N -1 0 357.454 -0.624 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000827480441 605539752 /nfs/dbraw/zinc/53/97/52/605539752.db2.gz MGPBMOLRFNNJFV-ZJUUUORDSA-N -1 0 357.454 -0.624 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H]1CN(C)C(=O)[O-] ZINC000827480458 603579413 /nfs/dbraw/zinc/57/94/13/603579413.db2.gz MVUXWSGHCFWPFT-JTQLQIEISA-N -1 0 357.454 -0.670 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000827480459 603579439 /nfs/dbraw/zinc/57/94/39/603579439.db2.gz MVUXWSGHCFWPFT-SNVBAGLBSA-N -1 0 357.454 -0.670 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CCCCN(C(=O)[O-])C1 ZINC000827480610 603577981 /nfs/dbraw/zinc/57/79/81/603577981.db2.gz OJWKGTRPZHLDRQ-JTQLQIEISA-N -1 0 357.454 -0.622 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000827480611 603578012 /nfs/dbraw/zinc/57/80/12/603578012.db2.gz OJWKGTRPZHLDRQ-SNVBAGLBSA-N -1 0 357.454 -0.622 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000827480623 603579607 /nfs/dbraw/zinc/57/96/07/603579607.db2.gz OQHLYLZDMBYBBF-MNOVXSKESA-N -1 0 369.465 -0.528 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827480933 603576203 /nfs/dbraw/zinc/57/62/03/603576203.db2.gz RKIIQWWDQQMICU-GHMZBOCLSA-N -1 0 371.481 -0.376 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000827480934 603575830 /nfs/dbraw/zinc/57/58/30/603575830.db2.gz RKIIQWWDQQMICU-MNOVXSKESA-N -1 0 371.481 -0.376 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000827480935 603576386 /nfs/dbraw/zinc/57/63/86/603576386.db2.gz RKIIQWWDQQMICU-QWRGUYRKSA-N -1 0 371.481 -0.376 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827480936 603576223 /nfs/dbraw/zinc/57/62/23/603576223.db2.gz RKIIQWWDQQMICU-WDEREUQCSA-N -1 0 371.481 -0.376 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)[O-] ZINC000827481188 603579499 /nfs/dbraw/zinc/57/94/99/603579499.db2.gz SXAUKYQDQHADRW-GHMZBOCLSA-N -1 0 371.481 -0.376 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)[O-] ZINC000827481189 603579456 /nfs/dbraw/zinc/57/94/56/603579456.db2.gz SXAUKYQDQHADRW-MNOVXSKESA-N -1 0 371.481 -0.376 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)[O-] ZINC000827481190 603579533 /nfs/dbraw/zinc/57/95/33/603579533.db2.gz SXAUKYQDQHADRW-QWRGUYRKSA-N -1 0 371.481 -0.376 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H](C)[C@H]1CNC(=O)[O-] ZINC000827481191 603579335 /nfs/dbraw/zinc/57/93/35/603579335.db2.gz SXAUKYQDQHADRW-WDEREUQCSA-N -1 0 371.481 -0.376 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[O-] ZINC000827481592 603576374 /nfs/dbraw/zinc/57/63/74/603576374.db2.gz WDBSTJJPDUTHRM-JTQLQIEISA-N -1 0 357.454 -0.622 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCCCN1C(=O)[O-] ZINC000827481594 603575839 /nfs/dbraw/zinc/57/58/39/603575839.db2.gz WDBSTJJPDUTHRM-SNVBAGLBSA-N -1 0 357.454 -0.622 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827481699 604041767 /nfs/dbraw/zinc/04/17/67/604041767.db2.gz XMKJJUIVVOKLIC-GHMZBOCLSA-N -1 0 371.481 -0.376 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827481701 604041782 /nfs/dbraw/zinc/04/17/82/604041782.db2.gz XMKJJUIVVOKLIC-MNOVXSKESA-N -1 0 371.481 -0.376 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000827481702 604041621 /nfs/dbraw/zinc/04/16/21/604041621.db2.gz XMKJJUIVVOKLIC-QWRGUYRKSA-N -1 0 371.481 -0.376 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000827481704 604041258 /nfs/dbraw/zinc/04/12/58/604041258.db2.gz XMKJJUIVVOKLIC-WDEREUQCSA-N -1 0 371.481 -0.376 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000827481765 603576168 /nfs/dbraw/zinc/57/61/68/603576168.db2.gz YOBDBYNALWTMLZ-LLVKDONJSA-N -1 0 371.481 -0.423 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000827481767 603576263 /nfs/dbraw/zinc/57/62/63/603576263.db2.gz YOBDBYNALWTMLZ-NSHDSACASA-N -1 0 371.481 -0.423 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N(C)CC(C)(C)CNC(=O)[O-] ZINC000827481918 603579416 /nfs/dbraw/zinc/57/94/16/603579416.db2.gz ZATNUVKCDHXJOW-UHFFFAOYSA-N -1 0 359.470 -0.519 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000827481931 603577914 /nfs/dbraw/zinc/57/79/14/603577914.db2.gz ZDRZUWJVVUDTSN-UHFFFAOYSA-N -1 0 357.454 -0.670 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000827481935 603576052 /nfs/dbraw/zinc/57/60/52/603576052.db2.gz ZJPUYIVECHWCPH-JTQLQIEISA-N -1 0 357.454 -0.765 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000827481936 603576254 /nfs/dbraw/zinc/57/62/54/603576254.db2.gz ZJPUYIVECHWCPH-SNVBAGLBSA-N -1 0 357.454 -0.765 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827481959 605547636 /nfs/dbraw/zinc/54/76/36/605547636.db2.gz ZXBOIBAWQIISMN-LLVKDONJSA-N -1 0 369.465 -0.528 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827481960 605547682 /nfs/dbraw/zinc/54/76/82/605547682.db2.gz ZXBOIBAWQIISMN-NSHDSACASA-N -1 0 369.465 -0.528 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000827481961 603577948 /nfs/dbraw/zinc/57/79/48/603577948.db2.gz ZXMSDPOIZLTIAY-JTQLQIEISA-N -1 0 357.454 -0.765 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000827481962 603577742 /nfs/dbraw/zinc/57/77/42/603577742.db2.gz ZXMSDPOIZLTIAY-SNVBAGLBSA-N -1 0 357.454 -0.765 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1)[C@H](C)CO ZINC000827511940 601363828 /nfs/dbraw/zinc/36/38/28/601363828.db2.gz CQARILKNPFEOLG-NXEZZACHSA-N -1 0 351.359 -0.427 20 0 FBADRM C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000827511941 601363717 /nfs/dbraw/zinc/36/37/17/601363717.db2.gz CQARILKNPFEOLG-UWVGGRQHSA-N -1 0 351.359 -0.427 20 0 FBADRM C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000827511942 601363890 /nfs/dbraw/zinc/36/38/90/601363890.db2.gz CQARILKNPFEOLG-VHSXEESVSA-N -1 0 351.359 -0.427 20 0 FBADRM C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000827511943 601363885 /nfs/dbraw/zinc/36/38/85/601363885.db2.gz CQARILKNPFEOLG-ZJUUUORDSA-N -1 0 351.359 -0.427 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1)[C@H](C)CO ZINC000827512554 601364017 /nfs/dbraw/zinc/36/40/17/601364017.db2.gz PHPGZEIZKKFTMM-GHMZBOCLSA-N -1 0 365.386 -0.037 20 0 FBADRM C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000827512555 601364168 /nfs/dbraw/zinc/36/41/68/601364168.db2.gz PHPGZEIZKKFTMM-MNOVXSKESA-N -1 0 365.386 -0.037 20 0 FBADRM C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000827512556 601364129 /nfs/dbraw/zinc/36/41/29/601364129.db2.gz PHPGZEIZKKFTMM-QWRGUYRKSA-N -1 0 365.386 -0.037 20 0 FBADRM C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000827512557 601364104 /nfs/dbraw/zinc/36/41/04/601364104.db2.gz PHPGZEIZKKFTMM-WDEREUQCSA-N -1 0 365.386 -0.037 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1)[C@H](C)CO ZINC000827512981 601364028 /nfs/dbraw/zinc/36/40/28/601364028.db2.gz VKZUIWOMJDGGBT-GHMZBOCLSA-N -1 0 365.386 -0.499 20 0 FBADRM C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000827512982 601364071 /nfs/dbraw/zinc/36/40/71/601364071.db2.gz VKZUIWOMJDGGBT-MNOVXSKESA-N -1 0 365.386 -0.499 20 0 FBADRM C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000827512983 601364141 /nfs/dbraw/zinc/36/41/41/601364141.db2.gz VKZUIWOMJDGGBT-QWRGUYRKSA-N -1 0 365.386 -0.499 20 0 FBADRM C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000827512984 601364054 /nfs/dbraw/zinc/36/40/54/601364054.db2.gz VKZUIWOMJDGGBT-WDEREUQCSA-N -1 0 365.386 -0.499 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000827514138 604209242 /nfs/dbraw/zinc/20/92/42/604209242.db2.gz KBKQJENGWRLCDG-LBPRGKRZSA-N -1 0 365.452 -0.068 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000827514443 605136609 /nfs/dbraw/zinc/13/66/09/605136609.db2.gz OLLZDRDWEYWKOJ-NSHDSACASA-N -1 0 373.435 -0.392 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000827514663 603072396 /nfs/dbraw/zinc/07/23/96/603072396.db2.gz RXZOUXAYHODVNO-NSHDSACASA-N -1 0 360.392 -0.305 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 ZINC000827515186 605224337 /nfs/dbraw/zinc/22/43/37/605224337.db2.gz YSOVAHARVKFSJR-NSHDSACASA-N -1 0 351.425 -0.457 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc3c(c2)nnn3C)C1=O ZINC000827523498 661119728 /nfs/dbraw/zinc/11/97/28/661119728.db2.gz GGMAMFKCCOUNQY-CYBMUJFWSA-N -1 0 352.376 -0.118 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc3c(c2)nnn3C)C1=O ZINC000827523499 661119805 /nfs/dbraw/zinc/11/98/05/661119805.db2.gz GGMAMFKCCOUNQY-ZDUSSCGKSA-N -1 0 352.376 -0.118 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000827531709 605073526 /nfs/dbraw/zinc/07/35/26/605073526.db2.gz NCPOPIYAHSRPIY-AXFHLTTASA-N -1 0 364.420 0.000 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000827531711 605073608 /nfs/dbraw/zinc/07/36/08/605073608.db2.gz NCPOPIYAHSRPIY-DCAQKATOSA-N -1 0 364.420 0.000 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)O[C@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000827531714 605073462 /nfs/dbraw/zinc/07/34/62/605073462.db2.gz NCPOPIYAHSRPIY-MXWKQRLJSA-N -1 0 364.420 0.000 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)O[C@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000827531716 605073671 /nfs/dbraw/zinc/07/36/71/605073671.db2.gz NCPOPIYAHSRPIY-VWYCJHECSA-N -1 0 364.420 0.000 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000827531718 605080619 /nfs/dbraw/zinc/08/06/19/605080619.db2.gz NFCQFSAVWZTMPS-AEJSXWLSSA-N -1 0 350.393 -0.390 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)O[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000827531719 605080593 /nfs/dbraw/zinc/08/05/93/605080593.db2.gz NFCQFSAVWZTMPS-BBBLOLIVSA-N -1 0 350.393 -0.390 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000827531721 605080448 /nfs/dbraw/zinc/08/04/48/605080448.db2.gz NFCQFSAVWZTMPS-GUBZILKMSA-N -1 0 350.393 -0.390 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)O[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000827531723 605080658 /nfs/dbraw/zinc/08/06/58/605080658.db2.gz NFCQFSAVWZTMPS-UTLUCORTSA-N -1 0 350.393 -0.390 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)O[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000827531991 605078504 /nfs/dbraw/zinc/07/85/04/605078504.db2.gz QNJVQWWMCVOEDS-DCAQKATOSA-N -1 0 364.420 -0.096 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)O[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000827531992 605078404 /nfs/dbraw/zinc/07/84/04/605078404.db2.gz QNJVQWWMCVOEDS-GARJFASQSA-N -1 0 364.420 -0.096 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)O[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000827531993 605078646 /nfs/dbraw/zinc/07/86/46/605078646.db2.gz QNJVQWWMCVOEDS-OUAUKWLOSA-N -1 0 364.420 -0.096 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)O[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000827531994 605078184 /nfs/dbraw/zinc/07/81/84/605078184.db2.gz QNJVQWWMCVOEDS-VWYCJHECSA-N -1 0 364.420 -0.096 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)OCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000827539037 605079210 /nfs/dbraw/zinc/07/92/10/605079210.db2.gz MOGRVSVUZUOZCV-UWVGGRQHSA-N -1 0 350.393 -0.389 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)OCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000827539038 605079213 /nfs/dbraw/zinc/07/92/13/605079213.db2.gz MOGRVSVUZUOZCV-ZJUUUORDSA-N -1 0 350.393 -0.389 20 0 FBADRM C[C@H](CS(=O)(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)C(=O)[O-] ZINC000827540352 601775612 /nfs/dbraw/zinc/77/56/12/601775612.db2.gz CAJGIWLMPOCUSL-GFCCVEGCSA-N -1 0 361.464 -0.477 20 0 FBADRM C[C@@H](CS(=O)(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)C(=O)[O-] ZINC000827540354 601775555 /nfs/dbraw/zinc/77/55/55/601775555.db2.gz CAJGIWLMPOCUSL-LBPRGKRZSA-N -1 0 361.464 -0.477 20 0 FBADRM C[C@H](CS(=O)(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1)C(=O)[O-] ZINC000827540803 601784675 /nfs/dbraw/zinc/78/46/75/601784675.db2.gz HLKXNCYRICEHGK-LLVKDONJSA-N -1 0 372.447 -0.088 20 0 FBADRM C[C@@H](CS(=O)(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1)C(=O)[O-] ZINC000827540804 601784614 /nfs/dbraw/zinc/78/46/14/601784614.db2.gz HLKXNCYRICEHGK-NSHDSACASA-N -1 0 372.447 -0.088 20 0 FBADRM C[C@H](CS(=O)(=O)N1CCCN(CC(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000827540941 601274452 /nfs/dbraw/zinc/27/44/52/601274452.db2.gz IQZMOCOUFARYCP-CYBMUJFWSA-N -1 0 361.464 -0.333 20 0 FBADRM C[C@@H](CS(=O)(=O)N1CCCN(CC(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000827540942 601274479 /nfs/dbraw/zinc/27/44/79/601274479.db2.gz IQZMOCOUFARYCP-ZDUSSCGKSA-N -1 0 361.464 -0.333 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000827543445 605077811 /nfs/dbraw/zinc/07/78/11/605077811.db2.gz APIVZEKXTXHHAN-QMMMGPOBSA-N -1 0 353.335 -0.977 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)OCCN(C)S(=O)(=O)N1CCOCC1 ZINC000827543856 605237444 /nfs/dbraw/zinc/23/74/44/605237444.db2.gz KRAZHLKZPSJKON-JTQLQIEISA-N -1 0 353.397 -0.915 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000827543976 605077463 /nfs/dbraw/zinc/07/74/63/605077463.db2.gz NVWDMSMJWGREOX-JTQLQIEISA-N -1 0 359.360 -0.138 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)OCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000827544166 605074735 /nfs/dbraw/zinc/07/47/35/605074735.db2.gz QDPBTHDKXSNCMC-VIFPVBQESA-N -1 0 367.362 -0.587 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)OCC(=O)Nc1ccccc1S(N)(=O)=O ZINC000827544302 605079788 /nfs/dbraw/zinc/07/97/88/605079788.db2.gz ULHPVQMSHIDYGR-QMMMGPOBSA-N -1 0 359.360 -0.138 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000827544361 605076491 /nfs/dbraw/zinc/07/64/91/605076491.db2.gz WSZVPRLYRBWJIF-JTQLQIEISA-N -1 0 359.360 -0.138 20 0 FBADRM C[C@@H](CS(=O)(=O)N1CCN(c2ncnc3c2cnn3C)CC1)C(=O)[O-] ZINC000827546028 601773411 /nfs/dbraw/zinc/77/34/11/601773411.db2.gz HHIRTPFDNTVBER-JTQLQIEISA-N -1 0 368.419 -0.464 20 0 FBADRM C[C@H](CS(=O)(=O)N1CCN(c2ncnc3c2cnn3C)CC1)C(=O)[O-] ZINC000827546029 601773607 /nfs/dbraw/zinc/77/36/07/601773607.db2.gz HHIRTPFDNTVBER-SNVBAGLBSA-N -1 0 368.419 -0.464 20 0 FBADRM C[C@H](C(=O)N1CCCC1)N1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC000827546076 601801419 /nfs/dbraw/zinc/80/14/19/601801419.db2.gz HZXATSCPIJGYIT-CHWSQXEVSA-N -1 0 361.464 -0.335 20 0 FBADRM C[C@H](CS(=O)(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000827546078 601801259 /nfs/dbraw/zinc/80/12/59/601801259.db2.gz HZXATSCPIJGYIT-OLZOCXBDSA-N -1 0 361.464 -0.335 20 0 FBADRM C[C@@H](CS(=O)(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000827546080 601801394 /nfs/dbraw/zinc/80/13/94/601801394.db2.gz HZXATSCPIJGYIT-QWHCGFSZSA-N -1 0 361.464 -0.335 20 0 FBADRM C[C@@H](CS(=O)(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000827546082 601801352 /nfs/dbraw/zinc/80/13/52/601801352.db2.gz HZXATSCPIJGYIT-STQMWFEESA-N -1 0 361.464 -0.335 20 0 FBADRM C[C@H](CS(=O)(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)C(=O)[O-] ZINC000827546139 604814677 /nfs/dbraw/zinc/81/46/77/604814677.db2.gz IGICKVVENBZCTN-GHMZBOCLSA-N -1 0 368.419 -0.315 20 0 FBADRM C[C@H](CS(=O)(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)C(=O)[O-] ZINC000827546140 604814577 /nfs/dbraw/zinc/81/45/77/604814577.db2.gz IGICKVVENBZCTN-MNOVXSKESA-N -1 0 368.419 -0.315 20 0 FBADRM C[C@@H](CS(=O)(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)C(=O)[O-] ZINC000827546141 604815164 /nfs/dbraw/zinc/81/51/64/604815164.db2.gz IGICKVVENBZCTN-QWRGUYRKSA-N -1 0 368.419 -0.315 20 0 FBADRM C[C@@H](CS(=O)(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)C(=O)[O-] ZINC000827546143 604815110 /nfs/dbraw/zinc/81/51/10/604815110.db2.gz IGICKVVENBZCTN-WDEREUQCSA-N -1 0 368.419 -0.315 20 0 FBADRM C[C@@H](CS(=O)(=O)N1CCN(c2ccc3nncn3n2)CC1)C(=O)[O-] ZINC000827546311 601792794 /nfs/dbraw/zinc/79/27/94/601792794.db2.gz JXCJEVAKFLPKTC-JTQLQIEISA-N -1 0 354.392 -0.703 20 0 FBADRM C[C@H](CS(=O)(=O)N1CCN(c2ccc3nncn3n2)CC1)C(=O)[O-] ZINC000827546315 601792922 /nfs/dbraw/zinc/79/29/22/601792922.db2.gz JXCJEVAKFLPKTC-SNVBAGLBSA-N -1 0 354.392 -0.703 20 0 FBADRM C[C@H](CS(=O)(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)C(=O)[O-] ZINC000827546354 601792123 /nfs/dbraw/zinc/79/21/23/601792123.db2.gz KLAWYCSHPYASMC-LLVKDONJSA-N -1 0 355.416 -0.042 20 0 FBADRM C[C@@H](CS(=O)(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)C(=O)[O-] ZINC000827546355 601792160 /nfs/dbraw/zinc/79/21/60/601792160.db2.gz KLAWYCSHPYASMC-NSHDSACASA-N -1 0 355.416 -0.042 20 0 FBADRM C[C@H](CS(=O)(=O)N1CSC[C@@H]1C(=O)N1CCSCC1)C(=O)[O-] ZINC000827546567 601275069 /nfs/dbraw/zinc/27/50/69/601275069.db2.gz MQAPEYCEIDAAIE-NXEZZACHSA-N -1 0 368.502 -0.013 20 0 FBADRM C[C@@H](CS(=O)(=O)N1CSC[C@H]1C(=O)N1CCSCC1)C(=O)[O-] ZINC000827546568 601275176 /nfs/dbraw/zinc/27/51/76/601275176.db2.gz MQAPEYCEIDAAIE-UWVGGRQHSA-N -1 0 368.502 -0.013 20 0 FBADRM C[C@@H](CS(=O)(=O)N1CSC[C@@H]1C(=O)N1CCSCC1)C(=O)[O-] ZINC000827546569 601275050 /nfs/dbraw/zinc/27/50/50/601275050.db2.gz MQAPEYCEIDAAIE-VHSXEESVSA-N -1 0 368.502 -0.013 20 0 FBADRM C[C@H](CS(=O)(=O)N1CSC[C@H]1C(=O)N1CCSCC1)C(=O)[O-] ZINC000827546570 601275148 /nfs/dbraw/zinc/27/51/48/601275148.db2.gz MQAPEYCEIDAAIE-ZJUUUORDSA-N -1 0 368.502 -0.013 20 0 FBADRM C[C@H](CS(=O)(=O)N1CCO[C@@H](CN(C)c2cccnn2)C1)C(=O)[O-] ZINC000827546579 604494018 /nfs/dbraw/zinc/49/40/18/604494018.db2.gz MUHDFIONXPFORY-NEPJUHHUSA-N -1 0 358.420 -0.336 20 0 FBADRM C[C@@H](CS(=O)(=O)N1CCO[C@H](CN(C)c2cccnn2)C1)C(=O)[O-] ZINC000827546580 604493899 /nfs/dbraw/zinc/49/38/99/604493899.db2.gz MUHDFIONXPFORY-NWDGAFQWSA-N -1 0 358.420 -0.336 20 0 FBADRM C[C@@H](CS(=O)(=O)N1CCO[C@@H](CN(C)c2cccnn2)C1)C(=O)[O-] ZINC000827546581 604493983 /nfs/dbraw/zinc/49/39/83/604493983.db2.gz MUHDFIONXPFORY-RYUDHWBXSA-N -1 0 358.420 -0.336 20 0 FBADRM C[C@H](CS(=O)(=O)N1CCO[C@H](CN(C)c2cccnn2)C1)C(=O)[O-] ZINC000827546582 604493732 /nfs/dbraw/zinc/49/37/32/604493732.db2.gz MUHDFIONXPFORY-VXGBXAGGSA-N -1 0 358.420 -0.336 20 0 FBADRM C[C@@H](CS(=O)(=O)N1CCN(c2ncccc2C(N)=O)CC1)C(=O)[O-] ZINC000827546779 601783404 /nfs/dbraw/zinc/78/34/04/601783404.db2.gz PATSSPHGKAVAPU-JTQLQIEISA-N -1 0 356.404 -0.647 20 0 FBADRM C[C@H](CS(=O)(=O)N1CCN(c2ncccc2C(N)=O)CC1)C(=O)[O-] ZINC000827546780 601783384 /nfs/dbraw/zinc/78/33/84/601783384.db2.gz PATSSPHGKAVAPU-SNVBAGLBSA-N -1 0 356.404 -0.647 20 0 FBADRM C[C@H](CS(=O)(=O)N1CCc2ncnc(N3CCOCC3)c2C1)C(=O)[O-] ZINC000827547513 601800651 /nfs/dbraw/zinc/80/06/51/601800651.db2.gz ULFYEMKUUYNOIJ-LLVKDONJSA-N -1 0 370.431 -0.278 20 0 FBADRM C[C@@H](CS(=O)(=O)N1CCc2ncnc(N3CCOCC3)c2C1)C(=O)[O-] ZINC000827547514 601800771 /nfs/dbraw/zinc/80/07/71/601800771.db2.gz ULFYEMKUUYNOIJ-NSHDSACASA-N -1 0 370.431 -0.278 20 0 FBADRM C[C@@H](CS(=O)(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)C(=O)[O-] ZINC000827547999 601774796 /nfs/dbraw/zinc/77/47/96/601774796.db2.gz XWWMRRGLKJPGSK-JTQLQIEISA-N -1 0 356.404 -0.647 20 0 FBADRM C[C@H](CS(=O)(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)C(=O)[O-] ZINC000827548000 601774989 /nfs/dbraw/zinc/77/49/89/601774989.db2.gz XWWMRRGLKJPGSK-SNVBAGLBSA-N -1 0 356.404 -0.647 20 0 FBADRM C[C@H](CS(=O)(=O)N1CCN(CC(=O)N2CCCCC2)CC1)C(=O)[O-] ZINC000827548017 601273017 /nfs/dbraw/zinc/27/30/17/601273017.db2.gz YCBWSRKOYFWIRB-CYBMUJFWSA-N -1 0 361.464 -0.333 20 0 FBADRM C[C@@H](CS(=O)(=O)N1CCN(CC(=O)N2CCCCC2)CC1)C(=O)[O-] ZINC000827548018 601273065 /nfs/dbraw/zinc/27/30/65/601273065.db2.gz YCBWSRKOYFWIRB-ZDUSSCGKSA-N -1 0 361.464 -0.333 20 0 FBADRM C[C@H](CS(=O)(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)C(=O)[O-] ZINC000827551390 601800739 /nfs/dbraw/zinc/80/07/39/601800739.db2.gz FNLIMCXAVXHZOT-SECBINFHSA-N -1 0 354.450 -0.417 20 0 FBADRM C[C@@H](CS(=O)(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)C(=O)[O-] ZINC000827551394 601800714 /nfs/dbraw/zinc/80/07/14/601800714.db2.gz FNLIMCXAVXHZOT-VIFPVBQESA-N -1 0 354.450 -0.417 20 0 FBADRM CCc1n[nH]cc1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000827552145 604059469 /nfs/dbraw/zinc/05/94/69/604059469.db2.gz UWKAJWZKMYQKOM-UHFFFAOYSA-N -1 0 371.419 -0.578 20 0 FBADRM CCc1cc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)[nH]n1 ZINC000827556565 603937990 /nfs/dbraw/zinc/93/79/90/603937990.db2.gz MENGWCYRFNEULF-UHFFFAOYSA-N -1 0 371.419 -0.578 20 0 FBADRM C[C@@H](CS(=O)(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)[O-] ZINC000827557287 601772340 /nfs/dbraw/zinc/77/23/40/601772340.db2.gz CRBGCZFTGXVEOF-JTQLQIEISA-N -1 0 361.420 -0.119 20 0 FBADRM C[C@H](CS(=O)(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)[O-] ZINC000827557289 601772320 /nfs/dbraw/zinc/77/23/20/601772320.db2.gz CRBGCZFTGXVEOF-SNVBAGLBSA-N -1 0 361.420 -0.119 20 0 FBADRM C[C@H](CS(=O)(=O)NCCCN1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000827558188 601773585 /nfs/dbraw/zinc/77/35/85/601773585.db2.gz JLYZDLAVVLESSY-CYBMUJFWSA-N -1 0 371.463 -0.371 20 0 FBADRM C[C@@H](CS(=O)(=O)NCCCN1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000827558192 601773520 /nfs/dbraw/zinc/77/35/20/601773520.db2.gz JLYZDLAVVLESSY-ZDUSSCGKSA-N -1 0 371.463 -0.371 20 0 FBADRM C[C@H](CS(=O)(=O)NCCNS(=O)(=O)Cc1ccccc1)C(=O)[O-] ZINC000827558220 601774875 /nfs/dbraw/zinc/77/48/75/601774875.db2.gz JZPKHINNDMKYDI-LLVKDONJSA-N -1 0 364.445 -0.254 20 0 FBADRM C[C@@H](CS(=O)(=O)NCCNS(=O)(=O)Cc1ccccc1)C(=O)[O-] ZINC000827558221 601774924 /nfs/dbraw/zinc/77/49/24/601774924.db2.gz JZPKHINNDMKYDI-NSHDSACASA-N -1 0 364.445 -0.254 20 0 FBADRM C[C@@H](CS(=O)(=O)NC[C@@]1(N2CCOCC2)CCSC1)C(=O)[O-] ZINC000827558472 601780616 /nfs/dbraw/zinc/78/06/16/601780616.db2.gz NFPHZRJFDFFGFP-AAEUAGOBSA-N -1 0 352.478 -0.166 20 0 FBADRM C[C@H](CS(=O)(=O)NC[C@]1(N2CCOCC2)CCSC1)C(=O)[O-] ZINC000827558473 601780613 /nfs/dbraw/zinc/78/06/13/601780613.db2.gz NFPHZRJFDFFGFP-DGCLKSJQSA-N -1 0 352.478 -0.166 20 0 FBADRM C[C@@H](CS(=O)(=O)NC[C@]1(N2CCOCC2)CCSC1)C(=O)[O-] ZINC000827558474 601780590 /nfs/dbraw/zinc/78/05/90/601780590.db2.gz NFPHZRJFDFFGFP-WCQYABFASA-N -1 0 352.478 -0.166 20 0 FBADRM C[C@H](CS(=O)(=O)NC[C@@]1(N2CCOCC2)CCSC1)C(=O)[O-] ZINC000827558475 601780576 /nfs/dbraw/zinc/78/05/76/601780576.db2.gz NFPHZRJFDFFGFP-YPMHNXCESA-N -1 0 352.478 -0.166 20 0 FBADRM C[C@@H](CS(=O)(=O)NCC1(NS(C)(=O)=O)CCCCC1)C(=O)[O-] ZINC000827558484 601775264 /nfs/dbraw/zinc/77/52/64/601775264.db2.gz NMFMZXMHOWFLNB-JTQLQIEISA-N -1 0 356.466 -0.121 20 0 FBADRM C[C@H](CS(=O)(=O)NCC1(NS(C)(=O)=O)CCCCC1)C(=O)[O-] ZINC000827558485 601775181 /nfs/dbraw/zinc/77/51/81/601775181.db2.gz NMFMZXMHOWFLNB-SNVBAGLBSA-N -1 0 356.466 -0.121 20 0 FBADRM C[C@H](CS(=O)(=O)NCC(=O)N1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000827558558 601782660 /nfs/dbraw/zinc/78/26/60/601782660.db2.gz OREXQMHCJNBITP-CYBMUJFWSA-N -1 0 369.443 -0.025 20 0 FBADRM C[C@@H](CS(=O)(=O)NCC(=O)N1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000827558559 601782682 /nfs/dbraw/zinc/78/26/82/601782682.db2.gz OREXQMHCJNBITP-ZDUSSCGKSA-N -1 0 369.443 -0.025 20 0 FBADRM C[C@H](CS(=O)(=O)NCc1cc(S(N)(=O)=O)ccc1F)C(=O)[O-] ZINC000827562508 601791593 /nfs/dbraw/zinc/79/15/93/601791593.db2.gz BKEDPSXROIZIOX-SSDOTTSWSA-N -1 0 354.381 -0.387 20 0 FBADRM C[C@@H](CS(=O)(=O)NCc1cc(S(N)(=O)=O)ccc1F)C(=O)[O-] ZINC000827562509 601791575 /nfs/dbraw/zinc/79/15/75/601791575.db2.gz BKEDPSXROIZIOX-ZETCQYMHSA-N -1 0 354.381 -0.387 20 0 FBADRM C[C@H](CS(=O)(=O)NCCS(=O)(=O)N1CCSCC1)C(=O)[O-] ZINC000827562522 601788715 /nfs/dbraw/zinc/78/87/15/601788715.db2.gz BPBGKEPWZNUBND-SECBINFHSA-N -1 0 360.479 -0.995 20 0 FBADRM C[C@@H](CS(=O)(=O)NCCS(=O)(=O)N1CCSCC1)C(=O)[O-] ZINC000827562523 601788747 /nfs/dbraw/zinc/78/87/47/601788747.db2.gz BPBGKEPWZNUBND-VIFPVBQESA-N -1 0 360.479 -0.995 20 0 FBADRM C[C@H](CS(=O)(=O)NCCS(=O)(=O)NCc1ccccc1)C(=O)[O-] ZINC000827562618 601776618 /nfs/dbraw/zinc/77/66/18/601776618.db2.gz CKRUXHCIPQOMLR-LLVKDONJSA-N -1 0 364.445 -0.254 20 0 FBADRM C[C@@H](CS(=O)(=O)NCCS(=O)(=O)NCc1ccccc1)C(=O)[O-] ZINC000827562620 601776527 /nfs/dbraw/zinc/77/65/27/601776527.db2.gz CKRUXHCIPQOMLR-NSHDSACASA-N -1 0 364.445 -0.254 20 0 FBADRM C[C@H](CS(=O)(=O)NCCNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000827562841 604809790 /nfs/dbraw/zinc/80/97/90/604809790.db2.gz GOGRHKZLBICRTE-SECBINFHSA-N -1 0 351.406 -1.000 20 0 FBADRM C[C@@H](CS(=O)(=O)NCCNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000827562845 604809949 /nfs/dbraw/zinc/80/99/49/604809949.db2.gz GOGRHKZLBICRTE-VIFPVBQESA-N -1 0 351.406 -1.000 20 0 FBADRM C[C@H](CS(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000827563223 601272379 /nfs/dbraw/zinc/27/23/79/601272379.db2.gz KBKWMNJSSBAWNM-SECBINFHSA-N -1 0 350.418 -0.483 20 0 FBADRM C[C@@H](CS(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000827563224 601272354 /nfs/dbraw/zinc/27/23/54/601272354.db2.gz KBKWMNJSSBAWNM-VIFPVBQESA-N -1 0 350.418 -0.483 20 0 FBADRM CCc1cc(N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)ncn1 ZINC000827563523 603884097 /nfs/dbraw/zinc/88/40/97/603884097.db2.gz FDOOOTYIHFKSFD-UHFFFAOYSA-N -1 0 355.420 -0.147 20 0 FBADRM C[C@@H](CS(=O)(=O)NCCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000827564265 601773879 /nfs/dbraw/zinc/77/38/79/601773879.db2.gz VUMKKSRBWRXOGV-JTQLQIEISA-N -1 0 350.418 -0.395 20 0 FBADRM C[C@H](CS(=O)(=O)NCCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000827564269 601773945 /nfs/dbraw/zinc/77/39/45/601773945.db2.gz VUMKKSRBWRXOGV-SNVBAGLBSA-N -1 0 350.418 -0.395 20 0 FBADRM C[C@H](CS(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)C(=O)[O-] ZINC000827564483 601790198 /nfs/dbraw/zinc/79/01/98/601790198.db2.gz XIRGDURSHGUKGY-GHMZBOCLSA-N -1 0 372.465 -0.885 20 0 FBADRM C[C@H](CS(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)C(=O)[O-] ZINC000827564484 601790281 /nfs/dbraw/zinc/79/02/81/601790281.db2.gz XIRGDURSHGUKGY-MNOVXSKESA-N -1 0 372.465 -0.885 20 0 FBADRM C[C@@H](CS(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)C(=O)[O-] ZINC000827564485 601790333 /nfs/dbraw/zinc/79/03/33/601790333.db2.gz XIRGDURSHGUKGY-QWRGUYRKSA-N -1 0 372.465 -0.885 20 0 FBADRM C[C@@H](CS(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)C(=O)[O-] ZINC000827564486 601790208 /nfs/dbraw/zinc/79/02/08/601790208.db2.gz XIRGDURSHGUKGY-WDEREUQCSA-N -1 0 372.465 -0.885 20 0 FBADRM C[C@@H](CS(=O)(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C(=O)[O-] ZINC000827564921 601785958 /nfs/dbraw/zinc/78/59/58/601785958.db2.gz YZTVMPLYZWLEBI-BJOHPYRUSA-N -1 0 369.399 -0.119 20 0 FBADRM C[C@H](CS(=O)(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)C(=O)[O-] ZINC000827564925 601785959 /nfs/dbraw/zinc/78/59/59/601785959.db2.gz YZTVMPLYZWLEBI-PSLIRLAXSA-N -1 0 369.399 -0.119 20 0 FBADRM C[C@H](CS(=O)(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C(=O)[O-] ZINC000827564927 601785992 /nfs/dbraw/zinc/78/59/92/601785992.db2.gz YZTVMPLYZWLEBI-RFAUZJTJSA-N -1 0 369.399 -0.119 20 0 FBADRM C[C@@H](CS(=O)(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)C(=O)[O-] ZINC000827564929 601785950 /nfs/dbraw/zinc/78/59/50/601785950.db2.gz YZTVMPLYZWLEBI-VFZGTOFNSA-N -1 0 369.399 -0.119 20 0 FBADRM CCc1cc(NC(=O)C(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)n(C)n1 ZINC000827565426 604744815 /nfs/dbraw/zinc/74/48/15/604744815.db2.gz ULPDALNDWXLRPZ-GXSJLCMTSA-N -1 0 353.379 -0.196 20 0 FBADRM CCc1cc(NC(=O)C(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)n(C)n1 ZINC000827565427 604744573 /nfs/dbraw/zinc/74/45/73/604744573.db2.gz ULPDALNDWXLRPZ-KOLCDFICSA-N -1 0 353.379 -0.196 20 0 FBADRM CCc1cc(NC(=O)C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)n(C)n1 ZINC000827565428 604744735 /nfs/dbraw/zinc/74/47/35/604744735.db2.gz ULPDALNDWXLRPZ-MWLCHTKSSA-N -1 0 353.379 -0.196 20 0 FBADRM CCc1cc(NC(=O)C(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)n(C)n1 ZINC000827565430 604745004 /nfs/dbraw/zinc/74/50/04/604745004.db2.gz ULPDALNDWXLRPZ-ONGXEEELSA-N -1 0 353.379 -0.196 20 0 FBADRM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000827571109 601609554 /nfs/dbraw/zinc/60/95/54/601609554.db2.gz ICRISYWFNXDMOA-SECBINFHSA-N -1 0 361.347 -0.021 20 0 FBADRM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000827571112 601609463 /nfs/dbraw/zinc/60/94/63/601609463.db2.gz ICRISYWFNXDMOA-VIFPVBQESA-N -1 0 361.347 -0.021 20 0 FBADRM O=C(c1cnc(I)c([O-])c1)N1CC[C@@H](O)[C@@H](O)C1 ZINC000827576346 661119979 /nfs/dbraw/zinc/11/99/79/661119979.db2.gz OKDZQHDOLYJBFN-APPZFPTMSA-N -1 0 364.139 -0.041 20 0 FBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000827597760 601347618 /nfs/dbraw/zinc/34/76/18/601347618.db2.gz YJXWXFNZKIHUFR-GWCFXTLKSA-N -1 0 359.342 -0.338 20 0 FBADRM C[C@@H](Cn1cncn1)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000827597762 601347427 /nfs/dbraw/zinc/34/74/27/601347427.db2.gz YJXWXFNZKIHUFR-GXFFZTMASA-N -1 0 359.342 -0.338 20 0 FBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000827597764 601347386 /nfs/dbraw/zinc/34/73/86/601347386.db2.gz YJXWXFNZKIHUFR-MFKMUULPSA-N -1 0 359.342 -0.338 20 0 FBADRM C[C@H](Cn1cncn1)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000827597765 601347574 /nfs/dbraw/zinc/34/75/74/601347574.db2.gz YJXWXFNZKIHUFR-ZWNOBZJWSA-N -1 0 359.342 -0.338 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)NCC23COCCN2CCOC3)cc1=O ZINC000827604840 661120423 /nfs/dbraw/zinc/12/04/23/661120423.db2.gz CNDIGRDNLZWAQI-UHFFFAOYSA-N -1 0 352.435 -0.408 20 0 FBADRM CCc1ccccc1NC(=O)CNC(=O)Cn1nnnc1CNC(=O)[O-] ZINC000827605062 604032140 /nfs/dbraw/zinc/03/21/40/604032140.db2.gz SJZODVXZAWNTTO-UHFFFAOYSA-N -1 0 361.362 -0.242 20 0 FBADRM CC(C)(C)S(=O)(=O)CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000827608426 661120380 /nfs/dbraw/zinc/12/03/80/661120380.db2.gz MSWVBRFHJRAPPM-UHFFFAOYSA-N -1 0 364.445 -0.017 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1)[C@H]1CN(C)CCO1 ZINC000827609880 604562185 /nfs/dbraw/zinc/56/21/85/604562185.db2.gz WTQWFRUDHYSUPY-BXUZGUMPSA-N -1 0 365.386 -0.076 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1)[C@@H]1CN(C)CCO1 ZINC000827609881 604562335 /nfs/dbraw/zinc/56/23/35/604562335.db2.gz WTQWFRUDHYSUPY-FZMZJTMJSA-N -1 0 365.386 -0.076 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1)[C@@H]1CN(C)CCO1 ZINC000827609882 604561692 /nfs/dbraw/zinc/56/16/92/604561692.db2.gz WTQWFRUDHYSUPY-RISCZKNCSA-N -1 0 365.386 -0.076 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1)[C@H]1CN(C)CCO1 ZINC000827609883 604561838 /nfs/dbraw/zinc/56/18/38/604561838.db2.gz WTQWFRUDHYSUPY-SMDDNHRTSA-N -1 0 365.386 -0.076 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000827616756 604561826 /nfs/dbraw/zinc/56/18/26/604561826.db2.gz ZKPGHBUELOAPSG-BXUZGUMPSA-N -1 0 365.386 -0.076 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000827616757 604562369 /nfs/dbraw/zinc/56/23/69/604562369.db2.gz ZKPGHBUELOAPSG-FZMZJTMJSA-N -1 0 365.386 -0.076 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000827616758 604561701 /nfs/dbraw/zinc/56/17/01/604561701.db2.gz ZKPGHBUELOAPSG-RISCZKNCSA-N -1 0 365.386 -0.076 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000827616759 604562297 /nfs/dbraw/zinc/56/22/97/604562297.db2.gz ZKPGHBUELOAPSG-SMDDNHRTSA-N -1 0 365.386 -0.076 20 0 FBADRM CCc1nnc([C@@H]2CN(C(=O)CN3CCN(C(=O)[O-])CC3=O)CCO2)[nH]1 ZINC000827620125 603075955 /nfs/dbraw/zinc/07/59/55/603075955.db2.gz GJFMCMSZWSWPKI-JTQLQIEISA-N -1 0 366.378 -0.911 20 0 FBADRM CCc1nnc([C@H]2CN(C(=O)CN3CCN(C(=O)[O-])CC3=O)CCO2)[nH]1 ZINC000827620126 603075327 /nfs/dbraw/zinc/07/53/27/603075327.db2.gz GJFMCMSZWSWPKI-SNVBAGLBSA-N -1 0 366.378 -0.911 20 0 FBADRM CCc1n[nH]c(=O)c(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c1CC ZINC000827621966 603956820 /nfs/dbraw/zinc/95/68/20/603956820.db2.gz VVIFYSXLCNXVOS-UHFFFAOYSA-N -1 0 365.390 -0.141 20 0 FBADRM CCc1n[nH]c(=O)c(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)c1CC ZINC000827622206 604934732 /nfs/dbraw/zinc/93/47/32/604934732.db2.gz YJVYPTWJWDGFTC-UHFFFAOYSA-N -1 0 365.390 -0.255 20 0 FBADRM C[C@H](NC(=O)CN(c1ccc(C(=O)[O-])cc1)S(C)(=O)=O)C(=O)N(C)C ZINC000827630289 601901006 /nfs/dbraw/zinc/90/10/06/601901006.db2.gz NKFFYEJWFXXVBY-JTQLQIEISA-N -1 0 371.415 -0.256 20 0 FBADRM C[C@@H](NC(=O)CN(c1ccc(C(=O)[O-])cc1)S(C)(=O)=O)C(=O)N(C)C ZINC000827630293 601900920 /nfs/dbraw/zinc/90/09/20/601900920.db2.gz NKFFYEJWFXXVBY-SNVBAGLBSA-N -1 0 371.415 -0.256 20 0 FBADRM CCc1nc(CN2CCN(C(=O)COC3CN(C(=O)[O-])C3)CC2)no1 ZINC000827631287 603766308 /nfs/dbraw/zinc/76/63/08/603766308.db2.gz FAKJJNQXXYSSGM-UHFFFAOYSA-N -1 0 353.379 -0.345 20 0 FBADRM CCc1nc(CN2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])CC2)no1 ZINC000827631801 603772179 /nfs/dbraw/zinc/77/21/79/603772179.db2.gz JJGCMARESAYJDB-GHMZBOCLSA-N -1 0 353.379 -0.611 20 0 FBADRM CCc1nc(CN2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])CC2)no1 ZINC000827631802 603772156 /nfs/dbraw/zinc/77/21/56/603772156.db2.gz JJGCMARESAYJDB-MNOVXSKESA-N -1 0 353.379 -0.611 20 0 FBADRM CCc1nc(CN2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])CC2)no1 ZINC000827631803 603772183 /nfs/dbraw/zinc/77/21/83/603772183.db2.gz JJGCMARESAYJDB-QWRGUYRKSA-N -1 0 353.379 -0.611 20 0 FBADRM CCc1nc(CN2CCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])CC2)no1 ZINC000827631804 603771884 /nfs/dbraw/zinc/77/18/84/603771884.db2.gz JJGCMARESAYJDB-WDEREUQCSA-N -1 0 353.379 -0.611 20 0 FBADRM CCc1nc(CN2CCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)CC2)no1 ZINC000827631825 604851813 /nfs/dbraw/zinc/85/18/13/604851813.db2.gz KIOIQPFUUOCGIJ-LLVKDONJSA-N -1 0 353.379 -0.345 20 0 FBADRM CCc1nc(CN2CCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)CC2)no1 ZINC000827631826 604851577 /nfs/dbraw/zinc/85/15/77/604851577.db2.gz KIOIQPFUUOCGIJ-NSHDSACASA-N -1 0 353.379 -0.345 20 0 FBADRM CCc1nc(CN2CCC[C@H](NC(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])C2)no1 ZINC000827632961 603785928 /nfs/dbraw/zinc/78/59/28/603785928.db2.gz UKDLPDDEHJTUOP-QJPTWQEYSA-N -1 0 367.406 -0.174 20 0 FBADRM CCc1nc(CN2CCC[C@H](NC(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])C2)no1 ZINC000827632972 603785946 /nfs/dbraw/zinc/78/59/46/603785946.db2.gz UKDLPDDEHJTUOP-SDDRHHMPSA-N -1 0 367.406 -0.174 20 0 FBADRM CCc1nc(CN2CCC[C@H](NC(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])C2)no1 ZINC000827632974 603785729 /nfs/dbraw/zinc/78/57/29/603785729.db2.gz UKDLPDDEHJTUOP-SRVKXCTJSA-N -1 0 367.406 -0.174 20 0 FBADRM CCc1nc(CN2CCC[C@H](NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])C2)no1 ZINC000827632975 603786052 /nfs/dbraw/zinc/78/60/52/603786052.db2.gz UKDLPDDEHJTUOP-TUAOUCFPSA-N -1 0 367.406 -0.174 20 0 FBADRM CCc1nc(CN2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)no1 ZINC000827633100 604099175 /nfs/dbraw/zinc/09/91/75/604099175.db2.gz WSPNUWASCIRWCE-UHFFFAOYSA-N -1 0 359.408 -0.558 20 0 FBADRM C[C@H](NC(=O)CNc1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)N(C)C ZINC000827635084 601903992 /nfs/dbraw/zinc/90/39/92/601903992.db2.gz BINALMBVFBWGJI-JTQLQIEISA-N -1 0 350.375 -0.494 20 0 FBADRM C[C@@H](NC(=O)CNc1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)N(C)C ZINC000827635085 601903964 /nfs/dbraw/zinc/90/39/64/601903964.db2.gz BINALMBVFBWGJI-SNVBAGLBSA-N -1 0 350.375 -0.494 20 0 FBADRM C[C@H](NC(=O)CNC(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000827636302 601004827 /nfs/dbraw/zinc/00/48/27/601004827.db2.gz LEAGDOFIVUSMRC-GDLCADMTSA-N -1 0 367.377 -0.361 20 0 FBADRM C[C@@H](NC(=O)CNC(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000827636307 601004566 /nfs/dbraw/zinc/00/45/66/601004566.db2.gz LEAGDOFIVUSMRC-HONMWMINSA-N -1 0 367.377 -0.361 20 0 FBADRM COCCN(CCC(=O)OC)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000827639839 661120860 /nfs/dbraw/zinc/12/08/60/661120860.db2.gz NBBYASPJBSODNA-UHFFFAOYSA-N -1 0 360.388 -0.309 20 0 FBADRM CCc1nc2n(n1)CCC[C@@H]2NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000827642833 604245430 /nfs/dbraw/zinc/24/54/30/604245430.db2.gz LXMAWCBBGAVOGY-JTQLQIEISA-N -1 0 350.379 -0.386 20 0 FBADRM CCc1nc2n(n1)CCC[C@H]2NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000827642836 604245610 /nfs/dbraw/zinc/24/56/10/604245610.db2.gz LXMAWCBBGAVOGY-SNVBAGLBSA-N -1 0 350.379 -0.386 20 0 FBADRM C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1ccc(S(N)(=O)=O)cc1 ZINC000827644030 601272562 /nfs/dbraw/zinc/27/25/62/601272562.db2.gz AUJJCYYQABIZLN-MRVPVSSYSA-N -1 0 353.360 -0.499 20 0 FBADRM C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1ccc(S(N)(=O)=O)cc1 ZINC000827644031 601272559 /nfs/dbraw/zinc/27/25/59/601272559.db2.gz AUJJCYYQABIZLN-QMMMGPOBSA-N -1 0 353.360 -0.499 20 0 FBADRM C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1cccc(S(N)(=O)=O)c1 ZINC000827644848 601385756 /nfs/dbraw/zinc/38/57/56/601385756.db2.gz IAXPFEHHEFCKNE-MRVPVSSYSA-N -1 0 353.360 -0.499 20 0 FBADRM C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1cccc(S(N)(=O)=O)c1 ZINC000827644849 601385778 /nfs/dbraw/zinc/38/57/78/601385778.db2.gz IAXPFEHHEFCKNE-QMMMGPOBSA-N -1 0 353.360 -0.499 20 0 FBADRM CCc1nnc(CN2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)o1 ZINC000827649413 603918047 /nfs/dbraw/zinc/91/80/47/603918047.db2.gz XFWLNYCPZHLEDH-UHFFFAOYSA-N -1 0 359.408 -0.558 20 0 FBADRM CCc1nnc(CN2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)n1C ZINC000827649664 604099517 /nfs/dbraw/zinc/09/95/17/604099517.db2.gz ZUAXLBRDNJXFCZ-UHFFFAOYSA-N -1 0 372.451 -0.813 20 0 FBADRM CCC1N=NC(=S)N1CCNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000827655848 603874463 /nfs/dbraw/zinc/87/44/63/603874463.db2.gz MGUQARASHGUGBY-UHFFFAOYSA-N -1 0 356.408 -0.932 20 0 FBADRM CCc1nncn1CCNC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000827656291 603436970 /nfs/dbraw/zinc/43/69/70/603436970.db2.gz PHYJHVIPZBAJCD-UHFFFAOYSA-N -1 0 353.427 -0.223 20 0 FBADRM CCc1nncn1CCNC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000827662346 604008925 /nfs/dbraw/zinc/00/89/25/604008925.db2.gz CWJDNWFAAPSSDO-UHFFFAOYSA-N -1 0 353.427 -0.175 20 0 FBADRM CCc1noc([C@H](C)N2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])CC2)n1 ZINC000827662966 603786044 /nfs/dbraw/zinc/78/60/44/603786044.db2.gz JHPWVWHNDKARDL-QJPTWQEYSA-N -1 0 367.406 -0.050 20 0 FBADRM CCc1noc([C@H](C)N2CCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])CC2)n1 ZINC000827663178 603786114 /nfs/dbraw/zinc/78/61/14/603786114.db2.gz JHPWVWHNDKARDL-SDDRHHMPSA-N -1 0 367.406 -0.050 20 0 FBADRM CCc1noc([C@H](C)N2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])CC2)n1 ZINC000827663179 603785567 /nfs/dbraw/zinc/78/55/67/603785567.db2.gz JHPWVWHNDKARDL-SRVKXCTJSA-N -1 0 367.406 -0.050 20 0 FBADRM CCc1noc([C@H](C)N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])CC2)n1 ZINC000827663180 603785981 /nfs/dbraw/zinc/78/59/81/603785981.db2.gz JHPWVWHNDKARDL-TUAOUCFPSA-N -1 0 367.406 -0.050 20 0 FBADRM CCc1nsc(N2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])CC2)n1 ZINC000827674644 603867103 /nfs/dbraw/zinc/86/71/03/603867103.db2.gz CYBFYXPJGZLKDS-NXEZZACHSA-N -1 0 355.420 -0.138 20 0 FBADRM CCc1nsc(N2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])CC2)n1 ZINC000827674645 603867230 /nfs/dbraw/zinc/86/72/30/603867230.db2.gz CYBFYXPJGZLKDS-UWVGGRQHSA-N -1 0 355.420 -0.138 20 0 FBADRM CCc1nsc(N2CCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])CC2)n1 ZINC000827674646 603867069 /nfs/dbraw/zinc/86/70/69/603867069.db2.gz CYBFYXPJGZLKDS-VHSXEESVSA-N -1 0 355.420 -0.138 20 0 FBADRM CCc1nsc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])CC2)n1 ZINC000827674647 603867185 /nfs/dbraw/zinc/86/71/85/603867185.db2.gz CYBFYXPJGZLKDS-ZJUUUORDSA-N -1 0 355.420 -0.138 20 0 FBADRM CCc1noc(CN2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)n1 ZINC000827674948 603917944 /nfs/dbraw/zinc/91/79/44/603917944.db2.gz HKJCZTFLHZAGEX-UHFFFAOYSA-N -1 0 359.408 -0.558 20 0 FBADRM CCc1ocnc1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000827679414 603940185 /nfs/dbraw/zinc/94/01/85/603940185.db2.gz DIGYRAZGCAXXDA-UHFFFAOYSA-N -1 0 372.403 -0.313 20 0 FBADRM CCn1c2nnc(Cn3nnnc3CNC(=O)[O-])n2c2ccccc2c1=O ZINC000827681002 604032079 /nfs/dbraw/zinc/03/20/79/604032079.db2.gz LJSTUWJPXVBVNQ-UHFFFAOYSA-N -1 0 369.345 -0.134 20 0 FBADRM C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000827686824 601080421 /nfs/dbraw/zinc/08/04/21/601080421.db2.gz GSIHSKVYFAOCQD-BXKDBHETSA-N -1 0 373.369 -0.517 20 0 FBADRM C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000827686825 601080691 /nfs/dbraw/zinc/08/06/91/601080691.db2.gz GSIHSKVYFAOCQD-CABZTGNLSA-N -1 0 373.369 -0.517 20 0 FBADRM C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000827686826 601080743 /nfs/dbraw/zinc/08/07/43/601080743.db2.gz GSIHSKVYFAOCQD-JOYOIKCWSA-N -1 0 373.369 -0.517 20 0 FBADRM C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000827686827 601080559 /nfs/dbraw/zinc/08/05/59/601080559.db2.gz GSIHSKVYFAOCQD-SKDRFNHKSA-N -1 0 373.369 -0.517 20 0 FBADRM CCn1c(=O)n(CN2CCNC(=O)C2)nc1C1CCN(C(=O)[O-])CC1 ZINC000827687143 604431637 /nfs/dbraw/zinc/43/16/37/604431637.db2.gz ANSSIXUYLCJEPO-UHFFFAOYSA-N -1 0 352.395 -0.689 20 0 FBADRM CCn1c(C)nnc1CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000827687822 604099420 /nfs/dbraw/zinc/09/94/20/604099420.db2.gz ILNCRXANRIJIRA-UHFFFAOYSA-N -1 0 372.451 -0.584 20 0 FBADRM CCn1c(=O)n(CN2CCNC(=O)CC2)nc1C1CCN(C(=O)[O-])CC1 ZINC000827688883 604434317 /nfs/dbraw/zinc/43/43/17/604434317.db2.gz ZYJXOWCRTCKUEB-UHFFFAOYSA-N -1 0 366.422 -0.299 20 0 FBADRM CCN1C(=S)N=NC1CCNC(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000827693451 605711239 /nfs/dbraw/zinc/71/12/39/605711239.db2.gz BGPWKHUVCGDCSI-UHFFFAOYSA-N -1 0 356.452 -0.023 20 0 FBADRM CCn1c(N)c(C(=O)CN2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)c(=O)[nH]c1=O ZINC000827693688 604597428 /nfs/dbraw/zinc/59/74/28/604597428.db2.gz IZSDNFNOXGIWDR-PSASIEDQSA-N -1 0 369.378 -0.909 20 0 FBADRM CCn1c(N)c(C(=O)CN2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)c(=O)[nH]c1=O ZINC000827693690 604597472 /nfs/dbraw/zinc/59/74/72/604597472.db2.gz IZSDNFNOXGIWDR-SCZZXKLOSA-N -1 0 369.378 -0.909 20 0 FBADRM CCn1c(N)c(C(=O)CN2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)c(=O)[nH]c1=O ZINC000827693692 604597363 /nfs/dbraw/zinc/59/73/63/604597363.db2.gz IZSDNFNOXGIWDR-WCBMZHEXSA-N -1 0 369.378 -0.909 20 0 FBADRM CCn1c(N)c(C(=O)CN2CCO[C@H]([C@H](C)NC(=O)[O-])C2)c(=O)[nH]c1=O ZINC000827693694 604597496 /nfs/dbraw/zinc/59/74/96/604597496.db2.gz IZSDNFNOXGIWDR-WPRPVWTQSA-N -1 0 369.378 -0.909 20 0 FBADRM CCn1c(N)c(C(=O)CN2CCN(C(=O)[O-])CC2(C)C)c(=O)[nH]c1=O ZINC000827694263 605471213 /nfs/dbraw/zinc/47/12/13/605471213.db2.gz SGIMRRUEFCRZLX-UHFFFAOYSA-N -1 0 353.379 -0.192 20 0 FBADRM CCn1c(N)c(C(=O)CN(C)CC(C)(C)CNC(=O)[O-])c(=O)[nH]c1=O ZINC000827694273 603627805 /nfs/dbraw/zinc/62/78/05/603627805.db2.gz SNEMTUBSMJMOLL-UHFFFAOYSA-N -1 0 355.395 -0.041 20 0 FBADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000827694428 604996097 /nfs/dbraw/zinc/99/60/97/604996097.db2.gz FSRRSELEJJTYHQ-SECBINFHSA-N -1 0 372.374 -0.101 20 0 FBADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000827694429 604996087 /nfs/dbraw/zinc/99/60/87/604996087.db2.gz FSRRSELEJJTYHQ-VIFPVBQESA-N -1 0 372.374 -0.101 20 0 FBADRM CCn1c(N)c(C(=O)CN(C)C2CCN(C(=O)[O-])CC2)c(=O)[nH]c1=O ZINC000827694474 605472006 /nfs/dbraw/zinc/47/20/06/605472006.db2.gz UHRZHWVWTUCTGI-UHFFFAOYSA-N -1 0 353.379 -0.192 20 0 FBADRM CCn1c(N)c(C(=O)CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(=O)[nH]c1=O ZINC000827694564 603980697 /nfs/dbraw/zinc/98/06/97/603980697.db2.gz UVAITZPVCYSQNK-ZJUUUORDSA-N -1 0 365.390 -0.050 20 0 FBADRM CCn1c(N)c(C(=O)CN2CCC[C@@H]2CN(C)C(=O)[O-])c(=O)[nH]c1=O ZINC000827694949 605471949 /nfs/dbraw/zinc/47/19/49/605471949.db2.gz YUVAAEDQDDTTBM-SECBINFHSA-N -1 0 353.379 -0.192 20 0 FBADRM CCn1c(N)c(C(=O)CN2CCC[C@H]2CN(C)C(=O)[O-])c(=O)[nH]c1=O ZINC000827694952 605471343 /nfs/dbraw/zinc/47/13/43/605471343.db2.gz YUVAAEDQDDTTBM-VIFPVBQESA-N -1 0 353.379 -0.192 20 0 FBADRM CCn1cc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)cn1 ZINC000827694990 603937947 /nfs/dbraw/zinc/93/79/47/603937947.db2.gz ZGQYHAPYSFCWKG-UHFFFAOYSA-N -1 0 371.419 -0.647 20 0 FBADRM CCn1cc(NC(=O)C(=O)NCCCN2CCN(C(=O)[O-])CC2)cn1 ZINC000827699796 603776026 /nfs/dbraw/zinc/77/60/26/603776026.db2.gz DFKFUOIKTRSASV-UHFFFAOYSA-N -1 0 352.395 -0.357 20 0 FBADRM CCn1cc(NC(=O)C(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)ccc1=O ZINC000827700378 604750410 /nfs/dbraw/zinc/75/04/10/604750410.db2.gz LPCLUMFFOIXKSB-CMPLNLGQSA-N -1 0 366.374 -0.310 20 0 FBADRM CCn1cc(NC(=O)C(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)ccc1=O ZINC000827700379 604750235 /nfs/dbraw/zinc/75/02/35/604750235.db2.gz LPCLUMFFOIXKSB-JQWIXIFHSA-N -1 0 366.374 -0.310 20 0 FBADRM CCn1cc(NC(=O)C(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)ccc1=O ZINC000827700380 604750292 /nfs/dbraw/zinc/75/02/92/604750292.db2.gz LPCLUMFFOIXKSB-PWSUYJOCSA-N -1 0 366.374 -0.310 20 0 FBADRM CCn1cc(NC(=O)C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)ccc1=O ZINC000827700381 604750499 /nfs/dbraw/zinc/75/04/99/604750499.db2.gz LPCLUMFFOIXKSB-ZYHUDNBSSA-N -1 0 366.374 -0.310 20 0 FBADRM CCn1cc(N2C(=O)C[C@H](N3CCO[C@H]([C@H](C)NC(=O)[O-])C3)C2=O)cn1 ZINC000827700580 604417978 /nfs/dbraw/zinc/41/79/78/604417978.db2.gz NVDLLJVZEFKNEE-DRZSPHRISA-N -1 0 365.390 -0.108 20 0 FBADRM CCn1cc(N2C(=O)C[C@H](N3CCO[C@@H]([C@@H](C)NC(=O)[O-])C3)C2=O)cn1 ZINC000827700581 604417914 /nfs/dbraw/zinc/41/79/14/604417914.db2.gz NVDLLJVZEFKNEE-KGYLQXTDSA-N -1 0 365.390 -0.108 20 0 FBADRM CCn1cc(N2C(=O)C[C@H](N3CCO[C@@H]([C@H](C)NC(=O)[O-])C3)C2=O)cn1 ZINC000827700582 604417891 /nfs/dbraw/zinc/41/78/91/604417891.db2.gz NVDLLJVZEFKNEE-WCFLWFBJSA-N -1 0 365.390 -0.108 20 0 FBADRM CCn1cc(N2C(=O)C[C@H](N3CCO[C@H]([C@@H](C)NC(=O)[O-])C3)C2=O)cn1 ZINC000827700583 604417963 /nfs/dbraw/zinc/41/79/63/604417963.db2.gz NVDLLJVZEFKNEE-WXHSDQCUSA-N -1 0 365.390 -0.108 20 0 FBADRM C[C@](NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)(C(=O)[O-])C1CC1 ZINC000827703006 600961911 /nfs/dbraw/zinc/96/19/11/600961911.db2.gz GTZDKGCZUPLSFB-CYBMUJFWSA-N -1 0 359.360 -0.974 20 0 FBADRM C[C@@](NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)(C(=O)[O-])C1CC1 ZINC000827703007 600961894 /nfs/dbraw/zinc/96/18/94/600961894.db2.gz GTZDKGCZUPLSFB-ZDUSSCGKSA-N -1 0 359.360 -0.974 20 0 FBADRM C[C@@](NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)(C(=O)[O-])C1CC1 ZINC000827703623 600890141 /nfs/dbraw/zinc/89/01/41/600890141.db2.gz QYFZLWUPFMHJRF-HNNXBMFYSA-N -1 0 354.384 -0.071 20 0 FBADRM C[C@](NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)(C(=O)[O-])C1CC1 ZINC000827703624 600890094 /nfs/dbraw/zinc/89/00/94/600890094.db2.gz QYFZLWUPFMHJRF-OAHLLOKOSA-N -1 0 354.384 -0.071 20 0 FBADRM CCn1cncc1S(=O)(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000827705738 603503468 /nfs/dbraw/zinc/50/34/68/603503468.db2.gz DEBUSRZOEMIFBC-UHFFFAOYSA-N -1 0 359.408 -0.654 20 0 FBADRM CCn1ccnc1CN1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000827706166 604004845 /nfs/dbraw/zinc/00/48/45/604004845.db2.gz IHJYXXMWHJECQP-UHFFFAOYSA-N -1 0 351.407 -0.074 20 0 FBADRM CCn1ccnc1CN1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000827706184 603784084 /nfs/dbraw/zinc/78/40/84/603784084.db2.gz IPKHXWZRBGIXCM-CHWSQXEVSA-N -1 0 351.407 -0.340 20 0 FBADRM CCn1ccnc1CN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000827706193 603784242 /nfs/dbraw/zinc/78/42/42/603784242.db2.gz IPKHXWZRBGIXCM-OLZOCXBDSA-N -1 0 351.407 -0.340 20 0 FBADRM CCn1ccnc1CN1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000827706194 603783965 /nfs/dbraw/zinc/78/39/65/603783965.db2.gz IPKHXWZRBGIXCM-QWHCGFSZSA-N -1 0 351.407 -0.340 20 0 FBADRM CCn1ccnc1CN1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000827706196 603784081 /nfs/dbraw/zinc/78/40/81/603784081.db2.gz IPKHXWZRBGIXCM-STQMWFEESA-N -1 0 351.407 -0.340 20 0 FBADRM CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)c1 ZINC000827707019 603446157 /nfs/dbraw/zinc/44/61/57/603446157.db2.gz OFPFHCVTZZRRBL-LLVKDONJSA-N -1 0 373.435 -0.313 20 0 FBADRM CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)c1 ZINC000827707020 603446242 /nfs/dbraw/zinc/44/62/42/603446242.db2.gz OFPFHCVTZZRRBL-NSHDSACASA-N -1 0 373.435 -0.313 20 0 FBADRM CCn1ccnc1CN1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827707034 604890788 /nfs/dbraw/zinc/89/07/88/604890788.db2.gz OLOYXFWRFOSXAQ-CYBMUJFWSA-N -1 0 351.407 -0.074 20 0 FBADRM CCn1ccnc1CN1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827707035 604890834 /nfs/dbraw/zinc/89/08/34/604890834.db2.gz OLOYXFWRFOSXAQ-ZDUSSCGKSA-N -1 0 351.407 -0.074 20 0 FBADRM CCn1cncc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000827707344 603503287 /nfs/dbraw/zinc/50/32/87/603503287.db2.gz SHRVKDUXOHUBLU-LLVKDONJSA-N -1 0 373.435 -0.313 20 0 FBADRM CCn1cncc1S(=O)(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000827707345 603503581 /nfs/dbraw/zinc/50/35/81/603503581.db2.gz SHRVKDUXOHUBLU-NSHDSACASA-N -1 0 373.435 -0.313 20 0 FBADRM CCn1cnc(S(=O)(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)c1 ZINC000827707628 603446257 /nfs/dbraw/zinc/44/62/57/603446257.db2.gz VPUGPRJBDRPLCC-UHFFFAOYSA-N -1 0 359.408 -0.654 20 0 FBADRM CCn1ccnc1CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000827707632 603917980 /nfs/dbraw/zinc/91/79/80/603917980.db2.gz VRQBDHVHGADYPK-UHFFFAOYSA-N -1 0 357.436 -0.287 20 0 FBADRM CCn1nc(C(=O)Nc2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)ccc1=O ZINC000827711378 603955665 /nfs/dbraw/zinc/95/56/65/603955665.db2.gz QYHIWQWEBUZPDP-UHFFFAOYSA-N -1 0 362.350 -0.566 20 0 FBADRM CCn1nc(C)c(S(=O)(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c1C ZINC000827718188 603108294 /nfs/dbraw/zinc/10/82/94/603108294.db2.gz WOHHYDMYJJGERC-UHFFFAOYSA-N -1 0 373.435 -0.380 20 0 FBADRM CCn1nc2c(cc1=O)CN(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000827724194 604276264 /nfs/dbraw/zinc/27/62/64/604276264.db2.gz HWCNTZCIMQLJEF-GFCCVEGCSA-N -1 0 350.375 -0.083 20 0 FBADRM CCn1nc2c(cc1=O)CN(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000827724195 604276273 /nfs/dbraw/zinc/27/62/73/604276273.db2.gz HWCNTZCIMQLJEF-LBPRGKRZSA-N -1 0 350.375 -0.083 20 0 FBADRM CN(C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827730872 604922910 /nfs/dbraw/zinc/92/29/10/604922910.db2.gz UHWIYLMFGNVUFJ-JTQLQIEISA-N -1 0 370.387 -0.517 20 0 FBADRM CN(C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827730873 604922654 /nfs/dbraw/zinc/92/26/54/604922654.db2.gz UHWIYLMFGNVUFJ-SNVBAGLBSA-N -1 0 370.387 -0.517 20 0 FBADRM CN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)[C@H]1CCN(C(=O)[O-])C1 ZINC000827738116 603705978 /nfs/dbraw/zinc/70/59/78/603705978.db2.gz GUDAPEDEHNRELC-JTQLQIEISA-N -1 0 354.388 -0.305 20 0 FBADRM CN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827738117 603705942 /nfs/dbraw/zinc/70/59/42/603705942.db2.gz GUDAPEDEHNRELC-SNVBAGLBSA-N -1 0 354.388 -0.305 20 0 FBADRM CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000827738273 603788569 /nfs/dbraw/zinc/78/85/69/603788569.db2.gz IFVUOTFSZPPGJL-CIUDSAMLSA-N -1 0 353.297 -0.279 20 0 FBADRM CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000827738275 603788575 /nfs/dbraw/zinc/78/85/75/603788575.db2.gz IFVUOTFSZPPGJL-HLTSFMKQSA-N -1 0 353.297 -0.279 20 0 FBADRM CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000827738276 603788622 /nfs/dbraw/zinc/78/86/22/603788622.db2.gz IFVUOTFSZPPGJL-VGMNWLOBSA-N -1 0 353.297 -0.279 20 0 FBADRM CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000827738278 603788348 /nfs/dbraw/zinc/78/83/48/603788348.db2.gz IFVUOTFSZPPGJL-YIZRAAEISA-N -1 0 353.297 -0.279 20 0 FBADRM CN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827738927 603705993 /nfs/dbraw/zinc/70/59/93/603705993.db2.gz LXUNFUPSHZWBLW-LLVKDONJSA-N -1 0 354.388 -0.305 20 0 FBADRM CN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827738929 603705858 /nfs/dbraw/zinc/70/58/58/603705858.db2.gz LXUNFUPSHZWBLW-NSHDSACASA-N -1 0 354.388 -0.305 20 0 FBADRM CN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827738946 603710696 /nfs/dbraw/zinc/71/06/96/603710696.db2.gz MBRUMJWRAWXCKW-KBPBESRZSA-N -1 0 368.434 -0.622 20 0 FBADRM CN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827739077 603710458 /nfs/dbraw/zinc/71/04/58/603710458.db2.gz MBRUMJWRAWXCKW-KGLIPLIRSA-N -1 0 368.434 -0.622 20 0 FBADRM CN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827739079 603710548 /nfs/dbraw/zinc/71/05/48/603710548.db2.gz MBRUMJWRAWXCKW-UONOGXRCSA-N -1 0 368.434 -0.622 20 0 FBADRM CN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827739082 603710238 /nfs/dbraw/zinc/71/02/38/603710238.db2.gz MBRUMJWRAWXCKW-ZIAGYGMSSA-N -1 0 368.434 -0.622 20 0 FBADRM CN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827739143 603688507 /nfs/dbraw/zinc/68/85/07/603688507.db2.gz NCCOWSCIGQGZGM-GRYCIOLGSA-N -1 0 373.431 -0.767 20 0 FBADRM CN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827739145 603688473 /nfs/dbraw/zinc/68/84/73/603688473.db2.gz NCCOWSCIGQGZGM-IJLUTSLNSA-N -1 0 373.431 -0.767 20 0 FBADRM CN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827739147 603688496 /nfs/dbraw/zinc/68/84/96/603688496.db2.gz NCCOWSCIGQGZGM-UTUOFQBUSA-N -1 0 373.431 -0.767 20 0 FBADRM CN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827739148 603688591 /nfs/dbraw/zinc/68/85/91/603688591.db2.gz NCCOWSCIGQGZGM-WOPDTQHZSA-N -1 0 373.431 -0.767 20 0 FBADRM CN(C(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C1CCN(S(C)(=O)=O)CC1 ZINC000827739707 604325030 /nfs/dbraw/zinc/32/50/30/604325030.db2.gz QMZXPWFKRLRDGT-CYBMUJFWSA-N -1 0 351.400 -0.039 20 0 FBADRM CN(C(=O)[C@]1(F)CCN(C(=O)[O-])C1)C1CCN(S(C)(=O)=O)CC1 ZINC000827739709 604325199 /nfs/dbraw/zinc/32/51/99/604325199.db2.gz QMZXPWFKRLRDGT-ZDUSSCGKSA-N -1 0 351.400 -0.039 20 0 FBADRM CN(C(=O)C1CCN(c2ccc3nnnn3n2)CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827745128 603680636 /nfs/dbraw/zinc/68/06/36/603680636.db2.gz FNCHAWKGIULFPI-GFCCVEGCSA-N -1 0 374.405 -0.054 20 0 FBADRM CN(C(=O)C1CCN(c2ccc3nnnn3n2)CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827745129 603680540 /nfs/dbraw/zinc/68/05/40/603680540.db2.gz FNCHAWKGIULFPI-LBPRGKRZSA-N -1 0 374.405 -0.054 20 0 FBADRM CN(C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827745659 603991624 /nfs/dbraw/zinc/99/16/24/603991624.db2.gz NSFXXCMXCDEHJR-BXKDBHETSA-N -1 0 354.388 -0.073 20 0 FBADRM CN(C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827745660 603991794 /nfs/dbraw/zinc/99/17/94/603991794.db2.gz NSFXXCMXCDEHJR-CABZTGNLSA-N -1 0 354.388 -0.073 20 0 FBADRM CN(C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827745661 603991615 /nfs/dbraw/zinc/99/16/15/603991615.db2.gz NSFXXCMXCDEHJR-JOYOIKCWSA-N -1 0 354.388 -0.073 20 0 FBADRM CN(C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827745662 603991804 /nfs/dbraw/zinc/99/18/04/603991804.db2.gz NSFXXCMXCDEHJR-SKDRFNHKSA-N -1 0 354.388 -0.073 20 0 FBADRM CN(C(=O)C1CCN(S(N)(=O)=O)CC1)C1CCC(NC(=O)[O-])CC1 ZINC000827746722 603485960 /nfs/dbraw/zinc/48/59/60/603485960.db2.gz URRPDJQMBJAFJO-UHFFFAOYSA-N -1 0 362.452 -0.061 20 0 FBADRM CN(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000827746802 604904949 /nfs/dbraw/zinc/90/49/49/604904949.db2.gz VLWTXQZZIVTWCN-BDAKNGLRSA-N -1 0 353.297 -0.013 20 0 FBADRM CN(C(=O)[C@H]1CN(C(=O)[O-])CCO1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000827746804 604905246 /nfs/dbraw/zinc/90/52/46/604905246.db2.gz VLWTXQZZIVTWCN-DTWKUNHWSA-N -1 0 353.297 -0.013 20 0 FBADRM CN(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000827746806 604905465 /nfs/dbraw/zinc/90/54/65/604905465.db2.gz VLWTXQZZIVTWCN-IUCAKERBSA-N -1 0 353.297 -0.013 20 0 FBADRM CN(C(=O)[C@H]1CN(C(=O)[O-])CCO1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000827746808 604904872 /nfs/dbraw/zinc/90/48/72/604904872.db2.gz VLWTXQZZIVTWCN-RKDXNWHRSA-N -1 0 353.297 -0.013 20 0 FBADRM C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000827746980 600991995 /nfs/dbraw/zinc/99/19/95/600991995.db2.gz IHAYPCACIPYRNI-SECBINFHSA-N -1 0 365.433 -0.364 20 0 FBADRM C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000827746988 600992274 /nfs/dbraw/zinc/99/22/74/600992274.db2.gz IHAYPCACIPYRNI-VIFPVBQESA-N -1 0 365.433 -0.364 20 0 FBADRM CN(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C1CCN(S(C)(=O)=O)CC1 ZINC000827752390 604298299 /nfs/dbraw/zinc/29/82/99/604298299.db2.gz LZNKIQJLOOKDMA-GFCCVEGCSA-N -1 0 363.436 -0.362 20 0 FBADRM CN(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)C1CCN(S(C)(=O)=O)CC1 ZINC000827752391 604298460 /nfs/dbraw/zinc/29/84/60/604298460.db2.gz LZNKIQJLOOKDMA-LBPRGKRZSA-N -1 0 363.436 -0.362 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC(C)(C)CC(=O)[O-] ZINC000827753226 601943090 /nfs/dbraw/zinc/94/30/90/601943090.db2.gz AFPXIZNTXHQOCR-SECBINFHSA-N -1 0 371.415 -0.178 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC(C)(C)CC(=O)[O-] ZINC000827753230 601943192 /nfs/dbraw/zinc/94/31/92/601943192.db2.gz AFPXIZNTXHQOCR-VIFPVBQESA-N -1 0 371.415 -0.178 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)C(C)(C)C(=O)[O-] ZINC000827753719 601941622 /nfs/dbraw/zinc/94/16/22/601941622.db2.gz DOQPTDXZJISGJH-SECBINFHSA-N -1 0 371.415 -0.226 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)C(C)(C)C(=O)[O-] ZINC000827753721 601941599 /nfs/dbraw/zinc/94/15/99/601941599.db2.gz DOQPTDXZJISGJH-VIFPVBQESA-N -1 0 371.415 -0.226 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000827753931 601943028 /nfs/dbraw/zinc/94/30/28/601943028.db2.gz GTKGXHGKXUWSHW-PELKAZGASA-N -1 0 369.399 -0.568 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000827753933 601943267 /nfs/dbraw/zinc/94/32/67/601943267.db2.gz GTKGXHGKXUWSHW-PRHODGIISA-N -1 0 369.399 -0.568 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000827753936 601942957 /nfs/dbraw/zinc/94/29/57/601942957.db2.gz GTKGXHGKXUWSHW-QPUJVOFHSA-N -1 0 369.399 -0.568 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000827753939 601943113 /nfs/dbraw/zinc/94/31/13/601943113.db2.gz GTKGXHGKXUWSHW-UFBFGSQYSA-N -1 0 369.399 -0.568 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC(C)(C)C(=O)[O-] ZINC000827754304 601939402 /nfs/dbraw/zinc/93/94/02/601939402.db2.gz JVQHXKMPUJOXCO-MRVPVSSYSA-N -1 0 357.388 -0.568 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC(C)(C)C(=O)[O-] ZINC000827754307 601939531 /nfs/dbraw/zinc/93/95/31/601939531.db2.gz JVQHXKMPUJOXCO-QMMMGPOBSA-N -1 0 357.388 -0.568 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCCCC(=O)[O-] ZINC000827754332 601938514 /nfs/dbraw/zinc/93/85/14/601938514.db2.gz KAQZQKPAEQPLTQ-JTQLQIEISA-N -1 0 371.415 -0.177 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCCCC(=O)[O-] ZINC000827754335 601938679 /nfs/dbraw/zinc/93/86/79/601938679.db2.gz KAQZQKPAEQPLTQ-SNVBAGLBSA-N -1 0 371.415 -0.177 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(CC(=O)[O-])C1CC1 ZINC000827755386 601943354 /nfs/dbraw/zinc/94/33/54/601943354.db2.gz PYIXJAHEOMSTDQ-SECBINFHSA-N -1 0 369.399 -0.472 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(CC(=O)[O-])C1CC1 ZINC000827755391 601943332 /nfs/dbraw/zinc/94/33/32/601943332.db2.gz PYIXJAHEOMSTDQ-VIFPVBQESA-N -1 0 369.399 -0.472 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCC(C)(C)C(=O)[O-] ZINC000827755856 601944634 /nfs/dbraw/zinc/94/46/34/601944634.db2.gz UONJANAAYANAKN-SECBINFHSA-N -1 0 371.415 -0.321 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCC(C)(C)C(=O)[O-] ZINC000827755858 601945041 /nfs/dbraw/zinc/94/50/41/601945041.db2.gz UONJANAAYANAKN-VIFPVBQESA-N -1 0 371.415 -0.321 20 0 FBADRM CN(C(=O)CCn1cc(S(N)(=O)=O)cn1)C1CCC(NC(=O)[O-])CC1 ZINC000827758760 603470793 /nfs/dbraw/zinc/47/07/93/603470793.db2.gz CZEKWUZSKROLIK-UHFFFAOYSA-N -1 0 373.435 -0.042 20 0 FBADRM CN(C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827758902 603710663 /nfs/dbraw/zinc/71/06/63/603710663.db2.gz JIVUNLAPKSITGL-MRVPVSSYSA-N -1 0 364.362 -0.495 20 0 FBADRM CN(C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000827758903 603710685 /nfs/dbraw/zinc/71/06/85/603710685.db2.gz JIVUNLAPKSITGL-QMMMGPOBSA-N -1 0 364.362 -0.495 20 0 FBADRM CN(C(=O)CCNS(=O)(=O)c1cccnc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827759356 603708089 /nfs/dbraw/zinc/70/80/89/603708089.db2.gz RKYLOUJANYTLQH-LLVKDONJSA-N -1 0 356.404 -0.039 20 0 FBADRM CN(C(=O)CCNS(=O)(=O)c1cccnc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827759377 603708028 /nfs/dbraw/zinc/70/80/28/603708028.db2.gz RKYLOUJANYTLQH-NSHDSACASA-N -1 0 356.404 -0.039 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCSCC(=O)[O-] ZINC000827760267 601679931 /nfs/dbraw/zinc/67/99/31/601679931.db2.gz HTYZIRBDOLXOMS-MRVPVSSYSA-N -1 0 350.422 -0.979 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCSCC(=O)[O-] ZINC000827760268 601680002 /nfs/dbraw/zinc/68/00/02/601680002.db2.gz HTYZIRBDOLXOMS-QMMMGPOBSA-N -1 0 350.422 -0.979 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CC(=O)[O-])C1CCCC1 ZINC000827760645 601872968 /nfs/dbraw/zinc/87/29/68/601872968.db2.gz MKPLCSAYNMNQIZ-JTQLQIEISA-N -1 0 358.420 -0.057 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CC(=O)[O-])C1CCCC1 ZINC000827760646 601872845 /nfs/dbraw/zinc/87/28/45/601872845.db2.gz MKPLCSAYNMNQIZ-SNVBAGLBSA-N -1 0 358.420 -0.057 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000827761279 601688887 /nfs/dbraw/zinc/68/88/87/601688887.db2.gz WJKJNLUGLGUZRV-JTQLQIEISA-N -1 0 374.419 -0.773 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000827761282 601688818 /nfs/dbraw/zinc/68/88/18/601688818.db2.gz WJKJNLUGLGUZRV-SNVBAGLBSA-N -1 0 374.419 -0.773 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000827761321 601683957 /nfs/dbraw/zinc/68/39/57/601683957.db2.gz WUGMKSFULQNBCK-CMPLNLGQSA-N -1 0 370.431 -0.200 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000827761324 601684009 /nfs/dbraw/zinc/68/40/09/601684009.db2.gz WUGMKSFULQNBCK-JQWIXIFHSA-N -1 0 370.431 -0.200 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000827761328 601684031 /nfs/dbraw/zinc/68/40/31/601684031.db2.gz WUGMKSFULQNBCK-PWSUYJOCSA-N -1 0 370.431 -0.200 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000827761332 601684091 /nfs/dbraw/zinc/68/40/91/601684091.db2.gz WUGMKSFULQNBCK-ZYHUDNBSSA-N -1 0 370.431 -0.200 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000827761438 601684377 /nfs/dbraw/zinc/68/43/77/601684377.db2.gz ZLWHSBCHRCNBEV-MRVPVSSYSA-N -1 0 356.360 -0.306 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000827761439 601684346 /nfs/dbraw/zinc/68/43/46/601684346.db2.gz ZLWHSBCHRCNBEV-QMMMGPOBSA-N -1 0 356.360 -0.306 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000827761440 601670427 /nfs/dbraw/zinc/67/04/27/601670427.db2.gz ZMSOATXMLBLBJA-JTQLQIEISA-N -1 0 358.420 -0.200 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000827761441 601670444 /nfs/dbraw/zinc/67/04/44/601670444.db2.gz ZMSOATXMLBLBJA-SNVBAGLBSA-N -1 0 358.420 -0.200 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000827761442 601686989 /nfs/dbraw/zinc/68/69/89/601686989.db2.gz ZMWQOHFBAGQKEH-JTQLQIEISA-N -1 0 358.420 -0.152 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000827761443 601687010 /nfs/dbraw/zinc/68/70/10/601687010.db2.gz ZMWQOHFBAGQKEH-SNVBAGLBSA-N -1 0 358.420 -0.152 20 0 FBADRM CN(C(=O)CNC(=O)CN1CCN(C(=O)[O-])CC1=O)C1CCCCC1 ZINC000827764247 603965866 /nfs/dbraw/zinc/96/58/66/603965866.db2.gz ALAGOKSZDPBBOC-UHFFFAOYSA-N -1 0 354.407 -0.284 20 0 FBADRM CN(C(=O)CN1CCN(S(C)(=O)=O)CC1)C1CCN(C(=O)[O-])CC1 ZINC000827764661 604345230 /nfs/dbraw/zinc/34/52/30/604345230.db2.gz FMBHDKMXXFYOKF-UHFFFAOYSA-N -1 0 362.452 -0.836 20 0 FBADRM CN(C(=O)CN1CCN(C(=O)[O-])CC1=O)c1ccccc1S(C)(=O)=O ZINC000827765729 604109062 /nfs/dbraw/zinc/10/90/62/604109062.db2.gz UDWYRKHVWGHANA-UHFFFAOYSA-N -1 0 369.399 -0.125 20 0 FBADRM CN(CC(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1cccnc1 ZINC000827765733 603714430 /nfs/dbraw/zinc/71/44/30/603714430.db2.gz UKNBPGOLCWITRZ-LLVKDONJSA-N -1 0 356.404 -0.087 20 0 FBADRM CN(CC(=O)N(C)[C@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1cccnc1 ZINC000827765734 603714455 /nfs/dbraw/zinc/71/44/55/603714455.db2.gz UKNBPGOLCWITRZ-NSHDSACASA-N -1 0 356.404 -0.087 20 0 FBADRM C[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000827767456 600927394 /nfs/dbraw/zinc/92/73/94/600927394.db2.gz AGOIUPRBMNKBLU-SECBINFHSA-N -1 0 357.388 -0.233 20 0 FBADRM C[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000827767457 600927237 /nfs/dbraw/zinc/92/72/37/600927237.db2.gz AGOIUPRBMNKBLU-VIFPVBQESA-N -1 0 357.388 -0.233 20 0 FBADRM C[C@@H](NS(C)(=O)=O)C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000827767587 602251508 /nfs/dbraw/zinc/25/15/08/602251508.db2.gz DUEUSGUFFHAXHV-SSDOTTSWSA-N -1 0 364.401 -0.336 20 0 FBADRM C[C@H](NS(C)(=O)=O)C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000827767588 602251657 /nfs/dbraw/zinc/25/16/57/602251657.db2.gz DUEUSGUFFHAXHV-ZETCQYMHSA-N -1 0 364.401 -0.336 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)c1nnc2n1CCCC2 ZINC000827767629 602211631 /nfs/dbraw/zinc/21/16/31/602211631.db2.gz GANCUPZHZTVTIY-SECBINFHSA-N -1 0 354.392 -0.065 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)c1nnc2n1CCCC2 ZINC000827767630 602211688 /nfs/dbraw/zinc/21/16/88/602211688.db2.gz GANCUPZHZTVTIY-VIFPVBQESA-N -1 0 354.392 -0.065 20 0 FBADRM C[C@@](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)(C(N)=O)c1ccccc1 ZINC000827767737 600730753 /nfs/dbraw/zinc/73/07/53/600730753.db2.gz JEYABMLMNINDTM-AWEZNQCLSA-N -1 0 352.372 -0.353 20 0 FBADRM C[C@](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)(C(N)=O)c1ccccc1 ZINC000827767738 600730736 /nfs/dbraw/zinc/73/07/36/600730736.db2.gz JEYABMLMNINDTM-CQSZACIVSA-N -1 0 352.372 -0.353 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(=O)NCc1ccco1 ZINC000827767927 600727955 /nfs/dbraw/zinc/72/79/55/600727955.db2.gz MUMRUDHYXRIUPA-SECBINFHSA-N -1 0 356.360 -0.456 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(=O)NCc1ccco1 ZINC000827767930 600727853 /nfs/dbraw/zinc/72/78/53/600727853.db2.gz MUMRUDHYXRIUPA-VIFPVBQESA-N -1 0 356.360 -0.456 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000827768441 600721875 /nfs/dbraw/zinc/72/18/75/600721875.db2.gz RHBLBFMICZHNEQ-LLVKDONJSA-N -1 0 366.399 -0.049 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000827768442 600722209 /nfs/dbraw/zinc/72/22/09/600722209.db2.gz RHBLBFMICZHNEQ-NSHDSACASA-N -1 0 366.399 -0.049 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000827768690 601690071 /nfs/dbraw/zinc/69/00/71/601690071.db2.gz WLUJCEPPWSQVQT-MRVPVSSYSA-N -1 0 355.376 -0.238 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000827768691 601690022 /nfs/dbraw/zinc/69/00/22/601690022.db2.gz WLUJCEPPWSQVQT-QMMMGPOBSA-N -1 0 355.376 -0.238 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000827768911 601670391 /nfs/dbraw/zinc/67/03/91/601670391.db2.gz XFVMYXJVPJWQDR-SSDOTTSWSA-N -1 0 373.416 -0.191 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000827768920 601670346 /nfs/dbraw/zinc/67/03/46/601670346.db2.gz XFVMYXJVPJWQDR-ZETCQYMHSA-N -1 0 373.416 -0.191 20 0 FBADRM CN(C(=O)CNS(=O)(=O)c1cn(C)cn1)C1CCN(C(=O)[O-])CC1 ZINC000827773888 603524073 /nfs/dbraw/zinc/52/40/73/603524073.db2.gz CUCTWAUOYFXTEA-UHFFFAOYSA-N -1 0 359.408 -0.701 20 0 FBADRM CN(C(=O)CNS(=O)(=O)c1cn(C)cn1)C1CCC(NC(=O)[O-])CC1 ZINC000827773894 603544671 /nfs/dbraw/zinc/54/46/71/603544671.db2.gz DHVXFPWRHOUDEB-UHFFFAOYSA-N -1 0 373.435 -0.264 20 0 FBADRM CN(C(=O)COc1ccc(S(N)(=O)=O)cc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827774291 604923809 /nfs/dbraw/zinc/92/38/09/604923809.db2.gz IPCKKKLFXCFFBO-JTQLQIEISA-N -1 0 357.388 -0.077 20 0 FBADRM CN(C(=O)COc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827774293 604923894 /nfs/dbraw/zinc/92/38/94/604923894.db2.gz IPCKKKLFXCFFBO-SNVBAGLBSA-N -1 0 357.388 -0.077 20 0 FBADRM CN(C(=O)COC1CN(C(=O)[O-])C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000827775275 604008036 /nfs/dbraw/zinc/00/80/36/604008036.db2.gz QKZQPLGRNSNYFX-SECBINFHSA-N -1 0 353.297 -0.013 20 0 FBADRM CN(C(=O)COC1CN(C(=O)[O-])C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000827775276 604007410 /nfs/dbraw/zinc/00/74/10/604007410.db2.gz QKZQPLGRNSNYFX-VIFPVBQESA-N -1 0 353.297 -0.013 20 0 FBADRM CN(C(=O)COCC(=O)NCc1cccnc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827775557 603710484 /nfs/dbraw/zinc/71/04/84/603710484.db2.gz TUEXCKPUEKKRJJ-CYBMUJFWSA-N -1 0 350.375 -0.075 20 0 FBADRM CN(C(=O)COCC(=O)NCc1cccnc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827775562 603710407 /nfs/dbraw/zinc/71/04/07/603710407.db2.gz TUEXCKPUEKKRJJ-ZDUSSCGKSA-N -1 0 350.375 -0.075 20 0 FBADRM CN(C(=O)CNS(=O)(=O)c1cnn(C)c1)C1CCC(NC(=O)[O-])CC1 ZINC000827776036 603473079 /nfs/dbraw/zinc/47/30/79/603473079.db2.gz WYMHSOGJYAKWPI-UHFFFAOYSA-N -1 0 373.435 -0.264 20 0 FBADRM C[C@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000827780319 600736478 /nfs/dbraw/zinc/73/64/78/600736478.db2.gz JSSQCQMQVCYDMK-GWCFXTLKSA-N -1 0 372.418 -0.236 20 0 FBADRM C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000827780321 600736333 /nfs/dbraw/zinc/73/63/33/600736333.db2.gz JSSQCQMQVCYDMK-GXFFZTMASA-N -1 0 372.418 -0.236 20 0 FBADRM C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000827780323 600736272 /nfs/dbraw/zinc/73/62/72/600736272.db2.gz JSSQCQMQVCYDMK-MFKMUULPSA-N -1 0 372.418 -0.236 20 0 FBADRM C[C@@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000827780325 600736480 /nfs/dbraw/zinc/73/64/80/600736480.db2.gz JSSQCQMQVCYDMK-ZWNOBZJWSA-N -1 0 372.418 -0.236 20 0 FBADRM CN(C(=O)Cn1cc(S(N)(=O)=O)cn1)C1CCC(NC(=O)[O-])CC1 ZINC000827781150 603606003 /nfs/dbraw/zinc/60/60/03/603606003.db2.gz FWDGBGSJFRAPCC-UHFFFAOYSA-N -1 0 359.408 -0.432 20 0 FBADRM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000827787305 600739343 /nfs/dbraw/zinc/73/93/43/600739343.db2.gz BEJGJTUMUVYLOT-GWCFXTLKSA-N -1 0 370.402 -0.291 20 0 FBADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000827787306 600739265 /nfs/dbraw/zinc/73/92/65/600739265.db2.gz BEJGJTUMUVYLOT-GXFFZTMASA-N -1 0 370.402 -0.291 20 0 FBADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000827787307 600739221 /nfs/dbraw/zinc/73/92/21/600739221.db2.gz BEJGJTUMUVYLOT-MFKMUULPSA-N -1 0 370.402 -0.291 20 0 FBADRM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000827787308 600739228 /nfs/dbraw/zinc/73/92/28/600739228.db2.gz BEJGJTUMUVYLOT-ZWNOBZJWSA-N -1 0 370.402 -0.291 20 0 FBADRM C[C@@H](O)CCN(C)C(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000827790483 601879952 /nfs/dbraw/zinc/87/99/52/601879952.db2.gz QDWMAZONYFNYEL-LLVKDONJSA-N -1 0 365.386 -0.402 20 0 FBADRM C[C@H](O)CCN(C)C(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000827790487 601879895 /nfs/dbraw/zinc/87/98/95/601879895.db2.gz QDWMAZONYFNYEL-NSHDSACASA-N -1 0 365.386 -0.402 20 0 FBADRM C[C@H](O)CCN(C)C(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000827790563 601879982 /nfs/dbraw/zinc/87/99/82/601879982.db2.gz RANLRSWVKYHMNX-JTQLQIEISA-N -1 0 351.359 -0.331 20 0 FBADRM C[C@@H](O)CCN(C)C(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000827790572 601879977 /nfs/dbraw/zinc/87/99/77/601879977.db2.gz RANLRSWVKYHMNX-SNVBAGLBSA-N -1 0 351.359 -0.331 20 0 FBADRM C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC000827795843 601354053 /nfs/dbraw/zinc/35/40/53/601354053.db2.gz DQPPYHXRHGQSET-GFCCVEGCSA-N -1 0 365.386 -0.387 20 0 FBADRM C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC000827795844 601354283 /nfs/dbraw/zinc/35/42/83/601354283.db2.gz DQPPYHXRHGQSET-LBPRGKRZSA-N -1 0 365.386 -0.387 20 0 FBADRM C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000827795897 601354245 /nfs/dbraw/zinc/35/42/45/601354245.db2.gz FVYPILWECBVAQU-GFCCVEGCSA-N -1 0 365.386 -0.387 20 0 FBADRM C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000827795898 601354040 /nfs/dbraw/zinc/35/40/40/601354040.db2.gz FVYPILWECBVAQU-LBPRGKRZSA-N -1 0 365.386 -0.387 20 0 FBADRM C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000827795995 601354229 /nfs/dbraw/zinc/35/42/29/601354229.db2.gz IQKPUZJWJZCHEP-JTQLQIEISA-N -1 0 353.350 -0.013 20 0 FBADRM C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000827795996 601354119 /nfs/dbraw/zinc/35/41/19/601354119.db2.gz IQKPUZJWJZCHEP-SNVBAGLBSA-N -1 0 353.350 -0.013 20 0 FBADRM C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)CC1 ZINC000827796012 601354348 /nfs/dbraw/zinc/35/43/48/601354348.db2.gz IXPHDWCEPPJCEN-JTQLQIEISA-N -1 0 353.350 -0.013 20 0 FBADRM C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)CC1 ZINC000827796013 601354112 /nfs/dbraw/zinc/35/41/12/601354112.db2.gz IXPHDWCEPPJCEN-SNVBAGLBSA-N -1 0 353.350 -0.013 20 0 FBADRM C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000827796084 601863962 /nfs/dbraw/zinc/86/39/62/601863962.db2.gz KZWDCZBPJOTHGC-JTQLQIEISA-N -1 0 353.350 -0.013 20 0 FBADRM C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000827796085 601864085 /nfs/dbraw/zinc/86/40/85/601864085.db2.gz KZWDCZBPJOTHGC-SNVBAGLBSA-N -1 0 353.350 -0.013 20 0 FBADRM C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000827796617 601354251 /nfs/dbraw/zinc/35/42/51/601354251.db2.gz ZREUNPMHPAFHIO-GFCCVEGCSA-N -1 0 364.402 -0.082 20 0 FBADRM C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000827796618 601354306 /nfs/dbraw/zinc/35/43/06/601354306.db2.gz ZREUNPMHPAFHIO-LBPRGKRZSA-N -1 0 364.402 -0.082 20 0 FBADRM CN(C(=O)NCCOCCS(C)(=O)=O)C1CCN(C(=O)[O-])CC1 ZINC000827801548 604042046 /nfs/dbraw/zinc/04/20/46/604042046.db2.gz UQYJXSIHTXMXHF-UHFFFAOYSA-N -1 0 351.425 -0.169 20 0 FBADRM CC(C)[C@H](C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])N1CCCS1(=O)=O ZINC000827803010 604840470 /nfs/dbraw/zinc/84/04/70/604840470.db2.gz IZDBQQYBEQQXKY-GXSJLCMTSA-N -1 0 350.393 -0.821 20 0 FBADRM CC(C)[C@@H](C(=O)O[C@H](C)C(=O)NCC(=O)[O-])N1CCCS1(=O)=O ZINC000827803014 604840453 /nfs/dbraw/zinc/84/04/53/604840453.db2.gz IZDBQQYBEQQXKY-KOLCDFICSA-N -1 0 350.393 -0.821 20 0 FBADRM CC(C)[C@H](C(=O)O[C@H](C)C(=O)NCC(=O)[O-])N1CCCS1(=O)=O ZINC000827803016 604840440 /nfs/dbraw/zinc/84/04/40/604840440.db2.gz IZDBQQYBEQQXKY-MWLCHTKSSA-N -1 0 350.393 -0.821 20 0 FBADRM CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])N1CCCS1(=O)=O ZINC000827803017 604840362 /nfs/dbraw/zinc/84/03/62/604840362.db2.gz IZDBQQYBEQQXKY-ONGXEEELSA-N -1 0 350.393 -0.821 20 0 FBADRM C[C@@H](OC(=O)C(C)(C)NC(=O)[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000827803227 600661116 /nfs/dbraw/zinc/66/11/16/600661116.db2.gz LHGBBTFATNFKRT-BDAKNGLRSA-N -1 0 350.393 -0.390 20 0 FBADRM C[C@H](OC(=O)C(C)(C)NC(=O)[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000827803228 600661090 /nfs/dbraw/zinc/66/10/90/600661090.db2.gz LHGBBTFATNFKRT-DTWKUNHWSA-N -1 0 350.393 -0.390 20 0 FBADRM C[C@H](OC(=O)C(C)(C)NC(=O)[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000827803229 600661010 /nfs/dbraw/zinc/66/10/10/600661010.db2.gz LHGBBTFATNFKRT-IUCAKERBSA-N -1 0 350.393 -0.390 20 0 FBADRM C[C@@H](OC(=O)C(C)(C)NC(=O)[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000827803230 600661151 /nfs/dbraw/zinc/66/11/51/600661151.db2.gz LHGBBTFATNFKRT-RKDXNWHRSA-N -1 0 350.393 -0.390 20 0 FBADRM C[C@H](OC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c1cn(CC(=O)[O-])nn1 ZINC000827809288 604938024 /nfs/dbraw/zinc/93/80/24/604938024.db2.gz FMMPORKFNQVRSU-GZMMTYOYSA-N -1 0 362.408 -0.069 20 0 FBADRM C[C@@H](OC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)c1cn(CC(=O)[O-])nn1 ZINC000827809290 604937958 /nfs/dbraw/zinc/93/79/58/604937958.db2.gz FMMPORKFNQVRSU-KCJUWKMLSA-N -1 0 362.408 -0.069 20 0 FBADRM C[C@H](OC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)c1cn(CC(=O)[O-])nn1 ZINC000827809292 604937931 /nfs/dbraw/zinc/93/79/31/604937931.db2.gz FMMPORKFNQVRSU-KWQFWETISA-N -1 0 362.408 -0.069 20 0 FBADRM C[C@@H](OC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c1cn(CC(=O)[O-])nn1 ZINC000827809294 604937971 /nfs/dbraw/zinc/93/79/71/604937971.db2.gz FMMPORKFNQVRSU-LDYMZIIASA-N -1 0 362.408 -0.069 20 0 FBADRM C[C@@H](OC(=O)C(C)(C)NS(C)(=O)=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000827810524 601356425 /nfs/dbraw/zinc/35/64/25/601356425.db2.gz NWCIGJAQNPFVQS-SECBINFHSA-N -1 0 364.420 -0.431 20 0 FBADRM C[C@H](OC(=O)C(C)(C)NS(C)(=O)=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000827810526 601356332 /nfs/dbraw/zinc/35/63/32/601356332.db2.gz NWCIGJAQNPFVQS-VIFPVBQESA-N -1 0 364.420 -0.431 20 0 FBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000827811914 600672651 /nfs/dbraw/zinc/67/26/51/600672651.db2.gz YFJCNJLYYASECD-GARJFASQSA-N -1 0 364.420 -0.144 20 0 FBADRM CC(C)[C@@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000827811915 600672747 /nfs/dbraw/zinc/67/27/47/600672747.db2.gz YFJCNJLYYASECD-HBNTYKKESA-N -1 0 364.420 -0.144 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)C1 ZINC000827816199 604354531 /nfs/dbraw/zinc/35/45/31/604354531.db2.gz OERUOMKODIMRLE-GFCCVEGCSA-N -1 0 362.452 -0.836 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)C1 ZINC000827816200 604354719 /nfs/dbraw/zinc/35/47/19/604354719.db2.gz OERUOMKODIMRLE-LBPRGKRZSA-N -1 0 362.452 -0.836 20 0 FBADRM C[C@H](OC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1)C(=O)NCC(=O)[O-] ZINC000827816785 600677623 /nfs/dbraw/zinc/67/76/23/600677623.db2.gz BSBFRBRHKPNSPI-CHIMOYNISA-N -1 0 366.374 -0.538 20 0 FBADRM C[C@H](OC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1)C(=O)NCC(=O)[O-] ZINC000827816786 600677510 /nfs/dbraw/zinc/67/75/10/600677510.db2.gz BSBFRBRHKPNSPI-DRCTWCGVSA-N -1 0 366.374 -0.538 20 0 FBADRM C[C@H](OC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1)C(=O)NCC(=O)[O-] ZINC000827816787 600677610 /nfs/dbraw/zinc/67/76/10/600677610.db2.gz BSBFRBRHKPNSPI-NURSFMCSSA-N -1 0 366.374 -0.538 20 0 FBADRM C[C@H](OC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1)C(=O)NCC(=O)[O-] ZINC000827816788 600677401 /nfs/dbraw/zinc/67/74/01/600677401.db2.gz BSBFRBRHKPNSPI-PXWWUCIGSA-N -1 0 366.374 -0.538 20 0 FBADRM C[C@H](OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C(=O)NCC(=O)[O-] ZINC000827817857 600676225 /nfs/dbraw/zinc/67/62/25/600676225.db2.gz POXYWDDZIGBRKP-AEJSXWLSSA-N -1 0 360.363 -0.511 20 0 FBADRM C[C@H](OC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C(=O)NCC(=O)[O-] ZINC000827817858 600676237 /nfs/dbraw/zinc/67/62/37/600676237.db2.gz POXYWDDZIGBRKP-GUBZILKMSA-N -1 0 360.363 -0.511 20 0 FBADRM C[C@H](OC(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C(=O)NCC(=O)[O-] ZINC000827817859 600676518 /nfs/dbraw/zinc/67/65/18/600676518.db2.gz POXYWDDZIGBRKP-IVZWLZJFSA-N -1 0 360.363 -0.511 20 0 FBADRM C[C@H](OC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C(=O)NCC(=O)[O-] ZINC000827817860 600676322 /nfs/dbraw/zinc/67/63/22/600676322.db2.gz POXYWDDZIGBRKP-LPEHRKFASA-N -1 0 360.363 -0.511 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)C1 ZINC000827821940 603530550 /nfs/dbraw/zinc/53/05/50/603530550.db2.gz FQAKXOKTGWNFRE-JTQLQIEISA-N -1 0 359.408 -0.701 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)C1 ZINC000827821941 603530640 /nfs/dbraw/zinc/53/06/40/603530640.db2.gz FQAKXOKTGWNFRE-SNVBAGLBSA-N -1 0 359.408 -0.701 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)NCCOCCS(C)(=O)=O)C1 ZINC000827822245 604162428 /nfs/dbraw/zinc/16/24/28/604162428.db2.gz JPTUYOQKMHZBNB-LLVKDONJSA-N -1 0 351.425 -0.169 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)NCCOCCS(C)(=O)=O)C1 ZINC000827822246 604162305 /nfs/dbraw/zinc/16/23/05/604162305.db2.gz JPTUYOQKMHZBNB-NSHDSACASA-N -1 0 351.425 -0.169 20 0 FBADRM C[C@H](OC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1cn(CC(=O)[O-])nn1 ZINC000827824886 604703487 /nfs/dbraw/zinc/70/34/87/604703487.db2.gz BFPMRTXMJUZXCR-GXSJLCMTSA-N -1 0 360.392 -0.219 20 0 FBADRM C[C@@H](OC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1cn(CC(=O)[O-])nn1 ZINC000827824888 604703383 /nfs/dbraw/zinc/70/33/83/604703383.db2.gz BFPMRTXMJUZXCR-KOLCDFICSA-N -1 0 360.392 -0.219 20 0 FBADRM C[C@@H](OC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1cn(CC(=O)[O-])nn1 ZINC000827824890 604703458 /nfs/dbraw/zinc/70/34/58/604703458.db2.gz BFPMRTXMJUZXCR-MWLCHTKSSA-N -1 0 360.392 -0.219 20 0 FBADRM C[C@H](OC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1cn(CC(=O)[O-])nn1 ZINC000827824891 604703418 /nfs/dbraw/zinc/70/34/18/604703418.db2.gz BFPMRTXMJUZXCR-ONGXEEELSA-N -1 0 360.392 -0.219 20 0 FBADRM C[C@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1cn(CC(=O)[O-])nn1 ZINC000827825339 604681660 /nfs/dbraw/zinc/68/16/60/604681660.db2.gz DOFVFWCFEAZTGP-MOVJSRMASA-N -1 0 363.330 -0.922 20 0 FBADRM C[C@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)c1cn(CC(=O)[O-])nn1 ZINC000827825340 604681599 /nfs/dbraw/zinc/68/15/99/604681599.db2.gz DOFVFWCFEAZTGP-WBSSQXGSSA-N -1 0 363.330 -0.922 20 0 FBADRM C[C@@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1cn(CC(=O)[O-])nn1 ZINC000827825341 604681736 /nfs/dbraw/zinc/68/17/36/604681736.db2.gz DOFVFWCFEAZTGP-XNPJLODASA-N -1 0 363.330 -0.922 20 0 FBADRM C[C@@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)c1cn(CC(=O)[O-])nn1 ZINC000827825342 604681753 /nfs/dbraw/zinc/68/17/53/604681753.db2.gz DOFVFWCFEAZTGP-XRVBUDJMSA-N -1 0 363.330 -0.922 20 0 FBADRM C[C@@H](OC(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)NCC(=O)[O-] ZINC000827826189 600707142 /nfs/dbraw/zinc/70/71/42/600707142.db2.gz LUYNZJJVKBKUDL-NXEZZACHSA-N -1 0 360.363 -0.245 20 0 FBADRM C[C@H](OC(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)C(=O)NCC(=O)[O-] ZINC000827826190 600707062 /nfs/dbraw/zinc/70/70/62/600707062.db2.gz LUYNZJJVKBKUDL-UWVGGRQHSA-N -1 0 360.363 -0.245 20 0 FBADRM C[C@H](OC(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)NCC(=O)[O-] ZINC000827826191 600707257 /nfs/dbraw/zinc/70/72/57/600707257.db2.gz LUYNZJJVKBKUDL-VHSXEESVSA-N -1 0 360.363 -0.245 20 0 FBADRM C[C@@H](OC(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)C(=O)NCC(=O)[O-] ZINC000827826192 600707066 /nfs/dbraw/zinc/70/70/66/600707066.db2.gz LUYNZJJVKBKUDL-ZJUUUORDSA-N -1 0 360.363 -0.245 20 0 FBADRM C[C@@H](OC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)NCC(=O)[O-] ZINC000827828059 604604053 /nfs/dbraw/zinc/60/40/53/604604053.db2.gz UZPSHEZYELURHB-NXEZZACHSA-N -1 0 360.363 -0.245 20 0 FBADRM C[C@H](OC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)NCC(=O)[O-] ZINC000827828060 604603788 /nfs/dbraw/zinc/60/37/88/604603788.db2.gz UZPSHEZYELURHB-UWVGGRQHSA-N -1 0 360.363 -0.245 20 0 FBADRM C[C@H](OC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)NCC(=O)[O-] ZINC000827828061 604603819 /nfs/dbraw/zinc/60/38/19/604603819.db2.gz UZPSHEZYELURHB-VHSXEESVSA-N -1 0 360.363 -0.245 20 0 FBADRM C[C@@H](OC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)NCC(=O)[O-] ZINC000827828062 604604167 /nfs/dbraw/zinc/60/41/67/604604167.db2.gz UZPSHEZYELURHB-ZJUUUORDSA-N -1 0 360.363 -0.245 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000827828496 604149846 /nfs/dbraw/zinc/14/98/46/604149846.db2.gz BGQQTRMYPSPCBH-LLVKDONJSA-N -1 0 359.346 -0.189 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000827828497 604149864 /nfs/dbraw/zinc/14/98/64/604149864.db2.gz BGQQTRMYPSPCBH-NSHDSACASA-N -1 0 359.346 -0.189 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C1 ZINC000827828714 603775485 /nfs/dbraw/zinc/77/54/85/603775485.db2.gz CSBXJQFZHAMDRB-GFCCVEGCSA-N -1 0 359.346 -0.189 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C1 ZINC000827828717 603775788 /nfs/dbraw/zinc/77/57/88/603775788.db2.gz CSBXJQFZHAMDRB-LBPRGKRZSA-N -1 0 359.346 -0.189 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000827828752 603608355 /nfs/dbraw/zinc/60/83/55/603608355.db2.gz DDZWTSLIGAFMJP-JTQLQIEISA-N -1 0 370.387 -0.517 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000827828754 603608670 /nfs/dbraw/zinc/60/86/70/603608670.db2.gz DDZWTSLIGAFMJP-SNVBAGLBSA-N -1 0 370.387 -0.517 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)C1 ZINC000827828817 603770522 /nfs/dbraw/zinc/77/05/22/603770522.db2.gz DXOHKMNFIVFXKU-LLVKDONJSA-N -1 0 359.346 -0.189 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)C1 ZINC000827828819 603770505 /nfs/dbraw/zinc/77/05/05/603770505.db2.gz DXOHKMNFIVFXKU-NSHDSACASA-N -1 0 359.346 -0.189 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)C1 ZINC000827829093 603775808 /nfs/dbraw/zinc/77/58/08/603775808.db2.gz GBKKTIQTZKTAQQ-JTQLQIEISA-N -1 0 359.346 -0.189 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)C1 ZINC000827829097 603775815 /nfs/dbraw/zinc/77/58/15/603775815.db2.gz GBKKTIQTZKTAQQ-SNVBAGLBSA-N -1 0 359.346 -0.189 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)C1 ZINC000827829160 603774324 /nfs/dbraw/zinc/77/43/24/603774324.db2.gz HHCDYWOJWMXTLV-LLVKDONJSA-N -1 0 359.346 -0.189 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)C1 ZINC000827829161 603774342 /nfs/dbraw/zinc/77/43/42/603774342.db2.gz HHCDYWOJWMXTLV-NSHDSACASA-N -1 0 359.346 -0.189 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)C1 ZINC000827829495 603776367 /nfs/dbraw/zinc/77/63/67/603776367.db2.gz KQQDLWZWMSLPPJ-LLVKDONJSA-N -1 0 364.358 -0.300 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)C1 ZINC000827829497 603776491 /nfs/dbraw/zinc/77/64/91/603776491.db2.gz KQQDLWZWMSLPPJ-NSHDSACASA-N -1 0 364.358 -0.300 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000827829498 603772048 /nfs/dbraw/zinc/77/20/48/603772048.db2.gz KRTAZDVIMOFQKK-JTQLQIEISA-N -1 0 370.387 -0.517 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000827829707 603771936 /nfs/dbraw/zinc/77/19/36/603771936.db2.gz KRTAZDVIMOFQKK-SNVBAGLBSA-N -1 0 370.387 -0.517 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C1 ZINC000827829773 603774177 /nfs/dbraw/zinc/77/41/77/603774177.db2.gz MIEGPLYTWVRCIF-JTQLQIEISA-N -1 0 370.387 -0.366 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C1 ZINC000827829774 603774103 /nfs/dbraw/zinc/77/41/03/603774103.db2.gz MIEGPLYTWVRCIF-SNVBAGLBSA-N -1 0 370.387 -0.366 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)C1 ZINC000827829798 603776444 /nfs/dbraw/zinc/77/64/44/603776444.db2.gz MVQYKCKRGGQYMU-LLVKDONJSA-N -1 0 364.358 -0.300 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)C1 ZINC000827829799 603776419 /nfs/dbraw/zinc/77/64/19/603776419.db2.gz MVQYKCKRGGQYMU-NSHDSACASA-N -1 0 364.358 -0.300 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)C1 ZINC000827830608 603770471 /nfs/dbraw/zinc/77/04/71/603770471.db2.gz XXADAOCJKHBERH-GFCCVEGCSA-N -1 0 359.346 -0.189 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)C1 ZINC000827830611 603770646 /nfs/dbraw/zinc/77/06/46/603770646.db2.gz XXADAOCJKHBERH-LBPRGKRZSA-N -1 0 359.346 -0.189 20 0 FBADRM C[C@@H](OC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1cn(CC(=O)[O-])nn1 ZINC000827833725 604689197 /nfs/dbraw/zinc/68/91/97/604689197.db2.gz NRMQGTBZXRDHDM-ANRSDYALSA-N -1 0 365.346 -0.313 20 0 FBADRM C[C@H](OC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1cn(CC(=O)[O-])nn1 ZINC000827833726 604689326 /nfs/dbraw/zinc/68/93/26/604689326.db2.gz NRMQGTBZXRDHDM-AYVTZFPOSA-N -1 0 365.346 -0.313 20 0 FBADRM C[C@@H](OC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1cn(CC(=O)[O-])nn1 ZINC000827833727 604689303 /nfs/dbraw/zinc/68/93/03/604689303.db2.gz NRMQGTBZXRDHDM-GLEZIHRCSA-N -1 0 365.346 -0.313 20 0 FBADRM C[C@H](OC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1cn(CC(=O)[O-])nn1 ZINC000827833728 604689187 /nfs/dbraw/zinc/68/91/87/604689187.db2.gz NRMQGTBZXRDHDM-VXJOIVPMSA-N -1 0 365.346 -0.313 20 0 FBADRM C[C@@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1cn(CC(=O)[O-])nn1 ZINC000827833731 604685539 /nfs/dbraw/zinc/68/55/39/604685539.db2.gz NWPCEZJHNITUFI-SECBINFHSA-N -1 0 365.346 -0.169 20 0 FBADRM C[C@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1cn(CC(=O)[O-])nn1 ZINC000827833732 604685627 /nfs/dbraw/zinc/68/56/27/604685627.db2.gz NWPCEZJHNITUFI-VIFPVBQESA-N -1 0 365.346 -0.169 20 0 FBADRM C[C@@H](OC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000827834278 600677556 /nfs/dbraw/zinc/67/75/56/600677556.db2.gz XHSGFVWOAHYXQM-SECBINFHSA-N -1 0 369.374 -0.428 20 0 FBADRM C[C@H](OC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000827834279 600677526 /nfs/dbraw/zinc/67/75/26/600677526.db2.gz XHSGFVWOAHYXQM-VIFPVBQESA-N -1 0 369.374 -0.428 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000827834978 603525949 /nfs/dbraw/zinc/52/59/49/603525949.db2.gz DEAYOSPDNJGVAE-IJLUTSLNSA-N -1 0 373.431 -0.767 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000827834979 603526351 /nfs/dbraw/zinc/52/63/51/603526351.db2.gz DEAYOSPDNJGVAE-QJPTWQEYSA-N -1 0 373.431 -0.767 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000827834980 603526105 /nfs/dbraw/zinc/52/61/05/603526105.db2.gz DEAYOSPDNJGVAE-TUAOUCFPSA-N -1 0 373.431 -0.767 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000827834981 603525943 /nfs/dbraw/zinc/52/59/43/603525943.db2.gz DEAYOSPDNJGVAE-UTUOFQBUSA-N -1 0 373.431 -0.767 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000827835092 603539986 /nfs/dbraw/zinc/53/99/86/603539986.db2.gz FYQWZOPQQVLANS-KBPBESRZSA-N -1 0 368.434 -0.622 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000827835093 603540000 /nfs/dbraw/zinc/54/00/00/603540000.db2.gz FYQWZOPQQVLANS-KGLIPLIRSA-N -1 0 368.434 -0.622 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000827835094 603540147 /nfs/dbraw/zinc/54/01/47/603540147.db2.gz FYQWZOPQQVLANS-UONOGXRCSA-N -1 0 368.434 -0.622 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000827835095 603540517 /nfs/dbraw/zinc/54/05/17/603540517.db2.gz FYQWZOPQQVLANS-ZIAGYGMSSA-N -1 0 368.434 -0.622 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000827835229 603995935 /nfs/dbraw/zinc/99/59/35/603995935.db2.gz IBRCMYMQMDRKCW-BXKDBHETSA-N -1 0 354.388 -0.073 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000827835230 603995582 /nfs/dbraw/zinc/99/55/82/603995582.db2.gz IBRCMYMQMDRKCW-CABZTGNLSA-N -1 0 354.388 -0.073 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000827835231 603995691 /nfs/dbraw/zinc/99/56/91/603995691.db2.gz IBRCMYMQMDRKCW-JOYOIKCWSA-N -1 0 354.388 -0.073 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000827835232 603995683 /nfs/dbraw/zinc/99/56/83/603995683.db2.gz IBRCMYMQMDRKCW-SKDRFNHKSA-N -1 0 354.388 -0.073 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 ZINC000827835441 603516549 /nfs/dbraw/zinc/51/65/49/603516549.db2.gz LPVMCVSNGKHLHA-LLVKDONJSA-N -1 0 354.388 -0.305 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 ZINC000827835442 603516512 /nfs/dbraw/zinc/51/65/12/603516512.db2.gz LPVMCVSNGKHLHA-NSHDSACASA-N -1 0 354.388 -0.305 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)C1 ZINC000827836160 603507713 /nfs/dbraw/zinc/50/77/13/603507713.db2.gz VKOXQKQLRGEVEC-GFCCVEGCSA-N -1 0 374.405 -0.054 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)C1 ZINC000827836161 603508072 /nfs/dbraw/zinc/50/80/72/603508072.db2.gz VKOXQKQLRGEVEC-LBPRGKRZSA-N -1 0 374.405 -0.054 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC000827836594 603544905 /nfs/dbraw/zinc/54/49/05/603544905.db2.gz ZVEIRUZEQJVDQY-JTQLQIEISA-N -1 0 354.388 -0.305 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC000827836596 603544784 /nfs/dbraw/zinc/54/47/84/603544784.db2.gz ZVEIRUZEQJVDQY-SNVBAGLBSA-N -1 0 354.388 -0.305 20 0 FBADRM C[C@@H](OC(=O)Cn1nnc2ccccc2c1=O)c1cn(CC(=O)[O-])nn1 ZINC000827838211 604690539 /nfs/dbraw/zinc/69/05/39/604690539.db2.gz CBYPHQIRKIHNSJ-SECBINFHSA-N -1 0 358.314 -0.228 20 0 FBADRM C[C@H](OC(=O)Cn1nnc2ccccc2c1=O)c1cn(CC(=O)[O-])nn1 ZINC000827838214 604690746 /nfs/dbraw/zinc/69/07/46/604690746.db2.gz CBYPHQIRKIHNSJ-VIFPVBQESA-N -1 0 358.314 -0.228 20 0 FBADRM CN(C(=O)[O-])C1CCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC1 ZINC000827840669 603530655 /nfs/dbraw/zinc/53/06/55/603530655.db2.gz DDOBEBHQRRLPID-UHFFFAOYSA-N -1 0 359.408 -0.701 20 0 FBADRM CN(CC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1)S(=O)(=O)c1cccnc1 ZINC000827840735 603532462 /nfs/dbraw/zinc/53/24/62/603532462.db2.gz FKISDVJFASIGFV-LLVKDONJSA-N -1 0 356.404 -0.087 20 0 FBADRM CN(CC(=O)N1CC[C@H](N(C)C(=O)[O-])C1)S(=O)(=O)c1cccnc1 ZINC000827840736 603532454 /nfs/dbraw/zinc/53/24/54/603532454.db2.gz FKISDVJFASIGFV-NSHDSACASA-N -1 0 356.404 -0.087 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)COCC(=O)NCc2cccnc2)C1 ZINC000827841086 603536736 /nfs/dbraw/zinc/53/67/36/603536736.db2.gz LTUDLTHUOADVJV-CYBMUJFWSA-N -1 0 350.375 -0.075 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)COCC(=O)NCc2cccnc2)C1 ZINC000827841087 603536893 /nfs/dbraw/zinc/53/68/93/603536893.db2.gz LTUDLTHUOADVJV-ZDUSSCGKSA-N -1 0 350.375 -0.075 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)COc2ccc(S(N)(=O)=O)cc2)C1 ZINC000827841192 603605964 /nfs/dbraw/zinc/60/59/64/603605964.db2.gz ORJLJMMCCLHDEM-JTQLQIEISA-N -1 0 357.388 -0.077 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)COc2ccc(S(N)(=O)=O)cc2)C1 ZINC000827841193 603606066 /nfs/dbraw/zinc/60/60/66/603606066.db2.gz ORJLJMMCCLHDEM-SNVBAGLBSA-N -1 0 357.388 -0.077 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)C1 ZINC000827841276 603541306 /nfs/dbraw/zinc/54/13/06/603541306.db2.gz PTKUPBXKKGKEHT-MRVPVSSYSA-N -1 0 364.362 -0.495 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)C1 ZINC000827841277 603541431 /nfs/dbraw/zinc/54/14/31/603541431.db2.gz PTKUPBXKKGKEHT-QMMMGPOBSA-N -1 0 364.362 -0.495 20 0 FBADRM CN(C(=O)[O-])C1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000827841409 604359741 /nfs/dbraw/zinc/35/97/41/604359741.db2.gz SIPGOEJISXKYSP-UHFFFAOYSA-N -1 0 362.452 -0.836 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)C1 ZINC000827841508 603510573 /nfs/dbraw/zinc/51/05/73/603510573.db2.gz VJWVZNQBQVYTOZ-LLVKDONJSA-N -1 0 356.404 -0.039 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)C1 ZINC000827841509 603510500 /nfs/dbraw/zinc/51/05/00/603510500.db2.gz VJWVZNQBQVYTOZ-NSHDSACASA-N -1 0 356.404 -0.039 20 0 FBADRM C[C@@H](OC(=O)c1cc(C(N)=O)cn1C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000827843725 601608980 /nfs/dbraw/zinc/60/89/80/601608980.db2.gz JJSQBMDKHAWJHG-SECBINFHSA-N -1 0 351.359 -0.008 20 0 FBADRM C[C@H](OC(=O)c1cc(C(N)=O)cn1C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000827843726 601608955 /nfs/dbraw/zinc/60/89/55/601608955.db2.gz JJSQBMDKHAWJHG-VIFPVBQESA-N -1 0 351.359 -0.008 20 0 FBADRM C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)c1cn(CC(=O)[O-])nn1 ZINC000827845028 604673215 /nfs/dbraw/zinc/67/32/15/604673215.db2.gz WABKIZRJKCDULJ-MRVPVSSYSA-N -1 0 371.375 -0.141 20 0 FBADRM C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)c1cn(CC(=O)[O-])nn1 ZINC000827845029 604673059 /nfs/dbraw/zinc/67/30/59/604673059.db2.gz WABKIZRJKCDULJ-QMMMGPOBSA-N -1 0 371.375 -0.141 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000827846285 603661010 /nfs/dbraw/zinc/66/10/10/603661010.db2.gz HXVQSSTUWIBIDU-CMPLNLGQSA-N -1 0 350.379 -0.081 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000827846286 603660846 /nfs/dbraw/zinc/66/08/46/603660846.db2.gz HXVQSSTUWIBIDU-JQWIXIFHSA-N -1 0 350.379 -0.081 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000827846287 603660723 /nfs/dbraw/zinc/66/07/23/603660723.db2.gz HXVQSSTUWIBIDU-PWSUYJOCSA-N -1 0 350.379 -0.081 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000827846288 603660759 /nfs/dbraw/zinc/66/07/59/603660759.db2.gz HXVQSSTUWIBIDU-ZYHUDNBSSA-N -1 0 350.379 -0.081 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000827851484 603639604 /nfs/dbraw/zinc/63/96/04/603639604.db2.gz LUMYGSITBOLQCE-LLVKDONJSA-N -1 0 364.424 -0.958 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000827851488 603639611 /nfs/dbraw/zinc/63/96/11/603639611.db2.gz LUMYGSITBOLQCE-NSHDSACASA-N -1 0 364.424 -0.958 20 0 FBADRM C[C@@H](OC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)C(=O)NCC(=O)[O-] ZINC000827852546 600683989 /nfs/dbraw/zinc/68/39/89/600683989.db2.gz ICPWSBACRWFOPO-BXKDBHETSA-N -1 0 362.338 -0.362 20 0 FBADRM C[C@H](OC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)C(=O)NCC(=O)[O-] ZINC000827852547 600683960 /nfs/dbraw/zinc/68/39/60/600683960.db2.gz ICPWSBACRWFOPO-CABZTGNLSA-N -1 0 362.338 -0.362 20 0 FBADRM C[C@H](OC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)C(=O)NCC(=O)[O-] ZINC000827852548 600684176 /nfs/dbraw/zinc/68/41/76/600684176.db2.gz ICPWSBACRWFOPO-JOYOIKCWSA-N -1 0 362.338 -0.362 20 0 FBADRM C[C@@H](OC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)C(=O)NCC(=O)[O-] ZINC000827852551 600684127 /nfs/dbraw/zinc/68/41/27/600684127.db2.gz ICPWSBACRWFOPO-SKDRFNHKSA-N -1 0 362.338 -0.362 20 0 FBADRM CN(C(=O)[O-])C1CCN(C(=O)NCCOCCS(C)(=O)=O)CC1 ZINC000827853831 603825027 /nfs/dbraw/zinc/82/50/27/603825027.db2.gz XAYJYVASAHKIIU-UHFFFAOYSA-N -1 0 351.425 -0.169 20 0 FBADRM C[C@@H](OC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)C(=O)NCC(=O)[O-] ZINC000827854271 601589303 /nfs/dbraw/zinc/58/93/03/601589303.db2.gz UMYIPLAVJMDEGL-BCTVWOGZSA-N -1 0 363.326 -0.513 20 0 FBADRM C[C@H](OC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)C(=O)NCC(=O)[O-] ZINC000827854272 601589327 /nfs/dbraw/zinc/58/93/27/601589327.db2.gz UMYIPLAVJMDEGL-PWJLMRLQSA-N -1 0 363.326 -0.513 20 0 FBADRM C[C@@H](OC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C(=O)NCC(=O)[O-] ZINC000827854273 601589213 /nfs/dbraw/zinc/58/92/13/601589213.db2.gz UMYIPLAVJMDEGL-VPTHRUTESA-N -1 0 363.326 -0.513 20 0 FBADRM C[C@H](OC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C(=O)NCC(=O)[O-] ZINC000827854274 601589248 /nfs/dbraw/zinc/58/92/48/601589248.db2.gz UMYIPLAVJMDEGL-ZKANADHPSA-N -1 0 363.326 -0.513 20 0 FBADRM C[C@@H](OC(=O)c1ccc(CNS(C)(=O)=O)o1)c1cn(CC(=O)[O-])nn1 ZINC000827854463 604680070 /nfs/dbraw/zinc/68/00/70/604680070.db2.gz XDVNELNOROFPCR-MRVPVSSYSA-N -1 0 372.359 -0.077 20 0 FBADRM C[C@H](OC(=O)c1ccc(CNS(C)(=O)=O)o1)c1cn(CC(=O)[O-])nn1 ZINC000827854464 604679780 /nfs/dbraw/zinc/67/97/80/604679780.db2.gz XDVNELNOROFPCR-QMMMGPOBSA-N -1 0 372.359 -0.077 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC000827870479 603514783 /nfs/dbraw/zinc/51/47/83/603514783.db2.gz BEGYMURBSNUIKN-LLVKDONJSA-N -1 0 369.399 -0.230 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC000827870480 603515080 /nfs/dbraw/zinc/51/50/80/603515080.db2.gz BEGYMURBSNUIKN-NSHDSACASA-N -1 0 369.399 -0.230 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 ZINC000827872138 603504366 /nfs/dbraw/zinc/50/43/66/603504366.db2.gz WNLYPGJTOMSQRZ-SECBINFHSA-N -1 0 361.358 -0.544 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 ZINC000827872139 603504382 /nfs/dbraw/zinc/50/43/82/603504382.db2.gz WNLYPGJTOMSQRZ-VIFPVBQESA-N -1 0 361.358 -0.544 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)C1 ZINC000827872185 603555473 /nfs/dbraw/zinc/55/54/73/603555473.db2.gz XSHHNNYESATODP-SECBINFHSA-N -1 0 363.374 -0.600 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)C1 ZINC000827872186 603555494 /nfs/dbraw/zinc/55/54/94/603555494.db2.gz XSHHNNYESATODP-VIFPVBQESA-N -1 0 363.374 -0.600 20 0 FBADRM C[C@H](OC(=O)c1sccc1NS(C)(=O)=O)C(=O)NCC(=O)[O-] ZINC000827873240 601111925 /nfs/dbraw/zinc/11/19/25/601111925.db2.gz GCGQAORYAACTRP-LURJTMIESA-N -1 0 350.374 -0.134 20 0 FBADRM C[C@@H](OC(=O)c1sccc1NS(C)(=O)=O)C(=O)NCC(=O)[O-] ZINC000827873241 601111895 /nfs/dbraw/zinc/11/18/95/601111895.db2.gz GCGQAORYAACTRP-ZCFIWIBFSA-N -1 0 350.374 -0.134 20 0 FBADRM C[C@@H](OC(=O)c1sccc1S(=O)(=O)N(C)C)C(=O)NCC(=O)[O-] ZINC000827873370 600666568 /nfs/dbraw/zinc/66/65/68/600666568.db2.gz GXUCJZOCCIWYAD-SSDOTTSWSA-N -1 0 364.401 -0.256 20 0 FBADRM C[C@H](OC(=O)c1sccc1S(=O)(=O)N(C)C)C(=O)NCC(=O)[O-] ZINC000827873371 600666438 /nfs/dbraw/zinc/66/64/38/600666438.db2.gz GXUCJZOCCIWYAD-ZETCQYMHSA-N -1 0 364.401 -0.256 20 0 FBADRM C[C@H](OC(=O)c1cnn(CC(=O)NC2CCCC2)c1)C(=O)NCC(=O)[O-] ZINC000827873645 604608287 /nfs/dbraw/zinc/60/82/87/604608287.db2.gz LITDCTBFZXTFJW-JTQLQIEISA-N -1 0 366.374 -0.312 20 0 FBADRM C[C@@H](OC(=O)c1cnn(CC(=O)NC2CCCC2)c1)C(=O)NCC(=O)[O-] ZINC000827873646 604608268 /nfs/dbraw/zinc/60/82/68/604608268.db2.gz LITDCTBFZXTFJW-SNVBAGLBSA-N -1 0 366.374 -0.312 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000827876488 603517259 /nfs/dbraw/zinc/51/72/59/603517259.db2.gz XKIBLCTXKLATCP-JTQLQIEISA-N -1 0 361.358 -0.544 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000827876489 603517365 /nfs/dbraw/zinc/51/73/65/603517365.db2.gz XKIBLCTXKLATCP-SNVBAGLBSA-N -1 0 361.358 -0.544 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000827881346 603838886 /nfs/dbraw/zinc/83/88/86/603838886.db2.gz BVZDPLHTNGDITN-CYBMUJFWSA-N -1 0 364.402 -0.149 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000827881351 603839135 /nfs/dbraw/zinc/83/91/35/603839135.db2.gz BVZDPLHTNGDITN-ZDUSSCGKSA-N -1 0 364.402 -0.149 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000827881960 603849664 /nfs/dbraw/zinc/84/96/64/603849664.db2.gz JHGSAIQKVKKVOU-SECBINFHSA-N -1 0 351.363 -0.267 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000827881968 603849804 /nfs/dbraw/zinc/84/98/04/603849804.db2.gz JHGSAIQKVKKVOU-VIFPVBQESA-N -1 0 351.363 -0.267 20 0 FBADRM CN(CCCNC(=O)CN1CC[C@@H](N(C)C(=O)[O-])C1)S(C)(=O)=O ZINC000827882642 603816873 /nfs/dbraw/zinc/81/68/73/603816873.db2.gz QJXGMYRNXXQRJQ-LLVKDONJSA-N -1 0 350.441 -0.932 20 0 FBADRM CN(CCCNC(=O)CN1CC[C@H](N(C)C(=O)[O-])C1)S(C)(=O)=O ZINC000827882643 603816791 /nfs/dbraw/zinc/81/67/91/603816791.db2.gz QJXGMYRNXXQRJQ-NSHDSACASA-N -1 0 350.441 -0.932 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000827882867 603849214 /nfs/dbraw/zinc/84/92/14/603849214.db2.gz SWWRQAQTZCIDPC-LLVKDONJSA-N -1 0 356.404 -0.043 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000827882868 603849343 /nfs/dbraw/zinc/84/93/43/603849343.db2.gz SWWRQAQTZCIDPC-NSHDSACASA-N -1 0 356.404 -0.043 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000827882885 603843716 /nfs/dbraw/zinc/84/37/16/603843716.db2.gz TZLZSJGPFYAHSK-LLVKDONJSA-N -1 0 356.404 -0.043 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000827882886 603843258 /nfs/dbraw/zinc/84/32/58/603843258.db2.gz TZLZSJGPFYAHSK-NSHDSACASA-N -1 0 356.404 -0.043 20 0 FBADRM C[C@@H](Oc1ccc(OS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1)C(N)=O ZINC000827890030 661122577 /nfs/dbraw/zinc/12/25/77/661122577.db2.gz KOHASOUDOWLFTN-SECBINFHSA-N -1 0 369.355 -0.012 20 0 FBADRM C[C@H](Oc1ccc(OS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1)C(N)=O ZINC000827890031 661122654 /nfs/dbraw/zinc/12/26/54/661122654.db2.gz KOHASOUDOWLFTN-VIFPVBQESA-N -1 0 369.355 -0.012 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000827894327 604233157 /nfs/dbraw/zinc/23/31/57/604233157.db2.gz IEIOCHNKLRDACF-SECBINFHSA-N -1 0 363.417 -0.293 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000827894329 604233324 /nfs/dbraw/zinc/23/33/24/604233324.db2.gz IEIOCHNKLRDACF-VIFPVBQESA-N -1 0 363.417 -0.293 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000827894595 604233509 /nfs/dbraw/zinc/23/35/09/604233509.db2.gz JXVQCODENBOHPH-MRVPVSSYSA-N -1 0 368.371 -0.411 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000827894597 604233345 /nfs/dbraw/zinc/23/33/45/604233345.db2.gz JXVQCODENBOHPH-QMMMGPOBSA-N -1 0 368.371 -0.411 20 0 FBADRM CN(C(=O)[O-])[C@@H]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 ZINC000827895665 604234860 /nfs/dbraw/zinc/23/48/60/604234860.db2.gz PKJUTCXHDWYALZ-SECBINFHSA-N -1 0 363.417 -0.293 20 0 FBADRM CN(C(=O)[O-])[C@H]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 ZINC000827895666 604234864 /nfs/dbraw/zinc/23/48/64/604234864.db2.gz PKJUTCXHDWYALZ-VIFPVBQESA-N -1 0 363.417 -0.293 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCOC[C@@H]1CCO ZINC000827919770 661122900 /nfs/dbraw/zinc/12/29/00/661122900.db2.gz OCZSQDNJFKAFQP-JTQLQIEISA-N -1 0 364.370 -0.147 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCOC[C@H]1CCO ZINC000827919771 661122992 /nfs/dbraw/zinc/12/29/92/661122992.db2.gz OCZSQDNJFKAFQP-SNVBAGLBSA-N -1 0 364.370 -0.147 20 0 FBADRM C[C@H](Sc1nnc(-c2n[nH]c3c2CCC3)n1N)C(=O)NCC(=O)[O-] ZINC000827921026 604754540 /nfs/dbraw/zinc/75/45/40/604754540.db2.gz AVSREZPWZFEKFA-LURJTMIESA-N -1 0 351.392 -0.448 20 0 FBADRM C[C@@H](Sc1nnc(-c2n[nH]c3c2CCC3)n1N)C(=O)NCC(=O)[O-] ZINC000827921027 604754314 /nfs/dbraw/zinc/75/43/14/604754314.db2.gz AVSREZPWZFEKFA-ZCFIWIBFSA-N -1 0 351.392 -0.448 20 0 FBADRM CN(C(=O)[O-])c1ccc(OS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000827928443 603145559 /nfs/dbraw/zinc/14/55/59/603145559.db2.gz ZLCVHWGJXYGFQP-UHFFFAOYSA-N -1 0 369.355 -0.034 20 0 FBADRM CN(C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827933344 603722921 /nfs/dbraw/zinc/72/29/21/603722921.db2.gz XEHIVIDPKSCHJX-SECBINFHSA-N -1 0 363.374 -0.600 20 0 FBADRM CN(C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000827933346 603722873 /nfs/dbraw/zinc/72/28/73/603722873.db2.gz XEHIVIDPKSCHJX-VIFPVBQESA-N -1 0 363.374 -0.600 20 0 FBADRM CN(C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827938043 603700449 /nfs/dbraw/zinc/70/04/49/603700449.db2.gz DTJGWWGHWXQMAI-LLVKDONJSA-N -1 0 369.399 -0.230 20 0 FBADRM CN(C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827938044 603700404 /nfs/dbraw/zinc/70/04/04/603700404.db2.gz DTJGWWGHWXQMAI-NSHDSACASA-N -1 0 369.399 -0.230 20 0 FBADRM CN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827938878 603702294 /nfs/dbraw/zinc/70/22/94/603702294.db2.gz SDONHSRCXDBXDZ-SECBINFHSA-N -1 0 361.358 -0.544 20 0 FBADRM CN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827938879 603702323 /nfs/dbraw/zinc/70/23/23/603702323.db2.gz SDONHSRCXDBXDZ-VIFPVBQESA-N -1 0 361.358 -0.544 20 0 FBADRM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000827939911 601199447 /nfs/dbraw/zinc/19/94/47/601199447.db2.gz ALDPMKSGCJACDO-SECBINFHSA-N -1 0 367.387 -0.157 20 0 FBADRM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000827939912 601199544 /nfs/dbraw/zinc/19/95/44/601199544.db2.gz ALDPMKSGCJACDO-VIFPVBQESA-N -1 0 367.387 -0.157 20 0 FBADRM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000827941421 601195654 /nfs/dbraw/zinc/19/56/54/601195654.db2.gz LEBWHSGWHBWMFC-SECBINFHSA-N -1 0 367.387 -0.157 20 0 FBADRM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000827941427 601195524 /nfs/dbraw/zinc/19/55/24/601195524.db2.gz LEBWHSGWHBWMFC-VIFPVBQESA-N -1 0 367.387 -0.157 20 0 FBADRM CN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@H]1CCN(C(=O)[O-])C1 ZINC000827945289 603689191 /nfs/dbraw/zinc/68/91/91/603689191.db2.gz MPOFNLKRQPXACK-JTQLQIEISA-N -1 0 361.358 -0.544 20 0 FBADRM CN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827945290 603689199 /nfs/dbraw/zinc/68/91/99/603689199.db2.gz MPOFNLKRQPXACK-SNVBAGLBSA-N -1 0 361.358 -0.544 20 0 FBADRM CN(C(=S)NCCNS(C)(=O)=O)C1CCC(NC(=O)[O-])CC1 ZINC000827948253 603828472 /nfs/dbraw/zinc/82/84/72/603828472.db2.gz FWJOAAHYKOKVSK-UHFFFAOYSA-N -1 0 352.482 -0.079 20 0 FBADRM CN(C)C(=O)CCN1CCN(C(=O)NC2CCN(C(=O)[O-])CC2)CC1 ZINC000827952785 604787615 /nfs/dbraw/zinc/78/76/15/604787615.db2.gz AYLKQKHHTAGWDY-UHFFFAOYSA-N -1 0 355.439 -0.066 20 0 FBADRM CN(C)C(=O)C1CCN(CN2C[C@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000827952791 603594906 /nfs/dbraw/zinc/59/49/06/603594906.db2.gz BFAFDVKXMVOKQT-CYBMUJFWSA-N -1 0 353.423 -0.156 20 0 FBADRM CN(C)C(=O)C1CCN(CN2C[C@@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000827952792 603595069 /nfs/dbraw/zinc/59/50/69/603595069.db2.gz BFAFDVKXMVOKQT-ZDUSSCGKSA-N -1 0 353.423 -0.156 20 0 FBADRM CN(C)C(=O)CCN1CCN(C(=O)N[C@H](CNC(=O)[O-])C2CC2)CC1 ZINC000827952799 604813246 /nfs/dbraw/zinc/81/32/46/604813246.db2.gz BIWPGGPGOSFLOY-CYBMUJFWSA-N -1 0 355.439 -0.162 20 0 FBADRM CN(C)C(=O)CCN1CCN(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)CC1 ZINC000827952800 604813176 /nfs/dbraw/zinc/81/31/76/604813176.db2.gz BIWPGGPGOSFLOY-ZDUSSCGKSA-N -1 0 355.439 -0.162 20 0 FBADRM CN(C)C(=O)CCN1CCN(C(=O)NCCN(C(=O)[O-])C2CC2)CC1 ZINC000827953115 604803931 /nfs/dbraw/zinc/80/39/31/604803931.db2.gz DUBTVPVEKYZFRN-UHFFFAOYSA-N -1 0 355.439 -0.066 20 0 FBADRM CN(C)C(=O)CCN1CCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000827953288 604762652 /nfs/dbraw/zinc/76/26/52/604762652.db2.gz GOWSLBQNGHSAHE-AWEZNQCLSA-N -1 0 370.450 -0.232 20 0 FBADRM CN(C)C(=O)CCN1CCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000827953290 604762537 /nfs/dbraw/zinc/76/25/37/604762537.db2.gz GOWSLBQNGHSAHE-CQSZACIVSA-N -1 0 370.450 -0.232 20 0 FBADRM CN(C)C(=O)CCN1CCN(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000827953363 604809339 /nfs/dbraw/zinc/80/93/39/604809339.db2.gz HLWBEGCXWGXIPG-CYBMUJFWSA-N -1 0 355.439 -0.066 20 0 FBADRM CN(C)C(=O)CCN1CCN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000827953364 604809241 /nfs/dbraw/zinc/80/92/41/604809241.db2.gz HLWBEGCXWGXIPG-ZDUSSCGKSA-N -1 0 355.439 -0.066 20 0 FBADRM CN(C)C(=O)CCCC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000827953573 603708941 /nfs/dbraw/zinc/70/89/41/603708941.db2.gz JVIQJMSSQSESOL-GFCCVEGCSA-N -1 0 356.423 -0.133 20 0 FBADRM CN(C)C(=O)CCCC(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000827953574 603708510 /nfs/dbraw/zinc/70/85/10/603708510.db2.gz JVIQJMSSQSESOL-LBPRGKRZSA-N -1 0 356.423 -0.133 20 0 FBADRM CN(C)C(=O)CCN1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827953758 604303041 /nfs/dbraw/zinc/30/30/41/604303041.db2.gz MGQLVWNUDSGWGQ-CYBMUJFWSA-N -1 0 356.423 -0.622 20 0 FBADRM CN(C)C(=O)CCN1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827953759 604303059 /nfs/dbraw/zinc/30/30/59/604303059.db2.gz MGQLVWNUDSGWGQ-ZDUSSCGKSA-N -1 0 356.423 -0.622 20 0 FBADRM CN(C)C(=O)CCN1CCN(C(=O)NC[C@H]2CCCN2C(=O)[O-])CC1 ZINC000827954724 604807741 /nfs/dbraw/zinc/80/77/41/604807741.db2.gz YHCLCDUUHAEVQE-CYBMUJFWSA-N -1 0 355.439 -0.066 20 0 FBADRM CN(C)C(=O)CCN1CCN(C(=O)NC[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000827954725 604807899 /nfs/dbraw/zinc/80/78/99/604807899.db2.gz YHCLCDUUHAEVQE-ZDUSSCGKSA-N -1 0 355.439 -0.066 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CC1 ZINC000827959672 603635151 /nfs/dbraw/zinc/63/51/51/603635151.db2.gz ASOTZWCHFFGVJP-UHFFFAOYSA-N -1 0 369.466 -0.707 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])CC1 ZINC000827959726 605229507 /nfs/dbraw/zinc/22/95/07/605229507.db2.gz BXXCALBMODGKTG-CHWSQXEVSA-N -1 0 355.439 -0.162 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])CC1 ZINC000827959727 605229578 /nfs/dbraw/zinc/22/95/78/605229578.db2.gz BXXCALBMODGKTG-OLZOCXBDSA-N -1 0 355.439 -0.162 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])CC1 ZINC000827959729 605229849 /nfs/dbraw/zinc/22/98/49/605229849.db2.gz BXXCALBMODGKTG-QWHCGFSZSA-N -1 0 355.439 -0.162 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])CC1 ZINC000827959731 605229623 /nfs/dbraw/zinc/22/96/23/605229623.db2.gz BXXCALBMODGKTG-STQMWFEESA-N -1 0 355.439 -0.162 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)NC[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000827959741 605228570 /nfs/dbraw/zinc/22/85/70/605228570.db2.gz CAAJENDKDIMSTC-CYBMUJFWSA-N -1 0 355.439 -0.208 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000827959742 605228265 /nfs/dbraw/zinc/22/82/65/605228265.db2.gz CAAJENDKDIMSTC-ZDUSSCGKSA-N -1 0 355.439 -0.208 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])CC1 ZINC000827960030 605596220 /nfs/dbraw/zinc/59/62/20/605596220.db2.gz DVXPXJUHPBPYTN-GFCCVEGCSA-N -1 0 358.464 -0.296 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)C[C@H]2CSCCN2C(=O)[O-])CC1 ZINC000827960031 605596322 /nfs/dbraw/zinc/59/63/22/605596322.db2.gz DVXPXJUHPBPYTN-LBPRGKRZSA-N -1 0 358.464 -0.296 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000827960173 605242509 /nfs/dbraw/zinc/24/25/09/605242509.db2.gz GITBHYZOFRXBMG-CYBMUJFWSA-N -1 0 356.423 -0.622 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000827960174 605242553 /nfs/dbraw/zinc/24/25/53/605242553.db2.gz GITBHYZOFRXBMG-ZDUSSCGKSA-N -1 0 356.423 -0.622 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)NCCCN(C(=O)[O-])C2CC2)CC1 ZINC000827960188 605226471 /nfs/dbraw/zinc/22/64/71/605226471.db2.gz GVWRPYOFSGFCMU-UHFFFAOYSA-N -1 0 355.439 -0.066 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)CN2CCN(C(=O)[O-])CC2(C)C)CC1 ZINC000827960190 603916483 /nfs/dbraw/zinc/91/64/83/603916483.db2.gz GXRJAEFERZPIPZ-UHFFFAOYSA-N -1 0 369.466 -0.707 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000827960435 605302749 /nfs/dbraw/zinc/30/27/49/605302749.db2.gz IPDMJBDDTHLZFJ-AWEZNQCLSA-N -1 0 370.450 -0.186 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000827960437 605302739 /nfs/dbraw/zinc/30/27/39/605302739.db2.gz IPDMJBDDTHLZFJ-CQSZACIVSA-N -1 0 370.450 -0.186 20 0 FBADRM CN(C)C(=O)CN(C(=O)CN1CCN(C(=O)[O-])CC1=O)c1ccccc1 ZINC000827960587 603526815 /nfs/dbraw/zinc/52/68/15/603526815.db2.gz LJZUSMFGUQPEJJ-UHFFFAOYSA-N -1 0 362.386 -0.070 20 0 FBADRM CN(C)C(=O)COC1CN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)C1 ZINC000827960943 603821648 /nfs/dbraw/zinc/82/16/48/603821648.db2.gz NEADJFMNCPNMTE-UHFFFAOYSA-N -1 0 356.423 -0.624 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)N2CCC[C@@H]2CNC(=O)[O-])CC1 ZINC000827961044 603808876 /nfs/dbraw/zinc/80/88/76/603808876.db2.gz PADGXBNRKVQSLN-CYBMUJFWSA-N -1 0 355.439 -0.019 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)N2CCC[C@H]2CNC(=O)[O-])CC1 ZINC000827961046 603808551 /nfs/dbraw/zinc/80/85/51/603808551.db2.gz PADGXBNRKVQSLN-ZDUSSCGKSA-N -1 0 355.439 -0.019 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)NC[C@H]2CCCCN2C(=O)[O-])CC1 ZINC000827961058 605226430 /nfs/dbraw/zinc/22/64/30/605226430.db2.gz PEJUQCCRKIQOCT-CYBMUJFWSA-N -1 0 355.439 -0.066 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)NC[C@@H]2CCCCN2C(=O)[O-])CC1 ZINC000827961060 605226057 /nfs/dbraw/zinc/22/60/57/605226057.db2.gz PEJUQCCRKIQOCT-ZDUSSCGKSA-N -1 0 355.439 -0.066 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)COC(=O)C(C)(C)CNC(=O)[O-])CC1 ZINC000827961136 603747718 /nfs/dbraw/zinc/74/77/18/603747718.db2.gz QTWXPNUSBVCVPU-UHFFFAOYSA-N -1 0 372.422 -0.944 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)N[C@@H]2CCCCN(C(=O)[O-])C2)CC1 ZINC000827961218 605229473 /nfs/dbraw/zinc/22/94/73/605229473.db2.gz RLBHKIABGGPZBO-CYBMUJFWSA-N -1 0 355.439 -0.066 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)N[C@H]2CCCCN(C(=O)[O-])C2)CC1 ZINC000827961219 605229470 /nfs/dbraw/zinc/22/94/70/605229470.db2.gz RLBHKIABGGPZBO-ZDUSSCGKSA-N -1 0 355.439 -0.066 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)CC1 ZINC000827961269 603653823 /nfs/dbraw/zinc/65/38/23/603653823.db2.gz STQXEQILNUBEQY-CYBMUJFWSA-N -1 0 355.439 -0.067 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)N2CC[C@H](N(C)C(=O)[O-])C2)CC1 ZINC000827961270 603653698 /nfs/dbraw/zinc/65/36/98/603653698.db2.gz STQXEQILNUBEQY-ZDUSSCGKSA-N -1 0 355.439 -0.067 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)NCC2CCN(C(=O)[O-])CC2)CC1 ZINC000827961292 605228552 /nfs/dbraw/zinc/22/85/52/605228552.db2.gz TZTSJAVPOGZVER-UHFFFAOYSA-N -1 0 355.439 -0.208 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)NC2CCC(NC(=O)[O-])CC2)CC1 ZINC000827961441 605229782 /nfs/dbraw/zinc/22/97/82/605229782.db2.gz VQDKUPJPBQARIQ-UHFFFAOYSA-N -1 0 355.439 -0.019 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827961631 604871500 /nfs/dbraw/zinc/87/15/00/604871500.db2.gz YQVYMKOIWQHDLN-CYBMUJFWSA-N -1 0 356.423 -0.576 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827961633 604871842 /nfs/dbraw/zinc/87/18/42/604871842.db2.gz YQVYMKOIWQHDLN-ZDUSSCGKSA-N -1 0 356.423 -0.576 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000827961666 605229486 /nfs/dbraw/zinc/22/94/86/605229486.db2.gz ZYVJOEKIRMDHKF-CYBMUJFWSA-N -1 0 355.439 -0.208 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)NCC[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000827961667 605229858 /nfs/dbraw/zinc/22/98/58/605229858.db2.gz ZYVJOEKIRMDHKF-ZDUSSCGKSA-N -1 0 355.439 -0.208 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCCN(C(=O)[O-])C2CC2)n1 ZINC000827965417 604143178 /nfs/dbraw/zinc/14/31/78/604143178.db2.gz ABOOELTUHUPRIV-UHFFFAOYSA-N -1 0 366.378 -0.832 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CC[C@H](N(C)C(=O)[O-])C2)n1 ZINC000827965432 604149422 /nfs/dbraw/zinc/14/94/22/604149422.db2.gz AVMRTPSDZNCDCP-JTQLQIEISA-N -1 0 366.378 -0.880 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)n1 ZINC000827965433 604149818 /nfs/dbraw/zinc/14/98/18/604149818.db2.gz AVMRTPSDZNCDCP-SNVBAGLBSA-N -1 0 366.378 -0.880 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])nn1 ZINC000827965448 604027107 /nfs/dbraw/zinc/02/71/07/604027107.db2.gz BCRZYNQQVJNGFP-MNOVXSKESA-N -1 0 350.379 -0.277 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](CNC(=O)[O-])C2)cn1 ZINC000827965460 603773751 /nfs/dbraw/zinc/77/37/51/603773751.db2.gz BFWPNHJHNYBSSU-JTQLQIEISA-N -1 0 366.378 -0.974 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](CNC(=O)[O-])C2)cn1 ZINC000827965463 603773722 /nfs/dbraw/zinc/77/37/22/603773722.db2.gz BFWPNHJHNYBSSU-SNVBAGLBSA-N -1 0 366.378 -0.974 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)C[C@@H]2CSCCN2C(=O)[O-])n1 ZINC000827965509 605701285 /nfs/dbraw/zinc/70/12/85/605701285.db2.gz BYBLENJIXHVLAL-SECBINFHSA-N -1 0 356.408 -0.210 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)C[C@H]2CSCCN2C(=O)[O-])n1 ZINC000827965512 605701372 /nfs/dbraw/zinc/70/13/72/605701372.db2.gz BYBLENJIXHVLAL-VIFPVBQESA-N -1 0 356.408 -0.210 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@H](CNC(=O)[O-])C2CC2)cn1 ZINC000827965513 603776121 /nfs/dbraw/zinc/77/61/21/603776121.db2.gz BZPWPYZORVDGQL-LLVKDONJSA-N -1 0 366.378 -0.928 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@@H](CNC(=O)[O-])C2CC2)cn1 ZINC000827965516 603775979 /nfs/dbraw/zinc/77/59/79/603775979.db2.gz BZPWPYZORVDGQL-NSHDSACASA-N -1 0 366.378 -0.928 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)n1 ZINC000827965517 604145762 /nfs/dbraw/zinc/14/57/62/604145762.db2.gz BZWAUXFOHNXHNU-JTQLQIEISA-N -1 0 366.378 -0.832 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)n1 ZINC000827965520 604145725 /nfs/dbraw/zinc/14/57/25/604145725.db2.gz BZWAUXFOHNXHNU-SNVBAGLBSA-N -1 0 366.378 -0.832 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCCN(C(=O)[O-])CC2)cn1 ZINC000827965552 603773731 /nfs/dbraw/zinc/77/37/31/603773731.db2.gz CPLFQXCUEVARJW-UHFFFAOYSA-N -1 0 366.378 -0.878 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2CCCN2C(=O)[O-])cn1 ZINC000827965623 603775919 /nfs/dbraw/zinc/77/59/19/603775919.db2.gz DGUXILAHKFHCGJ-LLVKDONJSA-N -1 0 366.378 -0.832 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2CCCN2C(=O)[O-])cn1 ZINC000827965624 603775972 /nfs/dbraw/zinc/77/59/72/603775972.db2.gz DGUXILAHKFHCGJ-NSHDSACASA-N -1 0 366.378 -0.832 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2C(=O)[O-])n1 ZINC000827965630 604145732 /nfs/dbraw/zinc/14/57/32/604145732.db2.gz DKPJCTLNPAEFPC-JTQLQIEISA-N -1 0 366.378 -0.832 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC[C@H]2CCCN2C(=O)[O-])n1 ZINC000827965631 604145901 /nfs/dbraw/zinc/14/59/01/604145901.db2.gz DKPJCTLNPAEFPC-SNVBAGLBSA-N -1 0 366.378 -0.832 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)NCCN(C(=O)[O-])C2CC2)cn1 ZINC000827965634 603773845 /nfs/dbraw/zinc/77/38/45/603773845.db2.gz DTLKCIQWSYSLQS-UHFFFAOYSA-N -1 0 366.378 -0.832 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)N(C)C2CCN(C(=O)[O-])CC2)n1 ZINC000827965637 603554321 /nfs/dbraw/zinc/55/43/21/603554321.db2.gz DWPPNOBSMKBMPH-UHFFFAOYSA-N -1 0 353.383 -0.028 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CC[C@@H](CNC(=O)[O-])C2)n1 ZINC000827965655 604143211 /nfs/dbraw/zinc/14/32/11/604143211.db2.gz FBOLNCFDKCDBJE-JTQLQIEISA-N -1 0 366.378 -0.974 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CC[C@H](CNC(=O)[O-])C2)n1 ZINC000827965656 604143223 /nfs/dbraw/zinc/14/32/23/604143223.db2.gz FBOLNCFDKCDBJE-SNVBAGLBSA-N -1 0 366.378 -0.974 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]2CNC(=O)[O-])cn1 ZINC000827965683 603777563 /nfs/dbraw/zinc/77/75/63/603777563.db2.gz FMVRRXPXCPQMDE-LLVKDONJSA-N -1 0 366.378 -0.832 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]2CNC(=O)[O-])cn1 ZINC000827965685 603777580 /nfs/dbraw/zinc/77/75/80/603777580.db2.gz FMVRRXPXCPQMDE-NSHDSACASA-N -1 0 366.378 -0.832 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)N2CCC[C@H](N(C)C(=O)[O-])C2)n1 ZINC000827965695 603554418 /nfs/dbraw/zinc/55/44/18/603554418.db2.gz FQMHISALNZOJLT-JTQLQIEISA-N -1 0 353.383 -0.028 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)N2CCC[C@@H](N(C)C(=O)[O-])C2)n1 ZINC000827965696 603554467 /nfs/dbraw/zinc/55/44/67/603554467.db2.gz FQMHISALNZOJLT-SNVBAGLBSA-N -1 0 353.383 -0.028 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)N(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)nn1 ZINC000827965702 605799535 /nfs/dbraw/zinc/79/95/35/605799535.db2.gz FRHWTGUMHMUTIV-LLVKDONJSA-N -1 0 350.379 -0.277 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)N(C2CC2)[C@H]2CCN(C(=O)[O-])C2)nn1 ZINC000827965704 605799669 /nfs/dbraw/zinc/79/96/69/605799669.db2.gz FRHWTGUMHMUTIV-NSHDSACASA-N -1 0 350.379 -0.277 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)n1 ZINC000827965752 603554503 /nfs/dbraw/zinc/55/45/03/603554503.db2.gz GBRZHJPRTZNAJX-JTQLQIEISA-N -1 0 353.383 -0.170 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)n1 ZINC000827965755 603554547 /nfs/dbraw/zinc/55/45/47/603554547.db2.gz GBRZHJPRTZNAJX-SNVBAGLBSA-N -1 0 353.383 -0.170 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC[C@H](NC(=O)[O-])C2)n1 ZINC000827965901 604143504 /nfs/dbraw/zinc/14/35/04/604143504.db2.gz GLUOOXDHPPVSAO-JTQLQIEISA-N -1 0 366.378 -0.832 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC[C@@H](NC(=O)[O-])C2)n1 ZINC000827965903 604143526 /nfs/dbraw/zinc/14/35/26/604143526.db2.gz GLUOOXDHPPVSAO-SNVBAGLBSA-N -1 0 366.378 -0.832 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)NC2CCN(C(=O)[O-])CC2)cn1 ZINC000827966173 603777557 /nfs/dbraw/zinc/77/75/57/603777557.db2.gz IELIYUWXMAVYIX-UHFFFAOYSA-N -1 0 366.378 -0.832 20 0 FBADRM CN(C)C(=O)COc1cccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000827966199 603667331 /nfs/dbraw/zinc/66/73/31/603667331.db2.gz INXGYSRWLGOBRY-GXTWGEPZSA-N -1 0 365.386 -0.117 20 0 FBADRM CN(C)C(=O)COc1cccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000827966201 603667001 /nfs/dbraw/zinc/66/70/01/603667001.db2.gz INXGYSRWLGOBRY-JSGCOSHPSA-N -1 0 365.386 -0.117 20 0 FBADRM CN(C)C(=O)COc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000827966204 603666867 /nfs/dbraw/zinc/66/68/67/603666867.db2.gz INXGYSRWLGOBRY-OCCSQVGLSA-N -1 0 365.386 -0.117 20 0 FBADRM CN(C)C(=O)COc1cccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000827966207 603668125 /nfs/dbraw/zinc/66/81/25/603668125.db2.gz INXGYSRWLGOBRY-TZMCWYRMSA-N -1 0 365.386 -0.117 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCCCN(C)C(=O)[O-])n1 ZINC000827966214 604145965 /nfs/dbraw/zinc/14/59/65/604145965.db2.gz IRTSXFUFVYYZKJ-UHFFFAOYSA-N -1 0 354.367 -0.974 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)n1 ZINC000827966219 603554331 /nfs/dbraw/zinc/55/43/31/603554331.db2.gz IUPIYDFGLFJTAU-JTQLQIEISA-N -1 0 353.383 -0.122 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)N2CCC[C@H](CNC(=O)[O-])C2)n1 ZINC000827966220 603554347 /nfs/dbraw/zinc/55/43/47/603554347.db2.gz IUPIYDFGLFJTAU-SNVBAGLBSA-N -1 0 353.383 -0.122 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCC(C)(C)NC(=O)[O-])n1 ZINC000827966244 604147288 /nfs/dbraw/zinc/14/72/88/604147288.db2.gz JFQSBQWZVTWLPO-UHFFFAOYSA-N -1 0 354.367 -0.928 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000827966430 603776070 /nfs/dbraw/zinc/77/60/70/603776070.db2.gz KSLKBIYTCWNWMU-JTQLQIEISA-N -1 0 366.378 -0.832 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000827966432 603776003 /nfs/dbraw/zinc/77/60/03/603776003.db2.gz KSLKBIYTCWNWMU-SNVBAGLBSA-N -1 0 366.378 -0.832 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC(NC(=O)[O-])CC2)n1 ZINC000827966479 604143478 /nfs/dbraw/zinc/14/34/78/604143478.db2.gz LKPYRHXPBOKTDQ-UHFFFAOYSA-N -1 0 366.378 -0.832 20 0 FBADRM CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)OCCNC(=O)[O-])cc1 ZINC000827966544 604249936 /nfs/dbraw/zinc/24/99/36/604249936.db2.gz MYZWAHSBFASGNM-UHFFFAOYSA-N -1 0 358.372 -0.027 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N(C)CCCNC(=O)[O-])cn1 ZINC000827966744 603775887 /nfs/dbraw/zinc/77/58/87/603775887.db2.gz OJNJSYHRWIWSFF-UHFFFAOYSA-N -1 0 354.367 -0.974 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)NCCN2CCN(C(=O)[O-])CC2)cn1 ZINC000827966764 604250007 /nfs/dbraw/zinc/25/00/07/604250007.db2.gz OMLJSWBIOVPEMN-UHFFFAOYSA-N -1 0 367.410 -0.612 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)N2CCC(N(C)C(=O)[O-])CC2)n1 ZINC000827966905 603554455 /nfs/dbraw/zinc/55/44/55/603554455.db2.gz PQVOIJNQOMEONY-UHFFFAOYSA-N -1 0 353.383 -0.028 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC2CCN(C(=O)[O-])CC2)n1 ZINC000827966907 604147232 /nfs/dbraw/zinc/14/72/32/604147232.db2.gz PRAZZGSROVVEHF-UHFFFAOYSA-N -1 0 366.378 -0.832 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCCN(C(=O)[O-])CC2)n1 ZINC000827967177 604143180 /nfs/dbraw/zinc/14/31/80/604143180.db2.gz REKYTXDSJMWSAH-UHFFFAOYSA-N -1 0 366.378 -0.878 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)cn1 ZINC000827967244 603777295 /nfs/dbraw/zinc/77/72/95/603777295.db2.gz SIYQOGQMFYGRMH-LLVKDONJSA-N -1 0 366.378 -0.880 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](N(C)C(=O)[O-])C2)cn1 ZINC000827967245 603777387 /nfs/dbraw/zinc/77/73/87/603777387.db2.gz SIYQOGQMFYGRMH-NSHDSACASA-N -1 0 366.378 -0.880 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)N2CCC(CNC(=O)[O-])CC2)n1 ZINC000827967263 603554545 /nfs/dbraw/zinc/55/45/45/603554545.db2.gz TVDFOQXGVOIIDO-UHFFFAOYSA-N -1 0 353.383 -0.122 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@@H](CNC(=O)[O-])C2CC2)n1 ZINC000827967277 604147426 /nfs/dbraw/zinc/14/74/26/604147426.db2.gz UEBPJXVXIGDWHR-JTQLQIEISA-N -1 0 366.378 -0.928 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@H](CNC(=O)[O-])C2CC2)n1 ZINC000827967278 604147177 /nfs/dbraw/zinc/14/71/77/604147177.db2.gz UEBPJXVXIGDWHR-SNVBAGLBSA-N -1 0 366.378 -0.928 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)NCC(C)(C)NC(=O)[O-])cn1 ZINC000827967286 603777394 /nfs/dbraw/zinc/77/73/94/603777394.db2.gz UHXBSMVAUPJEKX-UHFFFAOYSA-N -1 0 354.367 -0.928 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H](NC(=O)[O-])C2)cn1 ZINC000827967295 603774442 /nfs/dbraw/zinc/77/44/42/603774442.db2.gz UQUMWJTWECESQP-JTQLQIEISA-N -1 0 366.378 -0.832 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H](NC(=O)[O-])C2)cn1 ZINC000827967296 603774565 /nfs/dbraw/zinc/77/45/65/603774565.db2.gz UQUMWJTWECESQP-SNVBAGLBSA-N -1 0 366.378 -0.832 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N(C)CCCNC(=O)[O-])n1 ZINC000827967463 604145932 /nfs/dbraw/zinc/14/59/32/604145932.db2.gz WURMSYBQBSZASL-UHFFFAOYSA-N -1 0 354.367 -0.974 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)NCCCN(C)C(=O)[O-])cn1 ZINC000827967484 603776082 /nfs/dbraw/zinc/77/60/82/603776082.db2.gz XFAVRNDFPCDWPW-UHFFFAOYSA-N -1 0 354.367 -0.974 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC[C@H]2CNC(=O)[O-])n1 ZINC000827967487 604147557 /nfs/dbraw/zinc/14/75/57/604147557.db2.gz XQNGZIKOBGFLKW-JTQLQIEISA-N -1 0 366.378 -0.832 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC[C@@H]2CNC(=O)[O-])n1 ZINC000827967488 604147527 /nfs/dbraw/zinc/14/75/27/604147527.db2.gz XQNGZIKOBGFLKW-SNVBAGLBSA-N -1 0 366.378 -0.832 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC(NC(=O)[O-])CC2)cn1 ZINC000827967509 603774672 /nfs/dbraw/zinc/77/46/72/603774672.db2.gz YSXAJCMBDOVLMI-UHFFFAOYSA-N -1 0 366.378 -0.832 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)n1 ZINC000827974544 603554328 /nfs/dbraw/zinc/55/43/28/603554328.db2.gz APOWBCZPJYCIEH-JTQLQIEISA-N -1 0 353.383 -0.122 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)n1 ZINC000827974546 603554451 /nfs/dbraw/zinc/55/44/51/603554451.db2.gz APOWBCZPJYCIEH-SNVBAGLBSA-N -1 0 353.383 -0.122 20 0 FBADRM CN(C)C(=O)N1CCN(CN2C[C@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000827974630 603597725 /nfs/dbraw/zinc/59/77/25/603597725.db2.gz BZYZLYUEJPYGNB-GFCCVEGCSA-N -1 0 354.411 -0.657 20 0 FBADRM CN(C)C(=O)N1CCN(CN2C[C@@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000827974633 603597957 /nfs/dbraw/zinc/59/79/57/603597957.db2.gz BZYZLYUEJPYGNB-LBPRGKRZSA-N -1 0 354.411 -0.657 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)n1 ZINC000827974760 603554554 /nfs/dbraw/zinc/55/45/54/603554554.db2.gz FKHCXDVYQXYYCI-JTQLQIEISA-N -1 0 353.383 -0.122 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)n1 ZINC000827974761 603554561 /nfs/dbraw/zinc/55/45/61/603554561.db2.gz FKHCXDVYQXYYCI-SNVBAGLBSA-N -1 0 353.383 -0.122 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)N[C@@](C)(CNC(=O)[O-])C2CC2)n1 ZINC000827974819 604344310 /nfs/dbraw/zinc/34/43/10/604344310.db2.gz GQGOUMJZHZTTDT-AWEZNQCLSA-N -1 0 353.383 -0.076 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)N[C@](C)(CNC(=O)[O-])C2CC2)n1 ZINC000827974820 604344513 /nfs/dbraw/zinc/34/45/13/604344513.db2.gz GQGOUMJZHZTTDT-CQSZACIVSA-N -1 0 353.383 -0.076 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)NCC2CCN(C(=O)[O-])CC2)n1 ZINC000827975112 603554428 /nfs/dbraw/zinc/55/44/28/603554428.db2.gz HIUYGQOFHRGESA-UHFFFAOYSA-N -1 0 353.383 -0.122 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)N2CCC[C@H]2CN(C)C(=O)[O-])n1 ZINC000827975427 603554529 /nfs/dbraw/zinc/55/45/29/603554529.db2.gz KVZSHQHYACIFHN-JTQLQIEISA-N -1 0 353.383 -0.028 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)N2CCC[C@@H]2CN(C)C(=O)[O-])n1 ZINC000827975428 603554380 /nfs/dbraw/zinc/55/43/80/603554380.db2.gz KVZSHQHYACIFHN-SNVBAGLBSA-N -1 0 353.383 -0.028 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)C1 ZINC000827975794 602048079 /nfs/dbraw/zinc/04/80/79/602048079.db2.gz GOEBWIKCSQXTOO-GOSISDBHSA-N -1 0 374.397 -0.116 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)C1 ZINC000827975795 602048207 /nfs/dbraw/zinc/04/82/07/602048207.db2.gz GOEBWIKCSQXTOO-SFHVURJKSA-N -1 0 374.397 -0.116 20 0 FBADRM CN(C)C(=O)N1CCN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CC1 ZINC000827975841 603656724 /nfs/dbraw/zinc/65/67/24/603656724.db2.gz PAYBJDLDIREIKC-UHFFFAOYSA-N -1 0 355.439 -0.114 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1 ZINC000827976133 602045369 /nfs/dbraw/zinc/04/53/69/602045369.db2.gz JWAPJHFYHPKBPP-AWEZNQCLSA-N -1 0 373.362 -0.265 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1 ZINC000827976136 602045526 /nfs/dbraw/zinc/04/55/26/602045526.db2.gz JWAPJHFYHPKBPP-CQSZACIVSA-N -1 0 373.362 -0.265 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])n1 ZINC000827976696 603554298 /nfs/dbraw/zinc/55/42/98/603554298.db2.gz XQIPUTOVGCEQHF-NXEZZACHSA-N -1 0 353.383 -0.076 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])n1 ZINC000827976697 603554456 /nfs/dbraw/zinc/55/44/56/603554456.db2.gz XQIPUTOVGCEQHF-UWVGGRQHSA-N -1 0 353.383 -0.076 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])n1 ZINC000827976698 603554376 /nfs/dbraw/zinc/55/43/76/603554376.db2.gz XQIPUTOVGCEQHF-VHSXEESVSA-N -1 0 353.383 -0.076 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])n1 ZINC000827976699 603554373 /nfs/dbraw/zinc/55/43/73/603554373.db2.gz XQIPUTOVGCEQHF-ZJUUUORDSA-N -1 0 353.383 -0.076 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000827980751 602015512 /nfs/dbraw/zinc/01/55/12/602015512.db2.gz KGXPQUZHAZOVOI-CXAGYDPISA-N -1 0 353.419 -0.510 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000827980771 602015419 /nfs/dbraw/zinc/01/54/19/602015419.db2.gz KGXPQUZHAZOVOI-DYVFJYSZSA-N -1 0 353.419 -0.510 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000827980774 602015256 /nfs/dbraw/zinc/01/52/56/602015256.db2.gz KGXPQUZHAZOVOI-GUYCJALGSA-N -1 0 353.419 -0.510 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000827980776 602015468 /nfs/dbraw/zinc/01/54/68/602015468.db2.gz KGXPQUZHAZOVOI-SUMWQHHRSA-N -1 0 353.419 -0.510 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000827980812 602049922 /nfs/dbraw/zinc/04/99/22/602049922.db2.gz LZJXKDQCZDHQRY-AWEZNQCLSA-N -1 0 355.372 -0.404 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000827980815 602050040 /nfs/dbraw/zinc/05/00/40/602050040.db2.gz LZJXKDQCZDHQRY-CQSZACIVSA-N -1 0 355.372 -0.404 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000827980862 602053215 /nfs/dbraw/zinc/05/32/15/602053215.db2.gz OGBVTAKPYSTQTR-AWEZNQCLSA-N -1 0 355.372 -0.404 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000827980863 602053378 /nfs/dbraw/zinc/05/33/78/602053378.db2.gz OGBVTAKPYSTQTR-CQSZACIVSA-N -1 0 355.372 -0.404 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000827980868 602020162 /nfs/dbraw/zinc/02/01/62/602020162.db2.gz OWXWZWALQIULAN-BMIGLBTASA-N -1 0 371.415 -0.525 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000827980869 602019853 /nfs/dbraw/zinc/01/98/53/602019853.db2.gz OWXWZWALQIULAN-BONVTDFDSA-N -1 0 371.415 -0.525 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000827980870 602020107 /nfs/dbraw/zinc/02/01/07/602020107.db2.gz OWXWZWALQIULAN-MEBBXXQBSA-N -1 0 371.415 -0.525 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000827980871 602020160 /nfs/dbraw/zinc/02/01/60/602020160.db2.gz OWXWZWALQIULAN-ZUZCIYMTSA-N -1 0 371.415 -0.525 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C1 ZINC000827980876 604868120 /nfs/dbraw/zinc/86/81/20/604868120.db2.gz PKRZEVLOMKIJEU-INIZCTEOSA-N -1 0 363.374 -0.577 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C1 ZINC000827980877 604868072 /nfs/dbraw/zinc/86/80/72/604868072.db2.gz PKRZEVLOMKIJEU-MRXNPFEDSA-N -1 0 363.374 -0.577 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C1 ZINC000827981147 602050347 /nfs/dbraw/zinc/05/03/47/602050347.db2.gz XAABNOFBOBJSRI-AWEZNQCLSA-N -1 0 355.372 -0.253 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C1 ZINC000827981155 602050387 /nfs/dbraw/zinc/05/03/87/602050387.db2.gz XAABNOFBOBJSRI-CQSZACIVSA-N -1 0 355.372 -0.253 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCCN(C(=O)[O-])CC2)ccn1 ZINC000827981732 604143164 /nfs/dbraw/zinc/14/31/64/604143164.db2.gz AKCGGJARTBISCH-UHFFFAOYSA-N -1 0 363.374 -0.066 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)NCCCN(C)C(=O)[O-])ccn1 ZINC000827981737 604147355 /nfs/dbraw/zinc/14/73/55/604147355.db2.gz ASFFXEVGQPEUPH-UHFFFAOYSA-N -1 0 351.363 -0.162 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCC[C@@H]2CNC(=O)[O-])ccn1 ZINC000827981758 604147552 /nfs/dbraw/zinc/14/75/52/604147552.db2.gz BHPFHFVTQLRCIX-LLVKDONJSA-N -1 0 363.374 -0.020 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCC[C@H]2CNC(=O)[O-])ccn1 ZINC000827981759 604147491 /nfs/dbraw/zinc/14/74/91/604147491.db2.gz BHPFHFVTQLRCIX-NSHDSACASA-N -1 0 363.374 -0.020 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)NCCN(C(=O)[O-])C2CC2)ccn1 ZINC000827982149 604145872 /nfs/dbraw/zinc/14/58/72/604145872.db2.gz HVALKVWEGZHIQU-UHFFFAOYSA-N -1 0 363.374 -0.020 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](CNC(=O)[O-])C2)ccn1 ZINC000827982358 604143161 /nfs/dbraw/zinc/14/31/61/604143161.db2.gz IDQQYOLCHALZSF-JTQLQIEISA-N -1 0 363.374 -0.162 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)N2CC[C@H](CNC(=O)[O-])C2)ccn1 ZINC000827982359 604143390 /nfs/dbraw/zinc/14/33/90/604143390.db2.gz IDQQYOLCHALZSF-SNVBAGLBSA-N -1 0 363.374 -0.162 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)N(C)CCCNC(=O)[O-])ccn1 ZINC000827982414 604145805 /nfs/dbraw/zinc/14/58/05/604145805.db2.gz IYENBCDWGQVIHY-UHFFFAOYSA-N -1 0 351.363 -0.162 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)N[C@H](CNC(=O)[O-])C2CC2)ccn1 ZINC000827982792 604147172 /nfs/dbraw/zinc/14/71/72/604147172.db2.gz MWBOTSWPPZJZHW-GFCCVEGCSA-N -1 0 363.374 -0.116 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)N[C@@H](CNC(=O)[O-])C2CC2)ccn1 ZINC000827982793 604147138 /nfs/dbraw/zinc/14/71/38/604147138.db2.gz MWBOTSWPPZJZHW-LBPRGKRZSA-N -1 0 363.374 -0.116 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCC(NC(=O)[O-])CC2)ccn1 ZINC000827982947 604143199 /nfs/dbraw/zinc/14/31/99/604143199.db2.gz NZSUIKMRJWDOMS-UHFFFAOYSA-N -1 0 363.374 -0.020 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)NC[C@H]2CCCN2C(=O)[O-])ccn1 ZINC000827983200 604145736 /nfs/dbraw/zinc/14/57/36/604145736.db2.gz RJEAPSSFSJJRDS-LLVKDONJSA-N -1 0 363.374 -0.020 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CCCN2C(=O)[O-])ccn1 ZINC000827983201 604145877 /nfs/dbraw/zinc/14/58/77/604145877.db2.gz RJEAPSSFSJJRDS-NSHDSACASA-N -1 0 363.374 -0.020 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)ccn1 ZINC000827983214 604149881 /nfs/dbraw/zinc/14/98/81/604149881.db2.gz RVBWHRNEMZDYFT-LLVKDONJSA-N -1 0 363.374 -0.067 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)N2CC[C@H](N(C)C(=O)[O-])C2)ccn1 ZINC000827983215 604149828 /nfs/dbraw/zinc/14/98/28/604149828.db2.gz RVBWHRNEMZDYFT-NSHDSACASA-N -1 0 363.374 -0.067 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCC[C@@H](NC(=O)[O-])C2)ccn1 ZINC000827983242 604143517 /nfs/dbraw/zinc/14/35/17/604143517.db2.gz SUHLGVAJDIGVIJ-LLVKDONJSA-N -1 0 363.374 -0.020 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCC[C@H](NC(=O)[O-])C2)ccn1 ZINC000827983243 604143354 /nfs/dbraw/zinc/14/33/54/604143354.db2.gz SUHLGVAJDIGVIJ-NSHDSACASA-N -1 0 363.374 -0.020 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)NCC(C)(C)NC(=O)[O-])ccn1 ZINC000827983526 604147519 /nfs/dbraw/zinc/14/75/19/604147519.db2.gz YYAFDGNTZORFIQ-UHFFFAOYSA-N -1 0 351.363 -0.116 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)ccn1 ZINC000827983551 604145674 /nfs/dbraw/zinc/14/56/74/604145674.db2.gz ZFWVKUOOZKFVNR-LLVKDONJSA-N -1 0 363.374 -0.020 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)ccn1 ZINC000827983552 604145834 /nfs/dbraw/zinc/14/58/34/604145834.db2.gz ZFWVKUOOZKFVNR-NSHDSACASA-N -1 0 363.374 -0.020 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000828003021 602087577 /nfs/dbraw/zinc/08/75/77/602087577.db2.gz VNMAZSCOOURKPD-CYBMUJFWSA-N -1 0 360.392 -0.400 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000828003023 602087671 /nfs/dbraw/zinc/08/76/71/602087671.db2.gz VNMAZSCOOURKPD-ZDUSSCGKSA-N -1 0 360.392 -0.400 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000828003112 602065482 /nfs/dbraw/zinc/06/54/82/602065482.db2.gz ZTSOHBTZDUZGIA-AWEZNQCLSA-N -1 0 362.452 -0.930 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000828003114 602065726 /nfs/dbraw/zinc/06/57/26/602065726.db2.gz ZTSOHBTZDUZGIA-CQSZACIVSA-N -1 0 362.452 -0.930 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC000828016596 602035795 /nfs/dbraw/zinc/03/57/95/602035795.db2.gz FETKZOUDJBWZEJ-HNNXBMFYSA-N -1 0 354.384 -0.118 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC000828016597 602035926 /nfs/dbraw/zinc/03/59/26/602035926.db2.gz FETKZOUDJBWZEJ-OAHLLOKOSA-N -1 0 354.384 -0.118 20 0 FBADRM CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCNC(=O)[O-])cc1 ZINC000828017208 603610001 /nfs/dbraw/zinc/61/00/01/603610001.db2.gz INQYSKLERRUUBL-UHFFFAOYSA-N -1 0 351.363 -0.491 20 0 FBADRM CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCN(C)C(=O)[O-])cc1 ZINC000828017651 603612391 /nfs/dbraw/zinc/61/23/91/603612391.db2.gz SKLWCGMPFSNJML-UHFFFAOYSA-N -1 0 365.390 -0.149 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000828020372 601921350 /nfs/dbraw/zinc/92/13/50/601921350.db2.gz OYBFHYAMYDWODQ-BBRMVZONSA-N -1 0 373.475 -0.886 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000828020375 601921180 /nfs/dbraw/zinc/92/11/80/601921180.db2.gz OYBFHYAMYDWODQ-CJNGLKHVSA-N -1 0 373.475 -0.886 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000828020376 601921567 /nfs/dbraw/zinc/92/15/67/601921567.db2.gz OYBFHYAMYDWODQ-CZUORRHYSA-N -1 0 373.475 -0.886 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000828020377 601921320 /nfs/dbraw/zinc/92/13/20/601921320.db2.gz OYBFHYAMYDWODQ-XJKSGUPXSA-N -1 0 373.475 -0.886 20 0 FBADRM CN(C)CCN(C(=O)CN(CC1CC1)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000828024145 604000166 /nfs/dbraw/zinc/00/01/66/604000166.db2.gz JWYLASJEMUCHBC-CYBMUJFWSA-N -1 0 361.464 -0.046 20 0 FBADRM CN(C)CCN(C(=O)CN(CC1CC1)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000828024149 604000646 /nfs/dbraw/zinc/00/06/46/604000646.db2.gz JWYLASJEMUCHBC-ZDUSSCGKSA-N -1 0 361.464 -0.046 20 0 FBADRM CN(C)CCN(C(=O)[C@@]1(F)CCN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000828024350 604000365 /nfs/dbraw/zinc/00/03/65/604000365.db2.gz MYVMLJDRNUEGLA-BXUZGUMPSA-N -1 0 365.427 -0.344 20 0 FBADRM CN(C)CCN(C(=O)[C@]1(F)CCN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000828024353 604001010 /nfs/dbraw/zinc/00/10/10/604001010.db2.gz MYVMLJDRNUEGLA-FZMZJTMJSA-N -1 0 365.427 -0.344 20 0 FBADRM CN(C)CCN(C(=O)[C@]1(F)CCN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000828024354 604000353 /nfs/dbraw/zinc/00/03/53/604000353.db2.gz MYVMLJDRNUEGLA-RISCZKNCSA-N -1 0 365.427 -0.344 20 0 FBADRM CN(C)CCN(C(=O)[C@@]1(F)CCN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000828024356 604000657 /nfs/dbraw/zinc/00/06/57/604000657.db2.gz MYVMLJDRNUEGLA-SMDDNHRTSA-N -1 0 365.427 -0.344 20 0 FBADRM CC1(C)C(=O)NC(=O)N1CC(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000828042047 600677529 /nfs/dbraw/zinc/67/75/29/600677529.db2.gz MKTMRSULYWFSIG-UHFFFAOYSA-N -1 0 369.374 -0.236 20 0 FBADRM CC1(C)C(=O)NC(=O)N1CC(=O)OCc1noc(CCCC(=O)[O-])n1 ZINC000828042217 600677535 /nfs/dbraw/zinc/67/75/35/600677535.db2.gz TYXGNQGNNLNNDK-UHFFFAOYSA-N -1 0 354.319 -0.150 20 0 FBADRM CN(C)S(=O)(=O)CCCN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000828046552 603873900 /nfs/dbraw/zinc/87/39/00/603873900.db2.gz ONSLPUINOZZMFK-UHFFFAOYSA-N -1 0 362.408 -0.668 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000828050578 604715338 /nfs/dbraw/zinc/71/53/38/604715338.db2.gz BJLJOOSUMMCKND-CYBMUJFWSA-N -1 0 371.415 -0.068 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000828050580 604715267 /nfs/dbraw/zinc/71/52/67/604715267.db2.gz BJLJOOSUMMCKND-ZDUSSCGKSA-N -1 0 371.415 -0.068 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)c1 ZINC000828050785 603757643 /nfs/dbraw/zinc/75/76/43/603757643.db2.gz FMODAZSKXZQLFG-LLVKDONJSA-N -1 0 359.360 -0.257 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)c1 ZINC000828050790 603757660 /nfs/dbraw/zinc/75/76/60/603757660.db2.gz FMODAZSKXZQLFG-NSHDSACASA-N -1 0 359.360 -0.257 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)COC1CN(C(=O)[O-])C1 ZINC000828050834 603743421 /nfs/dbraw/zinc/74/34/21/603743421.db2.gz FZOCIUZJDJHDOJ-UHFFFAOYSA-N -1 0 371.415 -0.068 20 0 FBADRM CN(C)S(=O)(=O)N(C)CCOC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828050841 605076558 /nfs/dbraw/zinc/07/65/58/605076558.db2.gz GMOQLSKCUQZPEG-JTQLQIEISA-N -1 0 353.397 -0.963 20 0 FBADRM CN(C)S(=O)(=O)N(C)CCOC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828050845 605076799 /nfs/dbraw/zinc/07/67/99/605076799.db2.gz GMOQLSKCUQZPEG-SNVBAGLBSA-N -1 0 353.397 -0.963 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)o1 ZINC000828050971 605218663 /nfs/dbraw/zinc/21/86/63/605218663.db2.gz ICIJOGUFHMLAHC-JTQLQIEISA-N -1 0 362.360 -0.048 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(COC(=O)[C@H]2CN(C(=O)[O-])CCO2)o1 ZINC000828050973 605218651 /nfs/dbraw/zinc/21/86/51/605218651.db2.gz ICIJOGUFHMLAHC-SNVBAGLBSA-N -1 0 362.360 -0.048 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC2CN(C(=O)[O-])C2)cc1 ZINC000828051236 604413922 /nfs/dbraw/zinc/41/39/22/604413922.db2.gz LNBPVCHEIYBONZ-UHFFFAOYSA-N -1 0 363.417 -0.423 20 0 FBADRM CN(C)S(=O)(=O)N(C)CCOC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000828051408 605418874 /nfs/dbraw/zinc/41/88/74/605418874.db2.gz MJOFJDSLUJQKID-JTQLQIEISA-N -1 0 369.465 -0.247 20 0 FBADRM CN(C)S(=O)(=O)N(C)CCOC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000828051411 605418855 /nfs/dbraw/zinc/41/88/55/605418855.db2.gz MJOFJDSLUJQKID-SNVBAGLBSA-N -1 0 369.465 -0.247 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(OCCn2nnnc2CNC(=O)[O-])cc1 ZINC000828051412 604029191 /nfs/dbraw/zinc/02/91/91/604029191.db2.gz MLIFXHYFRLRJCP-UHFFFAOYSA-N -1 0 370.391 -0.230 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)C2(CNC(=O)[O-])CCCC2)CC1 ZINC000828051426 603627416 /nfs/dbraw/zinc/62/74/16/603627416.db2.gz MTPLMUSVKBSCLH-UHFFFAOYSA-N -1 0 362.452 -0.235 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828051539 604667052 /nfs/dbraw/zinc/66/70/52/604667052.db2.gz NUXFDLWAMKMVEK-GFCCVEGCSA-N -1 0 371.415 -0.068 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828051540 604666998 /nfs/dbraw/zinc/66/69/98/604666998.db2.gz NUXFDLWAMKMVEK-LBPRGKRZSA-N -1 0 371.415 -0.068 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000828051545 603663864 /nfs/dbraw/zinc/66/38/64/603663864.db2.gz OCZDWGIVIDFUMV-AAEUAGOBSA-N -1 0 371.415 -0.334 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000828051546 603664078 /nfs/dbraw/zinc/66/40/78/603664078.db2.gz OCZDWGIVIDFUMV-DGCLKSJQSA-N -1 0 371.415 -0.334 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000828051547 603664073 /nfs/dbraw/zinc/66/40/73/603664073.db2.gz OCZDWGIVIDFUMV-WCQYABFASA-N -1 0 371.415 -0.334 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000828051548 603663921 /nfs/dbraw/zinc/66/39/21/603663921.db2.gz OCZDWGIVIDFUMV-YPMHNXCESA-N -1 0 371.415 -0.334 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(CNC(=O)COC2CN(C(=O)[O-])C2)cc1 ZINC000828051552 603747276 /nfs/dbraw/zinc/74/72/76/603747276.db2.gz OGVUJYFMOMVXQQ-UHFFFAOYSA-N -1 0 371.415 -0.068 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000828051556 603835915 /nfs/dbraw/zinc/83/59/15/603835915.db2.gz OMOKJLIKXQMESC-GFCCVEGCSA-N -1 0 352.388 -0.971 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000828051557 603835823 /nfs/dbraw/zinc/83/58/23/603835823.db2.gz OMOKJLIKXQMESC-LBPRGKRZSA-N -1 0 352.388 -0.971 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)NCC(C)(C)NC(=O)[O-])CC1 ZINC000828051584 603461099 /nfs/dbraw/zinc/46/10/99/603461099.db2.gz OXLOBYPBELFSHS-UHFFFAOYSA-N -1 0 351.429 -0.834 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(CNC(=O)[O-])o2)CC1 ZINC000828051643 603304762 /nfs/dbraw/zinc/30/47/62/603304762.db2.gz QOFZLWBNDUMHSI-UHFFFAOYSA-N -1 0 360.392 -0.389 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(COC(=O)[C@@H]2COCCN2C(=O)[O-])o1 ZINC000828051733 603896787 /nfs/dbraw/zinc/89/67/87/603896787.db2.gz UYRHWTZRLXTHAB-JTQLQIEISA-N -1 0 362.360 -0.048 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(COC(=O)[C@H]2COCCN2C(=O)[O-])o1 ZINC000828051734 603897234 /nfs/dbraw/zinc/89/72/34/603897234.db2.gz UYRHWTZRLXTHAB-SNVBAGLBSA-N -1 0 362.360 -0.048 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(COC(=O)COC2CN(C(=O)[O-])C2)o1 ZINC000828051752 603449857 /nfs/dbraw/zinc/44/98/57/603449857.db2.gz VJYCJBWZEQOAGB-UHFFFAOYSA-N -1 0 362.360 -0.048 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H](NC(=O)[O-])C(C)(C)C)CC1 ZINC000828052011 605618675 /nfs/dbraw/zinc/61/86/75/605618675.db2.gz ZIGWEPIAEVOMJH-SNVBAGLBSA-N -1 0 350.441 -0.381 20 0 FBADRM CN(C)S(=O)(=O)N(C)CCOC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000828052015 603440079 /nfs/dbraw/zinc/44/00/79/603440079.db2.gz ZPCDKUDDCWCGPD-LLVKDONJSA-N -1 0 367.424 -0.573 20 0 FBADRM CN(C)S(=O)(=O)N(C)CCOC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000828052017 603440046 /nfs/dbraw/zinc/44/00/46/603440046.db2.gz ZPCDKUDDCWCGPD-NSHDSACASA-N -1 0 367.424 -0.573 20 0 FBADRM CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)OCC(=O)NCC(=O)[O-])C2=O ZINC000828064985 604863205 /nfs/dbraw/zinc/86/32/05/604863205.db2.gz GWRJJSAUHYMEBY-INIZCTEOSA-N -1 0 369.374 -0.379 20 0 FBADRM CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)OCC(=O)NCC(=O)[O-])C2=O ZINC000828064986 604863180 /nfs/dbraw/zinc/86/31/80/604863180.db2.gz GWRJJSAUHYMEBY-MRXNPFEDSA-N -1 0 369.374 -0.379 20 0 FBADRM CC1(C)CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCS1(=O)=O ZINC000828074308 601810389 /nfs/dbraw/zinc/81/03/89/601810389.db2.gz FWODEJMSLJAKBD-UHFFFAOYSA-N -1 0 354.450 -0.463 20 0 FBADRM CN(C)c1nc(CNC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)cs1 ZINC000828076325 603525032 /nfs/dbraw/zinc/52/50/32/603525032.db2.gz CZNBKKCKQQWPSR-UHFFFAOYSA-N -1 0 370.435 -0.170 20 0 FBADRM CN(C)c1nc(N)nc(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)n1 ZINC000828077996 603875484 /nfs/dbraw/zinc/87/54/84/603875484.db2.gz RSVVZHDMLDOBNI-UHFFFAOYSA-N -1 0 364.366 -0.916 20 0 FBADRM CN(C)c1nc(N)nc(COC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])n1 ZINC000828078021 603920344 /nfs/dbraw/zinc/92/03/44/603920344.db2.gz SJZKTEITZQUFAO-SECBINFHSA-N -1 0 354.367 -0.278 20 0 FBADRM CN(C)c1nc(N)nc(COC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])n1 ZINC000828078026 603920401 /nfs/dbraw/zinc/92/04/01/603920401.db2.gz SJZKTEITZQUFAO-VIFPVBQESA-N -1 0 354.367 -0.278 20 0 FBADRM CN(C)c1nc(N)nc(COC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)n1 ZINC000828078474 605342377 /nfs/dbraw/zinc/34/23/77/605342377.db2.gz WXKXMELCHKJEPO-SECBINFHSA-N -1 0 354.367 -0.278 20 0 FBADRM CN(C)c1nc(N)nc(COC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)n1 ZINC000828078476 605342128 /nfs/dbraw/zinc/34/21/28/605342128.db2.gz WXKXMELCHKJEPO-VIFPVBQESA-N -1 0 354.367 -0.278 20 0 FBADRM CC1(C)CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CCS1(=O)=O ZINC000828078838 601810247 /nfs/dbraw/zinc/81/02/47/601810247.db2.gz UCIHQNNOFMMFDY-UHFFFAOYSA-N -1 0 351.406 -0.835 20 0 FBADRM CN(C)c1ncc(CNC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)n1C ZINC000828080407 603625088 /nfs/dbraw/zinc/62/50/88/603625088.db2.gz BWYZLCALLCDQPD-UHFFFAOYSA-N -1 0 367.410 -0.893 20 0 FBADRM CN(C1CCC(NC(=O)[O-])CC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000828081299 604230842 /nfs/dbraw/zinc/23/08/42/604230842.db2.gz PXMCCAQNLHTCEH-UHFFFAOYSA-N -1 0 374.419 -0.717 20 0 FBADRM CN(C)c1ncc(CNC(=O)NCCCN2CCN(C(=O)[O-])CC2)n1C ZINC000828081618 603623274 /nfs/dbraw/zinc/62/32/74/603623274.db2.gz XPJVSOOBUUHKLP-UHFFFAOYSA-N -1 0 367.454 -0.029 20 0 FBADRM CN(C)c1ncc(CNC(=O)NCCN2CCN(C(=O)[O-])CC2)n1C ZINC000828081628 603626283 /nfs/dbraw/zinc/62/62/83/603626283.db2.gz XXEAISMNGHCPLC-UHFFFAOYSA-N -1 0 353.427 -0.419 20 0 FBADRM CC1(C)NC(=O)N(CCC(=O)OCCc2cn(CC(=O)[O-])nn2)C1=O ZINC000828081955 604834933 /nfs/dbraw/zinc/83/49/33/604834933.db2.gz GWRASKRWPHXBQC-UHFFFAOYSA-N -1 0 353.335 -0.831 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)OCCc2cn(CC(=O)[O-])nn2)C1=O ZINC000828082352 604699107 /nfs/dbraw/zinc/69/91/07/604699107.db2.gz OKHKXIOQWHJMPL-HNNXBMFYSA-N -1 0 365.346 -0.831 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)OCCc2cn(CC(=O)[O-])nn2)C1=O ZINC000828082353 604698819 /nfs/dbraw/zinc/69/88/19/604698819.db2.gz OKHKXIOQWHJMPL-OAHLLOKOSA-N -1 0 365.346 -0.831 20 0 FBADRM CN([C@@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000828085561 603475064 /nfs/dbraw/zinc/47/50/64/603475064.db2.gz FUCBHHIFCDTOHC-SECBINFHSA-N -1 0 363.417 -0.293 20 0 FBADRM CN([C@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000828085562 603474793 /nfs/dbraw/zinc/47/47/93/603474793.db2.gz FUCBHHIFCDTOHC-VIFPVBQESA-N -1 0 363.417 -0.293 20 0 FBADRM CN(C1CCN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)CC1)S(C)(=O)=O ZINC000828085665 603588090 /nfs/dbraw/zinc/58/80/90/603588090.db2.gz JHJUGVNZARUOAK-UHFFFAOYSA-N -1 0 374.463 -0.488 20 0 FBADRM CN([C@@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000828085859 603472425 /nfs/dbraw/zinc/47/24/25/603472425.db2.gz MKCSNXKRVJILHI-SECBINFHSA-N -1 0 363.417 -0.293 20 0 FBADRM CN([C@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000828085860 603472635 /nfs/dbraw/zinc/47/26/35/603472635.db2.gz MKCSNXKRVJILHI-VIFPVBQESA-N -1 0 363.417 -0.293 20 0 FBADRM CN(C1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1)S(C)(=O)=O ZINC000828086263 603861641 /nfs/dbraw/zinc/86/16/41/603861641.db2.gz RFCLRAZJNOPTLU-CYBMUJFWSA-N -1 0 351.400 -0.039 20 0 FBADRM CN(C1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1)S(C)(=O)=O ZINC000828086264 603862138 /nfs/dbraw/zinc/86/21/38/603862138.db2.gz RFCLRAZJNOPTLU-ZDUSSCGKSA-N -1 0 351.400 -0.039 20 0 FBADRM CN([C@@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000828086520 603474218 /nfs/dbraw/zinc/47/42/18/603474218.db2.gz VYKIRKHHAJCVLF-MRVPVSSYSA-N -1 0 368.371 -0.411 20 0 FBADRM CN([C@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000828086522 603474401 /nfs/dbraw/zinc/47/44/01/603474401.db2.gz VYKIRKHHAJCVLF-QMMMGPOBSA-N -1 0 368.371 -0.411 20 0 FBADRM CN(C1CCOCC1)S(=O)(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000828086527 603910898 /nfs/dbraw/zinc/91/08/98/603910898.db2.gz VZOKJNSGGYCRDK-UHFFFAOYSA-N -1 0 364.468 -0.383 20 0 FBADRM CN(C1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1)S(C)(=O)=O ZINC000828086594 604757443 /nfs/dbraw/zinc/75/74/43/604757443.db2.gz XAOUGLLEUWEPPS-GFCCVEGCSA-N -1 0 363.436 -0.362 20 0 FBADRM CN(C1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1)S(C)(=O)=O ZINC000828086596 604757158 /nfs/dbraw/zinc/75/71/58/604757158.db2.gz XAOUGLLEUWEPPS-LBPRGKRZSA-N -1 0 363.436 -0.362 20 0 FBADRM C[C@@]1([C@@H]2CCCN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)C2)NC(=O)NC1=O ZINC000828088259 602214423 /nfs/dbraw/zinc/21/44/23/602214423.db2.gz IGWMMOXWBLZNTR-CLAHSXSESA-N -1 0 370.387 -0.288 20 0 FBADRM C[C@]1([C@H]2CCCN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)C2)NC(=O)NC1=O ZINC000828088260 602214263 /nfs/dbraw/zinc/21/42/63/602214263.db2.gz IGWMMOXWBLZNTR-RMLUDKJBSA-N -1 0 370.387 -0.288 20 0 FBADRM C[C@@]1([C@H]2CCCN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)C2)NC(=O)NC1=O ZINC000828088261 602214377 /nfs/dbraw/zinc/21/43/77/602214377.db2.gz IGWMMOXWBLZNTR-RTHLEPHNSA-N -1 0 370.387 -0.288 20 0 FBADRM C[C@]1([C@@H]2CCCN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)C2)NC(=O)NC1=O ZINC000828088262 602214337 /nfs/dbraw/zinc/21/43/37/602214337.db2.gz IGWMMOXWBLZNTR-XLKFXECMSA-N -1 0 370.387 -0.288 20 0 FBADRM C[C@@]1(C2CCN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)CC2)NC(=O)NC1=O ZINC000828088766 601580003 /nfs/dbraw/zinc/58/00/03/601580003.db2.gz MBTUAULENPFWCG-AWEZNQCLSA-N -1 0 370.387 -0.288 20 0 FBADRM C[C@]1(C2CCN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)CC2)NC(=O)NC1=O ZINC000828088768 601580130 /nfs/dbraw/zinc/58/01/30/601580130.db2.gz MBTUAULENPFWCG-CQSZACIVSA-N -1 0 370.387 -0.288 20 0 FBADRM C[C@@]1(C2CCN(S(=O)(=O)CC3(CC(=O)[O-])CC3)CC2)NC(=O)NC1=O ZINC000828088822 601579942 /nfs/dbraw/zinc/57/99/42/601579942.db2.gz NGPPADHIKQUMNJ-AWEZNQCLSA-N -1 0 373.431 -0.119 20 0 FBADRM C[C@]1(C2CCN(S(=O)(=O)CC3(CC(=O)[O-])CC3)CC2)NC(=O)NC1=O ZINC000828088823 601579998 /nfs/dbraw/zinc/57/99/98/601579998.db2.gz NGPPADHIKQUMNJ-CQSZACIVSA-N -1 0 373.431 -0.119 20 0 FBADRM C[C@@]1([C@H]2CCCN(S(=O)(=O)CC3(CC(=O)[O-])CC3)C2)NC(=O)NC1=O ZINC000828088902 602214269 /nfs/dbraw/zinc/21/42/69/602214269.db2.gz OBINFRRSDUBFRR-HZMBPMFUSA-N -1 0 373.431 -0.119 20 0 FBADRM C[C@]1([C@H]2CCCN(S(=O)(=O)CC3(CC(=O)[O-])CC3)C2)NC(=O)NC1=O ZINC000828088903 602214342 /nfs/dbraw/zinc/21/43/42/602214342.db2.gz OBINFRRSDUBFRR-IINYFYTJSA-N -1 0 373.431 -0.119 20 0 FBADRM C[C@]1([C@@H]2CCCN(S(=O)(=O)CC3(CC(=O)[O-])CC3)C2)NC(=O)NC1=O ZINC000828088904 602214422 /nfs/dbraw/zinc/21/44/22/602214422.db2.gz OBINFRRSDUBFRR-QMTHXVAHSA-N -1 0 373.431 -0.119 20 0 FBADRM C[C@@]1([C@@H]2CCCN(S(=O)(=O)CC3(CC(=O)[O-])CC3)C2)NC(=O)NC1=O ZINC000828088905 602214331 /nfs/dbraw/zinc/21/43/31/602214331.db2.gz OBINFRRSDUBFRR-YGRLFVJLSA-N -1 0 373.431 -0.119 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CN(CCN2CCOCC2)CC(=O)[O-])C1=O ZINC000828089129 600984942 /nfs/dbraw/zinc/98/49/42/600984942.db2.gz SCZCHFZFCWBQKI-INIZCTEOSA-N -1 0 354.407 -0.617 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CN(CCN2CCOCC2)CC(=O)[O-])C1=O ZINC000828089130 600984848 /nfs/dbraw/zinc/98/48/48/600984848.db2.gz SCZCHFZFCWBQKI-MRXNPFEDSA-N -1 0 354.407 -0.617 20 0 FBADRM C[C@@]1([C@@H]2CCCN(S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)NC(=O)NC1=O ZINC000828089329 601271887 /nfs/dbraw/zinc/27/18/87/601271887.db2.gz UXBQFUVGXGFZTN-CLAHSXSESA-N -1 0 371.371 -0.023 20 0 FBADRM C[C@]1([C@H]2CCCN(S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)NC(=O)NC1=O ZINC000828089330 601271722 /nfs/dbraw/zinc/27/17/22/601271722.db2.gz UXBQFUVGXGFZTN-RMLUDKJBSA-N -1 0 371.371 -0.023 20 0 FBADRM C[C@@]1([C@H]2CCCN(S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)NC(=O)NC1=O ZINC000828089331 601271791 /nfs/dbraw/zinc/27/17/91/601271791.db2.gz UXBQFUVGXGFZTN-RTHLEPHNSA-N -1 0 371.371 -0.023 20 0 FBADRM C[C@]1([C@@H]2CCCN(S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)NC(=O)NC1=O ZINC000828089332 601271666 /nfs/dbraw/zinc/27/16/66/601271666.db2.gz UXBQFUVGXGFZTN-XLKFXECMSA-N -1 0 371.371 -0.023 20 0 FBADRM C[C@]1([C@H]2CCCN(C(=O)Nc3ccn(CC(=O)[O-])n3)C2)NC(=O)NC1=O ZINC000828089342 601243535 /nfs/dbraw/zinc/24/35/35/601243535.db2.gz VDEHICDZWCEILN-BJOHPYRUSA-N -1 0 364.362 -0.190 20 0 FBADRM C[C@@]1([C@@H]2CCCN(C(=O)Nc3ccn(CC(=O)[O-])n3)C2)NC(=O)NC1=O ZINC000828089343 601243685 /nfs/dbraw/zinc/24/36/85/601243685.db2.gz VDEHICDZWCEILN-PSLIRLAXSA-N -1 0 364.362 -0.190 20 0 FBADRM C[C@]1([C@@H]2CCCN(C(=O)Nc3ccn(CC(=O)[O-])n3)C2)NC(=O)NC1=O ZINC000828089344 601243591 /nfs/dbraw/zinc/24/35/91/601243591.db2.gz VDEHICDZWCEILN-RFAUZJTJSA-N -1 0 364.362 -0.190 20 0 FBADRM C[C@@]1([C@H]2CCCN(C(=O)Nc3ccn(CC(=O)[O-])n3)C2)NC(=O)NC1=O ZINC000828089345 601243645 /nfs/dbraw/zinc/24/36/45/601243645.db2.gz VDEHICDZWCEILN-VFZGTOFNSA-N -1 0 364.362 -0.190 20 0 FBADRM C[C@@]1(C2CCN(S(=O)(=O)c3ccc(C(=O)[O-])o3)CC2)NC(=O)NC1=O ZINC000828089364 601271717 /nfs/dbraw/zinc/27/17/17/601271717.db2.gz VVOGYEWJNITSIR-AWEZNQCLSA-N -1 0 371.371 -0.023 20 0 FBADRM C[C@]1(C2CCN(S(=O)(=O)c3ccc(C(=O)[O-])o3)CC2)NC(=O)NC1=O ZINC000828089365 601271663 /nfs/dbraw/zinc/27/16/63/601271663.db2.gz VVOGYEWJNITSIR-CQSZACIVSA-N -1 0 371.371 -0.023 20 0 FBADRM CN(CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000828090239 604067863 /nfs/dbraw/zinc/06/78/63/604067863.db2.gz KYNHCGRKNPBYRI-AGIUHOORSA-N -1 0 359.448 -0.151 20 0 FBADRM CN(CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000828090259 604067770 /nfs/dbraw/zinc/06/77/70/604067770.db2.gz KYNHCGRKNPBYRI-FRRDWIJNSA-N -1 0 359.448 -0.151 20 0 FBADRM CN(CC(=O)N1CCCC1)C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000828090265 603999439 /nfs/dbraw/zinc/99/94/39/603999439.db2.gz LDTSDGQSWDDYRY-UHFFFAOYSA-N -1 0 355.439 -0.064 20 0 FBADRM CN(CC(=O)N1CCC(OCCCNC(=O)[O-])CC1)S(C)(=O)=O ZINC000828091156 604074991 /nfs/dbraw/zinc/07/49/91/604074991.db2.gz VOVDQDHOIMXTSE-UHFFFAOYSA-N -1 0 351.425 -0.457 20 0 FBADRM CN(CC(=O)N1CCC[C@@H]1CNC(=O)[O-])S(=O)(=O)c1cccnc1 ZINC000828091382 603130086 /nfs/dbraw/zinc/13/00/86/603130086.db2.gz XRXPVYWCYSNKPE-LLVKDONJSA-N -1 0 356.404 -0.039 20 0 FBADRM CN(CC(=O)N1CCC[C@H]1CNC(=O)[O-])S(=O)(=O)c1cccnc1 ZINC000828091383 603129951 /nfs/dbraw/zinc/12/99/51/603129951.db2.gz XRXPVYWCYSNKPE-NSHDSACASA-N -1 0 356.404 -0.039 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)CN1CC2(CC1=O)CCOCC2 ZINC000828095247 603874318 /nfs/dbraw/zinc/87/43/18/603874318.db2.gz DGZHKULLNGBKRB-UHFFFAOYSA-N -1 0 368.434 -0.273 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)c1cc(C(N)=O)cn1C ZINC000828095614 604175252 /nfs/dbraw/zinc/17/52/52/604175252.db2.gz KUBKIJKNEFKFLC-UHFFFAOYSA-N -1 0 351.363 -0.982 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C[C@@H](O)COC1CCOCC1 ZINC000828095617 603490878 /nfs/dbraw/zinc/49/08/78/603490878.db2.gz KXOSSABCHKCPAL-CYBMUJFWSA-N -1 0 359.423 -0.703 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C[C@H](O)COC1CCOCC1 ZINC000828095618 603490768 /nfs/dbraw/zinc/49/07/68/603490768.db2.gz KXOSSABCHKCPAL-ZDUSSCGKSA-N -1 0 359.423 -0.703 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)c1cnc2c(cnn2C)c1 ZINC000828095815 603478757 /nfs/dbraw/zinc/47/87/57/603478757.db2.gz OFKWWGDKAWSQMU-UHFFFAOYSA-N -1 0 360.374 -0.138 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)Cn1nc(CO)n(C)c1=S ZINC000828095820 605173033 /nfs/dbraw/zinc/17/30/33/605173033.db2.gz OKJCXWXXIKJWBS-UHFFFAOYSA-N -1 0 358.424 -0.845 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)CN1C[C@]2(CCOC2)CC1=O ZINC000828095863 603606631 /nfs/dbraw/zinc/60/66/31/603606631.db2.gz QBQIQUMRQVTOJE-INIZCTEOSA-N -1 0 354.407 -0.663 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)CN1C[C@@]2(CCOC2)CC1=O ZINC000828095864 603606374 /nfs/dbraw/zinc/60/63/74/603606374.db2.gz QBQIQUMRQVTOJE-MRXNPFEDSA-N -1 0 354.407 -0.663 20 0 FBADRM CN(CC(=O)N1CCOCC1)C(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000828095963 603637892 /nfs/dbraw/zinc/63/78/92/603637892.db2.gz QENDHFYPSOTPGE-UHFFFAOYSA-N -1 0 356.423 -0.622 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)S(=O)(=O)CC[C@H]1CCCO1 ZINC000828096030 604464125 /nfs/dbraw/zinc/46/41/25/604464125.db2.gz SQJGKEQLLTVNTB-GFCCVEGCSA-N -1 0 363.436 -0.361 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)S(=O)(=O)CC[C@@H]1CCCO1 ZINC000828096031 604464330 /nfs/dbraw/zinc/46/43/30/604464330.db2.gz SQJGKEQLLTVNTB-LBPRGKRZSA-N -1 0 363.436 -0.361 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)Cn1c2cnccc2n(C)c1=O ZINC000828096038 604721757 /nfs/dbraw/zinc/72/17/57/604721757.db2.gz TWPSBFUHPBSOMW-UHFFFAOYSA-N -1 0 362.390 -0.554 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)S(=O)(=O)CC1CCOCC1 ZINC000828096047 603108026 /nfs/dbraw/zinc/10/80/26/603108026.db2.gz UIGFWOQGXNMGRJ-UHFFFAOYSA-N -1 0 363.436 -0.503 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)CNC(=O)c1cccnc1 ZINC000828096139 604732853 /nfs/dbraw/zinc/73/28/53/604732853.db2.gz XKMMOWHSMLQDNS-UHFFFAOYSA-N -1 0 363.374 -0.908 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)CCOC1CCOCC1 ZINC000828096189 603888929 /nfs/dbraw/zinc/88/89/29/603888929.db2.gz YZSUXZGRTYWCBZ-UHFFFAOYSA-N -1 0 357.407 -0.147 20 0 FBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H](NC(=O)[O-])C(C)(C)C ZINC000828101835 605632773 /nfs/dbraw/zinc/63/27/73/605632773.db2.gz ADDJDZZHYRZWJX-GXSJLCMTSA-N -1 0 363.436 -0.570 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H](NC(=O)[O-])C(C)(C)C ZINC000828101836 605633207 /nfs/dbraw/zinc/63/32/07/605633207.db2.gz ADDJDZZHYRZWJX-MWLCHTKSSA-N -1 0 363.436 -0.570 20 0 FBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000828101872 603882535 /nfs/dbraw/zinc/88/25/35/603882535.db2.gz BKUWQLPARCJXDV-HZMBPMFUSA-N -1 0 361.420 -0.862 20 0 FBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000828101873 603882551 /nfs/dbraw/zinc/88/25/51/603882551.db2.gz BKUWQLPARCJXDV-IINYFYTJSA-N -1 0 361.420 -0.862 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000828101874 603882758 /nfs/dbraw/zinc/88/27/58/603882758.db2.gz BKUWQLPARCJXDV-QMTHXVAHSA-N -1 0 361.420 -0.862 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000828101875 603882632 /nfs/dbraw/zinc/88/26/32/603882632.db2.gz BKUWQLPARCJXDV-YGRLFVJLSA-N -1 0 361.420 -0.862 20 0 FBADRM CN(CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000828102100 603923693 /nfs/dbraw/zinc/92/36/93/603923693.db2.gz FYGFJDUNGHLPTK-PSEXLTFBSA-N -1 0 359.448 -0.105 20 0 FBADRM CN(CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000828102101 603923664 /nfs/dbraw/zinc/92/36/64/603923664.db2.gz FYGFJDUNGHLPTK-WVMKXHBISA-N -1 0 359.448 -0.105 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000828102270 603329838 /nfs/dbraw/zinc/32/98/38/603329838.db2.gz ICWLVPXXBBLZQD-GHMZBOCLSA-N -1 0 361.420 -0.719 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000828102271 603329607 /nfs/dbraw/zinc/32/96/07/603329607.db2.gz ICWLVPXXBBLZQD-MNOVXSKESA-N -1 0 361.420 -0.719 20 0 FBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000828102272 603329815 /nfs/dbraw/zinc/32/98/15/603329815.db2.gz ICWLVPXXBBLZQD-QWRGUYRKSA-N -1 0 361.420 -0.719 20 0 FBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000828102273 603329570 /nfs/dbraw/zinc/32/95/70/603329570.db2.gz ICWLVPXXBBLZQD-WDEREUQCSA-N -1 0 361.420 -0.719 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000828102280 603477385 /nfs/dbraw/zinc/47/73/85/603477385.db2.gz IHWXGLZIBOLVBI-GARJFASQSA-N -1 0 361.420 -0.816 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000828102281 603477121 /nfs/dbraw/zinc/47/71/21/603477121.db2.gz IHWXGLZIBOLVBI-GMTAPVOTSA-N -1 0 361.420 -0.816 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000828102282 603477195 /nfs/dbraw/zinc/47/71/95/603477195.db2.gz IHWXGLZIBOLVBI-HBNTYKKESA-N -1 0 361.420 -0.816 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000828102283 603477085 /nfs/dbraw/zinc/47/70/85/603477085.db2.gz IHWXGLZIBOLVBI-OUAUKWLOSA-N -1 0 361.420 -0.816 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CN(CC1CC1)C(=O)[O-] ZINC000828102393 603329671 /nfs/dbraw/zinc/32/96/71/603329671.db2.gz JRZCNRGUSFGERE-LLVKDONJSA-N -1 0 361.420 -0.862 20 0 FBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CN(CC1CC1)C(=O)[O-] ZINC000828102396 603329916 /nfs/dbraw/zinc/32/99/16/603329916.db2.gz JRZCNRGUSFGERE-NSHDSACASA-N -1 0 361.420 -0.862 20 0 FBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CC1(NC(=O)[O-])CCC1 ZINC000828102583 604096217 /nfs/dbraw/zinc/09/62/17/604096217.db2.gz MWWOPOYENVSTBV-JTQLQIEISA-N -1 0 361.420 -0.672 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CC1(NC(=O)[O-])CCC1 ZINC000828102584 604096033 /nfs/dbraw/zinc/09/60/33/604096033.db2.gz MWWOPOYENVSTBV-SNVBAGLBSA-N -1 0 361.420 -0.672 20 0 FBADRM CN(CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828107925 603488314 /nfs/dbraw/zinc/48/83/14/603488314.db2.gz IGQFBGNOAZKBRM-LLVKDONJSA-N -1 0 350.441 -0.932 20 0 FBADRM CN(CC(=O)NCCCN(C)S(C)(=O)=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000828107927 603488163 /nfs/dbraw/zinc/48/81/63/603488163.db2.gz IGQFBGNOAZKBRM-NSHDSACASA-N -1 0 350.441 -0.932 20 0 FBADRM CN(CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828107955 603536474 /nfs/dbraw/zinc/53/64/74/603536474.db2.gz JBMMEDIIDOIHNJ-CYBMUJFWSA-N -1 0 364.402 -0.149 20 0 FBADRM CN(CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828107957 603536305 /nfs/dbraw/zinc/53/63/05/603536305.db2.gz JBMMEDIIDOIHNJ-ZDUSSCGKSA-N -1 0 364.402 -0.149 20 0 FBADRM C[C@]1(O)CCN(C(=O)C(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)C1 ZINC000828110667 601369398 /nfs/dbraw/zinc/36/93/98/601369398.db2.gz PISVCVDGQBYUSE-KRWDZBQOSA-N -1 0 363.370 -0.648 20 0 FBADRM C[C@@]1(O)CCN(C(=O)C(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)C1 ZINC000828110668 601369477 /nfs/dbraw/zinc/36/94/77/601369477.db2.gz PISVCVDGQBYUSE-QGZVFWFLSA-N -1 0 363.370 -0.648 20 0 FBADRM C[C@]1(O)CCN(C(=O)C(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)C1 ZINC000828110720 601369458 /nfs/dbraw/zinc/36/94/58/601369458.db2.gz RLJQNIXCYLEMFN-KRWDZBQOSA-N -1 0 363.370 -0.187 20 0 FBADRM C[C@@]1(O)CCN(C(=O)C(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)C1 ZINC000828110721 601369575 /nfs/dbraw/zinc/36/95/75/601369575.db2.gz RLJQNIXCYLEMFN-QGZVFWFLSA-N -1 0 363.370 -0.187 20 0 FBADRM CC1(O)CCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)CC1 ZINC000828110749 602041236 /nfs/dbraw/zinc/04/12/36/602041236.db2.gz SQBHDAIIBFZJQM-UHFFFAOYSA-N -1 0 363.370 -0.187 20 0 FBADRM CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828115115 603531188 /nfs/dbraw/zinc/53/11/88/603531188.db2.gz QPZYFIGJLNQDFY-LLVKDONJSA-N -1 0 356.404 -0.043 20 0 FBADRM CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828115117 603531831 /nfs/dbraw/zinc/53/18/31/603531831.db2.gz QPZYFIGJLNQDFY-NSHDSACASA-N -1 0 356.404 -0.043 20 0 FBADRM C[C@@]1(c2ccc(CNC(=O)Cn3cc(C(=O)[O-])nn3)cc2)NC(=O)NC1=O ZINC000828115550 601280685 /nfs/dbraw/zinc/28/06/85/601280685.db2.gz ABLXFVZQGIMVOD-INIZCTEOSA-N -1 0 372.341 -0.653 20 0 FBADRM C[C@]1(c2ccc(CNC(=O)Cn3cc(C(=O)[O-])nn3)cc2)NC(=O)NC1=O ZINC000828115551 601280575 /nfs/dbraw/zinc/28/05/75/601280575.db2.gz ABLXFVZQGIMVOD-MRXNPFEDSA-N -1 0 372.341 -0.653 20 0 FBADRM C[C@@]1(c2ccc(C(=O)OCC(=O)NCCC(=O)[O-])cc2)NC(=O)NC1=O ZINC000828115993 601589198 /nfs/dbraw/zinc/58/91/98/601589198.db2.gz SSHVZQVYWSGLMI-INIZCTEOSA-N -1 0 363.326 -0.511 20 0 FBADRM C[C@]1(c2ccc(C(=O)OCC(=O)NCCC(=O)[O-])cc2)NC(=O)NC1=O ZINC000828115994 601589218 /nfs/dbraw/zinc/58/92/18/601589218.db2.gz SSHVZQVYWSGLMI-MRXNPFEDSA-N -1 0 363.326 -0.511 20 0 FBADRM C[C@@]1(c2ccc(C(=O)Nc3n[nH]c(CC(=O)[O-])n3)cc2)NC(=O)NC1=O ZINC000828116028 601451599 /nfs/dbraw/zinc/45/15/99/601451599.db2.gz UXHVMYWOJMNKOD-HNNXBMFYSA-N -1 0 358.314 -0.261 20 0 FBADRM C[C@]1(c2ccc(C(=O)Nc3n[nH]c(CC(=O)[O-])n3)cc2)NC(=O)NC1=O ZINC000828116029 601451640 /nfs/dbraw/zinc/45/16/40/601451640.db2.gz UXHVMYWOJMNKOD-OAHLLOKOSA-N -1 0 358.314 -0.261 20 0 FBADRM C[C@]1(c2ccc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])cc2)NC(=O)NC1=O ZINC000828116071 601448979 /nfs/dbraw/zinc/44/89/79/601448979.db2.gz WQJXFVMPGUUNLF-APPDUMDISA-N -1 0 374.353 -0.844 20 0 FBADRM C[C@@]1(c2ccc(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])cc2)NC(=O)NC1=O ZINC000828116072 601448965 /nfs/dbraw/zinc/44/89/65/601448965.db2.gz WQJXFVMPGUUNLF-DIFFPNOSSA-N -1 0 374.353 -0.844 20 0 FBADRM C[C@@]1(c2ccc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])cc2)NC(=O)NC1=O ZINC000828116073 601449163 /nfs/dbraw/zinc/44/91/63/601449163.db2.gz WQJXFVMPGUUNLF-GTNSWQLSSA-N -1 0 374.353 -0.844 20 0 FBADRM C[C@]1(c2ccc(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])cc2)NC(=O)NC1=O ZINC000828116074 601448958 /nfs/dbraw/zinc/44/89/58/601448958.db2.gz WQJXFVMPGUUNLF-PIGZYNQJSA-N -1 0 374.353 -0.844 20 0 FBADRM CN(CC(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1)C(=O)C1CC1 ZINC000828120433 603961430 /nfs/dbraw/zinc/96/14/30/603961430.db2.gz NPWZGKZBTQDPCK-UHFFFAOYSA-N -1 0 351.367 -0.588 20 0 FBADRM CN(CC(=O)OCC(=O)Nc1cc(-n2cnnn2)ccc1F)C(=O)[O-] ZINC000828120506 604651347 /nfs/dbraw/zinc/65/13/47/604651347.db2.gz POHVKLRQGBLPQC-UHFFFAOYSA-N -1 0 352.282 -0.107 20 0 FBADRM CN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828120601 603537473 /nfs/dbraw/zinc/53/74/73/603537473.db2.gz SICRCLLBLHAEHC-LLVKDONJSA-N -1 0 356.404 -0.043 20 0 FBADRM CN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828120603 603538052 /nfs/dbraw/zinc/53/80/52/603538052.db2.gz SICRCLLBLHAEHC-NSHDSACASA-N -1 0 356.404 -0.043 20 0 FBADRM CN(CC(=O)OCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C(=O)[O-] ZINC000828120885 604083805 /nfs/dbraw/zinc/08/38/05/604083805.db2.gz ZRGOJOBPLRNOHU-UHFFFAOYSA-N -1 0 372.422 -0.802 20 0 FBADRM C[C@]1(c2cccc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])c2)NC(=O)NC1=O ZINC000828122728 604278931 /nfs/dbraw/zinc/27/89/31/604278931.db2.gz RAAIBFHLMHTATG-APPDUMDISA-N -1 0 374.353 -0.844 20 0 FBADRM C[C@@]1(c2cccc(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])c2)NC(=O)NC1=O ZINC000828122729 604278901 /nfs/dbraw/zinc/27/89/01/604278901.db2.gz RAAIBFHLMHTATG-DIFFPNOSSA-N -1 0 374.353 -0.844 20 0 FBADRM C[C@@]1(c2cccc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])c2)NC(=O)NC1=O ZINC000828122730 604278680 /nfs/dbraw/zinc/27/86/80/604278680.db2.gz RAAIBFHLMHTATG-GTNSWQLSSA-N -1 0 374.353 -0.844 20 0 FBADRM C[C@]1(c2cccc(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])c2)NC(=O)NC1=O ZINC000828122732 604279006 /nfs/dbraw/zinc/27/90/06/604279006.db2.gz RAAIBFHLMHTATG-PIGZYNQJSA-N -1 0 374.353 -0.844 20 0 FBADRM C[C@@]1(c2cccc(NC(=O)Cn3cc(C(=O)[O-])nn3)c2)NC(=O)NC1=O ZINC000828123087 601196622 /nfs/dbraw/zinc/19/66/22/601196622.db2.gz SHFGOKVJYVKYQT-HNNXBMFYSA-N -1 0 358.314 -0.330 20 0 FBADRM C[C@]1(c2cccc(NC(=O)Cn3cc(C(=O)[O-])nn3)c2)NC(=O)NC1=O ZINC000828123089 601196503 /nfs/dbraw/zinc/19/65/03/601196503.db2.gz SHFGOKVJYVKYQT-OAHLLOKOSA-N -1 0 358.314 -0.330 20 0 FBADRM C[C@@]1(c2ccc(NC(=O)Cn3cc(C(=O)[O-])nn3)cc2)NC(=O)NC1=O ZINC000828123503 601275959 /nfs/dbraw/zinc/27/59/59/601275959.db2.gz VWESQEDAUBNFGE-HNNXBMFYSA-N -1 0 358.314 -0.330 20 0 FBADRM C[C@]1(c2ccc(NC(=O)Cn3cc(C(=O)[O-])nn3)cc2)NC(=O)NC1=O ZINC000828123505 601276106 /nfs/dbraw/zinc/27/61/06/601276106.db2.gz VWESQEDAUBNFGE-OAHLLOKOSA-N -1 0 358.314 -0.330 20 0 FBADRM C[C@@]1(c2cccc(C(=O)Nc3n[nH]c(CC(=O)[O-])n3)c2)NC(=O)NC1=O ZINC000828124047 604317159 /nfs/dbraw/zinc/31/71/59/604317159.db2.gz YSHSWOYQZQZIHU-HNNXBMFYSA-N -1 0 358.314 -0.261 20 0 FBADRM C[C@]1(c2cccc(C(=O)Nc3n[nH]c(CC(=O)[O-])n3)c2)NC(=O)NC1=O ZINC000828124048 604317143 /nfs/dbraw/zinc/31/71/43/604317143.db2.gz YSHSWOYQZQZIHU-OAHLLOKOSA-N -1 0 358.314 -0.261 20 0 FBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000828125349 603616716 /nfs/dbraw/zinc/61/67/16/603616716.db2.gz IZUBPGWCVQOKHM-UHFFFAOYSA-N -1 0 354.367 -0.941 20 0 FBADRM CN(CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828125730 603537630 /nfs/dbraw/zinc/53/76/30/603537630.db2.gz QCVCTHKURLFQHF-SECBINFHSA-N -1 0 351.363 -0.267 20 0 FBADRM CN(CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000828125731 603538091 /nfs/dbraw/zinc/53/80/91/603538091.db2.gz QCVCTHKURLFQHF-VIFPVBQESA-N -1 0 351.363 -0.267 20 0 FBADRM CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)CC(C)(C)CNC(=O)[O-] ZINC000828126085 603629390 /nfs/dbraw/zinc/62/93/90/603629390.db2.gz XJGYHOUHMMSZTB-UHFFFAOYSA-N -1 0 355.395 -0.926 20 0 FBADRM C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCOC[C@@H]2C(=O)[O-])C1=O ZINC000828127574 601605778 /nfs/dbraw/zinc/60/57/78/601605778.db2.gz GAJHSZJIPBZBDV-PXAZEXFGSA-N -1 0 361.354 -0.234 20 0 FBADRM C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCOC[C@H]2C(=O)[O-])C1=O ZINC000828127576 601605904 /nfs/dbraw/zinc/60/59/04/601605904.db2.gz GAJHSZJIPBZBDV-SJCJKPOMSA-N -1 0 361.354 -0.234 20 0 FBADRM C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCOC[C@@H]2C(=O)[O-])C1=O ZINC000828127578 601605797 /nfs/dbraw/zinc/60/57/97/601605797.db2.gz GAJHSZJIPBZBDV-SJKOYZFVSA-N -1 0 361.354 -0.234 20 0 FBADRM C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCOC[C@H]2C(=O)[O-])C1=O ZINC000828127581 601605785 /nfs/dbraw/zinc/60/57/85/601605785.db2.gz GAJHSZJIPBZBDV-YVEFUNNKSA-N -1 0 361.354 -0.234 20 0 FBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000828128618 603506979 /nfs/dbraw/zinc/50/69/79/603506979.db2.gz HWYKVUMPLKXHSS-SREVYHEPSA-N -1 0 352.391 -0.151 20 0 FBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000828128619 603506561 /nfs/dbraw/zinc/50/65/61/603506561.db2.gz HWYKVUMPLKXHSS-VOTSOKGWSA-N -1 0 352.391 -0.151 20 0 FBADRM C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@]2(C(=O)[O-])CCOC2)C1=O ZINC000828128659 601726867 /nfs/dbraw/zinc/72/68/67/601726867.db2.gz UQIWOPGROALINH-DLBZAZTESA-N -1 0 361.354 -0.187 20 0 FBADRM C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@]2(C(=O)[O-])CCOC2)C1=O ZINC000828128660 601726866 /nfs/dbraw/zinc/72/68/66/601726866.db2.gz UQIWOPGROALINH-IAGOWNOFSA-N -1 0 361.354 -0.187 20 0 FBADRM C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@]2(C(=O)[O-])CCOC2)C1=O ZINC000828128661 601726852 /nfs/dbraw/zinc/72/68/52/601726852.db2.gz UQIWOPGROALINH-IRXDYDNUSA-N -1 0 361.354 -0.187 20 0 FBADRM C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@]2(C(=O)[O-])CCOC2)C1=O ZINC000828128662 601726919 /nfs/dbraw/zinc/72/69/19/601726919.db2.gz UQIWOPGROALINH-SJORKVTESA-N -1 0 361.354 -0.187 20 0 FBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000828128767 604327068 /nfs/dbraw/zinc/32/70/68/604327068.db2.gz IWCRHVOIMUEQDV-UHFFFAOYSA-N -1 0 364.468 -0.684 20 0 FBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000828128876 603509723 /nfs/dbraw/zinc/50/97/23/603509723.db2.gz KVJMITRMIWADTG-UHFFFAOYSA-N -1 0 361.424 -0.327 20 0 FBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000828129092 603544893 /nfs/dbraw/zinc/54/48/93/603544893.db2.gz MFYIWPVGFDJQIO-UHFFFAOYSA-N -1 0 361.424 -0.549 20 0 FBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000828130017 603511402 /nfs/dbraw/zinc/51/14/02/603511402.db2.gz XPGSHEZDGZQVIH-UHFFFAOYSA-N -1 0 350.441 -0.346 20 0 FBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000828130034 603509471 /nfs/dbraw/zinc/50/94/71/603509471.db2.gz YDOFVJTXCAKLGE-UHFFFAOYSA-N -1 0 361.424 -0.549 20 0 FBADRM C[C@]12CCC(=O)N1[C@H](C(=O)OCCc1cn(CC(=O)[O-])nn1)CS2 ZINC000828134840 604694760 /nfs/dbraw/zinc/69/47/60/604694760.db2.gz KOFAPZJZEJRPDU-HZMBPMFUSA-N -1 0 354.388 -0.098 20 0 FBADRM C[C@@]12CCC(=O)N1[C@H](C(=O)OCCc1cn(CC(=O)[O-])nn1)CS2 ZINC000828134842 604694933 /nfs/dbraw/zinc/69/49/33/604694933.db2.gz KOFAPZJZEJRPDU-IINYFYTJSA-N -1 0 354.388 -0.098 20 0 FBADRM C[C@@]12CCC(=O)N1[C@@H](C(=O)OCCc1cn(CC(=O)[O-])nn1)CS2 ZINC000828134845 604694636 /nfs/dbraw/zinc/69/46/36/604694636.db2.gz KOFAPZJZEJRPDU-QMTHXVAHSA-N -1 0 354.388 -0.098 20 0 FBADRM C[C@]12CCC(=O)N1[C@@H](C(=O)OCCc1cn(CC(=O)[O-])nn1)CS2 ZINC000828134848 604694604 /nfs/dbraw/zinc/69/46/04/604694604.db2.gz KOFAPZJZEJRPDU-YGRLFVJLSA-N -1 0 354.388 -0.098 20 0 FBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000828137319 603462428 /nfs/dbraw/zinc/46/24/28/603462428.db2.gz HTNRIFSWIUBACW-UHFFFAOYSA-N -1 0 350.379 -0.118 20 0 FBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)NCCN1CCCS1(=O)=O ZINC000828137571 603525188 /nfs/dbraw/zinc/52/51/88/603525188.db2.gz KNUQOHNEOMDFGM-UHFFFAOYSA-N -1 0 350.441 -0.043 20 0 FBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000828142015 600784453 /nfs/dbraw/zinc/78/44/53/600784453.db2.gz DSNDTEAFIPPAIW-BDAKNGLRSA-N -1 0 350.418 -0.081 20 0 FBADRM C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CCS1(=O)=O ZINC000828142018 600784497 /nfs/dbraw/zinc/78/44/97/600784497.db2.gz DSNDTEAFIPPAIW-DTWKUNHWSA-N -1 0 350.418 -0.081 20 0 FBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000828142022 600784459 /nfs/dbraw/zinc/78/44/59/600784459.db2.gz DSNDTEAFIPPAIW-IUCAKERBSA-N -1 0 350.418 -0.081 20 0 FBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000828142026 600784392 /nfs/dbraw/zinc/78/43/92/600784392.db2.gz DSNDTEAFIPPAIW-RKDXNWHRSA-N -1 0 350.418 -0.081 20 0 FBADRM C[C@@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000828143977 600754130 /nfs/dbraw/zinc/75/41/30/600754130.db2.gz TTZSNRCXJGIYFH-BDAKNGLRSA-N -1 0 351.406 -0.836 20 0 FBADRM C[C@@H]1[C@H](C)N(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CCS1(=O)=O ZINC000828143978 600754128 /nfs/dbraw/zinc/75/41/28/600754128.db2.gz TTZSNRCXJGIYFH-DTWKUNHWSA-N -1 0 351.406 -0.836 20 0 FBADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000828143979 600754053 /nfs/dbraw/zinc/75/40/53/600754053.db2.gz TTZSNRCXJGIYFH-IUCAKERBSA-N -1 0 351.406 -0.836 20 0 FBADRM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000828143981 600754121 /nfs/dbraw/zinc/75/41/21/600754121.db2.gz TTZSNRCXJGIYFH-RKDXNWHRSA-N -1 0 351.406 -0.836 20 0 FBADRM C[C@@H]1C(=O)Nc2cc(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])ccc2N1C ZINC000828144523 601394635 /nfs/dbraw/zinc/39/46/35/601394635.db2.gz XESJJJIFNCBUQO-NOZJJQNGSA-N -1 0 360.370 -0.121 20 0 FBADRM C[C@@H]1C(=O)Nc2cc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])ccc2N1C ZINC000828144524 601394658 /nfs/dbraw/zinc/39/46/58/601394658.db2.gz XESJJJIFNCBUQO-RNCFNFMXSA-N -1 0 360.370 -0.121 20 0 FBADRM C[C@H]1C(=O)Nc2cc(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])ccc2N1C ZINC000828144525 601394807 /nfs/dbraw/zinc/39/48/07/601394807.db2.gz XESJJJIFNCBUQO-TVQRCGJNSA-N -1 0 360.370 -0.121 20 0 FBADRM C[C@H]1C(=O)Nc2cc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])ccc2N1C ZINC000828144526 601394634 /nfs/dbraw/zinc/39/46/34/601394634.db2.gz XESJJJIFNCBUQO-ZANVPECISA-N -1 0 360.370 -0.121 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)c1csc(CNC(=O)[O-])n1 ZINC000828160901 603561930 /nfs/dbraw/zinc/56/19/30/603561930.db2.gz BPKXYFNNZAYTMJ-JTQLQIEISA-N -1 0 358.420 -0.324 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)c1csc(CNC(=O)[O-])n1 ZINC000828160902 603561827 /nfs/dbraw/zinc/56/18/27/603561827.db2.gz BPKXYFNNZAYTMJ-SNVBAGLBSA-N -1 0 358.420 -0.324 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000828160994 603628975 /nfs/dbraw/zinc/62/89/75/603628975.db2.gz CTOHAXQBHFMYFE-AWEZNQCLSA-N -1 0 358.439 -0.289 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000828160995 603629587 /nfs/dbraw/zinc/62/95/87/603629587.db2.gz CTOHAXQBHFMYFE-CQSZACIVSA-N -1 0 358.439 -0.289 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000828161112 603640085 /nfs/dbraw/zinc/64/00/85/603640085.db2.gz FABQFKVNGHBAPG-DKUMPPAJSA-N -1 0 370.450 -0.006 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000828161114 603640197 /nfs/dbraw/zinc/64/01/97/603640197.db2.gz FABQFKVNGHBAPG-JALIKCBVSA-N -1 0 370.450 -0.006 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@H]1CCCCN(C(=O)[O-])C1 ZINC000828161448 603634538 /nfs/dbraw/zinc/63/45/38/603634538.db2.gz GDSCQXIYTDQTRJ-KBPBESRZSA-N -1 0 358.439 -0.147 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000828161451 603634633 /nfs/dbraw/zinc/63/46/33/603634633.db2.gz GDSCQXIYTDQTRJ-KGLIPLIRSA-N -1 0 358.439 -0.147 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)N[C@H]1CCCCN(C(=O)[O-])C1 ZINC000828161454 603634635 /nfs/dbraw/zinc/63/46/35/603634635.db2.gz GDSCQXIYTDQTRJ-UONOGXRCSA-N -1 0 358.439 -0.147 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000828161457 603634227 /nfs/dbraw/zinc/63/42/27/603634227.db2.gz GDSCQXIYTDQTRJ-ZIAGYGMSSA-N -1 0 358.439 -0.147 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828161796 605775350 /nfs/dbraw/zinc/77/53/50/605775350.db2.gz JPNZTPGNCBUYOH-ZIAGYGMSSA-N -1 0 359.423 -0.703 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)NC[C@@H]1CCCCN1C(=O)[O-] ZINC000828162052 603627584 /nfs/dbraw/zinc/62/75/84/603627584.db2.gz KTYSRMZEXHPVAY-KBPBESRZSA-N -1 0 358.439 -0.147 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)NC[C@H]1CCCCN1C(=O)[O-] ZINC000828162056 603627295 /nfs/dbraw/zinc/62/72/95/603627295.db2.gz KTYSRMZEXHPVAY-KGLIPLIRSA-N -1 0 358.439 -0.147 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)NC[C@@H]1CCCCN1C(=O)[O-] ZINC000828162059 603627226 /nfs/dbraw/zinc/62/72/26/603627226.db2.gz KTYSRMZEXHPVAY-UONOGXRCSA-N -1 0 358.439 -0.147 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)NC[C@H]1CCCCN1C(=O)[O-] ZINC000828162063 603627713 /nfs/dbraw/zinc/62/77/13/603627713.db2.gz KTYSRMZEXHPVAY-ZIAGYGMSSA-N -1 0 358.439 -0.147 20 0 FBADRM CN(CC(F)(F)F)C(=O)CN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O ZINC000828162115 605350008 /nfs/dbraw/zinc/35/00/08/605350008.db2.gz LFGCVSMHZBSVDA-LLVKDONJSA-N -1 0 352.269 -0.319 20 0 FBADRM CN(CC(F)(F)F)C(=O)CN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O ZINC000828162117 605349769 /nfs/dbraw/zinc/34/97/69/605349769.db2.gz LFGCVSMHZBSVDA-NSHDSACASA-N -1 0 352.269 -0.319 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000828162269 603640109 /nfs/dbraw/zinc/64/01/09/603640109.db2.gz MFWZPWKDOXQIOS-HZSPNIEDSA-N -1 0 358.439 -0.243 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000828162271 603639904 /nfs/dbraw/zinc/63/99/04/603639904.db2.gz MFWZPWKDOXQIOS-IHRRRGAJSA-N -1 0 358.439 -0.243 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000828162272 603639968 /nfs/dbraw/zinc/63/99/68/603639968.db2.gz MFWZPWKDOXQIOS-MELADBBJSA-N -1 0 358.439 -0.243 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000828162274 603639996 /nfs/dbraw/zinc/63/99/96/603639996.db2.gz MFWZPWKDOXQIOS-RDBSUJKOSA-N -1 0 358.439 -0.243 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000828162667 603561319 /nfs/dbraw/zinc/56/13/19/603561319.db2.gz QFQNKRPLIVCSKU-AWEZNQCLSA-N -1 0 372.466 -0.788 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000828162668 603561426 /nfs/dbraw/zinc/56/14/26/603561426.db2.gz QFQNKRPLIVCSKU-CQSZACIVSA-N -1 0 372.466 -0.788 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000828162897 603638590 /nfs/dbraw/zinc/63/85/90/603638590.db2.gz SCMNRMOUWFJYGQ-JXQTWKCFSA-N -1 0 358.439 -0.100 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000828162898 603638086 /nfs/dbraw/zinc/63/80/86/603638086.db2.gz SCMNRMOUWFJYGQ-RUXDESIVSA-N -1 0 358.439 -0.100 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000828162900 603632902 /nfs/dbraw/zinc/63/29/02/603632902.db2.gz SDVVODUWGQYBBF-KBPBESRZSA-N -1 0 358.439 -0.289 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000828162901 603632913 /nfs/dbraw/zinc/63/29/13/603632913.db2.gz SDVVODUWGQYBBF-KGLIPLIRSA-N -1 0 358.439 -0.289 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000828162902 603633019 /nfs/dbraw/zinc/63/30/19/603633019.db2.gz SDVVODUWGQYBBF-UONOGXRCSA-N -1 0 358.439 -0.289 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000828162903 603632638 /nfs/dbraw/zinc/63/26/38/603632638.db2.gz SDVVODUWGQYBBF-ZIAGYGMSSA-N -1 0 358.439 -0.289 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828162937 603629636 /nfs/dbraw/zinc/62/96/36/603629636.db2.gz TULHUDUTLADSKH-KBPBESRZSA-N -1 0 358.439 -0.289 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000828162938 603629592 /nfs/dbraw/zinc/62/95/92/603629592.db2.gz TULHUDUTLADSKH-KGLIPLIRSA-N -1 0 358.439 -0.289 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828162939 603629388 /nfs/dbraw/zinc/62/93/88/603629388.db2.gz TULHUDUTLADSKH-UONOGXRCSA-N -1 0 358.439 -0.289 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000828162940 603629052 /nfs/dbraw/zinc/62/90/52/603629052.db2.gz TULHUDUTLADSKH-ZIAGYGMSSA-N -1 0 358.439 -0.289 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000828162997 605440579 /nfs/dbraw/zinc/44/05/79/605440579.db2.gz UZSBELCLUIBANH-CHWSQXEVSA-N -1 0 361.464 -0.377 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000828162998 605441291 /nfs/dbraw/zinc/44/12/91/605441291.db2.gz UZSBELCLUIBANH-OLZOCXBDSA-N -1 0 361.464 -0.377 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000828162999 605441187 /nfs/dbraw/zinc/44/11/87/605441187.db2.gz UZSBELCLUIBANH-QWHCGFSZSA-N -1 0 361.464 -0.377 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000828163000 605440539 /nfs/dbraw/zinc/44/05/39/605440539.db2.gz UZSBELCLUIBANH-STQMWFEESA-N -1 0 361.464 -0.377 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000828163122 603561722 /nfs/dbraw/zinc/56/17/22/603561722.db2.gz XWIYQHYJLDRFGA-KBPBESRZSA-N -1 0 359.423 -0.703 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000828163123 603561571 /nfs/dbraw/zinc/56/15/71/603561571.db2.gz XWIYQHYJLDRFGA-KGLIPLIRSA-N -1 0 359.423 -0.703 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000828163124 603561854 /nfs/dbraw/zinc/56/18/54/603561854.db2.gz XWIYQHYJLDRFGA-UONOGXRCSA-N -1 0 359.423 -0.703 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000828163125 603561944 /nfs/dbraw/zinc/56/19/44/603561944.db2.gz XWIYQHYJLDRFGA-ZIAGYGMSSA-N -1 0 359.423 -0.703 20 0 FBADRM CN(CC(F)F)C1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000828163204 603861406 /nfs/dbraw/zinc/86/14/06/603861406.db2.gz ZOQALRQJYSSAGN-UHFFFAOYSA-N -1 0 362.377 -0.004 20 0 FBADRM CN(CC1CC1)C(=O)CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828168251 603917929 /nfs/dbraw/zinc/91/79/29/603917929.db2.gz GHIQSCMUVRRQBX-UHFFFAOYSA-N -1 0 374.463 -0.836 20 0 FBADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC000828168927 601807845 /nfs/dbraw/zinc/80/78/45/601807845.db2.gz RRTVMUUYMGKDGS-GHMZBOCLSA-N -1 0 368.477 -0.169 20 0 FBADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC000828168929 601807888 /nfs/dbraw/zinc/80/78/88/601807888.db2.gz RRTVMUUYMGKDGS-PHIMTYICSA-N -1 0 368.477 -0.169 20 0 FBADRM C[C@H]1C[C@H](C)CN(S(=O)(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC000828168931 601807879 /nfs/dbraw/zinc/80/78/79/601807879.db2.gz RRTVMUUYMGKDGS-QWRGUYRKSA-N -1 0 368.477 -0.169 20 0 FBADRM CN(C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)C1)C(=O)[O-] ZINC000828173862 603523884 /nfs/dbraw/zinc/52/38/84/603523884.db2.gz ARYHZYJLIUGVLS-LLVKDONJSA-N -1 0 373.435 -0.453 20 0 FBADRM CN(C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)C1)C(=O)[O-] ZINC000828173864 603524240 /nfs/dbraw/zinc/52/42/40/603524240.db2.gz ARYHZYJLIUGVLS-NSHDSACASA-N -1 0 373.435 -0.453 20 0 FBADRM CCN(OC)C(=O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000828174317 661125020 /nfs/dbraw/zinc/12/50/20/661125020.db2.gz PGQNXDQVZZOMCF-UHFFFAOYSA-N -1 0 357.348 -0.876 20 0 FBADRM CN(C[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C1)C(=O)[O-] ZINC000828176372 603748319 /nfs/dbraw/zinc/74/83/19/603748319.db2.gz PDSJQCHOGCMKHL-JTQLQIEISA-N -1 0 366.378 -0.845 20 0 FBADRM CN(C[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C1)C(=O)[O-] ZINC000828176376 603748448 /nfs/dbraw/zinc/74/84/48/603748448.db2.gz PDSJQCHOGCMKHL-SNVBAGLBSA-N -1 0 366.378 -0.845 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C(=O)N1c1cnn(C)c1 ZINC000828177713 601779093 /nfs/dbraw/zinc/77/90/93/601779093.db2.gz SUWPAZXAEKJJNG-KGYLQXTDSA-N -1 0 365.390 -0.201 20 0 FBADRM C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](CC(=O)[O-])C2)C(=O)N1c1cnn(C)c1 ZINC000828177715 601779163 /nfs/dbraw/zinc/77/91/63/601779163.db2.gz SUWPAZXAEKJJNG-RAIGVLPGSA-N -1 0 365.390 -0.201 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](CC(=O)[O-])C2)C(=O)N1c1cnn(C)c1 ZINC000828177716 601778978 /nfs/dbraw/zinc/77/89/78/601778978.db2.gz SUWPAZXAEKJJNG-RTXFEEFZSA-N -1 0 365.390 -0.201 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C(=O)N1c1cnn(C)c1 ZINC000828177718 601779069 /nfs/dbraw/zinc/77/90/69/601779069.db2.gz SUWPAZXAEKJJNG-WXHSDQCUSA-N -1 0 365.390 -0.201 20 0 FBADRM C[C@H]1C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000828183640 601264245 /nfs/dbraw/zinc/26/42/45/601264245.db2.gz KCJLQIQHGRBFKS-GXSJLCMTSA-N -1 0 359.408 -0.845 20 0 FBADRM C[C@@H]1C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000828183641 601264274 /nfs/dbraw/zinc/26/42/74/601264274.db2.gz KCJLQIQHGRBFKS-KOLCDFICSA-N -1 0 359.408 -0.845 20 0 FBADRM C[C@@H]1C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000828183742 601264393 /nfs/dbraw/zinc/26/43/93/601264393.db2.gz KCJLQIQHGRBFKS-MWLCHTKSSA-N -1 0 359.408 -0.845 20 0 FBADRM C[C@H]1C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000828183743 601264399 /nfs/dbraw/zinc/26/43/99/601264399.db2.gz KCJLQIQHGRBFKS-ONGXEEELSA-N -1 0 359.408 -0.845 20 0 FBADRM C[C@H]1C[C@@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C(=O)N1c1cnn(C)c1 ZINC000828183854 600798688 /nfs/dbraw/zinc/79/86/88/600798688.db2.gz LHJPVACTELWLSV-GZMMTYOYSA-N -1 0 367.387 -0.081 20 0 FBADRM C[C@@H]1C[C@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C(=O)N1c1cnn(C)c1 ZINC000828183855 600798571 /nfs/dbraw/zinc/79/85/71/600798571.db2.gz LHJPVACTELWLSV-KCJUWKMLSA-N -1 0 367.387 -0.081 20 0 FBADRM C[C@H]1C[C@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C(=O)N1c1cnn(C)c1 ZINC000828183856 600798705 /nfs/dbraw/zinc/79/87/05/600798705.db2.gz LHJPVACTELWLSV-KWQFWETISA-N -1 0 367.387 -0.081 20 0 FBADRM C[C@@H]1C[C@@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C(=O)N1c1cnn(C)c1 ZINC000828183857 600798521 /nfs/dbraw/zinc/79/85/21/600798521.db2.gz LHJPVACTELWLSV-LDYMZIIASA-N -1 0 367.387 -0.081 20 0 FBADRM CN(C[C@@H]1CCCN1C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000828186622 603161335 /nfs/dbraw/zinc/16/13/35/603161335.db2.gz QMYHARPORFAXCI-DGMVEKRQSA-N -1 0 350.375 -0.302 20 0 FBADRM CN(C[C@H]1CCCN1C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000828186623 603161302 /nfs/dbraw/zinc/16/13/02/603161302.db2.gz QMYHARPORFAXCI-NNNHXZLVSA-N -1 0 350.375 -0.302 20 0 FBADRM CN(C[C@@H]1CCCN1C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000828186624 603161388 /nfs/dbraw/zinc/16/13/88/603161388.db2.gz QMYHARPORFAXCI-SYTKJHMZSA-N -1 0 350.375 -0.302 20 0 FBADRM CN(C[C@H]1CCCN1C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000828186625 603161323 /nfs/dbraw/zinc/16/13/23/603161323.db2.gz QMYHARPORFAXCI-ZHRWSRJISA-N -1 0 350.375 -0.302 20 0 FBADRM CN(C[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC000828191227 603153355 /nfs/dbraw/zinc/15/33/55/603153355.db2.gz FJOWSEQVDGECNK-JTQLQIEISA-N -1 0 359.408 -0.701 20 0 FBADRM CN(C[C@H]1CCCN1C(=O)CNS(=O)(=O)c1cnn(C)c1)C(=O)[O-] ZINC000828191229 603153339 /nfs/dbraw/zinc/15/33/39/603153339.db2.gz FJOWSEQVDGECNK-SNVBAGLBSA-N -1 0 359.408 -0.701 20 0 FBADRM CN(C[C@@H]1CCCN1C(=O)CCn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000828192155 603147468 /nfs/dbraw/zinc/14/74/68/603147468.db2.gz RKBFFFWIZHWVFK-JTQLQIEISA-N -1 0 359.408 -0.479 20 0 FBADRM CN(C[C@H]1CCCN1C(=O)CCn1cc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000828192156 603147335 /nfs/dbraw/zinc/14/73/35/603147335.db2.gz RKBFFFWIZHWVFK-SNVBAGLBSA-N -1 0 359.408 -0.479 20 0 FBADRM CN(C[C@H]1CCCN1C(=O)CN1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000828192263 604372688 /nfs/dbraw/zinc/37/26/88/604372688.db2.gz RMPVSROLVNDAGK-GFCCVEGCSA-N -1 0 362.452 -0.836 20 0 FBADRM CN(C[C@@H]1CCCN1C(=O)CN1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000828192264 604372715 /nfs/dbraw/zinc/37/27/15/604372715.db2.gz RMPVSROLVNDAGK-LBPRGKRZSA-N -1 0 362.452 -0.836 20 0 FBADRM CN(C[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000828192285 603541589 /nfs/dbraw/zinc/54/15/89/603541589.db2.gz RYECCGDGQYDICQ-JTQLQIEISA-N -1 0 359.408 -0.701 20 0 FBADRM CN(C[C@H]1CCCN1C(=O)CNS(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000828192286 603541614 /nfs/dbraw/zinc/54/16/14/603541614.db2.gz RYECCGDGQYDICQ-SNVBAGLBSA-N -1 0 359.408 -0.701 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N(C)CC(=O)N2CCN(C)CC2)cc1=O ZINC000828195667 661125311 /nfs/dbraw/zinc/12/53/11/661125311.db2.gz GXZNGRBMVXTCTL-UHFFFAOYSA-N -1 0 351.451 -0.393 20 0 FBADRM CN(C[C@H]1CCCN1C(=O)NCCOCCS(C)(=O)=O)C(=O)[O-] ZINC000828198390 603824900 /nfs/dbraw/zinc/82/49/00/603824900.db2.gz HKFUTINLTOKQMD-LLVKDONJSA-N -1 0 351.425 -0.169 20 0 FBADRM CN(C[C@@H]1CCCN1C(=O)NCCOCCS(C)(=O)=O)C(=O)[O-] ZINC000828198391 603824843 /nfs/dbraw/zinc/82/48/43/603824843.db2.gz HKFUTINLTOKQMD-NSHDSACASA-N -1 0 351.425 -0.169 20 0 FBADRM CN(C[C@H]1CCCN1CC(=O)NCCCN(C)S(C)(=O)=O)C(=O)[O-] ZINC000828223163 604104849 /nfs/dbraw/zinc/10/48/49/604104849.db2.gz IYNFGMRAJZAHTF-GFCCVEGCSA-N -1 0 364.468 -0.542 20 0 FBADRM CN(C[C@@H]1CCCN1CC(=O)NCCCN(C)S(C)(=O)=O)C(=O)[O-] ZINC000828223165 604104857 /nfs/dbraw/zinc/10/48/57/604104857.db2.gz IYNFGMRAJZAHTF-LBPRGKRZSA-N -1 0 364.468 -0.542 20 0 FBADRM CN(C[C@@H]1CCCN1S(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000828230714 603152281 /nfs/dbraw/zinc/15/22/81/603152281.db2.gz TWEDMFAFSROHCD-JTQLQIEISA-N -1 0 354.450 -0.032 20 0 FBADRM CN(C[C@H]1CCCN1S(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000828230715 603152409 /nfs/dbraw/zinc/15/24/09/603152409.db2.gz TWEDMFAFSROHCD-SNVBAGLBSA-N -1 0 354.450 -0.032 20 0 FBADRM CN(CC1CCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC1)C(=O)[O-] ZINC000828244891 603530383 /nfs/dbraw/zinc/53/03/83/603530383.db2.gz ARKNUWRQWIQCAB-UHFFFAOYSA-N -1 0 373.435 -0.453 20 0 FBADRM CN(C[C@H]1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)C1)C(=O)[O-] ZINC000828244955 604357508 /nfs/dbraw/zinc/35/75/08/604357508.db2.gz BPCPAVJTGATZPO-GFCCVEGCSA-N -1 0 362.452 -0.978 20 0 FBADRM CN(C[C@@H]1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)C1)C(=O)[O-] ZINC000828244956 604357867 /nfs/dbraw/zinc/35/78/67/604357867.db2.gz BPCPAVJTGATZPO-LBPRGKRZSA-N -1 0 362.452 -0.978 20 0 FBADRM CN(C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)C1)C(=O)[O-] ZINC000828246023 603530038 /nfs/dbraw/zinc/53/00/38/603530038.db2.gz OMXDKTSHQBEJOI-JTQLQIEISA-N -1 0 359.408 -0.843 20 0 FBADRM CN(C[C@H]1CCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)C1)C(=O)[O-] ZINC000828246024 603530090 /nfs/dbraw/zinc/53/00/90/603530090.db2.gz OMXDKTSHQBEJOI-SNVBAGLBSA-N -1 0 359.408 -0.843 20 0 FBADRM CN(C[C@H]1CCN(C(=O)NCCOCCS(C)(=O)=O)C1)C(=O)[O-] ZINC000828254053 604162653 /nfs/dbraw/zinc/16/26/53/604162653.db2.gz WBZTUYIQXMXGNU-LLVKDONJSA-N -1 0 351.425 -0.311 20 0 FBADRM CN(C[C@@H]1CCN(C(=O)NCCOCCS(C)(=O)=O)C1)C(=O)[O-] ZINC000828254054 604162252 /nfs/dbraw/zinc/16/22/52/604162252.db2.gz WBZTUYIQXMXGNU-NSHDSACASA-N -1 0 351.425 -0.311 20 0 FBADRM C[C@H]1CCCCN1S(=O)(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000828257452 601807854 /nfs/dbraw/zinc/80/78/54/601807854.db2.gz CNUWSNFNLMWXKC-JTQLQIEISA-N -1 0 354.450 -0.273 20 0 FBADRM C[C@@H]1CCCCN1S(=O)(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000828257453 601807833 /nfs/dbraw/zinc/80/78/33/601807833.db2.gz CNUWSNFNLMWXKC-SNVBAGLBSA-N -1 0 354.450 -0.273 20 0 FBADRM C[C@H]1CCCN(S(=O)(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC000828265796 601807983 /nfs/dbraw/zinc/80/79/83/601807983.db2.gz JOOSACHTBQTKAB-JTQLQIEISA-N -1 0 354.450 -0.415 20 0 FBADRM C[C@@H]1CCCN(S(=O)(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC000828265797 601807934 /nfs/dbraw/zinc/80/79/34/601807934.db2.gz JOOSACHTBQTKAB-SNVBAGLBSA-N -1 0 354.450 -0.415 20 0 FBADRM CN(C[C@@H]1CN(C(=O)NC2CN(C(=O)[O-])C2)CCO1)c1cccnn1 ZINC000828266928 605410694 /nfs/dbraw/zinc/41/06/94/605410694.db2.gz KRIDDYWJZLOCFB-GFCCVEGCSA-N -1 0 350.379 -0.315 20 0 FBADRM CN(C[C@H]1CN(C(=O)NC2CN(C(=O)[O-])C2)CCO1)c1cccnn1 ZINC000828266929 605410580 /nfs/dbraw/zinc/41/05/80/605410580.db2.gz KRIDDYWJZLOCFB-LBPRGKRZSA-N -1 0 350.379 -0.315 20 0 FBADRM CN(C[C@H]1CCS(=O)(=O)C1)CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O ZINC000828267020 603604526 /nfs/dbraw/zinc/60/45/26/603604526.db2.gz MZIHTCXLWMTNTG-NEPJUHHUSA-N -1 0 360.436 -0.590 20 0 FBADRM CN(C[C@@H]1CCS(=O)(=O)C1)CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O ZINC000828267021 603604261 /nfs/dbraw/zinc/60/42/61/603604261.db2.gz MZIHTCXLWMTNTG-NWDGAFQWSA-N -1 0 360.436 -0.590 20 0 FBADRM CN(C[C@@H]1CCS(=O)(=O)C1)CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O ZINC000828267022 603604405 /nfs/dbraw/zinc/60/44/05/603604405.db2.gz MZIHTCXLWMTNTG-RYUDHWBXSA-N -1 0 360.436 -0.590 20 0 FBADRM CN(C[C@H]1CCS(=O)(=O)C1)CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O ZINC000828267023 603605469 /nfs/dbraw/zinc/60/54/69/603605469.db2.gz MZIHTCXLWMTNTG-VXGBXAGGSA-N -1 0 360.436 -0.590 20 0 FBADRM CN(C[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CCO1)c1cccnn1 ZINC000828267063 605447129 /nfs/dbraw/zinc/44/71/29/605447129.db2.gz NVDLXTYUQHESTP-JHJVBQTASA-N -1 0 365.390 -0.747 20 0 FBADRM CN(C[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CCO1)c1cccnn1 ZINC000828267064 605447077 /nfs/dbraw/zinc/44/70/77/605447077.db2.gz NVDLXTYUQHESTP-UPJWGTAASA-N -1 0 365.390 -0.747 20 0 FBADRM CN(C[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CCO1)c1cccnn1 ZINC000828267065 605446921 /nfs/dbraw/zinc/44/69/21/605446921.db2.gz NVDLXTYUQHESTP-XQQFMLRXSA-N -1 0 365.390 -0.747 20 0 FBADRM CN(C[C@@H]1CN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CCO1)c1cccnn1 ZINC000828267066 605446631 /nfs/dbraw/zinc/44/66/31/605446631.db2.gz NVDLXTYUQHESTP-YNEHKIRRSA-N -1 0 365.390 -0.747 20 0 FBADRM CN(C[C@@H]1CN(C(=O)COCCNC(=O)[O-])CCO1)c1cccnn1 ZINC000828267504 605683418 /nfs/dbraw/zinc/68/34/18/605683418.db2.gz UZWWAPURPNSCTE-GFCCVEGCSA-N -1 0 353.379 -0.576 20 0 FBADRM CN(C[C@H]1CN(C(=O)COCCNC(=O)[O-])CCO1)c1cccnn1 ZINC000828267506 605683166 /nfs/dbraw/zinc/68/31/66/605683166.db2.gz UZWWAPURPNSCTE-LBPRGKRZSA-N -1 0 353.379 -0.576 20 0 FBADRM CN(C[C@@H]1CN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CCO1)c1cccnn1 ZINC000828267722 605683145 /nfs/dbraw/zinc/68/31/45/605683145.db2.gz YGUYAIIFHUMNBE-CHWSQXEVSA-N -1 0 365.390 -0.481 20 0 FBADRM CN(C[C@@H]1CN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCO1)c1cccnn1 ZINC000828267723 605683126 /nfs/dbraw/zinc/68/31/26/605683126.db2.gz YGUYAIIFHUMNBE-OLZOCXBDSA-N -1 0 365.390 -0.481 20 0 FBADRM CN(C[C@H]1CN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CCO1)c1cccnn1 ZINC000828267725 605683322 /nfs/dbraw/zinc/68/33/22/605683322.db2.gz YGUYAIIFHUMNBE-QWHCGFSZSA-N -1 0 365.390 -0.481 20 0 FBADRM CN(C[C@H]1CN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCO1)c1cccnn1 ZINC000828267727 605683169 /nfs/dbraw/zinc/68/31/69/605683169.db2.gz YGUYAIIFHUMNBE-STQMWFEESA-N -1 0 365.390 -0.481 20 0 FBADRM CN(C[C@@H]1CN(C(=O)NCCCNC(=O)[O-])CCO1)c1cccnn1 ZINC000828267750 605390624 /nfs/dbraw/zinc/39/06/24/605390624.db2.gz YMJSQLVTKHUULK-GFCCVEGCSA-N -1 0 352.395 -0.019 20 0 FBADRM CN(C[C@H]1CN(C(=O)NCCCNC(=O)[O-])CCO1)c1cccnn1 ZINC000828267751 605390373 /nfs/dbraw/zinc/39/03/73/605390373.db2.gz YMJSQLVTKHUULK-LBPRGKRZSA-N -1 0 352.395 -0.019 20 0 FBADRM CN(C[C@@H]1CN(C(=O)[C@H]2COCCN2C(=O)[O-])CCO1)c1cccnn1 ZINC000828267764 605686088 /nfs/dbraw/zinc/68/60/88/605686088.db2.gz YQYFYTDLSDDFGQ-CHWSQXEVSA-N -1 0 365.390 -0.481 20 0 FBADRM CN(C[C@@H]1CN(C(=O)[C@@H]2COCCN2C(=O)[O-])CCO1)c1cccnn1 ZINC000828267766 605685770 /nfs/dbraw/zinc/68/57/70/605685770.db2.gz YQYFYTDLSDDFGQ-OLZOCXBDSA-N -1 0 365.390 -0.481 20 0 FBADRM CN(C[C@H]1CN(C(=O)[C@H]2COCCN2C(=O)[O-])CCO1)c1cccnn1 ZINC000828267768 605685780 /nfs/dbraw/zinc/68/57/80/605685780.db2.gz YQYFYTDLSDDFGQ-QWHCGFSZSA-N -1 0 365.390 -0.481 20 0 FBADRM CN(C[C@H]1CN(C(=O)[C@@H]2COCCN2C(=O)[O-])CCO1)c1cccnn1 ZINC000828267770 605685784 /nfs/dbraw/zinc/68/57/84/605685784.db2.gz YQYFYTDLSDDFGQ-STQMWFEESA-N -1 0 365.390 -0.481 20 0 FBADRM CN(CCCNC(=O)N1CCN(c2nccn(C)c2=O)CC1)C(=O)[O-] ZINC000828292426 604000887 /nfs/dbraw/zinc/00/08/87/604000887.db2.gz ABBMRNZUJOGZET-UHFFFAOYSA-N -1 0 352.395 -0.388 20 0 FBADRM CN(CCCNC(=O)NCCNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000828294104 605525387 /nfs/dbraw/zinc/52/53/87/605525387.db2.gz UXKDLQPIXNSKML-UHFFFAOYSA-N -1 0 359.408 -0.341 20 0 FBADRM CN(CCCNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C(=O)[O-] ZINC000828294578 603563356 /nfs/dbraw/zinc/56/33/56/603563356.db2.gz ZIUXZWSWBAXTAI-UHFFFAOYSA-N -1 0 368.394 -0.137 20 0 FBADRM CC1CCN(S(=O)(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1 ZINC000828295422 601807950 /nfs/dbraw/zinc/80/79/50/601807950.db2.gz GMLVYODTAGYOJL-UHFFFAOYSA-N -1 0 354.450 -0.415 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000828298402 603563245 /nfs/dbraw/zinc/56/32/45/603563245.db2.gz QZZPSTDRCVZIGX-UHFFFAOYSA-N -1 0 368.394 -0.137 20 0 FBADRM CN(CCCNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C(=O)[O-] ZINC000828301625 603365330 /nfs/dbraw/zinc/36/53/30/603365330.db2.gz BFSPVIHREIFVQZ-UHFFFAOYSA-N -1 0 357.388 -0.325 20 0 FBADRM CN(CCCNC(=O)[O-])C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000828303160 602966196 /nfs/dbraw/zinc/96/61/96/602966196.db2.gz YRSLFRAEJNJDDW-UHFFFAOYSA-N -1 0 357.388 -0.325 20 0 FBADRM CN(CCN1CCCS1(=O)=O)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000828311817 603743166 /nfs/dbraw/zinc/74/31/66/603743166.db2.gz AHQLWFPHYOBUPP-GFCCVEGCSA-N -1 0 363.436 -0.361 20 0 FBADRM CN(CCN1CCCS1(=O)=O)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000828311818 603743111 /nfs/dbraw/zinc/74/31/11/603743111.db2.gz AHQLWFPHYOBUPP-LBPRGKRZSA-N -1 0 363.436 -0.361 20 0 FBADRM CN(CCN1CCCS1(=O)=O)C(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000828311838 605668695 /nfs/dbraw/zinc/66/86/95/605668695.db2.gz AVUZAHGYBNXWFG-LLVKDONJSA-N -1 0 365.477 -0.034 20 0 FBADRM CN(CCN1CCCS1(=O)=O)C(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000828311839 605668859 /nfs/dbraw/zinc/66/88/59/605668859.db2.gz AVUZAHGYBNXWFG-NSHDSACASA-N -1 0 365.477 -0.034 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000828311844 604112019 /nfs/dbraw/zinc/11/20/19/604112019.db2.gz BHEAGOSLYCDNRR-GFCCVEGCSA-N -1 0 364.406 -0.483 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000828311845 604111983 /nfs/dbraw/zinc/11/19/83/604111983.db2.gz BHEAGOSLYCDNRR-LBPRGKRZSA-N -1 0 364.406 -0.483 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NC1CCC(C(N)=O)CC1 ZINC000828311857 603574993 /nfs/dbraw/zinc/57/49/93/603574993.db2.gz BOJYUVNXGDLCAL-UHFFFAOYSA-N -1 0 355.439 -0.033 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000828312506 604179638 /nfs/dbraw/zinc/17/96/38/604179638.db2.gz NHBSOFPMSJQYPS-GFCCVEGCSA-N -1 0 353.423 -0.313 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000828312507 604179783 /nfs/dbraw/zinc/17/97/83/604179783.db2.gz NHBSOFPMSJQYPS-LBPRGKRZSA-N -1 0 353.423 -0.313 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000828312786 604153116 /nfs/dbraw/zinc/15/31/16/604153116.db2.gz RSRYPCSXFCYJIQ-UHFFFAOYSA-N -1 0 361.464 -0.045 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000828313047 603754377 /nfs/dbraw/zinc/75/43/77/603754377.db2.gz USICEGIFOXRGGO-UHFFFAOYSA-N -1 0 355.395 -0.929 20 0 FBADRM CN(CCN1CCCS1(=O)=O)C(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000828313077 605761174 /nfs/dbraw/zinc/76/11/74/605761174.db2.gz VBCGQCUSQZDUMB-UHFFFAOYSA-N -1 0 362.452 -0.788 20 0 FBADRM CN(CCN1CCCS1(=O)=O)CN1CC2(CN(C(=O)[O-])C2)CC1=O ZINC000828313363 603688121 /nfs/dbraw/zinc/68/81/21/603688121.db2.gz YWHLIBYVDKCCRT-UHFFFAOYSA-N -1 0 360.436 -0.877 20 0 FBADRM CN(CCCn1ccnc1)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000828313533 605290716 /nfs/dbraw/zinc/29/07/16/605290716.db2.gz ZNHGBSBBJVSGAT-UHFFFAOYSA-N -1 0 352.395 -0.263 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000828315768 605184257 /nfs/dbraw/zinc/18/42/57/605184257.db2.gz DPFQIBIGBWDOBR-UHFFFAOYSA-N -1 0 365.843 -0.010 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)Cc1nc(CS(C)(=O)=O)no1 ZINC000828315826 604056404 /nfs/dbraw/zinc/05/64/04/604056404.db2.gz GSYUUUANBYACAR-UHFFFAOYSA-N -1 0 361.424 -0.658 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCc1ccc(C(N)=O)o1 ZINC000828315828 603864226 /nfs/dbraw/zinc/86/42/26/603864226.db2.gz GUFMBKURZJKZLC-UHFFFAOYSA-N -1 0 353.379 -0.185 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000828315918 605186137 /nfs/dbraw/zinc/18/61/37/605186137.db2.gz IPXLUKYEDZBGCR-GFCCVEGCSA-N -1 0 362.452 -0.499 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000828315920 605186064 /nfs/dbraw/zinc/18/60/64/605186064.db2.gz IPXLUKYEDZBGCR-LBPRGKRZSA-N -1 0 362.452 -0.499 20 0 FBADRM CN(CCNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2)C(=O)[O-] ZINC000828316128 604141246 /nfs/dbraw/zinc/14/12/46/604141246.db2.gz LHHDEFUAVWIJTP-UHFFFAOYSA-N -1 0 350.331 -0.294 20 0 FBADRM CN(C)c1ncc(CNC(=O)N(C)CCN2CCN(C(=O)[O-])CC2)n1C ZINC000828316130 603655728 /nfs/dbraw/zinc/65/57/28/603655728.db2.gz LIXXPHJNBUHJTJ-UHFFFAOYSA-N -1 0 367.454 -0.077 20 0 FBADRM CN(CCNC(=O)C(=O)Nc1ccccc1N(C)S(C)(=O)=O)C(=O)[O-] ZINC000828316225 603908801 /nfs/dbraw/zinc/90/88/01/603908801.db2.gz MSPWQVXKBANMJZ-UHFFFAOYSA-N -1 0 372.403 -0.253 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCCc1nnc2n1CCC2 ZINC000828316397 604142694 /nfs/dbraw/zinc/14/26/94/604142694.db2.gz NQWQPGUXPYOUGQ-UHFFFAOYSA-N -1 0 365.438 -0.296 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCc1nnnn1C1CC1 ZINC000828316725 661126334 /nfs/dbraw/zinc/12/63/34/661126334.db2.gz SYUOUKWMQPKTBB-UHFFFAOYSA-N -1 0 352.399 -0.555 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCc1ccc(C(N)=O)nc1 ZINC000828316767 604003315 /nfs/dbraw/zinc/00/33/15/604003315.db2.gz VPBVQSMPOYYGQB-UHFFFAOYSA-N -1 0 364.406 -0.383 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NCC(C)(C)S(C)(=O)=O ZINC000828316862 604145083 /nfs/dbraw/zinc/14/50/83/604145083.db2.gz VXLAJGMLTYMVEU-UHFFFAOYSA-N -1 0 364.468 -0.253 20 0 FBADRM CN(CCN1CCN(C(=O)[O-])CC1)S(=O)(=O)c1cnc(Cl)n1C ZINC000828316927 605865215 /nfs/dbraw/zinc/86/52/15/605865215.db2.gz YMPAVXQFPJSZGR-UHFFFAOYSA-N -1 0 365.843 -0.010 20 0 FBADRM CN(CCNC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2)C(=O)[O-] ZINC000828316951 604563143 /nfs/dbraw/zinc/56/31/43/604563143.db2.gz ZOTWULYDJQLLTE-UHFFFAOYSA-N -1 0 355.372 -0.319 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H]1C(=O)[O-] ZINC000828318501 601800860 /nfs/dbraw/zinc/80/08/60/601800860.db2.gz NGEICURSPSECRA-GZMMTYOYSA-N -1 0 355.372 -0.548 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C(=O)[O-] ZINC000828318502 601800800 /nfs/dbraw/zinc/80/08/00/601800800.db2.gz NGEICURSPSECRA-KCJUWKMLSA-N -1 0 355.372 -0.548 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C(=O)[O-] ZINC000828318504 601800868 /nfs/dbraw/zinc/80/08/68/601800868.db2.gz NGEICURSPSECRA-KWQFWETISA-N -1 0 355.372 -0.548 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H]1C(=O)[O-] ZINC000828318506 601800890 /nfs/dbraw/zinc/80/08/90/601800890.db2.gz NGEICURSPSECRA-LDYMZIIASA-N -1 0 355.372 -0.548 20 0 FBADRM CN(CCNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000828321021 604813891 /nfs/dbraw/zinc/81/38/91/604813891.db2.gz CJMVHGMTSRQKLX-UHFFFAOYSA-N -1 0 364.406 -0.369 20 0 FBADRM CN(CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)C(=O)[O-] ZINC000828321862 604356141 /nfs/dbraw/zinc/35/61/41/604356141.db2.gz YLRZTTFHJYYYPO-UHFFFAOYSA-N -1 0 357.388 -0.279 20 0 FBADRM CN(CCNC(=O)NCCNC(=O)[O-])S(=O)(=O)c1cccs1 ZINC000828323851 605523770 /nfs/dbraw/zinc/52/37/70/605523770.db2.gz GALGEQVWGKTZDV-UHFFFAOYSA-N -1 0 350.422 -0.065 20 0 FBADRM CN(CCNC(=O)N1CCO[C@H](CN(C)c2cccnn2)C1)C(=O)[O-] ZINC000828324476 605390880 /nfs/dbraw/zinc/39/08/80/605390880.db2.gz QHVBAUFWFQZWIN-GFCCVEGCSA-N -1 0 352.395 -0.067 20 0 FBADRM CN(CCNC(=O)N1CCO[C@@H](CN(C)c2cccnn2)C1)C(=O)[O-] ZINC000828324477 605390728 /nfs/dbraw/zinc/39/07/28/605390728.db2.gz QHVBAUFWFQZWIN-LBPRGKRZSA-N -1 0 352.395 -0.067 20 0 FBADRM CN(CCNC(=O)N1CCc2ncnc(N3CCOCC3)c2C1)C(=O)[O-] ZINC000828324944 603853108 /nfs/dbraw/zinc/85/31/08/603853108.db2.gz YSLJJGZGIADBJR-UHFFFAOYSA-N -1 0 364.406 -0.009 20 0 FBADRM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000828325301 601809360 /nfs/dbraw/zinc/80/93/60/601809360.db2.gz FDGCPIDZEPTMLD-GWCFXTLKSA-N -1 0 370.431 -0.107 20 0 FBADRM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000828325303 601809203 /nfs/dbraw/zinc/80/92/03/601809203.db2.gz FDGCPIDZEPTMLD-GXFFZTMASA-N -1 0 370.431 -0.107 20 0 FBADRM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000828325305 601809324 /nfs/dbraw/zinc/80/93/24/601809324.db2.gz FDGCPIDZEPTMLD-MFKMUULPSA-N -1 0 370.431 -0.107 20 0 FBADRM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000828325307 601809163 /nfs/dbraw/zinc/80/91/63/601809163.db2.gz FDGCPIDZEPTMLD-ZWNOBZJWSA-N -1 0 370.431 -0.107 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C[C@H]1C(=O)[O-] ZINC000828325897 601719021 /nfs/dbraw/zinc/71/90/21/601719021.db2.gz JZTDHXQAMVWYID-HZSPNIEDSA-N -1 0 353.419 -0.654 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C[C@@H]1C(=O)[O-] ZINC000828325898 601718883 /nfs/dbraw/zinc/71/88/83/601718883.db2.gz JZTDHXQAMVWYID-MCIONIFRSA-N -1 0 353.419 -0.654 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C[C@H]1C(=O)[O-] ZINC000828325899 601719069 /nfs/dbraw/zinc/71/90/69/601719069.db2.gz JZTDHXQAMVWYID-MGPQQGTHSA-N -1 0 353.419 -0.654 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C[C@@H]1C(=O)[O-] ZINC000828325900 601718964 /nfs/dbraw/zinc/71/89/64/601718964.db2.gz JZTDHXQAMVWYID-RDBSUJKOSA-N -1 0 353.419 -0.654 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C[C@@H]1C(=O)[O-] ZINC000828326171 601717219 /nfs/dbraw/zinc/71/72/19/601717219.db2.gz NKRTVEUVLXCISU-KKOKHZNYSA-N -1 0 358.416 -0.799 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C[C@@H]1C(=O)[O-] ZINC000828326172 601717054 /nfs/dbraw/zinc/71/70/54/601717054.db2.gz NKRTVEUVLXCISU-WYUUTHIRSA-N -1 0 358.416 -0.799 20 0 FBADRM C[C@@H]1CN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C[C@H]1C(=O)[O-] ZINC000828326558 601711974 /nfs/dbraw/zinc/71/19/74/601711974.db2.gz SUQHXJKVYMGUTO-GMTAPVOTSA-N -1 0 371.415 -0.669 20 0 FBADRM C[C@@H]1CN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C[C@@H]1C(=O)[O-] ZINC000828326560 601711998 /nfs/dbraw/zinc/71/19/98/601711998.db2.gz SUQHXJKVYMGUTO-MXWKQRLJSA-N -1 0 371.415 -0.669 20 0 FBADRM C[C@@H]1CN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C[C@H]1C(=O)[O-] ZINC000828326561 601711866 /nfs/dbraw/zinc/71/18/66/601711866.db2.gz SUQHXJKVYMGUTO-OUAUKWLOSA-N -1 0 371.415 -0.669 20 0 FBADRM C[C@@H]1CN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C[C@@H]1C(=O)[O-] ZINC000828326563 601712060 /nfs/dbraw/zinc/71/20/60/601712060.db2.gz SUQHXJKVYMGUTO-VWYCJHECSA-N -1 0 371.415 -0.669 20 0 FBADRM CN(CCNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C(=O)[O-] ZINC000828329953 604249975 /nfs/dbraw/zinc/24/99/75/604249975.db2.gz PEKKDNNBRYAAHE-UHFFFAOYSA-N -1 0 354.367 -0.527 20 0 FBADRM CN(CCNC(=O)[O-])CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000828330235 604357727 /nfs/dbraw/zinc/35/77/27/604357727.db2.gz WNCSIRRNJVKBBM-UHFFFAOYSA-N -1 0 357.455 -0.755 20 0 FBADRM CN(CCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000828332201 604328040 /nfs/dbraw/zinc/32/80/40/604328040.db2.gz HXJICSUZEDPGGH-UHFFFAOYSA-N -1 0 365.433 -0.506 20 0 FBADRM CN(CCOC(=O)C(C)(C)CNC(=O)[O-])S(=O)(=O)N1CCOCC1 ZINC000828332378 603786344 /nfs/dbraw/zinc/78/63/44/603786344.db2.gz MOLLOMDTCYUBIE-UHFFFAOYSA-N -1 0 367.424 -0.668 20 0 FBADRM CN(CCNc1ccc(S(N)(=O)=O)cc1S(C)(=O)=O)C(=O)[O-] ZINC000828333007 603186774 /nfs/dbraw/zinc/18/67/74/603186774.db2.gz ZUICNTRODBZIEF-UHFFFAOYSA-N -1 0 351.406 -0.241 20 0 FBADRM C[C@H]1CN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1C(=O)[O-] ZINC000828334320 601713103 /nfs/dbraw/zinc/71/31/03/601713103.db2.gz MZIMXMYRPRXSTO-UWVGGRQHSA-N -1 0 363.374 -0.997 20 0 FBADRM C[C@H]1CN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1C(=O)[O-] ZINC000828334321 601713137 /nfs/dbraw/zinc/71/31/37/601713137.db2.gz MZIMXMYRPRXSTO-VHSXEESVSA-N -1 0 363.374 -0.997 20 0 FBADRM C[C@@H]1CN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1C(=O)[O-] ZINC000828334322 601713266 /nfs/dbraw/zinc/71/32/66/601713266.db2.gz MZIMXMYRPRXSTO-ZJUUUORDSA-N -1 0 363.374 -0.997 20 0 FBADRM C[C@@H]1CN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@@H]1C(=O)[O-] ZINC000828335087 601693599 /nfs/dbraw/zinc/69/35/99/601693599.db2.gz SYTMYIJGNSFHJB-ILXRZTDVSA-N -1 0 367.446 -0.121 20 0 FBADRM C[C@@H]1CN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@H]1C(=O)[O-] ZINC000828335088 601693649 /nfs/dbraw/zinc/69/36/49/601693649.db2.gz SYTMYIJGNSFHJB-KFWWJZLASA-N -1 0 367.446 -0.121 20 0 FBADRM C[C@@H]1CN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@@H]1C(=O)[O-] ZINC000828335089 601693619 /nfs/dbraw/zinc/69/36/19/601693619.db2.gz SYTMYIJGNSFHJB-QLFBSQMISA-N -1 0 367.446 -0.121 20 0 FBADRM C[C@@H]1CN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@H]1C(=O)[O-] ZINC000828335090 601693668 /nfs/dbraw/zinc/69/36/68/601693668.db2.gz SYTMYIJGNSFHJB-RBSFLKMASA-N -1 0 367.446 -0.121 20 0 FBADRM CN(CCc1ccccn1)C(=O)CNC(=O)COC1CN(C(=O)[O-])C1 ZINC000828340584 603997492 /nfs/dbraw/zinc/99/74/92/603997492.db2.gz AJRYBDXFGCZBTG-UHFFFAOYSA-N -1 0 350.375 -0.423 20 0 FBADRM CN(CCc1ccccn1)C(=O)CNC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828340939 604819862 /nfs/dbraw/zinc/81/98/62/604819862.db2.gz FPTBAVZSPRCKDW-AWEZNQCLSA-N -1 0 364.402 -0.032 20 0 FBADRM CN(CCc1ccccn1)C(=O)CNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828340940 604819700 /nfs/dbraw/zinc/81/97/00/604819700.db2.gz FPTBAVZSPRCKDW-CQSZACIVSA-N -1 0 364.402 -0.032 20 0 FBADRM CN(CCS(C)(=O)=O)C(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000828341786 603710065 /nfs/dbraw/zinc/71/00/65/603710065.db2.gz UTUHERPPWOGRKG-UHFFFAOYSA-N -1 0 357.388 -0.104 20 0 FBADRM CN(CCc1ccccn1)C(=O)CNC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828341911 604819438 /nfs/dbraw/zinc/81/94/38/604819438.db2.gz VMBTVCQFXPMDAN-CYBMUJFWSA-N -1 0 350.375 -0.423 20 0 FBADRM CN(CCc1ccccn1)C(=O)CNC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828341912 604819832 /nfs/dbraw/zinc/81/98/32/604819832.db2.gz VMBTVCQFXPMDAN-ZDUSSCGKSA-N -1 0 350.375 -0.423 20 0 FBADRM CN(CCc1ccccn1)C(=O)CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000828341979 603740655 /nfs/dbraw/zinc/74/06/55/603740655.db2.gz XPLPFBMVERPGBP-CHWSQXEVSA-N -1 0 350.375 -0.688 20 0 FBADRM CN(CCc1ccccn1)C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000828341980 603740924 /nfs/dbraw/zinc/74/09/24/603740924.db2.gz XPLPFBMVERPGBP-OLZOCXBDSA-N -1 0 350.375 -0.688 20 0 FBADRM CN(CCc1ccccn1)C(=O)CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000828341981 603740945 /nfs/dbraw/zinc/74/09/45/603740945.db2.gz XPLPFBMVERPGBP-QWHCGFSZSA-N -1 0 350.375 -0.688 20 0 FBADRM CN(CCc1ccccn1)C(=O)CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000828341982 603740905 /nfs/dbraw/zinc/74/09/05/603740905.db2.gz XPLPFBMVERPGBP-STQMWFEESA-N -1 0 350.375 -0.688 20 0 FBADRM C[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)CCN1c1nccn2cnnc12 ZINC000828347817 604959722 /nfs/dbraw/zinc/95/97/22/604959722.db2.gz GHHLVKZXUHAOGY-JTQLQIEISA-N -1 0 371.361 -0.849 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)CCN1c1nccn2cnnc12 ZINC000828347825 604959937 /nfs/dbraw/zinc/95/99/37/604959937.db2.gz GHHLVKZXUHAOGY-SNVBAGLBSA-N -1 0 371.361 -0.849 20 0 FBADRM C[C@H]1CN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)C[C@@H]1C(=O)[O-] ZINC000828348703 601720319 /nfs/dbraw/zinc/72/03/19/601720319.db2.gz KYGFTGKBXIYPKB-BQBZGAKWSA-N -1 0 360.164 -0.110 20 0 FBADRM C[C@H]1CN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)C[C@H]1C(=O)[O-] ZINC000828348705 601720279 /nfs/dbraw/zinc/72/02/79/601720279.db2.gz KYGFTGKBXIYPKB-NKWVEPMBSA-N -1 0 360.164 -0.110 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)C[C@@H]1C(=O)[O-] ZINC000828348709 601720266 /nfs/dbraw/zinc/72/02/66/601720266.db2.gz KYGFTGKBXIYPKB-RQJHMYQMSA-N -1 0 360.164 -0.110 20 0 FBADRM C[C@H]1CN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C[C@@H]1C(=O)[O-] ZINC000828349357 601661782 /nfs/dbraw/zinc/66/17/82/601661782.db2.gz OUNZNYLGMZTWCA-AAEUAGOBSA-N -1 0 361.464 -0.143 20 0 FBADRM C[C@@H]1CN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C[C@H]1C(=O)[O-] ZINC000828349358 601661814 /nfs/dbraw/zinc/66/18/14/601661814.db2.gz OUNZNYLGMZTWCA-DGCLKSJQSA-N -1 0 361.464 -0.143 20 0 FBADRM C[C@H]1CN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C[C@H]1C(=O)[O-] ZINC000828349359 601661868 /nfs/dbraw/zinc/66/18/68/601661868.db2.gz OUNZNYLGMZTWCA-WCQYABFASA-N -1 0 361.464 -0.143 20 0 FBADRM C[C@@H]1CN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C[C@@H]1C(=O)[O-] ZINC000828349360 601661893 /nfs/dbraw/zinc/66/18/93/601661893.db2.gz OUNZNYLGMZTWCA-YPMHNXCESA-N -1 0 361.464 -0.143 20 0 FBADRM C[C@H]1CN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C[C@H]1C(=O)[O-] ZINC000828362338 601666934 /nfs/dbraw/zinc/66/69/34/601666934.db2.gz PFXBBZFBDNDLNG-GXSJLCMTSA-N -1 0 360.392 -0.544 20 0 FBADRM C[C@@H]1CN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C[C@@H]1C(=O)[O-] ZINC000828362344 601666899 /nfs/dbraw/zinc/66/68/99/601666899.db2.gz PFXBBZFBDNDLNG-KOLCDFICSA-N -1 0 360.392 -0.544 20 0 FBADRM C[C@@H]1CN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C[C@H]1C(=O)[O-] ZINC000828362345 601667119 /nfs/dbraw/zinc/66/71/19/601667119.db2.gz PFXBBZFBDNDLNG-MWLCHTKSSA-N -1 0 360.392 -0.544 20 0 FBADRM C[C@H]1CN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C[C@@H]1C(=O)[O-] ZINC000828362346 601667053 /nfs/dbraw/zinc/66/70/53/601667053.db2.gz PFXBBZFBDNDLNG-ONGXEEELSA-N -1 0 360.392 -0.544 20 0 FBADRM C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCSCC2)C[C@H]1C(=O)[O-] ZINC000828363689 601660958 /nfs/dbraw/zinc/66/09/58/601660958.db2.gz YGCLMAFBLVHOCV-GHMZBOCLSA-N -1 0 365.477 -0.273 20 0 FBADRM C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCSCC2)C[C@@H]1C(=O)[O-] ZINC000828363690 601661017 /nfs/dbraw/zinc/66/10/17/601661017.db2.gz YGCLMAFBLVHOCV-MNOVXSKESA-N -1 0 365.477 -0.273 20 0 FBADRM C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCSCC2)C[C@@H]1C(=O)[O-] ZINC000828363691 601661111 /nfs/dbraw/zinc/66/11/11/601661111.db2.gz YGCLMAFBLVHOCV-QWRGUYRKSA-N -1 0 365.477 -0.273 20 0 FBADRM C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCSCC2)C[C@H]1C(=O)[O-] ZINC000828363792 601661086 /nfs/dbraw/zinc/66/10/86/601661086.db2.gz YGCLMAFBLVHOCV-WDEREUQCSA-N -1 0 365.477 -0.273 20 0 FBADRM CN(Cc1cccc(NC(=O)C(=O)NCCS(N)(=O)=O)c1)C(=O)[O-] ZINC000828368459 604176079 /nfs/dbraw/zinc/17/60/79/604176079.db2.gz AATILDXEAIZBEB-UHFFFAOYSA-N -1 0 358.376 -0.860 20 0 FBADRM CN(Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](CO)C2)c1)C(=O)[O-] ZINC000828368524 604074313 /nfs/dbraw/zinc/07/43/13/604074313.db2.gz CBDXXWPBKAQAAC-CYBMUJFWSA-N -1 0 351.359 -0.045 20 0 FBADRM CN(Cc1cccc(NC(=O)C(=O)N2CCO[C@H](CO)C2)c1)C(=O)[O-] ZINC000828368525 604074051 /nfs/dbraw/zinc/07/40/51/604074051.db2.gz CBDXXWPBKAQAAC-ZDUSSCGKSA-N -1 0 351.359 -0.045 20 0 FBADRM CN(Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)c1)C(=O)[O-] ZINC000828368708 603708711 /nfs/dbraw/zinc/70/87/11/603708711.db2.gz DWNOPHMUNHSRQE-GFCCVEGCSA-N -1 0 364.358 -0.552 20 0 FBADRM CN(Cc1cccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)c1)C(=O)[O-] ZINC000828368710 603708430 /nfs/dbraw/zinc/70/84/30/603708430.db2.gz DWNOPHMUNHSRQE-LBPRGKRZSA-N -1 0 364.358 -0.552 20 0 FBADRM CN(Cc1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)c1)C(=O)[O-] ZINC000828369026 603721279 /nfs/dbraw/zinc/72/12/79/603721279.db2.gz JMORXORCGKYOFQ-BETUJISGSA-N -1 0 351.359 -0.311 20 0 FBADRM CN(Cc1cccc(NC(=O)C(=O)NCCCS(N)(=O)=O)c1)C(=O)[O-] ZINC000828369136 603723984 /nfs/dbraw/zinc/72/39/84/603723984.db2.gz KQRTZEQQOSWBDU-UHFFFAOYSA-N -1 0 372.403 -0.470 20 0 FBADRM CN(Cc1cccc(NC(=O)C(=O)NCCNS(C)(=O)=O)c1)C(=O)[O-] ZINC000828369270 603690718 /nfs/dbraw/zinc/69/07/18/603690718.db2.gz LKNNTAXZVQYXBR-UHFFFAOYSA-N -1 0 372.403 -0.600 20 0 FBADRM CN(Cc1cccc(NC(=O)C(=O)NCCS(C)(=O)=O)c1)C(=O)[O-] ZINC000828369893 603723580 /nfs/dbraw/zinc/72/35/80/603723580.db2.gz RWPIKVSRRVUROC-UHFFFAOYSA-N -1 0 357.388 -0.104 20 0 FBADRM CN(Cc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)c1)C(=O)[O-] ZINC000828370328 603731721 /nfs/dbraw/zinc/73/17/21/603731721.db2.gz XWNGBHORBWSVRG-UHFFFAOYSA-N -1 0 369.399 -0.008 20 0 FBADRM C[C@H]1CN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C[C@@H]1C(=O)[O-] ZINC000828384695 601796463 /nfs/dbraw/zinc/79/64/63/601796463.db2.gz BLUISCQAVIOICZ-AAEUAGOBSA-N -1 0 365.390 -0.074 20 0 FBADRM C[C@@H]1CN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C[C@H]1C(=O)[O-] ZINC000828384697 601796476 /nfs/dbraw/zinc/79/64/76/601796476.db2.gz BLUISCQAVIOICZ-DGCLKSJQSA-N -1 0 365.390 -0.074 20 0 FBADRM C[C@H]1CN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C[C@H]1C(=O)[O-] ZINC000828384698 601796603 /nfs/dbraw/zinc/79/66/03/601796603.db2.gz BLUISCQAVIOICZ-WCQYABFASA-N -1 0 365.390 -0.074 20 0 FBADRM C[C@@H]1CN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C[C@@H]1C(=O)[O-] ZINC000828384699 601796468 /nfs/dbraw/zinc/79/64/68/601796468.db2.gz BLUISCQAVIOICZ-YPMHNXCESA-N -1 0 365.390 -0.074 20 0 FBADRM CN(Cc1ccccc1NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)C(=O)[O-] ZINC000828386923 603708482 /nfs/dbraw/zinc/70/84/82/603708482.db2.gz DOQLIIYNVDBQBT-GFCCVEGCSA-N -1 0 364.358 -0.552 20 0 FBADRM CN(Cc1ccccc1NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1)C(=O)[O-] ZINC000828386927 603708620 /nfs/dbraw/zinc/70/86/20/603708620.db2.gz DOQLIIYNVDBQBT-LBPRGKRZSA-N -1 0 364.358 -0.552 20 0 FBADRM CN(Cc1ccccc1NC(=O)C(=O)N1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000828386954 603731879 /nfs/dbraw/zinc/73/18/79/603731879.db2.gz DVBGCDYCMURTKJ-UHFFFAOYSA-N -1 0 369.399 -0.008 20 0 FBADRM C[C@H]1CN(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@H]1C(=O)[O-] ZINC000828387567 601779016 /nfs/dbraw/zinc/77/90/16/601779016.db2.gz RFMFCGVOXJBGGT-GZMMTYOYSA-N -1 0 361.358 -0.183 20 0 FBADRM C[C@@H]1CN(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@@H]1C(=O)[O-] ZINC000828387568 601778925 /nfs/dbraw/zinc/77/89/25/601778925.db2.gz RFMFCGVOXJBGGT-KCJUWKMLSA-N -1 0 361.358 -0.183 20 0 FBADRM C[C@H]1CN(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@@H]1C(=O)[O-] ZINC000828387569 601778966 /nfs/dbraw/zinc/77/89/66/601778966.db2.gz RFMFCGVOXJBGGT-KWQFWETISA-N -1 0 361.358 -0.183 20 0 FBADRM C[C@@H]1CN(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@H]1C(=O)[O-] ZINC000828387570 601778954 /nfs/dbraw/zinc/77/89/54/601778954.db2.gz RFMFCGVOXJBGGT-LDYMZIIASA-N -1 0 361.358 -0.183 20 0 FBADRM C[C@@H]1CN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@@H]1C(=O)[O-] ZINC000828387989 601793913 /nfs/dbraw/zinc/79/39/13/601793913.db2.gz VBGZNATXWGTBRH-NEPJUHHUSA-N -1 0 365.390 -0.074 20 0 FBADRM C[C@H]1CN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@H]1C(=O)[O-] ZINC000828387990 601794317 /nfs/dbraw/zinc/79/43/17/601794317.db2.gz VBGZNATXWGTBRH-NWDGAFQWSA-N -1 0 365.390 -0.074 20 0 FBADRM C[C@H]1CN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@@H]1C(=O)[O-] ZINC000828387991 601794228 /nfs/dbraw/zinc/79/42/28/601794228.db2.gz VBGZNATXWGTBRH-RYUDHWBXSA-N -1 0 365.390 -0.074 20 0 FBADRM C[C@@H]1CN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@H]1C(=O)[O-] ZINC000828387992 601794299 /nfs/dbraw/zinc/79/42/99/601794299.db2.gz VBGZNATXWGTBRH-VXGBXAGGSA-N -1 0 365.390 -0.074 20 0 FBADRM CN(Cc1ccccc1NC(=O)C(=O)N1CCO[C@@H](CO)C1)C(=O)[O-] ZINC000828388207 604074102 /nfs/dbraw/zinc/07/41/02/604074102.db2.gz QBTCQNVPPHSWID-GFCCVEGCSA-N -1 0 351.359 -0.045 20 0 FBADRM CN(Cc1ccccc1NC(=O)C(=O)N1CCO[C@H](CO)C1)C(=O)[O-] ZINC000828388209 604074158 /nfs/dbraw/zinc/07/41/58/604074158.db2.gz QBTCQNVPPHSWID-LBPRGKRZSA-N -1 0 351.359 -0.045 20 0 FBADRM CN(Cc1ccccc1NC(=O)C(=O)N1C[C@H](O)C[C@H](O)C1)C(=O)[O-] ZINC000828388559 603721041 /nfs/dbraw/zinc/72/10/41/603721041.db2.gz WDTCYLRPZJNOGX-TXEJJXNPSA-N -1 0 351.359 -0.311 20 0 FBADRM CN(Cc1ccccc1NC(=O)C(=O)NCCCS(N)(=O)=O)C(=O)[O-] ZINC000828393276 603723862 /nfs/dbraw/zinc/72/38/62/603723862.db2.gz KUSNINNKLNOYGS-UHFFFAOYSA-N -1 0 372.403 -0.470 20 0 FBADRM CN(Cc1ccccc1NC(=O)C(=O)NCCS(N)(=O)=O)C(=O)[O-] ZINC000828393582 604175717 /nfs/dbraw/zinc/17/57/17/604175717.db2.gz NVKZHXWVSJUMSY-UHFFFAOYSA-N -1 0 358.376 -0.860 20 0 FBADRM CN(Cc1ccccc1NC(=O)C(=O)NCCNS(C)(=O)=O)C(=O)[O-] ZINC000828393929 603690531 /nfs/dbraw/zinc/69/05/31/603690531.db2.gz QJXHFZIOCXXSDI-UHFFFAOYSA-N -1 0 372.403 -0.600 20 0 FBADRM CN(Cc1ccccc1NC(=O)C(=O)NCCS(C)(=O)=O)C(=O)[O-] ZINC000828394363 603724671 /nfs/dbraw/zinc/72/46/71/603724671.db2.gz VCFIAOLZBRBVIR-UHFFFAOYSA-N -1 0 357.388 -0.104 20 0 FBADRM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C[C@H]1C(=O)[O-] ZINC000828395212 601759374 /nfs/dbraw/zinc/75/93/74/601759374.db2.gz VREOUGUUVCTYGW-BXKDBHETSA-N -1 0 354.384 -0.262 20 0 FBADRM C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C[C@@H]1C(=O)[O-] ZINC000828395214 601759485 /nfs/dbraw/zinc/75/94/85/601759485.db2.gz VREOUGUUVCTYGW-CABZTGNLSA-N -1 0 354.384 -0.262 20 0 FBADRM C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C[C@H]1C(=O)[O-] ZINC000828395216 601759250 /nfs/dbraw/zinc/75/92/50/601759250.db2.gz VREOUGUUVCTYGW-JOYOIKCWSA-N -1 0 354.384 -0.262 20 0 FBADRM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C[C@@H]1C(=O)[O-] ZINC000828395218 601759303 /nfs/dbraw/zinc/75/93/03/601759303.db2.gz VREOUGUUVCTYGW-SKDRFNHKSA-N -1 0 354.384 -0.262 20 0 FBADRM CN(Cc1ccco1)C(=O)CN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O ZINC000828407026 605351680 /nfs/dbraw/zinc/35/16/80/605351680.db2.gz MUGHVEQJVKKFLU-HNNXBMFYSA-N -1 0 350.331 -0.088 20 0 FBADRM CN(Cc1ccco1)C(=O)CN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O ZINC000828407028 605351542 /nfs/dbraw/zinc/35/15/42/605351542.db2.gz MUGHVEQJVKKFLU-OAHLLOKOSA-N -1 0 350.331 -0.088 20 0 FBADRM CN(Cc1cnn(C)c1)C(=O)COC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828410205 605229575 /nfs/dbraw/zinc/22/95/75/605229575.db2.gz HCTGKZMYNQKYFJ-GFCCVEGCSA-N -1 0 354.363 -0.309 20 0 FBADRM CN(Cc1cnn(C)c1)C(=O)COC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828410207 605229700 /nfs/dbraw/zinc/22/97/00/605229700.db2.gz HCTGKZMYNQKYFJ-LBPRGKRZSA-N -1 0 354.363 -0.309 20 0 FBADRM CN(Cc1cnn(C)c1)C(=O)CN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O ZINC000828411953 605349822 /nfs/dbraw/zinc/34/98/22/605349822.db2.gz WYLLYJMTTOBBDA-HNNXBMFYSA-N -1 0 364.362 -0.947 20 0 FBADRM CN(Cc1cnn(C)c1)C(=O)CN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O ZINC000828411955 605349369 /nfs/dbraw/zinc/34/93/69/605349369.db2.gz WYLLYJMTTOBBDA-OAHLLOKOSA-N -1 0 364.362 -0.947 20 0 FBADRM CN(Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)CC(C)(C)CNC(=O)[O-] ZINC000828416133 603628870 /nfs/dbraw/zinc/62/88/70/603628870.db2.gz DLNRURFHZFCCAR-UHFFFAOYSA-N -1 0 352.395 -0.314 20 0 FBADRM CN(Cc1nc(C(C)(C)NC(=O)[O-])no1)C[C@@H](O)CN1CCOCC1 ZINC000828416488 603573954 /nfs/dbraw/zinc/57/39/54/603573954.db2.gz JOONPJUOPNFVHF-LLVKDONJSA-N -1 0 357.411 -0.303 20 0 FBADRM CN(Cc1nc(C(C)(C)NC(=O)[O-])no1)C[C@H](O)CN1CCOCC1 ZINC000828416489 603574002 /nfs/dbraw/zinc/57/40/02/603574002.db2.gz JOONPJUOPNFVHF-NSHDSACASA-N -1 0 357.411 -0.303 20 0 FBADRM O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCC(c2nnn[n-]2)CC1 ZINC000828417422 661127215 /nfs/dbraw/zinc/12/72/15/661127215.db2.gz ZAUHLARKSWNOMD-KGLIPLIRSA-N -1 0 350.423 -0.215 20 0 FBADRM CN(c1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1)S(C)(=O)=O ZINC000828435042 603786843 /nfs/dbraw/zinc/78/68/43/603786843.db2.gz VWQPJHJMHQKPEU-CHWSQXEVSA-N -1 0 371.415 -0.188 20 0 FBADRM CN(c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1)S(C)(=O)=O ZINC000828435043 603786606 /nfs/dbraw/zinc/78/66/06/603786606.db2.gz VWQPJHJMHQKPEU-OLZOCXBDSA-N -1 0 371.415 -0.188 20 0 FBADRM CN(c1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1)S(C)(=O)=O ZINC000828435044 603786834 /nfs/dbraw/zinc/78/68/34/603786834.db2.gz VWQPJHJMHQKPEU-QWHCGFSZSA-N -1 0 371.415 -0.188 20 0 FBADRM CN(c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1)S(C)(=O)=O ZINC000828435045 603786678 /nfs/dbraw/zinc/78/66/78/603786678.db2.gz VWQPJHJMHQKPEU-STQMWFEESA-N -1 0 371.415 -0.188 20 0 FBADRM CN(c1ccccc1NC(=O)C(=O)NCCNC(=O)[O-])S(C)(=O)=O ZINC000828439859 603906986 /nfs/dbraw/zinc/90/69/86/603906986.db2.gz AGZJOQZOWUAUIR-UHFFFAOYSA-N -1 0 358.376 -0.595 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)C1=O ZINC000828439906 604248452 /nfs/dbraw/zinc/24/84/52/604248452.db2.gz BCCBNIVSXAEZEN-UHFFFAOYSA-N -1 0 366.374 -0.212 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)Nc2cc3c(cc2NC(=O)[O-])OCO3)C1=O ZINC000828440405 604009675 /nfs/dbraw/zinc/00/96/75/604009675.db2.gz FZRZMZAFZWVQOB-UHFFFAOYSA-N -1 0 364.270 -0.136 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N2CCC(OCCCNC(=O)[O-])CC2)C1=O ZINC000828440417 604079147 /nfs/dbraw/zinc/07/91/47/604079147.db2.gz GIOUJALSKMTHOF-UHFFFAOYSA-N -1 0 370.362 -0.928 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)[O-])CC23CCCCC3)C1=O ZINC000828440939 605748064 /nfs/dbraw/zinc/74/80/64/605748064.db2.gz JYDYLOMZWSHEFN-UHFFFAOYSA-N -1 0 366.374 -0.068 20 0 FBADRM CN(c1ccccc1NC(=O)C(=O)NCCCNC(=O)[O-])S(C)(=O)=O ZINC000828441969 603907081 /nfs/dbraw/zinc/90/70/81/603907081.db2.gz WRXQDDUVCGSINO-UHFFFAOYSA-N -1 0 372.403 -0.205 20 0 FBADRM CN1C(=O)COc2ccc(NC(=O)C(=O)N3CC[C@H](NC(=O)[O-])C3)cc21 ZINC000828443827 605118173 /nfs/dbraw/zinc/11/81/73/605118173.db2.gz BKVQZSWARHXUSJ-JTQLQIEISA-N -1 0 362.342 -0.151 20 0 FBADRM CN1C(=O)COc2ccc(NC(=O)C(=O)N3CC[C@@H](NC(=O)[O-])C3)cc21 ZINC000828443828 604572712 /nfs/dbraw/zinc/57/27/12/604572712.db2.gz BKVQZSWARHXUSJ-SNVBAGLBSA-N -1 0 362.342 -0.151 20 0 FBADRM CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)COC2CN(C(=O)[O-])C2)C1=O ZINC000828443886 603818418 /nfs/dbraw/zinc/81/84/18/603818418.db2.gz CMVZHBXQAIQEKS-BJOHPYRUSA-N -1 0 354.363 -0.798 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)COC2CN(C(=O)[O-])C2)C1=O ZINC000828443887 603818761 /nfs/dbraw/zinc/81/87/61/603818761.db2.gz CMVZHBXQAIQEKS-PSLIRLAXSA-N -1 0 354.363 -0.798 20 0 FBADRM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)COC2CN(C(=O)[O-])C2)C1=O ZINC000828443888 603818414 /nfs/dbraw/zinc/81/84/14/603818414.db2.gz CMVZHBXQAIQEKS-RFAUZJTJSA-N -1 0 354.363 -0.798 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)COC2CN(C(=O)[O-])C2)C1=O ZINC000828443889 603818459 /nfs/dbraw/zinc/81/84/59/603818459.db2.gz CMVZHBXQAIQEKS-VFZGTOFNSA-N -1 0 354.363 -0.798 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000828444160 604885559 /nfs/dbraw/zinc/88/55/59/604885559.db2.gz DAMCRCXXDCSFOH-FCHSOHFDSA-N -1 0 354.363 -0.798 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000828444161 604885631 /nfs/dbraw/zinc/88/56/31/604885631.db2.gz DAMCRCXXDCSFOH-FTGAXOIBSA-N -1 0 354.363 -0.798 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000828444162 604885542 /nfs/dbraw/zinc/88/55/42/604885542.db2.gz DAMCRCXXDCSFOH-WMFXKJRFSA-N -1 0 354.363 -0.798 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000828444163 604885695 /nfs/dbraw/zinc/88/56/95/604885695.db2.gz DAMCRCXXDCSFOH-YHAQOWFVSA-N -1 0 354.363 -0.798 20 0 FBADRM CN1C(=O)N[C@]2(CCN(C(=O)CO[C@@H]3CCCN(C(=O)[O-])C3)C2)C1=O ZINC000828444335 605286898 /nfs/dbraw/zinc/28/68/98/605286898.db2.gz FDDRYYZUEADYGV-BMIGLBTASA-N -1 0 354.363 -0.702 20 0 FBADRM CN1C(=O)N[C@]2(CCN(C(=O)CO[C@H]3CCCN(C(=O)[O-])C3)C2)C1=O ZINC000828444338 605286971 /nfs/dbraw/zinc/28/69/71/605286971.db2.gz FDDRYYZUEADYGV-BONVTDFDSA-N -1 0 354.363 -0.702 20 0 FBADRM CN1C(=O)N[C@@]2(CCN(C(=O)CO[C@@H]3CCCN(C(=O)[O-])C3)C2)C1=O ZINC000828444340 605287037 /nfs/dbraw/zinc/28/70/37/605287037.db2.gz FDDRYYZUEADYGV-MEBBXXQBSA-N -1 0 354.363 -0.702 20 0 FBADRM CN1C(=O)N[C@@]2(CCN(C(=O)CO[C@H]3CCCN(C(=O)[O-])C3)C2)C1=O ZINC000828444344 605287085 /nfs/dbraw/zinc/28/70/85/605287085.db2.gz FDDRYYZUEADYGV-ZUZCIYMTSA-N -1 0 354.363 -0.702 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1=O ZINC000828444676 603696406 /nfs/dbraw/zinc/69/64/06/603696406.db2.gz HRGRJHJQJXFLDY-FCHSOHFDSA-N -1 0 353.379 -0.242 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N[C@H]2CCN(C(=O)[O-])C2)C1=O ZINC000828444680 603696335 /nfs/dbraw/zinc/69/63/35/603696335.db2.gz HRGRJHJQJXFLDY-FTGAXOIBSA-N -1 0 353.379 -0.242 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1=O ZINC000828444684 603696075 /nfs/dbraw/zinc/69/60/75/603696075.db2.gz HRGRJHJQJXFLDY-WMFXKJRFSA-N -1 0 353.379 -0.242 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N[C@H]2CCN(C(=O)[O-])C2)C1=O ZINC000828444688 603696115 /nfs/dbraw/zinc/69/61/15/603696115.db2.gz HRGRJHJQJXFLDY-YHAQOWFVSA-N -1 0 353.379 -0.242 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000828444769 604885548 /nfs/dbraw/zinc/88/55/48/604885548.db2.gz HZNJPRIRETXWLQ-GDLVEWKHSA-N -1 0 368.390 -0.408 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000828444774 604885672 /nfs/dbraw/zinc/88/56/72/604885672.db2.gz HZNJPRIRETXWLQ-MMPTUQATSA-N -1 0 368.390 -0.408 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000828444778 604885641 /nfs/dbraw/zinc/88/56/41/604885641.db2.gz HZNJPRIRETXWLQ-USBNGQNGSA-N -1 0 368.390 -0.408 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000828444782 604885535 /nfs/dbraw/zinc/88/55/35/604885535.db2.gz HZNJPRIRETXWLQ-UVWXRNBGSA-N -1 0 368.390 -0.408 20 0 FBADRM CN1C(=O)COc2ccc(NC(=O)C(=O)N[C@H]3CCN(C(=O)[O-])C3)cc21 ZINC000828445116 604135244 /nfs/dbraw/zinc/13/52/44/604135244.db2.gz KDZUTDQYBAZLTJ-JTQLQIEISA-N -1 0 362.342 -0.151 20 0 FBADRM CN1C(=O)COc2ccc(NC(=O)C(=O)N[C@@H]3CCN(C(=O)[O-])C3)cc21 ZINC000828445118 604135238 /nfs/dbraw/zinc/13/52/38/604135238.db2.gz KDZUTDQYBAZLTJ-SNVBAGLBSA-N -1 0 362.342 -0.151 20 0 FBADRM CN1C(=O)COc2ccc(NC(=O)C(=O)NCCCNC(=O)[O-])cc21 ZINC000828445172 604128578 /nfs/dbraw/zinc/12/85/78/604128578.db2.gz KUMWXDKLEWSCDP-UHFFFAOYSA-N -1 0 350.331 -0.246 20 0 FBADRM CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)[C@H]2CSCN2C(=O)[O-])C1=O ZINC000828445278 603818379 /nfs/dbraw/zinc/81/83/79/603818379.db2.gz LFCZBIZHRSYDLQ-ATEUNZGCSA-N -1 0 356.404 -0.124 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@@H]2CSCN2C(=O)[O-])C1=O ZINC000828445279 603818612 /nfs/dbraw/zinc/81/86/12/603818612.db2.gz LFCZBIZHRSYDLQ-FZNYLWTLSA-N -1 0 356.404 -0.124 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@@H]2CSCN2C(=O)[O-])C1=O ZINC000828445280 603818411 /nfs/dbraw/zinc/81/84/11/603818411.db2.gz LFCZBIZHRSYDLQ-ITMYJUKJSA-N -1 0 356.404 -0.124 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@H]2CSCN2C(=O)[O-])C1=O ZINC000828445281 603818490 /nfs/dbraw/zinc/81/84/90/603818490.db2.gz LFCZBIZHRSYDLQ-NUPCCRGMSA-N -1 0 356.404 -0.124 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@H]2CSCN2C(=O)[O-])C1=O ZINC000828445282 603818716 /nfs/dbraw/zinc/81/87/16/603818716.db2.gz LFCZBIZHRSYDLQ-QIBSRJKCSA-N -1 0 356.404 -0.124 20 0 FBADRM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)[C@H]2CSCN2C(=O)[O-])C1=O ZINC000828445283 603818572 /nfs/dbraw/zinc/81/85/72/603818572.db2.gz LFCZBIZHRSYDLQ-RFXMVYNHSA-N -1 0 356.404 -0.124 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCN(C(=O)[O-])CC2)C1=O ZINC000828445300 603702257 /nfs/dbraw/zinc/70/22/57/603702257.db2.gz LUYNLZBNKLBFID-BMIGLBTASA-N -1 0 353.379 -0.288 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CCN(C(=O)[O-])CC2)C1=O ZINC000828445302 603702305 /nfs/dbraw/zinc/70/23/05/603702305.db2.gz LUYNLZBNKLBFID-BONVTDFDSA-N -1 0 353.379 -0.288 20 0 FBADRM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)N2CCN(C(=O)[O-])CC2)C1=O ZINC000828445303 603702403 /nfs/dbraw/zinc/70/24/03/603702403.db2.gz LUYNLZBNKLBFID-MEBBXXQBSA-N -1 0 353.379 -0.288 20 0 FBADRM CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N2CCN(C(=O)[O-])CC2)C1=O ZINC000828445305 603701926 /nfs/dbraw/zinc/70/19/26/603701926.db2.gz LUYNLZBNKLBFID-ZUZCIYMTSA-N -1 0 353.379 -0.288 20 0 FBADRM CN1C(=O)COc2ccc(NC(=O)CN3CCN(C(=O)[O-])CC3=O)cc21 ZINC000828445799 604027081 /nfs/dbraw/zinc/02/70/81/604027081.db2.gz PCUHDAAFFZVOIX-UHFFFAOYSA-N -1 0 362.342 -0.198 20 0 FBADRM CN1C(=O)c2ccc(NC(=O)Cn3nnnc3CNC(=O)[O-])cc2C1=O ZINC000828446026 604030841 /nfs/dbraw/zinc/03/08/41/604030841.db2.gz RIQBSZLECBIYIC-UHFFFAOYSA-N -1 0 359.302 -0.695 20 0 FBADRM CN1C(=O)N[C@@]2(CCN(C(=O)C[C@H]3CSCCN3C(=O)[O-])C2)C1=O ZINC000828446054 605661045 /nfs/dbraw/zinc/66/10/45/605661045.db2.gz ROIXDIDHRBAKAX-LKFCYVNXSA-N -1 0 356.404 -0.375 20 0 FBADRM CN1C(=O)N[C@]2(CCN(C(=O)C[C@@H]3CSCCN3C(=O)[O-])C2)C1=O ZINC000828446057 605661068 /nfs/dbraw/zinc/66/10/68/605661068.db2.gz ROIXDIDHRBAKAX-OTYXRUKQSA-N -1 0 356.404 -0.375 20 0 FBADRM CN1C(=O)N[C@]2(CCN(C(=O)C[C@H]3CSCCN3C(=O)[O-])C2)C1=O ZINC000828446059 605661090 /nfs/dbraw/zinc/66/10/90/605661090.db2.gz ROIXDIDHRBAKAX-XPTSAGLGSA-N -1 0 356.404 -0.375 20 0 FBADRM CN1C(=O)N[C@@]2(CCN(C(=O)C[C@@H]3CSCCN3C(=O)[O-])C2)C1=O ZINC000828446061 605660897 /nfs/dbraw/zinc/66/08/97/605660897.db2.gz ROIXDIDHRBAKAX-YMTOWFKASA-N -1 0 356.404 -0.375 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C1=O ZINC000828446146 603707550 /nfs/dbraw/zinc/70/75/50/603707550.db2.gz SWARRTXDXKUCFT-AMFBXLIHSA-N -1 0 356.354 -0.085 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)C1=O ZINC000828446149 603707675 /nfs/dbraw/zinc/70/76/75/603707675.db2.gz SWARRTXDXKUCFT-LNHVQRHZSA-N -1 0 356.354 -0.085 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)C1=O ZINC000828446151 603707802 /nfs/dbraw/zinc/70/78/02/603707802.db2.gz SWARRTXDXKUCFT-NKZPBKNFSA-N -1 0 356.354 -0.085 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C1=O ZINC000828446152 603707823 /nfs/dbraw/zinc/70/78/23/603707823.db2.gz SWARRTXDXKUCFT-ZWZTZDBGSA-N -1 0 356.354 -0.085 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@H]2COCCN2C(=O)[O-])C1=O ZINC000828446294 603819230 /nfs/dbraw/zinc/81/92/30/603819230.db2.gz VCLPJEZEBHZVAN-FCHSOHFDSA-N -1 0 354.363 -0.798 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@@H]2COCCN2C(=O)[O-])C1=O ZINC000828446296 603819525 /nfs/dbraw/zinc/81/95/25/603819525.db2.gz VCLPJEZEBHZVAN-FTGAXOIBSA-N -1 0 354.363 -0.798 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@H]2COCCN2C(=O)[O-])C1=O ZINC000828446298 603819496 /nfs/dbraw/zinc/81/94/96/603819496.db2.gz VCLPJEZEBHZVAN-WMFXKJRFSA-N -1 0 354.363 -0.798 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@@H]2COCCN2C(=O)[O-])C1=O ZINC000828446300 603819170 /nfs/dbraw/zinc/81/91/70/603819170.db2.gz VCLPJEZEBHZVAN-YHAQOWFVSA-N -1 0 354.363 -0.798 20 0 FBADRM CN1C(=O)COc2ccc(NC(=O)C(=O)N3CCN(C(=O)[O-])CC3)cc21 ZINC000828446526 604118791 /nfs/dbraw/zinc/11/87/91/604118791.db2.gz XCEFBIBTVYFYAH-UHFFFAOYSA-N -1 0 362.342 -0.198 20 0 FBADRM CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N2CC[C@H](NC(=O)[O-])C2)C1=O ZINC000828446629 605107948 /nfs/dbraw/zinc/10/79/48/605107948.db2.gz YUPHUAQMKYYNMI-AMJWSMQMSA-N -1 0 353.379 -0.242 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CC[C@@H](NC(=O)[O-])C2)C1=O ZINC000828446630 604609919 /nfs/dbraw/zinc/60/99/19/604609919.db2.gz YUPHUAQMKYYNMI-FCHSOHFDSA-N -1 0 353.379 -0.242 20 0 FBADRM CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N2CC[C@@H](NC(=O)[O-])C2)C1=O ZINC000828446631 604609960 /nfs/dbraw/zinc/60/99/60/604609960.db2.gz YUPHUAQMKYYNMI-FEUHOPSXSA-N -1 0 353.379 -0.242 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CC[C@H](NC(=O)[O-])C2)C1=O ZINC000828446632 605108619 /nfs/dbraw/zinc/10/86/19/605108619.db2.gz YUPHUAQMKYYNMI-FTGAXOIBSA-N -1 0 353.379 -0.242 20 0 FBADRM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)N2CC[C@H](NC(=O)[O-])C2)C1=O ZINC000828446633 605107889 /nfs/dbraw/zinc/10/78/89/605107889.db2.gz YUPHUAQMKYYNMI-HFBDOXOYSA-N -1 0 353.379 -0.242 20 0 FBADRM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)N2CC[C@@H](NC(=O)[O-])C2)C1=O ZINC000828446634 604609437 /nfs/dbraw/zinc/60/94/37/604609437.db2.gz YUPHUAQMKYYNMI-IQMDTDKHSA-N -1 0 353.379 -0.242 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CC[C@@H](NC(=O)[O-])C2)C1=O ZINC000828446635 604609431 /nfs/dbraw/zinc/60/94/31/604609431.db2.gz YUPHUAQMKYYNMI-WMFXKJRFSA-N -1 0 353.379 -0.242 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CC[C@H](NC(=O)[O-])C2)C1=O ZINC000828446636 605108468 /nfs/dbraw/zinc/10/84/68/605108468.db2.gz YUPHUAQMKYYNMI-YHAQOWFVSA-N -1 0 353.379 -0.242 20 0 FBADRM C[C@H]1CN(CCCNS(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@H](C)O1 ZINC000828449016 600700365 /nfs/dbraw/zinc/70/03/65/600700365.db2.gz ICJXNWCEBVLVEU-RYUDHWBXSA-N -1 0 360.436 -0.255 20 0 FBADRM C[C@@H]1CN(CCCNS(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@H](C)O1 ZINC000828449018 600700355 /nfs/dbraw/zinc/70/03/55/600700355.db2.gz ICJXNWCEBVLVEU-TXEJJXNPSA-N -1 0 360.436 -0.255 20 0 FBADRM C[C@@H]1CN(CCCNS(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@@H](C)O1 ZINC000828449020 600700276 /nfs/dbraw/zinc/70/02/76/600700276.db2.gz ICJXNWCEBVLVEU-VXGBXAGGSA-N -1 0 360.436 -0.255 20 0 FBADRM CN1CC(=O)N(CC(=O)N2CCC(OCCCNC(=O)[O-])CC2)C1=O ZINC000828452067 661127414 /nfs/dbraw/zinc/12/74/14/661127414.db2.gz NDXLJJVSJVRRAR-UHFFFAOYSA-N -1 0 356.379 -0.454 20 0 FBADRM CN1C[C@H](NC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)CC1=O ZINC000828452323 604179805 /nfs/dbraw/zinc/17/98/05/604179805.db2.gz OKWCSSYLHRUNDN-GHMZBOCLSA-N -1 0 355.395 -0.978 20 0 FBADRM CN1C[C@@H](NC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)CC1=O ZINC000828452326 604179651 /nfs/dbraw/zinc/17/96/51/604179651.db2.gz OKWCSSYLHRUNDN-MNOVXSKESA-N -1 0 355.395 -0.978 20 0 FBADRM CN1C[C@@H](NC(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)CC1=O ZINC000828452329 604179633 /nfs/dbraw/zinc/17/96/33/604179633.db2.gz OKWCSSYLHRUNDN-QWRGUYRKSA-N -1 0 355.395 -0.978 20 0 FBADRM CN1C[C@H](NC(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)CC1=O ZINC000828452330 604179547 /nfs/dbraw/zinc/17/95/47/604179547.db2.gz OKWCSSYLHRUNDN-WDEREUQCSA-N -1 0 355.395 -0.978 20 0 FBADRM CN1C[C@H](NC(=O)C(=O)Nc2cccc(OCCNC(=O)[O-])c2)CC1=O ZINC000828452340 603756636 /nfs/dbraw/zinc/75/66/36/603756636.db2.gz OPCCYPMJVZXTLD-LLVKDONJSA-N -1 0 364.358 -0.382 20 0 FBADRM CN1C[C@@H](NC(=O)C(=O)Nc2cccc(OCCNC(=O)[O-])c2)CC1=O ZINC000828452342 603756415 /nfs/dbraw/zinc/75/64/15/603756415.db2.gz OPCCYPMJVZXTLD-NSHDSACASA-N -1 0 364.358 -0.382 20 0 FBADRM C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@H]1N1CCOCC1 ZINC000828470113 601259535 /nfs/dbraw/zinc/25/95/35/601259535.db2.gz FHQLXNYZBKBFDM-GXTWGEPZSA-N -1 0 361.464 -0.320 20 0 FBADRM C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@@H]1N1CCOCC1 ZINC000828470114 601259487 /nfs/dbraw/zinc/25/94/87/601259487.db2.gz FHQLXNYZBKBFDM-JSGCOSHPSA-N -1 0 361.464 -0.320 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@@H]1N1CCOCC1 ZINC000828470115 601259364 /nfs/dbraw/zinc/25/93/64/601259364.db2.gz FHQLXNYZBKBFDM-OCCSQVGLSA-N -1 0 361.464 -0.320 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@H]1N1CCOCC1 ZINC000828470317 601259414 /nfs/dbraw/zinc/25/94/14/601259414.db2.gz FHQLXNYZBKBFDM-TZMCWYRMSA-N -1 0 361.464 -0.320 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCC(=O)[O-])CCN1c1nccn2cnnc12 ZINC000828470719 604814785 /nfs/dbraw/zinc/81/47/85/604814785.db2.gz IVEWHPRODNWUHZ-LLVKDONJSA-N -1 0 368.419 -0.171 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCC(=O)[O-])CCN1c1nccn2cnnc12 ZINC000828470734 604815123 /nfs/dbraw/zinc/81/51/23/604815123.db2.gz IVEWHPRODNWUHZ-NSHDSACASA-N -1 0 368.419 -0.171 20 0 FBADRM CC(C)S(=O)(=O)N1CC[C@@H](NC(=O)Cn2cc(C(=O)[O-])nn2)[C@H](C)C1 ZINC000828471117 601290306 /nfs/dbraw/zinc/29/03/06/601290306.db2.gz LEWIKXKELUIAMT-GHMZBOCLSA-N -1 0 373.435 -0.459 20 0 FBADRM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)Cn2cc(C(=O)[O-])nn2)[C@H](C)C1 ZINC000828471120 601290178 /nfs/dbraw/zinc/29/01/78/601290178.db2.gz LEWIKXKELUIAMT-MNOVXSKESA-N -1 0 373.435 -0.459 20 0 FBADRM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)Cn2cc(C(=O)[O-])nn2)[C@@H](C)C1 ZINC000828471121 601290241 /nfs/dbraw/zinc/29/02/41/601290241.db2.gz LEWIKXKELUIAMT-QWRGUYRKSA-N -1 0 373.435 -0.459 20 0 FBADRM CC(C)S(=O)(=O)N1CC[C@@H](NC(=O)Cn2cc(C(=O)[O-])nn2)[C@@H](C)C1 ZINC000828471122 601290175 /nfs/dbraw/zinc/29/01/75/601290175.db2.gz LEWIKXKELUIAMT-WDEREUQCSA-N -1 0 373.435 -0.459 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C[C@@H]1C(=O)[O-] ZINC000828479162 601587843 /nfs/dbraw/zinc/58/78/43/601587843.db2.gz KFBJOEYTEZUVIO-APPZFPTMSA-N -1 0 353.356 -0.442 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C[C@@H]1C(=O)[O-] ZINC000828479163 601587733 /nfs/dbraw/zinc/58/77/33/601587733.db2.gz KFBJOEYTEZUVIO-CBAPKCEASA-N -1 0 353.356 -0.442 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C[C@H]1C(=O)[O-] ZINC000828479164 601587736 /nfs/dbraw/zinc/58/77/36/601587736.db2.gz KFBJOEYTEZUVIO-IONNQARKSA-N -1 0 353.356 -0.442 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C[C@H]1C(=O)[O-] ZINC000828479165 601587633 /nfs/dbraw/zinc/58/76/33/601587633.db2.gz KFBJOEYTEZUVIO-VXNVDRBHSA-N -1 0 353.356 -0.442 20 0 FBADRM CN1CCC[C@H](NC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)C1=O ZINC000828480191 604048202 /nfs/dbraw/zinc/04/82/02/604048202.db2.gz DSJOXERERFHNTQ-NEPJUHHUSA-N -1 0 369.422 -0.587 20 0 FBADRM CN1CCC[C@@H](NC(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)C1=O ZINC000828480192 604048609 /nfs/dbraw/zinc/04/86/09/604048609.db2.gz DSJOXERERFHNTQ-NWDGAFQWSA-N -1 0 369.422 -0.587 20 0 FBADRM CN1CCC[C@H](NC(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)C1=O ZINC000828480193 604048382 /nfs/dbraw/zinc/04/83/82/604048382.db2.gz DSJOXERERFHNTQ-RYUDHWBXSA-N -1 0 369.422 -0.587 20 0 FBADRM CN1CCC[C@@H](NC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)C1=O ZINC000828480194 604048192 /nfs/dbraw/zinc/04/81/92/604048192.db2.gz DSJOXERERFHNTQ-VXGBXAGGSA-N -1 0 369.422 -0.587 20 0 FBADRM CN1CCC[C@@H](NC(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)C1=O ZINC000828480571 603962175 /nfs/dbraw/zinc/96/21/75/603962175.db2.gz HPMXWPXUFSNMPQ-LLVKDONJSA-N -1 0 350.379 -0.056 20 0 FBADRM CN1CCC[C@H](NC(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)C1=O ZINC000828480572 603962121 /nfs/dbraw/zinc/96/21/21/603962121.db2.gz HPMXWPXUFSNMPQ-NSHDSACASA-N -1 0 350.379 -0.056 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C[C@H]1C(=O)[O-] ZINC000828485239 601592133 /nfs/dbraw/zinc/59/21/33/601592133.db2.gz FMPBVGXYQNHGTK-GMSGAONNSA-N -1 0 368.371 -0.625 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C[C@H]1C(=O)[O-] ZINC000828485240 601592185 /nfs/dbraw/zinc/59/21/85/601592185.db2.gz FMPBVGXYQNHGTK-OIBJUYFYSA-N -1 0 368.371 -0.625 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C[C@@H]1C(=O)[O-] ZINC000828485241 601592300 /nfs/dbraw/zinc/59/23/00/601592300.db2.gz FMPBVGXYQNHGTK-XCBNKYQSSA-N -1 0 368.371 -0.625 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C[C@@H]1C(=O)[O-] ZINC000828485243 601592196 /nfs/dbraw/zinc/59/21/96/601592196.db2.gz FMPBVGXYQNHGTK-XVKPBYJWSA-N -1 0 368.371 -0.625 20 0 FBADRM CN1CCN(C(=O)C(=O)Nc2cccc(OCCNC(=O)[O-])c2)CC1=O ZINC000828486057 603762530 /nfs/dbraw/zinc/76/25/30/603762530.db2.gz BFUIHMAVEXQRIZ-UHFFFAOYSA-N -1 0 364.358 -0.428 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NCCSCC(=O)[O-] ZINC000828486252 601334148 /nfs/dbraw/zinc/33/41/48/601334148.db2.gz LSZSKMDQYNYMLC-NXEZZACHSA-N -1 0 353.466 -0.227 20 0 FBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NCCSCC(=O)[O-] ZINC000828486254 601334270 /nfs/dbraw/zinc/33/42/70/601334270.db2.gz LSZSKMDQYNYMLC-UWVGGRQHSA-N -1 0 353.466 -0.227 20 0 FBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NCCSCC(=O)[O-] ZINC000828486255 601334275 /nfs/dbraw/zinc/33/42/75/601334275.db2.gz LSZSKMDQYNYMLC-VHSXEESVSA-N -1 0 353.466 -0.227 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NCCSCC(=O)[O-] ZINC000828486257 601334314 /nfs/dbraw/zinc/33/43/14/601334314.db2.gz LSZSKMDQYNYMLC-ZJUUUORDSA-N -1 0 353.466 -0.227 20 0 FBADRM CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)CC1=O ZINC000828486484 603762794 /nfs/dbraw/zinc/76/27/94/603762794.db2.gz CNZRPTMJHYTKLG-UHFFFAOYSA-N -1 0 360.370 -0.038 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000828486756 601265932 /nfs/dbraw/zinc/26/59/32/601265932.db2.gz NTKUBIFVCWTREF-PSASIEDQSA-N -1 0 365.433 -0.339 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000828486757 601265828 /nfs/dbraw/zinc/26/58/28/601265828.db2.gz NTKUBIFVCWTREF-SCZZXKLOSA-N -1 0 365.433 -0.339 20 0 FBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000828486758 601265775 /nfs/dbraw/zinc/26/57/75/601265775.db2.gz NTKUBIFVCWTREF-WCBMZHEXSA-N -1 0 365.433 -0.339 20 0 FBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000828486759 601265717 /nfs/dbraw/zinc/26/57/17/601265717.db2.gz NTKUBIFVCWTREF-WPRPVWTQSA-N -1 0 365.433 -0.339 20 0 FBADRM CN1CCCC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828487169 603737186 /nfs/dbraw/zinc/73/71/86/603737186.db2.gz IAEZJZHVCKKSKH-CYBMUJFWSA-N -1 0 374.463 -0.693 20 0 FBADRM CN1CCCC[C@H]1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828487172 603737101 /nfs/dbraw/zinc/73/71/01/603737101.db2.gz IAEZJZHVCKKSKH-ZDUSSCGKSA-N -1 0 374.463 -0.693 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000828487425 601780673 /nfs/dbraw/zinc/78/06/73/601780673.db2.gz RBBHEGQSSQEEBF-GRYCIOLGSA-N -1 0 363.436 -0.459 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000828487427 601780699 /nfs/dbraw/zinc/78/06/99/601780699.db2.gz RBBHEGQSSQEEBF-IJLUTSLNSA-N -1 0 363.436 -0.459 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000828487430 601780687 /nfs/dbraw/zinc/78/06/87/601780687.db2.gz RBBHEGQSSQEEBF-UTUOFQBUSA-N -1 0 363.436 -0.459 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000828487431 601780641 /nfs/dbraw/zinc/78/06/41/601780641.db2.gz RBBHEGQSSQEEBF-WOPDTQHZSA-N -1 0 363.436 -0.459 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@@H]1N1CCOCC1 ZINC000828487965 601259031 /nfs/dbraw/zinc/25/90/31/601259031.db2.gz SVYIQFXXVWPLRP-AAEUAGOBSA-N -1 0 358.420 -0.691 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@H]1N1CCOCC1 ZINC000828487967 601258931 /nfs/dbraw/zinc/25/89/31/601258931.db2.gz SVYIQFXXVWPLRP-DGCLKSJQSA-N -1 0 358.420 -0.691 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@H]1N1CCOCC1 ZINC000828487969 601258979 /nfs/dbraw/zinc/25/89/79/601258979.db2.gz SVYIQFXXVWPLRP-WCQYABFASA-N -1 0 358.420 -0.691 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@@H]1N1CCOCC1 ZINC000828487971 601259097 /nfs/dbraw/zinc/25/90/97/601259097.db2.gz SVYIQFXXVWPLRP-YPMHNXCESA-N -1 0 358.420 -0.691 20 0 FBADRM CN1CCN(C(=O)C(=O)NCc2ccc(F)cc2)[C@H](CNC(=O)[O-])C1 ZINC000828488353 604407664 /nfs/dbraw/zinc/40/76/64/604407664.db2.gz NCIQPGGZDOXWAX-CYBMUJFWSA-N -1 0 352.366 -0.148 20 0 FBADRM CN1CCN(C(=O)C(=O)NCc2ccc(F)cc2)[C@@H](CNC(=O)[O-])C1 ZINC000828488355 604407732 /nfs/dbraw/zinc/40/77/32/604407732.db2.gz NCIQPGGZDOXWAX-ZDUSSCGKSA-N -1 0 352.366 -0.148 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000828488970 601265287 /nfs/dbraw/zinc/26/52/87/601265287.db2.gz XIUWXYNYOJPZCX-BDAKNGLRSA-N -1 0 366.417 -0.074 20 0 FBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000828488972 601265041 /nfs/dbraw/zinc/26/50/41/601265041.db2.gz XIUWXYNYOJPZCX-DTWKUNHWSA-N -1 0 366.417 -0.074 20 0 FBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000828488974 601265138 /nfs/dbraw/zinc/26/51/38/601265138.db2.gz XIUWXYNYOJPZCX-IUCAKERBSA-N -1 0 366.417 -0.074 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000828488976 601265060 /nfs/dbraw/zinc/26/50/60/601265060.db2.gz XIUWXYNYOJPZCX-RKDXNWHRSA-N -1 0 366.417 -0.074 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000828489092 601131475 /nfs/dbraw/zinc/13/14/75/601131475.db2.gz YLDGVCCBZMLYKJ-NXEZZACHSA-N -1 0 359.408 -0.241 20 0 FBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000828489099 601131415 /nfs/dbraw/zinc/13/14/15/601131415.db2.gz YLDGVCCBZMLYKJ-UWVGGRQHSA-N -1 0 359.408 -0.241 20 0 FBADRM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000828489103 601131505 /nfs/dbraw/zinc/13/15/05/601131505.db2.gz YLDGVCCBZMLYKJ-VHSXEESVSA-N -1 0 359.408 -0.241 20 0 FBADRM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000828489106 601131550 /nfs/dbraw/zinc/13/15/50/601131550.db2.gz YLDGVCCBZMLYKJ-ZJUUUORDSA-N -1 0 359.408 -0.241 20 0 FBADRM CN1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H](CNC(=O)[O-])C1 ZINC000828489690 604407607 /nfs/dbraw/zinc/40/76/07/604407607.db2.gz VGBRGNOEINQHBT-CMPLNLGQSA-N -1 0 350.379 -0.827 20 0 FBADRM CN1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@@H](CNC(=O)[O-])C1 ZINC000828489701 604407428 /nfs/dbraw/zinc/40/74/28/604407428.db2.gz VGBRGNOEINQHBT-JQWIXIFHSA-N -1 0 350.379 -0.827 20 0 FBADRM CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@@H](CNC(=O)[O-])C1 ZINC000828489704 604407531 /nfs/dbraw/zinc/40/75/31/604407531.db2.gz VGBRGNOEINQHBT-PWSUYJOCSA-N -1 0 350.379 -0.827 20 0 FBADRM CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H](CNC(=O)[O-])C1 ZINC000828489706 604407519 /nfs/dbraw/zinc/40/75/19/604407519.db2.gz VGBRGNOEINQHBT-ZYHUDNBSSA-N -1 0 350.379 -0.827 20 0 FBADRM CN1CCN(C(=O)C(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)CC1=O ZINC000828489770 603762668 /nfs/dbraw/zinc/76/26/68/603762668.db2.gz WAJUENCDYVRZJE-UHFFFAOYSA-N -1 0 360.370 -0.038 20 0 FBADRM CN1CCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)[C@H](CNC(=O)[O-])C1 ZINC000828490032 604409546 /nfs/dbraw/zinc/40/95/46/604409546.db2.gz XPCIVKKDKXWWAX-NXEZZACHSA-N -1 0 366.340 -0.193 20 0 FBADRM CN1CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)[C@@H](CNC(=O)[O-])C1 ZINC000828490033 604409736 /nfs/dbraw/zinc/40/97/36/604409736.db2.gz XPCIVKKDKXWWAX-UWVGGRQHSA-N -1 0 366.340 -0.193 20 0 FBADRM CN1CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)[C@H](CNC(=O)[O-])C1 ZINC000828490034 604410581 /nfs/dbraw/zinc/41/05/81/604410581.db2.gz XPCIVKKDKXWWAX-VHSXEESVSA-N -1 0 366.340 -0.193 20 0 FBADRM CN1CCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)[C@@H](CNC(=O)[O-])C1 ZINC000828490035 604410566 /nfs/dbraw/zinc/41/05/66/604410566.db2.gz XPCIVKKDKXWWAX-ZJUUUORDSA-N -1 0 366.340 -0.193 20 0 FBADRM C[C@@H]1CN(c2ccc(CNC(=O)Cn3cc(C(=O)[O-])nn3)cn2)CCO1 ZINC000828493459 601276557 /nfs/dbraw/zinc/27/65/57/601276557.db2.gz FFJXAGSXGWUGCY-LLVKDONJSA-N -1 0 360.374 -0.087 20 0 FBADRM C[C@H]1CN(c2ccc(CNC(=O)Cn3cc(C(=O)[O-])nn3)cn2)CCO1 ZINC000828493460 601276573 /nfs/dbraw/zinc/27/65/73/601276573.db2.gz FFJXAGSXGWUGCY-NSHDSACASA-N -1 0 360.374 -0.087 20 0 FBADRM CN(C(=O)NCCC(=O)N1CCN(C)CC1)C1CCN(C(=O)[O-])CC1 ZINC000828493774 604025142 /nfs/dbraw/zinc/02/51/42/604025142.db2.gz CPBWDPRBSPIVDK-UHFFFAOYSA-N -1 0 355.439 -0.066 20 0 FBADRM CN1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)[C@@H](CNC(=O)[O-])C1 ZINC000828493914 604400680 /nfs/dbraw/zinc/40/06/80/604400680.db2.gz FLCZDKPSHZSTDQ-CSJGVYOVSA-N -1 0 367.406 -0.835 20 0 FBADRM CN1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)[C@H](CNC(=O)[O-])C1 ZINC000828493915 604400765 /nfs/dbraw/zinc/40/07/65/604400765.db2.gz FLCZDKPSHZSTDQ-NOEPWBJOSA-N -1 0 367.406 -0.835 20 0 FBADRM CN(C)C(=O)N1CCC(C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])CC1 ZINC000828493982 603521034 /nfs/dbraw/zinc/52/10/34/603521034.db2.gz GACPSGVTTFVBCZ-CYBMUJFWSA-N -1 0 355.439 -0.210 20 0 FBADRM CN(C)C(=O)N1CCC(C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])CC1 ZINC000828493986 603521368 /nfs/dbraw/zinc/52/13/68/603521368.db2.gz GACPSGVTTFVBCZ-ZDUSSCGKSA-N -1 0 355.439 -0.210 20 0 FBADRM CN1CC(=O)N(CCCC(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])C1=O ZINC000828494003 603513402 /nfs/dbraw/zinc/51/34/02/603513402.db2.gz GGEIZFCMGZPGEY-LLVKDONJSA-N -1 0 355.395 -0.929 20 0 FBADRM CN1CC(=O)N(CCCC(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])C1=O ZINC000828494005 603513617 /nfs/dbraw/zinc/51/36/17/603513617.db2.gz GGEIZFCMGZPGEY-NSHDSACASA-N -1 0 355.395 -0.929 20 0 FBADRM CN1CCN(C(=O)C2CCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)CC2)CC1 ZINC000828494073 604712491 /nfs/dbraw/zinc/71/24/91/604712491.db2.gz GTMIKKZJKBKIAM-AWEZNQCLSA-N -1 0 368.434 -0.622 20 0 FBADRM CN1CCN(C(=O)C2CCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)CC2)CC1 ZINC000828494075 604712537 /nfs/dbraw/zinc/71/25/37/604712537.db2.gz GTMIKKZJKBKIAM-CQSZACIVSA-N -1 0 368.434 -0.622 20 0 FBADRM CN1CCN(C(=O)C2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])CC2)CC1 ZINC000828494150 603659644 /nfs/dbraw/zinc/65/96/44/603659644.db2.gz HPZZCIFFBDJJBZ-KBPBESRZSA-N -1 0 368.434 -0.888 20 0 FBADRM CN1CCN(C(=O)C2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])CC2)CC1 ZINC000828494151 603659817 /nfs/dbraw/zinc/65/98/17/603659817.db2.gz HPZZCIFFBDJJBZ-KGLIPLIRSA-N -1 0 368.434 -0.888 20 0 FBADRM CN1CCN(C(=O)C2CCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])CC2)CC1 ZINC000828494152 603659808 /nfs/dbraw/zinc/65/98/08/603659808.db2.gz HPZZCIFFBDJJBZ-UONOGXRCSA-N -1 0 368.434 -0.888 20 0 FBADRM CN1CCN(C(=O)C2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])CC2)CC1 ZINC000828494153 603659969 /nfs/dbraw/zinc/65/99/69/603659969.db2.gz HPZZCIFFBDJJBZ-ZIAGYGMSSA-N -1 0 368.434 -0.888 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)C[C@@H]2CSCCN2C(=O)[O-])CC1 ZINC000828494261 605612199 /nfs/dbraw/zinc/61/21/99/605612199.db2.gz IUQXENWCRXFYSM-GFCCVEGCSA-N -1 0 358.464 -0.248 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)C[C@H]2CSCCN2C(=O)[O-])CC1 ZINC000828494265 605612273 /nfs/dbraw/zinc/61/22/73/605612273.db2.gz IUQXENWCRXFYSM-LBPRGKRZSA-N -1 0 358.464 -0.248 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000828494453 605719208 /nfs/dbraw/zinc/71/92/08/605719208.db2.gz JOYXLXLMYQFHPE-CYBMUJFWSA-N -1 0 356.423 -0.574 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000828494455 605719894 /nfs/dbraw/zinc/71/98/94/605719894.db2.gz JOYXLXLMYQFHPE-ZDUSSCGKSA-N -1 0 356.423 -0.574 20 0 FBADRM CN1CCN(C(=O)C2CCN(C(=O)CC3CN(C(=O)[O-])C3)CC2)CC1 ZINC000828494533 603659718 /nfs/dbraw/zinc/65/97/18/603659718.db2.gz KSBSMOAWIFGRDP-UHFFFAOYSA-N -1 0 352.435 -0.001 20 0 FBADRM CN1CCN(C(=O)C2CCN(C(=O)COC3CN(C(=O)[O-])C3)CC2)CC1 ZINC000828494835 603976932 /nfs/dbraw/zinc/97/69/32/603976932.db2.gz LVZQEUVFEFYSBX-UHFFFAOYSA-N -1 0 368.434 -0.622 20 0 FBADRM CN1CCN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)[C@H](CNC(=O)[O-])C1 ZINC000828494917 603520813 /nfs/dbraw/zinc/52/08/13/603520813.db2.gz NAZMNALYXGHUHB-LLVKDONJSA-N -1 0 369.422 -0.493 20 0 FBADRM CN1CCN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828494918 603521374 /nfs/dbraw/zinc/52/13/74/603521374.db2.gz NAZMNALYXGHUHB-NSHDSACASA-N -1 0 369.422 -0.493 20 0 FBADRM CN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@H](CNC(=O)[O-])C1 ZINC000828495185 603520698 /nfs/dbraw/zinc/52/06/98/603520698.db2.gz OOBBDLQLOPFBBW-GFCCVEGCSA-N -1 0 362.452 -0.932 20 0 FBADRM CN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@@H](CNC(=O)[O-])C1 ZINC000828495186 603520556 /nfs/dbraw/zinc/52/05/56/603520556.db2.gz OOBBDLQLOPFBBW-LBPRGKRZSA-N -1 0 362.452 -0.932 20 0 FBADRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000828495301 600872381 /nfs/dbraw/zinc/87/23/81/600872381.db2.gz VMRQAVNTXIOAAG-LLVKDONJSA-N -1 0 372.385 -0.188 20 0 FBADRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000828495302 600872393 /nfs/dbraw/zinc/87/23/93/600872393.db2.gz VMRQAVNTXIOAAG-NSHDSACASA-N -1 0 372.385 -0.188 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CC1 ZINC000828495401 603789917 /nfs/dbraw/zinc/78/99/17/603789917.db2.gz PUIPKVJWKBJBIY-UHFFFAOYSA-N -1 0 369.466 -0.659 20 0 FBADRM CN1CCN(C(=O)CC2CCN(C(=O)NC3CN(C(=O)[O-])C3)CC2)CC1 ZINC000828496188 604613160 /nfs/dbraw/zinc/61/31/60/604613160.db2.gz VFNMTWOSNXESAG-UHFFFAOYSA-N -1 0 367.450 -0.066 20 0 FBADRM CN1CCN(C(=O)C2CCN(C(=O)NC3CN(C(=O)[O-])C3)CC2)CC1 ZINC000828496762 604617750 /nfs/dbraw/zinc/61/77/50/604617750.db2.gz YWQAJLCRQZFQJE-UHFFFAOYSA-N -1 0 353.423 -0.456 20 0 FBADRM CN1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)[C@H](CNC(=O)[O-])C1 ZINC000828499819 604401451 /nfs/dbraw/zinc/40/14/51/604401451.db2.gz APNXKKCFCFTZBS-GFCCVEGCSA-N -1 0 370.431 -0.713 20 0 FBADRM CN1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)[C@@H](CNC(=O)[O-])C1 ZINC000828499821 604401735 /nfs/dbraw/zinc/40/17/35/604401735.db2.gz APNXKKCFCFTZBS-LBPRGKRZSA-N -1 0 370.431 -0.713 20 0 FBADRM C[C@H]1CN=C(N2CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC2)S1 ZINC000828499825 601264119 /nfs/dbraw/zinc/26/41/19/601264119.db2.gz IUWMMEUJOJFALX-JTQLQIEISA-N -1 0 350.466 -0.253 20 0 FBADRM C[C@@H]1CN=C(N2CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC2)S1 ZINC000828499827 601264377 /nfs/dbraw/zinc/26/43/77/601264377.db2.gz IUWMMEUJOJFALX-SNVBAGLBSA-N -1 0 350.466 -0.253 20 0 FBADRM CN1CCN(C(=O)CCOc2ccc(C(N)=O)cc2)[C@H](CNC(=O)[O-])C1 ZINC000828499928 604409139 /nfs/dbraw/zinc/40/91/39/604409139.db2.gz BWVPCRKZSKBQJV-CYBMUJFWSA-N -1 0 364.402 -0.035 20 0 FBADRM CN1CCN(C(=O)CCOc2ccc(C(N)=O)cc2)[C@@H](CNC(=O)[O-])C1 ZINC000828499930 604409217 /nfs/dbraw/zinc/40/92/17/604409217.db2.gz BWVPCRKZSKBQJV-ZDUSSCGKSA-N -1 0 364.402 -0.035 20 0 FBADRM CN1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@@H](CNC(=O)[O-])C1 ZINC000828499986 604407659 /nfs/dbraw/zinc/40/76/59/604407659.db2.gz CUOYRFWXKIEDCQ-JTQLQIEISA-N -1 0 350.441 -0.886 20 0 FBADRM CN1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@H](CNC(=O)[O-])C1 ZINC000828499988 604407479 /nfs/dbraw/zinc/40/74/79/604407479.db2.gz CUOYRFWXKIEDCQ-SNVBAGLBSA-N -1 0 350.441 -0.886 20 0 FBADRM CN1CCN(C(=O)CNC(=O)OCC(F)(F)F)[C@H](CNC(=O)[O-])C1 ZINC000828500010 603502388 /nfs/dbraw/zinc/50/23/88/603502388.db2.gz DFDJBRVTWMPJGT-MRVPVSSYSA-N -1 0 356.301 -0.315 20 0 FBADRM CN1CCN(C(=O)CNC(=O)OCC(F)(F)F)[C@@H](CNC(=O)[O-])C1 ZINC000828500015 603502574 /nfs/dbraw/zinc/50/25/74/603502574.db2.gz DFDJBRVTWMPJGT-QMMMGPOBSA-N -1 0 356.301 -0.315 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])CC1 ZINC000828500168 603992414 /nfs/dbraw/zinc/99/24/14/603992414.db2.gz GKVMONHABFWZOI-CHWSQXEVSA-N -1 0 355.439 -0.114 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])CC1 ZINC000828500170 603992137 /nfs/dbraw/zinc/99/21/37/603992137.db2.gz GKVMONHABFWZOI-OLZOCXBDSA-N -1 0 355.439 -0.114 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])CC1 ZINC000828500171 603992184 /nfs/dbraw/zinc/99/21/84/603992184.db2.gz GKVMONHABFWZOI-QWHCGFSZSA-N -1 0 355.439 -0.114 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])CC1 ZINC000828500172 603992058 /nfs/dbraw/zinc/99/20/58/603992058.db2.gz GKVMONHABFWZOI-STQMWFEESA-N -1 0 355.439 -0.114 20 0 FBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000828500191 603523173 /nfs/dbraw/zinc/52/31/73/603523173.db2.gz GUIDMOFCVBDVKF-CYBMUJFWSA-N -1 0 356.423 -0.622 20 0 FBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000828500192 603523429 /nfs/dbraw/zinc/52/34/29/603523429.db2.gz GUIDMOFCVBDVKF-ZDUSSCGKSA-N -1 0 356.423 -0.622 20 0 FBADRM CN1CCN(C(=O)COc2ccc(C(N)=O)cc2)[C@H](CNC(=O)[O-])C1 ZINC000828500223 603510230 /nfs/dbraw/zinc/51/02/30/603510230.db2.gz HLWSPJLYGSCWJR-GFCCVEGCSA-N -1 0 350.375 -0.426 20 0 FBADRM CN1CCN(C(=O)COc2ccc(C(N)=O)cc2)[C@@H](CNC(=O)[O-])C1 ZINC000828500225 603510631 /nfs/dbraw/zinc/51/06/31/603510631.db2.gz HLWSPJLYGSCWJR-LBPRGKRZSA-N -1 0 350.375 -0.426 20 0 FBADRM CN(CC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-])c1ncnc2nc[nH]c21 ZINC000828500250 604398494 /nfs/dbraw/zinc/39/84/94/604398494.db2.gz HTGPPAIVAFUZNL-JTQLQIEISA-N -1 0 362.394 -0.801 20 0 FBADRM CN(CC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-])c1ncnc2nc[nH]c21 ZINC000828500252 604398378 /nfs/dbraw/zinc/39/83/78/604398378.db2.gz HTGPPAIVAFUZNL-SNVBAGLBSA-N -1 0 362.394 -0.801 20 0 FBADRM CN1CCN(C(=O)CNC(=O)COc2ccccc2)[C@H](CNC(=O)[O-])C1 ZINC000828500268 604394731 /nfs/dbraw/zinc/39/47/31/604394731.db2.gz HXDOYCRHJNOKSS-CYBMUJFWSA-N -1 0 364.402 -0.408 20 0 FBADRM CN1CCN(C(=O)CNC(=O)COc2ccccc2)[C@@H](CNC(=O)[O-])C1 ZINC000828500269 604394970 /nfs/dbraw/zinc/39/49/70/604394970.db2.gz HXDOYCRHJNOKSS-ZDUSSCGKSA-N -1 0 364.402 -0.408 20 0 FBADRM CN1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)[C@H](CNC(=O)[O-])C1 ZINC000828500315 604403111 /nfs/dbraw/zinc/40/31/11/604403111.db2.gz IWYLMPIEKNJGNR-BDJLRTHQSA-N -1 0 367.406 -0.883 20 0 FBADRM CN1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)[C@H](CNC(=O)[O-])C1 ZINC000828500318 604403168 /nfs/dbraw/zinc/40/31/68/604403168.db2.gz IWYLMPIEKNJGNR-BZNIZROVSA-N -1 0 367.406 -0.883 20 0 FBADRM CN1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828500320 604403022 /nfs/dbraw/zinc/40/30/22/604403022.db2.gz IWYLMPIEKNJGNR-MEDUHNTESA-N -1 0 367.406 -0.883 20 0 FBADRM CN1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828500322 604403437 /nfs/dbraw/zinc/40/34/37/604403437.db2.gz IWYLMPIEKNJGNR-ZBEGNZNMSA-N -1 0 367.406 -0.883 20 0 FBADRM CN1CCN(C(=O)CNC(=O)Cc2cccc(F)c2)[C@@H](CNC(=O)[O-])C1 ZINC000828500464 603515554 /nfs/dbraw/zinc/51/55/54/603515554.db2.gz KZXJAYZLRKIAGB-AWEZNQCLSA-N -1 0 366.393 -0.105 20 0 FBADRM CN1CCN(C(=O)CNC(=O)Cc2cccc(F)c2)[C@H](CNC(=O)[O-])C1 ZINC000828500467 603515806 /nfs/dbraw/zinc/51/58/06/603515806.db2.gz KZXJAYZLRKIAGB-CQSZACIVSA-N -1 0 366.393 -0.105 20 0 FBADRM CN1CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)[C@H](CNC(=O)[O-])C1 ZINC000828500495 603520548 /nfs/dbraw/zinc/52/05/48/603520548.db2.gz LIUMNDFIXKXTBE-GHMZBOCLSA-N -1 0 365.477 -0.683 20 0 FBADRM CN1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)[C@H](CNC(=O)[O-])C1 ZINC000828500497 603520663 /nfs/dbraw/zinc/52/06/63/603520663.db2.gz LIUMNDFIXKXTBE-MNOVXSKESA-N -1 0 365.477 -0.683 20 0 FBADRM CN1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)[C@@H](CNC(=O)[O-])C1 ZINC000828500498 603520706 /nfs/dbraw/zinc/52/07/06/603520706.db2.gz LIUMNDFIXKXTBE-QWRGUYRKSA-N -1 0 365.477 -0.683 20 0 FBADRM CN1CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)[C@@H](CNC(=O)[O-])C1 ZINC000828500500 603521007 /nfs/dbraw/zinc/52/10/07/603521007.db2.gz LIUMNDFIXKXTBE-WDEREUQCSA-N -1 0 365.477 -0.683 20 0 FBADRM CN1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)[C@@H](CNC(=O)[O-])C1 ZINC000828500748 603502626 /nfs/dbraw/zinc/50/26/26/603502626.db2.gz OJPODVHTMLTSNC-AWEZNQCLSA-N -1 0 359.390 -0.385 20 0 FBADRM CN1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)[C@H](CNC(=O)[O-])C1 ZINC000828500749 603502464 /nfs/dbraw/zinc/50/24/64/603502464.db2.gz OJPODVHTMLTSNC-CQSZACIVSA-N -1 0 359.390 -0.385 20 0 FBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000828500754 605599482 /nfs/dbraw/zinc/59/94/82/605599482.db2.gz OMXOZMQFDQWCKT-GFCCVEGCSA-N -1 0 358.464 -0.296 20 0 FBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000828500755 605599341 /nfs/dbraw/zinc/59/93/41/605599341.db2.gz OMXOZMQFDQWCKT-LBPRGKRZSA-N -1 0 358.464 -0.296 20 0 FBADRM CN1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)[C@H](CNC(=O)[O-])C1 ZINC000828500955 604400000 /nfs/dbraw/zinc/40/00/00/604400000.db2.gz RWCWIGAXWDXSIE-LLVKDONJSA-N -1 0 367.406 -0.739 20 0 FBADRM CN1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828500956 604399661 /nfs/dbraw/zinc/39/96/61/604399661.db2.gz RWCWIGAXWDXSIE-NSHDSACASA-N -1 0 367.406 -0.739 20 0 FBADRM CN1CCN(C(=O)CCc2nc(-c3nc[nH]n3)no2)[C@H](CNC(=O)[O-])C1 ZINC000828501009 604403514 /nfs/dbraw/zinc/40/35/14/604403514.db2.gz SOUBWGDVWCZWAJ-SECBINFHSA-N -1 0 364.366 -0.803 20 0 FBADRM CN1CCN(C(=O)CCc2nc(-c3nc[nH]n3)no2)[C@@H](CNC(=O)[O-])C1 ZINC000828501010 604403061 /nfs/dbraw/zinc/40/30/61/604403061.db2.gz SOUBWGDVWCZWAJ-VIFPVBQESA-N -1 0 364.366 -0.803 20 0 FBADRM CN1CCN(C(=O)CSc2nnnn2C2CC2)[C@@H](CNC(=O)[O-])C1 ZINC000828501050 603505198 /nfs/dbraw/zinc/50/51/98/603505198.db2.gz UJVSHBQKBOZYCP-JTQLQIEISA-N -1 0 355.424 -0.490 20 0 FBADRM CN1CCN(C(=O)CSc2nnnn2C2CC2)[C@H](CNC(=O)[O-])C1 ZINC000828501051 603505285 /nfs/dbraw/zinc/50/52/85/603505285.db2.gz UJVSHBQKBOZYCP-SNVBAGLBSA-N -1 0 355.424 -0.490 20 0 FBADRM CN1CCN(C(=O)CCOc2cccc(C(N)=O)c2)[C@H](CNC(=O)[O-])C1 ZINC000828501077 604405111 /nfs/dbraw/zinc/40/51/11/604405111.db2.gz VBJKSNAWRLWHPH-CYBMUJFWSA-N -1 0 364.402 -0.035 20 0 FBADRM CN1CCN(C(=O)CCOc2cccc(C(N)=O)c2)[C@@H](CNC(=O)[O-])C1 ZINC000828501078 604404782 /nfs/dbraw/zinc/40/47/82/604404782.db2.gz VBJKSNAWRLWHPH-ZDUSSCGKSA-N -1 0 364.402 -0.035 20 0 FBADRM CN1CCN(C(=O)CNC(=O)NCc2ccco2)[C@H](CNC(=O)[O-])C1 ZINC000828501455 603513586 /nfs/dbraw/zinc/51/35/86/603513586.db2.gz WITNQTUBFIBYBM-LLVKDONJSA-N -1 0 353.379 -0.511 20 0 FBADRM CN1CCN(C(=O)CNC(=O)NCc2ccco2)[C@@H](CNC(=O)[O-])C1 ZINC000828501475 603513253 /nfs/dbraw/zinc/51/32/53/603513253.db2.gz WITNQTUBFIBYBM-NSHDSACASA-N -1 0 353.379 -0.511 20 0 FBADRM CN1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)[C@H](CNC(=O)[O-])C1 ZINC000828501484 603518404 /nfs/dbraw/zinc/51/84/04/603518404.db2.gz WMORHBWZQAXJCI-JHJVBQTASA-N -1 0 366.418 -0.428 20 0 FBADRM CN1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828501488 603518371 /nfs/dbraw/zinc/51/83/71/603518371.db2.gz WMORHBWZQAXJCI-RWMBFGLXSA-N -1 0 366.418 -0.428 20 0 FBADRM CN1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)[C@H](CNC(=O)[O-])C1 ZINC000828501490 603518099 /nfs/dbraw/zinc/51/80/99/603518099.db2.gz WMORHBWZQAXJCI-UPJWGTAASA-N -1 0 366.418 -0.428 20 0 FBADRM CN1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828501492 603518809 /nfs/dbraw/zinc/51/88/09/603518809.db2.gz WMORHBWZQAXJCI-YNEHKIRRSA-N -1 0 366.418 -0.428 20 0 FBADRM CN1CCN(C(=O)CNC(=O)c2cccc(F)c2)[C@H](CNC(=O)[O-])C1 ZINC000828501568 604632188 /nfs/dbraw/zinc/63/21/88/604632188.db2.gz WXQGLRMAOJZSBG-CYBMUJFWSA-N -1 0 352.366 -0.034 20 0 FBADRM CN1CCN(C(=O)CNC(=O)c2cccc(F)c2)[C@@H](CNC(=O)[O-])C1 ZINC000828501570 604632261 /nfs/dbraw/zinc/63/22/61/604632261.db2.gz WXQGLRMAOJZSBG-ZDUSSCGKSA-N -1 0 352.366 -0.034 20 0 FBADRM CN1CCN(C(=O)CN2C(=O)COc3ccccc32)[C@H](CNC(=O)[O-])C1 ZINC000828501867 603504901 /nfs/dbraw/zinc/50/49/01/603504901.db2.gz YFXUSGUYXNWSQE-GFCCVEGCSA-N -1 0 362.386 -0.178 20 0 FBADRM CN1CCN(C(=O)CN2C(=O)COc3ccccc32)[C@@H](CNC(=O)[O-])C1 ZINC000828501868 603505459 /nfs/dbraw/zinc/50/54/59/603505459.db2.gz YFXUSGUYXNWSQE-LBPRGKRZSA-N -1 0 362.386 -0.178 20 0 FBADRM CN(C[C@H]1CCCN1C(=O)NCCC(=O)N1CCN(C)CC1)C(=O)[O-] ZINC000828501889 603992204 /nfs/dbraw/zinc/99/22/04/603992204.db2.gz YROBIAMDLREZFZ-CYBMUJFWSA-N -1 0 355.439 -0.066 20 0 FBADRM CN(C[C@@H]1CCCN1C(=O)NCCC(=O)N1CCN(C)CC1)C(=O)[O-] ZINC000828501890 603992376 /nfs/dbraw/zinc/99/23/76/603992376.db2.gz YROBIAMDLREZFZ-ZDUSSCGKSA-N -1 0 355.439 -0.066 20 0 FBADRM CN1CCN(C(=O)CCn2nnc3ccccc3c2=O)[C@H](CNC(=O)[O-])C1 ZINC000828501903 603518049 /nfs/dbraw/zinc/51/80/49/603518049.db2.gz YXFXAHFBVMMTTJ-GFCCVEGCSA-N -1 0 374.401 -0.408 20 0 FBADRM CN1CCN(C(=O)CCn2nnc3ccccc3c2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828501905 603518192 /nfs/dbraw/zinc/51/81/92/603518192.db2.gz YXFXAHFBVMMTTJ-LBPRGKRZSA-N -1 0 374.401 -0.408 20 0 FBADRM CN1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)[C@H](CNC(=O)[O-])C1 ZINC000828501929 604410320 /nfs/dbraw/zinc/41/03/20/604410320.db2.gz ZEVMBWAZNNWNFR-LLVKDONJSA-N -1 0 360.370 -0.307 20 0 FBADRM CN1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828501932 604410400 /nfs/dbraw/zinc/41/04/00/604410400.db2.gz ZEVMBWAZNNWNFR-NSHDSACASA-N -1 0 360.370 -0.307 20 0 FBADRM CN1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](CNC(=O)[O-])C1 ZINC000828506065 605452074 /nfs/dbraw/zinc/45/20/74/605452074.db2.gz CQWNTAPFZOMZJZ-LLVKDONJSA-N -1 0 371.419 -0.251 20 0 FBADRM CN1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H](CNC(=O)[O-])C1 ZINC000828506066 605452441 /nfs/dbraw/zinc/45/24/41/605452441.db2.gz CQWNTAPFZOMZJZ-NSHDSACASA-N -1 0 371.419 -0.251 20 0 FBADRM CN1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@H](CNC(=O)[O-])C1 ZINC000828506103 604398502 /nfs/dbraw/zinc/39/85/02/604398502.db2.gz DJSMSVZAMNXYMW-LLVKDONJSA-N -1 0 360.374 -0.798 20 0 FBADRM CN1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828506104 604397866 /nfs/dbraw/zinc/39/78/66/604397866.db2.gz DJSMSVZAMNXYMW-NSHDSACASA-N -1 0 360.374 -0.798 20 0 FBADRM CN1CCN(C(=O)Cn2c(=O)cnc3ccccc32)[C@H](CNC(=O)[O-])C1 ZINC000828506371 603512967 /nfs/dbraw/zinc/51/29/67/603512967.db2.gz GPWHJWYJMHSXHP-GFCCVEGCSA-N -1 0 359.386 -0.193 20 0 FBADRM CN1CCN(C(=O)Cn2c(=O)cnc3ccccc32)[C@@H](CNC(=O)[O-])C1 ZINC000828506373 603513242 /nfs/dbraw/zinc/51/32/42/603513242.db2.gz GPWHJWYJMHSXHP-LBPRGKRZSA-N -1 0 359.386 -0.193 20 0 FBADRM CN1CCN(C(=O)Cn2cnc3ccccc3c2=O)[C@H](CNC(=O)[O-])C1 ZINC000828506653 604406084 /nfs/dbraw/zinc/40/60/84/604406084.db2.gz IQZBGCDYGNJRDX-GFCCVEGCSA-N -1 0 359.386 -0.193 20 0 FBADRM CN1CCN(C(=O)Cn2cnc3ccccc3c2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828506656 604406271 /nfs/dbraw/zinc/40/62/71/604406271.db2.gz IQZBGCDYGNJRDX-LBPRGKRZSA-N -1 0 359.386 -0.193 20 0 FBADRM CN1CCN(C(=O)Nc2ccc(S(C)(=O)=O)nc2)[C@H](CNC(=O)[O-])C1 ZINC000828506702 605452407 /nfs/dbraw/zinc/45/24/07/605452407.db2.gz JMAVWMLKLIWOOD-LLVKDONJSA-N -1 0 371.419 -0.099 20 0 FBADRM CN1CCN(C(=O)Nc2ccc(S(C)(=O)=O)nc2)[C@@H](CNC(=O)[O-])C1 ZINC000828506703 605452649 /nfs/dbraw/zinc/45/26/49/605452649.db2.gz JMAVWMLKLIWOOD-NSHDSACASA-N -1 0 371.419 -0.099 20 0 FBADRM CN1CCN(C(=O)Cc2csc(-c3nc[nH]n3)n2)[C@@H](CNC(=O)[O-])C1 ZINC000828506743 603510938 /nfs/dbraw/zinc/51/09/38/603510938.db2.gz KMDCFPDEJOMUCI-JTQLQIEISA-N -1 0 365.419 -0.119 20 0 FBADRM CN1CCN(C(=O)Cc2csc(-c3nc[nH]n3)n2)[C@H](CNC(=O)[O-])C1 ZINC000828506744 603510379 /nfs/dbraw/zinc/51/03/79/603510379.db2.gz KMDCFPDEJOMUCI-SNVBAGLBSA-N -1 0 365.419 -0.119 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])c1 ZINC000828507328 604397892 /nfs/dbraw/zinc/39/78/92/604397892.db2.gz OPLOTYOJNAMXKM-JTQLQIEISA-N -1 0 373.435 -0.711 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])c1 ZINC000828507329 604398090 /nfs/dbraw/zinc/39/80/90/604398090.db2.gz OPLOTYOJNAMXKM-SNVBAGLBSA-N -1 0 373.435 -0.711 20 0 FBADRM Cn1c2ccccc2n(CC(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])c1=O ZINC000828507783 604400176 /nfs/dbraw/zinc/40/01/76/604400176.db2.gz SQBOLRFJDDWZHD-GFCCVEGCSA-N -1 0 361.402 -0.250 20 0 FBADRM Cn1c2ccccc2n(CC(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])c1=O ZINC000828507784 604400080 /nfs/dbraw/zinc/40/00/80/604400080.db2.gz SQBOLRFJDDWZHD-LBPRGKRZSA-N -1 0 361.402 -0.250 20 0 FBADRM CN1CCN(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)[C@@H](CNC(=O)[O-])C1 ZINC000828507787 605452734 /nfs/dbraw/zinc/45/27/34/605452734.db2.gz SQTUARLXYFNMAC-JTQLQIEISA-N -1 0 361.358 -0.014 20 0 FBADRM CN1CCN(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)[C@H](CNC(=O)[O-])C1 ZINC000828507788 605452526 /nfs/dbraw/zinc/45/25/26/605452526.db2.gz SQTUARLXYFNMAC-SNVBAGLBSA-N -1 0 361.358 -0.014 20 0 FBADRM CN1CCN(C(=O)Cn2cnc3sccc3c2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828507812 604407735 /nfs/dbraw/zinc/40/77/35/604407735.db2.gz SZSIRMNGSCNJGR-JTQLQIEISA-N -1 0 365.415 -0.132 20 0 FBADRM CN1CCN(C(=O)Cn2cnc3sccc3c2=O)[C@H](CNC(=O)[O-])C1 ZINC000828507813 604407387 /nfs/dbraw/zinc/40/73/87/604407387.db2.gz SZSIRMNGSCNJGR-SNVBAGLBSA-N -1 0 365.415 -0.132 20 0 FBADRM CN1CCN(C(=O)Cc2nn(C)c(=O)c3ccccc23)[C@H](CNC(=O)[O-])C1 ZINC000828507838 604406196 /nfs/dbraw/zinc/40/61/96/604406196.db2.gz UKKHQXUUZQVZQT-GFCCVEGCSA-N -1 0 373.413 -0.114 20 0 FBADRM CN1CCN(C(=O)Cc2nn(C)c(=O)c3ccccc23)[C@@H](CNC(=O)[O-])C1 ZINC000828507839 604406399 /nfs/dbraw/zinc/40/63/99/604406399.db2.gz UKKHQXUUZQVZQT-LBPRGKRZSA-N -1 0 373.413 -0.114 20 0 FBADRM CN1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)[C@H](CNC(=O)[O-])C1 ZINC000828507857 603515971 /nfs/dbraw/zinc/51/59/71/603515971.db2.gz UYBIWEVODZXWQJ-CYBMUJFWSA-N -1 0 359.390 -0.250 20 0 FBADRM CN1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)[C@@H](CNC(=O)[O-])C1 ZINC000828507859 603516122 /nfs/dbraw/zinc/51/61/22/603516122.db2.gz UYBIWEVODZXWQJ-ZDUSSCGKSA-N -1 0 359.390 -0.250 20 0 FBADRM CN1CCN(C(=O)Cn2ncc3ccccc3c2=O)[C@H](CNC(=O)[O-])C1 ZINC000828508029 604409344 /nfs/dbraw/zinc/40/93/44/604409344.db2.gz WEZBMDKEMAGWIC-CYBMUJFWSA-N -1 0 359.386 -0.193 20 0 FBADRM CN1CCN(C(=O)Cn2ncc3ccccc3c2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828508030 604409146 /nfs/dbraw/zinc/40/91/46/604409146.db2.gz WEZBMDKEMAGWIC-ZDUSSCGKSA-N -1 0 359.386 -0.193 20 0 FBADRM C[C@H]1CN=C(N2CCN(S(=O)(=O)c3cnn(CC(=O)[O-])c3)CC2)S1 ZINC000828508413 600790530 /nfs/dbraw/zinc/79/05/30/600790530.db2.gz DUZCNCQWXGESDP-JTQLQIEISA-N -1 0 373.460 -0.235 20 0 FBADRM C[C@@H]1CN=C(N2CCN(S(=O)(=O)c3cnn(CC(=O)[O-])c3)CC2)S1 ZINC000828508414 600790460 /nfs/dbraw/zinc/79/04/60/600790460.db2.gz DUZCNCQWXGESDP-SNVBAGLBSA-N -1 0 373.460 -0.235 20 0 FBADRM C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000828508435 604415501 /nfs/dbraw/zinc/41/55/01/604415501.db2.gz FLESWGUULOPXLA-GWCFXTLKSA-N -1 0 352.343 -0.303 20 0 FBADRM C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000828508436 604415559 /nfs/dbraw/zinc/41/55/59/604415559.db2.gz FLESWGUULOPXLA-GXFFZTMASA-N -1 0 352.343 -0.303 20 0 FBADRM C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000828508437 604415626 /nfs/dbraw/zinc/41/56/26/604415626.db2.gz FLESWGUULOPXLA-MFKMUULPSA-N -1 0 352.343 -0.303 20 0 FBADRM C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000828508438 604415513 /nfs/dbraw/zinc/41/55/13/604415513.db2.gz FLESWGUULOPXLA-ZWNOBZJWSA-N -1 0 352.343 -0.303 20 0 FBADRM C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000828508966 604415503 /nfs/dbraw/zinc/41/55/03/604415503.db2.gz KRYWTTLZPUITIF-GWCFXTLKSA-N -1 0 352.343 -0.303 20 0 FBADRM C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000828508968 604415576 /nfs/dbraw/zinc/41/55/76/604415576.db2.gz KRYWTTLZPUITIF-GXFFZTMASA-N -1 0 352.343 -0.303 20 0 FBADRM C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000828508970 604415518 /nfs/dbraw/zinc/41/55/18/604415518.db2.gz KRYWTTLZPUITIF-MFKMUULPSA-N -1 0 352.343 -0.303 20 0 FBADRM C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000828508972 604415560 /nfs/dbraw/zinc/41/55/60/604415560.db2.gz KRYWTTLZPUITIF-ZWNOBZJWSA-N -1 0 352.343 -0.303 20 0 FBADRM CN1CCN(C(=O)c2ccc(N3CCOCC3)nc2)[C@@H](CNC(=O)[O-])C1 ZINC000828512934 604404799 /nfs/dbraw/zinc/40/47/99/604404799.db2.gz BZUMKPIPGKKURX-AWEZNQCLSA-N -1 0 363.418 -0.058 20 0 FBADRM CN1CCN(C(=O)c2ccc(N3CCOCC3)nc2)[C@H](CNC(=O)[O-])C1 ZINC000828512935 604404946 /nfs/dbraw/zinc/40/49/46/604404946.db2.gz BZUMKPIPGKKURX-CQSZACIVSA-N -1 0 363.418 -0.058 20 0 FBADRM CN1CCN(C(=O)c2ccc(CS(N)(=O)=O)cc2)[C@H](CNC(=O)[O-])C1 ZINC000828512942 604409334 /nfs/dbraw/zinc/40/93/34/604409334.db2.gz CFXJVOSFZNMACJ-CYBMUJFWSA-N -1 0 370.431 -0.501 20 0 FBADRM CN1CCN(C(=O)c2ccc(CS(N)(=O)=O)cc2)[C@@H](CNC(=O)[O-])C1 ZINC000828512943 604409115 /nfs/dbraw/zinc/40/91/15/604409115.db2.gz CFXJVOSFZNMACJ-ZDUSSCGKSA-N -1 0 370.431 -0.501 20 0 FBADRM CN1CCN(C(=O)c2cccc(OCC(N)=O)c2)[C@H](CNC(=O)[O-])C1 ZINC000828513024 603518201 /nfs/dbraw/zinc/51/82/01/603518201.db2.gz FKJMULDBUKIEDG-GFCCVEGCSA-N -1 0 350.375 -0.426 20 0 FBADRM CN1CCN(C(=O)c2cccc(OCC(N)=O)c2)[C@@H](CNC(=O)[O-])C1 ZINC000828513025 603518235 /nfs/dbraw/zinc/51/82/35/603518235.db2.gz FKJMULDBUKIEDG-LBPRGKRZSA-N -1 0 350.375 -0.426 20 0 FBADRM CN1CCN(C(=O)c2ccc(OCC(N)=O)cc2)[C@H](CNC(=O)[O-])C1 ZINC000828513205 603505072 /nfs/dbraw/zinc/50/50/72/603505072.db2.gz HAAAHYKAMNXYBS-GFCCVEGCSA-N -1 0 350.375 -0.426 20 0 FBADRM CN1CCN(C(=O)c2ccc(OCC(N)=O)cc2)[C@@H](CNC(=O)[O-])C1 ZINC000828513206 603505572 /nfs/dbraw/zinc/50/55/72/603505572.db2.gz HAAAHYKAMNXYBS-LBPRGKRZSA-N -1 0 350.375 -0.426 20 0 FBADRM CN1CCN(C(=O)c2cnc3sccn3c2=O)[C@H](CNC(=O)[O-])C1 ZINC000828513374 603513465 /nfs/dbraw/zinc/51/34/65/603513465.db2.gz JJTZUJRWSUPBQX-SECBINFHSA-N -1 0 351.388 -0.220 20 0 FBADRM CN1CCN(C(=O)c2cnc3sccn3c2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828513375 603513715 /nfs/dbraw/zinc/51/37/15/603513715.db2.gz JJTZUJRWSUPBQX-VIFPVBQESA-N -1 0 351.388 -0.220 20 0 FBADRM CN1CCN(C(=O)c2ccc(F)c(S(N)(=O)=O)c2)[C@@H](CNC(=O)[O-])C1 ZINC000828513385 604404933 /nfs/dbraw/zinc/40/49/33/604404933.db2.gz JPLWFJBEFNUFBO-JTQLQIEISA-N -1 0 374.394 -0.503 20 0 FBADRM CN1CCN(C(=O)c2ccc(F)c(S(N)(=O)=O)c2)[C@H](CNC(=O)[O-])C1 ZINC000828513386 604404832 /nfs/dbraw/zinc/40/48/32/604404832.db2.gz JPLWFJBEFNUFBO-SNVBAGLBSA-N -1 0 374.394 -0.503 20 0 FBADRM CN1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@@H](CNC(=O)[O-])C1 ZINC000828513415 604410670 /nfs/dbraw/zinc/41/06/70/604410670.db2.gz KWWCGBMKHFNRFB-JTQLQIEISA-N -1 0 361.358 -0.760 20 0 FBADRM CN1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@H](CNC(=O)[O-])C1 ZINC000828513416 604410659 /nfs/dbraw/zinc/41/06/59/604410659.db2.gz KWWCGBMKHFNRFB-SNVBAGLBSA-N -1 0 361.358 -0.760 20 0 FBADRM CN1C(=O)c2ccc(C(=O)N3CCN(C)C[C@H]3CNC(=O)[O-])cc2C1=O ZINC000828513623 604406675 /nfs/dbraw/zinc/40/66/75/604406675.db2.gz NKZALZPKFINIPY-LLVKDONJSA-N -1 0 360.370 -0.064 20 0 FBADRM CN1C(=O)c2ccc(C(=O)N3CCN(C)C[C@@H]3CNC(=O)[O-])cc2C1=O ZINC000828513624 604406939 /nfs/dbraw/zinc/40/69/39/604406939.db2.gz NKZALZPKFINIPY-NSHDSACASA-N -1 0 360.370 -0.064 20 0 FBADRM CN1CCN(C(=O)c2cnc3n(c2=O)CCS3)[C@H](CNC(=O)[O-])C1 ZINC000828513668 604406787 /nfs/dbraw/zinc/40/67/87/604406787.db2.gz OKSAATJBPYWKLK-SECBINFHSA-N -1 0 353.404 -0.627 20 0 FBADRM CN1CCN(C(=O)c2cnc3n(c2=O)CCS3)[C@@H](CNC(=O)[O-])C1 ZINC000828513671 604406743 /nfs/dbraw/zinc/40/67/43/604406743.db2.gz OKSAATJBPYWKLK-VIFPVBQESA-N -1 0 353.404 -0.627 20 0 FBADRM CN1CCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)[C@@H](CNC(=O)[O-])C1 ZINC000828513730 604409182 /nfs/dbraw/zinc/40/91/82/604409182.db2.gz PCYSNOLTIHENCA-JTQLQIEISA-N -1 0 374.419 -0.647 20 0 FBADRM CN1CCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)[C@H](CNC(=O)[O-])C1 ZINC000828513732 604409269 /nfs/dbraw/zinc/40/92/69/604409269.db2.gz PCYSNOLTIHENCA-SNVBAGLBSA-N -1 0 374.419 -0.647 20 0 FBADRM CN1CCN(C(=O)c2ccc(S(N)(=O)=O)s2)[C@H](CNC(=O)[O-])C1 ZINC000828513733 604401592 /nfs/dbraw/zinc/40/15/92/604401592.db2.gz PDNSLSGHHFIKNS-MRVPVSSYSA-N -1 0 362.433 -0.581 20 0 FBADRM CN1CCN(C(=O)c2ccc(S(N)(=O)=O)s2)[C@@H](CNC(=O)[O-])C1 ZINC000828513734 604401386 /nfs/dbraw/zinc/40/13/86/604401386.db2.gz PDNSLSGHHFIKNS-QMMMGPOBSA-N -1 0 362.433 -0.581 20 0 FBADRM CN1CCN(C(=O)c2ccc(CS(C)(=O)=O)o2)[C@@H](CNC(=O)[O-])C1 ZINC000828513937 603507896 /nfs/dbraw/zinc/50/78/96/603507896.db2.gz SASNWBBPDGQSKJ-JTQLQIEISA-N -1 0 359.404 -0.152 20 0 FBADRM CN1CCN(C(=O)c2ccc(CS(C)(=O)=O)o2)[C@H](CNC(=O)[O-])C1 ZINC000828513939 603508370 /nfs/dbraw/zinc/50/83/70/603508370.db2.gz SASNWBBPDGQSKJ-SNVBAGLBSA-N -1 0 359.404 -0.152 20 0 FBADRM CN1CCN(C(=O)c2cccc(CS(N)(=O)=O)c2)[C@H](CNC(=O)[O-])C1 ZINC000828513953 604403213 /nfs/dbraw/zinc/40/32/13/604403213.db2.gz SEEMBSHRSWLBOS-CYBMUJFWSA-N -1 0 370.431 -0.501 20 0 FBADRM CN1CCN(C(=O)c2cccc(CS(N)(=O)=O)c2)[C@@H](CNC(=O)[O-])C1 ZINC000828513955 604403064 /nfs/dbraw/zinc/40/30/64/604403064.db2.gz SEEMBSHRSWLBOS-ZDUSSCGKSA-N -1 0 370.431 -0.501 20 0 FBADRM CN1CCN(C(=O)c2cn(CC(=O)C(C)(C)C)nn2)[C@H](CNC(=O)[O-])C1 ZINC000828514088 604411158 /nfs/dbraw/zinc/41/11/58/604411158.db2.gz UIUZPJQQQQCGCQ-LLVKDONJSA-N -1 0 366.422 -0.083 20 0 FBADRM CN1CCN(C(=O)c2cn(CC(=O)C(C)(C)C)nn2)[C@@H](CNC(=O)[O-])C1 ZINC000828514089 604411270 /nfs/dbraw/zinc/41/12/70/604411270.db2.gz UIUZPJQQQQCGCQ-NSHDSACASA-N -1 0 366.422 -0.083 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])o1 ZINC000828514118 604404854 /nfs/dbraw/zinc/40/48/54/604404854.db2.gz UQSMZHAJHALEIC-JTQLQIEISA-N -1 0 374.419 -0.446 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])o1 ZINC000828514124 604404863 /nfs/dbraw/zinc/40/48/63/604404863.db2.gz UQSMZHAJHALEIC-SNVBAGLBSA-N -1 0 374.419 -0.446 20 0 FBADRM CN1CCN(C(=O)c2cn(Cc3ccccn3)nn2)[C@H](CNC(=O)[O-])C1 ZINC000828514492 604396244 /nfs/dbraw/zinc/39/62/44/604396244.db2.gz YYEOBAKVEVJXNB-CYBMUJFWSA-N -1 0 359.390 -0.255 20 0 FBADRM CN1CCN(C(=O)c2cn(Cc3ccccn3)nn2)[C@@H](CNC(=O)[O-])C1 ZINC000828514493 604396678 /nfs/dbraw/zinc/39/66/78/604396678.db2.gz YYEOBAKVEVJXNB-ZDUSSCGKSA-N -1 0 359.390 -0.255 20 0 FBADRM CN1N=C(C(=O)Nc2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)CCC1=O ZINC000828520689 603957192 /nfs/dbraw/zinc/95/71/92/603957192.db2.gz NJRCZGKQFUNTLA-UHFFFAOYSA-N -1 0 350.339 -0.849 20 0 FBADRM CNC(=O)C1(C(=O)Nc2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)CCC1 ZINC000828526151 603961475 /nfs/dbraw/zinc/96/14/75/603961475.db2.gz HRFSWDJMQLGWCV-UHFFFAOYSA-N -1 0 351.367 -0.541 20 0 FBADRM CNC(=O)CC1CCN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1 ZINC000828531334 603898413 /nfs/dbraw/zinc/89/84/13/603898413.db2.gz FTIOLJSZFHUMFQ-UHFFFAOYSA-N -1 0 369.422 -0.634 20 0 FBADRM CNC(=O)CC1CCN(C(=O)NCCN2CCN(C(=O)[O-])CC2)CC1 ZINC000828531375 603898001 /nfs/dbraw/zinc/89/80/01/603898001.db2.gz GRMBFGHSYMJXCH-UHFFFAOYSA-N -1 0 355.439 -0.160 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000828531898 602841212 /nfs/dbraw/zinc/84/12/12/602841212.db2.gz LPPQDIORPXMDMS-JTQLQIEISA-N -1 0 352.347 -0.486 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000828531899 602841082 /nfs/dbraw/zinc/84/10/82/602841082.db2.gz LPPQDIORPXMDMS-SNVBAGLBSA-N -1 0 352.347 -0.486 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C1(CNC(=O)[O-])CCCC1 ZINC000828532033 603658302 /nfs/dbraw/zinc/65/83/02/603658302.db2.gz MQYNSGMATKGRBG-LLVKDONJSA-N -1 0 354.407 -0.332 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C1(CNC(=O)[O-])CCCC1 ZINC000828532036 603658374 /nfs/dbraw/zinc/65/83/74/603658374.db2.gz MQYNSGMATKGRBG-NSHDSACASA-N -1 0 354.407 -0.332 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000828532241 603746588 /nfs/dbraw/zinc/74/65/88/603746588.db2.gz OIJISTQDXMTGGE-JBLDHEPKSA-N -1 0 370.406 -0.657 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000828532242 603746672 /nfs/dbraw/zinc/74/66/72/603746672.db2.gz OIJISTQDXMTGGE-JFGNBEQYSA-N -1 0 370.406 -0.657 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000828532243 603746596 /nfs/dbraw/zinc/74/65/96/603746596.db2.gz OIJISTQDXMTGGE-NHCYSSNCSA-N -1 0 370.406 -0.657 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000828532244 603746379 /nfs/dbraw/zinc/74/63/79/603746379.db2.gz OIJISTQDXMTGGE-SCVCMEIPSA-N -1 0 370.406 -0.657 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000828532245 605647932 /nfs/dbraw/zinc/64/79/32/605647932.db2.gz OJPCIZICNLTTFJ-GHMZBOCLSA-N -1 0 372.447 -0.675 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000828532246 605648425 /nfs/dbraw/zinc/64/84/25/605648425.db2.gz OJPCIZICNLTTFJ-MNOVXSKESA-N -1 0 372.447 -0.675 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000828532247 605648364 /nfs/dbraw/zinc/64/83/64/605648364.db2.gz OJPCIZICNLTTFJ-QWRGUYRKSA-N -1 0 372.447 -0.675 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000828532248 605648085 /nfs/dbraw/zinc/64/80/85/605648085.db2.gz OJPCIZICNLTTFJ-WDEREUQCSA-N -1 0 372.447 -0.675 20 0 FBADRM CNC(=O)CCOC1CCN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)CC1 ZINC000828537670 603688291 /nfs/dbraw/zinc/68/82/91/603688291.db2.gz JGUQAPJRMXCJBM-UHFFFAOYSA-N -1 0 368.434 -0.227 20 0 FBADRM CNC(=O)CC1CCN(CN2C[C@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000828538023 603607769 /nfs/dbraw/zinc/60/77/69/603607769.db2.gz OEDIXXNPOUIWCA-CYBMUJFWSA-N -1 0 353.423 -0.108 20 0 FBADRM CNC(=O)CC1CCN(CN2C[C@@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000828538024 603607582 /nfs/dbraw/zinc/60/75/82/603607582.db2.gz OEDIXXNPOUIWCA-ZDUSSCGKSA-N -1 0 353.423 -0.108 20 0 FBADRM CNC(=O)CCOC1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828538307 604275292 /nfs/dbraw/zinc/27/52/92/604275292.db2.gz UVXWTHBWQQKCNT-CYBMUJFWSA-N -1 0 357.407 -0.101 20 0 FBADRM CNC(=O)CCOC1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828538309 604275168 /nfs/dbraw/zinc/27/51/68/604275168.db2.gz UVXWTHBWQQKCNT-ZDUSSCGKSA-N -1 0 357.407 -0.101 20 0 FBADRM CCOC(=O)[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCO1 ZINC000828539053 661128138 /nfs/dbraw/zinc/12/81/38/661128138.db2.gz BSXCXPQMFLTZFZ-GFCCVEGCSA-N -1 0 358.372 -0.556 20 0 FBADRM CCOC(=O)[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCO1 ZINC000828539054 661128108 /nfs/dbraw/zinc/12/81/08/661128108.db2.gz BSXCXPQMFLTZFZ-LBPRGKRZSA-N -1 0 358.372 -0.556 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)CN2CCC(NC(=O)[O-])CC2)CC1 ZINC000828540764 605629179 /nfs/dbraw/zinc/62/91/79/605629179.db2.gz ANXJLQARYXDOLV-UHFFFAOYSA-N -1 0 355.439 -0.955 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])CC1 ZINC000828540782 603693984 /nfs/dbraw/zinc/69/39/84/603693984.db2.gz AWVDJTJVVLOETH-AAEUAGOBSA-N -1 0 355.439 -0.068 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])CC1 ZINC000828540783 603693843 /nfs/dbraw/zinc/69/38/43/603693843.db2.gz AWVDJTJVVLOETH-DGCLKSJQSA-N -1 0 355.439 -0.068 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])CC1 ZINC000828540784 603694135 /nfs/dbraw/zinc/69/41/35/603694135.db2.gz AWVDJTJVVLOETH-WCQYABFASA-N -1 0 355.439 -0.068 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])CC1 ZINC000828540803 603694085 /nfs/dbraw/zinc/69/40/85/603694085.db2.gz AWVDJTJVVLOETH-YPMHNXCESA-N -1 0 355.439 -0.068 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)C[C@@H]2CSCCN2C(=O)[O-])CC1 ZINC000828541174 605601614 /nfs/dbraw/zinc/60/16/14/605601614.db2.gz CKRIBTUMAJTTMP-GFCCVEGCSA-N -1 0 358.464 -0.202 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)C[C@H]2CSCCN2C(=O)[O-])CC1 ZINC000828541175 605601894 /nfs/dbraw/zinc/60/18/94/605601894.db2.gz CKRIBTUMAJTTMP-LBPRGKRZSA-N -1 0 358.464 -0.202 20 0 FBADRM CNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)[O-])c2ccccc2OC)CC1 ZINC000828541240 604088886 /nfs/dbraw/zinc/08/88/86/604088886.db2.gz DGHYBNOIYATNTN-HNNXBMFYSA-N -1 0 364.402 -0.106 20 0 FBADRM CNC(=O)CN1CCN(C(=O)[C@H](NC(=O)[O-])c2ccccc2OC)CC1 ZINC000828541243 604088478 /nfs/dbraw/zinc/08/84/78/604088478.db2.gz DGHYBNOIYATNTN-OAHLLOKOSA-N -1 0 364.402 -0.106 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)CC1 ZINC000828542653 604534414 /nfs/dbraw/zinc/53/44/14/604534414.db2.gz MOLGRHDNMKTAFS-AAEUAGOBSA-N -1 0 371.438 -0.737 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)CC1 ZINC000828542655 604534448 /nfs/dbraw/zinc/53/44/48/604534448.db2.gz MOLGRHDNMKTAFS-DGCLKSJQSA-N -1 0 371.438 -0.737 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)CC1 ZINC000828542657 604534492 /nfs/dbraw/zinc/53/44/92/604534492.db2.gz MOLGRHDNMKTAFS-WCQYABFASA-N -1 0 371.438 -0.737 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)CC1 ZINC000828542658 604534406 /nfs/dbraw/zinc/53/44/06/604534406.db2.gz MOLGRHDNMKTAFS-YPMHNXCESA-N -1 0 371.438 -0.737 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N(C)C2CCN(C(=O)[O-])CC2)CC1 ZINC000828543331 604027019 /nfs/dbraw/zinc/02/70/19/604027019.db2.gz TUMHOIWIFOPCRK-UHFFFAOYSA-N -1 0 355.439 -0.019 20 0 FBADRM CNC(=O)COc1ccc(NC(=O)C(=O)NCC(C)(C)NC(=O)[O-])cc1 ZINC000828543412 603614427 /nfs/dbraw/zinc/61/44/27/603614427.db2.gz VIIIGCYVMMPXJP-UHFFFAOYSA-N -1 0 366.374 -0.088 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N2CCC[C@@H]2CN(C)C(=O)[O-])CC1 ZINC000828543453 603694070 /nfs/dbraw/zinc/69/40/70/603694070.db2.gz VNKYMVKLGMXWRR-CYBMUJFWSA-N -1 0 355.439 -0.019 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)N2CCC[C@H]2CN(C)C(=O)[O-])CC1 ZINC000828543507 603693638 /nfs/dbraw/zinc/69/36/38/603693638.db2.gz VNKYMVKLGMXWRR-ZDUSSCGKSA-N -1 0 355.439 -0.019 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000828543650 605261845 /nfs/dbraw/zinc/26/18/45/605261845.db2.gz WPNKEHXTWNNRKD-CYBMUJFWSA-N -1 0 356.423 -0.528 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000828543653 605261571 /nfs/dbraw/zinc/26/15/71/605261571.db2.gz WPNKEHXTWNNRKD-ZDUSSCGKSA-N -1 0 356.423 -0.528 20 0 FBADRM CNC(=O)CN1CCN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)[O-])CC1 ZINC000828543792 604090956 /nfs/dbraw/zinc/09/09/56/604090956.db2.gz YCXUFTPIDFNUJP-OAHLLOKOSA-N -1 0 360.414 -0.019 20 0 FBADRM CNC(=O)Cc1noc(COC(=O)C[C@@H]2CSCCN2C(=O)[O-])n1 ZINC000828546524 605825736 /nfs/dbraw/zinc/82/57/36/605825736.db2.gz DSAILOZVJFMJMN-MRVPVSSYSA-N -1 0 358.376 -0.113 20 0 FBADRM CNC(=O)Cc1noc(COC(=O)C[C@H]2CSCCN2C(=O)[O-])n1 ZINC000828546527 605825499 /nfs/dbraw/zinc/82/54/99/605825499.db2.gz DSAILOZVJFMJMN-QMMMGPOBSA-N -1 0 358.376 -0.113 20 0 FBADRM CNC(=O)COc1cccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000828546582 603678581 /nfs/dbraw/zinc/67/85/81/603678581.db2.gz FFORCYIKLVXKHM-AAEUAGOBSA-N -1 0 351.359 -0.459 20 0 FBADRM CNC(=O)COc1cccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000828546583 603678761 /nfs/dbraw/zinc/67/87/61/603678761.db2.gz FFORCYIKLVXKHM-DGCLKSJQSA-N -1 0 351.359 -0.459 20 0 FBADRM CNC(=O)COc1cccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000828546584 603678788 /nfs/dbraw/zinc/67/87/88/603678788.db2.gz FFORCYIKLVXKHM-WCQYABFASA-N -1 0 351.359 -0.459 20 0 FBADRM CNC(=O)COc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000828546585 603678587 /nfs/dbraw/zinc/67/85/87/603678587.db2.gz FFORCYIKLVXKHM-YPMHNXCESA-N -1 0 351.359 -0.459 20 0 FBADRM CNC(=O)Cc1noc(COC(=O)C2(OC)CCN(C(=O)[O-])CC2)n1 ZINC000828547121 604082943 /nfs/dbraw/zinc/08/29/43/604082943.db2.gz KXGHEYPXIPYTLG-UHFFFAOYSA-N -1 0 356.335 -0.440 20 0 FBADRM CNC(=O)Cc1noc(COC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)n1 ZINC000828547126 605342371 /nfs/dbraw/zinc/34/23/71/605342371.db2.gz LADAMLBYGGWYJH-SECBINFHSA-N -1 0 356.335 -0.440 20 0 FBADRM CNC(=O)Cc1noc(COC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)n1 ZINC000828547127 605341990 /nfs/dbraw/zinc/34/19/90/605341990.db2.gz LADAMLBYGGWYJH-VIFPVBQESA-N -1 0 356.335 -0.440 20 0 FBADRM CNC(=O)COc1cccc(CNC(=O)COC2CN(C(=O)[O-])C2)c1 ZINC000828547129 603981302 /nfs/dbraw/zinc/98/13/02/603981302.db2.gz LDAVNMVXVZONMM-UHFFFAOYSA-N -1 0 351.359 -0.194 20 0 FBADRM CNC(=O)Cn1cc(NC(=O)C(=O)Nc2cccc(CNC(=O)[O-])c2)cn1 ZINC000828547264 603702466 /nfs/dbraw/zinc/70/24/66/603702466.db2.gz NLMWXLZPMGJGIM-UHFFFAOYSA-N -1 0 374.357 -0.026 20 0 FBADRM CNC(=O)Cc1nc(COC(=O)CN2CCN(C(=O)[O-])CC2=O)cs1 ZINC000828547315 604129768 /nfs/dbraw/zinc/12/97/68/604129768.db2.gz OILHOPLZAQLATA-UHFFFAOYSA-N -1 0 370.387 -0.703 20 0 FBADRM CNC(=O)Cc1noc(COC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)n1 ZINC000828547583 604083863 /nfs/dbraw/zinc/08/38/63/604083863.db2.gz STLDPHLLSDRTNT-UHFFFAOYSA-N -1 0 369.378 -0.525 20 0 FBADRM CNC(=O)COc1cccc(CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)c1 ZINC000828547610 604729469 /nfs/dbraw/zinc/72/94/69/604729469.db2.gz UHHSUSSWAVEGAI-CYBMUJFWSA-N -1 0 351.359 -0.194 20 0 FBADRM CNC(=O)COc1cccc(CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1 ZINC000828547611 604729734 /nfs/dbraw/zinc/72/97/34/604729734.db2.gz UHHSUSSWAVEGAI-ZDUSSCGKSA-N -1 0 351.359 -0.194 20 0 FBADRM CNC(=O)Cc1nc(CN(C)CC(=O)N2CCN(C(=O)[O-])CC2)cs1 ZINC000828547671 604203724 /nfs/dbraw/zinc/20/37/24/604203724.db2.gz VXJZIOQILAPJAI-UHFFFAOYSA-N -1 0 369.447 -0.314 20 0 FBADRM CNC(=O)N1CCN(C(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)CC1 ZINC000828552059 603947389 /nfs/dbraw/zinc/94/73/89/603947389.db2.gz MEGXRVNFTRJOHJ-UHFFFAOYSA-N -1 0 365.394 -0.310 20 0 FBADRM CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NCCNC(=O)[O-])cc21 ZINC000828552270 604125029 /nfs/dbraw/zinc/12/50/29/604125029.db2.gz PFXISZAWDKXYJG-UHFFFAOYSA-N -1 0 361.358 -0.290 20 0 FBADRM CNC(=O)NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O ZINC000828552722 603676357 /nfs/dbraw/zinc/67/63/57/603676357.db2.gz YDEQERCEDVANLW-CLAHSXSESA-N -1 0 355.351 -0.810 20 0 FBADRM CNC(=O)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2CNC(=O)[O-])C1=O ZINC000828552723 603676208 /nfs/dbraw/zinc/67/62/08/603676208.db2.gz YDEQERCEDVANLW-RMLUDKJBSA-N -1 0 355.351 -0.810 20 0 FBADRM CNC(=O)NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2CNC(=O)[O-])C1=O ZINC000828552724 603677239 /nfs/dbraw/zinc/67/72/39/603677239.db2.gz YDEQERCEDVANLW-RTHLEPHNSA-N -1 0 355.351 -0.810 20 0 FBADRM CNC(=O)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O ZINC000828552725 603677132 /nfs/dbraw/zinc/67/71/32/603677132.db2.gz YDEQERCEDVANLW-XLKFXECMSA-N -1 0 355.351 -0.810 20 0 FBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(OCCNC(=O)[O-])c1 ZINC000828556454 603725201 /nfs/dbraw/zinc/72/52/01/603725201.db2.gz FRUMNJALESYRNI-SECBINFHSA-N -1 0 352.347 -0.478 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)cn1C ZINC000828557280 604494242 /nfs/dbraw/zinc/49/42/42/604494242.db2.gz NWJKFSOLJAXFGL-BXKDBHETSA-N -1 0 374.419 -0.570 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)cn1C ZINC000828557283 604493820 /nfs/dbraw/zinc/49/38/20/604493820.db2.gz NWJKFSOLJAXFGL-CABZTGNLSA-N -1 0 374.419 -0.570 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)cn1C ZINC000828557285 604493876 /nfs/dbraw/zinc/49/38/76/604493876.db2.gz NWJKFSOLJAXFGL-JOYOIKCWSA-N -1 0 374.419 -0.570 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)cn1C ZINC000828557287 604494204 /nfs/dbraw/zinc/49/42/04/604494204.db2.gz NWJKFSOLJAXFGL-SKDRFNHKSA-N -1 0 374.419 -0.570 20 0 FBADRM CNC(=O)c1ccc(C(=O)Nc2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)cn1 ZINC000828558139 603959486 /nfs/dbraw/zinc/95/94/86/603959486.db2.gz ZBRVEHOFZRMSBQ-UHFFFAOYSA-N -1 0 374.361 -0.388 20 0 FBADRM CNC(=O)c1ccc(N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)nn1 ZINC000828561808 603889806 /nfs/dbraw/zinc/88/98/06/603889806.db2.gz RBEISSXQARSWTR-JTQLQIEISA-N -1 0 350.379 -0.564 20 0 FBADRM CNC(=O)c1ccc(N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)nn1 ZINC000828561820 603889465 /nfs/dbraw/zinc/88/94/65/603889465.db2.gz RBEISSXQARSWTR-SNVBAGLBSA-N -1 0 350.379 -0.564 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])cc1 ZINC000828566653 604332188 /nfs/dbraw/zinc/33/21/88/604332188.db2.gz KSVNOVHMKVBPCV-GFCCVEGCSA-N -1 0 370.431 -0.382 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])cc1 ZINC000828566654 604332249 /nfs/dbraw/zinc/33/22/49/604332249.db2.gz KSVNOVHMKVBPCV-LBPRGKRZSA-N -1 0 370.431 -0.382 20 0 FBADRM CC1N=NC(=S)N1CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000828572026 661128398 /nfs/dbraw/zinc/12/83/98/661128398.db2.gz RSHIVSMCDGUHMG-UHFFFAOYSA-N -1 0 357.417 -0.342 20 0 FBADRM CNC(=O)c1cncc(/C=C\C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])c1 ZINC000828572608 604409663 /nfs/dbraw/zinc/40/96/63/604409663.db2.gz FODLEURPSMGJGK-NQHOJNORSA-N -1 0 361.402 -0.135 20 0 FBADRM CNC(=O)c1cncc(/C=C/C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])c1 ZINC000828572609 604409941 /nfs/dbraw/zinc/40/99/41/604409941.db2.gz FODLEURPSMGJGK-RDFMZFSFSA-N -1 0 361.402 -0.135 20 0 FBADRM CNC(=O)c1cncc(/C=C\C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])c1 ZINC000828572610 604409632 /nfs/dbraw/zinc/40/96/32/604409632.db2.gz FODLEURPSMGJGK-VQTKUKTRSA-N -1 0 361.402 -0.135 20 0 FBADRM CNC(=O)c1cncc(/C=C/C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])c1 ZINC000828572611 604409867 /nfs/dbraw/zinc/40/98/67/604409867.db2.gz FODLEURPSMGJGK-XGACYXMMSA-N -1 0 361.402 -0.135 20 0 FBADRM CNS(=O)(=O)C1CCN(C(=O)CN2CCC(NC(=O)[O-])CC2)CC1 ZINC000828573101 605713154 /nfs/dbraw/zinc/71/31/54/605713154.db2.gz MQVHRZSEIDGUAO-UHFFFAOYSA-N -1 0 362.452 -0.741 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)C1 ZINC000828573313 603591189 /nfs/dbraw/zinc/59/11/89/603591189.db2.gz PLEYWHGAGNWXBR-LLVKDONJSA-N -1 0 360.436 -0.830 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)C1 ZINC000828573314 603591860 /nfs/dbraw/zinc/59/18/60/603591860.db2.gz PLEYWHGAGNWXBR-NSHDSACASA-N -1 0 360.436 -0.830 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000828573490 605309387 /nfs/dbraw/zinc/30/93/87/605309387.db2.gz RQGPOUDOCNPXJL-NEPJUHHUSA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000828573491 605309092 /nfs/dbraw/zinc/30/90/92/605309092.db2.gz RQGPOUDOCNPXJL-NWDGAFQWSA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000828573492 605309377 /nfs/dbraw/zinc/30/93/77/605309377.db2.gz RQGPOUDOCNPXJL-RYUDHWBXSA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000828573493 605309197 /nfs/dbraw/zinc/30/91/97/605309197.db2.gz RQGPOUDOCNPXJL-VXGBXAGGSA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)C1CCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000828573540 605303588 /nfs/dbraw/zinc/30/35/88/605303588.db2.gz SSMPRUMPZCPIMB-LLVKDONJSA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)C1CCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000828573541 605303648 /nfs/dbraw/zinc/30/36/48/605303648.db2.gz SSMPRUMPZCPIMB-NSHDSACASA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)CC(=O)Nc1ccc(-c2nnc(CNC(=O)[O-])[nH]2)cc1 ZINC000828578397 605437794 /nfs/dbraw/zinc/43/77/94/605437794.db2.gz AEGQVTGLEIWCTH-UHFFFAOYSA-N -1 0 368.375 -0.273 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)NC2CN(C(=O)[O-])C2)cc1 ZINC000828578540 604568674 /nfs/dbraw/zinc/56/86/74/604568674.db2.gz BQGZNYLFTVZJQF-UHFFFAOYSA-N -1 0 356.404 -0.103 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)c(C)o1 ZINC000828578797 603616217 /nfs/dbraw/zinc/61/62/17/603616217.db2.gz DJIYWHBZRCRXMK-JTQLQIEISA-N -1 0 360.344 -0.026 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)c(C)o1 ZINC000828578801 603615941 /nfs/dbraw/zinc/61/59/41/603615941.db2.gz DJIYWHBZRCRXMK-SNVBAGLBSA-N -1 0 360.344 -0.026 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])c(C)o1 ZINC000828578804 604396522 /nfs/dbraw/zinc/39/65/22/604396522.db2.gz DJTDVZSJPMSJOI-JTQLQIEISA-N -1 0 374.419 -0.480 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])c(C)o1 ZINC000828578806 604396738 /nfs/dbraw/zinc/39/67/38/604396738.db2.gz DJTDVZSJPMSJOI-SNVBAGLBSA-N -1 0 374.419 -0.480 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)NCCN2CCN(C(=O)[O-])CC2)c(C)o1 ZINC000828578849 603528428 /nfs/dbraw/zinc/52/84/28/603528428.db2.gz FEWOZFKYFWILRC-UHFFFAOYSA-N -1 0 374.419 -0.478 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000828578940 605387731 /nfs/dbraw/zinc/38/77/31/605387731.db2.gz HGKLTKAMVNVYAN-NEPJUHHUSA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828578943 605387245 /nfs/dbraw/zinc/38/72/45/605387245.db2.gz HGKLTKAMVNVYAN-NWDGAFQWSA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000828578945 605387519 /nfs/dbraw/zinc/38/75/19/605387519.db2.gz HGKLTKAMVNVYAN-RYUDHWBXSA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828578948 605387942 /nfs/dbraw/zinc/38/79/42/605387942.db2.gz HGKLTKAMVNVYAN-VXGBXAGGSA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)CC(=O)Nc1ccc(N2CCN(C(=O)[O-])CC2)cn1 ZINC000828579030 603593188 /nfs/dbraw/zinc/59/31/88/603593188.db2.gz HWGBDPHIMJRPII-UHFFFAOYSA-N -1 0 357.392 -0.631 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000828579208 604666356 /nfs/dbraw/zinc/66/63/56/604666356.db2.gz JEUKBYFMSZNBTF-CYBMUJFWSA-N -1 0 371.415 -0.269 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000828579209 604666524 /nfs/dbraw/zinc/66/65/24/604666524.db2.gz JEUKBYFMSZNBTF-ZDUSSCGKSA-N -1 0 371.415 -0.269 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1CN1CC2(CN(C(=O)[O-])C2)CC1=O ZINC000828579594 603922635 /nfs/dbraw/zinc/92/26/35/603922635.db2.gz NXXYDFZTXIUIGJ-LLVKDONJSA-N -1 0 360.436 -0.830 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1CN1CC2(CN(C(=O)[O-])C2)CC1=O ZINC000828579595 603922685 /nfs/dbraw/zinc/92/26/85/603922685.db2.gz NXXYDFZTXIUIGJ-NSHDSACASA-N -1 0 360.436 -0.830 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H](CCSC)NC(=O)[O-] ZINC000828579681 603586121 /nfs/dbraw/zinc/58/61/21/603586121.db2.gz PANGUIFUHFEGFB-NXEZZACHSA-N -1 0 353.466 -0.084 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[O-] ZINC000828579685 603585765 /nfs/dbraw/zinc/58/57/65/603585765.db2.gz PANGUIFUHFEGFB-UWVGGRQHSA-N -1 0 353.466 -0.084 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H](CCSC)NC(=O)[O-] ZINC000828579687 603586110 /nfs/dbraw/zinc/58/61/10/603586110.db2.gz PANGUIFUHFEGFB-VHSXEESVSA-N -1 0 353.466 -0.084 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[O-] ZINC000828579688 603586154 /nfs/dbraw/zinc/58/61/54/603586154.db2.gz PANGUIFUHFEGFB-ZJUUUORDSA-N -1 0 353.466 -0.084 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)COC2CN(C(=O)[O-])C2)cc1 ZINC000828580113 603743463 /nfs/dbraw/zinc/74/34/63/603743463.db2.gz VGABNRCURFDAPY-UHFFFAOYSA-N -1 0 371.415 -0.269 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000828580279 603585708 /nfs/dbraw/zinc/58/57/08/603585708.db2.gz XOAYQCMQPGPTEA-NEPJUHHUSA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000828580281 603586019 /nfs/dbraw/zinc/58/60/19/603586019.db2.gz XOAYQCMQPGPTEA-NWDGAFQWSA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000828580283 603585734 /nfs/dbraw/zinc/58/57/34/603585734.db2.gz XOAYQCMQPGPTEA-RYUDHWBXSA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000828580285 603585785 /nfs/dbraw/zinc/58/57/85/603585785.db2.gz XOAYQCMQPGPTEA-VXGBXAGGSA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)C1(OC)CCN(C(=O)[O-])CC1 ZINC000828580387 603585868 /nfs/dbraw/zinc/58/58/68/603585868.db2.gz ZGTSWANEBCPLFJ-LLVKDONJSA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C1(OC)CCN(C(=O)[O-])CC1 ZINC000828580389 603586052 /nfs/dbraw/zinc/58/60/52/603586052.db2.gz ZGTSWANEBCPLFJ-NSHDSACASA-N -1 0 363.436 -0.314 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])o1 ZINC000828585025 603520046 /nfs/dbraw/zinc/52/00/46/603520046.db2.gz JBRRKKQWFQNLOI-SECBINFHSA-N -1 0 360.392 -0.789 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])o1 ZINC000828585027 603519297 /nfs/dbraw/zinc/51/92/97/603519297.db2.gz JBRRKKQWFQNLOI-VIFPVBQESA-N -1 0 360.392 -0.789 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)o1 ZINC000828585199 604682018 /nfs/dbraw/zinc/68/20/18/604682018.db2.gz JSICHLDHMYXIDG-PSASIEDQSA-N -1 0 361.376 -0.315 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)o1 ZINC000828585200 604682089 /nfs/dbraw/zinc/68/20/89/604682089.db2.gz JSICHLDHMYXIDG-SCZZXKLOSA-N -1 0 361.376 -0.315 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)o1 ZINC000828585201 604681916 /nfs/dbraw/zinc/68/19/16/604681916.db2.gz JSICHLDHMYXIDG-WCBMZHEXSA-N -1 0 361.376 -0.315 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)o1 ZINC000828585202 604682133 /nfs/dbraw/zinc/68/21/33/604682133.db2.gz JSICHLDHMYXIDG-WPRPVWTQSA-N -1 0 361.376 -0.315 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])cc1 ZINC000828585205 603517315 /nfs/dbraw/zinc/51/73/15/603517315.db2.gz JUOZZFCSAWGOQC-GFCCVEGCSA-N -1 0 370.431 -0.382 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])cc1 ZINC000828585206 603516721 /nfs/dbraw/zinc/51/67/21/603516721.db2.gz JUOZZFCSAWGOQC-LBPRGKRZSA-N -1 0 370.431 -0.382 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)COC2CN(C(=O)[O-])C2)s1 ZINC000828585237 603743375 /nfs/dbraw/zinc/74/33/75/603743375.db2.gz KNYNAJSJUGSYMT-UHFFFAOYSA-N -1 0 363.417 -0.349 20 0 FBADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCCNC(=O)[O-])c1 ZINC000828586140 603706934 /nfs/dbraw/zinc/70/69/34/603706934.db2.gz QKWZQCOMXCIGCE-UHFFFAOYSA-N -1 0 358.376 -0.775 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])s1 ZINC000828586175 603645076 /nfs/dbraw/zinc/64/50/76/603645076.db2.gz RHEXTZRQRSOORF-APPZFPTMSA-N -1 0 363.417 -0.614 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])s1 ZINC000828586176 603645342 /nfs/dbraw/zinc/64/53/42/603645342.db2.gz RHEXTZRQRSOORF-CBAPKCEASA-N -1 0 363.417 -0.614 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])s1 ZINC000828586177 603645446 /nfs/dbraw/zinc/64/54/46/603645446.db2.gz RHEXTZRQRSOORF-IONNQARKSA-N -1 0 363.417 -0.614 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])s1 ZINC000828586178 603645329 /nfs/dbraw/zinc/64/53/29/603645329.db2.gz RHEXTZRQRSOORF-VXNVDRBHSA-N -1 0 363.417 -0.614 20 0 FBADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCCCNC(=O)[O-])c1 ZINC000828586464 603713293 /nfs/dbraw/zinc/71/32/93/603713293.db2.gz RSXXCJMPEFQYLA-UHFFFAOYSA-N -1 0 372.403 -0.384 20 0 FBADRM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000828586479 603739100 /nfs/dbraw/zinc/73/91/00/603739100.db2.gz SAWURJRGOANWFE-GAFUQQFSSA-N -1 0 371.415 -0.115 20 0 FBADRM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000828586480 603739106 /nfs/dbraw/zinc/73/91/06/603739106.db2.gz SAWURJRGOANWFE-NDMJEZRESA-N -1 0 371.415 -0.115 20 0 FBADRM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000828586481 603739190 /nfs/dbraw/zinc/73/91/90/603739190.db2.gz SAWURJRGOANWFE-UFGOTCBOSA-N -1 0 371.415 -0.115 20 0 FBADRM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000828586482 603738947 /nfs/dbraw/zinc/73/89/47/603738947.db2.gz SAWURJRGOANWFE-XHVZSJERSA-N -1 0 371.415 -0.115 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)s1 ZINC000828586711 604677838 /nfs/dbraw/zinc/67/78/38/604677838.db2.gz VBOIYHMKGIVWAL-SECBINFHSA-N -1 0 363.417 -0.349 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)s1 ZINC000828586712 604678036 /nfs/dbraw/zinc/67/80/36/604678036.db2.gz VBOIYHMKGIVWAL-VIFPVBQESA-N -1 0 363.417 -0.349 20 0 FBADRM CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)CNC(=O)[O-])c1 ZINC000828586793 604282227 /nfs/dbraw/zinc/28/22/27/604282227.db2.gz WREGHAHMPZKMSM-UHFFFAOYSA-N -1 0 360.392 -0.141 20 0 FBADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCCN(C)C(=O)[O-])c1 ZINC000828587003 603724470 /nfs/dbraw/zinc/72/44/70/603724470.db2.gz XVTSKHKJMCVCIQ-UHFFFAOYSA-N -1 0 372.403 -0.432 20 0 FBADRM CNc1cc(N2CCC[C@H]2CNC(=O)COC2CN(C(=O)[O-])C2)ncn1 ZINC000828593840 604021606 /nfs/dbraw/zinc/02/16/06/604021606.db2.gz KITGYBJGXJOYRR-NSHDSACASA-N -1 0 364.406 -0.018 20 0 FBADRM CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)ncn1 ZINC000828593910 604968568 /nfs/dbraw/zinc/96/85/68/604968568.db2.gz MQEJCDNYRAHQRT-NEPJUHHUSA-N -1 0 364.406 -0.018 20 0 FBADRM CNc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)ncn1 ZINC000828593911 604968248 /nfs/dbraw/zinc/96/82/48/604968248.db2.gz MQEJCDNYRAHQRT-NWDGAFQWSA-N -1 0 364.406 -0.018 20 0 FBADRM CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)ncn1 ZINC000828593912 604968110 /nfs/dbraw/zinc/96/81/10/604968110.db2.gz MQEJCDNYRAHQRT-RYUDHWBXSA-N -1 0 364.406 -0.018 20 0 FBADRM CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)ncn1 ZINC000828593913 604968663 /nfs/dbraw/zinc/96/86/63/604968663.db2.gz MQEJCDNYRAHQRT-VXGBXAGGSA-N -1 0 364.406 -0.018 20 0 FBADRM CNc1cc2c(nn1)CCN(CN1C[C@H]3CN(C(=O)[O-])CCN3C1=O)C2 ZINC000828593930 603603636 /nfs/dbraw/zinc/60/36/36/603603636.db2.gz NHVXCDIPXKXVBZ-GFCCVEGCSA-N -1 0 361.406 -0.066 20 0 FBADRM CNc1cc2c(nn1)CCN(CN1C[C@@H]3CN(C(=O)[O-])CCN3C1=O)C2 ZINC000828593931 603603226 /nfs/dbraw/zinc/60/32/26/603603226.db2.gz NHVXCDIPXKXVBZ-LBPRGKRZSA-N -1 0 361.406 -0.066 20 0 FBADRM CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2COCCN2C(=O)[O-])ncn1 ZINC000828594324 603093977 /nfs/dbraw/zinc/09/39/77/603093977.db2.gz XJNSFCDRHHJGFP-NEPJUHHUSA-N -1 0 364.406 -0.018 20 0 FBADRM CNc1cc(N2CCC[C@H]2CNC(=O)[C@H]2COCCN2C(=O)[O-])ncn1 ZINC000828594325 603094045 /nfs/dbraw/zinc/09/40/45/603094045.db2.gz XJNSFCDRHHJGFP-NWDGAFQWSA-N -1 0 364.406 -0.018 20 0 FBADRM CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2COCCN2C(=O)[O-])ncn1 ZINC000828594326 603093958 /nfs/dbraw/zinc/09/39/58/603093958.db2.gz XJNSFCDRHHJGFP-RYUDHWBXSA-N -1 0 364.406 -0.018 20 0 FBADRM CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2COCCN2C(=O)[O-])ncn1 ZINC000828594327 603093938 /nfs/dbraw/zinc/09/39/38/603093938.db2.gz XJNSFCDRHHJGFP-VXGBXAGGSA-N -1 0 364.406 -0.018 20 0 FBADRM CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])ncn1 ZINC000828594559 603861250 /nfs/dbraw/zinc/86/12/50/603861250.db2.gz ZWOBFQJHTHJFHQ-GRYCIOLGSA-N -1 0 364.406 -0.284 20 0 FBADRM CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])ncn1 ZINC000828594563 603861307 /nfs/dbraw/zinc/86/13/07/603861307.db2.gz ZWOBFQJHTHJFHQ-IJLUTSLNSA-N -1 0 364.406 -0.284 20 0 FBADRM CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])ncn1 ZINC000828594565 603861339 /nfs/dbraw/zinc/86/13/39/603861339.db2.gz ZWOBFQJHTHJFHQ-UTUOFQBUSA-N -1 0 364.406 -0.284 20 0 FBADRM CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])ncn1 ZINC000828594566 603861177 /nfs/dbraw/zinc/86/11/77/603861177.db2.gz ZWOBFQJHTHJFHQ-WOPDTQHZSA-N -1 0 364.406 -0.284 20 0 FBADRM COC(=O)/C(C)=C\CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828600082 604099325 /nfs/dbraw/zinc/09/93/25/604099325.db2.gz HKIQENBTQFDYDU-JYOAFUTRSA-N -1 0 361.420 -0.585 20 0 FBADRM COC(=O)/C(C)=C/CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828600085 604098916 /nfs/dbraw/zinc/09/89/16/604098916.db2.gz HKIQENBTQFDYDU-QDEBKDIKSA-N -1 0 361.420 -0.585 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000828601139 603790790 /nfs/dbraw/zinc/79/07/90/603790790.db2.gz MRSXIUGWJSFGCG-LLVKDONJSA-N -1 0 351.425 -0.647 20 0 FBADRM COC(=O)[C@@H](C)CS(=O)(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000828601140 603791040 /nfs/dbraw/zinc/79/10/40/603791040.db2.gz MRSXIUGWJSFGCG-NSHDSACASA-N -1 0 351.425 -0.647 20 0 FBADRM COC(=O)[C@@H](COC(C)C)N(C)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000828606593 605145545 /nfs/dbraw/zinc/14/55/45/605145545.db2.gz BZWSONQWRKRXEC-LLVKDONJSA-N -1 0 359.379 -0.766 20 0 FBADRM COC(=O)[C@H](COC(C)C)N(C)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000828606594 605145577 /nfs/dbraw/zinc/14/55/77/605145577.db2.gz BZWSONQWRKRXEC-NSHDSACASA-N -1 0 359.379 -0.766 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000828608989 603911413 /nfs/dbraw/zinc/91/14/13/603911413.db2.gz SQHGILKZEMXVHS-LLVKDONJSA-N -1 0 351.425 -0.599 20 0 FBADRM COC(=O)[C@@H](C)CS(=O)(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000828608990 603911405 /nfs/dbraw/zinc/91/14/05/603911405.db2.gz SQHGILKZEMXVHS-NSHDSACASA-N -1 0 351.425 -0.599 20 0 FBADRM COC(=O)[C@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)c1ccccn1 ZINC000828611502 603067816 /nfs/dbraw/zinc/06/78/16/603067816.db2.gz AJHQNNOYALPGEF-CYBMUJFWSA-N -1 0 350.331 -0.766 20 0 FBADRM COC(=O)[C@@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)c1ccccn1 ZINC000828611503 603067867 /nfs/dbraw/zinc/06/78/67/603067867.db2.gz AJHQNNOYALPGEF-ZDUSSCGKSA-N -1 0 350.331 -0.766 20 0 FBADRM COC(=O)[C@@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)c1ccccc1F ZINC000828611986 603744857 /nfs/dbraw/zinc/74/48/57/603744857.db2.gz FYWZIUKAFGAZRR-AWEZNQCLSA-N -1 0 367.333 -0.022 20 0 FBADRM COC(=O)[C@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)c1ccccc1F ZINC000828611992 603744937 /nfs/dbraw/zinc/74/49/37/603744937.db2.gz FYWZIUKAFGAZRR-CQSZACIVSA-N -1 0 367.333 -0.022 20 0 FBADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000828617351 601468820 /nfs/dbraw/zinc/46/88/20/601468820.db2.gz ADNJHFBGWZKUBR-CXAGYDPISA-N -1 0 355.435 -0.073 20 0 FBADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000828617353 601468805 /nfs/dbraw/zinc/46/88/05/601468805.db2.gz ADNJHFBGWZKUBR-DYVFJYSZSA-N -1 0 355.435 -0.073 20 0 FBADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000828617354 601468801 /nfs/dbraw/zinc/46/88/01/601468801.db2.gz ADNJHFBGWZKUBR-GUYCJALGSA-N -1 0 355.435 -0.073 20 0 FBADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000828617355 601468656 /nfs/dbraw/zinc/46/86/56/601468656.db2.gz ADNJHFBGWZKUBR-SUMWQHHRSA-N -1 0 355.435 -0.073 20 0 FBADRM COC(=O)C1(CNC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CCCC1 ZINC000828617474 603693259 /nfs/dbraw/zinc/69/32/59/603693259.db2.gz CTJKDNLZYUAJQY-UHFFFAOYSA-N -1 0 370.406 -0.159 20 0 FBADRM CC[C@@](C)(CC(=O)[O-])NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000828617763 601460453 /nfs/dbraw/zinc/46/04/53/601460453.db2.gz KEFUMRIRJMVTBH-BMIGLBTASA-N -1 0 373.431 -0.089 20 0 FBADRM CC[C@@](C)(CC(=O)[O-])NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000828617764 601460526 /nfs/dbraw/zinc/46/05/26/601460526.db2.gz KEFUMRIRJMVTBH-BONVTDFDSA-N -1 0 373.431 -0.089 20 0 FBADRM CC[C@](C)(CC(=O)[O-])NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000828617765 601460460 /nfs/dbraw/zinc/46/04/60/601460460.db2.gz KEFUMRIRJMVTBH-MEBBXXQBSA-N -1 0 373.431 -0.089 20 0 FBADRM CC[C@](C)(CC(=O)[O-])NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000828617766 601460595 /nfs/dbraw/zinc/46/05/95/601460595.db2.gz KEFUMRIRJMVTBH-ZUZCIYMTSA-N -1 0 373.431 -0.089 20 0 FBADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000828618277 601465389 /nfs/dbraw/zinc/46/53/89/601465389.db2.gz RTTXGOFECIMSMX-FIXISWKDSA-N -1 0 360.432 -0.218 20 0 FBADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000828618279 601465221 /nfs/dbraw/zinc/46/52/21/601465221.db2.gz RTTXGOFECIMSMX-JRPNMDOOSA-N -1 0 360.432 -0.218 20 0 FBADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000828618282 601465384 /nfs/dbraw/zinc/46/53/84/601465384.db2.gz RTTXGOFECIMSMX-UEKVPHQBSA-N -1 0 360.432 -0.218 20 0 FBADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000828618284 601465295 /nfs/dbraw/zinc/46/52/95/601465295.db2.gz RTTXGOFECIMSMX-ZIBATOQPSA-N -1 0 360.432 -0.218 20 0 FBADRM COC(=O)[C@@]1(C)CCN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828618801 604413260 /nfs/dbraw/zinc/41/32/60/604413260.db2.gz PUDGLDBLAXBYGR-HNNXBMFYSA-N -1 0 356.379 -0.597 20 0 FBADRM COC(=O)[C@]1(C)CCN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828618802 604413258 /nfs/dbraw/zinc/41/32/58/604413258.db2.gz PUDGLDBLAXBYGR-OAHLLOKOSA-N -1 0 356.379 -0.597 20 0 FBADRM COC(=O)[C@@]1(C)CCN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C1 ZINC000828619059 604352522 /nfs/dbraw/zinc/35/25/22/604352522.db2.gz SGRQKRUJRBZXNV-HNNXBMFYSA-N -1 0 368.390 -0.107 20 0 FBADRM COC(=O)[C@]1(C)CCN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C1 ZINC000828619065 604352385 /nfs/dbraw/zinc/35/23/85/604352385.db2.gz SGRQKRUJRBZXNV-OAHLLOKOSA-N -1 0 368.390 -0.107 20 0 FBADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000828623037 601469698 /nfs/dbraw/zinc/46/96/98/601469698.db2.gz BIWDDIPRJHQOAQ-INIZCTEOSA-N -1 0 365.390 -0.417 20 0 FBADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000828623038 601469687 /nfs/dbraw/zinc/46/96/87/601469687.db2.gz BIWDDIPRJHQOAQ-MRXNPFEDSA-N -1 0 365.390 -0.417 20 0 FBADRM COC(=O)[C@]1(F)CCN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C1 ZINC000828623213 603688444 /nfs/dbraw/zinc/68/84/44/603688444.db2.gz ABUAHFNCQBVOFQ-AWEZNQCLSA-N -1 0 372.353 -0.405 20 0 FBADRM COC(=O)[C@@]1(F)CCN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C1 ZINC000828623214 603688442 /nfs/dbraw/zinc/68/84/42/603688442.db2.gz ABUAHFNCQBVOFQ-CQSZACIVSA-N -1 0 372.353 -0.405 20 0 FBADRM COC(=O)C1(NC(=O)[C@H](C)CN(C)C(=O)[O-])CCS(=O)(=O)CC1 ZINC000828623481 603731438 /nfs/dbraw/zinc/73/14/38/603731438.db2.gz DDDWEPHAQOMSHW-SECBINFHSA-N -1 0 350.393 -0.531 20 0 FBADRM COC(=O)C1(NC(=O)[C@@H](C)CN(C)C(=O)[O-])CCS(=O)(=O)CC1 ZINC000828623482 603731760 /nfs/dbraw/zinc/73/17/60/603731760.db2.gz DDDWEPHAQOMSHW-VIFPVBQESA-N -1 0 350.393 -0.531 20 0 FBADRM COC(=O)C1(NC(=O)CCCN(C)C(=O)[O-])CCS(=O)(=O)CC1 ZINC000828623795 603731533 /nfs/dbraw/zinc/73/15/33/603731533.db2.gz HDMJSJUGYWQDKL-UHFFFAOYSA-N -1 0 350.393 -0.387 20 0 FBADRM COC(=O)C1(NC(=O)[C@H]2CCCN(C(=O)[O-])C2)CCS(=O)(=O)CC1 ZINC000828623929 603732502 /nfs/dbraw/zinc/73/25/02/603732502.db2.gz JAUQSRIVDZWWGQ-JTQLQIEISA-N -1 0 362.404 -0.387 20 0 FBADRM COC(=O)C1(NC(=O)[C@@H]2CCCN(C(=O)[O-])C2)CCS(=O)(=O)CC1 ZINC000828623931 603732497 /nfs/dbraw/zinc/73/24/97/603732497.db2.gz JAUQSRIVDZWWGQ-SNVBAGLBSA-N -1 0 362.404 -0.387 20 0 FBADRM COC(=O)C1(NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CCS(=O)(=O)CC1 ZINC000828624168 603732227 /nfs/dbraw/zinc/73/22/27/603732227.db2.gz LNJKIYNOIWRONX-NXEZZACHSA-N -1 0 362.404 -0.341 20 0 FBADRM COC(=O)C1(NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CCS(=O)(=O)CC1 ZINC000828624170 603732372 /nfs/dbraw/zinc/73/23/72/603732372.db2.gz LNJKIYNOIWRONX-UWVGGRQHSA-N -1 0 362.404 -0.341 20 0 FBADRM COC(=O)C1(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CCS(=O)(=O)CC1 ZINC000828624172 603732198 /nfs/dbraw/zinc/73/21/98/603732198.db2.gz LNJKIYNOIWRONX-VHSXEESVSA-N -1 0 362.404 -0.341 20 0 FBADRM COC(=O)C1(NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CCS(=O)(=O)CC1 ZINC000828624174 603732222 /nfs/dbraw/zinc/73/22/22/603732222.db2.gz LNJKIYNOIWRONX-ZJUUUORDSA-N -1 0 362.404 -0.341 20 0 FBADRM COC(=O)[C@]1(NC(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)CCOC1 ZINC000828624327 603447443 /nfs/dbraw/zinc/44/74/43/603447443.db2.gz NAFKFIINOLOBKP-HNNXBMFYSA-N -1 0 367.362 -0.345 20 0 FBADRM COC(=O)[C@@]1(NC(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)CCOC1 ZINC000828624328 603447627 /nfs/dbraw/zinc/44/76/27/603447627.db2.gz NAFKFIINOLOBKP-OAHLLOKOSA-N -1 0 367.362 -0.345 20 0 FBADRM COC(=O)C1(NC(=O)COC(=O)[C@H]2COCCN2C(=O)[O-])CCCCC1 ZINC000828624350 603897045 /nfs/dbraw/zinc/89/70/45/603897045.db2.gz NSASHQPPUZSZRQ-LLVKDONJSA-N -1 0 372.374 -0.100 20 0 FBADRM COC(=O)C1(NC(=O)COC(=O)[C@@H]2COCCN2C(=O)[O-])CCCCC1 ZINC000828624351 603897427 /nfs/dbraw/zinc/89/74/27/603897427.db2.gz NSASHQPPUZSZRQ-NSHDSACASA-N -1 0 372.374 -0.100 20 0 FBADRM COC(=O)C1(NC(=O)CC(C)(C)NC(=O)[O-])CCS(=O)(=O)CC1 ZINC000828624587 603732369 /nfs/dbraw/zinc/73/23/69/603732369.db2.gz PNWYGESYMQRTQY-UHFFFAOYSA-N -1 0 350.393 -0.341 20 0 FBADRM COC(=O)C1(NC(=O)CN(CC2CC2)C(=O)[O-])CCS(=O)(=O)CC1 ZINC000828624785 603732456 /nfs/dbraw/zinc/73/24/56/603732456.db2.gz QVSCUKKJXDTLFA-UHFFFAOYSA-N -1 0 362.404 -0.387 20 0 FBADRM COC(=O)C1(NC(=O)COC(=O)[C@H]2CN(C(=O)[O-])CCO2)CCCCC1 ZINC000828625031 605207785 /nfs/dbraw/zinc/20/77/85/605207785.db2.gz UXOZYZFDQHZDNJ-LLVKDONJSA-N -1 0 372.374 -0.100 20 0 FBADRM COC(=O)C1(NC(=O)COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCCCC1 ZINC000828625033 605207506 /nfs/dbraw/zinc/20/75/06/605207506.db2.gz UXOZYZFDQHZDNJ-NSHDSACASA-N -1 0 372.374 -0.100 20 0 FBADRM COC(=O)C1(NC(=O)C[C@@H]2CCCN2C(=O)[O-])CCS(=O)(=O)CC1 ZINC000828625238 603732432 /nfs/dbraw/zinc/73/24/32/603732432.db2.gz XIYXOWWKYYCRHQ-JTQLQIEISA-N -1 0 362.404 -0.245 20 0 FBADRM COC(=O)C1(NC(=O)C[C@H]2CCCN2C(=O)[O-])CCS(=O)(=O)CC1 ZINC000828625239 603732328 /nfs/dbraw/zinc/73/23/28/603732328.db2.gz XIYXOWWKYYCRHQ-SNVBAGLBSA-N -1 0 362.404 -0.245 20 0 FBADRM COC(=O)C1(NC(=O)CC2(NC(=O)[O-])CCC2)CCS(=O)(=O)CC1 ZINC000828625245 603732344 /nfs/dbraw/zinc/73/23/44/603732344.db2.gz XPPIEETZYTWIGY-UHFFFAOYSA-N -1 0 362.404 -0.197 20 0 FBADRM COC(=O)C1(NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCS(=O)(=O)CC1 ZINC000828625278 603732332 /nfs/dbraw/zinc/73/23/32/603732332.db2.gz YIISVROITGHMKZ-GFCCVEGCSA-N -1 0 366.367 -0.685 20 0 FBADRM COC(=O)C1(NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCS(=O)(=O)CC1 ZINC000828625279 603732448 /nfs/dbraw/zinc/73/24/48/603732448.db2.gz YIISVROITGHMKZ-LBPRGKRZSA-N -1 0 366.367 -0.685 20 0 FBADRM CC[C@](C)(CC(=O)[O-])NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000828628930 601457896 /nfs/dbraw/zinc/45/78/96/601457896.db2.gz VSAXHYJRFIJAJW-CYBMUJFWSA-N -1 0 360.392 -0.849 20 0 FBADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000828628932 601458154 /nfs/dbraw/zinc/45/81/54/601458154.db2.gz VSAXHYJRFIJAJW-ZDUSSCGKSA-N -1 0 360.392 -0.849 20 0 FBADRM COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000828630175 603448335 /nfs/dbraw/zinc/44/83/35/603448335.db2.gz BCMZRTGLJUYNCJ-JTQLQIEISA-N -1 0 372.374 -0.292 20 0 FBADRM COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000828630176 603448350 /nfs/dbraw/zinc/44/83/50/603448350.db2.gz BCMZRTGLJUYNCJ-SNVBAGLBSA-N -1 0 372.374 -0.292 20 0 FBADRM COC(=O)C1CCN(C(=O)COC(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000828630284 603448144 /nfs/dbraw/zinc/44/81/44/603448144.db2.gz DKERCTCYXCBKAF-UHFFFAOYSA-N -1 0 358.347 -0.680 20 0 FBADRM COC(=O)C1CCN(C(=O)COC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828630449 605228121 /nfs/dbraw/zinc/22/81/21/605228121.db2.gz HDKBKTNLBBPYDA-GFCCVEGCSA-N -1 0 372.374 -0.290 20 0 FBADRM COC(=O)C1CCN(C(=O)COC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828630450 605228063 /nfs/dbraw/zinc/22/80/63/605228063.db2.gz HDKBKTNLBBPYDA-LBPRGKRZSA-N -1 0 372.374 -0.290 20 0 FBADRM COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000828630462 603909573 /nfs/dbraw/zinc/90/95/73/603909573.db2.gz HIMUCWHVVRKSFM-CMPLNLGQSA-N -1 0 372.374 -0.292 20 0 FBADRM COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000828630463 603909965 /nfs/dbraw/zinc/90/99/65/603909965.db2.gz HIMUCWHVVRKSFM-JQWIXIFHSA-N -1 0 372.374 -0.292 20 0 FBADRM COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000828630464 603909788 /nfs/dbraw/zinc/90/97/88/603909788.db2.gz HIMUCWHVVRKSFM-PWSUYJOCSA-N -1 0 372.374 -0.292 20 0 FBADRM COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000828630465 603909740 /nfs/dbraw/zinc/90/97/40/603909740.db2.gz HIMUCWHVVRKSFM-ZYHUDNBSSA-N -1 0 372.374 -0.292 20 0 FBADRM COC(=O)C1CCN(C(=O)COC(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828630493 605212444 /nfs/dbraw/zinc/21/24/44/605212444.db2.gz HVDTWZGQPNBFQG-LLVKDONJSA-N -1 0 358.347 -0.680 20 0 FBADRM COC(=O)C1CCN(C(=O)COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828630494 605212310 /nfs/dbraw/zinc/21/23/10/605212310.db2.gz HVDTWZGQPNBFQG-NSHDSACASA-N -1 0 358.347 -0.680 20 0 FBADRM COC(=O)C1CCN(C(=O)COC(=O)[C@H]2COCCN2C(=O)[O-])CC1 ZINC000828631663 603904048 /nfs/dbraw/zinc/90/40/48/603904048.db2.gz NZSAIOLATOYSSC-LLVKDONJSA-N -1 0 358.347 -0.680 20 0 FBADRM COC(=O)C1CCN(C(=O)COC(=O)[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000828631667 603903745 /nfs/dbraw/zinc/90/37/45/603903745.db2.gz NZSAIOLATOYSSC-NSHDSACASA-N -1 0 358.347 -0.680 20 0 FBADRM COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828631732 605217473 /nfs/dbraw/zinc/21/74/73/605217473.db2.gz OFKMYZFKQYYTLR-CMPLNLGQSA-N -1 0 372.374 -0.292 20 0 FBADRM COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828631872 605217176 /nfs/dbraw/zinc/21/71/76/605217176.db2.gz OFKMYZFKQYYTLR-JQWIXIFHSA-N -1 0 372.374 -0.292 20 0 FBADRM COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828631875 605217488 /nfs/dbraw/zinc/21/74/88/605217488.db2.gz OFKMYZFKQYYTLR-PWSUYJOCSA-N -1 0 372.374 -0.292 20 0 FBADRM COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828631877 605217439 /nfs/dbraw/zinc/21/74/39/605217439.db2.gz OFKMYZFKQYYTLR-ZYHUDNBSSA-N -1 0 372.374 -0.292 20 0 FBADRM COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000828632228 603832008 /nfs/dbraw/zinc/83/20/08/603832008.db2.gz PZPYNNYRWIQJKD-DLOVCJGASA-N -1 0 372.374 -0.557 20 0 FBADRM COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000828632230 603831966 /nfs/dbraw/zinc/83/19/66/603831966.db2.gz PZPYNNYRWIQJKD-MVWJERBFSA-N -1 0 372.374 -0.557 20 0 FBADRM COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000828632232 603832001 /nfs/dbraw/zinc/83/20/01/603832001.db2.gz PZPYNNYRWIQJKD-WCQGTBRESA-N -1 0 372.374 -0.557 20 0 FBADRM COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000828632234 603832049 /nfs/dbraw/zinc/83/20/49/603832049.db2.gz PZPYNNYRWIQJKD-ZMLRMANQSA-N -1 0 372.374 -0.557 20 0 FBADRM COC(=O)[C@H]1CCC[C@@H](C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828633040 603686478 /nfs/dbraw/zinc/68/64/78/603686478.db2.gz UJCCJNQQRFPHLI-NEPJUHHUSA-N -1 0 355.391 -0.096 20 0 FBADRM COC(=O)[C@@H]1CCC[C@H](C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828633041 603686246 /nfs/dbraw/zinc/68/62/46/603686246.db2.gz UJCCJNQQRFPHLI-NWDGAFQWSA-N -1 0 355.391 -0.096 20 0 FBADRM COC(=O)[C@H]1CCC[C@H](C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828633042 603686483 /nfs/dbraw/zinc/68/64/83/603686483.db2.gz UJCCJNQQRFPHLI-RYUDHWBXSA-N -1 0 355.391 -0.096 20 0 FBADRM COC(=O)[C@@H]1CCC[C@@H](C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828633043 603686695 /nfs/dbraw/zinc/68/66/95/603686695.db2.gz UJCCJNQQRFPHLI-VXGBXAGGSA-N -1 0 355.391 -0.096 20 0 FBADRM COC(=O)C1CCN(C(=O)CN2CCO[C@H]([C@H](C)NC(=O)[O-])C2)CC1 ZINC000828634098 604610679 /nfs/dbraw/zinc/61/06/79/604610679.db2.gz ZKLVGDUYKDYSKP-AAEUAGOBSA-N -1 0 357.407 -0.245 20 0 FBADRM COC(=O)C1CCN(C(=O)CN2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)CC1 ZINC000828634132 604610472 /nfs/dbraw/zinc/61/04/72/604610472.db2.gz ZKLVGDUYKDYSKP-DGCLKSJQSA-N -1 0 357.407 -0.245 20 0 FBADRM COC(=O)C1CCN(C(=O)CN2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)CC1 ZINC000828634134 604610614 /nfs/dbraw/zinc/61/06/14/604610614.db2.gz ZKLVGDUYKDYSKP-WCQYABFASA-N -1 0 357.407 -0.245 20 0 FBADRM COC(=O)C1CCN(C(=O)CN2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)CC1 ZINC000828634135 604610960 /nfs/dbraw/zinc/61/09/60/604610960.db2.gz ZKLVGDUYKDYSKP-YPMHNXCESA-N -1 0 357.407 -0.245 20 0 FBADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000828634215 601472019 /nfs/dbraw/zinc/47/20/19/601472019.db2.gz JDMJPIXBXBLERY-INIZCTEOSA-N -1 0 350.375 -0.051 20 0 FBADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000828634217 601471999 /nfs/dbraw/zinc/47/19/99/601471999.db2.gz JDMJPIXBXBLERY-MRXNPFEDSA-N -1 0 350.375 -0.051 20 0 FBADRM CC[C@@](C)(CC(=O)[O-])NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000828634499 601461588 /nfs/dbraw/zinc/46/15/88/601461588.db2.gz QCCHIOUQVIXZMX-HNNXBMFYSA-N -1 0 351.363 -0.807 20 0 FBADRM CC[C@](C)(CC(=O)[O-])NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000828634502 601461586 /nfs/dbraw/zinc/46/15/86/601461586.db2.gz QCCHIOUQVIXZMX-OAHLLOKOSA-N -1 0 351.363 -0.807 20 0 FBADRM CC[C@@](C)(CC(=O)[O-])NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000828634517 601470957 /nfs/dbraw/zinc/47/09/57/601470957.db2.gz QOTWXKRSEMHCCG-HNNXBMFYSA-N -1 0 351.363 -0.807 20 0 FBADRM CC[C@](C)(CC(=O)[O-])NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000828634518 601470787 /nfs/dbraw/zinc/47/07/87/601470787.db2.gz QOTWXKRSEMHCCG-OAHLLOKOSA-N -1 0 351.363 -0.807 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)cc1=O ZINC000828634582 661128384 /nfs/dbraw/zinc/12/83/84/661128384.db2.gz XIIMZNRXWLSOTI-BBRMVZONSA-N -1 0 350.419 -0.119 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)cc1=O ZINC000828634584 661128463 /nfs/dbraw/zinc/12/84/63/661128463.db2.gz XIIMZNRXWLSOTI-CJNGLKHVSA-N -1 0 350.419 -0.119 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)cc1=O ZINC000828634585 661128371 /nfs/dbraw/zinc/12/83/71/661128371.db2.gz XIIMZNRXWLSOTI-CZUORRHYSA-N -1 0 350.419 -0.119 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)cc1=O ZINC000828634587 661128494 /nfs/dbraw/zinc/12/84/94/661128494.db2.gz XIIMZNRXWLSOTI-XJKSGUPXSA-N -1 0 350.419 -0.119 20 0 FBADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000828638196 601460472 /nfs/dbraw/zinc/46/04/72/601460472.db2.gz IBQCDFLRHIMLRN-CYBMUJFWSA-N -1 0 361.376 -0.584 20 0 FBADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000828638197 601460613 /nfs/dbraw/zinc/46/06/13/601460613.db2.gz IBQCDFLRHIMLRN-ZDUSSCGKSA-N -1 0 361.376 -0.584 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(CNC(=O)[O-])c2)CCO1 ZINC000828639288 603711006 /nfs/dbraw/zinc/71/10/06/603711006.db2.gz FVEFWCPWYUCDNK-GFCCVEGCSA-N -1 0 365.342 -0.207 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(CNC(=O)[O-])c2)CCO1 ZINC000828639289 603710928 /nfs/dbraw/zinc/71/09/28/603710928.db2.gz FVEFWCPWYUCDNK-LBPRGKRZSA-N -1 0 365.342 -0.207 20 0 FBADRM COC(=O)[C@@H]1CN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C[C@H]1C ZINC000828639654 603493589 /nfs/dbraw/zinc/49/35/89/603493589.db2.gz GPEUWFSMYFSXBX-GHMZBOCLSA-N -1 0 368.390 -0.251 20 0 FBADRM COC(=O)[C@H]1CN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C[C@H]1C ZINC000828639656 603493270 /nfs/dbraw/zinc/49/32/70/603493270.db2.gz GPEUWFSMYFSXBX-MNOVXSKESA-N -1 0 368.390 -0.251 20 0 FBADRM COC(=O)[C@H]1CN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C[C@@H]1C ZINC000828639658 603493715 /nfs/dbraw/zinc/49/37/15/603493715.db2.gz GPEUWFSMYFSXBX-QWRGUYRKSA-N -1 0 368.390 -0.251 20 0 FBADRM COC(=O)[C@@H]1CN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C[C@@H]1C ZINC000828639660 603493521 /nfs/dbraw/zinc/49/35/21/603493521.db2.gz GPEUWFSMYFSXBX-WDEREUQCSA-N -1 0 368.390 -0.251 20 0 FBADRM COC(=O)[C@H]1COCCN1C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000828641060 603743600 /nfs/dbraw/zinc/74/36/00/603743600.db2.gz OHDSWVXWYGBSMW-GFCCVEGCSA-N -1 0 367.362 -0.393 20 0 FBADRM COC(=O)[C@@H]1COCCN1C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000828641061 603743614 /nfs/dbraw/zinc/74/36/14/603743614.db2.gz OHDSWVXWYGBSMW-LBPRGKRZSA-N -1 0 367.362 -0.393 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C[C@H]1C ZINC000828641375 604159008 /nfs/dbraw/zinc/15/90/08/604159008.db2.gz PGRCDTSWRSNREH-GHMZBOCLSA-N -1 0 356.379 -0.741 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C[C@H]1C ZINC000828641378 604159266 /nfs/dbraw/zinc/15/92/66/604159266.db2.gz PGRCDTSWRSNREH-MNOVXSKESA-N -1 0 356.379 -0.741 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C[C@@H]1C ZINC000828641381 604158968 /nfs/dbraw/zinc/15/89/68/604158968.db2.gz PGRCDTSWRSNREH-QWRGUYRKSA-N -1 0 356.379 -0.741 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C[C@@H]1C ZINC000828641383 604159547 /nfs/dbraw/zinc/15/95/47/604159547.db2.gz PGRCDTSWRSNREH-WDEREUQCSA-N -1 0 356.379 -0.741 20 0 FBADRM COC(=O)/C=C1/SCC(=O)N1CCCn1nnnc1CNC(=O)[O-] ZINC000828647028 605179558 /nfs/dbraw/zinc/17/95/58/605179558.db2.gz OLGIWLIFKXHTRT-BJMVGYQFSA-N -1 0 356.364 -0.579 20 0 FBADRM COC(=O)/C=C1\SCC(=O)N1CCCn1nnnc1CNC(=O)[O-] ZINC000828647030 605179187 /nfs/dbraw/zinc/17/91/87/605179187.db2.gz OLGIWLIFKXHTRT-YHYXMXQVSA-N -1 0 356.364 -0.579 20 0 FBADRM COC(=O)C[C@@H](C)N1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828649195 604264575 /nfs/dbraw/zinc/26/45/75/604264575.db2.gz YBXIKIWZPZRUMY-CHWSQXEVSA-N -1 0 357.407 -0.149 20 0 FBADRM COC(=O)C[C@@H](C)N1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828649198 604264923 /nfs/dbraw/zinc/26/49/23/604264923.db2.gz YBXIKIWZPZRUMY-OLZOCXBDSA-N -1 0 357.407 -0.149 20 0 FBADRM COC(=O)C[C@H](C)N1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828649200 604264582 /nfs/dbraw/zinc/26/45/82/604264582.db2.gz YBXIKIWZPZRUMY-QWHCGFSZSA-N -1 0 357.407 -0.149 20 0 FBADRM COC(=O)C[C@H](C)N1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828649201 604264655 /nfs/dbraw/zinc/26/46/55/604264655.db2.gz YBXIKIWZPZRUMY-STQMWFEESA-N -1 0 357.407 -0.149 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])CC1 ZINC000828655661 604331151 /nfs/dbraw/zinc/33/11/51/604331151.db2.gz HPGVYZQUKPUVPV-LLVKDONJSA-N -1 0 363.436 -0.457 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])CC1 ZINC000828655662 604330825 /nfs/dbraw/zinc/33/08/25/604330825.db2.gz HPGVYZQUKPUVPV-NSHDSACASA-N -1 0 363.436 -0.457 20 0 FBADRM COC(=O)CC1(NC(=O)CN2CCN(C(=O)[O-])CC2=O)CCOCC1 ZINC000828655744 603583209 /nfs/dbraw/zinc/58/32/09/603583209.db2.gz ISLPUMBKFKKKEH-UHFFFAOYSA-N -1 0 357.363 -0.963 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828656046 605626156 /nfs/dbraw/zinc/62/61/56/605626156.db2.gz MSLABOVRVUZLNE-GHMZBOCLSA-N -1 0 357.363 -0.965 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828656047 605626168 /nfs/dbraw/zinc/62/61/68/605626168.db2.gz MSLABOVRVUZLNE-MNOVXSKESA-N -1 0 357.363 -0.965 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000828656048 605626207 /nfs/dbraw/zinc/62/62/07/605626207.db2.gz MSLABOVRVUZLNE-QWRGUYRKSA-N -1 0 357.363 -0.965 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000828656049 605626173 /nfs/dbraw/zinc/62/61/73/605626173.db2.gz MSLABOVRVUZLNE-WDEREUQCSA-N -1 0 357.363 -0.965 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)NCCN2CCN(C(=O)[O-])CC2)CC1 ZINC000828656236 603730385 /nfs/dbraw/zinc/73/03/85/603730385.db2.gz PIGWCYMRYZMRQS-UHFFFAOYSA-N -1 0 363.436 -0.455 20 0 FBADRM COC(=O)CC1(NC(=O)CN2CCC(NC(=O)[O-])CC2)CCOCC1 ZINC000828656491 605770018 /nfs/dbraw/zinc/77/00/18/605770018.db2.gz SFXBINPMFVPVCN-UHFFFAOYSA-N -1 0 357.407 -0.053 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000828656607 605420778 /nfs/dbraw/zinc/42/07/78/605420778.db2.gz USKDORCPRQAODQ-NXEZZACHSA-N -1 0 359.404 -0.638 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000828656608 605421110 /nfs/dbraw/zinc/42/11/10/605421110.db2.gz USKDORCPRQAODQ-UWVGGRQHSA-N -1 0 359.404 -0.638 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000828656609 605420947 /nfs/dbraw/zinc/42/09/47/605420947.db2.gz USKDORCPRQAODQ-VHSXEESVSA-N -1 0 359.404 -0.638 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000828656610 605420815 /nfs/dbraw/zinc/42/08/15/605420815.db2.gz USKDORCPRQAODQ-ZJUUUORDSA-N -1 0 359.404 -0.638 20 0 FBADRM COC(=O)C[C@H]1CCCN1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000828656693 605522004 /nfs/dbraw/zinc/52/20/04/605522004.db2.gz XIRBRNXRSUWRLM-LLVKDONJSA-N -1 0 356.379 -0.454 20 0 FBADRM COC(=O)C[C@@H]1CCCN1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000828656694 605521742 /nfs/dbraw/zinc/52/17/42/605521742.db2.gz XIRBRNXRSUWRLM-NSHDSACASA-N -1 0 356.379 -0.454 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)NCCN2CCN(C(=O)[O-])CC2)CCO1 ZINC000828662562 603845521 /nfs/dbraw/zinc/84/55/21/603845521.db2.gz AVTHJCHSLQRYAD-GFCCVEGCSA-N -1 0 358.395 -0.745 20 0 FBADRM COC(=O)C[C@H]1CN(C(=O)NCCN2CCN(C(=O)[O-])CC2)CCO1 ZINC000828662563 603845374 /nfs/dbraw/zinc/84/53/74/603845374.db2.gz AVTHJCHSLQRYAD-LBPRGKRZSA-N -1 0 358.395 -0.745 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CCO1 ZINC000828662568 603823407 /nfs/dbraw/zinc/82/34/07/603823407.db2.gz AZJAIVMOFSNEHY-GFCCVEGCSA-N -1 0 357.407 -0.149 20 0 FBADRM COC(=O)C[C@H]1CN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CCO1 ZINC000828662569 603823479 /nfs/dbraw/zinc/82/34/79/603823479.db2.gz AZJAIVMOFSNEHY-LBPRGKRZSA-N -1 0 357.407 -0.149 20 0 FBADRM COC(=O)C[C@H]1CN(CN2C[C@H]3CN(C(=O)[O-])CCN3C2=O)CCO1 ZINC000828662844 603688280 /nfs/dbraw/zinc/68/82/80/603688280.db2.gz GQQRBFVDKFQGRA-NEPJUHHUSA-N -1 0 356.379 -0.692 20 0 FBADRM COC(=O)C[C@@H]1CN(CN2C[C@@H]3CN(C(=O)[O-])CCN3C2=O)CCO1 ZINC000828662848 603688458 /nfs/dbraw/zinc/68/84/58/603688458.db2.gz GQQRBFVDKFQGRA-NWDGAFQWSA-N -1 0 356.379 -0.692 20 0 FBADRM COC(=O)C[C@H]1CN(CN2C[C@@H]3CN(C(=O)[O-])CCN3C2=O)CCO1 ZINC000828662850 603688446 /nfs/dbraw/zinc/68/84/46/603688446.db2.gz GQQRBFVDKFQGRA-RYUDHWBXSA-N -1 0 356.379 -0.692 20 0 FBADRM COC(=O)C[C@@H]1CN(CN2C[C@H]3CN(C(=O)[O-])CCN3C2=O)CCO1 ZINC000828662852 603688440 /nfs/dbraw/zinc/68/84/40/603688440.db2.gz GQQRBFVDKFQGRA-VXGBXAGGSA-N -1 0 356.379 -0.692 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)NCCCN2CCN(C(=O)[O-])CC2)CCO1 ZINC000828663293 603843870 /nfs/dbraw/zinc/84/38/70/603843870.db2.gz KHVWUMRJWMTJMO-CYBMUJFWSA-N -1 0 372.422 -0.354 20 0 FBADRM COC(=O)C[C@H]1CN(C(=O)NCCCN2CCN(C(=O)[O-])CC2)CCO1 ZINC000828663294 603843810 /nfs/dbraw/zinc/84/38/10/603843810.db2.gz KHVWUMRJWMTJMO-ZDUSSCGKSA-N -1 0 372.422 -0.354 20 0 FBADRM COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)CCO1 ZINC000828663519 603723048 /nfs/dbraw/zinc/72/30/48/603723048.db2.gz NMPSUSIMUQWCII-JTQLQIEISA-N -1 0 366.330 -0.100 20 0 FBADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)CCO1 ZINC000828663520 603722752 /nfs/dbraw/zinc/72/27/52/603722752.db2.gz NMPSUSIMUQWCII-SNVBAGLBSA-N -1 0 366.330 -0.100 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000828670399 603508638 /nfs/dbraw/zinc/50/86/38/603508638.db2.gz FVYPDCSWTWYQSN-NXEZZACHSA-N -1 0 367.424 -0.181 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000828670401 603509002 /nfs/dbraw/zinc/50/90/02/603509002.db2.gz FVYPDCSWTWYQSN-UWVGGRQHSA-N -1 0 367.424 -0.181 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000828670403 603508798 /nfs/dbraw/zinc/50/87/98/603508798.db2.gz FVYPDCSWTWYQSN-VHSXEESVSA-N -1 0 367.424 -0.181 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-] ZINC000828670404 603509057 /nfs/dbraw/zinc/50/90/57/603509057.db2.gz FVYPDCSWTWYQSN-ZJUUUORDSA-N -1 0 367.424 -0.181 20 0 FBADRM COC(=O)CCN(C(=O)CN1CCN(C(=O)[O-])CC1=O)C1CCOCC1 ZINC000828670656 603232919 /nfs/dbraw/zinc/23/29/19/603232919.db2.gz IVTFFIVYSXMZFB-UHFFFAOYSA-N -1 0 371.390 -0.621 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000828670953 603910967 /nfs/dbraw/zinc/91/09/67/603910967.db2.gz NYUQACLXTWKCBR-UHFFFAOYSA-N -1 0 366.440 -0.999 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828671758 604493409 /nfs/dbraw/zinc/49/34/09/604493409.db2.gz YMELORIRKJFMNN-NXEZZACHSA-N -1 0 353.397 -0.917 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000828671760 604493380 /nfs/dbraw/zinc/49/33/80/604493380.db2.gz YMELORIRKJFMNN-UWVGGRQHSA-N -1 0 353.397 -0.917 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000828671761 604493398 /nfs/dbraw/zinc/49/33/98/604493398.db2.gz YMELORIRKJFMNN-VHSXEESVSA-N -1 0 353.397 -0.917 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828671763 604493427 /nfs/dbraw/zinc/49/34/27/604493427.db2.gz YMELORIRKJFMNN-ZJUUUORDSA-N -1 0 353.397 -0.917 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000828672613 661128647 /nfs/dbraw/zinc/12/86/47/661128647.db2.gz GISUEDXISXYONB-UHFFFAOYSA-N -1 0 355.372 -0.179 20 0 FBADRM COC(=O)CCc1nc(CN2C(=O)N[C@]3(CCN(C(=O)[O-])C3)C2=O)no1 ZINC000828674272 605344906 /nfs/dbraw/zinc/34/49/06/605344906.db2.gz AIBYOJBQIPWTMH-AWEZNQCLSA-N -1 0 367.318 -0.651 20 0 FBADRM COC(=O)CCc1nc(CN2C(=O)N[C@@]3(CCN(C(=O)[O-])C3)C2=O)no1 ZINC000828674274 605344594 /nfs/dbraw/zinc/34/45/94/605344594.db2.gz AIBYOJBQIPWTMH-CQSZACIVSA-N -1 0 367.318 -0.651 20 0 FBADRM CC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000828676897 601480110 /nfs/dbraw/zinc/48/01/10/601480110.db2.gz HJNXCQGFVSLYGT-AWEZNQCLSA-N -1 0 370.387 -0.044 20 0 FBADRM CC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000828676898 601479941 /nfs/dbraw/zinc/47/99/41/601479941.db2.gz HJNXCQGFVSLYGT-CQSZACIVSA-N -1 0 370.387 -0.044 20 0 FBADRM COC1(C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)CS(=O)(=O)C1 ZINC000828682016 661128896 /nfs/dbraw/zinc/12/88/96/661128896.db2.gz WRWLJXKWWQELCS-JTQLQIEISA-N -1 0 358.338 -0.531 20 0 FBADRM COC1(C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)CS(=O)(=O)C1 ZINC000828682017 661128857 /nfs/dbraw/zinc/12/88/57/661128857.db2.gz WRWLJXKWWQELCS-SNVBAGLBSA-N -1 0 358.338 -0.531 20 0 FBADRM COC(=O)CN(CCN1CCOCC1)C(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000828682672 602897126 /nfs/dbraw/zinc/89/71/26/602897126.db2.gz AUSZTJUGRJFGKO-CYBMUJFWSA-N -1 0 357.407 -0.147 20 0 FBADRM COC(=O)CN(CCN1CCOCC1)C(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000828682675 602897041 /nfs/dbraw/zinc/89/70/41/602897041.db2.gz AUSZTJUGRJFGKO-ZDUSSCGKSA-N -1 0 357.407 -0.147 20 0 FBADRM COC(=O)CN(CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O)C1CC1 ZINC000828682768 603688393 /nfs/dbraw/zinc/68/83/93/603688393.db2.gz BZDLQIAUAFCONL-UHFFFAOYSA-N -1 0 354.363 -0.354 20 0 FBADRM COC(=O)CN(C(=O)CN1CCC(NC(=O)[O-])CC1)C1CCOCC1 ZINC000828683063 605757297 /nfs/dbraw/zinc/75/72/97/605757297.db2.gz FXLMQTARKABMKB-UHFFFAOYSA-N -1 0 357.407 -0.101 20 0 FBADRM COC(=O)CNC(=O)c1ccc(NC(=O)COC2CN(C(=O)[O-])C2)cc1 ZINC000828683425 603763622 /nfs/dbraw/zinc/76/36/22/603763622.db2.gz JQVWTCZHYAZZIU-UHFFFAOYSA-N -1 0 365.342 -0.093 20 0 FBADRM COC(=O)CN(CCN1CCOCC1)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000828683651 603632724 /nfs/dbraw/zinc/63/27/24/603632724.db2.gz KMYWCZSIGQOYIV-CHWSQXEVSA-N -1 0 357.407 -0.244 20 0 FBADRM COC(=O)CN(CCN1CCOCC1)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000828683652 603632643 /nfs/dbraw/zinc/63/26/43/603632643.db2.gz KMYWCZSIGQOYIV-OLZOCXBDSA-N -1 0 357.407 -0.244 20 0 FBADRM COC(=O)CN(CCN1CCOCC1)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000828683653 603632713 /nfs/dbraw/zinc/63/27/13/603632713.db2.gz KMYWCZSIGQOYIV-QWHCGFSZSA-N -1 0 357.407 -0.244 20 0 FBADRM COC(=O)CN(CCN1CCOCC1)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000828683654 603632529 /nfs/dbraw/zinc/63/25/29/603632529.db2.gz KMYWCZSIGQOYIV-STQMWFEESA-N -1 0 357.407 -0.244 20 0 FBADRM COC(=O)CNS(=O)(=O)c1cccc(NC(=O)C2(NC(=O)[O-])CC2)c1 ZINC000828684293 604430820 /nfs/dbraw/zinc/43/08/20/604430820.db2.gz SMVPVWXEXJJMKI-UHFFFAOYSA-N -1 0 371.371 -0.123 20 0 FBADRM COC(=O)CN(CCN1CCOCC1)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828684363 604863048 /nfs/dbraw/zinc/86/30/48/604863048.db2.gz UDRLEBIOLDRSHF-CYBMUJFWSA-N -1 0 373.406 -0.911 20 0 FBADRM COC(=O)CN(CCN1CCOCC1)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828684365 604863160 /nfs/dbraw/zinc/86/31/60/604863160.db2.gz UDRLEBIOLDRSHF-ZDUSSCGKSA-N -1 0 373.406 -0.911 20 0 FBADRM COC(=O)CNC(=O)c1ccc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000828684378 604663110 /nfs/dbraw/zinc/66/31/10/604663110.db2.gz ULMMZAGCKMEIPQ-GFCCVEGCSA-N -1 0 365.342 -0.093 20 0 FBADRM COC(=O)CNC(=O)c1ccc(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000828684380 604663139 /nfs/dbraw/zinc/66/31/39/604663139.db2.gz ULMMZAGCKMEIPQ-LBPRGKRZSA-N -1 0 365.342 -0.093 20 0 FBADRM COC(=O)CN(CCN1CCOCC1)C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828684654 603899557 /nfs/dbraw/zinc/89/95/57/603899557.db2.gz ZUJFSVFLNMCVNL-HNNXBMFYSA-N -1 0 361.370 -0.588 20 0 FBADRM COC(=O)CN(CCN1CCOCC1)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000828684655 603900049 /nfs/dbraw/zinc/90/00/49/603900049.db2.gz ZUJFSVFLNMCVNL-OAHLLOKOSA-N -1 0 361.370 -0.588 20 0 FBADRM CC[C@@](C)(NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000828686259 601938745 /nfs/dbraw/zinc/93/87/45/601938745.db2.gz XRKYOCPWVAYEMF-BJOHPYRUSA-N -1 0 371.415 -0.178 20 0 FBADRM CC[C@](C)(NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000828686260 601938497 /nfs/dbraw/zinc/93/84/97/601938497.db2.gz XRKYOCPWVAYEMF-PSLIRLAXSA-N -1 0 371.415 -0.178 20 0 FBADRM CC[C@@](C)(NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000828686261 601938539 /nfs/dbraw/zinc/93/85/39/601938539.db2.gz XRKYOCPWVAYEMF-RFAUZJTJSA-N -1 0 371.415 -0.178 20 0 FBADRM CC[C@](C)(NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000828686262 601938584 /nfs/dbraw/zinc/93/85/84/601938584.db2.gz XRKYOCPWVAYEMF-VFZGTOFNSA-N -1 0 371.415 -0.178 20 0 FBADRM COC(=O)COc1cccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000828689253 603804150 /nfs/dbraw/zinc/80/41/50/603804150.db2.gz PRKLTIUMDQCOLD-AAEUAGOBSA-N -1 0 352.343 -0.032 20 0 FBADRM COC(=O)COc1cccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000828689254 603803634 /nfs/dbraw/zinc/80/36/34/603803634.db2.gz PRKLTIUMDQCOLD-DGCLKSJQSA-N -1 0 352.343 -0.032 20 0 FBADRM COC(=O)COc1cccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000828689256 603803693 /nfs/dbraw/zinc/80/36/93/603803693.db2.gz PRKLTIUMDQCOLD-WCQYABFASA-N -1 0 352.343 -0.032 20 0 FBADRM COC(=O)COc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000828689257 603803536 /nfs/dbraw/zinc/80/35/36/603803536.db2.gz PRKLTIUMDQCOLD-YPMHNXCESA-N -1 0 352.343 -0.032 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N(C)CC(C)(C)CNC(=O)[O-])cn1 ZINC000828699206 603452857 /nfs/dbraw/zinc/45/28/57/603452857.db2.gz CXVJQVHDRCBFCP-UHFFFAOYSA-N -1 0 362.408 -0.030 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCC[C@H](N(C)C(=O)[O-])C2)cn1 ZINC000828699232 603111482 /nfs/dbraw/zinc/11/14/82/603111482.db2.gz DDHUNHFVACNMTC-JTQLQIEISA-N -1 0 360.392 -0.181 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCC[C@@H](N(C)C(=O)[O-])C2)cn1 ZINC000828699235 603111192 /nfs/dbraw/zinc/11/11/92/603111192.db2.gz DDHUNHFVACNMTC-SNVBAGLBSA-N -1 0 360.392 -0.181 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCCC[C@H]2CNC(=O)[O-])cn1 ZINC000828699366 603108076 /nfs/dbraw/zinc/10/80/76/603108076.db2.gz FYBGZROOIZMVPB-JTQLQIEISA-N -1 0 360.392 -0.133 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCCC[C@@H]2CNC(=O)[O-])cn1 ZINC000828699367 603107960 /nfs/dbraw/zinc/10/79/60/603107960.db2.gz FYBGZROOIZMVPB-SNVBAGLBSA-N -1 0 360.392 -0.133 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCC(N(C)C(=O)[O-])CC2)cn1 ZINC000828699446 603115620 /nfs/dbraw/zinc/11/56/20/603115620.db2.gz GSUZHNACGFWFJC-UHFFFAOYSA-N -1 0 360.392 -0.181 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)cn1 ZINC000828699451 605550588 /nfs/dbraw/zinc/55/05/88/605550588.db2.gz GWYBSHQJDNILIG-LLVKDONJSA-N -1 0 372.403 -0.039 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N(C2CC2)[C@H]2CCN(C(=O)[O-])C2)cn1 ZINC000828699452 605550449 /nfs/dbraw/zinc/55/04/49/605550449.db2.gz GWYBSHQJDNILIG-NSHDSACASA-N -1 0 372.403 -0.039 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@](C)(CNC(=O)[O-])C2CC2)cn1 ZINC000828699462 603115807 /nfs/dbraw/zinc/11/58/07/603115807.db2.gz HEOKDXPOOBDIRP-CYBMUJFWSA-N -1 0 360.392 -0.229 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@@](C)(CNC(=O)[O-])C2CC2)cn1 ZINC000828699463 603115615 /nfs/dbraw/zinc/11/56/15/603115615.db2.gz HEOKDXPOOBDIRP-ZDUSSCGKSA-N -1 0 360.392 -0.229 20 0 FBADRM COC(=O)Cc1nc(NC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000828699563 603809216 /nfs/dbraw/zinc/80/92/16/603809216.db2.gz IFOYNXJHMWGZEE-UHFFFAOYSA-N -1 0 354.367 -0.467 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000828699594 603111502 /nfs/dbraw/zinc/11/15/02/603111502.db2.gz INQPTUDPLLOESO-JTQLQIEISA-N -1 0 360.392 -0.276 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)NC[C@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000828699596 603111531 /nfs/dbraw/zinc/11/15/31/603111531.db2.gz INQPTUDPLLOESO-SNVBAGLBSA-N -1 0 360.392 -0.276 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cn1 ZINC000828699597 603120379 /nfs/dbraw/zinc/12/03/79/603120379.db2.gz IODGDPRBNGPAFW-GXSJLCMTSA-N -1 0 360.392 -0.277 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)cn1 ZINC000828699600 603120525 /nfs/dbraw/zinc/12/05/25/603120525.db2.gz IODGDPRBNGPAFW-KOLCDFICSA-N -1 0 360.392 -0.277 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cn1 ZINC000828699636 603120610 /nfs/dbraw/zinc/12/06/10/603120610.db2.gz IODGDPRBNGPAFW-MWLCHTKSSA-N -1 0 360.392 -0.277 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cn1 ZINC000828699638 603120555 /nfs/dbraw/zinc/12/05/55/603120555.db2.gz IODGDPRBNGPAFW-ONGXEEELSA-N -1 0 360.392 -0.277 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)NCC2CCN(C(=O)[O-])CC2)cn1 ZINC000828699738 603110036 /nfs/dbraw/zinc/11/00/36/603110036.db2.gz KHVSYUOZHNFHIY-UHFFFAOYSA-N -1 0 360.392 -0.276 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)cn1 ZINC000828699757 603113394 /nfs/dbraw/zinc/11/33/94/603113394.db2.gz KRMOMTZDDJGEBW-JTQLQIEISA-N -1 0 360.392 -0.324 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)cn1 ZINC000828699758 603113273 /nfs/dbraw/zinc/11/32/73/603113273.db2.gz KRMOMTZDDJGEBW-SNVBAGLBSA-N -1 0 360.392 -0.324 20 0 FBADRM COC(=O)Cc1csc(NC(=O)Cn2nnnc2CNC(=O)[O-])n1 ZINC000828699761 604032087 /nfs/dbraw/zinc/03/20/87/604032087.db2.gz KVQOIZTUYLVPBW-UHFFFAOYSA-N -1 0 355.336 -0.749 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CC[C@@H](NC(=O)[O-])C[C@H]2C)cn1 ZINC000828699770 605541521 /nfs/dbraw/zinc/54/15/21/605541521.db2.gz LKBWCNRZDHQTFQ-NXEZZACHSA-N -1 0 360.392 -0.135 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CC[C@H](NC(=O)[O-])C[C@@H]2C)cn1 ZINC000828699771 605541658 /nfs/dbraw/zinc/54/16/58/605541658.db2.gz LKBWCNRZDHQTFQ-UWVGGRQHSA-N -1 0 360.392 -0.135 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CC[C@@H](NC(=O)[O-])C[C@@H]2C)cn1 ZINC000828699772 605541445 /nfs/dbraw/zinc/54/14/45/605541445.db2.gz LKBWCNRZDHQTFQ-VHSXEESVSA-N -1 0 360.392 -0.135 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CC[C@H](NC(=O)[O-])C[C@H]2C)cn1 ZINC000828699773 605541436 /nfs/dbraw/zinc/54/14/36/605541436.db2.gz LKBWCNRZDHQTFQ-ZJUUUORDSA-N -1 0 360.392 -0.135 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)cn1 ZINC000828699914 603116975 /nfs/dbraw/zinc/11/69/75/603116975.db2.gz MYZHTBKZNFYQPR-AOOOYVTPSA-N -1 0 360.392 -0.183 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2C[C@@H](C)N(C(=O)[O-])[C@H](C)C2)cn1 ZINC000828699915 603117788 /nfs/dbraw/zinc/11/77/88/603117788.db2.gz MYZHTBKZNFYQPR-NXEZZACHSA-N -1 0 360.392 -0.183 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2C[C@H](C)N(C(=O)[O-])[C@@H](C)C2)cn1 ZINC000828699916 603117736 /nfs/dbraw/zinc/11/77/36/603117736.db2.gz MYZHTBKZNFYQPR-UWVGGRQHSA-N -1 0 360.392 -0.183 20 0 FBADRM COC(=O)Cn1cc([C@@H](C)OC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)nn1 ZINC000828699920 605265665 /nfs/dbraw/zinc/26/56/65/605265665.db2.gz NHAQMLDKNZWBNI-NXEZZACHSA-N -1 0 356.335 -0.176 20 0 FBADRM COC(=O)Cn1cc([C@H](C)OC(=O)C[C@H]2CN(C(=O)[O-])CCO2)nn1 ZINC000828699921 605265621 /nfs/dbraw/zinc/26/56/21/605265621.db2.gz NHAQMLDKNZWBNI-UWVGGRQHSA-N -1 0 356.335 -0.176 20 0 FBADRM COC(=O)Cn1cc([C@H](C)OC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)nn1 ZINC000828699922 605265645 /nfs/dbraw/zinc/26/56/45/605265645.db2.gz NHAQMLDKNZWBNI-VHSXEESVSA-N -1 0 356.335 -0.176 20 0 FBADRM COC(=O)Cn1cc([C@@H](C)OC(=O)C[C@H]2CN(C(=O)[O-])CCO2)nn1 ZINC000828699923 605265678 /nfs/dbraw/zinc/26/56/78/605265678.db2.gz NHAQMLDKNZWBNI-ZJUUUORDSA-N -1 0 356.335 -0.176 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCC[C@@H](CNC(=O)[O-])C2)cn1 ZINC000828699981 603107915 /nfs/dbraw/zinc/10/79/15/603107915.db2.gz OREDEAUSSQSYQU-JTQLQIEISA-N -1 0 360.392 -0.276 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCC[C@H](CNC(=O)[O-])C2)cn1 ZINC000828699982 603108239 /nfs/dbraw/zinc/10/82/39/603108239.db2.gz OREDEAUSSQSYQU-SNVBAGLBSA-N -1 0 360.392 -0.276 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)NCC[C@H]2CCN(C(=O)[O-])C2)cn1 ZINC000828699989 603114553 /nfs/dbraw/zinc/11/45/53/603114553.db2.gz OXYGJUQWEKVRIM-JTQLQIEISA-N -1 0 360.392 -0.276 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)cn1 ZINC000828699990 603114449 /nfs/dbraw/zinc/11/44/49/603114449.db2.gz OXYGJUQWEKVRIM-SNVBAGLBSA-N -1 0 360.392 -0.276 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCC[C@H]2CN(C)C(=O)[O-])cn1 ZINC000828700112 603152348 /nfs/dbraw/zinc/15/23/48/603152348.db2.gz PPFQIDRRRYLDNF-JTQLQIEISA-N -1 0 360.392 -0.181 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCC[C@@H]2CN(C)C(=O)[O-])cn1 ZINC000828700113 603152626 /nfs/dbraw/zinc/15/26/26/603152626.db2.gz PPFQIDRRRYLDNF-SNVBAGLBSA-N -1 0 360.392 -0.181 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N(C)C2CCN(C(=O)[O-])CC2)cn1 ZINC000828700126 603106485 /nfs/dbraw/zinc/10/64/85/603106485.db2.gz PYWMLVRRGJDPJL-UHFFFAOYSA-N -1 0 360.392 -0.181 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCN(C(=O)[O-])CC2(C)C)cn1 ZINC000828700130 603758232 /nfs/dbraw/zinc/75/82/32/603758232.db2.gz PZVHLSJUBBXAGY-UHFFFAOYSA-N -1 0 360.392 -0.181 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@H]2CCCCN(C(=O)[O-])C2)cn1 ZINC000828700170 603117694 /nfs/dbraw/zinc/11/76/94/603117694.db2.gz QHGTUMKWMPKZJN-JTQLQIEISA-N -1 0 360.392 -0.133 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@@H]2CCCCN(C(=O)[O-])C2)cn1 ZINC000828700172 603117699 /nfs/dbraw/zinc/11/76/99/603117699.db2.gz QHGTUMKWMPKZJN-SNVBAGLBSA-N -1 0 360.392 -0.133 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCC(CNC(=O)[O-])CC2)cn1 ZINC000828700196 603110062 /nfs/dbraw/zinc/11/00/62/603110062.db2.gz QUAITPMXBDYZTL-UHFFFAOYSA-N -1 0 360.392 -0.276 20 0 FBADRM COC(=O)Cn1ccc(NC(=O)NCCCN2CCN(C(=O)[O-])CC2)n1 ZINC000828700357 603994568 /nfs/dbraw/zinc/99/45/68/603994568.db2.gz TYSJMAWWGCYZIG-UHFFFAOYSA-N -1 0 368.394 -0.137 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])cn1 ZINC000828700487 603129447 /nfs/dbraw/zinc/12/94/47/603129447.db2.gz WDKPXIKOOJIYRM-GXSJLCMTSA-N -1 0 360.392 -0.229 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])cn1 ZINC000828700488 603129333 /nfs/dbraw/zinc/12/93/33/603129333.db2.gz WDKPXIKOOJIYRM-KOLCDFICSA-N -1 0 360.392 -0.229 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])cn1 ZINC000828700489 603129148 /nfs/dbraw/zinc/12/91/48/603129148.db2.gz WDKPXIKOOJIYRM-MWLCHTKSSA-N -1 0 360.392 -0.229 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])cn1 ZINC000828700490 603129294 /nfs/dbraw/zinc/12/92/94/603129294.db2.gz WDKPXIKOOJIYRM-ONGXEEELSA-N -1 0 360.392 -0.229 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)NC2(CNC(=O)[O-])CCCC2)cn1 ZINC000828700636 603115640 /nfs/dbraw/zinc/11/56/40/603115640.db2.gz XWFHRERVVXUVPP-UHFFFAOYSA-N -1 0 360.392 -0.085 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)NC[C@@H]2CCCCN2C(=O)[O-])cn1 ZINC000828700765 603107789 /nfs/dbraw/zinc/10/77/89/603107789.db2.gz ZETMYYNQTIGIKB-JTQLQIEISA-N -1 0 360.392 -0.133 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)NC[C@H]2CCCCN2C(=O)[O-])cn1 ZINC000828700767 603108283 /nfs/dbraw/zinc/10/82/83/603108283.db2.gz ZETMYYNQTIGIKB-SNVBAGLBSA-N -1 0 360.392 -0.133 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)NC2CCC(NC(=O)[O-])CC2)cn1 ZINC000828700849 603120459 /nfs/dbraw/zinc/12/04/59/603120459.db2.gz ZVHYUDNQUIKEIU-UHFFFAOYSA-N -1 0 360.392 -0.087 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])cn1 ZINC000828700869 604047051 /nfs/dbraw/zinc/04/70/51/604047051.db2.gz ZYWPCCRBLUSPLG-MNOVXSKESA-N -1 0 372.403 -0.039 20 0 FBADRM COC(=O)N1CC(NC(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)C1 ZINC000828704939 605296906 /nfs/dbraw/zinc/29/69/06/605296906.db2.gz QPUKHXAOEMNFOJ-UHFFFAOYSA-N -1 0 352.351 -0.227 20 0 FBADRM COC(=O)N1CC(NC(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)C1 ZINC000828705672 605232146 /nfs/dbraw/zinc/23/21/46/605232146.db2.gz YAXPKTZJPROCHD-JTQLQIEISA-N -1 0 371.394 -0.758 20 0 FBADRM COC(=O)N1CC(NC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)C1 ZINC000828705673 605232132 /nfs/dbraw/zinc/23/21/32/605232132.db2.gz YAXPKTZJPROCHD-SNVBAGLBSA-N -1 0 371.394 -0.758 20 0 FBADRM COC(=O)N[C@@H](C(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1)C(C)C ZINC000828712894 603955577 /nfs/dbraw/zinc/95/55/77/603955577.db2.gz BWIIZOLJTCIERN-SECBINFHSA-N -1 0 369.382 -0.076 20 0 FBADRM COC(=O)N[C@H](C(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1)C(C)C ZINC000828712895 603957312 /nfs/dbraw/zinc/95/73/12/603957312.db2.gz BWIIZOLJTCIERN-VIFPVBQESA-N -1 0 369.382 -0.076 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCC([C@]2(C)NC(=O)NC2=O)CC1)C(=O)[O-] ZINC000828714446 601538818 /nfs/dbraw/zinc/53/88/18/601538818.db2.gz AMKVCBMSFKAHNQ-GDKCJGSASA-N -1 0 368.434 -0.088 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCC([C@@]2(C)NC(=O)NC2=O)CC1)C(=O)[O-] ZINC000828714448 601538804 /nfs/dbraw/zinc/53/88/04/601538804.db2.gz AMKVCBMSFKAHNQ-MNRXQERYSA-N -1 0 368.434 -0.088 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)CN1CCC([C@@]2(C)NC(=O)NC2=O)CC1)C(=O)[O-] ZINC000828714450 601538836 /nfs/dbraw/zinc/53/88/36/601538836.db2.gz AMKVCBMSFKAHNQ-SIMVJXQJSA-N -1 0 368.434 -0.088 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)CN1CCC([C@]2(C)NC(=O)NC2=O)CC1)C(=O)[O-] ZINC000828714452 601538631 /nfs/dbraw/zinc/53/86/31/601538631.db2.gz AMKVCBMSFKAHNQ-SVKFGRERSA-N -1 0 368.434 -0.088 20 0 FBADRM COC(=O)NCCCC(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000828715158 603961709 /nfs/dbraw/zinc/96/17/09/603961709.db2.gz XKSCNHMWZUWHFT-UHFFFAOYSA-N -1 0 355.355 -0.321 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)[O-] ZINC000828715308 600677465 /nfs/dbraw/zinc/67/74/65/600677465.db2.gz COJAYGZIVUHMND-GZMMTYOYSA-N -1 0 357.363 -0.525 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)COC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)[O-] ZINC000828715315 600677443 /nfs/dbraw/zinc/67/74/43/600677443.db2.gz COJAYGZIVUHMND-KCJUWKMLSA-N -1 0 357.363 -0.525 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)[O-] ZINC000828715321 600677618 /nfs/dbraw/zinc/67/76/18/600677618.db2.gz COJAYGZIVUHMND-KWQFWETISA-N -1 0 357.363 -0.525 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)COC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)[O-] ZINC000828715327 600677598 /nfs/dbraw/zinc/67/75/98/600677598.db2.gz COJAYGZIVUHMND-LDYMZIIASA-N -1 0 357.363 -0.525 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN(c2nc(N)ns2)CC1)C(=O)[O-] ZINC000828715407 602328386 /nfs/dbraw/zinc/32/83/86/602328386.db2.gz CQTHNHPNXBSVGA-GXSJLCMTSA-N -1 0 356.452 -0.142 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)CN1CCN(c2nc(N)ns2)CC1)C(=O)[O-] ZINC000828715411 602328378 /nfs/dbraw/zinc/32/83/78/602328378.db2.gz CQTHNHPNXBSVGA-KOLCDFICSA-N -1 0 356.452 -0.142 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)CN1CCN(c2nc(N)ns2)CC1)C(=O)[O-] ZINC000828715415 602328157 /nfs/dbraw/zinc/32/81/57/602328157.db2.gz CQTHNHPNXBSVGA-MWLCHTKSSA-N -1 0 356.452 -0.142 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN(c2nc(N)ns2)CC1)C(=O)[O-] ZINC000828715421 602328153 /nfs/dbraw/zinc/32/81/53/602328153.db2.gz CQTHNHPNXBSVGA-ONGXEEELSA-N -1 0 356.452 -0.142 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN(c2nccn(C)c2=O)CC1)C(=O)[O-] ZINC000828715424 600800869 /nfs/dbraw/zinc/80/08/69/600800869.db2.gz CTAKJJTTYBERIZ-GXTWGEPZSA-N -1 0 365.434 -0.482 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN(c2nccn(C)c2=O)CC1)C(=O)[O-] ZINC000828715433 600801035 /nfs/dbraw/zinc/80/10/35/600801035.db2.gz CTAKJJTTYBERIZ-JSGCOSHPSA-N -1 0 365.434 -0.482 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)CN1CCN(c2nccn(C)c2=O)CC1)C(=O)[O-] ZINC000828715436 600800990 /nfs/dbraw/zinc/80/09/90/600800990.db2.gz CTAKJJTTYBERIZ-OCCSQVGLSA-N -1 0 365.434 -0.482 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)CN1CCN(c2nccn(C)c2=O)CC1)C(=O)[O-] ZINC000828715440 600800877 /nfs/dbraw/zinc/80/08/77/600800877.db2.gz CTAKJJTTYBERIZ-TZMCWYRMSA-N -1 0 365.434 -0.482 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN2C(=O)N(CC)C(=O)[C@H]2C1)C(=O)[O-] ZINC000828718718 601466482 /nfs/dbraw/zinc/46/64/82/601466482.db2.gz NXNRNIXLDVPMSG-DMDPSCGWSA-N -1 0 354.407 -0.430 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)C(=O)[O-] ZINC000828718719 601466452 /nfs/dbraw/zinc/46/64/52/601466452.db2.gz NXNRNIXLDVPMSG-GMXVVIOVSA-N -1 0 354.407 -0.430 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)C(=O)[O-] ZINC000828718720 601466455 /nfs/dbraw/zinc/46/64/55/601466455.db2.gz NXNRNIXLDVPMSG-GVXVVHGQSA-N -1 0 354.407 -0.430 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN2C(=O)N(CC)C(=O)[C@H]2C1)C(=O)[O-] ZINC000828718721 601466407 /nfs/dbraw/zinc/46/64/07/601466407.db2.gz NXNRNIXLDVPMSG-LOWVWBTDSA-N -1 0 354.407 -0.430 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)CN1CCN(c2cnn(C)c2)C(=O)C1)C(=O)[O-] ZINC000828719034 601423816 /nfs/dbraw/zinc/42/38/16/601423816.db2.gz PCWVUPVMLSBZBO-ABAIWWIYSA-N -1 0 351.407 -0.316 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)CN1CCN(c2cnn(C)c2)C(=O)C1)C(=O)[O-] ZINC000828719035 601423790 /nfs/dbraw/zinc/42/37/90/601423790.db2.gz PCWVUPVMLSBZBO-IAQYHMDHSA-N -1 0 351.407 -0.316 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN(c2cnn(C)c2)C(=O)C1)C(=O)[O-] ZINC000828719036 601423908 /nfs/dbraw/zinc/42/39/08/601423908.db2.gz PCWVUPVMLSBZBO-NHYWBVRUSA-N -1 0 351.407 -0.316 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN(c2cnn(C)c2)C(=O)C1)C(=O)[O-] ZINC000828719037 601425009 /nfs/dbraw/zinc/42/50/09/601425009.db2.gz PCWVUPVMLSBZBO-XHDPSFHLSA-N -1 0 351.407 -0.316 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)Cn1cnc2c1ncnc2N)C(=O)[O-] ZINC000828719252 601473580 /nfs/dbraw/zinc/47/35/80/601473580.db2.gz PKOODDVPWAHUKD-GZMMTYOYSA-N -1 0 364.362 -0.433 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)COC(=O)Cn1cnc2c1ncnc2N)C(=O)[O-] ZINC000828719253 601473532 /nfs/dbraw/zinc/47/35/32/601473532.db2.gz PKOODDVPWAHUKD-KCJUWKMLSA-N -1 0 364.362 -0.433 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)Cn1cnc2c1ncnc2N)C(=O)[O-] ZINC000828719255 601473527 /nfs/dbraw/zinc/47/35/27/601473527.db2.gz PKOODDVPWAHUKD-KWQFWETISA-N -1 0 364.362 -0.433 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)COC(=O)Cn1cnc2c1ncnc2N)C(=O)[O-] ZINC000828719257 601473460 /nfs/dbraw/zinc/47/34/60/601473460.db2.gz PKOODDVPWAHUKD-LDYMZIIASA-N -1 0 364.362 -0.433 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)COC(=O)C1CC2(C1)NC(=O)NC2=O)C(=O)[O-] ZINC000828719871 604606671 /nfs/dbraw/zinc/60/66/71/604606671.db2.gz SPGVQIGHAPUPFL-DVEKVDKKSA-N -1 0 355.347 -0.867 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)C1CC2(C1)NC(=O)NC2=O)C(=O)[O-] ZINC000828719879 604606510 /nfs/dbraw/zinc/60/65/10/604606510.db2.gz SPGVQIGHAPUPFL-QGXYUUENSA-N -1 0 355.347 -0.867 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)COC(=O)C1CC2(C1)NC(=O)NC2=O)C(=O)[O-] ZINC000828719882 604606211 /nfs/dbraw/zinc/60/62/11/604606211.db2.gz SPGVQIGHAPUPFL-XVXBXDTGSA-N -1 0 355.347 -0.867 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)C1CC2(C1)NC(=O)NC2=O)C(=O)[O-] ZINC000828719885 604606559 /nfs/dbraw/zinc/60/65/59/604606559.db2.gz SPGVQIGHAPUPFL-ZHOMDVHISA-N -1 0 355.347 -0.867 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)COC(=O)C(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000828719928 601356397 /nfs/dbraw/zinc/35/63/97/601356397.db2.gz TWYOMJUWVFNWBQ-PSASIEDQSA-N -1 0 352.409 -0.527 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)COC(=O)C(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000828719929 601356374 /nfs/dbraw/zinc/35/63/74/601356374.db2.gz TWYOMJUWVFNWBQ-SCZZXKLOSA-N -1 0 352.409 -0.527 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)C(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000828719930 601356431 /nfs/dbraw/zinc/35/64/31/601356431.db2.gz TWYOMJUWVFNWBQ-WCBMZHEXSA-N -1 0 352.409 -0.527 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)COC(=O)C(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC000828719931 601356408 /nfs/dbraw/zinc/35/64/08/601356408.db2.gz TWYOMJUWVFNWBQ-WPRPVWTQSA-N -1 0 352.409 -0.527 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN(Cc2nnc(C)n2C)CC1)C(=O)[O-] ZINC000828720697 601001405 /nfs/dbraw/zinc/00/14/05/601001405.db2.gz YLBBOPDJJSBCOQ-BLLLJJGKSA-N -1 0 366.466 -0.143 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN(Cc2nnc(C)n2C)CC1)C(=O)[O-] ZINC000828720698 601001935 /nfs/dbraw/zinc/00/19/35/601001935.db2.gz YLBBOPDJJSBCOQ-LRDDRELGSA-N -1 0 366.466 -0.143 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)CN1CCN(Cc2nnc(C)n2C)CC1)C(=O)[O-] ZINC000828720699 601001973 /nfs/dbraw/zinc/00/19/73/601001973.db2.gz YLBBOPDJJSBCOQ-MLGOLLRUSA-N -1 0 366.466 -0.143 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)CN1CCN(Cc2nnc(C)n2C)CC1)C(=O)[O-] ZINC000828720700 601001698 /nfs/dbraw/zinc/00/16/98/601001698.db2.gz YLBBOPDJJSBCOQ-WBMJQRKESA-N -1 0 366.466 -0.143 20 0 FBADRM COC(=O)Nc1ccc(CNC(=O)Cn2nnnc2CNC(=O)[O-])cc1 ZINC000828723482 605175585 /nfs/dbraw/zinc/17/55/85/605175585.db2.gz QABKKLAQAVEQQB-UHFFFAOYSA-N -1 0 363.334 -0.065 20 0 FBADRM COC(=O)[C@@H]1C[C@@H](O)CN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000828729541 604054148 /nfs/dbraw/zinc/05/41/48/604054148.db2.gz ASBLUMBIXHFELI-QPSCCSFWSA-N -1 0 352.387 -0.166 20 0 FBADRM COC(=O)c1[nH]c(C)c(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c1C ZINC000828730145 605659568 /nfs/dbraw/zinc/65/95/68/605659568.db2.gz GWWNLLZWHDCFKI-UHFFFAOYSA-N -1 0 366.374 -0.030 20 0 FBADRM COC(=O)c1cc(C(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)ccn1 ZINC000828738724 603529094 /nfs/dbraw/zinc/52/90/94/603529094.db2.gz JHTIZQZNEHPEJX-UHFFFAOYSA-N -1 0 364.358 -0.238 20 0 FBADRM COC(=O)c1cc(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)ccn1 ZINC000828741242 603530714 /nfs/dbraw/zinc/53/07/14/603530714.db2.gz YZVXNIBPWIGPDP-UHFFFAOYSA-N -1 0 350.331 -0.580 20 0 FBADRM CC[C@@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000828753340 600994479 /nfs/dbraw/zinc/99/44/79/600994479.db2.gz LLGCGDKWTNKRRD-NXEZZACHSA-N -1 0 353.466 -0.073 20 0 FBADRM CC[C@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000828753341 600994515 /nfs/dbraw/zinc/99/45/15/600994515.db2.gz LLGCGDKWTNKRRD-UWVGGRQHSA-N -1 0 353.466 -0.073 20 0 FBADRM CC[C@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000828753342 600994138 /nfs/dbraw/zinc/99/41/38/600994138.db2.gz LLGCGDKWTNKRRD-VHSXEESVSA-N -1 0 353.466 -0.073 20 0 FBADRM CC[C@@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000828753343 600994178 /nfs/dbraw/zinc/99/41/78/600994178.db2.gz LLGCGDKWTNKRRD-ZJUUUORDSA-N -1 0 353.466 -0.073 20 0 FBADRM CC[C@@H](C)NC(=O)CN1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000828753406 601274653 /nfs/dbraw/zinc/27/46/53/601274653.db2.gz MZBCBUZBXHJWGD-LLVKDONJSA-N -1 0 352.395 -0.965 20 0 FBADRM CC[C@H](C)NC(=O)CN1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000828753407 601274671 /nfs/dbraw/zinc/27/46/71/601274671.db2.gz MZBCBUZBXHJWGD-NSHDSACASA-N -1 0 352.395 -0.965 20 0 FBADRM COC(=O)c1cc(NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)cn1C ZINC000828754763 604331559 /nfs/dbraw/zinc/33/15/59/604331559.db2.gz MAWRVDLIEAVZIB-UHFFFAOYSA-N -1 0 367.362 -0.245 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N(C)CCN2CCN(C(=O)[O-])CC2)c[nH]1 ZINC000828756401 603114683 /nfs/dbraw/zinc/11/46/83/603114683.db2.gz WJUXWGGNYZXOOL-UHFFFAOYSA-N -1 0 374.419 -0.283 20 0 FBADRM CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000828759340 600993776 /nfs/dbraw/zinc/99/37/76/600993776.db2.gz SGIWWCKKUAPCGQ-GFCCVEGCSA-N -1 0 364.468 -0.830 20 0 FBADRM CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000828759342 600993945 /nfs/dbraw/zinc/99/39/45/600993945.db2.gz SGIWWCKKUAPCGQ-LBPRGKRZSA-N -1 0 364.468 -0.830 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])cn1C ZINC000828760476 604332244 /nfs/dbraw/zinc/33/22/44/604332244.db2.gz CSLKLGFYHJEJOM-JTQLQIEISA-N -1 0 374.419 -0.616 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])cn1C ZINC000828760477 604332045 /nfs/dbraw/zinc/33/20/45/604332045.db2.gz CSLKLGFYHJEJOM-SNVBAGLBSA-N -1 0 374.419 -0.616 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCCN2CCN(C(=O)[O-])CC2)cn1C ZINC000828760641 603468850 /nfs/dbraw/zinc/46/88/50/603468850.db2.gz DPTHJDNSDQVVIR-UHFFFAOYSA-N -1 0 374.419 -0.614 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCCCN2CCN(C(=O)[O-])CC2)c[nH]1 ZINC000828760859 603911303 /nfs/dbraw/zinc/91/13/03/603911303.db2.gz JCTCZMBZIWYAKC-UHFFFAOYSA-N -1 0 374.419 -0.235 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCCN2CCN(C(=O)[O-])CC2)c[nH]1 ZINC000828760869 603106556 /nfs/dbraw/zinc/10/65/56/603106556.db2.gz JKOPHSKDNISKSF-UHFFFAOYSA-N -1 0 360.392 -0.625 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])c[nH]1 ZINC000828761388 604332035 /nfs/dbraw/zinc/33/20/35/604332035.db2.gz SDMWQWPVKHWNHR-SECBINFHSA-N -1 0 360.392 -0.626 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])c[nH]1 ZINC000828761389 604332282 /nfs/dbraw/zinc/33/22/82/604332282.db2.gz SDMWQWPVKHWNHR-VIFPVBQESA-N -1 0 360.392 -0.626 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)c[nH]1 ZINC000828761639 604491264 /nfs/dbraw/zinc/49/12/64/604491264.db2.gz YGPCNMJBWYVLFQ-GZMMTYOYSA-N -1 0 361.376 -0.153 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)c[nH]1 ZINC000828761641 604491360 /nfs/dbraw/zinc/49/13/60/604491360.db2.gz YGPCNMJBWYVLFQ-KCJUWKMLSA-N -1 0 361.376 -0.153 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)c[nH]1 ZINC000828761643 604491535 /nfs/dbraw/zinc/49/15/35/604491535.db2.gz YGPCNMJBWYVLFQ-KWQFWETISA-N -1 0 361.376 -0.153 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)c[nH]1 ZINC000828761645 604491460 /nfs/dbraw/zinc/49/14/60/604491460.db2.gz YGPCNMJBWYVLFQ-LDYMZIIASA-N -1 0 361.376 -0.153 20 0 FBADRM CCC(CC)(CC(=O)[O-])NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000828779998 601304981 /nfs/dbraw/zinc/30/49/81/601304981.db2.gz PWQBOVPUZMUPGZ-UHFFFAOYSA-N -1 0 374.419 -0.458 20 0 FBADRM CCC(CC)(CC(=O)[O-])NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000828784864 601309448 /nfs/dbraw/zinc/30/94/48/601309448.db2.gz LOZNZXMLBHRTNQ-UHFFFAOYSA-N -1 0 365.390 -0.417 20 0 FBADRM CCC(CC)(CC(=O)[O-])NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000828784886 601305800 /nfs/dbraw/zinc/30/58/00/601305800.db2.gz NJQDSAKTNURAAA-UHFFFAOYSA-N -1 0 365.390 -0.417 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])o1 ZINC000828789417 603598943 /nfs/dbraw/zinc/59/89/43/603598943.db2.gz WRWLMMWPFYNIFD-SECBINFHSA-N -1 0 361.376 -0.362 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])o1 ZINC000828789421 603598583 /nfs/dbraw/zinc/59/85/83/603598583.db2.gz WRWLMMWPFYNIFD-VIFPVBQESA-N -1 0 361.376 -0.362 20 0 FBADRM COC(=O)c1ccc2c(c1)nc(Cn1nnnc1CNC(=O)[O-])[nH]c2=O ZINC000828793886 604032089 /nfs/dbraw/zinc/03/20/89/604032089.db2.gz PULIFJSBZHWBHA-UHFFFAOYSA-N -1 0 359.302 -0.076 20 0 FBADRM COC(=O)c1cnc(N(C)C(=O)CN2CCN(C(=O)[O-])CC2=O)s1 ZINC000828804365 604322428 /nfs/dbraw/zinc/32/24/28/604322428.db2.gz LTWPNBHHWKJOGL-UHFFFAOYSA-N -1 0 356.360 -0.285 20 0 FBADRM COC(=O)c1cn(CC(=O)NC[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])nn1 ZINC000828805400 603492012 /nfs/dbraw/zinc/49/20/12/603492012.db2.gz XACVCLCVECKXPY-PSASIEDQSA-N -1 0 355.351 -0.316 20 0 FBADRM COC(=O)c1cn(CC(=O)NC[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])nn1 ZINC000828805401 603492269 /nfs/dbraw/zinc/49/22/69/603492269.db2.gz XACVCLCVECKXPY-SCZZXKLOSA-N -1 0 355.351 -0.316 20 0 FBADRM COC(=O)c1cn(CC(=O)NC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])nn1 ZINC000828805402 603492442 /nfs/dbraw/zinc/49/24/42/603492442.db2.gz XACVCLCVECKXPY-WCBMZHEXSA-N -1 0 355.351 -0.316 20 0 FBADRM COC(=O)c1cn(CC(=O)NC[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])nn1 ZINC000828805403 603492449 /nfs/dbraw/zinc/49/24/49/603492449.db2.gz XACVCLCVECKXPY-WPRPVWTQSA-N -1 0 355.351 -0.316 20 0 FBADRM COC(=O)c1sc(N)c(C(=O)OC)c1Cn1nnnc1CNC(=O)[O-] ZINC000828809945 605175596 /nfs/dbraw/zinc/17/55/96/605175596.db2.gz MTRQVBBRPZZYEF-UHFFFAOYSA-N -1 0 370.347 -0.294 20 0 FBADRM CCC(CC)(NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000828820438 600924679 /nfs/dbraw/zinc/92/46/79/600924679.db2.gz JQCHOTIAVKIORT-GHMZBOCLSA-N -1 0 360.432 -0.218 20 0 FBADRM CCC(CC)(NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000828820443 600924421 /nfs/dbraw/zinc/92/44/21/600924421.db2.gz JQCHOTIAVKIORT-MNOVXSKESA-N -1 0 360.432 -0.218 20 0 FBADRM CCC(CC)(NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000828820447 600924675 /nfs/dbraw/zinc/92/46/75/600924675.db2.gz JQCHOTIAVKIORT-QWRGUYRKSA-N -1 0 360.432 -0.218 20 0 FBADRM CCC(CC)(NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000828820451 600924650 /nfs/dbraw/zinc/92/46/50/600924650.db2.gz JQCHOTIAVKIORT-WDEREUQCSA-N -1 0 360.432 -0.218 20 0 FBADRM CCC(CC)(NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC000828820688 600928348 /nfs/dbraw/zinc/92/83/48/600928348.db2.gz PMVWRLJTISEOLV-CYBMUJFWSA-N -1 0 355.435 -0.073 20 0 FBADRM CCC(CC)(NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC000828820689 600928277 /nfs/dbraw/zinc/92/82/77/600928277.db2.gz PMVWRLJTISEOLV-ZDUSSCGKSA-N -1 0 355.435 -0.073 20 0 FBADRM CCC(CC)(NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000828820722 600925493 /nfs/dbraw/zinc/92/54/93/600925493.db2.gz QWQCGCMCAMTMGM-JTQLQIEISA-N -1 0 373.431 -0.089 20 0 FBADRM CCC(CC)(NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)[O-] ZINC000828820724 600925482 /nfs/dbraw/zinc/92/54/82/600925482.db2.gz QWQCGCMCAMTMGM-SNVBAGLBSA-N -1 0 373.431 -0.089 20 0 FBADRM CCC(CC)(NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)C(=O)[O-] ZINC000828829349 600976028 /nfs/dbraw/zinc/97/60/28/600976028.db2.gz PSZLQQLOLIKGMC-UHFFFAOYSA-N -1 0 360.392 -0.849 20 0 FBADRM CCC(CC)(NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000828829477 600927654 /nfs/dbraw/zinc/92/76/54/600927654.db2.gz XQTOMNJTCXYPGA-UHFFFAOYSA-N -1 0 365.390 -0.417 20 0 FBADRM CCC(CC)(NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)[O-] ZINC000828835048 600925410 /nfs/dbraw/zinc/92/54/10/600925410.db2.gz FOJNTXBISWTYEC-UHFFFAOYSA-N -1 0 351.363 -0.807 20 0 FBADRM CCC(CC)(NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000828835135 600927176 /nfs/dbraw/zinc/92/71/76/600927176.db2.gz LDQDFXSFKUYICK-UHFFFAOYSA-N -1 0 351.363 -0.807 20 0 FBADRM CO[C@H](C)c1noc(CN(C)C(=O)CN2CCN(C(=O)[O-])CC2=O)n1 ZINC000828837125 603679346 /nfs/dbraw/zinc/67/93/46/603679346.db2.gz VDFMQJNBXFSQPF-SECBINFHSA-N -1 0 355.351 -0.442 20 0 FBADRM CO[C@@H](C)c1noc(CN(C)C(=O)CN2CCN(C(=O)[O-])CC2=O)n1 ZINC000828837126 603679080 /nfs/dbraw/zinc/67/90/80/603679080.db2.gz VDFMQJNBXFSQPF-VIFPVBQESA-N -1 0 355.351 -0.442 20 0 FBADRM CCC(CC)(NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000828838504 600929125 /nfs/dbraw/zinc/92/91/25/600929125.db2.gz KRSNQPAEPBMDFU-UHFFFAOYSA-N -1 0 350.375 -0.051 20 0 FBADRM CCC(CC)(NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)C(=O)[O-] ZINC000828841959 600976012 /nfs/dbraw/zinc/97/60/12/600976012.db2.gz ICHYPOMNIMOEEW-UHFFFAOYSA-N -1 0 361.376 -0.584 20 0 FBADRM COC1(C(=O)N2CCN(C(C)(C)C(N)=O)CC2)CCN(C(=O)[O-])CC1 ZINC000828848824 603685073 /nfs/dbraw/zinc/68/50/73/603685073.db2.gz DETACNBMQMDBQS-UHFFFAOYSA-N -1 0 356.423 -0.447 20 0 FBADRM COC1(C(=O)N(C)CCN2CCCS2(=O)=O)CCN(C(=O)[O-])CC1 ZINC000828849018 603804574 /nfs/dbraw/zinc/80/45/74/603804574.db2.gz HYURTKKYDLLRSR-UHFFFAOYSA-N -1 0 363.436 -0.361 20 0 FBADRM COC1(C(=O)N2CCN(c3nc(N)ns3)CC2)CCN(C(=O)[O-])CC1 ZINC000828849030 604080406 /nfs/dbraw/zinc/08/04/06/604080406.db2.gz IFUGWARGLZLKBD-UHFFFAOYSA-N -1 0 370.435 -0.072 20 0 FBADRM COC1(C(=O)N2CCN(CCC(=O)N(C)C)CC2)CCN(C(=O)[O-])CC1 ZINC000828849256 604764544 /nfs/dbraw/zinc/76/45/44/604764544.db2.gz KVTMMTHALOHGBP-UHFFFAOYSA-N -1 0 370.450 -0.232 20 0 FBADRM COC1(C(=O)N2CCN(CCn3cncn3)CC2)CCN(C(=O)[O-])CC1 ZINC000828849291 603450423 /nfs/dbraw/zinc/45/04/23/603450423.db2.gz LOVFJNYGDDBCPZ-UHFFFAOYSA-N -1 0 366.422 -0.419 20 0 FBADRM COC1(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CCN(C(=O)[O-])CC1 ZINC000828849362 603997663 /nfs/dbraw/zinc/99/76/63/603997663.db2.gz MPWYYOMPKSVDAQ-UHFFFAOYSA-N -1 0 365.390 -0.246 20 0 FBADRM COC1(C(=O)N2CCN(CC[S@](C)=O)CC2)CCN(C(=O)[O-])CC1 ZINC000828849410 604050599 /nfs/dbraw/zinc/05/05/99/604050599.db2.gz NSDTUYXZVFLGPU-DEOSSOPVSA-N -1 0 361.464 -0.332 20 0 FBADRM COC1(C(=O)N2CCN(CC[S@@](C)=O)CC2)CCN(C(=O)[O-])CC1 ZINC000828849411 604050913 /nfs/dbraw/zinc/05/09/13/604050913.db2.gz NSDTUYXZVFLGPU-XMMPIXPASA-N -1 0 361.464 -0.332 20 0 FBADRM COC1(C(=O)N2CCC(C(=O)NCCO)CC2)CCN(C(=O)[O-])CC1 ZINC000828849477 605435267 /nfs/dbraw/zinc/43/52/67/605435267.db2.gz OZCPOBIOHYFKTG-UHFFFAOYSA-N -1 0 357.407 -0.508 20 0 FBADRM COC1(C(=O)N(C)C[C@@H](O)CN2CCOCC2)CCN(C(=O)[O-])CC1 ZINC000828849619 603561487 /nfs/dbraw/zinc/56/14/87/603561487.db2.gz TYHUIHYKCDUDCC-CYBMUJFWSA-N -1 0 359.423 -0.703 20 0 FBADRM COC1(C(=O)N(C)C[C@H](O)CN2CCOCC2)CCN(C(=O)[O-])CC1 ZINC000828849620 603561683 /nfs/dbraw/zinc/56/16/83/603561683.db2.gz TYHUIHYKCDUDCC-ZDUSSCGKSA-N -1 0 359.423 -0.703 20 0 FBADRM COC1(C(=O)N2CCC(C(=O)NCCCO)CC2)CCN(C(=O)[O-])CC1 ZINC000828849779 605831314 /nfs/dbraw/zinc/83/13/14/605831314.db2.gz WJRQNIJMXQAUTL-UHFFFAOYSA-N -1 0 371.434 -0.117 20 0 FBADRM COC1(C(=O)N2CCc3nn(C)c(=O)cc3C2)CCN(C(=O)[O-])CC1 ZINC000828849953 603639838 /nfs/dbraw/zinc/63/98/38/603639838.db2.gz YYIIOVGTEAJQDW-UHFFFAOYSA-N -1 0 350.375 -0.176 20 0 FBADRM CCC(CC)(NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000828854414 600791734 /nfs/dbraw/zinc/79/17/34/600791734.db2.gz CPFYMSPEQBOQRP-UHFFFAOYSA-N -1 0 370.387 -0.044 20 0 FBADRM COC1(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)CCN(C(=O)[O-])CC1 ZINC000828856854 603641050 /nfs/dbraw/zinc/64/10/50/603641050.db2.gz VQBUGCAEODMEPC-HWPZZCPQSA-N -1 0 368.390 -0.360 20 0 FBADRM COC1(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)CCN(C(=O)[O-])CC1 ZINC000828856855 603641562 /nfs/dbraw/zinc/64/15/62/603641562.db2.gz VQBUGCAEODMEPC-MGPLVRAMSA-N -1 0 368.390 -0.360 20 0 FBADRM COC1(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)CCN(C(=O)[O-])CC1 ZINC000828856856 603641251 /nfs/dbraw/zinc/64/12/51/603641251.db2.gz VQBUGCAEODMEPC-QFYYESIMSA-N -1 0 368.390 -0.360 20 0 FBADRM COC1(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)CCN(C(=O)[O-])CC1 ZINC000828856858 603641461 /nfs/dbraw/zinc/64/14/61/603641461.db2.gz VQBUGCAEODMEPC-QLJPJBMISA-N -1 0 368.390 -0.360 20 0 FBADRM COC1(C(=O)OCCN2CCCS2(=O)=O)CCN(C(=O)[O-])CC1 ZINC000828865483 605544829 /nfs/dbraw/zinc/54/48/29/605544829.db2.gz PEPJQTDAIUBMAJ-UHFFFAOYSA-N -1 0 350.393 -0.276 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC000828866732 600697480 /nfs/dbraw/zinc/69/74/80/600697480.db2.gz LPOKZCDIGJBDFC-UHFFFAOYSA-N -1 0 362.429 -0.208 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC000828876771 601253880 /nfs/dbraw/zinc/25/38/80/601253880.db2.gz LIFPABLZLXMNGW-UHFFFAOYSA-N -1 0 365.433 -0.201 20 0 FBADRM CC[C@H](CCO)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000828880263 601364319 /nfs/dbraw/zinc/36/43/19/601364319.db2.gz SMMUPQCCCQTPDD-LLVKDONJSA-N -1 0 351.359 -0.283 20 0 FBADRM CC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000828880266 601364486 /nfs/dbraw/zinc/36/44/86/601364486.db2.gz SMMUPQCCCQTPDD-NSHDSACASA-N -1 0 351.359 -0.283 20 0 FBADRM COC1CN(C(=O)C[C@@]2(C(=O)N3CC(OC)C3)CCN(C(=O)[O-])C2)C1 ZINC000828880745 603788438 /nfs/dbraw/zinc/78/84/38/603788438.db2.gz OEPAUSLHEBZWFN-INIZCTEOSA-N -1 0 355.391 -0.539 20 0 FBADRM COC1CN(C(=O)C[C@]2(C(=O)N3CC(OC)C3)CCN(C(=O)[O-])C2)C1 ZINC000828880750 603788680 /nfs/dbraw/zinc/78/86/80/603788680.db2.gz OEPAUSLHEBZWFN-MRXNPFEDSA-N -1 0 355.391 -0.539 20 0 FBADRM COCC(=O)NC1CCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000828880953 605265797 /nfs/dbraw/zinc/26/57/97/605265797.db2.gz QNQNRXCSSYLRBG-CYBMUJFWSA-N -1 0 357.407 -0.101 20 0 FBADRM COCC(=O)NC1CCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000828880956 605265938 /nfs/dbraw/zinc/26/59/38/605265938.db2.gz QNQNRXCSSYLRBG-ZDUSSCGKSA-N -1 0 357.407 -0.101 20 0 FBADRM COCC(=O)N1CCN(C(=O)NC[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000828881080 604888777 /nfs/dbraw/zinc/88/87/77/604888777.db2.gz RWRUAGJDLKIRGQ-NEPJUHHUSA-N -1 0 372.422 -0.010 20 0 FBADRM COCC(=O)N1CCN(C(=O)NC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000828881081 604888888 /nfs/dbraw/zinc/88/88/88/604888888.db2.gz RWRUAGJDLKIRGQ-NWDGAFQWSA-N -1 0 372.422 -0.010 20 0 FBADRM COCC(=O)N1CCN(C(=O)NC[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000828881082 604889080 /nfs/dbraw/zinc/88/90/80/604889080.db2.gz RWRUAGJDLKIRGQ-RYUDHWBXSA-N -1 0 372.422 -0.010 20 0 FBADRM COCC(=O)N1CCN(C(=O)NC[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000828881083 604888860 /nfs/dbraw/zinc/88/88/60/604888860.db2.gz RWRUAGJDLKIRGQ-VXGBXAGGSA-N -1 0 372.422 -0.010 20 0 FBADRM COC[C@@](C)(O)C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828885304 604150915 /nfs/dbraw/zinc/15/09/15/604150915.db2.gz BPEIYERSWZXYMY-BLLLJJGKSA-N -1 0 357.407 -0.555 20 0 FBADRM COC[C@](C)(O)C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828885305 604151253 /nfs/dbraw/zinc/15/12/53/604151253.db2.gz BPEIYERSWZXYMY-LRDDRELGSA-N -1 0 357.407 -0.555 20 0 FBADRM COC[C@@](C)(O)C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828885306 604151234 /nfs/dbraw/zinc/15/12/34/604151234.db2.gz BPEIYERSWZXYMY-MLGOLLRUSA-N -1 0 357.407 -0.555 20 0 FBADRM COC[C@](C)(O)C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828885307 604151018 /nfs/dbraw/zinc/15/10/18/604151018.db2.gz BPEIYERSWZXYMY-WBMJQRKESA-N -1 0 357.407 -0.555 20 0 FBADRM COC[C@](C)(NC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1)C(=O)OC ZINC000828885321 603725073 /nfs/dbraw/zinc/72/50/73/603725073.db2.gz BWFAZJMQACAHJW-HNNXBMFYSA-N -1 0 369.378 -0.099 20 0 FBADRM COC[C@@](C)(NC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1)C(=O)OC ZINC000828885322 603724980 /nfs/dbraw/zinc/72/49/80/603724980.db2.gz BWFAZJMQACAHJW-OAHLLOKOSA-N -1 0 369.378 -0.099 20 0 FBADRM COCC(=O)NC1CCN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)CC1 ZINC000828885522 603586022 /nfs/dbraw/zinc/58/60/22/603586022.db2.gz HBTGVRGPHQAVGB-UHFFFAOYSA-N -1 0 354.407 -0.617 20 0 FBADRM COCC(=O)NC1CCN(CN2C[C@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000828885825 603597876 /nfs/dbraw/zinc/59/78/76/603597876.db2.gz OVCBLZNTQVHBLZ-CYBMUJFWSA-N -1 0 369.422 -0.729 20 0 FBADRM COCC(=O)NC1CCN(CN2C[C@@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000828885826 603597681 /nfs/dbraw/zinc/59/76/81/603597681.db2.gz OVCBLZNTQVHBLZ-ZDUSSCGKSA-N -1 0 369.422 -0.729 20 0 FBADRM COC[C@H](C)C(=O)NC[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H](C)COC ZINC000828896040 605767605 /nfs/dbraw/zinc/76/76/05/605767605.db2.gz GASCTEMLPOXKSL-AVGNSLFASA-N -1 0 359.423 -0.142 20 0 FBADRM COC[C@H](C)C(=O)NC[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H](C)COC ZINC000828896042 605767098 /nfs/dbraw/zinc/76/70/98/605767098.db2.gz GASCTEMLPOXKSL-RWMBFGLXSA-N -1 0 359.423 -0.142 20 0 FBADRM COC[C@@H](C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1CNC(=O)[C@@H](C)COC ZINC000828896044 605767616 /nfs/dbraw/zinc/76/76/16/605767616.db2.gz GASCTEMLPOXKSL-XQQFMLRXSA-N -1 0 359.423 -0.142 20 0 FBADRM COC[C@@H](C)C(=O)N1CCN(C(=O)[O-])C[C@H]1CNC(=O)[C@@H](C)COC ZINC000828896046 605767609 /nfs/dbraw/zinc/76/76/09/605767609.db2.gz GASCTEMLPOXKSL-YNEHKIRRSA-N -1 0 359.423 -0.142 20 0 FBADRM COC[C@H](C)CC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828896244 604229197 /nfs/dbraw/zinc/22/91/97/604229197.db2.gz HPYKVEVPCIUEFM-LLVKDONJSA-N -1 0 363.436 -0.505 20 0 FBADRM COC[C@@H](C)CC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828896249 604228834 /nfs/dbraw/zinc/22/88/34/604228834.db2.gz HPYKVEVPCIUEFM-NSHDSACASA-N -1 0 363.436 -0.505 20 0 FBADRM COC[C@@H](C)NC(=O)NC(=O)COC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828902078 605230735 /nfs/dbraw/zinc/23/07/35/605230735.db2.gz AVHWEDKASBOQJI-NXEZZACHSA-N -1 0 361.351 -0.841 20 0 FBADRM COC[C@H](C)NC(=O)NC(=O)COC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828902079 605230859 /nfs/dbraw/zinc/23/08/59/605230859.db2.gz AVHWEDKASBOQJI-UWVGGRQHSA-N -1 0 361.351 -0.841 20 0 FBADRM COC[C@H](C)NC(=O)NC(=O)COC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828902080 605231367 /nfs/dbraw/zinc/23/13/67/605231367.db2.gz AVHWEDKASBOQJI-VHSXEESVSA-N -1 0 361.351 -0.841 20 0 FBADRM COC[C@@H](C)NC(=O)NC(=O)COC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828902081 605231374 /nfs/dbraw/zinc/23/13/74/605231374.db2.gz AVHWEDKASBOQJI-ZJUUUORDSA-N -1 0 361.351 -0.841 20 0 FBADRM COC[C@H](C)NC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828902531 604829070 /nfs/dbraw/zinc/82/90/70/604829070.db2.gz GLFFRCXXQVDVQO-JTQLQIEISA-N -1 0 364.424 -0.960 20 0 FBADRM COC[C@@H](C)NC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828902542 604829431 /nfs/dbraw/zinc/82/94/31/604829431.db2.gz GLFFRCXXQVDVQO-SNVBAGLBSA-N -1 0 364.424 -0.960 20 0 FBADRM COC[C@@]1(C)CC(=O)N(CN(C)CC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828920073 603520256 /nfs/dbraw/zinc/52/02/56/603520256.db2.gz DAJABXBMDWXQLQ-INIZCTEOSA-N -1 0 356.423 -0.417 20 0 FBADRM COC[C@]1(C)CC(=O)N(CN(C)CC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828920074 603519746 /nfs/dbraw/zinc/51/97/46/603519746.db2.gz DAJABXBMDWXQLQ-MRXNPFEDSA-N -1 0 356.423 -0.417 20 0 FBADRM COCCC(=O)N1CCC(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828930143 605430521 /nfs/dbraw/zinc/43/05/21/605430521.db2.gz PIMJUOGRLQQRTM-CYBMUJFWSA-N -1 0 357.407 -0.101 20 0 FBADRM COCCC(=O)N1CCC(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828930145 605430300 /nfs/dbraw/zinc/43/03/00/605430300.db2.gz PIMJUOGRLQQRTM-ZDUSSCGKSA-N -1 0 357.407 -0.101 20 0 FBADRM CC[C@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)[O-] ZINC000828943838 601677839 /nfs/dbraw/zinc/67/78/39/601677839.db2.gz SXXGCTZEXBZZDV-LURJTMIESA-N -1 0 372.179 -0.128 20 0 FBADRM CC[C@H](NC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)C(=O)[O-] ZINC000828944165 601750310 /nfs/dbraw/zinc/75/03/10/601750310.db2.gz YZZMJWKPUHWHHY-QMMMGPOBSA-N -1 0 357.344 -0.779 20 0 FBADRM COCCCN(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000828944506 604749497 /nfs/dbraw/zinc/74/94/97/604749497.db2.gz BCVLWDZYIQHLPY-NEPJUHHUSA-N -1 0 364.420 -0.583 20 0 FBADRM COCCCN(C(=O)[C@H]1CN(C(=O)[O-])CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000828944507 604749746 /nfs/dbraw/zinc/74/97/46/604749746.db2.gz BCVLWDZYIQHLPY-NWDGAFQWSA-N -1 0 364.420 -0.583 20 0 FBADRM COCCCN(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000828944508 604749523 /nfs/dbraw/zinc/74/95/23/604749523.db2.gz BCVLWDZYIQHLPY-RYUDHWBXSA-N -1 0 364.420 -0.583 20 0 FBADRM COCCCN(C(=O)[C@H]1CN(C(=O)[O-])CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000828944509 604749417 /nfs/dbraw/zinc/74/94/17/604749417.db2.gz BCVLWDZYIQHLPY-VXGBXAGGSA-N -1 0 364.420 -0.583 20 0 FBADRM COCCCN(C(=O)COC1CN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000828944948 603985842 /nfs/dbraw/zinc/98/58/42/603985842.db2.gz KYKVBWDUVTXSDV-LLVKDONJSA-N -1 0 364.420 -0.583 20 0 FBADRM COCCCN(C(=O)COC1CN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000828944950 603985726 /nfs/dbraw/zinc/98/57/26/603985726.db2.gz KYKVBWDUVTXSDV-NSHDSACASA-N -1 0 364.420 -0.583 20 0 FBADRM COCCCCC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828945214 603737274 /nfs/dbraw/zinc/73/72/74/603737274.db2.gz OEUSIAKEUKDGDI-UHFFFAOYSA-N -1 0 363.436 -0.361 20 0 FBADRM COCCCNC(=O)C1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000828949878 603768989 /nfs/dbraw/zinc/76/89/89/603768989.db2.gz AIYCJKNSAYJOJL-UHFFFAOYSA-N -1 0 357.407 -0.244 20 0 FBADRM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000828950072 604604623 /nfs/dbraw/zinc/60/46/23/604604623.db2.gz CRXTVHYBMDOBOW-GFCCVEGCSA-N -1 0 371.438 -0.783 20 0 FBADRM COCCCNC(=O)[C@H](C)N1CCN(C(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000828950074 604604302 /nfs/dbraw/zinc/60/43/02/604604302.db2.gz CRXTVHYBMDOBOW-LBPRGKRZSA-N -1 0 371.438 -0.783 20 0 FBADRM COCCCNC(=O)C1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828950165 604736782 /nfs/dbraw/zinc/73/67/82/604736782.db2.gz FFAPECQTUQRQIB-CYBMUJFWSA-N -1 0 357.407 -0.244 20 0 FBADRM COCCCNC(=O)C1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828950167 604736677 /nfs/dbraw/zinc/73/66/77/604736677.db2.gz FFAPECQTUQRQIB-ZDUSSCGKSA-N -1 0 357.407 -0.244 20 0 FBADRM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000828950542 604460214 /nfs/dbraw/zinc/46/02/14/604460214.db2.gz LTDOGGXWVUFXHX-GFCCVEGCSA-N -1 0 356.423 -0.528 20 0 FBADRM COCCCNC(=O)[C@H](C)N1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000828950543 604460205 /nfs/dbraw/zinc/46/02/05/604460205.db2.gz LTDOGGXWVUFXHX-LBPRGKRZSA-N -1 0 356.423 -0.528 20 0 FBADRM COCCCNC(=O)CN(C)CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O ZINC000828950706 603601420 /nfs/dbraw/zinc/60/14/20/603601420.db2.gz QBZXTGPOJFGVCL-GFCCVEGCSA-N -1 0 357.411 -0.872 20 0 FBADRM COCCCNC(=O)CN(C)CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O ZINC000828950707 603601392 /nfs/dbraw/zinc/60/13/92/603601392.db2.gz QBZXTGPOJFGVCL-LBPRGKRZSA-N -1 0 357.411 -0.872 20 0 FBADRM COCCCNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828950714 604829251 /nfs/dbraw/zinc/82/92/51/604829251.db2.gz QFLKKIAUYWMBFP-UHFFFAOYSA-N -1 0 364.424 -0.958 20 0 FBADRM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000828950923 603750469 /nfs/dbraw/zinc/75/04/69/603750469.db2.gz XBDBNJWNDOZMIB-CYBMUJFWSA-N -1 0 370.450 -0.328 20 0 FBADRM COCCCNC(=O)[C@H](C)N1CCN(C(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000828950924 603750242 /nfs/dbraw/zinc/75/02/42/603750242.db2.gz XBDBNJWNDOZMIB-ZDUSSCGKSA-N -1 0 370.450 -0.328 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000828956830 661130445 /nfs/dbraw/zinc/13/04/45/661130445.db2.gz AEUYSBHYZXQUDF-LLVKDONJSA-N -1 0 351.425 -0.552 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828956832 661130781 /nfs/dbraw/zinc/13/07/81/661130781.db2.gz AEUYSBHYZXQUDF-NSHDSACASA-N -1 0 351.425 -0.552 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000828956868 605289047 /nfs/dbraw/zinc/28/90/47/605289047.db2.gz BELBLBNQWAAVCT-YOGCLGLASA-N -1 0 363.436 -0.268 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000828956874 605296910 /nfs/dbraw/zinc/29/69/10/605296910.db2.gz BHIDVEIDZPQBMA-UHFFFAOYSA-N -1 0 363.436 -0.503 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCCC[C@@H]1CNC(=O)[O-] ZINC000828956888 605214374 /nfs/dbraw/zinc/21/43/74/605214374.db2.gz BJGSAYYBOWDKNN-LLVKDONJSA-N -1 0 351.425 -0.409 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCCC[C@H]1CNC(=O)[O-] ZINC000828956889 605214411 /nfs/dbraw/zinc/21/44/11/605214411.db2.gz BJGSAYYBOWDKNN-NSHDSACASA-N -1 0 351.425 -0.409 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N[C@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000828956890 661130741 /nfs/dbraw/zinc/13/07/41/661130741.db2.gz BKEBOIHTASCMNS-NEPJUHHUSA-N -1 0 365.452 -0.163 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828956891 661130663 /nfs/dbraw/zinc/13/06/63/661130663.db2.gz BKEBOIHTASCMNS-NWDGAFQWSA-N -1 0 365.452 -0.163 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000828956892 661130728 /nfs/dbraw/zinc/13/07/28/661130728.db2.gz BKEBOIHTASCMNS-RYUDHWBXSA-N -1 0 365.452 -0.163 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828956893 661130769 /nfs/dbraw/zinc/13/07/69/661130769.db2.gz BKEBOIHTASCMNS-VXGBXAGGSA-N -1 0 365.452 -0.163 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)[C@H](NC(=O)[O-])C(C)C)CC1 ZINC000828956894 605297008 /nfs/dbraw/zinc/29/70/08/605297008.db2.gz BKNLYDFVENVHQV-GFCCVEGCSA-N -1 0 365.452 -0.211 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000828956895 605296912 /nfs/dbraw/zinc/29/69/12/605296912.db2.gz BKNLYDFVENVHQV-LBPRGKRZSA-N -1 0 365.452 -0.211 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)C[C@@H](C)NC(=O)[O-])CC1 ZINC000828956952 605224574 /nfs/dbraw/zinc/22/45/74/605224574.db2.gz CIVQDYRFFQOZRB-LLVKDONJSA-N -1 0 351.425 -0.457 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)C[C@H](C)NC(=O)[O-])CC1 ZINC000828956955 605224523 /nfs/dbraw/zinc/22/45/23/605224523.db2.gz CIVQDYRFFQOZRB-NSHDSACASA-N -1 0 351.425 -0.457 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)NCCN(C)C(=O)[O-])CC1 ZINC000828957069 605229711 /nfs/dbraw/zinc/22/97/11/605229711.db2.gz FHQCJGVUJROLPR-UHFFFAOYSA-N -1 0 366.440 -0.710 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000828957101 605216064 /nfs/dbraw/zinc/21/60/64/605216064.db2.gz GCSKYFSFSDTZMK-UHFFFAOYSA-N -1 0 351.425 -0.363 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000828957129 605727849 /nfs/dbraw/zinc/72/78/49/605727849.db2.gz GYTGWHWAYFZKOZ-GHMZBOCLSA-N -1 0 351.425 -0.411 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000828957130 605727709 /nfs/dbraw/zinc/72/77/09/605727709.db2.gz GYTGWHWAYFZKOZ-MNOVXSKESA-N -1 0 351.425 -0.411 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C ZINC000828957131 605727559 /nfs/dbraw/zinc/72/75/59/605727559.db2.gz GYTGWHWAYFZKOZ-QWRGUYRKSA-N -1 0 351.425 -0.411 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C ZINC000828957132 605728686 /nfs/dbraw/zinc/72/86/86/605728686.db2.gz GYTGWHWAYFZKOZ-WDEREUQCSA-N -1 0 351.425 -0.411 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)NC[C@H]1CCCCN1C(=O)[O-] ZINC000828957142 605197211 /nfs/dbraw/zinc/19/72/11/605197211.db2.gz HJSJGSJCNGNSRE-LLVKDONJSA-N -1 0 351.425 -0.409 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)NC[C@@H]1CCCCN1C(=O)[O-] ZINC000828957143 605197064 /nfs/dbraw/zinc/19/70/64/605197064.db2.gz HJSJGSJCNGNSRE-NSHDSACASA-N -1 0 351.425 -0.409 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000828957214 605197874 /nfs/dbraw/zinc/19/78/74/605197874.db2.gz HLWUQRLNRJZJHA-NEPJUHHUSA-N -1 0 363.436 -0.314 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)CC(C)(C)NC(=O)[O-])CC1 ZINC000828957215 605224173 /nfs/dbraw/zinc/22/41/73/605224173.db2.gz HMLNIBLQUPEDQY-UHFFFAOYSA-N -1 0 365.452 -0.067 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000828957229 605214329 /nfs/dbraw/zinc/21/43/29/605214329.db2.gz HZAQABFDBZYQEE-UHFFFAOYSA-N -1 0 365.452 -0.209 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828957234 605394290 /nfs/dbraw/zinc/39/42/90/605394290.db2.gz ICLCHKNRULEINL-NEPJUHHUSA-N -1 0 365.452 -0.163 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000828957235 605394045 /nfs/dbraw/zinc/39/40/45/605394045.db2.gz ICLCHKNRULEINL-NWDGAFQWSA-N -1 0 365.452 -0.163 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000828957236 605394027 /nfs/dbraw/zinc/39/40/27/605394027.db2.gz ICLCHKNRULEINL-RYUDHWBXSA-N -1 0 365.452 -0.163 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828957237 605394142 /nfs/dbraw/zinc/39/41/42/605394142.db2.gz ICLCHKNRULEINL-VXGBXAGGSA-N -1 0 365.452 -0.163 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N(C)C1CCN(C(=O)[O-])CC1 ZINC000828957240 605264453 /nfs/dbraw/zinc/26/44/53/605264453.db2.gz ICWRKMDVUFXGOK-UHFFFAOYSA-N -1 0 351.425 -0.457 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000828957241 605212352 /nfs/dbraw/zinc/21/23/52/605212352.db2.gz IDKCCQDSOIAFEH-LLVKDONJSA-N -1 0 351.425 -0.457 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000828957242 605212018 /nfs/dbraw/zinc/21/20/18/605212018.db2.gz IDKCCQDSOIAFEH-NSHDSACASA-N -1 0 351.425 -0.457 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000828957260 661130758 /nfs/dbraw/zinc/13/07/58/661130758.db2.gz IKGXBUOQLNZREP-LLVKDONJSA-N -1 0 351.425 -0.599 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000828957261 661130649 /nfs/dbraw/zinc/13/06/49/661130649.db2.gz IKGXBUOQLNZREP-NSHDSACASA-N -1 0 351.425 -0.599 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC(CNC(=O)[O-])CC1 ZINC000828957308 661130629 /nfs/dbraw/zinc/13/06/29/661130629.db2.gz KCZITBSXOUOKQO-UHFFFAOYSA-N -1 0 351.425 -0.552 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000828957330 605229769 /nfs/dbraw/zinc/22/97/69/605229769.db2.gz KZKAXQJHRRQXMU-UHFFFAOYSA-N -1 0 364.424 -0.958 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000828957331 605206652 /nfs/dbraw/zinc/20/66/52/605206652.db2.gz LATTURZYUJKQBG-NEPJUHHUSA-N -1 0 365.452 -0.021 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000828957332 605206791 /nfs/dbraw/zinc/20/67/91/605206791.db2.gz LATTURZYUJKQBG-NWDGAFQWSA-N -1 0 365.452 -0.021 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000828957333 605206430 /nfs/dbraw/zinc/20/64/30/605206430.db2.gz LATTURZYUJKQBG-RYUDHWBXSA-N -1 0 365.452 -0.021 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000828957334 605206410 /nfs/dbraw/zinc/20/64/10/605206410.db2.gz LATTURZYUJKQBG-VXGBXAGGSA-N -1 0 365.452 -0.021 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000828957343 661130725 /nfs/dbraw/zinc/13/07/25/661130725.db2.gz LJFTWBYLKXPWEJ-UHFFFAOYSA-N -1 0 351.425 -0.552 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)NCCCNC(=O)[O-])CC1 ZINC000828957364 605228132 /nfs/dbraw/zinc/22/81/32/605228132.db2.gz MCLLFKCOPBBSMW-UHFFFAOYSA-N -1 0 366.440 -0.662 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)C(C)(C)CNC(=O)[O-])CC1 ZINC000828957376 605224861 /nfs/dbraw/zinc/22/48/61/605224861.db2.gz MRZRZAQYNZAVKN-UHFFFAOYSA-N -1 0 365.452 -0.209 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000828957377 605212265 /nfs/dbraw/zinc/21/22/65/605212265.db2.gz MSILAQPVDTZYDN-GFCCVEGCSA-N -1 0 365.452 -0.209 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000828957378 605212184 /nfs/dbraw/zinc/21/21/84/605212184.db2.gz MSILAQPVDTZYDN-LBPRGKRZSA-N -1 0 365.452 -0.209 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000828957387 605219008 /nfs/dbraw/zinc/21/90/08/605219008.db2.gz NAIXUZIVLYTVNW-UHFFFAOYSA-N -1 0 365.452 -0.021 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)CCCN(C)C(=O)[O-])CC1 ZINC000828957412 605224759 /nfs/dbraw/zinc/22/47/59/605224759.db2.gz NOMNDOSBFSESQI-UHFFFAOYSA-N -1 0 365.452 -0.113 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1 ZINC000828957417 661130658 /nfs/dbraw/zinc/13/06/58/661130658.db2.gz NXKFDHSABKDESX-GHMZBOCLSA-N -1 0 351.425 -0.459 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000828957418 661130801 /nfs/dbraw/zinc/13/08/01/661130801.db2.gz NXKFDHSABKDESX-PHIMTYICSA-N -1 0 351.425 -0.459 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000828957419 661130685 /nfs/dbraw/zinc/13/06/85/661130685.db2.gz NXKFDHSABKDESX-QWRGUYRKSA-N -1 0 351.425 -0.459 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000828957482 605216135 /nfs/dbraw/zinc/21/61/35/605216135.db2.gz QEBTVABJKTZHQG-LLVKDONJSA-N -1 0 351.425 -0.457 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@H]1CN(C)C(=O)[O-] ZINC000828957483 605215851 /nfs/dbraw/zinc/21/58/51/605215851.db2.gz QEBTVABJKTZHQG-NSHDSACASA-N -1 0 351.425 -0.457 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828957485 605781874 /nfs/dbraw/zinc/78/18/74/605781874.db2.gz QGTIQGSHXORFOA-GFCCVEGCSA-N -1 0 363.436 -0.314 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828957486 605781842 /nfs/dbraw/zinc/78/18/42/605781842.db2.gz QGTIQGSHXORFOA-LBPRGKRZSA-N -1 0 363.436 -0.314 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCN(C(=O)[O-])CC1(C)C ZINC000828957504 605219419 /nfs/dbraw/zinc/21/94/19/605219419.db2.gz QSVZJYFAIXDIAL-UHFFFAOYSA-N -1 0 351.425 -0.457 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000828957556 605214615 /nfs/dbraw/zinc/21/46/15/605214615.db2.gz SFTSDVRSOVHQFL-UHFFFAOYSA-N -1 0 351.425 -0.457 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000828957596 605288988 /nfs/dbraw/zinc/28/89/88/605288988.db2.gz UAHKDZCHKAMHOR-GHMZBOCLSA-N -1 0 351.425 -0.553 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000828957597 605289064 /nfs/dbraw/zinc/28/90/64/605289064.db2.gz UAHKDZCHKAMHOR-MNOVXSKESA-N -1 0 351.425 -0.553 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000828957598 605288960 /nfs/dbraw/zinc/28/89/60/605288960.db2.gz UAHKDZCHKAMHOR-QWRGUYRKSA-N -1 0 351.425 -0.553 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000828957599 605289022 /nfs/dbraw/zinc/28/90/22/605289022.db2.gz UAHKDZCHKAMHOR-WDEREUQCSA-N -1 0 351.425 -0.553 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000828957608 605224742 /nfs/dbraw/zinc/22/47/42/605224742.db2.gz UDQFUXQHUOJRHC-GFCCVEGCSA-N -1 0 363.436 -0.503 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000828957609 605224446 /nfs/dbraw/zinc/22/44/46/605224446.db2.gz UDQFUXQHUOJRHC-LBPRGKRZSA-N -1 0 363.436 -0.503 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)CCCNC(=O)[O-])CC1 ZINC000828957634 605224723 /nfs/dbraw/zinc/22/47/23/605224723.db2.gz VFVACSOCUUVSES-UHFFFAOYSA-N -1 0 351.425 -0.455 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)[C@H](C)CN(C)C(=O)[O-])CC1 ZINC000828957653 605224710 /nfs/dbraw/zinc/22/47/10/605224710.db2.gz VUMCJMCGVIPPCP-GFCCVEGCSA-N -1 0 365.452 -0.257 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)[C@@H](C)CN(C)C(=O)[O-])CC1 ZINC000828957654 605224214 /nfs/dbraw/zinc/22/42/14/605224214.db2.gz VUMCJMCGVIPPCP-LBPRGKRZSA-N -1 0 365.452 -0.257 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000828957655 605224673 /nfs/dbraw/zinc/22/46/73/605224673.db2.gz VVHWHCSVMNEDOW-UHFFFAOYSA-N -1 0 351.425 -0.457 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000828957685 605214314 /nfs/dbraw/zinc/21/43/14/605214314.db2.gz WPMYHCJDCCOBPL-LLVKDONJSA-N -1 0 365.452 -0.163 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000828957686 605214579 /nfs/dbraw/zinc/21/45/79/605214579.db2.gz WPMYHCJDCCOBPL-NSHDSACASA-N -1 0 365.452 -0.163 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000828957701 605208337 /nfs/dbraw/zinc/20/83/37/605208337.db2.gz WYPJUJKQFOJJFX-LLVKDONJSA-N -1 0 351.425 -0.552 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000828957702 605208414 /nfs/dbraw/zinc/20/84/14/605208414.db2.gz WYPJUJKQFOJJFX-NSHDSACASA-N -1 0 351.425 -0.552 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)[O-])CC1 ZINC000828957723 605297126 /nfs/dbraw/zinc/29/71/26/605297126.db2.gz XJJGDSLWRNUFIE-GFCCVEGCSA-N -1 0 363.436 -0.361 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000828957724 605297404 /nfs/dbraw/zinc/29/74/04/605297404.db2.gz XJJGDSLWRNUFIE-LBPRGKRZSA-N -1 0 363.436 -0.361 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)[O-] ZINC000828957727 605218769 /nfs/dbraw/zinc/21/87/69/605218769.db2.gz XLJQFXDEDKBNSW-NEPJUHHUSA-N -1 0 365.452 -0.163 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CNC(=O)[O-] ZINC000828957728 605218861 /nfs/dbraw/zinc/21/88/61/605218861.db2.gz XLJQFXDEDKBNSW-NWDGAFQWSA-N -1 0 365.452 -0.163 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)[O-] ZINC000828957729 605219241 /nfs/dbraw/zinc/21/92/41/605219241.db2.gz XLJQFXDEDKBNSW-RYUDHWBXSA-N -1 0 365.452 -0.163 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)[O-] ZINC000828957730 605219231 /nfs/dbraw/zinc/21/92/31/605219231.db2.gz XLJQFXDEDKBNSW-VXGBXAGGSA-N -1 0 365.452 -0.163 20 0 FBADRM COCCCn1ccc(NC(=O)C(=O)N2CC[C@H](CNC(=O)[O-])C2)n1 ZINC000828963826 604143273 /nfs/dbraw/zinc/14/32/73/604143273.db2.gz DRFUOXOMFQSWAG-LLVKDONJSA-N -1 0 353.379 -0.026 20 0 FBADRM COCCCn1ccc(NC(=O)C(=O)N2CC[C@@H](CNC(=O)[O-])C2)n1 ZINC000828963827 604143346 /nfs/dbraw/zinc/14/33/46/604143346.db2.gz DRFUOXOMFQSWAG-NSHDSACASA-N -1 0 353.379 -0.026 20 0 FBADRM COCCN(C(C)=O)c1nc(Cn2nnnc2CNC(=O)[O-])cs1 ZINC000828963889 605175723 /nfs/dbraw/zinc/17/57/23/605175723.db2.gz GUQOGOBKJSSXAJ-UHFFFAOYSA-N -1 0 355.380 -0.055 20 0 FBADRM COCCN(C(=O)[C@]1(F)CCN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000828964048 604001557 /nfs/dbraw/zinc/00/15/57/604001557.db2.gz JQADVZPNXGCUGZ-GWCFXTLKSA-N -1 0 352.384 -0.260 20 0 FBADRM COCCN(C(=O)[C@@]1(F)CCN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000828964049 604001921 /nfs/dbraw/zinc/00/19/21/604001921.db2.gz JQADVZPNXGCUGZ-GXFFZTMASA-N -1 0 352.384 -0.260 20 0 FBADRM COCCN(C(=O)[C@]1(F)CCN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000828964050 604001354 /nfs/dbraw/zinc/00/13/54/604001354.db2.gz JQADVZPNXGCUGZ-MFKMUULPSA-N -1 0 352.384 -0.260 20 0 FBADRM COCCN(C(=O)[C@@]1(F)CCN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000828964051 604001715 /nfs/dbraw/zinc/00/17/15/604001715.db2.gz JQADVZPNXGCUGZ-ZWNOBZJWSA-N -1 0 352.384 -0.260 20 0 FBADRM COCCN(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000828964241 604837439 /nfs/dbraw/zinc/83/74/39/604837439.db2.gz QBJWPIVBNBLBFS-NEPJUHHUSA-N -1 0 364.420 -0.583 20 0 FBADRM COCCN(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000828964242 604837114 /nfs/dbraw/zinc/83/71/14/604837114.db2.gz QBJWPIVBNBLBFS-NWDGAFQWSA-N -1 0 364.420 -0.583 20 0 FBADRM COCCN(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000828964243 604837460 /nfs/dbraw/zinc/83/74/60/604837460.db2.gz QBJWPIVBNBLBFS-RYUDHWBXSA-N -1 0 364.420 -0.583 20 0 FBADRM COCCN(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000828964244 604837125 /nfs/dbraw/zinc/83/71/25/604837125.db2.gz QBJWPIVBNBLBFS-VXGBXAGGSA-N -1 0 364.420 -0.583 20 0 FBADRM COCCN(C(=O)[C@H]1CN(C(=O)[O-])CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000828964293 604837563 /nfs/dbraw/zinc/83/75/63/604837563.db2.gz RKKUSPMPLYMVJW-GHMZBOCLSA-N -1 0 350.393 -0.973 20 0 FBADRM COCCN(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000828964294 604837557 /nfs/dbraw/zinc/83/75/57/604837557.db2.gz RKKUSPMPLYMVJW-MNOVXSKESA-N -1 0 350.393 -0.973 20 0 FBADRM COCCN(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000828964295 604837505 /nfs/dbraw/zinc/83/75/05/604837505.db2.gz RKKUSPMPLYMVJW-QWRGUYRKSA-N -1 0 350.393 -0.973 20 0 FBADRM COCCN(C(=O)[C@H]1CN(C(=O)[O-])CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000828964296 604837263 /nfs/dbraw/zinc/83/72/63/604837263.db2.gz RKKUSPMPLYMVJW-WDEREUQCSA-N -1 0 350.393 -0.973 20 0 FBADRM COCCN(C)S(=O)(=O)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000828964461 604165207 /nfs/dbraw/zinc/16/52/07/604165207.db2.gz VSSGIRQWTCONIP-UHFFFAOYSA-N -1 0 353.441 -0.052 20 0 FBADRM COCCN(C(=O)COC1CN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000828964597 603766359 /nfs/dbraw/zinc/76/63/59/603766359.db2.gz ZVKMYXNZLFBBEF-JTQLQIEISA-N -1 0 350.393 -0.973 20 0 FBADRM COCCN(C(=O)COC1CN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000828964598 603766804 /nfs/dbraw/zinc/76/68/04/603766804.db2.gz ZVKMYXNZLFBBEF-SNVBAGLBSA-N -1 0 350.393 -0.973 20 0 FBADRM COCCN(CC(=O)N1CCO[C@H](CN(C)c2cccnn2)C1)C(=O)[O-] ZINC000828970734 605686025 /nfs/dbraw/zinc/68/60/25/605686025.db2.gz DZXVXYXPBCSRTC-CYBMUJFWSA-N -1 0 367.406 -0.233 20 0 FBADRM COCCN(CC(=O)N1CCO[C@@H](CN(C)c2cccnn2)C1)C(=O)[O-] ZINC000828970735 605685987 /nfs/dbraw/zinc/68/59/87/605685987.db2.gz DZXVXYXPBCSRTC-ZDUSSCGKSA-N -1 0 367.406 -0.233 20 0 FBADRM COCCN(CC(=O)N1CCN(c2nccn(C)c2=O)CC1)C(=O)[O-] ZINC000828970899 603725460 /nfs/dbraw/zinc/72/54/60/603725460.db2.gz ITUSOJORCCVQTP-UHFFFAOYSA-N -1 0 353.379 -0.945 20 0 FBADRM COCCN(CC(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000828970921 604258223 /nfs/dbraw/zinc/25/82/23/604258223.db2.gz JHNKHCPIQCPROS-AWEZNQCLSA-N -1 0 370.450 -0.232 20 0 FBADRM COCCN(CC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000828970922 604258342 /nfs/dbraw/zinc/25/83/42/604258342.db2.gz JHNKHCPIQCPROS-CQSZACIVSA-N -1 0 370.450 -0.232 20 0 FBADRM COCCN(CC(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1)C(=O)[O-] ZINC000828970943 603737207 /nfs/dbraw/zinc/73/72/07/603737207.db2.gz KEAKJOFENBYZEH-HNNXBMFYSA-N -1 0 356.379 -0.551 20 0 FBADRM COCCN(CC(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)C(=O)[O-] ZINC000828970944 603737169 /nfs/dbraw/zinc/73/71/69/603737169.db2.gz KEAKJOFENBYZEH-OAHLLOKOSA-N -1 0 356.379 -0.551 20 0 FBADRM COCCN(CC(=O)N1CCO[C@@H](Cn2nc(C)nc2C)C1)C(=O)[O-] ZINC000828971144 603217857 /nfs/dbraw/zinc/21/78/57/603217857.db2.gz PTOWUKRPMTUJEO-CYBMUJFWSA-N -1 0 355.395 -0.251 20 0 FBADRM COCCN(CC(=O)N1CCO[C@H](Cn2nc(C)nc2C)C1)C(=O)[O-] ZINC000828971145 603219192 /nfs/dbraw/zinc/21/91/92/603219192.db2.gz PTOWUKRPMTUJEO-ZDUSSCGKSA-N -1 0 355.395 -0.251 20 0 FBADRM COCCN(CC(=O)N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1)C(=O)[O-] ZINC000828971165 603780364 /nfs/dbraw/zinc/78/03/64/603780364.db2.gz QJJAKJIMCFDZLL-DZGCQCFKSA-N -1 0 370.450 -0.376 20 0 FBADRM COCCN(CC(=O)N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1)C(=O)[O-] ZINC000828971166 603780113 /nfs/dbraw/zinc/78/01/13/603780113.db2.gz QJJAKJIMCFDZLL-HIFRSBDPSA-N -1 0 370.450 -0.376 20 0 FBADRM COCCN(CC(=O)N1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1)C(=O)[O-] ZINC000828971167 603780135 /nfs/dbraw/zinc/78/01/35/603780135.db2.gz QJJAKJIMCFDZLL-UKRRQHHQSA-N -1 0 370.450 -0.376 20 0 FBADRM COCCN(CC(=O)N1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1)C(=O)[O-] ZINC000828971168 603780357 /nfs/dbraw/zinc/78/03/57/603780357.db2.gz QJJAKJIMCFDZLL-ZFWWWQNUSA-N -1 0 370.450 -0.376 20 0 FBADRM COCCN(CC(=O)N(C)C)C(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000828971208 603792931 /nfs/dbraw/zinc/79/29/31/603792931.db2.gz RGLAEQCMOHNQQI-UHFFFAOYSA-N -1 0 358.439 -0.376 20 0 FBADRM COCCN(CC(=O)N1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1)C(=O)[O-] ZINC000828971262 603676198 /nfs/dbraw/zinc/67/61/98/603676198.db2.gz UADOQXUVHZAUAV-BMIGLBTASA-N -1 0 356.379 -0.551 20 0 FBADRM COCCN(CC(=O)N1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1)C(=O)[O-] ZINC000828971263 603676435 /nfs/dbraw/zinc/67/64/35/603676435.db2.gz UADOQXUVHZAUAV-BONVTDFDSA-N -1 0 356.379 -0.551 20 0 FBADRM COCCN(CC(=O)N1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1)C(=O)[O-] ZINC000828971264 603676438 /nfs/dbraw/zinc/67/64/38/603676438.db2.gz UADOQXUVHZAUAV-MEBBXXQBSA-N -1 0 356.379 -0.551 20 0 FBADRM COCCN(CC(=O)N1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1)C(=O)[O-] ZINC000828971265 603676275 /nfs/dbraw/zinc/67/62/75/603676275.db2.gz UADOQXUVHZAUAV-ZUZCIYMTSA-N -1 0 356.379 -0.551 20 0 FBADRM COCCN(CC(=O)N(C)C1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000828971331 604324822 /nfs/dbraw/zinc/32/48/22/604324822.db2.gz VXARDXNERTVTSI-UHFFFAOYSA-N -1 0 351.425 -0.505 20 0 FBADRM COCCN(CC(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000828975236 603207110 /nfs/dbraw/zinc/20/71/10/603207110.db2.gz AMXLOVOUAOOASV-CMPLNLGQSA-N -1 0 353.379 -0.344 20 0 FBADRM COCCN(CC(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000828975237 603207259 /nfs/dbraw/zinc/20/72/59/603207259.db2.gz AMXLOVOUAOOASV-JQWIXIFHSA-N -1 0 353.379 -0.344 20 0 FBADRM COCCN(CC(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000828975238 603207065 /nfs/dbraw/zinc/20/70/65/603207065.db2.gz AMXLOVOUAOOASV-PWSUYJOCSA-N -1 0 353.379 -0.344 20 0 FBADRM COCCN(CC(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000828975239 603207222 /nfs/dbraw/zinc/20/72/22/603207222.db2.gz AMXLOVOUAOOASV-ZYHUDNBSSA-N -1 0 353.379 -0.344 20 0 FBADRM COCCN(CC(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O)C(=O)[O-] ZINC000828975322 603736853 /nfs/dbraw/zinc/73/68/53/603736853.db2.gz CVMNBUZAZURCEW-GHMZBOCLSA-N -1 0 351.425 -0.553 20 0 FBADRM COCCN(CC(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O)C(=O)[O-] ZINC000828975323 603736673 /nfs/dbraw/zinc/73/66/73/603736673.db2.gz CVMNBUZAZURCEW-MNOVXSKESA-N -1 0 351.425 -0.553 20 0 FBADRM COCCN(CC(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O)C(=O)[O-] ZINC000828975325 603736701 /nfs/dbraw/zinc/73/67/01/603736701.db2.gz CVMNBUZAZURCEW-QWRGUYRKSA-N -1 0 351.425 -0.553 20 0 FBADRM COCCN(CC(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O)C(=O)[O-] ZINC000828975326 603736774 /nfs/dbraw/zinc/73/67/74/603736774.db2.gz CVMNBUZAZURCEW-WDEREUQCSA-N -1 0 351.425 -0.553 20 0 FBADRM COCCN(CC(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O)C(=O)[O-] ZINC000828975742 603069676 /nfs/dbraw/zinc/06/96/76/603069676.db2.gz DQXWHASLLOLHKK-LLVKDONJSA-N -1 0 353.379 -0.424 20 0 FBADRM COCCN(CC(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O)C(=O)[O-] ZINC000828975746 603069532 /nfs/dbraw/zinc/06/95/32/603069532.db2.gz DQXWHASLLOLHKK-NSHDSACASA-N -1 0 353.379 -0.424 20 0 FBADRM COCCN(CC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)C(=O)[O-] ZINC000828976161 603961990 /nfs/dbraw/zinc/96/19/90/603961990.db2.gz JJMQZDWPONNICG-UHFFFAOYSA-N -1 0 363.436 -0.314 20 0 FBADRM CC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)C(=O)[O-] ZINC000828976360 601748944 /nfs/dbraw/zinc/74/89/44/601748944.db2.gz LDCYEVDJYNTJGA-QMMMGPOBSA-N -1 0 351.344 -0.309 20 0 FBADRM COCCN(CC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O)C(=O)[O-] ZINC000828976433 603223021 /nfs/dbraw/zinc/22/30/21/603223021.db2.gz LYPJFNMRIRLLOI-GFCCVEGCSA-N -1 0 367.406 -0.033 20 0 FBADRM COCCN(CC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O)C(=O)[O-] ZINC000828976435 603223243 /nfs/dbraw/zinc/22/32/43/603223243.db2.gz LYPJFNMRIRLLOI-LBPRGKRZSA-N -1 0 367.406 -0.033 20 0 FBADRM COCCN(CC(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@H]1C)C(=O)[O-] ZINC000828976865 603462853 /nfs/dbraw/zinc/46/28/53/603462853.db2.gz WFXMVQCANXJBJX-GHMZBOCLSA-N -1 0 351.425 -0.601 20 0 FBADRM COCCN(CC(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@H]1C)C(=O)[O-] ZINC000828976866 603462379 /nfs/dbraw/zinc/46/23/79/603462379.db2.gz WFXMVQCANXJBJX-MNOVXSKESA-N -1 0 351.425 -0.601 20 0 FBADRM COCCN(CC(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@@H]1C)C(=O)[O-] ZINC000828976867 603462908 /nfs/dbraw/zinc/46/29/08/603462908.db2.gz WFXMVQCANXJBJX-QWRGUYRKSA-N -1 0 351.425 -0.601 20 0 FBADRM COCCN(CC(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C)C(=O)[O-] ZINC000828976868 603462938 /nfs/dbraw/zinc/46/29/38/603462938.db2.gz WFXMVQCANXJBJX-WDEREUQCSA-N -1 0 351.425 -0.601 20 0 FBADRM COCCN(CC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)C(=O)[O-] ZINC000828976903 603819310 /nfs/dbraw/zinc/81/93/10/603819310.db2.gz XVOLIYUWIQQQGH-BMIGLBTASA-N -1 0 356.379 -0.551 20 0 FBADRM COCCN(CC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)C(=O)[O-] ZINC000828976904 603819195 /nfs/dbraw/zinc/81/91/95/603819195.db2.gz XVOLIYUWIQQQGH-BONVTDFDSA-N -1 0 356.379 -0.551 20 0 FBADRM COCCN(CC(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)C(=O)[O-] ZINC000828976905 603819158 /nfs/dbraw/zinc/81/91/58/603819158.db2.gz XVOLIYUWIQQQGH-MEBBXXQBSA-N -1 0 356.379 -0.551 20 0 FBADRM COCCN(CC(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)C(=O)[O-] ZINC000828976906 603819428 /nfs/dbraw/zinc/81/94/28/603819428.db2.gz XVOLIYUWIQQQGH-ZUZCIYMTSA-N -1 0 356.379 -0.551 20 0 FBADRM COCCN(CC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000828979261 603205238 /nfs/dbraw/zinc/20/52/38/603205238.db2.gz DLZAGFMWENKKNU-JTQLQIEISA-N -1 0 360.392 -0.192 20 0 FBADRM COCCN(CC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000828979262 603205127 /nfs/dbraw/zinc/20/51/27/603205127.db2.gz DLZAGFMWENKKNU-SNVBAGLBSA-N -1 0 360.392 -0.192 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000828979564 605538193 /nfs/dbraw/zinc/53/81/93/605538193.db2.gz IBLNMEFJKIPDDC-NEPJUHHUSA-N -1 0 353.441 -0.054 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C ZINC000828979565 605537975 /nfs/dbraw/zinc/53/79/75/605537975.db2.gz IBLNMEFJKIPDDC-NWDGAFQWSA-N -1 0 353.441 -0.054 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C ZINC000828979566 605537962 /nfs/dbraw/zinc/53/79/62/605537962.db2.gz IBLNMEFJKIPDDC-RYUDHWBXSA-N -1 0 353.441 -0.054 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000828979567 605537984 /nfs/dbraw/zinc/53/79/84/605537984.db2.gz IBLNMEFJKIPDDC-VXGBXAGGSA-N -1 0 353.441 -0.054 20 0 FBADRM COCCN(CCOC)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000828979601 603520144 /nfs/dbraw/zinc/52/01/44/603520144.db2.gz JDYVSJWJFHFOLT-UHFFFAOYSA-N -1 0 358.395 -0.397 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828979780 604491423 /nfs/dbraw/zinc/49/14/23/604491423.db2.gz MBRDRKVHFSEIIX-NEPJUHHUSA-N -1 0 369.440 -0.817 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000828979781 604491409 /nfs/dbraw/zinc/49/14/09/604491409.db2.gz MBRDRKVHFSEIIX-NWDGAFQWSA-N -1 0 369.440 -0.817 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000828979782 604491526 /nfs/dbraw/zinc/49/15/26/604491526.db2.gz MBRDRKVHFSEIIX-RYUDHWBXSA-N -1 0 369.440 -0.817 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000828979783 604491497 /nfs/dbraw/zinc/49/14/97/604491497.db2.gz MBRDRKVHFSEIIX-VXGBXAGGSA-N -1 0 369.440 -0.817 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000828980142 603152370 /nfs/dbraw/zinc/15/23/70/603152370.db2.gz UVWZPZMSKICKFX-GFCCVEGCSA-N -1 0 353.441 -0.100 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCC[C@H]1CN(C)C(=O)[O-] ZINC000828980143 603152303 /nfs/dbraw/zinc/15/23/03/603152303.db2.gz UVWZPZMSKICKFX-LBPRGKRZSA-N -1 0 353.441 -0.100 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1CCN(C(=O)[O-])CC1(C)C ZINC000828980221 603758080 /nfs/dbraw/zinc/75/80/80/603758080.db2.gz XYYMDCCYQNFEKC-UHFFFAOYSA-N -1 0 353.441 -0.100 20 0 FBADRM CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)N1CCOCC1 ZINC000828988728 601523150 /nfs/dbraw/zinc/52/31/50/601523150.db2.gz BNFAXJLFKMYQRV-LLVKDONJSA-N -1 0 359.404 -0.361 20 0 FBADRM CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)N1CCOCC1 ZINC000828988729 601523096 /nfs/dbraw/zinc/52/30/96/601523096.db2.gz BNFAXJLFKMYQRV-NSHDSACASA-N -1 0 359.404 -0.361 20 0 FBADRM CC[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)N1CCOCC1 ZINC000828988910 601523075 /nfs/dbraw/zinc/52/30/75/601523075.db2.gz JTSXLLDXXBPRCS-GFCCVEGCSA-N -1 0 363.436 -0.745 20 0 FBADRM CC[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)N1CCOCC1 ZINC000828988911 601523255 /nfs/dbraw/zinc/52/32/55/601523255.db2.gz JTSXLLDXXBPRCS-LBPRGKRZSA-N -1 0 363.436 -0.745 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000828990044 603940082 /nfs/dbraw/zinc/94/00/82/603940082.db2.gz CZWWWAUORNXZOH-CHWSQXEVSA-N -1 0 356.423 -0.671 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000828990046 603940078 /nfs/dbraw/zinc/94/00/78/603940078.db2.gz CZWWWAUORNXZOH-OLZOCXBDSA-N -1 0 356.423 -0.671 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000828990048 603939712 /nfs/dbraw/zinc/93/97/12/603939712.db2.gz CZWWWAUORNXZOH-QWHCGFSZSA-N -1 0 356.423 -0.671 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000828990050 603939683 /nfs/dbraw/zinc/93/96/83/603939683.db2.gz CZWWWAUORNXZOH-STQMWFEESA-N -1 0 356.423 -0.671 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)C2(CNC(=O)[O-])CCCC2)CC1 ZINC000828990171 603620109 /nfs/dbraw/zinc/62/01/09/603620109.db2.gz FHQABFIYOFDNKF-UHFFFAOYSA-N -1 0 370.450 -0.279 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@@]2(C)CCN(C(=O)[O-])C2)CC1 ZINC000828990570 603868975 /nfs/dbraw/zinc/86/89/75/603868975.db2.gz GFJIGLVXVPLIAH-INIZCTEOSA-N -1 0 356.423 -0.717 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@]2(C)CCN(C(=O)[O-])C2)CC1 ZINC000828990572 603868929 /nfs/dbraw/zinc/86/89/29/603868929.db2.gz GFJIGLVXVPLIAH-MRXNPFEDSA-N -1 0 356.423 -0.717 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)c2ccc(CNC(=O)[O-])o2)CC1 ZINC000828990656 603253568 /nfs/dbraw/zinc/25/35/68/603253568.db2.gz GZIRSMNLBGCCSJ-UHFFFAOYSA-N -1 0 368.390 -0.432 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N[C@H]2CCN(C(=O)[O-])C2)cn1 ZINC000828990691 603564746 /nfs/dbraw/zinc/56/47/46/603564746.db2.gz HHLAGQWZOKVDNB-JTQLQIEISA-N -1 0 354.367 -0.481 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N[C@@H]2CCN(C(=O)[O-])C2)cn1 ZINC000828990692 603565000 /nfs/dbraw/zinc/56/50/00/603565000.db2.gz HHLAGQWZOKVDNB-SNVBAGLBSA-N -1 0 354.367 -0.481 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)cn1 ZINC000828991145 603919549 /nfs/dbraw/zinc/91/95/49/603919549.db2.gz IKRWJOCKBBWNLO-AWEZNQCLSA-N -1 0 357.342 -0.324 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)cn1 ZINC000828991146 603919584 /nfs/dbraw/zinc/91/95/84/603919584.db2.gz IKRWJOCKBBWNLO-CQSZACIVSA-N -1 0 357.342 -0.324 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2CCC[C@@H]2CNC(=O)[O-])cn1 ZINC000828991147 603565340 /nfs/dbraw/zinc/56/53/40/603565340.db2.gz ILVJMYQWEGEUIQ-GFCCVEGCSA-N -1 0 368.394 -0.090 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2CCC[C@H]2CNC(=O)[O-])cn1 ZINC000828991148 603565337 /nfs/dbraw/zinc/56/53/37/603565337.db2.gz ILVJMYQWEGEUIQ-LBPRGKRZSA-N -1 0 368.394 -0.090 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)NCC(C)(C)NC(=O)[O-])CC1 ZINC000828991199 603452953 /nfs/dbraw/zinc/45/29/53/603452953.db2.gz JXGAZWZBYHEUJO-UHFFFAOYSA-N -1 0 359.427 -0.878 20 0 FBADRM COCCNC(=O)CNC(=O)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000828991559 604027537 /nfs/dbraw/zinc/02/75/37/604027537.db2.gz KYFQEKHVRIGLQF-UHFFFAOYSA-N -1 0 364.358 -0.456 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2CCC[C@@H](NC(=O)[O-])C2)cn1 ZINC000828991612 603564789 /nfs/dbraw/zinc/56/47/89/603564789.db2.gz LZRHZANLMKGGQL-LLVKDONJSA-N -1 0 368.394 -0.090 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2CCC[C@H](NC(=O)[O-])C2)cn1 ZINC000828991614 603565226 /nfs/dbraw/zinc/56/52/26/603565226.db2.gz LZRHZANLMKGGQL-NSHDSACASA-N -1 0 368.394 -0.090 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000828991994 603564930 /nfs/dbraw/zinc/56/49/30/603564930.db2.gz MTQSANVJSUMUHA-LLVKDONJSA-N -1 0 368.394 -0.090 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N[C@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000828991996 603565321 /nfs/dbraw/zinc/56/53/21/603565321.db2.gz MTQSANVJSUMUHA-NSHDSACASA-N -1 0 368.394 -0.090 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2CC[C@H](NC(=O)[O-])C2)cn1 ZINC000828992024 605088574 /nfs/dbraw/zinc/08/85/74/605088574.db2.gz NFUJTCUPGYYQAG-JTQLQIEISA-N -1 0 354.367 -0.481 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2CC[C@@H](NC(=O)[O-])C2)cn1 ZINC000828992025 604552526 /nfs/dbraw/zinc/55/25/26/604552526.db2.gz NFUJTCUPGYYQAG-SNVBAGLBSA-N -1 0 354.367 -0.481 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828992448 604751766 /nfs/dbraw/zinc/75/17/66/604751766.db2.gz OZABFFQNVPEQTA-JHJVBQTASA-N -1 0 357.407 -0.245 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828992458 604751434 /nfs/dbraw/zinc/75/14/34/604751434.db2.gz OZABFFQNVPEQTA-UPJWGTAASA-N -1 0 357.407 -0.245 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828992460 604751725 /nfs/dbraw/zinc/75/17/25/604751725.db2.gz OZABFFQNVPEQTA-XQQFMLRXSA-N -1 0 357.407 -0.245 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000828992462 604751601 /nfs/dbraw/zinc/75/16/01/604751601.db2.gz OZABFFQNVPEQTA-YNEHKIRRSA-N -1 0 357.407 -0.245 20 0 FBADRM COCCNC(=O)C1CCN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)CC1 ZINC000828992513 603584440 /nfs/dbraw/zinc/58/44/40/603584440.db2.gz PVZIBUIXBOHUSQ-UHFFFAOYSA-N -1 0 368.434 -0.369 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)cn1 ZINC000828992549 604958585 /nfs/dbraw/zinc/95/85/85/604958585.db2.gz QEEXBDZGNHYPOT-GFCCVEGCSA-N -1 0 369.378 -0.647 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)cn1 ZINC000828992551 604958643 /nfs/dbraw/zinc/95/86/43/604958643.db2.gz QEEXBDZGNHYPOT-LBPRGKRZSA-N -1 0 369.378 -0.647 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)cn1 ZINC000828992586 603961667 /nfs/dbraw/zinc/96/16/67/603961667.db2.gz QKHKHOOJDRYJET-HNNXBMFYSA-N -1 0 353.379 -0.026 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)[C@]2(C)CCN(C(=O)[O-])C2)cn1 ZINC000828992587 603961716 /nfs/dbraw/zinc/96/17/16/603961716.db2.gz QKHKHOOJDRYJET-OAHLLOKOSA-N -1 0 353.379 -0.026 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)NC2CCN(C(=O)[O-])CC2)cn1 ZINC000828992758 603565045 /nfs/dbraw/zinc/56/50/45/603565045.db2.gz RHRZFHYWRYUZIT-UHFFFAOYSA-N -1 0 368.394 -0.090 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2CCC(NC(=O)[O-])CC2)cn1 ZINC000828992784 603564829 /nfs/dbraw/zinc/56/48/29/603564829.db2.gz RPTDUJICIYHUDJ-UHFFFAOYSA-N -1 0 368.394 -0.090 20 0 FBADRM COCCN1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)CC1 ZINC000828992817 603742837 /nfs/dbraw/zinc/74/28/37/603742837.db2.gz RVLKZFDTIBPMCY-UHFFFAOYSA-N -1 0 351.363 -0.099 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000828992826 604137445 /nfs/dbraw/zinc/13/74/45/604137445.db2.gz RWSHJLJVYIXQJT-CYBMUJFWSA-N -1 0 371.438 -0.781 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000828992828 604137683 /nfs/dbraw/zinc/13/76/83/604137683.db2.gz RWSHJLJVYIXQJT-ZDUSSCGKSA-N -1 0 371.438 -0.781 20 0 FBADRM COCCNC(=O)C1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828992830 604677858 /nfs/dbraw/zinc/67/78/58/604677858.db2.gz RWUCGUNLEPKAGA-CYBMUJFWSA-N -1 0 357.407 -0.244 20 0 FBADRM COCCNC(=O)C1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828992832 604678193 /nfs/dbraw/zinc/67/81/93/604678193.db2.gz RWUCGUNLEPKAGA-ZDUSSCGKSA-N -1 0 357.407 -0.244 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N(C)[C@@H]2CCN(C(=O)[O-])C2)cn1 ZINC000828992845 603565263 /nfs/dbraw/zinc/56/52/63/603565263.db2.gz SACOVNCIOZZSMR-GFCCVEGCSA-N -1 0 368.394 -0.138 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N(C)[C@H]2CCN(C(=O)[O-])C2)cn1 ZINC000828992847 603565090 /nfs/dbraw/zinc/56/50/90/603565090.db2.gz SACOVNCIOZZSMR-LBPRGKRZSA-N -1 0 368.394 -0.138 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)C[C@H]2CCCN2C(=O)[O-])CC1 ZINC000828992968 603253867 /nfs/dbraw/zinc/25/38/67/603253867.db2.gz TUTOZGYVQUWLOS-CYBMUJFWSA-N -1 0 356.423 -0.574 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)C[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000828992969 603253886 /nfs/dbraw/zinc/25/38/86/603253886.db2.gz TUTOZGYVQUWLOS-ZDUSSCGKSA-N -1 0 356.423 -0.574 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2CC[C@H](CNC(=O)[O-])C2)cn1 ZINC000828992974 603564811 /nfs/dbraw/zinc/56/48/11/603564811.db2.gz UARFGMPGQSVNKL-LLVKDONJSA-N -1 0 368.394 -0.233 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2CC[C@@H](CNC(=O)[O-])C2)cn1 ZINC000828992975 603565268 /nfs/dbraw/zinc/56/52/68/603565268.db2.gz UARFGMPGQSVNKL-NSHDSACASA-N -1 0 368.394 -0.233 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)CC2(NC(=O)[O-])CCC2)CC1 ZINC000828992993 604071372 /nfs/dbraw/zinc/07/13/72/604071372.db2.gz UHXLSNUOESKZKF-UHFFFAOYSA-N -1 0 356.423 -0.526 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)[O-])C(C)(C)C)CC1 ZINC000828993009 605589340 /nfs/dbraw/zinc/58/93/40/605589340.db2.gz UUQSFENLOZZNNI-CYBMUJFWSA-N -1 0 358.439 -0.425 20 0 FBADRM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000828993011 603987290 /nfs/dbraw/zinc/98/72/90/603987290.db2.gz UWHPNBGMZBABRV-NEPJUHHUSA-N -1 0 357.407 -0.245 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000828993012 603987263 /nfs/dbraw/zinc/98/72/63/603987263.db2.gz UWHPNBGMZBABRV-NWDGAFQWSA-N -1 0 357.407 -0.245 20 0 FBADRM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000828993013 603987371 /nfs/dbraw/zinc/98/73/71/603987371.db2.gz UWHPNBGMZBABRV-RYUDHWBXSA-N -1 0 357.407 -0.245 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000828993014 603987451 /nfs/dbraw/zinc/98/74/51/603987451.db2.gz UWHPNBGMZBABRV-VXGBXAGGSA-N -1 0 357.407 -0.245 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)cn1 ZINC000828993030 604150492 /nfs/dbraw/zinc/15/04/92/604150492.db2.gz VFVDWDOCGVTGRY-GFCCVEGCSA-N -1 0 368.394 -0.138 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2CC[C@H](N(C)C(=O)[O-])C2)cn1 ZINC000828993031 604150469 /nfs/dbraw/zinc/15/04/69/604150469.db2.gz VFVDWDOCGVTGRY-LBPRGKRZSA-N -1 0 368.394 -0.138 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2CCCN(C(=O)[O-])CC2)cn1 ZINC000828993065 603565060 /nfs/dbraw/zinc/56/50/60/603565060.db2.gz VUPKEAKBCUIBKP-UHFFFAOYSA-N -1 0 368.394 -0.137 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2CCN(C(=O)[O-])[C@H](C)C2)cn1 ZINC000828993085 603564963 /nfs/dbraw/zinc/56/49/63/603564963.db2.gz WKKUMAMTVBKCML-LLVKDONJSA-N -1 0 368.394 -0.138 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)cn1 ZINC000828993086 603566092 /nfs/dbraw/zinc/56/60/92/603566092.db2.gz WKKUMAMTVBKCML-NSHDSACASA-N -1 0 368.394 -0.138 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2CCN(C(=O)[O-])CC2)cn1 ZINC000828993102 604249952 /nfs/dbraw/zinc/24/99/52/604249952.db2.gz WXDMPYZXDVUIOT-UHFFFAOYSA-N -1 0 354.367 -0.527 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)NC2CCN(C(=O)[O-])CC2)CC1 ZINC000828993136 603995162 /nfs/dbraw/zinc/99/51/62/603995162.db2.gz XQCRWQDZGXCGEP-UHFFFAOYSA-N -1 0 371.438 -0.781 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)NC[C@H]2CCCN2C(=O)[O-])CC1 ZINC000828993255 604121531 /nfs/dbraw/zinc/12/15/31/604121531.db2.gz ZWTNPTOKQABJNU-CYBMUJFWSA-N -1 0 371.438 -0.781 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000828993256 604121569 /nfs/dbraw/zinc/12/15/69/604121569.db2.gz ZWTNPTOKQABJNU-ZDUSSCGKSA-N -1 0 371.438 -0.781 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000828994969 604469823 /nfs/dbraw/zinc/46/98/23/604469823.db2.gz BPOJKZZYDXYOER-SECBINFHSA-N -1 0 360.392 -0.579 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@H](NC(=O)[O-])C2)c1 ZINC000828994971 605130046 /nfs/dbraw/zinc/13/00/46/605130046.db2.gz BPOJKZZYDXYOER-VIFPVBQESA-N -1 0 360.392 -0.579 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000828994981 605404875 /nfs/dbraw/zinc/40/48/75/605404875.db2.gz CEYPFPKYVHANEA-SECBINFHSA-N -1 0 361.376 -0.152 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000828994982 605404728 /nfs/dbraw/zinc/40/47/28/605404728.db2.gz CEYPFPKYVHANEA-VIFPVBQESA-N -1 0 361.376 -0.152 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@H](N(C)C(=O)[O-])C2)c1 ZINC000828994986 603536876 /nfs/dbraw/zinc/53/68/76/603536876.db2.gz CGMHLMAWQWRZLA-JTQLQIEISA-N -1 0 374.419 -0.236 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)c1 ZINC000828994987 603536637 /nfs/dbraw/zinc/53/66/37/603536637.db2.gz CGMHLMAWQWRZLA-SNVBAGLBSA-N -1 0 374.419 -0.236 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)NC[C@@H]2CCCN2C(=O)[O-])c1 ZINC000828994989 603769893 /nfs/dbraw/zinc/76/98/93/603769893.db2.gz CGUAVHGKVGTJHM-JTQLQIEISA-N -1 0 374.419 -0.188 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)NC[C@H]2CCCN2C(=O)[O-])c1 ZINC000828994996 603769450 /nfs/dbraw/zinc/76/94/50/603769450.db2.gz CGUAVHGKVGTJHM-SNVBAGLBSA-N -1 0 374.419 -0.188 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N(C)[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000828995002 603872559 /nfs/dbraw/zinc/87/25/59/603872559.db2.gz CJBMXDRIYILWPC-JTQLQIEISA-N -1 0 374.419 -0.236 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N(C)[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000828995004 603872258 /nfs/dbraw/zinc/87/22/58/603872258.db2.gz CJBMXDRIYILWPC-SNVBAGLBSA-N -1 0 374.419 -0.236 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N(C)[C@H](C)CNC(=O)[O-])c1 ZINC000828995153 603779722 /nfs/dbraw/zinc/77/97/22/603779722.db2.gz CZUUKAHAFRFYSA-SECBINFHSA-N -1 0 362.408 -0.333 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N(C)[C@@H](C)CNC(=O)[O-])c1 ZINC000828995157 603779817 /nfs/dbraw/zinc/77/98/17/603779817.db2.gz CZUUKAHAFRFYSA-VIFPVBQESA-N -1 0 362.408 -0.333 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C)c1 ZINC000828995209 603575740 /nfs/dbraw/zinc/57/57/40/603575740.db2.gz DZNDRJAQPFQPRO-JTQLQIEISA-N -1 0 374.419 -0.236 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(C(=O)[O-])C[C@H]2C)c1 ZINC000828995210 603575770 /nfs/dbraw/zinc/57/57/70/603575770.db2.gz DZNDRJAQPFQPRO-SNVBAGLBSA-N -1 0 374.419 -0.236 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCCN(C(=O)[O-])CC2)c1 ZINC000828995220 603682226 /nfs/dbraw/zinc/68/22/26/603682226.db2.gz FDNOUYJVYSTBGE-UHFFFAOYSA-N -1 0 374.419 -0.235 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)c1 ZINC000828995271 603840423 /nfs/dbraw/zinc/84/04/23/603840423.db2.gz FMBVLEJVQQPXBL-JTQLQIEISA-N -1 0 374.419 -0.236 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(C(=O)[O-])[C@H](C)C2)c1 ZINC000828995272 603840020 /nfs/dbraw/zinc/84/00/20/603840020.db2.gz FMBVLEJVQQPXBL-SNVBAGLBSA-N -1 0 374.419 -0.236 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)OC2(C)CN(C(=O)[O-])C2)c1 ZINC000828995494 605405596 /nfs/dbraw/zinc/40/55/96/605405596.db2.gz IPSBGWCYJABYIU-UHFFFAOYSA-N -1 0 361.376 -0.152 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000828995502 603799333 /nfs/dbraw/zinc/79/93/33/603799333.db2.gz IVCWWIQYQBENCE-JTQLQIEISA-N -1 0 374.419 -0.188 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000828995503 603799841 /nfs/dbraw/zinc/79/98/41/603799841.db2.gz IVCWWIQYQBENCE-SNVBAGLBSA-N -1 0 374.419 -0.188 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCC[C@H]2CNC(=O)[O-])c1 ZINC000828995804 603863007 /nfs/dbraw/zinc/86/30/07/603863007.db2.gz LLYHCKKRKRMDPD-JTQLQIEISA-N -1 0 374.419 -0.188 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCC[C@@H]2CNC(=O)[O-])c1 ZINC000828995805 603863031 /nfs/dbraw/zinc/86/30/31/603863031.db2.gz LLYHCKKRKRMDPD-SNVBAGLBSA-N -1 0 374.419 -0.188 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)NCC(C)(C)NC(=O)[O-])c1 ZINC000828995952 603871015 /nfs/dbraw/zinc/87/10/15/603871015.db2.gz MQTVTAYGIFSQJP-UHFFFAOYSA-N -1 0 362.408 -0.285 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000828996013 661131149 /nfs/dbraw/zinc/13/11/49/661131149.db2.gz NNQIVTFXFREAMQ-SECBINFHSA-N -1 0 360.392 -0.579 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000828996015 661131037 /nfs/dbraw/zinc/13/10/37/661131037.db2.gz NNQIVTFXFREAMQ-VIFPVBQESA-N -1 0 360.392 -0.579 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)[O-])C2)c1 ZINC000828996044 603729541 /nfs/dbraw/zinc/72/95/41/603729541.db2.gz OAZYVTXMAVARLE-JTQLQIEISA-N -1 0 374.419 -0.331 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@H](CNC(=O)[O-])C2)c1 ZINC000828996046 603729834 /nfs/dbraw/zinc/72/98/34/603729834.db2.gz OAZYVTXMAVARLE-SNVBAGLBSA-N -1 0 374.419 -0.331 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)NC[C@H]2CCCN2C(=O)[O-])cn1 ZINC000828996751 603565965 /nfs/dbraw/zinc/56/59/65/603565965.db2.gz WCCOAJHCUIFAAS-GFCCVEGCSA-N -1 0 368.394 -0.090 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)NC[C@@H]2CCCN2C(=O)[O-])cn1 ZINC000828996752 603566014 /nfs/dbraw/zinc/56/60/14/603566014.db2.gz WCCOAJHCUIFAAS-LBPRGKRZSA-N -1 0 368.394 -0.090 20 0 FBADRM CC[C@@H](O)CCNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000828998660 602138984 /nfs/dbraw/zinc/13/89/84/602138984.db2.gz DPQWBQQYYQINAD-GFCCVEGCSA-N -1 0 351.359 -0.283 20 0 FBADRM CC[C@H](O)CCNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000828998661 602138859 /nfs/dbraw/zinc/13/88/59/602138859.db2.gz DPQWBQQYYQINAD-LBPRGKRZSA-N -1 0 351.359 -0.283 20 0 FBADRM CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000828999129 601739875 /nfs/dbraw/zinc/73/98/75/601739875.db2.gz RINAYNLSHKKKPC-KBPBESRZSA-N -1 0 374.401 -0.023 20 0 FBADRM CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000828999130 601739726 /nfs/dbraw/zinc/73/97/26/601739726.db2.gz RINAYNLSHKKKPC-KGLIPLIRSA-N -1 0 374.401 -0.023 20 0 FBADRM CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000828999131 601739631 /nfs/dbraw/zinc/73/96/31/601739631.db2.gz RINAYNLSHKKKPC-UONOGXRCSA-N -1 0 374.401 -0.023 20 0 FBADRM CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000828999132 601739785 /nfs/dbraw/zinc/73/97/85/601739785.db2.gz RINAYNLSHKKKPC-ZIAGYGMSSA-N -1 0 374.401 -0.023 20 0 FBADRM COCCOC[C@@H]1CCN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000829001513 603738328 /nfs/dbraw/zinc/73/83/28/603738328.db2.gz AKZDOQQKTVWBTC-CYBMUJFWSA-N -1 0 372.422 -0.497 20 0 FBADRM COCCOC[C@H]1CCN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000829001518 603738597 /nfs/dbraw/zinc/73/85/97/603738597.db2.gz AKZDOQQKTVWBTC-ZDUSSCGKSA-N -1 0 372.422 -0.497 20 0 FBADRM COCCOC[C@H]1CCN(C(=O)NCCN2CCN(C(=O)[O-])CC2)C1 ZINC000829001704 604075242 /nfs/dbraw/zinc/07/52/42/604075242.db2.gz DDZXLWXPRMSYTL-AWEZNQCLSA-N -1 0 358.439 -0.024 20 0 FBADRM COCCOC[C@@H]1CCN(C(=O)NCCN2CCN(C(=O)[O-])CC2)C1 ZINC000829001705 604075369 /nfs/dbraw/zinc/07/53/69/604075369.db2.gz DDZXLWXPRMSYTL-CQSZACIVSA-N -1 0 358.439 -0.024 20 0 FBADRM COCCS(=O)(=O)CCCN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O ZINC000829018838 605346758 /nfs/dbraw/zinc/34/67/58/605346758.db2.gz WTQMCPAWJZLNCZ-CYBMUJFWSA-N -1 0 363.392 -0.888 20 0 FBADRM COCCS(=O)(=O)CCCN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O ZINC000829018839 605346976 /nfs/dbraw/zinc/34/69/76/605346976.db2.gz WTQMCPAWJZLNCZ-ZDUSSCGKSA-N -1 0 363.392 -0.888 20 0 FBADRM COCCc1cc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)n(C)n1 ZINC000829023428 605497361 /nfs/dbraw/zinc/49/73/61/605497361.db2.gz AODZMQOGQRCRSS-LLVKDONJSA-N -1 0 353.379 -0.194 20 0 FBADRM COCCc1cc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)n(C)n1 ZINC000829023429 605496980 /nfs/dbraw/zinc/49/69/80/605496980.db2.gz AODZMQOGQRCRSS-NSHDSACASA-N -1 0 353.379 -0.194 20 0 FBADRM COCCc1cc(NC(=O)C(=O)NC[C@H]2CCCN2C(=O)[O-])n(C)n1 ZINC000829023710 605497104 /nfs/dbraw/zinc/49/71/04/605497104.db2.gz DFONJNBGTYIHJZ-LLVKDONJSA-N -1 0 353.379 -0.194 20 0 FBADRM COCCc1cc(NC(=O)C(=O)NC[C@@H]2CCCN2C(=O)[O-])n(C)n1 ZINC000829023711 605496958 /nfs/dbraw/zinc/49/69/58/605496958.db2.gz DFONJNBGTYIHJZ-NSHDSACASA-N -1 0 353.379 -0.194 20 0 FBADRM COCCc1cc(NC(=O)C(=O)N2CC[C@@H](CNC(=O)[O-])C2)n(C)n1 ZINC000829024057 605493368 /nfs/dbraw/zinc/49/33/68/605493368.db2.gz IXCFYSCIXBEKOQ-JTQLQIEISA-N -1 0 353.379 -0.336 20 0 FBADRM COCCc1cc(NC(=O)C(=O)N2CC[C@H](CNC(=O)[O-])C2)n(C)n1 ZINC000829024058 605493641 /nfs/dbraw/zinc/49/36/41/605493641.db2.gz IXCFYSCIXBEKOQ-SNVBAGLBSA-N -1 0 353.379 -0.336 20 0 FBADRM COCCc1cc(NC(=O)C(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)n(C)n1 ZINC000829024068 605500293 /nfs/dbraw/zinc/50/02/93/605500293.db2.gz JCWDPNVEMZWYFG-LLVKDONJSA-N -1 0 353.379 -0.242 20 0 FBADRM COCCc1cc(NC(=O)C(=O)N2CC[C@H](N(C)C(=O)[O-])C2)n(C)n1 ZINC000829024069 605500333 /nfs/dbraw/zinc/50/03/33/605500333.db2.gz JCWDPNVEMZWYFG-NSHDSACASA-N -1 0 353.379 -0.242 20 0 FBADRM COCCc1noc(CN(C)C(=O)NCCN2CCN(C(=O)[O-])CC2)n1 ZINC000829024097 604133309 /nfs/dbraw/zinc/13/33/09/604133309.db2.gz JUOHTFOLKIFVTJ-UHFFFAOYSA-N -1 0 370.410 -0.305 20 0 FBADRM COCCc1noc(CN(C)C(=O)CN2CCN(C(=O)[O-])CC2=O)n1 ZINC000829024182 604275668 /nfs/dbraw/zinc/27/56/68/604275668.db2.gz KSSFCVKANOLNKP-UHFFFAOYSA-N -1 0 355.351 -0.961 20 0 FBADRM COCCc1cc(NC(=O)C(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)n(C)n1 ZINC000829024235 605500223 /nfs/dbraw/zinc/50/02/23/605500223.db2.gz MCSMWXZNGOILES-JTQLQIEISA-N -1 0 353.379 -0.242 20 0 FBADRM COCCc1cc(NC(=O)C(=O)N2CCN(C(=O)[O-])[C@H](C)C2)n(C)n1 ZINC000829024236 605500793 /nfs/dbraw/zinc/50/07/93/605500793.db2.gz MCSMWXZNGOILES-SNVBAGLBSA-N -1 0 353.379 -0.242 20 0 FBADRM COCCc1cc(NC(=O)C(=O)N2CCN(C(=O)[O-])C[C@@H]2C)n(C)n1 ZINC000829024309 605497245 /nfs/dbraw/zinc/49/72/45/605497245.db2.gz NRVSKZSNNBJRIH-JTQLQIEISA-N -1 0 353.379 -0.242 20 0 FBADRM COCCc1cc(NC(=O)C(=O)N2CCN(C(=O)[O-])C[C@H]2C)n(C)n1 ZINC000829024310 605497386 /nfs/dbraw/zinc/49/73/86/605497386.db2.gz NRVSKZSNNBJRIH-SNVBAGLBSA-N -1 0 353.379 -0.242 20 0 FBADRM COCCc1cc(NC(=O)C(=O)N2CCC[C@@H](NC(=O)[O-])C2)n(C)n1 ZINC000829024342 605493491 /nfs/dbraw/zinc/49/34/91/605493491.db2.gz OQJJAKYLFXKFDC-LLVKDONJSA-N -1 0 353.379 -0.194 20 0 FBADRM COCCc1cc(NC(=O)C(=O)N2CCC[C@H](NC(=O)[O-])C2)n(C)n1 ZINC000829024343 605493428 /nfs/dbraw/zinc/49/34/28/605493428.db2.gz OQJJAKYLFXKFDC-NSHDSACASA-N -1 0 353.379 -0.194 20 0 FBADRM COCCc1cc(NC(=O)C(=O)NC2CCN(C(=O)[O-])CC2)n(C)n1 ZINC000829024480 605500632 /nfs/dbraw/zinc/50/06/32/605500632.db2.gz SSTPCYMLYZWFKN-UHFFFAOYSA-N -1 0 353.379 -0.194 20 0 FBADRM COCCc1cc(NC(=O)C(=O)N2CCC[C@@H]2CNC(=O)[O-])n(C)n1 ZINC000829024500 605500276 /nfs/dbraw/zinc/50/02/76/605500276.db2.gz UCISNXZJOOJATJ-LLVKDONJSA-N -1 0 353.379 -0.194 20 0 FBADRM COCCc1cc(NC(=O)C(=O)N2CCC[C@H]2CNC(=O)[O-])n(C)n1 ZINC000829024501 605500619 /nfs/dbraw/zinc/50/06/19/605500619.db2.gz UCISNXZJOOJATJ-NSHDSACASA-N -1 0 353.379 -0.194 20 0 FBADRM COCCc1cc(NC(=O)C(=O)N2CCC(NC(=O)[O-])CC2)n(C)n1 ZINC000829024526 605489897 /nfs/dbraw/zinc/48/98/97/605489897.db2.gz UMNHFBAUJTVQIH-UHFFFAOYSA-N -1 0 353.379 -0.194 20 0 FBADRM COCCc1cc(NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)n(C)n1 ZINC000829024694 605552224 /nfs/dbraw/zinc/55/22/24/605552224.db2.gz YVKLZCRCXWDICE-UHFFFAOYSA-N -1 0 368.394 -0.447 20 0 FBADRM COCCc1cc(NC(=O)C(=O)N2CCCN(C(=O)[O-])CC2)n(C)n1 ZINC000829024734 605493375 /nfs/dbraw/zinc/49/33/75/605493375.db2.gz ZWPNBZNYEOXARJ-UHFFFAOYSA-N -1 0 353.379 -0.240 20 0 FBADRM COCCn1ccc(NC(=O)C(=O)NC[C@H]2CCCN(C(=O)[O-])C2)n1 ZINC000829029659 604143987 /nfs/dbraw/zinc/14/39/87/604143987.db2.gz APIYEPXWOXVBDP-LLVKDONJSA-N -1 0 353.379 -0.026 20 0 FBADRM COCCn1ccc(NC(=O)C(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)n1 ZINC000829029661 604143966 /nfs/dbraw/zinc/14/39/66/604143966.db2.gz APIYEPXWOXVBDP-NSHDSACASA-N -1 0 353.379 -0.026 20 0 FBADRM COCCn1ccc(NC(=O)C(=O)N2CCC[C@H](CNC(=O)[O-])C2)n1 ZINC000829029677 604148109 /nfs/dbraw/zinc/14/81/09/604148109.db2.gz ARXFTYOODCBJEI-LLVKDONJSA-N -1 0 353.379 -0.026 20 0 FBADRM COCCn1ccc(NC(=O)C(=O)N2CCC[C@@H](CNC(=O)[O-])C2)n1 ZINC000829029678 604147957 /nfs/dbraw/zinc/14/79/57/604147957.db2.gz ARXFTYOODCBJEI-NSHDSACASA-N -1 0 353.379 -0.026 20 0 FBADRM COCCn1cc(C(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)ccc1=O ZINC000829029687 604672612 /nfs/dbraw/zinc/67/26/12/604672612.db2.gz AUWWTQWDCWPEHY-AAEUAGOBSA-N -1 0 353.375 -0.008 20 0 FBADRM COCCn1cc(C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)ccc1=O ZINC000829029688 604672617 /nfs/dbraw/zinc/67/26/17/604672617.db2.gz AUWWTQWDCWPEHY-DGCLKSJQSA-N -1 0 353.375 -0.008 20 0 FBADRM COCCn1cc(C(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)ccc1=O ZINC000829029690 604672680 /nfs/dbraw/zinc/67/26/80/604672680.db2.gz AUWWTQWDCWPEHY-WCQYABFASA-N -1 0 353.375 -0.008 20 0 FBADRM COCCn1cc(C(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)ccc1=O ZINC000829029691 604672886 /nfs/dbraw/zinc/67/28/86/604672886.db2.gz AUWWTQWDCWPEHY-YPMHNXCESA-N -1 0 353.375 -0.008 20 0 FBADRM COCCn1ccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)n1 ZINC000829029694 604148221 /nfs/dbraw/zinc/14/82/21/604148221.db2.gz AVSRDJQTGGRCIT-GHMZBOCLSA-N -1 0 353.379 -0.027 20 0 FBADRM COCCn1ccc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)n1 ZINC000829029696 604148086 /nfs/dbraw/zinc/14/80/86/604148086.db2.gz AVSRDJQTGGRCIT-MNOVXSKESA-N -1 0 353.379 -0.027 20 0 FBADRM COCCn1ccc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)n1 ZINC000829029698 604148139 /nfs/dbraw/zinc/14/81/39/604148139.db2.gz AVSRDJQTGGRCIT-QWRGUYRKSA-N -1 0 353.379 -0.027 20 0 FBADRM COCCn1ccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)n1 ZINC000829029700 604148022 /nfs/dbraw/zinc/14/80/22/604148022.db2.gz AVSRDJQTGGRCIT-WDEREUQCSA-N -1 0 353.379 -0.027 20 0 FBADRM COCCn1c(N)c(C(=O)CN2CC[C@@H](N(C)C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000829029719 603850242 /nfs/dbraw/zinc/85/02/42/603850242.db2.gz BBJBJQKGFPVDGQ-SECBINFHSA-N -1 0 369.378 -0.956 20 0 FBADRM COCCn1c(N)c(C(=O)CN2CC[C@H](N(C)C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000829029721 603850513 /nfs/dbraw/zinc/85/05/13/603850513.db2.gz BBJBJQKGFPVDGQ-VIFPVBQESA-N -1 0 369.378 -0.956 20 0 FBADRM COCCn1ccc(NC(=O)C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)n1 ZINC000829029844 604748618 /nfs/dbraw/zinc/74/86/18/604748618.db2.gz DHKUPCJVSXRYFI-GHMZBOCLSA-N -1 0 369.378 -0.649 20 0 FBADRM COCCn1ccc(NC(=O)C(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)n1 ZINC000829029845 604748586 /nfs/dbraw/zinc/74/85/86/604748586.db2.gz DHKUPCJVSXRYFI-MNOVXSKESA-N -1 0 369.378 -0.649 20 0 FBADRM COCCn1ccc(NC(=O)C(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)n1 ZINC000829029846 604748458 /nfs/dbraw/zinc/74/84/58/604748458.db2.gz DHKUPCJVSXRYFI-QWRGUYRKSA-N -1 0 369.378 -0.649 20 0 FBADRM COCCn1ccc(NC(=O)C(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)n1 ZINC000829029847 604748425 /nfs/dbraw/zinc/74/84/25/604748425.db2.gz DHKUPCJVSXRYFI-WDEREUQCSA-N -1 0 369.378 -0.649 20 0 FBADRM COCCc1noc(CN(C)CN2C[C@H]3CN(C(=O)[O-])CCN3C2=O)n1 ZINC000829029924 604028309 /nfs/dbraw/zinc/02/83/09/604028309.db2.gz GBXKAIXEJIMHSZ-LLVKDONJSA-N -1 0 368.394 -0.252 20 0 FBADRM COCCc1noc(CN(C)CN2C[C@@H]3CN(C(=O)[O-])CCN3C2=O)n1 ZINC000829029925 604028282 /nfs/dbraw/zinc/02/82/82/604028282.db2.gz GBXKAIXEJIMHSZ-NSHDSACASA-N -1 0 368.394 -0.252 20 0 FBADRM COCCn1ccc(NC(=O)C(=O)N2CCC(CNC(=O)[O-])CC2)n1 ZINC000829029940 604144323 /nfs/dbraw/zinc/14/43/23/604144323.db2.gz GIDOMQKQRGWSJQ-UHFFFAOYSA-N -1 0 353.379 -0.026 20 0 FBADRM COCCn1cc(C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])ccc1=O ZINC000829030015 604411316 /nfs/dbraw/zinc/41/13/16/604411316.db2.gz GYBGRMWBOSIHTH-CYBMUJFWSA-N -1 0 352.391 -0.482 20 0 FBADRM COCCn1cc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])ccc1=O ZINC000829030017 604411177 /nfs/dbraw/zinc/41/11/77/604411177.db2.gz GYBGRMWBOSIHTH-ZDUSSCGKSA-N -1 0 352.391 -0.482 20 0 FBADRM COCCn1c(N)c(C(=O)CN2CCC[C@@H]2CNC(=O)[O-])c(=O)[nH]c1=O ZINC000829030074 603574598 /nfs/dbraw/zinc/57/45/98/603574598.db2.gz HOBMAOSYEAKEHI-SECBINFHSA-N -1 0 369.378 -0.908 20 0 FBADRM COCCn1c(N)c(C(=O)CN2CCC[C@H]2CNC(=O)[O-])c(=O)[nH]c1=O ZINC000829030075 603574966 /nfs/dbraw/zinc/57/49/66/603574966.db2.gz HOBMAOSYEAKEHI-VIFPVBQESA-N -1 0 369.378 -0.908 20 0 FBADRM COCCn1ccc(NC(=O)C(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)n1 ZINC000829030092 604146641 /nfs/dbraw/zinc/14/66/41/604146641.db2.gz HZNHMZUWXZFJHP-LLVKDONJSA-N -1 0 353.379 -0.074 20 0 FBADRM COCCn1ccc(NC(=O)C(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)n1 ZINC000829030093 604146789 /nfs/dbraw/zinc/14/67/89/604146789.db2.gz HZNHMZUWXZFJHP-NSHDSACASA-N -1 0 353.379 -0.074 20 0 FBADRM COCCn1cc(NC(=O)C(=O)N2CCC[C@H](CNC(=O)[O-])C2)cn1 ZINC000829030331 603756254 /nfs/dbraw/zinc/75/62/54/603756254.db2.gz KTLVZDNWSYCQNW-LLVKDONJSA-N -1 0 353.379 -0.026 20 0 FBADRM COCCn1cc(NC(=O)C(=O)N2CCC[C@@H](CNC(=O)[O-])C2)cn1 ZINC000829030332 603756731 /nfs/dbraw/zinc/75/67/31/603756731.db2.gz KTLVZDNWSYCQNW-NSHDSACASA-N -1 0 353.379 -0.026 20 0 FBADRM COCCn1ccc(NC(=O)C(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)n1 ZINC000829030355 604146509 /nfs/dbraw/zinc/14/65/09/604146509.db2.gz LFIJRTKETOLNCB-LLVKDONJSA-N -1 0 353.379 -0.026 20 0 FBADRM COCCn1ccc(NC(=O)C(=O)NCC[C@H]2CCN(C(=O)[O-])C2)n1 ZINC000829030357 604146649 /nfs/dbraw/zinc/14/66/49/604146649.db2.gz LFIJRTKETOLNCB-NSHDSACASA-N -1 0 353.379 -0.026 20 0 FBADRM COCCn1c(N)c(C(=O)CN(C)[C@@H]2CCN(C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000829030441 603533182 /nfs/dbraw/zinc/53/31/82/603533182.db2.gz MLLXKDAMVKOJTA-SECBINFHSA-N -1 0 369.378 -0.956 20 0 FBADRM COCCn1c(N)c(C(=O)CN(C)[C@H]2CCN(C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000829030442 603532404 /nfs/dbraw/zinc/53/24/04/603532404.db2.gz MLLXKDAMVKOJTA-VIFPVBQESA-N -1 0 369.378 -0.956 20 0 FBADRM COCCn1ccc(NC(=O)C(=O)NCC2CCN(C(=O)[O-])CC2)n1 ZINC000829030734 604144478 /nfs/dbraw/zinc/14/44/78/604144478.db2.gz QTQCOFWOAAKVCG-UHFFFAOYSA-N -1 0 353.379 -0.026 20 0 FBADRM COCCc1noc(CN(C)CN2CC3(CN(C(=O)[O-])C3)CC2=O)n1 ZINC000829030886 604028612 /nfs/dbraw/zinc/02/86/12/604028612.db2.gz UAORLHWAGVQNJB-UHFFFAOYSA-N -1 0 353.379 -0.140 20 0 FBADRM COCCn1cc(NC(=O)C(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)cn1 ZINC000829031023 604748612 /nfs/dbraw/zinc/74/86/12/604748612.db2.gz USGZLULMOOQLCI-CMPLNLGQSA-N -1 0 369.378 -0.649 20 0 FBADRM COCCn1cc(NC(=O)C(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)cn1 ZINC000829031024 604748602 /nfs/dbraw/zinc/74/86/02/604748602.db2.gz USGZLULMOOQLCI-JQWIXIFHSA-N -1 0 369.378 -0.649 20 0 FBADRM COCCn1cc(NC(=O)C(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)cn1 ZINC000829031025 604748488 /nfs/dbraw/zinc/74/84/88/604748488.db2.gz USGZLULMOOQLCI-PWSUYJOCSA-N -1 0 369.378 -0.649 20 0 FBADRM COCCn1cc(NC(=O)C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)cn1 ZINC000829031026 604748467 /nfs/dbraw/zinc/74/84/67/604748467.db2.gz USGZLULMOOQLCI-ZYHUDNBSSA-N -1 0 369.378 -0.649 20 0 FBADRM COCCn1nc(C)c(NC(=O)CN2CCN(C(=O)[O-])CC2=O)c1C ZINC000829036096 604251578 /nfs/dbraw/zinc/25/15/78/604251578.db2.gz QJOQYAKCIVNYJO-UHFFFAOYSA-N -1 0 353.379 -0.093 20 0 FBADRM COCc1cc(C(=O)Nc2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)no1 ZINC000829036231 603961564 /nfs/dbraw/zinc/96/15/64/603961564.db2.gz SBAVQNZOQBBYCP-UHFFFAOYSA-N -1 0 351.323 -0.009 20 0 FBADRM COCCn1nc(C(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)ccc1=O ZINC000829036302 604734103 /nfs/dbraw/zinc/73/41/03/604734103.db2.gz SRVVASWYBUNERE-CMPLNLGQSA-N -1 0 354.363 -0.613 20 0 FBADRM COCCn1nc(C(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)ccc1=O ZINC000829036303 604734203 /nfs/dbraw/zinc/73/42/03/604734203.db2.gz SRVVASWYBUNERE-JQWIXIFHSA-N -1 0 354.363 -0.613 20 0 FBADRM COCCn1nc(C(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)ccc1=O ZINC000829036304 604733960 /nfs/dbraw/zinc/73/39/60/604733960.db2.gz SRVVASWYBUNERE-PWSUYJOCSA-N -1 0 354.363 -0.613 20 0 FBADRM COCCn1nc(C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)ccc1=O ZINC000829036305 604733908 /nfs/dbraw/zinc/73/39/08/604733908.db2.gz SRVVASWYBUNERE-ZYHUDNBSSA-N -1 0 354.363 -0.613 20 0 FBADRM CC[C@]1(C)NC(=O)N(CC(=O)OCCc2cn(CC(=O)[O-])nn2)C1=O ZINC000829050053 604833189 /nfs/dbraw/zinc/83/31/89/604833189.db2.gz KLXKLZVJZGJEDP-AWEZNQCLSA-N -1 0 353.335 -0.831 20 0 FBADRM CC[C@@]1(C)NC(=O)N(CC(=O)OCCc2cn(CC(=O)[O-])nn2)C1=O ZINC000829050054 604833104 /nfs/dbraw/zinc/83/31/04/604833104.db2.gz KLXKLZVJZGJEDP-CQSZACIVSA-N -1 0 353.335 -0.831 20 0 FBADRM COCc1nc2n(n1)CCC[C@@H]2NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000829050162 604588248 /nfs/dbraw/zinc/58/82/48/604588248.db2.gz OOERUJQUUFDGPT-JTQLQIEISA-N -1 0 366.378 -0.802 20 0 FBADRM COCc1nc2n(n1)CCC[C@H]2NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000829050172 604588113 /nfs/dbraw/zinc/58/81/13/604588113.db2.gz OOERUJQUUFDGPT-SNVBAGLBSA-N -1 0 366.378 -0.802 20 0 FBADRM COCc1nc2n(n1)C[C@H](NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000829051156 604293400 /nfs/dbraw/zinc/29/34/00/604293400.db2.gz YWLMVRIMRQIQII-GHMZBOCLSA-N -1 0 353.379 -0.376 20 0 FBADRM COCc1nc2n(n1)C[C@H](NC(=O)C[C@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000829051161 604293411 /nfs/dbraw/zinc/29/34/11/604293411.db2.gz YWLMVRIMRQIQII-MNOVXSKESA-N -1 0 353.379 -0.376 20 0 FBADRM COCc1nc2n(n1)C[C@@H](NC(=O)C[C@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000829051164 604293455 /nfs/dbraw/zinc/29/34/55/604293455.db2.gz YWLMVRIMRQIQII-QWRGUYRKSA-N -1 0 353.379 -0.376 20 0 FBADRM COCc1nc2n(n1)C[C@@H](NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000829051166 604293349 /nfs/dbraw/zinc/29/33/49/604293349.db2.gz YWLMVRIMRQIQII-WDEREUQCSA-N -1 0 353.379 -0.376 20 0 FBADRM COCc1nn(CN2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)c(=O)o1 ZINC000829054598 604349228 /nfs/dbraw/zinc/34/92/28/604349228.db2.gz FKXJISWUDJJDQJ-JTQLQIEISA-N -1 0 357.367 -0.964 20 0 FBADRM COCc1nn(CN2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)c(=O)o1 ZINC000829054599 604348913 /nfs/dbraw/zinc/34/89/13/604348913.db2.gz FKXJISWUDJJDQJ-SNVBAGLBSA-N -1 0 357.367 -0.964 20 0 FBADRM CON(C)C(=O)c1ccc(NC(=O)C(=O)NCCN(C)C(=O)[O-])cc1 ZINC000829055532 603724636 /nfs/dbraw/zinc/72/46/36/603724636.db2.gz MQXKBYXPBUGSCD-UHFFFAOYSA-N -1 0 352.347 -0.016 20 0 FBADRM COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NCCNC(=O)[O-] ZINC000829076396 603719349 /nfs/dbraw/zinc/71/93/49/603719349.db2.gz DLTJJGFWCNHFSV-UHFFFAOYSA-N -1 0 352.347 -0.281 20 0 FBADRM COc1cc(C)nc(N2CCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)CC2)n1 ZINC000829101580 604841055 /nfs/dbraw/zinc/84/10/55/604841055.db2.gz JVKSMBATPGIAST-GFCCVEGCSA-N -1 0 365.390 -0.179 20 0 FBADRM COc1cc(C)nc(N2CCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)CC2)n1 ZINC000829101590 604841079 /nfs/dbraw/zinc/84/10/79/604841079.db2.gz JVKSMBATPGIAST-LBPRGKRZSA-N -1 0 365.390 -0.179 20 0 FBADRM COc1cc(C)nc(N2CCN(C(=O)COC3CN(C(=O)[O-])C3)CC2)n1 ZINC000829101912 604001581 /nfs/dbraw/zinc/00/15/81/604001581.db2.gz OCIITKGRDMWZJF-UHFFFAOYSA-N -1 0 365.390 -0.179 20 0 FBADRM COc1cc(C)nc(N2CCN(C(=O)NC3CN(C(=O)[O-])C3)CC2)n1 ZINC000829102265 604623249 /nfs/dbraw/zinc/62/32/49/604623249.db2.gz VZRFHUYRQDJWOX-UHFFFAOYSA-N -1 0 350.379 -0.013 20 0 FBADRM COc1cc(C)nc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])CC2)n1 ZINC000829102428 603760284 /nfs/dbraw/zinc/76/02/84/603760284.db2.gz XYLHLCZFLCMBPB-NEPJUHHUSA-N -1 0 365.390 -0.445 20 0 FBADRM COc1cc(C)nc(N2CCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])CC2)n1 ZINC000829102429 603760345 /nfs/dbraw/zinc/76/03/45/603760345.db2.gz XYLHLCZFLCMBPB-NWDGAFQWSA-N -1 0 365.390 -0.445 20 0 FBADRM COc1cc(C)nc(N2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])CC2)n1 ZINC000829102430 603760200 /nfs/dbraw/zinc/76/02/00/603760200.db2.gz XYLHLCZFLCMBPB-RYUDHWBXSA-N -1 0 365.390 -0.445 20 0 FBADRM COc1cc(C)nc(N2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])CC2)n1 ZINC000829102431 603760039 /nfs/dbraw/zinc/76/00/39/603760039.db2.gz XYLHLCZFLCMBPB-VXGBXAGGSA-N -1 0 365.390 -0.445 20 0 FBADRM COc1cc(C)nc(N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)n1 ZINC000829102438 604047744 /nfs/dbraw/zinc/04/77/44/604047744.db2.gz YKCBIGCBOLFJBM-UHFFFAOYSA-N -1 0 371.419 -0.392 20 0 FBADRM COc1cc(CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)ccc1OCC(N)=O ZINC000829115016 604718479 /nfs/dbraw/zinc/71/84/79/604718479.db2.gz FBRRKOMUHKLORB-CYBMUJFWSA-N -1 0 367.358 -0.446 20 0 FBADRM COc1cc(CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)ccc1OCC(N)=O ZINC000829115017 604718573 /nfs/dbraw/zinc/71/85/73/604718573.db2.gz FBRRKOMUHKLORB-ZDUSSCGKSA-N -1 0 367.358 -0.446 20 0 FBADRM O=C([O-])c1ccccc1CS(=O)(=O)NCCN1CCCS1(=O)=O ZINC000829115580 661131319 /nfs/dbraw/zinc/13/13/19/661131319.db2.gz IKTHYLBHUWFTEC-UHFFFAOYSA-N -1 0 362.429 -0.160 20 0 FBADRM COc1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])ccc1OCCO ZINC000829115619 603670825 /nfs/dbraw/zinc/67/08/25/603670825.db2.gz OHDUFTPYVJBIDI-NEPJUHHUSA-N -1 0 354.359 -0.204 20 0 FBADRM COc1cc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])ccc1OCCO ZINC000829115622 603670950 /nfs/dbraw/zinc/67/09/50/603670950.db2.gz OHDUFTPYVJBIDI-NWDGAFQWSA-N -1 0 354.359 -0.204 20 0 FBADRM COc1cc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])ccc1OCCO ZINC000829115625 603670891 /nfs/dbraw/zinc/67/08/91/603670891.db2.gz OHDUFTPYVJBIDI-RYUDHWBXSA-N -1 0 354.359 -0.204 20 0 FBADRM COc1cc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])ccc1OCCO ZINC000829115628 603671085 /nfs/dbraw/zinc/67/10/85/603671085.db2.gz OHDUFTPYVJBIDI-VXGBXAGGSA-N -1 0 354.359 -0.204 20 0 FBADRM COc1cc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])ccc1OCC(N)=O ZINC000829116831 603665455 /nfs/dbraw/zinc/66/54/55/603665455.db2.gz YXNSDQFSTREPBZ-GHMZBOCLSA-N -1 0 367.358 -0.711 20 0 FBADRM COc1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])ccc1OCC(N)=O ZINC000829116833 603665516 /nfs/dbraw/zinc/66/55/16/603665516.db2.gz YXNSDQFSTREPBZ-MNOVXSKESA-N -1 0 367.358 -0.711 20 0 FBADRM COc1cc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])ccc1OCC(N)=O ZINC000829116834 603665756 /nfs/dbraw/zinc/66/57/56/603665756.db2.gz YXNSDQFSTREPBZ-QWRGUYRKSA-N -1 0 367.358 -0.711 20 0 FBADRM COc1cc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])ccc1OCC(N)=O ZINC000829116835 603665237 /nfs/dbraw/zinc/66/52/37/603665237.db2.gz YXNSDQFSTREPBZ-WDEREUQCSA-N -1 0 367.358 -0.711 20 0 FBADRM COc1cc(CNC(=O)NC2CN(C(=O)[O-])C2)ccc1OCC(N)=O ZINC000829124459 604573030 /nfs/dbraw/zinc/57/30/30/604573030.db2.gz HMRCBBAXIKDISL-UHFFFAOYSA-N -1 0 352.347 -0.279 20 0 FBADRM O=C([O-])CCCCCS(=O)(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000829143677 661131494 /nfs/dbraw/zinc/13/14/94/661131494.db2.gz XKPWGURAGVABKG-UHFFFAOYSA-N -1 0 372.465 -0.787 20 0 FBADRM COc1cc(NC(=O)C(=O)N2CCO[C@H](CO)C2)ccc1NC(=O)[O-] ZINC000829146580 604075248 /nfs/dbraw/zinc/07/52/48/604075248.db2.gz IBJDCFSBECQLCS-JTQLQIEISA-N -1 0 353.331 -0.057 20 0 FBADRM COc1cc(NC(=O)C(=O)N2CCO[C@@H](CO)C2)ccc1NC(=O)[O-] ZINC000829146581 604074798 /nfs/dbraw/zinc/07/47/98/604074798.db2.gz IBJDCFSBECQLCS-SNVBAGLBSA-N -1 0 353.331 -0.057 20 0 FBADRM COc1cc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)ccc1NC(=O)[O-] ZINC000829146597 603722116 /nfs/dbraw/zinc/72/21/16/603722116.db2.gz IMXPYDABRFDXGQ-AOOOYVTPSA-N -1 0 353.331 -0.322 20 0 FBADRM COc1cc(NC(=O)C(=O)NCCS(N)(=O)=O)ccc1NC(=O)[O-] ZINC000829147016 604176027 /nfs/dbraw/zinc/17/60/27/604176027.db2.gz LIGMKDUTWDMLEP-UHFFFAOYSA-N -1 0 360.348 -0.872 20 0 FBADRM CC[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CCN1CCOC ZINC000829150454 600752006 /nfs/dbraw/zinc/75/20/06/600752006.db2.gz NRVFNHYHOHGQFY-GFCCVEGCSA-N -1 0 360.436 -0.301 20 0 FBADRM CC[C@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CCN1CCOC ZINC000829150455 600752025 /nfs/dbraw/zinc/75/20/25/600752025.db2.gz NRVFNHYHOHGQFY-LBPRGKRZSA-N -1 0 360.436 -0.301 20 0 FBADRM CC[C@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@H]1N1CCOCC1 ZINC000829150476 604360690 /nfs/dbraw/zinc/36/06/90/604360690.db2.gz OHRACWNKULCBNP-GXTWGEPZSA-N -1 0 372.447 -0.301 20 0 FBADRM CC[C@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@@H]1N1CCOCC1 ZINC000829150477 604360467 /nfs/dbraw/zinc/36/04/67/604360467.db2.gz OHRACWNKULCBNP-JSGCOSHPSA-N -1 0 372.447 -0.301 20 0 FBADRM CC[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@@H]1N1CCOCC1 ZINC000829150478 604360529 /nfs/dbraw/zinc/36/05/29/604360529.db2.gz OHRACWNKULCBNP-OCCSQVGLSA-N -1 0 372.447 -0.301 20 0 FBADRM CC[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@H]1N1CCOCC1 ZINC000829150479 604360384 /nfs/dbraw/zinc/36/03/84/604360384.db2.gz OHRACWNKULCBNP-TZMCWYRMSA-N -1 0 372.447 -0.301 20 0 FBADRM CC[C@@H]1CN(CCn2cccn2)CCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000829150928 601287921 /nfs/dbraw/zinc/28/79/21/601287921.db2.gz PAERCFUIFVUQIW-CYBMUJFWSA-N -1 0 361.406 -0.204 20 0 FBADRM CC[C@H]1CN(CCn2cccn2)CCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000829150929 601288143 /nfs/dbraw/zinc/28/81/43/601288143.db2.gz PAERCFUIFVUQIW-ZDUSSCGKSA-N -1 0 361.406 -0.204 20 0 FBADRM CC[C@H]1CN(CCn2cccn2)CCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000829151550 601262857 /nfs/dbraw/zinc/26/28/57/601262857.db2.gz SSJUDKDNABKYFI-AWEZNQCLSA-N -1 0 373.479 -0.069 20 0 FBADRM CC[C@@H]1CN(CCn2cccn2)CCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000829151557 601262868 /nfs/dbraw/zinc/26/28/68/601262868.db2.gz SSJUDKDNABKYFI-CQSZACIVSA-N -1 0 373.479 -0.069 20 0 FBADRM COc1cc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)ccc1NC(N)=O ZINC000829153471 604929874 /nfs/dbraw/zinc/92/98/74/604929874.db2.gz FHQCZHYPEMVLAI-UHFFFAOYSA-N -1 0 365.346 -0.054 20 0 FBADRM COc1cc(NC(=O)CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc(OC)c1 ZINC000829154013 603825780 /nfs/dbraw/zinc/82/57/80/603825780.db2.gz SGTBSQBFYPNUGI-GWCFXTLKSA-N -1 0 367.358 -0.128 20 0 FBADRM COc1cc(NC(=O)CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc(OC)c1 ZINC000829154015 603825910 /nfs/dbraw/zinc/82/59/10/603825910.db2.gz SGTBSQBFYPNUGI-GXFFZTMASA-N -1 0 367.358 -0.128 20 0 FBADRM COc1cc(NC(=O)CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc(OC)c1 ZINC000829154017 603825875 /nfs/dbraw/zinc/82/58/75/603825875.db2.gz SGTBSQBFYPNUGI-MFKMUULPSA-N -1 0 367.358 -0.128 20 0 FBADRM COc1cc(NC(=O)CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc(OC)c1 ZINC000829154019 603825788 /nfs/dbraw/zinc/82/57/88/603825788.db2.gz SGTBSQBFYPNUGI-ZWNOBZJWSA-N -1 0 367.358 -0.128 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NS(=O)(=O)CCCC(=O)[O-] ZINC000829160143 602213005 /nfs/dbraw/zinc/21/30/05/602213005.db2.gz DQGINUKQUQGHRO-GHMZBOCLSA-N -1 0 356.466 -0.169 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NS(=O)(=O)CCCC(=O)[O-] ZINC000829160144 602212951 /nfs/dbraw/zinc/21/29/51/602212951.db2.gz DQGINUKQUQGHRO-MNOVXSKESA-N -1 0 356.466 -0.169 20 0 FBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NS(=O)(=O)CCCC(=O)[O-] ZINC000829160145 602212885 /nfs/dbraw/zinc/21/28/85/602212885.db2.gz DQGINUKQUQGHRO-QWRGUYRKSA-N -1 0 356.466 -0.169 20 0 FBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NS(=O)(=O)CCCC(=O)[O-] ZINC000829160146 602212854 /nfs/dbraw/zinc/21/28/54/602212854.db2.gz DQGINUKQUQGHRO-WDEREUQCSA-N -1 0 356.466 -0.169 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000829161062 604323742 /nfs/dbraw/zinc/32/37/42/604323742.db2.gz MMCMMZQNQFBIRW-NXEZZACHSA-N -1 0 359.408 -0.847 20 0 FBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000829161063 604323755 /nfs/dbraw/zinc/32/37/55/604323755.db2.gz MMCMMZQNQFBIRW-UWVGGRQHSA-N -1 0 359.408 -0.847 20 0 FBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000829161064 604323923 /nfs/dbraw/zinc/32/39/23/604323923.db2.gz MMCMMZQNQFBIRW-VHSXEESVSA-N -1 0 359.408 -0.847 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000829161065 604323804 /nfs/dbraw/zinc/32/38/04/604323804.db2.gz MMCMMZQNQFBIRW-ZJUUUORDSA-N -1 0 359.408 -0.847 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000829162863 602212924 /nfs/dbraw/zinc/21/29/24/602212924.db2.gz UQFJMTAFJOBJQD-GHMZBOCLSA-N -1 0 371.481 -0.713 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000829162866 602212737 /nfs/dbraw/zinc/21/27/37/602212737.db2.gz UQFJMTAFJOBJQD-MNOVXSKESA-N -1 0 371.481 -0.713 20 0 FBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000829162868 602212996 /nfs/dbraw/zinc/21/29/96/602212996.db2.gz UQFJMTAFJOBJQD-QWRGUYRKSA-N -1 0 371.481 -0.713 20 0 FBADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000829162870 602212903 /nfs/dbraw/zinc/21/29/03/602212903.db2.gz UQFJMTAFJOBJQD-WDEREUQCSA-N -1 0 371.481 -0.713 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000829163251 602213001 /nfs/dbraw/zinc/21/30/01/602213001.db2.gz VYXINFMZZAOBJP-AXFHLTTASA-N -1 0 356.466 -0.313 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000829163252 602212912 /nfs/dbraw/zinc/21/29/12/602212912.db2.gz VYXINFMZZAOBJP-GMTAPVOTSA-N -1 0 356.466 -0.313 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000829163254 602212760 /nfs/dbraw/zinc/21/27/60/602212760.db2.gz VYXINFMZZAOBJP-HBNTYKKESA-N -1 0 356.466 -0.313 20 0 FBADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000829163257 602212830 /nfs/dbraw/zinc/21/28/30/602212830.db2.gz VYXINFMZZAOBJP-MXWKQRLJSA-N -1 0 356.466 -0.313 20 0 FBADRM COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)CNC(=O)[O-])c1 ZINC000829210471 603786814 /nfs/dbraw/zinc/78/68/14/603786814.db2.gz DQFPJLPDZSVTFZ-UHFFFAOYSA-N -1 0 350.335 -0.095 20 0 FBADRM COc1cc(OC)cc([C@H](O)CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000829210681 604887378 /nfs/dbraw/zinc/88/73/78/604887378.db2.gz GYQWRKDIEOCKQH-DDTOSNHZSA-N -1 0 354.359 -0.033 20 0 FBADRM COc1cc(OC)cc([C@H](O)CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000829210682 604887472 /nfs/dbraw/zinc/88/74/72/604887472.db2.gz GYQWRKDIEOCKQH-LERXQTSPSA-N -1 0 354.359 -0.033 20 0 FBADRM COc1cc(OC)cc([C@H](O)CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000829210683 604887465 /nfs/dbraw/zinc/88/74/65/604887465.db2.gz GYQWRKDIEOCKQH-LEWSCRJBSA-N -1 0 354.359 -0.033 20 0 FBADRM COc1cc(OC)cc([C@H](O)CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000829210684 604887638 /nfs/dbraw/zinc/88/76/38/604887638.db2.gz GYQWRKDIEOCKQH-ZLKJLUDKSA-N -1 0 354.359 -0.033 20 0 FBADRM CCS(=O)(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)[O-])O2 ZINC000829212590 661131707 /nfs/dbraw/zinc/13/17/07/661131707.db2.gz XVHASSFNHMDKLF-GFCCVEGCSA-N -1 0 363.413 -0.212 20 0 FBADRM CCS(=O)(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)[O-])O2 ZINC000829212593 661131649 /nfs/dbraw/zinc/13/16/49/661131649.db2.gz XVHASSFNHMDKLF-LBPRGKRZSA-N -1 0 363.413 -0.212 20 0 FBADRM COc1cc2c(nn1)CCN(C(=O)NCCN1CCN(C(=O)[O-])CC1)C2 ZINC000829224954 604282428 /nfs/dbraw/zinc/28/24/28/604282428.db2.gz MNOMGNCRAGBJAS-UHFFFAOYSA-N -1 0 364.406 -0.152 20 0 FBADRM COc1ccc(C(=O)NC(=O)COC(=O)COC2CN(C(=O)[O-])C2)cc1 ZINC000829275886 603449859 /nfs/dbraw/zinc/44/98/59/603449859.db2.gz FBGKBJZIYPJOEB-UHFFFAOYSA-N -1 0 366.326 -0.126 20 0 FBADRM COc1ccc(C(=O)NC(=O)COC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000829277207 605199512 /nfs/dbraw/zinc/19/95/12/605199512.db2.gz OSAHWMBLLSTXAF-GFCCVEGCSA-N -1 0 366.326 -0.126 20 0 FBADRM COc1ccc(C(=O)NC(=O)COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000829277208 605199492 /nfs/dbraw/zinc/19/94/92/605199492.db2.gz OSAHWMBLLSTXAF-LBPRGKRZSA-N -1 0 366.326 -0.126 20 0 FBADRM COc1ccc(C(=O)NC(=O)COC(=O)[C@H]2COCCN2C(=O)[O-])cc1 ZINC000829277470 603894833 /nfs/dbraw/zinc/89/48/33/603894833.db2.gz SHEZCHLGVUQCGK-GFCCVEGCSA-N -1 0 366.326 -0.126 20 0 FBADRM COc1ccc(C(=O)NC(=O)COC(=O)[C@@H]2COCCN2C(=O)[O-])cc1 ZINC000829277471 603895277 /nfs/dbraw/zinc/89/52/77/603895277.db2.gz SHEZCHLGVUQCGK-LBPRGKRZSA-N -1 0 366.326 -0.126 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])oc1CC ZINC000829277911 661132442 /nfs/dbraw/zinc/13/24/42/661132442.db2.gz BQVSOQFRVMVUDD-UHFFFAOYSA-N -1 0 354.406 -0.242 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC000829278200 661132474 /nfs/dbraw/zinc/13/24/74/661132474.db2.gz JBRLMEPEGHHLJY-UHFFFAOYSA-N -1 0 368.408 -0.330 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC000829278489 661132508 /nfs/dbraw/zinc/13/25/08/661132508.db2.gz LWXSHXCIZYLIMO-UHFFFAOYSA-N -1 0 366.417 -0.389 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000829279234 601215350 /nfs/dbraw/zinc/21/53/50/601215350.db2.gz RRFCPHIBIIJWSZ-UHFFFAOYSA-N -1 0 372.446 -0.328 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000829279269 661132491 /nfs/dbraw/zinc/13/24/91/661132491.db2.gz SAYGGECTXFNFGY-UHFFFAOYSA-N -1 0 350.418 -0.469 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000829279666 661132480 /nfs/dbraw/zinc/13/24/80/661132480.db2.gz WGXWOYPACCCDIM-UHFFFAOYSA-N -1 0 350.418 -0.089 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC000829279686 661132462 /nfs/dbraw/zinc/13/24/62/661132462.db2.gz WLTOZKOEKJJMLW-UHFFFAOYSA-N -1 0 350.418 -0.257 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC000829279739 661132369 /nfs/dbraw/zinc/13/23/69/661132369.db2.gz XMBLWABZVQRXMZ-UHFFFAOYSA-N -1 0 351.406 -0.694 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC000829280077 661132502 /nfs/dbraw/zinc/13/25/02/661132502.db2.gz YNUUIAXPFNLXOD-UHFFFAOYSA-N -1 0 350.418 -0.089 20 0 FBADRM COc1ccc(C(=O)NCCNC(=O)COC2CN(C(=O)[O-])C2)cc1 ZINC000829283923 603765461 /nfs/dbraw/zinc/76/54/61/603765461.db2.gz BFLUWBLNQQLOGC-UHFFFAOYSA-N -1 0 351.359 -0.080 20 0 FBADRM COc1ccc(C(=O)NCCNC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000829284442 604725860 /nfs/dbraw/zinc/72/58/60/604725860.db2.gz JJMKHOJFAULWQK-CYBMUJFWSA-N -1 0 351.359 -0.080 20 0 FBADRM COc1ccc(C(=O)NCCNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000829284445 604725807 /nfs/dbraw/zinc/72/58/07/604725807.db2.gz JJMKHOJFAULWQK-ZDUSSCGKSA-N -1 0 351.359 -0.080 20 0 FBADRM COc1ccc(C(=O)NCC(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])cc1 ZINC000829284481 604397837 /nfs/dbraw/zinc/39/78/37/604397837.db2.gz JTSYOMLNTFNLFK-CYBMUJFWSA-N -1 0 364.402 -0.165 20 0 FBADRM COc1ccc(C(=O)NCC(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])cc1 ZINC000829284482 604398476 /nfs/dbraw/zinc/39/84/76/604398476.db2.gz JTSYOMLNTFNLFK-ZDUSSCGKSA-N -1 0 364.402 -0.165 20 0 FBADRM COc1ccc(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)cc1S(N)(=O)=O ZINC000829284981 603625433 /nfs/dbraw/zinc/62/54/33/603625433.db2.gz PWHJZFUSADLWMA-LLVKDONJSA-N -1 0 372.355 -0.179 20 0 FBADRM COc1ccc(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)cc1S(N)(=O)=O ZINC000829284992 603625848 /nfs/dbraw/zinc/62/58/48/603625848.db2.gz PWHJZFUSADLWMA-NSHDSACASA-N -1 0 372.355 -0.179 20 0 FBADRM CNS(=O)(=O)C1CCN(S(=O)(=O)c2cc(C(=O)[O-])oc2C)CC1 ZINC000829292487 661132451 /nfs/dbraw/zinc/13/24/51/661132451.db2.gz DIHWCPIMZOBNPW-UHFFFAOYSA-N -1 0 366.417 -0.011 20 0 FBADRM CNS(=O)(=O)C1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000829294715 600745477 /nfs/dbraw/zinc/74/54/77/600745477.db2.gz WVCYKHMFZFUMCM-UHFFFAOYSA-N -1 0 351.406 -0.585 20 0 FBADRM CCCCC[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)[O-] ZINC000829321838 601644204 /nfs/dbraw/zinc/64/42/04/601644204.db2.gz ZFRKNKMWHYDHPW-JTQLQIEISA-N -1 0 365.390 -0.417 20 0 FBADRM CCCCC[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)[O-] ZINC000829321840 601644165 /nfs/dbraw/zinc/64/41/65/601644165.db2.gz ZFRKNKMWHYDHPW-SNVBAGLBSA-N -1 0 365.390 -0.417 20 0 FBADRM CCCCC[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000829327245 601645242 /nfs/dbraw/zinc/64/52/42/601645242.db2.gz YUKXFAPDJSYDAE-JTQLQIEISA-N -1 0 365.390 -0.417 20 0 FBADRM CCCCC[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000829327247 601645110 /nfs/dbraw/zinc/64/51/10/601645110.db2.gz YUKXFAPDJSYDAE-SNVBAGLBSA-N -1 0 365.390 -0.417 20 0 FBADRM CCCCC[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000829340397 601580091 /nfs/dbraw/zinc/58/00/91/601580091.db2.gz OSZJLEROAOQWRQ-LLVKDONJSA-N -1 0 371.481 -0.569 20 0 FBADRM CCCCC[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000829340400 601579993 /nfs/dbraw/zinc/57/99/93/601579993.db2.gz OSZJLEROAOQWRQ-NSHDSACASA-N -1 0 371.481 -0.569 20 0 FBADRM COc1ccc(CN2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)cn1 ZINC000829361562 604115866 /nfs/dbraw/zinc/11/58/66/604115866.db2.gz GCOZNOGXZBYLPA-UHFFFAOYSA-N -1 0 370.431 -0.100 20 0 FBADRM COc1ccc(CNC(=O)CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000829372220 603697532 /nfs/dbraw/zinc/69/75/32/603697532.db2.gz OBIHMCNZRBXIND-AAEUAGOBSA-N -1 0 351.359 -0.459 20 0 FBADRM COc1ccc(CNC(=O)CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000829372221 603697324 /nfs/dbraw/zinc/69/73/24/603697324.db2.gz OBIHMCNZRBXIND-DGCLKSJQSA-N -1 0 351.359 -0.459 20 0 FBADRM COc1ccc(CNC(=O)CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000829372222 603697241 /nfs/dbraw/zinc/69/72/41/603697241.db2.gz OBIHMCNZRBXIND-WCQYABFASA-N -1 0 351.359 -0.459 20 0 FBADRM COc1ccc(CNC(=O)CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000829372223 603697478 /nfs/dbraw/zinc/69/74/78/603697478.db2.gz OBIHMCNZRBXIND-YPMHNXCESA-N -1 0 351.359 -0.459 20 0 FBADRM COc1ccc(CNC(=O)CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000829372272 604757439 /nfs/dbraw/zinc/75/74/39/604757439.db2.gz OVDTZQBAJFICGU-CYBMUJFWSA-N -1 0 351.359 -0.194 20 0 FBADRM COc1ccc(CNC(=O)CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000829372273 604757144 /nfs/dbraw/zinc/75/71/44/604757144.db2.gz OVDTZQBAJFICGU-ZDUSSCGKSA-N -1 0 351.359 -0.194 20 0 FBADRM COc1ccc(CNC(=O)CNC(=O)COC2CN(C(=O)[O-])C2)cc1 ZINC000829372771 603749480 /nfs/dbraw/zinc/74/94/80/603749480.db2.gz WIGQACVTYOIHGN-UHFFFAOYSA-N -1 0 351.359 -0.194 20 0 FBADRM COc1ccc(CNC(=O)Cn2nnnc2CNC(=O)[O-])cc1OC ZINC000829381684 605175649 /nfs/dbraw/zinc/17/56/49/605175649.db2.gz PECSHDZYVBPBSF-UHFFFAOYSA-N -1 0 350.335 -0.226 20 0 FBADRM COc1ccc(CNC(C)=O)cc1S(=O)(=O)NC1CN(C(=O)[O-])C1 ZINC000829389181 604414626 /nfs/dbraw/zinc/41/46/26/604414626.db2.gz IJAUZSOMPBOFMH-UHFFFAOYSA-N -1 0 357.388 -0.028 20 0 FBADRM CCCCNC(=O)[C@@H]1CSCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000829395496 601257516 /nfs/dbraw/zinc/25/75/16/601257516.db2.gz GWPKKRHLTXMJCE-JTQLQIEISA-N -1 0 353.466 -0.071 20 0 FBADRM CCCCNC(=O)[C@H]1CSCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000829395506 601257612 /nfs/dbraw/zinc/25/76/12/601257612.db2.gz GWPKKRHLTXMJCE-SNVBAGLBSA-N -1 0 353.466 -0.071 20 0 FBADRM CCCCNC(=O)CN1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000829400968 600694247 /nfs/dbraw/zinc/69/42/47/600694247.db2.gz BATNYICJLBUYPL-UHFFFAOYSA-N -1 0 372.447 -0.065 20 0 FBADRM CCCCNC(=O)CN1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000829402021 601253348 /nfs/dbraw/zinc/25/33/48/601253348.db2.gz MTDSGGSXDJCXDG-UHFFFAOYSA-N -1 0 364.468 -0.828 20 0 FBADRM CCCCNC(=O)CN1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000829402558 601272606 /nfs/dbraw/zinc/27/26/06/601272606.db2.gz XRABIYXFRKYGSU-UHFFFAOYSA-N -1 0 352.395 -0.963 20 0 FBADRM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000829421426 601111933 /nfs/dbraw/zinc/11/19/33/601111933.db2.gz AKRRJGDQHYAHBE-GHMZBOCLSA-N -1 0 364.420 -0.287 20 0 FBADRM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000829421427 601111879 /nfs/dbraw/zinc/11/18/79/601111879.db2.gz AKRRJGDQHYAHBE-MNOVXSKESA-N -1 0 364.420 -0.287 20 0 FBADRM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000829421428 601111935 /nfs/dbraw/zinc/11/19/35/601111935.db2.gz AKRRJGDQHYAHBE-QWRGUYRKSA-N -1 0 364.420 -0.287 20 0 FBADRM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000829421429 601111891 /nfs/dbraw/zinc/11/18/91/601111891.db2.gz AKRRJGDQHYAHBE-WDEREUQCSA-N -1 0 364.420 -0.287 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CCO[C@H](CO)C2)cc1NC(=O)[O-] ZINC000829433370 604075025 /nfs/dbraw/zinc/07/50/25/604075025.db2.gz DOPJLRAYMGXEAS-JTQLQIEISA-N -1 0 353.331 -0.057 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CCO[C@@H](CO)C2)cc1NC(=O)[O-] ZINC000829433371 604074987 /nfs/dbraw/zinc/07/49/87/604074987.db2.gz DOPJLRAYMGXEAS-SNVBAGLBSA-N -1 0 353.331 -0.057 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)cc1NC(=O)[O-] ZINC000829435538 603722208 /nfs/dbraw/zinc/72/22/08/603722208.db2.gz VQEKXUNEGXNJOQ-AOOOYVTPSA-N -1 0 353.331 -0.322 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)cn1 ZINC000829436272 604742446 /nfs/dbraw/zinc/74/24/46/604742446.db2.gz ZTXOCMNURXUZMB-GXSJLCMTSA-N -1 0 352.347 -0.088 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)cn1 ZINC000829436274 604742395 /nfs/dbraw/zinc/74/23/95/604742395.db2.gz ZTXOCMNURXUZMB-KOLCDFICSA-N -1 0 352.347 -0.088 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)cn1 ZINC000829436276 604742473 /nfs/dbraw/zinc/74/24/73/604742473.db2.gz ZTXOCMNURXUZMB-MWLCHTKSSA-N -1 0 352.347 -0.088 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)cn1 ZINC000829436278 604742550 /nfs/dbraw/zinc/74/25/50/604742550.db2.gz ZTXOCMNURXUZMB-ONGXEEELSA-N -1 0 352.347 -0.088 20 0 FBADRM COc1ccc(NC(=O)C(=O)NCCN(C)C(=O)[O-])cc1-n1cnnn1 ZINC000829442360 604141262 /nfs/dbraw/zinc/14/12/62/604141262.db2.gz MCBSHTIQLWXORO-UHFFFAOYSA-N -1 0 363.334 -0.665 20 0 FBADRM COc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)[O-])CC2)c(C)n1 ZINC000829443071 604405944 /nfs/dbraw/zinc/40/59/44/604405944.db2.gz XWIWBRXBBCKYFI-UHFFFAOYSA-N -1 0 365.390 -0.251 20 0 FBADRM COc1ccc(NC(=O)C(=O)NCCCNC(=O)[O-])cc1-n1cnnn1 ZINC000829443128 604128850 /nfs/dbraw/zinc/12/88/50/604128850.db2.gz ZJMQDCXKTINRGL-UHFFFAOYSA-N -1 0 363.334 -0.617 20 0 FBADRM COc1ccc(NC(=O)C(=O)NCCNC(=O)[O-])cc1N1CCOC1=O ZINC000829443157 604124825 /nfs/dbraw/zinc/12/48/25/604124825.db2.gz ZWASWNPTZJJPIT-UHFFFAOYSA-N -1 0 366.330 -0.026 20 0 FBADRM COc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1OCC(N)=O ZINC000829446675 603663698 /nfs/dbraw/zinc/66/36/98/603663698.db2.gz AXFZWBIUGCXEIK-NXEZZACHSA-N -1 0 353.331 -0.389 20 0 FBADRM COc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1OCC(N)=O ZINC000829446676 603664096 /nfs/dbraw/zinc/66/40/96/603664096.db2.gz AXFZWBIUGCXEIK-UWVGGRQHSA-N -1 0 353.331 -0.389 20 0 FBADRM COc1ccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1OCC(N)=O ZINC000829446677 603663766 /nfs/dbraw/zinc/66/37/66/603663766.db2.gz AXFZWBIUGCXEIK-VHSXEESVSA-N -1 0 353.331 -0.389 20 0 FBADRM COc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1OCC(N)=O ZINC000829446678 603663843 /nfs/dbraw/zinc/66/38/43/603663843.db2.gz AXFZWBIUGCXEIK-ZJUUUORDSA-N -1 0 353.331 -0.389 20 0 FBADRM CCCCN1C(=O)N=NC1S(=O)(=O)CCc1cn(CC(=O)[O-])nn1 ZINC000829447499 604775473 /nfs/dbraw/zinc/77/54/73/604775473.db2.gz NNULUJHZWHVFDK-UHFFFAOYSA-N -1 0 358.380 -0.524 20 0 FBADRM COc1ccc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1OCC(N)=O ZINC000829448519 604716005 /nfs/dbraw/zinc/71/60/05/604716005.db2.gz SREDWCLKSGSUAK-GFCCVEGCSA-N -1 0 353.331 -0.123 20 0 FBADRM COc1ccc(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1OCC(N)=O ZINC000829448520 604716106 /nfs/dbraw/zinc/71/61/06/604716106.db2.gz SREDWCLKSGSUAK-LBPRGKRZSA-N -1 0 353.331 -0.123 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000829451863 600752132 /nfs/dbraw/zinc/75/21/32/600752132.db2.gz DPUHYSSYDMUUBZ-LLVKDONJSA-N -1 0 362.429 -0.162 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000829451864 600751903 /nfs/dbraw/zinc/75/19/03/600751903.db2.gz DPUHYSSYDMUUBZ-NSHDSACASA-N -1 0 362.429 -0.162 20 0 FBADRM CCCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000829452921 601258459 /nfs/dbraw/zinc/25/84/59/601258459.db2.gz LMHBHFNSCSFAMM-JTQLQIEISA-N -1 0 353.466 -0.119 20 0 FBADRM CCCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000829452923 601258349 /nfs/dbraw/zinc/25/83/49/601258349.db2.gz LMHBHFNSCSFAMM-SNVBAGLBSA-N -1 0 353.466 -0.119 20 0 FBADRM COc1ccc(NC(=O)COC2CN(C(=O)[O-])C2)cc1OCC(N)=O ZINC000829453152 603979349 /nfs/dbraw/zinc/97/93/49/603979349.db2.gz BUQPMEVDTBITEI-UHFFFAOYSA-N -1 0 353.331 -0.123 20 0 FBADRM CCCN(CCC)S(=O)(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000829492071 601808238 /nfs/dbraw/zinc/80/82/38/601808238.db2.gz PZSQPUJQPYADNZ-UHFFFAOYSA-N -1 0 356.466 -0.025 20 0 FBADRM COc1ccc(OC)c([C@H](O)CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000829494597 604894523 /nfs/dbraw/zinc/89/45/23/604894523.db2.gz QWXSNNORIRKWOM-JIMOISOXSA-N -1 0 354.359 -0.033 20 0 FBADRM COc1ccc(OC)c([C@H](O)CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000829494598 604894677 /nfs/dbraw/zinc/89/46/77/604894677.db2.gz QWXSNNORIRKWOM-OASPWFOLSA-N -1 0 354.359 -0.033 20 0 FBADRM COc1ccc(OC)c([C@H](O)CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000829494599 604894581 /nfs/dbraw/zinc/89/45/81/604894581.db2.gz QWXSNNORIRKWOM-TVYUQYBPSA-N -1 0 354.359 -0.033 20 0 FBADRM COc1ccc(OC)c([C@H](O)CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000829494600 604894466 /nfs/dbraw/zinc/89/44/66/604894466.db2.gz QWXSNNORIRKWOM-ZWKOPEQDSA-N -1 0 354.359 -0.033 20 0 FBADRM CS(=O)(=O)[C@@H]1CSCCN1S(=O)(=O)c1cccnc1C(=O)[O-] ZINC000829494822 661133164 /nfs/dbraw/zinc/13/31/64/661133164.db2.gz AMTLSWBAJROMIV-SECBINFHSA-N -1 0 366.442 -0.112 20 0 FBADRM CS(=O)(=O)[C@H]1CSCCN1S(=O)(=O)c1cccnc1C(=O)[O-] ZINC000829494835 661133135 /nfs/dbraw/zinc/13/31/35/661133135.db2.gz AMTLSWBAJROMIV-VIFPVBQESA-N -1 0 366.442 -0.112 20 0 FBADRM CS(=O)(=O)[C@H]1CSCCN1S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC000829495125 661133101 /nfs/dbraw/zinc/13/31/01/661133101.db2.gz FIWVZRIBHAIMIO-JTQLQIEISA-N -1 0 366.442 -0.112 20 0 FBADRM CS(=O)(=O)[C@@H]1CSCCN1S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC000829495126 661133176 /nfs/dbraw/zinc/13/31/76/661133176.db2.gz FIWVZRIBHAIMIO-SNVBAGLBSA-N -1 0 366.442 -0.112 20 0 FBADRM CS(=O)(=O)[C@@H]1CSCCN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC000829495244 661133047 /nfs/dbraw/zinc/13/30/47/661133047.db2.gz IXZFVVKSETWFPJ-SSDOTTSWSA-N -1 0 372.471 -0.051 20 0 FBADRM CS(=O)(=O)[C@H]1CSCCN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC000829495245 661133077 /nfs/dbraw/zinc/13/30/77/661133077.db2.gz IXZFVVKSETWFPJ-ZETCQYMHSA-N -1 0 372.471 -0.051 20 0 FBADRM CS(=O)(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000829495314 661133085 /nfs/dbraw/zinc/13/30/85/661133085.db2.gz KUHBLLWDKMKPKB-JTQLQIEISA-N -1 0 366.442 -0.112 20 0 FBADRM CS(=O)(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000829495315 661133017 /nfs/dbraw/zinc/13/30/17/661133017.db2.gz KUHBLLWDKMKPKB-SNVBAGLBSA-N -1 0 366.442 -0.112 20 0 FBADRM CCCNC(=O)C1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000829507764 600701603 /nfs/dbraw/zinc/70/16/03/600701603.db2.gz INKKJXLCVNDNPP-UHFFFAOYSA-N -1 0 358.420 -0.105 20 0 FBADRM CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000829508247 600729837 /nfs/dbraw/zinc/72/98/37/600729837.db2.gz PUPAAJMBNWWADC-LLVKDONJSA-N -1 0 358.420 -0.105 20 0 FBADRM CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000829508248 600729782 /nfs/dbraw/zinc/72/97/82/600729782.db2.gz PUPAAJMBNWWADC-NSHDSACASA-N -1 0 358.420 -0.105 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)CN(C)[C@H](C)CNC(=O)[O-] ZINC000829510064 604349016 /nfs/dbraw/zinc/34/90/16/604349016.db2.gz ACXMCMBPXQYBPQ-SECBINFHSA-N -1 0 374.419 -0.131 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)CN(C)[C@@H](C)CNC(=O)[O-] ZINC000829510065 604349219 /nfs/dbraw/zinc/34/92/19/604349219.db2.gz ACXMCMBPXQYBPQ-VIFPVBQESA-N -1 0 374.419 -0.131 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[C@@H](NC(=O)[O-])C1 ZINC000829510585 604431044 /nfs/dbraw/zinc/43/10/44/604431044.db2.gz KWVRKKVJMJYRMO-SECBINFHSA-N -1 0 372.403 -0.377 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[C@H](NC(=O)[O-])C1 ZINC000829510586 605930996 /nfs/dbraw/zinc/93/09/96/605930996.db2.gz KWVRKKVJMJYRMO-VIFPVBQESA-N -1 0 372.403 -0.377 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)CNC(=O)[O-] ZINC000829510658 604380010 /nfs/dbraw/zinc/38/00/10/604380010.db2.gz NAAJATYAYHDPQW-UHFFFAOYSA-N -1 0 361.332 -0.908 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)COC1CN(C(=O)[O-])C1 ZINC000829510781 603763447 /nfs/dbraw/zinc/76/34/47/603763447.db2.gz NPKAMNKDGKTMFP-UHFFFAOYSA-N -1 0 359.360 -0.340 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000829511153 603625427 /nfs/dbraw/zinc/62/54/27/603625427.db2.gz UJSBPYZCZMVJHY-GFCCVEGCSA-N -1 0 372.355 -0.179 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000829511154 603625553 /nfs/dbraw/zinc/62/55/53/603625553.db2.gz UJSBPYZCZMVJHY-LBPRGKRZSA-N -1 0 372.355 -0.179 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(C(=O)[O-])CC1 ZINC000829511237 604347547 /nfs/dbraw/zinc/34/75/47/604347547.db2.gz WRBSCWITBSVNHG-UHFFFAOYSA-N -1 0 372.403 -0.423 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000829511281 604666219 /nfs/dbraw/zinc/66/62/19/604666219.db2.gz XTTFOIBVNXBPRC-LLVKDONJSA-N -1 0 359.360 -0.340 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000829511282 604666474 /nfs/dbraw/zinc/66/64/74/604666474.db2.gz XTTFOIBVNXBPRC-NSHDSACASA-N -1 0 359.360 -0.340 20 0 FBADRM CCCNC(=O)CNC(=O)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000829513368 600866250 /nfs/dbraw/zinc/86/62/50/600866250.db2.gz LLLCYRCMVZOVTO-UHFFFAOYSA-N -1 0 367.358 -0.017 20 0 FBADRM CCCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000829513740 600866344 /nfs/dbraw/zinc/86/63/44/600866344.db2.gz PKJIJZNQISLTII-UHFFFAOYSA-N -1 0 365.342 -0.248 20 0 FBADRM CCCNC(=O)CN1CCC(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC000829513799 601766103 /nfs/dbraw/zinc/76/61/03/601766103.db2.gz QYERYKALWZNXDT-AWEZNQCLSA-N -1 0 370.450 -0.138 20 0 FBADRM CCCNC(=O)CN1CCC(NC(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC000829513800 601766196 /nfs/dbraw/zinc/76/61/96/601766196.db2.gz QYERYKALWZNXDT-CQSZACIVSA-N -1 0 370.450 -0.138 20 0 FBADRM CCCNC(=O)CN1CCC(NC(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000829513810 601276008 /nfs/dbraw/zinc/27/60/08/601276008.db2.gz RJDPOPAIDRLCQV-UHFFFAOYSA-N -1 0 352.395 -0.917 20 0 FBADRM CCCNC(=O)CN1CCC(NS(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000829514126 601254382 /nfs/dbraw/zinc/25/43/82/601254382.db2.gz WFIZBNLACCYRJD-UHFFFAOYSA-N -1 0 364.468 -0.782 20 0 FBADRM CCCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000829514152 600866359 /nfs/dbraw/zinc/86/63/59/600866359.db2.gz WPTHAOOPDBSLES-UHFFFAOYSA-N -1 0 365.342 -0.248 20 0 FBADRM CCCNC(=O)CN1CCC(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000829514228 600708223 /nfs/dbraw/zinc/70/82/23/600708223.db2.gz YURHIMQDCCMBQN-UHFFFAOYSA-N -1 0 372.447 -0.018 20 0 FBADRM COc1cccc(C(=O)NCCNC(=O)COC2CN(C(=O)[O-])C2)c1 ZINC000829537148 603973976 /nfs/dbraw/zinc/97/39/76/603973976.db2.gz GRWNBLSRUXANAP-UHFFFAOYSA-N -1 0 351.359 -0.080 20 0 FBADRM COc1cccc(C(=O)NCCNC(=O)[C@H]2CN(C(=O)[O-])CCO2)c1 ZINC000829537417 604677901 /nfs/dbraw/zinc/67/79/01/604677901.db2.gz MEANGYGMWWNWPR-CYBMUJFWSA-N -1 0 351.359 -0.080 20 0 FBADRM COc1cccc(C(=O)NCCNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1 ZINC000829537418 604678033 /nfs/dbraw/zinc/67/80/33/604678033.db2.gz MEANGYGMWWNWPR-ZDUSSCGKSA-N -1 0 351.359 -0.080 20 0 FBADRM COc1cccc(C(=O)NCCNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000829537469 603646005 /nfs/dbraw/zinc/64/60/05/603646005.db2.gz NRWACRCPFLRMJY-AAEUAGOBSA-N -1 0 351.359 -0.346 20 0 FBADRM COc1cccc(C(=O)NCCNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000829537470 603645965 /nfs/dbraw/zinc/64/59/65/603645965.db2.gz NRWACRCPFLRMJY-DGCLKSJQSA-N -1 0 351.359 -0.346 20 0 FBADRM COc1cccc(C(=O)NCCNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000829537471 603646273 /nfs/dbraw/zinc/64/62/73/603646273.db2.gz NRWACRCPFLRMJY-WCQYABFASA-N -1 0 351.359 -0.346 20 0 FBADRM COc1cccc(C(=O)NCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000829537472 603645738 /nfs/dbraw/zinc/64/57/38/603645738.db2.gz NRWACRCPFLRMJY-YPMHNXCESA-N -1 0 351.359 -0.346 20 0 FBADRM CCCS(=O)(=O)NC1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC000829545606 601775140 /nfs/dbraw/zinc/77/51/40/601775140.db2.gz AWDVHQLIEHZUNX-JTQLQIEISA-N -1 0 356.466 -0.169 20 0 FBADRM CCCS(=O)(=O)NC1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC000829545607 601775086 /nfs/dbraw/zinc/77/50/86/601775086.db2.gz AWDVHQLIEHZUNX-SNVBAGLBSA-N -1 0 356.466 -0.169 20 0 FBADRM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000829545612 604694815 /nfs/dbraw/zinc/69/48/15/604694815.db2.gz BBBODEUHXJPNSA-GFCCVEGCSA-N -1 0 374.419 -0.347 20 0 FBADRM CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000829545613 604694690 /nfs/dbraw/zinc/69/46/90/604694690.db2.gz BBBODEUHXJPNSA-LBPRGKRZSA-N -1 0 374.419 -0.347 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000829545639 601113370 /nfs/dbraw/zinc/11/33/70/601113370.db2.gz CIYOTFKLURSUKX-GHMZBOCLSA-N -1 0 364.420 -0.287 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000829545640 601113420 /nfs/dbraw/zinc/11/34/20/601113420.db2.gz CIYOTFKLURSUKX-MNOVXSKESA-N -1 0 364.420 -0.287 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000829545641 601113413 /nfs/dbraw/zinc/11/34/13/601113413.db2.gz CIYOTFKLURSUKX-QWRGUYRKSA-N -1 0 364.420 -0.287 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000829545642 601113417 /nfs/dbraw/zinc/11/34/17/601113417.db2.gz CIYOTFKLURSUKX-WDEREUQCSA-N -1 0 364.420 -0.287 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000829545686 601196387 /nfs/dbraw/zinc/19/63/87/601196387.db2.gz GVMVMPYXDGEFAR-UHFFFAOYSA-N -1 0 359.408 -0.703 20 0 FBADRM CCCS(=O)(=O)NC1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000829545958 601275924 /nfs/dbraw/zinc/27/59/24/601275924.db2.gz XGQAKYQJJNUGTO-UHFFFAOYSA-N -1 0 359.408 -0.703 20 0 FBADRM CCCS(=O)(=O)N1CCC(NS(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC000829545972 601776357 /nfs/dbraw/zinc/77/63/57/601776357.db2.gz XJFIEQNONOAKDP-JTQLQIEISA-N -1 0 356.466 -0.169 20 0 FBADRM CCCS(=O)(=O)N1CCC(NS(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC000829545973 601776266 /nfs/dbraw/zinc/77/62/66/601776266.db2.gz XJFIEQNONOAKDP-SNVBAGLBSA-N -1 0 356.466 -0.169 20 0 FBADRM CC(C)(C)OC(=O)NCCn1cc(C(=O)NCc2n[nH]c(=O)[n-]2)nn1 ZINC000829547193 661133435 /nfs/dbraw/zinc/13/34/35/661133435.db2.gz YJYRKTVTKIEBGP-UHFFFAOYSA-N -1 0 352.355 -0.444 20 0 FBADRM CCC[C@@H](NC(N)=O)C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC000829549334 601863731 /nfs/dbraw/zinc/86/37/31/601863731.db2.gz BRGCWHZBJBVFJZ-LLVKDONJSA-N -1 0 372.403 -0.175 20 0 FBADRM COc1cccc(CN2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)n1 ZINC000829558823 604099945 /nfs/dbraw/zinc/09/99/45/604099945.db2.gz DTBDUBFBEHRLSN-UHFFFAOYSA-N -1 0 370.431 -0.100 20 0 FBADRM CCCc1nc([C@@H]2CN(S(=O)(=O)N(C)CCC(=O)[O-])CCO2)n[nH]1 ZINC000829571321 601264010 /nfs/dbraw/zinc/26/40/10/601264010.db2.gz PVFQLAXGMUDTGO-JTQLQIEISA-N -1 0 361.424 -0.218 20 0 FBADRM CCCc1nc([C@H]2CN(S(=O)(=O)N(C)CCC(=O)[O-])CCO2)n[nH]1 ZINC000829571323 601263841 /nfs/dbraw/zinc/26/38/41/601263841.db2.gz PVFQLAXGMUDTGO-SNVBAGLBSA-N -1 0 361.424 -0.218 20 0 FBADRM CCN(C(=O)[C@H](C)N1CCO[C@@H](CC(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000829590858 601454216 /nfs/dbraw/zinc/45/42/16/601454216.db2.gz HLCKPPHSSWZKTQ-AVGNSLFASA-N -1 0 362.448 -0.414 20 0 FBADRM CCN(C(=O)[C@H](C)N1CCO[C@H](CC(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000829590859 601454317 /nfs/dbraw/zinc/45/43/17/601454317.db2.gz HLCKPPHSSWZKTQ-RWMBFGLXSA-N -1 0 362.448 -0.414 20 0 FBADRM CCN(C(=O)[C@H](C)N1CCO[C@@H](CC(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000829590860 601454367 /nfs/dbraw/zinc/45/43/67/601454367.db2.gz HLCKPPHSSWZKTQ-XQQFMLRXSA-N -1 0 362.448 -0.414 20 0 FBADRM CCN(C(=O)[C@H](C)N1CCO[C@H](CC(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000829590861 601454343 /nfs/dbraw/zinc/45/43/43/601454343.db2.gz HLCKPPHSSWZKTQ-YNEHKIRRSA-N -1 0 362.448 -0.414 20 0 FBADRM CCN(C(=O)[C@@H](C)OC(=O)C(C)(C)NC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000829590864 600663506 /nfs/dbraw/zinc/66/35/06/600663506.db2.gz HPEBIIWZDHDRDG-NXEZZACHSA-N -1 0 364.420 0.000 20 0 FBADRM CCN(C(=O)[C@H](C)OC(=O)C(C)(C)NC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000829590865 600663671 /nfs/dbraw/zinc/66/36/71/600663671.db2.gz HPEBIIWZDHDRDG-UWVGGRQHSA-N -1 0 364.420 0.000 20 0 FBADRM CCN(C(=O)[C@H](C)OC(=O)C(C)(C)NC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000829590866 600663637 /nfs/dbraw/zinc/66/36/37/600663637.db2.gz HPEBIIWZDHDRDG-VHSXEESVSA-N -1 0 364.420 0.000 20 0 FBADRM CCN(C(=O)[C@@H](C)OC(=O)C(C)(C)NC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000829590867 600663564 /nfs/dbraw/zinc/66/35/64/600663564.db2.gz HPEBIIWZDHDRDG-ZJUUUORDSA-N -1 0 364.420 0.000 20 0 FBADRM CCN(C(=O)[C@H](C)N1CC[C@](F)(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000829591200 601438911 /nfs/dbraw/zinc/43/89/11/601438911.db2.gz OZGRJCAETXKATH-COPLHBTASA-N -1 0 350.412 -0.091 20 0 FBADRM CCN(C(=O)[C@H](C)N1CC[C@](F)(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000829591202 601438785 /nfs/dbraw/zinc/43/87/85/601438785.db2.gz OZGRJCAETXKATH-MISXGVKJSA-N -1 0 350.412 -0.091 20 0 FBADRM CCN(C(=O)[C@H](C)N1CC[C@@](F)(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000829591203 601438917 /nfs/dbraw/zinc/43/89/17/601438917.db2.gz OZGRJCAETXKATH-MJVIPROJSA-N -1 0 350.412 -0.091 20 0 FBADRM CCN(C(=O)[C@H](C)N1CC[C@@](F)(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000829591204 601438951 /nfs/dbraw/zinc/43/89/51/601438951.db2.gz OZGRJCAETXKATH-WDMOLILDSA-N -1 0 350.412 -0.091 20 0 FBADRM CCN(C(=O)CN(CC(=O)[O-])C1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000829591229 600851996 /nfs/dbraw/zinc/85/19/96/600851996.db2.gz PNWXMISOMGAWIZ-CYBMUJFWSA-N -1 0 362.448 -0.412 20 0 FBADRM CCN(C(=O)CN(CC(=O)[O-])C1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000829591230 600851920 /nfs/dbraw/zinc/85/19/20/600851920.db2.gz PNWXMISOMGAWIZ-ZDUSSCGKSA-N -1 0 362.448 -0.412 20 0 FBADRM CCN(C(=O)CN(C)[C@H](COC(C)C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000829591334 604405161 /nfs/dbraw/zinc/40/51/61/604405161.db2.gz RSKNUIMHXRPKTP-CHWSQXEVSA-N -1 0 364.464 -0.168 20 0 FBADRM CCN(C(=O)CN(C)[C@@H](COC(C)C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000829591346 604405138 /nfs/dbraw/zinc/40/51/38/604405138.db2.gz RSKNUIMHXRPKTP-OLZOCXBDSA-N -1 0 364.464 -0.168 20 0 FBADRM CCN(C(=O)CN(C)[C@H](COC(C)C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000829591348 604405181 /nfs/dbraw/zinc/40/51/81/604405181.db2.gz RSKNUIMHXRPKTP-QWHCGFSZSA-N -1 0 364.464 -0.168 20 0 FBADRM CCN(C(=O)CN(C)[C@@H](COC(C)C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000829591350 604405072 /nfs/dbraw/zinc/40/50/72/604405072.db2.gz RSKNUIMHXRPKTP-STQMWFEESA-N -1 0 364.464 -0.168 20 0 FBADRM COc1ccccc1[C@H](CNC(=O)c1cn(CC(N)=O)nn1)NC(=O)[O-] ZINC000829596927 603363960 /nfs/dbraw/zinc/36/39/60/603363960.db2.gz CVTZBJUOWJHLQY-JTQLQIEISA-N -1 0 362.346 -0.489 20 0 FBADRM COc1ccccc1[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)NC(=O)[O-] ZINC000829596928 603363977 /nfs/dbraw/zinc/36/39/77/603363977.db2.gz CVTZBJUOWJHLQY-SNVBAGLBSA-N -1 0 362.346 -0.489 20 0 FBADRM CCN(C(=O)COC(=O)c1cnccc1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000829597151 602287509 /nfs/dbraw/zinc/28/75/09/602287509.db2.gz JGGWKABFQPGPJD-JTQLQIEISA-N -1 0 370.383 -0.028 20 0 FBADRM CCN(C(=O)COC(=O)c1cnccc1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000829597152 602287370 /nfs/dbraw/zinc/28/73/70/602287370.db2.gz JGGWKABFQPGPJD-SNVBAGLBSA-N -1 0 370.383 -0.028 20 0 FBADRM CCN(C(=O)CS(=O)(=O)CCCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000829597162 601638832 /nfs/dbraw/zinc/63/88/32/601638832.db2.gz JLGYQWDSYAQOCL-JTQLQIEISA-N -1 0 355.434 -0.698 20 0 FBADRM CCN(C(=O)CS(=O)(=O)CCCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000829597163 601638965 /nfs/dbraw/zinc/63/89/65/601638965.db2.gz JLGYQWDSYAQOCL-SNVBAGLBSA-N -1 0 355.434 -0.698 20 0 FBADRM CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000829608181 600733711 /nfs/dbraw/zinc/73/37/11/600733711.db2.gz FUBXDOVVAPGURH-JTQLQIEISA-N -1 0 362.433 -0.490 20 0 FBADRM CCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000829608182 600733821 /nfs/dbraw/zinc/73/38/21/600733821.db2.gz FUBXDOVVAPGURH-SNVBAGLBSA-N -1 0 362.433 -0.490 20 0 FBADRM CCN(C)S(=O)(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC000829612894 600867297 /nfs/dbraw/zinc/86/72/97/600867297.db2.gz DJBKSTIFXOILQL-UHFFFAOYSA-N -1 0 351.406 -0.342 20 0 FBADRM CCN(C)S(=O)(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000829613899 601959974 /nfs/dbraw/zinc/95/99/74/601959974.db2.gz WEKSVHVXKDMWMP-UHFFFAOYSA-N -1 0 364.445 -0.028 20 0 FBADRM CCN(C1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1)S(C)(=O)=O ZINC000829619041 601789554 /nfs/dbraw/zinc/78/95/54/601789554.db2.gz QHDHAKQESYWXRJ-JTQLQIEISA-N -1 0 356.466 -0.217 20 0 FBADRM CCN(C1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1)S(C)(=O)=O ZINC000829619042 601789632 /nfs/dbraw/zinc/78/96/32/601789632.db2.gz QHDHAKQESYWXRJ-SNVBAGLBSA-N -1 0 356.466 -0.217 20 0 FBADRM COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NCCNC(=O)[O-])C1=O ZINC000829619442 605362054 /nfs/dbraw/zinc/36/20/54/605362054.db2.gz QCMJHCAXZSNZPO-INIZCTEOSA-N -1 0 364.358 -0.154 20 0 FBADRM COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NCCNC(=O)[O-])C1=O ZINC000829619443 605362177 /nfs/dbraw/zinc/36/21/77/605362177.db2.gz QCMJHCAXZSNZPO-MRXNPFEDSA-N -1 0 364.358 -0.154 20 0 FBADRM CCN(CC(=O)[O-])C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000829623915 601941493 /nfs/dbraw/zinc/94/14/93/601941493.db2.gz GKNDCIPFYRODPP-SECBINFHSA-N -1 0 357.388 -0.615 20 0 FBADRM CCN(CC(=O)[O-])C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000829623916 601941619 /nfs/dbraw/zinc/94/16/19/601941619.db2.gz GKNDCIPFYRODPP-VIFPVBQESA-N -1 0 357.388 -0.615 20 0 FBADRM CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000829648413 600744459 /nfs/dbraw/zinc/74/44/59/600744459.db2.gz MQKAKVWHXGDZCY-GFCCVEGCSA-N -1 0 358.420 -0.011 20 0 FBADRM CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000829648415 600744501 /nfs/dbraw/zinc/74/45/01/600744501.db2.gz MQKAKVWHXGDZCY-LBPRGKRZSA-N -1 0 358.420 -0.011 20 0 FBADRM CCN(CC)C(=O)[C@@H]1CSCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000829648678 601257721 /nfs/dbraw/zinc/25/77/21/601257721.db2.gz SDKDPWVDNFVRBI-JTQLQIEISA-N -1 0 353.466 -0.119 20 0 FBADRM CCN(CC)C(=O)[C@H]1CSCN1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000829648679 601257619 /nfs/dbraw/zinc/25/76/19/601257619.db2.gz SDKDPWVDNFVRBI-SNVBAGLBSA-N -1 0 353.466 -0.119 20 0 FBADRM COc1ccnc(N2CCN(C(=O)COC3CN(C(=O)[O-])C3)CC2)n1 ZINC000829649119 603750937 /nfs/dbraw/zinc/75/09/37/603750937.db2.gz DYBWNQCVNIRNTC-UHFFFAOYSA-N -1 0 351.363 -0.487 20 0 FBADRM COc1ccnc(CN2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)c1 ZINC000829649173 604099868 /nfs/dbraw/zinc/09/98/68/604099868.db2.gz GBDUJFZJPCIENB-UHFFFAOYSA-N -1 0 370.431 -0.100 20 0 FBADRM COc1ccnc(N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)n1 ZINC000829649862 603885458 /nfs/dbraw/zinc/88/54/58/603885458.db2.gz LZJNWFINUMJDIS-UHFFFAOYSA-N -1 0 357.392 -0.701 20 0 FBADRM COc1ccncc1NC(=O)C(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000829649970 604749118 /nfs/dbraw/zinc/74/91/18/604749118.db2.gz NIWGBUAKISNCQA-BXKDBHETSA-N -1 0 352.347 -0.088 20 0 FBADRM COc1ccncc1NC(=O)C(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000829649973 604749152 /nfs/dbraw/zinc/74/91/52/604749152.db2.gz NIWGBUAKISNCQA-CABZTGNLSA-N -1 0 352.347 -0.088 20 0 FBADRM COc1ccncc1NC(=O)C(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000829649976 604749270 /nfs/dbraw/zinc/74/92/70/604749270.db2.gz NIWGBUAKISNCQA-JOYOIKCWSA-N -1 0 352.347 -0.088 20 0 FBADRM COc1ccncc1NC(=O)C(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000829649979 604749169 /nfs/dbraw/zinc/74/91/69/604749169.db2.gz NIWGBUAKISNCQA-SKDRFNHKSA-N -1 0 352.347 -0.088 20 0 FBADRM COc1ccnc(N2CCN(C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)CC2)n1 ZINC000829650200 604738289 /nfs/dbraw/zinc/73/82/89/604738289.db2.gz PNQUYBFSVQXSOQ-GFCCVEGCSA-N -1 0 365.390 -0.097 20 0 FBADRM COc1ccnc(N2CCN(C(=O)C[C@H]3CN(C(=O)[O-])CCO3)CC2)n1 ZINC000829650203 604738120 /nfs/dbraw/zinc/73/81/20/604738120.db2.gz PNQUYBFSVQXSOQ-LBPRGKRZSA-N -1 0 365.390 -0.097 20 0 FBADRM COc1ccnc(N2CCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)CC2)n1 ZINC000829651178 604738294 /nfs/dbraw/zinc/73/82/94/604738294.db2.gz YCMXYOCWKSFBSV-LLVKDONJSA-N -1 0 351.363 -0.487 20 0 FBADRM COc1ccnc(N2CCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)CC2)n1 ZINC000829651180 604738291 /nfs/dbraw/zinc/73/82/91/604738291.db2.gz YCMXYOCWKSFBSV-NSHDSACASA-N -1 0 351.363 -0.487 20 0 FBADRM CCN(CC)C(=O)CN1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000829653945 600992264 /nfs/dbraw/zinc/99/22/64/600992264.db2.gz KWCIVYGQSWTNJR-UHFFFAOYSA-N -1 0 364.468 -0.876 20 0 FBADRM CCN(CC)C(=O)CN1CCCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC000829654060 601274820 /nfs/dbraw/zinc/27/48/20/601274820.db2.gz RNYDVHRFUHUCSS-CYBMUJFWSA-N -1 0 363.480 -0.087 20 0 FBADRM CCN(CC)C(=O)CN1CCCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC000829654061 601274809 /nfs/dbraw/zinc/27/48/09/601274809.db2.gz RNYDVHRFUHUCSS-ZDUSSCGKSA-N -1 0 363.480 -0.087 20 0 FBADRM CCN(CC)C(=O)CN1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000829654137 601285645 /nfs/dbraw/zinc/28/56/45/601285645.db2.gz XDTWHPKHNMSERR-UHFFFAOYSA-N -1 0 366.422 -0.621 20 0 FBADRM CCN(CC)C(=O)CN1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC000829654183 601066356 /nfs/dbraw/zinc/06/63/56/601066356.db2.gz YDSCWGKVRHDCBI-UHFFFAOYSA-N -1 0 366.422 -0.014 20 0 FBADRM COc1ccsc1S(=O)(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000829654244 604462828 /nfs/dbraw/zinc/46/28/28/604462828.db2.gz BPQYTHCMEUDZSM-UHFFFAOYSA-N -1 0 363.417 -0.143 20 0 FBADRM COc1ncc(NC(=O)C(=O)NCCCN(C)C(=O)[O-])cc1C(N)=O ZINC000829659430 604912307 /nfs/dbraw/zinc/91/23/07/604912307.db2.gz BBFGAXVJXXUOFW-UHFFFAOYSA-N -1 0 353.335 -0.756 20 0 FBADRM COc1ncc(NC(=O)C(=O)NCC(C)(C)NC(=O)[O-])cc1C(N)=O ZINC000829659518 604913207 /nfs/dbraw/zinc/91/32/07/604913207.db2.gz CMDZCOVUABJXHE-UHFFFAOYSA-N -1 0 353.335 -0.710 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CCC[C@@H]2CNC(=O)[O-])cc1C(N)=O ZINC000829659785 604913420 /nfs/dbraw/zinc/91/34/20/604913420.db2.gz FFZVAXCZSNONBW-SECBINFHSA-N -1 0 365.346 -0.614 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CCC[C@H]2CNC(=O)[O-])cc1C(N)=O ZINC000829659786 604913239 /nfs/dbraw/zinc/91/32/39/604913239.db2.gz FFZVAXCZSNONBW-VIFPVBQESA-N -1 0 365.346 -0.614 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CCN(C(=O)[O-])C[C@H]2C)cc1C(N)=O ZINC000829659798 604910034 /nfs/dbraw/zinc/91/00/34/604910034.db2.gz FOYWEONMKNEOTG-MRVPVSSYSA-N -1 0 365.346 -0.662 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CCN(C(=O)[O-])C[C@@H]2C)cc1C(N)=O ZINC000829659800 604909858 /nfs/dbraw/zinc/90/98/58/604909858.db2.gz FOYWEONMKNEOTG-QMMMGPOBSA-N -1 0 365.346 -0.662 20 0 FBADRM COc1ncc(NC(=O)C(=O)NCC[C@@H](C)NC(=O)[O-])cc1C(N)=O ZINC000829659825 604908268 /nfs/dbraw/zinc/90/82/68/604908268.db2.gz FXYKQXIBEBMDSS-SSDOTTSWSA-N -1 0 353.335 -0.710 20 0 FBADRM COc1ncc(NC(=O)C(=O)NCC[C@H](C)NC(=O)[O-])cc1C(N)=O ZINC000829659827 604908422 /nfs/dbraw/zinc/90/84/22/604908422.db2.gz FXYKQXIBEBMDSS-ZETCQYMHSA-N -1 0 353.335 -0.710 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CCN(C(=O)[O-])[C@H](C)C2)cc1C(N)=O ZINC000829659836 604912557 /nfs/dbraw/zinc/91/25/57/604912557.db2.gz GCEYZCPPYYYPDM-MRVPVSSYSA-N -1 0 365.346 -0.662 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)cc1C(N)=O ZINC000829659838 604912433 /nfs/dbraw/zinc/91/24/33/604912433.db2.gz GCEYZCPPYYYPDM-QMMMGPOBSA-N -1 0 365.346 -0.662 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CC[C@H](CNC(=O)[O-])C2)cc1C(N)=O ZINC000829660061 604908262 /nfs/dbraw/zinc/90/82/62/604908262.db2.gz HIIOYXMXRFLOQU-MRVPVSSYSA-N -1 0 365.346 -0.756 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CC[C@@H](CNC(=O)[O-])C2)cc1C(N)=O ZINC000829660064 604908544 /nfs/dbraw/zinc/90/85/44/604908544.db2.gz HIIOYXMXRFLOQU-QMMMGPOBSA-N -1 0 365.346 -0.756 20 0 FBADRM COc1ncc(NC(=O)C(=O)N[C@@H](CNC(=O)[O-])C2CC2)cc1C(N)=O ZINC000829660260 604912508 /nfs/dbraw/zinc/91/25/08/604912508.db2.gz KCHMKLZZSAXYSR-JTQLQIEISA-N -1 0 365.346 -0.710 20 0 FBADRM COc1ncc(NC(=O)C(=O)N[C@H](CNC(=O)[O-])C2CC2)cc1C(N)=O ZINC000829660261 604912479 /nfs/dbraw/zinc/91/24/79/604912479.db2.gz KCHMKLZZSAXYSR-SNVBAGLBSA-N -1 0 365.346 -0.710 20 0 FBADRM COc1ncc(NC(=O)C(=O)NC[C@H]2CCCN2C(=O)[O-])cc1C(N)=O ZINC000829660262 604909905 /nfs/dbraw/zinc/90/99/05/604909905.db2.gz KCRHAAKFCFMBKG-SECBINFHSA-N -1 0 365.346 -0.614 20 0 FBADRM COc1ncc(NC(=O)C(=O)NC[C@@H]2CCCN2C(=O)[O-])cc1C(N)=O ZINC000829660263 604909891 /nfs/dbraw/zinc/90/98/91/604909891.db2.gz KCRHAAKFCFMBKG-VIFPVBQESA-N -1 0 365.346 -0.614 20 0 FBADRM COc1ncc(NC(=O)C(=O)N(C)[C@H](C)CNC(=O)[O-])cc1C(N)=O ZINC000829660279 604910063 /nfs/dbraw/zinc/91/00/63/604910063.db2.gz KFXZOFIGZCMHOS-SSDOTTSWSA-N -1 0 353.335 -0.758 20 0 FBADRM COc1ncc(NC(=O)C(=O)N(C)[C@@H](C)CNC(=O)[O-])cc1C(N)=O ZINC000829660280 604909888 /nfs/dbraw/zinc/90/98/88/604909888.db2.gz KFXZOFIGZCMHOS-ZETCQYMHSA-N -1 0 353.335 -0.758 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CCC[C@@H](NC(=O)[O-])C2)cc1C(N)=O ZINC000829660372 604904907 /nfs/dbraw/zinc/90/49/07/604904907.db2.gz LRXHXUIIRXTXAN-MRVPVSSYSA-N -1 0 365.346 -0.614 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CCC[C@H](NC(=O)[O-])C2)cc1C(N)=O ZINC000829660373 604904758 /nfs/dbraw/zinc/90/47/58/604904758.db2.gz LRXHXUIIRXTXAN-QMMMGPOBSA-N -1 0 365.346 -0.614 20 0 FBADRM COc1ncc(NC(=O)C(=O)NC2CCN(C(=O)[O-])CC2)cc1C(N)=O ZINC000829660637 604914297 /nfs/dbraw/zinc/91/42/97/604914297.db2.gz PZDZNAAQKNGUQA-UHFFFAOYSA-N -1 0 365.346 -0.614 20 0 FBADRM COc1ncc(NC(=O)C(=O)NC[C@H](NC(=O)[O-])C(C)C)cc1C(N)=O ZINC000829660725 604912430 /nfs/dbraw/zinc/91/24/30/604912430.db2.gz QYEPLKKFYUBFIP-JTQLQIEISA-N -1 0 367.362 -0.464 20 0 FBADRM COc1ncc(NC(=O)C(=O)NC[C@@H](NC(=O)[O-])C(C)C)cc1C(N)=O ZINC000829660727 604912357 /nfs/dbraw/zinc/91/23/57/604912357.db2.gz QYEPLKKFYUBFIP-SNVBAGLBSA-N -1 0 367.362 -0.464 20 0 FBADRM COc1ncc(NC(=O)C(=O)NCCN(C(=O)[O-])C2CC2)cc1C(N)=O ZINC000829660770 604908387 /nfs/dbraw/zinc/90/83/87/604908387.db2.gz RSPXLZBGHCJGDG-UHFFFAOYSA-N -1 0 365.346 -0.614 20 0 FBADRM COc1ncc(NC(=O)C(=O)N(C)CCCNC(=O)[O-])cc1C(N)=O ZINC000829660891 604912531 /nfs/dbraw/zinc/91/25/31/604912531.db2.gz TUNGBRCFMDZCGD-UHFFFAOYSA-N -1 0 353.335 -0.756 20 0 FBADRM COc1ncc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1C(N)=O ZINC000829660988 604910015 /nfs/dbraw/zinc/91/00/15/604910015.db2.gz VCEHNBKASNTQJY-MRVPVSSYSA-N -1 0 365.346 -0.614 20 0 FBADRM COc1ncc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1C(N)=O ZINC000829660990 604910100 /nfs/dbraw/zinc/91/01/00/604910100.db2.gz VCEHNBKASNTQJY-QMMMGPOBSA-N -1 0 365.346 -0.614 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CCCN(C(=O)[O-])CC2)cc1C(N)=O ZINC000829661104 604904677 /nfs/dbraw/zinc/90/46/77/604904677.db2.gz WUNFFNPETOGQEQ-UHFFFAOYSA-N -1 0 365.346 -0.660 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CCC(NC(=O)[O-])CC2)cc1C(N)=O ZINC000829661142 604904692 /nfs/dbraw/zinc/90/46/92/604904692.db2.gz XNNLDKUAIFGPPR-UHFFFAOYSA-N -1 0 365.346 -0.614 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)cc1C(N)=O ZINC000829661218 604914062 /nfs/dbraw/zinc/91/40/62/604914062.db2.gz ZJNMXNWYHRDWHU-SECBINFHSA-N -1 0 365.346 -0.662 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CC[C@H](N(C)C(=O)[O-])C2)cc1C(N)=O ZINC000829661219 604914078 /nfs/dbraw/zinc/91/40/78/604914078.db2.gz ZJNMXNWYHRDWHU-VIFPVBQESA-N -1 0 365.346 -0.662 20 0 FBADRM COc1ncc(C)cc1NC(=O)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000829661229 604050576 /nfs/dbraw/zinc/05/05/76/604050576.db2.gz ZNTWEVWCOXHIDD-UHFFFAOYSA-N -1 0 365.390 -0.251 20 0 FBADRM COc1ncc(NC(=O)NCCN2CCN(C(=O)[O-])CC2)cc1C(N)=O ZINC000829663193 604861464 /nfs/dbraw/zinc/86/14/64/604861464.db2.gz AYFZFIJZQCFTHT-UHFFFAOYSA-N -1 0 366.378 -0.394 20 0 FBADRM COc1ncccc1NC(=O)C(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000829663980 604744772 /nfs/dbraw/zinc/74/47/72/604744772.db2.gz JIOGCIOACCCGTN-GXSJLCMTSA-N -1 0 352.347 -0.088 20 0 FBADRM COc1ncccc1NC(=O)C(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000829663982 604744837 /nfs/dbraw/zinc/74/48/37/604744837.db2.gz JIOGCIOACCCGTN-KOLCDFICSA-N -1 0 352.347 -0.088 20 0 FBADRM COc1ncccc1NC(=O)C(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000829663983 604744633 /nfs/dbraw/zinc/74/46/33/604744633.db2.gz JIOGCIOACCCGTN-MWLCHTKSSA-N -1 0 352.347 -0.088 20 0 FBADRM COc1ncccc1NC(=O)C(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000829663984 604745063 /nfs/dbraw/zinc/74/50/63/604745063.db2.gz JIOGCIOACCCGTN-ONGXEEELSA-N -1 0 352.347 -0.088 20 0 FBADRM COc1ncnc(N(C)C)c1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000829665076 605164459 /nfs/dbraw/zinc/16/44/59/605164459.db2.gz QPCLTUXZFXKBPZ-UHFFFAOYSA-N -1 0 352.351 -0.688 20 0 FBADRM CS(=O)(=O)CC1(CNC(=O)NCCN2CCN(C(=O)[O-])CC2)CC1 ZINC000829668019 603846321 /nfs/dbraw/zinc/84/63/21/603846321.db2.gz BSKHANXJTMMGFH-UHFFFAOYSA-N -1 0 362.452 -0.594 20 0 FBADRM CS(=O)(=O)CCCC(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000829668787 603954202 /nfs/dbraw/zinc/95/42/02/603954202.db2.gz HPKZNRMCHAGKAR-UHFFFAOYSA-N -1 0 360.396 -0.632 20 0 FBADRM CS(=O)(=O)CC1(CC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1 ZINC000829668879 604113413 /nfs/dbraw/zinc/11/34/13/604113413.db2.gz IDZGLURCBJBGCB-UHFFFAOYSA-N -1 0 361.420 -0.860 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CNCN(CCc2ccccc2)C1 ZINC000829668937 661134439 /nfs/dbraw/zinc/13/44/39/661134439.db2.gz OUPNRFWBKOFTOW-UHFFFAOYSA-N -1 0 356.448 -0.040 20 0 FBADRM CS(=O)(=O)[C@@H]1CSCCN1C(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000829669112 605736871 /nfs/dbraw/zinc/73/68/71/605736871.db2.gz KZGVPWCUBVOBHY-GFCCVEGCSA-N -1 0 365.477 -0.336 20 0 FBADRM CS(=O)(=O)[C@H]1CSCCN1C(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000829669118 605737192 /nfs/dbraw/zinc/73/71/92/605737192.db2.gz KZGVPWCUBVOBHY-LBPRGKRZSA-N -1 0 365.477 -0.336 20 0 FBADRM CS(=O)(=O)[C@@H]1CSCCN1C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000829669214 604950121 /nfs/dbraw/zinc/95/01/21/604950121.db2.gz LTPUBYLZMVHTFG-GXSJLCMTSA-N -1 0 352.434 -0.299 20 0 FBADRM CS(=O)(=O)[C@H]1CSCCN1C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000829669217 604950141 /nfs/dbraw/zinc/95/01/41/604950141.db2.gz LTPUBYLZMVHTFG-KOLCDFICSA-N -1 0 352.434 -0.299 20 0 FBADRM CS(=O)(=O)[C@@H]1CSCCN1C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000829669219 604950067 /nfs/dbraw/zinc/95/00/67/604950067.db2.gz LTPUBYLZMVHTFG-MWLCHTKSSA-N -1 0 352.434 -0.299 20 0 FBADRM CS(=O)(=O)[C@H]1CSCCN1C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000829669222 604950256 /nfs/dbraw/zinc/95/02/56/604950256.db2.gz LTPUBYLZMVHTFG-ONGXEEELSA-N -1 0 352.434 -0.299 20 0 FBADRM CS(=O)(=O)C1CCN(CN2C[C@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000829669317 604435183 /nfs/dbraw/zinc/43/51/83/604435183.db2.gz MSMFYRMNXDHDCZ-LLVKDONJSA-N -1 0 360.436 -0.447 20 0 FBADRM CS(=O)(=O)C1CCN(CN2C[C@@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000829669319 604435235 /nfs/dbraw/zinc/43/52/35/604435235.db2.gz MSMFYRMNXDHDCZ-NSHDSACASA-N -1 0 360.436 -0.447 20 0 FBADRM CS(=O)(=O)C1CCN(C(=O)NCCN2CCN(C(=O)[O-])CC2)CC1 ZINC000829669955 604562170 /nfs/dbraw/zinc/56/21/70/604562170.db2.gz SFOBUUIDGARYAG-UHFFFAOYSA-N -1 0 362.452 -0.499 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000829672341 661134423 /nfs/dbraw/zinc/13/44/23/661134423.db2.gz AKGLNEOXOQZYDA-LLVKDONJSA-N -1 0 351.425 -0.121 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)N[C@H]1CCCCN(C(=O)[O-])C1 ZINC000829672351 661134467 /nfs/dbraw/zinc/13/44/67/661134467.db2.gz AKGLNEOXOQZYDA-NSHDSACASA-N -1 0 351.425 -0.121 20 0 FBADRM CS(=O)(=O)CCNC(=O)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000829672377 604036009 /nfs/dbraw/zinc/03/60/09/604036009.db2.gz ARFSQLHKVKUKST-UHFFFAOYSA-N -1 0 355.372 -0.174 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000829672434 604176743 /nfs/dbraw/zinc/17/67/43/604176743.db2.gz BDDYKVJOKSHDDT-NEPJUHHUSA-N -1 0 363.436 -0.026 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000829672446 605550486 /nfs/dbraw/zinc/55/04/86/605550486.db2.gz BJGWERPVAKSSTR-LLVKDONJSA-N -1 0 354.450 -0.032 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000829672447 605550650 /nfs/dbraw/zinc/55/06/50/605550650.db2.gz BJGWERPVAKSSTR-NSHDSACASA-N -1 0 354.450 -0.032 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000829672600 603814285 /nfs/dbraw/zinc/81/42/85/603814285.db2.gz CWWWYCSJMAETJI-UHFFFAOYSA-N -1 0 351.425 -0.074 20 0 FBADRM CS(=O)(=O)CCCNC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000829672606 603724710 /nfs/dbraw/zinc/72/47/10/603724710.db2.gz CZMBLKLSKLYALX-UHFFFAOYSA-N -1 0 357.388 -0.056 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000829672821 605402637 /nfs/dbraw/zinc/40/26/37/605402637.db2.gz DLAKRZQSTVTXEK-GFCCVEGCSA-N -1 0 363.436 -0.026 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000829672824 605402410 /nfs/dbraw/zinc/40/24/10/605402410.db2.gz DLAKRZQSTVTXEK-LBPRGKRZSA-N -1 0 363.436 -0.026 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N(C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000829672983 603110096 /nfs/dbraw/zinc/11/00/96/603110096.db2.gz GLBKPZNYWHICID-UHFFFAOYSA-N -1 0 354.450 -0.032 20 0 FBADRM CS(=O)(=O)CCn1ccc(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)n1 ZINC000829673005 604951663 /nfs/dbraw/zinc/95/16/63/604951663.db2.gz HHEBSHBFVCRUOD-JTQLQIEISA-N -1 0 360.392 -0.365 20 0 FBADRM CS(=O)(=O)CCn1ccc(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)n1 ZINC000829673006 604951542 /nfs/dbraw/zinc/95/15/42/604951542.db2.gz HHEBSHBFVCRUOD-SNVBAGLBSA-N -1 0 360.392 -0.365 20 0 FBADRM CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)NCCNC(=O)[O-] ZINC000829673178 604406361 /nfs/dbraw/zinc/40/63/61/604406361.db2.gz HVEXAVCKQVGXQU-UHFFFAOYSA-N -1 0 361.351 -0.307 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000829673324 603141993 /nfs/dbraw/zinc/14/19/93/603141993.db2.gz JFCFGTLXOXMPHJ-LLVKDONJSA-N -1 0 350.418 -0.041 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000829673331 603141847 /nfs/dbraw/zinc/14/18/47/603141847.db2.gz JFCFGTLXOXMPHJ-NSHDSACASA-N -1 0 350.418 -0.041 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000829673512 604049247 /nfs/dbraw/zinc/04/92/47/604049247.db2.gz KKQILYYRKPBJLO-MNOVXSKESA-N -1 0 354.450 -0.032 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000829673738 661134303 /nfs/dbraw/zinc/13/43/03/661134303.db2.gz LGMGSKDEPSLDQY-UHFFFAOYSA-N -1 0 351.425 -0.263 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000829673944 603909762 /nfs/dbraw/zinc/90/97/62/603909762.db2.gz LUYOPHOUJKWFCY-UHFFFAOYSA-N -1 0 371.481 -0.974 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000829674004 661134429 /nfs/dbraw/zinc/13/44/29/661134429.db2.gz MPORWRGUMDUZFI-LLVKDONJSA-N -1 0 351.425 -0.263 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000829674006 661134388 /nfs/dbraw/zinc/13/43/88/661134388.db2.gz MPORWRGUMDUZFI-NSHDSACASA-N -1 0 351.425 -0.263 20 0 FBADRM CS(=O)(=O)CCNC(=O)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000829674192 604125944 /nfs/dbraw/zinc/12/59/44/604125944.db2.gz OQIPXDBREJTMPO-UHFFFAOYSA-N -1 0 351.425 -0.121 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)NC[C@H]1CCCCN1C(=O)[O-] ZINC000829674597 661134381 /nfs/dbraw/zinc/13/43/81/661134381.db2.gz RQYXZJNNYHHKLR-LLVKDONJSA-N -1 0 351.425 -0.121 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)NC[C@@H]1CCCCN1C(=O)[O-] ZINC000829674600 661134387 /nfs/dbraw/zinc/13/43/87/661134387.db2.gz RQYXZJNNYHHKLR-NSHDSACASA-N -1 0 351.425 -0.121 20 0 FBADRM CS(=O)(=O)CCN1CCC(NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000829675284 603890333 /nfs/dbraw/zinc/89/03/33/603890333.db2.gz VKTKWZFYBAWWNA-AWEZNQCLSA-N -1 0 365.427 -0.296 20 0 FBADRM CS(=O)(=O)CCN1CCC(NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000829675290 603890131 /nfs/dbraw/zinc/89/01/31/603890131.db2.gz VKTKWZFYBAWWNA-CQSZACIVSA-N -1 0 365.427 -0.296 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)NCc1ccc(CCNC(=O)[O-])cc1 ZINC000829675304 603112215 /nfs/dbraw/zinc/11/22/15/603112215.db2.gz VPZFRGMUXYJXOL-UHFFFAOYSA-N -1 0 364.445 -0.039 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000829675385 604163252 /nfs/dbraw/zinc/16/32/52/604163252.db2.gz WNQCVVPXYUOKRK-LLVKDONJSA-N -1 0 351.425 -0.263 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000829675389 604163531 /nfs/dbraw/zinc/16/35/31/604163531.db2.gz WNQCVVPXYUOKRK-NSHDSACASA-N -1 0 351.425 -0.263 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000829675521 604165295 /nfs/dbraw/zinc/16/52/95/604165295.db2.gz XPHYSZGOVCAMLB-UHFFFAOYSA-N -1 0 372.465 -0.501 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000829675525 605661062 /nfs/dbraw/zinc/66/10/62/605661062.db2.gz XQEOISQHXJEHHC-JTQLQIEISA-N -1 0 354.450 -0.351 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000829675535 605661031 /nfs/dbraw/zinc/66/10/31/605661031.db2.gz XQEOISQHXJEHHC-SNVBAGLBSA-N -1 0 354.450 -0.351 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)N1CCC(CNC(=O)[O-])CC1 ZINC000829675591 661134460 /nfs/dbraw/zinc/13/44/60/661134460.db2.gz ZHPDHSSWONHKCL-UHFFFAOYSA-N -1 0 351.425 -0.263 20 0 FBADRM CS(=O)(=O)Cc1nc(COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cs1 ZINC000829679074 603829254 /nfs/dbraw/zinc/82/92/54/603829254.db2.gz FJVBYECUNTVVGU-BDAKNGLRSA-N -1 0 364.401 -0.156 20 0 FBADRM CS(=O)(=O)Cc1nc(COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cs1 ZINC000829679075 603829019 /nfs/dbraw/zinc/82/90/19/603829019.db2.gz FJVBYECUNTVVGU-DTWKUNHWSA-N -1 0 364.401 -0.156 20 0 FBADRM CS(=O)(=O)Cc1nc(COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cs1 ZINC000829679076 603829027 /nfs/dbraw/zinc/82/90/27/603829027.db2.gz FJVBYECUNTVVGU-IUCAKERBSA-N -1 0 364.401 -0.156 20 0 FBADRM CS(=O)(=O)Cc1nc(COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cs1 ZINC000829679077 603829545 /nfs/dbraw/zinc/82/95/45/603829545.db2.gz FJVBYECUNTVVGU-RKDXNWHRSA-N -1 0 364.401 -0.156 20 0 FBADRM CS(=O)(=O)Cc1cccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000829679084 603714825 /nfs/dbraw/zinc/71/48/25/603714825.db2.gz FPTVFHGOZXRBOR-CHWSQXEVSA-N -1 0 356.400 -0.039 20 0 FBADRM CS(=O)(=O)Cc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000829679085 603714612 /nfs/dbraw/zinc/71/46/12/603714612.db2.gz FPTVFHGOZXRBOR-OLZOCXBDSA-N -1 0 356.400 -0.039 20 0 FBADRM CS(=O)(=O)Cc1cccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000829679086 603714828 /nfs/dbraw/zinc/71/48/28/603714828.db2.gz FPTVFHGOZXRBOR-QWHCGFSZSA-N -1 0 356.400 -0.039 20 0 FBADRM CS(=O)(=O)Cc1cccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000829679087 603714521 /nfs/dbraw/zinc/71/45/21/603714521.db2.gz FPTVFHGOZXRBOR-STQMWFEESA-N -1 0 356.400 -0.039 20 0 FBADRM CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NCCNC(=O)[O-])cc1F ZINC000829679369 604330318 /nfs/dbraw/zinc/33/03/18/604330318.db2.gz LZTCCUKTVSVLBQ-UHFFFAOYSA-N -1 0 361.351 -0.307 20 0 FBADRM CS(=O)(=O)Cc1ccccc1CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000829679815 603467731 /nfs/dbraw/zinc/46/77/31/603467731.db2.gz SKMWEDVGRYOODU-CHWSQXEVSA-N -1 0 356.400 -0.039 20 0 FBADRM CS(=O)(=O)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000829679817 603467704 /nfs/dbraw/zinc/46/77/04/603467704.db2.gz SKMWEDVGRYOODU-OLZOCXBDSA-N -1 0 356.400 -0.039 20 0 FBADRM CS(=O)(=O)Cc1ccccc1CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000829679819 603467763 /nfs/dbraw/zinc/46/77/63/603467763.db2.gz SKMWEDVGRYOODU-QWHCGFSZSA-N -1 0 356.400 -0.039 20 0 FBADRM CS(=O)(=O)Cc1ccccc1CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000829679820 603467835 /nfs/dbraw/zinc/46/78/35/603467835.db2.gz SKMWEDVGRYOODU-STQMWFEESA-N -1 0 356.400 -0.039 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC000829679951 601773155 /nfs/dbraw/zinc/77/31/55/601773155.db2.gz KGRWYLZXOGQNGS-LLVKDONJSA-N -1 0 371.481 -0.759 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC000829679952 601773248 /nfs/dbraw/zinc/77/32/48/601773248.db2.gz KGRWYLZXOGQNGS-NSHDSACASA-N -1 0 371.481 -0.759 20 0 FBADRM CS(=O)(=O)N1CCCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])CC1 ZINC000829682339 605606694 /nfs/dbraw/zinc/60/66/94/605606694.db2.gz ACEFCKWMZWUTIY-LLVKDONJSA-N -1 0 365.477 -0.034 20 0 FBADRM CS(=O)(=O)N1CCCN(C(=O)C[C@H]2CSCCN2C(=O)[O-])CC1 ZINC000829682344 605606660 /nfs/dbraw/zinc/60/66/60/605606660.db2.gz ACEFCKWMZWUTIY-NSHDSACASA-N -1 0 365.477 -0.034 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])CC1 ZINC000829682345 604371782 /nfs/dbraw/zinc/37/17/82/604371782.db2.gz ADJKEMPYHSWFMA-YHWZYXNKSA-N -1 0 374.463 -0.647 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])CC1 ZINC000829682403 604325498 /nfs/dbraw/zinc/32/54/98/604325498.db2.gz BYVCVGARECFKFU-NEPJUHHUSA-N -1 0 362.452 -0.884 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])CC1 ZINC000829682404 604325698 /nfs/dbraw/zinc/32/56/98/604325698.db2.gz BYVCVGARECFKFU-NWDGAFQWSA-N -1 0 362.452 -0.884 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])CC1 ZINC000829682405 604325745 /nfs/dbraw/zinc/32/57/45/604325745.db2.gz BYVCVGARECFKFU-RYUDHWBXSA-N -1 0 362.452 -0.884 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])CC1 ZINC000829682406 604325442 /nfs/dbraw/zinc/32/54/42/604325442.db2.gz BYVCVGARECFKFU-VXGBXAGGSA-N -1 0 362.452 -0.884 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)NCC2CCN(C(=O)[O-])CC2)CC1 ZINC000829682407 604322262 /nfs/dbraw/zinc/32/22/62/604322262.db2.gz CCZBPWYWEXSKOD-UHFFFAOYSA-N -1 0 362.452 -0.930 20 0 FBADRM CS(=O)(=O)Cc1noc(COC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)n1 ZINC000829682427 605225066 /nfs/dbraw/zinc/22/50/66/605225066.db2.gz CRQACDYZZAUJGK-MRVPVSSYSA-N -1 0 363.348 -0.574 20 0 FBADRM CS(=O)(=O)Cc1noc(COC(=O)C[C@H]2CN(C(=O)[O-])CCO2)n1 ZINC000829682428 605225503 /nfs/dbraw/zinc/22/55/03/605225503.db2.gz CRQACDYZZAUJGK-QMMMGPOBSA-N -1 0 363.348 -0.574 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)Nc2ccc(NC(=O)[O-])nc2)CC1 ZINC000829682440 604322157 /nfs/dbraw/zinc/32/21/57/604322157.db2.gz CXEJUYGQBRPNBL-UHFFFAOYSA-N -1 0 357.392 -0.313 20 0 FBADRM CS(=O)(=O)NC1(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CCCCC1 ZINC000829682566 603643998 /nfs/dbraw/zinc/64/39/98/603643998.db2.gz DULAKQGHVFTZRU-GHMZBOCLSA-N -1 0 363.436 -0.532 20 0 FBADRM CS(=O)(=O)NC1(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CCCCC1 ZINC000829682567 603643738 /nfs/dbraw/zinc/64/37/38/603643738.db2.gz DULAKQGHVFTZRU-MNOVXSKESA-N -1 0 363.436 -0.532 20 0 FBADRM CS(=O)(=O)NC1(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CCCCC1 ZINC000829682568 603644004 /nfs/dbraw/zinc/64/40/04/603644004.db2.gz DULAKQGHVFTZRU-QWRGUYRKSA-N -1 0 363.436 -0.532 20 0 FBADRM CS(=O)(=O)NC1(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CCCCC1 ZINC000829682569 603643565 /nfs/dbraw/zinc/64/35/65/603643565.db2.gz DULAKQGHVFTZRU-WDEREUQCSA-N -1 0 363.436 -0.532 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000829682572 604359263 /nfs/dbraw/zinc/35/92/63/604359263.db2.gz DVHDKSCYTWDQBO-GFCCVEGCSA-N -1 0 362.452 -0.930 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000829682573 604359259 /nfs/dbraw/zinc/35/92/59/604359259.db2.gz DVHDKSCYTWDQBO-LBPRGKRZSA-N -1 0 362.452 -0.930 20 0 FBADRM CS(=O)(=O)NC1(CNC(=O)COC2CN(C(=O)[O-])C2)CCCCC1 ZINC000829682596 603971291 /nfs/dbraw/zinc/97/12/91/603971291.db2.gz FDBUHOZJUIBPCC-UHFFFAOYSA-N -1 0 363.436 -0.267 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])CC1 ZINC000829682643 604327177 /nfs/dbraw/zinc/32/71/77/604327177.db2.gz GHZKJMVXBSFUFY-OLZOCXBDSA-N -1 0 374.463 -0.693 20 0 FBADRM CS(=O)(=O)N1CCCN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)CC1 ZINC000829682755 603584229 /nfs/dbraw/zinc/58/42/29/603584229.db2.gz GOUOOYJIWBEEHG-UHFFFAOYSA-N -1 0 360.436 -0.877 20 0 FBADRM CS(=O)(=O)Cc1noc(COC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)n1 ZINC000829682847 603794880 /nfs/dbraw/zinc/79/48/80/603794880.db2.gz IKNDHXSXTJCPFF-LLVKDONJSA-N -1 0 351.312 -0.251 20 0 FBADRM CS(=O)(=O)Cc1noc(COC(=O)[C@]2(F)CCN(C(=O)[O-])C2)n1 ZINC000829682850 603794701 /nfs/dbraw/zinc/79/47/01/603794701.db2.gz IKNDHXSXTJCPFF-NSHDSACASA-N -1 0 351.312 -0.251 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)Nc2cccc(CNC(=O)[O-])c2)CC1 ZINC000829682873 604345407 /nfs/dbraw/zinc/34/54/07/604345407.db2.gz JAUVUIJWAAQWGI-UHFFFAOYSA-N -1 0 370.431 -0.030 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)c2ccc(CNC(=O)[O-])o2)CC1 ZINC000829682875 603396844 /nfs/dbraw/zinc/39/68/44/603396844.db2.gz JBEBWWSJVSZGIT-UHFFFAOYSA-N -1 0 374.419 -0.646 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N2CCC(CNC(=O)[O-])CC2)CC1 ZINC000829683030 604354891 /nfs/dbraw/zinc/35/48/91/604354891.db2.gz LIYNCKXOGYOIAQ-UHFFFAOYSA-N -1 0 362.452 -0.930 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000829683068 604322532 /nfs/dbraw/zinc/32/25/32/604322532.db2.gz MSRXXFWGYGQEPQ-GFCCVEGCSA-N -1 0 362.452 -0.930 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000829683069 604322604 /nfs/dbraw/zinc/32/26/04/604322604.db2.gz MSRXXFWGYGQEPQ-LBPRGKRZSA-N -1 0 362.452 -0.930 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)CN(CC2CC2)C(=O)[O-])CC1 ZINC000829683180 603396503 /nfs/dbraw/zinc/39/65/03/603396503.db2.gz OKSCUAQZVLKRTQ-UHFFFAOYSA-N -1 0 362.452 -0.930 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000829683215 603737446 /nfs/dbraw/zinc/73/74/46/603737446.db2.gz PNHXPNQRKJFRAL-BREBYQMCSA-N -1 0 351.400 -0.088 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000829683221 603737792 /nfs/dbraw/zinc/73/77/92/603737792.db2.gz PNHXPNQRKJFRAL-CWSCBRNRSA-N -1 0 351.400 -0.088 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000829683223 603737397 /nfs/dbraw/zinc/73/73/97/603737397.db2.gz PNHXPNQRKJFRAL-GIPNMCIBSA-N -1 0 351.400 -0.088 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000829683225 603737756 /nfs/dbraw/zinc/73/77/56/603737756.db2.gz PNHXPNQRKJFRAL-OPQQBVKSSA-N -1 0 351.400 -0.088 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)NC2(CNC(=O)[O-])CCCC2)CC1 ZINC000829683294 604323278 /nfs/dbraw/zinc/32/32/78/604323278.db2.gz QGLXBCYAXJRWII-UHFFFAOYSA-N -1 0 362.452 -0.740 20 0 FBADRM CS(=O)(=O)N1CCC(NC(=O)CN2CCC(NC(=O)[O-])CC2)CC1 ZINC000829683369 605606166 /nfs/dbraw/zinc/60/61/66/605606166.db2.gz QNQGCQSPPIKSTF-UHFFFAOYSA-N -1 0 362.452 -0.741 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000829683376 603513369 /nfs/dbraw/zinc/51/33/69/603513369.db2.gz QSOVQTFYSJTZKV-NEPJUHHUSA-N -1 0 362.452 -0.884 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000829683379 603513637 /nfs/dbraw/zinc/51/36/37/603513637.db2.gz QSOVQTFYSJTZKV-NWDGAFQWSA-N -1 0 362.452 -0.884 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000829683382 603513488 /nfs/dbraw/zinc/51/34/88/603513488.db2.gz QSOVQTFYSJTZKV-RYUDHWBXSA-N -1 0 362.452 -0.884 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000829683386 603513745 /nfs/dbraw/zinc/51/37/45/603513745.db2.gz QSOVQTFYSJTZKV-VXGBXAGGSA-N -1 0 362.452 -0.884 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)NC2CCC(NC(=O)[O-])CC2)CC1 ZINC000829683389 604371767 /nfs/dbraw/zinc/37/17/67/604371767.db2.gz QSVXBDLOJXITKM-UHFFFAOYSA-N -1 0 362.452 -0.741 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)C[C@H]2CCCN2C(=O)[O-])CC1 ZINC000829683465 603396547 /nfs/dbraw/zinc/39/65/47/603396547.db2.gz SKYXICNDBNYNMR-GFCCVEGCSA-N -1 0 362.452 -0.788 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)C[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000829683466 603396785 /nfs/dbraw/zinc/39/67/85/603396785.db2.gz SKYXICNDBNYNMR-LBPRGKRZSA-N -1 0 362.452 -0.788 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)NC[C@H]2CCCCN2C(=O)[O-])CC1 ZINC000829683478 604320634 /nfs/dbraw/zinc/32/06/34/604320634.db2.gz SSERKSUGGINCBU-GFCCVEGCSA-N -1 0 362.452 -0.788 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)NC[C@@H]2CCCCN2C(=O)[O-])CC1 ZINC000829683479 604320703 /nfs/dbraw/zinc/32/07/03/604320703.db2.gz SSERKSUGGINCBU-LBPRGKRZSA-N -1 0 362.452 -0.788 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000829683511 605466107 /nfs/dbraw/zinc/46/61/07/605466107.db2.gz UDQMSUKAGIJCBC-CYBMUJFWSA-N -1 0 374.463 -0.693 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N(C2CC2)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000829683512 605466506 /nfs/dbraw/zinc/46/65/06/605466506.db2.gz UDQMSUKAGIJCBC-ZDUSSCGKSA-N -1 0 374.463 -0.693 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000829683513 605279880 /nfs/dbraw/zinc/27/98/80/605279880.db2.gz UESSCFLBGWLJKQ-NEPJUHHUSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000829683514 605280053 /nfs/dbraw/zinc/28/00/53/605280053.db2.gz UESSCFLBGWLJKQ-NWDGAFQWSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000829683515 605279813 /nfs/dbraw/zinc/27/98/13/605279813.db2.gz UESSCFLBGWLJKQ-RYUDHWBXSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000829683516 605279908 /nfs/dbraw/zinc/27/99/08/605279908.db2.gz UESSCFLBGWLJKQ-VXGBXAGGSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N2CCC[C@H](CNC(=O)[O-])C2)CC1 ZINC000829683595 604346105 /nfs/dbraw/zinc/34/61/05/604346105.db2.gz VYAFSYTYZOVCIS-GFCCVEGCSA-N -1 0 362.452 -0.930 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)CC1 ZINC000829683596 604346373 /nfs/dbraw/zinc/34/63/73/604346373.db2.gz VYAFSYTYZOVCIS-LBPRGKRZSA-N -1 0 362.452 -0.930 20 0 FBADRM CS(=O)(=O)N1CCC(CNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000829683597 604794871 /nfs/dbraw/zinc/79/48/71/604794871.db2.gz VYXBHRNZEIVICE-GFCCVEGCSA-N -1 0 363.436 -0.457 20 0 FBADRM CS(=O)(=O)N1CCC(CNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000829683598 604794950 /nfs/dbraw/zinc/79/49/50/604794950.db2.gz VYXBHRNZEIVICE-LBPRGKRZSA-N -1 0 363.436 -0.457 20 0 FBADRM CS(=O)(=O)N1CCC(CNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000829683607 603868515 /nfs/dbraw/zinc/86/85/15/603868515.db2.gz WAQPKDUDMDNFBV-CYBMUJFWSA-N -1 0 351.400 -0.134 20 0 FBADRM CS(=O)(=O)N1CCC(CNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000829683608 603868135 /nfs/dbraw/zinc/86/81/35/603868135.db2.gz WAQPKDUDMDNFBV-ZDUSSCGKSA-N -1 0 351.400 -0.134 20 0 FBADRM CS(=O)(=O)N1CCC(NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000829683626 605250402 /nfs/dbraw/zinc/25/04/02/605250402.db2.gz WPQVRPFJILWITQ-GFCCVEGCSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)N1CCC(NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000829683627 605250061 /nfs/dbraw/zinc/25/00/61/605250061.db2.gz WPQVRPFJILWITQ-LBPRGKRZSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)N1CCCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000829683640 605253961 /nfs/dbraw/zinc/25/39/61/605253961.db2.gz WXGQADODXKKDHY-GFCCVEGCSA-N -1 0 363.436 -0.361 20 0 FBADRM CS(=O)(=O)N1CCCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000829683641 605253943 /nfs/dbraw/zinc/25/39/43/605253943.db2.gz WXGQADODXKKDHY-LBPRGKRZSA-N -1 0 363.436 -0.361 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)Oc2cccc(CNC(=O)[O-])c2)CC1 ZINC000829683642 604322282 /nfs/dbraw/zinc/32/22/82/604322282.db2.gz WYHJMGOTKTWXKT-UHFFFAOYSA-N -1 0 371.415 -0.063 20 0 FBADRM CS(=O)(=O)NC1(CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)CCCCC1 ZINC000829683655 604671921 /nfs/dbraw/zinc/67/19/21/604671921.db2.gz XEUXOMCAXRECEF-LLVKDONJSA-N -1 0 363.436 -0.267 20 0 FBADRM CS(=O)(=O)NC1(CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCCCC1 ZINC000829683656 604672202 /nfs/dbraw/zinc/67/22/02/604672202.db2.gz XEUXOMCAXRECEF-NSHDSACASA-N -1 0 363.436 -0.267 20 0 FBADRM CS(=O)(=O)N1CCCN(C(=O)CN2CCC(NC(=O)[O-])CC2)CC1 ZINC000829683659 605607942 /nfs/dbraw/zinc/60/79/42/605607942.db2.gz XFWVVFDURNWGOM-UHFFFAOYSA-N -1 0 362.452 -0.788 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N2CCCC[C@@H]2CNC(=O)[O-])CC1 ZINC000829683669 604322211 /nfs/dbraw/zinc/32/22/11/604322211.db2.gz XUVUSMPFDMTOID-GFCCVEGCSA-N -1 0 362.452 -0.788 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N2CCCC[C@H]2CNC(=O)[O-])CC1 ZINC000829683670 604322612 /nfs/dbraw/zinc/32/26/12/604322612.db2.gz XUVUSMPFDMTOID-LBPRGKRZSA-N -1 0 362.452 -0.788 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)C[C@H]2CSCCN2C(=O)[O-])CC1 ZINC000829683746 605585764 /nfs/dbraw/zinc/58/57/64/605585764.db2.gz YFJORUFHDCROPW-JTQLQIEISA-N -1 0 351.450 -0.424 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])CC1 ZINC000829683747 605585800 /nfs/dbraw/zinc/58/58/00/605585800.db2.gz YFJORUFHDCROPW-SNVBAGLBSA-N -1 0 351.450 -0.424 20 0 FBADRM CS(=O)(=O)N1CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])CC1 ZINC000829683917 603398749 /nfs/dbraw/zinc/39/87/49/603398749.db2.gz YTNDKOLWTYIOBC-GJZGRUSLSA-N -1 0 371.459 -0.197 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])CC1 ZINC000829683928 603886071 /nfs/dbraw/zinc/88/60/71/603886071.db2.gz ZBDDKSHVUMXOCU-YOGCLGLASA-N -1 0 360.436 -0.053 20 0 FBADRM CS(=O)(=O)Cc1noc(NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)n1 ZINC000829683937 605732902 /nfs/dbraw/zinc/73/29/02/605732902.db2.gz ZCYWRRAWPZXZRS-MRVPVSSYSA-N -1 0 362.364 -0.288 20 0 FBADRM CS(=O)(=O)Cc1noc(NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)n1 ZINC000829683938 605732733 /nfs/dbraw/zinc/73/27/33/605732733.db2.gz ZCYWRRAWPZXZRS-QMMMGPOBSA-N -1 0 362.364 -0.288 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)CC2(NC(=O)[O-])CCC2)CC1 ZINC000829683963 604118061 /nfs/dbraw/zinc/11/80/61/604118061.db2.gz ZKFDKNZQYSOBKC-UHFFFAOYSA-N -1 0 362.452 -0.740 20 0 FBADRM CS(=O)(=O)NCCCNC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000829686531 603692861 /nfs/dbraw/zinc/69/28/61/603692861.db2.gz CDTDPJKZWMJIBG-UHFFFAOYSA-N -1 0 372.403 -0.552 20 0 FBADRM CS(=O)(=O)NCCC(=O)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000829686580 604075221 /nfs/dbraw/zinc/07/52/21/604075221.db2.gz CLCRYVLARAFTNI-UHFFFAOYSA-N -1 0 351.425 -0.409 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000829686678 605262779 /nfs/dbraw/zinc/26/27/79/605262779.db2.gz FFVDSVIURXPGIA-NEPJUHHUSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000829686680 605262613 /nfs/dbraw/zinc/26/26/13/605262613.db2.gz FFVDSVIURXPGIA-NWDGAFQWSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000829686682 605262902 /nfs/dbraw/zinc/26/29/02/605262902.db2.gz FFVDSVIURXPGIA-RYUDHWBXSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000829686684 605262646 /nfs/dbraw/zinc/26/26/46/605262646.db2.gz FFVDSVIURXPGIA-VXGBXAGGSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)NCc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000829686811 603815462 /nfs/dbraw/zinc/81/54/62/603815462.db2.gz FUMQELVNIZXYBY-NEPJUHHUSA-N -1 0 357.388 -0.213 20 0 FBADRM CS(=O)(=O)NCc1ccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000829686812 603815586 /nfs/dbraw/zinc/81/55/86/603815586.db2.gz FUMQELVNIZXYBY-NWDGAFQWSA-N -1 0 357.388 -0.213 20 0 FBADRM CS(=O)(=O)NCc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000829686813 603815534 /nfs/dbraw/zinc/81/55/34/603815534.db2.gz FUMQELVNIZXYBY-RYUDHWBXSA-N -1 0 357.388 -0.213 20 0 FBADRM CS(=O)(=O)NCc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000829686814 603815594 /nfs/dbraw/zinc/81/55/94/603815594.db2.gz FUMQELVNIZXYBY-VXGBXAGGSA-N -1 0 357.388 -0.213 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@@H]1CSCN1C(=O)[O-] ZINC000829686824 603737435 /nfs/dbraw/zinc/73/74/35/603737435.db2.gz GBFFCOSVNGQYNS-AEJSXWLSSA-N -1 0 351.450 -0.127 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1CSCN1C(=O)[O-] ZINC000829686826 603737719 /nfs/dbraw/zinc/73/77/19/603737719.db2.gz GBFFCOSVNGQYNS-BBBLOLIVSA-N -1 0 351.450 -0.127 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000829686828 603737507 /nfs/dbraw/zinc/73/75/07/603737507.db2.gz GBFFCOSVNGQYNS-IVZWLZJFSA-N -1 0 351.450 -0.127 20 0 FBADRM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000829686830 603737386 /nfs/dbraw/zinc/73/73/86/603737386.db2.gz GBFFCOSVNGQYNS-KXUCPTDWSA-N -1 0 351.450 -0.127 20 0 FBADRM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000829686832 603737636 /nfs/dbraw/zinc/73/76/36/603737636.db2.gz GBFFCOSVNGQYNS-LPEHRKFASA-N -1 0 351.450 -0.127 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000829686833 603737442 /nfs/dbraw/zinc/73/74/42/603737442.db2.gz GBFFCOSVNGQYNS-OPRDCNLKSA-N -1 0 351.450 -0.127 20 0 FBADRM CS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000829686835 604028232 /nfs/dbraw/zinc/02/82/32/604028232.db2.gz GFWHQXSXGRMLPY-UHFFFAOYSA-N -1 0 370.387 -0.669 20 0 FBADRM CS(=O)(=O)NC1CCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000829686906 605248298 /nfs/dbraw/zinc/24/82/98/605248298.db2.gz GSKJLGZIQIYOFJ-GFCCVEGCSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)NC1CCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000829686907 605248712 /nfs/dbraw/zinc/24/87/12/605248712.db2.gz GSKJLGZIQIYOFJ-LBPRGKRZSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)CN2CCC(NC(=O)[O-])CC2)C1 ZINC000829686947 661134347 /nfs/dbraw/zinc/13/43/47/661134347.db2.gz HMHLQIHSAMOBJN-GFCCVEGCSA-N -1 0 362.452 -0.741 20 0 FBADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)CN2CCC(NC(=O)[O-])CC2)C1 ZINC000829686948 661134476 /nfs/dbraw/zinc/13/44/76/661134476.db2.gz HMHLQIHSAMOBJN-LBPRGKRZSA-N -1 0 362.452 -0.741 20 0 FBADRM CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)COC1CN(C(=O)[O-])C1 ZINC000829687172 603981186 /nfs/dbraw/zinc/98/11/86/603981186.db2.gz ITUFPHYSUKYYNG-LLVKDONJSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)COC1CN(C(=O)[O-])C1 ZINC000829687175 603981306 /nfs/dbraw/zinc/98/13/06/603981306.db2.gz ITUFPHYSUKYYNG-NSHDSACASA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C2(NC(=O)[O-])Cc3ccccc3C2)C1 ZINC000829687217 603813789 /nfs/dbraw/zinc/81/37/89/603813789.db2.gz JCMNHXDKZSSFFQ-CYBMUJFWSA-N -1 0 367.427 -0.058 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C2(NC(=O)[O-])Cc3ccccc3C2)C1 ZINC000829687223 603813545 /nfs/dbraw/zinc/81/35/45/603813545.db2.gz JCMNHXDKZSSFFQ-ZDUSSCGKSA-N -1 0 367.427 -0.058 20 0 FBADRM CS(=O)(=O)NCCCNC(=O)C1(NC(=O)[O-])Cc2ccccc2C1 ZINC000829687271 603648888 /nfs/dbraw/zinc/64/88/88/603648888.db2.gz JXGSLWSOEUTATB-UHFFFAOYSA-N -1 0 355.416 -0.153 20 0 FBADRM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000829687452 603841858 /nfs/dbraw/zinc/84/18/58/603841858.db2.gz LJXBXAMHEUMACG-GWCFXTLKSA-N -1 0 351.400 -0.134 20 0 FBADRM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000829687456 603842077 /nfs/dbraw/zinc/84/20/77/603842077.db2.gz LJXBXAMHEUMACG-GXFFZTMASA-N -1 0 351.400 -0.134 20 0 FBADRM CS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000829687459 603841604 /nfs/dbraw/zinc/84/16/04/603841604.db2.gz LJXBXAMHEUMACG-MFKMUULPSA-N -1 0 351.400 -0.134 20 0 FBADRM CS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000829687461 603841541 /nfs/dbraw/zinc/84/15/41/603841541.db2.gz LJXBXAMHEUMACG-ZWNOBZJWSA-N -1 0 351.400 -0.134 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000829687610 604288191 /nfs/dbraw/zinc/28/81/91/604288191.db2.gz LYTAXISZKFNVTC-GRYCIOLGSA-N -1 0 363.436 -0.411 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000829687612 604288155 /nfs/dbraw/zinc/28/81/55/604288155.db2.gz LYTAXISZKFNVTC-IJLUTSLNSA-N -1 0 363.436 -0.411 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000829687614 604288220 /nfs/dbraw/zinc/28/82/20/604288220.db2.gz LYTAXISZKFNVTC-QJPTWQEYSA-N -1 0 363.436 -0.411 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000829687616 604288090 /nfs/dbraw/zinc/28/80/90/604288090.db2.gz LYTAXISZKFNVTC-SDDRHHMPSA-N -1 0 363.436 -0.411 20 0 FBADRM CS(=O)(=O)NCc1ccc(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)o1 ZINC000829687622 604025519 /nfs/dbraw/zinc/02/55/19/604025519.db2.gz LZSWQFAOBSLZNO-LLVKDONJSA-N -1 0 360.344 -0.193 20 0 FBADRM CS(=O)(=O)NCc1ccc(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)o1 ZINC000829687625 604025940 /nfs/dbraw/zinc/02/59/40/604025940.db2.gz LZSWQFAOBSLZNO-NSHDSACASA-N -1 0 360.344 -0.193 20 0 FBADRM CS(=O)(=O)NC[C@H]1CCCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000829687819 604708218 /nfs/dbraw/zinc/70/82/18/604708218.db2.gz NNFZNWBAHAJLIA-NEPJUHHUSA-N -1 0 363.436 -0.457 20 0 FBADRM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000829687820 604707856 /nfs/dbraw/zinc/70/78/56/604707856.db2.gz NNFZNWBAHAJLIA-NWDGAFQWSA-N -1 0 363.436 -0.457 20 0 FBADRM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000829687821 604707898 /nfs/dbraw/zinc/70/78/98/604707898.db2.gz NNFZNWBAHAJLIA-RYUDHWBXSA-N -1 0 363.436 -0.457 20 0 FBADRM CS(=O)(=O)NC[C@H]1CCCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000829687822 604708368 /nfs/dbraw/zinc/70/83/68/604708368.db2.gz NNFZNWBAHAJLIA-VXGBXAGGSA-N -1 0 363.436 -0.457 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])C1 ZINC000829688231 605654730 /nfs/dbraw/zinc/65/47/30/605654730.db2.gz QCJISEZOHRSDNY-NXEZZACHSA-N -1 0 351.450 -0.378 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C[C@H]2CSCCN2C(=O)[O-])C1 ZINC000829688232 605654523 /nfs/dbraw/zinc/65/45/23/605654523.db2.gz QCJISEZOHRSDNY-UWVGGRQHSA-N -1 0 351.450 -0.378 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])C1 ZINC000829688233 605654487 /nfs/dbraw/zinc/65/44/87/605654487.db2.gz QCJISEZOHRSDNY-VHSXEESVSA-N -1 0 351.450 -0.378 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C[C@H]2CSCCN2C(=O)[O-])C1 ZINC000829688234 605654602 /nfs/dbraw/zinc/65/46/02/605654602.db2.gz QCJISEZOHRSDNY-ZJUUUORDSA-N -1 0 351.450 -0.378 20 0 FBADRM CS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000829688292 603691148 /nfs/dbraw/zinc/69/11/48/603691148.db2.gz RHLOGYIVZINNKW-UHFFFAOYSA-N -1 0 358.376 -0.942 20 0 FBADRM CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000829688475 604727828 /nfs/dbraw/zinc/72/78/28/604727828.db2.gz SAUDEARXRCGWOX-NEPJUHHUSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000829688476 604728214 /nfs/dbraw/zinc/72/82/14/604728214.db2.gz SAUDEARXRCGWOX-NWDGAFQWSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000829688477 604728124 /nfs/dbraw/zinc/72/81/24/604728124.db2.gz SAUDEARXRCGWOX-RYUDHWBXSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000829688478 604728334 /nfs/dbraw/zinc/72/83/34/604728334.db2.gz SAUDEARXRCGWOX-VXGBXAGGSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)NC[C@H]1CCCCN1C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000829688492 604697435 /nfs/dbraw/zinc/69/74/35/604697435.db2.gz SFHCJFVQFZLDJQ-NEPJUHHUSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000829688494 604697414 /nfs/dbraw/zinc/69/74/14/604697414.db2.gz SFHCJFVQFZLDJQ-NWDGAFQWSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000829688495 604697359 /nfs/dbraw/zinc/69/73/59/604697359.db2.gz SFHCJFVQFZLDJQ-RYUDHWBXSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)NC[C@H]1CCCCN1C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000829688498 604697607 /nfs/dbraw/zinc/69/76/07/604697607.db2.gz SFHCJFVQFZLDJQ-VXGBXAGGSA-N -1 0 363.436 -0.314 20 0 FBADRM CS(=O)(=O)NCCNC(=S)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000829688720 603876036 /nfs/dbraw/zinc/87/60/36/603876036.db2.gz UXGYJPHCZLOGRA-ZJUUUORDSA-N -1 0 350.466 -0.373 20 0 FBADRM CS(=O)(=O)NCc1ccc(C(=O)NCCN2CCN(C(=O)[O-])CC2)o1 ZINC000829688847 603915654 /nfs/dbraw/zinc/91/56/54/603915654.db2.gz WUHAAEMVNVIOQY-UHFFFAOYSA-N -1 0 374.419 -0.646 20 0 FBADRM CS(=O)(=O)NC[C@H]1CCCN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)C1 ZINC000829688923 603586327 /nfs/dbraw/zinc/58/63/27/603586327.db2.gz XMTAONUCCSHAEV-GFCCVEGCSA-N -1 0 374.463 -0.583 20 0 FBADRM CS(=O)(=O)NC[C@@H]1CCCN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)C1 ZINC000829688924 603586374 /nfs/dbraw/zinc/58/63/74/603586374.db2.gz XMTAONUCCSHAEV-LBPRGKRZSA-N -1 0 374.463 -0.583 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])C1 ZINC000829688945 603883545 /nfs/dbraw/zinc/88/35/45/603883545.db2.gz YAJPECIJOPDWEW-WAAKLRNESA-N -1 0 360.436 -0.007 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])C1 ZINC000829688946 603883657 /nfs/dbraw/zinc/88/36/57/603883657.db2.gz YAJPECIJOPDWEW-YEJSDXFRSA-N -1 0 360.436 -0.007 20 0 FBADRM CS(=O)(=O)NCCNC(=O)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000829688957 604134559 /nfs/dbraw/zinc/13/45/59/604134559.db2.gz YFNPCEBTLZXDDT-UHFFFAOYSA-N -1 0 366.440 -0.616 20 0 FBADRM CS(=O)(=O)Nc1ccc(C(=O)Cn2nnnc2CNC(=O)[O-])cc1 ZINC000829691335 605175668 /nfs/dbraw/zinc/17/56/68/605175668.db2.gz CFWFOVSSYVWEFJ-UHFFFAOYSA-N -1 0 354.348 -0.305 20 0 FBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCNC(=O)[O-])cc1F ZINC000829691340 605355056 /nfs/dbraw/zinc/35/50/56/605355056.db2.gz CQFQHIRAWKJVOO-UHFFFAOYSA-N -1 0 355.369 -0.257 20 0 FBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)NC2CN(C(=O)[O-])C2)cc1F ZINC000829691506 605354741 /nfs/dbraw/zinc/35/47/41/605354741.db2.gz KHKQUBUFFOUDPB-UHFFFAOYSA-N -1 0 367.380 -0.162 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)NC2CN(C(=O)[O-])C2)ccc1F ZINC000829691526 604414099 /nfs/dbraw/zinc/41/40/99/604414099.db2.gz KXGSYFGGYKFIEF-UHFFFAOYSA-N -1 0 352.365 -0.130 20 0 FBADRM CS(=O)(=O)Nc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000829691625 603663790 /nfs/dbraw/zinc/66/37/90/603663790.db2.gz NLHHQAQUMOQFMF-NEPJUHHUSA-N -1 0 357.388 -0.213 20 0 FBADRM CS(=O)(=O)Nc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000829691626 603663728 /nfs/dbraw/zinc/66/37/28/603663728.db2.gz NLHHQAQUMOQFMF-NWDGAFQWSA-N -1 0 357.388 -0.213 20 0 FBADRM CS(=O)(=O)Nc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000829691627 603663783 /nfs/dbraw/zinc/66/37/83/603663783.db2.gz NLHHQAQUMOQFMF-RYUDHWBXSA-N -1 0 357.388 -0.213 20 0 FBADRM CS(=O)(=O)Nc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000829691628 603663780 /nfs/dbraw/zinc/66/37/80/603663780.db2.gz NLHHQAQUMOQFMF-VXGBXAGGSA-N -1 0 357.388 -0.213 20 0 FBADRM CS(=O)(=O)Nc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000829691670 603642010 /nfs/dbraw/zinc/64/20/10/603642010.db2.gz OSHUUXCYKYQCSJ-NEPJUHHUSA-N -1 0 357.388 -0.213 20 0 FBADRM CS(=O)(=O)Nc1cccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000829691671 603642281 /nfs/dbraw/zinc/64/22/81/603642281.db2.gz OSHUUXCYKYQCSJ-NWDGAFQWSA-N -1 0 357.388 -0.213 20 0 FBADRM CS(=O)(=O)Nc1cccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000829691672 603641956 /nfs/dbraw/zinc/64/19/56/603641956.db2.gz OSHUUXCYKYQCSJ-RYUDHWBXSA-N -1 0 357.388 -0.213 20 0 FBADRM CS(=O)(=O)Nc1cccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000829691673 603642434 /nfs/dbraw/zinc/64/24/34/603642434.db2.gz OSHUUXCYKYQCSJ-VXGBXAGGSA-N -1 0 357.388 -0.213 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)Cn2nnnc2CNC(=O)[O-])cc1 ZINC000829695109 604033008 /nfs/dbraw/zinc/03/30/08/604033008.db2.gz ACMHEQZQEPIFGI-UHFFFAOYSA-N -1 0 354.348 -0.517 20 0 FBADRM CS(=O)(=O)c1cccc(NC(=O)Cn2nnnc2CNC(=O)[O-])c1 ZINC000829695196 605177626 /nfs/dbraw/zinc/17/76/26/605177626.db2.gz DCKAKGASCLUVIP-UHFFFAOYSA-N -1 0 354.348 -0.517 20 0 FBADRM CS(=O)(=O)c1ccc(CNC(=O)Cn2nnnc2CNC(=O)[O-])cc1 ZINC000829695345 605177854 /nfs/dbraw/zinc/17/78/54/605177854.db2.gz GBWSQGBTUBLDNY-UHFFFAOYSA-N -1 0 368.375 -0.839 20 0 FBADRM CS(=O)(=O)c1ccc(OCCNC(=O)COC2CN(C(=O)[O-])C2)cc1 ZINC000829695629 603766381 /nfs/dbraw/zinc/76/63/81/603766381.db2.gz JFKRJMOXBMLWPD-UHFFFAOYSA-N -1 0 372.399 -0.036 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2CNC(=O)[O-])cn1 ZINC000829695956 604191759 /nfs/dbraw/zinc/19/17/59/604191759.db2.gz OOGYCTASQYQUEF-JTQLQIEISA-N -1 0 370.387 -0.318 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2CNC(=O)[O-])cn1 ZINC000829695960 604192013 /nfs/dbraw/zinc/19/20/13/604192013.db2.gz OOGYCTASQYQUEF-SNVBAGLBSA-N -1 0 370.387 -0.318 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCN(C(=O)[O-])CC2)cn1 ZINC000829695981 604171095 /nfs/dbraw/zinc/17/10/95/604171095.db2.gz OWSASFBLBREZKP-UHFFFAOYSA-N -1 0 370.387 -0.318 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)NC2CN(C(=O)[O-])C2)cc1F ZINC000829696156 604477427 /nfs/dbraw/zinc/47/74/27/604477427.db2.gz QOJUMYQSOAEKBB-UHFFFAOYSA-N -1 0 352.365 -0.130 20 0 FBADRM CS(=O)(=O)c1ccc(OCCNC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000829696357 604843356 /nfs/dbraw/zinc/84/33/56/604843356.db2.gz WAWZHUDSFVQXFA-CYBMUJFWSA-N -1 0 372.399 -0.036 20 0 FBADRM CS(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000829696358 604843400 /nfs/dbraw/zinc/84/34/00/604843400.db2.gz WAWZHUDSFVQXFA-ZDUSSCGKSA-N -1 0 372.399 -0.036 20 0 FBADRM CCN(CCC(=O)[O-])C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000829697718 601938695 /nfs/dbraw/zinc/93/86/95/601938695.db2.gz YTZLYIGJVSTWNV-JTQLQIEISA-N -1 0 371.415 -0.225 20 0 FBADRM CCN(CCC(=O)[O-])C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000829697721 601938484 /nfs/dbraw/zinc/93/84/84/601938484.db2.gz YTZLYIGJVSTWNV-SNVBAGLBSA-N -1 0 371.415 -0.225 20 0 FBADRM C[S@](=O)CCN1CCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000829698687 605357958 /nfs/dbraw/zinc/35/79/58/605357958.db2.gz ASKVEBBUHPAJBW-OZAJXLCCSA-N -1 0 361.464 -0.332 20 0 FBADRM C[S@@](=O)CCN1CCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000829698688 605358005 /nfs/dbraw/zinc/35/80/05/605358005.db2.gz ASKVEBBUHPAJBW-RKNYENMMSA-N -1 0 361.464 -0.332 20 0 FBADRM C[S@](=O)CCN1CCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000829698689 605357972 /nfs/dbraw/zinc/35/79/72/605357972.db2.gz ASKVEBBUHPAJBW-RZFZLAGVSA-N -1 0 361.464 -0.332 20 0 FBADRM C[S@@](=O)CCN1CCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000829698690 605358416 /nfs/dbraw/zinc/35/84/16/605358416.db2.gz ASKVEBBUHPAJBW-YEBMWUKDSA-N -1 0 361.464 -0.332 20 0 FBADRM C[S@@](=O)CCNC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000829698969 604161043 /nfs/dbraw/zinc/16/10/43/604161043.db2.gz GJYXDRISLXQFJF-UOXLDJKESA-N -1 0 374.463 -0.391 20 0 FBADRM C[S@](=O)CCNC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000829698970 604161091 /nfs/dbraw/zinc/16/10/91/604161091.db2.gz GJYXDRISLXQFJF-VDBVYFBLSA-N -1 0 374.463 -0.391 20 0 FBADRM C[S@@](=O)CCNC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000829698971 604161156 /nfs/dbraw/zinc/16/11/56/604161156.db2.gz GJYXDRISLXQFJF-XELLLNAOSA-N -1 0 374.463 -0.391 20 0 FBADRM C[S@](=O)CCNC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000829698972 604160994 /nfs/dbraw/zinc/16/09/94/604160994.db2.gz GJYXDRISLXQFJF-YDBLSZJJSA-N -1 0 374.463 -0.391 20 0 FBADRM C[S@@](=O)CCN1CCN(C(=O)C[C@H]2CSCCN2C(=O)[O-])CC1 ZINC000829700390 605317710 /nfs/dbraw/zinc/31/77/10/605317710.db2.gz QNIQUYHJYUXMJY-DAOPMYJZSA-N -1 0 363.505 -0.005 20 0 FBADRM C[S@](=O)CCN1CCN(C(=O)C[C@H]2CSCCN2C(=O)[O-])CC1 ZINC000829700391 605317272 /nfs/dbraw/zinc/31/72/72/605317272.db2.gz QNIQUYHJYUXMJY-MYODQAERSA-N -1 0 363.505 -0.005 20 0 FBADRM C[S@@](=O)CCN1CCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])CC1 ZINC000829700392 605317472 /nfs/dbraw/zinc/31/74/72/605317472.db2.gz QNIQUYHJYUXMJY-SFDCACGMSA-N -1 0 363.505 -0.005 20 0 FBADRM C[S@](=O)CCN1CCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])CC1 ZINC000829700393 605317401 /nfs/dbraw/zinc/31/74/01/605317401.db2.gz QNIQUYHJYUXMJY-SPSFWMDKSA-N -1 0 363.505 -0.005 20 0 FBADRM C[S@@](=O)CCN1CCN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CC1 ZINC000829700410 604050640 /nfs/dbraw/zinc/05/06/40/604050640.db2.gz QWINMZXMSXIDOW-RUZDIDTESA-N -1 0 374.507 -0.417 20 0 FBADRM C[S@](=O)CCN1CCN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CC1 ZINC000829700411 604050676 /nfs/dbraw/zinc/05/06/76/604050676.db2.gz QWINMZXMSXIDOW-VWLOTQADSA-N -1 0 374.507 -0.417 20 0 FBADRM C[S@](=O)CCN1CCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000829700896 603661947 /nfs/dbraw/zinc/66/19/47/603661947.db2.gz WJVJWKYBEHHPEI-OZAJXLCCSA-N -1 0 361.464 -0.332 20 0 FBADRM C[S@@](=O)CCN1CCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000829700897 603661904 /nfs/dbraw/zinc/66/19/04/603661904.db2.gz WJVJWKYBEHHPEI-RKNYENMMSA-N -1 0 361.464 -0.332 20 0 FBADRM C[S@](=O)CCN1CCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000829700898 603661733 /nfs/dbraw/zinc/66/17/33/603661733.db2.gz WJVJWKYBEHHPEI-RZFZLAGVSA-N -1 0 361.464 -0.332 20 0 FBADRM C[S@@](=O)CCN1CCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000829700899 603661806 /nfs/dbraw/zinc/66/18/06/603661806.db2.gz WJVJWKYBEHHPEI-YEBMWUKDSA-N -1 0 361.464 -0.332 20 0 FBADRM CCN(CCC(=O)[O-])CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000829701956 600993209 /nfs/dbraw/zinc/99/32/09/600993209.db2.gz VTDFQUDIGFCJOW-UHFFFAOYSA-N -1 0 354.407 -0.236 20 0 FBADRM C[S@](=O)c1ccc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000829704776 603714328 /nfs/dbraw/zinc/71/43/28/603714328.db2.gz SICFWACXHCFGHK-DEOSSOPVSA-N -1 0 353.400 -0.138 20 0 FBADRM C[S@@](=O)c1ccc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000829704777 603714208 /nfs/dbraw/zinc/71/42/08/603714208.db2.gz SICFWACXHCFGHK-XMMPIXPASA-N -1 0 353.400 -0.138 20 0 FBADRM CS[C@H](C)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000829704911 603552248 /nfs/dbraw/zinc/55/22/48/603552248.db2.gz UTBSHQUUIHOSDW-SECBINFHSA-N -1 0 351.450 -0.426 20 0 FBADRM CS[C@@H](C)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000829704914 603551983 /nfs/dbraw/zinc/55/19/83/603551983.db2.gz UTBSHQUUIHOSDW-VIFPVBQESA-N -1 0 351.450 -0.426 20 0 FBADRM CCN(CCCO)C(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000829709647 600934181 /nfs/dbraw/zinc/93/41/81/600934181.db2.gz ODRYBLGGRHZJFT-UHFFFAOYSA-N -1 0 351.359 -0.330 20 0 FBADRM CCN(CCCNS(=O)(=O)CC1(CC(=O)[O-])CC1)S(C)(=O)=O ZINC000829709721 601508625 /nfs/dbraw/zinc/50/86/25/601508625.db2.gz SCTYLALSBYEDDZ-UHFFFAOYSA-N -1 0 356.466 -0.168 20 0 FBADRM CCN(CCCNC(=O)N1CCO[C@H](CC(=O)[O-])C1)S(C)(=O)=O ZINC000829709905 601768660 /nfs/dbraw/zinc/76/86/60/601768660.db2.gz XFIMSQCTWWSOPF-LLVKDONJSA-N -1 0 351.425 -0.457 20 0 FBADRM CCN(CCCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1)S(C)(=O)=O ZINC000829709906 601768762 /nfs/dbraw/zinc/76/87/62/601768762.db2.gz XFIMSQCTWWSOPF-NSHDSACASA-N -1 0 351.425 -0.457 20 0 FBADRM CSC[C@H](C)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000829715790 603938087 /nfs/dbraw/zinc/93/80/87/603938087.db2.gz BNYDFMDHMOAYCI-JTQLQIEISA-N -1 0 365.477 -0.178 20 0 FBADRM CSC[C@@H](C)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000829715792 603937827 /nfs/dbraw/zinc/93/78/27/603937827.db2.gz BNYDFMDHMOAYCI-SNVBAGLBSA-N -1 0 365.477 -0.178 20 0 FBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000829721559 604345476 /nfs/dbraw/zinc/34/54/76/604345476.db2.gz AUWPAXAODCODIB-SECBINFHSA-N -1 0 358.420 -0.082 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000829721560 604345491 /nfs/dbraw/zinc/34/54/91/604345491.db2.gz AUWPAXAODCODIB-VIFPVBQESA-N -1 0 358.420 -0.082 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)N(C)CCN1CCCS1(=O)=O ZINC000829722811 603804618 /nfs/dbraw/zinc/80/46/18/603804618.db2.gz MNPJYXWUNLMETC-JTQLQIEISA-N -1 0 353.466 -0.130 20 0 FBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N(C)CCN1CCCS1(=O)=O ZINC000829722813 603763442 /nfs/dbraw/zinc/76/34/42/603763442.db2.gz MNPJYXWUNLMETC-SNVBAGLBSA-N -1 0 353.466 -0.130 20 0 FBADRM CSCCC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000829723259 603937878 /nfs/dbraw/zinc/93/78/78/603937878.db2.gz QSYMBCUDVWYDRD-UHFFFAOYSA-N -1 0 351.450 -0.424 20 0 FBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000829729224 604765052 /nfs/dbraw/zinc/76/50/52/604765052.db2.gz DHHWGRYOOUOQHU-GFCCVEGCSA-N -1 0 360.480 -0.002 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000829729225 604765404 /nfs/dbraw/zinc/76/54/04/604765404.db2.gz DHHWGRYOOUOQHU-LBPRGKRZSA-N -1 0 360.480 -0.002 20 0 FBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N1CCN(CCn2cncn2)CC1 ZINC000829729268 603450500 /nfs/dbraw/zinc/45/05/00/603450500.db2.gz DTALFRKZZXRKGK-GFCCVEGCSA-N -1 0 356.452 -0.188 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCN(CCn2cncn2)CC1 ZINC000829729269 603450457 /nfs/dbraw/zinc/45/04/57/603450457.db2.gz DTALFRKZZXRKGK-LBPRGKRZSA-N -1 0 356.452 -0.188 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000829729559 603641194 /nfs/dbraw/zinc/64/11/94/603641194.db2.gz HAUWMIPIXWICGZ-FZNYLWTLSA-N -1 0 358.420 -0.130 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000829729561 603641037 /nfs/dbraw/zinc/64/10/37/603641037.db2.gz HAUWMIPIXWICGZ-ITMYJUKJSA-N -1 0 358.420 -0.130 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000829729563 603641271 /nfs/dbraw/zinc/64/12/71/603641271.db2.gz HAUWMIPIXWICGZ-TVLCNXBWSA-N -1 0 358.420 -0.130 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000829729564 603641228 /nfs/dbraw/zinc/64/12/28/603641228.db2.gz HAUWMIPIXWICGZ-UINNMSKDSA-N -1 0 358.420 -0.130 20 0 FBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000829729697 603997339 /nfs/dbraw/zinc/99/73/39/603997339.db2.gz HZDMCOSYOBVBPP-LLVKDONJSA-N -1 0 355.420 -0.015 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000829729699 603997391 /nfs/dbraw/zinc/99/73/91/603997391.db2.gz HZDMCOSYOBVBPP-NSHDSACASA-N -1 0 355.420 -0.015 20 0 FBADRM CSCC[C@@H](NC(=O)[O-])C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000829733138 603728078 /nfs/dbraw/zinc/72/80/78/603728078.db2.gz XQNDRYKKXGPZPI-LLVKDONJSA-N -1 0 369.447 -0.182 20 0 FBADRM CSCC[C@H](NC(=O)[O-])C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000829733139 603728039 /nfs/dbraw/zinc/72/80/39/603728039.db2.gz XQNDRYKKXGPZPI-NSHDSACASA-N -1 0 369.447 -0.182 20 0 FBADRM CSCCCC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000829738468 603940058 /nfs/dbraw/zinc/94/00/58/603940058.db2.gz ZOXZOQGEGWUXFF-UHFFFAOYSA-N -1 0 365.477 -0.034 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3ccc(C(=O)[O-])cc3)CCN2C1=O ZINC000829740205 601870676 /nfs/dbraw/zinc/87/06/76/601870676.db2.gz GSUKGOAVTWVFKX-GFCCVEGCSA-N -1 0 374.353 -0.182 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3ccc(C(=O)[O-])cc3)CCN2C1=O ZINC000829740206 601870528 /nfs/dbraw/zinc/87/05/28/601870528.db2.gz GSUKGOAVTWVFKX-LBPRGKRZSA-N -1 0 374.353 -0.182 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3cccc(C(=O)[O-])c3)CCN2C1=O ZINC000829740417 601868888 /nfs/dbraw/zinc/86/88/88/601868888.db2.gz INVSKJKABMVVCK-GFCCVEGCSA-N -1 0 374.353 -0.182 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3cccc(C(=O)[O-])c3)CCN2C1=O ZINC000829740418 601868793 /nfs/dbraw/zinc/86/87/93/601868793.db2.gz INVSKJKABMVVCK-LBPRGKRZSA-N -1 0 374.353 -0.182 20 0 FBADRM CSCCNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000829742505 604878578 /nfs/dbraw/zinc/87/85/78/604878578.db2.gz JPOUHJWUCJABRH-UHFFFAOYSA-N -1 0 366.465 -0.631 20 0 FBADRM CCN1C(=O)[C@@H]2CN(S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)CCN2C1=O ZINC000829743772 601405049 /nfs/dbraw/zinc/40/50/49/601405049.db2.gz BGXVPXGBRMMRDZ-JTQLQIEISA-N -1 0 371.371 -0.057 20 0 FBADRM CCN1C(=O)[C@H]2CN(S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)CCN2C1=O ZINC000829743773 601405059 /nfs/dbraw/zinc/40/50/59/601405059.db2.gz BGXVPXGBRMMRDZ-SNVBAGLBSA-N -1 0 371.371 -0.057 20 0 FBADRM CCN1C(=O)[C@@H]2CN(Cc3noc(CCCC(=O)[O-])n3)CCN2C1=O ZINC000829743776 601466390 /nfs/dbraw/zinc/46/63/90/601466390.db2.gz BJTZVXURFPLDSD-JTQLQIEISA-N -1 0 351.363 -0.055 20 0 FBADRM CCN1C(=O)[C@H]2CN(Cc3noc(CCCC(=O)[O-])n3)CCN2C1=O ZINC000829743777 601466417 /nfs/dbraw/zinc/46/64/17/601466417.db2.gz BJTZVXURFPLDSD-SNVBAGLBSA-N -1 0 351.363 -0.055 20 0 FBADRM CCN1C(=O)[C@H]2CN(S(=O)(=O)c3csnc3C(=O)[O-])CCN2C1=O ZINC000829743798 601584041 /nfs/dbraw/zinc/58/40/41/601584041.db2.gz BVXBHHARGNXBTG-SSDOTTSWSA-N -1 0 374.400 -0.502 20 0 FBADRM CCN1C(=O)[C@@H]2CN(S(=O)(=O)c3csnc3C(=O)[O-])CCN2C1=O ZINC000829743799 601583893 /nfs/dbraw/zinc/58/38/93/601583893.db2.gz BVXBHHARGNXBTG-ZETCQYMHSA-N -1 0 374.400 -0.502 20 0 FBADRM CCN1C(=O)[C@@H]2CN([C@@H](C)C(=O)N3CCC(C(=O)[O-])CC3)CCN2C1=O ZINC000829744025 601587911 /nfs/dbraw/zinc/58/79/11/601587911.db2.gz CMYOMFYWFYTZRB-AAEUAGOBSA-N -1 0 366.418 -0.334 20 0 FBADRM CCN1C(=O)[C@H]2CN([C@H](C)C(=O)N3CCC(C(=O)[O-])CC3)CCN2C1=O ZINC000829744026 601587728 /nfs/dbraw/zinc/58/77/28/601587728.db2.gz CMYOMFYWFYTZRB-DGCLKSJQSA-N -1 0 366.418 -0.334 20 0 FBADRM CCN1C(=O)[C@H]2CN([C@@H](C)C(=O)N3CCC(C(=O)[O-])CC3)CCN2C1=O ZINC000829744027 601587681 /nfs/dbraw/zinc/58/76/81/601587681.db2.gz CMYOMFYWFYTZRB-WCQYABFASA-N -1 0 366.418 -0.334 20 0 FBADRM CCN1C(=O)[C@@H]2CN([C@H](C)C(=O)N3CCC(C(=O)[O-])CC3)CCN2C1=O ZINC000829744028 601587896 /nfs/dbraw/zinc/58/78/96/601587896.db2.gz CMYOMFYWFYTZRB-YPMHNXCESA-N -1 0 366.418 -0.334 20 0 FBADRM CCN1C(=O)[C@@H]2CN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])CCN2C1=O ZINC000829744114 601466408 /nfs/dbraw/zinc/46/64/08/601466408.db2.gz FKYOMULXYLACCD-NEPJUHHUSA-N -1 0 354.407 -0.430 20 0 FBADRM CCN1C(=O)[C@H]2CN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])CCN2C1=O ZINC000829744115 601466316 /nfs/dbraw/zinc/46/63/16/601466316.db2.gz FKYOMULXYLACCD-NWDGAFQWSA-N -1 0 354.407 -0.430 20 0 FBADRM CCN1C(=O)[C@@H]2CN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])CCN2C1=O ZINC000829744116 601466460 /nfs/dbraw/zinc/46/64/60/601466460.db2.gz FKYOMULXYLACCD-RYUDHWBXSA-N -1 0 354.407 -0.430 20 0 FBADRM CCN1C(=O)[C@H]2CN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])CCN2C1=O ZINC000829744117 601466357 /nfs/dbraw/zinc/46/63/57/601466357.db2.gz FKYOMULXYLACCD-VXGBXAGGSA-N -1 0 354.407 -0.430 20 0 FBADRM CCN1C(=O)[C@H]2CN(CC(=O)NC3(C(=O)[O-])CCCCC3)CCN2C1=O ZINC000829744342 601587948 /nfs/dbraw/zinc/58/79/48/601587948.db2.gz HPHHDWCCOZWDFJ-GFCCVEGCSA-N -1 0 366.418 -0.142 20 0 FBADRM CCN1C(=O)[C@@H]2CN(CC(=O)NC3(C(=O)[O-])CCCCC3)CCN2C1=O ZINC000829744343 601587856 /nfs/dbraw/zinc/58/78/56/601587856.db2.gz HPHHDWCCOZWDFJ-LBPRGKRZSA-N -1 0 366.418 -0.142 20 0 FBADRM CCN1C(=O)[C@H]2CN(C(=O)Nc3ccn(CC(=O)[O-])n3)CCN2C1=O ZINC000829744372 602041615 /nfs/dbraw/zinc/04/16/15/602041615.db2.gz HRRLLSOOZWWXOP-SECBINFHSA-N -1 0 350.335 -0.532 20 0 FBADRM CCN1C(=O)[C@@H]2CN(C(=O)Nc3ccn(CC(=O)[O-])n3)CCN2C1=O ZINC000829744373 602041580 /nfs/dbraw/zinc/04/15/80/602041580.db2.gz HRRLLSOOZWWXOP-VIFPVBQESA-N -1 0 350.335 -0.532 20 0 FBADRM CCN1C(=O)[C@H]2CN(CC(=O)N3CCC(C(=O)[O-])CC3)CCN2C1=O ZINC000829745437 601466414 /nfs/dbraw/zinc/46/64/14/601466414.db2.gz QLBXRSFIAQTYBB-GFCCVEGCSA-N -1 0 352.391 -0.722 20 0 FBADRM CCN1C(=O)[C@@H]2CN(CC(=O)N3CCC(C(=O)[O-])CC3)CCN2C1=O ZINC000829745438 601466456 /nfs/dbraw/zinc/46/64/56/601466456.db2.gz QLBXRSFIAQTYBB-LBPRGKRZSA-N -1 0 352.391 -0.722 20 0 FBADRM CCN1C(=O)[C@@H]2CN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)CCN2C1=O ZINC000829745510 601405263 /nfs/dbraw/zinc/40/52/63/601405263.db2.gz QROKJQWTIPJAKF-JTQLQIEISA-N -1 0 356.360 -0.630 20 0 FBADRM CCN1C(=O)[C@H]2CN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)CCN2C1=O ZINC000829745512 601405413 /nfs/dbraw/zinc/40/54/13/601405413.db2.gz QROKJQWTIPJAKF-SNVBAGLBSA-N -1 0 356.360 -0.630 20 0 FBADRM CCN1C(=O)[C@H]2CN(S(=O)(=O)c3ccc(C(=O)[O-])o3)CCN2C1=O ZINC000829745567 601405432 /nfs/dbraw/zinc/40/54/32/601405432.db2.gz RKHIRZJAPHMIPV-MRVPVSSYSA-N -1 0 357.344 -0.365 20 0 FBADRM CCN1C(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C(=O)[O-])o3)CCN2C1=O ZINC000829745570 601405349 /nfs/dbraw/zinc/40/53/49/601405349.db2.gz RKHIRZJAPHMIPV-QMMMGPOBSA-N -1 0 357.344 -0.365 20 0 FBADRM CCN1C(=O)[C@H]2CN(c3cc(C)nc4nc(C(=O)[O-])nn43)CCN2C1=O ZINC000829745632 601383731 /nfs/dbraw/zinc/38/37/31/601383731.db2.gz SMGVKXUXAKDIKG-SECBINFHSA-N -1 0 359.346 -0.396 20 0 FBADRM CCN1C(=O)[C@@H]2CN(c3cc(C)nc4nc(C(=O)[O-])nn43)CCN2C1=O ZINC000829745633 601383682 /nfs/dbraw/zinc/38/36/82/601383682.db2.gz SMGVKXUXAKDIKG-VIFPVBQESA-N -1 0 359.346 -0.396 20 0 FBADRM CCN1C(=O)[C@H]2CN(S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)CCN2C1=O ZINC000829745815 601405405 /nfs/dbraw/zinc/40/54/05/601405405.db2.gz SYOUBMAHTXEORL-LLVKDONJSA-N -1 0 370.387 -0.620 20 0 FBADRM CCN1C(=O)[C@@H]2CN(S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)CCN2C1=O ZINC000829745824 601405386 /nfs/dbraw/zinc/40/53/86/601405386.db2.gz SYOUBMAHTXEORL-NSHDSACASA-N -1 0 370.387 -0.620 20 0 FBADRM CCN1C(=O)[C@@H]2CN(S(=O)(=O)CC3(CC(=O)[O-])CC3)CCN2C1=O ZINC000829746224 601521126 /nfs/dbraw/zinc/52/11/26/601521126.db2.gz WKRXJNJCGWKWNW-JTQLQIEISA-N -1 0 359.404 -0.461 20 0 FBADRM CCN1C(=O)[C@H]2CN(S(=O)(=O)CC3(CC(=O)[O-])CC3)CCN2C1=O ZINC000829746241 601521110 /nfs/dbraw/zinc/52/11/10/601521110.db2.gz WKRXJNJCGWKWNW-SNVBAGLBSA-N -1 0 359.404 -0.461 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000829764622 661134967 /nfs/dbraw/zinc/13/49/67/661134967.db2.gz QKMOAADZDLNSIG-CYBMUJFWSA-N -1 0 364.445 -0.155 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000829764623 661135053 /nfs/dbraw/zinc/13/50/53/661135053.db2.gz QKMOAADZDLNSIG-ZDUSSCGKSA-N -1 0 364.445 -0.155 20 0 FBADRM COCCN(CCC(=O)[O-])S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000829768587 661135059 /nfs/dbraw/zinc/13/50/59/661135059.db2.gz GXVKJWFURKSMSL-UHFFFAOYSA-N -1 0 360.454 -0.979 20 0 FBADRM COCCN(CCC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000829769487 661135050 /nfs/dbraw/zinc/13/50/50/661135050.db2.gz WEWQHDVKYSOLNH-UHFFFAOYSA-N -1 0 359.466 -0.047 20 0 FBADRM CCN1CCN(C2CCN(C(=O)Cn3cc(C(=O)[O-])nn3)CC2)C1=O ZINC000829770327 601285698 /nfs/dbraw/zinc/28/56/98/601285698.db2.gz HOFOITMHCDXNQZ-UHFFFAOYSA-N -1 0 350.379 -0.275 20 0 FBADRM CCN1CCN(CC(=O)N(CCC(=O)[O-])Cc2ccncc2)C(=O)C1=O ZINC000829770684 601513596 /nfs/dbraw/zinc/51/35/96/601513596.db2.gz LPGRIEOSGDNRMI-UHFFFAOYSA-N -1 0 362.386 -0.424 20 0 FBADRM CCN1CCN(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)C(=O)C1=O ZINC000829776494 601745642 /nfs/dbraw/zinc/74/56/42/601745642.db2.gz PJCQMTSSJCFHMS-CYBMUJFWSA-N -1 0 351.334 -0.242 20 0 FBADRM CCN1CCN(CC(=O)N[C@H](C(=O)[O-])c2ccccc2F)C(=O)C1=O ZINC000829776495 601745640 /nfs/dbraw/zinc/74/56/40/601745640.db2.gz PJCQMTSSJCFHMS-ZDUSSCGKSA-N -1 0 351.334 -0.242 20 0 FBADRM CCN1CCN(CC(=O)Nc2nc(CCC(=O)[O-])cs2)C(=O)C1=O ZINC000829776832 604719269 /nfs/dbraw/zinc/71/92/69/604719269.db2.gz VSMJSTKRXKTLMU-UHFFFAOYSA-N -1 0 354.388 -0.211 20 0 FBADRM CSc1nc(=O)[nH]c(C)c1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000829778398 603479535 /nfs/dbraw/zinc/47/95/35/603479535.db2.gz XPDUYXBHLNKKEL-UHFFFAOYSA-N -1 0 369.403 -0.235 20 0 FBADRM CCN1CCO[C@@H](C(=O)Nc2cccc(S(=O)(=O)NCC(=O)[O-])c2)C1 ZINC000829780640 600891118 /nfs/dbraw/zinc/89/11/18/600891118.db2.gz JNSXRNBTYYNSPT-CYBMUJFWSA-N -1 0 371.415 -0.291 20 0 FBADRM CCN1CCO[C@H](C(=O)Nc2cccc(S(=O)(=O)NCC(=O)[O-])c2)C1 ZINC000829780641 600890985 /nfs/dbraw/zinc/89/09/85/600890985.db2.gz JNSXRNBTYYNSPT-ZDUSSCGKSA-N -1 0 371.415 -0.291 20 0 FBADRM CSc1nn(C)c(NC(=O)CN2CCN(C(=O)[O-])CC2=O)c1C(N)=O ZINC000829782943 603895627 /nfs/dbraw/zinc/89/56/27/603895627.db2.gz CQTLKZPACJTZHW-UHFFFAOYSA-N -1 0 370.391 -0.998 20 0 FBADRM CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000829786024 600866746 /nfs/dbraw/zinc/86/67/46/600866746.db2.gz HQZHIZQFUHOWHQ-MRVPVSSYSA-N -1 0 365.342 -0.249 20 0 FBADRM CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000829786036 600866937 /nfs/dbraw/zinc/86/69/37/600866937.db2.gz HQZHIZQFUHOWHQ-QMMMGPOBSA-N -1 0 365.342 -0.249 20 0 FBADRM CCN1CCO[C@H](CN2CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC2)C1 ZINC000829786688 601796729 /nfs/dbraw/zinc/79/67/29/601796729.db2.gz QZACTDNXEFUECU-KBPBESRZSA-N -1 0 363.480 -0.625 20 0 FBADRM CCN1CCO[C@H](CN2CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC2)C1 ZINC000829786689 601796513 /nfs/dbraw/zinc/79/65/13/601796513.db2.gz QZACTDNXEFUECU-KGLIPLIRSA-N -1 0 363.480 -0.625 20 0 FBADRM CCN1CCO[C@@H](CN2CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC2)C1 ZINC000829786690 601796494 /nfs/dbraw/zinc/79/64/94/601796494.db2.gz QZACTDNXEFUECU-UONOGXRCSA-N -1 0 363.480 -0.625 20 0 FBADRM CCN1CCO[C@@H](CN2CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC2)C1 ZINC000829786691 601796602 /nfs/dbraw/zinc/79/66/02/601796602.db2.gz QZACTDNXEFUECU-ZIAGYGMSSA-N -1 0 363.480 -0.625 20 0 FBADRM CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000829786747 600866850 /nfs/dbraw/zinc/86/68/50/600866850.db2.gz UJARZSRNRMJELX-MRVPVSSYSA-N -1 0 365.342 -0.249 20 0 FBADRM CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000829786748 600866940 /nfs/dbraw/zinc/86/69/40/600866940.db2.gz UJARZSRNRMJELX-QMMMGPOBSA-N -1 0 365.342 -0.249 20 0 FBADRM CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000829786835 600866748 /nfs/dbraw/zinc/86/67/48/600866748.db2.gz YEQNXIZDTJXNAD-MRVPVSSYSA-N -1 0 367.358 -0.019 20 0 FBADRM CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000829786836 600866857 /nfs/dbraw/zinc/86/68/57/600866857.db2.gz YEQNXIZDTJXNAD-QMMMGPOBSA-N -1 0 367.358 -0.019 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1cccc(OCCNC(=O)[O-])c1)C(=O)N(C)C ZINC000829787933 603725290 /nfs/dbraw/zinc/72/52/90/603725290.db2.gz HNYMAWSASJQGOV-SNVBAGLBSA-N -1 0 366.374 -0.136 20 0 FBADRM C[C@@H](NC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1)C(=O)N(C)C ZINC000829788208 603866502 /nfs/dbraw/zinc/86/65/02/603866502.db2.gz VCVZSPPMENKQPJ-GHMZBOCLSA-N -1 0 357.411 -0.732 20 0 FBADRM C[C@@H](NC(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1)C(=O)N(C)C ZINC000829788209 603866479 /nfs/dbraw/zinc/86/64/79/603866479.db2.gz VCVZSPPMENKQPJ-MNOVXSKESA-N -1 0 357.411 -0.732 20 0 FBADRM CCNC(=O)CNC(=O)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000829790019 600866814 /nfs/dbraw/zinc/86/68/14/600866814.db2.gz AGIVNGBGPSCGNZ-UHFFFAOYSA-N -1 0 353.331 -0.407 20 0 FBADRM CCNC(=O)CNC(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000829790032 601147700 /nfs/dbraw/zinc/14/77/00/601147700.db2.gz BKGCTRQEENXIQJ-SECBINFHSA-N -1 0 354.388 -0.013 20 0 FBADRM CCNC(=O)CNC(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000829790033 601147669 /nfs/dbraw/zinc/14/76/69/601147669.db2.gz BKGCTRQEENXIQJ-VIFPVBQESA-N -1 0 354.388 -0.013 20 0 FBADRM CCNC(=O)CNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000829790054 604817069 /nfs/dbraw/zinc/81/70/69/604817069.db2.gz CSDQOAIKYXFXPP-UHFFFAOYSA-N -1 0 357.750 -0.006 20 0 FBADRM CCNC(=O)CN1CCCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC000829790080 601132004 /nfs/dbraw/zinc/13/20/04/601132004.db2.gz FQZIEUNYQICERS-UHFFFAOYSA-N -1 0 361.464 -0.285 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)C(=O)Nc2sccc2C(=O)[O-])CC1 ZINC000829790084 600874155 /nfs/dbraw/zinc/87/41/55/600874155.db2.gz GAISFSRGPXDGSM-UHFFFAOYSA-N -1 0 368.415 -0.335 20 0 FBADRM CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])CC1 ZINC000829790089 601978646 /nfs/dbraw/zinc/97/86/46/601978646.db2.gz GVGLDYIQXOYTIG-UHFFFAOYSA-N -1 0 373.406 -0.034 20 0 FBADRM CCNC(=O)CNC(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000829790095 602057172 /nfs/dbraw/zinc/05/71/72/602057172.db2.gz GWDJUIOMYHCTRH-UHFFFAOYSA-N -1 0 371.415 -0.379 20 0 FBADRM CCNC(=O)CN1CCN(S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC000829790108 601569646 /nfs/dbraw/zinc/56/96/46/601569646.db2.gz HRGFTGGHURHYTH-UHFFFAOYSA-N -1 0 362.433 -0.716 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000829790109 604497259 /nfs/dbraw/zinc/49/72/59/604497259.db2.gz HUDNEHFCLQWZNO-UHFFFAOYSA-N -1 0 368.415 -0.335 20 0 FBADRM CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC000829790122 600702170 /nfs/dbraw/zinc/70/21/70/600702170.db2.gz IDTKGSGBESYMGS-UHFFFAOYSA-N -1 0 369.443 -0.032 20 0 FBADRM CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000829790220 600865493 /nfs/dbraw/zinc/86/54/93/600865493.db2.gz ILXOOPGTYBXVRF-UHFFFAOYSA-N -1 0 351.315 -0.638 20 0 FBADRM CCNC(=O)CN1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000829790256 600712142 /nfs/dbraw/zinc/71/21/42/600712142.db2.gz MINCTDNMAXCIOA-UHFFFAOYSA-N -1 0 358.420 -0.455 20 0 FBADRM CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000829790526 600771232 /nfs/dbraw/zinc/77/12/32/600771232.db2.gz WCKMGAUGTBYRJT-UHFFFAOYSA-N -1 0 372.447 -0.444 20 0 FBADRM CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000829790543 600865654 /nfs/dbraw/zinc/86/56/54/600865654.db2.gz WPXAJUALHVFSLM-UHFFFAOYSA-N -1 0 351.315 -0.638 20 0 FBADRM CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000829790657 661134996 /nfs/dbraw/zinc/13/49/96/661134996.db2.gz ZUMHGVIRKVHQIN-UHFFFAOYSA-N -1 0 359.404 -0.271 20 0 FBADRM CCNC(=O)COc1cccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000829794627 601277187 /nfs/dbraw/zinc/27/71/87/601277187.db2.gz IOVZOZIGBGTWQC-UHFFFAOYSA-N -1 0 361.358 -0.192 20 0 FBADRM CCNC(=O)COc1cccc(CNS(=O)(=O)N(C)CCC(=O)[O-])c1 ZINC000829795220 601255804 /nfs/dbraw/zinc/25/58/04/601255804.db2.gz RRHGSRFQKAFNPT-UHFFFAOYSA-N -1 0 373.431 -0.058 20 0 FBADRM C[C@@H](NC(=O)[O-])C(=O)OCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000829797036 604082931 /nfs/dbraw/zinc/08/29/31/604082931.db2.gz UKBQXIMCIXPTLW-LLVKDONJSA-N -1 0 372.422 -0.755 20 0 FBADRM CCNS(=O)(=O)CCNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000829803613 601577677 /nfs/dbraw/zinc/57/76/77/601577677.db2.gz FLYDDPZXAJBXDB-UHFFFAOYSA-N -1 0 372.371 -0.119 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000829804167 601165010 /nfs/dbraw/zinc/16/50/10/601165010.db2.gz SERGKILJRLZQLT-UHFFFAOYSA-N -1 0 357.388 -0.313 20 0 FBADRM CCNS(=O)(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000829804172 601959899 /nfs/dbraw/zinc/95/98/99/601959899.db2.gz SIKBSCRDNHIEAW-UHFFFAOYSA-N -1 0 350.418 -0.370 20 0 FBADRM CCNS(=O)(=O)c1ccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)cc1 ZINC000829809211 602071925 /nfs/dbraw/zinc/07/19/25/602071925.db2.gz VCIXMDXJHZYFJV-UHFFFAOYSA-N -1 0 367.387 -0.409 20 0 FBADRM C[C@H](NC(=O)[O-])C(=O)OCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000829816142 604958392 /nfs/dbraw/zinc/95/83/92/604958392.db2.gz UKBQXIMCIXPTLW-NSHDSACASA-N -1 0 372.422 -0.755 20 0 FBADRM CCOC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000829817149 600777074 /nfs/dbraw/zinc/77/70/74/600777074.db2.gz BENGRRARDBNYNW-UHFFFAOYSA-N -1 0 360.344 -0.626 20 0 FBADRM CCOC(=O)C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000829817411 601223129 /nfs/dbraw/zinc/22/31/29/601223129.db2.gz FJCIANVDMLGFKQ-UHFFFAOYSA-N -1 0 374.371 -0.318 20 0 FBADRM CCOC(=O)C(=O)N1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC000829817694 601518047 /nfs/dbraw/zinc/51/80/47/601518047.db2.gz JZDVKPXBJRMNQQ-UHFFFAOYSA-N -1 0 362.404 -0.722 20 0 FBADRM CCOC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000829817978 600777319 /nfs/dbraw/zinc/77/73/19/600777319.db2.gz NXDXMVTUIFVRCD-UHFFFAOYSA-N -1 0 370.383 -0.219 20 0 FBADRM CCOC(=O)C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000829818008 600787061 /nfs/dbraw/zinc/78/70/61/600787061.db2.gz NXWHHQKJDSYNFN-UHFFFAOYSA-N -1 0 373.387 -0.881 20 0 FBADRM CCOC(=O)C(=O)N1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000829818062 600777344 /nfs/dbraw/zinc/77/73/44/600777344.db2.gz OVAFOELJAVDETF-UHFFFAOYSA-N -1 0 359.360 -0.891 20 0 FBADRM CCOC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000829818647 600777286 /nfs/dbraw/zinc/77/72/86/600777286.db2.gz ZSXGYOJKILCSPL-UHFFFAOYSA-N -1 0 370.383 -0.219 20 0 FBADRM Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000829821323 604398651 /nfs/dbraw/zinc/39/86/51/604398651.db2.gz QDGQTNJPVCCTOV-JTQLQIEISA-N -1 0 353.379 -0.461 20 0 FBADRM Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000829821328 604398959 /nfs/dbraw/zinc/39/89/59/604398959.db2.gz QDGQTNJPVCCTOV-SNVBAGLBSA-N -1 0 353.379 -0.461 20 0 FBADRM C[C@H](c1ccccc1)N(CC(N)=O)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000829821833 604013740 /nfs/dbraw/zinc/01/37/40/604013740.db2.gz YFSGVMUZZMGZHE-GFCCVEGCSA-N -1 0 362.386 -0.116 20 0 FBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000829827358 604670286 /nfs/dbraw/zinc/67/02/86/604670286.db2.gz AAPNJSMJJOBQSE-CMPLNLGQSA-N -1 0 363.374 -0.243 20 0 FBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000829827366 604670235 /nfs/dbraw/zinc/67/02/35/604670235.db2.gz AAPNJSMJJOBQSE-JQWIXIFHSA-N -1 0 363.374 -0.243 20 0 FBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000829827369 604670191 /nfs/dbraw/zinc/67/01/91/604670191.db2.gz AAPNJSMJJOBQSE-PWSUYJOCSA-N -1 0 363.374 -0.243 20 0 FBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000829827371 604670329 /nfs/dbraw/zinc/67/03/29/604670329.db2.gz AAPNJSMJJOBQSE-ZYHUDNBSSA-N -1 0 363.374 -0.243 20 0 FBADRM Cc1[nH]ccc1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000829827465 603991676 /nfs/dbraw/zinc/99/16/76/603991676.db2.gz BGNCXUCCENUPSK-UHFFFAOYSA-N -1 0 356.404 -0.227 20 0 FBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000829828938 603509244 /nfs/dbraw/zinc/50/92/44/603509244.db2.gz XRWAAKAAADJTKS-LLVKDONJSA-N -1 0 362.390 -0.716 20 0 FBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000829828939 603509695 /nfs/dbraw/zinc/50/96/95/603509695.db2.gz XRWAAKAAADJTKS-NSHDSACASA-N -1 0 362.390 -0.716 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000829832365 600990500 /nfs/dbraw/zinc/99/05/00/600990500.db2.gz DBQGVZZCTOLXPE-GFCCVEGCSA-N -1 0 364.420 -0.176 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000829832366 600990270 /nfs/dbraw/zinc/99/02/70/600990270.db2.gz DBQGVZZCTOLXPE-LBPRGKRZSA-N -1 0 364.420 -0.176 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@](C)(COC)CC(=O)[O-])C1 ZINC000829832583 601266356 /nfs/dbraw/zinc/26/63/56/601266356.db2.gz KZXGIPPRNPBYIK-BXUZGUMPSA-N -1 0 366.436 -0.024 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@](C)(COC)CC(=O)[O-])C1 ZINC000829832584 601266467 /nfs/dbraw/zinc/26/64/67/601266467.db2.gz KZXGIPPRNPBYIK-FZMZJTMJSA-N -1 0 366.436 -0.024 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@](C)(COC)CC(=O)[O-])C1 ZINC000829832585 601266488 /nfs/dbraw/zinc/26/64/88/601266488.db2.gz KZXGIPPRNPBYIK-RISCZKNCSA-N -1 0 366.436 -0.024 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@](C)(COC)CC(=O)[O-])C1 ZINC000829832586 601266448 /nfs/dbraw/zinc/26/64/48/601266448.db2.gz KZXGIPPRNPBYIK-SMDDNHRTSA-N -1 0 366.436 -0.024 20 0 FBADRM CCOC(=O)C1(O)CCN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])CC1 ZINC000829832669 600803710 /nfs/dbraw/zinc/80/37/10/600803710.db2.gz NDIJUESICPZDOF-UHFFFAOYSA-N -1 0 372.399 -0.073 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@](C)(COC)CC(=O)[O-] ZINC000829832688 601267146 /nfs/dbraw/zinc/26/71/46/601267146.db2.gz OHJRKUSQUBQMNW-GWCFXTLKSA-N -1 0 352.409 -0.272 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@](C)(COC)CC(=O)[O-] ZINC000829832689 601267127 /nfs/dbraw/zinc/26/71/27/601267127.db2.gz OHJRKUSQUBQMNW-GXFFZTMASA-N -1 0 352.409 -0.272 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@](C)(COC)CC(=O)[O-] ZINC000829832690 601267056 /nfs/dbraw/zinc/26/70/56/601267056.db2.gz OHJRKUSQUBQMNW-MFKMUULPSA-N -1 0 352.409 -0.272 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@](C)(COC)CC(=O)[O-] ZINC000829832691 601267036 /nfs/dbraw/zinc/26/70/36/601267036.db2.gz OHJRKUSQUBQMNW-ZWNOBZJWSA-N -1 0 352.409 -0.272 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000829832977 661135240 /nfs/dbraw/zinc/13/52/40/661135240.db2.gz UJFAHTQZVAEPGH-LLVKDONJSA-N -1 0 364.420 -0.128 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000829832978 661135464 /nfs/dbraw/zinc/13/54/64/661135464.db2.gz UJFAHTQZVAEPGH-NSHDSACASA-N -1 0 364.420 -0.128 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)c1C ZINC000829833700 604058035 /nfs/dbraw/zinc/05/80/35/604058035.db2.gz MIKPPASTJZYIAR-UHFFFAOYSA-N -1 0 371.419 -0.524 20 0 FBADRM Cc1n[nH]cc1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000829834595 603940216 /nfs/dbraw/zinc/94/02/16/603940216.db2.gz UOTOQROSFPOPNC-UHFFFAOYSA-N -1 0 357.392 -0.832 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@](C)(COC)CC(=O)[O-])CC1 ZINC000829838081 601267186 /nfs/dbraw/zinc/26/71/86/601267186.db2.gz RVYSDUDRGDTFDB-AWEZNQCLSA-N -1 0 366.436 -0.024 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@@](C)(COC)CC(=O)[O-])CC1 ZINC000829838082 601267098 /nfs/dbraw/zinc/26/70/98/601267098.db2.gz RVYSDUDRGDTFDB-CQSZACIVSA-N -1 0 366.436 -0.024 20 0 FBADRM CCOC(=O)[C@H]1CN(S(=O)(=O)c2csnc2C(=O)[O-])CCO1 ZINC000829838316 601580175 /nfs/dbraw/zinc/58/01/75/601580175.db2.gz WBIPRKCOFOIVLH-SSDOTTSWSA-N -1 0 350.374 -0.206 20 0 FBADRM CCOC(=O)[C@@H]1CN(S(=O)(=O)c2csnc2C(=O)[O-])CCO1 ZINC000829838317 601580186 /nfs/dbraw/zinc/58/01/86/601580186.db2.gz WBIPRKCOFOIVLH-ZETCQYMHSA-N -1 0 350.374 -0.206 20 0 FBADRM Cc1c(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)cnn1C ZINC000829845214 604058092 /nfs/dbraw/zinc/05/80/92/604058092.db2.gz QRACRRIAENTTPK-UHFFFAOYSA-N -1 0 371.419 -0.822 20 0 FBADRM CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000829847343 601228456 /nfs/dbraw/zinc/22/84/56/601228456.db2.gz DGRIKMRKACAEES-VMPITWQZSA-N -1 0 370.383 -0.177 20 0 FBADRM CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000829847344 601228474 /nfs/dbraw/zinc/22/84/74/601228474.db2.gz DGRIKMRKACAEES-YVMONPNESA-N -1 0 370.383 -0.177 20 0 FBADRM CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000829847364 601228525 /nfs/dbraw/zinc/22/85/25/601228525.db2.gz DUVHUPZDMSDNSB-UHFFFAOYSA-N -1 0 374.371 -0.568 20 0 FBADRM CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000829847500 600726897 /nfs/dbraw/zinc/72/68/97/600726897.db2.gz GZTAWCSZXULTQD-UHFFFAOYSA-N -1 0 358.372 -0.268 20 0 FBADRM CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000829847519 600727150 /nfs/dbraw/zinc/72/71/50/600727150.db2.gz HEFBFMDWIWYIGQ-UHFFFAOYSA-N -1 0 350.374 -0.515 20 0 FBADRM CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000829847556 600775292 /nfs/dbraw/zinc/77/52/92/600775292.db2.gz KDMJWXSMTUPBIB-UHFFFAOYSA-N -1 0 358.372 -0.268 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)CC1 ZINC000829849191 661135346 /nfs/dbraw/zinc/13/53/46/661135346.db2.gz HXPDAPLPBCSLOQ-GFCCVEGCSA-N -1 0 368.477 -0.169 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CC1 ZINC000829849192 661135262 /nfs/dbraw/zinc/13/52/62/661135262.db2.gz HXPDAPLPBCSLOQ-LBPRGKRZSA-N -1 0 368.477 -0.169 20 0 FBADRM Cc1c(C(=O)N2CCN(CCO)CC2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000829849395 604160446 /nfs/dbraw/zinc/16/04/46/604160446.db2.gz DFOHUKFXXAPHNS-UHFFFAOYSA-N -1 0 366.422 -0.348 20 0 FBADRM Cc1c(C(=O)NCCC(=O)NC(N)=O)nnn1C1CCN(C(=O)[O-])CC1 ZINC000829849434 604005438 /nfs/dbraw/zinc/00/54/38/604005438.db2.gz FBMFIYUYMZIQCH-UHFFFAOYSA-N -1 0 367.366 -0.784 20 0 FBADRM Cc1c(C(=O)N2C[C@H](O)C[C@H](O)C2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000829849871 604230658 /nfs/dbraw/zinc/23/06/58/604230658.db2.gz JTQRHWOYIALGSW-TXEJJXNPSA-N -1 0 353.379 -0.531 20 0 FBADRM Cc1c(C(=O)N[C@H]2CCC(=O)NC2=O)nnn1C1CCN(C(=O)[O-])CC1 ZINC000829850297 605446783 /nfs/dbraw/zinc/44/67/83/605446783.db2.gz OMKKCTJEHUDTBE-JTQLQIEISA-N -1 0 364.362 -0.564 20 0 FBADRM Cc1c(C(=O)N[C@@H]2CCC(=O)NC2=O)nnn1C1CCN(C(=O)[O-])CC1 ZINC000829850299 605446886 /nfs/dbraw/zinc/44/68/86/605446886.db2.gz OMKKCTJEHUDTBE-SNVBAGLBSA-N -1 0 364.362 -0.564 20 0 FBADRM Cc1c(C(=O)N2CCO[C@@H](CO)C2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000829850457 605877404 /nfs/dbraw/zinc/87/74/04/605877404.db2.gz QREIOLKLULUCSZ-GFCCVEGCSA-N -1 0 353.379 -0.265 20 0 FBADRM Cc1c(C(=O)N2CCO[C@H](CO)C2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000829850458 605877427 /nfs/dbraw/zinc/87/74/27/605877427.db2.gz QREIOLKLULUCSZ-LBPRGKRZSA-N -1 0 353.379 -0.265 20 0 FBADRM CCOC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000829852410 600775432 /nfs/dbraw/zinc/77/54/32/600775432.db2.gz BXJTVOQJPICBFA-UHFFFAOYSA-N -1 0 373.431 -0.017 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000829852432 604508237 /nfs/dbraw/zinc/50/82/37/604508237.db2.gz CXUWVGXQXBOZAQ-UHFFFAOYSA-N -1 0 364.420 -0.428 20 0 FBADRM CCOC(=O)CN1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000829852594 600727108 /nfs/dbraw/zinc/72/71/08/600727108.db2.gz GNURWBVHUBUNNJ-UHFFFAOYSA-N -1 0 359.404 -0.028 20 0 FBADRM CCOC(=O)CN1CCCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000829852791 600994184 /nfs/dbraw/zinc/99/41/84/600994184.db2.gz NZBUPNBTTKTXGM-UHFFFAOYSA-N -1 0 351.425 -0.792 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC000829852940 604508148 /nfs/dbraw/zinc/50/81/48/604508148.db2.gz WHLGVELHFIUGOP-JTQLQIEISA-N -1 0 364.420 -0.572 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC000829852941 604508035 /nfs/dbraw/zinc/50/80/35/604508035.db2.gz WHLGVELHFIUGOP-SNVBAGLBSA-N -1 0 364.420 -0.572 20 0 FBADRM CCOC(=O)CN1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000829852954 600727110 /nfs/dbraw/zinc/72/71/10/600727110.db2.gz WQMGQEBRSAPXMK-UHFFFAOYSA-N -1 0 374.419 -0.773 20 0 FBADRM Cc1c(C(=O)NCCOCC(N)=O)nnn1C1CCN(C(=O)[O-])CC1 ZINC000829855532 605293411 /nfs/dbraw/zinc/29/34/11/605293411.db2.gz VSCLUFZBFPQBMZ-UHFFFAOYSA-N -1 0 354.367 -0.867 20 0 FBADRM CCOC(=O)N1CCC(NC(=O)CN2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC000829857423 601458613 /nfs/dbraw/zinc/45/86/13/601458613.db2.gz LJNJHIDZMXXAMR-CYBMUJFWSA-N -1 0 357.407 -0.101 20 0 FBADRM CCOC(=O)N1CCC(NC(=O)CN2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC000829857425 601458785 /nfs/dbraw/zinc/45/87/85/601458785.db2.gz LJNJHIDZMXXAMR-ZDUSSCGKSA-N -1 0 357.407 -0.101 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)N(CC(=O)[O-])CC(=O)OC)CC1 ZINC000829857868 600736986 /nfs/dbraw/zinc/73/69/86/600736986.db2.gz SZTBUVBIKAPQIO-UHFFFAOYSA-N -1 0 366.392 -0.503 20 0 FBADRM Cc1c(CN2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)cnn1C ZINC000829858845 605156522 /nfs/dbraw/zinc/15/65/22/605156522.db2.gz FTLMTCUSQUVTCA-UHFFFAOYSA-N -1 0 357.436 -0.462 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@@](C)(COC)CC(=O)[O-])CC1 ZINC000829860689 601266026 /nfs/dbraw/zinc/26/60/26/601266026.db2.gz AWUFYVYTHRMHIX-CYBMUJFWSA-N -1 0 367.424 -0.525 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@](C)(COC)CC(=O)[O-])CC1 ZINC000829860690 601266039 /nfs/dbraw/zinc/26/60/39/601266039.db2.gz AWUFYVYTHRMHIX-ZDUSSCGKSA-N -1 0 367.424 -0.525 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)CC1 ZINC000829860833 601391749 /nfs/dbraw/zinc/39/17/49/601391749.db2.gz GMOKIWKRTOQJLX-GFCCVEGCSA-N -1 0 353.372 -0.496 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)CC1 ZINC000829860834 601391676 /nfs/dbraw/zinc/39/16/76/601391676.db2.gz GMOKIWKRTOQJLX-LBPRGKRZSA-N -1 0 353.372 -0.496 20 0 FBADRM CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC000829860852 601454115 /nfs/dbraw/zinc/45/41/15/601454115.db2.gz HJCHXMVTSCVOGE-CHWSQXEVSA-N -1 0 357.407 -0.149 20 0 FBADRM CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC000829860853 601454250 /nfs/dbraw/zinc/45/42/50/601454250.db2.gz HJCHXMVTSCVOGE-OLZOCXBDSA-N -1 0 357.407 -0.149 20 0 FBADRM CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC000829860854 601454103 /nfs/dbraw/zinc/45/41/03/601454103.db2.gz HJCHXMVTSCVOGE-QWHCGFSZSA-N -1 0 357.407 -0.149 20 0 FBADRM CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC000829860855 601454361 /nfs/dbraw/zinc/45/43/61/601454361.db2.gz HJCHXMVTSCVOGE-STQMWFEESA-N -1 0 357.407 -0.149 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC000829860870 601839766 /nfs/dbraw/zinc/83/97/66/601839766.db2.gz HLXDGOBDFPQLDN-UHFFFAOYSA-N -1 0 361.380 -0.602 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)CC1 ZINC000829861005 601836831 /nfs/dbraw/zinc/83/68/31/601836831.db2.gz KWKBOLCDYBDTKZ-UHFFFAOYSA-N -1 0 361.380 -0.602 20 0 FBADRM CCOC(=O)N1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000829861023 600731031 /nfs/dbraw/zinc/73/10/31/600731031.db2.gz LCFCMBUYLNOSQF-UHFFFAOYSA-N -1 0 360.392 -0.179 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@](C)(COC)C(=O)[O-])CC1 ZINC000829861137 601804282 /nfs/dbraw/zinc/80/42/82/601804282.db2.gz NONIPBZPNHIFOK-GFCCVEGCSA-N -1 0 353.397 -0.915 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@@](C)(COC)C(=O)[O-])CC1 ZINC000829861143 601804405 /nfs/dbraw/zinc/80/44/05/601804405.db2.gz NONIPBZPNHIFOK-LBPRGKRZSA-N -1 0 353.397 -0.915 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC000829862107 601398576 /nfs/dbraw/zinc/39/85/76/601398576.db2.gz XLUICPUQZHKDBN-LLVKDONJSA-N -1 0 365.408 -0.819 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC000829862131 601398772 /nfs/dbraw/zinc/39/87/72/601398772.db2.gz XLUICPUQZHKDBN-NSHDSACASA-N -1 0 365.408 -0.819 20 0 FBADRM CCOC(=O)N1CCN(C(=O)CN(CC(=O)[O-])C2CCOCC2)CC1 ZINC000829862223 600856896 /nfs/dbraw/zinc/85/68/96/600856896.db2.gz ZCKJASFGAAQZSZ-UHFFFAOYSA-N -1 0 357.407 -0.147 20 0 FBADRM Cc1c(NC(=O)C(=O)NCCCN2CCN(C(=O)[O-])CC2)cnn1C ZINC000829876599 603776112 /nfs/dbraw/zinc/77/61/12/603776112.db2.gz HFGTZTNISAZZGW-UHFFFAOYSA-N -1 0 352.395 -0.531 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])o1 ZINC000829881577 601390207 /nfs/dbraw/zinc/39/02/07/601390207.db2.gz NOSYBSLQIYCCLZ-MRVPVSSYSA-N -1 0 360.344 -0.580 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])o1 ZINC000829881578 601389979 /nfs/dbraw/zinc/38/99/79/601389979.db2.gz NOSYBSLQIYCCLZ-QMMMGPOBSA-N -1 0 360.344 -0.580 20 0 FBADRM Cc1c[nH]cc1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000829888518 603940228 /nfs/dbraw/zinc/94/02/28/603940228.db2.gz FOKVSFGCMWXJNE-UHFFFAOYSA-N -1 0 356.404 -0.227 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000829889514 601259290 /nfs/dbraw/zinc/25/92/90/601259290.db2.gz CEAOOUXVDNEICQ-JTQLQIEISA-N -1 0 374.419 -0.244 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000829889516 601259251 /nfs/dbraw/zinc/25/92/51/601259251.db2.gz CEAOOUXVDNEICQ-SNVBAGLBSA-N -1 0 374.419 -0.244 20 0 FBADRM CCOC(=O)c1cnn(C)c1NC(=O)CN1CCO[C@@H](CC(=O)[O-])C1 ZINC000829890554 601453445 /nfs/dbraw/zinc/45/34/45/601453445.db2.gz YRYWINZASXUICE-JTQLQIEISA-N -1 0 354.363 -0.289 20 0 FBADRM CCOC(=O)c1cnn(C)c1NC(=O)CN1CCO[C@H](CC(=O)[O-])C1 ZINC000829890555 601453443 /nfs/dbraw/zinc/45/34/43/601453443.db2.gz YRYWINZASXUICE-SNVBAGLBSA-N -1 0 354.363 -0.289 20 0 FBADRM Cc1cc(=O)c(C(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)c[nH]1 ZINC000829893333 603709465 /nfs/dbraw/zinc/70/94/65/603709465.db2.gz FYKUZHAOQKHBAR-LLVKDONJSA-N -1 0 350.375 -0.081 20 0 FBADRM Cc1cc(=O)c(C(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)c[nH]1 ZINC000829893334 603709699 /nfs/dbraw/zinc/70/96/99/603709699.db2.gz FYKUZHAOQKHBAR-NSHDSACASA-N -1 0 350.375 -0.081 20 0 FBADRM Cc1cc(=O)n2nc(COC(=O)COC3CN(C(=O)[O-])C3)sc2n1 ZINC000829899516 603449726 /nfs/dbraw/zinc/44/97/26/603449726.db2.gz HGQAQBIRJNPOAS-UHFFFAOYSA-N -1 0 354.344 -0.119 20 0 FBADRM Cc1cc(=O)n2nc(COC(=O)[C@H]3CN(C(=O)[O-])CCO3)sc2n1 ZINC000829899685 605219804 /nfs/dbraw/zinc/21/98/04/605219804.db2.gz KNIHZRCITFTNET-MRVPVSSYSA-N -1 0 354.344 -0.119 20 0 FBADRM Cc1cc(=O)n2nc(COC(=O)[C@@H]3CN(C(=O)[O-])CCO3)sc2n1 ZINC000829899687 605219695 /nfs/dbraw/zinc/21/96/95/605219695.db2.gz KNIHZRCITFTNET-QMMMGPOBSA-N -1 0 354.344 -0.119 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)CC1 ZINC000829899740 661135739 /nfs/dbraw/zinc/13/57/39/661135739.db2.gz DSPROHWGARHAGM-GFCCVEGCSA-N -1 0 372.440 -0.514 20 0 FBADRM Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NCCNC(=O)[O-] ZINC000829899789 603567810 /nfs/dbraw/zinc/56/78/10/603567810.db2.gz MGDCAJAAUUTCQY-UHFFFAOYSA-N -1 0 352.391 -0.013 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)CC1 ZINC000829899873 661136004 /nfs/dbraw/zinc/13/60/04/661136004.db2.gz DSPROHWGARHAGM-LBPRGKRZSA-N -1 0 372.440 -0.514 20 0 FBADRM Cc1cc(=O)n2nc(COC(=O)[C@H]3COCCN3C(=O)[O-])sc2n1 ZINC000829901245 661135970 /nfs/dbraw/zinc/13/59/70/661135970.db2.gz YWTYFVQXAKTHSN-MRVPVSSYSA-N -1 0 354.344 -0.119 20 0 FBADRM Cc1cc(=O)n2nc(COC(=O)[C@@H]3COCCN3C(=O)[O-])sc2n1 ZINC000829901247 661136000 /nfs/dbraw/zinc/13/60/00/661136000.db2.gz YWTYFVQXAKTHSN-QMMMGPOBSA-N -1 0 354.344 -0.119 20 0 FBADRM Cc1cc(=O)n(C)cc1NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000829901382 604396841 /nfs/dbraw/zinc/39/68/41/604396841.db2.gz ZXLDMEIBOBGDTL-UHFFFAOYSA-N -1 0 351.363 -0.363 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000829904443 661135975 /nfs/dbraw/zinc/13/59/75/661135975.db2.gz CTHBFLFBHIMOER-GFCCVEGCSA-N -1 0 366.392 -0.218 20 0 FBADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000829904445 661136002 /nfs/dbraw/zinc/13/60/02/661136002.db2.gz CTHBFLFBHIMOER-LBPRGKRZSA-N -1 0 366.392 -0.218 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000829904528 601390438 /nfs/dbraw/zinc/39/04/38/601390438.db2.gz DDUBBRPCZPUJIK-GFCCVEGCSA-N -1 0 366.392 -0.218 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000829904530 601390400 /nfs/dbraw/zinc/39/04/00/601390400.db2.gz DDUBBRPCZPUJIK-LBPRGKRZSA-N -1 0 366.392 -0.218 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000829904733 601390407 /nfs/dbraw/zinc/39/04/07/601390407.db2.gz HFHMHXVVXJDARU-LLVKDONJSA-N -1 0 352.365 -0.479 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000829904734 601390453 /nfs/dbraw/zinc/39/04/53/601390453.db2.gz HFHMHXVVXJDARU-NSHDSACASA-N -1 0 352.365 -0.479 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000829905562 601391884 /nfs/dbraw/zinc/39/18/84/601391884.db2.gz XUSLGGHQEOLFJT-GFCCVEGCSA-N -1 0 366.392 -0.218 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000829905564 601392007 /nfs/dbraw/zinc/39/20/07/601392007.db2.gz XUSLGGHQEOLFJT-LBPRGKRZSA-N -1 0 366.392 -0.218 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000829905652 601389836 /nfs/dbraw/zinc/38/98/36/601389836.db2.gz YWTDEVRMKFOMDJ-LLVKDONJSA-N -1 0 352.365 -0.479 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000829905653 601390006 /nfs/dbraw/zinc/39/00/06/601390006.db2.gz YWTDEVRMKFOMDJ-NSHDSACASA-N -1 0 352.365 -0.479 20 0 FBADRM CCO[C@@H](C)c1noc(CN2CCN([C@H](C)C(=O)NCC(=O)[O-])CC2)n1 ZINC000829907125 601025754 /nfs/dbraw/zinc/02/57/54/601025754.db2.gz BBZBKKDLKQHCQC-NEPJUHHUSA-N -1 0 369.422 -0.126 20 0 FBADRM CCO[C@H](C)c1noc(CN2CCN([C@@H](C)C(=O)NCC(=O)[O-])CC2)n1 ZINC000829907126 601025347 /nfs/dbraw/zinc/02/53/47/601025347.db2.gz BBZBKKDLKQHCQC-NWDGAFQWSA-N -1 0 369.422 -0.126 20 0 FBADRM CCO[C@@H](C)c1noc(CN2CCN([C@@H](C)C(=O)NCC(=O)[O-])CC2)n1 ZINC000829907127 601025247 /nfs/dbraw/zinc/02/52/47/601025247.db2.gz BBZBKKDLKQHCQC-RYUDHWBXSA-N -1 0 369.422 -0.126 20 0 FBADRM CCO[C@H](C)c1noc(CN2CCN([C@H](C)C(=O)NCC(=O)[O-])CC2)n1 ZINC000829907128 601025704 /nfs/dbraw/zinc/02/57/04/601025704.db2.gz BBZBKKDLKQHCQC-VXGBXAGGSA-N -1 0 369.422 -0.126 20 0 FBADRM CCO[C@H](C)c1noc(CN2CCN(CC(=O)NCC(=O)[O-])CC2)n1 ZINC000829908403 600841733 /nfs/dbraw/zinc/84/17/33/600841733.db2.gz XYYBYOOIOUXNLM-LLVKDONJSA-N -1 0 355.395 -0.515 20 0 FBADRM CCO[C@@H](C)c1noc(CN2CCN(CC(=O)NCC(=O)[O-])CC2)n1 ZINC000829908406 600841884 /nfs/dbraw/zinc/84/18/84/600841884.db2.gz XYYBYOOIOUXNLM-NSHDSACASA-N -1 0 355.395 -0.515 20 0 FBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000829912988 661135983 /nfs/dbraw/zinc/13/59/83/661135983.db2.gz SFBKYQLOPYSKRU-LLVKDONJSA-N -1 0 351.359 -0.389 20 0 FBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000829912994 661135977 /nfs/dbraw/zinc/13/59/77/661135977.db2.gz SFBKYQLOPYSKRU-NSHDSACASA-N -1 0 351.359 -0.389 20 0 FBADRM COc1ccccc1CO[N-]C(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000829916989 661136273 /nfs/dbraw/zinc/13/62/73/661136273.db2.gz QMSFJJHMBKFIES-AAEUAGOBSA-N -1 0 372.399 -0.829 20 0 FBADRM COc1ccccc1CO[N-]C(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000829916990 661136293 /nfs/dbraw/zinc/13/62/93/661136293.db2.gz QMSFJJHMBKFIES-DGCLKSJQSA-N -1 0 372.399 -0.829 20 0 FBADRM COc1ccccc1CO[N-]C(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000829916991 661136322 /nfs/dbraw/zinc/13/63/22/661136322.db2.gz QMSFJJHMBKFIES-WCQYABFASA-N -1 0 372.399 -0.829 20 0 FBADRM COc1ccccc1CO[N-]C(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000829916992 661136298 /nfs/dbraw/zinc/13/62/98/661136298.db2.gz QMSFJJHMBKFIES-YPMHNXCESA-N -1 0 372.399 -0.829 20 0 FBADRM CCOC(Cn1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)nn1)OCC ZINC000829917432 601741839 /nfs/dbraw/zinc/74/18/39/601741839.db2.gz GGXNTMJGXFXNCN-LLVKDONJSA-N -1 0 356.379 -0.007 20 0 FBADRM CCOC(Cn1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)nn1)OCC ZINC000829917434 601741746 /nfs/dbraw/zinc/74/17/46/601741746.db2.gz GGXNTMJGXFXNCN-NSHDSACASA-N -1 0 356.379 -0.007 20 0 FBADRM Cc1cc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)[nH]n1 ZINC000829918645 603737233 /nfs/dbraw/zinc/73/72/33/603737233.db2.gz ACEVVGGLGICOSL-UHFFFAOYSA-N -1 0 357.392 -0.832 20 0 FBADRM Cc1cc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)nn1C ZINC000829919185 603737341 /nfs/dbraw/zinc/73/73/41/603737341.db2.gz HKCDUPWIVZEPBM-UHFFFAOYSA-N -1 0 371.419 -0.822 20 0 FBADRM Cc1cc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)on1 ZINC000829919490 603552273 /nfs/dbraw/zinc/55/22/73/603552273.db2.gz LTVIWDHIRYDVPO-UHFFFAOYSA-N -1 0 358.376 -0.567 20 0 FBADRM Cc1cc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)no1 ZINC000829920150 603552255 /nfs/dbraw/zinc/55/22/55/603552255.db2.gz VZMKAEZWHMFXGI-UHFFFAOYSA-N -1 0 358.376 -0.567 20 0 FBADRM Cc1cc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)n(C)n1 ZINC000829920189 603937807 /nfs/dbraw/zinc/93/78/07/603937807.db2.gz WTONTRDPWVPDGW-UHFFFAOYSA-N -1 0 371.419 -0.822 20 0 FBADRM Cc1cc(C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])ccc1S(N)(=O)=O ZINC000829930115 604406749 /nfs/dbraw/zinc/40/67/49/604406749.db2.gz IBSVRQZOXJAYJB-GFCCVEGCSA-N -1 0 370.431 -0.334 20 0 FBADRM Cc1cc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])ccc1S(N)(=O)=O ZINC000829930116 604406817 /nfs/dbraw/zinc/40/68/17/604406817.db2.gz IBSVRQZOXJAYJB-LBPRGKRZSA-N -1 0 370.431 -0.334 20 0 FBADRM Cc1cc(C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])ccc1-n1cnnn1 ZINC000829930186 604404185 /nfs/dbraw/zinc/40/41/85/604404185.db2.gz KLWKMGMYCRDGQE-CYBMUJFWSA-N -1 0 359.390 -0.005 20 0 FBADRM Cc1cc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])ccc1-n1cnnn1 ZINC000829930187 604403719 /nfs/dbraw/zinc/40/37/19/604403719.db2.gz KLWKMGMYCRDGQE-ZDUSSCGKSA-N -1 0 359.390 -0.005 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000829937909 604711890 /nfs/dbraw/zinc/71/18/90/604711890.db2.gz AQPQHIOHKFDREO-GXSJLCMTSA-N -1 0 362.408 -0.965 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000829937911 604711503 /nfs/dbraw/zinc/71/15/03/604711503.db2.gz AQPQHIOHKFDREO-KOLCDFICSA-N -1 0 362.408 -0.965 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000829937913 604711686 /nfs/dbraw/zinc/71/16/86/604711686.db2.gz AQPQHIOHKFDREO-MWLCHTKSSA-N -1 0 362.408 -0.965 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000829937915 604711737 /nfs/dbraw/zinc/71/17/37/604711737.db2.gz AQPQHIOHKFDREO-ONGXEEELSA-N -1 0 362.408 -0.965 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000829938714 604726665 /nfs/dbraw/zinc/72/66/65/604726665.db2.gz GNDYXFHXZJAFAR-CMPLNLGQSA-N -1 0 351.421 -0.083 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000829938715 604726475 /nfs/dbraw/zinc/72/64/75/604726475.db2.gz GNDYXFHXZJAFAR-JQWIXIFHSA-N -1 0 351.421 -0.083 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000829938716 604726550 /nfs/dbraw/zinc/72/65/50/604726550.db2.gz GNDYXFHXZJAFAR-PWSUYJOCSA-N -1 0 351.421 -0.083 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000829938717 604726556 /nfs/dbraw/zinc/72/65/56/604726556.db2.gz GNDYXFHXZJAFAR-ZYHUDNBSSA-N -1 0 351.421 -0.083 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000829939830 602295115 /nfs/dbraw/zinc/29/51/15/602295115.db2.gz OQIGSDVPJZJBOS-LLVKDONJSA-N -1 0 357.388 -0.568 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000829939831 602295065 /nfs/dbraw/zinc/29/50/65/602295065.db2.gz OQIGSDVPJZJBOS-NSHDSACASA-N -1 0 357.388 -0.568 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000829939948 602071201 /nfs/dbraw/zinc/07/12/01/602071201.db2.gz QDSWVUBVUYYPSF-LLVKDONJSA-N -1 0 357.388 -0.568 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000829939949 602071300 /nfs/dbraw/zinc/07/13/00/602071300.db2.gz QDSWVUBVUYYPSF-NSHDSACASA-N -1 0 357.388 -0.568 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000829940257 604719925 /nfs/dbraw/zinc/71/99/25/604719925.db2.gz SEPXFSOSAHYULL-KBPBESRZSA-N -1 0 371.434 -0.885 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000829940261 604719958 /nfs/dbraw/zinc/71/99/58/604719958.db2.gz SEPXFSOSAHYULL-KGLIPLIRSA-N -1 0 371.434 -0.885 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000829940264 604719911 /nfs/dbraw/zinc/71/99/11/604719911.db2.gz SEPXFSOSAHYULL-UONOGXRCSA-N -1 0 371.434 -0.885 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000829940266 604720075 /nfs/dbraw/zinc/72/00/75/604720075.db2.gz SEPXFSOSAHYULL-ZIAGYGMSSA-N -1 0 371.434 -0.885 20 0 FBADRM Cc1cc(C(=O)NCC(C)(C)NC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000829944823 603654765 /nfs/dbraw/zinc/65/47/65/603654765.db2.gz GOXVIBQGBOKXER-UHFFFAOYSA-N -1 0 363.374 -0.283 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC000829944851 602082421 /nfs/dbraw/zinc/08/24/21/602082421.db2.gz AEDFFRLSBWTQLS-GFCCVEGCSA-N -1 0 350.437 -0.004 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC000829944852 602082565 /nfs/dbraw/zinc/08/25/65/602082565.db2.gz AEDFFRLSBWTQLS-LBPRGKRZSA-N -1 0 350.437 -0.004 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CCNS(=O)(=O)c1cccnc1 ZINC000829945964 604728616 /nfs/dbraw/zinc/72/86/16/604728616.db2.gz HKWWRIUTZONCLT-GFCCVEGCSA-N -1 0 359.404 -0.302 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CCNS(=O)(=O)c1cccnc1 ZINC000829945968 604728656 /nfs/dbraw/zinc/72/86/56/604728656.db2.gz HKWWRIUTZONCLT-LBPRGKRZSA-N -1 0 359.404 -0.302 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 ZINC000829946787 604735745 /nfs/dbraw/zinc/73/57/45/604735745.db2.gz KFBYCOALUVTDRQ-NEPJUHHUSA-N -1 0 350.437 -0.004 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 ZINC000829946789 604735638 /nfs/dbraw/zinc/73/56/38/604735638.db2.gz KFBYCOALUVTDRQ-NWDGAFQWSA-N -1 0 350.437 -0.004 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 ZINC000829946792 604735823 /nfs/dbraw/zinc/73/58/23/604735823.db2.gz KFBYCOALUVTDRQ-RYUDHWBXSA-N -1 0 350.437 -0.004 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 ZINC000829946795 604735609 /nfs/dbraw/zinc/73/56/09/604735609.db2.gz KFBYCOALUVTDRQ-VXGBXAGGSA-N -1 0 350.437 -0.004 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000829947725 604725652 /nfs/dbraw/zinc/72/56/52/604725652.db2.gz NAOYJJFQXBQZRA-CMPLNLGQSA-N -1 0 357.388 -0.335 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000829947726 604725682 /nfs/dbraw/zinc/72/56/82/604725682.db2.gz NAOYJJFQXBQZRA-JQWIXIFHSA-N -1 0 357.388 -0.335 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000829947727 604725713 /nfs/dbraw/zinc/72/57/13/604725713.db2.gz NAOYJJFQXBQZRA-PWSUYJOCSA-N -1 0 357.388 -0.335 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000829947728 604725665 /nfs/dbraw/zinc/72/56/65/604725665.db2.gz NAOYJJFQXBQZRA-ZYHUDNBSSA-N -1 0 357.388 -0.335 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000829953945 604732174 /nfs/dbraw/zinc/73/21/74/604732174.db2.gz BKDXUAYADAJYIK-GFCCVEGCSA-N -1 0 359.404 -0.350 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000829953946 604732171 /nfs/dbraw/zinc/73/21/71/604732171.db2.gz BKDXUAYADAJYIK-LBPRGKRZSA-N -1 0 359.404 -0.350 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CNS(=O)(=O)c1cccs1 ZINC000829954219 602080123 /nfs/dbraw/zinc/08/01/23/602080123.db2.gz DHOWUPDCASRCIM-SECBINFHSA-N -1 0 350.418 -0.026 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CNS(=O)(=O)c1cccs1 ZINC000829954220 602079858 /nfs/dbraw/zinc/07/98/58/602079858.db2.gz DHOWUPDCASRCIM-VIFPVBQESA-N -1 0 350.418 -0.026 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000829954243 604717020 /nfs/dbraw/zinc/71/70/20/604717020.db2.gz DQWGIYSVQYXWPV-MRVPVSSYSA-N -1 0 367.362 -0.757 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000829954244 604717238 /nfs/dbraw/zinc/71/72/38/604717238.db2.gz DQWGIYSVQYXWPV-QMMMGPOBSA-N -1 0 367.362 -0.757 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000829954249 604719142 /nfs/dbraw/zinc/71/91/42/604719142.db2.gz DSUKJISXUSALTB-LLVKDONJSA-N -1 0 370.383 -0.221 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000829954250 604719250 /nfs/dbraw/zinc/71/92/50/604719250.db2.gz DSUKJISXUSALTB-NSHDSACASA-N -1 0 370.383 -0.221 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000829961946 604719411 /nfs/dbraw/zinc/71/94/11/604719411.db2.gz WQFDTFJCAWCWTO-SECBINFHSA-N -1 0 350.418 -0.114 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000829961948 604719289 /nfs/dbraw/zinc/71/92/89/604719289.db2.gz WQFDTFJCAWCWTO-VIFPVBQESA-N -1 0 350.418 -0.114 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000829966492 604736371 /nfs/dbraw/zinc/73/63/71/604736371.db2.gz HTPPTCQWMDHYBQ-LLVKDONJSA-N -1 0 366.374 -0.863 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000829966493 604736544 /nfs/dbraw/zinc/73/65/44/604736544.db2.gz HTPPTCQWMDHYBQ-NSHDSACASA-N -1 0 366.374 -0.863 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cc(OC)c(S(N)(=O)=O)s1 ZINC000829967083 604711611 /nfs/dbraw/zinc/71/16/11/604711611.db2.gz UTOMPIFFWWEDIU-SSDOTTSWSA-N -1 0 366.417 -0.034 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(OC)c(S(N)(=O)=O)s1 ZINC000829967084 604711990 /nfs/dbraw/zinc/71/19/90/604711990.db2.gz UTOMPIFFWWEDIU-ZETCQYMHSA-N -1 0 366.417 -0.034 20 0 FBADRM Cc1cc(C(=O)OC2(C)CN(C(=O)[O-])C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000829970207 604219549 /nfs/dbraw/zinc/21/95/49/604219549.db2.gz CLWOMQXGSXISEU-UHFFFAOYSA-N -1 0 362.342 -0.150 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000829972501 604733116 /nfs/dbraw/zinc/73/31/16/604733116.db2.gz DFBMTDGEUZYPGY-JTQLQIEISA-N -1 0 350.331 -0.404 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000829972502 604732994 /nfs/dbraw/zinc/73/29/94/604732994.db2.gz DFBMTDGEUZYPGY-SNVBAGLBSA-N -1 0 350.331 -0.404 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000829972997 604724169 /nfs/dbraw/zinc/72/41/69/604724169.db2.gz PELGYLIGWUAOJO-GFCCVEGCSA-N -1 0 372.399 -0.493 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000829972998 604724249 /nfs/dbraw/zinc/72/42/49/604724249.db2.gz PELGYLIGWUAOJO-LBPRGKRZSA-N -1 0 372.399 -0.493 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000829973077 604717999 /nfs/dbraw/zinc/71/79/99/604717999.db2.gz RDMZLHBUMYQKOK-LLVKDONJSA-N -1 0 364.358 -0.806 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000829973078 604717935 /nfs/dbraw/zinc/71/79/35/604717935.db2.gz RDMZLHBUMYQKOK-NSHDSACASA-N -1 0 364.358 -0.806 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000829973117 602077013 /nfs/dbraw/zinc/07/70/13/602077013.db2.gz SHLBAJGZRAXDDJ-LLVKDONJSA-N -1 0 364.358 -0.806 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000829973118 602076867 /nfs/dbraw/zinc/07/68/67/602076867.db2.gz SHLBAJGZRAXDDJ-NSHDSACASA-N -1 0 364.358 -0.806 20 0 FBADRM Cc1cc(C(=O)OC[C@@H](C)NC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000829977089 604203778 /nfs/dbraw/zinc/20/37/78/604203778.db2.gz UCBWCZBVFSRERT-MRVPVSSYSA-N -1 0 350.331 -0.246 20 0 FBADRM Cc1cc(C(=O)OC[C@H](C)NC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000829977093 604203713 /nfs/dbraw/zinc/20/37/13/604203713.db2.gz UCBWCZBVFSRERT-QMMMGPOBSA-N -1 0 350.331 -0.246 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000829978274 604498664 /nfs/dbraw/zinc/49/86/64/604498664.db2.gz GVWQUHSWMOOGAE-NEPJUHHUSA-N -1 0 366.436 -0.072 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000829978280 604498647 /nfs/dbraw/zinc/49/86/47/604498647.db2.gz GVWQUHSWMOOGAE-NWDGAFQWSA-N -1 0 366.436 -0.072 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000829978283 604498635 /nfs/dbraw/zinc/49/86/35/604498635.db2.gz GVWQUHSWMOOGAE-RYUDHWBXSA-N -1 0 366.436 -0.072 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000829978285 604498445 /nfs/dbraw/zinc/49/84/45/604498445.db2.gz GVWQUHSWMOOGAE-VXGBXAGGSA-N -1 0 366.436 -0.072 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)N1CCC[C@@H]1C(=O)OCC ZINC000829978413 604496526 /nfs/dbraw/zinc/49/65/26/604496526.db2.gz ILQNDPRBAIKXGX-GHMZBOCLSA-N -1 0 352.409 -0.320 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCC[C@@H]1C(=O)OCC ZINC000829978415 604496565 /nfs/dbraw/zinc/49/65/65/604496565.db2.gz ILQNDPRBAIKXGX-MNOVXSKESA-N -1 0 352.409 -0.320 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCC[C@H]1C(=O)OCC ZINC000829978417 604496539 /nfs/dbraw/zinc/49/65/39/604496539.db2.gz ILQNDPRBAIKXGX-QWRGUYRKSA-N -1 0 352.409 -0.320 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)N1CCC[C@H]1C(=O)OCC ZINC000829978419 604496616 /nfs/dbraw/zinc/49/66/16/604496616.db2.gz ILQNDPRBAIKXGX-WDEREUQCSA-N -1 0 352.409 -0.320 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000829978617 604498520 /nfs/dbraw/zinc/49/85/20/604498520.db2.gz LSWRZVJEFGGCSW-LLVKDONJSA-N -1 0 352.409 -0.462 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000829978618 604498551 /nfs/dbraw/zinc/49/85/51/604498551.db2.gz LSWRZVJEFGGCSW-NSHDSACASA-N -1 0 352.409 -0.462 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000829978685 604493490 /nfs/dbraw/zinc/49/34/90/604493490.db2.gz MXYQOQQGTNDVBA-GFCCVEGCSA-N -1 0 355.376 -0.228 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000829978686 604493492 /nfs/dbraw/zinc/49/34/92/604493492.db2.gz MXYQOQQGTNDVBA-LBPRGKRZSA-N -1 0 355.376 -0.228 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)N1CCN(C(=O)OCC)CC1 ZINC000829978923 604497109 /nfs/dbraw/zinc/49/71/09/604497109.db2.gz SWSWJKSQIBHCGC-LLVKDONJSA-N -1 0 367.424 -0.573 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCN(C(=O)OCC)CC1 ZINC000829978924 604497450 /nfs/dbraw/zinc/49/74/50/604497450.db2.gz SWSWJKSQIBHCGC-NSHDSACASA-N -1 0 367.424 -0.573 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000829984041 604494551 /nfs/dbraw/zinc/49/45/51/604494551.db2.gz FMTKOTLJTGXURK-CYBMUJFWSA-N -1 0 371.415 -0.013 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000829984044 604494529 /nfs/dbraw/zinc/49/45/29/604494529.db2.gz FMTKOTLJTGXURK-ZDUSSCGKSA-N -1 0 371.415 -0.013 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000829984133 604494660 /nfs/dbraw/zinc/49/46/60/604494660.db2.gz GXODYJWNWZMHLL-GFCCVEGCSA-N -1 0 369.403 -0.013 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000829984134 604494569 /nfs/dbraw/zinc/49/45/69/604494569.db2.gz GXODYJWNWZMHLL-LBPRGKRZSA-N -1 0 369.403 -0.013 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000829984286 604499387 /nfs/dbraw/zinc/49/93/87/604499387.db2.gz JLWFMICYRQBNMH-LLVKDONJSA-N -1 0 371.371 -0.673 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000829984289 604499327 /nfs/dbraw/zinc/49/93/27/604499327.db2.gz JLWFMICYRQBNMH-NSHDSACASA-N -1 0 371.371 -0.673 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000829984595 604499171 /nfs/dbraw/zinc/49/91/71/604499171.db2.gz OLOVEDXELSZJIP-LLVKDONJSA-N -1 0 366.417 -0.556 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000829984596 604499284 /nfs/dbraw/zinc/49/92/84/604499284.db2.gz OLOVEDXELSZJIP-NSHDSACASA-N -1 0 366.417 -0.556 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000829984674 604494686 /nfs/dbraw/zinc/49/46/86/604494686.db2.gz ONPIRTOOWGYVFS-GFCCVEGCSA-N -1 0 355.376 -0.228 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000829984676 604494547 /nfs/dbraw/zinc/49/45/47/604494547.db2.gz ONPIRTOOWGYVFS-LBPRGKRZSA-N -1 0 355.376 -0.228 20 0 FBADRM CCOC[C@H](C(=O)OC)N(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000829984745 604499841 /nfs/dbraw/zinc/49/98/41/604499841.db2.gz PTBAXYVVHFWROB-LLVKDONJSA-N -1 0 352.409 -0.462 20 0 FBADRM CCOC[C@@H](C(=O)OC)N(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000829984746 604499472 /nfs/dbraw/zinc/49/94/72/604499472.db2.gz PTBAXYVVHFWROB-NSHDSACASA-N -1 0 352.409 -0.462 20 0 FBADRM CCOC[C@H](O)CN1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC000829984789 601065147 /nfs/dbraw/zinc/06/51/47/601065147.db2.gz QOJXQNXDGWFIKC-GFCCVEGCSA-N -1 0 355.395 -0.485 20 0 FBADRM CCOC[C@@H](O)CN1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC000829984790 601065069 /nfs/dbraw/zinc/06/50/69/601065069.db2.gz QOJXQNXDGWFIKC-LBPRGKRZSA-N -1 0 355.395 -0.485 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(OC)c(C(N)=O)c1 ZINC000829984883 604497747 /nfs/dbraw/zinc/49/77/47/604497747.db2.gz SUVRTPFWOQWOMA-LLVKDONJSA-N -1 0 360.388 -0.096 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(OC)c(C(N)=O)c1 ZINC000829984884 604497766 /nfs/dbraw/zinc/49/77/66/604497766.db2.gz SUVRTPFWOQWOMA-NSHDSACASA-N -1 0 360.388 -0.096 20 0 FBADRM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000829985063 604497969 /nfs/dbraw/zinc/49/79/69/604497969.db2.gz WEKBNSHZEDGMFC-LLVKDONJSA-N -1 0 366.417 -0.556 20 0 FBADRM CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000829985064 604498055 /nfs/dbraw/zinc/49/80/55/604498055.db2.gz WEKBNSHZEDGMFC-NSHDSACASA-N -1 0 366.417 -0.556 20 0 FBADRM CCOCCCNC(=O)C1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000830000893 601285526 /nfs/dbraw/zinc/28/55/26/601285526.db2.gz OZZCSRJGRUNDAU-UHFFFAOYSA-N -1 0 367.406 -0.242 20 0 FBADRM CCOCCN1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@H]1C ZINC000830011271 600752143 /nfs/dbraw/zinc/75/21/43/600752143.db2.gz BNZOJPFGQFXHIJ-GFCCVEGCSA-N -1 0 360.436 -0.301 20 0 FBADRM CCOCCN1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@@H]1C ZINC000830011272 600751881 /nfs/dbraw/zinc/75/18/81/600751881.db2.gz BNZOJPFGQFXHIJ-LBPRGKRZSA-N -1 0 360.436 -0.301 20 0 FBADRM Cc1cc(C)n(CCN2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)n1 ZINC000830016322 603917986 /nfs/dbraw/zinc/91/79/86/603917986.db2.gz FCDHESNGPXOVBZ-UHFFFAOYSA-N -1 0 371.463 -0.190 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000830017017 602023246 /nfs/dbraw/zinc/02/32/46/602023246.db2.gz HDNUVHMIAPGOGR-AWEZNQCLSA-N -1 0 370.427 -0.020 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000830017018 602023214 /nfs/dbraw/zinc/02/32/14/602023214.db2.gz HDNUVHMIAPGOGR-CQSZACIVSA-N -1 0 370.427 -0.020 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000830017237 602048101 /nfs/dbraw/zinc/04/81/01/602048101.db2.gz ISSCROBEARQZCY-UHFFFAOYSA-N -1 0 352.409 -0.918 20 0 FBADRM Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])CCO2)n1 ZINC000830017478 603777342 /nfs/dbraw/zinc/77/73/42/603777342.db2.gz ORKOEQDDWHDAAB-HZSPNIEDSA-N -1 0 352.391 -0.159 20 0 FBADRM Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])CCO2)n1 ZINC000830017479 603777154 /nfs/dbraw/zinc/77/71/54/603777154.db2.gz ORKOEQDDWHDAAB-IHRRRGAJSA-N -1 0 352.391 -0.159 20 0 FBADRM Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])CCO2)n1 ZINC000830017480 603777396 /nfs/dbraw/zinc/77/73/96/603777396.db2.gz ORKOEQDDWHDAAB-MELADBBJSA-N -1 0 352.391 -0.159 20 0 FBADRM Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])CCO2)n1 ZINC000830017481 603777314 /nfs/dbraw/zinc/77/73/14/603777314.db2.gz ORKOEQDDWHDAAB-RDBSUJKOSA-N -1 0 352.391 -0.159 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000830017546 602019357 /nfs/dbraw/zinc/01/93/57/602019357.db2.gz ONHQKGUHWSYMBG-CYBMUJFWSA-N -1 0 372.399 -0.179 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000830017547 602019039 /nfs/dbraw/zinc/01/90/39/602019039.db2.gz ONHQKGUHWSYMBG-ZDUSSCGKSA-N -1 0 372.399 -0.179 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000830017894 602040191 /nfs/dbraw/zinc/04/01/91/602040191.db2.gz YZPZZCQDMLPUFE-JTQLQIEISA-N -1 0 354.450 -0.639 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC000830017898 602040103 /nfs/dbraw/zinc/04/01/03/602040103.db2.gz YZPZZCQDMLPUFE-SNVBAGLBSA-N -1 0 354.450 -0.639 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000830017922 602024306 /nfs/dbraw/zinc/02/43/06/602024306.db2.gz ZOCFFBPWRRCELM-LLVKDONJSA-N -1 0 350.418 -0.054 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000830017925 602024603 /nfs/dbraw/zinc/02/46/03/602024603.db2.gz ZOCFFBPWRRCELM-NSHDSACASA-N -1 0 350.418 -0.054 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)N(C)c1nc(CC(=O)[O-])cs1 ZINC000830017933 602035801 /nfs/dbraw/zinc/03/58/01/602035801.db2.gz ZXLYTSBQNUWNOG-UHFFFAOYSA-N -1 0 365.433 -0.311 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000830021974 602023190 /nfs/dbraw/zinc/02/31/90/602023190.db2.gz OJFMAYFDAHOWEV-UHFFFAOYSA-N -1 0 351.406 -0.335 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)N2CCCC[C@@H]2CC(=O)[O-])CC1 ZINC000830026658 661137136 /nfs/dbraw/zinc/13/71/36/661137136.db2.gz QOHGAGSJLKEUQX-LLVKDONJSA-N -1 0 369.465 -0.862 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)N2CCCC[C@H]2CC(=O)[O-])CC1 ZINC000830026659 661137088 /nfs/dbraw/zinc/13/70/88/661137088.db2.gz QOHGAGSJLKEUQX-NSHDSACASA-N -1 0 369.465 -0.862 20 0 FBADRM Cc1cc(CC(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)[nH]n1 ZINC000830028649 604229020 /nfs/dbraw/zinc/22/90/20/604229020.db2.gz AZPYEHWPXNEFFU-UHFFFAOYSA-N -1 0 371.419 -0.903 20 0 FBADRM Cc1cc(CC(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)no1 ZINC000830031850 604060523 /nfs/dbraw/zinc/06/05/23/604060523.db2.gz ZKYUZCRNLJRRKZ-UHFFFAOYSA-N -1 0 372.403 -0.638 20 0 FBADRM Cc1cc(CN2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)nn1C ZINC000830035396 605280095 /nfs/dbraw/zinc/28/00/95/605280095.db2.gz AGMFPYLSMSIMQM-UHFFFAOYSA-N -1 0 357.436 -0.462 20 0 FBADRM Cc1cc(C[C@H](C)NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)[nH]n1 ZINC000830035867 605290711 /nfs/dbraw/zinc/29/07/11/605290711.db2.gz GOICRRDBSLEGGY-JTQLQIEISA-N -1 0 352.395 -0.229 20 0 FBADRM Cc1cc(C[C@@H](C)NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)[nH]n1 ZINC000830035874 605290561 /nfs/dbraw/zinc/29/05/61/605290561.db2.gz GOICRRDBSLEGGY-SNVBAGLBSA-N -1 0 352.395 -0.229 20 0 FBADRM CCOc1cc(C(=O)NCCC(=O)NC(N)=O)ccc1OCC(=O)[O-] ZINC000830037417 602049243 /nfs/dbraw/zinc/04/92/43/602049243.db2.gz DGQWPEHPLYXAAF-UHFFFAOYSA-N -1 0 353.331 -0.137 20 0 FBADRM Cc1cc(CS(=O)(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)on1 ZINC000830045343 604206487 /nfs/dbraw/zinc/20/64/87/604206487.db2.gz NORSRUMYBOQEIF-UHFFFAOYSA-N -1 0 360.392 -0.433 20 0 FBADRM Cc1cc(CS(=O)(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)on1 ZINC000830045644 604206489 /nfs/dbraw/zinc/20/64/89/604206489.db2.gz QCUSABOELNTBDA-LLVKDONJSA-N -1 0 374.419 -0.091 20 0 FBADRM Cc1cc(CS(=O)(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)on1 ZINC000830045651 604206336 /nfs/dbraw/zinc/20/63/36/604206336.db2.gz QCUSABOELNTBDA-NSHDSACASA-N -1 0 374.419 -0.091 20 0 FBADRM O=C([O-])[C@]12CN(S(=O)(=O)c3cnn4c3OCCC4)C[C@H]1COCC2 ZINC000830053657 661137050 /nfs/dbraw/zinc/13/70/50/661137050.db2.gz NKVYVIOQIAPECA-IINYFYTJSA-N -1 0 357.388 -0.223 20 0 FBADRM COCCn1cc(S(=O)(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cn1 ZINC000830057637 661137426 /nfs/dbraw/zinc/13/74/26/661137426.db2.gz DECMMZDEIJGIGN-SMDDNHRTSA-N -1 0 359.404 -0.359 20 0 FBADRM COCCN(CCOC)S(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000830058106 661137487 /nfs/dbraw/zinc/13/74/87/661137487.db2.gz IOBLJZOGMGMRBT-GXTWGEPZSA-N -1 0 366.436 -0.751 20 0 FBADRM O=C([O-])[C@]12CN(S(=O)(=O)c3cnn([C@H]4CCOC4)c3)C[C@H]1COCC2 ZINC000830058194 661137375 /nfs/dbraw/zinc/13/73/75/661137375.db2.gz LKVWSQAWNXEUKF-SLEUVZQESA-N -1 0 371.415 -0.044 20 0 FBADRM O=C([O-])[C@]12CN(S(=O)(=O)c3cnn([C@@H]4CCOC4)c3)C[C@H]1COCC2 ZINC000830058195 661137484 /nfs/dbraw/zinc/13/74/84/661137484.db2.gz LKVWSQAWNXEUKF-YWPYICTPSA-N -1 0 371.415 -0.044 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cn1C ZINC000830058587 661137448 /nfs/dbraw/zinc/13/74/48/661137448.db2.gz WMGNBKSMMJHYLG-ZUZCIYMTSA-N -1 0 371.415 -0.504 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000830058717 661137404 /nfs/dbraw/zinc/13/74/04/661137404.db2.gz YSCFQCRREDLSTB-CMPLNLGQSA-N -1 0 355.434 -0.826 20 0 FBADRM CCOc1ccc(C[C@H](CNC(=O)CS(=O)(=O)NC)C(=O)[O-])cc1 ZINC000830070442 601341440 /nfs/dbraw/zinc/34/14/40/601341440.db2.gz BUXPOPJKNHEMCN-GFCCVEGCSA-N -1 0 358.416 -0.006 20 0 FBADRM CCOc1ccc(C[C@@H](CNC(=O)CS(=O)(=O)NC)C(=O)[O-])cc1 ZINC000830070451 601341508 /nfs/dbraw/zinc/34/15/08/601341508.db2.gz BUXPOPJKNHEMCN-LBPRGKRZSA-N -1 0 358.416 -0.006 20 0 FBADRM Cc1cc(N2CC[C@@H](NC(=O)COC3CN(C(=O)[O-])C3)C2=O)n(C)n1 ZINC000830072303 604020327 /nfs/dbraw/zinc/02/03/27/604020327.db2.gz CMAQUONRJADFAK-LLVKDONJSA-N -1 0 351.363 -0.671 20 0 FBADRM Cc1cc(N2CC[C@H](NC(=O)COC3CN(C(=O)[O-])C3)C2=O)n(C)n1 ZINC000830072304 604020252 /nfs/dbraw/zinc/02/02/52/604020252.db2.gz CMAQUONRJADFAK-NSHDSACASA-N -1 0 351.363 -0.671 20 0 FBADRM Cc1cc(N2CC[C@@H](NC(=O)[C@H]3CN(C(=O)[O-])CCO3)C2=O)n(C)n1 ZINC000830072465 604876571 /nfs/dbraw/zinc/87/65/71/604876571.db2.gz FSWAZWVMIFUBRF-GHMZBOCLSA-N -1 0 351.363 -0.671 20 0 FBADRM Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3CN(C(=O)[O-])CCO3)C2=O)n(C)n1 ZINC000830072467 604876916 /nfs/dbraw/zinc/87/69/16/604876916.db2.gz FSWAZWVMIFUBRF-MNOVXSKESA-N -1 0 351.363 -0.671 20 0 FBADRM Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CN(C(=O)[O-])CCO3)C2=O)n(C)n1 ZINC000830072468 604876758 /nfs/dbraw/zinc/87/67/58/604876758.db2.gz FSWAZWVMIFUBRF-QWRGUYRKSA-N -1 0 351.363 -0.671 20 0 FBADRM Cc1cc(N2CC[C@H](NC(=O)[C@H]3CN(C(=O)[O-])CCO3)C2=O)n(C)n1 ZINC000830072469 604876940 /nfs/dbraw/zinc/87/69/40/604876940.db2.gz FSWAZWVMIFUBRF-WDEREUQCSA-N -1 0 351.363 -0.671 20 0 FBADRM Cc1cc(N2CC[C@@H](NC(=O)N3CC[C@@H](NC(=O)[O-])C3)C2=O)n(C)n1 ZINC000830072568 604606707 /nfs/dbraw/zinc/60/67/07/604606707.db2.gz HARGVTQZOGREHW-GHMZBOCLSA-N -1 0 350.379 -0.115 20 0 FBADRM Cc1cc(N2CC[C@H](NC(=O)N3CC[C@@H](NC(=O)[O-])C3)C2=O)n(C)n1 ZINC000830072570 604606802 /nfs/dbraw/zinc/60/68/02/604606802.db2.gz HARGVTQZOGREHW-MNOVXSKESA-N -1 0 350.379 -0.115 20 0 FBADRM Cc1cc(N2CC[C@H](NC(=O)N3CC[C@H](NC(=O)[O-])C3)C2=O)n(C)n1 ZINC000830072572 605106332 /nfs/dbraw/zinc/10/63/32/605106332.db2.gz HARGVTQZOGREHW-QWRGUYRKSA-N -1 0 350.379 -0.115 20 0 FBADRM Cc1cc(N2CC[C@@H](NC(=O)N3CC[C@H](NC(=O)[O-])C3)C2=O)n(C)n1 ZINC000830072574 605106377 /nfs/dbraw/zinc/10/63/77/605106377.db2.gz HARGVTQZOGREHW-WDEREUQCSA-N -1 0 350.379 -0.115 20 0 FBADRM Cc1cc(N2CC[C@@H](NC(=O)[C@H]3COCCN3C(=O)[O-])C2=O)n(C)n1 ZINC000830072710 603069770 /nfs/dbraw/zinc/06/97/70/603069770.db2.gz ISUOKJNZFYEOQX-GHMZBOCLSA-N -1 0 351.363 -0.671 20 0 FBADRM Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3COCCN3C(=O)[O-])C2=O)n(C)n1 ZINC000830072711 603069864 /nfs/dbraw/zinc/06/98/64/603069864.db2.gz ISUOKJNZFYEOQX-MNOVXSKESA-N -1 0 351.363 -0.671 20 0 FBADRM Cc1cc(N2CC[C@H](NC(=O)[C@@H]3COCCN3C(=O)[O-])C2=O)n(C)n1 ZINC000830072712 603069631 /nfs/dbraw/zinc/06/96/31/603069631.db2.gz ISUOKJNZFYEOQX-QWRGUYRKSA-N -1 0 351.363 -0.671 20 0 FBADRM Cc1cc(N2CC[C@H](NC(=O)[C@H]3COCCN3C(=O)[O-])C2=O)n(C)n1 ZINC000830072713 603069667 /nfs/dbraw/zinc/06/96/67/603069667.db2.gz ISUOKJNZFYEOQX-WDEREUQCSA-N -1 0 351.363 -0.671 20 0 FBADRM Cc1cc(N2CC[C@H](NC(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])C2=O)n(C)n1 ZINC000830073078 603858993 /nfs/dbraw/zinc/85/89/93/603858993.db2.gz MVWIZJHZLZVRJB-DCAQKATOSA-N -1 0 351.363 -0.937 20 0 FBADRM Cc1cc(N2CC[C@H](NC(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])C2=O)n(C)n1 ZINC000830073079 603858978 /nfs/dbraw/zinc/85/89/78/603858978.db2.gz MVWIZJHZLZVRJB-GARJFASQSA-N -1 0 351.363 -0.937 20 0 FBADRM Cc1cc(N2CC[C@H](NC(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])C2=O)n(C)n1 ZINC000830073080 603859442 /nfs/dbraw/zinc/85/94/42/603859442.db2.gz MVWIZJHZLZVRJB-OUAUKWLOSA-N -1 0 351.363 -0.937 20 0 FBADRM Cc1cc(N2CC[C@H](NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])C2=O)n(C)n1 ZINC000830073081 603859713 /nfs/dbraw/zinc/85/97/13/603859713.db2.gz MVWIZJHZLZVRJB-VWYCJHECSA-N -1 0 351.363 -0.937 20 0 FBADRM Cc1cc(N2CC[C@H](NC(=O)C[C@@H]3CN(C(=O)[O-])CCO3)C2=O)n(C)n1 ZINC000830073316 604877004 /nfs/dbraw/zinc/87/70/04/604877004.db2.gz QBTOGCXGSSPEJP-NEPJUHHUSA-N -1 0 365.390 -0.281 20 0 FBADRM Cc1cc(N2CC[C@@H](NC(=O)C[C@H]3CN(C(=O)[O-])CCO3)C2=O)n(C)n1 ZINC000830073323 604876809 /nfs/dbraw/zinc/87/68/09/604876809.db2.gz QBTOGCXGSSPEJP-NWDGAFQWSA-N -1 0 365.390 -0.281 20 0 FBADRM Cc1cc(N2CC[C@H](NC(=O)C[C@H]3CN(C(=O)[O-])CCO3)C2=O)n(C)n1 ZINC000830073324 604877051 /nfs/dbraw/zinc/87/70/51/604877051.db2.gz QBTOGCXGSSPEJP-RYUDHWBXSA-N -1 0 365.390 -0.281 20 0 FBADRM Cc1cc(N2CC[C@@H](NC(=O)C[C@@H]3CN(C(=O)[O-])CCO3)C2=O)n(C)n1 ZINC000830073325 604876648 /nfs/dbraw/zinc/87/66/48/604876648.db2.gz QBTOGCXGSSPEJP-VXGBXAGGSA-N -1 0 365.390 -0.281 20 0 FBADRM Cc1cc(N2CC[C@@H](NC(=O)N[C@@H]3CCN(C(=O)[O-])C3)C2=O)n(C)n1 ZINC000830077718 603785923 /nfs/dbraw/zinc/78/59/23/603785923.db2.gz FRKJASGPJZULJC-GHMZBOCLSA-N -1 0 350.379 -0.115 20 0 FBADRM Cc1cc(N2CC[C@H](NC(=O)N[C@@H]3CCN(C(=O)[O-])C3)C2=O)n(C)n1 ZINC000830077719 603786116 /nfs/dbraw/zinc/78/61/16/603786116.db2.gz FRKJASGPJZULJC-MNOVXSKESA-N -1 0 350.379 -0.115 20 0 FBADRM Cc1cc(N2CC[C@H](NC(=O)N[C@H]3CCN(C(=O)[O-])C3)C2=O)n(C)n1 ZINC000830077720 603786192 /nfs/dbraw/zinc/78/61/92/603786192.db2.gz FRKJASGPJZULJC-QWRGUYRKSA-N -1 0 350.379 -0.115 20 0 FBADRM Cc1cc(N2CC[C@@H](NC(=O)N[C@H]3CCN(C(=O)[O-])C3)C2=O)n(C)n1 ZINC000830077721 603785775 /nfs/dbraw/zinc/78/57/75/603785775.db2.gz FRKJASGPJZULJC-WDEREUQCSA-N -1 0 350.379 -0.115 20 0 FBADRM Cc1cc(N2CCC[C@H](NC(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])C2=O)n(C)n1 ZINC000830078084 603869128 /nfs/dbraw/zinc/86/91/28/603869128.db2.gz JLOIMCSMTDXQHC-GRYCIOLGSA-N -1 0 365.390 -0.547 20 0 FBADRM Cc1cc(N2CCC[C@H](NC(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])C2=O)n(C)n1 ZINC000830078085 603869564 /nfs/dbraw/zinc/86/95/64/603869564.db2.gz JLOIMCSMTDXQHC-SDDRHHMPSA-N -1 0 365.390 -0.547 20 0 FBADRM Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])C2=O)n(C)n1 ZINC000830078086 603869483 /nfs/dbraw/zinc/86/94/83/603869483.db2.gz JLOIMCSMTDXQHC-SRVKXCTJSA-N -1 0 365.390 -0.547 20 0 FBADRM Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])C2=O)n(C)n1 ZINC000830078087 603869597 /nfs/dbraw/zinc/86/95/97/603869597.db2.gz JLOIMCSMTDXQHC-WOPDTQHZSA-N -1 0 365.390 -0.547 20 0 FBADRM Cc1cc(N2CC[C@@H](OC(=O)[C@H]3CN(C(=O)[O-])CCO3)C2=O)n(C)n1 ZINC000830078134 605216086 /nfs/dbraw/zinc/21/60/86/605216086.db2.gz KGYAGNVBFFXTCP-GHMZBOCLSA-N -1 0 352.347 -0.244 20 0 FBADRM Cc1cc(N2CC[C@@H](OC(=O)[C@@H]3CN(C(=O)[O-])CCO3)C2=O)n(C)n1 ZINC000830078137 605215630 /nfs/dbraw/zinc/21/56/30/605215630.db2.gz KGYAGNVBFFXTCP-MNOVXSKESA-N -1 0 352.347 -0.244 20 0 FBADRM Cc1cc(N2CC[C@H](OC(=O)[C@@H]3CN(C(=O)[O-])CCO3)C2=O)n(C)n1 ZINC000830078139 605215874 /nfs/dbraw/zinc/21/58/74/605215874.db2.gz KGYAGNVBFFXTCP-QWRGUYRKSA-N -1 0 352.347 -0.244 20 0 FBADRM Cc1cc(N2CC[C@H](OC(=O)[C@H]3CN(C(=O)[O-])CCO3)C2=O)n(C)n1 ZINC000830078141 605215978 /nfs/dbraw/zinc/21/59/78/605215978.db2.gz KGYAGNVBFFXTCP-WDEREUQCSA-N -1 0 352.347 -0.244 20 0 FBADRM Cc1cc(N2CCC[C@@H](NC(=O)NC3CN(C(=O)[O-])C3)C2=O)n(C)n1 ZINC000830078773 604592615 /nfs/dbraw/zinc/59/26/15/604592615.db2.gz OOWZQBBEKMOVRJ-LLVKDONJSA-N -1 0 350.379 -0.115 20 0 FBADRM Cc1cc(N2CCC[C@H](NC(=O)NC3CN(C(=O)[O-])C3)C2=O)n(C)n1 ZINC000830078775 604592779 /nfs/dbraw/zinc/59/27/79/604592779.db2.gz OOWZQBBEKMOVRJ-NSHDSACASA-N -1 0 350.379 -0.115 20 0 FBADRM Cc1cc(N2CCC[C@@H](NC(=O)COCCNC(=O)[O-])C2=O)n(C)n1 ZINC000830079107 603223939 /nfs/dbraw/zinc/22/39/39/603223939.db2.gz QFPRKNPHXSKVRW-LLVKDONJSA-N -1 0 353.379 -0.376 20 0 FBADRM Cc1cc(N2CCC[C@H](NC(=O)COCCNC(=O)[O-])C2=O)n(C)n1 ZINC000830079114 603223771 /nfs/dbraw/zinc/22/37/71/603223771.db2.gz QFPRKNPHXSKVRW-NSHDSACASA-N -1 0 353.379 -0.376 20 0 FBADRM Cc1cc(N2CC[C@@H](OC(=O)COC3CN(C(=O)[O-])C3)C2=O)n(C)n1 ZINC000830079450 603447848 /nfs/dbraw/zinc/44/78/48/603447848.db2.gz SWDRKYUZNLPJLZ-LLVKDONJSA-N -1 0 352.347 -0.244 20 0 FBADRM Cc1cc(N2CC[C@H](OC(=O)COC3CN(C(=O)[O-])C3)C2=O)n(C)n1 ZINC000830079452 603448419 /nfs/dbraw/zinc/44/84/19/603448419.db2.gz SWDRKYUZNLPJLZ-NSHDSACASA-N -1 0 352.347 -0.244 20 0 FBADRM Cc1cc(N2CCC[C@@H](NC(=O)[C@@H]3CN(C(=O)[O-])CCO3)C2=O)n(C)n1 ZINC000830079541 604878876 /nfs/dbraw/zinc/87/88/76/604878876.db2.gz URIJVVLQEZUNBT-NEPJUHHUSA-N -1 0 365.390 -0.281 20 0 FBADRM Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CN(C(=O)[O-])CCO3)C2=O)n(C)n1 ZINC000830079543 604879163 /nfs/dbraw/zinc/87/91/63/604879163.db2.gz URIJVVLQEZUNBT-NWDGAFQWSA-N -1 0 365.390 -0.281 20 0 FBADRM Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CN(C(=O)[O-])CCO3)C2=O)n(C)n1 ZINC000830079545 604878976 /nfs/dbraw/zinc/87/89/76/604878976.db2.gz URIJVVLQEZUNBT-RYUDHWBXSA-N -1 0 365.390 -0.281 20 0 FBADRM Cc1cc(N2CCC[C@@H](NC(=O)[C@H]3CN(C(=O)[O-])CCO3)C2=O)n(C)n1 ZINC000830079594 604879141 /nfs/dbraw/zinc/87/91/41/604879141.db2.gz URIJVVLQEZUNBT-VXGBXAGGSA-N -1 0 365.390 -0.281 20 0 FBADRM Cc1cc(N2CC[C@@H](NC(=O)N3CCN(C(=O)[O-])CC3)C2=O)n(C)n1 ZINC000830079843 603436717 /nfs/dbraw/zinc/43/67/17/603436717.db2.gz WWXCNKQRPKHDAF-LLVKDONJSA-N -1 0 350.379 -0.161 20 0 FBADRM Cc1cc(N2CC[C@H](NC(=O)N3CCN(C(=O)[O-])CC3)C2=O)n(C)n1 ZINC000830079844 603436640 /nfs/dbraw/zinc/43/66/40/603436640.db2.gz WWXCNKQRPKHDAF-NSHDSACASA-N -1 0 350.379 -0.161 20 0 FBADRM Cc1cc(N2CCC[C@@H](NC(=O)COC3CN(C(=O)[O-])C3)C2=O)n(C)n1 ZINC000830080057 604021888 /nfs/dbraw/zinc/02/18/88/604021888.db2.gz YJUAISQOQDZUCA-GFCCVEGCSA-N -1 0 365.390 -0.281 20 0 FBADRM Cc1cc(N2CCC[C@H](NC(=O)COC3CN(C(=O)[O-])C3)C2=O)n(C)n1 ZINC000830080058 604021602 /nfs/dbraw/zinc/02/16/02/604021602.db2.gz YJUAISQOQDZUCA-LBPRGKRZSA-N -1 0 365.390 -0.281 20 0 FBADRM Cc1cc(N2CCC[C@@H](NC(=O)[C@@H]3COCCN3C(=O)[O-])C2=O)n(C)n1 ZINC000830080195 603223877 /nfs/dbraw/zinc/22/38/77/603223877.db2.gz ZRRLNWUJKRCHTP-NEPJUHHUSA-N -1 0 365.390 -0.281 20 0 FBADRM Cc1cc(N2CCC[C@H](NC(=O)[C@H]3COCCN3C(=O)[O-])C2=O)n(C)n1 ZINC000830080196 603223881 /nfs/dbraw/zinc/22/38/81/603223881.db2.gz ZRRLNWUJKRCHTP-NWDGAFQWSA-N -1 0 365.390 -0.281 20 0 FBADRM Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3COCCN3C(=O)[O-])C2=O)n(C)n1 ZINC000830080197 603224044 /nfs/dbraw/zinc/22/40/44/603224044.db2.gz ZRRLNWUJKRCHTP-RYUDHWBXSA-N -1 0 365.390 -0.281 20 0 FBADRM Cc1cc(N2CCC[C@@H](NC(=O)[C@H]3COCCN3C(=O)[O-])C2=O)n(C)n1 ZINC000830080198 603224030 /nfs/dbraw/zinc/22/40/30/603224030.db2.gz ZRRLNWUJKRCHTP-VXGBXAGGSA-N -1 0 365.390 -0.281 20 0 FBADRM Cc1cc(NC(=O)C(=O)NCCN2CCN(C(=O)[O-])CC2)c(=O)n(C)c1 ZINC000830089761 605090602 /nfs/dbraw/zinc/09/06/02/605090602.db2.gz NNBUUSXELULOQW-UHFFFAOYSA-N -1 0 365.390 -0.956 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)c(=O)n(C)c1 ZINC000830090766 605108738 /nfs/dbraw/zinc/10/87/38/605108738.db2.gz VMTFHVKUWLSARC-CMPLNLGQSA-N -1 0 366.374 -0.484 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)c(=O)n(C)c1 ZINC000830090772 605108888 /nfs/dbraw/zinc/10/88/88/605108888.db2.gz VMTFHVKUWLSARC-JQWIXIFHSA-N -1 0 366.374 -0.484 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)c(=O)n(C)c1 ZINC000830090775 605108768 /nfs/dbraw/zinc/10/87/68/605108768.db2.gz VMTFHVKUWLSARC-PWSUYJOCSA-N -1 0 366.374 -0.484 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)c(=O)n(C)c1 ZINC000830090778 605108745 /nfs/dbraw/zinc/10/87/45/605108745.db2.gz VMTFHVKUWLSARC-ZYHUDNBSSA-N -1 0 366.374 -0.484 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC000830098324 661137998 /nfs/dbraw/zinc/13/79/98/661137998.db2.gz PWSCBFKPAAOCDD-GFCCVEGCSA-N -1 0 372.465 -0.789 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC000830098329 661138075 /nfs/dbraw/zinc/13/80/75/661138075.db2.gz PWSCBFKPAAOCDD-LBPRGKRZSA-N -1 0 372.465 -0.789 20 0 FBADRM Cc1cc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000830098482 604742108 /nfs/dbraw/zinc/74/21/08/604742108.db2.gz VDCVANDZEAADPW-GHMZBOCLSA-N -1 0 372.403 -0.132 20 0 FBADRM Cc1cc(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000830098483 604742263 /nfs/dbraw/zinc/74/22/63/604742263.db2.gz VDCVANDZEAADPW-MNOVXSKESA-N -1 0 372.403 -0.132 20 0 FBADRM Cc1cc(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000830098484 604742488 /nfs/dbraw/zinc/74/24/88/604742488.db2.gz VDCVANDZEAADPW-QWRGUYRKSA-N -1 0 372.403 -0.132 20 0 FBADRM Cc1cc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000830098485 604742322 /nfs/dbraw/zinc/74/23/22/604742322.db2.gz VDCVANDZEAADPW-WDEREUQCSA-N -1 0 372.403 -0.132 20 0 FBADRM Cc1cc(NC(=O)CN2CCN(C(=O)NC3CN(C(=O)[O-])C3)CC2)no1 ZINC000830102886 604606140 /nfs/dbraw/zinc/60/61/40/604606140.db2.gz BTFPONQDFGVGLM-UHFFFAOYSA-N -1 0 366.378 -0.389 20 0 FBADRM Cc1cc(NC(=O)CCN2C(=O)N[C@]3(CCN(C(=O)[O-])C3)C2=O)no1 ZINC000830103099 605297857 /nfs/dbraw/zinc/29/78/57/605297857.db2.gz DVDONAQLWXEHPI-AWEZNQCLSA-N -1 0 351.319 -0.014 20 0 FBADRM Cc1cc(NC(=O)CCN2C(=O)N[C@@]3(CCN(C(=O)[O-])C3)C2=O)no1 ZINC000830103109 605297886 /nfs/dbraw/zinc/29/78/86/605297886.db2.gz DVDONAQLWXEHPI-CQSZACIVSA-N -1 0 351.319 -0.014 20 0 FBADRM Cc1cc(NC(=O)CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)on1 ZINC000830103762 603873936 /nfs/dbraw/zinc/87/39/36/603873936.db2.gz MTWLYAOZUOHSKE-UHFFFAOYSA-N -1 0 351.319 -0.014 20 0 FBADRM Cc1cc(NC(=O)CN2C(=O)N[C@]3(CCN(C(=O)[O-])C3)C2=O)n(C)n1 ZINC000830103841 605345322 /nfs/dbraw/zinc/34/53/22/605345322.db2.gz OECLCKUERDCFST-AWEZNQCLSA-N -1 0 350.335 -0.659 20 0 FBADRM Cc1cc(NC(=O)CN2C(=O)N[C@@]3(CCN(C(=O)[O-])C3)C2=O)n(C)n1 ZINC000830103855 605344650 /nfs/dbraw/zinc/34/46/50/605344650.db2.gz OECLCKUERDCFST-CQSZACIVSA-N -1 0 350.335 -0.659 20 0 FBADRM Cc1cc(NC(=O)CN2CCN(C(=O)C3(NC(=O)[O-])CC3)CC2)no1 ZINC000830104462 604424068 /nfs/dbraw/zinc/42/40/68/604424068.db2.gz XOAHYDABUNXDLH-UHFFFAOYSA-N -1 0 351.363 -0.134 20 0 FBADRM Cc1cc(NC(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)no1 ZINC000830107498 604244556 /nfs/dbraw/zinc/24/45/56/604244556.db2.gz NCAMJGOQLVDQQP-UHFFFAOYSA-N -1 0 373.391 -0.175 20 0 FBADRM Cc1cc(NC(=O)COC2CN(C(=O)[O-])C2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000830108519 603749276 /nfs/dbraw/zinc/74/92/76/603749276.db2.gz ZZFJGTYDLQOOKF-JTQLQIEISA-N -1 0 372.403 -0.132 20 0 FBADRM Cc1cc(NC(=O)COC2CN(C(=O)[O-])C2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000830108521 603749587 /nfs/dbraw/zinc/74/95/87/603749587.db2.gz ZZFJGTYDLQOOKF-SNVBAGLBSA-N -1 0 372.403 -0.132 20 0 FBADRM Cc1cc(NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c(=O)n(C)c1 ZINC000830116554 604380723 /nfs/dbraw/zinc/38/07/23/604380723.db2.gz DMJWYAAXUMNGBG-UHFFFAOYSA-N -1 0 351.363 -0.363 20 0 FBADRM CCOc1ccnc(N2CCCN(CC(=O)NCCC(=O)[O-])CC2)n1 ZINC000830116827 604682487 /nfs/dbraw/zinc/68/24/87/604682487.db2.gz FGIHZYNMRMZESP-UHFFFAOYSA-N -1 0 351.407 -0.022 20 0 FBADRM CCOc1ccnc(N2CCCN([C@H](C)C(=O)NCC(=O)[O-])CC2)n1 ZINC000830116842 604682027 /nfs/dbraw/zinc/68/20/27/604682027.db2.gz GPUKVPBQJDIFJJ-GFCCVEGCSA-N -1 0 351.407 -0.023 20 0 FBADRM CCOc1ccnc(N2CCCN([C@@H](C)C(=O)NCC(=O)[O-])CC2)n1 ZINC000830116843 604682327 /nfs/dbraw/zinc/68/23/27/604682327.db2.gz GPUKVPBQJDIFJJ-LBPRGKRZSA-N -1 0 351.407 -0.023 20 0 FBADRM Cc1cc(=O)[nH]c(CN2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)n1 ZINC000830121963 661138327 /nfs/dbraw/zinc/13/83/27/661138327.db2.gz IQLMIKDYJKDJMU-UHFFFAOYSA-N -1 0 371.419 -0.700 20 0 FBADRM CCOc1ccnc(N2CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC2)n1 ZINC000830123268 601261697 /nfs/dbraw/zinc/26/16/97/601261697.db2.gz SVUBWSGUDPAWCR-UHFFFAOYSA-N -1 0 373.435 -0.351 20 0 FBADRM Cc1cc(O)cc(=O)n1CC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000830123270 603876614 /nfs/dbraw/zinc/87/66/14/603876614.db2.gz SPIDBWIWSUBDFY-UHFFFAOYSA-N -1 0 352.391 -0.336 20 0 FBADRM CCOc1ccnc(N2CCN(C(=O)Cn3cc(C(=O)[O-])nn3)CC2)n1 ZINC000830123333 601283058 /nfs/dbraw/zinc/28/30/58/601283058.db2.gz VSGHSSGECVTDGJ-UHFFFAOYSA-N -1 0 361.362 -0.486 20 0 FBADRM Cc1cc(O)cc(=O)n1CC(=O)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000830123380 604358127 /nfs/dbraw/zinc/35/81/27/604358127.db2.gz VDFNBJXLGXCMNL-UHFFFAOYSA-N -1 0 352.391 -0.384 20 0 FBADRM Cc1cc(O)cc(=O)n1CC(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000830123615 604349597 /nfs/dbraw/zinc/34/95/97/604349597.db2.gz XYLFQVNQIDDBOE-UHFFFAOYSA-N -1 0 366.374 -0.857 20 0 FBADRM CCS(=O)(=O)N(C)CCCNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000830125309 601507420 /nfs/dbraw/zinc/50/74/20/601507420.db2.gz ASGWPVVZJLYPPN-UHFFFAOYSA-N -1 0 356.466 -0.168 20 0 FBADRM CCS(=O)(=O)N(C)C1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC000830125918 601789616 /nfs/dbraw/zinc/78/96/16/601789616.db2.gz JUMLRTVNYOHBTR-JTQLQIEISA-N -1 0 356.466 -0.217 20 0 FBADRM CCS(=O)(=O)N(C)C1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC000830125921 601789677 /nfs/dbraw/zinc/78/96/77/601789677.db2.gz JUMLRTVNYOHBTR-SNVBAGLBSA-N -1 0 356.466 -0.217 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000830126857 601767144 /nfs/dbraw/zinc/76/71/44/601767144.db2.gz XBEYFYQEPMJIJW-LLVKDONJSA-N -1 0 351.425 -0.457 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000830126860 601767234 /nfs/dbraw/zinc/76/72/34/601767234.db2.gz XBEYFYQEPMJIJW-NSHDSACASA-N -1 0 351.425 -0.457 20 0 FBADRM CCOc1ncnc2c1CN(S(=O)(=O)c1cnn(CC(=O)[O-])c1)CC2 ZINC000830126872 601522115 /nfs/dbraw/zinc/52/21/15/601522115.db2.gz XGBFMPKAGKENKF-UHFFFAOYSA-N -1 0 367.387 -0.097 20 0 FBADRM CCS(=O)(=O)NCC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000830130422 604596202 /nfs/dbraw/zinc/59/62/02/604596202.db2.gz AXBUJGGLEJRRHM-UHFFFAOYSA-N -1 0 357.388 -0.692 20 0 FBADRM CCS(=O)(=O)NCC(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000830130434 604601688 /nfs/dbraw/zinc/60/16/88/604601688.db2.gz BQMVBNLAXDXEBM-UHFFFAOYSA-N -1 0 350.393 -0.627 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000830130444 601470467 /nfs/dbraw/zinc/47/04/67/601470467.db2.gz CNTLBCULRJCDEP-UHFFFAOYSA-N -1 0 371.415 -0.302 20 0 FBADRM CCS(=O)(=O)N1CCC(NC(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC000830130461 601764508 /nfs/dbraw/zinc/76/45/08/601764508.db2.gz DRSXHSRGJSEBHV-GFCCVEGCSA-N -1 0 363.436 -0.314 20 0 FBADRM CCS(=O)(=O)N1CCC(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC000830130462 601764477 /nfs/dbraw/zinc/76/44/77/601764477.db2.gz DRSXHSRGJSEBHV-LBPRGKRZSA-N -1 0 363.436 -0.314 20 0 FBADRM CCS(=O)(=O)N1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC000830130463 601511595 /nfs/dbraw/zinc/51/15/95/601511595.db2.gz DSUISKMXMGPFQN-UHFFFAOYSA-N -1 0 354.450 -0.462 20 0 FBADRM CCS(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000830130520 604601661 /nfs/dbraw/zinc/60/16/61/604601661.db2.gz HSPPLAYXATVWLP-JTQLQIEISA-N -1 0 372.399 -0.128 20 0 FBADRM CCS(=O)(=O)NCC(=O)O[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000830130522 604601531 /nfs/dbraw/zinc/60/15/31/604601531.db2.gz HSPPLAYXATVWLP-SNVBAGLBSA-N -1 0 372.399 -0.128 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)OCCc2cn(CC(=O)[O-])nn2)CC1 ZINC000830130533 604694657 /nfs/dbraw/zinc/69/46/57/604694657.db2.gz IEEXIWZRQSQBDG-UHFFFAOYSA-N -1 0 374.419 -0.490 20 0 FBADRM CCS(=O)(=O)NCC(=O)OCC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000830130632 604601715 /nfs/dbraw/zinc/60/17/15/604601715.db2.gz IUYUTPNAWRHUCC-UHFFFAOYSA-N -1 0 373.387 -0.125 20 0 FBADRM CCS(=O)(=O)NCC(=O)OCC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000830130799 604601726 /nfs/dbraw/zinc/60/17/26/604601726.db2.gz NGKNVTARDXAZOF-UHFFFAOYSA-N -1 0 358.372 -0.170 20 0 FBADRM CCS(=O)(=O)NC1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC000830130998 601507557 /nfs/dbraw/zinc/50/75/57/601507557.db2.gz PCEGBDQBPLGSHI-UHFFFAOYSA-N -1 0 368.477 -0.025 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)OCCc2cn(CC(=O)[O-])nn2)C1 ZINC000830131045 604704130 /nfs/dbraw/zinc/70/41/30/604704130.db2.gz PROLUXGTISGUDH-LLVKDONJSA-N -1 0 374.419 -0.490 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)OCCc2cn(CC(=O)[O-])nn2)C1 ZINC000830131046 604703907 /nfs/dbraw/zinc/70/39/07/604703907.db2.gz PROLUXGTISGUDH-NSHDSACASA-N -1 0 374.419 -0.490 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000830131068 602125022 /nfs/dbraw/zinc/12/50/22/602125022.db2.gz QLXKBEYERBTIDI-UHFFFAOYSA-N -1 0 371.415 -0.302 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC000830131069 600883659 /nfs/dbraw/zinc/88/36/59/600883659.db2.gz QQAQISBOEORTGT-UHFFFAOYSA-N -1 0 363.417 -0.170 20 0 FBADRM CCS(=O)(=O)NCC(=O)OCCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000830131360 604601850 /nfs/dbraw/zinc/60/18/50/604601850.db2.gz UXWQLOFYZHMNQK-POHAHGRESA-N -1 0 366.417 -0.640 20 0 FBADRM CCS(=O)(=O)NCC(=O)OCC(=O)Nc1ccsc1C(=O)[O-] ZINC000830131384 604601832 /nfs/dbraw/zinc/60/18/32/604601832.db2.gz VYBXAYMBODHQAQ-UHFFFAOYSA-N -1 0 350.374 -0.133 20 0 FBADRM CCS(=O)(=O)NCC(=O)O[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000830131409 604601512 /nfs/dbraw/zinc/60/15/12/604601512.db2.gz WKNPMVCJKDCNNQ-SECBINFHSA-N -1 0 350.393 -0.819 20 0 FBADRM CCS(=O)(=O)NCC(=O)O[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000830131410 604601760 /nfs/dbraw/zinc/60/17/60/604601760.db2.gz WKNPMVCJKDCNNQ-VIFPVBQESA-N -1 0 350.393 -0.819 20 0 FBADRM CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830131458 604533264 /nfs/dbraw/zinc/53/32/64/604533264.db2.gz XUZXZCBTPMWVRF-UHFFFAOYSA-N -1 0 363.417 -0.170 20 0 FBADRM CCS(=O)(=O)NCCCNS(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000830131467 601218931 /nfs/dbraw/zinc/21/89/31/601218931.db2.gz YGPHMDMZHYPWSJ-UHFFFAOYSA-N -1 0 354.406 -0.106 20 0 FBADRM CCS(=O)(=O)NC1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC000830131500 601055780 /nfs/dbraw/zinc/05/57/80/601055780.db2.gz ZUPNIXXVQITEDB-UHFFFAOYSA-N -1 0 359.408 -0.097 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)Oc1ccccc1CC(=O)[O-] ZINC000830136658 601580252 /nfs/dbraw/zinc/58/02/52/601580252.db2.gz CYFAEEUITQHHKB-UHFFFAOYSA-N -1 0 351.402 -0.038 20 0 FBADRM CCS(=O)(=O)NCCNS(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000830136698 601214768 /nfs/dbraw/zinc/21/47/68/601214768.db2.gz FXLOFROPJWHANV-UHFFFAOYSA-N -1 0 372.446 -0.328 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000830136699 601577683 /nfs/dbraw/zinc/57/76/83/601577683.db2.gz GAQWPMKTKHTUDJ-UHFFFAOYSA-N -1 0 351.402 -0.038 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000830136757 601268662 /nfs/dbraw/zinc/26/86/62/601268662.db2.gz HUHUWKAQYZMNPF-UHFFFAOYSA-N -1 0 351.402 -0.038 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000830136766 601596481 /nfs/dbraw/zinc/59/64/81/601596481.db2.gz ICDVDWXELDABAQ-LLVKDONJSA-N -1 0 356.466 -0.121 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000830136772 601596714 /nfs/dbraw/zinc/59/67/14/601596714.db2.gz ICDVDWXELDABAQ-NSHDSACASA-N -1 0 356.466 -0.121 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N(C)[C@@H](COC(C)C)C(=O)[O-] ZINC000830136916 602231257 /nfs/dbraw/zinc/23/12/57/602231257.db2.gz OUVSZAWQMJLKPY-JTQLQIEISA-N -1 0 360.454 -0.935 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N(C)[C@H](COC(C)C)C(=O)[O-] ZINC000830136917 602231448 /nfs/dbraw/zinc/23/14/48/602231448.db2.gz OUVSZAWQMJLKPY-SNVBAGLBSA-N -1 0 360.454 -0.935 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000830137110 601158262 /nfs/dbraw/zinc/15/82/62/601158262.db2.gz VVQNHQUSVFDIJX-UHFFFAOYSA-N -1 0 357.388 -0.313 20 0 FBADRM CCS(=O)(=O)NCCNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000830137125 601570704 /nfs/dbraw/zinc/57/07/04/601570704.db2.gz WXRVPIZWVWFWTI-UHFFFAOYSA-N -1 0 372.371 -0.119 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830137145 602402579 /nfs/dbraw/zinc/40/25/79/602402579.db2.gz YNXBJHQKMWWTFM-UHFFFAOYSA-N -1 0 361.351 -0.482 20 0 FBADRM CCS(=O)(=O)NCc1ccc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])cc1 ZINC000830137150 600686577 /nfs/dbraw/zinc/68/65/77/600686577.db2.gz ZDIDCJUXZYXQHS-JTQLQIEISA-N -1 0 372.399 -0.128 20 0 FBADRM CCS(=O)(=O)NCc1ccc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])cc1 ZINC000830137151 600686826 /nfs/dbraw/zinc/68/68/26/600686826.db2.gz ZDIDCJUXZYXQHS-SNVBAGLBSA-N -1 0 372.399 -0.128 20 0 FBADRM CCS(=O)(=O)NCc1ccc(C(=O)OCC(=O)NCC(=O)[O-])cc1 ZINC000830137152 600686724 /nfs/dbraw/zinc/68/67/24/600686724.db2.gz ZGGFSAZJNPEYHJ-UHFFFAOYSA-N -1 0 358.372 -0.517 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)Oc1ccc(C(=O)[O-])cc1C=O ZINC000830137161 601575699 /nfs/dbraw/zinc/57/56/99/601575699.db2.gz ZNIWVRCJRWNRBX-UHFFFAOYSA-N -1 0 365.385 -0.155 20 0 FBADRM CCS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])c(N)c1 ZINC000830140135 602262814 /nfs/dbraw/zinc/26/28/14/602262814.db2.gz GRWODHTXEWSAPT-MRVPVSSYSA-N -1 0 358.372 -0.192 20 0 FBADRM CCS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])c(N)c1 ZINC000830140136 602262796 /nfs/dbraw/zinc/26/27/96/602262796.db2.gz GRWODHTXEWSAPT-QMMMGPOBSA-N -1 0 358.372 -0.192 20 0 FBADRM CCS(=O)(=O)c1ccc(C(=O)OCC(=O)NCCC(=O)[O-])c(N)c1 ZINC000830140562 602262784 /nfs/dbraw/zinc/26/27/84/602262784.db2.gz NVDWPIVXHNYYQF-UHFFFAOYSA-N -1 0 358.372 -0.190 20 0 FBADRM CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000830145688 600895311 /nfs/dbraw/zinc/89/53/11/600895311.db2.gz QTTWNRRMLKXNLA-RUZDIDTESA-N -1 0 370.383 -0.005 20 0 FBADRM CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000830145691 600895488 /nfs/dbraw/zinc/89/54/88/600895488.db2.gz QTTWNRRMLKXNLA-VWLOTQADSA-N -1 0 370.383 -0.005 20 0 FBADRM CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000830146267 600895508 /nfs/dbraw/zinc/89/55/08/600895508.db2.gz WDQZPGIZCCVIGR-RUZDIDTESA-N -1 0 370.383 -0.005 20 0 FBADRM CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000830146270 600895556 /nfs/dbraw/zinc/89/55/56/600895556.db2.gz WDQZPGIZCCVIGR-VWLOTQADSA-N -1 0 370.383 -0.005 20 0 FBADRM CN1CC[C@H](C(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)S1(=O)=O ZINC000830164672 661138947 /nfs/dbraw/zinc/13/89/47/661138947.db2.gz NEHWEVQOSRSLIH-LLVKDONJSA-N -1 0 373.412 -0.414 20 0 FBADRM CN1CC[C@@H](C(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)S1(=O)=O ZINC000830164673 661138848 /nfs/dbraw/zinc/13/88/48/661138848.db2.gz NEHWEVQOSRSLIH-NSHDSACASA-N -1 0 373.412 -0.414 20 0 FBADRM Cc1ccc(-n2nccc2NC(=O)CN2CCN(C(=O)[O-])CC2=O)nn1 ZINC000830170599 605804634 /nfs/dbraw/zinc/80/46/34/605804634.db2.gz JXVUDCRDVJRVIX-UHFFFAOYSA-N -1 0 359.346 -0.269 20 0 FBADRM CCc1[nH]c(C(=O)N2CCN(CCS(N)(=O)=O)CC2)c(C)c1C(=O)[O-] ZINC000830183809 600832686 /nfs/dbraw/zinc/83/26/86/600832686.db2.gz NQUMRVDZIDAKMK-UHFFFAOYSA-N -1 0 372.447 -0.370 20 0 FBADRM Cc1ccc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)cn1 ZINC000830186793 603552224 /nfs/dbraw/zinc/55/22/24/603552224.db2.gz KMCCKBJONCBZAJ-UHFFFAOYSA-N -1 0 368.415 -0.160 20 0 FBADRM Cc1ccc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)n1C ZINC000830188776 603552252 /nfs/dbraw/zinc/55/22/52/603552252.db2.gz ZYEBHPLVIXDRSF-UHFFFAOYSA-N -1 0 370.431 -0.217 20 0 FBADRM Cc1ccc(C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])cc1S(N)(=O)=O ZINC000830198345 604405520 /nfs/dbraw/zinc/40/55/20/604405520.db2.gz KMUADFGDYSQLKE-GFCCVEGCSA-N -1 0 370.431 -0.334 20 0 FBADRM Cc1ccc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])cc1S(N)(=O)=O ZINC000830198348 604405621 /nfs/dbraw/zinc/40/56/21/604405621.db2.gz KMUADFGDYSQLKE-LBPRGKRZSA-N -1 0 370.431 -0.334 20 0 FBADRM Cc1ccc(C(=O)NCCN2CCN(C(=O)[O-])CC2)cc1S(N)(=O)=O ZINC000830217001 603673152 /nfs/dbraw/zinc/67/31/52/603673152.db2.gz OGOOQXWEPYKXOP-UHFFFAOYSA-N -1 0 370.431 -0.332 20 0 FBADRM CCc1cc(NC(=O)C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)n(C)n1 ZINC000830223969 601174020 /nfs/dbraw/zinc/17/40/20/601174020.db2.gz CFPCBTWHHODTTE-LLVKDONJSA-N -1 0 351.407 -0.072 20 0 FBADRM CCc1cc(NC(=O)C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)n(C)n1 ZINC000830223970 601173837 /nfs/dbraw/zinc/17/38/37/601173837.db2.gz CFPCBTWHHODTTE-NSHDSACASA-N -1 0 351.407 -0.072 20 0 FBADRM CCc1ccc(NC(=O)Cn2cc(C(=O)[O-])nn2)cc1S(N)(=O)=O ZINC000830254069 661139831 /nfs/dbraw/zinc/13/98/31/661139831.db2.gz SUYIMUSRMOPARI-UHFFFAOYSA-N -1 0 353.360 -0.175 20 0 FBADRM CCc1nc([C@H]2CN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CCO2)n[nH]1 ZINC000830304280 600788300 /nfs/dbraw/zinc/78/83/00/600788300.db2.gz HZVGPQTWRLYKRZ-LLVKDONJSA-N -1 0 373.435 -0.218 20 0 FBADRM CCc1nc([C@@H]2CN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CCO2)n[nH]1 ZINC000830304281 600788373 /nfs/dbraw/zinc/78/83/73/600788373.db2.gz HZVGPQTWRLYKRZ-NSHDSACASA-N -1 0 373.435 -0.218 20 0 FBADRM CCc1nc([C@@H]2CN(S(=O)(=O)c3cnn(CC(=O)[O-])c3)CCO2)n[nH]1 ZINC000830304457 600788413 /nfs/dbraw/zinc/78/84/13/600788413.db2.gz LPTXVFWMMBGFDD-JTQLQIEISA-N -1 0 370.391 -0.590 20 0 FBADRM CCc1nc([C@H]2CN(S(=O)(=O)c3cnn(CC(=O)[O-])c3)CCO2)n[nH]1 ZINC000830304458 600788725 /nfs/dbraw/zinc/78/87/25/600788725.db2.gz LPTXVFWMMBGFDD-SNVBAGLBSA-N -1 0 370.391 -0.590 20 0 FBADRM CCc1nc(CN2CCC[C@H](NC(=O)Cn3cc(C(=O)[O-])nn3)C2)no1 ZINC000830314049 601285449 /nfs/dbraw/zinc/28/54/49/601285449.db2.gz HTXCJEREWRJXNB-JTQLQIEISA-N -1 0 363.378 -0.298 20 0 FBADRM CCc1nc(CN2CCC[C@@H](NC(=O)Cn3cc(C(=O)[O-])nn3)C2)no1 ZINC000830314078 601285529 /nfs/dbraw/zinc/28/55/29/601285529.db2.gz HTXCJEREWRJXNB-SNVBAGLBSA-N -1 0 363.378 -0.298 20 0 FBADRM CCc1nc(CN2CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC2)no1 ZINC000830317975 601262706 /nfs/dbraw/zinc/26/27/06/601262706.db2.gz KKACPDOEVABQOL-UHFFFAOYSA-N -1 0 361.424 -0.599 20 0 FBADRM CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)CC2 ZINC000830322554 600749670 /nfs/dbraw/zinc/74/96/70/600749670.db2.gz FRGPWQVZFFUWRU-SECBINFHSA-N -1 0 354.392 -0.585 20 0 FBADRM CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)CC2 ZINC000830322555 600749819 /nfs/dbraw/zinc/74/98/19/600749819.db2.gz FRGPWQVZFFUWRU-VIFPVBQESA-N -1 0 354.392 -0.585 20 0 FBADRM CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000830328776 601593594 /nfs/dbraw/zinc/59/35/94/601593594.db2.gz UKUPUDPVHKYGIA-JTQLQIEISA-N -1 0 354.392 -0.065 20 0 FBADRM CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000830328777 601593434 /nfs/dbraw/zinc/59/34/34/601593434.db2.gz UKUPUDPVHKYGIA-SNVBAGLBSA-N -1 0 354.392 -0.065 20 0 FBADRM CCc1noc([C@H](C)N2CCN(C(=O)Cn3cc(C(=O)[O-])nn3)CC2)n1 ZINC000830339029 601285538 /nfs/dbraw/zinc/28/55/38/601285538.db2.gz INOGVHOFUVKVMZ-JTQLQIEISA-N -1 0 363.378 -0.173 20 0 FBADRM CCc1noc([C@@H](C)N2CCN(C(=O)Cn3cc(C(=O)[O-])nn3)CC2)n1 ZINC000830339030 601285392 /nfs/dbraw/zinc/28/53/92/601285392.db2.gz INOGVHOFUVKVMZ-SNVBAGLBSA-N -1 0 363.378 -0.173 20 0 FBADRM CCc1nsc(N2CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC2)n1 ZINC000830350602 601264553 /nfs/dbraw/zinc/26/45/53/601264553.db2.gz JKUAAIAPKNRGPT-UHFFFAOYSA-N -1 0 363.465 -0.126 20 0 FBADRM CCc1nsc(N2CCN(C(=O)Cn3cc(C(=O)[O-])nn3)CC2)n1 ZINC000830351078 601290921 /nfs/dbraw/zinc/29/09/21/601290921.db2.gz QVPVDPSFAYAASK-UHFFFAOYSA-N -1 0 351.392 -0.261 20 0 FBADRM Cc1ccc(NC(=O)C(=O)NCC(C)(C)NC(=O)[O-])cc1S(N)(=O)=O ZINC000830352362 603616983 /nfs/dbraw/zinc/61/69/83/603616983.db2.gz DKNVCEUPRIENEY-UHFFFAOYSA-N -1 0 372.403 -0.257 20 0 FBADRM Cc1ccc(NC(=O)C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c(C)n1 ZINC000830353321 603580237 /nfs/dbraw/zinc/58/02/37/603580237.db2.gz OTOFQRFPSNDMLP-UHFFFAOYSA-N -1 0 363.374 -0.425 20 0 FBADRM Cc1ccc(NC(=O)CN(C)C(=O)Cn2nnnc2CNC(=O)[O-])cc1 ZINC000830370650 604029971 /nfs/dbraw/zinc/02/99/71/604029971.db2.gz WJCHFJNKANQHAD-UHFFFAOYSA-N -1 0 361.362 -0.154 20 0 FBADRM Cc1ccc(NC(=O)COC(=O)C2(NC(=O)[O-])CC2)cc1S(N)(=O)=O ZINC000830377603 604752011 /nfs/dbraw/zinc/75/20/11/604752011.db2.gz UIEYOHNERGQICJ-UHFFFAOYSA-N -1 0 371.371 -0.076 20 0 FBADRM CCn1c(=O)c2ccccc2n(CC(=O)N[C@@](C)(COC)C(=O)[O-])c1=O ZINC000830408116 601698826 /nfs/dbraw/zinc/69/88/26/601698826.db2.gz KSKDFTSRRIJTLR-KRWDZBQOSA-N -1 0 363.370 -0.211 20 0 FBADRM CCn1c(=O)c2ccccc2n(CC(=O)N[C@](C)(COC)C(=O)[O-])c1=O ZINC000830408117 601698775 /nfs/dbraw/zinc/69/87/75/601698775.db2.gz KSKDFTSRRIJTLR-QGZVFWFLSA-N -1 0 363.370 -0.211 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])cc1C(N)=O ZINC000830411070 604332807 /nfs/dbraw/zinc/33/28/07/604332807.db2.gz UCCRVPWRPJPLPJ-LLVKDONJSA-N -1 0 370.431 -0.334 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])cc1C(N)=O ZINC000830411073 604332665 /nfs/dbraw/zinc/33/26/65/604332665.db2.gz UCCRVPWRPJPLPJ-NSHDSACASA-N -1 0 370.431 -0.334 20 0 FBADRM CCn1c(N)c(C(=O)CN(CCC(=O)[O-])C[C@@H]2CCCO2)c(=O)[nH]c1=O ZINC000830412323 604764833 /nfs/dbraw/zinc/76/48/33/604764833.db2.gz OQUWBJSMFQZARR-JTQLQIEISA-N -1 0 368.390 -0.311 20 0 FBADRM CCn1c(N)c(C(=O)CN(CCC(=O)[O-])C[C@H]2CCCO2)c(=O)[nH]c1=O ZINC000830412324 604764981 /nfs/dbraw/zinc/76/49/81/604764981.db2.gz OQUWBJSMFQZARR-SNVBAGLBSA-N -1 0 368.390 -0.311 20 0 FBADRM CCn1cc(CN2CCCN(C(=O)Cn3cc(C(=O)[O-])nn3)CC2)cn1 ZINC000830419973 601283125 /nfs/dbraw/zinc/28/31/25/601283125.db2.gz LTDMOJHCKZSMSH-UHFFFAOYSA-N -1 0 361.406 -0.073 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[C@H](NC(=O)[O-])C1 ZINC000830420473 605917215 /nfs/dbraw/zinc/91/72/15/605917215.db2.gz ABXMLTOAJZBXNI-JTQLQIEISA-N -1 0 356.404 -0.077 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[C@@H](NC(=O)[O-])C1 ZINC000830420474 604429811 /nfs/dbraw/zinc/42/98/11/604429811.db2.gz ABXMLTOAJZBXNI-SNVBAGLBSA-N -1 0 356.404 -0.077 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000830420897 604678150 /nfs/dbraw/zinc/67/81/50/604678150.db2.gz FQDUTTNDZMEFBP-CYBMUJFWSA-N -1 0 371.415 -0.232 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000830420899 604678027 /nfs/dbraw/zinc/67/80/27/604678027.db2.gz FQDUTTNDZMEFBP-ZDUSSCGKSA-N -1 0 371.415 -0.232 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)NC2CN(C(=O)[O-])C2)cc1 ZINC000830421159 604569544 /nfs/dbraw/zinc/56/95/44/604569544.db2.gz KJLCVDJGKMWOTP-UHFFFAOYSA-N -1 0 356.404 -0.065 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(C(=O)[O-])CC1 ZINC000830421342 604347542 /nfs/dbraw/zinc/34/75/42/604347542.db2.gz QIQZSVNWSXBMRP-UHFFFAOYSA-N -1 0 356.404 -0.123 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)[C@@H](C)NC(=O)[O-] ZINC000830421343 604380630 /nfs/dbraw/zinc/38/06/30/604380630.db2.gz QJEWNOIMTGLHJL-MRVPVSSYSA-N -1 0 359.360 -0.220 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)[C@H](C)NC(=O)[O-] ZINC000830421344 604380644 /nfs/dbraw/zinc/38/06/44/604380644.db2.gz QJEWNOIMTGLHJL-QMMMGPOBSA-N -1 0 359.360 -0.220 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)CCNC(=O)[O-] ZINC000830421397 604379038 /nfs/dbraw/zinc/37/90/38/604379038.db2.gz SZLLAPSLDTXFMR-UHFFFAOYSA-N -1 0 359.360 -0.218 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000830421414 604406850 /nfs/dbraw/zinc/40/68/50/604406850.db2.gz UMKIYHYVPOMAHX-LLVKDONJSA-N -1 0 370.431 -0.334 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000830421415 604407151 /nfs/dbraw/zinc/40/71/51/604407151.db2.gz UMKIYHYVPOMAHX-NSHDSACASA-N -1 0 370.431 -0.334 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)CN(C)C(=O)[O-] ZINC000830421419 604380703 /nfs/dbraw/zinc/38/07/03/604380703.db2.gz UNVVNWMGUPJBCI-UHFFFAOYSA-N -1 0 359.360 -0.266 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)NCCNC(=O)[O-])s1 ZINC000830421507 605523607 /nfs/dbraw/zinc/52/36/07/605523607.db2.gz XQSPLGSDIKOLRS-UHFFFAOYSA-N -1 0 350.422 -0.098 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)NC2CN(C(=O)[O-])C2)s1 ZINC000830421511 605410526 /nfs/dbraw/zinc/41/05/26/605410526.db2.gz XVEAKADHFHSHBS-UHFFFAOYSA-N -1 0 362.433 -0.004 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)COC2CN(C(=O)[O-])C2)cc1 ZINC000830421525 603744267 /nfs/dbraw/zinc/74/42/67/603744267.db2.gz YHEBHLKFLAISDO-UHFFFAOYSA-N -1 0 371.415 -0.232 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)C1(NC(=O)[O-])CC1 ZINC000830421544 604759519 /nfs/dbraw/zinc/75/95/19/604759519.db2.gz YSLAEFLNKQWYSS-UHFFFAOYSA-N -1 0 371.371 -0.076 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCCS(=O)(=O)CC2CC2)c1 ZINC000830422656 661140538 /nfs/dbraw/zinc/14/05/38/661140538.db2.gz LNWNMVYVHRFEDP-UHFFFAOYSA-N -1 0 362.429 -0.406 20 0 FBADRM CCn1ccnc1CN1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000830423972 601261142 /nfs/dbraw/zinc/26/11/42/601261142.db2.gz CDDONPAQESNYRJ-UHFFFAOYSA-N -1 0 359.452 -0.328 20 0 FBADRM CCn1ccnc1CN1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000830424082 601283148 /nfs/dbraw/zinc/28/31/48/601283148.db2.gz IBRSKXCHRCMWRZ-UHFFFAOYSA-N -1 0 361.406 -0.073 20 0 FBADRM CCn1cc(NC(=O)C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)ccc1=O ZINC000830424264 601170797 /nfs/dbraw/zinc/17/07/97/601170797.db2.gz NRDLEGHGHPUTHW-GFCCVEGCSA-N -1 0 364.402 -0.186 20 0 FBADRM CCn1cc(NC(=O)C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)ccc1=O ZINC000830424266 601171033 /nfs/dbraw/zinc/17/10/33/601171033.db2.gz NRDLEGHGHPUTHW-LBPRGKRZSA-N -1 0 364.402 -0.186 20 0 FBADRM CCn1nc(C)c(S(=O)(=O)N(CCN2CCOCC2)CC(=O)[O-])c1C ZINC000830440582 600743488 /nfs/dbraw/zinc/74/34/88/600743488.db2.gz BYQSPVGLHTVZNO-UHFFFAOYSA-N -1 0 374.463 -0.073 20 0 FBADRM Cc1ccc2c(c1)c(=O)n(C)c1nnc(Cn3nnnc3CNC(=O)[O-])n12 ZINC000830446595 604032997 /nfs/dbraw/zinc/03/29/97/604032997.db2.gz RJXCNHZQYJSRDH-UHFFFAOYSA-N -1 0 369.345 -0.308 20 0 FBADRM CCn1nc2c(cc1=O)CN(S(=O)(=O)c1cnn(CC(=O)[O-])c1)CC2 ZINC000830451389 601400119 /nfs/dbraw/zinc/40/01/19/601400119.db2.gz KSIUXTSZYFUVFQ-UHFFFAOYSA-N -1 0 367.387 -0.709 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CSC[C@H]1C(=O)N(C)C1CC1 ZINC000830464252 600994571 /nfs/dbraw/zinc/99/45/71/600994571.db2.gz GXSCQDQFGJPALT-JTQLQIEISA-N -1 0 351.450 -0.367 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CSC[C@@H]1C(=O)N(C)C1CC1 ZINC000830464253 600994263 /nfs/dbraw/zinc/99/42/63/600994263.db2.gz GXSCQDQFGJPALT-SNVBAGLBSA-N -1 0 351.450 -0.367 20 0 FBADRM Cc1cccc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)n1 ZINC000830464622 603553949 /nfs/dbraw/zinc/55/39/49/603553949.db2.gz AEFAQCUPUMYLNU-UHFFFAOYSA-N -1 0 368.415 -0.160 20 0 FBADRM CN(C(=O)[C@H]1CSCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1)C1CC1 ZINC000830465131 600731050 /nfs/dbraw/zinc/73/10/50/600731050.db2.gz OSDGGBFJIDGNKM-LLVKDONJSA-N -1 0 374.444 -0.348 20 0 FBADRM CN(C(=O)[C@@H]1CSCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1)C1CC1 ZINC000830465135 600731152 /nfs/dbraw/zinc/73/11/52/600731152.db2.gz OSDGGBFJIDGNKM-NSHDSACASA-N -1 0 374.444 -0.348 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000830469728 661140738 /nfs/dbraw/zinc/14/07/38/661140738.db2.gz XZOWVRDPICNMES-ZIAGYGMSSA-N -1 0 355.435 -0.170 20 0 FBADRM CN(C(=O)CN(CCO)CCN1CCOCC1)c1ccccc1C(=O)[O-] ZINC000830478013 601604343 /nfs/dbraw/zinc/60/43/43/601604343.db2.gz JEUXOMDAUAIDFB-UHFFFAOYSA-N -1 0 365.430 -0.026 20 0 FBADRM CN(C(=O)CN1CCN(S(C)(=O)=O)CC1)[C@H](C(=O)[O-])c1ccccc1 ZINC000830485676 602347324 /nfs/dbraw/zinc/34/73/24/602347324.db2.gz MKUVRSAAENIWBD-HNNXBMFYSA-N -1 0 369.443 -0.152 20 0 FBADRM CN(C(=O)CN1CCN(S(C)(=O)=O)CC1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830485677 602347310 /nfs/dbraw/zinc/34/73/10/602347310.db2.gz MKUVRSAAENIWBD-OAHLLOKOSA-N -1 0 369.443 -0.152 20 0 FBADRM CN(C(=O)CNS(=O)(=O)c1cn(C)cn1)[C@H](C(=O)[O-])c1ccccc1 ZINC000830485807 601558236 /nfs/dbraw/zinc/55/82/36/601558236.db2.gz OIEVDVJRRAHJSO-AWEZNQCLSA-N -1 0 366.399 -0.017 20 0 FBADRM CN(C(=O)CNS(=O)(=O)c1cn(C)cn1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830485808 601558434 /nfs/dbraw/zinc/55/84/34/601558434.db2.gz OIEVDVJRRAHJSO-CQSZACIVSA-N -1 0 366.399 -0.017 20 0 FBADRM CN(C(=O)CNS(=O)(=O)c1cn(C)cn1)c1nc(CC(=O)[O-])cs1 ZINC000830485880 601558476 /nfs/dbraw/zinc/55/84/76/601558476.db2.gz QLXUQIRAUIRSKV-UHFFFAOYSA-N -1 0 373.416 -0.555 20 0 FBADRM CN(C(=O)COC(=O)c1cn(CC(N)=O)nn1)c1ccccc1C(=O)[O-] ZINC000830490534 600712552 /nfs/dbraw/zinc/71/25/52/600712552.db2.gz SAWSHZQNGYZISH-UHFFFAOYSA-N -1 0 361.314 -0.719 20 0 FBADRM CN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C1(C(=O)[O-])CCCC1 ZINC000830495439 604726098 /nfs/dbraw/zinc/72/60/98/604726098.db2.gz CVFCCQFNFYQBFR-UHFFFAOYSA-N -1 0 363.374 -0.711 20 0 FBADRM CN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C1(C(=O)[O-])CCCC1 ZINC000830500410 604715877 /nfs/dbraw/zinc/71/58/77/604715877.db2.gz QHUVIMBBYOAHLF-UHFFFAOYSA-N -1 0 363.374 -0.711 20 0 FBADRM CN(C(=O)[O-])c1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000830507502 601497234 /nfs/dbraw/zinc/49/72/34/601497234.db2.gz LBIUHMSNVQHFNX-GFCCVEGCSA-N -1 0 361.358 -0.025 20 0 FBADRM CN(C(=O)[O-])c1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000830507504 601497301 /nfs/dbraw/zinc/49/73/01/601497301.db2.gz LBIUHMSNVQHFNX-LBPRGKRZSA-N -1 0 361.358 -0.025 20 0 FBADRM CN(C(=O)Nc1ccn(CC(=O)[O-])n1)C1CCN(S(C)(=O)=O)CC1 ZINC000830507720 602354083 /nfs/dbraw/zinc/35/40/83/602354083.db2.gz NFJNXXDWTGZLMG-UHFFFAOYSA-N -1 0 359.408 -0.145 20 0 FBADRM CN(C)C(=O)[C@H]1CCCN1CCCNS(=O)(=O)N(C)CCC(=O)[O-] ZINC000830542467 601258325 /nfs/dbraw/zinc/25/83/25/601258325.db2.gz CIDKQMVZMDYQHT-GFCCVEGCSA-N -1 0 364.468 -0.830 20 0 FBADRM CN(C)C(=O)[C@@H]1CCCN1CCCNS(=O)(=O)N(C)CCC(=O)[O-] ZINC000830542468 601258358 /nfs/dbraw/zinc/25/83/58/601258358.db2.gz CIDKQMVZMDYQHT-LBPRGKRZSA-N -1 0 364.468 -0.830 20 0 FBADRM CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1c[n-]c(C(=O)[O-])c1 ZINC000830542605 600734297 /nfs/dbraw/zinc/73/42/97/600734297.db2.gz KFNOPIPTJFZDRD-CYBMUJFWSA-N -1 0 372.447 -0.066 20 0 FBADRM CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1c[n-]c(C(=O)[O-])c1 ZINC000830542606 600734225 /nfs/dbraw/zinc/73/42/25/600734225.db2.gz KFNOPIPTJFZDRD-ZDUSSCGKSA-N -1 0 372.447 -0.066 20 0 FBADRM CN(C)C(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000830542770 600749672 /nfs/dbraw/zinc/74/96/72/600749672.db2.gz NGIKREKNGGFIFX-GHMZBOCLSA-N -1 0 358.420 -0.107 20 0 FBADRM CN(C)C(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000830542771 600749696 /nfs/dbraw/zinc/74/96/96/600749696.db2.gz NGIKREKNGGFIFX-MNOVXSKESA-N -1 0 358.420 -0.107 20 0 FBADRM CN(C)C(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000830542772 600749765 /nfs/dbraw/zinc/74/97/65/600749765.db2.gz NGIKREKNGGFIFX-QWRGUYRKSA-N -1 0 358.420 -0.107 20 0 FBADRM CN(C)C(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000830542773 600749763 /nfs/dbraw/zinc/74/97/63/600749763.db2.gz NGIKREKNGGFIFX-WDEREUQCSA-N -1 0 358.420 -0.107 20 0 FBADRM CN(C)C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000830542819 601261104 /nfs/dbraw/zinc/26/11/04/601261104.db2.gz PBHFUVBAWRWRKX-CYBMUJFWSA-N -1 0 357.432 -0.073 20 0 FBADRM CN(C)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000830542820 601261167 /nfs/dbraw/zinc/26/11/67/601261167.db2.gz PBHFUVBAWRWRKX-ZDUSSCGKSA-N -1 0 357.432 -0.073 20 0 FBADRM CN(C)C(=O)C1(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCCC1 ZINC000830543141 600748875 /nfs/dbraw/zinc/74/88/75/600748875.db2.gz VFXGXUXOHJQOGH-UHFFFAOYSA-N -1 0 358.420 -0.105 20 0 FBADRM CN(C)C(=O)CCN1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC000830547264 602176460 /nfs/dbraw/zinc/17/64/60/602176460.db2.gz LJYRDNDYQVIYJQ-UHFFFAOYSA-N -1 0 361.464 -0.333 20 0 FBADRM CN(C)C(=O)CCN1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000830547382 602176488 /nfs/dbraw/zinc/17/64/88/602176488.db2.gz OBGNYDKCZBVDFB-UHFFFAOYSA-N -1 0 358.420 -0.503 20 0 FBADRM CN(C)C(=O)CCN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000830547485 602177346 /nfs/dbraw/zinc/17/73/46/602177346.db2.gz ULZJPTJOLLHPKG-UHFFFAOYSA-N -1 0 359.404 -0.238 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC000830551555 601064263 /nfs/dbraw/zinc/06/42/63/601064263.db2.gz BJFQPTHDPSRUSQ-UHFFFAOYSA-N -1 0 352.395 -0.358 20 0 FBADRM CN(C)C(=O)COC1CN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000830551565 601567304 /nfs/dbraw/zinc/56/73/04/601567304.db2.gz BZDFXKGKHBJXNS-CYBMUJFWSA-N -1 0 352.387 -0.087 20 0 FBADRM CN(C)C(=O)COC1CN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000830551566 601567343 /nfs/dbraw/zinc/56/73/43/601567343.db2.gz BZDFXKGKHBJXNS-ZDUSSCGKSA-N -1 0 352.387 -0.087 20 0 FBADRM CN(C)C(=O)CN(C)c1ncnc(N(C)CC(=O)N(C)C)c1C(=O)[O-] ZINC000830551582 605013661 /nfs/dbraw/zinc/01/36/61/605013661.db2.gz CTOAOAXKXKPYQZ-UHFFFAOYSA-N -1 0 352.395 -0.776 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)CN(C)C2(C(=O)[O-])CCCC2)CC1 ZINC000830551630 604452832 /nfs/dbraw/zinc/45/28/32/604452832.db2.gz GGTHPADQTDIIHX-UHFFFAOYSA-N -1 0 354.451 -0.452 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)CN(CC(=O)[O-])C2CCCC2)CC1 ZINC000830551635 602330371 /nfs/dbraw/zinc/33/03/71/602330371.db2.gz GTUGYHSFBWZEIO-UHFFFAOYSA-N -1 0 354.451 -0.452 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC000830551641 601774690 /nfs/dbraw/zinc/77/46/90/601774690.db2.gz GXFGTMAVSCBFPD-CYBMUJFWSA-N -1 0 356.423 -0.576 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC000830551673 601774580 /nfs/dbraw/zinc/77/45/80/601774580.db2.gz GXFGTMAVSCBFPD-ZDUSSCGKSA-N -1 0 356.423 -0.576 20 0 FBADRM CN(C)C(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])CC1 ZINC000830551699 601916660 /nfs/dbraw/zinc/91/66/60/601916660.db2.gz HWJVAGFGTMPYOM-UHFFFAOYSA-N -1 0 373.406 -0.082 20 0 FBADRM CN(C)C(=O)CN1CCN(S(=O)(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC000830551724 601917121 /nfs/dbraw/zinc/91/71/21/601917121.db2.gz IWEIGXZCPRIRON-UHFFFAOYSA-N -1 0 369.443 -0.080 20 0 FBADRM CN(C)C(=O)CNC(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000830551806 602056076 /nfs/dbraw/zinc/05/60/76/602056076.db2.gz LGAOINSPAIMKCU-UHFFFAOYSA-N -1 0 371.415 -0.427 20 0 FBADRM CN(C)C(=O)CNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000830551812 604817859 /nfs/dbraw/zinc/81/78/59/604817859.db2.gz LWISGOJLSAUYJS-UHFFFAOYSA-N -1 0 357.750 -0.054 20 0 FBADRM CN(C)C(=O)CN1CCC(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000830551929 600781754 /nfs/dbraw/zinc/78/17/54/600781754.db2.gz QASZDEMBRAMKIN-UHFFFAOYSA-N -1 0 372.447 -0.446 20 0 FBADRM CN(C)C(=O)CN1CCC(NS(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC000830552062 601514434 /nfs/dbraw/zinc/51/44/34/601514434.db2.gz VOACVQQVNCIJHD-UHFFFAOYSA-N -1 0 361.464 -0.287 20 0 FBADRM CN(C)C(=O)CNC(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830552096 601147732 /nfs/dbraw/zinc/14/77/32/601147732.db2.gz XAVPRRRZDKBJTD-SECBINFHSA-N -1 0 354.388 -0.061 20 0 FBADRM CN(C)C(=O)CNC(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830552097 601147676 /nfs/dbraw/zinc/14/76/76/601147676.db2.gz XAVPRRRZDKBJTD-VIFPVBQESA-N -1 0 354.388 -0.061 20 0 FBADRM CN(C)C(=O)CN1CCC(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000830552134 600744245 /nfs/dbraw/zinc/74/42/45/600744245.db2.gz YHXTZZWIICVPBF-UHFFFAOYSA-N -1 0 358.420 -0.456 20 0 FBADRM CN(C)C(=O)CN1CCN(S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC000830552154 601914851 /nfs/dbraw/zinc/91/48/51/601914851.db2.gz YZNGGQJMUAXCTO-UHFFFAOYSA-N -1 0 362.433 -0.764 20 0 FBADRM CN(C)C(=O)COc1cccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000830556343 601276671 /nfs/dbraw/zinc/27/66/71/601276671.db2.gz BDOQFCVOLUUWHR-UHFFFAOYSA-N -1 0 361.358 -0.240 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000830556347 601629680 /nfs/dbraw/zinc/62/96/80/601629680.db2.gz BJUGLLCTANYKQA-JTQLQIEISA-N -1 0 351.363 -0.767 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000830556348 601629800 /nfs/dbraw/zinc/62/98/00/601629800.db2.gz BJUGLLCTANYKQA-SNVBAGLBSA-N -1 0 351.363 -0.767 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC(CC(=O)[O-])CC2)cn1 ZINC000830556367 601760888 /nfs/dbraw/zinc/76/08/88/601760888.db2.gz CGJILHHEXDWDPL-UHFFFAOYSA-N -1 0 365.390 -0.377 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])n1 ZINC000830556385 604661131 /nfs/dbraw/zinc/66/11/31/604661131.db2.gz DAKPFJGBCAQXFA-JTQLQIEISA-N -1 0 351.363 -0.625 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])n1 ZINC000830556386 604661006 /nfs/dbraw/zinc/66/10/06/604661006.db2.gz DAKPFJGBCAQXFA-SNVBAGLBSA-N -1 0 351.363 -0.625 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)N(CCC(=O)[O-])Cc2ccncc2)nn1 ZINC000830556658 601516452 /nfs/dbraw/zinc/51/64/52/601516452.db2.gz ICBXQALEEQAOLR-UHFFFAOYSA-N -1 0 360.374 -0.122 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CCCC2)cn1 ZINC000830556677 601761592 /nfs/dbraw/zinc/76/15/92/601761592.db2.gz IUMBRFLVYZILCZ-UHFFFAOYSA-N -1 0 365.390 -0.329 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCCC2)n1 ZINC000830556913 601629688 /nfs/dbraw/zinc/62/96/88/601629688.db2.gz KDPQCCKGGGFBBV-UHFFFAOYSA-N -1 0 365.390 -0.329 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000830556915 602050106 /nfs/dbraw/zinc/05/01/06/602050106.db2.gz KEPOKQDMBWRACJ-HNNXBMFYSA-N -1 0 351.363 -0.767 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000830556916 602050000 /nfs/dbraw/zinc/05/00/00/602050000.db2.gz KEPOKQDMBWRACJ-OAHLLOKOSA-N -1 0 351.363 -0.767 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])cn1 ZINC000830557210 604653115 /nfs/dbraw/zinc/65/31/15/604653115.db2.gz PZPSSJOTKRIIJJ-LLVKDONJSA-N -1 0 351.363 -0.625 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])cn1 ZINC000830557211 604653094 /nfs/dbraw/zinc/65/30/94/604653094.db2.gz PZPSSJOTKRIIJJ-NSHDSACASA-N -1 0 351.363 -0.625 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)cn1 ZINC000830557224 602047073 /nfs/dbraw/zinc/04/70/73/602047073.db2.gz QVPKGXTUVLVFCX-HNNXBMFYSA-N -1 0 351.363 -0.767 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cn1 ZINC000830557225 602047030 /nfs/dbraw/zinc/04/70/30/602047030.db2.gz QVPKGXTUVLVFCX-OAHLLOKOSA-N -1 0 351.363 -0.767 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC(CC(=O)[O-])CC2)n1 ZINC000830557591 601629035 /nfs/dbraw/zinc/62/90/35/601629035.db2.gz XPKZFKHMEWHPEX-UHFFFAOYSA-N -1 0 365.390 -0.377 20 0 FBADRM CN(C)C(=O)COc1cccc(CNS(=O)(=O)N(C)CCC(=O)[O-])c1 ZINC000830557592 601255890 /nfs/dbraw/zinc/25/58/90/601255890.db2.gz XRUFIYMXEQCXLD-UHFFFAOYSA-N -1 0 373.431 -0.106 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)cn1 ZINC000830557629 601761302 /nfs/dbraw/zinc/76/13/02/601761302.db2.gz ZNUAACAUSGJASA-JTQLQIEISA-N -1 0 351.363 -0.767 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1 ZINC000830557630 601761454 /nfs/dbraw/zinc/76/14/54/601761454.db2.gz ZNUAACAUSGJASA-SNVBAGLBSA-N -1 0 351.363 -0.767 20 0 FBADRM CN(C)C(=O)N1CCC(C(=O)OCCc2cn(CC(=O)[O-])nn2)CC1 ZINC000830563092 604698937 /nfs/dbraw/zinc/69/89/37/604698937.db2.gz DSRLESREUZBRAB-UHFFFAOYSA-N -1 0 353.379 -0.158 20 0 FBADRM Cc1cccnc1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000830595065 603991645 /nfs/dbraw/zinc/99/16/45/603991645.db2.gz IFYYQIBZUONMNR-UHFFFAOYSA-N -1 0 368.415 -0.160 20 0 FBADRM Cc1ccn(C)c(=O)c1NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000830602055 604098960 /nfs/dbraw/zinc/09/89/60/604098960.db2.gz RIQHSXOTRUVCTE-UHFFFAOYSA-N -1 0 351.363 -0.363 20 0 FBADRM CN(C)CCN(C(=O)c1ccc(C(=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000830604186 601448225 /nfs/dbraw/zinc/44/82/25/601448225.db2.gz IKOIBMWQXWRPPV-GFCCVEGCSA-N -1 0 355.416 -0.029 20 0 FBADRM CN(C)CCN(C(=O)c1ccc(C(=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC000830604187 601447950 /nfs/dbraw/zinc/44/79/50/601447950.db2.gz IKOIBMWQXWRPPV-LBPRGKRZSA-N -1 0 355.416 -0.029 20 0 FBADRM CN(C)CCN(C(=O)CCSCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000830604717 601448176 /nfs/dbraw/zinc/44/81/76/601448176.db2.gz UERJUPVLWNKDQO-LLVKDONJSA-N -1 0 352.478 -0.228 20 0 FBADRM CN(C)CCN(C(=O)CCSCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000830604723 601447971 /nfs/dbraw/zinc/44/79/71/601447971.db2.gz UERJUPVLWNKDQO-NSHDSACASA-N -1 0 352.478 -0.228 20 0 FBADRM Cc1ccnc(N2CCN(C(=O)CN3CCN(C(=O)[O-])CC3=O)CC2)c1 ZINC000830607088 604954106 /nfs/dbraw/zinc/95/41/06/604954106.db2.gz LEQNTJALRLLXAL-UHFFFAOYSA-N -1 0 361.402 -0.139 20 0 FBADRM Cc1ccncc1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000830611170 603938303 /nfs/dbraw/zinc/93/83/03/603938303.db2.gz GKHFXBNAFMITDM-UHFFFAOYSA-N -1 0 368.415 -0.160 20 0 FBADRM Cc1cnc(C(=O)NCC(CNC(=O)c2cnc(C)cn2)NC(=O)[O-])cn1 ZINC000830620377 603637949 /nfs/dbraw/zinc/63/79/49/603637949.db2.gz MJIOKHNRSFZIOE-UHFFFAOYSA-N -1 0 373.373 -0.321 20 0 FBADRM Cc1cnc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)cn1 ZINC000830620687 603552058 /nfs/dbraw/zinc/55/20/58/603552058.db2.gz PRVHUQFDUBZBNH-UHFFFAOYSA-N -1 0 369.403 -0.765 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1 ZINC000830623638 602377379 /nfs/dbraw/zinc/37/73/79/602377379.db2.gz HHLFNMSFINSFSN-UHFFFAOYSA-N -1 0 359.408 -0.321 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)OCCc2cn(CC(=O)[O-])nn2)c1 ZINC000830623760 604698996 /nfs/dbraw/zinc/69/89/96/604698996.db2.gz IXYZIJKUINDZCF-UHFFFAOYSA-N -1 0 371.375 -0.659 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1 ZINC000830623888 601424546 /nfs/dbraw/zinc/42/45/46/601424546.db2.gz MQQPNCPHKMYUSF-UHFFFAOYSA-N -1 0 362.452 -0.235 20 0 FBADRM CN(C)S(=O)(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000830624009 601959843 /nfs/dbraw/zinc/95/98/43/601959843.db2.gz OKMTWUFCUVOBQI-UHFFFAOYSA-N -1 0 350.418 -0.418 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)o1 ZINC000830624109 604705520 /nfs/dbraw/zinc/70/55/20/604705520.db2.gz VPCKXJVKKKLNPX-UHFFFAOYSA-N -1 0 372.359 -0.395 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)cc1 ZINC000830626687 601276579 /nfs/dbraw/zinc/27/65/79/601276579.db2.gz OSGDAXDHNHWOGH-UHFFFAOYSA-N -1 0 367.387 -0.457 20 0 FBADRM CN(C)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NCCC(=O)[O-] ZINC000830626715 601397692 /nfs/dbraw/zinc/39/76/92/601397692.db2.gz OSWZRQDMJNFUFR-UHFFFAOYSA-N -1 0 355.416 -0.110 20 0 FBADRM Cc1cnc(CN2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)cn1 ZINC000830630088 604100294 /nfs/dbraw/zinc/10/02/94/604100294.db2.gz LPKIJULIJHHPGN-UHFFFAOYSA-N -1 0 355.420 -0.405 20 0 FBADRM CN(C)c1cc2c(nn1)CCN(S(=O)(=O)c1cnn(CC(=O)[O-])c1)C2 ZINC000830631449 600757282 /nfs/dbraw/zinc/75/72/82/600757282.db2.gz IZABKEUDJJBPGW-UHFFFAOYSA-N -1 0 366.403 -0.429 20 0 FBADRM Cc1cncc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)c1 ZINC000830634259 603937935 /nfs/dbraw/zinc/93/79/35/603937935.db2.gz OYLBGVCYGQIYDJ-UHFFFAOYSA-N -1 0 368.415 -0.160 20 0 FBADRM Cc1cnn(CCN2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)c1 ZINC000830645618 604100222 /nfs/dbraw/zinc/10/02/22/604100222.db2.gz JMCFKZUQQTZYBU-UHFFFAOYSA-N -1 0 357.436 -0.499 20 0 FBADRM Cc1cnn(CC(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)c1 ZINC000830645951 603552251 /nfs/dbraw/zinc/55/22/51/603552251.db2.gz OTWDUUHXNLHNOX-UHFFFAOYSA-N -1 0 371.419 -0.972 20 0 FBADRM CN(C1(C(=O)[O-])CCCC1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000830651193 604416833 /nfs/dbraw/zinc/41/68/33/604416833.db2.gz LLLZJXFPQUBCFR-UHFFFAOYSA-N -1 0 369.465 -0.862 20 0 FBADRM Cc1conc1NC(=O)C(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000830655370 605333474 /nfs/dbraw/zinc/33/34/74/605333474.db2.gz PGFWSHGITUYUOY-JTQLQIEISA-N -1 0 367.362 -0.456 20 0 FBADRM Cc1conc1NC(=O)C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000830655371 605332880 /nfs/dbraw/zinc/33/28/80/605332880.db2.gz PGFWSHGITUYUOY-SNVBAGLBSA-N -1 0 367.362 -0.456 20 0 FBADRM CN(C1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)CC1)S(C)(=O)=O ZINC000830655736 601062347 /nfs/dbraw/zinc/06/23/47/601062347.db2.gz IRYCFVVDGKXKOJ-UHFFFAOYSA-N -1 0 359.408 -0.145 20 0 FBADRM CN(C1CCN(S(C)(=O)=O)CC1)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000830660926 602321338 /nfs/dbraw/zinc/32/13/38/602321338.db2.gz JDLUDMXKKYODGF-UHFFFAOYSA-N -1 0 368.477 -0.073 20 0 FBADRM CN(CC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000830661000 601440721 /nfs/dbraw/zinc/44/07/21/601440721.db2.gz MKISJSKLTMWGRT-CHWSQXEVSA-N -1 0 362.448 -0.412 20 0 FBADRM CN(CC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000830661001 601440575 /nfs/dbraw/zinc/44/05/75/601440575.db2.gz MKISJSKLTMWGRT-OLZOCXBDSA-N -1 0 362.448 -0.412 20 0 FBADRM CN(CC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000830661002 601440592 /nfs/dbraw/zinc/44/05/92/601440592.db2.gz MKISJSKLTMWGRT-QWHCGFSZSA-N -1 0 362.448 -0.412 20 0 FBADRM CN(CC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000830661003 601440682 /nfs/dbraw/zinc/44/06/82/601440682.db2.gz MKISJSKLTMWGRT-STQMWFEESA-N -1 0 362.448 -0.412 20 0 FBADRM CN(CC(=O)N(C)c1ccccc1C(=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000830661015 601360171 /nfs/dbraw/zinc/36/01/71/601360171.db2.gz NICSZMMXKCVFCZ-AWEZNQCLSA-N -1 0 365.430 -0.028 20 0 FBADRM CN(CC(=O)N(C)c1ccccc1C(=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000830661016 601360211 /nfs/dbraw/zinc/36/02/11/601360211.db2.gz NICSZMMXKCVFCZ-CQSZACIVSA-N -1 0 365.430 -0.028 20 0 FBADRM CN(C1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1)S(C)(=O)=O ZINC000830661311 601510648 /nfs/dbraw/zinc/51/06/48/601510648.db2.gz YOSWACVGJJYKOK-UHFFFAOYSA-N -1 0 368.477 -0.073 20 0 FBADRM Cc1csc(NC(=O)C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)n1 ZINC000830666184 604053051 /nfs/dbraw/zinc/05/30/51/604053051.db2.gz BWASSVKLFOFSJP-UHFFFAOYSA-N -1 0 355.376 -0.672 20 0 FBADRM CN(CC(=O)NC1(C(=O)[O-])CCCCC1)C[C@H](O)CN1CCOCC1 ZINC000830669467 601327363 /nfs/dbraw/zinc/32/73/63/601327363.db2.gz CFLHVKXKNOSNAW-AWEZNQCLSA-N -1 0 357.451 -0.485 20 0 FBADRM CN(CC(=O)NC1(C(=O)[O-])CCCCC1)C[C@@H](O)CN1CCOCC1 ZINC000830669468 601327608 /nfs/dbraw/zinc/32/76/08/601327608.db2.gz CFLHVKXKNOSNAW-CQSZACIVSA-N -1 0 357.451 -0.485 20 0 FBADRM CN(CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])CC(C)(CO)CO ZINC000830669685 604645835 /nfs/dbraw/zinc/64/58/35/604645835.db2.gz MJIXUOYSBSXCFL-HNNXBMFYSA-N -1 0 350.415 -0.053 20 0 FBADRM CN(CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])CC(C)(CO)CO ZINC000830669689 604646367 /nfs/dbraw/zinc/64/63/67/604646367.db2.gz MJIXUOYSBSXCFL-OAHLLOKOSA-N -1 0 350.415 -0.053 20 0 FBADRM CN(CC(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O)C(=O)[O-] ZINC000830670022 604338292 /nfs/dbraw/zinc/33/82/92/604338292.db2.gz WQHPEVNZLTUVCT-GFCCVEGCSA-N -1 0 350.375 -0.685 20 0 FBADRM CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O)C(=O)[O-] ZINC000830670023 604338617 /nfs/dbraw/zinc/33/86/17/604338617.db2.gz WQHPEVNZLTUVCT-LBPRGKRZSA-N -1 0 350.375 -0.685 20 0 FBADRM CN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)C1(C(=O)[O-])CCCC1 ZINC000830670198 604464783 /nfs/dbraw/zinc/46/47/83/604464783.db2.gz ZFEHQWNSVKMXNG-JTQLQIEISA-N -1 0 361.420 -0.672 20 0 FBADRM CN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C1(C(=O)[O-])CCCC1 ZINC000830670199 604464503 /nfs/dbraw/zinc/46/45/03/604464503.db2.gz ZFEHQWNSVKMXNG-SNVBAGLBSA-N -1 0 361.420 -0.672 20 0 FBADRM Cc1n[nH]c(=O)c(C(=O)Nc2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)c1C ZINC000830673171 603959279 /nfs/dbraw/zinc/95/92/79/603959279.db2.gz SSCAGPVZHDGWTI-UHFFFAOYSA-N -1 0 362.350 -0.031 20 0 FBADRM CN(CC(=O)NC1(CC(=O)[O-])CCOCC1)S(=O)(=O)c1cccnc1 ZINC000830674258 601328837 /nfs/dbraw/zinc/32/88/37/601328837.db2.gz GZLLUAWGIJFXDR-UHFFFAOYSA-N -1 0 371.415 -0.158 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000830674582 600889964 /nfs/dbraw/zinc/88/99/64/600889964.db2.gz NFWQSXYGJJSMTM-GRYCIOLGSA-N -1 0 360.432 -0.361 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000830674584 600889980 /nfs/dbraw/zinc/88/99/80/600889980.db2.gz NFWQSXYGJJSMTM-IJLUTSLNSA-N -1 0 360.432 -0.361 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000830674585 600890064 /nfs/dbraw/zinc/89/00/64/600890064.db2.gz NFWQSXYGJJSMTM-QJPTWQEYSA-N -1 0 360.432 -0.361 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000830674587 600890044 /nfs/dbraw/zinc/89/00/44/600890044.db2.gz NFWQSXYGJJSMTM-SDDRHHMPSA-N -1 0 360.432 -0.361 20 0 FBADRM CN(CC(=O)NCc1ccccc1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000830676408 661141976 /nfs/dbraw/zinc/14/19/76/661141976.db2.gz CSWHZCKGNHEQME-UHFFFAOYSA-N -1 0 366.399 -0.095 20 0 FBADRM CN(CC(=O)NCc1ccco1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000830676468 600693448 /nfs/dbraw/zinc/69/34/48/600693448.db2.gz KASXPYUDBLIVNY-UHFFFAOYSA-N -1 0 356.360 -0.502 20 0 FBADRM CN(CC(=O)NCc1cccs1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000830676674 600746787 /nfs/dbraw/zinc/74/67/87/600746787.db2.gz YQEOMCNJVPKHDH-UHFFFAOYSA-N -1 0 372.428 -0.034 20 0 FBADRM Cc1nc(SCC(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000830676886 603684377 /nfs/dbraw/zinc/68/43/77/603684377.db2.gz BQPQIDMNVUFPGF-UHFFFAOYSA-N -1 0 356.408 -0.514 20 0 FBADRM Cc1nnc([C@H]2CN(C(=O)NCCN3CCN(C(=O)[O-])CC3)CCO2)[nH]1 ZINC000830677499 603479908 /nfs/dbraw/zinc/47/99/08/603479908.db2.gz HBBPSBPAKFPKJI-GFCCVEGCSA-N -1 0 367.410 -0.508 20 0 FBADRM Cc1nnc([C@@H]2CN(C(=O)NCCN3CCN(C(=O)[O-])CC3)CCO2)[nH]1 ZINC000830677502 603480073 /nfs/dbraw/zinc/48/00/73/603480073.db2.gz HBBPSBPAKFPKJI-LBPRGKRZSA-N -1 0 367.410 -0.508 20 0 FBADRM Cc1nc(SCC(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)n[nH]1 ZINC000830677650 603709685 /nfs/dbraw/zinc/70/96/85/603709685.db2.gz INCSNYQNSCUSIM-JTQLQIEISA-N -1 0 370.435 -0.172 20 0 FBADRM Cc1nc(SCC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)n[nH]1 ZINC000830677652 603709374 /nfs/dbraw/zinc/70/93/74/603709374.db2.gz INCSNYQNSCUSIM-SNVBAGLBSA-N -1 0 370.435 -0.172 20 0 FBADRM Cc1nnc([C@H]2CN(C(=O)CN3CCC(NC(=O)[O-])CC3)CCO2)[nH]1 ZINC000830679422 605755692 /nfs/dbraw/zinc/75/56/92/605755692.db2.gz VZJOAALEFKCHFM-GFCCVEGCSA-N -1 0 352.395 -0.255 20 0 FBADRM Cc1nnc([C@@H]2CN(C(=O)CN3CCC(NC(=O)[O-])CC3)CCO2)[nH]1 ZINC000830679425 605755483 /nfs/dbraw/zinc/75/54/83/605755483.db2.gz VZJOAALEFKCHFM-LBPRGKRZSA-N -1 0 352.395 -0.255 20 0 FBADRM CN(CC(=O)Nc1cccc(C(=O)[O-])c1)C[C@H](O)CN1CCOCC1 ZINC000830681759 601327138 /nfs/dbraw/zinc/32/71/38/601327138.db2.gz GXQCGYDSEDJCQT-HNNXBMFYSA-N -1 0 351.403 -0.052 20 0 FBADRM CN(CC(=O)Nc1cccc(C(=O)[O-])c1)C[C@@H](O)CN1CCOCC1 ZINC000830681760 601327600 /nfs/dbraw/zinc/32/76/00/601327600.db2.gz GXQCGYDSEDJCQT-OAHLLOKOSA-N -1 0 351.403 -0.052 20 0 FBADRM CN(CC(=O)Nc1ccc(C(=O)[O-])cc1)C[C@H](O)CN1CCOCC1 ZINC000830682053 601327423 /nfs/dbraw/zinc/32/74/23/601327423.db2.gz NEBIFRSOKRQLDO-HNNXBMFYSA-N -1 0 351.403 -0.052 20 0 FBADRM CN(CC(=O)Nc1ccc(C(=O)[O-])cc1)C[C@@H](O)CN1CCOCC1 ZINC000830682054 601327324 /nfs/dbraw/zinc/32/73/24/601327324.db2.gz NEBIFRSOKRQLDO-OAHLLOKOSA-N -1 0 351.403 -0.052 20 0 FBADRM CN(CC(=O)Nc1nc(CC(=O)[O-])cs1)C[C@@H](O)CN1CCOCC1 ZINC000830683670 601327673 /nfs/dbraw/zinc/32/76/73/601327673.db2.gz BTRNAGALFMQDCZ-GFCCVEGCSA-N -1 0 372.447 -0.666 20 0 FBADRM CN(CC(=O)Nc1nc(CC(=O)[O-])cs1)C[C@H](O)CN1CCOCC1 ZINC000830683671 601327628 /nfs/dbraw/zinc/32/76/28/601327628.db2.gz BTRNAGALFMQDCZ-LBPRGKRZSA-N -1 0 372.447 -0.666 20 0 FBADRM CN(CC(=O)Nc1ccccc1C(=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000830683675 601327578 /nfs/dbraw/zinc/32/75/78/601327578.db2.gz CAQNVAHNLUAWKR-CYBMUJFWSA-N -1 0 351.403 -0.052 20 0 FBADRM CN(CC(=O)Nc1ccccc1C(=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000830683676 601327316 /nfs/dbraw/zinc/32/73/16/601327316.db2.gz CAQNVAHNLUAWKR-ZDUSSCGKSA-N -1 0 351.403 -0.052 20 0 FBADRM CN(CC(=O)[O-])C(=O)CCN1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000830692595 600841987 /nfs/dbraw/zinc/84/19/87/600841987.db2.gz NHSVFOXQXPMUBJ-UHFFFAOYSA-N -1 0 374.419 -0.945 20 0 FBADRM Cc1nc(C(=O)NC2CN(C(=O)[O-])C2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000830704055 604950550 /nfs/dbraw/zinc/95/05/50/604950550.db2.gz KIEUHYVIBGAXPL-UHFFFAOYSA-N -1 0 360.256 -0.195 20 0 FBADRM Cc1nc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)c[nH]1 ZINC000830705073 603937976 /nfs/dbraw/zinc/93/79/76/603937976.db2.gz VBGBPYJCUOYCTP-UHFFFAOYSA-N -1 0 357.392 -0.832 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000830706206 601294857 /nfs/dbraw/zinc/29/48/57/601294857.db2.gz FPDYOVGMEJVTHR-AWEZNQCLSA-N -1 0 352.387 -0.085 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000830706207 601294909 /nfs/dbraw/zinc/29/49/09/601294909.db2.gz FPDYOVGMEJVTHR-CQSZACIVSA-N -1 0 352.387 -0.085 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000830706646 601267205 /nfs/dbraw/zinc/26/72/05/601267205.db2.gz PFLLOTRVNIJDIG-LLVKDONJSA-N -1 0 358.420 -0.073 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000830706647 601267337 /nfs/dbraw/zinc/26/73/37/601267337.db2.gz PFLLOTRVNIJDIG-NSHDSACASA-N -1 0 358.420 -0.073 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000830706837 601294932 /nfs/dbraw/zinc/29/49/32/601294932.db2.gz VOMNHRVTVXJEGX-AWEZNQCLSA-N -1 0 352.387 -0.085 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000830706839 601295009 /nfs/dbraw/zinc/29/50/09/601295009.db2.gz VOMNHRVTVXJEGX-CQSZACIVSA-N -1 0 352.387 -0.085 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)c1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000830707025 601254659 /nfs/dbraw/zinc/25/46/59/601254659.db2.gz ZMUWLRNKSPEAGV-LLVKDONJSA-N -1 0 373.431 -0.839 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)c1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000830707026 601254467 /nfs/dbraw/zinc/25/44/67/601254467.db2.gz ZMUWLRNKSPEAGV-NSHDSACASA-N -1 0 373.431 -0.839 20 0 FBADRM Cc1nc(C)c(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)o1 ZINC000830709572 604060545 /nfs/dbraw/zinc/06/05/45/604060545.db2.gz MKZUAHSJJCZLKN-UHFFFAOYSA-N -1 0 372.403 -0.259 20 0 FBADRM CN(C[C@@H]1CN(S(=O)(=O)CCCC(=O)[O-])CCO1)c1cccnn1 ZINC000830722468 604494337 /nfs/dbraw/zinc/49/43/37/604494337.db2.gz CWKGPNVLGQMDJE-GFCCVEGCSA-N -1 0 358.420 -0.192 20 0 FBADRM CN(C[C@H]1CN(S(=O)(=O)CCCC(=O)[O-])CCO1)c1cccnn1 ZINC000830722469 604494649 /nfs/dbraw/zinc/49/46/49/604494649.db2.gz CWKGPNVLGQMDJE-LBPRGKRZSA-N -1 0 358.420 -0.192 20 0 FBADRM CN(C[C@@H]1CN(S(=O)(=O)N(C)CCC(=O)[O-])CCO1)c1cccnn1 ZINC000830723300 604494680 /nfs/dbraw/zinc/49/46/80/604494680.db2.gz UISFJPQJXRDJAL-GFCCVEGCSA-N -1 0 373.435 -0.735 20 0 FBADRM CN(C[C@H]1CN(S(=O)(=O)N(C)CCC(=O)[O-])CCO1)c1cccnn1 ZINC000830723301 604494480 /nfs/dbraw/zinc/49/44/80/604494480.db2.gz UISFJPQJXRDJAL-LBPRGKRZSA-N -1 0 373.435 -0.735 20 0 FBADRM CN(C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)CCO1)c1cccnn1 ZINC000830723449 604738252 /nfs/dbraw/zinc/73/82/52/604738252.db2.gz VOUWXHWWJOEPON-LLVKDONJSA-N -1 0 361.362 -0.870 20 0 FBADRM CN(C[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])nn2)CCO1)c1cccnn1 ZINC000830723451 604738061 /nfs/dbraw/zinc/73/80/61/604738061.db2.gz VOUWXHWWJOEPON-NSHDSACASA-N -1 0 361.362 -0.870 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000830727231 601261591 /nfs/dbraw/zinc/26/15/91/601261591.db2.gz NRFHDBKUDUDTFY-MRVPVSSYSA-N -1 0 361.342 -0.267 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000830727233 601261785 /nfs/dbraw/zinc/26/17/85/601261785.db2.gz NRFHDBKUDUDTFY-QMMMGPOBSA-N -1 0 361.342 -0.267 20 0 FBADRM Cc1nc(C)c(NC(=O)C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)s1 ZINC000830727741 603776703 /nfs/dbraw/zinc/77/67/03/603776703.db2.gz NDQYPUKRPUYYAE-UHFFFAOYSA-N -1 0 369.403 -0.363 20 0 FBADRM Cc1nc(C)c(S(=O)(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)s1 ZINC000830727895 603504084 /nfs/dbraw/zinc/50/40/84/603504084.db2.gz PYZZWKROCZJWDR-UHFFFAOYSA-N -1 0 362.433 -0.140 20 0 FBADRM Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])CCO2)n1 ZINC000830732215 603867208 /nfs/dbraw/zinc/86/72/08/603867208.db2.gz ANHXSRKBJVIRSP-AGIUHOORSA-N -1 0 353.379 -0.764 20 0 FBADRM Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])CCO2)n1 ZINC000830732221 603867056 /nfs/dbraw/zinc/86/70/56/603867056.db2.gz ANHXSRKBJVIRSP-AVGNSLFASA-N -1 0 353.379 -0.764 20 0 FBADRM Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])CCO2)n1 ZINC000830732229 603866851 /nfs/dbraw/zinc/86/68/51/603866851.db2.gz ANHXSRKBJVIRSP-FRRDWIJNSA-N -1 0 353.379 -0.764 20 0 FBADRM Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])CCO2)n1 ZINC000830732231 603867023 /nfs/dbraw/zinc/86/70/23/603867023.db2.gz ANHXSRKBJVIRSP-RWMBFGLXSA-N -1 0 353.379 -0.764 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000830734280 601262238 /nfs/dbraw/zinc/26/22/38/601262238.db2.gz AOIHNNIMNBBVAS-UHFFFAOYSA-N -1 0 359.452 -0.421 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@@H](C2N=NC(=S)N2C)C1 ZINC000830734297 601262114 /nfs/dbraw/zinc/26/21/14/601262114.db2.gz BEQCROASIUAOPJ-SECBINFHSA-N -1 0 363.465 -0.066 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@H](C2N=NC(=S)N2C)C1 ZINC000830734298 601262036 /nfs/dbraw/zinc/26/20/36/601262036.db2.gz BEQCROASIUAOPJ-VIFPVBQESA-N -1 0 363.465 -0.066 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000830734318 601262830 /nfs/dbraw/zinc/26/28/30/601262830.db2.gz CDDGVQUOMJYECW-UHFFFAOYSA-N -1 0 370.431 -0.441 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCCN(Cc2nccn2C)CC1 ZINC000830734434 601262994 /nfs/dbraw/zinc/26/29/94/601262994.db2.gz FPFXNHBOUABLJI-UHFFFAOYSA-N -1 0 359.452 -0.421 20 0 FBADRM Cc1nc(C)n(C[C@H]2CN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)CCO2)n1 ZINC000830734806 604970821 /nfs/dbraw/zinc/97/08/21/604970821.db2.gz NSWBSFZHHPCAOO-CHWSQXEVSA-N -1 0 353.379 -0.499 20 0 FBADRM Cc1nc(C)n(C[C@H]2CN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)CCO2)n1 ZINC000830734807 604970819 /nfs/dbraw/zinc/97/08/19/604970819.db2.gz NSWBSFZHHPCAOO-OLZOCXBDSA-N -1 0 353.379 -0.499 20 0 FBADRM Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)CCO2)n1 ZINC000830734808 604970404 /nfs/dbraw/zinc/97/04/04/604970404.db2.gz NSWBSFZHHPCAOO-QWHCGFSZSA-N -1 0 353.379 -0.499 20 0 FBADRM Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)CCO2)n1 ZINC000830734809 604970527 /nfs/dbraw/zinc/97/05/27/604970527.db2.gz NSWBSFZHHPCAOO-STQMWFEESA-N -1 0 353.379 -0.499 20 0 FBADRM Cc1nc(C)n(C[C@@H]2CN(C(=O)C[C@H]3CN(C(=O)[O-])CCO3)CCO2)n1 ZINC000830735246 604970650 /nfs/dbraw/zinc/97/06/50/604970650.db2.gz QMCDBEBCMKRDDQ-KBPBESRZSA-N -1 0 367.406 -0.109 20 0 FBADRM Cc1nc(C)n(C[C@@H]2CN(C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)CCO2)n1 ZINC000830735247 604970640 /nfs/dbraw/zinc/97/06/40/604970640.db2.gz QMCDBEBCMKRDDQ-KGLIPLIRSA-N -1 0 367.406 -0.109 20 0 FBADRM Cc1nc(C)n(C[C@H]2CN(C(=O)C[C@H]3CN(C(=O)[O-])CCO3)CCO2)n1 ZINC000830735248 604970688 /nfs/dbraw/zinc/97/06/88/604970688.db2.gz QMCDBEBCMKRDDQ-UONOGXRCSA-N -1 0 367.406 -0.109 20 0 FBADRM Cc1nc(C)n(C[C@H]2CN(C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)CCO2)n1 ZINC000830735249 604970623 /nfs/dbraw/zinc/97/06/23/604970623.db2.gz QMCDBEBCMKRDDQ-ZIAGYGMSSA-N -1 0 367.406 -0.109 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000830735334 601259442 /nfs/dbraw/zinc/25/94/42/601259442.db2.gz PKBMXWWDRQYSPR-GFCCVEGCSA-N -1 0 363.436 -0.649 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000830735335 601259671 /nfs/dbraw/zinc/25/96/71/601259671.db2.gz PKBMXWWDRQYSPR-LBPRGKRZSA-N -1 0 363.436 -0.649 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC(C2N=NC(=S)N2C)CC1 ZINC000830735460 601261978 /nfs/dbraw/zinc/26/19/78/601261978.db2.gz TXWAVONQPRJIPT-UHFFFAOYSA-N -1 0 363.465 -0.066 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000830735461 601254373 /nfs/dbraw/zinc/25/43/73/601254373.db2.gz TYFOQPVGJAZTMQ-UHFFFAOYSA-N -1 0 356.404 -0.509 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000830735648 601253431 /nfs/dbraw/zinc/25/34/31/601253431.db2.gz VFJJZNSTXNBMMW-UHFFFAOYSA-N -1 0 363.436 -0.792 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000830735725 600992589 /nfs/dbraw/zinc/99/25/89/600992589.db2.gz YFTBCRQEYPNZLS-GFCCVEGCSA-N -1 0 363.436 -0.792 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000830735726 600992731 /nfs/dbraw/zinc/99/27/31/600992731.db2.gz YFTBCRQEYPNZLS-LBPRGKRZSA-N -1 0 363.436 -0.792 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCN(C(=O)c2cccnc2)CC1 ZINC000830735739 601255991 /nfs/dbraw/zinc/25/59/91/601255991.db2.gz YPDMXJMBKUVWJN-UHFFFAOYSA-N -1 0 356.404 -0.509 20 0 FBADRM Cc1nc([C@@H]2CN(CN3C[C@H]4CN(C(=O)[O-])CCN4C3=O)CCO2)no1 ZINC000830737297 603600957 /nfs/dbraw/zinc/60/09/57/603600957.db2.gz GZBWBYWDVNHHBM-NEPJUHHUSA-N -1 0 366.378 -0.191 20 0 FBADRM Cc1nc([C@H]2CN(CN3C[C@@H]4CN(C(=O)[O-])CCN4C3=O)CCO2)no1 ZINC000830737300 603600997 /nfs/dbraw/zinc/60/09/97/603600997.db2.gz GZBWBYWDVNHHBM-NWDGAFQWSA-N -1 0 366.378 -0.191 20 0 FBADRM Cc1nc([C@@H]2CN(CN3C[C@@H]4CN(C(=O)[O-])CCN4C3=O)CCO2)no1 ZINC000830737302 603601003 /nfs/dbraw/zinc/60/10/03/603601003.db2.gz GZBWBYWDVNHHBM-RYUDHWBXSA-N -1 0 366.378 -0.191 20 0 FBADRM Cc1nc([C@H]2CN(CN3C[C@H]4CN(C(=O)[O-])CCN4C3=O)CCO2)no1 ZINC000830737304 603601167 /nfs/dbraw/zinc/60/11/67/603601167.db2.gz GZBWBYWDVNHHBM-VXGBXAGGSA-N -1 0 366.378 -0.191 20 0 FBADRM Cc1nc([C@H]2CN(CN3CC4(CN(C(=O)[O-])C4)CC3=O)CCO2)no1 ZINC000830737442 603589407 /nfs/dbraw/zinc/58/94/07/603589407.db2.gz IZVDGDNTZPYZHJ-LLVKDONJSA-N -1 0 351.363 -0.079 20 0 FBADRM Cc1nc([C@@H]2CN(CN3CC4(CN(C(=O)[O-])C4)CC3=O)CCO2)no1 ZINC000830737443 603589477 /nfs/dbraw/zinc/58/94/77/603589477.db2.gz IZVDGDNTZPYZHJ-NSHDSACASA-N -1 0 351.363 -0.079 20 0 FBADRM Cc1nnc([C@@H]2CCCN(C(=O)CN3CCN(C(=O)[O-])CC3=O)C2)[nH]1 ZINC000830737781 604646718 /nfs/dbraw/zinc/64/67/18/604646718.db2.gz MTKLFBFDRLYXAP-LLVKDONJSA-N -1 0 350.379 -0.359 20 0 FBADRM Cc1nnc([C@H]2CCCN(C(=O)CN3CCN(C(=O)[O-])CC3=O)C2)[nH]1 ZINC000830737782 604647118 /nfs/dbraw/zinc/64/71/18/604647118.db2.gz MTKLFBFDRLYXAP-NSHDSACASA-N -1 0 350.379 -0.359 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000830742401 601264054 /nfs/dbraw/zinc/26/40/54/601264054.db2.gz ACNPVUCQEGUDND-JTQLQIEISA-N -1 0 359.408 -0.844 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000830742406 601263838 /nfs/dbraw/zinc/26/38/38/601263838.db2.gz ACNPVUCQEGUDND-SNVBAGLBSA-N -1 0 359.408 -0.844 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CSC[C@H]1C(=O)N1CCCC1 ZINC000830742429 600994738 /nfs/dbraw/zinc/99/47/38/600994738.db2.gz BECOIYSXBCOACZ-JTQLQIEISA-N -1 0 351.450 -0.365 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000830742433 600994741 /nfs/dbraw/zinc/99/47/41/600994741.db2.gz BECOIYSXBCOACZ-SNVBAGLBSA-N -1 0 351.450 -0.365 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000830742486 601261168 /nfs/dbraw/zinc/26/11/68/601261168.db2.gz CUWWPHDGGJHVFS-LLVKDONJSA-N -1 0 370.431 -0.395 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000830742488 601261043 /nfs/dbraw/zinc/26/10/43/601261043.db2.gz CUWWPHDGGJHVFS-NSHDSACASA-N -1 0 370.431 -0.395 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000830742583 601264936 /nfs/dbraw/zinc/26/49/36/601264936.db2.gz GOJXNJYGVYGVFE-JTQLQIEISA-N -1 0 352.409 -0.320 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000830742584 601264548 /nfs/dbraw/zinc/26/45/48/601264548.db2.gz GOJXNJYGVYGVFE-SNVBAGLBSA-N -1 0 352.409 -0.320 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000830742629 601258658 /nfs/dbraw/zinc/25/86/58/601258658.db2.gz JPCYHQWZVGDUFI-UHFFFAOYSA-N -1 0 355.416 -0.188 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000830742632 601564188 /nfs/dbraw/zinc/56/41/88/601564188.db2.gz JUIYCZXNAUCQKH-GHMZBOCLSA-N -1 0 354.450 -0.321 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000830742633 601564192 /nfs/dbraw/zinc/56/41/92/601564192.db2.gz JUIYCZXNAUCQKH-MNOVXSKESA-N -1 0 354.450 -0.321 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000830742634 601564190 /nfs/dbraw/zinc/56/41/90/601564190.db2.gz JUIYCZXNAUCQKH-QWRGUYRKSA-N -1 0 354.450 -0.321 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000830742635 601564223 /nfs/dbraw/zinc/56/42/23/601564223.db2.gz JUIYCZXNAUCQKH-WDEREUQCSA-N -1 0 354.450 -0.321 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C ZINC000830742653 600994768 /nfs/dbraw/zinc/99/47/68/600994768.db2.gz LKKSGKGJFJXRNI-SECBINFHSA-N -1 0 353.466 -0.073 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CSC[C@H]1C(=O)NC(C)(C)C ZINC000830742654 600994883 /nfs/dbraw/zinc/99/48/83/600994883.db2.gz LKKSGKGJFJXRNI-VIFPVBQESA-N -1 0 353.466 -0.073 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000830742660 604812080 /nfs/dbraw/zinc/81/20/80/604812080.db2.gz LXHJWPJMKFFRQM-MRVPVSSYSA-N -1 0 361.342 -0.219 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000830742661 604812006 /nfs/dbraw/zinc/81/20/06/604812006.db2.gz LXHJWPJMKFFRQM-QMMMGPOBSA-N -1 0 361.342 -0.219 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CSC[C@H]1C(=O)NCC1CC1 ZINC000830742665 600994956 /nfs/dbraw/zinc/99/49/56/600994956.db2.gz MDRRLFXVMMRARU-JTQLQIEISA-N -1 0 351.450 -0.461 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N1CSC[C@@H]1C(=O)NCC1CC1 ZINC000830742666 600994749 /nfs/dbraw/zinc/99/47/49/600994749.db2.gz MDRRLFXVMMRARU-SNVBAGLBSA-N -1 0 351.450 -0.461 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000830742830 601263374 /nfs/dbraw/zinc/26/33/74/601263374.db2.gz RAGSUHQPZSRRDJ-LLVKDONJSA-N -1 0 359.408 -0.844 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000830742831 601263279 /nfs/dbraw/zinc/26/32/79/601263279.db2.gz RAGSUHQPZSRRDJ-NSHDSACASA-N -1 0 359.408 -0.844 20 0 FBADRM Cc1nc(CN(C)[C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)C2)no1 ZINC000830746452 604282339 /nfs/dbraw/zinc/28/23/39/604282339.db2.gz KFOWKDPPIASQCF-NEPJUHHUSA-N -1 0 353.379 -0.210 20 0 FBADRM Cc1nc(CN(C)[C@H]2CCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)C2)no1 ZINC000830746453 604282550 /nfs/dbraw/zinc/28/25/50/604282550.db2.gz KFOWKDPPIASQCF-NWDGAFQWSA-N -1 0 353.379 -0.210 20 0 FBADRM Cc1nc(CN(C)[C@H]2CCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)C2)no1 ZINC000830746454 604282497 /nfs/dbraw/zinc/28/24/97/604282497.db2.gz KFOWKDPPIASQCF-RYUDHWBXSA-N -1 0 353.379 -0.210 20 0 FBADRM Cc1nc(CN(C)[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)C2)no1 ZINC000830746455 604282625 /nfs/dbraw/zinc/28/26/25/604282625.db2.gz KFOWKDPPIASQCF-VXGBXAGGSA-N -1 0 353.379 -0.210 20 0 FBADRM Cc1nc(CN(C)[C@@H]2CCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])C2)no1 ZINC000830746596 604096550 /nfs/dbraw/zinc/09/65/50/604096550.db2.gz MJMZGTJYOKCTCX-GRYCIOLGSA-N -1 0 353.379 -0.476 20 0 FBADRM Cc1nc(CN(C)[C@@H]2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])C2)no1 ZINC000830746597 604096727 /nfs/dbraw/zinc/09/67/27/604096727.db2.gz MJMZGTJYOKCTCX-IJLUTSLNSA-N -1 0 353.379 -0.476 20 0 FBADRM Cc1nc(CN(C)[C@@H]2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])C2)no1 ZINC000830746598 604096393 /nfs/dbraw/zinc/09/63/93/604096393.db2.gz MJMZGTJYOKCTCX-UTUOFQBUSA-N -1 0 353.379 -0.476 20 0 FBADRM Cc1nc(CN(C)[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])C2)no1 ZINC000830746599 604096619 /nfs/dbraw/zinc/09/66/19/604096619.db2.gz MJMZGTJYOKCTCX-WOPDTQHZSA-N -1 0 353.379 -0.476 20 0 FBADRM Cc1nc(CN(C)[C@@H]2CCN(C(=O)[C@@H]3COCCN3C(=O)[O-])C2)no1 ZINC000830746679 604060434 /nfs/dbraw/zinc/06/04/34/604060434.db2.gz OOWJIYBXRQMZKS-NEPJUHHUSA-N -1 0 353.379 -0.210 20 0 FBADRM Cc1nc(CN(C)[C@H]2CCN(C(=O)[C@H]3COCCN3C(=O)[O-])C2)no1 ZINC000830746680 604060406 /nfs/dbraw/zinc/06/04/06/604060406.db2.gz OOWJIYBXRQMZKS-NWDGAFQWSA-N -1 0 353.379 -0.210 20 0 FBADRM Cc1nc(CN(C)[C@H]2CCN(C(=O)[C@@H]3COCCN3C(=O)[O-])C2)no1 ZINC000830746681 604060247 /nfs/dbraw/zinc/06/02/47/604060247.db2.gz OOWJIYBXRQMZKS-RYUDHWBXSA-N -1 0 353.379 -0.210 20 0 FBADRM Cc1nc(CN(C)[C@@H]2CCN(C(=O)[C@H]3COCCN3C(=O)[O-])C2)no1 ZINC000830746682 604060640 /nfs/dbraw/zinc/06/06/40/604060640.db2.gz OOWJIYBXRQMZKS-VXGBXAGGSA-N -1 0 353.379 -0.210 20 0 FBADRM Cc1nc(CN(C)[C@@H]2CCN(C(=O)COC3CN(C(=O)[O-])C3)C2)no1 ZINC000830746770 604096566 /nfs/dbraw/zinc/09/65/66/604096566.db2.gz RIHPXXURQVRYFB-LLVKDONJSA-N -1 0 353.379 -0.210 20 0 FBADRM Cc1nc(CN(C)[C@H]2CCN(C(=O)COC3CN(C(=O)[O-])C3)C2)no1 ZINC000830746771 604096746 /nfs/dbraw/zinc/09/67/46/604096746.db2.gz RIHPXXURQVRYFB-NSHDSACASA-N -1 0 353.379 -0.210 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCNC(=O)c1c(F)cccc1F ZINC000830747367 601261604 /nfs/dbraw/zinc/26/16/04/601261604.db2.gz FVRHCJCMJYQIMS-UHFFFAOYSA-N -1 0 365.358 -0.065 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000830747369 600994746 /nfs/dbraw/zinc/99/47/46/600994746.db2.gz FWQGLLJXFTVQMX-UHFFFAOYSA-N -1 0 361.395 -0.275 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000830747372 601256473 /nfs/dbraw/zinc/25/64/73/601256473.db2.gz GEJYDJLOGPUUFE-CYBMUJFWSA-N -1 0 367.493 -0.565 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000830747373 601256540 /nfs/dbraw/zinc/25/65/40/601256540.db2.gz GEJYDJLOGPUUFE-ZDUSSCGKSA-N -1 0 367.493 -0.565 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000830747408 601256637 /nfs/dbraw/zinc/25/66/37/601256637.db2.gz JWOZAMSQAXNCAT-UHFFFAOYSA-N -1 0 355.372 -0.477 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000830747468 601262439 /nfs/dbraw/zinc/26/24/39/601262439.db2.gz KJKLXBYUDCGNOI-UHFFFAOYSA-N -1 0 369.396 -0.786 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCCS(=O)(=O)Cc1ccccc1 ZINC000830747511 601257432 /nfs/dbraw/zinc/25/74/32/601257432.db2.gz MCDATWNAISNDAV-UHFFFAOYSA-N -1 0 364.445 -0.158 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCC1(O)CCC2(CC1)OCCO2 ZINC000830747552 602165642 /nfs/dbraw/zinc/16/56/42/602165642.db2.gz OODYSSPCOAYXMP-UHFFFAOYSA-N -1 0 352.409 -0.725 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000830747597 600994931 /nfs/dbraw/zinc/99/49/31/600994931.db2.gz UFWNKUYLAUAKCJ-LLVKDONJSA-N -1 0 361.395 -0.289 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000830747598 600994965 /nfs/dbraw/zinc/99/49/65/600994965.db2.gz UFWNKUYLAUAKCJ-NSHDSACASA-N -1 0 361.395 -0.289 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000830747623 601254851 /nfs/dbraw/zinc/25/48/51/601254851.db2.gz VZDGKSXPGBNGDY-UHFFFAOYSA-N -1 0 371.481 -0.521 20 0 FBADRM Cc1nc(CN2CCCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)CC2)no1 ZINC000830750414 604881253 /nfs/dbraw/zinc/88/12/53/604881253.db2.gz AMICSOQTUUVZTA-GFCCVEGCSA-N -1 0 353.379 -0.209 20 0 FBADRM Cc1nc(CN2CCCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)CC2)no1 ZINC000830750415 604881029 /nfs/dbraw/zinc/88/10/29/604881029.db2.gz AMICSOQTUUVZTA-LBPRGKRZSA-N -1 0 353.379 -0.209 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)CN3CCC(NC(=O)[O-])CC3)CC2)[nH]1 ZINC000830750429 605729321 /nfs/dbraw/zinc/72/93/21/605729321.db2.gz AUXPSBGLVAEUNV-UHFFFAOYSA-N -1 0 365.438 -0.511 20 0 FBADRM Cc1nc(CN2CCCN(C(=O)COC3CN(C(=O)[O-])C3)CC2)no1 ZINC000830750655 604006035 /nfs/dbraw/zinc/00/60/35/604006035.db2.gz DSWXYSNMZFYFTR-UHFFFAOYSA-N -1 0 353.379 -0.209 20 0 FBADRM Cc1nc(CN2CCN(C(=O)CN3CCC(NC(=O)[O-])CC3)CC2)no1 ZINC000830750670 605707985 /nfs/dbraw/zinc/70/79/85/605707985.db2.gz FGDAIRHHQKZMOG-UHFFFAOYSA-N -1 0 366.422 -0.246 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)CC2)[nH]1 ZINC000830751206 604924912 /nfs/dbraw/zinc/92/49/12/604924912.db2.gz JYJLGTXCIKBTHX-GFCCVEGCSA-N -1 0 352.395 -0.474 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)C[C@H]3CN(C(=O)[O-])CCO3)CC2)[nH]1 ZINC000830751212 604925346 /nfs/dbraw/zinc/92/53/46/604925346.db2.gz JYJLGTXCIKBTHX-LBPRGKRZSA-N -1 0 352.395 -0.474 20 0 FBADRM Cc1nc(CN2CCCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])CC2)no1 ZINC000830751216 603780066 /nfs/dbraw/zinc/78/00/66/603780066.db2.gz KAVDBRUYMCAZHQ-NEPJUHHUSA-N -1 0 353.379 -0.474 20 0 FBADRM Cc1nc(CN2CCCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])CC2)no1 ZINC000830751218 603780008 /nfs/dbraw/zinc/78/00/08/603780008.db2.gz KAVDBRUYMCAZHQ-NWDGAFQWSA-N -1 0 353.379 -0.474 20 0 FBADRM Cc1nc(CN2CCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])CC2)no1 ZINC000830751220 603779657 /nfs/dbraw/zinc/77/96/57/603779657.db2.gz KAVDBRUYMCAZHQ-RYUDHWBXSA-N -1 0 353.379 -0.474 20 0 FBADRM Cc1nc(CN2CCCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])CC2)no1 ZINC000830751222 603779787 /nfs/dbraw/zinc/77/97/87/603779787.db2.gz KAVDBRUYMCAZHQ-VXGBXAGGSA-N -1 0 353.379 -0.474 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)CO[C@@H]3CCCN(C(=O)[O-])C3)CC2)[nH]1 ZINC000830751735 605347741 /nfs/dbraw/zinc/34/77/41/605347741.db2.gz PXQBABZMSBVFSF-CYBMUJFWSA-N -1 0 366.422 -0.084 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)CO[C@H]3CCCN(C(=O)[O-])C3)CC2)[nH]1 ZINC000830751742 605347348 /nfs/dbraw/zinc/34/73/48/605347348.db2.gz PXQBABZMSBVFSF-ZDUSSCGKSA-N -1 0 366.422 -0.084 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC000830751803 601987699 /nfs/dbraw/zinc/98/76/99/601987699.db2.gz FUVODSHGQDMBMD-UHFFFAOYSA-N -1 0 362.429 -0.243 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1cccnc1N1CCOCC1 ZINC000830752040 600993631 /nfs/dbraw/zinc/99/36/31/600993631.db2.gz NUQMQOXDBFOXNZ-UHFFFAOYSA-N -1 0 358.420 -0.341 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000830752200 601253362 /nfs/dbraw/zinc/25/33/62/601253362.db2.gz TVJCJSHPCYYVFZ-UHFFFAOYSA-N -1 0 357.435 -0.864 20 0 FBADRM CN(CCC(=O)[O-])S(=O)(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000830752232 601254817 /nfs/dbraw/zinc/25/48/17/601254817.db2.gz VBGYRKMLRCMUGS-UHFFFAOYSA-N -1 0 358.420 -0.341 20 0 FBADRM Cc1nc(CN2CCN(C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)CC2)no1 ZINC000830752640 604844697 /nfs/dbraw/zinc/84/46/97/604844697.db2.gz ZHANQWKGENMWQE-GFCCVEGCSA-N -1 0 353.379 -0.209 20 0 FBADRM Cc1nc(CN2CCN(C(=O)C[C@H]3CN(C(=O)[O-])CCO3)CC2)no1 ZINC000830752641 604844867 /nfs/dbraw/zinc/84/48/67/604844867.db2.gz ZHANQWKGENMWQE-LBPRGKRZSA-N -1 0 353.379 -0.209 20 0 FBADRM Cc1nc(CNC(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)no1 ZINC000830757117 604163420 /nfs/dbraw/zinc/16/34/20/604163420.db2.gz LNEDLUCSNWLLAN-JTQLQIEISA-N -1 0 354.367 -0.317 20 0 FBADRM Cc1nc(CNC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)no1 ZINC000830757118 604163233 /nfs/dbraw/zinc/16/32/33/604163233.db2.gz LNEDLUCSNWLLAN-SNVBAGLBSA-N -1 0 354.367 -0.317 20 0 FBADRM Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NCCNC(=O)[O-] ZINC000830763892 605208641 /nfs/dbraw/zinc/20/86/41/605208641.db2.gz FXQXMIGZUBEUEZ-UHFFFAOYSA-N -1 0 351.363 -0.451 20 0 FBADRM Cc1nc(N(C)C)nc(N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)n1 ZINC000830764888 605457458 /nfs/dbraw/zinc/45/74/58/605457458.db2.gz NYKCQDCSUOQWAS-LLVKDONJSA-N -1 0 351.411 -0.154 20 0 FBADRM Cc1nc(N(C)C)nc(N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)n1 ZINC000830764889 605457461 /nfs/dbraw/zinc/45/74/61/605457461.db2.gz NYKCQDCSUOQWAS-NSHDSACASA-N -1 0 351.411 -0.154 20 0 FBADRM Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NCCN(C)C(=O)[O-] ZINC000830765764 605210609 /nfs/dbraw/zinc/21/06/09/605210609.db2.gz VLPVKNVKUYHUKS-UHFFFAOYSA-N -1 0 365.390 -0.109 20 0 FBADRM Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NCCCNC(=O)[O-] ZINC000830765915 605208418 /nfs/dbraw/zinc/20/84/18/605208418.db2.gz XTUZHRXYZLTZJZ-UHFFFAOYSA-N -1 0 365.390 -0.061 20 0 FBADRM Cc1nc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)n(-c2ccccc2)n1 ZINC000830769774 603898634 /nfs/dbraw/zinc/89/86/34/603898634.db2.gz LEGSWTYDTQBKIN-UHFFFAOYSA-N -1 0 358.358 -0.242 20 0 FBADRM CN(CCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)S(C)(=O)=O ZINC000830772204 600770131 /nfs/dbraw/zinc/77/01/31/600770131.db2.gz CCQHAFSICNCWSN-UHFFFAOYSA-N -1 0 353.422 -0.717 20 0 FBADRM CN(CCCNC(=O)C(=O)Nc1sccc1C(=O)[O-])S(C)(=O)=O ZINC000830772708 600870964 /nfs/dbraw/zinc/87/09/64/600870964.db2.gz MDVPTFXGXNGVHL-UHFFFAOYSA-N -1 0 363.417 -0.218 20 0 FBADRM CN(CCCNC(=O)CN1CCSC[C@H]1CC(=O)[O-])S(C)(=O)=O ZINC000830773088 601024272 /nfs/dbraw/zinc/02/42/72/601024272.db2.gz PUTSXJVNZQAHHO-LLVKDONJSA-N -1 0 367.493 -0.724 20 0 FBADRM CN(CCCNC(=O)CN1CCSC[C@@H]1CC(=O)[O-])S(C)(=O)=O ZINC000830773089 601023691 /nfs/dbraw/zinc/02/36/91/601023691.db2.gz PUTSXJVNZQAHHO-NSHDSACASA-N -1 0 367.493 -0.724 20 0 FBADRM CN(CCCNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1)S(C)(=O)=O ZINC000830773093 604477518 /nfs/dbraw/zinc/47/75/18/604477518.db2.gz PZUIHESDQZEMIM-UHFFFAOYSA-N -1 0 363.417 -0.218 20 0 FBADRM CN(CCCNC(=O)COC(=O)c1cnccc1C(=O)[O-])S(C)(=O)=O ZINC000830773164 604871952 /nfs/dbraw/zinc/87/19/52/604871952.db2.gz VACDUXXTBIPAGB-UHFFFAOYSA-N -1 0 373.387 -0.666 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)NC(=O)[O-])CC2)cn1C ZINC000830773579 605137191 /nfs/dbraw/zinc/13/71/91/605137191.db2.gz AHDRLRWFWGUIBR-SECBINFHSA-N -1 0 359.408 -0.782 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H](C)NC(=O)[O-])CC2)cn1C ZINC000830773580 605137476 /nfs/dbraw/zinc/13/74/76/605137476.db2.gz AHDRLRWFWGUIBR-VIFPVBQESA-N -1 0 359.408 -0.782 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N(C)[C@H]2CCN(C(=O)[O-])C2)cn1C ZINC000830773674 603711468 /nfs/dbraw/zinc/71/14/68/603711468.db2.gz CPSDNWYNXSUWQT-JTQLQIEISA-N -1 0 359.408 -0.782 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N(C)[C@@H]2CCN(C(=O)[O-])C2)cn1C ZINC000830773676 603711388 /nfs/dbraw/zinc/71/13/88/603711388.db2.gz CPSDNWYNXSUWQT-SNVBAGLBSA-N -1 0 359.408 -0.782 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)CN(C)C(=O)[O-])CC2)cn1C ZINC000830773992 605136885 /nfs/dbraw/zinc/13/68/85/605136885.db2.gz DSGRKMZOAUDRSE-UHFFFAOYSA-N -1 0 359.408 -0.829 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2CN(C)C(=O)[O-])cn1C ZINC000830774007 603163788 /nfs/dbraw/zinc/16/37/88/603163788.db2.gz FFYOAHSWNMOXMC-LLVKDONJSA-N -1 0 373.435 -0.392 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC[C@H]2CN(C)C(=O)[O-])cn1C ZINC000830774008 603163769 /nfs/dbraw/zinc/16/37/69/603163769.db2.gz FFYOAHSWNMOXMC-NSHDSACASA-N -1 0 373.435 -0.392 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@H](N(C)C(=O)[O-])C2)cn1C ZINC000830774034 603512942 /nfs/dbraw/zinc/51/29/42/603512942.db2.gz GLHJWHYEGASGMU-JTQLQIEISA-N -1 0 359.408 -0.782 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)cn1C ZINC000830774035 603513291 /nfs/dbraw/zinc/51/32/91/603513291.db2.gz GLHJWHYEGASGMU-SNVBAGLBSA-N -1 0 359.408 -0.782 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[O-])CC2(C)C)cn1C ZINC000830774066 603950893 /nfs/dbraw/zinc/95/08/93/603950893.db2.gz GYBDUWRTXYVMCW-UHFFFAOYSA-N -1 0 373.435 -0.392 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CCC[C@@H]2CNC(=O)[O-])cn1C ZINC000830774507 603127382 /nfs/dbraw/zinc/12/73/82/603127382.db2.gz IGDHALLRFSMDPM-LLVKDONJSA-N -1 0 373.435 -0.344 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CCC[C@H]2CNC(=O)[O-])cn1C ZINC000830774508 603127462 /nfs/dbraw/zinc/12/74/62/603127462.db2.gz IGDHALLRFSMDPM-NSHDSACASA-N -1 0 373.435 -0.344 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)C(C)(C)NC(=O)[O-])CC2)cn1C ZINC000830774580 605137463 /nfs/dbraw/zinc/13/74/63/605137463.db2.gz JTYQLODTUOFVDK-UHFFFAOYSA-N -1 0 373.435 -0.392 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)NCCNC(=O)[O-])CC2)cn1C ZINC000830775067 604981405 /nfs/dbraw/zinc/98/14/05/604981405.db2.gz LWRUHZMSLRYTRO-UHFFFAOYSA-N -1 0 374.423 -0.988 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)sc1C ZINC000830775588 605496381 /nfs/dbraw/zinc/49/63/81/605496381.db2.gz QGNPPMAUENNJTH-UHFFFAOYSA-N -1 0 362.433 -0.140 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC[C@H]2CNC(=O)[O-])cn1C ZINC000830775668 603127363 /nfs/dbraw/zinc/12/73/63/603127363.db2.gz QWKSRJNJJUYSJQ-JTQLQIEISA-N -1 0 359.408 -0.735 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2CNC(=O)[O-])cn1C ZINC000830775670 603127349 /nfs/dbraw/zinc/12/73/49/603127349.db2.gz QWKSRJNJJUYSJQ-SNVBAGLBSA-N -1 0 359.408 -0.735 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NCC(C)(C)NC(=O)[O-])cn1C ZINC000830775711 603667819 /nfs/dbraw/zinc/66/78/19/603667819.db2.gz RIEBBFDHVGXYQA-UHFFFAOYSA-N -1 0 361.424 -0.441 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@@H](NC(=O)[O-])C[C@@H]2C)cn1C ZINC000830775744 605730764 /nfs/dbraw/zinc/73/07/64/605730764.db2.gz SIPNFYMGNBKSEZ-GXSJLCMTSA-N -1 0 373.435 -0.346 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@H](NC(=O)[O-])C[C@H]2C)cn1C ZINC000830775745 605730695 /nfs/dbraw/zinc/73/06/95/605730695.db2.gz SIPNFYMGNBKSEZ-KOLCDFICSA-N -1 0 373.435 -0.346 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@@H](NC(=O)[O-])C[C@H]2C)cn1C ZINC000830775746 605730913 /nfs/dbraw/zinc/73/09/13/605730913.db2.gz SIPNFYMGNBKSEZ-MWLCHTKSSA-N -1 0 373.435 -0.346 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@H](NC(=O)[O-])C[C@@H]2C)cn1C ZINC000830775747 605730682 /nfs/dbraw/zinc/73/06/82/605730682.db2.gz SIPNFYMGNBKSEZ-ONGXEEELSA-N -1 0 373.435 -0.346 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)O[C@H]2CCN(C(=O)[O-])C2)cn1C ZINC000830775764 603502800 /nfs/dbraw/zinc/50/28/00/603502800.db2.gz SVUXTNGGLQZBAT-JTQLQIEISA-N -1 0 360.392 -0.308 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)O[C@@H]2CCN(C(=O)[O-])C2)cn1C ZINC000830775765 661141935 /nfs/dbraw/zinc/14/19/35/661141935.db2.gz SVUXTNGGLQZBAT-SNVBAGLBSA-N -1 0 360.392 -0.308 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)OC[C@@H]2CCN(C(=O)[O-])C2)cn1C ZINC000830775896 603800955 /nfs/dbraw/zinc/80/09/55/603800955.db2.gz UPVBWTOQRNYOQC-LLVKDONJSA-N -1 0 374.419 -0.060 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)OC[C@H]2CCN(C(=O)[O-])C2)cn1C ZINC000830775897 603800952 /nfs/dbraw/zinc/80/09/52/603800952.db2.gz UPVBWTOQRNYOQC-NSHDSACASA-N -1 0 374.419 -0.060 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)CCCNC(=O)[O-])CC2)cn1C ZINC000830775903 605136962 /nfs/dbraw/zinc/13/69/62/605136962.db2.gz VCMFSGNZYINAHD-UHFFFAOYSA-N -1 0 373.435 -0.391 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)CCNC(=O)[O-])CC2)cn1C ZINC000830775959 604303054 /nfs/dbraw/zinc/30/30/54/604303054.db2.gz XHAFWWQFOPYEGP-UHFFFAOYSA-N -1 0 359.408 -0.781 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)OC[C@H]2CCN(C(=O)[O-])C2)cn1C ZINC000830775961 603801179 /nfs/dbraw/zinc/80/11/79/603801179.db2.gz XHMHQSNHBWDWGG-JTQLQIEISA-N -1 0 360.392 -0.450 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)OC[C@@H]2CCN(C(=O)[O-])C2)cn1C ZINC000830775962 603801098 /nfs/dbraw/zinc/80/10/98/603801098.db2.gz XHMHQSNHBWDWGG-SNVBAGLBSA-N -1 0 360.392 -0.450 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)OC2(C)CN(C(=O)[O-])C2)cn1C ZINC000830776019 605407800 /nfs/dbraw/zinc/40/78/00/605407800.db2.gz XUCGJODWXSXQLC-UHFFFAOYSA-N -1 0 360.392 -0.308 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N(C)[C@@H]2CCN(C(=O)[O-])C2)cn1C ZINC000830776038 603711280 /nfs/dbraw/zinc/71/12/80/603711280.db2.gz YMJMCLDDBBUICG-LLVKDONJSA-N -1 0 373.435 -0.392 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N(C)[C@H]2CCN(C(=O)[O-])C2)cn1C ZINC000830776039 603711505 /nfs/dbraw/zinc/71/15/05/603711505.db2.gz YMJMCLDDBBUICG-NSHDSACASA-N -1 0 373.435 -0.392 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)C3(NC(=O)[O-])CC3)CC2)cn1C ZINC000830776056 605137147 /nfs/dbraw/zinc/13/71/47/605137147.db2.gz YWWFUVZIRJRUOE-UHFFFAOYSA-N -1 0 371.419 -0.638 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)C[C@H](C)NC(=O)[O-])CC2)cn1C ZINC000830776094 605137474 /nfs/dbraw/zinc/13/74/74/605137474.db2.gz ZSCKTHVXKLZLRE-JTQLQIEISA-N -1 0 373.435 -0.392 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)C[C@@H](C)NC(=O)[O-])CC2)cn1C ZINC000830776095 605137376 /nfs/dbraw/zinc/13/73/76/605137376.db2.gz ZSCKTHVXKLZLRE-SNVBAGLBSA-N -1 0 373.435 -0.392 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)cn1C ZINC000830776116 603542341 /nfs/dbraw/zinc/54/23/41/603542341.db2.gz ZYPXJNOSLUZVTL-LLVKDONJSA-N -1 0 373.435 -0.392 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@H](N(C)C(=O)[O-])C2)cn1C ZINC000830776118 603542335 /nfs/dbraw/zinc/54/23/35/603542335.db2.gz ZYPXJNOSLUZVTL-NSHDSACASA-N -1 0 373.435 -0.392 20 0 FBADRM CN(CCN1CCCS1(=O)=O)CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000830781079 601549530 /nfs/dbraw/zinc/54/95/30/601549530.db2.gz GOUXSPUMRDRYBB-UHFFFAOYSA-N -1 0 361.464 -0.143 20 0 FBADRM CN(CCN1CCCS1(=O)=O)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000830781181 601481259 /nfs/dbraw/zinc/48/12/59/601481259.db2.gz NLMCECSMOHOWLN-UHFFFAOYSA-N -1 0 369.399 -0.183 20 0 FBADRM CN(CCN1CCCS1(=O)=O)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000830781188 601520313 /nfs/dbraw/zinc/52/03/13/601520313.db2.gz NTUAUSBVBZHKRU-UHFFFAOYSA-N -1 0 354.450 -0.462 20 0 FBADRM CN(CCN1CCCS1(=O)=O)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000830781285 601481385 /nfs/dbraw/zinc/48/13/85/601481385.db2.gz UICRXUHVEOWANQ-UHFFFAOYSA-N -1 0 369.399 -0.183 20 0 FBADRM CN1C(=O)CN(CC(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)C1=O ZINC000830790533 661141940 /nfs/dbraw/zinc/14/19/40/661141940.db2.gz WUZXQJBOSOMTHX-GFCCVEGCSA-N -1 0 350.297 -0.450 20 0 FBADRM CN1C(=O)CN(CC(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)C1=O ZINC000830790534 661142278 /nfs/dbraw/zinc/14/22/78/661142278.db2.gz WUZXQJBOSOMTHX-LBPRGKRZSA-N -1 0 350.297 -0.450 20 0 FBADRM CN1CC[C@@H](C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)S1(=O)=O ZINC000830795714 661142348 /nfs/dbraw/zinc/14/23/48/661142348.db2.gz NZWCNUXSODXXTL-GZMMTYOYSA-N -1 0 357.354 -0.310 20 0 FBADRM CN1CC[C@H](C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)S1(=O)=O ZINC000830795715 661142257 /nfs/dbraw/zinc/14/22/57/661142257.db2.gz NZWCNUXSODXXTL-KCJUWKMLSA-N -1 0 357.354 -0.310 20 0 FBADRM CN1CC[C@@H](C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)S1(=O)=O ZINC000830795716 661142340 /nfs/dbraw/zinc/14/23/40/661142340.db2.gz NZWCNUXSODXXTL-KWQFWETISA-N -1 0 357.354 -0.310 20 0 FBADRM CN1CC[C@H](C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)S1(=O)=O ZINC000830795717 661142407 /nfs/dbraw/zinc/14/24/07/661142407.db2.gz NZWCNUXSODXXTL-LDYMZIIASA-N -1 0 357.354 -0.310 20 0 FBADRM Cc1nc2n(n1)CCN(C(=O)NCCCN1CCN(C(=O)[O-])CC1)C2 ZINC000830798656 603844643 /nfs/dbraw/zinc/84/46/43/603844643.db2.gz JZGAPAJQWONYAF-UHFFFAOYSA-N -1 0 351.411 -0.203 20 0 FBADRM Cc1nc2n(n1)CCC[C@H]2NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000830799388 603625437 /nfs/dbraw/zinc/62/54/37/603625437.db2.gz NFYNNBVPXQCITI-LLVKDONJSA-N -1 0 365.394 -0.457 20 0 FBADRM Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000830799392 603625610 /nfs/dbraw/zinc/62/56/10/603625610.db2.gz NFYNNBVPXQCITI-NSHDSACASA-N -1 0 365.394 -0.457 20 0 FBADRM Cc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1)CC2 ZINC000830800385 604804596 /nfs/dbraw/zinc/80/45/96/604804596.db2.gz YQQIZDXEVSKHIJ-JLLWLGSASA-N -1 0 352.395 -0.032 20 0 FBADRM Cc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1)CC2 ZINC000830800386 604804857 /nfs/dbraw/zinc/80/48/57/604804857.db2.gz YQQIZDXEVSKHIJ-MVWJERBFSA-N -1 0 352.395 -0.032 20 0 FBADRM Cc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1)CC2 ZINC000830800387 604804668 /nfs/dbraw/zinc/80/46/68/604804668.db2.gz YQQIZDXEVSKHIJ-WCQGTBRESA-N -1 0 352.395 -0.032 20 0 FBADRM Cc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1)CC2 ZINC000830800388 604804655 /nfs/dbraw/zinc/80/46/55/604804655.db2.gz YQQIZDXEVSKHIJ-YUSALJHKSA-N -1 0 352.395 -0.032 20 0 FBADRM CN(CCc1ccccn1)C(=O)CNS(=O)(=O)N(C)CCC(=O)[O-] ZINC000830800534 601259555 /nfs/dbraw/zinc/25/95/55/601259555.db2.gz GNQYNYMLGRGMHL-UHFFFAOYSA-N -1 0 358.420 -0.677 20 0 FBADRM CN(CCc1ccccn1)C(=O)CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000830800666 601773250 /nfs/dbraw/zinc/77/32/50/601773250.db2.gz RRTXYQLROMATLK-AWEZNQCLSA-N -1 0 364.402 -0.032 20 0 FBADRM CN(CCc1ccccn1)C(=O)CNC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000830800667 601773292 /nfs/dbraw/zinc/77/32/92/601773292.db2.gz RRTXYQLROMATLK-CQSZACIVSA-N -1 0 364.402 -0.032 20 0 FBADRM CN(C)S(=O)(=O)NCC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830801029 661142213 /nfs/dbraw/zinc/14/22/13/661142213.db2.gz FQQVWWFXANGOKT-JTQLQIEISA-N -1 0 360.358 -0.948 20 0 FBADRM CN(C)S(=O)(=O)NCC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830801030 661142188 /nfs/dbraw/zinc/14/21/88/661142188.db2.gz FQQVWWFXANGOKT-SNVBAGLBSA-N -1 0 360.358 -0.948 20 0 FBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830801131 661142351 /nfs/dbraw/zinc/14/23/51/661142351.db2.gz HNICEBHSVRBCRX-LLVKDONJSA-N -1 0 374.385 -0.606 20 0 FBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830801132 661142404 /nfs/dbraw/zinc/14/24/04/661142404.db2.gz HNICEBHSVRBCRX-NSHDSACASA-N -1 0 374.385 -0.606 20 0 FBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830801720 661142436 /nfs/dbraw/zinc/14/24/36/661142436.db2.gz NBKSGFLZOAJEQK-GZMMTYOYSA-N -1 0 359.370 -0.016 20 0 FBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830801726 661142335 /nfs/dbraw/zinc/14/23/35/661142335.db2.gz NBKSGFLZOAJEQK-KCJUWKMLSA-N -1 0 359.370 -0.016 20 0 FBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830801727 661142412 /nfs/dbraw/zinc/14/24/12/661142412.db2.gz NBKSGFLZOAJEQK-KWQFWETISA-N -1 0 359.370 -0.016 20 0 FBADRM CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830801729 661142373 /nfs/dbraw/zinc/14/23/73/661142373.db2.gz NBKSGFLZOAJEQK-LDYMZIIASA-N -1 0 359.370 -0.016 20 0 FBADRM Cc1ncc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)s1 ZINC000830804133 603554052 /nfs/dbraw/zinc/55/40/52/603554052.db2.gz FPVWLLKEPQMFRC-UHFFFAOYSA-N -1 0 374.444 -0.099 20 0 FBADRM Cc1ncc(C(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)c(N)n1 ZINC000830805021 605875635 /nfs/dbraw/zinc/87/56/35/605875635.db2.gz RCPNNPKPUMGGSB-JTQLQIEISA-N -1 0 350.379 -0.397 20 0 FBADRM Cc1ncc(C(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)c(N)n1 ZINC000830805022 605875292 /nfs/dbraw/zinc/87/52/92/605875292.db2.gz RCPNNPKPUMGGSB-SNVBAGLBSA-N -1 0 350.379 -0.397 20 0 FBADRM Cc1ncc(CN2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)cn1 ZINC000830809795 604099874 /nfs/dbraw/zinc/09/98/74/604099874.db2.gz ZFBZPSGBVBYUAQ-UHFFFAOYSA-N -1 0 355.420 -0.405 20 0 FBADRM Cc1nccc(C(=O)NCC(CNC(=O)c2ccnc(C)n2)NC(=O)[O-])n1 ZINC000830813350 603638285 /nfs/dbraw/zinc/63/82/85/603638285.db2.gz OZADSVJDGULQQL-UHFFFAOYSA-N -1 0 373.373 -0.321 20 0 FBADRM Cc1nccc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)n1 ZINC000830813947 603552171 /nfs/dbraw/zinc/55/21/71/603552171.db2.gz WJJYWZPFYMLKIB-UHFFFAOYSA-N -1 0 369.403 -0.765 20 0 FBADRM CN(C)S(=O)(=O)CCC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830816027 661142330 /nfs/dbraw/zinc/14/23/30/661142330.db2.gz IYYUZAYRZCSKKJ-LLVKDONJSA-N -1 0 359.370 -0.063 20 0 FBADRM CN(C)S(=O)(=O)CCC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830816028 661142379 /nfs/dbraw/zinc/14/23/79/661142379.db2.gz IYYUZAYRZCSKKJ-NSHDSACASA-N -1 0 359.370 -0.063 20 0 FBADRM Cc1ncccc1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000830818270 603937842 /nfs/dbraw/zinc/93/78/42/603937842.db2.gz ITMWKXXJUOIBHZ-UHFFFAOYSA-N -1 0 368.415 -0.160 20 0 FBADRM CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830822637 661142221 /nfs/dbraw/zinc/14/22/21/661142221.db2.gz RDJITSKYBXJTOK-LLVKDONJSA-N -1 0 359.370 -0.016 20 0 FBADRM CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830822638 661142447 /nfs/dbraw/zinc/14/24/47/661142447.db2.gz RDJITSKYBXJTOK-NSHDSACASA-N -1 0 359.370 -0.016 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC000830823059 661142837 /nfs/dbraw/zinc/14/28/37/661142837.db2.gz SXQZEOOGXSPOSV-GFCCVEGCSA-N -1 0 350.297 -0.402 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC000830823070 661142593 /nfs/dbraw/zinc/14/25/93/661142593.db2.gz SXQZEOOGXSPOSV-LBPRGKRZSA-N -1 0 350.297 -0.402 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000830826794 661142794 /nfs/dbraw/zinc/14/27/94/661142794.db2.gz GRGIEYCTLYTPHB-LLVKDONJSA-N -1 0 357.354 -0.309 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000830826797 661142710 /nfs/dbraw/zinc/14/27/10/661142710.db2.gz GRGIEYCTLYTPHB-NSHDSACASA-N -1 0 357.354 -0.309 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000830827549 661142599 /nfs/dbraw/zinc/14/25/99/661142599.db2.gz MMVOVINYSVRSQH-GFCCVEGCSA-N -1 0 371.381 -0.614 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000830827551 661142773 /nfs/dbraw/zinc/14/27/73/661142773.db2.gz MMVOVINYSVRSQH-LBPRGKRZSA-N -1 0 371.381 -0.614 20 0 FBADRM Cc1ncsc1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000830829129 603551998 /nfs/dbraw/zinc/55/19/98/603551998.db2.gz HBBVIOFRYFWTTD-UHFFFAOYSA-N -1 0 374.444 -0.099 20 0 FBADRM Cc1ncoc1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000830829941 604060527 /nfs/dbraw/zinc/06/05/27/604060527.db2.gz RJDGYPAUNUSBGD-UHFFFAOYSA-N -1 0 358.376 -0.567 20 0 FBADRM CN(Cc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)cc1)C(=O)[O-] ZINC000830830394 601483247 /nfs/dbraw/zinc/48/32/47/601483247.db2.gz BKRCSSYTXPJMFM-BETUJISGSA-N -1 0 351.359 -0.311 20 0 FBADRM CN(Cc1ccc(NC(=O)C(=O)NCCS(N)(=O)=O)cc1)C(=O)[O-] ZINC000830830641 601140046 /nfs/dbraw/zinc/14/00/46/601140046.db2.gz KVRGYFPOFGNIJU-UHFFFAOYSA-N -1 0 358.376 -0.860 20 0 FBADRM CN(Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](CO)C2)cc1)C(=O)[O-] ZINC000830831121 601456124 /nfs/dbraw/zinc/45/61/24/601456124.db2.gz RKPPSGQAVQMAPS-CYBMUJFWSA-N -1 0 351.359 -0.045 20 0 FBADRM CN(Cc1ccc(NC(=O)C(=O)N2CCO[C@H](CO)C2)cc1)C(=O)[O-] ZINC000830831123 601456022 /nfs/dbraw/zinc/45/60/22/601456022.db2.gz RKPPSGQAVQMAPS-ZDUSSCGKSA-N -1 0 351.359 -0.045 20 0 FBADRM COCCS(=O)(=O)CC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830832768 661142645 /nfs/dbraw/zinc/14/26/45/661142645.db2.gz ILAJYCZDWSNOQG-LLVKDONJSA-N -1 0 360.354 -0.283 20 0 FBADRM COCCS(=O)(=O)CC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830832769 661142831 /nfs/dbraw/zinc/14/28/31/661142831.db2.gz ILAJYCZDWSNOQG-NSHDSACASA-N -1 0 360.354 -0.283 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC000830841108 661142703 /nfs/dbraw/zinc/14/27/03/661142703.db2.gz NPLYFJDNVZSOLF-CYBMUJFWSA-N -1 0 364.324 -0.012 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC000830841110 661142615 /nfs/dbraw/zinc/14/26/15/661142615.db2.gz NPLYFJDNVZSOLF-ZDUSSCGKSA-N -1 0 364.324 -0.012 20 0 FBADRM CN1CC(=O)N(CC(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)C1=O ZINC000830842149 661142809 /nfs/dbraw/zinc/14/28/09/661142809.db2.gz ZYLYYHXISVTZTM-GFCCVEGCSA-N -1 0 350.297 -0.450 20 0 FBADRM CN1CC(=O)N(CC(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)C1=O ZINC000830842150 661142801 /nfs/dbraw/zinc/14/28/01/661142801.db2.gz ZYLYYHXISVTZTM-LBPRGKRZSA-N -1 0 350.297 -0.450 20 0 FBADRM CN(Cc1cccc(C(N)=O)c1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000830844882 600720039 /nfs/dbraw/zinc/72/00/39/600720039.db2.gz LTBPAQDCGPVOCN-UHFFFAOYSA-N -1 0 352.372 -0.113 20 0 FBADRM Cc1nn(C)c(C)c1CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000830850871 604100395 /nfs/dbraw/zinc/10/03/95/604100395.db2.gz FRXLCHGPMUBKQA-UHFFFAOYSA-N -1 0 371.463 -0.153 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CCC(=O)NC(N)=O ZINC000830851728 661142827 /nfs/dbraw/zinc/14/28/27/661142827.db2.gz OMACMURWRJRRMV-LURJTMIESA-N -1 0 363.314 -0.625 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]CCC(=O)NC(N)=O ZINC000830851734 661142626 /nfs/dbraw/zinc/14/26/26/661142626.db2.gz OMACMURWRJRRMV-ZCFIWIBFSA-N -1 0 363.314 -0.625 20 0 FBADRM Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000830852360 603804096 /nfs/dbraw/zinc/80/40/96/603804096.db2.gz OHXODXQQAWCYCM-DZGCQCFKSA-N -1 0 365.434 -0.206 20 0 FBADRM Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000830852361 603803925 /nfs/dbraw/zinc/80/39/25/603803925.db2.gz OHXODXQQAWCYCM-HIFRSBDPSA-N -1 0 365.434 -0.206 20 0 FBADRM Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000830852362 603803797 /nfs/dbraw/zinc/80/37/97/603803797.db2.gz OHXODXQQAWCYCM-UKRRQHHQSA-N -1 0 365.434 -0.206 20 0 FBADRM Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000830852364 603803591 /nfs/dbraw/zinc/80/35/91/603803591.db2.gz OHXODXQQAWCYCM-ZFWWWQNUSA-N -1 0 365.434 -0.206 20 0 FBADRM CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000830853159 600716825 /nfs/dbraw/zinc/71/68/25/600716825.db2.gz YMBLNUTUNGVLIS-UHFFFAOYSA-N -1 0 366.399 -0.095 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OC[C@@H](C)NC(=O)[O-] ZINC000830855090 603675505 /nfs/dbraw/zinc/67/55/05/603675505.db2.gz FVAHQAIXPILORI-APPZFPTMSA-N -1 0 362.408 -0.097 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OC[C@H](C)NC(=O)[O-] ZINC000830855091 603675555 /nfs/dbraw/zinc/67/55/55/603675555.db2.gz FVAHQAIXPILORI-CBAPKCEASA-N -1 0 362.408 -0.097 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OC[C@H](C)NC(=O)[O-] ZINC000830855092 603675450 /nfs/dbraw/zinc/67/54/50/603675450.db2.gz FVAHQAIXPILORI-IONNQARKSA-N -1 0 362.408 -0.097 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OC[C@@H](C)NC(=O)[O-] ZINC000830855093 603675623 /nfs/dbraw/zinc/67/56/23/603675623.db2.gz FVAHQAIXPILORI-VXNVDRBHSA-N -1 0 362.408 -0.097 20 0 FBADRM Cc1nn(C)c(C)c1CNC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000830855094 604046323 /nfs/dbraw/zinc/04/63/23/604046323.db2.gz FWSVHBVWEQZWDU-UHFFFAOYSA-N -1 0 352.395 -0.342 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)O[C@@H]1CCN(C(=O)[O-])C1 ZINC000830855861 603675771 /nfs/dbraw/zinc/67/57/71/603675771.db2.gz JVTYEDDJGNMWTR-GXSJLCMTSA-N -1 0 374.419 -0.001 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)O[C@H]1CCN(C(=O)[O-])C1 ZINC000830855868 603675528 /nfs/dbraw/zinc/67/55/28/603675528.db2.gz JVTYEDDJGNMWTR-KOLCDFICSA-N -1 0 374.419 -0.001 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)O[C@@H]1CCN(C(=O)[O-])C1 ZINC000830855871 603675598 /nfs/dbraw/zinc/67/55/98/603675598.db2.gz JVTYEDDJGNMWTR-MWLCHTKSSA-N -1 0 374.419 -0.001 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)O[C@H]1CCN(C(=O)[O-])C1 ZINC000830855874 603675692 /nfs/dbraw/zinc/67/56/92/603675692.db2.gz JVTYEDDJGNMWTR-ONGXEEELSA-N -1 0 374.419 -0.001 20 0 FBADRM Cc1nn(C)c(C)c1OCC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000830856311 604034852 /nfs/dbraw/zinc/03/48/52/604034852.db2.gz MJOPLDMWFWCRGQ-UHFFFAOYSA-N -1 0 353.379 -0.646 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCCCNC(=O)[O-] ZINC000830856850 603673967 /nfs/dbraw/zinc/67/39/67/603673967.db2.gz PHHJVNLENZLADQ-SECBINFHSA-N -1 0 362.408 -0.095 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCCCNC(=O)[O-] ZINC000830856853 603674055 /nfs/dbraw/zinc/67/40/55/603674055.db2.gz PHHJVNLENZLADQ-VIFPVBQESA-N -1 0 362.408 -0.095 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCCN(C)C(=O)[O-] ZINC000830857519 603674311 /nfs/dbraw/zinc/67/43/11/603674311.db2.gz SZPPILPNIINTBN-SECBINFHSA-N -1 0 362.408 -0.143 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCCN(C)C(=O)[O-] ZINC000830857520 603673819 /nfs/dbraw/zinc/67/38/19/603673819.db2.gz SZPPILPNIINTBN-VIFPVBQESA-N -1 0 362.408 -0.143 20 0 FBADRM Cc1nn(C)c(C)c1OCC(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000830857815 604034668 /nfs/dbraw/zinc/03/46/68/604034668.db2.gz WMEGJBKCBNAKCZ-UHFFFAOYSA-N -1 0 367.406 -0.304 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OC1(C)CN(C(=O)[O-])C1 ZINC000830858012 603678129 /nfs/dbraw/zinc/67/81/29/603678129.db2.gz ZHKGFFWEZPVKPE-SECBINFHSA-N -1 0 374.419 -0.001 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OC1(C)CN(C(=O)[O-])C1 ZINC000830858013 603677853 /nfs/dbraw/zinc/67/78/53/603677853.db2.gz ZHKGFFWEZPVKPE-VIFPVBQESA-N -1 0 374.419 -0.001 20 0 FBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000830859000 604332682 /nfs/dbraw/zinc/33/26/82/604332682.db2.gz AHNIBYMEJWFRSO-SECBINFHSA-N -1 0 365.843 -0.046 20 0 FBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000830859016 604332737 /nfs/dbraw/zinc/33/27/37/604332737.db2.gz AHNIBYMEJWFRSO-VIFPVBQESA-N -1 0 365.843 -0.046 20 0 FBADRM Cc1nn(C)cc1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000830866588 603939948 /nfs/dbraw/zinc/93/99/48/603939948.db2.gz YJTVISMPBPSPPJ-UHFFFAOYSA-N -1 0 371.419 -0.822 20 0 FBADRM Cc1nnc([C@@H](C)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)o1 ZINC000830881011 603918125 /nfs/dbraw/zinc/91/81/25/603918125.db2.gz RRUANCVIFGGJFU-SECBINFHSA-N -1 0 359.408 -0.251 20 0 FBADRM Cc1nnc([C@H](C)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)o1 ZINC000830881014 603918025 /nfs/dbraw/zinc/91/80/25/603918025.db2.gz RRUANCVIFGGJFU-VIFPVBQESA-N -1 0 359.408 -0.251 20 0 FBADRM CN(c1ccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)cc1)S(C)(=O)=O ZINC000830882785 601284424 /nfs/dbraw/zinc/28/44/24/601284424.db2.gz DXIZFEWWDLJSQF-UHFFFAOYSA-N -1 0 367.387 -0.312 20 0 FBADRM CN(Cc1nnn(CCc2cn(CC(=O)[O-])nn2)n1)C(=O)c1ccccc1 ZINC000830884079 604788784 /nfs/dbraw/zinc/78/87/84/604788784.db2.gz ZQKKWPSQGRAUTE-UHFFFAOYSA-N -1 0 370.373 -0.136 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)NCC(C)(C)NC(=O)[O-])CC2)n1C ZINC000830887244 603455264 /nfs/dbraw/zinc/45/52/64/603455264.db2.gz DWJLQFQPZZJTFM-UHFFFAOYSA-N -1 0 353.427 -0.003 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)CC2)n1C ZINC000830887287 604947328 /nfs/dbraw/zinc/94/73/28/604947328.db2.gz FSFDVIVMYRKAMX-CYBMUJFWSA-N -1 0 366.422 -0.463 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)C[C@H]3CN(C(=O)[O-])CCO3)CC2)n1C ZINC000830887288 604947039 /nfs/dbraw/zinc/94/70/39/604947039.db2.gz FSFDVIVMYRKAMX-ZDUSSCGKSA-N -1 0 366.422 -0.463 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)[C@]3(F)CCN(C(=O)[O-])C3)CC2)n1C ZINC000830887313 603904919 /nfs/dbraw/zinc/90/49/19/603904919.db2.gz GSTKBRIUTZIONS-HNNXBMFYSA-N -1 0 354.386 -0.140 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)[C@@]3(F)CCN(C(=O)[O-])C3)CC2)n1C ZINC000830887314 603904625 /nfs/dbraw/zinc/90/46/25/603904625.db2.gz GSTKBRIUTZIONS-OAHLLOKOSA-N -1 0 354.386 -0.140 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)COC3CN(C(=O)[O-])C3)CC2)n1C ZINC000830887781 604014891 /nfs/dbraw/zinc/01/48/91/604014891.db2.gz SFWXLBCWCLARGN-UHFFFAOYSA-N -1 0 352.395 -0.853 20 0 FBADRM Cc1nnc(CN(C)CC(=O)N(C)CCN2CCN(C(=O)[O-])CC2)n1C ZINC000830887802 603754687 /nfs/dbraw/zinc/75/46/87/603754687.db2.gz SUXLSVDNVSCILO-UHFFFAOYSA-N -1 0 367.454 -0.691 20 0 FBADRM Cc1nnc(CN(C)CC(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)n1C ZINC000830887831 604680318 /nfs/dbraw/zinc/68/03/18/604680318.db2.gz UPLIWZGZRMTYAL-CMPLNLGQSA-N -1 0 354.411 -0.561 20 0 FBADRM Cc1nnc(CN(C)CC(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)n1C ZINC000830887832 604680279 /nfs/dbraw/zinc/68/02/79/604680279.db2.gz UPLIWZGZRMTYAL-JQWIXIFHSA-N -1 0 354.411 -0.561 20 0 FBADRM Cc1nnc(CN(C)CC(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)n1C ZINC000830887833 604680345 /nfs/dbraw/zinc/68/03/45/604680345.db2.gz UPLIWZGZRMTYAL-PWSUYJOCSA-N -1 0 354.411 -0.561 20 0 FBADRM Cc1nnc(CN(C)CC(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)n1C ZINC000830887834 604680313 /nfs/dbraw/zinc/68/03/13/604680313.db2.gz UPLIWZGZRMTYAL-ZYHUDNBSSA-N -1 0 354.411 -0.561 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)CC2)n1C ZINC000830887837 604947084 /nfs/dbraw/zinc/94/70/84/604947084.db2.gz UTQMOQPQUJYQSP-GFCCVEGCSA-N -1 0 352.395 -0.853 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)CC2)n1C ZINC000830887838 604947322 /nfs/dbraw/zinc/94/73/22/604947322.db2.gz UTQMOQPQUJYQSP-LBPRGKRZSA-N -1 0 352.395 -0.853 20 0 FBADRM CN(c1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000830888047 600675791 /nfs/dbraw/zinc/67/57/91/600675791.db2.gz CBPYOEBGGCIOCB-UHFFFAOYSA-N -1 0 374.400 -0.560 20 0 FBADRM Cc1nc(SCCC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000830893033 603686083 /nfs/dbraw/zinc/68/60/83/603686083.db2.gz IZXYACNOQZHPAI-UHFFFAOYSA-N -1 0 356.408 -0.466 20 0 FBADRM Cc1nc(SCCC(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000830894316 603684661 /nfs/dbraw/zinc/68/46/61/603684661.db2.gz SFHPBXQWAXCJNK-UHFFFAOYSA-N -1 0 370.435 -0.124 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)Nc2nc(CCCC(=O)[O-])cs2)C1=O ZINC000830894515 601746715 /nfs/dbraw/zinc/74/67/15/601746715.db2.gz LHKOFZZJEQHXMA-UHFFFAOYSA-N -1 0 354.344 -0.091 20 0 FBADRM Cc1noc([C@@H](C)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)n1 ZINC000830898462 603917917 /nfs/dbraw/zinc/91/79/17/603917917.db2.gz DCMLWBNTRVVBAI-SECBINFHSA-N -1 0 359.408 -0.251 20 0 FBADRM Cc1noc([C@H](C)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)n1 ZINC000830898463 603918228 /nfs/dbraw/zinc/91/82/28/603918228.db2.gz DCMLWBNTRVVBAI-VIFPVBQESA-N -1 0 359.408 -0.251 20 0 FBADRM Cc1nnnn1-c1ccc(F)c(NC(=O)COC(=O)CNC(=O)[O-])c1 ZINC000830898527 604650443 /nfs/dbraw/zinc/65/04/43/604650443.db2.gz FTHHSSVBLFDTJZ-UHFFFAOYSA-N -1 0 352.282 -0.141 20 0 FBADRM Cc1noc([C@H](C)N2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])CC2)n1 ZINC000830898934 603777169 /nfs/dbraw/zinc/77/71/69/603777169.db2.gz QIRPPNOHTSWNMJ-DLOVCJGASA-N -1 0 353.379 -0.304 20 0 FBADRM Cc1noc([C@H](C)N2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])CC2)n1 ZINC000830898935 603777507 /nfs/dbraw/zinc/77/75/07/603777507.db2.gz QIRPPNOHTSWNMJ-MVWJERBFSA-N -1 0 353.379 -0.304 20 0 FBADRM Cc1noc([C@H](C)N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])CC2)n1 ZINC000830898936 603777195 /nfs/dbraw/zinc/77/71/95/603777195.db2.gz QIRPPNOHTSWNMJ-WCQGTBRESA-N -1 0 353.379 -0.304 20 0 FBADRM Cc1noc([C@H](C)N2CCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])CC2)n1 ZINC000830898937 603777215 /nfs/dbraw/zinc/77/72/15/603777215.db2.gz QIRPPNOHTSWNMJ-ZMLRMANQSA-N -1 0 353.379 -0.304 20 0 FBADRM Cc1noc([C@H](C)N2CCN(C(=O)COC3CN(C(=O)[O-])C3)CC2)n1 ZINC000830898979 604005988 /nfs/dbraw/zinc/00/59/88/604005988.db2.gz RKVZATMURTWCSQ-JTQLQIEISA-N -1 0 353.379 -0.038 20 0 FBADRM Cc1noc([C@@H](C)N2CCN(C(=O)COC3CN(C(=O)[O-])C3)CC2)n1 ZINC000830898980 604005905 /nfs/dbraw/zinc/00/59/05/604005905.db2.gz RKVZATMURTWCSQ-SNVBAGLBSA-N -1 0 353.379 -0.038 20 0 FBADRM Cc1noc([C@H](C)N2CCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)CC2)n1 ZINC000830899229 604879157 /nfs/dbraw/zinc/87/91/57/604879157.db2.gz YAXODQWENGFIDU-CMPLNLGQSA-N -1 0 353.379 -0.038 20 0 FBADRM Cc1noc([C@H](C)N2CCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)CC2)n1 ZINC000830899230 604879041 /nfs/dbraw/zinc/87/90/41/604879041.db2.gz YAXODQWENGFIDU-JQWIXIFHSA-N -1 0 353.379 -0.038 20 0 FBADRM Cc1noc([C@@H](C)N2CCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)CC2)n1 ZINC000830899231 604878836 /nfs/dbraw/zinc/87/88/36/604878836.db2.gz YAXODQWENGFIDU-PWSUYJOCSA-N -1 0 353.379 -0.038 20 0 FBADRM Cc1noc([C@@H](C)N2CCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)CC2)n1 ZINC000830899232 604878887 /nfs/dbraw/zinc/87/88/87/604878887.db2.gz YAXODQWENGFIDU-ZYHUDNBSSA-N -1 0 353.379 -0.038 20 0 FBADRM CN1C(=O)COc2ccc(NC(=O)C(=O)NCCSCC(=O)[O-])cc21 ZINC000830902556 600889471 /nfs/dbraw/zinc/88/94/71/600889471.db2.gz VZZMTMFYXORFDN-UHFFFAOYSA-N -1 0 367.383 -0.086 20 0 FBADRM Cc1noc(C)c1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000830904376 603552085 /nfs/dbraw/zinc/55/20/85/603552085.db2.gz QBWQBCMQRNKFFP-UHFFFAOYSA-N -1 0 372.403 -0.259 20 0 FBADRM CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)Nc2ccn(CC(=O)[O-])n2)C1=O ZINC000830905532 601724825 /nfs/dbraw/zinc/72/48/25/601724825.db2.gz DJCYEBHLQZPITD-BJOHPYRUSA-N -1 0 364.362 -0.190 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)Nc2ccn(CC(=O)[O-])n2)C1=O ZINC000830905534 601724900 /nfs/dbraw/zinc/72/49/00/601724900.db2.gz DJCYEBHLQZPITD-PSLIRLAXSA-N -1 0 364.362 -0.190 20 0 FBADRM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)Nc2ccn(CC(=O)[O-])n2)C1=O ZINC000830905536 601724910 /nfs/dbraw/zinc/72/49/10/601724910.db2.gz DJCYEBHLQZPITD-RFAUZJTJSA-N -1 0 364.362 -0.190 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)Nc2ccn(CC(=O)[O-])n2)C1=O ZINC000830905538 601724789 /nfs/dbraw/zinc/72/47/89/601724789.db2.gz DJCYEBHLQZPITD-VFZGTOFNSA-N -1 0 364.362 -0.190 20 0 FBADRM CN1C(=O)c2ccc(C(=O)OCCc3cn(CC(=O)[O-])nn3)cc2C1=O ZINC000830906009 604703918 /nfs/dbraw/zinc/70/39/18/604703918.db2.gz GMUVEYWZLIDXDJ-UHFFFAOYSA-N -1 0 358.310 -0.012 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)N3CCO[C@H](CC(=O)[O-])C3)cc2C1=O ZINC000830906760 601398623 /nfs/dbraw/zinc/39/86/23/601398623.db2.gz KJISMQHEEYNDSL-SECBINFHSA-N -1 0 368.367 -0.223 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)N3CCO[C@@H](CC(=O)[O-])C3)cc2C1=O ZINC000830906779 601398850 /nfs/dbraw/zinc/39/88/50/601398850.db2.gz KJISMQHEEYNDSL-VIFPVBQESA-N -1 0 368.367 -0.223 20 0 FBADRM Cn1cc(S(=O)(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)cc1C(=O)[O-] ZINC000830907233 600777691 /nfs/dbraw/zinc/77/76/91/600777691.db2.gz MPURWHLJZSIDQN-CYBMUJFWSA-N -1 0 356.360 -0.962 20 0 FBADRM Cn1cc(S(=O)(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)cc1C(=O)[O-] ZINC000830907245 600777504 /nfs/dbraw/zinc/77/75/04/600777504.db2.gz MPURWHLJZSIDQN-ZDUSSCGKSA-N -1 0 356.360 -0.962 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1=O ZINC000830907700 601394710 /nfs/dbraw/zinc/39/47/10/601394710.db2.gz OXVSMYDQORVKMM-CLAHSXSESA-N -1 0 370.387 -0.288 20 0 FBADRM CN1C(=O)N[C@@]2(CCC[C@H]2CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1=O ZINC000830907706 601394788 /nfs/dbraw/zinc/39/47/88/601394788.db2.gz OXVSMYDQORVKMM-RMLUDKJBSA-N -1 0 370.387 -0.288 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1=O ZINC000830907710 601394605 /nfs/dbraw/zinc/39/46/05/601394605.db2.gz OXVSMYDQORVKMM-RTHLEPHNSA-N -1 0 370.387 -0.288 20 0 FBADRM CN1C(=O)N[C@@]2(CCC[C@@H]2CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1=O ZINC000830907713 601394819 /nfs/dbraw/zinc/39/48/19/601394819.db2.gz OXVSMYDQORVKMM-XLKFXECMSA-N -1 0 370.387 -0.288 20 0 FBADRM CN1C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@](F)(C(=O)[O-])C3)cc2C1=O ZINC000830907716 601482215 /nfs/dbraw/zinc/48/22/15/601482215.db2.gz PCTWOFYSALKXJG-INIZCTEOSA-N -1 0 363.301 -0.124 20 0 FBADRM CN1C(=O)c2ccc(NC(=O)C(=O)N3CC[C@](F)(C(=O)[O-])C3)cc2C1=O ZINC000830907722 601482146 /nfs/dbraw/zinc/48/21/46/601482146.db2.gz PCTWOFYSALKXJG-MRXNPFEDSA-N -1 0 363.301 -0.124 20 0 FBADRM CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NCCSCC(=O)[O-])C1=O ZINC000830908420 601416099 /nfs/dbraw/zinc/41/60/99/601416099.db2.gz UUVUPOWPJQPIJX-LKFCYVNXSA-N -1 0 358.420 -0.176 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NCCSCC(=O)[O-])C1=O ZINC000830908421 601416222 /nfs/dbraw/zinc/41/62/22/601416222.db2.gz UUVUPOWPJQPIJX-OTYXRUKQSA-N -1 0 358.420 -0.176 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCCSCC(=O)[O-])C1=O ZINC000830908422 601416110 /nfs/dbraw/zinc/41/61/10/601416110.db2.gz UUVUPOWPJQPIJX-XPTSAGLGSA-N -1 0 358.420 -0.176 20 0 FBADRM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NCCSCC(=O)[O-])C1=O ZINC000830908423 601416184 /nfs/dbraw/zinc/41/61/84/601416184.db2.gz UUVUPOWPJQPIJX-YMTOWFKASA-N -1 0 358.420 -0.176 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1=O ZINC000830908577 601780667 /nfs/dbraw/zinc/78/06/67/601780667.db2.gz XWOPDLPEMMFRGX-GDLVEWKHSA-N -1 0 368.390 -0.408 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1=O ZINC000830908580 601780713 /nfs/dbraw/zinc/78/07/13/601780713.db2.gz XWOPDLPEMMFRGX-MMPTUQATSA-N -1 0 368.390 -0.408 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)C1=O ZINC000830908582 601780672 /nfs/dbraw/zinc/78/06/72/601780672.db2.gz XWOPDLPEMMFRGX-USBNGQNGSA-N -1 0 368.390 -0.408 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)C1=O ZINC000830908584 601780650 /nfs/dbraw/zinc/78/06/50/601780650.db2.gz XWOPDLPEMMFRGX-UVWXRNBGSA-N -1 0 368.390 -0.408 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNS(=O)(=O)CC2(CC(=O)[O-])CC2)C1=O ZINC000830908612 601520221 /nfs/dbraw/zinc/52/02/21/601520221.db2.gz YIABHGBBNRLKEE-BMIGLBTASA-N -1 0 373.431 -0.119 20 0 FBADRM CN1C(=O)N[C@]2(CCC[C@H]2CNS(=O)(=O)CC2(CC(=O)[O-])CC2)C1=O ZINC000830908613 601520334 /nfs/dbraw/zinc/52/03/34/601520334.db2.gz YIABHGBBNRLKEE-BONVTDFDSA-N -1 0 373.431 -0.119 20 0 FBADRM CN1C(=O)N[C@@]2(CCC[C@@H]2CNS(=O)(=O)CC2(CC(=O)[O-])CC2)C1=O ZINC000830908615 601520202 /nfs/dbraw/zinc/52/02/02/601520202.db2.gz YIABHGBBNRLKEE-MEBBXXQBSA-N -1 0 373.431 -0.119 20 0 FBADRM CN1C(=O)N[C@@]2(CCC[C@H]2CNS(=O)(=O)CC2(CC(=O)[O-])CC2)C1=O ZINC000830908617 601520296 /nfs/dbraw/zinc/52/02/96/601520296.db2.gz YIABHGBBNRLKEE-ZUZCIYMTSA-N -1 0 373.431 -0.119 20 0 FBADRM CN1CC(=O)N(CC(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)C1=O ZINC000830913397 602251689 /nfs/dbraw/zinc/25/16/89/602251689.db2.gz ORDVCCBUVSEYSE-UHFFFAOYSA-N -1 0 369.355 -0.379 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000830913694 604423150 /nfs/dbraw/zinc/42/31/50/604423150.db2.gz IWHWTQQKDIXNPV-UHFFFAOYSA-N -1 0 372.403 -0.075 20 0 FBADRM CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1=O ZINC000830913703 601583052 /nfs/dbraw/zinc/58/30/52/601583052.db2.gz VAUINFWLBSPCJB-GHMZBOCLSA-N -1 0 374.353 -0.161 20 0 FBADRM CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1=O ZINC000830913714 601583129 /nfs/dbraw/zinc/58/31/29/601583129.db2.gz VAUINFWLBSPCJB-MNOVXSKESA-N -1 0 374.353 -0.161 20 0 FBADRM CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1=O ZINC000830913720 601582929 /nfs/dbraw/zinc/58/29/29/601582929.db2.gz VAUINFWLBSPCJB-QWRGUYRKSA-N -1 0 374.353 -0.161 20 0 FBADRM CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1=O ZINC000830913723 601582968 /nfs/dbraw/zinc/58/29/68/601582968.db2.gz VAUINFWLBSPCJB-WDEREUQCSA-N -1 0 374.353 -0.161 20 0 FBADRM CN1C[C@H](C(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)CC1=O ZINC000830913782 601991741 /nfs/dbraw/zinc/99/17/41/601991741.db2.gz WFTDTYCKQXIKIS-CYBMUJFWSA-N -1 0 368.411 -0.220 20 0 FBADRM CN1C[C@@H](C(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)CC1=O ZINC000830913787 601991641 /nfs/dbraw/zinc/99/16/41/601991641.db2.gz WFTDTYCKQXIKIS-ZDUSSCGKSA-N -1 0 368.411 -0.220 20 0 FBADRM CN1CCC(=O)Nc2cc(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])ccc21 ZINC000830918328 600887183 /nfs/dbraw/zinc/88/71/83/600887183.db2.gz WFKBGOHTOXJWRP-CYBMUJFWSA-N -1 0 360.370 -0.120 20 0 FBADRM CN1CCC(=O)Nc2cc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])ccc21 ZINC000830918336 600887143 /nfs/dbraw/zinc/88/71/43/600887143.db2.gz WFKBGOHTOXJWRP-ZDUSSCGKSA-N -1 0 360.370 -0.120 20 0 FBADRM Cc1noc(CCCN2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)n1 ZINC000830920354 604424970 /nfs/dbraw/zinc/42/49/70/604424970.db2.gz KGDCFAMNRSVACJ-UHFFFAOYSA-N -1 0 373.435 -0.380 20 0 FBADRM Cc1nsc(N2CCCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])CC2)n1 ZINC000830929513 603861208 /nfs/dbraw/zinc/86/12/08/603861208.db2.gz GOPVZXXOAZEFPB-GHMZBOCLSA-N -1 0 355.420 -0.002 20 0 FBADRM Cc1nsc(N2CCCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])CC2)n1 ZINC000830929514 603861390 /nfs/dbraw/zinc/86/13/90/603861390.db2.gz GOPVZXXOAZEFPB-MNOVXSKESA-N -1 0 355.420 -0.002 20 0 FBADRM Cc1nsc(N2CCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])CC2)n1 ZINC000830929516 603861337 /nfs/dbraw/zinc/86/13/37/603861337.db2.gz GOPVZXXOAZEFPB-QWRGUYRKSA-N -1 0 355.420 -0.002 20 0 FBADRM Cc1nsc(N2CCCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])CC2)n1 ZINC000830929518 603861424 /nfs/dbraw/zinc/86/14/24/603861424.db2.gz GOPVZXXOAZEFPB-WDEREUQCSA-N -1 0 355.420 -0.002 20 0 FBADRM Cc1nsc(N2CCN(C(=O)CN3CCN(C(=O)[O-])CC3=O)CC2)n1 ZINC000830930449 603842037 /nfs/dbraw/zinc/84/20/37/603842037.db2.gz RZNMIRMHGBTOFM-UHFFFAOYSA-N -1 0 368.419 -0.683 20 0 FBADRM C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2c[n-]c(C(=O)[O-])c2)CC1 ZINC000830934990 602221709 /nfs/dbraw/zinc/22/17/09/602221709.db2.gz NSAURTHWKUEXPY-CYBMUJFWSA-N -1 0 370.431 -0.360 20 0 FBADRM C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2c[n-]c(C(=O)[O-])c2)CC1 ZINC000830934991 602221725 /nfs/dbraw/zinc/22/17/25/602221725.db2.gz NSAURTHWKUEXPY-ZDUSSCGKSA-N -1 0 370.431 -0.360 20 0 FBADRM CN1CCC[C@H](NC(=O)C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)C1=O ZINC000830935457 601197443 /nfs/dbraw/zinc/19/74/43/601197443.db2.gz ZLQURWLQAMWJGS-GWCFXTLKSA-N -1 0 361.354 -0.398 20 0 FBADRM CN1CCC[C@H](NC(=O)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)C1=O ZINC000830935461 601197501 /nfs/dbraw/zinc/19/75/01/601197501.db2.gz ZLQURWLQAMWJGS-GXFFZTMASA-N -1 0 361.354 -0.398 20 0 FBADRM CN1CCC[C@@H](NC(=O)C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)C1=O ZINC000830935464 601197477 /nfs/dbraw/zinc/19/74/77/601197477.db2.gz ZLQURWLQAMWJGS-MFKMUULPSA-N -1 0 361.354 -0.398 20 0 FBADRM CN1CCC[C@@H](NC(=O)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)C1=O ZINC000830935467 601197539 /nfs/dbraw/zinc/19/75/39/601197539.db2.gz ZLQURWLQAMWJGS-ZWNOBZJWSA-N -1 0 361.354 -0.398 20 0 FBADRM Cc1oc(C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)cc1S(N)(=O)=O ZINC000830941995 604680416 /nfs/dbraw/zinc/68/04/16/604680416.db2.gz ATVSISCGOIALDW-GMSGAONNSA-N -1 0 361.376 -0.267 20 0 FBADRM Cc1oc(C(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)cc1S(N)(=O)=O ZINC000830941997 604680398 /nfs/dbraw/zinc/68/03/98/604680398.db2.gz ATVSISCGOIALDW-OIBJUYFYSA-N -1 0 361.376 -0.267 20 0 FBADRM Cc1oc(C(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)cc1S(N)(=O)=O ZINC000830941999 604680260 /nfs/dbraw/zinc/68/02/60/604680260.db2.gz ATVSISCGOIALDW-XCBNKYQSSA-N -1 0 361.376 -0.267 20 0 FBADRM Cc1oc(C(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)cc1S(N)(=O)=O ZINC000830942000 604680272 /nfs/dbraw/zinc/68/02/72/604680272.db2.gz ATVSISCGOIALDW-XVKPBYJWSA-N -1 0 361.376 -0.267 20 0 FBADRM Cc1oc(C(=O)N(C)CCN2CCN(C(=O)[O-])CC2)cc1S(N)(=O)=O ZINC000830942187 603531018 /nfs/dbraw/zinc/53/10/18/603531018.db2.gz FJTPQPPFVNXSQG-UHFFFAOYSA-N -1 0 374.419 -0.397 20 0 FBADRM Cc1oc(C(=O)NCCCN2CCN(C(=O)[O-])CC2)cc1S(N)(=O)=O ZINC000830942606 603529384 /nfs/dbraw/zinc/52/93/84/603529384.db2.gz NUOYQBIHTKRVLB-UHFFFAOYSA-N -1 0 374.419 -0.349 20 0 FBADRM Cc1oc(C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])cc1S(N)(=O)=O ZINC000830942835 604408424 /nfs/dbraw/zinc/40/84/24/604408424.db2.gz PVPRLKUTRDYLMT-SECBINFHSA-N -1 0 360.392 -0.741 20 0 FBADRM Cc1oc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])cc1S(N)(=O)=O ZINC000830942838 604408161 /nfs/dbraw/zinc/40/81/61/604408161.db2.gz PVPRLKUTRDYLMT-VIFPVBQESA-N -1 0 360.392 -0.741 20 0 FBADRM Cc1oc(C(=O)NCCN2CCN(C(=O)[O-])CC2)cc1S(N)(=O)=O ZINC000830942851 603531215 /nfs/dbraw/zinc/53/12/15/603531215.db2.gz QFUGDCCLQLOWSB-UHFFFAOYSA-N -1 0 360.392 -0.739 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)C(=O)Nc2sccc2C(=O)[O-])CC1 ZINC000830945856 600875611 /nfs/dbraw/zinc/87/56/11/600875611.db2.gz BJHVJTGCMKOCHY-UHFFFAOYSA-N -1 0 368.415 -0.335 20 0 FBADRM CN1CCN(C(=O)CCNS(=O)(=O)c2csc(C(=O)[O-])c2)CC1 ZINC000830946223 600714177 /nfs/dbraw/zinc/71/41/77/600714177.db2.gz ISFJGFQPDYMPKQ-UHFFFAOYSA-N -1 0 361.445 -0.111 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000830946457 604502572 /nfs/dbraw/zinc/50/25/72/604502572.db2.gz NQRGVXWQHMUCRL-UHFFFAOYSA-N -1 0 368.415 -0.335 20 0 FBADRM Cn1cc(S(=O)(=O)NCCC(=O)N2CCN(C)CC2)cc1C(=O)[O-] ZINC000830946697 600772271 /nfs/dbraw/zinc/77/22/71/600772271.db2.gz UKAXQVOCANDGAE-UHFFFAOYSA-N -1 0 358.420 -0.834 20 0 FBADRM C[NH+]1CCN(C[C@@H]2CN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)CCO2)CC1 ZINC000830949645 600745550 /nfs/dbraw/zinc/74/55/50/600745550.db2.gz FHOJNWOVZAAOTK-GFCCVEGCSA-N -1 0 372.447 -0.650 20 0 FBADRM C[NH+]1CCN(C[C@H]2CN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)CCO2)CC1 ZINC000830949648 600745346 /nfs/dbraw/zinc/74/53/46/600745346.db2.gz FHOJNWOVZAAOTK-LBPRGKRZSA-N -1 0 372.447 -0.650 20 0 FBADRM CN1CCN(CC(=O)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000830949891 601111554 /nfs/dbraw/zinc/11/15/54/601111554.db2.gz HNVGWYXWOUUWRB-GFCCVEGCSA-N -1 0 366.443 -0.085 20 0 FBADRM CN1CCN(CC(=O)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000830949896 601111745 /nfs/dbraw/zinc/11/17/45/601111745.db2.gz HNVGWYXWOUUWRB-LBPRGKRZSA-N -1 0 366.443 -0.085 20 0 FBADRM Cc1ocnc1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000830952224 603939818 /nfs/dbraw/zinc/93/98/18/603939818.db2.gz FHNOTGIFZJGOPM-UHFFFAOYSA-N -1 0 358.376 -0.567 20 0 FBADRM CN1CCO[C@H](C(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)C1 ZINC000830959890 601990586 /nfs/dbraw/zinc/99/05/86/601990586.db2.gz CJNBRZJTRSNRIZ-AWEZNQCLSA-N -1 0 370.427 -0.367 20 0 FBADRM CN1CCO[C@@H](C(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)C1 ZINC000830959904 601990520 /nfs/dbraw/zinc/99/05/20/601990520.db2.gz CJNBRZJTRSNRIZ-CQSZACIVSA-N -1 0 370.427 -0.367 20 0 FBADRM CN1CCO[C@@H](C(=O)Nc2cccc(S(=O)(=O)NCC(=O)[O-])c2)C1 ZINC000830960128 600892319 /nfs/dbraw/zinc/89/23/19/600892319.db2.gz GZVGTSDBKAJNSL-GFCCVEGCSA-N -1 0 357.388 -0.681 20 0 FBADRM CN1CCO[C@H](C(=O)Nc2cccc(S(=O)(=O)NCC(=O)[O-])c2)C1 ZINC000830960129 600892386 /nfs/dbraw/zinc/89/23/86/600892386.db2.gz GZVGTSDBKAJNSL-LBPRGKRZSA-N -1 0 357.388 -0.681 20 0 FBADRM CN1CCO[C@@H](C(=O)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000830960337 601111570 /nfs/dbraw/zinc/11/15/70/601111570.db2.gz KMQUPRJNWSWGOV-GHMZBOCLSA-N -1 0 353.400 -0.002 20 0 FBADRM CN1CCO[C@H](C(=O)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000830960338 601111680 /nfs/dbraw/zinc/11/16/80/601111680.db2.gz KMQUPRJNWSWGOV-MNOVXSKESA-N -1 0 353.400 -0.002 20 0 FBADRM CN1CCO[C@H](C(=O)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000830960339 601111616 /nfs/dbraw/zinc/11/16/16/601111616.db2.gz KMQUPRJNWSWGOV-QWRGUYRKSA-N -1 0 353.400 -0.002 20 0 FBADRM CN1CCO[C@@H](C(=O)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000830960340 601111664 /nfs/dbraw/zinc/11/16/64/601111664.db2.gz KMQUPRJNWSWGOV-WDEREUQCSA-N -1 0 353.400 -0.002 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)NCC(C)(C)NC(=O)[O-])cnc2n(C)c1=O ZINC000830962844 603459698 /nfs/dbraw/zinc/45/96/98/603459698.db2.gz BCTRPTKOEWXDCE-UHFFFAOYSA-N -1 0 364.362 -0.200 20 0 FBADRM Cn1c(=O)[nH]cc(C(=O)Nc2ccc(N3CCN(C(=O)[O-])CC3)cn2)c1=O ZINC000830962856 603594794 /nfs/dbraw/zinc/59/47/94/603594794.db2.gz BUGKFJHAMBRSFK-UHFFFAOYSA-N -1 0 374.357 -0.067 20 0 FBADRM Cn1c2[nH]c(CCC(=O)N3CCC[C@@H]3CNC(=O)[O-])nc2c(=O)[nH]c1=O ZINC000830962868 603127483 /nfs/dbraw/zinc/12/74/83/603127483.db2.gz CFDKUCUZFLSMAB-MRVPVSSYSA-N -1 0 364.362 -0.447 20 0 FBADRM Cn1c2[nH]c(CCC(=O)N3CCC[C@H]3CNC(=O)[O-])nc2c(=O)[nH]c1=O ZINC000830962869 603127201 /nfs/dbraw/zinc/12/72/01/603127201.db2.gz CFDKUCUZFLSMAB-QMMMGPOBSA-N -1 0 364.362 -0.447 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)[C@@]3(C)CCN(C(=O)[O-])C3)cnc2n(C)c1=O ZINC000830962877 603870287 /nfs/dbraw/zinc/87/02/87/603870287.db2.gz CLYYCDKCCGGKBA-INIZCTEOSA-N -1 0 361.358 -0.039 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)[C@]3(C)CCN(C(=O)[O-])C3)cnc2n(C)c1=O ZINC000830962878 603870396 /nfs/dbraw/zinc/87/03/96/603870396.db2.gz CLYYCDKCCGGKBA-MRXNPFEDSA-N -1 0 361.358 -0.039 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)[C@]3(F)CCN(C(=O)[O-])C3)cnc2n(C)c1=O ZINC000830962880 603972165 /nfs/dbraw/zinc/97/21/65/603972165.db2.gz CNVVVEYXUKYSCS-HNNXBMFYSA-N -1 0 365.321 -0.337 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)[C@@]3(F)CCN(C(=O)[O-])C3)cnc2n(C)c1=O ZINC000830962881 603971996 /nfs/dbraw/zinc/97/19/96/603971996.db2.gz CNVVVEYXUKYSCS-OAHLLOKOSA-N -1 0 365.321 -0.337 20 0 FBADRM Cn1c(C(=O)OC[C@@H]2CCN(C(=O)[O-])C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000830962886 603782840 /nfs/dbraw/zinc/78/28/40/603782840.db2.gz CZIJRBDGLBTBML-SECBINFHSA-N -1 0 364.358 -0.268 20 0 FBADRM Cn1c(C(=O)OC[C@H]2CCN(C(=O)[O-])C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000830962887 603782893 /nfs/dbraw/zinc/78/28/93/603782893.db2.gz CZIJRBDGLBTBML-VIFPVBQESA-N -1 0 364.358 -0.268 20 0 FBADRM Cn1c2[nH]c(CCC(=O)NCC(C)(C)NC(=O)[O-])nc2c(=O)[nH]c1=O ZINC000830962892 603667835 /nfs/dbraw/zinc/66/78/35/603667835.db2.gz DEMZZAHQUNHIEH-UHFFFAOYSA-N -1 0 352.351 -0.543 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCC(C)(C)NC(=O)[O-])cnc21 ZINC000830963181 603472708 /nfs/dbraw/zinc/47/27/08/603472708.db2.gz HEIFFBATLCCHSO-UHFFFAOYSA-N -1 0 371.375 -0.641 20 0 FBADRM Cn1c2[nH]c(CCC(=O)OC3(C)CN(C(=O)[O-])C3)nc2c(=O)[nH]c1=O ZINC000830963198 604223881 /nfs/dbraw/zinc/22/38/81/604223881.db2.gz HZTFTKGPDRJAIZ-UHFFFAOYSA-N -1 0 351.319 -0.410 20 0 FBADRM Cn1c2[nH]c(CCC(=O)O[C@@H]3CCCN(C(=O)[O-])C3)nc2c(=O)[nH]c1=O ZINC000830963423 604187414 /nfs/dbraw/zinc/18/74/14/604187414.db2.gz ILPPJTFBWFRDCL-MRVPVSSYSA-N -1 0 365.346 -0.020 20 0 FBADRM Cn1c2[nH]c(CCC(=O)O[C@H]3CCCN(C(=O)[O-])C3)nc2c(=O)[nH]c1=O ZINC000830963428 605958195 /nfs/dbraw/zinc/95/81/95/605958195.db2.gz ILPPJTFBWFRDCL-QMMMGPOBSA-N -1 0 365.346 -0.020 20 0 FBADRM Cn1c(=O)c2cc(C(=O)OC[C@@H]3CCCN3C(=O)[O-])cnc2n(C)c1=O ZINC000830963543 604226682 /nfs/dbraw/zinc/22/66/82/604226682.db2.gz JQCOKNIQGZIGKJ-JTQLQIEISA-N -1 0 362.342 -0.069 20 0 FBADRM Cn1c(=O)c2cc(C(=O)OC[C@H]3CCCN3C(=O)[O-])cnc2n(C)c1=O ZINC000830963547 604226356 /nfs/dbraw/zinc/22/63/56/604226356.db2.gz JQCOKNIQGZIGKJ-SNVBAGLBSA-N -1 0 362.342 -0.069 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)CN(CC3CC3)C(=O)[O-])cnc2n(C)c1=O ZINC000830964418 603267549 /nfs/dbraw/zinc/26/75/49/603267549.db2.gz RFARSAXJYOQLDW-UHFFFAOYSA-N -1 0 361.358 -0.039 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)O[C@H]3CN(C(=O)[O-])CCC3=O)cnc21 ZINC000830964449 604226439 /nfs/dbraw/zinc/22/64/39/604226439.db2.gz RSASPDPODDSHJP-JTQLQIEISA-N -1 0 362.298 -0.488 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)O[C@@H]3CN(C(=O)[O-])CCC3=O)cnc21 ZINC000830964453 604226535 /nfs/dbraw/zinc/22/65/35/604226535.db2.gz RSASPDPODDSHJP-SNVBAGLBSA-N -1 0 362.298 -0.488 20 0 FBADRM Cn1c(=O)[nH]cc(C(=O)N2CCC(OCCCNC(=O)[O-])CC2)c1=O ZINC000830964496 603595631 /nfs/dbraw/zinc/59/56/31/603595631.db2.gz SVCGPXLBGZFXBW-UHFFFAOYSA-N -1 0 354.363 -0.235 20 0 FBADRM Cn1c2[nH]c(CCC(=O)O[C@@H]3CCN(C(=O)[O-])C3)nc2c(=O)[nH]c1=O ZINC000830964503 604189093 /nfs/dbraw/zinc/18/90/93/604189093.db2.gz SZSZOKCSSKLKCS-SSDOTTSWSA-N -1 0 351.319 -0.410 20 0 FBADRM CN1CCO[C@H]2CN(C(=O)C(=O)Nc3cccc(OCC(=O)[O-])c3)C[C@@H]21 ZINC000830964565 602268969 /nfs/dbraw/zinc/26/89/69/602268969.db2.gz KZISONIQFAZHCK-KBPBESRZSA-N -1 0 363.370 -0.370 20 0 FBADRM CN1CCO[C@H]2CN(C(=O)C(=O)Nc3cccc(OCC(=O)[O-])c3)C[C@H]21 ZINC000830964567 602269493 /nfs/dbraw/zinc/26/94/93/602269493.db2.gz KZISONIQFAZHCK-KGLIPLIRSA-N -1 0 363.370 -0.370 20 0 FBADRM CN1CCO[C@@H]2CN(C(=O)C(=O)Nc3cccc(OCC(=O)[O-])c3)C[C@@H]21 ZINC000830964569 602269359 /nfs/dbraw/zinc/26/93/59/602269359.db2.gz KZISONIQFAZHCK-UONOGXRCSA-N -1 0 363.370 -0.370 20 0 FBADRM CN1CCO[C@@H]2CN(C(=O)C(=O)Nc3cccc(OCC(=O)[O-])c3)C[C@H]21 ZINC000830964571 602269470 /nfs/dbraw/zinc/26/94/70/602269470.db2.gz KZISONIQFAZHCK-ZIAGYGMSSA-N -1 0 363.370 -0.370 20 0 FBADRM Cn1c2ncn(CCC(=O)OC3(C)CN(C(=O)[O-])C3)c2c(=O)n(C)c1=O ZINC000830964773 604222249 /nfs/dbraw/zinc/22/22/49/604222249.db2.gz WGIHGAGPRDLISA-UHFFFAOYSA-N -1 0 365.346 -0.881 20 0 FBADRM Cn1c(=O)c2cc(C(=O)N3CCC[C@H]3CNC(=O)[O-])cnc2n(C)c1=O ZINC000830964775 603111798 /nfs/dbraw/zinc/11/17/98/603111798.db2.gz WKGWPPPSZUJYRB-JTQLQIEISA-N -1 0 361.358 -0.496 20 0 FBADRM Cn1c(=O)c2cc(C(=O)N3CCC[C@@H]3CNC(=O)[O-])cnc2n(C)c1=O ZINC000830964776 603111772 /nfs/dbraw/zinc/11/17/72/603111772.db2.gz WKGWPPPSZUJYRB-SNVBAGLBSA-N -1 0 361.358 -0.496 20 0 FBADRM Cn1c2ncn(CCOC(=O)C(C)(C)CNC(=O)[O-])c2c(=O)n(C)c1=O ZINC000830964788 603750153 /nfs/dbraw/zinc/75/01/53/603750153.db2.gz XIMVODZMYXCJJE-UHFFFAOYSA-N -1 0 367.362 -0.729 20 0 FBADRM Cn1c(C(=O)NCC(C)(C)NC(=O)[O-])cc2c1n(C)c(=O)n(C)c2=O ZINC000830964803 603673608 /nfs/dbraw/zinc/67/36/08/603673608.db2.gz XVGHXLJLYLTHHQ-UHFFFAOYSA-N -1 0 351.363 -0.648 20 0 FBADRM Cn1c(C(=O)N2CCC[C@@H]2CNC(=O)[O-])cc2c1n(C)c(=O)n(C)c2=O ZINC000830964807 603134869 /nfs/dbraw/zinc/13/48/69/603134869.db2.gz XWPDKJQSYQAJIU-SECBINFHSA-N -1 0 363.374 -0.552 20 0 FBADRM Cn1c(C(=O)N2CCC[C@H]2CNC(=O)[O-])cc2c1n(C)c(=O)n(C)c2=O ZINC000830964808 603135129 /nfs/dbraw/zinc/13/51/29/603135129.db2.gz XWPDKJQSYQAJIU-VIFPVBQESA-N -1 0 363.374 -0.552 20 0 FBADRM CN1CCO[C@H]2CN(S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)C[C@@H]21 ZINC000830964816 602175970 /nfs/dbraw/zinc/17/59/70/602175970.db2.gz MAMQQVIVVZNUDO-KBPBESRZSA-N -1 0 356.400 -0.147 20 0 FBADRM CN1CCO[C@H]2CN(S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)C[C@H]21 ZINC000830964818 602175889 /nfs/dbraw/zinc/17/58/89/602175889.db2.gz MAMQQVIVVZNUDO-KGLIPLIRSA-N -1 0 356.400 -0.147 20 0 FBADRM CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)C[C@@H]21 ZINC000830964819 602175898 /nfs/dbraw/zinc/17/58/98/602175898.db2.gz MAMQQVIVVZNUDO-UONOGXRCSA-N -1 0 356.400 -0.147 20 0 FBADRM CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)C[C@H]21 ZINC000830964820 602176211 /nfs/dbraw/zinc/17/62/11/602176211.db2.gz MAMQQVIVVZNUDO-ZIAGYGMSSA-N -1 0 356.400 -0.147 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)NC(C)(C)CNC(=O)[O-])cnc2n(C)c1=O ZINC000830965040 604390341 /nfs/dbraw/zinc/39/03/41/604390341.db2.gz YMCBNNDOZRNPLC-UHFFFAOYSA-N -1 0 364.362 -0.200 20 0 FBADRM CN1CCO[C@H]2CN(C(=O)C(=O)Nc3ccc(OCC(=O)[O-])cc3)C[C@@H]21 ZINC000830965134 602269880 /nfs/dbraw/zinc/26/98/80/602269880.db2.gz PALPXDAXIAZUGS-KBPBESRZSA-N -1 0 363.370 -0.370 20 0 FBADRM CN1CCO[C@H]2CN(C(=O)C(=O)Nc3ccc(OCC(=O)[O-])cc3)C[C@H]21 ZINC000830965136 602269776 /nfs/dbraw/zinc/26/97/76/602269776.db2.gz PALPXDAXIAZUGS-KGLIPLIRSA-N -1 0 363.370 -0.370 20 0 FBADRM CN1CCO[C@@H]2CN(C(=O)C(=O)Nc3ccc(OCC(=O)[O-])cc3)C[C@@H]21 ZINC000830965138 602269781 /nfs/dbraw/zinc/26/97/81/602269781.db2.gz PALPXDAXIAZUGS-UONOGXRCSA-N -1 0 363.370 -0.370 20 0 FBADRM CN1CCO[C@@H]2CN(C(=O)C(=O)Nc3ccc(OCC(=O)[O-])cc3)C[C@H]21 ZINC000830965140 602269866 /nfs/dbraw/zinc/26/98/66/602269866.db2.gz PALPXDAXIAZUGS-ZIAGYGMSSA-N -1 0 363.370 -0.370 20 0 FBADRM CN1CCO[C@H]2CN(C(=O)C(=O)Nc3ccc(CNC(=O)[O-])cc3)C[C@@H]21 ZINC000830966023 602269813 /nfs/dbraw/zinc/26/98/13/602269813.db2.gz WCDASVUDBDJIBM-KBPBESRZSA-N -1 0 362.386 -0.066 20 0 FBADRM CN1CCO[C@H]2CN(C(=O)C(=O)Nc3ccc(CNC(=O)[O-])cc3)C[C@H]21 ZINC000830966025 602269907 /nfs/dbraw/zinc/26/99/07/602269907.db2.gz WCDASVUDBDJIBM-KGLIPLIRSA-N -1 0 362.386 -0.066 20 0 FBADRM CN1CCO[C@@H]2CN(C(=O)C(=O)Nc3ccc(CNC(=O)[O-])cc3)C[C@@H]21 ZINC000830966027 602269794 /nfs/dbraw/zinc/26/97/94/602269794.db2.gz WCDASVUDBDJIBM-UONOGXRCSA-N -1 0 362.386 -0.066 20 0 FBADRM CN1CCO[C@@H]2CN(C(=O)C(=O)Nc3ccc(CNC(=O)[O-])cc3)C[C@H]21 ZINC000830966029 602269807 /nfs/dbraw/zinc/26/98/07/602269807.db2.gz WCDASVUDBDJIBM-ZIAGYGMSSA-N -1 0 362.386 -0.066 20 0 FBADRM CN1CCc2ccc(S(=O)(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])cc21 ZINC000830968385 601832244 /nfs/dbraw/zinc/83/22/44/601832244.db2.gz BJNPLAAINUVQSF-CYBMUJFWSA-N -1 0 353.400 -0.357 20 0 FBADRM CN1CCc2ccc(S(=O)(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])cc21 ZINC000830968386 601832546 /nfs/dbraw/zinc/83/25/46/601832546.db2.gz BJNPLAAINUVQSF-ZDUSSCGKSA-N -1 0 353.400 -0.357 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3CNC(=O)[O-])nc2n(C)c1=O ZINC000830968496 603121953 /nfs/dbraw/zinc/12/19/53/603121953.db2.gz FGOFGPVVVNQERH-SECBINFHSA-N -1 0 361.358 -0.496 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N3CCC[C@H]3CNC(=O)[O-])nc2n(C)c1=O ZINC000830968497 603122217 /nfs/dbraw/zinc/12/22/17/603122217.db2.gz FGOFGPVVVNQERH-VIFPVBQESA-N -1 0 361.358 -0.496 20 0 FBADRM Cn1c2nnc(Cn3nnnc3CNC(=O)[O-])n2c2ccsc2c1=O ZINC000830968719 604031312 /nfs/dbraw/zinc/03/13/12/604031312.db2.gz JENGPUKZCQUWFP-UHFFFAOYSA-N -1 0 361.347 -0.555 20 0 FBADRM Cn1c2[nH]c(CN3CC[C@H]4CC[C@@H](C3)N4C(=O)[O-])nc2c(=O)n(C)c1=O ZINC000830968738 603978586 /nfs/dbraw/zinc/97/85/86/603978586.db2.gz JJNBLDHSJACGNV-ZJUUUORDSA-N -1 0 362.390 -0.323 20 0 FBADRM Cn1c(=O)ccn(CC(=O)N2CCC(OCCCNC(=O)[O-])CC2)c1=O ZINC000830968800 604070332 /nfs/dbraw/zinc/07/03/32/604070332.db2.gz KYJMVXVCCLFFDT-UHFFFAOYSA-N -1 0 368.390 -0.788 20 0 FBADRM Cn1c2ccc(NC(=O)CCC(=O)NCCNC(=O)[O-])nc2n(C)c1=O ZINC000830969027 605875668 /nfs/dbraw/zinc/87/56/68/605875668.db2.gz OIYUOGJLPLHCEW-UHFFFAOYSA-N -1 0 364.362 -0.626 20 0 FBADRM Cn1c2ccc(NC(=O)C(=O)NCC(C)(C)NC(=O)[O-])cc2n(C)c1=O ZINC000830969082 603614669 /nfs/dbraw/zinc/61/46/69/603614669.db2.gz PMZBSTGJCBKIKW-UHFFFAOYSA-N -1 0 363.374 -0.022 20 0 FBADRM Cn1c2nnc(Cn3nnnc3CNC(=O)[O-])n2c2ccccc2c1=O ZINC000830969250 604030054 /nfs/dbraw/zinc/03/00/54/604030054.db2.gz RZBFQTMXHLUYNT-UHFFFAOYSA-N -1 0 355.318 -0.616 20 0 FBADRM Cn1c(=O)ccn(CC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)c1=O ZINC000830969748 604249108 /nfs/dbraw/zinc/24/91/08/604249108.db2.gz YIGGPRASKVSEHM-UHFFFAOYSA-N -1 0 364.402 -0.072 20 0 FBADRM Cn1c(=O)cc(COC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)n(C)c1=O ZINC000830973855 605342004 /nfs/dbraw/zinc/34/20/04/605342004.db2.gz AAVKBVDQKZNURB-LLVKDONJSA-N -1 0 355.347 -0.714 20 0 FBADRM Cn1c(=O)cc(COC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)n(C)c1=O ZINC000830973856 605342459 /nfs/dbraw/zinc/34/24/59/605342459.db2.gz AAVKBVDQKZNURB-NSHDSACASA-N -1 0 355.347 -0.714 20 0 FBADRM Cn1c(=O)cc(COC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])n(C)c1=O ZINC000830974130 603916812 /nfs/dbraw/zinc/91/68/12/603916812.db2.gz GWPBSYUEDVJHJV-LLVKDONJSA-N -1 0 355.347 -0.714 20 0 FBADRM Cn1c(=O)cc(COC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])n(C)c1=O ZINC000830974131 603916870 /nfs/dbraw/zinc/91/68/70/603916870.db2.gz GWPBSYUEDVJHJV-NSHDSACASA-N -1 0 355.347 -0.714 20 0 FBADRM Cn1c(=O)cc(COC(=O)C[C@H]2CSCCN2C(=O)[O-])n(C)c1=O ZINC000830974290 605825808 /nfs/dbraw/zinc/82/58/08/605825808.db2.gz JGJATODJPVTSSB-JTQLQIEISA-N -1 0 357.388 -0.387 20 0 FBADRM Cn1c(=O)cc(COC(=O)C[C@@H]2CSCCN2C(=O)[O-])n(C)c1=O ZINC000830974291 605826607 /nfs/dbraw/zinc/82/66/07/605826607.db2.gz JGJATODJPVTSSB-SNVBAGLBSA-N -1 0 357.388 -0.387 20 0 FBADRM CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1)C(C)C ZINC000830974970 604646201 /nfs/dbraw/zinc/64/62/01/604646201.db2.gz HKZHSVXYXNRNSZ-CYBMUJFWSA-N -1 0 351.359 -0.025 20 0 FBADRM CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1)C(C)C ZINC000830974972 604646363 /nfs/dbraw/zinc/64/63/63/604646363.db2.gz HKZHSVXYXNRNSZ-ZDUSSCGKSA-N -1 0 351.359 -0.025 20 0 FBADRM CNC(=O)[C@H](NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1)C(C)C ZINC000830975118 604646255 /nfs/dbraw/zinc/64/62/55/604646255.db2.gz JEQGWGJRRAIOJW-CYBMUJFWSA-N -1 0 351.359 -0.025 20 0 FBADRM CNC(=O)[C@@H](NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1)C(C)C ZINC000830975121 604646346 /nfs/dbraw/zinc/64/63/46/604646346.db2.gz JEQGWGJRRAIOJW-ZDUSSCGKSA-N -1 0 351.359 -0.025 20 0 FBADRM CNC(=O)[C@@H](NC(=O)CS(=O)(=O)CCCC(=O)[O-])c1ccccc1 ZINC000830975301 601899858 /nfs/dbraw/zinc/89/98/58/601899858.db2.gz LSUAFIDHWAARIN-AWEZNQCLSA-N -1 0 356.400 -0.131 20 0 FBADRM CNC(=O)[C@H](NC(=O)CS(=O)(=O)CCCC(=O)[O-])c1ccccc1 ZINC000830975303 601900189 /nfs/dbraw/zinc/90/01/89/601900189.db2.gz LSUAFIDHWAARIN-CQSZACIVSA-N -1 0 356.400 -0.131 20 0 FBADRM Cn1c(CO)nn(CN2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)c1=S ZINC000830975333 605172824 /nfs/dbraw/zinc/17/28/24/605172824.db2.gz WJIZYFREPXLNHQ-JTQLQIEISA-N -1 0 372.451 -0.503 20 0 FBADRM Cn1c(CO)nn(CN2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)c1=S ZINC000830975334 605172595 /nfs/dbraw/zinc/17/25/95/605172595.db2.gz WJIZYFREPXLNHQ-SNVBAGLBSA-N -1 0 372.451 -0.503 20 0 FBADRM CNC(=O)[C@@H](NC(=O)CS(=O)(=O)C[C@H](C)C(=O)[O-])c1ccccc1 ZINC000830975676 601898768 /nfs/dbraw/zinc/89/87/68/601898768.db2.gz PLCBZZANJMVPPG-GWCFXTLKSA-N -1 0 356.400 -0.275 20 0 FBADRM CNC(=O)[C@H](NC(=O)CS(=O)(=O)C[C@H](C)C(=O)[O-])c1ccccc1 ZINC000830975678 601898940 /nfs/dbraw/zinc/89/89/40/601898940.db2.gz PLCBZZANJMVPPG-GXFFZTMASA-N -1 0 356.400 -0.275 20 0 FBADRM CNC(=O)[C@@H](NC(=O)CS(=O)(=O)C[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000830975679 601898891 /nfs/dbraw/zinc/89/88/91/601898891.db2.gz PLCBZZANJMVPPG-MFKMUULPSA-N -1 0 356.400 -0.275 20 0 FBADRM CNC(=O)[C@H](NC(=O)CS(=O)(=O)C[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000830975680 601898898 /nfs/dbraw/zinc/89/88/98/601898898.db2.gz PLCBZZANJMVPPG-ZWNOBZJWSA-N -1 0 356.400 -0.275 20 0 FBADRM CNC(=O)[C@@H](NC(=O)CS(=O)(=O)[C@@H](C)CC(=O)[O-])c1ccccc1 ZINC000830975748 601898961 /nfs/dbraw/zinc/89/89/61/601898961.db2.gz RAQPTUFSLGQJCA-HZMBPMFUSA-N -1 0 356.400 -0.132 20 0 FBADRM CNC(=O)[C@H](NC(=O)CS(=O)(=O)[C@@H](C)CC(=O)[O-])c1ccccc1 ZINC000830975749 601898784 /nfs/dbraw/zinc/89/87/84/601898784.db2.gz RAQPTUFSLGQJCA-IINYFYTJSA-N -1 0 356.400 -0.132 20 0 FBADRM CNC(=O)[C@H](NC(=O)CS(=O)(=O)[C@H](C)CC(=O)[O-])c1ccccc1 ZINC000830975750 601898968 /nfs/dbraw/zinc/89/89/68/601898968.db2.gz RAQPTUFSLGQJCA-QMTHXVAHSA-N -1 0 356.400 -0.132 20 0 FBADRM CNC(=O)[C@@H](NC(=O)CS(=O)(=O)[C@H](C)CC(=O)[O-])c1ccccc1 ZINC000830975751 601898998 /nfs/dbraw/zinc/89/89/98/601898998.db2.gz RAQPTUFSLGQJCA-YGRLFVJLSA-N -1 0 356.400 -0.132 20 0 FBADRM Cn1c(Cl)ncc1S(=O)(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000830978230 605857658 /nfs/dbraw/zinc/85/76/58/605857658.db2.gz AMUCVODCFVFEAX-UHFFFAOYSA-N -1 0 351.816 -0.353 20 0 FBADRM CN1C(=S)N=NC1CCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000830978369 603754936 /nfs/dbraw/zinc/75/49/36/603754936.db2.gz GDVKUCFSAJUXLS-UHFFFAOYSA-N -1 0 356.452 -0.163 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000830978426 604996379 /nfs/dbraw/zinc/99/63/79/604996379.db2.gz ANZMTWYGKFNQDW-GFCCVEGCSA-N -1 0 351.334 -0.009 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000830978427 604996372 /nfs/dbraw/zinc/99/63/72/604996372.db2.gz ANZMTWYGKFNQDW-LBPRGKRZSA-N -1 0 351.334 -0.009 20 0 FBADRM Cn1c(N)c(C(=O)CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(=O)n(C)c1=O ZINC000830978543 603984575 /nfs/dbraw/zinc/98/45/75/603984575.db2.gz HXIDDNJRTYNEQZ-ZJUUUORDSA-N -1 0 365.390 -0.934 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000830978858 601221257 /nfs/dbraw/zinc/22/12/57/601221257.db2.gz KPTVLARTYKRQNV-JTQLQIEISA-N -1 0 373.387 -0.698 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000830978859 601221261 /nfs/dbraw/zinc/22/12/61/601221261.db2.gz KPTVLARTYKRQNV-SNVBAGLBSA-N -1 0 373.387 -0.698 20 0 FBADRM Cn1c(N)c(C(=O)COC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)c(=O)n(C)c1=O ZINC000830978991 605888460 /nfs/dbraw/zinc/88/84/60/605888460.db2.gz QUAFFCZLQDAJRJ-SECBINFHSA-N -1 0 370.362 -0.926 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000830979082 604415252 /nfs/dbraw/zinc/41/52/52/604415252.db2.gz PRNAKERYLYNKLZ-AAEUAGOBSA-N -1 0 361.354 -0.398 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000830979083 604415239 /nfs/dbraw/zinc/41/52/39/604415239.db2.gz PRNAKERYLYNKLZ-DGCLKSJQSA-N -1 0 361.354 -0.398 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000830979084 604415216 /nfs/dbraw/zinc/41/52/16/604415216.db2.gz PRNAKERYLYNKLZ-WCQYABFASA-N -1 0 361.354 -0.398 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000830979085 604415127 /nfs/dbraw/zinc/41/51/27/604415127.db2.gz PRNAKERYLYNKLZ-YPMHNXCESA-N -1 0 361.354 -0.398 20 0 FBADRM Cn1c(Cl)ncc1S(=O)(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000830979185 605859533 /nfs/dbraw/zinc/85/95/33/605859533.db2.gz VCJRINOACWZXSQ-UHFFFAOYSA-N -1 0 365.799 -0.826 20 0 FBADRM CN1C(=S)N=NC1C1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000830979618 603759040 /nfs/dbraw/zinc/75/90/40/603759040.db2.gz ZOSOGPMTXVIVRQ-NXEZZACHSA-N -1 0 355.420 -0.077 20 0 FBADRM CN1C(=S)N=NC1C1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000830979619 603759298 /nfs/dbraw/zinc/75/92/98/603759298.db2.gz ZOSOGPMTXVIVRQ-UWVGGRQHSA-N -1 0 355.420 -0.077 20 0 FBADRM CN1C(=S)N=NC1C1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000830979620 603759372 /nfs/dbraw/zinc/75/93/72/603759372.db2.gz ZOSOGPMTXVIVRQ-VHSXEESVSA-N -1 0 355.420 -0.077 20 0 FBADRM CN1C(=S)N=NC1C1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000830979621 603758818 /nfs/dbraw/zinc/75/88/18/603758818.db2.gz ZOSOGPMTXVIVRQ-ZJUUUORDSA-N -1 0 355.420 -0.077 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)C(=O)NCC(C)(C)C(=O)[O-])c2ccccc2O1 ZINC000830984096 601766801 /nfs/dbraw/zinc/76/68/01/601766801.db2.gz DLLDKIOGKBWGFZ-GFCCVEGCSA-N -1 0 363.370 -0.246 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)NCC(C)(C)C(=O)[O-])c2ccccc2O1 ZINC000830984097 601766705 /nfs/dbraw/zinc/76/67/05/601766705.db2.gz DLLDKIOGKBWGFZ-LBPRGKRZSA-N -1 0 363.370 -0.246 20 0 FBADRM CNC(=O)CCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000830984216 600878559 /nfs/dbraw/zinc/87/85/59/600878559.db2.gz LAUVXIIDQYDBEN-UHFFFAOYSA-N -1 0 365.342 -0.248 20 0 FBADRM CNC(=O)CCCNC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000830984460 600878483 /nfs/dbraw/zinc/87/84/83/600878483.db2.gz RJNIKZZYIFRBSN-UHFFFAOYSA-N -1 0 365.342 -0.248 20 0 FBADRM CNC(=O)CCCNC(=O)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000830984628 600878562 /nfs/dbraw/zinc/87/85/62/600878562.db2.gz VXVKOXVSZKDFSO-UHFFFAOYSA-N -1 0 367.358 -0.017 20 0 FBADRM Cn1cc(Br)cc(NC(=O)C(=O)NCCNC(=O)[O-])c1=O ZINC000830985132 604144061 /nfs/dbraw/zinc/14/40/61/604144061.db2.gz LUMLRRJYXIIMLD-UHFFFAOYSA-N -1 0 361.152 -0.530 20 0 FBADRM CNC(=O)CCNC(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830986872 661143995 /nfs/dbraw/zinc/14/39/95/661143995.db2.gz AHDLTMNPJNBKEI-SECBINFHSA-N -1 0 354.388 -0.013 20 0 FBADRM CNC(=O)CCNC(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830986903 661143868 /nfs/dbraw/zinc/14/38/68/661143868.db2.gz AHDLTMNPJNBKEI-VIFPVBQESA-N -1 0 354.388 -0.013 20 0 FBADRM CNC(=O)CCN(C)c1ncnc(N(C)CCC(=O)NC)c1C(=O)[O-] ZINC000830987257 605013764 /nfs/dbraw/zinc/01/37/64/605013764.db2.gz HFVUCLWXDYGKHI-UHFFFAOYSA-N -1 0 352.395 -0.681 20 0 FBADRM CNC(=O)CCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000830987335 604821985 /nfs/dbraw/zinc/82/19/85/604821985.db2.gz JKGHOLWSZTZNRT-UHFFFAOYSA-N -1 0 357.750 -0.006 20 0 FBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000830987372 600875585 /nfs/dbraw/zinc/87/55/85/600875585.db2.gz KHKVZDLIEQLNMW-UHFFFAOYSA-N -1 0 351.315 -0.686 20 0 FBADRM CNC(=O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000830987580 600877613 /nfs/dbraw/zinc/87/76/13/600877613.db2.gz KWTOHQBVOJJYHH-UHFFFAOYSA-N -1 0 353.331 -0.407 20 0 FBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000830987619 600875635 /nfs/dbraw/zinc/87/56/35/600875635.db2.gz MAWZGKPZJGJQBJ-UHFFFAOYSA-N -1 0 353.331 -0.455 20 0 FBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000830987747 600875637 /nfs/dbraw/zinc/87/56/37/600875637.db2.gz PTPLHYNIEICCHG-UHFFFAOYSA-N -1 0 351.315 -0.686 20 0 FBADRM Cn1cc(C(=O)NCC2CCN(C(=O)NC3CN(C(=O)[O-])C3)CC2)cn1 ZINC000830988027 604615723 /nfs/dbraw/zinc/61/57/23/604615723.db2.gz CKXKPBXHVZKQQG-UHFFFAOYSA-N -1 0 364.406 -0.066 20 0 FBADRM CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000830988066 604819691 /nfs/dbraw/zinc/81/96/91/604819691.db2.gz RFUBPRYNNUVMMA-UHFFFAOYSA-N -1 0 357.750 -0.054 20 0 FBADRM CNC(=O)CCNC(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000830988115 602062128 /nfs/dbraw/zinc/06/21/28/602062128.db2.gz UGGCZLYHAJMUJS-UHFFFAOYSA-N -1 0 371.415 -0.379 20 0 FBADRM CNC(=O)CCOC1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000830988160 601399110 /nfs/dbraw/zinc/39/91/10/601399110.db2.gz VFPUDRWJWPGEDB-UHFFFAOYSA-N -1 0 351.425 -0.745 20 0 FBADRM Cn1cc(C(=O)N2CCC(OCCCNC(=O)[O-])CC2)c(=O)[nH]c1=O ZINC000830989223 604073356 /nfs/dbraw/zinc/07/33/56/604073356.db2.gz LYIRYNINAXWICE-UHFFFAOYSA-N -1 0 354.363 -0.235 20 0 FBADRM Cn1cc(C(C)(C)NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)cn1 ZINC000830989257 604045028 /nfs/dbraw/zinc/04/50/28/604045028.db2.gz MNRUJGYGDPIQAH-UHFFFAOYSA-N -1 0 352.395 -0.223 20 0 FBADRM Cn1cc(C(N)=O)cc1C(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000830989271 604184274 /nfs/dbraw/zinc/18/42/74/604184274.db2.gz NDFBRGJUGSNVDQ-JTQLQIEISA-N -1 0 365.390 -0.640 20 0 FBADRM Cn1cc(C(N)=O)cc1C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000830989272 604184115 /nfs/dbraw/zinc/18/41/15/604184115.db2.gz NDFBRGJUGSNVDQ-SNVBAGLBSA-N -1 0 365.390 -0.640 20 0 FBADRM Cn1cc(C(=O)N2CCC(OCCCNC(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000830989808 604070270 /nfs/dbraw/zinc/07/02/70/604070270.db2.gz TYCQIOVPTFPINZ-UHFFFAOYSA-N -1 0 368.390 -0.637 20 0 FBADRM CNC(=O)CN1CCN(C(=O)Nc2nnc(CCCC(=O)[O-])s2)CC1 ZINC000830991570 602279648 /nfs/dbraw/zinc/27/96/48/602279648.db2.gz DNPIQGFSJAFFEN-UHFFFAOYSA-N -1 0 370.435 -0.159 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC000830991610 604693144 /nfs/dbraw/zinc/69/31/44/604693144.db2.gz GFYOCRBJNZOIFW-CYBMUJFWSA-N -1 0 363.370 -0.844 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC000830991611 604693398 /nfs/dbraw/zinc/69/33/98/604693398.db2.gz GFYOCRBJNZOIFW-ZDUSSCGKSA-N -1 0 363.370 -0.844 20 0 FBADRM CNC(=O)COc1ccc(OS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000830991643 600749808 /nfs/dbraw/zinc/74/98/08/600749808.db2.gz HUKSJDBGQRQKRG-UHFFFAOYSA-N -1 0 369.355 -0.140 20 0 FBADRM CNC(=O)CN1CCC(NS(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000830991660 601216260 /nfs/dbraw/zinc/21/62/60/601216260.db2.gz JRKSIKOZZZYYIT-UHFFFAOYSA-N -1 0 359.404 -0.225 20 0 FBADRM CNC(=O)COc1ccc(NC(=O)C(=O)NCC(C)(C)C(=O)[O-])cc1 ZINC000830991780 601767401 /nfs/dbraw/zinc/76/74/01/601767401.db2.gz PMHVAWJECJXGJK-UHFFFAOYSA-N -1 0 351.359 -0.023 20 0 FBADRM CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000830991980 601481619 /nfs/dbraw/zinc/48/16/19/601481619.db2.gz VWZXUQBFROMEEA-INIZCTEOSA-N -1 0 367.333 -0.225 20 0 FBADRM CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000830991981 601481631 /nfs/dbraw/zinc/48/16/31/601481631.db2.gz VWZXUQBFROMEEA-MRXNPFEDSA-N -1 0 367.333 -0.225 20 0 FBADRM Cn1cc([C@H](O)CNC(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)cn1 ZINC000830993251 603830960 /nfs/dbraw/zinc/83/09/60/603830960.db2.gz HBKRBLHVFLRZAR-CYBMUJFWSA-N -1 0 363.378 -0.210 20 0 FBADRM Cn1cc([C@@H](O)CNC(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)cn1 ZINC000830993252 603830554 /nfs/dbraw/zinc/83/05/54/603830554.db2.gz HBKRBLHVFLRZAR-ZDUSSCGKSA-N -1 0 363.378 -0.210 20 0 FBADRM Cn1cc(C(N)=O)cc1C(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000830993414 604230576 /nfs/dbraw/zinc/23/05/76/604230576.db2.gz IYXIHTNWTHUDHO-UHFFFAOYSA-N -1 0 362.350 -0.706 20 0 FBADRM Cn1cc([C@H](O)CNC(=O)C(=O)Nc2cccc(CNC(=O)[O-])c2)cn1 ZINC000830993666 603736528 /nfs/dbraw/zinc/73/65/28/603736528.db2.gz LTLUFSHVURFLMH-CYBMUJFWSA-N -1 0 361.358 -0.024 20 0 FBADRM Cn1cc([C@@H](O)CNC(=O)C(=O)Nc2cccc(CNC(=O)[O-])c2)cn1 ZINC000830993667 603736722 /nfs/dbraw/zinc/73/67/22/603736722.db2.gz LTLUFSHVURFLMH-ZDUSSCGKSA-N -1 0 361.358 -0.024 20 0 FBADRM Cn1cc([C@H](O)CNC(=O)NCCCN2CCN(C(=O)[O-])CC2)cn1 ZINC000830994181 604010524 /nfs/dbraw/zinc/01/05/24/604010524.db2.gz PMFAIUFCNLDMIE-CYBMUJFWSA-N -1 0 354.411 -0.562 20 0 FBADRM Cn1cc([C@@H](O)CNC(=O)NCCCN2CCN(C(=O)[O-])CC2)cn1 ZINC000830994183 604010636 /nfs/dbraw/zinc/01/06/36/604010636.db2.gz PMFAIUFCNLDMIE-ZDUSSCGKSA-N -1 0 354.411 -0.562 20 0 FBADRM Cn1cc([C@]2(C)CN(C(=O)CN3CCN(C(=O)[O-])CC3=O)CCO2)cn1 ZINC000830995219 604740628 /nfs/dbraw/zinc/74/06/28/604740628.db2.gz XAUBJBGCHBRSJN-INIZCTEOSA-N -1 0 365.390 -0.684 20 0 FBADRM Cn1cc([C@@]2(C)CN(C(=O)CN3CCN(C(=O)[O-])CC3=O)CCO2)cn1 ZINC000830995220 604740890 /nfs/dbraw/zinc/74/08/90/604740890.db2.gz XAUBJBGCHBRSJN-MRXNPFEDSA-N -1 0 365.390 -0.684 20 0 FBADRM CNC(=O)Cc1nc(CN(CCN2CCOCC2)CC(=O)[O-])cs1 ZINC000830996697 601226061 /nfs/dbraw/zinc/22/60/61/601226061.db2.gz HHZHTZAYLSUFCL-UHFFFAOYSA-N -1 0 356.448 -0.350 20 0 FBADRM CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000830997079 601495225 /nfs/dbraw/zinc/49/52/25/601495225.db2.gz PMLRYNXURGKDQQ-CYBMUJFWSA-N -1 0 363.370 -0.384 20 0 FBADRM CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000830997080 601495247 /nfs/dbraw/zinc/49/52/47/601495247.db2.gz PMLRYNXURGKDQQ-ZDUSSCGKSA-N -1 0 363.370 -0.384 20 0 FBADRM CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000830997185 601483175 /nfs/dbraw/zinc/48/31/75/601483175.db2.gz RVALSDIKVLOPGD-INIZCTEOSA-N -1 0 351.334 -0.061 20 0 FBADRM CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000830997188 601483166 /nfs/dbraw/zinc/48/31/66/601483166.db2.gz RVALSDIKVLOPGD-MRXNPFEDSA-N -1 0 351.334 -0.061 20 0 FBADRM CNC(=O)COc1cccc(CNS(=O)(=O)N(C)CCC(=O)[O-])c1 ZINC000830997383 601256024 /nfs/dbraw/zinc/25/60/24/601256024.db2.gz YYTFEGTYQUOFBM-UHFFFAOYSA-N -1 0 359.404 -0.448 20 0 FBADRM Cn1cc(/C=C\C(=O)N(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000830999994 605795827 /nfs/dbraw/zinc/79/58/27/605795827.db2.gz PJKNABYTYXTUML-ACVFHECNSA-N -1 0 362.386 -0.160 20 0 FBADRM Cn1cc(/C=C\C(=O)N(C2CC2)[C@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000830999995 605795505 /nfs/dbraw/zinc/79/55/05/605795505.db2.gz PJKNABYTYXTUML-RJNRQISESA-N -1 0 362.386 -0.160 20 0 FBADRM Cn1cc(/C=C/C(=O)N(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000830999996 605795358 /nfs/dbraw/zinc/79/53/58/605795358.db2.gz PJKNABYTYXTUML-VUUYWXRKSA-N -1 0 362.386 -0.160 20 0 FBADRM Cn1cc(/C=C/C(=O)N(C2CC2)[C@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000830999997 605795512 /nfs/dbraw/zinc/79/55/12/605795512.db2.gz PJKNABYTYXTUML-YIALFULDSA-N -1 0 362.386 -0.160 20 0 FBADRM Cn1cc([C@@H]2CN(C(=O)NCCN3CCN(C(=O)[O-])CC3)CCO2)cn1 ZINC000831000068 603627593 /nfs/dbraw/zinc/62/75/93/603627593.db2.gz QSTMLXMLFOLIDH-AWEZNQCLSA-N -1 0 366.422 -0.201 20 0 FBADRM Cn1cc([C@H]2CN(C(=O)NCCN3CCN(C(=O)[O-])CC3)CCO2)cn1 ZINC000831000069 603627190 /nfs/dbraw/zinc/62/71/90/603627190.db2.gz QSTMLXMLFOLIDH-CQSZACIVSA-N -1 0 366.422 -0.201 20 0 FBADRM Cn1cc([C@@H]2CN(CN3C[C@@H]4CN(C(=O)[O-])CCN4C3=O)CCO2)cn1 ZINC000831000127 603607258 /nfs/dbraw/zinc/60/72/58/603607258.db2.gz SCOFUNNLYOHMAK-KBPBESRZSA-N -1 0 364.406 -0.149 20 0 FBADRM Cn1cc([C@@H]2CN(CN3C[C@H]4CN(C(=O)[O-])CCN4C3=O)CCO2)cn1 ZINC000831000128 603607327 /nfs/dbraw/zinc/60/73/27/603607327.db2.gz SCOFUNNLYOHMAK-KGLIPLIRSA-N -1 0 364.406 -0.149 20 0 FBADRM Cn1cc([C@H]2CN(CN3C[C@@H]4CN(C(=O)[O-])CCN4C3=O)CCO2)cn1 ZINC000831000129 603608436 /nfs/dbraw/zinc/60/84/36/603608436.db2.gz SCOFUNNLYOHMAK-UONOGXRCSA-N -1 0 364.406 -0.149 20 0 FBADRM Cn1cc([C@H]2CN(CN3C[C@H]4CN(C(=O)[O-])CCN4C3=O)CCO2)cn1 ZINC000831000130 603608595 /nfs/dbraw/zinc/60/85/95/603608595.db2.gz SCOFUNNLYOHMAK-ZIAGYGMSSA-N -1 0 364.406 -0.149 20 0 FBADRM Cn1cc(/C=C\C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(=O)n(C)c1=O ZINC000831000233 604019547 /nfs/dbraw/zinc/01/95/47/604019547.db2.gz VUJRMCPBHTXBLE-NAFLWYGVSA-N -1 0 362.386 -0.160 20 0 FBADRM Cn1cc(/C=C/C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(=O)n(C)c1=O ZINC000831000234 604020035 /nfs/dbraw/zinc/02/00/35/604020035.db2.gz VUJRMCPBHTXBLE-OIOWFRMASA-N -1 0 362.386 -0.160 20 0 FBADRM Cn1cc(CCCN2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)cn1 ZINC000831000266 604100247 /nfs/dbraw/zinc/10/02/47/604100247.db2.gz WVGDNBASEMSVJY-UHFFFAOYSA-N -1 0 371.463 -0.338 20 0 FBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000831000341 601496672 /nfs/dbraw/zinc/49/66/72/601496672.db2.gz CXPRNAVPODSNRR-SSDOTTSWSA-N -1 0 353.331 -0.409 20 0 FBADRM Cn1cc([C@H]2CN(C(=O)CN3CCN(C(=O)[O-])CC3=O)CCO2)cn1 ZINC000831000540 603552343 /nfs/dbraw/zinc/55/23/43/603552343.db2.gz ZYOVXQXJYOBVLM-GFCCVEGCSA-N -1 0 351.363 -0.858 20 0 FBADRM Cn1cc([C@@H]2CN(C(=O)CN3CCN(C(=O)[O-])CC3=O)CCO2)cn1 ZINC000831000541 603552339 /nfs/dbraw/zinc/55/23/39/603552339.db2.gz ZYOVXQXJYOBVLM-LBPRGKRZSA-N -1 0 351.363 -0.858 20 0 FBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000831000848 601496643 /nfs/dbraw/zinc/49/66/43/601496643.db2.gz NPGWQDXILRYYPC-SSDOTTSWSA-N -1 0 351.315 -0.639 20 0 FBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000831000892 604831980 /nfs/dbraw/zinc/83/19/80/604831980.db2.gz OELOGMPZJIBITO-SSDOTTSWSA-N -1 0 357.750 -0.007 20 0 FBADRM CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000831000912 601496594 /nfs/dbraw/zinc/49/65/94/601496594.db2.gz PHIRAIYIOLNYOR-SSDOTTSWSA-N -1 0 351.315 -0.639 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)N3CCC[C@H]3CNC(=O)[O-])C2=O)cn1 ZINC000831004162 604146073 /nfs/dbraw/zinc/14/60/73/604146073.db2.gz CWURMMMUCWOAGQ-CMPLNLGQSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)N3CCC[C@H]3CNC(=O)[O-])C2=O)cn1 ZINC000831004163 604146141 /nfs/dbraw/zinc/14/61/41/604146141.db2.gz CWURMMMUCWOAGQ-JQWIXIFHSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)N3CCC[C@@H]3CNC(=O)[O-])C2=O)cn1 ZINC000831004164 604146143 /nfs/dbraw/zinc/14/61/43/604146143.db2.gz CWURMMMUCWOAGQ-PWSUYJOCSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)N3CCC[C@@H]3CNC(=O)[O-])C2=O)cn1 ZINC000831004165 604145992 /nfs/dbraw/zinc/14/59/92/604145992.db2.gz CWURMMMUCWOAGQ-ZYHUDNBSSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(CN2CCN(C(=O)C[C@H]3CN(C(=O)[O-])CCO3)CC2)cn1 ZINC000831004241 604843278 /nfs/dbraw/zinc/84/32/78/604843278.db2.gz FRRCUUGABBRYCA-AWEZNQCLSA-N -1 0 351.407 -0.167 20 0 FBADRM Cn1cc(CN2CCN(C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)CC2)cn1 ZINC000831004242 604843222 /nfs/dbraw/zinc/84/32/22/604843222.db2.gz FRRCUUGABBRYCA-CQSZACIVSA-N -1 0 351.407 -0.167 20 0 FBADRM Cn1cc(N2CCC[C@@H](NC(=O)COC3CN(C(=O)[O-])C3)C2=O)cn1 ZINC000831004276 604017259 /nfs/dbraw/zinc/01/72/59/604017259.db2.gz GFSZJBKJUZZYRF-GFCCVEGCSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)COC3CN(C(=O)[O-])C3)C2=O)cn1 ZINC000831004277 604017157 /nfs/dbraw/zinc/01/71/57/604017157.db2.gz GFSZJBKJUZZYRF-LBPRGKRZSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(N2CCC[C@@H](NC(=O)[C@@H]3CN(C(=O)[O-])CCO3)C2=O)cn1 ZINC000831004355 604872194 /nfs/dbraw/zinc/87/21/94/604872194.db2.gz IJLOJSKYKJLJJX-NEPJUHHUSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)[C@H]3CN(C(=O)[O-])CCO3)C2=O)cn1 ZINC000831004356 604872205 /nfs/dbraw/zinc/87/22/05/604872205.db2.gz IJLOJSKYKJLJJX-NWDGAFQWSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)[C@@H]3CN(C(=O)[O-])CCO3)C2=O)cn1 ZINC000831004357 604872306 /nfs/dbraw/zinc/87/23/06/604872306.db2.gz IJLOJSKYKJLJJX-RYUDHWBXSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(N2CCC[C@@H](NC(=O)[C@H]3CN(C(=O)[O-])CCO3)C2=O)cn1 ZINC000831004358 604872424 /nfs/dbraw/zinc/87/24/24/604872424.db2.gz IJLOJSKYKJLJJX-VXGBXAGGSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(N2CCC[C@@H](NC(=O)N3CCN(C(=O)[O-])CC3)C2=O)cn1 ZINC000831004361 604161176 /nfs/dbraw/zinc/16/11/76/604161176.db2.gz IJWMDICIMMZJFY-GFCCVEGCSA-N -1 0 350.379 -0.079 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)N3CCN(C(=O)[O-])CC3)C2=O)cn1 ZINC000831004362 604161007 /nfs/dbraw/zinc/16/10/07/604161007.db2.gz IJWMDICIMMZJFY-LBPRGKRZSA-N -1 0 350.379 -0.079 20 0 FBADRM Cn1cc(CN2CCCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)CC2)cn1 ZINC000831004364 604841851 /nfs/dbraw/zinc/84/18/51/604841851.db2.gz IKESSWKBJAMNJQ-AWEZNQCLSA-N -1 0 351.407 -0.167 20 0 FBADRM Cn1cc(CN2CCCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)CC2)cn1 ZINC000831004365 604841681 /nfs/dbraw/zinc/84/16/81/604841681.db2.gz IKESSWKBJAMNJQ-CQSZACIVSA-N -1 0 351.407 -0.167 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)C[C@@H]3CN(C(=O)[O-])CCO3)C2=O)cn1 ZINC000831004403 604864352 /nfs/dbraw/zinc/86/43/52/604864352.db2.gz JKNRFQSKCMHQTF-NEPJUHHUSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)C[C@H]3CN(C(=O)[O-])CCO3)C2=O)cn1 ZINC000831004404 604864057 /nfs/dbraw/zinc/86/40/57/604864057.db2.gz JKNRFQSKCMHQTF-NWDGAFQWSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)C[C@H]3CN(C(=O)[O-])CCO3)C2=O)cn1 ZINC000831004405 604863911 /nfs/dbraw/zinc/86/39/11/604863911.db2.gz JKNRFQSKCMHQTF-RYUDHWBXSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)C[C@@H]3CN(C(=O)[O-])CCO3)C2=O)cn1 ZINC000831004406 604863982 /nfs/dbraw/zinc/86/39/82/604863982.db2.gz JKNRFQSKCMHQTF-VXGBXAGGSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])C2=O)cn1 ZINC000831004423 603836605 /nfs/dbraw/zinc/83/66/05/603836605.db2.gz JSYNRKLDSPOEGU-GRYCIOLGSA-N -1 0 351.363 -0.855 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])C2=O)cn1 ZINC000831004424 603837049 /nfs/dbraw/zinc/83/70/49/603837049.db2.gz JSYNRKLDSPOEGU-SDDRHHMPSA-N -1 0 351.363 -0.855 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])C2=O)cn1 ZINC000831004425 603836429 /nfs/dbraw/zinc/83/64/29/603836429.db2.gz JSYNRKLDSPOEGU-SRVKXCTJSA-N -1 0 351.363 -0.855 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])C2=O)cn1 ZINC000831004426 603836828 /nfs/dbraw/zinc/83/68/28/603836828.db2.gz JSYNRKLDSPOEGU-WOPDTQHZSA-N -1 0 351.363 -0.855 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)CO[C@@H]3CCCN(C(=O)[O-])C3)C2=O)cn1 ZINC000831004497 605347826 /nfs/dbraw/zinc/34/78/26/605347826.db2.gz LTLXRBVYNPOBHJ-CHWSQXEVSA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)CO[C@@H]3CCCN(C(=O)[O-])C3)C2=O)cn1 ZINC000831004498 605347322 /nfs/dbraw/zinc/34/73/22/605347322.db2.gz LTLXRBVYNPOBHJ-OLZOCXBDSA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)CO[C@H]3CCCN(C(=O)[O-])C3)C2=O)cn1 ZINC000831004499 605346969 /nfs/dbraw/zinc/34/69/69/605346969.db2.gz LTLXRBVYNPOBHJ-QWHCGFSZSA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)CO[C@H]3CCCN(C(=O)[O-])C3)C2=O)cn1 ZINC000831004500 605347394 /nfs/dbraw/zinc/34/73/94/605347394.db2.gz LTLXRBVYNPOBHJ-STQMWFEESA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1cc(CN2CCCN(C(=O)COC3CN(C(=O)[O-])C3)CC2)cn1 ZINC000831004657 604001895 /nfs/dbraw/zinc/00/18/95/604001895.db2.gz PWSHAVGDOFXFHJ-UHFFFAOYSA-N -1 0 351.407 -0.167 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)CN3CCC(NC(=O)[O-])CC3)C2=O)cn1 ZINC000831004671 605729148 /nfs/dbraw/zinc/72/91/48/605729148.db2.gz QBDWHEPRSAHMSD-CYBMUJFWSA-N -1 0 364.406 -0.626 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)CN3CCC(NC(=O)[O-])CC3)C2=O)cn1 ZINC000831004672 605729414 /nfs/dbraw/zinc/72/94/14/605729414.db2.gz QBDWHEPRSAHMSD-ZDUSSCGKSA-N -1 0 364.406 -0.626 20 0 FBADRM Cn1cc(CN2CCN(CN3CC4(CN(C(=O)[O-])C4)CC3=O)CC2)cn1 ZINC000831004896 603589525 /nfs/dbraw/zinc/58/95/25/603589525.db2.gz USYHKAZOAQFUMA-UHFFFAOYSA-N -1 0 362.434 -0.293 20 0 FBADRM Cn1cc(CN2CCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])CC2)cn1 ZINC000831004921 603760999 /nfs/dbraw/zinc/76/09/99/603760999.db2.gz VINRAHJQOUZSMO-KBPBESRZSA-N -1 0 351.407 -0.432 20 0 FBADRM Cn1cc(CN2CCCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])CC2)cn1 ZINC000831004922 603760717 /nfs/dbraw/zinc/76/07/17/603760717.db2.gz VINRAHJQOUZSMO-KGLIPLIRSA-N -1 0 351.407 -0.432 20 0 FBADRM Cn1cc(CN2CCCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])CC2)cn1 ZINC000831004923 603761349 /nfs/dbraw/zinc/76/13/49/603761349.db2.gz VINRAHJQOUZSMO-UONOGXRCSA-N -1 0 351.407 -0.432 20 0 FBADRM Cn1cc(CN2CCCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])CC2)cn1 ZINC000831004924 603761133 /nfs/dbraw/zinc/76/11/33/603761133.db2.gz VINRAHJQOUZSMO-ZIAGYGMSSA-N -1 0 351.407 -0.432 20 0 FBADRM Cn1cc(N2CC[C@H](OC(=O)C[C@@H]3CN(C(=O)[O-])CCO3)C2=O)cn1 ZINC000831004925 605228884 /nfs/dbraw/zinc/22/88/84/605228884.db2.gz VIZPNQORRXIXMN-NEPJUHHUSA-N -1 0 352.347 -0.163 20 0 FBADRM Cn1cc(N2CC[C@@H](OC(=O)C[C@H]3CN(C(=O)[O-])CCO3)C2=O)cn1 ZINC000831004926 605228658 /nfs/dbraw/zinc/22/86/58/605228658.db2.gz VIZPNQORRXIXMN-NWDGAFQWSA-N -1 0 352.347 -0.163 20 0 FBADRM Cn1cc(N2CC[C@H](OC(=O)C[C@H]3CN(C(=O)[O-])CCO3)C2=O)cn1 ZINC000831004927 605228787 /nfs/dbraw/zinc/22/87/87/605228787.db2.gz VIZPNQORRXIXMN-RYUDHWBXSA-N -1 0 352.347 -0.163 20 0 FBADRM Cn1cc(N2CC[C@@H](OC(=O)C[C@@H]3CN(C(=O)[O-])CCO3)C2=O)cn1 ZINC000831004928 605228817 /nfs/dbraw/zinc/22/88/17/605228817.db2.gz VIZPNQORRXIXMN-VXGBXAGGSA-N -1 0 352.347 -0.163 20 0 FBADRM Cn1cc(N2CCC[C@@H](NC(=O)C[C@@H]3CN(C(=O)[O-])CCO3)C2=O)cn1 ZINC000831004943 604872341 /nfs/dbraw/zinc/87/23/41/604872341.db2.gz WBEWDGFNOITJCO-CHWSQXEVSA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)C[C@@H]3CN(C(=O)[O-])CCO3)C2=O)cn1 ZINC000831004944 604872112 /nfs/dbraw/zinc/87/21/12/604872112.db2.gz WBEWDGFNOITJCO-OLZOCXBDSA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1cc(N2CCC[C@@H](NC(=O)C[C@H]3CN(C(=O)[O-])CCO3)C2=O)cn1 ZINC000831004945 604872476 /nfs/dbraw/zinc/87/24/76/604872476.db2.gz WBEWDGFNOITJCO-QWHCGFSZSA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)C[C@H]3CN(C(=O)[O-])CCO3)C2=O)cn1 ZINC000831004946 604872219 /nfs/dbraw/zinc/87/22/19/604872219.db2.gz WBEWDGFNOITJCO-STQMWFEESA-N -1 0 365.390 -0.199 20 0 FBADRM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000831005157 601289668 /nfs/dbraw/zinc/28/96/68/601289668.db2.gz GMBRBPOPAVXYJD-ZDUSSCGKSA-N -1 0 370.369 -0.069 20 0 FBADRM CNC(=O)c1cc(OC)c(OC)cc1NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000831005189 601276028 /nfs/dbraw/zinc/27/60/28/601276028.db2.gz HMOKHBLXVSOZGI-UHFFFAOYSA-N -1 0 363.330 -0.008 20 0 FBADRM Cn1cc(N2CCC[C@@H](NC(=O)N3CC[C@H](NC(=O)[O-])C3)C2=O)cn1 ZINC000831005247 605106281 /nfs/dbraw/zinc/10/62/81/605106281.db2.gz YNAIDZRFNXWGBE-CMPLNLGQSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)N3CC[C@H](NC(=O)[O-])C3)C2=O)cn1 ZINC000831005248 605106247 /nfs/dbraw/zinc/10/62/47/605106247.db2.gz YNAIDZRFNXWGBE-JQWIXIFHSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)N3CC[C@@H](NC(=O)[O-])C3)C2=O)cn1 ZINC000831005249 604605512 /nfs/dbraw/zinc/60/55/12/604605512.db2.gz YNAIDZRFNXWGBE-PWSUYJOCSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(N2CCC[C@@H](NC(=O)N3CC[C@@H](NC(=O)[O-])C3)C2=O)cn1 ZINC000831005250 604605355 /nfs/dbraw/zinc/60/53/55/604605355.db2.gz YNAIDZRFNXWGBE-ZYHUDNBSSA-N -1 0 350.379 -0.033 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cn1C ZINC000831005440 601260656 /nfs/dbraw/zinc/26/06/56/601260656.db2.gz MDIYYRYQHREQIW-LLVKDONJSA-N -1 0 372.447 -0.446 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cn1C ZINC000831005441 601260611 /nfs/dbraw/zinc/26/06/11/601260611.db2.gz MDIYYRYQHREQIW-NSHDSACASA-N -1 0 372.447 -0.446 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N(C)[C@H](COC(C)C)C(=O)[O-])cn1C ZINC000831005615 602232776 /nfs/dbraw/zinc/23/27/76/602232776.db2.gz TZKITXSNXFJJDT-GFCCVEGCSA-N -1 0 361.420 -0.117 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])cn1C ZINC000831005616 602232889 /nfs/dbraw/zinc/23/28/89/602232889.db2.gz TZKITXSNXFJJDT-LBPRGKRZSA-N -1 0 361.420 -0.117 20 0 FBADRM Cn1cc(N2CCN(CN3C[C@@H]4CN(C(=O)[O-])CCN4C3=O)CC2)cn1 ZINC000831008712 603609060 /nfs/dbraw/zinc/60/90/60/603609060.db2.gz ACZSBAQEQAPAGD-AWEZNQCLSA-N -1 0 363.422 -0.401 20 0 FBADRM Cn1cc(N2CCN(CN3C[C@H]4CN(C(=O)[O-])CCN4C3=O)CC2)cn1 ZINC000831008713 603608769 /nfs/dbraw/zinc/60/87/69/603608769.db2.gz ACZSBAQEQAPAGD-CQSZACIVSA-N -1 0 363.422 -0.401 20 0 FBADRM Cn1cc(N2CCN(CN3CC4(CN(C(=O)[O-])C4)CC3=O)CC2=O)cn1 ZINC000831008804 603922451 /nfs/dbraw/zinc/92/24/51/603922451.db2.gz CJAOGKLZLXAUKC-UHFFFAOYSA-N -1 0 362.390 -0.762 20 0 FBADRM Cn1cc(N2CCN(C(=O)NC3CCN(C(=O)[O-])CC3)CC2=O)cn1 ZINC000831008921 604075145 /nfs/dbraw/zinc/07/51/45/604075145.db2.gz GAOQVBVMVSYOOM-UHFFFAOYSA-N -1 0 350.379 -0.079 20 0 FBADRM Cn1cc(N2CCN(C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)CC2=O)cn1 ZINC000831009015 604889965 /nfs/dbraw/zinc/88/99/65/604889965.db2.gz HUDNVNPTBMAYGP-GFCCVEGCSA-N -1 0 351.363 -0.636 20 0 FBADRM Cn1cc(N2CCN(C(=O)C[C@H]3CN(C(=O)[O-])CCO3)CC2=O)cn1 ZINC000831009016 604889805 /nfs/dbraw/zinc/88/98/05/604889805.db2.gz HUDNVNPTBMAYGP-LBPRGKRZSA-N -1 0 351.363 -0.636 20 0 FBADRM Cn1cc(N2CCN(C(=O)NCCN(C(=O)[O-])C3CC3)CC2=O)cn1 ZINC000831009044 604076611 /nfs/dbraw/zinc/07/66/11/604076611.db2.gz IQNHSYXDAQEZHM-UHFFFAOYSA-N -1 0 350.379 -0.079 20 0 FBADRM Cn1cc(N2CCN(C(=O)CN(C[C@H]3CCCO3)C(=O)[O-])CC2=O)cn1 ZINC000831009116 603997554 /nfs/dbraw/zinc/99/75/54/603997554.db2.gz KJLDGJQTHNFUGJ-CYBMUJFWSA-N -1 0 365.390 -0.246 20 0 FBADRM Cn1cc(N2CCN(C(=O)CN(C[C@@H]3CCCO3)C(=O)[O-])CC2=O)cn1 ZINC000831009117 603997693 /nfs/dbraw/zinc/99/76/93/603997693.db2.gz KJLDGJQTHNFUGJ-ZDUSSCGKSA-N -1 0 365.390 -0.246 20 0 FBADRM Cn1cc(N2CCC[C@@H](OC(=O)COC3CN(C(=O)[O-])C3)C2=O)cn1 ZINC000831009174 603446462 /nfs/dbraw/zinc/44/64/62/603446462.db2.gz MHYMPENTHDNQTE-GFCCVEGCSA-N -1 0 352.347 -0.163 20 0 FBADRM Cn1cc(N2CCC[C@H](OC(=O)COC3CN(C(=O)[O-])C3)C2=O)cn1 ZINC000831009175 603446511 /nfs/dbraw/zinc/44/65/11/603446511.db2.gz MHYMPENTHDNQTE-LBPRGKRZSA-N -1 0 352.347 -0.163 20 0 FBADRM Cn1cc(N2CCN(C(=O)N[C@H](CNC(=O)[O-])C3CC3)CC2=O)cn1 ZINC000831009187 604079070 /nfs/dbraw/zinc/07/90/70/604079070.db2.gz MWESSAAJSAKNLQ-GFCCVEGCSA-N -1 0 350.379 -0.176 20 0 FBADRM Cn1cc(N2CCN(C(=O)N[C@@H](CNC(=O)[O-])C3CC3)CC2=O)cn1 ZINC000831009188 604078985 /nfs/dbraw/zinc/07/89/85/604078985.db2.gz MWESSAAJSAKNLQ-LBPRGKRZSA-N -1 0 350.379 -0.176 20 0 FBADRM Cn1cc(N2CCC[C@@H](NC(=O)N[C@H]3CCN(C(=O)[O-])C3)C2=O)cn1 ZINC000831009234 603788660 /nfs/dbraw/zinc/78/86/60/603788660.db2.gz OCQQKUUMSFZSDV-CMPLNLGQSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)N[C@H]3CCN(C(=O)[O-])C3)C2=O)cn1 ZINC000831009235 603788451 /nfs/dbraw/zinc/78/84/51/603788451.db2.gz OCQQKUUMSFZSDV-JQWIXIFHSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)N[C@@H]3CCN(C(=O)[O-])C3)C2=O)cn1 ZINC000831009236 603788467 /nfs/dbraw/zinc/78/84/67/603788467.db2.gz OCQQKUUMSFZSDV-PWSUYJOCSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(N2CCC[C@@H](NC(=O)N[C@@H]3CCN(C(=O)[O-])C3)C2=O)cn1 ZINC000831009237 603788248 /nfs/dbraw/zinc/78/82/48/603788248.db2.gz OCQQKUUMSFZSDV-ZYHUDNBSSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1cc(N2CCN(C(=O)CO[C@@H]3CCCN(C(=O)[O-])C3)CC2=O)cn1 ZINC000831009243 605387312 /nfs/dbraw/zinc/38/73/12/605387312.db2.gz OKWJJJIXLNCUQH-CYBMUJFWSA-N -1 0 365.390 -0.246 20 0 FBADRM Cn1cc(N2CCN(C(=O)CO[C@H]3CCCN(C(=O)[O-])C3)CC2=O)cn1 ZINC000831009244 605387068 /nfs/dbraw/zinc/38/70/68/605387068.db2.gz OKWJJJIXLNCUQH-ZDUSSCGKSA-N -1 0 365.390 -0.246 20 0 FBADRM Cn1cc(N2CCN(C(=O)NCCN3CCN(C(=O)[O-])CC3)CC2)cn1 ZINC000831009338 603898543 /nfs/dbraw/zinc/89/85/43/603898543.db2.gz QYEDDXSNBQHTBH-UHFFFAOYSA-N -1 0 365.438 -0.453 20 0 FBADRM Cn1cc(N2CCN(C(=O)NC[C@H]3CCCN3C(=O)[O-])CC2=O)cn1 ZINC000831009402 604076761 /nfs/dbraw/zinc/07/67/61/604076761.db2.gz SUYUNHDOTIETQA-LLVKDONJSA-N -1 0 350.379 -0.079 20 0 FBADRM Cn1cc(N2CCN(C(=O)NC[C@@H]3CCCN3C(=O)[O-])CC2=O)cn1 ZINC000831009403 604076757 /nfs/dbraw/zinc/07/67/57/604076757.db2.gz SUYUNHDOTIETQA-NSHDSACASA-N -1 0 350.379 -0.079 20 0 FBADRM Cn1cc(N2CCN(C(=O)N[C@@H]3CCCN(C(=O)[O-])C3)CC2=O)cn1 ZINC000831009431 604079054 /nfs/dbraw/zinc/07/90/54/604079054.db2.gz UEXLASRRXHQHHP-LLVKDONJSA-N -1 0 350.379 -0.079 20 0 FBADRM Cn1cc(N2CCN(C(=O)N[C@H]3CCCN(C(=O)[O-])C3)CC2=O)cn1 ZINC000831009432 605663358 /nfs/dbraw/zinc/66/33/58/605663358.db2.gz UEXLASRRXHQHHP-NSHDSACASA-N -1 0 350.379 -0.079 20 0 FBADRM Cn1cc(N2CCC[C@@H](OC(=O)[C@@H]3CN(C(=O)[O-])CCO3)C2=O)cn1 ZINC000831009529 605199562 /nfs/dbraw/zinc/19/95/62/605199562.db2.gz WZWLYCFHJFORBB-NEPJUHHUSA-N -1 0 352.347 -0.163 20 0 FBADRM Cn1cc(N2CCC[C@H](OC(=O)[C@H]3CN(C(=O)[O-])CCO3)C2=O)cn1 ZINC000831009530 605199665 /nfs/dbraw/zinc/19/96/65/605199665.db2.gz WZWLYCFHJFORBB-NWDGAFQWSA-N -1 0 352.347 -0.163 20 0 FBADRM Cn1cc(N2CCC[C@H](OC(=O)[C@@H]3CN(C(=O)[O-])CCO3)C2=O)cn1 ZINC000831009531 605199681 /nfs/dbraw/zinc/19/96/81/605199681.db2.gz WZWLYCFHJFORBB-RYUDHWBXSA-N -1 0 352.347 -0.163 20 0 FBADRM Cn1cc(N2CCC[C@@H](OC(=O)[C@H]3CN(C(=O)[O-])CCO3)C2=O)cn1 ZINC000831009532 605199888 /nfs/dbraw/zinc/19/98/88/605199888.db2.gz WZWLYCFHJFORBB-VXGBXAGGSA-N -1 0 352.347 -0.163 20 0 FBADRM CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000831010762 601495268 /nfs/dbraw/zinc/49/52/68/601495268.db2.gz CTIWAPWMXMYUOJ-GFCCVEGCSA-N -1 0 363.370 -0.005 20 0 FBADRM CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000831010763 601495232 /nfs/dbraw/zinc/49/52/32/601495232.db2.gz CTIWAPWMXMYUOJ-LBPRGKRZSA-N -1 0 363.370 -0.005 20 0 FBADRM CNC(=O)c1ccc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000831011578 600704195 /nfs/dbraw/zinc/70/41/95/600704195.db2.gz QDYDMGGRPSVHLP-UHFFFAOYSA-N -1 0 352.372 -0.194 20 0 FBADRM C[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)C[C@@H]1C(=O)[O-] ZINC000831012263 661143836 /nfs/dbraw/zinc/14/38/36/661143836.db2.gz MVZOCUXVUJBTMA-NEPJUHHUSA-N -1 0 363.436 -0.599 20 0 FBADRM C[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)C[C@H]1C(=O)[O-] ZINC000831012264 661143854 /nfs/dbraw/zinc/14/38/54/661143854.db2.gz MVZOCUXVUJBTMA-NWDGAFQWSA-N -1 0 363.436 -0.599 20 0 FBADRM C[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)C[C@@H]1C(=O)[O-] ZINC000831012265 661143913 /nfs/dbraw/zinc/14/39/13/661143913.db2.gz MVZOCUXVUJBTMA-RYUDHWBXSA-N -1 0 363.436 -0.599 20 0 FBADRM C[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)C[C@H]1C(=O)[O-] ZINC000831012266 661143954 /nfs/dbraw/zinc/14/39/54/661143954.db2.gz MVZOCUXVUJBTMA-VXGBXAGGSA-N -1 0 363.436 -0.599 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000831013060 661143861 /nfs/dbraw/zinc/14/38/61/661143861.db2.gz XRIUSPXRGZCLHO-UHFFFAOYSA-N -1 0 363.436 -0.455 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)CC2(NC(=O)[O-])CCC2)cn1 ZINC000831013808 604230877 /nfs/dbraw/zinc/23/08/77/604230877.db2.gz AEFQKFHAAGRRTG-UHFFFAOYSA-N -1 0 360.392 -0.178 20 0 FBADRM Cn1cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(=O)n(C)c1=O ZINC000831013835 603140864 /nfs/dbraw/zinc/14/08/64/603140864.db2.gz BAGIQSFGVRXDND-PBINXNQUSA-N -1 0 372.403 -0.964 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)cn1 ZINC000831013901 605894681 /nfs/dbraw/zinc/89/46/81/605894681.db2.gz DVUKVQDBUIIJTD-SNVBAGLBSA-N -1 0 362.408 -0.076 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])cn1 ZINC000831013981 604019884 /nfs/dbraw/zinc/01/98/84/604019884.db2.gz IBGGBQNTOZSHDS-MNOVXSKESA-N -1 0 371.419 -0.558 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)[C@H]2CCCCN2C(=O)[O-])cn1 ZINC000831013982 603817314 /nfs/dbraw/zinc/81/73/14/603817314.db2.gz ICWFAFMSBXEGRV-LLVKDONJSA-N -1 0 360.392 -0.226 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)[C@@H]2CCCCN2C(=O)[O-])cn1 ZINC000831013983 603821572 /nfs/dbraw/zinc/82/15/72/603821572.db2.gz ICWFAFMSBXEGRV-NSHDSACASA-N -1 0 360.392 -0.226 20 0 FBADRM Cn1cc(NC(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)cn1 ZINC000831014015 603982868 /nfs/dbraw/zinc/98/28/68/603982868.db2.gz JCYMUJQTVQLOFY-UHFFFAOYSA-N -1 0 372.407 -0.738 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)C3(NC(=O)[O-])CC3)CC2)cn1 ZINC000831014033 604471947 /nfs/dbraw/zinc/47/19/47/604471947.db2.gz KAOKAORCPPSZAI-UHFFFAOYSA-N -1 0 371.419 -0.510 20 0 FBADRM Cn1cc(S(=O)(=O)NCCN2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])cn1 ZINC000831014034 603983868 /nfs/dbraw/zinc/98/38/68/603983868.db2.gz KBGNZMRFLQZLSY-NEPJUHHUSA-N -1 0 357.436 -0.085 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)c2ccc(CNC(=O)[O-])o2)cn1 ZINC000831014051 604017853 /nfs/dbraw/zinc/01/78/53/604017853.db2.gz KTNLCNOBLSLIJQ-UHFFFAOYSA-N -1 0 372.359 -0.084 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[O-])CC2(C)C)cn1 ZINC000831014103 603945719 /nfs/dbraw/zinc/94/57/19/603945719.db2.gz MXBQUNGWTGDVPG-UHFFFAOYSA-N -1 0 359.408 -0.701 20 0 FBADRM Cn1cc(S(=O)(=O)NCCCN2CCN(C(=O)[O-])CC2)cc1C(N)=O ZINC000831014112 603911911 /nfs/dbraw/zinc/91/19/11/603911911.db2.gz NBBHJRISQYKVMO-UHFFFAOYSA-N -1 0 373.435 -0.912 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)cn1 ZINC000831014165 603785703 /nfs/dbraw/zinc/78/57/03/603785703.db2.gz OTYUCQWJPJAEJS-GFCCVEGCSA-N -1 0 364.355 -0.666 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)[C@]2(F)CCN(C(=O)[O-])C2)cn1 ZINC000831014166 603786000 /nfs/dbraw/zinc/78/60/00/603786000.db2.gz OTYUCQWJPJAEJS-LBPRGKRZSA-N -1 0 364.355 -0.666 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)C[C@@H]2CCCN2C(=O)[O-])cn1 ZINC000831014182 603947342 /nfs/dbraw/zinc/94/73/42/603947342.db2.gz PFUNJOWBYOQLCB-JTQLQIEISA-N -1 0 360.392 -0.226 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)C[C@H]2CCCN2C(=O)[O-])cn1 ZINC000831014183 603947290 /nfs/dbraw/zinc/94/72/90/603947290.db2.gz PFUNJOWBYOQLCB-SNVBAGLBSA-N -1 0 360.392 -0.226 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])c(=O)n(C)c1=O ZINC000831014189 603137021 /nfs/dbraw/zinc/13/70/21/603137021.db2.gz PIMZNRINYUDOAK-NXEZZACHSA-N -1 0 374.419 -0.811 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])c(=O)n(C)c1=O ZINC000831014190 603137062 /nfs/dbraw/zinc/13/70/62/603137062.db2.gz PIMZNRINYUDOAK-UWVGGRQHSA-N -1 0 374.419 -0.811 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])c(=O)n(C)c1=O ZINC000831014191 603137024 /nfs/dbraw/zinc/13/70/24/603137024.db2.gz PIMZNRINYUDOAK-VHSXEESVSA-N -1 0 374.419 -0.811 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])c(=O)n(C)c1=O ZINC000831014192 603137133 /nfs/dbraw/zinc/13/71/33/603137133.db2.gz PIMZNRINYUDOAK-ZJUUUORDSA-N -1 0 374.419 -0.811 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])cn1 ZINC000831014200 603847321 /nfs/dbraw/zinc/84/73/21/603847321.db2.gz PNVQLXHJJYYKPZ-GHMZBOCLSA-N -1 0 360.392 -0.322 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])cn1 ZINC000831014201 603847451 /nfs/dbraw/zinc/84/74/51/603847451.db2.gz PNVQLXHJJYYKPZ-MNOVXSKESA-N -1 0 360.392 -0.322 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])cn1 ZINC000831014302 603847339 /nfs/dbraw/zinc/84/73/39/603847339.db2.gz PNVQLXHJJYYKPZ-QWRGUYRKSA-N -1 0 360.392 -0.322 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])cn1 ZINC000831014303 603847549 /nfs/dbraw/zinc/84/75/49/603847549.db2.gz PNVQLXHJJYYKPZ-WDEREUQCSA-N -1 0 360.392 -0.322 20 0 FBADRM Cn1cc(S(=O)(=O)NCCN2CCN(C(=O)[O-])CC2)nc1Cl ZINC000831014335 605183536 /nfs/dbraw/zinc/18/35/36/605183536.db2.gz QTFKAJFZHYXWIR-UHFFFAOYSA-N -1 0 351.816 -0.353 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)C2CCN(C(=O)[O-])CC2)cn1 ZINC000831014354 603630917 /nfs/dbraw/zinc/63/09/17/603630917.db2.gz QYYJJKIHYFFUEL-UHFFFAOYSA-N -1 0 360.392 -0.368 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)nc1Cl ZINC000831014440 605183086 /nfs/dbraw/zinc/18/30/86/605183086.db2.gz VAFJCXFLDJCSDF-UHFFFAOYSA-N -1 0 365.799 -0.826 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)cn1 ZINC000831014574 605466098 /nfs/dbraw/zinc/46/60/98/605466098.db2.gz WGALYERHAGAROK-LLVKDONJSA-N -1 0 371.419 -0.558 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N(C2CC2)[C@H]2CCN(C(=O)[O-])C2)cn1 ZINC000831014577 605466474 /nfs/dbraw/zinc/46/64/74/605466474.db2.gz WGALYERHAGAROK-NSHDSACASA-N -1 0 371.419 -0.558 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)[C@]2(C)CCN(C(=O)[O-])C2)cn1 ZINC000831014603 604118574 /nfs/dbraw/zinc/11/85/74/604118574.db2.gz WMQSEKFKKPEDNN-CYBMUJFWSA-N -1 0 360.392 -0.368 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)cn1 ZINC000831014605 604118614 /nfs/dbraw/zinc/11/86/14/604118614.db2.gz WMQSEKFKKPEDNN-ZDUSSCGKSA-N -1 0 360.392 -0.368 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)cn1 ZINC000831014669 604053795 /nfs/dbraw/zinc/05/37/95/604053795.db2.gz XGROYEYRVGGUDB-NXEZZACHSA-N -1 0 360.392 -0.322 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)cn1 ZINC000831014671 604054065 /nfs/dbraw/zinc/05/40/65/604054065.db2.gz XGROYEYRVGGUDB-UWVGGRQHSA-N -1 0 360.392 -0.322 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)cn1 ZINC000831014672 604054259 /nfs/dbraw/zinc/05/42/59/604054259.db2.gz XGROYEYRVGGUDB-VHSXEESVSA-N -1 0 360.392 -0.322 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)cn1 ZINC000831014673 604054270 /nfs/dbraw/zinc/05/42/70/604054270.db2.gz XGROYEYRVGGUDB-ZJUUUORDSA-N -1 0 360.392 -0.322 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)C2(NC(=O)[O-])CCCC2)cn1 ZINC000831014712 603810697 /nfs/dbraw/zinc/81/06/97/603810697.db2.gz XOHHBSDORURLGN-UHFFFAOYSA-N -1 0 360.392 -0.178 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)[C@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000831014773 603620388 /nfs/dbraw/zinc/62/03/88/603620388.db2.gz ZPXKNTXERWOOGT-JTQLQIEISA-N -1 0 360.392 -0.368 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)[C@@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000831014774 603620856 /nfs/dbraw/zinc/62/08/56/603620856.db2.gz ZPXKNTXERWOOGT-SNVBAGLBSA-N -1 0 360.392 -0.368 20 0 FBADRM CNC(=O)c1cccc(CCNS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000831015733 600757425 /nfs/dbraw/zinc/75/74/25/600757425.db2.gz DIBZIKPEUYFSCX-UHFFFAOYSA-N -1 0 366.399 -0.152 20 0 FBADRM Cn1ccc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)c1 ZINC000831018442 604387865 /nfs/dbraw/zinc/38/78/65/604387865.db2.gz HQCAOAAQLHFTSQ-UHFFFAOYSA-N -1 0 356.404 -0.525 20 0 FBADRM Cn1ccc(CN2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)cc1=O ZINC000831018694 603919030 /nfs/dbraw/zinc/91/90/30/603919030.db2.gz NPCUIHMLNRRMMR-UHFFFAOYSA-N -1 0 370.431 -0.805 20 0 FBADRM Cn1cc(S(=O)(=O)Oc2cccc(NC(=O)[O-])c2)c(=O)n(C)c1=O ZINC000831019201 603134371 /nfs/dbraw/zinc/13/43/71/603134371.db2.gz YWSSRHQZLZKDSG-UHFFFAOYSA-N -1 0 355.328 -0.058 20 0 FBADRM CNC(=O)c1cncc(/C=C\C(=O)OCCc2cn(CC(=O)[O-])nn2)c1 ZINC000831019547 604697453 /nfs/dbraw/zinc/69/74/53/604697453.db2.gz BSYFAPLUAOLYGO-IHWYPQMZSA-N -1 0 359.342 -0.084 20 0 FBADRM CNC(=O)c1cncc(/C=C/C(=O)OCCc2cn(CC(=O)[O-])nn2)c1 ZINC000831019548 604697724 /nfs/dbraw/zinc/69/77/24/604697724.db2.gz BSYFAPLUAOLYGO-NSCUHMNNSA-N -1 0 359.342 -0.084 20 0 FBADRM CNC(=O)c1cccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1C ZINC000831019565 601491690 /nfs/dbraw/zinc/49/16/90/601491690.db2.gz CUHIXAWPBIHDAG-LLVKDONJSA-N -1 0 363.370 -0.005 20 0 FBADRM CNC(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1C ZINC000831019566 601491699 /nfs/dbraw/zinc/49/16/99/601491699.db2.gz CUHIXAWPBIHDAG-NSHDSACASA-N -1 0 363.370 -0.005 20 0 FBADRM CNC(=O)c1cccc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000831019597 600704656 /nfs/dbraw/zinc/70/46/56/600704656.db2.gz DPBQBHWGGYQZOH-UHFFFAOYSA-N -1 0 352.372 -0.194 20 0 FBADRM CNC(=O)c1nn(CN2CCO[C@H](CC(=O)[O-])C2)c(=O)c2ccccc21 ZINC000831020418 601374303 /nfs/dbraw/zinc/37/43/03/601374303.db2.gz TXTZRHQVVSQSMU-LLVKDONJSA-N -1 0 360.370 -0.111 20 0 FBADRM CNC(=O)c1nn(CN2CCO[C@@H](CC(=O)[O-])C2)c(=O)c2ccccc21 ZINC000831020420 601374132 /nfs/dbraw/zinc/37/41/32/601374132.db2.gz TXTZRHQVVSQSMU-NSHDSACASA-N -1 0 360.370 -0.111 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)C[C@@H]3CN(C(=O)[O-])CCO3)C2=O)n1 ZINC000831022030 604875539 /nfs/dbraw/zinc/87/55/39/604875539.db2.gz AEDKXKKNVKMOFW-NEPJUHHUSA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1ccc(N2CCC[C@@H](NC(=O)C[C@H]3CN(C(=O)[O-])CCO3)C2=O)n1 ZINC000831022032 604875136 /nfs/dbraw/zinc/87/51/36/604875136.db2.gz AEDKXKKNVKMOFW-NWDGAFQWSA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)C[C@H]3CN(C(=O)[O-])CCO3)C2=O)n1 ZINC000831022034 604875488 /nfs/dbraw/zinc/87/54/88/604875488.db2.gz AEDKXKKNVKMOFW-RYUDHWBXSA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1ccc(N2CCC[C@@H](NC(=O)C[C@@H]3CN(C(=O)[O-])CCO3)C2=O)n1 ZINC000831022036 604875059 /nfs/dbraw/zinc/87/50/59/604875059.db2.gz AEDKXKKNVKMOFW-VXGBXAGGSA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1ccc(NC(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)n1 ZINC000831022269 604008609 /nfs/dbraw/zinc/00/86/09/604008609.db2.gz DFBYLUCEAXWIHR-UHFFFAOYSA-N -1 0 372.407 -0.738 20 0 FBADRM Cn1cccc(NC(=O)C(=O)NCCCN2CCN(C(=O)[O-])CC2)c1=O ZINC000831022271 604148202 /nfs/dbraw/zinc/14/82/02/604148202.db2.gz DFGXDJBJXGPKGL-UHFFFAOYSA-N -1 0 365.390 -0.874 20 0 FBADRM Cn1ccc(N2CCC[C@@H](NC(=O)N3CC[C@@H](NC(=O)[O-])C3)C2=O)n1 ZINC000831022331 604607972 /nfs/dbraw/zinc/60/79/72/604607972.db2.gz FLWSCZUXMBGFQL-GHMZBOCLSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H](NC(=O)[O-])C3)C2=O)n1 ZINC000831022332 604607538 /nfs/dbraw/zinc/60/75/38/604607538.db2.gz FLWSCZUXMBGFQL-MNOVXSKESA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)N3CC[C@H](NC(=O)[O-])C3)C2=O)n1 ZINC000831022333 605106228 /nfs/dbraw/zinc/10/62/28/605106228.db2.gz FLWSCZUXMBGFQL-QWRGUYRKSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1ccc(N2CCC[C@@H](NC(=O)N3CC[C@H](NC(=O)[O-])C3)C2=O)n1 ZINC000831022334 605106200 /nfs/dbraw/zinc/10/62/00/605106200.db2.gz FLWSCZUXMBGFQL-WDEREUQCSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1ccc(N2CCC[C@@H](NC(=O)[C@H]3CN(C(=O)[O-])CCO3)C2=O)n1 ZINC000831022480 604875577 /nfs/dbraw/zinc/87/55/77/604875577.db2.gz INAPVFBFKCUEHD-GHMZBOCLSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CN(C(=O)[O-])CCO3)C2=O)n1 ZINC000831022483 604875420 /nfs/dbraw/zinc/87/54/20/604875420.db2.gz INAPVFBFKCUEHD-MNOVXSKESA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)[C@@H]3CN(C(=O)[O-])CCO3)C2=O)n1 ZINC000831022485 604875169 /nfs/dbraw/zinc/87/51/69/604875169.db2.gz INAPVFBFKCUEHD-QWRGUYRKSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)[C@H]3CN(C(=O)[O-])CCO3)C2=O)n1 ZINC000831022487 604875042 /nfs/dbraw/zinc/87/50/42/604875042.db2.gz INAPVFBFKCUEHD-WDEREUQCSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1ccc(N2CCC[C@@H](NC(=O)COC3CN(C(=O)[O-])C3)C2=O)n1 ZINC000831022525 604020438 /nfs/dbraw/zinc/02/04/38/604020438.db2.gz JAZBLWJJXUCZOD-LLVKDONJSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)COC3CN(C(=O)[O-])C3)C2=O)n1 ZINC000831022527 604020261 /nfs/dbraw/zinc/02/02/61/604020261.db2.gz JAZBLWJJXUCZOD-NSHDSACASA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1ccc(N2CCC[C@@H](OC(=O)[C@H]3CN(C(=O)[O-])CCO3)C2=O)n1 ZINC000831022682 605204428 /nfs/dbraw/zinc/20/44/28/605204428.db2.gz MYPCFUROJBZXGM-GHMZBOCLSA-N -1 0 352.347 -0.163 20 0 FBADRM Cn1ccc(N2CCC[C@@H](OC(=O)[C@@H]3CN(C(=O)[O-])CCO3)C2=O)n1 ZINC000831022683 605204877 /nfs/dbraw/zinc/20/48/77/605204877.db2.gz MYPCFUROJBZXGM-MNOVXSKESA-N -1 0 352.347 -0.163 20 0 FBADRM Cn1ccc(N2CCC[C@H](OC(=O)[C@@H]3CN(C(=O)[O-])CCO3)C2=O)n1 ZINC000831022684 605204361 /nfs/dbraw/zinc/20/43/61/605204361.db2.gz MYPCFUROJBZXGM-QWRGUYRKSA-N -1 0 352.347 -0.163 20 0 FBADRM Cn1ccc(N2CCC[C@H](OC(=O)[C@H]3CN(C(=O)[O-])CCO3)C2=O)n1 ZINC000831022685 605204523 /nfs/dbraw/zinc/20/45/23/605204523.db2.gz MYPCFUROJBZXGM-WDEREUQCSA-N -1 0 352.347 -0.163 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])C2=O)n1 ZINC000831022762 603855396 /nfs/dbraw/zinc/85/53/96/603855396.db2.gz OQEDJZJBADMPKZ-DCAQKATOSA-N -1 0 351.363 -0.855 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])C2=O)n1 ZINC000831022763 603855196 /nfs/dbraw/zinc/85/51/96/603855196.db2.gz OQEDJZJBADMPKZ-GARJFASQSA-N -1 0 351.363 -0.855 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])C2=O)n1 ZINC000831022764 603855233 /nfs/dbraw/zinc/85/52/33/603855233.db2.gz OQEDJZJBADMPKZ-OUAUKWLOSA-N -1 0 351.363 -0.855 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])C2=O)n1 ZINC000831022765 603855047 /nfs/dbraw/zinc/85/50/47/603855047.db2.gz OQEDJZJBADMPKZ-VWYCJHECSA-N -1 0 351.363 -0.855 20 0 FBADRM Cn1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CCN(C(=O)[O-])C3)C2=O)n1 ZINC000831022830 603788624 /nfs/dbraw/zinc/78/86/24/603788624.db2.gz QEDJFVRGXKJMAQ-GHMZBOCLSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCN(C(=O)[O-])C3)C2=O)n1 ZINC000831022831 603788772 /nfs/dbraw/zinc/78/87/72/603788772.db2.gz QEDJFVRGXKJMAQ-MNOVXSKESA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCN(C(=O)[O-])C3)C2=O)n1 ZINC000831022832 603788548 /nfs/dbraw/zinc/78/85/48/603788548.db2.gz QEDJFVRGXKJMAQ-QWRGUYRKSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CCN(C(=O)[O-])C3)C2=O)n1 ZINC000831022833 603788483 /nfs/dbraw/zinc/78/84/83/603788483.db2.gz QEDJFVRGXKJMAQ-WDEREUQCSA-N -1 0 350.379 -0.033 20 0 FBADRM Cn1ccc(N2CCC[C@@H](OC(=O)COC3CN(C(=O)[O-])C3)C2=O)n1 ZINC000831022982 603443739 /nfs/dbraw/zinc/44/37/39/603443739.db2.gz USMRDXRNRUPYKH-LLVKDONJSA-N -1 0 352.347 -0.163 20 0 FBADRM Cn1ccc(N2CCC[C@H](OC(=O)COC3CN(C(=O)[O-])C3)C2=O)n1 ZINC000831022983 603443513 /nfs/dbraw/zinc/44/35/13/603443513.db2.gz USMRDXRNRUPYKH-NSHDSACASA-N -1 0 352.347 -0.163 20 0 FBADRM Cn1ccc(N2CCC[C@@H](NC(=O)N3CCN(C(=O)[O-])CC3)C2=O)n1 ZINC000831023178 604230081 /nfs/dbraw/zinc/23/00/81/604230081.db2.gz YCNJPACVHBZEHF-LLVKDONJSA-N -1 0 350.379 -0.079 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)N3CCN(C(=O)[O-])CC3)C2=O)n1 ZINC000831023179 604230025 /nfs/dbraw/zinc/23/00/25/604230025.db2.gz YCNJPACVHBZEHF-NSHDSACASA-N -1 0 350.379 -0.079 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1 ZINC000831024107 600782618 /nfs/dbraw/zinc/78/26/18/600782618.db2.gz CGQCRJWSFGMGAB-SECBINFHSA-N -1 0 365.433 -0.574 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1 ZINC000831024110 600782527 /nfs/dbraw/zinc/78/25/27/600782527.db2.gz CGQCRJWSFGMGAB-VIFPVBQESA-N -1 0 365.433 -0.574 20 0 FBADRM CNS(=O)(=O)C1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000831024197 600781575 /nfs/dbraw/zinc/78/15/75/600781575.db2.gz DCZVBFOXOFVECW-UHFFFAOYSA-N -1 0 365.433 -0.574 20 0 FBADRM CNS(=O)(=O)CC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000831024281 601341567 /nfs/dbraw/zinc/34/15/67/601341567.db2.gz DOGYPDBEZGPTEC-LLVKDONJSA-N -1 0 355.416 -0.029 20 0 FBADRM CNS(=O)(=O)CC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000831024282 601341536 /nfs/dbraw/zinc/34/15/36/601341536.db2.gz DOGYPDBEZGPTEC-NSHDSACASA-N -1 0 355.416 -0.029 20 0 FBADRM CNS(=O)(=O)CC(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000831024283 601342319 /nfs/dbraw/zinc/34/23/19/601342319.db2.gz DQEDOCXYVVKTNX-MRVPVSSYSA-N -1 0 361.401 -0.783 20 0 FBADRM CNS(=O)(=O)CC(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000831024284 601342651 /nfs/dbraw/zinc/34/26/51/601342651.db2.gz DQEDOCXYVVKTNX-QMMMGPOBSA-N -1 0 361.401 -0.783 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000831024295 600748861 /nfs/dbraw/zinc/74/88/61/600748861.db2.gz DXEIZZYIXAWHCJ-MRVPVSSYSA-N -1 0 351.406 -0.585 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000831024296 600748762 /nfs/dbraw/zinc/74/87/62/600748762.db2.gz DXEIZZYIXAWHCJ-QMMMGPOBSA-N -1 0 351.406 -0.585 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000831024331 601221176 /nfs/dbraw/zinc/22/11/76/601221176.db2.gz FVEADYOWKUKOAK-SECBINFHSA-N -1 0 366.417 -0.011 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000831024332 601221277 /nfs/dbraw/zinc/22/12/77/601221277.db2.gz FVEADYOWKUKOAK-VIFPVBQESA-N -1 0 366.417 -0.011 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000831024339 601521060 /nfs/dbraw/zinc/52/10/60/601521060.db2.gz FYEKMCNGHRRYSA-JTQLQIEISA-N -1 0 354.450 -0.415 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000831024340 601520993 /nfs/dbraw/zinc/52/09/93/601520993.db2.gz FYEKMCNGHRRYSA-SNVBAGLBSA-N -1 0 354.450 -0.415 20 0 FBADRM CNS(=O)(=O)CC(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC000831024367 601308429 /nfs/dbraw/zinc/30/84/29/601308429.db2.gz GTHTXDDSVHIKOB-UHFFFAOYSA-N -1 0 357.388 -0.291 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000831024879 601578382 /nfs/dbraw/zinc/57/83/82/601578382.db2.gz KAIPKGDWLVUMLY-SSDOTTSWSA-N -1 0 369.446 -0.456 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000831024884 601578496 /nfs/dbraw/zinc/57/84/96/601578496.db2.gz KAIPKGDWLVUMLY-ZETCQYMHSA-N -1 0 369.446 -0.456 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000831025293 601386665 /nfs/dbraw/zinc/38/66/65/601386665.db2.gz PWGGSLWFLPIVGM-AAEUAGOBSA-N -1 0 361.464 -0.288 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000831025295 601386805 /nfs/dbraw/zinc/38/68/05/601386805.db2.gz PWGGSLWFLPIVGM-DGCLKSJQSA-N -1 0 361.464 -0.288 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000831025297 601386679 /nfs/dbraw/zinc/38/66/79/601386679.db2.gz PWGGSLWFLPIVGM-WCQYABFASA-N -1 0 361.464 -0.288 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000831025299 601386637 /nfs/dbraw/zinc/38/66/37/601386637.db2.gz PWGGSLWFLPIVGM-YPMHNXCESA-N -1 0 361.464 -0.288 20 0 FBADRM CNS(=O)(=O)C1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC000831025627 601514481 /nfs/dbraw/zinc/51/44/81/601514481.db2.gz VEMNZCYCSPUUGF-UHFFFAOYSA-N -1 0 354.450 -0.415 20 0 FBADRM CNS(=O)(=O)CC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000831025630 602256746 /nfs/dbraw/zinc/25/67/46/602256746.db2.gz VGNGBWMYZYEJLY-UHFFFAOYSA-N -1 0 350.374 -0.724 20 0 FBADRM CNS(=O)(=O)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000831025757 601307904 /nfs/dbraw/zinc/30/79/04/601307904.db2.gz XHNRXIXMTBXZGR-JTQLQIEISA-N -1 0 360.388 -0.115 20 0 FBADRM CNS(=O)(=O)CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000831025759 601308164 /nfs/dbraw/zinc/30/81/64/601308164.db2.gz XHNRXIXMTBXZGR-SNVBAGLBSA-N -1 0 360.388 -0.115 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(c2cc(C)nc3nc(C(=O)[O-])nn32)C1 ZINC000831025773 600814010 /nfs/dbraw/zinc/81/40/10/600814010.db2.gz XPPLXDICHAKZFY-SECBINFHSA-N -1 0 354.392 -0.351 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(c2cc(C)nc3nc(C(=O)[O-])nn32)C1 ZINC000831025774 600813674 /nfs/dbraw/zinc/81/36/74/600813674.db2.gz XPPLXDICHAKZFY-VIFPVBQESA-N -1 0 354.392 -0.351 20 0 FBADRM CNS(=O)(=O)C1CCN(S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000831025780 601221190 /nfs/dbraw/zinc/22/11/90/601221190.db2.gz XTPZNGGHQVBLKJ-UHFFFAOYSA-N -1 0 366.417 -0.011 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000831025781 601387098 /nfs/dbraw/zinc/38/70/98/601387098.db2.gz XTUNCTKXDMCKBZ-GFCCVEGCSA-N -1 0 361.464 -0.096 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000831025782 601387312 /nfs/dbraw/zinc/38/73/12/601387312.db2.gz XTUNCTKXDMCKBZ-LBPRGKRZSA-N -1 0 361.464 -0.096 20 0 FBADRM CNS(=O)(=O)CC(=O)N(CC(=O)[O-])Cc1cc(OC)cc(OC)c1 ZINC000831025829 601341425 /nfs/dbraw/zinc/34/14/25/601341425.db2.gz YZTZUEVARNWAFY-UHFFFAOYSA-N -1 0 360.388 -0.334 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000831025842 601373370 /nfs/dbraw/zinc/37/33/70/601373370.db2.gz ZKNJEAKRYSJBDO-GFCCVEGCSA-N -1 0 369.399 -0.137 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000831025843 601373533 /nfs/dbraw/zinc/37/35/33/601373533.db2.gz ZKNJEAKRYSJBDO-LBPRGKRZSA-N -1 0 369.399 -0.137 20 0 FBADRM CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC000831025854 601515628 /nfs/dbraw/zinc/51/56/28/601515628.db2.gz ZUYDMDXXFNNMRC-JTQLQIEISA-N -1 0 354.450 -0.415 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC000831025855 601515761 /nfs/dbraw/zinc/51/57/61/601515761.db2.gz ZUYDMDXXFNNMRC-SNVBAGLBSA-N -1 0 354.450 -0.415 20 0 FBADRM Cn1cccc1C(=O)N1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000831026485 603979630 /nfs/dbraw/zinc/97/96/30/603979630.db2.gz CXNLYSFONDGWFU-UHFFFAOYSA-N -1 0 350.375 -0.312 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)CC2)c1=O ZINC000831026492 604881213 /nfs/dbraw/zinc/88/12/13/604881213.db2.gz DANOCTVZZGNCSM-GFCCVEGCSA-N -1 0 365.390 -0.802 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)C[C@H]3CN(C(=O)[O-])CCO3)CC2)c1=O ZINC000831026496 604881118 /nfs/dbraw/zinc/88/11/18/604881118.db2.gz DANOCTVZZGNCSM-LBPRGKRZSA-N -1 0 365.390 -0.802 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)[O-])CC2)c1=O ZINC000831026514 603726066 /nfs/dbraw/zinc/72/60/66/603726066.db2.gz DGDAQTOVGZWYOG-JTQLQIEISA-N -1 0 353.404 -0.518 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)[C@H]3CSCN3C(=O)[O-])CC2)c1=O ZINC000831026515 603726101 /nfs/dbraw/zinc/72/61/01/603726101.db2.gz DGDAQTOVGZWYOG-SNVBAGLBSA-N -1 0 353.404 -0.518 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)[C@]3(F)CCN(C(=O)[O-])C3)CC2)c1=O ZINC000831026537 603942471 /nfs/dbraw/zinc/94/24/71/603942471.db2.gz DYTGOQIFSCJTAN-HNNXBMFYSA-N -1 0 353.354 -0.479 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)[C@@]3(F)CCN(C(=O)[O-])C3)CC2)c1=O ZINC000831026538 603942586 /nfs/dbraw/zinc/94/25/86/603942586.db2.gz DYTGOQIFSCJTAN-OAHLLOKOSA-N -1 0 353.354 -0.479 20 0 FBADRM Cn1cccc1C(=O)CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000831026695 604100322 /nfs/dbraw/zinc/10/03/22/604100322.db2.gz KJXVKPOKLIKTMZ-UHFFFAOYSA-N -1 0 370.431 -0.483 20 0 FBADRM Cn1cccc1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000831026767 603554097 /nfs/dbraw/zinc/55/40/97/603554097.db2.gz LXUIQIJMICSQIV-UHFFFAOYSA-N -1 0 356.404 -0.525 20 0 FBADRM Cn1cccc1C(=O)N1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000831027424 604718741 /nfs/dbraw/zinc/71/87/41/604718741.db2.gz ZKSUYCQNAQBBMT-CYBMUJFWSA-N -1 0 350.375 -0.312 20 0 FBADRM Cn1cccc1C(=O)N1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000831027425 604718598 /nfs/dbraw/zinc/71/85/98/604718598.db2.gz ZKSUYCQNAQBBMT-ZDUSSCGKSA-N -1 0 350.375 -0.312 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC000831028881 601584265 /nfs/dbraw/zinc/58/42/65/601584265.db2.gz BVRDWZUOJBQCNW-SSDOTTSWSA-N -1 0 369.446 -0.456 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1csnc1C(=O)[O-] ZINC000831028883 601584295 /nfs/dbraw/zinc/58/42/95/601584295.db2.gz BVRDWZUOJBQCNW-ZETCQYMHSA-N -1 0 369.446 -0.456 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000831028894 601378922 /nfs/dbraw/zinc/37/89/22/601378922.db2.gz CAGLPJQSPZSMHE-MRVPVSSYSA-N -1 0 366.421 -0.881 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000831028898 601378966 /nfs/dbraw/zinc/37/89/66/601378966.db2.gz CAGLPJQSPZSMHE-QMMMGPOBSA-N -1 0 366.421 -0.881 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N(CC(=O)[O-])CC(=O)OC)ccc1F ZINC000831029111 601624306 /nfs/dbraw/zinc/62/43/06/601624306.db2.gz GVKZAGKOCQUKBA-UHFFFAOYSA-N -1 0 362.335 -0.566 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N[C@H](CC(=O)OC)C(=O)[O-])ccc1F ZINC000831029150 601648541 /nfs/dbraw/zinc/64/85/41/601648541.db2.gz JCFSSDREBACRNZ-SECBINFHSA-N -1 0 362.335 -0.520 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N[C@@H](CC(=O)OC)C(=O)[O-])ccc1F ZINC000831029155 601648368 /nfs/dbraw/zinc/64/83/68/601648368.db2.gz JCFSSDREBACRNZ-VIFPVBQESA-N -1 0 362.335 -0.520 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNS(=O)(=O)C[C@H](C)C(=O)[O-])cc1 ZINC000831029197 601273913 /nfs/dbraw/zinc/27/39/13/601273913.db2.gz KCVWKYRJUZQURE-JTQLQIEISA-N -1 0 364.445 -0.124 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNS(=O)(=O)C[C@@H](C)C(=O)[O-])cc1 ZINC000831029199 601274210 /nfs/dbraw/zinc/27/42/10/601274210.db2.gz KCVWKYRJUZQURE-SNVBAGLBSA-N -1 0 364.445 -0.124 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000831029238 601379409 /nfs/dbraw/zinc/37/94/09/601379409.db2.gz MAHZHEKEBBZHPS-LLVKDONJSA-N -1 0 369.465 -0.959 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000831029240 601379287 /nfs/dbraw/zinc/37/92/87/601379287.db2.gz MAHZHEKEBBZHPS-NSHDSACASA-N -1 0 369.465 -0.959 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N[C@H](CC(=O)[O-])C(=O)OC)ccc1F ZINC000831029312 601648375 /nfs/dbraw/zinc/64/83/75/601648375.db2.gz NRNFYLVUAZEXBX-SECBINFHSA-N -1 0 362.335 -0.520 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)ccc1F ZINC000831029313 601648356 /nfs/dbraw/zinc/64/83/56/601648356.db2.gz NRNFYLVUAZEXBX-VIFPVBQESA-N -1 0 362.335 -0.520 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000831029342 601379234 /nfs/dbraw/zinc/37/92/34/601379234.db2.gz PBBMZNUGZXOXLB-SECBINFHSA-N -1 0 365.433 -0.574 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000831029343 601379446 /nfs/dbraw/zinc/37/94/46/601379446.db2.gz PBBMZNUGZXOXLB-VIFPVBQESA-N -1 0 365.433 -0.574 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000831029428 601379537 /nfs/dbraw/zinc/37/95/37/601379537.db2.gz RQTITIYOWMQYNC-MRVPVSSYSA-N -1 0 352.390 -0.320 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000831029430 601379390 /nfs/dbraw/zinc/37/93/90/601379390.db2.gz RQTITIYOWMQYNC-QMMMGPOBSA-N -1 0 352.390 -0.320 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1c1cc(C)nc2nc(C(=O)[O-])nn21 ZINC000831029442 601410681 /nfs/dbraw/zinc/41/06/81/601410681.db2.gz RVJJQOXTPXOTHL-SECBINFHSA-N -1 0 354.392 -0.351 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1c1cc(C)nc2nc(C(=O)[O-])nn21 ZINC000831029444 601410531 /nfs/dbraw/zinc/41/05/31/601410531.db2.gz RVJJQOXTPXOTHL-VIFPVBQESA-N -1 0 354.392 -0.351 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)cc1 ZINC000831029567 601195650 /nfs/dbraw/zinc/19/56/50/601195650.db2.gz WIXBGAXARSFANK-UHFFFAOYSA-N -1 0 367.387 -0.658 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)ccc1F ZINC000831029581 601689226 /nfs/dbraw/zinc/68/92/26/601689226.db2.gz XEUXBLZPKBFXPH-UHFFFAOYSA-N -1 0 357.323 -0.269 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000831029605 601225818 /nfs/dbraw/zinc/22/58/18/601225818.db2.gz YSEZLYLVMUFZKI-SECBINFHSA-N -1 0 366.417 -0.011 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000831029606 601226012 /nfs/dbraw/zinc/22/60/12/601226012.db2.gz YSEZLYLVMUFZKI-VIFPVBQESA-N -1 0 366.417 -0.011 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])ccc1F ZINC000831029613 601675414 /nfs/dbraw/zinc/67/54/14/601675414.db2.gz ZPJBAPNDQPZUSD-JTQLQIEISA-N -1 0 373.362 -0.851 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])ccc1F ZINC000831029614 601675396 /nfs/dbraw/zinc/67/53/96/601675396.db2.gz ZPJBAPNDQPZUSD-SNVBAGLBSA-N -1 0 373.362 -0.851 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000831029626 601379482 /nfs/dbraw/zinc/37/94/82/601379482.db2.gz ZZGUPOAGYQWRFF-MRVPVSSYSA-N -1 0 351.406 -0.585 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000831029627 601379282 /nfs/dbraw/zinc/37/92/82/601379282.db2.gz ZZGUPOAGYQWRFF-QMMMGPOBSA-N -1 0 351.406 -0.585 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)N[C@H](CNC(=O)[O-])C3CC3)CC2)c1=O ZINC000831030460 604155562 /nfs/dbraw/zinc/15/55/62/604155562.db2.gz ACHXGKILFNVQNU-GFCCVEGCSA-N -1 0 364.406 -0.342 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)N[C@@H](CNC(=O)[O-])C3CC3)CC2)c1=O ZINC000831030461 604155442 /nfs/dbraw/zinc/15/54/42/604155442.db2.gz ACHXGKILFNVQNU-LBPRGKRZSA-N -1 0 364.406 -0.342 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)N[C@@H]3CCCN(C(=O)[O-])C3)CC2)c1=O ZINC000831030676 604138999 /nfs/dbraw/zinc/13/89/99/604138999.db2.gz DEXDJUPHHJRFSV-GFCCVEGCSA-N -1 0 364.406 -0.246 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)N[C@H]3CCCN(C(=O)[O-])C3)CC2)c1=O ZINC000831030677 605667732 /nfs/dbraw/zinc/66/77/32/605667732.db2.gz DEXDJUPHHJRFSV-LBPRGKRZSA-N -1 0 364.406 -0.246 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)NC[C@H]3CCCN3C(=O)[O-])CC2)c1=O ZINC000831031104 604124015 /nfs/dbraw/zinc/12/40/15/604124015.db2.gz KDEOHHVWSPXKAU-GFCCVEGCSA-N -1 0 364.406 -0.246 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)NC[C@@H]3CCCN3C(=O)[O-])CC2)c1=O ZINC000831031106 604123971 /nfs/dbraw/zinc/12/39/71/604123971.db2.gz KDEOHHVWSPXKAU-LBPRGKRZSA-N -1 0 364.406 -0.246 20 0 FBADRM Cn1ccnc1-c1cc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)n(C)n1 ZINC000831031157 605146991 /nfs/dbraw/zinc/14/69/91/605146991.db2.gz LCPSVRCAVVZETD-UHFFFAOYSA-N -1 0 361.362 -0.419 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)NCC(C)(C)NC(=O)[O-])CC2)c1=O ZINC000831031414 603463652 /nfs/dbraw/zinc/46/36/52/603463652.db2.gz PFQAEOQHWKFYJJ-UHFFFAOYSA-N -1 0 352.395 -0.342 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)NC3CCN(C(=O)[O-])CC3)CC2)c1=O ZINC000831031539 603997536 /nfs/dbraw/zinc/99/75/36/603997536.db2.gz RTTQKPNYEGHTOF-UHFFFAOYSA-N -1 0 364.406 -0.246 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)N[C@@H]3CCN(C(=O)[O-])C3)CC2)c1=O ZINC000831031866 604127920 /nfs/dbraw/zinc/12/79/20/604127920.db2.gz WFNXFKWOXZDHCT-LLVKDONJSA-N -1 0 350.379 -0.636 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)N[C@H]3CCN(C(=O)[O-])C3)CC2)c1=O ZINC000831031867 604127899 /nfs/dbraw/zinc/12/78/99/604127899.db2.gz WFNXFKWOXZDHCT-NSHDSACASA-N -1 0 350.379 -0.636 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)NCCN(C(=O)[O-])C3CC3)CC2)c1=O ZINC000831031883 604107114 /nfs/dbraw/zinc/10/71/14/604107114.db2.gz WSELIKZXDXOKLH-UHFFFAOYSA-N -1 0 364.406 -0.246 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)cc1 ZINC000831033733 604699562 /nfs/dbraw/zinc/69/95/62/604699562.db2.gz CDDDOOGCKBJXHO-UHFFFAOYSA-N -1 0 368.371 -0.330 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)O[C@H](C)c2cn(CC(=O)[O-])nn2)o1 ZINC000831034092 604700090 /nfs/dbraw/zinc/70/00/90/604700090.db2.gz KSDZUCVNERPQJD-SSDOTTSWSA-N -1 0 358.332 -0.218 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2cn(CC(=O)[O-])nn2)o1 ZINC000831034094 604700477 /nfs/dbraw/zinc/70/04/77/604700477.db2.gz KSDZUCVNERPQJD-ZETCQYMHSA-N -1 0 358.332 -0.218 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)OCC(=O)NCCC(=O)[O-])ccc1F ZINC000831034103 601682560 /nfs/dbraw/zinc/68/25/60/601682560.db2.gz KUAXSYLVAFXYEE-UHFFFAOYSA-N -1 0 362.335 -0.519 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)o1 ZINC000831034175 604704116 /nfs/dbraw/zinc/70/41/16/604704116.db2.gz MBMWDABYCWXNNH-UHFFFAOYSA-N -1 0 358.332 -0.737 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)o1 ZINC000831034224 661143814 /nfs/dbraw/zinc/14/38/14/661143814.db2.gz OUBLGBUDTFAZIH-JTQLQIEISA-N -1 0 359.404 -0.191 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)o1 ZINC000831034225 661143926 /nfs/dbraw/zinc/14/39/26/661143926.db2.gz OUBLGBUDTFAZIH-SNVBAGLBSA-N -1 0 359.404 -0.191 20 0 FBADRM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)Cn2cc(C(=O)[O-])nn2)cc1 ZINC000831034237 601281385 /nfs/dbraw/zinc/28/13/85/601281385.db2.gz PLSOFQULOPBEJE-SECBINFHSA-N -1 0 367.387 -0.238 20 0 FBADRM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)Cn2cc(C(=O)[O-])nn2)cc1 ZINC000831034238 601281356 /nfs/dbraw/zinc/28/13/56/601281356.db2.gz PLSOFQULOPBEJE-VIFPVBQESA-N -1 0 367.387 -0.238 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)OCCc2cn(CC(=O)[O-])nn2)c(C)o1 ZINC000831034259 604697469 /nfs/dbraw/zinc/69/74/69/604697469.db2.gz QMMDUCZIMQXBSF-UHFFFAOYSA-N -1 0 372.359 -0.428 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])ccc1F ZINC000831034269 601682572 /nfs/dbraw/zinc/68/25/72/601682572.db2.gz RBTRDHFVXGQXHS-SSDOTTSWSA-N -1 0 362.335 -0.520 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])ccc1F ZINC000831034270 601682630 /nfs/dbraw/zinc/68/26/30/601682630.db2.gz RBTRDHFVXGQXHS-ZETCQYMHSA-N -1 0 362.335 -0.520 20 0 FBADRM CNS(=O)(=O)c1ccc(CNS(=O)(=O)C[C@@H](C)C(=O)[O-])s1 ZINC000831034274 601774533 /nfs/dbraw/zinc/77/45/33/601774533.db2.gz RDGYWTNLHDAMHG-SSDOTTSWSA-N -1 0 356.447 -0.204 20 0 FBADRM CNS(=O)(=O)c1ccc(CNS(=O)(=O)C[C@H](C)C(=O)[O-])s1 ZINC000831034275 601774521 /nfs/dbraw/zinc/77/45/21/601774521.db2.gz RDGYWTNLHDAMHG-ZETCQYMHSA-N -1 0 356.447 -0.204 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)Cn2cc(C(=O)[O-])nn2)ccc1C ZINC000831034366 601194842 /nfs/dbraw/zinc/19/48/42/601194842.db2.gz YFECBGYVIOMZPV-UHFFFAOYSA-N -1 0 353.360 -0.168 20 0 FBADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000831034367 601276713 /nfs/dbraw/zinc/27/67/13/601276713.db2.gz YHGNYNUZNJUKLT-UHFFFAOYSA-N -1 0 353.360 -0.168 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)s1 ZINC000831034381 601273979 /nfs/dbraw/zinc/27/39/79/601273979.db2.gz ZEINHSKUCUNTTG-UHFFFAOYSA-N -1 0 359.389 -0.738 20 0 FBADRM Cn1ccnc1CN1CCN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)CC1 ZINC000831035716 603589317 /nfs/dbraw/zinc/58/93/17/603589317.db2.gz BGHKUBDGXUBVGS-UHFFFAOYSA-N -1 0 362.434 -0.293 20 0 FBADRM Cn1ccnc1CN1CCCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000831035902 604841783 /nfs/dbraw/zinc/84/17/83/604841783.db2.gz CYIXYGUVSAYTFC-CYBMUJFWSA-N -1 0 351.407 -0.167 20 0 FBADRM Cn1ccnc1CN1CCCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000831035903 604841879 /nfs/dbraw/zinc/84/18/79/604841879.db2.gz CYIXYGUVSAYTFC-ZDUSSCGKSA-N -1 0 351.407 -0.167 20 0 FBADRM Cn1ccnc1CN1CCCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000831035954 603761074 /nfs/dbraw/zinc/76/10/74/603761074.db2.gz FHDRZCBNSGKVBQ-CHWSQXEVSA-N -1 0 351.407 -0.432 20 0 FBADRM Cn1ccnc1CN1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000831035955 603761199 /nfs/dbraw/zinc/76/11/99/603761199.db2.gz FHDRZCBNSGKVBQ-OLZOCXBDSA-N -1 0 351.407 -0.432 20 0 FBADRM Cn1ccnc1CN1CCCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000831035956 603760923 /nfs/dbraw/zinc/76/09/23/603760923.db2.gz FHDRZCBNSGKVBQ-QWHCGFSZSA-N -1 0 351.407 -0.432 20 0 FBADRM Cn1ccnc1CN1CCCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000831035957 603761086 /nfs/dbraw/zinc/76/10/86/603761086.db2.gz FHDRZCBNSGKVBQ-STQMWFEESA-N -1 0 351.407 -0.432 20 0 FBADRM Cn1ccnc1CN1CCCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000831036200 604001799 /nfs/dbraw/zinc/00/17/99/604001799.db2.gz HDPAAZIYXACSRM-UHFFFAOYSA-N -1 0 351.407 -0.167 20 0 FBADRM Cn1ccnc1[C@H](O)C1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000831036283 605461518 /nfs/dbraw/zinc/46/15/18/605461518.db2.gz ICXXMMIFEORWKQ-FRRDWIJNSA-N -1 0 352.391 -0.195 20 0 FBADRM Cn1ccnc1[C@H](O)C1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000831036284 605461087 /nfs/dbraw/zinc/46/10/87/605461087.db2.gz ICXXMMIFEORWKQ-JHJVBQTASA-N -1 0 352.391 -0.195 20 0 FBADRM Cn1ccnc1[C@H](O)C1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000831036285 605461341 /nfs/dbraw/zinc/46/13/41/605461341.db2.gz ICXXMMIFEORWKQ-RWMBFGLXSA-N -1 0 352.391 -0.195 20 0 FBADRM Cn1ccnc1[C@H](O)C1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000831036286 605461094 /nfs/dbraw/zinc/46/10/94/605461094.db2.gz ICXXMMIFEORWKQ-YNEHKIRRSA-N -1 0 352.391 -0.195 20 0 FBADRM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cn1cc(C(=O)[O-])nn1)CC2 ZINC000831037613 601290409 /nfs/dbraw/zinc/29/04/09/601290409.db2.gz ATSQMYRUJWKCQT-UHFFFAOYSA-N -1 0 365.371 -0.526 20 0 FBADRM Cn1ccnc1CN1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000831037756 604843089 /nfs/dbraw/zinc/84/30/89/604843089.db2.gz YGYXAWYGELYLPU-CYBMUJFWSA-N -1 0 351.407 -0.167 20 0 FBADRM Cn1ccnc1CN1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000831037760 604842971 /nfs/dbraw/zinc/84/29/71/604842971.db2.gz YGYXAWYGELYLPU-ZDUSSCGKSA-N -1 0 351.407 -0.167 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000831037893 601275902 /nfs/dbraw/zinc/27/59/02/601275902.db2.gz HCLYUMFCBCEIDI-UHFFFAOYSA-N -1 0 353.360 -0.799 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@H](C)CC(=O)[O-])c1 ZINC000831038163 602149373 /nfs/dbraw/zinc/14/93/73/602149373.db2.gz HMEIDJGVBDKOSC-SECBINFHSA-N -1 0 357.388 -0.240 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@H](C)CC(=O)[O-])c1 ZINC000831038164 602149357 /nfs/dbraw/zinc/14/93/57/602149357.db2.gz HMEIDJGVBDKOSC-VIFPVBQESA-N -1 0 357.388 -0.240 20 0 FBADRM CNS(=O)(=O)c1cccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)c1 ZINC000831038200 604697705 /nfs/dbraw/zinc/69/77/05/604697705.db2.gz HYNGARWHTNFKNZ-UHFFFAOYSA-N -1 0 368.371 -0.330 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)Cn2cc(C(=O)[O-])nn2)c1C ZINC000831038219 604354065 /nfs/dbraw/zinc/35/40/65/604354065.db2.gz JKRKRDAVJAXJKP-UHFFFAOYSA-N -1 0 353.360 -0.168 20 0 FBADRM CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000831038321 661143891 /nfs/dbraw/zinc/14/38/91/661143891.db2.gz MOBZUTOUVOPDMQ-UHFFFAOYSA-N -1 0 365.371 -0.526 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000831038677 601766074 /nfs/dbraw/zinc/76/60/74/601766074.db2.gz RCAZFYOMPCQDTB-GFCCVEGCSA-N -1 0 371.415 -0.020 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000831038679 601766190 /nfs/dbraw/zinc/76/61/90/601766190.db2.gz RCAZFYOMPCQDTB-LBPRGKRZSA-N -1 0 371.415 -0.020 20 0 FBADRM CNS(=O)(=O)c1cccc(CNS(=O)(=O)C[C@@H](C)C(=O)[O-])c1 ZINC000831038766 601775434 /nfs/dbraw/zinc/77/54/34/601775434.db2.gz UFUZRQRXSPQUDH-SECBINFHSA-N -1 0 350.418 -0.265 20 0 FBADRM CNS(=O)(=O)c1cccc(CNS(=O)(=O)C[C@H](C)C(=O)[O-])c1 ZINC000831038779 601775560 /nfs/dbraw/zinc/77/55/60/601775560.db2.gz UFUZRQRXSPQUDH-VIFPVBQESA-N -1 0 350.418 -0.265 20 0 FBADRM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000831038798 601281344 /nfs/dbraw/zinc/28/13/44/601281344.db2.gz UKUCMKMKBYKVLZ-SECBINFHSA-N -1 0 367.387 -0.238 20 0 FBADRM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000831038799 601281230 /nfs/dbraw/zinc/28/12/30/601281230.db2.gz UKUCMKMKBYKVLZ-VIFPVBQESA-N -1 0 367.387 -0.238 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000831038995 601591588 /nfs/dbraw/zinc/59/15/88/601591588.db2.gz WTIQBBDXOBSPLU-CABZTGNLSA-N -1 0 362.429 -0.064 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000831038997 601591511 /nfs/dbraw/zinc/59/15/11/601591511.db2.gz WTIQBBDXOBSPLU-JOYOIKCWSA-N -1 0 362.429 -0.064 20 0 FBADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000831038999 601591572 /nfs/dbraw/zinc/59/15/72/601591572.db2.gz WTIQBBDXOBSPLU-SKDRFNHKSA-N -1 0 362.429 -0.064 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)NC2CCC(NC(=O)[O-])CC2)c1 ZINC000831040850 603540483 /nfs/dbraw/zinc/54/04/83/603540483.db2.gz ATOUIFBUYNBNDZ-UHFFFAOYSA-N -1 0 359.408 -0.607 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000831040853 603531481 /nfs/dbraw/zinc/53/14/81/603531481.db2.gz AZHQEYGAUASBLN-JTQLQIEISA-N -1 0 359.408 -0.795 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000831040854 603531369 /nfs/dbraw/zinc/53/13/69/603531369.db2.gz AZHQEYGAUASBLN-SNVBAGLBSA-N -1 0 359.408 -0.795 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2CCC(CNC(=O)[O-])CC2)c1 ZINC000831040857 603531115 /nfs/dbraw/zinc/53/11/15/603531115.db2.gz AZZMXZKGRZAKBL-UHFFFAOYSA-N -1 0 359.408 -0.795 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000831040881 605466698 /nfs/dbraw/zinc/46/66/98/605466698.db2.gz BWGSJNIQDAEJHT-LLVKDONJSA-N -1 0 371.419 -0.558 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N(C2CC2)[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000831040882 605466686 /nfs/dbraw/zinc/46/66/86/605466686.db2.gz BWGSJNIQDAEJHT-NSHDSACASA-N -1 0 371.419 -0.558 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000831040894 603533215 /nfs/dbraw/zinc/53/32/15/603533215.db2.gz BZZSTWLLMKKXKX-LLVKDONJSA-N -1 0 373.435 -0.405 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000831040895 603533287 /nfs/dbraw/zinc/53/32/87/603533287.db2.gz BZZSTWLLMKKXKX-NSHDSACASA-N -1 0 373.435 -0.405 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCCN2C(=O)[O-])c1 ZINC000831040909 603531441 /nfs/dbraw/zinc/53/14/41/603531441.db2.gz CJSQBJAUXZMCKI-JTQLQIEISA-N -1 0 359.408 -0.653 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)NC[C@H]2CCCCN2C(=O)[O-])c1 ZINC000831040910 603531108 /nfs/dbraw/zinc/53/11/08/603531108.db2.gz CJSQBJAUXZMCKI-SNVBAGLBSA-N -1 0 359.408 -0.653 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])c1 ZINC000831040925 603542577 /nfs/dbraw/zinc/54/25/77/603542577.db2.gz CXAXUVWXUANFPE-GHMZBOCLSA-N -1 0 373.435 -0.359 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])c1 ZINC000831040926 603542626 /nfs/dbraw/zinc/54/26/26/603542626.db2.gz CXAXUVWXUANFPE-MNOVXSKESA-N -1 0 373.435 -0.359 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])c1 ZINC000831040927 603542550 /nfs/dbraw/zinc/54/25/50/603542550.db2.gz CXAXUVWXUANFPE-QWRGUYRKSA-N -1 0 373.435 -0.359 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])c1 ZINC000831040928 603542581 /nfs/dbraw/zinc/54/25/81/603542581.db2.gz CXAXUVWXUANFPE-WDEREUQCSA-N -1 0 373.435 -0.359 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000831040957 603542553 /nfs/dbraw/zinc/54/25/53/603542553.db2.gz DRZSGRZYRGVUDF-FGWVZKOKSA-N -1 0 371.419 -0.512 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2CCCC[C@H]2CNC(=O)[O-])c1 ZINC000831040984 603531458 /nfs/dbraw/zinc/53/14/58/603531458.db2.gz FTIPUOSSBVYTFT-JTQLQIEISA-N -1 0 359.408 -0.653 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2CCCC[C@@H]2CNC(=O)[O-])c1 ZINC000831040985 603531119 /nfs/dbraw/zinc/53/11/19/603531119.db2.gz FTIPUOSSBVYTFT-SNVBAGLBSA-N -1 0 359.408 -0.653 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[O-])CC2(C)C)c1 ZINC000831040991 603542644 /nfs/dbraw/zinc/54/26/44/603542644.db2.gz FVNKLIPMCGQBQS-UHFFFAOYSA-N -1 0 359.408 -0.701 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)NCC2(NC(=O)[O-])CCCCC2)c1 ZINC000831041070 603524945 /nfs/dbraw/zinc/52/49/45/603524945.db2.gz JNRBVRZXKKXBTN-UHFFFAOYSA-N -1 0 373.435 -0.215 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)NC2(CNC(=O)[O-])CCCC2)c1 ZINC000831041134 603533314 /nfs/dbraw/zinc/53/33/14/603533314.db2.gz LDLLJMBZVQMWPB-UHFFFAOYSA-N -1 0 359.408 -0.605 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc(NC(=O)[O-])nc2)c1 ZINC000831041188 603531316 /nfs/dbraw/zinc/53/13/16/603531316.db2.gz MXZVEXPTVOEYIA-UHFFFAOYSA-N -1 0 354.348 -0.178 20 0 FBADRM Cn1cnc2c1c(=O)n(CCCOC(=O)C1(NC(=O)[O-])CC1)c(=O)n2C ZINC000831041245 604751877 /nfs/dbraw/zinc/75/18/77/604751877.db2.gz OVGWPELVRPAFKF-UHFFFAOYSA-N -1 0 365.346 -0.833 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)NCC2CCN(C(=O)[O-])CC2)c1 ZINC000831041258 603531173 /nfs/dbraw/zinc/53/11/73/603531173.db2.gz PEXRDMJJVUUYCF-UHFFFAOYSA-N -1 0 359.408 -0.795 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)c1 ZINC000831041329 603531145 /nfs/dbraw/zinc/53/11/45/603531145.db2.gz RDZRFUSNJJATEI-JTQLQIEISA-N -1 0 359.408 -0.795 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2CCC[C@H](CNC(=O)[O-])C2)c1 ZINC000831041330 603531328 /nfs/dbraw/zinc/53/13/28/603531328.db2.gz RDZRFUSNJJATEI-SNVBAGLBSA-N -1 0 359.408 -0.795 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@](C)(CNC(=O)[O-])C2CC2)c1 ZINC000831041414 603533258 /nfs/dbraw/zinc/53/32/58/603533258.db2.gz VCDYTIJRIVKGFK-CYBMUJFWSA-N -1 0 359.408 -0.749 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@@](C)(CNC(=O)[O-])C2CC2)c1 ZINC000831041415 603533245 /nfs/dbraw/zinc/53/32/45/603533245.db2.gz VCDYTIJRIVKGFK-ZDUSSCGKSA-N -1 0 359.408 -0.749 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000831041428 603531301 /nfs/dbraw/zinc/53/13/01/603531301.db2.gz VUMSXVZJAISZST-JTQLQIEISA-N -1 0 359.408 -0.795 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000831041429 603531103 /nfs/dbraw/zinc/53/11/03/603531103.db2.gz VUMSXVZJAISZST-SNVBAGLBSA-N -1 0 359.408 -0.795 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000831041431 603545865 /nfs/dbraw/zinc/54/58/65/603545865.db2.gz VVKOJEOIVFCKFM-MNOVXSKESA-N -1 0 371.419 -0.558 20 0 FBADRM CNS(=O)(=O)c1csc(C(=O)N[C@H](CC(=O)[O-])C(=O)OC)c1 ZINC000831041538 601135567 /nfs/dbraw/zinc/13/55/67/601135567.db2.gz BIWRDIKHNIUTFJ-SSDOTTSWSA-N -1 0 350.374 -0.598 20 0 FBADRM CNS(=O)(=O)c1csc(C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)c1 ZINC000831041541 601135529 /nfs/dbraw/zinc/13/55/29/601135529.db2.gz BIWRDIKHNIUTFJ-ZETCQYMHSA-N -1 0 350.374 -0.598 20 0 FBADRM Cn1ccnc1N1CCN(C(=O)CN2CCC(NC(=O)[O-])CC2)CC1 ZINC000831041610 605157876 /nfs/dbraw/zinc/15/78/76/605157876.db2.gz WCGLOLZXUSZIHU-UHFFFAOYSA-N -1 0 350.423 -0.199 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])c1 ZINC000831041751 603542704 /nfs/dbraw/zinc/54/27/04/603542704.db2.gz ZFQITZBRZKXZJI-NXEZZACHSA-N -1 0 359.408 -0.749 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])c1 ZINC000831041752 603542500 /nfs/dbraw/zinc/54/25/00/603542500.db2.gz ZFQITZBRZKXZJI-UWVGGRQHSA-N -1 0 359.408 -0.749 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])c1 ZINC000831041753 603542564 /nfs/dbraw/zinc/54/25/64/603542564.db2.gz ZFQITZBRZKXZJI-VHSXEESVSA-N -1 0 359.408 -0.749 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])c1 ZINC000831041754 603542540 /nfs/dbraw/zinc/54/25/40/603542540.db2.gz ZFQITZBRZKXZJI-ZJUUUORDSA-N -1 0 359.408 -0.749 20 0 FBADRM Cn1cnc2cc(NC(=O)C(=O)NCCN3CCN(C(=O)[O-])CC3)ccc21 ZINC000831041760 604129494 /nfs/dbraw/zinc/12/94/94/604129494.db2.gz ZMADKRVTJGCWMD-UHFFFAOYSA-N -1 0 374.401 -0.076 20 0 FBADRM CNS(=O)(=O)c1csc(C(=O)OCC(=O)NCCC(=O)[O-])c1 ZINC000831041807 601188992 /nfs/dbraw/zinc/18/89/92/601188992.db2.gz IIUAGSRSPPNJSC-UHFFFAOYSA-N -1 0 350.374 -0.596 20 0 FBADRM CNS(=O)(=O)c1csc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC000831041818 601136383 /nfs/dbraw/zinc/13/63/83/601136383.db2.gz IOCOHZSCDKJAQA-MRVPVSSYSA-N -1 0 361.401 -0.929 20 0 FBADRM CNS(=O)(=O)c1csc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC000831041820 601136131 /nfs/dbraw/zinc/13/61/31/601136131.db2.gz IOCOHZSCDKJAQA-QMMMGPOBSA-N -1 0 361.401 -0.929 20 0 FBADRM CNc1cc2c(nn1)CCN(S(=O)(=O)c1cnn(CC(=O)[O-])c1)C2 ZINC000831041949 600753023 /nfs/dbraw/zinc/75/30/23/600753023.db2.gz LRTOLWHEJULFOW-UHFFFAOYSA-N -1 0 352.376 -0.454 20 0 FBADRM CNc1cc(N2CCC[C@H]2CNC(=O)Cn2cc(C(=O)[O-])nn2)ncn1 ZINC000831041957 601291471 /nfs/dbraw/zinc/29/14/71/601291471.db2.gz MLFOKZPZULBNHD-JTQLQIEISA-N -1 0 360.378 -0.407 20 0 FBADRM CNc1cc(N2CCC[C@@H]2CNC(=O)Cn2cc(C(=O)[O-])nn2)ncn1 ZINC000831041958 601291368 /nfs/dbraw/zinc/29/13/68/601291368.db2.gz MLFOKZPZULBNHD-SNVBAGLBSA-N -1 0 360.378 -0.407 20 0 FBADRM CNS(=O)(=O)c1csc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])c1 ZINC000831042155 601188939 /nfs/dbraw/zinc/18/89/39/601188939.db2.gz NHODRZQSPFDQMT-LURJTMIESA-N -1 0 350.374 -0.598 20 0 FBADRM CNS(=O)(=O)c1csc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])c1 ZINC000831042156 601188937 /nfs/dbraw/zinc/18/89/37/601188937.db2.gz NHODRZQSPFDQMT-ZCFIWIBFSA-N -1 0 350.374 -0.598 20 0 FBADRM CNS(=O)(=O)c1csc(C(=O)N(CC(=O)[O-])CC(=O)OC)c1 ZINC000831042157 601137173 /nfs/dbraw/zinc/13/71/73/601137173.db2.gz NJPIWCBTVNOFML-UHFFFAOYSA-N -1 0 350.374 -0.644 20 0 FBADRM CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)N(C)CCC(=O)[O-])ncn1 ZINC000831042172 601263990 /nfs/dbraw/zinc/26/39/90/601263990.db2.gz NTLIDICPOWCPPX-LLVKDONJSA-N -1 0 372.451 -0.272 20 0 FBADRM CNc1cc(N2CCC[C@H]2CNS(=O)(=O)N(C)CCC(=O)[O-])ncn1 ZINC000831042173 601263819 /nfs/dbraw/zinc/26/38/19/601263819.db2.gz NTLIDICPOWCPPX-NSHDSACASA-N -1 0 372.451 -0.272 20 0 FBADRM CNS(=O)(=O)c1csc(C(=O)OCCc2cn(CC(=O)[O-])nn2)c1 ZINC000831042207 604700977 /nfs/dbraw/zinc/70/09/77/604700977.db2.gz OVSODHHJHFAWPH-UHFFFAOYSA-N -1 0 374.400 -0.268 20 0 FBADRM CNS(=O)(=O)c1csc(C(=O)N[C@H](CC(=O)OC)C(=O)[O-])c1 ZINC000831042487 601135502 /nfs/dbraw/zinc/13/55/02/601135502.db2.gz UPTRDFDCEHFVJW-SSDOTTSWSA-N -1 0 350.374 -0.598 20 0 FBADRM CNS(=O)(=O)c1csc(C(=O)N[C@@H](CC(=O)OC)C(=O)[O-])c1 ZINC000831042488 601135494 /nfs/dbraw/zinc/13/54/94/601135494.db2.gz UPTRDFDCEHFVJW-ZETCQYMHSA-N -1 0 350.374 -0.598 20 0 FBADRM Cn1nc2c(cc1=O)CN(C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)CC2 ZINC000831050235 605375070 /nfs/dbraw/zinc/37/50/70/605375070.db2.gz HVCAXGDBIJZPCI-GFCCVEGCSA-N -1 0 350.375 -0.176 20 0 FBADRM Cn1nc2c(cc1=O)CN(C(=O)CO[C@H]1CCCN(C(=O)[O-])C1)CC2 ZINC000831050236 605375343 /nfs/dbraw/zinc/37/53/43/605375343.db2.gz HVCAXGDBIJZPCI-LBPRGKRZSA-N -1 0 350.375 -0.176 20 0 FBADRM Cn1nc2c(cc1=O)CN(C(=O)CN(C[C@H]1CCCO1)C(=O)[O-])CC2 ZINC000831050582 603640119 /nfs/dbraw/zinc/64/01/19/603640119.db2.gz NJTUIQNAETUYRM-GFCCVEGCSA-N -1 0 350.375 -0.176 20 0 FBADRM Cn1nc2c(cc1=O)CN(C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])CC2 ZINC000831050584 603639592 /nfs/dbraw/zinc/63/95/92/603639592.db2.gz NJTUIQNAETUYRM-LBPRGKRZSA-N -1 0 350.375 -0.176 20 0 FBADRM Cn1nc2c(cc1=O)CN(C(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)CC2 ZINC000831050987 603870702 /nfs/dbraw/zinc/87/07/02/603870702.db2.gz VNKBIAZXTMFZGQ-UHFFFAOYSA-N -1 0 363.418 -0.261 20 0 FBADRM Cn1nc2c(cc1=O)CN(C(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1)CC2 ZINC000831051065 603612930 /nfs/dbraw/zinc/61/29/30/603612930.db2.gz WADYLASTRLCCJM-UHFFFAOYSA-N -1 0 372.341 -0.211 20 0 FBADRM Cn1ncc2c1nc(COC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)[nH]c2=O ZINC000831054351 605226747 /nfs/dbraw/zinc/22/67/47/605226747.db2.gz BVMCRKMYVWMSIH-MRVPVSSYSA-N -1 0 351.319 -0.119 20 0 FBADRM Cn1ncc2c1nc(COC(=O)C[C@H]1CN(C(=O)[O-])CCO1)[nH]c2=O ZINC000831054353 605226779 /nfs/dbraw/zinc/22/67/79/605226779.db2.gz BVMCRKMYVWMSIH-QMMMGPOBSA-N -1 0 351.319 -0.119 20 0 FBADRM Cn1ncc2c1nc(CCC(=O)O[C@H]1CN(C(=O)[O-])CCC1=O)[nH]c2=O ZINC000831054574 603609238 /nfs/dbraw/zinc/60/92/38/603609238.db2.gz GGLPXPGSBIOGAQ-JTQLQIEISA-N -1 0 363.330 -0.134 20 0 FBADRM Cn1ncc2c1nc(CCC(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O)[nH]c2=O ZINC000831054575 603609067 /nfs/dbraw/zinc/60/90/67/603609067.db2.gz GGLPXPGSBIOGAQ-SNVBAGLBSA-N -1 0 363.330 -0.134 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1)c2=O ZINC000831054585 605790662 /nfs/dbraw/zinc/79/06/62/605790662.db2.gz GQDRATPXSAFIMF-LLVKDONJSA-N -1 0 360.374 -0.127 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1)c2=O ZINC000831054586 605790843 /nfs/dbraw/zinc/79/08/43/605790843.db2.gz GQDRATPXSAFIMF-NSHDSACASA-N -1 0 360.374 -0.127 20 0 FBADRM Cn1ncc2c1nnn(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-])c2=O ZINC000831054610 604017288 /nfs/dbraw/zinc/01/72/88/604017288.db2.gz HQUUGAFQXDWFTH-STQMWFEESA-N -1 0 358.358 -0.235 20 0 FBADRM Cn1nc2c(cc1=O)CN(C(=O)NCCN1CCN(C(=O)[O-])CC1)CC2 ZINC000831054792 604077871 /nfs/dbraw/zinc/07/78/71/604077871.db2.gz KCLGWCIMKZILAQ-UHFFFAOYSA-N -1 0 364.406 -0.856 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)N1CC[C@H]3CC[C@@H](C1)N3C(=O)[O-])c2=O ZINC000831054961 604018420 /nfs/dbraw/zinc/01/84/20/604018420.db2.gz MQRHEPXIFDLJKY-MNOVXSKESA-N -1 0 360.374 -0.127 20 0 FBADRM Cn1ncc2c1nnn(CN1CCC(OCCCNC(=O)[O-])CC1)c2=O ZINC000831055468 604018680 /nfs/dbraw/zinc/01/86/80/604018680.db2.gz WTJXUXOXIFGNOD-UHFFFAOYSA-N -1 0 365.394 -0.379 20 0 FBADRM Cn1ncc2c1ncnc2N1CCN(C(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000831055599 604606158 /nfs/dbraw/zinc/60/61/58/604606158.db2.gz YTGVJDYQEVHKSD-UHFFFAOYSA-N -1 0 360.378 -0.443 20 0 FBADRM Cn1ncnc1CS(=O)(=O)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000831058182 603567274 /nfs/dbraw/zinc/56/72/74/603567274.db2.gz AXCGQCSQTSOWGU-QWHCGFSZSA-N -1 0 368.415 -0.030 20 0 FBADRM Cn1ncnc1CS(=O)(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000831058185 603567064 /nfs/dbraw/zinc/56/70/64/603567064.db2.gz AXCGQCSQTSOWGU-STQMWFEESA-N -1 0 368.415 -0.030 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC000831065166 601498860 /nfs/dbraw/zinc/49/88/60/601498860.db2.gz BDYYGIURZSNKQP-MRVPVSSYSA-N -1 0 362.360 -0.416 20 0 FBADRM Cn1nnnc1CS(=O)(=O)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000831065170 603242496 /nfs/dbraw/zinc/24/24/96/603242496.db2.gz PPPUHTXEAHAOJB-NWDGAFQWSA-N -1 0 369.403 -0.635 20 0 FBADRM Cn1nnnc1CS(=O)(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000831065171 603242388 /nfs/dbraw/zinc/24/23/88/603242388.db2.gz PPPUHTXEAHAOJB-RYUDHWBXSA-N -1 0 369.403 -0.635 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC000831065179 601498919 /nfs/dbraw/zinc/49/89/19/601498919.db2.gz BDYYGIURZSNKQP-QMMMGPOBSA-N -1 0 362.360 -0.416 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N2CC[C@H](NC(=O)[O-])C2)c1 ZINC000831065491 605943756 /nfs/dbraw/zinc/94/37/56/605943756.db2.gz QNOIDMKHOMIELI-JTQLQIEISA-N -1 0 352.376 -0.092 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000831065492 604337481 /nfs/dbraw/zinc/33/74/81/604337481.db2.gz QNOIDMKHOMIELI-SNVBAGLBSA-N -1 0 352.376 -0.092 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000831065542 603117650 /nfs/dbraw/zinc/11/76/50/603117650.db2.gz RFZNQGVIPKODRI-JTQLQIEISA-N -1 0 352.376 -0.092 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)N[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000831065543 603117774 /nfs/dbraw/zinc/11/77/74/603117774.db2.gz RFZNQGVIPKODRI-SNVBAGLBSA-N -1 0 352.376 -0.092 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000831065572 600877006 /nfs/dbraw/zinc/87/70/06/600877006.db2.gz CWCMTLVEYHXNMW-NEPJUHHUSA-N -1 0 362.338 -0.362 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000831065573 600876945 /nfs/dbraw/zinc/87/69/45/600876945.db2.gz CWCMTLVEYHXNMW-NWDGAFQWSA-N -1 0 362.338 -0.362 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000831065574 600877039 /nfs/dbraw/zinc/87/70/39/600877039.db2.gz CWCMTLVEYHXNMW-RYUDHWBXSA-N -1 0 362.338 -0.362 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000831065575 600877030 /nfs/dbraw/zinc/87/70/30/600877030.db2.gz CWCMTLVEYHXNMW-VXGBXAGGSA-N -1 0 362.338 -0.362 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1 ZINC000831065972 600877783 /nfs/dbraw/zinc/87/77/83/600877783.db2.gz GFMMGUOWNRQHOX-JTQLQIEISA-N -1 0 361.376 -0.553 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1 ZINC000831065973 600877800 /nfs/dbraw/zinc/87/78/00/600877800.db2.gz GFMMGUOWNRQHOX-SNVBAGLBSA-N -1 0 361.376 -0.553 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000831066045 602178956 /nfs/dbraw/zinc/17/89/56/602178956.db2.gz HDCOEKWFNHJJBK-NXEZZACHSA-N -1 0 360.363 -0.245 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000831066046 602178835 /nfs/dbraw/zinc/17/88/35/602178835.db2.gz HDCOEKWFNHJJBK-UWVGGRQHSA-N -1 0 360.363 -0.245 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000831066047 602178823 /nfs/dbraw/zinc/17/88/23/602178823.db2.gz HDCOEKWFNHJJBK-VHSXEESVSA-N -1 0 360.363 -0.245 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000831066048 602178917 /nfs/dbraw/zinc/17/89/17/602178917.db2.gz HDCOEKWFNHJJBK-ZJUUUORDSA-N -1 0 360.363 -0.245 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](C)NC(=O)c1[nH]nc2ccccc21 ZINC000831066368 601080713 /nfs/dbraw/zinc/08/07/13/601080713.db2.gz HRJPLKSDMRUHMK-GZMMTYOYSA-N -1 0 362.342 -0.186 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](C)NC(=O)c1[nH]nc2ccccc21 ZINC000831066370 601080448 /nfs/dbraw/zinc/08/04/48/601080448.db2.gz HRJPLKSDMRUHMK-KCJUWKMLSA-N -1 0 362.342 -0.186 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](C)NC(=O)c1[nH]nc2ccccc21 ZINC000831066372 601080750 /nfs/dbraw/zinc/08/07/50/601080750.db2.gz HRJPLKSDMRUHMK-KWQFWETISA-N -1 0 362.342 -0.186 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)NC(=O)c1[nH]nc2ccccc21 ZINC000831066374 601080532 /nfs/dbraw/zinc/08/05/32/601080532.db2.gz HRJPLKSDMRUHMK-LDYMZIIASA-N -1 0 362.342 -0.186 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000831067179 601448383 /nfs/dbraw/zinc/44/83/83/601448383.db2.gz MNWDYPZSVDUCQR-HWPZZCPQSA-N -1 0 363.326 -0.513 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000831067181 601448306 /nfs/dbraw/zinc/44/83/06/601448306.db2.gz MNWDYPZSVDUCQR-MGPLVRAMSA-N -1 0 363.326 -0.513 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000831067183 601448365 /nfs/dbraw/zinc/44/83/65/601448365.db2.gz MNWDYPZSVDUCQR-QFYYESIMSA-N -1 0 363.326 -0.513 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000831067185 601448382 /nfs/dbraw/zinc/44/83/82/601448382.db2.gz MNWDYPZSVDUCQR-QLJPJBMISA-N -1 0 363.326 -0.513 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000831067411 604272048 /nfs/dbraw/zinc/27/20/48/604272048.db2.gz QUCWGNMZSSUJBB-HWPZZCPQSA-N -1 0 363.326 -0.513 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000831067412 604272196 /nfs/dbraw/zinc/27/21/96/604272196.db2.gz QUCWGNMZSSUJBB-MGPLVRAMSA-N -1 0 363.326 -0.513 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000831067413 604272078 /nfs/dbraw/zinc/27/20/78/604272078.db2.gz QUCWGNMZSSUJBB-QFYYESIMSA-N -1 0 363.326 -0.513 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000831067414 604272325 /nfs/dbraw/zinc/27/23/25/604272325.db2.gz QUCWGNMZSSUJBB-QLJPJBMISA-N -1 0 363.326 -0.513 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CCNC(=O)c1ccc(C)cc1O ZINC000831067666 601439002 /nfs/dbraw/zinc/43/90/02/601439002.db2.gz VBASZOGJDRMDSO-LLVKDONJSA-N -1 0 352.343 -0.047 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CCNC(=O)c1ccc(C)cc1O ZINC000831067669 601439155 /nfs/dbraw/zinc/43/91/55/601439155.db2.gz VBASZOGJDRMDSO-NSHDSACASA-N -1 0 352.343 -0.047 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC000831067791 601810759 /nfs/dbraw/zinc/81/07/59/601810759.db2.gz WEAWAIJVNABNJW-SECBINFHSA-N -1 0 362.360 -0.416 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC000831067792 601810859 /nfs/dbraw/zinc/81/08/59/601810859.db2.gz WEAWAIJVNABNJW-VIFPVBQESA-N -1 0 362.360 -0.416 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CN1CCN(c2ccccn2)CC1 ZINC000831068295 600876960 /nfs/dbraw/zinc/87/69/60/600876960.db2.gz ZREZPVRVEWQSNA-GFCCVEGCSA-N -1 0 350.375 -0.664 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)CN1CCN(c2ccccn2)CC1 ZINC000831068299 600877083 /nfs/dbraw/zinc/87/70/83/600877083.db2.gz ZREZPVRVEWQSNA-LBPRGKRZSA-N -1 0 350.375 -0.664 20 0 FBADRM COC(=O)[C@@H](COC(C)C)N(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000831072797 602230326 /nfs/dbraw/zinc/23/03/26/602230326.db2.gz LCUAPQADKOZLPB-GFCCVEGCSA-N -1 0 366.436 -0.074 20 0 FBADRM COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000831072801 602230333 /nfs/dbraw/zinc/23/03/33/602230333.db2.gz LCUAPQADKOZLPB-LBPRGKRZSA-N -1 0 366.436 -0.074 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000831072893 602317697 /nfs/dbraw/zinc/31/76/97/602317697.db2.gz MDOKMYWMWGRIJC-LLVKDONJSA-N -1 0 354.340 -0.177 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000831072900 602317550 /nfs/dbraw/zinc/31/75/50/602317550.db2.gz MDOKMYWMWGRIJC-NSHDSACASA-N -1 0 354.340 -0.177 20 0 FBADRM COC(=O)[C@@H](CNC(=O)Cn1cc(C(=O)[O-])nn1)Cc1ccc(O)cc1 ZINC000831073837 601282399 /nfs/dbraw/zinc/28/23/99/601282399.db2.gz RPCXSKYPHVTAFG-LLVKDONJSA-N -1 0 362.342 -0.170 20 0 FBADRM COC(=O)[C@H](CNC(=O)Cn1cc(C(=O)[O-])nn1)Cc1ccc(O)cc1 ZINC000831073840 601282349 /nfs/dbraw/zinc/28/23/49/601282349.db2.gz RPCXSKYPHVTAFG-NSHDSACASA-N -1 0 362.342 -0.170 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000831074275 600700808 /nfs/dbraw/zinc/70/08/08/600700808.db2.gz WTIKKXNQLAHRCG-GFCCVEGCSA-N -1 0 358.372 -0.036 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000831074276 600700724 /nfs/dbraw/zinc/70/07/24/600700724.db2.gz WTIKKXNQLAHRCG-LBPRGKRZSA-N -1 0 358.372 -0.036 20 0 FBADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC000831074499 604547051 /nfs/dbraw/zinc/54/70/51/604547051.db2.gz ZAZQVILJUNIZJG-GFCCVEGCSA-N -1 0 366.374 -0.312 20 0 FBADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC000831074500 604547189 /nfs/dbraw/zinc/54/71/89/604547189.db2.gz ZAZQVILJUNIZJG-LBPRGKRZSA-N -1 0 366.374 -0.312 20 0 FBADRM COC(=O)[C@@H](COC(C)C)N(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000831078624 602228981 /nfs/dbraw/zinc/22/89/81/602228981.db2.gz NABKSIYTZFWHCR-LLVKDONJSA-N -1 0 363.392 -0.445 20 0 FBADRM COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000831078628 602228833 /nfs/dbraw/zinc/22/88/33/602228833.db2.gz NABKSIYTZFWHCR-NSHDSACASA-N -1 0 363.392 -0.445 20 0 FBADRM COC(=O)[C@]1(C)CCN(C(=O)COCC(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000831089876 602034490 /nfs/dbraw/zinc/03/44/90/602034490.db2.gz ROIBEPITFBAULY-DLBZAZTESA-N -1 0 370.402 -0.262 20 0 FBADRM COC(=O)[C@]1(C)CCN(C(=O)COCC(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000831089878 602034828 /nfs/dbraw/zinc/03/48/28/602034828.db2.gz ROIBEPITFBAULY-IAGOWNOFSA-N -1 0 370.402 -0.262 20 0 FBADRM COC(=O)[C@@]1(C)CCN(C(=O)COCC(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000831089880 602034496 /nfs/dbraw/zinc/03/44/96/602034496.db2.gz ROIBEPITFBAULY-IRXDYDNUSA-N -1 0 370.402 -0.262 20 0 FBADRM COC(=O)[C@@]1(C)CCN(C(=O)COCC(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000831089882 602034717 /nfs/dbraw/zinc/03/47/17/602034717.db2.gz ROIBEPITFBAULY-SJORKVTESA-N -1 0 370.402 -0.262 20 0 FBADRM CC(C)N(CCS(C)(=O)=O)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000831092964 661144588 /nfs/dbraw/zinc/14/45/88/661144588.db2.gz PEZWSALAXGVPOU-UHFFFAOYSA-N -1 0 364.445 -0.065 20 0 FBADRM COC(=O)[C@]1(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CCOC1 ZINC000831093862 601595743 /nfs/dbraw/zinc/59/57/43/601595743.db2.gz LGJKLDSTBPRZHH-AWEZNQCLSA-N -1 0 359.356 -0.240 20 0 FBADRM COC(=O)[C@@]1(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CCOC1 ZINC000831093873 601595704 /nfs/dbraw/zinc/59/57/04/601595704.db2.gz LGJKLDSTBPRZHH-CQSZACIVSA-N -1 0 359.356 -0.240 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])[C@@H]2C1 ZINC000831098914 601437750 /nfs/dbraw/zinc/43/77/50/601437750.db2.gz AWSUHNBWJFWANC-QEHJDLSMSA-N -1 0 364.398 -0.034 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])[C@@H]2C1 ZINC000831098915 601437799 /nfs/dbraw/zinc/43/77/99/601437799.db2.gz AWSUHNBWJFWANC-SNIKSBKOSA-N -1 0 364.398 -0.034 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])[C@@H]2C1 ZINC000831098916 601437812 /nfs/dbraw/zinc/43/78/12/601437812.db2.gz AWSUHNBWJFWANC-XADZXUCXSA-N -1 0 364.398 -0.034 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])[C@@H]2C1 ZINC000831098917 601437832 /nfs/dbraw/zinc/43/78/32/601437832.db2.gz AWSUHNBWJFWANC-XNBXPENISA-N -1 0 364.398 -0.034 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000831099590 601139251 /nfs/dbraw/zinc/13/92/51/601139251.db2.gz ICEJXZMJGAACJH-JOGIVDDZSA-N -1 0 352.387 -0.083 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000831099597 601139240 /nfs/dbraw/zinc/13/92/40/601139240.db2.gz ICEJXZMJGAACJH-NFXCPBFJSA-N -1 0 352.387 -0.083 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000831099599 601139333 /nfs/dbraw/zinc/13/93/33/601139333.db2.gz ICEJXZMJGAACJH-QYKGAGETSA-N -1 0 352.387 -0.083 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000831099601 601139325 /nfs/dbraw/zinc/13/93/25/601139325.db2.gz ICEJXZMJGAACJH-RJRAAQABSA-N -1 0 352.387 -0.083 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C[C@H]21 ZINC000831100330 601437867 /nfs/dbraw/zinc/43/78/67/601437867.db2.gz NCJOAJAHESRNEX-QEHJDLSMSA-N -1 0 364.398 -0.034 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]2CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C[C@H]21 ZINC000831100331 601437779 /nfs/dbraw/zinc/43/77/79/601437779.db2.gz NCJOAJAHESRNEX-SNIKSBKOSA-N -1 0 364.398 -0.034 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C[C@H]21 ZINC000831100332 601438303 /nfs/dbraw/zinc/43/83/03/601438303.db2.gz NCJOAJAHESRNEX-XADZXUCXSA-N -1 0 364.398 -0.034 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])C[C@H]21 ZINC000831100333 601438292 /nfs/dbraw/zinc/43/82/92/601438292.db2.gz NCJOAJAHESRNEX-XNBXPENISA-N -1 0 364.398 -0.034 20 0 FBADRM COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1cnn(CC(=O)[O-])c1)CC2 ZINC000831101518 600749383 /nfs/dbraw/zinc/74/93/83/600749383.db2.gz WQNVBMLUZPNTKQ-LLVKDONJSA-N -1 0 357.388 -0.069 20 0 FBADRM COC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1cnn(CC(=O)[O-])c1)CC2 ZINC000831101520 600749112 /nfs/dbraw/zinc/74/91/12/600749112.db2.gz WQNVBMLUZPNTKQ-NSHDSACASA-N -1 0 357.388 -0.069 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000831101797 601139194 /nfs/dbraw/zinc/13/91/94/601139194.db2.gz ZVWLZEGSOAIFSU-JIMTYQMOSA-N -1 0 352.387 -0.083 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000831101798 601139169 /nfs/dbraw/zinc/13/91/69/601139169.db2.gz ZVWLZEGSOAIFSU-KISRQWFGSA-N -1 0 352.387 -0.083 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000831101799 601139197 /nfs/dbraw/zinc/13/91/97/601139197.db2.gz ZVWLZEGSOAIFSU-OJEZURLMSA-N -1 0 352.387 -0.083 20 0 FBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000831101800 601139273 /nfs/dbraw/zinc/13/92/73/601139273.db2.gz ZVWLZEGSOAIFSU-PQCBQTOFSA-N -1 0 352.387 -0.083 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)COCC(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)C[C@H]1C ZINC000831113791 601708963 /nfs/dbraw/zinc/70/89/63/601708963.db2.gz JZJVKWGGGFZQOZ-QNWHQSFQSA-N -1 0 370.402 -0.550 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)COCC(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)C[C@H]1C ZINC000831113794 601708960 /nfs/dbraw/zinc/70/89/60/601708960.db2.gz JZJVKWGGGFZQOZ-UMSGYPCISA-N -1 0 370.402 -0.550 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)COCC(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)C[C@@H]1C ZINC000831113796 601708876 /nfs/dbraw/zinc/70/88/76/601708876.db2.gz JZJVKWGGGFZQOZ-WUHRBBMRSA-N -1 0 370.402 -0.550 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)COCC(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)C[C@@H]1C ZINC000831113800 601708982 /nfs/dbraw/zinc/70/89/82/601708982.db2.gz JZJVKWGGGFZQOZ-ZDEQEGDKSA-N -1 0 370.402 -0.550 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N(C)[C@H](COC(C)C)C(=O)[O-])CC1 ZINC000831114292 602230470 /nfs/dbraw/zinc/23/04/70/602230470.db2.gz NNDDZNWUNDOKGR-GFCCVEGCSA-N -1 0 366.436 -0.074 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])CC1 ZINC000831114293 602230212 /nfs/dbraw/zinc/23/02/12/602230212.db2.gz NNDDZNWUNDOKGR-LBPRGKRZSA-N -1 0 366.436 -0.074 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)NC2(CC(=O)[O-])CCOCC2)CC1 ZINC000831114966 601270508 /nfs/dbraw/zinc/27/05/08/601270508.db2.gz TYLHASCUYWEISA-UHFFFAOYSA-N -1 0 364.420 -0.270 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N(CC(=O)[O-])C2CCOCC2)CC1 ZINC000831115160 600989306 /nfs/dbraw/zinc/98/93/06/600989306.db2.gz UDHHVHNOBQGLPE-UHFFFAOYSA-N -1 0 364.420 -0.318 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCO1 ZINC000831115405 601856531 /nfs/dbraw/zinc/85/65/31/601856531.db2.gz ZTEFTOOKTYXRCX-LLVKDONJSA-N -1 0 354.290 -0.137 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCO1 ZINC000831115406 601856445 /nfs/dbraw/zinc/85/64/45/601856445.db2.gz ZTEFTOOKTYXRCX-NSHDSACASA-N -1 0 354.290 -0.137 20 0 FBADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])CCO1 ZINC000831119972 601576071 /nfs/dbraw/zinc/57/60/71/601576071.db2.gz XKISYAGKRWDZAE-SSDOTTSWSA-N -1 0 364.763 -0.004 20 0 FBADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])CCO1 ZINC000831119973 601576220 /nfs/dbraw/zinc/57/62/20/601576220.db2.gz XKISYAGKRWDZAE-ZETCQYMHSA-N -1 0 364.763 -0.004 20 0 FBADRM COC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000831120203 601583610 /nfs/dbraw/zinc/58/36/10/601583610.db2.gz ZQDHDKAFXAOQAN-SSDOTTSWSA-N -1 0 364.763 -0.004 20 0 FBADRM COC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000831120205 601583586 /nfs/dbraw/zinc/58/35/86/601583586.db2.gz ZQDHDKAFXAOQAN-ZETCQYMHSA-N -1 0 364.763 -0.004 20 0 FBADRM COC(=O)C[C@@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)[O-] ZINC000831128176 602179563 /nfs/dbraw/zinc/17/95/63/602179563.db2.gz FBGBZTMGLAUBBO-NXEZZACHSA-N -1 0 360.363 -0.245 20 0 FBADRM COC(=O)C[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)[O-] ZINC000831128177 602179630 /nfs/dbraw/zinc/17/96/30/602179630.db2.gz FBGBZTMGLAUBBO-UWVGGRQHSA-N -1 0 360.363 -0.245 20 0 FBADRM COC(=O)C[C@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)[O-] ZINC000831128178 602179593 /nfs/dbraw/zinc/17/95/93/602179593.db2.gz FBGBZTMGLAUBBO-VHSXEESVSA-N -1 0 360.363 -0.245 20 0 FBADRM COC(=O)C[C@@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)[O-] ZINC000831128179 602179489 /nfs/dbraw/zinc/17/94/89/602179489.db2.gz FBGBZTMGLAUBBO-ZJUUUORDSA-N -1 0 360.363 -0.245 20 0 FBADRM COC(=O)C[C@H](C)N1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000831128414 601259190 /nfs/dbraw/zinc/25/91/90/601259190.db2.gz IKFWOSMWVIKEMG-JTQLQIEISA-N -1 0 359.404 -0.029 20 0 FBADRM COC(=O)C[C@@H](C)N1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000831128415 601259236 /nfs/dbraw/zinc/25/92/36/601259236.db2.gz IKFWOSMWVIKEMG-SNVBAGLBSA-N -1 0 359.404 -0.029 20 0 FBADRM COC(=O)C[C@@H](C)N1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000831128833 601260682 /nfs/dbraw/zinc/26/06/82/601260682.db2.gz OCPCXUPPBIVLGE-LLVKDONJSA-N -1 0 374.419 -0.774 20 0 FBADRM COC(=O)C[C@H](C)N1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000831128834 601260481 /nfs/dbraw/zinc/26/04/81/601260481.db2.gz OCPCXUPPBIVLGE-NSHDSACASA-N -1 0 374.419 -0.774 20 0 FBADRM COC(=O)C[C@@H](C)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000831128961 601258460 /nfs/dbraw/zinc/25/84/60/601258460.db2.gz OUEREXUKIZJDCF-LLVKDONJSA-N -1 0 373.431 -0.019 20 0 FBADRM COC(=O)C[C@H](C)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000831128962 601258492 /nfs/dbraw/zinc/25/84/92/601258492.db2.gz OUEREXUKIZJDCF-NSHDSACASA-N -1 0 373.431 -0.019 20 0 FBADRM COC(=O)C[C@@H](NC(=O)[C@H](C)NC(=O)c1[nH]nc2ccccc21)C(=O)[O-] ZINC000831128973 601081097 /nfs/dbraw/zinc/08/10/97/601081097.db2.gz PAVNTXQOTBERLE-GZMMTYOYSA-N -1 0 362.342 -0.186 20 0 FBADRM COC(=O)C[C@H](NC(=O)[C@@H](C)NC(=O)c1[nH]nc2ccccc21)C(=O)[O-] ZINC000831128974 601081232 /nfs/dbraw/zinc/08/12/32/601081232.db2.gz PAVNTXQOTBERLE-KCJUWKMLSA-N -1 0 362.342 -0.186 20 0 FBADRM COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)c1[nH]nc2ccccc21)C(=O)[O-] ZINC000831128975 601081168 /nfs/dbraw/zinc/08/11/68/601081168.db2.gz PAVNTXQOTBERLE-KWQFWETISA-N -1 0 362.342 -0.186 20 0 FBADRM COC(=O)C[C@@H](NC(=O)[C@@H](C)NC(=O)c1[nH]nc2ccccc21)C(=O)[O-] ZINC000831128976 601081112 /nfs/dbraw/zinc/08/11/12/601081112.db2.gz PAVNTXQOTBERLE-LDYMZIIASA-N -1 0 362.342 -0.186 20 0 FBADRM COC(=O)C[C@@H](NC(=O)CN1CCN(c2ccccn2)CC1)C(=O)[O-] ZINC000831128979 600876966 /nfs/dbraw/zinc/87/69/66/600876966.db2.gz PCKMFECYJNSIPA-GFCCVEGCSA-N -1 0 350.375 -0.664 20 0 FBADRM COC(=O)C[C@H](NC(=O)CN1CCN(c2ccccn2)CC1)C(=O)[O-] ZINC000831128980 600877074 /nfs/dbraw/zinc/87/70/74/600877074.db2.gz PCKMFECYJNSIPA-LBPRGKRZSA-N -1 0 350.375 -0.664 20 0 FBADRM COC(=O)C[C@@H](C)N1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000831129222 601264652 /nfs/dbraw/zinc/26/46/52/601264652.db2.gz ULEZELHKQXVQSX-LLVKDONJSA-N -1 0 351.425 -0.793 20 0 FBADRM COC(=O)C[C@H](C)N1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000831129223 601264924 /nfs/dbraw/zinc/26/49/24/601264924.db2.gz ULEZELHKQXVQSX-NSHDSACASA-N -1 0 351.425 -0.793 20 0 FBADRM COC(=O)C[C@@H](NC(=O)CCNC(=O)c1ccc(C)cc1O)C(=O)[O-] ZINC000831129296 601439115 /nfs/dbraw/zinc/43/91/15/601439115.db2.gz VVDCDBFJMHZOHG-LLVKDONJSA-N -1 0 352.343 -0.047 20 0 FBADRM COC(=O)C[C@H](NC(=O)CCNC(=O)c1ccc(C)cc1O)C(=O)[O-] ZINC000831129298 601439779 /nfs/dbraw/zinc/43/97/79/601439779.db2.gz VVDCDBFJMHZOHG-NSHDSACASA-N -1 0 352.343 -0.047 20 0 FBADRM COC(=O)C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)oc1C)C(=O)[O-] ZINC000831133078 601810935 /nfs/dbraw/zinc/81/09/35/601810935.db2.gz BAVXCXFGYGHBKU-SECBINFHSA-N -1 0 362.360 -0.416 20 0 FBADRM COC(=O)C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)oc1C)C(=O)[O-] ZINC000831133080 601811195 /nfs/dbraw/zinc/81/11/95/601811195.db2.gz BAVXCXFGYGHBKU-VIFPVBQESA-N -1 0 362.360 -0.416 20 0 FBADRM COC(=O)C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1)C(=O)[O-] ZINC000831133182 601498921 /nfs/dbraw/zinc/49/89/21/601498921.db2.gz CNGSQHKZSNJFBO-MRVPVSSYSA-N -1 0 362.360 -0.416 20 0 FBADRM COC(=O)C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1)C(=O)[O-] ZINC000831133183 601498901 /nfs/dbraw/zinc/49/89/01/601498901.db2.gz CNGSQHKZSNJFBO-QMMMGPOBSA-N -1 0 362.360 -0.416 20 0 FBADRM COC(=O)C[C@H](NC(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1)C(=O)[O-] ZINC000831133394 600877975 /nfs/dbraw/zinc/87/79/75/600877975.db2.gz GGMOTWPAAJWNRR-JTQLQIEISA-N -1 0 361.376 -0.553 20 0 FBADRM COC(=O)C[C@@H](NC(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1)C(=O)[O-] ZINC000831133395 600877821 /nfs/dbraw/zinc/87/78/21/600877821.db2.gz GGMOTWPAAJWNRR-SNVBAGLBSA-N -1 0 361.376 -0.553 20 0 FBADRM COC(=O)C[C@H](NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)C(=O)[O-] ZINC000831133997 600877277 /nfs/dbraw/zinc/87/72/77/600877277.db2.gz JQFMMRUGAXSQHM-NEPJUHHUSA-N -1 0 362.338 -0.362 20 0 FBADRM COC(=O)C[C@@H](NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)C(=O)[O-] ZINC000831133999 600877439 /nfs/dbraw/zinc/87/74/39/600877439.db2.gz JQFMMRUGAXSQHM-NWDGAFQWSA-N -1 0 362.338 -0.362 20 0 FBADRM COC(=O)C[C@H](NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)C(=O)[O-] ZINC000831134001 600877344 /nfs/dbraw/zinc/87/73/44/600877344.db2.gz JQFMMRUGAXSQHM-RYUDHWBXSA-N -1 0 362.338 -0.362 20 0 FBADRM COC(=O)C[C@@H](NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)C(=O)[O-] ZINC000831134003 600877510 /nfs/dbraw/zinc/87/75/10/600877510.db2.gz JQFMMRUGAXSQHM-VXGBXAGGSA-N -1 0 362.338 -0.362 20 0 FBADRM COC(=O)C[C@@H](NC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)C(=O)[O-] ZINC000831134013 601448378 /nfs/dbraw/zinc/44/83/78/601448378.db2.gz JUWNLGQMRSAPBD-HWPZZCPQSA-N -1 0 363.326 -0.513 20 0 FBADRM COC(=O)C[C@H](NC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C(=O)[O-] ZINC000831134015 601448359 /nfs/dbraw/zinc/44/83/59/601448359.db2.gz JUWNLGQMRSAPBD-MGPLVRAMSA-N -1 0 363.326 -0.513 20 0 FBADRM COC(=O)C[C@H](NC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)C(=O)[O-] ZINC000831134017 601448394 /nfs/dbraw/zinc/44/83/94/601448394.db2.gz JUWNLGQMRSAPBD-QFYYESIMSA-N -1 0 363.326 -0.513 20 0 FBADRM COC(=O)C[C@@H](NC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C(=O)[O-] ZINC000831134019 601448385 /nfs/dbraw/zinc/44/83/85/601448385.db2.gz JUWNLGQMRSAPBD-QLJPJBMISA-N -1 0 363.326 -0.513 20 0 FBADRM COC(=O)C[C@@H](NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1)C(=O)[O-] ZINC000831134312 604272614 /nfs/dbraw/zinc/27/26/14/604272614.db2.gz PGEBDWQIJGMWOE-HWPZZCPQSA-N -1 0 363.326 -0.513 20 0 FBADRM COC(=O)C[C@H](NC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1)C(=O)[O-] ZINC000831134314 604272862 /nfs/dbraw/zinc/27/28/62/604272862.db2.gz PGEBDWQIJGMWOE-MGPLVRAMSA-N -1 0 363.326 -0.513 20 0 FBADRM COC(=O)C[C@H](NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1)C(=O)[O-] ZINC000831134317 604272693 /nfs/dbraw/zinc/27/26/93/604272693.db2.gz PGEBDWQIJGMWOE-QFYYESIMSA-N -1 0 363.326 -0.513 20 0 FBADRM COC(=O)C[C@@H](NC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1)C(=O)[O-] ZINC000831134319 604272910 /nfs/dbraw/zinc/27/29/10/604272910.db2.gz PGEBDWQIJGMWOE-QLJPJBMISA-N -1 0 363.326 -0.513 20 0 FBADRM COC(=O)C[C@@H](NC(=O)c1cnn(CC(=O)NC2CCCC2)c1)C(=O)[O-] ZINC000831134963 604547294 /nfs/dbraw/zinc/54/72/94/604547294.db2.gz WIMOXEFRPOGCIV-GFCCVEGCSA-N -1 0 366.374 -0.312 20 0 FBADRM COC(=O)C[C@H](NC(=O)c1cnn(CC(=O)NC2CCCC2)c1)C(=O)[O-] ZINC000831134966 604547307 /nfs/dbraw/zinc/54/73/07/604547307.db2.gz WIMOXEFRPOGCIV-LBPRGKRZSA-N -1 0 366.374 -0.312 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(N(C)C(C)=O)cc1)C(=O)[O-] ZINC000831138701 600700702 /nfs/dbraw/zinc/70/07/02/600700702.db2.gz IHMYGHALXKLDCV-GFCCVEGCSA-N -1 0 358.372 -0.036 20 0 FBADRM COC(=O)CC1(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCOCC1 ZINC000831138910 601270580 /nfs/dbraw/zinc/27/05/80/601270580.db2.gz OMEOEUGXFBIRIQ-UHFFFAOYSA-N -1 0 364.420 -0.270 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)OC)c1)C(=O)[O-] ZINC000831138973 601212917 /nfs/dbraw/zinc/21/29/17/601212917.db2.gz RXNUVDQQFHYNLA-SNVBAGLBSA-N -1 0 363.319 -0.093 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)[O-] ZINC000831138984 602317546 /nfs/dbraw/zinc/31/75/46/602317546.db2.gz SNATVAUGFXTGCD-LLVKDONJSA-N -1 0 354.340 -0.177 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000831143437 661145055 /nfs/dbraw/zinc/14/50/55/661145055.db2.gz BSSHKJNOGIFMDM-GFCCVEGCSA-N -1 0 370.383 -0.255 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000831143444 661145012 /nfs/dbraw/zinc/14/50/12/661145012.db2.gz BSSHKJNOGIFMDM-LBPRGKRZSA-N -1 0 370.383 -0.255 20 0 FBADRM COC(=O)CC1(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCOCC1 ZINC000831143779 601270209 /nfs/dbraw/zinc/27/02/09/601270209.db2.gz FVMSPBHLZXAERG-UHFFFAOYSA-N -1 0 361.376 -0.642 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000831144107 601215451 /nfs/dbraw/zinc/21/54/51/601215451.db2.gz MMYPGHUXMRZUFR-SECBINFHSA-N -1 0 360.344 -0.662 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000831144108 601215460 /nfs/dbraw/zinc/21/54/60/601215460.db2.gz MMYPGHUXMRZUFR-VIFPVBQESA-N -1 0 360.344 -0.662 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000831144133 602351264 /nfs/dbraw/zinc/35/12/64/602351264.db2.gz NDNAJDKXRRCJQP-SECBINFHSA-N -1 0 370.387 -0.928 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000831144134 602351282 /nfs/dbraw/zinc/35/12/82/602351282.db2.gz NDNAJDKXRRCJQP-VIFPVBQESA-N -1 0 370.387 -0.928 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000831144389 601137904 /nfs/dbraw/zinc/13/79/04/601137904.db2.gz OMMMVEIQPWWUTO-LLVKDONJSA-N -1 0 356.356 -0.563 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000831144390 601137943 /nfs/dbraw/zinc/13/79/43/601137943.db2.gz OMMMVEIQPWWUTO-NSHDSACASA-N -1 0 356.356 -0.563 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000831145297 661145032 /nfs/dbraw/zinc/14/50/32/661145032.db2.gz XROHRMCPEFLOBN-MRVPVSSYSA-N -1 0 362.385 -0.502 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000831145298 661145178 /nfs/dbraw/zinc/14/51/78/661145178.db2.gz XROHRMCPEFLOBN-QMMMGPOBSA-N -1 0 362.385 -0.502 20 0 FBADRM COC(=O)C[C@@H]1CN(C/C=C\CN2CCO[C@@H](CC(=O)[O-])C2)CCO1 ZINC000831147586 601570829 /nfs/dbraw/zinc/57/08/29/601570829.db2.gz FKXXUSGLGZHVNK-LYOOOYLASA-N -1 0 356.419 -0.018 20 0 FBADRM COC(=O)C[C@@H]1CN(C/C=C/CN2CCO[C@@H](CC(=O)[O-])C2)CCO1 ZINC000831147587 601571048 /nfs/dbraw/zinc/57/10/48/601571048.db2.gz FKXXUSGLGZHVNK-MQQKUOPWSA-N -1 0 356.419 -0.018 20 0 FBADRM COC(=O)C[C@@H]1CN(C/C=C\CN2CCO[C@H](CC(=O)[O-])C2)CCO1 ZINC000831147588 601570969 /nfs/dbraw/zinc/57/09/69/601570969.db2.gz FKXXUSGLGZHVNK-OKYAQOQYSA-N -1 0 356.419 -0.018 20 0 FBADRM COC(=O)C[C@@H]1CN(C/C=C/CN2CCO[C@H](CC(=O)[O-])C2)CCO1 ZINC000831147589 601570785 /nfs/dbraw/zinc/57/07/85/601570785.db2.gz FKXXUSGLGZHVNK-SWVJOTTGSA-N -1 0 356.419 -0.018 20 0 FBADRM COC(=O)C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])CCO1 ZINC000831147713 601381516 /nfs/dbraw/zinc/38/15/16/601381516.db2.gz HTTJHKOZNLAHPM-SECBINFHSA-N -1 0 358.372 -0.200 20 0 FBADRM COC(=O)C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])CCO1 ZINC000831147731 601381669 /nfs/dbraw/zinc/38/16/69/601381669.db2.gz HTTJHKOZNLAHPM-VIFPVBQESA-N -1 0 358.372 -0.200 20 0 FBADRM COC(=O)C[C@@H]1CN(S(=O)(=O)c2csnc2C(=O)[O-])CCO1 ZINC000831147738 601584274 /nfs/dbraw/zinc/58/42/74/601584274.db2.gz ICODLTTYOUSFLI-SSDOTTSWSA-N -1 0 350.374 -0.206 20 0 FBADRM COC(=O)C[C@H]1CN(S(=O)(=O)c2csnc2C(=O)[O-])CCO1 ZINC000831147739 601584416 /nfs/dbraw/zinc/58/44/16/601584416.db2.gz ICODLTTYOUSFLI-ZETCQYMHSA-N -1 0 350.374 -0.206 20 0 FBADRM COC(=O)C[C@H]1CN(CC(=O)Nc2nc(CC(=O)[O-])cs2)CCO1 ZINC000831147790 601573221 /nfs/dbraw/zinc/57/32/21/601573221.db2.gz KJVLNVUDRXZZTJ-JTQLQIEISA-N -1 0 357.388 -0.027 20 0 FBADRM COC(=O)C[C@@H]1CN(CC(=O)Nc2nc(CC(=O)[O-])cs2)CCO1 ZINC000831147791 601573470 /nfs/dbraw/zinc/57/34/70/601573470.db2.gz KJVLNVUDRXZZTJ-SNVBAGLBSA-N -1 0 357.388 -0.027 20 0 FBADRM COC(=O)C[C@@H]1CSCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000831148364 600756422 /nfs/dbraw/zinc/75/64/22/600756422.db2.gz SZXLACSKNSAVOL-SECBINFHSA-N -1 0 363.417 -0.363 20 0 FBADRM COC(=O)C[C@H]1CSCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000831148365 600756431 /nfs/dbraw/zinc/75/64/31/600756431.db2.gz SZXLACSKNSAVOL-VIFPVBQESA-N -1 0 363.417 -0.363 20 0 FBADRM COC(=O)CCCc1nnc(NC(=O)Cn2cc(C(=O)[O-])nn2)s1 ZINC000831154910 601288842 /nfs/dbraw/zinc/28/88/42/601288842.db2.gz CJNONKYLXPZVKP-UHFFFAOYSA-N -1 0 354.348 -0.038 20 0 FBADRM COC(=O)CCN(C1CCOCC1)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000831155076 601264640 /nfs/dbraw/zinc/26/46/40/601264640.db2.gz FSVZPLZBJHUAJK-UHFFFAOYSA-N -1 0 352.409 -0.318 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000831155272 601262443 /nfs/dbraw/zinc/26/24/43/601262443.db2.gz JMSNYFFEHXFJOI-UHFFFAOYSA-N -1 0 360.388 -0.021 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000831155768 601262459 /nfs/dbraw/zinc/26/24/59/601262459.db2.gz RQDUZVOSRGGGHX-LLVKDONJSA-N -1 0 352.409 -0.318 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000831155769 601262533 /nfs/dbraw/zinc/26/25/33/601262533.db2.gz RQDUZVOSRGGGHX-NSHDSACASA-N -1 0 352.409 -0.318 20 0 FBADRM COC(=O)CCN(C[C@H]1CCCO1)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000831156158 601262418 /nfs/dbraw/zinc/26/24/18/601262418.db2.gz ZMGYPSVTZIZZBX-LLVKDONJSA-N -1 0 352.409 -0.318 20 0 FBADRM COC(=O)CCN(C[C@@H]1CCCO1)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000831156159 601262460 /nfs/dbraw/zinc/26/24/60/601262460.db2.gz ZMGYPSVTZIZZBX-NSHDSACASA-N -1 0 352.409 -0.318 20 0 FBADRM COC(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000831159892 600897842 /nfs/dbraw/zinc/89/78/42/600897842.db2.gz HFONFBMGBHYYEB-UHFFFAOYSA-N -1 0 352.299 -0.211 20 0 FBADRM COC(=O)CCNC(=O)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000831159956 601868433 /nfs/dbraw/zinc/86/84/33/601868433.db2.gz KOBVWFKVAACCKG-UHFFFAOYSA-N -1 0 363.326 -0.167 20 0 FBADRM COC(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000831160102 600897774 /nfs/dbraw/zinc/89/77/74/600897774.db2.gz NHNADBDBNBGCTO-UHFFFAOYSA-N -1 0 352.299 -0.211 20 0 FBADRM COC(=O)CN(C1CCOCC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000831163910 600989948 /nfs/dbraw/zinc/98/99/48/600989948.db2.gz GKLXBHNOTPTXEO-UHFFFAOYSA-N -1 0 364.420 -0.318 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000831164401 602245014 /nfs/dbraw/zinc/24/50/14/602245014.db2.gz NFICCVMVMJOOLN-SECBINFHSA-N -1 0 351.377 -0.945 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000831164402 602244737 /nfs/dbraw/zinc/24/47/37/602244737.db2.gz NFICCVMVMJOOLN-VIFPVBQESA-N -1 0 351.377 -0.945 20 0 FBADRM COC(=O)CN(C1CCOCC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000831164660 600989787 /nfs/dbraw/zinc/98/97/87/600989787.db2.gz PYFSKUFLBCYBBZ-UHFFFAOYSA-N -1 0 361.376 -0.690 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000831164981 602244855 /nfs/dbraw/zinc/24/48/55/602244855.db2.gz XCODCXKETCVBDI-JTQLQIEISA-N -1 0 360.363 -0.292 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000831164982 602244844 /nfs/dbraw/zinc/24/48/44/602244844.db2.gz XCODCXKETCVBDI-SNVBAGLBSA-N -1 0 360.363 -0.292 20 0 FBADRM NC(=O)[C@H](CNC(=O)[C@@H]1CN(C(=O)[O-])CCO1)Cc1ccc(F)cc1 ZINC000831166599 604750148 /nfs/dbraw/zinc/75/01/48/604750148.db2.gz DUWGXMFPXLCWQT-AAEUAGOBSA-N -1 0 353.350 -0.035 20 0 FBADRM NC(=O)[C@@H](CNC(=O)[C@H]1CN(C(=O)[O-])CCO1)Cc1ccc(F)cc1 ZINC000831166600 604750263 /nfs/dbraw/zinc/75/02/63/604750263.db2.gz DUWGXMFPXLCWQT-DGCLKSJQSA-N -1 0 353.350 -0.035 20 0 FBADRM NC(=O)[C@H](CNC(=O)[C@H]1CN(C(=O)[O-])CCO1)Cc1ccc(F)cc1 ZINC000831166601 604750423 /nfs/dbraw/zinc/75/04/23/604750423.db2.gz DUWGXMFPXLCWQT-WCQYABFASA-N -1 0 353.350 -0.035 20 0 FBADRM NC(=O)[C@@H](CNC(=O)[C@@H]1CN(C(=O)[O-])CCO1)Cc1ccc(F)cc1 ZINC000831166602 604750373 /nfs/dbraw/zinc/75/03/73/604750373.db2.gz DUWGXMFPXLCWQT-YPMHNXCESA-N -1 0 353.350 -0.035 20 0 FBADRM NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000831167409 604569832 /nfs/dbraw/zinc/56/98/32/604569832.db2.gz KNLIHQAALWGOHI-AWEZNQCLSA-N -1 0 361.402 -0.098 20 0 FBADRM NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000831167410 604569454 /nfs/dbraw/zinc/56/94/54/604569454.db2.gz KNLIHQAALWGOHI-CQSZACIVSA-N -1 0 361.402 -0.098 20 0 FBADRM NC(=O)[C@@H](CNC(=O)COC1CN(C(=O)[O-])C1)Cc1ccc(F)cc1 ZINC000831167417 603766064 /nfs/dbraw/zinc/76/60/64/603766064.db2.gz KQKDJROTMKBXEW-LLVKDONJSA-N -1 0 353.350 -0.035 20 0 FBADRM NC(=O)[C@H](CNC(=O)COC1CN(C(=O)[O-])C1)Cc1ccc(F)cc1 ZINC000831167418 603765547 /nfs/dbraw/zinc/76/55/47/603765547.db2.gz KQKDJROTMKBXEW-NSHDSACASA-N -1 0 353.350 -0.035 20 0 FBADRM NC(=O)C1(C(=O)N2CCC[C@@H](C(=O)N3CCN(C(=O)[O-])CC3)C2)CCC1 ZINC000831167967 603681379 /nfs/dbraw/zinc/68/13/79/603681379.db2.gz UQTUFAPMFQCPGD-GFCCVEGCSA-N -1 0 366.418 -0.297 20 0 FBADRM NC(=O)C1(C(=O)N2CCC[C@H](C(=O)N3CCN(C(=O)[O-])CC3)C2)CCC1 ZINC000831167968 603681436 /nfs/dbraw/zinc/68/14/36/603681436.db2.gz UQTUFAPMFQCPGD-LBPRGKRZSA-N -1 0 366.418 -0.297 20 0 FBADRM NC(=O)C(NC(=O)c1ccc2c(ccn2CCCNC(=O)[O-])c1)C(N)=O ZINC000831167999 603526551 /nfs/dbraw/zinc/52/65/51/603526551.db2.gz VMYMCCXHHWRWQW-UHFFFAOYSA-N -1 0 361.358 -0.632 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000831169899 602202615 /nfs/dbraw/zinc/20/26/15/602202615.db2.gz BADKMTWTYURMAU-UHFFFAOYSA-N -1 0 366.309 -0.701 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC000831169937 661145088 /nfs/dbraw/zinc/14/50/88/661145088.db2.gz BOWVPYSZVXIFLI-UHFFFAOYSA-N -1 0 362.360 -0.462 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC000831169992 601803365 /nfs/dbraw/zinc/80/33/65/601803365.db2.gz DONUYLLXZOXVOU-UHFFFAOYSA-N -1 0 362.360 -0.462 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000831170123 601860116 /nfs/dbraw/zinc/86/01/16/601860116.db2.gz GANSWZIVONOOLG-UHFFFAOYSA-N -1 0 373.387 -0.859 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000831170136 601402513 /nfs/dbraw/zinc/40/25/13/601402513.db2.gz GLAGWOLWNCUVMV-INIZCTEOSA-N -1 0 363.326 -0.559 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000831170137 601402614 /nfs/dbraw/zinc/40/26/14/601402614.db2.gz GLAGWOLWNCUVMV-MRXNPFEDSA-N -1 0 363.326 -0.559 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)N[C@@]2(CC(C)(C)OC2(C)C)C1=O ZINC000831170156 602193077 /nfs/dbraw/zinc/19/30/77/602193077.db2.gz HJNZQRLNGXMONU-INIZCTEOSA-N -1 0 371.390 -0.228 20 0 FBADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)N[C@]2(CC(C)(C)OC2(C)C)C1=O ZINC000831170157 602193216 /nfs/dbraw/zinc/19/32/16/602193216.db2.gz HJNZQRLNGXMONU-MRXNPFEDSA-N -1 0 371.390 -0.228 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000831170203 604305750 /nfs/dbraw/zinc/30/57/50/604305750.db2.gz JECNUZMHUMMJMH-INIZCTEOSA-N -1 0 363.326 -0.559 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000831170205 604305753 /nfs/dbraw/zinc/30/57/53/604305753.db2.gz JECNUZMHUMMJMH-MRXNPFEDSA-N -1 0 363.326 -0.559 20 0 FBADRM COC(=O)CN(CC(=O)[O-])Cn1nc(-c2cnccn2)n(C)c1=S ZINC000831170547 602193041 /nfs/dbraw/zinc/19/30/41/602193041.db2.gz PTDWMAAYXAINLR-UHFFFAOYSA-N -1 0 352.376 -0.075 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc(OC)c(S(N)(=O)=O)s1 ZINC000831170556 601547030 /nfs/dbraw/zinc/54/70/30/601547030.db2.gz QDXWRQOBUYFTGM-UHFFFAOYSA-N -1 0 366.373 -0.896 20 0 FBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC000831170571 604545879 /nfs/dbraw/zinc/54/58/79/604545879.db2.gz QXUALDKMXKIWPM-UHFFFAOYSA-N -1 0 366.374 -0.358 20 0 FBADRM NC(=O)C1CCC(NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1 ZINC000831170755 603568318 /nfs/dbraw/zinc/56/83/18/603568318.db2.gz AROZGAGDOGXVMB-UHFFFAOYSA-N -1 0 355.395 -0.848 20 0 FBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)O1 ZINC000831171135 604411223 /nfs/dbraw/zinc/41/12/23/604411223.db2.gz BVIRLEMSJLRXPO-GHMZBOCLSA-N -1 0 350.331 -0.136 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)O1 ZINC000831171136 604411445 /nfs/dbraw/zinc/41/14/45/604411445.db2.gz BVIRLEMSJLRXPO-MNOVXSKESA-N -1 0 350.331 -0.136 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)O1 ZINC000831171137 604411256 /nfs/dbraw/zinc/41/12/56/604411256.db2.gz BVIRLEMSJLRXPO-QWRGUYRKSA-N -1 0 350.331 -0.136 20 0 FBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)O1 ZINC000831171138 604411440 /nfs/dbraw/zinc/41/14/40/604411440.db2.gz BVIRLEMSJLRXPO-WDEREUQCSA-N -1 0 350.331 -0.136 20 0 FBADRM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000831171467 605222431 /nfs/dbraw/zinc/22/24/31/605222431.db2.gz DIQBOFKHALKXFB-GHMZBOCLSA-N -1 0 357.363 -0.835 20 0 FBADRM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000831171468 605222256 /nfs/dbraw/zinc/22/22/56/605222256.db2.gz DIQBOFKHALKXFB-MNOVXSKESA-N -1 0 357.363 -0.835 20 0 FBADRM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000831171469 605222377 /nfs/dbraw/zinc/22/23/77/605222377.db2.gz DIQBOFKHALKXFB-QWRGUYRKSA-N -1 0 357.363 -0.835 20 0 FBADRM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000831171470 605222321 /nfs/dbraw/zinc/22/23/21/605222321.db2.gz DIQBOFKHALKXFB-WDEREUQCSA-N -1 0 357.363 -0.835 20 0 FBADRM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000831171471 605338813 /nfs/dbraw/zinc/33/88/13/605338813.db2.gz DJZUMMFUMABGLP-NEPJUHHUSA-N -1 0 371.390 -0.445 20 0 FBADRM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000831171472 605338796 /nfs/dbraw/zinc/33/87/96/605338796.db2.gz DJZUMMFUMABGLP-NWDGAFQWSA-N -1 0 371.390 -0.445 20 0 FBADRM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000831171473 605338217 /nfs/dbraw/zinc/33/82/17/605338217.db2.gz DJZUMMFUMABGLP-RYUDHWBXSA-N -1 0 371.390 -0.445 20 0 FBADRM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000831171474 605338405 /nfs/dbraw/zinc/33/84/05/605338405.db2.gz DJZUMMFUMABGLP-VXGBXAGGSA-N -1 0 371.390 -0.445 20 0 FBADRM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000831172430 605818000 /nfs/dbraw/zinc/81/80/00/605818000.db2.gz IACCTFQPNAYJJS-GHMZBOCLSA-N -1 0 373.431 -0.119 20 0 FBADRM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000831172436 605818089 /nfs/dbraw/zinc/81/80/89/605818089.db2.gz IACCTFQPNAYJJS-MNOVXSKESA-N -1 0 373.431 -0.119 20 0 FBADRM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000831172438 605817816 /nfs/dbraw/zinc/81/78/16/605817816.db2.gz IACCTFQPNAYJJS-QWRGUYRKSA-N -1 0 373.431 -0.119 20 0 FBADRM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000831172440 605817691 /nfs/dbraw/zinc/81/76/91/605817691.db2.gz IACCTFQPNAYJJS-WDEREUQCSA-N -1 0 373.431 -0.119 20 0 FBADRM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000831173048 603918312 /nfs/dbraw/zinc/91/83/12/603918312.db2.gz LQBRMYDBRVJBSC-NEPJUHHUSA-N -1 0 371.390 -0.445 20 0 FBADRM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000831173049 603918429 /nfs/dbraw/zinc/91/84/29/603918429.db2.gz LQBRMYDBRVJBSC-NWDGAFQWSA-N -1 0 371.390 -0.445 20 0 FBADRM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000831173050 603918685 /nfs/dbraw/zinc/91/86/85/603918685.db2.gz LQBRMYDBRVJBSC-RYUDHWBXSA-N -1 0 371.390 -0.445 20 0 FBADRM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000831173304 603918370 /nfs/dbraw/zinc/91/83/70/603918370.db2.gz LQBRMYDBRVJBSC-VXGBXAGGSA-N -1 0 371.390 -0.445 20 0 FBADRM NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000831173808 603834263 /nfs/dbraw/zinc/83/42/63/603834263.db2.gz OLZOQLHQAKHXCX-NEPJUHHUSA-N -1 0 369.422 -0.458 20 0 FBADRM NC(=O)[C@H]1CCCCC[C@H]1NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000831173809 603833860 /nfs/dbraw/zinc/83/38/60/603833860.db2.gz OLZOQLHQAKHXCX-NWDGAFQWSA-N -1 0 369.422 -0.458 20 0 FBADRM NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000831173810 603833953 /nfs/dbraw/zinc/83/39/53/603833953.db2.gz OLZOQLHQAKHXCX-RYUDHWBXSA-N -1 0 369.422 -0.458 20 0 FBADRM NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000831173811 603834169 /nfs/dbraw/zinc/83/41/69/603834169.db2.gz OLZOQLHQAKHXCX-VXGBXAGGSA-N -1 0 369.422 -0.458 20 0 FBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)N2CCC(OCCCNC(=O)[O-])CC2)O1 ZINC000831174045 604355262 /nfs/dbraw/zinc/35/52/62/604355262.db2.gz QIPADCDXBZQLDC-CHWSQXEVSA-N -1 0 372.422 -0.132 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC(OCCCNC(=O)[O-])CC2)O1 ZINC000831174047 604355287 /nfs/dbraw/zinc/35/52/87/604355287.db2.gz QIPADCDXBZQLDC-OLZOCXBDSA-N -1 0 372.422 -0.132 20 0 FBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)N2CCC(OCCCNC(=O)[O-])CC2)O1 ZINC000831174049 604355172 /nfs/dbraw/zinc/35/51/72/604355172.db2.gz QIPADCDXBZQLDC-QWHCGFSZSA-N -1 0 372.422 -0.132 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC(OCCCNC(=O)[O-])CC2)O1 ZINC000831174051 604355418 /nfs/dbraw/zinc/35/54/18/604355418.db2.gz QIPADCDXBZQLDC-STQMWFEESA-N -1 0 372.422 -0.132 20 0 FBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)O1 ZINC000831174406 604379778 /nfs/dbraw/zinc/37/97/78/604379778.db2.gz SBGSSRALOYOOLW-CMPLNLGQSA-N -1 0 366.378 -0.644 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)O1 ZINC000831174407 604379710 /nfs/dbraw/zinc/37/97/10/604379710.db2.gz SBGSSRALOYOOLW-JQWIXIFHSA-N -1 0 366.378 -0.644 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)O1 ZINC000831174408 604379787 /nfs/dbraw/zinc/37/97/87/604379787.db2.gz SBGSSRALOYOOLW-PWSUYJOCSA-N -1 0 366.378 -0.644 20 0 FBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)O1 ZINC000831174409 604379602 /nfs/dbraw/zinc/37/96/02/604379602.db2.gz SBGSSRALOYOOLW-ZYHUDNBSSA-N -1 0 366.378 -0.644 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)Nc2cccc(CNC(=O)[O-])c2)O1 ZINC000831174519 604411427 /nfs/dbraw/zinc/41/14/27/604411427.db2.gz UVKVVUVNTQLMSB-NEPJUHHUSA-N -1 0 364.358 -0.458 20 0 FBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(CNC(=O)[O-])c2)O1 ZINC000831174520 604411461 /nfs/dbraw/zinc/41/14/61/604411461.db2.gz UVKVVUVNTQLMSB-NWDGAFQWSA-N -1 0 364.358 -0.458 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(CNC(=O)[O-])c2)O1 ZINC000831174521 604411389 /nfs/dbraw/zinc/41/13/89/604411389.db2.gz UVKVVUVNTQLMSB-RYUDHWBXSA-N -1 0 364.358 -0.458 20 0 FBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)C(=O)Nc2cccc(CNC(=O)[O-])c2)O1 ZINC000831174522 604411377 /nfs/dbraw/zinc/41/13/77/604411377.db2.gz UVKVVUVNTQLMSB-VXGBXAGGSA-N -1 0 364.358 -0.458 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)NCCCN2CCN(C(=O)[O-])CC2)O1 ZINC000831174567 604354271 /nfs/dbraw/zinc/35/42/71/604354271.db2.gz VTAIDOGOLQPXBX-NEPJUHHUSA-N -1 0 357.411 -0.996 20 0 FBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)NCCCN2CCN(C(=O)[O-])CC2)O1 ZINC000831174568 604354100 /nfs/dbraw/zinc/35/41/00/604354100.db2.gz VTAIDOGOLQPXBX-NWDGAFQWSA-N -1 0 357.411 -0.996 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)NCCCN2CCN(C(=O)[O-])CC2)O1 ZINC000831174569 604354248 /nfs/dbraw/zinc/35/42/48/604354248.db2.gz VTAIDOGOLQPXBX-RYUDHWBXSA-N -1 0 357.411 -0.996 20 0 FBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)NCCCN2CCN(C(=O)[O-])CC2)O1 ZINC000831174570 604354388 /nfs/dbraw/zinc/35/43/88/604354388.db2.gz VTAIDOGOLQPXBX-VXGBXAGGSA-N -1 0 357.411 -0.996 20 0 FBADRM NC(=O)[C@@H]1CC(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)=NN1c1ccccc1 ZINC000831174634 603626634 /nfs/dbraw/zinc/62/66/34/603626634.db2.gz WUUVUYYNADCFSI-GXTWGEPZSA-N -1 0 374.353 -0.029 20 0 FBADRM NC(=O)[C@@H]1CC(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)=NN1c1ccccc1 ZINC000831174635 603626703 /nfs/dbraw/zinc/62/67/03/603626703.db2.gz WUUVUYYNADCFSI-JSGCOSHPSA-N -1 0 374.353 -0.029 20 0 FBADRM NC(=O)[C@H]1CC(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)=NN1c1ccccc1 ZINC000831174636 603626142 /nfs/dbraw/zinc/62/61/42/603626142.db2.gz WUUVUYYNADCFSI-OCCSQVGLSA-N -1 0 374.353 -0.029 20 0 FBADRM NC(=O)[C@H]1CC(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)=NN1c1ccccc1 ZINC000831174637 603626115 /nfs/dbraw/zinc/62/61/15/603626115.db2.gz WUUVUYYNADCFSI-TZMCWYRMSA-N -1 0 374.353 -0.029 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)O1 ZINC000831174799 604411276 /nfs/dbraw/zinc/41/12/76/604411276.db2.gz ZPPIUTFBMNANQL-BDAKNGLRSA-N -1 0 351.319 -0.741 20 0 FBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)O1 ZINC000831174800 604411219 /nfs/dbraw/zinc/41/12/19/604411219.db2.gz ZPPIUTFBMNANQL-DTWKUNHWSA-N -1 0 351.319 -0.741 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)O1 ZINC000831174801 604411268 /nfs/dbraw/zinc/41/12/68/604411268.db2.gz ZPPIUTFBMNANQL-IUCAKERBSA-N -1 0 351.319 -0.741 20 0 FBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)O1 ZINC000831174802 604411225 /nfs/dbraw/zinc/41/12/25/604411225.db2.gz ZPPIUTFBMNANQL-RKDXNWHRSA-N -1 0 351.319 -0.741 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000831175184 600736857 /nfs/dbraw/zinc/73/68/57/600736857.db2.gz ISKUSBCOOZBWTC-UHFFFAOYSA-N -1 0 358.372 -0.082 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1cnn(-c2ccccn2)c1C ZINC000831175228 600736932 /nfs/dbraw/zinc/73/69/32/600736932.db2.gz JTYMRFJJAXSBCD-UHFFFAOYSA-N -1 0 368.371 -0.176 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(C(=O)OC)c1 ZINC000831175307 601235545 /nfs/dbraw/zinc/23/55/45/601235545.db2.gz KCLBYUKEPYCEBT-UHFFFAOYSA-N -1 0 363.319 -0.139 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000831175326 602318365 /nfs/dbraw/zinc/31/83/65/602318365.db2.gz KPSBIGXQZWUEDU-UHFFFAOYSA-N -1 0 354.340 -0.224 20 0 FBADRM COC(=O)CN(CCN1CCOCC1)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000831175386 601285802 /nfs/dbraw/zinc/28/58/02/601285802.db2.gz LWYMMGJXXZLAEA-UHFFFAOYSA-N -1 0 351.359 -0.273 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000831176063 661145152 /nfs/dbraw/zinc/14/51/52/661145152.db2.gz UKOVEDZLHAWFOP-UHFFFAOYSA-N -1 0 369.359 -0.875 20 0 FBADRM COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1csc(C(=O)OC)c1 ZINC000831176334 661145025 /nfs/dbraw/zinc/14/50/25/661145025.db2.gz YHWWFSOMLZPZRN-UHFFFAOYSA-N -1 0 351.358 -0.217 20 0 FBADRM NC(=O)C[C@@H](NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)C1CCOCC1 ZINC000831178000 605766655 /nfs/dbraw/zinc/76/66/55/605766655.db2.gz COBJRGUSPSVUCA-CHWSQXEVSA-N -1 0 357.407 -0.068 20 0 FBADRM NC(=O)C[C@H](NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)C1CCOCC1 ZINC000831178001 605766670 /nfs/dbraw/zinc/76/66/70/605766670.db2.gz COBJRGUSPSVUCA-OLZOCXBDSA-N -1 0 357.407 -0.068 20 0 FBADRM NC(=O)C[C@@H](NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1)C1CCOCC1 ZINC000831178002 605766399 /nfs/dbraw/zinc/76/63/99/605766399.db2.gz COBJRGUSPSVUCA-QWHCGFSZSA-N -1 0 357.407 -0.068 20 0 FBADRM NC(=O)C[C@H](NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1)C1CCOCC1 ZINC000831178003 605766580 /nfs/dbraw/zinc/76/65/80/605766580.db2.gz COBJRGUSPSVUCA-STQMWFEESA-N -1 0 357.407 -0.068 20 0 FBADRM NC(=O)C[C@@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)C1CCCCC1 ZINC000831178908 603745552 /nfs/dbraw/zinc/74/55/52/603745552.db2.gz NHNXILYNDOGLIB-GFCCVEGCSA-N -1 0 354.407 -0.251 20 0 FBADRM NC(=O)C[C@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)C1CCCCC1 ZINC000831178909 603745261 /nfs/dbraw/zinc/74/52/61/603745261.db2.gz NHNXILYNDOGLIB-LBPRGKRZSA-N -1 0 354.407 -0.251 20 0 FBADRM NC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(CNC(=O)[O-])c2)CCO1 ZINC000831178917 603709457 /nfs/dbraw/zinc/70/94/57/603709457.db2.gz NKQNNZRUJJIQOS-LLVKDONJSA-N -1 0 350.331 -0.895 20 0 FBADRM NC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(CNC(=O)[O-])c2)CCO1 ZINC000831178918 603709179 /nfs/dbraw/zinc/70/91/79/603709179.db2.gz NKQNNZRUJJIQOS-NSHDSACASA-N -1 0 350.331 -0.895 20 0 FBADRM NC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc3c2CCN3C(=O)[O-])CCO1 ZINC000831179004 604031785 /nfs/dbraw/zinc/03/17/85/604031785.db2.gz POPWLHNATCWGNS-GFCCVEGCSA-N -1 0 362.342 -0.622 20 0 FBADRM NC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2CCN3C(=O)[O-])CCO1 ZINC000831179005 604031629 /nfs/dbraw/zinc/03/16/29/604031629.db2.gz POPWLHNATCWGNS-LBPRGKRZSA-N -1 0 362.342 -0.622 20 0 FBADRM NC(=O)C[C@@H](NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])C1CCOCC1 ZINC000831179129 603766661 /nfs/dbraw/zinc/76/66/61/603766661.db2.gz SUIHRUKWKLODGZ-CHWSQXEVSA-N -1 0 357.407 -0.068 20 0 FBADRM NC(=O)C[C@H](NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])C1CCOCC1 ZINC000831179130 603766538 /nfs/dbraw/zinc/76/65/38/603766538.db2.gz SUIHRUKWKLODGZ-OLZOCXBDSA-N -1 0 357.407 -0.068 20 0 FBADRM NC(=O)C[C@@H](NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])C1CCOCC1 ZINC000831179131 603766903 /nfs/dbraw/zinc/76/69/03/603766903.db2.gz SUIHRUKWKLODGZ-QWHCGFSZSA-N -1 0 357.407 -0.068 20 0 FBADRM NC(=O)C[C@H](NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])C1CCOCC1 ZINC000831179132 603766910 /nfs/dbraw/zinc/76/69/10/603766910.db2.gz SUIHRUKWKLODGZ-STQMWFEESA-N -1 0 357.407 -0.068 20 0 FBADRM COC(=O)CNC(=O)CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000831179415 600700284 /nfs/dbraw/zinc/70/02/84/600700284.db2.gz AQGAKELZPJMQHF-UHFFFAOYSA-N -1 0 364.763 -0.394 20 0 FBADRM COC(=O)CNC(=O)CNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000831179818 601212059 /nfs/dbraw/zinc/21/20/59/601212059.db2.gz GDSQABIAIYBLJU-DAXSKMNVSA-N -1 0 356.356 -0.648 20 0 FBADRM COC(=O)CNC(=O)CNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000831179819 601212070 /nfs/dbraw/zinc/21/20/70/601212070.db2.gz GDSQABIAIYBLJU-QPJJXVBHSA-N -1 0 356.356 -0.648 20 0 FBADRM COC(=O)CNC(=O)c1ccc(NC(=O)Cn2cc(C(=O)[O-])nn2)cc1 ZINC000831179934 601194720 /nfs/dbraw/zinc/19/47/20/601194720.db2.gz ITHCLYODDROHJW-UHFFFAOYSA-N -1 0 361.314 -0.482 20 0 FBADRM COC(=O)CNC(=O)CNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000831180241 601568978 /nfs/dbraw/zinc/56/89/78/601568978.db2.gz PPWQDYBGCHDUOL-UHFFFAOYSA-N -1 0 366.298 -0.770 20 0 FBADRM COC(=O)CNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000831180280 601833954 /nfs/dbraw/zinc/83/39/54/601833954.db2.gz QPOXWUBGCPEIDU-UHFFFAOYSA-N -1 0 364.763 -0.394 20 0 FBADRM COC(=O)CNC(=O)CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000831180316 601229533 /nfs/dbraw/zinc/22/95/33/601229533.db2.gz RQMZEQSZZSBJAW-UHFFFAOYSA-N -1 0 366.298 -0.770 20 0 FBADRM COC(=O)CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000831180482 601212076 /nfs/dbraw/zinc/21/20/76/601212076.db2.gz UWAWNWDQUZVCAT-UHFFFAOYSA-N -1 0 358.372 -0.431 20 0 FBADRM COC(=O)CNC(=O)CNS(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000831180691 601211973 /nfs/dbraw/zinc/21/19/73/601211973.db2.gz ZUDMAYHELAOPDX-UHFFFAOYSA-N -1 0 366.373 -0.978 20 0 FBADRM NC(=O)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000831183655 604572672 /nfs/dbraw/zinc/57/26/72/604572672.db2.gz AJRNDHMXLGAPIS-LLVKDONJSA-N -1 0 364.358 -0.252 20 0 FBADRM NC(=O)CCOc1ccc(NC(=O)C(=O)N2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000831183660 605118594 /nfs/dbraw/zinc/11/85/94/605118594.db2.gz AJRNDHMXLGAPIS-NSHDSACASA-N -1 0 364.358 -0.252 20 0 FBADRM NC(=O)CCNC(=O)c1ccccc1NC(=O)COC1CN(C(=O)[O-])C1 ZINC000831184014 603766924 /nfs/dbraw/zinc/76/69/24/603766924.db2.gz DLAPBJDOWPBPSK-UHFFFAOYSA-N -1 0 364.358 -0.391 20 0 FBADRM NC(=O)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000831184020 603715889 /nfs/dbraw/zinc/71/58/89/603715889.db2.gz DOSSDLWLKVGMRU-LLVKDONJSA-N -1 0 364.358 -0.252 20 0 FBADRM NC(=O)CCOc1ccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000831184022 603715847 /nfs/dbraw/zinc/71/58/47/603715847.db2.gz DOSSDLWLKVGMRU-NSHDSACASA-N -1 0 364.358 -0.252 20 0 FBADRM NC(=O)C[C@H]1CCCN(C(=O)NCCCN2CCN(C(=O)[O-])CC2)C1 ZINC000831184059 604029497 /nfs/dbraw/zinc/02/94/97/604029497.db2.gz DTYIODKDZNGNOX-CYBMUJFWSA-N -1 0 355.439 -0.031 20 0 FBADRM NC(=O)C[C@@H]1CCCN(C(=O)NCCCN2CCN(C(=O)[O-])CC2)C1 ZINC000831184064 604029141 /nfs/dbraw/zinc/02/91/41/604029141.db2.gz DTYIODKDZNGNOX-ZDUSSCGKSA-N -1 0 355.439 -0.031 20 0 FBADRM NC(=O)CCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)[O-])CC2)cc1 ZINC000831184073 603698982 /nfs/dbraw/zinc/69/89/82/603698982.db2.gz DXQKUIKRXJNSPZ-UHFFFAOYSA-N -1 0 364.358 -0.299 20 0 FBADRM COC(=O)COc1cccc(CNS(=O)(=O)N(C)CCC(=O)[O-])c1 ZINC000831184357 601262354 /nfs/dbraw/zinc/26/23/54/601262354.db2.gz BIXIYJAYMNAXKO-UHFFFAOYSA-N -1 0 360.388 -0.021 20 0 FBADRM NC(=O)CCNC(=O)c1cccc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831184466 604830214 /nfs/dbraw/zinc/83/02/14/604830214.db2.gz JRPXUCJKQOJUDR-GFCCVEGCSA-N -1 0 364.358 -0.391 20 0 FBADRM NC(=O)CCNC(=O)c1cccc(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831184468 604830040 /nfs/dbraw/zinc/83/00/40/604830040.db2.gz JRPXUCJKQOJUDR-LBPRGKRZSA-N -1 0 364.358 -0.391 20 0 FBADRM NC(=O)CCN(C(=O)Cn1nnnc1CNC(=O)[O-])c1ccc(F)cc1 ZINC000831184815 605178691 /nfs/dbraw/zinc/17/86/91/605178691.db2.gz NGFPWDVGQCPGIM-UHFFFAOYSA-N -1 0 365.325 -0.512 20 0 FBADRM COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)CNC(=O)[O-])cc1 ZINC000831184992 601992697 /nfs/dbraw/zinc/99/26/97/601992697.db2.gz KSQSUKACJRPSAJ-UHFFFAOYSA-N -1 0 358.372 -0.342 20 0 FBADRM NC(=O)CCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000831185115 603748932 /nfs/dbraw/zinc/74/89/32/603748932.db2.gz QNCNNQOFVMLKAZ-NEPJUHHUSA-N -1 0 364.358 -0.657 20 0 FBADRM NC(=O)CCNC(=O)c1cccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000831185116 603748924 /nfs/dbraw/zinc/74/89/24/603748924.db2.gz QNCNNQOFVMLKAZ-NWDGAFQWSA-N -1 0 364.358 -0.657 20 0 FBADRM NC(=O)CCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000831185118 603748975 /nfs/dbraw/zinc/74/89/75/603748975.db2.gz QNCNNQOFVMLKAZ-RYUDHWBXSA-N -1 0 364.358 -0.657 20 0 FBADRM NC(=O)CCNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000831185120 603748858 /nfs/dbraw/zinc/74/88/58/603748858.db2.gz QNCNNQOFVMLKAZ-VXGBXAGGSA-N -1 0 364.358 -0.657 20 0 FBADRM NC(=O)CC[C@H](C(=O)NCCNC(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000831185269 603569373 /nfs/dbraw/zinc/56/93/73/603569373.db2.gz SBLLKYDAUKOOHX-LLVKDONJSA-N -1 0 362.342 -0.700 20 0 FBADRM NC(=O)CC[C@@H](C(=O)NCCNC(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000831185277 603569245 /nfs/dbraw/zinc/56/92/45/603569245.db2.gz SBLLKYDAUKOOHX-NSHDSACASA-N -1 0 362.342 -0.700 20 0 FBADRM NC(=O)CC[C@H](C(=O)NC1CN(C(=O)[O-])C1)N1C(=O)c2ccccc2C1=O ZINC000831185617 604950575 /nfs/dbraw/zinc/95/05/75/604950575.db2.gz WUMVYMRUWCIDSD-GFCCVEGCSA-N -1 0 374.353 -0.605 20 0 FBADRM NC(=O)CC[C@@H](C(=O)NC1CN(C(=O)[O-])C1)N1C(=O)c2ccccc2C1=O ZINC000831185618 604950602 /nfs/dbraw/zinc/95/06/02/604950602.db2.gz WUMVYMRUWCIDSD-LBPRGKRZSA-N -1 0 374.353 -0.605 20 0 FBADRM NC(=O)C[C@H]1CCCN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000831185630 604029196 /nfs/dbraw/zinc/02/91/96/604029196.db2.gz WYUJPZYXLQJILF-LLVKDONJSA-N -1 0 355.395 -0.894 20 0 FBADRM NC(=O)C[C@@H]1CCCN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000831185631 604029308 /nfs/dbraw/zinc/02/93/08/604029308.db2.gz WYUJPZYXLQJILF-NSHDSACASA-N -1 0 355.395 -0.894 20 0 FBADRM NC(=O)CCNC(=O)c1cccc(NC(=O)COC2CN(C(=O)[O-])C2)c1 ZINC000831185662 604000081 /nfs/dbraw/zinc/00/00/81/604000081.db2.gz XTUZPERBCHIYPI-UHFFFAOYSA-N -1 0 364.358 -0.391 20 0 FBADRM NC(=O)CCNC(=O)c1ccccc1NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000831185723 604824479 /nfs/dbraw/zinc/82/44/79/604824479.db2.gz ZFEFNNNHFUJGFZ-GFCCVEGCSA-N -1 0 364.358 -0.391 20 0 FBADRM NC(=O)CCNC(=O)c1ccccc1NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000831185724 604824631 /nfs/dbraw/zinc/82/46/31/604824631.db2.gz ZFEFNNNHFUJGFZ-LBPRGKRZSA-N -1 0 364.358 -0.391 20 0 FBADRM NC(=O)CNC(=O)c1cccc(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831189540 604709202 /nfs/dbraw/zinc/70/92/02/604709202.db2.gz AVVHOHJXMWOMII-GFCCVEGCSA-N -1 0 364.358 -0.391 20 0 FBADRM NC(=O)CNC(=O)c1cccc(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831189541 604709185 /nfs/dbraw/zinc/70/91/85/604709185.db2.gz AVVHOHJXMWOMII-LBPRGKRZSA-N -1 0 364.358 -0.391 20 0 FBADRM NC(=O)CNC(=O)c1cccc(NC(=O)COC2CN(C(=O)[O-])C2)c1 ZINC000831189587 603977830 /nfs/dbraw/zinc/97/78/30/603977830.db2.gz CFHNKKSZLMYKDW-UHFFFAOYSA-N -1 0 350.331 -0.781 20 0 FBADRM NC(=O)CNC(=O)c1cccc(NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)c1 ZINC000831189776 603977647 /nfs/dbraw/zinc/97/76/47/603977647.db2.gz GBESSLYOBUDHAY-HNNXBMFYSA-N -1 0 352.322 -0.068 20 0 FBADRM NC(=O)CNC(=O)c1cccc(NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)c1 ZINC000831189777 603977741 /nfs/dbraw/zinc/97/77/41/603977741.db2.gz GBESSLYOBUDHAY-OAHLLOKOSA-N -1 0 352.322 -0.068 20 0 FBADRM NC(=O)CNC(=O)c1cccc(OC(=O)[C@@H]2CSCN2C(=O)[O-])c1 ZINC000831189942 603452106 /nfs/dbraw/zinc/45/21/06/603452106.db2.gz HPRGSGNCVYISJR-JTQLQIEISA-N -1 0 353.356 -0.140 20 0 FBADRM NC(=O)CNC(=O)c1cccc(OC(=O)[C@H]2CSCN2C(=O)[O-])c1 ZINC000831189946 603452362 /nfs/dbraw/zinc/45/23/62/603452362.db2.gz HPRGSGNCVYISJR-SNVBAGLBSA-N -1 0 353.356 -0.140 20 0 FBADRM NC(=O)CNC(=O)c1cccc(OC(=O)[C@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831190033 605081925 /nfs/dbraw/zinc/08/19/25/605081925.db2.gz KXJKIVPYWPMXLL-LLVKDONJSA-N -1 0 351.315 -0.814 20 0 FBADRM NC(=O)CNC(=O)c1cccc(OC(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831190034 605081758 /nfs/dbraw/zinc/08/17/58/605081758.db2.gz KXJKIVPYWPMXLL-NSHDSACASA-N -1 0 351.315 -0.814 20 0 FBADRM NC(=O)CNC(=O)c1ccc(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000831190097 604792081 /nfs/dbraw/zinc/79/20/81/604792081.db2.gz MJORHJKFKKPETD-GFCCVEGCSA-N -1 0 364.358 -0.391 20 0 FBADRM NC(=O)CNC(=O)c1ccc(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000831190098 604791764 /nfs/dbraw/zinc/79/17/64/604791764.db2.gz MJORHJKFKKPETD-LBPRGKRZSA-N -1 0 364.358 -0.391 20 0 FBADRM NC(=O)CN1CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])CC1 ZINC000831190121 604035164 /nfs/dbraw/zinc/03/51/64/604035164.db2.gz NEMMEJURFVAMQK-GJZGRUSLSA-N -1 0 350.419 -0.671 20 0 FBADRM NC(=O)CNC(=O)c1ccc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000831190129 604791864 /nfs/dbraw/zinc/79/18/64/604791864.db2.gz NJRHWFOZUVMHFY-LLVKDONJSA-N -1 0 350.331 -0.781 20 0 FBADRM NC(=O)CNC(=O)c1ccc(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000831190130 604791761 /nfs/dbraw/zinc/79/17/61/604791761.db2.gz NJRHWFOZUVMHFY-NSHDSACASA-N -1 0 350.331 -0.781 20 0 FBADRM NC(=O)CNC(=O)c1ccc(NC(=O)COC2CN(C(=O)[O-])C2)cc1 ZINC000831190136 603992378 /nfs/dbraw/zinc/99/23/78/603992378.db2.gz NKGSYHUUZYSINI-UHFFFAOYSA-N -1 0 350.331 -0.781 20 0 FBADRM NC(=O)CN1C[C@H](OC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])CC1=O ZINC000831190244 604158639 /nfs/dbraw/zinc/15/86/39/604158639.db2.gz QWRLURVAFACZKD-FGNRJIRKSA-N -1 0 353.375 -0.073 20 0 FBADRM NC(=O)CN1C[C@@H](OC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])CC1=O ZINC000831190245 604158737 /nfs/dbraw/zinc/15/87/37/604158737.db2.gz QWRLURVAFACZKD-YATPEIPISA-N -1 0 353.375 -0.073 20 0 FBADRM NC(=O)CNC(=O)c1cccc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831190298 604708919 /nfs/dbraw/zinc/70/89/19/604708919.db2.gz SOMUZUOVEHSHQB-LLVKDONJSA-N -1 0 350.331 -0.781 20 0 FBADRM NC(=O)CNC(=O)c1cccc(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831190299 604708874 /nfs/dbraw/zinc/70/88/74/604708874.db2.gz SOMUZUOVEHSHQB-NSHDSACASA-N -1 0 350.331 -0.781 20 0 FBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)cc1 ZINC000831190321 603846736 /nfs/dbraw/zinc/84/67/36/603846736.db2.gz TZZXKVYXYHSCJJ-INIZCTEOSA-N -1 0 366.349 -0.390 20 0 FBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)cc1 ZINC000831190322 603846842 /nfs/dbraw/zinc/84/68/42/603846842.db2.gz TZZXKVYXYHSCJJ-MRXNPFEDSA-N -1 0 366.349 -0.390 20 0 FBADRM NC(=O)CNC(=O)c1cccc(OC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831190385 605081833 /nfs/dbraw/zinc/08/18/33/605081833.db2.gz VGMDMVQOQBCATM-GFCCVEGCSA-N -1 0 365.342 -0.424 20 0 FBADRM NC(=O)CNC(=O)c1cccc(OC(=O)C[C@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831190386 605081827 /nfs/dbraw/zinc/08/18/27/605081827.db2.gz VGMDMVQOQBCATM-LBPRGKRZSA-N -1 0 365.342 -0.424 20 0 FBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000831190387 603485419 /nfs/dbraw/zinc/48/54/19/603485419.db2.gz VHSCGAOZDYTEJZ-CHWSQXEVSA-N -1 0 362.386 -0.046 20 0 FBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000831190388 603485476 /nfs/dbraw/zinc/48/54/76/603485476.db2.gz VHSCGAOZDYTEJZ-OLZOCXBDSA-N -1 0 362.386 -0.046 20 0 FBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000831190389 603485444 /nfs/dbraw/zinc/48/54/44/603485444.db2.gz VHSCGAOZDYTEJZ-QWHCGFSZSA-N -1 0 362.386 -0.046 20 0 FBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000831190390 603485438 /nfs/dbraw/zinc/48/54/38/603485438.db2.gz VHSCGAOZDYTEJZ-STQMWFEESA-N -1 0 362.386 -0.046 20 0 FBADRM NC(=O)CNC(=O)c1ccc(OC(=O)[C@@H]2CSCN2C(=O)[O-])cc1 ZINC000831190433 603452427 /nfs/dbraw/zinc/45/24/27/603452427.db2.gz WYSZRVBMWJIAHK-JTQLQIEISA-N -1 0 353.356 -0.140 20 0 FBADRM NC(=O)CNC(=O)c1ccc(OC(=O)[C@H]2CSCN2C(=O)[O-])cc1 ZINC000831190434 603452266 /nfs/dbraw/zinc/45/22/66/603452266.db2.gz WYSZRVBMWJIAHK-SNVBAGLBSA-N -1 0 353.356 -0.140 20 0 FBADRM NC(=O)CNC(=O)c1cccc(OC(=O)[C@]2(F)CCN(C(=O)[O-])C2)c1 ZINC000831190521 604158328 /nfs/dbraw/zinc/15/83/28/604158328.db2.gz ZUTUGZUZFAEPOK-HNNXBMFYSA-N -1 0 353.306 -0.101 20 0 FBADRM NC(=O)CNC(=O)c1cccc(OC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)c1 ZINC000831190522 604158348 /nfs/dbraw/zinc/15/83/48/604158348.db2.gz ZUTUGZUZFAEPOK-OAHLLOKOSA-N -1 0 353.306 -0.101 20 0 FBADRM NC(=O)CNC(=O)c1ccc(NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)cc1 ZINC000831190525 603868583 /nfs/dbraw/zinc/86/85/83/603868583.db2.gz ZYFDXMFBFXOVAT-HNNXBMFYSA-N -1 0 352.322 -0.068 20 0 FBADRM NC(=O)CNC(=O)c1ccc(NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)cc1 ZINC000831190526 603868410 /nfs/dbraw/zinc/86/84/10/603868410.db2.gz ZYFDXMFBFXOVAT-OAHLLOKOSA-N -1 0 352.322 -0.068 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)NC2(CC(=O)[O-])CCOCC2)cn1 ZINC000831192104 601270234 /nfs/dbraw/zinc/27/02/34/601270234.db2.gz AIDLUGDXWXXRIY-UHFFFAOYSA-N -1 0 361.376 -0.642 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cn1 ZINC000831192119 601260442 /nfs/dbraw/zinc/26/04/42/601260442.db2.gz AZWVMNDXBIISJU-LLVKDONJSA-N -1 0 374.419 -0.774 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cn1 ZINC000831192120 601260580 /nfs/dbraw/zinc/26/05/80/601260580.db2.gz AZWVMNDXBIISJU-NSHDSACASA-N -1 0 374.419 -0.774 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCSC[C@H]2CC(=O)[O-])cn1 ZINC000831192138 600756221 /nfs/dbraw/zinc/75/62/21/600756221.db2.gz BXPYXJRZNGJZQE-SECBINFHSA-N -1 0 363.417 -0.363 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N2CCSC[C@@H]2CC(=O)[O-])cn1 ZINC000831192139 600756373 /nfs/dbraw/zinc/75/63/73/600756373.db2.gz BXPYXJRZNGJZQE-VIFPVBQESA-N -1 0 363.417 -0.363 20 0 FBADRM COC(=O)Cc1csc(NC(=O)CN2CCO[C@@H](CC(=O)[O-])C2)n1 ZINC000831192148 601573165 /nfs/dbraw/zinc/57/31/65/601573165.db2.gz CIMKLSWDTIGCKL-JTQLQIEISA-N -1 0 357.388 -0.027 20 0 FBADRM COC(=O)Cc1csc(NC(=O)CN2CCO[C@H](CC(=O)[O-])C2)n1 ZINC000831192149 601573306 /nfs/dbraw/zinc/57/33/06/601573306.db2.gz CIMKLSWDTIGCKL-SNVBAGLBSA-N -1 0 357.388 -0.027 20 0 FBADRM COC(=O)Cc1csc(NC(=O)CN2CCNC(=O)[C@H]2CC(=O)[O-])n1 ZINC000831192150 602351052 /nfs/dbraw/zinc/35/10/52/602351052.db2.gz CKVLJJRVNLBJLN-SECBINFHSA-N -1 0 370.387 -0.928 20 0 FBADRM COC(=O)Cc1csc(NC(=O)CN2CCNC(=O)[C@@H]2CC(=O)[O-])n1 ZINC000831192151 602350992 /nfs/dbraw/zinc/35/09/92/602350992.db2.gz CKVLJJRVNLBJLN-VIFPVBQESA-N -1 0 370.387 -0.928 20 0 FBADRM COC(=O)N(C)CC(=O)N(C)CC(C)(C)CNC(=O)CN(C)C(=O)[O-] ZINC000831192332 601442771 /nfs/dbraw/zinc/44/27/71/601442771.db2.gz GXWCNHYVJZEOSQ-UHFFFAOYSA-N -1 0 360.411 -0.105 20 0 FBADRM COC(=O)Cc1csc(N(C)S(=O)(=O)c2cnn(CC(=O)[O-])c2)n1 ZINC000831192401 600985941 /nfs/dbraw/zinc/98/59/41/600985941.db2.gz KUQSVHHIRRBFDC-UHFFFAOYSA-N -1 0 374.400 -0.035 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N(CC(=O)[O-])C2CCOCC2)cn1 ZINC000831192559 600989830 /nfs/dbraw/zinc/98/98/30/600989830.db2.gz NZMASJFEQPHJPJ-UHFFFAOYSA-N -1 0 361.376 -0.690 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N(C)[C@H](COC(C)C)C(=O)[O-])cn1 ZINC000831192981 602228977 /nfs/dbraw/zinc/22/89/77/602228977.db2.gz XVRJNWHFRYNZCY-LLVKDONJSA-N -1 0 363.392 -0.445 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])cn1 ZINC000831192983 602228923 /nfs/dbraw/zinc/22/89/23/602228923.db2.gz XVRJNWHFRYNZCY-NSHDSACASA-N -1 0 363.392 -0.445 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N(C)c2nc(CC(=O)[O-])cs2)cn1 ZINC000831192994 600985691 /nfs/dbraw/zinc/98/56/91/600985691.db2.gz YRFPRDCATRZUMI-UHFFFAOYSA-N -1 0 374.400 -0.035 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN2C(=O)[O-])cc1 ZINC000831193803 602888107 /nfs/dbraw/zinc/88/81/07/602888107.db2.gz AESWZDPFWYYXRL-LLVKDONJSA-N -1 0 369.399 -0.182 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000831193805 602887861 /nfs/dbraw/zinc/88/78/61/602887861.db2.gz AESWZDPFWYYXRL-NSHDSACASA-N -1 0 369.399 -0.182 20 0 FBADRM NC(=O)COc1cccc(CNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831193929 604964933 /nfs/dbraw/zinc/96/49/33/604964933.db2.gz CVYTVJXWRCKMQJ-CYBMUJFWSA-N -1 0 351.359 -0.064 20 0 FBADRM NC(=O)COc1cccc(CNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831193931 604965276 /nfs/dbraw/zinc/96/52/76/604965276.db2.gz CVYTVJXWRCKMQJ-ZDUSSCGKSA-N -1 0 351.359 -0.064 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000831193951 602940208 /nfs/dbraw/zinc/94/02/08/602940208.db2.gz DFWKYJFQTRIFFA-LLVKDONJSA-N -1 0 369.399 -0.182 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000831193952 602940219 /nfs/dbraw/zinc/94/02/19/602940219.db2.gz DFWKYJFQTRIFFA-NSHDSACASA-N -1 0 369.399 -0.182 20 0 FBADRM NC(=O)COc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CNC(=O)[O-])cc1 ZINC000831194084 604199513 /nfs/dbraw/zinc/19/95/13/604199513.db2.gz GFXGIDBGNAABSC-LLVKDONJSA-N -1 0 364.358 -0.252 20 0 FBADRM NC(=O)COc1ccc(NC(=O)C(=O)N2CCC[C@H]2CNC(=O)[O-])cc1 ZINC000831194086 604199585 /nfs/dbraw/zinc/19/95/85/604199585.db2.gz GFXGIDBGNAABSC-NSHDSACASA-N -1 0 364.358 -0.252 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2CNC(=O)[O-])cc1 ZINC000831194150 603137179 /nfs/dbraw/zinc/13/71/79/603137179.db2.gz HQQILNCIZHXAED-LLVKDONJSA-N -1 0 369.399 -0.182 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2CNC(=O)[O-])cc1 ZINC000831194151 603137165 /nfs/dbraw/zinc/13/71/65/603137165.db2.gz HQQILNCIZHXAED-NSHDSACASA-N -1 0 369.399 -0.182 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)[O-])CC2)cc1 ZINC000831194161 603347175 /nfs/dbraw/zinc/34/71/75/603347175.db2.gz HXLNUHUACJNCIW-UHFFFAOYSA-N -1 0 369.399 -0.182 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000831194165 605125479 /nfs/dbraw/zinc/12/54/79/605125479.db2.gz IGTRKHLRRWXBIK-JTQLQIEISA-N -1 0 355.372 -0.572 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000831194238 604477601 /nfs/dbraw/zinc/47/76/01/604477601.db2.gz IGTRKHLRRWXBIK-SNVBAGLBSA-N -1 0 355.372 -0.572 20 0 FBADRM NC(=O)COc1ccc(NC(=O)C(=O)NC2CCN(C(=O)[O-])CC2)cc1 ZINC000831194319 604176590 /nfs/dbraw/zinc/17/65/90/604176590.db2.gz KISGQHWRHSGSFB-UHFFFAOYSA-N -1 0 364.358 -0.252 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](NC(=O)[O-])C2)cc1 ZINC000831194333 603385046 /nfs/dbraw/zinc/38/50/46/603385046.db2.gz LEPARSRWBAJQND-LLVKDONJSA-N -1 0 369.399 -0.182 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](NC(=O)[O-])C2)cc1 ZINC000831194334 603385073 /nfs/dbraw/zinc/38/50/73/603385073.db2.gz LEPARSRWBAJQND-NSHDSACASA-N -1 0 369.399 -0.182 20 0 FBADRM NC(=O)COc1cccc(NC(=O)C(=O)N2CCC[C@@H]2CNC(=O)[O-])c1 ZINC000831194364 604199282 /nfs/dbraw/zinc/19/92/82/604199282.db2.gz MEMYEUMDMSXJCM-LLVKDONJSA-N -1 0 364.358 -0.252 20 0 FBADRM NC(=O)COc1cccc(NC(=O)C(=O)N2CCC[C@H]2CNC(=O)[O-])c1 ZINC000831194365 604199465 /nfs/dbraw/zinc/19/94/65/604199465.db2.gz MEMYEUMDMSXJCM-NSHDSACASA-N -1 0 364.358 -0.252 20 0 FBADRM NC(=O)CSc1ccccc1NC(=O)Cn1nnnc1CNC(=O)[O-] ZINC000831194438 604033079 /nfs/dbraw/zinc/03/30/79/604033079.db2.gz MERCSEDBURXSLD-UHFFFAOYSA-N -1 0 365.375 -0.343 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)NCCN(C(=O)[O-])C2CC2)cc1 ZINC000831194807 602827577 /nfs/dbraw/zinc/82/75/77/602827577.db2.gz SDCQOXUPMTUPLO-UHFFFAOYSA-N -1 0 369.399 -0.182 20 0 FBADRM NC(=O)COc1cccc(NC(=O)C(=O)NC2CCN(C(=O)[O-])CC2)c1 ZINC000831194846 604176632 /nfs/dbraw/zinc/17/66/32/604176632.db2.gz SQNHPMYGBLZUJJ-UHFFFAOYSA-N -1 0 364.358 -0.252 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)O[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000831194887 603448717 /nfs/dbraw/zinc/44/87/17/603448717.db2.gz UCTUYRZZHGBBGE-JTQLQIEISA-N -1 0 356.356 -0.145 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000831194889 603442153 /nfs/dbraw/zinc/44/21/53/603442153.db2.gz UCTUYRZZHGBBGE-SNVBAGLBSA-N -1 0 356.356 -0.145 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCCN(C(=O)[O-])CC2)cc1 ZINC000831194900 603378818 /nfs/dbraw/zinc/37/88/18/603378818.db2.gz UFTVCDMMRDBAKQ-UHFFFAOYSA-N -1 0 369.399 -0.229 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)[O-])CC2)cc1 ZINC000831194969 603347139 /nfs/dbraw/zinc/34/71/39/603347139.db2.gz VCZPWFYDTAABDC-UHFFFAOYSA-N -1 0 369.399 -0.182 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](CNC(=O)[O-])C2)cc1 ZINC000831194982 602805716 /nfs/dbraw/zinc/80/57/16/602805716.db2.gz VRCSWVPUZVSGGM-JTQLQIEISA-N -1 0 369.399 -0.325 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CC[C@H](CNC(=O)[O-])C2)cc1 ZINC000831194987 602805774 /nfs/dbraw/zinc/80/57/74/602805774.db2.gz VRCSWVPUZVSGGM-SNVBAGLBSA-N -1 0 369.399 -0.325 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N[C@H](CNC(=O)[O-])C2CC2)cc1 ZINC000831194994 661145394 /nfs/dbraw/zinc/14/53/94/661145394.db2.gz VVVODNGAUOEXTE-GFCCVEGCSA-N -1 0 369.399 -0.278 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)cc1 ZINC000831194995 661145504 /nfs/dbraw/zinc/14/55/04/661145504.db2.gz VVVODNGAUOEXTE-LBPRGKRZSA-N -1 0 369.399 -0.278 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[O-])CC2)cc1 ZINC000831195265 603272755 /nfs/dbraw/zinc/27/27/55/603272755.db2.gz YWOBTXKXDUKWQG-UHFFFAOYSA-N -1 0 355.372 -0.619 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000831195268 602911411 /nfs/dbraw/zinc/91/14/11/602911411.db2.gz YYGPVKQUGNPMDI-JTQLQIEISA-N -1 0 355.372 -0.572 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000831195270 602911505 /nfs/dbraw/zinc/91/15/05/602911505.db2.gz YYGPVKQUGNPMDI-SNVBAGLBSA-N -1 0 355.372 -0.572 20 0 FBADRM COC(=O)N1CC(NC(=O)C[C@@H](C)CCC(=O)NC2CN(C(=O)[O-])C2)C1 ZINC000831198225 604950560 /nfs/dbraw/zinc/95/05/60/604950560.db2.gz BMSWJXWQXFQQGY-JTQLQIEISA-N -1 0 370.406 -0.162 20 0 FBADRM COC(=O)N1CC(NC(=O)C[C@H](C)CCC(=O)NC2CN(C(=O)[O-])C2)C1 ZINC000831198226 604950185 /nfs/dbraw/zinc/95/01/85/604950185.db2.gz BMSWJXWQXFQQGY-SNVBAGLBSA-N -1 0 370.406 -0.162 20 0 FBADRM COC(=O)N1CC(NC(=O)CCCCC(=O)NC2CN(C(=O)[O-])C2)C1 ZINC000831198369 604751457 /nfs/dbraw/zinc/75/14/57/604751457.db2.gz IXULIDXKUFXYBV-UHFFFAOYSA-N -1 0 356.379 -0.408 20 0 FBADRM COC(=O)N(C)CC(=O)N1C[C@@H]2CCCN(C(=O)CN(C)C(=O)[O-])[C@@H]2C1 ZINC000831198577 601438185 /nfs/dbraw/zinc/43/81/85/601438185.db2.gz NTRHEBXJUKHXEF-NWDGAFQWSA-N -1 0 370.406 -0.256 20 0 FBADRM COC(=O)N1CC(NC(=O)c2ccc(-n3[nH]c(CC(=O)[O-])cc3=O)cc2)C1 ZINC000831198581 604952105 /nfs/dbraw/zinc/95/21/05/604952105.db2.gz NYPDRTPQMPYYFC-UHFFFAOYSA-N -1 0 374.353 -0.027 20 0 FBADRM COC(=O)N1CC(NC(=O)C(C)(C)CCC(=O)NC2CN(C(=O)[O-])C2)C1 ZINC000831198699 604950646 /nfs/dbraw/zinc/95/06/46/604950646.db2.gz OXGCVZYAWSRHKZ-UHFFFAOYSA-N -1 0 370.406 -0.162 20 0 FBADRM COC(=O)N1CC(NC(=O)CCC(C)(C)C(=O)NC2CN(C(=O)[O-])C2)C1 ZINC000831198738 604950178 /nfs/dbraw/zinc/95/01/78/604950178.db2.gz QFNPHJBRDMBJNV-UHFFFAOYSA-N -1 0 370.406 -0.162 20 0 FBADRM COC(=O)N(C)CC(=O)NC[C@H]1CCC[C@H]1NC(=O)CN(C)C(=O)[O-] ZINC000831198773 601139243 /nfs/dbraw/zinc/13/92/43/601139243.db2.gz QQJJXVINGVKPRQ-GHMZBOCLSA-N -1 0 358.395 -0.305 20 0 FBADRM COC(=O)N(C)CC(=O)NC[C@H]1CCC[C@@H]1NC(=O)CN(C)C(=O)[O-] ZINC000831198793 601139247 /nfs/dbraw/zinc/13/92/47/601139247.db2.gz QQJJXVINGVKPRQ-MNOVXSKESA-N -1 0 358.395 -0.305 20 0 FBADRM COC(=O)N(C)CC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)CN(C)C(=O)[O-] ZINC000831198795 601139318 /nfs/dbraw/zinc/13/93/18/601139318.db2.gz QQJJXVINGVKPRQ-QWRGUYRKSA-N -1 0 358.395 -0.305 20 0 FBADRM COC(=O)N(C)CC(=O)NC[C@@H]1CCC[C@H]1NC(=O)CN(C)C(=O)[O-] ZINC000831198796 601139178 /nfs/dbraw/zinc/13/91/78/601139178.db2.gz QQJJXVINGVKPRQ-WDEREUQCSA-N -1 0 358.395 -0.305 20 0 FBADRM COC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CN(C)C(=O)[O-] ZINC000831198847 601139235 /nfs/dbraw/zinc/13/92/35/601139235.db2.gz SANBKDOMNVHJKH-GHMZBOCLSA-N -1 0 358.395 -0.305 20 0 FBADRM COC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]1CNC(=O)CN(C)C(=O)[O-] ZINC000831198848 601139289 /nfs/dbraw/zinc/13/92/89/601139289.db2.gz SANBKDOMNVHJKH-MNOVXSKESA-N -1 0 358.395 -0.305 20 0 FBADRM COC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1CNC(=O)CN(C)C(=O)[O-] ZINC000831198850 601139286 /nfs/dbraw/zinc/13/92/86/601139286.db2.gz SANBKDOMNVHJKH-QWRGUYRKSA-N -1 0 358.395 -0.305 20 0 FBADRM COC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]1CNC(=O)CN(C)C(=O)[O-] ZINC000831198852 601139227 /nfs/dbraw/zinc/13/92/27/601139227.db2.gz SANBKDOMNVHJKH-WDEREUQCSA-N -1 0 358.395 -0.305 20 0 FBADRM COC(=O)N1CC(NC(=O)c2ccc(C(=O)NC3CN(C(=O)[O-])C3)o2)C1 ZINC000831198898 604948922 /nfs/dbraw/zinc/94/89/22/604948922.db2.gz SJLAHJODHSDCCU-UHFFFAOYSA-N -1 0 366.330 -0.448 20 0 FBADRM COC(=O)N(C)CC(=O)NCC(C)(C)CN(C)C(=O)CN(C)C(=O)[O-] ZINC000831198930 601442852 /nfs/dbraw/zinc/44/28/52/601442852.db2.gz UJLBVTRXMAKVJF-UHFFFAOYSA-N -1 0 360.411 -0.105 20 0 FBADRM COC(=O)N1CC(NC(=O)C2(C(=O)NC3CN(C(=O)[O-])C3)CCC2)C1 ZINC000831199000 604954253 /nfs/dbraw/zinc/95/42/53/604954253.db2.gz VQQZPAWVMUIIJD-UHFFFAOYSA-N -1 0 354.363 -0.798 20 0 FBADRM COC(=O)N1CC(NC(=O)CC[C@H](C)CC(=O)NC2CN(C(=O)[O-])C2)C1 ZINC000831199110 604950113 /nfs/dbraw/zinc/95/01/13/604950113.db2.gz XWTPAPTXEUZOKN-JTQLQIEISA-N -1 0 370.406 -0.162 20 0 FBADRM COC(=O)N1CC(NC(=O)CC[C@@H](C)CC(=O)NC2CN(C(=O)[O-])C2)C1 ZINC000831199111 604950584 /nfs/dbraw/zinc/95/05/84/604950584.db2.gz XWTPAPTXEUZOKN-SNVBAGLBSA-N -1 0 370.406 -0.162 20 0 FBADRM COC(=O)N(C)CC(=O)N1CCC[C@H]2CN(C(=O)CN(C)C(=O)[O-])C[C@H]21 ZINC000831199143 601438203 /nfs/dbraw/zinc/43/82/03/601438203.db2.gz ZGXMTKHIHSIOBE-NWDGAFQWSA-N -1 0 370.406 -0.256 20 0 FBADRM COC(=O)N1CC(NC(=O)CCCCCC(=O)NC2CN(C(=O)[O-])C2)C1 ZINC000831199150 604752340 /nfs/dbraw/zinc/75/23/40/604752340.db2.gz ZMNMWMGVBAEWMN-UHFFFAOYSA-N -1 0 370.406 -0.018 20 0 FBADRM NC(=O)Cn1cc(NC(=O)C(=O)NCCc2ccc(NC(=O)[O-])cc2)cn1 ZINC000831199425 603590228 /nfs/dbraw/zinc/59/02/28/603590228.db2.gz BSBZXHDNFCIZON-UHFFFAOYSA-N -1 0 374.357 -0.244 20 0 FBADRM NC(=O)Cn1cc(NC(=O)C(=O)Nc2cccc3c2CCN3C(=O)[O-])cn1 ZINC000831199445 604030485 /nfs/dbraw/zinc/03/04/85/604030485.db2.gz CKQJIXQDHPJBOB-UHFFFAOYSA-N -1 0 372.341 -0.014 20 0 FBADRM NC(=O)Cn1cc(C(=O)Nc2nc3c(s2)CN(C(=O)[O-])CC3)nn1 ZINC000831199560 602893417 /nfs/dbraw/zinc/89/34/17/602893417.db2.gz CSVOCCZEEPRXBK-UHFFFAOYSA-N -1 0 351.348 -0.492 20 0 FBADRM NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000831199577 603481057 /nfs/dbraw/zinc/48/10/57/603481057.db2.gz DQALSQJFJZCFJN-MNOVXSKESA-N -1 0 355.395 -0.848 20 0 FBADRM NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000831199578 603481347 /nfs/dbraw/zinc/48/13/47/603481347.db2.gz DQALSQJFJZCFJN-QWRGUYRKSA-N -1 0 355.395 -0.848 20 0 FBADRM NC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)cn1 ZINC000831199594 604187186 /nfs/dbraw/zinc/18/71/86/604187186.db2.gz FHYHOGDRWMHKDP-GFCCVEGCSA-N -1 0 374.357 -0.568 20 0 FBADRM NC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](NC(=O)[O-])c2ccccc2)cn1 ZINC000831199595 604186983 /nfs/dbraw/zinc/18/69/83/604186983.db2.gz FHYHOGDRWMHKDP-LBPRGKRZSA-N -1 0 374.357 -0.568 20 0 FBADRM NC(=O)Cn1cc(C(=O)N2CCC([C@H]3CCCN3C(=O)[O-])CC2)nn1 ZINC000831199616 603422436 /nfs/dbraw/zinc/42/24/36/603422436.db2.gz FWBFPKWMZJBWDO-GFCCVEGCSA-N -1 0 350.379 -0.242 20 0 FBADRM NC(=O)Cn1cc(C(=O)N2CCC([C@@H]3CCCN3C(=O)[O-])CC2)nn1 ZINC000831199617 603422448 /nfs/dbraw/zinc/42/24/48/603422448.db2.gz FWBFPKWMZJBWDO-LBPRGKRZSA-N -1 0 350.379 -0.242 20 0 FBADRM NC(=O)Cn1cc(C(=O)N2CCN(C(=O)[O-])CC23CCCCC3)nn1 ZINC000831199986 605750113 /nfs/dbraw/zinc/75/01/13/605750113.db2.gz PJQAQQIRLHURKZ-UHFFFAOYSA-N -1 0 350.379 -0.098 20 0 FBADRM NC(=O)Cn1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])nn1 ZINC000831200044 602777929 /nfs/dbraw/zinc/77/79/29/602777929.db2.gz QZPWOSNUYXLLQE-NEPJUHHUSA-N -1 0 350.379 -0.100 20 0 FBADRM NC(=O)Cn1cc(C(=O)N2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])nn1 ZINC000831200045 602778033 /nfs/dbraw/zinc/77/80/33/602778033.db2.gz QZPWOSNUYXLLQE-NWDGAFQWSA-N -1 0 350.379 -0.100 20 0 FBADRM NC(=O)Cn1cc(C(=O)N2CCCC[C@H]2[C@@H]2CCCN2C(=O)[O-])nn1 ZINC000831200046 602778348 /nfs/dbraw/zinc/77/83/48/602778348.db2.gz QZPWOSNUYXLLQE-RYUDHWBXSA-N -1 0 350.379 -0.100 20 0 FBADRM NC(=O)Cn1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])nn1 ZINC000831200047 602777983 /nfs/dbraw/zinc/77/79/83/602777983.db2.gz QZPWOSNUYXLLQE-VXGBXAGGSA-N -1 0 350.379 -0.100 20 0 FBADRM NC(=O)NC(=O)CCN1C(=O)N[C@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O ZINC000831200070 603405577 /nfs/dbraw/zinc/40/55/77/603405577.db2.gz RNOOIVKWGHDUJN-CLAHSXSESA-N -1 0 355.351 -0.680 20 0 FBADRM NC(=O)NC(=O)CCN1C(=O)N[C@@]2(CCCC[C@H]2CNC(=O)[O-])C1=O ZINC000831200071 603405604 /nfs/dbraw/zinc/40/56/04/603405604.db2.gz RNOOIVKWGHDUJN-RMLUDKJBSA-N -1 0 355.351 -0.680 20 0 FBADRM NC(=O)NC(=O)CCN1C(=O)N[C@]2(CCCC[C@H]2CNC(=O)[O-])C1=O ZINC000831200072 603405784 /nfs/dbraw/zinc/40/57/84/603405784.db2.gz RNOOIVKWGHDUJN-RTHLEPHNSA-N -1 0 355.351 -0.680 20 0 FBADRM NC(=O)NC(=O)CCN1C(=O)N[C@@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O ZINC000831200073 603405582 /nfs/dbraw/zinc/40/55/82/603405582.db2.gz RNOOIVKWGHDUJN-XLKFXECMSA-N -1 0 355.351 -0.680 20 0 FBADRM NC(=O)Cn1cc(NC(=O)C(=O)Nc2cccc(CNC(=O)[O-])c2)cn1 ZINC000831200082 603703231 /nfs/dbraw/zinc/70/32/31/603703231.db2.gz RVAWAQAQISRUBB-UHFFFAOYSA-N -1 0 360.330 -0.287 20 0 FBADRM NC(=O)Cn1cc(C(=O)OC[C@@]2(C(F)(F)F)CCN(C(=O)[O-])C2)nn1 ZINC000831200098 603684410 /nfs/dbraw/zinc/68/44/10/603684410.db2.gz SKXGJWWOOADNOR-LLVKDONJSA-N -1 0 365.268 -0.147 20 0 FBADRM NC(=O)Cn1cc(C(=O)OC[C@]2(C(F)(F)F)CCN(C(=O)[O-])C2)nn1 ZINC000831200099 603684965 /nfs/dbraw/zinc/68/49/65/603684965.db2.gz SKXGJWWOOADNOR-NSHDSACASA-N -1 0 365.268 -0.147 20 0 FBADRM NC(=O)Cn1cc(C(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)nn1 ZINC000831200100 604244656 /nfs/dbraw/zinc/24/46/56/604244656.db2.gz SNNPRQFZNXRPKK-UHFFFAOYSA-N -1 0 350.379 -0.242 20 0 FBADRM NC(=O)NC(=O)C1CCC(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000831200224 605723784 /nfs/dbraw/zinc/72/37/84/605723784.db2.gz XLBBVBVVAGZJSK-ILDUYXDCSA-N -1 0 356.379 -0.375 20 0 FBADRM NC(=O)NC(=O)C1CCC(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000831200225 605724954 /nfs/dbraw/zinc/72/49/54/605724954.db2.gz XLBBVBVVAGZJSK-VQXHTEKXSA-N -1 0 356.379 -0.375 20 0 FBADRM NC(=O)Cn1cc(C(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)nn1 ZINC000831200233 602789651 /nfs/dbraw/zinc/78/96/51/602789651.db2.gz XQIZXMKOUUQODO-CMPLNLGQSA-N -1 0 350.379 -0.242 20 0 FBADRM NC(=O)Cn1cc(C(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)nn1 ZINC000831200234 602789672 /nfs/dbraw/zinc/78/96/72/602789672.db2.gz XQIZXMKOUUQODO-JQWIXIFHSA-N -1 0 350.379 -0.242 20 0 FBADRM NC(=O)Cn1cc(C(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)nn1 ZINC000831200235 602789568 /nfs/dbraw/zinc/78/95/68/602789568.db2.gz XQIZXMKOUUQODO-PWSUYJOCSA-N -1 0 350.379 -0.242 20 0 FBADRM NC(=O)Cn1cc(C(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)nn1 ZINC000831200236 602789440 /nfs/dbraw/zinc/78/94/40/602789440.db2.gz XQIZXMKOUUQODO-ZYHUDNBSSA-N -1 0 350.379 -0.242 20 0 FBADRM NC(=O)Cn1cc(C(=O)Nc2ccc(N3CCN(C(=O)[O-])CC3)cn2)nn1 ZINC000831200301 602812455 /nfs/dbraw/zinc/81/24/55/602812455.db2.gz ZBISXLOGGGUODZ-UHFFFAOYSA-N -1 0 374.361 -0.789 20 0 FBADRM COC(=O)NCC(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000831202736 601992877 /nfs/dbraw/zinc/99/28/77/601992877.db2.gz ABKULPXOKVOTNZ-UHFFFAOYSA-N -1 0 358.372 -0.342 20 0 FBADRM COC(=O)NCCC(=O)N1CCC[C@H]2CN(C(=O)CCNC(=O)[O-])C[C@H]21 ZINC000831202831 601383123 /nfs/dbraw/zinc/38/31/23/601383123.db2.gz BTENSXOGZCDUDQ-NWDGAFQWSA-N -1 0 370.406 -0.160 20 0 FBADRM COC(=O)NCC(=O)N[C@H](CNC(=O)CNC(=O)[O-])c1ccccc1 ZINC000831203189 661145569 /nfs/dbraw/zinc/14/55/69/661145569.db2.gz GNOMBXULLJCGDO-LLVKDONJSA-N -1 0 352.347 -0.416 20 0 FBADRM COC(=O)NCC(=O)N[C@@H](CNC(=O)CNC(=O)[O-])c1ccccc1 ZINC000831203190 661145561 /nfs/dbraw/zinc/14/55/61/661145561.db2.gz GNOMBXULLJCGDO-NSHDSACASA-N -1 0 352.347 -0.416 20 0 FBADRM COC(=O)NCCC(=O)N1C[C@@H]2CCCN(C(=O)CCNC(=O)[O-])[C@@H]2C1 ZINC000831203422 601383150 /nfs/dbraw/zinc/38/31/50/601383150.db2.gz HGUTYQIUHOITJE-NWDGAFQWSA-N -1 0 370.406 -0.160 20 0 FBADRM COC(=O)NCC(=O)NCC1CCC(CNC(=O)CNC(=O)[O-])CC1 ZINC000831203490 600937293 /nfs/dbraw/zinc/93/72/93/600937293.db2.gz JKIQTHZKFVDKDW-UHFFFAOYSA-N -1 0 358.395 -0.351 20 0 FBADRM COC(=O)NCC(=O)NC[C@@H](NC(=O)CNC(=O)[O-])c1ccccc1 ZINC000831204124 661145443 /nfs/dbraw/zinc/14/54/43/661145443.db2.gz NTWTVQMOJHRDNS-LLVKDONJSA-N -1 0 352.347 -0.416 20 0 FBADRM COC(=O)NCC(=O)NC[C@H](NC(=O)CNC(=O)[O-])c1ccccc1 ZINC000831204126 661145546 /nfs/dbraw/zinc/14/55/46/661145546.db2.gz NTWTVQMOJHRDNS-NSHDSACASA-N -1 0 352.347 -0.416 20 0 FBADRM COC(=O)NCC(=O)NC1C(C)(C)C(NC(=O)CNC(=O)[O-])C1(C)C ZINC000831204556 601244771 /nfs/dbraw/zinc/24/47/71/601244771.db2.gz WPXUYOVENHTPSD-UHFFFAOYSA-N -1 0 358.395 -0.354 20 0 FBADRM NC(=O)NCCCCCC(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000831208142 603955785 /nfs/dbraw/zinc/95/57/85/603955785.db2.gz LASXXTWYLJNERF-UHFFFAOYSA-N -1 0 368.398 -0.228 20 0 FBADRM NC(=O)NCCC(=O)Nc1cccc(S(=O)(=O)NCCNC(=O)[O-])c1 ZINC000831208513 603612979 /nfs/dbraw/zinc/61/29/79/603612979.db2.gz QQGZKUZIHGNZPM-UHFFFAOYSA-N -1 0 373.391 -0.771 20 0 FBADRM NC(=O)NCCCCC(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000831208848 603959658 /nfs/dbraw/zinc/95/96/58/603959658.db2.gz WLEUVPFPJSIGAY-UHFFFAOYSA-N -1 0 354.371 -0.618 20 0 FBADRM NC(=O)NC1CCN(C(=O)NCCCN2CCN(C(=O)[O-])CC2)CC1 ZINC000831208897 603746172 /nfs/dbraw/zinc/74/61/72/603746172.db2.gz WNTRRTXIKGQFAI-UHFFFAOYSA-N -1 0 356.427 -0.486 20 0 FBADRM NC(=O)c1cc(CNC(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)on1 ZINC000831214565 605715430 /nfs/dbraw/zinc/71/54/30/605715430.db2.gz ADOAGCSHBKVALI-UHFFFAOYSA-N -1 0 363.334 -0.390 20 0 FBADRM NC(=O)c1cc(NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)cc(C(N)=O)c1 ZINC000831214588 605252053 /nfs/dbraw/zinc/25/20/53/605252053.db2.gz BBJMYWUKFFPKSM-GFCCVEGCSA-N -1 0 364.358 -0.018 20 0 FBADRM NC(=O)c1cc(NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)cc(C(N)=O)c1 ZINC000831214591 605252071 /nfs/dbraw/zinc/25/20/71/605252071.db2.gz BBJMYWUKFFPKSM-LBPRGKRZSA-N -1 0 364.358 -0.018 20 0 FBADRM NC(=O)c1cc(NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])cc(C(N)=O)c1 ZINC000831214821 603448575 /nfs/dbraw/zinc/44/85/75/603448575.db2.gz FMGXOXFYPURLSH-GFCCVEGCSA-N -1 0 364.358 -0.018 20 0 FBADRM NC(=O)c1cc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])cc(C(N)=O)c1 ZINC000831214824 603448879 /nfs/dbraw/zinc/44/88/79/603448879.db2.gz FMGXOXFYPURLSH-LBPRGKRZSA-N -1 0 364.358 -0.018 20 0 FBADRM NC(=O)c1cc(Cl)nnc1N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000831215355 603443425 /nfs/dbraw/zinc/44/34/25/603443425.db2.gz KEYJUYFTJDQFGI-MRVPVSSYSA-N -1 0 370.797 -0.171 20 0 FBADRM NC(=O)c1cc(Cl)nnc1N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000831215367 603442941 /nfs/dbraw/zinc/44/29/41/603442941.db2.gz KEYJUYFTJDQFGI-QMMMGPOBSA-N -1 0 370.797 -0.171 20 0 FBADRM NC(=O)c1cc([C@@H]2CCCN(C(=O)COC3CN(C(=O)[O-])C3)C2)n[nH]1 ZINC000831216259 604020119 /nfs/dbraw/zinc/02/01/19/604020119.db2.gz QJCPEWNKVXAZCX-SECBINFHSA-N -1 0 351.363 -0.407 20 0 FBADRM NC(=O)c1cc([C@H]2CCCN(C(=O)COC3CN(C(=O)[O-])C3)C2)n[nH]1 ZINC000831216260 604020288 /nfs/dbraw/zinc/02/02/88/604020288.db2.gz QJCPEWNKVXAZCX-VIFPVBQESA-N -1 0 351.363 -0.407 20 0 FBADRM NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)C2)n[nH]1 ZINC000831216406 604969194 /nfs/dbraw/zinc/96/91/94/604969194.db2.gz QQVRHETYCHQFSZ-BXKDBHETSA-N -1 0 351.363 -0.407 20 0 FBADRM NC(=O)c1cc([C@H]2CCCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)C2)n[nH]1 ZINC000831216408 604969320 /nfs/dbraw/zinc/96/93/20/604969320.db2.gz QQVRHETYCHQFSZ-CABZTGNLSA-N -1 0 351.363 -0.407 20 0 FBADRM NC(=O)c1cc([C@H]2CCCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)C2)n[nH]1 ZINC000831216409 604969312 /nfs/dbraw/zinc/96/93/12/604969312.db2.gz QQVRHETYCHQFSZ-JOYOIKCWSA-N -1 0 351.363 -0.407 20 0 FBADRM NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)C2)n[nH]1 ZINC000831216411 604969082 /nfs/dbraw/zinc/96/90/82/604969082.db2.gz QQVRHETYCHQFSZ-SKDRFNHKSA-N -1 0 351.363 -0.407 20 0 FBADRM NC(=O)c1cc(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)cc(C(N)=O)c1 ZINC000831216833 604807220 /nfs/dbraw/zinc/80/72/20/604807220.db2.gz VHAFWJBLIZHUKY-LLVKDONJSA-N -1 0 350.331 -0.408 20 0 FBADRM NC(=O)c1cc(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)cc(C(N)=O)c1 ZINC000831216834 604806968 /nfs/dbraw/zinc/80/69/68/604806968.db2.gz VHAFWJBLIZHUKY-NSHDSACASA-N -1 0 350.331 -0.408 20 0 FBADRM NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])C2)n[nH]1 ZINC000831216941 603861369 /nfs/dbraw/zinc/86/13/69/603861369.db2.gz XCHORVMZOXXMHC-KBVBSXBZSA-N -1 0 351.363 -0.672 20 0 FBADRM NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])C2)n[nH]1 ZINC000831216942 603861392 /nfs/dbraw/zinc/86/13/92/603861392.db2.gz XCHORVMZOXXMHC-LNLATYFQSA-N -1 0 351.363 -0.672 20 0 FBADRM NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])C2)n[nH]1 ZINC000831216943 603861352 /nfs/dbraw/zinc/86/13/52/603861352.db2.gz XCHORVMZOXXMHC-PTRXPTGYSA-N -1 0 351.363 -0.672 20 0 FBADRM NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])C2)n[nH]1 ZINC000831216944 603861107 /nfs/dbraw/zinc/86/11/07/603861107.db2.gz XCHORVMZOXXMHC-VDDIYKPWSA-N -1 0 351.363 -0.672 20 0 FBADRM NC(=O)c1cc([C@@H]2CCCN(C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)C2)n[nH]1 ZINC000831216960 604968912 /nfs/dbraw/zinc/96/89/12/604968912.db2.gz XGGVCZFERMTCRU-GHMZBOCLSA-N -1 0 365.390 -0.017 20 0 FBADRM NC(=O)c1cc([C@@H]2CCCN(C(=O)C[C@H]3CN(C(=O)[O-])CCO3)C2)n[nH]1 ZINC000831216962 604969218 /nfs/dbraw/zinc/96/92/18/604969218.db2.gz XGGVCZFERMTCRU-MNOVXSKESA-N -1 0 365.390 -0.017 20 0 FBADRM NC(=O)c1cc([C@H]2CCCN(C(=O)C[C@H]3CN(C(=O)[O-])CCO3)C2)n[nH]1 ZINC000831216964 604969378 /nfs/dbraw/zinc/96/93/78/604969378.db2.gz XGGVCZFERMTCRU-QWRGUYRKSA-N -1 0 365.390 -0.017 20 0 FBADRM NC(=O)c1cc([C@H]2CCCN(C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)C2)n[nH]1 ZINC000831216966 604969290 /nfs/dbraw/zinc/96/92/90/604969290.db2.gz XGGVCZFERMTCRU-WDEREUQCSA-N -1 0 365.390 -0.017 20 0 FBADRM NC(=O)c1c[nH]c(C(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)c1 ZINC000831217086 603437883 /nfs/dbraw/zinc/43/78/83/603437883.db2.gz YABOJQUJFMJKDK-SECBINFHSA-N -1 0 351.363 -0.650 20 0 FBADRM NC(=O)c1c[nH]c(C(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)c1 ZINC000831217088 603437915 /nfs/dbraw/zinc/43/79/15/603437915.db2.gz YABOJQUJFMJKDK-VIFPVBQESA-N -1 0 351.363 -0.650 20 0 FBADRM NC(=O)c1c2c(sc1NC(=O)Cn1nnnc1CNC(=O)[O-])CCC2 ZINC000831217131 604030241 /nfs/dbraw/zinc/03/02/41/604030241.db2.gz YRFKISDVHNVMAS-UHFFFAOYSA-N -1 0 365.375 -0.272 20 0 FBADRM NC(=O)c1ccc(CNC(=O)NCCN2CCN(C(=O)[O-])CC2)cn1 ZINC000831222500 604003668 /nfs/dbraw/zinc/00/36/68/604003668.db2.gz JNFZJXRSOJEIAB-UHFFFAOYSA-N -1 0 350.379 -0.725 20 0 FBADRM NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)COC1CN(C(=O)[O-])C1 ZINC000831222593 603744313 /nfs/dbraw/zinc/74/43/13/603744313.db2.gz MLMBVQOREJVSIW-LLVKDONJSA-N -1 0 364.358 -0.242 20 0 FBADRM NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)COC1CN(C(=O)[O-])C1 ZINC000831222594 603744325 /nfs/dbraw/zinc/74/43/25/603744325.db2.gz MLMBVQOREJVSIW-NSHDSACASA-N -1 0 364.358 -0.242 20 0 FBADRM NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000831222726 605250234 /nfs/dbraw/zinc/25/02/34/605250234.db2.gz PQCFDAYKFCDWTO-NEPJUHHUSA-N -1 0 364.358 -0.242 20 0 FBADRM NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000831222728 605250342 /nfs/dbraw/zinc/25/03/42/605250342.db2.gz PQCFDAYKFCDWTO-NWDGAFQWSA-N -1 0 364.358 -0.242 20 0 FBADRM NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000831222730 605250125 /nfs/dbraw/zinc/25/01/25/605250125.db2.gz PQCFDAYKFCDWTO-RYUDHWBXSA-N -1 0 364.358 -0.242 20 0 FBADRM NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000831222732 605250001 /nfs/dbraw/zinc/25/00/01/605250001.db2.gz PQCFDAYKFCDWTO-VXGBXAGGSA-N -1 0 364.358 -0.242 20 0 FBADRM NC(=O)c1ccc(CNC(=O)NCCCN2CCN(C(=O)[O-])CC2)cn1 ZINC000831222756 604004731 /nfs/dbraw/zinc/00/47/31/604004731.db2.gz QBVLWWKWDSSORE-UHFFFAOYSA-N -1 0 364.406 -0.335 20 0 FBADRM NC(=O)c1ccc(CNC(=O)NCCCN2CCN(C(=O)[O-])CC2)o1 ZINC000831222930 603844465 /nfs/dbraw/zinc/84/44/65/603844465.db2.gz SSURWYXRUXUBDK-UHFFFAOYSA-N -1 0 353.379 -0.137 20 0 FBADRM NC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)cn1 ZINC000831223090 604042737 /nfs/dbraw/zinc/04/27/37/604042737.db2.gz VSLCGMBSECLLRX-UHFFFAOYSA-N -1 0 358.314 -0.080 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)NCC(=O)OC[C@H]2CCCN2C(=O)[O-])c[nH]1 ZINC000831223194 604272778 /nfs/dbraw/zinc/27/27/78/604272778.db2.gz YEMMMGPEFFOEPF-MRVPVSSYSA-N -1 0 374.375 -0.923 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)NCC(=O)OC[C@@H]2CCCN2C(=O)[O-])c[nH]1 ZINC000831223197 604272731 /nfs/dbraw/zinc/27/27/31/604272731.db2.gz YEMMMGPEFFOEPF-QMMMGPOBSA-N -1 0 374.375 -0.923 20 0 FBADRM NC(=O)c1ccc(C(=O)Nc2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)nc1 ZINC000831223277 603957848 /nfs/dbraw/zinc/95/78/48/603957848.db2.gz YUMFMMZROZLNPB-UHFFFAOYSA-N -1 0 360.334 -0.649 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])CC2)cc1 ZINC000831229148 603816369 /nfs/dbraw/zinc/81/63/69/603816369.db2.gz AYXYBPUCEKMXNL-KBPBESRZSA-N -1 0 362.386 -0.453 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])CC2)cc1 ZINC000831229149 603816458 /nfs/dbraw/zinc/81/64/58/603816458.db2.gz AYXYBPUCEKMXNL-KGLIPLIRSA-N -1 0 362.386 -0.453 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])CC2)cc1 ZINC000831229150 603816260 /nfs/dbraw/zinc/81/62/60/603816260.db2.gz AYXYBPUCEKMXNL-UONOGXRCSA-N -1 0 362.386 -0.453 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])CC2)cc1 ZINC000831229151 603816222 /nfs/dbraw/zinc/81/62/22/603816222.db2.gz AYXYBPUCEKMXNL-ZIAGYGMSSA-N -1 0 362.386 -0.453 20 0 FBADRM NC(=O)c1ccc(N2CCC[C@@H](C(=O)N3CCN(C(=O)[O-])CC3)C2)nn1 ZINC000831229183 603518512 /nfs/dbraw/zinc/51/85/12/603518512.db2.gz CFYKXBJQGYQCPJ-LLVKDONJSA-N -1 0 362.390 -0.386 20 0 FBADRM NC(=O)c1ccc(N2CCC[C@H](C(=O)N3CCN(C(=O)[O-])CC3)C2)nn1 ZINC000831229184 603518736 /nfs/dbraw/zinc/51/87/36/603518736.db2.gz CFYKXBJQGYQCPJ-NSHDSACASA-N -1 0 362.390 -0.386 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)[C@]3(F)CCN(C(=O)[O-])C3)CC2)nc1 ZINC000831229563 603839910 /nfs/dbraw/zinc/83/99/10/603839910.db2.gz KFHLOWNRWCRVAP-INIZCTEOSA-N -1 0 365.365 -0.079 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)[C@@]3(F)CCN(C(=O)[O-])C3)CC2)nc1 ZINC000831229564 603840322 /nfs/dbraw/zinc/84/03/22/603840322.db2.gz KFHLOWNRWCRVAP-MRXNPFEDSA-N -1 0 365.365 -0.079 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)COC3CN(C(=O)[O-])C3)CC2)cc1 ZINC000831229619 604013031 /nfs/dbraw/zinc/01/30/31/604013031.db2.gz MCBGNSPUPZWTFZ-UHFFFAOYSA-N -1 0 362.386 -0.187 20 0 FBADRM NC(=O)c1ccc(NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c(F)c1 ZINC000831229627 603558556 /nfs/dbraw/zinc/55/85/56/603558556.db2.gz MJCVWTYNQVXWAL-UHFFFAOYSA-N -1 0 367.337 -0.132 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)CC2)cc1 ZINC000831229679 604864021 /nfs/dbraw/zinc/86/40/21/604864021.db2.gz OTTKOZUEIQVBCJ-AWEZNQCLSA-N -1 0 362.386 -0.187 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)CC2)cc1 ZINC000831229680 604864158 /nfs/dbraw/zinc/86/41/58/604864158.db2.gz OTTKOZUEIQVBCJ-CQSZACIVSA-N -1 0 362.386 -0.187 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)COC3CN(C(=O)[O-])C3)CC2)nc1 ZINC000831229716 603471426 /nfs/dbraw/zinc/47/14/26/603471426.db2.gz QAJUNUDNDNYCJM-UHFFFAOYSA-N -1 0 363.374 -0.792 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)CC2)nc1 ZINC000831229913 605263365 /nfs/dbraw/zinc/26/33/65/605263365.db2.gz WZEHXZJNQPPTOY-GFCCVEGCSA-N -1 0 363.374 -0.792 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)CC2)nc1 ZINC000831229914 605263337 /nfs/dbraw/zinc/26/33/37/605263337.db2.gz WZEHXZJNQPPTOY-LBPRGKRZSA-N -1 0 363.374 -0.792 20 0 FBADRM COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CN1C[C@@H](O)[C@@H](O)C1 ZINC000831230654 601155632 /nfs/dbraw/zinc/15/56/32/601155632.db2.gz GTOXKBRGYCLUGN-OCAPTIKFSA-N -1 0 358.372 -0.483 20 0 FBADRM COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CN1C[C@H](O)C[C@H](O)C1 ZINC000831230799 601557128 /nfs/dbraw/zinc/55/71/28/601557128.db2.gz MQTRGWPACWJKNK-DTORHVGOSA-N -1 0 372.399 -0.093 20 0 FBADRM NC(=O)c1ccc(OCCC(=O)NCCN2CCN(C(=O)[O-])CC2)cc1 ZINC000831234644 604051840 /nfs/dbraw/zinc/05/18/40/604051840.db2.gz SUCDVDFBIIKQBH-UHFFFAOYSA-N -1 0 364.402 -0.034 20 0 FBADRM NC(=O)c1cccc(C(=O)Nc2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)c1 ZINC000831234829 603956522 /nfs/dbraw/zinc/95/65/22/603956522.db2.gz WULLFYOCHWNPJE-UHFFFAOYSA-N -1 0 359.346 -0.044 20 0 FBADRM NC(=O)c1cccc(OCCC(=O)NCCN2CCN(C(=O)[O-])CC2)c1 ZINC000831234856 603529417 /nfs/dbraw/zinc/52/94/17/603529417.db2.gz XPGODRINCIRSIJ-UHFFFAOYSA-N -1 0 364.402 -0.034 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)NCCCN2CCN(C(=O)[O-])CC2)cc1 ZINC000831234932 603912574 /nfs/dbraw/zinc/91/25/74/603912574.db2.gz ZFTZRNJRTHYJHO-UHFFFAOYSA-N -1 0 370.431 -0.251 20 0 FBADRM COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)N=c1nc[nH]n1C ZINC000831235936 602307141 /nfs/dbraw/zinc/30/71/41/602307141.db2.gz FASULWYLHIGYIO-UHFFFAOYSA-N -1 0 360.373 -0.107 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2C[C@H](CO)OC[C@H]2C)c1 ZINC000831236578 604395962 /nfs/dbraw/zinc/39/59/62/604395962.db2.gz WYMSECFLSYFRQI-BXKDBHETSA-N -1 0 373.383 -0.058 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2C[C@@H](CO)OC[C@@H]2C)c1 ZINC000831236579 604396108 /nfs/dbraw/zinc/39/61/08/604396108.db2.gz WYMSECFLSYFRQI-CABZTGNLSA-N -1 0 373.383 -0.058 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2C[C@H](CO)OC[C@@H]2C)c1 ZINC000831236580 604395883 /nfs/dbraw/zinc/39/58/83/604395883.db2.gz WYMSECFLSYFRQI-JOYOIKCWSA-N -1 0 373.383 -0.058 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2C[C@@H](CO)OC[C@H]2C)c1 ZINC000831236581 604395936 /nfs/dbraw/zinc/39/59/36/604395936.db2.gz WYMSECFLSYFRQI-SKDRFNHKSA-N -1 0 373.383 -0.058 20 0 FBADRM COC(=O)c1cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])ccn1 ZINC000831236668 601285980 /nfs/dbraw/zinc/28/59/80/601285980.db2.gz ZTZLNJITCIQBBV-UHFFFAOYSA-N -1 0 351.359 -0.273 20 0 FBADRM NC(=O)c1cncc(N2CCC[C@@H](C(=O)N3CCN(C(=O)[O-])CC3)C2)n1 ZINC000831239009 603950063 /nfs/dbraw/zinc/95/00/63/603950063.db2.gz CFYBKISSQMNFHP-LLVKDONJSA-N -1 0 362.390 -0.386 20 0 FBADRM NC(=O)c1cncc(N2CCC[C@H](C(=O)N3CCN(C(=O)[O-])CC3)C2)n1 ZINC000831239011 603949965 /nfs/dbraw/zinc/94/99/65/603949965.db2.gz CFYBKISSQMNFHP-NSHDSACASA-N -1 0 362.390 -0.386 20 0 FBADRM NC(=O)c1cccnc1N1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000831239344 604789704 /nfs/dbraw/zinc/78/97/04/604789704.db2.gz GWIHMGQZTKKORC-GFCCVEGCSA-N -1 0 363.374 -0.792 20 0 FBADRM NC(=O)c1cccnc1N1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000831239347 604789804 /nfs/dbraw/zinc/78/98/04/604789804.db2.gz GWIHMGQZTKKORC-LBPRGKRZSA-N -1 0 363.374 -0.792 20 0 FBADRM NC(=O)c1cccnc1N1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000831239559 603992616 /nfs/dbraw/zinc/99/26/16/603992616.db2.gz ICEHKTCQJQQEAD-UHFFFAOYSA-N -1 0 363.374 -0.792 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831240392 604856196 /nfs/dbraw/zinc/85/61/96/604856196.db2.gz NNXHJUDWRMIFMM-BXUZGUMPSA-N -1 0 362.386 -0.141 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@H](NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831240393 604856153 /nfs/dbraw/zinc/85/61/53/604856153.db2.gz NNXHJUDWRMIFMM-FZMZJTMJSA-N -1 0 362.386 -0.141 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831240394 604856203 /nfs/dbraw/zinc/85/62/03/604856203.db2.gz NNXHJUDWRMIFMM-RISCZKNCSA-N -1 0 362.386 -0.141 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@H](NC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1 ZINC000831240395 604856205 /nfs/dbraw/zinc/85/62/05/604856205.db2.gz NNXHJUDWRMIFMM-SMDDNHRTSA-N -1 0 362.386 -0.141 20 0 FBADRM NC(=O)c1cccnc1N1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000831240646 603866567 /nfs/dbraw/zinc/86/65/67/603866567.db2.gz ORLIGJNBSXPGKH-INIZCTEOSA-N -1 0 365.365 -0.079 20 0 FBADRM NC(=O)c1cccnc1N1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000831240648 603866592 /nfs/dbraw/zinc/86/65/92/603866592.db2.gz ORLIGJNBSXPGKH-MRXNPFEDSA-N -1 0 365.365 -0.079 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@H](NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000831241054 603786638 /nfs/dbraw/zinc/78/66/38/603786638.db2.gz SAXJLCUEWGWQNK-COPLHBTASA-N -1 0 362.386 -0.406 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@H](NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000831241057 603786862 /nfs/dbraw/zinc/78/68/62/603786862.db2.gz SAXJLCUEWGWQNK-MISXGVKJSA-N -1 0 362.386 -0.406 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@H](NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])C1 ZINC000831241060 603786427 /nfs/dbraw/zinc/78/64/27/603786427.db2.gz SAXJLCUEWGWQNK-MJVIPROJSA-N -1 0 362.386 -0.406 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])C1 ZINC000831241063 603786645 /nfs/dbraw/zinc/78/66/45/603786645.db2.gz SAXJLCUEWGWQNK-WDMOLILDSA-N -1 0 362.386 -0.406 20 0 FBADRM NC(=O)c1nccnc1C(=O)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000831241083 604073607 /nfs/dbraw/zinc/07/36/07/604073607.db2.gz SEFKTSZFUCXVON-UHFFFAOYSA-N -1 0 351.363 -0.146 20 0 FBADRM N=C1NC(=O)C(CC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)S1 ZINC000831241499 602771678 /nfs/dbraw/zinc/77/16/78/602771678.db2.gz XBVWJUWHLQPNJF-BDAKNGLRSA-N -1 0 371.419 -0.835 20 0 FBADRM N=C1NC(=O)C(CC(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)S1 ZINC000831241501 602771949 /nfs/dbraw/zinc/77/19/49/602771949.db2.gz XBVWJUWHLQPNJF-DTWKUNHWSA-N -1 0 371.419 -0.835 20 0 FBADRM N=C1NC(=O)C(CC(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)S1 ZINC000831241503 602772067 /nfs/dbraw/zinc/77/20/67/602772067.db2.gz XBVWJUWHLQPNJF-IUCAKERBSA-N -1 0 371.419 -0.835 20 0 FBADRM N=C1NC(=O)C(CC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)S1 ZINC000831241505 602771868 /nfs/dbraw/zinc/77/18/68/602771868.db2.gz XBVWJUWHLQPNJF-RKDXNWHRSA-N -1 0 371.419 -0.835 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000831241537 604007317 /nfs/dbraw/zinc/00/73/17/604007317.db2.gz XIUCGUJNJBLWOZ-LLVKDONJSA-N -1 0 362.386 -0.141 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@H](NC(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000831241540 604007757 /nfs/dbraw/zinc/00/77/57/604007757.db2.gz XIUCGUJNJBLWOZ-NSHDSACASA-N -1 0 362.386 -0.141 20 0 FBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])C1 ZINC000831241736 605625811 /nfs/dbraw/zinc/62/58/11/605625811.db2.gz XYEYYAPNGSXOFV-NXEZZACHSA-N -1 0 351.450 -0.249 20 0 FBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)C[C@H]2CSCCN2C(=O)[O-])C1 ZINC000831241742 605625821 /nfs/dbraw/zinc/62/58/21/605625821.db2.gz XYEYYAPNGSXOFV-UWVGGRQHSA-N -1 0 351.450 -0.249 20 0 FBADRM NS(=O)(=O)[C@@H]1CCCN(C(=O)C[C@H]2CSCCN2C(=O)[O-])C1 ZINC000831241743 605625598 /nfs/dbraw/zinc/62/55/98/605625598.db2.gz XYEYYAPNGSXOFV-VHSXEESVSA-N -1 0 351.450 -0.249 20 0 FBADRM NS(=O)(=O)[C@H]1CCCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])C1 ZINC000831241744 605625644 /nfs/dbraw/zinc/62/56/44/605625644.db2.gz XYEYYAPNGSXOFV-ZJUUUORDSA-N -1 0 351.450 -0.249 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H](C)C(=O)N(C)C)c1 ZINC000831242423 601400137 /nfs/dbraw/zinc/40/01/37/601400137.db2.gz CFPFGUWYBNWJRR-MRVPVSSYSA-N -1 0 358.372 -0.074 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NC2CN(C(=O)OC)C2)c1 ZINC000831242648 604414112 /nfs/dbraw/zinc/41/41/12/604414112.db2.gz MYVUEZHXTVSKDE-UHFFFAOYSA-N -1 0 372.355 -0.100 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCCc2nnc[nH]2)c1 ZINC000831242753 601268627 /nfs/dbraw/zinc/26/86/27/601268627.db2.gz QWZYBBBVARGZSI-UHFFFAOYSA-N -1 0 354.344 -0.190 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCCn2ncnn2)c1 ZINC000831242770 602203829 /nfs/dbraw/zinc/20/38/29/602203829.db2.gz RMPVUOKJULDLDK-UHFFFAOYSA-N -1 0 355.332 -0.864 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCC(=O)NC2CC2)c1 ZINC000831242890 601187676 /nfs/dbraw/zinc/18/76/76/601187676.db2.gz SXFZTMBWYAPXHJ-UHFFFAOYSA-N -1 0 356.356 -0.272 20 0 FBADRM NS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000831244638 604176637 /nfs/dbraw/zinc/17/66/37/604176637.db2.gz BLLLEMVHFXOCCE-UHFFFAOYSA-N -1 0 356.360 -0.930 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)c2ccc(NC(=O)[O-])cc2)CC1 ZINC000831244642 603933845 /nfs/dbraw/zinc/93/38/45/603933845.db2.gz BNRHWPIYJXSPHO-UHFFFAOYSA-N -1 0 356.404 -0.177 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)[O-])CC1 ZINC000831244690 603951615 /nfs/dbraw/zinc/95/16/15/603951615.db2.gz BXHCSPQERWOEQV-NEPJUHHUSA-N -1 0 362.452 -0.059 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)[C@H]2CCCCCC[C@H]2NC(=O)[O-])CC1 ZINC000831244692 603951419 /nfs/dbraw/zinc/95/14/19/603951419.db2.gz BXHCSPQERWOEQV-NWDGAFQWSA-N -1 0 362.452 -0.059 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)[C@H]2CCCCCC[C@@H]2NC(=O)[O-])CC1 ZINC000831244694 603951433 /nfs/dbraw/zinc/95/14/33/603951433.db2.gz BXHCSPQERWOEQV-RYUDHWBXSA-N -1 0 362.452 -0.059 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCCCC[C@H]2NC(=O)[O-])CC1 ZINC000831244695 603951367 /nfs/dbraw/zinc/95/13/67/603951367.db2.gz BXHCSPQERWOEQV-VXGBXAGGSA-N -1 0 362.452 -0.059 20 0 FBADRM NS(=O)(=O)Cc1cccc(CNC(=O)COC2CN(C(=O)[O-])C2)c1 ZINC000831244701 603995763 /nfs/dbraw/zinc/99/57/63/603995763.db2.gz BXVYIDDTTLTSRP-UHFFFAOYSA-N -1 0 357.388 -0.530 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)[C@H]2c3ccccc3CCN2C(=O)[O-])CC1 ZINC000831244831 605689154 /nfs/dbraw/zinc/68/91/54/605689154.db2.gz CMTKRXDXAGYEKS-CYBMUJFWSA-N -1 0 368.415 -0.389 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)[C@@H]2c3ccccc3CCN2C(=O)[O-])CC1 ZINC000831244832 605689395 /nfs/dbraw/zinc/68/93/95/605689395.db2.gz CMTKRXDXAGYEKS-ZDUSSCGKSA-N -1 0 368.415 -0.389 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)[C@H](CNC(=O)[O-])c2ccccc2)CC1 ZINC000831244969 602814767 /nfs/dbraw/zinc/81/47/67/602814767.db2.gz FIOYNKMMOGXHCG-GFCCVEGCSA-N -1 0 356.404 -0.615 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)[C@@H](CNC(=O)[O-])c2ccccc2)CC1 ZINC000831244975 602814517 /nfs/dbraw/zinc/81/45/17/602814517.db2.gz FIOYNKMMOGXHCG-LBPRGKRZSA-N -1 0 356.404 -0.615 20 0 FBADRM NS(=O)(=O)CCNC(=O)C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000831245049 604176740 /nfs/dbraw/zinc/17/67/40/604176740.db2.gz GCVPDAOJGDKVPT-UHFFFAOYSA-N -1 0 370.387 -0.934 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)CN(C(=O)[O-])c2ccccc2)CC1 ZINC000831245242 605371802 /nfs/dbraw/zinc/37/18/02/605371802.db2.gz HEXPOMIJCHUVTA-UHFFFAOYSA-N -1 0 370.431 -0.396 20 0 FBADRM NS(=O)(=O)Cc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000831245298 603737677 /nfs/dbraw/zinc/73/76/77/603737677.db2.gz HQYJOZIZOXVLSK-NEPJUHHUSA-N -1 0 357.388 -0.796 20 0 FBADRM NS(=O)(=O)Cc1cccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000831245308 603737821 /nfs/dbraw/zinc/73/78/21/603737821.db2.gz HQYJOZIZOXVLSK-NWDGAFQWSA-N -1 0 357.388 -0.796 20 0 FBADRM NS(=O)(=O)Cc1cccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1 ZINC000831245309 603737626 /nfs/dbraw/zinc/73/76/26/603737626.db2.gz HQYJOZIZOXVLSK-RYUDHWBXSA-N -1 0 357.388 -0.796 20 0 FBADRM NS(=O)(=O)Cc1cccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1 ZINC000831245310 603737895 /nfs/dbraw/zinc/73/78/95/603737895.db2.gz HQYJOZIZOXVLSK-VXGBXAGGSA-N -1 0 357.388 -0.796 20 0 FBADRM NS(=O)(=O)CCCOC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000831245312 603799722 /nfs/dbraw/zinc/79/97/22/603799722.db2.gz HUACCSTVNRYLIG-UHFFFAOYSA-N -1 0 361.380 -0.572 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])CC1 ZINC000831245345 604033756 /nfs/dbraw/zinc/03/37/56/604033756.db2.gz IHZJMSZGQLDBJS-NEPJUHHUSA-N -1 0 360.436 -0.355 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)c2cccc(NC(=O)[O-])c2)CC1 ZINC000831245420 603550491 /nfs/dbraw/zinc/55/04/91/603550491.db2.gz JJEXMDUESQWOPA-UHFFFAOYSA-N -1 0 356.404 -0.177 20 0 FBADRM NS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000831245570 604176660 /nfs/dbraw/zinc/17/66/60/604176660.db2.gz KEPMQABBSMAJNM-UHFFFAOYSA-N -1 0 370.387 -0.540 20 0 FBADRM NS(=O)(=O)N1CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])CC1 ZINC000831245613 604058457 /nfs/dbraw/zinc/05/84/57/604058457.db2.gz KSGYZOGDCNJIJV-KBPBESRZSA-N -1 0 372.447 -0.953 20 0 FBADRM NS(=O)(=O)CC1CCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])CC1 ZINC000831245616 605306359 /nfs/dbraw/zinc/30/63/59/605306359.db2.gz KVBJFLXVUBJVSN-LLVKDONJSA-N -1 0 365.477 -0.001 20 0 FBADRM NS(=O)(=O)CC1CCN(C(=O)C[C@H]2CSCCN2C(=O)[O-])CC1 ZINC000831245618 605306612 /nfs/dbraw/zinc/30/66/12/605306612.db2.gz KVBJFLXVUBJVSN-NSHDSACASA-N -1 0 365.477 -0.001 20 0 FBADRM NS(=O)(=O)N1CCc2ccc(NC(=O)COC3CN(C(=O)[O-])C3)cc21 ZINC000831245620 603982103 /nfs/dbraw/zinc/98/21/03/603982103.db2.gz KVUPPRVIZXVJLS-UHFFFAOYSA-N -1 0 370.387 -0.430 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)c2ccc(CNC(=O)[O-])o2)CC1 ZINC000831245677 603933939 /nfs/dbraw/zinc/93/39/39/603933939.db2.gz LOXWGXKPAURFEE-UHFFFAOYSA-N -1 0 360.392 -0.907 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)C2(NC(=O)[O-])Cc3ccccc3C2)CC1 ZINC000831245693 603736270 /nfs/dbraw/zinc/73/62/70/603736270.db2.gz LVHHKNUKCIXVNL-UHFFFAOYSA-N -1 0 368.415 -0.861 20 0 FBADRM NS(=O)(=O)N1CCc2ccc(NC(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])cc21 ZINC000831245720 603671900 /nfs/dbraw/zinc/67/19/00/603671900.db2.gz LZZCTRJYMBZBAO-CMPLNLGQSA-N -1 0 370.387 -0.696 20 0 FBADRM NS(=O)(=O)N1CCc2ccc(NC(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])cc21 ZINC000831245727 603671349 /nfs/dbraw/zinc/67/13/49/603671349.db2.gz LZZCTRJYMBZBAO-JQWIXIFHSA-N -1 0 370.387 -0.696 20 0 FBADRM NS(=O)(=O)N1CCc2ccc(NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])cc21 ZINC000831245728 603671956 /nfs/dbraw/zinc/67/19/56/603671956.db2.gz LZZCTRJYMBZBAO-PWSUYJOCSA-N -1 0 370.387 -0.696 20 0 FBADRM NS(=O)(=O)N1CCc2ccc(NC(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])cc21 ZINC000831245730 603671819 /nfs/dbraw/zinc/67/18/19/603671819.db2.gz LZZCTRJYMBZBAO-ZYHUDNBSSA-N -1 0 370.387 -0.696 20 0 FBADRM NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(CNC(=O)[O-])o2)C1 ZINC000831245801 603342025 /nfs/dbraw/zinc/34/20/25/603342025.db2.gz MBYUEXYUOCCPEB-SECBINFHSA-N -1 0 360.392 -0.308 20 0 FBADRM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc(CNC(=O)[O-])o2)C1 ZINC000831245816 603341713 /nfs/dbraw/zinc/34/17/13/603341713.db2.gz MBYUEXYUOCCPEB-VIFPVBQESA-N -1 0 360.392 -0.308 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])CC1 ZINC000831245863 603635231 /nfs/dbraw/zinc/63/52/31/603635231.db2.gz MVPVKDAPERNPPN-CYBMUJFWSA-N -1 0 370.431 -0.397 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])CC1 ZINC000831245865 603635097 /nfs/dbraw/zinc/63/50/97/603635097.db2.gz MVPVKDAPERNPPN-ZDUSSCGKSA-N -1 0 370.431 -0.397 20 0 FBADRM NS(=O)(=O)Cc1cccc(CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831245867 604816505 /nfs/dbraw/zinc/81/65/05/604816505.db2.gz MVRZIRZKZBUHPA-GFCCVEGCSA-N -1 0 357.388 -0.530 20 0 FBADRM NS(=O)(=O)Cc1cccc(CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831245869 604816446 /nfs/dbraw/zinc/81/64/46/604816446.db2.gz MVRZIRZKZBUHPA-LBPRGKRZSA-N -1 0 357.388 -0.530 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)N(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000831245870 605802065 /nfs/dbraw/zinc/80/20/65/605802065.db2.gz MWAAQAHDYVSXPS-GFCCVEGCSA-N -1 0 360.436 -0.355 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)N(C2CC2)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000831245872 605801956 /nfs/dbraw/zinc/80/19/56/605801956.db2.gz MWAAQAHDYVSXPS-LBPRGKRZSA-N -1 0 360.436 -0.355 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])C1 ZINC000831245874 605309691 /nfs/dbraw/zinc/30/96/91/605309691.db2.gz MZMWGVRTTQVADP-GHMZBOCLSA-N -1 0 365.477 -0.001 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)C[C@H]2CSCCN2C(=O)[O-])C1 ZINC000831245875 605309634 /nfs/dbraw/zinc/30/96/34/605309634.db2.gz MZMWGVRTTQVADP-MNOVXSKESA-N -1 0 365.477 -0.001 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)C[C@H]2CSCCN2C(=O)[O-])C1 ZINC000831245877 605309215 /nfs/dbraw/zinc/30/92/15/605309215.db2.gz MZMWGVRTTQVADP-QWRGUYRKSA-N -1 0 365.477 -0.001 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])C1 ZINC000831245879 605309168 /nfs/dbraw/zinc/30/91/68/605309168.db2.gz MZMWGVRTTQVADP-WDEREUQCSA-N -1 0 365.477 -0.001 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000831245881 603934252 /nfs/dbraw/zinc/93/42/52/603934252.db2.gz NANWREXMQLEMSR-UHFFFAOYSA-N -1 0 374.394 -0.038 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCCN1C(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000831246003 605881290 /nfs/dbraw/zinc/88/12/90/605881290.db2.gz NMUMBLMJYQRXSI-NEPJUHHUSA-N -1 0 363.436 -0.185 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000831246005 605881478 /nfs/dbraw/zinc/88/14/78/605881478.db2.gz NMUMBLMJYQRXSI-NWDGAFQWSA-N -1 0 363.436 -0.185 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000831246007 605881764 /nfs/dbraw/zinc/88/17/64/605881764.db2.gz NMUMBLMJYQRXSI-RYUDHWBXSA-N -1 0 363.436 -0.185 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCCN1C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000831246009 605881556 /nfs/dbraw/zinc/88/15/56/605881556.db2.gz NMUMBLMJYQRXSI-VXGBXAGGSA-N -1 0 363.436 -0.185 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCCN1C(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000831246115 605881703 /nfs/dbraw/zinc/88/17/03/605881703.db2.gz OPWVQUPHIMJSSE-GFCCVEGCSA-N -1 0 362.452 -0.612 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000831246119 605881572 /nfs/dbraw/zinc/88/15/72/605881572.db2.gz OPWVQUPHIMJSSE-LBPRGKRZSA-N -1 0 362.452 -0.612 20 0 FBADRM NS(=O)(=O)CCCNC(=O)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000831246299 604035542 /nfs/dbraw/zinc/03/55/42/604035542.db2.gz PLOJFZLMPQEEPE-UHFFFAOYSA-N -1 0 370.387 -0.540 20 0 FBADRM NS(=O)(=O)CC1CCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000831246348 605294671 /nfs/dbraw/zinc/29/46/71/605294671.db2.gz PSMYSHPABCDNSM-GFCCVEGCSA-N -1 0 363.436 -0.328 20 0 FBADRM NS(=O)(=O)CC1CCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000831246349 605295720 /nfs/dbraw/zinc/29/57/20/605295720.db2.gz PSMYSHPABCDNSM-LBPRGKRZSA-N -1 0 363.436 -0.328 20 0 FBADRM NS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000831246350 604176731 /nfs/dbraw/zinc/17/67/31/604176731.db2.gz PTGJYESQFWXIQB-UHFFFAOYSA-N -1 0 370.387 -0.934 20 0 FBADRM NS(=O)(=O)Cc1cccc(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)c1 ZINC000831246353 603799199 /nfs/dbraw/zinc/79/91/99/603799199.db2.gz PXORUTGDLHRXSW-GFCCVEGCSA-N -1 0 356.356 -0.047 20 0 FBADRM NS(=O)(=O)Cc1cccc(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)c1 ZINC000831246354 603799692 /nfs/dbraw/zinc/79/96/92/603799692.db2.gz PXORUTGDLHRXSW-LBPRGKRZSA-N -1 0 356.356 -0.047 20 0 FBADRM NS(=O)(=O)CCCNC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000831246601 603724474 /nfs/dbraw/zinc/72/44/74/603724474.db2.gz RCFIQNIJBCMNSJ-UHFFFAOYSA-N -1 0 358.376 -0.813 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)CC2CCN(C(=O)[O-])CC2)CC1 ZINC000831246607 603550546 /nfs/dbraw/zinc/55/05/46/603550546.db2.gz RIAFMKQVAZIFCB-UHFFFAOYSA-N -1 0 362.452 -0.801 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)c2ccc(CNC(=O)[O-])cc2)CC1 ZINC000831246626 603737959 /nfs/dbraw/zinc/73/79/59/603737959.db2.gz RREJYQBYSNEIGO-UHFFFAOYSA-N -1 0 370.431 -0.500 20 0 FBADRM NS(=O)(=O)Nc1cccc(NC(=O)CN2CCC(NC(=O)[O-])CC2)c1 ZINC000831246632 605611788 /nfs/dbraw/zinc/61/17/88/605611788.db2.gz RXKRFEXDISRTKN-UHFFFAOYSA-N -1 0 371.419 -0.028 20 0 FBADRM NS(=O)(=O)Cc1cccc(CNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831246636 604816382 /nfs/dbraw/zinc/81/63/82/604816382.db2.gz SEBMBNGPTRWAKN-CYBMUJFWSA-N -1 0 371.415 -0.140 20 0 FBADRM NS(=O)(=O)Cc1cccc(CNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831246637 604816407 /nfs/dbraw/zinc/81/64/07/604816407.db2.gz SEBMBNGPTRWAKN-ZDUSSCGKSA-N -1 0 371.415 -0.140 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)c2ccc(NC(=O)[O-])cc2O)CC1 ZINC000831246643 603934093 /nfs/dbraw/zinc/93/40/93/603934093.db2.gz SMZOWBFTXSBXNE-UHFFFAOYSA-N -1 0 372.403 -0.472 20 0 FBADRM NS(=O)(=O)Cc1ccc(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)cc1 ZINC000831246659 603795124 /nfs/dbraw/zinc/79/51/24/603795124.db2.gz SUFPUFZUIUYHKP-GFCCVEGCSA-N -1 0 356.356 -0.047 20 0 FBADRM NS(=O)(=O)Cc1ccc(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)cc1 ZINC000831246660 603795017 /nfs/dbraw/zinc/79/50/17/603795017.db2.gz SUFPUFZUIUYHKP-LBPRGKRZSA-N -1 0 356.356 -0.047 20 0 FBADRM NS(=O)(=O)NC[C@H]1CCCN(C(=O)C2(CNC(=O)[O-])CCCC2)C1 ZINC000831246721 603635104 /nfs/dbraw/zinc/63/51/04/603635104.db2.gz TZZZJAHNCQTHHH-LLVKDONJSA-N -1 0 362.452 -0.154 20 0 FBADRM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)C2(CNC(=O)[O-])CCCC2)C1 ZINC000831246723 603634809 /nfs/dbraw/zinc/63/48/09/603634809.db2.gz TZZZJAHNCQTHHH-NSHDSACASA-N -1 0 362.452 -0.154 20 0 FBADRM NS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000831246726 603979578 /nfs/dbraw/zinc/97/95/78/603979578.db2.gz UAZQEFNTMQQYPE-BXKDBHETSA-N -1 0 352.388 -0.890 20 0 FBADRM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000831246734 603979379 /nfs/dbraw/zinc/97/93/79/603979379.db2.gz UAZQEFNTMQQYPE-CABZTGNLSA-N -1 0 352.388 -0.890 20 0 FBADRM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000831246735 603979924 /nfs/dbraw/zinc/97/99/24/603979924.db2.gz UAZQEFNTMQQYPE-JOYOIKCWSA-N -1 0 352.388 -0.890 20 0 FBADRM NS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)C1 ZINC000831246738 603979603 /nfs/dbraw/zinc/97/96/03/603979603.db2.gz UAZQEFNTMQQYPE-SKDRFNHKSA-N -1 0 352.388 -0.890 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)C2(CNC(=O)[O-])CCCC2)CC1 ZINC000831246922 603803209 /nfs/dbraw/zinc/80/32/09/603803209.db2.gz VIVGWEJJJPHTDQ-UHFFFAOYSA-N -1 0 362.452 -0.753 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000831246935 605301658 /nfs/dbraw/zinc/30/16/58/605301658.db2.gz VQDDZOXTPHDMTF-NEPJUHHUSA-N -1 0 363.436 -0.328 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000831246936 605301766 /nfs/dbraw/zinc/30/17/66/605301766.db2.gz VQDDZOXTPHDMTF-NWDGAFQWSA-N -1 0 363.436 -0.328 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000831246937 605301420 /nfs/dbraw/zinc/30/14/20/605301420.db2.gz VQDDZOXTPHDMTF-RYUDHWBXSA-N -1 0 363.436 -0.328 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000831246938 605301500 /nfs/dbraw/zinc/30/15/00/605301500.db2.gz VQDDZOXTPHDMTF-VXGBXAGGSA-N -1 0 363.436 -0.328 20 0 FBADRM NS(=O)(=O)N1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])CC1 ZINC000831246945 603903232 /nfs/dbraw/zinc/90/32/32/603903232.db2.gz VTEOEYTTWGBRAD-YOGCLGLASA-N -1 0 360.436 -0.355 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)C2CCC(NC(=O)[O-])CC2)CC1 ZINC000831246946 603934167 /nfs/dbraw/zinc/93/41/67/603934167.db2.gz VTISJFLZGZPEGI-UHFFFAOYSA-N -1 0 362.452 -0.755 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCCN1C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000831247001 605881511 /nfs/dbraw/zinc/88/15/11/605881511.db2.gz WCSNWMTXAQGALW-NEPJUHHUSA-N -1 0 363.436 -0.185 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000831247003 605881462 /nfs/dbraw/zinc/88/14/62/605881462.db2.gz WCSNWMTXAQGALW-NWDGAFQWSA-N -1 0 363.436 -0.185 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000831247005 605881473 /nfs/dbraw/zinc/88/14/73/605881473.db2.gz WCSNWMTXAQGALW-RYUDHWBXSA-N -1 0 363.436 -0.185 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCCN1C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000831247007 605881697 /nfs/dbraw/zinc/88/16/97/605881697.db2.gz WCSNWMTXAQGALW-VXGBXAGGSA-N -1 0 363.436 -0.185 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)CC1 ZINC000831247039 603934047 /nfs/dbraw/zinc/93/40/47/603934047.db2.gz WGBGYIRTKXGBGB-NEPJUHHUSA-N -1 0 362.452 -0.755 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)CC1 ZINC000831247043 603934040 /nfs/dbraw/zinc/93/40/40/603934040.db2.gz WGBGYIRTKXGBGB-NWDGAFQWSA-N -1 0 362.452 -0.755 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)CC1 ZINC000831247046 603934183 /nfs/dbraw/zinc/93/41/83/603934183.db2.gz WGBGYIRTKXGBGB-RYUDHWBXSA-N -1 0 362.452 -0.755 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)CC1 ZINC000831247049 603934235 /nfs/dbraw/zinc/93/42/35/603934235.db2.gz WGBGYIRTKXGBGB-VXGBXAGGSA-N -1 0 362.452 -0.755 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000831247609 661145517 /nfs/dbraw/zinc/14/55/17/661145517.db2.gz ZJAVGNDKAYMVDX-NXEZZACHSA-N -1 0 351.450 -0.249 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000831247610 661145521 /nfs/dbraw/zinc/14/55/21/661145521.db2.gz ZJAVGNDKAYMVDX-UWVGGRQHSA-N -1 0 351.450 -0.249 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN1C(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000831247611 661145473 /nfs/dbraw/zinc/14/54/73/661145473.db2.gz ZJAVGNDKAYMVDX-VHSXEESVSA-N -1 0 351.450 -0.249 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN1C(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000831247612 661145426 /nfs/dbraw/zinc/14/54/26/661145426.db2.gz ZJAVGNDKAYMVDX-ZJUUUORDSA-N -1 0 351.450 -0.249 20 0 FBADRM NS(=O)(=O)N1CCc2ccc(NC(=O)[C@H]3CN(C(=O)[O-])CCO3)cc21 ZINC000831247617 604727823 /nfs/dbraw/zinc/72/78/23/604727823.db2.gz ZKFVNVOPCJVQRM-GFCCVEGCSA-N -1 0 370.387 -0.430 20 0 FBADRM NS(=O)(=O)N1CCc2ccc(NC(=O)[C@@H]3CN(C(=O)[O-])CCO3)cc21 ZINC000831247618 604728095 /nfs/dbraw/zinc/72/80/95/604728095.db2.gz ZKFVNVOPCJVQRM-LBPRGKRZSA-N -1 0 370.387 -0.430 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)COC2CN(C(=O)[O-])C2)cc1 ZINC000831250479 603742742 /nfs/dbraw/zinc/74/27/42/603742742.db2.gz DRKNTBBJLKYGQV-UHFFFAOYSA-N -1 0 357.388 -0.629 20 0 FBADRM COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](CO)C2)ccc1C(=O)[O-] ZINC000831250783 601351798 /nfs/dbraw/zinc/35/17/98/601351798.db2.gz FAYZFNGURKUWIK-SECBINFHSA-N -1 0 350.327 -0.049 20 0 FBADRM COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H](CO)C2)ccc1C(=O)[O-] ZINC000831250788 601351809 /nfs/dbraw/zinc/35/18/09/601351809.db2.gz FAYZFNGURKUWIK-VIFPVBQESA-N -1 0 350.327 -0.049 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000831250813 604640763 /nfs/dbraw/zinc/64/07/63/604640763.db2.gz GJQHGTMWKDTNMC-GFCCVEGCSA-N -1 0 371.415 -0.238 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000831250814 604641005 /nfs/dbraw/zinc/64/10/05/604641005.db2.gz GJQHGTMWKDTNMC-LBPRGKRZSA-N -1 0 371.415 -0.238 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2CNC(=O)[O-])cc1 ZINC000831250836 603996951 /nfs/dbraw/zinc/99/69/51/603996951.db2.gz GWINREQJVBKPJV-JTQLQIEISA-N -1 0 370.387 -0.469 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2CNC(=O)[O-])cc1 ZINC000831250837 603997008 /nfs/dbraw/zinc/99/70/08/603997008.db2.gz GWINREQJVBKPJV-SNVBAGLBSA-N -1 0 370.387 -0.469 20 0 FBADRM NS(=O)(=O)c1ccc(OCC(=O)N2CCC[C@H]2CNC(=O)[O-])cc1 ZINC000831250875 603996720 /nfs/dbraw/zinc/99/67/20/603996720.db2.gz HWXVJGXAXMFCEY-JTQLQIEISA-N -1 0 357.388 -0.029 20 0 FBADRM NS(=O)(=O)c1ccc(OCC(=O)N2CCC[C@@H]2CNC(=O)[O-])cc1 ZINC000831250876 603996808 /nfs/dbraw/zinc/99/68/08/603996808.db2.gz HWXVJGXAXMFCEY-SNVBAGLBSA-N -1 0 357.388 -0.029 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)COC(=O)COC2CN(C(=O)[O-])C2)cc1 ZINC000831250885 603443788 /nfs/dbraw/zinc/44/37/88/603443788.db2.gz IGQRYWOKXWAWKP-UHFFFAOYSA-N -1 0 372.355 -0.561 20 0 FBADRM NS(=O)(=O)c1ccc(CNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)s1 ZINC000831250890 604653001 /nfs/dbraw/zinc/65/30/01/604653001.db2.gz IHSOOSQUEXGEHY-MRVPVSSYSA-N -1 0 363.417 -0.219 20 0 FBADRM NS(=O)(=O)c1ccc(CNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)s1 ZINC000831250939 604653494 /nfs/dbraw/zinc/65/34/94/604653494.db2.gz IHSOOSQUEXGEHY-QMMMGPOBSA-N -1 0 363.417 -0.219 20 0 FBADRM NS(=O)(=O)c1ccc(F)c(CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831251173 604859755 /nfs/dbraw/zinc/85/97/55/604859755.db2.gz KJJPFWABWCHPJI-LLVKDONJSA-N -1 0 361.351 -0.532 20 0 FBADRM NS(=O)(=O)c1ccc(F)c(CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831251184 604860020 /nfs/dbraw/zinc/86/00/20/604860020.db2.gz KJJPFWABWCHPJI-NSHDSACASA-N -1 0 361.351 -0.532 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)ccc1F ZINC000831251190 603762311 /nfs/dbraw/zinc/76/23/11/603762311.db2.gz KOFQVTGGGVTJNS-JTQLQIEISA-N -1 0 360.319 -0.049 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)ccc1F ZINC000831251195 603762992 /nfs/dbraw/zinc/76/29/92/603762992.db2.gz KOFQVTGGGVTJNS-SNVBAGLBSA-N -1 0 360.319 -0.049 20 0 FBADRM COC(=O)c1cc(NC(=O)C(=O)N2CCN(C)C(=O)C2)ccc1C(=O)[O-] ZINC000831251196 601363166 /nfs/dbraw/zinc/36/31/66/601363166.db2.gz IHBVGFOJMXFYHB-UHFFFAOYSA-N -1 0 363.326 -0.590 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)COC(=O)[C@H]2COCCN2C(=O)[O-])cc1 ZINC000831251284 603904772 /nfs/dbraw/zinc/90/47/72/603904772.db2.gz LYYFUDMMRKCUNY-LLVKDONJSA-N -1 0 372.355 -0.561 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)COC(=O)[C@@H]2COCCN2C(=O)[O-])cc1 ZINC000831251285 603904893 /nfs/dbraw/zinc/90/48/93/603904893.db2.gz LYYFUDMMRKCUNY-NSHDSACASA-N -1 0 372.355 -0.561 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)COC(=O)CC2CN(C(=O)[O-])C2)cc1 ZINC000831251288 604098461 /nfs/dbraw/zinc/09/84/61/604098461.db2.gz MCRXNAFCTAJODY-UHFFFAOYSA-N -1 0 371.371 -0.184 20 0 FBADRM NS(=O)(=O)c1ccc(OCCOC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000831251289 605199741 /nfs/dbraw/zinc/19/97/41/605199741.db2.gz MCUJDSANNAUGLH-GFCCVEGCSA-N -1 0 374.371 -0.365 20 0 FBADRM NS(=O)(=O)c1ccc(OCCOC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000831251290 605199611 /nfs/dbraw/zinc/19/96/11/605199611.db2.gz MCUJDSANNAUGLH-LBPRGKRZSA-N -1 0 374.371 -0.365 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)[O-])cc1 ZINC000831251370 603147010 /nfs/dbraw/zinc/14/70/10/603147010.db2.gz MFSAVAYEEOVJSD-SECBINFHSA-N -1 0 363.417 -0.245 20 0 FBADRM NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)[O-])cc1 ZINC000831251378 603146995 /nfs/dbraw/zinc/14/69/95/603146995.db2.gz MFSAVAYEEOVJSD-VIFPVBQESA-N -1 0 363.417 -0.245 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)s1 ZINC000831251588 603740039 /nfs/dbraw/zinc/74/00/39/603740039.db2.gz NRHZJDCOHLDIHK-SECBINFHSA-N -1 0 362.385 -0.197 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)s1 ZINC000831251600 603739754 /nfs/dbraw/zinc/73/97/54/603739754.db2.gz NRHZJDCOHLDIHK-VIFPVBQESA-N -1 0 362.385 -0.197 20 0 FBADRM NS(=O)(=O)c1ccc(OCCOC(=O)[C@H]2COCCN2C(=O)[O-])cc1 ZINC000831251646 603901062 /nfs/dbraw/zinc/90/10/62/603901062.db2.gz OQAGXXJFUBHFOB-GFCCVEGCSA-N -1 0 374.371 -0.365 20 0 FBADRM NS(=O)(=O)c1ccc(OCCOC(=O)[C@@H]2COCCN2C(=O)[O-])cc1 ZINC000831251648 603901018 /nfs/dbraw/zinc/90/10/18/603901018.db2.gz OQAGXXJFUBHFOB-LBPRGKRZSA-N -1 0 374.371 -0.365 20 0 FBADRM NS(=O)(=O)c1ccc(F)c(CNC(=O)COC2CN(C(=O)[O-])C2)c1 ZINC000831251742 604011582 /nfs/dbraw/zinc/01/15/82/604011582.db2.gz PVSCJBLAVZVYOX-UHFFFAOYSA-N -1 0 361.351 -0.532 20 0 FBADRM NS(=O)(=O)c1ccc(N2CCN(C(=O)C3(NC(=O)[O-])CC3)CC2)cc1 ZINC000831252103 604428463 /nfs/dbraw/zinc/42/84/63/604428463.db2.gz QVSCKHYQVXKEMX-UHFFFAOYSA-N -1 0 368.415 -0.217 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)COC(=O)C2(NC(=O)[O-])CC2)cc1 ZINC000831252139 604751835 /nfs/dbraw/zinc/75/18/35/604751835.db2.gz RMZSQDUQLXUBFO-UHFFFAOYSA-N -1 0 357.344 -0.384 20 0 FBADRM NS(=O)(=O)c1ccc(OCC(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)cc1 ZINC000831252151 603799526 /nfs/dbraw/zinc/79/95/26/603799526.db2.gz SAPKLHUZHGPUSW-GFCCVEGCSA-N -1 0 372.355 -0.423 20 0 FBADRM NS(=O)(=O)c1ccc(OCC(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)cc1 ZINC000831252155 603799378 /nfs/dbraw/zinc/79/93/78/603799378.db2.gz SAPKLHUZHGPUSW-LBPRGKRZSA-N -1 0 372.355 -0.423 20 0 FBADRM NS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)CNC(=O)[O-])c1 ZINC000831252162 604650485 /nfs/dbraw/zinc/65/04/85/604650485.db2.gz SBTRINGGJQAULE-UHFFFAOYSA-N -1 0 365.751 -0.263 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)cc1 ZINC000831252215 603805534 /nfs/dbraw/zinc/80/55/34/603805534.db2.gz SYYFIUUJAYSLLU-GFCCVEGCSA-N -1 0 356.356 -0.259 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)cc1 ZINC000831252216 603805757 /nfs/dbraw/zinc/80/57/57/603805757.db2.gz SYYFIUUJAYSLLU-LBPRGKRZSA-N -1 0 356.356 -0.259 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000831252218 604640725 /nfs/dbraw/zinc/64/07/25/604640725.db2.gz SZASCDGPSCLGFO-GFCCVEGCSA-N -1 0 357.388 -0.629 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000831252220 604641118 /nfs/dbraw/zinc/64/11/18/604641118.db2.gz SZASCDGPSCLGFO-LBPRGKRZSA-N -1 0 357.388 -0.629 20 0 FBADRM NS(=O)(=O)c1ccc(CNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000831252243 604643408 /nfs/dbraw/zinc/64/34/08/604643408.db2.gz TZKHOFOLGXDEIK-LLVKDONJSA-N -1 0 357.388 -0.281 20 0 FBADRM NS(=O)(=O)c1ccc(CNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000831252244 604643160 /nfs/dbraw/zinc/64/31/60/604643160.db2.gz TZKHOFOLGXDEIK-NSHDSACASA-N -1 0 357.388 -0.281 20 0 FBADRM NS(=O)(=O)c1ccc(F)c(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)c1 ZINC000831252566 603627108 /nfs/dbraw/zinc/62/71/08/603627108.db2.gz VRVCVCTYUDMHTG-LLVKDONJSA-N -1 0 360.319 -0.049 20 0 FBADRM NS(=O)(=O)c1ccc(F)c(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)c1 ZINC000831252569 603628346 /nfs/dbraw/zinc/62/83/46/603628346.db2.gz VRVCVCTYUDMHTG-NSHDSACASA-N -1 0 360.319 -0.049 20 0 FBADRM COC(=O)c1cc(NC(=O)C(=O)N2CCCNC(=O)C2)ccc1C(=O)[O-] ZINC000831252919 600886063 /nfs/dbraw/zinc/88/60/63/600886063.db2.gz WYYUWDFGSRHFKS-UHFFFAOYSA-N -1 0 363.326 -0.542 20 0 FBADRM COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)ccc1C(=O)[O-] ZINC000831253031 600888493 /nfs/dbraw/zinc/88/84/93/600888493.db2.gz ZLICXHOVSDFIJS-MRVPVSSYSA-N -1 0 363.326 -0.556 20 0 FBADRM COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)ccc1C(=O)[O-] ZINC000831253033 600888522 /nfs/dbraw/zinc/88/85/22/600888522.db2.gz ZLICXHOVSDFIJS-QMMMGPOBSA-N -1 0 363.326 -0.556 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)COC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000831253195 605217949 /nfs/dbraw/zinc/21/79/49/605217949.db2.gz ZNAZOZWBLSDJTD-GFCCVEGCSA-N -1 0 372.355 -0.561 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000831253198 605218009 /nfs/dbraw/zinc/21/80/09/605218009.db2.gz ZNAZOZWBLSDJTD-LBPRGKRZSA-N -1 0 372.355 -0.561 20 0 FBADRM COC(=O)c1cc(NC(=O)[C@@H](C)N2C[C@H](O)C[C@H](O)C2)cc(C(=O)[O-])c1 ZINC000831257039 601450459 /nfs/dbraw/zinc/45/04/59/601450459.db2.gz FWKUKGAEQZQGKZ-FZQKWOKYSA-N -1 0 366.370 -0.074 20 0 FBADRM COC(=O)c1cc(NC(=O)[C@H](C)N2C[C@H](O)C[C@H](O)C2)cc(C(=O)[O-])c1 ZINC000831257040 601450277 /nfs/dbraw/zinc/45/02/77/601450277.db2.gz FWKUKGAEQZQGKZ-QCZZGDTMSA-N -1 0 366.370 -0.074 20 0 FBADRM COC(=O)c1cc(NC(=O)C(=O)N[C@H](C)C(=O)N(C)C)ccc1C(=O)[O-] ZINC000831258261 601497071 /nfs/dbraw/zinc/49/70/71/601497071.db2.gz SBTOBMYFYFEPSW-MRVPVSSYSA-N -1 0 365.342 -0.297 20 0 FBADRM NS(=O)(=O)c1cccc(CNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831258862 604701309 /nfs/dbraw/zinc/70/13/09/604701309.db2.gz BGXJLMVUAODGCA-LLVKDONJSA-N -1 0 357.388 -0.281 20 0 FBADRM NS(=O)(=O)c1cccc(CNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)c1 ZINC000831258866 604701316 /nfs/dbraw/zinc/70/13/16/604701316.db2.gz BGXJLMVUAODGCA-NSHDSACASA-N -1 0 357.388 -0.281 20 0 FBADRM COC(=O)c1cc(NC(=O)[C@H](C)N2C[C@@H](O)[C@@H](O)C2)cc(C(=O)[O-])c1 ZINC000831258888 601155340 /nfs/dbraw/zinc/15/53/40/601155340.db2.gz WYEZBAHKYQZRDZ-AQUOVQTQSA-N -1 0 352.343 -0.464 20 0 FBADRM COC(=O)c1cc(NC(=O)[C@@H](C)N2C[C@@H](O)[C@@H](O)C2)cc(C(=O)[O-])c1 ZINC000831258895 601155524 /nfs/dbraw/zinc/15/55/24/601155524.db2.gz WYEZBAHKYQZRDZ-WQHBLYJGSA-N -1 0 352.343 -0.464 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)NC2CCN(C(=O)[O-])CC2)c1 ZINC000831258956 604172205 /nfs/dbraw/zinc/17/22/05/604172205.db2.gz CBWICKMAUHEKPM-UHFFFAOYSA-N -1 0 370.387 -0.469 20 0 FBADRM NS(=O)(=O)c1ccccc1NC(=O)COC(=O)CC1CN(C(=O)[O-])C1 ZINC000831259088 604098649 /nfs/dbraw/zinc/09/86/49/604098649.db2.gz DCZPTBTZZSZRKY-UHFFFAOYSA-N -1 0 371.371 -0.184 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]2CNC(=O)[O-])c1 ZINC000831259405 604193302 /nfs/dbraw/zinc/19/33/02/604193302.db2.gz FLGKCBDMJWGFDY-JTQLQIEISA-N -1 0 370.387 -0.469 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H]2CNC(=O)[O-])c1 ZINC000831259409 604193371 /nfs/dbraw/zinc/19/33/71/604193371.db2.gz FLGKCBDMJWGFDY-SNVBAGLBSA-N -1 0 370.387 -0.469 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)N(C(=O)COC1CN(C(=O)[O-])C1)CC2 ZINC000831259735 604011539 /nfs/dbraw/zinc/01/15/39/604011539.db2.gz HDOCPBMQWGHZRZ-UHFFFAOYSA-N -1 0 355.372 -0.398 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000831259857 603923568 /nfs/dbraw/zinc/92/35/68/603923568.db2.gz IWBNXQAIAPAOGZ-PBINXNQUSA-N -1 0 357.392 -0.680 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000831259942 604020506 /nfs/dbraw/zinc/02/05/06/604020506.db2.gz KDJXTGRDIYVGNE-MNOVXSKESA-N -1 0 371.419 -0.336 20 0 FBADRM NS(=O)(=O)c1cccc(CNC(=O)CN2CCC(NC(=O)[O-])CC2)c1 ZINC000831260347 605629236 /nfs/dbraw/zinc/62/92/36/605629236.db2.gz NHXNGSFSLUIXMW-UHFFFAOYSA-N -1 0 370.431 -0.318 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)[O-])c1 ZINC000831260355 603148057 /nfs/dbraw/zinc/14/80/57/603148057.db2.gz NPOMIQWQFFLUFQ-SECBINFHSA-N -1 0 363.417 -0.245 20 0 FBADRM NS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)[O-])c1 ZINC000831260356 603147908 /nfs/dbraw/zinc/14/79/08/603147908.db2.gz NPOMIQWQFFLUFQ-VIFPVBQESA-N -1 0 363.417 -0.245 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)COC(=O)CC2CN(C(=O)[O-])C2)c1 ZINC000831260665 604088467 /nfs/dbraw/zinc/08/84/67/604088467.db2.gz QFBGGKFPBHTQBJ-UHFFFAOYSA-N -1 0 371.371 -0.184 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000831260976 604923103 /nfs/dbraw/zinc/92/31/03/604923103.db2.gz SCNVSZXTTRGGQL-GFCCVEGCSA-N -1 0 355.372 -0.398 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000831260978 604923287 /nfs/dbraw/zinc/92/32/87/604923287.db2.gz SCNVSZXTTRGGQL-LBPRGKRZSA-N -1 0 355.372 -0.398 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)N(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000831261004 605466320 /nfs/dbraw/zinc/46/63/20/605466320.db2.gz SNENUQDJIJWYJR-LLVKDONJSA-N -1 0 371.419 -0.336 20 0 FBADRM NS(=O)(=O)c1cnn(CCC(=O)N(C2CC2)[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000831261005 605466650 /nfs/dbraw/zinc/46/66/50/605466650.db2.gz SNENUQDJIJWYJR-NSHDSACASA-N -1 0 371.419 -0.336 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)N(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000831261014 604923270 /nfs/dbraw/zinc/92/32/70/604923270.db2.gz SPBWHFZIVNEDAH-LLVKDONJSA-N -1 0 369.399 -0.008 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)N(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)CC2 ZINC000831261015 604923099 /nfs/dbraw/zinc/92/30/99/604923099.db2.gz SPBWHFZIVNEDAH-NSHDSACASA-N -1 0 369.399 -0.008 20 0 FBADRM Nc1c(C(=O)CN2CCC[C@@H]2CNC(=O)[O-])c(=O)[nH]c(=O)n1C1CC1 ZINC000831261051 603572551 /nfs/dbraw/zinc/57/25/51/603572551.db2.gz UMEVMNOXUNGPGY-SECBINFHSA-N -1 0 351.363 -0.219 20 0 FBADRM Nc1c(C(=O)CN2CCC[C@H]2CNC(=O)[O-])c(=O)[nH]c(=O)n1C1CC1 ZINC000831261054 603572492 /nfs/dbraw/zinc/57/24/92/603572492.db2.gz UMEVMNOXUNGPGY-VIFPVBQESA-N -1 0 351.363 -0.219 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000831261063 604068248 /nfs/dbraw/zinc/06/82/48/604068248.db2.gz URNOXUXBQTXDFK-ZJUUUORDSA-N -1 0 357.392 -0.726 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])c1 ZINC000831261435 603921641 /nfs/dbraw/zinc/92/16/41/603921641.db2.gz WHWMQQWACKWXSP-GXSJLCMTSA-N -1 0 359.408 -0.527 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])c1 ZINC000831261436 603922134 /nfs/dbraw/zinc/92/21/34/603922134.db2.gz WHWMQQWACKWXSP-KOLCDFICSA-N -1 0 359.408 -0.527 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])c1 ZINC000831261437 603921920 /nfs/dbraw/zinc/92/19/20/603921920.db2.gz WHWMQQWACKWXSP-MWLCHTKSSA-N -1 0 359.408 -0.527 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])c1 ZINC000831261438 603921987 /nfs/dbraw/zinc/92/19/87/603921987.db2.gz WHWMQQWACKWXSP-ONGXEEELSA-N -1 0 359.408 -0.527 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)COC(=O)C2(NC(=O)[O-])CC2)c1 ZINC000831261442 604763423 /nfs/dbraw/zinc/76/34/23/604763423.db2.gz WLMZNBRNASQJFV-UHFFFAOYSA-N -1 0 357.344 -0.384 20 0 FBADRM NS(=O)(=O)c1ccccc1NC(=O)COC(=O)C1(NC(=O)[O-])CC1 ZINC000831261498 604759628 /nfs/dbraw/zinc/75/96/28/604759628.db2.gz YKVKMAVRTQCWSP-UHFFFAOYSA-N -1 0 357.344 -0.384 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000831261505 603930369 /nfs/dbraw/zinc/93/03/69/603930369.db2.gz YUUXLFMBLKNZRJ-GFCCVEGCSA-N -1 0 367.387 -0.344 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)NC[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000831261506 603930266 /nfs/dbraw/zinc/93/02/66/603930266.db2.gz YUUXLFMBLKNZRJ-LBPRGKRZSA-N -1 0 367.387 -0.344 20 0 FBADRM Nc1ncnc2c1ncn2CCCOC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000831265150 605214279 /nfs/dbraw/zinc/21/42/79/605214279.db2.gz ALZPORICOAZMPB-SECBINFHSA-N -1 0 350.335 -0.279 20 0 FBADRM Nc1ncnc2c1ncn2CCCOC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000831265151 605214425 /nfs/dbraw/zinc/21/44/25/605214425.db2.gz ALZPORICOAZMPB-VIFPVBQESA-N -1 0 350.335 -0.279 20 0 FBADRM Nc1nsc(N2CCN(C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)CC2)n1 ZINC000831265177 604282920 /nfs/dbraw/zinc/28/29/20/604282920.db2.gz BVCVQOSOOZNEKD-SECBINFHSA-N -1 0 356.408 -0.462 20 0 FBADRM Nc1nsc(N2CCN(C(=O)C[C@H]3CN(C(=O)[O-])CCO3)CC2)n1 ZINC000831265178 604283222 /nfs/dbraw/zinc/28/32/22/604283222.db2.gz BVCVQOSOOZNEKD-VIFPVBQESA-N -1 0 356.408 -0.462 20 0 FBADRM Nc1nsc(N2CCN(C(=O)CO[C@H]3CCCN(C(=O)[O-])C3)CC2)n1 ZINC000831265438 605392907 /nfs/dbraw/zinc/39/29/07/605392907.db2.gz LCPGLQVRKFQGRL-JTQLQIEISA-N -1 0 370.435 -0.072 20 0 FBADRM Nc1nsc(N2CCN(C(=O)CO[C@@H]3CCCN(C(=O)[O-])C3)CC2)n1 ZINC000831265439 605393154 /nfs/dbraw/zinc/39/31/54/605393154.db2.gz LCPGLQVRKFQGRL-SNVBAGLBSA-N -1 0 370.435 -0.072 20 0 FBADRM Nc1ncnc2c1ncn2CCCOC(=O)COC1CN(C(=O)[O-])C1 ZINC000831265440 603449451 /nfs/dbraw/zinc/44/94/51/603449451.db2.gz LDPPCENZXGAQOL-UHFFFAOYSA-N -1 0 350.335 -0.279 20 0 FBADRM Nc1nsc(N2CCN(C(=O)CN(C[C@@H]3CCCO3)C(=O)[O-])CC2)n1 ZINC000831265762 604081056 /nfs/dbraw/zinc/08/10/56/604081056.db2.gz SGQOBILLDNDABE-JTQLQIEISA-N -1 0 370.435 -0.072 20 0 FBADRM Nc1nsc(N2CCN(C(=O)CN(C[C@H]3CCCO3)C(=O)[O-])CC2)n1 ZINC000831265763 604081023 /nfs/dbraw/zinc/08/10/23/604081023.db2.gz SGQOBILLDNDABE-SNVBAGLBSA-N -1 0 370.435 -0.072 20 0 FBADRM Nc1nsc(N2CCN(C(=O)N[C@H](CNC(=O)[O-])C3CC3)CC2)n1 ZINC000831265784 605635873 /nfs/dbraw/zinc/63/58/73/605635873.db2.gz SVORHYVNBZLEGG-SECBINFHSA-N -1 0 355.424 -0.002 20 0 FBADRM Nc1nsc(N2CCN(C(=O)N[C@@H](CNC(=O)[O-])C3CC3)CC2)n1 ZINC000831265785 605636103 /nfs/dbraw/zinc/63/61/03/605636103.db2.gz SVORHYVNBZLEGG-VIFPVBQESA-N -1 0 355.424 -0.002 20 0 FBADRM Nc1ncnc2c1ncn2CCCOC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000831266042 603898109 /nfs/dbraw/zinc/89/81/09/603898109.db2.gz YUYZXAODUKQHMJ-SECBINFHSA-N -1 0 350.335 -0.279 20 0 FBADRM Nc1ncnc2c1ncn2CCCOC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000831266044 603897859 /nfs/dbraw/zinc/89/78/59/603897859.db2.gz YUYZXAODUKQHMJ-VIFPVBQESA-N -1 0 350.335 -0.279 20 0 FBADRM COC(=O)c1cc(NC(=O)CN2CCO[C@@H](CO)C2)cc(C(=O)[O-])c1 ZINC000831268629 601426962 /nfs/dbraw/zinc/42/69/62/601426962.db2.gz BNSXEFFLDDLTKF-CYBMUJFWSA-N -1 0 352.343 -0.197 20 0 FBADRM COC(=O)c1cc(NC(=O)CN2CCO[C@H](CO)C2)cc(C(=O)[O-])c1 ZINC000831268631 601426902 /nfs/dbraw/zinc/42/69/02/601426902.db2.gz BNSXEFFLDDLTKF-ZDUSSCGKSA-N -1 0 352.343 -0.197 20 0 FBADRM COC(=O)c1cc(NC(=O)CN2C(=O)C(=O)N(C)C2=O)ccc1C(=O)[O-] ZINC000831269234 600945149 /nfs/dbraw/zinc/94/51/49/600945149.db2.gz KFCUCEUPFSJQPA-UHFFFAOYSA-N -1 0 363.282 -0.470 20 0 FBADRM COC(=O)c1cc(NC(=O)CN2C[C@H](O)C[C@H](O)C2)cc(C(=O)[O-])c1 ZINC000831269249 601556989 /nfs/dbraw/zinc/55/69/89/601556989.db2.gz KTWMNJLACOXGRC-BETUJISGSA-N -1 0 352.343 -0.463 20 0 FBADRM COC(=O)c1cc(NC(=O)CN2CCS(=O)(=O)CC2)ccc1C(=O)[O-] ZINC000831269509 600943990 /nfs/dbraw/zinc/94/39/90/600943990.db2.gz MVPYCWXMBHDNES-UHFFFAOYSA-N -1 0 370.383 -0.160 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000831271416 603761315 /nfs/dbraw/zinc/76/13/15/603761315.db2.gz BPSNWAQUJVNPGY-HRCADAONSA-N -1 0 363.414 -0.023 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000831271417 603761174 /nfs/dbraw/zinc/76/11/74/603761174.db2.gz BPSNWAQUJVNPGY-JYJNAYRXSA-N -1 0 363.414 -0.023 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000831271418 603760836 /nfs/dbraw/zinc/76/08/36/603760836.db2.gz BPSNWAQUJVNPGY-OWCLPIDISA-N -1 0 363.414 -0.023 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000831271419 603760957 /nfs/dbraw/zinc/76/09/57/603760957.db2.gz BPSNWAQUJVNPGY-PMPSAXMXSA-N -1 0 363.414 -0.023 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000831272289 603644509 /nfs/dbraw/zinc/64/45/09/603644509.db2.gz JCDRBLBHJBOBQV-CHWSQXEVSA-N -1 0 354.407 -0.150 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000831272294 603644629 /nfs/dbraw/zinc/64/46/29/603644629.db2.gz JCDRBLBHJBOBQV-OLZOCXBDSA-N -1 0 354.407 -0.150 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000831272296 603644713 /nfs/dbraw/zinc/64/47/13/603644713.db2.gz JCDRBLBHJBOBQV-QWHCGFSZSA-N -1 0 354.407 -0.150 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000831272298 603644754 /nfs/dbraw/zinc/64/47/54/603644754.db2.gz JCDRBLBHJBOBQV-STQMWFEESA-N -1 0 354.407 -0.150 20 0 FBADRM COC(=O)c1cc(NC(=O)Cn2ccc(=O)n(C)c2=O)ccc1C(=O)[O-] ZINC000831275821 600940320 /nfs/dbraw/zinc/94/03/20/600940320.db2.gz DWOPUDKAAJTXTC-UHFFFAOYSA-N -1 0 361.310 -0.330 20 0 FBADRM COC(=O)c1cc(NC(=O)N2CCO[C@@H](C(N)=O)C2)ccc1C(=O)[O-] ZINC000831289756 600663533 /nfs/dbraw/zinc/66/35/33/600663533.db2.gz OPIVWPFYSDEDFB-LLVKDONJSA-N -1 0 351.315 -0.111 20 0 FBADRM COC(=O)c1cc(NC(=O)N2CCO[C@H](C(N)=O)C2)ccc1C(=O)[O-] ZINC000831289757 600663655 /nfs/dbraw/zinc/66/36/55/600663655.db2.gz OPIVWPFYSDEDFB-NSHDSACASA-N -1 0 351.315 -0.111 20 0 FBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)C[C@H]3C=CS(=O)(=O)C3)n2)CC1 ZINC000831297884 603959217 /nfs/dbraw/zinc/95/92/17/603959217.db2.gz CABSKZKKNQSSJT-SECBINFHSA-N -1 0 370.391 -0.508 20 0 FBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)C[C@@H]3C=CS(=O)(=O)C3)n2)CC1 ZINC000831297885 603960158 /nfs/dbraw/zinc/96/01/58/603960158.db2.gz CABSKZKKNQSSJT-VIFPVBQESA-N -1 0 370.391 -0.508 20 0 FBADRM COC(=O)c1cc(NC(=O)NCCNS(C)(=O)=O)ccc1C(=O)[O-] ZINC000831300629 601106179 /nfs/dbraw/zinc/10/61/79/601106179.db2.gz AVXVGHYEAPYOTH-UHFFFAOYSA-N -1 0 359.360 -0.158 20 0 FBADRM COC(=O)c1cc(NC(=O)NCCN2C(=O)CNC2=O)ccc1C(=O)[O-] ZINC000831301105 600668019 /nfs/dbraw/zinc/66/80/19/600668019.db2.gz LJMVHMYPOSLZFQ-UHFFFAOYSA-N -1 0 364.314 -0.155 20 0 FBADRM COC(=O)c1cc(NC(=O)NCCC(=O)NC(N)=O)cc(C(=O)[O-])c1 ZINC000831301110 601882891 /nfs/dbraw/zinc/88/28/91/601882891.db2.gz LSPBMYUWOHIUIT-UHFFFAOYSA-N -1 0 352.303 -0.122 20 0 FBADRM COC(=O)c1cc(NC(=O)c2cn(C)c(=O)n(C)c2=O)ccc1C(=O)[O-] ZINC000831316165 600946832 /nfs/dbraw/zinc/94/68/32/600946832.db2.gz RUFLJRFDGDHHMV-UHFFFAOYSA-N -1 0 361.310 -0.179 20 0 FBADRM O=C([O-])N1CCC[C@H]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000831319059 603242691 /nfs/dbraw/zinc/24/26/91/603242691.db2.gz GARNSICQRCKYAB-AWEZNQCLSA-N -1 0 368.434 -0.478 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000831319060 603242940 /nfs/dbraw/zinc/24/29/40/603242940.db2.gz GARNSICQRCKYAB-CQSZACIVSA-N -1 0 368.434 -0.478 20 0 FBADRM O=C([O-])N1CCC[C@H]1CC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000831319495 603268755 /nfs/dbraw/zinc/26/87/55/603268755.db2.gz KKNWOZBMTCDEEZ-AWEZNQCLSA-N -1 0 368.434 -0.478 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000831319496 603269089 /nfs/dbraw/zinc/26/90/89/603269089.db2.gz KKNWOZBMTCDEEZ-CQSZACIVSA-N -1 0 368.434 -0.478 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000831321140 603244561 /nfs/dbraw/zinc/24/45/61/603244561.db2.gz UQVRFJDFZIRPLS-CHWSQXEVSA-N -1 0 359.448 -0.150 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000831321144 603244552 /nfs/dbraw/zinc/24/45/52/603244552.db2.gz UQVRFJDFZIRPLS-OLZOCXBDSA-N -1 0 359.448 -0.150 20 0 FBADRM O=C([O-])N1CCC[C@H]1CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000831321146 603244672 /nfs/dbraw/zinc/24/46/72/603244672.db2.gz UQVRFJDFZIRPLS-QWHCGFSZSA-N -1 0 359.448 -0.150 20 0 FBADRM O=C([O-])N1CCC[C@H]1CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000831321149 603244776 /nfs/dbraw/zinc/24/47/76/603244776.db2.gz UQVRFJDFZIRPLS-STQMWFEESA-N -1 0 359.448 -0.150 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000831321667 603353347 /nfs/dbraw/zinc/35/33/47/603353347.db2.gz WWSGIIQGWOZKFC-CYBMUJFWSA-N -1 0 366.418 -0.188 20 0 FBADRM O=C([O-])N1CCC[C@H]1CC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000831321669 603352972 /nfs/dbraw/zinc/35/29/72/603352972.db2.gz WWSGIIQGWOZKFC-ZDUSSCGKSA-N -1 0 366.418 -0.188 20 0 FBADRM O=C(C[C@@H]1CCCN1C(=O)[O-])N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000831326068 602956683 /nfs/dbraw/zinc/95/66/83/602956683.db2.gz GIVLKCCLQUQPOT-KBPBESRZSA-N -1 0 368.434 -0.432 20 0 FBADRM O=C(C[C@@H]1CCCN1C(=O)[O-])N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000831326069 602956946 /nfs/dbraw/zinc/95/69/46/602956946.db2.gz GIVLKCCLQUQPOT-KGLIPLIRSA-N -1 0 368.434 -0.432 20 0 FBADRM O=C(C[C@H]1CCCN1C(=O)[O-])N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000831326070 602956942 /nfs/dbraw/zinc/95/69/42/602956942.db2.gz GIVLKCCLQUQPOT-UONOGXRCSA-N -1 0 368.434 -0.432 20 0 FBADRM O=C(C[C@H]1CCCN1C(=O)[O-])N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000831326071 602956931 /nfs/dbraw/zinc/95/69/31/602956931.db2.gz GIVLKCCLQUQPOT-ZIAGYGMSSA-N -1 0 368.434 -0.432 20 0 FBADRM O=C(CCNC(=O)C[C@H]1CCCN1C(=O)[O-])N[C@@H]1CCS(=O)(=O)C1 ZINC000831328833 603328939 /nfs/dbraw/zinc/32/89/39/603328939.db2.gz UWTVLDTUGYVOPU-GHMZBOCLSA-N -1 0 361.420 -0.672 20 0 FBADRM O=C(CCNC(=O)C[C@@H]1CCCN1C(=O)[O-])N[C@@H]1CCS(=O)(=O)C1 ZINC000831328834 603330410 /nfs/dbraw/zinc/33/04/10/603330410.db2.gz UWTVLDTUGYVOPU-MNOVXSKESA-N -1 0 361.420 -0.672 20 0 FBADRM O=C(CCNC(=O)C[C@@H]1CCCN1C(=O)[O-])N[C@H]1CCS(=O)(=O)C1 ZINC000831328835 603330366 /nfs/dbraw/zinc/33/03/66/603330366.db2.gz UWTVLDTUGYVOPU-QWRGUYRKSA-N -1 0 361.420 -0.672 20 0 FBADRM O=C(CCNC(=O)C[C@H]1CCCN1C(=O)[O-])N[C@H]1CCS(=O)(=O)C1 ZINC000831328837 603330380 /nfs/dbraw/zinc/33/03/80/603330380.db2.gz UWTVLDTUGYVOPU-WDEREUQCSA-N -1 0 361.420 -0.672 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000831332740 603997416 /nfs/dbraw/zinc/99/74/16/603997416.db2.gz ADQVOHPPZGUQRP-LLVKDONJSA-N -1 0 360.392 -0.257 20 0 FBADRM O=C([O-])N1CCC[C@H]1CC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000831332762 603997355 /nfs/dbraw/zinc/99/73/55/603997355.db2.gz ADQVOHPPZGUQRP-NSHDSACASA-N -1 0 360.392 -0.257 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])oc1C ZINC000831337636 601215288 /nfs/dbraw/zinc/21/52/88/601215288.db2.gz DSZWTETUCKHMND-SECBINFHSA-N -1 0 360.344 -0.662 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])oc1C ZINC000831337637 601215285 /nfs/dbraw/zinc/21/52/85/601215285.db2.gz DSZWTETUCKHMND-VIFPVBQESA-N -1 0 360.344 -0.662 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])ccc1C ZINC000831337662 600767133 /nfs/dbraw/zinc/76/71/33/600767133.db2.gz GRILGVSLGVKVKV-GFCCVEGCSA-N -1 0 370.383 -0.255 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])ccc1C ZINC000831337663 600767270 /nfs/dbraw/zinc/76/72/70/600767270.db2.gz GRILGVSLGVKVKV-LBPRGKRZSA-N -1 0 370.383 -0.255 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCCn3nc(C(=O)[O-])nc32)c[nH]1 ZINC000831337666 600978630 /nfs/dbraw/zinc/97/86/30/600978630.db2.gz HCGJJQQSYNDDKJ-UHFFFAOYSA-N -1 0 355.332 -0.310 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])ccc1F ZINC000831337679 601208892 /nfs/dbraw/zinc/20/88/92/601208892.db2.gz HUCXCVFHLNUSBX-LLVKDONJSA-N -1 0 374.346 -0.424 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])ccc1F ZINC000831337680 601208627 /nfs/dbraw/zinc/20/86/27/601208627.db2.gz HUCXCVFHLNUSBX-NSHDSACASA-N -1 0 374.346 -0.424 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c[nH]1 ZINC000831337864 601259160 /nfs/dbraw/zinc/25/91/60/601259160.db2.gz NSMJGEBHWWJCFT-JTQLQIEISA-N -1 0 359.404 -0.029 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c[nH]1 ZINC000831337865 601259270 /nfs/dbraw/zinc/25/92/70/601259270.db2.gz NSMJGEBHWWJCFT-SNVBAGLBSA-N -1 0 359.404 -0.029 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cs1 ZINC000831338036 661145810 /nfs/dbraw/zinc/14/58/10/661145810.db2.gz PZCDIFLHXVDBHJ-MRVPVSSYSA-N -1 0 362.385 -0.502 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cs1 ZINC000831338038 661145855 /nfs/dbraw/zinc/14/58/55/661145855.db2.gz PZCDIFLHXVDBHJ-QMMMGPOBSA-N -1 0 362.385 -0.502 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cn1C ZINC000831338050 601258531 /nfs/dbraw/zinc/25/85/31/601258531.db2.gz QNDJWBZXFUUPDS-LLVKDONJSA-N -1 0 373.431 -0.019 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cn1C ZINC000831338052 601258402 /nfs/dbraw/zinc/25/84/02/601258402.db2.gz QNDJWBZXFUUPDS-NSHDSACASA-N -1 0 373.431 -0.019 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)OC)cs1 ZINC000831343276 600700780 /nfs/dbraw/zinc/70/07/80/600700780.db2.gz KPTLHUHZVXMISZ-SSDOTTSWSA-N -1 0 351.358 -0.171 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)OC)cs1 ZINC000831343286 600700749 /nfs/dbraw/zinc/70/07/49/600700749.db2.gz KPTLHUHZVXMISZ-ZETCQYMHSA-N -1 0 351.358 -0.171 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)OC)ccc1F ZINC000831343632 601213089 /nfs/dbraw/zinc/21/30/89/601213089.db2.gz RCTWOASLAJHUKV-JTQLQIEISA-N -1 0 363.319 -0.093 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)OC)ccc1F ZINC000831343633 601212874 /nfs/dbraw/zinc/21/28/74/601212874.db2.gz RCTWOASLAJHUKV-SNVBAGLBSA-N -1 0 363.319 -0.093 20 0 FBADRM O=C([O-])N1CCC(CC(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000831350777 603997250 /nfs/dbraw/zinc/99/72/50/603997250.db2.gz RNRFXEQEFYUZKT-UHFFFAOYSA-N -1 0 374.419 -0.010 20 0 FBADRM O=C(C[C@H]1CCS(=O)(=O)C1)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000831351300 603956422 /nfs/dbraw/zinc/95/64/22/603956422.db2.gz WYJBJLYVICFYJP-SECBINFHSA-N -1 0 372.407 -0.632 20 0 FBADRM O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000831351301 603956680 /nfs/dbraw/zinc/95/66/80/603956680.db2.gz WYJBJLYVICFYJP-VIFPVBQESA-N -1 0 372.407 -0.632 20 0 FBADRM COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCO[C@H](CC(=O)[O-])C1 ZINC000831353955 601381631 /nfs/dbraw/zinc/38/16/31/601381631.db2.gz PWYAQLIAWFDNNO-SECBINFHSA-N -1 0 358.372 -0.200 20 0 FBADRM COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCO[C@@H](CC(=O)[O-])C1 ZINC000831353958 601381655 /nfs/dbraw/zinc/38/16/55/601381655.db2.gz PWYAQLIAWFDNNO-VIFPVBQESA-N -1 0 358.372 -0.200 20 0 FBADRM O=C(CC1CN(C(=O)[O-])C1)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000831355069 603814387 /nfs/dbraw/zinc/81/43/87/603814387.db2.gz HFPTVDYADRRAFY-CYBMUJFWSA-N -1 0 354.407 -0.964 20 0 FBADRM O=C(CC1CN(C(=O)[O-])C1)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000831355070 603814673 /nfs/dbraw/zinc/81/46/73/603814673.db2.gz HFPTVDYADRRAFY-ZDUSSCGKSA-N -1 0 354.407 -0.964 20 0 FBADRM O=C(CC1CN(C(=O)[O-])C1)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000831360511 603784934 /nfs/dbraw/zinc/78/49/34/603784934.db2.gz IDHIZYZNPROQGC-GFCCVEGCSA-N -1 0 363.436 -0.409 20 0 FBADRM O=C(CC1CN(C(=O)[O-])C1)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000831360512 603784754 /nfs/dbraw/zinc/78/47/54/603784754.db2.gz IDHIZYZNPROQGC-LBPRGKRZSA-N -1 0 363.436 -0.409 20 0 FBADRM O=C(CC1CN(C(=O)[O-])C1)NCCS(=O)(=O)N1CCSCC1 ZINC000831360618 603573741 /nfs/dbraw/zinc/57/37/41/603573741.db2.gz KGELKYMAIGOVTL-UHFFFAOYSA-N -1 0 351.450 -0.519 20 0 FBADRM O=C([O-])N1CC(CC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 ZINC000831361207 603668109 /nfs/dbraw/zinc/66/81/09/603668109.db2.gz YILTYRYYVXFUSL-UHFFFAOYSA-N -1 0 374.397 -0.125 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)N2C[C@@H](O)[C@@H](O)C2)c1 ZINC000831363082 601155436 /nfs/dbraw/zinc/15/54/36/601155436.db2.gz AMVHGPXVULJGTK-AQUOVQTQSA-N -1 0 352.343 -0.464 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)N2C[C@@H](O)[C@@H](O)C2)c1 ZINC000831363084 601155483 /nfs/dbraw/zinc/15/54/83/601155483.db2.gz AMVHGPXVULJGTK-WQHBLYJGSA-N -1 0 352.343 -0.464 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)N2C[C@H](O)C[C@H](O)C2)c1 ZINC000831363548 601557184 /nfs/dbraw/zinc/55/71/84/601557184.db2.gz DGNXPSLHNRLGBY-JLLWLGSASA-N -1 0 366.370 -0.074 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)N2C[C@H](O)C[C@H](O)C2)c1 ZINC000831363550 601557214 /nfs/dbraw/zinc/55/72/14/601557214.db2.gz DGNXPSLHNRLGBY-ZMLRMANQSA-N -1 0 366.370 -0.074 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCC(=O)NC2CC2)c1 ZINC000831363905 601187636 /nfs/dbraw/zinc/18/76/36/601187636.db2.gz GCUANMSMFLZETP-UHFFFAOYSA-N -1 0 356.356 -0.272 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H](O)[C@@H](O)C1 ZINC000831368373 601155418 /nfs/dbraw/zinc/15/54/18/601155418.db2.gz CIISMVVDWVNWMV-AQUOVQTQSA-N -1 0 352.343 -0.464 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@@H](O)[C@@H](O)C1 ZINC000831368374 601155359 /nfs/dbraw/zinc/15/53/59/601155359.db2.gz CIISMVVDWVNWMV-WQHBLYJGSA-N -1 0 352.343 -0.464 20 0 FBADRM O=C([O-])N1CC(CC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000831371049 603814729 /nfs/dbraw/zinc/81/47/29/603814729.db2.gz WDCSEFDPQIJVFD-UHFFFAOYSA-N -1 0 351.363 -0.320 20 0 FBADRM O=C([O-])N1CC(CC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000831371060 603836988 /nfs/dbraw/zinc/83/69/88/603836988.db2.gz WXYHVHRZJUSZGF-UHFFFAOYSA-N -1 0 351.363 -0.320 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@H](O)C[C@H](O)C1 ZINC000831371389 601557167 /nfs/dbraw/zinc/55/71/67/601557167.db2.gz WVEFDVMMRZJXOI-JLLWLGSASA-N -1 0 366.370 -0.074 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1C[C@H](O)C[C@H](O)C1 ZINC000831371390 601557142 /nfs/dbraw/zinc/55/71/42/601557142.db2.gz WVEFDVMMRZJXOI-ZMLRMANQSA-N -1 0 366.370 -0.074 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)NCC(=O)NC1CC1 ZINC000831375395 601187667 /nfs/dbraw/zinc/18/76/67/601187667.db2.gz XKZUKCSKYKZJHJ-UHFFFAOYSA-N -1 0 356.356 -0.272 20 0 FBADRM O=C(CC1CN(C(=O)[O-])C1)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000831376642 604098488 /nfs/dbraw/zinc/09/84/88/604098488.db2.gz SYYREYKGYIEHMW-UHFFFAOYSA-N -1 0 353.375 -0.390 20 0 FBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000831376880 604886252 /nfs/dbraw/zinc/88/62/52/604886252.db2.gz WGXLHQZNCJOZDN-CHWSQXEVSA-N -1 0 355.391 -0.349 20 0 FBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000831377053 604886603 /nfs/dbraw/zinc/88/66/03/604886603.db2.gz WGXLHQZNCJOZDN-OLZOCXBDSA-N -1 0 355.391 -0.349 20 0 FBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000831377054 604886362 /nfs/dbraw/zinc/88/63/62/604886362.db2.gz WGXLHQZNCJOZDN-QWHCGFSZSA-N -1 0 355.391 -0.349 20 0 FBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000831377055 604886491 /nfs/dbraw/zinc/88/64/91/604886491.db2.gz WGXLHQZNCJOZDN-STQMWFEESA-N -1 0 355.391 -0.349 20 0 FBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000831380260 604976146 /nfs/dbraw/zinc/97/61/46/604976146.db2.gz CFJPBUXDFOODNZ-FCHSOHFDSA-N -1 0 354.363 -0.750 20 0 FBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000831380261 604976257 /nfs/dbraw/zinc/97/62/57/604976257.db2.gz CFJPBUXDFOODNZ-FEUHOPSXSA-N -1 0 354.363 -0.750 20 0 FBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000831380262 604976258 /nfs/dbraw/zinc/97/62/58/604976258.db2.gz CFJPBUXDFOODNZ-IQMDTDKHSA-N -1 0 354.363 -0.750 20 0 FBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000831380263 604976149 /nfs/dbraw/zinc/97/61/49/604976149.db2.gz CFJPBUXDFOODNZ-WMFXKJRFSA-N -1 0 354.363 -0.750 20 0 FBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NCCNS(=O)(=O)c1ccccc1 ZINC000831380838 604680533 /nfs/dbraw/zinc/68/05/33/604680533.db2.gz HFACMKVYCDCXOI-GFCCVEGCSA-N -1 0 371.415 -0.150 20 0 FBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NCCNS(=O)(=O)c1ccccc1 ZINC000831380840 604680558 /nfs/dbraw/zinc/68/05/58/604680558.db2.gz HFACMKVYCDCXOI-LBPRGKRZSA-N -1 0 371.415 -0.150 20 0 FBADRM O=C([O-])N1CCO[C@H](CC(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000831381426 605534027 /nfs/dbraw/zinc/53/40/27/605534027.db2.gz JUJJNCCVSIOZCR-LLVKDONJSA-N -1 0 372.403 -0.755 20 0 FBADRM O=C([O-])N1CCO[C@@H](CC(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000831381430 605534270 /nfs/dbraw/zinc/53/42/70/605534270.db2.gz JUJJNCCVSIOZCR-NSHDSACASA-N -1 0 372.403 -0.755 20 0 FBADRM O=C([O-])N1CCO[C@H](CC(=O)NCC2(O)CCC3(CC2)OCCO3)C1 ZINC000831383250 604262699 /nfs/dbraw/zinc/26/26/99/604262699.db2.gz UNBVJOKHMQNNPE-GFCCVEGCSA-N -1 0 358.391 -0.080 20 0 FBADRM O=C([O-])N1CCO[C@@H](CC(=O)NCC2(O)CCC3(CC2)OCCO3)C1 ZINC000831383251 604262645 /nfs/dbraw/zinc/26/26/45/604262645.db2.gz UNBVJOKHMQNNPE-LBPRGKRZSA-N -1 0 358.391 -0.080 20 0 FBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NCCCn1nc2n(c1=O)CCCC2 ZINC000831383376 604720809 /nfs/dbraw/zinc/72/08/09/604720809.db2.gz UTFCIAWMOLLTBN-GFCCVEGCSA-N -1 0 367.406 -0.344 20 0 FBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NCCCn1nc2n(c1=O)CCCC2 ZINC000831383387 604721177 /nfs/dbraw/zinc/72/11/77/604721177.db2.gz UTFCIAWMOLLTBN-LBPRGKRZSA-N -1 0 367.406 -0.344 20 0 FBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NCCS(=O)(=O)NCC1CCC1 ZINC000831383515 604870246 /nfs/dbraw/zinc/87/02/46/604870246.db2.gz VYYNXAQYPLPNBI-GFCCVEGCSA-N -1 0 363.436 -0.409 20 0 FBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NCCS(=O)(=O)NCC1CCC1 ZINC000831383518 604870095 /nfs/dbraw/zinc/87/00/95/604870095.db2.gz VYYNXAQYPLPNBI-LBPRGKRZSA-N -1 0 363.436 -0.409 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](CO)C2)cc1C(=O)[O-] ZINC000831388699 601351909 /nfs/dbraw/zinc/35/19/09/601351909.db2.gz BHBGQPKWRNKABW-SECBINFHSA-N -1 0 350.327 -0.049 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](CO)C2)cc1C(=O)[O-] ZINC000831388702 601352009 /nfs/dbraw/zinc/35/20/09/601352009.db2.gz BHBGQPKWRNKABW-VIFPVBQESA-N -1 0 350.327 -0.049 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)cc1C(=O)[O-] ZINC000831389358 601483191 /nfs/dbraw/zinc/48/31/91/601483191.db2.gz GMYLREVMBQLDKV-AOOOYVTPSA-N -1 0 366.326 -0.936 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N2CCCNC(=O)C2)cc1C(=O)[O-] ZINC000831390116 600885987 /nfs/dbraw/zinc/88/59/87/600885987.db2.gz LNTAHMUYVLLBSK-UHFFFAOYSA-N -1 0 363.326 -0.542 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](CO)C2)cc1C(=O)[O-] ZINC000831390524 601456048 /nfs/dbraw/zinc/45/60/48/601456048.db2.gz OXYOQEMPBYNWNZ-JTQLQIEISA-N -1 0 366.326 -0.670 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](CO)C2)cc1C(=O)[O-] ZINC000831390526 601456129 /nfs/dbraw/zinc/45/61/29/601456129.db2.gz OXYOQEMPBYNWNZ-SNVBAGLBSA-N -1 0 366.326 -0.670 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)cc1C(=O)[O-] ZINC000831390587 600888473 /nfs/dbraw/zinc/88/84/73/600888473.db2.gz PWFWEFMQHVUZEI-MRVPVSSYSA-N -1 0 363.326 -0.556 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)cc1C(=O)[O-] ZINC000831390589 600888470 /nfs/dbraw/zinc/88/84/70/600888470.db2.gz PWFWEFMQHVUZEI-QMMMGPOBSA-N -1 0 363.326 -0.556 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CC(N)=O)cc1C(=O)[O-] ZINC000831391246 601366228 /nfs/dbraw/zinc/36/62/28/601366228.db2.gz VZLSFDUPUCWHAY-SSDOTTSWSA-N -1 0 351.315 -0.510 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CC(N)=O)cc1C(=O)[O-] ZINC000831391250 601366216 /nfs/dbraw/zinc/36/62/16/601366216.db2.gz VZLSFDUPUCWHAY-ZETCQYMHSA-N -1 0 351.315 -0.510 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N2CCN(C)C(=O)C2)cc1C(=O)[O-] ZINC000831391308 601363547 /nfs/dbraw/zinc/36/35/47/601363547.db2.gz WUPIVHCEGHJDIJ-UHFFFAOYSA-N -1 0 363.326 -0.590 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1C(=O)OC ZINC000831392130 600897940 /nfs/dbraw/zinc/89/79/40/600897940.db2.gz AODVXNSVIFOBKM-UHFFFAOYSA-N -1 0 352.299 -0.211 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)NCC(=O)N(C)C)cc1C(=O)[O-] ZINC000831392298 600865459 /nfs/dbraw/zinc/86/54/59/600865459.db2.gz CIEIRMOEGBHXKO-UHFFFAOYSA-N -1 0 351.315 -0.686 20 0 FBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000831392406 604970421 /nfs/dbraw/zinc/97/04/21/604970421.db2.gz BIIDVFRWORWVAG-GHMZBOCLSA-N -1 0 372.403 -0.050 20 0 FBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000831392409 604970697 /nfs/dbraw/zinc/97/06/97/604970697.db2.gz BIIDVFRWORWVAG-MNOVXSKESA-N -1 0 372.403 -0.050 20 0 FBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000831392411 604970657 /nfs/dbraw/zinc/97/06/57/604970657.db2.gz BIIDVFRWORWVAG-QWRGUYRKSA-N -1 0 372.403 -0.050 20 0 FBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000831392413 604970854 /nfs/dbraw/zinc/97/08/54/604970854.db2.gz BIIDVFRWORWVAG-WDEREUQCSA-N -1 0 372.403 -0.050 20 0 FBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)Nc1cnn(CCN2CCOCC2)c1 ZINC000831392744 604828727 /nfs/dbraw/zinc/82/87/27/604828727.db2.gz DSTZPTGZACPUNO-AWEZNQCLSA-N -1 0 367.406 -0.077 20 0 FBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)Nc1cnn(CCN2CCOCC2)c1 ZINC000831392745 604828736 /nfs/dbraw/zinc/82/87/36/604828736.db2.gz DSTZPTGZACPUNO-CQSZACIVSA-N -1 0 367.406 -0.077 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCNC2=O)cc1C(=O)[O-] ZINC000831392886 601349282 /nfs/dbraw/zinc/34/92/82/601349282.db2.gz HUABLTMRHSNUAG-LLVKDONJSA-N -1 0 363.326 -0.495 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCNC2=O)cc1C(=O)[O-] ZINC000831392891 601349283 /nfs/dbraw/zinc/34/92/83/601349283.db2.gz HUABLTMRHSNUAG-NSHDSACASA-N -1 0 363.326 -0.495 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)C2CC2)cc1C(=O)[O-] ZINC000831393101 600894053 /nfs/dbraw/zinc/89/40/53/600894053.db2.gz IGFSSQOSNVRIMF-GFCCVEGCSA-N -1 0 350.327 -0.003 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N[C@@H](CO)C2CC2)cc1C(=O)[O-] ZINC000831393104 600894172 /nfs/dbraw/zinc/89/41/72/600894172.db2.gz IGFSSQOSNVRIMF-LBPRGKRZSA-N -1 0 350.327 -0.003 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)NCC2(CO)CC2)cc1C(=O)[O-] ZINC000831393205 601341922 /nfs/dbraw/zinc/34/19/22/601341922.db2.gz IWLRGMLWZDDHFJ-UHFFFAOYSA-N -1 0 350.327 -0.001 20 0 FBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)Nc1ccn(CCN2CCOCC2)n1 ZINC000831393226 604864328 /nfs/dbraw/zinc/86/43/28/604864328.db2.gz HBGMQMLJYULQRZ-CYBMUJFWSA-N -1 0 367.406 -0.077 20 0 FBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)Nc1ccn(CCN2CCOCC2)n1 ZINC000831393229 604863998 /nfs/dbraw/zinc/86/39/98/604863998.db2.gz HBGMQMLJYULQRZ-ZDUSSCGKSA-N -1 0 367.406 -0.077 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)cc1C(=O)[O-] ZINC000831393477 601350277 /nfs/dbraw/zinc/35/02/77/601350277.db2.gz MNAVOTOJZUWHFT-SECBINFHSA-N -1 0 363.326 -0.543 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)cc1C(=O)[O-] ZINC000831393478 601350098 /nfs/dbraw/zinc/35/00/98/601350098.db2.gz MNAVOTOJZUWHFT-VIFPVBQESA-N -1 0 363.326 -0.543 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)NCC(=O)NC2CC2)cc1C(=O)[O-] ZINC000831393483 600866726 /nfs/dbraw/zinc/86/67/26/600866726.db2.gz MVSPCKCOWQCCNN-UHFFFAOYSA-N -1 0 363.326 -0.495 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2COCCO2)cc1C(=O)[O-] ZINC000831393501 600878522 /nfs/dbraw/zinc/87/85/22/600878522.db2.gz NNHHCMLSACMEQT-JTQLQIEISA-N -1 0 366.326 -0.359 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2COCCO2)cc1C(=O)[O-] ZINC000831393502 600878557 /nfs/dbraw/zinc/87/85/57/600878557.db2.gz NNHHCMLSACMEQT-SNVBAGLBSA-N -1 0 366.326 -0.359 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)NCCC(=O)N(C)C)cc1C(=O)[O-] ZINC000831393511 600870955 /nfs/dbraw/zinc/87/09/55/600870955.db2.gz NSVHNELSRHJHFH-UHFFFAOYSA-N -1 0 365.342 -0.296 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C(=O)N(C)C)cc1C(=O)[O-] ZINC000831393623 601497121 /nfs/dbraw/zinc/49/71/21/601497121.db2.gz OFNFBSUQJJNGRN-MRVPVSSYSA-N -1 0 365.342 -0.297 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C2CC2)cc1C(=O)[O-] ZINC000831393947 601353469 /nfs/dbraw/zinc/35/34/69/601353469.db2.gz QAFXZABJGYTALF-GFCCVEGCSA-N -1 0 350.327 -0.003 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)C2CC2)cc1C(=O)[O-] ZINC000831393948 601353558 /nfs/dbraw/zinc/35/35/58/601353558.db2.gz QAFXZABJGYTALF-LBPRGKRZSA-N -1 0 350.327 -0.003 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)NCC(=O)NC(C)C)cc1C(=O)[O-] ZINC000831394924 600866722 /nfs/dbraw/zinc/86/67/22/600866722.db2.gz WNONBGLLBSBUAB-UHFFFAOYSA-N -1 0 365.342 -0.249 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)NCCCNC(C)=O)cc1C(=O)[O-] ZINC000831394927 600869627 /nfs/dbraw/zinc/86/96/27/600869627.db2.gz WOZBYBNEVCWYGT-UHFFFAOYSA-N -1 0 365.342 -0.248 20 0 FBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000831395540 604727796 /nfs/dbraw/zinc/72/77/96/604727796.db2.gz RRMGILVIHONMEJ-GFCCVEGCSA-N -1 0 351.363 -0.131 20 0 FBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000831395541 604728325 /nfs/dbraw/zinc/72/83/25/604728325.db2.gz RRMGILVIHONMEJ-LBPRGKRZSA-N -1 0 351.363 -0.131 20 0 FBADRM COC(=O)c1ccc(NC(=O)CN2C(=O)C(=O)N(C)C2=O)cc1C(=O)[O-] ZINC000831399387 600945609 /nfs/dbraw/zinc/94/56/09/600945609.db2.gz PLWSMYMEAQIXNP-UHFFFAOYSA-N -1 0 363.282 -0.470 20 0 FBADRM COC(=O)c1ccc(NC(=O)CN2CCS(=O)(=O)CC2)cc1C(=O)[O-] ZINC000831399686 600944506 /nfs/dbraw/zinc/94/45/06/600944506.db2.gz VFMZCLZBQSSREZ-UHFFFAOYSA-N -1 0 370.383 -0.160 20 0 FBADRM O=C([O-])N1CCSC[C@H]1CC(=O)N1CCN(CCn2cncn2)CC1 ZINC000831402199 605316807 /nfs/dbraw/zinc/31/68/07/605316807.db2.gz LMIQIPISVAXYFF-CYBMUJFWSA-N -1 0 368.463 -0.092 20 0 FBADRM O=C([O-])N1CCSC[C@@H]1CC(=O)N1CCN(CCn2cncn2)CC1 ZINC000831402233 605316617 /nfs/dbraw/zinc/31/66/17/605316617.db2.gz LMIQIPISVAXYFF-ZDUSSCGKSA-N -1 0 368.463 -0.092 20 0 FBADRM O=C([O-])N1CCSC[C@H]1CC(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000831403482 605655682 /nfs/dbraw/zinc/65/56/82/605655682.db2.gz XCXHQHHUHLLNPG-NEPJUHHUSA-N -1 0 355.420 -0.009 20 0 FBADRM O=C([O-])N1CCSC[C@@H]1CC(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000831403483 605655715 /nfs/dbraw/zinc/65/57/15/605655715.db2.gz XCXHQHHUHLLNPG-NWDGAFQWSA-N -1 0 355.420 -0.009 20 0 FBADRM O=C([O-])N1CCSC[C@@H]1CC(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000831403484 605655371 /nfs/dbraw/zinc/65/53/71/605655371.db2.gz XCXHQHHUHLLNPG-RYUDHWBXSA-N -1 0 355.420 -0.009 20 0 FBADRM O=C([O-])N1CCSC[C@H]1CC(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000831403485 605655305 /nfs/dbraw/zinc/65/53/05/605655305.db2.gz XCXHQHHUHLLNPG-VXGBXAGGSA-N -1 0 355.420 -0.009 20 0 FBADRM COC(=O)c1ccc(NC(=O)Cn2ccc(=O)n(C)c2=O)cc1C(=O)[O-] ZINC000831405015 600940769 /nfs/dbraw/zinc/94/07/69/600940769.db2.gz ODMVMFUFAJNQKK-UHFFFAOYSA-N -1 0 361.310 -0.330 20 0 FBADRM O=C(C[C@H]1CSCCN1C(=O)[O-])NCCN1CCCS1(=O)=O ZINC000831406807 605631142 /nfs/dbraw/zinc/63/11/42/605631142.db2.gz BWVOZDVUICIOLW-JTQLQIEISA-N -1 0 351.450 -0.376 20 0 FBADRM O=C(C[C@@H]1CSCCN1C(=O)[O-])NCCN1CCCS1(=O)=O ZINC000831406809 605630827 /nfs/dbraw/zinc/63/08/27/605630827.db2.gz BWVOZDVUICIOLW-SNVBAGLBSA-N -1 0 351.450 -0.376 20 0 FBADRM O=C([O-])N1CCSC[C@@H]1CC(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000831406811 605318847 /nfs/dbraw/zinc/31/88/47/605318847.db2.gz BXASQTQNCRNLPQ-JTQLQIEISA-N -1 0 366.461 -0.472 20 0 FBADRM O=C([O-])N1CCSC[C@H]1CC(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000831406812 605318617 /nfs/dbraw/zinc/31/86/17/605318617.db2.gz BXASQTQNCRNLPQ-SNVBAGLBSA-N -1 0 366.461 -0.472 20 0 FBADRM O=C(C[C@@H]1CSCCN1C(=O)[O-])NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000831407498 605324164 /nfs/dbraw/zinc/32/41/64/605324164.db2.gz GQVORHILXQJENI-FCHSOHFDSA-N -1 0 370.431 -0.034 20 0 FBADRM O=C(C[C@@H]1CSCCN1C(=O)[O-])NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000831407501 605324669 /nfs/dbraw/zinc/32/46/69/605324669.db2.gz GQVORHILXQJENI-FEUHOPSXSA-N -1 0 370.431 -0.034 20 0 FBADRM O=C(C[C@@H]1CSCCN1C(=O)[O-])NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000831407503 605323902 /nfs/dbraw/zinc/32/39/02/605323902.db2.gz GQVORHILXQJENI-IQMDTDKHSA-N -1 0 370.431 -0.034 20 0 FBADRM O=C(C[C@@H]1CSCCN1C(=O)[O-])NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000831407506 605324652 /nfs/dbraw/zinc/32/46/52/605324652.db2.gz GQVORHILXQJENI-WMFXKJRFSA-N -1 0 370.431 -0.034 20 0 FBADRM O=C(C[C@@H]1CSCCN1C(=O)[O-])NCCN1CCS(=O)(=O)CC1 ZINC000831408533 605884117 /nfs/dbraw/zinc/88/41/17/605884117.db2.gz NOHHMWWGSZKRIR-LLVKDONJSA-N -1 0 365.477 -0.682 20 0 FBADRM O=C(C[C@H]1CSCCN1C(=O)[O-])NCCN1CCS(=O)(=O)CC1 ZINC000831408534 605883945 /nfs/dbraw/zinc/88/39/45/605883945.db2.gz NOHHMWWGSZKRIR-NSHDSACASA-N -1 0 365.477 -0.682 20 0 FBADRM COC(=O)c1ccc(NC(=O)N2CCO[C@@H](C(N)=O)C2)cc1C(=O)[O-] ZINC000831410701 600664041 /nfs/dbraw/zinc/66/40/41/600664041.db2.gz MTDGYLPHOYNIGX-LLVKDONJSA-N -1 0 351.315 -0.111 20 0 FBADRM COC(=O)c1ccc(NC(=O)N2CCO[C@H](C(N)=O)C2)cc1C(=O)[O-] ZINC000831410702 600663967 /nfs/dbraw/zinc/66/39/67/600663967.db2.gz MTDGYLPHOYNIGX-NSHDSACASA-N -1 0 351.315 -0.111 20 0 FBADRM O=C([O-])N1CC(NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000831422416 604921432 /nfs/dbraw/zinc/92/14/32/604921432.db2.gz ALOAVRRKTXLYQR-UHFFFAOYSA-N -1 0 362.390 -0.616 20 0 FBADRM O=C([O-])N1CC(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000831423867 604921449 /nfs/dbraw/zinc/92/14/49/604921449.db2.gz MAJRDHNPFABAQM-UHFFFAOYSA-N -1 0 361.402 -0.011 20 0 FBADRM COC(=O)c1ccc(NC(=O)NCCNS(C)(=O)=O)cc1C(=O)[O-] ZINC000831424113 601106900 /nfs/dbraw/zinc/10/69/00/601106900.db2.gz PLMRQRIVSUASQW-UHFFFAOYSA-N -1 0 359.360 -0.158 20 0 FBADRM COC(=O)c1ccc(NC(=O)NCCN2C(=O)CNC2=O)cc1C(=O)[O-] ZINC000831424570 600668643 /nfs/dbraw/zinc/66/86/43/600668643.db2.gz UOMOPIGQEHEXKH-UHFFFAOYSA-N -1 0 364.314 -0.155 20 0 FBADRM O=C(CCCNC(=O)C1CC1)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000831429399 603959962 /nfs/dbraw/zinc/95/99/62/603959962.db2.gz UJNGTRLOSKKVSM-UHFFFAOYSA-N -1 0 365.394 -0.150 20 0 FBADRM COC(=O)c1ccc(NC(=O)c2cn(C)c(=O)n(C)c2=O)cc1C(=O)[O-] ZINC000831430630 600946781 /nfs/dbraw/zinc/94/67/81/600946781.db2.gz GWFUGUACTIIMEZ-UHFFFAOYSA-N -1 0 361.310 -0.179 20 0 FBADRM O=C(CCN1CCCC1=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000831432157 603962666 /nfs/dbraw/zinc/96/26/66/603962666.db2.gz ICSDPOQOXQFUOY-UHFFFAOYSA-N -1 0 351.367 -0.444 20 0 FBADRM O=C([O-])N1CCO[C@H](CC(=O)NCCC(=O)NCc2cccnc2)C1 ZINC000831432183 604782045 /nfs/dbraw/zinc/78/20/45/604782045.db2.gz IGHSQLUFCBBOMF-CYBMUJFWSA-N -1 0 350.375 -0.027 20 0 FBADRM O=C([O-])N1CCO[C@@H](CC(=O)NCCC(=O)NCc2cccnc2)C1 ZINC000831432185 604781733 /nfs/dbraw/zinc/78/17/33/604781733.db2.gz IGHSQLUFCBBOMF-ZDUSSCGKSA-N -1 0 350.375 -0.027 20 0 FBADRM O=C(CCN1C(=O)CCC1=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000831433779 603959979 /nfs/dbraw/zinc/95/99/79/603959979.db2.gz UZJRWTONDQISIY-UHFFFAOYSA-N -1 0 365.350 -0.918 20 0 FBADRM O=C([O-])N1CCC(=O)[C@H](OC(=O)CCNS(=O)(=O)c2cccnc2)C1 ZINC000831433841 603736525 /nfs/dbraw/zinc/73/65/25/603736525.db2.gz WPCQHHMWYJMQIQ-GFCCVEGCSA-N -1 0 371.371 -0.385 20 0 FBADRM O=C([O-])N1CCC(=O)[C@@H](OC(=O)CCNS(=O)(=O)c2cccnc2)C1 ZINC000831433842 603736600 /nfs/dbraw/zinc/73/66/00/603736600.db2.gz WPCQHHMWYJMQIQ-LBPRGKRZSA-N -1 0 371.371 -0.385 20 0 FBADRM O=C([O-])NCc1nnnn1CC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000831434090 605178522 /nfs/dbraw/zinc/17/85/22/605178522.db2.gz YYNQWNGOSDMYJM-UHFFFAOYSA-N -1 0 358.314 -0.304 20 0 FBADRM O=C([O-])N(CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 ZINC000831441105 605259379 /nfs/dbraw/zinc/25/93/79/605259379.db2.gz DNPMLQZWFAJJML-UHFFFAOYSA-N -1 0 373.373 -0.472 20 0 FBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)CCn3ccccc3=O)n2)CC1 ZINC000831441664 603958050 /nfs/dbraw/zinc/95/80/50/603958050.db2.gz OODHSDQFPBHIIR-UHFFFAOYSA-N -1 0 361.362 -0.205 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1C ZINC000831444821 661146528 /nfs/dbraw/zinc/14/65/28/661146528.db2.gz QSKBSTDCCWWQJI-GFCCVEGCSA-N -1 0 370.383 -0.255 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1C ZINC000831444824 661146478 /nfs/dbraw/zinc/14/64/78/661146478.db2.gz QSKBSTDCCWWQJI-LBPRGKRZSA-N -1 0 370.383 -0.255 20 0 FBADRM O=C([O-])N(CC(=O)NCCS(=O)(=O)N1CCOCC1)c1ccccc1 ZINC000831445992 605285196 /nfs/dbraw/zinc/28/51/96/605285196.db2.gz LOTDDBBWSDWKES-UHFFFAOYSA-N -1 0 371.415 -0.051 20 0 FBADRM COC(=O)c1cccc(N2CC(=O)N(CC(=O)NCCC(=O)[O-])C2=O)c1 ZINC000831453154 601868585 /nfs/dbraw/zinc/86/85/85/601868585.db2.gz KOLBXOXRXWKSMR-UHFFFAOYSA-N -1 0 363.326 -0.167 20 0 FBADRM O=C(CN(CC1CC1)C(=O)[O-])N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000831456020 602956720 /nfs/dbraw/zinc/95/67/20/602956720.db2.gz RMLFYCGKKOVIMV-AWEZNQCLSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C(CN(CC1CC1)C(=O)[O-])N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000831456021 602956953 /nfs/dbraw/zinc/95/69/53/602956953.db2.gz RMLFYCGKKOVIMV-CQSZACIVSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C(CN(CC1CC1)C(=O)[O-])NCCS(=O)(=O)N1CCSCC1 ZINC000831459591 602882373 /nfs/dbraw/zinc/88/23/73/602882373.db2.gz CBZINHAFPNZFSB-UHFFFAOYSA-N -1 0 365.477 -0.129 20 0 FBADRM O=C(CCNC(=O)CN(CC1CC1)C(=O)[O-])N[C@@H]1CCS(=O)(=O)C1 ZINC000831460579 603330279 /nfs/dbraw/zinc/33/02/79/603330279.db2.gz PMFWCXCZXBXKIA-LLVKDONJSA-N -1 0 361.420 -0.814 20 0 FBADRM O=C(CCNC(=O)CN(CC1CC1)C(=O)[O-])N[C@H]1CCS(=O)(=O)C1 ZINC000831460580 603330325 /nfs/dbraw/zinc/33/03/25/603330325.db2.gz PMFWCXCZXBXKIA-NSHDSACASA-N -1 0 361.420 -0.814 20 0 FBADRM COC(=O)c1cn(CC(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)nn1 ZINC000831461627 601194982 /nfs/dbraw/zinc/19/49/82/601194982.db2.gz BCUYKHJXSYDVEE-UHFFFAOYSA-N -1 0 361.314 -0.482 20 0 FBADRM COC(=O)c1cn(CC(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])nn1 ZINC000831462296 601282331 /nfs/dbraw/zinc/28/23/31/601282331.db2.gz YOYQELKZWNSNNC-LLVKDONJSA-N -1 0 362.342 -0.170 20 0 FBADRM COC(=O)c1cn(CC(=O)NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])nn1 ZINC000831462297 601282302 /nfs/dbraw/zinc/28/23/02/601282302.db2.gz YOYQELKZWNSNNC-NSHDSACASA-N -1 0 362.342 -0.170 20 0 FBADRM COC(=O)c1cn(CC(=O)Nc2nnc(CCCC(=O)[O-])s2)nn1 ZINC000831462317 601288780 /nfs/dbraw/zinc/28/87/80/601288780.db2.gz ZDHZJNISNIFWRR-UHFFFAOYSA-N -1 0 354.348 -0.038 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCN3C(=O)OCC[C@@H]3C2)c1 ZINC000831465347 661146573 /nfs/dbraw/zinc/14/65/73/661146573.db2.gz MXZRXAXBMBBZNG-SECBINFHSA-N -1 0 355.372 -0.294 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCN3C(=O)OCC[C@H]3C2)c1 ZINC000831465351 661146427 /nfs/dbraw/zinc/14/64/27/661146427.db2.gz MXZRXAXBMBBZNG-VIFPVBQESA-N -1 0 355.372 -0.294 20 0 FBADRM COC(=O)c1nc2n(n1)CCCN2S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000831467196 600978969 /nfs/dbraw/zinc/97/89/69/600978969.db2.gz SUPLWZFZYQQSDL-UHFFFAOYSA-N -1 0 355.332 -0.310 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000831470242 601584243 /nfs/dbraw/zinc/58/42/43/601584243.db2.gz FOVZJLKLBNBLBG-SSDOTTSWSA-N -1 0 350.374 -0.206 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000831470244 601584392 /nfs/dbraw/zinc/58/43/92/601584392.db2.gz FOVZJLKLBNBLBG-ZETCQYMHSA-N -1 0 350.374 -0.206 20 0 FBADRM O=C([O-])N(CC(=O)NCC1(O)CCS(=O)(=O)CC1)C[C@H]1CCCO1 ZINC000831474211 603989469 /nfs/dbraw/zinc/98/94/69/603989469.db2.gz LZIFVDMFNMILKS-LLVKDONJSA-N -1 0 364.420 -0.799 20 0 FBADRM O=C([O-])N(CC(=O)NCC1(O)CCS(=O)(=O)CC1)C[C@@H]1CCCO1 ZINC000831474212 603989446 /nfs/dbraw/zinc/98/94/46/603989446.db2.gz LZIFVDMFNMILKS-NSHDSACASA-N -1 0 364.420 -0.799 20 0 FBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000831474401 603641697 /nfs/dbraw/zinc/64/16/97/603641697.db2.gz QBMKIWIJWDBBCH-GDLVEWKHSA-N -1 0 368.390 -0.360 20 0 FBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000831474402 603641364 /nfs/dbraw/zinc/64/13/64/603641364.db2.gz QBMKIWIJWDBBCH-MMPTUQATSA-N -1 0 368.390 -0.360 20 0 FBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000831474403 603641284 /nfs/dbraw/zinc/64/12/84/603641284.db2.gz QBMKIWIJWDBBCH-OHUAYANFSA-N -1 0 368.390 -0.360 20 0 FBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000831474404 603641526 /nfs/dbraw/zinc/64/15/26/603641526.db2.gz QBMKIWIJWDBBCH-XMZIXOGTSA-N -1 0 368.390 -0.360 20 0 FBADRM COC(=O)c1sc(NC(=O)CN2C[C@@H](O)[C@@H](O)C2)c(C(=O)[O-])c1C ZINC000831475810 601155408 /nfs/dbraw/zinc/15/54/08/601155408.db2.gz OYQFCPAMMKTQKD-OCAPTIKFSA-N -1 0 358.372 -0.483 20 0 FBADRM COC(=O)c1sc(NC(=O)CN2C[C@H](O)C[C@H](O)C2)c(C(=O)[O-])c1C ZINC000831476586 601557014 /nfs/dbraw/zinc/55/70/14/601557014.db2.gz YBPADXQTMATEBN-DTORHVGOSA-N -1 0 372.399 -0.093 20 0 FBADRM O=C(CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1)NC1CCCC1 ZINC000831478735 603918830 /nfs/dbraw/zinc/91/88/30/603918830.db2.gz FCGZMRFCYBQLLQ-UHFFFAOYSA-N -1 0 374.463 -0.645 20 0 FBADRM COC(=O)c1sc(S(=O)(=O)N=c2nc[nH]n2C)c(C(=O)[O-])c1C ZINC000831479039 602307936 /nfs/dbraw/zinc/30/79/36/602307936.db2.gz IDEYIZVQGVPKQW-UHFFFAOYSA-N -1 0 360.373 -0.107 20 0 FBADRM O=C(CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O)NC1CCOCC1 ZINC000831479047 603874135 /nfs/dbraw/zinc/87/41/35/603874135.db2.gz IANALEUNWXLDDX-UHFFFAOYSA-N -1 0 354.363 -0.654 20 0 FBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000831480126 603628093 /nfs/dbraw/zinc/62/80/93/603628093.db2.gz PANVMCQRZNKPLR-JTQLQIEISA-N -1 0 353.331 -0.284 20 0 FBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000831480128 603627898 /nfs/dbraw/zinc/62/78/98/603627898.db2.gz PANVMCQRZNKPLR-SNVBAGLBSA-N -1 0 353.331 -0.284 20 0 FBADRM O=C(CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1)NCC1CCC1 ZINC000831480461 604100135 /nfs/dbraw/zinc/10/01/35/604100135.db2.gz QKCSPQIUFZBGIC-UHFFFAOYSA-N -1 0 374.463 -0.788 20 0 FBADRM O=C(CN(C[C@H]1CCCO1)C(=O)[O-])OCCN1CCCS1(=O)=O ZINC000831481042 605551717 /nfs/dbraw/zinc/55/17/17/605551717.db2.gz UZIXDLGPSWCTPG-LLVKDONJSA-N -1 0 350.393 -0.276 20 0 FBADRM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])OCCN1CCCS1(=O)=O ZINC000831481043 605551619 /nfs/dbraw/zinc/55/16/19/605551619.db2.gz UZIXDLGPSWCTPG-NSHDSACASA-N -1 0 350.393 -0.276 20 0 FBADRM O=C(CN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O)NC(C1CC1)C1CC1 ZINC000831481345 605352415 /nfs/dbraw/zinc/35/24/15/605352415.db2.gz XSFCSMTWWDEBGZ-INIZCTEOSA-N -1 0 350.375 -0.035 20 0 FBADRM O=C(CN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O)NC(C1CC1)C1CC1 ZINC000831481346 605352631 /nfs/dbraw/zinc/35/26/31/605352631.db2.gz XSFCSMTWWDEBGZ-MRXNPFEDSA-N -1 0 350.375 -0.035 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000831484048 605490916 /nfs/dbraw/zinc/49/09/16/605490916.db2.gz ANTLIXSOCGUYEN-GFCCVEGCSA-N -1 0 355.391 -0.347 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000831484050 605490715 /nfs/dbraw/zinc/49/07/15/605490715.db2.gz ANTLIXSOCGUYEN-LBPRGKRZSA-N -1 0 355.391 -0.347 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000831484057 603791006 /nfs/dbraw/zinc/79/10/06/603791006.db2.gz AQGFQAMVUWLYAU-KBPBESRZSA-N -1 0 368.434 -0.744 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000831484062 603791077 /nfs/dbraw/zinc/79/10/77/603791077.db2.gz AQGFQAMVUWLYAU-KGLIPLIRSA-N -1 0 368.434 -0.744 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000831484066 603790674 /nfs/dbraw/zinc/79/06/74/603790674.db2.gz AQGFQAMVUWLYAU-UONOGXRCSA-N -1 0 368.434 -0.744 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000831484070 603791265 /nfs/dbraw/zinc/79/12/65/603791265.db2.gz AQGFQAMVUWLYAU-ZIAGYGMSSA-N -1 0 368.434 -0.744 20 0 FBADRM O=C(CN1CCCCCC1=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000831484096 603956632 /nfs/dbraw/zinc/95/66/32/603956632.db2.gz AYKABRVUKXXAOG-UHFFFAOYSA-N -1 0 365.394 -0.054 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000831484128 605144427 /nfs/dbraw/zinc/14/44/27/605144427.db2.gz CCAIEIKXVYFWCX-GFCCVEGCSA-N -1 0 366.418 -0.142 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000831484129 605144533 /nfs/dbraw/zinc/14/45/33/605144533.db2.gz CCAIEIKXVYFWCX-LBPRGKRZSA-N -1 0 366.418 -0.142 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NC[C@H](CO)Cc2ccc(F)cc2)C(=O)C1 ZINC000831484145 603738049 /nfs/dbraw/zinc/73/80/49/603738049.db2.gz CUORFDRTRJQVTN-CYBMUJFWSA-N -1 0 367.377 -0.085 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NC[C@@H](CO)Cc2ccc(F)cc2)C(=O)C1 ZINC000831484146 603738044 /nfs/dbraw/zinc/73/80/44/603738044.db2.gz CUORFDRTRJQVTN-ZDUSSCGKSA-N -1 0 367.377 -0.085 20 0 FBADRM O=C([O-])N1CC(CC(=O)N2CCN(CC(=O)Nc3nncs3)CC2)C1 ZINC000831484406 603786713 /nfs/dbraw/zinc/78/67/13/603786713.db2.gz GBUFWKKVEUONNH-UHFFFAOYSA-N -1 0 368.419 -0.379 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000831484412 604498638 /nfs/dbraw/zinc/49/86/38/604498638.db2.gz GIJJVJHSDIHWMM-KBPBESRZSA-N -1 0 368.434 -0.432 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000831484413 604498790 /nfs/dbraw/zinc/49/87/90/604498790.db2.gz GIJJVJHSDIHWMM-KGLIPLIRSA-N -1 0 368.434 -0.432 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000831484414 604498473 /nfs/dbraw/zinc/49/84/73/604498473.db2.gz GIJJVJHSDIHWMM-UONOGXRCSA-N -1 0 368.434 -0.432 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000831484415 604498701 /nfs/dbraw/zinc/49/87/01/604498701.db2.gz GIJJVJHSDIHWMM-ZIAGYGMSSA-N -1 0 368.434 -0.432 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000831484753 605064164 /nfs/dbraw/zinc/06/41/64/605064164.db2.gz KEISHSXFWOTLNR-CYBMUJFWSA-N -1 0 366.418 -0.142 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000831484754 605064123 /nfs/dbraw/zinc/06/41/23/605064123.db2.gz KEISHSXFWOTLNR-ZDUSSCGKSA-N -1 0 366.418 -0.142 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N[C@@H]2CCN(c3ncccc3F)C2)C(=O)C1 ZINC000831484919 604256092 /nfs/dbraw/zinc/25/60/92/604256092.db2.gz LNJPHKADZDQTPP-LLVKDONJSA-N -1 0 365.365 -0.262 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N[C@H]2CCN(c3ncccc3F)C2)C(=O)C1 ZINC000831484922 604255933 /nfs/dbraw/zinc/25/59/33/604255933.db2.gz LNJPHKADZDQTPP-NSHDSACASA-N -1 0 365.365 -0.262 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000831485005 605490909 /nfs/dbraw/zinc/49/09/09/605490909.db2.gz MGMWNIHLVJIPQM-ABAIWWIYSA-N -1 0 357.432 -0.021 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000831485012 605490573 /nfs/dbraw/zinc/49/05/73/605490573.db2.gz MGMWNIHLVJIPQM-IAQYHMDHSA-N -1 0 357.432 -0.021 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000831485014 605490543 /nfs/dbraw/zinc/49/05/43/605490543.db2.gz MGMWNIHLVJIPQM-NHYWBVRUSA-N -1 0 357.432 -0.021 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000831485016 605490580 /nfs/dbraw/zinc/49/05/80/605490580.db2.gz MGMWNIHLVJIPQM-XHDPSFHLSA-N -1 0 357.432 -0.021 20 0 FBADRM O=C(CN1CCCCC1=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000831485029 603960404 /nfs/dbraw/zinc/96/04/04/603960404.db2.gz MNXBZMWZSGSFHT-UHFFFAOYSA-N -1 0 351.367 -0.444 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000831485404 604855980 /nfs/dbraw/zinc/85/59/80/604855980.db2.gz RABHZNNHERHHTL-CYBMUJFWSA-N -1 0 366.418 -0.284 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000831485405 604855687 /nfs/dbraw/zinc/85/56/87/604855687.db2.gz RABHZNNHERHHTL-ZDUSSCGKSA-N -1 0 366.418 -0.284 20 0 FBADRM O=C(CN1CCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1)NC1CC1 ZINC000831485671 605244188 /nfs/dbraw/zinc/24/41/88/605244188.db2.gz UGCDHOFVKBOMTL-AWEZNQCLSA-N -1 0 368.434 -0.432 20 0 FBADRM O=C(CN1CCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1)NC1CC1 ZINC000831485673 605244198 /nfs/dbraw/zinc/24/41/98/605244198.db2.gz UGCDHOFVKBOMTL-CQSZACIVSA-N -1 0 368.434 -0.432 20 0 FBADRM O=C(CN1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1)NC1CC1 ZINC000831485985 604657031 /nfs/dbraw/zinc/65/70/31/604657031.db2.gz XIVPAWFUJIYKFN-CYBMUJFWSA-N -1 0 354.407 -0.822 20 0 FBADRM O=C(CN1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1)NC1CC1 ZINC000831485986 604657419 /nfs/dbraw/zinc/65/74/19/604657419.db2.gz XIVPAWFUJIYKFN-ZDUSSCGKSA-N -1 0 354.407 -0.822 20 0 FBADRM O=C(CN1CCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])CC1)NC1CC1 ZINC000831486054 605598156 /nfs/dbraw/zinc/59/81/56/605598156.db2.gz YQZUCOGEZPPANY-CYBMUJFWSA-N -1 0 370.475 -0.105 20 0 FBADRM O=C(CN1CCN(C(=O)C[C@H]2CSCCN2C(=O)[O-])CC1)NC1CC1 ZINC000831486061 605598243 /nfs/dbraw/zinc/59/82/43/605598243.db2.gz YQZUCOGEZPPANY-ZDUSSCGKSA-N -1 0 370.475 -0.105 20 0 FBADRM COC(C)(C)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000831487690 600923688 /nfs/dbraw/zinc/92/36/88/600923688.db2.gz KWCAGWQCFHULCK-UHFFFAOYSA-N -1 0 351.359 -0.019 20 0 FBADRM COC(C)(C)CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000831487747 600923779 /nfs/dbraw/zinc/92/37/79/600923779.db2.gz MIYFMCJCHOJRSR-UHFFFAOYSA-N -1 0 365.386 -0.090 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCc2cnn(CC(F)(F)F)c2)C(=O)C1 ZINC000831488286 604514801 /nfs/dbraw/zinc/51/48/01/604514801.db2.gz BYQVBSUIXXGGHX-UHFFFAOYSA-N -1 0 363.296 -0.116 20 0 FBADRM O=C([O-])N1CCN(CC(=O)Nc2cnc(Br)cn2)C(=O)C1 ZINC000831488418 603847900 /nfs/dbraw/zinc/84/79/00/603847900.db2.gz DXCKWQREXWPBAK-UHFFFAOYSA-N -1 0 358.152 0.000 20 0 FBADRM O=C([O-])N1CCN(CC(=O)NCc2cn(-c3ccccc3)nn2)C(=O)C1 ZINC000831488563 604230068 /nfs/dbraw/zinc/23/00/68/604230068.db2.gz HRQQJHNBSINAAQ-UHFFFAOYSA-N -1 0 358.358 -0.294 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)C1 ZINC000831488568 605290321 /nfs/dbraw/zinc/29/03/21/605290321.db2.gz HTIMJZKXEIHPKM-CYBMUJFWSA-N -1 0 374.357 -0.299 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)C1 ZINC000831488571 605290175 /nfs/dbraw/zinc/29/01/75/605290175.db2.gz HTIMJZKXEIHPKM-ZDUSSCGKSA-N -1 0 374.357 -0.299 20 0 FBADRM O=C([O-])N1CCN(CC(=O)Nc2ccc(N3CCCC3=O)cn2)C(=O)C1 ZINC000831488579 605717934 /nfs/dbraw/zinc/71/79/34/605717934.db2.gz HWDLBADTCHNNEE-UHFFFAOYSA-N -1 0 361.358 -0.031 20 0 FBADRM O=C([O-])N1CCN(CC(=O)OCCCc2nc3ncccn3n2)C(=O)C1 ZINC000831488610 605511634 /nfs/dbraw/zinc/51/16/34/605511634.db2.gz IJESMIFUEJBMFN-UHFFFAOYSA-N -1 0 362.346 -0.578 20 0 FBADRM O=C([O-])N1CCN(CC(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C(=O)C1 ZINC000831488613 604516329 /nfs/dbraw/zinc/51/63/29/604516329.db2.gz IMJDMUMQZBDBGS-UHFFFAOYSA-N -1 0 367.383 -0.223 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000831488615 603648348 /nfs/dbraw/zinc/64/83/48/603648348.db2.gz IOSWVTXLCLFHKU-GZMMTYOYSA-N -1 0 363.330 -0.564 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000831488619 603648004 /nfs/dbraw/zinc/64/80/04/603648004.db2.gz IOSWVTXLCLFHKU-KCJUWKMLSA-N -1 0 363.330 -0.564 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000831488621 603648046 /nfs/dbraw/zinc/64/80/46/603648046.db2.gz IOSWVTXLCLFHKU-KWQFWETISA-N -1 0 363.330 -0.564 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000831488623 603648041 /nfs/dbraw/zinc/64/80/41/603648041.db2.gz IOSWVTXLCLFHKU-LDYMZIIASA-N -1 0 363.330 -0.564 20 0 FBADRM O=C(CN1CCSC1=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000831489143 603962247 /nfs/dbraw/zinc/96/22/47/603962247.db2.gz OEEIPBFTWNNFTJ-UHFFFAOYSA-N -1 0 355.380 -0.288 20 0 FBADRM O=C([O-])N1CCN(CC(=O)OCc2nc(-c3ccccn3)no2)C(=O)C1 ZINC000831489231 603626761 /nfs/dbraw/zinc/62/67/61/603626761.db2.gz PTDJHCVBFYDZLC-UHFFFAOYSA-N -1 0 361.314 -0.003 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NCCNC(=O)NC1CCCCC1 ZINC000831489386 605868499 /nfs/dbraw/zinc/86/84/99/605868499.db2.gz SYCVNEBVRDYIKB-UHFFFAOYSA-N -1 0 369.422 -0.443 20 0 FBADRM O=C(CNC(=O)[C@H]1CN(C(=O)[O-])CCO1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000831489554 604687257 /nfs/dbraw/zinc/68/72/57/604687257.db2.gz UGOBEBCZQGMDJJ-LLVKDONJSA-N -1 0 363.330 -0.298 20 0 FBADRM O=C(CNC(=O)[C@@H]1CN(C(=O)[O-])CCO1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000831489558 604687187 /nfs/dbraw/zinc/68/71/87/604687187.db2.gz UGOBEBCZQGMDJJ-NSHDSACASA-N -1 0 363.330 -0.298 20 0 FBADRM O=C([O-])N1CCN(CC(=O)OCCNC(=O)c2cccnc2)C(=O)C1 ZINC000831489673 603586290 /nfs/dbraw/zinc/58/62/90/603586290.db2.gz WPUISBQDHRNALM-UHFFFAOYSA-N -1 0 350.331 -0.823 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)O[C@@H]1CCN(C2CCOCC2)C1=O ZINC000831489681 604228215 /nfs/dbraw/zinc/22/82/15/604228215.db2.gz WWXYNYGCNLUDKC-GFCCVEGCSA-N -1 0 369.374 -0.868 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)O[C@H]1CCN(C2CCOCC2)C1=O ZINC000831489682 604228058 /nfs/dbraw/zinc/22/80/58/604228058.db2.gz WWXYNYGCNLUDKC-LBPRGKRZSA-N -1 0 369.374 -0.868 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NCCn1c(=O)[nH]c2ccccc21 ZINC000831489892 603714280 /nfs/dbraw/zinc/71/42/80/603714280.db2.gz XXJCZVQYBNBOKU-UHFFFAOYSA-N -1 0 361.358 -0.320 20 0 FBADRM O=C(CN1CSCC1=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000831490066 603956603 /nfs/dbraw/zinc/95/66/03/603956603.db2.gz ZXDCSJYAUXCBDJ-UHFFFAOYSA-N -1 0 355.380 -0.924 20 0 FBADRM O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NC1CN(C(=O)[O-])C1 ZINC000831492335 604952193 /nfs/dbraw/zinc/95/21/93/604952193.db2.gz AUBGBMGVQROVIS-UHFFFAOYSA-N -1 0 355.372 -0.527 20 0 FBADRM O=C(CNC(=O)C[C@@H]1CSCCN1C(=O)[O-])NCCN1CCOCC1 ZINC000831492336 605432882 /nfs/dbraw/zinc/43/28/82/605432882.db2.gz AUGMJXZMYFSRIQ-GFCCVEGCSA-N -1 0 374.463 -0.964 20 0 FBADRM O=C(CNC(=O)C[C@H]1CSCCN1C(=O)[O-])NCCN1CCOCC1 ZINC000831492337 605432927 /nfs/dbraw/zinc/43/29/27/605432927.db2.gz AUGMJXZMYFSRIQ-LBPRGKRZSA-N -1 0 374.463 -0.964 20 0 FBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)CNC(=O)c3cccnc3)n2)CC1 ZINC000831492357 604266414 /nfs/dbraw/zinc/26/64/14/604266414.db2.gz BNSBGCLKNHCCGY-UHFFFAOYSA-N -1 0 374.361 -0.632 20 0 FBADRM O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000831492363 604364093 /nfs/dbraw/zinc/36/40/93/604364093.db2.gz BTJDOKVUVNRLOT-GFCCVEGCSA-N -1 0 369.399 -0.136 20 0 FBADRM O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)N[C@H]1CCN(C(=O)[O-])C1 ZINC000831492364 604364200 /nfs/dbraw/zinc/36/42/00/604364200.db2.gz BTJDOKVUVNRLOT-LBPRGKRZSA-N -1 0 369.399 -0.136 20 0 FBADRM O=C([O-])N1CCC(=O)[C@H](OC(=O)CNS(=O)(=O)c2ccccc2F)C1 ZINC000831492553 603628406 /nfs/dbraw/zinc/62/84/06/603628406.db2.gz FYRMIIYHGOZLBV-LLVKDONJSA-N -1 0 374.346 -0.031 20 0 FBADRM O=C([O-])N1CCC(=O)[C@@H](OC(=O)CNS(=O)(=O)c2ccccc2F)C1 ZINC000831492554 603628357 /nfs/dbraw/zinc/62/83/57/603628357.db2.gz FYRMIIYHGOZLBV-NSHDSACASA-N -1 0 374.346 -0.031 20 0 FBADRM O=C([O-])N(CC(=O)NCC(=O)NCCN1CCOCC1)c1ccccc1 ZINC000831492574 605715243 /nfs/dbraw/zinc/71/52/43/605715243.db2.gz GPHDUZFPRREJCM-UHFFFAOYSA-N -1 0 364.402 -0.264 20 0 FBADRM O=C([O-])N1CCC(=O)[C@H](OC(=O)CNS(=O)(=O)c2cccc(F)c2)C1 ZINC000831492616 603640745 /nfs/dbraw/zinc/64/07/45/603640745.db2.gz HYCAIHSDQSWGPL-GFCCVEGCSA-N -1 0 374.346 -0.031 20 0 FBADRM O=C([O-])N1CCC(=O)[C@@H](OC(=O)CNS(=O)(=O)c2cccc(F)c2)C1 ZINC000831492618 603640545 /nfs/dbraw/zinc/64/05/45/603640545.db2.gz HYCAIHSDQSWGPL-LBPRGKRZSA-N -1 0 374.346 -0.031 20 0 FBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)CNC(=O)c3ccccn3)n2)CC1 ZINC000831493166 603958106 /nfs/dbraw/zinc/95/81/06/603958106.db2.gz MQZCTEDAIOVXMJ-UHFFFAOYSA-N -1 0 374.361 -0.632 20 0 FBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)CNC(=O)c3ccccc3)n2)CC1 ZINC000831493884 603960222 /nfs/dbraw/zinc/96/02/22/603960222.db2.gz VKKJGPQZAHXHNS-UHFFFAOYSA-N -1 0 373.373 -0.027 20 0 FBADRM O=C(CNS(=O)(=O)c1cccs1)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000831494204 603740339 /nfs/dbraw/zinc/74/03/39/603740339.db2.gz ZEHVXTQXKFCRDO-SECBINFHSA-N -1 0 362.385 -0.109 20 0 FBADRM O=C(CNS(=O)(=O)c1cccs1)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000831494205 603740611 /nfs/dbraw/zinc/74/06/11/603740611.db2.gz ZEHVXTQXKFCRDO-VIFPVBQESA-N -1 0 362.385 -0.109 20 0 FBADRM O=C(COC(=O)[C@@H]1COCCN1C(=O)[O-])NC(=O)NCc1cccs1 ZINC000831497224 661146759 /nfs/dbraw/zinc/14/67/59/661146759.db2.gz AKNBWXQKIFQCIS-JTQLQIEISA-N -1 0 371.371 -0.004 20 0 FBADRM O=C(COC(=O)[C@H]1COCCN1C(=O)[O-])NC(=O)NCc1cccs1 ZINC000831497226 661146777 /nfs/dbraw/zinc/14/67/77/661146777.db2.gz AKNBWXQKIFQCIS-SNVBAGLBSA-N -1 0 371.371 -0.004 20 0 FBADRM O=C(COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)Nc1nnc([C@H]2CCCO2)o1 ZINC000831497337 605208376 /nfs/dbraw/zinc/20/83/76/605208376.db2.gz CEISCHFXCMDKJK-BDAKNGLRSA-N -1 0 370.318 -0.218 20 0 FBADRM O=C(COC(=O)[C@H]1CN(C(=O)[O-])CCO1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000831497339 605209520 /nfs/dbraw/zinc/20/95/20/605209520.db2.gz CEISCHFXCMDKJK-DTWKUNHWSA-N -1 0 370.318 -0.218 20 0 FBADRM O=C(COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000831497341 605209362 /nfs/dbraw/zinc/20/93/62/605209362.db2.gz CEISCHFXCMDKJK-IUCAKERBSA-N -1 0 370.318 -0.218 20 0 FBADRM O=C(COC(=O)[C@H]1CN(C(=O)[O-])CCO1)Nc1nnc([C@H]2CCCO2)o1 ZINC000831497343 605209779 /nfs/dbraw/zinc/20/97/79/605209779.db2.gz CEISCHFXCMDKJK-RKDXNWHRSA-N -1 0 370.318 -0.218 20 0 FBADRM O=C(COC(=O)[C@H]1CN(C(=O)[O-])CCO1)NCc1ccc2c(c1)OCO2 ZINC000831497619 605214368 /nfs/dbraw/zinc/21/43/68/605214368.db2.gz GFQMGFJHKFZMKX-CYBMUJFWSA-N -1 0 366.326 -0.047 20 0 FBADRM O=C(COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)NCc1ccc2c(c1)OCO2 ZINC000831497621 605214522 /nfs/dbraw/zinc/21/45/22/605214522.db2.gz GFQMGFJHKFZMKX-ZDUSSCGKSA-N -1 0 366.326 -0.047 20 0 FBADRM O=C(COC(=O)[C@H]1CN(C(=O)[O-])CCO1)NCCCN1CCCC1=O ZINC000831497649 605213089 /nfs/dbraw/zinc/21/30/89/605213089.db2.gz GXMYAICBUAVLRE-LLVKDONJSA-N -1 0 357.363 -0.963 20 0 FBADRM O=C(COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)NCCCN1CCCC1=O ZINC000831497650 605213049 /nfs/dbraw/zinc/21/30/49/605213049.db2.gz GXMYAICBUAVLRE-NSHDSACASA-N -1 0 357.363 -0.963 20 0 FBADRM O=C([O-])N1CC[C@@](F)(C(=O)OCC(=O)NCCCN2CCCC2=O)C1 ZINC000831497863 603799412 /nfs/dbraw/zinc/79/94/12/603799412.db2.gz JJDIRJGHJDGSKO-HNNXBMFYSA-N -1 0 359.354 -0.250 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)OCC(=O)NCCCN2CCCC2=O)C1 ZINC000831497865 603799298 /nfs/dbraw/zinc/79/92/98/603799298.db2.gz JJDIRJGHJDGSKO-OAHLLOKOSA-N -1 0 359.354 -0.250 20 0 FBADRM O=C(COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)NC(=O)NCC(F)(F)F ZINC000831497905 605217836 /nfs/dbraw/zinc/21/78/36/605217836.db2.gz JXQGRVGAXQWEBU-LURJTMIESA-N -1 0 357.241 -0.704 20 0 FBADRM O=C(COC(=O)[C@H]1CN(C(=O)[O-])CCO1)NC(=O)NCC(F)(F)F ZINC000831497907 605217976 /nfs/dbraw/zinc/21/79/76/605217976.db2.gz JXQGRVGAXQWEBU-ZCFIWIBFSA-N -1 0 357.241 -0.704 20 0 FBADRM O=C(COC(=O)[C@H]1COCCN1C(=O)[O-])NC1CCC2(CC1)OCCO2 ZINC000831497908 603902593 /nfs/dbraw/zinc/90/25/93/603902593.db2.gz JYANBNBLHKQRAR-GFCCVEGCSA-N -1 0 372.374 -0.290 20 0 FBADRM O=C(COC(=O)[C@@H]1COCCN1C(=O)[O-])NC1CCC2(CC1)OCCO2 ZINC000831497912 603902693 /nfs/dbraw/zinc/90/26/93/603902693.db2.gz JYANBNBLHKQRAR-LBPRGKRZSA-N -1 0 372.374 -0.290 20 0 FBADRM O=C(COC(=O)[C@@H]1COCCN1C(=O)[O-])NC(=O)NCc1ccco1 ZINC000831498139 603895812 /nfs/dbraw/zinc/89/58/12/603895812.db2.gz LRNFGKAJRXTWBW-JTQLQIEISA-N -1 0 355.303 -0.473 20 0 FBADRM O=C(COC(=O)[C@H]1COCCN1C(=O)[O-])NC(=O)NCc1ccco1 ZINC000831498141 603895519 /nfs/dbraw/zinc/89/55/19/603895519.db2.gz LRNFGKAJRXTWBW-SNVBAGLBSA-N -1 0 355.303 -0.473 20 0 FBADRM O=C(COC(=O)[C@H]1CN(C(=O)[O-])CCO1)NC1CCC2(CC1)OCCO2 ZINC000831498154 605214388 /nfs/dbraw/zinc/21/43/88/605214388.db2.gz LZTJOSHCKRZSEF-GFCCVEGCSA-N -1 0 372.374 -0.290 20 0 FBADRM O=C(COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)NC1CCC2(CC1)OCCO2 ZINC000831498156 605214495 /nfs/dbraw/zinc/21/44/95/605214495.db2.gz LZTJOSHCKRZSEF-LBPRGKRZSA-N -1 0 372.374 -0.290 20 0 FBADRM O=C(COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)NCC(=O)c1cccs1 ZINC000831498406 605200862 /nfs/dbraw/zinc/20/08/62/605200862.db2.gz NLBHKFOHBJCZRS-JTQLQIEISA-N -1 0 356.356 -0.031 20 0 FBADRM O=C(COC(=O)[C@H]1CN(C(=O)[O-])CCO1)NCC(=O)c1cccs1 ZINC000831498415 605200599 /nfs/dbraw/zinc/20/05/99/605200599.db2.gz NLBHKFOHBJCZRS-SNVBAGLBSA-N -1 0 356.356 -0.031 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)Nc1nnc(-c2ccco2)o1 ZINC000831498881 604272704 /nfs/dbraw/zinc/27/27/04/604272704.db2.gz PIRDBEJJSKOEAZ-HTQZYQBOSA-N -1 0 366.286 -0.076 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)Nc1nnc(-c2ccco2)o1 ZINC000831498883 604272695 /nfs/dbraw/zinc/27/26/95/604272695.db2.gz PIRDBEJJSKOEAZ-JGVFFNPUSA-N -1 0 366.286 -0.076 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)Nc1nnc(-c2ccco2)o1 ZINC000831498885 604272571 /nfs/dbraw/zinc/27/25/71/604272571.db2.gz PIRDBEJJSKOEAZ-SFYZADRCSA-N -1 0 366.286 -0.076 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)Nc1nnc(-c2ccco2)o1 ZINC000831498887 604272743 /nfs/dbraw/zinc/27/27/43/604272743.db2.gz PIRDBEJJSKOEAZ-YUMQZZPRSA-N -1 0 366.286 -0.076 20 0 FBADRM O=C(COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)NC(=O)NCc1ccco1 ZINC000831499636 605200540 /nfs/dbraw/zinc/20/05/40/605200540.db2.gz SSBUGDBJHRYFNQ-JTQLQIEISA-N -1 0 355.303 -0.473 20 0 FBADRM O=C(COC(=O)[C@H]1CN(C(=O)[O-])CCO1)NC(=O)NCc1ccco1 ZINC000831499637 605200483 /nfs/dbraw/zinc/20/04/83/605200483.db2.gz SSBUGDBJHRYFNQ-SNVBAGLBSA-N -1 0 355.303 -0.473 20 0 FBADRM O=C(COC(=O)[C@@H]1COCCN1C(=O)[O-])NC(=O)NCC(F)(F)F ZINC000831499654 603902280 /nfs/dbraw/zinc/90/22/80/603902280.db2.gz TZDWLSZBPKWKRY-LURJTMIESA-N -1 0 357.241 -0.704 20 0 FBADRM O=C(COC(=O)[C@H]1COCCN1C(=O)[O-])NC(=O)NCC(F)(F)F ZINC000831499655 603902497 /nfs/dbraw/zinc/90/24/97/603902497.db2.gz TZDWLSZBPKWKRY-ZCFIWIBFSA-N -1 0 357.241 -0.704 20 0 FBADRM O=C(COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)NC(=O)NCc1cccs1 ZINC000831499660 605216751 /nfs/dbraw/zinc/21/67/51/605216751.db2.gz UAXRZHXIHRLMHG-JTQLQIEISA-N -1 0 371.371 -0.004 20 0 FBADRM O=C(COC(=O)[C@H]1CN(C(=O)[O-])CCO1)NC(=O)NCc1cccs1 ZINC000831499661 605216745 /nfs/dbraw/zinc/21/67/45/605216745.db2.gz UAXRZHXIHRLMHG-SNVBAGLBSA-N -1 0 371.371 -0.004 20 0 FBADRM O=C(COC(=O)[C@H]1CN(C(=O)[O-])CCO1)NCC(=O)c1ccccc1 ZINC000831499670 605216525 /nfs/dbraw/zinc/21/65/25/605216525.db2.gz UELNXXJKQBISSP-CYBMUJFWSA-N -1 0 350.327 -0.093 20 0 FBADRM O=C(COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)NCC(=O)c1ccccc1 ZINC000831499671 605216653 /nfs/dbraw/zinc/21/66/53/605216653.db2.gz UELNXXJKQBISSP-ZDUSSCGKSA-N -1 0 350.327 -0.093 20 0 FBADRM O=C(COC(=O)[C@H]1COCCN1C(=O)[O-])NC(=O)NCc1ccccc1 ZINC000831500278 603910658 /nfs/dbraw/zinc/91/06/58/603910658.db2.gz VXFQVZFJRHECQY-GFCCVEGCSA-N -1 0 365.342 -0.066 20 0 FBADRM O=C(COC(=O)[C@@H]1COCCN1C(=O)[O-])NC(=O)NCc1ccccc1 ZINC000831500281 603910878 /nfs/dbraw/zinc/91/08/78/603910878.db2.gz VXFQVZFJRHECQY-LBPRGKRZSA-N -1 0 365.342 -0.066 20 0 FBADRM O=C(COC(=O)[C@H]1CN(C(=O)[O-])CCO1)NC(=O)NCc1ccccc1 ZINC000831500861 605217805 /nfs/dbraw/zinc/21/78/05/605217805.db2.gz YWZQFROMOSLASX-GFCCVEGCSA-N -1 0 365.342 -0.066 20 0 FBADRM O=C(COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)NC(=O)NCc1ccccc1 ZINC000831500862 605218246 /nfs/dbraw/zinc/21/82/46/605218246.db2.gz YWZQFROMOSLASX-LBPRGKRZSA-N -1 0 365.342 -0.066 20 0 FBADRM O=C(COC(=O)[C@H]1COCCN1C(=O)[O-])NCC(=O)c1cccs1 ZINC000831502804 603908370 /nfs/dbraw/zinc/90/83/70/603908370.db2.gz CNGLQZXHMQFJAJ-SECBINFHSA-N -1 0 356.356 -0.031 20 0 FBADRM O=C(COC(=O)[C@@H]1COCCN1C(=O)[O-])NCC(=O)c1cccs1 ZINC000831502805 603907788 /nfs/dbraw/zinc/90/77/88/603907788.db2.gz CNGLQZXHMQFJAJ-VIFPVBQESA-N -1 0 356.356 -0.031 20 0 FBADRM O=C(COC(=O)[C@H]1COCCN1C(=O)[O-])NCC(=O)c1ccccc1 ZINC000831503113 603906417 /nfs/dbraw/zinc/90/64/17/603906417.db2.gz IOBXTYDLAKRNQU-GFCCVEGCSA-N -1 0 350.327 -0.093 20 0 FBADRM O=C(COC(=O)[C@@H]1COCCN1C(=O)[O-])NCC(=O)c1ccccc1 ZINC000831503115 603906399 /nfs/dbraw/zinc/90/63/99/603906399.db2.gz IOBXTYDLAKRNQU-LBPRGKRZSA-N -1 0 350.327 -0.093 20 0 FBADRM O=C(COC(=O)[C@H]1COCCN1C(=O)[O-])NCCCN1CCCC1=O ZINC000831503966 603910674 /nfs/dbraw/zinc/91/06/74/603910674.db2.gz QXZYFEAJIAQTPG-LLVKDONJSA-N -1 0 357.363 -0.963 20 0 FBADRM O=C(COC(=O)[C@@H]1COCCN1C(=O)[O-])NCCCN1CCCC1=O ZINC000831503967 603911072 /nfs/dbraw/zinc/91/10/72/603911072.db2.gz QXZYFEAJIAQTPG-NSHDSACASA-N -1 0 357.363 -0.963 20 0 FBADRM O=C(COC(=O)[C@H]1COCCN1C(=O)[O-])Nc1nnc([C@@H]2CCCO2)o1 ZINC000831504500 603902562 /nfs/dbraw/zinc/90/25/62/603902562.db2.gz XNPUNUMWKPOEGF-BDAKNGLRSA-N -1 0 370.318 -0.218 20 0 FBADRM O=C(COC(=O)[C@@H]1COCCN1C(=O)[O-])Nc1nnc([C@H]2CCCO2)o1 ZINC000831504502 603902679 /nfs/dbraw/zinc/90/26/79/603902679.db2.gz XNPUNUMWKPOEGF-DTWKUNHWSA-N -1 0 370.318 -0.218 20 0 FBADRM O=C(COC(=O)[C@@H]1COCCN1C(=O)[O-])Nc1nnc([C@@H]2CCCO2)o1 ZINC000831504504 603902649 /nfs/dbraw/zinc/90/26/49/603902649.db2.gz XNPUNUMWKPOEGF-IUCAKERBSA-N -1 0 370.318 -0.218 20 0 FBADRM O=C(COC(=O)[C@H]1COCCN1C(=O)[O-])Nc1nnc([C@H]2CCCO2)o1 ZINC000831504507 603902699 /nfs/dbraw/zinc/90/26/99/603902699.db2.gz XNPUNUMWKPOEGF-RKDXNWHRSA-N -1 0 370.318 -0.218 20 0 FBADRM O=C(COC(=O)[C@H]1COCCN1C(=O)[O-])NCc1ccc2c(c1)OCO2 ZINC000831504725 603901104 /nfs/dbraw/zinc/90/11/04/603901104.db2.gz ZLAIDPYVOILVHK-LLVKDONJSA-N -1 0 366.326 -0.047 20 0 FBADRM O=C(COC(=O)[C@@H]1COCCN1C(=O)[O-])NCc1ccc2c(c1)OCO2 ZINC000831504726 603901009 /nfs/dbraw/zinc/90/10/09/603901009.db2.gz ZLAIDPYVOILVHK-NSHDSACASA-N -1 0 366.326 -0.047 20 0 FBADRM CO[C@@H](C)c1noc(CN2CCCN([C@H](C)C(=O)NCC(=O)[O-])CC2)n1 ZINC000831505692 601425200 /nfs/dbraw/zinc/42/52/00/601425200.db2.gz SSCCEEPIBXDKSJ-NEPJUHHUSA-N -1 0 369.422 -0.126 20 0 FBADRM CO[C@H](C)c1noc(CN2CCCN([C@@H](C)C(=O)NCC(=O)[O-])CC2)n1 ZINC000831505703 601425048 /nfs/dbraw/zinc/42/50/48/601425048.db2.gz SSCCEEPIBXDKSJ-NWDGAFQWSA-N -1 0 369.422 -0.126 20 0 FBADRM CO[C@@H](C)c1noc(CN2CCCN([C@@H](C)C(=O)NCC(=O)[O-])CC2)n1 ZINC000831505705 601425253 /nfs/dbraw/zinc/42/52/53/601425253.db2.gz SSCCEEPIBXDKSJ-RYUDHWBXSA-N -1 0 369.422 -0.126 20 0 FBADRM CO[C@H](C)c1noc(CN2CCCN([C@H](C)C(=O)NCC(=O)[O-])CC2)n1 ZINC000831505706 601425221 /nfs/dbraw/zinc/42/52/21/601425221.db2.gz SSCCEEPIBXDKSJ-VXGBXAGGSA-N -1 0 369.422 -0.126 20 0 FBADRM CO[C@H](C)c1noc(CN2CCCN(CC(=O)NCCC(=O)[O-])CC2)n1 ZINC000831506211 601425120 /nfs/dbraw/zinc/42/51/20/601425120.db2.gz YIKSGMXPJQHXHE-GFCCVEGCSA-N -1 0 369.422 -0.124 20 0 FBADRM CO[C@@H](C)c1noc(CN2CCCN(CC(=O)NCCC(=O)[O-])CC2)n1 ZINC000831506213 601425563 /nfs/dbraw/zinc/42/55/63/601425563.db2.gz YIKSGMXPJQHXHE-LBPRGKRZSA-N -1 0 369.422 -0.124 20 0 FBADRM O=C(COC(=O)COC1CN(C(=O)[O-])C1)NC(=O)NCc1ccccc1 ZINC000831507247 603448348 /nfs/dbraw/zinc/44/83/48/603448348.db2.gz DQIBMRQKAJHQAA-UHFFFAOYSA-N -1 0 365.342 -0.066 20 0 FBADRM O=C(COC(=O)COC1CN(C(=O)[O-])C1)NC1CCC2(CC1)OCCO2 ZINC000831507277 603449732 /nfs/dbraw/zinc/44/97/32/603449732.db2.gz FYBITEWZPBHMDA-UHFFFAOYSA-N -1 0 372.374 -0.290 20 0 FBADRM O=C(COC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)NCC(=O)N1CCCC1 ZINC000831507359 605224059 /nfs/dbraw/zinc/22/40/59/605224059.db2.gz IVGXEPGLSSQPMD-LLVKDONJSA-N -1 0 357.363 -0.963 20 0 FBADRM O=C(COC(=O)C[C@H]1CN(C(=O)[O-])CCO1)NCC(=O)N1CCCC1 ZINC000831507360 605223847 /nfs/dbraw/zinc/22/38/47/605223847.db2.gz IVGXEPGLSSQPMD-NSHDSACASA-N -1 0 357.363 -0.963 20 0 FBADRM O=C(COC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)NCC(=O)N1CCCC1 ZINC000831507363 605342516 /nfs/dbraw/zinc/34/25/16/605342516.db2.gz IWXAUBYCBZLPPC-GFCCVEGCSA-N -1 0 371.390 -0.573 20 0 FBADRM O=C(COC(=O)CO[C@H]1CCCN(C(=O)[O-])C1)NCC(=O)N1CCCC1 ZINC000831507364 605341971 /nfs/dbraw/zinc/34/19/71/605341971.db2.gz IWXAUBYCBZLPPC-LBPRGKRZSA-N -1 0 371.390 -0.573 20 0 FBADRM O=C(COC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)NC(=O)NCC(F)(F)F ZINC000831507375 605231240 /nfs/dbraw/zinc/23/12/40/605231240.db2.gz JEQHLRADKIFJGK-SSDOTTSWSA-N -1 0 371.268 -0.313 20 0 FBADRM O=C(COC(=O)C[C@H]1CN(C(=O)[O-])CCO1)NC(=O)NCC(F)(F)F ZINC000831507376 605231345 /nfs/dbraw/zinc/23/13/45/605231345.db2.gz JEQHLRADKIFJGK-ZETCQYMHSA-N -1 0 371.268 -0.313 20 0 FBADRM O=C(COC(=O)COC1CN(C(=O)[O-])C1)NC(=O)NCc1cccs1 ZINC000831507431 603449841 /nfs/dbraw/zinc/44/98/41/603449841.db2.gz KZCKANIPLODIRF-UHFFFAOYSA-N -1 0 371.371 -0.004 20 0 FBADRM O=C(COC(=O)C[C@@H]1CSCCN1C(=O)[O-])NCC(=O)N1CCCC1 ZINC000831507512 605818807 /nfs/dbraw/zinc/81/88/07/605818807.db2.gz MNIBAMFKZNWCAG-LLVKDONJSA-N -1 0 373.431 -0.246 20 0 FBADRM O=C(COC(=O)C[C@H]1CSCCN1C(=O)[O-])NCC(=O)N1CCCC1 ZINC000831507513 605818683 /nfs/dbraw/zinc/81/86/83/605818683.db2.gz MNIBAMFKZNWCAG-NSHDSACASA-N -1 0 373.431 -0.246 20 0 FBADRM O=C(COC(=O)COC1CN(C(=O)[O-])C1)NC(=O)NCc1ccco1 ZINC000831507750 603448367 /nfs/dbraw/zinc/44/83/67/603448367.db2.gz QGNZHWMKQSJWKB-UHFFFAOYSA-N -1 0 355.303 -0.473 20 0 FBADRM O=C(COC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)NC(=O)NCc1ccco1 ZINC000831507775 605222407 /nfs/dbraw/zinc/22/24/07/605222407.db2.gz QZSCVRHTQLYQKH-LLVKDONJSA-N -1 0 369.330 -0.083 20 0 FBADRM O=C(COC(=O)C[C@H]1CN(C(=O)[O-])CCO1)NC(=O)NCc1ccco1 ZINC000831507777 605222353 /nfs/dbraw/zinc/22/23/53/605222353.db2.gz QZSCVRHTQLYQKH-NSHDSACASA-N -1 0 369.330 -0.083 20 0 FBADRM O=C(COC(=O)COC1CN(C(=O)[O-])C1)NCc1ccc2c(c1)OCO2 ZINC000831508262 603443895 /nfs/dbraw/zinc/44/38/95/603443895.db2.gz YZKGHPRPZUWVKS-UHFFFAOYSA-N -1 0 366.326 -0.047 20 0 FBADRM O=C(COC(=O)COC1CN(C(=O)[O-])C1)Nc1nnc([C@H]2CCCO2)o1 ZINC000831508263 603449816 /nfs/dbraw/zinc/44/98/16/603449816.db2.gz ZBGJCGKEPJJDTM-SECBINFHSA-N -1 0 370.318 -0.218 20 0 FBADRM O=C(COC(=O)COC1CN(C(=O)[O-])C1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000831508264 603449765 /nfs/dbraw/zinc/44/97/65/603449765.db2.gz ZBGJCGKEPJJDTM-VIFPVBQESA-N -1 0 370.318 -0.218 20 0 FBADRM O=C([O-])N1CC(OCC(=O)OCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000831508277 603446502 /nfs/dbraw/zinc/44/65/02/603446502.db2.gz ZOYUFEKZRZJCLY-UHFFFAOYSA-N -1 0 357.241 -0.704 20 0 FBADRM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000831512703 605374780 /nfs/dbraw/zinc/37/47/80/605374780.db2.gz GTZNITKJDGGSFF-GLKRBJQHSA-N -1 0 368.390 -0.360 20 0 FBADRM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000831512704 605375282 /nfs/dbraw/zinc/37/52/82/605375282.db2.gz GTZNITKJDGGSFF-LYOVBCGYSA-N -1 0 368.390 -0.360 20 0 FBADRM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000831512705 605375057 /nfs/dbraw/zinc/37/50/57/605375057.db2.gz GTZNITKJDGGSFF-USBNGQNGSA-N -1 0 368.390 -0.360 20 0 FBADRM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000831512706 605375157 /nfs/dbraw/zinc/37/51/57/605375157.db2.gz GTZNITKJDGGSFF-UVWXRNBGSA-N -1 0 368.390 -0.360 20 0 FBADRM O=C([O-])N1CCC[C@@H](OCC(=O)NCC2(O)CCS(=O)(=O)CC2)C1 ZINC000831513030 605359181 /nfs/dbraw/zinc/35/91/81/605359181.db2.gz MMRHCPFOURMQEF-LLVKDONJSA-N -1 0 364.420 -0.799 20 0 FBADRM O=C([O-])N1CCC[C@H](OCC(=O)NCC2(O)CCS(=O)(=O)CC2)C1 ZINC000831513031 605359151 /nfs/dbraw/zinc/35/91/51/605359151.db2.gz MMRHCPFOURMQEF-NSHDSACASA-N -1 0 364.420 -0.799 20 0 FBADRM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)NCCCN1CCCS1(=O)=O ZINC000831513994 605290300 /nfs/dbraw/zinc/29/03/00/605290300.db2.gz VFWQAAGLHVLOEM-GFCCVEGCSA-N -1 0 363.436 -0.313 20 0 FBADRM O=C(CO[C@H]1CCCN(C(=O)[O-])C1)NCCCN1CCCS1(=O)=O ZINC000831514114 605290083 /nfs/dbraw/zinc/29/00/83/605290083.db2.gz VFWQAAGLHVLOEM-LBPRGKRZSA-N -1 0 363.436 -0.313 20 0 FBADRM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)OCCN1CCCS1(=O)=O ZINC000831524373 605553642 /nfs/dbraw/zinc/55/36/42/605553642.db2.gz QXOUAEAZMUTAKC-LLVKDONJSA-N -1 0 350.393 -0.276 20 0 FBADRM O=C(CO[C@H]1CCCN(C(=O)[O-])C1)OCCN1CCCS1(=O)=O ZINC000831524374 605553725 /nfs/dbraw/zinc/55/37/25/605553725.db2.gz QXOUAEAZMUTAKC-NSHDSACASA-N -1 0 350.393 -0.276 20 0 FBADRM O=C(COC1CCOCC1)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000831529076 603958057 /nfs/dbraw/zinc/95/80/57/603958057.db2.gz FIZYGIOAZGZYBF-UHFFFAOYSA-N -1 0 354.367 -0.261 20 0 FBADRM O=C(COC1CN(C(=O)[O-])C1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000831529087 603963371 /nfs/dbraw/zinc/96/33/71/603963371.db2.gz FOUXFPPNVVRGJW-UHFFFAOYSA-N -1 0 361.420 -0.562 20 0 FBADRM O=C(CNC(=O)COC1CN(C(=O)[O-])C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000831529627 603973882 /nfs/dbraw/zinc/97/38/82/603973882.db2.gz OGLKBUHDLXAVDU-UHFFFAOYSA-N -1 0 363.330 -0.298 20 0 FBADRM O=C([O-])N1CC(OCC(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)C1 ZINC000831529727 603472909 /nfs/dbraw/zinc/47/29/09/603472909.db2.gz QVPKGPRRKQZEKV-UHFFFAOYSA-N -1 0 374.357 -0.299 20 0 FBADRM O=C(COC1CN(C(=O)[O-])C1)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000831529889 603749338 /nfs/dbraw/zinc/74/93/38/603749338.db2.gz SQEKQTPWVLMCKL-HNNXBMFYSA-N -1 0 359.448 -0.311 20 0 FBADRM O=C(COC1CN(C(=O)[O-])C1)NC[C@]1(N2CCOCC2)CCSC1 ZINC000831529890 603749726 /nfs/dbraw/zinc/74/97/26/603749726.db2.gz SQEKQTPWVLMCKL-OAHLLOKOSA-N -1 0 359.448 -0.311 20 0 FBADRM O=C([O-])N1CC(OCC(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000831530146 603749236 /nfs/dbraw/zinc/74/92/36/603749236.db2.gz VULMWMHWNNHNSI-JTQLQIEISA-N -1 0 368.342 -0.350 20 0 FBADRM O=C([O-])N1CC(OCC(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000831530149 603749309 /nfs/dbraw/zinc/74/93/09/603749309.db2.gz VULMWMHWNNHNSI-SNVBAGLBSA-N -1 0 368.342 -0.350 20 0 FBADRM O=C([O-])N1CC(OCC(=O)NCc2cccnc2N2CCOCC2)C1 ZINC000831533052 603746404 /nfs/dbraw/zinc/74/64/04/603746404.db2.gz BHMSBUXLHXNTRA-UHFFFAOYSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C(COC1CN(C(=O)[O-])C1)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000831533185 603974637 /nfs/dbraw/zinc/97/46/37/603974637.db2.gz FDFMIZGKJHXKJM-UHFFFAOYSA-N -1 0 368.390 -0.264 20 0 FBADRM O=C([O-])N1CC(OCC(=O)NCc2ccc(N3CCOCC3)nc2)C1 ZINC000831533293 603972292 /nfs/dbraw/zinc/97/22/92/603972292.db2.gz HWOAYBVKYSNBSR-UHFFFAOYSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C(COC1CN(C(=O)[O-])C1)NCCNS(=O)(=O)c1ccccc1 ZINC000831533344 603974545 /nfs/dbraw/zinc/97/45/45/603974545.db2.gz JKMLXPGTRLZFCK-UHFFFAOYSA-N -1 0 357.388 -0.540 20 0 FBADRM O=C(COC1CN(C(=O)[O-])C1)NCCNS(=O)(=O)Cc1ccccc1 ZINC000831534083 603977808 /nfs/dbraw/zinc/97/78/08/603977808.db2.gz UOACVSMJJSTKRS-UHFFFAOYSA-N -1 0 371.415 -0.399 20 0 FBADRM O=C([O-])N1CC(OCC(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000831534177 603747915 /nfs/dbraw/zinc/74/79/15/603747915.db2.gz VNPUZHHDQKFKGW-UHFFFAOYSA-N -1 0 364.406 -0.906 20 0 FBADRM O=C(COC1CN(C(=O)[O-])C1)NCCCn1nc2n(c1=O)CCCC2 ZINC000831534363 603748037 /nfs/dbraw/zinc/74/80/37/603748037.db2.gz XUKYXPMVWVXYKN-UHFFFAOYSA-N -1 0 353.379 -0.734 20 0 FBADRM O=C([O-])N1CC(OCC(=O)NCCNC(=O)Cc2cccc(F)c2)C1 ZINC000831534392 603992413 /nfs/dbraw/zinc/99/24/13/603992413.db2.gz YTUFKYQMBJBCJP-UHFFFAOYSA-N -1 0 353.350 -0.021 20 0 FBADRM O=C(COC1CN(C(=O)[O-])C1)NCCS(=O)(=O)NCc1ccccc1 ZINC000831534406 603977840 /nfs/dbraw/zinc/97/78/40/603977840.db2.gz YVDRAIYCCJSSIF-UHFFFAOYSA-N -1 0 371.415 -0.399 20 0 FBADRM COCC(=O)N1CCN(C(=O)C(=O)Nc2sccc2C(=O)[O-])CC1 ZINC000831536613 600874475 /nfs/dbraw/zinc/87/44/75/600874475.db2.gz GGAIDLODGMWLJI-UHFFFAOYSA-N -1 0 355.372 -0.298 20 0 FBADRM COCC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)CC1 ZINC000831536647 601160164 /nfs/dbraw/zinc/16/01/64/601160164.db2.gz HNBVPUFUNXCVJC-UHFFFAOYSA-N -1 0 363.370 -0.051 20 0 FBADRM COCC(=O)N1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000831537049 604497000 /nfs/dbraw/zinc/49/70/00/604497000.db2.gz SHYONAGZOABQSJ-UHFFFAOYSA-N -1 0 355.372 -0.298 20 0 FBADRM COCC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000831537283 602403190 /nfs/dbraw/zinc/40/31/90/602403190.db2.gz XUNXEKSTZOWOHO-UHFFFAOYSA-N -1 0 367.333 -0.220 20 0 FBADRM O=C([O-])N1CC(OCC(=O)NCc2ccnc(N3CCOCC3)c2)C1 ZINC000831537972 603976082 /nfs/dbraw/zinc/97/60/82/603976082.db2.gz RAPLRCNVBTWAGS-UHFFFAOYSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C([O-])N1CC(OCC(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000831541852 604006245 /nfs/dbraw/zinc/00/62/45/604006245.db2.gz FSCSZHGLHKDCSB-UHFFFAOYSA-N -1 0 353.379 -0.467 20 0 FBADRM O=C([O-])N1CC(OCC(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)C1 ZINC000831541853 604022439 /nfs/dbraw/zinc/02/24/39/604022439.db2.gz FTBLQFNMMKIJAF-SECBINFHSA-N -1 0 358.376 -0.440 20 0 FBADRM O=C([O-])N1CC(OCC(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)C1 ZINC000831541854 604022792 /nfs/dbraw/zinc/02/27/92/604022792.db2.gz FTBLQFNMMKIJAF-VIFPVBQESA-N -1 0 358.376 -0.440 20 0 FBADRM O=C([O-])N1CC(OCC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000831541935 604017118 /nfs/dbraw/zinc/01/71/18/604017118.db2.gz IWBDULSRVLUUJB-UHFFFAOYSA-N -1 0 367.362 -0.941 20 0 FBADRM O=C([O-])N1CC(OCC(=O)OCCNS(=O)(=O)c2ccccc2)C1 ZINC000831542186 603443529 /nfs/dbraw/zinc/44/35/29/603443529.db2.gz PUFYSMAOFDIGRQ-UHFFFAOYSA-N -1 0 358.372 -0.113 20 0 FBADRM O=C([O-])N1CC(OCC(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000831542204 603753746 /nfs/dbraw/zinc/75/37/46/603753746.db2.gz QMEKEKCZWQJVPV-UHFFFAOYSA-N -1 0 353.379 -0.467 20 0 FBADRM O=C(COC1CN(C(=O)[O-])C1)OCC(=O)N1CCC2(CC1)OCCO2 ZINC000831542210 603449164 /nfs/dbraw/zinc/44/91/64/603449164.db2.gz QSFKIJWRZQLKBS-UHFFFAOYSA-N -1 0 358.347 -0.726 20 0 FBADRM O=C(COC1CN(C(=O)[O-])C1)OCCN1C(=O)NC2(CCCC2)C1=O ZINC000831542312 603444934 /nfs/dbraw/zinc/44/49/34/603444934.db2.gz URLPQCJCSSZRAD-UHFFFAOYSA-N -1 0 355.347 -0.227 20 0 FBADRM O=C([O-])N1CC(OCC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000831542315 604011531 /nfs/dbraw/zinc/01/15/31/604011531.db2.gz URQFPVCIDIYLFC-UHFFFAOYSA-N -1 0 367.362 -0.941 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000831544766 601299558 /nfs/dbraw/zinc/29/95/58/601299558.db2.gz HRSOZJANRWOQTC-CXAGYDPISA-N -1 0 371.434 -0.837 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000831544768 601299679 /nfs/dbraw/zinc/29/96/79/601299679.db2.gz HRSOZJANRWOQTC-DYVFJYSZSA-N -1 0 371.434 -0.837 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000831544769 601299749 /nfs/dbraw/zinc/29/97/49/601299749.db2.gz HRSOZJANRWOQTC-GUYCJALGSA-N -1 0 371.434 -0.837 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000831544770 601299390 /nfs/dbraw/zinc/29/93/90/601299390.db2.gz HRSOZJANRWOQTC-SUMWQHHRSA-N -1 0 371.434 -0.837 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000831545107 604303108 /nfs/dbraw/zinc/30/31/08/604303108.db2.gz QKXDGYGJTILKDT-HZMBPMFUSA-N -1 0 351.421 -0.035 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000831545108 604303496 /nfs/dbraw/zinc/30/34/96/604303496.db2.gz QKXDGYGJTILKDT-IINYFYTJSA-N -1 0 351.421 -0.035 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000831545109 604303709 /nfs/dbraw/zinc/30/37/09/604303709.db2.gz QKXDGYGJTILKDT-QMTHXVAHSA-N -1 0 351.421 -0.035 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000831545110 604303881 /nfs/dbraw/zinc/30/38/81/604303881.db2.gz QKXDGYGJTILKDT-YGRLFVJLSA-N -1 0 351.421 -0.035 20 0 FBADRM O=C(COC[C@@H]1CCCO1)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000831545189 603960080 /nfs/dbraw/zinc/96/00/80/603960080.db2.gz ITPIQBGCTIAINT-JTQLQIEISA-N -1 0 354.367 -0.261 20 0 FBADRM O=C(COC[C@H]1CCCO1)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000831545190 603960100 /nfs/dbraw/zinc/96/01/00/603960100.db2.gz ITPIQBGCTIAINT-SNVBAGLBSA-N -1 0 354.367 -0.261 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000831545316 601688380 /nfs/dbraw/zinc/68/83/80/601688380.db2.gz ULPWCBMTKXPSCS-NOZJJQNGSA-N -1 0 362.408 -0.917 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000831545317 601688563 /nfs/dbraw/zinc/68/85/63/601688563.db2.gz ULPWCBMTKXPSCS-RNCFNFMXSA-N -1 0 362.408 -0.917 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000831545318 601688471 /nfs/dbraw/zinc/68/84/71/601688471.db2.gz ULPWCBMTKXPSCS-TVQRCGJNSA-N -1 0 362.408 -0.917 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000831545319 601688460 /nfs/dbraw/zinc/68/84/60/601688460.db2.gz ULPWCBMTKXPSCS-ZANVPECISA-N -1 0 362.408 -0.917 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000831545320 601427894 /nfs/dbraw/zinc/42/78/94/601427894.db2.gz USTLCAHPLFJRIW-GXTWGEPZSA-N -1 0 357.388 -0.288 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000831545329 601427995 /nfs/dbraw/zinc/42/79/95/601427995.db2.gz USTLCAHPLFJRIW-JSGCOSHPSA-N -1 0 357.388 -0.288 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000831545330 601428009 /nfs/dbraw/zinc/42/80/09/601428009.db2.gz USTLCAHPLFJRIW-OCCSQVGLSA-N -1 0 357.388 -0.288 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000831545331 601428022 /nfs/dbraw/zinc/42/80/22/601428022.db2.gz USTLCAHPLFJRIW-TZMCWYRMSA-N -1 0 357.388 -0.288 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000831549157 601294638 /nfs/dbraw/zinc/29/46/38/601294638.db2.gz MJYCZAIUBMTXAZ-HNNXBMFYSA-N -1 0 370.383 -0.173 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000831549158 601294721 /nfs/dbraw/zinc/29/47/21/601294721.db2.gz MJYCZAIUBMTXAZ-OAHLLOKOSA-N -1 0 370.383 -0.173 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000831549165 601299991 /nfs/dbraw/zinc/29/99/91/601299991.db2.gz MQSQLIJBOQUJBA-HNNXBMFYSA-N -1 0 367.362 -0.709 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000831549166 601299875 /nfs/dbraw/zinc/29/98/75/601299875.db2.gz MQSQLIJBOQUJBA-OAHLLOKOSA-N -1 0 367.362 -0.709 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CCNS(=O)(=O)c1cccnc1 ZINC000831549369 601293083 /nfs/dbraw/zinc/29/30/83/601293083.db2.gz XHDFRSRRVQCGNP-AWEZNQCLSA-N -1 0 359.404 -0.254 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CCNS(=O)(=O)c1cccnc1 ZINC000831549370 601293088 /nfs/dbraw/zinc/29/30/88/601293088.db2.gz XHDFRSRRVQCGNP-CQSZACIVSA-N -1 0 359.404 -0.254 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 ZINC000831553841 601293718 /nfs/dbraw/zinc/29/37/18/601293718.db2.gz CBXAOBQTEARHEH-CYBMUJFWSA-N -1 0 362.408 -0.997 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 ZINC000831553842 601293726 /nfs/dbraw/zinc/29/37/26/601293726.db2.gz CBXAOBQTEARHEH-ZDUSSCGKSA-N -1 0 362.408 -0.997 20 0 FBADRM O=C([O-])N1CC(OCC(=O)Nc2ccc(CC(=O)NCCO)cc2)C1 ZINC000831557154 605776691 /nfs/dbraw/zinc/77/66/91/605776691.db2.gz ACWRHMRFFPCRPT-UHFFFAOYSA-N -1 0 351.359 -0.345 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)Nc1ccc(CC(=O)NCCO)cc1 ZINC000831557442 605776950 /nfs/dbraw/zinc/77/69/50/605776950.db2.gz HJDKZEJLIYLNTR-CYBMUJFWSA-N -1 0 351.359 -0.345 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)Nc1ccc(CC(=O)NCCO)cc1 ZINC000831557443 605777019 /nfs/dbraw/zinc/77/70/19/605777019.db2.gz HJDKZEJLIYLNTR-ZDUSSCGKSA-N -1 0 351.359 -0.345 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCNC(=O)Cc2cccc(F)c2)C1 ZINC000831557684 604795779 /nfs/dbraw/zinc/79/57/79/604795779.db2.gz KMIYLEQIXNSUPV-CYBMUJFWSA-N -1 0 353.350 -0.021 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)NCCNC(=O)Cc2cccc(F)c2)C1 ZINC000831557685 604796142 /nfs/dbraw/zinc/79/61/42/604796142.db2.gz KMIYLEQIXNSUPV-ZDUSSCGKSA-N -1 0 353.350 -0.021 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(CC(=O)NCCO)cc1 ZINC000831558652 605777079 /nfs/dbraw/zinc/77/70/79/605777079.db2.gz RYIRJARONKMDOV-CHWSQXEVSA-N -1 0 351.359 -0.611 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(CC(=O)NCCO)cc1 ZINC000831558654 605777095 /nfs/dbraw/zinc/77/70/95/605777095.db2.gz RYIRJARONKMDOV-OLZOCXBDSA-N -1 0 351.359 -0.611 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(CC(=O)NCCO)cc1 ZINC000831558656 605776776 /nfs/dbraw/zinc/77/67/76/605776776.db2.gz RYIRJARONKMDOV-QWHCGFSZSA-N -1 0 351.359 -0.611 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(CC(=O)NCCO)cc1 ZINC000831558658 605776622 /nfs/dbraw/zinc/77/66/22/605776622.db2.gz RYIRJARONKMDOV-STQMWFEESA-N -1 0 351.359 -0.611 20 0 FBADRM O=C([O-])N1CCC(=O)[C@H](OC(=O)CNC(=O)Cc2ccc(O)cc2)C1 ZINC000831558715 603802258 /nfs/dbraw/zinc/80/22/58/603802258.db2.gz UHQIJQOAYQBISX-CYBMUJFWSA-N -1 0 350.327 -0.085 20 0 FBADRM O=C([O-])N1CCC(=O)[C@@H](OC(=O)CNC(=O)Cc2ccc(O)cc2)C1 ZINC000831558717 603801816 /nfs/dbraw/zinc/80/18/16/603801816.db2.gz UHQIJQOAYQBISX-ZDUSSCGKSA-N -1 0 350.327 -0.085 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)Nc2ccc(CC(=O)NCCO)cc2)C1 ZINC000831558878 605776610 /nfs/dbraw/zinc/77/66/10/605776610.db2.gz WLKSORNGNAQXNH-CYBMUJFWSA-N -1 0 351.359 -0.345 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)Nc2ccc(CC(=O)NCCO)cc2)C1 ZINC000831558879 605777099 /nfs/dbraw/zinc/77/70/99/605777099.db2.gz WLKSORNGNAQXNH-ZDUSSCGKSA-N -1 0 351.359 -0.345 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000831563541 601303543 /nfs/dbraw/zinc/30/35/43/601303543.db2.gz NKAUWVWGXXHFSW-INIZCTEOSA-N -1 0 366.374 -0.815 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000831563545 601303503 /nfs/dbraw/zinc/30/35/03/601303503.db2.gz NKAUWVWGXXHFSW-MRXNPFEDSA-N -1 0 366.374 -0.815 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)Cn2cc(-c3ccccc3)nn2)CC1 ZINC000831567322 604840032 /nfs/dbraw/zinc/84/00/32/604840032.db2.gz KCGVECVTGOWIHF-UHFFFAOYSA-N -1 0 372.385 -0.117 20 0 FBADRM O=C([O-])N1CCC(=O)[C@H](OC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)C1 ZINC000831567460 603623238 /nfs/dbraw/zinc/62/32/38/603623238.db2.gz PFQBZLVUWVDXRK-GFCCVEGCSA-N -1 0 361.310 -0.033 20 0 FBADRM O=C([O-])N1CCC(=O)[C@@H](OC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)C1 ZINC000831567461 603623230 /nfs/dbraw/zinc/62/32/30/603623230.db2.gz PFQBZLVUWVDXRK-LBPRGKRZSA-N -1 0 361.310 -0.033 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)Cc2csc3nccn23)CC1 ZINC000831567525 604739016 /nfs/dbraw/zinc/73/90/16/604739016.db2.gz QVPPSWMFLNHYCG-UHFFFAOYSA-N -1 0 351.388 -0.123 20 0 FBADRM O=C([O-])N1CCC(=O)[C@H](OC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000831567988 603759321 /nfs/dbraw/zinc/75/93/21/603759321.db2.gz ZWLRZKSVEXMLPJ-GFCCVEGCSA-N -1 0 361.310 -0.033 20 0 FBADRM O=C([O-])N1CCC(=O)[C@@H](OC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000831567989 603758997 /nfs/dbraw/zinc/75/89/97/603758997.db2.gz ZWLRZKSVEXMLPJ-LBPRGKRZSA-N -1 0 361.310 -0.033 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000831568051 601291903 /nfs/dbraw/zinc/29/19/03/601291903.db2.gz VYRXRAKGBSCILT-INIZCTEOSA-N -1 0 364.358 -0.758 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000831568052 601291592 /nfs/dbraw/zinc/29/15/92/601291592.db2.gz VYRXRAKGBSCILT-MRXNPFEDSA-N -1 0 364.358 -0.758 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000831568089 601294295 /nfs/dbraw/zinc/29/42/95/601294295.db2.gz XVAQQABQQDKJCP-HNNXBMFYSA-N -1 0 372.399 -0.445 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000831568090 601294396 /nfs/dbraw/zinc/29/43/96/601294396.db2.gz XVAQQABQQDKJCP-OAHLLOKOSA-N -1 0 372.399 -0.445 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000831572572 601295155 /nfs/dbraw/zinc/29/51/55/601295155.db2.gz COPWBISFGFWKBU-INIZCTEOSA-N -1 0 364.358 -0.758 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000831572574 601294905 /nfs/dbraw/zinc/29/49/05/601294905.db2.gz COPWBISFGFWKBU-MRXNPFEDSA-N -1 0 364.358 -0.758 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000831572630 603345505 /nfs/dbraw/zinc/34/55/05/603345505.db2.gz DZUGRRYJXAQXSL-GFCCVEGCSA-N -1 0 352.391 -0.532 20 0 FBADRM O=C([O-])N1CCC[C@H]1CC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000831572632 603345270 /nfs/dbraw/zinc/34/52/70/603345270.db2.gz DZUGRRYJXAQXSL-LBPRGKRZSA-N -1 0 352.391 -0.532 20 0 FBADRM O=C([O-])N1CCC(=O)[C@@H](OC(=O)[C@H](CO)NC(=O)c2ccccc2)C1 ZINC000831573059 603781298 /nfs/dbraw/zinc/78/12/98/603781298.db2.gz ILDVRASTKYPNAO-AAEUAGOBSA-N -1 0 350.327 -0.358 20 0 FBADRM O=C([O-])N1CCC(=O)[C@H](OC(=O)[C@@H](CO)NC(=O)c2ccccc2)C1 ZINC000831573060 603781477 /nfs/dbraw/zinc/78/14/77/603781477.db2.gz ILDVRASTKYPNAO-DGCLKSJQSA-N -1 0 350.327 -0.358 20 0 FBADRM O=C([O-])N1CCC(=O)[C@H](OC(=O)[C@H](CO)NC(=O)c2ccccc2)C1 ZINC000831573061 603781311 /nfs/dbraw/zinc/78/13/11/603781311.db2.gz ILDVRASTKYPNAO-WCQYABFASA-N -1 0 350.327 -0.358 20 0 FBADRM O=C([O-])N1CCC(=O)[C@@H](OC(=O)[C@@H](CO)NC(=O)c2ccccc2)C1 ZINC000831573062 603781236 /nfs/dbraw/zinc/78/12/36/603781236.db2.gz ILDVRASTKYPNAO-YPMHNXCESA-N -1 0 350.327 -0.358 20 0 FBADRM O=C([O-])N1CC[C@@](F)(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000831573381 603846923 /nfs/dbraw/zinc/84/69/23/603846923.db2.gz KFYPOYIYQYZULT-HNNXBMFYSA-N -1 0 356.354 -0.972 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000831573384 603847219 /nfs/dbraw/zinc/84/72/19/603847219.db2.gz KFYPOYIYQYZULT-OAHLLOKOSA-N -1 0 356.354 -0.972 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000831573812 601300934 /nfs/dbraw/zinc/30/09/34/601300934.db2.gz XBSXQEZIJHTICU-HNNXBMFYSA-N -1 0 350.331 -0.356 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000831573813 601300976 /nfs/dbraw/zinc/30/09/76/601300976.db2.gz XBSXQEZIJHTICU-OAHLLOKOSA-N -1 0 350.331 -0.356 20 0 FBADRM O=C([O-])N(CC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)CC1CC1 ZINC000831574046 603345282 /nfs/dbraw/zinc/34/52/82/603345282.db2.gz OVXRCHUNLMXBPD-UHFFFAOYSA-N -1 0 352.391 -0.674 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000831584340 601266362 /nfs/dbraw/zinc/26/63/62/601266362.db2.gz DLCREVKFLQJHNM-CYBMUJFWSA-N -1 0 352.409 -0.414 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000831584343 601266369 /nfs/dbraw/zinc/26/63/69/601266369.db2.gz DLCREVKFLQJHNM-ZDUSSCGKSA-N -1 0 352.409 -0.414 20 0 FBADRM O=C([O-])N1CCC[C@@H](NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000831584412 603944877 /nfs/dbraw/zinc/94/48/77/603944877.db2.gz KJURUXAANRVSSE-BXKDBHETSA-N -1 0 354.388 -0.025 20 0 FBADRM O=C([O-])N1CCC[C@H](NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000831584413 605716851 /nfs/dbraw/zinc/71/68/51/605716851.db2.gz KJURUXAANRVSSE-CABZTGNLSA-N -1 0 354.388 -0.025 20 0 FBADRM O=C([O-])N1CCC[C@H](NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000831584414 605716864 /nfs/dbraw/zinc/71/68/64/605716864.db2.gz KJURUXAANRVSSE-JOYOIKCWSA-N -1 0 354.388 -0.025 20 0 FBADRM O=C([O-])N1CCC[C@@H](NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000831584416 603944738 /nfs/dbraw/zinc/94/47/38/603944738.db2.gz KJURUXAANRVSSE-SKDRFNHKSA-N -1 0 354.388 -0.025 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1 ZINC000831591251 601265792 /nfs/dbraw/zinc/26/57/92/601265792.db2.gz SMQDULBKMLSPRQ-AWEZNQCLSA-N -1 0 360.388 -0.048 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1 ZINC000831591253 601265951 /nfs/dbraw/zinc/26/59/51/601265951.db2.gz SMQDULBKMLSPRQ-CQSZACIVSA-N -1 0 360.388 -0.048 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000831591373 601266591 /nfs/dbraw/zinc/26/65/91/601266591.db2.gz SWWIEIZQWWROQB-AWEZNQCLSA-N -1 0 371.371 -0.626 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000831591374 601266453 /nfs/dbraw/zinc/26/64/53/601266453.db2.gz SWWIEIZQWWROQB-CQSZACIVSA-N -1 0 371.371 -0.626 20 0 FBADRM COC[C@](C)(CO)NC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000831591413 601334818 /nfs/dbraw/zinc/33/48/18/601334818.db2.gz UZPDIMQTOOYTQC-INIZCTEOSA-N -1 0 353.375 -0.051 20 0 FBADRM COC[C@@](C)(CO)NC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000831591414 601334532 /nfs/dbraw/zinc/33/45/32/601334532.db2.gz UZPDIMQTOOYTQC-MRXNPFEDSA-N -1 0 353.375 -0.051 20 0 FBADRM COC[C@@](C)(CC(=O)OC)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000831591433 601266734 /nfs/dbraw/zinc/26/67/34/601266734.db2.gz VWPPFGYUWPHDOC-CYBMUJFWSA-N -1 0 352.409 -0.414 20 0 FBADRM COC[C@](C)(CC(=O)OC)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000831591434 601266862 /nfs/dbraw/zinc/26/68/62/601266862.db2.gz VWPPFGYUWPHDOC-ZDUSSCGKSA-N -1 0 352.409 -0.414 20 0 FBADRM COC[C@@](C)(NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)C(=O)[O-] ZINC000831596991 601700503 /nfs/dbraw/zinc/70/05/03/601700503.db2.gz MZPXRUBMLJIZKI-BLLLJJGKSA-N -1 0 366.349 -0.148 20 0 FBADRM COC[C@](C)(NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)C(=O)[O-] ZINC000831596992 601700490 /nfs/dbraw/zinc/70/04/90/601700490.db2.gz MZPXRUBMLJIZKI-LRDDRELGSA-N -1 0 366.349 -0.148 20 0 FBADRM COC[C@@](C)(NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)C(=O)[O-] ZINC000831596993 601700654 /nfs/dbraw/zinc/70/06/54/601700654.db2.gz MZPXRUBMLJIZKI-MLGOLLRUSA-N -1 0 366.349 -0.148 20 0 FBADRM COC[C@](C)(NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)C(=O)[O-] ZINC000831596994 601700499 /nfs/dbraw/zinc/70/04/99/601700499.db2.gz MZPXRUBMLJIZKI-WBMJQRKESA-N -1 0 366.349 -0.148 20 0 FBADRM COC[C@@](C)(NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000831602775 601697060 /nfs/dbraw/zinc/69/70/60/601697060.db2.gz PUMDONRZUYZWED-CXAGYDPISA-N -1 0 371.434 -0.694 20 0 FBADRM COC[C@](C)(NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000831602782 601697160 /nfs/dbraw/zinc/69/71/60/601697160.db2.gz PUMDONRZUYZWED-DYVFJYSZSA-N -1 0 371.434 -0.694 20 0 FBADRM COC[C@](C)(NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000831602786 601697076 /nfs/dbraw/zinc/69/70/76/601697076.db2.gz PUMDONRZUYZWED-GUYCJALGSA-N -1 0 371.434 -0.694 20 0 FBADRM COC[C@@](C)(NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000831602790 601697149 /nfs/dbraw/zinc/69/71/49/601697149.db2.gz PUMDONRZUYZWED-SUMWQHHRSA-N -1 0 371.434 -0.694 20 0 FBADRM COC[C@@](C)(NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000831602807 601700947 /nfs/dbraw/zinc/70/09/47/601700947.db2.gz QPZZVHZESVWZRN-CYBMUJFWSA-N -1 0 362.408 -0.997 20 0 FBADRM COC[C@](C)(NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000831602808 601700953 /nfs/dbraw/zinc/70/09/53/601700953.db2.gz QPZZVHZESVWZRN-ZDUSSCGKSA-N -1 0 362.408 -0.997 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000831603334 604283228 /nfs/dbraw/zinc/28/32/28/604283228.db2.gz ATUFKDXOOKAPHT-GFCCVEGCSA-N -1 0 361.420 -0.562 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000831603335 604283256 /nfs/dbraw/zinc/28/32/56/604283256.db2.gz ATUFKDXOOKAPHT-LBPRGKRZSA-N -1 0 361.420 -0.562 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000831604595 603997422 /nfs/dbraw/zinc/99/74/22/603997422.db2.gz SOUBOCFXUDPREW-LLVKDONJSA-N -1 0 360.436 -0.006 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000831604596 603997788 /nfs/dbraw/zinc/99/77/88/603997788.db2.gz SOUBOCFXUDPREW-NSHDSACASA-N -1 0 360.436 -0.006 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000831604787 603961662 /nfs/dbraw/zinc/96/16/62/603961662.db2.gz XNGYOXXIEWIUPQ-CMPLNLGQSA-N -1 0 361.420 -0.828 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000831604788 603961845 /nfs/dbraw/zinc/96/18/45/603961845.db2.gz XNGYOXXIEWIUPQ-JQWIXIFHSA-N -1 0 361.420 -0.828 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000831604789 603961744 /nfs/dbraw/zinc/96/17/44/603961744.db2.gz XNGYOXXIEWIUPQ-PWSUYJOCSA-N -1 0 361.420 -0.828 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000831604790 603962051 /nfs/dbraw/zinc/96/20/51/603962051.db2.gz XNGYOXXIEWIUPQ-ZYHUDNBSSA-N -1 0 361.420 -0.828 20 0 FBADRM O=C([O-])N1CC(NC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000831604858 604596898 /nfs/dbraw/zinc/59/68/98/604596898.db2.gz YPZPEOMNXQJCRE-UHFFFAOYSA-N -1 0 374.341 -0.038 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000831604933 603961967 /nfs/dbraw/zinc/96/19/67/603961967.db2.gz ZWBMZJVSYADGME-GFCCVEGCSA-N -1 0 361.420 -0.562 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000831604934 603961769 /nfs/dbraw/zinc/96/17/69/603961769.db2.gz ZWBMZJVSYADGME-LBPRGKRZSA-N -1 0 361.420 -0.562 20 0 FBADRM COC[C@](C)(NC(=O)CNC(=O)c1cnc2ccccc2c1O)C(=O)[O-] ZINC000831608303 601691952 /nfs/dbraw/zinc/69/19/52/601691952.db2.gz LUWXZZKLQASEGA-KRWDZBQOSA-N -1 0 361.354 -0.136 20 0 FBADRM COC[C@@](C)(NC(=O)CNC(=O)c1cnc2ccccc2c1O)C(=O)[O-] ZINC000831608304 601692108 /nfs/dbraw/zinc/69/21/08/601692108.db2.gz LUWXZZKLQASEGA-QGZVFWFLSA-N -1 0 361.354 -0.136 20 0 FBADRM COC[C@](C)(NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)[O-] ZINC000831608471 601691702 /nfs/dbraw/zinc/69/17/02/601691702.db2.gz PXQPATPETLHZNY-INIZCTEOSA-N -1 0 373.406 -0.328 20 0 FBADRM COC[C@@](C)(NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)[O-] ZINC000831608472 601691610 /nfs/dbraw/zinc/69/16/10/601691610.db2.gz PXQPATPETLHZNY-MRXNPFEDSA-N -1 0 373.406 -0.328 20 0 FBADRM COC[C@](C)(NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)[O-] ZINC000831608499 601694194 /nfs/dbraw/zinc/69/41/94/601694194.db2.gz RVTLSVWHTNFAFP-AWEZNQCLSA-N -1 0 356.356 -0.563 20 0 FBADRM COC[C@@](C)(NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)[O-] ZINC000831608500 601694323 /nfs/dbraw/zinc/69/43/23/601694323.db2.gz RVTLSVWHTNFAFP-CQSZACIVSA-N -1 0 356.356 -0.563 20 0 FBADRM COC[C@](C)(NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)C(=O)[O-] ZINC000831608507 601977717 /nfs/dbraw/zinc/97/77/17/601977717.db2.gz SABOCFYETDLOIS-HNNXBMFYSA-N -1 0 372.399 -0.399 20 0 FBADRM COC[C@@](C)(NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)C(=O)[O-] ZINC000831608508 601977640 /nfs/dbraw/zinc/97/76/40/601977640.db2.gz SABOCFYETDLOIS-OAHLLOKOSA-N -1 0 372.399 -0.399 20 0 FBADRM COC[C@@](C)(NC(=O)CSc1nnnn1CC(F)(F)F)C(=O)[O-] ZINC000831608709 601697394 /nfs/dbraw/zinc/69/73/94/601697394.db2.gz YWKRJOWNCMJCKZ-SECBINFHSA-N -1 0 357.314 -0.067 20 0 FBADRM COC[C@](C)(NC(=O)CSc1nnnn1CC(F)(F)F)C(=O)[O-] ZINC000831608710 601697488 /nfs/dbraw/zinc/69/74/88/601697488.db2.gz YWKRJOWNCMJCKZ-VIFPVBQESA-N -1 0 357.314 -0.067 20 0 FBADRM COC[C@](C)(NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC000831612524 601693520 /nfs/dbraw/zinc/69/35/20/601693520.db2.gz FIHSQUWFYFJIDZ-BONVTDFDSA-N -1 0 374.415 -0.032 20 0 FBADRM COC[C@@](C)(NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC000831612525 601693613 /nfs/dbraw/zinc/69/36/13/601693613.db2.gz FIHSQUWFYFJIDZ-ZUZCIYMTSA-N -1 0 374.415 -0.032 20 0 FBADRM COC[C@@](C)(NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)C(=O)[O-] ZINC000831612892 601700209 /nfs/dbraw/zinc/70/02/09/601700209.db2.gz KSKHHKBEVRFEAD-LLVKDONJSA-N -1 0 364.152 -0.683 20 0 FBADRM COC[C@](C)(NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)C(=O)[O-] ZINC000831612893 601700294 /nfs/dbraw/zinc/70/02/94/601700294.db2.gz KSKHHKBEVRFEAD-NSHDSACASA-N -1 0 364.152 -0.683 20 0 FBADRM COC[C@](C)(NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1)C(=O)[O-] ZINC000831612934 601699129 /nfs/dbraw/zinc/69/91/29/601699129.db2.gz NNCRVVMLBUVCQA-INIZCTEOSA-N -1 0 364.358 -0.840 20 0 FBADRM COC[C@@](C)(NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1)C(=O)[O-] ZINC000831612935 601699133 /nfs/dbraw/zinc/69/91/33/601699133.db2.gz NNCRVVMLBUVCQA-MRXNPFEDSA-N -1 0 364.358 -0.840 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)C(=O)Nc2ccc3n[nH]cc3c2)CC1 ZINC000831615655 604141174 /nfs/dbraw/zinc/14/11/74/604141174.db2.gz ARQAMCTZMQUCBT-UHFFFAOYSA-N -1 0 374.357 -0.560 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2cn(Cc3ccccn3)nn2)CC1 ZINC000831615736 603381845 /nfs/dbraw/zinc/38/18/45/603381845.db2.gz CXRHPCWURHZNNZ-UHFFFAOYSA-N -1 0 373.373 -0.727 20 0 FBADRM O=C([O-])N1CC(NC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000831615765 604581798 /nfs/dbraw/zinc/58/17/98/604581798.db2.gz DOODQWMCGDPEQA-UHFFFAOYSA-N -1 0 361.402 -0.003 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2ccccc2Cn2cncn2)CC1 ZINC000831615843 603383817 /nfs/dbraw/zinc/38/38/17/603383817.db2.gz HCUPAYKBSAIUPE-UHFFFAOYSA-N -1 0 372.385 -0.122 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000831615880 604974451 /nfs/dbraw/zinc/97/44/51/604974451.db2.gz IIKORTGAODXFDN-LLVKDONJSA-N -1 0 350.379 -0.092 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@H]2CCCc3c[nH]nc32)CC1 ZINC000831615881 604974597 /nfs/dbraw/zinc/97/45/97/604974597.db2.gz IIKORTGAODXFDN-NSHDSACASA-N -1 0 350.379 -0.092 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)[C@H]2CCCN2c2ncccn2)CC1 ZINC000831615883 603479819 /nfs/dbraw/zinc/47/98/19/603479819.db2.gz INFXLSDAUVLXQC-GFCCVEGCSA-N -1 0 362.390 -0.616 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)[C@@H]2CCCN2c2ncccn2)CC1 ZINC000831615884 603479394 /nfs/dbraw/zinc/47/93/94/603479394.db2.gz INFXLSDAUVLXQC-LBPRGKRZSA-N -1 0 362.390 -0.616 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000831615914 604124734 /nfs/dbraw/zinc/12/47/34/604124734.db2.gz IYRNWIZPVKXLSJ-LLVKDONJSA-N -1 0 350.379 -0.612 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@H]2CCc3c[nH]nc3C2)CC1 ZINC000831615915 604124952 /nfs/dbraw/zinc/12/49/52/604124952.db2.gz IYRNWIZPVKXLSJ-NSHDSACASA-N -1 0 350.379 -0.612 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2cnn(-c3cccnc3)c2)CC1 ZINC000831615921 604320145 /nfs/dbraw/zinc/32/01/45/604320145.db2.gz JCTPGUOOTMOCDP-UHFFFAOYSA-N -1 0 358.358 -0.181 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)C(=O)Nc2ccc(F)nc2)CC1 ZINC000831616099 605094369 /nfs/dbraw/zinc/09/43/69/605094369.db2.gz NJWPPGYSDQLYDF-UHFFFAOYSA-N -1 0 353.310 -0.902 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@@H](CO)c2ccccc2)CC1 ZINC000831616103 604791330 /nfs/dbraw/zinc/79/13/30/604791330.db2.gz NKYRVLDQEQHGFA-ZDUSSCGKSA-N -1 0 350.375 -0.159 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC000831616223 604974530 /nfs/dbraw/zinc/97/45/30/604974530.db2.gz QGBLCWYVWIQPBF-LLVKDONJSA-N -1 0 350.379 -0.612 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@H]2CCc3n[nH]cc3C2)CC1 ZINC000831616224 604974507 /nfs/dbraw/zinc/97/45/07/604974507.db2.gz QGBLCWYVWIQPBF-NSHDSACASA-N -1 0 350.379 -0.612 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)Nc2cnn(-c3ncccn3)c2)CC1 ZINC000831616386 603606564 /nfs/dbraw/zinc/60/65/64/603606564.db2.gz VJUHOWITMCQORK-UHFFFAOYSA-N -1 0 374.361 -0.394 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NC[C@@H](CO)c2ccccc2)CC1 ZINC000831616391 603632281 /nfs/dbraw/zinc/63/22/81/603632281.db2.gz VXCPLIMPXBOHJV-AWEZNQCLSA-N -1 0 364.402 -0.116 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NC[C@H](CO)c2ccccc2)CC1 ZINC000831616392 603632478 /nfs/dbraw/zinc/63/24/78/603632478.db2.gz VXCPLIMPXBOHJV-CQSZACIVSA-N -1 0 364.402 -0.116 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NC[C@H]2CSCCS2)CC1 ZINC000831616400 603846441 /nfs/dbraw/zinc/84/64/41/603846441.db2.gz WEXUAYRRJCXIBW-JTQLQIEISA-N -1 0 362.477 -0.044 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NC[C@@H]2CSCCS2)CC1 ZINC000831616401 603846195 /nfs/dbraw/zinc/84/61/95/603846195.db2.gz WEXUAYRRJCXIBW-SNVBAGLBSA-N -1 0 362.477 -0.044 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@H]2CCCn3ncnc32)CC1 ZINC000831616429 603749652 /nfs/dbraw/zinc/74/96/52/603749652.db2.gz WTYXKMVOAOVONG-JTQLQIEISA-N -1 0 351.367 -0.766 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@@H]2CCCn3ncnc32)CC1 ZINC000831616444 603749565 /nfs/dbraw/zinc/74/95/65/603749565.db2.gz WTYXKMVOAOVONG-SNVBAGLBSA-N -1 0 351.367 -0.766 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCc2ccn3ccnc3c2)CC1 ZINC000831616472 604837240 /nfs/dbraw/zinc/83/72/40/604837240.db2.gz XPLZBJVCCXUEQW-UHFFFAOYSA-N -1 0 360.374 -0.044 20 0 FBADRM COC[C@](C)(NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C(=O)[O-] ZINC000831617620 601698593 /nfs/dbraw/zinc/69/85/93/601698593.db2.gz NVYSXVOYMPLROB-HNNXBMFYSA-N -1 0 358.416 -0.002 20 0 FBADRM COC[C@@](C)(NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C(=O)[O-] ZINC000831617621 601698721 /nfs/dbraw/zinc/69/87/21/601698721.db2.gz NVYSXVOYMPLROB-OAHLLOKOSA-N -1 0 358.416 -0.002 20 0 FBADRM COC[C@@](C)(NC(=O)c1cc(OC)c(S(N)(=O)=O)s1)C(=O)[O-] ZINC000831617658 601696519 /nfs/dbraw/zinc/69/65/19/601696519.db2.gz QVDIIRSUOKHTOW-LLVKDONJSA-N -1 0 352.390 -0.376 20 0 FBADRM COC[C@](C)(NC(=O)c1cc(OC)c(S(N)(=O)=O)s1)C(=O)[O-] ZINC000831617659 601696556 /nfs/dbraw/zinc/69/65/56/601696556.db2.gz QVDIIRSUOKHTOW-NSHDSACASA-N -1 0 352.390 -0.376 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000831619843 604900964 /nfs/dbraw/zinc/90/09/64/604900964.db2.gz BTZZKENOYDTWMP-CMPLNLGQSA-N -1 0 368.342 -0.350 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000831619844 604901078 /nfs/dbraw/zinc/90/10/78/604901078.db2.gz BTZZKENOYDTWMP-JQWIXIFHSA-N -1 0 368.342 -0.350 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000831619845 604901248 /nfs/dbraw/zinc/90/12/48/604901248.db2.gz BTZZKENOYDTWMP-PWSUYJOCSA-N -1 0 368.342 -0.350 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000831619846 604901195 /nfs/dbraw/zinc/90/11/95/604901195.db2.gz BTZZKENOYDTWMP-ZYHUDNBSSA-N -1 0 368.342 -0.350 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000831620054 604901215 /nfs/dbraw/zinc/90/12/15/604901215.db2.gz DPUWIVQYFWFUAD-JBLDHEPKSA-N -1 0 368.342 -0.616 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000831620055 604901648 /nfs/dbraw/zinc/90/16/48/604901648.db2.gz DPUWIVQYFWFUAD-JFGNBEQYSA-N -1 0 368.342 -0.616 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000831620056 604901661 /nfs/dbraw/zinc/90/16/61/604901661.db2.gz DPUWIVQYFWFUAD-NHCYSSNCSA-N -1 0 368.342 -0.616 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000831620057 604901668 /nfs/dbraw/zinc/90/16/68/604901668.db2.gz DPUWIVQYFWFUAD-SCVCMEIPSA-N -1 0 368.342 -0.616 20 0 FBADRM O=C([O-])N1CC(NC(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000831621085 604617641 /nfs/dbraw/zinc/61/76/41/604617641.db2.gz LLCUMHHXKAOASD-JTQLQIEISA-N -1 0 353.331 -0.184 20 0 FBADRM O=C([O-])N1CC(NC(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000831621087 604617682 /nfs/dbraw/zinc/61/76/82/604617682.db2.gz LLCUMHHXKAOASD-SNVBAGLBSA-N -1 0 353.331 -0.184 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000831622386 604304137 /nfs/dbraw/zinc/30/41/37/604304137.db2.gz SQVZTWAMVHVKQO-HZMBPMFUSA-N -1 0 368.342 -0.350 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000831622387 604303979 /nfs/dbraw/zinc/30/39/79/604303979.db2.gz SQVZTWAMVHVKQO-IINYFYTJSA-N -1 0 368.342 -0.350 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000831622388 604304035 /nfs/dbraw/zinc/30/40/35/604304035.db2.gz SQVZTWAMVHVKQO-QMTHXVAHSA-N -1 0 368.342 -0.350 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000831622389 604304027 /nfs/dbraw/zinc/30/40/27/604304027.db2.gz SQVZTWAMVHVKQO-YGRLFVJLSA-N -1 0 368.342 -0.350 20 0 FBADRM COC[C@](C)(NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C(=O)[O-] ZINC000831623459 601695207 /nfs/dbraw/zinc/69/52/07/601695207.db2.gz FUYRFEZTWKWOKV-AWEZNQCLSA-N -1 0 358.372 -0.835 20 0 FBADRM COC[C@@](C)(NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C(=O)[O-] ZINC000831623460 601695240 /nfs/dbraw/zinc/69/52/40/601695240.db2.gz FUYRFEZTWKWOKV-CQSZACIVSA-N -1 0 358.372 -0.835 20 0 FBADRM COC[C@](C)(NC(=O)c1nc(S(C)(=O)=O)n2ccccc12)C(=O)[O-] ZINC000831627731 601700216 /nfs/dbraw/zinc/70/02/16/601700216.db2.gz LFSWPQJIDPDRSY-AWEZNQCLSA-N -1 0 355.372 -0.043 20 0 FBADRM COC[C@@](C)(NC(=O)c1nc(S(C)(=O)=O)n2ccccc12)C(=O)[O-] ZINC000831627732 601700251 /nfs/dbraw/zinc/70/02/51/601700251.db2.gz LFSWPQJIDPDRSY-CQSZACIVSA-N -1 0 355.372 -0.043 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)NCC3(O)CCOCC3)nn2)CC1 ZINC000831628489 603999602 /nfs/dbraw/zinc/99/96/02/603999602.db2.gz UGRNECWNKVQNGQ-UHFFFAOYSA-N -1 0 353.379 -0.136 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1 ZINC000831628848 604745204 /nfs/dbraw/zinc/74/52/04/604745204.db2.gz XASOMEIBPAHWDN-DOMZBBRYSA-N -1 0 359.448 -0.311 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)NC[C@]2(N3CCOCC3)CCSC2)C1 ZINC000831628850 604744660 /nfs/dbraw/zinc/74/46/60/604744660.db2.gz XASOMEIBPAHWDN-IUODEOHRSA-N -1 0 359.448 -0.311 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)NC[C@]2(N3CCOCC3)CCSC2)C1 ZINC000831628852 604744891 /nfs/dbraw/zinc/74/48/91/604744891.db2.gz XASOMEIBPAHWDN-SWLSCSKDSA-N -1 0 359.448 -0.311 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1 ZINC000831628854 604744647 /nfs/dbraw/zinc/74/46/47/604744647.db2.gz XASOMEIBPAHWDN-WFASDCNBSA-N -1 0 359.448 -0.311 20 0 FBADRM COC[C@@](C)(NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)C(=O)[O-] ZINC000831631271 601805001 /nfs/dbraw/zinc/80/50/01/601805001.db2.gz FOCWFZMPSUZERF-CYBMUJFWSA-N -1 0 357.344 -0.191 20 0 FBADRM COC[C@](C)(NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)C(=O)[O-] ZINC000831631273 601805050 /nfs/dbraw/zinc/80/50/50/601805050.db2.gz FOCWFZMPSUZERF-ZDUSSCGKSA-N -1 0 357.344 -0.191 20 0 FBADRM COC[C@@](C)(NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(=O)[O-] ZINC000831631431 601805949 /nfs/dbraw/zinc/80/59/49/601805949.db2.gz GQUIFIHZFRQYRZ-GFCCVEGCSA-N -1 0 369.392 -0.003 20 0 FBADRM COC[C@](C)(NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(=O)[O-] ZINC000831631433 601805964 /nfs/dbraw/zinc/80/59/64/601805964.db2.gz GQUIFIHZFRQYRZ-LBPRGKRZSA-N -1 0 369.392 -0.003 20 0 FBADRM COC[C@@](C)(NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000831631985 661151436 /nfs/dbraw/zinc/15/14/36/661151436.db2.gz QRZAPVKATNOUDH-GFCCVEGCSA-N -1 0 369.392 -0.003 20 0 FBADRM COC[C@](C)(NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000831631986 661151385 /nfs/dbraw/zinc/15/13/85/661151385.db2.gz QRZAPVKATNOUDH-LBPRGKRZSA-N -1 0 369.392 -0.003 20 0 FBADRM COC[C@](C)(NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000831632178 601804040 /nfs/dbraw/zinc/80/40/40/601804040.db2.gz UNOICPLPRWVSCS-AWEZNQCLSA-N -1 0 356.356 -0.320 20 0 FBADRM COC[C@@](C)(NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000831632180 601803985 /nfs/dbraw/zinc/80/39/85/601803985.db2.gz UNOICPLPRWVSCS-CQSZACIVSA-N -1 0 356.356 -0.320 20 0 FBADRM COC[C@](C)(NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)[O-] ZINC000831632646 601804107 /nfs/dbraw/zinc/80/41/07/601804107.db2.gz ZRAODKQAQMRIHJ-AWEZNQCLSA-N -1 0 357.388 -0.355 20 0 FBADRM COC[C@@](C)(NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)[O-] ZINC000831632647 601804082 /nfs/dbraw/zinc/80/40/82/601804082.db2.gz ZRAODKQAQMRIHJ-CQSZACIVSA-N -1 0 357.388 -0.355 20 0 FBADRM COC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000831636899 600899465 /nfs/dbraw/zinc/89/94/65/600899465.db2.gz BDNYUBULVSJKOT-INIZCTEOSA-N -1 0 370.358 -0.146 20 0 FBADRM COC[C@](C)(O)CNC(=O)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000831636903 600899371 /nfs/dbraw/zinc/89/93/71/600899371.db2.gz BDNYUBULVSJKOT-MRXNPFEDSA-N -1 0 370.358 -0.146 20 0 FBADRM COC[C@](C)(O)C(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000831637246 601990529 /nfs/dbraw/zinc/99/05/29/601990529.db2.gz HHXDOSAUTWUCOY-HNNXBMFYSA-N -1 0 359.400 -0.300 20 0 FBADRM COC[C@@](C)(O)C(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000831637247 601990540 /nfs/dbraw/zinc/99/05/40/601990540.db2.gz HHXDOSAUTWUCOY-OAHLLOKOSA-N -1 0 359.400 -0.300 20 0 FBADRM COC[C@@](C)(O)CNC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1 ZINC000831638034 600790374 /nfs/dbraw/zinc/79/03/74/600790374.db2.gz PSRKZDNJKSIAOI-KRWDZBQOSA-N -1 0 363.370 -0.080 20 0 FBADRM COC[C@](C)(O)CNC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1 ZINC000831638035 600790275 /nfs/dbraw/zinc/79/02/75/600790275.db2.gz PSRKZDNJKSIAOI-QGZVFWFLSA-N -1 0 363.370 -0.080 20 0 FBADRM COC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000831638068 600899417 /nfs/dbraw/zinc/89/94/17/600899417.db2.gz QKCDYCCWDJUGJN-INIZCTEOSA-N -1 0 368.342 -0.377 20 0 FBADRM COC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000831638069 600899507 /nfs/dbraw/zinc/89/95/07/600899507.db2.gz QKCDYCCWDJUGJN-MRXNPFEDSA-N -1 0 368.342 -0.377 20 0 FBADRM COC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000831638558 600899537 /nfs/dbraw/zinc/89/95/37/600899537.db2.gz ZLDZVXZUXLGEMS-INIZCTEOSA-N -1 0 368.342 -0.377 20 0 FBADRM COC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000831638559 600899761 /nfs/dbraw/zinc/89/97/61/600899761.db2.gz ZLDZVXZUXLGEMS-MRXNPFEDSA-N -1 0 368.342 -0.377 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000831639771 603932907 /nfs/dbraw/zinc/93/29/07/603932907.db2.gz HDBODTAKVCRMOE-BXKDBHETSA-N -1 0 354.388 -0.025 20 0 FBADRM O=C([O-])N1CCC[C@H]1CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000831639772 603933048 /nfs/dbraw/zinc/93/30/48/603933048.db2.gz HDBODTAKVCRMOE-CABZTGNLSA-N -1 0 354.388 -0.025 20 0 FBADRM O=C([O-])N1CCC[C@H]1CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000831639773 603932925 /nfs/dbraw/zinc/93/29/25/603932925.db2.gz HDBODTAKVCRMOE-JOYOIKCWSA-N -1 0 354.388 -0.025 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000831639774 603933011 /nfs/dbraw/zinc/93/30/11/603933011.db2.gz HDBODTAKVCRMOE-SKDRFNHKSA-N -1 0 354.388 -0.025 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000831640029 604146769 /nfs/dbraw/zinc/14/67/69/604146769.db2.gz KKYHIMPRGVWHCO-LLVKDONJSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000831640030 604146778 /nfs/dbraw/zinc/14/67/78/604146778.db2.gz KKYHIMPRGVWHCO-NSHDSACASA-N -1 0 359.346 -0.141 20 0 FBADRM COC[C@H](C)NC(=O)NC(=O)CNc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000831644250 601187624 /nfs/dbraw/zinc/18/76/24/601187624.db2.gz XCLHETMKNOYYQW-JTQLQIEISA-N -1 0 366.374 -0.226 20 0 FBADRM COC[C@@H](C)NC(=O)NC(=O)CNc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000831644251 601187601 /nfs/dbraw/zinc/18/76/01/601187601.db2.gz XCLHETMKNOYYQW-SNVBAGLBSA-N -1 0 366.374 -0.226 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)NC[C@H]3CCCS3(=O)=O)nn2)CC1 ZINC000831647126 605074464 /nfs/dbraw/zinc/07/44/64/605074464.db2.gz KNMVVZQRISTMQS-LLVKDONJSA-N -1 0 371.419 -0.100 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)NC[C@@H]3CCCS3(=O)=O)nn2)CC1 ZINC000831647128 605074234 /nfs/dbraw/zinc/07/42/34/605074234.db2.gz KNMVVZQRISTMQS-NSHDSACASA-N -1 0 371.419 -0.100 20 0 FBADRM COC[C@H](CCO)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000831651358 601365548 /nfs/dbraw/zinc/36/55/48/601365548.db2.gz WZUVMTCWDRJKAW-GWCFXTLKSA-N -1 0 352.343 -0.621 20 0 FBADRM COC[C@H](CCO)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000831651359 601365600 /nfs/dbraw/zinc/36/56/00/601365600.db2.gz WZUVMTCWDRJKAW-GXFFZTMASA-N -1 0 352.343 -0.621 20 0 FBADRM COC[C@@H](CCO)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000831651360 601365582 /nfs/dbraw/zinc/36/55/82/601365582.db2.gz WZUVMTCWDRJKAW-MFKMUULPSA-N -1 0 352.343 -0.621 20 0 FBADRM COC[C@@H](CCO)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000831651361 601365589 /nfs/dbraw/zinc/36/55/89/601365589.db2.gz WZUVMTCWDRJKAW-ZWNOBZJWSA-N -1 0 352.343 -0.621 20 0 FBADRM O=C([O-])N1CCN(C(=O)c2cnccn2)[C@H](CNC(=O)c2cnccn2)C1 ZINC000831652773 603588079 /nfs/dbraw/zinc/58/80/79/603588079.db2.gz DUFJBUJLTLRSFW-LLVKDONJSA-N -1 0 371.357 -0.499 20 0 FBADRM O=C([O-])N1CCN(C(=O)c2cnccn2)[C@@H](CNC(=O)c2cnccn2)C1 ZINC000831652774 603589785 /nfs/dbraw/zinc/58/97/85/603589785.db2.gz DUFJBUJLTLRSFW-NSHDSACASA-N -1 0 371.357 -0.499 20 0 FBADRM O=C([O-])N1CC(NC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1 ZINC000831653186 604587495 /nfs/dbraw/zinc/58/74/95/604587495.db2.gz KFECDJYFKAZMDB-UHFFFAOYSA-N -1 0 370.378 -0.088 20 0 FBADRM O=C([O-])N1CCN(C(=O)C2=COCC2)[C@H](CNC(=O)C2=COCC2)C1 ZINC000831653300 605768226 /nfs/dbraw/zinc/76/82/26/605768226.db2.gz MOVCIRNPLBIFHZ-CYBMUJFWSA-N -1 0 351.359 -0.098 20 0 FBADRM O=C([O-])N1CCN(C(=O)C2=COCC2)[C@@H](CNC(=O)C2=COCC2)C1 ZINC000831653301 605768127 /nfs/dbraw/zinc/76/81/27/605768127.db2.gz MOVCIRNPLBIFHZ-ZDUSSCGKSA-N -1 0 351.359 -0.098 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@@H]2CCCO2)[C@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC000831653385 605966155 /nfs/dbraw/zinc/96/61/55/605966155.db2.gz ORMGUPUXZVYDCM-AGIUHOORSA-N -1 0 355.391 -0.349 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@H]2CCCO2)[C@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC000831653386 603588266 /nfs/dbraw/zinc/58/82/66/603588266.db2.gz ORMGUPUXZVYDCM-FRRDWIJNSA-N -1 0 355.391 -0.349 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@H]2CCCO2)[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000831653387 606067131 /nfs/dbraw/zinc/06/71/31/606067131.db2.gz ORMGUPUXZVYDCM-JHJVBQTASA-N -1 0 355.391 -0.349 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@@H]2CCCO2)[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000831653388 603588413 /nfs/dbraw/zinc/58/84/13/603588413.db2.gz ORMGUPUXZVYDCM-UPJWGTAASA-N -1 0 355.391 -0.349 20 0 FBADRM O=C([O-])N1CCN(C(=O)c2ncccn2)[C@H](CNC(=O)c2ncccn2)C1 ZINC000831653581 605768397 /nfs/dbraw/zinc/76/83/97/605768397.db2.gz TYDRBEBKDMLMSJ-LLVKDONJSA-N -1 0 371.357 -0.499 20 0 FBADRM O=C([O-])N1CCN(C(=O)c2ncccn2)[C@@H](CNC(=O)c2ncccn2)C1 ZINC000831653582 605768442 /nfs/dbraw/zinc/76/84/42/605768442.db2.gz TYDRBEBKDMLMSJ-NSHDSACASA-N -1 0 371.357 -0.499 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@H]2CCOC2)[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000831653689 603588370 /nfs/dbraw/zinc/58/83/70/603588370.db2.gz WMTLYAYRNVTTNE-FRRDWIJNSA-N -1 0 355.391 -0.634 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@@H]2CCOC2)[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000831653690 603588281 /nfs/dbraw/zinc/58/82/81/603588281.db2.gz WMTLYAYRNVTTNE-JHJVBQTASA-N -1 0 355.391 -0.634 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@H]2CCOC2)[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC000831653691 603588468 /nfs/dbraw/zinc/58/84/68/603588468.db2.gz WMTLYAYRNVTTNE-RWMBFGLXSA-N -1 0 355.391 -0.634 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@@H]2CCOC2)[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC000831653692 603588064 /nfs/dbraw/zinc/58/80/64/603588064.db2.gz WMTLYAYRNVTTNE-YNEHKIRRSA-N -1 0 355.391 -0.634 20 0 FBADRM COC[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)CCO1 ZINC000831666277 600905643 /nfs/dbraw/zinc/90/56/43/600905643.db2.gz IVCMPPNOFWDCON-CYBMUJFWSA-N -1 0 352.343 -0.038 20 0 FBADRM COC[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)CCO1 ZINC000831666279 600905654 /nfs/dbraw/zinc/90/56/54/600905654.db2.gz IVCMPPNOFWDCON-ZDUSSCGKSA-N -1 0 352.343 -0.038 20 0 FBADRM COC[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)CCO1 ZINC000831666310 600905680 /nfs/dbraw/zinc/90/56/80/600905680.db2.gz JIBJJHCIZVHKOT-CYBMUJFWSA-N -1 0 352.343 -0.038 20 0 FBADRM COC[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)CCO1 ZINC000831666312 600905818 /nfs/dbraw/zinc/90/58/18/600905818.db2.gz JIBJJHCIZVHKOT-ZDUSSCGKSA-N -1 0 352.343 -0.038 20 0 FBADRM COC[C@H]1CN(C(=O)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)CCO1 ZINC000831666346 600905642 /nfs/dbraw/zinc/90/56/42/600905642.db2.gz JYZBNUCZHFUMGS-BXUZGUMPSA-N -1 0 364.354 -0.261 20 0 FBADRM COC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)CCO1 ZINC000831666348 600905726 /nfs/dbraw/zinc/90/57/26/600905726.db2.gz JYZBNUCZHFUMGS-FZMZJTMJSA-N -1 0 364.354 -0.261 20 0 FBADRM COC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)CCO1 ZINC000831666349 600905658 /nfs/dbraw/zinc/90/56/58/600905658.db2.gz JYZBNUCZHFUMGS-RISCZKNCSA-N -1 0 364.354 -0.261 20 0 FBADRM COC[C@@H]1CN(C(=O)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)CCO1 ZINC000831666350 600905826 /nfs/dbraw/zinc/90/58/26/600905826.db2.gz JYZBNUCZHFUMGS-SMDDNHRTSA-N -1 0 364.354 -0.261 20 0 FBADRM COCCC(=O)N1CCC(NS(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000831671391 604660016 /nfs/dbraw/zinc/66/00/16/604660016.db2.gz QLUKYRXLORMFLK-UHFFFAOYSA-N -1 0 351.425 -0.745 20 0 FBADRM COCCC(=O)CN1C(C(=O)[O-])=NC2=NS(=O)(=O)c3ccccc3N21 ZINC000831671459 602310390 /nfs/dbraw/zinc/31/03/90/602310390.db2.gz VZUAPSKBUYLWFN-UHFFFAOYSA-N -1 0 366.355 -0.129 20 0 FBADRM COCCC(=O)N1CCC(NC(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC000831671487 604300894 /nfs/dbraw/zinc/30/08/94/604300894.db2.gz XMAGSKFJOJVQEL-CYBMUJFWSA-N -1 0 357.407 -0.101 20 0 FBADRM COCCC(=O)N1CCC(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC000831671488 604301078 /nfs/dbraw/zinc/30/10/78/604301078.db2.gz XMAGSKFJOJVQEL-ZDUSSCGKSA-N -1 0 357.407 -0.101 20 0 FBADRM O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)NCCCN1C(=O)CNC1=O)CC2 ZINC000831671534 604172080 /nfs/dbraw/zinc/17/20/80/604172080.db2.gz AGEHTNYGWVSUSM-MNOVXSKESA-N -1 0 353.379 -0.145 20 0 FBADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)NCCCN1C(=O)CNC1=O)C2 ZINC000831671596 603780133 /nfs/dbraw/zinc/78/01/33/603780133.db2.gz BUPBLINRFKUENW-FGWVZKOKSA-N -1 0 353.379 -0.099 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000831675334 604680567 /nfs/dbraw/zinc/68/05/67/604680567.db2.gz AEXAEKYOLOJSLI-LLVKDONJSA-N -1 0 368.390 -0.264 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000831675337 604680630 /nfs/dbraw/zinc/68/06/30/604680630.db2.gz AEXAEKYOLOJSLI-NSHDSACASA-N -1 0 368.390 -0.264 20 0 FBADRM O=C([O-])N1CC(NC(=O)NCCCN2CCN(c3ncccn3)CC2)C1 ZINC000831675532 604569767 /nfs/dbraw/zinc/56/97/67/604569767.db2.gz DYYJIGWPHIIQHF-UHFFFAOYSA-N -1 0 363.422 -0.350 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)C(=O)Nc2ccc(F)nc2)CC1 ZINC000831675542 605094256 /nfs/dbraw/zinc/09/42/56/605094256.db2.gz FEIVMLFSRBGZJL-UHFFFAOYSA-N -1 0 353.354 -0.039 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCCCNC(=O)C2CCC2)CC1 ZINC000831675585 604168107 /nfs/dbraw/zinc/16/81/07/604168107.db2.gz FTHXVOCLLHDGPZ-UHFFFAOYSA-N -1 0 369.422 -0.586 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)NCCCNC(=O)C2CCC2)CC1 ZINC000831675622 603846461 /nfs/dbraw/zinc/84/64/61/603846461.db2.gz GKBMZQKTGOMOMA-UHFFFAOYSA-N -1 0 355.439 -0.112 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)NC[C@H]2CCCS2(=O)=O)CC1 ZINC000831675689 604283065 /nfs/dbraw/zinc/28/30/65/604283065.db2.gz HECSARVGRONOBF-GFCCVEGCSA-N -1 0 362.452 -0.452 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)NC[C@@H]2CCCS2(=O)=O)CC1 ZINC000831675690 604283010 /nfs/dbraw/zinc/28/30/10/604283010.db2.gz HECSARVGRONOBF-LBPRGKRZSA-N -1 0 362.452 -0.452 20 0 FBADRM O=C([O-])N1CC(NC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000831675811 604568158 /nfs/dbraw/zinc/56/81/58/604568158.db2.gz JCOLIXPEKAVDMO-UHFFFAOYSA-N -1 0 353.379 -0.098 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000831676008 603983945 /nfs/dbraw/zinc/98/39/45/603983945.db2.gz KNFHOIVKBNQMIO-GFCCVEGCSA-N -1 0 364.406 -0.436 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000831676010 603983882 /nfs/dbraw/zinc/98/38/82/603983882.db2.gz KNFHOIVKBNQMIO-LBPRGKRZSA-N -1 0 364.406 -0.436 20 0 FBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CCC(C(=O)NCCCO)CC2)C1 ZINC000831676186 605808373 /nfs/dbraw/zinc/80/83/73/605808373.db2.gz MLRQPZYJLGFPBJ-CYBMUJFWSA-N -1 0 357.407 -0.508 20 0 FBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CCC(C(=O)NCCCO)CC2)C1 ZINC000831676187 605808256 /nfs/dbraw/zinc/80/82/56/605808256.db2.gz MLRQPZYJLGFPBJ-ZDUSSCGKSA-N -1 0 357.407 -0.508 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)NC[C@]2(CCO)CCOC2)CC1 ZINC000831676382 604877857 /nfs/dbraw/zinc/87/78/57/604877857.db2.gz NYMDYBYVCWOPBS-INIZCTEOSA-N -1 0 358.439 -0.240 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)NC[C@@]2(CCO)CCOC2)CC1 ZINC000831676383 604877731 /nfs/dbraw/zinc/87/77/31/604877731.db2.gz NYMDYBYVCWOPBS-MRXNPFEDSA-N -1 0 358.439 -0.240 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCCNC(=O)c1cccc(O)c1 ZINC000831676436 605875364 /nfs/dbraw/zinc/87/53/64/605875364.db2.gz PAWHPPBMBJGCBX-CHWSQXEVSA-N -1 0 351.359 -0.259 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCCNC(=O)c1cccc(O)c1 ZINC000831676457 605875106 /nfs/dbraw/zinc/87/51/06/605875106.db2.gz PAWHPPBMBJGCBX-OLZOCXBDSA-N -1 0 351.359 -0.259 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCCNC(=O)c1cccc(O)c1 ZINC000831676458 605875395 /nfs/dbraw/zinc/87/53/95/605875395.db2.gz PAWHPPBMBJGCBX-QWHCGFSZSA-N -1 0 351.359 -0.259 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCCNC(=O)c1cccc(O)c1 ZINC000831676459 605875462 /nfs/dbraw/zinc/87/54/62/605875462.db2.gz PAWHPPBMBJGCBX-STQMWFEESA-N -1 0 351.359 -0.259 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)NCCN2C(=O)CSC2=O)CC1 ZINC000831676541 603970650 /nfs/dbraw/zinc/97/06/50/603970650.db2.gz QKLHHCFMRFVPHV-UHFFFAOYSA-N -1 0 373.435 -0.333 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000831676753 603647978 /nfs/dbraw/zinc/64/79/78/603647978.db2.gz SNTOLAWLSNJFOD-GHMZBOCLSA-N -1 0 368.390 -0.530 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000831676758 603648218 /nfs/dbraw/zinc/64/82/18/603648218.db2.gz SNTOLAWLSNJFOD-MNOVXSKESA-N -1 0 368.390 -0.530 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000831676765 603648020 /nfs/dbraw/zinc/64/80/20/603648020.db2.gz SNTOLAWLSNJFOD-QWRGUYRKSA-N -1 0 368.390 -0.530 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000831676772 603648324 /nfs/dbraw/zinc/64/83/24/603648324.db2.gz SNTOLAWLSNJFOD-WDEREUQCSA-N -1 0 368.390 -0.530 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000831677024 604166098 /nfs/dbraw/zinc/16/60/98/604166098.db2.gz WQSMQIUGEVMKJN-GFCCVEGCSA-N -1 0 353.423 -0.265 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000831677025 604166184 /nfs/dbraw/zinc/16/61/84/604166184.db2.gz WQSMQIUGEVMKJN-LBPRGKRZSA-N -1 0 353.423 -0.265 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)NCc2nnnn2C2CC2)CC1 ZINC000831677065 604010310 /nfs/dbraw/zinc/01/03/10/604010310.db2.gz YCWZJODCICTUTL-UHFFFAOYSA-N -1 0 352.399 -0.507 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000831680025 604720802 /nfs/dbraw/zinc/72/08/02/604720802.db2.gz AHRNXVWAZUIJSS-LLVKDONJSA-N -1 0 353.379 -0.734 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000831680026 604721041 /nfs/dbraw/zinc/72/10/41/604721041.db2.gz AHRNXVWAZUIJSS-NSHDSACASA-N -1 0 353.379 -0.734 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCCCOC2CCOCC2)CC1 ZINC000831680052 603739389 /nfs/dbraw/zinc/73/93/89/603739389.db2.gz AUCAGSMESFLZDT-UHFFFAOYSA-N -1 0 372.422 -0.307 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCCCO[C@@H]2CCOC2)CC1 ZINC000831680274 603659106 /nfs/dbraw/zinc/65/91/06/603659106.db2.gz DTHOOYYQRUZHKX-GFCCVEGCSA-N -1 0 358.395 -0.697 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCCCO[C@H]2CCOC2)CC1 ZINC000831680276 603659125 /nfs/dbraw/zinc/65/91/25/603659125.db2.gz DTHOOYYQRUZHKX-LBPRGKRZSA-N -1 0 358.395 -0.697 20 0 FBADRM O=C([O-])N1CCC[C@H](OCC(=O)N2CCC(C(=O)NCCCO)CC2)C1 ZINC000831680421 605808147 /nfs/dbraw/zinc/80/81/47/605808147.db2.gz HLKBRRIVMRCLTC-AWEZNQCLSA-N -1 0 371.434 -0.117 20 0 FBADRM O=C([O-])N1CCC[C@@H](OCC(=O)N2CCC(C(=O)NCCCO)CC2)C1 ZINC000831680423 605808241 /nfs/dbraw/zinc/80/82/41/605808241.db2.gz HLKBRRIVMRCLTC-CQSZACIVSA-N -1 0 371.434 -0.117 20 0 FBADRM O=C([O-])N(CCNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)C1CC1 ZINC000831680602 603916892 /nfs/dbraw/zinc/91/68/92/603916892.db2.gz KUXMPIAFBXOVJH-GFCCVEGCSA-N -1 0 354.388 -0.025 20 0 FBADRM O=C([O-])N(CCNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)C1CC1 ZINC000831680604 603916619 /nfs/dbraw/zinc/91/66/19/603916619.db2.gz KUXMPIAFBXOVJH-LBPRGKRZSA-N -1 0 354.388 -0.025 20 0 FBADRM O=C([O-])N(CCNC(=O)C(=O)Nc1cnn(-c2ncccn2)c1)C1CC1 ZINC000831681232 604146615 /nfs/dbraw/zinc/14/66/15/604146615.db2.gz QJUMZVYITNYQIV-UHFFFAOYSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N(CC(=O)N1CCC(C(=O)NCCCO)CC1)C[C@@H]1CCCO1 ZINC000831681542 605806639 /nfs/dbraw/zinc/80/66/39/605806639.db2.gz UNFYFNRXHSCKBH-AWEZNQCLSA-N -1 0 371.434 -0.117 20 0 FBADRM O=C([O-])N(CC(=O)N1CCC(C(=O)NCCCO)CC1)C[C@H]1CCCO1 ZINC000831681545 605806396 /nfs/dbraw/zinc/80/63/96/605806396.db2.gz UNFYFNRXHSCKBH-CQSZACIVSA-N -1 0 371.434 -0.117 20 0 FBADRM O=C([O-])N1CCc2c1cccc2NC(=O)C(=O)NCCN1C(=O)CCC1=O ZINC000831684758 604036371 /nfs/dbraw/zinc/03/63/71/604036371.db2.gz FMJXKGOTOPJJLJ-UHFFFAOYSA-N -1 0 374.353 -0.069 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)NCCS(=O)(=O)CC2CC2)CC1 ZINC000831688359 604282867 /nfs/dbraw/zinc/28/28/67/604282867.db2.gz AXGBSCQSKNYRRL-UHFFFAOYSA-N -1 0 362.452 -0.594 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)C(=O)Nc2ccc3n[nH]cc3c2)CC1 ZINC000831688377 604129372 /nfs/dbraw/zinc/12/93/72/604129372.db2.gz BMXGHDSEVWIEII-UHFFFAOYSA-N -1 0 360.374 -0.087 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)NCCN2C(=O)CSC2=O)CC1 ZINC000831688571 603970733 /nfs/dbraw/zinc/97/07/33/603970733.db2.gz DJRCYEAGDIQXRW-UHFFFAOYSA-N -1 0 359.408 -0.723 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000831688602 604723941 /nfs/dbraw/zinc/72/39/41/604723941.db2.gz DQXJYZQNQWPLQU-CYBMUJFWSA-N -1 0 364.406 -0.906 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000831688604 604724161 /nfs/dbraw/zinc/72/41/61/604724161.db2.gz DQXJYZQNQWPLQU-ZDUSSCGKSA-N -1 0 364.406 -0.906 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000831688789 603791256 /nfs/dbraw/zinc/79/12/56/603791256.db2.gz GBRPDQASHOWISH-GZMMTYOYSA-N -1 0 357.313 -0.076 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000831688790 603791306 /nfs/dbraw/zinc/79/13/06/603791306.db2.gz GBRPDQASHOWISH-KCJUWKMLSA-N -1 0 357.313 -0.076 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000831688791 603790954 /nfs/dbraw/zinc/79/09/54/603790954.db2.gz GBRPDQASHOWISH-KWQFWETISA-N -1 0 357.313 -0.076 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000831688792 603790807 /nfs/dbraw/zinc/79/08/07/603790807.db2.gz GBRPDQASHOWISH-LDYMZIIASA-N -1 0 357.313 -0.076 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)c2cn(Cc3ccccn3)nn2)CC1 ZINC000831689009 603368050 /nfs/dbraw/zinc/36/80/50/603368050.db2.gz IWLITKZEKHWZKT-UHFFFAOYSA-N -1 0 359.390 -0.253 20 0 FBADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)NCCN1CCCS1(=O)=O)C2 ZINC000831689045 603736781 /nfs/dbraw/zinc/73/67/81/603736781.db2.gz KCMKUKXMAJGEPR-YOGCLGLASA-N -1 0 360.436 -0.006 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000831689204 604110436 /nfs/dbraw/zinc/11/04/36/604110436.db2.gz MMRIJTRMNVYDMX-LLVKDONJSA-N -1 0 350.379 -0.826 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000831689205 604111336 /nfs/dbraw/zinc/11/13/36/604111336.db2.gz MMRIJTRMNVYDMX-NSHDSACASA-N -1 0 350.379 -0.826 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)C(=O)Nc2ccn(CC(F)F)n2)CC1 ZINC000831689289 604145189 /nfs/dbraw/zinc/14/51/89/604145189.db2.gz NRRXPNQFCNJNNM-UHFFFAOYSA-N -1 0 374.348 -0.502 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)C(=O)Nc2cnn(CC(F)F)c2)CC1 ZINC000831689382 604908139 /nfs/dbraw/zinc/90/81/39/604908139.db2.gz PVZWOZXGHVRZNM-UHFFFAOYSA-N -1 0 374.348 -0.502 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)C(=O)Nc2cnn(CC3CC3)c2)CC1 ZINC000831689697 604908243 /nfs/dbraw/zinc/90/82/43/604908243.db2.gz VZVBCFHFXCOBFL-UHFFFAOYSA-N -1 0 364.406 -0.357 20 0 FBADRM COCCCN(C(=O)Cn1cc(C(=O)[O-])nn1)[C@H]1CCS(=O)(=O)C1 ZINC000831692122 601278187 /nfs/dbraw/zinc/27/81/87/601278187.db2.gz AQUGJMJPKIZRPT-JTQLQIEISA-N -1 0 360.392 -0.972 20 0 FBADRM COCCCN(C(=O)Cn1cc(C(=O)[O-])nn1)[C@@H]1CCS(=O)(=O)C1 ZINC000831692123 601278096 /nfs/dbraw/zinc/27/80/96/601278096.db2.gz AQUGJMJPKIZRPT-SNVBAGLBSA-N -1 0 360.392 -0.972 20 0 FBADRM O=C([O-])N1CSC[C@@H]1C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000831692813 603998138 /nfs/dbraw/zinc/99/81/38/603998138.db2.gz BQMWEFAATZEEJU-SECBINFHSA-N -1 0 364.405 -0.737 20 0 FBADRM O=C([O-])N1CSC[C@H]1C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000831692817 603998224 /nfs/dbraw/zinc/99/82/24/603998224.db2.gz BQMWEFAATZEEJU-VIFPVBQESA-N -1 0 364.405 -0.737 20 0 FBADRM O=C([O-])N1CCCC[C@@H]1C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000831692926 603998158 /nfs/dbraw/zinc/99/81/58/603998158.db2.gz DOFZCOVIZVHSJG-LLVKDONJSA-N -1 0 360.392 -0.257 20 0 FBADRM O=C([O-])N1CCCC[C@H]1C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000831692927 603998204 /nfs/dbraw/zinc/99/82/04/603998204.db2.gz DOFZCOVIZVHSJG-NSHDSACASA-N -1 0 360.392 -0.257 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000831692932 605526610 /nfs/dbraw/zinc/52/66/10/605526610.db2.gz DQALJAPQHVAJNC-JTQLQIEISA-N -1 0 357.392 -0.589 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000831692933 605526268 /nfs/dbraw/zinc/52/62/68/605526268.db2.gz DQALJAPQHVAJNC-SNVBAGLBSA-N -1 0 357.392 -0.589 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000831692934 603645846 /nfs/dbraw/zinc/64/58/46/603645846.db2.gz DQWBGYMBKNOQBB-CMPLNLGQSA-N -1 0 357.388 -0.806 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000831692935 603646260 /nfs/dbraw/zinc/64/62/60/603646260.db2.gz DQWBGYMBKNOQBB-JQWIXIFHSA-N -1 0 357.388 -0.806 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000831692936 603645888 /nfs/dbraw/zinc/64/58/88/603645888.db2.gz DQWBGYMBKNOQBB-PWSUYJOCSA-N -1 0 357.388 -0.806 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000831692939 603645694 /nfs/dbraw/zinc/64/56/94/603645694.db2.gz DQWBGYMBKNOQBB-ZYHUDNBSSA-N -1 0 357.388 -0.806 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCNS(=O)(=O)Cc2ccccc2)C1 ZINC000831692940 604709045 /nfs/dbraw/zinc/70/90/45/604709045.db2.gz DRWDYRQOYFGEOS-CYBMUJFWSA-N -1 0 371.415 -0.399 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)NCCNS(=O)(=O)Cc2ccccc2)C1 ZINC000831692941 604708801 /nfs/dbraw/zinc/70/88/01/604708801.db2.gz DRWDYRQOYFGEOS-ZDUSSCGKSA-N -1 0 371.415 -0.399 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000831692966 604077226 /nfs/dbraw/zinc/07/72/26/604077226.db2.gz FDGOZZDSHNWLQP-SECBINFHSA-N -1 0 361.380 -0.855 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000831692967 604077606 /nfs/dbraw/zinc/07/76/06/604077606.db2.gz FDGOZZDSHNWLQP-VIFPVBQESA-N -1 0 361.380 -0.855 20 0 FBADRM O=C([O-])N(CCNC(=O)NCCNS(=O)(=O)c1cccnc1)C1CC1 ZINC000831692986 605526114 /nfs/dbraw/zinc/52/61/14/605526114.db2.gz FMVXAGPKBKQKOI-UHFFFAOYSA-N -1 0 371.419 -0.199 20 0 FBADRM O=C([O-])N1CCC[C@H](C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000831693066 603998194 /nfs/dbraw/zinc/99/81/94/603998194.db2.gz HCGAJJFJEIOCES-JTQLQIEISA-N -1 0 360.392 -0.400 20 0 FBADRM O=C([O-])N1CCC[C@@H](C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000831693070 603998317 /nfs/dbraw/zinc/99/83/17/603998317.db2.gz HCGAJJFJEIOCES-SNVBAGLBSA-N -1 0 360.392 -0.400 20 0 FBADRM O=C([O-])N1CCC[C@@H](C(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000831693107 605534137 /nfs/dbraw/zinc/53/41/37/605534137.db2.gz HMUYRAASTSNSPL-LLVKDONJSA-N -1 0 356.404 -0.134 20 0 FBADRM O=C([O-])N1CCC[C@H](C(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000831693109 605533745 /nfs/dbraw/zinc/53/37/45/605533745.db2.gz HMUYRAASTSNSPL-NSHDSACASA-N -1 0 356.404 -0.134 20 0 FBADRM O=C([O-])N1CCC[C@@H](OCC(=O)N2CCC(C(=O)NCCO)CC2)C1 ZINC000831693320 605436623 /nfs/dbraw/zinc/43/66/23/605436623.db2.gz MAOKJWYKUMFEFK-CYBMUJFWSA-N -1 0 357.407 -0.508 20 0 FBADRM O=C([O-])N1CCC[C@H](OCC(=O)N2CCC(C(=O)NCCO)CC2)C1 ZINC000831693321 605436368 /nfs/dbraw/zinc/43/63/68/605436368.db2.gz MAOKJWYKUMFEFK-ZDUSSCGKSA-N -1 0 357.407 -0.508 20 0 FBADRM O=C([O-])N(CC(=O)N1CCC(C(=O)NCCO)CC1)C[C@H]1CCCO1 ZINC000831693376 605438985 /nfs/dbraw/zinc/43/89/85/605438985.db2.gz NDTHKMRAEMYFFH-CYBMUJFWSA-N -1 0 357.407 -0.508 20 0 FBADRM O=C([O-])N(CC(=O)N1CCC(C(=O)NCCO)CC1)C[C@@H]1CCCO1 ZINC000831693380 605439111 /nfs/dbraw/zinc/43/91/11/605439111.db2.gz NDTHKMRAEMYFFH-ZDUSSCGKSA-N -1 0 357.407 -0.508 20 0 FBADRM O=C([O-])N1CCC(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000831693442 603998212 /nfs/dbraw/zinc/99/82/12/603998212.db2.gz NXBOOVJWXLRJGO-UHFFFAOYSA-N -1 0 360.392 -0.400 20 0 FBADRM O=C([O-])N1CCSC[C@H]1CC(=O)N1CCC(C(=O)NCCO)CC1 ZINC000831693846 605447205 /nfs/dbraw/zinc/44/72/05/605447205.db2.gz QAASZHWMTKSCDN-GFCCVEGCSA-N -1 0 359.448 -0.181 20 0 FBADRM O=C([O-])N1CCSC[C@@H]1CC(=O)N1CCC(C(=O)NCCO)CC1 ZINC000831693847 605447137 /nfs/dbraw/zinc/44/71/37/605447137.db2.gz QAASZHWMTKSCDN-LBPRGKRZSA-N -1 0 359.448 -0.181 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCNS(=O)(=O)c2ccccc2)C1 ZINC000831693863 604680813 /nfs/dbraw/zinc/68/08/13/604680813.db2.gz QZGADDHDRSRGJS-GFCCVEGCSA-N -1 0 357.388 -0.540 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)NCCNS(=O)(=O)c2ccccc2)C1 ZINC000831693864 604680487 /nfs/dbraw/zinc/68/04/87/604680487.db2.gz QZGADDHDRSRGJS-LBPRGKRZSA-N -1 0 357.388 -0.540 20 0 FBADRM O=C([O-])N1CCC[C@@H]1CNC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000831694167 605526510 /nfs/dbraw/zinc/52/65/10/605526510.db2.gz SBKTVUHNMIUACQ-LLVKDONJSA-N -1 0 371.419 -0.199 20 0 FBADRM O=C([O-])N1CCC[C@H]1CNC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000831694168 605526457 /nfs/dbraw/zinc/52/64/57/605526457.db2.gz SBKTVUHNMIUACQ-NSHDSACASA-N -1 0 371.419 -0.199 20 0 FBADRM O=C([O-])N1CC(NC(=O)NCCNS(=O)(=O)Cc2ccccc2)C1 ZINC000831694183 604571844 /nfs/dbraw/zinc/57/18/44/604571844.db2.gz SISUXAJYQLLHSQ-UHFFFAOYSA-N -1 0 356.404 -0.233 20 0 FBADRM O=C([O-])N1CCC(C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000831694561 605533985 /nfs/dbraw/zinc/53/39/85/605533985.db2.gz VWCREQQIMJAWCS-UHFFFAOYSA-N -1 0 356.404 -0.134 20 0 FBADRM O=C([O-])N1CCC(NC(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000831694574 605524234 /nfs/dbraw/zinc/52/42/34/605524234.db2.gz WANNQYPOIYJPFG-UHFFFAOYSA-N -1 0 371.419 -0.199 20 0 FBADRM O=C([O-])N1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000831694636 605526547 /nfs/dbraw/zinc/52/65/47/605526547.db2.gz WWRWYQKFVDBDBV-LLVKDONJSA-N -1 0 371.419 -0.199 20 0 FBADRM O=C([O-])N1CCC[C@H](NC(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000831694638 605657993 /nfs/dbraw/zinc/65/79/93/605657993.db2.gz WWRWYQKFVDBDBV-NSHDSACASA-N -1 0 371.419 -0.199 20 0 FBADRM COCCCNC(=O)C1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000831696600 601256781 /nfs/dbraw/zinc/25/67/81/601256781.db2.gz BPOJPFFNUBETQK-UHFFFAOYSA-N -1 0 365.452 -0.498 20 0 FBADRM COCCCNC(=O)C1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC000831696816 601780326 /nfs/dbraw/zinc/78/03/26/601780326.db2.gz OXSZWUCPDQQZLH-LLVKDONJSA-N -1 0 350.437 -0.098 20 0 FBADRM COCCCNC(=O)C1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC000831696817 601780182 /nfs/dbraw/zinc/78/01/82/601780182.db2.gz OXSZWUCPDQQZLH-NSHDSACASA-N -1 0 350.437 -0.098 20 0 FBADRM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1 ZINC000831697001 601683648 /nfs/dbraw/zinc/68/36/48/601683648.db2.gz UCLPOZSEKKAUFM-CYBMUJFWSA-N -1 0 372.466 -0.034 20 0 FBADRM COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1 ZINC000831697002 601683606 /nfs/dbraw/zinc/68/36/06/601683606.db2.gz UCLPOZSEKKAUFM-ZDUSSCGKSA-N -1 0 372.466 -0.034 20 0 FBADRM COCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000831697006 601253378 /nfs/dbraw/zinc/25/33/78/601253378.db2.gz UTMHAXMXSWYOJE-LLVKDONJSA-N -1 0 372.465 -0.837 20 0 FBADRM COCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000831697007 601253360 /nfs/dbraw/zinc/25/33/60/601253360.db2.gz UTMHAXMXSWYOJE-NSHDSACASA-N -1 0 372.465 -0.837 20 0 FBADRM COCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000831697068 601772673 /nfs/dbraw/zinc/77/26/73/601772673.db2.gz XYSDIXSAILJODU-GHMZBOCLSA-N -1 0 357.450 -0.438 20 0 FBADRM COCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000831697069 601772552 /nfs/dbraw/zinc/77/25/52/601772552.db2.gz XYSDIXSAILJODU-MNOVXSKESA-N -1 0 357.450 -0.438 20 0 FBADRM COCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000831697070 601772719 /nfs/dbraw/zinc/77/27/19/601772719.db2.gz XYSDIXSAILJODU-QWRGUYRKSA-N -1 0 357.450 -0.438 20 0 FBADRM COCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000831697071 601772507 /nfs/dbraw/zinc/77/25/07/601772507.db2.gz XYSDIXSAILJODU-WDEREUQCSA-N -1 0 357.450 -0.438 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCS(=O)(=O)NCc2ccccc2)C1 ZINC000831699028 604714876 /nfs/dbraw/zinc/71/48/76/604714876.db2.gz BJWZRTZLUNUORF-CYBMUJFWSA-N -1 0 371.415 -0.399 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)NCCS(=O)(=O)NCc2ccccc2)C1 ZINC000831699032 604714583 /nfs/dbraw/zinc/71/45/83/604714583.db2.gz BJWZRTZLUNUORF-ZDUSSCGKSA-N -1 0 371.415 -0.399 20 0 FBADRM O=C([O-])N1CC(NC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 ZINC000831699258 604587376 /nfs/dbraw/zinc/58/73/76/604587376.db2.gz FSEUBTMLHGNXRT-LLVKDONJSA-N -1 0 364.424 -0.864 20 0 FBADRM O=C([O-])N1CC(NC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 ZINC000831699259 604587226 /nfs/dbraw/zinc/58/72/26/604587226.db2.gz FSEUBTMLHGNXRT-NSHDSACASA-N -1 0 364.424 -0.864 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCS(=O)(=O)Cc1ccccc1 ZINC000831699665 603695909 /nfs/dbraw/zinc/69/59/09/603695909.db2.gz NAQXXCPLPMNNOI-CHWSQXEVSA-N -1 0 356.400 -0.169 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCS(=O)(=O)Cc1ccccc1 ZINC000831699666 603695942 /nfs/dbraw/zinc/69/59/42/603695942.db2.gz NAQXXCPLPMNNOI-OLZOCXBDSA-N -1 0 356.400 -0.169 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCS(=O)(=O)Cc1ccccc1 ZINC000831699667 603695770 /nfs/dbraw/zinc/69/57/70/603695770.db2.gz NAQXXCPLPMNNOI-QWHCGFSZSA-N -1 0 356.400 -0.169 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCS(=O)(=O)Cc1ccccc1 ZINC000831699668 603695772 /nfs/dbraw/zinc/69/57/72/603695772.db2.gz NAQXXCPLPMNNOI-STQMWFEESA-N -1 0 356.400 -0.169 20 0 FBADRM O=C([O-])N1CC(NC(=O)NCCS(=O)(=O)NCc2ccccc2)C1 ZINC000831699903 604573906 /nfs/dbraw/zinc/57/39/06/604573906.db2.gz PRIYXJIFECBNNF-UHFFFAOYSA-N -1 0 356.404 -0.233 20 0 FBADRM O=C([O-])N1CC(NC(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000831700244 604585910 /nfs/dbraw/zinc/58/59/10/604585910.db2.gz YSLSRGIAWAKIEO-UHFFFAOYSA-N -1 0 352.438 -0.974 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000831705217 604560219 /nfs/dbraw/zinc/56/02/19/604560219.db2.gz CNCNFAILKRUTHH-UHFFFAOYSA-N -1 0 352.409 -0.918 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)CCSCC(=O)[O-])CC1 ZINC000831705229 604566365 /nfs/dbraw/zinc/56/63/65/604566365.db2.gz DETHFJMVGOUZSM-UHFFFAOYSA-N -1 0 368.477 -0.295 20 0 FBADRM COCCCS(=O)(=O)N1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1 ZINC000831705253 604419225 /nfs/dbraw/zinc/41/92/25/604419225.db2.gz GSESJEACEXIXKO-LLVKDONJSA-N -1 0 372.465 -0.979 20 0 FBADRM COCCCS(=O)(=O)N1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC000831705254 604419069 /nfs/dbraw/zinc/41/90/69/604419069.db2.gz GSESJEACEXIXKO-NSHDSACASA-N -1 0 372.465 -0.979 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000831705492 604732957 /nfs/dbraw/zinc/73/29/57/604732957.db2.gz NTKXVUOBCRVPNE-CYBMUJFWSA-N -1 0 372.399 -0.179 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000831705493 604732952 /nfs/dbraw/zinc/73/29/52/604732952.db2.gz NTKXVUOBCRVPNE-ZDUSSCGKSA-N -1 0 372.399 -0.179 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=O)NCCCCC(=O)[O-])CC1 ZINC000831705524 604577766 /nfs/dbraw/zinc/57/77/66/604577766.db2.gz PJYOKTDDSGCVLI-UHFFFAOYSA-N -1 0 365.452 -0.065 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000831705581 604736875 /nfs/dbraw/zinc/73/68/75/604736875.db2.gz TZBHVLSXFNPPSA-LLVKDONJSA-N -1 0 350.418 -0.054 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000831705582 604736989 /nfs/dbraw/zinc/73/69/89/604736989.db2.gz TZBHVLSXFNPPSA-NSHDSACASA-N -1 0 350.418 -0.054 20 0 FBADRM COCCCS(=O)(=O)N1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000831705586 604419354 /nfs/dbraw/zinc/41/93/54/604419354.db2.gz UGNMYVLOWUTTGL-UHFFFAOYSA-N -1 0 372.465 -0.835 20 0 FBADRM COCCCS(=O)(=O)NCCn1nnc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000831705610 601347556 /nfs/dbraw/zinc/34/75/56/601347556.db2.gz WANAZDWTMKVZSH-UHFFFAOYSA-N -1 0 369.403 -0.006 20 0 FBADRM COCCCS(=O)(=O)N1CCN(C(=S)NCCCC(=O)[O-])CC1 ZINC000831705629 604398111 /nfs/dbraw/zinc/39/81/11/604398111.db2.gz XRNISUPVRLAIRK-UHFFFAOYSA-N -1 0 367.493 -0.290 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)NCCc2nnc3n2CCC3)CC1 ZINC000831707943 604140903 /nfs/dbraw/zinc/14/09/03/604140903.db2.gz AJSMKYPARDCERE-UHFFFAOYSA-N -1 0 351.411 -0.638 20 0 FBADRM COCCN(C(=O)CN(CC(=O)[O-])C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000831709533 601379550 /nfs/dbraw/zinc/37/95/50/601379550.db2.gz BWPMKGKZLSMNBD-GFCCVEGCSA-N -1 0 350.437 -0.557 20 0 FBADRM COCCN(C(=O)CN(CC(=O)[O-])C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000831709544 601379487 /nfs/dbraw/zinc/37/94/87/601379487.db2.gz BWPMKGKZLSMNBD-LBPRGKRZSA-N -1 0 350.437 -0.557 20 0 FBADRM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000831709728 601215324 /nfs/dbraw/zinc/21/53/24/601215324.db2.gz FCEGNCRVIWKBBJ-SSDOTTSWSA-N -1 0 366.417 -0.034 20 0 FBADRM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000831709729 601215263 /nfs/dbraw/zinc/21/52/63/601215263.db2.gz FCEGNCRVIWKBBJ-ZETCQYMHSA-N -1 0 366.417 -0.034 20 0 FBADRM COCCN(C(=O)CN1CC[C@](C)(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000831709797 601910580 /nfs/dbraw/zinc/91/05/80/601910580.db2.gz IPJVXYXNXAAQSP-DOMZBBRYSA-N -1 0 362.448 -0.555 20 0 FBADRM COCCN(C(=O)CN1CC[C@@](C)(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000831709798 601910459 /nfs/dbraw/zinc/91/04/59/601910459.db2.gz IPJVXYXNXAAQSP-IUODEOHRSA-N -1 0 362.448 -0.555 20 0 FBADRM COCCN(C(=O)CN1CC[C@@](C)(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000831709799 601910547 /nfs/dbraw/zinc/91/05/47/601910547.db2.gz IPJVXYXNXAAQSP-SWLSCSKDSA-N -1 0 362.448 -0.555 20 0 FBADRM COCCN(C(=O)CN1CC[C@](C)(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000831709800 601910741 /nfs/dbraw/zinc/91/07/41/601910741.db2.gz IPJVXYXNXAAQSP-WFASDCNBSA-N -1 0 362.448 -0.555 20 0 FBADRM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000831709801 601239098 /nfs/dbraw/zinc/23/90/98/601239098.db2.gz IQWJNAVQKOGTDF-SECBINFHSA-N -1 0 360.388 -0.096 20 0 FBADRM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000831709802 601239128 /nfs/dbraw/zinc/23/91/28/601239128.db2.gz IQWJNAVQKOGTDF-VIFPVBQESA-N -1 0 360.388 -0.096 20 0 FBADRM COCCN(C(=O)Cn1cc(C(=O)[O-])ccc1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000831710083 601578187 /nfs/dbraw/zinc/57/81/87/601578187.db2.gz ORSHKPVPJJYNRU-GFCCVEGCSA-N -1 0 372.399 -0.791 20 0 FBADRM COCCN(C(=O)Cn1cc(C(=O)[O-])ccc1=O)[C@H]1CCS(=O)(=O)C1 ZINC000831710089 601578290 /nfs/dbraw/zinc/57/82/90/601578290.db2.gz ORSHKPVPJJYNRU-LBPRGKRZSA-N -1 0 372.399 -0.791 20 0 FBADRM COCCCn1ccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)n1 ZINC000831710199 601629584 /nfs/dbraw/zinc/62/95/84/601629584.db2.gz QJYANWHECVAVQJ-LLVKDONJSA-N -1 0 354.363 -0.440 20 0 FBADRM COCCCn1ccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)n1 ZINC000831710200 601629760 /nfs/dbraw/zinc/62/97/60/601629760.db2.gz QJYANWHECVAVQJ-NSHDSACASA-N -1 0 354.363 -0.440 20 0 FBADRM COCCN(C(=O)CN1C[C@H](C)[C@@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000831710268 601502131 /nfs/dbraw/zinc/50/21/31/601502131.db2.gz UAZBQHUWIYSSSO-AVGNSLFASA-N -1 0 362.448 -0.699 20 0 FBADRM COCCN(C(=O)CN1C[C@H](C)[C@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000831710286 601501764 /nfs/dbraw/zinc/50/17/64/601501764.db2.gz UAZBQHUWIYSSSO-RWMBFGLXSA-N -1 0 362.448 -0.699 20 0 FBADRM COCCN(C(=O)CN1C[C@H](C)[C@@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000831710287 601501915 /nfs/dbraw/zinc/50/19/15/601501915.db2.gz UAZBQHUWIYSSSO-XQQFMLRXSA-N -1 0 362.448 -0.699 20 0 FBADRM COCCN(C(=O)CN1C[C@H](C)[C@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000831710289 601501652 /nfs/dbraw/zinc/50/16/52/601501652.db2.gz UAZBQHUWIYSSSO-YNEHKIRRSA-N -1 0 362.448 -0.699 20 0 FBADRM COCCN(C(=O)CN(C)C(C)(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000831710313 601381291 /nfs/dbraw/zinc/38/12/91/601381291.db2.gz UUGJJXYNBBZSQW-LLVKDONJSA-N -1 0 350.437 -0.557 20 0 FBADRM COCCN(C(=O)CN(C)C(C)(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000831710314 601381252 /nfs/dbraw/zinc/38/12/52/601381252.db2.gz UUGJJXYNBBZSQW-NSHDSACASA-N -1 0 350.437 -0.557 20 0 FBADRM COCCN(C(=O)CN1CC[C@](F)(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000831710347 601443650 /nfs/dbraw/zinc/44/36/50/601443650.db2.gz VSFBGRUUWFMZNB-BXUZGUMPSA-N -1 0 366.411 -0.853 20 0 FBADRM COCCN(C(=O)CN1CC[C@@](F)(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000831710351 601443996 /nfs/dbraw/zinc/44/39/96/601443996.db2.gz VSFBGRUUWFMZNB-FZMZJTMJSA-N -1 0 366.411 -0.853 20 0 FBADRM COCCN(C(=O)CN1CC[C@@](F)(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000831710352 601443839 /nfs/dbraw/zinc/44/38/39/601443839.db2.gz VSFBGRUUWFMZNB-RISCZKNCSA-N -1 0 366.411 -0.853 20 0 FBADRM COCCN(C(=O)CN1CC[C@](F)(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000831710353 601443963 /nfs/dbraw/zinc/44/39/63/601443963.db2.gz VSFBGRUUWFMZNB-SMDDNHRTSA-N -1 0 366.411 -0.853 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000831714340 603643229 /nfs/dbraw/zinc/64/32/29/603643229.db2.gz BUPGMCVHVXMCSX-CHWSQXEVSA-N -1 0 350.375 -0.352 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000831714341 603642631 /nfs/dbraw/zinc/64/26/31/603642631.db2.gz BUPGMCVHVXMCSX-OLZOCXBDSA-N -1 0 350.375 -0.352 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000831714342 603642779 /nfs/dbraw/zinc/64/27/79/603642779.db2.gz BUPGMCVHVXMCSX-QWHCGFSZSA-N -1 0 350.375 -0.352 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000831714343 603643030 /nfs/dbraw/zinc/64/30/30/603643030.db2.gz BUPGMCVHVXMCSX-STQMWFEESA-N -1 0 350.375 -0.352 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC000831715448 604005030 /nfs/dbraw/zinc/00/50/30/604005030.db2.gz QNBLQPBHLOCNCN-NEPJUHHUSA-N -1 0 354.384 -0.254 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC000831715451 604005394 /nfs/dbraw/zinc/00/53/94/604005394.db2.gz QNBLQPBHLOCNCN-NWDGAFQWSA-N -1 0 354.384 -0.254 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC000831715454 604005708 /nfs/dbraw/zinc/00/57/08/604005708.db2.gz QNBLQPBHLOCNCN-RYUDHWBXSA-N -1 0 354.384 -0.254 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC000831715456 604005712 /nfs/dbraw/zinc/00/57/12/604005712.db2.gz QNBLQPBHLOCNCN-VXGBXAGGSA-N -1 0 354.384 -0.254 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)NCc2ccc(N3CCOCC3)nc2)C1 ZINC000831715512 604668744 /nfs/dbraw/zinc/66/87/44/604668744.db2.gz RRVGFXNUODNVJT-CYBMUJFWSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)NCc2ccc(N3CCOCC3)nc2)C1 ZINC000831715513 604668827 /nfs/dbraw/zinc/66/88/27/604668827.db2.gz RRVGFXNUODNVJT-ZDUSSCGKSA-N -1 0 350.375 -0.087 20 0 FBADRM COCCN(CC(=O)[O-])CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000831719774 601863874 /nfs/dbraw/zinc/86/38/74/601863874.db2.gz SHYRRURTIKWZRW-UHFFFAOYSA-N -1 0 359.404 -0.386 20 0 FBADRM COCCN(CC(=O)[O-])CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000831719883 604765090 /nfs/dbraw/zinc/76/50/90/604765090.db2.gz WPSCEOGZZGYMFL-UHFFFAOYSA-N -1 0 359.404 -0.386 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000831724750 600765732 /nfs/dbraw/zinc/76/57/32/600765732.db2.gz AMQRBAJMUBVZER-UHFFFAOYSA-N -1 0 373.387 -0.778 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000831724889 601404635 /nfs/dbraw/zinc/40/46/35/601404635.db2.gz FXEGUEPKJQJDNS-CYBMUJFWSA-N -1 0 357.388 -0.334 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000831724890 601404524 /nfs/dbraw/zinc/40/45/24/601404524.db2.gz FXEGUEPKJQJDNS-ZDUSSCGKSA-N -1 0 357.388 -0.334 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)c1cc(OC)c(S(N)(=O)=O)s1 ZINC000831724963 601558313 /nfs/dbraw/zinc/55/83/13/601558313.db2.gz IKVYBBTVAFZBNV-UHFFFAOYSA-N -1 0 366.417 -0.033 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000831725216 601683984 /nfs/dbraw/zinc/68/39/84/601683984.db2.gz RTOVWWMYMYFXBJ-JTQLQIEISA-N -1 0 362.408 -0.963 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000831725218 601684083 /nfs/dbraw/zinc/68/40/83/601684083.db2.gz RTOVWWMYMYFXBJ-SNVBAGLBSA-N -1 0 362.408 -0.963 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)Cc1c(C)nc2nc(N)nn2c1C ZINC000831725458 600765817 /nfs/dbraw/zinc/76/58/17/600765817.db2.gz XVPAHQUXXWQTFI-UHFFFAOYSA-N -1 0 350.379 -0.184 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)NCc2ccnc(N3CCOCC3)c2)C1 ZINC000831725808 604695981 /nfs/dbraw/zinc/69/59/81/604695981.db2.gz LPKCXPRFCJYESI-CYBMUJFWSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)NCc2ccnc(N3CCOCC3)c2)C1 ZINC000831725809 604695888 /nfs/dbraw/zinc/69/58/88/604695888.db2.gz LPKCXPRFCJYESI-ZDUSSCGKSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)NCc2cccnc2N2CCOCC2)C1 ZINC000831726200 604689875 /nfs/dbraw/zinc/68/98/75/604689875.db2.gz XYMFNRNIFOWSIS-CYBMUJFWSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)NCc2cccnc2N2CCOCC2)C1 ZINC000831726201 604689767 /nfs/dbraw/zinc/68/97/67/604689767.db2.gz XYMFNRNIFOWSIS-ZDUSSCGKSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)NCc3nnnn3C3CC3)nn2)CC1 ZINC000831731165 603088711 /nfs/dbraw/zinc/08/87/11/603088711.db2.gz SONJIFSELYCPQW-UHFFFAOYSA-N -1 0 361.366 -0.156 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000831744092 600872986 /nfs/dbraw/zinc/87/29/86/600872986.db2.gz GOPLHLRHTIHEGV-KBPBESRZSA-N -1 0 355.435 -0.216 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000831744093 600873077 /nfs/dbraw/zinc/87/30/77/600873077.db2.gz GOPLHLRHTIHEGV-KGLIPLIRSA-N -1 0 355.435 -0.216 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000831744094 600873089 /nfs/dbraw/zinc/87/30/89/600873089.db2.gz GOPLHLRHTIHEGV-UONOGXRCSA-N -1 0 355.435 -0.216 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000831744095 600873132 /nfs/dbraw/zinc/87/31/32/600873132.db2.gz GOPLHLRHTIHEGV-ZIAGYGMSSA-N -1 0 355.435 -0.216 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@H](C)N(S(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC000831744118 601780942 /nfs/dbraw/zinc/78/09/42/601780942.db2.gz HFUYUBUOSQBMEA-GRYCIOLGSA-N -1 0 350.437 -0.100 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@@H](C)N(S(=O)(=O)C[C@@H](C)C(=O)[O-])C1 ZINC000831744120 601780900 /nfs/dbraw/zinc/78/09/00/601780900.db2.gz HFUYUBUOSQBMEA-IJLUTSLNSA-N -1 0 350.437 -0.100 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@@H](C)N(S(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC000831744122 601780849 /nfs/dbraw/zinc/78/08/49/601780849.db2.gz HFUYUBUOSQBMEA-QJPTWQEYSA-N -1 0 350.437 -0.100 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@H](C)N(S(=O)(=O)C[C@H](C)C(=O)[O-])C1 ZINC000831744124 601780800 /nfs/dbraw/zinc/78/08/00/601780800.db2.gz HFUYUBUOSQBMEA-SDDRHHMPSA-N -1 0 350.437 -0.100 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000831744554 601278793 /nfs/dbraw/zinc/27/87/93/601278793.db2.gz LDAVRAJRIXHBAN-GHMZBOCLSA-N -1 0 353.379 -0.634 20 0 FBADRM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000831744555 601278914 /nfs/dbraw/zinc/27/89/14/601278914.db2.gz LDAVRAJRIXHBAN-MNOVXSKESA-N -1 0 353.379 -0.634 20 0 FBADRM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000831744557 601278799 /nfs/dbraw/zinc/27/87/99/601278799.db2.gz LDAVRAJRIXHBAN-QWRGUYRKSA-N -1 0 353.379 -0.634 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000831744558 601278901 /nfs/dbraw/zinc/27/89/01/601278901.db2.gz LDAVRAJRIXHBAN-WDEREUQCSA-N -1 0 353.379 -0.634 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1 ZINC000831744895 602363012 /nfs/dbraw/zinc/36/30/12/602363012.db2.gz NCLOCKOCDWBMFM-UHFFFAOYSA-N -1 0 367.406 -0.365 20 0 FBADRM COCCNC(=O)[C@H]1CC[C@@H](C)N(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000831745421 601256560 /nfs/dbraw/zinc/25/65/60/601256560.db2.gz QAWBSVHPHIIQKB-NEPJUHHUSA-N -1 0 365.452 -0.499 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@H](C)N(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000831745422 601256534 /nfs/dbraw/zinc/25/65/34/601256534.db2.gz QAWBSVHPHIIQKB-NWDGAFQWSA-N -1 0 365.452 -0.499 20 0 FBADRM COCCNC(=O)[C@H]1CC[C@H](C)N(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000831745423 601256639 /nfs/dbraw/zinc/25/66/39/601256639.db2.gz QAWBSVHPHIIQKB-RYUDHWBXSA-N -1 0 365.452 -0.499 20 0 FBADRM COCCNC(=O)[C@@H]1CC[C@@H](C)N(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC000831745424 601256561 /nfs/dbraw/zinc/25/65/61/601256561.db2.gz QAWBSVHPHIIQKB-VXGBXAGGSA-N -1 0 365.452 -0.499 20 0 FBADRM COCCN1CCN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC000831745955 601342660 /nfs/dbraw/zinc/34/26/60/601342660.db2.gz TYYYUFZICVKXRZ-UHFFFAOYSA-N -1 0 365.386 -0.121 20 0 FBADRM COCCNC(=O)CNC(=O)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000831746355 600866745 /nfs/dbraw/zinc/86/67/45/600866745.db2.gz WIIUEDHENZRICV-UHFFFAOYSA-N -1 0 365.386 -0.134 20 0 FBADRM COCCNC(=O)CNC(=O)C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000831746358 600866912 /nfs/dbraw/zinc/86/69/12/600866912.db2.gz WKIYFHZKLDSDHK-UHFFFAOYSA-N -1 0 357.388 -0.120 20 0 FBADRM COCCNC(=O)CNC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000831746389 602214052 /nfs/dbraw/zinc/21/40/52/602214052.db2.gz WWNJEUSOYDODFG-UHFFFAOYSA-N -1 0 373.387 -0.328 20 0 FBADRM COCCN1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000831746607 601342724 /nfs/dbraw/zinc/34/27/24/601342724.db2.gz YKATXPRPCZBVRN-UHFFFAOYSA-N -1 0 365.386 -0.121 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC000831746836 601271323 /nfs/dbraw/zinc/27/13/23/601271323.db2.gz ZBJRMKHJGVZILI-UHFFFAOYSA-N -1 0 350.375 -0.700 20 0 FBADRM Cn1[nH]cc2c(=NC(=O)N3CCO[C@@]4(CCS(=O)(=O)C4)C3)ccnc1-2 ZINC000831748648 661152444 /nfs/dbraw/zinc/15/24/44/661152444.db2.gz ITMCUWABYXONIU-HNNXBMFYSA-N -1 0 365.415 -0.237 20 0 FBADRM Cn1[nH]cc2c(=NC(=O)N3CCO[C@]4(CCS(=O)(=O)C4)C3)ccnc1-2 ZINC000831748649 661152256 /nfs/dbraw/zinc/15/22/56/661152256.db2.gz ITMCUWABYXONIU-OAHLLOKOSA-N -1 0 365.415 -0.237 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2CC[C@@](F)(C(=O)[O-])C2)cn1 ZINC000831752608 601731308 /nfs/dbraw/zinc/73/13/08/601731308.db2.gz CHOKMWSMNYGWGZ-AWEZNQCLSA-N -1 0 357.342 -0.324 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2CC[C@](F)(C(=O)[O-])C2)cn1 ZINC000831752633 601731170 /nfs/dbraw/zinc/73/11/70/601731170.db2.gz CHOKMWSMNYGWGZ-CQSZACIVSA-N -1 0 357.342 -0.324 20 0 FBADRM COCCNC(=O)CNS(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000831752961 601211977 /nfs/dbraw/zinc/21/19/77/601211977.db2.gz HCXLAYBJNQJWEV-UHFFFAOYSA-N -1 0 352.390 -0.504 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H](CC(=O)[O-])C2CC2)c1 ZINC000831753021 661152424 /nfs/dbraw/zinc/15/24/24/661152424.db2.gz JMQCUISXCBYCEJ-LLVKDONJSA-N -1 0 359.404 -0.078 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H](CC(=O)[O-])C2CC2)c1 ZINC000831753022 661152479 /nfs/dbraw/zinc/15/24/79/661152479.db2.gz JMQCUISXCBYCEJ-NSHDSACASA-N -1 0 359.404 -0.078 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@](C)(C(=O)[O-])C2CC2)c1 ZINC000831753051 600962055 /nfs/dbraw/zinc/96/20/55/600962055.db2.gz LPEGQPFLMPBIOJ-AWEZNQCLSA-N -1 0 359.404 -0.078 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)c1 ZINC000831753052 600962137 /nfs/dbraw/zinc/96/21/37/600962137.db2.gz LPEGQPFLMPBIOJ-CQSZACIVSA-N -1 0 359.404 -0.078 20 0 FBADRM COCCNC(=O)CNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000831753064 601568053 /nfs/dbraw/zinc/56/80/53/601568053.db2.gz MQFMPSCTJHYLIH-UHFFFAOYSA-N -1 0 352.315 -0.296 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@](C)(COC)C(=O)[O-])c1 ZINC000831753070 601695435 /nfs/dbraw/zinc/69/54/35/601695435.db2.gz MYOYMRLZJIIRAY-CYBMUJFWSA-N -1 0 363.392 -0.841 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@](C)(COC)C(=O)[O-])c1 ZINC000831753071 601695516 /nfs/dbraw/zinc/69/55/16/601695516.db2.gz MYOYMRLZJIIRAY-ZDUSSCGKSA-N -1 0 363.392 -0.841 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000831753346 601710634 /nfs/dbraw/zinc/71/06/34/601710634.db2.gz OMSVLBWVRXEZRZ-CYBMUJFWSA-N -1 0 363.367 -0.422 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000831753354 601710743 /nfs/dbraw/zinc/71/07/43/601710743.db2.gz OMSVLBWVRXEZRZ-ZDUSSCGKSA-N -1 0 363.367 -0.422 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)Nc2ccn(CC(=O)[O-])n2)cn1 ZINC000831753387 601062258 /nfs/dbraw/zinc/06/22/58/601062258.db2.gz PEYNLEUOIXZCLP-UHFFFAOYSA-N -1 0 365.350 -0.429 20 0 FBADRM COCCNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1C(=O)OC ZINC000831753418 601188990 /nfs/dbraw/zinc/18/89/90/601188990.db2.gz QIKGWYHLDCBGHA-UHFFFAOYSA-N -1 0 374.371 -0.788 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2CCO[C@H](CC(=O)[O-])C2)cn1 ZINC000831753423 601731317 /nfs/dbraw/zinc/73/13/17/601731317.db2.gz QQPOQMKSRHWABX-GFCCVEGCSA-N -1 0 369.378 -0.647 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cn1 ZINC000831753424 601731086 /nfs/dbraw/zinc/73/10/86/601731086.db2.gz QQPOQMKSRHWABX-LBPRGKRZSA-N -1 0 369.378 -0.647 20 0 FBADRM COCCNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC000831753439 601188981 /nfs/dbraw/zinc/18/89/81/601188981.db2.gz RYFVEJUWFROLPA-UHFFFAOYSA-N -1 0 374.371 -0.788 20 0 FBADRM COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000831753454 601338909 /nfs/dbraw/zinc/33/89/09/601338909.db2.gz TZNNEEDWQPWGOZ-UHFFFAOYSA-N -1 0 373.387 -0.859 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)cn1 ZINC000831753468 602009442 /nfs/dbraw/zinc/00/94/42/602009442.db2.gz UPGXDNAYWAHIJT-HNNXBMFYSA-N -1 0 353.379 -0.026 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cn1 ZINC000831753469 602009355 /nfs/dbraw/zinc/00/93/55/602009355.db2.gz UPGXDNAYWAHIJT-OAHLLOKOSA-N -1 0 353.379 -0.026 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000831753778 601761123 /nfs/dbraw/zinc/76/11/23/601761123.db2.gz VJSQPHPJQZKHNU-GXSJLCMTSA-N -1 0 359.404 -0.268 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000831753779 601761141 /nfs/dbraw/zinc/76/11/41/601761141.db2.gz VJSQPHPJQZKHNU-KOLCDFICSA-N -1 0 359.404 -0.268 20 0 FBADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000831753780 601761099 /nfs/dbraw/zinc/76/10/99/601761099.db2.gz VJSQPHPJQZKHNU-ONGXEEELSA-N -1 0 359.404 -0.268 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1 ZINC000831753783 601315971 /nfs/dbraw/zinc/31/59/71/601315971.db2.gz VRAACHHKLFHUGE-LLVKDONJSA-N -1 0 353.379 -0.026 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)cn1 ZINC000831753784 601315832 /nfs/dbraw/zinc/31/58/32/601315832.db2.gz VRAACHHKLFHUGE-NSHDSACASA-N -1 0 353.379 -0.026 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)cn1 ZINC000831753814 601796937 /nfs/dbraw/zinc/79/69/37/601796937.db2.gz XWOCOFHVBGTJHJ-CMPLNLGQSA-N -1 0 353.379 -0.170 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)cn1 ZINC000831753815 601797083 /nfs/dbraw/zinc/79/70/83/601797083.db2.gz XWOCOFHVBGTJHJ-JQWIXIFHSA-N -1 0 353.379 -0.170 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)cn1 ZINC000831753816 601796923 /nfs/dbraw/zinc/79/69/23/601796923.db2.gz XWOCOFHVBGTJHJ-PWSUYJOCSA-N -1 0 353.379 -0.170 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cn1 ZINC000831753817 601796855 /nfs/dbraw/zinc/79/68/55/601796855.db2.gz XWOCOFHVBGTJHJ-ZYHUDNBSSA-N -1 0 353.379 -0.170 20 0 FBADRM COCCNC(=O)CNS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)[O-] ZINC000831753825 601188915 /nfs/dbraw/zinc/18/89/15/601188915.db2.gz YOIRKIQKRUKLRC-UHFFFAOYSA-N -1 0 374.371 -0.788 20 0 FBADRM O=C([O-])N1CCC(NC(=O)C(=O)Nc2ccc(-n3cncn3)nc2)CC1 ZINC000831756427 604173733 /nfs/dbraw/zinc/17/37/33/604173733.db2.gz AXMVDHLTRDTTKS-UHFFFAOYSA-N -1 0 359.346 -0.141 20 0 FBADRM COCCOCC(=O)NC1CCC(C(=O)N2CCOC[C@@H]2C(=O)[O-])CC1 ZINC000831756783 601608431 /nfs/dbraw/zinc/60/84/31/601608431.db2.gz AMQUQNOOSLGLJA-JXQTWKCFSA-N -1 0 372.418 -0.364 20 0 FBADRM COCCOCC(=O)NC1CCC(C(=O)N2CCOC[C@H]2C(=O)[O-])CC1 ZINC000831756784 601608243 /nfs/dbraw/zinc/60/82/43/601608243.db2.gz AMQUQNOOSLGLJA-RUXDESIVSA-N -1 0 372.418 -0.364 20 0 FBADRM O=C([O-])N1CCC(NC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 ZINC000831757285 604176195 /nfs/dbraw/zinc/17/61/95/604176195.db2.gz KQCQIODOPFPLEC-UHFFFAOYSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000831758439 603648091 /nfs/dbraw/zinc/64/80/91/603648091.db2.gz ZHTKYSAAENDTKJ-NEPJUHHUSA-N -1 0 362.342 -0.210 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000831758440 603647982 /nfs/dbraw/zinc/64/79/82/603647982.db2.gz ZHTKYSAAENDTKJ-NWDGAFQWSA-N -1 0 362.342 -0.210 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000831758441 603648035 /nfs/dbraw/zinc/64/80/35/603648035.db2.gz ZHTKYSAAENDTKJ-RYUDHWBXSA-N -1 0 362.342 -0.210 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000831758442 603647971 /nfs/dbraw/zinc/64/79/71/603647971.db2.gz ZHTKYSAAENDTKJ-VXGBXAGGSA-N -1 0 362.342 -0.210 20 0 FBADRM O=C([O-])N1CCC(NC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC1 ZINC000831758519 604173634 /nfs/dbraw/zinc/17/36/34/604173634.db2.gz ZYNSTUZVCKHWLF-UHFFFAOYSA-N -1 0 359.346 -0.141 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H]2COC3(CCOCC3)O2)c1 ZINC000831770328 661152245 /nfs/dbraw/zinc/15/22/45/661152245.db2.gz IKDDKBJFEAMQOQ-JTQLQIEISA-N -1 0 372.399 -0.309 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H]2COC3(CCOCC3)O2)c1 ZINC000831770329 661152459 /nfs/dbraw/zinc/15/24/59/661152459.db2.gz IKDDKBJFEAMQOQ-SNVBAGLBSA-N -1 0 372.399 -0.309 20 0 FBADRM O=C([O-])N1CCc2ccc(NC(=O)C(=O)N3C[C@H](O)C[C@H](O)C3)cc2C1 ZINC000831772402 603722078 /nfs/dbraw/zinc/72/20/78/603722078.db2.gz CUFIVNSNAFEUOI-OKILXGFUSA-N -1 0 363.370 -0.385 20 0 FBADRM O=C([O-])N1CCc2ccc(NC(=O)C(=O)N3CCO[C@H](CO)C3)cc2C1 ZINC000831772697 604075222 /nfs/dbraw/zinc/07/52/22/604075222.db2.gz MONAEYGXAUKAEP-AWEZNQCLSA-N -1 0 363.370 -0.119 20 0 FBADRM O=C([O-])N1CCc2ccc(NC(=O)C(=O)N3CCO[C@@H](CO)C3)cc2C1 ZINC000831772698 604075153 /nfs/dbraw/zinc/07/51/53/604075153.db2.gz MONAEYGXAUKAEP-CQSZACIVSA-N -1 0 363.370 -0.119 20 0 FBADRM O=C([O-])N1CCc2cc(NC(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)ccc21 ZINC000831772774 603725887 /nfs/dbraw/zinc/72/58/87/603725887.db2.gz OWHXUDKNTDPJPZ-GFCCVEGCSA-N -1 0 373.369 -0.098 20 0 FBADRM O=C([O-])N1CCc2cc(NC(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)ccc21 ZINC000831772775 603726321 /nfs/dbraw/zinc/72/63/21/603726321.db2.gz OWHXUDKNTDPJPZ-LBPRGKRZSA-N -1 0 373.369 -0.098 20 0 FBADRM COCCOc1ccc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)cn1 ZINC000831773398 600713798 /nfs/dbraw/zinc/71/37/98/600713798.db2.gz CDBZJTAQRWPKNC-UHFFFAOYSA-N -1 0 370.387 -0.134 20 0 FBADRM COCCOc1ccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)cn1 ZINC000831773438 601493305 /nfs/dbraw/zinc/49/33/05/601493305.db2.gz FEBUUZSEOMFQCU-GFCCVEGCSA-N -1 0 367.358 -0.253 20 0 FBADRM COCCOc1ccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cn1 ZINC000831773439 601493372 /nfs/dbraw/zinc/49/33/72/601493372.db2.gz FEBUUZSEOMFQCU-LBPRGKRZSA-N -1 0 367.358 -0.253 20 0 FBADRM O=C([O-])N1CCN(C(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CC1 ZINC000831777650 604561383 /nfs/dbraw/zinc/56/13/83/604561383.db2.gz CSWBBJRMERQQHJ-UHFFFAOYSA-N -1 0 367.383 -0.223 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C1 ZINC000831777778 604563950 /nfs/dbraw/zinc/56/39/50/604563950.db2.gz DOOKZOIEEULFTN-LLVKDONJSA-N -1 0 367.383 -0.177 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C1 ZINC000831777779 604563848 /nfs/dbraw/zinc/56/38/48/604563848.db2.gz DOOKZOIEEULFTN-NSHDSACASA-N -1 0 367.383 -0.177 20 0 FBADRM O=C([O-])N1CCC(NC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1 ZINC000831778475 604173806 /nfs/dbraw/zinc/17/38/06/604173806.db2.gz RGKFYMMMOJKLOQ-UHFFFAOYSA-N -1 0 359.346 -0.141 20 0 FBADRM CC(C)(C)OC(=O)NCCn1cc(C(=O)[N-]N2CCCNC2=O)nn1 ZINC000831785340 661152714 /nfs/dbraw/zinc/15/27/14/661152714.db2.gz PDYUHWPVFJBWPM-UHFFFAOYSA-N -1 0 353.383 -0.137 20 0 FBADRM COCCOc1ncccc1NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000831788403 601491016 /nfs/dbraw/zinc/49/10/16/601491016.db2.gz RWMMNWZDJRMHEF-LLVKDONJSA-N -1 0 367.358 -0.253 20 0 FBADRM COCCOc1ncccc1NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000831788404 601491114 /nfs/dbraw/zinc/49/11/14/601491114.db2.gz RWMMNWZDJRMHEF-NSHDSACASA-N -1 0 367.358 -0.253 20 0 FBADRM COCCS(=O)(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000831788419 601959903 /nfs/dbraw/zinc/95/99/03/601959903.db2.gz SPPCQFUGHUYEEB-UHFFFAOYSA-N -1 0 365.429 -0.248 20 0 FBADRM O=C([O-])N1CCc2c(cccc2NC(=O)C(=O)N2CCO[C@@H](CO)C2)C1 ZINC000831788705 604075068 /nfs/dbraw/zinc/07/50/68/604075068.db2.gz FEYAKDNAGBTYTA-GFCCVEGCSA-N -1 0 363.370 -0.119 20 0 FBADRM O=C([O-])N1CCc2c(cccc2NC(=O)C(=O)N2CCO[C@H](CO)C2)C1 ZINC000831788706 604075045 /nfs/dbraw/zinc/07/50/45/604075045.db2.gz FEYAKDNAGBTYTA-LBPRGKRZSA-N -1 0 363.370 -0.119 20 0 FBADRM O=C([O-])N1CCc2c1cccc2NC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000831789189 604026707 /nfs/dbraw/zinc/02/67/07/604026707.db2.gz OJEOKEXDXBMMPR-SECBINFHSA-N -1 0 367.383 -0.031 20 0 FBADRM O=C([O-])N1CCc2c1cccc2NC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000831789190 604026571 /nfs/dbraw/zinc/02/65/71/604026571.db2.gz OJEOKEXDXBMMPR-VIFPVBQESA-N -1 0 367.383 -0.031 20 0 FBADRM O=C([O-])N1CCc2c(cccc2NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)C1 ZINC000831789248 603722223 /nfs/dbraw/zinc/72/22/23/603722223.db2.gz PZSIOMXDBSLSIB-TXEJJXNPSA-N -1 0 363.370 -0.385 20 0 FBADRM O=C([O-])N1CCc2c1cccc2NC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000831789453 604040592 /nfs/dbraw/zinc/04/05/92/604040592.db2.gz RIXWTXAGOKRQME-JTQLQIEISA-N -1 0 373.369 -0.098 20 0 FBADRM O=C([O-])N1CCc2c1cccc2NC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000831789455 604040375 /nfs/dbraw/zinc/04/03/75/604040375.db2.gz RIXWTXAGOKRQME-SNVBAGLBSA-N -1 0 373.369 -0.098 20 0 FBADRM O=C([O-])N1CCc2c1cccc2NC(=O)C(=O)N1CCS(=O)(=O)CC1 ZINC000831789502 604036525 /nfs/dbraw/zinc/03/65/25/604036525.db2.gz SMPYBCRESILIKV-UHFFFAOYSA-N -1 0 367.383 -0.077 20 0 FBADRM COCCc1nnc(SCC(=O)Nc2nc(CC(=O)[O-])cs2)n1N ZINC000831796047 600845943 /nfs/dbraw/zinc/84/59/43/600845943.db2.gz ZBSQQMWCMLEJIV-UHFFFAOYSA-N -1 0 372.432 -0.005 20 0 FBADRM COCCn1c(C)c(C)nc1S(=O)(=O)CCc1cn(CC(=O)[O-])nn1 ZINC000831799930 604776247 /nfs/dbraw/zinc/77/62/47/604776247.db2.gz BGDPYJPIEZUQKE-UHFFFAOYSA-N -1 0 371.419 -0.161 20 0 FBADRM COCCn1cc(NC(=O)C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cn1 ZINC000831799999 601171536 /nfs/dbraw/zinc/17/15/36/601171536.db2.gz CWJTUJCOVGUEKQ-GFCCVEGCSA-N -1 0 367.406 -0.525 20 0 FBADRM COCCn1cc(NC(=O)C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cn1 ZINC000831800001 601171185 /nfs/dbraw/zinc/17/11/85/601171185.db2.gz CWJTUJCOVGUEKQ-LBPRGKRZSA-N -1 0 367.406 -0.525 20 0 FBADRM O=C([O-])N1CCC(NC(=O)C(=O)Nc2cccnc2-n2cncn2)CC1 ZINC000831801935 604174732 /nfs/dbraw/zinc/17/47/32/604174732.db2.gz BAKIYEFRJZWMBY-UHFFFAOYSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000831802193 604926259 /nfs/dbraw/zinc/92/62/59/604926259.db2.gz FVFSJVIDIJSVCX-LLVKDONJSA-N -1 0 367.362 -0.941 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000831802195 604925940 /nfs/dbraw/zinc/92/59/40/604925940.db2.gz FVFSJVIDIJSVCX-NSHDSACASA-N -1 0 367.362 -0.941 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000831802225 603776662 /nfs/dbraw/zinc/77/66/62/603776662.db2.gz GPNWVSRBXXSQDO-NEPJUHHUSA-N -1 0 353.379 -0.733 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000831802227 603776518 /nfs/dbraw/zinc/77/65/18/603776518.db2.gz GPNWVSRBXXSQDO-NWDGAFQWSA-N -1 0 353.379 -0.733 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000831802228 603776537 /nfs/dbraw/zinc/77/65/37/603776537.db2.gz GPNWVSRBXXSQDO-RYUDHWBXSA-N -1 0 353.379 -0.733 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000831802229 603776441 /nfs/dbraw/zinc/77/64/41/603776441.db2.gz GPNWVSRBXXSQDO-VXGBXAGGSA-N -1 0 353.379 -0.733 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000831802564 604865092 /nfs/dbraw/zinc/86/50/92/604865092.db2.gz LZIVVHWUIWIHLR-GFCCVEGCSA-N -1 0 353.379 -0.467 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000831802565 604864912 /nfs/dbraw/zinc/86/49/12/604864912.db2.gz LZIVVHWUIWIHLR-LBPRGKRZSA-N -1 0 353.379 -0.467 20 0 FBADRM O=C([O-])N1CC(NC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000831802965 604474011 /nfs/dbraw/zinc/47/40/11/604474011.db2.gz VVROSJLUFSYCCV-UHFFFAOYSA-N -1 0 352.351 -0.774 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)C1 ZINC000831805152 604971252 /nfs/dbraw/zinc/97/12/52/604971252.db2.gz AANNWJITLIOUAM-NXEZZACHSA-N -1 0 358.376 -0.440 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)C1 ZINC000831805153 604971522 /nfs/dbraw/zinc/97/15/22/604971522.db2.gz AANNWJITLIOUAM-UWVGGRQHSA-N -1 0 358.376 -0.440 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)C1 ZINC000831805154 604971591 /nfs/dbraw/zinc/97/15/91/604971591.db2.gz AANNWJITLIOUAM-VHSXEESVSA-N -1 0 358.376 -0.440 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)C1 ZINC000831805155 604971638 /nfs/dbraw/zinc/97/16/38/604971638.db2.gz AANNWJITLIOUAM-ZJUUUORDSA-N -1 0 358.376 -0.440 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000831805227 603563962 /nfs/dbraw/zinc/56/39/62/603563962.db2.gz BRINNVAPCLBJTI-LLVKDONJSA-N -1 0 366.378 -0.384 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000831805228 603563957 /nfs/dbraw/zinc/56/39/57/603563957.db2.gz BRINNVAPCLBJTI-NSHDSACASA-N -1 0 366.378 -0.384 20 0 FBADRM O=C([O-])N1CCC[C@H](NC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000831805502 605687641 /nfs/dbraw/zinc/68/76/41/605687641.db2.gz DNUMAPOAVHRFBC-JTQLQIEISA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CCC[C@@H](NC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000831805504 604146543 /nfs/dbraw/zinc/14/65/43/604146543.db2.gz DNUMAPOAVHRFBC-SNVBAGLBSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CCC(NC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CC1 ZINC000831805530 604148273 /nfs/dbraw/zinc/14/82/73/604148273.db2.gz DRIJFRAGCJJWKZ-UHFFFAOYSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000831805932 604828648 /nfs/dbraw/zinc/82/86/48/604828648.db2.gz GVBMVVXDEBEGAR-CYBMUJFWSA-N -1 0 353.379 -0.467 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000831805933 604828740 /nfs/dbraw/zinc/82/87/40/604828740.db2.gz GVBMVVXDEBEGAR-ZDUSSCGKSA-N -1 0 353.379 -0.467 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1 ZINC000831806133 604911093 /nfs/dbraw/zinc/91/10/93/604911093.db2.gz KHHVQOJOUCYYHA-CMPLNLGQSA-N -1 0 351.363 -0.131 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1 ZINC000831806134 604910875 /nfs/dbraw/zinc/91/08/75/604910875.db2.gz KHHVQOJOUCYYHA-JQWIXIFHSA-N -1 0 351.363 -0.131 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1 ZINC000831806135 604910686 /nfs/dbraw/zinc/91/06/86/604910686.db2.gz KHHVQOJOUCYYHA-PWSUYJOCSA-N -1 0 351.363 -0.131 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1 ZINC000831806136 604910851 /nfs/dbraw/zinc/91/08/51/604910851.db2.gz KHHVQOJOUCYYHA-ZYHUDNBSSA-N -1 0 351.363 -0.131 20 0 FBADRM O=C([O-])N1CC(NC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000831806532 604478960 /nfs/dbraw/zinc/47/89/60/604478960.db2.gz QEBMJFQAJSNZDX-UHFFFAOYSA-N -1 0 352.351 -0.774 20 0 FBADRM O=C([O-])N1CCN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 ZINC000831806732 604904816 /nfs/dbraw/zinc/90/48/16/604904816.db2.gz STBRVPYUVGYSGU-GFCCVEGCSA-N -1 0 351.363 -0.177 20 0 FBADRM O=C([O-])N1CCN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1 ZINC000831806733 604904799 /nfs/dbraw/zinc/90/47/99/604904799.db2.gz STBRVPYUVGYSGU-LBPRGKRZSA-N -1 0 351.363 -0.177 20 0 FBADRM O=C([O-])N1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CC1 ZINC000831806782 604144976 /nfs/dbraw/zinc/14/49/76/604144976.db2.gz VFMPGVXOXVZKBI-UHFFFAOYSA-N -1 0 359.346 -0.187 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000831806943 604951662 /nfs/dbraw/zinc/95/16/62/604951662.db2.gz WZEKIXAVBLOCPW-GFCCVEGCSA-N -1 0 367.362 -0.941 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000831806944 604951577 /nfs/dbraw/zinc/95/15/77/604951577.db2.gz WZEKIXAVBLOCPW-LBPRGKRZSA-N -1 0 367.362 -0.941 20 0 FBADRM COCCn1ccc(NC(=O)C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)n1 ZINC000831807561 601629744 /nfs/dbraw/zinc/62/97/44/601629744.db2.gz ODHOTLHEMPGAKI-GFCCVEGCSA-N -1 0 367.406 -0.525 20 0 FBADRM COCCn1ccc(NC(=O)C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)n1 ZINC000831807562 601629711 /nfs/dbraw/zinc/62/97/11/601629711.db2.gz ODHOTLHEMPGAKI-LBPRGKRZSA-N -1 0 367.406 -0.525 20 0 FBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)C3CCS(=O)(=O)CC3)n2)CC1 ZINC000831810461 603954996 /nfs/dbraw/zinc/95/49/96/603954996.db2.gz NMTPKEAIGQEZMB-UHFFFAOYSA-N -1 0 372.407 -0.632 20 0 FBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)[C@@H]3CC(=O)N(C4CC4)C3)n2)CC1 ZINC000831810793 603956658 /nfs/dbraw/zinc/95/66/58/603956658.db2.gz SMNNZTPCIHBKMA-SECBINFHSA-N -1 0 363.378 -0.446 20 0 FBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)[C@H]3CC(=O)N(C4CC4)C3)n2)CC1 ZINC000831810798 603956388 /nfs/dbraw/zinc/95/63/88/603956388.db2.gz SMNNZTPCIHBKMA-VIFPVBQESA-N -1 0 363.378 -0.446 20 0 FBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)c3nccn4ccnc34)n2)CC1 ZINC000831815071 603956477 /nfs/dbraw/zinc/95/64/77/603956477.db2.gz AEEJWANRZJIIMX-UHFFFAOYSA-N -1 0 357.334 -0.100 20 0 FBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)c3ccc4nncn4c3)n2)CC1 ZINC000831815441 603962209 /nfs/dbraw/zinc/96/22/09/603962209.db2.gz IRBWYXCCFYDGCX-UHFFFAOYSA-N -1 0 357.334 -0.100 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000831815498 603672375 /nfs/dbraw/zinc/67/23/75/603672375.db2.gz KSRJKVWMBUGYIJ-NXEZZACHSA-N -1 0 369.403 -0.172 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000831815499 603672381 /nfs/dbraw/zinc/67/23/81/603672381.db2.gz KSRJKVWMBUGYIJ-UWVGGRQHSA-N -1 0 369.403 -0.172 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000831815500 603672275 /nfs/dbraw/zinc/67/22/75/603672275.db2.gz KSRJKVWMBUGYIJ-VHSXEESVSA-N -1 0 369.403 -0.172 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000831815501 603672426 /nfs/dbraw/zinc/67/24/26/603672426.db2.gz KSRJKVWMBUGYIJ-ZJUUUORDSA-N -1 0 369.403 -0.172 20 0 FBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)c3cnn4cccnc34)n2)CC1 ZINC000831815871 603955100 /nfs/dbraw/zinc/95/51/00/603955100.db2.gz USYGHEQSLCWJPZ-UHFFFAOYSA-N -1 0 357.334 -0.100 20 0 FBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)c3cn4cccnc4n3)n2)CC1 ZINC000831816048 603959949 /nfs/dbraw/zinc/95/99/49/603959949.db2.gz YHDWHWZHEMOZAR-UHFFFAOYSA-N -1 0 357.334 -0.100 20 0 FBADRM O=C([O-])N(CC(=O)N1CCN(CCn2cncn2)CC1)C[C@@H]1CCCO1 ZINC000831819906 603451315 /nfs/dbraw/zinc/45/13/15/603451315.db2.gz AZPXQFYPPSYRHO-AWEZNQCLSA-N -1 0 366.422 -0.419 20 0 FBADRM O=C([O-])N(CC(=O)N1CCN(CCn2cncn2)CC1)C[C@H]1CCCO1 ZINC000831819908 603451091 /nfs/dbraw/zinc/45/10/91/603451091.db2.gz AZPXQFYPPSYRHO-CQSZACIVSA-N -1 0 366.422 -0.419 20 0 FBADRM O=C([O-])N(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)CC1CC1 ZINC000831819917 603243510 /nfs/dbraw/zinc/24/35/10/603243510.db2.gz BEHQCNKIFFVHAR-UHFFFAOYSA-N -1 0 368.434 -0.621 20 0 FBADRM O=C([O-])N(CC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)CC1CC1 ZINC000831820389 603353232 /nfs/dbraw/zinc/35/32/32/603353232.db2.gz IXZLLNYKMXZDEZ-UHFFFAOYSA-N -1 0 366.418 -0.330 20 0 FBADRM O=C([O-])N(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)CC1CC1 ZINC000831821355 603244650 /nfs/dbraw/zinc/24/46/50/603244650.db2.gz SBPAEHVBGRGUIN-CYBMUJFWSA-N -1 0 359.448 -0.292 20 0 FBADRM O=C([O-])N(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)CC1CC1 ZINC000831821357 603244715 /nfs/dbraw/zinc/24/47/15/603244715.db2.gz SBPAEHVBGRGUIN-ZDUSSCGKSA-N -1 0 359.448 -0.292 20 0 FBADRM O=C([O-])N(CC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)CC1CC1 ZINC000831821930 603268906 /nfs/dbraw/zinc/26/89/06/603268906.db2.gz ZVMRDLOLIDVPRY-UHFFFAOYSA-N -1 0 368.434 -0.621 20 0 FBADRM COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000831830986 602177270 /nfs/dbraw/zinc/17/72/70/602177270.db2.gz CFGXLUNISRTJNR-LLVKDONJSA-N -1 0 373.435 -0.110 20 0 FBADRM COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000831830987 602177097 /nfs/dbraw/zinc/17/70/97/602177097.db2.gz CFGXLUNISRTJNR-NSHDSACASA-N -1 0 373.435 -0.110 20 0 FBADRM COCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)CC2 ZINC000831831286 601994799 /nfs/dbraw/zinc/99/47/99/601994799.db2.gz HYCQPVFLIZBNCZ-SECBINFHSA-N -1 0 369.403 -0.246 20 0 FBADRM COCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)CC2 ZINC000831831288 601994758 /nfs/dbraw/zinc/99/47/58/601994758.db2.gz HYCQPVFLIZBNCZ-VIFPVBQESA-N -1 0 369.403 -0.246 20 0 FBADRM COCc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)CC2 ZINC000831831695 601932632 /nfs/dbraw/zinc/93/26/32/601932632.db2.gz OQHUXYCQXHPNSM-GHMZBOCLSA-N -1 0 353.379 -0.376 20 0 FBADRM COCc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@@H](CC(=O)[O-])C1)CC2 ZINC000831831696 601932714 /nfs/dbraw/zinc/93/27/14/601932714.db2.gz OQHUXYCQXHPNSM-MNOVXSKESA-N -1 0 353.379 -0.376 20 0 FBADRM COCc1nc2n(n1)C[C@@H](NC(=O)N1CCO[C@@H](CC(=O)[O-])C1)CC2 ZINC000831831697 601932870 /nfs/dbraw/zinc/93/28/70/601932870.db2.gz OQHUXYCQXHPNSM-QWRGUYRKSA-N -1 0 353.379 -0.376 20 0 FBADRM COCc1nc2n(n1)C[C@@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)CC2 ZINC000831831698 601932741 /nfs/dbraw/zinc/93/27/41/601932741.db2.gz OQHUXYCQXHPNSM-WDEREUQCSA-N -1 0 353.379 -0.376 20 0 FBADRM COCc1nc2n(n1)C[C@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)CC2 ZINC000831832043 601995281 /nfs/dbraw/zinc/99/52/81/601995281.db2.gz URCHPUCWHJPGHH-MRVPVSSYSA-N -1 0 355.376 -0.256 20 0 FBADRM COCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)CC2 ZINC000831832047 601995313 /nfs/dbraw/zinc/99/53/13/601995313.db2.gz URCHPUCWHJPGHH-QMMMGPOBSA-N -1 0 355.376 -0.256 20 0 FBADRM COCc1nc2n(n1)C[C@@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)CC2 ZINC000831832246 601995312 /nfs/dbraw/zinc/99/53/12/601995312.db2.gz YGIXLMJHZXCUPZ-JTQLQIEISA-N -1 0 358.420 -0.086 20 0 FBADRM COCc1nc2n(n1)C[C@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)CC2 ZINC000831832247 601995297 /nfs/dbraw/zinc/99/52/97/601995297.db2.gz YGIXLMJHZXCUPZ-SNVBAGLBSA-N -1 0 358.420 -0.086 20 0 FBADRM CON(C)C(=O)[C@H](CCSC)NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000831836453 602221525 /nfs/dbraw/zinc/22/15/25/602221525.db2.gz GUAYHKSWBGRIQM-VIFPVBQESA-N -1 0 357.454 -0.631 20 0 FBADRM CON(C)C(=O)CN1C(C(=O)[O-])=NC2=NS(=O)(=O)c3ccccc3N21 ZINC000831837096 601973288 /nfs/dbraw/zinc/97/32/88/601973288.db2.gz VZSASSUJGSBDJD-UHFFFAOYSA-N -1 0 367.343 -0.715 20 0 FBADRM CO[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)C1 ZINC000831841517 601487339 /nfs/dbraw/zinc/48/73/39/601487339.db2.gz DKTSEBLBKKLFIR-CYBMUJFWSA-N -1 0 363.370 -0.384 20 0 FBADRM CO[C@H]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)C1 ZINC000831841518 601487275 /nfs/dbraw/zinc/48/72/75/601487275.db2.gz DKTSEBLBKKLFIR-ZDUSSCGKSA-N -1 0 363.370 -0.384 20 0 FBADRM O=C([O-])N1CC(CC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000831842015 603668718 /nfs/dbraw/zinc/66/87/18/603668718.db2.gz LSFYYQKENGFYQU-UHFFFAOYSA-N -1 0 352.391 -0.721 20 0 FBADRM O=C([O-])N1CC(CC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC000831842075 603859690 /nfs/dbraw/zinc/85/96/90/603859690.db2.gz NKEFSDGCPGSHDS-UHFFFAOYSA-N -1 0 372.403 -0.352 20 0 FBADRM O=C([O-])N1CC(NC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000831846339 604620497 /nfs/dbraw/zinc/62/04/97/604620497.db2.gz AISHNAASELORRU-UHFFFAOYSA-N -1 0 353.423 -0.312 20 0 FBADRM O=C([O-])N1CC(NC(=O)N2CCc3ncnc(N4CCOCC4)c3C2)C1 ZINC000831846373 604604819 /nfs/dbraw/zinc/60/48/19/604604819.db2.gz BKJSMGKYKOPRIX-UHFFFAOYSA-N -1 0 362.390 -0.257 20 0 FBADRM O=C([O-])N1CC(NC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC000831846629 604622041 /nfs/dbraw/zinc/62/20/41/604622041.db2.gz JQVPGZAZJYAYTM-UHFFFAOYSA-N -1 0 373.391 -0.806 20 0 FBADRM O=C([O-])N1CC(NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000831852159 604413498 /nfs/dbraw/zinc/41/34/98/604413498.db2.gz KSPRJEJYRGHROD-UHFFFAOYSA-N -1 0 363.417 -0.754 20 0 FBADRM O=C([O-])N1CC(OCC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000831852354 603745034 /nfs/dbraw/zinc/74/50/34/603745034.db2.gz OIZATBGRHUGEDM-GFCCVEGCSA-N -1 0 355.391 -0.537 20 0 FBADRM O=C([O-])N1CC(OCC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000831852355 603745065 /nfs/dbraw/zinc/74/50/65/603745065.db2.gz OIZATBGRHUGEDM-LBPRGKRZSA-N -1 0 355.391 -0.537 20 0 FBADRM O=C([O-])N1CC(OCC(=O)N2CCC(C(=O)N3CCOCC3)CC2)C1 ZINC000831852791 603745071 /nfs/dbraw/zinc/74/50/71/603745071.db2.gz VARYNXPDJZKCMZ-UHFFFAOYSA-N -1 0 355.391 -0.537 20 0 FBADRM O=C([O-])N1CC(NS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000831852936 604413594 /nfs/dbraw/zinc/41/35/94/604413594.db2.gz XSYGIVZRFSUBTO-UHFFFAOYSA-N -1 0 369.399 -0.201 20 0 FBADRM O=C([O-])N1CC(OCC(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1 ZINC000831857879 603996517 /nfs/dbraw/zinc/99/65/17/603996517.db2.gz HDFLUNFSNVTJEH-UHFFFAOYSA-N -1 0 364.358 -0.550 20 0 FBADRM O=C([O-])N1CC(OCC(=O)N2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000831857887 604012881 /nfs/dbraw/zinc/01/28/81/604012881.db2.gz HMMAYRHVESWXFE-UHFFFAOYSA-N -1 0 361.362 -0.848 20 0 FBADRM O=C([O-])N1CC(OCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000831858604 603764030 /nfs/dbraw/zinc/76/40/30/603764030.db2.gz OETOIUMEJLVJSJ-UHFFFAOYSA-N -1 0 354.407 -0.868 20 0 FBADRM O=C([O-])N1CC2(C1)CC(=O)N(CN(C1CC1)[C@@H]1CCS(=O)(=O)C1)C2 ZINC000831858872 603585373 /nfs/dbraw/zinc/58/53/73/603585373.db2.gz PXRZUXUJNZNRKA-GFCCVEGCSA-N -1 0 357.432 -0.192 20 0 FBADRM O=C([O-])N1CC2(C1)CC(=O)N(CN(C1CC1)[C@H]1CCS(=O)(=O)C1)C2 ZINC000831858875 603585020 /nfs/dbraw/zinc/58/50/20/603585020.db2.gz PXRZUXUJNZNRKA-LBPRGKRZSA-N -1 0 357.432 -0.192 20 0 FBADRM O=C([O-])N1CC(OCC(=O)N2CCCN(CC(=O)N3CCCC3)CC2)C1 ZINC000831858933 603746621 /nfs/dbraw/zinc/74/66/21/603746621.db2.gz QZJBMWBLJQIVBM-UHFFFAOYSA-N -1 0 368.434 -0.478 20 0 FBADRM O=C([O-])N1CC2(C1)CC(=O)N(CN1CCN(C(=O)N3CCCC3)CC1)C2 ZINC000831859091 603585123 /nfs/dbraw/zinc/58/51/23/603585123.db2.gz SBQSPVANJADVRS-UHFFFAOYSA-N -1 0 365.434 -0.010 20 0 FBADRM O=C([O-])N1CC(OCC(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000831859310 603998571 /nfs/dbraw/zinc/99/85/71/603998571.db2.gz WIJGHNHPUNOEGH-CYBMUJFWSA-N -1 0 355.391 -0.395 20 0 FBADRM O=C([O-])N1CC(OCC(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000831859311 603998333 /nfs/dbraw/zinc/99/83/33/603998333.db2.gz WIJGHNHPUNOEGH-ZDUSSCGKSA-N -1 0 355.391 -0.395 20 0 FBADRM O=C([O-])N1CC(OCC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000831859384 603743431 /nfs/dbraw/zinc/74/34/31/603743431.db2.gz ZRCJHJUPAOKAIZ-UHFFFAOYSA-N -1 0 368.434 -0.478 20 0 FBADRM O=C([O-])N1CC[C@@H](C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC000831862680 603073342 /nfs/dbraw/zinc/07/33/42/603073342.db2.gz BNTZKQPZBCMLMH-LLVKDONJSA-N -1 0 372.403 -0.352 20 0 FBADRM O=C([O-])N1CC[C@H](C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC000831862681 603073663 /nfs/dbraw/zinc/07/36/63/603073663.db2.gz BNTZKQPZBCMLMH-NSHDSACASA-N -1 0 372.403 -0.352 20 0 FBADRM O=C([O-])N1CC2(C1)CC(=O)N(CN1CCO[C@@H](Cn3cncn3)C1)C2 ZINC000831863199 603592546 /nfs/dbraw/zinc/59/25/46/603592546.db2.gz FTWJFVMGPSTEHZ-GFCCVEGCSA-N -1 0 350.379 -0.851 20 0 FBADRM O=C([O-])N1CC2(C1)CC(=O)N(CN1CCO[C@H](Cn3cncn3)C1)C2 ZINC000831863200 603592698 /nfs/dbraw/zinc/59/26/98/603592698.db2.gz FTWJFVMGPSTEHZ-LBPRGKRZSA-N -1 0 350.379 -0.851 20 0 FBADRM COc1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)ccc1OCC(N)=O ZINC000831866625 601670466 /nfs/dbraw/zinc/67/04/66/601670466.db2.gz XLEPKKXYFYDXSK-LLVKDONJSA-N -1 0 352.343 -0.125 20 0 FBADRM COc1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)ccc1OCC(N)=O ZINC000831866627 601670539 /nfs/dbraw/zinc/67/05/39/601670539.db2.gz XLEPKKXYFYDXSK-NSHDSACASA-N -1 0 352.343 -0.125 20 0 FBADRM COc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc(OC)c1OCC(N)=O ZINC000831871227 601606852 /nfs/dbraw/zinc/60/68/52/601606852.db2.gz HAARIOVTLBDANH-JTQLQIEISA-N -1 0 368.342 -0.507 20 0 FBADRM COc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc(OC)c1OCC(N)=O ZINC000831871228 601606686 /nfs/dbraw/zinc/60/66/86/601606686.db2.gz HAARIOVTLBDANH-SNVBAGLBSA-N -1 0 368.342 -0.507 20 0 FBADRM COc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])sc1S(N)(=O)=O ZINC000831871496 601559567 /nfs/dbraw/zinc/55/95/67/601559567.db2.gz WADQDRHWMUXBEB-LURJTMIESA-N -1 0 350.374 -0.670 20 0 FBADRM COc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])sc1S(N)(=O)=O ZINC000831871497 601559621 /nfs/dbraw/zinc/55/96/21/601559621.db2.gz WADQDRHWMUXBEB-ZCFIWIBFSA-N -1 0 350.374 -0.670 20 0 FBADRM O=C([O-])N1CCC(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)CC1 ZINC000831874077 605123262 /nfs/dbraw/zinc/12/32/62/605123262.db2.gz FSTMXDLQRGMRHJ-UHFFFAOYSA-N -1 0 359.404 -0.124 20 0 FBADRM COc1cc(C(=O)NCCSCC(=O)[O-])sc1S(N)(=O)=O ZINC000831877788 601569764 /nfs/dbraw/zinc/56/97/64/601569764.db2.gz OKSKPRQSDZCRPS-UHFFFAOYSA-N -1 0 354.431 -0.048 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N2CCO[C@H](CO)C2)c1OC ZINC000831882440 601456036 /nfs/dbraw/zinc/45/60/36/601456036.db2.gz BAWBWOAZSJWGGF-JTQLQIEISA-N -1 0 368.342 -0.440 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N2CCO[C@@H](CO)C2)c1OC ZINC000831882441 601455964 /nfs/dbraw/zinc/45/59/64/601455964.db2.gz BAWBWOAZSJWGGF-SNVBAGLBSA-N -1 0 368.342 -0.440 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N2CCNC(=O)C2)c1OC ZINC000831882463 661153313 /nfs/dbraw/zinc/15/33/13/661153313.db2.gz BWZNAVMPCKSOHV-UHFFFAOYSA-N -1 0 351.315 -0.701 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N2CCN(C)C(=O)C2)c1OC ZINC000831882526 601363425 /nfs/dbraw/zinc/36/34/25/601363425.db2.gz FQXZGSNZJCIKSQ-UHFFFAOYSA-N -1 0 365.342 -0.359 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)c1OC ZINC000831882637 600888472 /nfs/dbraw/zinc/88/84/72/600888472.db2.gz JFVXAGJSHFYBGX-MRVPVSSYSA-N -1 0 365.342 -0.326 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)c1OC ZINC000831882638 600888590 /nfs/dbraw/zinc/88/85/90/600888590.db2.gz JFVXAGJSHFYBGX-QMMMGPOBSA-N -1 0 365.342 -0.326 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N2CCCNC(=O)C2)c1OC ZINC000831882709 600886302 /nfs/dbraw/zinc/88/63/02/600886302.db2.gz MARCXLNDOLHFDY-UHFFFAOYSA-N -1 0 365.342 -0.311 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)c1OC ZINC000831882787 601483196 /nfs/dbraw/zinc/48/31/96/601483196.db2.gz PRZVNSWGEQDPKM-AOOOYVTPSA-N -1 0 368.342 -0.705 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N[C@@H]2CCCNC2=O)c1OC ZINC000831886257 601349278 /nfs/dbraw/zinc/34/92/78/601349278.db2.gz BPXHOZOMJCWUSJ-SECBINFHSA-N -1 0 365.342 -0.265 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N[C@H]2CCCNC2=O)c1OC ZINC000831886258 601349321 /nfs/dbraw/zinc/34/93/21/601349321.db2.gz BPXHOZOMJCWUSJ-VIFPVBQESA-N -1 0 365.342 -0.265 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)c1OC ZINC000831886281 601350818 /nfs/dbraw/zinc/35/08/18/601350818.db2.gz BUSDFLDCXQINTQ-SECBINFHSA-N -1 0 365.342 -0.313 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)c1OC ZINC000831886284 601350806 /nfs/dbraw/zinc/35/08/06/601350806.db2.gz BUSDFLDCXQINTQ-VIFPVBQESA-N -1 0 365.342 -0.313 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)NCCCC(N)=O)c1OC ZINC000831886360 661153363 /nfs/dbraw/zinc/15/33/63/661153363.db2.gz CTXNOQTZXOOQLI-UHFFFAOYSA-N -1 0 353.331 -0.278 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)NCCNC(C)=O)c1OC ZINC000831886617 600864701 /nfs/dbraw/zinc/86/47/01/600864701.db2.gz DRSBAMMZFMBZQA-UHFFFAOYSA-N -1 0 353.331 -0.407 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N[C@H](C)CC(N)=O)c1OC ZINC000831886650 601366072 /nfs/dbraw/zinc/36/60/72/601366072.db2.gz FCRUIGYDUMETTJ-SSDOTTSWSA-N -1 0 353.331 -0.279 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N[C@@H](C)CC(N)=O)c1OC ZINC000831886652 601366079 /nfs/dbraw/zinc/36/60/79/601366079.db2.gz FCRUIGYDUMETTJ-ZETCQYMHSA-N -1 0 353.331 -0.279 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)NCCS(C)(=O)=O)c1OC ZINC000831886719 600897735 /nfs/dbraw/zinc/89/77/35/600897735.db2.gz FXVFEZXRZBWSPZ-UHFFFAOYSA-N -1 0 374.371 -0.499 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)NCC(=O)N(C)C)c1OC ZINC000831886923 600865881 /nfs/dbraw/zinc/86/58/81/600865881.db2.gz HELYQYJGXDTFJB-UHFFFAOYSA-N -1 0 353.331 -0.455 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)NCC[S@](C)=O)c1OC ZINC000831886928 600899862 /nfs/dbraw/zinc/89/98/62/600899862.db2.gz HGYHKEQZEXGNOU-DEOSSOPVSA-N -1 0 358.372 -0.165 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)NCC[S@@](C)=O)c1OC ZINC000831886934 600899861 /nfs/dbraw/zinc/89/98/61/600899861.db2.gz HGYHKEQZEXGNOU-XMMPIXPASA-N -1 0 358.372 -0.165 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)NCCC(=O)N(C)C)c1OC ZINC000831887284 600871033 /nfs/dbraw/zinc/87/10/33/600871033.db2.gz KDJGFLLFSIBNJP-UHFFFAOYSA-N -1 0 367.358 -0.065 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)NCCCNC(C)=O)c1OC ZINC000831887366 600870271 /nfs/dbraw/zinc/87/02/71/600870271.db2.gz LXVPCSOPDIJBPH-UHFFFAOYSA-N -1 0 367.358 -0.017 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N[C@H](C)C(=O)N(C)C)c1OC ZINC000831887554 601497021 /nfs/dbraw/zinc/49/70/21/601497021.db2.gz MYQHLIBEMWJYSG-MRVPVSSYSA-N -1 0 367.358 -0.067 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)NCC(=O)NC2CC2)c1OC ZINC000831887557 600866762 /nfs/dbraw/zinc/86/67/62/600866762.db2.gz NCFGYSLABZVOIK-UHFFFAOYSA-N -1 0 365.342 -0.265 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)NCCn2cncn2)c1OC ZINC000831887983 600898586 /nfs/dbraw/zinc/89/85/86/600898586.db2.gz SGVXUEOIZOOGMN-UHFFFAOYSA-N -1 0 363.330 -0.252 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)NCC(=O)NC(C)C)c1OC ZINC000831888003 600866765 /nfs/dbraw/zinc/86/67/65/600866765.db2.gz SSTMLCRTNNASNV-UHFFFAOYSA-N -1 0 367.358 -0.019 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)NC[C@H]2COCCO2)c1OC ZINC000831888278 600878526 /nfs/dbraw/zinc/87/85/26/600878526.db2.gz VTHYLTULVBPLAU-JTQLQIEISA-N -1 0 368.342 -0.128 20 0 FBADRM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)NC[C@@H]2COCCO2)c1OC ZINC000831888279 600878482 /nfs/dbraw/zinc/87/84/82/600878482.db2.gz VTHYLTULVBPLAU-SNVBAGLBSA-N -1 0 368.342 -0.128 20 0 FBADRM O=C([O-])N1CC[C@@](F)(C(=O)N2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000831893746 603903328 /nfs/dbraw/zinc/90/33/28/603903328.db2.gz CTSHIXOPTXBUME-HNNXBMFYSA-N -1 0 363.353 -0.135 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)N2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000831893750 603902906 /nfs/dbraw/zinc/90/29/06/603902906.db2.gz CTSHIXOPTXBUME-OAHLLOKOSA-N -1 0 363.353 -0.135 20 0 FBADRM O=C([O-])N1CC[C@@](F)(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000831894233 603849422 /nfs/dbraw/zinc/84/94/22/603849422.db2.gz HCYANVDGFSGUGB-INIZCTEOSA-N -1 0 370.381 -0.628 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000831894234 603849729 /nfs/dbraw/zinc/84/97/29/603849729.db2.gz HCYANVDGFSGUGB-MRXNPFEDSA-N -1 0 370.381 -0.628 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000831894249 603970207 /nfs/dbraw/zinc/97/02/07/603970207.db2.gz HJWQRTOFAAYREU-BXUZGUMPSA-N -1 0 363.411 -0.590 20 0 FBADRM O=C([O-])N1CC[C@@](F)(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000831894250 603970440 /nfs/dbraw/zinc/97/04/40/603970440.db2.gz HJWQRTOFAAYREU-FZMZJTMJSA-N -1 0 363.411 -0.590 20 0 FBADRM O=C([O-])N1CC[C@@](F)(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000831894251 603970261 /nfs/dbraw/zinc/97/02/61/603970261.db2.gz HJWQRTOFAAYREU-RISCZKNCSA-N -1 0 363.411 -0.590 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000831894252 603970452 /nfs/dbraw/zinc/97/04/52/603970452.db2.gz HJWQRTOFAAYREU-SMDDNHRTSA-N -1 0 363.411 -0.590 20 0 FBADRM O=C([O-])N1CC[C@@](F)(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000831895345 603826164 /nfs/dbraw/zinc/82/61/64/603826164.db2.gz MWTOZMFSRXUDKH-INIZCTEOSA-N -1 0 372.397 -0.919 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000831895348 603826264 /nfs/dbraw/zinc/82/62/64/603826264.db2.gz MWTOZMFSRXUDKH-MRXNPFEDSA-N -1 0 372.397 -0.919 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000831895543 603901638 /nfs/dbraw/zinc/90/16/38/603901638.db2.gz NUKILGGBYUHRLO-BLLLJJGKSA-N -1 0 372.397 -0.872 20 0 FBADRM O=C([O-])N1CC[C@@](F)(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000831895544 603901806 /nfs/dbraw/zinc/90/18/06/603901806.db2.gz NUKILGGBYUHRLO-LRDDRELGSA-N -1 0 372.397 -0.872 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000831895545 603901233 /nfs/dbraw/zinc/90/12/33/603901233.db2.gz NUKILGGBYUHRLO-MLGOLLRUSA-N -1 0 372.397 -0.872 20 0 FBADRM O=C([O-])N1CC[C@@](F)(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000831895546 603901465 /nfs/dbraw/zinc/90/14/65/603901465.db2.gz NUKILGGBYUHRLO-WBMJQRKESA-N -1 0 372.397 -0.872 20 0 FBADRM O=C([O-])N1CC[C@@](F)(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000831895937 603817888 /nfs/dbraw/zinc/81/78/88/603817888.db2.gz QZGCTWMQLGKFOI-INIZCTEOSA-N -1 0 372.397 -0.919 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000831895938 603819670 /nfs/dbraw/zinc/81/96/70/603819670.db2.gz QZGCTWMQLGKFOI-MRXNPFEDSA-N -1 0 372.397 -0.919 20 0 FBADRM O=C([O-])N1CC[C@@](F)(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000831896563 603970435 /nfs/dbraw/zinc/97/04/35/603970435.db2.gz VKGVTPHYCYBARH-INIZCTEOSA-N -1 0 356.398 -0.155 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000831896565 603970395 /nfs/dbraw/zinc/97/03/95/603970395.db2.gz VKGVTPHYCYBARH-MRXNPFEDSA-N -1 0 356.398 -0.155 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000831901336 603998267 /nfs/dbraw/zinc/99/82/67/603998267.db2.gz GPRVBQUUOGAYDW-GFCCVEGCSA-N -1 0 364.355 -0.698 20 0 FBADRM O=C([O-])N1CC[C@@](F)(C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000831901339 603998370 /nfs/dbraw/zinc/99/83/70/603998370.db2.gz GPRVBQUUOGAYDW-LBPRGKRZSA-N -1 0 364.355 -0.698 20 0 FBADRM O=C([O-])N1CC[C@@](F)(C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000831901356 603849530 /nfs/dbraw/zinc/84/95/30/603849530.db2.gz GUHGCFFUMKROTB-INIZCTEOSA-N -1 0 366.397 -0.193 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000831901357 603849695 /nfs/dbraw/zinc/84/96/95/603849695.db2.gz GUHGCFFUMKROTB-MRXNPFEDSA-N -1 0 366.397 -0.193 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000831901900 605533810 /nfs/dbraw/zinc/53/38/10/605533810.db2.gz LFXOHSPZJNRMMH-CYBMUJFWSA-N -1 0 360.367 -0.432 20 0 FBADRM O=C([O-])N1CC[C@@](F)(C(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000831901901 605534233 /nfs/dbraw/zinc/53/42/33/605534233.db2.gz LFXOHSPZJNRMMH-ZDUSSCGKSA-N -1 0 360.367 -0.432 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)NCCS(=O)(=O)NCC2CCC2)C1 ZINC000831902377 603889285 /nfs/dbraw/zinc/88/92/85/603889285.db2.gz ODIKOHVYKFCMPV-CYBMUJFWSA-N -1 0 351.400 -0.086 20 0 FBADRM O=C([O-])N1CC[C@@](F)(C(=O)NCCS(=O)(=O)NCC2CCC2)C1 ZINC000831902378 603889502 /nfs/dbraw/zinc/88/95/02/603889502.db2.gz ODIKOHVYKFCMPV-ZDUSSCGKSA-N -1 0 351.400 -0.086 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000831903117 603887078 /nfs/dbraw/zinc/88/70/78/603887078.db2.gz UEBBHJJCCFYGOZ-GFCCVEGCSA-N -1 0 369.440 -0.427 20 0 FBADRM O=C([O-])N1CC[C@@](F)(C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000831903120 603887064 /nfs/dbraw/zinc/88/70/64/603887064.db2.gz UEBBHJJCCFYGOZ-LBPRGKRZSA-N -1 0 369.440 -0.427 20 0 FBADRM O=C([O-])N1CC[C@@](F)(C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000831903142 603849375 /nfs/dbraw/zinc/84/93/75/603849375.db2.gz UKMSZSAZBQHVSV-HNNXBMFYSA-N -1 0 355.370 -0.021 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000831903144 603849652 /nfs/dbraw/zinc/84/96/52/603849652.db2.gz UKMSZSAZBQHVSV-OAHLLOKOSA-N -1 0 355.370 -0.021 20 0 FBADRM O=C([O-])N1CC[C@@](F)(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000831907459 603901527 /nfs/dbraw/zinc/90/15/27/603901527.db2.gz DNJIZWPZFMCBPU-HNNXBMFYSA-N -1 0 369.353 -0.228 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000831907461 603901728 /nfs/dbraw/zinc/90/17/28/603901728.db2.gz DNJIZWPZFMCBPU-OAHLLOKOSA-N -1 0 369.353 -0.228 20 0 FBADRM O=C([O-])N1CC[C@@](F)(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000831907664 603910524 /nfs/dbraw/zinc/91/05/24/603910524.db2.gz GRHUTNBHIMNLJF-HNNXBMFYSA-N -1 0 369.353 -0.228 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000831907666 603910613 /nfs/dbraw/zinc/91/06/13/603910613.db2.gz GRHUTNBHIMNLJF-OAHLLOKOSA-N -1 0 369.353 -0.228 20 0 FBADRM COc1cc(C(=O)[O-])ccc1OC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000831912816 602322496 /nfs/dbraw/zinc/32/24/96/602322496.db2.gz FSRMEERAOZXJRY-UHFFFAOYSA-N -1 0 372.399 -0.124 20 0 FBADRM O=C([O-])N1CC[C@@](F)(C(=O)OCC(=O)N2CCC3(CC2)OCCO3)C1 ZINC000831914384 603793932 /nfs/dbraw/zinc/79/39/32/603793932.db2.gz HFUMNRSEVGCCKI-AWEZNQCLSA-N -1 0 360.338 -0.013 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)OCC(=O)N2CCC3(CC2)OCCO3)C1 ZINC000831914385 603793921 /nfs/dbraw/zinc/79/39/21/603793921.db2.gz HFUMNRSEVGCCKI-CQSZACIVSA-N -1 0 360.338 -0.013 20 0 FBADRM O=C([O-])N1CC[C@@](F)(C(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000831914522 603786738 /nfs/dbraw/zinc/78/67/38/603786738.db2.gz KLHADQJVFMTDPA-INIZCTEOSA-N -1 0 371.365 -0.298 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000831914523 603786701 /nfs/dbraw/zinc/78/67/01/603786701.db2.gz KLHADQJVFMTDPA-MRXNPFEDSA-N -1 0 371.365 -0.298 20 0 FBADRM COc1cc(C(=O)[O-])ccc1OS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000831917539 601134156 /nfs/dbraw/zinc/13/41/56/601134156.db2.gz HDDDOTCPSLLEHO-UHFFFAOYSA-N -1 0 370.339 -0.442 20 0 FBADRM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CCN2C(=O)NC[C@@H]2C1 ZINC000831919326 601462341 /nfs/dbraw/zinc/46/23/41/601462341.db2.gz VPZPURGDJYCXBV-CHWSQXEVSA-N -1 0 365.386 -0.158 20 0 FBADRM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CCN2C(=O)NC[C@@H]2C1 ZINC000831919327 601462222 /nfs/dbraw/zinc/46/22/22/601462222.db2.gz VPZPURGDJYCXBV-OLZOCXBDSA-N -1 0 365.386 -0.158 20 0 FBADRM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CCN2C(=O)NC[C@H]2C1 ZINC000831919328 601462314 /nfs/dbraw/zinc/46/23/14/601462314.db2.gz VPZPURGDJYCXBV-QWHCGFSZSA-N -1 0 365.386 -0.158 20 0 FBADRM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CCN2C(=O)NC[C@H]2C1 ZINC000831919329 601462496 /nfs/dbraw/zinc/46/24/96/601462496.db2.gz VPZPURGDJYCXBV-STQMWFEESA-N -1 0 365.386 -0.158 20 0 FBADRM O=C([O-])N1CC[C@@H](N(C(=O)NCCCN2C(=O)CNC2=O)C2CC2)C1 ZINC000831927743 605395137 /nfs/dbraw/zinc/39/51/37/605395137.db2.gz GIAPIDZHEYFPFW-LLVKDONJSA-N -1 0 353.379 -0.145 20 0 FBADRM O=C([O-])N1CC[C@H](N(C(=O)NCCCN2C(=O)CNC2=O)C2CC2)C1 ZINC000831927744 605395151 /nfs/dbraw/zinc/39/51/51/605395151.db2.gz GIAPIDZHEYFPFW-NSHDSACASA-N -1 0 353.379 -0.145 20 0 FBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000831929657 601214965 /nfs/dbraw/zinc/21/49/65/601214965.db2.gz LXRPJKOAIXUWLS-SSDOTTSWSA-N -1 0 350.374 -0.670 20 0 FBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)N1CCO[C@H](C(N)=O)C1 ZINC000831929660 601214855 /nfs/dbraw/zinc/21/48/55/601214855.db2.gz LXRPJKOAIXUWLS-ZETCQYMHSA-N -1 0 350.374 -0.670 20 0 FBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000831929982 601402020 /nfs/dbraw/zinc/40/20/20/601402020.db2.gz UFAAABNQYHCIMT-SSDOTTSWSA-N -1 0 361.401 -0.147 20 0 FBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000831929983 601402060 /nfs/dbraw/zinc/40/20/60/601402060.db2.gz UFAAABNQYHCIMT-ZETCQYMHSA-N -1 0 361.401 -0.147 20 0 FBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)NC1(C(N)=O)CCOCC1 ZINC000831933871 604411424 /nfs/dbraw/zinc/41/14/24/604411424.db2.gz BHNCRENIZWSDMU-UHFFFAOYSA-N -1 0 364.401 -0.232 20 0 FBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)NCCCNS(C)(=O)=O ZINC000831933897 601212336 /nfs/dbraw/zinc/21/23/36/601212336.db2.gz CDBMJOVQMHJBIZ-UHFFFAOYSA-N -1 0 372.446 -0.328 20 0 FBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)NCCC(=O)NC(N)=O ZINC000831933902 602210231 /nfs/dbraw/zinc/21/02/31/602210231.db2.gz CMPMDADYYQTBKW-UHFFFAOYSA-N -1 0 351.362 -0.682 20 0 FBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)NC[C@@H]1CN(C)CCN1C ZINC000831934478 601215574 /nfs/dbraw/zinc/21/55/74/601215574.db2.gz MLDLUDHOWAUDSE-SECBINFHSA-N -1 0 363.461 -0.021 20 0 FBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)NC[C@H]1CN(C)CCN1C ZINC000831934480 601215757 /nfs/dbraw/zinc/21/57/57/601215757.db2.gz MLDLUDHOWAUDSE-VIFPVBQESA-N -1 0 363.461 -0.021 20 0 FBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000831934492 601961518 /nfs/dbraw/zinc/96/15/18/601961518.db2.gz MYHWEWVWMSWQRP-BQBZGAKWSA-N -1 0 364.401 -0.234 20 0 FBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000831934493 601961521 /nfs/dbraw/zinc/96/15/21/601961521.db2.gz MYHWEWVWMSWQRP-NKWVEPMBSA-N -1 0 364.401 -0.234 20 0 FBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000831934495 601961376 /nfs/dbraw/zinc/96/13/76/601961376.db2.gz MYHWEWVWMSWQRP-RNFRBKRXSA-N -1 0 364.401 -0.234 20 0 FBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000831934496 601961423 /nfs/dbraw/zinc/96/14/23/601961423.db2.gz MYHWEWVWMSWQRP-RQJHMYQMSA-N -1 0 364.401 -0.234 20 0 FBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)NCCN1C(=O)CNC1=O ZINC000831939367 601216333 /nfs/dbraw/zinc/21/63/33/601216333.db2.gz KFLCETNYEHELOM-UHFFFAOYSA-N -1 0 363.373 -0.715 20 0 FBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)NCCN1C(=O)CCC1=O ZINC000831939648 601216219 /nfs/dbraw/zinc/21/62/19/601216219.db2.gz RJOXSYRZWCVRQA-UHFFFAOYSA-N -1 0 362.385 -0.118 20 0 FBADRM COc1cc(C(=O)OCC(=O)NCCC(=O)[O-])sc1S(N)(=O)=O ZINC000831949554 601568487 /nfs/dbraw/zinc/56/84/87/601568487.db2.gz APWXWKNBTHNMCE-UHFFFAOYSA-N -1 0 366.373 -0.848 20 0 FBADRM COc1cc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])sc1S(N)(=O)=O ZINC000831950164 601568323 /nfs/dbraw/zinc/56/83/23/601568323.db2.gz MTXONTDLCQMGIH-RXMQYKEDSA-N -1 0 366.373 -0.850 20 0 FBADRM COc1cc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])sc1S(N)(=O)=O ZINC000831950165 601568449 /nfs/dbraw/zinc/56/84/49/601568449.db2.gz MTXONTDLCQMGIH-YFKPBYRVSA-N -1 0 366.373 -0.850 20 0 FBADRM O=C([O-])N1CC[C@@]2(C1)NC(=O)N(C[C@@H](O)COCc1ccco1)C2=O ZINC000831968570 605298068 /nfs/dbraw/zinc/29/80/68/605298068.db2.gz BHJRTPMWAZLVAU-BMIGLBTASA-N -1 0 353.331 -0.169 20 0 FBADRM O=C([O-])N1CC[C@@]2(C1)NC(=O)N(C[C@H](O)COCc1ccco1)C2=O ZINC000831968571 605298298 /nfs/dbraw/zinc/29/82/98/605298298.db2.gz BHJRTPMWAZLVAU-BONVTDFDSA-N -1 0 353.331 -0.169 20 0 FBADRM O=C([O-])N1CC[C@]2(C1)NC(=O)N(C[C@@H](O)COCc1ccco1)C2=O ZINC000831968572 605298371 /nfs/dbraw/zinc/29/83/71/605298371.db2.gz BHJRTPMWAZLVAU-MEBBXXQBSA-N -1 0 353.331 -0.169 20 0 FBADRM O=C([O-])N1CC[C@]2(C1)NC(=O)N(C[C@H](O)COCc1ccco1)C2=O ZINC000831968573 605298364 /nfs/dbraw/zinc/29/83/64/605298364.db2.gz BHJRTPMWAZLVAU-ZUZCIYMTSA-N -1 0 353.331 -0.169 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)N3CCN4C(=O)NC[C@@H]4C3)nn2)CC1 ZINC000831968592 603828875 /nfs/dbraw/zinc/82/88/75/603828875.db2.gz CJDSSSRDBCHTTD-LLVKDONJSA-N -1 0 363.378 -0.557 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)N3CCN4C(=O)NC[C@H]4C3)nn2)CC1 ZINC000831968593 603829012 /nfs/dbraw/zinc/82/90/12/603829012.db2.gz CJDSSSRDBCHTTD-NSHDSACASA-N -1 0 363.378 -0.557 20 0 FBADRM O=C([O-])N1CC[C@@]2(C1)NC(=O)N(C[C@@H](O)COC1CCOCC1)C2=O ZINC000831969012 605298193 /nfs/dbraw/zinc/29/81/93/605298193.db2.gz HREZEBGDTGPCHY-BMIGLBTASA-N -1 0 357.363 -0.783 20 0 FBADRM O=C([O-])N1CC[C@@]2(C1)NC(=O)N(C[C@H](O)COC1CCOCC1)C2=O ZINC000831969013 605298166 /nfs/dbraw/zinc/29/81/66/605298166.db2.gz HREZEBGDTGPCHY-BONVTDFDSA-N -1 0 357.363 -0.783 20 0 FBADRM O=C([O-])N1CC[C@]2(C1)NC(=O)N(C[C@@H](O)COC1CCOCC1)C2=O ZINC000831969015 605298358 /nfs/dbraw/zinc/29/83/58/605298358.db2.gz HREZEBGDTGPCHY-MEBBXXQBSA-N -1 0 357.363 -0.783 20 0 FBADRM O=C([O-])N1CC[C@]2(C1)NC(=O)N(C[C@H](O)COC1CCOCC1)C2=O ZINC000831969017 605298197 /nfs/dbraw/zinc/29/81/97/605298197.db2.gz HREZEBGDTGPCHY-ZUZCIYMTSA-N -1 0 357.363 -0.783 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)N3CCN(CCO)CC3)nn2)CC1 ZINC000831969488 604160378 /nfs/dbraw/zinc/16/03/78/604160378.db2.gz OFHDTLBVAAWZCB-UHFFFAOYSA-N -1 0 352.395 -0.657 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)N3CCN4C(=O)OC[C@H]4C3)nn2)CC1 ZINC000831970015 604547059 /nfs/dbraw/zinc/54/70/59/604547059.db2.gz YEMZNRZBYGIHLI-LLVKDONJSA-N -1 0 364.362 -0.130 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)N3CCN4C(=O)OC[C@@H]4C3)nn2)CC1 ZINC000831970017 604547461 /nfs/dbraw/zinc/54/74/61/604547461.db2.gz YEMZNRZBYGIHLI-NSHDSACASA-N -1 0 364.362 -0.130 20 0 FBADRM COc1cc(C)nc(N2CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC2)n1 ZINC000831972343 601791893 /nfs/dbraw/zinc/79/18/93/601791893.db2.gz IREMYGLIPVUHAC-JTQLQIEISA-N -1 0 358.420 -0.034 20 0 FBADRM COc1cc(C)nc(N2CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC2)n1 ZINC000831972345 601791968 /nfs/dbraw/zinc/79/19/68/601791968.db2.gz IREMYGLIPVUHAC-SNVBAGLBSA-N -1 0 358.420 -0.034 20 0 FBADRM COc1cc(C)nc(N2CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC2)n1 ZINC000831972623 601262587 /nfs/dbraw/zinc/26/25/87/601262587.db2.gz NBIBBGFGOMFPOW-UHFFFAOYSA-N -1 0 373.435 -0.433 20 0 FBADRM COc1cc(C)nc(N2CCN(C(=O)Cn3cc(C(=O)[O-])nn3)CC2)n1 ZINC000831972808 601283458 /nfs/dbraw/zinc/28/34/58/601283458.db2.gz RCCXBXKJMOCDMO-UHFFFAOYSA-N -1 0 361.362 -0.568 20 0 FBADRM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)NCCC(N)=O)c1OC ZINC000831973045 600711248 /nfs/dbraw/zinc/71/12/48/600711248.db2.gz XZQCACLZVNSPJK-ARJAWSKDSA-N -1 0 358.372 -0.045 20 0 FBADRM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)NCCC(N)=O)c1OC ZINC000831973046 600711311 /nfs/dbraw/zinc/71/13/11/600711311.db2.gz XZQCACLZVNSPJK-ONEGZZNKSA-N -1 0 358.372 -0.045 20 0 FBADRM O=C([O-])N1CCC[C@@H](C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000831974024 605443406 /nfs/dbraw/zinc/44/34/06/605443406.db2.gz IIOBPLKOCZTVNN-CHWSQXEVSA-N -1 0 359.448 -0.292 20 0 FBADRM O=C([O-])N1CCC[C@@H](C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000831974125 605443673 /nfs/dbraw/zinc/44/36/73/605443673.db2.gz IIOBPLKOCZTVNN-OLZOCXBDSA-N -1 0 359.448 -0.292 20 0 FBADRM O=C([O-])N1CCC[C@H](C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000831974126 605443498 /nfs/dbraw/zinc/44/34/98/605443498.db2.gz IIOBPLKOCZTVNN-QWHCGFSZSA-N -1 0 359.448 -0.292 20 0 FBADRM O=C([O-])N1CCC[C@H](C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000831974127 605443323 /nfs/dbraw/zinc/44/33/23/605443323.db2.gz IIOBPLKOCZTVNN-STQMWFEESA-N -1 0 359.448 -0.292 20 0 FBADRM O=C([O-])N1CCC2(CC1)NC(=O)N(CN1CCN(C3CC3)C(=O)C1)C2=O ZINC000831974340 603809350 /nfs/dbraw/zinc/80/93/50/603809350.db2.gz MJXPMXNXOOGYFO-UHFFFAOYSA-N -1 0 365.390 -0.685 20 0 FBADRM O=C([O-])N1CCC[C@H](C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000831974502 605212863 /nfs/dbraw/zinc/21/28/63/605212863.db2.gz QSYQAXGEOADIMV-AWEZNQCLSA-N -1 0 368.434 -0.621 20 0 FBADRM O=C([O-])N1CCC[C@@H](C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000831974503 605212890 /nfs/dbraw/zinc/21/28/90/605212890.db2.gz QSYQAXGEOADIMV-CQSZACIVSA-N -1 0 368.434 -0.621 20 0 FBADRM O=C([O-])N1CCC2(CC1)NC(=O)N(C[C@@H](O)COC1CCOCC1)C2=O ZINC000831974779 603462720 /nfs/dbraw/zinc/46/27/20/603462720.db2.gz ZEXPLELEIQLCSB-LLVKDONJSA-N -1 0 371.390 -0.393 20 0 FBADRM O=C([O-])N1CCC2(CC1)NC(=O)N(C[C@H](O)COC1CCOCC1)C2=O ZINC000831974780 603463009 /nfs/dbraw/zinc/46/30/09/603463009.db2.gz ZEXPLELEIQLCSB-NSHDSACASA-N -1 0 371.390 -0.393 20 0 FBADRM O=C([O-])N1CC[C@@]2(C1)NC(=O)N(Cc1nnnn1-c1ccccc1)C2=O ZINC000831974793 605350495 /nfs/dbraw/zinc/35/04/95/605350495.db2.gz ZHQGCYPUNRQXNP-HNNXBMFYSA-N -1 0 357.330 -0.163 20 0 FBADRM O=C([O-])N1CC[C@]2(C1)NC(=O)N(Cc1nnnn1-c1ccccc1)C2=O ZINC000831974794 605350821 /nfs/dbraw/zinc/35/08/21/605350821.db2.gz ZHQGCYPUNRQXNP-OAHLLOKOSA-N -1 0 357.330 -0.163 20 0 FBADRM COc1cc(CNC(=O)Cn2cc(C(=O)[O-])nn2)ccc1OCCO ZINC000831995066 601277223 /nfs/dbraw/zinc/27/72/23/601277223.db2.gz DSNRXIQYKNAYON-UHFFFAOYSA-N -1 0 350.331 -0.328 20 0 FBADRM O=C([O-])N1CCC[C@@H](OCC(=O)N2CCO[C@@H](Cn3cncn3)C2)C1 ZINC000831995303 605348867 /nfs/dbraw/zinc/34/88/67/605348867.db2.gz BOCKNCRHBNXMGZ-CHWSQXEVSA-N -1 0 353.379 -0.336 20 0 FBADRM O=C([O-])N1CCC[C@@H](OCC(=O)N2CCO[C@H](Cn3cncn3)C2)C1 ZINC000831995305 605348344 /nfs/dbraw/zinc/34/83/44/605348344.db2.gz BOCKNCRHBNXMGZ-OLZOCXBDSA-N -1 0 353.379 -0.336 20 0 FBADRM O=C([O-])N1CCC[C@H](OCC(=O)N2CCO[C@@H](Cn3cncn3)C2)C1 ZINC000831995307 605348285 /nfs/dbraw/zinc/34/82/85/605348285.db2.gz BOCKNCRHBNXMGZ-QWHCGFSZSA-N -1 0 353.379 -0.336 20 0 FBADRM O=C([O-])N1CCC[C@H](OCC(=O)N2CCO[C@H](Cn3cncn3)C2)C1 ZINC000831995309 605348652 /nfs/dbraw/zinc/34/86/52/605348652.db2.gz BOCKNCRHBNXMGZ-STQMWFEESA-N -1 0 353.379 -0.336 20 0 FBADRM COc1cc(CNC(=O)Cn2cc(C(=O)[O-])nn2)ccc1OCC(N)=O ZINC000831995762 601276674 /nfs/dbraw/zinc/27/66/74/601276674.db2.gz OBHYGZIJISFGHO-UHFFFAOYSA-N -1 0 363.330 -0.835 20 0 FBADRM O=C([O-])N1CCC[C@H](OCC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000831996322 605240211 /nfs/dbraw/zinc/24/02/11/605240211.db2.gz GVHNSRJKHSYXIG-KBPBESRZSA-N -1 0 369.418 -0.005 20 0 FBADRM O=C([O-])N1CCC[C@@H](OCC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000831996325 605240182 /nfs/dbraw/zinc/24/01/82/605240182.db2.gz GVHNSRJKHSYXIG-KGLIPLIRSA-N -1 0 369.418 -0.005 20 0 FBADRM O=C([O-])N1CCC[C@H](OCC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000831996326 605240171 /nfs/dbraw/zinc/24/01/71/605240171.db2.gz GVHNSRJKHSYXIG-UONOGXRCSA-N -1 0 369.418 -0.005 20 0 FBADRM O=C([O-])N1CCC[C@@H](OCC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000831996328 605240141 /nfs/dbraw/zinc/24/01/41/605240141.db2.gz GVHNSRJKHSYXIG-ZIAGYGMSSA-N -1 0 369.418 -0.005 20 0 FBADRM O=C([O-])N1CCC[C@H](OCC(=O)N2CCN(CCn3cncn3)CC2)C1 ZINC000831998962 605357115 /nfs/dbraw/zinc/35/71/15/605357115.db2.gz XVCQYAVNKIHWAT-AWEZNQCLSA-N -1 0 366.422 -0.419 20 0 FBADRM O=C([O-])N1CCC[C@@H](OCC(=O)N2CCN(CCn3cncn3)CC2)C1 ZINC000831998963 605356711 /nfs/dbraw/zinc/35/67/11/605356711.db2.gz XVCQYAVNKIHWAT-CQSZACIVSA-N -1 0 366.422 -0.419 20 0 FBADRM COc1cc(CNS(=O)(=O)C[C@@H](C)C(=O)[O-])ccc1OCC(N)=O ZINC000831999951 601776953 /nfs/dbraw/zinc/77/69/53/601776953.db2.gz FGIJSBDMWKQMHP-SECBINFHSA-N -1 0 360.388 -0.301 20 0 FBADRM COc1cc(CNS(=O)(=O)C[C@H](C)C(=O)[O-])ccc1OCC(N)=O ZINC000831999952 601776889 /nfs/dbraw/zinc/77/68/89/601776889.db2.gz FGIJSBDMWKQMHP-VIFPVBQESA-N -1 0 360.388 -0.301 20 0 FBADRM O=C([O-])N1CCCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000832009156 603893075 /nfs/dbraw/zinc/89/30/75/603893075.db2.gz IEIVDHPKZPATTL-GFCCVEGCSA-N -1 0 354.388 -0.071 20 0 FBADRM O=C([O-])N1CCCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000832009157 603893103 /nfs/dbraw/zinc/89/31/03/603893103.db2.gz IEIVDHPKZPATTL-LBPRGKRZSA-N -1 0 354.388 -0.071 20 0 FBADRM COc1cc(NC(=O)CNC(=O)Cn2cc(C(=O)[O-])nn2)cc(OC)c1 ZINC000832017300 601742766 /nfs/dbraw/zinc/74/27/66/601742766.db2.gz PMXPIAUHUKSEFV-UHFFFAOYSA-N -1 0 363.330 -0.252 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@@H]2CCCN(C(=O)CCc3nnc[nH]3)C2)CC1 ZINC000832018347 604151502 /nfs/dbraw/zinc/15/15/02/604151502.db2.gz HYXUBJRBTXQHAX-GFCCVEGCSA-N -1 0 364.406 -0.202 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@H]2CCCN(C(=O)CCc3nnc[nH]3)C2)CC1 ZINC000832018348 604151058 /nfs/dbraw/zinc/15/10/58/604151058.db2.gz HYXUBJRBTXQHAX-LBPRGKRZSA-N -1 0 364.406 -0.202 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@@H]2CCCN(c3nccn4nnnc34)C2)CC1 ZINC000832018662 604201832 /nfs/dbraw/zinc/20/18/32/604201832.db2.gz OOGAFNKXBZQKKH-LLVKDONJSA-N -1 0 360.378 -0.442 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@H]2CCCN(c3nccn4nnnc34)C2)CC1 ZINC000832018665 604201931 /nfs/dbraw/zinc/20/19/31/604201931.db2.gz OOGAFNKXBZQKKH-NSHDSACASA-N -1 0 360.378 -0.442 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@@H]2CCCN(CN3C[C@H](O)CC3=O)C2)CC1 ZINC000832018788 661154169 /nfs/dbraw/zinc/15/41/69/661154169.db2.gz QSRZFXZEEUCSSZ-CHWSQXEVSA-N -1 0 354.407 -0.929 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@@H]2CCCN(CN3C[C@@H](O)CC3=O)C2)CC1 ZINC000832018791 661154149 /nfs/dbraw/zinc/15/41/49/661154149.db2.gz QSRZFXZEEUCSSZ-OLZOCXBDSA-N -1 0 354.407 -0.929 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@H]2CCCN(CN3C[C@H](O)CC3=O)C2)CC1 ZINC000832018793 661154051 /nfs/dbraw/zinc/15/40/51/661154051.db2.gz QSRZFXZEEUCSSZ-QWHCGFSZSA-N -1 0 354.407 -0.929 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@H]2CCCN(CN3C[C@@H](O)CC3=O)C2)CC1 ZINC000832018795 661154119 /nfs/dbraw/zinc/15/41/19/661154119.db2.gz QSRZFXZEEUCSSZ-STQMWFEESA-N -1 0 354.407 -0.929 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000832018900 603703392 /nfs/dbraw/zinc/70/33/92/603703392.db2.gz SRHJKGKBLDDVDC-GFCCVEGCSA-N -1 0 368.312 -0.483 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000832018901 603703378 /nfs/dbraw/zinc/70/33/78/603703378.db2.gz SRHJKGKBLDDVDC-LBPRGKRZSA-N -1 0 368.312 -0.483 20 0 FBADRM COc1cc(NC(=O)C[C@H](NC(C)=O)C(N)=O)c(C(=O)[O-])cc1OC ZINC000832022342 600884531 /nfs/dbraw/zinc/88/45/31/600884531.db2.gz SMKAIULDLYVOFQ-JTQLQIEISA-N -1 0 353.331 -0.279 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)CC1 ZINC000832024120 603659016 /nfs/dbraw/zinc/65/90/16/603659016.db2.gz FPMRRDWFZMJZRX-CHWSQXEVSA-N -1 0 370.406 -0.602 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)CC1 ZINC000832024121 603659248 /nfs/dbraw/zinc/65/92/48/603659248.db2.gz FPMRRDWFZMJZRX-OLZOCXBDSA-N -1 0 370.406 -0.602 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)CC1 ZINC000832024122 603659192 /nfs/dbraw/zinc/65/91/92/603659192.db2.gz FPMRRDWFZMJZRX-QWHCGFSZSA-N -1 0 370.406 -0.602 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)CC1 ZINC000832024123 603659283 /nfs/dbraw/zinc/65/92/83/603659283.db2.gz FPMRRDWFZMJZRX-STQMWFEESA-N -1 0 370.406 -0.602 20 0 FBADRM O=C([O-])N1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000832024124 604081432 /nfs/dbraw/zinc/08/14/32/604081432.db2.gz FSBMLVPNCVHOCL-UHFFFAOYSA-N -1 0 361.380 -0.901 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCC[C@@H](n3cncn3)C2)CC1 ZINC000832024334 604046363 /nfs/dbraw/zinc/04/63/63/604046363.db2.gz JPAAKIRAPKHLDV-GFCCVEGCSA-N -1 0 365.394 -0.553 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCC[C@H](n3cncn3)C2)CC1 ZINC000832024337 604046584 /nfs/dbraw/zinc/04/65/84/604046584.db2.gz JPAAKIRAPKHLDV-LBPRGKRZSA-N -1 0 365.394 -0.553 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCOC3(CCOCC3)C2)CC1 ZINC000832024452 605291229 /nfs/dbraw/zinc/29/12/29/605291229.db2.gz LGYKQYFCYVCZFN-UHFFFAOYSA-N -1 0 370.406 -0.600 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNS(=O)(=O)c2cccc3nonc32)CC1 ZINC000832024621 604762725 /nfs/dbraw/zinc/76/27/25/604762725.db2.gz MSNJRMHAHUKATL-UHFFFAOYSA-N -1 0 369.359 -0.677 20 0 FBADRM O=C([O-])N1CCN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000832024688 601314732 /nfs/dbraw/zinc/31/47/32/601314732.db2.gz NVKSSWQSYMRLEI-UHFFFAOYSA-N -1 0 366.378 -0.431 20 0 FBADRM O=C([O-])N1CCN(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000832025217 604008696 /nfs/dbraw/zinc/00/86/96/604008696.db2.gz USNFOIJJBLRCGZ-UHFFFAOYSA-N -1 0 360.436 -0.052 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNS(=O)(=O)C2Cc3ccccc3C2)CC1 ZINC000832025405 603505499 /nfs/dbraw/zinc/50/54/99/603505499.db2.gz YSFPWSBEJZRBJQ-UHFFFAOYSA-N -1 0 367.427 -0.105 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC(O[C@@H]3CCOC3)CC2)C(=O)C1 ZINC000832030861 603963849 /nfs/dbraw/zinc/96/38/49/603963849.db2.gz AYJCUGUTUBLTRI-CYBMUJFWSA-N -1 0 355.391 -0.395 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC(O[C@H]3CCOC3)CC2)C(=O)C1 ZINC000832030862 603964186 /nfs/dbraw/zinc/96/41/86/603964186.db2.gz AYJCUGUTUBLTRI-ZDUSSCGKSA-N -1 0 355.391 -0.395 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)C(=O)C1 ZINC000832030897 603528084 /nfs/dbraw/zinc/52/80/84/603528084.db2.gz CFAILWMBVITLGR-AWEZNQCLSA-N -1 0 369.418 -0.005 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC(OC[C@H]3CCCO3)CC2)C(=O)C1 ZINC000832030899 603528143 /nfs/dbraw/zinc/52/81/43/603528143.db2.gz CFAILWMBVITLGR-CQSZACIVSA-N -1 0 369.418 -0.005 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)N2CCN(C3CC3)C(=O)C2)CC1 ZINC000832031110 604040514 /nfs/dbraw/zinc/04/05/14/604040514.db2.gz HCDWNBYTEFRJGX-UHFFFAOYSA-N -1 0 353.423 -0.312 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC(N3CCCCC3=O)CC2)C(=O)C1 ZINC000832031131 604511070 /nfs/dbraw/zinc/51/10/70/604511070.db2.gz HSCJYEKJDDBTBI-UHFFFAOYSA-N -1 0 366.418 -0.188 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCN(c3cccc(O)c3)CC2)C(=O)C1 ZINC000832031286 605268639 /nfs/dbraw/zinc/26/86/39/605268639.db2.gz LCNHQGGGPYKXGP-UHFFFAOYSA-N -1 0 362.386 -0.137 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)C(=O)C1 ZINC000832031455 603929730 /nfs/dbraw/zinc/92/97/30/603929730.db2.gz NEFUICHLPLBYQF-NEPJUHHUSA-N -1 0 373.431 -0.623 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)C(=O)C1 ZINC000832031456 603929573 /nfs/dbraw/zinc/92/95/73/603929573.db2.gz NEFUICHLPLBYQF-NWDGAFQWSA-N -1 0 373.431 -0.623 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)C(=O)C1 ZINC000832031457 603929372 /nfs/dbraw/zinc/92/93/72/603929372.db2.gz NEFUICHLPLBYQF-RYUDHWBXSA-N -1 0 373.431 -0.623 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)C(=O)C1 ZINC000832031458 603929625 /nfs/dbraw/zinc/92/96/25/603929625.db2.gz NEFUICHLPLBYQF-VXGBXAGGSA-N -1 0 373.431 -0.623 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)C(=O)C1 ZINC000832031517 604386377 /nfs/dbraw/zinc/38/63/77/604386377.db2.gz PRBYJOBJEAKOQL-GFCCVEGCSA-N -1 0 367.324 -0.030 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC([C@H](O)C(F)(F)F)CC2)C(=O)C1 ZINC000832031518 604386239 /nfs/dbraw/zinc/38/62/39/604386239.db2.gz PRBYJOBJEAKOQL-LBPRGKRZSA-N -1 0 367.324 -0.030 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000832031569 603832579 /nfs/dbraw/zinc/83/25/79/603832579.db2.gz RMLBXXGPQXVJET-GFCCVEGCSA-N -1 0 354.411 -0.909 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000832031570 603832381 /nfs/dbraw/zinc/83/23/81/603832381.db2.gz RMLBXXGPQXVJET-LBPRGKRZSA-N -1 0 354.411 -0.909 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC[C@@H]2CN2CCOCC2)C(=O)C1 ZINC000832031652 603038108 /nfs/dbraw/zinc/03/81/08/603038108.db2.gz VUCJZYLMXAQEJP-CYBMUJFWSA-N -1 0 354.407 -0.868 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC[C@H]2CN2CCOCC2)C(=O)C1 ZINC000832031653 603038063 /nfs/dbraw/zinc/03/80/63/603038063.db2.gz VUCJZYLMXAQEJP-ZDUSSCGKSA-N -1 0 354.407 -0.868 20 0 FBADRM COc1cc(OC)cc(-n2nnnc2CN(C)CC(=O)NCC(=O)[O-])c1 ZINC000832034366 601466746 /nfs/dbraw/zinc/46/67/46/601466746.db2.gz WGYHVTRUSZYNEZ-UHFFFAOYSA-N -1 0 364.362 -0.688 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)COCC3CC3)C2)CC1 ZINC000832035767 603553054 /nfs/dbraw/zinc/55/30/54/603553054.db2.gz ABIINDYWIOPHKI-UHFFFAOYSA-N -1 0 361.420 -0.751 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)Nc3ccncc3)C2)CC1 ZINC000832035768 604245179 /nfs/dbraw/zinc/24/51/79/604245179.db2.gz ABTVVSOAGVIKQN-UHFFFAOYSA-N -1 0 369.403 -0.655 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)C3=CCCCO3)C2)CC1 ZINC000832035787 604060507 /nfs/dbraw/zinc/06/05/07/604060507.db2.gz ANGLGUDBUWLFHB-UHFFFAOYSA-N -1 0 359.404 -0.483 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)Nc3cccnc3)C2)CC1 ZINC000832035794 604245152 /nfs/dbraw/zinc/24/51/52/604245152.db2.gz AUVABWCWEKSDIX-UHFFFAOYSA-N -1 0 369.403 -0.077 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)[C@H]3CCCS3)C2)CC1 ZINC000832035800 603938022 /nfs/dbraw/zinc/93/80/22/603938022.db2.gz AWNBTBMSJGKMFE-LLVKDONJSA-N -1 0 363.461 -0.282 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3CCCS3)C2)CC1 ZINC000832035801 603937881 /nfs/dbraw/zinc/93/78/81/603937881.db2.gz AWNBTBMSJGKMFE-NSHDSACASA-N -1 0 363.461 -0.282 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)NCc3ccon3)C2)CC1 ZINC000832035853 604886005 /nfs/dbraw/zinc/88/60/05/604886005.db2.gz BVRQLUCPDOXHPO-UHFFFAOYSA-N -1 0 373.391 -0.806 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)CC1 ZINC000832035863 603688290 /nfs/dbraw/zinc/68/82/90/603688290.db2.gz BYZCVYCVBYBOIR-KBPBESRZSA-N -1 0 356.423 -0.129 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)CC1 ZINC000832035868 603687981 /nfs/dbraw/zinc/68/79/81/603687981.db2.gz BYZCVYCVBYBOIR-KGLIPLIRSA-N -1 0 356.423 -0.129 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)CC1 ZINC000832035869 603688046 /nfs/dbraw/zinc/68/80/46/603688046.db2.gz BYZCVYCVBYBOIR-UONOGXRCSA-N -1 0 356.423 -0.129 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)CC1 ZINC000832035871 603687953 /nfs/dbraw/zinc/68/79/53/603687953.db2.gz BYZCVYCVBYBOIR-ZIAGYGMSSA-N -1 0 356.423 -0.129 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)c3ccccn3)C2)CC1 ZINC000832035882 603738112 /nfs/dbraw/zinc/73/81/12/603738112.db2.gz CFNLCMVTMTVFML-UHFFFAOYSA-N -1 0 354.388 -0.469 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)C3=COCCC3)C2)CC1 ZINC000832035889 603940818 /nfs/dbraw/zinc/94/08/18/603940818.db2.gz CHUHYOJUXOZPLM-UHFFFAOYSA-N -1 0 359.404 -0.483 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)[C@H]3CCSC3)C2)CC1 ZINC000832036074 604866703 /nfs/dbraw/zinc/86/67/03/604866703.db2.gz DAWKQRKPQJILEQ-JTQLQIEISA-N -1 0 363.461 -0.424 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3CCSC3)C2)CC1 ZINC000832036075 604866761 /nfs/dbraw/zinc/86/67/61/604866761.db2.gz DAWKQRKPQJILEQ-SNVBAGLBSA-N -1 0 363.461 -0.424 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)NC3CC=CC3)C2)CC1 ZINC000832036083 604887527 /nfs/dbraw/zinc/88/75/27/604887527.db2.gz DNWCVAMWNGHENO-UHFFFAOYSA-N -1 0 358.420 -0.276 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3CCCOC3)C2)CC1 ZINC000832036094 603940887 /nfs/dbraw/zinc/94/08/87/603940887.db2.gz DZDCYYZPNOKMAT-LLVKDONJSA-N -1 0 361.420 -0.751 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)[C@H]3CCCOC3)C2)CC1 ZINC000832036095 603940927 /nfs/dbraw/zinc/94/09/27/603940927.db2.gz DZDCYYZPNOKMAT-NSHDSACASA-N -1 0 361.420 -0.751 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)c3cccnc3)C2)CC1 ZINC000832036101 603553059 /nfs/dbraw/zinc/55/30/59/603553059.db2.gz FKEWIXPGHCVUOB-UHFFFAOYSA-N -1 0 354.388 -0.469 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)CCn3cccc3)C2)CC1 ZINC000832036120 604060965 /nfs/dbraw/zinc/06/09/65/604060965.db2.gz GJJBVARHYKELFT-UHFFFAOYSA-N -1 0 370.431 -0.286 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)C[C@H]3CCOC3)C2)CC1 ZINC000832036131 603940643 /nfs/dbraw/zinc/94/06/43/603940643.db2.gz GSGCDCSDKMXOLC-LLVKDONJSA-N -1 0 361.420 -0.751 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)C[C@@H]3CCOC3)C2)CC1 ZINC000832036132 603940964 /nfs/dbraw/zinc/94/09/64/603940964.db2.gz GSGCDCSDKMXOLC-NSHDSACASA-N -1 0 361.420 -0.751 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)NC3CCCC3)C2)CC1 ZINC000832036150 603735362 /nfs/dbraw/zinc/73/53/62/603735362.db2.gz HMNCNWVDTXPPSM-UHFFFAOYSA-N -1 0 360.436 -0.052 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)[C@H]3CCCCO3)C2)CC1 ZINC000832036369 605321638 /nfs/dbraw/zinc/32/16/38/605321638.db2.gz IAQJVRBYIRLIOG-GFCCVEGCSA-N -1 0 361.420 -0.608 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3CCCCO3)C2)CC1 ZINC000832036370 605322124 /nfs/dbraw/zinc/32/21/24/605322124.db2.gz IAQJVRBYIRLIOG-LBPRGKRZSA-N -1 0 361.420 -0.608 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)Cc3ccco3)C2)CC1 ZINC000832036394 604974491 /nfs/dbraw/zinc/97/44/91/604974491.db2.gz JIIUAEITALBPEF-UHFFFAOYSA-N -1 0 357.388 -0.342 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000832036401 603703482 /nfs/dbraw/zinc/70/34/82/603703482.db2.gz JMKJWMXLSXGTBT-GFCCVEGCSA-N -1 0 354.329 -0.009 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000832036402 603703684 /nfs/dbraw/zinc/70/36/84/603703684.db2.gz JMKJWMXLSXGTBT-LBPRGKRZSA-N -1 0 354.329 -0.009 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)NCc3cocn3)C2)CC1 ZINC000832036411 604880908 /nfs/dbraw/zinc/88/09/08/604880908.db2.gz JWLCSBKTACJVFR-UHFFFAOYSA-N -1 0 373.391 -0.806 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)Nc3cccnn3)C2)CC1 ZINC000832036419 604555729 /nfs/dbraw/zinc/55/57/29/604555729.db2.gz KFFHLQORIYUJOQ-UHFFFAOYSA-N -1 0 370.391 -0.682 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)c3ccc(=O)[nH]c3)C2)CC1 ZINC000832036421 603940993 /nfs/dbraw/zinc/94/09/93/603940993.db2.gz KHUFSZXARQPMFP-UHFFFAOYSA-N -1 0 370.387 -0.763 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)NCCC3CC3)C2)CC1 ZINC000832036446 604886053 /nfs/dbraw/zinc/88/60/53/604886053.db2.gz LJEFERLKGZXFDS-UHFFFAOYSA-N -1 0 360.436 -0.194 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)CC(F)(F)F)C2)CC1 ZINC000832036458 603941025 /nfs/dbraw/zinc/94/10/25/603941025.db2.gz LVYYXEUHMVPSQN-UHFFFAOYSA-N -1 0 359.326 -0.225 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CCC[C@H]2CN2CCOCC2)CC1 ZINC000832036467 604076176 /nfs/dbraw/zinc/07/61/76/604076176.db2.gz LXBOVWMWFAVLLD-HNNXBMFYSA-N -1 0 369.466 -0.212 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CCC[C@@H]2CN2CCOCC2)CC1 ZINC000832036470 604076054 /nfs/dbraw/zinc/07/60/54/604076054.db2.gz LXBOVWMWFAVLLD-OAHLLOKOSA-N -1 0 369.466 -0.212 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)C3CC(F)(F)C3)C2)CC1 ZINC000832036482 603924303 /nfs/dbraw/zinc/92/43/03/603924303.db2.gz MAYQDJGXLUEQPV-UHFFFAOYSA-N -1 0 367.374 -0.132 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)c3ccccc3O)C2)CC1 ZINC000832036679 603737921 /nfs/dbraw/zinc/73/79/21/603737921.db2.gz MQYSAIUAQBVTFN-UHFFFAOYSA-N -1 0 369.399 -0.158 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)N3CCCCC3)C2)CC1 ZINC000832036687 603735414 /nfs/dbraw/zinc/73/54/14/603735414.db2.gz MVZHZBGRLRHNFK-UHFFFAOYSA-N -1 0 360.436 -0.098 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)NCC3CCC3)C2)CC1 ZINC000832036690 604877803 /nfs/dbraw/zinc/87/78/03/604877803.db2.gz MXXZMYPSFADAGY-UHFFFAOYSA-N -1 0 360.436 -0.194 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)c3ccc[nH]c3=O)C2)CC1 ZINC000832036763 603737923 /nfs/dbraw/zinc/73/79/23/603737923.db2.gz NYAVBTDIZBLYRW-UHFFFAOYSA-N -1 0 370.387 -0.763 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)CCn3cccn3)C2)CC1 ZINC000832036816 604060933 /nfs/dbraw/zinc/06/09/33/604060933.db2.gz ORPRNONABGKWQT-UHFFFAOYSA-N -1 0 371.419 -0.891 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3C[C@@H]3C3CC3)C2)CC1 ZINC000832036925 603544863 /nfs/dbraw/zinc/54/48/63/603544863.db2.gz PIDZLILKRXJJQL-CHWSQXEVSA-N -1 0 357.432 -0.131 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)[C@H]3C[C@@H]3C3CC3)C2)CC1 ZINC000832036927 603545053 /nfs/dbraw/zinc/54/50/53/603545053.db2.gz PIDZLILKRXJJQL-OLZOCXBDSA-N -1 0 357.432 -0.131 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1 ZINC000832036929 603544985 /nfs/dbraw/zinc/54/49/85/603544985.db2.gz PIDZLILKRXJJQL-QWHCGFSZSA-N -1 0 357.432 -0.131 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)[C@H]3C[C@H]3C3CC3)C2)CC1 ZINC000832036931 603545038 /nfs/dbraw/zinc/54/50/38/603545038.db2.gz PIDZLILKRXJJQL-STQMWFEESA-N -1 0 357.432 -0.131 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)CC1 ZINC000832036933 604115302 /nfs/dbraw/zinc/11/53/02/604115302.db2.gz PIFYFSXOBJHFMK-ITGUQSILSA-N -1 0 357.432 -0.131 20 0 FBADRM O=C([O-])N1CCN(CCNS(=O)(=O)c2cccc3nonc32)CC1 ZINC000832036945 604763025 /nfs/dbraw/zinc/76/30/25/604763025.db2.gz PNKOCRTTZKEROU-UHFFFAOYSA-N -1 0 355.376 -0.203 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CCC(OCCCO)CC2)CC1 ZINC000832036955 603762068 /nfs/dbraw/zinc/76/20/68/603762068.db2.gz PPQUMLLAGHLJBV-UHFFFAOYSA-N -1 0 358.439 -0.145 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CCOC3(CCOCC3)C2)CC1 ZINC000832037159 605296184 /nfs/dbraw/zinc/29/61/84/605296184.db2.gz QYNAWQJZNHLOFL-UHFFFAOYSA-N -1 0 356.423 -0.127 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)CCn3ccnc3)C2)CC1 ZINC000832037162 603941046 /nfs/dbraw/zinc/94/10/46/603941046.db2.gz QZNJUETUIWCTMU-UHFFFAOYSA-N -1 0 371.419 -0.891 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)NCc3ccoc3)C2)CC1 ZINC000832037166 604877782 /nfs/dbraw/zinc/87/77/82/604877782.db2.gz REAFAJRTUNUNAB-UHFFFAOYSA-N -1 0 372.403 -0.201 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)c3ccnc(F)c3)C2)CC1 ZINC000832037180 603555123 /nfs/dbraw/zinc/55/51/23/603555123.db2.gz RJHZTXORNAAADW-UHFFFAOYSA-N -1 0 372.378 -0.330 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)c3ccc(F)nc3)C2)CC1 ZINC000832037192 604061313 /nfs/dbraw/zinc/06/13/13/604061313.db2.gz RVPJZPLWUWCHIX-UHFFFAOYSA-N -1 0 372.378 -0.330 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)c3cc[nH]c(=O)c3)C2)CC1 ZINC000832037199 604518815 /nfs/dbraw/zinc/51/88/15/604518815.db2.gz SEZDACKWTODJQA-UHFFFAOYSA-N -1 0 370.387 -0.763 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)C3CCOCC3)C2)CC1 ZINC000832037217 603553090 /nfs/dbraw/zinc/55/30/90/603553090.db2.gz SXPICARLRMEHBW-UHFFFAOYSA-N -1 0 361.420 -0.751 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)C[C@H]3CCCO3)C2)CC1 ZINC000832037239 603941070 /nfs/dbraw/zinc/94/10/70/603941070.db2.gz UGWLAKBORISWHI-LLVKDONJSA-N -1 0 361.420 -0.608 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)C[C@@H]3CCCO3)C2)CC1 ZINC000832037240 603940980 /nfs/dbraw/zinc/94/09/80/603940980.db2.gz UGWLAKBORISWHI-NSHDSACASA-N -1 0 361.420 -0.608 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)NCc3ccco3)C2)CC1 ZINC000832037249 603735668 /nfs/dbraw/zinc/73/56/68/603735668.db2.gz ULOSWZNVOBGDNT-UHFFFAOYSA-N -1 0 372.403 -0.201 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)Nc3ccccn3)C2)CC1 ZINC000832037251 603735775 /nfs/dbraw/zinc/73/57/75/603735775.db2.gz UMRCEONQYFGMKN-UHFFFAOYSA-N -1 0 369.403 -0.077 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)C3(O)CCCC3)C2)CC1 ZINC000832037317 603940976 /nfs/dbraw/zinc/94/09/76/603940976.db2.gz UMVZTLMOQVNOAH-UHFFFAOYSA-N -1 0 361.420 -0.872 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)c3ccncc3)C2)CC1 ZINC000832037403 603555062 /nfs/dbraw/zinc/55/50/62/603555062.db2.gz VTUBHZPXPIIMDP-UHFFFAOYSA-N -1 0 354.388 -0.469 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CCC[C@@H](n3cncn3)C2)CC1 ZINC000832037453 604077926 /nfs/dbraw/zinc/07/79/26/604077926.db2.gz XPOIGFBZZJFNHC-CYBMUJFWSA-N -1 0 351.411 -0.080 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CCC[C@H](n3cncn3)C2)CC1 ZINC000832037455 604079082 /nfs/dbraw/zinc/07/90/82/604079082.db2.gz XPOIGFBZZJFNHC-ZDUSSCGKSA-N -1 0 351.411 -0.080 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)Cc3cccnc3)C2)CC1 ZINC000832037475 603553242 /nfs/dbraw/zinc/55/32/42/603553242.db2.gz XYCYVAZXYNKBTM-UHFFFAOYSA-N -1 0 368.415 -0.540 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)Cc3ccon3)C2)CC1 ZINC000832037570 604061011 /nfs/dbraw/zinc/06/10/11/604061011.db2.gz YGYPHABYKSULHO-UHFFFAOYSA-N -1 0 358.376 -0.947 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(Cc3noc(C4CC4)n3)C2)CC1 ZINC000832041774 604100211 /nfs/dbraw/zinc/10/02/11/604100211.db2.gz AHOYGWHCCLTMOG-UHFFFAOYSA-N -1 0 371.419 -0.243 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)c3cscn3)C2)CC1 ZINC000832041802 603552975 /nfs/dbraw/zinc/55/29/75/603552975.db2.gz BEFWKGQIYQIIQC-UHFFFAOYSA-N -1 0 360.417 -0.407 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)c3cncc(O)c3)C2)CC1 ZINC000832041803 603940932 /nfs/dbraw/zinc/94/09/32/603940932.db2.gz BFMLRCYPYRPWHR-UHFFFAOYSA-N -1 0 370.387 -0.763 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(c3ncc(Cl)cn3)C2)CC1 ZINC000832041809 603886568 /nfs/dbraw/zinc/88/65/68/603886568.db2.gz BIYFGNSQCSULBG-UHFFFAOYSA-N -1 0 361.811 -0.056 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(S(=O)(=O)CC3CC3)C2)CC1 ZINC000832041850 603920710 /nfs/dbraw/zinc/92/07/10/603920710.db2.gz CQEJDBYORRGDQS-UHFFFAOYSA-N -1 0 367.449 -0.964 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(CCc3ccncc3)C2)CC1 ZINC000832041863 603919177 /nfs/dbraw/zinc/91/91/77/603919177.db2.gz DHXZECGYRYYQBS-UHFFFAOYSA-N -1 0 354.432 -0.066 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCN(C(=O)C4CC4)CC3)C[C@H]2C1 ZINC000832041898 603596962 /nfs/dbraw/zinc/59/69/62/603596962.db2.gz FQCNKUPMQQLYOV-CYBMUJFWSA-N -1 0 351.407 -0.402 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCN(C(=O)C4CC4)CC3)C[C@@H]2C1 ZINC000832041899 603596604 /nfs/dbraw/zinc/59/66/04/603596604.db2.gz FQCNKUPMQQLYOV-ZDUSSCGKSA-N -1 0 351.407 -0.402 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(CCC3OCCCO3)C2)CC1 ZINC000832041916 604116471 /nfs/dbraw/zinc/11/64/71/604116471.db2.gz GAQCCZYYDIAATA-UHFFFAOYSA-N -1 0 363.436 -0.551 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCOC4(CCOCC4)C3)C[C@H]2C1 ZINC000832041943 605239970 /nfs/dbraw/zinc/23/99/70/605239970.db2.gz GYJPYDCPKXUAIW-CYBMUJFWSA-N -1 0 354.407 -0.075 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCOC4(CCOCC4)C3)C[C@@H]2C1 ZINC000832041944 605240267 /nfs/dbraw/zinc/24/02/67/605240267.db2.gz GYJPYDCPKXUAIW-ZDUSSCGKSA-N -1 0 354.407 -0.075 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(CCCN3CCCC3=O)C2)CC1 ZINC000832041997 603919032 /nfs/dbraw/zinc/91/90/32/603919032.db2.gz HYFXAXMDYBERNG-UHFFFAOYSA-N -1 0 374.463 -0.692 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(CCn3ccccc3=O)C2)CC1 ZINC000832042036 604099983 /nfs/dbraw/zinc/09/99/83/604099983.db2.gz JBGNWNNXNPDAOU-UHFFFAOYSA-N -1 0 370.431 -0.842 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(Cc3cc(=O)c(O)co3)C2)CC1 ZINC000832042041 603919077 /nfs/dbraw/zinc/91/90/77/603919077.db2.gz JJBGBVONIPXESF-UHFFFAOYSA-N -1 0 373.387 -0.845 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCO[C@H]([C@@H]4CCCO4)C3)C[C@@H]2C1 ZINC000832042176 603607824 /nfs/dbraw/zinc/60/78/24/603607824.db2.gz KMILVPZEFGLYJN-IHRRRGAJSA-N -1 0 354.407 -0.077 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCO[C@H]([C@H]4CCCO4)C3)C[C@H]2C1 ZINC000832042177 603608061 /nfs/dbraw/zinc/60/80/61/603608061.db2.gz KMILVPZEFGLYJN-MCIONIFRSA-N -1 0 354.407 -0.077 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCO[C@H]([C@H]4CCCO4)C3)C[C@@H]2C1 ZINC000832042178 603607199 /nfs/dbraw/zinc/60/71/99/603607199.db2.gz KMILVPZEFGLYJN-MJBXVCDLSA-N -1 0 354.407 -0.077 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCO[C@H]([C@@H]4CCCO4)C3)C[C@H]2C1 ZINC000832042179 603607222 /nfs/dbraw/zinc/60/72/22/603607222.db2.gz KMILVPZEFGLYJN-RDBSUJKOSA-N -1 0 354.407 -0.077 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(CCc3ccccn3)C2)CC1 ZINC000832042187 604100167 /nfs/dbraw/zinc/10/01/67/604100167.db2.gz KWCWPCJCTKQRPC-UHFFFAOYSA-N -1 0 354.432 -0.066 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCN(c4cccnn4)CC3)C[C@H]2C1 ZINC000832042215 603602496 /nfs/dbraw/zinc/60/24/96/603602496.db2.gz LWRCCAQUINMALI-CYBMUJFWSA-N -1 0 361.406 -0.344 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCN(c4cccnn4)CC3)C[C@@H]2C1 ZINC000832042216 603602305 /nfs/dbraw/zinc/60/23/05/603602305.db2.gz LWRCCAQUINMALI-ZDUSSCGKSA-N -1 0 361.406 -0.344 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCO[C@H](Cn4cccn4)C3)C[C@@H]2C1 ZINC000832042234 603605828 /nfs/dbraw/zinc/60/58/28/603605828.db2.gz MMGXVFQHALKJLB-KBPBESRZSA-N -1 0 364.406 -0.359 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCO[C@H](Cn4cccn4)C3)C[C@H]2C1 ZINC000832042235 603605715 /nfs/dbraw/zinc/60/57/15/603605715.db2.gz MMGXVFQHALKJLB-KGLIPLIRSA-N -1 0 364.406 -0.359 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCO[C@@H](Cn4cccn4)C3)C[C@@H]2C1 ZINC000832042236 603605395 /nfs/dbraw/zinc/60/53/95/603605395.db2.gz MMGXVFQHALKJLB-UONOGXRCSA-N -1 0 364.406 -0.359 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCO[C@@H](Cn4cccn4)C3)C[C@H]2C1 ZINC000832042237 603605833 /nfs/dbraw/zinc/60/58/33/603605833.db2.gz MMGXVFQHALKJLB-ZIAGYGMSSA-N -1 0 364.406 -0.359 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCO[C@@H](Cn4cncn4)C3)C[C@H]2C1 ZINC000832042429 603605488 /nfs/dbraw/zinc/60/54/88/603605488.db2.gz NRQCFVPIJSEKSO-CHWSQXEVSA-N -1 0 365.394 -0.964 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCO[C@H](Cn4cncn4)C3)C[C@H]2C1 ZINC000832042430 603606875 /nfs/dbraw/zinc/60/68/75/603606875.db2.gz NRQCFVPIJSEKSO-OLZOCXBDSA-N -1 0 365.394 -0.964 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCO[C@@H](Cn4cncn4)C3)C[C@@H]2C1 ZINC000832042431 603606733 /nfs/dbraw/zinc/60/67/33/603606733.db2.gz NRQCFVPIJSEKSO-QWHCGFSZSA-N -1 0 365.394 -0.964 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCO[C@H](Cn4cncn4)C3)C[C@@H]2C1 ZINC000832042432 603606871 /nfs/dbraw/zinc/60/68/71/603606871.db2.gz NRQCFVPIJSEKSO-STQMWFEESA-N -1 0 365.394 -0.964 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(Cc3nc(C4CC4)no3)C2)CC1 ZINC000832042451 603918822 /nfs/dbraw/zinc/91/88/22/603918822.db2.gz OCTMZIGEXKTZKL-UHFFFAOYSA-N -1 0 371.419 -0.243 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(c3ncnc4n[nH]cc43)C2)CC1 ZINC000832042554 603886010 /nfs/dbraw/zinc/88/60/10/603886010.db2.gz PJVPQISQCCAGRR-UHFFFAOYSA-N -1 0 367.391 -0.833 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CC[C@H](N4CCOCC4)C3)C[C@@H]2C1 ZINC000832042600 603608824 /nfs/dbraw/zinc/60/88/24/603608824.db2.gz PUJINYWHGOHHLM-KBPBESRZSA-N -1 0 353.423 -0.550 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CC[C@@H](N4CCOCC4)C3)C[C@@H]2C1 ZINC000832042602 603608410 /nfs/dbraw/zinc/60/84/10/603608410.db2.gz PUJINYWHGOHHLM-KGLIPLIRSA-N -1 0 353.423 -0.550 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CC[C@H](N4CCOCC4)C3)C[C@H]2C1 ZINC000832042603 603608753 /nfs/dbraw/zinc/60/87/53/603608753.db2.gz PUJINYWHGOHHLM-UONOGXRCSA-N -1 0 353.423 -0.550 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CC[C@@H](N4CCOCC4)C3)C[C@H]2C1 ZINC000832042605 603608900 /nfs/dbraw/zinc/60/89/00/603608900.db2.gz PUJINYWHGOHHLM-ZIAGYGMSSA-N -1 0 353.423 -0.550 20 0 FBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)C3(C(=O)NC4CC4)CC3)n2)CC1 ZINC000832042897 603962553 /nfs/dbraw/zinc/96/25/53/603962553.db2.gz SKZCXULASKJFCR-UHFFFAOYSA-N -1 0 363.378 -0.398 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)c3cncs3)C2)CC1 ZINC000832043017 603937869 /nfs/dbraw/zinc/93/78/69/603937869.db2.gz UCBZVOLSJKHKQQ-UHFFFAOYSA-N -1 0 360.417 -0.407 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCC[C@@H]3CN3CCOCC3)C[C@@H]2C1 ZINC000832043068 603609136 /nfs/dbraw/zinc/60/91/36/603609136.db2.gz UNWYVOZWUAZFQB-CABCVRRESA-N -1 0 367.450 -0.160 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCC[C@H]3CN3CCOCC3)C[C@@H]2C1 ZINC000832043072 603609025 /nfs/dbraw/zinc/60/90/25/603609025.db2.gz UNWYVOZWUAZFQB-GJZGRUSLSA-N -1 0 367.450 -0.160 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCC[C@@H]3CN3CCOCC3)C[C@H]2C1 ZINC000832043076 603609084 /nfs/dbraw/zinc/60/90/84/603609084.db2.gz UNWYVOZWUAZFQB-HUUCEWRRSA-N -1 0 367.450 -0.160 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCC[C@H]3CN3CCOCC3)C[C@H]2C1 ZINC000832043080 603609153 /nfs/dbraw/zinc/60/91/53/603609153.db2.gz UNWYVOZWUAZFQB-LSDHHAIUSA-N -1 0 367.450 -0.160 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCN(c4cnccn4)CC3)C[C@H]2C1 ZINC000832043086 603598851 /nfs/dbraw/zinc/59/88/51/603598851.db2.gz UPETYEOXNGBNCB-CYBMUJFWSA-N -1 0 361.406 -0.344 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCN(c4cnccn4)CC3)C[C@@H]2C1 ZINC000832043089 603598877 /nfs/dbraw/zinc/59/88/77/603598877.db2.gz UPETYEOXNGBNCB-ZDUSSCGKSA-N -1 0 361.406 -0.344 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(CC(=O)N3CCCCC3)C2)CC1 ZINC000832043114 603919026 /nfs/dbraw/zinc/91/90/26/603919026.db2.gz UYBAWSTWBPZNNC-UHFFFAOYSA-N -1 0 374.463 -0.692 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)c3ccncc3F)C2)CC1 ZINC000832043144 603941044 /nfs/dbraw/zinc/94/10/44/603941044.db2.gz VIRWTZOABGAWBZ-UHFFFAOYSA-N -1 0 372.378 -0.330 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(CCc3cccnc3)C2)CC1 ZINC000832043155 604101125 /nfs/dbraw/zinc/10/11/25/604101125.db2.gz VQYSWLNRGXVDNZ-UHFFFAOYSA-N -1 0 354.432 -0.066 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)c3ncccc3O)C2)CC1 ZINC000832043340 603938373 /nfs/dbraw/zinc/93/83/73/603938373.db2.gz WUISXKYTHWYTJK-UHFFFAOYSA-N -1 0 370.387 -0.763 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(c3ncnc4c3CCC4)C2)CC1 ZINC000832043402 603886202 /nfs/dbraw/zinc/88/62/02/603886202.db2.gz XIUVDYSUBODLDK-UHFFFAOYSA-N -1 0 367.431 -0.221 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN(C3CC3)[C@@H]3CCS(=O)(=O)C3)C[C@H]2C1 ZINC000832043429 603598982 /nfs/dbraw/zinc/59/89/82/603598982.db2.gz XRTNPXNIFCDIKT-CHWSQXEVSA-N -1 0 372.447 -0.305 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN(C3CC3)[C@@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC000832043431 603598539 /nfs/dbraw/zinc/59/85/39/603598539.db2.gz XRTNPXNIFCDIKT-OLZOCXBDSA-N -1 0 372.447 -0.305 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN(C3CC3)[C@H]3CCS(=O)(=O)C3)C[C@H]2C1 ZINC000832043432 603599044 /nfs/dbraw/zinc/59/90/44/603599044.db2.gz XRTNPXNIFCDIKT-QWHCGFSZSA-N -1 0 372.447 -0.305 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN(C3CC3)[C@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC000832043435 603598912 /nfs/dbraw/zinc/59/89/12/603598912.db2.gz XRTNPXNIFCDIKT-STQMWFEESA-N -1 0 372.447 -0.305 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(Cc3nnc(C4CC4)o3)C2)CC1 ZINC000832043464 603918923 /nfs/dbraw/zinc/91/89/23/603918923.db2.gz XWHJLUHKMFIBLF-UHFFFAOYSA-N -1 0 371.419 -0.243 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCN(c4ncccn4)CC3)C[C@H]2C1 ZINC000832043496 603596367 /nfs/dbraw/zinc/59/63/67/603596367.db2.gz YCHXHDHRQRGKPT-CYBMUJFWSA-N -1 0 361.406 -0.344 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCN(c4ncccn4)CC3)C[C@@H]2C1 ZINC000832043500 603596647 /nfs/dbraw/zinc/59/66/47/603596647.db2.gz YCHXHDHRQRGKPT-ZDUSSCGKSA-N -1 0 361.406 -0.344 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(c3ncnc4[nH]ccc43)C2)CC1 ZINC000832043538 603885955 /nfs/dbraw/zinc/88/59/55/603885955.db2.gz YSMRLWHMOWGJHK-UHFFFAOYSA-N -1 0 366.403 -0.228 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)c3cncc(F)c3)C2)CC1 ZINC000832043664 604306597 /nfs/dbraw/zinc/30/65/97/604306597.db2.gz ZUQAOBULRWXCFZ-UHFFFAOYSA-N -1 0 372.378 -0.330 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000832048905 604822774 /nfs/dbraw/zinc/82/27/74/604822774.db2.gz ATQDRVODZYZLPD-CHWSQXEVSA-N -1 0 355.391 -0.395 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000832048906 604822650 /nfs/dbraw/zinc/82/26/50/604822650.db2.gz ATQDRVODZYZLPD-OLZOCXBDSA-N -1 0 355.391 -0.395 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000832048907 604822585 /nfs/dbraw/zinc/82/25/85/604822585.db2.gz ATQDRVODZYZLPD-QWHCGFSZSA-N -1 0 355.391 -0.395 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000832048908 604822564 /nfs/dbraw/zinc/82/25/64/604822564.db2.gz ATQDRVODZYZLPD-STQMWFEESA-N -1 0 355.391 -0.395 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000832048961 604664799 /nfs/dbraw/zinc/66/47/99/604664799.db2.gz BKTWRCWNTRMPHL-AWEZNQCLSA-N -1 0 368.434 -0.478 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000832048962 604664716 /nfs/dbraw/zinc/66/47/16/604664716.db2.gz BKTWRCWNTRMPHL-CQSZACIVSA-N -1 0 368.434 -0.478 20 0 FBADRM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCN(S(N)(=O)=O)CC2)c1 ZINC000832049819 604455132 /nfs/dbraw/zinc/45/51/32/604455132.db2.gz KKJMDIMKJAOAGY-CYBMUJFWSA-N -1 0 359.404 -0.349 20 0 FBADRM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCN(S(N)(=O)=O)CC2)c1 ZINC000832049821 604455439 /nfs/dbraw/zinc/45/54/39/604455439.db2.gz KKJMDIMKJAOAGY-ZDUSSCGKSA-N -1 0 359.404 -0.349 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC(C(=O)N3CCOCC3)CC2)C1 ZINC000832049852 604653014 /nfs/dbraw/zinc/65/30/14/604653014.db2.gz KFQASIUNYPLRRI-CYBMUJFWSA-N -1 0 355.391 -0.537 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC(C(=O)N3CCOCC3)CC2)C1 ZINC000832049854 604653502 /nfs/dbraw/zinc/65/35/02/604653502.db2.gz KFQASIUNYPLRRI-ZDUSSCGKSA-N -1 0 355.391 -0.537 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000832049874 604655698 /nfs/dbraw/zinc/65/56/98/604655698.db2.gz KNHLHCGRRBMSLL-CYBMUJFWSA-N -1 0 354.407 -0.868 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000832049876 604655920 /nfs/dbraw/zinc/65/59/20/604655920.db2.gz KNHLHCGRRBMSLL-ZDUSSCGKSA-N -1 0 354.407 -0.868 20 0 FBADRM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 ZINC000832049938 604483430 /nfs/dbraw/zinc/48/34/30/604483430.db2.gz LDVHRQDZBUGJPQ-BXUZGUMPSA-N -1 0 363.370 -0.528 20 0 FBADRM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCN3C(=O)C(=O)NC[C@H]3C2)c1 ZINC000832049939 604483156 /nfs/dbraw/zinc/48/31/56/604483156.db2.gz LDVHRQDZBUGJPQ-FZMZJTMJSA-N -1 0 363.370 -0.528 20 0 FBADRM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 ZINC000832049942 604483491 /nfs/dbraw/zinc/48/34/91/604483491.db2.gz LDVHRQDZBUGJPQ-RISCZKNCSA-N -1 0 363.370 -0.528 20 0 FBADRM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCN3C(=O)C(=O)NC[C@H]3C2)c1 ZINC000832049947 604483571 /nfs/dbraw/zinc/48/35/71/604483571.db2.gz LDVHRQDZBUGJPQ-SMDDNHRTSA-N -1 0 363.370 -0.528 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1 ZINC000832050025 604814844 /nfs/dbraw/zinc/81/48/44/604814844.db2.gz MNUSXYFCZOAHRG-GFCCVEGCSA-N -1 0 364.358 -0.550 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1 ZINC000832050026 604814837 /nfs/dbraw/zinc/81/48/37/604814837.db2.gz MNUSXYFCZOAHRG-LBPRGKRZSA-N -1 0 364.358 -0.550 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000832050773 604670574 /nfs/dbraw/zinc/67/05/74/604670574.db2.gz SGWGJLCDSYWCFR-CHWSQXEVSA-N -1 0 355.391 -0.537 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000832050774 604670589 /nfs/dbraw/zinc/67/05/89/604670589.db2.gz SGWGJLCDSYWCFR-OLZOCXBDSA-N -1 0 355.391 -0.537 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000832050975 604670484 /nfs/dbraw/zinc/67/04/84/604670484.db2.gz SGWGJLCDSYWCFR-QWHCGFSZSA-N -1 0 355.391 -0.537 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000832050979 604670487 /nfs/dbraw/zinc/67/04/87/604670487.db2.gz SGWGJLCDSYWCFR-STQMWFEESA-N -1 0 355.391 -0.537 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000832051586 604939329 /nfs/dbraw/zinc/93/93/29/604939329.db2.gz XITGWYGFULAIMO-LLVKDONJSA-N -1 0 361.362 -0.848 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000832051588 604939118 /nfs/dbraw/zinc/93/91/18/604939118.db2.gz XITGWYGFULAIMO-NSHDSACASA-N -1 0 361.362 -0.848 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)C1 ZINC000832051849 604906952 /nfs/dbraw/zinc/90/69/52/604906952.db2.gz ZVLCYGYARFLCMH-AWEZNQCLSA-N -1 0 368.434 -0.478 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)C1 ZINC000832051850 604906615 /nfs/dbraw/zinc/90/66/15/604906615.db2.gz ZVLCYGYARFLCMH-CQSZACIVSA-N -1 0 368.434 -0.478 20 0 FBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CCN(CCn3cncn3)CC2)C1 ZINC000832059914 604948422 /nfs/dbraw/zinc/94/84/22/604948422.db2.gz CWPXILWHUBWCCE-CYBMUJFWSA-N -1 0 352.395 -0.809 20 0 FBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CCN(CCn3cncn3)CC2)C1 ZINC000832059915 604948389 /nfs/dbraw/zinc/94/83/89/604948389.db2.gz CWPXILWHUBWCCE-ZDUSSCGKSA-N -1 0 352.395 -0.809 20 0 FBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000832060291 604655723 /nfs/dbraw/zinc/65/57/23/604655723.db2.gz ISTSMLAQDKSWFM-AWEZNQCLSA-N -1 0 368.434 -0.478 20 0 FBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000832060292 604655906 /nfs/dbraw/zinc/65/59/06/604655906.db2.gz ISTSMLAQDKSWFM-CQSZACIVSA-N -1 0 368.434 -0.478 20 0 FBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000832060441 604822879 /nfs/dbraw/zinc/82/28/79/604822879.db2.gz LFLXOULBZSRLFH-KBPBESRZSA-N -1 0 369.418 -0.005 20 0 FBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000832060442 604822642 /nfs/dbraw/zinc/82/26/42/604822642.db2.gz LFLXOULBZSRLFH-KGLIPLIRSA-N -1 0 369.418 -0.005 20 0 FBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000832060443 604822666 /nfs/dbraw/zinc/82/26/66/604822666.db2.gz LFLXOULBZSRLFH-UONOGXRCSA-N -1 0 369.418 -0.005 20 0 FBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000832060444 604822697 /nfs/dbraw/zinc/82/26/97/604822697.db2.gz LFLXOULBZSRLFH-ZIAGYGMSSA-N -1 0 369.418 -0.005 20 0 FBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)C1 ZINC000832060689 604653175 /nfs/dbraw/zinc/65/31/75/604653175.db2.gz PUDDBLOILMKCPW-AWEZNQCLSA-N -1 0 369.418 -0.147 20 0 FBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)C1 ZINC000832060690 604653409 /nfs/dbraw/zinc/65/34/09/604653409.db2.gz PUDDBLOILMKCPW-CQSZACIVSA-N -1 0 369.418 -0.147 20 0 FBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000832060803 604649775 /nfs/dbraw/zinc/64/97/75/604649775.db2.gz RGZMSACQAZXXOH-CHWSQXEVSA-N -1 0 355.391 -0.395 20 0 FBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000832060804 604649792 /nfs/dbraw/zinc/64/97/92/604649792.db2.gz RGZMSACQAZXXOH-OLZOCXBDSA-N -1 0 355.391 -0.395 20 0 FBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000832060805 604649715 /nfs/dbraw/zinc/64/97/15/604649715.db2.gz RGZMSACQAZXXOH-QWHCGFSZSA-N -1 0 355.391 -0.395 20 0 FBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000832060806 604649913 /nfs/dbraw/zinc/64/99/13/604649913.db2.gz RGZMSACQAZXXOH-STQMWFEESA-N -1 0 355.391 -0.395 20 0 FBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000832061367 604670611 /nfs/dbraw/zinc/67/06/11/604670611.db2.gz XUEWKISWAHXSHR-KBPBESRZSA-N -1 0 369.418 -0.147 20 0 FBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000832061368 604670430 /nfs/dbraw/zinc/67/04/30/604670430.db2.gz XUEWKISWAHXSHR-KGLIPLIRSA-N -1 0 369.418 -0.147 20 0 FBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000832061369 604670375 /nfs/dbraw/zinc/67/03/75/604670375.db2.gz XUEWKISWAHXSHR-UONOGXRCSA-N -1 0 369.418 -0.147 20 0 FBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000832061370 604670527 /nfs/dbraw/zinc/67/05/27/604670527.db2.gz XUEWKISWAHXSHR-ZIAGYGMSSA-N -1 0 369.418 -0.147 20 0 FBADRM COc1cc(OC)cc([C@H](O)CNC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000832068418 602397534 /nfs/dbraw/zinc/39/75/34/602397534.db2.gz WUQWXBOWSGDCEA-CYBMUJFWSA-N -1 0 350.331 -0.157 20 0 FBADRM COc1cc(OC)cc([C@@H](O)CNC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000832068421 602397553 /nfs/dbraw/zinc/39/75/53/602397553.db2.gz WUQWXBOWSGDCEA-ZDUSSCGKSA-N -1 0 350.331 -0.157 20 0 FBADRM COc1cc(OC)cc([C@@H](OC(=O)CN2CC(=O)NC2=O)C(=O)[O-])c1 ZINC000832072540 604582536 /nfs/dbraw/zinc/58/25/36/604582536.db2.gz CSACICPXWVVFEZ-CYBMUJFWSA-N -1 0 352.299 -0.076 20 0 FBADRM COc1cc(OC)cc([C@H](OC(=O)CN2CC(=O)NC2=O)C(=O)[O-])c1 ZINC000832072542 604582779 /nfs/dbraw/zinc/58/27/79/604582779.db2.gz CSACICPXWVVFEZ-ZDUSSCGKSA-N -1 0 352.299 -0.076 20 0 FBADRM COc1cc(OC)cc([C@@H](OC(=O)c2cn(CC(N)=O)nn2)C(=O)[O-])c1 ZINC000832081092 604591508 /nfs/dbraw/zinc/59/15/08/604591508.db2.gz YWLCXEZRTSVXFI-CYBMUJFWSA-N -1 0 364.314 -0.237 20 0 FBADRM COc1cc(OC)cc([C@H](OC(=O)c2cn(CC(N)=O)nn2)C(=O)[O-])c1 ZINC000832081093 604591441 /nfs/dbraw/zinc/59/14/41/604591441.db2.gz YWLCXEZRTSVXFI-ZDUSSCGKSA-N -1 0 364.314 -0.237 20 0 FBADRM COc1cc(OC)cc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC000832095897 604652103 /nfs/dbraw/zinc/65/21/03/604652103.db2.gz ODTATQYEKXRPMJ-GFCCVEGCSA-N -1 0 358.372 -0.332 20 0 FBADRM COc1cc(OC)cc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC000832095899 604651897 /nfs/dbraw/zinc/65/18/97/604651897.db2.gz ODTATQYEKXRPMJ-LBPRGKRZSA-N -1 0 358.372 -0.332 20 0 FBADRM COc1cc2c(nn1)CCN(S(=O)(=O)c1cnn(CC(=O)[O-])c1)C2 ZINC000832111161 602211576 /nfs/dbraw/zinc/21/15/76/602211576.db2.gz CCGAPHRRUPIICR-UHFFFAOYSA-N -1 0 353.360 -0.487 20 0 FBADRM COc1cc2c(nn1)CCN(S(=O)(=O)N1CCC(C(=O)[O-])CC1)C2 ZINC000832111278 602213763 /nfs/dbraw/zinc/21/37/63/602213763.db2.gz DPBKAFZEOVRWLZ-UHFFFAOYSA-N -1 0 356.404 -0.115 20 0 FBADRM O=C([O-])N[C@@H](CC(=O)OCC(=O)N1CCNC(=O)C1)Cc1ccccc1 ZINC000832113857 604063188 /nfs/dbraw/zinc/06/31/88/604063188.db2.gz MDUSKEJVUWRKGX-CYBMUJFWSA-N -1 0 363.370 -0.243 20 0 FBADRM O=C([O-])N[C@H](CC(=O)OCC(=O)N1CCNC(=O)C1)Cc1ccccc1 ZINC000832113858 604062832 /nfs/dbraw/zinc/06/28/32/604062832.db2.gz MDUSKEJVUWRKGX-ZDUSSCGKSA-N -1 0 363.370 -0.243 20 0 FBADRM O=C([O-])NC(CNC(=O)C1(O)CCCC1)CNC(=O)C1(O)CCCC1 ZINC000832119211 604153734 /nfs/dbraw/zinc/15/37/34/604153734.db2.gz HXVQLQDLOOZXMK-UHFFFAOYSA-N -1 0 357.407 -0.535 20 0 FBADRM O=C([O-])N[C@@H](CNC(=O)[C@@H]1CCCOC1)CNC(=O)[C@H]1CCCOC1 ZINC000832120008 603638351 /nfs/dbraw/zinc/63/83/51/603638351.db2.gz LZZSEYNZOPCZKN-ITGUQSILSA-N -1 0 357.407 -0.292 20 0 FBADRM O=C([O-])NC(CNC(=O)[C@H]1CCCOC1)CNC(=O)[C@H]1CCCOC1 ZINC000832120010 603638506 /nfs/dbraw/zinc/63/85/06/603638506.db2.gz LZZSEYNZOPCZKN-RYUDHWBXSA-N -1 0 357.407 -0.292 20 0 FBADRM O=C([O-])NC(CNC(=O)[C@@H]1CCCOC1)CNC(=O)[C@@H]1CCCOC1 ZINC000832120012 603638318 /nfs/dbraw/zinc/63/83/18/603638318.db2.gz LZZSEYNZOPCZKN-VXGBXAGGSA-N -1 0 357.407 -0.292 20 0 FBADRM O=C([O-])NC(CNC(=O)[C@H]1CCCCO1)CNC(=O)[C@H]1CCCCO1 ZINC000832120809 605324230 /nfs/dbraw/zinc/32/42/30/605324230.db2.gz RLVKMFZKPSNHGQ-CHWSQXEVSA-N -1 0 357.407 -0.007 20 0 FBADRM O=C([O-])NC(CNC(=O)[C@@H]1CCCCO1)CNC(=O)[C@@H]1CCCCO1 ZINC000832120819 605324276 /nfs/dbraw/zinc/32/42/76/605324276.db2.gz RLVKMFZKPSNHGQ-STQMWFEESA-N -1 0 357.407 -0.007 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)[C@H]1CCCCO1)CNC(=O)[C@@H]1CCCCO1 ZINC000832120821 605324589 /nfs/dbraw/zinc/32/45/89/605324589.db2.gz RLVKMFZKPSNHGQ-XYYAHUGASA-N -1 0 357.407 -0.007 20 0 FBADRM COc1ccc(C2N=NC(=S)N2CC(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC000832134108 661154407 /nfs/dbraw/zinc/15/44/07/661154407.db2.gz LCGVSVDEYJZPDQ-JTQLQIEISA-N -1 0 352.372 -0.196 20 0 FBADRM COc1ccc(C2N=NC(=S)N2CC(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC000832134109 661154470 /nfs/dbraw/zinc/15/44/70/661154470.db2.gz LCGVSVDEYJZPDQ-SNVBAGLBSA-N -1 0 352.372 -0.196 20 0 FBADRM COc1ccc(-n2cc(CNC(=O)Cn3cc(C(=O)[O-])nn3)nn2)cc1 ZINC000832138383 601720601 /nfs/dbraw/zinc/72/06/01/601720601.db2.gz FTSIVEQIHYXDHT-UHFFFAOYSA-N -1 0 357.330 -0.118 20 0 FBADRM O=C([O-])NC(CNC(=O)c1cnsn1)CNC(=O)c1cnsn1 ZINC000832140515 603639147 /nfs/dbraw/zinc/63/91/47/603639147.db2.gz LPKIJOUWUGGRQT-UHFFFAOYSA-N -1 0 357.377 -0.814 20 0 FBADRM O=C([O-])NC(CNC(=O)c1cnns1)CNC(=O)c1cnns1 ZINC000832141470 603639038 /nfs/dbraw/zinc/63/90/38/603639038.db2.gz SCNPTHNWUZJTRK-UHFFFAOYSA-N -1 0 357.377 -0.814 20 0 FBADRM O=C([O-])NC(CNC(=O)c1csnn1)CNC(=O)c1csnn1 ZINC000832141518 603639192 /nfs/dbraw/zinc/63/91/92/603639192.db2.gz SQFAWCVJMMNTHA-UHFFFAOYSA-N -1 0 357.377 -0.814 20 0 FBADRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000832141829 603990271 /nfs/dbraw/zinc/99/02/71/603990271.db2.gz WIGLPWDJEKSORG-CYBMUJFWSA-N -1 0 370.427 -0.079 20 0 FBADRM O=C([O-])NC1(C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)CC1 ZINC000832150958 604478179 /nfs/dbraw/zinc/47/81/79/604478179.db2.gz ADYSKWMFHWHTHH-UHFFFAOYSA-N -1 0 354.392 -0.579 20 0 FBADRM O=C([O-])NC1(C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 ZINC000832151601 604475816 /nfs/dbraw/zinc/47/58/16/604475816.db2.gz ORUVEGIZASWKDT-UHFFFAOYSA-N -1 0 358.376 -0.551 20 0 FBADRM O=C([O-])NC1(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)Cc2ccccc2C1 ZINC000832151697 603820501 /nfs/dbraw/zinc/82/05/01/603820501.db2.gz QMMBYWXFJPOOEQ-INIZCTEOSA-N -1 0 358.354 -0.398 20 0 FBADRM O=C([O-])NC1(C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)Cc2ccccc2C1 ZINC000832151698 603820519 /nfs/dbraw/zinc/82/05/19/603820519.db2.gz QMMBYWXFJPOOEQ-MRXNPFEDSA-N -1 0 358.354 -0.398 20 0 FBADRM O=C([O-])NC1(C(=O)N2CCC3(CC2)NC(=O)NC3=O)Cc2ccccc2C1 ZINC000832152108 603644299 /nfs/dbraw/zinc/64/42/99/603644299.db2.gz XLOSLDWGGQDQHS-UHFFFAOYSA-N -1 0 372.381 -0.008 20 0 FBADRM O=C([O-])NC1(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)Cc2ccccc2C1 ZINC000832155651 603772686 /nfs/dbraw/zinc/77/26/86/603772686.db2.gz LJGBXBPFHHTITJ-GFCCVEGCSA-N -1 0 358.358 -0.095 20 0 FBADRM O=C([O-])NC1(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)Cc2ccccc2C1 ZINC000832155652 603772755 /nfs/dbraw/zinc/77/27/55/603772755.db2.gz LJGBXBPFHHTITJ-LBPRGKRZSA-N -1 0 358.358 -0.095 20 0 FBADRM O=C([O-])NC1(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000832167390 604450492 /nfs/dbraw/zinc/45/04/92/604450492.db2.gz DXJIZPXIKWUFBJ-UHFFFAOYSA-N -1 0 362.390 -0.568 20 0 FBADRM O=C([O-])NC1(C(=O)NCCNS(=O)(=O)Cc2ccon2)CCCC1 ZINC000832168722 603998273 /nfs/dbraw/zinc/99/82/73/603998273.db2.gz XLYWINBBGVZHPS-UHFFFAOYSA-N -1 0 360.392 -0.209 20 0 FBADRM O=C([O-])NC1(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000832171556 604429985 /nfs/dbraw/zinc/42/99/85/604429985.db2.gz BVBDMBPKMZVAPM-UHFFFAOYSA-N -1 0 360.370 -0.325 20 0 FBADRM COc1ccc(C(=O)NCCNS(=O)(=O)N(C)CCC(=O)[O-])cc1 ZINC000832174775 601255962 /nfs/dbraw/zinc/25/59/62/601255962.db2.gz PVAMZPPZKLZMSX-UHFFFAOYSA-N -1 0 359.404 -0.334 20 0 FBADRM O=C([O-])NC1(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000832186314 604760139 /nfs/dbraw/zinc/76/01/39/604760139.db2.gz ODEXBKITKZLKCP-UHFFFAOYSA-N -1 0 365.342 -0.093 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1(C(N)=O)CCOCC1 ZINC000832194906 604411236 /nfs/dbraw/zinc/41/12/36/604411236.db2.gz FVTGXBAFCWTDEN-UHFFFAOYSA-N -1 0 358.372 -0.294 20 0 FBADRM O=C([O-])NC1(CC(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCC1 ZINC000832198562 604179194 /nfs/dbraw/zinc/17/91/94/604179194.db2.gz BPJMNZQDVQXKAK-CYBMUJFWSA-N -1 0 368.434 -0.384 20 0 FBADRM O=C([O-])NC1(CC(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCC1 ZINC000832198563 604178827 /nfs/dbraw/zinc/17/88/27/604178827.db2.gz BPJMNZQDVQXKAK-ZDUSSCGKSA-N -1 0 368.434 -0.384 20 0 FBADRM O=C([O-])NC1(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCC1 ZINC000832198590 604067340 /nfs/dbraw/zinc/06/73/40/604067340.db2.gz CBSCLJWHPSDOFQ-UHFFFAOYSA-N -1 0 368.434 -0.430 20 0 FBADRM O=C([O-])NC1(CC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CCC1 ZINC000832198764 604103503 /nfs/dbraw/zinc/10/35/03/604103503.db2.gz FIKBWBCUZJUKTD-UHFFFAOYSA-N -1 0 366.418 -0.140 20 0 FBADRM O=C([O-])NC1(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CCC1 ZINC000832199051 604067288 /nfs/dbraw/zinc/06/72/88/604067288.db2.gz LJSNDFXWRYZHMJ-GFCCVEGCSA-N -1 0 359.448 -0.102 20 0 FBADRM O=C([O-])NC1(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CCC1 ZINC000832199052 604067212 /nfs/dbraw/zinc/06/72/12/604067212.db2.gz LJSNDFXWRYZHMJ-LBPRGKRZSA-N -1 0 359.448 -0.102 20 0 FBADRM O=C([O-])NC1(CC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCC1 ZINC000832199058 604075477 /nfs/dbraw/zinc/07/54/77/604075477.db2.gz LMVTUKCQVQVURX-UHFFFAOYSA-N -1 0 368.434 -0.430 20 0 FBADRM O=C([O-])NC1(CC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCC1 ZINC000832199074 604101657 /nfs/dbraw/zinc/10/16/57/604101657.db2.gz MATFRFCSLLKHGU-UHFFFAOYSA-N -1 0 352.391 -0.484 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCN1C(=O)CNC1=O ZINC000832199953 601244573 /nfs/dbraw/zinc/24/45/73/601244573.db2.gz JSQBGBWWQIAVRJ-UHFFFAOYSA-N -1 0 357.344 -0.777 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCN1C(=O)CNC1=O ZINC000832200087 601241018 /nfs/dbraw/zinc/24/10/18/601241018.db2.gz SPZUGTKDSRSIKV-UHFFFAOYSA-N -1 0 371.371 -0.386 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000832200177 601961515 /nfs/dbraw/zinc/96/15/15/601961515.db2.gz WQYGUDAUPOPXDF-GXSJLCMTSA-N -1 0 358.372 -0.295 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000832200180 601961230 /nfs/dbraw/zinc/96/12/30/601961230.db2.gz WQYGUDAUPOPXDF-KOLCDFICSA-N -1 0 358.372 -0.295 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000832200183 601961456 /nfs/dbraw/zinc/96/14/56/601961456.db2.gz WQYGUDAUPOPXDF-MWLCHTKSSA-N -1 0 358.372 -0.295 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000832200186 601961420 /nfs/dbraw/zinc/96/14/20/601961420.db2.gz WQYGUDAUPOPXDF-ONGXEEELSA-N -1 0 358.372 -0.295 20 0 FBADRM O=C([O-])NC1(CC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)CCC1 ZINC000832203416 604096027 /nfs/dbraw/zinc/09/60/27/604096027.db2.gz HJJUDUNBSMUOTP-JTQLQIEISA-N -1 0 361.420 -0.624 20 0 FBADRM O=C([O-])NC1(CC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC000832203417 604096238 /nfs/dbraw/zinc/09/62/38/604096238.db2.gz HJJUDUNBSMUOTP-SNVBAGLBSA-N -1 0 361.420 -0.624 20 0 FBADRM O=C([O-])NC1(CC(=O)NCCNS(=O)(=O)Cc2ccon2)CCC1 ZINC000832203554 603998437 /nfs/dbraw/zinc/99/84/37/603998437.db2.gz NIJLVTPUZYBLFZ-UHFFFAOYSA-N -1 0 360.392 -0.209 20 0 FBADRM COc1ccc(C(=O)OCC(=O)NCCC(=O)[O-])cc1N1CCNC1=O ZINC000832214079 601340688 /nfs/dbraw/zinc/34/06/88/601340688.db2.gz XZHDPTQAQMXKDG-UHFFFAOYSA-N -1 0 365.342 -0.028 20 0 FBADRM COc1ccc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])cc1N1CCNC1=O ZINC000832214135 601340569 /nfs/dbraw/zinc/34/05/69/601340569.db2.gz ZPEMDKGJQDLVKD-SECBINFHSA-N -1 0 365.342 -0.029 20 0 FBADRM COc1ccc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])cc1N1CCNC1=O ZINC000832214136 601340530 /nfs/dbraw/zinc/34/05/30/601340530.db2.gz ZPEMDKGJQDLVKD-VIFPVBQESA-N -1 0 365.342 -0.029 20 0 FBADRM CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)NCc2nnn[n-]2)C1 ZINC000832222268 661155070 /nfs/dbraw/zinc/15/50/70/661155070.db2.gz MXRMGLZIKQPAPY-AWEZNQCLSA-N -1 0 356.358 -0.209 20 0 FBADRM CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)NCc2nnn[n-]2)C1 ZINC000832222269 661154966 /nfs/dbraw/zinc/15/49/66/661154966.db2.gz MXRMGLZIKQPAPY-CQSZACIVSA-N -1 0 356.358 -0.209 20 0 FBADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 ZINC000832230770 605146367 /nfs/dbraw/zinc/14/63/67/605146367.db2.gz HYNUEMNZPGYLNP-YHWZYXNKSA-N -1 0 359.448 -0.104 20 0 FBADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@H](NC(C)=O)C(N)=O)cc1 ZINC000832230778 600875495 /nfs/dbraw/zinc/87/54/95/600875495.db2.gz GLTYHUIUFOWSIU-OLZOCXBDSA-N -1 0 351.359 -0.293 20 0 FBADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@H](NC(C)=O)C(N)=O)cc1 ZINC000832230779 600875464 /nfs/dbraw/zinc/87/54/64/600875464.db2.gz GLTYHUIUFOWSIU-STQMWFEESA-N -1 0 351.359 -0.293 20 0 FBADRM COc1ccc([C@@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-])cc1 ZINC000832252716 661154893 /nfs/dbraw/zinc/15/48/93/661154893.db2.gz RETBRGJGFJSLTH-LLVKDONJSA-N -1 0 351.402 -0.215 20 0 FBADRM COc1ccc([C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-])cc1 ZINC000832252718 661155467 /nfs/dbraw/zinc/15/54/67/661155467.db2.gz RETBRGJGFJSLTH-NSHDSACASA-N -1 0 351.402 -0.215 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000832252875 603628994 /nfs/dbraw/zinc/62/89/94/603628994.db2.gz CNEQLGJICBQEDD-BFHYXJOUSA-N -1 0 368.434 -0.528 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000832252881 603629132 /nfs/dbraw/zinc/62/91/32/603629132.db2.gz CNEQLGJICBQEDD-MCIONIFRSA-N -1 0 368.434 -0.528 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000832252883 603629202 /nfs/dbraw/zinc/62/92/02/603629202.db2.gz CNEQLGJICBQEDD-MGPQQGTHSA-N -1 0 368.434 -0.528 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000832252886 603629046 /nfs/dbraw/zinc/62/90/46/603629046.db2.gz CNEQLGJICBQEDD-MJBXVCDLSA-N -1 0 368.434 -0.528 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000832254921 603486527 /nfs/dbraw/zinc/48/65/27/603486527.db2.gz NVKUFZZYKDTFMY-CMPLNLGQSA-N -1 0 352.391 -0.628 20 0 FBADRM O=C([O-])N[C@H]1CC[C@H](C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000832254922 603486441 /nfs/dbraw/zinc/48/64/41/603486441.db2.gz NVKUFZZYKDTFMY-JQWIXIFHSA-N -1 0 352.391 -0.628 20 0 FBADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000832254923 603486481 /nfs/dbraw/zinc/48/64/81/603486481.db2.gz NVKUFZZYKDTFMY-PWSUYJOCSA-N -1 0 352.391 -0.628 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000832254924 603486514 /nfs/dbraw/zinc/48/65/14/603486514.db2.gz NVKUFZZYKDTFMY-ZYHUDNBSSA-N -1 0 352.391 -0.628 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000832255009 603939010 /nfs/dbraw/zinc/93/90/10/603939010.db2.gz OZBFWDMCGIFZMI-JHJVBQTASA-N -1 0 359.448 -0.246 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000832255010 603938888 /nfs/dbraw/zinc/93/88/88/603938888.db2.gz OZBFWDMCGIFZMI-UPJWGTAASA-N -1 0 359.448 -0.246 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000832255011 603939359 /nfs/dbraw/zinc/93/93/59/603939359.db2.gz OZBFWDMCGIFZMI-XQQFMLRXSA-N -1 0 359.448 -0.246 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000832255012 603938828 /nfs/dbraw/zinc/93/88/28/603938828.db2.gz OZBFWDMCGIFZMI-YNEHKIRRSA-N -1 0 359.448 -0.246 20 0 FBADRM O=C([O-])N[C@H]1CC[C@H](C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000832255258 603432895 /nfs/dbraw/zinc/43/28/95/603432895.db2.gz SGWJTDOBQLJBMO-KBPBESRZSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000832255259 603433018 /nfs/dbraw/zinc/43/30/18/603433018.db2.gz SGWJTDOBQLJBMO-KGLIPLIRSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000832255260 603432931 /nfs/dbraw/zinc/43/29/31/603432931.db2.gz SGWJTDOBQLJBMO-UONOGXRCSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000832255261 603432873 /nfs/dbraw/zinc/43/28/73/603432873.db2.gz SGWJTDOBQLJBMO-ZIAGYGMSSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000832255377 603491575 /nfs/dbraw/zinc/49/15/75/603491575.db2.gz ULWDYEGFBIYGPR-CHWSQXEVSA-N -1 0 366.418 -0.284 20 0 FBADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000832255380 603491505 /nfs/dbraw/zinc/49/15/05/603491505.db2.gz ULWDYEGFBIYGPR-OLZOCXBDSA-N -1 0 366.418 -0.284 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000832255382 603491560 /nfs/dbraw/zinc/49/15/60/603491560.db2.gz ULWDYEGFBIYGPR-QWHCGFSZSA-N -1 0 366.418 -0.284 20 0 FBADRM O=C([O-])N[C@H]1CC[C@H](C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000832255384 603491627 /nfs/dbraw/zinc/49/16/27/603491627.db2.gz ULWDYEGFBIYGPR-STQMWFEESA-N -1 0 366.418 -0.284 20 0 FBADRM O=C([O-])N[C@H]1CC[C@H](C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000832255682 603443794 /nfs/dbraw/zinc/44/37/94/603443794.db2.gz WBLRWGWRAPFAON-KBPBESRZSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000832255683 603443630 /nfs/dbraw/zinc/44/36/30/603443630.db2.gz WBLRWGWRAPFAON-KGLIPLIRSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000832255684 603443918 /nfs/dbraw/zinc/44/39/18/603443918.db2.gz WBLRWGWRAPFAON-UONOGXRCSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000832255685 603443904 /nfs/dbraw/zinc/44/39/04/603443904.db2.gz WBLRWGWRAPFAON-ZIAGYGMSSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000832262586 603477993 /nfs/dbraw/zinc/47/79/93/603477993.db2.gz LUOVYHILAIYGKL-AXFHLTTASA-N -1 0 361.420 -0.768 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000832262587 603478030 /nfs/dbraw/zinc/47/80/30/603478030.db2.gz LUOVYHILAIYGKL-GMTAPVOTSA-N -1 0 361.420 -0.768 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000832262588 603478071 /nfs/dbraw/zinc/47/80/71/603478071.db2.gz LUOVYHILAIYGKL-HBNTYKKESA-N -1 0 361.420 -0.768 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000832262589 603477893 /nfs/dbraw/zinc/47/78/93/603477893.db2.gz LUOVYHILAIYGKL-MXWKQRLJSA-N -1 0 361.420 -0.768 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000832270834 603998113 /nfs/dbraw/zinc/99/81/13/603998113.db2.gz TXMWWRFGMZIMTC-NXEZZACHSA-N -1 0 360.392 -0.354 20 0 FBADRM O=C([O-])N[C@H]1CC[C@H](C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000832270835 603998084 /nfs/dbraw/zinc/99/80/84/603998084.db2.gz TXMWWRFGMZIMTC-UWVGGRQHSA-N -1 0 360.392 -0.354 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000832270836 603998170 /nfs/dbraw/zinc/99/81/70/603998170.db2.gz TXMWWRFGMZIMTC-VHSXEESVSA-N -1 0 360.392 -0.354 20 0 FBADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000832270837 603998191 /nfs/dbraw/zinc/99/81/91/603998191.db2.gz TXMWWRFGMZIMTC-ZJUUUORDSA-N -1 0 360.392 -0.354 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000832271020 603581801 /nfs/dbraw/zinc/58/18/01/603581801.db2.gz VAYDVNBNXJSHIJ-GHMZBOCLSA-N -1 0 365.477 -0.083 20 0 FBADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000832271021 603581765 /nfs/dbraw/zinc/58/17/65/603581765.db2.gz VAYDVNBNXJSHIJ-MNOVXSKESA-N -1 0 365.477 -0.083 20 0 FBADRM O=C([O-])N[C@H]1CC[C@H](C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000832271022 603581609 /nfs/dbraw/zinc/58/16/09/603581609.db2.gz VAYDVNBNXJSHIJ-QWRGUYRKSA-N -1 0 365.477 -0.083 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000832271023 603581900 /nfs/dbraw/zinc/58/19/00/603581900.db2.gz VAYDVNBNXJSHIJ-WDEREUQCSA-N -1 0 365.477 -0.083 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000832271281 605533692 /nfs/dbraw/zinc/53/36/92/605533692.db2.gz XCSRKAOIDCQPLG-GHMZBOCLSA-N -1 0 356.404 -0.088 20 0 FBADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000832271282 605533824 /nfs/dbraw/zinc/53/38/24/605533824.db2.gz XCSRKAOIDCQPLG-MNOVXSKESA-N -1 0 356.404 -0.088 20 0 FBADRM O=C([O-])N[C@H]1CC[C@H](C(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000832271283 605533738 /nfs/dbraw/zinc/53/37/38/605533738.db2.gz XCSRKAOIDCQPLG-QWRGUYRKSA-N -1 0 356.404 -0.088 20 0 FBADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000832271284 605533677 /nfs/dbraw/zinc/53/36/77/605533677.db2.gz XCSRKAOIDCQPLG-WDEREUQCSA-N -1 0 356.404 -0.088 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000832343226 603998470 /nfs/dbraw/zinc/99/84/70/603998470.db2.gz ZOVHKUQUUVEEFU-GHMZBOCLSA-N -1 0 360.392 -0.354 20 0 FBADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000832343227 603998134 /nfs/dbraw/zinc/99/81/34/603998134.db2.gz ZOVHKUQUUVEEFU-MNOVXSKESA-N -1 0 360.392 -0.354 20 0 FBADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000832343228 603998198 /nfs/dbraw/zinc/99/81/98/603998198.db2.gz ZOVHKUQUUVEEFU-QWRGUYRKSA-N -1 0 360.392 -0.354 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000832343229 603998208 /nfs/dbraw/zinc/99/82/08/603998208.db2.gz ZOVHKUQUUVEEFU-WDEREUQCSA-N -1 0 360.392 -0.354 20 0 FBADRM COC(=O)C[C@@]1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCCOC1 ZINC000832352600 661155667 /nfs/dbraw/zinc/15/56/67/661155667.db2.gz LICFVKSMNFOQHZ-HNNXBMFYSA-N -1 0 372.399 -0.118 20 0 FBADRM COC(=O)C[C@]1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCCOC1 ZINC000832352603 661155638 /nfs/dbraw/zinc/15/56/38/661155638.db2.gz LICFVKSMNFOQHZ-OAHLLOKOSA-N -1 0 372.399 -0.118 20 0 FBADRM O=C([O-])N[C@@H]1CCCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000832357089 603894348 /nfs/dbraw/zinc/89/43/48/603894348.db2.gz FNJYQLXATVMVNI-BXKDBHETSA-N -1 0 354.388 -0.025 20 0 FBADRM O=C([O-])N[C@H]1CCCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000832357091 603894510 /nfs/dbraw/zinc/89/45/10/603894510.db2.gz FNJYQLXATVMVNI-CABZTGNLSA-N -1 0 354.388 -0.025 20 0 FBADRM O=C([O-])N[C@H]1CCCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000832357095 603894457 /nfs/dbraw/zinc/89/44/57/603894457.db2.gz FNJYQLXATVMVNI-JOYOIKCWSA-N -1 0 354.388 -0.025 20 0 FBADRM O=C([O-])N[C@@H]1CCCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000832357096 603894563 /nfs/dbraw/zinc/89/45/63/603894563.db2.gz FNJYQLXATVMVNI-SKDRFNHKSA-N -1 0 354.388 -0.025 20 0 FBADRM O=C([O-])N[C@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000832359239 604145155 /nfs/dbraw/zinc/14/51/55/604145155.db2.gz MWKNHXJATWKCED-JTQLQIEISA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000832359244 604145130 /nfs/dbraw/zinc/14/51/30/604145130.db2.gz MWKNHXJATWKCED-SNVBAGLBSA-N -1 0 359.346 -0.141 20 0 FBADRM Nc1ccccc1S(=O)(=O)NCC(=O)NCCc1n[n-]c(=S)o1 ZINC000832363714 661155700 /nfs/dbraw/zinc/15/57/00/661155700.db2.gz QROATXJNYMYDKI-UHFFFAOYSA-N -1 0 357.417 -0.422 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000832370785 604464774 /nfs/dbraw/zinc/46/47/74/604464774.db2.gz DEYXBSICVMDILV-GFCCVEGCSA-N -1 0 369.399 -0.136 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000832370786 605131920 /nfs/dbraw/zinc/13/19/20/605131920.db2.gz DEYXBSICVMDILV-LBPRGKRZSA-N -1 0 369.399 -0.136 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1 ZINC000832371076 605116508 /nfs/dbraw/zinc/11/65/08/605116508.db2.gz HNBMJSAAWOXEPM-CMPLNLGQSA-N -1 0 351.363 -0.131 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1 ZINC000832371077 605116557 /nfs/dbraw/zinc/11/65/57/605116557.db2.gz HNBMJSAAWOXEPM-JQWIXIFHSA-N -1 0 351.363 -0.131 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1 ZINC000832371078 604908570 /nfs/dbraw/zinc/90/85/70/604908570.db2.gz HNBMJSAAWOXEPM-PWSUYJOCSA-N -1 0 351.363 -0.131 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1 ZINC000832371079 604908358 /nfs/dbraw/zinc/90/83/58/604908358.db2.gz HNBMJSAAWOXEPM-ZYHUDNBSSA-N -1 0 351.363 -0.131 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000832371126 604609663 /nfs/dbraw/zinc/60/96/63/604609663.db2.gz IYEILDGVTPTIMY-LLVKDONJSA-N -1 0 360.436 -0.006 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000832371127 605111627 /nfs/dbraw/zinc/11/16/27/605111627.db2.gz IYEILDGVTPTIMY-NSHDSACASA-N -1 0 360.436 -0.006 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C1 ZINC000832371194 604572896 /nfs/dbraw/zinc/57/28/96/604572896.db2.gz KKPXSKOEOPOJAP-LLVKDONJSA-N -1 0 367.383 -0.177 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C1 ZINC000832371195 605116673 /nfs/dbraw/zinc/11/66/73/605116673.db2.gz KKPXSKOEOPOJAP-NSHDSACASA-N -1 0 367.383 -0.177 20 0 FBADRM O=C([O-])NC1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CC1 ZINC000832372282 604145029 /nfs/dbraw/zinc/14/50/29/604145029.db2.gz XYLCKTSAOANIFV-UHFFFAOYSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000832375772 604553638 /nfs/dbraw/zinc/55/36/38/604553638.db2.gz LNPOSBVONLUSLT-LLVKDONJSA-N -1 0 366.378 -0.384 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000832375773 605088192 /nfs/dbraw/zinc/08/81/92/605088192.db2.gz LNPOSBVONLUSLT-NSHDSACASA-N -1 0 366.378 -0.384 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000832376157 604609483 /nfs/dbraw/zinc/60/94/83/604609483.db2.gz RNNWMJDNKACPSB-SECBINFHSA-N -1 0 361.380 -0.855 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000832376158 605109414 /nfs/dbraw/zinc/10/94/14/605109414.db2.gz RNNWMJDNKACPSB-VIFPVBQESA-N -1 0 361.380 -0.855 20 0 FBADRM O=C([O-])NC1CCN(CC(=O)N2CCC(N3CCNC3=O)CC2)CC1 ZINC000832381130 605654822 /nfs/dbraw/zinc/65/48/22/605654822.db2.gz BGCVFGQYOOLIDT-UHFFFAOYSA-N -1 0 353.423 -0.265 20 0 FBADRM O=C([O-])NC1CCN(CC(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC000832381144 605584905 /nfs/dbraw/zinc/58/49/05/605584905.db2.gz BQMAOVANMNWVNJ-UHFFFAOYSA-N -1 0 367.450 -0.859 20 0 FBADRM O=C([O-])NC1CCN(CC(=O)NCC2(O)CCC3(CC2)OCCO3)CC1 ZINC000832382103 605761957 /nfs/dbraw/zinc/76/19/57/605761957.db2.gz QQVOOEKHYBPDKM-UHFFFAOYSA-N -1 0 371.434 -0.117 20 0 FBADRM O=C([O-])NC1CCN(CC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000832382150 661155690 /nfs/dbraw/zinc/15/56/90/661155690.db2.gz RWEOPYNEKOMFNH-JTQLQIEISA-N -1 0 366.340 -0.002 20 0 FBADRM O=C([O-])NC1CCN(CC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000832382151 661155649 /nfs/dbraw/zinc/15/56/49/661155649.db2.gz RWEOPYNEKOMFNH-SNVBAGLBSA-N -1 0 366.340 -0.002 20 0 FBADRM O=C([O-])NC1CCN(CC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000832382314 605766538 /nfs/dbraw/zinc/76/65/38/605766538.db2.gz UEZNMQRGRHCMEX-AWEZNQCLSA-N -1 0 368.434 -0.386 20 0 FBADRM O=C([O-])NC1CCN(CC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000832382315 605766742 /nfs/dbraw/zinc/76/67/42/605766742.db2.gz UEZNMQRGRHCMEX-CQSZACIVSA-N -1 0 368.434 -0.386 20 0 FBADRM CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)[N-]OC ZINC000832382870 661155673 /nfs/dbraw/zinc/15/56/73/661155673.db2.gz CCACSUCZWRPVOZ-UHFFFAOYSA-N -1 0 371.415 -0.114 20 0 FBADRM O=C([O-])NC1CCN(CC(=O)NCCNC(=O)c2ccc(O)cc2)CC1 ZINC000832386383 605154700 /nfs/dbraw/zinc/15/47/00/605154700.db2.gz BYBXIFGIPWRLEB-UHFFFAOYSA-N -1 0 364.402 -0.030 20 0 FBADRM O=C([O-])NC1CCN(CC(=O)NCCCN2CCCS2(=O)=O)CC1 ZINC000832386658 605689373 /nfs/dbraw/zinc/68/93/73/605689373.db2.gz JJVPYMCQXXSEIM-UHFFFAOYSA-N -1 0 362.452 -0.740 20 0 FBADRM O=C([O-])NC1CCN(CC(=O)NCCC(=O)NCc2cccnc2)CC1 ZINC000832386718 605673469 /nfs/dbraw/zinc/67/34/69/605673469.db2.gz JOINCPGUEGQJKO-UHFFFAOYSA-N -1 0 363.418 -0.064 20 0 FBADRM COc1ccc(NC(=O)C(=O)NCC(C)(C)C(=O)[O-])cc1OCC(N)=O ZINC000832388270 601767436 /nfs/dbraw/zinc/76/74/36/601767436.db2.gz FFOWKEWFSCJEGB-UHFFFAOYSA-N -1 0 367.358 -0.275 20 0 FBADRM COc1ccc(NC(=O)C(=O)NCC(C)(C)C(=O)[O-])cc1-n1cnnn1 ZINC000832388786 601766763 /nfs/dbraw/zinc/76/67/63/601766763.db2.gz LWOGRDAZRKYPSG-UHFFFAOYSA-N -1 0 362.346 -0.164 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1-n1cnnn1 ZINC000832389312 601343479 /nfs/dbraw/zinc/34/34/79/601343479.db2.gz RGBABCMQZJEAPS-JTQLQIEISA-N -1 0 374.357 -0.067 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1-n1cnnn1 ZINC000832389313 601343583 /nfs/dbraw/zinc/34/35/83/601343583.db2.gz RGBABCMQZJEAPS-SNVBAGLBSA-N -1 0 374.357 -0.067 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1-n1cnnn1 ZINC000832389343 602045285 /nfs/dbraw/zinc/04/52/85/602045285.db2.gz RTNSVPYERUSUSM-INIZCTEOSA-N -1 0 374.357 -0.067 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1-n1cnnn1 ZINC000832389344 602045337 /nfs/dbraw/zinc/04/53/37/602045337.db2.gz RTNSVPYERUSUSM-MRXNPFEDSA-N -1 0 374.357 -0.067 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)c(OC)n1 ZINC000832389395 601493494 /nfs/dbraw/zinc/49/34/94/601493494.db2.gz UJMWGGOBCUYKAB-SECBINFHSA-N -1 0 353.331 -0.261 20 0 FBADRM COc1ccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c(OC)n1 ZINC000832389396 601493527 /nfs/dbraw/zinc/49/35/27/601493527.db2.gz UJMWGGOBCUYKAB-VIFPVBQESA-N -1 0 353.331 -0.261 20 0 FBADRM COc1ccc(NC(=O)C(=O)NCCCCC(=O)[O-])cc1-n1cnnn1 ZINC000832389907 600882023 /nfs/dbraw/zinc/88/20/23/600882023.db2.gz ZARBDULZFOSKKO-UHFFFAOYSA-N -1 0 362.346 -0.020 20 0 FBADRM O=C([O-])NCC(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 ZINC000832392320 603464033 /nfs/dbraw/zinc/46/40/33/603464033.db2.gz QBOHYGJEQHWPJK-UHFFFAOYSA-N -1 0 356.423 -0.669 20 0 FBADRM COc1ccc(NC(=O)CN2CCN(S(C)(=O)=O)CC2)c(C(=O)[O-])c1 ZINC000832394624 602327254 /nfs/dbraw/zinc/32/72/54/602327254.db2.gz UKJSWQQLDUSREZ-UHFFFAOYSA-N -1 0 371.415 -0.091 20 0 FBADRM COc1ccc(NC(=O)Cn2cc(C(=O)[O-])nn2)cc1NS(C)(=O)=O ZINC000832397988 601274977 /nfs/dbraw/zinc/27/49/77/601274977.db2.gz DHMXGLLEGRADOX-UHFFFAOYSA-N -1 0 369.359 -0.005 20 0 FBADRM COc1ccc(NC(=O)Cn2cc(C(=O)[O-])nn2)cc1-n1nnnc1C ZINC000832398854 601199304 /nfs/dbraw/zinc/19/93/04/601199304.db2.gz SMNQYDOKAYCVQZ-UHFFFAOYSA-N -1 0 358.318 -0.092 20 0 FBADRM COC(CN(CCCO)C(=O)c1cc(S(N)(=O)=O)ccc1[O-])OC ZINC000832400748 661155920 /nfs/dbraw/zinc/15/59/20/661155920.db2.gz PHIXBAOUDHJVQK-UHFFFAOYSA-N -1 0 362.404 -0.517 20 0 FBADRM O=C([O-])NC[C@H](C(=O)NCCN1CCS(=O)(=O)CC1)c1ccccc1 ZINC000832407138 603407253 /nfs/dbraw/zinc/40/72/53/603407253.db2.gz GNRHIHOTVIBWNL-AWEZNQCLSA-N -1 0 369.443 -0.116 20 0 FBADRM O=C([O-])NC[C@@H](C(=O)NCCN1CCS(=O)(=O)CC1)c1ccccc1 ZINC000832407139 603407465 /nfs/dbraw/zinc/40/74/65/603407465.db2.gz GNRHIHOTVIBWNL-CQSZACIVSA-N -1 0 369.443 -0.116 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)C1CC1 ZINC000832421125 603960031 /nfs/dbraw/zinc/96/00/31/603960031.db2.gz JCFPNOUDOXXBJL-CMPLNLGQSA-N -1 0 354.388 -0.121 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)C1CC1 ZINC000832421127 603960215 /nfs/dbraw/zinc/96/02/15/603960215.db2.gz JCFPNOUDOXXBJL-JQWIXIFHSA-N -1 0 354.388 -0.121 20 0 FBADRM O=C([O-])NC[C@@H](NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)C1CC1 ZINC000832421129 603960204 /nfs/dbraw/zinc/96/02/04/603960204.db2.gz JCFPNOUDOXXBJL-PWSUYJOCSA-N -1 0 354.388 -0.121 20 0 FBADRM O=C([O-])NC[C@@H](NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)C1CC1 ZINC000832421131 603960135 /nfs/dbraw/zinc/96/01/35/603960135.db2.gz JCFPNOUDOXXBJL-ZYHUDNBSSA-N -1 0 354.388 -0.121 20 0 FBADRM O=C([O-])NC[C@@H](NC(=O)C(=O)Nc1cnn(-c2ncccn2)c1)C1CC1 ZINC000832422721 604148003 /nfs/dbraw/zinc/14/80/03/604148003.db2.gz YNEGPMRGUNIIHX-LLVKDONJSA-N -1 0 359.346 -0.237 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)C(=O)Nc1cnn(-c2ncccn2)c1)C1CC1 ZINC000832422722 604148026 /nfs/dbraw/zinc/14/80/26/604148026.db2.gz YNEGPMRGUNIIHX-NSHDSACASA-N -1 0 359.346 -0.237 20 0 FBADRM O=C([O-])NC[C@@H](NC(=O)NCCNS(=O)(=O)c1cccnc1)C1CC1 ZINC000832429000 605528473 /nfs/dbraw/zinc/52/84/73/605528473.db2.gz ZBASHJKLNCLPLB-GFCCVEGCSA-N -1 0 371.419 -0.295 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)NCCNS(=O)(=O)c1cccnc1)C1CC1 ZINC000832429001 605529176 /nfs/dbraw/zinc/52/91/76/605529176.db2.gz ZBASHJKLNCLPLB-LBPRGKRZSA-N -1 0 371.419 -0.295 20 0 FBADRM COc1ccc(OC)c([C@H](O)CNC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000832431396 601386771 /nfs/dbraw/zinc/38/67/71/601386771.db2.gz OXYUWBVIVDOHQK-GFCCVEGCSA-N -1 0 350.331 -0.157 20 0 FBADRM COc1ccc(OC)c([C@@H](O)CNC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000832431399 601386895 /nfs/dbraw/zinc/38/68/95/601386895.db2.gz OXYUWBVIVDOHQK-LBPRGKRZSA-N -1 0 350.331 -0.157 20 0 FBADRM O=C([O-])NCC1(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCCC1 ZINC000832433124 603635076 /nfs/dbraw/zinc/63/50/76/603635076.db2.gz HPWDJAMGWUEFTM-UHFFFAOYSA-N -1 0 366.418 -0.236 20 0 FBADRM O=C([O-])NCC1(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CCCC1 ZINC000832433961 603657445 /nfs/dbraw/zinc/65/74/45/603657445.db2.gz ZRKBDQJLMGZHIL-UHFFFAOYSA-N -1 0 365.394 -0.828 20 0 FBADRM O=C([O-])NCC1(C(=O)NCCS(=O)(=O)N2CCOCC2)CCCC1 ZINC000832438071 603649296 /nfs/dbraw/zinc/64/92/96/603649296.db2.gz CFBHOZQWZRNJNM-UHFFFAOYSA-N -1 0 363.436 -0.407 20 0 FBADRM O=C([O-])NCC1(C(=O)NCC(=O)NCCN2CCOCC2)CCCC1 ZINC000832438319 603670820 /nfs/dbraw/zinc/67/08/20/603670820.db2.gz MLRVBDVWDWGEOK-UHFFFAOYSA-N -1 0 356.423 -0.621 20 0 FBADRM COc1ccc(OS(=O)(=O)c2cnn(CC(=O)[O-])c2)c(C(N)=O)c1 ZINC000832449483 600731162 /nfs/dbraw/zinc/73/11/62/600731162.db2.gz VTBGAJGHZUFKTQ-UHFFFAOYSA-N -1 0 355.328 -0.157 20 0 FBADRM COc1ccc(S(=O)(=O)NC2(C(N)=O)CCOCC2)cc1C(=O)[O-] ZINC000832462295 604411394 /nfs/dbraw/zinc/41/13/94/604411394.db2.gz AJMJJIAJFCXKCL-UHFFFAOYSA-N -1 0 358.372 -0.294 20 0 FBADRM COc1ccc(S(=O)(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cc1C(=O)[O-] ZINC000832462878 601961415 /nfs/dbraw/zinc/96/14/15/601961415.db2.gz WTWAJZZCWMWPAH-PELKAZGASA-N -1 0 358.372 -0.295 20 0 FBADRM COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1C(=O)[O-] ZINC000832462879 601961429 /nfs/dbraw/zinc/96/14/29/601961429.db2.gz WTWAJZZCWMWPAH-PRHODGIISA-N -1 0 358.372 -0.295 20 0 FBADRM COc1ccc(S(=O)(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1C(=O)[O-] ZINC000832462880 601961461 /nfs/dbraw/zinc/96/14/61/601961461.db2.gz WTWAJZZCWMWPAH-QPUJVOFHSA-N -1 0 358.372 -0.295 20 0 FBADRM COc1ccc(S(=O)(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1C(=O)[O-] ZINC000832462881 601961090 /nfs/dbraw/zinc/96/10/90/601961090.db2.gz WTWAJZZCWMWPAH-UFBFGSQYSA-N -1 0 358.372 -0.295 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000832468404 601721527 /nfs/dbraw/zinc/72/15/27/601721527.db2.gz BHTIFCLKXCDLFY-GWCFXTLKSA-N -1 0 372.399 -0.326 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000832468408 601721501 /nfs/dbraw/zinc/72/15/01/601721501.db2.gz BHTIFCLKXCDLFY-GXFFZTMASA-N -1 0 372.399 -0.326 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000832468528 601766635 /nfs/dbraw/zinc/76/66/35/601766635.db2.gz HIEKCNWDSFFYCI-BONVTDFDSA-N -1 0 372.399 -0.278 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000832468529 601766706 /nfs/dbraw/zinc/76/67/06/601766706.db2.gz HIEKCNWDSFFYCI-ZUZCIYMTSA-N -1 0 372.399 -0.278 20 0 FBADRM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000832469506 604184821 /nfs/dbraw/zinc/18/48/21/604184821.db2.gz XLCCXZAVWRDTBH-GHMZBOCLSA-N -1 0 363.436 -0.338 20 0 FBADRM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000832469515 604184732 /nfs/dbraw/zinc/18/47/32/604184732.db2.gz XLCCXZAVWRDTBH-MNOVXSKESA-N -1 0 363.436 -0.338 20 0 FBADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000832469519 604185071 /nfs/dbraw/zinc/18/50/71/604185071.db2.gz XLCCXZAVWRDTBH-QWRGUYRKSA-N -1 0 363.436 -0.338 20 0 FBADRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000832469522 604184747 /nfs/dbraw/zinc/18/47/47/604184747.db2.gz XLCCXZAVWRDTBH-WDEREUQCSA-N -1 0 363.436 -0.338 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000832476013 601980218 /nfs/dbraw/zinc/98/02/18/601980218.db2.gz CFFNJFQRJFQMID-BDAKNGLRSA-N -1 0 372.355 -0.455 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000832476014 601980334 /nfs/dbraw/zinc/98/03/34/601980334.db2.gz CFFNJFQRJFQMID-DTWKUNHWSA-N -1 0 372.355 -0.455 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000832476015 601980260 /nfs/dbraw/zinc/98/02/60/601980260.db2.gz CFFNJFQRJFQMID-IUCAKERBSA-N -1 0 372.355 -0.455 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000832476016 601980063 /nfs/dbraw/zinc/98/00/63/601980063.db2.gz CFFNJFQRJFQMID-RKDXNWHRSA-N -1 0 372.355 -0.455 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)CN(CC(=O)[O-])C1CC1 ZINC000832476166 601869815 /nfs/dbraw/zinc/86/98/15/601869815.db2.gz GLQWGRRQIVJFCZ-UHFFFAOYSA-N -1 0 357.388 -0.170 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCOC[C@@H]1C(=O)[O-] ZINC000832476507 601868462 /nfs/dbraw/zinc/86/84/62/601868462.db2.gz NYXLSUTXNMHWHP-LLVKDONJSA-N -1 0 373.387 -0.934 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCOC[C@H]1C(=O)[O-] ZINC000832476508 601868644 /nfs/dbraw/zinc/86/86/44/601868644.db2.gz NYXLSUTXNMHWHP-NSHDSACASA-N -1 0 373.387 -0.934 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)[C@H](C)CC(=O)[O-] ZINC000832476553 601980118 /nfs/dbraw/zinc/98/01/18/601980118.db2.gz QXJDXNCECOWQCE-MRVPVSSYSA-N -1 0 374.371 -0.065 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)[C@@H](C)CC(=O)[O-] ZINC000832476554 601980277 /nfs/dbraw/zinc/98/02/77/601980277.db2.gz QXJDXNCECOWQCE-QMMMGPOBSA-N -1 0 374.371 -0.065 20 0 FBADRM O=C([O-])NC[C@@H]1CCC[C@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000832481306 603130577 /nfs/dbraw/zinc/13/05/77/603130577.db2.gz HZTIPJKYROIBEU-GXSJLCMTSA-N -1 0 354.450 -0.081 20 0 FBADRM O=C([O-])NC[C@H]1CCC[C@@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000832481308 603130665 /nfs/dbraw/zinc/13/06/65/603130665.db2.gz HZTIPJKYROIBEU-KOLCDFICSA-N -1 0 354.450 -0.081 20 0 FBADRM O=C([O-])NC[C@H]1CCC[C@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000832481310 603130812 /nfs/dbraw/zinc/13/08/12/603130812.db2.gz HZTIPJKYROIBEU-MWLCHTKSSA-N -1 0 354.450 -0.081 20 0 FBADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000832481311 603130587 /nfs/dbraw/zinc/13/05/87/603130587.db2.gz HZTIPJKYROIBEU-ONGXEEELSA-N -1 0 354.450 -0.081 20 0 FBADRM COc1ccc2c(c1)[C@]1(CC2)NC(=O)N(CC(=O)NCCC(=O)[O-])C1=O ZINC000832487320 604806667 /nfs/dbraw/zinc/80/66/67/604806667.db2.gz XWFQDMDAXZSUTR-KRWDZBQOSA-N -1 0 361.354 -0.021 20 0 FBADRM COc1ccc2c(c1)[C@@]1(CC2)NC(=O)N(CC(=O)NCCC(=O)[O-])C1=O ZINC000832487321 604806371 /nfs/dbraw/zinc/80/63/71/604806371.db2.gz XWFQDMDAXZSUTR-QGZVFWFLSA-N -1 0 361.354 -0.021 20 0 FBADRM O=C([O-])NC[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCOCC1)C2=O ZINC000832497723 603757481 /nfs/dbraw/zinc/75/74/81/603757481.db2.gz FJQCWNXFNYLDDK-BDJLRTHQSA-N -1 0 368.390 -0.406 20 0 FBADRM O=C([O-])NC[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCOCC1)C2=O ZINC000832497724 603757557 /nfs/dbraw/zinc/75/75/57/603757557.db2.gz FJQCWNXFNYLDDK-BZNIZROVSA-N -1 0 368.390 -0.406 20 0 FBADRM O=C([O-])NC[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCOCC1)C2=O ZINC000832497725 603757246 /nfs/dbraw/zinc/75/72/46/603757246.db2.gz FJQCWNXFNYLDDK-MEDUHNTESA-N -1 0 368.390 -0.406 20 0 FBADRM O=C([O-])NC[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCOCC1)C2=O ZINC000832497727 603757522 /nfs/dbraw/zinc/75/75/22/603757522.db2.gz FJQCWNXFNYLDDK-ZBEGNZNMSA-N -1 0 368.390 -0.406 20 0 FBADRM O=C([O-])NC[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCNC1=O)C2=O ZINC000832498616 603677606 /nfs/dbraw/zinc/67/76/06/603677606.db2.gz JNDDOFLZSWWRRA-BJOHPYRUSA-N -1 0 367.362 -0.713 20 0 FBADRM O=C([O-])NC[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCNC1=O)C2=O ZINC000832498617 603677645 /nfs/dbraw/zinc/67/76/45/603677645.db2.gz JNDDOFLZSWWRRA-PSLIRLAXSA-N -1 0 367.362 -0.713 20 0 FBADRM O=C([O-])NC[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCNC1=O)C2=O ZINC000832498618 603677682 /nfs/dbraw/zinc/67/76/82/603677682.db2.gz JNDDOFLZSWWRRA-RFAUZJTJSA-N -1 0 367.362 -0.713 20 0 FBADRM O=C([O-])NC[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCNC1=O)C2=O ZINC000832498619 603677894 /nfs/dbraw/zinc/67/78/94/603677894.db2.gz JNDDOFLZSWWRRA-VFZGTOFNSA-N -1 0 367.362 -0.713 20 0 FBADRM O=C([O-])NC[C@H]1CCCC[C@@]12NC(=O)N(CN1CCNC(=O)CC1)C2=O ZINC000832499056 603600608 /nfs/dbraw/zinc/60/06/08/603600608.db2.gz NHSRPFVMLJBCPO-BDJLRTHQSA-N -1 0 367.406 -0.486 20 0 FBADRM O=C([O-])NC[C@H]1CCCC[C@]12NC(=O)N(CN1CCNC(=O)CC1)C2=O ZINC000832499057 603600804 /nfs/dbraw/zinc/60/08/04/603600804.db2.gz NHSRPFVMLJBCPO-BZNIZROVSA-N -1 0 367.406 -0.486 20 0 FBADRM O=C([O-])NC[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCNC(=O)CC1)C2=O ZINC000832499058 603600690 /nfs/dbraw/zinc/60/06/90/603600690.db2.gz NHSRPFVMLJBCPO-MEDUHNTESA-N -1 0 367.406 -0.486 20 0 FBADRM O=C([O-])NC[C@@H]1CCCC[C@]12NC(=O)N(CN1CCNC(=O)CC1)C2=O ZINC000832499059 603600856 /nfs/dbraw/zinc/60/08/56/603600856.db2.gz NHSRPFVMLJBCPO-ZBEGNZNMSA-N -1 0 367.406 -0.486 20 0 FBADRM O=C([O-])NC[C@H]1CCCC[C@]12NC(=O)N(CN1CCNC(=O)C1)C2=O ZINC000832499504 603592186 /nfs/dbraw/zinc/59/21/86/603592186.db2.gz QYXKNSSGCCFETI-BMIGLBTASA-N -1 0 353.379 -0.876 20 0 FBADRM O=C([O-])NC[C@@H]1CCCC[C@]12NC(=O)N(CN1CCNC(=O)C1)C2=O ZINC000832499505 603592652 /nfs/dbraw/zinc/59/26/52/603592652.db2.gz QYXKNSSGCCFETI-BONVTDFDSA-N -1 0 353.379 -0.876 20 0 FBADRM O=C([O-])NC[C@H]1CCCC[C@@]12NC(=O)N(CN1CCNC(=O)C1)C2=O ZINC000832499506 603592279 /nfs/dbraw/zinc/59/22/79/603592279.db2.gz QYXKNSSGCCFETI-MEBBXXQBSA-N -1 0 353.379 -0.876 20 0 FBADRM O=C([O-])NC[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCNC(=O)C1)C2=O ZINC000832499507 603592215 /nfs/dbraw/zinc/59/22/15/603592215.db2.gz QYXKNSSGCCFETI-ZUZCIYMTSA-N -1 0 353.379 -0.876 20 0 FBADRM COc1cccc(C(=O)NCCNS(=O)(=O)N(C)CCC(=O)[O-])c1 ZINC000832518573 601254103 /nfs/dbraw/zinc/25/41/03/601254103.db2.gz LBQZXLWAHIWTJW-UHFFFAOYSA-N -1 0 359.404 -0.334 20 0 FBADRM O=C([O-])NC[C@H]1CCCN1C(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000832533178 604197224 /nfs/dbraw/zinc/19/72/24/604197224.db2.gz HODGHGPRHJRYPM-GFCCVEGCSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000832533179 604197096 /nfs/dbraw/zinc/19/70/96/604197096.db2.gz HODGHGPRHJRYPM-LBPRGKRZSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])NC[C@H]1CCCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000832537693 603112040 /nfs/dbraw/zinc/11/20/40/603112040.db2.gz CQYYGUTVXWZCDF-LLVKDONJSA-N -1 0 354.388 -0.257 20 0 FBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000832537694 603112213 /nfs/dbraw/zinc/11/22/13/603112213.db2.gz CQYYGUTVXWZCDF-NSHDSACASA-N -1 0 354.388 -0.257 20 0 FBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000832537848 603130689 /nfs/dbraw/zinc/13/06/89/603130689.db2.gz DGVWMPJZNPFOMZ-KBPBESRZSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000832537850 603130450 /nfs/dbraw/zinc/13/04/50/603130450.db2.gz DGVWMPJZNPFOMZ-KGLIPLIRSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])NC[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000832537852 603130459 /nfs/dbraw/zinc/13/04/59/603130459.db2.gz DGVWMPJZNPFOMZ-UONOGXRCSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])NC[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000832537854 603130524 /nfs/dbraw/zinc/13/05/24/603130524.db2.gz DGVWMPJZNPFOMZ-ZIAGYGMSSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000832537891 603111871 /nfs/dbraw/zinc/11/18/71/603111871.db2.gz DXKRPFNJLYJKSP-GRYCIOLGSA-N -1 0 373.431 -0.719 20 0 FBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000832537896 603111932 /nfs/dbraw/zinc/11/19/32/603111932.db2.gz DXKRPFNJLYJKSP-SDDRHHMPSA-N -1 0 373.431 -0.719 20 0 FBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000832537897 603112251 /nfs/dbraw/zinc/11/22/51/603112251.db2.gz DXKRPFNJLYJKSP-SRVKXCTJSA-N -1 0 373.431 -0.719 20 0 FBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000832537899 603112089 /nfs/dbraw/zinc/11/20/89/603112089.db2.gz DXKRPFNJLYJKSP-WOPDTQHZSA-N -1 0 373.431 -0.719 20 0 FBADRM O=C([O-])NC[C@H]1CCCN1C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000832538472 603107504 /nfs/dbraw/zinc/10/75/04/603107504.db2.gz IZQRJLZKTJQSIB-GFCCVEGCSA-N -1 0 374.405 -0.006 20 0 FBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000832538473 603107570 /nfs/dbraw/zinc/10/75/70/603107570.db2.gz IZQRJLZKTJQSIB-LBPRGKRZSA-N -1 0 374.405 -0.006 20 0 FBADRM O=C([O-])NC[C@H]1CCCN1C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000832540036 603989922 /nfs/dbraw/zinc/98/99/22/603989922.db2.gz QMXPNMDVBXGKKV-BXKDBHETSA-N -1 0 354.388 -0.025 20 0 FBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000832540037 603990109 /nfs/dbraw/zinc/99/01/09/603990109.db2.gz QMXPNMDVBXGKKV-CABZTGNLSA-N -1 0 354.388 -0.025 20 0 FBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000832540038 603989959 /nfs/dbraw/zinc/98/99/59/603989959.db2.gz QMXPNMDVBXGKKV-JOYOIKCWSA-N -1 0 354.388 -0.025 20 0 FBADRM O=C([O-])NC[C@H]1CCCN1C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000832540039 603990198 /nfs/dbraw/zinc/99/01/98/603990198.db2.gz QMXPNMDVBXGKKV-SKDRFNHKSA-N -1 0 354.388 -0.025 20 0 FBADRM O=C([O-])NC[C@H]1CCCN1C(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000832540732 604148874 /nfs/dbraw/zinc/14/88/74/604148874.db2.gz UYCIUXYZNDIKJU-LLVKDONJSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000832540733 604148823 /nfs/dbraw/zinc/14/88/23/604148823.db2.gz UYCIUXYZNDIKJU-NSHDSACASA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])NC[C@H]1CCCN1C(=O)COCC(=O)NCc1cccnc1 ZINC000832546610 603127352 /nfs/dbraw/zinc/12/73/52/603127352.db2.gz RNUQQLYINPCMGU-CYBMUJFWSA-N -1 0 350.375 -0.027 20 0 FBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)COCC(=O)NCc1cccnc1 ZINC000832546611 603127238 /nfs/dbraw/zinc/12/72/38/603127238.db2.gz RNUQQLYINPCMGU-ZDUSSCGKSA-N -1 0 350.375 -0.027 20 0 FBADRM O=C([O-])NC[C@H]1CCCN1C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000832550446 603736850 /nfs/dbraw/zinc/73/68/50/603736850.db2.gz BKKGHTRKNQCFFH-LLVKDONJSA-N -1 0 364.424 -0.910 20 0 FBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000832550447 603736964 /nfs/dbraw/zinc/73/69/64/603736964.db2.gz BKKGHTRKNQCFFH-NSHDSACASA-N -1 0 364.424 -0.910 20 0 FBADRM COc1cccc(N2C[C@@H](NC(=O)Cn3cc(C(=O)[O-])nn3)CC2=O)c1 ZINC000832563202 601280687 /nfs/dbraw/zinc/28/06/87/601280687.db2.gz WFTHRMKWBHURKX-JTQLQIEISA-N -1 0 359.342 -0.093 20 0 FBADRM COc1cccc(N2C[C@H](NC(=O)Cn3cc(C(=O)[O-])nn3)CC2=O)c1 ZINC000832563226 601280692 /nfs/dbraw/zinc/28/06/92/601280692.db2.gz WFTHRMKWBHURKX-SNVBAGLBSA-N -1 0 359.342 -0.093 20 0 FBADRM COc1cccc(OCCN2CCN(CC(=O)NCC(=O)[O-])CC2)c1 ZINC000832573657 604374190 /nfs/dbraw/zinc/37/41/90/604374190.db2.gz ZIKYRXDTQOJYNG-UHFFFAOYSA-N -1 0 351.403 -0.108 20 0 FBADRM O=C([O-])NC[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000832577468 604145186 /nfs/dbraw/zinc/14/51/86/604145186.db2.gz ILFNXBNAFXCZSJ-JTQLQIEISA-N -1 0 359.346 -0.283 20 0 FBADRM O=C([O-])NC[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000832577470 604144944 /nfs/dbraw/zinc/14/49/44/604144944.db2.gz ILFNXBNAFXCZSJ-SNVBAGLBSA-N -1 0 359.346 -0.283 20 0 FBADRM O=C([O-])NC[C@H]1CCCN1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000832578870 603148066 /nfs/dbraw/zinc/14/80/66/603148066.db2.gz QNCOLCYPBVBHHU-MRVPVSSYSA-N -1 0 368.371 -0.363 20 0 FBADRM O=C([O-])NC[C@@H]1CCCN1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000832578871 603148001 /nfs/dbraw/zinc/14/80/01/603148001.db2.gz QNCOLCYPBVBHHU-QMMMGPOBSA-N -1 0 368.371 -0.363 20 0 FBADRM COc1ccccc1C(=O)N1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000832583065 601275244 /nfs/dbraw/zinc/27/52/44/601275244.db2.gz MIKLYCDCWAKJQW-UHFFFAOYSA-N -1 0 373.369 -0.031 20 0 FBADRM O=C([O-])NC[C@H]1CCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000832584835 603909825 /nfs/dbraw/zinc/90/98/25/603909825.db2.gz XWHBTVWOWPFRLH-BXKDBHETSA-N -1 0 354.388 -0.167 20 0 FBADRM O=C([O-])NC[C@@H]1CCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000832584837 603909548 /nfs/dbraw/zinc/90/95/48/603909548.db2.gz XWHBTVWOWPFRLH-CABZTGNLSA-N -1 0 354.388 -0.167 20 0 FBADRM O=C([O-])NC[C@@H]1CCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000832584839 603909570 /nfs/dbraw/zinc/90/95/70/603909570.db2.gz XWHBTVWOWPFRLH-JOYOIKCWSA-N -1 0 354.388 -0.167 20 0 FBADRM O=C([O-])NC[C@H]1CCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000832584841 603909605 /nfs/dbraw/zinc/90/96/05/603909605.db2.gz XWHBTVWOWPFRLH-SKDRFNHKSA-N -1 0 354.388 -0.167 20 0 FBADRM O=C([O-])NCCC(=O)OCC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000832605502 604644897 /nfs/dbraw/zinc/64/48/97/604644897.db2.gz ZFXLTGZLXNTFNN-UHFFFAOYSA-N -1 0 352.282 -0.059 20 0 FBADRM O=C([O-])NCCCC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000832608576 603073404 /nfs/dbraw/zinc/07/34/04/603073404.db2.gz JHBBNZAINAFEFP-UHFFFAOYSA-N -1 0 360.392 -0.304 20 0 FBADRM O=C([O-])NCCCNC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000832612486 604563642 /nfs/dbraw/zinc/56/36/42/604563642.db2.gz GUGCEGVIXOBIFV-UHFFFAOYSA-N -1 0 355.372 -0.271 20 0 FBADRM O=C([O-])NCCCNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000832613272 604834173 /nfs/dbraw/zinc/83/41/73/604834173.db2.gz KKUAAQWBFNSOOH-UHFFFAOYSA-N -1 0 364.406 -0.321 20 0 FBADRM O=C([O-])NCCCNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000832613483 604357337 /nfs/dbraw/zinc/35/73/37/604357337.db2.gz NVLOERBKPGQZBX-UHFFFAOYSA-N -1 0 357.388 -0.231 20 0 FBADRM O=C([O-])NCCCNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000832616511 603563993 /nfs/dbraw/zinc/56/39/93/603563993.db2.gz GEEZAEVNOHFCGS-UHFFFAOYSA-N -1 0 354.367 -0.479 20 0 FBADRM O=C([O-])NCCCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000832621341 604328807 /nfs/dbraw/zinc/32/88/07/604328807.db2.gz NWKMQISSTMENOS-UHFFFAOYSA-N -1 0 365.433 -0.458 20 0 FBADRM O=C([O-])NCCCOC1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000832624838 604078329 /nfs/dbraw/zinc/07/83/29/604078329.db2.gz GKUFYJBQTJZOKM-UHFFFAOYSA-N -1 0 354.363 -0.386 20 0 FBADRM O=C([O-])NCCCOC1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC000832625128 661157193 /nfs/dbraw/zinc/15/71/93/661157193.db2.gz IWXOSIAMIVMLFU-UHFFFAOYSA-N -1 0 356.379 -0.406 20 0 FBADRM O=C([O-])NCCCOC1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 ZINC000832625395 604078063 /nfs/dbraw/zinc/07/80/63/604078063.db2.gz NTIMOYYOHUVQKH-UHFFFAOYSA-N -1 0 368.390 -0.408 20 0 FBADRM O=C([O-])NCCCOC1CCN(C(=O)CN2CCCS2(=O)=O)CC1 ZINC000832625487 604070298 /nfs/dbraw/zinc/07/02/98/604070298.db2.gz PGZWHQPSPNWXME-UHFFFAOYSA-N -1 0 363.436 -0.313 20 0 FBADRM O=C([O-])NCCCOC1CCN(C(=O)NCCN2C(=O)CCC2=O)CC1 ZINC000832625626 604140887 /nfs/dbraw/zinc/14/08/87/604140887.db2.gz RFKVTFNGCPNBIF-UHFFFAOYSA-N -1 0 370.406 -0.016 20 0 FBADRM O=C([O-])NCCCOC1CCN(C(=O)NCCN2C(=O)CNC2=O)CC1 ZINC000832625645 604139223 /nfs/dbraw/zinc/13/92/23/604139223.db2.gz SAFQEQMTGCDFQO-UHFFFAOYSA-N -1 0 371.394 -0.614 20 0 FBADRM O=C([O-])NCCCOC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000832633584 604168829 /nfs/dbraw/zinc/16/88/29/604168829.db2.gz UKUVCIIDWLNTBQ-UHFFFAOYSA-N -1 0 351.425 -0.298 20 0 FBADRM O=C([O-])NCCNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000832641748 604049888 /nfs/dbraw/zinc/04/98/88/604049888.db2.gz IHSFTNJYXVAPDM-UHFFFAOYSA-N -1 0 363.330 -0.939 20 0 FBADRM O=C([O-])NCCNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000832641862 605494658 /nfs/dbraw/zinc/49/46/58/605494658.db2.gz MNVCHSWGKLNQLR-UHFFFAOYSA-N -1 0 366.378 -0.736 20 0 FBADRM O=C([O-])NCCNC(=O)C(=O)Nc1cccn(CC(F)(F)F)c1=O ZINC000832641913 603775210 /nfs/dbraw/zinc/77/52/10/603775210.db2.gz NTKSCFHNGQAEFJ-UHFFFAOYSA-N -1 0 350.253 -0.267 20 0 FBADRM O=C([O-])NCCN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000832641967 605416670 /nfs/dbraw/zinc/41/66/70/605416670.db2.gz QBPOWPFFDUHKLO-UHFFFAOYSA-N -1 0 369.403 -0.158 20 0 FBADRM O=C([O-])NCCNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000832642172 604050101 /nfs/dbraw/zinc/05/01/01/604050101.db2.gz ULTWAYMKKNCAQI-UHFFFAOYSA-N -1 0 363.330 -0.939 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)c2ccc3nnnn3c2)C1 ZINC000832647297 603972633 /nfs/dbraw/zinc/97/26/33/603972633.db2.gz AEEPNDDQNXGJNK-JTQLQIEISA-N -1 0 361.362 -0.640 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3nnnn3c2)C1 ZINC000832647298 603972470 /nfs/dbraw/zinc/97/24/70/603972470.db2.gz AEEPNDDQNXGJNK-SNVBAGLBSA-N -1 0 361.362 -0.640 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(CN2C[C@@]3(CCOC3)CC2=O)C1 ZINC000832647694 603607447 /nfs/dbraw/zinc/60/74/47/603607447.db2.gz LSAOFOLBRDKNHS-CXAGYDPISA-N -1 0 368.434 -0.321 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(CN2C[C@]3(CCOC3)CC2=O)C1 ZINC000832647695 603607897 /nfs/dbraw/zinc/60/78/97/603607897.db2.gz LSAOFOLBRDKNHS-DYVFJYSZSA-N -1 0 368.434 -0.321 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(CN2C[C@]3(CCOC3)CC2=O)C1 ZINC000832647696 603607310 /nfs/dbraw/zinc/60/73/10/603607310.db2.gz LSAOFOLBRDKNHS-GUYCJALGSA-N -1 0 368.434 -0.321 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(CN2C[C@@]3(CCOC3)CC2=O)C1 ZINC000832647697 603607228 /nfs/dbraw/zinc/60/72/28/603607228.db2.gz LSAOFOLBRDKNHS-SUMWQHHRSA-N -1 0 368.434 -0.321 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccon2)C1 ZINC000832647771 603110618 /nfs/dbraw/zinc/11/06/18/603110618.db2.gz NFGDBQQMXHZAPT-JTQLQIEISA-N -1 0 360.392 -0.400 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccon2)C1 ZINC000832647772 603110773 /nfs/dbraw/zinc/11/07/73/603110773.db2.gz NFGDBQQMXHZAPT-SNVBAGLBSA-N -1 0 360.392 -0.400 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)[C@H](O)C2CCOCC2)C1 ZINC000832647890 661157470 /nfs/dbraw/zinc/15/74/70/661157470.db2.gz QCMLPDMFFBMIKM-CHWSQXEVSA-N -1 0 357.407 -0.604 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H](O)C2CCOCC2)C1 ZINC000832647891 661157388 /nfs/dbraw/zinc/15/73/88/661157388.db2.gz QCMLPDMFFBMIKM-OLZOCXBDSA-N -1 0 357.407 -0.604 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)[C@H](O)C2CCOCC2)C1 ZINC000832647892 661157418 /nfs/dbraw/zinc/15/74/18/661157418.db2.gz QCMLPDMFFBMIKM-QWHCGFSZSA-N -1 0 357.407 -0.604 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)[C@@H](O)C2CCOCC2)C1 ZINC000832647893 661157499 /nfs/dbraw/zinc/15/74/99/661157499.db2.gz QCMLPDMFFBMIKM-STQMWFEESA-N -1 0 357.407 -0.604 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[S@](=O)C2)C1 ZINC000832648021 604894440 /nfs/dbraw/zinc/89/44/40/604894440.db2.gz UVWMBZGNNSIJAO-JEKXNZCQSA-N -1 0 360.436 -0.687 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[S@@](=O)C2)C1 ZINC000832648022 604894431 /nfs/dbraw/zinc/89/44/31/604894431.db2.gz UVWMBZGNNSIJAO-UTDUZKHQSA-N -1 0 360.436 -0.687 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC[S@](=O)C2)C1 ZINC000832648023 604894836 /nfs/dbraw/zinc/89/48/36/604894836.db2.gz UVWMBZGNNSIJAO-VLBDKCSNSA-N -1 0 360.436 -0.687 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC[S@@](=O)C2)C1 ZINC000832648024 604894796 /nfs/dbraw/zinc/89/47/96/604894796.db2.gz UVWMBZGNNSIJAO-WVMLHGJZSA-N -1 0 360.436 -0.687 20 0 FBADRM O=C([O-])NCCNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000832648159 604782087 /nfs/dbraw/zinc/78/20/87/604782087.db2.gz XGOGDWJOBHRZTL-UHFFFAOYSA-N -1 0 350.379 -0.711 20 0 FBADRM O=C([O-])NCCNC(=O)N1CCc2ncnc(N3CCOCC3)c2C1 ZINC000832652517 603848588 /nfs/dbraw/zinc/84/85/88/603848588.db2.gz DHDIDDACSNXCGS-UHFFFAOYSA-N -1 0 350.379 -0.352 20 0 FBADRM O=C([O-])NCCNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000832652867 603746747 /nfs/dbraw/zinc/74/67/47/603746747.db2.gz MCVHFLVHNNVTKA-UHFFFAOYSA-N -1 0 361.380 -0.901 20 0 FBADRM O=C([O-])NCCNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000832653541 604160374 /nfs/dbraw/zinc/16/03/74/604160374.db2.gz YPXSQVNVEFWVLT-UHFFFAOYSA-N -1 0 362.330 -0.133 20 0 FBADRM COc1ncc(NC(=O)C(=O)NCc2ccc(C(=O)[O-])o2)cc1C(N)=O ZINC000832653869 601858049 /nfs/dbraw/zinc/85/80/49/601858049.db2.gz DMSKAQDJRGFLEU-UHFFFAOYSA-N -1 0 362.298 -0.265 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CCC(CC(=O)[O-])CC2)cc1C(N)=O ZINC000832653877 601851180 /nfs/dbraw/zinc/85/11/80/601851180.db2.gz DSUCUMYBMHWNJC-UHFFFAOYSA-N -1 0 364.358 -0.159 20 0 FBADRM COc1ncc(NC(=O)C(=O)NCC2(C(=O)[O-])CCCC2)cc1C(N)=O ZINC000832653941 601861949 /nfs/dbraw/zinc/86/19/49/601861949.db2.gz HBYPXISHXQYMSP-UHFFFAOYSA-N -1 0 364.358 -0.111 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1C(N)=O ZINC000832654191 601863506 /nfs/dbraw/zinc/86/35/06/601863506.db2.gz KSVFYELRTQKTOJ-AWEZNQCLSA-N -1 0 354.294 -0.847 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1C(N)=O ZINC000832654260 601863516 /nfs/dbraw/zinc/86/35/16/601863516.db2.gz KSVFYELRTQKTOJ-CQSZACIVSA-N -1 0 354.294 -0.847 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1C(N)=O ZINC000832654413 601866983 /nfs/dbraw/zinc/86/69/83/601866983.db2.gz NPLBJPBQOQEBGL-HNNXBMFYSA-N -1 0 350.331 -0.549 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1C(N)=O ZINC000832654414 601867184 /nfs/dbraw/zinc/86/71/84/601867184.db2.gz NPLBJPBQOQEBGL-OAHLLOKOSA-N -1 0 350.331 -0.549 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])cc1C(N)=O ZINC000832654714 604657944 /nfs/dbraw/zinc/65/79/44/604657944.db2.gz UVLAYUJJFFYYCN-SECBINFHSA-N -1 0 350.331 -0.407 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])cc1C(N)=O ZINC000832654715 604657884 /nfs/dbraw/zinc/65/78/84/604657884.db2.gz UVLAYUJJFFYYCN-VIFPVBQESA-N -1 0 350.331 -0.407 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1C(N)=O ZINC000832654736 601863454 /nfs/dbraw/zinc/86/34/54/601863454.db2.gz VRHUOCTXMGLRDR-MRVPVSSYSA-N -1 0 350.331 -0.549 20 0 FBADRM COc1ncc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1C(N)=O ZINC000832654737 601863514 /nfs/dbraw/zinc/86/35/14/601863514.db2.gz VRHUOCTXMGLRDR-QMMMGPOBSA-N -1 0 350.331 -0.549 20 0 FBADRM O=C([O-])NCCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000832657978 604328752 /nfs/dbraw/zinc/32/87/52/604328752.db2.gz HXHUPRIDVCLUBP-UHFFFAOYSA-N -1 0 351.406 -0.848 20 0 FBADRM O=C([O-])NCCOC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000832663606 605069439 /nfs/dbraw/zinc/06/94/39/605069439.db2.gz VODHTSWCRNLZCD-UHFFFAOYSA-N -1 0 351.363 -0.284 20 0 FBADRM O=C([O-])NCCOCC(=O)N1CCc2ncnc(N3CCOCC3)c2C1 ZINC000832663821 603838300 /nfs/dbraw/zinc/83/83/00/603838300.db2.gz YYEFQDQSHJCKMH-UHFFFAOYSA-N -1 0 365.390 -0.518 20 0 FBADRM CS(=O)(=O)CC1(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000832664460 601396364 /nfs/dbraw/zinc/39/63/64/601396364.db2.gz BDHVSHHNFDUQJI-UHFFFAOYSA-N -1 0 354.450 -0.558 20 0 FBADRM CS(=O)(=O)CC1(CC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1 ZINC000832664677 601181815 /nfs/dbraw/zinc/18/18/15/601181815.db2.gz LUKWOLZROZFKIB-UHFFFAOYSA-N -1 0 362.448 -0.553 20 0 FBADRM CS(=O)(=O)CC1(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000832664774 601396147 /nfs/dbraw/zinc/39/61/47/601396147.db2.gz QWDFFPRVRNARAC-UHFFFAOYSA-N -1 0 351.406 -0.929 20 0 FBADRM O=C([O-])NCCOc1cccc(NC(=O)C(=O)N[C@@H]2CCCNC2=O)c1 ZINC000832667077 603757229 /nfs/dbraw/zinc/75/72/29/603757229.db2.gz DAMYZSVKDQAZRS-GFCCVEGCSA-N -1 0 364.358 -0.334 20 0 FBADRM O=C([O-])NCCOc1cccc(NC(=O)C(=O)N[C@H]2CCCNC2=O)c1 ZINC000832667079 603757233 /nfs/dbraw/zinc/75/72/33/603757233.db2.gz DAMYZSVKDQAZRS-LBPRGKRZSA-N -1 0 364.358 -0.334 20 0 FBADRM O=C([O-])NCCOc1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)c1 ZINC000832668443 603722173 /nfs/dbraw/zinc/72/21/73/603722173.db2.gz LQIOGNHFJCKIQV-TXEJJXNPSA-N -1 0 367.358 -0.774 20 0 FBADRM O=C([O-])NCCOc1cccc(NC(=O)C(=O)N2CCO[C@@H](CO)C2)c1 ZINC000832668871 604075115 /nfs/dbraw/zinc/07/51/15/604075115.db2.gz QMJKVAHJBMSSFX-CYBMUJFWSA-N -1 0 367.358 -0.509 20 0 FBADRM O=C([O-])NCCOc1cccc(NC(=O)C(=O)N2CCO[C@H](CO)C2)c1 ZINC000832668872 604074878 /nfs/dbraw/zinc/07/48/78/604074878.db2.gz QMJKVAHJBMSSFX-ZDUSSCGKSA-N -1 0 367.358 -0.509 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000832670112 600811233 /nfs/dbraw/zinc/81/12/33/600811233.db2.gz BRCSXOASOHBHJD-UHFFFAOYSA-N -1 0 351.406 -0.047 20 0 FBADRM CS(=O)(=O)CCNc1ncnc(NCCS(C)(=O)=O)c1C(=O)[O-] ZINC000832670222 602293563 /nfs/dbraw/zinc/29/35/63/602293563.db2.gz FDXOBOMGNOCCOF-UHFFFAOYSA-N -1 0 366.421 -0.912 20 0 FBADRM CS(=O)(=O)CCOCCNc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000832670225 600817181 /nfs/dbraw/zinc/81/71/81/600817181.db2.gz FHURFVQZEHGFLM-UHFFFAOYSA-N -1 0 366.417 -0.495 20 0 FBADRM CS(=O)(=O)CCOCCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000832670245 600764542 /nfs/dbraw/zinc/76/45/42/600764542.db2.gz GTPBDDSHHCCDEH-UHFFFAOYSA-N -1 0 365.429 -0.347 20 0 FBADRM CS(=O)(=O)CCOCCNS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000832670257 600764642 /nfs/dbraw/zinc/76/46/42/600764642.db2.gz HKWSRKIZRXFVEI-UHFFFAOYSA-N -1 0 357.431 -0.214 20 0 FBADRM CS(=O)(=O)CCNC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000832670259 602212306 /nfs/dbraw/zinc/21/23/06/602212306.db2.gz HOFLJUXZQYQTJL-UHFFFAOYSA-N -1 0 364.401 -0.046 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000832670287 600909898 /nfs/dbraw/zinc/90/98/98/600909898.db2.gz JAOPEGDHZCFHQU-UHFFFAOYSA-N -1 0 358.372 -0.499 20 0 FBADRM CS(=O)(=O)CCOCCNS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000832670369 600764608 /nfs/dbraw/zinc/76/46/08/600764608.db2.gz MDOMBHQGATUHGO-UHFFFAOYSA-N -1 0 357.431 -0.214 20 0 FBADRM CS(=O)(=O)CCOCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000832670386 600764702 /nfs/dbraw/zinc/76/47/02/600764702.db2.gz MKOAWPWWSVPSLD-UHFFFAOYSA-N -1 0 351.402 -0.276 20 0 FBADRM CS(=O)(=O)CCN1CCC(NC(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC000832670390 601062043 /nfs/dbraw/zinc/06/20/43/601062043.db2.gz MKSXLQMJUHMLLX-UHFFFAOYSA-N -1 0 373.435 -0.402 20 0 FBADRM CS(=O)(=O)CCOCCNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000832670403 600764632 /nfs/dbraw/zinc/76/46/32/600764632.db2.gz MXARIZDTTPNHDN-UHFFFAOYSA-N -1 0 351.402 -0.276 20 0 FBADRM CS(=O)(=O)CCOCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000832670497 601251963 /nfs/dbraw/zinc/25/19/63/601251963.db2.gz SDEKSTXUUKGMNL-UHFFFAOYSA-N -1 0 369.392 -0.137 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000832670501 600909873 /nfs/dbraw/zinc/90/98/73/600909873.db2.gz STAWGYSSAQPHRM-UHFFFAOYSA-N -1 0 358.372 -0.499 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000832670570 600993119 /nfs/dbraw/zinc/99/31/19/600993119.db2.gz WXINJTGDMQRYRB-UHFFFAOYSA-N -1 0 357.450 -0.293 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N(CCC(=O)[O-])Cc1ccncc1 ZINC000832670575 601565263 /nfs/dbraw/zinc/56/52/63/601565263.db2.gz XDUUCKZQSFSJOW-UHFFFAOYSA-N -1 0 350.418 -0.267 20 0 FBADRM CS(=O)(=O)CCOCCNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000832670579 600764510 /nfs/dbraw/zinc/76/45/10/600764510.db2.gz XKJGIKZNPKDPNV-UHFFFAOYSA-N -1 0 365.429 -0.135 20 0 FBADRM CS(=O)(=O)CCOCCNS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000832670591 600764618 /nfs/dbraw/zinc/76/46/18/600764618.db2.gz XNZCHJFLDZWQTH-UHFFFAOYSA-N -1 0 357.431 -0.214 20 0 FBADRM CS(=O)(=O)CCOCCNS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000832670665 600764565 /nfs/dbraw/zinc/76/45/65/600764565.db2.gz XWPROTDBASZOLU-UHFFFAOYSA-N -1 0 365.429 -0.135 20 0 FBADRM CS(=O)(=O)CCOCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000832670707 600764688 /nfs/dbraw/zinc/76/46/88/600764688.db2.gz ZVVLLXBJMGOBTO-UHFFFAOYSA-N -1 0 369.392 -0.137 20 0 FBADRM CS(=O)(=O)CCn1ccc(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)n1 ZINC000832675884 661157409 /nfs/dbraw/zinc/15/74/09/661157409.db2.gz GFJCMGMBKBJQLB-JTQLQIEISA-N -1 0 360.392 -0.365 20 0 FBADRM CS(=O)(=O)CCn1ccc(NC(=O)N2CCO[C@H](CC(=O)[O-])C2)n1 ZINC000832675885 661157497 /nfs/dbraw/zinc/15/74/97/661157497.db2.gz GFJCMGMBKBJQLB-SNVBAGLBSA-N -1 0 360.392 -0.365 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000832676196 600749992 /nfs/dbraw/zinc/74/99/92/600749992.db2.gz LWARFTMKDVIEAQ-UHFFFAOYSA-N -1 0 351.402 -0.386 20 0 FBADRM CS(=O)(=O)CCn1ccc(NC(=O)Nc2ccn(CC(=O)[O-])n2)n1 ZINC000832676455 602208490 /nfs/dbraw/zinc/20/84/90/602208490.db2.gz QJYNZOVHFGWLSW-UHFFFAOYSA-N -1 0 356.364 -0.147 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)NCCCN1CCC(C(=O)[O-])CC1 ZINC000832676492 600711229 /nfs/dbraw/zinc/71/12/29/600711229.db2.gz SIIWBPXVJYHTAZ-UHFFFAOYSA-N -1 0 356.466 -0.863 20 0 FBADRM CS(=O)(=O)Cc1ccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)cc1 ZINC000832676509 601197336 /nfs/dbraw/zinc/19/73/36/601197336.db2.gz UKRCVPFKAJRJRA-UHFFFAOYSA-N -1 0 352.372 -0.163 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000832676664 600743725 /nfs/dbraw/zinc/74/37/25/600743725.db2.gz YXQFRIQHGUMMLH-UHFFFAOYSA-N -1 0 351.402 -0.272 20 0 FBADRM CS(=O)(=O)N1CCC(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC000832681482 601511711 /nfs/dbraw/zinc/51/17/11/601511711.db2.gz AELKFXQVROBYGL-UHFFFAOYSA-N -1 0 368.477 -0.168 20 0 FBADRM CS(=O)(=O)Cc1cccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000832681587 601280025 /nfs/dbraw/zinc/28/00/25/601280025.db2.gz CXQXELIFVOYVRS-UHFFFAOYSA-N -1 0 352.372 -0.163 20 0 FBADRM CS(=O)(=O)N1CCC(CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC000832681956 601771573 /nfs/dbraw/zinc/77/15/73/601771573.db2.gz NFPJVGCVYJRAMJ-GFCCVEGCSA-N -1 0 363.436 -0.457 20 0 FBADRM CS(=O)(=O)N1CCC(CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC000832681957 601771609 /nfs/dbraw/zinc/77/16/09/601771609.db2.gz NFPJVGCVYJRAMJ-LBPRGKRZSA-N -1 0 363.436 -0.457 20 0 FBADRM CS(=O)(=O)N1CCC(CNC(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC000832682212 601067964 /nfs/dbraw/zinc/06/79/64/601067964.db2.gz ZWKACTAQFCTLRC-UHFFFAOYSA-N -1 0 359.408 -0.239 20 0 FBADRM O=C([O-])NCc1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)o1 ZINC000832683312 603244678 /nfs/dbraw/zinc/24/46/78/603244678.db2.gz DWDYPLVXJAMHET-LLVKDONJSA-N -1 0 371.415 -0.008 20 0 FBADRM O=C([O-])NCc1ccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)o1 ZINC000832683316 603244699 /nfs/dbraw/zinc/24/46/99/603244699.db2.gz DWDYPLVXJAMHET-NSHDSACASA-N -1 0 371.415 -0.008 20 0 FBADRM O=C([O-])NCc1ccc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)o1 ZINC000832684595 603346085 /nfs/dbraw/zinc/34/60/85/603346085.db2.gz TWJBOZXBZFGVRD-UHFFFAOYSA-N -1 0 364.358 -0.390 20 0 FBADRM O=C([O-])NCc1ccc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)o1 ZINC000832684999 602826164 /nfs/dbraw/zinc/82/61/64/602826164.db2.gz YJQVQTAGAFZCPJ-UHFFFAOYSA-N -1 0 363.334 -0.982 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N[C@@H](C(=O)[O-])c2cccs2)CC1 ZINC000832687421 602329425 /nfs/dbraw/zinc/32/94/25/602329425.db2.gz BEJUEULRLHTVTG-GFCCVEGCSA-N -1 0 361.445 -0.433 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N[C@H](C(=O)[O-])c2cccs2)CC1 ZINC000832687422 602329431 /nfs/dbraw/zinc/32/94/31/602329431.db2.gz BEJUEULRLHTVTG-LBPRGKRZSA-N -1 0 361.445 -0.433 20 0 FBADRM CS(=O)(=O)N1CCC(NS(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC000832687443 601506826 /nfs/dbraw/zinc/50/68/26/601506826.db2.gz CLFONOJFYGVHIC-UHFFFAOYSA-N -1 0 354.450 -0.415 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)NC[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000832687451 601968848 /nfs/dbraw/zinc/96/88/48/601968848.db2.gz CWANZQMRUHXXTB-AWEZNQCLSA-N -1 0 369.443 -0.452 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000832687452 601969191 /nfs/dbraw/zinc/96/91/91/601969191.db2.gz CWANZQMRUHXXTB-CQSZACIVSA-N -1 0 369.443 -0.452 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC000832687460 602325382 /nfs/dbraw/zinc/32/53/82/602325382.db2.gz DCGQZJOOBLNDBJ-UHFFFAOYSA-N -1 0 371.415 -0.334 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000832687461 602305035 /nfs/dbraw/zinc/30/50/35/602305035.db2.gz DHIQIBGNCSJRDR-CQSZACIVSA-N -1 0 355.416 -0.494 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000832687473 600908512 /nfs/dbraw/zinc/90/85/12/600908512.db2.gz DXUHVCTYBBUWNU-CHWSQXEVSA-N -1 0 361.464 -0.429 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000832687474 600908382 /nfs/dbraw/zinc/90/83/82/600908382.db2.gz DXUHVCTYBBUWNU-OLZOCXBDSA-N -1 0 361.464 -0.429 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000832687475 600908554 /nfs/dbraw/zinc/90/85/54/600908554.db2.gz DXUHVCTYBBUWNU-QWHCGFSZSA-N -1 0 361.464 -0.429 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000832687476 600908575 /nfs/dbraw/zinc/90/85/75/600908575.db2.gz DXUHVCTYBBUWNU-STQMWFEESA-N -1 0 361.464 -0.429 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000832687488 602402867 /nfs/dbraw/zinc/40/28/67/602402867.db2.gz GHMYVVSJEGGWTR-UHFFFAOYSA-N -1 0 373.362 -0.434 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000832687490 604488343 /nfs/dbraw/zinc/48/83/43/604488343.db2.gz GMXWQXOVWYXNCH-UHFFFAOYSA-N -1 0 361.401 -0.511 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000832687491 602347742 /nfs/dbraw/zinc/34/77/42/602347742.db2.gz GQCWWPJTYINIGD-UHFFFAOYSA-N -1 0 370.431 -0.030 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N[C@H](C(=O)[O-])C2CCCCC2)CC1 ZINC000832687705 602350001 /nfs/dbraw/zinc/35/00/01/602350001.db2.gz IBGAKQRZZHCMQR-AWEZNQCLSA-N -1 0 361.464 -0.287 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)CC1 ZINC000832687706 602349919 /nfs/dbraw/zinc/34/99/19/602349919.db2.gz IBGAKQRZZHCMQR-CQSZACIVSA-N -1 0 361.464 -0.287 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC000832687725 601279999 /nfs/dbraw/zinc/27/99/99/601279999.db2.gz JKEODIKKXRDNFY-UHFFFAOYSA-N -1 0 356.404 -0.913 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)c2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000832687729 604949015 /nfs/dbraw/zinc/94/90/15/604949015.db2.gz KIBFIDNICGQUGX-UHFFFAOYSA-N -1 0 373.406 -0.169 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000832687732 602324920 /nfs/dbraw/zinc/32/49/20/602324920.db2.gz KNIIWYUFLHNAGH-AWEZNQCLSA-N -1 0 369.443 -0.104 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N[C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000832687733 602324827 /nfs/dbraw/zinc/32/48/27/602324827.db2.gz KNIIWYUFLHNAGH-CQSZACIVSA-N -1 0 369.443 -0.104 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1 ZINC000832687740 602326471 /nfs/dbraw/zinc/32/64/71/602326471.db2.gz KYWCKCIHILGXNA-IHRRRGAJSA-N -1 0 373.475 -0.192 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])CC1 ZINC000832687741 602326441 /nfs/dbraw/zinc/32/64/41/602326441.db2.gz KYWCKCIHILGXNA-MCIONIFRSA-N -1 0 373.475 -0.192 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])CC1 ZINC000832687742 602326241 /nfs/dbraw/zinc/32/62/41/602326241.db2.gz KYWCKCIHILGXNA-MJBXVCDLSA-N -1 0 373.475 -0.192 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)CC1 ZINC000832687743 602326444 /nfs/dbraw/zinc/32/64/44/602326444.db2.gz KYWCKCIHILGXNA-RDBSUJKOSA-N -1 0 373.475 -0.192 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N(CC(=O)[O-])Cc2ccccc2)CC1 ZINC000832687747 602326267 /nfs/dbraw/zinc/32/62/67/602326267.db2.gz LIVPYOMASULTNF-UHFFFAOYSA-N -1 0 369.443 -0.323 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CC1 ZINC000832687752 601957310 /nfs/dbraw/zinc/95/73/10/601957310.db2.gz MCNWBQLHJNGURN-GFCCVEGCSA-N -1 0 359.448 -0.723 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CC1 ZINC000832687753 601956970 /nfs/dbraw/zinc/95/69/70/601956970.db2.gz MCNWBQLHJNGURN-LBPRGKRZSA-N -1 0 359.448 -0.723 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)N2CCC[C@@H]2CC(=O)[O-])CC1 ZINC000832687754 604509065 /nfs/dbraw/zinc/50/90/65/604509065.db2.gz MDLBDDTXSPOFCL-GFCCVEGCSA-N -1 0 362.452 -0.788 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)N2CCC[C@H]2CC(=O)[O-])CC1 ZINC000832687755 604509399 /nfs/dbraw/zinc/50/93/99/604509399.db2.gz MDLBDDTXSPOFCL-LBPRGKRZSA-N -1 0 362.452 -0.788 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000832687763 604697695 /nfs/dbraw/zinc/69/76/95/604697695.db2.gz NBBWWWXSRQTCQC-LLVKDONJSA-N -1 0 360.392 -0.738 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000832687764 604697606 /nfs/dbraw/zinc/69/76/06/604697606.db2.gz NBBWWWXSRQTCQC-NSHDSACASA-N -1 0 360.392 -0.738 20 0 FBADRM CS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])CC1 ZINC000832687767 601977086 /nfs/dbraw/zinc/97/70/86/601977086.db2.gz NLTICICTHQETSK-UHFFFAOYSA-N -1 0 366.392 -0.210 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC000832687770 601509829 /nfs/dbraw/zinc/50/98/29/601509829.db2.gz OCBLEPMGCUKCLI-JTQLQIEISA-N -1 0 354.450 -0.415 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC000832687771 601509801 /nfs/dbraw/zinc/50/98/01/601509801.db2.gz OCBLEPMGCUKCLI-SNVBAGLBSA-N -1 0 354.450 -0.415 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CC1 ZINC000832687772 602344871 /nfs/dbraw/zinc/34/48/71/602344871.db2.gz OEIUYQJWHJEYHX-UHFFFAOYSA-N -1 0 367.427 -0.196 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000832687779 602326201 /nfs/dbraw/zinc/32/62/01/602326201.db2.gz OTTLGVFZNZESPQ-UHFFFAOYSA-N -1 0 371.415 -0.334 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2sccc2C(=O)[O-])CC1 ZINC000832687800 600873419 /nfs/dbraw/zinc/87/34/19/600873419.db2.gz QTOWLJBCXDCPOY-UHFFFAOYSA-N -1 0 361.401 -0.511 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC000832688021 602346576 /nfs/dbraw/zinc/34/65/76/602346576.db2.gz RWNUZTJJNGNAOI-CYBMUJFWSA-N -1 0 367.427 -0.221 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC000832688022 602346245 /nfs/dbraw/zinc/34/62/45/602346245.db2.gz RWNUZTJJNGNAOI-ZDUSSCGKSA-N -1 0 367.427 -0.221 20 0 FBADRM CS(=O)(=O)N1CCCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC000832688025 601506718 /nfs/dbraw/zinc/50/67/18/601506718.db2.gz SCRQOWMPSNFURD-UHFFFAOYSA-N -1 0 354.450 -0.462 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)NC2(CC(=O)[O-])CCCCC2)CC1 ZINC000832688026 602348468 /nfs/dbraw/zinc/34/84/68/602348468.db2.gz SHBPAQWWZILUON-UHFFFAOYSA-N -1 0 361.464 -0.143 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)Nc2ccc(CC(=O)[O-])cc2)CC1 ZINC000832688029 602324803 /nfs/dbraw/zinc/32/48/03/602324803.db2.gz TUIUTKLNYFYAFU-UHFFFAOYSA-N -1 0 355.416 -0.171 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N2CCc3cc(C(=O)[O-])ccc32)CC1 ZINC000832688034 602324758 /nfs/dbraw/zinc/32/47/58/602324758.db2.gz TWCHVTCZFXGKJY-UHFFFAOYSA-N -1 0 367.427 -0.149 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N[C@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000832688060 602349978 /nfs/dbraw/zinc/34/99/78/602349978.db2.gz WMQDTHUIBDZXSH-AWEZNQCLSA-N -1 0 373.406 -0.355 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000832688061 602349907 /nfs/dbraw/zinc/34/99/07/602349907.db2.gz WMQDTHUIBDZXSH-CQSZACIVSA-N -1 0 373.406 -0.355 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)N2CCC(CCC(=O)[O-])CC2)CC1 ZINC000832688126 601973741 /nfs/dbraw/zinc/97/37/41/601973741.db2.gz ZPPRLSWAYUQOFQ-UHFFFAOYSA-N -1 0 361.464 -0.333 20 0 FBADRM O=C([O-])NCc1ccc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)o1 ZINC000832690025 603331019 /nfs/dbraw/zinc/33/10/19/603331019.db2.gz FGOMYJGUUGVNCP-SECBINFHSA-N -1 0 373.387 -0.530 20 0 FBADRM O=C([O-])NCc1ccc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)o1 ZINC000832690026 603331108 /nfs/dbraw/zinc/33/11/08/603331108.db2.gz FGOMYJGUUGVNCP-VIFPVBQESA-N -1 0 373.387 -0.530 20 0 FBADRM O=C([O-])NCc1ccc(C(=O)NCC(=O)NCCN2CCOCC2)o1 ZINC000832690971 602914257 /nfs/dbraw/zinc/91/42/57/602914257.db2.gz OQORZKHOWDIPNA-UHFFFAOYSA-N -1 0 354.363 -0.775 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000832694147 601858250 /nfs/dbraw/zinc/85/82/50/601858250.db2.gz AEMNJDGFTKVVRN-SECBINFHSA-N -1 0 373.362 -0.388 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000832694150 601858245 /nfs/dbraw/zinc/85/82/45/601858245.db2.gz AEMNJDGFTKVVRN-VIFPVBQESA-N -1 0 373.362 -0.388 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000832694165 604538574 /nfs/dbraw/zinc/53/85/74/604538574.db2.gz APTJVZYEZYULDF-MRVPVSSYSA-N -1 0 361.401 -0.465 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000832694166 604539861 /nfs/dbraw/zinc/53/98/61/604539861.db2.gz APTJVZYEZYULDF-QMMMGPOBSA-N -1 0 361.401 -0.465 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000832694212 601570815 /nfs/dbraw/zinc/57/08/15/601570815.db2.gz BILWRLPKUXSHKA-SSDOTTSWSA-N -1 0 369.446 -0.456 20 0 FBADRM CS(=O)(=O)N[C@H]1CCCN(S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000832694213 601570650 /nfs/dbraw/zinc/57/06/50/601570650.db2.gz BILWRLPKUXSHKA-ZETCQYMHSA-N -1 0 369.446 -0.456 20 0 FBADRM CS(=O)(=O)NC1(CNC(=O)Cn2cc(C(=O)[O-])nn2)CCCCC1 ZINC000832694454 601274373 /nfs/dbraw/zinc/27/43/73/601274373.db2.gz DPUSIAAPPQZREA-UHFFFAOYSA-N -1 0 359.408 -0.655 20 0 FBADRM CS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC000832694456 601507555 /nfs/dbraw/zinc/50/75/55/601507555.db2.gz DSGLDZSYKULNPO-LLVKDONJSA-N -1 0 368.477 -0.168 20 0 FBADRM CS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC000832694458 601507545 /nfs/dbraw/zinc/50/75/45/601507545.db2.gz DSGLDZSYKULNPO-NSHDSACASA-N -1 0 368.477 -0.168 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2sccc2C(=O)[O-])C1 ZINC000832694540 600895777 /nfs/dbraw/zinc/89/57/77/600895777.db2.gz GNTHRKRIHGXXPR-SSDOTTSWSA-N -1 0 361.401 -0.465 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2sccc2C(=O)[O-])C1 ZINC000832694541 600896007 /nfs/dbraw/zinc/89/60/07/600896007.db2.gz GNTHRKRIHGXXPR-ZETCQYMHSA-N -1 0 361.401 -0.465 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000832694808 601757523 /nfs/dbraw/zinc/75/75/23/601757523.db2.gz JNTVFZPBDHWEMA-NXEZZACHSA-N -1 0 359.408 -0.193 20 0 FBADRM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000832694809 601757590 /nfs/dbraw/zinc/75/75/90/601757590.db2.gz JNTVFZPBDHWEMA-UWVGGRQHSA-N -1 0 359.408 -0.193 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000832694810 601757665 /nfs/dbraw/zinc/75/76/65/601757665.db2.gz JNTVFZPBDHWEMA-VHSXEESVSA-N -1 0 359.408 -0.193 20 0 FBADRM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000832694811 601757607 /nfs/dbraw/zinc/75/76/07/601757607.db2.gz JNTVFZPBDHWEMA-ZJUUUORDSA-N -1 0 359.408 -0.193 20 0 FBADRM CS(=O)(=O)NCCCNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000832694830 601569974 /nfs/dbraw/zinc/56/99/74/601569974.db2.gz KJKVWMKXZFCKLT-UHFFFAOYSA-N -1 0 372.371 -0.119 20 0 FBADRM CS(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000832695076 601507573 /nfs/dbraw/zinc/50/75/73/601507573.db2.gz LFFNCBAZRHFSCM-LLVKDONJSA-N -1 0 368.477 -0.025 20 0 FBADRM CS(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000832695077 601507593 /nfs/dbraw/zinc/50/75/93/601507593.db2.gz LFFNCBAZRHFSCM-NSHDSACASA-N -1 0 368.477 -0.025 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])C1 ZINC000832695083 601983473 /nfs/dbraw/zinc/98/34/73/601983473.db2.gz LHPMNBYQKJININ-MRVPVSSYSA-N -1 0 366.392 -0.164 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])C1 ZINC000832695084 601983246 /nfs/dbraw/zinc/98/32/46/601983246.db2.gz LHPMNBYQKJININ-QMMMGPOBSA-N -1 0 366.392 -0.164 20 0 FBADRM CS(=O)(=O)NCCC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000832695142 602252779 /nfs/dbraw/zinc/25/27/79/602252779.db2.gz MVUNLOCYEFILCX-UHFFFAOYSA-N -1 0 364.401 -0.334 20 0 FBADRM CS(=O)(=O)NCCNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000832695435 601569989 /nfs/dbraw/zinc/56/99/89/601569989.db2.gz QDYKHQRNAYZYBE-UHFFFAOYSA-N -1 0 358.344 -0.510 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000832695467 601812439 /nfs/dbraw/zinc/81/24/39/601812439.db2.gz QMQQZPICBQOJIA-PSASIEDQSA-N -1 0 365.433 -0.291 20 0 FBADRM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000832695468 601812721 /nfs/dbraw/zinc/81/27/21/601812721.db2.gz QMQQZPICBQOJIA-SCZZXKLOSA-N -1 0 365.433 -0.291 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000832695470 601812699 /nfs/dbraw/zinc/81/26/99/601812699.db2.gz QMQQZPICBQOJIA-WCBMZHEXSA-N -1 0 365.433 -0.291 20 0 FBADRM CS(=O)(=O)N[C@H]1CCC[C@H]1CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000832695472 601812525 /nfs/dbraw/zinc/81/25/25/601812525.db2.gz QMQQZPICBQOJIA-WPRPVWTQSA-N -1 0 365.433 -0.291 20 0 FBADRM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000832695541 601812490 /nfs/dbraw/zinc/81/24/90/601812490.db2.gz RVOOPLXVOLHXSO-BDAKNGLRSA-N -1 0 366.417 -0.026 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000832695548 601812433 /nfs/dbraw/zinc/81/24/33/601812433.db2.gz RVOOPLXVOLHXSO-DTWKUNHWSA-N -1 0 366.417 -0.026 20 0 FBADRM CS(=O)(=O)N[C@H]1CCC[C@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000832695550 601812531 /nfs/dbraw/zinc/81/25/31/601812531.db2.gz RVOOPLXVOLHXSO-IUCAKERBSA-N -1 0 366.417 -0.026 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000832695553 601812478 /nfs/dbraw/zinc/81/24/78/601812478.db2.gz RVOOPLXVOLHXSO-RKDXNWHRSA-N -1 0 366.417 -0.026 20 0 FBADRM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC000832695745 601066118 /nfs/dbraw/zinc/06/61/18/601066118.db2.gz SXKRWCDXAOIXOW-JTQLQIEISA-N -1 0 359.408 -0.239 20 0 FBADRM CS(=O)(=O)NC[C@H]1CCCN(C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC000832695747 601066279 /nfs/dbraw/zinc/06/62/79/601066279.db2.gz SXKRWCDXAOIXOW-SNVBAGLBSA-N -1 0 359.408 -0.239 20 0 FBADRM CS(=O)(=O)NC1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC000832695782 601505613 /nfs/dbraw/zinc/50/56/13/601505613.db2.gz UKWPLFWZKZXCGB-UHFFFAOYSA-N -1 0 354.450 -0.415 20 0 FBADRM CS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000832695882 602402735 /nfs/dbraw/zinc/40/27/35/602402735.db2.gz WYFOCJFTVOMKGQ-UHFFFAOYSA-N -1 0 361.351 -0.482 20 0 FBADRM CS(=O)(=O)N[C@H]1CCCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC000832696000 601507519 /nfs/dbraw/zinc/50/75/19/601507519.db2.gz XFRMLOYPZXMPLG-JTQLQIEISA-N -1 0 354.450 -0.415 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC000832696001 601507477 /nfs/dbraw/zinc/50/74/77/601507477.db2.gz XFRMLOYPZXMPLG-SNVBAGLBSA-N -1 0 354.450 -0.415 20 0 FBADRM CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000832696038 601277166 /nfs/dbraw/zinc/27/71/66/601277166.db2.gz YOSZYURMDFIUFL-JTQLQIEISA-N -1 0 359.408 -0.703 20 0 FBADRM CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000832696039 601277292 /nfs/dbraw/zinc/27/72/92/601277292.db2.gz YOSZYURMDFIUFL-SNVBAGLBSA-N -1 0 359.408 -0.703 20 0 FBADRM O=C([O-])NCc1ccc(C(=O)NCCNS(=O)(=O)Cc2ccon2)o1 ZINC000832697418 603998335 /nfs/dbraw/zinc/99/83/35/603998335.db2.gz BRMOTQCSEFYYMG-UHFFFAOYSA-N -1 0 372.359 -0.115 20 0 FBADRM O=C([O-])NCc1ccc(C(=O)NCCS(=O)(=O)N2CCOCC2)o1 ZINC000832698019 602778905 /nfs/dbraw/zinc/77/89/05/602778905.db2.gz SRMZZKDPYATBGZ-UHFFFAOYSA-N -1 0 361.376 -0.561 20 0 FBADRM CS(=O)(=O)NCc1ccc(NC(=O)Cn2cc(C(=O)[O-])nn2)cc1 ZINC000832699371 601287268 /nfs/dbraw/zinc/28/72/68/601287268.db2.gz HNUJRAKRLLXVKL-UHFFFAOYSA-N -1 0 353.360 -0.336 20 0 FBADRM CS(=O)(=O)NCc1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)o1 ZINC000832699399 604696239 /nfs/dbraw/zinc/69/62/39/604696239.db2.gz IXXZFEQJJVXJMA-UHFFFAOYSA-N -1 0 372.359 -0.596 20 0 FBADRM CS(=O)(=O)Nc1ccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)cc1 ZINC000832699655 601276593 /nfs/dbraw/zinc/27/65/93/601276593.db2.gz NIRYRPPDOKWIOT-UHFFFAOYSA-N -1 0 353.360 -0.336 20 0 FBADRM CS(=O)(=O)c1cc(N)cc(C(=O)OCCc2cn(CC(=O)[O-])nn2)c1 ZINC000832703931 604838898 /nfs/dbraw/zinc/83/88/98/604838898.db2.gz LJYKTEIDEKFZKD-UHFFFAOYSA-N -1 0 368.371 -0.252 20 0 FBADRM CS(=O)(=O)Nc1cccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000832704141 601273622 /nfs/dbraw/zinc/27/36/22/601273622.db2.gz YXYDLWHBTASUSE-UHFFFAOYSA-N -1 0 353.360 -0.336 20 0 FBADRM CS(=O)(=O)c1cc(NC(=O)N(CCO)CCCO)cc(C(=O)[O-])c1 ZINC000832709218 602216950 /nfs/dbraw/zinc/21/69/50/602216950.db2.gz IMJHOYBLKGYEBK-UHFFFAOYSA-N -1 0 360.388 -0.003 20 0 FBADRM CS(=O)(=O)c1cc(NC(=O)CN2CC(=O)NC2=O)cc(C(=O)[O-])c1 ZINC000832709433 602253736 /nfs/dbraw/zinc/25/37/36/602253736.db2.gz MRKWYRVMMKAYQM-UHFFFAOYSA-N -1 0 355.328 -0.721 20 0 FBADRM CS(=O)(=O)c1cc(NC(=O)N2CCO[C@@H](C(N)=O)C2)cc(C(=O)[O-])c1 ZINC000832709491 602212412 /nfs/dbraw/zinc/21/24/12/602212412.db2.gz PMKOSNBOVSZLIV-LLVKDONJSA-N -1 0 371.371 -0.494 20 0 FBADRM CS(=O)(=O)c1cc(NC(=O)N2CCO[C@H](C(N)=O)C2)cc(C(=O)[O-])c1 ZINC000832709492 602212669 /nfs/dbraw/zinc/21/26/69/602212669.db2.gz PMKOSNBOVSZLIV-NSHDSACASA-N -1 0 371.371 -0.494 20 0 FBADRM CS(=O)(=O)c1cc(NC(=O)N2CCN(CCO)CC2)cc(C(=O)[O-])c1 ZINC000832709686 602108482 /nfs/dbraw/zinc/10/84/82/602108482.db2.gz VHSHBJVBFISZSG-UHFFFAOYSA-N -1 0 371.415 -0.070 20 0 FBADRM CS(=O)(=O)c1cc(NC(=O)Cn2cccnc2=O)cc(C(=O)[O-])c1 ZINC000832709701 602255014 /nfs/dbraw/zinc/25/50/14/602255014.db2.gz VQBMYVZTAJTYEF-UHFFFAOYSA-N -1 0 351.340 -0.016 20 0 FBADRM O=C([O-])NCc1ccc(C(=O)OCC(=O)NCC(=O)N2CCCC2)o1 ZINC000832710801 604018629 /nfs/dbraw/zinc/01/86/29/604018629.db2.gz VMYGOKHSHBIAOW-UHFFFAOYSA-N -1 0 353.331 -0.057 20 0 FBADRM CS(=O)(=O)c1cc(NC(=O)NCCn2ncnn2)cc(C(=O)[O-])c1 ZINC000832713006 604354195 /nfs/dbraw/zinc/35/41/95/604354195.db2.gz ASNJBMVFQFDCTB-UHFFFAOYSA-N -1 0 354.348 -0.404 20 0 FBADRM CS(=O)(=O)c1ccc(CNC(=O)CN2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000832716053 601570223 /nfs/dbraw/zinc/57/02/23/601570223.db2.gz DEQHSHSOGSVFRV-CYBMUJFWSA-N -1 0 370.427 -0.118 20 0 FBADRM CS(=O)(=O)c1ccc(CNC(=O)CN2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000832716055 601570281 /nfs/dbraw/zinc/57/02/81/601570281.db2.gz DEQHSHSOGSVFRV-ZDUSSCGKSA-N -1 0 370.427 -0.118 20 0 FBADRM CS(=O)(=O)c1ccc(-n2nnnc2CN2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000832716105 601558639 /nfs/dbraw/zinc/55/86/39/601558639.db2.gz FQXINTFARIPSBM-GFCCVEGCSA-N -1 0 367.387 -0.649 20 0 FBADRM CS(=O)(=O)c1ccc(-n2nnnc2CN2CCOC[C@H]2C(=O)[O-])cc1 ZINC000832716107 601558591 /nfs/dbraw/zinc/55/85/91/601558591.db2.gz FQXINTFARIPSBM-LBPRGKRZSA-N -1 0 367.387 -0.649 20 0 FBADRM O=C([O-])NCc1cccc(NC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000832718914 603683605 /nfs/dbraw/zinc/68/36/05/603683605.db2.gz AKAPOWPJHXPZQO-LLVKDONJSA-N -1 0 355.372 -0.304 20 0 FBADRM O=C([O-])NCc1cccc(NC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000832718916 603684636 /nfs/dbraw/zinc/68/46/36/603684636.db2.gz AKAPOWPJHXPZQO-NSHDSACASA-N -1 0 355.372 -0.304 20 0 FBADRM O=C([O-])NCc1cccc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)c1 ZINC000832719340 603718495 /nfs/dbraw/zinc/71/84/95/603718495.db2.gz FNUGHFVYBMYBFG-UHFFFAOYSA-N -1 0 363.330 -0.939 20 0 FBADRM O=C([O-])NCc1cccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000832719567 603726360 /nfs/dbraw/zinc/72/63/60/603726360.db2.gz MIVYRBBTMKSELU-GFCCVEGCSA-N -1 0 361.358 -0.371 20 0 FBADRM O=C([O-])NCc1cccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)c1 ZINC000832719568 603725976 /nfs/dbraw/zinc/72/59/76/603725976.db2.gz MIVYRBBTMKSELU-LBPRGKRZSA-N -1 0 361.358 -0.371 20 0 FBADRM O=C([O-])NCc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000832719578 603732525 /nfs/dbraw/zinc/73/25/25/603732525.db2.gz MOGBYTIMQBBPDA-UHFFFAOYSA-N -1 0 355.372 -0.350 20 0 FBADRM O=C([O-])NCc1cccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)c1 ZINC000832719830 603732595 /nfs/dbraw/zinc/73/25/95/603732595.db2.gz VMLGEDHVCSWPAQ-UHFFFAOYSA-N -1 0 362.342 -0.342 20 0 FBADRM O=C([O-])NCc1cccc(NC(=O)C(=O)NCCN2CCOCC2)c1 ZINC000832719929 603686055 /nfs/dbraw/zinc/68/60/55/603686055.db2.gz YWTYUAIGBJRDBN-UHFFFAOYSA-N -1 0 350.375 -0.159 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])cn1 ZINC000832719996 604663338 /nfs/dbraw/zinc/66/33/38/604663338.db2.gz CIDIGLWAARJUQJ-JTQLQIEISA-N -1 0 355.372 -0.111 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])cn1 ZINC000832719997 604663285 /nfs/dbraw/zinc/66/32/85/604663285.db2.gz CIDIGLWAARJUQJ-SNVBAGLBSA-N -1 0 355.372 -0.111 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)cn1 ZINC000832720003 601482763 /nfs/dbraw/zinc/48/27/63/601482763.db2.gz CSQVWDQLAPZDIG-CYBMUJFWSA-N -1 0 359.335 -0.551 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cn1 ZINC000832720004 601482817 /nfs/dbraw/zinc/48/28/17/601482817.db2.gz CSQVWDQLAPZDIG-ZDUSSCGKSA-N -1 0 359.335 -0.551 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000832720037 601492641 /nfs/dbraw/zinc/49/26/41/601492641.db2.gz HIRPCMZILVWUQE-LLVKDONJSA-N -1 0 370.383 -0.269 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000832720038 601492619 /nfs/dbraw/zinc/49/26/19/601492619.db2.gz HIRPCMZILVWUQE-NSHDSACASA-N -1 0 370.383 -0.269 20 0 FBADRM CS(=O)(=O)c1ccc(OCCNC(=O)Cn2cc(C(=O)[O-])nn2)cc1 ZINC000832720044 601200242 /nfs/dbraw/zinc/20/02/42/601200242.db2.gz HVUNZRCWJODUKX-UHFFFAOYSA-N -1 0 368.371 -0.425 20 0 FBADRM CS(=O)(=O)c1ccc(OCCN2CCNC(=O)[C@H]2CC(=O)[O-])cc1 ZINC000832720228 600815999 /nfs/dbraw/zinc/81/59/99/600815999.db2.gz NESGLQAIJDWQAF-CYBMUJFWSA-N -1 0 356.400 -0.256 20 0 FBADRM CS(=O)(=O)c1ccc(OCCN2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC000832720229 600816030 /nfs/dbraw/zinc/81/60/30/600816030.db2.gz NESGLQAIJDWQAF-ZDUSSCGKSA-N -1 0 356.400 -0.256 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1 ZINC000832720488 601344988 /nfs/dbraw/zinc/34/49/88/601344988.db2.gz RYEHOTGJDXBFQC-SECBINFHSA-N -1 0 355.372 -0.253 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)cn1 ZINC000832720489 601344884 /nfs/dbraw/zinc/34/48/84/601344884.db2.gz RYEHOTGJDXBFQC-VIFPVBQESA-N -1 0 355.372 -0.253 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cn1 ZINC000832720551 601493636 /nfs/dbraw/zinc/49/36/36/601493636.db2.gz VGRXQFWOFAHBCP-JTQLQIEISA-N -1 0 371.371 -0.874 20 0 FBADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)cn1 ZINC000832720554 601493561 /nfs/dbraw/zinc/49/35/61/601493561.db2.gz VGRXQFWOFAHBCP-SNVBAGLBSA-N -1 0 371.371 -0.874 20 0 FBADRM CS(=O)(=O)c1ccc(N)c(C(=O)OCCc2cn(CC(=O)[O-])nn2)c1 ZINC000832720627 604838891 /nfs/dbraw/zinc/83/88/91/604838891.db2.gz XNIFEOILDGKNJC-UHFFFAOYSA-N -1 0 368.371 -0.252 20 0 FBADRM CS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000832725241 601490932 /nfs/dbraw/zinc/49/09/32/601490932.db2.gz JYRCBHLPCBMQBH-LLVKDONJSA-N -1 0 370.383 -0.269 20 0 FBADRM CS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000832725244 601491131 /nfs/dbraw/zinc/49/11/31/601491131.db2.gz JYRCBHLPCBMQBH-NSHDSACASA-N -1 0 370.383 -0.269 20 0 FBADRM CS(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000832725291 601493659 /nfs/dbraw/zinc/49/36/59/601493659.db2.gz LBESDJOFSWIRLI-JTQLQIEISA-N -1 0 370.383 -0.269 20 0 FBADRM CS(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000832725295 601493491 /nfs/dbraw/zinc/49/34/91/601493491.db2.gz LBESDJOFSWIRLI-SNVBAGLBSA-N -1 0 370.383 -0.269 20 0 FBADRM C[S@](=O)CCN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000832729874 601585203 /nfs/dbraw/zinc/58/52/03/601585203.db2.gz KUDHPHWGJPLRQC-NRFANRHFSA-N -1 0 350.418 -0.337 20 0 FBADRM C[S@@](=O)CCN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000832729875 601585109 /nfs/dbraw/zinc/58/51/09/601585109.db2.gz KUDHPHWGJPLRQC-OAQYLSRUSA-N -1 0 350.418 -0.337 20 0 FBADRM O=C([O-])NCc1nnc(-c2ccc(NC(=O)CN3CC(=O)NC3=O)cc2)[nH]1 ZINC000832730932 603736193 /nfs/dbraw/zinc/73/61/93/603736193.db2.gz XUECMBBHQLJBNI-UHFFFAOYSA-N -1 0 373.329 -0.270 20 0 FBADRM C[S@](=O)CCN1CCN(CC(=O)NC2(C(=O)[O-])CCCCC2)CC1 ZINC000832731008 601831490 /nfs/dbraw/zinc/83/14/90/601831490.db2.gz UZVPGXHOGLBFMS-DEOSSOPVSA-N -1 0 359.492 -0.114 20 0 FBADRM C[S@@](=O)CCN1CCN(CC(=O)NC2(C(=O)[O-])CCCCC2)CC1 ZINC000832731009 601831535 /nfs/dbraw/zinc/83/15/35/601831535.db2.gz UZVPGXHOGLBFMS-XMMPIXPASA-N -1 0 359.492 -0.114 20 0 FBADRM O=C([O-])NCc1nc(C(=O)N2CCN(CCn3cncn3)CC2)cs1 ZINC000832735076 603451197 /nfs/dbraw/zinc/45/11/97/603451197.db2.gz UISCUBMAAJNBHM-UHFFFAOYSA-N -1 0 365.419 -0.040 20 0 FBADRM O=C([O-])NCc1nnnn1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000832738145 604032760 /nfs/dbraw/zinc/03/27/60/604032760.db2.gz FTJQWDHUXMYQKY-UHFFFAOYSA-N -1 0 365.419 -0.153 20 0 FBADRM O=C([O-])NCc1nnnn1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000832738163 605174906 /nfs/dbraw/zinc/17/49/06/605174906.db2.gz GWFXSFWUBSTRFZ-UHFFFAOYSA-N -1 0 363.334 -0.982 20 0 FBADRM O=C([O-])NCc1nnnn1CC(=O)NC(=O)c1ccc(OC(F)F)cc1 ZINC000832738198 604030973 /nfs/dbraw/zinc/03/09/73/604030973.db2.gz IHJZPORGDLKTMI-UHFFFAOYSA-N -1 0 370.272 -0.001 20 0 FBADRM O=C([O-])NCc1nnnn1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000832738205 605178465 /nfs/dbraw/zinc/17/84/65/605178465.db2.gz IRGAQMIZXMEOGM-UHFFFAOYSA-N -1 0 373.373 -0.351 20 0 FBADRM O=C([O-])NCc1nnnn1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000832738676 605174537 /nfs/dbraw/zinc/17/45/37/605174537.db2.gz NWXGTAZUQZUATB-UHFFFAOYSA-N -1 0 365.419 -0.153 20 0 FBADRM O=C([O-])NCc1nnnn1CC(=O)NCCCN1CCCCCC1=O ZINC000832738681 605178536 /nfs/dbraw/zinc/17/85/36/605178536.db2.gz NZHAOLGELIKRKT-UHFFFAOYSA-N -1 0 353.383 -0.650 20 0 FBADRM O=C([O-])NCc1nnnn1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000832738701 605178621 /nfs/dbraw/zinc/17/86/21/605178621.db2.gz OHCDIPXHYAOSTG-UHFFFAOYSA-N -1 0 363.353 -0.071 20 0 FBADRM O=C([O-])NCc1nnnn1CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000832738959 604032847 /nfs/dbraw/zinc/03/28/47/604032847.db2.gz PHIBPQYWIHALAO-UHFFFAOYSA-N -1 0 361.362 -0.084 20 0 FBADRM O=C([O-])NCc1nnnn1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000832739008 604031494 /nfs/dbraw/zinc/03/14/94/604031494.db2.gz PXMXCHVMKMBXDU-UHFFFAOYSA-N -1 0 359.346 -0.028 20 0 FBADRM O=C([O-])NCc1nnnn1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000832739060 604030553 /nfs/dbraw/zinc/03/05/53/604030553.db2.gz RBJDPXJQVIORHK-UHFFFAOYSA-N -1 0 359.390 -0.215 20 0 FBADRM O=C([O-])NCc1nnnn1CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000832739095 605174878 /nfs/dbraw/zinc/17/48/78/605174878.db2.gz RPFIEAPNGQTLFA-UHFFFAOYSA-N -1 0 362.285 -0.806 20 0 FBADRM O=C([O-])NCc1nnnn1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000832739098 605178716 /nfs/dbraw/zinc/17/87/16/605178716.db2.gz RSTCDAFSFZYBST-UHFFFAOYSA-N -1 0 359.346 -0.028 20 0 FBADRM O=C([O-])NCc1nnnn1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000832739118 604031674 /nfs/dbraw/zinc/03/16/74/604031674.db2.gz SMVFSNUVNCKIJV-UHFFFAOYSA-N -1 0 363.353 -0.071 20 0 FBADRM O=C([O-])NCc1nnnn1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000832739451 604030615 /nfs/dbraw/zinc/03/06/15/604030615.db2.gz VRGGKUOQIWGQKH-UHFFFAOYSA-N -1 0 363.290 -0.482 20 0 FBADRM O=C([O-])NCc1nnnn1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000832739475 605180286 /nfs/dbraw/zinc/18/02/86/605180286.db2.gz WCTUUFVXOYABKX-UHFFFAOYSA-N -1 0 356.346 -0.057 20 0 FBADRM O=C([O-])NCc1nnnn1CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000832739477 605174520 /nfs/dbraw/zinc/17/45/20/605174520.db2.gz WEFCWWNQFHFQCY-UHFFFAOYSA-N -1 0 364.318 -0.635 20 0 FBADRM O=C([O-])NCc1nnnn1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000832739504 605176607 /nfs/dbraw/zinc/17/66/07/605176607.db2.gz XASSKXGELIPYSR-UHFFFAOYSA-N -1 0 369.288 -0.526 20 0 FBADRM O=C([O-])NCc1nnnn1CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000832739711 605174986 /nfs/dbraw/zinc/17/49/86/605174986.db2.gz YZMOHRNOIZTCLX-UHFFFAOYSA-N -1 0 373.373 -0.116 20 0 FBADRM O=C([O-])NCc1nnnn1CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000832739753 605176974 /nfs/dbraw/zinc/17/69/74/605176974.db2.gz ZYHMKYTYZUYREF-UHFFFAOYSA-N -1 0 370.373 -0.015 20 0 FBADRM CO[N-]C(=O)CNC(=O)Cn1nc(Br)c(Br)n1 ZINC000832740479 661158147 /nfs/dbraw/zinc/15/81/47/661158147.db2.gz AWCWJDYCBNEGNO-UHFFFAOYSA-N -1 0 370.989 -0.403 20 0 FBADRM CO[N-]C(=O)CNC(=O)c1ccc(NCCN2CCOCC2)c(F)c1 ZINC000832741102 661158089 /nfs/dbraw/zinc/15/80/89/661158089.db2.gz KIDFPTIOBCYONT-UHFFFAOYSA-N -1 0 354.382 -0.023 20 0 FBADRM O=C([O-])NCc1nnnn1CCN1C(=O)c2ccccc2S1(=O)=O ZINC000832745429 605180569 /nfs/dbraw/zinc/18/05/69/605180569.db2.gz WMCMZNXAINUNMS-UHFFFAOYSA-N -1 0 352.332 -0.715 20 0 FBADRM O=C([O-])NCc1nnnn1Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000832745546 604030997 /nfs/dbraw/zinc/03/09/97/604030997.db2.gz YEQGZBZZEFUMQN-UHFFFAOYSA-N -1 0 356.364 -0.134 20 0 FBADRM O=C([O-])NCc1nnnn1Cn1nnc2c(cnn2-c2ccccc2)c1=O ZINC000832745552 605176708 /nfs/dbraw/zinc/17/67/08/605176708.db2.gz YOATUXQGOSVXSH-UHFFFAOYSA-N -1 0 368.317 -0.763 20 0 FBADRM O=C([O-])NOCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000832751479 605518199 /nfs/dbraw/zinc/51/81/99/605518199.db2.gz CTZBJIZEFSDDOF-UHFFFAOYSA-N -1 0 359.360 -0.155 20 0 FBADRM O=C([O-])NOCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000832752304 605517122 /nfs/dbraw/zinc/51/71/22/605517122.db2.gz PHNULQSRVDEWQS-UHFFFAOYSA-N -1 0 359.360 -0.155 20 0 FBADRM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000832757575 605445831 /nfs/dbraw/zinc/44/58/31/605445831.db2.gz JUUGJJOSCBEIPR-CABCVRRESA-N -1 0 351.403 -0.325 20 0 FBADRM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000832757576 605445396 /nfs/dbraw/zinc/44/53/96/605445396.db2.gz JUUGJJOSCBEIPR-GJZGRUSLSA-N -1 0 351.403 -0.325 20 0 FBADRM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCn2c(CO)nnc2C1 ZINC000832762659 603970280 /nfs/dbraw/zinc/97/02/80/603970280.db2.gz FLJXSEWTVBGWKP-KBPBESRZSA-N -1 0 361.402 -0.174 20 0 FBADRM CO[N-]C(=O)CNC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000832773422 661158283 /nfs/dbraw/zinc/15/82/83/661158283.db2.gz NJNZRIILHYHABQ-UHFFFAOYSA-N -1 0 372.175 -0.032 20 0 FBADRM CO[N-]C(=O)CNC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000832773667 661158311 /nfs/dbraw/zinc/15/83/11/661158311.db2.gz YFUDZLIXMICYKZ-NEPJUHHUSA-N -1 0 355.391 -0.238 20 0 FBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000832773668 661158121 /nfs/dbraw/zinc/15/81/21/661158121.db2.gz YFUDZLIXMICYKZ-NWDGAFQWSA-N -1 0 355.391 -0.238 20 0 FBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000832773669 661158289 /nfs/dbraw/zinc/15/82/89/661158289.db2.gz YFUDZLIXMICYKZ-RYUDHWBXSA-N -1 0 355.391 -0.238 20 0 FBADRM CO[N-]C(=O)CNC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000832773670 661158294 /nfs/dbraw/zinc/15/82/94/661158294.db2.gz YFUDZLIXMICYKZ-VXGBXAGGSA-N -1 0 355.391 -0.238 20 0 FBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc2nsnc21)C(=O)[O-] ZINC000832835889 661158792 /nfs/dbraw/zinc/15/87/92/661158792.db2.gz OIWKLGOEBCWBMT-BQBZGAKWSA-N -1 0 358.401 -0.053 20 0 FBADRM Cc1nc(=O)[nH]c(SCCNS(=O)(=O)c2cnn(C)c2)c1C(=O)[O-] ZINC000832842627 600834809 /nfs/dbraw/zinc/83/48/09/600834809.db2.gz GWJRIPXPVWCKKZ-UHFFFAOYSA-N -1 0 373.416 -0.007 20 0 FBADRM Cc1[nH]c(C(=O)CN2CCN(CCS(N)(=O)=O)CC2)c(C)c1C(=O)[O-] ZINC000832843334 601596407 /nfs/dbraw/zinc/59/64/07/601596407.db2.gz CMFCNCGIJNNENT-UHFFFAOYSA-N -1 0 372.447 -0.581 20 0 FBADRM Cc1[nH]c(C(=O)N2CCN(CCS(N)(=O)=O)CC2)c(C)c1C(=O)[O-] ZINC000832843714 600832548 /nfs/dbraw/zinc/83/25/48/600832548.db2.gz PXSJFEGQSQJEBD-UHFFFAOYSA-N -1 0 358.420 -0.624 20 0 FBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000832845853 604283561 /nfs/dbraw/zinc/28/35/61/604283561.db2.gz GYJJVVYZDWBYNC-JTQLQIEISA-N -1 0 371.415 -0.295 20 0 FBADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000832845854 604283513 /nfs/dbraw/zinc/28/35/13/604283513.db2.gz GYJJVVYZDWBYNC-SNVBAGLBSA-N -1 0 371.415 -0.295 20 0 FBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000832851963 601934897 /nfs/dbraw/zinc/93/48/97/601934897.db2.gz LLQBZBSZRKMWIU-JTQLQIEISA-N -1 0 367.383 -0.975 20 0 FBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000832851964 601934888 /nfs/dbraw/zinc/93/48/88/601934888.db2.gz LLQBZBSZRKMWIU-SNVBAGLBSA-N -1 0 367.383 -0.975 20 0 FBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@@H](O)CN1CCOCC1 ZINC000832852464 604659153 /nfs/dbraw/zinc/65/91/53/604659153.db2.gz ZNQZOVMBVIIRPE-GFCCVEGCSA-N -1 0 358.416 -0.335 20 0 FBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@H](O)CN1CCOCC1 ZINC000832852467 604658768 /nfs/dbraw/zinc/65/87/68/604658768.db2.gz ZNQZOVMBVIIRPE-LBPRGKRZSA-N -1 0 358.416 -0.335 20 0 FBADRM Cc1c(C(=O)[O-])sc2[nH]c(CN3CC[C@@H](S(N)(=O)=O)C3)nc(=O)c12 ZINC000832853355 604380488 /nfs/dbraw/zinc/38/04/88/604380488.db2.gz XGOWHWRFUZZNGH-SSDOTTSWSA-N -1 0 372.428 -0.146 20 0 FBADRM Cc1c(C(=O)[O-])sc2[nH]c(CN3CC[C@H](S(N)(=O)=O)C3)nc(=O)c12 ZINC000832853356 604380499 /nfs/dbraw/zinc/38/04/99/604380499.db2.gz XGOWHWRFUZZNGH-ZETCQYMHSA-N -1 0 372.428 -0.146 20 0 FBADRM Cc1c(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cccc1-n1cnnn1 ZINC000832855306 601481928 /nfs/dbraw/zinc/48/19/28/601481928.db2.gz ONZYFGHYFYMOTQ-HNNXBMFYSA-N -1 0 362.321 -0.066 20 0 FBADRM Cc1c(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)cccc1-n1cnnn1 ZINC000832855308 601481955 /nfs/dbraw/zinc/48/19/55/601481955.db2.gz ONZYFGHYFYMOTQ-OAHLLOKOSA-N -1 0 362.321 -0.066 20 0 FBADRM Cc1c(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)cccc1-n1cnnn1 ZINC000832856086 601492041 /nfs/dbraw/zinc/49/20/41/601492041.db2.gz SISNVWPSDNLDKZ-LLVKDONJSA-N -1 0 374.357 -0.389 20 0 FBADRM Cc1c(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cccc1-n1cnnn1 ZINC000832856087 601491973 /nfs/dbraw/zinc/49/19/73/601491973.db2.gz SISNVWPSDNLDKZ-NSHDSACASA-N -1 0 374.357 -0.389 20 0 FBADRM Cc1c(NC(=O)C(=O)NCCOCCS(C)(=O)=O)cccc1C(=O)[O-] ZINC000832857023 600909867 /nfs/dbraw/zinc/90/98/67/600909867.db2.gz FFCWFRUTBGSORF-UHFFFAOYSA-N -1 0 372.399 -0.191 20 0 FBADRM Cc1cc(C(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000832860672 601709699 /nfs/dbraw/zinc/70/96/99/601709699.db2.gz JGRZKYPOBYAYLH-UWVGGRQHSA-N -1 0 360.370 -0.267 20 0 FBADRM Cc1cc(C(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000832860673 601709763 /nfs/dbraw/zinc/70/97/63/601709763.db2.gz JGRZKYPOBYAYLH-VHSXEESVSA-N -1 0 360.370 -0.267 20 0 FBADRM Cc1cc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000832860674 601710172 /nfs/dbraw/zinc/71/01/72/601710172.db2.gz JGRZKYPOBYAYLH-ZJUUUORDSA-N -1 0 360.370 -0.267 20 0 FBADRM Cc1cc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000832860737 601714147 /nfs/dbraw/zinc/71/41/47/601714147.db2.gz MQHFERZYDRGROZ-INIZCTEOSA-N -1 0 364.333 -0.421 20 0 FBADRM Cc1cc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000832860738 601714253 /nfs/dbraw/zinc/71/42/53/601714253.db2.gz MQHFERZYDRGROZ-MRXNPFEDSA-N -1 0 364.333 -0.421 20 0 FBADRM Cc1cc(C(=O)N2CCN(S(N)(=O)=O)CC2)cc(C)c1OCC(=O)[O-] ZINC000832861612 601679525 /nfs/dbraw/zinc/67/95/25/601679525.db2.gz HHAIVUZZBQZEBE-UHFFFAOYSA-N -1 0 371.415 -0.272 20 0 FBADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000832863418 601525605 /nfs/dbraw/zinc/52/56/05/601525605.db2.gz QDEFUTOOARQFHU-JTQLQIEISA-N -1 0 360.370 -0.076 20 0 FBADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])C2CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000832863427 601525563 /nfs/dbraw/zinc/52/55/63/601525563.db2.gz QDEFUTOOARQFHU-SNVBAGLBSA-N -1 0 360.370 -0.076 20 0 FBADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCCN2C(=O)CNC2=O)c1C ZINC000832865958 601244607 /nfs/dbraw/zinc/24/46/07/601244607.db2.gz BXJNUBMVARWEQO-UHFFFAOYSA-N -1 0 355.372 -0.168 20 0 FBADRM Cc1cc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc(S(N)(=O)=O)c1C ZINC000832866223 600957201 /nfs/dbraw/zinc/95/72/01/600957201.db2.gz BCXOHSHPVCJBHD-UHFFFAOYSA-N -1 0 353.360 -0.052 20 0 FBADRM Cc1cc(C(=O)OCC(=O)N2CCNC(=O)C2)cc(C)c1OCC(=O)[O-] ZINC000832867902 601681762 /nfs/dbraw/zinc/68/17/62/601681762.db2.gz MFAKKDYJQDYWTF-UHFFFAOYSA-N -1 0 364.354 -0.118 20 0 FBADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000832868954 601934777 /nfs/dbraw/zinc/93/47/77/601934777.db2.gz CYTBNHJCUMWFAQ-LLVKDONJSA-N -1 0 367.383 -0.975 20 0 FBADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000832868956 601934811 /nfs/dbraw/zinc/93/48/11/601934811.db2.gz CYTBNHJCUMWFAQ-NSHDSACASA-N -1 0 367.383 -0.975 20 0 FBADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NC[C@@H](O)CN1CCOCC1 ZINC000832868961 604659094 /nfs/dbraw/zinc/65/90/94/604659094.db2.gz DJIRAVDQVQTUPA-CYBMUJFWSA-N -1 0 358.416 -0.335 20 0 FBADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NC[C@H](O)CN1CCOCC1 ZINC000832868962 604658697 /nfs/dbraw/zinc/65/86/97/604658697.db2.gz DJIRAVDQVQTUPA-ZDUSSCGKSA-N -1 0 358.416 -0.335 20 0 FBADRM Cc1cc(C(=O)OCCc2cn(CC(=O)[O-])nn2)ccc1S(N)(=O)=O ZINC000832870140 604839021 /nfs/dbraw/zinc/83/90/21/604839021.db2.gz YWAJXCYGCBQGBB-UHFFFAOYSA-N -1 0 368.371 -0.282 20 0 FBADRM Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)N(C)CCC(=O)[O-])CCO2)n1 ZINC000832880108 601261065 /nfs/dbraw/zinc/26/10/65/601261065.db2.gz BYCFMSQVIKHBRC-CYBMUJFWSA-N -1 0 360.436 -0.148 20 0 FBADRM Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)N(C)CCC(=O)[O-])CCO2)n1 ZINC000832880110 601261118 /nfs/dbraw/zinc/26/11/18/601261118.db2.gz BYCFMSQVIKHBRC-ZDUSSCGKSA-N -1 0 360.436 -0.148 20 0 FBADRM Cc1cc(C)n(-c2nnc(SCCc3cn(CC(=O)[O-])nn3)n2N)n1 ZINC000832880249 604785768 /nfs/dbraw/zinc/78/57/68/604785768.db2.gz PVGWGAWXLYQXII-UHFFFAOYSA-N -1 0 363.407 -0.195 20 0 FBADRM Cc1cc(CN2CCN(S(=O)(=O)c3cnn(CC(=O)[O-])c3)CC2)no1 ZINC000832883290 600696020 /nfs/dbraw/zinc/69/60/20/600696020.db2.gz RZWCEEBHHBDNAQ-UHFFFAOYSA-N -1 0 369.403 -0.229 20 0 FBADRM Cc1cc(N2CC[C@H](NC(=O)N3CCO[C@H](CC(=O)[O-])C3)C2=O)n(C)n1 ZINC000832888394 601779278 /nfs/dbraw/zinc/77/92/78/601779278.db2.gz HBNCZUPKNARDEU-NEPJUHHUSA-N -1 0 365.390 -0.281 20 0 FBADRM Cc1cc(N2CC[C@@H](NC(=O)N3CCO[C@@H](CC(=O)[O-])C3)C2=O)n(C)n1 ZINC000832888396 601779506 /nfs/dbraw/zinc/77/95/06/601779506.db2.gz HBNCZUPKNARDEU-NWDGAFQWSA-N -1 0 365.390 -0.281 20 0 FBADRM Cc1cc(N2CC[C@H](NC(=O)N3CCO[C@@H](CC(=O)[O-])C3)C2=O)n(C)n1 ZINC000832888397 601779321 /nfs/dbraw/zinc/77/93/21/601779321.db2.gz HBNCZUPKNARDEU-RYUDHWBXSA-N -1 0 365.390 -0.281 20 0 FBADRM Cc1cc(N2CC[C@@H](NC(=O)N3CCO[C@H](CC(=O)[O-])C3)C2=O)n(C)n1 ZINC000832888399 601779405 /nfs/dbraw/zinc/77/94/05/601779405.db2.gz HBNCZUPKNARDEU-VXGBXAGGSA-N -1 0 365.390 -0.281 20 0 FBADRM Cc1cc(N(C)CCN2CCCS2(=O)=O)n2nc(C(=O)[O-])nc2n1 ZINC000832888866 601379122 /nfs/dbraw/zinc/37/91/22/601379122.db2.gz MLZJLIPPWRLXQQ-UHFFFAOYSA-N -1 0 354.392 -0.397 20 0 FBADRM Cc1cc(N2CC[C@H](NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)C2=O)n(C)n1 ZINC000832889409 600787286 /nfs/dbraw/zinc/78/72/86/600787286.db2.gz MOVWGKUFLWMRFW-JTQLQIEISA-N -1 0 367.387 -0.161 20 0 FBADRM Cc1cc(N2CC[C@@H](NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)C2=O)n(C)n1 ZINC000832889410 600787249 /nfs/dbraw/zinc/78/72/49/600787249.db2.gz MOVWGKUFLWMRFW-SNVBAGLBSA-N -1 0 367.387 -0.161 20 0 FBADRM Cc1cc(N(C)C[C@@H](O)CN2CCOCC2)n2nc(C(=O)[O-])nc2n1 ZINC000832889915 601254899 /nfs/dbraw/zinc/25/48/99/601254899.db2.gz VXCOHUQQTRDKSI-LLVKDONJSA-N -1 0 350.379 -0.740 20 0 FBADRM Cc1cc(N(C)C[C@H](O)CN2CCOCC2)n2nc(C(=O)[O-])nc2n1 ZINC000832889917 601254885 /nfs/dbraw/zinc/25/48/85/601254885.db2.gz VXCOHUQQTRDKSI-NSHDSACASA-N -1 0 350.379 -0.740 20 0 FBADRM Cc1cc(N2CCC[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C2=O)n(C)n1 ZINC000832889993 601264923 /nfs/dbraw/zinc/26/49/23/601264923.db2.gz CKYPRXIAJLURLH-LLVKDONJSA-N -1 0 373.435 -0.535 20 0 FBADRM Cc1cc(N2CCC[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])C2=O)n(C)n1 ZINC000832889994 601264819 /nfs/dbraw/zinc/26/48/19/601264819.db2.gz CKYPRXIAJLURLH-NSHDSACASA-N -1 0 373.435 -0.535 20 0 FBADRM Cc1cc(N2CC[C@H](NC(=O)Nc3ccn(CC(=O)[O-])n3)C2=O)n(C)n1 ZINC000832890663 601059509 /nfs/dbraw/zinc/05/95/09/601059509.db2.gz VPEYZLNRBRFSQC-JTQLQIEISA-N -1 0 361.362 -0.063 20 0 FBADRM Cc1cc(N2CCN(c3nc(N)ns3)CC2)n2nc(C(=O)[O-])nc2n1 ZINC000832890666 601896377 /nfs/dbraw/zinc/89/63/77/601896377.db2.gz AAZRGJSCNPBKDO-UHFFFAOYSA-N -1 0 361.391 -0.109 20 0 FBADRM Cc1cc(N2CC[C@@H](NC(=O)Nc3ccn(CC(=O)[O-])n3)C2=O)n(C)n1 ZINC000832890683 601059406 /nfs/dbraw/zinc/05/94/06/601059406.db2.gz VPEYZLNRBRFSQC-SNVBAGLBSA-N -1 0 361.362 -0.063 20 0 FBADRM Cc1cc(N2CC[C@H](NC(=O)NCCSCC(=O)[O-])C2=O)n(C)n1 ZINC000832890805 600770539 /nfs/dbraw/zinc/77/05/39/600770539.db2.gz XDHQLOCJJDSXDX-JTQLQIEISA-N -1 0 355.420 -0.049 20 0 FBADRM Cc1cc(N2CC[C@@H](NC(=O)NCCSCC(=O)[O-])C2=O)n(C)n1 ZINC000832890809 600770489 /nfs/dbraw/zinc/77/04/89/600770489.db2.gz XDHQLOCJJDSXDX-SNVBAGLBSA-N -1 0 355.420 -0.049 20 0 FBADRM Cc1cc(N2CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC2)n2ncnc2n1 ZINC000832890827 601774822 /nfs/dbraw/zinc/77/48/22/601774822.db2.gz DDHYOQPENRTZKA-JTQLQIEISA-N -1 0 368.419 -0.395 20 0 FBADRM Cc1cc(N2CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC2)n2ncnc2n1 ZINC000832890829 601774756 /nfs/dbraw/zinc/77/47/56/601774756.db2.gz DDHYOQPENRTZKA-SNVBAGLBSA-N -1 0 368.419 -0.395 20 0 FBADRM Cc1cc(N2CC[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])C2=O)n(C)n1 ZINC000832890903 601263915 /nfs/dbraw/zinc/26/39/15/601263915.db2.gz ZJLWFNMPIGRFFI-JTQLQIEISA-N -1 0 359.408 -0.925 20 0 FBADRM Cc1cc(N2CC[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C2=O)n(C)n1 ZINC000832890904 601264043 /nfs/dbraw/zinc/26/40/43/601264043.db2.gz ZJLWFNMPIGRFFI-SNVBAGLBSA-N -1 0 359.408 -0.925 20 0 FBADRM Cc1cc(N2CCN(c3nccn(C)c3=O)CC2)n2nc(C(=O)[O-])nc2n1 ZINC000832891086 600804143 /nfs/dbraw/zinc/80/41/43/600804143.db2.gz KHZQCCMADAOBQH-UHFFFAOYSA-N -1 0 370.373 -0.449 20 0 FBADRM Cc1cc(N2CCN(CC[S@](C)=O)CC2)n2nc(C(=O)[O-])nc2n1 ZINC000832891117 604800751 /nfs/dbraw/zinc/80/07/51/604800751.db2.gz MMLKGEDIKVNBGI-DEOSSOPVSA-N -1 0 352.420 -0.369 20 0 FBADRM Cc1cc(N2CCN(CC[S@@](C)=O)CC2)n2nc(C(=O)[O-])nc2n1 ZINC000832891118 604800496 /nfs/dbraw/zinc/80/04/96/604800496.db2.gz MMLKGEDIKVNBGI-XMMPIXPASA-N -1 0 352.420 -0.369 20 0 FBADRM Cc1cc(N2CCC[C@@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])C2=O)n(C)n1 ZINC000832891134 601797223 /nfs/dbraw/zinc/79/72/23/601797223.db2.gz LOIPHBGYGJDVHM-GXSJLCMTSA-N -1 0 358.420 -0.136 20 0 FBADRM Cc1cc(N2CCC[C@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C2=O)n(C)n1 ZINC000832891135 601797259 /nfs/dbraw/zinc/79/72/59/601797259.db2.gz LOIPHBGYGJDVHM-KOLCDFICSA-N -1 0 358.420 -0.136 20 0 FBADRM Cc1cc(N2CCC[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C2=O)n(C)n1 ZINC000832891136 601797195 /nfs/dbraw/zinc/79/71/95/601797195.db2.gz LOIPHBGYGJDVHM-MWLCHTKSSA-N -1 0 358.420 -0.136 20 0 FBADRM Cc1cc(N2CCC[C@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])C2=O)n(C)n1 ZINC000832891137 601797237 /nfs/dbraw/zinc/79/72/37/601797237.db2.gz LOIPHBGYGJDVHM-ONGXEEELSA-N -1 0 358.420 -0.136 20 0 FBADRM Cc1cc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n2nc(C(=O)[O-])nc2n1 ZINC000832891170 601248492 /nfs/dbraw/zinc/24/84/92/601248492.db2.gz MPEGWOUKLWLCCK-JTQLQIEISA-N -1 0 368.419 -0.103 20 0 FBADRM Cc1cc(N2CCC[C@H](CNS(C)(=O)=O)C2)n2nc(C(=O)[O-])nc2n1 ZINC000832891171 601248484 /nfs/dbraw/zinc/24/84/84/601248484.db2.gz MPEGWOUKLWLCCK-SNVBAGLBSA-N -1 0 368.419 -0.103 20 0 FBADRM Cc1cc(N2CCN(C(=O)Cn3cc(C(=O)[O-])nn3)CC2)n2ncnc2n1 ZINC000832891356 601199186 /nfs/dbraw/zinc/19/91/86/601199186.db2.gz RLTXMRFRKRTZNK-UHFFFAOYSA-N -1 0 371.361 -0.929 20 0 FBADRM Cc1cc(N2CCC[C@H](NC(=O)Cn3cc(C(=O)[O-])nn3)C2=O)n(C)n1 ZINC000832891484 601291465 /nfs/dbraw/zinc/29/14/65/601291465.db2.gz SOLVINYQTFVVFQ-JTQLQIEISA-N -1 0 361.362 -0.670 20 0 FBADRM Cc1cc(N2CCC[C@@H](NC(=O)Cn3cc(C(=O)[O-])nn3)C2=O)n(C)n1 ZINC000832891486 601291202 /nfs/dbraw/zinc/29/12/02/601291202.db2.gz SOLVINYQTFVVFQ-SNVBAGLBSA-N -1 0 361.362 -0.670 20 0 FBADRM Cc1cc(N2CCN(c3cnn(C)c3)C(=O)C2)n2nc(C(=O)[O-])nc2n1 ZINC000832891513 601410610 /nfs/dbraw/zinc/41/06/10/601410610.db2.gz WEWHEQWBCBZUBH-UHFFFAOYSA-N -1 0 356.346 -0.282 20 0 FBADRM Cc1cc(N2CCC[C@@H](CS(N)(=O)=O)C2)n2nc(C(=O)[O-])nc2n1 ZINC000832891745 600802845 /nfs/dbraw/zinc/80/28/45/600802845.db2.gz YHZUIAYWRHXTKQ-SECBINFHSA-N -1 0 354.392 -0.364 20 0 FBADRM Cc1cc(N2CCC[C@H](CS(N)(=O)=O)C2)n2nc(C(=O)[O-])nc2n1 ZINC000832891746 600802807 /nfs/dbraw/zinc/80/28/07/600802807.db2.gz YHZUIAYWRHXTKQ-VIFPVBQESA-N -1 0 354.392 -0.364 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c(=O)n(C)c1 ZINC000832891996 604413908 /nfs/dbraw/zinc/41/39/08/604413908.db2.gz QLJHNRYRLLLVNF-GFCCVEGCSA-N -1 0 364.402 -0.360 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(=O)n(C)c1 ZINC000832891997 604413761 /nfs/dbraw/zinc/41/37/61/604413761.db2.gz QLJHNRYRLLLVNF-LBPRGKRZSA-N -1 0 364.402 -0.360 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)ccc1-n1cnnn1 ZINC000832892099 601483017 /nfs/dbraw/zinc/48/30/17/601483017.db2.gz YCFDPOBVEBUKPX-HNNXBMFYSA-N -1 0 362.321 -0.066 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)ccc1-n1cnnn1 ZINC000832892100 601482958 /nfs/dbraw/zinc/48/29/58/601482958.db2.gz YCFDPOBVEBUKPX-OAHLLOKOSA-N -1 0 362.321 -0.066 20 0 FBADRM Cc1cc(NC(=O)C(=O)NCCOCCS(C)(=O)=O)ccc1C(=O)[O-] ZINC000832892194 600909963 /nfs/dbraw/zinc/90/99/63/600909963.db2.gz JJQFKZZZXBCVCP-UHFFFAOYSA-N -1 0 372.399 -0.191 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)ccc1-n1cnnn1 ZINC000832892229 601494166 /nfs/dbraw/zinc/49/41/66/601494166.db2.gz MAPIZDJUQSEFRJ-GFCCVEGCSA-N -1 0 374.357 -0.389 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)ccc1-n1cnnn1 ZINC000832892230 601494251 /nfs/dbraw/zinc/49/42/51/601494251.db2.gz MAPIZDJUQSEFRJ-LBPRGKRZSA-N -1 0 374.357 -0.389 20 0 FBADRM Cc1cc(NC(=O)CN2CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC2)no1 ZINC000832893304 601274219 /nfs/dbraw/zinc/27/42/19/601274219.db2.gz TXCBDYRENPGFJJ-JTQLQIEISA-N -1 0 374.419 -0.410 20 0 FBADRM Cc1cc(NC(=O)CN2CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC2)no1 ZINC000832893308 601274130 /nfs/dbraw/zinc/27/41/30/601274130.db2.gz TXCBDYRENPGFJJ-SNVBAGLBSA-N -1 0 374.419 -0.410 20 0 FBADRM Cc1cc(O)cc(=O)n1CC(=O)OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000832898089 601792129 /nfs/dbraw/zinc/79/21/29/601792129.db2.gz COAPTINLSJYVSA-UHFFFAOYSA-N -1 0 352.343 -0.271 20 0 FBADRM Cc1cc(O)cc(=O)n1[C@@H](C)C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000832898116 604841316 /nfs/dbraw/zinc/84/13/16/604841316.db2.gz CZJQSLHXEDPYRZ-JTQLQIEISA-N -1 0 350.331 -0.115 20 0 FBADRM Cc1cc(O)cc(=O)n1[C@H](C)C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000832898119 604841040 /nfs/dbraw/zinc/84/10/40/604841040.db2.gz CZJQSLHXEDPYRZ-SNVBAGLBSA-N -1 0 350.331 -0.115 20 0 FBADRM Cc1cc(O)cc(=O)n1CC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000832900202 601955849 /nfs/dbraw/zinc/95/58/49/601955849.db2.gz SKWJKXYJLJLOCW-UHFFFAOYSA-N -1 0 353.375 -0.892 20 0 FBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N1CCO[C@@H](CO)C1 ZINC000832900390 601456062 /nfs/dbraw/zinc/45/60/62/601456062.db2.gz AUHCWJIWBWXGBZ-GFCCVEGCSA-N -1 0 352.343 -0.383 20 0 FBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N1CCO[C@H](CO)C1 ZINC000832900391 601456135 /nfs/dbraw/zinc/45/61/35/601456135.db2.gz AUHCWJIWBWXGBZ-LBPRGKRZSA-N -1 0 352.343 -0.383 20 0 FBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000832900580 601483280 /nfs/dbraw/zinc/48/32/80/601483280.db2.gz FGQVDXMVXFHIAL-PHIMTYICSA-N -1 0 352.343 -0.649 20 0 FBADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N[C@H](C)C(=O)N(C)C ZINC000832902290 601496927 /nfs/dbraw/zinc/49/69/27/601496927.db2.gz MTYCHCCIYBSWKI-SNVBAGLBSA-N -1 0 351.359 -0.010 20 0 FBADRM Cc1cc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)ccc1C(=O)[O-] ZINC000832902936 604359703 /nfs/dbraw/zinc/35/97/03/604359703.db2.gz KAYUPGMWINVAFO-JTQLQIEISA-N -1 0 367.383 -0.975 20 0 FBADRM Cc1cc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)ccc1C(=O)[O-] ZINC000832902938 604359685 /nfs/dbraw/zinc/35/96/85/604359685.db2.gz KAYUPGMWINVAFO-SNVBAGLBSA-N -1 0 367.383 -0.975 20 0 FBADRM Cc1cc(S(=O)(=O)NCCCN2C(=O)CNC2=O)ccc1C(=O)[O-] ZINC000832903270 600742891 /nfs/dbraw/zinc/74/28/91/600742891.db2.gz AQZVSJPDKWVSGM-UHFFFAOYSA-N -1 0 355.372 -0.087 20 0 FBADRM Cc1cc(S(N)(=O)=O)cc(NC(=O)Cn2cc(C(=O)[O-])nn2)c1C ZINC000832905283 601272848 /nfs/dbraw/zinc/27/28/48/601272848.db2.gz WTWGEICSBOUMNO-UHFFFAOYSA-N -1 0 353.360 -0.121 20 0 FBADRM Cc1cc(S(N)(=O)=O)sc1C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000832905382 604837108 /nfs/dbraw/zinc/83/71/08/604837108.db2.gz ZZWAAVQTFCGTOL-UHFFFAOYSA-N -1 0 374.400 -0.220 20 0 FBADRM Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1S(N)(=O)=O ZINC000832911582 600887198 /nfs/dbraw/zinc/88/71/98/600887198.db2.gz XTVKMRWSLCGCGI-JTQLQIEISA-N -1 0 355.372 -0.942 20 0 FBADRM Cc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1S(N)(=O)=O ZINC000832911586 600887152 /nfs/dbraw/zinc/88/71/52/600887152.db2.gz XTVKMRWSLCGCGI-SNVBAGLBSA-N -1 0 355.372 -0.942 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NCCOCCS(C)(=O)=O ZINC000832914582 600910026 /nfs/dbraw/zinc/91/00/26/600910026.db2.gz GCOBMSURELYTFH-UHFFFAOYSA-N -1 0 372.399 -0.191 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000832915831 601133297 /nfs/dbraw/zinc/13/32/97/601133297.db2.gz HAQHXXNSYVBDOD-GFCCVEGCSA-N -1 0 360.370 -0.726 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000832915836 601133430 /nfs/dbraw/zinc/13/34/30/601133430.db2.gz HAQHXXNSYVBDOD-LBPRGKRZSA-N -1 0 360.370 -0.726 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)COC(=O)c1cn(CC(N)=O)nn1 ZINC000832916349 600712448 /nfs/dbraw/zinc/71/24/48/600712448.db2.gz KXDVZLYHAKQTQR-UHFFFAOYSA-N -1 0 361.314 -0.434 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000832916551 604351627 /nfs/dbraw/zinc/35/16/27/604351627.db2.gz LZFVOBBSCIAXGC-AAEUAGOBSA-N -1 0 374.397 -0.337 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000832916552 604351679 /nfs/dbraw/zinc/35/16/79/604351679.db2.gz LZFVOBBSCIAXGC-DGCLKSJQSA-N -1 0 374.397 -0.337 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000832916553 604351846 /nfs/dbraw/zinc/35/18/46/604351846.db2.gz LZFVOBBSCIAXGC-WCQYABFASA-N -1 0 374.397 -0.337 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000832916554 604351972 /nfs/dbraw/zinc/35/19/72/604351972.db2.gz LZFVOBBSCIAXGC-YPMHNXCESA-N -1 0 374.397 -0.337 20 0 FBADRM Cc1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)cc1S(N)(=O)=O ZINC000832918800 604835535 /nfs/dbraw/zinc/83/55/35/604835535.db2.gz RQEWYEWHYCKKPD-UHFFFAOYSA-N -1 0 368.371 -0.282 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000832919359 601934794 /nfs/dbraw/zinc/93/47/94/601934794.db2.gz FRXTYYMAHSBJBF-LLVKDONJSA-N -1 0 367.383 -0.975 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000832919360 601934923 /nfs/dbraw/zinc/93/49/23/601934923.db2.gz FRXTYYMAHSBJBF-NSHDSACASA-N -1 0 367.383 -0.975 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)cc1C(=O)[O-] ZINC000832937179 601159322 /nfs/dbraw/zinc/15/93/22/601159322.db2.gz FSSDCRMEGCJWPC-UHFFFAOYSA-N -1 0 369.399 -0.264 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1-n1cnnn1 ZINC000832937368 601491941 /nfs/dbraw/zinc/49/19/41/601491941.db2.gz MLDXCVFZIJXVIY-GFCCVEGCSA-N -1 0 374.357 -0.389 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1-n1cnnn1 ZINC000832937369 601491925 /nfs/dbraw/zinc/49/19/25/601491925.db2.gz MLDXCVFZIJXVIY-LBPRGKRZSA-N -1 0 374.357 -0.389 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000832937797 601166312 /nfs/dbraw/zinc/16/63/12/601166312.db2.gz CYSGDNNEHVPRIE-LLVKDONJSA-N -1 0 369.399 -0.218 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000832937967 601166017 /nfs/dbraw/zinc/16/60/17/601166017.db2.gz CYSGDNNEHVPRIE-NSHDSACASA-N -1 0 369.399 -0.218 20 0 FBADRM Cc1ccc(N2CCC[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C2)nn1 ZINC000832939007 601262927 /nfs/dbraw/zinc/26/29/27/601262927.db2.gz KXSMBDQHFKTHOR-GFCCVEGCSA-N -1 0 357.436 -0.005 20 0 FBADRM Cc1ccc(N2CCC[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])C2)nn1 ZINC000832939010 601262889 /nfs/dbraw/zinc/26/28/89/601262889.db2.gz KXSMBDQHFKTHOR-LBPRGKRZSA-N -1 0 357.436 -0.005 20 0 FBADRM Cc1ccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)cc1C(=O)[O-] ZINC000832939076 601163571 /nfs/dbraw/zinc/16/35/71/601163571.db2.gz RFELGYDAAGBSLF-UHFFFAOYSA-N -1 0 369.399 -0.217 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000832939546 601481960 /nfs/dbraw/zinc/48/19/60/601481960.db2.gz ROBADSJPBFPXQA-AWEZNQCLSA-N -1 0 373.362 -0.394 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000832939553 601481978 /nfs/dbraw/zinc/48/19/78/601481978.db2.gz ROBADSJPBFPXQA-CQSZACIVSA-N -1 0 373.362 -0.394 20 0 FBADRM Cc1ccc(NC(=O)C(=O)NCCOCCS(C)(=O)=O)cc1C(=O)[O-] ZINC000832939761 601168388 /nfs/dbraw/zinc/16/83/88/601168388.db2.gz ZSKSYTRGCRAVRB-UHFFFAOYSA-N -1 0 372.399 -0.191 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1-n1cnnn1 ZINC000832940166 601481935 /nfs/dbraw/zinc/48/19/35/601481935.db2.gz WDLCCCCEEPBKCW-HNNXBMFYSA-N -1 0 362.321 -0.066 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1-n1cnnn1 ZINC000832940168 601481931 /nfs/dbraw/zinc/48/19/31/601481931.db2.gz WDLCCCCEEPBKCW-OAHLLOKOSA-N -1 0 362.321 -0.066 20 0 FBADRM Cc1ccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)cc1C(=O)[O-] ZINC000832940225 601158750 /nfs/dbraw/zinc/15/87/50/601158750.db2.gz MRHTYTDSSYDQPS-UHFFFAOYSA-N -1 0 357.388 -0.313 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000832940263 602043112 /nfs/dbraw/zinc/04/31/12/602043112.db2.gz XDAOYJYFUJVGTJ-HNNXBMFYSA-N -1 0 369.399 -0.096 20 0 FBADRM Cc1ccc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000832940272 602043416 /nfs/dbraw/zinc/04/34/16/602043416.db2.gz XDAOYJYFUJVGTJ-OAHLLOKOSA-N -1 0 369.399 -0.096 20 0 FBADRM Cc1ccc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)cc1C(=O)[O-] ZINC000832940385 601165800 /nfs/dbraw/zinc/16/58/00/601165800.db2.gz OJFOJJZYMBBKLL-UHFFFAOYSA-N -1 0 362.342 -0.310 20 0 FBADRM Cc1ccc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)cc1C(=O)[O-] ZINC000832940929 601157918 /nfs/dbraw/zinc/15/79/18/601157918.db2.gz SKSXNTLWIUQTJQ-UHFFFAOYSA-N -1 0 363.370 -0.003 20 0 FBADRM Cc1ccc(NC(=O)C(=O)NCC(C)(C)C(=O)[O-])cc1S(N)(=O)=O ZINC000832941801 601765253 /nfs/dbraw/zinc/76/52/53/601765253.db2.gz ZJICXCBHOVHOQT-UHFFFAOYSA-N -1 0 357.388 -0.192 20 0 FBADRM Cc1ccc(NC(=O)CN2CCO[C@H](CC(=O)[O-])C2)cc1S(N)(=O)=O ZINC000832943621 601572511 /nfs/dbraw/zinc/57/25/11/601572511.db2.gz JTRJTAXNJVUUKF-GFCCVEGCSA-N -1 0 371.415 -0.244 20 0 FBADRM Cc1ccc(NC(=O)CN2CCO[C@@H](CC(=O)[O-])C2)cc1S(N)(=O)=O ZINC000832943624 601572697 /nfs/dbraw/zinc/57/26/97/601572697.db2.gz JTRJTAXNJVUUKF-LBPRGKRZSA-N -1 0 371.415 -0.244 20 0 FBADRM Cc1ccc(NC(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])cc1S(N)(=O)=O ZINC000832943820 604762785 /nfs/dbraw/zinc/76/27/85/604762785.db2.gz NXJHTJHVJVPAQJ-MNOVXSKESA-N -1 0 357.388 -0.899 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1C(=O)[O-] ZINC000832954435 604359663 /nfs/dbraw/zinc/35/96/63/604359663.db2.gz DYWBMOWADLIMHN-JTQLQIEISA-N -1 0 367.383 -0.975 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1C(=O)[O-] ZINC000832954438 604359439 /nfs/dbraw/zinc/35/94/39/604359439.db2.gz DYWBMOWADLIMHN-SNVBAGLBSA-N -1 0 367.383 -0.975 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)C[C@@H](C)C(=O)[O-])s1 ZINC000832955440 604514416 /nfs/dbraw/zinc/51/44/16/604514416.db2.gz BPSZDJPBHZNJAB-MRVPVSSYSA-N -1 0 370.474 -0.025 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)C[C@H](C)C(=O)[O-])s1 ZINC000832955441 604514436 /nfs/dbraw/zinc/51/44/36/604514436.db2.gz BPSZDJPBHZNJAB-QMMMGPOBSA-N -1 0 370.474 -0.025 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCN(C)CC(=O)NCCC(=O)[O-])cc1 ZINC000832955482 661158796 /nfs/dbraw/zinc/15/87/96/661158796.db2.gz DERYXQVOFYDKSM-UHFFFAOYSA-N -1 0 357.432 -0.204 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNC(=O)Cn2cc(C(=O)[O-])nn2)s1 ZINC000832955495 604749043 /nfs/dbraw/zinc/74/90/43/604749043.db2.gz DYLRRLRTVZQSDJ-UHFFFAOYSA-N -1 0 373.416 -0.559 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)C[C@@H](C)C(=O)[O-])cc1 ZINC000832955634 601773859 /nfs/dbraw/zinc/77/38/59/601773859.db2.gz HCSWQYFIJATWAQ-LLVKDONJSA-N -1 0 364.445 -0.087 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)C[C@H](C)C(=O)[O-])cc1 ZINC000832955635 601773812 /nfs/dbraw/zinc/77/38/12/601773812.db2.gz HCSWQYFIJATWAQ-NSHDSACASA-N -1 0 364.445 -0.087 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC000832955745 601214732 /nfs/dbraw/zinc/21/47/32/601214732.db2.gz VURDNUCZUMYNEL-OLZOCXBDSA-N -1 0 356.400 -0.290 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCN(C)[C@H](C)C(=O)NCC(=O)[O-])cc1 ZINC000832956029 601039137 /nfs/dbraw/zinc/03/91/37/601039137.db2.gz WKOGZUXKPQFUCH-GFCCVEGCSA-N -1 0 357.432 -0.206 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCN(C)[C@@H](C)C(=O)NCC(=O)[O-])cc1 ZINC000832956063 601039183 /nfs/dbraw/zinc/03/91/83/601039183.db2.gz WKOGZUXKPQFUCH-LBPRGKRZSA-N -1 0 357.432 -0.206 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCCN2C(=O)CNC2=O)cc1C(=O)[O-] ZINC000832956100 600781236 /nfs/dbraw/zinc/78/12/36/600781236.db2.gz XSHKUZRGIBZNFW-UHFFFAOYSA-N -1 0 355.372 -0.087 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000832956396 601980083 /nfs/dbraw/zinc/98/00/83/601980083.db2.gz DVVDBQIRAYKWOS-NXEZZACHSA-N -1 0 356.356 -0.155 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000832956397 601980308 /nfs/dbraw/zinc/98/03/08/601980308.db2.gz DVVDBQIRAYKWOS-UWVGGRQHSA-N -1 0 356.356 -0.155 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000832956398 601980132 /nfs/dbraw/zinc/98/01/32/601980132.db2.gz DVVDBQIRAYKWOS-VHSXEESVSA-N -1 0 356.356 -0.155 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000832956399 601980347 /nfs/dbraw/zinc/98/03/47/601980347.db2.gz DVVDBQIRAYKWOS-ZJUUUORDSA-N -1 0 356.356 -0.155 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000832956425 604834352 /nfs/dbraw/zinc/83/43/52/604834352.db2.gz GOGZFLKGQVYBQO-UHFFFAOYSA-N -1 0 368.371 -0.282 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000832956595 601862528 /nfs/dbraw/zinc/86/25/28/601862528.db2.gz KSQAMHPHXZTITC-SKDRFNHKSA-N -1 0 357.388 -0.899 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCO[C@H](CC(=O)[O-])C1 ZINC000832956604 601870322 /nfs/dbraw/zinc/87/03/22/601870322.db2.gz LGJWSJWAYOYQCE-LLVKDONJSA-N -1 0 371.415 -0.244 20 0 FBADRM Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCO[C@@H](CC(=O)[O-])C1 ZINC000832956605 601870350 /nfs/dbraw/zinc/87/03/50/601870350.db2.gz LGJWSJWAYOYQCE-NSHDSACASA-N -1 0 371.415 -0.244 20 0 FBADRM Cc1cccc(C(=O)NCCNS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000832963380 600720360 /nfs/dbraw/zinc/72/03/60/600720360.db2.gz QRMJZJNVZNDJCY-UHFFFAOYSA-N -1 0 366.399 -0.016 20 0 FBADRM Cc1ccnc(NC(=O)CN(C)S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000832983625 600734322 /nfs/dbraw/zinc/73/43/22/600734322.db2.gz CWQYBKXCFXRMHS-UHFFFAOYSA-N -1 0 367.387 -0.070 20 0 FBADRM Cc1ccoc1C(=O)NCCCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000832984907 600755900 /nfs/dbraw/zinc/75/59/00/600755900.db2.gz OEYUUHLZHJFOFP-UHFFFAOYSA-N -1 0 370.387 -0.032 20 0 FBADRM Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3cnn(CC(=O)[O-])c3)CCO2)c1 ZINC000832988299 600746312 /nfs/dbraw/zinc/74/63/12/600746312.db2.gz VZICRMHETKKHFE-GFCCVEGCSA-N -1 0 369.403 -0.438 20 0 FBADRM Cc1cnn(C[C@H]2CN(S(=O)(=O)c3cnn(CC(=O)[O-])c3)CCO2)c1 ZINC000832988303 600746289 /nfs/dbraw/zinc/74/62/89/600746289.db2.gz VZICRMHETKKHFE-LBPRGKRZSA-N -1 0 369.403 -0.438 20 0 FBADRM Cc1[nH]nc(S(=O)(=O)N2CCO[C@H](c3cnn(C)c3)C2)c1C(=O)[O-] ZINC000832990747 601259914 /nfs/dbraw/zinc/25/99/14/601259914.db2.gz HDHZAMZWZVKCLL-JTQLQIEISA-N -1 0 355.376 -0.088 20 0 FBADRM Cc1[nH]nc(S(=O)(=O)N2CCO[C@@H](c3cnn(C)c3)C2)c1C(=O)[O-] ZINC000832990748 601259912 /nfs/dbraw/zinc/25/99/12/601259912.db2.gz HDHZAMZWZVKCLL-SNVBAGLBSA-N -1 0 355.376 -0.088 20 0 FBADRM Cc1[nH]nc(S(=O)(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c1C(=O)[O-] ZINC000832991015 601441076 /nfs/dbraw/zinc/44/10/76/601441076.db2.gz JITPLDLTAXXMRN-UHFFFAOYSA-N -1 0 368.375 -0.813 20 0 FBADRM Cc1nnc([C@H]2CN(S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)CCO2)[nH]1 ZINC000832991090 600788830 /nfs/dbraw/zinc/78/88/30/600788830.db2.gz KGNRFDOOUQNPSN-LLVKDONJSA-N -1 0 355.376 -0.088 20 0 FBADRM Cc1nnc([C@@H]2CN(S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)CCO2)[nH]1 ZINC000832991092 600788672 /nfs/dbraw/zinc/78/86/72/600788672.db2.gz KGNRFDOOUQNPSN-NSHDSACASA-N -1 0 355.376 -0.088 20 0 FBADRM Cc1[nH]nc(S(=O)(=O)N2CCN(c3cnn(C)c3)CC2)c1C(=O)[O-] ZINC000832991645 600866373 /nfs/dbraw/zinc/86/63/73/600866373.db2.gz NSNXLTJGDUENJS-UHFFFAOYSA-N -1 0 354.392 -0.339 20 0 FBADRM Cc1[nH]nc(S(=O)(=O)N2CCN(C3CCOCC3)CC2)c1C(=O)[O-] ZINC000832991953 601267501 /nfs/dbraw/zinc/26/75/01/601267501.db2.gz SHUPLKPCHRVAHO-UHFFFAOYSA-N -1 0 358.420 -0.098 20 0 FBADRM Cc1[nH]nc(S(=O)(=O)N2CCN(C[C@H]3CCOC3)CC2)c1C(=O)[O-] ZINC000832992059 601580435 /nfs/dbraw/zinc/58/04/35/601580435.db2.gz WLRBDPVZBVTDGF-LLVKDONJSA-N -1 0 358.420 -0.241 20 0 FBADRM Cc1[nH]nc(S(=O)(=O)N2CCN(C[C@@H]3CCOC3)CC2)c1C(=O)[O-] ZINC000832992060 601580430 /nfs/dbraw/zinc/58/04/30/601580430.db2.gz WLRBDPVZBVTDGF-NSHDSACASA-N -1 0 358.420 -0.241 20 0 FBADRM Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000832993511 601721824 /nfs/dbraw/zinc/72/18/24/601721824.db2.gz YUYXPWHXWJVQHR-CYBMUJFWSA-N -1 0 358.354 -0.005 20 0 FBADRM Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000832993512 601721894 /nfs/dbraw/zinc/72/18/94/601721894.db2.gz YUYXPWHXWJVQHR-ZDUSSCGKSA-N -1 0 358.354 -0.005 20 0 FBADRM Cc1nc(C(=O)[O-])cn1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000832995288 601638597 /nfs/dbraw/zinc/63/85/97/601638597.db2.gz XDBLFACYFXWWFC-UHFFFAOYSA-N -1 0 365.434 -0.051 20 0 FBADRM Cc1nnc([C@H]2CCCN(S(=O)(=O)c3cnn(CC(=O)[O-])c3)C2)[nH]1 ZINC000832997295 602173054 /nfs/dbraw/zinc/17/30/54/602173054.db2.gz WEAKFMLGYJADTG-JTQLQIEISA-N -1 0 354.392 -0.037 20 0 FBADRM Cc1nnc([C@@H]2CCCN(S(=O)(=O)c3cnn(CC(=O)[O-])c3)C2)[nH]1 ZINC000832997296 602172728 /nfs/dbraw/zinc/17/27/28/602172728.db2.gz WEAKFMLGYJADTG-SNVBAGLBSA-N -1 0 354.392 -0.037 20 0 FBADRM Cc1nc(CN2CCN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)CC2)no1 ZINC000833000941 661158717 /nfs/dbraw/zinc/15/87/17/661158717.db2.gz LPGOSEXFRUZBIK-UHFFFAOYSA-N -1 0 355.376 -0.089 20 0 FBADRM Cc1nc(CN2CCN(S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)CC2)no1 ZINC000833001137 600784905 /nfs/dbraw/zinc/78/49/05/600784905.db2.gz OYSYBFRGQYJYFU-UHFFFAOYSA-N -1 0 369.403 -0.079 20 0 FBADRM Cc1nc(CN2CCCN(S(=O)(=O)N(C)CCC(=O)[O-])CC2)no1 ZINC000833001141 601263905 /nfs/dbraw/zinc/26/39/05/601263905.db2.gz PCJZPUDWTGUQDL-UHFFFAOYSA-N -1 0 361.424 -0.463 20 0 FBADRM Cc1nc(CN2CCN(S(=O)(=O)c3cnn(CC(=O)[O-])c3)CC2)no1 ZINC000833001326 661158698 /nfs/dbraw/zinc/15/86/98/661158698.db2.gz URGZAVVGNXOAKM-UHFFFAOYSA-N -1 0 370.391 -0.834 20 0 FBADRM Cc1nc(CN2CCC[C@@H](N(C)C(=O)Cn3cc(C(=O)[O-])nn3)C2)no1 ZINC000833001406 601290403 /nfs/dbraw/zinc/29/04/03/601290403.db2.gz VSBJFOPDAWFMDS-LLVKDONJSA-N -1 0 363.378 -0.209 20 0 FBADRM Cc1nc(CN2CCC[C@H](N(C)C(=O)Cn3cc(C(=O)[O-])nn3)C2)no1 ZINC000833001412 601290379 /nfs/dbraw/zinc/29/03/79/601290379.db2.gz VSBJFOPDAWFMDS-NSHDSACASA-N -1 0 363.378 -0.209 20 0 FBADRM Cc1nc(CN(C)[C@@H]2CCN(S(=O)(=O)N(C)CCC(=O)[O-])C2)no1 ZINC000833001489 601581446 /nfs/dbraw/zinc/58/14/46/601581446.db2.gz YFHCUMDDVAADLS-LLVKDONJSA-N -1 0 361.424 -0.465 20 0 FBADRM Cc1nc(CN(C)[C@H]2CCN(S(=O)(=O)N(C)CCC(=O)[O-])C2)no1 ZINC000833001492 601581660 /nfs/dbraw/zinc/58/16/60/601581660.db2.gz YFHCUMDDVAADLS-NSHDSACASA-N -1 0 361.424 -0.465 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@](F)(C(=O)[O-])C2)cn1C ZINC000833002473 601660289 /nfs/dbraw/zinc/66/02/89/601660289.db2.gz AKGCJAFFZVKXFT-CYBMUJFWSA-N -1 0 362.383 -0.578 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@@](F)(C(=O)[O-])C2)cn1C ZINC000833002476 601660373 /nfs/dbraw/zinc/66/03/73/601660373.db2.gz AKGCJAFFZVKXFT-ZDUSSCGKSA-N -1 0 362.383 -0.578 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CCO[C@H](CC(=O)[O-])C2)cn1C ZINC000833002569 601670752 /nfs/dbraw/zinc/67/07/52/601670752.db2.gz CFDYEHPROTVLKJ-LLVKDONJSA-N -1 0 374.419 -0.901 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cn1C ZINC000833002572 601670857 /nfs/dbraw/zinc/67/08/57/601670857.db2.gz CFDYEHPROTVLKJ-NSHDSACASA-N -1 0 374.419 -0.901 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)Nc2cc(C(=O)[O-])n(C)c2)cn1C ZINC000833002574 601312970 /nfs/dbraw/zinc/31/29/70/601312970.db2.gz CFMMEJTYGCVAOV-UHFFFAOYSA-N -1 0 355.376 -0.318 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NCC2(C(=O)[O-])CCCC2)cn1C ZINC000833002730 601649189 /nfs/dbraw/zinc/64/91/89/601649189.db2.gz GAUWLZBZSRCOOM-UHFFFAOYSA-N -1 0 358.420 -0.232 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cn1C ZINC000833002872 604303550 /nfs/dbraw/zinc/30/35/50/604303550.db2.gz IDILPFPDKHBFCW-MNOVXSKESA-N -1 0 356.404 -0.718 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)cn1C ZINC000833002879 604303893 /nfs/dbraw/zinc/30/38/93/604303893.db2.gz IDILPFPDKHBFCW-QWRGUYRKSA-N -1 0 356.404 -0.718 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)cn1C ZINC000833002881 604303919 /nfs/dbraw/zinc/30/39/19/604303919.db2.gz IDILPFPDKHBFCW-WDEREUQCSA-N -1 0 356.404 -0.718 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CCC[C@@H]2CC(=O)[O-])cn1C ZINC000833002918 604578308 /nfs/dbraw/zinc/57/83/08/604578308.db2.gz JELGYDGVEVBGCL-LLVKDONJSA-N -1 0 358.420 -0.137 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2CCC[C@H]2CC(=O)[O-])cn1C ZINC000833002926 604578569 /nfs/dbraw/zinc/57/85/69/604578569.db2.gz JELGYDGVEVBGCL-NSHDSACASA-N -1 0 358.420 -0.137 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N[C@H](CC(=O)[O-])C2CC2)cn1C ZINC000833003210 601539073 /nfs/dbraw/zinc/53/90/73/601539073.db2.gz NEGSHWWTIQFXJX-LLVKDONJSA-N -1 0 358.420 -0.234 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H](CC(=O)[O-])C2CC2)cn1C ZINC000833003216 601539201 /nfs/dbraw/zinc/53/92/01/601539201.db2.gz NEGSHWWTIQFXJX-NSHDSACASA-N -1 0 358.420 -0.234 20 0 FBADRM Cc1nc(NC(=O)Cn2cc(C(=O)[O-])nn2)sc1SCC(N)=O ZINC000833003302 661158809 /nfs/dbraw/zinc/15/88/09/661158809.db2.gz JNGXEKBXWIMSIB-UHFFFAOYSA-N -1 0 356.389 -0.043 20 0 FBADRM Cc1nc(NC(=O)CNS(=O)(=O)c2cnn(C)c2)sc1C(=O)[O-] ZINC000833003334 601435646 /nfs/dbraw/zinc/43/56/46/601435646.db2.gz KGSBKCGPQFPUAD-UHFFFAOYSA-N -1 0 359.389 -0.200 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N(CC(=O)[O-])C2CCCC2)cn1C ZINC000833003577 601871875 /nfs/dbraw/zinc/87/18/75/601871875.db2.gz UEXSEESDWBMBDM-UHFFFAOYSA-N -1 0 358.420 -0.137 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)cn1C ZINC000833003705 601719394 /nfs/dbraw/zinc/71/93/94/601719394.db2.gz VJOQLNMZVZEGCQ-GXSJLCMTSA-N -1 0 358.420 -0.424 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)cn1C ZINC000833003711 601719324 /nfs/dbraw/zinc/71/93/24/601719324.db2.gz VJOQLNMZVZEGCQ-KOLCDFICSA-N -1 0 358.420 -0.424 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)cn1C ZINC000833003714 601719311 /nfs/dbraw/zinc/71/93/11/601719311.db2.gz VJOQLNMZVZEGCQ-ONGXEEELSA-N -1 0 358.420 -0.424 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)CC(=O)[O-])CC2)cn1C ZINC000833003792 604303618 /nfs/dbraw/zinc/30/36/18/604303618.db2.gz WLFHXNLBZNQWMB-JTQLQIEISA-N -1 0 358.420 -0.328 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H](C)CC(=O)[O-])CC2)cn1C ZINC000833003794 604303779 /nfs/dbraw/zinc/30/37/79/604303779.db2.gz WLFHXNLBZNQWMB-SNVBAGLBSA-N -1 0 358.420 -0.328 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c2ccccn2)cn1C ZINC000833003909 600915447 /nfs/dbraw/zinc/91/54/47/600915447.db2.gz XVHLPRQAWSXWMP-CYBMUJFWSA-N -1 0 367.387 -0.656 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c2ccccn2)cn1C ZINC000833003913 600915391 /nfs/dbraw/zinc/91/53/91/600915391.db2.gz XVHLPRQAWSXWMP-ZDUSSCGKSA-N -1 0 367.387 -0.656 20 0 FBADRM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000833006150 601688633 /nfs/dbraw/zinc/68/86/33/601688633.db2.gz VPXFBHIIFLTGEK-UHFFFAOYSA-N -1 0 359.346 -0.103 20 0 FBADRM Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000833007488 601739796 /nfs/dbraw/zinc/73/97/96/601739796.db2.gz UCGIOLGSNLMGAM-LLVKDONJSA-N -1 0 362.390 -0.042 20 0 FBADRM Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000833007489 601739718 /nfs/dbraw/zinc/73/97/18/601739718.db2.gz UCGIOLGSNLMGAM-NSHDSACASA-N -1 0 362.390 -0.042 20 0 FBADRM Cc1nn(C)c(C)c1OCC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000833013591 602156195 /nfs/dbraw/zinc/15/61/95/602156195.db2.gz DQYXXJNBSNMLEM-UHFFFAOYSA-N -1 0 354.407 -0.339 20 0 FBADRM Cc1nn(C)c(C)c1CN1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000833014215 601262473 /nfs/dbraw/zinc/26/24/73/601262473.db2.gz GBXYIXODHFIMEW-UHFFFAOYSA-N -1 0 373.479 -0.194 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000833014257 601719280 /nfs/dbraw/zinc/71/92/80/601719280.db2.gz LZFGQNBXNZPILP-MKPLZMMCSA-N -1 0 372.447 -0.117 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000833014260 601719411 /nfs/dbraw/zinc/71/94/11/601719411.db2.gz LZFGQNBXNZPILP-UISBYWKRSA-N -1 0 372.447 -0.117 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000833014261 601719366 /nfs/dbraw/zinc/71/93/66/601719366.db2.gz LZFGQNBXNZPILP-XRNSZHNASA-N -1 0 372.447 -0.117 20 0 FBADRM Cc1nn(C)c(C)c1CN1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000833014533 601287084 /nfs/dbraw/zinc/28/70/84/601287084.db2.gz KOVOQHSWCQJWTL-UHFFFAOYSA-N -1 0 361.406 -0.329 20 0 FBADRM Cc1nn(C)c2ncc(NC(=O)C(=O)N3CCO[C@H](CC(=O)[O-])C3)cc12 ZINC000833015459 601492654 /nfs/dbraw/zinc/49/26/54/601492654.db2.gz CFKZXWLZLTUOBQ-LLVKDONJSA-N -1 0 361.358 -0.083 20 0 FBADRM Cc1nn(C)c2ncc(NC(=O)C(=O)N3CCO[C@@H](CC(=O)[O-])C3)cc12 ZINC000833015466 601492739 /nfs/dbraw/zinc/49/27/39/601492739.db2.gz CFKZXWLZLTUOBQ-NSHDSACASA-N -1 0 361.358 -0.083 20 0 FBADRM Cc1nn(CCO)c2ncc(C(=O)OCCc3cn(CC(=O)[O-])nn3)cc12 ZINC000833016740 604837207 /nfs/dbraw/zinc/83/72/07/604837207.db2.gz FHYIRICFQBCBND-UHFFFAOYSA-N -1 0 374.357 -0.192 20 0 FBADRM Cc1nn(CN2CCO[C@H](CC(=O)[O-])C2)c(=S)n1CC(=O)N(C)C ZINC000833016961 601374779 /nfs/dbraw/zinc/37/47/79/601374779.db2.gz PCNVZQYXGLXKMT-LLVKDONJSA-N -1 0 357.436 -0.056 20 0 FBADRM Cc1nn(CN2CCO[C@@H](CC(=O)[O-])C2)c(=S)n1CC(=O)N(C)C ZINC000833016962 601374985 /nfs/dbraw/zinc/37/49/85/601374985.db2.gz PCNVZQYXGLXKMT-NSHDSACASA-N -1 0 357.436 -0.056 20 0 FBADRM Cc1nnc(CN2CCN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)CC2)n1C ZINC000833018058 600755954 /nfs/dbraw/zinc/75/59/54/600755954.db2.gz LOCNIXVPUBYOKY-UHFFFAOYSA-N -1 0 368.419 -0.344 20 0 FBADRM Cc1nnc(CN2CCN(S(=O)(=O)CC3(CC(=O)[O-])CC3)CC2)n1C ZINC000833018091 601517902 /nfs/dbraw/zinc/51/79/02/601517902.db2.gz MAIVPSYZHYHNLB-UHFFFAOYSA-N -1 0 371.463 -0.174 20 0 FBADRM Cc1nnc(CN2CCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2)n1C ZINC000833018162 604760610 /nfs/dbraw/zinc/76/06/10/604760610.db2.gz NDDGSNOYRBMWSH-AWEZNQCLSA-N -1 0 366.466 -0.143 20 0 FBADRM Cc1nnc(CN2CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])CC2)n1C ZINC000833018163 604760680 /nfs/dbraw/zinc/76/06/80/604760680.db2.gz NDDGSNOYRBMWSH-CQSZACIVSA-N -1 0 366.466 -0.143 20 0 FBADRM Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000833018996 601492552 /nfs/dbraw/zinc/49/25/52/601492552.db2.gz CPYCVCPBVYVLGP-CYBMUJFWSA-N -1 0 374.357 -0.389 20 0 FBADRM Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000833018997 601492744 /nfs/dbraw/zinc/49/27/44/601492744.db2.gz CPYCVCPBVYVLGP-ZDUSSCGKSA-N -1 0 374.357 -0.389 20 0 FBADRM Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000833019143 601482477 /nfs/dbraw/zinc/48/24/77/601482477.db2.gz DWRQPVUHLIDHRB-HNNXBMFYSA-N -1 0 362.321 -0.066 20 0 FBADRM Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000833019146 601482490 /nfs/dbraw/zinc/48/24/90/601482490.db2.gz DWRQPVUHLIDHRB-OAHLLOKOSA-N -1 0 362.321 -0.066 20 0 FBADRM Cc1nnnn1-c1cc(N)ccc1C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000833019348 604839114 /nfs/dbraw/zinc/83/91/14/604839114.db2.gz KNLFUULOFWLGJO-UHFFFAOYSA-N -1 0 372.345 -0.371 20 0 FBADRM Cc1nnnn1-c1ccc(F)c(NC(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000833019843 602204823 /nfs/dbraw/zinc/20/48/23/602204823.db2.gz TVFJLVBLJXSFDX-MFKMUULPSA-N -1 0 364.337 -0.432 20 0 FBADRM Cc1noc([C@H](C)N2CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC2)n1 ZINC000833020679 601261056 /nfs/dbraw/zinc/26/10/56/601261056.db2.gz KPHHHFRCWKZSON-JTQLQIEISA-N -1 0 361.424 -0.292 20 0 FBADRM Cc1noc([C@@H](C)N2CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC2)n1 ZINC000833020680 601261119 /nfs/dbraw/zinc/26/11/19/601261119.db2.gz KPHHHFRCWKZSON-SNVBAGLBSA-N -1 0 361.424 -0.292 20 0 FBADRM Cc1nc(SCCC(=O)N(CCN2CCOCC2)CC(=O)[O-])n[nH]1 ZINC000833021596 600943090 /nfs/dbraw/zinc/94/30/90/600943090.db2.gz QJNCJKOBTYUKMZ-UHFFFAOYSA-N -1 0 357.436 -0.159 20 0 FBADRM Cc1nsc(N2CCN(S(=O)(=O)c3cnn(CC(=O)[O-])c3)CC2)n1 ZINC000833023748 600771665 /nfs/dbraw/zinc/77/16/65/600771665.db2.gz FQNAHOKNAMIUID-UHFFFAOYSA-N -1 0 372.432 -0.361 20 0 FBADRM Cc1nsc(N2CCCN(C(=O)Cn3cc(C(=O)[O-])nn3)CC2)n1 ZINC000833023966 601291422 /nfs/dbraw/zinc/29/14/22/601291422.db2.gz PKOJETBOEFPDID-UHFFFAOYSA-N -1 0 351.392 -0.125 20 0 FBADRM Cc1oc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1S(N)(=O)=O ZINC000833024519 601559627 /nfs/dbraw/zinc/55/96/27/601559627.db2.gz IDYHOCPMAGMBQR-SECBINFHSA-N -1 0 359.404 -0.144 20 0 FBADRM Cc1oc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1S(N)(=O)=O ZINC000833024520 601559370 /nfs/dbraw/zinc/55/93/70/601559370.db2.gz IDYHOCPMAGMBQR-VIFPVBQESA-N -1 0 359.404 -0.144 20 0 FBADRM Cc1oc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000833024643 601499940 /nfs/dbraw/zinc/49/99/40/601499940.db2.gz LNTJACVIGHQSMW-SECBINFHSA-N -1 0 373.387 -0.746 20 0 FBADRM Cc1oc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000833024644 601500021 /nfs/dbraw/zinc/50/00/21/601500021.db2.gz LNTJACVIGHQSMW-VIFPVBQESA-N -1 0 373.387 -0.746 20 0 FBADRM Cc1oc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1S(=O)(=O)N(C)C ZINC000833024691 601503289 /nfs/dbraw/zinc/50/32/89/601503289.db2.gz QPHDBVNSJSZRCY-UHFFFAOYSA-N -1 0 357.348 -0.164 20 0 FBADRM Cc1oc(CS(=O)(=O)CC(=O)N[C@H](C)C(=O)N(C)C)cc1C(=O)[O-] ZINC000833026509 601915103 /nfs/dbraw/zinc/91/51/03/601915103.db2.gz IBNCFNHUTSLNNT-MRVPVSSYSA-N -1 0 360.388 -0.206 20 0 FBADRM Cc1oc(CS(=O)(=O)CC(=O)N[C@@H](C)C(=O)N(C)C)cc1C(=O)[O-] ZINC000833026510 601914963 /nfs/dbraw/zinc/91/49/63/601914963.db2.gz IBNCFNHUTSLNNT-QMMMGPOBSA-N -1 0 360.388 -0.206 20 0 FBADRM Cc1oc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1C(=O)[O-] ZINC000833028070 601215207 /nfs/dbraw/zinc/21/52/07/601215207.db2.gz GTPYRQQZQBQXEC-UHFFFAOYSA-N -1 0 371.415 -0.129 20 0 FBADRM Cc1oc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1C(=O)[O-] ZINC000833028421 661158772 /nfs/dbraw/zinc/15/87/72/661158772.db2.gz NUMUJRPUNRVYID-UHFFFAOYSA-N -1 0 357.344 -0.351 20 0 FBADRM Cc1oc(S(=O)(=O)N2CCO[C@@H](Cn3cncn3)C2)cc1C(=O)[O-] ZINC000833028452 601222407 /nfs/dbraw/zinc/22/24/07/601222407.db2.gz PAVXLRZFAOHFQV-JTQLQIEISA-N -1 0 356.360 -0.033 20 0 FBADRM Cc1oc(S(=O)(=O)N2CCO[C@H](Cn3cncn3)C2)cc1C(=O)[O-] ZINC000833028453 601222470 /nfs/dbraw/zinc/22/24/70/601222470.db2.gz PAVXLRZFAOHFQV-SNVBAGLBSA-N -1 0 356.360 -0.033 20 0 FBADRM Cc1oc(S(=O)(=O)N2CCN(C(C)(C)C(N)=O)CC2)cc1C(=O)[O-] ZINC000833028465 601226346 /nfs/dbraw/zinc/22/63/46/601226346.db2.gz PNXSDUKDWDLDBI-UHFFFAOYSA-N -1 0 359.404 -0.144 20 0 FBADRM Cc1oc(S(=O)(=O)N2CCN(CC(=O)N(C)C)CC2)cc1C(=O)[O-] ZINC000833028533 601916861 /nfs/dbraw/zinc/91/68/61/601916861.db2.gz SITBOTREVYSTIO-UHFFFAOYSA-N -1 0 359.404 -0.319 20 0 FBADRM Cc1oc(S(=O)(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)cc1C(=O)[O-] ZINC000833028545 601222313 /nfs/dbraw/zinc/22/23/13/601222313.db2.gz SYPAMIDAYWPFQD-SECBINFHSA-N -1 0 366.417 -0.025 20 0 FBADRM Cc1oc(S(=O)(=O)N2CCC[C@H](CS(N)(=O)=O)C2)cc1C(=O)[O-] ZINC000833028546 601223099 /nfs/dbraw/zinc/22/30/99/601223099.db2.gz SYPAMIDAYWPFQD-VIFPVBQESA-N -1 0 366.417 -0.025 20 0 FBADRM Cc1oc(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)cc1C(=O)[O-] ZINC000833028589 601215549 /nfs/dbraw/zinc/21/55/49/601215549.db2.gz VTYUFIPBBCYQBN-UHFFFAOYSA-N -1 0 366.417 -0.011 20 0 FBADRM Cc1oc(S(=O)(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)cc1C(=O)[O-] ZINC000833028633 601220448 /nfs/dbraw/zinc/22/04/48/601220448.db2.gz XOEGPCRCHJVYIY-CYBMUJFWSA-N -1 0 357.344 -0.399 20 0 FBADRM Cc1oc(S(=O)(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)cc1C(=O)[O-] ZINC000833028634 601220545 /nfs/dbraw/zinc/22/05/45/601220545.db2.gz XOEGPCRCHJVYIY-ZDUSSCGKSA-N -1 0 357.344 -0.399 20 0 FBADRM Cc1oc(S(=O)(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000833028649 601216452 /nfs/dbraw/zinc/21/64/52/601216452.db2.gz YHLACYUHPUMSAE-SECBINFHSA-N -1 0 366.417 -0.011 20 0 FBADRM Cc1oc(S(=O)(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000833028650 601216507 /nfs/dbraw/zinc/21/65/07/601216507.db2.gz YHLACYUHPUMSAE-VIFPVBQESA-N -1 0 366.417 -0.011 20 0 FBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000833029577 604841193 /nfs/dbraw/zinc/84/11/93/604841193.db2.gz FKPGBEFPHFANQO-UHFFFAOYSA-N -1 0 358.332 -0.689 20 0 FBADRM Cc1oc(S(N)(=O)=O)cc1C(=O)OCc1noc(CCC(=O)[O-])n1 ZINC000833029911 601568298 /nfs/dbraw/zinc/56/82/98/601568298.db2.gz LSHIRBDYMUDGOA-UHFFFAOYSA-N -1 0 359.316 -0.007 20 0 FBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000833030285 604694708 /nfs/dbraw/zinc/69/47/08/604694708.db2.gz SVPQMGRNIVCMKT-UHFFFAOYSA-N -1 0 361.314 -0.089 20 0 FBADRM Cc1sc(NC(=O)C(=O)NCCNS(C)(=O)=O)c(C(=O)[O-])c1C ZINC000833035221 600869359 /nfs/dbraw/zinc/86/93/59/600869359.db2.gz SDMFZKWZNFREBM-UHFFFAOYSA-N -1 0 363.417 -0.333 20 0 FBADRM Cc1sc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)c(C(=O)[O-])c1C ZINC000833035882 600884315 /nfs/dbraw/zinc/88/43/15/600884315.db2.gz SBPFAJHBSJOBQU-MRVPVSSYSA-N -1 0 355.372 -0.286 20 0 FBADRM Cc1sc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)c(C(=O)[O-])c1C ZINC000833035883 600884540 /nfs/dbraw/zinc/88/45/40/600884540.db2.gz SBPFAJHBSJOBQU-QMMMGPOBSA-N -1 0 355.372 -0.286 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC3(CC(=O)[O-])CCC3)cnc21 ZINC000833037533 601444217 /nfs/dbraw/zinc/44/42/17/601444217.db2.gz DLMNCIWINNAIHK-UHFFFAOYSA-N -1 0 368.371 -0.290 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)NC3(CC(=O)[O-])CCOCC3)cnc21 ZINC000833037603 601329813 /nfs/dbraw/zinc/32/98/13/601329813.db2.gz IYTRYWJTRDVMLL-UHFFFAOYSA-N -1 0 362.342 -0.212 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H](C(=O)[O-])c3ccccn3)cnc21 ZINC000833037609 600914128 /nfs/dbraw/zinc/91/41/28/600914128.db2.gz JILHBUWBBXVFHV-LLVKDONJSA-N -1 0 355.310 -0.015 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H](C(=O)[O-])c3ccccn3)cnc21 ZINC000833037610 600914065 /nfs/dbraw/zinc/91/40/65/600914065.db2.gz JILHBUWBBXVFHV-NSHDSACASA-N -1 0 355.310 -0.015 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@](F)(C(=O)[O-])C3)cnc21 ZINC000833037627 601391389 /nfs/dbraw/zinc/39/13/89/601391389.db2.gz KUAARHUJJHXUSS-CYBMUJFWSA-N -1 0 372.334 -0.779 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@@](F)(C(=O)[O-])C3)cnc21 ZINC000833037628 601391353 /nfs/dbraw/zinc/39/13/53/601391353.db2.gz KUAARHUJJHXUSS-ZDUSSCGKSA-N -1 0 372.334 -0.779 20 0 FBADRM Cn1c2nc(Cl)n(CCc3cn(CC(=O)[O-])nn3)c2c(=O)n(C)c1=O ZINC000833037673 604780078 /nfs/dbraw/zinc/78/00/78/604780078.db2.gz NPWAKNWUQOJUMY-UHFFFAOYSA-N -1 0 367.753 -0.994 20 0 FBADRM Cn1c2ncn(CC(=O)N(CC(=O)[O-])C3CCCC3)c2c(=O)n(C)c1=O ZINC000833037783 602401231 /nfs/dbraw/zinc/40/12/31/602401231.db2.gz SIQWCLHSJYAHCG-UHFFFAOYSA-N -1 0 363.374 -0.711 20 0 FBADRM Cn1c2ncn(CCC(=O)NCC(C)(C)C(=O)[O-])c2c(=O)n(C)c1=O ZINC000833037814 601709217 /nfs/dbraw/zinc/70/92/17/601709217.db2.gz CMFGDXOHIIZSNI-UHFFFAOYSA-N -1 0 351.363 -0.949 20 0 FBADRM Cn1c2ncn(CC(=O)Nc3cncc(C(=O)[O-])c3)c2c(=O)n(C)c1=O ZINC000833037838 604426028 /nfs/dbraw/zinc/42/60/28/604426028.db2.gz DZHPITSHZOQUBO-UHFFFAOYSA-N -1 0 358.314 -0.834 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)N3CC[C@@](F)(C(=O)[O-])C3)cnc2n(C)c1=O ZINC000833037843 601692681 /nfs/dbraw/zinc/69/26/81/601692681.db2.gz FINFSNKWBQGGDN-HNNXBMFYSA-N -1 0 365.321 -0.337 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)N3CC[C@](F)(C(=O)[O-])C3)cnc2n(C)c1=O ZINC000833037844 601692662 /nfs/dbraw/zinc/69/26/62/601692662.db2.gz FINFSNKWBQGGDN-OAHLLOKOSA-N -1 0 365.321 -0.337 20 0 FBADRM Cn1c2ncn(CC(=O)NCC3(C(=O)[O-])CCCC3)c2c(=O)n(C)c1=O ZINC000833037853 601601834 /nfs/dbraw/zinc/60/18/34/601601834.db2.gz FWRGSIFXNAQTMQ-UHFFFAOYSA-N -1 0 363.374 -0.805 20 0 FBADRM Cn1c2ncn(CC(=O)Nc3ccc(C(=O)[O-])s3)c2c(=O)n(C)c1=O ZINC000833037877 600898909 /nfs/dbraw/zinc/89/89/09/600898909.db2.gz HJUCPMINGJXXTF-UHFFFAOYSA-N -1 0 363.355 -0.168 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)OCCc3cn(CC(=O)[O-])nn3)cnc21 ZINC000833037879 604835818 /nfs/dbraw/zinc/83/58/18/604835818.db2.gz TZPFBKVZUSNZJN-UHFFFAOYSA-N -1 0 374.313 -0.890 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N3CC[C@@](F)(C(=O)[O-])C3)nc2n(C)c1=O ZINC000833037993 601715164 /nfs/dbraw/zinc/71/51/64/601715164.db2.gz IDHZVYMZMOKIRE-HNNXBMFYSA-N -1 0 350.306 -0.729 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N3CC[C@](F)(C(=O)[O-])C3)nc2n(C)c1=O ZINC000833037994 601715213 /nfs/dbraw/zinc/71/52/13/601715213.db2.gz IDHZVYMZMOKIRE-OAHLLOKOSA-N -1 0 350.306 -0.729 20 0 FBADRM Cn1c(=O)c2cc(C(=O)Nc3cncc(C(=O)[O-])c3)cnc2n(C)c1=O ZINC000833037997 604906954 /nfs/dbraw/zinc/90/69/54/604906954.db2.gz IGFFYIRZGVRRFO-UHFFFAOYSA-N -1 0 355.310 -0.022 20 0 FBADRM Cn1c(C(=O)N[C@@H](C(=O)[O-])c2ccccn2)cc2c1n(C)c(=O)n(C)c2=O ZINC000833038054 600918455 /nfs/dbraw/zinc/91/84/55/600918455.db2.gz JWWJHDSSTANHTD-GFCCVEGCSA-N -1 0 371.353 -0.474 20 0 FBADRM Cn1c(C(=O)N[C@H](C(=O)[O-])c2ccccn2)cc2c1n(C)c(=O)n(C)c2=O ZINC000833038055 600918459 /nfs/dbraw/zinc/91/84/59/600918459.db2.gz JWWJHDSSTANHTD-LBPRGKRZSA-N -1 0 371.353 -0.474 20 0 FBADRM Cn1c2ncn(CCC(=O)N3CCC[C@H]3CC(=O)[O-])c2c(=O)n(C)c1=O ZINC000833038093 604570863 /nfs/dbraw/zinc/57/08/63/604570863.db2.gz LVBNMKBYKMLNEZ-JTQLQIEISA-N -1 0 363.374 -0.711 20 0 FBADRM Cn1c2ncn(CCC(=O)N3CCC[C@@H]3CC(=O)[O-])c2c(=O)n(C)c1=O ZINC000833038094 604570795 /nfs/dbraw/zinc/57/07/95/604570795.db2.gz LVBNMKBYKMLNEZ-SNVBAGLBSA-N -1 0 363.374 -0.711 20 0 FBADRM Cn1c(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000833038112 601718042 /nfs/dbraw/zinc/71/80/42/601718042.db2.gz MXRBJXTWVXWQQG-HNNXBMFYSA-N -1 0 352.322 -0.786 20 0 FBADRM Cn1c(C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000833038113 601717956 /nfs/dbraw/zinc/71/79/56/601717956.db2.gz MXRBJXTWVXWQQG-OAHLLOKOSA-N -1 0 352.322 -0.786 20 0 FBADRM Cn1c2ncn(CC(=O)Nc3cc(C(=O)[O-])cs3)c2c(=O)n(C)c1=O ZINC000833038149 602187373 /nfs/dbraw/zinc/18/73/73/602187373.db2.gz OOPBVTWUWNPKIY-UHFFFAOYSA-N -1 0 363.355 -0.168 20 0 FBADRM Cn1c(=O)c2cc(C(=O)N[C@@H](C(=O)[O-])c3ccccn3)cnc2n(C)c1=O ZINC000833038179 600908229 /nfs/dbraw/zinc/90/82/29/600908229.db2.gz PQORWYJFMQMIAG-GFCCVEGCSA-N -1 0 369.337 -0.417 20 0 FBADRM Cn1c(=O)c2cc(C(=O)N[C@H](C(=O)[O-])c3ccccn3)cnc2n(C)c1=O ZINC000833038180 600908188 /nfs/dbraw/zinc/90/81/88/600908188.db2.gz PQORWYJFMQMIAG-LBPRGKRZSA-N -1 0 369.337 -0.417 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)Nc3cncc(C(=O)[O-])c3)nc2n(C)c1=O ZINC000833038213 604897859 /nfs/dbraw/zinc/89/78/59/604897859.db2.gz RBVBOBKCCSBICY-UHFFFAOYSA-N -1 0 355.310 -0.022 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N3CCO[C@@H](CC(=O)[O-])C3)cc2n(C)c1=O ZINC000833038230 601396874 /nfs/dbraw/zinc/39/68/74/601396874.db2.gz RMCIBRDOHCAHHM-JTQLQIEISA-N -1 0 369.399 -0.259 20 0 FBADRM Cn1c2ccc(S(=O)(=O)N3CCO[C@H](CC(=O)[O-])C3)cc2n(C)c1=O ZINC000833038231 601396890 /nfs/dbraw/zinc/39/68/90/601396890.db2.gz RMCIBRDOHCAHHM-SNVBAGLBSA-N -1 0 369.399 -0.259 20 0 FBADRM Cn1c2ccc(NC(=O)C(=O)N3CC[C@@](F)(C(=O)[O-])C3)cc2n(C)c1=O ZINC000833038264 601481762 /nfs/dbraw/zinc/48/17/62/601481762.db2.gz SQUDVWIOKNDWSH-INIZCTEOSA-N -1 0 364.333 -0.159 20 0 FBADRM Cn1c2ccc(NC(=O)C(=O)N3CC[C@](F)(C(=O)[O-])C3)cc2n(C)c1=O ZINC000833038269 601481748 /nfs/dbraw/zinc/48/17/48/601481748.db2.gz SQUDVWIOKNDWSH-MRXNPFEDSA-N -1 0 364.333 -0.159 20 0 FBADRM Cn1c2ncn(CCC(=O)N[C@@H](CC(=O)[O-])C3CC3)c2c(=O)n(C)c1=O ZINC000833038285 601538383 /nfs/dbraw/zinc/53/83/83/601538383.db2.gz UDTNBZNFEHOTFG-JTQLQIEISA-N -1 0 363.374 -0.807 20 0 FBADRM Cn1c2ncn(CCC(=O)N[C@H](CC(=O)[O-])C3CC3)c2c(=O)n(C)c1=O ZINC000833038289 601538333 /nfs/dbraw/zinc/53/83/33/601538333.db2.gz UDTNBZNFEHOTFG-SNVBAGLBSA-N -1 0 363.374 -0.807 20 0 FBADRM Cn1c2ccc(NC(=O)CCC(=O)NCCCC(=O)[O-])nc2n(C)c1=O ZINC000833038417 604367031 /nfs/dbraw/zinc/36/70/31/604367031.db2.gz YCLJNLBDPFIKJR-UHFFFAOYSA-N -1 0 363.374 -0.028 20 0 FBADRM Cn1c(C(=O)NCC2(C(=O)[O-])CCCC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000833038426 601708409 /nfs/dbraw/zinc/70/84/09/601708409.db2.gz YSZFIUOGPKFXJC-UHFFFAOYSA-N -1 0 362.386 -0.050 20 0 FBADRM Cn1c(=O)c2cc(C(=O)N3CC[C@@](F)(C(=O)[O-])C3)cnc2n(C)c1=O ZINC000833038432 601713901 /nfs/dbraw/zinc/71/39/01/601713901.db2.gz ZDHFNAVGXHNKOT-HNNXBMFYSA-N -1 0 350.306 -0.729 20 0 FBADRM Cn1c(=O)c2cc(C(=O)N3CC[C@](F)(C(=O)[O-])C3)cnc2n(C)c1=O ZINC000833038433 601713892 /nfs/dbraw/zinc/71/38/92/601713892.db2.gz ZDHFNAVGXHNKOT-OAHLLOKOSA-N -1 0 350.306 -0.729 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)c3ccnc(C(=O)[O-])c3)cnc2n(C)c1=O ZINC000833038437 601272532 /nfs/dbraw/zinc/27/25/32/601272532.db2.gz ZMUBEPHIPHWAJY-UHFFFAOYSA-N -1 0 355.310 -0.022 20 0 FBADRM Cn1c2ncn(CCOC(=O)c3cnccc3C(=O)[O-])c2c(=O)n(C)c1=O ZINC000833038439 602287999 /nfs/dbraw/zinc/28/79/99/602287999.db2.gz ZPXNBQRLZZPVIU-UHFFFAOYSA-N -1 0 373.325 -0.616 20 0 FBADRM Cn1c(=O)n(CC(=O)OCCc2cn(CC(=O)[O-])nn2)c2ccccc21 ZINC000833038992 604704658 /nfs/dbraw/zinc/70/46/58/604704658.db2.gz OMGYCIHUMHUSPK-UHFFFAOYSA-N -1 0 359.342 -0.198 20 0 FBADRM Cn1c(=O)cc(CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)n(C)c1=O ZINC000833039043 601867686 /nfs/dbraw/zinc/86/76/86/601867686.db2.gz UINRFYOJONFIAA-UHFFFAOYSA-N -1 0 372.337 -0.249 20 0 FBADRM Cn1c(=O)oc2cc(NC(=O)C(=O)N3CCO[C@@H](CC(=O)[O-])C3)ccc21 ZINC000833039180 601493573 /nfs/dbraw/zinc/49/35/73/601493573.db2.gz PJVHKODYENIANL-JTQLQIEISA-N -1 0 363.326 -0.228 20 0 FBADRM Cn1c(=O)oc2cc(NC(=O)C(=O)N3CCO[C@H](CC(=O)[O-])C3)ccc21 ZINC000833039189 601493486 /nfs/dbraw/zinc/49/34/86/601493486.db2.gz PJVHKODYENIANL-SNVBAGLBSA-N -1 0 363.326 -0.228 20 0 FBADRM Cn1c(SCCc2cn(CC(=O)[O-])nn2)nnc1N1CCOCC1 ZINC000833039289 604787589 /nfs/dbraw/zinc/78/75/89/604787589.db2.gz GVUTTXPFDOIGIC-UHFFFAOYSA-N -1 0 353.408 -0.337 20 0 FBADRM CN1C(=S)N=NC1C1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000833039444 601283460 /nfs/dbraw/zinc/28/34/60/601283460.db2.gz KXIFPHHLFFPYLT-UHFFFAOYSA-N -1 0 351.392 -0.200 20 0 FBADRM Cn1c(Cl)ncc1S(=O)(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000833039446 604357113 /nfs/dbraw/zinc/35/71/13/604357113.db2.gz KXKLPETXYRKEJD-UHFFFAOYSA-N -1 0 366.827 -0.519 20 0 FBADRM Cn1c(N)c(C(=O)COC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000833039531 601193097 /nfs/dbraw/zinc/19/30/97/601193097.db2.gz JVSIWZVSTNDTOR-BDAKNGLRSA-N -1 0 367.358 -0.717 20 0 FBADRM Cn1c(N)c(C(=O)COC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000833039532 601193104 /nfs/dbraw/zinc/19/31/04/601193104.db2.gz JVSIWZVSTNDTOR-DTWKUNHWSA-N -1 0 367.358 -0.717 20 0 FBADRM Cn1c(N)c(C(=O)COC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000833039538 601193047 /nfs/dbraw/zinc/19/30/47/601193047.db2.gz JVSIWZVSTNDTOR-IUCAKERBSA-N -1 0 367.358 -0.717 20 0 FBADRM Cn1c(N)c(C(=O)COC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000833039544 601193122 /nfs/dbraw/zinc/19/31/22/601193122.db2.gz JVSIWZVSTNDTOR-RKDXNWHRSA-N -1 0 367.358 -0.717 20 0 FBADRM Cn1c(CON=C(N)COc2cccc(C(=O)[O-])c2)cc(=O)n(C)c1=O ZINC000833039801 601352742 /nfs/dbraw/zinc/35/27/42/601352742.db2.gz MHXQLNSHCCNEEO-UHFFFAOYSA-N -1 0 362.342 -0.140 20 0 FBADRM CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000833039974 601200169 /nfs/dbraw/zinc/20/01/69/601200169.db2.gz YDTQHVVDTDQECY-MRVPVSSYSA-N -1 0 351.392 -0.200 20 0 FBADRM CN1C(=S)N=NC1[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000833039975 601200239 /nfs/dbraw/zinc/20/02/39/601200239.db2.gz YDTQHVVDTDQECY-QMMMGPOBSA-N -1 0 351.392 -0.200 20 0 FBADRM Cn1c(N)c(C(=O)CN2CCC(CCC(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000833040102 601845111 /nfs/dbraw/zinc/84/51/11/601845111.db2.gz SJQZHFQQBUPSJT-UHFFFAOYSA-N -1 0 352.391 -0.574 20 0 FBADRM Cn1c(N2CCOCC2)nn(CN2CCO[C@H](CC(=O)[O-])C2)c1=S ZINC000833040254 601376011 /nfs/dbraw/zinc/37/60/11/601376011.db2.gz XNKROJBLQPVYOF-LLVKDONJSA-N -1 0 357.436 -0.079 20 0 FBADRM Cn1c(N2CCOCC2)nn(CN2CCO[C@@H](CC(=O)[O-])C2)c1=S ZINC000833040255 601375771 /nfs/dbraw/zinc/37/57/71/601375771.db2.gz XNKROJBLQPVYOF-NSHDSACASA-N -1 0 357.436 -0.079 20 0 FBADRM Cn1cc(C(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)c(=O)[nH]c1=O ZINC000833041079 602254013 /nfs/dbraw/zinc/25/40/13/602254013.db2.gz CNKBUCFGWAGZCB-UHFFFAOYSA-N -1 0 367.339 -0.160 20 0 FBADRM Cn1cc([C@@H](O)CNC(=O)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)cn1 ZINC000833041895 600912046 /nfs/dbraw/zinc/91/20/46/600912046.db2.gz GKHDDGLMHKSRBK-GXTWGEPZSA-N -1 0 374.353 -0.552 20 0 FBADRM Cn1cc([C@@H](O)CNC(=O)C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)cn1 ZINC000833041896 600912012 /nfs/dbraw/zinc/91/20/12/600912012.db2.gz GKHDDGLMHKSRBK-JSGCOSHPSA-N -1 0 374.353 -0.552 20 0 FBADRM Cn1cc([C@H](O)CNC(=O)C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)cn1 ZINC000833041897 600912091 /nfs/dbraw/zinc/91/20/91/600912091.db2.gz GKHDDGLMHKSRBK-OCCSQVGLSA-N -1 0 374.353 -0.552 20 0 FBADRM Cn1cc([C@H](O)CNC(=O)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)cn1 ZINC000833041898 600912003 /nfs/dbraw/zinc/91/20/03/600912003.db2.gz GKHDDGLMHKSRBK-TZMCWYRMSA-N -1 0 374.353 -0.552 20 0 FBADRM Cn1cc(/C=C\C(=O)N(CCC(=O)[O-])C2CCOCC2)c(=O)n(C)c1=O ZINC000833043674 600966165 /nfs/dbraw/zinc/96/61/65/600966165.db2.gz FCFCLRLNVWQMCT-ARJAWSKDSA-N -1 0 365.386 -0.421 20 0 FBADRM Cn1cc(/C=C/C(=O)N(CCC(=O)[O-])C2CCOCC2)c(=O)n(C)c1=O ZINC000833043675 600966351 /nfs/dbraw/zinc/96/63/51/600966351.db2.gz FCFCLRLNVWQMCT-ONEGZZNKSA-N -1 0 365.386 -0.421 20 0 FBADRM Cn1cc(C[C@@H]2CC(=O)N(CN3CCO[C@H](CC(=O)[O-])C3)C2=O)cn1 ZINC000833043978 601375921 /nfs/dbraw/zinc/37/59/21/601375921.db2.gz LLIJIMLGZSDZQY-CHWSQXEVSA-N -1 0 350.375 -0.529 20 0 FBADRM Cn1cc(C[C@@H]2CC(=O)N(CN3CCO[C@@H](CC(=O)[O-])C3)C2=O)cn1 ZINC000833043979 601375777 /nfs/dbraw/zinc/37/57/77/601375777.db2.gz LLIJIMLGZSDZQY-OLZOCXBDSA-N -1 0 350.375 -0.529 20 0 FBADRM Cn1cc(C[C@H]2CC(=O)N(CN3CCO[C@H](CC(=O)[O-])C3)C2=O)cn1 ZINC000833043980 601375799 /nfs/dbraw/zinc/37/57/99/601375799.db2.gz LLIJIMLGZSDZQY-QWHCGFSZSA-N -1 0 350.375 -0.529 20 0 FBADRM Cn1cc(C[C@H]2CC(=O)N(CN3CCO[C@@H](CC(=O)[O-])C3)C2=O)cn1 ZINC000833043981 601375878 /nfs/dbraw/zinc/37/58/78/601375878.db2.gz LLIJIMLGZSDZQY-STQMWFEESA-N -1 0 350.375 -0.529 20 0 FBADRM Cn1cc([C@H]2CN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CCO2)cn1 ZINC000833043982 601259887 /nfs/dbraw/zinc/25/98/87/601259887.db2.gz LMXZLGUODGNIMB-CYBMUJFWSA-N -1 0 358.420 -0.165 20 0 FBADRM Cn1cc([C@@H]2CN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CCO2)cn1 ZINC000833043983 601259809 /nfs/dbraw/zinc/25/98/09/601259809.db2.gz LMXZLGUODGNIMB-ZDUSSCGKSA-N -1 0 358.420 -0.165 20 0 FBADRM Cn1cc(/C=C\C(=O)N(CCC(=O)[O-])Cc2ccncc2)c(=O)n(C)c1=O ZINC000833044095 601508260 /nfs/dbraw/zinc/50/82/60/601508260.db2.gz PJQWTOQNVVORKG-ARJAWSKDSA-N -1 0 372.381 -0.004 20 0 FBADRM Cn1cc(/C=C/C(=O)N(CCC(=O)[O-])Cc2ccncc2)c(=O)n(C)c1=O ZINC000833044096 601508575 /nfs/dbraw/zinc/50/85/75/601508575.db2.gz PJQWTOQNVVORKG-ONEGZZNKSA-N -1 0 372.381 -0.004 20 0 FBADRM Cn1cc(/C=C\C(=O)NC2(CC(=O)[O-])CCOCC2)c(=O)n(C)c1=O ZINC000833044283 601326652 /nfs/dbraw/zinc/32/66/52/601326652.db2.gz URCMBXWPVQGCBW-ARJAWSKDSA-N -1 0 351.359 -0.763 20 0 FBADRM Cn1cc(/C=C/C(=O)NC2(CC(=O)[O-])CCOCC2)c(=O)n(C)c1=O ZINC000833044284 601326864 /nfs/dbraw/zinc/32/68/64/601326864.db2.gz URCMBXWPVQGCBW-ONEGZZNKSA-N -1 0 351.359 -0.763 20 0 FBADRM Cn1cc([C@H]2CN(S(=O)(=O)c3cnn(CC(=O)[O-])c3)CCO2)cn1 ZINC000833044319 601259730 /nfs/dbraw/zinc/25/97/30/601259730.db2.gz VPXLYRRAMBVGLI-GFCCVEGCSA-N -1 0 355.376 -0.537 20 0 FBADRM Cn1cc([C@@H]2CN(S(=O)(=O)c3cnn(CC(=O)[O-])c3)CCO2)cn1 ZINC000833044321 601260105 /nfs/dbraw/zinc/26/01/05/601260105.db2.gz VPXLYRRAMBVGLI-LBPRGKRZSA-N -1 0 355.376 -0.537 20 0 FBADRM Cn1cc(N2CCC[C@@H](NS(=O)(=O)c3cnn(CC(=O)[O-])c3)C2)cn1 ZINC000833044522 600767914 /nfs/dbraw/zinc/76/79/14/600767914.db2.gz CANBEJFFZNJXSD-LLVKDONJSA-N -1 0 368.419 -0.352 20 0 FBADRM Cn1cc(N2CCC[C@H](NS(=O)(=O)c3cnn(CC(=O)[O-])c3)C2)cn1 ZINC000833044523 600767966 /nfs/dbraw/zinc/76/79/66/600767966.db2.gz CANBEJFFZNJXSD-NSHDSACASA-N -1 0 368.419 -0.352 20 0 FBADRM Cn1cc(N2CCN(C(=O)C(=O)Nc3ccc(C(=O)[O-])cc3)CC2=O)cn1 ZINC000833044533 601454459 /nfs/dbraw/zinc/45/44/59/601454459.db2.gz CELKWQDXWDRXAG-UHFFFAOYSA-N -1 0 371.353 -0.068 20 0 FBADRM Cn1cc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C(=O)[O-] ZINC000833044633 601320948 /nfs/dbraw/zinc/32/09/48/601320948.db2.gz AJZJBEIGRQPFNU-UHFFFAOYSA-N -1 0 374.357 -0.501 20 0 FBADRM Cn1cc(NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)cc1C(=O)[O-] ZINC000833044755 601311439 /nfs/dbraw/zinc/31/14/39/601311439.db2.gz CVJGBJFZZXODPG-UHFFFAOYSA-N -1 0 369.359 -0.933 20 0 FBADRM Cn1cc(C[C@H]2CCN(S(=O)(=O)c3cnn(CC(=O)[O-])c3)C2)cn1 ZINC000833044882 601261247 /nfs/dbraw/zinc/26/12/47/601261247.db2.gz IHHZISFFXRHPOT-LLVKDONJSA-N -1 0 353.404 -0.046 20 0 FBADRM Cn1cc(C[C@@H]2CCN(S(=O)(=O)c3cnn(CC(=O)[O-])c3)C2)cn1 ZINC000833044883 601261356 /nfs/dbraw/zinc/26/13/56/601261356.db2.gz IHHZISFFXRHPOT-NSHDSACASA-N -1 0 353.404 -0.046 20 0 FBADRM Cn1cc(NC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)cc1C(=O)[O-] ZINC000833045123 601320393 /nfs/dbraw/zinc/32/03/93/601320393.db2.gz JDHJEUOWNOMZFD-UHFFFAOYSA-N -1 0 360.330 -0.030 20 0 FBADRM Cn1cc(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1C(=O)[O-] ZINC000833045304 601315714 /nfs/dbraw/zinc/31/57/14/601315714.db2.gz KKKLBLKCOIUMBZ-GXSJLCMTSA-N -1 0 369.399 -0.303 20 0 FBADRM Cn1cc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1C(=O)[O-] ZINC000833045324 601315756 /nfs/dbraw/zinc/31/57/56/601315756.db2.gz KKKLBLKCOIUMBZ-KOLCDFICSA-N -1 0 369.399 -0.303 20 0 FBADRM Cn1cc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1C(=O)[O-] ZINC000833045326 601315661 /nfs/dbraw/zinc/31/56/61/601315661.db2.gz KKKLBLKCOIUMBZ-MWLCHTKSSA-N -1 0 369.399 -0.303 20 0 FBADRM Cn1cc(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1C(=O)[O-] ZINC000833045328 601315682 /nfs/dbraw/zinc/31/56/82/601315682.db2.gz KKKLBLKCOIUMBZ-ONGXEEELSA-N -1 0 369.399 -0.303 20 0 FBADRM Cn1cc(CN2CCN(S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)CC2)cn1 ZINC000833045510 600780332 /nfs/dbraw/zinc/78/03/32/600780332.db2.gz AIBJSYGDRWRZOI-UHFFFAOYSA-N -1 0 367.431 -0.037 20 0 FBADRM Cn1cc(N2CC[C@@H](NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)C2=O)cn1 ZINC000833045523 661158805 /nfs/dbraw/zinc/15/88/05/661158805.db2.gz AZYSJGXVBBBNEV-LLVKDONJSA-N -1 0 367.387 -0.459 20 0 FBADRM Cn1cc(N2CC[C@H](NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)C2=O)cn1 ZINC000833045526 661158701 /nfs/dbraw/zinc/15/87/01/661158701.db2.gz AZYSJGXVBBBNEV-NSHDSACASA-N -1 0 367.387 -0.459 20 0 FBADRM Cn1cc(N2CC[C@@H](NS(=O)(=O)CC3(CC(=O)[O-])CC3)C2=O)cn1 ZINC000833045911 601516515 /nfs/dbraw/zinc/51/65/15/601516515.db2.gz IQRWYUGWFPFWEJ-LLVKDONJSA-N -1 0 356.404 -0.300 20 0 FBADRM Cn1cc(N2CC[C@H](NS(=O)(=O)CC3(CC(=O)[O-])CC3)C2=O)cn1 ZINC000833045922 601516402 /nfs/dbraw/zinc/51/64/02/601516402.db2.gz IQRWYUGWFPFWEJ-NSHDSACASA-N -1 0 356.404 -0.300 20 0 FBADRM Cn1cc(CN2CCN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)CC2)cn1 ZINC000833046192 600740829 /nfs/dbraw/zinc/74/08/29/600740829.db2.gz KXIUFBNDYBFYOB-UHFFFAOYSA-N -1 0 353.404 -0.047 20 0 FBADRM Cn1cc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1C(=O)[O-] ZINC000833046354 601319449 /nfs/dbraw/zinc/31/94/49/601319449.db2.gz VPFYTOAYTIXENX-GFCCVEGCSA-N -1 0 364.402 -0.158 20 0 FBADRM Cn1cc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1C(=O)[O-] ZINC000833046355 601319325 /nfs/dbraw/zinc/31/93/25/601319325.db2.gz VPFYTOAYTIXENX-LBPRGKRZSA-N -1 0 364.402 -0.158 20 0 FBADRM Cn1cc(N2CCC[C@@H](NC(=O)N3CCO[C@H](CC(=O)[O-])C3)C2=O)cn1 ZINC000833046377 601778805 /nfs/dbraw/zinc/77/88/05/601778805.db2.gz ORDJXBSAIAKUAX-CHWSQXEVSA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)N3CCO[C@H](CC(=O)[O-])C3)C2=O)cn1 ZINC000833046378 601778694 /nfs/dbraw/zinc/77/86/94/601778694.db2.gz ORDJXBSAIAKUAX-OLZOCXBDSA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1cc(N2CCC[C@@H](NC(=O)N3CCO[C@@H](CC(=O)[O-])C3)C2=O)cn1 ZINC000833046379 601778724 /nfs/dbraw/zinc/77/87/24/601778724.db2.gz ORDJXBSAIAKUAX-QWHCGFSZSA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)N3CCO[C@@H](CC(=O)[O-])C3)C2=O)cn1 ZINC000833046380 601778711 /nfs/dbraw/zinc/77/87/11/601778711.db2.gz ORDJXBSAIAKUAX-STQMWFEESA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1cc(N2CC[C@H](NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)C2=O)cn1 ZINC000833046436 600753063 /nfs/dbraw/zinc/75/30/63/600753063.db2.gz QYLKRGRGHMAGHS-JTQLQIEISA-N -1 0 353.360 -0.470 20 0 FBADRM Cn1cc(N2CC[C@@H](NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)C2=O)cn1 ZINC000833046437 600753151 /nfs/dbraw/zinc/75/31/51/600753151.db2.gz QYLKRGRGHMAGHS-SNVBAGLBSA-N -1 0 353.360 -0.470 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)N3CCO[C@H](CC(=O)[O-])C3)C2=O)cn1 ZINC000833046773 601776467 /nfs/dbraw/zinc/77/64/67/601776467.db2.gz TVSSXOJSETWXTC-NEPJUHHUSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)N3CCO[C@@H](CC(=O)[O-])C3)C2=O)cn1 ZINC000833046775 601776434 /nfs/dbraw/zinc/77/64/34/601776434.db2.gz TVSSXOJSETWXTC-NWDGAFQWSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)N3CCO[C@@H](CC(=O)[O-])C3)C2=O)cn1 ZINC000833046776 601776275 /nfs/dbraw/zinc/77/62/75/601776275.db2.gz TVSSXOJSETWXTC-RYUDHWBXSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)N3CCO[C@H](CC(=O)[O-])C3)C2=O)cn1 ZINC000833046778 601776324 /nfs/dbraw/zinc/77/63/24/601776324.db2.gz TVSSXOJSETWXTC-VXGBXAGGSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(N2CCN(S(=O)(=O)c3cnn(CC(=O)[O-])c3)CC2)cn1 ZINC000833046781 600867008 /nfs/dbraw/zinc/86/70/08/600867008.db2.gz GFTVFKTVBLRPKO-UHFFFAOYSA-N -1 0 354.392 -0.788 20 0 FBADRM Cn1cc(N2CCN(S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)CC2)cn1 ZINC000833046811 600866984 /nfs/dbraw/zinc/86/69/84/600866984.db2.gz GMWMWKNYGMVSQV-UHFFFAOYSA-N -1 0 353.404 -0.032 20 0 FBADRM Cn1cc(N2CCN(S(=O)(=O)c3ccc(C(=O)[O-])o3)CC2=O)cn1 ZINC000833046904 601441452 /nfs/dbraw/zinc/44/14/52/601441452.db2.gz ICFZSZPWCOKOKP-UHFFFAOYSA-N -1 0 354.344 -0.251 20 0 FBADRM Cn1cc(N2CCN(CC(=O)NC3(C(=O)[O-])CCCCC3)CC2=O)cn1 ZINC000833046906 601424660 /nfs/dbraw/zinc/42/46/60/601424660.db2.gz IEBXMZZQJBDGCU-UHFFFAOYSA-N -1 0 363.418 -0.028 20 0 FBADRM Cn1cc(CN2CCN(S(=O)(=O)c3cnn(CC(=O)[O-])c3)CC2)cn1 ZINC000833046983 600740864 /nfs/dbraw/zinc/74/08/64/600740864.db2.gz YPNWOQHKUOCWLV-UHFFFAOYSA-N -1 0 368.419 -0.792 20 0 FBADRM Cn1cc(N2CCN(S(=O)(=O)CC3(CC(=O)[O-])CC3)CC2=O)cn1 ZINC000833047174 601521629 /nfs/dbraw/zinc/52/16/29/601521629.db2.gz LFVCYOXIYDIRGO-UHFFFAOYSA-N -1 0 356.404 -0.347 20 0 FBADRM Cn1cc(N2CCC[C@@H](NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)C2=O)cn1 ZINC000833047200 600763474 /nfs/dbraw/zinc/76/34/74/600763474.db2.gz MHERVVZHJAHYNJ-LLVKDONJSA-N -1 0 367.387 -0.080 20 0 FBADRM Cn1cc(N2CCC[C@H](NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)C2=O)cn1 ZINC000833047201 600763300 /nfs/dbraw/zinc/76/33/00/600763300.db2.gz MHERVVZHJAHYNJ-NSHDSACASA-N -1 0 367.387 -0.080 20 0 FBADRM Cn1cc(N2CCN(S(=O)(=O)c3csnc3C(=O)[O-])CC2=O)cn1 ZINC000833047238 601584226 /nfs/dbraw/zinc/58/42/26/601584226.db2.gz NOQCYZHEWUJSMP-UHFFFAOYSA-N -1 0 371.400 -0.388 20 0 FBADRM Cn1cc(N2CCN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CC2)cn1 ZINC000833047313 600867079 /nfs/dbraw/zinc/86/70/79/600867079.db2.gz OTYYZJDVFGTJMW-UHFFFAOYSA-N -1 0 357.436 -0.417 20 0 FBADRM Cn1cc(N2CCN(C(=O)C(=O)Nc3cccc(C(=O)[O-])c3)CC2=O)cn1 ZINC000833047343 601454439 /nfs/dbraw/zinc/45/44/39/601454439.db2.gz PQPSTBCWUGKGIG-UHFFFAOYSA-N -1 0 371.353 -0.068 20 0 FBADRM Cn1cc(N2CCN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)CC2=O)cn1 ZINC000833047497 601441368 /nfs/dbraw/zinc/44/13/68/601441368.db2.gz UOCKBPLVBIAQJU-UHFFFAOYSA-N -1 0 353.360 -0.516 20 0 FBADRM Cn1cc(N2CCN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CC2=O)cn1 ZINC000833047607 601441590 /nfs/dbraw/zinc/44/15/90/601441590.db2.gz VRJIQUZXBYIYDQ-UHFFFAOYSA-N -1 0 371.419 -0.890 20 0 FBADRM Cn1cc(N2CCN(S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)CC2=O)cn1 ZINC000833047625 601441618 /nfs/dbraw/zinc/44/16/18/601441618.db2.gz WJIKRUAEXDPBRD-UHFFFAOYSA-N -1 0 367.387 -0.506 20 0 FBADRM Cn1cc(NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1C(=O)[O-] ZINC000833048593 602358669 /nfs/dbraw/zinc/35/86/69/602358669.db2.gz LXGKXPHZUSBYJV-UHFFFAOYSA-N -1 0 363.374 -0.322 20 0 FBADRM Cn1cc(NC(=O)Nc2cnn(CC(=O)NCCO)c2)cc1C(=O)[O-] ZINC000833049384 602363537 /nfs/dbraw/zinc/36/35/37/602363537.db2.gz MATSDFIRVVTYBL-UHFFFAOYSA-N -1 0 350.335 -0.328 20 0 FBADRM Cn1cc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1C(=O)[O-] ZINC000833050637 601314495 /nfs/dbraw/zinc/31/44/95/601314495.db2.gz KDMFXJXNERULBL-UHFFFAOYSA-N -1 0 357.326 -0.079 20 0 FBADRM Cn1cc(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1C(=O)[O-] ZINC000833051032 602361212 /nfs/dbraw/zinc/36/12/12/602361212.db2.gz OKUYMCSJKPZDOG-UHFFFAOYSA-N -1 0 373.435 -0.578 20 0 FBADRM Cn1cc(NC(=O)NCCNS(=O)(=O)Cc2ccon2)cc1C(=O)[O-] ZINC000833051042 602365954 /nfs/dbraw/zinc/36/59/54/602365954.db2.gz OXQSTLYLHUWLON-UHFFFAOYSA-N -1 0 371.375 -0.048 20 0 FBADRM Cn1cc(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1C(=O)[O-] ZINC000833051672 601310598 /nfs/dbraw/zinc/31/05/98/601310598.db2.gz GZQMEFCSRCLJNB-UHFFFAOYSA-N -1 0 357.326 -0.079 20 0 FBADRM Cn1cc(NC(=O)NCCS(=O)(=O)N2CCOCC2)cc1C(=O)[O-] ZINC000833051936 602357754 /nfs/dbraw/zinc/35/77/54/602357754.db2.gz XTCUQIDOGRFXSW-UHFFFAOYSA-N -1 0 360.392 -0.493 20 0 FBADRM Cn1cc(NC(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)cc1C(=O)[O-] ZINC000833052147 601323531 /nfs/dbraw/zinc/32/35/31/601323531.db2.gz OGHXJZVDLPPUBO-UHFFFAOYSA-N -1 0 359.342 -0.135 20 0 FBADRM Cn1cc(NC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)cc1C(=O)[O-] ZINC000833052168 601313320 /nfs/dbraw/zinc/31/33/20/601313320.db2.gz PKDFVOJNGKWVFO-UHFFFAOYSA-N -1 0 370.343 -0.668 20 0 FBADRM Cn1cc(S(=O)(=O)N(CCN2CCOCC2)CC(=O)[O-])nc1Cl ZINC000833052558 604408062 /nfs/dbraw/zinc/40/80/62/604408062.db2.gz AEUMNHZPHRXVRT-UHFFFAOYSA-N -1 0 366.827 -0.519 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)Nc2nc(CCC(=O)[O-])cs2)cn1 ZINC000833052633 604724142 /nfs/dbraw/zinc/72/41/42/604724142.db2.gz AWBLJIASAVIHMG-UHFFFAOYSA-N -1 0 373.416 -0.189 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)c2cnccc2C(=O)[O-])cn1 ZINC000833052662 604868423 /nfs/dbraw/zinc/86/84/23/604868423.db2.gz CAGYLLZTLOCTCD-UHFFFAOYSA-N -1 0 354.344 -0.351 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOCCS(C)(=O)=O)cc1C(=O)[O-] ZINC000833052717 600786789 /nfs/dbraw/zinc/78/67/89/600786789.db2.gz FNBBLLDNUHOUEN-UHFFFAOYSA-N -1 0 354.406 -0.937 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)cc1C(=O)[O-] ZINC000833052873 602401504 /nfs/dbraw/zinc/40/15/04/602401504.db2.gz KIYROXHDMDKRMN-CLAHSXSESA-N -1 0 370.387 -0.620 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)cc1C(=O)[O-] ZINC000833052878 602401445 /nfs/dbraw/zinc/40/14/45/602401445.db2.gz KIYROXHDMDKRMN-RMLUDKJBSA-N -1 0 370.387 -0.620 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)cc1C(=O)[O-] ZINC000833052879 602401500 /nfs/dbraw/zinc/40/15/00/602401500.db2.gz KIYROXHDMDKRMN-RTHLEPHNSA-N -1 0 370.387 -0.620 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)cc1C(=O)[O-] ZINC000833052880 602401415 /nfs/dbraw/zinc/40/14/15/602401415.db2.gz KIYROXHDMDKRMN-XLKFXECMSA-N -1 0 370.387 -0.620 20 0 FBADRM Cn1cc(S(=O)(=O)NCCNC(=O)c2cccnc2)cc1C(=O)[O-] ZINC000833052888 600771300 /nfs/dbraw/zinc/77/13/00/600771300.db2.gz KZIJGBXSIDUEHH-UHFFFAOYSA-N -1 0 352.372 -0.173 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cn1 ZINC000833052907 601789117 /nfs/dbraw/zinc/78/91/17/601789117.db2.gz MCTOEWDHHWRJIZ-CYBMUJFWSA-N -1 0 358.420 -0.152 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])C2CCCCC2)cn1 ZINC000833052908 601788947 /nfs/dbraw/zinc/78/89/47/601788947.db2.gz MCTOEWDHHWRJIZ-ZDUSSCGKSA-N -1 0 358.420 -0.152 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)c2cccc(C(=O)[O-])n2)cn1 ZINC000833052918 601111914 /nfs/dbraw/zinc/11/19/14/601111914.db2.gz MRBJLIVAUGKBOK-UHFFFAOYSA-N -1 0 354.344 -0.351 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c2ccccn2)cn1 ZINC000833053167 600910702 /nfs/dbraw/zinc/91/07/02/600910702.db2.gz PWRSMPBYBBWVMF-GFCCVEGCSA-N -1 0 353.360 -0.965 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c2ccccn2)cn1 ZINC000833053168 600910822 /nfs/dbraw/zinc/91/08/22/600910822.db2.gz PWRSMPBYBBWVMF-LBPRGKRZSA-N -1 0 353.360 -0.965 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cn1 ZINC000833053216 601741852 /nfs/dbraw/zinc/74/18/52/601741852.db2.gz SIXCNLVZYIKGGX-CYBMUJFWSA-N -1 0 370.362 -0.220 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c2ccccc2F)cn1 ZINC000833053217 601741797 /nfs/dbraw/zinc/74/17/97/601741797.db2.gz SIXCNLVZYIKGGX-ZDUSSCGKSA-N -1 0 370.362 -0.220 20 0 FBADRM Cn1cc(S(=O)(=O)NCCCN2CCCS2(=O)=O)cc1C(=O)[O-] ZINC000833053252 600778067 /nfs/dbraw/zinc/77/80/67/600778067.db2.gz USBFBTAUJANSIK-UHFFFAOYSA-N -1 0 365.433 -0.573 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)c2ccc(C(=O)[O-])nc2)cn1 ZINC000833053259 601097360 /nfs/dbraw/zinc/09/73/60/601097360.db2.gz UXMZCOVQQJWCIR-UHFFFAOYSA-N -1 0 354.344 -0.351 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc1C(=O)[O-] ZINC000833053335 601267828 /nfs/dbraw/zinc/26/78/28/601267828.db2.gz GFJNHVKFKVCRJM-GFCCVEGCSA-N -1 0 371.415 -0.219 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1C(=O)[O-] ZINC000833053336 601267801 /nfs/dbraw/zinc/26/78/01/601267801.db2.gz GFJNHVKFKVCRJM-LBPRGKRZSA-N -1 0 371.415 -0.219 20 0 FBADRM Cn1ccnc1CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000833053396 600780298 /nfs/dbraw/zinc/78/02/98/600780298.db2.gz KDPLPZQUCVBVEW-UHFFFAOYSA-N -1 0 367.431 -0.037 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCN(C(C)(C)C(N)=O)CC2)cc1C(=O)[O-] ZINC000833053495 601226149 /nfs/dbraw/zinc/22/61/49/601226149.db2.gz NUQNNVMQPAVKSU-UHFFFAOYSA-N -1 0 358.420 -0.707 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)c2ccc(C(=O)[O-])cn2)cn1 ZINC000833053613 601072082 /nfs/dbraw/zinc/07/20/82/601072082.db2.gz YTLRMCJCPOIXHW-UHFFFAOYSA-N -1 0 354.344 -0.351 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCN(c3nc(N)ns3)CC2)cc1C(=O)[O-] ZINC000833053656 604359375 /nfs/dbraw/zinc/35/93/75/604359375.db2.gz HLCQZULSHPKRSB-UHFFFAOYSA-N -1 0 372.432 -0.332 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCS(=O)(=O)C(C)(C)C2)cc1C(=O)[O-] ZINC000833053715 601810226 /nfs/dbraw/zinc/81/02/26/601810226.db2.gz KLNDBOJQEWBYHT-UHFFFAOYSA-N -1 0 350.418 -0.079 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1C(=O)[O-] ZINC000833053756 600767698 /nfs/dbraw/zinc/76/76/98/600767698.db2.gz OTAWBDLDOCZHLT-UHFFFAOYSA-N -1 0 370.431 -0.692 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)cc1C(=O)[O-] ZINC000833053805 600785152 /nfs/dbraw/zinc/78/51/52/600785152.db2.gz ROVCUJWSPYUZRU-SECBINFHSA-N -1 0 365.433 -0.588 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC[C@H](CS(N)(=O)=O)C2)cc1C(=O)[O-] ZINC000833053806 600785217 /nfs/dbraw/zinc/78/52/17/600785217.db2.gz ROVCUJWSPYUZRU-VIFPVBQESA-N -1 0 365.433 -0.588 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC[C@H](N3CCNC3=O)C2)cc1C(=O)[O-] ZINC000833053831 600775769 /nfs/dbraw/zinc/77/57/69/600775769.db2.gz SULJKABPXXTDOG-JTQLQIEISA-N -1 0 356.404 -0.098 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC[C@@H](N3CCNC3=O)C2)cc1C(=O)[O-] ZINC000833053832 600776120 /nfs/dbraw/zinc/77/61/20/600776120.db2.gz SULJKABPXXTDOG-SNVBAGLBSA-N -1 0 356.404 -0.098 20 0 FBADRM Cn1cc(S(=O)(=O)NCCS(=O)(=O)NC(C)(C)C)cc1C(=O)[O-] ZINC000833054148 661158751 /nfs/dbraw/zinc/15/87/51/661158751.db2.gz OCAKQNIJSFWOCY-UHFFFAOYSA-N -1 0 367.449 -0.281 20 0 FBADRM Cn1cc(S(=O)(=O)NCCS(=O)(=O)NC2CC2)cc1C(=O)[O-] ZINC000833054160 661159098 /nfs/dbraw/zinc/15/90/98/661159098.db2.gz PFYMACPENGERDJ-UHFFFAOYSA-N -1 0 351.406 -0.917 20 0 FBADRM Cn1cc(S(=O)(=O)NCCS(=O)(=O)CC2CC2)cc1C(=O)[O-] ZINC000833054226 602225016 /nfs/dbraw/zinc/22/50/16/602225016.db2.gz TYUMRHDCBCLJKC-UHFFFAOYSA-N -1 0 350.418 -0.174 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCO[C@@H](Cn3cncn3)C2)cc1C(=O)[O-] ZINC000833054308 661159012 /nfs/dbraw/zinc/15/90/12/661159012.db2.gz XFTWZAFIJBHTCQ-JTQLQIEISA-N -1 0 355.376 -0.596 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCO[C@H](Cn3cncn3)C2)cc1C(=O)[O-] ZINC000833054309 661159082 /nfs/dbraw/zinc/15/90/82/661159082.db2.gz XFTWZAFIJBHTCQ-SNVBAGLBSA-N -1 0 355.376 -0.596 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCc3nn(C)c(=O)cc3C2)cc1C(=O)[O-] ZINC000833054372 600790570 /nfs/dbraw/zinc/79/05/70/600790570.db2.gz ZYVFHMXHNWFODY-UHFFFAOYSA-N -1 0 352.372 -0.436 20 0 FBADRM Cn1ccc(N2CCC[C@H](NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)C2=O)n1 ZINC000833054978 600780567 /nfs/dbraw/zinc/78/05/67/600780567.db2.gz FSIHWGUQRKZGMA-JTQLQIEISA-N -1 0 367.387 -0.080 20 0 FBADRM Cn1ccc(N2CCC[C@@H](NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)C2=O)n1 ZINC000833054979 600780487 /nfs/dbraw/zinc/78/04/87/600780487.db2.gz FSIHWGUQRKZGMA-SNVBAGLBSA-N -1 0 367.387 -0.080 20 0 FBADRM Cn1cc(S(=O)(=O)Oc2ccc(CC(=O)[O-])cc2)c(=O)n(C)c1=O ZINC000833055232 601136203 /nfs/dbraw/zinc/13/62/03/601136203.db2.gz DALITMXIQNVPNN-UHFFFAOYSA-N -1 0 354.340 -0.521 20 0 FBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000833055298 601440653 /nfs/dbraw/zinc/44/06/53/601440653.db2.gz GCFURDWANFJBDR-JTQLQIEISA-N -1 0 359.404 -0.232 20 0 FBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000833055300 601440718 /nfs/dbraw/zinc/44/07/18/601440718.db2.gz GCFURDWANFJBDR-SNVBAGLBSA-N -1 0 359.404 -0.232 20 0 FBADRM Cn1cc(S(=O)(=O)Oc2ccccc2NC(=O)[O-])c(=O)n(C)c1=O ZINC000833055716 601226788 /nfs/dbraw/zinc/22/67/88/601226788.db2.gz MRHVOXHHHRRTEF-UHFFFAOYSA-N -1 0 355.328 -0.058 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)N3CCO[C@H](CC(=O)[O-])C3)C2=O)n1 ZINC000833056186 601779436 /nfs/dbraw/zinc/77/94/36/601779436.db2.gz URYKTGYAFCDKBP-NEPJUHHUSA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1ccc(N2CCC[C@@H](NC(=O)N3CCO[C@@H](CC(=O)[O-])C3)C2=O)n1 ZINC000833056204 601779485 /nfs/dbraw/zinc/77/94/85/601779485.db2.gz URYKTGYAFCDKBP-NWDGAFQWSA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)N3CCO[C@@H](CC(=O)[O-])C3)C2=O)n1 ZINC000833056206 601779497 /nfs/dbraw/zinc/77/94/97/601779497.db2.gz URYKTGYAFCDKBP-RYUDHWBXSA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1ccc(N2CCC[C@@H](NC(=O)N3CCO[C@H](CC(=O)[O-])C3)C2=O)n1 ZINC000833056208 601779351 /nfs/dbraw/zinc/77/93/51/601779351.db2.gz URYKTGYAFCDKBP-VXGBXAGGSA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1cnc2c1c(=O)n(CCCS(=O)(=O)CCCC(=O)[O-])c(=O)n2C ZINC000833057514 601638977 /nfs/dbraw/zinc/63/89/77/601638977.db2.gz AWWHHGUXMMHAQX-UHFFFAOYSA-N -1 0 372.403 -0.897 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)Nc2cccc(OCC(=O)[O-])c2)c1 ZINC000833057526 601553364 /nfs/dbraw/zinc/55/33/64/601553364.db2.gz BOEYZXGYHOKJGD-UHFFFAOYSA-N -1 0 368.371 -0.200 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)N(CC(=O)[O-])C1CCCC1)c(=O)n2C ZINC000833057528 602401259 /nfs/dbraw/zinc/40/12/59/602401259.db2.gz BPADMFINCUYPMF-UHFFFAOYSA-N -1 0 363.374 -0.711 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)c1 ZINC000833057529 601558775 /nfs/dbraw/zinc/55/87/75/601558775.db2.gz BQRSCSABBWQHFT-LLVKDONJSA-N -1 0 374.419 -0.819 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)c1 ZINC000833057530 601558720 /nfs/dbraw/zinc/55/87/20/601558720.db2.gz BQRSCSABBWQHFT-NSHDSACASA-N -1 0 374.419 -0.819 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000833057539 601558738 /nfs/dbraw/zinc/55/87/38/601558738.db2.gz BZDJOKRBEZSIKY-UHFFFAOYSA-N -1 0 364.383 -0.061 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)NCC1(C(=O)[O-])CCCC1)c(=O)n2C ZINC000833057576 601601522 /nfs/dbraw/zinc/60/15/22/601601522.db2.gz FLJNTEMMRQIUPV-UHFFFAOYSA-N -1 0 363.374 -0.805 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)OCC(=O)c2cc(C(=O)[O-])co2)c1 ZINC000833057591 601604820 /nfs/dbraw/zinc/60/48/20/601604820.db2.gz GJFPXSRCHWUKPZ-UHFFFAOYSA-N -1 0 371.327 -0.584 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(C(=O)[O-])s1)c(=O)n2C ZINC000833057593 600902277 /nfs/dbraw/zinc/90/22/77/600902277.db2.gz GPCWBKFUGNJHHG-UHFFFAOYSA-N -1 0 363.355 -0.168 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2CCSC[C@H]2CC(=O)[O-])c1 ZINC000833057790 601559377 /nfs/dbraw/zinc/55/93/77/601559377.db2.gz HPPAEZRQKLUSSU-SECBINFHSA-N -1 0 362.433 -0.883 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2CCSC[C@@H]2CC(=O)[O-])c1 ZINC000833057797 601559554 /nfs/dbraw/zinc/55/95/54/601559554.db2.gz HPPAEZRQKLUSSU-VIFPVBQESA-N -1 0 362.433 -0.883 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c2ccccn2)c1 ZINC000833057821 601559359 /nfs/dbraw/zinc/55/93/59/601559359.db2.gz JGCZQTUVDGZKMJ-GFCCVEGCSA-N -1 0 353.360 -0.965 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c2ccccn2)c1 ZINC000833057822 601559616 /nfs/dbraw/zinc/55/96/16/601559616.db2.gz JGCZQTUVDGZKMJ-LBPRGKRZSA-N -1 0 353.360 -0.965 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)Nc1cc(C(=O)[O-])cs1)c(=O)n2C ZINC000833057837 602187193 /nfs/dbraw/zinc/18/71/93/602187193.db2.gz KETNKAMUSUZWGG-UHFFFAOYSA-N -1 0 363.355 -0.168 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC000833057850 601559531 /nfs/dbraw/zinc/55/95/31/601559531.db2.gz LHTQBIQCGMABCY-CYBMUJFWSA-N -1 0 358.420 -0.152 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC000833057851 601559557 /nfs/dbraw/zinc/55/95/57/601559557.db2.gz LHTQBIQCGMABCY-ZDUSSCGKSA-N -1 0 358.420 -0.152 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)Nc2nnc(CCC(=O)[O-])s2)c1 ZINC000833057859 601558759 /nfs/dbraw/zinc/55/87/59/601558759.db2.gz LWJUKINPPYXNEG-UHFFFAOYSA-N -1 0 374.404 -0.794 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)Nc2nc(CCC(=O)[O-])cs2)c1 ZINC000833057876 604348163 /nfs/dbraw/zinc/34/81/63/604348163.db2.gz MQVJVMFGKUUXIC-UHFFFAOYSA-N -1 0 373.416 -0.189 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c2cccs2)c1 ZINC000833057973 601557973 /nfs/dbraw/zinc/55/79/73/601557973.db2.gz PLFFMYASHAGEEU-LLVKDONJSA-N -1 0 358.401 -0.298 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c2cccs2)c1 ZINC000833057984 601558011 /nfs/dbraw/zinc/55/80/11/601558011.db2.gz PLFFMYASHAGEEU-NSHDSACASA-N -1 0 358.401 -0.298 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000833058015 601559362 /nfs/dbraw/zinc/55/93/62/601559362.db2.gz QIORYLKVFDUTSD-GFCCVEGCSA-N -1 0 366.399 -0.317 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000833058018 601559536 /nfs/dbraw/zinc/55/95/36/601559536.db2.gz QIORYLKVFDUTSD-LBPRGKRZSA-N -1 0 366.399 -0.317 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC000833058020 601553309 /nfs/dbraw/zinc/55/33/09/601553309.db2.gz QKSAPJPOBNZHDS-UHFFFAOYSA-N -1 0 366.399 -0.245 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)NCCSCCC(=O)[O-])c1 ZINC000833058071 601558708 /nfs/dbraw/zinc/55/87/08/601558708.db2.gz RDCIQXVLIUYGCP-UHFFFAOYSA-N -1 0 350.422 -0.978 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N(CC(=O)[O-])Cc2ccccc2)c1 ZINC000833058087 601547372 /nfs/dbraw/zinc/54/73/72/601547372.db2.gz RGNRCJMQBDDUBT-UHFFFAOYSA-N -1 0 366.399 -0.188 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000833058105 601553053 /nfs/dbraw/zinc/55/30/53/601553053.db2.gz RPUWDYZRHJTMNS-UHFFFAOYSA-N -1 0 352.372 -0.036 20 0 FBADRM Cn1ccnc1CN1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000833058125 600741034 /nfs/dbraw/zinc/74/10/34/600741034.db2.gz MOAOZAJOWBUDIL-UHFFFAOYSA-N -1 0 368.419 -0.792 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)Nc1cncc(C(=O)[O-])c1)c(=O)n2C ZINC000833058238 604899905 /nfs/dbraw/zinc/89/99/05/604899905.db2.gz UHIYYBIFAPIYLL-UHFFFAOYSA-N -1 0 358.314 -0.834 20 0 FBADRM Cn1ccnc(N2CCN(CC(=O)N3CCC(C(=O)[O-])CC3)CC2)c1=O ZINC000833058301 600800758 /nfs/dbraw/zinc/80/07/58/600800758.db2.gz AJAXWVDFMSZRFT-UHFFFAOYSA-N -1 0 363.418 -0.775 20 0 FBADRM Cn1ccnc(N2CCN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)CC2)c1=O ZINC000833058368 600791325 /nfs/dbraw/zinc/79/13/25/600791325.db2.gz DGQXTJPJVZOWHR-UHFFFAOYSA-N -1 0 367.387 -0.683 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)Nc3ccn(CC(=O)[O-])n3)CC2)c1=O ZINC000833058405 600844782 /nfs/dbraw/zinc/84/47/82/600844782.db2.gz FQUNWFCTSLMOMQ-UHFFFAOYSA-N -1 0 361.362 -0.585 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000833058469 601744946 /nfs/dbraw/zinc/74/49/46/601744946.db2.gz XMDNGKXTSYCNGL-CYBMUJFWSA-N -1 0 370.362 -0.220 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000833058479 601745127 /nfs/dbraw/zinc/74/51/27/601745127.db2.gz XMDNGKXTSYCNGL-ZDUSSCGKSA-N -1 0 370.362 -0.220 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000833058526 601558721 /nfs/dbraw/zinc/55/87/21/601558721.db2.gz XZJFTTMCPUPIJL-LLVKDONJSA-N -1 0 364.383 -0.087 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000833058531 601558704 /nfs/dbraw/zinc/55/87/04/601558704.db2.gz XZJFTTMCPUPIJL-NSHDSACASA-N -1 0 364.383 -0.087 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000833058543 601558666 /nfs/dbraw/zinc/55/86/66/601558666.db2.gz YHRASZZZCPMLTK-JTQLQIEISA-N -1 0 356.404 -0.588 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000833058545 601558748 /nfs/dbraw/zinc/55/87/48/601558748.db2.gz YHRASZZZCPMLTK-SNVBAGLBSA-N -1 0 356.404 -0.588 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc(OCC(=O)[O-])cc2)c1 ZINC000833058556 601558114 /nfs/dbraw/zinc/55/81/14/601558114.db2.gz YJHIYJRETISULW-UHFFFAOYSA-N -1 0 368.371 -0.200 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC000833058621 601553224 /nfs/dbraw/zinc/55/32/24/601553224.db2.gz ZJEQPQVINAXZFZ-UHFFFAOYSA-N -1 0 358.420 -0.008 20 0 FBADRM Cn1cnc2cc(S(=O)(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])ccc21 ZINC000833058680 604803383 /nfs/dbraw/zinc/80/33/83/604803383.db2.gz MXMGKRFYENWLQO-GFCCVEGCSA-N -1 0 352.372 -0.463 20 0 FBADRM Cn1cnc2cc(S(=O)(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])ccc21 ZINC000833058682 604803535 /nfs/dbraw/zinc/80/35/35/604803535.db2.gz MXMGKRFYENWLQO-LBPRGKRZSA-N -1 0 352.372 -0.463 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)Nc2nc(CC(=O)[O-])cs2)c1 ZINC000833058693 601558048 /nfs/dbraw/zinc/55/80/48/601558048.db2.gz ZMTUZUQDBDMMPC-UHFFFAOYSA-N -1 0 359.389 -0.579 20 0 FBADRM Cn1ccnc(N2CCN(S(=O)(=O)CC3(CC(=O)[O-])CC3)CC2)c1=O ZINC000833058883 601519769 /nfs/dbraw/zinc/51/97/69/601519769.db2.gz JFYZNSKMFYWVTN-UHFFFAOYSA-N -1 0 370.431 -0.513 20 0 FBADRM Cn1ccnc1CN1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000833059008 600740885 /nfs/dbraw/zinc/74/08/85/600740885.db2.gz UAQPCBHZVKTVJP-UHFFFAOYSA-N -1 0 353.404 -0.047 20 0 FBADRM Cn1ccnc(N2CCN(S(=O)(=O)c3ccc(C(=O)[O-])o3)CC2)c1=O ZINC000833059338 600791393 /nfs/dbraw/zinc/79/13/93/600791393.db2.gz OTAPEDKSLWDBDE-UHFFFAOYSA-N -1 0 368.371 -0.418 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)NCCSCC(=O)[O-])CC2)c1=O ZINC000833059837 600747974 /nfs/dbraw/zinc/74/79/74/600747974.db2.gz ZWSYTWGQZUUXJS-UHFFFAOYSA-N -1 0 355.420 -0.570 20 0 FBADRM Cn1nc(CC(=O)OCCc2cn(CC(=O)[O-])nn2)c2ccccc2c1=O ZINC000833060300 604694825 /nfs/dbraw/zinc/69/48/25/604694825.db2.gz CGWPMIMQXLVLPH-UHFFFAOYSA-N -1 0 371.353 -0.062 20 0 FBADRM Cn1nc2c(cc1=O)CN(C(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1)CC2 ZINC000833060581 600860234 /nfs/dbraw/zinc/86/02/34/600860234.db2.gz RMKSVJOJKJCONY-UHFFFAOYSA-N -1 0 370.365 -0.069 20 0 FBADRM Cn1nc2c(cc1=O)CN(CC(=O)Nc1nc(CC(=O)[O-])cs1)CC2 ZINC000833060697 600827396 /nfs/dbraw/zinc/82/73/96/600827396.db2.gz VLHFULVJASAXRE-UHFFFAOYSA-N -1 0 363.399 -0.139 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)N(CCC(=O)[O-])C1CCOCC1)c2=O ZINC000833061310 600964574 /nfs/dbraw/zinc/96/45/74/600964574.db2.gz CVHDCXZZWLJTNI-UHFFFAOYSA-N -1 0 363.374 -0.388 20 0 FBADRM Cn1ncc2c1nnn(CC(=O)NCc1ccc(NC(=O)[O-])cc1)c2=O ZINC000833061696 601546743 /nfs/dbraw/zinc/54/67/43/601546743.db2.gz GDTMDTFIBAPRRC-UHFFFAOYSA-N -1 0 357.330 -0.069 20 0 FBADRM Cn1ncnc1CN1C(C(=O)[O-])=NC2=NS(=O)(=O)c3ccccc3N21 ZINC000833061966 600839107 /nfs/dbraw/zinc/83/91/07/600839107.db2.gz JZFHTGAUFZWVMN-UHFFFAOYSA-N -1 0 361.343 -0.406 20 0 FBADRM Cn1nc2c(cc1=O)CN(c1ccc(S(N)(=O)=O)cc1C(=O)[O-])CC2 ZINC000833062334 600827471 /nfs/dbraw/zinc/82/74/71/600827471.db2.gz MYUGCVAMCFXVDN-UHFFFAOYSA-N -1 0 364.383 -0.311 20 0 FBADRM Cn1ncc2c1ncnc2N1CCN(C(=O)CN(CC(=O)[O-])C2CC2)CC1 ZINC000833062443 601580179 /nfs/dbraw/zinc/58/01/79/601580179.db2.gz PFGINIKVLFTFNX-UHFFFAOYSA-N -1 0 373.417 -0.439 20 0 FBADRM Cn1ncc2c1ncnc2N1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000833062798 601274308 /nfs/dbraw/zinc/27/43/08/601274308.db2.gz QQQXMSMCWZPMEM-UHFFFAOYSA-N -1 0 371.361 -0.998 20 0 FBADRM Cn1ncnc1CS(=O)(=O)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000833062931 661159004 /nfs/dbraw/zinc/15/90/04/661159004.db2.gz XYNMNJQXESGHQZ-LLVKDONJSA-N -1 0 355.372 -0.132 20 0 FBADRM Cn1ncnc1CS(=O)(=O)C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000833062933 661159100 /nfs/dbraw/zinc/15/91/00/661159100.db2.gz XYNMNJQXESGHQZ-NSHDSACASA-N -1 0 355.372 -0.132 20 0 FBADRM NC(=O)C1(C(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)CCC1 ZINC000833078172 601991696 /nfs/dbraw/zinc/99/16/96/601991696.db2.gz JFQIYNHDQWKGCA-UHFFFAOYSA-N -1 0 368.411 -0.042 20 0 FBADRM NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833078206 600725902 /nfs/dbraw/zinc/72/59/02/600725902.db2.gz KIGYDJTZDMUMTE-GFCCVEGCSA-N -1 0 352.372 -0.657 20 0 FBADRM NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833078207 600725903 /nfs/dbraw/zinc/72/59/03/600725903.db2.gz KIGYDJTZDMUMTE-LBPRGKRZSA-N -1 0 352.372 -0.657 20 0 FBADRM NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000833078485 601273585 /nfs/dbraw/zinc/27/35/85/601273585.db2.gz NZFKHJUQWDYKRL-HNNXBMFYSA-N -1 0 372.385 -0.653 20 0 FBADRM NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000833078486 601273693 /nfs/dbraw/zinc/27/36/93/601273693.db2.gz NZFKHJUQWDYKRL-OAHLLOKOSA-N -1 0 372.385 -0.653 20 0 FBADRM NC(=O)C1(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)[O-])c2)CCC1 ZINC000833078941 601372974 /nfs/dbraw/zinc/37/29/74/601372974.db2.gz UBYSWBNCUMYTBC-UHFFFAOYSA-N -1 0 355.372 -0.356 20 0 FBADRM NC(=O)[C@H]1CCCN1C1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC000833079238 601512166 /nfs/dbraw/zinc/51/21/66/601512166.db2.gz FCTORYHVECUVAA-CYBMUJFWSA-N -1 0 373.475 -0.015 20 0 FBADRM NC(=O)[C@@H]1CCCN1C1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC000833079240 601512196 /nfs/dbraw/zinc/51/21/96/601512196.db2.gz FCTORYHVECUVAA-ZDUSSCGKSA-N -1 0 373.475 -0.015 20 0 FBADRM NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCO1 ZINC000833079798 600994904 /nfs/dbraw/zinc/99/49/04/600994904.db2.gz IJHDZDQVZAGJND-SSDOTTSWSA-N -1 0 350.299 -0.462 20 0 FBADRM NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCO1 ZINC000833079893 600994893 /nfs/dbraw/zinc/99/48/93/600994893.db2.gz IJHDZDQVZAGJND-ZETCQYMHSA-N -1 0 350.299 -0.462 20 0 FBADRM NC(=O)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000833080091 661159093 /nfs/dbraw/zinc/15/90/93/661159093.db2.gz LQWXTWPIBXMLEV-LLVKDONJSA-N -1 0 364.383 -0.179 20 0 FBADRM NC(=O)[C@H]1Cc2ccccc2N(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000833080092 661159048 /nfs/dbraw/zinc/15/90/48/661159048.db2.gz LQWXTWPIBXMLEV-NSHDSACASA-N -1 0 364.383 -0.179 20 0 FBADRM NC(=O)[C@@H]1c2ccccc2CCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833080278 600742908 /nfs/dbraw/zinc/74/29/08/600742908.db2.gz ONMXJSOPKRMFEA-AWEZNQCLSA-N -1 0 364.383 -0.259 20 0 FBADRM NC(=O)[C@H]1c2ccccc2CCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833080279 600742759 /nfs/dbraw/zinc/74/27/59/600742759.db2.gz ONMXJSOPKRMFEA-CQSZACIVSA-N -1 0 364.383 -0.259 20 0 FBADRM NC(=O)[C@H]1CN(CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)CCO1 ZINC000833080557 601876990 /nfs/dbraw/zinc/87/69/90/601876990.db2.gz PKEBODGPUXDZRA-GFCCVEGCSA-N -1 0 362.342 -0.703 20 0 FBADRM NC(=O)[C@@H]1CN(CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)CCO1 ZINC000833080558 601877338 /nfs/dbraw/zinc/87/73/38/601877338.db2.gz PKEBODGPUXDZRA-LBPRGKRZSA-N -1 0 362.342 -0.703 20 0 FBADRM NC(=O)[C@H]1CC(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)=NN1c1ccccc1 ZINC000833080672 601741773 /nfs/dbraw/zinc/74/17/73/601741773.db2.gz CRKZBSKFRLBZRE-GXTWGEPZSA-N -1 0 360.370 -0.191 20 0 FBADRM NC(=O)COc1ccc(CNC(=O)CN2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000833080715 601569482 /nfs/dbraw/zinc/56/94/82/601569482.db2.gz ABPUETWLRIUPNI-AWEZNQCLSA-N -1 0 365.386 -0.658 20 0 FBADRM NC(=O)COc1ccc(CNC(=O)CN2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000833080717 601569601 /nfs/dbraw/zinc/56/96/01/601569601.db2.gz ABPUETWLRIUPNI-CQSZACIVSA-N -1 0 365.386 -0.658 20 0 FBADRM NC(=O)CN1CCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000833080744 600793282 /nfs/dbraw/zinc/79/32/82/600793282.db2.gz AQMOZHHGVMSBOR-LLVKDONJSA-N -1 0 352.416 -0.346 20 0 FBADRM NC(=O)CN1CCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000833080745 600793039 /nfs/dbraw/zinc/79/30/39/600793039.db2.gz AQMOZHHGVMSBOR-NSHDSACASA-N -1 0 352.416 -0.346 20 0 FBADRM NC(=O)COc1ccc(OS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000833080855 600756815 /nfs/dbraw/zinc/75/68/15/600756815.db2.gz FFHPDDWCMUVMKG-UHFFFAOYSA-N -1 0 355.328 -0.401 20 0 FBADRM NC(=O)[C@@H]1CC(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)=NN1c1ccccc1 ZINC000833080884 601741749 /nfs/dbraw/zinc/74/17/49/601741749.db2.gz CRKZBSKFRLBZRE-JSGCOSHPSA-N -1 0 360.370 -0.191 20 0 FBADRM NC(=O)[C@@H]1CC(C(=O)N2CCO[C@H](CC(=O)[O-])C2)=NN1c1ccccc1 ZINC000833080886 601741834 /nfs/dbraw/zinc/74/18/34/601741834.db2.gz CRKZBSKFRLBZRE-OCCSQVGLSA-N -1 0 360.370 -0.191 20 0 FBADRM NC(=O)[C@H]1CC(C(=O)N2CCO[C@H](CC(=O)[O-])C2)=NN1c1ccccc1 ZINC000833080888 601741930 /nfs/dbraw/zinc/74/19/30/601741930.db2.gz CRKZBSKFRLBZRE-TZMCWYRMSA-N -1 0 360.370 -0.191 20 0 FBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)O1 ZINC000833080954 602042296 /nfs/dbraw/zinc/04/22/96/602042296.db2.gz DHAFKPPZWZYOMT-CHWSQXEVSA-N -1 0 363.370 -0.209 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)O1 ZINC000833080956 602042233 /nfs/dbraw/zinc/04/22/33/602042233.db2.gz DHAFKPPZWZYOMT-OLZOCXBDSA-N -1 0 363.370 -0.209 20 0 FBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)O1 ZINC000833080958 602042263 /nfs/dbraw/zinc/04/22/63/602042263.db2.gz DHAFKPPZWZYOMT-QWHCGFSZSA-N -1 0 363.370 -0.209 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)O1 ZINC000833080960 602042218 /nfs/dbraw/zinc/04/22/18/602042218.db2.gz DHAFKPPZWZYOMT-STQMWFEESA-N -1 0 363.370 -0.209 20 0 FBADRM NC(=O)C1(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCOCC1 ZINC000833081003 604411948 /nfs/dbraw/zinc/41/19/48/604411948.db2.gz DZMUZVOWGZKUEF-UHFFFAOYSA-N -1 0 364.326 -0.024 20 0 FBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)O1 ZINC000833081108 602042245 /nfs/dbraw/zinc/04/22/45/602042245.db2.gz GCIPVEWOXMJBRV-GZMMTYOYSA-N -1 0 353.306 -0.389 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)O1 ZINC000833081111 602042306 /nfs/dbraw/zinc/04/23/06/602042306.db2.gz GCIPVEWOXMJBRV-KCJUWKMLSA-N -1 0 353.306 -0.389 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)O1 ZINC000833081112 602042053 /nfs/dbraw/zinc/04/20/53/602042053.db2.gz GCIPVEWOXMJBRV-KWQFWETISA-N -1 0 353.306 -0.389 20 0 FBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)O1 ZINC000833081114 602042163 /nfs/dbraw/zinc/04/21/63/602042163.db2.gz GCIPVEWOXMJBRV-LDYMZIIASA-N -1 0 353.306 -0.389 20 0 FBADRM NC(=O)CCNC(=O)c1cccc(NC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000833081129 601282695 /nfs/dbraw/zinc/28/26/95/601282695.db2.gz CFTOEBWQNGRKHY-UHFFFAOYSA-N -1 0 360.330 -0.780 20 0 FBADRM NC(=O)CCOc1ccc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000833081144 601482532 /nfs/dbraw/zinc/48/25/32/601482532.db2.gz CIAJRQDZPNLTIK-INIZCTEOSA-N -1 0 367.333 -0.096 20 0 FBADRM NC(=O)CCOc1ccc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000833081145 601482590 /nfs/dbraw/zinc/48/25/90/601482590.db2.gz CIAJRQDZPNLTIK-MRXNPFEDSA-N -1 0 367.333 -0.096 20 0 FBADRM NC(=O)COc1cccc(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000833081175 600784401 /nfs/dbraw/zinc/78/44/01/600784401.db2.gz HWSMWIWHLLUXGP-UHFFFAOYSA-N -1 0 371.415 -0.318 20 0 FBADRM NC(=O)COc1ccc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000833081248 601482805 /nfs/dbraw/zinc/48/28/05/601482805.db2.gz IMZYRWLXZRIUMJ-HNNXBMFYSA-N -1 0 353.306 -0.486 20 0 FBADRM NC(=O)COc1ccc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000833081249 601482765 /nfs/dbraw/zinc/48/27/65/601482765.db2.gz IMZYRWLXZRIUMJ-OAHLLOKOSA-N -1 0 353.306 -0.486 20 0 FBADRM NC(=O)COc1cccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000833081272 601495196 /nfs/dbraw/zinc/49/51/96/601495196.db2.gz IYFBMPOGXUZSCB-GFCCVEGCSA-N -1 0 365.342 -0.809 20 0 FBADRM NC(=O)COc1cccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000833081273 601495205 /nfs/dbraw/zinc/49/52/05/601495205.db2.gz IYFBMPOGXUZSCB-LBPRGKRZSA-N -1 0 365.342 -0.809 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)N(CC(=O)[O-])C2CCCC2)o1 ZINC000833081274 601870494 /nfs/dbraw/zinc/87/04/94/601870494.db2.gz IYKQFXDVULLPHE-UHFFFAOYSA-N -1 0 373.387 -0.487 20 0 FBADRM NC(=O)CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000833081287 600875785 /nfs/dbraw/zinc/87/57/85/600875785.db2.gz ZHUMAQFSRYECRO-UHFFFAOYSA-N -1 0 361.401 -0.845 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2CC(=O)[O-])o1 ZINC000833081320 604748976 /nfs/dbraw/zinc/74/89/76/604748976.db2.gz JZPLLKPXTACOEC-MRVPVSSYSA-N -1 0 359.360 -0.878 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2CC(=O)[O-])o1 ZINC000833081321 604748776 /nfs/dbraw/zinc/74/87/76/604748776.db2.gz JZPLLKPXTACOEC-QMMMGPOBSA-N -1 0 359.360 -0.878 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)NCC2(C(=O)[O-])CCCC2)o1 ZINC000833081328 601707877 /nfs/dbraw/zinc/70/78/77/601707877.db2.gz KKJAQOYZEWTBKJ-UHFFFAOYSA-N -1 0 373.387 -0.582 20 0 FBADRM NC(=O)CNC(=O)c1ccc(OS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000833081337 600750100 /nfs/dbraw/zinc/75/01/00/600750100.db2.gz KTEVSDSTJAAMGD-UHFFFAOYSA-N -1 0 367.339 -0.304 20 0 FBADRM NC(=O)CNC(=O)c1cccc(OS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000833081353 600750196 /nfs/dbraw/zinc/75/01/96/600750196.db2.gz KZUWEHNPCANVPA-UHFFFAOYSA-N -1 0 367.339 -0.304 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)O1 ZINC000833081491 602042354 /nfs/dbraw/zinc/04/23/54/602042354.db2.gz HGDJFJXKALQUBY-NEPJUHHUSA-N -1 0 365.342 -0.762 20 0 FBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)O1 ZINC000833081494 602042052 /nfs/dbraw/zinc/04/20/52/602042052.db2.gz HGDJFJXKALQUBY-NWDGAFQWSA-N -1 0 365.342 -0.762 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)O1 ZINC000833081495 602042273 /nfs/dbraw/zinc/04/22/73/602042273.db2.gz HGDJFJXKALQUBY-RYUDHWBXSA-N -1 0 365.342 -0.762 20 0 FBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)O1 ZINC000833081496 602042088 /nfs/dbraw/zinc/04/20/88/602042088.db2.gz HGDJFJXKALQUBY-VXGBXAGGSA-N -1 0 365.342 -0.762 20 0 FBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)O1 ZINC000833081521 601867416 /nfs/dbraw/zinc/86/74/16/601867416.db2.gz HXMUEDLPZWJLEM-GZMMTYOYSA-N -1 0 353.306 -0.389 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)O1 ZINC000833081522 601867429 /nfs/dbraw/zinc/86/74/29/601867429.db2.gz HXMUEDLPZWJLEM-KCJUWKMLSA-N -1 0 353.306 -0.389 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)O1 ZINC000833081523 601867431 /nfs/dbraw/zinc/86/74/31/601867431.db2.gz HXMUEDLPZWJLEM-KWQFWETISA-N -1 0 353.306 -0.389 20 0 FBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)O1 ZINC000833081524 601867657 /nfs/dbraw/zinc/86/76/57/601867657.db2.gz HXMUEDLPZWJLEM-LDYMZIIASA-N -1 0 353.306 -0.389 20 0 FBADRM NC(=O)COc1cccc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000833081578 600784424 /nfs/dbraw/zinc/78/44/24/600784424.db2.gz MAYGGTHFHOVVCV-UHFFFAOYSA-N -1 0 368.371 -0.690 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)[O-])C2CC2)o1 ZINC000833081587 601522097 /nfs/dbraw/zinc/52/20/97/601522097.db2.gz MPBOHSPRTFRYGL-MRVPVSSYSA-N -1 0 359.360 -0.974 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)o1 ZINC000833081591 601522182 /nfs/dbraw/zinc/52/21/82/601522182.db2.gz MPBOHSPRTFRYGL-QMMMGPOBSA-N -1 0 359.360 -0.974 20 0 FBADRM NC(=O)COc1cccc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000833081610 601483294 /nfs/dbraw/zinc/48/32/94/601483294.db2.gz NGNDLWOUDSTPKM-HNNXBMFYSA-N -1 0 353.306 -0.486 20 0 FBADRM NC(=O)COc1cccc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000833081612 601483281 /nfs/dbraw/zinc/48/32/81/601483281.db2.gz NGNDLWOUDSTPKM-OAHLLOKOSA-N -1 0 353.306 -0.486 20 0 FBADRM NC(=O)[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2c[n-]c(C(=O)[O-])c2)CC1 ZINC000833081695 600731065 /nfs/dbraw/zinc/73/10/65/600731065.db2.gz WILJOSMJOBBGPJ-CYBMUJFWSA-N -1 0 370.431 -0.184 20 0 FBADRM NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2c[n-]c(C(=O)[O-])c2)CC1 ZINC000833081697 600731188 /nfs/dbraw/zinc/73/11/88/600731188.db2.gz WILJOSMJOBBGPJ-ZDUSSCGKSA-N -1 0 370.431 -0.184 20 0 FBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)Nc2ccn(CC(=O)[O-])n2)cc1 ZINC000833081724 601061473 /nfs/dbraw/zinc/06/14/73/601061473.db2.gz PPUMSUWCWMMOJB-UHFFFAOYSA-N -1 0 374.357 -0.496 20 0 FBADRM NC(=O)COc1ccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000833081741 601493691 /nfs/dbraw/zinc/49/36/91/601493691.db2.gz QAZFKHMIGCCFKU-GFCCVEGCSA-N -1 0 365.342 -0.809 20 0 FBADRM NC(=O)COc1ccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000833081744 601493451 /nfs/dbraw/zinc/49/34/51/601493451.db2.gz QAZFKHMIGCCFKU-LBPRGKRZSA-N -1 0 365.342 -0.809 20 0 FBADRM NC(=O)COc1ccc(CNC(=O)CN2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000833081748 601550037 /nfs/dbraw/zinc/55/00/37/601550037.db2.gz QGBBTQSEPINLIK-INIZCTEOSA-N -1 0 353.350 -0.335 20 0 FBADRM NC(=O)COc1ccc(CNC(=O)CN2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000833081750 601550025 /nfs/dbraw/zinc/55/00/25/601550025.db2.gz QGBBTQSEPINLIK-MRXNPFEDSA-N -1 0 353.350 -0.335 20 0 FBADRM NC(=O)C1(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CCOCC1 ZINC000833081897 604412103 /nfs/dbraw/zinc/41/21/03/604412103.db2.gz JXICBZYUEWFUIK-UHFFFAOYSA-N -1 0 358.372 -0.537 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)O1 ZINC000833081908 601961159 /nfs/dbraw/zinc/96/11/59/601961159.db2.gz KJKJDMASIHJFSA-AAEUAGOBSA-N -1 0 372.399 -0.149 20 0 FBADRM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)O1 ZINC000833081909 601961435 /nfs/dbraw/zinc/96/14/35/601961435.db2.gz KJKJDMASIHJFSA-DGCLKSJQSA-N -1 0 372.399 -0.149 20 0 FBADRM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)O1 ZINC000833081910 601961481 /nfs/dbraw/zinc/96/14/81/601961481.db2.gz KJKJDMASIHJFSA-WCQYABFASA-N -1 0 372.399 -0.149 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)O1 ZINC000833081911 601961270 /nfs/dbraw/zinc/96/12/70/601961270.db2.gz KJKJDMASIHJFSA-YPMHNXCESA-N -1 0 372.399 -0.149 20 0 FBADRM NC(=O)COc1cccc(CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000833082117 601779487 /nfs/dbraw/zinc/77/94/87/601779487.db2.gz WACAIPYIJYDKRF-CYBMUJFWSA-N -1 0 351.359 -0.064 20 0 FBADRM NC(=O)COc1cccc(CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000833082118 601779443 /nfs/dbraw/zinc/77/94/43/601779443.db2.gz WACAIPYIJYDKRF-ZDUSSCGKSA-N -1 0 351.359 -0.064 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)O1 ZINC000833082269 602042338 /nfs/dbraw/zinc/04/23/38/602042338.db2.gz LMYQZRFIGSKSNY-NEPJUHHUSA-N -1 0 365.342 -0.762 20 0 FBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)O1 ZINC000833082271 602042224 /nfs/dbraw/zinc/04/22/24/602042224.db2.gz LMYQZRFIGSKSNY-NWDGAFQWSA-N -1 0 365.342 -0.762 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)O1 ZINC000833082273 602042312 /nfs/dbraw/zinc/04/23/12/602042312.db2.gz LMYQZRFIGSKSNY-RYUDHWBXSA-N -1 0 365.342 -0.762 20 0 FBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)O1 ZINC000833082275 602042212 /nfs/dbraw/zinc/04/22/12/602042212.db2.gz LMYQZRFIGSKSNY-VXGBXAGGSA-N -1 0 365.342 -0.762 20 0 FBADRM NC(=O)C1(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)CCOCC1 ZINC000833082283 604411897 /nfs/dbraw/zinc/41/18/97/604411897.db2.gz LQCHUWXSCOZVMS-UHFFFAOYSA-N -1 0 364.326 -0.024 20 0 FBADRM NC(=O)[C@H]1CC(C(=O)N2CCOC[C@@H]2C(=O)[O-])=NN1c1ccc(F)cc1 ZINC000833082303 601605227 /nfs/dbraw/zinc/60/52/27/601605227.db2.gz LTETVVDHSMBYCH-CHWSQXEVSA-N -1 0 364.333 -0.442 20 0 FBADRM NC(=O)[C@H]1CC(C(=O)N2CCOC[C@H]2C(=O)[O-])=NN1c1ccc(F)cc1 ZINC000833082305 601605071 /nfs/dbraw/zinc/60/50/71/601605071.db2.gz LTETVVDHSMBYCH-OLZOCXBDSA-N -1 0 364.333 -0.442 20 0 FBADRM NC(=O)[C@@H]1CC(C(=O)N2CCOC[C@@H]2C(=O)[O-])=NN1c1ccc(F)cc1 ZINC000833082307 601605078 /nfs/dbraw/zinc/60/50/78/601605078.db2.gz LTETVVDHSMBYCH-QWHCGFSZSA-N -1 0 364.333 -0.442 20 0 FBADRM NC(=O)[C@@H]1CC(C(=O)N2CCOC[C@H]2C(=O)[O-])=NN1c1ccc(F)cc1 ZINC000833082309 601605012 /nfs/dbraw/zinc/60/50/12/601605012.db2.gz LTETVVDHSMBYCH-STQMWFEESA-N -1 0 364.333 -0.442 20 0 FBADRM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)O1 ZINC000833082335 601961432 /nfs/dbraw/zinc/96/14/32/601961432.db2.gz MAPZRWKYWBBTHO-CMPLNLGQSA-N -1 0 358.372 -0.539 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)O1 ZINC000833082337 601961286 /nfs/dbraw/zinc/96/12/86/601961286.db2.gz MAPZRWKYWBBTHO-JQWIXIFHSA-N -1 0 358.372 -0.539 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)O1 ZINC000833082338 601961512 /nfs/dbraw/zinc/96/15/12/601961512.db2.gz MAPZRWKYWBBTHO-PWSUYJOCSA-N -1 0 358.372 -0.539 20 0 FBADRM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)O1 ZINC000833082339 601961142 /nfs/dbraw/zinc/96/11/42/601961142.db2.gz MAPZRWKYWBBTHO-ZYHUDNBSSA-N -1 0 358.372 -0.539 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)NCCSCC(=O)[O-])cc1 ZINC000833082379 600879083 /nfs/dbraw/zinc/87/90/83/600879083.db2.gz AKSJLNDNWFYGQW-UHFFFAOYSA-N -1 0 360.413 -0.507 20 0 FBADRM NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833082435 600747288 /nfs/dbraw/zinc/74/72/88/600747288.db2.gz RPLPOHZRCXRCSB-UHFFFAOYSA-N -1 0 352.372 -0.356 20 0 FBADRM NC(=O)CCOc1ccccc1NC(=O)C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000833082463 601482793 /nfs/dbraw/zinc/48/27/93/601482793.db2.gz RZFHHFWMWRFRNU-INIZCTEOSA-N -1 0 367.333 -0.096 20 0 FBADRM NC(=O)CCOc1ccccc1NC(=O)C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000833082465 601482744 /nfs/dbraw/zinc/48/27/44/601482744.db2.gz RZFHHFWMWRFRNU-MRXNPFEDSA-N -1 0 367.333 -0.096 20 0 FBADRM NC(=O)CSCC(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833082504 601110929 /nfs/dbraw/zinc/11/09/29/601110929.db2.gz CRGVVROSIDWBGZ-MRVPVSSYSA-N -1 0 357.413 -0.114 20 0 FBADRM NC(=O)CSCC(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833082507 601110966 /nfs/dbraw/zinc/11/09/66/601110966.db2.gz CRGVVROSIDWBGZ-QMMMGPOBSA-N -1 0 357.413 -0.114 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)[O-])C2CC2)cc1 ZINC000833082519 601531898 /nfs/dbraw/zinc/53/18/98/601531898.db2.gz CWWMIVJIYZJPNK-GFCCVEGCSA-N -1 0 354.384 -0.071 20 0 FBADRM NC(=O)[C@@H]1CC(C(=O)N[C@]2(C(=O)[O-])CCOC2)=NN1c1ccc(F)cc1 ZINC000833082520 601736503 /nfs/dbraw/zinc/73/65/03/601736503.db2.gz NXBZHSXUQJIFDA-BLLLJJGKSA-N -1 0 364.333 -0.394 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC000833082522 601531994 /nfs/dbraw/zinc/53/19/94/601531994.db2.gz CWWMIVJIYZJPNK-LBPRGKRZSA-N -1 0 354.384 -0.071 20 0 FBADRM NC(=O)[C@@H]1CC(C(=O)N[C@@]2(C(=O)[O-])CCOC2)=NN1c1ccc(F)cc1 ZINC000833082524 601736422 /nfs/dbraw/zinc/73/64/22/601736422.db2.gz NXBZHSXUQJIFDA-LRDDRELGSA-N -1 0 364.333 -0.394 20 0 FBADRM NC(=O)[C@H]1CC(C(=O)N[C@]2(C(=O)[O-])CCOC2)=NN1c1ccc(F)cc1 ZINC000833082526 601736432 /nfs/dbraw/zinc/73/64/32/601736432.db2.gz NXBZHSXUQJIFDA-MLGOLLRUSA-N -1 0 364.333 -0.394 20 0 FBADRM NC(=O)[C@H]1CC(C(=O)N[C@@]2(C(=O)[O-])CCOC2)=NN1c1ccc(F)cc1 ZINC000833082529 601736313 /nfs/dbraw/zinc/73/63/13/601736313.db2.gz NXBZHSXUQJIFDA-WBMJQRKESA-N -1 0 364.333 -0.394 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)O1 ZINC000833082555 602042259 /nfs/dbraw/zinc/04/22/59/602042259.db2.gz OIMCSLPIZDRWSY-KBUNVGBDSA-N -1 0 371.296 -0.249 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)O1 ZINC000833082560 602042395 /nfs/dbraw/zinc/04/23/95/602042395.db2.gz OIMCSLPIZDRWSY-KGFZYKRKSA-N -1 0 371.296 -0.249 20 0 FBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)O1 ZINC000833082562 602042032 /nfs/dbraw/zinc/04/20/32/602042032.db2.gz OIMCSLPIZDRWSY-KSBSHMNSSA-N -1 0 371.296 -0.249 20 0 FBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)O1 ZINC000833082564 602042207 /nfs/dbraw/zinc/04/22/07/602042207.db2.gz OIMCSLPIZDRWSY-UPONEAKYSA-N -1 0 371.296 -0.249 20 0 FBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)O1 ZINC000833082626 602042175 /nfs/dbraw/zinc/04/21/75/602042175.db2.gz PERRZVIFNXULQP-GZMMTYOYSA-N -1 0 353.306 -0.389 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)O1 ZINC000833082627 602042158 /nfs/dbraw/zinc/04/21/58/602042158.db2.gz PERRZVIFNXULQP-KCJUWKMLSA-N -1 0 353.306 -0.389 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)O1 ZINC000833082628 602042383 /nfs/dbraw/zinc/04/23/83/602042383.db2.gz PERRZVIFNXULQP-KWQFWETISA-N -1 0 353.306 -0.389 20 0 FBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)O1 ZINC000833082629 602042040 /nfs/dbraw/zinc/04/20/40/602042040.db2.gz PERRZVIFNXULQP-LDYMZIIASA-N -1 0 353.306 -0.389 20 0 FBADRM NC(=O)CCNC(=O)c1ccccc1NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000833082786 601199800 /nfs/dbraw/zinc/19/98/00/601199800.db2.gz ZXOMKMKYKXROAQ-UHFFFAOYSA-N -1 0 360.330 -0.780 20 0 FBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)NCc2cccc(OCC(=O)[O-])c2)O1 ZINC000833082805 601896695 /nfs/dbraw/zinc/89/66/95/601896695.db2.gz RAGBOYJXXVAWNA-CHWSQXEVSA-N -1 0 351.359 -0.018 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)NCc2cccc(OCC(=O)[O-])c2)O1 ZINC000833082807 601897113 /nfs/dbraw/zinc/89/71/13/601897113.db2.gz RAGBOYJXXVAWNA-OLZOCXBDSA-N -1 0 351.359 -0.018 20 0 FBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)NCc2cccc(OCC(=O)[O-])c2)O1 ZINC000833082808 601897157 /nfs/dbraw/zinc/89/71/57/601897157.db2.gz RAGBOYJXXVAWNA-QWHCGFSZSA-N -1 0 351.359 -0.018 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)NCc2cccc(OCC(=O)[O-])c2)O1 ZINC000833082810 601896753 /nfs/dbraw/zinc/89/67/53/601896753.db2.gz RAGBOYJXXVAWNA-STQMWFEESA-N -1 0 351.359 -0.018 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000833082835 600874251 /nfs/dbraw/zinc/87/42/51/600874251.db2.gz HSYYSVYIBBEOAH-LLVKDONJSA-N -1 0 354.384 -0.118 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000833082839 600874797 /nfs/dbraw/zinc/87/47/97/600874797.db2.gz HSYYSVYIBBEOAH-NSHDSACASA-N -1 0 354.384 -0.118 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)O1 ZINC000833082885 601986645 /nfs/dbraw/zinc/98/66/45/601986645.db2.gz SFJVQDMOJGCNEP-NEPJUHHUSA-N -1 0 364.358 -0.345 20 0 FBADRM NC(=O)[C@H]1CC[C@@H](CNC(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)O1 ZINC000833082887 601986539 /nfs/dbraw/zinc/98/65/39/601986539.db2.gz SFJVQDMOJGCNEP-NWDGAFQWSA-N -1 0 364.358 -0.345 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)O1 ZINC000833082889 601986385 /nfs/dbraw/zinc/98/63/85/601986385.db2.gz SFJVQDMOJGCNEP-RYUDHWBXSA-N -1 0 364.358 -0.345 20 0 FBADRM NC(=O)[C@H]1CC[C@H](CNC(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)O1 ZINC000833082890 601986412 /nfs/dbraw/zinc/98/64/12/601986412.db2.gz SFJVQDMOJGCNEP-VXGBXAGGSA-N -1 0 364.358 -0.345 20 0 FBADRM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)O1 ZINC000833082974 601959910 /nfs/dbraw/zinc/95/99/10/601959910.db2.gz UOAAHHNJRMSYIG-HTRCEHHLSA-N -1 0 364.326 -0.026 20 0 FBADRM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)O1 ZINC000833082975 601959913 /nfs/dbraw/zinc/95/99/13/601959913.db2.gz UOAAHHNJRMSYIG-POYBYMJQSA-N -1 0 364.326 -0.026 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)O1 ZINC000833082976 601959727 /nfs/dbraw/zinc/95/97/27/601959727.db2.gz UOAAHHNJRMSYIG-SVRRBLITSA-N -1 0 364.326 -0.026 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)O1 ZINC000833082977 601959849 /nfs/dbraw/zinc/95/98/49/601959849.db2.gz UOAAHHNJRMSYIG-XPUUQOCRSA-N -1 0 364.326 -0.026 20 0 FBADRM NC(=O)C1(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)CCOCC1 ZINC000833083108 604411840 /nfs/dbraw/zinc/41/18/40/604411840.db2.gz XFLCWARZEREEJH-UHFFFAOYSA-N -1 0 372.399 -0.147 20 0 FBADRM NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CN(C(=O)[O-])C1 ZINC000833083137 604954136 /nfs/dbraw/zinc/95/41/36/604954136.db2.gz OITIAENAYTXXKU-LBPRGKRZSA-N -1 0 364.358 -0.365 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000833083141 601711826 /nfs/dbraw/zinc/71/18/26/601711826.db2.gz OOVUWNHLSQUYSQ-AWEZNQCLSA-N -1 0 358.347 -0.416 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000833083142 601711785 /nfs/dbraw/zinc/71/17/85/601711785.db2.gz OOVUWNHLSQUYSQ-CQSZACIVSA-N -1 0 358.347 -0.416 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)O1 ZINC000833083228 601961219 /nfs/dbraw/zinc/96/12/19/601961219.db2.gz ZHSUZDBUAKIHKB-LDWIPMOCSA-N -1 0 364.326 -0.026 20 0 FBADRM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)O1 ZINC000833083229 601961325 /nfs/dbraw/zinc/96/13/25/601961325.db2.gz ZHSUZDBUAKIHKB-LHLIQPBNSA-N -1 0 364.326 -0.026 20 0 FBADRM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)O1 ZINC000833083230 601961068 /nfs/dbraw/zinc/96/10/68/601961068.db2.gz ZHSUZDBUAKIHKB-QUBYGPBYSA-N -1 0 364.326 -0.026 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)O1 ZINC000833083231 601961074 /nfs/dbraw/zinc/96/10/74/601961074.db2.gz ZHSUZDBUAKIHKB-WKEGUHRASA-N -1 0 364.326 -0.026 20 0 FBADRM NC(=O)Cn1cc(C(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)nn1 ZINC000833083380 600882356 /nfs/dbraw/zinc/88/23/56/600882356.db2.gz WKYLMEGHTBLRAG-UHFFFAOYSA-N -1 0 353.285 -0.231 20 0 FBADRM NC(=O)NC(=O)CCNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000833083451 601933172 /nfs/dbraw/zinc/93/31/72/601933172.db2.gz AAMZIJDTBWHVAV-UHFFFAOYSA-N -1 0 351.319 -0.793 20 0 FBADRM NC(=O)Cn1cc(C(=O)OCC(=O)Nc2ccsc2C(=O)[O-])nn1 ZINC000833083561 600712879 /nfs/dbraw/zinc/71/28/79/600712879.db2.gz DKADILUIAXCWCS-UHFFFAOYSA-N -1 0 353.316 -0.681 20 0 FBADRM NC(=O)NC(=O)CCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833083666 602210530 /nfs/dbraw/zinc/21/05/30/602210530.db2.gz HPEMUBLJDBEECC-UHFFFAOYSA-N -1 0 351.287 -0.474 20 0 FBADRM NC(=O)NC(=O)CCNS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000833083684 602210560 /nfs/dbraw/zinc/21/05/60/602210560.db2.gz IEHCPVQGDIRRDL-UHFFFAOYSA-N -1 0 359.360 -0.597 20 0 FBADRM NC(=O)N1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC000833083799 601276874 /nfs/dbraw/zinc/27/68/74/601276874.db2.gz MGHVNQHKZRTHCA-NSHDSACASA-N -1 0 370.387 -0.469 20 0 FBADRM NC(=O)NC(=O)CCNC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000833083899 601933147 /nfs/dbraw/zinc/93/31/47/601933147.db2.gz QEXFCTQTZOMRDX-UHFFFAOYSA-N -1 0 365.346 -0.402 20 0 FBADRM NC(=O)N1CCN2C(=O)N(CCOc3cccc(C(=O)[O-])c3)C(=O)[C@H]2C1 ZINC000833083948 601135527 /nfs/dbraw/zinc/13/55/27/601135527.db2.gz QZSLJXUUSKNHJL-GFCCVEGCSA-N -1 0 362.342 -0.209 20 0 FBADRM NC(=O)N1CCN2C(=O)N(CCOc3cccc(C(=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000833083950 601135577 /nfs/dbraw/zinc/13/55/77/601135577.db2.gz QZSLJXUUSKNHJL-LBPRGKRZSA-N -1 0 362.342 -0.209 20 0 FBADRM NC(=O)c1ccc(CNC(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)cn1 ZINC000833083954 601570069 /nfs/dbraw/zinc/57/00/69/601570069.db2.gz CMJJJQZCYRIYKZ-UHFFFAOYSA-N -1 0 372.337 -0.101 20 0 FBADRM NC(=O)NC(=O)CCNC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000833083963 601933250 /nfs/dbraw/zinc/93/32/50/601933250.db2.gz RMBGXQIBKMAWJH-UHFFFAOYSA-N -1 0 365.346 -0.864 20 0 FBADRM NC(=O)NC(=O)CCNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000833083972 602210831 /nfs/dbraw/zinc/21/08/31/602210831.db2.gz RPFBKROUNFEUGR-UHFFFAOYSA-N -1 0 351.287 -0.474 20 0 FBADRM NC(=O)c1ccc(C(F)(F)F)n(CCc2cn(CC(=O)[O-])nn2)c1=O ZINC000833084027 604785993 /nfs/dbraw/zinc/78/59/93/604785993.db2.gz GJHICZOUZXCGJN-UHFFFAOYSA-N -1 0 359.264 -0.115 20 0 FBADRM NC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)cn1 ZINC000833084045 601570273 /nfs/dbraw/zinc/57/02/73/601570273.db2.gz HIAFYEAFZFZTRA-UHFFFAOYSA-N -1 0 372.337 -0.101 20 0 FBADRM NC(=O)c1cc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)ccc1F ZINC000833084163 601494544 /nfs/dbraw/zinc/49/45/44/601494544.db2.gz BBNODOAIEPTKQG-SECBINFHSA-N -1 0 353.306 -0.435 20 0 FBADRM NC(=O)c1cc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)ccc1F ZINC000833084164 601494536 /nfs/dbraw/zinc/49/45/36/601494536.db2.gz BBNODOAIEPTKQG-VIFPVBQESA-N -1 0 353.306 -0.435 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)NCC(=O)N(CC(=O)[O-])C2CCCC2)c[nH]1 ZINC000833084253 601871744 /nfs/dbraw/zinc/87/17/44/601871744.db2.gz KVQODMOUULBHBP-UHFFFAOYSA-N -1 0 372.403 -0.752 20 0 FBADRM NC(=O)c1ccc(CN2CCN(C(=O)Cn3cc(C(=O)[O-])nn3)CC2)cc1 ZINC000833084425 601276965 /nfs/dbraw/zinc/27/69/65/601276965.db2.gz NIJGTNGBSNULGB-UHFFFAOYSA-N -1 0 372.385 -0.580 20 0 FBADRM NC(=O)c1ccc(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)o1 ZINC000833084504 601484032 /nfs/dbraw/zinc/48/40/32/601484032.db2.gz PLVYVJLHPIEYHW-CYBMUJFWSA-N -1 0 373.321 -0.127 20 0 FBADRM NC(=O)c1ccc(CNC(=O)C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)o1 ZINC000833084506 601483855 /nfs/dbraw/zinc/48/38/55/601483855.db2.gz PLVYVJLHPIEYHW-ZDUSSCGKSA-N -1 0 373.321 -0.127 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)NCC(=O)Nc2cc(C(=O)[O-])cs2)c[nH]1 ZINC000833084674 604317416 /nfs/dbraw/zinc/31/74/16/604317416.db2.gz WIKICIOZTMETGW-UHFFFAOYSA-N -1 0 372.384 -0.210 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)NCC(=O)NCC2(C(=O)[O-])CCCC2)c[nH]1 ZINC000833084703 601707193 /nfs/dbraw/zinc/70/71/93/601707193.db2.gz XNYLIDXSXGBVNQ-UHFFFAOYSA-N -1 0 372.403 -0.847 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CCC(CC(=O)[O-])CC2)c[nH]1 ZINC000833084757 600906781 /nfs/dbraw/zinc/90/67/81/600906781.db2.gz YSAQQJQSPPVBSZ-UHFFFAOYSA-N -1 0 372.403 -0.895 20 0 FBADRM NC(=O)c1c[nH]c(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)[O-])c2)c1 ZINC000833084874 601279567 /nfs/dbraw/zinc/27/95/67/601279567.db2.gz SMPAFRPPRXDSPL-UHFFFAOYSA-N -1 0 366.355 -0.271 20 0 FBADRM NC(=O)c1cc(CNC(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)on1 ZINC000833084959 604326451 /nfs/dbraw/zinc/32/64/51/604326451.db2.gz VZXJZMLXXCAFCK-UHFFFAOYSA-N -1 0 361.314 -0.090 20 0 FBADRM NC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000833084995 601492051 /nfs/dbraw/zinc/49/20/51/601492051.db2.gz DDQPISPFXBXWDW-SECBINFHSA-N -1 0 353.306 -0.435 20 0 FBADRM NC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000833084997 601491917 /nfs/dbraw/zinc/49/19/17/601491917.db2.gz DDQPISPFXBXWDW-VIFPVBQESA-N -1 0 353.306 -0.435 20 0 FBADRM NC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1F ZINC000833085454 601494540 /nfs/dbraw/zinc/49/45/40/601494540.db2.gz PNMYIIOSASBFSU-SECBINFHSA-N -1 0 353.306 -0.435 20 0 FBADRM NC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1F ZINC000833085455 601494519 /nfs/dbraw/zinc/49/45/19/601494519.db2.gz PNMYIIOSASBFSU-VIFPVBQESA-N -1 0 353.306 -0.435 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)Cn3cc(C(=O)[O-])nn3)CC2)cc1 ZINC000833085559 601287830 /nfs/dbraw/zinc/28/78/30/601287830.db2.gz SXMKSSCIXQODOS-UHFFFAOYSA-N -1 0 358.358 -0.576 20 0 FBADRM NC(=O)c1ccc(N2CCN(C(=O)Nc3ccn(CC(=O)[O-])n3)CC2)nc1 ZINC000833085615 601056589 /nfs/dbraw/zinc/05/65/89/601056589.db2.gz VBKOGRGIEJQKQM-UHFFFAOYSA-N -1 0 373.373 -0.184 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@H](NC(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000833085796 601285534 /nfs/dbraw/zinc/28/55/34/601285534.db2.gz CJOZPMLMQRGDSE-JTQLQIEISA-N -1 0 358.358 -0.530 20 0 FBADRM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000833085810 601285423 /nfs/dbraw/zinc/28/54/23/601285423.db2.gz CJOZPMLMQRGDSE-SNVBAGLBSA-N -1 0 358.358 -0.530 20 0 FBADRM NC(=O)c1cccc(CCNS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000833085908 600735061 /nfs/dbraw/zinc/73/50/61/600735061.db2.gz DXIKSBHFIHCDLO-UHFFFAOYSA-N -1 0 352.372 -0.412 20 0 FBADRM NC(=O)Nc1ccc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000833086109 601439931 /nfs/dbraw/zinc/43/99/31/601439931.db2.gz XXEHKBRKCMYIMZ-UHFFFAOYSA-N -1 0 353.360 -0.063 20 0 FBADRM NC(=O)c1cccnc1N1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC000833087395 601068377 /nfs/dbraw/zinc/06/83/77/601068377.db2.gz GCDCFKDYZMSJSZ-UHFFFAOYSA-N -1 0 373.373 -0.184 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)N(CCC(=O)[O-])C2CCOCC2)CC1 ZINC000833087427 600967294 /nfs/dbraw/zinc/96/72/94/600967294.db2.gz ASDFKHYYPCVYNO-UHFFFAOYSA-N -1 0 363.436 -0.616 20 0 FBADRM NS(=O)(=O)CCN1CCN(CC(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000833087556 601044360 /nfs/dbraw/zinc/04/43/60/601044360.db2.gz DCNIJIZLXGZHJE-UHFFFAOYSA-N -1 0 370.431 -0.771 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)N(CCC(=O)[O-])Cc2ccncc2)CC1 ZINC000833087605 601517057 /nfs/dbraw/zinc/51/70/57/601517057.db2.gz DQAIXSLXUPQUAF-UHFFFAOYSA-N -1 0 370.431 -0.200 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)OCCc2cn(CC(=O)[O-])nn2)cs1 ZINC000833087670 604835901 /nfs/dbraw/zinc/83/59/01/604835901.db2.gz FGPDWBCWRMETJX-UHFFFAOYSA-N -1 0 360.373 -0.529 20 0 FBADRM NC(=O)c1ccn(-c2ccc(NC(=O)Cn3cc(C(=O)[O-])nn3)cc2)n1 ZINC000833087733 601280717 /nfs/dbraw/zinc/28/07/17/601280717.db2.gz MVLPEVULGSQLSO-UHFFFAOYSA-N -1 0 355.314 -0.100 20 0 FBADRM NS(=O)(=O)N1CCc2ccc(NC(=O)Cn3cc(C(=O)[O-])nn3)cc21 ZINC000833087834 601277172 /nfs/dbraw/zinc/27/71/72/601277172.db2.gz HWXPXWKSDHWNGM-UHFFFAOYSA-N -1 0 366.359 -0.819 20 0 FBADRM NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])c1 ZINC000833087895 604661861 /nfs/dbraw/zinc/66/18/61/604661861.db2.gz ILHPCGMQMWBFCG-JTQLQIEISA-N -1 0 373.362 -0.123 20 0 FBADRM NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])c1 ZINC000833087908 604661998 /nfs/dbraw/zinc/66/19/98/604661998.db2.gz ILHPCGMQMWBFCG-SNVBAGLBSA-N -1 0 373.362 -0.123 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)OCCc2cn(CC(=O)[O-])nn2)s1 ZINC000833087937 604835997 /nfs/dbraw/zinc/83/59/97/604835997.db2.gz BDRAOEVYKULXTD-UHFFFAOYSA-N -1 0 374.400 -0.600 20 0 FBADRM NS(=O)(=O)c1ccc(N2CCC(C(=O)NCCO)CC2)c(C(=O)[O-])c1 ZINC000833087948 600811206 /nfs/dbraw/zinc/81/12/06/600811206.db2.gz BGQUTNCRQCPTTD-UHFFFAOYSA-N -1 0 371.415 -0.643 20 0 FBADRM NS(=O)(=O)c1ccc(CNC(=O)Nc2ccn(CC(=O)[O-])n2)s1 ZINC000833087972 601058310 /nfs/dbraw/zinc/05/83/10/601058310.db2.gz BTOAVISRLJLBJS-UHFFFAOYSA-N -1 0 359.389 -0.002 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000833088036 601191937 /nfs/dbraw/zinc/19/19/37/601191937.db2.gz KALMYOLOAMKPLM-UHFFFAOYSA-N -1 0 356.404 -0.177 20 0 FBADRM NS(=O)(=O)c1ccc(F)c(CNC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000833088074 601287046 /nfs/dbraw/zinc/28/70/46/601287046.db2.gz DYBFSPKDUGFVIC-UHFFFAOYSA-N -1 0 357.323 -0.921 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)OCCc2cn(CC(=O)[O-])nn2)ccc1F ZINC000833088186 604835864 /nfs/dbraw/zinc/83/58/64/604835864.db2.gz MCMDAAGONZTGDQ-UHFFFAOYSA-N -1 0 372.334 -0.451 20 0 FBADRM NS(=O)(=O)c1ccc(CCC(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000833088198 601741674 /nfs/dbraw/zinc/74/16/74/601741674.db2.gz IJQVOTMZAZOYJM-GFCCVEGCSA-N -1 0 356.400 -0.031 20 0 FBADRM NS(=O)(=O)c1ccc(CCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000833088206 601741655 /nfs/dbraw/zinc/74/16/55/601741655.db2.gz IJQVOTMZAZOYJM-LBPRGKRZSA-N -1 0 356.400 -0.031 20 0 FBADRM NC(=O)c1ccn(-c2ccccc2NC(=O)Cn2cc(C(=O)[O-])nn2)n1 ZINC000833088220 601286205 /nfs/dbraw/zinc/28/62/05/601286205.db2.gz SWQNSKMWGSMMOP-UHFFFAOYSA-N -1 0 355.314 -0.100 20 0 FBADRM NS(=O)(=O)c1ccc(CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)s1 ZINC000833088250 601763128 /nfs/dbraw/zinc/76/31/28/601763128.db2.gz IMMBMWBUBJRDKY-MRVPVSSYSA-N -1 0 363.417 -0.219 20 0 FBADRM NS(=O)(=O)c1ccc(CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)s1 ZINC000833088256 601763179 /nfs/dbraw/zinc/76/31/79/601763179.db2.gz IMMBMWBUBJRDKY-QMMMGPOBSA-N -1 0 363.417 -0.219 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000833088258 600812492 /nfs/dbraw/zinc/81/24/92/600812492.db2.gz NCSMFLOLNKMUCG-UHFFFAOYSA-N -1 0 356.404 -0.177 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)OCC(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000833088270 601099787 /nfs/dbraw/zinc/09/97/87/601099787.db2.gz NKEJDGBSAZSIHW-UHFFFAOYSA-N -1 0 360.344 -0.381 20 0 FBADRM NS(=O)(=O)[C@@H]1CCCN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000833088320 601002842 /nfs/dbraw/zinc/00/28/42/601002842.db2.gz HGICIPWXCGWAGA-GXTWGEPZSA-N -1 0 358.416 -0.123 20 0 FBADRM NS(=O)(=O)[C@H]1CCCN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000833088323 601002652 /nfs/dbraw/zinc/00/26/52/601002652.db2.gz HGICIPWXCGWAGA-JSGCOSHPSA-N -1 0 358.416 -0.123 20 0 FBADRM NS(=O)(=O)[C@H]1CCCN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000833088327 601002959 /nfs/dbraw/zinc/00/29/59/601002959.db2.gz HGICIPWXCGWAGA-OCCSQVGLSA-N -1 0 358.416 -0.123 20 0 FBADRM NS(=O)(=O)[C@@H]1CCCN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000833088331 601002827 /nfs/dbraw/zinc/00/28/27/601002827.db2.gz HGICIPWXCGWAGA-TZMCWYRMSA-N -1 0 358.416 -0.123 20 0 FBADRM NS(=O)(=O)c1ccc(CNC(=O)Nc2ccn(CC(=O)[O-])n2)cc1 ZINC000833088363 601056575 /nfs/dbraw/zinc/05/65/75/601056575.db2.gz JGOMLCGZIMSWQJ-UHFFFAOYSA-N -1 0 353.360 -0.063 20 0 FBADRM NS(=O)(=O)CCN1CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000833088380 601044167 /nfs/dbraw/zinc/04/41/67/601044167.db2.gz POQZLDSHMFMUIB-UHFFFAOYSA-N -1 0 370.431 -0.771 20 0 FBADRM NS(=O)(=O)CCN1CCN(CCOc2cccc(C(=O)[O-])c2)CC1 ZINC000833088385 601044499 /nfs/dbraw/zinc/04/44/99/601044499.db2.gz PRCKRCSDWRTFQO-UHFFFAOYSA-N -1 0 357.432 -0.330 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)s1 ZINC000833088420 604837147 /nfs/dbraw/zinc/83/71/47/604837147.db2.gz KDVNMCSMDQDYME-UHFFFAOYSA-N -1 0 360.373 -0.529 20 0 FBADRM NS(=O)(=O)Cc1cccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)c1 ZINC000833088424 604837274 /nfs/dbraw/zinc/83/72/74/604837274.db2.gz QFINQXJGIHFKMB-UHFFFAOYSA-N -1 0 368.371 -0.449 20 0 FBADRM NS(=O)(=O)c1ccc(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)s1 ZINC000833088435 600693508 /nfs/dbraw/zinc/69/35/08/600693508.db2.gz KLLDCKFGDVIOSO-UHFFFAOYSA-N -1 0 365.414 -0.100 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)OCCc2cn(CC(=O)[O-])nn2)cc1 ZINC000833088449 604837366 /nfs/dbraw/zinc/83/73/66/604837366.db2.gz LDINDENQFFPTKS-UHFFFAOYSA-N -1 0 368.371 -0.662 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)cc1 ZINC000833088462 604835575 /nfs/dbraw/zinc/83/55/75/604835575.db2.gz LKARAOFHOKGWBH-UHFFFAOYSA-N -1 0 354.344 -0.590 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CC[C@@](F)(C(=O)[O-])C1 ZINC000833088581 601552222 /nfs/dbraw/zinc/55/22/22/601552222.db2.gz AIJFDDXSHIKYFB-HNNXBMFYSA-N -1 0 371.390 -0.278 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CC[C@](F)(C(=O)[O-])C1 ZINC000833088582 601552109 /nfs/dbraw/zinc/55/21/09/601552109.db2.gz AIJFDDXSHIKYFB-OAHLLOKOSA-N -1 0 371.390 -0.278 20 0 FBADRM NS(=O)(=O)Cc1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)cc1 ZINC000833088591 604837168 /nfs/dbraw/zinc/83/71/68/604837168.db2.gz QKWVFJVQANRDFY-UHFFFAOYSA-N -1 0 368.371 -0.449 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CC(=O)[O-])C2CC2)cc1 ZINC000833088595 601563879 /nfs/dbraw/zinc/56/38/79/601563879.db2.gz ARCAXSCQUUGHBZ-LLVKDONJSA-N -1 0 355.372 -0.358 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC000833088597 601563985 /nfs/dbraw/zinc/56/39/85/601563985.db2.gz ARCAXSCQUUGHBZ-NSHDSACASA-N -1 0 355.372 -0.358 20 0 FBADRM NS(=O)(=O)N1CCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000833088598 600797857 /nfs/dbraw/zinc/79/78/57/600797857.db2.gz QPRACODEKBALPX-JTQLQIEISA-N -1 0 374.444 -0.627 20 0 FBADRM NS(=O)(=O)N1CCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000833088600 600797864 /nfs/dbraw/zinc/79/78/64/600797864.db2.gz QPRACODEKBALPX-SNVBAGLBSA-N -1 0 374.444 -0.627 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)CN2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000833088607 601570967 /nfs/dbraw/zinc/57/09/67/601570967.db2.gz BBJMUZDSJOZJOH-LLVKDONJSA-N -1 0 357.388 -0.552 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)CN2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000833088610 601570822 /nfs/dbraw/zinc/57/08/22/601570822.db2.gz BBJMUZDSJOZJOH-NSHDSACASA-N -1 0 357.388 -0.552 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)CN(CC(=O)[O-])C2CCOCC2)cc1 ZINC000833088639 601047758 /nfs/dbraw/zinc/04/77/58/601047758.db2.gz BYCJCDXDZCGLJY-UHFFFAOYSA-N -1 0 371.415 -0.162 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000833088645 601702881 /nfs/dbraw/zinc/70/28/81/601702881.db2.gz CLQSWQNBFYNGMB-GFCCVEGCSA-N -1 0 369.355 -0.779 20 0 FBADRM NS(=O)(=O)Cc1cccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000833088651 601281389 /nfs/dbraw/zinc/28/13/89/601281389.db2.gz RZCKKXDXKRVLDZ-UHFFFAOYSA-N -1 0 353.360 -0.919 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000833088656 601702856 /nfs/dbraw/zinc/70/28/56/601702856.db2.gz CLQSWQNBFYNGMB-LBPRGKRZSA-N -1 0 369.355 -0.779 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000833088664 601552373 /nfs/dbraw/zinc/55/23/73/601552373.db2.gz MLRHXFGMUYEUBA-HNNXBMFYSA-N -1 0 373.406 -0.509 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000833088666 601552120 /nfs/dbraw/zinc/55/21/20/601552120.db2.gz MLRHXFGMUYEUBA-OAHLLOKOSA-N -1 0 373.406 -0.509 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)N(C(=O)Cn1cc(C(=O)[O-])nn1)CC2 ZINC000833088670 601286898 /nfs/dbraw/zinc/28/68/98/601286898.db2.gz COFYKILZUATXMR-UHFFFAOYSA-N -1 0 351.344 -0.787 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)CC1 ZINC000833088709 600832685 /nfs/dbraw/zinc/83/26/85/600832685.db2.gz SYCYWADNBOZIQI-UHFFFAOYSA-N -1 0 369.443 -0.250 20 0 FBADRM NS(=O)(=O)CCN1CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000833088722 601044187 /nfs/dbraw/zinc/04/41/87/601044187.db2.gz TVLZASNEZBCLAE-UHFFFAOYSA-N -1 0 370.431 -0.771 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000833088730 601738528 /nfs/dbraw/zinc/73/85/28/601738528.db2.gz UCYRNVBTTLIXRD-GFCCVEGCSA-N -1 0 359.379 -0.017 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000833088733 601738393 /nfs/dbraw/zinc/73/83/93/601738393.db2.gz UCYRNVBTTLIXRD-LBPRGKRZSA-N -1 0 359.379 -0.017 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000833088794 601441852 /nfs/dbraw/zinc/44/18/52/601441852.db2.gz UZBZILMWFCMYPS-UHFFFAOYSA-N -1 0 371.415 -0.804 20 0 FBADRM NS(=O)(=O)c1ccc(CNC(=S)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000833088845 601368367 /nfs/dbraw/zinc/36/83/67/601368367.db2.gz QBXCMBOXOXOXRT-LLVKDONJSA-N -1 0 373.456 -0.116 20 0 FBADRM NS(=O)(=O)c1ccc(CNC(=S)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000833088848 601368231 /nfs/dbraw/zinc/36/82/31/601368231.db2.gz QBXCMBOXOXOXRT-NSHDSACASA-N -1 0 373.456 -0.116 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)[O-])C2CC2)cc1 ZINC000833088875 601580076 /nfs/dbraw/zinc/58/00/76/601580076.db2.gz RMXKAAKSNHZKPP-UHFFFAOYSA-N -1 0 355.416 -0.458 20 0 FBADRM NS(=O)(=O)c1ccc(F)c(C(=O)OCCc2cn(CC(=O)[O-])nn2)c1 ZINC000833088877 604835606 /nfs/dbraw/zinc/83/56/06/604835606.db2.gz RQNKONRVPKTWIG-UHFFFAOYSA-N -1 0 372.334 -0.451 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000833088893 600754619 /nfs/dbraw/zinc/75/46/19/600754619.db2.gz JHZCUHSKPDGXBB-MRVPVSSYSA-N -1 0 351.406 -0.598 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000833088894 600754674 /nfs/dbraw/zinc/75/46/74/600754674.db2.gz JHZCUHSKPDGXBB-QMMMGPOBSA-N -1 0 351.406 -0.598 20 0 FBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)Nc2nnc(CCCC(=O)[O-])s2)C1 ZINC000833088914 604960098 /nfs/dbraw/zinc/96/00/98/604960098.db2.gz JWWMOERJXAWNDO-SSDOTTSWSA-N -1 0 363.421 -0.160 20 0 FBADRM NS(=O)(=O)[C@H]1CCN(C(=O)Nc2nnc(CCCC(=O)[O-])s2)C1 ZINC000833088915 604960083 /nfs/dbraw/zinc/96/00/83/604960083.db2.gz JWWMOERJXAWNDO-ZETCQYMHSA-N -1 0 363.421 -0.160 20 0 FBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000833088924 601880545 /nfs/dbraw/zinc/88/05/45/601880545.db2.gz KJTUQRKYOWFDBJ-LLVKDONJSA-N -1 0 370.387 -0.604 20 0 FBADRM NS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000833088925 601880482 /nfs/dbraw/zinc/88/04/82/601880482.db2.gz KJTUQRKYOWFDBJ-NSHDSACASA-N -1 0 370.387 -0.604 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])cc1 ZINC000833089068 604669147 /nfs/dbraw/zinc/66/91/47/604669147.db2.gz JCHQBYQEVKSNTQ-JTQLQIEISA-N -1 0 355.372 -0.262 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000833089071 604669106 /nfs/dbraw/zinc/66/91/06/604669106.db2.gz JCHQBYQEVKSNTQ-SNVBAGLBSA-N -1 0 355.372 -0.262 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN(CC(=O)[O-])C1CC1 ZINC000833089140 601580101 /nfs/dbraw/zinc/58/01/01/601580101.db2.gz KLVNMYROVNELMI-UHFFFAOYSA-N -1 0 353.400 -0.228 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000833089158 604295337 /nfs/dbraw/zinc/29/53/37/604295337.db2.gz ZENKGKYRBHHZGP-UHFFFAOYSA-N -1 0 359.379 -0.430 20 0 FBADRM NS(=O)(=O)C[C@H]1CCCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC000833089372 601516851 /nfs/dbraw/zinc/51/68/51/601516851.db2.gz OQSMSYSFVAJUFG-JTQLQIEISA-N -1 0 354.450 -0.428 20 0 FBADRM NS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC000833089373 601516964 /nfs/dbraw/zinc/51/69/64/601516964.db2.gz OQSMSYSFVAJUFG-SNVBAGLBSA-N -1 0 354.450 -0.428 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC000833089400 604598382 /nfs/dbraw/zinc/59/83/82/604598382.db2.gz PPXYRIKXDRTJDK-UHFFFAOYSA-N -1 0 355.372 -0.214 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N(CC(=O)[O-])C1CC1 ZINC000833089437 601744841 /nfs/dbraw/zinc/74/48/41/601744841.db2.gz RNYCZDYQZQXPKF-UHFFFAOYSA-N -1 0 369.355 -0.683 20 0 FBADRM NS(=O)(=O)[C@@H]1CCN(Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1 ZINC000833089502 604380856 /nfs/dbraw/zinc/38/08/56/604380856.db2.gz POJGVKURJPVAHX-SECBINFHSA-N -1 0 352.372 -0.104 20 0 FBADRM NS(=O)(=O)[C@H]1CCN(Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1 ZINC000833089503 604380850 /nfs/dbraw/zinc/38/08/50/604380850.db2.gz POJGVKURJPVAHX-VIFPVBQESA-N -1 0 352.372 -0.104 20 0 FBADRM NS(=O)(=O)c1cccc(CNC(=O)Nc2ccn(CC(=O)[O-])n2)c1 ZINC000833089603 601058237 /nfs/dbraw/zinc/05/82/37/601058237.db2.gz WYQHWBWKNFNGOC-UHFFFAOYSA-N -1 0 353.360 -0.063 20 0 FBADRM NS(=O)(=O)c1ccc(OCC(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000833089626 601760040 /nfs/dbraw/zinc/76/00/40/601760040.db2.gz YGTIELWLCAUJIS-LLVKDONJSA-N -1 0 358.372 -0.585 20 0 FBADRM NS(=O)(=O)c1ccc(OCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000833089627 601760107 /nfs/dbraw/zinc/76/01/07/601760107.db2.gz YGTIELWLCAUJIS-NSHDSACASA-N -1 0 358.372 -0.585 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000833089634 601758280 /nfs/dbraw/zinc/75/82/80/601758280.db2.gz YSIXRKYUYIZANF-CYBMUJFWSA-N -1 0 359.335 -0.702 20 0 FBADRM NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000833089635 601758221 /nfs/dbraw/zinc/75/82/21/601758221.db2.gz YSIXRKYUYIZANF-ZDUSSCGKSA-N -1 0 359.335 -0.702 20 0 FBADRM NS(=O)(=O)c1cccc(CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000833089653 601767244 /nfs/dbraw/zinc/76/72/44/601767244.db2.gz ZYIIBCJZQBBHNP-LLVKDONJSA-N -1 0 357.388 -0.281 20 0 FBADRM NS(=O)(=O)c1cccc(CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000833089654 601767162 /nfs/dbraw/zinc/76/71/62/601767162.db2.gz ZYIIBCJZQBBHNP-NSHDSACASA-N -1 0 357.388 -0.281 20 0 FBADRM NS(=O)(=O)[C@@H]1CCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000833089819 604380923 /nfs/dbraw/zinc/38/09/23/604380923.db2.gz ZGEXHQONQSDGEF-PSASIEDQSA-N -1 0 359.429 -0.086 20 0 FBADRM NS(=O)(=O)[C@@H]1CCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000833089820 604380646 /nfs/dbraw/zinc/38/06/46/604380646.db2.gz ZGEXHQONQSDGEF-SCZZXKLOSA-N -1 0 359.429 -0.086 20 0 FBADRM NS(=O)(=O)[C@H]1CCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000833089821 604380800 /nfs/dbraw/zinc/38/08/00/604380800.db2.gz ZGEXHQONQSDGEF-WCBMZHEXSA-N -1 0 359.429 -0.086 20 0 FBADRM NS(=O)(=O)[C@H]1CCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000833089822 604380544 /nfs/dbraw/zinc/38/05/44/604380544.db2.gz ZGEXHQONQSDGEF-WPRPVWTQSA-N -1 0 359.429 -0.086 20 0 FBADRM Nc1c(C(=O)CN2CCO[C@H](CC(=O)[O-])C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000833089900 601573177 /nfs/dbraw/zinc/57/31/77/601573177.db2.gz FWGKOXGXFNEXQL-SECBINFHSA-N -1 0 352.347 -0.776 20 0 FBADRM Nc1c(C(=O)CN2CCO[C@@H](CC(=O)[O-])C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000833089901 601573216 /nfs/dbraw/zinc/57/32/16/601573216.db2.gz FWGKOXGXFNEXQL-VIFPVBQESA-N -1 0 352.347 -0.776 20 0 FBADRM NS(=O)(=O)c1ccsc1C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000833089922 604836019 /nfs/dbraw/zinc/83/60/19/604836019.db2.gz HAVXMAXMQANEIV-UHFFFAOYSA-N -1 0 360.373 -0.529 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)c1 ZINC000833089925 601440620 /nfs/dbraw/zinc/44/06/20/601440620.db2.gz HHQIXUGJNZZUBT-JTQLQIEISA-N -1 0 360.392 -0.987 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)c1 ZINC000833089926 601440700 /nfs/dbraw/zinc/44/07/00/601440700.db2.gz HHQIXUGJNZZUBT-SNVBAGLBSA-N -1 0 360.392 -0.987 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000833089998 601482623 /nfs/dbraw/zinc/48/26/23/601482623.db2.gz LEEDAUIDJDSAOF-CYBMUJFWSA-N -1 0 359.335 -0.702 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000833089999 601482606 /nfs/dbraw/zinc/48/26/06/601482606.db2.gz LEEDAUIDJDSAOF-ZDUSSCGKSA-N -1 0 359.335 -0.702 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])c1 ZINC000833090005 604659870 /nfs/dbraw/zinc/65/98/70/604659870.db2.gz LOCVHLDVOYDWRX-JTQLQIEISA-N -1 0 355.372 -0.262 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])c1 ZINC000833090006 604660301 /nfs/dbraw/zinc/66/03/01/604660301.db2.gz LOCVHLDVOYDWRX-SNVBAGLBSA-N -1 0 355.372 -0.262 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)CN2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000833090036 601569622 /nfs/dbraw/zinc/56/96/22/601569622.db2.gz OJNCWUSSDODADP-LLVKDONJSA-N -1 0 357.388 -0.552 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)CN2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000833090037 601569642 /nfs/dbraw/zinc/56/96/42/601569642.db2.gz OJNCWUSSDODADP-NSHDSACASA-N -1 0 357.388 -0.552 20 0 FBADRM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000833090039 600927857 /nfs/dbraw/zinc/92/78/57/600927857.db2.gz OQIMLVZGKROWNR-UHFFFAOYSA-N -1 0 361.314 -0.073 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)CCN2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000833090040 601570253 /nfs/dbraw/zinc/57/02/53/601570253.db2.gz ORKBSQXKKKOKLK-GFCCVEGCSA-N -1 0 371.415 -0.162 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)CCN2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000833090041 601570210 /nfs/dbraw/zinc/57/02/10/601570210.db2.gz ORKBSQXKKKOKLK-LBPRGKRZSA-N -1 0 371.415 -0.162 20 0 FBADRM Nc1c(C(=O)CN2CCSC[C@H]2CC(=O)[O-])c(=O)[nH]c(=O)n1C1CC1 ZINC000833090160 601018612 /nfs/dbraw/zinc/01/86/12/601018612.db2.gz PXJRNAUWXWMSHA-SECBINFHSA-N -1 0 368.415 -0.059 20 0 FBADRM Nc1c(C(=O)CN2CCSC[C@@H]2CC(=O)[O-])c(=O)[nH]c(=O)n1C1CC1 ZINC000833090161 601018651 /nfs/dbraw/zinc/01/86/51/601018651.db2.gz PXJRNAUWXWMSHA-VIFPVBQESA-N -1 0 368.415 -0.059 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)Nc2nc(CCC(=O)[O-])cs2)c1 ZINC000833090165 604728528 /nfs/dbraw/zinc/72/85/28/604728528.db2.gz QASKPTHSOOWLMN-UHFFFAOYSA-N -1 0 359.389 -0.357 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)N(CCC(=O)[O-])Cc2ccncc2)c1 ZINC000833090209 601562589 /nfs/dbraw/zinc/56/25/89/601562589.db2.gz SYLPHVYCCCZKJL-UHFFFAOYSA-N -1 0 367.387 -0.571 20 0 FBADRM NS(=O)(=O)c1cccc(NC(=O)CN(CC(=O)[O-])C2CCOCC2)c1 ZINC000833090262 601045833 /nfs/dbraw/zinc/04/58/33/601045833.db2.gz VUBXNKGDJUVNEQ-UHFFFAOYSA-N -1 0 371.415 -0.162 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000833090263 600780809 /nfs/dbraw/zinc/78/08/09/600780809.db2.gz VXAKRAPSEUSOPD-GFCCVEGCSA-N -1 0 352.372 -0.485 20 0 FBADRM NS(=O)(=O)c1cnn(CC(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000833090265 600780676 /nfs/dbraw/zinc/78/06/76/600780676.db2.gz VXAKRAPSEUSOPD-LBPRGKRZSA-N -1 0 352.372 -0.485 20 0 FBADRM Nn1c(SCC(=O)NCCC(=O)[O-])nnc1-c1n[nH]c2c1CCC2 ZINC000833090698 604756292 /nfs/dbraw/zinc/75/62/92/604756292.db2.gz GJQFTDNUUHUOCF-UHFFFAOYSA-N -1 0 351.392 -0.446 20 0 FBADRM Nc1nsc(N2CCN(CC(=O)N3CCC(C(=O)[O-])CC3)CC2)n1 ZINC000833090858 601555137 /nfs/dbraw/zinc/55/51/37/601555137.db2.gz JJJZKDCRPLNZCA-UHFFFAOYSA-N -1 0 354.436 -0.435 20 0 FBADRM Nc1nsc(N2CCN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)CC2)n1 ZINC000833090870 604359280 /nfs/dbraw/zinc/35/92/80/604359280.db2.gz KBPDZEIMQBQIDA-UHFFFAOYSA-N -1 0 358.405 -0.343 20 0 FBADRM Nc1nsc(N2CCN(S(=O)(=O)c3ccc(C(=O)[O-])o3)CC2)n1 ZINC000833091064 604359644 /nfs/dbraw/zinc/35/96/44/604359644.db2.gz LOQXZSMAXMFWGI-UHFFFAOYSA-N -1 0 359.389 -0.078 20 0 FBADRM Nc1nsc(N2CCN(S(=O)(=O)CC3(CC(=O)[O-])CC3)CC2)n1 ZINC000833091125 604359636 /nfs/dbraw/zinc/35/96/36/604359636.db2.gz MXVKPPIRAPYFJB-UHFFFAOYSA-N -1 0 361.449 -0.173 20 0 FBADRM Nn1c(SCCc2cn(CC(=O)[O-])nn2)nnc1C1CCOCC1 ZINC000833091156 604791347 /nfs/dbraw/zinc/79/13/47/604791347.db2.gz NLOBMMJCZVQDDA-UHFFFAOYSA-N -1 0 353.408 -0.103 20 0 FBADRM Nc1nccnc1C(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000833091255 601990630 /nfs/dbraw/zinc/99/06/30/601990630.db2.gz QORZCTLFOZZPKK-UHFFFAOYSA-N -1 0 364.383 -0.012 20 0 FBADRM Nc1cccc2c1C(=O)N(CN(CCN1CCOCC1)CC(=O)[O-])C2=O ZINC000833091429 600985410 /nfs/dbraw/zinc/98/54/10/600985410.db2.gz PJEDOFAWUBYQCY-UHFFFAOYSA-N -1 0 362.386 -0.459 20 0 FBADRM Nc1nsc(N2CCN(C(=O)Nc3ccn(CC(=O)[O-])n3)CC2)n1 ZINC000833091623 604459410 /nfs/dbraw/zinc/45/94/10/604459410.db2.gz YJBIPIIBVHMPRS-UHFFFAOYSA-N -1 0 352.380 -0.245 20 0 FBADRM O=C([O-])[C@]1(F)CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000833092396 601653343 /nfs/dbraw/zinc/65/33/43/601653343.db2.gz XJSFPHALMKOFGK-BFVZDQMLSA-N -1 0 362.379 -0.953 20 0 FBADRM O=C([O-])[C@@]1(F)CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000833092398 601653525 /nfs/dbraw/zinc/65/35/25/601653525.db2.gz XJSFPHALMKOFGK-GPCCPHFNSA-N -1 0 362.379 -0.953 20 0 FBADRM O=C([O-])[C@@]1(F)CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000833092399 601653397 /nfs/dbraw/zinc/65/33/97/601653397.db2.gz XJSFPHALMKOFGK-ISTVAULSSA-N -1 0 362.379 -0.953 20 0 FBADRM O=C([O-])[C@]1(F)CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000833092402 601653220 /nfs/dbraw/zinc/65/32/20/601653220.db2.gz XJSFPHALMKOFGK-RULNRJAQSA-N -1 0 362.379 -0.953 20 0 FBADRM O=C([O-])[C@@H](NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C1CC1 ZINC000833096123 604298559 /nfs/dbraw/zinc/29/85/59/604298559.db2.gz HOLUXYLJTJCOKS-HNNXBMFYSA-N -1 0 361.402 -0.115 20 0 FBADRM O=C([O-])[C@H](NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C1CC1 ZINC000833096124 604298357 /nfs/dbraw/zinc/29/83/57/604298357.db2.gz HOLUXYLJTJCOKS-OAHLLOKOSA-N -1 0 361.402 -0.115 20 0 FBADRM O=C(CCNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)N[C@@H]1CCS(=O)(=O)C1 ZINC000833099743 600889528 /nfs/dbraw/zinc/88/95/28/600889528.db2.gz GIXRKIUXVKGRCS-GRYCIOLGSA-N -1 0 360.432 -0.313 20 0 FBADRM O=C(CCNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)N[C@@H]1CCS(=O)(=O)C1 ZINC000833099745 600889637 /nfs/dbraw/zinc/88/96/37/600889637.db2.gz GIXRKIUXVKGRCS-IJLUTSLNSA-N -1 0 360.432 -0.313 20 0 FBADRM O=C(CCNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)N[C@H]1CCS(=O)(=O)C1 ZINC000833099746 600889937 /nfs/dbraw/zinc/88/99/37/600889937.db2.gz GIXRKIUXVKGRCS-UTUOFQBUSA-N -1 0 360.432 -0.313 20 0 FBADRM O=C(CCNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)N[C@H]1CCS(=O)(=O)C1 ZINC000833099747 600890339 /nfs/dbraw/zinc/89/03/39/600890339.db2.gz GIXRKIUXVKGRCS-WOPDTQHZSA-N -1 0 360.432 -0.313 20 0 FBADRM O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H](C(=O)[O-])C1CC1 ZINC000833099800 601593829 /nfs/dbraw/zinc/59/38/29/601593829.db2.gz IPQNVOXMSWTAIC-DZGCQCFKSA-N -1 0 353.419 -0.321 20 0 FBADRM O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H](C(=O)[O-])C1CC1 ZINC000833099801 601593753 /nfs/dbraw/zinc/59/37/53/601593753.db2.gz IPQNVOXMSWTAIC-HIFRSBDPSA-N -1 0 353.419 -0.321 20 0 FBADRM O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H](C(=O)[O-])C1CC1 ZINC000833099802 601593913 /nfs/dbraw/zinc/59/39/13/601593913.db2.gz IPQNVOXMSWTAIC-UKRRQHHQSA-N -1 0 353.419 -0.321 20 0 FBADRM O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H](C(=O)[O-])C1CC1 ZINC000833099803 601593910 /nfs/dbraw/zinc/59/39/10/601593910.db2.gz IPQNVOXMSWTAIC-ZFWWWQNUSA-N -1 0 353.419 -0.321 20 0 FBADRM O=C(CCN1CCOC[C@@H]1C(=O)[O-])NN1C(=O)NC2(CCCCC2)C1=O ZINC000833099884 601562462 /nfs/dbraw/zinc/56/24/62/601562462.db2.gz KDDNTAABPCBAET-LLVKDONJSA-N -1 0 368.390 -0.552 20 0 FBADRM O=C(CCN1CCOC[C@H]1C(=O)[O-])NN1C(=O)NC2(CCCCC2)C1=O ZINC000833099886 601562515 /nfs/dbraw/zinc/56/25/15/601562515.db2.gz KDDNTAABPCBAET-NSHDSACASA-N -1 0 368.390 -0.552 20 0 FBADRM O=C([O-])[C@@]1(F)CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000833100087 601714570 /nfs/dbraw/zinc/71/45/70/601714570.db2.gz NSWFOBKCCNXWCQ-CXAGYDPISA-N -1 0 371.409 -0.275 20 0 FBADRM O=C([O-])[C@]1(F)CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000833100088 601714575 /nfs/dbraw/zinc/71/45/75/601714575.db2.gz NSWFOBKCCNXWCQ-DYVFJYSZSA-N -1 0 371.409 -0.275 20 0 FBADRM O=C([O-])[C@]1(F)CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000833100089 601714526 /nfs/dbraw/zinc/71/45/26/601714526.db2.gz NSWFOBKCCNXWCQ-GUYCJALGSA-N -1 0 371.409 -0.275 20 0 FBADRM O=C([O-])[C@@]1(F)CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000833100090 601714549 /nfs/dbraw/zinc/71/45/49/601714549.db2.gz NSWFOBKCCNXWCQ-SUMWQHHRSA-N -1 0 371.409 -0.275 20 0 FBADRM O=C([O-])c1ccc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1F ZINC000833100657 604939934 /nfs/dbraw/zinc/93/99/34/604939934.db2.gz KHKOGFVGWROJGI-JTQLQIEISA-N -1 0 372.374 -0.053 20 0 FBADRM O=C([O-])c1ccc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000833100663 604940038 /nfs/dbraw/zinc/94/00/38/604940038.db2.gz KHKOGFVGWROJGI-SNVBAGLBSA-N -1 0 372.374 -0.053 20 0 FBADRM O=C([O-])[C@H](CO)NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000833102246 604699556 /nfs/dbraw/zinc/69/95/56/604699556.db2.gz HRQOWPPCNHIYBV-AWEZNQCLSA-N -1 0 370.427 -0.035 20 0 FBADRM O=C([O-])[C@@H](CO)NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000833102249 604699640 /nfs/dbraw/zinc/69/96/40/604699640.db2.gz HRQOWPPCNHIYBV-CQSZACIVSA-N -1 0 370.427 -0.035 20 0 FBADRM O=C([O-])c1ccc(NC(=O)CN(CCO)CCN2CCOCC2)cc1 ZINC000833103685 601207200 /nfs/dbraw/zinc/20/72/00/601207200.db2.gz ANQMESISFAOACT-UHFFFAOYSA-N -1 0 351.403 -0.050 20 0 FBADRM O=C([O-])c1cccc(NC(=O)CN(CCO)CCN2CCOCC2)c1 ZINC000833103722 601207209 /nfs/dbraw/zinc/20/72/09/601207209.db2.gz CQIKMFBZNVKJLX-UHFFFAOYSA-N -1 0 351.403 -0.050 20 0 FBADRM O=C([O-])c1ccccc1NC(=O)CN(CCO)CCN1CCOCC1 ZINC000833103810 601207153 /nfs/dbraw/zinc/20/71/53/601207153.db2.gz HJKJLRLVCNNNSI-UHFFFAOYSA-N -1 0 351.403 -0.050 20 0 FBADRM O=C(CN(CCO)CCN1CCOCC1)NC1(C(=O)[O-])CCCCC1 ZINC000833104035 601607526 /nfs/dbraw/zinc/60/75/26/601607526.db2.gz SGUYZIWIAVJFSS-UHFFFAOYSA-N -1 0 357.451 -0.483 20 0 FBADRM O=C([O-])[C@]1(F)CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 ZINC000833106244 601713882 /nfs/dbraw/zinc/71/38/82/601713882.db2.gz IHDYTEALPSFLNP-AWEZNQCLSA-N -1 0 356.331 -0.144 20 0 FBADRM O=C([O-])[C@@]1(F)CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 ZINC000833106245 601713903 /nfs/dbraw/zinc/71/39/03/601713903.db2.gz IHDYTEALPSFLNP-CQSZACIVSA-N -1 0 356.331 -0.144 20 0 FBADRM O=C(CN1CCCCCCC1=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000833106399 601717570 /nfs/dbraw/zinc/71/75/70/601717570.db2.gz RNGLQCPAVLHCBK-UHFFFAOYSA-N -1 0 360.432 -0.073 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCO[C@H](CO)C1 ZINC000833107888 601427250 /nfs/dbraw/zinc/42/72/50/601427250.db2.gz IQGKLMBBIKQTKP-BBRMVZONSA-N -1 0 361.398 -0.027 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCO[C@@H](CO)C1 ZINC000833107891 601427290 /nfs/dbraw/zinc/42/72/90/601427290.db2.gz IQGKLMBBIKQTKP-CJNGLKHVSA-N -1 0 361.398 -0.027 20 0 FBADRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCO[C@@H](CO)C1 ZINC000833107894 601427273 /nfs/dbraw/zinc/42/72/73/601427273.db2.gz IQGKLMBBIKQTKP-CZUORRHYSA-N -1 0 361.398 -0.027 20 0 FBADRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCO[C@H](CO)C1 ZINC000833107897 601427152 /nfs/dbraw/zinc/42/71/52/601427152.db2.gz IQGKLMBBIKQTKP-XJKSGUPXSA-N -1 0 361.398 -0.027 20 0 FBADRM O=C([O-])c1nscc1S(=O)(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000833107928 601568423 /nfs/dbraw/zinc/56/84/23/601568423.db2.gz JDGLAPKVSMVQQU-UHFFFAOYSA-N -1 0 374.444 -0.574 20 0 FBADRM O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000833108002 601766631 /nfs/dbraw/zinc/76/66/31/601766631.db2.gz ZISZVPLHHQOUSJ-AWEZNQCLSA-N -1 0 354.340 -0.809 20 0 FBADRM O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000833108003 601766628 /nfs/dbraw/zinc/76/66/28/601766628.db2.gz ZISZVPLHHQOUSJ-CQSZACIVSA-N -1 0 354.340 -0.809 20 0 FBADRM O=C([O-])c1sccc1NC(=O)CN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000833108376 601133804 /nfs/dbraw/zinc/13/38/04/601133804.db2.gz PMBASOADJKCXDR-MRVPVSSYSA-N -1 0 352.372 -0.973 20 0 FBADRM O=C([O-])c1sccc1NC(=O)CN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000833108377 601133756 /nfs/dbraw/zinc/13/37/56/601133756.db2.gz PMBASOADJKCXDR-QMMMGPOBSA-N -1 0 352.372 -0.973 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000833108403 602204471 /nfs/dbraw/zinc/20/44/71/602204471.db2.gz HYMYIXONZUGSSG-SKDRFNHKSA-N -1 0 350.310 -0.740 20 0 FBADRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1C[C@H](O)C[C@H](O)C1 ZINC000833108489 601450151 /nfs/dbraw/zinc/45/01/51/601450151.db2.gz LHHRPEMLNDNHPM-DVOMOZLQSA-N -1 0 361.398 -0.293 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1C[C@H](O)C[C@H](O)C1 ZINC000833108490 601450221 /nfs/dbraw/zinc/45/02/21/601450221.db2.gz LHHRPEMLNDNHPM-ZENOOKHLSA-N -1 0 361.398 -0.293 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)nn1 ZINC000833108520 601195600 /nfs/dbraw/zinc/19/56/00/601195600.db2.gz RFNBVUFDLPQWIB-UHFFFAOYSA-N -1 0 372.385 -0.241 20 0 FBADRM O=C([O-])[C@H](CO)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000833108683 604699468 /nfs/dbraw/zinc/69/94/68/604699468.db2.gz QMSQHBBNQDLQHV-JTQLQIEISA-N -1 0 350.352 -0.090 20 0 FBADRM O=C([O-])[C@@H](CO)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000833108684 604699803 /nfs/dbraw/zinc/69/98/03/604699803.db2.gz QMSQHBBNQDLQHV-SNVBAGLBSA-N -1 0 350.352 -0.090 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)c[nH]1 ZINC000833108845 600695953 /nfs/dbraw/zinc/69/59/53/600695953.db2.gz YTJPXRHRBNLMKX-UHFFFAOYSA-N -1 0 356.404 -0.702 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000833108904 602204428 /nfs/dbraw/zinc/20/44/28/602204428.db2.gz VPZIQAKKFSRGBD-SKDRFNHKSA-N -1 0 366.765 -0.226 20 0 FBADRM O=C([O-])c1ccc(C(=O)NCC(=O)NCCN2CCOCC2)cc1F ZINC000833109438 604313564 /nfs/dbraw/zinc/31/35/64/604313564.db2.gz AYXPQGOXMGBGMW-UHFFFAOYSA-N -1 0 353.350 -0.298 20 0 FBADRM O=C([O-])C1(NCC(=O)NCCOc2ccccc2)CCS(=O)(=O)CC1 ZINC000833109928 602061989 /nfs/dbraw/zinc/06/19/89/602061989.db2.gz DDBHKAHAOZYYKJ-UHFFFAOYSA-N -1 0 370.427 -0.197 20 0 FBADRM O=C([O-])[C@@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)C1CC1 ZINC000833110057 601969131 /nfs/dbraw/zinc/96/91/31/601969131.db2.gz KLYDRRUHVGIMJL-AWEZNQCLSA-N -1 0 354.384 -0.026 20 0 FBADRM O=C([O-])[C@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)C1CC1 ZINC000833110058 601969257 /nfs/dbraw/zinc/96/92/57/601969257.db2.gz KLYDRRUHVGIMJL-CQSZACIVSA-N -1 0 354.384 -0.026 20 0 FBADRM O=C([O-])c1ccc(NCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000833110116 602302775 /nfs/dbraw/zinc/30/27/75/602302775.db2.gz CHORAOXALMCXPZ-SECBINFHSA-N -1 0 373.362 -0.051 20 0 FBADRM O=C([O-])c1ccc(NCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1F ZINC000833110117 602302726 /nfs/dbraw/zinc/30/27/26/602302726.db2.gz CHORAOXALMCXPZ-VIFPVBQESA-N -1 0 373.362 -0.051 20 0 FBADRM O=C([O-])c1cccc(NCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000833110298 601810306 /nfs/dbraw/zinc/81/03/06/601810306.db2.gz HAMDIOQSWNHGCU-LLVKDONJSA-N -1 0 355.372 -0.190 20 0 FBADRM O=C([O-])c1cccc(NCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000833110299 601810245 /nfs/dbraw/zinc/81/02/45/601810245.db2.gz HAMDIOQSWNHGCU-NSHDSACASA-N -1 0 355.372 -0.190 20 0 FBADRM O=C(COC(=O)C1CC2(C1)NC(=O)NC2=O)Nc1cccc(C(=O)[O-])c1 ZINC000833110955 604607137 /nfs/dbraw/zinc/60/71/37/604607137.db2.gz BBLVNAFKDZGUDB-UHFFFAOYSA-N -1 0 361.310 -0.145 20 0 FBADRM O=C(COC(=O)C1CC2(C1)NC(=O)NC2=O)Nc1ccccc1C(=O)[O-] ZINC000833112884 604607193 /nfs/dbraw/zinc/60/71/93/604607193.db2.gz LOXYURYVQJQMDE-UHFFFAOYSA-N -1 0 361.310 -0.145 20 0 FBADRM O=C(COC(=O)C1CC2(C1)NC(=O)NC2=O)Nc1ccsc1C(=O)[O-] ZINC000833112980 604607183 /nfs/dbraw/zinc/60/71/83/604607183.db2.gz NFTHTDRKSKCMIX-UHFFFAOYSA-N -1 0 367.339 -0.084 20 0 FBADRM O=C(COC(=O)C1CC2(C1)NC(=O)NC2=O)Nc1ccc(C(=O)[O-])cc1 ZINC000833113758 604607162 /nfs/dbraw/zinc/60/71/62/604607162.db2.gz RWMVTVQVMAVXKY-UHFFFAOYSA-N -1 0 361.310 -0.145 20 0 FBADRM O=C(COC(=O)C1CC2(C1)NC(=O)NC2=O)NC1(C(=O)[O-])CCCCC1 ZINC000833114806 604607179 /nfs/dbraw/zinc/60/71/79/604607179.db2.gz YQLAFIOXKUHXJT-UHFFFAOYSA-N -1 0 367.358 -0.579 20 0 FBADRM O=C([O-])c1ccccc1NCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000833114810 601440980 /nfs/dbraw/zinc/44/09/80/601440980.db2.gz YRAIJCDDSKIVLJ-SECBINFHSA-N -1 0 355.372 -0.190 20 0 FBADRM O=C([O-])c1ccccc1NCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000833114811 601441071 /nfs/dbraw/zinc/44/10/71/601441071.db2.gz YRAIJCDDSKIVLJ-VIFPVBQESA-N -1 0 355.372 -0.190 20 0 FBADRM O=C(CSc1nnnn1CC(F)(F)F)N[C@]1(C(=O)[O-])CCOC1 ZINC000833117099 601737103 /nfs/dbraw/zinc/73/71/03/601737103.db2.gz ZSVJMTBOCSLSBA-SECBINFHSA-N -1 0 355.298 -0.313 20 0 FBADRM O=C(CSc1nnnn1CC(F)(F)F)N[C@@]1(C(=O)[O-])CCOC1 ZINC000833117117 601737048 /nfs/dbraw/zinc/73/70/48/601737048.db2.gz ZSVJMTBOCSLSBA-VIFPVBQESA-N -1 0 355.298 -0.313 20 0 FBADRM O=C(Cn1c(=O)[nH]c2ccccc21)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000833119268 601715274 /nfs/dbraw/zinc/71/52/74/601715274.db2.gz HQNWVJHZAZRFDO-UHFFFAOYSA-N -1 0 367.383 -0.110 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC000833120145 604712700 /nfs/dbraw/zinc/71/27/00/604712700.db2.gz PZJNIFCHHCADGR-CYBMUJFWSA-N -1 0 350.375 -0.133 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC000833120146 604712783 /nfs/dbraw/zinc/71/27/83/604712783.db2.gz PZJNIFCHHCADGR-ZDUSSCGKSA-N -1 0 350.375 -0.133 20 0 FBADRM O=C([O-])[C@@]1(F)CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1 ZINC000833120337 601651826 /nfs/dbraw/zinc/65/18/26/601651826.db2.gz UPKQKYMJNKYHIY-LLVKDONJSA-N -1 0 364.127 -0.263 20 0 FBADRM O=C([O-])[C@]1(F)CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1 ZINC000833120340 601651912 /nfs/dbraw/zinc/65/19/12/601651912.db2.gz UPKQKYMJNKYHIY-NSHDSACASA-N -1 0 364.127 -0.263 20 0 FBADRM O=C(Cn1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cn1)NC1CCCC1 ZINC000833120463 604550430 /nfs/dbraw/zinc/55/04/30/604550430.db2.gz XLIRRFPFCKAEDR-INIZCTEOSA-N -1 0 350.375 -0.085 20 0 FBADRM O=C(Cn1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cn1)NC1CCCC1 ZINC000833120464 604550649 /nfs/dbraw/zinc/55/06/49/604550649.db2.gz XLIRRFPFCKAEDR-MRXNPFEDSA-N -1 0 350.375 -0.085 20 0 FBADRM O=C([O-])c1cn(CC(=O)NCCN2CCN(c3ccccc3)CC2)nn1 ZINC000833120587 601275740 /nfs/dbraw/zinc/27/57/40/601275740.db2.gz FJCLIQZZPRMBQH-UHFFFAOYSA-N -1 0 358.402 -0.085 20 0 FBADRM O=C([O-])c1cn(CC(=O)NCCNS(=O)(=O)Cc2ccccc2)nn1 ZINC000833120604 601276373 /nfs/dbraw/zinc/27/63/73/601276373.db2.gz GIDAOFQISMDYAJ-UHFFFAOYSA-N -1 0 367.387 -0.788 20 0 FBADRM O=C([O-])c1cn(CC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)nn1 ZINC000833120648 601274320 /nfs/dbraw/zinc/27/43/20/601274320.db2.gz JYNZMNSFJBSMMC-UHFFFAOYSA-N -1 0 364.362 -0.653 20 0 FBADRM O=C([O-])c1cn(CC(=O)NCCNC(=O)c2c(F)cccc2F)nn1 ZINC000833120658 601285585 /nfs/dbraw/zinc/28/55/85/601285585.db2.gz KSECSUNSQIPFPL-UHFFFAOYSA-N -1 0 353.285 -0.199 20 0 FBADRM O=C([O-])c1cn(CC(=O)NCCCS(=O)(=O)c2ccccc2)nn1 ZINC000833120679 601279112 /nfs/dbraw/zinc/27/91/12/601279112.db2.gz MMTIXDWVTLIMNX-UHFFFAOYSA-N -1 0 352.372 -0.044 20 0 FBADRM O=C([O-])c1cn(CC(=O)NCCNS(=O)(=O)c2ccccc2)nn1 ZINC000833120688 601274322 /nfs/dbraw/zinc/27/43/22/601274322.db2.gz NBGCFYRBTRDTMZ-UHFFFAOYSA-N -1 0 353.360 -0.929 20 0 FBADRM O=C([O-])c1cn(CC(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)nn1 ZINC000833120760 601275013 /nfs/dbraw/zinc/27/50/13/601275013.db2.gz CZRJESPIXZQGOH-UHFFFAOYSA-N -1 0 358.314 -0.333 20 0 FBADRM O=C([O-])c1cn(CC(=O)NCCCN2CCN(c3ncccn3)CC2)nn1 ZINC000833120970 601195770 /nfs/dbraw/zinc/19/57/70/601195770.db2.gz VVMGQMDEJGWNCL-UHFFFAOYSA-N -1 0 374.405 -0.905 20 0 FBADRM O=C([O-])c1cn(CC(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)nn1 ZINC000833120974 601290623 /nfs/dbraw/zinc/29/06/23/601290623.db2.gz WCMDWZIWGVDCHS-UHFFFAOYSA-N -1 0 363.296 -0.107 20 0 FBADRM O=C([O-])c1cn(CC(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)nn1 ZINC000833121210 601280582 /nfs/dbraw/zinc/28/05/82/601280582.db2.gz FCUVGELEODKURM-UHFFFAOYSA-N -1 0 369.341 -0.083 20 0 FBADRM O=C([O-])c1cn(CC(=O)NCCS(=O)(=O)Cc2ccccc2)nn1 ZINC000833121223 601279204 /nfs/dbraw/zinc/27/92/04/601279204.db2.gz YWKGLNGYAIQZCD-UHFFFAOYSA-N -1 0 352.372 -0.293 20 0 FBADRM O=C([O-])c1cn(CC(=O)NCCCN2C(=O)COc3ccccc32)nn1 ZINC000833121266 601290230 /nfs/dbraw/zinc/29/02/30/601290230.db2.gz ZDPRYTXRKVSLHH-UHFFFAOYSA-N -1 0 359.342 -0.092 20 0 FBADRM O=C([O-])c1cn(CC(=O)NCCS(=O)(=O)NCc2ccccc2)nn1 ZINC000833121273 601276994 /nfs/dbraw/zinc/27/69/94/601276994.db2.gz ZOILOHHBOKCYNL-UHFFFAOYSA-N -1 0 367.387 -0.788 20 0 FBADRM O=C([O-])c1cn(CC(=O)NCc2cccc(C(=O)N3CCOCC3)c2)nn1 ZINC000833121287 601279104 /nfs/dbraw/zinc/27/91/04/601279104.db2.gz ZSSNZWHWEVUDDG-UHFFFAOYSA-N -1 0 373.369 -0.235 20 0 FBADRM O=C([O-])c1cn(CC(=O)NCc2ccc3c(c2)CCS3(=O)=O)nn1 ZINC000833121299 661159086 /nfs/dbraw/zinc/15/90/86/661159086.db2.gz ZYTZENNGZXNWMJ-UHFFFAOYSA-N -1 0 350.356 -0.378 20 0 FBADRM O=C([O-])c1cn(CC(=O)Nc2nc(CN3CCOCC3)cs2)nn1 ZINC000833121537 601277685 /nfs/dbraw/zinc/27/76/85/601277685.db2.gz HNRMBJDNSZVNIE-UHFFFAOYSA-N -1 0 352.376 -0.096 20 0 FBADRM O=C([O-])c1cn(CC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)nn1 ZINC000833121726 601196893 /nfs/dbraw/zinc/19/68/93/601196893.db2.gz NGBLVJWVERCSQY-UHFFFAOYSA-N -1 0 358.314 -0.333 20 0 FBADRM O=C([O-])c1cn(CC(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)nn1 ZINC000833121814 602402321 /nfs/dbraw/zinc/40/23/21/602402321.db2.gz MJDZPCKWKRIIGS-MRVPVSSYSA-N -1 0 356.285 -0.189 20 0 FBADRM O=C([O-])c1cn(CC(=O)NC[C@H](O)COc2ccc(F)c(F)c2)nn1 ZINC000833121816 602402306 /nfs/dbraw/zinc/40/23/06/602402306.db2.gz MJDZPCKWKRIIGS-QMMMGPOBSA-N -1 0 356.285 -0.189 20 0 FBADRM O=C([O-])c1cn(CC(=O)NC[C@@]2(N3CCOCC3)CCSC2)nn1 ZINC000833122040 601198395 /nfs/dbraw/zinc/19/83/95/601198395.db2.gz SBMMXNGTMMMYKD-AWEZNQCLSA-N -1 0 355.420 -0.700 20 0 FBADRM O=C([O-])c1cn(CC(=O)NC[C@]2(N3CCOCC3)CCSC2)nn1 ZINC000833122049 601198319 /nfs/dbraw/zinc/19/83/19/601198319.db2.gz SBMMXNGTMMMYKD-CQSZACIVSA-N -1 0 355.420 -0.700 20 0 FBADRM O=C([O-])c1cn(CC(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)nn1 ZINC000833122058 601387758 /nfs/dbraw/zinc/38/77/58/601387758.db2.gz SHLCVGKLFQVWPN-SECBINFHSA-N -1 0 364.314 -0.739 20 0 FBADRM O=C([O-])c1cn(CC(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)nn1 ZINC000833122065 601387906 /nfs/dbraw/zinc/38/79/06/601387906.db2.gz SHLCVGKLFQVWPN-VIFPVBQESA-N -1 0 364.314 -0.739 20 0 FBADRM O=C([O-])c1cn(CC(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nn1 ZINC000833122149 601275008 /nfs/dbraw/zinc/27/50/08/601275008.db2.gz UFIFQEOVZWWZMQ-UHFFFAOYSA-N -1 0 359.302 -0.687 20 0 FBADRM O=C([O-])c1cn(CC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)nn1 ZINC000833122317 601198943 /nfs/dbraw/zinc/19/89/43/601198943.db2.gz XCCBHLFZTHSXPJ-UHFFFAOYSA-N -1 0 372.385 -0.559 20 0 FBADRM O=C([O-])[C@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CC1 ZINC000833122448 601596478 /nfs/dbraw/zinc/59/64/78/601596478.db2.gz NJVAQGAIRUDYAG-BXKDBHETSA-N -1 0 357.388 -0.869 20 0 FBADRM O=C([O-])[C@@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CC1 ZINC000833122562 601596451 /nfs/dbraw/zinc/59/64/51/601596451.db2.gz NJVAQGAIRUDYAG-CABZTGNLSA-N -1 0 357.388 -0.869 20 0 FBADRM O=C([O-])[C@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CC1 ZINC000833122563 601596465 /nfs/dbraw/zinc/59/64/65/601596465.db2.gz NJVAQGAIRUDYAG-JOYOIKCWSA-N -1 0 357.388 -0.869 20 0 FBADRM O=C([O-])[C@@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CC1 ZINC000833122564 601596494 /nfs/dbraw/zinc/59/64/94/601596494.db2.gz NJVAQGAIRUDYAG-SKDRFNHKSA-N -1 0 357.388 -0.869 20 0 FBADRM O=C([O-])[C@]1(F)CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C1 ZINC000833122620 604868737 /nfs/dbraw/zinc/86/87/37/604868737.db2.gz HQBHKLOVHQOEMU-HNNXBMFYSA-N -1 0 367.337 -0.875 20 0 FBADRM O=C([O-])[C@@]1(F)CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C1 ZINC000833122621 604868842 /nfs/dbraw/zinc/86/88/42/604868842.db2.gz HQBHKLOVHQOEMU-OAHLLOKOSA-N -1 0 367.337 -0.875 20 0 FBADRM O=C([O-])[C@]1(F)CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000833122840 601725132 /nfs/dbraw/zinc/72/51/32/601725132.db2.gz PVJRSDJKAUCMDB-HNNXBMFYSA-N -1 0 369.353 -0.228 20 0 FBADRM O=C([O-])[C@@]1(F)CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000833122842 601725225 /nfs/dbraw/zinc/72/52/25/601725225.db2.gz PVJRSDJKAUCMDB-OAHLLOKOSA-N -1 0 369.353 -0.228 20 0 FBADRM O=C([O-])[C@]1(F)CCN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000833123120 601731486 /nfs/dbraw/zinc/73/14/86/601731486.db2.gz UNTBOYVZYUFUAM-HNNXBMFYSA-N -1 0 369.353 -0.228 20 0 FBADRM O=C([O-])[C@@]1(F)CCN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000833123121 601731627 /nfs/dbraw/zinc/73/16/27/601731627.db2.gz UNTBOYVZYUFUAM-OAHLLOKOSA-N -1 0 369.353 -0.228 20 0 FBADRM O=C([O-])c1ccsc1N1CC[C@H](NC(=O)Cn2cccnc2=O)C1=O ZINC000833123145 601110951 /nfs/dbraw/zinc/11/09/51/601110951.db2.gz WADKVSZAMIMLAC-JTQLQIEISA-N -1 0 362.367 -0.075 20 0 FBADRM O=C([O-])c1ccsc1N1CC[C@@H](NC(=O)Cn2cccnc2=O)C1=O ZINC000833123146 601110976 /nfs/dbraw/zinc/11/09/76/601110976.db2.gz WADKVSZAMIMLAC-SNVBAGLBSA-N -1 0 362.367 -0.075 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C1 ZINC000833123153 604868725 /nfs/dbraw/zinc/86/87/25/604868725.db2.gz WNGBSJUVERHYEG-JTQLQIEISA-N -1 0 363.374 -0.577 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C1 ZINC000833123154 604868832 /nfs/dbraw/zinc/86/88/32/604868832.db2.gz WNGBSJUVERHYEG-SNVBAGLBSA-N -1 0 363.374 -0.577 20 0 FBADRM O=C([O-])[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccccn1 ZINC000833126120 600908544 /nfs/dbraw/zinc/90/85/44/600908544.db2.gz MGJOZPSRBPZLQH-CYBMUJFWSA-N -1 0 362.367 -0.179 20 0 FBADRM O=C([O-])[C@@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccccn1 ZINC000833126122 600908753 /nfs/dbraw/zinc/90/87/53/600908753.db2.gz MGJOZPSRBPZLQH-ZDUSSCGKSA-N -1 0 362.367 -0.179 20 0 FBADRM O=C([O-])[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)C1CC1 ZINC000833126160 601592411 /nfs/dbraw/zinc/59/24/11/601592411.db2.gz ZFUOXNKVHTXCKQ-LLVKDONJSA-N -1 0 363.355 -0.309 20 0 FBADRM O=C([O-])[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)C1CC1 ZINC000833126164 601592852 /nfs/dbraw/zinc/59/28/52/601592852.db2.gz ZFUOXNKVHTXCKQ-NSHDSACASA-N -1 0 363.355 -0.309 20 0 FBADRM O=C([O-])[C@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccccn1 ZINC000833127042 600976340 /nfs/dbraw/zinc/97/63/40/600976340.db2.gz ZABNCRCPTOYJJI-GFCCVEGCSA-N -1 0 362.367 -0.179 20 0 FBADRM O=C([O-])[C@@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccccn1 ZINC000833127043 600976334 /nfs/dbraw/zinc/97/63/34/600976334.db2.gz ZABNCRCPTOYJJI-LBPRGKRZSA-N -1 0 362.367 -0.179 20 0 FBADRM O=C([O-])C1(NC(=O)[C@H]2COc3ccccc3O2)CCS(=O)(=O)CC1 ZINC000833127467 601716008 /nfs/dbraw/zinc/71/60/08/601716008.db2.gz NJXYKLAXEZQICB-GFCCVEGCSA-N -1 0 355.368 -0.025 20 0 FBADRM O=C([O-])C1(NC(=O)[C@@H]2COc3ccccc3O2)CCS(=O)(=O)CC1 ZINC000833127468 601715953 /nfs/dbraw/zinc/71/59/53/601715953.db2.gz NJXYKLAXEZQICB-LBPRGKRZSA-N -1 0 355.368 -0.025 20 0 FBADRM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCS(=O)(=O)CC1 ZINC000833127636 601717469 /nfs/dbraw/zinc/71/74/69/601717469.db2.gz SYFRUSXBJKSHFN-LLVKDONJSA-N -1 0 372.443 -0.074 20 0 FBADRM O=C([O-])C1(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCS(=O)(=O)CC1 ZINC000833127638 601717559 /nfs/dbraw/zinc/71/75/59/601717559.db2.gz SYFRUSXBJKSHFN-NSHDSACASA-N -1 0 372.443 -0.074 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)c2ccccc2O1 ZINC000833129160 601363639 /nfs/dbraw/zinc/36/36/39/601363639.db2.gz DZBUTSDZLHCMSH-HZMBPMFUSA-N -1 0 373.365 -0.255 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)c2ccccc2O1 ZINC000833129162 601363551 /nfs/dbraw/zinc/36/35/51/601363551.db2.gz DZBUTSDZLHCMSH-IINYFYTJSA-N -1 0 373.365 -0.255 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c2ccccc2O1 ZINC000833129164 601363586 /nfs/dbraw/zinc/36/35/86/601363586.db2.gz DZBUTSDZLHCMSH-QMTHXVAHSA-N -1 0 373.365 -0.255 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c2ccccc2O1 ZINC000833129166 601363618 /nfs/dbraw/zinc/36/36/18/601363618.db2.gz DZBUTSDZLHCMSH-YGRLFVJLSA-N -1 0 373.365 -0.255 20 0 FBADRM O=C([O-])C1(CNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCCC1 ZINC000833129504 601420802 /nfs/dbraw/zinc/42/08/02/601420802.db2.gz LZUKOEIABBCQHY-UHFFFAOYSA-N -1 0 366.418 -0.236 20 0 FBADRM O=C([O-])c1cc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)ccn1 ZINC000833129823 601288492 /nfs/dbraw/zinc/28/84/92/601288492.db2.gz SAVOVNSMVDUEAO-CYBMUJFWSA-N -1 0 362.386 -0.557 20 0 FBADRM O=C([O-])c1cc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)ccn1 ZINC000833129827 601288272 /nfs/dbraw/zinc/28/82/72/601288272.db2.gz SAVOVNSMVDUEAO-ZDUSSCGKSA-N -1 0 362.386 -0.557 20 0 FBADRM O=C([O-])c1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)ccn1 ZINC000833131729 601282019 /nfs/dbraw/zinc/28/20/19/601282019.db2.gz YWJCMHOWGGWBBR-CHWSQXEVSA-N -1 0 369.399 -0.993 20 0 FBADRM O=C([O-])c1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)ccn1 ZINC000833131730 601282156 /nfs/dbraw/zinc/28/21/56/601282156.db2.gz YWJCMHOWGGWBBR-OLZOCXBDSA-N -1 0 369.399 -0.993 20 0 FBADRM O=C([O-])c1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)ccn1 ZINC000833131731 601282118 /nfs/dbraw/zinc/28/21/18/601282118.db2.gz YWJCMHOWGGWBBR-QWHCGFSZSA-N -1 0 369.399 -0.993 20 0 FBADRM O=C([O-])c1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)ccn1 ZINC000833131732 601282092 /nfs/dbraw/zinc/28/20/92/601282092.db2.gz YWJCMHOWGGWBBR-STQMWFEESA-N -1 0 369.399 -0.993 20 0 FBADRM O=C([O-])C1(CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCCC1 ZINC000833133163 601650011 /nfs/dbraw/zinc/65/00/11/601650011.db2.gz ILTLULQCQRJNOK-AWEZNQCLSA-N -1 0 367.446 -0.072 20 0 FBADRM O=C([O-])C1(CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCCC1 ZINC000833133164 601650028 /nfs/dbraw/zinc/65/00/28/601650028.db2.gz ILTLULQCQRJNOK-CQSZACIVSA-N -1 0 367.446 -0.072 20 0 FBADRM O=C([O-])C1(CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCCC1 ZINC000833133219 601649224 /nfs/dbraw/zinc/64/92/24/601649224.db2.gz KGJSWEYSZRQUMU-NEPJUHHUSA-N -1 0 372.443 -0.217 20 0 FBADRM O=C([O-])C1(CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCCC1 ZINC000833133222 601649340 /nfs/dbraw/zinc/64/93/40/601649340.db2.gz KGJSWEYSZRQUMU-NWDGAFQWSA-N -1 0 372.443 -0.217 20 0 FBADRM O=C([O-])C1(CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCCC1 ZINC000833133225 601649251 /nfs/dbraw/zinc/64/92/51/601649251.db2.gz KGJSWEYSZRQUMU-RYUDHWBXSA-N -1 0 372.443 -0.217 20 0 FBADRM O=C([O-])C1(CNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCCC1 ZINC000833133228 601649298 /nfs/dbraw/zinc/64/92/98/601649298.db2.gz KGJSWEYSZRQUMU-VXGBXAGGSA-N -1 0 372.443 -0.217 20 0 FBADRM O=C([O-])c1csc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)c1 ZINC000833137351 604537499 /nfs/dbraw/zinc/53/74/99/604537499.db2.gz GWJDXNUVBBJATA-UHFFFAOYSA-N -1 0 354.344 -0.557 20 0 FBADRM O=C([O-])c1ccsc1NC(=O)C(=O)NCCCN1C(=O)CNC1=O ZINC000833137434 600891224 /nfs/dbraw/zinc/89/12/24/600891224.db2.gz MCLIEPWXSLEFGS-UHFFFAOYSA-N -1 0 354.344 -0.557 20 0 FBADRM O=C([O-])c1csc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)c1 ZINC000833137486 604534201 /nfs/dbraw/zinc/53/42/01/604534201.db2.gz BYLVCDLSGPMYII-UHFFFAOYSA-N -1 0 361.401 -0.464 20 0 FBADRM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 ZINC000833137905 601200956 /nfs/dbraw/zinc/20/09/56/601200956.db2.gz QGPHKELKHLHZCM-CABCVRRESA-N -1 0 367.446 -0.216 20 0 FBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 ZINC000833137906 601201112 /nfs/dbraw/zinc/20/11/12/601201112.db2.gz QGPHKELKHLHZCM-GJZGRUSLSA-N -1 0 367.446 -0.216 20 0 FBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 ZINC000833137907 601200823 /nfs/dbraw/zinc/20/08/23/601200823.db2.gz QGPHKELKHLHZCM-HUUCEWRRSA-N -1 0 367.446 -0.216 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 ZINC000833137908 601201134 /nfs/dbraw/zinc/20/11/34/601201134.db2.gz QGPHKELKHLHZCM-LSDHHAIUSA-N -1 0 367.446 -0.216 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)cc1F ZINC000833137922 601857071 /nfs/dbraw/zinc/85/70/71/601857071.db2.gz RJZOHSYXUAZZBH-UHFFFAOYSA-N -1 0 366.305 -0.480 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)cc1F ZINC000833138037 601859781 /nfs/dbraw/zinc/85/97/81/601859781.db2.gz JQOBUWRVEKSAJO-UHFFFAOYSA-N -1 0 351.290 -0.272 20 0 FBADRM O=C([O-])c1ccsc1NC(=O)C(=O)NCCC(=O)N1CCOCC1 ZINC000833138566 600868112 /nfs/dbraw/zinc/86/81/12/600868112.db2.gz ICSNYADICQAYRX-UHFFFAOYSA-N -1 0 355.372 -0.250 20 0 FBADRM O=C([O-])c1ccsc1NC(=O)C(=O)NCCN1CCCS1(=O)=O ZINC000833139588 600884434 /nfs/dbraw/zinc/88/44/34/600884434.db2.gz XINQVVDOFRURGY-UHFFFAOYSA-N -1 0 361.401 -0.464 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)cc1F ZINC000833139627 601855423 /nfs/dbraw/zinc/85/54/23/601855423.db2.gz YMVZQKLRZAGZBZ-UHFFFAOYSA-N -1 0 373.362 -0.386 20 0 FBADRM O=C([O-])c1csc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)c1 ZINC000833140099 604473993 /nfs/dbraw/zinc/47/39/93/604473993.db2.gz PQBNVAYQJYFKJV-UHFFFAOYSA-N -1 0 355.372 -0.250 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)cc1F ZINC000833140674 602402677 /nfs/dbraw/zinc/40/26/77/602402677.db2.gz SBEXZMQRCQEOEK-UHFFFAOYSA-N -1 0 367.333 -0.173 20 0 FBADRM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NCCO)c1 ZINC000833140705 602028205 /nfs/dbraw/zinc/02/82/05/602028205.db2.gz OCWCXDSDVRWOKR-CYBMUJFWSA-N -1 0 363.370 -0.187 20 0 FBADRM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NCCO)c1 ZINC000833140708 602028431 /nfs/dbraw/zinc/02/84/31/602028431.db2.gz OCWCXDSDVRWOKR-ZDUSSCGKSA-N -1 0 363.370 -0.187 20 0 FBADRM O=C([O-])c1ccc(CNC(=O)NCCNS(=O)(=O)Cc2ccon2)o1 ZINC000833141382 601457132 /nfs/dbraw/zinc/45/71/32/601457132.db2.gz VNCGTUJGSMQIJO-UHFFFAOYSA-N -1 0 372.359 -0.115 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@]2(O)CCSC2)c2ccccc2O1 ZINC000833141504 601344078 /nfs/dbraw/zinc/34/40/78/601344078.db2.gz ZDUUNOVKQSDBQL-BLLLJJGKSA-N -1 0 366.395 -0.151 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@]2(O)CCSC2)c2ccccc2O1 ZINC000833141508 601344181 /nfs/dbraw/zinc/34/41/81/601344181.db2.gz ZDUUNOVKQSDBQL-LRDDRELGSA-N -1 0 366.395 -0.151 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@]2(O)CCSC2)c2ccccc2O1 ZINC000833141513 601344074 /nfs/dbraw/zinc/34/40/74/601344074.db2.gz ZDUUNOVKQSDBQL-MLGOLLRUSA-N -1 0 366.395 -0.151 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@]2(O)CCSC2)c2ccccc2O1 ZINC000833141515 601344008 /nfs/dbraw/zinc/34/40/08/601344008.db2.gz ZDUUNOVKQSDBQL-WBMJQRKESA-N -1 0 366.395 -0.151 20 0 FBADRM O=C([O-])C1(CNC(=O)NCCS(=O)(=O)N2CCOCC2)CCCC1 ZINC000833143122 601414149 /nfs/dbraw/zinc/41/41/49/601414149.db2.gz FYWNEXHHMQPQGU-UHFFFAOYSA-N -1 0 363.436 -0.407 20 0 FBADRM O=C([O-])c1ccc(C(=O)NCCS(=O)(=O)N2CCOCC2)cc1F ZINC000833143159 604966210 /nfs/dbraw/zinc/96/62/10/604966210.db2.gz IDUJBCYWCRTCMA-UHFFFAOYSA-N -1 0 360.363 -0.084 20 0 FBADRM O=C([O-])c1cc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)ccn1 ZINC000833143421 601287042 /nfs/dbraw/zinc/28/70/42/601287042.db2.gz SHWRLCKEIRPNGV-GFCCVEGCSA-N -1 0 371.415 -0.002 20 0 FBADRM O=C([O-])c1cc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)ccn1 ZINC000833143422 601287061 /nfs/dbraw/zinc/28/70/61/601287061.db2.gz SHWRLCKEIRPNGV-LBPRGKRZSA-N -1 0 371.415 -0.002 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2nnnn2C2CC2)c2ccccc2O1 ZINC000833148269 600931673 /nfs/dbraw/zinc/93/16/73/600931673.db2.gz WQGQBNLRLBAMIE-GFCCVEGCSA-N -1 0 372.341 -0.497 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2nnnn2C2CC2)c2ccccc2O1 ZINC000833148270 600931666 /nfs/dbraw/zinc/93/16/66/600931666.db2.gz WQGQBNLRLBAMIE-LBPRGKRZSA-N -1 0 372.341 -0.497 20 0 FBADRM O=C([O-])c1csc(NC(=O)C(=O)N2CCO[C@H](Cn3cncn3)C2)c1 ZINC000833150333 604541328 /nfs/dbraw/zinc/54/13/28/604541328.db2.gz DNLRRUWHACZYLV-JTQLQIEISA-N -1 0 365.371 -0.096 20 0 FBADRM O=C([O-])c1csc(NC(=O)C(=O)N2CCO[C@@H](Cn3cncn3)C2)c1 ZINC000833150341 604541551 /nfs/dbraw/zinc/54/15/51/604541551.db2.gz DNLRRUWHACZYLV-SNVBAGLBSA-N -1 0 365.371 -0.096 20 0 FBADRM O=C([O-])c1ccc(F)c(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000833150580 601497626 /nfs/dbraw/zinc/49/76/26/601497626.db2.gz HDNXACPNFFWPIV-SECBINFHSA-N -1 0 350.306 -0.302 20 0 FBADRM O=C([O-])c1ccc(F)c(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)c1 ZINC000833150592 601497630 /nfs/dbraw/zinc/49/76/30/601497630.db2.gz HDNXACPNFFWPIV-VIFPVBQESA-N -1 0 350.306 -0.302 20 0 FBADRM O=C([O-])c1ccc(N2CCCC2)c(NC(=O)C(=O)NC(CO)CO)c1 ZINC000833150858 601346967 /nfs/dbraw/zinc/34/69/67/601346967.db2.gz KEBTXFKHJITQRS-UHFFFAOYSA-N -1 0 351.359 -0.607 20 0 FBADRM O=C([O-])[C@]1(F)CCN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000833151063 601482801 /nfs/dbraw/zinc/48/28/01/601482801.db2.gz ZZJPAXQJCKRIKO-AWEZNQCLSA-N -1 0 366.284 -0.235 20 0 FBADRM O=C([O-])[C@@]1(F)CCN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000833151067 601482824 /nfs/dbraw/zinc/48/28/24/601482824.db2.gz ZZJPAXQJCKRIKO-CQSZACIVSA-N -1 0 366.284 -0.235 20 0 FBADRM O=C([O-])c1cc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)c(F)cc1F ZINC000833152016 601497689 /nfs/dbraw/zinc/49/76/89/601497689.db2.gz RZKTXDCFTOHWNO-SSDOTTSWSA-N -1 0 368.296 -0.163 20 0 FBADRM O=C([O-])c1cc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)c(F)cc1F ZINC000833152019 601497722 /nfs/dbraw/zinc/49/77/22/601497722.db2.gz RZKTXDCFTOHWNO-ZETCQYMHSA-N -1 0 368.296 -0.163 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1F ZINC000833155180 601866048 /nfs/dbraw/zinc/86/60/48/601866048.db2.gz UWJBCVHHYIAQAB-SECBINFHSA-N -1 0 350.306 -0.302 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1F ZINC000833155182 601866065 /nfs/dbraw/zinc/86/60/65/601866065.db2.gz UWJBCVHHYIAQAB-VIFPVBQESA-N -1 0 350.306 -0.302 20 0 FBADRM O=C([O-])c1cc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)ccc1F ZINC000833156472 601497641 /nfs/dbraw/zinc/49/76/41/601497641.db2.gz IVJRWMUNDZOLEY-SECBINFHSA-N -1 0 350.306 -0.302 20 0 FBADRM O=C([O-])c1cc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)ccc1F ZINC000833156473 601497759 /nfs/dbraw/zinc/49/77/59/601497759.db2.gz IVJRWMUNDZOLEY-VIFPVBQESA-N -1 0 350.306 -0.302 20 0 FBADRM O=C([O-])c1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)c(OC(F)F)c1 ZINC000833157741 601483272 /nfs/dbraw/zinc/48/32/72/601483272.db2.gz PUXIYNPWODERTN-DTORHVGOSA-N -1 0 374.296 -0.121 20 0 FBADRM O=C([O-])[C@]1(F)CCN(C(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C1 ZINC000833158551 602132734 /nfs/dbraw/zinc/13/27/34/602132734.db2.gz ORHYAHFTJQNOJT-HNNXBMFYSA-N -1 0 370.358 -0.020 20 0 FBADRM O=C([O-])[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C1 ZINC000833158553 602132531 /nfs/dbraw/zinc/13/25/31/602132531.db2.gz ORHYAHFTJQNOJT-OAHLLOKOSA-N -1 0 370.358 -0.020 20 0 FBADRM O=C([O-])[C@]1(F)CCN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)C1 ZINC000833160924 601482333 /nfs/dbraw/zinc/48/23/33/601482333.db2.gz CKCSAMIZLIKAKA-INIZCTEOSA-N -1 0 366.349 -0.118 20 0 FBADRM O=C([O-])[C@@]1(F)CCN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)C1 ZINC000833160925 601482346 /nfs/dbraw/zinc/48/23/46/601482346.db2.gz CKCSAMIZLIKAKA-MRXNPFEDSA-N -1 0 366.349 -0.118 20 0 FBADRM O=C([O-])c1ccsc1NC(=O)C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000833162592 600897525 /nfs/dbraw/zinc/89/75/25/600897525.db2.gz KSHYJXMJZUURBK-SECBINFHSA-N -1 0 365.371 -0.096 20 0 FBADRM O=C([O-])c1ccsc1NC(=O)C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000833162595 600897448 /nfs/dbraw/zinc/89/74/48/600897448.db2.gz KSHYJXMJZUURBK-VIFPVBQESA-N -1 0 365.371 -0.096 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cnn(CCO)c2)c2ccccc2O1 ZINC000833165369 601762262 /nfs/dbraw/zinc/76/22/62/601762262.db2.gz HOJOLZMJEZAKFH-CYBMUJFWSA-N -1 0 360.326 -0.307 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cnn(CCO)c2)c2ccccc2O1 ZINC000833165370 601762268 /nfs/dbraw/zinc/76/22/68/601762268.db2.gz HOJOLZMJEZAKFH-ZDUSSCGKSA-N -1 0 360.326 -0.307 20 0 FBADRM O=C([O-])[C@H](c1cccnc1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000833174779 604801448 /nfs/dbraw/zinc/80/14/48/604801448.db2.gz WMNZXPIQOXSHQU-AWEZNQCLSA-N -1 0 362.386 -0.790 20 0 FBADRM O=C([O-])[C@@H](c1cccnc1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000833174781 604801098 /nfs/dbraw/zinc/80/10/98/604801098.db2.gz WMNZXPIQOXSHQU-CQSZACIVSA-N -1 0 362.386 -0.790 20 0 FBADRM O=C([O-])[C@@]1(F)CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000833175276 601391933 /nfs/dbraw/zinc/39/19/33/601391933.db2.gz DBUYMYAHDWAPII-CYBMUJFWSA-N -1 0 357.319 -0.596 20 0 FBADRM O=C([O-])[C@]1(F)CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000833175277 601392043 /nfs/dbraw/zinc/39/20/43/601392043.db2.gz DBUYMYAHDWAPII-ZDUSSCGKSA-N -1 0 357.319 -0.596 20 0 FBADRM O=C([O-])C1(NS(=O)(=O)N2CCCCCC2)CCS(=O)(=O)CC1 ZINC000833176111 601808679 /nfs/dbraw/zinc/80/86/79/601808679.db2.gz YJUWQRJFHWAVIQ-UHFFFAOYSA-N -1 0 354.450 -0.271 20 0 FBADRM O=C([O-])C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC1(CO)COC1 ZINC000833178535 601676121 /nfs/dbraw/zinc/67/61/21/601676121.db2.gz XCUDLYKMGROCBS-UHFFFAOYSA-N -1 0 366.355 -0.726 20 0 FBADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1 ZINC000833182638 600919856 /nfs/dbraw/zinc/91/98/56/600919856.db2.gz CLTNCMJCKPOACY-CRWXNKLISA-N -1 0 374.459 -0.509 20 0 FBADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1 ZINC000833182639 600919922 /nfs/dbraw/zinc/91/99/22/600919922.db2.gz CLTNCMJCKPOACY-DGAVXFQQSA-N -1 0 374.459 -0.509 20 0 FBADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1 ZINC000833182640 600919914 /nfs/dbraw/zinc/91/99/14/600919914.db2.gz CLTNCMJCKPOACY-REWJHTLYSA-N -1 0 374.459 -0.509 20 0 FBADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1 ZINC000833182641 600919881 /nfs/dbraw/zinc/91/98/81/600919881.db2.gz CLTNCMJCKPOACY-RFQIPJPRSA-N -1 0 374.459 -0.509 20 0 FBADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000833183606 600958131 /nfs/dbraw/zinc/95/81/31/600958131.db2.gz ZFZIEULAILERJQ-KFWWJZLASA-N -1 0 367.446 -0.073 20 0 FBADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000833183607 600958124 /nfs/dbraw/zinc/95/81/24/600958124.db2.gz ZFZIEULAILERJQ-RBSFLKMASA-N -1 0 367.446 -0.073 20 0 FBADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000833183608 600958063 /nfs/dbraw/zinc/95/80/63/600958063.db2.gz ZFZIEULAILERJQ-RRFJBIMHSA-N -1 0 367.446 -0.073 20 0 FBADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000833183609 600958051 /nfs/dbraw/zinc/95/80/51/600958051.db2.gz ZFZIEULAILERJQ-ZNMIVQPWSA-N -1 0 367.446 -0.073 20 0 FBADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000833185629 600926184 /nfs/dbraw/zinc/92/61/84/600926184.db2.gz OEKKEGTWAQTKMH-NEPJUHHUSA-N -1 0 350.379 -0.765 20 0 FBADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000833185632 600926062 /nfs/dbraw/zinc/92/60/62/600926062.db2.gz OEKKEGTWAQTKMH-NWDGAFQWSA-N -1 0 350.379 -0.765 20 0 FBADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000833185634 600926097 /nfs/dbraw/zinc/92/60/97/600926097.db2.gz OEKKEGTWAQTKMH-RYUDHWBXSA-N -1 0 350.379 -0.765 20 0 FBADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000833185636 600926220 /nfs/dbraw/zinc/92/62/20/600926220.db2.gz OEKKEGTWAQTKMH-VXGBXAGGSA-N -1 0 350.379 -0.765 20 0 FBADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000833186065 600872530 /nfs/dbraw/zinc/87/25/30/600872530.db2.gz QJPPPJOTPNOEBX-CABCVRRESA-N -1 0 367.446 -0.120 20 0 FBADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000833186127 600872463 /nfs/dbraw/zinc/87/24/63/600872463.db2.gz QJPPPJOTPNOEBX-GJZGRUSLSA-N -1 0 367.446 -0.120 20 0 FBADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000833186130 600872673 /nfs/dbraw/zinc/87/26/73/600872673.db2.gz QJPPPJOTPNOEBX-HUUCEWRRSA-N -1 0 367.446 -0.120 20 0 FBADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000833186131 600872675 /nfs/dbraw/zinc/87/26/75/600872675.db2.gz QJPPPJOTPNOEBX-LSDHHAIUSA-N -1 0 367.446 -0.120 20 0 FBADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000833186596 600835697 /nfs/dbraw/zinc/83/56/97/600835697.db2.gz SYCGXWQPFNTARI-CABCVRRESA-N -1 0 367.446 -0.120 20 0 FBADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000833186677 600835812 /nfs/dbraw/zinc/83/58/12/600835812.db2.gz SYCGXWQPFNTARI-GJZGRUSLSA-N -1 0 367.446 -0.120 20 0 FBADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000833186678 600835789 /nfs/dbraw/zinc/83/57/89/600835789.db2.gz SYCGXWQPFNTARI-HUUCEWRRSA-N -1 0 367.446 -0.120 20 0 FBADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000833186679 600835683 /nfs/dbraw/zinc/83/56/83/600835683.db2.gz SYCGXWQPFNTARI-LSDHHAIUSA-N -1 0 367.446 -0.120 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000833189009 601140954 /nfs/dbraw/zinc/14/09/54/601140954.db2.gz QZSXBLMNYPFXEN-JTQLQIEISA-N -1 0 360.392 -0.400 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000833189014 601140901 /nfs/dbraw/zinc/14/09/01/601140901.db2.gz QZSXBLMNYPFXEN-SNVBAGLBSA-N -1 0 360.392 -0.400 20 0 FBADRM O=C([O-])C1CCN(S(=O)(=O)N2CC[C@H](CN3CCOCC3)C2)CC1 ZINC000833191454 600772461 /nfs/dbraw/zinc/77/24/61/600772461.db2.gz BBSDBBVZRNHMSU-CYBMUJFWSA-N -1 0 361.464 -0.318 20 0 FBADRM O=C([O-])C1CCN(S(=O)(=O)N2CC[C@@H](CN3CCOCC3)C2)CC1 ZINC000833191455 600772476 /nfs/dbraw/zinc/77/24/76/600772476.db2.gz BBSDBBVZRNHMSU-ZDUSSCGKSA-N -1 0 361.464 -0.318 20 0 FBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCC[C@H]2CN2CCOCC2)CC1 ZINC000833191683 600784517 /nfs/dbraw/zinc/78/45/17/600784517.db2.gz WCUNKJDITUQFGV-AWEZNQCLSA-N -1 0 361.464 -0.176 20 0 FBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCC[C@@H]2CN2CCOCC2)CC1 ZINC000833191684 600784458 /nfs/dbraw/zinc/78/44/58/600784458.db2.gz WCUNKJDITUQFGV-CQSZACIVSA-N -1 0 361.464 -0.176 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CO)C2)c2ccccc2O1 ZINC000833191795 601456350 /nfs/dbraw/zinc/45/63/50/601456350.db2.gz FSLRXLZXFMOTAJ-GWCFXTLKSA-N -1 0 350.327 -0.915 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCO[C@H](CO)C2)c2ccccc2O1 ZINC000833191796 601456406 /nfs/dbraw/zinc/45/64/06/601456406.db2.gz FSLRXLZXFMOTAJ-GXFFZTMASA-N -1 0 350.327 -0.915 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CO)C2)c2ccccc2O1 ZINC000833191797 601456359 /nfs/dbraw/zinc/45/63/59/601456359.db2.gz FSLRXLZXFMOTAJ-MFKMUULPSA-N -1 0 350.327 -0.915 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](CO)C2)c2ccccc2O1 ZINC000833191798 601456402 /nfs/dbraw/zinc/45/64/02/601456402.db2.gz FSLRXLZXFMOTAJ-ZWNOBZJWSA-N -1 0 350.327 -0.915 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)c2ccccc2O1 ZINC000833191911 601497791 /nfs/dbraw/zinc/49/77/91/601497791.db2.gz MNFFLVJWRGABSJ-GWCFXTLKSA-N -1 0 374.353 -0.899 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)c2ccccc2O1 ZINC000833191912 601497748 /nfs/dbraw/zinc/49/77/48/601497748.db2.gz MNFFLVJWRGABSJ-GXFFZTMASA-N -1 0 374.353 -0.899 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)c2ccccc2O1 ZINC000833191913 601497647 /nfs/dbraw/zinc/49/76/47/601497647.db2.gz MNFFLVJWRGABSJ-MFKMUULPSA-N -1 0 374.353 -0.899 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)c2ccccc2O1 ZINC000833191914 601497710 /nfs/dbraw/zinc/49/77/10/601497710.db2.gz MNFFLVJWRGABSJ-ZWNOBZJWSA-N -1 0 374.353 -0.899 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000833192047 601721491 /nfs/dbraw/zinc/72/14/91/601721491.db2.gz GNZKBVCUQCQCBV-JTQLQIEISA-N -1 0 354.340 -0.857 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000833192048 601721526 /nfs/dbraw/zinc/72/15/26/601721526.db2.gz GNZKBVCUQCQCBV-SNVBAGLBSA-N -1 0 354.340 -0.857 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000833192117 601609690 /nfs/dbraw/zinc/60/96/90/601609690.db2.gz MTZNNKZNFUWBAH-GFCCVEGCSA-N -1 0 360.374 -0.347 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000833192120 601609603 /nfs/dbraw/zinc/60/96/03/601609603.db2.gz MTZNNKZNFUWBAH-LBPRGKRZSA-N -1 0 360.374 -0.347 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000833192122 601608424 /nfs/dbraw/zinc/60/84/24/601608424.db2.gz NFYQVVLDKNUMOD-KBPBESRZSA-N -1 0 369.418 -0.988 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000833192123 601608816 /nfs/dbraw/zinc/60/88/16/601608816.db2.gz NFYQVVLDKNUMOD-KGLIPLIRSA-N -1 0 369.418 -0.988 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000833192124 601608761 /nfs/dbraw/zinc/60/87/61/601608761.db2.gz NFYQVVLDKNUMOD-UONOGXRCSA-N -1 0 369.418 -0.988 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000833192125 601608822 /nfs/dbraw/zinc/60/88/22/601608822.db2.gz NFYQVVLDKNUMOD-ZIAGYGMSSA-N -1 0 369.418 -0.988 20 0 FBADRM O=C([O-])C1CCN(S(=O)(=O)NCCc2nnc3ccccn32)CC1 ZINC000833192148 601257824 /nfs/dbraw/zinc/25/78/24/601257824.db2.gz SCGZUQOFPDWARR-UHFFFAOYSA-N -1 0 353.404 -0.097 20 0 FBADRM O=C([O-])C1CCN(S(=O)(=O)NCCS(=O)(=O)CC2CC2)CC1 ZINC000833192209 602224931 /nfs/dbraw/zinc/22/49/31/602224931.db2.gz VQDKHHRFGDIZBC-UHFFFAOYSA-N -1 0 354.450 -0.558 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)C(=O)C2)c2ccccc2O1 ZINC000833192302 601198426 /nfs/dbraw/zinc/19/84/26/601198426.db2.gz WSNAYGQMEBZIJJ-AWEZNQCLSA-N -1 0 373.365 -0.302 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)C(=O)C2)c2ccccc2O1 ZINC000833192304 601198470 /nfs/dbraw/zinc/19/84/70/601198470.db2.gz WSNAYGQMEBZIJJ-CQSZACIVSA-N -1 0 373.365 -0.302 20 0 FBADRM O=C([O-])[C@@H]1COCCN1C(=O)CSc1nnnn1CC(F)(F)F ZINC000833193328 601607842 /nfs/dbraw/zinc/60/78/42/601607842.db2.gz TWFHCUMPZJXFIM-LURJTMIESA-N -1 0 355.298 -0.361 20 0 FBADRM O=C([O-])[C@H]1COCCN1C(=O)CSc1nnnn1CC(F)(F)F ZINC000833193329 601607641 /nfs/dbraw/zinc/60/76/41/601607641.db2.gz TWFHCUMPZJXFIM-ZCFIWIBFSA-N -1 0 355.298 -0.361 20 0 FBADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN1CCN2C(=O)NC[C@@H]2C1 ZINC000833194694 601462528 /nfs/dbraw/zinc/46/25/28/601462528.db2.gz MXQVOHUAMACJAQ-CABCVRRESA-N -1 0 358.398 -0.266 20 0 FBADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN1CCN2C(=O)NC[C@H]2C1 ZINC000833194695 601462473 /nfs/dbraw/zinc/46/24/73/601462473.db2.gz MXQVOHUAMACJAQ-GJZGRUSLSA-N -1 0 358.398 -0.266 20 0 FBADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CN1CCN2C(=O)NC[C@@H]2C1 ZINC000833194696 601462178 /nfs/dbraw/zinc/46/21/78/601462178.db2.gz MXQVOHUAMACJAQ-HUUCEWRRSA-N -1 0 358.398 -0.266 20 0 FBADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CN1CCN2C(=O)NC[C@H]2C1 ZINC000833194697 601462560 /nfs/dbraw/zinc/46/25/60/601462560.db2.gz MXQVOHUAMACJAQ-LSDHHAIUSA-N -1 0 358.398 -0.266 20 0 FBADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC000833195624 601474559 /nfs/dbraw/zinc/47/45/59/601474559.db2.gz JTAUXTNSXWKPBQ-HNNXBMFYSA-N -1 0 352.412 -0.073 20 0 FBADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC000833195625 601474627 /nfs/dbraw/zinc/47/46/27/601474627.db2.gz JTAUXTNSXWKPBQ-OAHLLOKOSA-N -1 0 352.412 -0.073 20 0 FBADRM O=C([O-])CC1(CS(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC000833201749 601130439 /nfs/dbraw/zinc/13/04/39/601130439.db2.gz JQTGHXANJRDDLS-UHFFFAOYSA-N -1 0 359.448 -0.533 20 0 FBADRM O=C([O-])CC1(CS(=O)(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000833201992 601918397 /nfs/dbraw/zinc/91/83/97/601918397.db2.gz OHQKDHVDYQRFAF-UHFFFAOYSA-N -1 0 373.475 -0.189 20 0 FBADRM O=C([O-])CC1(CS(=O)(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000833202160 601130556 /nfs/dbraw/zinc/13/05/56/601130556.db2.gz TVXMXJNGLNWEDN-GFCCVEGCSA-N -1 0 360.432 -0.106 20 0 FBADRM O=C([O-])CC1(CS(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000833202161 601130569 /nfs/dbraw/zinc/13/05/69/601130569.db2.gz TVXMXJNGLNWEDN-LBPRGKRZSA-N -1 0 360.432 -0.106 20 0 FBADRM O=C([O-])CC1(CS(=O)(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000833202530 601132135 /nfs/dbraw/zinc/13/21/35/601132135.db2.gz HKSGDCGYWCTWEO-UHFFFAOYSA-N -1 0 372.447 -0.055 20 0 FBADRM O=C([O-])CC1(CS(=O)(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000833202637 601514971 /nfs/dbraw/zinc/51/49/71/601514971.db2.gz LMZFDLAVQOIUTQ-UHFFFAOYSA-N -1 0 368.477 -0.120 20 0 FBADRM O=C([O-])CC1(CS(=O)(=O)NCCCN2CCCS2(=O)=O)CC1 ZINC000833202884 601512930 /nfs/dbraw/zinc/51/29/30/601512930.db2.gz RWYDJSRHOBNBRZ-UHFFFAOYSA-N -1 0 354.450 -0.414 20 0 FBADRM O=C([O-])CC1(CS(=O)(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000833203020 601520748 /nfs/dbraw/zinc/52/07/48/601520748.db2.gz XGWOQIGRCILGAH-GFCCVEGCSA-N -1 0 360.432 -0.059 20 0 FBADRM O=C([O-])CC1(CS(=O)(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000833203021 601520723 /nfs/dbraw/zinc/52/07/23/601520723.db2.gz XGWOQIGRCILGAH-LBPRGKRZSA-N -1 0 360.432 -0.059 20 0 FBADRM O=C([O-])CC1(CS(=O)(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)CC1 ZINC000833203035 602401405 /nfs/dbraw/zinc/40/14/05/602401405.db2.gz XSPMYOZQCWFNHJ-LKFCYVNXSA-N -1 0 359.404 -0.461 20 0 FBADRM O=C([O-])CC1(CS(=O)(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)CC1 ZINC000833203036 602401489 /nfs/dbraw/zinc/40/14/89/602401489.db2.gz XSPMYOZQCWFNHJ-OTYXRUKQSA-N -1 0 359.404 -0.461 20 0 FBADRM O=C([O-])CC1(CS(=O)(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)CC1 ZINC000833203037 602401484 /nfs/dbraw/zinc/40/14/84/602401484.db2.gz XSPMYOZQCWFNHJ-XPTSAGLGSA-N -1 0 359.404 -0.461 20 0 FBADRM O=C([O-])CC1(CS(=O)(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)CC1 ZINC000833203038 602401494 /nfs/dbraw/zinc/40/14/94/602401494.db2.gz XSPMYOZQCWFNHJ-YMTOWFKASA-N -1 0 359.404 -0.461 20 0 FBADRM O=C([O-])CC1(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CCC1 ZINC000833203330 601431824 /nfs/dbraw/zinc/43/18/24/601431824.db2.gz HMMVZTDRLMUGAI-JTQLQIEISA-N -1 0 371.415 -0.335 20 0 FBADRM O=C([O-])CC1(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CCC1 ZINC000833203332 601431770 /nfs/dbraw/zinc/43/17/70/601431770.db2.gz HMMVZTDRLMUGAI-SNVBAGLBSA-N -1 0 371.415 -0.335 20 0 FBADRM O=C([O-])CC1(NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CCOCC1 ZINC000833203500 601428040 /nfs/dbraw/zinc/42/80/40/601428040.db2.gz VNRMUPJNKLHJKX-CYBMUJFWSA-N -1 0 369.399 -0.143 20 0 FBADRM O=C([O-])CC1(NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CCOCC1 ZINC000833203501 601427902 /nfs/dbraw/zinc/42/79/02/601427902.db2.gz VNRMUPJNKLHJKX-ZDUSSCGKSA-N -1 0 369.399 -0.143 20 0 FBADRM O=C([O-])CC1(NC(=O)CSCC(=O)N2CCOCC2)CCOCC1 ZINC000833203789 601330179 /nfs/dbraw/zinc/33/01/79/601330179.db2.gz ZKFCAVYUSBCEFR-UHFFFAOYSA-N -1 0 360.432 -0.282 20 0 FBADRM O=C([O-])CC1(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCC1 ZINC000833205486 601443794 /nfs/dbraw/zinc/44/37/94/601443794.db2.gz BBRZEUSSDKUGKH-UHFFFAOYSA-N -1 0 353.356 -0.108 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccn2)CC1 ZINC000833206294 600886732 /nfs/dbraw/zinc/88/67/32/600886732.db2.gz RYSDSTCVEKQPBZ-CYBMUJFWSA-N -1 0 361.402 -0.995 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccn2)CC1 ZINC000833206296 600886761 /nfs/dbraw/zinc/88/67/61/600886761.db2.gz RYSDSTCVEKQPBZ-ZDUSSCGKSA-N -1 0 361.402 -0.995 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)CNC(=O)c1cc2ccccc2[nH]1 ZINC000833206696 600859870 /nfs/dbraw/zinc/85/98/70/600859870.db2.gz ZGTORBHXZVQFOD-CYBMUJFWSA-N -1 0 358.354 -0.301 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)CNC(=O)c1cc2ccccc2[nH]1 ZINC000833206697 600859876 /nfs/dbraw/zinc/85/98/76/600859876.db2.gz ZGTORBHXZVQFOD-ZDUSSCGKSA-N -1 0 358.354 -0.301 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)CCC(=O)Nc1nnc(C2CC2)o1 ZINC000833206698 601275712 /nfs/dbraw/zinc/27/57/12/601275712.db2.gz ZIJXUJZTGWPXHI-SECBINFHSA-N -1 0 365.346 -0.533 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)CCC(=O)Nc1nnc(C2CC2)o1 ZINC000833206699 601275562 /nfs/dbraw/zinc/27/55/62/601275562.db2.gz ZIJXUJZTGWPXHI-VIFPVBQESA-N -1 0 365.346 -0.533 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000833206901 600887596 /nfs/dbraw/zinc/88/75/96/600887596.db2.gz CRXOPGFVRZLUQT-CHWSQXEVSA-N -1 0 373.365 -0.693 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000833206902 600887701 /nfs/dbraw/zinc/88/77/01/600887701.db2.gz CRXOPGFVRZLUQT-OLZOCXBDSA-N -1 0 373.365 -0.693 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000833206903 600887488 /nfs/dbraw/zinc/88/74/88/600887488.db2.gz CRXOPGFVRZLUQT-QWHCGFSZSA-N -1 0 373.365 -0.693 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000833206904 600887660 /nfs/dbraw/zinc/88/76/60/600887660.db2.gz CRXOPGFVRZLUQT-STQMWFEESA-N -1 0 373.365 -0.693 20 0 FBADRM O=C([O-])C[C@H]1CCCN1C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000833206963 604661994 /nfs/dbraw/zinc/66/19/94/604661994.db2.gz GYLYOFNSOUCODN-GFCCVEGCSA-N -1 0 363.374 -0.434 20 0 FBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000833206964 604661890 /nfs/dbraw/zinc/66/18/90/604661890.db2.gz GYLYOFNSOUCODN-LBPRGKRZSA-N -1 0 363.374 -0.434 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1CCC(=O)NC(=O)NCC(F)(F)F ZINC000833207335 601311011 /nfs/dbraw/zinc/31/10/11/601311011.db2.gz KOLDGWAJQOKHKR-SSDOTTSWSA-N -1 0 354.285 -0.960 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1CCC(=O)NC(=O)NCC(F)(F)F ZINC000833207338 601310672 /nfs/dbraw/zinc/31/06/72/601310672.db2.gz KOLDGWAJQOKHKR-ZETCQYMHSA-N -1 0 354.285 -0.960 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000833207369 602317718 /nfs/dbraw/zinc/31/77/18/602317718.db2.gz LITUFAHSUFCOFK-GFCCVEGCSA-N -1 0 365.367 -0.508 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000833207378 602317768 /nfs/dbraw/zinc/31/77/68/602317768.db2.gz LITUFAHSUFCOFK-LBPRGKRZSA-N -1 0 365.367 -0.508 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000833207423 602304405 /nfs/dbraw/zinc/30/44/05/602304405.db2.gz NAHMHFVRIAMXGU-CYBMUJFWSA-N -1 0 361.333 -0.119 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000833207424 602304424 /nfs/dbraw/zinc/30/44/24/602304424.db2.gz NAHMHFVRIAMXGU-ZDUSSCGKSA-N -1 0 361.333 -0.119 20 0 FBADRM O=C([O-])C[C@H]1C(=O)NCCN1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000833207803 601973088 /nfs/dbraw/zinc/97/30/88/601973088.db2.gz QIQJPPUUFRZLEO-INIZCTEOSA-N -1 0 374.441 -0.394 20 0 FBADRM O=C([O-])C[C@@H]1C(=O)NCCN1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000833207804 601973160 /nfs/dbraw/zinc/97/31/60/601973160.db2.gz QIQJPPUUFRZLEO-MRXNPFEDSA-N -1 0 374.441 -0.394 20 0 FBADRM O=C([O-])C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000833207918 604570939 /nfs/dbraw/zinc/57/09/39/604570939.db2.gz HNLICTNUJBCZNZ-GRYCIOLGSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000833207920 604570946 /nfs/dbraw/zinc/57/09/46/604570946.db2.gz HNLICTNUJBCZNZ-SDDRHHMPSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000833207921 604571016 /nfs/dbraw/zinc/57/10/16/604571016.db2.gz HNLICTNUJBCZNZ-SRVKXCTJSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000833207922 604570977 /nfs/dbraw/zinc/57/09/77/604570977.db2.gz HNLICTNUJBCZNZ-WOPDTQHZSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000833208390 604572547 /nfs/dbraw/zinc/57/25/47/604572547.db2.gz KQAOUWMNEPKPPN-KBPBESRZSA-N -1 0 353.419 -0.367 20 0 FBADRM O=C([O-])C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000833208391 604572552 /nfs/dbraw/zinc/57/25/52/604572552.db2.gz KQAOUWMNEPKPPN-KGLIPLIRSA-N -1 0 353.419 -0.367 20 0 FBADRM O=C([O-])C[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000833208392 604572386 /nfs/dbraw/zinc/57/23/86/604572386.db2.gz KQAOUWMNEPKPPN-UONOGXRCSA-N -1 0 353.419 -0.367 20 0 FBADRM O=C([O-])C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000833208393 604572621 /nfs/dbraw/zinc/57/26/21/604572621.db2.gz KQAOUWMNEPKPPN-ZIAGYGMSSA-N -1 0 353.419 -0.367 20 0 FBADRM O=C([O-])C[C@H]1CCCN1C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000833209027 604586152 /nfs/dbraw/zinc/58/61/52/604586152.db2.gz YXIZRKYZKPDIHX-GHMZBOCLSA-N -1 0 371.415 -0.382 20 0 FBADRM O=C([O-])C[C@H]1CCCN1C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000833209028 604586116 /nfs/dbraw/zinc/58/61/16/604586116.db2.gz YXIZRKYZKPDIHX-MNOVXSKESA-N -1 0 371.415 -0.382 20 0 FBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000833209029 604586031 /nfs/dbraw/zinc/58/60/31/604586031.db2.gz YXIZRKYZKPDIHX-QWRGUYRKSA-N -1 0 371.415 -0.382 20 0 FBADRM O=C([O-])C[C@@H]1CCCN1C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000833209030 604586177 /nfs/dbraw/zinc/58/61/77/604586177.db2.gz YXIZRKYZKPDIHX-WDEREUQCSA-N -1 0 371.415 -0.382 20 0 FBADRM O=C([O-])C[C@H]1CCCN1C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000833209094 604527532 /nfs/dbraw/zinc/52/75/32/604527532.db2.gz AKMLLLBVMBRCRJ-LLVKDONJSA-N -1 0 360.392 -0.257 20 0 FBADRM O=C([O-])C[C@@H]1CCCN1C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000833209095 604527853 /nfs/dbraw/zinc/52/78/53/604527853.db2.gz AKMLLLBVMBRCRJ-NSHDSACASA-N -1 0 360.392 -0.257 20 0 FBADRM O=C([O-])CC1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000833213186 601141088 /nfs/dbraw/zinc/14/10/88/601141088.db2.gz NJTVTCIRSIWGLL-UHFFFAOYSA-N -1 0 374.419 -0.010 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CCO1 ZINC000833213761 601494547 /nfs/dbraw/zinc/49/45/47/601494547.db2.gz ABWQKOLROFVIHH-GFCCVEGCSA-N -1 0 360.330 -0.697 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CCO1 ZINC000833213762 601494488 /nfs/dbraw/zinc/49/44/88/601494488.db2.gz ABWQKOLROFVIHH-LBPRGKRZSA-N -1 0 360.330 -0.697 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cn3cncn3)cc2)CCO1 ZINC000833213810 601493626 /nfs/dbraw/zinc/49/36/26/601493626.db2.gz BQQCJXJRBOIRJT-AWEZNQCLSA-N -1 0 373.369 -0.033 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cn3cncn3)cc2)CCO1 ZINC000833213811 601493569 /nfs/dbraw/zinc/49/35/69/601493569.db2.gz BQQCJXJRBOIRJT-CQSZACIVSA-N -1 0 373.369 -0.033 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-n3ccnn3)c2)CCO1 ZINC000833214080 604868377 /nfs/dbraw/zinc/86/83/77/604868377.db2.gz FIUKDNZHWVRPQK-CYBMUJFWSA-N -1 0 359.342 -0.092 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2cccc(-n3ccnn3)c2)CCO1 ZINC000833214081 604868489 /nfs/dbraw/zinc/86/84/89/604868489.db2.gz FIUKDNZHWVRPQK-ZDUSSCGKSA-N -1 0 359.342 -0.092 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CCO1 ZINC000833214178 601493530 /nfs/dbraw/zinc/49/35/30/601493530.db2.gz HABPKZYCVLSGBW-LLVKDONJSA-N -1 0 360.330 -0.697 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CCO1 ZINC000833214180 601493681 /nfs/dbraw/zinc/49/36/81/601493681.db2.gz HABPKZYCVLSGBW-NSHDSACASA-N -1 0 360.330 -0.697 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3nccn3)cc2)CCO1 ZINC000833214225 601491247 /nfs/dbraw/zinc/49/12/47/601491247.db2.gz HUOVGBNXJYRIKE-CYBMUJFWSA-N -1 0 359.342 -0.092 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3nccn3)cc2)CCO1 ZINC000833214226 601491354 /nfs/dbraw/zinc/49/13/54/601491354.db2.gz HUOVGBNXJYRIKE-ZDUSSCGKSA-N -1 0 359.342 -0.092 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)CCO1 ZINC000833214423 601492053 /nfs/dbraw/zinc/49/20/53/601492053.db2.gz JHLLTGNRHNHMJJ-CYBMUJFWSA-N -1 0 359.342 -0.092 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)CCO1 ZINC000833214425 601491956 /nfs/dbraw/zinc/49/19/56/601491956.db2.gz JHLLTGNRHNHMJJ-ZDUSSCGKSA-N -1 0 359.342 -0.092 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CCO1 ZINC000833214721 601492025 /nfs/dbraw/zinc/49/20/25/601492025.db2.gz PXOYLZGZXDXQPZ-GFCCVEGCSA-N -1 0 361.354 -0.387 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CCO1 ZINC000833214726 601492068 /nfs/dbraw/zinc/49/20/68/601492068.db2.gz PXOYLZGZXDXQPZ-LBPRGKRZSA-N -1 0 361.354 -0.387 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CCO1 ZINC000833214846 601494508 /nfs/dbraw/zinc/49/45/08/601494508.db2.gz SFRNWCPEONMOSR-JTQLQIEISA-N -1 0 363.326 -0.342 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CCO1 ZINC000833214849 601494507 /nfs/dbraw/zinc/49/45/07/601494507.db2.gz SFRNWCPEONMOSR-SNVBAGLBSA-N -1 0 363.326 -0.342 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)CCO1 ZINC000833214985 601495451 /nfs/dbraw/zinc/49/54/51/601495451.db2.gz UCXPJPBHFCEHMN-JTQLQIEISA-N -1 0 363.326 -0.342 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)CCO1 ZINC000833214987 601495570 /nfs/dbraw/zinc/49/55/70/601495570.db2.gz UCXPJPBHFCEHMN-SNVBAGLBSA-N -1 0 363.326 -0.342 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3cccn3)nc2)CCO1 ZINC000833215059 601495624 /nfs/dbraw/zinc/49/56/24/601495624.db2.gz VZDAFDRVBANQNL-GFCCVEGCSA-N -1 0 359.342 -0.092 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3cccn3)nc2)CCO1 ZINC000833215060 601495454 /nfs/dbraw/zinc/49/54/54/601495454.db2.gz VZDAFDRVBANQNL-LBPRGKRZSA-N -1 0 359.342 -0.092 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CCO1 ZINC000833215066 601492926 /nfs/dbraw/zinc/49/29/26/601492926.db2.gz WDDKLOJLELKTME-GFCCVEGCSA-N -1 0 360.330 -0.697 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CCO1 ZINC000833215068 601492988 /nfs/dbraw/zinc/49/29/88/601492988.db2.gz WDDKLOJLELKTME-LBPRGKRZSA-N -1 0 360.330 -0.697 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3ccnc3)nc2)CCO1 ZINC000833215179 601493808 /nfs/dbraw/zinc/49/38/08/601493808.db2.gz YSXNEWPIPDZFRB-GFCCVEGCSA-N -1 0 359.342 -0.092 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3ccnc3)nc2)CCO1 ZINC000833215180 601493900 /nfs/dbraw/zinc/49/39/00/601493900.db2.gz YSXNEWPIPDZFRB-LBPRGKRZSA-N -1 0 359.342 -0.092 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2Cn2cncn2)CCO1 ZINC000833215246 601492961 /nfs/dbraw/zinc/49/29/61/601492961.db2.gz BKOPQWMQVHXNAU-CYBMUJFWSA-N -1 0 373.369 -0.033 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2ccccc2Cn2cncn2)CCO1 ZINC000833215247 601492882 /nfs/dbraw/zinc/49/28/82/601492882.db2.gz BKOPQWMQVHXNAU-ZDUSSCGKSA-N -1 0 373.369 -0.033 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccccn3)c2)CCO1 ZINC000833215320 601629963 /nfs/dbraw/zinc/62/99/63/601629963.db2.gz FMBPLRLXNRRLQR-GFCCVEGCSA-N -1 0 359.342 -0.092 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccccn3)c2)CCO1 ZINC000833215321 601629961 /nfs/dbraw/zinc/62/99/61/601629961.db2.gz FMBPLRLXNRRLQR-LBPRGKRZSA-N -1 0 359.342 -0.092 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2-n2cccn2)CCO1 ZINC000833215324 601492912 /nfs/dbraw/zinc/49/29/12/601492912.db2.gz FOBMQTYBUNHKMJ-LLVKDONJSA-N -1 0 359.342 -0.092 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2cccnc2-n2cccn2)CCO1 ZINC000833215325 601493038 /nfs/dbraw/zinc/49/30/38/601493038.db2.gz FOBMQTYBUNHKMJ-NSHDSACASA-N -1 0 359.342 -0.092 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccccn3)n2)CCO1 ZINC000833215392 602288042 /nfs/dbraw/zinc/28/80/42/602288042.db2.gz IORHFAATJGGCCT-CYBMUJFWSA-N -1 0 373.369 -0.033 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccccn3)n2)CCO1 ZINC000833215393 602288195 /nfs/dbraw/zinc/28/81/95/602288195.db2.gz IORHFAATJGGCCT-ZDUSSCGKSA-N -1 0 373.369 -0.033 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)CCO1 ZINC000833215476 601491282 /nfs/dbraw/zinc/49/12/82/601491282.db2.gz KRIPMMVWXPWZAH-CYBMUJFWSA-N -1 0 373.369 -0.033 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)CCO1 ZINC000833215477 601491394 /nfs/dbraw/zinc/49/13/94/601491394.db2.gz KRIPMMVWXPWZAH-ZDUSSCGKSA-N -1 0 373.369 -0.033 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CCO1 ZINC000833215478 601630098 /nfs/dbraw/zinc/63/00/98/601630098.db2.gz KTWPDOGNXVCPGF-LLVKDONJSA-N -1 0 360.330 -0.697 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CCO1 ZINC000833215479 601629964 /nfs/dbraw/zinc/62/99/64/601629964.db2.gz KTWPDOGNXVCPGF-NSHDSACASA-N -1 0 360.330 -0.697 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cn3cncn3)c2)CCO1 ZINC000833215562 601494543 /nfs/dbraw/zinc/49/45/43/601494543.db2.gz OFGCDPNQPHRXBJ-AWEZNQCLSA-N -1 0 373.369 -0.033 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cn3cncn3)c2)CCO1 ZINC000833215563 601494479 /nfs/dbraw/zinc/49/44/79/601494479.db2.gz OFGCDPNQPHRXBJ-CQSZACIVSA-N -1 0 373.369 -0.033 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CCO1 ZINC000833215720 601737673 /nfs/dbraw/zinc/73/76/73/601737673.db2.gz SZZLANMYJMCIAH-NOZJJQNGSA-N -1 0 355.372 -0.581 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CCO1 ZINC000833215721 601737712 /nfs/dbraw/zinc/73/77/12/601737712.db2.gz SZZLANMYJMCIAH-RNCFNFMXSA-N -1 0 355.372 -0.581 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CCO1 ZINC000833215722 601737688 /nfs/dbraw/zinc/73/76/88/601737688.db2.gz SZZLANMYJMCIAH-TVQRCGJNSA-N -1 0 355.372 -0.581 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CCO1 ZINC000833215723 601737666 /nfs/dbraw/zinc/73/76/66/601737666.db2.gz SZZLANMYJMCIAH-ZANVPECISA-N -1 0 355.372 -0.581 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CCO1 ZINC000833215931 601739792 /nfs/dbraw/zinc/73/97/92/601739792.db2.gz DYGJAFLAGOSSRB-JTQLQIEISA-N -1 0 368.367 -0.467 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CCO1 ZINC000833215933 601739667 /nfs/dbraw/zinc/73/96/67/601739667.db2.gz DYGJAFLAGOSSRB-SNVBAGLBSA-N -1 0 368.367 -0.467 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CCO1 ZINC000833216097 601864987 /nfs/dbraw/zinc/86/49/87/601864987.db2.gz ZJYFOMABEJYTGG-CHWSQXEVSA-N -1 0 366.374 -0.297 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CCO1 ZINC000833216098 601865118 /nfs/dbraw/zinc/86/51/18/601865118.db2.gz ZJYFOMABEJYTGG-OLZOCXBDSA-N -1 0 366.374 -0.297 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CCO1 ZINC000833216099 601864959 /nfs/dbraw/zinc/86/49/59/601864959.db2.gz ZJYFOMABEJYTGG-QWHCGFSZSA-N -1 0 366.374 -0.297 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CCO1 ZINC000833216100 601865012 /nfs/dbraw/zinc/86/50/12/601865012.db2.gz ZJYFOMABEJYTGG-STQMWFEESA-N -1 0 366.374 -0.297 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2ccnn2)CCO1 ZINC000833216107 601491336 /nfs/dbraw/zinc/49/13/36/601491336.db2.gz ZPXLIZMBMDNQQL-LLVKDONJSA-N -1 0 359.342 -0.092 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2ccccc2-n2ccnn2)CCO1 ZINC000833216108 601491445 /nfs/dbraw/zinc/49/14/45/601491445.db2.gz ZPXLIZMBMDNQQL-NSHDSACASA-N -1 0 359.342 -0.092 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cncn2)CCO1 ZINC000833216119 601495470 /nfs/dbraw/zinc/49/54/70/601495470.db2.gz ZVBDGWWLDPXKAU-LLVKDONJSA-N -1 0 359.342 -0.092 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cncn2)CCO1 ZINC000833216120 601495479 /nfs/dbraw/zinc/49/54/79/601495479.db2.gz ZVBDGWWLDPXKAU-NSHDSACASA-N -1 0 359.342 -0.092 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)COCC(=O)NCc2cccnc2)CCO1 ZINC000833216149 601669320 /nfs/dbraw/zinc/66/93/20/601669320.db2.gz HOCKVFXKSRESKE-CYBMUJFWSA-N -1 0 351.359 -0.584 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)COCC(=O)NCc2cccnc2)CCO1 ZINC000833216150 601669253 /nfs/dbraw/zinc/66/92/53/601669253.db2.gz HOCKVFXKSRESKE-ZDUSSCGKSA-N -1 0 351.359 -0.584 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CCO1 ZINC000833216163 601669676 /nfs/dbraw/zinc/66/96/76/601669676.db2.gz INWZRHNBMMNLFF-LLVKDONJSA-N -1 0 353.375 -0.057 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CCO1 ZINC000833216164 601669536 /nfs/dbraw/zinc/66/95/36/601669536.db2.gz INWZRHNBMMNLFF-NSHDSACASA-N -1 0 353.375 -0.057 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccnc2)CCO1 ZINC000833216191 601667457 /nfs/dbraw/zinc/66/74/57/601667457.db2.gz JRRFKSRQGQDLKV-LLVKDONJSA-N -1 0 357.388 -0.548 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccnc2)CCO1 ZINC000833216192 601667447 /nfs/dbraw/zinc/66/74/47/601667447.db2.gz JRRFKSRQGQDLKV-NSHDSACASA-N -1 0 357.388 -0.548 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)CNC(=O)c2cnc3ccccc3c2O)CCO1 ZINC000833216213 601741751 /nfs/dbraw/zinc/74/17/51/601741751.db2.gz KVDHRXOTOJUNAX-LLVKDONJSA-N -1 0 373.365 -0.040 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)CNC(=O)c2cnc3ccccc3c2O)CCO1 ZINC000833216217 601741956 /nfs/dbraw/zinc/74/19/56/601741956.db2.gz KVDHRXOTOJUNAX-NSHDSACASA-N -1 0 373.365 -0.040 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CCO1 ZINC000833216428 601667404 /nfs/dbraw/zinc/66/74/04/601667404.db2.gz PPIPIUUOTXDNOH-LLVKDONJSA-N -1 0 353.375 -0.057 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CCO1 ZINC000833216429 601667363 /nfs/dbraw/zinc/66/73/63/601667363.db2.gz PPIPIUUOTXDNOH-NSHDSACASA-N -1 0 353.375 -0.057 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CCO1 ZINC000833217178 601728572 /nfs/dbraw/zinc/72/85/72/601728572.db2.gz BDQZGDDLIPWZFQ-GFCCVEGCSA-N -1 0 351.363 -0.131 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CCO1 ZINC000833217181 601728428 /nfs/dbraw/zinc/72/84/28/601728428.db2.gz BDQZGDDLIPWZFQ-LBPRGKRZSA-N -1 0 351.363 -0.131 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)NCCS(=O)(=O)NCC2CCC2)CCO1 ZINC000833217597 601775034 /nfs/dbraw/zinc/77/50/34/601775034.db2.gz JQISITVXKNVOAD-GFCCVEGCSA-N -1 0 363.436 -0.409 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)NCCS(=O)(=O)NCC2CCC2)CCO1 ZINC000833217599 601774966 /nfs/dbraw/zinc/77/49/66/601774966.db2.gz JQISITVXKNVOAD-LBPRGKRZSA-N -1 0 363.436 -0.409 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)Nc2cnn(CCN3CCOCC3)c2)CCO1 ZINC000833218116 601731914 /nfs/dbraw/zinc/73/19/14/601731914.db2.gz RQXWTXKEZZSNSM-AWEZNQCLSA-N -1 0 367.406 -0.077 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)Nc2cnn(CCN3CCOCC3)c2)CCO1 ZINC000833218118 601732120 /nfs/dbraw/zinc/73/21/20/601732120.db2.gz RQXWTXKEZZSNSM-CQSZACIVSA-N -1 0 367.406 -0.077 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CCO1 ZINC000833218124 601780738 /nfs/dbraw/zinc/78/07/38/601780738.db2.gz VFIMRPPDDOJZTE-CHWSQXEVSA-N -1 0 355.391 -0.349 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CCO1 ZINC000833218126 601780796 /nfs/dbraw/zinc/78/07/96/601780796.db2.gz VFIMRPPDDOJZTE-OLZOCXBDSA-N -1 0 355.391 -0.349 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)NCCCn2nc3n(c2=O)CCCC3)CCO1 ZINC000833218208 601768195 /nfs/dbraw/zinc/76/81/95/601768195.db2.gz NSVXUVQZRIORJI-GFCCVEGCSA-N -1 0 367.406 -0.344 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)NCCCn2nc3n(c2=O)CCCC3)CCO1 ZINC000833218209 601768392 /nfs/dbraw/zinc/76/83/92/601768392.db2.gz NSVXUVQZRIORJI-LBPRGKRZSA-N -1 0 367.406 -0.344 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2)CCO1 ZINC000833218226 601764794 /nfs/dbraw/zinc/76/47/94/601764794.db2.gz OEPSXZURZRDQST-GFCCVEGCSA-N -1 0 371.415 -0.150 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2)CCO1 ZINC000833218227 601764819 /nfs/dbraw/zinc/76/48/19/601764819.db2.gz OEPSXZURZRDQST-LBPRGKRZSA-N -1 0 371.415 -0.150 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CCO1 ZINC000833218274 601780725 /nfs/dbraw/zinc/78/07/25/601780725.db2.gz VFIMRPPDDOJZTE-QWHCGFSZSA-N -1 0 355.391 -0.349 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CCO1 ZINC000833218275 601781056 /nfs/dbraw/zinc/78/10/56/601781056.db2.gz VFIMRPPDDOJZTE-STQMWFEESA-N -1 0 355.391 -0.349 20 0 FBADRM O=C([O-])C[C@@H]1CN(C(=O)Nc2ccn(CCN3CCOCC3)n2)CCO1 ZINC000833218800 601725263 /nfs/dbraw/zinc/72/52/63/601725263.db2.gz RVMBPGXQZIJUCB-CYBMUJFWSA-N -1 0 367.406 -0.077 20 0 FBADRM O=C([O-])C[C@H]1CN(C(=O)Nc2ccn(CCN3CCOCC3)n2)CCO1 ZINC000833218801 601725075 /nfs/dbraw/zinc/72/50/75/601725075.db2.gz RVMBPGXQZIJUCB-ZDUSSCGKSA-N -1 0 367.406 -0.077 20 0 FBADRM O=C([O-])C[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CCO1 ZINC000833219726 601397725 /nfs/dbraw/zinc/39/77/25/601397725.db2.gz AHJXNKODNFBUJD-MRVPVSSYSA-N -1 0 369.355 -0.095 20 0 FBADRM O=C([O-])C[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CCO1 ZINC000833219727 601397799 /nfs/dbraw/zinc/39/77/99/601397799.db2.gz AHJXNKODNFBUJD-QMMMGPOBSA-N -1 0 369.355 -0.095 20 0 FBADRM O=C([O-])C[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCO1 ZINC000833219778 601398693 /nfs/dbraw/zinc/39/86/93/601398693.db2.gz CZINXTCRIGSKFO-MRVPVSSYSA-N -1 0 369.355 -0.919 20 0 FBADRM O=C([O-])C[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCO1 ZINC000833219779 601398567 /nfs/dbraw/zinc/39/85/67/601398567.db2.gz CZINXTCRIGSKFO-QMMMGPOBSA-N -1 0 369.355 -0.919 20 0 FBADRM O=C([O-])C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CCO1 ZINC000833220424 601397871 /nfs/dbraw/zinc/39/78/71/601397871.db2.gz STETWNBJLFSSOS-LLVKDONJSA-N -1 0 354.384 -0.163 20 0 FBADRM O=C([O-])C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CCO1 ZINC000833220425 601398110 /nfs/dbraw/zinc/39/81/10/601398110.db2.gz STETWNBJLFSSOS-NSHDSACASA-N -1 0 354.384 -0.163 20 0 FBADRM O=C([O-])C[C@@H]1CN(CC(=O)Nc2cc(-n3cnnn3)ccc2F)CCO1 ZINC000833220710 602206322 /nfs/dbraw/zinc/20/63/22/602206322.db2.gz FISAYXZYFBDTEO-LLVKDONJSA-N -1 0 364.337 -0.085 20 0 FBADRM O=C([O-])C[C@H]1CN(CC(=O)Nc2cc(-n3cnnn3)ccc2F)CCO1 ZINC000833220711 602206097 /nfs/dbraw/zinc/20/60/97/602206097.db2.gz FISAYXZYFBDTEO-NSHDSACASA-N -1 0 364.337 -0.085 20 0 FBADRM O=C([O-])C[C@@H]1CN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CCO1 ZINC000833222944 601457526 /nfs/dbraw/zinc/45/75/26/601457526.db2.gz UKCQIABLZMMDHW-CYBMUJFWSA-N -1 0 365.386 -0.261 20 0 FBADRM O=C([O-])C[C@H]1CN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CCO1 ZINC000833222947 601457779 /nfs/dbraw/zinc/45/77/79/601457779.db2.gz UKCQIABLZMMDHW-ZDUSSCGKSA-N -1 0 365.386 -0.261 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000833227088 604866541 /nfs/dbraw/zinc/86/65/41/604866541.db2.gz XETOSRKLAPMEPC-UHFFFAOYSA-N -1 0 365.390 -0.139 20 0 FBADRM O=C([O-])CCCS(=O)(=O)N1CCc2ncnc(N3CCOCC3)c2C1 ZINC000833227759 601522130 /nfs/dbraw/zinc/52/21/30/601522130.db2.gz BWJCCFBLWRXEDW-UHFFFAOYSA-N -1 0 370.431 -0.134 20 0 FBADRM O=C([O-])CCCOc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)cc1 ZINC000833227984 601483444 /nfs/dbraw/zinc/48/34/44/601483444.db2.gz VVALNFYFMDTUKI-BETUJISGSA-N -1 0 366.370 -0.177 20 0 FBADRM O=C([O-])CCCS(=O)(=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000833228020 601638097 /nfs/dbraw/zinc/63/80/97/601638097.db2.gz XXKZDDNCVTXRFH-UHFFFAOYSA-N -1 0 372.399 -0.156 20 0 FBADRM O=C([O-])CCCNC(=S)NCCNS(=O)(=O)Cc1ccon1 ZINC000833228454 601394293 /nfs/dbraw/zinc/39/42/93/601394293.db2.gz WOMZQNXKZSFQTO-UHFFFAOYSA-N -1 0 350.422 -0.577 20 0 FBADRM O=C([O-])CCCS(=O)(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000833229265 604810780 /nfs/dbraw/zinc/81/07/80/604810780.db2.gz WQHBLHIUTWAKDK-UHFFFAOYSA-N -1 0 351.406 -0.856 20 0 FBADRM O=C([O-])CCN(Cc1ccncc1)C(=O)CN1CCS(=O)(=O)CC1 ZINC000833234039 601515123 /nfs/dbraw/zinc/51/51/23/601515123.db2.gz BSCIHHGVFZYHLG-UHFFFAOYSA-N -1 0 355.416 -0.385 20 0 FBADRM O=C([O-])CCNC(=O)COC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000833237486 600684548 /nfs/dbraw/zinc/68/45/48/600684548.db2.gz ZGUQRMYTBQLFEW-GFCCVEGCSA-N -1 0 362.338 -0.361 20 0 FBADRM O=C([O-])CCNC(=O)COC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000833237487 600684630 /nfs/dbraw/zinc/68/46/30/600684630.db2.gz ZGUQRMYTBQLFEW-LBPRGKRZSA-N -1 0 362.338 -0.361 20 0 FBADRM O=C([O-])CCc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000833239092 601497757 /nfs/dbraw/zinc/49/77/57/601497757.db2.gz XRWBSVFEXOIBTI-CYBMUJFWSA-N -1 0 360.370 -0.122 20 0 FBADRM O=C([O-])CCc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000833239094 601497784 /nfs/dbraw/zinc/49/77/84/601497784.db2.gz XRWBSVFEXOIBTI-ZDUSSCGKSA-N -1 0 360.370 -0.122 20 0 FBADRM O=C([O-])CN(C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CC1 ZINC000833241503 601637040 /nfs/dbraw/zinc/63/70/40/601637040.db2.gz FNGXVQONJIAHSL-JTQLQIEISA-N -1 0 357.388 -0.773 20 0 FBADRM O=C([O-])CN(C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CC1 ZINC000833241507 601636899 /nfs/dbraw/zinc/63/68/99/601636899.db2.gz FNGXVQONJIAHSL-SNVBAGLBSA-N -1 0 357.388 -0.773 20 0 FBADRM O=C([O-])CN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C1CCOCC1 ZINC000833242532 661159278 /nfs/dbraw/zinc/15/92/78/661159278.db2.gz RNQYHNDGARMUIG-UHFFFAOYSA-N -1 0 369.399 -0.424 20 0 FBADRM O=C([O-])CN(C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)C1CCOCC1 ZINC000833242542 601427224 /nfs/dbraw/zinc/42/72/24/601427224.db2.gz OKCZVIOZLBVWPD-AWEZNQCLSA-N -1 0 369.399 -0.191 20 0 FBADRM O=C([O-])CN(C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)C1CCOCC1 ZINC000833242546 601427276 /nfs/dbraw/zinc/42/72/76/601427276.db2.gz OKCZVIOZLBVWPD-CQSZACIVSA-N -1 0 369.399 -0.191 20 0 FBADRM O=C([O-])CN(C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CCCC1 ZINC000833243117 601870488 /nfs/dbraw/zinc/87/04/88/601870488.db2.gz XHGPVMULNXOFHN-AAEUAGOBSA-N -1 0 372.443 -0.122 20 0 FBADRM O=C([O-])CN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CCCC1 ZINC000833243119 601870515 /nfs/dbraw/zinc/87/05/15/601870515.db2.gz XHGPVMULNXOFHN-DGCLKSJQSA-N -1 0 372.443 -0.122 20 0 FBADRM O=C([O-])CN(C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CCCC1 ZINC000833243122 601870616 /nfs/dbraw/zinc/87/06/16/601870616.db2.gz XHGPVMULNXOFHN-WCQYABFASA-N -1 0 372.443 -0.122 20 0 FBADRM O=C([O-])CN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CCCC1 ZINC000833243124 601871160 /nfs/dbraw/zinc/87/11/60/601871160.db2.gz XHGPVMULNXOFHN-YPMHNXCESA-N -1 0 372.443 -0.122 20 0 FBADRM O=C([O-])CN(C(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C1CC1 ZINC000833244230 604305683 /nfs/dbraw/zinc/30/56/83/604305683.db2.gz AEHJPFGTUXFIQY-UHFFFAOYSA-N -1 0 361.402 -0.019 20 0 FBADRM O=C([O-])CN(C(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)C1CC1 ZINC000833246014 601634514 /nfs/dbraw/zinc/63/45/14/601634514.db2.gz RSSVRGNFNWEBRG-UHFFFAOYSA-N -1 0 363.355 -0.213 20 0 FBADRM O=C([O-])CN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000833247147 602332259 /nfs/dbraw/zinc/33/22/59/602332259.db2.gz CUHQGRKYELJXDA-JTQLQIEISA-N -1 0 361.420 -0.672 20 0 FBADRM O=C([O-])CN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000833247149 602332651 /nfs/dbraw/zinc/33/26/51/602332651.db2.gz CUHQGRKYELJXDA-SNVBAGLBSA-N -1 0 361.420 -0.672 20 0 FBADRM O=C([O-])CN(CC(=O)N1CCN(c2cnccn2)CC1)C1CCOCC1 ZINC000833247868 601048379 /nfs/dbraw/zinc/04/83/79/601048379.db2.gz YSDIEVLASIVQIM-UHFFFAOYSA-N -1 0 363.418 -0.309 20 0 FBADRM O=C([O-])CN(CC(=O)N1CCN(C(=O)C2CC2)CC1)C1CCOCC1 ZINC000833247873 600856151 /nfs/dbraw/zinc/85/61/51/600856151.db2.gz YXNDTYRQLJONOP-UHFFFAOYSA-N -1 0 353.419 -0.367 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)c1cn(Cc2ccccn2)nn1 ZINC000833247920 600883476 /nfs/dbraw/zinc/88/34/76/600883476.db2.gz BNADTYQMGSIZTG-UHFFFAOYSA-N -1 0 374.401 -0.420 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)CC(=O)Nc1nc(C2CC2)no1 ZINC000833247938 604473944 /nfs/dbraw/zinc/47/39/44/604473944.db2.gz CQRLJVDFKGIPRH-UHFFFAOYSA-N -1 0 353.379 -0.396 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000833247939 600985119 /nfs/dbraw/zinc/98/51/19/600985119.db2.gz CQROAUIBWKCSQB-KBPBESRZSA-N -1 0 351.403 -0.386 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000833247940 600985538 /nfs/dbraw/zinc/98/55/38/600985538.db2.gz CQROAUIBWKCSQB-OKILXGFUSA-N -1 0 351.403 -0.386 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000833247941 600985388 /nfs/dbraw/zinc/98/53/88/600985388.db2.gz CQROAUIBWKCSQB-ZIAGYGMSSA-N -1 0 351.403 -0.386 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000833247986 601186280 /nfs/dbraw/zinc/18/62/80/601186280.db2.gz GBQMKBFZMBWBKA-GFCCVEGCSA-N -1 0 365.390 -0.992 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000833247987 601186202 /nfs/dbraw/zinc/18/62/02/601186202.db2.gz GBQMKBFZMBWBKA-LBPRGKRZSA-N -1 0 365.390 -0.992 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)CN1C(=O)C[C@]2(CCSC2)C1=O ZINC000833248107 600985265 /nfs/dbraw/zinc/98/52/65/600985265.db2.gz LALVVQXGSFEMHO-INIZCTEOSA-N -1 0 371.459 -0.455 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)CN1C(=O)C[C@@]2(CCSC2)C1=O ZINC000833248110 600985401 /nfs/dbraw/zinc/98/54/01/600985401.db2.gz LALVVQXGSFEMHO-MRXNPFEDSA-N -1 0 371.459 -0.455 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)CN1C(=O)NC2(CCCCC2)C1=O ZINC000833248434 600985228 /nfs/dbraw/zinc/98/52/28/600985228.db2.gz RXBJHBFSYHLRMO-UHFFFAOYSA-N -1 0 368.434 -0.083 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)CN1CC2(CC1=O)CCOCC2 ZINC000833248444 661159291 /nfs/dbraw/zinc/15/92/91/661159291.db2.gz SUKZLDVZCDWDRA-UHFFFAOYSA-N -1 0 355.435 -0.308 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)Cn1nnn(-c2ccccc2)c1=O ZINC000833248491 600985403 /nfs/dbraw/zinc/98/54/03/600985403.db2.gz MVOCQNBNYBGDER-UHFFFAOYSA-N -1 0 362.390 -0.895 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)S(=O)(=O)CC[C@H]1CCCO1 ZINC000833248542 602154789 /nfs/dbraw/zinc/15/47/89/602154789.db2.gz QUIRFZILUXNNDN-CYBMUJFWSA-N -1 0 350.437 -0.396 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)S(=O)(=O)CC[C@@H]1CCCO1 ZINC000833248543 602154707 /nfs/dbraw/zinc/15/47/07/602154707.db2.gz QUIRFZILUXNNDN-ZDUSSCGKSA-N -1 0 350.437 -0.396 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)S(=O)(=O)c1cccc2nonc21 ZINC000833248545 602207605 /nfs/dbraw/zinc/20/76/05/602207605.db2.gz QZCQPALNSPDMCT-UHFFFAOYSA-N -1 0 370.387 -0.370 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)Cn1nc2c(cc1=O)CCCC2 ZINC000833248561 600985325 /nfs/dbraw/zinc/98/53/25/600985325.db2.gz SKRDCWAQRQJLMB-UHFFFAOYSA-N -1 0 350.419 -0.202 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)S(=O)(=O)CC1CCOCC1 ZINC000833248571 600743792 /nfs/dbraw/zinc/74/37/92/600743792.db2.gz UHJIIFXHSIWBPO-UHFFFAOYSA-N -1 0 350.437 -0.538 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CNC(=O)c1cccnc1 ZINC000833248619 602252086 /nfs/dbraw/zinc/25/20/86/602252086.db2.gz VWMSTXXQBIPJFP-UHFFFAOYSA-N -1 0 350.375 -0.943 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)CN1C(=O)CC2(CCCC2)C1=O ZINC000833248662 600985138 /nfs/dbraw/zinc/98/51/38/600985138.db2.gz XOVRHRRZLANSFP-UHFFFAOYSA-N -1 0 353.419 -0.018 20 0 FBADRM O=C([O-])CNC(=O)CN1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000833250507 604758619 /nfs/dbraw/zinc/75/86/19/604758619.db2.gz INEUEPHJBSVDFT-AWEZNQCLSA-N -1 0 351.403 -0.755 20 0 FBADRM O=C([O-])CNC(=O)CN1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000833250509 604758773 /nfs/dbraw/zinc/75/87/73/604758773.db2.gz INEUEPHJBSVDFT-CQSZACIVSA-N -1 0 351.403 -0.755 20 0 FBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)C(=O)NCCn2cccn2)cc1 ZINC000833251592 600880314 /nfs/dbraw/zinc/88/03/14/600880314.db2.gz FXEBBNSIIWAQQJ-UHFFFAOYSA-N -1 0 373.369 -0.619 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)c1cnn(CC(=O)NC2CCCCC2)c1 ZINC000833251602 601190490 /nfs/dbraw/zinc/19/04/90/601190490.db2.gz HMTCHYGAJBVMHF-UHFFFAOYSA-N -1 0 366.374 -0.310 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)N[C@H](CCO)C2CC2)cc1 ZINC000833251659 601363839 /nfs/dbraw/zinc/36/38/39/601363839.db2.gz AQOPWJMLGNIGCI-CYBMUJFWSA-N -1 0 363.370 -0.283 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](CCO)C2CC2)cc1 ZINC000833251660 601363893 /nfs/dbraw/zinc/36/38/93/601363893.db2.gz AQOPWJMLGNIGCI-ZDUSSCGKSA-N -1 0 363.370 -0.283 20 0 FBADRM O=C([O-])CNC(=O)COC(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC000833251777 604610014 /nfs/dbraw/zinc/61/00/14/604610014.db2.gz PGCDCAJRJDOOSR-UHFFFAOYSA-N -1 0 352.347 -0.701 20 0 FBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)C(=O)NCC2(CO)CC2)cc1 ZINC000833251783 601342522 /nfs/dbraw/zinc/34/25/22/601342522.db2.gz PPTIYIXUMBCPKV-UHFFFAOYSA-N -1 0 363.370 -0.743 20 0 FBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCSC2)cc1 ZINC000833251795 600926760 /nfs/dbraw/zinc/92/67/60/600926760.db2.gz RAWYGZOAXMMIOV-GFCCVEGCSA-N -1 0 365.411 -0.010 20 0 FBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CCSC2)cc1 ZINC000833251796 600926798 /nfs/dbraw/zinc/92/67/98/600926798.db2.gz RAWYGZOAXMMIOV-LBPRGKRZSA-N -1 0 365.411 -0.010 20 0 FBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C2CC2)cc1 ZINC000833251808 601353792 /nfs/dbraw/zinc/35/37/92/601353792.db2.gz UGTBPGAZKINGOS-CYBMUJFWSA-N -1 0 363.370 -0.745 20 0 FBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)C(=O)NC[C@H](O)C2CC2)cc1 ZINC000833251809 601353810 /nfs/dbraw/zinc/35/38/10/601353810.db2.gz UGTBPGAZKINGOS-ZDUSSCGKSA-N -1 0 363.370 -0.745 20 0 FBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)C(=O)NCCn2cccc2)cc1 ZINC000833251855 601869391 /nfs/dbraw/zinc/86/93/91/601869391.db2.gz YYXMXXGCOFEQRE-UHFFFAOYSA-N -1 0 372.381 -0.014 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000833251908 601347272 /nfs/dbraw/zinc/34/72/72/601347272.db2.gz IMMCJDNICHCOEK-CHWSQXEVSA-N -1 0 363.370 -0.141 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000833251909 601347183 /nfs/dbraw/zinc/34/71/83/601347183.db2.gz IMMCJDNICHCOEK-OLZOCXBDSA-N -1 0 363.370 -0.141 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000833251910 601347087 /nfs/dbraw/zinc/34/70/87/601347087.db2.gz IMMCJDNICHCOEK-QWHCGFSZSA-N -1 0 363.370 -0.141 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000833251911 601347105 /nfs/dbraw/zinc/34/71/05/601347105.db2.gz IMMCJDNICHCOEK-STQMWFEESA-N -1 0 363.370 -0.141 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]2O)cc1 ZINC000833251952 600925943 /nfs/dbraw/zinc/92/59/43/600925943.db2.gz KCOSLZYHUWOEPN-AAEUAGOBSA-N -1 0 363.370 -0.283 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@H]2O)cc1 ZINC000833251954 600925899 /nfs/dbraw/zinc/92/58/99/600925899.db2.gz KCOSLZYHUWOEPN-DGCLKSJQSA-N -1 0 363.370 -0.283 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]2O)cc1 ZINC000833251956 600925956 /nfs/dbraw/zinc/92/59/56/600925956.db2.gz KCOSLZYHUWOEPN-WCQYABFASA-N -1 0 363.370 -0.283 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2O)cc1 ZINC000833251958 600925968 /nfs/dbraw/zinc/92/59/68/600925968.db2.gz KCOSLZYHUWOEPN-YPMHNXCESA-N -1 0 363.370 -0.283 20 0 FBADRM O=C([O-])CNC(=O)Cc1ccc(NS(=O)(=O)N2CCOCC2)cc1 ZINC000833252004 602197672 /nfs/dbraw/zinc/19/76/72/602197672.db2.gz BRLAHQHNBPHRPO-UHFFFAOYSA-N -1 0 357.388 -0.581 20 0 FBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)N2CCN(CCO)CC2)cc1 ZINC000833252045 601822060 /nfs/dbraw/zinc/82/20/60/601822060.db2.gz DZKNAEOQGVUDMW-UHFFFAOYSA-N -1 0 364.402 -0.428 20 0 FBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)N2CCO[C@@H](CO)C2)cc1 ZINC000833252058 601478422 /nfs/dbraw/zinc/47/84/22/601478422.db2.gz FOBASBGCLVMHST-CYBMUJFWSA-N -1 0 351.359 -0.345 20 0 FBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)N2CCO[C@H](CO)C2)cc1 ZINC000833252059 601478364 /nfs/dbraw/zinc/47/83/64/601478364.db2.gz FOBASBGCLVMHST-ZDUSSCGKSA-N -1 0 351.359 -0.345 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CO)C2)cc1 ZINC000833252100 601339823 /nfs/dbraw/zinc/33/98/23/601339823.db2.gz LLYINKJLPHSICJ-LLVKDONJSA-N -1 0 363.370 -0.330 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CO)C2)cc1 ZINC000833252101 601339607 /nfs/dbraw/zinc/33/96/07/601339607.db2.gz LLYINKJLPHSICJ-NSHDSACASA-N -1 0 363.370 -0.330 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)NCCn2cccn2)cc1 ZINC000833252293 600880101 /nfs/dbraw/zinc/88/01/01/600880101.db2.gz PWCAUMKQCQIWDK-UHFFFAOYSA-N -1 0 359.342 -0.548 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)CCCN2C(=O)CNC2=O)cc1 ZINC000833252531 604411993 /nfs/dbraw/zinc/41/19/93/604411993.db2.gz WSOJBWXOBSBHEO-UHFFFAOYSA-N -1 0 362.342 -0.229 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000833252584 601364886 /nfs/dbraw/zinc/36/48/86/601364886.db2.gz ZBTKSMKDHWPNPG-GFCCVEGCSA-N -1 0 361.358 -0.258 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000833252588 601364910 /nfs/dbraw/zinc/36/49/10/601364910.db2.gz ZBTKSMKDHWPNPG-LBPRGKRZSA-N -1 0 361.358 -0.258 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](CCO)C2)cc1 ZINC000833252716 601868461 /nfs/dbraw/zinc/86/84/61/601868461.db2.gz YAAZZYSISQNHFQ-LLVKDONJSA-N -1 0 363.370 -0.330 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](CCO)C2)cc1 ZINC000833252717 601868597 /nfs/dbraw/zinc/86/85/97/601868597.db2.gz YAAZZYSISQNHFQ-NSHDSACASA-N -1 0 363.370 -0.330 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000833252730 600860822 /nfs/dbraw/zinc/86/08/22/600860822.db2.gz YSJKSZNQFCQLOL-BETUJISGSA-N -1 0 361.354 -0.171 20 0 FBADRM O=C([O-])CNS(=O)(=O)c1cccc(NC(=O)CCc2nnc[nH]2)c1 ZINC000833253107 601136448 /nfs/dbraw/zinc/13/64/48/601136448.db2.gz JCHJJRZIRYXDTA-UHFFFAOYSA-N -1 0 353.360 -0.261 20 0 FBADRM O=C([O-])CNS(=O)(=O)c1cccc(NC(=O)[C@H]2CSC(=O)N2)c1 ZINC000833253378 600892313 /nfs/dbraw/zinc/89/23/13/600892313.db2.gz VAMRHODZLBHFGU-SECBINFHSA-N -1 0 359.385 -0.187 20 0 FBADRM O=C([O-])CNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CSC(=O)N2)c1 ZINC000833253379 600892430 /nfs/dbraw/zinc/89/24/30/600892430.db2.gz VAMRHODZLBHFGU-VIFPVBQESA-N -1 0 359.385 -0.187 20 0 FBADRM O=C([O-])CNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCNC(=O)C2)c1 ZINC000833253399 602121469 /nfs/dbraw/zinc/12/14/69/602121469.db2.gz WCWPFWDIKKDRDS-SECBINFHSA-N -1 0 355.372 -0.486 20 0 FBADRM O=C([O-])CNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCNC(=O)C2)c1 ZINC000833253400 602121202 /nfs/dbraw/zinc/12/12/02/602121202.db2.gz WCWPFWDIKKDRDS-VIFPVBQESA-N -1 0 355.372 -0.486 20 0 FBADRM O=C([O-])CNS(=O)(=O)c1cccc(NC(=O)[C@@H](O)C2CCOCC2)c1 ZINC000833253430 600892381 /nfs/dbraw/zinc/89/23/81/600892381.db2.gz XMNKWGOOXCTKSF-AWEZNQCLSA-N -1 0 372.399 -0.225 20 0 FBADRM O=C([O-])CNS(=O)(=O)c1cccc(NC(=O)[C@H](O)C2CCOCC2)c1 ZINC000833253431 600892253 /nfs/dbraw/zinc/89/22/53/600892253.db2.gz XMNKWGOOXCTKSF-CQSZACIVSA-N -1 0 372.399 -0.225 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)cc1 ZINC000833253857 601198349 /nfs/dbraw/zinc/19/83/49/601198349.db2.gz ALEDUZOHNVVGLV-UHFFFAOYSA-N -1 0 361.354 -0.078 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)NC[C@H]2CCCS2(=O)=O)cc1 ZINC000833253925 661159191 /nfs/dbraw/zinc/15/91/91/661159191.db2.gz CLYDHXMAGQSVLF-GFCCVEGCSA-N -1 0 370.383 -0.218 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)NC[C@@H]2CCCS2(=O)=O)cc1 ZINC000833253926 661159228 /nfs/dbraw/zinc/15/92/28/661159228.db2.gz CLYDHXMAGQSVLF-LBPRGKRZSA-N -1 0 370.383 -0.218 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)cc1Cl ZINC000833253947 604830453 /nfs/dbraw/zinc/83/04/53/604830453.db2.gz CZJUJIHEBSHPGO-AOOOYVTPSA-N -1 0 372.761 -0.304 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000833254024 601364290 /nfs/dbraw/zinc/36/42/90/601364290.db2.gz FTZDHHANVPVQSE-LLVKDONJSA-N -1 0 361.354 -0.032 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000833254025 601364447 /nfs/dbraw/zinc/36/44/47/601364447.db2.gz FTZDHHANVPVQSE-NSHDSACASA-N -1 0 361.354 -0.032 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000833254026 601358417 /nfs/dbraw/zinc/35/84/17/601358417.db2.gz FUCOIKBNYGQEAE-LLVKDONJSA-N -1 0 359.342 -0.189 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000833254027 601358302 /nfs/dbraw/zinc/35/83/02/601358302.db2.gz FUCOIKBNYGQEAE-NSHDSACASA-N -1 0 359.342 -0.189 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N2CCNC(=O)C2)cc1Cl ZINC000833254150 604820463 /nfs/dbraw/zinc/82/04/63/604820463.db2.gz GRZVVXOZGABQJI-UHFFFAOYSA-N -1 0 355.734 -0.300 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000833254241 601363119 /nfs/dbraw/zinc/36/31/19/601363119.db2.gz JHXZHCZHFMHTOS-LLVKDONJSA-N -1 0 370.383 -0.218 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000833254242 601363259 /nfs/dbraw/zinc/36/32/59/601363259.db2.gz JHXZHCZHFMHTOS-NSHDSACASA-N -1 0 370.383 -0.218 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)NC(CO)CO)c2ccccc12 ZINC000833254365 602288045 /nfs/dbraw/zinc/28/80/45/602288045.db2.gz KUOIOPDVHWFZQM-UHFFFAOYSA-N -1 0 362.338 -0.289 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000833254377 602141575 /nfs/dbraw/zinc/14/15/75/602141575.db2.gz LFAYSTFLKJKGEC-LLVKDONJSA-N -1 0 363.326 -0.249 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000833254379 602141787 /nfs/dbraw/zinc/14/17/87/602141787.db2.gz LFAYSTFLKJKGEC-NSHDSACASA-N -1 0 363.326 -0.249 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N2CCCS(=O)(=O)CC2)cc1 ZINC000833254590 601867732 /nfs/dbraw/zinc/86/77/32/601867732.db2.gz PPWFLGXHWDBUMN-UHFFFAOYSA-N -1 0 370.383 -0.264 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N2CCO[C@H](CO)C2)cc1Cl ZINC000833254807 604832345 /nfs/dbraw/zinc/83/23/45/604832345.db2.gz UVMDDCXZMAUVDT-JTQLQIEISA-N -1 0 372.761 -0.038 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N2CCO[C@@H](CO)C2)cc1Cl ZINC000833254808 604831932 /nfs/dbraw/zinc/83/19/32/604831932.db2.gz UVMDDCXZMAUVDT-SNVBAGLBSA-N -1 0 372.761 -0.038 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000833254843 601497712 /nfs/dbraw/zinc/49/77/12/601497712.db2.gz VUDYMSUZFVROOQ-LLVKDONJSA-N -1 0 362.342 -0.676 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000833254844 601497679 /nfs/dbraw/zinc/49/76/79/601497679.db2.gz VUDYMSUZFVROOQ-NSHDSACASA-N -1 0 362.342 -0.676 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1Cl ZINC000833256780 604827547 /nfs/dbraw/zinc/82/75/47/604827547.db2.gz QDNCXILMCQBJNU-UHFFFAOYSA-N -1 0 354.710 -0.429 20 0 FBADRM O=C([O-])COc1ccc(NC(=O)C(=O)NCc2nnnn2C2CC2)cc1 ZINC000833257398 600931703 /nfs/dbraw/zinc/93/17/03/600931703.db2.gz YPPMZPIUWGDZAW-UHFFFAOYSA-N -1 0 360.330 -0.274 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000833258905 602009685 /nfs/dbraw/zinc/00/96/85/602009685.db2.gz AHWHFGHSWNLPTF-JTQLQIEISA-N -1 0 356.356 -0.025 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000833258906 602009428 /nfs/dbraw/zinc/00/94/28/602009428.db2.gz AHWHFGHSWNLPTF-SNVBAGLBSA-N -1 0 356.356 -0.025 20 0 FBADRM O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2COCCO2)cc1 ZINC000833260393 601990536 /nfs/dbraw/zinc/99/05/36/601990536.db2.gz DDRBFEBEWNMYIA-CYBMUJFWSA-N -1 0 357.384 -0.282 20 0 FBADRM O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2COCCO2)cc1 ZINC000833260394 601990700 /nfs/dbraw/zinc/99/07/00/601990700.db2.gz DDRBFEBEWNMYIA-ZDUSSCGKSA-N -1 0 357.384 -0.282 20 0 FBADRM O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC2CC2)cc1 ZINC000833260409 601859026 /nfs/dbraw/zinc/85/90/26/601859026.db2.gz DNZQSVQMJKIJQH-UHFFFAOYSA-N -1 0 354.384 -0.419 20 0 FBADRM O=C([O-])COc1cccc(NC(=O)C(=O)NC[C@H]2CCCS2(=O)=O)c1 ZINC000833260552 661159239 /nfs/dbraw/zinc/15/92/39/661159239.db2.gz BLQCTVYQQFJQPN-GFCCVEGCSA-N -1 0 370.383 -0.218 20 0 FBADRM O=C([O-])COc1cccc(NC(=O)C(=O)NC[C@@H]2CCCS2(=O)=O)c1 ZINC000833260553 661159288 /nfs/dbraw/zinc/15/92/88/661159288.db2.gz BLQCTVYQQFJQPN-LBPRGKRZSA-N -1 0 370.383 -0.218 20 0 FBADRM O=C([O-])COc1cccc(NC(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000833260926 601363277 /nfs/dbraw/zinc/36/32/77/601363277.db2.gz IBDQOIOZOMPWJY-LLVKDONJSA-N -1 0 370.383 -0.218 20 0 FBADRM O=C([O-])COc1cccc(NC(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)c1 ZINC000833260927 601363141 /nfs/dbraw/zinc/36/31/41/601363141.db2.gz IBDQOIOZOMPWJY-NSHDSACASA-N -1 0 370.383 -0.218 20 0 FBADRM O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000833261166 601973039 /nfs/dbraw/zinc/97/30/39/601973039.db2.gz LGURDOKANNAQBG-GFCCVEGCSA-N -1 0 354.384 -0.562 20 0 FBADRM O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2CNC(=O)C2)cc1 ZINC000833261174 601973052 /nfs/dbraw/zinc/97/30/52/601973052.db2.gz LGURDOKANNAQBG-LBPRGKRZSA-N -1 0 354.384 -0.562 20 0 FBADRM O=C([O-])COc1cccc(NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)c1 ZINC000833261254 601198371 /nfs/dbraw/zinc/19/83/71/601198371.db2.gz KYHDYFZCNXFXSO-UHFFFAOYSA-N -1 0 361.354 -0.078 20 0 FBADRM O=C([O-])COc1cccc(NC(=O)C(=O)N2CCCS(=O)(=O)CC2)c1 ZINC000833261267 601867590 /nfs/dbraw/zinc/86/75/90/601867590.db2.gz LMLXMKUASPSXMJ-UHFFFAOYSA-N -1 0 370.383 -0.264 20 0 FBADRM O=C([O-])CSCc1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)c1 ZINC000833261375 601483441 /nfs/dbraw/zinc/48/34/41/601483441.db2.gz INYRTVHBWZYNCR-BETUJISGSA-N -1 0 368.411 -0.103 20 0 FBADRM O=C([O-])CSCCNC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000833261383 604819989 /nfs/dbraw/zinc/81/99/89/604819989.db2.gz IRSPSKLEPOMQGW-UHFFFAOYSA-N -1 0 362.433 -0.523 20 0 FBADRM O=C([O-])COc1cccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000833261891 601364412 /nfs/dbraw/zinc/36/44/12/601364412.db2.gz RQCUGDYVYSXLSP-LLVKDONJSA-N -1 0 361.354 -0.032 20 0 FBADRM O=C([O-])COc1cccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000833261894 601364431 /nfs/dbraw/zinc/36/44/31/601364431.db2.gz RQCUGDYVYSXLSP-NSHDSACASA-N -1 0 361.354 -0.032 20 0 FBADRM O=C([O-])COc1cccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000833262105 601497746 /nfs/dbraw/zinc/49/77/46/601497746.db2.gz VCNACKCZBKBJFM-LLVKDONJSA-N -1 0 362.342 -0.676 20 0 FBADRM O=C([O-])COc1cccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)c1 ZINC000833262109 601497687 /nfs/dbraw/zinc/49/76/87/601497687.db2.gz VCNACKCZBKBJFM-NSHDSACASA-N -1 0 362.342 -0.676 20 0 FBADRM O=C([O-])COc1cccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000833262239 601358285 /nfs/dbraw/zinc/35/82/85/601358285.db2.gz XEEIUDISTLZXNS-LLVKDONJSA-N -1 0 359.342 -0.189 20 0 FBADRM O=C([O-])COc1cccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000833262243 601358237 /nfs/dbraw/zinc/35/82/37/601358237.db2.gz XEEIUDISTLZXNS-NSHDSACASA-N -1 0 359.342 -0.189 20 0 FBADRM O=C([O-])COc1cccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)c1 ZINC000833262247 602141793 /nfs/dbraw/zinc/14/17/93/602141793.db2.gz XEHYYEBPMSVCGV-LLVKDONJSA-N -1 0 363.326 -0.249 20 0 FBADRM O=C([O-])COc1cccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)c1 ZINC000833262250 602141788 /nfs/dbraw/zinc/14/17/88/602141788.db2.gz XEHYYEBPMSVCGV-NSHDSACASA-N -1 0 363.326 -0.249 20 0 FBADRM O=C([O-])COc1cccc(NC(=O)C(=O)NCc2nnnn2C2CC2)c1 ZINC000833262355 600931765 /nfs/dbraw/zinc/93/17/65/600931765.db2.gz YKVOAWJAZSKGCZ-UHFFFAOYSA-N -1 0 360.330 -0.274 20 0 FBADRM O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)N2CCNC(=O)C2)cc1 ZINC000833263050 602091022 /nfs/dbraw/zinc/09/10/22/602091022.db2.gz FFHSKJBSEPDYGE-UHFFFAOYSA-N -1 0 369.399 -0.673 20 0 FBADRM O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)CNC(=O)C2CC2)cc1 ZINC000833263070 601974163 /nfs/dbraw/zinc/97/41/63/601974163.db2.gz GAITYWGDXSLYBW-UHFFFAOYSA-N -1 0 368.411 -0.172 20 0 FBADRM O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)CCn2ccnn2)cc1 ZINC000833263259 601990612 /nfs/dbraw/zinc/99/06/12/601990612.db2.gz JAPKKDOASWMVCB-UHFFFAOYSA-N -1 0 366.399 -0.016 20 0 FBADRM O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)CN2CCCC2=O)cc1 ZINC000833263805 601993241 /nfs/dbraw/zinc/99/32/41/601993241.db2.gz VFNFQGDXMHZLIX-UHFFFAOYSA-N -1 0 368.411 -0.075 20 0 FBADRM O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N3CCO[C@H](CO)C3)cc2)[nH]1 ZINC000833264627 604369595 /nfs/dbraw/zinc/36/95/95/604369595.db2.gz FAFKUSBDMYJDGV-AWEZNQCLSA-N -1 0 361.354 -0.374 20 0 FBADRM O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N3CCO[C@@H](CO)C3)cc2)[nH]1 ZINC000833264628 604369962 /nfs/dbraw/zinc/36/99/62/604369962.db2.gz FAFKUSBDMYJDGV-CQSZACIVSA-N -1 0 361.354 -0.374 20 0 FBADRM O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N3C[C@H](O)C[C@H](O)C3)cc2)[nH]1 ZINC000833264638 601687849 /nfs/dbraw/zinc/68/78/49/601687849.db2.gz FQXJVYPQOJZYPV-OKILXGFUSA-N -1 0 361.354 -0.640 20 0 FBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCS2(=O)=O)cc1 ZINC000833265927 661159249 /nfs/dbraw/zinc/15/92/49/661159249.db2.gz GFWXPAROPXOALB-GFCCVEGCSA-N -1 0 354.384 -0.054 20 0 FBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCS2(=O)=O)cc1 ZINC000833265928 661159273 /nfs/dbraw/zinc/15/92/73/661159273.db2.gz GFWXPAROPXOALB-LBPRGKRZSA-N -1 0 354.384 -0.054 20 0 FBADRM O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NCCn3ncnn3)cc2)[nH]1 ZINC000833265944 604937479 /nfs/dbraw/zinc/93/74/79/604937479.db2.gz GVSQLAAHPIFCBH-UHFFFAOYSA-N -1 0 357.330 -0.791 20 0 FBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000833266346 601363186 /nfs/dbraw/zinc/36/31/86/601363186.db2.gz MDPOXZTUJMYASK-GFCCVEGCSA-N -1 0 354.384 -0.054 20 0 FBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000833266348 601363177 /nfs/dbraw/zinc/36/31/77/601363177.db2.gz MDPOXZTUJMYASK-LBPRGKRZSA-N -1 0 354.384 -0.054 20 0 FBADRM O=C([O-])Cc1csc(NC(=O)Nc2cnn(CC(=O)NCCO)c2)n1 ZINC000833268797 600812639 /nfs/dbraw/zinc/81/26/39/600812639.db2.gz GFUUTNRGEYLRDS-UHFFFAOYSA-N -1 0 368.375 -0.281 20 0 FBADRM O=C([O-])Cc1nc(NC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)n[nH]1 ZINC000833269605 600957235 /nfs/dbraw/zinc/95/72/35/600957235.db2.gz FKOKNIZRSFVVCW-JTQLQIEISA-N -1 0 357.326 -0.111 20 0 FBADRM O=C([O-])Cc1nc(NC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)n[nH]1 ZINC000833269607 600957292 /nfs/dbraw/zinc/95/72/92/600957292.db2.gz FKOKNIZRSFVVCW-SNVBAGLBSA-N -1 0 357.326 -0.111 20 0 FBADRM O=C([O-])Cn1cc(CCN2C(=O)c3ccccc3CS2(=O)=O)nn1 ZINC000833269756 604789802 /nfs/dbraw/zinc/78/98/02/604789802.db2.gz HLAMPMNWRPPWNW-UHFFFAOYSA-N -1 0 350.356 -0.109 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)c2cn(Cc3ccccn3)nn2)nn1 ZINC000833269805 604704589 /nfs/dbraw/zinc/70/45/89/604704589.db2.gz LLBAGTQNFDRUHU-UHFFFAOYSA-N -1 0 357.330 -0.203 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)c2cccnc2N2CCOCC2)nn1 ZINC000833269871 604835923 /nfs/dbraw/zinc/83/59/23/604835923.db2.gz PMRSSJIDYMMQPX-UHFFFAOYSA-N -1 0 361.358 -0.006 20 0 FBADRM O=C([O-])Cn1cc(CCN2CCN(CC(=O)N3CCCCC3)CC2)nn1 ZINC000833270012 604796994 /nfs/dbraw/zinc/79/69/94/604796994.db2.gz ITFSIECDEUSNIS-UHFFFAOYSA-N -1 0 364.450 -0.465 20 0 FBADRM O=C([O-])Cc1nc(NC(=O)c2cnn(CC(=O)NC3CCCC3)c2)n[nH]1 ZINC000833270147 604711220 /nfs/dbraw/zinc/71/12/20/604711220.db2.gz LXCRCJSZXOLUGO-UHFFFAOYSA-N -1 0 361.362 -0.061 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)c2ccc(N3CCOCC3)nc2)nn1 ZINC000833270240 604700242 /nfs/dbraw/zinc/70/02/42/604700242.db2.gz TWZSNLNCUKCENB-UHFFFAOYSA-N -1 0 361.358 -0.006 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)nn1 ZINC000833270568 604707001 /nfs/dbraw/zinc/70/70/01/604707001.db2.gz PWHADVSWOIYKIS-MRVPVSSYSA-N -1 0 364.280 -0.141 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)nn1 ZINC000833270569 604707147 /nfs/dbraw/zinc/70/71/47/604707147.db2.gz PWHADVSWOIYKIS-QMMMGPOBSA-N -1 0 364.280 -0.141 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)Cn2c(=O)cnc3ccccc32)nn1 ZINC000833270967 604700549 /nfs/dbraw/zinc/70/05/49/604700549.db2.gz ACNABWPWTUJPBE-UHFFFAOYSA-N -1 0 357.326 -0.142 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)Cc2ccc(-n3cnnn3)cc2)nn1 ZINC000833271238 604698149 /nfs/dbraw/zinc/69/81/49/604698149.db2.gz CELIKDWQPIGQTQ-UHFFFAOYSA-N -1 0 357.330 -0.333 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)CN2C(=O)c3ccccc3C2=O)nn1 ZINC000833271262 604834266 /nfs/dbraw/zinc/83/42/66/604834266.db2.gz CSTRJWLGLMSZJC-UHFFFAOYSA-N -1 0 358.310 -0.255 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)CN2C(=O)NC3(CCCC3)C2=O)nn1 ZINC000833271526 604704867 /nfs/dbraw/zinc/70/48/67/604704867.db2.gz GHUNBDAPYHTVII-UHFFFAOYSA-N -1 0 365.346 -0.687 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)CCn2nnc3ccccc3c2=O)nn1 ZINC000833271552 604707004 /nfs/dbraw/zinc/70/70/04/604707004.db2.gz HMKNHWHGFAVQNC-UHFFFAOYSA-N -1 0 372.341 -0.356 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)nn1 ZINC000833271810 604695492 /nfs/dbraw/zinc/69/54/92/604695492.db2.gz KAAJLCCIMYVTHG-RYUDHWBXSA-N -1 0 364.358 -0.376 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)nn1 ZINC000833271811 604695496 /nfs/dbraw/zinc/69/54/96/604695496.db2.gz KAAJLCCIMYVTHG-TXEJJXNPSA-N -1 0 364.358 -0.376 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)nn1 ZINC000833271812 604695290 /nfs/dbraw/zinc/69/52/90/604695290.db2.gz KAAJLCCIMYVTHG-VXGBXAGGSA-N -1 0 364.358 -0.376 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)Cc2csc(-c3nc[nH]n3)n2)nn1 ZINC000833272060 604701689 /nfs/dbraw/zinc/70/16/89/604701689.db2.gz LULAZDFPJFTOJQ-UHFFFAOYSA-N -1 0 363.359 -0.067 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)Cn2nnc3ccccc3c2=O)nn1 ZINC000833272199 604707522 /nfs/dbraw/zinc/70/75/22/604707522.db2.gz NXFLPAUXHIQVLG-UHFFFAOYSA-N -1 0 358.314 -0.747 20 0 FBADRM O=C([O-])Cn1cc(CCS(=O)(=O)c2nnc(N3CCCC3)s2)nn1 ZINC000833272308 604776959 /nfs/dbraw/zinc/77/69/59/604776959.db2.gz WXTLHBAMXKZEAH-UHFFFAOYSA-N -1 0 372.432 -0.169 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)Cn2nc(-c3ccccc3)oc2=O)nn1 ZINC000833272412 604834220 /nfs/dbraw/zinc/83/42/20/604834220.db2.gz PPIPMIBVPLWNRD-UHFFFAOYSA-N -1 0 373.325 -0.035 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)Cn2cnc3sccc3c2=O)nn1 ZINC000833272428 604707231 /nfs/dbraw/zinc/70/72/31/604707231.db2.gz PUEZZSOBMLPASA-UHFFFAOYSA-N -1 0 363.355 -0.080 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)nn1 ZINC000833272690 604836333 /nfs/dbraw/zinc/83/63/33/604836333.db2.gz STTRCBUCGWLVGA-UHFFFAOYSA-N -1 0 373.325 -0.436 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)CNS(=O)(=O)c2cccs2)nn1 ZINC000833272721 604836307 /nfs/dbraw/zinc/83/63/07/604836307.db2.gz UPFTUTORAKVSIW-UHFFFAOYSA-N -1 0 374.400 -0.512 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)nn1 ZINC000833272723 604701873 /nfs/dbraw/zinc/70/18/73/604701873.db2.gz UQDXKHPBAISJFY-BDAKNGLRSA-N -1 0 364.280 -0.095 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)nn1 ZINC000833272724 604701974 /nfs/dbraw/zinc/70/19/74/604701974.db2.gz UQDXKHPBAISJFY-DTWKUNHWSA-N -1 0 364.280 -0.095 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)nn1 ZINC000833272725 604701668 /nfs/dbraw/zinc/70/16/68/604701668.db2.gz UQDXKHPBAISJFY-IUCAKERBSA-N -1 0 364.280 -0.095 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)nn1 ZINC000833272726 604702020 /nfs/dbraw/zinc/70/20/20/604702020.db2.gz UQDXKHPBAISJFY-RKDXNWHRSA-N -1 0 364.280 -0.095 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)CN2CC(=O)Nc3ccccc32)nn1 ZINC000833272870 604705360 /nfs/dbraw/zinc/70/53/60/604705360.db2.gz WPWGAFIOJZIBMA-UHFFFAOYSA-N -1 0 359.342 -0.093 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)CN2CCN(c3ccccn3)CC2)nn1 ZINC000833272876 604839709 /nfs/dbraw/zinc/83/97/09/604839709.db2.gz WUDJOQVXHWNVOS-UHFFFAOYSA-N -1 0 374.401 -0.334 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)nn1 ZINC000833272955 604695436 /nfs/dbraw/zinc/69/54/36/604695436.db2.gz YYJFMYFJVWPHBX-UHFFFAOYSA-N -1 0 373.325 -0.436 20 0 FBADRM O=C([O-])Cn1cc(CCOC(=O)CN2C(=O)COc3ccccc32)nn1 ZINC000833272966 604697715 /nfs/dbraw/zinc/69/77/15/604697715.db2.gz ZDKPHZBYYGFJAH-UHFFFAOYSA-N -1 0 360.326 -0.126 20 0 FBADRM O=C([O-])Cn1cc(CCn2cnc3c(nnn3-c3ccccc3)c2=O)nn1 ZINC000833273451 604789774 /nfs/dbraw/zinc/78/97/74/604789774.db2.gz POKKAPZFPZLRPG-UHFFFAOYSA-N -1 0 366.341 -0.104 20 0 FBADRM O=C([O-])Cn1cc(CCn2nnc3c(cnn3-c3ccccc3)c2=O)nn1 ZINC000833273581 604791570 /nfs/dbraw/zinc/79/15/70/604791570.db2.gz XMORWVUWYHOVPH-UHFFFAOYSA-N -1 0 366.341 -0.104 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)n1 ZINC000833273701 601400231 /nfs/dbraw/zinc/40/02/31/601400231.db2.gz DHOZQWDGQYACJE-GFCCVEGCSA-N -1 0 351.344 -0.364 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)n1 ZINC000833273702 601400494 /nfs/dbraw/zinc/40/04/94/601400494.db2.gz DHOZQWDGQYACJE-LBPRGKRZSA-N -1 0 351.344 -0.364 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCNC(=O)c2cccs2)cn1 ZINC000833273737 661159311 /nfs/dbraw/zinc/15/93/11/661159311.db2.gz ADKQPXUKGWYTRS-UHFFFAOYSA-N -1 0 358.401 -0.263 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)cn1 ZINC000833273758 602000821 /nfs/dbraw/zinc/00/08/21/602000821.db2.gz BEERMYDVXPOTPE-KBPBESRZSA-N -1 0 372.447 -0.111 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)cn1 ZINC000833273759 602000870 /nfs/dbraw/zinc/00/08/70/602000870.db2.gz BEERMYDVXPOTPE-KGLIPLIRSA-N -1 0 372.447 -0.111 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)cn1 ZINC000833273760 602000682 /nfs/dbraw/zinc/00/06/82/602000682.db2.gz BEERMYDVXPOTPE-UONOGXRCSA-N -1 0 372.447 -0.111 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)cn1 ZINC000833273761 602000630 /nfs/dbraw/zinc/00/06/30/602000630.db2.gz BEERMYDVXPOTPE-ZIAGYGMSSA-N -1 0 372.447 -0.111 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCNC(=O)c2ccc(F)cc2)cn1 ZINC000833273795 600723684 /nfs/dbraw/zinc/72/36/84/600723684.db2.gz DFRPLSNRDRFJPF-UHFFFAOYSA-N -1 0 370.362 -0.185 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCN2C(=O)Cc3ccccc32)cn1 ZINC000833273799 600733282 /nfs/dbraw/zinc/73/32/82/600733282.db2.gz DTAYXWGQZGHKSU-UHFFFAOYSA-N -1 0 364.383 -0.165 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCC(=O)NCc2cccnc2)cn1 ZINC000833273935 600727131 /nfs/dbraw/zinc/72/71/31/600727131.db2.gz GMWCLSZEODLFRQ-UHFFFAOYSA-N -1 0 367.387 -0.653 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCS(=O)(=O)CC2CC2)cn1 ZINC000833273941 602225127 /nfs/dbraw/zinc/22/51/27/602225127.db2.gz GYLSGKMGUNBUIZ-UHFFFAOYSA-N -1 0 351.406 -0.929 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCNC(=O)c2ccccc2)cn1 ZINC000833273962 600701712 /nfs/dbraw/zinc/70/17/12/600701712.db2.gz IKWJHUZZGYOWLG-UHFFFAOYSA-N -1 0 352.372 -0.324 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCC(=O)NCc2ccccc2)cn1 ZINC000833273974 600731181 /nfs/dbraw/zinc/73/11/81/600731181.db2.gz JFRNFEQYULJELD-UHFFFAOYSA-N -1 0 366.399 -0.048 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCNC(=O)c2ccccc2F)cn1 ZINC000833274022 600720226 /nfs/dbraw/zinc/72/02/26/600720226.db2.gz LHFRMKJMFBTQLJ-UHFFFAOYSA-N -1 0 370.362 -0.185 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCC(=O)Nc2cccnc2)cn1 ZINC000833274064 600735340 /nfs/dbraw/zinc/73/53/40/600735340.db2.gz MKZGQNLVQXLGHA-UHFFFAOYSA-N -1 0 353.360 -0.330 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)NCC(=O)NCCc2ccccc2)cn1 ZINC000833274150 600729414 /nfs/dbraw/zinc/72/94/14/600729414.db2.gz NQBVWACEVRDXSJ-UHFFFAOYSA-N -1 0 366.399 -0.395 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)NCC(=O)N2CCc3ccccc32)cn1 ZINC000833274223 600734185 /nfs/dbraw/zinc/73/41/85/600734185.db2.gz QTXXZZPDEXVFDX-UHFFFAOYSA-N -1 0 364.383 -0.165 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CSC[C@@H]2C(=O)N2CCCC2)cn1 ZINC000833274234 600731179 /nfs/dbraw/zinc/73/11/79/600731179.db2.gz QWIBTONZMWTCFY-LLVKDONJSA-N -1 0 374.444 -0.346 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CSC[C@H]2C(=O)N2CCCC2)cn1 ZINC000833274237 600731100 /nfs/dbraw/zinc/73/11/00/600731100.db2.gz QWIBTONZMWTCFY-NSHDSACASA-N -1 0 374.444 -0.346 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCCC[C@@H]2CN2CCOCC2)cn1 ZINC000833274340 600793696 /nfs/dbraw/zinc/79/36/96/600793696.db2.gz ABVFQIYLZSIRHT-CYBMUJFWSA-N -1 0 372.447 -0.157 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCCC[C@H]2CN2CCOCC2)cn1 ZINC000833274341 600793748 /nfs/dbraw/zinc/79/37/48/600793748.db2.gz ABVFQIYLZSIRHT-ZDUSSCGKSA-N -1 0 372.447 -0.157 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCN(C[C@H]3CCOC3)CC2)cn1 ZINC000833274380 601580743 /nfs/dbraw/zinc/58/07/43/601580743.db2.gz DFLGCBOZUYALPF-GFCCVEGCSA-N -1 0 358.420 -0.690 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCN(C[C@@H]3CCOC3)CC2)cn1 ZINC000833274381 601580910 /nfs/dbraw/zinc/58/09/10/601580910.db2.gz DFLGCBOZUYALPF-LBPRGKRZSA-N -1 0 358.420 -0.690 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccccc2)cn1 ZINC000833274409 661159259 /nfs/dbraw/zinc/15/92/59/661159259.db2.gz FUNSWFFNKRRAGR-AWEZNQCLSA-N -1 0 364.383 -0.171 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccccc2)cn1 ZINC000833274410 661159271 /nfs/dbraw/zinc/15/92/71/661159271.db2.gz FUNSWFFNKRRAGR-CQSZACIVSA-N -1 0 364.383 -0.171 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCN(Cc3cscn3)CC2)cn1 ZINC000833274424 600722546 /nfs/dbraw/zinc/72/25/46/600722546.db2.gz GMDMQZBMZBXWAD-UHFFFAOYSA-N -1 0 371.444 -0.069 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCO[C@H](Cn3cccn3)C2)cn1 ZINC000833274430 600745870 /nfs/dbraw/zinc/74/58/70/600745870.db2.gz GTNTZPZUYPJVMA-LLVKDONJSA-N -1 0 355.376 -0.746 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCO[C@@H](Cn3cccn3)C2)cn1 ZINC000833274431 600745964 /nfs/dbraw/zinc/74/59/64/600745964.db2.gz GTNTZPZUYPJVMA-NSHDSACASA-N -1 0 355.376 -0.746 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCS(=O)(=O)c2ccccc2)cn1 ZINC000833274445 600724948 /nfs/dbraw/zinc/72/49/48/600724948.db2.gz VGYVGGSPHBHKHP-UHFFFAOYSA-N -1 0 373.412 -0.280 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)cn1 ZINC000833274478 600746221 /nfs/dbraw/zinc/74/62/21/600746221.db2.gz XHFZINCTPIFIBH-MRVPVSSYSA-N -1 0 370.309 -0.591 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)cn1 ZINC000833274479 600746189 /nfs/dbraw/zinc/74/61/89/600746189.db2.gz XHFZINCTPIFIBH-QMMMGPOBSA-N -1 0 370.309 -0.591 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cn1 ZINC000833274484 600730042 /nfs/dbraw/zinc/73/00/42/600730042.db2.gz XOMOZTPECVORPQ-MRVPVSSYSA-N -1 0 356.326 -0.117 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@H]2CCN(CC(F)(F)F)C2)cn1 ZINC000833274486 600730225 /nfs/dbraw/zinc/73/02/25/600730225.db2.gz XOMOZTPECVORPQ-QMMMGPOBSA-N -1 0 356.326 -0.117 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCNC(=O)c2cccnc2)cn1 ZINC000833274492 600710456 /nfs/dbraw/zinc/71/04/56/600710456.db2.gz YBBDFZCJPQLPIQ-UHFFFAOYSA-N -1 0 353.360 -0.929 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CSC[C@@H]2C(=O)NCC2CC2)cn1 ZINC000833274494 600731158 /nfs/dbraw/zinc/73/11/58/600731158.db2.gz YKHGDGMMCWTAEY-LLVKDONJSA-N -1 0 374.444 -0.443 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CSC[C@H]2C(=O)NCC2CC2)cn1 ZINC000833274495 600731161 /nfs/dbraw/zinc/73/11/61/600731161.db2.gz YKHGDGMMCWTAEY-NSHDSACASA-N -1 0 374.444 -0.443 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)NCc2nc(-c3ccncc3)no2)cn1 ZINC000833274535 600700158 /nfs/dbraw/zinc/70/01/58/600700158.db2.gz CARUSDQDSMUPKP-UHFFFAOYSA-N -1 0 364.343 -0.109 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)NCc2nnc3n2CCCCC3)cn1 ZINC000833274570 661159217 /nfs/dbraw/zinc/15/92/17/661159217.db2.gz DNXKJNIVOBXJHO-UHFFFAOYSA-N -1 0 354.392 -0.236 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2C[C@@H](CO)Oc3ccccc32)cn1 ZINC000833274662 601854930 /nfs/dbraw/zinc/85/49/30/601854930.db2.gz LEHCPZVEJRNDBB-JTQLQIEISA-N -1 0 353.356 -0.084 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2C[C@H](CO)Oc3ccccc32)cn1 ZINC000833274663 601854773 /nfs/dbraw/zinc/85/47/73/601854773.db2.gz LEHCPZVEJRNDBB-SNVBAGLBSA-N -1 0 353.356 -0.084 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCN(CC3CCOCC3)CC2)cn1 ZINC000833274682 661159282 /nfs/dbraw/zinc/15/92/82/661159282.db2.gz LUFKRJVVTIWRNV-UHFFFAOYSA-N -1 0 372.447 -0.299 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCN(C(=O)N3CCCC3)CC2)cn1 ZINC000833274688 600700375 /nfs/dbraw/zinc/70/03/75/600700375.db2.gz LXJYAECSQHIEIM-UHFFFAOYSA-N -1 0 371.419 -0.510 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)NCc2nnnn2-c2ccccc2)cn1 ZINC000833274840 661159266 /nfs/dbraw/zinc/15/92/66/661159266.db2.gz JKJGZTFXCBJDQD-UHFFFAOYSA-N -1 0 363.359 -0.578 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCn2c(=O)oc3ccccc32)cn1 ZINC000833274858 600741377 /nfs/dbraw/zinc/74/13/77/600741377.db2.gz KPDOSQSPXCSDFZ-UHFFFAOYSA-N -1 0 366.355 -0.146 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)cn1 ZINC000833274946 600704253 /nfs/dbraw/zinc/70/42/53/600704253.db2.gz ODVIGZZMIRKJEO-JTQLQIEISA-N -1 0 363.417 -0.692 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000833274963 600704426 /nfs/dbraw/zinc/70/44/26/600704426.db2.gz ODVIGZZMIRKJEO-SNVBAGLBSA-N -1 0 363.417 -0.692 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)NCCc2nnc3ccccn32)cn1 ZINC000833274980 601257731 /nfs/dbraw/zinc/25/77/31/601257731.db2.gz PJDGREHBZMRWHR-UHFFFAOYSA-N -1 0 350.360 -0.469 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cn1 ZINC000833275001 600746344 /nfs/dbraw/zinc/74/63/44/600746344.db2.gz OJUOPOKBDGOHHF-GFCCVEGCSA-N -1 0 370.431 -0.009 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)n1 ZINC000833275003 601066544 /nfs/dbraw/zinc/06/65/44/601066544.db2.gz FDYRAMJROOUSPQ-UHFFFAOYSA-N -1 0 364.406 -0.260 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cn1 ZINC000833275006 600746475 /nfs/dbraw/zinc/74/64/75/600746475.db2.gz OJUOPOKBDGOHHF-LBPRGKRZSA-N -1 0 370.431 -0.009 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCC[C@@H](N3CCCC3=O)C2)cn1 ZINC000833275033 600745966 /nfs/dbraw/zinc/74/59/66/600745966.db2.gz OUVSZODUNYSKRX-LLVKDONJSA-N -1 0 356.404 -0.257 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCC[C@H](N3CCCC3=O)C2)cn1 ZINC000833275038 600745727 /nfs/dbraw/zinc/74/57/27/600745727.db2.gz OUVSZODUNYSKRX-NSHDSACASA-N -1 0 356.404 -0.257 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CC[C@H](CN3CCOCC3)C2)cn1 ZINC000833275143 600772454 /nfs/dbraw/zinc/77/24/54/600772454.db2.gz RUDGQGBJIPBCFM-GFCCVEGCSA-N -1 0 358.420 -0.690 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CC[C@@H](CN3CCOCC3)C2)cn1 ZINC000833275146 600772363 /nfs/dbraw/zinc/77/23/63/600772363.db2.gz RUDGQGBJIPBCFM-LBPRGKRZSA-N -1 0 358.420 -0.690 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCC[C@@H]2CN2CCOCC2)cn1 ZINC000833275149 600784496 /nfs/dbraw/zinc/78/44/96/600784496.db2.gz RWVAOGPJYSMKHL-GFCCVEGCSA-N -1 0 358.420 -0.547 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCC[C@H]2CN2CCOCC2)cn1 ZINC000833275159 600784662 /nfs/dbraw/zinc/78/46/62/600784662.db2.gz RWVAOGPJYSMKHL-LBPRGKRZSA-N -1 0 358.420 -0.547 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCN(C3CCOCC3)CC2)cn1 ZINC000833275245 601267812 /nfs/dbraw/zinc/26/78/12/601267812.db2.gz UWPPYYQLGIVFFF-UHFFFAOYSA-N -1 0 358.420 -0.547 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCC[C@H](N3CCNC3=O)C2)cn1 ZINC000833275269 600725105 /nfs/dbraw/zinc/72/51/05/600725105.db2.gz VQFAIWXJNOBLIL-JTQLQIEISA-N -1 0 357.392 -0.854 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCC[C@@H](N3CCNC3=O)C2)cn1 ZINC000833275276 600725152 /nfs/dbraw/zinc/72/51/52/600725152.db2.gz VQFAIWXJNOBLIL-SNVBAGLBSA-N -1 0 357.392 -0.854 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cn1 ZINC000833275278 600713776 /nfs/dbraw/zinc/71/37/76/600713776.db2.gz VRZCGKPUKCGZBY-GFCCVEGCSA-N -1 0 370.431 -0.105 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)cn1 ZINC000833275280 600713709 /nfs/dbraw/zinc/71/37/09/600713709.db2.gz VRZCGKPUKCGZBY-LBPRGKRZSA-N -1 0 370.431 -0.105 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCC(O[C@@H]3CCOC3)CC2)cn1 ZINC000833275384 601479365 /nfs/dbraw/zinc/47/93/65/601479365.db2.gz YBGLYFNNPMZZIT-GFCCVEGCSA-N -1 0 359.404 -0.074 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCC(O[C@H]3CCOC3)CC2)cn1 ZINC000833275386 601479498 /nfs/dbraw/zinc/47/94/98/601479498.db2.gz YBGLYFNNPMZZIT-LBPRGKRZSA-N -1 0 359.404 -0.074 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)NCCCn2nc3n(c2=O)CCCC3)n1 ZINC000833275398 601066676 /nfs/dbraw/zinc/06/66/76/601066676.db2.gz DZXUISUYGMFPQE-UHFFFAOYSA-N -1 0 363.378 -0.126 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCNC(=O)[C@H]2c2cccs2)cn1 ZINC000833275450 600792624 /nfs/dbraw/zinc/79/26/24/600792624.db2.gz ZKRLNFOOLKRAIO-GFCCVEGCSA-N -1 0 370.412 -0.109 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2c2cccs2)cn1 ZINC000833275452 600792434 /nfs/dbraw/zinc/79/24/34/600792434.db2.gz ZKRLNFOOLKRAIO-LBPRGKRZSA-N -1 0 370.412 -0.109 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000833275523 601057518 /nfs/dbraw/zinc/05/75/18/601057518.db2.gz KBCKVTPSDOIMRI-UHFFFAOYSA-N -1 0 371.361 -0.241 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)N2CCN(CC(=O)NC3CC3)CC2)n1 ZINC000833275708 601063524 /nfs/dbraw/zinc/06/35/24/601063524.db2.gz MDJDNRWOZJOBKM-UHFFFAOYSA-N -1 0 350.379 -0.604 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)NCCNS(=O)(=O)c2cccnc2)n1 ZINC000833275911 604850997 /nfs/dbraw/zinc/85/09/97/604850997.db2.gz KVOFIDIOZLFSLQ-UHFFFAOYSA-N -1 0 368.375 -0.537 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)n1 ZINC000833275925 601311879 /nfs/dbraw/zinc/31/18/79/601311879.db2.gz KYEOQEMRXBFHMY-LLVKDONJSA-N -1 0 351.363 -0.131 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)n1 ZINC000833275927 601312120 /nfs/dbraw/zinc/31/21/20/601312120.db2.gz KYEOQEMRXBFHMY-NSHDSACASA-N -1 0 351.363 -0.131 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)n1 ZINC000833276273 600844667 /nfs/dbraw/zinc/84/46/67/600844667.db2.gz PABZWCBWAIOJIN-CLAHSXSESA-N -1 0 350.335 -0.533 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)n1 ZINC000833276278 600844725 /nfs/dbraw/zinc/84/47/25/600844725.db2.gz PABZWCBWAIOJIN-RMLUDKJBSA-N -1 0 350.335 -0.533 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)n1 ZINC000833276279 600844688 /nfs/dbraw/zinc/84/46/88/600844688.db2.gz PABZWCBWAIOJIN-RTHLEPHNSA-N -1 0 350.335 -0.533 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)n1 ZINC000833276280 600844756 /nfs/dbraw/zinc/84/47/56/600844756.db2.gz PABZWCBWAIOJIN-XLKFXECMSA-N -1 0 350.335 -0.533 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)NCCNS(=O)(=O)Cc2ccon2)n1 ZINC000833276501 601130658 /nfs/dbraw/zinc/13/06/58/601130658.db2.gz RKXAYQDKBCTITR-UHFFFAOYSA-N -1 0 372.363 -0.803 20 0 FBADRM O=C([O-])Cn1ccc(NC(=O)NCCS(=O)(=O)NCC2CCC2)n1 ZINC000833276969 601068348 /nfs/dbraw/zinc/06/83/48/601068348.db2.gz ZPPUZXNJPHBCAH-UHFFFAOYSA-N -1 0 359.408 -0.191 20 0 FBADRM O=C([O-])NCc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000833280571 601497634 /nfs/dbraw/zinc/49/76/34/601497634.db2.gz KLAFNESBSMVYHL-GFCCVEGCSA-N -1 0 361.358 -0.371 20 0 FBADRM O=C([O-])NCc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000833280572 601497596 /nfs/dbraw/zinc/49/75/96/601497596.db2.gz KLAFNESBSMVYHL-LBPRGKRZSA-N -1 0 361.358 -0.371 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000833291519 601005617 /nfs/dbraw/zinc/00/56/17/601005617.db2.gz YYMYPZOXPLNNJB-CABCVRRESA-N -1 0 351.378 -0.006 20 0 FBADRM O=C([O-])[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000833291652 601744082 /nfs/dbraw/zinc/74/40/82/601744082.db2.gz ZDYWFAVVLLWWDU-GRYCIOLGSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000833291653 601743985 /nfs/dbraw/zinc/74/39/85/601743985.db2.gz ZDYWFAVVLLWWDU-IJLUTSLNSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000833291654 601744136 /nfs/dbraw/zinc/74/41/36/601744136.db2.gz ZDYWFAVVLLWWDU-QJPTWQEYSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000833291655 601744222 /nfs/dbraw/zinc/74/42/22/601744222.db2.gz ZDYWFAVVLLWWDU-SDDRHHMPSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])c1c(F)ccc(S(=O)(=O)NCCN2C(=O)CNC2=O)c1F ZINC000833293936 601236475 /nfs/dbraw/zinc/23/64/75/601236475.db2.gz JEXVDSCCWJYYHZ-UHFFFAOYSA-N -1 0 363.298 -0.507 20 0 FBADRM O=C([O-])c1c(NC[C@@H]2COCCO2)ncnc1NC[C@@H]1COCCO1 ZINC000833293945 605014486 /nfs/dbraw/zinc/01/44/86/605014486.db2.gz JMPIHIWBFIIPFZ-GHMZBOCLSA-N -1 0 354.363 -0.171 20 0 FBADRM O=C([O-])c1c(NC[C@@H]2COCCO2)ncnc1NC[C@H]1COCCO1 ZINC000833293946 605014270 /nfs/dbraw/zinc/01/42/70/605014270.db2.gz JMPIHIWBFIIPFZ-PHIMTYICSA-N -1 0 354.363 -0.171 20 0 FBADRM O=C([O-])c1c(NC[C@H]2COCCO2)ncnc1NC[C@H]1COCCO1 ZINC000833293947 605014391 /nfs/dbraw/zinc/01/43/91/605014391.db2.gz JMPIHIWBFIIPFZ-QWRGUYRKSA-N -1 0 354.363 -0.171 20 0 FBADRM O=C([O-])c1cc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)ccn1 ZINC000833296409 601243106 /nfs/dbraw/zinc/24/31/06/601243106.db2.gz WGSVFRPNIJOPTF-UHFFFAOYSA-N -1 0 362.386 -0.604 20 0 FBADRM O=C([O-])c1cc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)ccn1 ZINC000833296472 601271040 /nfs/dbraw/zinc/27/10/40/601271040.db2.gz XHYYRFRADXMHGT-UHFFFAOYSA-N -1 0 362.386 -0.604 20 0 FBADRM O=C([O-])c1cc(Cl)cc(S(=O)(=O)NCCN2C(=O)CNC2=O)c1 ZINC000833296853 600747596 /nfs/dbraw/zinc/74/75/96/600747596.db2.gz AIVWXRNCEMFVGU-UHFFFAOYSA-N -1 0 361.763 -0.132 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)c[nH]1 ZINC000833301069 600693259 /nfs/dbraw/zinc/69/32/59/600693259.db2.gz SDOMBTIQPLWPSA-UHFFFAOYSA-N -1 0 371.415 -0.028 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c[nH]1 ZINC000833301527 600699272 /nfs/dbraw/zinc/69/92/72/600699272.db2.gz CPAWQFYLPORZTR-LLVKDONJSA-N -1 0 371.415 -0.028 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c[nH]1 ZINC000833301528 600699200 /nfs/dbraw/zinc/69/92/00/600699200.db2.gz CPAWQFYLPORZTR-NSHDSACASA-N -1 0 371.415 -0.028 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN(CC(=O)N3CCCC3)CC2)c[nH]1 ZINC000833302716 601920175 /nfs/dbraw/zinc/92/01/75/601920175.db2.gz AUDRAQCKVVOAGC-UHFFFAOYSA-N -1 0 370.431 -0.358 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c[n-]1 ZINC000833302752 600739769 /nfs/dbraw/zinc/73/97/69/600739769.db2.gz DYHYPYSZCJNZOF-UHFFFAOYSA-N -1 0 370.431 -0.358 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c[nH]1 ZINC000833303033 601267987 /nfs/dbraw/zinc/26/79/87/601267987.db2.gz DRVPKAUCTSWXSR-LLVKDONJSA-N -1 0 357.388 -0.229 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c[nH]1 ZINC000833303034 601267809 /nfs/dbraw/zinc/26/78/09/601267809.db2.gz DRVPKAUCTSWXSR-NSHDSACASA-N -1 0 357.388 -0.229 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2)c[nH]1 ZINC000833304123 600702199 /nfs/dbraw/zinc/70/21/99/600702199.db2.gz BIEUXZBJCVNQAN-UHFFFAOYSA-N -1 0 373.412 -0.030 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NCCS(=O)(=O)NC2CC2)cs1 ZINC000833304208 600706715 /nfs/dbraw/zinc/70/67/15/600706715.db2.gz FMJGVHBSFKNVNV-UHFFFAOYSA-N -1 0 354.431 -0.194 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NCCNS(=O)(=O)c2cccnc2)c[nH]1 ZINC000833304252 604810643 /nfs/dbraw/zinc/81/06/43/604810643.db2.gz ICRHQHRTRWMYLM-UHFFFAOYSA-N -1 0 374.400 -0.635 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NCCCN2CCCS2(=O)=O)c[nH]1 ZINC000833304421 600734611 /nfs/dbraw/zinc/73/46/11/600734611.db2.gz BCNADSHTAIVWOC-UHFFFAOYSA-N -1 0 351.406 -0.583 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NCCN2C(=O)CNC2=O)cc(F)c1F ZINC000833304474 601578177 /nfs/dbraw/zinc/57/81/77/601578177.db2.gz FQFQEFWGDWNKIV-UHFFFAOYSA-N -1 0 363.298 -0.507 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NCCN2C(=O)CNC2=O)ccc1Cl ZINC000833305196 601839893 /nfs/dbraw/zinc/83/98/93/601839893.db2.gz XFVPLKUETPZIGM-UHFFFAOYSA-N -1 0 361.763 -0.132 20 0 FBADRM O=C([O-])c1ccc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1F ZINC000833310037 604930992 /nfs/dbraw/zinc/93/09/92/604930992.db2.gz RNQIGQWPHCZACT-UHFFFAOYSA-N -1 0 362.321 -0.505 20 0 FBADRM O=C([O-])c1ccc(C(=O)NCCNS(=O)(=O)c2cccnc2)nc1 ZINC000833311153 604830768 /nfs/dbraw/zinc/83/07/68/604830768.db2.gz ADNMYNXTANEVIU-UHFFFAOYSA-N -1 0 350.356 -0.117 20 0 FBADRM O=C([O-])c1ccc(CN2C(=O)C(=O)N(CCCN3CCOCC3)C2=O)o1 ZINC000833314402 601979428 /nfs/dbraw/zinc/97/94/28/601979428.db2.gz HBRMGYXWNATTMJ-UHFFFAOYSA-N -1 0 365.342 -0.009 20 0 FBADRM O=C([O-])c1ccc(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)s1 ZINC000833314805 601940103 /nfs/dbraw/zinc/94/01/03/601940103.db2.gz YMDBQDNTIPPMLM-UHFFFAOYSA-N -1 0 367.427 -0.051 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCCC3)CC2)o1 ZINC000833325435 601918367 /nfs/dbraw/zinc/91/83/67/601918367.db2.gz YIMSTUOTROONSL-UHFFFAOYSA-N -1 0 371.415 -0.094 20 0 FBADRM O=C([O-])c1ccc2c(c1)nc(CN1CCN3C(=O)NC(=O)[C@H]3C1)[nH]c2=O ZINC000833325811 601207265 /nfs/dbraw/zinc/20/72/65/601207265.db2.gz YEGJFAAPLKFXBP-LLVKDONJSA-N -1 0 357.326 -0.230 20 0 FBADRM O=C([O-])c1ccc2c(c1)nc(CN1CCN3C(=O)NC(=O)[C@@H]3C1)[nH]c2=O ZINC000833325812 601207109 /nfs/dbraw/zinc/20/71/09/601207109.db2.gz YEGJFAAPLKFXBP-NSHDSACASA-N -1 0 357.326 -0.230 20 0 FBADRM O=C([O-])c1cccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 ZINC000833327625 601390820 /nfs/dbraw/zinc/39/08/20/601390820.db2.gz QOBYYXKSHZGMIK-KBPBESRZSA-N -1 0 368.411 -0.700 20 0 FBADRM O=C([O-])c1cccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 ZINC000833327626 601390882 /nfs/dbraw/zinc/39/08/82/601390882.db2.gz QOBYYXKSHZGMIK-KGLIPLIRSA-N -1 0 368.411 -0.700 20 0 FBADRM O=C([O-])c1cccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 ZINC000833327627 601390742 /nfs/dbraw/zinc/39/07/42/601390742.db2.gz QOBYYXKSHZGMIK-UONOGXRCSA-N -1 0 368.411 -0.700 20 0 FBADRM O=C([O-])c1cccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 ZINC000833327628 601390692 /nfs/dbraw/zinc/39/06/92/601390692.db2.gz QOBYYXKSHZGMIK-ZIAGYGMSSA-N -1 0 368.411 -0.700 20 0 FBADRM O=C([O-])c1cccc(C(=O)NCCNS(=O)(=O)c2cccnc2)n1 ZINC000833328285 604830655 /nfs/dbraw/zinc/83/06/55/604830655.db2.gz HUOWHHODIZEYRY-UHFFFAOYSA-N -1 0 350.356 -0.117 20 0 FBADRM O=C([O-])c1cccc(CS(=O)(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000833329662 604659693 /nfs/dbraw/zinc/65/96/93/604659693.db2.gz QNBWFXPTDIDSMN-AWEZNQCLSA-N -1 0 358.416 -0.503 20 0 FBADRM O=C([O-])c1cccc(CS(=O)(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000833329664 604659762 /nfs/dbraw/zinc/65/97/62/604659762.db2.gz QNBWFXPTDIDSMN-CQSZACIVSA-N -1 0 358.416 -0.503 20 0 FBADRM O=C([O-])c1cccc(N2CC(=O)N(CN3CCS(=O)(=O)CC3)C2=O)c1 ZINC000833330107 601877679 /nfs/dbraw/zinc/87/76/79/601877679.db2.gz MYBDTULXSYELMK-UHFFFAOYSA-N -1 0 367.383 -0.159 20 0 FBADRM O=C([O-])c1ccoc1CN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O ZINC000833333242 601979530 /nfs/dbraw/zinc/97/95/30/601979530.db2.gz DZALPVNKINLDRO-UHFFFAOYSA-N -1 0 365.342 -0.009 20 0 FBADRM O=C([O-])c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CC(O)C2)CC1 ZINC000833335503 602298398 /nfs/dbraw/zinc/29/83/98/602298398.db2.gz SVJGQSVSBDMBLN-UHFFFAOYSA-N -1 0 368.411 -0.011 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)nn1 ZINC000833337699 601508951 /nfs/dbraw/zinc/50/89/51/601508951.db2.gz HIAPBXOWZLLMSR-UHFFFAOYSA-N -1 0 356.404 -0.064 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)nn1 ZINC000833338136 602065269 /nfs/dbraw/zinc/06/52/69/602065269.db2.gz NKOHYPPHEVFDIF-CMPLNLGQSA-N -1 0 350.331 -0.080 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)nn1 ZINC000833338140 602065241 /nfs/dbraw/zinc/06/52/41/602065241.db2.gz NKOHYPPHEVFDIF-JQWIXIFHSA-N -1 0 350.331 -0.080 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)nn1 ZINC000833338142 602065586 /nfs/dbraw/zinc/06/55/86/602065586.db2.gz NKOHYPPHEVFDIF-PWSUYJOCSA-N -1 0 350.331 -0.080 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)nn1 ZINC000833338146 602065216 /nfs/dbraw/zinc/06/52/16/602065216.db2.gz NKOHYPPHEVFDIF-ZYHUDNBSSA-N -1 0 350.331 -0.080 20 0 FBADRM O=C([O-])c1cn(CN2CCN(S(=O)(=O)Cc3ccon3)CC2)nn1 ZINC000833338700 600714930 /nfs/dbraw/zinc/71/49/30/600714930.db2.gz VGHGAHYMRXHNML-UHFFFAOYSA-N -1 0 356.364 -0.931 20 0 FBADRM O=C([O-])c1cn(CN2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)nn1 ZINC000833338705 604812098 /nfs/dbraw/zinc/81/20/98/604812098.db2.gz VMXBAJJLCIYOGI-LLVKDONJSA-N -1 0 371.353 -0.069 20 0 FBADRM O=C([O-])c1cn(CN2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)nn1 ZINC000833338706 604812253 /nfs/dbraw/zinc/81/22/53/604812253.db2.gz VMXBAJJLCIYOGI-NSHDSACASA-N -1 0 371.353 -0.069 20 0 FBADRM O=C([O-])c1cn(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nn1 ZINC000833338838 601278588 /nfs/dbraw/zinc/27/85/88/601278588.db2.gz OIQLTIXJJNYEOK-GHMZBOCLSA-N -1 0 372.403 -0.829 20 0 FBADRM O=C([O-])c1cn(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nn1 ZINC000833338839 601278629 /nfs/dbraw/zinc/27/86/29/601278629.db2.gz OIQLTIXJJNYEOK-MNOVXSKESA-N -1 0 372.403 -0.829 20 0 FBADRM O=C([O-])c1cn(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nn1 ZINC000833338840 601278606 /nfs/dbraw/zinc/27/86/06/601278606.db2.gz OIQLTIXJJNYEOK-QWRGUYRKSA-N -1 0 372.403 -0.829 20 0 FBADRM O=C([O-])c1cn(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nn1 ZINC000833338841 601278504 /nfs/dbraw/zinc/27/85/04/601278504.db2.gz OIQLTIXJJNYEOK-WDEREUQCSA-N -1 0 372.403 -0.829 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCN(C(=O)c3ccccc3O)CC2)nn1 ZINC000833339186 601387398 /nfs/dbraw/zinc/38/73/98/601387398.db2.gz BIKBPFPIFAHGBH-UHFFFAOYSA-N -1 0 359.342 -0.334 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)nn1 ZINC000833339577 601283546 /nfs/dbraw/zinc/28/35/46/601283546.db2.gz DXJXNZCBOIUVJZ-HNNXBMFYSA-N -1 0 359.386 -0.146 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)nn1 ZINC000833339579 601283469 /nfs/dbraw/zinc/28/34/69/601283469.db2.gz DXJXNZCBOIUVJZ-OAHLLOKOSA-N -1 0 359.386 -0.146 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)nn1 ZINC000833339587 601290296 /nfs/dbraw/zinc/29/02/96/601290296.db2.gz FMALIXQNSQVJDE-UHFFFAOYSA-N -1 0 361.333 -0.014 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)nn1 ZINC000833339969 601389236 /nfs/dbraw/zinc/38/92/36/601389236.db2.gz MXSLCRIJQAIXIA-UHFFFAOYSA-N -1 0 359.342 -0.334 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)nn1 ZINC000833340001 601273724 /nfs/dbraw/zinc/27/37/24/601273724.db2.gz NIUDSVWBMHOQFJ-UHFFFAOYSA-N -1 0 369.385 -0.032 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCN(Cc3nccn3C(F)F)CC2)nn1 ZINC000833340021 601279101 /nfs/dbraw/zinc/27/91/01/601279101.db2.gz ODMUXWKBIDHBOQ-UHFFFAOYSA-N -1 0 369.332 -0.088 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)nn1 ZINC000833340344 602197238 /nfs/dbraw/zinc/19/72/38/602197238.db2.gz RMEQUUBHHGRKBU-UHFFFAOYSA-N -1 0 359.342 -0.334 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)nn1 ZINC000833340391 601281386 /nfs/dbraw/zinc/28/13/86/601281386.db2.gz STVZUVJDKKDFRH-GFCCVEGCSA-N -1 0 351.363 -0.784 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)nn1 ZINC000833340393 601281309 /nfs/dbraw/zinc/28/13/09/601281309.db2.gz STVZUVJDKKDFRH-LBPRGKRZSA-N -1 0 351.363 -0.784 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)nn1 ZINC000833340492 601196205 /nfs/dbraw/zinc/19/62/05/601196205.db2.gz UTMZUQANNHFOFR-UHFFFAOYSA-N -1 0 364.406 -0.867 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)nn1 ZINC000833340788 601196190 /nfs/dbraw/zinc/19/61/90/601196190.db2.gz WQIXRCJPEFWVQR-LLVKDONJSA-N -1 0 351.363 -0.926 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)nn1 ZINC000833340795 601195900 /nfs/dbraw/zinc/19/59/00/601195900.db2.gz WQIXRCJPEFWVQR-NSHDSACASA-N -1 0 351.363 -0.926 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCCN(CC(=O)N3CCCC3)CC2)nn1 ZINC000833340815 601285680 /nfs/dbraw/zinc/28/56/80/601285680.db2.gz XAYUTOIHWPMNJU-UHFFFAOYSA-N -1 0 364.406 -0.867 20 0 FBADRM O=C([O-])c1ccsc1N1CC[C@@H](NC(=O)N2CCO[C@H](CO)C2)C1=O ZINC000833340952 601140828 /nfs/dbraw/zinc/14/08/28/601140828.db2.gz KXGZGUABWPPNSH-GXSJLCMTSA-N -1 0 369.399 -0.046 20 0 FBADRM O=C([O-])c1ccsc1N1CC[C@H](NC(=O)N2CCO[C@@H](CO)C2)C1=O ZINC000833340955 601141047 /nfs/dbraw/zinc/14/10/47/601141047.db2.gz KXGZGUABWPPNSH-KOLCDFICSA-N -1 0 369.399 -0.046 20 0 FBADRM O=C([O-])c1ccsc1N1CC[C@@H](NC(=O)N2CCO[C@@H](CO)C2)C1=O ZINC000833340958 601141105 /nfs/dbraw/zinc/14/11/05/601141105.db2.gz KXGZGUABWPPNSH-MWLCHTKSSA-N -1 0 369.399 -0.046 20 0 FBADRM O=C([O-])c1ccsc1N1CC[C@H](NC(=O)N2CCO[C@H](CO)C2)C1=O ZINC000833340961 601140845 /nfs/dbraw/zinc/14/08/45/601140845.db2.gz KXGZGUABWPPNSH-ONGXEEELSA-N -1 0 369.399 -0.046 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)nn1 ZINC000833341006 601276343 /nfs/dbraw/zinc/27/63/43/601276343.db2.gz ZNIBMAMFBHQYTG-UHFFFAOYSA-N -1 0 357.370 -0.110 20 0 FBADRM O=C([O-])c1csc(S(=O)(=O)N2CCN([C@H]3CCNC3=O)CC2)c1 ZINC000833343463 604423551 /nfs/dbraw/zinc/42/35/51/604423551.db2.gz GJRAFMQPLVJKTG-JTQLQIEISA-N -1 0 359.429 -0.359 20 0 FBADRM O=C([O-])c1csc(S(=O)(=O)N2CCN([C@@H]3CCNC3=O)CC2)c1 ZINC000833343464 604423926 /nfs/dbraw/zinc/42/39/26/604423926.db2.gz GJRAFMQPLVJKTG-SNVBAGLBSA-N -1 0 359.429 -0.359 20 0 FBADRM O=C([O-])c1csc(S(=O)(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)c1 ZINC000833343708 604847032 /nfs/dbraw/zinc/84/70/32/604847032.db2.gz MVWKIEDDJCPHKY-UHFFFAOYSA-N -1 0 371.400 -0.289 20 0 FBADRM O=C([O-])c1ncn(CN2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)n1 ZINC000833344699 604812153 /nfs/dbraw/zinc/81/21/53/604812153.db2.gz GGZJXYADEJOUJC-LLVKDONJSA-N -1 0 371.353 -0.069 20 0 FBADRM O=C([O-])c1ncn(CN2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)n1 ZINC000833344700 604812252 /nfs/dbraw/zinc/81/22/52/604812252.db2.gz GGZJXYADEJOUJC-NSHDSACASA-N -1 0 371.353 -0.069 20 0 FBADRM O=C([O-])c1occc1CN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O ZINC000833345991 601991406 /nfs/dbraw/zinc/99/14/06/601991406.db2.gz IXGQUSUAHIDGIW-UHFFFAOYSA-N -1 0 365.342 -0.009 20 0 FBADRM O=C([O-])c1sccc1CN1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000833348709 601806288 /nfs/dbraw/zinc/80/62/88/601806288.db2.gz PWFSYJOWEMRUBW-UHFFFAOYSA-N -1 0 367.427 -0.051 20 0 FBADRM O=C([O-])c1cn(CC(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)nn1 ZINC000833355321 601289342 /nfs/dbraw/zinc/28/93/42/601289342.db2.gz LGJWPAXFHPWDCQ-JTQLQIEISA-N -1 0 357.326 -0.180 20 0 FBADRM O=C([O-])c1cn(CC(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)nn1 ZINC000833355322 601289328 /nfs/dbraw/zinc/28/93/28/601289328.db2.gz LGJWPAXFHPWDCQ-SNVBAGLBSA-N -1 0 357.326 -0.180 20 0 FBADRM O=C([O-])[C@@]1(F)CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000833355330 601660336 /nfs/dbraw/zinc/66/03/36/601660336.db2.gz LQXCZJLUMKIAQA-BLLLJJGKSA-N -1 0 357.382 -0.808 20 0 FBADRM O=C([O-])[C@]1(F)CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000833355331 601660425 /nfs/dbraw/zinc/66/04/25/601660425.db2.gz LQXCZJLUMKIAQA-LRDDRELGSA-N -1 0 357.382 -0.808 20 0 FBADRM O=C([O-])[C@@]1(F)CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000833355333 601660294 /nfs/dbraw/zinc/66/02/94/601660294.db2.gz LQXCZJLUMKIAQA-MLGOLLRUSA-N -1 0 357.382 -0.808 20 0 FBADRM O=C([O-])[C@]1(F)CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000833355334 601660234 /nfs/dbraw/zinc/66/02/34/601660234.db2.gz LQXCZJLUMKIAQA-WBMJQRKESA-N -1 0 357.382 -0.808 20 0 FBADRM O=C([O-])c1ccc2c(c1)nc(CN1CCN3C(=O)C(=O)NC[C@H]3C1)[nH]c2=O ZINC000833357704 601133883 /nfs/dbraw/zinc/13/38/83/601133883.db2.gz HAHHLCNDOMYKGE-JTQLQIEISA-N -1 0 371.353 -0.824 20 0 FBADRM O=C([O-])c1ccc2c(c1)nc(CN1CCN3C(=O)C(=O)NC[C@@H]3C1)[nH]c2=O ZINC000833357710 601133654 /nfs/dbraw/zinc/13/36/54/601133654.db2.gz HAHHLCNDOMYKGE-SNVBAGLBSA-N -1 0 371.353 -0.824 20 0 FBADRM O=C([O-])C1(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)CCS(=O)(=O)CC1 ZINC000833357913 601716260 /nfs/dbraw/zinc/71/62/60/601716260.db2.gz KDRUYOAPELXNNQ-GFCCVEGCSA-N -1 0 367.379 -0.084 20 0 FBADRM O=C([O-])C1(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)CCS(=O)(=O)CC1 ZINC000833357914 601716306 /nfs/dbraw/zinc/71/63/06/601716306.db2.gz KDRUYOAPELXNNQ-LBPRGKRZSA-N -1 0 367.379 -0.084 20 0 FBADRM O=C([O-])c1ccsc1N1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1=O ZINC000833358131 601112335 /nfs/dbraw/zinc/11/23/35/601112335.db2.gz CMOVAACHLLHBRW-MRVPVSSYSA-N -1 0 366.355 -0.780 20 0 FBADRM O=C([O-])c1ccsc1N1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1=O ZINC000833358132 601112354 /nfs/dbraw/zinc/11/23/54/601112354.db2.gz CMOVAACHLLHBRW-QMMMGPOBSA-N -1 0 366.355 -0.780 20 0 FBADRM O=C([O-])c1ccsc1N1CC[C@@H](NC(=O)N2CCNC(=O)C2)C1=O ZINC000833358183 601152871 /nfs/dbraw/zinc/15/28/71/601152871.db2.gz FEOXQBFOXHCVDD-SECBINFHSA-N -1 0 352.372 -0.307 20 0 FBADRM O=C([O-])c1ccsc1N1CC[C@H](NC(=O)N2CCNC(=O)C2)C1=O ZINC000833358185 601152831 /nfs/dbraw/zinc/15/28/31/601152831.db2.gz FEOXQBFOXHCVDD-VIFPVBQESA-N -1 0 352.372 -0.307 20 0 FBADRM O=C([O-])c1ccsc1N1CC[C@@H](OC(=O)CN2CC(=O)NC2=O)C1=O ZINC000833358475 600667335 /nfs/dbraw/zinc/66/73/35/600667335.db2.gz KLFJAKHHIJCHDS-MRVPVSSYSA-N -1 0 367.339 -0.353 20 0 FBADRM O=C([O-])c1ccsc1N1CC[C@H](OC(=O)CN2CC(=O)NC2=O)C1=O ZINC000833358478 600667375 /nfs/dbraw/zinc/66/73/75/600667375.db2.gz KLFJAKHHIJCHDS-QMMMGPOBSA-N -1 0 367.339 -0.353 20 0 FBADRM O=C([O-])c1cccc(N2CC(=O)N(CC(=O)N3CCNC(=O)C3)C2=O)c1 ZINC000833358672 601885180 /nfs/dbraw/zinc/88/51/80/601885180.db2.gz OQCZSCPXOUTTGE-UHFFFAOYSA-N -1 0 360.326 -0.888 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)C1 ZINC000833359146 601345949 /nfs/dbraw/zinc/34/59/49/601345949.db2.gz VUBJIYRLYUZDBW-GFCCVEGCSA-N -1 0 374.397 -0.116 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)C1 ZINC000833359147 601345887 /nfs/dbraw/zinc/34/58/87/601345887.db2.gz VUBJIYRLYUZDBW-LBPRGKRZSA-N -1 0 374.397 -0.116 20 0 FBADRM O=C([O-])[C@]1(F)CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 ZINC000833360263 601483397 /nfs/dbraw/zinc/48/33/97/601483397.db2.gz DRRAQBQGBIRHGA-HNNXBMFYSA-N -1 0 351.290 -0.019 20 0 FBADRM O=C([O-])[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 ZINC000833360270 601483409 /nfs/dbraw/zinc/48/34/09/601483409.db2.gz DRRAQBQGBIRHGA-OAHLLOKOSA-N -1 0 351.290 -0.019 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c[nH]1 ZINC000833360710 602401583 /nfs/dbraw/zinc/40/15/83/602401583.db2.gz IRAWMOSELMUYIF-CPFSXVBKSA-N -1 0 356.360 -0.631 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c[nH]1 ZINC000833360711 602401605 /nfs/dbraw/zinc/40/16/05/602401605.db2.gz IRAWMOSELMUYIF-FUXBKTLASA-N -1 0 356.360 -0.631 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)c[nH]1 ZINC000833360712 602401521 /nfs/dbraw/zinc/40/15/21/602401521.db2.gz IRAWMOSELMUYIF-UHLUBPPHSA-N -1 0 356.360 -0.631 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c[nH]1 ZINC000833360713 602401609 /nfs/dbraw/zinc/40/16/09/602401609.db2.gz IRAWMOSELMUYIF-WPPNPWJKSA-N -1 0 356.360 -0.631 20 0 FBADRM O=C([O-])[C@]1(F)CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)C1 ZINC000833360724 601483130 /nfs/dbraw/zinc/48/31/30/601483130.db2.gz JANVDTGSKSFFTG-HNNXBMFYSA-N -1 0 351.290 -0.019 20 0 FBADRM O=C([O-])[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)C1 ZINC000833360725 601483069 /nfs/dbraw/zinc/48/30/69/601483069.db2.gz JANVDTGSKSFFTG-OAHLLOKOSA-N -1 0 351.290 -0.019 20 0 FBADRM O=C([O-])c1ccsc1N1CC[C@H](N2CC[C@]3(C2)NC(=O)NC3=O)C1=O ZINC000833361331 600823409 /nfs/dbraw/zinc/82/34/09/600823409.db2.gz UEXLSQODGLPNPJ-BJOHPYRUSA-N -1 0 364.383 -0.165 20 0 FBADRM O=C([O-])c1ccsc1N1CC[C@@H](N2CC[C@@]3(C2)NC(=O)NC3=O)C1=O ZINC000833361332 600823467 /nfs/dbraw/zinc/82/34/67/600823467.db2.gz UEXLSQODGLPNPJ-PSLIRLAXSA-N -1 0 364.383 -0.165 20 0 FBADRM O=C([O-])c1ccsc1N1CC[C@@H](N2CC[C@]3(C2)NC(=O)NC3=O)C1=O ZINC000833361333 600823302 /nfs/dbraw/zinc/82/33/02/600823302.db2.gz UEXLSQODGLPNPJ-RFAUZJTJSA-N -1 0 364.383 -0.165 20 0 FBADRM O=C([O-])c1ccsc1N1CC[C@H](N2CC[C@@]3(C2)NC(=O)NC3=O)C1=O ZINC000833361334 600823389 /nfs/dbraw/zinc/82/33/89/600823389.db2.gz UEXLSQODGLPNPJ-VFZGTOFNSA-N -1 0 364.383 -0.165 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)o1 ZINC000833361412 600990584 /nfs/dbraw/zinc/99/05/84/600990584.db2.gz WHSSEBODYMIPRO-CPFSXVBKSA-N -1 0 357.344 -0.366 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)o1 ZINC000833361413 600990563 /nfs/dbraw/zinc/99/05/63/600990563.db2.gz WHSSEBODYMIPRO-FUXBKTLASA-N -1 0 357.344 -0.366 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)o1 ZINC000833361414 600990724 /nfs/dbraw/zinc/99/07/24/600990724.db2.gz WHSSEBODYMIPRO-UHLUBPPHSA-N -1 0 357.344 -0.366 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)o1 ZINC000833361415 600990680 /nfs/dbraw/zinc/99/06/80/600990680.db2.gz WHSSEBODYMIPRO-WPPNPWJKSA-N -1 0 357.344 -0.366 20 0 FBADRM CC(=O)N(CCc1ccccc1)CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000833389129 604943449 /nfs/dbraw/zinc/94/34/49/604943449.db2.gz GCTVINOGMDDIBB-HNNXBMFYSA-N -1 0 361.398 -0.121 20 0 FBADRM CC(=O)N(CCc1ccccc1)CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000833389130 604943201 /nfs/dbraw/zinc/94/32/01/604943201.db2.gz GCTVINOGMDDIBB-OAHLLOKOSA-N -1 0 361.398 -0.121 20 0 FBADRM CC(=O)N1CCN(CCNS(=O)(=O)c2cc(C(=O)[O-])oc2C)CC1 ZINC000833390084 604506286 /nfs/dbraw/zinc/50/62/86/604506286.db2.gz BKMNNALZIFMXDZ-UHFFFAOYSA-N -1 0 359.404 -0.271 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(CN3C[C@@H](C(=O)[O-])CC3=O)C[C@@H]2C)CC1 ZINC000833390097 605174589 /nfs/dbraw/zinc/17/45/89/605174589.db2.gz BNWUDPSDULEVIE-AEGPPILISA-N -1 0 352.435 -0.639 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(CN3C[C@H](C(=O)[O-])CC3=O)C[C@H]2C)CC1 ZINC000833390101 605174752 /nfs/dbraw/zinc/17/47/52/605174752.db2.gz BNWUDPSDULEVIE-BPLDGKMQSA-N -1 0 352.435 -0.639 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(CN3C[C@H](C(=O)[O-])CC3=O)C[C@@H]2C)CC1 ZINC000833390103 605174775 /nfs/dbraw/zinc/17/47/75/605174775.db2.gz BNWUDPSDULEVIE-NWANDNLSSA-N -1 0 352.435 -0.639 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(CN3C[C@@H](C(=O)[O-])CC3=O)C[C@H]2C)CC1 ZINC000833390105 605174895 /nfs/dbraw/zinc/17/48/95/605174895.db2.gz BNWUDPSDULEVIE-VHDGCEQUSA-N -1 0 352.435 -0.639 20 0 FBADRM CC(=O)N1CCN([C@H]2CN(C(=O)c3cc(C(=O)[O-])no3)C[C@@H]2C)CC1 ZINC000833390862 605875814 /nfs/dbraw/zinc/87/58/14/605875814.db2.gz KNDBEPJSUIMBTP-GWCFXTLKSA-N -1 0 350.375 -0.003 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)c3cc(C(=O)[O-])no3)C[C@@H]2C)CC1 ZINC000833390863 605875787 /nfs/dbraw/zinc/87/57/87/605875787.db2.gz KNDBEPJSUIMBTP-GXFFZTMASA-N -1 0 350.375 -0.003 20 0 FBADRM CC(=O)N1CCN([C@H]2CN(C(=O)c3cc(C(=O)[O-])no3)C[C@H]2C)CC1 ZINC000833390864 605875853 /nfs/dbraw/zinc/87/58/53/605875853.db2.gz KNDBEPJSUIMBTP-MFKMUULPSA-N -1 0 350.375 -0.003 20 0 FBADRM CC(=O)N1CCN([C@@H]2CN(C(=O)c3cc(C(=O)[O-])no3)C[C@H]2C)CC1 ZINC000833390865 605875633 /nfs/dbraw/zinc/87/56/33/605875633.db2.gz KNDBEPJSUIMBTP-ZWNOBZJWSA-N -1 0 350.375 -0.003 20 0 FBADRM CC(=O)N1CCN(CCNS(=O)(=O)c2cc(F)ccc2C(=O)[O-])CC1 ZINC000833391072 605016909 /nfs/dbraw/zinc/01/69/09/605016909.db2.gz NAJBZYQNUDYKFQ-UHFFFAOYSA-N -1 0 373.406 -0.034 20 0 FBADRM CC(=O)N1CCN(CCNS(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC000833391114 605016943 /nfs/dbraw/zinc/01/69/43/605016943.db2.gz NVCPRYRTLFFNQE-UHFFFAOYSA-N -1 0 362.433 -0.716 20 0 FBADRM CC(=O)N1CCN(CCNS(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC000833391249 605301560 /nfs/dbraw/zinc/30/15/60/605301560.db2.gz PFZGLCNDSAVVBQ-UHFFFAOYSA-N -1 0 362.433 -0.716 20 0 FBADRM CC(=O)N1CCN(CCNC(=O)C(=O)Nc2ccsc2C(=O)[O-])CC1 ZINC000833391785 605449108 /nfs/dbraw/zinc/44/91/08/605449108.db2.gz UQYAKWGGZAMVKU-UHFFFAOYSA-N -1 0 368.415 -0.335 20 0 FBADRM CC(=O)N1CCN(CCNS(=O)(=O)c2ccc(F)cc2C(=O)[O-])CC1 ZINC000833391813 604682286 /nfs/dbraw/zinc/68/22/86/604682286.db2.gz VUAXOZAVJQAQLQ-UHFFFAOYSA-N -1 0 373.406 -0.034 20 0 FBADRM CC(=O)N1CCN(CCNS(=O)(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000833391823 604689284 /nfs/dbraw/zinc/68/92/84/604689284.db2.gz WCLVOWKTXDMYRS-UHFFFAOYSA-N -1 0 356.404 -0.778 20 0 FBADRM CC(=O)N1CCN(CCNS(=O)(=O)c2ccccc2C(=O)[O-])CC1 ZINC000833391831 605017086 /nfs/dbraw/zinc/01/70/86/605017086.db2.gz WJMCPMLWKAEZIA-UHFFFAOYSA-N -1 0 355.416 -0.173 20 0 FBADRM CC(=O)N1CCN(CCNS(=O)(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC000833392224 605017076 /nfs/dbraw/zinc/01/70/76/605017076.db2.gz YSKMOYFSLRQQTR-UHFFFAOYSA-N -1 0 369.443 -0.032 20 0 FBADRM CC(=O)N1CCN(CCNS(=O)(=O)c2cccc(F)c2C(=O)[O-])CC1 ZINC000833392265 605017042 /nfs/dbraw/zinc/01/70/42/605017042.db2.gz ZSKVEINCYGYRPX-UHFFFAOYSA-N -1 0 373.406 -0.034 20 0 FBADRM CC(=O)N1CCOC[C@@H]1C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000833392575 605041005 /nfs/dbraw/zinc/04/10/05/605041005.db2.gz WAGJLMCTEYEHNO-DZGCQCFKSA-N -1 0 350.371 -0.001 20 0 FBADRM CC(=O)N1CCOC[C@H]1C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000833392576 605041014 /nfs/dbraw/zinc/04/10/14/605041014.db2.gz WAGJLMCTEYEHNO-HIFRSBDPSA-N -1 0 350.371 -0.001 20 0 FBADRM CC(=O)N1CCOC[C@@H]1C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000833392577 605041008 /nfs/dbraw/zinc/04/10/08/605041008.db2.gz WAGJLMCTEYEHNO-UKRRQHHQSA-N -1 0 350.371 -0.001 20 0 FBADRM CC(=O)N1CCOC[C@H]1C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000833392578 605041106 /nfs/dbraw/zinc/04/11/06/605041106.db2.gz WAGJLMCTEYEHNO-ZFWWWQNUSA-N -1 0 350.371 -0.001 20 0 FBADRM CC(=O)N1CCOC[C@H]1C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000833392581 604662593 /nfs/dbraw/zinc/66/25/93/604662593.db2.gz WCKNSOJPDVIGAS-AWEZNQCLSA-N -1 0 363.370 -0.384 20 0 FBADRM CC(=O)N1CCOC[C@@H]1C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000833392583 604662534 /nfs/dbraw/zinc/66/25/34/604662534.db2.gz WCKNSOJPDVIGAS-CQSZACIVSA-N -1 0 363.370 -0.384 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNC(=O)Nc2cncc(C(=O)[O-])c2)CC1 ZINC000833393636 605169124 /nfs/dbraw/zinc/16/91/24/605169124.db2.gz NOZPLFJNUMYBEP-UHFFFAOYSA-N -1 0 363.374 -0.018 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000833394439 605201866 /nfs/dbraw/zinc/20/18/66/605201866.db2.gz ZBHIHDDODRVQPG-UHFFFAOYSA-N -1 0 373.387 -0.663 20 0 FBADRM CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NC[C@H](O)C(=O)[O-] ZINC000833395051 605088580 /nfs/dbraw/zinc/08/85/80/605088580.db2.gz AWBDPDCBTNBGSB-KBPBESRZSA-N -1 0 351.334 -0.084 20 0 FBADRM CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NC[C@H](O)C(=O)[O-] ZINC000833395053 605088806 /nfs/dbraw/zinc/08/88/06/605088806.db2.gz AWBDPDCBTNBGSB-KGLIPLIRSA-N -1 0 351.334 -0.084 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccsc2C(=O)[O-])CCO1 ZINC000833396097 605471968 /nfs/dbraw/zinc/47/19/68/605471968.db2.gz FDWHKXBAFWSMIZ-SECBINFHSA-N -1 0 355.372 -0.252 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccsc2C(=O)[O-])CCO1 ZINC000833396098 605471624 /nfs/dbraw/zinc/47/16/24/605471624.db2.gz FDWHKXBAFWSMIZ-VIFPVBQESA-N -1 0 355.372 -0.252 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)CCO1 ZINC000833396385 605027704 /nfs/dbraw/zinc/02/77/04/605027704.db2.gz IQUKXQQZMSSHEY-LLVKDONJSA-N -1 0 352.347 -0.975 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)CCO1 ZINC000833396386 605027822 /nfs/dbraw/zinc/02/78/22/605027822.db2.gz IQUKXQQZMSSHEY-NSHDSACASA-N -1 0 352.347 -0.975 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)cc2C(=O)[O-])CCO1 ZINC000833396611 605920812 /nfs/dbraw/zinc/92/08/12/605920812.db2.gz NAFCFRPMVQRSSR-GFCCVEGCSA-N -1 0 363.370 -0.005 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc(C)cc2C(=O)[O-])CCO1 ZINC000833396612 605920776 /nfs/dbraw/zinc/92/07/76/605920776.db2.gz NAFCFRPMVQRSSR-LBPRGKRZSA-N -1 0 363.370 -0.005 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)cc1 ZINC000833397017 604702490 /nfs/dbraw/zinc/70/24/90/604702490.db2.gz FDHAJCJCOLXABT-UHFFFAOYSA-N -1 0 370.427 -0.035 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)NCc1ccccc1-c1cc(C(=O)[O-])n[nH]1 ZINC000833397042 605259829 /nfs/dbraw/zinc/25/98/29/605259829.db2.gz UYVOQJYHPOFBEA-UHFFFAOYSA-N -1 0 373.369 -0.357 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])CCO1 ZINC000833397112 605920483 /nfs/dbraw/zinc/92/04/83/605920483.db2.gz WYBOXESXEXRXCK-LLVKDONJSA-N -1 0 367.333 -0.174 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])CCO1 ZINC000833397113 605920641 /nfs/dbraw/zinc/92/06/41/605920641.db2.gz WYBOXESXEXRXCK-NSHDSACASA-N -1 0 367.333 -0.174 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])CCO1 ZINC000833397114 605920630 /nfs/dbraw/zinc/92/06/30/605920630.db2.gz XBGSEGZVWAFUDR-JTQLQIEISA-N -1 0 367.333 -0.174 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])CCO1 ZINC000833397116 605920742 /nfs/dbraw/zinc/92/07/42/605920742.db2.gz XBGSEGZVWAFUDR-SNVBAGLBSA-N -1 0 367.333 -0.174 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@H](C(=O)[O-])c1cccc(O)c1 ZINC000833397376 605095136 /nfs/dbraw/zinc/09/51/36/605095136.db2.gz PGJAGJQWGQPDRT-HNNXBMFYSA-N -1 0 351.359 -0.333 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC000833397377 605095352 /nfs/dbraw/zinc/09/53/52/605095352.db2.gz PGJAGJQWGQPDRT-OAHLLOKOSA-N -1 0 351.359 -0.333 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])s1 ZINC000833397519 605072106 /nfs/dbraw/zinc/07/21/06/605072106.db2.gz QWAXYJSOPALMFZ-KOLCDFICSA-N -1 0 362.429 -0.365 20 0 FBADRM CC(=O)N[C@@H](CC(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-])C(N)=O ZINC000833397925 604851790 /nfs/dbraw/zinc/85/17/90/604851790.db2.gz QZVNAFGSZGPZGM-NWDGAFQWSA-N -1 0 355.322 -0.846 20 0 FBADRM CC(=O)N[C@@H](CC(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)[O-])C(N)=O ZINC000833397926 604852171 /nfs/dbraw/zinc/85/21/71/604852171.db2.gz QZVNAFGSZGPZGM-RYUDHWBXSA-N -1 0 355.322 -0.846 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)s1 ZINC000833397965 604702874 /nfs/dbraw/zinc/70/28/74/604702874.db2.gz SSTJXSCCWAWTEW-UHFFFAOYSA-N -1 0 362.429 -0.016 20 0 FBADRM CC(=O)c1[nH]c(CC(=O)N2CCN(C(=O)[C@@H](C)O)CC2)c(C(=O)[O-])c1C ZINC000833399864 605137072 /nfs/dbraw/zinc/13/70/72/605137072.db2.gz DUKMWAAVJLNYKS-LLVKDONJSA-N -1 0 365.386 -0.182 20 0 FBADRM CC(=O)c1[nH]c(CC(=O)N2CCN(C(=O)[C@H](C)O)CC2)c(C(=O)[O-])c1C ZINC000833399865 605136919 /nfs/dbraw/zinc/13/69/19/605136919.db2.gz DUKMWAAVJLNYKS-NSHDSACASA-N -1 0 365.386 -0.182 20 0 FBADRM CC(=O)c1[nH]c(CC(=O)N2CCN(C(=O)CO)CC2)c(C(=O)[O-])c1C ZINC000833400852 604899218 /nfs/dbraw/zinc/89/92/18/604899218.db2.gz QITPPRNENIBDJP-UHFFFAOYSA-N -1 0 351.359 -0.570 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC000833401737 605024092 /nfs/dbraw/zinc/02/40/92/605024092.db2.gz MZQNKZNIWYVUIE-LBPRGKRZSA-N -1 0 358.372 -0.881 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)n1cccn1 ZINC000833402400 605531747 /nfs/dbraw/zinc/53/17/47/605531747.db2.gz LJYAHKHUGKTRMZ-JTQLQIEISA-N -1 0 361.362 -0.724 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)n1cccn1 ZINC000833402401 605531654 /nfs/dbraw/zinc/53/16/54/605531654.db2.gz LJYAHKHUGKTRMZ-SNVBAGLBSA-N -1 0 361.362 -0.724 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)n1cccn1 ZINC000833402781 604900543 /nfs/dbraw/zinc/90/05/43/604900543.db2.gz WFDROKAMMGURCR-BXUZGUMPSA-N -1 0 352.391 -0.413 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)N1CCC([C@H](O)C(=O)[O-])CC1)n1cccn1 ZINC000833402782 604900468 /nfs/dbraw/zinc/90/04/68/604900468.db2.gz WFDROKAMMGURCR-FZMZJTMJSA-N -1 0 352.391 -0.413 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)N1CCC([C@H](O)C(=O)[O-])CC1)n1cccn1 ZINC000833402783 604900746 /nfs/dbraw/zinc/90/07/46/604900746.db2.gz WFDROKAMMGURCR-RISCZKNCSA-N -1 0 352.391 -0.413 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)n1cccn1 ZINC000833402784 604900590 /nfs/dbraw/zinc/90/05/90/604900590.db2.gz WFDROKAMMGURCR-SMDDNHRTSA-N -1 0 352.391 -0.413 20 0 FBADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000833403225 605194635 /nfs/dbraw/zinc/19/46/35/605194635.db2.gz FSBPKIRTDMZJBB-NWDGAFQWSA-N -1 0 361.464 -0.336 20 0 FBADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000833403226 605194569 /nfs/dbraw/zinc/19/45/69/605194569.db2.gz FSBPKIRTDMZJBB-RYUDHWBXSA-N -1 0 361.464 -0.336 20 0 FBADRM C[C@@H](C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000833403303 604907474 /nfs/dbraw/zinc/90/74/74/604907474.db2.gz HSYSRCUEGRQGCA-CMPLNLGQSA-N -1 0 367.402 -0.076 20 0 FBADRM C[C@@H](C(=O)N1CCC([C@H](O)C(=O)[O-])CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000833403304 604907240 /nfs/dbraw/zinc/90/72/40/604907240.db2.gz HSYSRCUEGRQGCA-JQWIXIFHSA-N -1 0 367.402 -0.076 20 0 FBADRM C[C@H](C(=O)N1CCC([C@H](O)C(=O)[O-])CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000833403305 604907690 /nfs/dbraw/zinc/90/76/90/604907690.db2.gz HSYSRCUEGRQGCA-PWSUYJOCSA-N -1 0 367.402 -0.076 20 0 FBADRM C[C@H](C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000833403306 604907336 /nfs/dbraw/zinc/90/73/36/604907336.db2.gz HSYSRCUEGRQGCA-ZYHUDNBSSA-N -1 0 367.402 -0.076 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000833403367 605023975 /nfs/dbraw/zinc/02/39/75/605023975.db2.gz IHZXKVJMNYOJTB-LBPRGKRZSA-N -1 0 358.372 -0.881 20 0 FBADRM C[C@@H](C(=O)N1CCCC1)N1CCN(CN2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000833403936 605175160 /nfs/dbraw/zinc/17/51/60/605175160.db2.gz LLMFQKILVNBXFL-KBPBESRZSA-N -1 0 352.435 -0.495 20 0 FBADRM C[C@H](C(=O)N1CCCC1)N1CCN(CN2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000833403938 605175224 /nfs/dbraw/zinc/17/52/24/605175224.db2.gz LLMFQKILVNBXFL-KGLIPLIRSA-N -1 0 352.435 -0.495 20 0 FBADRM C[C@@H](C(=O)N1CCCC1)N1CCN(CN2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000833403940 605175143 /nfs/dbraw/zinc/17/51/43/605175143.db2.gz LLMFQKILVNBXFL-UONOGXRCSA-N -1 0 352.435 -0.495 20 0 FBADRM C[C@H](C(=O)N1CCCC1)N1CCN(CN2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000833403942 605175365 /nfs/dbraw/zinc/17/53/65/605175365.db2.gz LLMFQKILVNBXFL-ZIAGYGMSSA-N -1 0 352.435 -0.495 20 0 FBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000833404389 605050410 /nfs/dbraw/zinc/05/04/10/605050410.db2.gz JVJXKBGOPRLHJR-LLVKDONJSA-N -1 0 355.416 -0.143 20 0 FBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000833404390 605050723 /nfs/dbraw/zinc/05/07/23/605050723.db2.gz JVJXKBGOPRLHJR-NSHDSACASA-N -1 0 355.416 -0.143 20 0 FBADRM C[C@H](C(=O)N1CCC(O)(C(=O)[O-])CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000833404728 604745300 /nfs/dbraw/zinc/74/53/00/604745300.db2.gz UNHWYNZKQSGMLY-IJLUTSLNSA-N -1 0 352.387 -0.012 20 0 FBADRM C[C@@H](C(=O)N1CCC(O)(C(=O)[O-])CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000833404730 604744987 /nfs/dbraw/zinc/74/49/87/604744987.db2.gz UNHWYNZKQSGMLY-SDDRHHMPSA-N -1 0 352.387 -0.012 20 0 FBADRM C[C@H](C(=O)N1CCC(O)(C(=O)[O-])CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000833404732 604745308 /nfs/dbraw/zinc/74/53/08/604745308.db2.gz UNHWYNZKQSGMLY-UTUOFQBUSA-N -1 0 352.387 -0.012 20 0 FBADRM C[C@H](C(=O)N1CCC(O)(C(=O)[O-])CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000833404734 604744814 /nfs/dbraw/zinc/74/48/14/604744814.db2.gz UNHWYNZKQSGMLY-WOPDTQHZSA-N -1 0 352.387 -0.012 20 0 FBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC000833404815 604789043 /nfs/dbraw/zinc/78/90/43/604789043.db2.gz UVBNNXBUAYEXEU-GFCCVEGCSA-N -1 0 361.402 -0.057 20 0 FBADRM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC000833404818 604789071 /nfs/dbraw/zinc/78/90/71/604789071.db2.gz UVBNNXBUAYEXEU-LBPRGKRZSA-N -1 0 361.402 -0.057 20 0 FBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000833405204 604621174 /nfs/dbraw/zinc/62/11/74/604621174.db2.gz VBSWTCWEUKQRSY-GFCCVEGCSA-N -1 0 366.393 -0.029 20 0 FBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000833405206 604620955 /nfs/dbraw/zinc/62/09/55/604620955.db2.gz VBSWTCWEUKQRSY-LBPRGKRZSA-N -1 0 366.393 -0.029 20 0 FBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000833405924 605134156 /nfs/dbraw/zinc/13/41/56/605134156.db2.gz ZGCQNBAWTZIIAQ-AAEUAGOBSA-N -1 0 361.464 -0.098 20 0 FBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000833405926 605134130 /nfs/dbraw/zinc/13/41/30/605134130.db2.gz ZGCQNBAWTZIIAQ-DGCLKSJQSA-N -1 0 361.464 -0.098 20 0 FBADRM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000833405928 605134050 /nfs/dbraw/zinc/13/40/50/605134050.db2.gz ZGCQNBAWTZIIAQ-WCQYABFASA-N -1 0 361.464 -0.098 20 0 FBADRM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000833405929 605134446 /nfs/dbraw/zinc/13/44/46/605134446.db2.gz ZGCQNBAWTZIIAQ-YPMHNXCESA-N -1 0 361.464 -0.098 20 0 FBADRM C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC(O)(C(=O)[O-])CC1 ZINC000833408746 604724501 /nfs/dbraw/zinc/72/45/01/604724501.db2.gz IWOCFULHXWBAPW-JTQLQIEISA-N -1 0 371.415 -0.428 20 0 FBADRM C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC(O)(C(=O)[O-])CC1 ZINC000833408747 604724429 /nfs/dbraw/zinc/72/44/29/604724429.db2.gz IWOCFULHXWBAPW-SNVBAGLBSA-N -1 0 371.415 -0.428 20 0 FBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000833409202 605027867 /nfs/dbraw/zinc/02/78/67/605027867.db2.gz IXULFFHQRLVQIQ-BDAKNGLRSA-N -1 0 359.404 -0.058 20 0 FBADRM C[C@H]([C@H](C)N(C)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)S(C)(=O)=O ZINC000833409203 605027778 /nfs/dbraw/zinc/02/77/78/605027778.db2.gz IXULFFHQRLVQIQ-DTWKUNHWSA-N -1 0 359.404 -0.058 20 0 FBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000833409204 605027804 /nfs/dbraw/zinc/02/78/04/605027804.db2.gz IXULFFHQRLVQIQ-IUCAKERBSA-N -1 0 359.404 -0.058 20 0 FBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000833409205 605027823 /nfs/dbraw/zinc/02/78/23/605027823.db2.gz IXULFFHQRLVQIQ-RKDXNWHRSA-N -1 0 359.404 -0.058 20 0 FBADRM C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC(O)(C(=O)[O-])CC1 ZINC000833410260 604728350 /nfs/dbraw/zinc/72/83/50/604728350.db2.gz WISVOBFKVQSBKB-JTQLQIEISA-N -1 0 371.415 -0.428 20 0 FBADRM C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC(O)(C(=O)[O-])CC1 ZINC000833410261 604728452 /nfs/dbraw/zinc/72/84/52/604728452.db2.gz WISVOBFKVQSBKB-SNVBAGLBSA-N -1 0 371.415 -0.428 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000833410519 604918984 /nfs/dbraw/zinc/91/89/84/604918984.db2.gz XYMLALLKBVVALP-BDAKNGLRSA-N -1 0 370.431 -0.871 20 0 FBADRM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCSC[C@H]1CC(=O)[O-] ZINC000833410527 604918537 /nfs/dbraw/zinc/91/85/37/604918537.db2.gz XYMLALLKBVVALP-DTWKUNHWSA-N -1 0 370.431 -0.871 20 0 FBADRM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000833410530 604918847 /nfs/dbraw/zinc/91/88/47/604918847.db2.gz XYMLALLKBVVALP-IUCAKERBSA-N -1 0 370.431 -0.871 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCSC[C@H]1CC(=O)[O-] ZINC000833410534 604918686 /nfs/dbraw/zinc/91/86/86/604918686.db2.gz XYMLALLKBVVALP-RKDXNWHRSA-N -1 0 370.431 -0.871 20 0 FBADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)C1 ZINC000833413757 605001819 /nfs/dbraw/zinc/00/18/19/605001819.db2.gz HGDGKFFKUMNZND-JTQLQIEISA-N -1 0 358.420 -0.120 20 0 FBADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)C1 ZINC000833413760 605001711 /nfs/dbraw/zinc/00/17/11/605001711.db2.gz HGDGKFFKUMNZND-SNVBAGLBSA-N -1 0 358.420 -0.120 20 0 FBADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C1 ZINC000833414914 604915636 /nfs/dbraw/zinc/91/56/36/604915636.db2.gz PGOKHKXCYIAAEZ-JTQLQIEISA-N -1 0 365.390 -0.344 20 0 FBADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C1 ZINC000833414916 604915318 /nfs/dbraw/zinc/91/53/18/604915318.db2.gz PGOKHKXCYIAAEZ-SNVBAGLBSA-N -1 0 365.390 -0.344 20 0 FBADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C(=O)NCCC(=O)NC(N)=O)cc1 ZINC000833417956 605035124 /nfs/dbraw/zinc/03/51/24/605035124.db2.gz DEDNLJFLHLXOCF-UHFFFAOYSA-N -1 0 364.358 -0.312 20 0 FBADRM CC(C)(C(N)=O)N1CCN(C(=O)C(=O)Nc2sccc2C(=O)[O-])CC1 ZINC000833418129 605034247 /nfs/dbraw/zinc/03/42/47/605034247.db2.gz DXPNJLNNYSSBFF-UHFFFAOYSA-N -1 0 368.415 -0.207 20 0 FBADRM CC(C)(C(N)=O)N1CCN(S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC000833418434 605042916 /nfs/dbraw/zinc/04/29/16/605042916.db2.gz HEBZUOZYFBRZKX-UHFFFAOYSA-N -1 0 362.433 -0.589 20 0 FBADRM CC(C)(C(N)=O)N1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000833418700 605034244 /nfs/dbraw/zinc/03/42/44/605034244.db2.gz LZSDLKRZUFJYPT-UHFFFAOYSA-N -1 0 362.386 -0.269 20 0 FBADRM CC(C)(C(N)=O)N1CCN(C(=O)C(=O)Nc2ccsc2C(=O)[O-])CC1 ZINC000833418740 605478832 /nfs/dbraw/zinc/47/88/32/605478832.db2.gz MWJSWYFJUIOQCF-UHFFFAOYSA-N -1 0 368.415 -0.207 20 0 FBADRM CC(C)(C(N)=O)N1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000833418832 605034279 /nfs/dbraw/zinc/03/42/79/605034279.db2.gz OQORZTAKEJQAIL-UHFFFAOYSA-N -1 0 368.415 -0.207 20 0 FBADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C(=O)NCCS(N)(=O)=O)cc1 ZINC000833419230 605120995 /nfs/dbraw/zinc/12/09/95/605120995.db2.gz PCSNSJGNPOULAE-UHFFFAOYSA-N -1 0 357.388 -0.608 20 0 FBADRM CC(C)(C(N)=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000833419355 604697553 /nfs/dbraw/zinc/69/75/53/604697553.db2.gz RNLRKONMHILGST-UHFFFAOYSA-N -1 0 356.404 -0.650 20 0 FBADRM CC(C)(C(N)=O)N1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000833419394 605034120 /nfs/dbraw/zinc/03/41/20/605034120.db2.gz SYBPPFHHTXXJNU-UHFFFAOYSA-N -1 0 362.386 -0.269 20 0 FBADRM CC(C)(C)C(=O)Cn1cc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)nn1 ZINC000833419758 605541595 /nfs/dbraw/zinc/54/15/95/605541595.db2.gz VOIDWLPNLOETBG-UHFFFAOYSA-N -1 0 361.362 -0.120 20 0 FBADRM CC(C)(C(N)=O)N1CCN(S(=O)(=O)c2ccccc2C(=O)[O-])CC1 ZINC000833419819 605042774 /nfs/dbraw/zinc/04/27/74/605042774.db2.gz XLGZQRLQLYTUAU-UHFFFAOYSA-N -1 0 355.416 -0.045 20 0 FBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833424366 604900557 /nfs/dbraw/zinc/90/05/57/604900557.db2.gz HLXGYWZWJYGAQJ-GHMZBOCLSA-N -1 0 350.437 -0.366 20 0 FBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833424370 604900732 /nfs/dbraw/zinc/90/07/32/604900732.db2.gz HLXGYWZWJYGAQJ-MNOVXSKESA-N -1 0 350.437 -0.366 20 0 FBADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833424373 604900548 /nfs/dbraw/zinc/90/05/48/604900548.db2.gz HLXGYWZWJYGAQJ-QWRGUYRKSA-N -1 0 350.437 -0.366 20 0 FBADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833424376 604900497 /nfs/dbraw/zinc/90/04/97/604900497.db2.gz HLXGYWZWJYGAQJ-WDEREUQCSA-N -1 0 350.437 -0.366 20 0 FBADRM CC(C)(C)NS(=O)(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833430379 605193908 /nfs/dbraw/zinc/19/39/08/605193908.db2.gz AXXFSOSHADCHNS-UHFFFAOYSA-N -1 0 354.406 -0.026 20 0 FBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833430523 604889693 /nfs/dbraw/zinc/88/96/93/604889693.db2.gz FMZWQYPWZABXSR-LLVKDONJSA-N -1 0 365.452 -0.429 20 0 FBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833430527 604889972 /nfs/dbraw/zinc/88/99/72/604889972.db2.gz FMZWQYPWZABXSR-NSHDSACASA-N -1 0 365.452 -0.429 20 0 FBADRM CC(C)(C)NS(=O)(=O)CCNS(=O)(=O)c1csnc1C(=O)[O-] ZINC000833430541 605016234 /nfs/dbraw/zinc/01/62/34/605016234.db2.gz GJNKPQVAOOGVGN-UHFFFAOYSA-N -1 0 371.462 -0.163 20 0 FBADRM CC(C)(C)NS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833430720 604688833 /nfs/dbraw/zinc/68/88/33/604688833.db2.gz HJWKLRHQGPUOQV-UHFFFAOYSA-N -1 0 365.433 -0.224 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000833433211 604746747 /nfs/dbraw/zinc/74/67/47/604746747.db2.gz VLHOMKPBOPODLF-GHMZBOCLSA-N -1 0 358.391 -0.205 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000833433213 604747971 /nfs/dbraw/zinc/74/79/71/604747971.db2.gz VLHOMKPBOPODLF-MNOVXSKESA-N -1 0 358.391 -0.205 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000833433215 604747912 /nfs/dbraw/zinc/74/79/12/604747912.db2.gz VLHOMKPBOPODLF-QWRGUYRKSA-N -1 0 358.391 -0.205 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000833433217 604748001 /nfs/dbraw/zinc/74/80/01/604748001.db2.gz VLHOMKPBOPODLF-WDEREUQCSA-N -1 0 358.391 -0.205 20 0 FBADRM CC(C)(C)OC(=O)CNC(=O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000833434319 605335017 /nfs/dbraw/zinc/33/50/17/605335017.db2.gz VGBRVRRZMJLHNZ-UHFFFAOYSA-N -1 0 365.346 -0.865 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000833437607 604747842 /nfs/dbraw/zinc/74/78/42/604747842.db2.gz CSZGMATVKQUWGY-UHFFFAOYSA-N -1 0 359.379 -0.935 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000833437617 605212626 /nfs/dbraw/zinc/21/26/26/605212626.db2.gz DDWYAPCQFXTHQW-UHFFFAOYSA-N -1 0 356.339 -0.989 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H](C(=O)[O-])c1ccccn1 ZINC000833437622 605214874 /nfs/dbraw/zinc/21/48/74/605214874.db2.gz DKHWPNNDQKQFIF-CYBMUJFWSA-N -1 0 366.374 -0.036 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccn1 ZINC000833437623 605215011 /nfs/dbraw/zinc/21/50/11/605215011.db2.gz DKHWPNNDQKQFIF-ZDUSSCGKSA-N -1 0 366.374 -0.036 20 0 FBADRM CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000833437888 604947767 /nfs/dbraw/zinc/94/77/67/604947767.db2.gz JOAAMRINPINPDM-NXEZZACHSA-N -1 0 359.379 -0.543 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000833437891 604948018 /nfs/dbraw/zinc/94/80/18/604948018.db2.gz JOAAMRINPINPDM-UWVGGRQHSA-N -1 0 359.379 -0.543 20 0 FBADRM CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000833437894 604947722 /nfs/dbraw/zinc/94/77/22/604947722.db2.gz JOAAMRINPINPDM-VHSXEESVSA-N -1 0 359.379 -0.543 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000833437897 604947640 /nfs/dbraw/zinc/94/76/40/604947640.db2.gz JOAAMRINPINPDM-ZJUUUORDSA-N -1 0 359.379 -0.543 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000833438315 605189018 /nfs/dbraw/zinc/18/90/18/605189018.db2.gz HRXRRKFQCXWUAO-UHFFFAOYSA-N -1 0 355.351 -0.453 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833438375 605216841 /nfs/dbraw/zinc/21/68/41/605216841.db2.gz ILYGOXIVVYTNBM-CYBMUJFWSA-N -1 0 373.406 -0.689 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833438382 605216720 /nfs/dbraw/zinc/21/67/20/605216720.db2.gz ILYGOXIVVYTNBM-ZDUSSCGKSA-N -1 0 373.406 -0.689 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000833438574 605155898 /nfs/dbraw/zinc/15/58/98/605155898.db2.gz KNYGSYJFEAJBCU-UHFFFAOYSA-N -1 0 358.395 -0.114 20 0 FBADRM CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000833439134 604737968 /nfs/dbraw/zinc/73/79/68/604737968.db2.gz UHJNBTUZBLXUPZ-MRVPVSSYSA-N -1 0 355.351 -0.325 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000833439161 604737942 /nfs/dbraw/zinc/73/79/42/604737942.db2.gz UHJNBTUZBLXUPZ-QMMMGPOBSA-N -1 0 355.351 -0.325 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000833439280 605191065 /nfs/dbraw/zinc/19/10/65/605191065.db2.gz PVTRSAQYGIQRKF-JTQLQIEISA-N -1 0 359.379 -0.671 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000833439281 605191033 /nfs/dbraw/zinc/19/10/33/605191033.db2.gz PVTRSAQYGIQRKF-SNVBAGLBSA-N -1 0 359.379 -0.671 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000833439305 605155573 /nfs/dbraw/zinc/15/55/73/605155573.db2.gz QLKNMDFIQCJCKH-JTQLQIEISA-N -1 0 358.395 -0.114 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000833439306 605155639 /nfs/dbraw/zinc/15/56/39/605155639.db2.gz QLKNMDFIQCJCKH-SNVBAGLBSA-N -1 0 358.395 -0.114 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000833439318 605198544 /nfs/dbraw/zinc/19/85/44/605198544.db2.gz QVBRTGSAIVCPDO-UHFFFAOYSA-N -1 0 355.351 -0.453 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000833439337 605193514 /nfs/dbraw/zinc/19/35/14/605193514.db2.gz RCCBILJBNLFYHB-AWEZNQCLSA-N -1 0 361.420 -0.296 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000833439341 605193492 /nfs/dbraw/zinc/19/34/92/605193492.db2.gz RCCBILJBNLFYHB-CQSZACIVSA-N -1 0 361.420 -0.296 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000833439348 605163754 /nfs/dbraw/zinc/16/37/54/605163754.db2.gz RJDXMCNAKYDUIY-UHFFFAOYSA-N -1 0 373.406 -0.233 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000833439435 605135931 /nfs/dbraw/zinc/13/59/31/605135931.db2.gz WSFAIIICFYNTJH-JTQLQIEISA-N -1 0 373.406 -0.247 20 0 FBADRM CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000833439436 605136045 /nfs/dbraw/zinc/13/60/45/605136045.db2.gz WSFAIIICFYNTJH-SNVBAGLBSA-N -1 0 373.406 -0.247 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833439678 604793890 /nfs/dbraw/zinc/79/38/90/604793890.db2.gz ZFPDQNFADCBBSG-CMPLNLGQSA-N -1 0 373.406 -0.561 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833439681 604794048 /nfs/dbraw/zinc/79/40/48/604794048.db2.gz ZFPDQNFADCBBSG-JQWIXIFHSA-N -1 0 373.406 -0.561 20 0 FBADRM CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833439684 604793825 /nfs/dbraw/zinc/79/38/25/604793825.db2.gz ZFPDQNFADCBBSG-PWSUYJOCSA-N -1 0 373.406 -0.561 20 0 FBADRM CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833439686 604793750 /nfs/dbraw/zinc/79/37/50/604793750.db2.gz ZFPDQNFADCBBSG-ZYHUDNBSSA-N -1 0 373.406 -0.561 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000833439768 605135921 /nfs/dbraw/zinc/13/59/21/605135921.db2.gz YHGYWOWRXCOOEQ-UHFFFAOYSA-N -1 0 373.406 -0.375 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000833439793 605215346 /nfs/dbraw/zinc/21/53/46/605215346.db2.gz ZLURGEHHVJSKAD-UHFFFAOYSA-N -1 0 373.406 -0.281 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(C(C)(C)C(=O)NC[C@H](O)C(=O)[O-])CC1 ZINC000833440747 605468772 /nfs/dbraw/zinc/46/87/72/605468772.db2.gz DLOKJMUTOSXOSA-NSHDSACASA-N -1 0 359.423 -0.121 20 0 FBADRM CC(C)(C)OC(=O)NCCOCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000833442670 605534756 /nfs/dbraw/zinc/53/47/56/605534756.db2.gz JTRCPVDOSHDSIB-UHFFFAOYSA-N -1 0 369.378 -0.099 20 0 FBADRM CC(C)(C)S(=O)(=O)CC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000833446649 604474008 /nfs/dbraw/zinc/47/40/08/604474008.db2.gz FPJLNLYSTTXBRM-UHFFFAOYSA-N -1 0 350.437 -0.555 20 0 FBADRM CC(C)(CC(=O)[O-])CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000833451016 605097053 /nfs/dbraw/zinc/09/70/53/605097053.db2.gz CIGZMQUFNQOEDY-UHFFFAOYSA-N -1 0 355.435 -0.120 20 0 FBADRM CC(C)(CC(=O)[O-])CC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000833451380 605099269 /nfs/dbraw/zinc/09/92/69/605099269.db2.gz GVUGZMAOHAQRTN-UHFFFAOYSA-N -1 0 355.435 -0.120 20 0 FBADRM CC(C)(CC(=O)[O-])CC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000833451408 605255256 /nfs/dbraw/zinc/25/52/56/605255256.db2.gz HZXUKQPKZAGQDJ-UHFFFAOYSA-N -1 0 367.402 -0.303 20 0 FBADRM CC(C)(CC(=O)[O-])CC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000833451805 605221051 /nfs/dbraw/zinc/22/10/51/605221051.db2.gz NESZIBMOFAMKJJ-UHFFFAOYSA-N -1 0 369.418 -0.593 20 0 FBADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000833452469 605708147 /nfs/dbraw/zinc/70/81/47/605708147.db2.gz HWJVGSUENOONIY-CYBMUJFWSA-N -1 0 355.435 -0.073 20 0 FBADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000833452470 605708061 /nfs/dbraw/zinc/70/80/61/605708061.db2.gz HWJVGSUENOONIY-ZDUSSCGKSA-N -1 0 355.435 -0.073 20 0 FBADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000833454520 605106039 /nfs/dbraw/zinc/10/60/39/605106039.db2.gz JZDYNGZEMBOTHB-NEPJUHHUSA-N -1 0 362.448 -0.509 20 0 FBADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000833454526 605106230 /nfs/dbraw/zinc/10/62/30/605106230.db2.gz JZDYNGZEMBOTHB-NWDGAFQWSA-N -1 0 362.448 -0.509 20 0 FBADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000833454533 605106194 /nfs/dbraw/zinc/10/61/94/605106194.db2.gz JZDYNGZEMBOTHB-RYUDHWBXSA-N -1 0 362.448 -0.509 20 0 FBADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000833454540 605106161 /nfs/dbraw/zinc/10/61/61/605106161.db2.gz JZDYNGZEMBOTHB-VXGBXAGGSA-N -1 0 362.448 -0.509 20 0 FBADRM CC(C)(CNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1)NS(C)(=O)=O ZINC000833457497 604891908 /nfs/dbraw/zinc/89/19/08/604891908.db2.gz JJRHIXZPMRMAHW-JTQLQIEISA-N -1 0 351.425 -0.819 20 0 FBADRM CC(C)(CNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)NS(C)(=O)=O ZINC000833457498 604891977 /nfs/dbraw/zinc/89/19/77/604891977.db2.gz JJRHIXZPMRMAHW-SNVBAGLBSA-N -1 0 351.425 -0.819 20 0 FBADRM CC(C)(CNC(=O)CN1CCC([C@H](O)C(=O)[O-])CC1)N1CCOCC1 ZINC000833457871 604977615 /nfs/dbraw/zinc/97/76/15/604977615.db2.gz ZEYWBVHSNSAXLF-HNNXBMFYSA-N -1 0 357.451 -0.629 20 0 FBADRM CC(C)(CNC(=O)CN1CCC([C@@H](O)C(=O)[O-])CC1)N1CCOCC1 ZINC000833457872 604977411 /nfs/dbraw/zinc/97/74/11/604977411.db2.gz ZEYWBVHSNSAXLF-OAHLLOKOSA-N -1 0 357.451 -0.629 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)C(=O)[O-] ZINC000833457956 604862665 /nfs/dbraw/zinc/86/26/65/604862665.db2.gz FQRAITIAWJWADL-UHFFFAOYSA-N -1 0 367.406 -0.619 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1ccsc1C(=O)[O-])NS(C)(=O)=O ZINC000833458047 605465629 /nfs/dbraw/zinc/46/56/29/605465629.db2.gz KEZDABIHCWQRBX-UHFFFAOYSA-N -1 0 363.417 -0.171 20 0 FBADRM CC(C)(CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)C(=O)[O-] ZINC000833458912 604862784 /nfs/dbraw/zinc/86/27/84/604862784.db2.gz ZENBSIRFFHLNEO-UHFFFAOYSA-N -1 0 367.406 -0.619 20 0 FBADRM CC(C)(NS(C)(=O)=O)C(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC000833460651 604956945 /nfs/dbraw/zinc/95/69/45/604956945.db2.gz KTLUJZGEHGHQSK-UHFFFAOYSA-N -1 0 371.419 -0.849 20 0 FBADRM CC(C)(NC(=O)[O-])C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000833460886 605543543 /nfs/dbraw/zinc/54/35/43/605543543.db2.gz IEFULMGSFKHYQX-LLVKDONJSA-N -1 0 363.436 -0.314 20 0 FBADRM CC(C)(NC(=O)[O-])C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000833460887 605543407 /nfs/dbraw/zinc/54/34/07/605543407.db2.gz IEFULMGSFKHYQX-NSHDSACASA-N -1 0 363.436 -0.314 20 0 FBADRM CC(C)(CO)CNC(=O)C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000833462046 605032792 /nfs/dbraw/zinc/03/27/92/605032792.db2.gz UAGGQJMRPFUTIK-UHFFFAOYSA-N -1 0 372.399 -0.139 20 0 FBADRM CC(C)C(=O)N1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1 ZINC000833464013 605025472 /nfs/dbraw/zinc/02/54/72/605025472.db2.gz WKAYWSZJBCXQAY-UHFFFAOYSA-N -1 0 350.375 -0.011 20 0 FBADRM CC(C)[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])N1CCCS1(=O)=O ZINC000833466145 604778954 /nfs/dbraw/zinc/77/89/54/604778954.db2.gz UBSLXXLKJXWCPA-NWDGAFQWSA-N -1 0 358.420 -0.418 20 0 FBADRM CC(C)[C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])N1CCCS1(=O)=O ZINC000833466146 604778978 /nfs/dbraw/zinc/77/89/78/604778978.db2.gz UBSLXXLKJXWCPA-RYUDHWBXSA-N -1 0 358.420 -0.418 20 0 FBADRM CC(C)[C@H](C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)N1CCCS1(=O)=O ZINC000833467527 604907486 /nfs/dbraw/zinc/90/74/86/604907486.db2.gz XPDHSOKHYGIABT-CHWSQXEVSA-N -1 0 362.448 -0.269 20 0 FBADRM CC(C)[C@H](C(=O)N1CCC([C@H](O)C(=O)[O-])CC1)N1CCCS1(=O)=O ZINC000833467528 604907637 /nfs/dbraw/zinc/90/76/37/604907637.db2.gz XPDHSOKHYGIABT-OLZOCXBDSA-N -1 0 362.448 -0.269 20 0 FBADRM CC(C)[C@@H](C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)N1CCCS1(=O)=O ZINC000833467529 604907341 /nfs/dbraw/zinc/90/73/41/604907341.db2.gz XPDHSOKHYGIABT-QWHCGFSZSA-N -1 0 362.448 -0.269 20 0 FBADRM CC(C)[C@@H](C(=O)N1CCC([C@H](O)C(=O)[O-])CC1)N1CCCS1(=O)=O ZINC000833467530 604907537 /nfs/dbraw/zinc/90/75/37/604907537.db2.gz XPDHSOKHYGIABT-STQMWFEESA-N -1 0 362.448 -0.269 20 0 FBADRM CC(C)[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])c1nc(-c2nc[nH]n2)no1 ZINC000833469901 605078234 /nfs/dbraw/zinc/07/82/34/605078234.db2.gz DQSRFVZHDRXJTJ-SECBINFHSA-N -1 0 373.395 -0.207 20 0 FBADRM CC(C)[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])c1nc(-c2nc[nH]n2)no1 ZINC000833469902 605078292 /nfs/dbraw/zinc/07/82/92/605078292.db2.gz DQSRFVZHDRXJTJ-VIFPVBQESA-N -1 0 373.395 -0.207 20 0 FBADRM CC(C)[C@@H](OC(=O)c1cc(C(=O)[O-])no1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000833471119 605822851 /nfs/dbraw/zinc/82/28/51/605822851.db2.gz FFLKSDAUFZJIPC-GZMMTYOYSA-N -1 0 374.371 -0.143 20 0 FBADRM CC(C)[C@H](OC(=O)c1cc(C(=O)[O-])no1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000833471120 605822516 /nfs/dbraw/zinc/82/25/16/605822516.db2.gz FFLKSDAUFZJIPC-KCJUWKMLSA-N -1 0 374.371 -0.143 20 0 FBADRM CC(C)[C@H](OC(=O)c1cc(C(=O)[O-])no1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000833471122 605822870 /nfs/dbraw/zinc/82/28/70/605822870.db2.gz FFLKSDAUFZJIPC-KWQFWETISA-N -1 0 374.371 -0.143 20 0 FBADRM CC(C)[C@@H](OC(=O)c1cc(C(=O)[O-])no1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000833471124 605822718 /nfs/dbraw/zinc/82/27/18/605822718.db2.gz FFLKSDAUFZJIPC-LDYMZIIASA-N -1 0 374.371 -0.143 20 0 FBADRM CC(C)[C@@H](OC(=O)Cn1ncn(C)c1=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000833471355 605819817 /nfs/dbraw/zinc/81/98/17/605819817.db2.gz GFOVDXBRQBKROS-CYBMUJFWSA-N -1 0 368.390 -0.527 20 0 FBADRM CC(C)[C@H](OC(=O)Cn1ncn(C)c1=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000833471357 605819789 /nfs/dbraw/zinc/81/97/89/605819789.db2.gz GFOVDXBRQBKROS-ZDUSSCGKSA-N -1 0 368.390 -0.527 20 0 FBADRM CC(C)[C@H](OC(=O)[C@H](C)NC(=O)[O-])C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000833473568 604956925 /nfs/dbraw/zinc/95/69/25/604956925.db2.gz SPFVHERJMPCYFG-BHDSKKPTSA-N -1 0 364.420 -0.096 20 0 FBADRM CC(C)[C@@H](OC(=O)[C@H](C)NC(=O)[O-])C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000833473569 604956708 /nfs/dbraw/zinc/95/67/08/604956708.db2.gz SPFVHERJMPCYFG-IMSIIYSGSA-N -1 0 364.420 -0.096 20 0 FBADRM CC(C)[C@H](OC(=O)[C@H](C)NC(=O)[O-])C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000833473570 604956774 /nfs/dbraw/zinc/95/67/74/604956774.db2.gz SPFVHERJMPCYFG-PKFCDNJMSA-N -1 0 364.420 -0.096 20 0 FBADRM CC(C)[C@@H](OC(=O)[C@H](C)NC(=O)[O-])C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000833473571 604956882 /nfs/dbraw/zinc/95/68/82/604956882.db2.gz SPFVHERJMPCYFG-RBZYPMLTSA-N -1 0 364.420 -0.096 20 0 FBADRM CC(C)[C@H](OC(=O)[C@H](C)NC(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000833474075 604956694 /nfs/dbraw/zinc/95/66/94/604956694.db2.gz WICFDFHCSIMNEF-AEJSXWLSSA-N -1 0 350.393 -0.486 20 0 FBADRM CC(C)[C@H](OC(=O)[C@H](C)NC(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000833474076 604956849 /nfs/dbraw/zinc/95/68/49/604956849.db2.gz WICFDFHCSIMNEF-GUBZILKMSA-N -1 0 350.393 -0.486 20 0 FBADRM CC(C)[C@@H](OC(=O)[C@H](C)NC(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000833474078 604956993 /nfs/dbraw/zinc/95/69/93/604956993.db2.gz WICFDFHCSIMNEF-IVZWLZJFSA-N -1 0 350.393 -0.486 20 0 FBADRM CC(C)[C@@H](OC(=O)[C@H](C)NC(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000833474080 604956690 /nfs/dbraw/zinc/95/66/90/604956690.db2.gz WICFDFHCSIMNEF-LPEHRKFASA-N -1 0 350.393 -0.486 20 0 FBADRM CC(C)C[C@H](C(=O)NC[C@H](O)C(=O)[O-])N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000833474637 605024379 /nfs/dbraw/zinc/02/43/79/605024379.db2.gz ROHBRAMPDCQSKN-LPWJVIDDSA-N -1 0 352.387 -0.086 20 0 FBADRM CC(C)C[C@@H](C(=O)NC[C@H](O)C(=O)[O-])N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000833474638 605024547 /nfs/dbraw/zinc/02/45/47/605024547.db2.gz ROHBRAMPDCQSKN-RNJOBUHISA-N -1 0 352.387 -0.086 20 0 FBADRM CC(C)C[C@H](C(=O)NC[C@H](O)C(=O)[O-])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000833474639 605024471 /nfs/dbraw/zinc/02/44/71/605024471.db2.gz ROHBRAMPDCQSKN-RVMXOQNASA-N -1 0 352.387 -0.086 20 0 FBADRM CC(C)C[C@H](C(=O)NC[C@H](O)C(=O)[O-])N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000833474640 605024546 /nfs/dbraw/zinc/02/45/46/605024546.db2.gz ROHBRAMPDCQSKN-XQHKEYJVSA-N -1 0 352.387 -0.086 20 0 FBADRM CC(C)C[C@@H](NC(=O)CN1CCC2(CC1)NC(=O)N(C)C2=O)C(=O)[O-] ZINC000833476225 604933607 /nfs/dbraw/zinc/93/36/07/604933607.db2.gz BDYLSGZLLKYUGY-LLVKDONJSA-N -1 0 354.407 -0.382 20 0 FBADRM CC(C)C[C@H](NC(=O)CN1CCC2(CC1)NC(=O)N(C)C2=O)C(=O)[O-] ZINC000833476227 604933445 /nfs/dbraw/zinc/93/34/45/604933445.db2.gz BDYLSGZLLKYUGY-NSHDSACASA-N -1 0 354.407 -0.382 20 0 FBADRM CC(C)C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000833478733 604541807 /nfs/dbraw/zinc/54/18/07/604541807.db2.gz VIMXSFFNLGZAMX-BDJLRTHQSA-N -1 0 365.390 -0.197 20 0 FBADRM CC(C)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000833478734 604541534 /nfs/dbraw/zinc/54/15/34/604541534.db2.gz VIMXSFFNLGZAMX-BZNIZROVSA-N -1 0 365.390 -0.197 20 0 FBADRM CC(C)C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000833478735 604541588 /nfs/dbraw/zinc/54/15/88/604541588.db2.gz VIMXSFFNLGZAMX-MEDUHNTESA-N -1 0 365.390 -0.197 20 0 FBADRM CC(C)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000833478736 604541817 /nfs/dbraw/zinc/54/18/17/604541817.db2.gz VIMXSFFNLGZAMX-ZBEGNZNMSA-N -1 0 365.390 -0.197 20 0 FBADRM CC(C)C[C@@H](NC(=O)COC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000833480485 604708968 /nfs/dbraw/zinc/70/89/68/604708968.db2.gz IIACHMIFYHEQEB-LLVKDONJSA-N -1 0 373.387 -0.499 20 0 FBADRM CC(C)C[C@H](NC(=O)COC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)[O-] ZINC000833480486 604709149 /nfs/dbraw/zinc/70/91/49/604709149.db2.gz IIACHMIFYHEQEB-NSHDSACASA-N -1 0 373.387 -0.499 20 0 FBADRM CC(C)C[C@@H](NC(=O)COC(=O)c1coc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000833482544 604656950 /nfs/dbraw/zinc/65/69/50/604656950.db2.gz QOLUPXKVKWGPOQ-SECBINFHSA-N -1 0 362.360 -0.301 20 0 FBADRM CC(C)C[C@H](NC(=O)COC(=O)c1coc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000833482545 604656891 /nfs/dbraw/zinc/65/68/91/604656891.db2.gz QOLUPXKVKWGPOQ-VIFPVBQESA-N -1 0 362.360 -0.301 20 0 FBADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)OCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000833482776 605503387 /nfs/dbraw/zinc/50/33/87/605503387.db2.gz HNEQMCSUNQFYJD-MRVPVSSYSA-N -1 0 367.362 -0.314 20 0 FBADRM CC(C)C[C@H](NC(=O)[O-])C(=O)OCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000833482777 605503337 /nfs/dbraw/zinc/50/33/37/605503337.db2.gz HNEQMCSUNQFYJD-QMMMGPOBSA-N -1 0 367.362 -0.314 20 0 FBADRM CC(C)C[C@H](NC(=O)COC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC000833483165 605017368 /nfs/dbraw/zinc/01/73/68/605017368.db2.gz WDOOBYUZHRJVCN-JTQLQIEISA-N -1 0 373.387 -0.499 20 0 FBADRM CC(C)C[C@@H](NC(=O)COC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)[O-] ZINC000833483166 605017553 /nfs/dbraw/zinc/01/75/53/605017553.db2.gz WDOOBYUZHRJVCN-SNVBAGLBSA-N -1 0 373.387 -0.499 20 0 FBADRM CC(C)CN(C(=O)COC(=O)[C@H](C)NC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000833485157 604958205 /nfs/dbraw/zinc/95/82/05/604958205.db2.gz BKIHMHIVGYYYPN-QWRGUYRKSA-N -1 0 364.420 -0.143 20 0 FBADRM CC(C)CN(C(=O)COC(=O)[C@H](C)NC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000833485158 604958415 /nfs/dbraw/zinc/95/84/15/604958415.db2.gz BKIHMHIVGYYYPN-WDEREUQCSA-N -1 0 364.420 -0.143 20 0 FBADRM CC(C)CN(C(=O)CN[C@@]1(C(=O)[O-])CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000833485224 604486410 /nfs/dbraw/zinc/48/64/10/604486410.db2.gz HXSIQZJWDUMLGG-DOMZBBRYSA-N -1 0 362.448 -0.509 20 0 FBADRM CC(C)CN(C(=O)CN[C@]1(C(=O)[O-])CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000833485225 604486242 /nfs/dbraw/zinc/48/62/42/604486242.db2.gz HXSIQZJWDUMLGG-IUODEOHRSA-N -1 0 362.448 -0.509 20 0 FBADRM CC(C)CN(C(=O)CN[C@]1(C(=O)[O-])CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000833485226 604486740 /nfs/dbraw/zinc/48/67/40/604486740.db2.gz HXSIQZJWDUMLGG-SWLSCSKDSA-N -1 0 362.448 -0.509 20 0 FBADRM CC(C)CN(C(=O)CN[C@@]1(C(=O)[O-])CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000833485227 604486784 /nfs/dbraw/zinc/48/67/84/604486784.db2.gz HXSIQZJWDUMLGG-WFASDCNBSA-N -1 0 362.448 -0.509 20 0 FBADRM CC(C)C[C@H](NC(=O)CNC(=O)CCC(=O)N1CCOCC1)C(=O)[O-] ZINC000833491005 605273726 /nfs/dbraw/zinc/27/37/26/605273726.db2.gz QPPZKSYJEUZTIS-LBPRGKRZSA-N -1 0 357.407 -0.643 20 0 FBADRM CC(C)C[C@H](NC(=O)CNC(=O)C1(N2CCOCC2)CCC1)C(=O)[O-] ZINC000833491053 605243976 /nfs/dbraw/zinc/24/39/76/605243976.db2.gz XQYTYWCOHGFZDZ-ZDUSSCGKSA-N -1 0 355.435 -0.027 20 0 FBADRM CC(C)Cc1cc(NC(=O)C(=O)N2CCC(O)(C(=O)[O-])CC2)n(C)n1 ZINC000833491241 604737749 /nfs/dbraw/zinc/73/77/49/604737749.db2.gz OYIHFVXWLVQYKT-UHFFFAOYSA-N -1 0 352.391 -0.005 20 0 FBADRM CC(C)CS(=O)(=O)N1CCC(NC(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000833491795 605237140 /nfs/dbraw/zinc/23/71/40/605237140.db2.gz GHTRMQZFNLEIMV-UHFFFAOYSA-N -1 0 373.435 -0.457 20 0 FBADRM CC(C)C[C@H](NC(=O)CNS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-] ZINC000833492087 605210339 /nfs/dbraw/zinc/21/03/39/605210339.db2.gz GJYOHIYSACCIMX-LBPRGKRZSA-N -1 0 365.452 -0.453 20 0 FBADRM CC(C)C[C@H](NC(=O)CNS(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-] ZINC000833492636 605210250 /nfs/dbraw/zinc/21/02/50/605210250.db2.gz LVMAXXYAWJXLHN-QMMMGPOBSA-N -1 0 366.827 -0.033 20 0 FBADRM CC(C)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000833492661 605210459 /nfs/dbraw/zinc/21/04/59/605210459.db2.gz NJNFIDWCSOJTOV-LBPRGKRZSA-N -1 0 371.415 -0.321 20 0 FBADRM CC(C)C[C@H](NC(=O)CNC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)[O-] ZINC000833492712 605248230 /nfs/dbraw/zinc/24/82/30/605248230.db2.gz PZHLYWQGURTWSK-LBPRGKRZSA-N -1 0 361.354 -0.085 20 0 FBADRM CC(C)C[C@H](NC(=O)CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000833492731 605210588 /nfs/dbraw/zinc/21/05/88/605210588.db2.gz QLUBAMJJYWWEOY-SRVKXCTJSA-N -1 0 365.452 -0.455 20 0 FBADRM CC(C)C[C@H](NC(=O)CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000833492733 605210383 /nfs/dbraw/zinc/21/03/83/605210383.db2.gz QLUBAMJJYWWEOY-TUAOUCFPSA-N -1 0 365.452 -0.455 20 0 FBADRM CC(C)C[C@H](NC(=O)CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000833492734 605210364 /nfs/dbraw/zinc/21/03/64/605210364.db2.gz QLUBAMJJYWWEOY-UTUOFQBUSA-N -1 0 365.452 -0.455 20 0 FBADRM CC(C)C[C@H](NC(=O)CNS(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-] ZINC000833492769 605210304 /nfs/dbraw/zinc/21/03/04/605210304.db2.gz RWPZKTOOFHVCEQ-QMMMGPOBSA-N -1 0 366.827 -0.033 20 0 FBADRM CC(C)CS(=O)(=O)CC(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC000833492922 604958259 /nfs/dbraw/zinc/95/82/59/604958259.db2.gz XWHYSCMFXLOXJT-UHFFFAOYSA-N -1 0 370.431 -0.106 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)COC(=O)[C@H](C)NC(=O)[O-])c(=O)n(C)c1=O ZINC000833492981 604959577 /nfs/dbraw/zinc/95/95/77/604959577.db2.gz CBAOFWZIKDIMBF-QMMMGPOBSA-N -1 0 370.362 -0.833 20 0 FBADRM CC(C)C[C@H](NC(=O)CNS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000833493308 605211189 /nfs/dbraw/zinc/21/11/89/605211189.db2.gz WAIRCWBMYZICJV-JTQLQIEISA-N -1 0 374.419 -0.982 20 0 FBADRM CC(C)C[C@H](NC(=O)CNS(=O)(=O)CC1CCOCC1)C(=O)[O-] ZINC000833493340 605211178 /nfs/dbraw/zinc/21/11/78/605211178.db2.gz XBKXKRHANQACEW-LBPRGKRZSA-N -1 0 350.437 -0.052 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN[C@@]2(C(=O)[O-])CCOC2)c(=O)[nH]c1=O ZINC000833494350 604486801 /nfs/dbraw/zinc/48/68/01/604486801.db2.gz OZRKWVJOYQUEQZ-HNNXBMFYSA-N -1 0 354.363 -0.797 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN[C@]2(C(=O)[O-])CCOC2)c(=O)[nH]c1=O ZINC000833494351 604486771 /nfs/dbraw/zinc/48/67/71/604486771.db2.gz OZRKWVJOYQUEQZ-OAHLLOKOSA-N -1 0 354.363 -0.797 20 0 FBADRM CC(C)Cn1c(N)c(C(=O)CN2CCC(O)(C(=O)[O-])CC2)c(=O)[nH]c1=O ZINC000833494409 604726291 /nfs/dbraw/zinc/72/62/91/604726291.db2.gz QGBIJSQJPHQREN-UHFFFAOYSA-N -1 0 368.390 -0.719 20 0 FBADRM CC(C)N(CCS(C)(=O)=O)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000833496627 605178667 /nfs/dbraw/zinc/17/86/67/605178667.db2.gz MDNOWFPLVIWVPP-UHFFFAOYSA-N -1 0 356.466 -0.217 20 0 FBADRM CC(C)N(CCS(C)(=O)=O)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833496943 605178830 /nfs/dbraw/zinc/17/88/30/605178830.db2.gz SKBGQALZVGXPSE-UHFFFAOYSA-N -1 0 353.422 -0.589 20 0 FBADRM CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)C1=O ZINC000833498366 605032131 /nfs/dbraw/zinc/03/21/31/605032131.db2.gz OJQSGZGHSKMEGL-SECBINFHSA-N -1 0 350.331 -0.686 20 0 FBADRM CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)C1=O ZINC000833498367 605032133 /nfs/dbraw/zinc/03/21/33/605032133.db2.gz OJQSGZGHSKMEGL-VIFPVBQESA-N -1 0 350.331 -0.686 20 0 FBADRM CC(C)N1C(=O)c2ccc(C(=O)N[C@@H](CO)C(=O)[O-])cc2S1(=O)=O ZINC000833498486 605281417 /nfs/dbraw/zinc/28/14/17/605281417.db2.gz ATJICIWCHFOHJT-JTQLQIEISA-N -1 0 356.356 -0.585 20 0 FBADRM CC(C)N1C(=O)c2ccc(C(=O)N[C@H](CO)C(=O)[O-])cc2S1(=O)=O ZINC000833498494 605269422 /nfs/dbraw/zinc/26/94/22/605269422.db2.gz ATJICIWCHFOHJT-SNVBAGLBSA-N -1 0 356.356 -0.585 20 0 FBADRM CC(C)N1C(=O)N[C@@]2(CCN(S(=O)(=O)N(C)CCC(=O)[O-])C2)C1=O ZINC000833500589 604931224 /nfs/dbraw/zinc/93/12/24/604931224.db2.gz MKSRCATXXNTGLV-CYBMUJFWSA-N -1 0 362.408 -0.958 20 0 FBADRM CC(C)N1C(=O)N[C@]2(CCN(S(=O)(=O)N(C)CCC(=O)[O-])C2)C1=O ZINC000833500596 604931641 /nfs/dbraw/zinc/93/16/41/604931641.db2.gz MKSRCATXXNTGLV-ZDUSSCGKSA-N -1 0 362.408 -0.958 20 0 FBADRM CC(C)N1C(=O)c2ccc(C(=O)NC[C@H](O)C(=O)[O-])cc2S1(=O)=O ZINC000833500915 605090725 /nfs/dbraw/zinc/09/07/25/605090725.db2.gz PNMQSSJIMKJUPQ-JTQLQIEISA-N -1 0 356.356 -0.585 20 0 FBADRM CC(C)N1C(=O)N[C@]2(CCN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)C2)C1=O ZINC000833500917 604931105 /nfs/dbraw/zinc/93/11/05/604931105.db2.gz PQBZNJUGBOLPNC-AWEZNQCLSA-N -1 0 370.387 -0.194 20 0 FBADRM CC(C)N1C(=O)N[C@@]2(CCN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)C2)C1=O ZINC000833500918 604931495 /nfs/dbraw/zinc/93/14/95/604931495.db2.gz PQBZNJUGBOLPNC-CQSZACIVSA-N -1 0 370.387 -0.194 20 0 FBADRM CC(C)N1C(=O)N[C@]2(CCN(C(=O)Nc3ccn(CC(=O)[O-])n3)C2)C1=O ZINC000833500926 604938927 /nfs/dbraw/zinc/93/89/27/604938927.db2.gz QERHEALCDMSQNW-HNNXBMFYSA-N -1 0 364.362 -0.096 20 0 FBADRM CC(C)N1C(=O)N[C@@]2(CCN(C(=O)Nc3ccn(CC(=O)[O-])n3)C2)C1=O ZINC000833500927 604938936 /nfs/dbraw/zinc/93/89/36/604938936.db2.gz QERHEALCDMSQNW-OAHLLOKOSA-N -1 0 364.362 -0.096 20 0 FBADRM CC(C)N1C(=O)N[C@]2(CCN(S(=O)(=O)CC3(CC(=O)[O-])CC3)C2)C1=O ZINC000833501429 604931636 /nfs/dbraw/zinc/93/16/36/604931636.db2.gz XZYDJKVXMGWGLD-HNNXBMFYSA-N -1 0 373.431 -0.024 20 0 FBADRM CC(C)N1C(=O)N[C@@]2(CCN(S(=O)(=O)CC3(CC(=O)[O-])CC3)C2)C1=O ZINC000833501430 604931379 /nfs/dbraw/zinc/93/13/79/604931379.db2.gz XZYDJKVXMGWGLD-OAHLLOKOSA-N -1 0 373.431 -0.024 20 0 FBADRM CC(C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000833501648 604685626 /nfs/dbraw/zinc/68/56/26/604685626.db2.gz FOFQTGVBPIPVLA-UHFFFAOYSA-N -1 0 370.431 -0.389 20 0 FBADRM CC(C)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1C(=O)[O-] ZINC000833501666 605022795 /nfs/dbraw/zinc/02/27/95/605022795.db2.gz FYYZUEZZUMPDFY-UHFFFAOYSA-N -1 0 350.418 -0.009 20 0 FBADRM CC(C)NS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833501840 604691806 /nfs/dbraw/zinc/69/18/06/604691806.db2.gz KIZNLKHRFQAWTR-UHFFFAOYSA-N -1 0 351.406 -0.614 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833502065 604890810 /nfs/dbraw/zinc/89/08/10/604890810.db2.gz MNPCPBJDROUGLA-LLVKDONJSA-N -1 0 351.425 -0.819 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833502067 604890491 /nfs/dbraw/zinc/89/04/91/604890491.db2.gz MNPCPBJDROUGLA-NSHDSACASA-N -1 0 351.425 -0.819 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000833502199 605191772 /nfs/dbraw/zinc/19/17/72/605191772.db2.gz OTXYBAHQOKSFNZ-UHFFFAOYSA-N -1 0 373.387 -0.665 20 0 FBADRM CC(C)NC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000833502257 605192153 /nfs/dbraw/zinc/19/21/53/605192153.db2.gz PZAKOKWBHCPUGO-UHFFFAOYSA-N -1 0 359.404 -0.191 20 0 FBADRM CC(C)NS(=O)(=O)CCNS(=O)(=O)c1csnc1C(=O)[O-] ZINC000833502332 605022834 /nfs/dbraw/zinc/02/28/34/605022834.db2.gz PUCUAEYPPPSDKH-UHFFFAOYSA-N -1 0 357.435 -0.553 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000833502484 605027087 /nfs/dbraw/zinc/02/70/87/605027087.db2.gz SRQQGUAUTWDFBU-UHFFFAOYSA-N -1 0 360.392 -0.894 20 0 FBADRM CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1ccsc1C(=O)[O-] ZINC000833502849 605462011 /nfs/dbraw/zinc/46/20/11/605462011.db2.gz YRBIOYOBJOWUKJ-UHFFFAOYSA-N -1 0 363.417 -0.171 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)Nc2cncc(C(=O)[O-])c2)CC1 ZINC000833502879 605174566 /nfs/dbraw/zinc/17/45/66/605174566.db2.gz WQTDDBFGUMVUIL-UHFFFAOYSA-N -1 0 363.374 -0.020 20 0 FBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)c1 ZINC000833504375 604908008 /nfs/dbraw/zinc/90/80/08/604908008.db2.gz IQTDUWVQDHBLGA-CYBMUJFWSA-N -1 0 373.431 -0.001 20 0 FBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)c1 ZINC000833504376 604908172 /nfs/dbraw/zinc/90/81/72/604908172.db2.gz IQTDUWVQDHBLGA-ZDUSSCGKSA-N -1 0 373.431 -0.001 20 0 FBADRM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000833505555 604908846 /nfs/dbraw/zinc/90/88/46/604908846.db2.gz KRGRTVYBFDCGEQ-SECBINFHSA-N -1 0 353.379 -0.730 20 0 FBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000833505567 604908683 /nfs/dbraw/zinc/90/86/83/604908683.db2.gz KRGRTVYBFDCGEQ-VIFPVBQESA-N -1 0 353.379 -0.730 20 0 FBADRM CC(C)OC[C@H](C(=O)[O-])N(C)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000833505805 605193193 /nfs/dbraw/zinc/19/31/93/605193193.db2.gz OBFJHRWJPXXKKJ-GFCCVEGCSA-N -1 0 366.436 -0.120 20 0 FBADRM CC(C)OC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000833505810 605193390 /nfs/dbraw/zinc/19/33/90/605193390.db2.gz OBFJHRWJPXXKKJ-LBPRGKRZSA-N -1 0 366.436 -0.120 20 0 FBADRM CC(C)Oc1ccc(NS(=O)(=O)CC(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC000833506645 605470109 /nfs/dbraw/zinc/47/01/09/605470109.db2.gz JBKOXLMOROWXQZ-LBPRGKRZSA-N -1 0 360.388 -0.223 20 0 FBADRM CC(C)S(=O)(=O)CC(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC000833507912 604958487 /nfs/dbraw/zinc/95/84/87/604958487.db2.gz NWYLOHIZEJKRLE-UHFFFAOYSA-N -1 0 356.404 -0.353 20 0 FBADRM CC(C)[C@@H](CO)NC(=O)C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000833508172 605030775 /nfs/dbraw/zinc/03/07/75/605030775.db2.gz LWNBMQUFPMEBMC-GFCCVEGCSA-N -1 0 372.399 -0.140 20 0 FBADRM CC(C)n1cnc(S(=O)(=O)N(CCN2CCOCC2)CC(=O)[O-])c1 ZINC000833513540 605201849 /nfs/dbraw/zinc/20/18/49/605201849.db2.gz NWWPUHKEFQTSRB-UHFFFAOYSA-N -1 0 360.436 -0.129 20 0 FBADRM C[C@H](CNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1)S(C)(=O)=O ZINC000833516984 604495221 /nfs/dbraw/zinc/49/52/21/604495221.db2.gz DFGCEQNMFCFIQX-SECBINFHSA-N -1 0 358.372 -0.362 20 0 FBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1)S(C)(=O)=O ZINC000833516985 604495177 /nfs/dbraw/zinc/49/51/77/604495177.db2.gz DFGCEQNMFCFIQX-VIFPVBQESA-N -1 0 358.372 -0.362 20 0 FBADRM C[C@H](CNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1)S(C)(=O)=O ZINC000833517502 604495551 /nfs/dbraw/zinc/49/55/51/604495551.db2.gz QJPOUFYLOVEGFU-SECBINFHSA-N -1 0 358.372 -0.362 20 0 FBADRM C[C@@H](CNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1)S(C)(=O)=O ZINC000833517503 604495225 /nfs/dbraw/zinc/49/52/25/604495225.db2.gz QJPOUFYLOVEGFU-VIFPVBQESA-N -1 0 358.372 -0.362 20 0 FBADRM C[C@H](CS(=O)(=O)N1CC(S(=O)(=O)NC2CCCC2)C1)C(=O)[O-] ZINC000833517859 605936345 /nfs/dbraw/zinc/93/63/45/605936345.db2.gz DJPGRMOHIRFRNS-SECBINFHSA-N -1 0 354.450 -0.417 20 0 FBADRM C[C@@H](CS(=O)(=O)N1CC(S(=O)(=O)NC2CCCC2)C1)C(=O)[O-] ZINC000833517860 605936391 /nfs/dbraw/zinc/93/63/91/605936391.db2.gz DJPGRMOHIRFRNS-VIFPVBQESA-N -1 0 354.450 -0.417 20 0 FBADRM C[C@H](CS(=O)(=O)N1CCC(O)(CN2CCOCC2)CC1)C(=O)[O-] ZINC000833518092 605212972 /nfs/dbraw/zinc/21/29/72/605212972.db2.gz GJLZAACKKCLNNM-GFCCVEGCSA-N -1 0 350.437 -0.804 20 0 FBADRM C[C@@H](CS(=O)(=O)N1CCC(O)(CN2CCOCC2)CC1)C(=O)[O-] ZINC000833518095 605213255 /nfs/dbraw/zinc/21/32/55/605213255.db2.gz GJLZAACKKCLNNM-LBPRGKRZSA-N -1 0 350.437 -0.804 20 0 FBADRM C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000833519231 605030765 /nfs/dbraw/zinc/03/07/65/605030765.db2.gz QSOKHRIBJZMQOL-BDAKNGLRSA-N -1 0 372.399 -0.140 20 0 FBADRM C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000833519232 605030818 /nfs/dbraw/zinc/03/08/18/605030818.db2.gz QSOKHRIBJZMQOL-DTWKUNHWSA-N -1 0 372.399 -0.140 20 0 FBADRM C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000833519233 605030777 /nfs/dbraw/zinc/03/07/77/605030777.db2.gz QSOKHRIBJZMQOL-IUCAKERBSA-N -1 0 372.399 -0.140 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1)[C@H](C)CO ZINC000833519234 605030805 /nfs/dbraw/zinc/03/08/05/605030805.db2.gz QSOKHRIBJZMQOL-RKDXNWHRSA-N -1 0 372.399 -0.140 20 0 FBADRM C[C@@H](O)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000833526664 605292431 /nfs/dbraw/zinc/29/24/31/605292431.db2.gz HGBRMFZNDJNCEZ-NXEZZACHSA-N -1 0 351.359 -0.285 20 0 FBADRM C[C@H](O)C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000833526673 605292384 /nfs/dbraw/zinc/29/23/84/605292384.db2.gz HGBRMFZNDJNCEZ-UWVGGRQHSA-N -1 0 351.359 -0.285 20 0 FBADRM C[C@@H](O)C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000833526676 605292438 /nfs/dbraw/zinc/29/24/38/605292438.db2.gz HGBRMFZNDJNCEZ-VHSXEESVSA-N -1 0 351.359 -0.285 20 0 FBADRM C[C@H](C[C@H](C)O)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000833526677 605292353 /nfs/dbraw/zinc/29/23/53/605292353.db2.gz HGBRMFZNDJNCEZ-ZJUUUORDSA-N -1 0 351.359 -0.285 20 0 FBADRM C[C@@H](O)C[C@@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000833528995 605291363 /nfs/dbraw/zinc/29/13/63/605291363.db2.gz UCLOBYHHSCCBEZ-GHMZBOCLSA-N -1 0 365.386 -0.356 20 0 FBADRM C[C@H](C[C@H](C)O)NC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000833528997 605291433 /nfs/dbraw/zinc/29/14/33/605291433.db2.gz UCLOBYHHSCCBEZ-MNOVXSKESA-N -1 0 365.386 -0.356 20 0 FBADRM C[C@H](O)C[C@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000833528999 605291419 /nfs/dbraw/zinc/29/14/19/605291419.db2.gz UCLOBYHHSCCBEZ-QWRGUYRKSA-N -1 0 365.386 -0.356 20 0 FBADRM C[C@@H](O)C[C@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000833529000 605291375 /nfs/dbraw/zinc/29/13/75/605291375.db2.gz UCLOBYHHSCCBEZ-WDEREUQCSA-N -1 0 365.386 -0.356 20 0 FBADRM C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)cn1C)C(=O)NCC(=O)[O-] ZINC000833530163 605463951 /nfs/dbraw/zinc/46/39/51/605463951.db2.gz ATNGDEXLMXMQIO-MRVPVSSYSA-N -1 0 361.376 -0.979 20 0 FBADRM C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)cn1C)C(=O)NCC(=O)[O-] ZINC000833530165 605464210 /nfs/dbraw/zinc/46/42/10/605464210.db2.gz ATNGDEXLMXMQIO-QMMMGPOBSA-N -1 0 361.376 -0.979 20 0 FBADRM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000833531075 605671887 /nfs/dbraw/zinc/67/18/87/605671887.db2.gz YHUVEJFHGKTGHK-CMPLNLGQSA-N -1 0 363.370 -0.331 20 0 FBADRM C[C@H](O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000833531076 605671905 /nfs/dbraw/zinc/67/19/05/605671905.db2.gz YHUVEJFHGKTGHK-JQWIXIFHSA-N -1 0 363.370 -0.331 20 0 FBADRM C[C@@H](O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000833531077 605671961 /nfs/dbraw/zinc/67/19/61/605671961.db2.gz YHUVEJFHGKTGHK-PWSUYJOCSA-N -1 0 363.370 -0.331 20 0 FBADRM C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000833531078 605671806 /nfs/dbraw/zinc/67/18/06/605671806.db2.gz YHUVEJFHGKTGHK-ZYHUDNBSSA-N -1 0 363.370 -0.331 20 0 FBADRM C[C@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000833532264 604958798 /nfs/dbraw/zinc/95/87/98/604958798.db2.gz HVXRRZKFBYUUAA-QWRGUYRKSA-N -1 0 351.363 -0.287 20 0 FBADRM C[C@@H](OC(=O)[C@H](C)NC(=O)[O-])C(=O)N1CCN(c2ncccn2)CC1 ZINC000833532273 604959036 /nfs/dbraw/zinc/95/90/36/604959036.db2.gz HVXRRZKFBYUUAA-WDEREUQCSA-N -1 0 351.363 -0.287 20 0 FBADRM C[C@@H](OC(=O)c1cc(C(=O)[O-])no1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000833532784 605822135 /nfs/dbraw/zinc/82/21/35/605822135.db2.gz KDDIUKNSWMBFDU-HTQZYQBOSA-N -1 0 360.344 -0.436 20 0 FBADRM C[C@H](OC(=O)c1cc(C(=O)[O-])no1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000833532786 605821977 /nfs/dbraw/zinc/82/19/77/605821977.db2.gz KDDIUKNSWMBFDU-JGVFFNPUSA-N -1 0 360.344 -0.436 20 0 FBADRM C[C@@H](OC(=O)c1cc(C(=O)[O-])no1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000833532788 605822195 /nfs/dbraw/zinc/82/21/95/605822195.db2.gz KDDIUKNSWMBFDU-SFYZADRCSA-N -1 0 360.344 -0.436 20 0 FBADRM C[C@H](OC(=O)c1cc(C(=O)[O-])no1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000833532790 605822013 /nfs/dbraw/zinc/82/20/13/605822013.db2.gz KDDIUKNSWMBFDU-YUMQZZPRSA-N -1 0 360.344 -0.436 20 0 FBADRM C[C@H](OC(=O)Cn1ncn(C)c1=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000833533574 605819855 /nfs/dbraw/zinc/81/98/55/605819855.db2.gz YFNGKOAELLIRLY-JTQLQIEISA-N -1 0 362.342 -0.472 20 0 FBADRM C[C@@H](OC(=O)Cn1ncn(C)c1=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000833533577 605819930 /nfs/dbraw/zinc/81/99/30/605819930.db2.gz YFNGKOAELLIRLY-SNVBAGLBSA-N -1 0 362.342 -0.472 20 0 FBADRM C[C@@H](OC(=O)[C@H](C)NC(=O)[O-])C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000833533727 604960132 /nfs/dbraw/zinc/96/01/32/604960132.db2.gz OEWCUVROTUNTSN-JGVFFNPUSA-N -1 0 359.360 -0.140 20 0 FBADRM C[C@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000833533728 604960125 /nfs/dbraw/zinc/96/01/25/604960125.db2.gz OEWCUVROTUNTSN-YUMQZZPRSA-N -1 0 359.360 -0.140 20 0 FBADRM C[C@@H](OC(=O)[C@H](C)NC(=O)[O-])C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000833534206 604963943 /nfs/dbraw/zinc/96/39/43/604963943.db2.gz VQPQEDJNGHEROC-JGVFFNPUSA-N -1 0 359.360 -0.140 20 0 FBADRM C[C@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000833534207 604963972 /nfs/dbraw/zinc/96/39/72/604963972.db2.gz VQPQEDJNGHEROC-YUMQZZPRSA-N -1 0 359.360 -0.140 20 0 FBADRM C[C@@H](OC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1)C(=O)NCC(=O)[O-] ZINC000833534615 604586488 /nfs/dbraw/zinc/58/64/88/604586488.db2.gz FRYVTVVEMJGIMU-BCTVWOGZSA-N -1 0 363.326 -0.513 20 0 FBADRM C[C@H](OC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1)C(=O)NCC(=O)[O-] ZINC000833534616 604586669 /nfs/dbraw/zinc/58/66/69/604586669.db2.gz FRYVTVVEMJGIMU-PWJLMRLQSA-N -1 0 363.326 -0.513 20 0 FBADRM C[C@@H](OC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1)C(=O)NCC(=O)[O-] ZINC000833534618 604586800 /nfs/dbraw/zinc/58/68/00/604586800.db2.gz FRYVTVVEMJGIMU-VPTHRUTESA-N -1 0 363.326 -0.513 20 0 FBADRM C[C@H](OC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1)C(=O)NCC(=O)[O-] ZINC000833534620 604586751 /nfs/dbraw/zinc/58/67/51/604586751.db2.gz FRYVTVVEMJGIMU-ZKANADHPSA-N -1 0 363.326 -0.513 20 0 FBADRM C[C@@H](OC(=O)c1coc(S(N)(=O)=O)c1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000833535015 604657698 /nfs/dbraw/zinc/65/76/98/604657698.db2.gz DARBWXGOWCXBMT-MRVPVSSYSA-N -1 0 374.371 -0.205 20 0 FBADRM C[C@H](OC(=O)c1coc(S(N)(=O)=O)c1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000833535016 604657700 /nfs/dbraw/zinc/65/77/00/604657700.db2.gz DARBWXGOWCXBMT-QMMMGPOBSA-N -1 0 374.371 -0.205 20 0 FBADRM C[C@@H](OC(=O)c1cncc(C(=O)[O-])c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000833537451 605018985 /nfs/dbraw/zinc/01/89/85/605018985.db2.gz YHRPOWBHWITHJM-BXKDBHETSA-N -1 0 370.383 -0.029 20 0 FBADRM C[C@H](OC(=O)c1cncc(C(=O)[O-])c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000833537452 605019004 /nfs/dbraw/zinc/01/90/04/605019004.db2.gz YHRPOWBHWITHJM-CABZTGNLSA-N -1 0 370.383 -0.029 20 0 FBADRM C[C@H](OC(=O)c1cncc(C(=O)[O-])c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000833537453 605018968 /nfs/dbraw/zinc/01/89/68/605018968.db2.gz YHRPOWBHWITHJM-JOYOIKCWSA-N -1 0 370.383 -0.029 20 0 FBADRM C[C@@H](OC(=O)c1cncc(C(=O)[O-])c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000833537454 605019169 /nfs/dbraw/zinc/01/91/69/605019169.db2.gz YHRPOWBHWITHJM-SKDRFNHKSA-N -1 0 370.383 -0.029 20 0 FBADRM C[C@@H](Oc1cccc(OS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1)C(N)=O ZINC000833541560 604712069 /nfs/dbraw/zinc/71/20/69/604712069.db2.gz VHFWGMNWPDJOQH-SECBINFHSA-N -1 0 369.355 -0.012 20 0 FBADRM C[C@H](Oc1cccc(OS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1)C(N)=O ZINC000833541561 604712088 /nfs/dbraw/zinc/71/20/88/604712088.db2.gz VHFWGMNWPDJOQH-VIFPVBQESA-N -1 0 369.355 -0.012 20 0 FBADRM C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000833544986 605536958 /nfs/dbraw/zinc/53/69/58/605536958.db2.gz LQXGXABRYLPGCK-SSDOTTSWSA-N -1 0 364.391 -0.138 20 0 FBADRM C[C@H](Sc1nnnn1C1CC1)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000833544987 605536653 /nfs/dbraw/zinc/53/66/53/605536653.db2.gz LQXGXABRYLPGCK-ZETCQYMHSA-N -1 0 364.391 -0.138 20 0 FBADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000833545899 605049449 /nfs/dbraw/zinc/04/94/49/605049449.db2.gz BWGLEUMFYYZTBP-GRYCIOLGSA-N -1 0 358.416 -0.186 20 0 FBADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000833545900 605049418 /nfs/dbraw/zinc/04/94/18/605049418.db2.gz BWGLEUMFYYZTBP-IJLUTSLNSA-N -1 0 358.416 -0.186 20 0 FBADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000833545901 605049756 /nfs/dbraw/zinc/04/97/56/605049756.db2.gz BWGLEUMFYYZTBP-UTUOFQBUSA-N -1 0 358.416 -0.186 20 0 FBADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000833545902 605049741 /nfs/dbraw/zinc/04/97/41/605049741.db2.gz BWGLEUMFYYZTBP-WOPDTQHZSA-N -1 0 358.416 -0.186 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)C1 ZINC000833554187 604927472 /nfs/dbraw/zinc/92/74/72/604927472.db2.gz ROAJYUHSFMSJQU-INIZCTEOSA-N -1 0 359.342 -0.077 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)C1 ZINC000833554188 604927344 /nfs/dbraw/zinc/92/73/44/604927344.db2.gz ROAJYUHSFMSJQU-MRXNPFEDSA-N -1 0 359.342 -0.077 20 0 FBADRM CC1(C)CN(C(=O)C2CC2)CCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833559677 605144899 /nfs/dbraw/zinc/14/48/99/605144899.db2.gz COXOLHSHTCHUPP-UHFFFAOYSA-N -1 0 370.431 -0.011 20 0 FBADRM CC1(C)CN(S(=O)(=O)N(CCN2CCOCC2)CC(=O)[O-])CCO1 ZINC000833561390 605206554 /nfs/dbraw/zinc/20/65/54/605206554.db2.gz ITSROVJQRIDCKS-UHFFFAOYSA-N -1 0 365.452 -0.939 20 0 FBADRM CC1(C)NC(=O)N(CCCC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1=O ZINC000833562083 605541775 /nfs/dbraw/zinc/54/17/75/605541775.db2.gz GXNYYDZOIIDLKE-UHFFFAOYSA-N -1 0 364.362 -0.530 20 0 FBADRM CC1(C)NC(=O)N(CCCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])C1=O ZINC000833562135 604898269 /nfs/dbraw/zinc/89/82/69/604898269.db2.gz JORTVWLPJZZYSY-JTQLQIEISA-N -1 0 351.363 -0.368 20 0 FBADRM CC1(CNC(=O)C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)OCCO1 ZINC000833562530 605033838 /nfs/dbraw/zinc/03/38/38/605033838.db2.gz CVZLBBUMBJMTAD-UHFFFAOYSA-N -1 0 365.342 -0.681 20 0 FBADRM CC1(C)NC(=O)N(CC(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)C1=O ZINC000833562568 604777568 /nfs/dbraw/zinc/77/75/68/604777568.db2.gz UMLYRDRVRKKYRF-UHFFFAOYSA-N -1 0 355.347 -0.817 20 0 FBADRM CC1(C)NC(=O)N(CCCC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1=O ZINC000833562645 604908289 /nfs/dbraw/zinc/90/82/89/604908289.db2.gz WDBCHIROWFOHEO-GFCCVEGCSA-N -1 0 355.391 -0.219 20 0 FBADRM CC1(C)NC(=O)N(CCCC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1=O ZINC000833562650 604908241 /nfs/dbraw/zinc/90/82/41/604908241.db2.gz WDBCHIROWFOHEO-LBPRGKRZSA-N -1 0 355.391 -0.219 20 0 FBADRM CC1(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)OCCO1 ZINC000833563931 605033809 /nfs/dbraw/zinc/03/38/09/605033809.db2.gz PZAPKBDIEXLZEU-GFCCVEGCSA-N -1 0 350.327 -0.256 20 0 FBADRM CC1(CNC(=O)C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)OCCO1 ZINC000833563938 605034003 /nfs/dbraw/zinc/03/40/03/605034003.db2.gz PZAPKBDIEXLZEU-LBPRGKRZSA-N -1 0 350.327 -0.256 20 0 FBADRM C[C@]1([C@H]2CCCN(S(=O)(=O)c3cc(C(=O)[O-])co3)C2)NC(=O)NC1=O ZINC000833564039 605211447 /nfs/dbraw/zinc/21/14/47/605211447.db2.gz LADAOXNUUQYFBR-LKFCYVNXSA-N -1 0 371.371 -0.023 20 0 FBADRM C[C@@]1([C@@H]2CCCN(S(=O)(=O)c3cc(C(=O)[O-])co3)C2)NC(=O)NC1=O ZINC000833564041 605211547 /nfs/dbraw/zinc/21/15/47/605211547.db2.gz LADAOXNUUQYFBR-OTYXRUKQSA-N -1 0 371.371 -0.023 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1=O ZINC000833564154 605541694 /nfs/dbraw/zinc/54/16/94/605541694.db2.gz QBTDEYPRYVDETJ-HNNXBMFYSA-N -1 0 362.346 -0.920 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1=O ZINC000833564155 605541496 /nfs/dbraw/zinc/54/14/96/605541496.db2.gz QBTDEYPRYVDETJ-OAHLLOKOSA-N -1 0 362.346 -0.920 20 0 FBADRM C[C@@]1([C@H]2CCCN(S(=O)(=O)c3cc(C(=O)[O-])co3)C2)NC(=O)NC1=O ZINC000833564201 605211687 /nfs/dbraw/zinc/21/16/87/605211687.db2.gz LADAOXNUUQYFBR-XPTSAGLGSA-N -1 0 371.371 -0.023 20 0 FBADRM C[C@]1([C@@H]2CCCN(S(=O)(=O)c3cc(C(=O)[O-])co3)C2)NC(=O)NC1=O ZINC000833564202 605211673 /nfs/dbraw/zinc/21/16/73/605211673.db2.gz LADAOXNUUQYFBR-YMTOWFKASA-N -1 0 371.371 -0.023 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1=O ZINC000833564529 604899774 /nfs/dbraw/zinc/89/97/74/604899774.db2.gz SGEBRSIZTKMPCI-BLLLJJGKSA-N -1 0 353.375 -0.609 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1=O ZINC000833564530 604899863 /nfs/dbraw/zinc/89/98/63/604899863.db2.gz SGEBRSIZTKMPCI-LRDDRELGSA-N -1 0 353.375 -0.609 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1=O ZINC000833564531 604899707 /nfs/dbraw/zinc/89/97/07/604899707.db2.gz SGEBRSIZTKMPCI-MLGOLLRUSA-N -1 0 353.375 -0.609 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1=O ZINC000833564532 604899916 /nfs/dbraw/zinc/89/99/16/604899916.db2.gz SGEBRSIZTKMPCI-WBMJQRKESA-N -1 0 353.375 -0.609 20 0 FBADRM C[C@@]1(C2CCN(S(=O)(=O)c3cc(C(=O)[O-])co3)CC2)NC(=O)NC1=O ZINC000833565002 605209705 /nfs/dbraw/zinc/20/97/05/605209705.db2.gz SOKVBCAZNVTEMS-AWEZNQCLSA-N -1 0 371.371 -0.023 20 0 FBADRM C[C@]1(C2CCN(S(=O)(=O)c3cc(C(=O)[O-])co3)CC2)NC(=O)NC1=O ZINC000833565004 605210029 /nfs/dbraw/zinc/21/00/29/605210029.db2.gz SOKVBCAZNVTEMS-CQSZACIVSA-N -1 0 371.371 -0.023 20 0 FBADRM C[C@@]1(c2ccc(C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)[O-])cc2)NC(=O)NC1=O ZINC000833571785 605082208 /nfs/dbraw/zinc/08/22/08/605082208.db2.gz MFYDVJBOBWVWEK-SJCJKPOMSA-N -1 0 371.353 -0.110 20 0 FBADRM C[C@]1(c2ccc(C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)[O-])cc2)NC(=O)NC1=O ZINC000833571786 605082707 /nfs/dbraw/zinc/08/27/07/605082707.db2.gz MFYDVJBOBWVWEK-YVEFUNNKSA-N -1 0 371.353 -0.110 20 0 FBADRM C[C@]1(O)CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000833572181 605030926 /nfs/dbraw/zinc/03/09/26/605030926.db2.gz RKRRPVNOVQHVEF-HNNXBMFYSA-N -1 0 370.383 -0.290 20 0 FBADRM C[C@@]1(O)CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000833572182 605030913 /nfs/dbraw/zinc/03/09/13/605030913.db2.gz RKRRPVNOVQHVEF-OAHLLOKOSA-N -1 0 370.383 -0.290 20 0 FBADRM C[C@@]1(c2cccc(C(=O)OCC(=O)NCCC(=O)[O-])c2)NC(=O)NC1=O ZINC000833572277 604584643 /nfs/dbraw/zinc/58/46/43/604584643.db2.gz AOOPQENNBSSGGU-INIZCTEOSA-N -1 0 363.326 -0.511 20 0 FBADRM C[C@]1(c2cccc(C(=O)OCC(=O)NCCC(=O)[O-])c2)NC(=O)NC1=O ZINC000833572282 604584203 /nfs/dbraw/zinc/58/42/03/604584203.db2.gz AOOPQENNBSSGGU-MRXNPFEDSA-N -1 0 363.326 -0.511 20 0 FBADRM C[C@]1(O)CCCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000833573014 605175915 /nfs/dbraw/zinc/17/59/15/605175915.db2.gz WWLQUKLGGAKRAS-KRWDZBQOSA-N -1 0 363.370 -0.187 20 0 FBADRM C[C@@]1(O)CCCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000833573015 605176406 /nfs/dbraw/zinc/17/64/06/605176406.db2.gz WWLQUKLGGAKRAS-QGZVFWFLSA-N -1 0 363.370 -0.187 20 0 FBADRM C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC[C@H](O)C(=O)[O-])C1=O ZINC000833573670 605025286 /nfs/dbraw/zinc/02/52/86/605025286.db2.gz LSXGIMHCMCOMEI-BONVTDFDSA-N -1 0 353.306 -0.846 20 0 FBADRM C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC[C@H](O)C(=O)[O-])C1=O ZINC000833573671 605025227 /nfs/dbraw/zinc/02/52/27/605025227.db2.gz LSXGIMHCMCOMEI-ZUZCIYMTSA-N -1 0 353.306 -0.846 20 0 FBADRM C[C@@]1(c2cccc(C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)[O-])c2)NC(=O)NC1=O ZINC000833573680 605081798 /nfs/dbraw/zinc/08/17/98/605081798.db2.gz MDAUUUIIRHTZQJ-SJCJKPOMSA-N -1 0 371.353 -0.110 20 0 FBADRM C[C@]1(c2cccc(C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)[O-])c2)NC(=O)NC1=O ZINC000833573681 605082555 /nfs/dbraw/zinc/08/25/55/605082555.db2.gz MDAUUUIIRHTZQJ-YVEFUNNKSA-N -1 0 371.353 -0.110 20 0 FBADRM CC1=C(C(=O)[O-])C[C@H](CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)O1 ZINC000833576873 605330791 /nfs/dbraw/zinc/33/07/91/605330791.db2.gz ARXHKGIBPIJJOV-GFCCVEGCSA-N -1 0 365.386 -0.573 20 0 FBADRM CC1=C(C(=O)[O-])C[C@@H](CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)O1 ZINC000833576874 605330623 /nfs/dbraw/zinc/33/06/23/605330623.db2.gz ARXHKGIBPIJJOV-LBPRGKRZSA-N -1 0 365.386 -0.573 20 0 FBADRM CC1=C(C(=O)[O-])C[C@@H](CN2CCN(C(=O)CN3CCOCC3)CC2)O1 ZINC000833577619 604821675 /nfs/dbraw/zinc/82/16/75/604821675.db2.gz DPEFNCIQKIRDJJ-AWEZNQCLSA-N -1 0 353.419 -0.390 20 0 FBADRM CC1=C(C(=O)[O-])C[C@H](CN2CCN(C(=O)CN3CCOCC3)CC2)O1 ZINC000833577620 604821447 /nfs/dbraw/zinc/82/14/47/604821447.db2.gz DPEFNCIQKIRDJJ-CQSZACIVSA-N -1 0 353.419 -0.390 20 0 FBADRM C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NC[C@H](O)C(=O)[O-] ZINC000833577915 605089368 /nfs/dbraw/zinc/08/93/68/605089368.db2.gz NSVYYHLRQISXTC-SJCJKPOMSA-N -1 0 361.354 -0.453 20 0 FBADRM C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NC[C@H](O)C(=O)[O-] ZINC000833577919 605089507 /nfs/dbraw/zinc/08/95/07/605089507.db2.gz NSVYYHLRQISXTC-YVEFUNNKSA-N -1 0 361.354 -0.453 20 0 FBADRM CC1=C(C(=O)[O-])C[C@@H](CN2CCN(CC(=O)N3CCOCC3)CC2)O1 ZINC000833578480 604821699 /nfs/dbraw/zinc/82/16/99/604821699.db2.gz JHSKYVIVKZHRRL-AWEZNQCLSA-N -1 0 353.419 -0.390 20 0 FBADRM CC1=C(C(=O)[O-])C[C@H](CN2CCN(CC(=O)N3CCOCC3)CC2)O1 ZINC000833578483 604821663 /nfs/dbraw/zinc/82/16/63/604821663.db2.gz JHSKYVIVKZHRRL-CQSZACIVSA-N -1 0 353.419 -0.390 20 0 FBADRM CC1=C(C(=O)[O-])C[C@H](CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)O1 ZINC000833578645 605316051 /nfs/dbraw/zinc/31/60/51/605316051.db2.gz KJJDAKLWLWDZDT-CYBMUJFWSA-N -1 0 367.402 -0.863 20 0 FBADRM CC1=C(C(=O)[O-])C[C@@H](CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)O1 ZINC000833578651 605316172 /nfs/dbraw/zinc/31/61/72/605316172.db2.gz KJJDAKLWLWDZDT-ZDUSSCGKSA-N -1 0 367.402 -0.863 20 0 FBADRM CC1=C(C(=O)[O-])C[C@H](CN2CCN(C(=O)C(=O)N3CCCC3)CC2)O1 ZINC000833578664 605322691 /nfs/dbraw/zinc/32/26/91/605322691.db2.gz KPVZLZUDUUEPQJ-CYBMUJFWSA-N -1 0 351.403 -0.100 20 0 FBADRM CC1=C(C(=O)[O-])C[C@@H](CN2CCN(C(=O)C(=O)N3CCCC3)CC2)O1 ZINC000833578667 605323270 /nfs/dbraw/zinc/32/32/70/605323270.db2.gz KPVZLZUDUUEPQJ-ZDUSSCGKSA-N -1 0 351.403 -0.100 20 0 FBADRM C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@H](O)C(=O)[O-])C2=O ZINC000833588724 605025647 /nfs/dbraw/zinc/02/56/47/605025647.db2.gz JJZFNMOHZMZEGC-KCWFYHRYSA-N -1 0 355.391 -0.315 20 0 FBADRM C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@H](O)C(=O)[O-])C2=O ZINC000833588725 605025650 /nfs/dbraw/zinc/02/56/50/605025650.db2.gz JJZFNMOHZMZEGC-LSYCYVAJSA-N -1 0 355.391 -0.315 20 0 FBADRM C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@H](O)C(=O)[O-])C2=O ZINC000833588726 605025566 /nfs/dbraw/zinc/02/55/66/605025566.db2.gz JJZFNMOHZMZEGC-PUTJDCORSA-N -1 0 355.391 -0.315 20 0 FBADRM C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@H](O)C(=O)[O-])C2=O ZINC000833588727 605025541 /nfs/dbraw/zinc/02/55/41/605025541.db2.gz JJZFNMOHZMZEGC-XQJJYNOISA-N -1 0 355.391 -0.315 20 0 FBADRM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)OCC(=O)NCC(=O)[O-])C2=O ZINC000833592942 604659131 /nfs/dbraw/zinc/65/91/31/604659131.db2.gz GCISWBXQWZFQBY-NXEZZACHSA-N -1 0 369.374 -0.523 20 0 FBADRM C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)OCC(=O)NCC(=O)[O-])C2=O ZINC000833592945 604659274 /nfs/dbraw/zinc/65/92/74/604659274.db2.gz GCISWBXQWZFQBY-UWVGGRQHSA-N -1 0 369.374 -0.523 20 0 FBADRM C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)OCC(=O)NCC(=O)[O-])C2=O ZINC000833592948 604659033 /nfs/dbraw/zinc/65/90/33/604659033.db2.gz GCISWBXQWZFQBY-WRBXQSRGSA-N -1 0 369.374 -0.523 20 0 FBADRM C[C@H](NC(=O)[O-])C(=O)OCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000833608440 604962559 /nfs/dbraw/zinc/96/25/59/604962559.db2.gz BJCMPXGGZMALNP-WWNCPBBQSA-N -1 0 370.362 -0.282 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@]1(C(=O)[O-])CCOC1)C2=O ZINC000833608744 604488640 /nfs/dbraw/zinc/48/86/40/604488640.db2.gz CTODLMKOKQEEAZ-KPALFNEHSA-N -1 0 368.390 -0.648 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@@]1(C(=O)[O-])CCOC1)C2=O ZINC000833608747 604488350 /nfs/dbraw/zinc/48/83/50/604488350.db2.gz CTODLMKOKQEEAZ-XTQHVIMUSA-N -1 0 368.390 -0.648 20 0 FBADRM C[C@@H]1CCCCN1C(=O)CN1CCN(CN2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000833611999 605168790 /nfs/dbraw/zinc/16/87/90/605168790.db2.gz MAPVYKUOYWIPJW-CABCVRRESA-N -1 0 366.462 -0.104 20 0 FBADRM C[C@H]1CCCCN1C(=O)CN1CCN(CN2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000833612005 605169065 /nfs/dbraw/zinc/16/90/65/605169065.db2.gz MAPVYKUOYWIPJW-GJZGRUSLSA-N -1 0 366.462 -0.104 20 0 FBADRM C[C@@H]1CCCCN1C(=O)CN1CCN(CN2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000833612008 605168760 /nfs/dbraw/zinc/16/87/60/605168760.db2.gz MAPVYKUOYWIPJW-HUUCEWRRSA-N -1 0 366.462 -0.104 20 0 FBADRM C[C@H]1CCCCN1C(=O)CN1CCN(CN2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000833612010 605168880 /nfs/dbraw/zinc/16/88/80/605168880.db2.gz MAPVYKUOYWIPJW-LSDHHAIUSA-N -1 0 366.462 -0.104 20 0 FBADRM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC000833620034 605564670 /nfs/dbraw/zinc/56/46/70/605564670.db2.gz JUKLAFIYWXHCLE-CHWSQXEVSA-N -1 0 363.418 -0.348 20 0 FBADRM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC000833620039 605565175 /nfs/dbraw/zinc/56/51/75/605565175.db2.gz JUKLAFIYWXHCLE-OLZOCXBDSA-N -1 0 363.418 -0.348 20 0 FBADRM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC000833620041 605565041 /nfs/dbraw/zinc/56/50/41/605565041.db2.gz JUKLAFIYWXHCLE-QWHCGFSZSA-N -1 0 363.418 -0.348 20 0 FBADRM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC000833620045 605564762 /nfs/dbraw/zinc/56/47/62/605564762.db2.gz JUKLAFIYWXHCLE-STQMWFEESA-N -1 0 363.418 -0.348 20 0 FBADRM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1cc(C(=O)[O-])no1 ZINC000833620526 605872429 /nfs/dbraw/zinc/87/24/29/605872429.db2.gz LAALRGNEJUOCFC-NEPJUHHUSA-N -1 0 352.391 -0.150 20 0 FBADRM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1cc(C(=O)[O-])no1 ZINC000833620527 605872527 /nfs/dbraw/zinc/87/25/27/605872527.db2.gz LAALRGNEJUOCFC-NWDGAFQWSA-N -1 0 352.391 -0.150 20 0 FBADRM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1cc(C(=O)[O-])no1 ZINC000833620529 605872539 /nfs/dbraw/zinc/87/25/39/605872539.db2.gz LAALRGNEJUOCFC-RYUDHWBXSA-N -1 0 352.391 -0.150 20 0 FBADRM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1cc(C(=O)[O-])no1 ZINC000833620531 605872176 /nfs/dbraw/zinc/87/21/76/605872176.db2.gz LAALRGNEJUOCFC-VXGBXAGGSA-N -1 0 352.391 -0.150 20 0 FBADRM C[C@@H]1CN(C(=O)c2ccc(CNS(C)(=O)=O)o2)CCN1CCC(=O)[O-] ZINC000833622873 605279243 /nfs/dbraw/zinc/27/92/43/605279243.db2.gz OQDVWGOMZLFXSF-LLVKDONJSA-N -1 0 373.431 -0.050 20 0 FBADRM C[C@H]1CN(C(=O)c2ccc(CNS(C)(=O)=O)o2)CCN1CCC(=O)[O-] ZINC000833622874 605278933 /nfs/dbraw/zinc/27/89/33/605278933.db2.gz OQDVWGOMZLFXSF-NSHDSACASA-N -1 0 373.431 -0.050 20 0 FBADRM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000833625345 605109677 /nfs/dbraw/zinc/10/96/77/605109677.db2.gz LDXIGKABVFKEKL-LLVKDONJSA-N -1 0 373.431 -0.050 20 0 FBADRM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000833625349 605109706 /nfs/dbraw/zinc/10/97/06/605109706.db2.gz LDXIGKABVFKEKL-NSHDSACASA-N -1 0 373.431 -0.050 20 0 FBADRM C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccnc2)C[C@H]1C(=O)[O-] ZINC000833626259 604860289 /nfs/dbraw/zinc/86/02/89/604860289.db2.gz YVYRVHSMXUBJGR-CMPLNLGQSA-N -1 0 356.404 -0.278 20 0 FBADRM C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccnc2)C[C@@H]1C(=O)[O-] ZINC000833626284 604860422 /nfs/dbraw/zinc/86/04/22/604860422.db2.gz YVYRVHSMXUBJGR-JQWIXIFHSA-N -1 0 356.404 -0.278 20 0 FBADRM C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccnc2)C[C@@H]1C(=O)[O-] ZINC000833626286 604860346 /nfs/dbraw/zinc/86/03/46/604860346.db2.gz YVYRVHSMXUBJGR-PWSUYJOCSA-N -1 0 356.404 -0.278 20 0 FBADRM C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccnc2)C[C@H]1C(=O)[O-] ZINC000833626289 604860411 /nfs/dbraw/zinc/86/04/11/604860411.db2.gz YVYRVHSMXUBJGR-ZYHUDNBSSA-N -1 0 356.404 -0.278 20 0 FBADRM C[C@@H]1COCCN1C(=O)C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000833631056 605026788 /nfs/dbraw/zinc/02/67/88/605026788.db2.gz FWNVQBVETRDKSJ-SECBINFHSA-N -1 0 370.383 -0.026 20 0 FBADRM C[C@H]1COCCN1C(=O)C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000833631060 605026801 /nfs/dbraw/zinc/02/68/01/605026801.db2.gz FWNVQBVETRDKSJ-VIFPVBQESA-N -1 0 370.383 -0.026 20 0 FBADRM C[C@@H]1NC(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])=NN(c2ccccc2)C1=O ZINC000833633317 604898172 /nfs/dbraw/zinc/89/81/72/604898172.db2.gz FCHGOFCSAWSYNX-GWCFXTLKSA-N -1 0 370.369 -0.140 20 0 FBADRM C[C@H]1NC(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])=NN(c2ccccc2)C1=O ZINC000833633319 604898057 /nfs/dbraw/zinc/89/80/57/604898057.db2.gz FCHGOFCSAWSYNX-MFKMUULPSA-N -1 0 370.369 -0.140 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCC2(CC1)NC(=O)N(C)C2=O)C(=O)[O-] ZINC000833637707 604934598 /nfs/dbraw/zinc/93/45/98/604934598.db2.gz FNYKZKWVHGTNMV-CMPLNLGQSA-N -1 0 354.407 -0.382 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)CN1CCC2(CC1)NC(=O)N(C)C2=O)C(=O)[O-] ZINC000833637708 604934899 /nfs/dbraw/zinc/93/48/99/604934899.db2.gz FNYKZKWVHGTNMV-JQWIXIFHSA-N -1 0 354.407 -0.382 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)CN1CCC2(CC1)NC(=O)N(C)C2=O)C(=O)[O-] ZINC000833637709 604934787 /nfs/dbraw/zinc/93/47/87/604934787.db2.gz FNYKZKWVHGTNMV-PWSUYJOCSA-N -1 0 354.407 -0.382 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)CN1CCC2(CC1)NC(=O)N(C)C2=O)C(=O)[O-] ZINC000833637710 604934386 /nfs/dbraw/zinc/93/43/86/604934386.db2.gz FNYKZKWVHGTNMV-ZYHUDNBSSA-N -1 0 354.407 -0.382 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000833638672 604542491 /nfs/dbraw/zinc/54/24/91/604542491.db2.gz JZLGUCNSIRHDTR-DUZHOBMZSA-N -1 0 365.390 -0.197 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000833638673 604542543 /nfs/dbraw/zinc/54/25/43/604542543.db2.gz JZLGUCNSIRHDTR-HCYDYPBKSA-N -1 0 365.390 -0.197 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000833638674 604542539 /nfs/dbraw/zinc/54/25/39/604542539.db2.gz JZLGUCNSIRHDTR-PXTQAZKISA-N -1 0 365.390 -0.197 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)CN1C(=O)N[C@](C)(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000833638675 604542599 /nfs/dbraw/zinc/54/25/99/604542599.db2.gz JZLGUCNSIRHDTR-RVIYUIFMSA-N -1 0 365.390 -0.197 20 0 FBADRM CC[C@@H](C)[C@H](NC(=O)CN1CCN(Cc2nnc(C)[nH]2)CC1)C(=O)[O-] ZINC000833640061 605144040 /nfs/dbraw/zinc/14/40/40/605144040.db2.gz TVMLOTBVKAGGTI-ABAIWWIYSA-N -1 0 352.439 -0.154 20 0 FBADRM CC[C@@H](C)[C@@H](NC(=O)CN1CCN(Cc2nnc(C)[nH]2)CC1)C(=O)[O-] ZINC000833640062 605144116 /nfs/dbraw/zinc/14/41/16/605144116.db2.gz TVMLOTBVKAGGTI-IAQYHMDHSA-N -1 0 352.439 -0.154 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)CN1CCN(Cc2nnc(C)[nH]2)CC1)C(=O)[O-] ZINC000833640063 605143961 /nfs/dbraw/zinc/14/39/61/605143961.db2.gz TVMLOTBVKAGGTI-NHYWBVRUSA-N -1 0 352.439 -0.154 20 0 FBADRM CC[C@H](C)[C@@H](NC(=O)CN1CCN(Cc2nnc(C)[nH]2)CC1)C(=O)[O-] ZINC000833640064 605144001 /nfs/dbraw/zinc/14/40/01/605144001.db2.gz TVMLOTBVKAGGTI-XHDPSFHLSA-N -1 0 352.439 -0.154 20 0 FBADRM CCCN(C(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000833651261 604958775 /nfs/dbraw/zinc/95/87/75/604958775.db2.gz IQPIJRLIINSUFB-AXFHLTTASA-N -1 0 364.420 0.000 20 0 FBADRM CCCN(C(=O)[C@H](C)OC(=O)[C@H](C)NC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000833651262 604959099 /nfs/dbraw/zinc/95/90/99/604959099.db2.gz IQPIJRLIINSUFB-DCAQKATOSA-N -1 0 364.420 0.000 20 0 FBADRM CCCN(C(=O)[C@H](C)OC(=O)[C@H](C)NC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000833651263 604958831 /nfs/dbraw/zinc/95/88/31/604958831.db2.gz IQPIJRLIINSUFB-GARJFASQSA-N -1 0 364.420 0.000 20 0 FBADRM CCCN(C(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000833651264 604958777 /nfs/dbraw/zinc/95/87/77/604958777.db2.gz IQPIJRLIINSUFB-HBNTYKKESA-N -1 0 364.420 0.000 20 0 FBADRM CCN(CC)C(=O)CN1CCN(CCc2cn(CC(=O)[O-])nn2)CC1 ZINC000833653686 604860366 /nfs/dbraw/zinc/86/03/66/604860366.db2.gz CIFBVRMHVOKHAV-UHFFFAOYSA-N -1 0 352.439 -0.609 20 0 FBADRM CCNC(=O)NC1(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)CCCC1 ZINC000833656985 605539608 /nfs/dbraw/zinc/53/96/08/605539608.db2.gz JSOJFKBJJROYHT-UHFFFAOYSA-N -1 0 350.379 -0.009 20 0 FBADRM CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)cn1 ZINC000833657028 605035532 /nfs/dbraw/zinc/03/55/32/605035532.db2.gz PUUANKAKLRFTRW-UHFFFAOYSA-N -1 0 367.362 -0.402 20 0 FBADRM CCOC(=O)Cn1cccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1=O ZINC000833659337 604493691 /nfs/dbraw/zinc/49/36/91/604493691.db2.gz VXGNCWRRWJIHHF-SECBINFHSA-N -1 0 353.331 -0.813 20 0 FBADRM CCOC(=O)Cn1cccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1=O ZINC000833659338 604493687 /nfs/dbraw/zinc/49/36/87/604493687.db2.gz VXGNCWRRWJIHHF-VIFPVBQESA-N -1 0 353.331 -0.813 20 0 FBADRM CCOC(=O)Cn1cccc(NC(=O)C(=O)NCC(C)(C)C(=O)[O-])c1=O ZINC000833659362 604493865 /nfs/dbraw/zinc/49/38/65/604493865.db2.gz WZOFCAANIQHZMG-UHFFFAOYSA-N -1 0 367.358 -0.423 20 0 FBADRM CCO[C@H]1C[C@@H](O)C12CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC2 ZINC000833659732 605039367 /nfs/dbraw/zinc/03/93/67/605039367.db2.gz GDBKFSXXLCHZMF-NEPJUHHUSA-N -1 0 350.437 -0.110 20 0 FBADRM CCO[C@@H]1C[C@H](O)C12CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC2 ZINC000833659733 605039258 /nfs/dbraw/zinc/03/92/58/605039258.db2.gz GDBKFSXXLCHZMF-NWDGAFQWSA-N -1 0 350.437 -0.110 20 0 FBADRM CCO[C@H]1C[C@H](O)C12CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC2 ZINC000833659734 605039236 /nfs/dbraw/zinc/03/92/36/605039236.db2.gz GDBKFSXXLCHZMF-RYUDHWBXSA-N -1 0 350.437 -0.110 20 0 FBADRM CCO[C@@H]1C[C@@H](O)C12CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC2 ZINC000833659735 605039436 /nfs/dbraw/zinc/03/94/36/605039436.db2.gz GDBKFSXXLCHZMF-VXGBXAGGSA-N -1 0 350.437 -0.110 20 0 FBADRM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000833661724 605041682 /nfs/dbraw/zinc/04/16/82/605041682.db2.gz HUKFNXYRTCPKJI-JTQLQIEISA-N -1 0 353.331 -0.059 20 0 FBADRM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)Cn1ncn(C)c1=O ZINC000833661792 605450534 /nfs/dbraw/zinc/45/05/34/605450534.db2.gz JPIXYROGTZRHSG-UHFFFAOYSA-N -1 0 352.347 -0.062 20 0 FBADRM CCOc1cc(C(=O)N2CCOC[C@@H]2C(N)=O)ccc1OCC(=O)[O-] ZINC000833661932 604743453 /nfs/dbraw/zinc/74/34/53/604743453.db2.gz YFIORDPJDVBQSP-LLVKDONJSA-N -1 0 352.343 -0.125 20 0 FBADRM CCOc1cc(C(=O)N2CCOC[C@H]2C(N)=O)ccc1OCC(=O)[O-] ZINC000833661933 604743392 /nfs/dbraw/zinc/74/33/92/604743392.db2.gz YFIORDPJDVBQSP-NSHDSACASA-N -1 0 352.343 -0.125 20 0 FBADRM CCOc1cc(C(=O)N2CCN(C(=O)CO)CC2)ccc1OCC(=O)[O-] ZINC000833661977 605081899 /nfs/dbraw/zinc/08/18/99/605081899.db2.gz ZRTWMSFRYRPNDF-UHFFFAOYSA-N -1 0 366.370 -0.175 20 0 FBADRM CCOc1cc(C(=O)NC[C@@H](C)S(N)(=O)=O)ccc1OCC(=O)[O-] ZINC000833663143 604555829 /nfs/dbraw/zinc/55/58/29/604555829.db2.gz MXMFHXLDNNYQTJ-SECBINFHSA-N -1 0 360.388 -0.045 20 0 FBADRM CCOc1cc(C(=O)NC[C@H](C)S(N)(=O)=O)ccc1OCC(=O)[O-] ZINC000833663149 604555702 /nfs/dbraw/zinc/55/57/02/604555702.db2.gz MXMFHXLDNNYQTJ-VIFPVBQESA-N -1 0 360.388 -0.045 20 0 FBADRM CCOc1cc(C(=O)NCCN2CCNC(=O)C2)ccc1OCC(=O)[O-] ZINC000833663686 605865596 /nfs/dbraw/zinc/86/55/96/605865596.db2.gz URFJBQUVJIZJHM-UHFFFAOYSA-N -1 0 365.386 -0.290 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000833665199 605888795 /nfs/dbraw/zinc/88/87/95/605888795.db2.gz CCEIDRZVYAPSAR-UHFFFAOYSA-N -1 0 361.351 -0.482 20 0 FBADRM CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000833665214 605017204 /nfs/dbraw/zinc/01/72/04/605017204.db2.gz CYQXHHOQSOETLB-UHFFFAOYSA-N -1 0 371.824 -0.349 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)C(=O)Nc1scc(C(=O)[O-])c1C ZINC000833665216 605183943 /nfs/dbraw/zinc/18/39/43/605183943.db2.gz DGSRUQONQBMMFX-UHFFFAOYSA-N -1 0 363.417 -0.251 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC000833665323 605888741 /nfs/dbraw/zinc/88/87/41/605888741.db2.gz GNNRXNJKEPVDDY-UHFFFAOYSA-N -1 0 373.387 -0.613 20 0 FBADRM CCS(=O)(=O)CCN(C)C(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000833665388 604758983 /nfs/dbraw/zinc/75/89/83/604758983.db2.gz HJACMKPANUCWFR-UHFFFAOYSA-N -1 0 372.399 -0.018 20 0 FBADRM CCS(=O)(=O)CCN(C)C(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000833665432 604762084 /nfs/dbraw/zinc/76/20/84/604762084.db2.gz IBDWYRRWCVCRGV-UHFFFAOYSA-N -1 0 372.399 -0.018 20 0 FBADRM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000833665433 605028159 /nfs/dbraw/zinc/02/81/59/605028159.db2.gz IBEHDSRMUNODET-SECBINFHSA-N -1 0 359.404 -0.057 20 0 FBADRM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000833665435 605028227 /nfs/dbraw/zinc/02/82/27/605028227.db2.gz IBEHDSRMUNODET-VIFPVBQESA-N -1 0 359.404 -0.057 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000833665629 605888746 /nfs/dbraw/zinc/88/87/46/605888746.db2.gz KQBVDUCWFWTDJU-UHFFFAOYSA-N -1 0 361.351 -0.482 20 0 FBADRM CCS(=O)(=O)NCc1ccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000833665632 605284927 /nfs/dbraw/zinc/28/49/27/605284927.db2.gz KYHKCBUJHVKOQD-OLZOCXBDSA-N -1 0 356.400 -0.214 20 0 FBADRM CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC000833665695 605194782 /nfs/dbraw/zinc/19/47/82/605194782.db2.gz MILOMXLJKJPNML-UHFFFAOYSA-N -1 0 350.418 -0.089 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC000833665788 605889085 /nfs/dbraw/zinc/88/90/85/605889085.db2.gz OAYJTMZZNCWYQY-UHFFFAOYSA-N -1 0 373.387 -0.613 20 0 FBADRM CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)cc1 ZINC000833665819 605035579 /nfs/dbraw/zinc/03/55/79/605035579.db2.gz OGDIGIURVGEZIF-UHFFFAOYSA-N -1 0 370.387 -0.135 20 0 FBADRM CCS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC000833665988 605019957 /nfs/dbraw/zinc/01/99/57/605019957.db2.gz NZNWRRKBHNZMQE-GFCCVEGCSA-N -1 0 354.384 -0.105 20 0 FBADRM CCS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC000833665989 605020195 /nfs/dbraw/zinc/02/01/95/605020195.db2.gz NZNWRRKBHNZMQE-LBPRGKRZSA-N -1 0 354.384 -0.105 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000833666057 605889136 /nfs/dbraw/zinc/88/91/36/605889136.db2.gz RKBYFYVSYXTPCE-UHFFFAOYSA-N -1 0 357.388 -0.313 20 0 FBADRM CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC000833666064 604684748 /nfs/dbraw/zinc/68/47/48/604684748.db2.gz RNKVMCCLKBTSAJ-UHFFFAOYSA-N -1 0 354.381 -0.259 20 0 FBADRM CCS(=O)(=O)NCCNS(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC000833666088 605017479 /nfs/dbraw/zinc/01/74/79/605017479.db2.gz SUQRLNPGNHAMFQ-UHFFFAOYSA-N -1 0 350.418 -0.257 20 0 FBADRM CCS(=O)(=O)NCCNS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000833666128 605017526 /nfs/dbraw/zinc/01/75/26/605017526.db2.gz UQDNLTSWELUUOY-UHFFFAOYSA-N -1 0 354.381 -0.259 20 0 FBADRM CCS(=O)(=O)NCCNS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000833666182 605017509 /nfs/dbraw/zinc/01/75/09/605017509.db2.gz VXBWNAWYROHZPL-UHFFFAOYSA-N -1 0 350.418 -0.089 20 0 FBADRM CCS(=O)(=O)NCCNS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833666199 605017429 /nfs/dbraw/zinc/01/74/29/605017429.db2.gz XDRUZYVVDCBDJN-UHFFFAOYSA-N -1 0 354.381 -0.259 20 0 FBADRM CCS(=O)(=O)NCCNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000833666256 605198039 /nfs/dbraw/zinc/19/80/39/605198039.db2.gz YYKBOEGVJHCTHC-UHFFFAOYSA-N -1 0 354.381 -0.259 20 0 FBADRM CCS(=O)(=O)c1ccc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)cc1 ZINC000833666508 605034787 /nfs/dbraw/zinc/03/47/87/605034787.db2.gz ZZSBCBOQQMJOFX-UHFFFAOYSA-N -1 0 355.372 -0.103 20 0 FBADRM CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)CC2 ZINC000833677117 605030628 /nfs/dbraw/zinc/03/06/28/605030628.db2.gz DCSVRPYATUAJPV-SECBINFHSA-N -1 0 360.374 -0.053 20 0 FBADRM CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)CC2 ZINC000833677118 605030357 /nfs/dbraw/zinc/03/03/57/605030357.db2.gz DCSVRPYATUAJPV-VIFPVBQESA-N -1 0 360.374 -0.053 20 0 FBADRM CCc1oc(C(=O)[O-])cc1CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000833677639 605143943 /nfs/dbraw/zinc/14/39/43/605143943.db2.gz AEPUZTGQQVFNFC-CHWSQXEVSA-N -1 0 372.443 -0.184 20 0 FBADRM CCc1oc(C(=O)[O-])cc1CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000833677640 605143513 /nfs/dbraw/zinc/14/35/13/605143513.db2.gz AEPUZTGQQVFNFC-OLZOCXBDSA-N -1 0 372.443 -0.184 20 0 FBADRM CCc1oc(C(=O)[O-])cc1CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000833677641 605143221 /nfs/dbraw/zinc/14/32/21/605143221.db2.gz AEPUZTGQQVFNFC-QWHCGFSZSA-N -1 0 372.443 -0.184 20 0 FBADRM CCc1oc(C(=O)[O-])cc1CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000833677642 605143276 /nfs/dbraw/zinc/14/32/76/605143276.db2.gz AEPUZTGQQVFNFC-STQMWFEESA-N -1 0 372.443 -0.184 20 0 FBADRM CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])CC2 ZINC000833677862 605028584 /nfs/dbraw/zinc/02/85/84/605028584.db2.gz YISYYEKINIHQQV-MRVPVSSYSA-N -1 0 354.392 -0.136 20 0 FBADRM CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])CC2 ZINC000833677863 605028788 /nfs/dbraw/zinc/02/87/88/605028788.db2.gz YISYYEKINIHQQV-QMMMGPOBSA-N -1 0 354.392 -0.136 20 0 FBADRM CCc1nn(C)cc1NC(=O)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000833678382 605029832 /nfs/dbraw/zinc/02/98/32/605029832.db2.gz PXFWNUMOBOTIHP-LLVKDONJSA-N -1 0 351.407 -0.072 20 0 FBADRM CCc1nn(C)cc1NC(=O)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000833678383 605029691 /nfs/dbraw/zinc/02/96/91/605029691.db2.gz PXFWNUMOBOTIHP-NSHDSACASA-N -1 0 351.407 -0.072 20 0 FBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NCCCN1C(=O)CNC1=O ZINC000833681799 605430284 /nfs/dbraw/zinc/43/02/84/605430284.db2.gz ACRSEMVIBZLZED-UHFFFAOYSA-N -1 0 359.360 -0.240 20 0 FBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NCCCNS(C)(=O)=O ZINC000833681909 605425095 /nfs/dbraw/zinc/42/50/95/605425095.db2.gz CEVNQKCYFVDAFY-UHFFFAOYSA-N -1 0 354.406 -0.242 20 0 FBADRM CCn1cc(S(=O)(=O)N(CCN2CCOCC2)CC(=O)[O-])nc1C ZINC000833682322 604464059 /nfs/dbraw/zinc/46/40/59/604464059.db2.gz QMCQJOFLZWBHAT-UHFFFAOYSA-N -1 0 360.436 -0.381 20 0 FBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](O)CN1CCOCC1 ZINC000833682683 605440150 /nfs/dbraw/zinc/44/01/50/605440150.db2.gz JODCJDAFVRDTAG-JTQLQIEISA-N -1 0 362.404 -0.488 20 0 FBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](O)CN1CCOCC1 ZINC000833682703 605440154 /nfs/dbraw/zinc/44/01/54/605440154.db2.gz JODCJDAFVRDTAG-SNVBAGLBSA-N -1 0 362.404 -0.488 20 0 FBADRM CCn1c(N)c(C(=O)CN2CC[C@@H](OC)C[C@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC000833682709 605387898 /nfs/dbraw/zinc/38/78/98/605387898.db2.gz DBHNMJHFPCRVII-BDAKNGLRSA-N -1 0 354.363 -0.702 20 0 FBADRM CCn1c(N)c(C(=O)CN2CC[C@H](OC)C[C@@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC000833682718 605387450 /nfs/dbraw/zinc/38/74/50/605387450.db2.gz DBHNMJHFPCRVII-DTWKUNHWSA-N -1 0 354.363 -0.702 20 0 FBADRM CCn1c(N)c(C(=O)CN2CC[C@H](OC)C[C@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC000833682722 605388146 /nfs/dbraw/zinc/38/81/46/605388146.db2.gz DBHNMJHFPCRVII-IUCAKERBSA-N -1 0 354.363 -0.702 20 0 FBADRM CCn1c(N)c(C(=O)CN2CC[C@@H](OC)C[C@@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC000833682725 605387287 /nfs/dbraw/zinc/38/72/87/605387287.db2.gz DBHNMJHFPCRVII-RKDXNWHRSA-N -1 0 354.363 -0.702 20 0 FBADRM CCn1c(N)c(C(=O)CN2CCSC[C@H]2CC(=O)[O-])c(=O)[nH]c1=O ZINC000833683638 604920071 /nfs/dbraw/zinc/92/00/71/604920071.db2.gz JWURPVIDMXVHAP-MRVPVSSYSA-N -1 0 356.404 -0.374 20 0 FBADRM CCn1c(N)c(C(=O)CN2CCSC[C@@H]2CC(=O)[O-])c(=O)[nH]c1=O ZINC000833683641 604920306 /nfs/dbraw/zinc/92/03/06/604920306.db2.gz JWURPVIDMXVHAP-QMMMGPOBSA-N -1 0 356.404 -0.374 20 0 FBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H](CC(=O)OC)C(=O)OC ZINC000833683871 605426788 /nfs/dbraw/zinc/42/67/88/605426788.db2.gz VVQSHSOTJHIOGU-SSDOTTSWSA-N -1 0 363.344 -0.077 20 0 FBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NCCC(=O)N1CCN(C)CC1 ZINC000833683875 605426835 /nfs/dbraw/zinc/42/68/35/605426835.db2.gz WSVANDFVBPYQGY-UHFFFAOYSA-N -1 0 373.431 -0.017 20 0 FBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)OC ZINC000833683880 605427101 /nfs/dbraw/zinc/42/71/01/605427101.db2.gz VVQSHSOTJHIOGU-ZETCQYMHSA-N -1 0 363.344 -0.077 20 0 FBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC1CCN(CC(N)=O)CC1 ZINC000833683989 605427052 /nfs/dbraw/zinc/42/70/52/605427052.db2.gz XTFGSYZJDJHFQR-UHFFFAOYSA-N -1 0 359.404 -0.232 20 0 FBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NCCCN1CCNC(=O)C1 ZINC000833683990 605442447 /nfs/dbraw/zinc/44/24/47/605442447.db2.gz YKEFQSKWIQCQBR-UHFFFAOYSA-N -1 0 359.404 -0.360 20 0 FBADRM CCn1c(N)c(C(=O)CN(C)[C@H](COC(C)C)C(=O)[O-])c(=O)[nH]c1=O ZINC000833684229 604920715 /nfs/dbraw/zinc/92/07/15/604920715.db2.gz UBDJZZKFGHCUPO-SECBINFHSA-N -1 0 356.379 -0.456 20 0 FBADRM CCn1c(N)c(C(=O)CN(C)[C@@H](COC(C)C)C(=O)[O-])c(=O)[nH]c1=O ZINC000833684230 604921106 /nfs/dbraw/zinc/92/11/06/604921106.db2.gz UBDJZZKFGHCUPO-VIFPVBQESA-N -1 0 356.379 -0.456 20 0 FBADRM CN(C(=O)CN1CCN(S(C)(=O)=O)CC1)C1(C(=O)[O-])CCCCC1 ZINC000833684656 604874653 /nfs/dbraw/zinc/87/46/53/604874653.db2.gz MFGKSJSJZKZQIL-UHFFFAOYSA-N -1 0 361.464 -0.191 20 0 FBADRM CN(C(=O)CNS(=O)(=O)c1cn(C)cn1)C1(C(=O)[O-])CCCCC1 ZINC000833685107 604874469 /nfs/dbraw/zinc/87/44/69/604874469.db2.gz AQHJANAZFRTBMB-UHFFFAOYSA-N -1 0 358.420 -0.056 20 0 FBADRM CN(C(=O)CNS(=O)(=O)c1cnn(C)c1)C1(C(=O)[O-])CCCCC1 ZINC000833685217 604874502 /nfs/dbraw/zinc/87/45/02/604874502.db2.gz CSWYJFWJADAKLJ-UHFFFAOYSA-N -1 0 358.420 -0.056 20 0 FBADRM CN(C(=O)CN1CCS(=O)(=O)CC1)c1ccc(OCC(=O)[O-])cc1 ZINC000833685727 605455440 /nfs/dbraw/zinc/45/54/40/605455440.db2.gz LDTRFKHBKZUKIT-UHFFFAOYSA-N -1 0 356.400 -0.157 20 0 FBADRM CN(C(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1)[C@@H]1CCNC1=O ZINC000833686043 604881366 /nfs/dbraw/zinc/88/13/66/604881366.db2.gz LCYWBQGVBSOVQR-CYBMUJFWSA-N -1 0 358.354 -0.247 20 0 FBADRM CN(C(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1)[C@H]1CCNC1=O ZINC000833686045 604881692 /nfs/dbraw/zinc/88/16/92/604881692.db2.gz LCYWBQGVBSOVQR-ZDUSSCGKSA-N -1 0 358.354 -0.247 20 0 FBADRM CN(C)C(=O)c1cc(S(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)cn1C ZINC000833687154 605060147 /nfs/dbraw/zinc/06/01/47/605060147.db2.gz JBNUAJOERVTPIB-CYBMUJFWSA-N -1 0 361.445 -0.035 20 0 FBADRM CN(C)C(=O)c1cc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCSC2)cn1C ZINC000833687155 605060217 /nfs/dbraw/zinc/06/02/17/605060217.db2.gz JBNUAJOERVTPIB-ZDUSSCGKSA-N -1 0 361.445 -0.035 20 0 FBADRM CN(C)C(=O)CCN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000833687312 604699883 /nfs/dbraw/zinc/69/98/83/604699883.db2.gz DVJMBPXURXCEFO-UHFFFAOYSA-N -1 0 370.431 -0.436 20 0 FBADRM CN(C)C(=O)c1cc(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)cn1C ZINC000833687328 605060132 /nfs/dbraw/zinc/06/01/32/605060132.db2.gz MZQUJDRBSOKOOR-JTQLQIEISA-N -1 0 359.404 -0.409 20 0 FBADRM CN(C)C(=O)c1cc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)cn1C ZINC000833687329 605060476 /nfs/dbraw/zinc/06/04/76/605060476.db2.gz MZQUJDRBSOKOOR-SNVBAGLBSA-N -1 0 359.404 -0.409 20 0 FBADRM CN(C)C(=O)CCN1CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000833687672 605211784 /nfs/dbraw/zinc/21/17/84/605211784.db2.gz OXEIYVQQAOJPAX-UHFFFAOYSA-N -1 0 359.404 -0.238 20 0 FBADRM CN(C)C(=O)CC1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000833687825 605866357 /nfs/dbraw/zinc/86/63/57/605866357.db2.gz WHWABRZTTGKLGY-UHFFFAOYSA-N -1 0 358.420 -0.153 20 0 FBADRM CN(C)C(=O)COc1cccc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)c1 ZINC000833687880 605035408 /nfs/dbraw/zinc/03/54/08/605035408.db2.gz ACBOSPVPYSXGHL-UHFFFAOYSA-N -1 0 364.358 -0.430 20 0 FBADRM CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])C1 ZINC000833687895 605058529 /nfs/dbraw/zinc/05/85/29/605058529.db2.gz AZBFXNHGTUECFD-UHFFFAOYSA-N -1 0 367.333 -0.222 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000833687908 605034211 /nfs/dbraw/zinc/03/42/11/605034211.db2.gz BSZOJPURALFOCW-UHFFFAOYSA-N -1 0 362.386 -0.444 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1 ZINC000833687915 605089707 /nfs/dbraw/zinc/08/97/07/605089707.db2.gz CBSWMZCJTZWJHA-UHFFFAOYSA-N -1 0 370.450 -0.280 20 0 FBADRM CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])C1 ZINC000833687948 605058570 /nfs/dbraw/zinc/05/85/70/605058570.db2.gz DNGDYVFWZXMHLX-UHFFFAOYSA-N -1 0 367.333 -0.222 20 0 FBADRM CN(C)C(=O)CN1CCC(NS(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000833687955 605202912 /nfs/dbraw/zinc/20/29/12/605202912.db2.gz DTJLJIWEVVTIKK-UHFFFAOYSA-N -1 0 359.404 -0.191 20 0 FBADRM CN(C)C(=O)COc1ccc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)cc1 ZINC000833687970 605035603 /nfs/dbraw/zinc/03/56/03/605035603.db2.gz FEGLSGKXRYWAKF-UHFFFAOYSA-N -1 0 364.358 -0.430 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000833687995 605034255 /nfs/dbraw/zinc/03/42/55/605034255.db2.gz GIHBGIHWUKRSTL-UHFFFAOYSA-N -1 0 368.415 -0.383 20 0 FBADRM CN(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000833688006 604686167 /nfs/dbraw/zinc/68/61/67/604686167.db2.gz GVKVESFBHWVHTR-UHFFFAOYSA-N -1 0 356.404 -0.826 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2ccsc2C(=O)[O-])CC1 ZINC000833688026 605481210 /nfs/dbraw/zinc/48/12/10/605481210.db2.gz IBVNRJAODSPYGV-UHFFFAOYSA-N -1 0 368.415 -0.383 20 0 FBADRM CN(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2C(=O)[O-])CC1 ZINC000833688048 604681991 /nfs/dbraw/zinc/68/19/91/604681991.db2.gz JJCZSMVXEYXPJH-UHFFFAOYSA-N -1 0 373.406 -0.082 20 0 FBADRM CN(C)C(=O)CN1CCN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)CC1 ZINC000833688053 605198107 /nfs/dbraw/zinc/19/81/07/605198107.db2.gz JXDYUBCLAHDHLT-UHFFFAOYSA-N -1 0 373.406 -0.082 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)CN2CCCCC[C@H]2C(=O)[O-])CC1 ZINC000833688056 605851807 /nfs/dbraw/zinc/85/18/07/605851807.db2.gz KADNXDCYUUQKNL-AWEZNQCLSA-N -1 0 354.451 -0.452 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)CN2CCCCC[C@@H]2C(=O)[O-])CC1 ZINC000833688057 605851434 /nfs/dbraw/zinc/85/14/34/605851434.db2.gz KADNXDCYUUQKNL-CQSZACIVSA-N -1 0 354.451 -0.452 20 0 FBADRM CN(C)C(=O)CN1CCC(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000833688209 604693932 /nfs/dbraw/zinc/69/39/32/604693932.db2.gz LNBFLJHTEMAYAL-UHFFFAOYSA-N -1 0 370.431 -0.389 20 0 FBADRM CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000833688232 605035423 /nfs/dbraw/zinc/03/54/23/605035423.db2.gz MRQMJDNQOJWGMC-UHFFFAOYSA-N -1 0 367.333 -0.222 20 0 FBADRM CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000833688243 605035589 /nfs/dbraw/zinc/03/55/89/605035589.db2.gz NCQRMRFHEWKHSK-UHFFFAOYSA-N -1 0 367.333 -0.222 20 0 FBADRM CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000833688292 605035436 /nfs/dbraw/zinc/03/54/36/605035436.db2.gz OIVJLFXPSKLRAZ-UHFFFAOYSA-N -1 0 355.372 -0.300 20 0 FBADRM CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)NC[C@H](O)C(=O)[O-] ZINC000833688328 605469970 /nfs/dbraw/zinc/46/99/70/605469970.db2.gz PESBGETWOJTNBR-JTQLQIEISA-N -1 0 360.313 -0.193 20 0 FBADRM CN(C)C(=O)CN1CCN(CC(=O)Nc2nc(CC(=O)[O-])cs2)CC1 ZINC000833688344 605782464 /nfs/dbraw/zinc/78/24/64/605782464.db2.gz PPJBOLDDZNHQTE-UHFFFAOYSA-N -1 0 369.447 -0.586 20 0 FBADRM CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000833688359 605035557 /nfs/dbraw/zinc/03/55/57/605035557.db2.gz QGQPOCONROIXMT-UHFFFAOYSA-N -1 0 367.333 -0.222 20 0 FBADRM CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC000833688516 605035397 /nfs/dbraw/zinc/03/53/97/605035397.db2.gz SSDXTPVBQLHLBJ-UHFFFAOYSA-N -1 0 363.370 -0.432 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2sccc2C(=O)[O-])CC1 ZINC000833688524 605034175 /nfs/dbraw/zinc/03/41/75/605034175.db2.gz SWVLVRWXZSYKMR-UHFFFAOYSA-N -1 0 368.415 -0.383 20 0 FBADRM CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2sccc2C(=O)[O-])C1 ZINC000833688525 605035586 /nfs/dbraw/zinc/03/55/86/605035586.db2.gz SXOPSXYITKSSMC-UHFFFAOYSA-N -1 0 355.372 -0.300 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)COC(=O)CC(C)(C)CC(=O)[O-])CC1 ZINC000833688534 605031631 /nfs/dbraw/zinc/03/16/31/605031631.db2.gz UFHVYJLCPWHUFV-UHFFFAOYSA-N -1 0 371.434 -0.347 20 0 FBADRM CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)N[C@@H](CO)C(=O)[O-] ZINC000833688553 605472226 /nfs/dbraw/zinc/47/22/26/605472226.db2.gz VHQNGEFQHJXSHT-JTQLQIEISA-N -1 0 360.313 -0.193 20 0 FBADRM CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)N[C@H](CO)C(=O)[O-] ZINC000833688554 605420440 /nfs/dbraw/zinc/42/04/40/605420440.db2.gz VHQNGEFQHJXSHT-SNVBAGLBSA-N -1 0 360.313 -0.193 20 0 FBADRM CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000833688569 605034202 /nfs/dbraw/zinc/03/42/02/605034202.db2.gz WCEJRDGRVAWQHC-UHFFFAOYSA-N -1 0 362.386 -0.444 20 0 FBADRM CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2ccsc2C(=O)[O-])C1 ZINC000833688654 605480857 /nfs/dbraw/zinc/48/08/57/605480857.db2.gz WQBPKEASEJURLJ-UHFFFAOYSA-N -1 0 355.372 -0.300 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1 ZINC000833689476 605533295 /nfs/dbraw/zinc/53/32/95/605533295.db2.gz COLLEWHGPDQSGZ-UHFFFAOYSA-N -1 0 368.375 -0.748 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)n(C)c1 ZINC000833689552 605458171 /nfs/dbraw/zinc/45/81/71/605458171.db2.gz HFPWJQUUACYVGS-JTQLQIEISA-N -1 0 359.404 -0.409 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)n(C)c1 ZINC000833689553 605458179 /nfs/dbraw/zinc/45/81/79/605458179.db2.gz HFPWJQUUACYVGS-SNVBAGLBSA-N -1 0 359.404 -0.409 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)n(C)c1 ZINC000833689609 605457477 /nfs/dbraw/zinc/45/74/77/605457477.db2.gz KKWRLDUEPRGBRO-UHFFFAOYSA-N -1 0 373.431 -0.019 20 0 FBADRM CN(C)S(=O)(=O)CCC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000833689650 605098685 /nfs/dbraw/zinc/09/86/85/605098685.db2.gz MUFMFWYZXAYTAH-UHFFFAOYSA-N -1 0 357.388 -0.279 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)Nc2cncc(C(=O)[O-])c2)CC1 ZINC000833689757 605177953 /nfs/dbraw/zinc/17/79/53/605177953.db2.gz UYVSFQXREBLJHB-UHFFFAOYSA-N -1 0 357.392 -0.264 20 0 FBADRM CN(C)S(=O)(=O)CC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000833689762 605509005 /nfs/dbraw/zinc/50/90/05/605509005.db2.gz VIQMSZVGZPWNMW-UHFFFAOYSA-N -1 0 357.388 -0.740 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)co1 ZINC000833689787 605535153 /nfs/dbraw/zinc/53/51/53/605535153.db2.gz WOLXYJMHPABZMY-UHFFFAOYSA-N -1 0 369.359 -0.483 20 0 FBADRM CN(C)S(=O)(=O)CCC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000833689831 605102550 /nfs/dbraw/zinc/10/25/50/605102550.db2.gz ZSUJQMUVJZPRKQ-UHFFFAOYSA-N -1 0 371.415 -0.350 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)CN[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000833690542 604488774 /nfs/dbraw/zinc/48/87/74/604488774.db2.gz AQGBINOQRWSFOK-HNNXBMFYSA-N -1 0 371.415 -0.291 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)CN[C@]2(C(=O)[O-])CCOC2)c1 ZINC000833690543 604488790 /nfs/dbraw/zinc/48/87/90/604488790.db2.gz AQGBINOQRWSFOK-OAHLLOKOSA-N -1 0 371.415 -0.291 20 0 FBADRM CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000833691462 605028183 /nfs/dbraw/zinc/02/81/83/605028183.db2.gz CMRSZMUVQXNRDC-UHFFFAOYSA-N -1 0 356.466 -0.217 20 0 FBADRM CN(CC(C)(CO)CO)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000833691471 604987592 /nfs/dbraw/zinc/98/75/92/604987592.db2.gz CXDMKWCAPCCNAH-UHFFFAOYSA-N -1 0 353.375 -0.044 20 0 FBADRM CN(CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])S(=O)(=O)c1ccccc1 ZINC000833692057 604897700 /nfs/dbraw/zinc/89/77/00/604897700.db2.gz KGWYCLLNIXBTTA-ZDUSSCGKSA-N -1 0 366.399 -0.158 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)c1 ZINC000833692278 605034807 /nfs/dbraw/zinc/03/48/07/605034807.db2.gz ZSMNQIJKUHLKER-UHFFFAOYSA-N -1 0 370.387 -0.646 20 0 FBADRM CN(CC(C)(CO)CO)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000833692338 604987590 /nfs/dbraw/zinc/98/75/90/604987590.db2.gz OSEPFABNUALRCM-UHFFFAOYSA-N -1 0 367.402 -0.116 20 0 FBADRM CN(CC(=O)N[C@@H](CO)C(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000833692392 605280445 /nfs/dbraw/zinc/28/04/45/605280445.db2.gz OGJHHTFAHFONKF-JTQLQIEISA-N -1 0 350.780 -0.478 20 0 FBADRM CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000833692697 605034153 /nfs/dbraw/zinc/03/41/53/605034153.db2.gz VRBZPQJLZKRKAE-UHFFFAOYSA-N -1 0 359.404 -0.057 20 0 FBADRM CN(CC(C)(C)CN1CCOCC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833692736 605078994 /nfs/dbraw/zinc/07/89/94/605078994.db2.gz WZMMXYWSPHAEKA-UHFFFAOYSA-N -1 0 374.463 -0.053 20 0 FBADRM CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833692822 605028215 /nfs/dbraw/zinc/02/82/15/605028215.db2.gz ZQLNCGQJRNLUCX-UHFFFAOYSA-N -1 0 353.422 -0.589 20 0 FBADRM CN(Cc1ccc(NC(=O)C(=O)NCCc2nnnn2C)cc1)C(=O)[O-] ZINC000833695514 604920400 /nfs/dbraw/zinc/92/04/00/604920400.db2.gz OUZMILUKSWGYBO-UHFFFAOYSA-N -1 0 361.362 -0.383 20 0 FBADRM CN(Cc1ccc(NC(=O)C(=O)NCCC(=O)NC(N)=O)cc1)C(=O)[O-] ZINC000833695999 605035414 /nfs/dbraw/zinc/03/54/14/605035414.db2.gz ZRHFFUUQWWEMQT-UHFFFAOYSA-N -1 0 365.346 -0.564 20 0 FBADRM CN1CCN(C(=O)CCNS(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC000833697132 605018462 /nfs/dbraw/zinc/01/84/62/605018462.db2.gz BFDILUJANNZPBV-UHFFFAOYSA-N -1 0 362.433 -0.716 20 0 FBADRM CN1CCN(C(=O)CCNS(=O)(=O)c2cccc(F)c2C(=O)[O-])CC1 ZINC000833697370 605018714 /nfs/dbraw/zinc/01/87/14/605018714.db2.gz GYXIXSUHVFWPRL-UHFFFAOYSA-N -1 0 373.406 -0.034 20 0 FBADRM CN1CCN(C(=O)CC2CCN(CN3C[C@@H](C(=O)[O-])CC3=O)CC2)CC1 ZINC000833697384 605174185 /nfs/dbraw/zinc/17/41/85/605174185.db2.gz HOUNXZJKVNWWHR-HNNXBMFYSA-N -1 0 366.462 -0.247 20 0 FBADRM CN1CCN(C(=O)CC2CCN(CN3C[C@H](C(=O)[O-])CC3=O)CC2)CC1 ZINC000833697385 605173915 /nfs/dbraw/zinc/17/39/15/605173915.db2.gz HOUNXZJKVNWWHR-OAHLLOKOSA-N -1 0 366.462 -0.247 20 0 FBADRM CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2C(=O)[O-])CC1 ZINC000833697394 604684750 /nfs/dbraw/zinc/68/47/50/604684750.db2.gz IDKCIZWLMJHIGT-UHFFFAOYSA-N -1 0 373.406 -0.034 20 0 FBADRM CN1CCN(C(=O)CCNS(=O)(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC000833697447 605018671 /nfs/dbraw/zinc/01/86/71/605018671.db2.gz KFRSSGGNLKPXOM-UHFFFAOYSA-N -1 0 369.443 -0.032 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)C(=O)Nc2ccsc2C(=O)[O-])CC1 ZINC000833697706 605453355 /nfs/dbraw/zinc/45/33/55/605453355.db2.gz OZWUDCUNRWJRGF-UHFFFAOYSA-N -1 0 368.415 -0.335 20 0 FBADRM CN1CCN(C(=O)CCNS(=O)(=O)c2cc(F)ccc2C(=O)[O-])CC1 ZINC000833697755 605019411 /nfs/dbraw/zinc/01/94/11/605019411.db2.gz QXHRBDXWGOYDGI-UHFFFAOYSA-N -1 0 373.406 -0.034 20 0 FBADRM CN(c1ncc(C(=O)[O-])s1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000833697839 605204746 /nfs/dbraw/zinc/20/47/46/605204746.db2.gz LTQDWNRDILKXCR-UHFFFAOYSA-N -1 0 360.373 -0.936 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])C1=O ZINC000833697845 604855783 /nfs/dbraw/zinc/85/57/83/604855783.db2.gz LXYGUXHDBKLAEN-JTQLQIEISA-N -1 0 367.289 -0.806 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])C1=O ZINC000833697846 604856004 /nfs/dbraw/zinc/85/60/04/604856004.db2.gz LXYGUXHDBKLAEN-SNVBAGLBSA-N -1 0 367.289 -0.806 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CC1 ZINC000833698016 604890023 /nfs/dbraw/zinc/89/00/23/604890023.db2.gz VPJNSFWSOQEDEG-AWEZNQCLSA-N -1 0 356.423 -0.982 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CC1 ZINC000833698017 604889697 /nfs/dbraw/zinc/88/96/97/604889697.db2.gz VPJNSFWSOQEDEG-CQSZACIVSA-N -1 0 356.423 -0.982 20 0 FBADRM CN1CCN(C(=O)CCNS(=O)(=O)c2ccccc2C(=O)[O-])CC1 ZINC000833698034 605019297 /nfs/dbraw/zinc/01/92/97/605019297.db2.gz WKGNVPVYJINZFB-UHFFFAOYSA-N -1 0 355.416 -0.173 20 0 FBADRM CN1CCN(C(=O)CCNS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)CC1 ZINC000833698063 605201606 /nfs/dbraw/zinc/20/16/06/605201606.db2.gz XSQAXLOUVDFPPM-UHFFFAOYSA-N -1 0 373.406 -0.034 20 0 FBADRM CN1C(=O)C[C@@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)[C@@H]1c1cccnc1 ZINC000833698086 605539558 /nfs/dbraw/zinc/53/95/58/605539558.db2.gz NFMLLQBLWUXKTQ-DOMZBBRYSA-N -1 0 370.369 -0.026 20 0 FBADRM CN1C(=O)C[C@@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)[C@H]1c1cccnc1 ZINC000833698087 605539675 /nfs/dbraw/zinc/53/96/75/605539675.db2.gz NFMLLQBLWUXKTQ-IUODEOHRSA-N -1 0 370.369 -0.026 20 0 FBADRM CN1C(=O)C[C@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)[C@H]1c1cccnc1 ZINC000833698088 605539629 /nfs/dbraw/zinc/53/96/29/605539629.db2.gz NFMLLQBLWUXKTQ-SWLSCSKDSA-N -1 0 370.369 -0.026 20 0 FBADRM CN1C(=O)C[C@H](C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)[C@@H]1c1cccnc1 ZINC000833698089 605542656 /nfs/dbraw/zinc/54/26/56/605542656.db2.gz NFMLLQBLWUXKTQ-WFASDCNBSA-N -1 0 370.369 -0.026 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)OCCOc2ccccc2C(=O)[O-])C1=O ZINC000833698106 605188424 /nfs/dbraw/zinc/18/84/24/605188424.db2.gz OAWQBMBSIUGRNB-UHFFFAOYSA-N -1 0 350.283 -0.273 20 0 FBADRM CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000833698146 604690347 /nfs/dbraw/zinc/69/03/47/604690347.db2.gz YIXSKCRUGNRWDP-UHFFFAOYSA-N -1 0 356.404 -0.778 20 0 FBADRM CN(c1ccccc1NC(=O)C(=O)NC1CN(C(=O)[O-])C1)S(C)(=O)=O ZINC000833698167 605035583 /nfs/dbraw/zinc/03/55/83/605035583.db2.gz QIBAOSCUCUFOKR-UHFFFAOYSA-N -1 0 370.387 -0.501 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)O[C@@H](Cc2ccc(F)cc2)C(=O)[O-])C1=O ZINC000833698394 605511654 /nfs/dbraw/zinc/51/16/54/605511654.db2.gz VOVXXTWKZQZKOU-JTQLQIEISA-N -1 0 352.274 -0.215 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)O[C@H](Cc2ccc(F)cc2)C(=O)[O-])C1=O ZINC000833698395 605511553 /nfs/dbraw/zinc/51/15/53/605511553.db2.gz VOVXXTWKZQZKOU-SNVBAGLBSA-N -1 0 352.274 -0.215 20 0 FBADRM CN1C(=O)C(=O)N(CC(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)C1=O ZINC000833698722 605639595 /nfs/dbraw/zinc/63/95/95/605639595.db2.gz ZTEPHYPMECWNRD-UHFFFAOYSA-N -1 0 360.326 -0.306 20 0 FBADRM CNC(=O)[C@@H](NC(=O)Cn1nc(C(=O)OC)cc1C(=O)[O-])c1ccccc1 ZINC000833699213 605582674 /nfs/dbraw/zinc/58/26/74/605582674.db2.gz IVGWXOQZADNGQX-AWEZNQCLSA-N -1 0 374.353 -0.029 20 0 FBADRM CNC(=O)[C@H](NC(=O)Cn1nc(C(=O)OC)cc1C(=O)[O-])c1ccccc1 ZINC000833699214 605582618 /nfs/dbraw/zinc/58/26/18/605582618.db2.gz IVGWXOQZADNGQX-CQSZACIVSA-N -1 0 374.353 -0.029 20 0 FBADRM CNC(=O)[C@@H](NC(=O)Cn1nc(C(=O)[O-])cc1C(=O)OC)c1ccccc1 ZINC000833699491 605582471 /nfs/dbraw/zinc/58/24/71/605582471.db2.gz QEWOWBLTROOKKG-AWEZNQCLSA-N -1 0 374.353 -0.029 20 0 FBADRM CNC(=O)[C@H](NC(=O)Cn1nc(C(=O)[O-])cc1C(=O)OC)c1ccccc1 ZINC000833699492 605582695 /nfs/dbraw/zinc/58/26/95/605582695.db2.gz QEWOWBLTROOKKG-CQSZACIVSA-N -1 0 374.353 -0.029 20 0 FBADRM CNC(=O)c1ccc(NC(=O)C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cc1 ZINC000833700276 604910632 /nfs/dbraw/zinc/91/06/32/604910632.db2.gz JEWGVSMNGYINJS-CYBMUJFWSA-N -1 0 363.370 -0.331 20 0 FBADRM CNC(=O)c1ccc(NC(=O)C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cc1 ZINC000833700279 604910639 /nfs/dbraw/zinc/91/06/39/604910639.db2.gz JEWGVSMNGYINJS-ZDUSSCGKSA-N -1 0 363.370 -0.331 20 0 FBADRM CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)c1 ZINC000833700617 605035412 /nfs/dbraw/zinc/03/54/12/605035412.db2.gz OLUQDPVHYLSJNA-UHFFFAOYSA-N -1 0 350.331 -0.528 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cc1 ZINC000833700722 605051633 /nfs/dbraw/zinc/05/16/33/605051633.db2.gz QGEOEIOJZDZVDQ-CYBMUJFWSA-N -1 0 356.400 -0.108 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cc1 ZINC000833700723 605051397 /nfs/dbraw/zinc/05/13/97/605051397.db2.gz QGEOEIOJZDZVDQ-ZDUSSCGKSA-N -1 0 356.400 -0.108 20 0 FBADRM COC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000833701502 661159496 /nfs/dbraw/zinc/15/94/96/661159496.db2.gz CSEVEBZQVYNSQZ-UHFFFAOYSA-N -1 0 350.327 -0.150 20 0 FBADRM COC(=O)C1(O)CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1 ZINC000833701515 605034097 /nfs/dbraw/zinc/03/40/97/605034097.db2.gz DBRVQYJZIWCAOC-UHFFFAOYSA-N -1 0 353.331 -0.812 20 0 FBADRM COC(=O)C1(O)CCN(C(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])CC1 ZINC000833701705 605946137 /nfs/dbraw/zinc/94/61/37/605946137.db2.gz FOZKHQWHPPYLSS-UHFFFAOYSA-N -1 0 368.317 -0.011 20 0 FBADRM COC(=O)C1(O)CCN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000833702162 604704102 /nfs/dbraw/zinc/70/41/02/604704102.db2.gz OZYGPWKINQKCQF-UHFFFAOYSA-N -1 0 373.383 -0.161 20 0 FBADRM COC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])CC1 ZINC000833702239 605057543 /nfs/dbraw/zinc/05/75/43/605057543.db2.gz QSWVMDRCHRWFGV-UHFFFAOYSA-N -1 0 368.317 -0.011 20 0 FBADRM COC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccsc2C(=O)[O-])CC1 ZINC000833702314 605481042 /nfs/dbraw/zinc/48/10/42/605481042.db2.gz RVJGXKDHEFYLRV-UHFFFAOYSA-N -1 0 356.356 -0.089 20 0 FBADRM COC(=O)C1(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCSCC1 ZINC000833702389 604702398 /nfs/dbraw/zinc/70/23/98/604702398.db2.gz UYFWQYQNRRPYQH-UHFFFAOYSA-N -1 0 363.417 -0.315 20 0 FBADRM COC(=O)C1(O)CCN(C(=O)C(=O)Nc2sccc2C(=O)[O-])CC1 ZINC000833702408 661159502 /nfs/dbraw/zinc/15/95/02/661159502.db2.gz VTBBUVKVUQVXRI-UHFFFAOYSA-N -1 0 356.356 -0.089 20 0 FBADRM COC(=O)C1(O)CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000833702515 661159464 /nfs/dbraw/zinc/15/94/64/661159464.db2.gz YFQYZUFUQDSPRD-UHFFFAOYSA-N -1 0 356.356 -0.089 20 0 FBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CSc1nnnn1C1CC1 ZINC000833703677 605654978 /nfs/dbraw/zinc/65/49/78/605654978.db2.gz BWLBSMYMCJZBJE-PSASIEDQSA-N -1 0 369.403 -0.035 20 0 FBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CSc1nnnn1C1CC1 ZINC000833703678 605654830 /nfs/dbraw/zinc/65/48/30/605654830.db2.gz BWLBSMYMCJZBJE-SCZZXKLOSA-N -1 0 369.403 -0.035 20 0 FBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CSc1nnnn1C1CC1 ZINC000833703679 605654722 /nfs/dbraw/zinc/65/47/22/605654722.db2.gz BWLBSMYMCJZBJE-WCBMZHEXSA-N -1 0 369.403 -0.035 20 0 FBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CSc1nnnn1C1CC1 ZINC000833703680 605654952 /nfs/dbraw/zinc/65/49/52/605654952.db2.gz BWLBSMYMCJZBJE-WPRPVWTQSA-N -1 0 369.403 -0.035 20 0 FBADRM COC(=O)C1CCC(NC(=O)c2ccc(S(N)(=O)=O)o2)(C(=O)[O-])CC1 ZINC000833704530 604745141 /nfs/dbraw/zinc/74/51/41/604745141.db2.gz AIOLQPGORQDTFO-UHFFFAOYSA-N -1 0 374.371 -0.157 20 0 FBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CS(=O)(=O)NC(C)(C)C ZINC000833705361 605771491 /nfs/dbraw/zinc/77/14/91/605771491.db2.gz JSEWLNWAPBMAJI-NXEZZACHSA-N -1 0 364.420 -0.431 20 0 FBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CS(=O)(=O)NC(C)(C)C ZINC000833705370 605771290 /nfs/dbraw/zinc/77/12/90/605771290.db2.gz JSEWLNWAPBMAJI-UWVGGRQHSA-N -1 0 364.420 -0.431 20 0 FBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CS(=O)(=O)NC(C)(C)C ZINC000833705371 605771488 /nfs/dbraw/zinc/77/14/88/605771488.db2.gz JSEWLNWAPBMAJI-VHSXEESVSA-N -1 0 364.420 -0.431 20 0 FBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CS(=O)(=O)NC(C)(C)C ZINC000833705373 605771170 /nfs/dbraw/zinc/77/11/70/605771170.db2.gz JSEWLNWAPBMAJI-ZJUUUORDSA-N -1 0 364.420 -0.431 20 0 FBADRM COC(=O)C1CCC(NC(=O)c2cn(C)c(=O)[nH]c2=O)(C(=O)[O-])CC1 ZINC000833705469 604746192 /nfs/dbraw/zinc/74/61/92/604746192.db2.gz NUZFOSGONJGDPF-UHFFFAOYSA-N -1 0 353.331 -0.598 20 0 FBADRM COC(=O)[C@@H]1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@@H](C(=O)[O-])C1 ZINC000833705762 605771286 /nfs/dbraw/zinc/77/12/86/605771286.db2.gz AQGGFGKIIUQJIA-NXEZZACHSA-N -1 0 364.420 -0.431 20 0 FBADRM COC(=O)[C@H]1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@H](C(=O)[O-])C1 ZINC000833705763 605771420 /nfs/dbraw/zinc/77/14/20/605771420.db2.gz AQGGFGKIIUQJIA-UWVGGRQHSA-N -1 0 364.420 -0.431 20 0 FBADRM COC(=O)[C@H]1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@@H](C(=O)[O-])C1 ZINC000833705764 605771595 /nfs/dbraw/zinc/77/15/95/605771595.db2.gz AQGGFGKIIUQJIA-VHSXEESVSA-N -1 0 364.420 -0.431 20 0 FBADRM COC(=O)[C@@H]1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@H](C(=O)[O-])C1 ZINC000833705765 605771269 /nfs/dbraw/zinc/77/12/69/605771269.db2.gz AQGGFGKIIUQJIA-ZJUUUORDSA-N -1 0 364.420 -0.431 20 0 FBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CN(C)CC(=O)NC(C)C ZINC000833705895 605771555 /nfs/dbraw/zinc/77/15/55/605771555.db2.gz KWQDYJYGMUSNFF-NEPJUHHUSA-N -1 0 357.407 -0.692 20 0 FBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CN(C)CC(=O)NC(C)C ZINC000833705898 605771474 /nfs/dbraw/zinc/77/14/74/605771474.db2.gz KWQDYJYGMUSNFF-NWDGAFQWSA-N -1 0 357.407 -0.692 20 0 FBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CN(C)CC(=O)NC(C)C ZINC000833705899 605771111 /nfs/dbraw/zinc/77/11/11/605771111.db2.gz KWQDYJYGMUSNFF-RYUDHWBXSA-N -1 0 357.407 -0.692 20 0 FBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CN(C)CC(=O)NC(C)C ZINC000833705901 605771336 /nfs/dbraw/zinc/77/13/36/605771336.db2.gz KWQDYJYGMUSNFF-VXGBXAGGSA-N -1 0 357.407 -0.692 20 0 FBADRM COC(=O)C1CCC(NC(=O)c2cn(C)c(=O)n(C)c2=O)(C(=O)[O-])CC1 ZINC000833705952 604741513 /nfs/dbraw/zinc/74/15/13/604741513.db2.gz SYUNPCZJTUBQOA-UHFFFAOYSA-N -1 0 367.358 -1.000 20 0 FBADRM COC(=O)[C@@H]1CCN(C(=O)CSc2nnnn2C2CC2)[C@@H](C(=O)[O-])C1 ZINC000833706244 605654598 /nfs/dbraw/zinc/65/45/98/605654598.db2.gz BOSAHBBIUPZQKL-PSASIEDQSA-N -1 0 369.403 -0.035 20 0 FBADRM COC(=O)[C@@H]1CCN(C(=O)CSc2nnnn2C2CC2)[C@H](C(=O)[O-])C1 ZINC000833706245 605654949 /nfs/dbraw/zinc/65/49/49/605654949.db2.gz BOSAHBBIUPZQKL-SCZZXKLOSA-N -1 0 369.403 -0.035 20 0 FBADRM COC(=O)[C@H]1CCN(C(=O)CSc2nnnn2C2CC2)[C@@H](C(=O)[O-])C1 ZINC000833706246 605654727 /nfs/dbraw/zinc/65/47/27/605654727.db2.gz BOSAHBBIUPZQKL-WCBMZHEXSA-N -1 0 369.403 -0.035 20 0 FBADRM COC(=O)[C@H]1CCN(C(=O)CSc2nnnn2C2CC2)[C@H](C(=O)[O-])C1 ZINC000833706247 605654758 /nfs/dbraw/zinc/65/47/58/605654758.db2.gz BOSAHBBIUPZQKL-WPRPVWTQSA-N -1 0 369.403 -0.035 20 0 FBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000833706682 605653358 /nfs/dbraw/zinc/65/33/58/605653358.db2.gz MMIZNPOTFGTIJS-BDAKNGLRSA-N -1 0 355.347 -0.818 20 0 FBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000833706683 605653241 /nfs/dbraw/zinc/65/32/41/605653241.db2.gz MMIZNPOTFGTIJS-DTWKUNHWSA-N -1 0 355.347 -0.818 20 0 FBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000833706684 605653271 /nfs/dbraw/zinc/65/32/71/605653271.db2.gz MMIZNPOTFGTIJS-IUCAKERBSA-N -1 0 355.347 -0.818 20 0 FBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000833706685 605653350 /nfs/dbraw/zinc/65/33/50/605653350.db2.gz MMIZNPOTFGTIJS-RKDXNWHRSA-N -1 0 355.347 -0.818 20 0 FBADRM COC(=O)[C@H]1CCN(C(=O)CNC(=O)NCc2ccco2)[C@@H](C(=O)[O-])C1 ZINC000833707101 605771865 /nfs/dbraw/zinc/77/18/65/605771865.db2.gz FANYJTPGVYLZRJ-CMPLNLGQSA-N -1 0 367.358 -0.056 20 0 FBADRM COC(=O)[C@H]1CCN(C(=O)CNC(=O)NCc2ccco2)[C@H](C(=O)[O-])C1 ZINC000833707102 605772244 /nfs/dbraw/zinc/77/22/44/605772244.db2.gz FANYJTPGVYLZRJ-JQWIXIFHSA-N -1 0 367.358 -0.056 20 0 FBADRM COC(=O)[C@@H]1CCN(C(=O)CNC(=O)NCc2ccco2)[C@H](C(=O)[O-])C1 ZINC000833707103 605772331 /nfs/dbraw/zinc/77/23/31/605772331.db2.gz FANYJTPGVYLZRJ-PWSUYJOCSA-N -1 0 367.358 -0.056 20 0 FBADRM COC(=O)[C@@H]1CCN(C(=O)CNC(=O)NCc2ccco2)[C@@H](C(=O)[O-])C1 ZINC000833707104 605771870 /nfs/dbraw/zinc/77/18/70/605771870.db2.gz FANYJTPGVYLZRJ-ZYHUDNBSSA-N -1 0 367.358 -0.056 20 0 FBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCSc1nnnn1C ZINC000833708369 605662220 /nfs/dbraw/zinc/66/22/20/605662220.db2.gz QNKNICCBCHIOSH-BDAKNGLRSA-N -1 0 357.392 -0.443 20 0 FBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCSc1nnnn1C ZINC000833708370 605661973 /nfs/dbraw/zinc/66/19/73/605661973.db2.gz QNKNICCBCHIOSH-DTWKUNHWSA-N -1 0 357.392 -0.443 20 0 FBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCSc1nnnn1C ZINC000833708371 605661968 /nfs/dbraw/zinc/66/19/68/605661968.db2.gz QNKNICCBCHIOSH-IUCAKERBSA-N -1 0 357.392 -0.443 20 0 FBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCSc1nnnn1C ZINC000833708372 605662048 /nfs/dbraw/zinc/66/20/48/605662048.db2.gz QNKNICCBCHIOSH-RKDXNWHRSA-N -1 0 357.392 -0.443 20 0 FBADRM COC(=O)[C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)[C@@H](C(=O)[O-])C1 ZINC000833708381 605648886 /nfs/dbraw/zinc/64/88/86/605648886.db2.gz ILWLTSVAATXGCS-GHMZBOCLSA-N -1 0 362.342 -0.639 20 0 FBADRM COC(=O)[C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)[C@H](C(=O)[O-])C1 ZINC000833708382 605648768 /nfs/dbraw/zinc/64/87/68/605648768.db2.gz ILWLTSVAATXGCS-MNOVXSKESA-N -1 0 362.342 -0.639 20 0 FBADRM COC(=O)[C@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)[C@H](C(=O)[O-])C1 ZINC000833708383 605648973 /nfs/dbraw/zinc/64/89/73/605648973.db2.gz ILWLTSVAATXGCS-QWRGUYRKSA-N -1 0 362.342 -0.639 20 0 FBADRM COC(=O)[C@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)[C@@H](C(=O)[O-])C1 ZINC000833708384 605648847 /nfs/dbraw/zinc/64/88/47/605648847.db2.gz ILWLTSVAATXGCS-WDEREUQCSA-N -1 0 362.342 -0.639 20 0 FBADRM COC(=O)[C@@H]1CCN(C(=O)Cn2cnc3c2ncnc3N)[C@H](C(=O)[O-])C1 ZINC000833708389 605768227 /nfs/dbraw/zinc/76/82/27/605768227.db2.gz INXJZRIZWDAOFP-BDAKNGLRSA-N -1 0 362.346 -0.727 20 0 FBADRM COC(=O)[C@H]1CCN(C(=O)Cn2cnc3c2ncnc3N)[C@@H](C(=O)[O-])C1 ZINC000833708390 605768053 /nfs/dbraw/zinc/76/80/53/605768053.db2.gz INXJZRIZWDAOFP-DTWKUNHWSA-N -1 0 362.346 -0.727 20 0 FBADRM COC(=O)[C@H]1CCN(C(=O)Cn2cnc3c2ncnc3N)[C@H](C(=O)[O-])C1 ZINC000833708391 605768312 /nfs/dbraw/zinc/76/83/12/605768312.db2.gz INXJZRIZWDAOFP-IUCAKERBSA-N -1 0 362.346 -0.727 20 0 FBADRM COC(=O)[C@@H]1CCN(C(=O)Cn2cnc3c2ncnc3N)[C@@H](C(=O)[O-])C1 ZINC000833708392 605768317 /nfs/dbraw/zinc/76/83/17/605768317.db2.gz INXJZRIZWDAOFP-RKDXNWHRSA-N -1 0 362.346 -0.727 20 0 FBADRM COC(=O)[C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](C(=O)[O-])C1 ZINC000833708433 605653281 /nfs/dbraw/zinc/65/32/81/605653281.db2.gz JGAOIYDZPFLTRE-BDAKNGLRSA-N -1 0 355.347 -0.818 20 0 FBADRM COC(=O)[C@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](C(=O)[O-])C1 ZINC000833708434 605653318 /nfs/dbraw/zinc/65/33/18/605653318.db2.gz JGAOIYDZPFLTRE-DTWKUNHWSA-N -1 0 355.347 -0.818 20 0 FBADRM COC(=O)[C@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](C(=O)[O-])C1 ZINC000833708435 605653260 /nfs/dbraw/zinc/65/32/60/605653260.db2.gz JGAOIYDZPFLTRE-IUCAKERBSA-N -1 0 355.347 -0.818 20 0 FBADRM COC(=O)[C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](C(=O)[O-])C1 ZINC000833708436 605653373 /nfs/dbraw/zinc/65/33/73/605653373.db2.gz JGAOIYDZPFLTRE-RKDXNWHRSA-N -1 0 355.347 -0.818 20 0 FBADRM COC(=O)[C@H]1CCN(C(=O)Cn2c(C)cc(O)cc2=O)[C@@H](C(=O)[O-])C1 ZINC000833709845 605768960 /nfs/dbraw/zinc/76/89/60/605768960.db2.gz MXTJYARBUODNCV-CMPLNLGQSA-N -1 0 352.343 -0.273 20 0 FBADRM COC(=O)[C@H]1CCN(C(=O)Cn2c(C)cc(O)cc2=O)[C@H](C(=O)[O-])C1 ZINC000833709846 605768773 /nfs/dbraw/zinc/76/87/73/605768773.db2.gz MXTJYARBUODNCV-JQWIXIFHSA-N -1 0 352.343 -0.273 20 0 FBADRM COC(=O)[C@@H]1CCN(C(=O)Cn2c(C)cc(O)cc2=O)[C@H](C(=O)[O-])C1 ZINC000833709847 605768892 /nfs/dbraw/zinc/76/88/92/605768892.db2.gz MXTJYARBUODNCV-PWSUYJOCSA-N -1 0 352.343 -0.273 20 0 FBADRM COC(=O)[C@@H]1CCN(C(=O)Cn2c(C)cc(O)cc2=O)[C@@H](C(=O)[O-])C1 ZINC000833709848 605769034 /nfs/dbraw/zinc/76/90/34/605769034.db2.gz MXTJYARBUODNCV-ZYHUDNBSSA-N -1 0 352.343 -0.273 20 0 FBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000833710014 605769087 /nfs/dbraw/zinc/76/90/87/605769087.db2.gz VOFMWFHESTVAJT-BDAKNGLRSA-N -1 0 355.347 -0.818 20 0 FBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000833710015 605768855 /nfs/dbraw/zinc/76/88/55/605768855.db2.gz VOFMWFHESTVAJT-DTWKUNHWSA-N -1 0 355.347 -0.818 20 0 FBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000833710016 605768797 /nfs/dbraw/zinc/76/87/97/605768797.db2.gz VOFMWFHESTVAJT-IUCAKERBSA-N -1 0 355.347 -0.818 20 0 FBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000833710017 605768802 /nfs/dbraw/zinc/76/88/02/605768802.db2.gz VOFMWFHESTVAJT-RKDXNWHRSA-N -1 0 355.347 -0.818 20 0 FBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CNC(=O)NCc1ccco1 ZINC000833710425 605771903 /nfs/dbraw/zinc/77/19/03/605771903.db2.gz XYLWMMHQBHRUHI-CMPLNLGQSA-N -1 0 367.358 -0.056 20 0 FBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CNC(=O)NCc1ccco1 ZINC000833710427 605772228 /nfs/dbraw/zinc/77/22/28/605772228.db2.gz XYLWMMHQBHRUHI-JQWIXIFHSA-N -1 0 367.358 -0.056 20 0 FBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CNC(=O)NCc1ccco1 ZINC000833710429 605772291 /nfs/dbraw/zinc/77/22/91/605772291.db2.gz XYLWMMHQBHRUHI-PWSUYJOCSA-N -1 0 367.358 -0.056 20 0 FBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CNC(=O)NCc1ccco1 ZINC000833710431 605772155 /nfs/dbraw/zinc/77/21/55/605772155.db2.gz XYLWMMHQBHRUHI-ZYHUDNBSSA-N -1 0 367.358 -0.056 20 0 FBADRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCS(=O)(=O)N(C)C ZINC000833710882 605772381 /nfs/dbraw/zinc/77/23/81/605772381.db2.gz ZMVPZGBNTIUNJO-NXEZZACHSA-N -1 0 350.393 -0.867 20 0 FBADRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCS(=O)(=O)N(C)C ZINC000833710887 605771981 /nfs/dbraw/zinc/77/19/81/605771981.db2.gz ZMVPZGBNTIUNJO-UWVGGRQHSA-N -1 0 350.393 -0.867 20 0 FBADRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCS(=O)(=O)N(C)C ZINC000833710888 605772134 /nfs/dbraw/zinc/77/21/34/605772134.db2.gz ZMVPZGBNTIUNJO-VHSXEESVSA-N -1 0 350.393 -0.867 20 0 FBADRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCS(=O)(=O)N(C)C ZINC000833710889 605773001 /nfs/dbraw/zinc/77/30/01/605773001.db2.gz ZMVPZGBNTIUNJO-ZJUUUORDSA-N -1 0 350.393 -0.867 20 0 FBADRM COC(=O)C1CCN(C(=O)CN2CC[C@@H](C(=O)[O-])C[C@@H]2C(=O)OC)CC1 ZINC000833711161 605687057 /nfs/dbraw/zinc/68/70/57/605687057.db2.gz UJARXHPQMKUTLN-CHWSQXEVSA-N -1 0 370.402 -0.264 20 0 FBADRM COC(=O)C1CCN(C(=O)CN2CC[C@@H](C(=O)[O-])C[C@H]2C(=O)OC)CC1 ZINC000833711162 605687047 /nfs/dbraw/zinc/68/70/47/605687047.db2.gz UJARXHPQMKUTLN-OLZOCXBDSA-N -1 0 370.402 -0.264 20 0 FBADRM COC(=O)C1CCN(C(=O)CN2CC[C@H](C(=O)[O-])C[C@@H]2C(=O)OC)CC1 ZINC000833711163 605686608 /nfs/dbraw/zinc/68/66/08/605686608.db2.gz UJARXHPQMKUTLN-QWHCGFSZSA-N -1 0 370.402 -0.264 20 0 FBADRM COC(=O)C1CCN(C(=O)CN2CC[C@H](C(=O)[O-])C[C@H]2C(=O)OC)CC1 ZINC000833711164 605686661 /nfs/dbraw/zinc/68/66/61/605686661.db2.gz UJARXHPQMKUTLN-STQMWFEESA-N -1 0 370.402 -0.264 20 0 FBADRM COC(=O)[C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](C(=O)[O-])C1 ZINC000833711262 605768758 /nfs/dbraw/zinc/76/87/58/605768758.db2.gz VKSBNWSLGAOLFA-BDAKNGLRSA-N -1 0 355.347 -0.818 20 0 FBADRM COC(=O)[C@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H](C(=O)[O-])C1 ZINC000833711263 605768850 /nfs/dbraw/zinc/76/88/50/605768850.db2.gz VKSBNWSLGAOLFA-DTWKUNHWSA-N -1 0 355.347 -0.818 20 0 FBADRM COC(=O)[C@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](C(=O)[O-])C1 ZINC000833711264 605768903 /nfs/dbraw/zinc/76/89/03/605768903.db2.gz VKSBNWSLGAOLFA-IUCAKERBSA-N -1 0 355.347 -0.818 20 0 FBADRM COC(=O)[C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H](C(=O)[O-])C1 ZINC000833711265 605768864 /nfs/dbraw/zinc/76/88/64/605768864.db2.gz VKSBNWSLGAOLFA-RKDXNWHRSA-N -1 0 355.347 -0.818 20 0 FBADRM COC(=O)C1CCN(C(=O)CN2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)[O-])CC1 ZINC000833711288 605686665 /nfs/dbraw/zinc/68/66/65/605686665.db2.gz VOZXAPKWXHXHMM-CHWSQXEVSA-N -1 0 370.402 -0.264 20 0 FBADRM COC(=O)C1CCN(C(=O)CN2CC[C@@H](C(=O)OC)C[C@H]2C(=O)[O-])CC1 ZINC000833711289 605686574 /nfs/dbraw/zinc/68/65/74/605686574.db2.gz VOZXAPKWXHXHMM-OLZOCXBDSA-N -1 0 370.402 -0.264 20 0 FBADRM COC(=O)C1CCN(C(=O)CN2CC[C@H](C(=O)OC)C[C@@H]2C(=O)[O-])CC1 ZINC000833711290 605686806 /nfs/dbraw/zinc/68/68/06/605686806.db2.gz VOZXAPKWXHXHMM-QWHCGFSZSA-N -1 0 370.402 -0.264 20 0 FBADRM COC(=O)C1CCN(C(=O)CN2CC[C@H](C(=O)OC)C[C@H]2C(=O)[O-])CC1 ZINC000833711291 605686748 /nfs/dbraw/zinc/68/67/48/605686748.db2.gz VOZXAPKWXHXHMM-STQMWFEESA-N -1 0 370.402 -0.264 20 0 FBADRM COC(=O)[C@H]1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@H](C(=O)[O-])C1 ZINC000833711519 605665133 /nfs/dbraw/zinc/66/51/33/605665133.db2.gz YOXCYEPXXGIXIZ-GWCFXTLKSA-N -1 0 374.353 -0.344 20 0 FBADRM COC(=O)[C@H]1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@@H](C(=O)[O-])C1 ZINC000833711520 605665056 /nfs/dbraw/zinc/66/50/56/605665056.db2.gz YOXCYEPXXGIXIZ-GXFFZTMASA-N -1 0 374.353 -0.344 20 0 FBADRM COC(=O)[C@@H]1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@H](C(=O)[O-])C1 ZINC000833711521 605665681 /nfs/dbraw/zinc/66/56/81/605665681.db2.gz YOXCYEPXXGIXIZ-MFKMUULPSA-N -1 0 374.353 -0.344 20 0 FBADRM COC(=O)[C@@H]1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@@H](C(=O)[O-])C1 ZINC000833711522 605665533 /nfs/dbraw/zinc/66/55/33/605665533.db2.gz YOXCYEPXXGIXIZ-ZWNOBZJWSA-N -1 0 374.353 -0.344 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])nn1CC(=O)N1CCC(C(=O)OC)CC1 ZINC000833711619 605186020 /nfs/dbraw/zinc/18/60/20/605186020.db2.gz AAECWEMUXAYNDK-UHFFFAOYSA-N -1 0 353.331 -0.221 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])nn1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000833711648 605186000 /nfs/dbraw/zinc/18/60/00/605186000.db2.gz BKUBDMFOMWLSOF-UHFFFAOYSA-N -1 0 364.358 -0.551 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])nn1CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000833711977 605186824 /nfs/dbraw/zinc/18/68/24/605186824.db2.gz RFFRKXWBFVLYNS-JTQLQIEISA-N -1 0 352.347 -0.505 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])nn1CC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000833711978 605186886 /nfs/dbraw/zinc/18/68/86/605186886.db2.gz RFFRKXWBFVLYNS-SNVBAGLBSA-N -1 0 352.347 -0.505 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])nn1[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000833711986 605619373 /nfs/dbraw/zinc/61/93/73/605619373.db2.gz ROKNEEWDHDKEOE-SECBINFHSA-N -1 0 352.347 -0.380 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])nn1[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000833711987 605619471 /nfs/dbraw/zinc/61/94/71/605619471.db2.gz ROKNEEWDHDKEOE-VIFPVBQESA-N -1 0 352.347 -0.380 20 0 FBADRM COC(=O)c1cc(C(=O)[O-])nn1CC(=O)N1CCC2(CC1)OCCO2 ZINC000833712078 605583261 /nfs/dbraw/zinc/58/32/61/605583261.db2.gz WWURSBHYUVFGBA-UHFFFAOYSA-N -1 0 353.331 -0.267 20 0 FBADRM COC(=O)c1cc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc(C(=O)[O-])c1 ZINC000833712355 605207152 /nfs/dbraw/zinc/20/71/52/605207152.db2.gz FTPBESSQDXGPHA-CYBMUJFWSA-N -1 0 361.354 -0.686 20 0 FBADRM COC(=O)c1cc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc(C(=O)[O-])c1 ZINC000833712356 605207239 /nfs/dbraw/zinc/20/72/39/605207239.db2.gz FTPBESSQDXGPHA-ZDUSSCGKSA-N -1 0 361.354 -0.686 20 0 FBADRM COC(=O)c1cc(CN2CCN(S(N)(=O)=O)CC2)cc(C(=O)[O-])c1 ZINC000833712588 605203603 /nfs/dbraw/zinc/20/36/03/605203603.db2.gz JGADDLODLQSSHE-UHFFFAOYSA-N -1 0 357.388 -0.508 20 0 FBADRM COC(=O)c1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)cn1C ZINC000833713231 605121857 /nfs/dbraw/zinc/12/18/57/605121857.db2.gz OXXKMQRLFLANKP-UHFFFAOYSA-N -1 0 367.358 -0.252 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N(CCO)CCO)c(C(=O)[O-])s1 ZINC000833713847 605060405 /nfs/dbraw/zinc/06/04/05/605060405.db2.gz IFOPMEFDODHTOQ-UHFFFAOYSA-N -1 0 353.374 -0.792 20 0 FBADRM COC(=O)c1cc(NC(=O)C(=O)NCC2(C)OCCO2)ccc1C(=O)[O-] ZINC000833713908 605034240 /nfs/dbraw/zinc/03/42/40/605034240.db2.gz YFLHUMOGCQBRLT-UHFFFAOYSA-N -1 0 366.326 -0.011 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)oc1C ZINC000833714033 605560090 /nfs/dbraw/zinc/56/00/90/605560090.db2.gz LAHWOMQMWVVOTO-UHFFFAOYSA-N -1 0 370.343 -0.090 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N(C)[C@H](C)C(N)=O)c(C(=O)[O-])s1 ZINC000833714172 604905105 /nfs/dbraw/zinc/90/51/05/604905105.db2.gz NNFIUOQMHIECLX-RXMQYKEDSA-N -1 0 350.374 -0.273 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N(C)[C@@H](C)C(N)=O)c(C(=O)[O-])s1 ZINC000833714174 604905513 /nfs/dbraw/zinc/90/55/13/604905513.db2.gz NNFIUOQMHIECLX-YFKPBYRVSA-N -1 0 350.374 -0.273 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c(C)o1 ZINC000833714180 605560442 /nfs/dbraw/zinc/56/04/42/605560442.db2.gz NQNHDGNFVFRUMV-UHFFFAOYSA-N -1 0 370.343 -0.090 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCCc2nnc[nH]2)c1 ZINC000833714277 605045513 /nfs/dbraw/zinc/04/55/13/605045513.db2.gz AQTXNXDDWCQVSC-UHFFFAOYSA-N -1 0 354.344 -0.190 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCc2cn(C)nn2)c1 ZINC000833714336 605269651 /nfs/dbraw/zinc/26/96/51/605269651.db2.gz CQLVAMKRKVRJHN-UHFFFAOYSA-N -1 0 354.344 -0.222 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCCS(C)(=O)=O)c1 ZINC000833714340 605018457 /nfs/dbraw/zinc/01/84/57/605018457.db2.gz CUWFGUBRZLKQMW-UHFFFAOYSA-N -1 0 365.385 -0.506 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCCC(=O)N(C)C)c1 ZINC000833714354 605018676 /nfs/dbraw/zinc/01/86/76/605018676.db2.gz DRONRYGIJUWXAX-UHFFFAOYSA-N -1 0 358.372 -0.072 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCCn2ccnn2)c1 ZINC000833714359 605216396 /nfs/dbraw/zinc/21/63/96/605216396.db2.gz DVDVHYQCGZWLEZ-UHFFFAOYSA-N -1 0 354.344 -0.259 20 0 FBADRM COC(=O)c1cc(NC(=O)CN2C[C@H](O)C[C@@H]2CO)cc(C(=O)[O-])c1 ZINC000833714402 604991983 /nfs/dbraw/zinc/99/19/83/604991983.db2.gz GFAUJBYRADAHHK-CHWSQXEVSA-N -1 0 352.343 -0.463 20 0 FBADRM COC(=O)c1cc(NC(=O)CN2C[C@@H](O)C[C@@H]2CO)cc(C(=O)[O-])c1 ZINC000833714403 604992000 /nfs/dbraw/zinc/99/20/00/604992000.db2.gz GFAUJBYRADAHHK-OLZOCXBDSA-N -1 0 352.343 -0.463 20 0 FBADRM COC(=O)c1cc(NC(=O)CN2C[C@H](O)C[C@H]2CO)cc(C(=O)[O-])c1 ZINC000833714404 604991935 /nfs/dbraw/zinc/99/19/35/604991935.db2.gz GFAUJBYRADAHHK-QWHCGFSZSA-N -1 0 352.343 -0.463 20 0 FBADRM COC(=O)c1cc(NC(=O)CN2C[C@@H](O)C[C@H]2CO)cc(C(=O)[O-])c1 ZINC000833714405 604991994 /nfs/dbraw/zinc/99/19/94/604991994.db2.gz GFAUJBYRADAHHK-STQMWFEESA-N -1 0 352.343 -0.463 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c[nH]1 ZINC000833714489 605560207 /nfs/dbraw/zinc/56/02/07/605560207.db2.gz RXWROOWGKGOBFF-UHFFFAOYSA-N -1 0 355.332 -0.663 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(=O)OC)c[nH]1 ZINC000833714532 605611920 /nfs/dbraw/zinc/61/19/20/605611920.db2.gz UUESJTQUFCTUMR-GZMMTYOYSA-N -1 0 374.371 -0.172 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(=O)OC)c[nH]1 ZINC000833714533 605611914 /nfs/dbraw/zinc/61/19/14/605611914.db2.gz UUESJTQUFCTUMR-KCJUWKMLSA-N -1 0 374.371 -0.172 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(=O)OC)c[nH]1 ZINC000833714534 605611883 /nfs/dbraw/zinc/61/18/83/605611883.db2.gz UUESJTQUFCTUMR-KWQFWETISA-N -1 0 374.371 -0.172 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(=O)OC)c[nH]1 ZINC000833714535 605611840 /nfs/dbraw/zinc/61/18/40/605611840.db2.gz UUESJTQUFCTUMR-LDYMZIIASA-N -1 0 374.371 -0.172 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCCNC(=O)N(C)C)c1 ZINC000833714598 605209075 /nfs/dbraw/zinc/20/90/75/605209075.db2.gz GKSVERDXCVSAAR-UHFFFAOYSA-N -1 0 373.387 -0.279 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCCc2nnnn2C)c1 ZINC000833714614 604902391 /nfs/dbraw/zinc/90/23/91/604902391.db2.gz HFZOVWFFZSVFBS-UHFFFAOYSA-N -1 0 369.359 -0.784 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCNC2=O)c(C(=O)[O-])s1 ZINC000833714795 604714199 /nfs/dbraw/zinc/71/41/99/604714199.db2.gz XDAWAIPSJPUWMP-LURJTMIESA-N -1 0 362.385 -0.258 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCNC2=O)c(C(=O)[O-])s1 ZINC000833714796 604714448 /nfs/dbraw/zinc/71/44/48/604714448.db2.gz XDAWAIPSJPUWMP-ZCFIWIBFSA-N -1 0 362.385 -0.258 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)OC)C[C@@H]2C(=O)[O-])c[nH]1 ZINC000833714797 605611809 /nfs/dbraw/zinc/61/18/09/605611809.db2.gz XGZJVTWTOSGHFN-GZMMTYOYSA-N -1 0 374.371 -0.172 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C(=O)[O-])c[nH]1 ZINC000833714798 605611699 /nfs/dbraw/zinc/61/16/99/605611699.db2.gz XGZJVTWTOSGHFN-KCJUWKMLSA-N -1 0 374.371 -0.172 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)OC)C[C@H]2C(=O)[O-])c[nH]1 ZINC000833714799 605611946 /nfs/dbraw/zinc/61/19/46/605611946.db2.gz XGZJVTWTOSGHFN-KWQFWETISA-N -1 0 374.371 -0.172 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)[O-])c[nH]1 ZINC000833714800 605611943 /nfs/dbraw/zinc/61/19/43/605611943.db2.gz XGZJVTWTOSGHFN-LDYMZIIASA-N -1 0 374.371 -0.172 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cn1C ZINC000833714862 605559927 /nfs/dbraw/zinc/55/99/27/605559927.db2.gz ZITSDENQXSYDOA-UHFFFAOYSA-N -1 0 369.359 -0.653 20 0 FBADRM COC(=O)c1cc(NC(=O)CN2CC[C@@H](NC(N)=O)C2)cc(C(=O)[O-])c1 ZINC000833714947 605019274 /nfs/dbraw/zinc/01/92/74/605019274.db2.gz LYNTUOITDRZFID-LLVKDONJSA-N -1 0 364.358 -0.148 20 0 FBADRM COC(=O)c1cc(NC(=O)CN2CC[C@H](NC(N)=O)C2)cc(C(=O)[O-])c1 ZINC000833714949 605019153 /nfs/dbraw/zinc/01/91/53/605019153.db2.gz LYNTUOITDRZFID-NSHDSACASA-N -1 0 364.358 -0.148 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCc2nncn2C)c1 ZINC000833714977 605015823 /nfs/dbraw/zinc/01/58/23/605015823.db2.gz MOFAIAJFDBYDEJ-UHFFFAOYSA-N -1 0 354.344 -0.222 20 0 FBADRM COC(=O)c1cc(NC(=O)CN2CCOC[C@@H]2C(N)=O)cc(C(=O)[O-])c1 ZINC000833715155 604721059 /nfs/dbraw/zinc/72/10/59/604721059.db2.gz POMKYDHETBWCJL-GFCCVEGCSA-N -1 0 365.342 -0.704 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000833715156 605023216 /nfs/dbraw/zinc/02/32/16/605023216.db2.gz ONMRKUMNNHNEKP-LLVKDONJSA-N -1 0 372.399 -0.220 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000833715157 605023180 /nfs/dbraw/zinc/02/31/80/605023180.db2.gz ONMRKUMNNHNEKP-NSHDSACASA-N -1 0 372.399 -0.220 20 0 FBADRM COC(=O)c1cc(NC(=O)CN2CCOC[C@H]2C(N)=O)cc(C(=O)[O-])c1 ZINC000833715175 604721062 /nfs/dbraw/zinc/72/10/62/604721062.db2.gz POMKYDHETBWCJL-LBPRGKRZSA-N -1 0 365.342 -0.704 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCCn2cncn2)c1 ZINC000833715379 605022457 /nfs/dbraw/zinc/02/24/57/605022457.db2.gz SLZQYLMINRFLRZ-UHFFFAOYSA-N -1 0 354.344 -0.259 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NC[C@@]2(O)CCOC2)c1 ZINC000833715388 604511573 /nfs/dbraw/zinc/51/15/73/604511573.db2.gz SMUQDQDCRGJHCD-AWEZNQCLSA-N -1 0 359.356 -0.399 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NC[C@]2(O)CCOC2)c1 ZINC000833715390 604511966 /nfs/dbraw/zinc/51/19/66/604511966.db2.gz SMUQDQDCRGJHCD-CQSZACIVSA-N -1 0 359.356 -0.399 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCc2ncn(C)n2)c1 ZINC000833715445 604552592 /nfs/dbraw/zinc/55/25/92/604552592.db2.gz UMHJFIHGHGIDKO-UHFFFAOYSA-N -1 0 354.344 -0.222 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCCCNC(C)=O)c1 ZINC000833715450 605015847 /nfs/dbraw/zinc/01/58/47/605015847.db2.gz UTQUTVKEMDXHCP-UHFFFAOYSA-N -1 0 358.372 -0.024 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N2CCC(O)(C(=O)[O-])CC2)cc1 ZINC000833715489 661159648 /nfs/dbraw/zinc/15/96/48/661159648.db2.gz AGOGDXYJPZXPMH-UHFFFAOYSA-N -1 0 350.327 -0.150 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCC2(CO)COC2)c1 ZINC000833715689 605051601 /nfs/dbraw/zinc/05/16/01/605051601.db2.gz WEPUQPLXBRBLRI-UHFFFAOYSA-N -1 0 359.356 -0.541 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@H](C)C(=O)N(C)C)c1 ZINC000833715690 605045154 /nfs/dbraw/zinc/04/51/54/605045154.db2.gz WGHJJKIRLKJDRC-MRVPVSSYSA-N -1 0 358.372 -0.074 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCC2(O)CCOCC2)c1 ZINC000833715738 605032014 /nfs/dbraw/zinc/03/20/14/605032014.db2.gz XDBYBAUPBJRVOP-UHFFFAOYSA-N -1 0 373.383 -0.009 20 0 FBADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCCn2ncnn2)c1 ZINC000833715783 605047894 /nfs/dbraw/zinc/04/78/94/605047894.db2.gz YSKAZKULJOYOGQ-UHFFFAOYSA-N -1 0 355.332 -0.864 20 0 FBADRM COC(=O)c1ccc(F)cc1S(=O)(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000833715812 605014771 /nfs/dbraw/zinc/01/47/71/605014771.db2.gz FKJMJPYGOPLALU-JTQLQIEISA-N -1 0 374.346 -0.424 20 0 FBADRM COC(=O)c1ccc(F)cc1S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000833715813 605014727 /nfs/dbraw/zinc/01/47/27/605014727.db2.gz FKJMJPYGOPLALU-SNVBAGLBSA-N -1 0 374.346 -0.424 20 0 FBADRM COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)OC ZINC000833715891 605015833 /nfs/dbraw/zinc/01/58/33/605015833.db2.gz HSDWALUJECYYCA-SECBINFHSA-N -1 0 363.319 -0.093 20 0 FBADRM COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)OC ZINC000833715893 605016009 /nfs/dbraw/zinc/01/60/09/605016009.db2.gz HSDWALUJECYYCA-VIFPVBQESA-N -1 0 363.319 -0.093 20 0 FBADRM COC(=O)c1ccc(N2CCN(C(=O)CCCNC(=O)[O-])CC2)nn1 ZINC000833715939 604958835 /nfs/dbraw/zinc/95/88/35/604958835.db2.gz JGGKOWLCTDQTGA-UHFFFAOYSA-N -1 0 351.363 -0.040 20 0 FBADRM COC(=O)c1ccc(N2CCN(C(=O)c3cc(C(=O)[O-])no3)CC2)nn1 ZINC000833716216 605879145 /nfs/dbraw/zinc/87/91/45/605879145.db2.gz WEFRZOCFYJFJFE-UHFFFAOYSA-N -1 0 361.314 -0.088 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](O)C2)cc1C(=O)[O-] ZINC000833716230 605034166 /nfs/dbraw/zinc/03/41/66/605034166.db2.gz WONFJNPNIWHQLF-PELKAZGASA-N -1 0 350.327 -0.051 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@H](O)C2)cc1C(=O)[O-] ZINC000833716231 605034179 /nfs/dbraw/zinc/03/41/79/605034179.db2.gz WONFJNPNIWHQLF-PRHODGIISA-N -1 0 350.327 -0.051 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C)[C@H](O)C2)cc1C(=O)[O-] ZINC000833716232 605034151 /nfs/dbraw/zinc/03/41/51/605034151.db2.gz WONFJNPNIWHQLF-QPUJVOFHSA-N -1 0 350.327 -0.051 20 0 FBADRM COC(=O)c1ccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](C)C2)cc1C(=O)[O-] ZINC000833716233 605034117 /nfs/dbraw/zinc/03/41/17/605034117.db2.gz WONFJNPNIWHQLF-UFBFGSQYSA-N -1 0 350.327 -0.051 20 0 FBADRM COC(=O)c1cncc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])c1 ZINC000833717645 605031090 /nfs/dbraw/zinc/03/10/90/605031090.db2.gz PQMXOBBHRUJMBY-UHFFFAOYSA-N -1 0 351.359 -0.273 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000833722383 605457289 /nfs/dbraw/zinc/45/72/89/605457289.db2.gz SUWCXDCJNDQCKX-AWEZNQCLSA-N -1 0 361.420 -0.115 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000833722384 605457455 /nfs/dbraw/zinc/45/74/55/605457455.db2.gz SUWCXDCJNDQCKX-CQSZACIVSA-N -1 0 361.420 -0.115 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000833722517 605194263 /nfs/dbraw/zinc/19/42/63/605194263.db2.gz XQUQZVPDEFGNON-GFCCVEGCSA-N -1 0 352.409 -0.461 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000833722518 605194300 /nfs/dbraw/zinc/19/43/00/605194300.db2.gz XQUQZVPDEFGNON-LBPRGKRZSA-N -1 0 352.409 -0.461 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000833722587 605060212 /nfs/dbraw/zinc/06/02/12/605060212.db2.gz YYESCELEBCXKLU-AWEZNQCLSA-N -1 0 361.420 -0.115 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000833722588 605060012 /nfs/dbraw/zinc/06/00/12/605060012.db2.gz YYESCELEBCXKLU-CQSZACIVSA-N -1 0 361.420 -0.115 20 0 FBADRM COCCN1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2C)CC1=O ZINC000833723800 604601286 /nfs/dbraw/zinc/60/12/86/604601286.db2.gz AVVQPIYSJOHHBQ-UHFFFAOYSA-N -1 0 363.370 -0.051 20 0 FBADRM COCCN1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1=O ZINC000833723861 604598550 /nfs/dbraw/zinc/59/85/50/604598550.db2.gz CSBSGUVMHQMZKN-UHFFFAOYSA-N -1 0 367.333 -0.220 20 0 FBADRM COCCN1CCN(C(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])CC1=O ZINC000833724069 605057315 /nfs/dbraw/zinc/05/73/15/605057315.db2.gz FQFSQYWMXXPXAZ-UHFFFAOYSA-N -1 0 367.333 -0.220 20 0 FBADRM COCCN1CCN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)CC1=O ZINC000833724135 604599861 /nfs/dbraw/zinc/59/98/61/604599861.db2.gz HKYXQGXTEQZPMI-UHFFFAOYSA-N -1 0 363.370 -0.431 20 0 FBADRM COCCN1CCN(C(=O)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)CC1=O ZINC000833724361 604599865 /nfs/dbraw/zinc/59/98/65/604599865.db2.gz KGBTZKRRHLPUET-UHFFFAOYSA-N -1 0 363.370 -0.051 20 0 FBADRM COCCN1CCN(C(=O)C(=O)Nc2sccc2C(=O)[O-])CC1=O ZINC000833724371 604599572 /nfs/dbraw/zinc/59/95/72/604599572.db2.gz KQKUGLRIAVTIKE-UHFFFAOYSA-N -1 0 355.372 -0.298 20 0 FBADRM COCCN1CCN(C(=O)C(=O)Nc2ccc(C)cc2C(=O)[O-])CC1=O ZINC000833724379 605057535 /nfs/dbraw/zinc/05/75/35/605057535.db2.gz KZEKGVBDPOAKIO-UHFFFAOYSA-N -1 0 363.370 -0.051 20 0 FBADRM COCCN1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CC1=O ZINC000833724454 604599343 /nfs/dbraw/zinc/59/93/43/604599343.db2.gz NNAFXXWFJBWVEZ-UHFFFAOYSA-N -1 0 355.372 -0.298 20 0 FBADRM COCCN1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)CC1=O ZINC000833724776 604599758 /nfs/dbraw/zinc/59/97/58/604599758.db2.gz RFJGKIMWTDFXDY-UHFFFAOYSA-N -1 0 367.333 -0.220 20 0 FBADRM COCCN1CCN(C(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])CC1=O ZINC000833724818 605057246 /nfs/dbraw/zinc/05/72/46/605057246.db2.gz UANIXERJZNCVQU-UHFFFAOYSA-N -1 0 367.333 -0.220 20 0 FBADRM COCCN1CCN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1=O ZINC000833724819 604599645 /nfs/dbraw/zinc/59/96/45/604599645.db2.gz UBGWOPFREYFNRD-UHFFFAOYSA-N -1 0 367.333 -0.220 20 0 FBADRM COCCN1CCN(C(=O)C(=O)Nc2ccsc2C(=O)[O-])CC1=O ZINC000833724968 605481013 /nfs/dbraw/zinc/48/10/13/605481013.db2.gz VOCCSMWJGVBJGO-UHFFFAOYSA-N -1 0 355.372 -0.298 20 0 FBADRM COCCN1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2C)CC1=O ZINC000833724995 604601332 /nfs/dbraw/zinc/60/13/32/604601332.db2.gz WPJKBEQZJVEHHV-UHFFFAOYSA-N -1 0 363.370 -0.051 20 0 FBADRM COCCN1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)C[C@H]1C ZINC000833725044 605028366 /nfs/dbraw/zinc/02/83/66/605028366.db2.gz YGYNVYQDOTZSDQ-LLVKDONJSA-N -1 0 352.391 -0.159 20 0 FBADRM COCCN1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)C[C@@H]1C ZINC000833725045 605028437 /nfs/dbraw/zinc/02/84/37/605028437.db2.gz YGYNVYQDOTZSDQ-NSHDSACASA-N -1 0 352.391 -0.159 20 0 FBADRM COCc1nc2n(n1)C[C@H](NS(=O)(=O)c1csnc1C(=O)[O-])CC2 ZINC000833725517 605047901 /nfs/dbraw/zinc/04/79/01/605047901.db2.gz BGCQZPFUQFAIBQ-SSDOTTSWSA-N -1 0 373.416 -0.128 20 0 FBADRM COCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1csnc1C(=O)[O-])CC2 ZINC000833725518 605047667 /nfs/dbraw/zinc/04/76/67/605047667.db2.gz BGCQZPFUQFAIBQ-ZETCQYMHSA-N -1 0 373.416 -0.128 20 0 FBADRM COCc1nc2n(n1)C[C@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])CC2 ZINC000833725538 605047612 /nfs/dbraw/zinc/04/76/12/605047612.db2.gz BVHXPQLUICORMN-MRVPVSSYSA-N -1 0 370.391 -0.552 20 0 FBADRM COCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])CC2 ZINC000833725539 605047604 /nfs/dbraw/zinc/04/76/04/605047604.db2.gz BVHXPQLUICORMN-QMMMGPOBSA-N -1 0 370.391 -0.552 20 0 FBADRM COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000833726247 605048906 /nfs/dbraw/zinc/04/89/06/605048906.db2.gz OHDDZOALVONHGS-MRVPVSSYSA-N -1 0 370.391 -0.032 20 0 FBADRM COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000833726250 605048790 /nfs/dbraw/zinc/04/87/90/605048790.db2.gz OHDDZOALVONHGS-QMMMGPOBSA-N -1 0 370.391 -0.032 20 0 FBADRM COCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)CC2 ZINC000833726328 604698244 /nfs/dbraw/zinc/69/82/44/604698244.db2.gz PIKDZWPTGFSMOK-SECBINFHSA-N -1 0 367.387 -0.189 20 0 FBADRM COCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)CC2 ZINC000833726329 604698300 /nfs/dbraw/zinc/69/83/00/604698300.db2.gz PIKDZWPTGFSMOK-VIFPVBQESA-N -1 0 367.387 -0.189 20 0 FBADRM COc1cc(C(=O)NCC(=O)NC[C@H](O)C(=O)[O-])ccc1OC(F)F ZINC000833726568 605089378 /nfs/dbraw/zinc/08/93/78/605089378.db2.gz GIWYEYUNFZXIKY-QMMMGPOBSA-N -1 0 362.285 -0.412 20 0 FBADRM COc1cc(C(=O)NCC(=O)N[C@@H](CO)C(=O)[O-])ccc1OC(F)F ZINC000833726737 605244480 /nfs/dbraw/zinc/24/44/80/605244480.db2.gz HWBVXGWCPAIVHW-QMMMGPOBSA-N -1 0 362.285 -0.412 20 0 FBADRM COc1cc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc(Cl)c1OCC(N)=O ZINC000833726801 605283471 /nfs/dbraw/zinc/28/34/71/605283471.db2.gz JAIBOOCYNQVSEG-SCZZXKLOSA-N -1 0 372.761 -0.127 20 0 FBADRM COc1c(NC(=O)C(=O)NCCSCC(=O)[O-])cccc1C(N)=O ZINC000833726877 605246505 /nfs/dbraw/zinc/24/65/05/605246505.db2.gz JEZPKJOVAAUMKT-UHFFFAOYSA-N -1 0 355.372 -0.333 20 0 FBADRM COc1c(NC(=O)C(=O)N2CCN(C(=O)[O-])CC2)cccc1C(N)=O ZINC000833726908 605244405 /nfs/dbraw/zinc/24/44/05/605244405.db2.gz KKABVLUAWLAEEZ-UHFFFAOYSA-N -1 0 350.331 -0.445 20 0 FBADRM COc1c(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cccc1C(N)=O ZINC000833727174 605244422 /nfs/dbraw/zinc/24/44/22/605244422.db2.gz ONKRYYPFYHUOHA-SECBINFHSA-N -1 0 364.358 -0.009 20 0 FBADRM COc1c(NC(=O)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)cccc1C(N)=O ZINC000833727176 605244275 /nfs/dbraw/zinc/24/42/75/605244275.db2.gz ONKRYYPFYHUOHA-VIFPVBQESA-N -1 0 364.358 -0.009 20 0 FBADRM COc1c(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cccc1C(N)=O ZINC000833727295 605257439 /nfs/dbraw/zinc/25/74/39/605257439.db2.gz RUFIVAWCTNTQKK-HNNXBMFYSA-N -1 0 353.306 -0.242 20 0 FBADRM COc1c(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)cccc1C(N)=O ZINC000833727297 605257159 /nfs/dbraw/zinc/25/71/59/605257159.db2.gz RUFIVAWCTNTQKK-OAHLLOKOSA-N -1 0 353.306 -0.242 20 0 FBADRM COc1cc(C(=O)NCC(=O)NC[C@H](O)C(=O)[O-])cc(OC)c1OC ZINC000833727435 605025549 /nfs/dbraw/zinc/02/55/49/605025549.db2.gz YSKLSRFJGBMKQL-VIFPVBQESA-N -1 0 356.331 -0.996 20 0 FBADRM COc1c(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)cccc1C(N)=O ZINC000833727503 605258857 /nfs/dbraw/zinc/25/88/57/605258857.db2.gz YISHXPJPFDXBTA-SECBINFHSA-N -1 0 365.342 -0.565 20 0 FBADRM COc1c(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cccc1C(N)=O ZINC000833727504 605258847 /nfs/dbraw/zinc/25/88/47/605258847.db2.gz YISHXPJPFDXBTA-VIFPVBQESA-N -1 0 365.342 -0.565 20 0 FBADRM COc1cc2c(nn1)CCN(S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])C2 ZINC000833730430 605048890 /nfs/dbraw/zinc/04/88/90/605048890.db2.gz ZEHJWHLVEDTLQK-UHFFFAOYSA-N -1 0 353.360 -0.038 20 0 FBADRM COc1ccc(C)cc1NC(=O)CNC(=O)CN[C@@]1(C(=O)[O-])CCOC1 ZINC000833730841 604488797 /nfs/dbraw/zinc/48/87/97/604488797.db2.gz PDJMTBKMGRQTFW-KRWDZBQOSA-N -1 0 365.386 -0.108 20 0 FBADRM COc1ccc(C)cc1NC(=O)CNC(=O)CN[C@]1(C(=O)[O-])CCOC1 ZINC000833730843 604488295 /nfs/dbraw/zinc/48/82/95/604488295.db2.gz PDJMTBKMGRQTFW-QGZVFWFLSA-N -1 0 365.386 -0.108 20 0 FBADRM COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H](O)C(=O)[O-])C2=O)cc1 ZINC000833730941 605025616 /nfs/dbraw/zinc/02/56/16/605025616.db2.gz LWUWBCIJYCILSL-MEDUHNTESA-N -1 0 365.342 -0.976 20 0 FBADRM COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@H](O)C(=O)[O-])C2=O)cc1 ZINC000833730942 605025632 /nfs/dbraw/zinc/02/56/32/605025632.db2.gz LWUWBCIJYCILSL-ZBEGNZNMSA-N -1 0 365.342 -0.976 20 0 FBADRM COc1ccc(S(=O)(=O)NCCn2ncnn2)c(OC)c1C(=O)[O-] ZINC000833734130 604899327 /nfs/dbraw/zinc/89/93/27/604899327.db2.gz IYBYAMWRURYCNB-UHFFFAOYSA-N -1 0 357.348 -0.633 20 0 FBADRM COc1ccc(S(=O)(=O)NCCc2nnnn2C)c(OC)c1C(=O)[O-] ZINC000833734189 604902423 /nfs/dbraw/zinc/90/24/23/604902423.db2.gz MVUFEQDXOGBCDV-UHFFFAOYSA-N -1 0 371.375 -0.554 20 0 FBADRM COc1ccc(S(=O)(=O)NCc2cc(C(N)=O)no2)cc1C(=O)[O-] ZINC000833734197 605075697 /nfs/dbraw/zinc/07/56/97/605075697.db2.gz NKLTYXXGGQRNLD-UHFFFAOYSA-N -1 0 355.328 -0.041 20 0 FBADRM COc1ccc(S(=O)(=O)NCCN2CCNC(=O)C2)cc1C(=O)[O-] ZINC000833734232 605866325 /nfs/dbraw/zinc/86/63/25/605866325.db2.gz POSMWUMZTXSDDK-UHFFFAOYSA-N -1 0 357.388 -0.897 20 0 FBADRM COc1ccc(S(=O)(=O)NCCn2cncn2)c(OC)c1C(=O)[O-] ZINC000833734252 604878428 /nfs/dbraw/zinc/87/84/28/604878428.db2.gz QSMHTIXPYYOUGD-UHFFFAOYSA-N -1 0 356.360 -0.028 20 0 FBADRM COc1ccc(S(=O)(=O)NCCS(C)(=O)=O)c(OC)c1C(=O)[O-] ZINC000833734269 604878234 /nfs/dbraw/zinc/87/82/34/604878234.db2.gz SIKSKALMLXKQSD-UHFFFAOYSA-N -1 0 367.401 -0.275 20 0 FBADRM COc1ccc(S(=O)(=O)NCCCN2CCNC(=O)C2)cc1C(=O)[O-] ZINC000833734280 605442850 /nfs/dbraw/zinc/44/28/50/605442850.db2.gz SXYXOSVHXDWSFO-UHFFFAOYSA-N -1 0 371.415 -0.506 20 0 FBADRM COc1ccc(S(=O)(=O)NCCOCC(N)=O)c(OC)c1C(=O)[O-] ZINC000833734312 604899174 /nfs/dbraw/zinc/89/91/74/604899174.db2.gz WKQOGWMOVSIQDG-UHFFFAOYSA-N -1 0 362.360 -0.818 20 0 FBADRM COc1ccc(S(=O)(=O)NCCn2ccnn2)c(OC)c1C(=O)[O-] ZINC000833734370 605216755 /nfs/dbraw/zinc/21/67/55/605216755.db2.gz ZVJRKKUJORGWOD-UHFFFAOYSA-N -1 0 356.360 -0.028 20 0 FBADRM COc1ccccc1N(CCC(N)=O)C(=O)CN[C@@]1(C(=O)[O-])CCOC1 ZINC000833736779 604488689 /nfs/dbraw/zinc/48/86/89/604488689.db2.gz YANXXULCDFTZLT-KRWDZBQOSA-N -1 0 365.386 -0.263 20 0 FBADRM COc1ccccc1N(CCC(N)=O)C(=O)CN[C@]1(C(=O)[O-])CCOC1 ZINC000833736780 604488566 /nfs/dbraw/zinc/48/85/66/604488566.db2.gz YANXXULCDFTZLT-QGZVFWFLSA-N -1 0 365.386 -0.263 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)c1 ZINC000833736907 604704395 /nfs/dbraw/zinc/70/43/95/604704395.db2.gz FSGLCASTMFGRDO-UHFFFAOYSA-N -1 0 363.413 -0.310 20 0 FBADRM CS(=O)(=O)c1nc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c2ccccn21 ZINC000833737116 605283542 /nfs/dbraw/zinc/28/35/42/605283542.db2.gz RDRFJSJWNRYYOZ-SCZZXKLOSA-N -1 0 353.356 -0.602 20 0 FBADRM CS(=O)(=O)CCCC(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC000833737291 604957504 /nfs/dbraw/zinc/95/75/04/604957504.db2.gz AFJAYJIFOUOZGP-UHFFFAOYSA-N -1 0 356.404 -0.352 20 0 FBADRM CS(=O)(=O)CCN(C1CC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000833737441 605179636 /nfs/dbraw/zinc/17/96/36/605179636.db2.gz CUWJOZHMJKNQIW-UHFFFAOYSA-N -1 0 354.450 -0.463 20 0 FBADRM CS(=O)(=O)CCNC(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000833737776 605921316 /nfs/dbraw/zinc/92/13/16/605921316.db2.gz JWXSTVNQDNDXFC-UHFFFAOYSA-N -1 0 350.299 -0.238 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000833738105 605924575 /nfs/dbraw/zinc/92/45/75/605924575.db2.gz PRDOTLPXALOUEP-UHFFFAOYSA-N -1 0 358.372 -0.499 20 0 FBADRM CS(=O)(=O)CCN(C1CC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833738132 605179513 /nfs/dbraw/zinc/17/95/13/605179513.db2.gz RBVHPRJTGOYZIW-UHFFFAOYSA-N -1 0 351.406 -0.835 20 0 FBADRM CSC[C@H](C(=O)NC[C@H](O)C(=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000833738698 605091452 /nfs/dbraw/zinc/09/14/52/605091452.db2.gz QDAIZTHUIKNGIL-DBIOUOCHSA-N -1 0 358.416 -0.545 20 0 FBADRM CSC[C@H](C(=O)NC[C@H](O)C(=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000833738699 605091308 /nfs/dbraw/zinc/09/13/08/605091308.db2.gz QDAIZTHUIKNGIL-MMWGEVLESA-N -1 0 358.416 -0.545 20 0 FBADRM CSC[C@@H](C(=O)NC[C@H](O)C(=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000833738700 605091663 /nfs/dbraw/zinc/09/16/63/605091663.db2.gz QDAIZTHUIKNGIL-VLEAKVRGSA-N -1 0 358.416 -0.545 20 0 FBADRM CSC[C@H](C(=O)NC[C@H](O)C(=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000833738701 605091639 /nfs/dbraw/zinc/09/16/39/605091639.db2.gz QDAIZTHUIKNGIL-YTWAJWBKSA-N -1 0 358.416 -0.545 20 0 FBADRM C[C@@H](O)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC000833739098 605057526 /nfs/dbraw/zinc/05/75/26/605057526.db2.gz GKMIRIWEHBEHNH-SNVBAGLBSA-N -1 0 351.359 -0.343 20 0 FBADRM C[C@H](NC(=O)[O-])C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000833739751 604941255 /nfs/dbraw/zinc/94/12/55/604941255.db2.gz QNBCTOXIOOVPIX-NSHDSACASA-N -1 0 371.415 -0.020 20 0 FBADRM C[C@H](NC(=O)[O-])C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000833740133 604964663 /nfs/dbraw/zinc/96/46/63/604964663.db2.gz CYESDRLQIQHHFH-VIFPVBQESA-N -1 0 373.387 -0.808 20 0 FBADRM C[C@H](NC(=O)[O-])C(=O)OCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000833740415 604962446 /nfs/dbraw/zinc/96/24/46/604962446.db2.gz KINQIUVQLIMSCD-QMMMGPOBSA-N -1 0 371.371 -0.578 20 0 FBADRM C[C@H](NC(=O)[O-])C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000833740498 604962310 /nfs/dbraw/zinc/96/23/10/604962310.db2.gz MTZGUBCZIPSJOK-JTQLQIEISA-N -1 0 353.331 -0.237 20 0 FBADRM C[C@H](NC(=O)[O-])C(=O)OCC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000833740764 604962364 /nfs/dbraw/zinc/96/23/64/604962364.db2.gz SJNDFFNIWXOAOK-VIFPVBQESA-N -1 0 358.372 -0.094 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)CCN1S(C)(=O)=O ZINC000833740938 605186377 /nfs/dbraw/zinc/18/63/77/605186377.db2.gz UUWPPPINNTVMGV-VIFPVBQESA-N -1 0 372.403 -0.846 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CCN1S(C)(=O)=O ZINC000833740974 605186630 /nfs/dbraw/zinc/18/66/30/605186630.db2.gz ZCYGIAHSROXYII-JTQLQIEISA-N -1 0 369.399 -0.184 20 0 FBADRM Cc1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n2nc(C(=O)[O-])nc2n1 ZINC000833746040 605133609 /nfs/dbraw/zinc/13/36/09/605133609.db2.gz LEBMMMQYLQJDBG-VIFPVBQESA-N -1 0 354.392 -0.399 20 0 FBADRM Cc1cc(N2CCN(CCc3cn(CC(=O)[O-])nn3)CC2)n2ncnc2n1 ZINC000833746278 604872723 /nfs/dbraw/zinc/87/27/23/604872723.db2.gz WWJUIYNSPQKVAB-UHFFFAOYSA-N -1 0 371.405 -0.526 20 0 FBADRM Cc1nnc(CN2CCN(c3cc(C)nc4nc(C(=O)[O-])nn43)CC2)[nH]1 ZINC000833746344 605379401 /nfs/dbraw/zinc/37/94/01/605379401.db2.gz ZWZHDBBTZRWSRD-UHFFFAOYSA-N -1 0 357.378 -0.120 20 0 FBADRM Cc1ccc(S(=O)(=O)NC2CCN(CC(N)=O)CC2)c(C(=O)[O-])c1 ZINC000833751186 605192980 /nfs/dbraw/zinc/19/29/80/605192980.db2.gz DDMURRWABDTZEF-UHFFFAOYSA-N -1 0 355.416 -0.079 20 0 FBADRM Cc1cnc(N)c(S(=O)(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)c1 ZINC000833753783 605194419 /nfs/dbraw/zinc/19/44/19/605194419.db2.gz BAKGVCDQLJSODP-UHFFFAOYSA-N -1 0 363.417 -0.717 20 0 FBADRM Cc1cnc(N)c(S(=O)(=O)N(CCN2CCOCC2)CC(=O)[O-])c1 ZINC000833753787 605189954 /nfs/dbraw/zinc/18/99/54/605189954.db2.gz BRHURDMURIWIBM-UHFFFAOYSA-N -1 0 358.420 -0.620 20 0 FBADRM Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000833756481 605727634 /nfs/dbraw/zinc/72/76/34/605727634.db2.gz KUVYEYHDEXOCPY-UHFFFAOYSA-N -1 0 371.361 -0.761 20 0 FBADRM Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NC[C@H](O)C(=O)[O-])cc12 ZINC000833756494 605093190 /nfs/dbraw/zinc/09/31/90/605093190.db2.gz LSDYOPKMVPTOQB-APPZFPTMSA-N -1 0 354.388 -0.377 20 0 FBADRM Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NC[C@H](O)C(=O)[O-])cc12 ZINC000833756498 605092868 /nfs/dbraw/zinc/09/28/68/605092868.db2.gz LSDYOPKMVPTOQB-CBAPKCEASA-N -1 0 354.388 -0.377 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)N3CCC(O)(C(=O)[O-])CC3)cc12 ZINC000833756717 604704456 /nfs/dbraw/zinc/70/44/56/604704456.db2.gz PIFHMEAPDRYODQ-UHFFFAOYSA-N -1 0 354.388 -0.123 20 0 FBADRM Cc1sc2ncc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])c(=O)n2c1C ZINC000833758755 605233349 /nfs/dbraw/zinc/23/33/49/605233349.db2.gz QDHWEZLLXGNXGY-JTQLQIEISA-N -1 0 364.383 -0.212 20 0 FBADRM Cc1sc2ncc(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])c(=O)n2c1C ZINC000833758756 605233534 /nfs/dbraw/zinc/23/35/34/605233534.db2.gz QDHWEZLLXGNXGY-SNVBAGLBSA-N -1 0 364.383 -0.212 20 0 FBADRM Cn1ncnc1COc1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1 ZINC000833759290 605442872 /nfs/dbraw/zinc/44/28/72/605442872.db2.gz BHACRFVWXBWZLK-NSHDSACASA-N -1 0 356.360 -0.882 20 0 FBADRM Cn1ncnc1COc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC000833759316 605211249 /nfs/dbraw/zinc/21/12/49/605211249.db2.gz DSBKJXRMEKDQDK-LLVKDONJSA-N -1 0 356.360 -0.882 20 0 FBADRM Cn1ncnc1COc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC000833759317 605212527 /nfs/dbraw/zinc/21/25/27/605212527.db2.gz DSBKJXRMEKDQDK-NSHDSACASA-N -1 0 356.360 -0.882 20 0 FBADRM Cn1ccnc1CN1CCC[C@@H](NC(=O)N2CCN(C(=O)[O-])CC2)C1=O ZINC000833759436 605288856 /nfs/dbraw/zinc/28/88/56/605288856.db2.gz CGABKHUANGEGKC-GFCCVEGCSA-N -1 0 364.406 -0.084 20 0 FBADRM Cn1ccnc1CN1CCC[C@H](NC(=O)N2CCN(C(=O)[O-])CC2)C1=O ZINC000833759437 605288715 /nfs/dbraw/zinc/28/87/15/605288715.db2.gz CGABKHUANGEGKC-LBPRGKRZSA-N -1 0 364.406 -0.084 20 0 FBADRM Cn1[nH]cnc1=NC(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000833759509 605025051 /nfs/dbraw/zinc/02/50/51/605025051.db2.gz MANXDBRMODBRFI-UHFFFAOYSA-N -1 0 367.387 -0.442 20 0 FBADRM Cn1[nH]cnc1=NC(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833759916 605025111 /nfs/dbraw/zinc/02/51/11/605025111.db2.gz ZQTNXTDPJMGCOK-MRVPVSSYSA-N -1 0 350.360 -0.076 20 0 FBADRM Cn1[nH]cnc1=NC(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833759917 605025182 /nfs/dbraw/zinc/02/51/82/605025182.db2.gz ZQTNXTDPJMGCOK-QMMMGPOBSA-N -1 0 350.360 -0.076 20 0 FBADRM Cn1ccnc1CN1CCC[C@@H](NS(=O)(=O)CCCC(=O)[O-])C1=O ZINC000833760080 605269375 /nfs/dbraw/zinc/26/93/75/605269375.db2.gz LHQFAXSRUYNGBR-LLVKDONJSA-N -1 0 358.420 -0.305 20 0 FBADRM Cn1ccnc1CN1CCC[C@H](NS(=O)(=O)CCCC(=O)[O-])C1=O ZINC000833760081 605269435 /nfs/dbraw/zinc/26/94/35/605269435.db2.gz LHQFAXSRUYNGBR-NSHDSACASA-N -1 0 358.420 -0.305 20 0 FBADRM Cn1ccnc1CN1CCC[C@@H](NC(=O)NC2CN(C(=O)[O-])C2)C1=O ZINC000833761048 606011494 /nfs/dbraw/zinc/01/14/94/606011494.db2.gz XFDCZISPPHYBKS-LLVKDONJSA-N -1 0 350.379 -0.428 20 0 FBADRM Cn1ccnc1CN1CCC[C@H](NC(=O)NC2CN(C(=O)[O-])C2)C1=O ZINC000833761050 606011529 /nfs/dbraw/zinc/01/15/29/606011529.db2.gz XFDCZISPPHYBKS-NSHDSACASA-N -1 0 350.379 -0.428 20 0 FBADRM NC(=O)CNC(=O)c1cccc(OS(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC000833761479 605204764 /nfs/dbraw/zinc/20/47/64/605204764.db2.gz DPDNRMKMGRKSKW-UHFFFAOYSA-N -1 0 368.323 -0.039 20 0 FBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC000833761529 605102812 /nfs/dbraw/zinc/10/28/12/605102812.db2.gz HUWBNUQOHQUTSE-UHFFFAOYSA-N -1 0 356.338 -0.075 20 0 FBADRM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NC1CN(C(=O)[O-])C1 ZINC000833761557 605369147 /nfs/dbraw/zinc/36/91/47/605369147.db2.gz JNSZVCNOLDTNCD-UHFFFAOYSA-N -1 0 363.779 -0.155 20 0 FBADRM NC(=O)COCCNS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC000833761559 605194094 /nfs/dbraw/zinc/19/40/94/605194094.db2.gz JQYPCUOOHZXFOS-UHFFFAOYSA-N -1 0 353.356 -0.287 20 0 FBADRM NC(=O)COc1ccc(CNC(=O)CN[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000833761617 604488835 /nfs/dbraw/zinc/48/88/35/604488835.db2.gz MSVCBOJUQVLYOP-INIZCTEOSA-N -1 0 351.359 -1.000 20 0 FBADRM NC(=O)COc1ccc(CNC(=O)CN[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000833761618 604488240 /nfs/dbraw/zinc/48/82/40/604488240.db2.gz MSVCBOJUQVLYOP-MRXNPFEDSA-N -1 0 351.359 -1.000 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])o1 ZINC000833761622 605859363 /nfs/dbraw/zinc/85/93/63/605859363.db2.gz MURHNKSVYTWEAJ-SECBINFHSA-N -1 0 373.387 -0.487 20 0 FBADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)N2CCCCC[C@H]2C(=O)[O-])o1 ZINC000833761623 605859111 /nfs/dbraw/zinc/85/91/11/605859111.db2.gz MURHNKSVYTWEAJ-VIFPVBQESA-N -1 0 373.387 -0.487 20 0 FBADRM NC(=O)CNC(=O)c1ccc(OS(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000833761719 605204872 /nfs/dbraw/zinc/20/48/72/605204872.db2.gz UBODERIMRXTNCO-UHFFFAOYSA-N -1 0 368.323 -0.039 20 0 FBADRM NC(=O)COc1cccc(CNC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)c1 ZINC000833761822 604895085 /nfs/dbraw/zinc/89/50/85/604895085.db2.gz ZUAZXFWRNNEAIF-HNNXBMFYSA-N -1 0 365.386 -0.082 20 0 FBADRM NC(=O)COc1cccc(CNC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)c1 ZINC000833761823 604894885 /nfs/dbraw/zinc/89/48/85/604894885.db2.gz ZUAZXFWRNNEAIF-OAHLLOKOSA-N -1 0 365.386 -0.082 20 0 FBADRM NS(=O)(=O)c1cc(F)cc(NC(=O)N2CCC(O)(C(=O)[O-])CC2)c1 ZINC000833761875 604733392 /nfs/dbraw/zinc/73/33/92/604733392.db2.gz CEQMTOMRVOXBRZ-UHFFFAOYSA-N -1 0 361.351 -0.084 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)cn1 ZINC000833762009 605271318 /nfs/dbraw/zinc/27/13/18/605271318.db2.gz JPWLXYGXZSDWPL-GFCCVEGCSA-N -1 0 351.340 -0.010 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc(O)c2)cn1 ZINC000833762010 605271463 /nfs/dbraw/zinc/27/14/63/605271463.db2.gz JPWLXYGXZSDWPL-LBPRGKRZSA-N -1 0 351.340 -0.010 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c(F)c1 ZINC000833762016 605542472 /nfs/dbraw/zinc/54/24/72/605542472.db2.gz JTOMGDNLTXTVCH-UHFFFAOYSA-N -1 0 369.334 -0.540 20 0 FBADRM NC(=O)c1ccc(N2CCN(CCc3cn(CC(=O)[O-])nn3)CC2)nc1 ZINC000833762043 604922017 /nfs/dbraw/zinc/92/20/17/604922017.db2.gz ASRYPYUIVHVFLS-UHFFFAOYSA-N -1 0 359.390 -0.779 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)s1 ZINC000833762212 605534823 /nfs/dbraw/zinc/53/48/23/605534823.db2.gz NNZXBIXZXNMRPF-UHFFFAOYSA-N -1 0 357.373 -0.618 20 0 FBADRM NC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)c(F)c1 ZINC000833762231 605031295 /nfs/dbraw/zinc/03/12/95/605031295.db2.gz GMDAAWIDVGXBLD-SECBINFHSA-N -1 0 353.306 -0.435 20 0 FBADRM NC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c(F)c1 ZINC000833762232 605031111 /nfs/dbraw/zinc/03/11/11/605031111.db2.gz GMDAAWIDVGXBLD-VIFPVBQESA-N -1 0 353.306 -0.435 20 0 FBADRM NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N[C@H](CC(=O)[O-])C2CC2)c1 ZINC000833762367 605669360 /nfs/dbraw/zinc/66/93/60/605669360.db2.gz PQTKNLZTNSQPHK-LLVKDONJSA-N -1 0 373.362 -0.219 20 0 FBADRM NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N[C@@H](CC(=O)[O-])C2CC2)c1 ZINC000833762369 605669372 /nfs/dbraw/zinc/66/93/72/605669372.db2.gz PQTKNLZTNSQPHK-NSHDSACASA-N -1 0 373.362 -0.219 20 0 FBADRM NS(=O)(=O)c1ccc(Br)c(C(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000833762401 605088380 /nfs/dbraw/zinc/08/83/80/605088380.db2.gz RQVWOTJMEOWNMA-QMMMGPOBSA-N -1 0 367.177 -0.728 20 0 FBADRM NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)OCC(=O)NCC(=O)[O-])c1 ZINC000833762410 605059114 /nfs/dbraw/zinc/05/91/14/605059114.db2.gz SCGOEUHVUHDFNR-UHFFFAOYSA-N -1 0 368.726 -0.516 20 0 FBADRM NC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)c1 ZINC000833762475 604910659 /nfs/dbraw/zinc/91/06/59/604910659.db2.gz MQDBBKYVQSJZHY-GFCCVEGCSA-N -1 0 367.333 -0.453 20 0 FBADRM NC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)c1 ZINC000833762477 604910625 /nfs/dbraw/zinc/91/06/25/604910625.db2.gz MQDBBKYVQSJZHY-LBPRGKRZSA-N -1 0 367.333 -0.453 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)cn1 ZINC000833762590 605050503 /nfs/dbraw/zinc/05/05/03/605050503.db2.gz XCMYMAKSUDYFHP-LLVKDONJSA-N -1 0 357.388 -0.175 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)cn1 ZINC000833762591 605050615 /nfs/dbraw/zinc/05/06/15/605050615.db2.gz XCMYMAKSUDYFHP-NSHDSACASA-N -1 0 357.388 -0.175 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)Nc2nnc(CCC(=O)[O-])s2)cn1 ZINC000833762632 605048401 /nfs/dbraw/zinc/04/84/01/605048401.db2.gz YYRUQCORQCWYGE-UHFFFAOYSA-N -1 0 357.373 -0.150 20 0 FBADRM NC(=O)c1ccc(NC(=O)C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)c(F)c1 ZINC000833762839 605034221 /nfs/dbraw/zinc/03/42/21/605034221.db2.gz ZBKXUDBESWHBII-GFCCVEGCSA-N -1 0 367.333 -0.453 20 0 FBADRM NC(=O)c1ccc(NC(=O)C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)c(F)c1 ZINC000833762840 605034253 /nfs/dbraw/zinc/03/42/53/605034253.db2.gz ZBKXUDBESWHBII-LBPRGKRZSA-N -1 0 367.333 -0.453 20 0 FBADRM O=C(CN[C@@]1(C(=O)[O-])CCOC1)NCCOc1ccc2c(c1)OCO2 ZINC000833764204 604491373 /nfs/dbraw/zinc/49/13/73/604491373.db2.gz BHSYUCJUCJIAQI-INIZCTEOSA-N -1 0 352.343 -0.256 20 0 FBADRM O=C(CN[C@]1(C(=O)[O-])CCOC1)NCCOc1ccc2c(c1)OCO2 ZINC000833764205 604490947 /nfs/dbraw/zinc/49/09/47/604490947.db2.gz BHSYUCJUCJIAQI-MRXNPFEDSA-N -1 0 352.343 -0.256 20 0 FBADRM O=C(C[NH2+]C1(C(=O)[O-])CCS(=O)(=O)CC1)[N-]OCc1ccccc1 ZINC000833764220 604912039 /nfs/dbraw/zinc/91/20/39/604912039.db2.gz BWBAYHSQGRKXRW-UHFFFAOYSA-N -1 0 356.400 -0.144 20 0 FBADRM O=C([O-])[C@]1(NCC(=O)Nc2cc(-n3cnnn3)ccc2F)CCOC1 ZINC000833764364 604485938 /nfs/dbraw/zinc/48/59/38/604485938.db2.gz DIJPLDCFYBKVLP-AWEZNQCLSA-N -1 0 350.310 -0.427 20 0 FBADRM O=C([O-])[C@@]1(NCC(=O)Nc2cc(-n3cnnn3)ccc2F)CCOC1 ZINC000833764365 604485420 /nfs/dbraw/zinc/48/54/20/604485420.db2.gz DIJPLDCFYBKVLP-CQSZACIVSA-N -1 0 350.310 -0.427 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000833766492 605073428 /nfs/dbraw/zinc/07/34/28/605073428.db2.gz SNQCUNMFLPLQAM-YPMHNXCESA-N -1 0 354.384 -0.213 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000833767587 605082378 /nfs/dbraw/zinc/08/23/78/605082378.db2.gz ISPOVIIHDUKBGS-FZMZJTMJSA-N -1 0 357.370 -0.035 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000833767588 605082407 /nfs/dbraw/zinc/08/24/07/605082407.db2.gz ISPOVIIHDUKBGS-RISCZKNCSA-N -1 0 357.370 -0.035 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000833767602 604897845 /nfs/dbraw/zinc/89/78/45/604897845.db2.gz JPKUFCVLOPQIKV-NSHDSACASA-N -1 0 365.371 -0.981 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000833767679 605272475 /nfs/dbraw/zinc/27/24/75/605272475.db2.gz LZPSPFBKJLOZOD-NSHDSACASA-N -1 0 365.371 -0.981 20 0 FBADRM O=C([O-])[C@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000833767886 605280904 /nfs/dbraw/zinc/28/09/04/605280904.db2.gz SWEWSCLXLJBOIR-NSHDSACASA-N -1 0 360.363 -0.215 20 0 FBADRM O=C([O-])[C@H](CO)NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000833767976 605281760 /nfs/dbraw/zinc/28/17/60/605281760.db2.gz VWEBLRPUWPFWMK-GWCFXTLKSA-N -1 0 362.338 -0.363 20 0 FBADRM O=C([O-])[C@H](CO)NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000833767978 605281891 /nfs/dbraw/zinc/28/18/91/605281891.db2.gz VWEBLRPUWPFWMK-MFKMUULPSA-N -1 0 362.338 -0.363 20 0 FBADRM O=C([O-])c1cc(Br)ccc1NC(=O)C(=O)NC(CO)CO ZINC000833768673 605931970 /nfs/dbraw/zinc/93/19/70/605931970.db2.gz JORLLAOQONROTP-UHFFFAOYSA-N -1 0 361.148 -0.445 20 0 FBADRM O=C([O-])c1cc(NC(=O)C(=O)NC(CO)CO)ccc1Br ZINC000833769052 605084964 /nfs/dbraw/zinc/08/49/64/605084964.db2.gz VBUIKBVZYGINME-UHFFFAOYSA-N -1 0 361.148 -0.445 20 0 FBADRM O=C([O-])N1CC(NC(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C1 ZINC000833769830 605940670 /nfs/dbraw/zinc/94/06/70/605940670.db2.gz MKGTYGJXVLTKJS-UHFFFAOYSA-N -1 0 353.356 -0.567 20 0 FBADRM O=C([O-])C1(O)CCN(C(=O)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000833769987 604737470 /nfs/dbraw/zinc/73/74/70/604737470.db2.gz RSDCIMSEWVDJOF-UHFFFAOYSA-N -1 0 350.327 -0.166 20 0 FBADRM O=C([O-])CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CO)CC2)cc1 ZINC000833774746 605212608 /nfs/dbraw/zinc/21/26/08/605212608.db2.gz FAZAGZQTJNTJNK-UHFFFAOYSA-N -1 0 372.399 -0.635 20 0 FBADRM O=C([O-])CCOc1ccc(S(=O)(=O)NCCN2CCNC(=O)C2)cc1 ZINC000833775056 605866222 /nfs/dbraw/zinc/86/62/22/605866222.db2.gz UTTLYVRLXGWXSR-UHFFFAOYSA-N -1 0 371.415 -0.750 20 0 FBADRM O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NN3CCCNC3=O)cc2)[nH]1 ZINC000833775355 605314370 /nfs/dbraw/zinc/31/43/70/605314370.db2.gz FLERMXPUHMKUTP-UHFFFAOYSA-N -1 0 359.342 -0.147 20 0 FBADRM O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NC[C@@]3(O)CCOC3)cc2)[nH]1 ZINC000833776058 604529968 /nfs/dbraw/zinc/52/99/68/604529968.db2.gz QFOMHGKZGOQAFT-KRWDZBQOSA-N -1 0 361.354 -0.326 20 0 FBADRM O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NC[C@]3(O)CCOC3)cc2)[nH]1 ZINC000833776059 604530000 /nfs/dbraw/zinc/53/00/00/604530000.db2.gz QFOMHGKZGOQAFT-QGZVFWFLSA-N -1 0 361.354 -0.326 20 0 FBADRM O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NCCn3ccnn3)cc2)[nH]1 ZINC000833776459 605259527 /nfs/dbraw/zinc/25/95/27/605259527.db2.gz VFTUMBQCZSUTTB-UHFFFAOYSA-N -1 0 356.342 -0.186 20 0 FBADRM O=C([O-])Cc1ccc(NC(=O)C(=O)NCCNC(=O)c2ccn[nH]2)cc1 ZINC000833776464 605671029 /nfs/dbraw/zinc/67/10/29/605671029.db2.gz VHPGBQJFGCSOKO-UHFFFAOYSA-N -1 0 359.342 -0.479 20 0 FBADRM O=C([O-])c1cc(C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)on1 ZINC000833777956 605879845 /nfs/dbraw/zinc/87/98/45/605879845.db2.gz LXVUBYAKDIJLRN-SSDOTTSWSA-N -1 0 360.369 -0.001 20 0 FBADRM O=C([O-])c1cc(C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)on1 ZINC000833777957 605879542 /nfs/dbraw/zinc/87/95/42/605879542.db2.gz LXVUBYAKDIJLRN-ZETCQYMHSA-N -1 0 360.369 -0.001 20 0 FBADRM O=C([O-])c1cc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)on1 ZINC000833778176 605265763 /nfs/dbraw/zinc/26/57/63/605265763.db2.gz UIBFITCEEAKZHE-UHFFFAOYSA-N -1 0 374.357 -0.369 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NCC(=O)N2CCOCC2)cc(F)c1F ZINC000833779400 605146736 /nfs/dbraw/zinc/14/67/36/605146736.db2.gz DUTGVQFFCIPTIQ-UHFFFAOYSA-N -1 0 364.326 -0.200 20 0 FBADRM O=C([O-])c1cc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c[nH]1 ZINC000833779543 604533606 /nfs/dbraw/zinc/53/36/06/604533606.db2.gz MVXSFWGAQBWMQS-UHFFFAOYSA-N -1 0 358.420 -0.593 20 0 FBADRM O=C([O-])c1cc(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c[nH]1 ZINC000833780131 604524740 /nfs/dbraw/zinc/52/47/40/604524740.db2.gz RHZGECHAPZIFDE-UHFFFAOYSA-N -1 0 350.375 -0.784 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H](O)CN2CCOCC2)cs1 ZINC000833780507 604565208 /nfs/dbraw/zinc/56/52/08/604565208.db2.gz VBKVCUWXTSRMLW-SECBINFHSA-N -1 0 350.418 -0.582 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H](O)CN2CCOCC2)cs1 ZINC000833780508 604565170 /nfs/dbraw/zinc/56/51/70/604565170.db2.gz VBKVCUWXTSRMLW-VIFPVBQESA-N -1 0 350.418 -0.582 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCC(O)(CN3CCOCC3)CC2)o1 ZINC000833781787 605214689 /nfs/dbraw/zinc/21/46/89/605214689.db2.gz OFJWXZNYEUMOJL-UHFFFAOYSA-N -1 0 374.415 -0.174 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@H](N3CCNC3=O)C2)cn1 ZINC000833781922 604692531 /nfs/dbraw/zinc/69/25/31/604692531.db2.gz PJOCQDGHOJEKLR-JTQLQIEISA-N -1 0 354.388 -0.042 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](N3CCNC3=O)C2)cn1 ZINC000833781923 604692328 /nfs/dbraw/zinc/69/23/28/604692328.db2.gz PJOCQDGHOJEKLR-SNVBAGLBSA-N -1 0 354.388 -0.042 20 0 FBADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cn1 ZINC000833782576 605253233 /nfs/dbraw/zinc/25/32/33/605253233.db2.gz JFUTXFFNBYKAKA-GFCCVEGCSA-N -1 0 362.386 -0.101 20 0 FBADRM O=C([O-])c1ccc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cn1 ZINC000833782577 605253157 /nfs/dbraw/zinc/25/31/57/605253157.db2.gz JFUTXFFNBYKAKA-LBPRGKRZSA-N -1 0 362.386 -0.101 20 0 FBADRM O=C([O-])c1ccc(OC[C@H](O)CN2C(=O)N[C@@]3(CCOC3)C2=O)cc1 ZINC000833782743 604537552 /nfs/dbraw/zinc/53/75/52/604537552.db2.gz QTLDVRLRIISHOA-BDJLRTHQSA-N -1 0 350.327 -0.165 20 0 FBADRM O=C([O-])c1ccc(OC[C@H](O)CN2C(=O)N[C@]3(CCOC3)C2=O)cc1 ZINC000833782744 604537268 /nfs/dbraw/zinc/53/72/68/604537268.db2.gz QTLDVRLRIISHOA-BZNIZROVSA-N -1 0 350.327 -0.165 20 0 FBADRM O=C([O-])c1ccc(OC[C@@H](O)CN2C(=O)N[C@@]3(CCOC3)C2=O)cc1 ZINC000833782745 604537576 /nfs/dbraw/zinc/53/75/76/604537576.db2.gz QTLDVRLRIISHOA-MEDUHNTESA-N -1 0 350.327 -0.165 20 0 FBADRM O=C([O-])c1ccc(OC[C@@H](O)CN2C(=O)N[C@]3(CCOC3)C2=O)cc1 ZINC000833782746 604537569 /nfs/dbraw/zinc/53/75/69/604537569.db2.gz QTLDVRLRIISHOA-ZBEGNZNMSA-N -1 0 350.327 -0.165 20 0 FBADRM O=C([O-])c1cccc(CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 ZINC000833783534 605144212 /nfs/dbraw/zinc/14/42/12/605144212.db2.gz ONFLDDOFDIFBRU-CABCVRRESA-N -1 0 354.428 -0.340 20 0 FBADRM O=C([O-])c1cccc(CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 ZINC000833783535 605144050 /nfs/dbraw/zinc/14/40/50/605144050.db2.gz ONFLDDOFDIFBRU-GJZGRUSLSA-N -1 0 354.428 -0.340 20 0 FBADRM O=C([O-])c1cccc(CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 ZINC000833783536 605144058 /nfs/dbraw/zinc/14/40/58/605144058.db2.gz ONFLDDOFDIFBRU-HUUCEWRRSA-N -1 0 354.428 -0.340 20 0 FBADRM O=C([O-])c1cccc(CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 ZINC000833783537 605144013 /nfs/dbraw/zinc/14/40/13/605144013.db2.gz ONFLDDOFDIFBRU-LSDHHAIUSA-N -1 0 354.428 -0.340 20 0 FBADRM O=C([O-])c1ccccc1NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000833783845 605122523 /nfs/dbraw/zinc/12/25/23/605122523.db2.gz YJYQSFUKZHYMLA-UHFFFAOYSA-N -1 0 359.346 -0.252 20 0 FBADRM O=C([O-])c1cn(C2CN(C(=O)c3cncc(N4CCOCC4)c3)C2)nn1 ZINC000833783934 605537741 /nfs/dbraw/zinc/53/77/41/605537741.db2.gz KZKTWXDPEWMANS-UHFFFAOYSA-N -1 0 358.358 -0.095 20 0 FBADRM O=C([O-])c1cn(C2CN(C(=O)c3cccnc3N3CCOCC3)C2)nn1 ZINC000833783952 605534695 /nfs/dbraw/zinc/53/46/95/605534695.db2.gz NWTQKPDIUVPMRV-UHFFFAOYSA-N -1 0 358.358 -0.095 20 0 FBADRM O=C([O-])c1cn(C2CN(C(=O)c3ccc(N4CCOCC4)nc3)C2)nn1 ZINC000833784004 605539985 /nfs/dbraw/zinc/53/99/85/605539985.db2.gz VLNYYKVCXCNQRT-UHFFFAOYSA-N -1 0 358.358 -0.095 20 0 FBADRM O=C([O-])[C@@H](O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000833785974 605051391 /nfs/dbraw/zinc/05/13/91/605051391.db2.gz IGYZZVNFFUJXGZ-AWEZNQCLSA-N -1 0 370.383 -0.136 20 0 FBADRM O=C([O-])[C@H](O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000833785975 605051374 /nfs/dbraw/zinc/05/13/74/605051374.db2.gz IGYZZVNFFUJXGZ-CQSZACIVSA-N -1 0 370.383 -0.136 20 0 FBADRM O=C([O-])[C@@H](O)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)CC1 ZINC000833786121 604910673 /nfs/dbraw/zinc/91/06/73/604910673.db2.gz PKVKDPHFWXQQDF-AWEZNQCLSA-N -1 0 361.354 -0.196 20 0 FBADRM O=C([O-])[C@H](O)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)CC1 ZINC000833786122 604911447 /nfs/dbraw/zinc/91/14/47/604911447.db2.gz PKVKDPHFWXQQDF-CQSZACIVSA-N -1 0 361.354 -0.196 20 0 FBADRM O=C([O-])C1CCN(C(=O)COC(=O)c2cnc3c(c2)NC(=O)CO3)CC1 ZINC000833786175 604825315 /nfs/dbraw/zinc/82/53/15/604825315.db2.gz SPOIXOYDXJSMGN-UHFFFAOYSA-N -1 0 363.326 -0.108 20 0 FBADRM CC(C)[C@@H](CNS(=O)(=O)N1CCC2(CC1)OCCO2)NC(=O)[O-] ZINC000833792731 605369218 /nfs/dbraw/zinc/36/92/18/605369218.db2.gz NDYHUFLESSHOGS-LLVKDONJSA-N -1 0 351.425 -0.048 20 0 FBADRM CC(C)[C@H](CNS(=O)(=O)N1CCC2(CC1)OCCO2)NC(=O)[O-] ZINC000833792732 605369208 /nfs/dbraw/zinc/36/92/08/605369208.db2.gz NDYHUFLESSHOGS-NSHDSACASA-N -1 0 351.425 -0.048 20 0 FBADRM CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)CNC(=O)CNC(=O)[O-] ZINC000833793802 605377340 /nfs/dbraw/zinc/37/73/40/605377340.db2.gz IGGHSOLGOHVKPD-JTQLQIEISA-N -1 0 360.436 -0.566 20 0 FBADRM CC(C)CCNC(=O)[C@H]1CSCN1C(=O)CNC(=O)CNC(=O)[O-] ZINC000833793813 605377722 /nfs/dbraw/zinc/37/77/22/605377722.db2.gz IGGHSOLGOHVKPD-SNVBAGLBSA-N -1 0 360.436 -0.566 20 0 FBADRM CC(C)CS(=O)(=O)N1CCC(NC(=O)COCCNC(=O)[O-])CC1 ZINC000833796730 605332222 /nfs/dbraw/zinc/33/22/22/605332222.db2.gz ISTQCIVPFAOLEA-UHFFFAOYSA-N -1 0 365.452 -0.163 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)Nc1nc(CC(N)=O)cs1 ZINC000833797817 605479161 /nfs/dbraw/zinc/47/91/61/605479161.db2.gz CWKWZZOYDGMFQQ-JTQLQIEISA-N -1 0 357.392 -0.482 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)Oc1ccc(-n2cnnn2)cc1 ZINC000833797903 605535918 /nfs/dbraw/zinc/53/59/18/605535918.db2.gz MTEPLPTWIPMDGQ-ZDUSSCGKSA-N -1 0 362.346 -0.024 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)OCC1CCS(=O)(=O)CC1 ZINC000833797979 605514405 /nfs/dbraw/zinc/51/44/05/605514405.db2.gz VBBKYNCLGUJELL-LBPRGKRZSA-N -1 0 364.420 -0.237 20 0 FBADRM C[C@H](CC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)NC(=O)[O-] ZINC000833799821 605718127 /nfs/dbraw/zinc/71/81/27/605718127.db2.gz MLIYJAFGMIHODC-NEPJUHHUSA-N -1 0 363.436 -0.314 20 0 FBADRM C[C@@H](CC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)NC(=O)[O-] ZINC000833799822 605717800 /nfs/dbraw/zinc/71/78/00/605717800.db2.gz MLIYJAFGMIHODC-NWDGAFQWSA-N -1 0 363.436 -0.314 20 0 FBADRM C[C@@H](CC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)NC(=O)[O-] ZINC000833799823 605718001 /nfs/dbraw/zinc/71/80/01/605718001.db2.gz MLIYJAFGMIHODC-RYUDHWBXSA-N -1 0 363.436 -0.314 20 0 FBADRM C[C@H](CC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)NC(=O)[O-] ZINC000833799824 605717775 /nfs/dbraw/zinc/71/77/75/605717775.db2.gz MLIYJAFGMIHODC-VXGBXAGGSA-N -1 0 363.436 -0.314 20 0 FBADRM C[C@H](CNC(=O)[O-])CNC(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000833806072 606005788 /nfs/dbraw/zinc/00/57/88/606005788.db2.gz CEYLWJPMJRQJOZ-COPLHBTASA-N -1 0 363.436 -0.074 20 0 FBADRM C[C@H](CNC(=O)[O-])CNC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000833806090 606005843 /nfs/dbraw/zinc/00/58/43/606005843.db2.gz CEYLWJPMJRQJOZ-MISXGVKJSA-N -1 0 363.436 -0.074 20 0 FBADRM C[C@H](CNC(=O)[O-])CNC(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000833806092 606005922 /nfs/dbraw/zinc/00/59/22/606005922.db2.gz CEYLWJPMJRQJOZ-MJVIPROJSA-N -1 0 363.436 -0.074 20 0 FBADRM C[C@H](CNC(=O)[O-])CNC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000833806094 606005752 /nfs/dbraw/zinc/00/57/52/606005752.db2.gz CEYLWJPMJRQJOZ-WDMOLILDSA-N -1 0 363.436 -0.074 20 0 FBADRM C[C@H](CNC(=O)[O-])CNC(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000833806346 605794394 /nfs/dbraw/zinc/79/43/94/605794394.db2.gz DJQZQZQUXJCCGK-AXFHLTTASA-N -1 0 350.441 -0.141 20 0 FBADRM C[C@H](CNC(=O)[O-])CNC(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000833806347 605794742 /nfs/dbraw/zinc/79/47/42/605794742.db2.gz DJQZQZQUXJCCGK-DCAQKATOSA-N -1 0 350.441 -0.141 20 0 FBADRM C[C@H](CNC(=O)[O-])CNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000833806348 605794500 /nfs/dbraw/zinc/79/45/00/605794500.db2.gz DJQZQZQUXJCCGK-GARJFASQSA-N -1 0 350.441 -0.141 20 0 FBADRM C[C@H](CNC(=O)[O-])CNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000833806349 605794457 /nfs/dbraw/zinc/79/44/57/605794457.db2.gz DJQZQZQUXJCCGK-HBNTYKKESA-N -1 0 350.441 -0.141 20 0 FBADRM C[C@H](CNC(=O)[O-])CNC(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000833806419 605794735 /nfs/dbraw/zinc/79/47/35/605794735.db2.gz FKGMTNYMTSVGDT-AMJWSMQMSA-N -1 0 355.395 -0.090 20 0 FBADRM C[C@H](CNC(=O)[O-])CNC(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000833806420 605794445 /nfs/dbraw/zinc/79/44/45/605794445.db2.gz FKGMTNYMTSVGDT-FEUHOPSXSA-N -1 0 355.395 -0.090 20 0 FBADRM C[C@H](CNC(=O)[O-])CNC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000833806422 605794785 /nfs/dbraw/zinc/79/47/85/605794785.db2.gz FKGMTNYMTSVGDT-WMFXKJRFSA-N -1 0 355.395 -0.090 20 0 FBADRM C[C@H](CNC(=O)[O-])CNC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000833806424 605794631 /nfs/dbraw/zinc/79/46/31/605794631.db2.gz FKGMTNYMTSVGDT-YHAQOWFVSA-N -1 0 355.395 -0.090 20 0 FBADRM C[C@@H](CNC(=O)[O-])CNC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000833806918 605809411 /nfs/dbraw/zinc/80/94/11/605809411.db2.gz PIBVMYITZSICTG-LLVKDONJSA-N -1 0 373.431 -0.067 20 0 FBADRM C[C@H](CNC(=O)[O-])CNC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000833806919 605809567 /nfs/dbraw/zinc/80/95/67/605809567.db2.gz PIBVMYITZSICTG-NSHDSACASA-N -1 0 373.431 -0.067 20 0 FBADRM C[C@H](CNC(=O)[O-])CNC(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000833807649 605790425 /nfs/dbraw/zinc/79/04/25/605790425.db2.gz LMKJDZVRCUCGIJ-JTQLQIEISA-N -1 0 350.441 -0.139 20 0 FBADRM C[C@@H](CNC(=O)[O-])CNC(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000833807653 605790787 /nfs/dbraw/zinc/79/07/87/605790787.db2.gz LMKJDZVRCUCGIJ-SNVBAGLBSA-N -1 0 350.441 -0.139 20 0 FBADRM C[C@@H](CNC(=O)[O-])CNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000833807670 605825627 /nfs/dbraw/zinc/82/56/27/605825627.db2.gz WJAYRUCRADNFQT-SECBINFHSA-N -1 0 357.388 -0.421 20 0 FBADRM C[C@H](CNC(=O)[O-])CNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000833807673 605825529 /nfs/dbraw/zinc/82/55/29/605825529.db2.gz WJAYRUCRADNFQT-VIFPVBQESA-N -1 0 357.388 -0.421 20 0 FBADRM C[C@@H](CNC(=O)[O-])CNC(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000833808872 605790371 /nfs/dbraw/zinc/79/03/71/605790371.db2.gz QYVOPERHDOXULM-LLVKDONJSA-N -1 0 354.411 -0.026 20 0 FBADRM C[C@H](CNC(=O)[O-])CNC(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000833808873 605790535 /nfs/dbraw/zinc/79/05/35/605790535.db2.gz QYVOPERHDOXULM-NSHDSACASA-N -1 0 354.411 -0.026 20 0 FBADRM C[C@H](CNC(=O)[O-])CNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000833809042 605827702 /nfs/dbraw/zinc/82/77/02/605827702.db2.gz IHCZCBBTXORKFA-KBPBESRZSA-N -1 0 370.450 -0.280 20 0 FBADRM C[C@@H](CNC(=O)[O-])CNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000833809044 605828089 /nfs/dbraw/zinc/82/80/89/605828089.db2.gz IHCZCBBTXORKFA-KGLIPLIRSA-N -1 0 370.450 -0.280 20 0 FBADRM C[C@H](CNC(=O)[O-])CNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000833809046 605828031 /nfs/dbraw/zinc/82/80/31/605828031.db2.gz IHCZCBBTXORKFA-UONOGXRCSA-N -1 0 370.450 -0.280 20 0 FBADRM C[C@@H](CNC(=O)[O-])CNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000833809049 605827944 /nfs/dbraw/zinc/82/79/44/605827944.db2.gz IHCZCBBTXORKFA-ZIAGYGMSSA-N -1 0 370.450 -0.280 20 0 FBADRM C[C@@H](CNC(=O)[O-])CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000833809304 605810198 /nfs/dbraw/zinc/81/01/98/605810198.db2.gz JIQAMNVODOXJKW-SECBINFHSA-N -1 0 355.372 -0.149 20 0 FBADRM C[C@H](CNC(=O)[O-])CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000833809307 605810170 /nfs/dbraw/zinc/81/01/70/605810170.db2.gz JIQAMNVODOXJKW-VIFPVBQESA-N -1 0 355.372 -0.149 20 0 FBADRM C[C@@H](CNC(=O)[O-])CNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000833810871 605827594 /nfs/dbraw/zinc/82/75/94/605827594.db2.gz UEXSSASNWQTDGG-SSDOTTSWSA-N -1 0 352.351 -0.685 20 0 FBADRM C[C@H](CNC(=O)[O-])CNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000833810872 605827650 /nfs/dbraw/zinc/82/76/50/605827650.db2.gz UEXSSASNWQTDGG-ZETCQYMHSA-N -1 0 352.351 -0.685 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000833815157 605669546 /nfs/dbraw/zinc/66/95/46/605669546.db2.gz GTCAXNGXDZADMQ-CHWSQXEVSA-N -1 0 355.439 -0.162 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CCN(C(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000833815160 605669927 /nfs/dbraw/zinc/66/99/27/605669927.db2.gz GTCAXNGXDZADMQ-OLZOCXBDSA-N -1 0 355.439 -0.162 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000833815163 605669961 /nfs/dbraw/zinc/66/99/61/605669961.db2.gz GTCAXNGXDZADMQ-QWHCGFSZSA-N -1 0 355.439 -0.162 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CCN(C(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000833815166 605669681 /nfs/dbraw/zinc/66/96/81/605669681.db2.gz GTCAXNGXDZADMQ-STQMWFEESA-N -1 0 355.439 -0.162 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000833816170 605504889 /nfs/dbraw/zinc/50/48/89/605504889.db2.gz JWLMVSWSJAXHCL-GHMZBOCLSA-N -1 0 350.441 -0.045 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CCN(C(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000833816171 605505236 /nfs/dbraw/zinc/50/52/36/605505236.db2.gz JWLMVSWSJAXHCL-MNOVXSKESA-N -1 0 350.441 -0.045 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CCN(C(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000833816173 605505364 /nfs/dbraw/zinc/50/53/64/605505364.db2.gz JWLMVSWSJAXHCL-QWRGUYRKSA-N -1 0 350.441 -0.045 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000833816174 605504897 /nfs/dbraw/zinc/50/48/97/605504897.db2.gz JWLMVSWSJAXHCL-WDEREUQCSA-N -1 0 350.441 -0.045 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NCCOCCS(C)(=O)=O)C1 ZINC000833816328 605525583 /nfs/dbraw/zinc/52/55/83/605525583.db2.gz KINOZDMMMTUYPP-GHMZBOCLSA-N -1 0 351.425 -0.265 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CCN(C(=O)NCCOCCS(C)(=O)=O)C1 ZINC000833816331 605525472 /nfs/dbraw/zinc/52/54/72/605525472.db2.gz KINOZDMMMTUYPP-MNOVXSKESA-N -1 0 351.425 -0.265 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CCN(C(=O)NCCOCCS(C)(=O)=O)C1 ZINC000833816333 605525632 /nfs/dbraw/zinc/52/56/32/605525632.db2.gz KINOZDMMMTUYPP-QWRGUYRKSA-N -1 0 351.425 -0.265 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NCCOCCS(C)(=O)=O)C1 ZINC000833816336 605525438 /nfs/dbraw/zinc/52/54/38/605525438.db2.gz KINOZDMMMTUYPP-WDEREUQCSA-N -1 0 351.425 -0.265 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)CCO1 ZINC000833816879 605706206 /nfs/dbraw/zinc/70/62/06/605706206.db2.gz FRVSXQSXVUEOIZ-GZMMTYOYSA-N -1 0 350.331 -0.090 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)CCO1 ZINC000833816883 605706252 /nfs/dbraw/zinc/70/62/52/605706252.db2.gz FRVSXQSXVUEOIZ-KCJUWKMLSA-N -1 0 350.331 -0.090 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)CCO1 ZINC000833816886 605706500 /nfs/dbraw/zinc/70/65/00/605706500.db2.gz FRVSXQSXVUEOIZ-KWQFWETISA-N -1 0 350.331 -0.090 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)CCO1 ZINC000833816889 605706493 /nfs/dbraw/zinc/70/64/93/605706493.db2.gz FRVSXQSXVUEOIZ-LDYMZIIASA-N -1 0 350.331 -0.090 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)N2CCOC(C)(C)C2)CCO1 ZINC000833817616 606082062 /nfs/dbraw/zinc/08/20/62/606082062.db2.gz ICYFHLJNOUHROQ-GHMZBOCLSA-N -1 0 351.425 -0.301 20 0 FBADRM C[C@@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)N2CCOC(C)(C)C2)CCO1 ZINC000833817618 606081881 /nfs/dbraw/zinc/08/18/81/606081881.db2.gz ICYFHLJNOUHROQ-MNOVXSKESA-N -1 0 351.425 -0.301 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)N2CCOC(C)(C)C2)CCO1 ZINC000833817620 606082130 /nfs/dbraw/zinc/08/21/30/606082130.db2.gz ICYFHLJNOUHROQ-QWRGUYRKSA-N -1 0 351.425 -0.301 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)N2CCOC(C)(C)C2)CCO1 ZINC000833817622 606081758 /nfs/dbraw/zinc/08/17/58/606081758.db2.gz ICYFHLJNOUHROQ-WDEREUQCSA-N -1 0 351.425 -0.301 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CCO1 ZINC000833818405 605872392 /nfs/dbraw/zinc/87/23/92/605872392.db2.gz KYOGPSNNALNRQF-DMDPSCGWSA-N -1 0 374.419 -0.110 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)CCO1 ZINC000833818408 605872134 /nfs/dbraw/zinc/87/21/34/605872134.db2.gz KYOGPSNNALNRQF-GMXVVIOVSA-N -1 0 374.419 -0.110 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)CCO1 ZINC000833818410 605872465 /nfs/dbraw/zinc/87/24/65/605872465.db2.gz KYOGPSNNALNRQF-GVXVVHGQSA-N -1 0 374.419 -0.110 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CCO1 ZINC000833818412 605872196 /nfs/dbraw/zinc/87/21/96/605872196.db2.gz KYOGPSNNALNRQF-LOWVWBTDSA-N -1 0 374.419 -0.110 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000833819413 605533409 /nfs/dbraw/zinc/53/34/09/605533409.db2.gz SYIKZTNBUXRWCJ-QJPTWQEYSA-N -1 0 362.452 -0.045 20 0 FBADRM C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000833819414 605533477 /nfs/dbraw/zinc/53/34/77/605533477.db2.gz SYIKZTNBUXRWCJ-SDDRHHMPSA-N -1 0 362.452 -0.045 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CCN(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000833819415 605533484 /nfs/dbraw/zinc/53/34/84/605533484.db2.gz SYIKZTNBUXRWCJ-SRVKXCTJSA-N -1 0 362.452 -0.045 20 0 FBADRM C[C@H](NC(=O)[O-])[C@H]1CCN(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000833819416 605533483 /nfs/dbraw/zinc/53/34/83/605533483.db2.gz SYIKZTNBUXRWCJ-TUAOUCFPSA-N -1 0 362.452 -0.045 20 0 FBADRM C[C@@]1(CNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)CCCN(C(=O)[O-])C1 ZINC000833823730 605616144 /nfs/dbraw/zinc/61/61/44/605616144.db2.gz LTVYSKWDKLBVFG-HNNXBMFYSA-N -1 0 366.378 -0.797 20 0 FBADRM C[C@]1(CNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)CCCN(C(=O)[O-])C1 ZINC000833823731 605616320 /nfs/dbraw/zinc/61/63/20/605616320.db2.gz LTVYSKWDKLBVFG-OAHLLOKOSA-N -1 0 366.378 -0.797 20 0 FBADRM CC1(CNC(=O)C(=O)Nc2cnc3c(c2)CN(C(=O)[O-])CC3)OCCO1 ZINC000833823816 605942087 /nfs/dbraw/zinc/94/20/87/605942087.db2.gz ONPSRRDDZKYORD-UHFFFAOYSA-N -1 0 364.358 -0.065 20 0 FBADRM CC1(CNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)CCN(C(=O)[O-])CC1 ZINC000833824380 605614394 /nfs/dbraw/zinc/61/43/94/605614394.db2.gz WYUMCTWJBXIHSZ-UHFFFAOYSA-N -1 0 366.378 -0.797 20 0 FBADRM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCC(=O)NCCN1CCOCC1 ZINC000833824749 606044455 /nfs/dbraw/zinc/04/44/55/606044455.db2.gz HXMCOYTZNGPOJH-CXAGYDPISA-N -1 0 370.450 -0.233 20 0 FBADRM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCC(=O)NCCN1CCOCC1 ZINC000833824750 606044629 /nfs/dbraw/zinc/04/46/29/606044629.db2.gz HXMCOYTZNGPOJH-DYVFJYSZSA-N -1 0 370.450 -0.233 20 0 FBADRM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCC(=O)NCCN1CCOCC1 ZINC000833824751 606044560 /nfs/dbraw/zinc/04/45/60/606044560.db2.gz HXMCOYTZNGPOJH-GUYCJALGSA-N -1 0 370.450 -0.233 20 0 FBADRM C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCC(=O)NCCN1CCOCC1 ZINC000833824752 606044163 /nfs/dbraw/zinc/04/41/63/606044163.db2.gz HXMCOYTZNGPOJH-SUMWQHHRSA-N -1 0 370.450 -0.233 20 0 FBADRM C[C@@H]1[C@H](C)N(C(=O)[O-])CCN1Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000833827297 606042735 /nfs/dbraw/zinc/04/27/35/606042735.db2.gz KQGHBCAGUIZCHF-BDAKNGLRSA-N -1 0 350.379 -0.467 20 0 FBADRM C[C@@H]1[C@H](C)N(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CCN1C(=O)[O-] ZINC000833827302 606042315 /nfs/dbraw/zinc/04/23/15/606042315.db2.gz KQGHBCAGUIZCHF-DTWKUNHWSA-N -1 0 350.379 -0.467 20 0 FBADRM C[C@H]1[C@H](C)N(C(=O)[O-])CCN1Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000833827305 606042321 /nfs/dbraw/zinc/04/23/21/606042321.db2.gz KQGHBCAGUIZCHF-IUCAKERBSA-N -1 0 350.379 -0.467 20 0 FBADRM C[C@@H]1[C@@H](C)N(C(=O)[O-])CCN1Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000833827307 606042592 /nfs/dbraw/zinc/04/25/92/606042592.db2.gz KQGHBCAGUIZCHF-RKDXNWHRSA-N -1 0 350.379 -0.467 20 0 FBADRM C[C@@H]1[C@@H](C)N(C(=O)[O-])CCN1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000833831078 605357770 /nfs/dbraw/zinc/35/77/70/605357770.db2.gz XRGKDMQTBJTTSE-GHMZBOCLSA-N -1 0 364.406 -0.494 20 0 FBADRM C[C@@H]1[C@H](C)N(C(=O)[O-])CCN1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000833831079 605357519 /nfs/dbraw/zinc/35/75/19/605357519.db2.gz XRGKDMQTBJTTSE-MNOVXSKESA-N -1 0 364.406 -0.494 20 0 FBADRM C[C@H]1[C@H](C)N(C(=O)[O-])CCN1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000833831080 605357492 /nfs/dbraw/zinc/35/74/92/605357492.db2.gz XRGKDMQTBJTTSE-QWRGUYRKSA-N -1 0 364.406 -0.494 20 0 FBADRM C[C@@H]1[C@H](C)N(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CCN1C(=O)[O-] ZINC000833831081 605358223 /nfs/dbraw/zinc/35/82/23/605358223.db2.gz XRGKDMQTBJTTSE-WDEREUQCSA-N -1 0 364.406 -0.494 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833831642 605891013 /nfs/dbraw/zinc/89/10/13/605891013.db2.gz OUNZGKCTPVDSJQ-BBBLOLIVSA-N -1 0 367.406 -0.785 20 0 FBADRM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833831644 605890848 /nfs/dbraw/zinc/89/08/48/605890848.db2.gz OUNZGKCTPVDSJQ-KXUCPTDWSA-N -1 0 367.406 -0.785 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833831646 605890872 /nfs/dbraw/zinc/89/08/72/605890872.db2.gz OUNZGKCTPVDSJQ-OPRDCNLKSA-N -1 0 367.406 -0.785 20 0 FBADRM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833831648 605890515 /nfs/dbraw/zinc/89/05/15/605890515.db2.gz OUNZGKCTPVDSJQ-UTLUCORTSA-N -1 0 367.406 -0.785 20 0 FBADRM CC[C@](C)(CNC(=O)[O-])C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000833837697 605690547 /nfs/dbraw/zinc/69/05/47/605690547.db2.gz KFCUPCFTFOLHDU-CYBMUJFWSA-N -1 0 351.425 -0.552 20 0 FBADRM CC[C@@](C)(CNC(=O)[O-])C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000833837699 605690727 /nfs/dbraw/zinc/69/07/27/605690727.db2.gz KFCUPCFTFOLHDU-ZDUSSCGKSA-N -1 0 351.425 -0.552 20 0 FBADRM CC[C@@](C)(CNC(=O)[O-])C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000833838756 605687768 /nfs/dbraw/zinc/68/77/68/605687768.db2.gz DVIIWMCGZBZPGA-AWEZNQCLSA-N -1 0 364.468 -0.636 20 0 FBADRM CC[C@](C)(CNC(=O)[O-])C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000833838759 605688841 /nfs/dbraw/zinc/68/88/41/605688841.db2.gz DVIIWMCGZBZPGA-CQSZACIVSA-N -1 0 364.468 -0.636 20 0 FBADRM CC[C@@](C)(CNC(=O)[O-])C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000833840669 605684410 /nfs/dbraw/zinc/68/44/10/605684410.db2.gz MQOIASAMJYALJB-HZMBPMFUSA-N -1 0 363.436 -0.520 20 0 FBADRM CC[C@](C)(CNC(=O)[O-])C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000833840670 605684393 /nfs/dbraw/zinc/68/43/93/605684393.db2.gz MQOIASAMJYALJB-IINYFYTJSA-N -1 0 363.436 -0.520 20 0 FBADRM CC[C@](C)(CNC(=O)[O-])C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000833840671 605684203 /nfs/dbraw/zinc/68/42/03/605684203.db2.gz MQOIASAMJYALJB-QMTHXVAHSA-N -1 0 363.436 -0.520 20 0 FBADRM CC[C@@](C)(CNC(=O)[O-])C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000833840672 605684318 /nfs/dbraw/zinc/68/43/18/605684318.db2.gz MQOIASAMJYALJB-YGRLFVJLSA-N -1 0 363.436 -0.520 20 0 FBADRM CCC(CC)(CNC(=O)[O-])C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000833840723 605862197 /nfs/dbraw/zinc/86/21/97/605862197.db2.gz BHYOWZDLLRILPJ-UHFFFAOYSA-N -1 0 367.410 -0.582 20 0 FBADRM CC[C@@](C)(CNC(=O)[O-])C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 ZINC000833842737 605696685 /nfs/dbraw/zinc/69/66/85/605696685.db2.gz XUOQLYYIDPYMPZ-INIZCTEOSA-N -1 0 356.423 -0.133 20 0 FBADRM CC[C@](C)(CNC(=O)[O-])C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 ZINC000833842738 605696548 /nfs/dbraw/zinc/69/65/48/605696548.db2.gz XUOQLYYIDPYMPZ-MRXNPFEDSA-N -1 0 356.423 -0.133 20 0 FBADRM CC[C@@]1(C(=O)NCCS(=O)(=O)N2CCOCC2)CCCN1C(=O)[O-] ZINC000833843243 605764676 /nfs/dbraw/zinc/76/46/76/605764676.db2.gz KAHHMEDLLWBPLE-AWEZNQCLSA-N -1 0 363.436 -0.313 20 0 FBADRM CC[C@]1(C(=O)NCCS(=O)(=O)N2CCOCC2)CCCN1C(=O)[O-] ZINC000833843244 605765058 /nfs/dbraw/zinc/76/50/58/605765058.db2.gz KAHHMEDLLWBPLE-CQSZACIVSA-N -1 0 363.436 -0.313 20 0 FBADRM CC[C@@]1(C)CC(=O)N(CN(C)CC(=O)N2CCN(C(=O)[O-])CC2)C1=O ZINC000833845357 605448987 /nfs/dbraw/zinc/44/89/87/605448987.db2.gz MDCARNACRKHOKQ-INIZCTEOSA-N -1 0 354.407 -0.127 20 0 FBADRM CC[C@]1(C)CC(=O)N(CN(C)CC(=O)N2CCN(C(=O)[O-])CC2)C1=O ZINC000833845359 605448981 /nfs/dbraw/zinc/44/89/81/605448981.db2.gz MDCARNACRKHOKQ-MRXNPFEDSA-N -1 0 354.407 -0.127 20 0 FBADRM CC[C@@H]1CN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1NC(=O)[O-] ZINC000833848085 605352658 /nfs/dbraw/zinc/35/26/58/605352658.db2.gz LQIZYIRAISWWDW-ANCZFUFASA-N -1 0 364.402 -0.008 20 0 FBADRM CC[C@@H]1CN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1NC(=O)[O-] ZINC000833848086 605352566 /nfs/dbraw/zinc/35/25/66/605352566.db2.gz LQIZYIRAISWWDW-QJSMKMSWSA-N -1 0 364.402 -0.008 20 0 FBADRM CC[C@@H]1CN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)CC[C@H]1NC(=O)[O-] ZINC000833848087 605352818 /nfs/dbraw/zinc/35/28/18/605352818.db2.gz LQIZYIRAISWWDW-SVJDAXRGSA-N -1 0 364.402 -0.008 20 0 FBADRM CC[C@@H]1CN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC[C@H]1NC(=O)[O-] ZINC000833848088 605352802 /nfs/dbraw/zinc/35/28/02/605352802.db2.gz LQIZYIRAISWWDW-ZFAUCMQBSA-N -1 0 364.402 -0.008 20 0 FBADRM CC[C@H]1CN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC[C@H]1NC(=O)[O-] ZINC000833848815 605360006 /nfs/dbraw/zinc/36/00/06/605360006.db2.gz OKCMGDFNPGMALO-CMPLNLGQSA-N -1 0 362.452 -0.203 20 0 FBADRM CC[C@H]1CN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC[C@@H]1NC(=O)[O-] ZINC000833848816 605359884 /nfs/dbraw/zinc/35/98/84/605359884.db2.gz OKCMGDFNPGMALO-JQWIXIFHSA-N -1 0 362.452 -0.203 20 0 FBADRM CC[C@@H]1CN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC[C@@H]1NC(=O)[O-] ZINC000833848817 605360358 /nfs/dbraw/zinc/36/03/58/605360358.db2.gz OKCMGDFNPGMALO-PWSUYJOCSA-N -1 0 362.452 -0.203 20 0 FBADRM CC[C@@H]1CN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC[C@H]1NC(=O)[O-] ZINC000833848818 605360269 /nfs/dbraw/zinc/36/02/69/605360269.db2.gz OKCMGDFNPGMALO-ZYHUDNBSSA-N -1 0 362.452 -0.203 20 0 FBADRM CC[C@@H]1CN(C(=O)CCC(=O)NCCNC(C)=O)CC[C@H]1NC(=O)[O-] ZINC000833851137 605354080 /nfs/dbraw/zinc/35/40/80/605354080.db2.gz ZZGFBGMZTKCWBP-CHWSQXEVSA-N -1 0 356.423 -0.086 20 0 FBADRM CC[C@@H]1CN(C(=O)CCC(=O)NCCNC(C)=O)CC[C@@H]1NC(=O)[O-] ZINC000833851138 605353459 /nfs/dbraw/zinc/35/34/59/605353459.db2.gz ZZGFBGMZTKCWBP-OLZOCXBDSA-N -1 0 356.423 -0.086 20 0 FBADRM CC[C@H]1CN(C(=O)CCC(=O)NCCNC(C)=O)CC[C@H]1NC(=O)[O-] ZINC000833851139 605354116 /nfs/dbraw/zinc/35/41/16/605354116.db2.gz ZZGFBGMZTKCWBP-QWHCGFSZSA-N -1 0 356.423 -0.086 20 0 FBADRM CC[C@H]1CN(C(=O)CCC(=O)NCCNC(C)=O)CC[C@@H]1NC(=O)[O-] ZINC000833851140 605353449 /nfs/dbraw/zinc/35/34/49/605353449.db2.gz ZZGFBGMZTKCWBP-STQMWFEESA-N -1 0 356.423 -0.086 20 0 FBADRM CCCNC(=O)CNC(=O)C(=O)Nc1cnc2c(c1)CN(C(=O)[O-])CC2 ZINC000833855721 605922234 /nfs/dbraw/zinc/92/22/34/605922234.db2.gz LWVFRDOYYMJSNE-UHFFFAOYSA-N -1 0 363.374 -0.301 20 0 FBADRM CCCNC(=O)CN1CCC(NC(=O)NCC2CN(C(=O)[O-])C2)CC1 ZINC000833855862 605727995 /nfs/dbraw/zinc/72/79/95/605727995.db2.gz PNASFHLMSWTXTN-UHFFFAOYSA-N -1 0 355.439 -0.114 20 0 FBADRM CCN(C1CCN(CN2C[C@H](NC(=O)[O-])CC2=O)CC1)S(C)(=O)=O ZINC000833856616 605993904 /nfs/dbraw/zinc/99/39/04/605993904.db2.gz OJPKPHSUXWRPTR-LLVKDONJSA-N -1 0 362.452 -0.442 20 0 FBADRM CCN(C1CCN(CN2C[C@@H](NC(=O)[O-])CC2=O)CC1)S(C)(=O)=O ZINC000833856617 605994125 /nfs/dbraw/zinc/99/41/25/605994125.db2.gz OJPKPHSUXWRPTR-NSHDSACASA-N -1 0 362.452 -0.442 20 0 FBADRM CCN(CCCNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000833857912 605966330 /nfs/dbraw/zinc/96/63/30/605966330.db2.gz CDEWHWNOFDNHGI-LLVKDONJSA-N -1 0 350.441 -0.043 20 0 FBADRM CCN(CCCNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000833857914 605966322 /nfs/dbraw/zinc/96/63/22/605966322.db2.gz CDEWHWNOFDNHGI-NSHDSACASA-N -1 0 350.441 -0.043 20 0 FBADRM CCN(CCCNC(=O)NC[C@H]1CCN(C(=O)[O-])C1)S(C)(=O)=O ZINC000833859067 605374907 /nfs/dbraw/zinc/37/49/07/605374907.db2.gz YWOKDAOKHLKYPC-LLVKDONJSA-N -1 0 350.441 -0.043 20 0 FBADRM CCN(CCCNC(=O)NC[C@@H]1CCN(C(=O)[O-])C1)S(C)(=O)=O ZINC000833859068 605374701 /nfs/dbraw/zinc/37/47/01/605374701.db2.gz YWOKDAOKHLKYPC-NSHDSACASA-N -1 0 350.441 -0.043 20 0 FBADRM CCNC(=O)CC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000833859483 605833254 /nfs/dbraw/zinc/83/32/54/605833254.db2.gz CCDIDJUJZJVMLU-GFCCVEGCSA-N -1 0 354.407 -0.427 20 0 FBADRM CCNC(=O)CC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000833859488 605832931 /nfs/dbraw/zinc/83/29/31/605832931.db2.gz CCDIDJUJZJVMLU-LBPRGKRZSA-N -1 0 354.407 -0.427 20 0 FBADRM CCNC(=O)CC(=O)Nc1cccc(S(=O)(=O)NCCNC(=O)[O-])c1 ZINC000833860238 605835748 /nfs/dbraw/zinc/83/57/48/605835748.db2.gz PASBQDJPYQZXGU-UHFFFAOYSA-N -1 0 372.403 -0.303 20 0 FBADRM CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cnc2c(c1)CN(C(=O)[O-])CC2 ZINC000833860407 605922222 /nfs/dbraw/zinc/92/22/22/605922222.db2.gz UXFJUDVBBSBSEC-SECBINFHSA-N -1 0 363.374 -0.303 20 0 FBADRM CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cnc2c(c1)CN(C(=O)[O-])CC2 ZINC000833860408 605922318 /nfs/dbraw/zinc/92/23/18/605922318.db2.gz UXFJUDVBBSBSEC-VIFPVBQESA-N -1 0 363.374 -0.303 20 0 FBADRM CCOC(=O)c1cnn(C)c1NC(=O)COC(=O)C=C1CN(C(=O)[O-])C1 ZINC000833860786 605313306 /nfs/dbraw/zinc/31/33/06/605313306.db2.gz GRYZOOQUGRPZPP-UHFFFAOYSA-N -1 0 366.330 -0.002 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)NC[C@H]1CCN(C(=O)[O-])C1 ZINC000833863233 605366523 /nfs/dbraw/zinc/36/65/23/605366523.db2.gz IIKBXENTWOPHII-LLVKDONJSA-N -1 0 350.441 -0.043 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)NC[C@@H]1CCN(C(=O)[O-])C1 ZINC000833863234 605366539 /nfs/dbraw/zinc/36/65/39/605366539.db2.gz IIKBXENTWOPHII-NSHDSACASA-N -1 0 350.441 -0.043 20 0 FBADRM CCS(=O)(=O)CCN(C)C(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000833863235 605440696 /nfs/dbraw/zinc/44/06/96/605440696.db2.gz IJECJRKFFYMIAW-UHFFFAOYSA-N -1 0 364.468 -0.252 20 0 FBADRM CCS(=O)(=O)N(C)C1CCN(CN2C[C@H](NC(=O)[O-])CC2=O)CC1 ZINC000833863255 605994140 /nfs/dbraw/zinc/99/41/40/605994140.db2.gz JDYNEGFNDJNPRK-LLVKDONJSA-N -1 0 362.452 -0.442 20 0 FBADRM CCS(=O)(=O)N(C)C1CCN(CN2C[C@@H](NC(=O)[O-])CC2=O)CC1 ZINC000833863256 605994061 /nfs/dbraw/zinc/99/40/61/605994061.db2.gz JDYNEGFNDJNPRK-NSHDSACASA-N -1 0 362.452 -0.442 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000833863691 605715909 /nfs/dbraw/zinc/71/59/09/605715909.db2.gz CDFRIXOMUYSKJJ-NEPJUHHUSA-N -1 0 363.436 -0.314 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000833863693 605715620 /nfs/dbraw/zinc/71/56/20/605715620.db2.gz CDFRIXOMUYSKJJ-RYUDHWBXSA-N -1 0 363.436 -0.314 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCN(CCOC)C(=O)[O-])C1 ZINC000833863788 605446701 /nfs/dbraw/zinc/44/67/01/605446701.db2.gz QLEAIPCTSNXXAX-GFCCVEGCSA-N -1 0 365.452 -0.209 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)NCCN(CCOC)C(=O)[O-])C1 ZINC000833863789 605447015 /nfs/dbraw/zinc/44/70/15/605447015.db2.gz QLEAIPCTSNXXAX-LBPRGKRZSA-N -1 0 365.452 -0.209 20 0 FBADRM CCS(=O)(=O)N1CCC(NC(=O)CCOC2CN(C(=O)[O-])C2)CC1 ZINC000833863790 606089008 /nfs/dbraw/zinc/08/90/08/606089008.db2.gz QLKNCITZXMCPAT-UHFFFAOYSA-N -1 0 363.436 -0.314 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)NCCN(CCOC)C(=O)[O-])CC1 ZINC000833863804 605446668 /nfs/dbraw/zinc/44/66/68/605446668.db2.gz RBPGBIHJNVZOFZ-UHFFFAOYSA-N -1 0 365.452 -0.209 20 0 FBADRM CCS(=O)(=O)CCN(C)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000833863810 605440415 /nfs/dbraw/zinc/44/04/15/605440415.db2.gz RIZFYHDOCURLNO-UHFFFAOYSA-N -1 0 350.441 -0.642 20 0 FBADRM CC[C@H](NC(=O)[O-])C(=O)N1CCN(c2ccc(C(=O)OC)nn2)CC1 ZINC000833864643 605964176 /nfs/dbraw/zinc/96/41/76/605964176.db2.gz SEBVYUCMWBWGPR-JTQLQIEISA-N -1 0 351.363 -0.042 20 0 FBADRM CCc1ncc(NC(=O)C(=O)NCCN2CCN(C(=O)[O-])CC2)cn1 ZINC000833865756 605660757 /nfs/dbraw/zinc/66/07/57/605660757.db2.gz DYAHULXLCJZSRJ-UHFFFAOYSA-N -1 0 350.379 -0.611 20 0 FBADRM CCN1C(=O)N=NC1C1CCN(C(=O)CNC(=O)CNC(=O)[O-])CC1 ZINC000833866149 605398359 /nfs/dbraw/zinc/39/83/59/605398359.db2.gz DPPYLHAHDMSDML-UHFFFAOYSA-N -1 0 354.367 -0.907 20 0 FBADRM CCN1C(=O)N=NC1C1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])CC1 ZINC000833866491 605951458 /nfs/dbraw/zinc/95/14/58/605951458.db2.gz IIZZVEWSBXHGJR-SECBINFHSA-N -1 0 354.367 -0.779 20 0 FBADRM CCN1C(=O)N=NC1C1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])CC1 ZINC000833866492 605951578 /nfs/dbraw/zinc/95/15/78/605951578.db2.gz IIZZVEWSBXHGJR-VIFPVBQESA-N -1 0 354.367 -0.779 20 0 FBADRM CCc1nc2n(n1)C[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C)CC2 ZINC000833866520 605497368 /nfs/dbraw/zinc/49/73/68/605497368.db2.gz LDMZRYIUWGJYCU-HZMBPMFUSA-N -1 0 366.422 -0.320 20 0 FBADRM CCc1nc2n(n1)C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C)CC2 ZINC000833866521 605497162 /nfs/dbraw/zinc/49/71/62/605497162.db2.gz LDMZRYIUWGJYCU-YGRLFVJLSA-N -1 0 366.422 -0.320 20 0 FBADRM CCc1nc2n(n1)C[C@H](NC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-])CC2 ZINC000833867325 605969022 /nfs/dbraw/zinc/96/90/22/605969022.db2.gz RZFCBMSEPWEFRI-NEPJUHHUSA-N -1 0 365.438 -0.252 20 0 FBADRM CCc1nc2n(n1)C[C@@H](NC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-])CC2 ZINC000833867326 605969057 /nfs/dbraw/zinc/96/90/57/605969057.db2.gz RZFCBMSEPWEFRI-NWDGAFQWSA-N -1 0 365.438 -0.252 20 0 FBADRM CCc1nc2n(n1)C[C@@H](NC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-])CC2 ZINC000833867327 605969113 /nfs/dbraw/zinc/96/91/13/605969113.db2.gz RZFCBMSEPWEFRI-RYUDHWBXSA-N -1 0 365.438 -0.252 20 0 FBADRM CCc1nc2n(n1)C[C@H](NC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-])CC2 ZINC000833867328 605969339 /nfs/dbraw/zinc/96/93/39/605969339.db2.gz RZFCBMSEPWEFRI-VXGBXAGGSA-N -1 0 365.438 -0.252 20 0 FBADRM CCc1ncc(NC(=O)C(=O)NCCCN2CCN(C(=O)[O-])CC2)cn1 ZINC000833867839 605663005 /nfs/dbraw/zinc/66/30/05/605663005.db2.gz YGHXNGONDNRKTH-UHFFFAOYSA-N -1 0 364.406 -0.221 20 0 FBADRM CCc1ncc(NC(=O)C(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)cn1 ZINC000833867850 605662964 /nfs/dbraw/zinc/66/29/64/605662964.db2.gz YMOJTHOQSZVPQF-GXSJLCMTSA-N -1 0 351.363 -0.139 20 0 FBADRM CCc1ncc(NC(=O)C(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)cn1 ZINC000833867851 605663042 /nfs/dbraw/zinc/66/30/42/605663042.db2.gz YMOJTHOQSZVPQF-KOLCDFICSA-N -1 0 351.363 -0.139 20 0 FBADRM CCc1ncc(NC(=O)C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)cn1 ZINC000833867852 605662998 /nfs/dbraw/zinc/66/29/98/605662998.db2.gz YMOJTHOQSZVPQF-MWLCHTKSSA-N -1 0 351.363 -0.139 20 0 FBADRM CCc1ncc(NC(=O)C(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)cn1 ZINC000833867853 605662558 /nfs/dbraw/zinc/66/25/58/605662558.db2.gz YMOJTHOQSZVPQF-ONGXEEELSA-N -1 0 351.363 -0.139 20 0 FBADRM CCn1c(=O)c2ccccc2n(CC(=O)NCC2CN(C(=O)[O-])C2)c1=O ZINC000833867978 605750537 /nfs/dbraw/zinc/75/05/37/605750537.db2.gz VPCRLXVUNWJXTJ-UHFFFAOYSA-N -1 0 360.370 -0.091 20 0 FBADRM CN(C)c1cnc(C(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)cn1 ZINC000833871073 605698781 /nfs/dbraw/zinc/69/87/81/605698781.db2.gz KFLWCTAVLUXFIT-LLVKDONJSA-N -1 0 364.406 -0.221 20 0 FBADRM CN(C)c1cnc(C(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)cn1 ZINC000833871075 605698447 /nfs/dbraw/zinc/69/84/47/605698447.db2.gz KFLWCTAVLUXFIT-NSHDSACASA-N -1 0 364.406 -0.221 20 0 FBADRM CN(C1CCN(C(=O)CCOC2CN(C(=O)[O-])C2)CC1)S(C)(=O)=O ZINC000833871144 606112849 /nfs/dbraw/zinc/11/28/49/606112849.db2.gz ZYKJNMRGVIHWRR-UHFFFAOYSA-N -1 0 363.436 -0.362 20 0 FBADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC000833871228 605767436 /nfs/dbraw/zinc/76/74/36/605767436.db2.gz VDFJNRRWWWKAPL-UHFFFAOYSA-N -1 0 351.363 -0.129 20 0 FBADRM CN(C)c1nc(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)[O-])cs1 ZINC000833871485 605436561 /nfs/dbraw/zinc/43/65/61/605436561.db2.gz PMSWEGPMQNPPMY-SECBINFHSA-N -1 0 364.449 -0.104 20 0 FBADRM CN(C)c1nc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)[O-])cs1 ZINC000833871486 605436578 /nfs/dbraw/zinc/43/65/78/605436578.db2.gz PMSWEGPMQNPPMY-VIFPVBQESA-N -1 0 364.449 -0.104 20 0 FBADRM CN(C)c1cnc(C(=O)Nc2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)cn1 ZINC000833871674 605734523 /nfs/dbraw/zinc/73/45/23/605734523.db2.gz WYRFROIXVAUQHE-UHFFFAOYSA-N -1 0 361.366 -0.287 20 0 FBADRM C[N@H+](CCCNC(=O)C(F)(F)F)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000833872200 661159853 /nfs/dbraw/zinc/15/98/53/661159853.db2.gz HNXOTFWVELTIND-UHFFFAOYSA-N -1 0 354.329 -0.191 20 0 FBADRM CN(CCN(C)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C(=O)[O-] ZINC000833872281 605521816 /nfs/dbraw/zinc/52/18/16/605521816.db2.gz FQJNHAPMMYBWSE-UHFFFAOYSA-N -1 0 357.388 -0.373 20 0 FBADRM CN(CCN(C)C(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1)C(=O)[O-] ZINC000833872676 605503234 /nfs/dbraw/zinc/50/32/34/605503234.db2.gz NMDGCIGKNJWCHW-UHFFFAOYSA-N -1 0 373.431 -0.019 20 0 FBADRM CN(CCCNC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1)C(=O)[O-] ZINC000833872727 605608797 /nfs/dbraw/zinc/60/87/97/605608797.db2.gz NHHVCBTZEBTBHA-UHFFFAOYSA-N -1 0 362.346 -0.284 20 0 FBADRM CN(CCCC(=O)OCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C(=O)[O-] ZINC000833873497 605639915 /nfs/dbraw/zinc/63/99/15/605639915.db2.gz WIFRYOCNVZLPAZ-UHFFFAOYSA-N -1 0 353.335 -0.607 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)CCO1 ZINC000833874834 605935794 /nfs/dbraw/zinc/93/57/94/605935794.db2.gz AUNWBJYXIBELSZ-GFCCVEGCSA-N -1 0 366.378 -0.820 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)CCO1 ZINC000833874835 605936162 /nfs/dbraw/zinc/93/61/62/605936162.db2.gz AUNWBJYXIBELSZ-LBPRGKRZSA-N -1 0 366.378 -0.820 20 0 FBADRM CNC(=O)CCNC(=O)C(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)[O-])CC2 ZINC000833875047 606106487 /nfs/dbraw/zinc/10/64/87/606106487.db2.gz HOTNDOULNWXSNI-JTQLQIEISA-N -1 0 363.374 -0.603 20 0 FBADRM CNC(=O)CCNC(=O)C(=O)Nc1cnc2c(c1)C[C@H](NC(=O)[O-])CC2 ZINC000833875048 606106498 /nfs/dbraw/zinc/10/64/98/606106498.db2.gz HOTNDOULNWXSNI-SNVBAGLBSA-N -1 0 363.374 -0.603 20 0 FBADRM CNC(=O)CCCNC(=O)C(=O)Nc1cnc2c(c1)CN(C(=O)[O-])CC2 ZINC000833875139 605927931 /nfs/dbraw/zinc/92/79/31/605927931.db2.gz KDJNIFSWFZXIHT-UHFFFAOYSA-N -1 0 363.374 -0.301 20 0 FBADRM CNC(=O)CCCN(C)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000833875344 605989527 /nfs/dbraw/zinc/98/95/27/605989527.db2.gz ORLKXQYVPJSELH-UHFFFAOYSA-N -1 0 355.395 -0.534 20 0 FBADRM CNC(=O)CC1CCN(C(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000833875531 605497453 /nfs/dbraw/zinc/49/74/53/605497453.db2.gz VBLYQXNLBQNRKL-AWEZNQCLSA-N -1 0 356.423 -0.231 20 0 FBADRM CNC(=O)[C@@H]1CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])CCO1 ZINC000833875537 605936171 /nfs/dbraw/zinc/93/61/71/605936171.db2.gz VILSHEDAKRIDBB-KKUMJFAQSA-N -1 0 351.403 -0.327 20 0 FBADRM CNC(=O)[C@H]1CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])CCO1 ZINC000833875538 605935992 /nfs/dbraw/zinc/93/59/92/605935992.db2.gz VILSHEDAKRIDBB-SOUVJXGZSA-N -1 0 351.403 -0.327 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1CC12CCN(C(=O)[O-])CC2 ZINC000833875723 605917506 /nfs/dbraw/zinc/91/75/06/605917506.db2.gz AHQVCMGCLRDWGM-NEPJUHHUSA-N -1 0 366.418 -0.380 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H]1CC12CCN(C(=O)[O-])CC2 ZINC000833875724 605917527 /nfs/dbraw/zinc/91/75/27/605917527.db2.gz AHQVCMGCLRDWGM-NWDGAFQWSA-N -1 0 366.418 -0.380 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CC12CCN(C(=O)[O-])CC2 ZINC000833875725 605917473 /nfs/dbraw/zinc/91/74/73/605917473.db2.gz AHQVCMGCLRDWGM-RYUDHWBXSA-N -1 0 366.418 -0.380 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H]1CC12CCN(C(=O)[O-])CC2 ZINC000833875726 605917583 /nfs/dbraw/zinc/91/75/83/605917583.db2.gz AHQVCMGCLRDWGM-VXGBXAGGSA-N -1 0 366.418 -0.380 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)CCO1 ZINC000833875908 605924791 /nfs/dbraw/zinc/92/47/91/605924791.db2.gz BMYFVIMHEKPKBR-SECBINFHSA-N -1 0 351.319 -0.917 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)CCO1 ZINC000833875909 605924715 /nfs/dbraw/zinc/92/47/15/605924715.db2.gz BMYFVIMHEKPKBR-VIFPVBQESA-N -1 0 351.319 -0.917 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](CC(F)F)NC(=O)[O-] ZINC000833876118 606035802 /nfs/dbraw/zinc/03/58/02/606035802.db2.gz FJVKQWNWZLYCDD-HTQZYQBOSA-N -1 0 350.322 -0.869 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](CC(F)F)NC(=O)[O-] ZINC000833876119 606035768 /nfs/dbraw/zinc/03/57/68/606035768.db2.gz FJVKQWNWZLYCDD-JGVFFNPUSA-N -1 0 350.322 -0.869 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](CC(F)F)NC(=O)[O-] ZINC000833876120 606035912 /nfs/dbraw/zinc/03/59/12/606035912.db2.gz FJVKQWNWZLYCDD-SFYZADRCSA-N -1 0 350.322 -0.869 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(F)F)NC(=O)[O-] ZINC000833876121 606036007 /nfs/dbraw/zinc/03/60/07/606036007.db2.gz FJVKQWNWZLYCDD-YUMQZZPRSA-N -1 0 350.322 -0.869 20 0 FBADRM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000833876500 606020256 /nfs/dbraw/zinc/02/02/56/606020256.db2.gz HMOWTOQTNUJELL-GHMZBOCLSA-N -1 0 355.395 -0.978 20 0 FBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000833876501 606020346 /nfs/dbraw/zinc/02/03/46/606020346.db2.gz HMOWTOQTNUJELL-MNOVXSKESA-N -1 0 355.395 -0.978 20 0 FBADRM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000833876502 606020333 /nfs/dbraw/zinc/02/03/33/606020333.db2.gz HMOWTOQTNUJELL-QWRGUYRKSA-N -1 0 355.395 -0.978 20 0 FBADRM CNC(=O)[C@H]1CCC[C@H]1NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000833876503 606020130 /nfs/dbraw/zinc/02/01/30/606020130.db2.gz HMOWTOQTNUJELL-WDEREUQCSA-N -1 0 355.395 -0.978 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@]1(C)CCCCN1C(=O)[O-] ZINC000833877038 605868437 /nfs/dbraw/zinc/86/84/37/605868437.db2.gz KIXZSWRZKIZKBP-BDJLRTHQSA-N -1 0 354.407 -0.238 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@]1(C)CCCCN1C(=O)[O-] ZINC000833877040 605868331 /nfs/dbraw/zinc/86/83/31/605868331.db2.gz KIXZSWRZKIZKBP-BZNIZROVSA-N -1 0 354.407 -0.238 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@]1(C)CCCCN1C(=O)[O-] ZINC000833877042 605868450 /nfs/dbraw/zinc/86/84/50/605868450.db2.gz KIXZSWRZKIZKBP-MEDUHNTESA-N -1 0 354.407 -0.238 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@]1(C)CCCCN1C(=O)[O-] ZINC000833877044 605867915 /nfs/dbraw/zinc/86/79/15/605867915.db2.gz KIXZSWRZKIZKBP-ZBEGNZNMSA-N -1 0 354.407 -0.238 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)NCCN(CCOC)C(=O)[O-])cc1 ZINC000833877233 605418888 /nfs/dbraw/zinc/41/88/88/605418888.db2.gz NCWXROSWAUILAU-UHFFFAOYSA-N -1 0 359.404 -0.049 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(NC(=O)[O-])ccc2C)CCO1 ZINC000833877522 605924782 /nfs/dbraw/zinc/92/47/82/605924782.db2.gz NNIJCUZDPVUDES-GFCCVEGCSA-N -1 0 364.358 -0.003 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc(NC(=O)[O-])ccc2C)CCO1 ZINC000833877525 605924678 /nfs/dbraw/zinc/92/46/78/605924678.db2.gz NNIJCUZDPVUDES-LBPRGKRZSA-N -1 0 364.358 -0.003 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)CCO1 ZINC000833877821 605924717 /nfs/dbraw/zinc/92/47/17/605924717.db2.gz PVTZYTNPKIMGEW-LLVKDONJSA-N -1 0 350.331 -0.312 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)CCO1 ZINC000833877822 605924766 /nfs/dbraw/zinc/92/47/66/605924766.db2.gz PVTZYTNPKIMGEW-NSHDSACASA-N -1 0 350.331 -0.312 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CC[C@@H]1CCN(C(=O)[O-])C1 ZINC000833878036 605454136 /nfs/dbraw/zinc/45/41/36/605454136.db2.gz QKICOKSCVHKNCI-NEPJUHHUSA-N -1 0 354.407 -0.380 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CC[C@H]1CCN(C(=O)[O-])C1 ZINC000833878037 605454229 /nfs/dbraw/zinc/45/42/29/605454229.db2.gz QKICOKSCVHKNCI-NWDGAFQWSA-N -1 0 354.407 -0.380 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CC[C@H]1CCN(C(=O)[O-])C1 ZINC000833878038 605454738 /nfs/dbraw/zinc/45/47/38/605454738.db2.gz QKICOKSCVHKNCI-RYUDHWBXSA-N -1 0 354.407 -0.380 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CC[C@@H]1CCN(C(=O)[O-])C1 ZINC000833878039 605454546 /nfs/dbraw/zinc/45/45/46/605454546.db2.gz QKICOKSCVHKNCI-VXGBXAGGSA-N -1 0 354.407 -0.380 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(NC(=O)[O-])ccc2F)CCO1 ZINC000833878056 605924776 /nfs/dbraw/zinc/92/47/76/605924776.db2.gz QPUOMUGKJZXEMR-LLVKDONJSA-N -1 0 368.321 -0.173 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc(NC(=O)[O-])ccc2F)CCO1 ZINC000833878057 605924771 /nfs/dbraw/zinc/92/47/71/605924771.db2.gz QPUOMUGKJZXEMR-NSHDSACASA-N -1 0 368.321 -0.173 20 0 FBADRM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000833878451 606024365 /nfs/dbraw/zinc/02/43/65/606024365.db2.gz SIEIJQMCNKSLHX-CHWSQXEVSA-N -1 0 355.439 -0.114 20 0 FBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000833878452 606024352 /nfs/dbraw/zinc/02/43/52/606024352.db2.gz SIEIJQMCNKSLHX-OLZOCXBDSA-N -1 0 355.439 -0.114 20 0 FBADRM CNC(=O)[C@H]1CCC[C@H]1NC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000833878453 606024675 /nfs/dbraw/zinc/02/46/75/606024675.db2.gz SIEIJQMCNKSLHX-QWHCGFSZSA-N -1 0 355.439 -0.114 20 0 FBADRM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000833878454 606024633 /nfs/dbraw/zinc/02/46/33/606024633.db2.gz SIEIJQMCNKSLHX-STQMWFEESA-N -1 0 355.439 -0.114 20 0 FBADRM COC(=O)CCN1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)[C@H](C)C1 ZINC000833878568 605956953 /nfs/dbraw/zinc/95/69/53/605956953.db2.gz HOXYXEUEMPDXAQ-CHWSQXEVSA-N -1 0 357.407 -0.149 20 0 FBADRM COC(=O)CCN1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)[C@H](C)C1 ZINC000833878569 605957155 /nfs/dbraw/zinc/95/71/55/605957155.db2.gz HOXYXEUEMPDXAQ-OLZOCXBDSA-N -1 0 357.407 -0.149 20 0 FBADRM COC(=O)CCN1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)[C@@H](C)C1 ZINC000833878570 605956767 /nfs/dbraw/zinc/95/67/67/605956767.db2.gz HOXYXEUEMPDXAQ-QWHCGFSZSA-N -1 0 357.407 -0.149 20 0 FBADRM COC(=O)CCN1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)[C@@H](C)C1 ZINC000833878571 605956850 /nfs/dbraw/zinc/95/68/50/605956850.db2.gz HOXYXEUEMPDXAQ-STQMWFEESA-N -1 0 357.407 -0.149 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@]1(C)CCCN(C(=O)[O-])C1 ZINC000833878867 605863002 /nfs/dbraw/zinc/86/30/02/605863002.db2.gz VONMJTFXXZRGLJ-BDJLRTHQSA-N -1 0 354.407 -0.380 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@]1(C)CCCN(C(=O)[O-])C1 ZINC000833878868 605862983 /nfs/dbraw/zinc/86/29/83/605862983.db2.gz VONMJTFXXZRGLJ-BZNIZROVSA-N -1 0 354.407 -0.380 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@]1(C)CCCN(C(=O)[O-])C1 ZINC000833878869 605862811 /nfs/dbraw/zinc/86/28/11/605862811.db2.gz VONMJTFXXZRGLJ-MEDUHNTESA-N -1 0 354.407 -0.380 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@]1(C)CCCN(C(=O)[O-])C1 ZINC000833878870 605863053 /nfs/dbraw/zinc/86/30/53/605863053.db2.gz VONMJTFXXZRGLJ-ZBEGNZNMSA-N -1 0 354.407 -0.380 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(CNC(=O)[O-])c2)CCO1 ZINC000833878882 605924811 /nfs/dbraw/zinc/92/48/11/605924811.db2.gz VULAFBLPTYGUQG-GFCCVEGCSA-N -1 0 364.358 -0.634 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(CNC(=O)[O-])c2)CCO1 ZINC000833878883 605924846 /nfs/dbraw/zinc/92/48/46/605924846.db2.gz VULAFBLPTYGUQG-LBPRGKRZSA-N -1 0 364.358 -0.634 20 0 FBADRM COC(=O)CCNC(=O)C(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)[O-])CC2 ZINC000833878983 606107368 /nfs/dbraw/zinc/10/73/68/606107368.db2.gz LCKQLQFOPXOHNY-JTQLQIEISA-N -1 0 364.358 -0.176 20 0 FBADRM COC(=O)CCNC(=O)C(=O)Nc1cnc2c(c1)C[C@H](NC(=O)[O-])CC2 ZINC000833878984 606107402 /nfs/dbraw/zinc/10/74/02/606107402.db2.gz LCKQLQFOPXOHNY-SNVBAGLBSA-N -1 0 364.358 -0.176 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cnc(NC(=O)[O-])cn1 ZINC000833878986 606055440 /nfs/dbraw/zinc/05/54/40/606055440.db2.gz VWKWSHTUVMASLS-SECBINFHSA-N -1 0 350.335 -0.967 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnc(NC(=O)[O-])cn1 ZINC000833878987 606055141 /nfs/dbraw/zinc/05/51/41/606055141.db2.gz VWKWSHTUVMASLS-VIFPVBQESA-N -1 0 350.335 -0.967 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)C(=O)NC2CN(C(=O)[O-])C2)c2ccccc2O1 ZINC000833879120 605942134 /nfs/dbraw/zinc/94/21/34/605942134.db2.gz WYRNUIAYUGSYHZ-GFCCVEGCSA-N -1 0 362.342 -0.995 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)NC2CN(C(=O)[O-])C2)c2ccccc2O1 ZINC000833879122 605941963 /nfs/dbraw/zinc/94/19/63/605941963.db2.gz WYRNUIAYUGSYHZ-LBPRGKRZSA-N -1 0 362.342 -0.995 20 0 FBADRM COC(=O)CCN1CCN(C(=O)CCOC2CN(C(=O)[O-])C2)[C@H](C)C1 ZINC000833879210 606100903 /nfs/dbraw/zinc/10/09/03/606100903.db2.gz LTIARLCGTKOYLG-GFCCVEGCSA-N -1 0 357.407 -0.149 20 0 FBADRM COC(=O)CCN1CCN(C(=O)CCOC2CN(C(=O)[O-])C2)[C@@H](C)C1 ZINC000833879211 606100644 /nfs/dbraw/zinc/10/06/44/606100644.db2.gz LTIARLCGTKOYLG-LBPRGKRZSA-N -1 0 357.407 -0.149 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)NC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])CCO1 ZINC000833879312 605916604 /nfs/dbraw/zinc/91/66/04/605916604.db2.gz XMNJZFXSWQQCQT-AXFHLTTASA-N -1 0 358.395 -0.354 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)NC[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])CCO1 ZINC000833879313 605916621 /nfs/dbraw/zinc/91/66/21/605916621.db2.gz XMNJZFXSWQQCQT-DCAQKATOSA-N -1 0 358.395 -0.354 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)NC[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])CCO1 ZINC000833879314 605916313 /nfs/dbraw/zinc/91/63/13/605916313.db2.gz XMNJZFXSWQQCQT-MXWKQRLJSA-N -1 0 358.395 -0.354 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)NC[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])CCO1 ZINC000833879315 605916531 /nfs/dbraw/zinc/91/65/31/605916531.db2.gz XMNJZFXSWQQCQT-VWYCJHECSA-N -1 0 358.395 -0.354 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)[C@H](NC(=O)[O-])c2ccccc2OC)CCO1 ZINC000833879332 605936148 /nfs/dbraw/zinc/93/61/48/605936148.db2.gz XOXVIJYAZGRCNR-CHWSQXEVSA-N -1 0 351.359 -0.023 20 0 FBADRM CNC(=O)[C@H]1CN(C(=O)[C@@H](NC(=O)[O-])c2ccccc2OC)CCO1 ZINC000833879333 605936160 /nfs/dbraw/zinc/93/61/60/605936160.db2.gz XOXVIJYAZGRCNR-OLZOCXBDSA-N -1 0 351.359 -0.023 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)[C@H](NC(=O)[O-])c2ccccc2OC)CCO1 ZINC000833879334 605935770 /nfs/dbraw/zinc/93/57/70/605935770.db2.gz XOXVIJYAZGRCNR-QWHCGFSZSA-N -1 0 351.359 -0.023 20 0 FBADRM CNC(=O)[C@@H]1CN(C(=O)[C@@H](NC(=O)[O-])c2ccccc2OC)CCO1 ZINC000833879335 605936053 /nfs/dbraw/zinc/93/60/53/605936053.db2.gz XOXVIJYAZGRCNR-STQMWFEESA-N -1 0 351.359 -0.023 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CC[C@@H]1CCCN1C(=O)[O-] ZINC000833879374 605454446 /nfs/dbraw/zinc/45/44/46/605454446.db2.gz YBBYKFANLOGPKP-NWDGAFQWSA-N -1 0 354.407 -0.238 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CC[C@@H]1CCCN1C(=O)[O-] ZINC000833879376 605454683 /nfs/dbraw/zinc/45/46/83/605454683.db2.gz YBBYKFANLOGPKP-RYUDHWBXSA-N -1 0 354.407 -0.238 20 0 FBADRM COC(=O)CCNC(=O)C(=O)Nc1cnc2c(c1)CN(C(=O)[O-])CC2 ZINC000833879857 605933568 /nfs/dbraw/zinc/93/35/68/605933568.db2.gz RANUSBVRFWWSCM-UHFFFAOYSA-N -1 0 350.331 -0.265 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)NCCN2CCN(C(=O)[O-])CC2)cn1 ZINC000833880249 605626670 /nfs/dbraw/zinc/62/66/70/605626670.db2.gz FITPZZOZFMKXPN-UHFFFAOYSA-N -1 0 372.403 -0.558 20 0 FBADRM COCC1(O)CCN(C(=O)NCCCN2CCN(C(=O)[O-])CC2)CC1 ZINC000833881799 605496781 /nfs/dbraw/zinc/49/67/81/605496781.db2.gz INYIOCQQCZTNEG-UHFFFAOYSA-N -1 0 358.439 -0.145 20 0 FBADRM COCC1(O)CCN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)CC1 ZINC000833882686 605408347 /nfs/dbraw/zinc/40/83/47/605408347.db2.gz VOXONDCUVIOYID-UHFFFAOYSA-N -1 0 370.406 -0.518 20 0 FBADRM COCCN(C(=O)N[C@@H](CNC(=O)[O-])C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000833882784 605932312 /nfs/dbraw/zinc/93/23/12/605932312.db2.gz AXGCQPSGLAYQIQ-NEPJUHHUSA-N -1 0 363.436 -0.122 20 0 FBADRM COCCN(C(=O)N[C@H](CNC(=O)[O-])C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000833882785 605932137 /nfs/dbraw/zinc/93/21/37/605932137.db2.gz AXGCQPSGLAYQIQ-NWDGAFQWSA-N -1 0 363.436 -0.122 20 0 FBADRM COCCN(C(=O)N[C@@H](CNC(=O)[O-])C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000833882786 605932412 /nfs/dbraw/zinc/93/24/12/605932412.db2.gz AXGCQPSGLAYQIQ-RYUDHWBXSA-N -1 0 363.436 -0.122 20 0 FBADRM COCCN(C(=O)N[C@H](CNC(=O)[O-])C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000833882787 605932458 /nfs/dbraw/zinc/93/24/58/605932458.db2.gz AXGCQPSGLAYQIQ-VXGBXAGGSA-N -1 0 363.436 -0.122 20 0 FBADRM COCCCS(=O)(=O)NCc1nc([C@H]2COCCN2C(=O)[O-])no1 ZINC000833882802 605704546 /nfs/dbraw/zinc/70/45/46/605704546.db2.gz BJEAMKBPUVIOCY-SECBINFHSA-N -1 0 364.380 -0.423 20 0 FBADRM COCCCS(=O)(=O)NCc1nc([C@@H]2COCCN2C(=O)[O-])no1 ZINC000833882803 605704284 /nfs/dbraw/zinc/70/42/84/605704284.db2.gz BJEAMKBPUVIOCY-VIFPVBQESA-N -1 0 364.380 -0.423 20 0 FBADRM COCC(=O)Nc1ccc(NC(=O)C(=O)NCC2CN(C(=O)[O-])C2)cc1 ZINC000833882893 605777601 /nfs/dbraw/zinc/77/76/01/605777601.db2.gz QMSUDIHIJWTHNL-UHFFFAOYSA-N -1 0 364.358 -0.064 20 0 FBADRM COCC(=O)Nc1ccc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)cc1 ZINC000833882985 605940743 /nfs/dbraw/zinc/94/07/43/605940743.db2.gz SDUHMSPLLXMVPI-UHFFFAOYSA-N -1 0 350.331 -0.312 20 0 FBADRM COCCN(C(=O)NCCCN(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000833883028 605928864 /nfs/dbraw/zinc/92/88/64/605928864.db2.gz CQVYSPADVYLTBB-LLVKDONJSA-N -1 0 351.425 -0.169 20 0 FBADRM COCCN(C(=O)NCCCN(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000833883029 605928817 /nfs/dbraw/zinc/92/88/17/605928817.db2.gz CQVYSPADVYLTBB-NSHDSACASA-N -1 0 351.425 -0.169 20 0 FBADRM COCCN(C(=O)NC[C@@H](C)CNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000833883054 605933743 /nfs/dbraw/zinc/93/37/43/605933743.db2.gz DOHOJAARGQWRFT-GHMZBOCLSA-N -1 0 351.425 -0.265 20 0 FBADRM COCCN(C(=O)NC[C@@H](C)CNC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000833883055 605933863 /nfs/dbraw/zinc/93/38/63/605933863.db2.gz DOHOJAARGQWRFT-MNOVXSKESA-N -1 0 351.425 -0.265 20 0 FBADRM COCCN(C(=O)NC[C@H](C)CNC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000833883056 605933828 /nfs/dbraw/zinc/93/38/28/605933828.db2.gz DOHOJAARGQWRFT-QWRGUYRKSA-N -1 0 351.425 -0.265 20 0 FBADRM COCCN(C(=O)NC[C@H](C)CNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000833883057 605933511 /nfs/dbraw/zinc/93/35/11/605933511.db2.gz DOHOJAARGQWRFT-WDEREUQCSA-N -1 0 351.425 -0.265 20 0 FBADRM COCCCn1ccc(NC(=O)C(=O)NC[C@H]2CCN(C(=O)[O-])C2)n1 ZINC000833883107 605635811 /nfs/dbraw/zinc/63/58/11/605635811.db2.gz FONZYQWXTXGCND-LLVKDONJSA-N -1 0 353.379 -0.026 20 0 FBADRM COCCCn1ccc(NC(=O)C(=O)NC[C@@H]2CCN(C(=O)[O-])C2)n1 ZINC000833883113 605636022 /nfs/dbraw/zinc/63/60/22/605636022.db2.gz FONZYQWXTXGCND-NSHDSACASA-N -1 0 353.379 -0.026 20 0 FBADRM COCCN(C(=O)N[C@@H]1CCCN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000833883316 605932081 /nfs/dbraw/zinc/93/20/81/605932081.db2.gz IFECEOIAGRKRNO-NEPJUHHUSA-N -1 0 363.436 -0.026 20 0 FBADRM COCCN(C(=O)N[C@H]1CCCN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000833883318 605933783 /nfs/dbraw/zinc/93/37/83/605933783.db2.gz IFECEOIAGRKRNO-NWDGAFQWSA-N -1 0 363.436 -0.026 20 0 FBADRM COCCN(C(=O)N[C@H]1CCCN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000833883320 605933502 /nfs/dbraw/zinc/93/35/02/605933502.db2.gz IFECEOIAGRKRNO-RYUDHWBXSA-N -1 0 363.436 -0.026 20 0 FBADRM COCCN(C(=O)N[C@@H]1CCCN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000833883322 605932401 /nfs/dbraw/zinc/93/24/01/605932401.db2.gz IFECEOIAGRKRNO-VXGBXAGGSA-N -1 0 363.436 -0.026 20 0 FBADRM COCCN(C(=O)NC[C@H]1CCCN1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000833883346 605932338 /nfs/dbraw/zinc/93/23/38/605932338.db2.gz IKRXJYXPWIUYLW-NEPJUHHUSA-N -1 0 363.436 -0.026 20 0 FBADRM COCCN(C(=O)NC[C@@H]1CCCN1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000833883348 605932398 /nfs/dbraw/zinc/93/23/98/605932398.db2.gz IKRXJYXPWIUYLW-NWDGAFQWSA-N -1 0 363.436 -0.026 20 0 FBADRM COCCN(C(=O)NC[C@@H]1CCCN1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000833883350 605932074 /nfs/dbraw/zinc/93/20/74/605932074.db2.gz IKRXJYXPWIUYLW-RYUDHWBXSA-N -1 0 363.436 -0.026 20 0 FBADRM COCCN(C(=O)NC[C@H]1CCCN1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000833883353 605932204 /nfs/dbraw/zinc/93/22/04/605932204.db2.gz IKRXJYXPWIUYLW-VXGBXAGGSA-N -1 0 363.436 -0.026 20 0 FBADRM COCCN(C(=O)CCOC1CN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000833883357 606077107 /nfs/dbraw/zinc/07/71/07/606077107.db2.gz IVRLHAGECLBBCX-LLVKDONJSA-N -1 0 364.420 -0.583 20 0 FBADRM COCCN(C(=O)CCOC1CN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000833883358 606077192 /nfs/dbraw/zinc/07/71/92/606077192.db2.gz IVRLHAGECLBBCX-NSHDSACASA-N -1 0 364.420 -0.583 20 0 FBADRM COCC(C)(C)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000833883450 606065458 /nfs/dbraw/zinc/06/54/58/606065458.db2.gz ZGMDITPGTMCIME-UHFFFAOYSA-N -1 0 363.436 -0.505 20 0 FBADRM COCCN(C(=O)NCC(C)(C)NC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000833883525 605933662 /nfs/dbraw/zinc/93/36/62/605933662.db2.gz LLTGSJUPGGNMJW-JTQLQIEISA-N -1 0 351.425 -0.122 20 0 FBADRM COCCN(C(=O)NCC(C)(C)NC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000833883526 605933514 /nfs/dbraw/zinc/93/35/14/605933514.db2.gz LLTGSJUPGGNMJW-SNVBAGLBSA-N -1 0 351.425 -0.122 20 0 FBADRM COCCN(C(=O)N[C@H](C)CCNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000833883558 605682612 /nfs/dbraw/zinc/68/26/12/605682612.db2.gz LZIYBZMZABYGFM-GHMZBOCLSA-N -1 0 351.425 -0.122 20 0 FBADRM COCCN(C(=O)N[C@H](C)CCNC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000833883559 605682545 /nfs/dbraw/zinc/68/25/45/605682545.db2.gz LZIYBZMZABYGFM-MNOVXSKESA-N -1 0 351.425 -0.122 20 0 FBADRM COCCN(C(=O)N[C@@H](C)CCNC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000833883560 605682672 /nfs/dbraw/zinc/68/26/72/605682672.db2.gz LZIYBZMZABYGFM-QWRGUYRKSA-N -1 0 351.425 -0.122 20 0 FBADRM COCCN(C(=O)N[C@@H](C)CCNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000833883561 605682644 /nfs/dbraw/zinc/68/26/44/605682644.db2.gz LZIYBZMZABYGFM-WDEREUQCSA-N -1 0 351.425 -0.122 20 0 FBADRM COCCN(C(=O)c1cnc(NC(=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000833883584 606014971 /nfs/dbraw/zinc/01/49/71/606014971.db2.gz MRJOYBBKHSFHFT-SECBINFHSA-N -1 0 358.376 -0.158 20 0 FBADRM COCCN(C(=O)c1cnc(NC(=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC000833883585 606015137 /nfs/dbraw/zinc/01/51/37/606015137.db2.gz MRJOYBBKHSFHFT-VIFPVBQESA-N -1 0 358.376 -0.158 20 0 FBADRM COCCN(C(=O)NC[C@H](NC(=O)[O-])C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000833883688 605933582 /nfs/dbraw/zinc/93/35/82/605933582.db2.gz PRTNKIWHDLYITI-NEPJUHHUSA-N -1 0 363.436 -0.122 20 0 FBADRM COCCN(C(=O)NC[C@@H](NC(=O)[O-])C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000833883689 605933739 /nfs/dbraw/zinc/93/37/39/605933739.db2.gz PRTNKIWHDLYITI-NWDGAFQWSA-N -1 0 363.436 -0.122 20 0 FBADRM COCCN(C(=O)NC[C@H](NC(=O)[O-])C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000833883690 605933494 /nfs/dbraw/zinc/93/34/94/605933494.db2.gz PRTNKIWHDLYITI-RYUDHWBXSA-N -1 0 363.436 -0.122 20 0 FBADRM COCCN(C(=O)NC[C@@H](NC(=O)[O-])C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000833883691 605933813 /nfs/dbraw/zinc/93/38/13/605933813.db2.gz PRTNKIWHDLYITI-VXGBXAGGSA-N -1 0 363.436 -0.122 20 0 FBADRM COCCN(C(=O)NC1CCN(C(=O)[O-])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000833883740 605928732 /nfs/dbraw/zinc/92/87/32/605928732.db2.gz RAODYPZPAYKMSW-GFCCVEGCSA-N -1 0 363.436 -0.026 20 0 FBADRM COCCN(C(=O)NC1CCN(C(=O)[O-])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000833883741 605928821 /nfs/dbraw/zinc/92/88/21/605928821.db2.gz RAODYPZPAYKMSW-LBPRGKRZSA-N -1 0 363.436 -0.026 20 0 FBADRM COCCN(C(=O)NCCN(C(=O)[O-])C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000833883823 605930129 /nfs/dbraw/zinc/93/01/29/605930129.db2.gz UMGGEELMEKBXJI-GFCCVEGCSA-N -1 0 363.436 -0.026 20 0 FBADRM COCCN(C(=O)NCCN(C(=O)[O-])C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000833883824 605930004 /nfs/dbraw/zinc/93/00/04/605930004.db2.gz UMGGEELMEKBXJI-LBPRGKRZSA-N -1 0 363.436 -0.026 20 0 FBADRM COCCN(C(=O)[C@H](CC(F)F)NC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000833884008 606038147 /nfs/dbraw/zinc/03/81/47/606038147.db2.gz ZJPHSNYXVCQTJP-BDAKNGLRSA-N -1 0 358.363 -0.060 20 0 FBADRM COCCN(C(=O)[C@@H](CC(F)F)NC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000833884009 606038008 /nfs/dbraw/zinc/03/80/08/606038008.db2.gz ZJPHSNYXVCQTJP-DTWKUNHWSA-N -1 0 358.363 -0.060 20 0 FBADRM COCCN(C(=O)[C@H](CC(F)F)NC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000833884010 606038208 /nfs/dbraw/zinc/03/82/08/606038208.db2.gz ZJPHSNYXVCQTJP-IUCAKERBSA-N -1 0 358.363 -0.060 20 0 FBADRM COCCN(C(=O)[C@@H](CC(F)F)NC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000833884011 606037952 /nfs/dbraw/zinc/03/79/52/606037952.db2.gz ZJPHSNYXVCQTJP-RKDXNWHRSA-N -1 0 358.363 -0.060 20 0 FBADRM COCCN(CC(=O)N1CCN(CCn2ccccc2=O)CC1)C(=O)[O-] ZINC000833884092 605368284 /nfs/dbraw/zinc/36/82/84/605368284.db2.gz BLXFTNJSUZGNIN-UHFFFAOYSA-N -1 0 366.418 -0.381 20 0 FBADRM COCCN(CC(=O)N1CC(S(=O)(=O)NC2CCCC2)C1)C(=O)[O-] ZINC000833884107 605883921 /nfs/dbraw/zinc/88/39/21/605883921.db2.gz BZBTZJRBBVSEIG-UHFFFAOYSA-N -1 0 363.436 -0.314 20 0 FBADRM COCCN(CC(=O)N1CC[C@@]2(C1)NC(=O)N(C(C)C)C2=O)C(=O)[O-] ZINC000833884307 605742646 /nfs/dbraw/zinc/74/26/46/605742646.db2.gz IPIIWEFERYXEGG-HNNXBMFYSA-N -1 0 356.379 -0.456 20 0 FBADRM COCCN(CC(=O)N1CC[C@]2(C1)NC(=O)N(C(C)C)C2=O)C(=O)[O-] ZINC000833884308 605742449 /nfs/dbraw/zinc/74/24/49/605742449.db2.gz IPIIWEFERYXEGG-OAHLLOKOSA-N -1 0 356.379 -0.456 20 0 FBADRM COCCN(CC(=O)N1CCOC[C@H]1c1noc(COC)n1)C(=O)[O-] ZINC000833884406 605736059 /nfs/dbraw/zinc/73/60/59/605736059.db2.gz KTXZAQVWPWOLHD-JTQLQIEISA-N -1 0 358.351 -0.258 20 0 FBADRM COCCN(CC(=O)N1CCOC[C@@H]1c1noc(COC)n1)C(=O)[O-] ZINC000833884407 605735953 /nfs/dbraw/zinc/73/59/53/605735953.db2.gz KTXZAQVWPWOLHD-SNVBAGLBSA-N -1 0 358.351 -0.258 20 0 FBADRM COCCN(CC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000833884418 606002164 /nfs/dbraw/zinc/00/21/64/606002164.db2.gz LJCQLWQDHPXGRN-BXUZGUMPSA-N -1 0 364.420 -0.535 20 0 FBADRM COCCN(CC(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000833884419 606002043 /nfs/dbraw/zinc/00/20/43/606002043.db2.gz LJCQLWQDHPXGRN-FZMZJTMJSA-N -1 0 364.420 -0.535 20 0 FBADRM COCCN(CC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000833884420 606002266 /nfs/dbraw/zinc/00/22/66/606002266.db2.gz LJCQLWQDHPXGRN-RISCZKNCSA-N -1 0 364.420 -0.535 20 0 FBADRM COCCN(CC(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)C(=O)[O-] ZINC000833884421 606002337 /nfs/dbraw/zinc/00/23/37/606002337.db2.gz LJCQLWQDHPXGRN-SMDDNHRTSA-N -1 0 364.420 -0.535 20 0 FBADRM COCCN(CC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)C(=O)[O-] ZINC000833884632 606052565 /nfs/dbraw/zinc/05/25/65/606052565.db2.gz QNTUQEBQWKDUSR-GFCCVEGCSA-N -1 0 367.406 -0.346 20 0 FBADRM COCCN(CC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)C(=O)[O-] ZINC000833884633 606052179 /nfs/dbraw/zinc/05/21/79/606052179.db2.gz QNTUQEBQWKDUSR-LBPRGKRZSA-N -1 0 367.406 -0.346 20 0 FBADRM COCCN(CCNC(=O)NCC1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000833885169 605415639 /nfs/dbraw/zinc/41/56/39/605415639.db2.gz BLLJOKISXUYZGZ-UHFFFAOYSA-N -1 0 351.425 -0.263 20 0 FBADRM COCCN(CCNC(=O)NC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000833885221 605403120 /nfs/dbraw/zinc/40/31/20/605403120.db2.gz CEXWYRAQUJRPFP-UHFFFAOYSA-N -1 0 366.440 -0.664 20 0 FBADRM COCCN(CCNC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)C(=O)[O-] ZINC000833885605 605417467 /nfs/dbraw/zinc/41/74/67/605417467.db2.gz HNHKQVDLIJZHSF-CYBMUJFWSA-N -1 0 372.422 -0.308 20 0 FBADRM COCCN(CCNC(=O)N[C@H]1CCN(C2CCOCC2)C1=O)C(=O)[O-] ZINC000833885606 605417406 /nfs/dbraw/zinc/41/74/06/605417406.db2.gz HNHKQVDLIJZHSF-ZDUSSCGKSA-N -1 0 372.422 -0.308 20 0 FBADRM COCCN(CCNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000833885614 605415619 /nfs/dbraw/zinc/41/56/19/605415619.db2.gz HUHUFKCIKGTXDO-LLVKDONJSA-N -1 0 366.440 -0.807 20 0 FBADRM COCCN(CCNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000833885615 605415883 /nfs/dbraw/zinc/41/58/83/605415883.db2.gz HUHUFKCIKGTXDO-NSHDSACASA-N -1 0 366.440 -0.807 20 0 FBADRM COCCN(CCNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000833885821 605417323 /nfs/dbraw/zinc/41/73/23/605417323.db2.gz LGQIHCHPHLAJIN-GFCCVEGCSA-N -1 0 368.394 -0.549 20 0 FBADRM COCCN(CCNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000833885832 605417334 /nfs/dbraw/zinc/41/73/34/605417334.db2.gz LGQIHCHPHLAJIN-LBPRGKRZSA-N -1 0 368.394 -0.549 20 0 FBADRM COCCN(CCNC(=O)NC[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000833885996 605415784 /nfs/dbraw/zinc/41/57/84/605415784.db2.gz NHNGOJMNVFTHRN-LLVKDONJSA-N -1 0 366.440 -0.664 20 0 FBADRM COCCN(CCNC(=O)NC[C@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000833886174 605406758 /nfs/dbraw/zinc/40/67/58/605406758.db2.gz QIBKZBLGWXCTPR-LLVKDONJSA-N -1 0 351.425 -0.121 20 0 FBADRM COCCN(CCNC(=O)NC[C@@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC000833886175 605406815 /nfs/dbraw/zinc/40/68/15/605406815.db2.gz QIBKZBLGWXCTPR-NSHDSACASA-N -1 0 351.425 -0.121 20 0 FBADRM COCCN(CCNC(=O)NC[C@@H]1COC2(CCOCC2)O1)C(=O)[O-] ZINC000833886562 606086669 /nfs/dbraw/zinc/08/66/69/606086669.db2.gz VILJVGNJCDEIRD-GFCCVEGCSA-N -1 0 361.395 -0.166 20 0 FBADRM COCCN(CCNC(=O)NC[C@H]1COC2(CCOCC2)O1)C(=O)[O-] ZINC000833886563 606086763 /nfs/dbraw/zinc/08/67/63/606086763.db2.gz VILJVGNJCDEIRD-LBPRGKRZSA-N -1 0 361.395 -0.166 20 0 FBADRM COCCN(CCNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000833886685 605406248 /nfs/dbraw/zinc/40/62/48/605406248.db2.gz VYFLBXJFYLDLFW-LLVKDONJSA-N -1 0 366.440 -0.664 20 0 FBADRM COCCN(CCNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000833886686 605406246 /nfs/dbraw/zinc/40/62/46/605406246.db2.gz VYFLBXJFYLDLFW-NSHDSACASA-N -1 0 366.440 -0.664 20 0 FBADRM COc1ccc2c(c1)OC[C@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)C2 ZINC000833889783 605424729 /nfs/dbraw/zinc/42/47/29/605424729.db2.gz BCRBGUKGBPPKBR-GFCCVEGCSA-N -1 0 363.370 -0.063 20 0 FBADRM COc1ccc2c(c1)OC[C@@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)C2 ZINC000833889784 605424543 /nfs/dbraw/zinc/42/45/43/605424543.db2.gz BCRBGUKGBPPKBR-LBPRGKRZSA-N -1 0 363.370 -0.063 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)N1CCN(CC(F)F)CC1 ZINC000833893453 605421954 /nfs/dbraw/zinc/42/19/54/605421954.db2.gz AMSBGNSTMPEMLB-SECBINFHSA-N -1 0 357.379 -0.533 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N1CCN(CC(F)F)CC1 ZINC000833893454 605421982 /nfs/dbraw/zinc/42/19/82/605421982.db2.gz AMSBGNSTMPEMLB-VIFPVBQESA-N -1 0 357.379 -0.533 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000833893509 605443546 /nfs/dbraw/zinc/44/35/46/605443546.db2.gz BOQVUDHPVVZPHZ-NXEZZACHSA-N -1 0 363.392 -0.890 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000833893510 605443661 /nfs/dbraw/zinc/44/36/61/605443661.db2.gz BOQVUDHPVVZPHZ-UWVGGRQHSA-N -1 0 363.392 -0.890 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000833893511 605443525 /nfs/dbraw/zinc/44/35/25/605443525.db2.gz BOQVUDHPVVZPHZ-VHSXEESVSA-N -1 0 363.392 -0.890 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000833893512 605443517 /nfs/dbraw/zinc/44/35/17/605443517.db2.gz BOQVUDHPVVZPHZ-ZJUUUORDSA-N -1 0 363.392 -0.890 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NCC(=O)NC1CCCCC1 ZINC000833893515 605422171 /nfs/dbraw/zinc/42/21/71/605422171.db2.gz BTDMHDFNKZZDNJ-LLVKDONJSA-N -1 0 363.436 -0.378 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NCC(=O)NC1CCCCC1 ZINC000833893516 605422279 /nfs/dbraw/zinc/42/22/79/605422279.db2.gz BTDMHDFNKZZDNJ-NSHDSACASA-N -1 0 363.436 -0.378 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000833893523 605436018 /nfs/dbraw/zinc/43/60/18/605436018.db2.gz BXAOQVWFBZOEJO-QJPTWQEYSA-N -1 0 364.420 -0.536 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000833893524 605436235 /nfs/dbraw/zinc/43/62/35/605436235.db2.gz BXAOQVWFBZOEJO-SDDRHHMPSA-N -1 0 364.420 -0.536 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000833893525 605436497 /nfs/dbraw/zinc/43/64/97/605436497.db2.gz BXAOQVWFBZOEJO-SRVKXCTJSA-N -1 0 364.420 -0.536 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000833893526 605436398 /nfs/dbraw/zinc/43/63/98/605436398.db2.gz BXAOQVWFBZOEJO-TUAOUCFPSA-N -1 0 364.420 -0.536 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000833893539 605904259 /nfs/dbraw/zinc/90/42/59/605904259.db2.gz CHWASRQPLHAFMH-GHMZBOCLSA-N -1 0 364.420 -0.141 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000833893540 605904292 /nfs/dbraw/zinc/90/42/92/605904292.db2.gz CHWASRQPLHAFMH-MNOVXSKESA-N -1 0 364.420 -0.141 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000833893641 605904203 /nfs/dbraw/zinc/90/42/03/605904203.db2.gz CHWASRQPLHAFMH-QWRGUYRKSA-N -1 0 364.420 -0.141 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000833893642 605904267 /nfs/dbraw/zinc/90/42/67/605904267.db2.gz CHWASRQPLHAFMH-WDEREUQCSA-N -1 0 364.420 -0.141 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)N1CCN(c2ccccn2)CC1 ZINC000833893861 605404313 /nfs/dbraw/zinc/40/43/13/605404313.db2.gz FKTMYSDWMHFSPU-GFCCVEGCSA-N -1 0 370.431 -0.199 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N1CCN(c2ccccn2)CC1 ZINC000833893862 605404268 /nfs/dbraw/zinc/40/42/68/605404268.db2.gz FKTMYSDWMHFSPU-LBPRGKRZSA-N -1 0 370.431 -0.199 20 0 FBADRM CS[C@@H](C)CC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000833893988 605321063 /nfs/dbraw/zinc/32/10/63/605321063.db2.gz UVSQDVNQYJEGTE-JTQLQIEISA-N -1 0 365.477 -0.036 20 0 FBADRM CS[C@H](C)CC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000833893989 605321138 /nfs/dbraw/zinc/32/11/38/605321138.db2.gz UVSQDVNQYJEGTE-SNVBAGLBSA-N -1 0 365.477 -0.036 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000833894043 605421958 /nfs/dbraw/zinc/42/19/58/605421958.db2.gz GXFZUMYLMSLQMC-SRVKXCTJSA-N -1 0 363.436 -0.963 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000833894044 605422351 /nfs/dbraw/zinc/42/23/51/605422351.db2.gz GXFZUMYLMSLQMC-TUAOUCFPSA-N -1 0 363.436 -0.963 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000833894045 605422365 /nfs/dbraw/zinc/42/23/65/605422365.db2.gz GXFZUMYLMSLQMC-UTUOFQBUSA-N -1 0 363.436 -0.963 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000833894046 605422265 /nfs/dbraw/zinc/42/22/65/605422265.db2.gz GXFZUMYLMSLQMC-WOPDTQHZSA-N -1 0 363.436 -0.963 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)N[C@H]1CN(c2ccccc2)C1=O ZINC000833894271 605989922 /nfs/dbraw/zinc/98/99/22/605989922.db2.gz JIWBQWSOHHJPML-NEPJUHHUSA-N -1 0 369.399 -0.411 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CN(c2ccccc2)C1=O ZINC000833894272 605989736 /nfs/dbraw/zinc/98/97/36/605989736.db2.gz JIWBQWSOHHJPML-NWDGAFQWSA-N -1 0 369.399 -0.411 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N[C@H]1CN(c2ccccc2)C1=O ZINC000833894273 605989931 /nfs/dbraw/zinc/98/99/31/605989931.db2.gz JIWBQWSOHHJPML-RYUDHWBXSA-N -1 0 369.399 -0.411 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CN(c2ccccc2)C1=O ZINC000833894274 605989785 /nfs/dbraw/zinc/98/97/85/605989785.db2.gz JIWBQWSOHHJPML-VXGBXAGGSA-N -1 0 369.399 -0.411 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)N1CCN(Cc2ccco2)CC1 ZINC000833894517 605406099 /nfs/dbraw/zinc/40/60/99/605406099.db2.gz LXSQTUSLKIAUNR-CYBMUJFWSA-N -1 0 373.431 -0.005 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N1CCN(Cc2ccco2)CC1 ZINC000833894519 605406086 /nfs/dbraw/zinc/40/60/86/605406086.db2.gz LXSQTUSLKIAUNR-ZDUSSCGKSA-N -1 0 373.431 -0.005 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N1CCS[C@H]2COCC[C@H]21 ZINC000833894585 605439328 /nfs/dbraw/zinc/43/93/28/605439328.db2.gz MJUMLTRBNIWWAW-AXFHLTTASA-N -1 0 366.461 -0.210 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N1CCS[C@H]2COCC[C@@H]21 ZINC000833894586 605439545 /nfs/dbraw/zinc/43/95/45/605439545.db2.gz MJUMLTRBNIWWAW-DCAQKATOSA-N -1 0 366.461 -0.210 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N1CCS[C@@H]2COCC[C@@H]21 ZINC000833894587 605439400 /nfs/dbraw/zinc/43/94/00/605439400.db2.gz MJUMLTRBNIWWAW-GARJFASQSA-N -1 0 366.461 -0.210 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N1CCS[C@@H]2COCC[C@H]21 ZINC000833894588 605439513 /nfs/dbraw/zinc/43/95/13/605439513.db2.gz MJUMLTRBNIWWAW-HBNTYKKESA-N -1 0 366.461 -0.210 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N1CCCN(CC(F)F)CC1 ZINC000833894712 605444979 /nfs/dbraw/zinc/44/49/79/605444979.db2.gz NEJBLXZHIAZHLF-JTQLQIEISA-N -1 0 371.406 -0.143 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)N1CCCN(CC(F)F)CC1 ZINC000833894713 605444883 /nfs/dbraw/zinc/44/48/83/605444883.db2.gz NEJBLXZHIAZHLF-SNVBAGLBSA-N -1 0 371.406 -0.143 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NCC(=O)Nc1ccccc1 ZINC000833894906 605418261 /nfs/dbraw/zinc/41/82/61/605418261.db2.gz OVSFGQRYEBRTSK-LLVKDONJSA-N -1 0 357.388 -0.188 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NCC(=O)Nc1ccccc1 ZINC000833894908 605418363 /nfs/dbraw/zinc/41/83/63/605418363.db2.gz OVSFGQRYEBRTSK-NSHDSACASA-N -1 0 357.388 -0.188 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000833895206 605434054 /nfs/dbraw/zinc/43/40/54/605434054.db2.gz QVMRSHXLQOTXAM-HTQZYQBOSA-N -1 0 362.326 -0.153 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000833895207 605434062 /nfs/dbraw/zinc/43/40/62/605434062.db2.gz QVMRSHXLQOTXAM-JGVFFNPUSA-N -1 0 362.326 -0.153 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000833895209 605434133 /nfs/dbraw/zinc/43/41/33/605434133.db2.gz QVMRSHXLQOTXAM-SFYZADRCSA-N -1 0 362.326 -0.153 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000833895210 605434006 /nfs/dbraw/zinc/43/40/06/605434006.db2.gz QVMRSHXLQOTXAM-YUMQZZPRSA-N -1 0 362.326 -0.153 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000833895236 605405230 /nfs/dbraw/zinc/40/52/30/605405230.db2.gz RMZMSHNRGXQKTQ-LLVKDONJSA-N -1 0 361.420 -0.862 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000833895237 605405119 /nfs/dbraw/zinc/40/51/19/605405119.db2.gz RMZMSHNRGXQKTQ-NSHDSACASA-N -1 0 361.420 -0.862 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NC[C@@H](O)c1ccsc1 ZINC000833895315 605437356 /nfs/dbraw/zinc/43/73/56/605437356.db2.gz SDQBFCVMOIDKLQ-NXEZZACHSA-N -1 0 350.418 -0.031 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NC[C@H](O)c1ccsc1 ZINC000833895317 605437333 /nfs/dbraw/zinc/43/73/33/605437333.db2.gz SDQBFCVMOIDKLQ-UWVGGRQHSA-N -1 0 350.418 -0.031 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NC[C@@H](O)c1ccsc1 ZINC000833895319 605437388 /nfs/dbraw/zinc/43/73/88/605437388.db2.gz SDQBFCVMOIDKLQ-VHSXEESVSA-N -1 0 350.418 -0.031 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NC[C@H](O)c1ccsc1 ZINC000833895321 605437253 /nfs/dbraw/zinc/43/72/53/605437253.db2.gz SDQBFCVMOIDKLQ-ZJUUUORDSA-N -1 0 350.418 -0.031 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)N[C@@H]1COc2ccccc2C1=O ZINC000833895346 605998151 /nfs/dbraw/zinc/99/81/51/605998151.db2.gz SGERMZOGWJGNNG-GHMZBOCLSA-N -1 0 370.383 -0.183 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)N[C@H]1COc2ccccc2C1=O ZINC000833895348 605997998 /nfs/dbraw/zinc/99/79/98/605997998.db2.gz SGERMZOGWJGNNG-MNOVXSKESA-N -1 0 370.383 -0.183 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N[C@H]1COc2ccccc2C1=O ZINC000833895350 605998012 /nfs/dbraw/zinc/99/80/12/605998012.db2.gz SGERMZOGWJGNNG-QWRGUYRKSA-N -1 0 370.383 -0.183 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N[C@@H]1COc2ccccc2C1=O ZINC000833895352 605998044 /nfs/dbraw/zinc/99/80/44/605998044.db2.gz SGERMZOGWJGNNG-WDEREUQCSA-N -1 0 370.383 -0.183 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)N1CCN(c2cnccn2)CC1 ZINC000833895453 605414670 /nfs/dbraw/zinc/41/46/70/605414670.db2.gz SZXSSWMSFAKLBV-LLVKDONJSA-N -1 0 371.419 -0.804 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N1CCN(c2cnccn2)CC1 ZINC000833895455 605414873 /nfs/dbraw/zinc/41/48/73/605414873.db2.gz SZXSSWMSFAKLBV-NSHDSACASA-N -1 0 371.419 -0.804 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000833895622 605442808 /nfs/dbraw/zinc/44/28/08/605442808.db2.gz UPVSFKREWJWKHP-AVGNSLFASA-N -1 0 356.400 -0.168 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000833895623 605442592 /nfs/dbraw/zinc/44/25/92/605442592.db2.gz UPVSFKREWJWKHP-RWMBFGLXSA-N -1 0 356.400 -0.168 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000833895624 605442874 /nfs/dbraw/zinc/44/28/74/605442874.db2.gz UPVSFKREWJWKHP-XQQFMLRXSA-N -1 0 356.400 -0.168 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000833895625 605442424 /nfs/dbraw/zinc/44/24/24/605442424.db2.gz UPVSFKREWJWKHP-YNEHKIRRSA-N -1 0 356.400 -0.168 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NCCN1CCSCC1 ZINC000833895656 605431529 /nfs/dbraw/zinc/43/15/29/605431529.db2.gz VEOJHFQWDANZJE-JTQLQIEISA-N -1 0 353.466 -0.778 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NCCN1CCSCC1 ZINC000833895657 605431777 /nfs/dbraw/zinc/43/17/77/605431777.db2.gz VEOJHFQWDANZJE-SNVBAGLBSA-N -1 0 353.466 -0.778 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)N1CCN(c2ncccn2)CC1 ZINC000833895686 605405365 /nfs/dbraw/zinc/40/53/65/605405365.db2.gz VRPPWPHDHCMOIH-LLVKDONJSA-N -1 0 371.419 -0.804 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N1CCN(c2ncccn2)CC1 ZINC000833895687 605405323 /nfs/dbraw/zinc/40/53/23/605405323.db2.gz VRPPWPHDHCMOIH-NSHDSACASA-N -1 0 371.419 -0.804 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NCCC(=O)N1CCCCC1 ZINC000833895884 605418280 /nfs/dbraw/zinc/41/82/80/605418280.db2.gz XWZJYZQJMWYVPC-LLVKDONJSA-N -1 0 363.436 -0.424 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NCCC(=O)N1CCCCC1 ZINC000833895885 605418150 /nfs/dbraw/zinc/41/81/50/605418150.db2.gz XWZJYZQJMWYVPC-NSHDSACASA-N -1 0 363.436 -0.424 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NN1Cc2ccccc2C1=O ZINC000833896056 605935416 /nfs/dbraw/zinc/93/54/16/605935416.db2.gz YZSUVLIXTGZGBL-LLVKDONJSA-N -1 0 355.372 -0.256 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NN1Cc2ccccc2C1=O ZINC000833896057 605935408 /nfs/dbraw/zinc/93/54/08/605935408.db2.gz YZSUVLIXTGZGBL-NSHDSACASA-N -1 0 355.372 -0.256 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000833896100 605442768 /nfs/dbraw/zinc/44/27/68/605442768.db2.gz ZTJJGPXXBWAJND-NEPJUHHUSA-N -1 0 370.431 -0.153 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000833896101 605442744 /nfs/dbraw/zinc/44/27/44/605442744.db2.gz ZTJJGPXXBWAJND-NWDGAFQWSA-N -1 0 370.431 -0.153 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000833896102 605442596 /nfs/dbraw/zinc/44/25/96/605442596.db2.gz ZTJJGPXXBWAJND-RYUDHWBXSA-N -1 0 370.431 -0.153 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000833896103 605442853 /nfs/dbraw/zinc/44/28/53/605442853.db2.gz ZTJJGPXXBWAJND-VXGBXAGGSA-N -1 0 370.431 -0.153 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NCC1(O)Cc2ccccc2C1 ZINC000833896114 605435418 /nfs/dbraw/zinc/43/54/18/605435418.db2.gz ZVWXSCPROROBCN-CYBMUJFWSA-N -1 0 370.427 -0.297 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NCC1(O)Cc2ccccc2C1 ZINC000833896115 605435162 /nfs/dbraw/zinc/43/51/62/605435162.db2.gz ZVWXSCPROROBCN-ZDUSSCGKSA-N -1 0 370.427 -0.297 20 0 FBADRM Cc1c(C(=O)N2CCN(C(=O)[O-])CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000833896451 605678011 /nfs/dbraw/zinc/67/80/11/605678011.db2.gz FSTOTQVOGSHMFE-UHFFFAOYSA-N -1 0 361.358 -0.624 20 0 FBADRM Cc1c(C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])cccc1S(N)(=O)=O ZINC000833896477 605996042 /nfs/dbraw/zinc/99/60/42/605996042.db2.gz GKCQPSGUTGRRJX-LLVKDONJSA-N -1 0 370.431 -0.334 20 0 FBADRM Cc1c(C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])cccc1S(N)(=O)=O ZINC000833896478 605996068 /nfs/dbraw/zinc/99/60/68/605996068.db2.gz GKCQPSGUTGRRJX-NSHDSACASA-N -1 0 370.431 -0.334 20 0 FBADRM Cc1c(C(=O)N2CC[C@H](NC(N)=O)C2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000833896487 605758964 /nfs/dbraw/zinc/75/89/64/605758964.db2.gz GXCUUBYKRISLMN-JTQLQIEISA-N -1 0 365.394 -0.216 20 0 FBADRM Cc1c(C(=O)N2CC[C@@H](NC(N)=O)C2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000833896488 605759227 /nfs/dbraw/zinc/75/92/27/605759227.db2.gz GXCUUBYKRISLMN-SNVBAGLBSA-N -1 0 365.394 -0.216 20 0 FBADRM Cc1c(C(=O)N2CCOC[C@@H]2C(N)=O)nnn1C1CCN(C(=O)[O-])CC1 ZINC000833896616 605668130 /nfs/dbraw/zinc/66/81/30/605668130.db2.gz KRLYRSJTWIEYAY-LLVKDONJSA-N -1 0 366.378 -0.772 20 0 FBADRM Cc1c(C(=O)N2CCOC[C@H]2C(N)=O)nnn1C1CCN(C(=O)[O-])CC1 ZINC000833896617 605668376 /nfs/dbraw/zinc/66/83/76/605668376.db2.gz KRLYRSJTWIEYAY-NSHDSACASA-N -1 0 366.378 -0.772 20 0 FBADRM Cc1c(C(=O)N2CC[C@@H](NC(=O)[O-])C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000833896857 605697314 /nfs/dbraw/zinc/69/73/14/605697314.db2.gz QGQJLPVCDXLQPA-SECBINFHSA-N -1 0 361.358 -0.577 20 0 FBADRM Cc1c(C(=O)N2CC[C@H](NC(=O)[O-])C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000833896858 605697292 /nfs/dbraw/zinc/69/72/92/605697292.db2.gz QGQJLPVCDXLQPA-VIFPVBQESA-N -1 0 361.358 -0.577 20 0 FBADRM Cc1c(C(=O)N(C)[C@@H]2CCNC2=O)nnn1C1CCN(C(=O)[O-])CC1 ZINC000833897507 605556695 /nfs/dbraw/zinc/55/66/95/605556695.db2.gz BCPSPAMGWZVDFI-LLVKDONJSA-N -1 0 350.379 -0.138 20 0 FBADRM Cc1c(C(=O)N(C)[C@H]2CCNC2=O)nnn1C1CCN(C(=O)[O-])CC1 ZINC000833897508 605556428 /nfs/dbraw/zinc/55/64/28/605556428.db2.gz BCPSPAMGWZVDFI-NSHDSACASA-N -1 0 350.379 -0.138 20 0 FBADRM Cc1c(C(=O)N(C)CC(C)(CO)CO)nnn1C1CCN(C(=O)[O-])CC1 ZINC000833897893 605846661 /nfs/dbraw/zinc/84/66/61/605846661.db2.gz DQJIQSLSYOUKIG-UHFFFAOYSA-N -1 0 369.422 -0.036 20 0 FBADRM Cc1cc(C(=O)N(C)CCN(C)C(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000833898044 605521799 /nfs/dbraw/zinc/52/17/99/605521799.db2.gz DDLSWGQRLSXHRD-UHFFFAOYSA-N -1 0 363.374 -0.378 20 0 FBADRM Cc1c(C(=O)N(C)CCN(C)C(=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000833898450 605504366 /nfs/dbraw/zinc/50/43/66/605504366.db2.gz IDJUQQSCVKITMC-UHFFFAOYSA-N -1 0 363.374 -0.378 20 0 FBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000833898968 605921846 /nfs/dbraw/zinc/92/18/46/605921846.db2.gz XTDWQBWYFOQCKH-CMPLNLGQSA-N -1 0 366.374 -0.484 20 0 FBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000833898972 605922026 /nfs/dbraw/zinc/92/20/26/605922026.db2.gz XTDWQBWYFOQCKH-JQWIXIFHSA-N -1 0 366.374 -0.484 20 0 FBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000833898976 605921961 /nfs/dbraw/zinc/92/19/61/605921961.db2.gz XTDWQBWYFOQCKH-PWSUYJOCSA-N -1 0 366.374 -0.484 20 0 FBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000833898977 605921970 /nfs/dbraw/zinc/92/19/70/605921970.db2.gz XTDWQBWYFOQCKH-ZYHUDNBSSA-N -1 0 366.374 -0.484 20 0 FBADRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000833899202 605919818 /nfs/dbraw/zinc/91/98/18/605919818.db2.gz ZUTBLJAIZGYARE-UHFFFAOYSA-N -1 0 365.390 -0.956 20 0 FBADRM Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)c1C ZINC000833900833 605939345 /nfs/dbraw/zinc/93/93/45/605939345.db2.gz CNAYSVGGYURJCV-UHFFFAOYSA-N -1 0 370.387 -0.632 20 0 FBADRM Cc1cc(S(N)(=O)=O)cc(NC(=O)CNC(=O)CNC(=O)[O-])c1C ZINC000833902053 605361144 /nfs/dbraw/zinc/36/11/44/605361144.db2.gz VOWLGDFDUPRINS-UHFFFAOYSA-N -1 0 358.376 -0.727 20 0 FBADRM Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)NC1CN(C(=O)[O-])C1 ZINC000833902329 605940799 /nfs/dbraw/zinc/94/07/99/605940799.db2.gz YRFPPVSYIUPGCP-UHFFFAOYSA-N -1 0 355.372 -0.185 20 0 FBADRM Cc1ccc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)nc1 ZINC000833902445 605985176 /nfs/dbraw/zinc/98/51/76/605985176.db2.gz IOKXFBSMRGGBPX-UHFFFAOYSA-N -1 0 368.415 -0.160 20 0 FBADRM Cc1ccc(C(=O)N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])CC2)s1 ZINC000833903727 605667627 /nfs/dbraw/zinc/66/76/27/605667627.db2.gz KADFRBJAAGSLQE-JTQLQIEISA-N -1 0 368.415 -0.147 20 0 FBADRM Cc1ccc(C(=O)N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])CC2)s1 ZINC000833903728 605667602 /nfs/dbraw/zinc/66/76/02/605667602.db2.gz KADFRBJAAGSLQE-SNVBAGLBSA-N -1 0 368.415 -0.147 20 0 FBADRM Cc1ccc(C(=O)N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])CC2)cc1 ZINC000833904330 605751610 /nfs/dbraw/zinc/75/16/10/605751610.db2.gz RNJUOLWNJSLDGE-CYBMUJFWSA-N -1 0 362.386 -0.209 20 0 FBADRM Cc1ccc(C(=O)N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])CC2)cc1 ZINC000833904336 605751590 /nfs/dbraw/zinc/75/15/90/605751590.db2.gz RNJUOLWNJSLDGE-ZDUSSCGKSA-N -1 0 362.386 -0.209 20 0 FBADRM Cc1ccc(C(=O)N2CCN(C(=O)CNC(=O)CNC(=O)[O-])CC2)cc1 ZINC000833904616 605367537 /nfs/dbraw/zinc/36/75/37/605367537.db2.gz VCBJZNKWKXULML-UHFFFAOYSA-N -1 0 362.386 -0.337 20 0 FBADRM Cc1ccc(C(=O)N2CCN(C(=O)CNC(=O)CNC(=O)[O-])CC2)s1 ZINC000833904648 605343968 /nfs/dbraw/zinc/34/39/68/605343968.db2.gz WNCHUPAWHGAVMP-UHFFFAOYSA-N -1 0 368.415 -0.275 20 0 FBADRM Cc1cccn2c(=O)c(C(=O)NCC(=O)N3CCN(C(=O)[O-])CC3)cnc12 ZINC000833908355 605865138 /nfs/dbraw/zinc/86/51/38/605865138.db2.gz AKPYVRNQYINTBG-UHFFFAOYSA-N -1 0 373.369 -0.445 20 0 FBADRM Cc1nc(C(=O)Nc2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)c(=O)[nH]c1C ZINC000833912542 605939626 /nfs/dbraw/zinc/93/96/26/605939626.db2.gz LEIVWTWVMHIQEJ-UHFFFAOYSA-N -1 0 362.350 -0.443 20 0 FBADRM Cc1nc(NC(=O)CNC(=O)CNC(=O)[O-])sc1SCC(N)=O ZINC000833914035 605365369 /nfs/dbraw/zinc/36/53/69/605365369.db2.gz PEDKHFFJUYQAHG-UHFFFAOYSA-N -1 0 361.405 -0.649 20 0 FBADRM Cc1nc2nc(N)nn2c(C)c1CCC(=O)NOC[C@@H](C)NC(=O)[O-] ZINC000833914995 606068859 /nfs/dbraw/zinc/06/88/59/606068859.db2.gz HTLPIKNLDLQITQ-SSDOTTSWSA-N -1 0 351.367 -0.040 20 0 FBADRM Cc1nc2nc(N)nn2c(C)c1CCC(=O)NOC[C@H](C)NC(=O)[O-] ZINC000833914996 606069129 /nfs/dbraw/zinc/06/91/29/606069129.db2.gz HTLPIKNLDLQITQ-ZETCQYMHSA-N -1 0 351.367 -0.040 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NOC[C@@H](C)NC(=O)[O-])cn1C ZINC000833915041 606069455 /nfs/dbraw/zinc/06/94/55/606069455.db2.gz ATMTUYZYCNIKLF-MRVPVSSYSA-N -1 0 363.396 -0.899 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NOC[C@H](C)NC(=O)[O-])cn1C ZINC000833915042 606069339 /nfs/dbraw/zinc/06/93/39/606069339.db2.gz ATMTUYZYCNIKLF-QMMMGPOBSA-N -1 0 363.396 -0.899 20 0 FBADRM Cc1nc2n(n1)C[C@H](NC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-])CC2 ZINC000833915081 605968824 /nfs/dbraw/zinc/96/88/24/605968824.db2.gz JBGHQYCEEVBWMP-NEPJUHHUSA-N -1 0 351.411 -0.505 20 0 FBADRM Cc1nc2n(n1)C[C@@H](NC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-])CC2 ZINC000833915086 605968791 /nfs/dbraw/zinc/96/87/91/605968791.db2.gz JBGHQYCEEVBWMP-NWDGAFQWSA-N -1 0 351.411 -0.505 20 0 FBADRM Cc1nc2n(n1)C[C@@H](NC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-])CC2 ZINC000833915087 605968585 /nfs/dbraw/zinc/96/85/85/605968585.db2.gz JBGHQYCEEVBWMP-RYUDHWBXSA-N -1 0 351.411 -0.505 20 0 FBADRM Cc1nc2n(n1)C[C@H](NC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-])CC2 ZINC000833915088 605968605 /nfs/dbraw/zinc/96/86/05/605968605.db2.gz JBGHQYCEEVBWMP-VXGBXAGGSA-N -1 0 351.411 -0.505 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NC[C@@H](C)CNC(=O)[O-])cn1C ZINC000833915147 605816698 /nfs/dbraw/zinc/81/66/98/605816698.db2.gz BZXMMYSPIZPMAG-SECBINFHSA-N -1 0 361.424 -0.583 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NC[C@H](C)CNC(=O)[O-])cn1C ZINC000833915150 605817555 /nfs/dbraw/zinc/81/75/55/605817555.db2.gz BZXMMYSPIZPMAG-VIFPVBQESA-N -1 0 361.424 -0.583 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2C[C@@H](CNC(=O)[O-])C[C@@H]2C)cn1C ZINC000833915180 605936344 /nfs/dbraw/zinc/93/63/44/605936344.db2.gz DBIHCMYJLNBDBK-GXSJLCMTSA-N -1 0 373.435 -0.489 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2C[C@H](CNC(=O)[O-])C[C@H]2C)cn1C ZINC000833915181 605936796 /nfs/dbraw/zinc/93/67/96/605936796.db2.gz DBIHCMYJLNBDBK-KOLCDFICSA-N -1 0 373.435 -0.489 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2C[C@@H](CNC(=O)[O-])C[C@H]2C)cn1C ZINC000833915182 605936677 /nfs/dbraw/zinc/93/66/77/605936677.db2.gz DBIHCMYJLNBDBK-MWLCHTKSSA-N -1 0 373.435 -0.489 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2C[C@H](CNC(=O)[O-])C[C@@H]2C)cn1C ZINC000833915184 605936779 /nfs/dbraw/zinc/93/67/79/605936779.db2.gz DBIHCMYJLNBDBK-ONGXEEELSA-N -1 0 373.435 -0.489 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)C3CN(C(=O)[O-])C3)CC2)cn1C ZINC000833915187 605562318 /nfs/dbraw/zinc/56/23/18/605562318.db2.gz DCAYDMRIWGWLNG-UHFFFAOYSA-N -1 0 371.419 -0.829 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N(C)CCN(C)C(=O)[O-])cn1C ZINC000833915193 605520014 /nfs/dbraw/zinc/52/00/14/605520014.db2.gz DEFSQOPEDJVPDJ-UHFFFAOYSA-N -1 0 361.424 -0.535 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)C3CN(C(=O)[O-])C3)CC2)cs1 ZINC000833915564 605523326 /nfs/dbraw/zinc/52/33/26/605523326.db2.gz IGTGHIGUQIBILB-UHFFFAOYSA-N -1 0 374.444 -0.106 20 0 FBADRM Cc1nc2n(n1)C[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C)CC2 ZINC000833915602 605494208 /nfs/dbraw/zinc/49/42/08/605494208.db2.gz PMWGWHYGMNJDRY-GWCFXTLKSA-N -1 0 352.395 -0.574 20 0 FBADRM Cc1nc2n(n1)C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C)CC2 ZINC000833915604 605493962 /nfs/dbraw/zinc/49/39/62/605493962.db2.gz PMWGWHYGMNJDRY-MFKMUULPSA-N -1 0 352.395 -0.574 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NC[C@@H](NC(=O)[O-])C2CC2)cn1C ZINC000833915617 605913912 /nfs/dbraw/zinc/91/39/12/605913912.db2.gz IQMJCJFJJLUUDF-LLVKDONJSA-N -1 0 373.435 -0.441 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NC[C@H](NC(=O)[O-])C2CC2)cn1C ZINC000833915622 605913936 /nfs/dbraw/zinc/91/39/36/605913936.db2.gz IQMJCJFJJLUUDF-NSHDSACASA-N -1 0 373.435 -0.441 20 0 FBADRM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)[C@@H](CC(N)=O)NC(=O)[O-] ZINC000833915655 605668982 /nfs/dbraw/zinc/66/89/82/605668982.db2.gz JDRPYNSBGLCYNC-SECBINFHSA-N -1 0 364.362 -0.581 20 0 FBADRM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)[C@H](CC(N)=O)NC(=O)[O-] ZINC000833915658 605669210 /nfs/dbraw/zinc/66/92/10/605669210.db2.gz JDRPYNSBGLCYNC-VIFPVBQESA-N -1 0 364.362 -0.581 20 0 FBADRM Cc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000833915959 605500467 /nfs/dbraw/zinc/50/04/67/605500467.db2.gz SOCMWIJOPBLGKR-JQWIXIFHSA-N -1 0 352.395 -0.054 20 0 FBADRM Cc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000833915965 605500358 /nfs/dbraw/zinc/50/03/58/605500358.db2.gz SOCMWIJOPBLGKR-PWSUYJOCSA-N -1 0 352.395 -0.054 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N[C@H](C)CCNC(=O)[O-])cn1C ZINC000833916067 605481347 /nfs/dbraw/zinc/48/13/47/605481347.db2.gz NKKNBUAUNAAHJD-SECBINFHSA-N -1 0 361.424 -0.441 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H](C)CCNC(=O)[O-])cn1C ZINC000833916069 605481408 /nfs/dbraw/zinc/48/14/08/605481408.db2.gz NKKNBUAUNAAHJD-VIFPVBQESA-N -1 0 361.424 -0.441 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)OCC(C)(C)NC(=O)[O-])cn1C ZINC000833916338 605743378 /nfs/dbraw/zinc/74/33/78/605743378.db2.gz QDONLIQGNZLUCQ-UHFFFAOYSA-N -1 0 362.408 -0.014 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[O-])[C@H](C)[C@H]2C)cn1C ZINC000833916394 606025805 /nfs/dbraw/zinc/02/58/05/606025805.db2.gz QVPKAPJXMFNWCA-NXEZZACHSA-N -1 0 373.435 -0.394 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[O-])[C@@H](C)[C@@H]2C)cn1C ZINC000833916399 606025824 /nfs/dbraw/zinc/02/58/24/606025824.db2.gz QVPKAPJXMFNWCA-UWVGGRQHSA-N -1 0 373.435 -0.394 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[O-])[C@H](C)[C@@H]2C)cn1C ZINC000833916402 606025783 /nfs/dbraw/zinc/02/57/83/606025783.db2.gz QVPKAPJXMFNWCA-VHSXEESVSA-N -1 0 373.435 -0.394 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[O-])[C@@H](C)[C@H]2C)cn1C ZINC000833916404 606025912 /nfs/dbraw/zinc/02/59/12/606025912.db2.gz QVPKAPJXMFNWCA-ZJUUUORDSA-N -1 0 373.435 -0.394 20 0 FBADRM Cc1nc(S(=O)(=O)NCCC(=O)NCC2CN(C(=O)[O-])C2)cn1C ZINC000833916435 605757755 /nfs/dbraw/zinc/75/77/55/605757755.db2.gz RGHRAXDQVTUZMX-UHFFFAOYSA-N -1 0 359.408 -0.877 20 0 FBADRM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)CNC(=O)CNC(=O)[O-] ZINC000833916950 605383766 /nfs/dbraw/zinc/38/37/66/605383766.db2.gz UKMOZMNZYRUHGC-UHFFFAOYSA-N -1 0 364.362 -0.709 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NC[C@H](NC(=O)[O-])C2CC2)cn1C ZINC000833916993 605915330 /nfs/dbraw/zinc/91/53/30/605915330.db2.gz VEWMTBACCMFDNK-JTQLQIEISA-N -1 0 359.408 -0.831 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H](NC(=O)[O-])C2CC2)cn1C ZINC000833916994 605915338 /nfs/dbraw/zinc/91/53/38/605915338.db2.gz VEWMTBACCMFDNK-SNVBAGLBSA-N -1 0 359.408 -0.831 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN([C@@H]3CCN(C(=O)[O-])C3)CC2)cn1C ZINC000833917046 605618560 /nfs/dbraw/zinc/61/85/60/605618560.db2.gz VSPAVRASZKETOB-GFCCVEGCSA-N -1 0 357.436 -0.213 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN([C@H]3CCN(C(=O)[O-])C3)CC2)cn1C ZINC000833917050 605618768 /nfs/dbraw/zinc/61/87/68/605618768.db2.gz VSPAVRASZKETOB-LBPRGKRZSA-N -1 0 357.436 -0.213 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2C[C@@H](C)N(C(=O)[O-])C[C@H]2C)cn1C ZINC000833917055 605778294 /nfs/dbraw/zinc/77/82/94/605778294.db2.gz VVSOFAZLVMRBKR-NXEZZACHSA-N -1 0 373.435 -0.394 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2C[C@H](C)N(C(=O)[O-])C[C@@H]2C)cn1C ZINC000833917056 605778225 /nfs/dbraw/zinc/77/82/25/605778225.db2.gz VVSOFAZLVMRBKR-UWVGGRQHSA-N -1 0 373.435 -0.394 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2C[C@@H](C)N(C(=O)[O-])C[C@@H]2C)cn1C ZINC000833917057 605778281 /nfs/dbraw/zinc/77/82/81/605778281.db2.gz VVSOFAZLVMRBKR-VHSXEESVSA-N -1 0 373.435 -0.394 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2C[C@H](C)N(C(=O)[O-])C[C@H]2C)cn1C ZINC000833917058 605778249 /nfs/dbraw/zinc/77/82/49/605778249.db2.gz VVSOFAZLVMRBKR-ZJUUUORDSA-N -1 0 373.435 -0.394 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@@H]([C@H](C)NC(=O)[O-])C2)cn1C ZINC000833917303 605555983 /nfs/dbraw/zinc/55/59/83/605555983.db2.gz XBSMUBHMCLHKIH-GXSJLCMTSA-N -1 0 373.435 -0.489 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@H]([C@@H](C)NC(=O)[O-])C2)cn1C ZINC000833917304 605556518 /nfs/dbraw/zinc/55/65/18/605556518.db2.gz XBSMUBHMCLHKIH-KOLCDFICSA-N -1 0 373.435 -0.489 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@@H]([C@@H](C)NC(=O)[O-])C2)cn1C ZINC000833917305 605556457 /nfs/dbraw/zinc/55/64/57/605556457.db2.gz XBSMUBHMCLHKIH-MWLCHTKSSA-N -1 0 373.435 -0.489 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@H]([C@H](C)NC(=O)[O-])C2)cn1C ZINC000833917306 605556541 /nfs/dbraw/zinc/55/65/41/605556541.db2.gz XBSMUBHMCLHKIH-ONGXEEELSA-N -1 0 373.435 -0.489 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)OC2CCN(C(=O)[O-])CC2)cn1C ZINC000833917516 605414653 /nfs/dbraw/zinc/41/46/53/605414653.db2.gz ZRBYRFCWJFYEJO-UHFFFAOYSA-N -1 0 360.392 -0.308 20 0 FBADRM Cc1ncsc1-c1nc(COC(=O)CNC(=O)CNC(=O)[O-])no1 ZINC000833917655 605383847 /nfs/dbraw/zinc/38/38/47/605383847.db2.gz IWSGXBKUJKNWIT-UHFFFAOYSA-N -1 0 355.332 -0.071 20 0 FBADRM Cc1nn(C)cc1CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000833919614 605623063 /nfs/dbraw/zinc/62/30/63/605623063.db2.gz LYWPREVWQBPTBB-UHFFFAOYSA-N -1 0 357.436 -0.462 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)c3cnc(NC(=O)[O-])cn3)CC2)n1C ZINC000833922963 606057693 /nfs/dbraw/zinc/05/76/93/606057693.db2.gz CGXTYDRKIGONLF-UHFFFAOYSA-N -1 0 360.378 -0.039 20 0 FBADRM Cc1nnc(CN2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)s1 ZINC000833922992 605883558 /nfs/dbraw/zinc/88/35/58/605883558.db2.gz CSOUNUJYSGMMQM-UHFFFAOYSA-N -1 0 361.449 -0.344 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)CCOC3CN(C(=O)[O-])C3)CC2)n1C ZINC000833923074 605309673 /nfs/dbraw/zinc/30/96/73/605309673.db2.gz DIECGYGZXUROST-UHFFFAOYSA-N -1 0 366.422 -0.463 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)NC[C@@H](C)CNC(=O)[O-])CC2)n1C ZINC000833923649 605824713 /nfs/dbraw/zinc/82/47/13/605824713.db2.gz IEGAWZCVJCSYGW-LLVKDONJSA-N -1 0 353.427 -0.146 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)NC[C@H](C)CNC(=O)[O-])CC2)n1C ZINC000833923657 605825140 /nfs/dbraw/zinc/82/51/40/605825140.db2.gz IEGAWZCVJCSYGW-NSHDSACASA-N -1 0 353.427 -0.146 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)NC[C@@H](NC(=O)[O-])C3CC3)CC2)n1C ZINC000833924274 605948401 /nfs/dbraw/zinc/94/84/01/605948401.db2.gz PKKOXZIUISBFEH-CYBMUJFWSA-N -1 0 365.438 -0.003 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)NC[C@H](NC(=O)[O-])C3CC3)CC2)n1C ZINC000833924275 605948302 /nfs/dbraw/zinc/94/83/02/605948302.db2.gz PKKOXZIUISBFEH-ZDUSSCGKSA-N -1 0 365.438 -0.003 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)N[C@H](C)CCNC(=O)[O-])CC2)n1C ZINC000833924307 605683521 /nfs/dbraw/zinc/68/35/21/605683521.db2.gz QOWBDMWPZIYAFO-LLVKDONJSA-N -1 0 353.427 -0.003 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)N[C@@H](C)CCNC(=O)[O-])CC2)n1C ZINC000833924308 605683647 /nfs/dbraw/zinc/68/36/47/605683647.db2.gz QOWBDMWPZIYAFO-NSHDSACASA-N -1 0 353.427 -0.003 20 0 FBADRM Cc1nnc(CN2CCN(CN3C[C@H](NC(=O)[O-])CC3=O)CC2)n1C ZINC000833924558 605996015 /nfs/dbraw/zinc/99/60/15/605996015.db2.gz UWIUBFLONLNSHU-GFCCVEGCSA-N -1 0 351.411 -0.933 20 0 FBADRM Cc1nnc(CN2CCN(CN3C[C@@H](NC(=O)[O-])CC3=O)CC2)n1C ZINC000833924561 605996001 /nfs/dbraw/zinc/99/60/01/605996001.db2.gz UWIUBFLONLNSHU-LBPRGKRZSA-N -1 0 351.411 -0.933 20 0 FBADRM Cc1nnc2n1C[C@H](NC(=O)N(C)CCN1CCN(C(=O)[O-])CC1)CC2 ZINC000833924875 605823725 /nfs/dbraw/zinc/82/37/25/605823725.db2.gz ADMHLMPZAZDIBV-CYBMUJFWSA-N -1 0 365.438 -0.162 20 0 FBADRM Cc1nnc2n1C[C@@H](NC(=O)N(C)CCN1CCN(C(=O)[O-])CC1)CC2 ZINC000833924876 605823642 /nfs/dbraw/zinc/82/36/42/605823642.db2.gz ADMHLMPZAZDIBV-ZDUSSCGKSA-N -1 0 365.438 -0.162 20 0 FBADRM Cc1nnc2n1C[C@H](C(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1)CC2 ZINC000833924934 605837182 /nfs/dbraw/zinc/83/71/82/605837182.db2.gz AWQNZPJEAQFVIO-GFCCVEGCSA-N -1 0 364.406 -0.570 20 0 FBADRM Cc1nnc2n1C[C@@H](C(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1)CC2 ZINC000833924935 605837388 /nfs/dbraw/zinc/83/73/88/605837388.db2.gz AWQNZPJEAQFVIO-LBPRGKRZSA-N -1 0 364.406 -0.570 20 0 FBADRM Cc1nnc2n1C[C@H](NC(=O)NCCCN1CCN(C(=O)[O-])CC1)CC2 ZINC000833924964 605819655 /nfs/dbraw/zinc/81/96/55/605819655.db2.gz BHEWUSJZLJZJAB-CYBMUJFWSA-N -1 0 365.438 -0.114 20 0 FBADRM Cc1nnc2n1C[C@@H](NC(=O)NCCCN1CCN(C(=O)[O-])CC1)CC2 ZINC000833924967 605819430 /nfs/dbraw/zinc/81/94/30/605819430.db2.gz BHEWUSJZLJZJAB-ZDUSSCGKSA-N -1 0 365.438 -0.114 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)NCC3CN(C(=O)[O-])C3)CC2)n1C ZINC000833924982 605769507 /nfs/dbraw/zinc/76/95/07/605769507.db2.gz YYWKERJXBGGECE-UHFFFAOYSA-N -1 0 351.411 -0.439 20 0 FBADRM Cc1nnnn1-c1cc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)ccc1F ZINC000833925386 605940732 /nfs/dbraw/zinc/94/07/32/605940732.db2.gz BTGOSEUSMOCUSZ-UHFFFAOYSA-N -1 0 363.309 -0.473 20 0 FBADRM Cc1nnc2n1C[C@H](NC(=O)NCCN1CCN(C(=O)[O-])CC1)CC2 ZINC000833926023 605819594 /nfs/dbraw/zinc/81/95/94/605819594.db2.gz FYCDAAJEYPQHRQ-GFCCVEGCSA-N -1 0 351.411 -0.504 20 0 FBADRM Cc1nnc2n1C[C@@H](NC(=O)NCCN1CCN(C(=O)[O-])CC1)CC2 ZINC000833926032 605819559 /nfs/dbraw/zinc/81/95/59/605819559.db2.gz FYCDAAJEYPQHRQ-LBPRGKRZSA-N -1 0 351.411 -0.504 20 0 FBADRM Cc1nnnn1-c1cccc(NC(=O)C(=O)N(C)CCN(C)C(=O)[O-])c1 ZINC000833926064 605541197 /nfs/dbraw/zinc/54/11/97/605541197.db2.gz GEODCONGVQSIOB-UHFFFAOYSA-N -1 0 361.362 -0.023 20 0 FBADRM Cc1nnc2n1C[C@H](C(=O)NCCCN1CCN(C(=O)[O-])CC1)CC2 ZINC000833926302 605837044 /nfs/dbraw/zinc/83/70/44/605837044.db2.gz IEQDFMDHDANZMN-CYBMUJFWSA-N -1 0 350.423 -0.049 20 0 FBADRM Cc1nnc2n1C[C@@H](C(=O)NCCCN1CCN(C(=O)[O-])CC1)CC2 ZINC000833926305 605837210 /nfs/dbraw/zinc/83/72/10/605837210.db2.gz IEQDFMDHDANZMN-ZDUSSCGKSA-N -1 0 350.423 -0.049 20 0 FBADRM Cc1noc([C@H](C)N2CCN(CN3C[C@H](NC(=O)[O-])CC3=O)CC2)n1 ZINC000833927459 605995733 /nfs/dbraw/zinc/99/57/33/605995733.db2.gz JPRBHNADCGUOBP-CMPLNLGQSA-N -1 0 352.395 -0.117 20 0 FBADRM Cc1noc([C@H](C)N2CCN(CN3C[C@@H](NC(=O)[O-])CC3=O)CC2)n1 ZINC000833927462 605995993 /nfs/dbraw/zinc/99/59/93/605995993.db2.gz JPRBHNADCGUOBP-JQWIXIFHSA-N -1 0 352.395 -0.117 20 0 FBADRM Cc1noc([C@@H](C)N2CCN(CN3C[C@@H](NC(=O)[O-])CC3=O)CC2)n1 ZINC000833927468 605995887 /nfs/dbraw/zinc/99/58/87/605995887.db2.gz JPRBHNADCGUOBP-PWSUYJOCSA-N -1 0 352.395 -0.117 20 0 FBADRM Cc1noc([C@@H](C)N2CCN(CN3C[C@H](NC(=O)[O-])CC3=O)CC2)n1 ZINC000833927474 605995987 /nfs/dbraw/zinc/99/59/87/605995987.db2.gz JPRBHNADCGUOBP-ZYHUDNBSSA-N -1 0 352.395 -0.117 20 0 FBADRM Cc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@@H](C)CNC(=O)[O-])c1 ZINC000833927501 605820535 /nfs/dbraw/zinc/82/05/35/605820535.db2.gz NGJRZXMOHXDKAL-SECBINFHSA-N -1 0 361.362 -0.071 20 0 FBADRM Cc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@H](C)CNC(=O)[O-])c1 ZINC000833927509 605820668 /nfs/dbraw/zinc/82/06/68/605820668.db2.gz NGJRZXMOHXDKAL-VIFPVBQESA-N -1 0 361.362 -0.071 20 0 FBADRM Cc1nnc2n1C[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C)CC2 ZINC000833927579 605493916 /nfs/dbraw/zinc/49/39/16/605493916.db2.gz MSODUEIQOZLCOS-GWCFXTLKSA-N -1 0 352.395 -0.574 20 0 FBADRM Cc1nnc2n1C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C)CC2 ZINC000833927584 605494105 /nfs/dbraw/zinc/49/41/05/605494105.db2.gz MSODUEIQOZLCOS-MFKMUULPSA-N -1 0 352.395 -0.574 20 0 FBADRM Cc1nnc2n1C[C@H](NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)CC2 ZINC000833927991 605819424 /nfs/dbraw/zinc/81/94/24/605819424.db2.gz QALFXNZPCZVGRE-LLVKDONJSA-N -1 0 365.394 -0.977 20 0 FBADRM Cc1nnc2n1C[C@@H](NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)CC2 ZINC000833927996 605819700 /nfs/dbraw/zinc/81/97/00/605819700.db2.gz QALFXNZPCZVGRE-NSHDSACASA-N -1 0 365.394 -0.977 20 0 FBADRM Cc1nnnn1-c1cc(NC(=O)CNC(=O)CNC(=O)[O-])ccc1F ZINC000833928054 605377510 /nfs/dbraw/zinc/37/75/10/605377510.db2.gz PZZVHEKECUOMHH-UHFFFAOYSA-N -1 0 351.298 -0.568 20 0 FBADRM Cc1nnnn1-c1cc(NC(=O)[C@@H](CC(N)=O)NC(=O)[O-])ccc1F ZINC000833928144 605767365 /nfs/dbraw/zinc/76/73/65/605767365.db2.gz QWYWUUGXKOEEMG-SECBINFHSA-N -1 0 351.298 -0.440 20 0 FBADRM Cc1nnnn1-c1cc(NC(=O)[C@H](CC(N)=O)NC(=O)[O-])ccc1F ZINC000833928150 605767486 /nfs/dbraw/zinc/76/74/86/605767486.db2.gz QWYWUUGXKOEEMG-VIFPVBQESA-N -1 0 351.298 -0.440 20 0 FBADRM Cc1nnccc1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000833928197 605985046 /nfs/dbraw/zinc/98/50/46/605985046.db2.gz RBXJDEHZVULGDC-UHFFFAOYSA-N -1 0 369.403 -0.765 20 0 FBADRM Cc1nnccc1C(=O)NCC(CNC(=O)c1ccnnc1C)NC(=O)[O-] ZINC000833928304 605985217 /nfs/dbraw/zinc/98/52/17/605985217.db2.gz RTLCPZMATWKMAC-UHFFFAOYSA-N -1 0 373.373 -0.321 20 0 FBADRM Cc1nnc2n1C[C@H](NC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1)CC2 ZINC000833928346 605824431 /nfs/dbraw/zinc/82/44/31/605824431.db2.gz RIJKKPAPFTXBNL-JLLWLGSASA-N -1 0 352.395 -0.032 20 0 FBADRM Cc1nnc2n1C[C@H](NC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1)CC2 ZINC000833928347 605824554 /nfs/dbraw/zinc/82/45/54/605824554.db2.gz RIJKKPAPFTXBNL-MVWJERBFSA-N -1 0 352.395 -0.032 20 0 FBADRM Cc1nnc2n1C[C@H](NC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1)CC2 ZINC000833928348 605824550 /nfs/dbraw/zinc/82/45/50/605824550.db2.gz RIJKKPAPFTXBNL-WCQGTBRESA-N -1 0 352.395 -0.032 20 0 FBADRM Cc1nnc2n1C[C@H](NC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1)CC2 ZINC000833928349 605824533 /nfs/dbraw/zinc/82/45/33/605824533.db2.gz RIJKKPAPFTXBNL-YUSALJHKSA-N -1 0 352.395 -0.032 20 0 FBADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)NCCN1C(=S)N=NC1C ZINC000833928897 605497389 /nfs/dbraw/zinc/49/73/89/605497389.db2.gz VPBIYPZPBGJNFN-JTQLQIEISA-N -1 0 358.424 -0.600 20 0 FBADRM Cc1nnc2n1C[C@H](C(=O)N(C)CCN1CCN(C(=O)[O-])CC1)CC2 ZINC000833928971 605837863 /nfs/dbraw/zinc/83/78/63/605837863.db2.gz VVDFJVBGOIGQBQ-CYBMUJFWSA-N -1 0 350.423 -0.097 20 0 FBADRM Cc1nnc2n1C[C@@H](C(=O)N(C)CCN1CCN(C(=O)[O-])CC1)CC2 ZINC000833928979 605837802 /nfs/dbraw/zinc/83/78/02/605837802.db2.gz VVDFJVBGOIGQBQ-ZDUSSCGKSA-N -1 0 350.423 -0.097 20 0 FBADRM Cc1noc([C@@H](C)N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])CC2)n1 ZINC000833928980 605757569 /nfs/dbraw/zinc/75/75/69/605757569.db2.gz QRBWYLFECMPCIH-PSASIEDQSA-N -1 0 354.367 -0.905 20 0 FBADRM Cc1noc([C@@H](C)N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])CC2)n1 ZINC000833929080 605758650 /nfs/dbraw/zinc/75/86/50/605758650.db2.gz QRBWYLFECMPCIH-SCZZXKLOSA-N -1 0 354.367 -0.905 20 0 FBADRM Cc1noc([C@H](C)N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])CC2)n1 ZINC000833929083 605758374 /nfs/dbraw/zinc/75/83/74/605758374.db2.gz QRBWYLFECMPCIH-WCBMZHEXSA-N -1 0 354.367 -0.905 20 0 FBADRM Cc1noc([C@H](C)N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])CC2)n1 ZINC000833929086 605758631 /nfs/dbraw/zinc/75/86/31/605758631.db2.gz QRBWYLFECMPCIH-WPRPVWTQSA-N -1 0 354.367 -0.905 20 0 FBADRM Cc1nnc2n1C[C@H](C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)CC2 ZINC000833929657 605837845 /nfs/dbraw/zinc/83/78/45/605837845.db2.gz ZUNMKUGIKFBUNE-LLVKDONJSA-N -1 0 350.379 -0.913 20 0 FBADRM Cc1nnc2n1C[C@@H](C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)CC2 ZINC000833929658 605837857 /nfs/dbraw/zinc/83/78/57/605837857.db2.gz ZUNMKUGIKFBUNE-NSHDSACASA-N -1 0 350.379 -0.913 20 0 FBADRM Cc1nnnn1-c1cccc(NC(=O)C(=O)NCC2CN(C(=O)[O-])C2)c1 ZINC000833929756 605780223 /nfs/dbraw/zinc/78/02/23/605780223.db2.gz VKKWKTXDGQXATJ-UHFFFAOYSA-N -1 0 359.346 -0.365 20 0 FBADRM Cc1noc(C)c1CN1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])CC1 ZINC000833930345 605751465 /nfs/dbraw/zinc/75/14/65/605751465.db2.gz DTJOKBABGONMOL-GFCCVEGCSA-N -1 0 353.379 -0.553 20 0 FBADRM Cc1noc(C)c1CN1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])CC1 ZINC000833930346 605751732 /nfs/dbraw/zinc/75/17/32/605751732.db2.gz DTJOKBABGONMOL-LBPRGKRZSA-N -1 0 353.379 -0.553 20 0 FBADRM Cc1noc(C)c1CN1CCN(C(=O)CNC(=O)CNC(=O)[O-])CC1 ZINC000833932436 605368503 /nfs/dbraw/zinc/36/85/03/605368503.db2.gz ZYBAKOCPEJLHEB-UHFFFAOYSA-N -1 0 353.379 -0.681 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C2CN(C(=O)[O-])C2)CC1 ZINC000833932561 605505781 /nfs/dbraw/zinc/50/57/81/605505781.db2.gz OKEASQGBPQMSEJ-UHFFFAOYSA-N -1 0 372.403 -0.266 20 0 FBADRM Cc1nsc(N2CCCN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])CC2)n1 ZINC000833933037 605760056 /nfs/dbraw/zinc/76/00/56/605760056.db2.gz DFMFCJWYCFWGKM-SECBINFHSA-N -1 0 356.408 -0.603 20 0 FBADRM Cc1nsc(N2CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])CC2)n1 ZINC000833933045 605760136 /nfs/dbraw/zinc/76/01/36/605760136.db2.gz DFMFCJWYCFWGKM-VIFPVBQESA-N -1 0 356.408 -0.603 20 0 FBADRM Cc1nsc(N2CCCN(C(=O)CNC(=O)CNC(=O)[O-])CC2)n1 ZINC000833935014 605350659 /nfs/dbraw/zinc/35/06/59/605350659.db2.gz GXWABSQZQFWZIN-UHFFFAOYSA-N -1 0 356.408 -0.731 20 0 FBADRM Cc1nscc1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000833936317 605871340 /nfs/dbraw/zinc/87/13/40/605871340.db2.gz NWXZUJNHECWJML-UHFFFAOYSA-N -1 0 374.444 -0.099 20 0 FBADRM Cn1c2[nH]c(CCC(=O)NCC3CN(C(=O)[O-])C3)nc2c(=O)[nH]c1=O ZINC000833937642 605783938 /nfs/dbraw/zinc/78/39/38/605783938.db2.gz FXVJJIQCOXOLSZ-UHFFFAOYSA-N -1 0 350.335 -0.979 20 0 FBADRM Cn1c2[nH]c(CCC(=O)OCC(C)(C)NC(=O)[O-])nc2c(=O)[nH]c1=O ZINC000833937745 605567305 /nfs/dbraw/zinc/56/73/05/605567305.db2.gz HIVOQXFNCQRIIT-UHFFFAOYSA-N -1 0 353.335 -0.116 20 0 FBADRM Cn1c(=O)[nH]c2ccc(C(=O)NCC(=O)N3CCN(C(=O)[O-])CC3)cc21 ZINC000833938195 605853081 /nfs/dbraw/zinc/85/30/81/605853081.db2.gz KLYJCVZEODMXJN-UHFFFAOYSA-N -1 0 361.358 -0.169 20 0 FBADRM Cc1occc1-c1cc(NC(=O)CNC(=O)CNC(=O)[O-])n(CCO)n1 ZINC000833938242 605377923 /nfs/dbraw/zinc/37/79/23/605377923.db2.gz ISYVYKDZFJELNF-UHFFFAOYSA-N -1 0 365.346 -0.234 20 0 FBADRM Cc1occc1-c1cc(NC(=O)[C@@H](CC(N)=O)NC(=O)[O-])n(CCO)n1 ZINC000833938262 605452511 /nfs/dbraw/zinc/45/25/11/605452511.db2.gz JGRNEWIJDIXYHC-LLVKDONJSA-N -1 0 365.346 -0.106 20 0 FBADRM Cc1occc1-c1cc(NC(=O)[C@H](CC(N)=O)NC(=O)[O-])n(CCO)n1 ZINC000833938263 605452540 /nfs/dbraw/zinc/45/25/40/605452540.db2.gz JGRNEWIJDIXYHC-NSHDSACASA-N -1 0 365.346 -0.106 20 0 FBADRM Cc1occc1C(=O)NC1CCN(C(=O)CNC(=O)CNC(=O)[O-])CC1 ZINC000833938641 605340056 /nfs/dbraw/zinc/34/00/56/605340056.db2.gz LLKBMJZRZVAVTR-UHFFFAOYSA-N -1 0 366.374 -0.307 20 0 FBADRM Cn1c2[nH]c(CCC(=O)NC[C@@H](NC(=O)[O-])C3CC3)nc2c(=O)[nH]c1=O ZINC000833938730 605994156 /nfs/dbraw/zinc/99/41/56/605994156.db2.gz PHRSQOGTZGKRET-MRVPVSSYSA-N -1 0 364.362 -0.543 20 0 FBADRM Cn1c2[nH]c(CCC(=O)NC[C@H](NC(=O)[O-])C3CC3)nc2c(=O)[nH]c1=O ZINC000833938732 605994218 /nfs/dbraw/zinc/99/42/18/605994218.db2.gz PHRSQOGTZGKRET-QMMMGPOBSA-N -1 0 364.362 -0.543 20 0 FBADRM Cn1c2[nH]c(CCC(=O)OC3CCN(C(=O)[O-])CC3)nc2c(=O)[nH]c1=O ZINC000833938880 605732732 /nfs/dbraw/zinc/73/27/32/605732732.db2.gz RWNHXIJCZYESQY-UHFFFAOYSA-N -1 0 365.346 -0.020 20 0 FBADRM Cc1sc2ncn(NC(=O)CNC(=O)CNC(=O)[O-])c(=O)c2c1C ZINC000833939223 605363430 /nfs/dbraw/zinc/36/34/30/605363430.db2.gz YLYCPDFVZDZYRF-UHFFFAOYSA-N -1 0 353.360 -0.471 20 0 FBADRM Cc1occc1C(=O)NC1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])CC1 ZINC000833939386 605756145 /nfs/dbraw/zinc/75/61/45/605756145.db2.gz VISXCDPLOSVXPR-GFCCVEGCSA-N -1 0 366.374 -0.180 20 0 FBADRM Cc1occc1C(=O)NC1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])CC1 ZINC000833939387 605755938 /nfs/dbraw/zinc/75/59/38/605755938.db2.gz VISXCDPLOSVXPR-LBPRGKRZSA-N -1 0 366.374 -0.180 20 0 FBADRM Cn1c(C(=O)NC[C@H](NC(=O)[O-])C2CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000833939524 605994299 /nfs/dbraw/zinc/99/42/99/605994299.db2.gz ATNPZWAUPWTUGA-JTQLQIEISA-N -1 0 363.374 -0.648 20 0 FBADRM Cn1c(C(=O)NC[C@@H](NC(=O)[O-])C2CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000833939528 605994270 /nfs/dbraw/zinc/99/42/70/605994270.db2.gz ATNPZWAUPWTUGA-SNVBAGLBSA-N -1 0 363.374 -0.648 20 0 FBADRM Cn1c2ncn(CC(=O)OC3CCN(C(=O)[O-])CC3)c2c(=O)n(C)c1=O ZINC000833939644 605728767 /nfs/dbraw/zinc/72/87/67/605728767.db2.gz BYMURYSABUWKFI-UHFFFAOYSA-N -1 0 365.346 -0.881 20 0 FBADRM Cn1c(=O)c2cc(C(=O)OC3CCN(C(=O)[O-])CC3)cnc2n(C)c1=O ZINC000833939650 605735423 /nfs/dbraw/zinc/73/54/23/605735423.db2.gz CDYZUZGEHVARSV-UHFFFAOYSA-N -1 0 362.342 -0.069 20 0 FBADRM Cn1c2[nH]c(COC(=O)[C@@]3(C)CCN(C(=O)[O-])C3)nc2c(=O)n(C)c1=O ZINC000833939662 605649071 /nfs/dbraw/zinc/64/90/71/605649071.db2.gz CKUKVARJICFNOO-HNNXBMFYSA-N -1 0 365.346 -0.607 20 0 FBADRM Cn1c2[nH]c(COC(=O)[C@]3(C)CCN(C(=O)[O-])C3)nc2c(=O)n(C)c1=O ZINC000833939665 605648970 /nfs/dbraw/zinc/64/89/70/605648970.db2.gz CKUKVARJICFNOO-OAHLLOKOSA-N -1 0 365.346 -0.607 20 0 FBADRM Cn1c2[nH]c(COC(=O)CC3(NC(=O)[O-])CCC3)nc2c(=O)n(C)c1=O ZINC000833939717 605646634 /nfs/dbraw/zinc/64/66/34/605646634.db2.gz DKLMMNFGMMYDHA-UHFFFAOYSA-N -1 0 365.346 -0.416 20 0 FBADRM Cn1c(=O)c2cc(C(=O)NC[C@@H](NC(=O)[O-])C3CC3)cnc2n(C)c1=O ZINC000833939721 605861872 /nfs/dbraw/zinc/86/18/72/605861872.db2.gz DQAUGADULGHDJW-LLVKDONJSA-N -1 0 361.358 -0.592 20 0 FBADRM Cn1c(=O)c2cc(C(=O)NC[C@H](NC(=O)[O-])C3CC3)cnc2n(C)c1=O ZINC000833939727 605861752 /nfs/dbraw/zinc/86/17/52/605861752.db2.gz DQAUGADULGHDJW-NSHDSACASA-N -1 0 361.358 -0.592 20 0 FBADRM Cn1c2[nH]c(COC(=O)CN(CC3CC3)C(=O)[O-])nc2c(=O)n(C)c1=O ZINC000833939737 605646241 /nfs/dbraw/zinc/64/62/41/605646241.db2.gz DWXWQXRKDMJFPF-UHFFFAOYSA-N -1 0 365.346 -0.607 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)[C@@H](CC(F)F)NC(=O)[O-])cnc2n(C)c1=O ZINC000833939928 606003864 /nfs/dbraw/zinc/00/38/64/606003864.db2.gz FIERQSCRZHOKCF-MRVPVSSYSA-N -1 0 371.300 -0.138 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)[C@H](CC(F)F)NC(=O)[O-])cnc2n(C)c1=O ZINC000833939929 606003766 /nfs/dbraw/zinc/00/37/66/606003766.db2.gz FIERQSCRZHOKCF-QMMMGPOBSA-N -1 0 371.300 -0.138 20 0 FBADRM Cn1c2[nH]c(COC(=O)C(C)(C)CNC(=O)[O-])nc2c(=O)n(C)c1=O ZINC000833939961 605648873 /nfs/dbraw/zinc/64/88/73/605648873.db2.gz GSVWLAABLNNGQZ-UHFFFAOYSA-N -1 0 353.335 -0.703 20 0 FBADRM Cn1c2[nH]c(CN3CCCC[C@@H]3CNC(=O)[O-])nc2c(=O)n(C)c1=O ZINC000833940011 605718569 /nfs/dbraw/zinc/71/85/69/605718569.db2.gz IUSRNFOZOMIFKZ-SECBINFHSA-N -1 0 350.379 -0.418 20 0 FBADRM Cn1c2[nH]c(CN3CCCC[C@H]3CNC(=O)[O-])nc2c(=O)n(C)c1=O ZINC000833940012 605718988 /nfs/dbraw/zinc/71/89/88/605718988.db2.gz IUSRNFOZOMIFKZ-VIFPVBQESA-N -1 0 350.379 -0.418 20 0 FBADRM Cn1c2[nH]c(COC(=O)CCC(C)(C)NC(=O)[O-])nc2c(=O)n(C)c1=O ZINC000833940013 605644479 /nfs/dbraw/zinc/64/44/79/605644479.db2.gz IVNILMVQQINJRC-UHFFFAOYSA-N -1 0 367.362 -0.170 20 0 FBADRM Cn1c2[nH]c(COC(=O)C[C@H]3CCCN3C(=O)[O-])nc2c(=O)n(C)c1=O ZINC000833940119 605646831 /nfs/dbraw/zinc/64/68/31/605646831.db2.gz IZLAKYFKHFNYMI-MRVPVSSYSA-N -1 0 365.346 -0.464 20 0 FBADRM Cn1c2[nH]c(COC(=O)C[C@@H]3CCCN3C(=O)[O-])nc2c(=O)n(C)c1=O ZINC000833940120 605646910 /nfs/dbraw/zinc/64/69/10/605646910.db2.gz IZLAKYFKHFNYMI-QMMMGPOBSA-N -1 0 365.346 -0.464 20 0 FBADRM Cn1c(=O)oc2c1cccc2C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000833940127 606100119 /nfs/dbraw/zinc/10/01/19/606100119.db2.gz JEEZNIHJXNGNHE-UHFFFAOYSA-N -1 0 362.342 -0.317 20 0 FBADRM Cn1c2[nH]c(COC(=O)[C@@H]3CCC[C@H]3NC(=O)[O-])nc2c(=O)n(C)c1=O ZINC000833940148 605644519 /nfs/dbraw/zinc/64/45/19/605644519.db2.gz JWWWONLNIFVROH-HTQZYQBOSA-N -1 0 365.346 -0.560 20 0 FBADRM Cn1c2[nH]c(COC(=O)[C@H]3CCC[C@H]3NC(=O)[O-])nc2c(=O)n(C)c1=O ZINC000833940149 605644702 /nfs/dbraw/zinc/64/47/02/605644702.db2.gz JWWWONLNIFVROH-JGVFFNPUSA-N -1 0 365.346 -0.560 20 0 FBADRM Cn1c2[nH]c(COC(=O)[C@@H]3CCC[C@@H]3NC(=O)[O-])nc2c(=O)n(C)c1=O ZINC000833940150 605644854 /nfs/dbraw/zinc/64/48/54/605644854.db2.gz JWWWONLNIFVROH-SFYZADRCSA-N -1 0 365.346 -0.560 20 0 FBADRM Cn1c2[nH]c(COC(=O)[C@H]3CCC[C@@H]3NC(=O)[O-])nc2c(=O)n(C)c1=O ZINC000833940151 605644688 /nfs/dbraw/zinc/64/46/88/605644688.db2.gz JWWWONLNIFVROH-YUMQZZPRSA-N -1 0 365.346 -0.560 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)NCC3CN(C(=O)[O-])C3)cnc2n(C)c1=O ZINC000833940187 605760637 /nfs/dbraw/zinc/76/06/37/605760637.db2.gz LEPAAEOPGPIANI-UHFFFAOYSA-N -1 0 362.346 -0.637 20 0 FBADRM Cn1c2[nH]c(COC(=O)C3(NC(=O)[O-])CCCC3)nc2c(=O)n(C)c1=O ZINC000833940213 605641958 /nfs/dbraw/zinc/64/19/58/605641958.db2.gz LRKQXECWYWILTC-UHFFFAOYSA-N -1 0 365.346 -0.416 20 0 FBADRM Cn1c(=O)cccc1C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000833940308 606100315 /nfs/dbraw/zinc/10/03/15/606100315.db2.gz LEVZJPPSUREJJN-LLVKDONJSA-N -1 0 350.375 -0.379 20 0 FBADRM Cn1c(=O)cccc1C(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000833940309 606100079 /nfs/dbraw/zinc/10/00/79/606100079.db2.gz LEVZJPPSUREJJN-NSHDSACASA-N -1 0 350.375 -0.379 20 0 FBADRM Cn1c(=O)ccn(CC(=O)N2CCC3(C2)CCN(C(=O)[O-])CC3)c1=O ZINC000833940331 605875031 /nfs/dbraw/zinc/87/50/31/605875031.db2.gz MIDCPNAREWTPIN-UHFFFAOYSA-N -1 0 350.375 -0.461 20 0 FBADRM Cn1c2ncn(CCN3CCN(C(=O)[O-])CC3(C)C)c2c(=O)n(C)c1=O ZINC000833940336 605339931 /nfs/dbraw/zinc/33/99/31/605339931.db2.gz MMPUBTZTHVEHON-UHFFFAOYSA-N -1 0 364.406 -0.492 20 0 FBADRM Cn1c2[nH]c(COC(=O)CC3CN(C(=O)[O-])C3)nc2c(=O)n(C)c1=O ZINC000833940344 605648681 /nfs/dbraw/zinc/64/86/81/605648681.db2.gz MVQUNIVDLNUUSF-UHFFFAOYSA-N -1 0 351.319 -0.997 20 0 FBADRM Cn1c2[nH]c(CN3CCN(C(=O)[O-])CC3(C)C)nc2c(=O)n(C)c1=O ZINC000833940350 605807539 /nfs/dbraw/zinc/80/75/39/605807539.db2.gz NDCORBCMAVHUQM-UHFFFAOYSA-N -1 0 350.379 -0.466 20 0 FBADRM Cn1c2ncn(CCC(=O)OCC(C)(C)NC(=O)[O-])c2c(=O)n(C)c1=O ZINC000833940353 605746712 /nfs/dbraw/zinc/74/67/12/605746712.db2.gz NFAFDYXEUKJMNA-UHFFFAOYSA-N -1 0 367.362 -0.587 20 0 FBADRM Cn1c2[nH]c(COC(=O)[C@H]3CCCCN3C(=O)[O-])nc2c(=O)n(C)c1=O ZINC000833940360 605642042 /nfs/dbraw/zinc/64/20/42/605642042.db2.gz NLTLHPNRZOFZDA-MRVPVSSYSA-N -1 0 365.346 -0.464 20 0 FBADRM Cn1c2[nH]c(COC(=O)[C@@H]3CCCCN3C(=O)[O-])nc2c(=O)n(C)c1=O ZINC000833940361 605641841 /nfs/dbraw/zinc/64/18/41/605641841.db2.gz NLTLHPNRZOFZDA-QMMMGPOBSA-N -1 0 365.346 -0.464 20 0 FBADRM Cn1c(=O)ccn(CC(=O)Nc2ccc(OCCNC(=O)[O-])cc2)c1=O ZINC000833940389 605342446 /nfs/dbraw/zinc/34/24/46/605342446.db2.gz OFDFIDXNVCSPJA-UHFFFAOYSA-N -1 0 362.342 -0.168 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NC[C@@H](NC(=O)[O-])C3CC3)nc2n(C)c1=O ZINC000833940402 605993458 /nfs/dbraw/zinc/99/34/58/605993458.db2.gz OXSYJLDCKAJNFC-LLVKDONJSA-N -1 0 361.358 -0.592 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NC[C@H](NC(=O)[O-])C3CC3)nc2n(C)c1=O ZINC000833940403 605993415 /nfs/dbraw/zinc/99/34/15/605993415.db2.gz OXSYJLDCKAJNFC-NSHDSACASA-N -1 0 361.358 -0.592 20 0 FBADRM Cn1c2[nH]c(CN(C3CC3)[C@H]3CCN(C(=O)[O-])C3)nc2c(=O)n(C)c1=O ZINC000833940404 605809017 /nfs/dbraw/zinc/80/90/17/605809017.db2.gz OYOXFNQITMUVBQ-JTQLQIEISA-N -1 0 362.390 -0.323 20 0 FBADRM Cn1c2[nH]c(CN(C3CC3)[C@@H]3CCN(C(=O)[O-])C3)nc2c(=O)n(C)c1=O ZINC000833940405 605809041 /nfs/dbraw/zinc/80/90/41/605809041.db2.gz OYOXFNQITMUVBQ-SNVBAGLBSA-N -1 0 362.390 -0.323 20 0 FBADRM Cn1c(CCNC(=O)CNC(=O)CNC(=O)[O-])nc2c1cccc2F ZINC000833940518 605379391 /nfs/dbraw/zinc/37/93/91/605379391.db2.gz ABTAYXCXJLHVTI-UHFFFAOYSA-N -1 0 351.338 -0.245 20 0 FBADRM Cn1c(=O)c2cc(C(=O)OCC(C)(C)NC(=O)[O-])cnc2n(C)c1=O ZINC000833940533 605746791 /nfs/dbraw/zinc/74/67/91/605746791.db2.gz PNTZXBDUXUWVSU-UHFFFAOYSA-N -1 0 350.331 -0.165 20 0 FBADRM Cn1c2ncn(CCOC(=O)CN(C(=O)[O-])C3CC3)c2c(=O)n(C)c1=O ZINC000833940623 605980542 /nfs/dbraw/zinc/98/05/42/605980542.db2.gz RPJGMKKWMNWUFI-UHFFFAOYSA-N -1 0 365.346 -0.881 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NC[C@H]3CCN(C(=O)[O-])C3)nc2n(C)c1=O ZINC000833940644 605536449 /nfs/dbraw/zinc/53/64/49/605536449.db2.gz SAMGCZUXTTZCAI-SECBINFHSA-N -1 0 361.358 -0.638 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NC[C@@H]3CCN(C(=O)[O-])C3)nc2n(C)c1=O ZINC000833940646 605535999 /nfs/dbraw/zinc/53/59/99/605535999.db2.gz SAMGCZUXTTZCAI-VIFPVBQESA-N -1 0 361.358 -0.638 20 0 FBADRM Cn1c2ccc(NC(=O)C(=O)NCC3CN(C(=O)[O-])C3)cc2n(C)c1=O ZINC000833940670 605780447 /nfs/dbraw/zinc/78/04/47/605780447.db2.gz SLJRHISCMUSWIQ-UHFFFAOYSA-N -1 0 361.358 -0.459 20 0 FBADRM Cn1c(=O)ccn(CC(=O)Nc2cnc3c(c2)C[C@H](NC(=O)[O-])CC3)c1=O ZINC000833940674 606097347 /nfs/dbraw/zinc/09/73/47/606097347.db2.gz SLSYLAIAPYQHKY-LLVKDONJSA-N -1 0 373.369 -0.294 20 0 FBADRM Cn1c(=O)ccn(CC(=O)Nc2cnc3c(c2)C[C@@H](NC(=O)[O-])CC3)c1=O ZINC000833940678 606097383 /nfs/dbraw/zinc/09/73/83/606097383.db2.gz SLSYLAIAPYQHKY-NSHDSACASA-N -1 0 373.369 -0.294 20 0 FBADRM Cn1c(CCNC(=O)[C@H](CC(N)=O)NC(=O)[O-])nc2cc(F)ccc21 ZINC000833940687 605758274 /nfs/dbraw/zinc/75/82/74/605758274.db2.gz DKLRBSUQCZSLCH-JTQLQIEISA-N -1 0 351.338 -0.117 20 0 FBADRM Cn1c(CCNC(=O)[C@@H](CC(N)=O)NC(=O)[O-])nc2cc(F)ccc21 ZINC000833940688 605758278 /nfs/dbraw/zinc/75/82/78/605758278.db2.gz DKLRBSUQCZSLCH-SNVBAGLBSA-N -1 0 351.338 -0.117 20 0 FBADRM Cn1c2[nH]c(COC(=O)CC(C)(C)NC(=O)[O-])nc2c(=O)n(C)c1=O ZINC000833940709 605644731 /nfs/dbraw/zinc/64/47/31/605644731.db2.gz TVYXXDLRPRAVDS-UHFFFAOYSA-N -1 0 353.335 -0.560 20 0 FBADRM Cn1c2ccc(S(=O)(=O)NCC3CN(C(=O)[O-])C3)cc2n(C)c1=O ZINC000833940714 605726031 /nfs/dbraw/zinc/72/60/31/605726031.db2.gz TZDVLLGWZLTLDC-UHFFFAOYSA-N -1 0 354.388 -0.235 20 0 FBADRM Cn1c2ncn(CC(=O)OCC(C)(C)NC(=O)[O-])c2c(=O)n(C)c1=O ZINC000833940825 605743498 /nfs/dbraw/zinc/74/34/98/605743498.db2.gz UJLNPDNHZKFRJO-UHFFFAOYSA-N -1 0 353.335 -0.977 20 0 FBADRM Cn1c2[nH]c(COC(=O)[C@]3(F)CCN(C(=O)[O-])C3)nc2c(=O)n(C)c1=O ZINC000833940827 605646813 /nfs/dbraw/zinc/64/68/13/605646813.db2.gz UMESECKWZAZSAO-AWEZNQCLSA-N -1 0 369.309 -0.905 20 0 FBADRM Cn1c2[nH]c(COC(=O)[C@@]3(F)CCN(C(=O)[O-])C3)nc2c(=O)n(C)c1=O ZINC000833940828 605647452 /nfs/dbraw/zinc/64/74/52/605647452.db2.gz UMESECKWZAZSAO-CQSZACIVSA-N -1 0 369.309 -0.905 20 0 FBADRM Cn1c(C(=O)OC2CCN(C(=O)[O-])CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000833940836 605414997 /nfs/dbraw/zinc/41/49/97/605414997.db2.gz URBAPXMMAHCGNJ-UHFFFAOYSA-N -1 0 364.358 -0.125 20 0 FBADRM Cn1c(=O)c2cc(C(=O)NC[C@H]3CCN(C(=O)[O-])C3)cnc2n(C)c1=O ZINC000833940861 605540436 /nfs/dbraw/zinc/54/04/36/605540436.db2.gz VTYICIGEFVTGPI-SECBINFHSA-N -1 0 361.358 -0.638 20 0 FBADRM Cn1c(=O)c2cc(C(=O)NC[C@@H]3CCN(C(=O)[O-])C3)cnc2n(C)c1=O ZINC000833940862 605540554 /nfs/dbraw/zinc/54/05/54/605540554.db2.gz VTYICIGEFVTGPI-VIFPVBQESA-N -1 0 361.358 -0.638 20 0 FBADRM Cn1c2[nH]c(COC(=O)[C@@H]3CCCN(C(=O)[O-])C3)nc2c(=O)n(C)c1=O ZINC000833940867 605605656 /nfs/dbraw/zinc/60/56/56/605605656.db2.gz WCAJDAVEGQGWCM-MRVPVSSYSA-N -1 0 365.346 -0.607 20 0 FBADRM Cn1c2[nH]c(COC(=O)[C@H]3CCCN(C(=O)[O-])C3)nc2c(=O)n(C)c1=O ZINC000833940868 605605891 /nfs/dbraw/zinc/60/58/91/605605891.db2.gz WCAJDAVEGQGWCM-QMMMGPOBSA-N -1 0 365.346 -0.607 20 0 FBADRM Cn1c(=O)ccn(CC(=O)Nc2cnc3c(c2)CN(C(=O)[O-])CC3)c1=O ZINC000833940871 605881183 /nfs/dbraw/zinc/88/11/83/605881183.db2.gz WIYPBQXZHQDKJZ-UHFFFAOYSA-N -1 0 359.342 -0.383 20 0 FBADRM Cn1c2[nH]c(COC(=O)C3CCN(C(=O)[O-])CC3)nc2c(=O)n(C)c1=O ZINC000833940878 605618105 /nfs/dbraw/zinc/61/81/05/605618105.db2.gz WOEMAXFSVGBHSI-UHFFFAOYSA-N -1 0 365.346 -0.607 20 0 FBADRM Cn1c2[nH]c(COC(=O)[C@@H]3CC[C@@H](NC(=O)[O-])C3)nc2c(=O)n(C)c1=O ZINC000833940884 605647014 /nfs/dbraw/zinc/64/70/14/605647014.db2.gz WUJCCXBTEPVBPC-HTQZYQBOSA-N -1 0 365.346 -0.560 20 0 FBADRM Cn1c2[nH]c(COC(=O)[C@H]3CC[C@@H](NC(=O)[O-])C3)nc2c(=O)n(C)c1=O ZINC000833940885 605647350 /nfs/dbraw/zinc/64/73/50/605647350.db2.gz WUJCCXBTEPVBPC-JGVFFNPUSA-N -1 0 365.346 -0.560 20 0 FBADRM Cn1c2[nH]c(COC(=O)[C@@H]3CC[C@H](NC(=O)[O-])C3)nc2c(=O)n(C)c1=O ZINC000833940886 605647324 /nfs/dbraw/zinc/64/73/24/605647324.db2.gz WUJCCXBTEPVBPC-SFYZADRCSA-N -1 0 365.346 -0.560 20 0 FBADRM Cn1c2[nH]c(COC(=O)[C@H]3CC[C@H](NC(=O)[O-])C3)nc2c(=O)n(C)c1=O ZINC000833940887 605646856 /nfs/dbraw/zinc/64/68/56/605646856.db2.gz WUJCCXBTEPVBPC-YUMQZZPRSA-N -1 0 365.346 -0.560 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)OCC(C)(C)NC(=O)[O-])nc2n(C)c1=O ZINC000833940893 605746878 /nfs/dbraw/zinc/74/68/78/605746878.db2.gz WXWJSJSNLNTANB-UHFFFAOYSA-N -1 0 350.331 -0.165 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)OC3CCN(C(=O)[O-])CC3)nc2n(C)c1=O ZINC000833941096 605735123 /nfs/dbraw/zinc/73/51/23/605735123.db2.gz YGFSEOGBSVTMBE-UHFFFAOYSA-N -1 0 362.342 -0.069 20 0 FBADRM Cn1c2[nH]c(COC(=O)[C@@H]3CCN(C(=O)[O-])C3)nc2c(=O)n(C)c1=O ZINC000833941112 605644768 /nfs/dbraw/zinc/64/47/68/605644768.db2.gz YRZGZFQCZBNDKI-SSDOTTSWSA-N -1 0 351.319 -0.997 20 0 FBADRM Cn1c2[nH]c(COC(=O)[C@H]3CCN(C(=O)[O-])C3)nc2c(=O)n(C)c1=O ZINC000833941114 605644723 /nfs/dbraw/zinc/64/47/23/605644723.db2.gz YRZGZFQCZBNDKI-ZETCQYMHSA-N -1 0 351.319 -0.997 20 0 FBADRM Cn1c(=O)ccn(CC(=O)N2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@@H]3C2)c1=O ZINC000833941167 605468521 /nfs/dbraw/zinc/46/85/21/605468521.db2.gz ZOJCFVPNRKXIPP-QJPTWQEYSA-N -1 0 350.375 -0.558 20 0 FBADRM Cn1c(=O)ccn(CC(=O)N2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@H]3C2)c1=O ZINC000833941168 605468703 /nfs/dbraw/zinc/46/87/03/605468703.db2.gz ZOJCFVPNRKXIPP-SDDRHHMPSA-N -1 0 350.375 -0.558 20 0 FBADRM Cn1c(=O)ccn(CC(=O)N2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@H]3C2)c1=O ZINC000833941169 605468603 /nfs/dbraw/zinc/46/86/03/605468603.db2.gz ZOJCFVPNRKXIPP-SRVKXCTJSA-N -1 0 350.375 -0.558 20 0 FBADRM Cn1c(=O)ccn(CC(=O)N2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@@H]3C2)c1=O ZINC000833941170 605468567 /nfs/dbraw/zinc/46/85/67/605468567.db2.gz ZOJCFVPNRKXIPP-TUAOUCFPSA-N -1 0 350.375 -0.558 20 0 FBADRM Cn1c(=O)c2cc(NC(=O)c3cnc(NC(=O)[O-])cn3)cnc2n(C)c1=O ZINC000833941172 605999932 /nfs/dbraw/zinc/99/99/32/605999932.db2.gz ZPSAYGYKEJFHEA-UHFFFAOYSA-N -1 0 371.313 -0.236 20 0 FBADRM Cn1c2[nH]c(COC(=O)[C@@H]3CCCN3C(=O)[O-])nc2c(=O)n(C)c1=O ZINC000833941184 605595884 /nfs/dbraw/zinc/59/58/84/605595884.db2.gz ZYLDEGCOIPBVAE-ZETCQYMHSA-N -1 0 351.319 -0.854 20 0 FBADRM Cn1c(CCNC(=O)[C@H](CC(N)=O)NC(=O)[O-])nc2ccc(F)cc21 ZINC000833941224 605758337 /nfs/dbraw/zinc/75/83/37/605758337.db2.gz JMAXACURPRBOGV-JTQLQIEISA-N -1 0 351.338 -0.117 20 0 FBADRM Cn1c(CCNC(=O)[C@@H](CC(N)=O)NC(=O)[O-])nc2ccc(F)cc21 ZINC000833941225 605758369 /nfs/dbraw/zinc/75/83/69/605758369.db2.gz JMAXACURPRBOGV-SNVBAGLBSA-N -1 0 351.338 -0.117 20 0 FBADRM Cn1c(=O)cc(COC(=O)[C@H]2CC23CCN(C(=O)[O-])CC3)n(C)c1=O ZINC000833941508 605876925 /nfs/dbraw/zinc/87/69/25/605876925.db2.gz AHOVTTQEQULZHD-LLVKDONJSA-N -1 0 351.359 -0.093 20 0 FBADRM Cn1c(=O)cc(COC(=O)[C@@H]2CC23CCN(C(=O)[O-])CC3)n(C)c1=O ZINC000833941509 605876974 /nfs/dbraw/zinc/87/69/74/605876974.db2.gz AHOVTTQEQULZHD-NSHDSACASA-N -1 0 351.359 -0.093 20 0 FBADRM Cn1c(COC(=O)CN2CCN(C(=O)[O-])CC2=O)nnc1C1CCC1 ZINC000833941568 606007853 /nfs/dbraw/zinc/00/78/53/606007853.db2.gz BYKILTAUAAYSQI-UHFFFAOYSA-N -1 0 351.363 -0.052 20 0 FBADRM Cn1c(=O)cc(CS(=O)(=O)CC2CCN(C(=O)[O-])CC2)n(C)c1=O ZINC000833941583 605359553 /nfs/dbraw/zinc/35/95/53/605359553.db2.gz CLSGSFGBEMSSQZ-UHFFFAOYSA-N -1 0 359.404 -0.611 20 0 FBADRM Cn1c(=O)cc(COC(=O)C2(CNC(=O)[O-])CCOCC2)n(C)c1=O ZINC000833941735 605949672 /nfs/dbraw/zinc/94/96/72/605949672.db2.gz FDRWLCQJKLPASN-UHFFFAOYSA-N -1 0 355.347 -0.808 20 0 FBADRM Cn1c(N)c(C(=O)CSCC2CCN(C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000833942042 605408043 /nfs/dbraw/zinc/40/80/43/605408043.db2.gz LHRLVSSNZKCEJJ-UHFFFAOYSA-N -1 0 370.431 -0.028 20 0 FBADRM Cn1c(CCNC(=O)[C@@H](CC(N)=O)NC(=O)[O-])nc2c1cccc2F ZINC000833942091 605767417 /nfs/dbraw/zinc/76/74/17/605767417.db2.gz UHFSFMNTHSYREA-SECBINFHSA-N -1 0 351.338 -0.117 20 0 FBADRM Cn1c(CCNC(=O)[C@H](CC(N)=O)NC(=O)[O-])nc2c1cccc2F ZINC000833942093 605767121 /nfs/dbraw/zinc/76/71/21/605767121.db2.gz UHFSFMNTHSYREA-VIFPVBQESA-N -1 0 351.338 -0.117 20 0 FBADRM Cn1c(CCNC(=O)CNC(=O)CNC(=O)[O-])nc2cc(F)ccc21 ZINC000833942185 605379623 /nfs/dbraw/zinc/37/96/23/605379623.db2.gz WMKZJAXNCXHPCL-UHFFFAOYSA-N -1 0 351.338 -0.245 20 0 FBADRM Cn1c(CCNC(=O)CNC(=O)CNC(=O)[O-])nc2ccc(F)cc21 ZINC000833942367 605379907 /nfs/dbraw/zinc/37/99/07/605379907.db2.gz ZCBKSHPNIOGFBF-UHFFFAOYSA-N -1 0 351.338 -0.245 20 0 FBADRM Cn1c(N)c(C(=O)CN(C2CC2)[C@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000833942476 605774861 /nfs/dbraw/zinc/77/48/61/605774861.db2.gz UIBXOEBHJXZJDB-JTQLQIEISA-N -1 0 365.390 -0.934 20 0 FBADRM Cn1c(N)c(C(=O)CN(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000833942477 605774497 /nfs/dbraw/zinc/77/44/97/605774497.db2.gz UIBXOEBHJXZJDB-SNVBAGLBSA-N -1 0 365.390 -0.934 20 0 FBADRM Cn1cc(C(=O)Nc2cnc3c(c2)CN(C(=O)[O-])CC3)c(=O)n(C)c1=O ZINC000833942759 605878461 /nfs/dbraw/zinc/87/84/61/605878461.db2.gz BIRGMIANSWKLOA-UHFFFAOYSA-N -1 0 359.342 -0.233 20 0 FBADRM Cn1cc(C(=O)N2CCC3(C2)CCN(C(=O)[O-])CC3)c(=O)n(C)c1=O ZINC000833942845 605872724 /nfs/dbraw/zinc/87/27/24/605872724.db2.gz AJSQLJZLCDTVRC-UHFFFAOYSA-N -1 0 350.375 -0.310 20 0 FBADRM Cn1cc(C(=O)C[C@H]2CCCN2C(=O)[C@@H](CC(N)=O)NC(=O)[O-])cn1 ZINC000833943099 605685696 /nfs/dbraw/zinc/68/56/96/605685696.db2.gz CSXULLSWYMDKOW-GHMZBOCLSA-N -1 0 351.363 -0.505 20 0 FBADRM Cn1cc(C(=O)C[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[O-])cn1 ZINC000833943103 605685561 /nfs/dbraw/zinc/68/55/61/605685561.db2.gz CSXULLSWYMDKOW-MNOVXSKESA-N -1 0 351.363 -0.505 20 0 FBADRM Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[O-])cn1 ZINC000833943106 605685795 /nfs/dbraw/zinc/68/57/95/605685795.db2.gz CSXULLSWYMDKOW-QWRGUYRKSA-N -1 0 351.363 -0.505 20 0 FBADRM Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)[C@@H](CC(N)=O)NC(=O)[O-])cn1 ZINC000833943108 605685511 /nfs/dbraw/zinc/68/55/11/605685511.db2.gz CSXULLSWYMDKOW-WDEREUQCSA-N -1 0 351.363 -0.505 20 0 FBADRM Cn1cc(C(=O)Nc2ccc(OCCNC(=O)[O-])cc2)c(=O)n(C)c1=O ZINC000833943313 605345295 /nfs/dbraw/zinc/34/52/95/605345295.db2.gz HVBXWLJHKXTVHJ-UHFFFAOYSA-N -1 0 362.342 -0.017 20 0 FBADRM CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)CNC(=O)CNC(=O)[O-])C1 ZINC000833943488 605379136 /nfs/dbraw/zinc/37/91/36/605379136.db2.gz JICSKIRBFWYQAG-MRVPVSSYSA-N -1 0 356.408 -0.806 20 0 FBADRM CN1C(=S)N=NC1[C@H]1CCCN(C(=O)CNC(=O)CNC(=O)[O-])C1 ZINC000833943489 605379186 /nfs/dbraw/zinc/37/91/86/605379186.db2.gz JICSKIRBFWYQAG-QMMMGPOBSA-N -1 0 356.408 -0.806 20 0 FBADRM CN1C(=S)N=NC1C1CCN(C(=O)CNC(=O)CNC(=O)[O-])CC1 ZINC000833943530 605379414 /nfs/dbraw/zinc/37/94/14/605379414.db2.gz LMGROHIVHYNSHA-UHFFFAOYSA-N -1 0 356.408 -0.806 20 0 FBADRM Cn1cc(C(=O)Nc2cnc3c(c2)C[C@@H](NC(=O)[O-])CC3)c(=O)n(C)c1=O ZINC000833943610 606095875 /nfs/dbraw/zinc/09/58/75/606095875.db2.gz NAPYTLIXBPFILR-JTQLQIEISA-N -1 0 373.369 -0.144 20 0 FBADRM Cn1cc(C(=O)Nc2cnc3c(c2)C[C@H](NC(=O)[O-])CC3)c(=O)n(C)c1=O ZINC000833943611 606095848 /nfs/dbraw/zinc/09/58/48/606095848.db2.gz NAPYTLIXBPFILR-SNVBAGLBSA-N -1 0 373.369 -0.144 20 0 FBADRM CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])C1 ZINC000833943975 605669030 /nfs/dbraw/zinc/66/90/30/605669030.db2.gz RAQLLOLTRXSABR-HTQZYQBOSA-N -1 0 356.408 -0.679 20 0 FBADRM CN1C(=S)N=NC1[C@H]1CCCN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])C1 ZINC000833943976 605669051 /nfs/dbraw/zinc/66/90/51/605669051.db2.gz RAQLLOLTRXSABR-JGVFFNPUSA-N -1 0 356.408 -0.679 20 0 FBADRM CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])C1 ZINC000833943978 605669060 /nfs/dbraw/zinc/66/90/60/605669060.db2.gz RAQLLOLTRXSABR-SFYZADRCSA-N -1 0 356.408 -0.679 20 0 FBADRM CN1C(=S)N=NC1[C@H]1CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])C1 ZINC000833943980 605669180 /nfs/dbraw/zinc/66/91/80/605669180.db2.gz RAQLLOLTRXSABR-YUMQZZPRSA-N -1 0 356.408 -0.679 20 0 FBADRM CN1C(=S)N=NC1C1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])CC1 ZINC000833944731 605756187 /nfs/dbraw/zinc/75/61/87/605756187.db2.gz XGYNOQPPTMQQSI-MRVPVSSYSA-N -1 0 356.408 -0.679 20 0 FBADRM CN1C(=S)N=NC1C1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])CC1 ZINC000833944732 605756426 /nfs/dbraw/zinc/75/64/26/605756426.db2.gz XGYNOQPPTMQQSI-QMMMGPOBSA-N -1 0 356.408 -0.679 20 0 FBADRM Cn1cc(Br)cc(NC(=O)[C@H](CC(N)=O)NC(=O)[O-])c1=O ZINC000833944891 605499982 /nfs/dbraw/zinc/49/99/82/605499982.db2.gz JPCNIIYPOMWISJ-LURJTMIESA-N -1 0 361.152 -0.402 20 0 FBADRM Cn1cc(Br)cc(NC(=O)[C@@H](CC(N)=O)NC(=O)[O-])c1=O ZINC000833944892 605499838 /nfs/dbraw/zinc/49/98/38/605499838.db2.gz JPCNIIYPOMWISJ-ZCFIWIBFSA-N -1 0 361.152 -0.402 20 0 FBADRM Cn1cc(-c2nc(COC(=O)CNC(=O)CNC(=O)[O-])cs2)cn1 ZINC000833944994 605381718 /nfs/dbraw/zinc/38/17/18/605381718.db2.gz LIGWSGKLZNZHST-UHFFFAOYSA-N -1 0 353.360 -0.029 20 0 FBADRM Cn1cc(-c2nc([C@@H]3COCCN3C(=O)NCCNC(=O)[O-])no2)cn1 ZINC000833945225 605819484 /nfs/dbraw/zinc/81/94/84/605819484.db2.gz OCXZXUZMIKQKNO-JTQLQIEISA-N -1 0 365.350 -0.179 20 0 FBADRM Cn1cc(-c2nc([C@H]3COCCN3C(=O)NCCNC(=O)[O-])no2)cn1 ZINC000833945226 605819505 /nfs/dbraw/zinc/81/95/05/605819505.db2.gz OCXZXUZMIKQKNO-SNVBAGLBSA-N -1 0 365.350 -0.179 20 0 FBADRM Cn1cc(Br)cc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)c1=O ZINC000833945325 605940728 /nfs/dbraw/zinc/94/07/28/605940728.db2.gz ORMBTRNGSSUBHS-UHFFFAOYSA-N -1 0 373.163 -0.435 20 0 FBADRM Cn1cc(Br)cc(NC(=O)CNC(=O)CNC(=O)[O-])c1=O ZINC000833945377 605388084 /nfs/dbraw/zinc/38/80/84/605388084.db2.gz PYJZCTQZVRLILR-UHFFFAOYSA-N -1 0 361.152 -0.530 20 0 FBADRM Cn1cc(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@@H]3C2)c(=O)n(C)c1=O ZINC000833945433 605480691 /nfs/dbraw/zinc/48/06/91/605480691.db2.gz RLVJVHJHRFCEBR-HOSYDEDBSA-N -1 0 350.375 -0.408 20 0 FBADRM Cn1cc(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@H]3C2)c(=O)n(C)c1=O ZINC000833945434 605480559 /nfs/dbraw/zinc/48/05/59/605480559.db2.gz RLVJVHJHRFCEBR-JBLDHEPKSA-N -1 0 350.375 -0.408 20 0 FBADRM Cn1cc(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@H]3C2)c(=O)n(C)c1=O ZINC000833945435 605480481 /nfs/dbraw/zinc/48/04/81/605480481.db2.gz RLVJVHJHRFCEBR-NHCYSSNCSA-N -1 0 350.375 -0.408 20 0 FBADRM Cn1cc(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@@H]3C2)c(=O)n(C)c1=O ZINC000833945436 605480543 /nfs/dbraw/zinc/48/05/43/605480543.db2.gz RLVJVHJHRFCEBR-UMNHJUIQSA-N -1 0 350.375 -0.408 20 0 FBADRM Cn1cc(C(=O)C[C@H]2CCCN2C(=O)CNC(=O)CNC(=O)[O-])cn1 ZINC000833945502 605391649 /nfs/dbraw/zinc/39/16/49/605391649.db2.gz SOKCPUPZYJFGQG-LLVKDONJSA-N -1 0 351.363 -0.632 20 0 FBADRM Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)CNC(=O)CNC(=O)[O-])cn1 ZINC000833945503 605391458 /nfs/dbraw/zinc/39/14/58/605391458.db2.gz SOKCPUPZYJFGQG-NSHDSACASA-N -1 0 351.363 -0.632 20 0 FBADRM Cn1cc(CNC(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)nn1 ZINC000833945759 606011830 /nfs/dbraw/zinc/01/18/30/606011830.db2.gz DAUSAEYNYSWPFP-JTQLQIEISA-N -1 0 353.383 -0.880 20 0 FBADRM Cn1cc(CNC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)nn1 ZINC000833945761 606012068 /nfs/dbraw/zinc/01/20/68/606012068.db2.gz DAUSAEYNYSWPFP-SNVBAGLBSA-N -1 0 353.383 -0.880 20 0 FBADRM Cn1cc([C@@H](CO)NC(=O)NCCCN2CCN(C(=O)[O-])CC2)cn1 ZINC000833946653 605367691 /nfs/dbraw/zinc/36/76/91/605367691.db2.gz MZZPQBNHXCWKCX-CYBMUJFWSA-N -1 0 354.411 -0.562 20 0 FBADRM Cn1cc([C@H](CO)NC(=O)NCCCN2CCN(C(=O)[O-])CC2)cn1 ZINC000833946654 605368240 /nfs/dbraw/zinc/36/82/40/605368240.db2.gz MZZPQBNHXCWKCX-ZDUSSCGKSA-N -1 0 354.411 -0.562 20 0 FBADRM Cn1cc([C@@H](CO)NC(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)cn1 ZINC000833948158 605437496 /nfs/dbraw/zinc/43/74/96/605437496.db2.gz WQDCAYNZDUJBFI-CYBMUJFWSA-N -1 0 363.378 -0.210 20 0 FBADRM Cn1cc([C@H](CO)NC(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)cn1 ZINC000833948163 605437978 /nfs/dbraw/zinc/43/79/78/605437978.db2.gz WQDCAYNZDUJBFI-ZDUSSCGKSA-N -1 0 363.378 -0.210 20 0 FBADRM Cn1cc(/C=C/C(=O)NC[C@@]2(C)CCCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000833948205 605575301 /nfs/dbraw/zinc/57/53/01/605575301.db2.gz VPDZHXOXYZZALB-FUTAKVPZSA-N -1 0 364.402 -0.007 20 0 FBADRM Cn1cc(/C=C\C(=O)NC[C@@]2(C)CCCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000833948213 605575492 /nfs/dbraw/zinc/57/54/92/605575492.db2.gz VPDZHXOXYZZALB-KEGWNNHHSA-N -1 0 364.402 -0.007 20 0 FBADRM Cn1cc(/C=C\C(=O)NC[C@]2(C)CCCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000833948215 605575679 /nfs/dbraw/zinc/57/56/79/605575679.db2.gz VPDZHXOXYZZALB-OSJSJHBBSA-N -1 0 364.402 -0.007 20 0 FBADRM Cn1cc(/C=C/C(=O)NC[C@]2(C)CCCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000833948217 605575706 /nfs/dbraw/zinc/57/57/06/605575706.db2.gz VPDZHXOXYZZALB-RTRPANQVSA-N -1 0 364.402 -0.007 20 0 FBADRM Cn1cc(/C=C/c2nc([C@@H]3COCCN3C(=O)[O-])no2)c(=O)n(C)c1=O ZINC000833948527 605711837 /nfs/dbraw/zinc/71/18/37/605711837.db2.gz YJEPKGRNOHHRAG-FSIBCCDJSA-N -1 0 363.330 -0.311 20 0 FBADRM Cn1cc(/C=C/c2nc([C@H]3COCCN3C(=O)[O-])no2)c(=O)n(C)c1=O ZINC000833948529 605712016 /nfs/dbraw/zinc/71/20/16/605712016.db2.gz YJEPKGRNOHHRAG-HMDXOVGESA-N -1 0 363.330 -0.311 20 0 FBADRM Cn1cc(/C=C\c2nc([C@H]3COCCN3C(=O)[O-])no2)c(=O)n(C)c1=O ZINC000833948531 605712287 /nfs/dbraw/zinc/71/22/87/605712287.db2.gz YJEPKGRNOHHRAG-UMBAGQNISA-N -1 0 363.330 -0.311 20 0 FBADRM Cn1cc(/C=C\c2nc([C@@H]3COCCN3C(=O)[O-])no2)c(=O)n(C)c1=O ZINC000833948532 605712042 /nfs/dbraw/zinc/71/20/42/605712042.db2.gz YJEPKGRNOHHRAG-XOULXFPDSA-N -1 0 363.330 -0.311 20 0 FBADRM Cn1cc(/C=C\C(=O)NCC2(C)CCN(C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000833948549 605575383 /nfs/dbraw/zinc/57/53/83/605575383.db2.gz YTGIIQYMQOOUFS-PLNGDYQASA-N -1 0 364.402 -0.007 20 0 FBADRM Cn1cc(/C=C/C(=O)NCC2(C)CCN(C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000833948550 605575738 /nfs/dbraw/zinc/57/57/38/605575738.db2.gz YTGIIQYMQOOUFS-SNAWJCMRSA-N -1 0 364.402 -0.007 20 0 FBADRM Cn1cc(CNC(=O)C(=O)Nc2cccc(OCCNC(=O)[O-])c2)nn1 ZINC000833948570 606012805 /nfs/dbraw/zinc/01/28/05/606012805.db2.gz HTYQOILZDRBJIS-UHFFFAOYSA-N -1 0 362.346 -0.284 20 0 FBADRM Cn1cc(N2CC[C@@H](OC(=O)CCOC3CN(C(=O)[O-])C3)C2=O)cn1 ZINC000833948641 606102037 /nfs/dbraw/zinc/10/20/37/606102037.db2.gz BRSCPFYKIYRDTE-GFCCVEGCSA-N -1 0 352.347 -0.163 20 0 FBADRM Cn1cc(N2CC[C@H](OC(=O)CCOC3CN(C(=O)[O-])C3)C2=O)cn1 ZINC000833948645 606102223 /nfs/dbraw/zinc/10/22/23/606102223.db2.gz BRSCPFYKIYRDTE-LBPRGKRZSA-N -1 0 352.347 -0.163 20 0 FBADRM Cn1cc(CNC(=O)C(=O)Nc2ccc(OCCNC(=O)[O-])cc2)nn1 ZINC000833948745 605581782 /nfs/dbraw/zinc/58/17/82/605581782.db2.gz JREVXAIYJHQSEV-UHFFFAOYSA-N -1 0 362.346 -0.284 20 0 FBADRM Cn1cc(N2CCN(C(=O)NC[C@@H](NC(=O)[O-])C3CC3)CC2=O)cn1 ZINC000833948760 605845602 /nfs/dbraw/zinc/84/56/02/605845602.db2.gz CYXWJEWKTRHQOM-GFCCVEGCSA-N -1 0 350.379 -0.176 20 0 FBADRM Cn1cc(N2CCN(C(=O)NC[C@H](NC(=O)[O-])C3CC3)CC2=O)cn1 ZINC000833948762 605845703 /nfs/dbraw/zinc/84/57/03/605845703.db2.gz CYXWJEWKTRHQOM-LBPRGKRZSA-N -1 0 350.379 -0.176 20 0 FBADRM Cn1cc(CNC(=O)C(=O)Nc2cnc3c(c2)CN(C(=O)[O-])CC3)nn1 ZINC000833949033 606013106 /nfs/dbraw/zinc/01/31/06/606013106.db2.gz LIOJKCCTTZPFLF-UHFFFAOYSA-N -1 0 359.346 -0.499 20 0 FBADRM Cn1cc(CN2CCN(C(=O)CCOC3CN(C(=O)[O-])C3)CC2)cn1 ZINC000833949103 606090580 /nfs/dbraw/zinc/09/05/80/606090580.db2.gz MRXQSGBUXCGACA-UHFFFAOYSA-N -1 0 351.407 -0.167 20 0 FBADRM Cn1cc(N2CCC[C@H](ON=C(N)[C@H]3COCCN3C(=O)[O-])C2=O)cn1 ZINC000833949160 605924473 /nfs/dbraw/zinc/92/44/73/605924473.db2.gz HHOKNESXKNFHKM-NEPJUHHUSA-N -1 0 366.378 -0.207 20 0 FBADRM Cn1cc(N2CCC[C@@H](ON=C(N)[C@@H]3COCCN3C(=O)[O-])C2=O)cn1 ZINC000833949161 605924372 /nfs/dbraw/zinc/92/43/72/605924372.db2.gz HHOKNESXKNFHKM-NWDGAFQWSA-N -1 0 366.378 -0.207 20 0 FBADRM Cn1cc(N2CCC[C@H](ON=C(N)[C@@H]3COCCN3C(=O)[O-])C2=O)cn1 ZINC000833949162 605924174 /nfs/dbraw/zinc/92/41/74/605924174.db2.gz HHOKNESXKNFHKM-RYUDHWBXSA-N -1 0 366.378 -0.207 20 0 FBADRM Cn1cc(N2CCC[C@@H](ON=C(N)[C@H]3COCCN3C(=O)[O-])C2=O)cn1 ZINC000833949163 605924237 /nfs/dbraw/zinc/92/42/37/605924237.db2.gz HHOKNESXKNFHKM-VXGBXAGGSA-N -1 0 366.378 -0.207 20 0 FBADRM Cn1cc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)cc(Br)c1=O ZINC000833949378 605943012 /nfs/dbraw/zinc/94/30/12/605943012.db2.gz HZZHKHUUWNKWJF-UHFFFAOYSA-N -1 0 373.163 -0.435 20 0 FBADRM Cn1cc(NC(=O)C(=O)NCCNC(=O)[O-])cc(Br)c1=O ZINC000833949381 605930756 /nfs/dbraw/zinc/93/07/56/605930756.db2.gz IAIQSDACDRZIHU-UHFFFAOYSA-N -1 0 361.152 -0.530 20 0 FBADRM Cn1cc(NC(=O)[C@@H](CC(N)=O)NC(=O)[O-])cc(Br)c1=O ZINC000833949487 605669098 /nfs/dbraw/zinc/66/90/98/605669098.db2.gz KDANUEBPVATSPE-SSDOTTSWSA-N -1 0 361.152 -0.402 20 0 FBADRM Cn1cc(NC(=O)[C@H](CC(N)=O)NC(=O)[O-])cc(Br)c1=O ZINC000833949489 605668888 /nfs/dbraw/zinc/66/88/88/605668888.db2.gz KDANUEBPVATSPE-ZETCQYMHSA-N -1 0 361.152 -0.402 20 0 FBADRM Cn1cc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)c(C(F)(F)F)n1 ZINC000833949575 605718272 /nfs/dbraw/zinc/71/82/72/605718272.db2.gz UVFARBZNDWCZIY-UHFFFAOYSA-N -1 0 363.296 -0.123 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)CCOC3CN(C(=O)[O-])C3)C2=O)cn1 ZINC000833949898 606086575 /nfs/dbraw/zinc/08/65/75/606086575.db2.gz LQJQWHSNTJWMDT-GFCCVEGCSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)CCOC3CN(C(=O)[O-])C3)C2=O)cn1 ZINC000833949907 606086630 /nfs/dbraw/zinc/08/66/30/606086630.db2.gz LQJQWHSNTJWMDT-LBPRGKRZSA-N -1 0 351.363 -0.590 20 0 FBADRM Cn1cc(S(=O)(=O)NCc2nc([C@H]3COCCN3C(=O)[O-])no2)cn1 ZINC000833949908 605711951 /nfs/dbraw/zinc/71/19/51/605711951.db2.gz CFGZDHRIDBAROO-SECBINFHSA-N -1 0 372.363 -0.667 20 0 FBADRM Cn1cc(CS(=O)(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])nn1 ZINC000833949918 605624874 /nfs/dbraw/zinc/62/48/74/605624874.db2.gz LTBRIBIUTZRHAX-KBPBESRZSA-N -1 0 368.415 -0.030 20 0 FBADRM Cn1cc(CS(=O)(=O)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])nn1 ZINC000833949920 605624872 /nfs/dbraw/zinc/62/48/72/605624872.db2.gz LTBRIBIUTZRHAX-UONOGXRCSA-N -1 0 368.415 -0.030 20 0 FBADRM Cn1cc(S(=O)(=O)NCc2nc([C@@H]3COCCN3C(=O)[O-])no2)cn1 ZINC000833949921 605712001 /nfs/dbraw/zinc/71/20/01/605712001.db2.gz CFGZDHRIDBAROO-VIFPVBQESA-N -1 0 372.363 -0.667 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)[C@@]2(C)CCCN2C(=O)[O-])cn1 ZINC000833950372 605727166 /nfs/dbraw/zinc/72/71/66/605727166.db2.gz HKESLJXJGSEUMC-CYBMUJFWSA-N -1 0 360.392 -0.226 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)[C@]2(C)CCCN2C(=O)[O-])cn1 ZINC000833950375 605727415 /nfs/dbraw/zinc/72/74/15/605727415.db2.gz HKESLJXJGSEUMC-ZDUSSCGKSA-N -1 0 360.392 -0.226 20 0 FBADRM Cn1cc(S(=O)(=O)NCCN(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)cn1 ZINC000833950405 605777278 /nfs/dbraw/zinc/77/72/78/605777278.db2.gz IDYJBDOQDKQQSU-GFCCVEGCSA-N -1 0 357.436 -0.085 20 0 FBADRM Cn1cc(S(=O)(=O)NCCN(C2CC2)[C@H]2CCN(C(=O)[O-])C2)cn1 ZINC000833950406 605776913 /nfs/dbraw/zinc/77/69/13/605776913.db2.gz IDYJBDOQDKQQSU-LBPRGKRZSA-N -1 0 357.436 -0.085 20 0 FBADRM Cn1cc(N2CC[C@@H](ON=C(N)[C@H]3COCCN3C(=O)[O-])C2=O)cn1 ZINC000833950408 605733361 /nfs/dbraw/zinc/73/33/61/605733361.db2.gz NAPFBOYNCSVPDU-GHMZBOCLSA-N -1 0 352.351 -0.597 20 0 FBADRM Cn1cc(N2CC[C@H](ON=C(N)[C@H]3COCCN3C(=O)[O-])C2=O)cn1 ZINC000833950412 605733317 /nfs/dbraw/zinc/73/33/17/605733317.db2.gz NAPFBOYNCSVPDU-MNOVXSKESA-N -1 0 352.351 -0.597 20 0 FBADRM Cn1cc(N2CC[C@H](ON=C(N)[C@@H]3COCCN3C(=O)[O-])C2=O)cn1 ZINC000833950416 605733188 /nfs/dbraw/zinc/73/31/88/605733188.db2.gz NAPFBOYNCSVPDU-QWRGUYRKSA-N -1 0 352.351 -0.597 20 0 FBADRM Cn1cc(N2CC[C@@H](ON=C(N)[C@@H]3COCCN3C(=O)[O-])C2=O)cn1 ZINC000833950417 605733309 /nfs/dbraw/zinc/73/33/09/605733309.db2.gz NAPFBOYNCSVPDU-WDEREUQCSA-N -1 0 352.351 -0.597 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)NC[C@H](NC(=O)[O-])C3CC3)C2=O)cn1 ZINC000833950422 605843898 /nfs/dbraw/zinc/84/38/98/605843898.db2.gz NCQLAKBVNJDFLT-NEPJUHHUSA-N -1 0 350.379 -0.129 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)NC[C@@H](NC(=O)[O-])C3CC3)C2=O)cn1 ZINC000833950423 605843733 /nfs/dbraw/zinc/84/37/33/605843733.db2.gz NCQLAKBVNJDFLT-NWDGAFQWSA-N -1 0 350.379 -0.129 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)NC[C@H](NC(=O)[O-])C3CC3)C2=O)cn1 ZINC000833950424 605843801 /nfs/dbraw/zinc/84/38/01/605843801.db2.gz NCQLAKBVNJDFLT-RYUDHWBXSA-N -1 0 350.379 -0.129 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)NC[C@@H](NC(=O)[O-])C3CC3)C2=O)cn1 ZINC000833950425 605843895 /nfs/dbraw/zinc/84/38/95/605843895.db2.gz NCQLAKBVNJDFLT-VXGBXAGGSA-N -1 0 350.379 -0.129 20 0 FBADRM Cn1cc(N2CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)[O-])CC2)cn1 ZINC000833950426 605435071 /nfs/dbraw/zinc/43/50/71/605435071.db2.gz NDERBYFGFHLDPK-GFCCVEGCSA-N -1 0 373.435 -0.860 20 0 FBADRM Cn1cc(N2CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)[O-])CC2)cn1 ZINC000833950427 605438272 /nfs/dbraw/zinc/43/82/72/605438272.db2.gz NDERBYFGFHLDPK-LBPRGKRZSA-N -1 0 373.435 -0.860 20 0 FBADRM Cn1cc(N2CCC[C@@H](NC(=O)NCC3CN(C(=O)[O-])C3)C2=O)cn1 ZINC000833950467 605737477 /nfs/dbraw/zinc/73/74/77/605737477.db2.gz OJNXMDNUXROBIO-GFCCVEGCSA-N -1 0 350.379 -0.176 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)NCC3CN(C(=O)[O-])C3)C2=O)cn1 ZINC000833950468 605737828 /nfs/dbraw/zinc/73/78/28/605737828.db2.gz OJNXMDNUXROBIO-LBPRGKRZSA-N -1 0 350.379 -0.176 20 0 FBADRM Cn1cc(S(=O)(=O)Nc2ccc(NC(=O)[O-])nc2)c(=O)n(C)c1=O ZINC000833950595 606078449 /nfs/dbraw/zinc/07/84/49/606078449.db2.gz IXKBVJLDEUFBHH-UHFFFAOYSA-N -1 0 355.332 -0.630 20 0 FBADRM Cn1cc(S(=O)(=O)NCCNC(=O)[O-])cc1C(=O)NCC(F)(F)F ZINC000833950685 605993556 /nfs/dbraw/zinc/99/35/56/605993556.db2.gz KXKSAAXCRGNFMY-UHFFFAOYSA-N -1 0 372.325 -0.137 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCCN1C(=O)[O-] ZINC000833950911 605982208 /nfs/dbraw/zinc/98/22/08/605982208.db2.gz LYUNEGAHIPFWKO-UHFFFAOYSA-N -1 0 372.403 -0.213 20 0 FBADRM Cn1cc(O)c(=O)cc1CNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000833951148 605878647 /nfs/dbraw/zinc/87/86/47/605878647.db2.gz PIMBMYCPBOPVHZ-UHFFFAOYSA-N -1 0 352.391 -0.219 20 0 FBADRM Cn1cc(S(=O)(=O)NCC2(C)CCN(C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000833951248 605415351 /nfs/dbraw/zinc/41/53/51/605415351.db2.gz RDRPKVZZTREQQX-UHFFFAOYSA-N -1 0 374.419 -0.858 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@]2(C)CCCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000833951275 605415388 /nfs/dbraw/zinc/41/53/88/605415388.db2.gz SAINJKYNSHEMPK-AWEZNQCLSA-N -1 0 374.419 -0.858 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@@]2(C)CCCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000833951276 605415645 /nfs/dbraw/zinc/41/56/45/605415645.db2.gz SAINJKYNSHEMPK-CQSZACIVSA-N -1 0 374.419 -0.858 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)C3CN(C(=O)[O-])C3)CC2)cn1 ZINC000833951496 605558610 /nfs/dbraw/zinc/55/86/10/605558610.db2.gz UGKDLFFFZBKURH-UHFFFAOYSA-N -1 0 371.419 -0.701 20 0 FBADRM Cn1cc(NC(=O)CNC(=O)CNC(=O)[O-])cc(Br)c1=O ZINC000833951516 605350644 /nfs/dbraw/zinc/35/06/44/605350644.db2.gz VDUQWZLRIRAZRT-UHFFFAOYSA-N -1 0 361.152 -0.530 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC(=O)c2cnc(NC(=O)[O-])cn2)cn1 ZINC000833951517 606010755 /nfs/dbraw/zinc/01/07/55/606010755.db2.gz VENLLASVPSCBKX-UHFFFAOYSA-N -1 0 370.347 -0.565 20 0 FBADRM Cn1cc(S(=O)(=O)Nc2cccc(CNC(=O)[O-])c2)c(=O)n(C)c1=O ZINC000833951526 606078688 /nfs/dbraw/zinc/07/86/88/606078688.db2.gz VLTRWKNGUGCNHE-UHFFFAOYSA-N -1 0 368.371 -0.348 20 0 FBADRM Cn1cc(N2CCC[C@@H](NC(=O)CCOC3CN(C(=O)[O-])C3)C2=O)cn1 ZINC000833951717 606088751 /nfs/dbraw/zinc/08/87/51/606088751.db2.gz WSMFMZLMYRDYFY-CYBMUJFWSA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1cc(N2CCC[C@H](NC(=O)CCOC3CN(C(=O)[O-])C3)C2=O)cn1 ZINC000833951718 606089031 /nfs/dbraw/zinc/08/90/31/606089031.db2.gz WSMFMZLMYRDYFY-ZDUSSCGKSA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)NC[C@@H](NC(=O)[O-])C3CC3)CC2)c1=O ZINC000833951745 605852504 /nfs/dbraw/zinc/85/25/04/605852504.db2.gz AHIUQGVTMWJPHC-GFCCVEGCSA-N -1 0 364.406 -0.342 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)NC[C@H](NC(=O)[O-])C3CC3)CC2)c1=O ZINC000833951746 605852452 /nfs/dbraw/zinc/85/24/52/605852452.db2.gz AHIUQGVTMWJPHC-LBPRGKRZSA-N -1 0 364.406 -0.342 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)CCOC3CN(C(=O)[O-])C3)CC2)c1=O ZINC000833951767 606090353 /nfs/dbraw/zinc/09/03/53/606090353.db2.gz ASEPPTAQUIRZIA-UHFFFAOYSA-N -1 0 365.390 -0.802 20 0 FBADRM Cn1cc(NC(=O)C(=O)NCCCN2CCN(C(=O)[O-])CC2)ccc1=O ZINC000833951865 605922566 /nfs/dbraw/zinc/92/25/66/605922566.db2.gz WSURSWGHPWQLNY-UHFFFAOYSA-N -1 0 365.390 -0.874 20 0 FBADRM Cn1cc(N2CCN(C(=O)CCOC3CN(C(=O)[O-])C3)CC2=O)cn1 ZINC000833951911 606092045 /nfs/dbraw/zinc/09/20/45/606092045.db2.gz XJROVYLXDDZMKL-UHFFFAOYSA-N -1 0 351.363 -0.636 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)c3cnc(NC(=O)[O-])cn3)CC2)c1=O ZINC000833952214 606004515 /nfs/dbraw/zinc/00/45/15/606004515.db2.gz IZYSSFWGDGNCJR-UHFFFAOYSA-N -1 0 359.346 -0.377 20 0 FBADRM Cn1ccc(N2CCC[C@@H](NC(=O)NCC3CN(C(=O)[O-])C3)C2=O)n1 ZINC000833952319 605739176 /nfs/dbraw/zinc/73/91/76/605739176.db2.gz DZTYLSIISDXJEU-LLVKDONJSA-N -1 0 350.379 -0.176 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)NCC3CN(C(=O)[O-])C3)C2=O)n1 ZINC000833952320 605739016 /nfs/dbraw/zinc/73/90/16/605739016.db2.gz DZTYLSIISDXJEU-NSHDSACASA-N -1 0 350.379 -0.176 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)[C@@H](CC(F)F)NC(=O)[O-])CC2)c1=O ZINC000833952470 606063354 /nfs/dbraw/zinc/06/33/54/606063354.db2.gz MNQQHOZKXHTWFQ-SECBINFHSA-N -1 0 359.333 -0.280 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)[C@H](CC(F)F)NC(=O)[O-])CC2)c1=O ZINC000833952471 606063524 /nfs/dbraw/zinc/06/35/24/606063524.db2.gz MNQQHOZKXHTWFQ-VIFPVBQESA-N -1 0 359.333 -0.280 20 0 FBADRM Cn1ccnc(N2CCN(C(=O)NCC3CN(C(=O)[O-])C3)CC2)c1=O ZINC000833952633 605737566 /nfs/dbraw/zinc/73/75/66/605737566.db2.gz OAXPVZQWTQMTSM-UHFFFAOYSA-N -1 0 350.379 -0.778 20 0 FBADRM Cn1ccc(N2CCC[C@@H](ON=C(N)[C@H]3COCCN3C(=O)[O-])C2=O)n1 ZINC000833952676 605733130 /nfs/dbraw/zinc/73/31/30/605733130.db2.gz KXOLJBCVULTNAQ-GHMZBOCLSA-N -1 0 366.378 -0.207 20 0 FBADRM Cn1ccc(N2CCC[C@H](ON=C(N)[C@H]3COCCN3C(=O)[O-])C2=O)n1 ZINC000833952679 605733080 /nfs/dbraw/zinc/73/30/80/605733080.db2.gz KXOLJBCVULTNAQ-MNOVXSKESA-N -1 0 366.378 -0.207 20 0 FBADRM Cn1ccc(N2CCC[C@H](ON=C(N)[C@@H]3COCCN3C(=O)[O-])C2=O)n1 ZINC000833952681 605732758 /nfs/dbraw/zinc/73/27/58/605732758.db2.gz KXOLJBCVULTNAQ-QWRGUYRKSA-N -1 0 366.378 -0.207 20 0 FBADRM Cn1ccc(N2CCC[C@@H](ON=C(N)[C@@H]3COCCN3C(=O)[O-])C2=O)n1 ZINC000833952683 605732754 /nfs/dbraw/zinc/73/27/54/605732754.db2.gz KXOLJBCVULTNAQ-WDEREUQCSA-N -1 0 366.378 -0.207 20 0 FBADRM Cn1ccc(CNC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)n1 ZINC000833952961 605333565 /nfs/dbraw/zinc/33/35/65/605333565.db2.gz PUVDJHUGDIHCIR-LLVKDONJSA-N -1 0 352.395 -0.275 20 0 FBADRM Cn1ccc(CNC(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)n1 ZINC000833952963 605332885 /nfs/dbraw/zinc/33/28/85/605332885.db2.gz PUVDJHUGDIHCIR-NSHDSACASA-N -1 0 352.395 -0.275 20 0 FBADRM Cn1ccc(N2CCC[C@@H](NC(=O)CCOC3CN(C(=O)[O-])C3)C2=O)n1 ZINC000833953550 606088834 /nfs/dbraw/zinc/08/88/34/606088834.db2.gz XFYDZJBRAQSWOY-GFCCVEGCSA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1ccc(N2CCC[C@H](NC(=O)CCOC3CN(C(=O)[O-])C3)C2=O)n1 ZINC000833953553 606089052 /nfs/dbraw/zinc/08/90/52/606089052.db2.gz XFYDZJBRAQSWOY-LBPRGKRZSA-N -1 0 365.390 -0.199 20 0 FBADRM Cn1cnc(CNC(=O)C(=O)Nc2cccc(OCCNC(=O)[O-])c2)n1 ZINC000833953968 605542768 /nfs/dbraw/zinc/54/27/68/605542768.db2.gz FJNFWYIPFAJXJZ-UHFFFAOYSA-N -1 0 362.346 -0.284 20 0 FBADRM Cn1ccnc1-c1csc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)n1 ZINC000833954200 605940753 /nfs/dbraw/zinc/94/07/53/605940753.db2.gz GSLOCOSMGKLDOB-UHFFFAOYSA-N -1 0 350.360 -0.040 20 0 FBADRM Cn1cnc(CNC(=O)C(=O)Nc2ccc(OCCNC(=O)[O-])cc2)n1 ZINC000833954286 605577442 /nfs/dbraw/zinc/57/74/42/605577442.db2.gz MEJPGTQXQWYZOB-UHFFFAOYSA-N -1 0 362.346 -0.284 20 0 FBADRM Cn1cnc(CNC(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)n1 ZINC000833954307 605541144 /nfs/dbraw/zinc/54/11/44/605541144.db2.gz MZLMJLKZNZHRLN-JTQLQIEISA-N -1 0 353.383 -0.880 20 0 FBADRM Cn1cnc(CNC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)n1 ZINC000833954308 605541195 /nfs/dbraw/zinc/54/11/95/605541195.db2.gz MZLMJLKZNZHRLN-SNVBAGLBSA-N -1 0 353.383 -0.880 20 0 FBADRM Cn1ccnc1-c1cc(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)[O-])n[nH]1 ZINC000833954357 605503650 /nfs/dbraw/zinc/50/36/50/605503650.db2.gz HUIJKPFXZDGQQJ-MRVPVSSYSA-N -1 0 370.391 -0.180 20 0 FBADRM Cn1ccnc1-c1cc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)[O-])n[nH]1 ZINC000833954358 605504164 /nfs/dbraw/zinc/50/41/64/605504164.db2.gz HUIJKPFXZDGQQJ-QMMMGPOBSA-N -1 0 370.391 -0.180 20 0 FBADRM Cn1ccnc1N1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)[O-])CC1 ZINC000833955013 605439613 /nfs/dbraw/zinc/43/96/13/605439613.db2.gz CISNZEDQHRUMTE-LLVKDONJSA-N -1 0 373.435 -0.860 20 0 FBADRM Cn1ccnc1N1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)[O-])CC1 ZINC000833955014 605439180 /nfs/dbraw/zinc/43/91/80/605439180.db2.gz CISNZEDQHRUMTE-NSHDSACASA-N -1 0 373.435 -0.860 20 0 FBADRM Cn1ccnc1CN1CCN(C(=O)CCOC2CN(C(=O)[O-])C2)CC1 ZINC000833955211 605306305 /nfs/dbraw/zinc/30/63/05/605306305.db2.gz FSOUCXBDKSJJMA-UHFFFAOYSA-N -1 0 351.407 -0.167 20 0 FBADRM Cn1ccnc1CN1CCC[C@H](NC(=O)N2CC[C@@H](NC(=O)[O-])C2)C1=O ZINC000833955232 606011869 /nfs/dbraw/zinc/01/18/69/606011869.db2.gz GDMKBJZVOFTCOZ-NEPJUHHUSA-N -1 0 364.406 -0.037 20 0 FBADRM Cn1ccnc1CN1CCC[C@@H](NC(=O)N2CC[C@H](NC(=O)[O-])C2)C1=O ZINC000833955233 606012086 /nfs/dbraw/zinc/01/20/86/606012086.db2.gz GDMKBJZVOFTCOZ-NWDGAFQWSA-N -1 0 364.406 -0.037 20 0 FBADRM Cn1ccnc1CN1CCC[C@H](NC(=O)N2CC[C@H](NC(=O)[O-])C2)C1=O ZINC000833955234 606011949 /nfs/dbraw/zinc/01/19/49/606011949.db2.gz GDMKBJZVOFTCOZ-RYUDHWBXSA-N -1 0 364.406 -0.037 20 0 FBADRM Cn1ccnc1CN1CCC[C@@H](NC(=O)N2CC[C@@H](NC(=O)[O-])C2)C1=O ZINC000833955235 606011997 /nfs/dbraw/zinc/01/19/97/606011997.db2.gz GDMKBJZVOFTCOZ-VXGBXAGGSA-N -1 0 364.406 -0.037 20 0 FBADRM Cn1ccnc1[C@H](O)C1CCN(C(=O)CNC(=O)CNC(=O)[O-])CC1 ZINC000833955371 605391284 /nfs/dbraw/zinc/39/12/84/605391284.db2.gz RTMFZZUFFUULPX-CYBMUJFWSA-N -1 0 353.379 -0.924 20 0 FBADRM Cn1ccnc1[C@@H](O)C1CCN(C(=O)CNC(=O)CNC(=O)[O-])CC1 ZINC000833955372 605391800 /nfs/dbraw/zinc/39/18/00/605391800.db2.gz RTMFZZUFFUULPX-ZDUSSCGKSA-N -1 0 353.379 -0.924 20 0 FBADRM Cn1ccnc1[C@@H]1CCN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000833955876 606074909 /nfs/dbraw/zinc/07/49/09/606074909.db2.gz VPNBTAXYTLJJGP-GFCCVEGCSA-N -1 0 364.406 -0.259 20 0 FBADRM Cn1ccnc1[C@H]1CCN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000833955877 606075410 /nfs/dbraw/zinc/07/54/10/606075410.db2.gz VPNBTAXYTLJJGP-LBPRGKRZSA-N -1 0 364.406 -0.259 20 0 FBADRM Cn1cnn(CC(=O)Nc2ccc(-c3nnc(CNC(=O)[O-])[nH]3)cc2)c1=O ZINC000833956037 605541237 /nfs/dbraw/zinc/54/12/37/605541237.db2.gz HOYXIFBGWOUOOV-UHFFFAOYSA-N -1 0 372.345 -0.227 20 0 FBADRM Cn1cnn(CN2CCC[C@@H](C(=O)N3CCN(C(=O)[O-])CC3)C2)c1=O ZINC000833956106 605404838 /nfs/dbraw/zinc/40/48/38/605404838.db2.gz IPLBKLKOQLXOFV-GFCCVEGCSA-N -1 0 352.395 -0.927 20 0 FBADRM Cn1cnn(CN2CCC[C@H](C(=O)N3CCN(C(=O)[O-])CC3)C2)c1=O ZINC000833956108 605404476 /nfs/dbraw/zinc/40/44/76/605404476.db2.gz IPLBKLKOQLXOFV-LBPRGKRZSA-N -1 0 352.395 -0.927 20 0 FBADRM Cn1cnnc1[C@H]1CCCN1C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000833956691 605454594 /nfs/dbraw/zinc/45/45/94/605454594.db2.gz NKOLRJUCJORQBC-GFCCVEGCSA-N -1 0 351.411 -0.043 20 0 FBADRM Cn1cnnc1[C@@H]1CCCN1C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000833956693 605454338 /nfs/dbraw/zinc/45/43/38/605454338.db2.gz NKOLRJUCJORQBC-LBPRGKRZSA-N -1 0 351.411 -0.043 20 0 FBADRM Cn1ccnc1CN1CCC[C@@H](NC(=O)[C@@H]2COCCN2C(=O)[O-])C1=O ZINC000833956698 606066211 /nfs/dbraw/zinc/06/62/11/606066211.db2.gz MKDIMUKPTSLBKH-NEPJUHHUSA-N -1 0 365.390 -0.594 20 0 FBADRM Cn1ccnc1CN1CCC[C@H](NC(=O)[C@H]2COCCN2C(=O)[O-])C1=O ZINC000833956702 606066216 /nfs/dbraw/zinc/06/62/16/606066216.db2.gz MKDIMUKPTSLBKH-NWDGAFQWSA-N -1 0 365.390 -0.594 20 0 FBADRM Cn1ccnc1CN1CCC[C@H](NC(=O)[C@@H]2COCCN2C(=O)[O-])C1=O ZINC000833956704 606066201 /nfs/dbraw/zinc/06/62/01/606066201.db2.gz MKDIMUKPTSLBKH-RYUDHWBXSA-N -1 0 365.390 -0.594 20 0 FBADRM Cn1ccnc1CN1CCC[C@@H](NC(=O)[C@H]2COCCN2C(=O)[O-])C1=O ZINC000833956708 606066398 /nfs/dbraw/zinc/06/63/98/606066398.db2.gz MKDIMUKPTSLBKH-VXGBXAGGSA-N -1 0 365.390 -0.594 20 0 FBADRM Cn1cnn(CN2CCC[C@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)c1=O ZINC000833956712 605409313 /nfs/dbraw/zinc/40/93/13/605409313.db2.gz NSAUOIFLQUHVML-CHWSQXEVSA-N -1 0 366.422 -0.490 20 0 FBADRM Cn1cnn(CN2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)c1=O ZINC000833956714 605409596 /nfs/dbraw/zinc/40/95/96/605409596.db2.gz NSAUOIFLQUHVML-OLZOCXBDSA-N -1 0 366.422 -0.490 20 0 FBADRM Cn1cnn(CN2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)c1=O ZINC000833956716 605409286 /nfs/dbraw/zinc/40/92/86/605409286.db2.gz NSAUOIFLQUHVML-QWHCGFSZSA-N -1 0 366.422 -0.490 20 0 FBADRM Cn1cnn(CN2CCC[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)c1=O ZINC000833956717 605409610 /nfs/dbraw/zinc/40/96/10/605409610.db2.gz NSAUOIFLQUHVML-STQMWFEESA-N -1 0 366.422 -0.490 20 0 FBADRM Cn1ccnc1CN1CCC[C@@H](NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000833957220 606007676 /nfs/dbraw/zinc/00/76/76/606007676.db2.gz ODROIXYMHVMTNV-NEPJUHHUSA-N -1 0 365.390 -0.594 20 0 FBADRM Cn1ccnc1CN1CCC[C@H](NC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000833957221 606007912 /nfs/dbraw/zinc/00/79/12/606007912.db2.gz ODROIXYMHVMTNV-NWDGAFQWSA-N -1 0 365.390 -0.594 20 0 FBADRM Cn1ccnc1CN1CCC[C@H](NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000833957222 606007713 /nfs/dbraw/zinc/00/77/13/606007713.db2.gz ODROIXYMHVMTNV-RYUDHWBXSA-N -1 0 365.390 -0.594 20 0 FBADRM Cn1ccnc1CN1CCC[C@@H](NC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1=O ZINC000833957223 606007908 /nfs/dbraw/zinc/00/79/08/606007908.db2.gz ODROIXYMHVMTNV-VXGBXAGGSA-N -1 0 365.390 -0.594 20 0 FBADRM Cn1cnnc1CS(=O)(=O)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000833957576 605866733 /nfs/dbraw/zinc/86/67/33/605866733.db2.gz RVZDQBQHDQADHS-QWHCGFSZSA-N -1 0 368.415 -0.030 20 0 FBADRM Cn1cnnc1CS(=O)(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000833957578 605866891 /nfs/dbraw/zinc/86/68/91/605866891.db2.gz RVZDQBQHDQADHS-STQMWFEESA-N -1 0 368.415 -0.030 20 0 FBADRM Cn1ccnc1CN1CCC[C@@H](NC(=O)NCC2CN(C(=O)[O-])C2)C1=O ZINC000833957605 605999221 /nfs/dbraw/zinc/99/92/21/605999221.db2.gz QIJILDQNYYQSSU-GFCCVEGCSA-N -1 0 364.406 -0.180 20 0 FBADRM Cn1ccnc1CN1CCC[C@H](NC(=O)NCC2CN(C(=O)[O-])C2)C1=O ZINC000833957606 605999465 /nfs/dbraw/zinc/99/94/65/605999465.db2.gz QIJILDQNYYQSSU-LBPRGKRZSA-N -1 0 364.406 -0.180 20 0 FBADRM Cn1cnnc1-c1cncc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)c1 ZINC000833957711 605997237 /nfs/dbraw/zinc/99/72/37/605997237.db2.gz WMNYHNKMDCBMNL-UHFFFAOYSA-N -1 0 359.346 -0.362 20 0 FBADRM Cn1cnn(CC(=O)Nc2ccc(N3CCN(C(=O)[O-])CC3)cn2)c1=O ZINC000833957736 605528843 /nfs/dbraw/zinc/52/88/43/605528843.db2.gz XASDVDVWTCCPHM-UHFFFAOYSA-N -1 0 361.362 -0.585 20 0 FBADRM Cn1ccnc1CN1CCC[C@@H](NC(=O)COCCNC(=O)[O-])C1=O ZINC000833957999 661159906 /nfs/dbraw/zinc/15/99/06/661159906.db2.gz SRXMAXMQDSMYHR-LLVKDONJSA-N -1 0 353.379 -0.689 20 0 FBADRM Cn1ccnc1CN1CCC[C@H](NC(=O)COCCNC(=O)[O-])C1=O ZINC000833958000 661159810 /nfs/dbraw/zinc/15/98/10/661159810.db2.gz SRXMAXMQDSMYHR-NSHDSACASA-N -1 0 353.379 -0.689 20 0 FBADRM Cn1ccnc1CN1CCC[C@@H](NC(=O)NCCCNC(=O)[O-])C1=O ZINC000833958009 605999474 /nfs/dbraw/zinc/99/94/74/605999474.db2.gz SXPICEUUIWVBDA-LLVKDONJSA-N -1 0 352.395 -0.132 20 0 FBADRM Cn1ccnc1CN1CCC[C@H](NC(=O)NCCCNC(=O)[O-])C1=O ZINC000833958010 605999271 /nfs/dbraw/zinc/99/92/71/605999271.db2.gz SXPICEUUIWVBDA-NSHDSACASA-N -1 0 352.395 -0.132 20 0 FBADRM Cn1cnnc1[C@H]1CCCN1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000833958084 605453972 /nfs/dbraw/zinc/45/39/72/605453972.db2.gz ZYFIWHMFODWMNL-LLVKDONJSA-N -1 0 365.394 -0.516 20 0 FBADRM Cn1cnnc1[C@@H]1CCCN1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000833958085 605454213 /nfs/dbraw/zinc/45/42/13/605454213.db2.gz ZYFIWHMFODWMNL-NSHDSACASA-N -1 0 365.394 -0.516 20 0 FBADRM Cn1cnn(-c2ccc(NC(=O)C(=O)N3CC[C@@H](NC(=O)[O-])C3)cc2)c1=O ZINC000833958137 605723655 /nfs/dbraw/zinc/72/36/55/605723655.db2.gz BJYMJMPAWFYGLO-LLVKDONJSA-N -1 0 374.357 -0.622 20 0 FBADRM Cn1cnn(-c2ccc(NC(=O)C(=O)N3CC[C@H](NC(=O)[O-])C3)cc2)c1=O ZINC000833958138 605723540 /nfs/dbraw/zinc/72/35/40/605723540.db2.gz BJYMJMPAWFYGLO-NSHDSACASA-N -1 0 374.357 -0.622 20 0 FBADRM Cn1cnn(-c2ccc(NC(=O)C(=O)NCCCNC(=O)[O-])cc2)c1=O ZINC000833958186 605723532 /nfs/dbraw/zinc/72/35/32/605723532.db2.gz DUNOKYFFAJQSHU-UHFFFAOYSA-N -1 0 362.346 -0.717 20 0 FBADRM Cn1ccnc1CN1CCC[C@H](NC(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1=O ZINC000833958341 605999292 /nfs/dbraw/zinc/99/92/92/605999292.db2.gz XFMGZSUNVSSLNE-NEPJUHHUSA-N -1 0 364.406 -0.037 20 0 FBADRM Cn1ccnc1CN1CCC[C@@H](NC(=O)N[C@H]2CCN(C(=O)[O-])C2)C1=O ZINC000833958342 605999309 /nfs/dbraw/zinc/99/93/09/605999309.db2.gz XFMGZSUNVSSLNE-NWDGAFQWSA-N -1 0 364.406 -0.037 20 0 FBADRM Cn1ccnc1CN1CCC[C@H](NC(=O)N[C@H]2CCN(C(=O)[O-])C2)C1=O ZINC000833958344 605999537 /nfs/dbraw/zinc/99/95/37/605999537.db2.gz XFMGZSUNVSSLNE-RYUDHWBXSA-N -1 0 364.406 -0.037 20 0 FBADRM Cn1ccnc1CN1CCC[C@@H](NC(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1=O ZINC000833958345 605999459 /nfs/dbraw/zinc/99/94/59/605999459.db2.gz XFMGZSUNVSSLNE-VXGBXAGGSA-N -1 0 364.406 -0.037 20 0 FBADRM Cn1cnnc1CNC(=O)C(=O)Nc1ccc(OCCNC(=O)[O-])cc1 ZINC000833958507 605517822 /nfs/dbraw/zinc/51/78/22/605517822.db2.gz ZWCIIVJOLYEJSI-UHFFFAOYSA-N -1 0 362.346 -0.284 20 0 FBADRM Cn1nc2c(c1NC(=O)C(=O)NCCN1CCN(C(=O)[O-])CC1)CCC2 ZINC000833958518 605678975 /nfs/dbraw/zinc/67/89/75/605678975.db2.gz JQSSAKUOVSQFIH-UHFFFAOYSA-N -1 0 364.406 -0.741 20 0 FBADRM Cn1cnn(-c2ccc(NC(=O)CN3CCN(C(=O)[O-])CC3=O)cc2)c1=O ZINC000833958765 605709110 /nfs/dbraw/zinc/70/91/10/605709110.db2.gz JWJZIAVDCBTRFZ-UHFFFAOYSA-N -1 0 374.357 -0.668 20 0 FBADRM Cn1cnn(-c2ccc(NC(=O)C(=O)N[C@@H]3CCN(C(=O)[O-])C3)cc2)c1=O ZINC000833958766 605723662 /nfs/dbraw/zinc/72/36/62/605723662.db2.gz JWYXTLSYPJJDHC-LLVKDONJSA-N -1 0 374.357 -0.622 20 0 FBADRM Cn1cnn(-c2ccc(NC(=O)C(=O)N[C@H]3CCN(C(=O)[O-])C3)cc2)c1=O ZINC000833958767 605723570 /nfs/dbraw/zinc/72/35/70/605723570.db2.gz JWYXTLSYPJJDHC-NSHDSACASA-N -1 0 374.357 -0.622 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)OCC(C)(C)NC(=O)[O-])c(=O)n2C ZINC000833958932 605744188 /nfs/dbraw/zinc/74/41/88/605744188.db2.gz LIWMVUSURSIXJR-UHFFFAOYSA-N -1 0 353.335 -0.977 20 0 FBADRM Cn1cnc2c1c(=O)n(CC(=O)OC1CCN(C(=O)[O-])CC1)c(=O)n2C ZINC000833958963 605731546 /nfs/dbraw/zinc/73/15/46/605731546.db2.gz LXKKPPMFLONWIA-UHFFFAOYSA-N -1 0 365.346 -0.881 20 0 FBADRM Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCN(C(=O)[O-])CC3)cc2)c1=O ZINC000833959442 605721424 /nfs/dbraw/zinc/72/14/24/605721424.db2.gz UVVPUOBVLMHYTD-UHFFFAOYSA-N -1 0 374.357 -0.668 20 0 FBADRM Cn1cnn(-c2ccc(NC(=O)C(=O)NCC3CN(C(=O)[O-])C3)cc2)c1=O ZINC000833959492 605723563 /nfs/dbraw/zinc/72/35/63/605723563.db2.gz VOABLGQZYJGRCH-UHFFFAOYSA-N -1 0 374.357 -0.765 20 0 FBADRM Cn1nnnc1CCNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000833960066 605815707 /nfs/dbraw/zinc/81/57/07/605815707.db2.gz GHKWAJZARXGXET-UHFFFAOYSA-N -1 0 359.346 -0.452 20 0 FBADRM Cn1nnnc1CCNC(=O)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000833960259 605815558 /nfs/dbraw/zinc/81/55/58/605815558.db2.gz HEATTZURTQMSNJ-UHFFFAOYSA-N -1 0 351.298 -0.264 20 0 FBADRM Cn1nnnc1CCNC(=O)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000833960366 605815363 /nfs/dbraw/zinc/81/53/63/605815363.db2.gz JBZXVMSIIKDEFK-UHFFFAOYSA-N -1 0 359.346 -0.452 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)NCC2CN(C(=O)[O-])C2)c1 ZINC000833960649 605726124 /nfs/dbraw/zinc/72/61/24/605726124.db2.gz LCBMELJWYHBJCW-UHFFFAOYSA-N -1 0 352.376 -0.235 20 0 FBADRM Cn1nnnc1CCNC(=O)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000833960661 605797088 /nfs/dbraw/zinc/79/70/88/605797088.db2.gz LEIPDIFDUXPVPK-UHFFFAOYSA-N -1 0 355.399 -0.399 20 0 FBADRM Cn1[nH]cnc1=NC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000833960671 605921019 /nfs/dbraw/zinc/92/10/19/605921019.db2.gz LGEBQAPPTGYQLJ-LLVKDONJSA-N -1 0 365.394 -0.697 20 0 FBADRM Cn1[nH]cnc1=NC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000833960672 605921041 /nfs/dbraw/zinc/92/10/41/605921041.db2.gz LGEBQAPPTGYQLJ-NSHDSACASA-N -1 0 365.394 -0.697 20 0 FBADRM Cn1nnnc1CCNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000833960679 605815120 /nfs/dbraw/zinc/81/51/20/605815120.db2.gz LPJBVYINSNNDIL-UHFFFAOYSA-N -1 0 373.373 -0.062 20 0 FBADRM Cn1ncc(NC(=O)C(=O)NCCN2CCN(C(=O)[O-])CC2)c1C(F)F ZINC000833960800 605455461 /nfs/dbraw/zinc/45/54/61/605455461.db2.gz DSQHVZOTTWBOMR-UHFFFAOYSA-N -1 0 374.348 -0.292 20 0 FBADRM Cn1ncc2c1ncnc2N1CCN(C(=O)NCC2CN(C(=O)[O-])C2)CC1 ZINC000833960819 605771046 /nfs/dbraw/zinc/77/10/46/605771046.db2.gz FEZYATDZDWBCMA-UHFFFAOYSA-N -1 0 374.405 -0.195 20 0 FBADRM Cn1ncc2c1ncnc2N1CCN(CN2C[C@H](NC(=O)[O-])CC2=O)CC1 ZINC000833960880 605992757 /nfs/dbraw/zinc/99/27/57/605992757.db2.gz GLMCLBVXESOGLM-LLVKDONJSA-N -1 0 374.405 -0.689 20 0 FBADRM Cn1ncc2c1ncnc2N1CCN(CN2C[C@@H](NC(=O)[O-])CC2=O)CC1 ZINC000833960881 605992962 /nfs/dbraw/zinc/99/29/62/605992962.db2.gz GLMCLBVXESOGLM-NSHDSACASA-N -1 0 374.405 -0.689 20 0 FBADRM Cn1ncc2c1ncn(Cc1nc([C@H]3COCCN3C(=O)[O-])no1)c2=O ZINC000833960906 605715701 /nfs/dbraw/zinc/71/57/01/605715701.db2.gz GRKUYUBWLAXIDE-SECBINFHSA-N -1 0 361.318 -0.387 20 0 FBADRM Cn1ncc2c1ncn(Cc1nc([C@@H]3COCCN3C(=O)[O-])no1)c2=O ZINC000833960908 605715925 /nfs/dbraw/zinc/71/59/25/605715925.db2.gz GRKUYUBWLAXIDE-VIFPVBQESA-N -1 0 361.318 -0.387 20 0 FBADRM Cn1nnnc1CN1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833961403 605520063 /nfs/dbraw/zinc/52/00/63/605520063.db2.gz RQNQAUQYBWBHEQ-NEPJUHHUSA-N -1 0 351.411 -0.319 20 0 FBADRM Cn1nnnc1CN1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000833961404 605520093 /nfs/dbraw/zinc/52/00/93/605520093.db2.gz RQNQAUQYBWBHEQ-NWDGAFQWSA-N -1 0 351.411 -0.319 20 0 FBADRM Cn1nnnc1CN1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833961406 605520328 /nfs/dbraw/zinc/52/03/28/605520328.db2.gz RQNQAUQYBWBHEQ-RYUDHWBXSA-N -1 0 351.411 -0.319 20 0 FBADRM Cn1nnnc1CN1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000833961408 605520324 /nfs/dbraw/zinc/52/03/24/605520324.db2.gz RQNQAUQYBWBHEQ-VXGBXAGGSA-N -1 0 351.411 -0.319 20 0 FBADRM Cn1nnnc1CCNC(=O)C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000833961440 605815138 /nfs/dbraw/zinc/81/51/38/605815138.db2.gz SHOMRGXNHATASY-UHFFFAOYSA-N -1 0 373.373 -0.456 20 0 FBADRM Cn1nnnc1CCNC(=O)C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000833961710 605815711 /nfs/dbraw/zinc/81/57/11/605815711.db2.gz VXBUXCGFZUDHMZ-UHFFFAOYSA-N -1 0 373.373 -0.456 20 0 FBADRM Cn1ncc2c1CCC[C@H]2NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)[O-] ZINC000833961939 605416633 /nfs/dbraw/zinc/41/66/33/605416633.db2.gz OCQZZDMHWKSTHN-GHMZBOCLSA-N -1 0 358.420 -0.015 20 0 FBADRM Cn1ncc2c1CCC[C@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)[O-] ZINC000833961940 605416630 /nfs/dbraw/zinc/41/66/30/605416630.db2.gz OCQZZDMHWKSTHN-MNOVXSKESA-N -1 0 358.420 -0.015 20 0 FBADRM Cn1ncc2c1CCC[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)[O-] ZINC000833961941 605416584 /nfs/dbraw/zinc/41/65/84/605416584.db2.gz OCQZZDMHWKSTHN-QWRGUYRKSA-N -1 0 358.420 -0.015 20 0 FBADRM Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)[O-] ZINC000833961942 605416410 /nfs/dbraw/zinc/41/64/10/605416410.db2.gz OCQZZDMHWKSTHN-WDEREUQCSA-N -1 0 358.420 -0.015 20 0 FBADRM Cn1ncc2c1nc(COC(=O)CCOC1CN(C(=O)[O-])C1)[nH]c2=O ZINC000833962546 606102312 /nfs/dbraw/zinc/10/23/12/606102312.db2.gz XLHCUILARMMVAY-UHFFFAOYSA-N -1 0 351.319 -0.119 20 0 FBADRM Cn1ncnc1COc1ccc(S(=O)(=O)NCCNC(=O)[O-])cc1 ZINC000833963499 605642545 /nfs/dbraw/zinc/64/25/45/605642545.db2.gz NXWDDGHTGKSMSD-UHFFFAOYSA-N -1 0 355.376 -0.060 20 0 FBADRM NC(=O)C1CCN(C(=O)C2CCN(C(=O)C3CN(C(=O)[O-])C3)CC2)CC1 ZINC000833979044 605641888 /nfs/dbraw/zinc/64/18/88/605641888.db2.gz BTCWAHICSQPLMU-UHFFFAOYSA-N -1 0 366.418 -0.441 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CCC(CN2CCCCC2=O)CC1 ZINC000833979583 605758348 /nfs/dbraw/zinc/75/83/48/605758348.db2.gz HAUSUEDLVPNXBV-GFCCVEGCSA-N -1 0 354.407 -0.251 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CCC(CN2CCCCC2=O)CC1 ZINC000833979584 605758637 /nfs/dbraw/zinc/75/86/37/605758637.db2.gz HAUSUEDLVPNXBV-LBPRGKRZSA-N -1 0 354.407 -0.251 20 0 FBADRM NC(=O)[C@@H]1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)c2ccccc21 ZINC000833979862 605557798 /nfs/dbraw/zinc/55/77/98/605557798.db2.gz ITARZMRFFLPITG-GFCCVEGCSA-N -1 0 360.370 -0.186 20 0 FBADRM NC(=O)[C@H]1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)c2ccccc21 ZINC000833979863 605557770 /nfs/dbraw/zinc/55/77/70/605557770.db2.gz ITARZMRFFLPITG-LBPRGKRZSA-N -1 0 360.370 -0.186 20 0 FBADRM NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cnc3c(c2)CN(C(=O)[O-])CC3)C1 ZINC000833979890 605932152 /nfs/dbraw/zinc/93/21/52/605932152.db2.gz DYJFVCRCTILSSA-SECBINFHSA-N -1 0 361.358 -0.610 20 0 FBADRM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cnc3c(c2)CN(C(=O)[O-])CC3)C1 ZINC000833979891 605932209 /nfs/dbraw/zinc/93/22/09/605932209.db2.gz DYJFVCRCTILSSA-VIFPVBQESA-N -1 0 361.358 -0.610 20 0 FBADRM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)C1(CNC(=O)[O-])CCOCC1 ZINC000833979935 605949627 /nfs/dbraw/zinc/94/96/27/605949627.db2.gz FWWORBFMQFEITN-LLVKDONJSA-N -1 0 371.390 -0.540 20 0 FBADRM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)C1(CNC(=O)[O-])CCOCC1 ZINC000833979936 605949500 /nfs/dbraw/zinc/94/95/00/605949500.db2.gz FWWORBFMQFEITN-NSHDSACASA-N -1 0 371.390 -0.540 20 0 FBADRM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)[C@@H](CC(F)F)NC(=O)[O-] ZINC000833979976 605321597 /nfs/dbraw/zinc/32/15/97/605321597.db2.gz HBUALPIQTBEZKJ-HTQZYQBOSA-N -1 0 351.306 -0.313 20 0 FBADRM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)[C@H](CC(F)F)NC(=O)[O-] ZINC000833979977 605320940 /nfs/dbraw/zinc/32/09/40/605320940.db2.gz HBUALPIQTBEZKJ-JGVFFNPUSA-N -1 0 351.306 -0.313 20 0 FBADRM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)[C@@H](CC(F)F)NC(=O)[O-] ZINC000833979978 605321558 /nfs/dbraw/zinc/32/15/58/605321558.db2.gz HBUALPIQTBEZKJ-SFYZADRCSA-N -1 0 351.306 -0.313 20 0 FBADRM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)[C@H](CC(F)F)NC(=O)[O-] ZINC000833979979 605321284 /nfs/dbraw/zinc/32/12/84/605321284.db2.gz HBUALPIQTBEZKJ-YUMQZZPRSA-N -1 0 351.306 -0.313 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000833980166 605748705 /nfs/dbraw/zinc/74/87/05/605748705.db2.gz KCWLFUFXQHJFLP-GFCCVEGCSA-N -1 0 354.407 -0.251 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000833980167 605748940 /nfs/dbraw/zinc/74/89/40/605748940.db2.gz KCWLFUFXQHJFLP-LBPRGKRZSA-N -1 0 354.407 -0.251 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000833980321 605753008 /nfs/dbraw/zinc/75/30/08/605753008.db2.gz KPADRGCBHDTTBD-MRVPVSSYSA-N -1 0 370.391 -0.773 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000833980323 605753056 /nfs/dbraw/zinc/75/30/56/605753056.db2.gz KPADRGCBHDTTBD-QMMMGPOBSA-N -1 0 370.391 -0.773 20 0 FBADRM NC(=O)[C@@H](Cc1ccc(F)cc1)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000833980511 605334991 /nfs/dbraw/zinc/33/49/91/605334991.db2.gz PFRRLHRIDXUXJU-CYBMUJFWSA-N -1 0 352.366 -0.366 20 0 FBADRM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1cnc(NC(=O)[O-])cn1 ZINC000833980513 606010006 /nfs/dbraw/zinc/01/00/06/606010006.db2.gz KDSNFPNSHDVNCZ-SECBINFHSA-N -1 0 351.319 -0.410 20 0 FBADRM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1cnc(NC(=O)[O-])cn1 ZINC000833980514 606010029 /nfs/dbraw/zinc/01/00/29/606010029.db2.gz KDSNFPNSHDVNCZ-VIFPVBQESA-N -1 0 351.319 -0.410 20 0 FBADRM NC(=O)[C@H](Cc1ccc(F)cc1)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000833980515 605334542 /nfs/dbraw/zinc/33/45/42/605334542.db2.gz PFRRLHRIDXUXJU-ZDUSSCGKSA-N -1 0 352.366 -0.366 20 0 FBADRM NC(=O)[C@H]1CC(C(=O)NCC2CN(C(=O)[O-])C2)=NN1c1ccc(F)cc1 ZINC000833980599 605749161 /nfs/dbraw/zinc/74/91/61/605749161.db2.gz LPKUYBZVMOKBFD-CYBMUJFWSA-N -1 0 363.349 -0.028 20 0 FBADRM NC(=O)[C@@H]1CC(C(=O)NCC2CN(C(=O)[O-])C2)=NN1c1ccc(F)cc1 ZINC000833980601 605749176 /nfs/dbraw/zinc/74/91/76/605749176.db2.gz LPKUYBZVMOKBFD-ZDUSSCGKSA-N -1 0 363.349 -0.028 20 0 FBADRM NC(=O)[C@@H](Cc1ccc(F)cc1)OC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000833980768 605644594 /nfs/dbraw/zinc/64/45/94/605644594.db2.gz QIQAEMNLYUCFOG-GFCCVEGCSA-N -1 0 367.333 -0.413 20 0 FBADRM NC(=O)[C@H](Cc1ccc(F)cc1)OC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000833980772 605644655 /nfs/dbraw/zinc/64/46/55/605644655.db2.gz QIQAEMNLYUCFOG-LBPRGKRZSA-N -1 0 367.333 -0.413 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000833980974 605666266 /nfs/dbraw/zinc/66/62/66/605666266.db2.gz RPLKMQDRXGXWIO-CYBMUJFWSA-N -1 0 362.386 -0.081 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000833980975 605665901 /nfs/dbraw/zinc/66/59/01/605665901.db2.gz RPLKMQDRXGXWIO-ZDUSSCGKSA-N -1 0 362.386 -0.081 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1cccnc1N1CCOCC1 ZINC000833981030 605667541 /nfs/dbraw/zinc/66/75/41/605667541.db2.gz BHJOXHFEXCWPOM-LLVKDONJSA-N -1 0 351.363 -0.954 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1cccnc1N1CCOCC1 ZINC000833981031 605667552 /nfs/dbraw/zinc/66/75/52/605667552.db2.gz BHJOXHFEXCWPOM-NSHDSACASA-N -1 0 351.363 -0.954 20 0 FBADRM NC(=O)C1(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)CC1 ZINC000833981191 605561847 /nfs/dbraw/zinc/56/18/47/605561847.db2.gz SHHUXZYRAIAWPI-NEPJUHHUSA-N -1 0 366.418 -0.251 20 0 FBADRM NC(=O)C1(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)CC1 ZINC000833981194 605561459 /nfs/dbraw/zinc/56/14/59/605561459.db2.gz SHHUXZYRAIAWPI-NWDGAFQWSA-N -1 0 366.418 -0.251 20 0 FBADRM NC(=O)C1(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)CC1 ZINC000833981197 605562578 /nfs/dbraw/zinc/56/25/78/605562578.db2.gz SHHUXZYRAIAWPI-RYUDHWBXSA-N -1 0 366.418 -0.251 20 0 FBADRM NC(=O)C1(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)CC1 ZINC000833981200 605562432 /nfs/dbraw/zinc/56/24/32/605562432.db2.gz SHHUXZYRAIAWPI-VXGBXAGGSA-N -1 0 366.418 -0.251 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000833981216 605753362 /nfs/dbraw/zinc/75/33/62/605753362.db2.gz SQHBIJDUHKMRJF-GFCCVEGCSA-N -1 0 354.407 -0.251 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000833981219 605753147 /nfs/dbraw/zinc/75/31/47/605753147.db2.gz SQHBIJDUHKMRJF-LBPRGKRZSA-N -1 0 354.407 -0.251 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000833981334 605758270 /nfs/dbraw/zinc/75/82/70/605758270.db2.gz UFPPQYQQNULEJC-GFCCVEGCSA-N -1 0 362.386 -0.456 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000833981338 605758571 /nfs/dbraw/zinc/75/85/71/605758571.db2.gz UFPPQYQQNULEJC-LBPRGKRZSA-N -1 0 362.386 -0.456 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000833981414 605749932 /nfs/dbraw/zinc/74/99/32/605749932.db2.gz DTMOZWSAGJDTCK-AWEZNQCLSA-N -1 0 364.402 -0.353 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000833981415 605750252 /nfs/dbraw/zinc/75/02/52/605750252.db2.gz DTMOZWSAGJDTCK-CQSZACIVSA-N -1 0 364.402 -0.353 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCOC2=O)cc1 ZINC000833981442 606020877 /nfs/dbraw/zinc/02/08/77/606020877.db2.gz FEKCENLFULHECJ-LLVKDONJSA-N -1 0 350.331 -0.229 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCOC2=O)cc1 ZINC000833981443 606021657 /nfs/dbraw/zinc/02/16/57/606021657.db2.gz FEKCENLFULHECJ-NSHDSACASA-N -1 0 350.331 -0.229 20 0 FBADRM NC(=O)[C@@H]1CN(C(=O)Nc2cnc3c(c2)C[C@@H](NC(=O)[O-])CC3)CCO1 ZINC000833981558 605365329 /nfs/dbraw/zinc/36/53/29/605365329.db2.gz VPCNFRPEPVQFKI-GWCFXTLKSA-N -1 0 363.374 -0.076 20 0 FBADRM NC(=O)[C@H]1CN(C(=O)Nc2cnc3c(c2)C[C@@H](NC(=O)[O-])CC3)CCO1 ZINC000833981561 605365560 /nfs/dbraw/zinc/36/55/60/605365560.db2.gz VPCNFRPEPVQFKI-GXFFZTMASA-N -1 0 363.374 -0.076 20 0 FBADRM NC(=O)[C@@H]1CN(C(=O)Nc2cnc3c(c2)C[C@H](NC(=O)[O-])CC3)CCO1 ZINC000833981564 605365633 /nfs/dbraw/zinc/36/56/33/605365633.db2.gz VPCNFRPEPVQFKI-MFKMUULPSA-N -1 0 363.374 -0.076 20 0 FBADRM NC(=O)[C@H]1CN(C(=O)Nc2cnc3c(c2)C[C@H](NC(=O)[O-])CC3)CCO1 ZINC000833981567 605365259 /nfs/dbraw/zinc/36/52/59/605365259.db2.gz VPCNFRPEPVQFKI-ZWNOBZJWSA-N -1 0 363.374 -0.076 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000833981582 605751904 /nfs/dbraw/zinc/75/19/04/605751904.db2.gz VRQUONRTSNZRBR-MRVPVSSYSA-N -1 0 368.312 -0.585 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000833981586 605752259 /nfs/dbraw/zinc/75/22/59/605752259.db2.gz VRQUONRTSNZRBR-QMMMGPOBSA-N -1 0 368.312 -0.585 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000833981723 605755600 /nfs/dbraw/zinc/75/56/00/605755600.db2.gz WZNUTEJZMUXKSF-LLVKDONJSA-N -1 0 368.415 -0.020 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000833981726 605755696 /nfs/dbraw/zinc/75/56/96/605755696.db2.gz WZNUTEJZMUXKSF-NSHDSACASA-N -1 0 368.415 -0.020 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1ccccc1CN1CCCC1=O ZINC000833981824 605752595 /nfs/dbraw/zinc/75/25/95/605752595.db2.gz HEFDMXHUWUPBES-CYBMUJFWSA-N -1 0 362.386 -0.063 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1ccccc1CN1CCCC1=O ZINC000833981825 605752497 /nfs/dbraw/zinc/75/24/97/605752497.db2.gz HEFDMXHUWUPBES-ZDUSSCGKSA-N -1 0 362.386 -0.063 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000833982298 605752405 /nfs/dbraw/zinc/75/24/05/605752405.db2.gz KVZVLMZCSXPJOE-LLVKDONJSA-N -1 0 351.363 -0.954 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000833982299 605752619 /nfs/dbraw/zinc/75/26/19/605752619.db2.gz KVZVLMZCSXPJOE-NSHDSACASA-N -1 0 351.363 -0.954 20 0 FBADRM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)CCOC1CN(C(=O)[O-])C1 ZINC000833982457 606102817 /nfs/dbraw/zinc/10/28/17/606102817.db2.gz VXBKYEIZNNJUDE-LLVKDONJSA-N -1 0 357.363 -0.835 20 0 FBADRM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)CCOC1CN(C(=O)[O-])C1 ZINC000833982458 606102665 /nfs/dbraw/zinc/10/26/65/606102665.db2.gz VXBKYEIZNNJUDE-NSHDSACASA-N -1 0 357.363 -0.835 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2cnn([C@@H]3CCCN(C(=O)[O-])C3)c2)O1 ZINC000833982463 605562277 /nfs/dbraw/zinc/56/22/77/605562277.db2.gz WDLACLHTDVTTKI-AGIUHOORSA-N -1 0 365.390 -0.039 20 0 FBADRM NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2cnn([C@H]3CCCN(C(=O)[O-])C3)c2)O1 ZINC000833982464 605562398 /nfs/dbraw/zinc/56/23/98/605562398.db2.gz WDLACLHTDVTTKI-AVGNSLFASA-N -1 0 365.390 -0.039 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)c2cnn([C@@H]3CCCN(C(=O)[O-])C3)c2)O1 ZINC000833982465 605562551 /nfs/dbraw/zinc/56/25/51/605562551.db2.gz WDLACLHTDVTTKI-UPJWGTAASA-N -1 0 365.390 -0.039 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](CNC(=O)c2cnn([C@H]3CCCN(C(=O)[O-])C3)c2)O1 ZINC000833982466 605562537 /nfs/dbraw/zinc/56/25/37/605562537.db2.gz WDLACLHTDVTTKI-XQQFMLRXSA-N -1 0 365.390 -0.039 20 0 FBADRM NC(=O)C1(c2ccccc2)CCN(C(=O)CNC(=O)CNC(=O)[O-])CC1 ZINC000833982485 605370024 /nfs/dbraw/zinc/37/00/24/605370024.db2.gz WKWUOEJDEBUQAP-UHFFFAOYSA-N -1 0 362.386 -0.584 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000833982507 605753430 /nfs/dbraw/zinc/75/34/30/605753430.db2.gz LNKNNQCLJNUBGK-CYBMUJFWSA-N -1 0 362.386 -0.063 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000833982508 605753349 /nfs/dbraw/zinc/75/33/49/605753349.db2.gz LNKNNQCLJNUBGK-ZDUSSCGKSA-N -1 0 362.386 -0.063 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000833982653 605389494 /nfs/dbraw/zinc/38/94/94/605389494.db2.gz BPNJOZFTKRWQBD-CYBMUJFWSA-N -1 0 350.375 -0.031 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000833982654 605389581 /nfs/dbraw/zinc/38/95/81/605389581.db2.gz BPNJOZFTKRWQBD-ZDUSSCGKSA-N -1 0 350.375 -0.031 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 ZINC000833982683 605667563 /nfs/dbraw/zinc/66/75/63/605667563.db2.gz BYUZOYVEAPIKHJ-LLVKDONJSA-N -1 0 362.342 -0.214 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 ZINC000833982686 605667486 /nfs/dbraw/zinc/66/74/86/605667486.db2.gz BYUZOYVEAPIKHJ-NSHDSACASA-N -1 0 362.342 -0.214 20 0 FBADRM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(OCCNC(=O)[O-])cc2)C1 ZINC000833982766 605570922 /nfs/dbraw/zinc/57/09/22/605570922.db2.gz YSWLICSHJPJZTK-JTQLQIEISA-N -1 0 364.358 -0.395 20 0 FBADRM NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OCCNC(=O)[O-])cc2)C1 ZINC000833982767 605571167 /nfs/dbraw/zinc/57/11/67/605571167.db2.gz YSWLICSHJPJZTK-SNVBAGLBSA-N -1 0 364.358 -0.395 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)N[C@H](CC(N)=O)c1cccc(Cl)c1 ZINC000833982871 605496990 /nfs/dbraw/zinc/49/69/90/605496990.db2.gz PABRIEWEEPAHGI-NXEZZACHSA-N -1 0 356.766 -0.116 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[O-])c1cccc(Cl)c1 ZINC000833982872 605496923 /nfs/dbraw/zinc/49/69/23/605496923.db2.gz PABRIEWEEPAHGI-ZJUUUORDSA-N -1 0 356.766 -0.116 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000833982982 605752303 /nfs/dbraw/zinc/75/23/03/605752303.db2.gz DNTXTRFOVWQIFK-JTQLQIEISA-N -1 0 363.330 -0.812 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000833982983 605752395 /nfs/dbraw/zinc/75/23/95/605752395.db2.gz DNTXTRFOVWQIFK-SNVBAGLBSA-N -1 0 363.330 -0.812 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(Cn2cccnc2=O)c1 ZINC000833983006 605753089 /nfs/dbraw/zinc/75/30/89/605753089.db2.gz DVYIPNJUZUHTEL-GFCCVEGCSA-N -1 0 359.342 -0.258 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1cccc(Cn2cccnc2=O)c1 ZINC000833983007 605753307 /nfs/dbraw/zinc/75/33/07/605753307.db2.gz DVYIPNJUZUHTEL-LBPRGKRZSA-N -1 0 359.342 -0.258 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1cccc(CN2CCCC2=O)c1 ZINC000833983102 605752410 /nfs/dbraw/zinc/75/24/10/605752410.db2.gz RDPXHYDZEJRFJM-CYBMUJFWSA-N -1 0 362.386 -0.063 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1cccc(CN2CCCC2=O)c1 ZINC000833983103 605752611 /nfs/dbraw/zinc/75/26/11/605752611.db2.gz RDPXHYDZEJRFJM-ZDUSSCGKSA-N -1 0 362.386 -0.063 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000833983108 605750189 /nfs/dbraw/zinc/75/01/89/605750189.db2.gz RFMCDRDJXDNDOQ-SSDOTTSWSA-N -1 0 374.279 -0.124 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000833983109 605750412 /nfs/dbraw/zinc/75/04/12/605750412.db2.gz RFMCDRDJXDNDOQ-ZETCQYMHSA-N -1 0 374.279 -0.124 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1ccccc1CN1CCOCC1 ZINC000833983118 605666261 /nfs/dbraw/zinc/66/62/61/605666261.db2.gz RJRGHHIGTYTJOQ-AWEZNQCLSA-N -1 0 364.402 -0.353 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1ccccc1CN1CCOCC1 ZINC000833983119 605665870 /nfs/dbraw/zinc/66/58/70/605665870.db2.gz RJRGHHIGTYTJOQ-CQSZACIVSA-N -1 0 364.402 -0.353 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000833983138 605667344 /nfs/dbraw/zinc/66/73/44/605667344.db2.gz SDKUKAXAUXVWCD-AWEZNQCLSA-N -1 0 364.402 -0.353 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000833983139 605667879 /nfs/dbraw/zinc/66/78/79/605667879.db2.gz SDKUKAXAUXVWCD-CQSZACIVSA-N -1 0 364.402 -0.353 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000833983259 605767362 /nfs/dbraw/zinc/76/73/62/605767362.db2.gz GEDALKPKPHSAQB-GFCCVEGCSA-N -1 0 364.358 -0.391 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000833983260 605767508 /nfs/dbraw/zinc/76/75/08/605767508.db2.gz GEDALKPKPHSAQB-LBPRGKRZSA-N -1 0 364.358 -0.391 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000833983314 605760674 /nfs/dbraw/zinc/76/06/74/605760674.db2.gz HCGXZMPKZNQZQQ-GXSJLCMTSA-N -1 0 362.342 -0.658 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000833983316 605760917 /nfs/dbraw/zinc/76/09/17/605760917.db2.gz HCGXZMPKZNQZQQ-KOLCDFICSA-N -1 0 362.342 -0.658 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000833983317 605760606 /nfs/dbraw/zinc/76/06/06/605760606.db2.gz HCGXZMPKZNQZQQ-MWLCHTKSSA-N -1 0 362.342 -0.658 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000833983318 605760742 /nfs/dbraw/zinc/76/07/42/605760742.db2.gz HCGXZMPKZNQZQQ-ONGXEEELSA-N -1 0 362.342 -0.658 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000833983356 605757109 /nfs/dbraw/zinc/75/71/09/605757109.db2.gz SLRSORBYXKWZAR-SECBINFHSA-N -1 0 350.310 -0.261 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000833983357 605757039 /nfs/dbraw/zinc/75/70/39/605757039.db2.gz SLRSORBYXKWZAR-VIFPVBQESA-N -1 0 350.310 -0.261 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000833983412 605751181 /nfs/dbraw/zinc/75/11/81/605751181.db2.gz UISXDQKZROGKLF-LLVKDONJSA-N -1 0 351.363 -0.954 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000833983413 605750951 /nfs/dbraw/zinc/75/09/51/605750951.db2.gz UISXDQKZROGKLF-NSHDSACASA-N -1 0 351.363 -0.954 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1cccc(N2CCOC2=O)c1 ZINC000833983420 605754104 /nfs/dbraw/zinc/75/41/04/605754104.db2.gz UTXZTERNIXEDLY-LLVKDONJSA-N -1 0 350.331 -0.229 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1cccc(N2CCOC2=O)c1 ZINC000833983421 605753845 /nfs/dbraw/zinc/75/38/45/605753845.db2.gz UTXZTERNIXEDLY-NSHDSACASA-N -1 0 350.331 -0.229 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000833983473 605667941 /nfs/dbraw/zinc/66/79/41/605667941.db2.gz HPRMCARJGFWCRO-GFCCVEGCSA-N -1 0 364.358 -0.391 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000833983474 605668231 /nfs/dbraw/zinc/66/82/31/605668231.db2.gz HPRMCARJGFWCRO-LBPRGKRZSA-N -1 0 364.358 -0.391 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccccc1CN1C(=O)CCC1=O ZINC000833983532 605427904 /nfs/dbraw/zinc/42/79/04/605427904.db2.gz IBEJFZQIHOFIIB-LLVKDONJSA-N -1 0 362.342 -0.214 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccccc1CN1C(=O)CCC1=O ZINC000833983533 605428099 /nfs/dbraw/zinc/42/80/99/605428099.db2.gz IBEJFZQIHOFIIB-NSHDSACASA-N -1 0 362.342 -0.214 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000833983557 605752638 /nfs/dbraw/zinc/75/26/38/605752638.db2.gz IMEVSDCUFMNTIK-LLVKDONJSA-N -1 0 370.387 -0.323 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000833983559 605752566 /nfs/dbraw/zinc/75/25/66/605752566.db2.gz IMEVSDCUFMNTIK-NSHDSACASA-N -1 0 370.387 -0.323 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000833983597 605395116 /nfs/dbraw/zinc/39/51/16/605395116.db2.gz JCJSIFDDYGAFPN-LLVKDONJSA-N -1 0 370.387 -0.423 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000833983601 605395340 /nfs/dbraw/zinc/39/53/40/605395340.db2.gz JCJSIFDDYGAFPN-NSHDSACASA-N -1 0 370.387 -0.423 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC000833983665 605762472 /nfs/dbraw/zinc/76/24/72/605762472.db2.gz VYLGTHRGGRBQKO-JTQLQIEISA-N -1 0 355.372 -0.856 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC000833983666 605762715 /nfs/dbraw/zinc/76/27/15/605762715.db2.gz VYLGTHRGGRBQKO-SNVBAGLBSA-N -1 0 355.372 -0.856 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1ccccc1N1CCOCC1 ZINC000833983724 605753737 /nfs/dbraw/zinc/75/37/37/605753737.db2.gz WWTNSDBXJIDRDD-GFCCVEGCSA-N -1 0 350.375 -0.349 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1ccccc1N1CCOCC1 ZINC000833983725 605754199 /nfs/dbraw/zinc/75/41/99/605754199.db2.gz WWTNSDBXJIDRDD-LBPRGKRZSA-N -1 0 350.375 -0.349 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1nc(CN2CCOCC2)cs1 ZINC000833983814 605666269 /nfs/dbraw/zinc/66/62/69/605666269.db2.gz KNBMRKNPQDJTMT-SECBINFHSA-N -1 0 357.392 -0.575 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1nc(CN2CCOCC2)cs1 ZINC000833983816 605666229 /nfs/dbraw/zinc/66/62/29/605666229.db2.gz KNBMRKNPQDJTMT-VIFPVBQESA-N -1 0 357.392 -0.575 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCCc1csc(N2CCCC2)n1 ZINC000833983840 605669529 /nfs/dbraw/zinc/66/95/29/605669529.db2.gz XQLGBFGTLJTVQF-JTQLQIEISA-N -1 0 355.420 -0.086 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCCc1csc(N2CCCC2)n1 ZINC000833983842 605670008 /nfs/dbraw/zinc/67/00/08/605670008.db2.gz XQLGBFGTLJTVQF-SNVBAGLBSA-N -1 0 355.420 -0.086 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1cccn(CC(F)(F)F)c1=O ZINC000833983889 605503621 /nfs/dbraw/zinc/50/36/21/605503621.db2.gz LHHCPCGFBFXWQQ-SSDOTTSWSA-N -1 0 350.253 -0.139 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1cccn(CC(F)(F)F)c1=O ZINC000833983895 605503818 /nfs/dbraw/zinc/50/38/18/605503818.db2.gz LHHCPCGFBFXWQQ-ZETCQYMHSA-N -1 0 350.253 -0.139 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1cc(F)ccc1N1CCOCC1 ZINC000833983995 605761111 /nfs/dbraw/zinc/76/11/11/605761111.db2.gz ZKEIXWHWCKCYJG-GFCCVEGCSA-N -1 0 368.365 -0.210 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1cc(F)ccc1N1CCOCC1 ZINC000833983996 605760942 /nfs/dbraw/zinc/76/09/42/605760942.db2.gz ZKEIXWHWCKCYJG-LBPRGKRZSA-N -1 0 368.365 -0.210 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1ccnc(OC2CCOCC2)c1 ZINC000833984005 605759355 /nfs/dbraw/zinc/75/93/55/605759355.db2.gz ZKYNUSHMZWPPFY-GFCCVEGCSA-N -1 0 366.374 -0.233 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1ccnc(OC2CCOCC2)c1 ZINC000833984007 605759112 /nfs/dbraw/zinc/75/91/12/605759112.db2.gz ZKYNUSHMZWPPFY-LBPRGKRZSA-N -1 0 366.374 -0.233 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000833984066 605409651 /nfs/dbraw/zinc/40/96/51/605409651.db2.gz LTHFNKTUDIRAJH-JTQLQIEISA-N -1 0 363.330 -0.812 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000833984067 605409233 /nfs/dbraw/zinc/40/92/33/605409233.db2.gz LTHFNKTUDIRAJH-SNVBAGLBSA-N -1 0 363.330 -0.812 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1 ZINC000833984078 605880832 /nfs/dbraw/zinc/88/08/32/605880832.db2.gz LWWYDNYPZCGJFH-SECBINFHSA-N -1 0 350.310 -0.015 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1 ZINC000833984079 605880463 /nfs/dbraw/zinc/88/04/63/605880463.db2.gz LWWYDNYPZCGJFH-VIFPVBQESA-N -1 0 350.310 -0.015 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(CN2CCOCC2)c1 ZINC000833984090 605668076 /nfs/dbraw/zinc/66/80/76/605668076.db2.gz MBKLTSOFSNKSEF-CYBMUJFWSA-N -1 0 350.375 -0.031 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1cccc(CN2CCOCC2)c1 ZINC000833984091 605668298 /nfs/dbraw/zinc/66/82/98/605668298.db2.gz MBKLTSOFSNKSEF-ZDUSSCGKSA-N -1 0 350.375 -0.031 20 0 FBADRM NC(=O)CN1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[O-])CC1 ZINC000833984295 605901965 /nfs/dbraw/zinc/90/19/65/605901965.db2.gz BNJJBVPPGJSDGA-HNNXBMFYSA-N -1 0 373.413 -0.024 20 0 FBADRM NC(=O)CNC(=O)c1ccc(CNC(=O)c2cnc(NC(=O)[O-])cn2)cc1 ZINC000833984326 606000899 /nfs/dbraw/zinc/00/08/99/606000899.db2.gz CVUXPAGQCXEILI-UHFFFAOYSA-N -1 0 372.341 -0.288 20 0 FBADRM NC(=O)CNC(=O)c1cccc(NC(=O)CCOC2CN(C(=O)[O-])C2)c1 ZINC000833984539 606080674 /nfs/dbraw/zinc/08/06/74/606080674.db2.gz FTTVVJZIASKQKZ-UHFFFAOYSA-N -1 0 364.358 -0.391 20 0 FBADRM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NCCNC(=O)[O-] ZINC000833984628 605366067 /nfs/dbraw/zinc/36/60/67/605366067.db2.gz HBXZLBHMQIZPPE-UHFFFAOYSA-N -1 0 351.768 -0.250 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(CN2CCOCC2)n1 ZINC000833984696 605450071 /nfs/dbraw/zinc/45/00/71/605450071.db2.gz SRWGYJJCTORTTM-LLVKDONJSA-N -1 0 351.363 -0.636 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1cccc(CN2CCOCC2)n1 ZINC000833984697 605449798 /nfs/dbraw/zinc/44/97/98/605449798.db2.gz SRWGYJJCTORTTM-NSHDSACASA-N -1 0 351.363 -0.636 20 0 FBADRM NC(=O)COc1ccc(NC(=O)C(=O)NCC2CN(C(=O)[O-])C2)cc1 ZINC000833984890 605780328 /nfs/dbraw/zinc/78/03/28/605780328.db2.gz KNWFDYWFDVVETF-UHFFFAOYSA-N -1 0 350.331 -0.785 20 0 FBADRM NC(=O)COc1ccc(NC(=O)C(=O)NC[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000833985111 605632176 /nfs/dbraw/zinc/63/21/76/605632176.db2.gz NHSXMXDLAFJBEA-JTQLQIEISA-N -1 0 364.358 -0.395 20 0 FBADRM NC(=O)COc1ccc(NC(=O)C(=O)NC[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000833985113 605632376 /nfs/dbraw/zinc/63/23/76/605632376.db2.gz NHSXMXDLAFJBEA-SNVBAGLBSA-N -1 0 364.358 -0.395 20 0 FBADRM NC(=O)CNC(=O)c1ccc(NC(=O)CCOC2CN(C(=O)[O-])C2)cc1 ZINC000833985146 606082316 /nfs/dbraw/zinc/08/23/16/606082316.db2.gz NWLVXGXIFDBYOB-UHFFFAOYSA-N -1 0 364.358 -0.391 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000833985380 605751209 /nfs/dbraw/zinc/75/12/09/605751209.db2.gz ZBEWKHDLEGSJNS-LLVKDONJSA-N -1 0 370.387 -0.323 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000833985381 605751161 /nfs/dbraw/zinc/75/11/61/605751161.db2.gz ZBEWKHDLEGSJNS-NSHDSACASA-N -1 0 370.387 -0.323 20 0 FBADRM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000833985496 605756103 /nfs/dbraw/zinc/75/61/03/605756103.db2.gz ZNZLWUKGGZGIOH-LLVKDONJSA-N -1 0 366.378 -0.608 20 0 FBADRM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000833985498 605756200 /nfs/dbraw/zinc/75/62/00/605756200.db2.gz ZNZLWUKGGZGIOH-NSHDSACASA-N -1 0 366.378 -0.608 20 0 FBADRM NC(=O)CNC(=S)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000833985861 605400376 /nfs/dbraw/zinc/40/03/76/605400376.db2.gz YXNYHCQOOVZJBC-GHMZBOCLSA-N -1 0 371.463 -0.683 20 0 FBADRM NC(=O)CNC(=S)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833985862 605399762 /nfs/dbraw/zinc/39/97/62/605399762.db2.gz YXNYHCQOOVZJBC-MNOVXSKESA-N -1 0 371.463 -0.683 20 0 FBADRM NC(=O)CNC(=S)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833985863 605399818 /nfs/dbraw/zinc/39/98/18/605399818.db2.gz YXNYHCQOOVZJBC-QWRGUYRKSA-N -1 0 371.463 -0.683 20 0 FBADRM NC(=O)CNC(=S)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000833985864 605399747 /nfs/dbraw/zinc/39/97/47/605399747.db2.gz YXNYHCQOOVZJBC-WDEREUQCSA-N -1 0 371.463 -0.683 20 0 FBADRM NC(=O)COc1ccc(NC(=O)C(=O)NCC2(NC(=O)[O-])CCC2)cc1 ZINC000833985871 605600851 /nfs/dbraw/zinc/60/08/51/605600851.db2.gz ZJOQILFVHJWFBX-UHFFFAOYSA-N -1 0 364.358 -0.204 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)Cc2cccc(NC(=O)[O-])c2)CC1 ZINC000833985896 605844152 /nfs/dbraw/zinc/84/41/52/605844152.db2.gz ADYMVRLDEBOYGV-UHFFFAOYSA-N -1 0 370.431 -0.248 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)[C@H]2CC23CCN(C(=O)[O-])CC3)CC1 ZINC000833985897 605938253 /nfs/dbraw/zinc/93/82/53/605938253.db2.gz AGBCXYHZCMDIDS-GFCCVEGCSA-N -1 0 374.463 -0.801 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)[C@@H]2CC23CCN(C(=O)[O-])CC3)CC1 ZINC000833985898 605938296 /nfs/dbraw/zinc/93/82/96/605938296.db2.gz AGBCXYHZCMDIDS-LBPRGKRZSA-N -1 0 374.463 -0.801 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)CN3CCN(C(=O)[O-])CC3=O)cc21 ZINC000833985939 605583225 /nfs/dbraw/zinc/58/32/25/605583225.db2.gz BQLDECMIYDPFCX-UHFFFAOYSA-N -1 0 360.330 -0.578 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N3CC[C@@H](NC(=O)[O-])C3)cc21 ZINC000833986007 605612869 /nfs/dbraw/zinc/61/28/69/605612869.db2.gz DUZQINGGGUKXHO-MRVPVSSYSA-N -1 0 360.330 -0.531 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N3CC[C@H](NC(=O)[O-])C3)cc21 ZINC000833986008 605612892 /nfs/dbraw/zinc/61/28/92/605612892.db2.gz DUZQINGGGUKXHO-QMMMGPOBSA-N -1 0 360.330 -0.531 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)NC[C@H]3CCN(C(=O)[O-])C3)cc21 ZINC000833986028 605636753 /nfs/dbraw/zinc/63/67/53/605636753.db2.gz FJXJKJHNXXNAIB-MRVPVSSYSA-N -1 0 374.357 -0.284 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)NC[C@@H]3CCN(C(=O)[O-])C3)cc21 ZINC000833986029 605636645 /nfs/dbraw/zinc/63/66/45/605636645.db2.gz FJXJKJHNXXNAIB-QMMMGPOBSA-N -1 0 374.357 -0.284 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)NC3CCN(C(=O)[O-])CC3)cc21 ZINC000833986034 605608499 /nfs/dbraw/zinc/60/84/99/605608499.db2.gz FQMIHKFJIQCNER-UHFFFAOYSA-N -1 0 374.357 -0.141 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N[C@H](CNC(=O)[O-])C3CC3)cc21 ZINC000833986044 605608724 /nfs/dbraw/zinc/60/87/24/605608724.db2.gz FYZAKOZFLCWRRJ-LLVKDONJSA-N -1 0 374.357 -0.237 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N[C@@H](CNC(=O)[O-])C3CC3)cc21 ZINC000833986045 605608467 /nfs/dbraw/zinc/60/84/67/605608467.db2.gz FYZAKOZFLCWRRJ-NSHDSACASA-N -1 0 374.357 -0.237 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N3CCCN(C(=O)[O-])CC3)cc21 ZINC000833986092 605606527 /nfs/dbraw/zinc/60/65/27/605606527.db2.gz HDESCYNNNMCIAJ-UHFFFAOYSA-N -1 0 374.357 -0.187 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N3CCC(NC(=O)[O-])CC3)cc21 ZINC000833986096 605606516 /nfs/dbraw/zinc/60/65/16/605606516.db2.gz HKBYZFAIGUDKJA-UHFFFAOYSA-N -1 0 374.357 -0.141 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)Cc2ccccc2NC(=O)[O-])CC1 ZINC000833986121 606097181 /nfs/dbraw/zinc/09/71/81/606097181.db2.gz IONWZKCYQDETBX-UHFFFAOYSA-N -1 0 370.431 -0.248 20 0 FBADRM NS(=O)(=O)CCNC(=O)Nc1cnc2c(c1)C[C@H](NC(=O)[O-])CC2 ZINC000833986158 605358581 /nfs/dbraw/zinc/35/85/81/605358581.db2.gz JOTYGWUNDQBVMX-SECBINFHSA-N -1 0 357.392 -0.384 20 0 FBADRM NS(=O)(=O)CCNC(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)[O-])CC2 ZINC000833986159 605358588 /nfs/dbraw/zinc/35/85/88/605358588.db2.gz JOTYGWUNDQBVMX-VIFPVBQESA-N -1 0 357.392 -0.384 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N3CCN(C(=O)[O-])CC3)cc21 ZINC000833986257 605606428 /nfs/dbraw/zinc/60/64/28/605606428.db2.gz MCCXSEHRIJIUOX-UHFFFAOYSA-N -1 0 360.330 -0.578 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N3CCC[C@@H](NC(=O)[O-])C3)cc21 ZINC000833986259 605608769 /nfs/dbraw/zinc/60/87/69/605608769.db2.gz MFZLUXZQHHEQTA-SECBINFHSA-N -1 0 374.357 -0.141 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N3CCC[C@H](NC(=O)[O-])C3)cc21 ZINC000833986260 605608597 /nfs/dbraw/zinc/60/85/97/605608597.db2.gz MFZLUXZQHHEQTA-VIFPVBQESA-N -1 0 374.357 -0.141 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N3CC[C@H](CNC(=O)[O-])C3)cc21 ZINC000833986274 605608515 /nfs/dbraw/zinc/60/85/15/605608515.db2.gz MUYFXPVYGVMWAS-MRVPVSSYSA-N -1 0 374.357 -0.284 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N3CC[C@@H](CNC(=O)[O-])C3)cc21 ZINC000833986275 605608791 /nfs/dbraw/zinc/60/87/91/605608791.db2.gz MUYFXPVYGVMWAS-QMMMGPOBSA-N -1 0 374.357 -0.284 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)NCCN(C(=O)[O-])C3CC3)cc21 ZINC000833986284 605608582 /nfs/dbraw/zinc/60/85/82/605608582.db2.gz NDZDTLDEUXHUFZ-UHFFFAOYSA-N -1 0 374.357 -0.141 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N3CCC[C@@H]3CNC(=O)[O-])cc21 ZINC000833986364 605609991 /nfs/dbraw/zinc/60/99/91/605609991.db2.gz PKYXCLIGGRPXMF-SECBINFHSA-N -1 0 374.357 -0.141 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N3CCC[C@H]3CNC(=O)[O-])cc21 ZINC000833986365 605609914 /nfs/dbraw/zinc/60/99/14/605609914.db2.gz PKYXCLIGGRPXMF-VIFPVBQESA-N -1 0 374.357 -0.141 20 0 FBADRM NS(=O)(=O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[O-] ZINC000833986376 605884379 /nfs/dbraw/zinc/88/43/79/605884379.db2.gz PUIPHVXQBPYHQB-LBPRGKRZSA-N -1 0 354.388 -0.249 20 0 FBADRM NS(=O)(=O)CCNC(=O)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000833986424 605922705 /nfs/dbraw/zinc/92/27/05/605922705.db2.gz QXVWAWZEKXWOJK-UHFFFAOYSA-N -1 0 356.360 -0.930 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)NCC3CN(C(=O)[O-])C3)cc21 ZINC000833986575 605780342 /nfs/dbraw/zinc/78/03/42/605780342.db2.gz SHTWSLUMDWQNJR-UHFFFAOYSA-N -1 0 360.330 -0.674 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)NC[C@@H](NC(=O)[O-])C3CC3)cc21 ZINC000833986606 605888983 /nfs/dbraw/zinc/88/89/83/605888983.db2.gz SMANQDIZSILLSI-LLVKDONJSA-N -1 0 374.357 -0.237 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)NC[C@H](NC(=O)[O-])C3CC3)cc21 ZINC000833986612 605888606 /nfs/dbraw/zinc/88/86/06/605888606.db2.gz SMANQDIZSILLSI-NSHDSACASA-N -1 0 374.357 -0.237 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)NC[C@H]3CCCN3C(=O)[O-])cc21 ZINC000833986646 605609663 /nfs/dbraw/zinc/60/96/63/605609663.db2.gz SRFDBEKHXDOAQG-SECBINFHSA-N -1 0 374.357 -0.141 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)NC[C@@H]3CCCN3C(=O)[O-])cc21 ZINC000833986649 605609487 /nfs/dbraw/zinc/60/94/87/605609487.db2.gz SRFDBEKHXDOAQG-VIFPVBQESA-N -1 0 374.357 -0.141 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)NCC3(NC(=O)[O-])CCC3)cc21 ZINC000833986674 605603542 /nfs/dbraw/zinc/60/35/42/605603542.db2.gz UBXXEGLLECNDNG-UHFFFAOYSA-N -1 0 374.357 -0.093 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N[C@@H]3CCN(C(=O)[O-])C3)cc21 ZINC000833986862 605609735 /nfs/dbraw/zinc/60/97/35/605609735.db2.gz UXERPNQUMIQHTI-MRVPVSSYSA-N -1 0 360.330 -0.531 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N[C@H]3CCN(C(=O)[O-])C3)cc21 ZINC000833986867 605609930 /nfs/dbraw/zinc/60/99/30/605609930.db2.gz UXERPNQUMIQHTI-QMMMGPOBSA-N -1 0 360.330 -0.531 20 0 FBADRM O=C([O-])N1CC(CC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000833987040 605940557 /nfs/dbraw/zinc/94/05/57/605940557.db2.gz DAEWMACHSUDAQA-JTQLQIEISA-N -1 0 362.429 -0.001 20 0 FBADRM O=C([O-])N1CC(CC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000833987042 605940533 /nfs/dbraw/zinc/94/05/33/605940533.db2.gz DAEWMACHSUDAQA-SNVBAGLBSA-N -1 0 362.429 -0.001 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)CC[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000833987222 605566897 /nfs/dbraw/zinc/56/68/97/605566897.db2.gz XYRWCHQQCAPFEH-LBPRGKRZSA-N -1 0 362.452 -0.658 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N[C@@H]3CCCN(C(=O)[O-])C3)cc21 ZINC000833987277 605609975 /nfs/dbraw/zinc/60/99/75/605609975.db2.gz YNZYRTBBORONCN-SECBINFHSA-N -1 0 374.357 -0.141 20 0 FBADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N[C@H]3CCCN(C(=O)[O-])C3)cc21 ZINC000833987280 605688717 /nfs/dbraw/zinc/68/87/17/605688717.db2.gz YNZYRTBBORONCN-VIFPVBQESA-N -1 0 374.357 -0.141 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)CC[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000833987408 605566828 /nfs/dbraw/zinc/56/68/28/605566828.db2.gz ZSIOKRBCVDXSET-GFCCVEGCSA-N -1 0 362.452 -0.801 20 0 FBADRM NS(=O)(=O)CCN1CCN(C(=O)CC[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000833987411 605567161 /nfs/dbraw/zinc/56/71/61/605567161.db2.gz ZSIOKRBCVDXSET-LBPRGKRZSA-N -1 0 362.452 -0.801 20 0 FBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)OCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000833987484 605309033 /nfs/dbraw/zinc/30/90/33/605309033.db2.gz IDDOTVMGUMAFKI-CHWSQXEVSA-N -1 0 356.375 -0.064 20 0 FBADRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000833987485 605309004 /nfs/dbraw/zinc/30/90/04/605309004.db2.gz IDDOTVMGUMAFKI-OLZOCXBDSA-N -1 0 356.375 -0.064 20 0 FBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)OCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000833987486 605309352 /nfs/dbraw/zinc/30/93/52/605309352.db2.gz IDDOTVMGUMAFKI-QWHCGFSZSA-N -1 0 356.375 -0.064 20 0 FBADRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000833987487 605308939 /nfs/dbraw/zinc/30/89/39/605308939.db2.gz IDDOTVMGUMAFKI-STQMWFEESA-N -1 0 356.375 -0.064 20 0 FBADRM O=C([O-])N1CCSC[C@H]1CC(=O)N(CCO)CCN1CCOCC1 ZINC000833988130 661159841 /nfs/dbraw/zinc/15/98/41/661159841.db2.gz NDJLYENOSYLHIF-CYBMUJFWSA-N -1 0 361.464 -0.375 20 0 FBADRM O=C([O-])N1CCSC[C@@H]1CC(=O)N(CCO)CCN1CCOCC1 ZINC000833988131 661159881 /nfs/dbraw/zinc/15/98/81/661159881.db2.gz NDJLYENOSYLHIF-ZDUSSCGKSA-N -1 0 361.464 -0.375 20 0 FBADRM O=C([O-])N1CC[C@@H](CCC(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000833989869 605497625 /nfs/dbraw/zinc/49/76/25/605497625.db2.gz KYKBLGMPYRADBC-LLVKDONJSA-N -1 0 374.419 -0.010 20 0 FBADRM O=C([O-])N1CC[C@H](CCC(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000833989870 605497635 /nfs/dbraw/zinc/49/76/35/605497635.db2.gz KYKBLGMPYRADBC-NSHDSACASA-N -1 0 374.419 -0.010 20 0 FBADRM O=C(CC[C@@H]1CCN(C(=O)[O-])C1)NCCS(=O)(=O)N1CCOCC1 ZINC000833990615 605444792 /nfs/dbraw/zinc/44/47/92/605444792.db2.gz VQJWCYFXVBMHOK-GFCCVEGCSA-N -1 0 363.436 -0.455 20 0 FBADRM O=C(CC[C@H]1CCN(C(=O)[O-])C1)NCCS(=O)(=O)N1CCOCC1 ZINC000833990616 605445079 /nfs/dbraw/zinc/44/50/79/605445079.db2.gz VQJWCYFXVBMHOK-LBPRGKRZSA-N -1 0 363.436 -0.455 20 0 FBADRM O=C(CCC1CCN(C(=O)[O-])CC1)NCC(=O)NCCN1CCOCC1 ZINC000833992273 606046194 /nfs/dbraw/zinc/04/61/94/606046194.db2.gz WGBSHNPUAANANA-UHFFFAOYSA-N -1 0 370.450 -0.279 20 0 FBADRM O=C([O-])N1CC(OCCC(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000833993335 606085466 /nfs/dbraw/zinc/08/54/66/606085466.db2.gz BVHUMYYZFKKYKT-UHFFFAOYSA-N -1 0 367.406 -0.077 20 0 FBADRM O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC1CN(C(=O)[O-])C1 ZINC000833993556 605745043 /nfs/dbraw/zinc/74/50/43/605745043.db2.gz VOAGSIIPIIKDQP-AWEZNQCLSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NCC1CN(C(=O)[O-])C1 ZINC000833993557 605745466 /nfs/dbraw/zinc/74/54/66/605745466.db2.gz VOAGSIIPIIKDQP-CQSZACIVSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N1CC(OCCC(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)C1 ZINC000833993597 606091118 /nfs/dbraw/zinc/09/11/18/606091118.db2.gz FRPLAZANUGMLPS-JTQLQIEISA-N -1 0 372.403 -0.050 20 0 FBADRM O=C([O-])N1CC(OCCC(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)C1 ZINC000833993603 606091083 /nfs/dbraw/zinc/09/10/83/606091083.db2.gz FRPLAZANUGMLPS-SNVBAGLBSA-N -1 0 372.403 -0.050 20 0 FBADRM O=C(CCOC1CN(C(=O)[O-])C1)OCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000833994065 606102767 /nfs/dbraw/zinc/10/27/67/606102767.db2.gz JWEJHXIVBRMMMA-CYBMUJFWSA-N -1 0 356.375 -0.064 20 0 FBADRM O=C(CCOC1CN(C(=O)[O-])C1)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000833994067 606102588 /nfs/dbraw/zinc/10/25/88/606102588.db2.gz JWEJHXIVBRMMMA-ZDUSSCGKSA-N -1 0 356.375 -0.064 20 0 FBADRM O=C(CCOC1CN(C(=O)[O-])C1)OCC(=O)N1CCC2(CC1)OCCO2 ZINC000833994210 606103551 /nfs/dbraw/zinc/10/35/51/606103551.db2.gz MUGDHNPLCSQZAA-UHFFFAOYSA-N -1 0 372.374 -0.336 20 0 FBADRM O=C([O-])N1CC(OCCC(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000833994313 606085656 /nfs/dbraw/zinc/08/56/56/606085656.db2.gz QLTCKGZGNGEQKV-UHFFFAOYSA-N -1 0 367.406 -0.077 20 0 FBADRM O=C([O-])N1CC(OCCC(=O)OCCn2nc3ccccn3c2=O)C1 ZINC000833994448 606103074 /nfs/dbraw/zinc/10/30/74/606103074.db2.gz SPKIVCGTNFNOLM-UHFFFAOYSA-N -1 0 350.331 -0.192 20 0 FBADRM O=C([O-])N1CC(OCCC(=O)OCCN2C(=O)c3ccncc3C2=O)C1 ZINC000833994481 606110993 /nfs/dbraw/zinc/11/09/93/606110993.db2.gz USROAZYAMDWNSY-UHFFFAOYSA-N -1 0 363.326 -0.010 20 0 FBADRM O=C([O-])N1CC(OCCC(=O)Nc2cnn(CC(=O)NC3CC3)c2)C1 ZINC000833994489 606082971 /nfs/dbraw/zinc/08/29/71/606082971.db2.gz VFFLMGMEPPUPLL-UHFFFAOYSA-N -1 0 351.363 -0.131 20 0 FBADRM O=C([O-])N1CCC[C@H]1CCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000833994715 605453502 /nfs/dbraw/zinc/45/35/02/605453502.db2.gz AKQKLQHPTUTTCS-LBPRGKRZSA-N -1 0 365.394 -0.734 20 0 FBADRM O=C(CC[C@@H]1CCCN1C(=O)[O-])NCC(=O)NCCN1CCOCC1 ZINC000833996107 605467209 /nfs/dbraw/zinc/46/72/09/605467209.db2.gz DSVAQBFCXSZCKY-ZDUSSCGKSA-N -1 0 356.423 -0.526 20 0 FBADRM O=C(CC[C@@H]1CCCN1C(=O)[O-])NCCS(=O)(=O)N1CCOCC1 ZINC000833996131 605445080 /nfs/dbraw/zinc/44/50/80/605445080.db2.gz FODNJWVWEFTSOT-LBPRGKRZSA-N -1 0 363.436 -0.313 20 0 FBADRM O=C(CN(C(=O)[O-])C1CC1)NCCS(=O)(=O)N1CCSCC1 ZINC000833997812 605966992 /nfs/dbraw/zinc/96/69/92/605966992.db2.gz KXFNKLXAIRHEPE-UHFFFAOYSA-N -1 0 351.450 -0.376 20 0 FBADRM O=C(CN(C(=O)[O-])C1CC1)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000833998498 605973437 /nfs/dbraw/zinc/97/34/37/605973437.db2.gz SPASCZXXXVMXSJ-GFCCVEGCSA-N -1 0 363.436 -0.267 20 0 FBADRM O=C(CN(C(=O)[O-])C1CC1)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000833998500 605973485 /nfs/dbraw/zinc/97/34/85/605973485.db2.gz SPASCZXXXVMXSJ-LBPRGKRZSA-N -1 0 363.436 -0.267 20 0 FBADRM O=C([O-])N(CC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)C1CC1 ZINC000833998585 605969315 /nfs/dbraw/zinc/96/93/15/605969315.db2.gz LULBUPSJKMXFLC-UHFFFAOYSA-N -1 0 372.403 -0.209 20 0 FBADRM O=C([O-])N(CC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)C1CC1 ZINC000833998624 605962534 /nfs/dbraw/zinc/96/25/34/605962534.db2.gz MKXUEDSLIBISJK-UHFFFAOYSA-N -1 0 352.391 -0.578 20 0 FBADRM O=C(CN(C(=O)[O-])C1CC1)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000833999635 605984208 /nfs/dbraw/zinc/98/42/08/605984208.db2.gz VJNONELGASJGHY-GFCCVEGCSA-N -1 0 354.407 -0.822 20 0 FBADRM O=C(CN(C(=O)[O-])C1CC1)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000833999636 605984362 /nfs/dbraw/zinc/98/43/62/605984362.db2.gz VJNONELGASJGHY-LBPRGKRZSA-N -1 0 354.407 -0.822 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)CCn3cc[nH]c(=O)c3=O)cc2C1 ZINC000834000236 605916498 /nfs/dbraw/zinc/91/64/98/605916498.db2.gz FUQDMJJMYDVKGZ-UHFFFAOYSA-N -1 0 359.342 -0.004 20 0 FBADRM O=C(CN(C(=O)[O-])C1CC1)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000834002610 605981026 /nfs/dbraw/zinc/98/10/26/605981026.db2.gz BGEXYAXLXCOMOH-UHFFFAOYSA-N -1 0 353.375 -0.247 20 0 FBADRM O=C([O-])N(CC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C1CC1 ZINC000834003666 605985485 /nfs/dbraw/zinc/98/54/85/605985485.db2.gz OLITVVLQTHUMMO-UHFFFAOYSA-N -1 0 351.363 -0.177 20 0 FBADRM O=C([O-])N(CC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C1CC1 ZINC000834003944 605968769 /nfs/dbraw/zinc/96/87/69/605968769.db2.gz TZWUWGBIQURQAJ-UHFFFAOYSA-N -1 0 351.363 -0.177 20 0 FBADRM O=C(CNC(=O)[C@H]1CC12CCN(C(=O)[O-])CC2)NCCN1CCOCC1 ZINC000834004451 605964000 /nfs/dbraw/zinc/96/40/00/605964000.db2.gz BIYCCBPKMDXYHV-CYBMUJFWSA-N -1 0 368.434 -0.669 20 0 FBADRM O=C(CNC(=O)[C@@H]1CC12CCN(C(=O)[O-])CC2)NCCN1CCOCC1 ZINC000834004452 605964163 /nfs/dbraw/zinc/96/41/63/605964163.db2.gz BIYCCBPKMDXYHV-ZDUSSCGKSA-N -1 0 368.434 -0.669 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NCCCc1nnc2n1CCCC2 ZINC000834004477 605790474 /nfs/dbraw/zinc/79/04/74/605790474.db2.gz BIHFYVNMQGKPKH-UHFFFAOYSA-N -1 0 364.406 -0.515 20 0 FBADRM O=C([O-])N1CCN(CC(=O)Nc2c[nH]cc(Br)c2=O)C(=O)C1 ZINC000834004530 605617516 /nfs/dbraw/zinc/61/75/16/605617516.db2.gz CFLCRUFJWTXCRT-UHFFFAOYSA-N -1 0 373.163 -0.102 20 0 FBADRM O=C([O-])N1CCN(CC(=O)OCCCNC(=O)C(F)(F)F)C(=O)C1 ZINC000834004747 605955023 /nfs/dbraw/zinc/95/50/23/605955023.db2.gz FWZANSJNEKGVPF-UHFFFAOYSA-N -1 0 355.269 -0.580 20 0 FBADRM O=C([O-])N1CCC(Nc2ccccc2)(C(=O)NCC(=O)NCCO)CC1 ZINC000834004790 605620672 /nfs/dbraw/zinc/62/06/72/605620672.db2.gz HKUODLLOYFMBDC-UHFFFAOYSA-N -1 0 364.402 -0.164 20 0 FBADRM O=C([O-])N1CCN(CC(=O)OC2CCN(c3ccncn3)CC2)C(=O)C1 ZINC000834004830 605949153 /nfs/dbraw/zinc/94/91/53/605949153.db2.gz ILYBEUYNXRERCT-UHFFFAOYSA-N -1 0 363.374 -0.189 20 0 FBADRM O=C([O-])N(CC(=O)N1CCN(CC(=O)Nc2nncs2)CC1)C1CC1 ZINC000834004854 605984810 /nfs/dbraw/zinc/98/48/10/605984810.db2.gz JIQPQSCESFFMQY-UHFFFAOYSA-N -1 0 368.419 -0.237 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N[C@@H](CO)Cc2ccc(F)cc2)C(=O)C1 ZINC000834005302 605396402 /nfs/dbraw/zinc/39/64/02/605396402.db2.gz LKAWDRUDTRTZQO-CYBMUJFWSA-N -1 0 353.350 -0.333 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N[C@H](CO)Cc2ccc(F)cc2)C(=O)C1 ZINC000834005303 605396078 /nfs/dbraw/zinc/39/60/78/605396078.db2.gz LKAWDRUDTRTZQO-ZDUSSCGKSA-N -1 0 353.350 -0.333 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)NCC(=O)NCC3CC3)nn2)CC1 ZINC000834005364 605403613 /nfs/dbraw/zinc/40/36/13/605403613.db2.gz OUAJHAPPFOAXJY-UHFFFAOYSA-N -1 0 350.379 -0.151 20 0 FBADRM O=C([O-])N1CC(CNC(=O)CNC(=O)c2cnc3ccccc3c2O)C1 ZINC000834005367 605781962 /nfs/dbraw/zinc/78/19/62/605781962.db2.gz OXZQYJGBPVLHHW-UHFFFAOYSA-N -1 0 358.354 -0.016 20 0 FBADRM O=C([O-])N(CC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C1CC1 ZINC000834005580 605962102 /nfs/dbraw/zinc/96/21/02/605962102.db2.gz NDIJNELLSFDNSB-UHFFFAOYSA-N -1 0 354.407 -0.868 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N[C@H](CO)C[C@H](O)c2ccccc2)C(=O)C1 ZINC000834005691 605709928 /nfs/dbraw/zinc/70/99/28/605709928.db2.gz OFSAWBXCZYVVHS-KBPBESRZSA-N -1 0 365.386 -0.591 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)C(=O)C1 ZINC000834005694 605709564 /nfs/dbraw/zinc/70/95/64/605709564.db2.gz OFSAWBXCZYVVHS-KGLIPLIRSA-N -1 0 365.386 -0.591 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)C(=O)C1 ZINC000834005695 605709719 /nfs/dbraw/zinc/70/97/19/605709719.db2.gz OFSAWBXCZYVVHS-UONOGXRCSA-N -1 0 365.386 -0.591 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)C(=O)C1 ZINC000834005696 605709520 /nfs/dbraw/zinc/70/95/20/605709520.db2.gz OFSAWBXCZYVVHS-ZIAGYGMSSA-N -1 0 365.386 -0.591 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N[C@H](CO)c2c(F)cccc2F)C(=O)C1 ZINC000834005998 605720091 /nfs/dbraw/zinc/72/00/91/605720091.db2.gz QNDHMAZJKLRLDF-LLVKDONJSA-N -1 0 357.313 -0.063 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N[C@@H](CO)c2c(F)cccc2F)C(=O)C1 ZINC000834006008 605720227 /nfs/dbraw/zinc/72/02/27/605720227.db2.gz QNDHMAZJKLRLDF-NSHDSACASA-N -1 0 357.313 -0.063 20 0 FBADRM O=C([O-])N(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CC1 ZINC000834006025 605961160 /nfs/dbraw/zinc/96/11/60/605961160.db2.gz RALGNSNHLGTHNJ-UHFFFAOYSA-N -1 0 354.407 -0.868 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)C(=O)NCC(=O)NC3CC3)cc2C1 ZINC000834006078 605922279 /nfs/dbraw/zinc/92/22/79/605922279.db2.gz SDAZHVSCACEBKV-UHFFFAOYSA-N -1 0 361.358 -0.549 20 0 FBADRM O=C(CN1CCN(C(=O)CCOC2CN(C(=O)[O-])C2)CC1)NC1CC1 ZINC000834006142 606109630 /nfs/dbraw/zinc/10/96/30/606109630.db2.gz UHKMAIVJCWIUKV-UHFFFAOYSA-N -1 0 354.407 -0.822 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)C(=O)C1 ZINC000834006162 605939563 /nfs/dbraw/zinc/93/95/63/605939563.db2.gz ULCFWPXDSIZVRI-GFCCVEGCSA-N -1 0 364.333 -0.521 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)C(=O)C1 ZINC000834006164 605939472 /nfs/dbraw/zinc/93/94/72/605939472.db2.gz ULCFWPXDSIZVRI-LBPRGKRZSA-N -1 0 364.333 -0.521 20 0 FBADRM O=C(CN1CCN(C(=O)[O-])CC1=O)NCCC1CCS(=O)(=O)CC1 ZINC000834006166 605507616 /nfs/dbraw/zinc/50/76/16/605507616.db2.gz ULHUXEFLDJYHNB-UHFFFAOYSA-N -1 0 361.420 -0.860 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)CN3CCS(=O)(=O)CC3)cc2C1 ZINC000834006645 605916422 /nfs/dbraw/zinc/91/64/22/605916422.db2.gz XPGQNQZKNVHDTE-UHFFFAOYSA-N -1 0 368.415 -0.213 20 0 FBADRM O=C([O-])N(CC(=O)NCCNS(=O)(=O)c1cccnc1)CC1CC1 ZINC000834006813 605625124 /nfs/dbraw/zinc/62/51/24/605625124.db2.gz ODYPCHCSNWMDRA-UHFFFAOYSA-N -1 0 356.404 -0.134 20 0 FBADRM O=C([O-])N1CC[C@@H](CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 ZINC000834007001 605582965 /nfs/dbraw/zinc/58/29/65/605582965.db2.gz IDCGGWCXNTVMHW-JTQLQIEISA-N -1 0 367.383 -0.053 20 0 FBADRM O=C([O-])N1CC[C@H](CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 ZINC000834007004 605582824 /nfs/dbraw/zinc/58/28/24/605582824.db2.gz IDCGGWCXNTVMHW-SNVBAGLBSA-N -1 0 367.383 -0.053 20 0 FBADRM O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NCC1CN(C(=O)[O-])C1 ZINC000834007376 605781899 /nfs/dbraw/zinc/78/18/99/605781899.db2.gz SLXZXYPUVVJTTN-UHFFFAOYSA-N -1 0 369.399 -0.279 20 0 FBADRM O=C([O-])N1CCC[C@H]1CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000834007401 605536973 /nfs/dbraw/zinc/53/69/73/605536973.db2.gz LSQCDOVVOFEJGQ-LBPRGKRZSA-N -1 0 352.391 -0.578 20 0 FBADRM O=C([O-])N1CC(CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 ZINC000834007962 605759790 /nfs/dbraw/zinc/75/97/90/605759790.db2.gz PPZDQGBCFZJXAE-UHFFFAOYSA-N -1 0 353.356 -0.443 20 0 FBADRM O=C(CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O)N[C@@H]1CCSC1=O ZINC000834008311 605574715 /nfs/dbraw/zinc/57/47/15/605574715.db2.gz VPMOXAICFPXPRQ-MRVPVSSYSA-N -1 0 370.387 -0.801 20 0 FBADRM O=C(CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O)N[C@H]1CCSC1=O ZINC000834008313 605574935 /nfs/dbraw/zinc/57/49/35/605574935.db2.gz VPMOXAICFPXPRQ-QMMMGPOBSA-N -1 0 370.387 -0.801 20 0 FBADRM O=C(COC1CN(C(=O)[O-])C1)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000834009161 606005391 /nfs/dbraw/zinc/00/53/91/606005391.db2.gz BVBAWTZVDNQVIZ-HZMBPMFUSA-N -1 0 362.404 -0.782 20 0 FBADRM O=C(COC1CN(C(=O)[O-])C1)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000834009164 606005464 /nfs/dbraw/zinc/00/54/64/606005464.db2.gz BVBAWTZVDNQVIZ-IINYFYTJSA-N -1 0 362.404 -0.782 20 0 FBADRM O=C(COC1CN(C(=O)[O-])C1)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000834009166 606005264 /nfs/dbraw/zinc/00/52/64/606005264.db2.gz BVBAWTZVDNQVIZ-QMTHXVAHSA-N -1 0 362.404 -0.782 20 0 FBADRM O=C(COC1CN(C(=O)[O-])C1)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000834009168 606005331 /nfs/dbraw/zinc/00/53/31/606005331.db2.gz BVBAWTZVDNQVIZ-YGRLFVJLSA-N -1 0 362.404 -0.782 20 0 FBADRM O=C(COC1CN(C(=O)[O-])C1)NCCNS(=O)(=O)c1cccs1 ZINC000834011230 605661880 /nfs/dbraw/zinc/66/18/80/605661880.db2.gz TYOZZCHBFQCDCN-UHFFFAOYSA-N -1 0 363.417 -0.479 20 0 FBADRM O=C(COC1CN(C(=O)[O-])C1)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC000834012046 605665244 /nfs/dbraw/zinc/66/52/44/605665244.db2.gz TUOQUOLNYPVFBM-GFCCVEGCSA-N -1 0 362.342 -0.246 20 0 FBADRM O=C(COC1CN(C(=O)[O-])C1)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000834012047 605665241 /nfs/dbraw/zinc/66/52/41/605665241.db2.gz TUOQUOLNYPVFBM-LBPRGKRZSA-N -1 0 362.342 -0.246 20 0 FBADRM O=C([O-])N1CC(CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1 ZINC000834012063 605757483 /nfs/dbraw/zinc/75/74/83/605757483.db2.gz FWMWIHYUFHLUME-UHFFFAOYSA-N -1 0 361.152 -0.563 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)Cn2cnc(-c3ccccc3)n2)CC1 ZINC000834012128 605633311 /nfs/dbraw/zinc/63/33/11/605633311.db2.gz IQHPLJINAJCSRF-UHFFFAOYSA-N -1 0 372.385 -0.117 20 0 FBADRM O=C([O-])N1CCC(CC(=O)Nc2cnn(CC(=O)NCCO)c2)CC1 ZINC000834012412 605377172 /nfs/dbraw/zinc/37/71/72/605377172.db2.gz PKSFOWZIZXEMLI-UHFFFAOYSA-N -1 0 353.379 -0.290 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)Cn3ncn4nccc4c3=O)cc2C1 ZINC000834012464 605879480 /nfs/dbraw/zinc/87/94/80/605879480.db2.gz RVIHQFWYZHQZDO-UHFFFAOYSA-N -1 0 369.341 -0.039 20 0 FBADRM O=C(C[C@@H]1NC(=O)NC1=O)Nc1ccc(N2CCN(C(=O)[O-])CC2)cn1 ZINC000834012759 605916486 /nfs/dbraw/zinc/91/64/86/605916486.db2.gz HYGYMDOKJLVMAK-JTQLQIEISA-N -1 0 362.346 -0.582 20 0 FBADRM O=C([O-])N1CC(CNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1 ZINC000834012800 605753218 /nfs/dbraw/zinc/75/32/18/605753218.db2.gz ZEMUDIWESWVSOB-UHFFFAOYSA-N -1 0 372.381 -0.216 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)Cc2ccc3c(c2)NC(=O)C3)CC1 ZINC000834013304 605306081 /nfs/dbraw/zinc/30/60/81/605306081.db2.gz HOFFSRXHKYADJD-UHFFFAOYSA-N -1 0 360.370 -0.338 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC2CC2)C1 ZINC000834014310 605419870 /nfs/dbraw/zinc/41/98/70/605419870.db2.gz AUDVVFANBXSUBP-AAEUAGOBSA-N -1 0 366.418 -0.238 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)C(=O)NC2CC2)C1 ZINC000834014311 605419734 /nfs/dbraw/zinc/41/97/34/605419734.db2.gz AUDVVFANBXSUBP-DGCLKSJQSA-N -1 0 366.418 -0.238 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC2CC2)C1 ZINC000834014312 605419814 /nfs/dbraw/zinc/41/98/14/605419814.db2.gz AUDVVFANBXSUBP-WCQYABFASA-N -1 0 366.418 -0.238 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)C(=O)NC2CC2)C1 ZINC000834014313 605419740 /nfs/dbraw/zinc/41/97/40/605419740.db2.gz AUDVVFANBXSUBP-YPMHNXCESA-N -1 0 366.418 -0.238 20 0 FBADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)N(CCO)CCN1CCOCC1)C2 ZINC000834014344 605938044 /nfs/dbraw/zinc/93/80/44/605938044.db2.gz BIDBUUFUSGHVDF-GOOCMWNKSA-N -1 0 370.450 -0.004 20 0 FBADRM O=C([O-])N1CC[C@@H](CCC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000834017147 605415305 /nfs/dbraw/zinc/41/53/05/605415305.db2.gz SFUUFWSSZPZNRX-GFCCVEGCSA-N -1 0 366.418 -0.284 20 0 FBADRM O=C([O-])N1CC[C@H](CCC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000834017148 605415251 /nfs/dbraw/zinc/41/52/51/605415251.db2.gz SFUUFWSSZPZNRX-LBPRGKRZSA-N -1 0 366.418 -0.284 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)C(=O)Nc2ccc3nccn3c2)CC1 ZINC000834017435 605934657 /nfs/dbraw/zinc/93/46/57/605934657.db2.gz CSXAVSRTKXFZFG-UHFFFAOYSA-N -1 0 374.357 -0.789 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)C1 ZINC000834017558 606006310 /nfs/dbraw/zinc/00/63/10/606006310.db2.gz WBUABCMGURVKSM-GYSYKLTISA-N -1 0 361.420 -0.226 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)C1 ZINC000834017565 606006131 /nfs/dbraw/zinc/00/61/31/606006131.db2.gz WBUABCMGURVKSM-JTNHKYCSSA-N -1 0 361.420 -0.226 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)C1 ZINC000834017567 606006156 /nfs/dbraw/zinc/00/61/56/606006156.db2.gz WBUABCMGURVKSM-MISXGVKJSA-N -1 0 361.420 -0.226 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)C1 ZINC000834017569 606006351 /nfs/dbraw/zinc/00/63/51/606006351.db2.gz WBUABCMGURVKSM-WDMOLILDSA-N -1 0 361.420 -0.226 20 0 FBADRM O=C([O-])N1CCC[C@H]1CCC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000834018249 605415071 /nfs/dbraw/zinc/41/50/71/605415071.db2.gz XVOLKSPOOFGGMD-ZDUSSCGKSA-N -1 0 366.418 -0.142 20 0 FBADRM O=C([O-])N1CSC[C@@H]1C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000834018457 606002681 /nfs/dbraw/zinc/00/26/81/606002681.db2.gz LQAAKTGZGCGNSN-BREBYQMCSA-N -1 0 364.445 -0.108 20 0 FBADRM O=C([O-])N1CSC[C@@H]1C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000834018462 606002791 /nfs/dbraw/zinc/00/27/91/606002791.db2.gz LQAAKTGZGCGNSN-CWSCBRNRSA-N -1 0 364.445 -0.108 20 0 FBADRM O=C([O-])N1CSC[C@H]1C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000834018466 606002822 /nfs/dbraw/zinc/00/28/22/606002822.db2.gz LQAAKTGZGCGNSN-GBIKHYSHSA-N -1 0 364.445 -0.108 20 0 FBADRM O=C([O-])N1CSC[C@@H]1C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000834018471 606002995 /nfs/dbraw/zinc/00/29/95/606002995.db2.gz LQAAKTGZGCGNSN-GIPNMCIBSA-N -1 0 364.445 -0.108 20 0 FBADRM O=C([O-])N1CSC[C@H]1C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000834018477 606002975 /nfs/dbraw/zinc/00/29/75/606002975.db2.gz LQAAKTGZGCGNSN-NRUUGDAUSA-N -1 0 364.445 -0.108 20 0 FBADRM O=C([O-])N1CSC[C@@H]1C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000834018482 606002814 /nfs/dbraw/zinc/00/28/14/606002814.db2.gz LQAAKTGZGCGNSN-OPQQBVKSSA-N -1 0 364.445 -0.108 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)NCC(=O)N3CCOCC3)nn2)CC1 ZINC000834018868 606021113 /nfs/dbraw/zinc/02/11/13/606021113.db2.gz JUPNIFOETQLBIL-UHFFFAOYSA-N -1 0 366.378 -0.818 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2cc(-n3ccnc3)ccn2)CC1 ZINC000834018896 605509157 /nfs/dbraw/zinc/50/91/57/605509157.db2.gz KFGKJCFYYTWDJC-UHFFFAOYSA-N -1 0 358.358 -0.181 20 0 FBADRM O=C([O-])N1CC(NC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000834018966 605953248 /nfs/dbraw/zinc/95/32/48/605953248.db2.gz MGZPWQSDFDTVNQ-SECBINFHSA-N -1 0 363.417 -0.456 20 0 FBADRM O=C([O-])N1CC(NC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000834018968 605953371 /nfs/dbraw/zinc/95/33/71/605953371.db2.gz MGZPWQSDFDTVNQ-VIFPVBQESA-N -1 0 363.417 -0.456 20 0 FBADRM O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000834018973 605407331 /nfs/dbraw/zinc/40/73/31/605407331.db2.gz MINLVEZXBXMTSL-HZPDHXFCSA-N -1 0 363.414 -0.099 20 0 FBADRM O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000834018975 605407504 /nfs/dbraw/zinc/40/75/04/605407504.db2.gz MINLVEZXBXMTSL-JKSUJKDBSA-N -1 0 363.414 -0.099 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)C(=O)Nc2cccnc2Cl)CC1 ZINC000834019019 605934460 /nfs/dbraw/zinc/93/44/60/605934460.db2.gz MMDDSQVTIDOUPD-UHFFFAOYSA-N -1 0 369.765 -0.388 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@H](CO)c2ccccc2)CC1 ZINC000834019363 605511891 /nfs/dbraw/zinc/51/18/91/605511891.db2.gz NKYRVLDQEQHGFA-CYBMUJFWSA-N -1 0 350.375 -0.159 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000834019755 605750193 /nfs/dbraw/zinc/75/01/93/605750193.db2.gz PSZLFZJODUJISE-BLLLJJGKSA-N -1 0 370.406 -0.554 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000834019757 605750064 /nfs/dbraw/zinc/75/00/64/605750064.db2.gz PSZLFZJODUJISE-LRDDRELGSA-N -1 0 370.406 -0.554 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000834019759 605750142 /nfs/dbraw/zinc/75/01/42/605750142.db2.gz PSZLFZJODUJISE-MLGOLLRUSA-N -1 0 370.406 -0.554 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000834019761 605750083 /nfs/dbraw/zinc/75/00/83/605750083.db2.gz PSZLFZJODUJISE-WBMJQRKESA-N -1 0 370.406 -0.554 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@@H](CO)CC(F)(F)F)CC1 ZINC000834019811 605370571 /nfs/dbraw/zinc/37/05/71/605370571.db2.gz QTOBERIRIJBWPY-MRVPVSSYSA-N -1 0 356.301 -0.579 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N[C@H](CO)CC(F)(F)F)CC1 ZINC000834019819 605371077 /nfs/dbraw/zinc/37/10/77/605371077.db2.gz QTOBERIRIJBWPY-QMMMGPOBSA-N -1 0 356.301 -0.579 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NC[C@@H]2COC3(CCCC3)O2)CC1 ZINC000834019820 605889466 /nfs/dbraw/zinc/88/94/66/605889466.db2.gz QZLGFWOLVHBVBU-GFCCVEGCSA-N -1 0 370.406 -0.207 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NC[C@H]2COC3(CCCC3)O2)CC1 ZINC000834019822 605889785 /nfs/dbraw/zinc/88/97/85/605889785.db2.gz QZLGFWOLVHBVBU-LBPRGKRZSA-N -1 0 370.406 -0.207 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2cccc(-n3ccnn3)c2)CC1 ZINC000834020392 606050152 /nfs/dbraw/zinc/05/01/52/606050152.db2.gz SXIDYGXXDHNANX-UHFFFAOYSA-N -1 0 358.358 -0.181 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000834020556 605820603 /nfs/dbraw/zinc/82/06/03/605820603.db2.gz UMAYSROMNFGJPG-LLVKDONJSA-N -1 0 367.406 -0.881 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000834020559 605820516 /nfs/dbraw/zinc/82/05/16/605820516.db2.gz UMAYSROMNFGJPG-NSHDSACASA-N -1 0 367.406 -0.881 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2ccc(-n3ccnn3)cc2)CC1 ZINC000834020668 605578164 /nfs/dbraw/zinc/57/81/64/605578164.db2.gz VPKBAGNEXQKQDB-UHFFFAOYSA-N -1 0 358.358 -0.181 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2ccccc2-n2ccnn2)CC1 ZINC000834020912 605307263 /nfs/dbraw/zinc/30/72/63/605307263.db2.gz VQJUTASROKUWBB-UHFFFAOYSA-N -1 0 358.358 -0.181 20 0 FBADRM O=C([O-])N1CCc2c(cccc2NC(=O)C(=O)NCC2(CO)COC2)C1 ZINC000834021136 605662877 /nfs/dbraw/zinc/66/28/77/605662877.db2.gz FTLOIVRIAASMPG-UHFFFAOYSA-N -1 0 363.370 -0.214 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCc2noc(C3CC3)n2)CC1 ZINC000834021230 605815219 /nfs/dbraw/zinc/81/52/19/605815219.db2.gz XOHBODHBIKZMMQ-UHFFFAOYSA-N -1 0 352.351 -0.432 20 0 FBADRM O=C([O-])N1CC[C@@H](C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000834021235 605940994 /nfs/dbraw/zinc/94/09/94/605940994.db2.gz XQALROTWVKMEHZ-NXEZZACHSA-N -1 0 362.429 -0.001 20 0 FBADRM O=C([O-])N1CC[C@H](C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000834021238 605941214 /nfs/dbraw/zinc/94/12/14/605941214.db2.gz XQALROTWVKMEHZ-UWVGGRQHSA-N -1 0 362.429 -0.001 20 0 FBADRM O=C([O-])N1CC[C@H](C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000834021240 605941045 /nfs/dbraw/zinc/94/10/45/605941045.db2.gz XQALROTWVKMEHZ-VHSXEESVSA-N -1 0 362.429 -0.001 20 0 FBADRM O=C([O-])N1CC[C@@H](C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000834021242 605941174 /nfs/dbraw/zinc/94/11/74/605941174.db2.gz XQALROTWVKMEHZ-ZJUUUORDSA-N -1 0 362.429 -0.001 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NC[C@H]2CCCn3ccnc32)CC1 ZINC000834021395 605644236 /nfs/dbraw/zinc/64/42/36/605644236.db2.gz YLZVZNYYJUGABI-GFCCVEGCSA-N -1 0 364.406 -0.118 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NC[C@@H]2CCCn3ccnc32)CC1 ZINC000834021397 605644434 /nfs/dbraw/zinc/64/44/34/605644434.db2.gz YLZVZNYYJUGABI-LBPRGKRZSA-N -1 0 364.406 -0.118 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)c2ncn(-c3ccccc3)n2)CC1 ZINC000834021456 605482531 /nfs/dbraw/zinc/48/25/31/605482531.db2.gz ZBURPVLLTCMBPG-UHFFFAOYSA-N -1 0 358.358 -0.181 20 0 FBADRM O=C([O-])N1CCc2ccc(NC(=O)C(=O)NCC3(CO)COC3)cc2C1 ZINC000834022182 605662605 /nfs/dbraw/zinc/66/26/05/605662605.db2.gz MWOSYKUCHLSFSR-UHFFFAOYSA-N -1 0 363.370 -0.214 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000834022405 605627639 /nfs/dbraw/zinc/62/76/39/605627639.db2.gz PWRACGJIWGPFDQ-DJLDLDEBSA-N -1 0 353.297 -0.231 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000834022406 605628078 /nfs/dbraw/zinc/62/80/78/605628078.db2.gz PWRACGJIWGPFDQ-HLTSFMKQSA-N -1 0 353.297 -0.231 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000834022407 605627875 /nfs/dbraw/zinc/62/78/75/605627875.db2.gz PWRACGJIWGPFDQ-IWSPIJDZSA-N -1 0 353.297 -0.231 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000834022408 605628012 /nfs/dbraw/zinc/62/80/12/605628012.db2.gz PWRACGJIWGPFDQ-YIZRAAEISA-N -1 0 353.297 -0.231 20 0 FBADRM O=C([O-])N1CCc2ccc(NC(=O)C(=O)NC[C@@]3(O)CCOC3)cc2C1 ZINC000834022978 606027347 /nfs/dbraw/zinc/02/73/47/606027347.db2.gz SHHCEEWCUFPLHG-KRWDZBQOSA-N -1 0 363.370 -0.071 20 0 FBADRM O=C([O-])N1CCc2ccc(NC(=O)C(=O)NC[C@]3(O)CCOC3)cc2C1 ZINC000834022980 606027014 /nfs/dbraw/zinc/02/70/14/606027014.db2.gz SHHCEEWCUFPLHG-QGZVFWFLSA-N -1 0 363.370 -0.071 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)C(=O)NC[C@@]3(O)CCOC3)cc2C1 ZINC000834023106 605937999 /nfs/dbraw/zinc/93/79/99/605937999.db2.gz UTBZBNKNOBBVCE-INIZCTEOSA-N -1 0 364.358 -0.676 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)C(=O)NC[C@]3(O)CCOC3)cc2C1 ZINC000834023107 605937890 /nfs/dbraw/zinc/93/78/90/605937890.db2.gz UTBZBNKNOBBVCE-MRXNPFEDSA-N -1 0 364.358 -0.676 20 0 FBADRM O=C([O-])N1CCc2c(cccc2NC(=O)C(=O)NC[C@@]2(O)CCOC2)C1 ZINC000834023381 606026730 /nfs/dbraw/zinc/02/67/30/606026730.db2.gz YVBXRSDEXRXZHB-KRWDZBQOSA-N -1 0 363.370 -0.071 20 0 FBADRM O=C([O-])N1CCc2c(cccc2NC(=O)C(=O)NC[C@]2(O)CCOC2)C1 ZINC000834023382 606027313 /nfs/dbraw/zinc/02/73/13/606027313.db2.gz YVBXRSDEXRXZHB-QGZVFWFLSA-N -1 0 363.370 -0.071 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)[C@H]2COCCO2)C1 ZINC000834024038 605559497 /nfs/dbraw/zinc/55/94/97/605559497.db2.gz IWKQGTFBFVCMLJ-BFHYXJOUSA-N -1 0 369.418 -0.101 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2COCCO2)C1 ZINC000834024039 605559742 /nfs/dbraw/zinc/55/97/42/605559742.db2.gz IWKQGTFBFVCMLJ-IHRRRGAJSA-N -1 0 369.418 -0.101 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)[C@H]2COCCO2)C1 ZINC000834024040 605559814 /nfs/dbraw/zinc/55/98/14/605559814.db2.gz IWKQGTFBFVCMLJ-MELADBBJSA-N -1 0 369.418 -0.101 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2COCCO2)C1 ZINC000834024041 605559783 /nfs/dbraw/zinc/55/97/83/605559783.db2.gz IWKQGTFBFVCMLJ-MJBXVCDLSA-N -1 0 369.418 -0.101 20 0 FBADRM O=C([O-])N1CCCC[C@H]1CNC(=O)N(CCO)CCN1CCOCC1 ZINC000834024255 605934395 /nfs/dbraw/zinc/93/43/95/605934395.db2.gz LGCQSNCMGNNGQJ-AWEZNQCLSA-N -1 0 358.439 -0.145 20 0 FBADRM O=C([O-])N1CCCC[C@@H]1CNC(=O)N(CCO)CCN1CCOCC1 ZINC000834024256 605934372 /nfs/dbraw/zinc/93/43/72/605934372.db2.gz LGCQSNCMGNNGQJ-CQSZACIVSA-N -1 0 358.439 -0.145 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCCN(c2ccc3nnnn3n2)C1 ZINC000834024921 605405659 /nfs/dbraw/zinc/40/56/59/605405659.db2.gz GGDSYBAICYMMOO-NEPJUHHUSA-N -1 0 374.405 -0.006 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(c2ccc3nnnn3n2)C1 ZINC000834024925 605405715 /nfs/dbraw/zinc/40/57/15/605405715.db2.gz GGDSYBAICYMMOO-NWDGAFQWSA-N -1 0 374.405 -0.006 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(c2ccc3nnnn3n2)C1 ZINC000834024928 605405854 /nfs/dbraw/zinc/40/58/54/605405854.db2.gz GGDSYBAICYMMOO-RYUDHWBXSA-N -1 0 374.405 -0.006 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(c2ccc3nnnn3n2)C1 ZINC000834024930 605405736 /nfs/dbraw/zinc/40/57/36/605405736.db2.gz GGDSYBAICYMMOO-VXGBXAGGSA-N -1 0 374.405 -0.006 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC000834025354 605560782 /nfs/dbraw/zinc/56/07/82/605560782.db2.gz DPYWFVRSQKIGKR-GHMZBOCLSA-N -1 0 350.379 -0.085 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC000834025355 605560469 /nfs/dbraw/zinc/56/04/69/605560469.db2.gz DPYWFVRSQKIGKR-MNOVXSKESA-N -1 0 350.379 -0.085 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC000834025357 605560332 /nfs/dbraw/zinc/56/03/32/605560332.db2.gz DPYWFVRSQKIGKR-QWRGUYRKSA-N -1 0 350.379 -0.085 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC000834025358 605560797 /nfs/dbraw/zinc/56/07/97/605560797.db2.gz DPYWFVRSQKIGKR-WDEREUQCSA-N -1 0 350.379 -0.085 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000834026341 605560529 /nfs/dbraw/zinc/56/05/29/605560529.db2.gz IHISBJFPBSPRHH-NEPJUHHUSA-N -1 0 365.394 -0.830 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000834026342 605560866 /nfs/dbraw/zinc/56/08/66/605560866.db2.gz IHISBJFPBSPRHH-NWDGAFQWSA-N -1 0 365.394 -0.830 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000834026344 605560318 /nfs/dbraw/zinc/56/03/18/605560318.db2.gz IHISBJFPBSPRHH-RYUDHWBXSA-N -1 0 365.394 -0.830 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000834026346 605560830 /nfs/dbraw/zinc/56/08/30/605560830.db2.gz IHISBJFPBSPRHH-VXGBXAGGSA-N -1 0 365.394 -0.830 20 0 FBADRM O=C([O-])N1CC(CNC(=O)C(=O)Nc2ccn(Cc3ccccn3)n2)C1 ZINC000834026676 605778521 /nfs/dbraw/zinc/77/85/21/605778521.db2.gz ALKGVVPELDAMFD-UHFFFAOYSA-N -1 0 358.358 -0.009 20 0 FBADRM O=C([O-])N1CC(CNC(=O)C(=O)Nc2ccc(Cn3cncn3)cc2)C1 ZINC000834026677 605780443 /nfs/dbraw/zinc/78/04/43/605780443.db2.gz ANGMDIBVEZSLPD-UHFFFAOYSA-N -1 0 358.358 -0.009 20 0 FBADRM O=C([O-])N1CC(CNC(=O)C(=O)Nc2ccnn2Cc2ccccn2)C1 ZINC000834026702 605780197 /nfs/dbraw/zinc/78/01/97/605780197.db2.gz BAXPHEYGQYJABV-UHFFFAOYSA-N -1 0 358.358 -0.009 20 0 FBADRM O=C([O-])N1CC(CNC(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)C1 ZINC000834026784 605780491 /nfs/dbraw/zinc/78/04/91/605780491.db2.gz CECUIMITLJYRGX-UHFFFAOYSA-N -1 0 358.358 -0.009 20 0 FBADRM O=C([O-])N1CC(CNC(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)C1 ZINC000834026830 605459551 /nfs/dbraw/zinc/45/95/51/605459551.db2.gz DJEQLDFDLRSNQS-UHFFFAOYSA-N -1 0 358.358 -0.009 20 0 FBADRM O=C([O-])N1CC(CNC(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C1 ZINC000834027270 605780338 /nfs/dbraw/zinc/78/03/38/605780338.db2.gz FSXPWZCDEZCZAY-UHFFFAOYSA-N -1 0 367.383 -0.319 20 0 FBADRM O=C([O-])N1CC(CNC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)C1 ZINC000834027458 605780517 /nfs/dbraw/zinc/78/05/17/605780517.db2.gz GEMNCDPBSASGIF-UHFFFAOYSA-N -1 0 361.358 -0.119 20 0 FBADRM O=C([O-])N1CC(CNC(=O)[C@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)C1 ZINC000834027582 605784867 /nfs/dbraw/zinc/78/48/67/605784867.db2.gz GLCAEGKVFHEVIL-GFCCVEGCSA-N -1 0 363.374 -0.097 20 0 FBADRM O=C([O-])N1CC(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)C1 ZINC000834027618 605784381 /nfs/dbraw/zinc/78/43/81/605784381.db2.gz GLCAEGKVFHEVIL-LBPRGKRZSA-N -1 0 363.374 -0.097 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCCN(c2nccn3nnnc23)C1 ZINC000834027702 605405771 /nfs/dbraw/zinc/40/57/71/605405771.db2.gz PIMNDWKTGCJGEN-NEPJUHHUSA-N -1 0 374.405 -0.006 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(c2nccn3nnnc23)C1 ZINC000834027705 605405467 /nfs/dbraw/zinc/40/54/67/605405467.db2.gz PIMNDWKTGCJGEN-NWDGAFQWSA-N -1 0 374.405 -0.006 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(c2nccn3nnnc23)C1 ZINC000834027708 605405875 /nfs/dbraw/zinc/40/58/75/605405875.db2.gz PIMNDWKTGCJGEN-RYUDHWBXSA-N -1 0 374.405 -0.006 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(c2nccn3nnnc23)C1 ZINC000834027712 605405825 /nfs/dbraw/zinc/40/58/25/605405825.db2.gz PIMNDWKTGCJGEN-VXGBXAGGSA-N -1 0 374.405 -0.006 20 0 FBADRM O=C([O-])N1CC(CNC(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)C1 ZINC000834028541 605778637 /nfs/dbraw/zinc/77/86/37/605778637.db2.gz LBSULZHORKFLMW-UHFFFAOYSA-N -1 0 358.358 -0.009 20 0 FBADRM O=C([O-])N1CC[C@@H](CNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)C1 ZINC000834028669 605634283 /nfs/dbraw/zinc/63/42/83/605634283.db2.gz CKBSVWPVPAHIIR-JTQLQIEISA-N -1 0 359.346 -0.283 20 0 FBADRM O=C([O-])N1CC[C@H](CNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)C1 ZINC000834028673 605634106 /nfs/dbraw/zinc/63/41/06/605634106.db2.gz CKBSVWPVPAHIIR-SNVBAGLBSA-N -1 0 359.346 -0.283 20 0 FBADRM O=C([O-])N1CC(CNC(=O)C(=O)Nc2cccc(Cn3cncn3)c2)C1 ZINC000834028711 605778620 /nfs/dbraw/zinc/77/86/20/605778620.db2.gz MMXPSTODXWEQTK-UHFFFAOYSA-N -1 0 358.358 -0.009 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(CN2C[C@H](O)CC2=O)C1 ZINC000834028861 605410496 /nfs/dbraw/zinc/41/04/96/605410496.db2.gz SPTMAGNZWBUYJO-BFHYXJOUSA-N -1 0 368.434 -0.492 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(CN2C[C@@H](O)CC2=O)C1 ZINC000834028866 605410202 /nfs/dbraw/zinc/41/02/02/605410202.db2.gz SPTMAGNZWBUYJO-IHRRRGAJSA-N -1 0 368.434 -0.492 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(CN2C[C@@H](O)CC2=O)C1 ZINC000834028869 605410402 /nfs/dbraw/zinc/41/04/02/605410402.db2.gz SPTMAGNZWBUYJO-MELADBBJSA-N -1 0 368.434 -0.492 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(CN2C[C@H](O)CC2=O)C1 ZINC000834028875 605410265 /nfs/dbraw/zinc/41/02/65/605410265.db2.gz SPTMAGNZWBUYJO-MJBXVCDLSA-N -1 0 368.434 -0.492 20 0 FBADRM O=C([O-])N1CC(CNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000834029229 605781127 /nfs/dbraw/zinc/78/11/27/605781127.db2.gz ACFYLDCJWCQLBI-UHFFFAOYSA-N -1 0 363.309 -0.534 20 0 FBADRM O=C([O-])N1CC(CNC(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)C1 ZINC000834029536 605778512 /nfs/dbraw/zinc/77/85/12/605778512.db2.gz RICRPJWJBDRWFV-UHFFFAOYSA-N -1 0 358.358 -0.009 20 0 FBADRM O=C([O-])N1CC[C@@H](CNC(=O)C(=O)Nc2cccnc2-n2cncn2)C1 ZINC000834029651 605632342 /nfs/dbraw/zinc/63/23/42/605632342.db2.gz DZPOMDVCZCUHFN-JTQLQIEISA-N -1 0 359.346 -0.283 20 0 FBADRM O=C([O-])N1CC[C@H](CNC(=O)C(=O)Nc2cccnc2-n2cncn2)C1 ZINC000834029654 605632468 /nfs/dbraw/zinc/63/24/68/605632468.db2.gz DZPOMDVCZCUHFN-SNVBAGLBSA-N -1 0 359.346 -0.283 20 0 FBADRM O=C([O-])N1CC(CNC(=O)C(=O)Nc2cccnc2N2CCOCC2)C1 ZINC000834029990 605778737 /nfs/dbraw/zinc/77/87/37/605778737.db2.gz UDWWCTSHKNJVCQ-UHFFFAOYSA-N -1 0 363.374 -0.417 20 0 FBADRM O=C([O-])N1CC[C@H](CNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C1 ZINC000834030059 605533053 /nfs/dbraw/zinc/53/30/53/605533053.db2.gz ULHMFXKNRCIHQR-LLVKDONJSA-N -1 0 374.405 -0.148 20 0 FBADRM O=C([O-])N1CC(CNC(=O)C(=O)Nc2ccccc2Cn2cncn2)C1 ZINC000834030069 605781311 /nfs/dbraw/zinc/78/13/11/605781311.db2.gz VPMVFTDSAUWNBD-UHFFFAOYSA-N -1 0 358.358 -0.009 20 0 FBADRM O=C([O-])N1CC[C@@H](CNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C1 ZINC000834030072 605532619 /nfs/dbraw/zinc/53/26/19/605532619.db2.gz ULHMFXKNRCIHQR-NSHDSACASA-N -1 0 374.405 -0.148 20 0 FBADRM O=C([O-])N1CC[C@@H](CNC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000834030540 605635022 /nfs/dbraw/zinc/63/50/22/605635022.db2.gz HTCSNGWEPOWLSG-JTQLQIEISA-N -1 0 359.346 -0.283 20 0 FBADRM O=C([O-])N1CC[C@H](CNC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000834030542 605635139 /nfs/dbraw/zinc/63/51/39/605635139.db2.gz HTCSNGWEPOWLSG-SNVBAGLBSA-N -1 0 359.346 -0.283 20 0 FBADRM O=C([O-])N1CC(CNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1 ZINC000834030635 605781092 /nfs/dbraw/zinc/78/10/92/605781092.db2.gz YETHNUDVBYWHRF-GFCCVEGCSA-N -1 0 351.363 -0.273 20 0 FBADRM O=C([O-])N1CC(CNC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1 ZINC000834030637 605781408 /nfs/dbraw/zinc/78/14/08/605781408.db2.gz YETHNUDVBYWHRF-LBPRGKRZSA-N -1 0 351.363 -0.273 20 0 FBADRM O=C([O-])N1CC(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1 ZINC000834030762 605554008 /nfs/dbraw/zinc/55/40/08/605554008.db2.gz JYKRSKZYRYAXIV-UHFFFAOYSA-N -1 0 355.363 -0.023 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC000834032650 605564267 /nfs/dbraw/zinc/56/42/67/605564267.db2.gz WYVGDCNFEYVQHQ-CMPLNLGQSA-N -1 0 350.379 -0.085 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC000834032651 605564423 /nfs/dbraw/zinc/56/44/23/605564423.db2.gz WYVGDCNFEYVQHQ-JQWIXIFHSA-N -1 0 350.379 -0.085 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC000834032652 605564405 /nfs/dbraw/zinc/56/44/05/605564405.db2.gz WYVGDCNFEYVQHQ-PWSUYJOCSA-N -1 0 350.379 -0.085 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC000834032653 605564298 /nfs/dbraw/zinc/56/42/98/605564298.db2.gz WYVGDCNFEYVQHQ-ZYHUDNBSSA-N -1 0 350.379 -0.085 20 0 FBADRM O=C([O-])N1CC[C@@H](CNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C1 ZINC000834032740 605633335 /nfs/dbraw/zinc/63/33/35/605633335.db2.gz OYFWRXSYPWRILZ-JTQLQIEISA-N -1 0 359.346 -0.283 20 0 FBADRM O=C([O-])N1CC[C@H](CNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C1 ZINC000834032741 605633289 /nfs/dbraw/zinc/63/32/89/605633289.db2.gz OYFWRXSYPWRILZ-SNVBAGLBSA-N -1 0 359.346 -0.283 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC000834032942 605564111 /nfs/dbraw/zinc/56/41/11/605564111.db2.gz YFCISXSYPRWZHW-CHWSQXEVSA-N -1 0 364.406 -0.225 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC000834032943 605564227 /nfs/dbraw/zinc/56/42/27/605564227.db2.gz YFCISXSYPRWZHW-OLZOCXBDSA-N -1 0 364.406 -0.225 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC000834032944 605564116 /nfs/dbraw/zinc/56/41/16/605564116.db2.gz YFCISXSYPRWZHW-QWHCGFSZSA-N -1 0 364.406 -0.225 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC000834032945 605564300 /nfs/dbraw/zinc/56/43/00/605564300.db2.gz YFCISXSYPRWZHW-STQMWFEESA-N -1 0 364.406 -0.225 20 0 FBADRM O=C([O-])N1CC[C@@H](CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 ZINC000834033363 605542141 /nfs/dbraw/zinc/54/21/41/605542141.db2.gz TZNBRZPOKWHWIF-JTQLQIEISA-N -1 0 354.388 -0.400 20 0 FBADRM O=C([O-])N1CC[C@H](CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 ZINC000834033364 605542180 /nfs/dbraw/zinc/54/21/80/605542180.db2.gz TZNBRZPOKWHWIF-SNVBAGLBSA-N -1 0 354.388 -0.400 20 0 FBADRM O=C([O-])N1CC[C@@H](CNC(=O)C(=O)Nc2ccc(-n3cncn3)nc2)C1 ZINC000834033393 605635051 /nfs/dbraw/zinc/63/50/51/605635051.db2.gz USFCYRMSMJEIKH-JTQLQIEISA-N -1 0 359.346 -0.283 20 0 FBADRM O=C([O-])N1CC[C@H](CNC(=O)C(=O)Nc2ccc(-n3cncn3)nc2)C1 ZINC000834033394 605634944 /nfs/dbraw/zinc/63/49/44/605634944.db2.gz USFCYRMSMJEIKH-SNVBAGLBSA-N -1 0 359.346 -0.283 20 0 FBADRM O=C([O-])N1CC[C@@H](CNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC000834033729 605546248 /nfs/dbraw/zinc/54/62/48/605546248.db2.gz XCSPBCHOPDKXJD-JTQLQIEISA-N -1 0 354.388 -0.400 20 0 FBADRM O=C([O-])N1CC[C@H](CNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC000834033730 605546692 /nfs/dbraw/zinc/54/66/92/605546692.db2.gz XCSPBCHOPDKXJD-SNVBAGLBSA-N -1 0 354.388 -0.400 20 0 FBADRM O=C([O-])N1CC(CNC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000834033819 605742072 /nfs/dbraw/zinc/74/20/72/605742072.db2.gz NUHPMABVNCLQCY-UHFFFAOYSA-N -1 0 360.436 -0.148 20 0 FBADRM O=C([O-])N1CC[C@@H](CNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)C1 ZINC000834034028 605633209 /nfs/dbraw/zinc/63/32/09/605633209.db2.gz YUIOYKOVVIVAKA-JTQLQIEISA-N -1 0 359.346 -0.283 20 0 FBADRM O=C([O-])N1CC[C@H](CNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)C1 ZINC000834034030 605633225 /nfs/dbraw/zinc/63/32/25/605633225.db2.gz YUIOYKOVVIVAKA-SNVBAGLBSA-N -1 0 359.346 -0.283 20 0 FBADRM O=C([O-])N1CC(CNC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)C1 ZINC000834034246 606006265 /nfs/dbraw/zinc/00/62/65/606006265.db2.gz RCAUKZMLQNCGFE-BXUZGUMPSA-N -1 0 361.420 -0.368 20 0 FBADRM O=C([O-])N1CC(CNC(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)C1 ZINC000834034247 606006084 /nfs/dbraw/zinc/00/60/84/606006084.db2.gz RCAUKZMLQNCGFE-FZMZJTMJSA-N -1 0 361.420 -0.368 20 0 FBADRM O=C([O-])N1CC(CNC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)C1 ZINC000834034248 606006204 /nfs/dbraw/zinc/00/62/04/606006204.db2.gz RCAUKZMLQNCGFE-RISCZKNCSA-N -1 0 361.420 -0.368 20 0 FBADRM O=C([O-])N1CC(CNC(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)C1 ZINC000834034249 606006277 /nfs/dbraw/zinc/00/62/77/606006277.db2.gz RCAUKZMLQNCGFE-SMDDNHRTSA-N -1 0 361.420 -0.368 20 0 FBADRM O=C([O-])N1CC(CNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C1 ZINC000834034833 605753666 /nfs/dbraw/zinc/75/36/66/605753666.db2.gz ZMKQMBDJNXRGIC-UHFFFAOYSA-N -1 0 360.378 -0.538 20 0 FBADRM O=C([O-])N1CCC[C@@H](n2cc(C(=O)NC[C@H]3CN4CCN3CC4)cn2)C1 ZINC000834035988 605566214 /nfs/dbraw/zinc/56/62/14/605566214.db2.gz CASJJFKGSSJXAA-CABCVRRESA-N -1 0 362.434 -0.072 20 0 FBADRM O=C([O-])N1CCC[C@H](n2cc(C(=O)NC[C@H]3CN4CCN3CC4)cn2)C1 ZINC000834035989 605566180 /nfs/dbraw/zinc/56/61/80/605566180.db2.gz CASJJFKGSSJXAA-GJZGRUSLSA-N -1 0 362.434 -0.072 20 0 FBADRM O=C([O-])N1CCC[C@@H](n2cc(C(=O)NC[C@@H]3CN4CCN3CC4)cn2)C1 ZINC000834035990 605566237 /nfs/dbraw/zinc/56/62/37/605566237.db2.gz CASJJFKGSSJXAA-HUUCEWRRSA-N -1 0 362.434 -0.072 20 0 FBADRM O=C([O-])N1CCC[C@H](n2cc(C(=O)NC[C@@H]3CN4CCN3CC4)cn2)C1 ZINC000834035991 605566094 /nfs/dbraw/zinc/56/60/94/605566094.db2.gz CASJJFKGSSJXAA-LSDHHAIUSA-N -1 0 362.434 -0.072 20 0 FBADRM O=C([O-])N1CC(CNC(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000834036014 605763691 /nfs/dbraw/zinc/76/36/91/605763691.db2.gz AMUVEAFICWCKCQ-UHFFFAOYSA-N -1 0 352.395 -0.053 20 0 FBADRM O=C([O-])N1CC(CNC(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000834036020 605763780 /nfs/dbraw/zinc/76/37/80/605763780.db2.gz BBHRJYGFBZNMHV-UHFFFAOYSA-N -1 0 352.395 -0.053 20 0 FBADRM O=C([O-])N1CC(CNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000834036211 605763972 /nfs/dbraw/zinc/76/39/72/605763972.db2.gz GMFWBTQSOCPYEM-UHFFFAOYSA-N -1 0 366.378 -0.527 20 0 FBADRM O=C([O-])N1CCN(C(=O)c2ccnnc2)[C@H](CNC(=O)c2ccnnc2)C1 ZINC000834036500 605673561 /nfs/dbraw/zinc/67/35/61/605673561.db2.gz HMJVQHBUFXRISC-CYBMUJFWSA-N -1 0 371.357 -0.499 20 0 FBADRM O=C([O-])N1CCN(C(=O)c2ccnnc2)[C@@H](CNC(=O)c2ccnnc2)C1 ZINC000834036503 605673600 /nfs/dbraw/zinc/67/36/00/605673600.db2.gz HMJVQHBUFXRISC-ZDUSSCGKSA-N -1 0 371.357 -0.499 20 0 FBADRM O=C([O-])N1CC(CNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000834036592 605763902 /nfs/dbraw/zinc/76/39/02/605763902.db2.gz MPGOSGRXHTVSHR-UHFFFAOYSA-N -1 0 366.378 -0.527 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@@H]2CCCO2)[C@@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC000834037729 605966813 /nfs/dbraw/zinc/96/68/13/605966813.db2.gz ORMGUPUXZVYDCM-AVGNSLFASA-N -1 0 355.391 -0.349 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@H]2CCCO2)[C@@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000834037731 606067386 /nfs/dbraw/zinc/06/73/86/606067386.db2.gz ORMGUPUXZVYDCM-YNEHKIRRSA-N -1 0 355.391 -0.349 20 0 FBADRM O=C([O-])N1CC(OCCC(=O)N2CCC(C(=O)NCCCO)CC2)C1 ZINC000834037755 605314608 /nfs/dbraw/zinc/31/46/08/605314608.db2.gz CWLDKCGPTJDPOA-UHFFFAOYSA-N -1 0 357.407 -0.508 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000834038158 605820534 /nfs/dbraw/zinc/82/05/34/605820534.db2.gz HJUYKMJWYYSJEC-CYBMUJFWSA-N -1 0 367.450 -0.018 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000834038159 605820507 /nfs/dbraw/zinc/82/05/07/605820507.db2.gz HJUYKMJWYYSJEC-ZDUSSCGKSA-N -1 0 367.450 -0.018 20 0 FBADRM O=C([O-])N1CC(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 ZINC000834038224 661159847 /nfs/dbraw/zinc/15/98/47/661159847.db2.gz MPLBGULNQLFXPE-UHFFFAOYSA-N -1 0 373.387 -0.360 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)C(=O)NCCCOCCO)cc2C1 ZINC000834038629 605770688 /nfs/dbraw/zinc/77/06/88/605770688.db2.gz KXDATHHFBWELPY-UHFFFAOYSA-N -1 0 366.374 -0.429 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000834038665 605762772 /nfs/dbraw/zinc/76/27/72/605762772.db2.gz LSKFHACJYZVKNB-UHFFFAOYSA-N -1 0 367.410 -0.876 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)NC[C@@H]3CN4CCN3CC4)nn2)CC1 ZINC000834038812 605651130 /nfs/dbraw/zinc/65/11/30/605651130.db2.gz VNCUQVISBVVVLU-CYBMUJFWSA-N -1 0 363.422 -0.677 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)NC[C@H]3CN4CCN3CC4)nn2)CC1 ZINC000834038817 605651306 /nfs/dbraw/zinc/65/13/06/605651306.db2.gz VNCUQVISBVVVLU-ZDUSSCGKSA-N -1 0 363.422 -0.677 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)NCC2(CO)CCOCC2)CC1 ZINC000834039122 605748558 /nfs/dbraw/zinc/74/85/58/605748558.db2.gz QLTZPVNYSLYHJG-UHFFFAOYSA-N -1 0 358.439 -0.240 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)C(=O)NC[C@@H]3COCCO3)cc2C1 ZINC000834039508 605928724 /nfs/dbraw/zinc/92/87/24/605928724.db2.gz ZVWOSAKODOKJKV-GFCCVEGCSA-N -1 0 364.358 -0.412 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)C(=O)NC[C@H]3COCCO3)cc2C1 ZINC000834039509 605928720 /nfs/dbraw/zinc/92/87/20/605928720.db2.gz ZVWOSAKODOKJKV-LBPRGKRZSA-N -1 0 364.358 -0.412 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)N[C@@H](CO)C2CCOCC2)CC1 ZINC000834039543 661159897 /nfs/dbraw/zinc/15/98/97/661159897.db2.gz UKTLDMVEQPFBIJ-AWEZNQCLSA-N -1 0 358.439 -0.241 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)N[C@H](CO)C2CCOCC2)CC1 ZINC000834039544 661159869 /nfs/dbraw/zinc/15/98/69/661159869.db2.gz UKTLDMVEQPFBIJ-CQSZACIVSA-N -1 0 358.439 -0.241 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000834040277 605661877 /nfs/dbraw/zinc/66/18/77/605661877.db2.gz AMVFTGWGPYEVFR-BDAKNGLRSA-N -1 0 363.417 -0.744 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000834040282 605661840 /nfs/dbraw/zinc/66/18/40/605661840.db2.gz AMVFTGWGPYEVFR-DTWKUNHWSA-N -1 0 363.417 -0.744 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000834040284 605662010 /nfs/dbraw/zinc/66/20/10/605662010.db2.gz AMVFTGWGPYEVFR-IUCAKERBSA-N -1 0 363.417 -0.744 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000834040286 605661902 /nfs/dbraw/zinc/66/19/02/605661902.db2.gz AMVFTGWGPYEVFR-RKDXNWHRSA-N -1 0 363.417 -0.744 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)NCC2CCS(=O)(=O)CC2)CC1 ZINC000834040603 606079266 /nfs/dbraw/zinc/07/92/66/606079266.db2.gz DKAOAULVIIJNOV-UHFFFAOYSA-N -1 0 362.452 -0.594 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)C(=O)NCCOCCO)cc2C1 ZINC000834040754 605934421 /nfs/dbraw/zinc/93/44/21/605934421.db2.gz GECULNHGTXEWNI-UHFFFAOYSA-N -1 0 352.347 -0.819 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)NC[C@H]2CCCCS2(=O)=O)CC1 ZINC000834040949 605399622 /nfs/dbraw/zinc/39/96/22/605399622.db2.gz GNIHFSKPWDRUQT-GFCCVEGCSA-N -1 0 362.452 -0.452 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)NC[C@@H]2CCCCS2(=O)=O)CC1 ZINC000834040952 605398946 /nfs/dbraw/zinc/39/89/46/605398946.db2.gz GNIHFSKPWDRUQT-LBPRGKRZSA-N -1 0 362.452 -0.452 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)c2cncc(N3CCOCC3)c2)CC1 ZINC000834040970 606100841 /nfs/dbraw/zinc/10/08/41/606100841.db2.gz GWJQDZUMADCGPW-UHFFFAOYSA-N -1 0 363.418 -0.056 20 0 FBADRM O=C([O-])N1CC(CNC(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000834041109 605732898 /nfs/dbraw/zinc/73/28/98/605732898.db2.gz JKBBSLLBPNUTCB-UHFFFAOYSA-N -1 0 352.395 -0.320 20 0 FBADRM O=C([O-])N1CC(CNC(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000834041159 605744326 /nfs/dbraw/zinc/74/43/26/605744326.db2.gz JQRRXHGTVXTINB-UHFFFAOYSA-N -1 0 357.392 -0.731 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)C(=O)Nc2ccc3nccn3c2)CC1 ZINC000834041270 605930951 /nfs/dbraw/zinc/93/09/51/605930951.db2.gz HOEGLETYVNEEBU-UHFFFAOYSA-N -1 0 360.374 -0.315 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000834041309 605820592 /nfs/dbraw/zinc/82/05/92/605820592.db2.gz IJTQTSFDBBXZOO-GFCCVEGCSA-N -1 0 353.423 -0.408 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000834041310 605820565 /nfs/dbraw/zinc/82/05/65/605820565.db2.gz IJTQTSFDBBXZOO-LBPRGKRZSA-N -1 0 353.423 -0.408 20 0 FBADRM O=C([O-])N1CSC[C@H]1C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000834041351 605626021 /nfs/dbraw/zinc/62/60/21/605626021.db2.gz KMZAALWKWXVJOE-JTQLQIEISA-N -1 0 360.417 -0.471 20 0 FBADRM O=C([O-])N1CSC[C@@H]1C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000834041356 605626347 /nfs/dbraw/zinc/62/63/47/605626347.db2.gz KMZAALWKWXVJOE-SNVBAGLBSA-N -1 0 360.417 -0.471 20 0 FBADRM O=C([O-])N1CCC2(C[C@@H]2C(=O)NCCN2CCS(=O)(=O)CC2)CC1 ZINC000834041402 605875797 /nfs/dbraw/zinc/87/57/97/605875797.db2.gz KOOHLENZRYGLOA-GFCCVEGCSA-N -1 0 359.448 -0.387 20 0 FBADRM O=C([O-])N1CCC2(C[C@H]2C(=O)NCCN2CCS(=O)(=O)CC2)CC1 ZINC000834041404 605875570 /nfs/dbraw/zinc/87/55/70/605875570.db2.gz KOOHLENZRYGLOA-LBPRGKRZSA-N -1 0 359.448 -0.387 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)C(=O)NCCCn3ccnn3)cc2C1 ZINC000834041499 605605662 /nfs/dbraw/zinc/60/56/62/605605662.db2.gz MUCODGZAYJQRGA-UHFFFAOYSA-N -1 0 373.373 -0.146 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1 ZINC000834041632 606087388 /nfs/dbraw/zinc/08/73/88/606087388.db2.gz MGRBQZMWVWSNMC-CYBMUJFWSA-N -1 0 372.422 -0.497 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)NC[C@H]2COC3(CCOCC3)O2)CC1 ZINC000834041633 606087149 /nfs/dbraw/zinc/08/71/49/606087149.db2.gz MGRBQZMWVWSNMC-ZDUSSCGKSA-N -1 0 372.422 -0.497 20 0 FBADRM O=C([O-])N1CC(CNC(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000834041660 605735740 /nfs/dbraw/zinc/73/57/40/605735740.db2.gz NKFRGRPVBVPIOX-UHFFFAOYSA-N -1 0 361.380 -0.997 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)NCCN3C(=O)CNC3=O)cc2C1 ZINC000834041687 605927593 /nfs/dbraw/zinc/92/75/93/605927593.db2.gz NUFMIFJFUNWOTK-UHFFFAOYSA-N -1 0 362.346 -0.209 20 0 FBADRM O=C([O-])N1CC(CNC(=O)NCCNS(=O)(=O)c2ccccc2)C1 ZINC000834041787 605740056 /nfs/dbraw/zinc/74/00/56/605740056.db2.gz QAZQVLMBXNDDTP-UHFFFAOYSA-N -1 0 356.404 -0.126 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCCc2ccc(CO)cc2)CC1 ZINC000834041975 605995201 /nfs/dbraw/zinc/99/52/01/605995201.db2.gz DSQDXUMDKXGBAO-UHFFFAOYSA-N -1 0 364.402 -0.157 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000834042083 605750170 /nfs/dbraw/zinc/75/01/70/605750170.db2.gz RCWZGQDIJATCPE-BBRMVZONSA-N -1 0 356.423 -0.081 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000834042085 605749789 /nfs/dbraw/zinc/74/97/89/605749789.db2.gz RCWZGQDIJATCPE-CJNGLKHVSA-N -1 0 356.423 -0.081 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000834042087 605749775 /nfs/dbraw/zinc/74/97/75/605749775.db2.gz RCWZGQDIJATCPE-CZUORRHYSA-N -1 0 356.423 -0.081 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000834042089 605750005 /nfs/dbraw/zinc/75/00/05/605750005.db2.gz RCWZGQDIJATCPE-XJKSGUPXSA-N -1 0 356.423 -0.081 20 0 FBADRM O=C([O-])N1CCN(CCCNc2ccc(C(=O)NCCO)nn2)CC1 ZINC000834042165 605948115 /nfs/dbraw/zinc/94/81/15/605948115.db2.gz UGSAPBAKOOONRH-UHFFFAOYSA-N -1 0 352.395 -0.704 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000834042170 605661815 /nfs/dbraw/zinc/66/18/15/605661815.db2.gz UKNNAPXXVDPRQB-SECBINFHSA-N -1 0 363.417 -0.479 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000834042171 605661814 /nfs/dbraw/zinc/66/18/14/605661814.db2.gz UKNNAPXXVDPRQB-VIFPVBQESA-N -1 0 363.417 -0.479 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)C(=O)NCCCn3cncn3)cc2C1 ZINC000834042223 605922958 /nfs/dbraw/zinc/92/29/58/605922958.db2.gz UABKCIQJHSSECH-UHFFFAOYSA-N -1 0 373.373 -0.146 20 0 FBADRM O=C([O-])N1CC(CNC(=O)NCCNS(=O)(=O)c2cccs2)C1 ZINC000834042409 605741973 /nfs/dbraw/zinc/74/19/73/605741973.db2.gz WAZJLHQOVQXTCB-UHFFFAOYSA-N -1 0 362.433 -0.065 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)NCCNS(=O)(=O)c2cccs2)C1 ZINC000834042440 605649518 /nfs/dbraw/zinc/64/95/18/605649518.db2.gz WYSNQMIHEIFFOD-SECBINFHSA-N -1 0 363.417 -0.479 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)NCCNS(=O)(=O)c2cccs2)C1 ZINC000834042442 605649575 /nfs/dbraw/zinc/64/95/75/605649575.db2.gz WYSNQMIHEIFFOD-VIFPVBQESA-N -1 0 363.417 -0.479 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)NCCOc2ncccc2F)CC1 ZINC000834042664 605645338 /nfs/dbraw/zinc/64/53/38/605645338.db2.gz FYNNYTOBOFLQSE-UHFFFAOYSA-N -1 0 369.353 -0.279 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)C(=O)Nc2ccnn2CC2CC2)CC1 ZINC000834042735 605636308 /nfs/dbraw/zinc/63/63/08/605636308.db2.gz YKBGZHRLGOZWPI-UHFFFAOYSA-N -1 0 364.406 -0.357 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)C(=O)Nc2cccc3c2OCO3)CC1 ZINC000834042746 605985340 /nfs/dbraw/zinc/98/53/40/605985340.db2.gz YTSLIMMWZIXAFF-UHFFFAOYSA-N -1 0 364.358 -0.234 20 0 FBADRM O=C([O-])N1CC(CNC(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000834043296 605735020 /nfs/dbraw/zinc/73/50/20/605735020.db2.gz XZLJUGWJIKSNRB-UHFFFAOYSA-N -1 0 366.465 -0.726 20 0 FBADRM O=C([O-])N1CCc2c(cccc2NC(=O)C(=O)NCCn2ncnn2)C1 ZINC000834048007 605944821 /nfs/dbraw/zinc/94/48/21/605944821.db2.gz DLRBXJMCTAERTC-UHFFFAOYSA-N -1 0 359.346 -0.536 20 0 FBADRM O=C([O-])N1CCc2ccc(NC(=O)C(=O)NCCn3ncnn3)cc2C1 ZINC000834049003 605944726 /nfs/dbraw/zinc/94/47/26/605944726.db2.gz IZOOREVJJNULMS-UHFFFAOYSA-N -1 0 359.346 -0.536 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)C(=O)NCCn3cncn3)cc2C1 ZINC000834049501 605934258 /nfs/dbraw/zinc/93/42/58/605934258.db2.gz MMIDMXSQSUFYRS-UHFFFAOYSA-N -1 0 359.346 -0.536 20 0 FBADRM O=C([O-])N1CCCc2cc(NC(=O)C(=O)NCCn3ncnn3)ccc21 ZINC000834049926 605945114 /nfs/dbraw/zinc/94/51/14/605945114.db2.gz QETUQXZWYZOIHK-UHFFFAOYSA-N -1 0 359.346 -0.141 20 0 FBADRM O=C([O-])N1CCC[C@H](NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000834052147 605700335 /nfs/dbraw/zinc/70/03/35/605700335.db2.gz ZSNDINLZAWIHDY-GRYCIOLGSA-N -1 0 373.431 -0.719 20 0 FBADRM O=C([O-])N1CC(NC(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)C1 ZINC000834052149 605942688 /nfs/dbraw/zinc/94/26/88/605942688.db2.gz BNVJFHCWROSOCB-UHFFFAOYSA-N -1 0 371.353 -0.292 20 0 FBADRM O=C([O-])N1CCC[C@H](NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000834052150 605699716 /nfs/dbraw/zinc/69/97/16/605699716.db2.gz ZSNDINLZAWIHDY-SDDRHHMPSA-N -1 0 373.431 -0.719 20 0 FBADRM O=C([O-])N1CCC[C@H](NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000834052154 605699827 /nfs/dbraw/zinc/69/98/27/605699827.db2.gz ZSNDINLZAWIHDY-SRVKXCTJSA-N -1 0 373.431 -0.719 20 0 FBADRM O=C([O-])N1CCC[C@H](NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000834052157 605700005 /nfs/dbraw/zinc/70/00/05/605700005.db2.gz ZSNDINLZAWIHDY-WOPDTQHZSA-N -1 0 373.431 -0.719 20 0 FBADRM O=C([O-])N1CC(NC(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)C1 ZINC000834054809 605941470 /nfs/dbraw/zinc/94/14/70/605941470.db2.gz VWQUBYWYSXEKFD-UHFFFAOYSA-N -1 0 374.353 -0.248 20 0 FBADRM O=C([O-])N1CCc2cc(NC(=O)C(=O)N3CCN(CCO)CC3)ccc21 ZINC000834054993 605973755 /nfs/dbraw/zinc/97/37/55/605973755.db2.gz ZKCPVOSLIDPGIC-UHFFFAOYSA-N -1 0 362.386 -0.198 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(CN2CCOCC2)n1 ZINC000834056017 605449911 /nfs/dbraw/zinc/44/99/11/605449911.db2.gz GZPAABSOXCXPML-CHWSQXEVSA-N -1 0 350.375 -0.035 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)Nc1cccc(CN2CCOCC2)n1 ZINC000834056018 605449831 /nfs/dbraw/zinc/44/98/31/605449831.db2.gz GZPAABSOXCXPML-OLZOCXBDSA-N -1 0 350.375 -0.035 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)Nc1cccc(CN2CCOCC2)n1 ZINC000834056019 605449908 /nfs/dbraw/zinc/44/99/08/605449908.db2.gz GZPAABSOXCXPML-QWHCGFSZSA-N -1 0 350.375 -0.035 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)Nc1cccc(CN2CCOCC2)n1 ZINC000834056020 605449889 /nfs/dbraw/zinc/44/98/89/605449889.db2.gz GZPAABSOXCXPML-STQMWFEESA-N -1 0 350.375 -0.035 20 0 FBADRM O=C([O-])N1CC(NC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)C1 ZINC000834056093 605940098 /nfs/dbraw/zinc/94/00/98/605940098.db2.gz ISWRACPOBRVUKL-UHFFFAOYSA-N -1 0 371.353 -0.240 20 0 FBADRM O=C([O-])N1CC(NC(=O)C(=O)Nc2ccccc2CN2CCOCC2)C1 ZINC000834057682 605942737 /nfs/dbraw/zinc/94/27/37/605942737.db2.gz BMJDINRQQCLYGN-UHFFFAOYSA-N -1 0 362.386 -0.064 20 0 FBADRM O=C([O-])N1CC(NC(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)C1 ZINC000834058085 605942934 /nfs/dbraw/zinc/94/29/34/605942934.db2.gz HHGVERGDKGLYGI-UHFFFAOYSA-N -1 0 358.358 -0.062 20 0 FBADRM O=C([O-])N1CC(NC(=O)C(=O)Nc2cccn(CC(F)(F)F)c2=O)C1 ZINC000834058087 605943357 /nfs/dbraw/zinc/94/33/57/605943357.db2.gz HMDCSZRQZJJXLQ-UHFFFAOYSA-N -1 0 362.264 -0.173 20 0 FBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)c3ccc4n[nH]c(=O)n4c3)n2)CC1 ZINC000834058229 605765428 /nfs/dbraw/zinc/76/54/28/605765428.db2.gz LBMRJJYDUPKVQG-UHFFFAOYSA-N -1 0 373.333 -0.395 20 0 FBADRM O=C([O-])N1CC(NC(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)C1 ZINC000834059242 605941476 /nfs/dbraw/zinc/94/14/76/605941476.db2.gz ONZHBNLLSCQSQI-UHFFFAOYSA-N -1 0 374.353 -0.248 20 0 FBADRM O=C([O-])N1CCN(c2n[nH]c(NC(=O)c3cccn4c(=O)[nH]nc34)n2)CC1 ZINC000834059310 605840685 /nfs/dbraw/zinc/84/06/85/605840685.db2.gz RLKPHOYFNMQXAT-UHFFFAOYSA-N -1 0 373.333 -0.395 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)C(=O)N3CCn4cnnc4C3)cc2C1 ZINC000834061526 605934310 /nfs/dbraw/zinc/93/43/10/605934310.db2.gz CXQZRMFOOJBTEF-UHFFFAOYSA-N -1 0 371.357 -0.310 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)C(=O)N[C@@H]3CCCNC3=O)cc2C1 ZINC000834062338 605936331 /nfs/dbraw/zinc/93/63/31/605936331.db2.gz OSDWGZWGWRUGMQ-GFCCVEGCSA-N -1 0 361.358 -0.549 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)C(=O)N[C@H]3CCCNC3=O)cc2C1 ZINC000834062339 605936467 /nfs/dbraw/zinc/93/64/67/605936467.db2.gz OSDWGZWGWRUGMQ-LBPRGKRZSA-N -1 0 361.358 -0.549 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)C(=O)N3C[C@H](O)C[C@H](O)C3)cc2C1 ZINC000834062801 605936432 /nfs/dbraw/zinc/93/64/32/605936432.db2.gz SDZYBCXODZXYKY-TXEJJXNPSA-N -1 0 364.358 -0.990 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)C(=O)N3CCO[C@@H](CO)C3)cc2C1 ZINC000834063493 605936734 /nfs/dbraw/zinc/93/67/34/605936734.db2.gz YOZHTXSZUDMSOM-GFCCVEGCSA-N -1 0 364.358 -0.724 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)C(=O)N3CCO[C@H](CO)C3)cc2C1 ZINC000834063494 605936286 /nfs/dbraw/zinc/93/62/86/605936286.db2.gz YOZHTXSZUDMSOM-LBPRGKRZSA-N -1 0 364.358 -0.724 20 0 FBADRM O=C([O-])N1CC(C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC000834065704 605559426 /nfs/dbraw/zinc/55/94/26/605559426.db2.gz LNCTTXLPYJDGPQ-UHFFFAOYSA-N -1 0 358.376 -0.742 20 0 FBADRM O=C([O-])N1CC(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000834065754 605569259 /nfs/dbraw/zinc/56/92/59/605569259.db2.gz MSPVETQYTLTGLU-GFCCVEGCSA-N -1 0 361.420 -0.751 20 0 FBADRM O=C([O-])N1CC(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000834065755 605569004 /nfs/dbraw/zinc/56/90/04/605569004.db2.gz MSPVETQYTLTGLU-LBPRGKRZSA-N -1 0 361.420 -0.751 20 0 FBADRM O=C([O-])N1CC(CNC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000834066443 605773602 /nfs/dbraw/zinc/77/36/02/605773602.db2.gz GZMZFFNEMKCLPB-UHFFFAOYSA-N -1 0 367.450 -0.064 20 0 FBADRM O=C([O-])N1CC(CNC(=O)N2CCC(C(=O)N3CCOCC3)CC2)C1 ZINC000834066885 605741871 /nfs/dbraw/zinc/74/18/71/605741871.db2.gz IHFOIYYMSMZVGF-UHFFFAOYSA-N -1 0 354.407 -0.123 20 0 FBADRM O=C([O-])N1CC(CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000834067396 605739315 /nfs/dbraw/zinc/73/93/15/605739315.db2.gz NCPBSQCIMKDEPF-UHFFFAOYSA-N -1 0 353.423 -0.454 20 0 FBADRM O=C([O-])N1CC(CNC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000834067630 605771926 /nfs/dbraw/zinc/77/19/26/605771926.db2.gz MFSXYKQTEMCALM-CYBMUJFWSA-N -1 0 354.407 -0.123 20 0 FBADRM O=C([O-])N1CC(CNC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000834067633 605771943 /nfs/dbraw/zinc/77/19/43/605771943.db2.gz MFSXYKQTEMCALM-ZDUSSCGKSA-N -1 0 354.407 -0.123 20 0 FBADRM O=C([O-])N1CC(CNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000834068128 605740457 /nfs/dbraw/zinc/74/04/57/605740457.db2.gz SRTWWCWEDUQHJN-UHFFFAOYSA-N -1 0 367.406 -0.928 20 0 FBADRM O=C([O-])N1CC(CNC(=O)N2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000834068295 605774511 /nfs/dbraw/zinc/77/45/11/605774511.db2.gz VPFROXYXLOEBGC-UHFFFAOYSA-N -1 0 360.378 -0.434 20 0 FBADRM O=C([O-])N1CC(CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000834068456 605727069 /nfs/dbraw/zinc/72/70/69/605727069.db2.gz FFFHFJBDJANXBY-UHFFFAOYSA-N -1 0 354.344 -0.896 20 0 FBADRM O=C([O-])N1CC(CNS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)C1 ZINC000834068474 605727060 /nfs/dbraw/zinc/72/70/60/605727060.db2.gz FPJYIQNDIPIIKG-UHFFFAOYSA-N -1 0 360.413 -0.096 20 0 FBADRM O=C([O-])N1CC(CNC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C1 ZINC000834068897 605917237 /nfs/dbraw/zinc/91/72/37/605917237.db2.gz ZRQDBUZHMFGXNX-UHFFFAOYSA-N -1 0 360.436 -0.148 20 0 FBADRM O=C([O-])N1CC(CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C1 ZINC000834069423 605727892 /nfs/dbraw/zinc/72/78/92/605727892.db2.gz YGNIXJLGLNIYFM-UHFFFAOYSA-N -1 0 354.344 -0.071 20 0 FBADRM O=C([O-])N1CC(OCC(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)C1 ZINC000834070147 605969463 /nfs/dbraw/zinc/96/94/63/605969463.db2.gz OMQONFPYWFOYET-CYBMUJFWSA-N -1 0 369.418 -0.005 20 0 FBADRM O=C([O-])N1CC(OCC(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)C1 ZINC000834070148 605969518 /nfs/dbraw/zinc/96/95/18/605969518.db2.gz OMQONFPYWFOYET-ZDUSSCGKSA-N -1 0 369.418 -0.005 20 0 FBADRM O=C([O-])N1CC(OCC(=O)N2CC[C@@H](OCCN3CCOCC3)C2)C1 ZINC000834070212 605432466 /nfs/dbraw/zinc/43/24/66/605432466.db2.gz QTBBSEDAADUABQ-CYBMUJFWSA-N -1 0 357.407 -0.685 20 0 FBADRM O=C([O-])N1CC(OCC(=O)N2CC[C@H](OCCN3CCOCC3)C2)C1 ZINC000834070213 605432391 /nfs/dbraw/zinc/43/23/91/605432391.db2.gz QTBBSEDAADUABQ-ZDUSSCGKSA-N -1 0 357.407 -0.685 20 0 FBADRM O=C([O-])N1CC(OCC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C1 ZINC000834070311 605931294 /nfs/dbraw/zinc/93/12/94/605931294.db2.gz ULDUTSFAWRUCKN-UHFFFAOYSA-N -1 0 361.420 -0.562 20 0 FBADRM O=C([O-])N1CC(OCCC(=O)N2CCC(C(=O)N3CCOCC3)CC2)C1 ZINC000834070329 606109609 /nfs/dbraw/zinc/10/96/09/606109609.db2.gz VGOSJJKRGYCLOK-UHFFFAOYSA-N -1 0 369.418 -0.147 20 0 FBADRM O=C([O-])N1CC[C@@H](C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)C1 ZINC000834070740 605681044 /nfs/dbraw/zinc/68/10/44/605681044.db2.gz IAOUJIVDXHOKGD-GFCCVEGCSA-N -1 0 359.448 -0.292 20 0 FBADRM O=C([O-])N1CC[C@H](C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)C1 ZINC000834070742 605681084 /nfs/dbraw/zinc/68/10/84/605681084.db2.gz IAOUJIVDXHOKGD-LBPRGKRZSA-N -1 0 359.448 -0.292 20 0 FBADRM O=C([O-])N1CC(OCCC(=O)N2CCN(CCn3cncn3)CC2)C1 ZINC000834071858 605310633 /nfs/dbraw/zinc/31/06/33/605310633.db2.gz DEGCKTIISMBKHF-UHFFFAOYSA-N -1 0 352.395 -0.809 20 0 FBADRM O=C([O-])N1CC(OCCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000834072432 606077567 /nfs/dbraw/zinc/07/75/67/606077567.db2.gz GMXPUVYHYIFCFE-UHFFFAOYSA-N -1 0 368.434 -0.478 20 0 FBADRM O=C([O-])N1CC(OCCC(=O)N2CC[C@H](OCCN3CCOCC3)C2)C1 ZINC000834072933 605432206 /nfs/dbraw/zinc/43/22/06/605432206.db2.gz IOSOXZVJGMLNCT-AWEZNQCLSA-N -1 0 371.434 -0.295 20 0 FBADRM O=C([O-])N1CC(OCCC(=O)N2CC[C@@H](OCCN3CCOCC3)C2)C1 ZINC000834072936 605432668 /nfs/dbraw/zinc/43/26/68/605432668.db2.gz IOSOXZVJGMLNCT-CQSZACIVSA-N -1 0 371.434 -0.295 20 0 FBADRM O=C([O-])N1CC(OCCC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000834072974 606109733 /nfs/dbraw/zinc/10/97/33/606109733.db2.gz IXPVCILNIHWELB-CYBMUJFWSA-N -1 0 355.391 -0.395 20 0 FBADRM O=C([O-])N1CC(OCCC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000834072977 606109802 /nfs/dbraw/zinc/10/98/02/606109802.db2.gz IXPVCILNIHWELB-ZDUSSCGKSA-N -1 0 355.391 -0.395 20 0 FBADRM O=C([O-])N1CC(OCCC(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000834074820 606084662 /nfs/dbraw/zinc/08/46/62/606084662.db2.gz UGUPRORVJBHYQF-AWEZNQCLSA-N -1 0 369.418 -0.005 20 0 FBADRM O=C([O-])N1CC(OCCC(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000834074824 606084793 /nfs/dbraw/zinc/08/47/93/606084793.db2.gz UGUPRORVJBHYQF-CQSZACIVSA-N -1 0 369.418 -0.005 20 0 FBADRM O=C([O-])N1CC(OCCC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000834075271 606109808 /nfs/dbraw/zinc/10/98/08/606109808.db2.gz WMASKKPABOXPED-CYBMUJFWSA-N -1 0 369.418 -0.147 20 0 FBADRM O=C([O-])N1CC(OCCC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000834075274 606109591 /nfs/dbraw/zinc/10/95/91/606109591.db2.gz WMASKKPABOXPED-ZDUSSCGKSA-N -1 0 369.418 -0.147 20 0 FBADRM O=C([O-])N1CC[C@H](CCNC(=O)N(CCO)CCN2CCOCC2)C1 ZINC000834075824 605936955 /nfs/dbraw/zinc/93/69/55/605936955.db2.gz UIRPTUMXOQGVKA-AWEZNQCLSA-N -1 0 358.439 -0.288 20 0 FBADRM O=C([O-])N1CC[C@@H](CCNC(=O)N(CCO)CCN2CCOCC2)C1 ZINC000834075825 605936939 /nfs/dbraw/zinc/93/69/39/605936939.db2.gz UIRPTUMXOQGVKA-CQSZACIVSA-N -1 0 358.439 -0.288 20 0 FBADRM O=C([O-])N1CC[C@@H](CCC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000834077823 605454678 /nfs/dbraw/zinc/45/46/78/605454678.db2.gz YYBCJXFESLTMQP-GFCCVEGCSA-N -1 0 365.394 -0.876 20 0 FBADRM O=C([O-])N1CC[C@H](CCC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000834077836 605454198 /nfs/dbraw/zinc/45/41/98/605454198.db2.gz YYBCJXFESLTMQP-LBPRGKRZSA-N -1 0 365.394 -0.876 20 0 FBADRM O=C([O-])N1CC[C@@H](CNS(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000834078545 605429376 /nfs/dbraw/zinc/42/93/76/605429376.db2.gz RDWHGUXGLYQBCS-JTQLQIEISA-N -1 0 352.376 -0.060 20 0 FBADRM O=C([O-])N1CC[C@H](CNS(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000834078547 605429158 /nfs/dbraw/zinc/42/91/58/605429158.db2.gz RDWHGUXGLYQBCS-SNVBAGLBSA-N -1 0 352.376 -0.060 20 0 FBADRM O=C([O-])N1CC[C@@H](CNS(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000834078825 605426646 /nfs/dbraw/zinc/42/66/46/605426646.db2.gz VWXHGVAXXSSZRA-JTQLQIEISA-N -1 0 352.376 -0.060 20 0 FBADRM O=C([O-])N1CC[C@H](CNS(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000834078827 605426942 /nfs/dbraw/zinc/42/69/42/605426942.db2.gz VWXHGVAXXSSZRA-SNVBAGLBSA-N -1 0 352.376 -0.060 20 0 FBADRM O=C([O-])N1CC[C@H](CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000834079005 605428775 /nfs/dbraw/zinc/42/87/75/605428775.db2.gz ZMSHZJRMEYHKTL-MRVPVSSYSA-N -1 0 368.371 -0.505 20 0 FBADRM O=C([O-])N1CC[C@@H](CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000834079009 605428981 /nfs/dbraw/zinc/42/89/81/605428981.db2.gz ZMSHZJRMEYHKTL-QMMMGPOBSA-N -1 0 368.371 -0.505 20 0 FBADRM O=C([O-])N1CCC(CNC(=O)N(CCO)CCN2CCOCC2)CC1 ZINC000834079948 605935440 /nfs/dbraw/zinc/93/54/40/605935440.db2.gz XFTMVMCJPWQNKT-UHFFFAOYSA-N -1 0 358.439 -0.288 20 0 FBADRM O=C([O-])N1CCC(CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)CC1 ZINC000834080073 605330207 /nfs/dbraw/zinc/33/02/07/605330207.db2.gz ZYEYHQOWUWVGKP-KBPBESRZSA-N -1 0 361.464 -0.848 20 0 FBADRM O=C([O-])N1CCC(CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)CC1 ZINC000834080074 605329375 /nfs/dbraw/zinc/32/93/75/605329375.db2.gz ZYEYHQOWUWVGKP-KGLIPLIRSA-N -1 0 361.464 -0.848 20 0 FBADRM O=C([O-])N1CCC(CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)CC1 ZINC000834080075 605330047 /nfs/dbraw/zinc/33/00/47/605330047.db2.gz ZYEYHQOWUWVGKP-UONOGXRCSA-N -1 0 361.464 -0.848 20 0 FBADRM O=C([O-])N1CCC(CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)CC1 ZINC000834080076 605329737 /nfs/dbraw/zinc/32/97/37/605329737.db2.gz ZYEYHQOWUWVGKP-ZIAGYGMSSA-N -1 0 361.464 -0.848 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)N3CCOC[C@H]3CCO)nn2)CC1 ZINC000834083473 605545194 /nfs/dbraw/zinc/54/51/94/605545194.db2.gz GTHWNGGIAGBPLH-GFCCVEGCSA-N -1 0 353.379 -0.184 20 0 FBADRM O=C([O-])N1CCC(n2cc(C(=O)N3CCOC[C@@H]3CCO)nn2)CC1 ZINC000834083474 605545260 /nfs/dbraw/zinc/54/52/60/605545260.db2.gz GTHWNGGIAGBPLH-LBPRGKRZSA-N -1 0 353.379 -0.184 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)C1 ZINC000834084567 605999174 /nfs/dbraw/zinc/99/91/74/605999174.db2.gz MMYOCQHAZGSRPL-DDTOSNHZSA-N -1 0 364.395 -0.069 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)C1 ZINC000834084568 605999216 /nfs/dbraw/zinc/99/92/16/605999216.db2.gz MMYOCQHAZGSRPL-LERXQTSPSA-N -1 0 364.395 -0.069 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)C1 ZINC000834084569 605999191 /nfs/dbraw/zinc/99/91/91/605999191.db2.gz MMYOCQHAZGSRPL-LEWSCRJBSA-N -1 0 364.395 -0.069 20 0 FBADRM O=C([O-])N1CC[C@](F)(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)C1 ZINC000834084570 605999159 /nfs/dbraw/zinc/99/91/59/605999159.db2.gz MMYOCQHAZGSRPL-ZLKJLUDKSA-N -1 0 364.395 -0.069 20 0 FBADRM O=C([O-])N1CC[C@]2(C1)NC(=O)N(CC(=O)N1CCOC[C@@H]1C1CC1)C2=O ZINC000834085688 606000388 /nfs/dbraw/zinc/00/03/88/606000388.db2.gz MVBLIBXUQLPILP-BDJLRTHQSA-N -1 0 366.374 -0.702 20 0 FBADRM O=C([O-])N1CC[C@@]2(C1)NC(=O)N(CC(=O)N1CCOC[C@@H]1C1CC1)C2=O ZINC000834085691 606000325 /nfs/dbraw/zinc/00/03/25/606000325.db2.gz MVBLIBXUQLPILP-BZNIZROVSA-N -1 0 366.374 -0.702 20 0 FBADRM O=C([O-])N1CC[C@]2(C1)NC(=O)N(CC(=O)N1CCOC[C@H]1C1CC1)C2=O ZINC000834085693 606000199 /nfs/dbraw/zinc/00/01/99/606000199.db2.gz MVBLIBXUQLPILP-MEDUHNTESA-N -1 0 366.374 -0.702 20 0 FBADRM O=C([O-])N1CC[C@@]2(C1)NC(=O)N(CC(=O)N1CCOC[C@H]1C1CC1)C2=O ZINC000834085695 606000275 /nfs/dbraw/zinc/00/02/75/606000275.db2.gz MVBLIBXUQLPILP-ZBEGNZNMSA-N -1 0 366.374 -0.702 20 0 FBADRM O=C([O-])N1CC[C@@H](NC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C1 ZINC000834085837 605917272 /nfs/dbraw/zinc/91/72/72/605917272.db2.gz SURVFGNLJXKNKL-LLVKDONJSA-N -1 0 360.436 -0.006 20 0 FBADRM O=C([O-])N1CC[C@H](NC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C1 ZINC000834085844 605917039 /nfs/dbraw/zinc/91/70/39/605917039.db2.gz SURVFGNLJXKNKL-NSHDSACASA-N -1 0 360.436 -0.006 20 0 FBADRM O=C([O-])N1CCC2(CCN(C(=O)C3=NN(CCO)C(=O)CC3)C2)CC1 ZINC000834088812 605906499 /nfs/dbraw/zinc/90/64/99/605906499.db2.gz RKCGFOOKWRPWKG-UHFFFAOYSA-N -1 0 352.391 -0.050 20 0 FBADRM O=C([O-])N1CCC2(C[C@H]2C(=O)N(CCO)CCN2CCOCC2)CC1 ZINC000834089413 605969574 /nfs/dbraw/zinc/96/95/74/605969574.db2.gz RUFDORPTQZNAIS-AWEZNQCLSA-N -1 0 355.435 -0.080 20 0 FBADRM O=C([O-])N1CCC2(C[C@@H]2C(=O)N(CCO)CCN2CCOCC2)CC1 ZINC000834089414 605969454 /nfs/dbraw/zinc/96/94/54/605969454.db2.gz RUFDORPTQZNAIS-CQSZACIVSA-N -1 0 355.435 -0.080 20 0 FBADRM O=C([O-])N1CCC2(CCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 ZINC000834090394 605908440 /nfs/dbraw/zinc/90/84/40/605908440.db2.gz MQOMEYNWMDIARO-UHFFFAOYSA-N -1 0 359.448 -0.291 20 0 FBADRM O=C([O-])N1CCC2(CCN(C(=O)NCCN3C(=O)CNC3=O)C2)CC1 ZINC000834090660 605891668 /nfs/dbraw/zinc/89/16/68/605891668.db2.gz QKLQJCFAOSGEIA-UHFFFAOYSA-N -1 0 353.379 -0.286 20 0 FBADRM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCN1C(=O)CNC1=O ZINC000834092857 605978375 /nfs/dbraw/zinc/97/83/75/605978375.db2.gz JRLNAJVRZUAWRU-MNOVXSKESA-N -1 0 353.379 -0.145 20 0 FBADRM O=C([O-])N1CCC2(CC1)NC(=O)N(CC1CCS(=O)(=O)CC1)C2=O ZINC000834093327 605405250 /nfs/dbraw/zinc/40/52/50/605405250.db2.gz JYHOXUUNKRTHLP-UHFFFAOYSA-N -1 0 359.404 -0.124 20 0 FBADRM O=C([O-])N1CCC2(CC1)NC(=O)N(CCN1CCCS1(=O)=O)C2=O ZINC000834094685 605951187 /nfs/dbraw/zinc/95/11/87/605951187.db2.gz ULNPYQALZYZRED-UHFFFAOYSA-N -1 0 360.392 -0.914 20 0 FBADRM O=C([O-])N1CCC[C@@H](CNC(=O)N(CCO)CCN2CCOCC2)C1 ZINC000834097996 605935059 /nfs/dbraw/zinc/93/50/59/605935059.db2.gz GCCYNHYDFASXRO-AWEZNQCLSA-N -1 0 358.439 -0.288 20 0 FBADRM O=C([O-])N1CCC[C@H](CNC(=O)N(CCO)CCN2CCOCC2)C1 ZINC000834097997 605934998 /nfs/dbraw/zinc/93/49/98/605934998.db2.gz GCCYNHYDFASXRO-CQSZACIVSA-N -1 0 358.439 -0.288 20 0 FBADRM O=C([O-])N1CCC[C@H](n2cc(C(=O)N3CCN(CCO)CC3)cn2)C1 ZINC000834101785 605527283 /nfs/dbraw/zinc/52/72/83/605527283.db2.gz AGBCYGUVKYJDLZ-AWEZNQCLSA-N -1 0 351.407 -0.052 20 0 FBADRM O=C([O-])N1CCC[C@@H](n2cc(C(=O)N3CCN(CCO)CC3)cn2)C1 ZINC000834101787 605526984 /nfs/dbraw/zinc/52/69/84/605526984.db2.gz AGBCYGUVKYJDLZ-CQSZACIVSA-N -1 0 351.407 -0.052 20 0 FBADRM O=C([O-])N1CCCN(C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000834104333 605633514 /nfs/dbraw/zinc/63/35/14/605633514.db2.gz RRBQLSJVCNHUGR-UHFFFAOYSA-N -1 0 371.419 -0.245 20 0 FBADRM O=C([O-])N1CCC[C@H](OCC(=O)N(CCO)CCN2CCOCC2)C1 ZINC000834107848 661159879 /nfs/dbraw/zinc/15/98/79/661159879.db2.gz ZTZRIUIRSYSYLI-AWEZNQCLSA-N -1 0 359.423 -0.702 20 0 FBADRM O=C([O-])N1CCC[C@@H](OCC(=O)N(CCO)CCN2CCOCC2)C1 ZINC000834107850 661159828 /nfs/dbraw/zinc/15/98/28/661159828.db2.gz ZTZRIUIRSYSYLI-CQSZACIVSA-N -1 0 359.423 -0.702 20 0 FBADRM O=C([O-])N1CCCC[C@H](NC(=O)N(CCO)CCN2CCOCC2)C1 ZINC000834108700 605938308 /nfs/dbraw/zinc/93/83/08/605938308.db2.gz ORWQYVNBIBOVPP-AWEZNQCLSA-N -1 0 358.439 -0.145 20 0 FBADRM O=C([O-])N1CCCC[C@@H](NC(=O)N(CCO)CCN2CCOCC2)C1 ZINC000834108703 605938236 /nfs/dbraw/zinc/93/82/36/605938236.db2.gz ORWQYVNBIBOVPP-CQSZACIVSA-N -1 0 358.439 -0.145 20 0 FBADRM O=C([O-])N1CCC[C@H]1CN1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000834111287 605481490 /nfs/dbraw/zinc/48/14/90/605481490.db2.gz GLTJOEGXCFGYLT-ZDUSSCGKSA-N -1 0 362.452 -0.677 20 0 FBADRM O=C([O-])N1CCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000834111772 605983449 /nfs/dbraw/zinc/98/34/49/605983449.db2.gz BTVDYAMNKWKDJV-UHFFFAOYSA-N -1 0 364.343 -0.161 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)N2CCN3C(=O)OCC[C@@H]3C2)CC1 ZINC000834112482 605823170 /nfs/dbraw/zinc/82/31/70/605823170.db2.gz ARENYNILCRWYGK-CYBMUJFWSA-N -1 0 369.422 -0.092 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)N2CCN3C(=O)OCC[C@H]3C2)CC1 ZINC000834112483 605823223 /nfs/dbraw/zinc/82/32/23/605823223.db2.gz ARENYNILCRWYGK-ZDUSSCGKSA-N -1 0 369.422 -0.092 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCOCC3(CCOCC3)C2)C(=O)C1 ZINC000834112510 605575462 /nfs/dbraw/zinc/57/54/62/605575462.db2.gz BZTFAESJGSUIOU-UHFFFAOYSA-N -1 0 355.391 -0.536 20 0 FBADRM O=C([O-])N1CCN(CCNS(=O)(=O)c2ccc3c(c2)OCO3)CC1 ZINC000834112525 605396782 /nfs/dbraw/zinc/39/67/82/605396782.db2.gz CJTMUWIYVLYBMY-UHFFFAOYSA-N -1 0 357.388 -0.011 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCN(c3ccc(F)cn3)CC2)C(=O)C1 ZINC000834112567 605954023 /nfs/dbraw/zinc/95/40/23/605954023.db2.gz AEIANCHORMTPHM-UHFFFAOYSA-N -1 0 365.365 -0.309 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC[C@@H](Cn3ccnn3)C2)C(=O)C1 ZINC000834112612 605928591 /nfs/dbraw/zinc/92/85/91/605928591.db2.gz AZQCPKJALWATLE-GFCCVEGCSA-N -1 0 350.379 -0.661 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC[C@H](Cn3ccnn3)C2)C(=O)C1 ZINC000834112614 605928377 /nfs/dbraw/zinc/92/83/77/605928377.db2.gz AZQCPKJALWATLE-LBPRGKRZSA-N -1 0 350.379 -0.661 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CCC[C@H](Cn3ccnn3)C2)CC1 ZINC000834112693 605950780 /nfs/dbraw/zinc/95/07/80/605950780.db2.gz HMKIZWOGPNVPKY-AWEZNQCLSA-N -1 0 365.438 -0.005 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CCC[C@@H](Cn3ccnn3)C2)CC1 ZINC000834112695 605950704 /nfs/dbraw/zinc/95/07/04/605950704.db2.gz HMKIZWOGPNVPKY-CQSZACIVSA-N -1 0 365.438 -0.005 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CCC(Cn3ccnn3)CC2)CC1 ZINC000834112778 605967393 /nfs/dbraw/zinc/96/73/93/605967393.db2.gz IWLOPUWAYRXPNJ-UHFFFAOYSA-N -1 0 365.438 -0.005 20 0 FBADRM O=C([O-])N1CCN(CCNS(=O)(=O)c2cn3c(n2)CCCC3)CC1 ZINC000834112824 605754141 /nfs/dbraw/zinc/75/41/41/605754141.db2.gz JORNZMFAVQLAMZ-UHFFFAOYSA-N -1 0 357.436 -0.207 20 0 FBADRM O=C([O-])N1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000834112846 605633580 /nfs/dbraw/zinc/63/35/80/605633580.db2.gz HAESLLZYGBLSAM-UHFFFAOYSA-N -1 0 357.392 -0.635 20 0 FBADRM O=C([O-])N1CCN(CCNS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CC1 ZINC000834112921 605869048 /nfs/dbraw/zinc/86/90/48/605869048.db2.gz LCFYGFVQQGEFER-GFCCVEGCSA-N -1 0 373.435 -0.582 20 0 FBADRM O=C([O-])N1CCN(CCNS(=O)(=O)c2cnn([C@H]3CCOC3)c2)CC1 ZINC000834112923 605869221 /nfs/dbraw/zinc/86/92/21/605869221.db2.gz LCFYGFVQQGEFER-LBPRGKRZSA-N -1 0 373.435 -0.582 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC(O)(C(F)(F)F)CC2)C(=O)C1 ZINC000834112939 605609793 /nfs/dbraw/zinc/60/97/93/605609793.db2.gz IUEQGDXARPUQNR-UHFFFAOYSA-N -1 0 353.297 -0.276 20 0 FBADRM O=C([O-])N1CCN(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC000834113075 606006682 /nfs/dbraw/zinc/00/66/82/606006682.db2.gz LDNUQIISMRSOAX-BXUZGUMPSA-N -1 0 361.420 -0.272 20 0 FBADRM O=C([O-])N1CCN(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC000834113078 606006583 /nfs/dbraw/zinc/00/65/83/606006583.db2.gz LDNUQIISMRSOAX-FZMZJTMJSA-N -1 0 361.420 -0.272 20 0 FBADRM O=C([O-])N1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC000834113080 606006654 /nfs/dbraw/zinc/00/66/54/606006654.db2.gz LDNUQIISMRSOAX-RISCZKNCSA-N -1 0 361.420 -0.272 20 0 FBADRM O=C([O-])N1CCN(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC000834113083 606006780 /nfs/dbraw/zinc/00/67/80/606006780.db2.gz LDNUQIISMRSOAX-SMDDNHRTSA-N -1 0 361.420 -0.272 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CC(=O)N(Cc3ccccc3)C2)C(=O)C1 ZINC000834113085 605857465 /nfs/dbraw/zinc/85/74/65/605857465.db2.gz LGXXTSHVNAYKCF-UHFFFAOYSA-N -1 0 360.370 -0.363 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCN(c3ncccc3F)CC2)C(=O)C1 ZINC000834113109 605637945 /nfs/dbraw/zinc/63/79/45/605637945.db2.gz MFONWGBCPSKJBD-UHFFFAOYSA-N -1 0 365.365 -0.309 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)N2CCC(OCCO)CC2)CC1 ZINC000834113183 605367432 /nfs/dbraw/zinc/36/74/32/605367432.db2.gz RFSQRTKYDABURO-UHFFFAOYSA-N -1 0 358.439 -0.145 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)C(=O)C1 ZINC000834113329 605665294 /nfs/dbraw/zinc/66/52/94/605665294.db2.gz PVAWWVYMNIPNFK-GZMMTYOYSA-N -1 0 353.297 -0.277 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)C(=O)C1 ZINC000834113330 605665375 /nfs/dbraw/zinc/66/53/75/605665375.db2.gz PVAWWVYMNIPNFK-KCJUWKMLSA-N -1 0 353.297 -0.277 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)C(=O)C1 ZINC000834113331 605665190 /nfs/dbraw/zinc/66/51/90/605665190.db2.gz PVAWWVYMNIPNFK-KWQFWETISA-N -1 0 353.297 -0.277 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)C(=O)C1 ZINC000834113332 605665283 /nfs/dbraw/zinc/66/52/83/605665283.db2.gz PVAWWVYMNIPNFK-LDYMZIIASA-N -1 0 353.297 -0.277 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CCN3C(=O)OCC[C@@H]3C2)CC1 ZINC000834113417 605823006 /nfs/dbraw/zinc/82/30/06/605823006.db2.gz VJHAZMVRSUZBLF-GFCCVEGCSA-N -1 0 355.395 -0.482 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CCN3C(=O)OCC[C@H]3C2)CC1 ZINC000834113419 605823039 /nfs/dbraw/zinc/82/30/39/605823039.db2.gz VJHAZMVRSUZBLF-LBPRGKRZSA-N -1 0 355.395 -0.482 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC(N3CCCNC3=O)CC2)C(=O)C1 ZINC000834113599 605741718 /nfs/dbraw/zinc/74/17/18/605741718.db2.gz SNQYCZCNOWINNZ-UHFFFAOYSA-N -1 0 367.406 -0.785 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000834113628 605672072 /nfs/dbraw/zinc/67/20/72/605672072.db2.gz UJNRGEUBBBBCFB-UHFFFAOYSA-N -1 0 367.450 -0.951 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)N2CCCS(=O)(=O)CC2)CC1 ZINC000834113690 605455603 /nfs/dbraw/zinc/45/56/03/605455603.db2.gz ZREDNSFNHSAJLS-UHFFFAOYSA-N -1 0 362.452 -0.498 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CCC(Cn3ccnn3)CC2)C(=O)C1 ZINC000834113933 605976824 /nfs/dbraw/zinc/97/68/24/605976824.db2.gz ZRNIOZLOFHWWHD-UHFFFAOYSA-N -1 0 350.379 -0.661 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCO3)CC1 ZINC000834114668 605396730 /nfs/dbraw/zinc/39/67/30/605396730.db2.gz FKLLHJLZCMVHQR-UHFFFAOYSA-N -1 0 371.371 -0.484 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNS(=O)(=O)c2cn3c(n2)CCCC3)CC1 ZINC000834114720 605754004 /nfs/dbraw/zinc/75/40/04/605754004.db2.gz FTXBDNBBXMOCLS-UHFFFAOYSA-N -1 0 371.419 -0.680 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@]3(O)CCSC3)C2)CC1 ZINC000834114727 606018187 /nfs/dbraw/zinc/01/81/87/606018187.db2.gz FWTHEPUBHCUTCA-BLLLJJGKSA-N -1 0 371.459 -0.085 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@H]2CCCN(C(=O)[C@]3(O)CCSC3)C2)CC1 ZINC000834114740 606018258 /nfs/dbraw/zinc/01/82/58/606018258.db2.gz FWTHEPUBHCUTCA-LRDDRELGSA-N -1 0 371.459 -0.085 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@]3(O)CCSC3)C2)CC1 ZINC000834114744 606018202 /nfs/dbraw/zinc/01/82/02/606018202.db2.gz FWTHEPUBHCUTCA-MLGOLLRUSA-N -1 0 371.459 -0.085 20 0 FBADRM O=C([O-])N1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@]3(O)CCSC3)C2)CC1 ZINC000834114748 606018916 /nfs/dbraw/zinc/01/89/16/606018916.db2.gz FWTHEPUBHCUTCA-WBMJQRKESA-N -1 0 371.459 -0.085 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)C2(N3CCOCC3)CCC2)CC1 ZINC000834115174 605973421 /nfs/dbraw/zinc/97/34/21/605973421.db2.gz JFUULWMJHKFBJS-UHFFFAOYSA-N -1 0 354.407 -0.820 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(CC3(O)CCCCC3)C2)CC1 ZINC000834115245 605765660 /nfs/dbraw/zinc/76/56/60/605765660.db2.gz ADQXVFABMCGVLK-UHFFFAOYSA-N -1 0 361.464 -0.009 20 0 FBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CC[C@@H](OCCN3CCOCC3)C2)C1 ZINC000834115253 605432265 /nfs/dbraw/zinc/43/22/65/605432265.db2.gz ALYGBCYZCQFUFO-CABCVRRESA-N -1 0 371.434 -0.295 20 0 FBADRM O=C([O-])N1CCO[C@@H](CC(=O)N2CC[C@H](OCCN3CCOCC3)C2)C1 ZINC000834115254 605431984 /nfs/dbraw/zinc/43/19/84/605431984.db2.gz ALYGBCYZCQFUFO-GJZGRUSLSA-N -1 0 371.434 -0.295 20 0 FBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CC[C@@H](OCCN3CCOCC3)C2)C1 ZINC000834115255 605432520 /nfs/dbraw/zinc/43/25/20/605432520.db2.gz ALYGBCYZCQFUFO-HUUCEWRRSA-N -1 0 371.434 -0.295 20 0 FBADRM O=C([O-])N1CCO[C@H](CC(=O)N2CC[C@H](OCCN3CCOCC3)C2)C1 ZINC000834115256 605432198 /nfs/dbraw/zinc/43/21/98/605432198.db2.gz ALYGBCYZCQFUFO-LSDHHAIUSA-N -1 0 371.434 -0.295 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)N2CC[C@H](OCCN3CCOCC3)C2)C1 ZINC000834115259 605432531 /nfs/dbraw/zinc/43/25/31/605432531.db2.gz ARBBENSHFIBQOD-KBPBESRZSA-N -1 0 357.407 -0.685 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)N2CC[C@@H](OCCN3CCOCC3)C2)C1 ZINC000834115260 605432135 /nfs/dbraw/zinc/43/21/35/605432135.db2.gz ARBBENSHFIBQOD-KGLIPLIRSA-N -1 0 357.407 -0.685 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CC[C@H](OCCN3CCOCC3)C2)C1 ZINC000834115261 605432709 /nfs/dbraw/zinc/43/27/09/605432709.db2.gz ARBBENSHFIBQOD-UONOGXRCSA-N -1 0 357.407 -0.685 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CC[C@@H](OCCN3CCOCC3)C2)C1 ZINC000834115262 605432443 /nfs/dbraw/zinc/43/24/43/605432443.db2.gz ARBBENSHFIBQOD-ZIAGYGMSSA-N -1 0 357.407 -0.685 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(Cc3ccc(CO)o3)C2)CC1 ZINC000834115280 605623070 /nfs/dbraw/zinc/62/30/70/605623070.db2.gz BBQGEMCVOGYKHV-UHFFFAOYSA-N -1 0 359.404 -0.419 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCN3C(=O)OCC[C@@H]3C2)CC1 ZINC000834115492 605815584 /nfs/dbraw/zinc/81/55/84/605815584.db2.gz KSTILYHQUJPBCK-LLVKDONJSA-N -1 0 369.378 -0.955 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCN3C(=O)OCC[C@H]3C2)CC1 ZINC000834115496 605815772 /nfs/dbraw/zinc/81/57/72/605815772.db2.gz KSTILYHQUJPBCK-NSHDSACASA-N -1 0 369.378 -0.955 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCSC[C@H]2CCO)CC1 ZINC000834115514 605966804 /nfs/dbraw/zinc/96/68/04/605966804.db2.gz KVSJKCLLHGBSJI-LLVKDONJSA-N -1 0 360.436 -0.682 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCSC[C@@H]2CCO)CC1 ZINC000834115520 605966845 /nfs/dbraw/zinc/96/68/45/605966845.db2.gz KVSJKCLLHGBSJI-NSHDSACASA-N -1 0 360.436 -0.682 20 0 FBADRM O=C([O-])N1CCN(C(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)CC1 ZINC000834115851 605346298 /nfs/dbraw/zinc/34/62/98/605346298.db2.gz NDFPKPMSXZGEDY-CYBMUJFWSA-N -1 0 360.370 -0.028 20 0 FBADRM O=C([O-])N1CCN(C(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000834115853 605346117 /nfs/dbraw/zinc/34/61/17/605346117.db2.gz NDFPKPMSXZGEDY-ZDUSSCGKSA-N -1 0 360.370 -0.028 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)c3cccc(F)n3)C2)CC1 ZINC000834116022 605940510 /nfs/dbraw/zinc/94/05/10/605940510.db2.gz HBOSDRDORNHXMZ-UHFFFAOYSA-N -1 0 372.378 -0.330 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000834116376 605791198 /nfs/dbraw/zinc/79/11/98/605791198.db2.gz SOQHECCJMVHNSL-CHWSQXEVSA-N -1 0 354.407 -0.123 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000834116378 605791223 /nfs/dbraw/zinc/79/12/23/605791223.db2.gz SOQHECCJMVHNSL-OLZOCXBDSA-N -1 0 354.407 -0.123 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000834116381 605791239 /nfs/dbraw/zinc/79/12/39/605791239.db2.gz SOQHECCJMVHNSL-QWHCGFSZSA-N -1 0 354.407 -0.123 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000834116382 605791227 /nfs/dbraw/zinc/79/12/27/605791227.db2.gz SOQHECCJMVHNSL-STQMWFEESA-N -1 0 354.407 -0.123 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(CCCn3ccnc3)C2)CC1 ZINC000834116416 606004658 /nfs/dbraw/zinc/00/46/58/606004658.db2.gz JRAMXFHGHDTESR-UHFFFAOYSA-N -1 0 357.436 -0.417 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNS(=O)(=O)c2cncc(Cl)c2)CC1 ZINC000834116789 606019478 /nfs/dbraw/zinc/01/94/78/606019478.db2.gz UCJPBHUCASUPAE-UHFFFAOYSA-N -1 0 362.795 -0.165 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCCC3(C2)OCCO3)CC1 ZINC000834116837 605455669 /nfs/dbraw/zinc/45/56/69/605455669.db2.gz UHNFZIWERVIOHW-UHFFFAOYSA-N -1 0 356.379 -0.643 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCN4C(=O)OCC[C@@H]4C3)C[C@@H]2C1 ZINC000834116876 605795941 /nfs/dbraw/zinc/79/59/41/605795941.db2.gz NBWZOKHHBDCSHJ-NEPJUHHUSA-N -1 0 353.379 -0.430 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCN4C(=O)OCC[C@H]4C3)C[C@H]2C1 ZINC000834116881 605795745 /nfs/dbraw/zinc/79/57/45/605795745.db2.gz NBWZOKHHBDCSHJ-NWDGAFQWSA-N -1 0 353.379 -0.430 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCN4C(=O)OCC[C@H]4C3)C[C@@H]2C1 ZINC000834116884 605795960 /nfs/dbraw/zinc/79/59/60/605795960.db2.gz NBWZOKHHBDCSHJ-RYUDHWBXSA-N -1 0 353.379 -0.430 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCN4C(=O)OCC[C@@H]4C3)C[C@H]2C1 ZINC000834116887 605795947 /nfs/dbraw/zinc/79/59/47/605795947.db2.gz NBWZOKHHBDCSHJ-VXGBXAGGSA-N -1 0 353.379 -0.430 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3[C@H]4CCCO[C@H]43)C2)CC1 ZINC000834117011 605783842 /nfs/dbraw/zinc/78/38/42/605783842.db2.gz OQDJBDBYXCENOP-JHJVBQTASA-N -1 0 373.431 -0.752 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3[C@@H]4CCCO[C@H]34)C2)CC1 ZINC000834117014 605783773 /nfs/dbraw/zinc/78/37/73/605783773.db2.gz OQDJBDBYXCENOP-XQQFMLRXSA-N -1 0 373.431 -0.752 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(Cc3ccc(CO)cc3)C2)CC1 ZINC000834117204 605552223 /nfs/dbraw/zinc/55/22/23/605552223.db2.gz QFLVGQNFMJLVNF-UHFFFAOYSA-N -1 0 369.443 -0.012 20 0 FBADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)Cc3ccncc3)C2)CC1 ZINC000834117343 605735070 /nfs/dbraw/zinc/73/50/70/605735070.db2.gz QSJXXWZKCLJAFR-UHFFFAOYSA-N -1 0 368.415 -0.540 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)C1 ZINC000834117614 605969465 /nfs/dbraw/zinc/96/94/65/605969465.db2.gz SFYGGGPHYQQHHH-KBPBESRZSA-N -1 0 369.418 -0.005 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)C1 ZINC000834117616 605969531 /nfs/dbraw/zinc/96/95/31/605969531.db2.gz SFYGGGPHYQQHHH-KGLIPLIRSA-N -1 0 369.418 -0.005 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)C1 ZINC000834117617 605969457 /nfs/dbraw/zinc/96/94/57/605969457.db2.gz SFYGGGPHYQQHHH-UONOGXRCSA-N -1 0 369.418 -0.005 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)C1 ZINC000834117618 605969551 /nfs/dbraw/zinc/96/95/51/605969551.db2.gz SFYGGGPHYQQHHH-ZIAGYGMSSA-N -1 0 369.418 -0.005 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C1 ZINC000834117676 605931880 /nfs/dbraw/zinc/93/18/80/605931880.db2.gz SSKRYIBXBDSPBJ-GFCCVEGCSA-N -1 0 361.420 -0.562 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C1 ZINC000834117678 605931898 /nfs/dbraw/zinc/93/18/98/605931898.db2.gz SSKRYIBXBDSPBJ-LBPRGKRZSA-N -1 0 361.420 -0.562 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)N3CCN(C(=O)CO)CC3)cc2C1 ZINC000834119527 605929374 /nfs/dbraw/zinc/92/93/74/605929374.db2.gz DMKYRFOKEFAHOC-UHFFFAOYSA-N -1 0 363.374 -0.214 20 0 FBADRM O=C([O-])N[C@H](CC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)C1CC1 ZINC000834119783 605645720 /nfs/dbraw/zinc/64/57/20/605645720.db2.gz ACGNYRMDLMYYQW-CYBMUJFWSA-N -1 0 366.418 -0.284 20 0 FBADRM O=C([O-])N[C@@H](CC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)C1CC1 ZINC000834119785 605645531 /nfs/dbraw/zinc/64/55/31/605645531.db2.gz ACGNYRMDLMYYQW-ZDUSSCGKSA-N -1 0 366.418 -0.284 20 0 FBADRM O=C([O-])N[C@H](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C1CC1 ZINC000834120830 605606549 /nfs/dbraw/zinc/60/65/49/605606549.db2.gz FDGYQMFHLXQLIP-CHWSQXEVSA-N -1 0 359.448 -0.246 20 0 FBADRM O=C([O-])N[C@@H](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C1CC1 ZINC000834120834 605606577 /nfs/dbraw/zinc/60/65/77/605606577.db2.gz FDGYQMFHLXQLIP-OLZOCXBDSA-N -1 0 359.448 -0.246 20 0 FBADRM O=C([O-])N[C@H](CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C1CC1 ZINC000834120838 605606808 /nfs/dbraw/zinc/60/68/08/605606808.db2.gz FDGYQMFHLXQLIP-QWHCGFSZSA-N -1 0 359.448 -0.246 20 0 FBADRM O=C([O-])N[C@@H](CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C1CC1 ZINC000834120843 605606813 /nfs/dbraw/zinc/60/68/13/605606813.db2.gz FDGYQMFHLXQLIP-STQMWFEESA-N -1 0 359.448 -0.246 20 0 FBADRM O=C([O-])N[C@@H](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CC1 ZINC000834122789 605606645 /nfs/dbraw/zinc/60/66/45/605606645.db2.gz OSZTZFASZWIQDT-AWEZNQCLSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N[C@H](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CC1 ZINC000834122790 605606554 /nfs/dbraw/zinc/60/65/54/605606554.db2.gz OSZTZFASZWIQDT-CQSZACIVSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N[C@H](CC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C1CC1 ZINC000834123436 605642754 /nfs/dbraw/zinc/64/27/54/605642754.db2.gz RWWZBUXZHYSYBG-GFCCVEGCSA-N -1 0 352.391 -0.628 20 0 FBADRM O=C([O-])N[C@@H](CC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C1CC1 ZINC000834123438 605642955 /nfs/dbraw/zinc/64/29/55/605642955.db2.gz RWWZBUXZHYSYBG-LBPRGKRZSA-N -1 0 352.391 -0.628 20 0 FBADRM O=C([O-])N[C@@H](CC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C1CC1 ZINC000834124458 605617217 /nfs/dbraw/zinc/61/72/17/605617217.db2.gz XOVKLMMMHHXNCB-AWEZNQCLSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N[C@H](CC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C1CC1 ZINC000834124460 605616971 /nfs/dbraw/zinc/61/69/71/605616971.db2.gz XOVKLMMMHHXNCB-CQSZACIVSA-N -1 0 368.434 -0.574 20 0 FBADRM O=C([O-])N[C@H](CC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000834124787 605639230 /nfs/dbraw/zinc/63/92/30/605639230.db2.gz IYVDOAOMOCWNQT-GHMZBOCLSA-N -1 0 361.420 -0.768 20 0 FBADRM O=C([O-])N[C@@H](CC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000834124788 605639706 /nfs/dbraw/zinc/63/97/06/605639706.db2.gz IYVDOAOMOCWNQT-MNOVXSKESA-N -1 0 361.420 -0.768 20 0 FBADRM O=C([O-])N[C@@H](CC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000834124789 605639178 /nfs/dbraw/zinc/63/91/78/605639178.db2.gz IYVDOAOMOCWNQT-QWRGUYRKSA-N -1 0 361.420 -0.768 20 0 FBADRM O=C([O-])N[C@H](CC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000834124790 605639526 /nfs/dbraw/zinc/63/95/26/605639526.db2.gz IYVDOAOMOCWNQT-WDEREUQCSA-N -1 0 361.420 -0.768 20 0 FBADRM O=C([O-])N[C@H](CC(F)F)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000834128364 606078309 /nfs/dbraw/zinc/07/83/09/606078309.db2.gz GJTLCWFUBBXPLY-SECBINFHSA-N -1 0 366.346 -0.233 20 0 FBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000834128367 606078232 /nfs/dbraw/zinc/07/82/32/606078232.db2.gz GJTLCWFUBBXPLY-VIFPVBQESA-N -1 0 366.346 -0.233 20 0 FBADRM O=C([O-])N[C@H](CC(F)F)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000834129205 606028762 /nfs/dbraw/zinc/02/87/62/606028762.db2.gz KEQWEVPNDKJCPM-MRVPVSSYSA-N -1 0 359.351 -0.944 20 0 FBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000834129206 606028536 /nfs/dbraw/zinc/02/85/36/606028536.db2.gz KEQWEVPNDKJCPM-QMMMGPOBSA-N -1 0 359.351 -0.944 20 0 FBADRM O=C([O-])N[C@H](CC(F)F)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000834134992 606014226 /nfs/dbraw/zinc/01/42/26/606014226.db2.gz VTARJFGXTXVWNJ-SECBINFHSA-N -1 0 362.333 -0.773 20 0 FBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000834134995 606014384 /nfs/dbraw/zinc/01/43/84/606014384.db2.gz VTARJFGXTXVWNJ-VIFPVBQESA-N -1 0 362.333 -0.773 20 0 FBADRM O=C([O-])N[C@H](CC(F)F)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000834135028 606001843 /nfs/dbraw/zinc/00/18/43/606001843.db2.gz VYSKWEUAIOMLHE-NXEZZACHSA-N -1 0 369.390 -0.391 20 0 FBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000834135029 606001878 /nfs/dbraw/zinc/00/18/78/606001878.db2.gz VYSKWEUAIOMLHE-UWVGGRQHSA-N -1 0 369.390 -0.391 20 0 FBADRM O=C([O-])N[C@H](CC(F)F)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000834135030 606002006 /nfs/dbraw/zinc/00/20/06/606002006.db2.gz VYSKWEUAIOMLHE-VHSXEESVSA-N -1 0 369.390 -0.391 20 0 FBADRM O=C([O-])N[C@@H](CC(F)F)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000834135032 606002144 /nfs/dbraw/zinc/00/21/44/606002144.db2.gz VYSKWEUAIOMLHE-ZJUUUORDSA-N -1 0 369.390 -0.391 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)N1CCC(C(=O)NCCCO)CC1)C1CC1 ZINC000834138230 605947070 /nfs/dbraw/zinc/94/70/70/605947070.db2.gz BXDIAHCJCMYVRV-CYBMUJFWSA-N -1 0 356.423 -0.047 20 0 FBADRM O=C([O-])N[C@@H](CNC(=O)N1CCC(C(=O)NCCCO)CC1)C1CC1 ZINC000834138231 605947233 /nfs/dbraw/zinc/94/72/33/605947233.db2.gz BXDIAHCJCMYVRV-ZDUSSCGKSA-N -1 0 356.423 -0.047 20 0 FBADRM O=C([O-])N[C@@H](CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)C1CC1 ZINC000834138606 605990912 /nfs/dbraw/zinc/99/09/12/605990912.db2.gz BGXQNGFOXGKCFL-CMPLNLGQSA-N -1 0 354.388 -0.121 20 0 FBADRM O=C([O-])N[C@@H](CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)C1CC1 ZINC000834138607 605990719 /nfs/dbraw/zinc/99/07/19/605990719.db2.gz BGXQNGFOXGKCFL-JQWIXIFHSA-N -1 0 354.388 -0.121 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)C1CC1 ZINC000834138608 605990900 /nfs/dbraw/zinc/99/09/00/605990900.db2.gz BGXQNGFOXGKCFL-PWSUYJOCSA-N -1 0 354.388 -0.121 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)C1CC1 ZINC000834138609 605990739 /nfs/dbraw/zinc/99/07/39/605990739.db2.gz BGXQNGFOXGKCFL-ZYHUDNBSSA-N -1 0 354.388 -0.121 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)CCNS(=O)(=O)c1cccnc1)C1CC1 ZINC000834140016 605913942 /nfs/dbraw/zinc/91/39/42/605913942.db2.gz KLOXBFFGEPWZQV-GFCCVEGCSA-N -1 0 356.404 -0.088 20 0 FBADRM O=C([O-])N[C@@H](CNC(=O)CCNS(=O)(=O)c1cccnc1)C1CC1 ZINC000834140018 605914168 /nfs/dbraw/zinc/91/41/68/605914168.db2.gz KLOXBFFGEPWZQV-LBPRGKRZSA-N -1 0 356.404 -0.088 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C1CC1 ZINC000834140438 605867864 /nfs/dbraw/zinc/86/78/64/605867864.db2.gz OICWJEHLOPOTOO-LLVKDONJSA-N -1 0 367.383 -0.007 20 0 FBADRM O=C([O-])N[C@@H](CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C1CC1 ZINC000834140440 605867860 /nfs/dbraw/zinc/86/78/60/605867860.db2.gz OICWJEHLOPOTOO-NSHDSACASA-N -1 0 367.383 -0.007 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)C1CCN(c2ccc3nnnn3n2)CC1)C1CC1 ZINC000834140753 605991206 /nfs/dbraw/zinc/99/12/06/605991206.db2.gz RQIOGEWSOHDSHX-GFCCVEGCSA-N -1 0 374.405 -0.102 20 0 FBADRM O=C([O-])N[C@@H](CNC(=O)C1CCN(c2ccc3nnnn3n2)CC1)C1CC1 ZINC000834140754 605991367 /nfs/dbraw/zinc/99/13/67/605991367.db2.gz RQIOGEWSOHDSHX-LBPRGKRZSA-N -1 0 374.405 -0.102 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)C(=O)Nc1cnn(-c2ncccn2)c1)C1CC1 ZINC000834141156 605888629 /nfs/dbraw/zinc/88/86/29/605888629.db2.gz CFMJWEPQTCYWLL-LLVKDONJSA-N -1 0 359.346 -0.237 20 0 FBADRM O=C([O-])N[C@@H](CNC(=O)C(=O)Nc1cnn(-c2ncccn2)c1)C1CC1 ZINC000834141158 605888799 /nfs/dbraw/zinc/88/87/99/605888799.db2.gz CFMJWEPQTCYWLL-NSHDSACASA-N -1 0 359.346 -0.237 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CC1 ZINC000834141368 605912709 /nfs/dbraw/zinc/91/27/09/605912709.db2.gz CJDMAYAYRYMQEG-GRYCIOLGSA-N -1 0 373.431 -0.816 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CC1 ZINC000834141369 605912819 /nfs/dbraw/zinc/91/28/19/605912819.db2.gz CJDMAYAYRYMQEG-IJLUTSLNSA-N -1 0 373.431 -0.816 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CC1 ZINC000834141370 605912722 /nfs/dbraw/zinc/91/27/22/605912722.db2.gz CJDMAYAYRYMQEG-QJPTWQEYSA-N -1 0 373.431 -0.816 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CC1 ZINC000834141371 605912519 /nfs/dbraw/zinc/91/25/19/605912519.db2.gz CJDMAYAYRYMQEG-SDDRHHMPSA-N -1 0 373.431 -0.816 20 0 FBADRM O=C([O-])N[C@@H](CNC(=O)N1CCN(CC(=O)N2CCCC2)CC1)C1CC1 ZINC000834141777 605850804 /nfs/dbraw/zinc/85/08/04/605850804.db2.gz CUCVQHASIUYPNT-AWEZNQCLSA-N -1 0 367.450 -0.018 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)N1CCN(CC(=O)N2CCCC2)CC1)C1CC1 ZINC000834141780 605851070 /nfs/dbraw/zinc/85/10/70/605851070.db2.gz CUCVQHASIUYPNT-CQSZACIVSA-N -1 0 367.450 -0.018 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)NCCNS(=O)(=O)c1cccnc1)C1CC1 ZINC000834143322 605844763 /nfs/dbraw/zinc/84/47/63/605844763.db2.gz FOYUAIGRKRQCHB-GFCCVEGCSA-N -1 0 371.419 -0.295 20 0 FBADRM O=C([O-])N[C@@H](CNC(=O)NCCNS(=O)(=O)c1cccnc1)C1CC1 ZINC000834143326 605844663 /nfs/dbraw/zinc/84/46/63/605844663.db2.gz FOYUAIGRKRQCHB-LBPRGKRZSA-N -1 0 371.419 -0.295 20 0 FBADRM O=C([O-])N[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1 ZINC000834143920 605914699 /nfs/dbraw/zinc/91/46/99/605914699.db2.gz NFPVKPZXXDTWAR-KBPBESRZSA-N -1 0 368.434 -0.671 20 0 FBADRM O=C([O-])N[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1 ZINC000834144031 605914731 /nfs/dbraw/zinc/91/47/31/605914731.db2.gz NFPVKPZXXDTWAR-KGLIPLIRSA-N -1 0 368.434 -0.671 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1 ZINC000834144034 605914850 /nfs/dbraw/zinc/91/48/50/605914850.db2.gz NFPVKPZXXDTWAR-UONOGXRCSA-N -1 0 368.434 -0.671 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1 ZINC000834144037 605914575 /nfs/dbraw/zinc/91/45/75/605914575.db2.gz NFPVKPZXXDTWAR-ZIAGYGMSSA-N -1 0 368.434 -0.671 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)C(=O)Nc1ccc(-n2cncn2)nc1)C1CC1 ZINC000834144215 605891125 /nfs/dbraw/zinc/89/11/25/605891125.db2.gz OKYQZCBIODORMN-LLVKDONJSA-N -1 0 359.346 -0.237 20 0 FBADRM O=C([O-])N[C@@H](CNC(=O)C(=O)Nc1ccc(-n2cncn2)nc1)C1CC1 ZINC000834144218 605891084 /nfs/dbraw/zinc/89/10/84/605891084.db2.gz OKYQZCBIODORMN-NSHDSACASA-N -1 0 359.346 -0.237 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)C1CC1 ZINC000834144468 605890028 /nfs/dbraw/zinc/89/00/28/605890028.db2.gz QEMPUSBEIDBAND-GFCCVEGCSA-N -1 0 359.346 -0.237 20 0 FBADRM O=C([O-])N[C@@H](CNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)C1CC1 ZINC000834144469 605889541 /nfs/dbraw/zinc/88/95/41/605889541.db2.gz QEMPUSBEIDBAND-LBPRGKRZSA-N -1 0 359.346 -0.237 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C1CC1 ZINC000834145265 605914696 /nfs/dbraw/zinc/91/46/96/605914696.db2.gz SVKRDPCLSVUNFB-LLVKDONJSA-N -1 0 354.388 -0.354 20 0 FBADRM O=C([O-])N[C@@H](CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C1CC1 ZINC000834145269 605914643 /nfs/dbraw/zinc/91/46/43/605914643.db2.gz SVKRDPCLSVUNFB-NSHDSACASA-N -1 0 354.388 -0.354 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C1CC1 ZINC000834145544 605847544 /nfs/dbraw/zinc/84/75/44/605847544.db2.gz OMZUDQPFEWBZSN-GFCCVEGCSA-N -1 0 367.406 -0.835 20 0 FBADRM O=C([O-])N[C@@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C1CC1 ZINC000834145545 605847189 /nfs/dbraw/zinc/84/71/89/605847189.db2.gz OMZUDQPFEWBZSN-LBPRGKRZSA-N -1 0 367.406 -0.835 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1CC1 ZINC000834145603 605991111 /nfs/dbraw/zinc/99/11/11/605991111.db2.gz UHKUAYNTFFENLF-LLVKDONJSA-N -1 0 354.388 -0.354 20 0 FBADRM O=C([O-])N[C@@H](CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1CC1 ZINC000834145607 605991500 /nfs/dbraw/zinc/99/15/00/605991500.db2.gz UHKUAYNTFFENLF-NSHDSACASA-N -1 0 354.388 -0.354 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1)C1CC1 ZINC000834146407 605892022 /nfs/dbraw/zinc/89/20/22/605892022.db2.gz XXRXVQQJIIFSES-LLVKDONJSA-N -1 0 359.346 -0.237 20 0 FBADRM O=C([O-])N[C@@H](CNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1)C1CC1 ZINC000834146408 605892128 /nfs/dbraw/zinc/89/21/28/605892128.db2.gz XXRXVQQJIIFSES-NSHDSACASA-N -1 0 359.346 -0.237 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)C(=O)Nc1cccnc1-n1cncn1)C1CC1 ZINC000834146886 605892212 /nfs/dbraw/zinc/89/22/12/605892212.db2.gz ZEYJPVWZZONGBG-LLVKDONJSA-N -1 0 359.346 -0.237 20 0 FBADRM O=C([O-])N[C@@H](CNC(=O)C(=O)Nc1cccnc1-n1cncn1)C1CC1 ZINC000834146888 605892111 /nfs/dbraw/zinc/89/21/11/605892111.db2.gz ZEYJPVWZZONGBG-NSHDSACASA-N -1 0 359.346 -0.237 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1)C1CC1 ZINC000834146930 605892367 /nfs/dbraw/zinc/89/23/67/605892367.db2.gz ZQDRSCJPKMRWCY-GFCCVEGCSA-N -1 0 359.346 -0.237 20 0 FBADRM O=C([O-])N[C@@H](CNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1)C1CC1 ZINC000834146932 605892434 /nfs/dbraw/zinc/89/24/34/605892434.db2.gz ZQDRSCJPKMRWCY-LBPRGKRZSA-N -1 0 359.346 -0.237 20 0 FBADRM O=C([O-])N[C@H](CNC(=O)N1CCN(CC(=O)NC2CC2)CC1)C1CC1 ZINC000834147006 605945603 /nfs/dbraw/zinc/94/56/03/605945603.db2.gz SRDFNIVCPCKKBO-CYBMUJFWSA-N -1 0 353.423 -0.362 20 0 FBADRM O=C([O-])N[C@@H](CNC(=O)N1CCN(CC(=O)NC2CC2)CC1)C1CC1 ZINC000834147008 605945350 /nfs/dbraw/zinc/94/53/50/605945350.db2.gz SRDFNIVCPCKKBO-ZDUSSCGKSA-N -1 0 353.423 -0.362 20 0 FBADRM O=C([O-])N[C@H](CNS(=O)(=O)c1ccc(-n2cnnn2)cc1)C1CC1 ZINC000834151304 605808536 /nfs/dbraw/zinc/80/85/36/605808536.db2.gz SKRDWAHSVYRGLJ-GFCCVEGCSA-N -1 0 352.376 -0.013 20 0 FBADRM O=C([O-])N[C@@H](CNS(=O)(=O)c1ccc(-n2cnnn2)cc1)C1CC1 ZINC000834151306 605808793 /nfs/dbraw/zinc/80/87/93/605808793.db2.gz SKRDWAHSVYRGLJ-LBPRGKRZSA-N -1 0 352.376 -0.013 20 0 FBADRM O=C([O-])N[C@H](CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CC1 ZINC000834152088 605807085 /nfs/dbraw/zinc/80/70/85/605807085.db2.gz YKTZQRRAVMDJAQ-LLVKDONJSA-N -1 0 368.371 -0.459 20 0 FBADRM O=C([O-])N[C@@H](CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CC1 ZINC000834152091 605806863 /nfs/dbraw/zinc/80/68/63/605806863.db2.gz YKTZQRRAVMDJAQ-NSHDSACASA-N -1 0 368.371 -0.459 20 0 FBADRM O=C([O-])N[C@H](CNS(=O)(=O)c1cccc(-n2cnnn2)c1)C1CC1 ZINC000834152104 605807165 /nfs/dbraw/zinc/80/71/65/605807165.db2.gz YNDBYKOMSTWSNP-GFCCVEGCSA-N -1 0 352.376 -0.013 20 0 FBADRM O=C([O-])N[C@@H](CNS(=O)(=O)c1cccc(-n2cnnn2)c1)C1CC1 ZINC000834152106 605806871 /nfs/dbraw/zinc/80/68/71/605806871.db2.gz YNDBYKOMSTWSNP-LBPRGKRZSA-N -1 0 352.376 -0.013 20 0 FBADRM O=C([O-])NC1(C(=O)NC[C@H](O)CN2CCOCC2)Cc2ccccc2C1 ZINC000834152158 605408462 /nfs/dbraw/zinc/40/84/62/605408462.db2.gz SOYVGXHIJHTGMK-HNNXBMFYSA-N -1 0 363.414 -0.399 20 0 FBADRM O=C([O-])NC1(C(=O)NC[C@@H](O)CN2CCOCC2)Cc2ccccc2C1 ZINC000834152159 605408438 /nfs/dbraw/zinc/40/84/38/605408438.db2.gz SOYVGXHIJHTGMK-OAHLLOKOSA-N -1 0 363.414 -0.399 20 0 FBADRM O=C([O-])NC1(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000834152367 605719301 /nfs/dbraw/zinc/71/93/01/605719301.db2.gz MTURCEZKTPUGTL-LLVKDONJSA-N -1 0 361.420 -0.560 20 0 FBADRM O=C([O-])NC1(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000834152368 605719110 /nfs/dbraw/zinc/71/91/10/605719110.db2.gz MTURCEZKTPUGTL-NSHDSACASA-N -1 0 361.420 -0.560 20 0 FBADRM O=C([O-])NC1(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)Cc2ccccc2C1 ZINC000834152785 605546839 /nfs/dbraw/zinc/54/68/39/605546839.db2.gz XJHPDLPGSCGDCF-GFCCVEGCSA-N -1 0 358.354 -0.446 20 0 FBADRM O=C([O-])NC1(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)Cc2ccccc2C1 ZINC000834152786 605546952 /nfs/dbraw/zinc/54/69/52/605546952.db2.gz XJHPDLPGSCGDCF-LBPRGKRZSA-N -1 0 358.354 -0.446 20 0 FBADRM O=C([O-])NC1(CNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CCC1 ZINC000834153649 605603675 /nfs/dbraw/zinc/60/36/75/605603675.db2.gz DRAXNCPPYGPENH-UHFFFAOYSA-N -1 0 359.346 -0.093 20 0 FBADRM O=C([O-])NC1(CNC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CCC1 ZINC000834153823 605601631 /nfs/dbraw/zinc/60/16/31/605601631.db2.gz FLFZGNUULHWUQB-UHFFFAOYSA-N -1 0 359.346 -0.093 20 0 FBADRM O=C([O-])NC1(CNC(=O)C(=O)Nc2ccc(-n3cncn3)nc2)CCC1 ZINC000834153907 605604063 /nfs/dbraw/zinc/60/40/63/605604063.db2.gz GGLPWFLCIPSCFO-UHFFFAOYSA-N -1 0 359.346 -0.093 20 0 FBADRM O=C([O-])NC1(CNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CCC1 ZINC000834154740 605602857 /nfs/dbraw/zinc/60/28/57/605602857.db2.gz QJOUTELSAXWKIH-UHFFFAOYSA-N -1 0 359.346 -0.093 20 0 FBADRM O=C([O-])NC1(CNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CCC1 ZINC000834154772 605602675 /nfs/dbraw/zinc/60/26/75/605602675.db2.gz QVESHMMBSRHWPI-UHFFFAOYSA-N -1 0 359.346 -0.093 20 0 FBADRM O=C([O-])NC1(CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCC1 ZINC000834155152 605409740 /nfs/dbraw/zinc/40/97/40/605409740.db2.gz IISUIFGCVQSIPU-UHFFFAOYSA-N -1 0 368.371 -0.315 20 0 FBADRM O=C([O-])NC1(CNC(=O)C(=O)Nc2cccnc2-n2cncn2)CCC1 ZINC000834155337 605602502 /nfs/dbraw/zinc/60/25/02/605602502.db2.gz WEBGZUCMMHDGNE-UHFFFAOYSA-N -1 0 359.346 -0.093 20 0 FBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000834157612 605993670 /nfs/dbraw/zinc/99/36/70/605993670.db2.gz HWEWWQDZNGPPSF-AWEZNQCLSA-N -1 0 367.450 -0.558 20 0 FBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000834157613 605993592 /nfs/dbraw/zinc/99/35/92/605993592.db2.gz HWEWWQDZNGPPSF-CQSZACIVSA-N -1 0 367.450 -0.558 20 0 FBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000834158212 605993680 /nfs/dbraw/zinc/99/36/80/605993680.db2.gz PEMQIZTWZWAQSS-CHWSQXEVSA-N -1 0 354.407 -0.617 20 0 FBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000834158216 605993455 /nfs/dbraw/zinc/99/34/55/605993455.db2.gz PEMQIZTWZWAQSS-OLZOCXBDSA-N -1 0 354.407 -0.617 20 0 FBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000834158218 605993401 /nfs/dbraw/zinc/99/34/01/605993401.db2.gz PEMQIZTWZWAQSS-QWHCGFSZSA-N -1 0 354.407 -0.617 20 0 FBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000834158219 605993380 /nfs/dbraw/zinc/99/33/80/605993380.db2.gz PEMQIZTWZWAQSS-STQMWFEESA-N -1 0 354.407 -0.617 20 0 FBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCC(C(=O)N3CCOCC3)CC2)C1 ZINC000834158378 605993371 /nfs/dbraw/zinc/99/33/71/605993371.db2.gz RPOVGTLAOCHROQ-CYBMUJFWSA-N -1 0 354.407 -0.617 20 0 FBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCC(C(=O)N3CCOCC3)CC2)C1 ZINC000834158380 605993341 /nfs/dbraw/zinc/99/33/41/605993341.db2.gz RPOVGTLAOCHROQ-ZDUSSCGKSA-N -1 0 354.407 -0.617 20 0 FBADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)NCCN1CCNC(=O)C1 ZINC000834160616 605879191 /nfs/dbraw/zinc/87/91/91/605879191.db2.gz POIAPSOLGSGLBL-DOOHLRMFSA-N -1 0 367.450 -0.068 20 0 FBADRM O=C([O-])N[C@@H]1CC(=O)N(CN2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000834161187 605996394 /nfs/dbraw/zinc/99/63/94/605996394.db2.gz YOINSNAGKFDZOF-LLVKDONJSA-N -1 0 360.378 -0.928 20 0 FBADRM O=C([O-])N[C@H]1CC(=O)N(CN2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000834161189 605996289 /nfs/dbraw/zinc/99/62/89/605996289.db2.gz YOINSNAGKFDZOF-NSHDSACASA-N -1 0 360.378 -0.928 20 0 FBADRM O=C([O-])NC1CCC(NC(=O)N(CCO)CCN2CCOCC2)CC1 ZINC000834165902 605938821 /nfs/dbraw/zinc/93/88/21/605938821.db2.gz YCLFYYDLWTURJP-UHFFFAOYSA-N -1 0 358.439 -0.099 20 0 FBADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000834170852 605626913 /nfs/dbraw/zinc/62/69/13/605626913.db2.gz BIJYPWVOBMRYAU-NEPJUHHUSA-N -1 0 356.404 -0.088 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000834170853 605626896 /nfs/dbraw/zinc/62/68/96/605626896.db2.gz BIJYPWVOBMRYAU-NWDGAFQWSA-N -1 0 356.404 -0.088 20 0 FBADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000834170854 605627004 /nfs/dbraw/zinc/62/70/04/605627004.db2.gz BIJYPWVOBMRYAU-RYUDHWBXSA-N -1 0 356.404 -0.088 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000834170855 605626888 /nfs/dbraw/zinc/62/68/88/605626888.db2.gz BIJYPWVOBMRYAU-VXGBXAGGSA-N -1 0 356.404 -0.088 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)Cn3ncn4nccc4c3=O)C[C@@H]21 ZINC000834173441 605476432 /nfs/dbraw/zinc/47/64/32/605476432.db2.gz DCDHHEPBXNUTIU-GRYCIOLGSA-N -1 0 360.374 -0.214 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)Cn3ncn4nccc4c3=O)C[C@H]21 ZINC000834173443 605476535 /nfs/dbraw/zinc/47/65/35/605476535.db2.gz DCDHHEPBXNUTIU-IJLUTSLNSA-N -1 0 360.374 -0.214 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@H]2CN(C(=O)Cn3ncn4nccc4c3=O)C[C@H]21 ZINC000834173445 605476579 /nfs/dbraw/zinc/47/65/79/605476579.db2.gz DCDHHEPBXNUTIU-QJPTWQEYSA-N -1 0 360.374 -0.214 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@H]2CN(C(=O)Cn3ncn4nccc4c3=O)C[C@@H]21 ZINC000834173447 605476055 /nfs/dbraw/zinc/47/60/55/605476055.db2.gz DCDHHEPBXNUTIU-SDDRHHMPSA-N -1 0 360.374 -0.214 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)NCC(=O)N3CCOCC3)C[C@@H]21 ZINC000834176520 605411104 /nfs/dbraw/zinc/41/11/04/605411104.db2.gz PPDLQWBFCMYCGC-FRRDWIJNSA-N -1 0 354.407 -0.077 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)NCC(=O)N3CCOCC3)C[C@H]21 ZINC000834176523 605410810 /nfs/dbraw/zinc/41/08/10/605410810.db2.gz PPDLQWBFCMYCGC-JHJVBQTASA-N -1 0 354.407 -0.077 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@H]2CN(C(=O)NCC(=O)N3CCOCC3)C[C@@H]21 ZINC000834176524 605410982 /nfs/dbraw/zinc/41/09/82/605410982.db2.gz PPDLQWBFCMYCGC-RWMBFGLXSA-N -1 0 354.407 -0.077 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@H]2CN(C(=O)NCC(=O)N3CCOCC3)C[C@H]21 ZINC000834176527 605411078 /nfs/dbraw/zinc/41/10/78/605411078.db2.gz PPDLQWBFCMYCGC-YNEHKIRRSA-N -1 0 354.407 -0.077 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@H]2CN(C(=O)NCCN3C(=O)CNC3=O)C[C@@H]21 ZINC000834177949 605389389 /nfs/dbraw/zinc/38/93/89/605389389.db2.gz IIKARGJGLKLZHE-GARJFASQSA-N -1 0 353.379 -0.384 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)NCCN3C(=O)CNC3=O)C[C@H]21 ZINC000834177952 605389085 /nfs/dbraw/zinc/38/90/85/605389085.db2.gz IIKARGJGLKLZHE-GMTAPVOTSA-N -1 0 353.379 -0.384 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@H]2CN(C(=O)NCCN3C(=O)CNC3=O)C[C@H]21 ZINC000834177954 605389575 /nfs/dbraw/zinc/38/95/75/605389575.db2.gz IIKARGJGLKLZHE-HBNTYKKESA-N -1 0 353.379 -0.384 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)NCCN3C(=O)CNC3=O)C[C@@H]21 ZINC000834177956 605389609 /nfs/dbraw/zinc/38/96/09/605389609.db2.gz IIKARGJGLKLZHE-OUAUKWLOSA-N -1 0 353.379 -0.384 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 ZINC000834178206 605464482 /nfs/dbraw/zinc/46/44/82/605464482.db2.gz WAJZIHGGKKYMSQ-FRRDWIJNSA-N -1 0 359.448 -0.389 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)CN3CCS(=O)(=O)CC3)C[C@H]21 ZINC000834178207 605464193 /nfs/dbraw/zinc/46/41/93/605464193.db2.gz WAJZIHGGKKYMSQ-JHJVBQTASA-N -1 0 359.448 -0.389 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@H]2CN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 ZINC000834178208 605464435 /nfs/dbraw/zinc/46/44/35/605464435.db2.gz WAJZIHGGKKYMSQ-RWMBFGLXSA-N -1 0 359.448 -0.389 20 0 FBADRM O=C([O-])N[C@@H]1CCC[C@H]2CN(C(=O)CN3CCS(=O)(=O)CC3)C[C@H]21 ZINC000834178209 605464318 /nfs/dbraw/zinc/46/43/18/605464318.db2.gz WAJZIHGGKKYMSQ-YNEHKIRRSA-N -1 0 359.448 -0.389 20 0 FBADRM O=C([O-])N[C@@H]1CCCN(C(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000834184653 605633519 /nfs/dbraw/zinc/63/35/19/605633519.db2.gz VMAQLQGODZZHNK-LLVKDONJSA-N -1 0 371.419 -0.199 20 0 FBADRM O=C([O-])N[C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000834184655 605633377 /nfs/dbraw/zinc/63/33/77/605633377.db2.gz VMAQLQGODZZHNK-NSHDSACASA-N -1 0 371.419 -0.199 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)C1 ZINC000834186242 606006588 /nfs/dbraw/zinc/00/65/88/606006588.db2.gz PIPJBJLGKYCCCG-GYSYKLTISA-N -1 0 361.420 -0.226 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)C1 ZINC000834186243 606006659 /nfs/dbraw/zinc/00/66/59/606006659.db2.gz PIPJBJLGKYCCCG-JTNHKYCSSA-N -1 0 361.420 -0.226 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)C1 ZINC000834186245 606006628 /nfs/dbraw/zinc/00/66/28/606006628.db2.gz PIPJBJLGKYCCCG-MISXGVKJSA-N -1 0 361.420 -0.226 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)C1 ZINC000834186247 606006573 /nfs/dbraw/zinc/00/65/73/606006573.db2.gz PIPJBJLGKYCCCG-WDMOLILDSA-N -1 0 361.420 -0.226 20 0 FBADRM O=C([O-])NC1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000834186249 605634530 /nfs/dbraw/zinc/63/45/30/605634530.db2.gz PJRUYWQCQVSXBG-UHFFFAOYSA-N -1 0 371.419 -0.199 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000834186670 605634635 /nfs/dbraw/zinc/63/46/35/605634635.db2.gz RWRSLEPBNMKKJQ-JTQLQIEISA-N -1 0 357.392 -0.589 20 0 FBADRM O=C([O-])N[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000834186688 605634625 /nfs/dbraw/zinc/63/46/25/605634625.db2.gz RWRSLEPBNMKKJQ-SNVBAGLBSA-N -1 0 357.392 -0.589 20 0 FBADRM O=C([O-])N[C@H]1CCc2ncc(NC(=O)C(=O)N3CCNC(=O)C3)cc2C1 ZINC000834188050 606106407 /nfs/dbraw/zinc/10/64/07/606106407.db2.gz BKENQRKSBCODHS-JTQLQIEISA-N -1 0 361.358 -0.897 20 0 FBADRM O=C([O-])N[C@@H]1CCc2ncc(NC(=O)C(=O)N3CCNC(=O)C3)cc2C1 ZINC000834188051 606106547 /nfs/dbraw/zinc/10/65/47/606106547.db2.gz BKENQRKSBCODHS-SNVBAGLBSA-N -1 0 361.358 -0.897 20 0 FBADRM O=C([O-])N[C@@H]1CCc2ncc(NC(=O)C(=O)NCCOCCO)cc2C1 ZINC000834188214 606107720 /nfs/dbraw/zinc/10/77/20/606107720.db2.gz CVCMAVBBIDQXQP-LLVKDONJSA-N -1 0 366.374 -0.730 20 0 FBADRM O=C([O-])N[C@H]1CCc2ncc(NC(=O)C(=O)NCCOCCO)cc2C1 ZINC000834188215 606107762 /nfs/dbraw/zinc/10/77/62/606107762.db2.gz CVCMAVBBIDQXQP-NSHDSACASA-N -1 0 366.374 -0.730 20 0 FBADRM O=C([O-])N[C@@H]1CCc2ncc(NC(=O)C(=O)NCCN3CCC3)cc2C1 ZINC000834188265 606108766 /nfs/dbraw/zinc/10/87/66/606108766.db2.gz FHUGDVHUFQGYER-GFCCVEGCSA-N -1 0 361.402 -0.033 20 0 FBADRM O=C([O-])N[C@H]1CCc2ncc(NC(=O)C(=O)NCCN3CCC3)cc2C1 ZINC000834188266 606108954 /nfs/dbraw/zinc/10/89/54/606108954.db2.gz FHUGDVHUFQGYER-LBPRGKRZSA-N -1 0 361.402 -0.033 20 0 FBADRM O=C([O-])N[C@@H]1CCc2ncc(NC(=O)C(=O)N3CC[C@H](CO)C3)cc2C1 ZINC000834188286 606108814 /nfs/dbraw/zinc/10/88/14/606108814.db2.gz FVYOBTSFKPYCDA-CMPLNLGQSA-N -1 0 362.386 -0.014 20 0 FBADRM O=C([O-])N[C@H]1CCc2ncc(NC(=O)C(=O)N3CC[C@H](CO)C3)cc2C1 ZINC000834188287 606108790 /nfs/dbraw/zinc/10/87/90/606108790.db2.gz FVYOBTSFKPYCDA-JQWIXIFHSA-N -1 0 362.386 -0.014 20 0 FBADRM O=C([O-])N[C@H]1CCc2ncc(NC(=O)C(=O)N3CC[C@@H](CO)C3)cc2C1 ZINC000834188380 606109004 /nfs/dbraw/zinc/10/90/04/606109004.db2.gz FVYOBTSFKPYCDA-PWSUYJOCSA-N -1 0 362.386 -0.014 20 0 FBADRM O=C([O-])N[C@@H]1CCc2ncc(NC(=O)C(=O)N3CC[C@@H](CO)C3)cc2C1 ZINC000834188382 606108854 /nfs/dbraw/zinc/10/88/54/606108854.db2.gz FVYOBTSFKPYCDA-ZYHUDNBSSA-N -1 0 362.386 -0.014 20 0 FBADRM O=C([O-])N[C@@H]1CCc2ncc(NC(=O)C(=O)NCCn3cncn3)cc2C1 ZINC000834189090 606108063 /nfs/dbraw/zinc/10/80/63/606108063.db2.gz NTHMHHHQYMCHTA-LLVKDONJSA-N -1 0 373.373 -0.447 20 0 FBADRM O=C([O-])N[C@H]1CCc2ncc(NC(=O)C(=O)NCCn3cncn3)cc2C1 ZINC000834189091 606108073 /nfs/dbraw/zinc/10/80/73/606108073.db2.gz NTHMHHHQYMCHTA-NSHDSACASA-N -1 0 373.373 -0.447 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000834192045 605337988 /nfs/dbraw/zinc/33/79/88/605337988.db2.gz AHCQJEZMFFVBSX-UHFFFAOYSA-N -1 0 360.374 -0.181 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000834192177 605399447 /nfs/dbraw/zinc/39/94/47/605399447.db2.gz CWZGJKPPGFDYST-GFCCVEGCSA-N -1 0 370.406 -1.000 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000834192179 605399444 /nfs/dbraw/zinc/39/94/44/605399444.db2.gz CWZGJKPPGFDYST-LBPRGKRZSA-N -1 0 370.406 -1.000 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000834192403 605346866 /nfs/dbraw/zinc/34/68/66/605346866.db2.gz GDTREHJBGGTOHR-UHFFFAOYSA-N -1 0 354.407 -0.379 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000834192488 605364738 /nfs/dbraw/zinc/36/47/38/605364738.db2.gz HXNGZUPYNQFVCE-UHFFFAOYSA-N -1 0 362.386 -0.209 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000834192638 605344542 /nfs/dbraw/zinc/34/45/42/605344542.db2.gz ABFVDMHCMWUZRV-UHFFFAOYSA-N -1 0 354.407 -0.379 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000834192650 605340131 /nfs/dbraw/zinc/34/01/31/605340131.db2.gz AHLAOOCWPAFFCZ-UHFFFAOYSA-N -1 0 368.415 -0.194 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000834192798 605341987 /nfs/dbraw/zinc/34/19/87/605341987.db2.gz BIIINESJLYQUGQ-UHFFFAOYSA-N -1 0 362.386 -0.255 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000834192883 605350977 /nfs/dbraw/zinc/35/09/77/605350977.db2.gz LKCFNXAQCROENK-CYBMUJFWSA-N -1 0 357.407 -0.053 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000834192886 605350829 /nfs/dbraw/zinc/35/08/29/605350829.db2.gz LKCFNXAQCROENK-ZDUSSCGKSA-N -1 0 357.407 -0.053 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000834192900 605344972 /nfs/dbraw/zinc/34/49/72/605344972.db2.gz LOSNLZUETQTOFR-UHFFFAOYSA-N -1 0 368.312 -0.713 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC(c2nnc3n2CCC3)CC1 ZINC000834192913 605342822 /nfs/dbraw/zinc/34/28/22/605342822.db2.gz LVBRBPFWQYSNGR-UHFFFAOYSA-N -1 0 350.379 -0.686 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(Cc2cccc(O)c2)CC1 ZINC000834192959 605388547 /nfs/dbraw/zinc/38/85/47/605388547.db2.gz CKGCSWXZYPATPH-UHFFFAOYSA-N -1 0 350.375 -0.580 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000834192988 605342450 /nfs/dbraw/zinc/34/24/50/605342450.db2.gz MNZSUXOYJCMIPA-CYBMUJFWSA-N -1 0 350.375 -0.027 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000834192992 605343022 /nfs/dbraw/zinc/34/30/22/605343022.db2.gz MNZSUXOYJCMIPA-ZDUSSCGKSA-N -1 0 350.375 -0.027 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000834193156 605338192 /nfs/dbraw/zinc/33/81/92/605338192.db2.gz CWWDGXQYJSHCSD-UHFFFAOYSA-N -1 0 364.402 -0.407 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000834193168 605366294 /nfs/dbraw/zinc/36/62/94/605366294.db2.gz DBYSHHNOIOGEIF-UHFFFAOYSA-N -1 0 366.349 -0.506 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(C(=O)c2ccsc2)CC1 ZINC000834193174 605337944 /nfs/dbraw/zinc/33/79/44/605337944.db2.gz DHAWZWAAOMXWSP-UHFFFAOYSA-N -1 0 354.388 -0.584 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000834193175 605344608 /nfs/dbraw/zinc/34/46/08/605344608.db2.gz MYXNIOYRPWXWSK-UHFFFAOYSA-N -1 0 368.415 -0.147 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000834193179 605374168 /nfs/dbraw/zinc/37/41/68/605374168.db2.gz DJDGHVVMCHZDFR-GHMZBOCLSA-N -1 0 371.415 -0.217 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000834193181 605373826 /nfs/dbraw/zinc/37/38/26/605373826.db2.gz DJDGHVVMCHZDFR-MNOVXSKESA-N -1 0 371.415 -0.217 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000834193183 605374022 /nfs/dbraw/zinc/37/40/22/605374022.db2.gz DJDGHVVMCHZDFR-QWRGUYRKSA-N -1 0 371.415 -0.217 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000834193184 605373645 /nfs/dbraw/zinc/37/36/45/605373645.db2.gz DJDGHVVMCHZDFR-WDEREUQCSA-N -1 0 371.415 -0.217 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000834193202 605391619 /nfs/dbraw/zinc/39/16/19/605391619.db2.gz DLFOTMTYUSGVTQ-JTQLQIEISA-N -1 0 353.331 -0.536 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC[C@H]1CC(=O)c1ccco1 ZINC000834193203 605391489 /nfs/dbraw/zinc/39/14/89/605391489.db2.gz DLFOTMTYUSGVTQ-SNVBAGLBSA-N -1 0 353.331 -0.536 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000834193215 605345158 /nfs/dbraw/zinc/34/51/58/605345158.db2.gz DOVSURBONZJNLG-UHFFFAOYSA-N -1 0 355.395 -0.880 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000834193253 605666141 /nfs/dbraw/zinc/66/61/41/605666141.db2.gz NLXHALHIOLWKED-BXKDBHETSA-N -1 0 357.313 -0.017 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000834193255 605665861 /nfs/dbraw/zinc/66/58/61/605665861.db2.gz NLXHALHIOLWKED-CABZTGNLSA-N -1 0 357.313 -0.017 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000834193259 605665969 /nfs/dbraw/zinc/66/59/69/605665969.db2.gz NLXHALHIOLWKED-JOYOIKCWSA-N -1 0 357.313 -0.017 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000834193262 605666193 /nfs/dbraw/zinc/66/61/93/605666193.db2.gz NLXHALHIOLWKED-SKDRFNHKSA-N -1 0 357.313 -0.017 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC(c2nncn2C2CC2)CC1 ZINC000834193287 605380829 /nfs/dbraw/zinc/38/08/29/605380829.db2.gz NSBGKWRHFOZMBL-UHFFFAOYSA-N -1 0 350.379 -0.297 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000834193302 605369830 /nfs/dbraw/zinc/36/98/30/605369830.db2.gz NTSGKVOUIRFZOZ-UHFFFAOYSA-N -1 0 370.391 -0.901 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000834193552 605374282 /nfs/dbraw/zinc/37/42/82/605374282.db2.gz GRKPDAKPJKUFGG-GHMZBOCLSA-N -1 0 355.347 -0.686 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000834193554 605373992 /nfs/dbraw/zinc/37/39/92/605373992.db2.gz GRKPDAKPJKUFGG-MNOVXSKESA-N -1 0 355.347 -0.686 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000834193556 605373600 /nfs/dbraw/zinc/37/36/00/605373600.db2.gz GRKPDAKPJKUFGG-QWRGUYRKSA-N -1 0 355.347 -0.686 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000834193557 605374062 /nfs/dbraw/zinc/37/40/62/605374062.db2.gz GRKPDAKPJKUFGG-WDEREUQCSA-N -1 0 355.347 -0.686 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000834193599 605388339 /nfs/dbraw/zinc/38/83/39/605388339.db2.gz HWNHZRVCRCMZRK-UHFFFAOYSA-N -1 0 364.358 -0.940 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000834193778 605373797 /nfs/dbraw/zinc/37/37/97/605373797.db2.gz JEXNQFGRMMBMIE-UHFFFAOYSA-N -1 0 352.366 -0.146 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000834194037 605349070 /nfs/dbraw/zinc/34/90/70/605349070.db2.gz JNTIEYBRIIUZIL-UHFFFAOYSA-N -1 0 361.358 -0.140 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000834194085 605373613 /nfs/dbraw/zinc/37/36/13/605373613.db2.gz KDIKKUSIFLBOKA-UHFFFAOYSA-N -1 0 361.420 -0.670 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000834194092 605366303 /nfs/dbraw/zinc/36/63/03/605366303.db2.gz KHQCBDHSCSMVQX-MRVPVSSYSA-N -1 0 355.376 -0.544 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000834194093 605366310 /nfs/dbraw/zinc/36/63/10/605366310.db2.gz KHQCBDHSCSMVQX-QMMMGPOBSA-N -1 0 355.376 -0.544 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000834194124 605370432 /nfs/dbraw/zinc/37/04/32/605370432.db2.gz KWLGMOFHTBMKQF-LLVKDONJSA-N -1 0 363.374 -0.358 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000834194126 605370339 /nfs/dbraw/zinc/37/03/39/605370339.db2.gz KWLGMOFHTBMKQF-NSHDSACASA-N -1 0 363.374 -0.358 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000834194137 605380698 /nfs/dbraw/zinc/38/06/98/605380698.db2.gz LCXZQGIGQQYADQ-JTQLQIEISA-N -1 0 350.379 -0.297 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000834194141 605380887 /nfs/dbraw/zinc/38/08/87/605380887.db2.gz LCXZQGIGQQYADQ-SNVBAGLBSA-N -1 0 350.379 -0.297 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(CCc2cccs2)CC1 ZINC000834194187 605343031 /nfs/dbraw/zinc/34/30/31/605343031.db2.gz LKTRAAJUNWWGGH-UHFFFAOYSA-N -1 0 354.432 -0.181 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000834194373 605661490 /nfs/dbraw/zinc/66/14/90/605661490.db2.gz XBRABYMKPYSJRE-BXKDBHETSA-N -1 0 357.313 -0.017 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000834194376 605661254 /nfs/dbraw/zinc/66/12/54/605661254.db2.gz XBRABYMKPYSJRE-CABZTGNLSA-N -1 0 357.313 -0.017 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000834194379 605661654 /nfs/dbraw/zinc/66/16/54/605661654.db2.gz XBRABYMKPYSJRE-JOYOIKCWSA-N -1 0 357.313 -0.017 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000834194381 605661366 /nfs/dbraw/zinc/66/13/66/605661366.db2.gz XBRABYMKPYSJRE-SKDRFNHKSA-N -1 0 357.313 -0.017 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC(CN2CCCCC2=O)CC1 ZINC000834194468 605386015 /nfs/dbraw/zinc/38/60/15/605386015.db2.gz YENJMURDTCULLD-UHFFFAOYSA-N -1 0 354.407 -0.379 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000834194569 605345176 /nfs/dbraw/zinc/34/51/76/605345176.db2.gz YVGFGESWDHFKBA-UHFFFAOYSA-N -1 0 354.407 -0.379 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000834194659 605388418 /nfs/dbraw/zinc/38/84/18/605388418.db2.gz NGIOGTOGMVSPFK-UHFFFAOYSA-N -1 0 364.358 -0.940 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000834194712 605380374 /nfs/dbraw/zinc/38/03/74/605380374.db2.gz NWBIVVHFWIVYSE-AWEZNQCLSA-N -1 0 364.402 -0.752 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000834194714 605380504 /nfs/dbraw/zinc/38/05/04/605380504.db2.gz NWBIVVHFWIVYSE-CQSZACIVSA-N -1 0 364.402 -0.752 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(c2cccc(F)c2F)CC1 ZINC000834194720 605348693 /nfs/dbraw/zinc/34/86/93/605348693.db2.gz NZKSSRGHTYYNRL-UHFFFAOYSA-N -1 0 356.329 -0.003 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000834194763 605338145 /nfs/dbraw/zinc/33/81/45/605338145.db2.gz ORHWMRMZJBUYDQ-UHFFFAOYSA-N -1 0 374.401 -0.638 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000834194773 605368254 /nfs/dbraw/zinc/36/82/54/605368254.db2.gz OSXPRYRVXHWEJQ-JTQLQIEISA-N -1 0 350.379 -0.686 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000834194776 605368211 /nfs/dbraw/zinc/36/82/11/605368211.db2.gz OSXPRYRVXHWEJQ-SNVBAGLBSA-N -1 0 350.379 -0.686 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000834194793 605374763 /nfs/dbraw/zinc/37/47/63/605374763.db2.gz OVJBXVPDQGMIGW-KBPBESRZSA-N -1 0 365.386 -0.279 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000834194798 605374742 /nfs/dbraw/zinc/37/47/42/605374742.db2.gz OVJBXVPDQGMIGW-KGLIPLIRSA-N -1 0 365.386 -0.279 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000834194801 605375081 /nfs/dbraw/zinc/37/50/81/605375081.db2.gz OVJBXVPDQGMIGW-UONOGXRCSA-N -1 0 365.386 -0.279 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000834194804 605374794 /nfs/dbraw/zinc/37/47/94/605374794.db2.gz OVJBXVPDQGMIGW-ZIAGYGMSSA-N -1 0 365.386 -0.279 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000834194807 605337851 /nfs/dbraw/zinc/33/78/51/605337851.db2.gz OWGRTDQNYPXSJV-UHFFFAOYSA-N -1 0 362.386 -0.716 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000834195166 605724293 /nfs/dbraw/zinc/72/42/93/605724293.db2.gz AEVFBMHTISZZQY-JTQLQIEISA-N -1 0 374.191 -0.018 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000834195168 605724333 /nfs/dbraw/zinc/72/43/33/605724333.db2.gz AEVFBMHTISZZQY-SNVBAGLBSA-N -1 0 374.191 -0.018 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000834195179 605337507 /nfs/dbraw/zinc/33/75/07/605337507.db2.gz RVXSWFRRJJTRNS-LLVKDONJSA-N -1 0 360.374 -0.181 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000834195181 605337537 /nfs/dbraw/zinc/33/75/37/605337537.db2.gz RVXSWFRRJJTRNS-NSHDSACASA-N -1 0 360.374 -0.181 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000834195187 605364418 /nfs/dbraw/zinc/36/44/18/605364418.db2.gz RYRNPBPVYIETBQ-UHFFFAOYSA-N -1 0 369.422 -0.443 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(c2cc(F)ccc2F)CC1 ZINC000834195192 605350713 /nfs/dbraw/zinc/35/07/13/605350713.db2.gz SAWLBPZIYCIOCK-UHFFFAOYSA-N -1 0 356.329 -0.003 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000834195201 605371677 /nfs/dbraw/zinc/37/16/77/605371677.db2.gz SBUSAFSNJQWBNE-UHFFFAOYSA-N -1 0 366.349 -0.620 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000834195222 605344864 /nfs/dbraw/zinc/34/48/64/605344864.db2.gz BGPSFCQNZFYXSQ-UHFFFAOYSA-N -1 0 362.386 -0.209 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NC1CCN(C(=O)c2ccncc2)CC1 ZINC000834195263 605377042 /nfs/dbraw/zinc/37/70/42/605377042.db2.gz BSCUDUYMCZBUNQ-UHFFFAOYSA-N -1 0 363.374 -0.814 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000834195358 605388122 /nfs/dbraw/zinc/38/81/22/605388122.db2.gz SIXMJCPIMQANOB-UHFFFAOYSA-N -1 0 364.358 -0.940 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000834195379 605349008 /nfs/dbraw/zinc/34/90/08/605349008.db2.gz SMFOMOHWFZVXGF-UHFFFAOYSA-N -1 0 369.809 -0.237 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000834195429 605348918 /nfs/dbraw/zinc/34/89/18/605348918.db2.gz TVGDCQWARLKQCB-UHFFFAOYSA-N -1 0 358.292 -0.585 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000834195534 605364583 /nfs/dbraw/zinc/36/45/83/605364583.db2.gz COFXCXSKWPIBQK-JTQLQIEISA-N -1 0 355.372 -0.595 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000834195539 605364268 /nfs/dbraw/zinc/36/42/68/605364268.db2.gz COFXCXSKWPIBQK-SNVBAGLBSA-N -1 0 355.372 -0.595 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCCCC(=O)N1CCc2ccccc21 ZINC000834195546 605369843 /nfs/dbraw/zinc/36/98/43/605369843.db2.gz BIZXPFNPRVUPQA-UHFFFAOYSA-N -1 0 362.386 -0.144 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000834195568 605392607 /nfs/dbraw/zinc/39/26/07/605392607.db2.gz VJEBSACUVURXCE-UHFFFAOYSA-N -1 0 374.401 -0.409 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000834195582 605368044 /nfs/dbraw/zinc/36/80/44/605368044.db2.gz CUVLCNVZIMTZOV-JTQLQIEISA-N -1 0 368.777 -0.055 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000834195587 605344855 /nfs/dbraw/zinc/34/48/55/605344855.db2.gz VUUCKHJGFRNOLP-UHFFFAOYSA-N -1 0 355.782 -0.233 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000834195599 605368089 /nfs/dbraw/zinc/36/80/89/605368089.db2.gz CUVLCNVZIMTZOV-SNVBAGLBSA-N -1 0 368.777 -0.055 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000834195603 605348882 /nfs/dbraw/zinc/34/88/82/605348882.db2.gz CWSNOUCCRPAAFC-UHFFFAOYSA-N -1 0 372.385 -0.405 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000834195614 605748254 /nfs/dbraw/zinc/74/82/54/605748254.db2.gz CXJXEUQMQJNXQP-MRVPVSSYSA-N -1 0 370.312 -0.430 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000834195619 605748271 /nfs/dbraw/zinc/74/82/71/605748271.db2.gz CXJXEUQMQJNXQP-QMMMGPOBSA-N -1 0 370.312 -0.430 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000834195641 605726613 /nfs/dbraw/zinc/72/66/13/605726613.db2.gz DHYOLEWNHRGZBD-JTQLQIEISA-N -1 0 374.191 -0.018 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000834195643 605726609 /nfs/dbraw/zinc/72/66/09/605726609.db2.gz DHYOLEWNHRGZBD-SNVBAGLBSA-N -1 0 374.191 -0.018 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000834195682 605375130 /nfs/dbraw/zinc/37/51/30/605375130.db2.gz DSWUXVAXCMUSPU-LLVKDONJSA-N -1 0 368.777 -0.055 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000834195684 605374607 /nfs/dbraw/zinc/37/46/07/605374607.db2.gz DSWUXVAXCMUSPU-NSHDSACASA-N -1 0 368.777 -0.055 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000834195686 605337682 /nfs/dbraw/zinc/33/76/82/605337682.db2.gz DVFDQRAUKBSUED-AWEZNQCLSA-N -1 0 364.402 -0.440 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000834195687 605337767 /nfs/dbraw/zinc/33/77/67/605337767.db2.gz DVFDQRAUKBSUED-CQSZACIVSA-N -1 0 364.402 -0.440 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000834195697 605386216 /nfs/dbraw/zinc/38/62/16/605386216.db2.gz DWYYFDFPCYZQTH-CYBMUJFWSA-N -1 0 363.292 -0.064 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000834195698 605386040 /nfs/dbraw/zinc/38/60/40/605386040.db2.gz DWYYFDFPCYZQTH-ZDUSSCGKSA-N -1 0 363.292 -0.064 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000834195735 605371656 /nfs/dbraw/zinc/37/16/56/605371656.db2.gz FCMJADCJNIZJQM-LLVKDONJSA-N -1 0 368.777 -0.055 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000834195737 605372268 /nfs/dbraw/zinc/37/22/68/605372268.db2.gz FCMJADCJNIZJQM-NSHDSACASA-N -1 0 368.777 -0.055 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCCN(Cc2cscn2)CC1 ZINC000834195857 605339943 /nfs/dbraw/zinc/33/99/43/605339943.db2.gz WQHUIWBQHKQTIE-UHFFFAOYSA-N -1 0 355.420 -0.439 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000834195861 605344887 /nfs/dbraw/zinc/34/48/87/605344887.db2.gz WWWMPOQUUQDQCD-LLVKDONJSA-N -1 0 352.347 -0.729 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCc1ccco1 ZINC000834195862 605344586 /nfs/dbraw/zinc/34/45/86/605344586.db2.gz WWWMPOQUUQDQCD-NSHDSACASA-N -1 0 352.347 -0.729 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000834195890 605388567 /nfs/dbraw/zinc/38/85/67/605388567.db2.gz XKUKUFLIFMEZPZ-CYBMUJFWSA-N -1 0 363.370 -0.129 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000834195893 605388780 /nfs/dbraw/zinc/38/87/80/605388780.db2.gz XKUKUFLIFMEZPZ-ZDUSSCGKSA-N -1 0 363.370 -0.129 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000834195903 605343307 /nfs/dbraw/zinc/34/33/07/605343307.db2.gz XQAYECGASVXSMI-UHFFFAOYSA-N -1 0 374.348 -0.694 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000834196002 605364777 /nfs/dbraw/zinc/36/47/77/605364777.db2.gz YWOZWNCZNRIPAD-UHFFFAOYSA-N -1 0 366.349 -0.506 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000834196023 605388079 /nfs/dbraw/zinc/38/80/79/605388079.db2.gz ZCBISRSCWKNQIT-JTQLQIEISA-N -1 0 369.399 -0.068 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCOC[C@H]1CC(=O)c1cccs1 ZINC000834196025 605388203 /nfs/dbraw/zinc/38/82/03/605388203.db2.gz ZCBISRSCWKNQIT-SNVBAGLBSA-N -1 0 369.399 -0.068 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000834196033 605395205 /nfs/dbraw/zinc/39/52/05/605395205.db2.gz ZJFASGOXWYJVRE-JTQLQIEISA-N -1 0 350.379 -0.228 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000834196036 605372014 /nfs/dbraw/zinc/37/20/14/605372014.db2.gz HVDKRPPIKZOVLG-UHFFFAOYSA-N -1 0 372.381 -0.103 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000834196038 605395047 /nfs/dbraw/zinc/39/50/47/605395047.db2.gz ZJFASGOXWYJVRE-SNVBAGLBSA-N -1 0 350.379 -0.228 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCCCN1C(=O)COc2ccccc21 ZINC000834196084 605371780 /nfs/dbraw/zinc/37/17/80/605371780.db2.gz ITJJCOGTCMZCIH-UHFFFAOYSA-N -1 0 364.358 -0.698 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000834196106 605364314 /nfs/dbraw/zinc/36/43/14/605364314.db2.gz JFFIPBCQDXEOOC-UHFFFAOYSA-N -1 0 362.386 -0.077 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1 ZINC000834196146 605366217 /nfs/dbraw/zinc/36/62/17/605366217.db2.gz GSKXLFKNLFONAI-LLVKDONJSA-N -1 0 366.399 -0.090 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CSC[C@H]1C(=O)Nc1ccccc1 ZINC000834196147 605366704 /nfs/dbraw/zinc/36/67/04/605366704.db2.gz GSKXLFKNLFONAI-NSHDSACASA-N -1 0 366.399 -0.090 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000834196173 605335969 /nfs/dbraw/zinc/33/59/69/605335969.db2.gz HUFMRRVKOAUMSI-LLVKDONJSA-N -1 0 370.431 -0.379 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000834196174 605335807 /nfs/dbraw/zinc/33/58/07/605335807.db2.gz HUFMRRVKOAUMSI-NSHDSACASA-N -1 0 370.431 -0.379 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCCCC(=O)N1Cc2ccccc2C1 ZINC000834196367 605370141 /nfs/dbraw/zinc/37/01/41/605370141.db2.gz NNHGJSYEJORQGF-UHFFFAOYSA-N -1 0 362.386 -0.191 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000834196471 605350602 /nfs/dbraw/zinc/35/06/02/605350602.db2.gz JJODEISFUASRDD-SECBINFHSA-N -1 0 355.782 -0.186 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000834196472 605350652 /nfs/dbraw/zinc/35/06/52/605350652.db2.gz JJODEISFUASRDD-VIFPVBQESA-N -1 0 355.782 -0.186 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000834196543 605335497 /nfs/dbraw/zinc/33/54/97/605335497.db2.gz KFTGWGVZXRCTIO-UHFFFAOYSA-N -1 0 352.347 -0.616 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000834196553 605339028 /nfs/dbraw/zinc/33/90/28/605339028.db2.gz KPWRBQSHUCFFMZ-CYBMUJFWSA-N -1 0 362.386 -0.150 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000834196557 605338562 /nfs/dbraw/zinc/33/85/62/605338562.db2.gz KPWRBQSHUCFFMZ-ZDUSSCGKSA-N -1 0 362.386 -0.150 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC000834196619 605374475 /nfs/dbraw/zinc/37/44/75/605374475.db2.gz OLMCZSTYPBUECD-UHFFFAOYSA-N -1 0 355.372 -0.984 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCCNC(=O)c1ccccc1Cl ZINC000834196641 605368934 /nfs/dbraw/zinc/36/89/34/605368934.db2.gz OXLGKBMBQAQGQT-UHFFFAOYSA-N -1 0 356.766 -0.430 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCCc1csc(N2CCCC2)n1 ZINC000834196648 605348755 /nfs/dbraw/zinc/34/87/55/605348755.db2.gz PFDNRILGRIXQKW-UHFFFAOYSA-N -1 0 355.420 -0.214 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCCNC(=O)c1ccc(Cl)cc1 ZINC000834196667 605364510 /nfs/dbraw/zinc/36/45/10/605364510.db2.gz PTOGXCFPHQCFDL-UHFFFAOYSA-N -1 0 356.766 -0.430 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCCNc1ncnc2sccc21 ZINC000834196687 605370424 /nfs/dbraw/zinc/37/04/24/605370424.db2.gz QHHSPEVAWNVHAL-UHFFFAOYSA-N -1 0 352.376 -0.397 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCc1ccc(N2CCOC2=O)cc1 ZINC000834196693 606021389 /nfs/dbraw/zinc/02/13/89/606021389.db2.gz QMLJKEIEBHLJFE-UHFFFAOYSA-N -1 0 350.331 -0.357 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 ZINC000834196709 605385992 /nfs/dbraw/zinc/38/59/92/605385992.db2.gz RDEKAXFLWALTIE-UHFFFAOYSA-N -1 0 368.312 -0.713 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000834196740 605374683 /nfs/dbraw/zinc/37/46/83/605374683.db2.gz MNNXDXDRNYIHCK-JTQLQIEISA-N -1 0 370.312 -0.430 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000834196741 605374572 /nfs/dbraw/zinc/37/45/72/605374572.db2.gz MNNXDXDRNYIHCK-SNVBAGLBSA-N -1 0 370.312 -0.430 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000834196790 605339166 /nfs/dbraw/zinc/33/91/66/605339166.db2.gz NOYDYTJIPDQOCJ-AWEZNQCLSA-N -1 0 364.402 -0.440 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000834196791 605339183 /nfs/dbraw/zinc/33/91/83/605339183.db2.gz NOYDYTJIPDQOCJ-CQSZACIVSA-N -1 0 364.402 -0.440 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCCCc1ccc2c(c1)OCCO2 ZINC000834196926 605374957 /nfs/dbraw/zinc/37/49/57/605374957.db2.gz RRAYWNCIZOZXOP-UHFFFAOYSA-N -1 0 351.359 -0.110 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000834196938 605339203 /nfs/dbraw/zinc/33/92/03/605339203.db2.gz SACKIZXPSMNQDO-AWEZNQCLSA-N -1 0 364.402 -0.613 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000834196939 605338595 /nfs/dbraw/zinc/33/85/95/605338595.db2.gz SACKIZXPSMNQDO-CQSZACIVSA-N -1 0 364.402 -0.613 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000834196944 605335960 /nfs/dbraw/zinc/33/59/60/605335960.db2.gz SHXVUVATGMOKHX-UHFFFAOYSA-N -1 0 363.418 -0.691 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCCCc1nnc2n1CCCCC2 ZINC000834196960 605341188 /nfs/dbraw/zinc/34/11/88/605341188.db2.gz SWSXGQPHSLUPAK-UHFFFAOYSA-N -1 0 352.395 -0.563 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000834196987 605340944 /nfs/dbraw/zinc/34/09/44/605340944.db2.gz VIMHECQRCNBBLJ-UHFFFAOYSA-N -1 0 362.386 -0.191 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000834197001 605376924 /nfs/dbraw/zinc/37/69/24/605376924.db2.gz OGMIHGXFQNYTRT-CYBMUJFWSA-N -1 0 362.386 -0.322 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000834197006 605376865 /nfs/dbraw/zinc/37/68/65/605376865.db2.gz OGMIHGXFQNYTRT-ZDUSSCGKSA-N -1 0 362.386 -0.322 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000834197008 605370170 /nfs/dbraw/zinc/37/01/70/605370170.db2.gz OHGAFJKKXNASCT-JTQLQIEISA-N -1 0 352.322 -0.569 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000834197012 605369961 /nfs/dbraw/zinc/36/99/61/605369961.db2.gz OHGAFJKKXNASCT-SNVBAGLBSA-N -1 0 352.322 -0.569 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCCNC(=O)c1c(F)cccc1F ZINC000834197021 605382661 /nfs/dbraw/zinc/38/26/61/605382661.db2.gz WQUMAEMHFKGWET-UHFFFAOYSA-N -1 0 358.301 -0.805 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1 ZINC000834197024 605393039 /nfs/dbraw/zinc/39/30/39/605393039.db2.gz OJWJYSOWTCQQPK-AWEZNQCLSA-N -1 0 374.357 -0.411 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H](C(=O)Nc1cn[nH]c1)c1ccccc1 ZINC000834197026 605393653 /nfs/dbraw/zinc/39/36/53/605393653.db2.gz OJWJYSOWTCQQPK-CQSZACIVSA-N -1 0 374.357 -0.411 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000834197051 605378909 /nfs/dbraw/zinc/37/89/09/605378909.db2.gz OWEZDDBYZIDVAA-UHFFFAOYSA-N -1 0 374.357 -0.689 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000834197103 605351709 /nfs/dbraw/zinc/35/17/09/605351709.db2.gz QFEWEKCMMVNEHD-UHFFFAOYSA-N -1 0 358.358 -0.329 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000834197187 605338657 /nfs/dbraw/zinc/33/86/57/605338657.db2.gz WWJJFCRCLGJNSS-UHFFFAOYSA-N -1 0 364.402 -0.481 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCc1cc(F)ccc1N1CCOCC1 ZINC000834197241 605349095 /nfs/dbraw/zinc/34/90/95/605349095.db2.gz XWRCNZHSGUBXQL-UHFFFAOYSA-N -1 0 368.365 -0.338 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCc1cccc(CN2CCCC2=O)c1 ZINC000834197258 605339175 /nfs/dbraw/zinc/33/91/75/605339175.db2.gz YVEHPRDBOVOZBJ-UHFFFAOYSA-N -1 0 362.386 -0.191 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000834197270 605376517 /nfs/dbraw/zinc/37/65/17/605376517.db2.gz ZJWIHRGWRRUORS-CYBMUJFWSA-N -1 0 362.386 -0.465 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000834197271 605376560 /nfs/dbraw/zinc/37/65/60/605376560.db2.gz ZJWIHRGWRRUORS-ZDUSSCGKSA-N -1 0 362.386 -0.465 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1 ZINC000834197293 605380674 /nfs/dbraw/zinc/38/06/74/605380674.db2.gz QMDMYOKODKTRKT-AWEZNQCLSA-N -1 0 374.357 -0.411 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1 ZINC000834197294 605380864 /nfs/dbraw/zinc/38/08/64/605380864.db2.gz QMDMYOKODKTRKT-CQSZACIVSA-N -1 0 374.357 -0.411 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000834197345 605374611 /nfs/dbraw/zinc/37/46/11/605374611.db2.gz RRZWBOGRMDPLNJ-SSDOTTSWSA-N -1 0 354.285 -0.960 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000834197346 605374735 /nfs/dbraw/zinc/37/47/35/605374735.db2.gz RRZWBOGRMDPLNJ-ZETCQYMHSA-N -1 0 354.285 -0.960 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000834197349 605376446 /nfs/dbraw/zinc/37/64/46/605376446.db2.gz RSYCLJXRJMNVAI-LLVKDONJSA-N -1 0 366.349 -0.179 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000834197350 605376663 /nfs/dbraw/zinc/37/66/63/605376663.db2.gz RSYCLJXRJMNVAI-NSHDSACASA-N -1 0 366.349 -0.179 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000834197494 605352240 /nfs/dbraw/zinc/35/22/40/605352240.db2.gz SZNZXSHLBRJBQO-UHFFFAOYSA-N -1 0 350.257 -0.977 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000834197511 605373084 /nfs/dbraw/zinc/37/30/84/605373084.db2.gz UQIZEYMUGQLBRQ-HZSPNIEDSA-N -1 0 374.397 -0.357 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000834197512 605372565 /nfs/dbraw/zinc/37/25/65/605372565.db2.gz UQIZEYMUGQLBRQ-MCIONIFRSA-N -1 0 374.397 -0.357 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000834197513 605372556 /nfs/dbraw/zinc/37/25/56/605372556.db2.gz UQIZEYMUGQLBRQ-MGPQQGTHSA-N -1 0 374.397 -0.357 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000834197514 605372660 /nfs/dbraw/zinc/37/26/60/605372660.db2.gz UQIZEYMUGQLBRQ-RDBSUJKOSA-N -1 0 374.397 -0.357 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCC(=O)Nc1cccc2cccnc21 ZINC000834197523 605378374 /nfs/dbraw/zinc/37/83/74/605378374.db2.gz UZGVEQKZCIDFBO-UHFFFAOYSA-N -1 0 359.342 -0.327 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC000834197545 605336375 /nfs/dbraw/zinc/33/63/75/605336375.db2.gz VODHCXLJGMOUCN-UHFFFAOYSA-N -1 0 352.347 -0.616 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000834197844 605382743 /nfs/dbraw/zinc/38/27/43/605382743.db2.gz BLUUACITUGZNJS-UHFFFAOYSA-N -1 0 367.402 -0.146 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000834197851 605352989 /nfs/dbraw/zinc/35/29/89/605352989.db2.gz YIMXQMUQAANCNP-GFCCVEGCSA-N -1 0 354.407 -0.332 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000834197854 605352290 /nfs/dbraw/zinc/35/22/90/605352290.db2.gz YIMXQMUQAANCNP-LBPRGKRZSA-N -1 0 354.407 -0.332 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000834197954 605362382 /nfs/dbraw/zinc/36/23/82/605362382.db2.gz ZKXUFRQYNNYXTJ-UHFFFAOYSA-N -1 0 362.264 -0.458 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 ZINC000834197956 605378572 /nfs/dbraw/zinc/37/85/72/605378572.db2.gz ZLMFLWDDWKWJDP-UHFFFAOYSA-N -1 0 368.312 -0.570 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCc1ccccc1CN1CCCC1=O ZINC000834197984 605338829 /nfs/dbraw/zinc/33/88/29/605338829.db2.gz DRCRVUPXNSIFMN-UHFFFAOYSA-N -1 0 362.386 -0.191 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000834197999 605383758 /nfs/dbraw/zinc/38/37/58/605383758.db2.gz CYNUKNHOEKSJJU-LLVKDONJSA-N -1 0 365.342 -0.447 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)N[C@H]1CCOc2ccccc21 ZINC000834198002 605383460 /nfs/dbraw/zinc/38/34/60/605383460.db2.gz CYNUKNHOEKSJJU-NSHDSACASA-N -1 0 365.342 -0.447 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccccc1N1CCC(O)CC1 ZINC000834198026 605371210 /nfs/dbraw/zinc/37/12/10/605371210.db2.gz AHCGRUQUOQCTCY-UHFFFAOYSA-N -1 0 350.375 -0.030 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000834198090 605395016 /nfs/dbraw/zinc/39/50/16/605395016.db2.gz BIZIJCMMCRWVPQ-UHFFFAOYSA-N -1 0 364.402 -0.034 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000834198111 605384563 /nfs/dbraw/zinc/38/45/63/605384563.db2.gz DOAKTGDOGVJLBQ-UHFFFAOYSA-N -1 0 367.402 -0.002 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1nc(CN2CCOCC2)cs1 ZINC000834198118 605371271 /nfs/dbraw/zinc/37/12/71/605371271.db2.gz DUCZUEQZVPEOPX-UHFFFAOYSA-N -1 0 357.392 -0.702 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cccnc1N1CCC(CO)CC1 ZINC000834198121 605399835 /nfs/dbraw/zinc/39/98/35/605399835.db2.gz CGVRQDDMBANPSX-UHFFFAOYSA-N -1 0 365.390 -0.387 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cccnc1N1CCC(O)CC1 ZINC000834198123 605400225 /nfs/dbraw/zinc/40/02/25/605400225.db2.gz CMHZCZYWRFTJHQ-UHFFFAOYSA-N -1 0 351.363 -0.635 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000834198125 605382799 /nfs/dbraw/zinc/38/27/99/605382799.db2.gz DUEKOIJFNCWBBJ-UHFFFAOYSA-N -1 0 363.326 -0.319 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000834198141 605384283 /nfs/dbraw/zinc/38/42/83/605384283.db2.gz DYHVHKWTTOFSEG-UHFFFAOYSA-N -1 0 365.298 -0.873 20 0 FBADRM O=C([O-])N[C@H]1CCc2ncc(NC(=O)NCC(=O)NCCO)cc2C1 ZINC000834198240 605357829 /nfs/dbraw/zinc/35/78/29/605357829.db2.gz ZZYACJKQGQEYBG-JTQLQIEISA-N -1 0 351.363 -0.564 20 0 FBADRM O=C([O-])N[C@@H]1CCc2ncc(NC(=O)NCC(=O)NCCO)cc2C1 ZINC000834198244 605358267 /nfs/dbraw/zinc/35/82/67/605358267.db2.gz ZZYACJKQGQEYBG-SNVBAGLBSA-N -1 0 351.363 -0.564 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000834198257 605336994 /nfs/dbraw/zinc/33/69/94/605336994.db2.gz FQPGLPCWYRUUDT-UHFFFAOYSA-N -1 0 370.387 -0.550 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cccc(CN2CCOCC2)n1 ZINC000834198274 605445924 /nfs/dbraw/zinc/44/59/24/605445924.db2.gz GIDJIBHGGINSMN-UHFFFAOYSA-N -1 0 351.363 -0.764 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000834198298 605376785 /nfs/dbraw/zinc/37/67/85/605376785.db2.gz HANWNZIBWWQFOH-UHFFFAOYSA-N -1 0 354.338 -0.015 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000834198321 605378705 /nfs/dbraw/zinc/37/87/05/605378705.db2.gz HGQUHYVPJCNRQV-UHFFFAOYSA-N -1 0 354.338 -0.015 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000834198328 605336530 /nfs/dbraw/zinc/33/65/30/605336530.db2.gz HHLOXLYUWMVZEM-UHFFFAOYSA-N -1 0 359.346 -0.003 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000834198331 605382319 /nfs/dbraw/zinc/38/23/19/605382319.db2.gz FLSNZXFXZILUGD-GHMZBOCLSA-N -1 0 357.363 -0.917 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000834198334 605382495 /nfs/dbraw/zinc/38/24/95/605382495.db2.gz FLSNZXFXZILUGD-MNOVXSKESA-N -1 0 357.363 -0.917 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000834198335 605382693 /nfs/dbraw/zinc/38/26/93/605382693.db2.gz FLSNZXFXZILUGD-QWRGUYRKSA-N -1 0 357.363 -0.917 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000834198336 605382285 /nfs/dbraw/zinc/38/22/85/605382285.db2.gz FLSNZXFXZILUGD-WDEREUQCSA-N -1 0 357.363 -0.917 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)c1ccc2c(c1)OCCO2 ZINC000834198348 605382785 /nfs/dbraw/zinc/38/27/85/605382785.db2.gz FSRAWAGICYIDJT-UHFFFAOYSA-N -1 0 352.299 -0.433 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)Nc1cccc2nsnc21 ZINC000834198411 605382969 /nfs/dbraw/zinc/38/29/69/605382969.db2.gz GWTSWDWKMAIHEG-UHFFFAOYSA-N -1 0 367.343 -0.443 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000834198423 605338904 /nfs/dbraw/zinc/33/89/04/605338904.db2.gz IWDVKYIEAJWRJW-UHFFFAOYSA-N -1 0 350.331 -0.039 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000834198424 605367018 /nfs/dbraw/zinc/36/70/18/605367018.db2.gz IXRKSTMUECUKNY-UHFFFAOYSA-N -1 0 363.330 -0.939 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000834198442 605362679 /nfs/dbraw/zinc/36/26/79/605362679.db2.gz JHCCRYVIJGHZKQ-UHFFFAOYSA-N -1 0 350.375 -0.159 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)OCc1cc(=O)oc2cc(O)ccc12 ZINC000834198535 605382461 /nfs/dbraw/zinc/38/24/61/605382461.db2.gz KGEPPAISMKEWGL-UHFFFAOYSA-N -1 0 350.283 -0.074 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000834198568 605369173 /nfs/dbraw/zinc/36/91/73/605369173.db2.gz KUIBCADEMRUQKU-UHFFFAOYSA-N -1 0 370.387 -0.451 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)O[C@@H]1CCN(c2ccccc2F)C1=O ZINC000834198632 605384037 /nfs/dbraw/zinc/38/40/37/605384037.db2.gz LKIDGXCRRLYMLT-LLVKDONJSA-N -1 0 353.306 -0.142 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 ZINC000834198633 605365421 /nfs/dbraw/zinc/36/54/21/605365421.db2.gz MRZGXNBHURXSNW-UHFFFAOYSA-N -1 0 362.342 -0.342 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)O[C@H]1CCN(c2ccccc2F)C1=O ZINC000834198634 605384028 /nfs/dbraw/zinc/38/40/28/605384028.db2.gz LKIDGXCRRLYMLT-NSHDSACASA-N -1 0 353.306 -0.142 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccccc1CN1C(=O)CCC1=O ZINC000834198635 605374880 /nfs/dbraw/zinc/37/48/80/605374880.db2.gz MVFSJNLOVWEVHV-UHFFFAOYSA-N -1 0 362.342 -0.342 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCc1ccccc1N1CCOCC1 ZINC000834198668 605373363 /nfs/dbraw/zinc/37/33/63/605373363.db2.gz LVMYXIANHVAFFE-UHFFFAOYSA-N -1 0 350.375 -0.477 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000834198678 605338770 /nfs/dbraw/zinc/33/87/70/605338770.db2.gz MCGCPORJOFVYPR-UHFFFAOYSA-N -1 0 374.279 -0.252 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000834198679 605340495 /nfs/dbraw/zinc/34/04/95/605340495.db2.gz NMQWDISANCOZPO-UHFFFAOYSA-N -1 0 350.331 -0.039 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000834198689 605386289 /nfs/dbraw/zinc/38/62/89/605386289.db2.gz NTOFIVFQHZDGKX-JTQLQIEISA-N -1 0 362.342 -0.786 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000834198694 605386667 /nfs/dbraw/zinc/38/66/67/605386667.db2.gz NTOFIVFQHZDGKX-SNVBAGLBSA-N -1 0 362.342 -0.786 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccccc1CN1CCOCC1 ZINC000834198700 605370987 /nfs/dbraw/zinc/37/09/87/605370987.db2.gz NUFCVAMHLJGKLY-UHFFFAOYSA-N -1 0 350.375 -0.159 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000834198709 605369267 /nfs/dbraw/zinc/36/92/67/605369267.db2.gz MNPWDJPGDZMIQS-UHFFFAOYSA-N -1 0 364.358 -0.519 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000834198729 605339079 /nfs/dbraw/zinc/33/90/79/605339079.db2.gz ODKLGEMGBZKDPJ-UHFFFAOYSA-N -1 0 364.358 -0.519 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCc1ccccc1CN1CCOCC1 ZINC000834198749 605338927 /nfs/dbraw/zinc/33/89/27/605338927.db2.gz MZCWTISEDZOVPY-UHFFFAOYSA-N -1 0 364.402 -0.481 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000834198759 605376829 /nfs/dbraw/zinc/37/68/29/605376829.db2.gz MYJKGAHEUJIEHH-UHFFFAOYSA-N -1 0 366.378 -0.736 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000834198785 605338627 /nfs/dbraw/zinc/33/86/27/605338627.db2.gz NSQSPRRDQUSPCQ-UHFFFAOYSA-N -1 0 364.402 -0.481 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000834198812 605384826 /nfs/dbraw/zinc/38/48/26/605384826.db2.gz NZWGZAWWGIIGBG-MRVPVSSYSA-N -1 0 369.296 -0.286 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000834198814 605384851 /nfs/dbraw/zinc/38/48/51/605384851.db2.gz NZWGZAWWGIIGBG-QMMMGPOBSA-N -1 0 369.296 -0.286 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 ZINC000834198834 605367501 /nfs/dbraw/zinc/36/75/01/605367501.db2.gz PHCQPSOEUXKJRY-UHFFFAOYSA-N -1 0 356.722 -0.007 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCc1ccnc(OC2CCOCC2)c1 ZINC000834198882 605349458 /nfs/dbraw/zinc/34/94/58/605349458.db2.gz QWHXLDHXCRGGHD-UHFFFAOYSA-N -1 0 366.374 -0.361 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cccc(CN2CCOCC2)c1 ZINC000834198894 605372881 /nfs/dbraw/zinc/37/28/81/605372881.db2.gz PNLLCIDXNTWHLW-UHFFFAOYSA-N -1 0 350.375 -0.159 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cccc(Cn2cccnc2=O)c1 ZINC000834198898 605338966 /nfs/dbraw/zinc/33/89/66/605338966.db2.gz PUSPMSGUCQORLM-UHFFFAOYSA-N -1 0 359.342 -0.386 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000834198920 605400456 /nfs/dbraw/zinc/40/04/56/605400456.db2.gz QNABPWABFIIDDI-UHFFFAOYSA-N -1 0 359.342 -0.335 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000834198937 605336383 /nfs/dbraw/zinc/33/63/83/605336383.db2.gz REAGZSKYWRSIPH-UHFFFAOYSA-N -1 0 370.387 -0.451 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)N1CCc2sccc2C1 ZINC000834199029 605384514 /nfs/dbraw/zinc/38/45/14/605384514.db2.gz PNTVOKBCEMLWEF-UHFFFAOYSA-N -1 0 355.372 -0.440 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000834199066 605381255 /nfs/dbraw/zinc/38/12/55/605381255.db2.gz UAZXQHVDNOREDA-UHFFFAOYSA-N -1 0 350.310 -0.389 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)OCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000834199069 605383826 /nfs/dbraw/zinc/38/38/26/605383826.db2.gz QMFXUVMJSZBXCJ-UHFFFAOYSA-N -1 0 368.733 -0.225 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000834199094 605384258 /nfs/dbraw/zinc/38/42/58/605384258.db2.gz RFLXZUCNYUJXBL-UHFFFAOYSA-N -1 0 365.302 -0.866 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000834199185 605336452 /nfs/dbraw/zinc/33/64/52/605336452.db2.gz WHALBYCIBJXLQR-UHFFFAOYSA-N -1 0 364.358 -0.519 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc(N2CCC(O)CC2)cc1 ZINC000834199216 605389083 /nfs/dbraw/zinc/38/90/83/605389083.db2.gz XLLXWPFZZYZOOM-UHFFFAOYSA-N -1 0 350.375 -0.030 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cccn(CC(F)(F)F)c1=O ZINC000834199224 605389162 /nfs/dbraw/zinc/38/91/62/605389162.db2.gz XPJDDWNNCHVBFC-UHFFFAOYSA-N -1 0 350.253 -0.267 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)NCc1cccc(N2CCOC2=O)c1 ZINC000834199279 605344658 /nfs/dbraw/zinc/34/46/58/605344658.db2.gz WVPJMROBVDFRTL-UHFFFAOYSA-N -1 0 350.331 -0.357 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1cc(-c2cccs2)nn1CCO ZINC000834199286 605379290 /nfs/dbraw/zinc/37/92/90/605379290.db2.gz XCWURIJLQMUDHU-UHFFFAOYSA-N -1 0 367.387 -0.074 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000834199346 605365382 /nfs/dbraw/zinc/36/53/82/605365382.db2.gz ZZCCUKWBVRNIDV-UHFFFAOYSA-N -1 0 363.330 -0.939 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)NC(=O)NC1CCCCC1 ZINC000834199365 605383780 /nfs/dbraw/zinc/38/37/80/605383780.db2.gz SRWMMTWCCJLBIG-UHFFFAOYSA-N -1 0 358.351 -0.928 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000834199376 605383678 /nfs/dbraw/zinc/38/36/78/605383678.db2.gz SZOTXXUXAPAWIE-UHFFFAOYSA-N -1 0 367.314 -0.677 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1 ZINC000834199379 605881223 /nfs/dbraw/zinc/88/12/23/605881223.db2.gz TVASVKHEHPXFAP-UHFFFAOYSA-N -1 0 350.310 -0.143 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)O[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000834199472 605383738 /nfs/dbraw/zinc/38/37/38/605383738.db2.gz XREMJRJCYUULOG-JTQLQIEISA-N -1 0 371.296 -0.003 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)O[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000834199473 605383655 /nfs/dbraw/zinc/38/36/55/605383655.db2.gz XREMJRJCYUULOG-SNVBAGLBSA-N -1 0 371.296 -0.003 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)OCCN1C(=O)COc2ccccc21 ZINC000834199504 605546955 /nfs/dbraw/zinc/54/69/55/605546955.db2.gz YTYUAGIMEWKMKQ-UHFFFAOYSA-N -1 0 351.315 -0.661 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)NC(=O)Nc1ccccc1 ZINC000834199505 605384487 /nfs/dbraw/zinc/38/44/87/605384487.db2.gz YUXIOEIGFMEJOB-UHFFFAOYSA-N -1 0 352.303 -0.738 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000834199514 605384961 /nfs/dbraw/zinc/38/49/61/605384961.db2.gz ZCANKHCINFXNLI-UHFFFAOYSA-N -1 0 353.287 -0.719 20 0 FBADRM O=C([O-])NCC(=O)NCC(=O)OCC(=O)N1CCC(c2ccccc2)=N1 ZINC000834199526 605385047 /nfs/dbraw/zinc/38/50/47/605385047.db2.gz ZWEKIVWLDNCUBW-UHFFFAOYSA-N -1 0 362.342 -0.450 20 0 FBADRM O=C([O-])NC[C@@H](NC(=O)NCCN1CCNC(=O)C1)C1CCCCC1 ZINC000834204183 605879220 /nfs/dbraw/zinc/87/92/20/605879220.db2.gz BTLFTEKIRMESPK-CYBMUJFWSA-N -1 0 355.439 -0.066 20 0 FBADRM O=C([O-])NC[C@H](NC(=O)NCCN1CCNC(=O)C1)C1CCCCC1 ZINC000834204184 605878933 /nfs/dbraw/zinc/87/89/33/605878933.db2.gz BTLFTEKIRMESPK-ZDUSSCGKSA-N -1 0 355.439 -0.066 20 0 FBADRM O=C([O-])NCC1(C(=O)OCCN2CCCS2(=O)=O)CCOCC1 ZINC000834206468 605948977 /nfs/dbraw/zinc/94/89/77/605948977.db2.gz BNBYEJZCGSXPHV-UHFFFAOYSA-N -1 0 350.393 -0.371 20 0 FBADRM O=C([O-])NCC1(C(=O)OCC(=O)NCC(=O)N2CCCC2)CCOCC1 ZINC000834207594 605950207 /nfs/dbraw/zinc/95/02/07/605950207.db2.gz STKZZEKEQUUYPD-UHFFFAOYSA-N -1 0 371.390 -0.667 20 0 FBADRM O=C([O-])NC[C@H](C(=O)NC[C@@H](O)CN1CCOCC1)c1ccccc1 ZINC000834210139 605408552 /nfs/dbraw/zinc/40/85/52/605408552.db2.gz NLTWXDGNPKQVNK-CABCVRRESA-N -1 0 351.403 -0.153 20 0 FBADRM O=C([O-])NC[C@H](C(=O)NC[C@H](O)CN1CCOCC1)c1ccccc1 ZINC000834210140 605408666 /nfs/dbraw/zinc/40/86/66/605408666.db2.gz NLTWXDGNPKQVNK-GJZGRUSLSA-N -1 0 351.403 -0.153 20 0 FBADRM O=C([O-])NC[C@@H](C(=O)NC[C@@H](O)CN1CCOCC1)c1ccccc1 ZINC000834210141 605408398 /nfs/dbraw/zinc/40/83/98/605408398.db2.gz NLTWXDGNPKQVNK-HUUCEWRRSA-N -1 0 351.403 -0.153 20 0 FBADRM O=C([O-])NC[C@@H](C(=O)NC[C@H](O)CN1CCOCC1)c1ccccc1 ZINC000834210142 605408688 /nfs/dbraw/zinc/40/86/88/605408688.db2.gz NLTWXDGNPKQVNK-LSDHHAIUSA-N -1 0 351.403 -0.153 20 0 FBADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)N(CCO)CCN1CCOCC1 ZINC000834212381 605938960 /nfs/dbraw/zinc/93/89/60/605938960.db2.gz UEOFJBWVGNKLLC-KBPBESRZSA-N -1 0 358.439 -0.241 20 0 FBADRM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)N(CCO)CCN1CCOCC1 ZINC000834212383 605938808 /nfs/dbraw/zinc/93/88/08/605938808.db2.gz UEOFJBWVGNKLLC-KGLIPLIRSA-N -1 0 358.439 -0.241 20 0 FBADRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)N(CCO)CCN1CCOCC1 ZINC000834212385 605938782 /nfs/dbraw/zinc/93/87/82/605938782.db2.gz UEOFJBWVGNKLLC-UONOGXRCSA-N -1 0 358.439 -0.241 20 0 FBADRM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)N(CCO)CCN1CCOCC1 ZINC000834212387 605938836 /nfs/dbraw/zinc/93/88/36/605938836.db2.gz UEOFJBWVGNKLLC-ZIAGYGMSSA-N -1 0 358.439 -0.241 20 0 FBADRM O=C([O-])NC[C@H]1CCCN1C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000834216258 605634399 /nfs/dbraw/zinc/63/43/99/605634399.db2.gz RMYCDFVNHPEMKG-LLVKDONJSA-N -1 0 371.419 -0.199 20 0 FBADRM O=C([O-])NC[C@@H]1CCCN1C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000834216260 605634510 /nfs/dbraw/zinc/63/45/10/605634510.db2.gz RMYCDFVNHPEMKG-NSHDSACASA-N -1 0 371.419 -0.199 20 0 FBADRM O=C([O-])NC[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000834225452 605634612 /nfs/dbraw/zinc/63/46/12/605634612.db2.gz LBKDIGXNWKTFIK-LLVKDONJSA-N -1 0 371.419 -0.341 20 0 FBADRM O=C([O-])NC[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000834225457 605634411 /nfs/dbraw/zinc/63/44/11/605634411.db2.gz LBKDIGXNWKTFIK-NSHDSACASA-N -1 0 371.419 -0.341 20 0 FBADRM O=C([O-])NCCCC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000834230326 605719522 /nfs/dbraw/zinc/71/95/22/605719522.db2.gz TTXXMNDIUCUCFM-GFCCVEGCSA-N -1 0 363.436 -0.313 20 0 FBADRM O=C([O-])NCCCC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000834230328 605719196 /nfs/dbraw/zinc/71/91/96/605719196.db2.gz TTXXMNDIUCUCFM-LBPRGKRZSA-N -1 0 363.436 -0.313 20 0 FBADRM O=C([O-])NCCCCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000834235850 605889821 /nfs/dbraw/zinc/88/98/21/605889821.db2.gz GVUZTIWQAKERIG-UHFFFAOYSA-N -1 0 356.423 -0.573 20 0 FBADRM O=C([O-])NCCCCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000834236155 605889504 /nfs/dbraw/zinc/88/95/04/605889504.db2.gz LJPYDJXVNXJOTN-UHFFFAOYSA-N -1 0 356.423 -0.573 20 0 FBADRM O=C([O-])NCCCCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000834236501 605921097 /nfs/dbraw/zinc/92/10/97/605921097.db2.gz UNQNWBJDKSNVQZ-NEPJUHHUSA-N -1 0 363.436 -0.962 20 0 FBADRM O=C([O-])NCCCCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000834236502 605921485 /nfs/dbraw/zinc/92/14/85/605921485.db2.gz UNQNWBJDKSNVQZ-NWDGAFQWSA-N -1 0 363.436 -0.962 20 0 FBADRM O=C([O-])NCCCCC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000834236503 605921151 /nfs/dbraw/zinc/92/11/51/605921151.db2.gz UNQNWBJDKSNVQZ-RYUDHWBXSA-N -1 0 363.436 -0.962 20 0 FBADRM O=C([O-])NCCCCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000834236504 605921494 /nfs/dbraw/zinc/92/14/94/605921494.db2.gz UNQNWBJDKSNVQZ-VXGBXAGGSA-N -1 0 363.436 -0.962 20 0 FBADRM O=C([O-])NCCCCC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000834236601 605892411 /nfs/dbraw/zinc/89/24/11/605892411.db2.gz RNIVNDQCSUHQGI-UHFFFAOYSA-N -1 0 368.390 -0.756 20 0 FBADRM O=C([O-])NCCCCC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000834236871 605896499 /nfs/dbraw/zinc/89/64/99/605896499.db2.gz ZTISQLLOUPNUKB-UHFFFAOYSA-N -1 0 353.466 -0.081 20 0 FBADRM O=C([O-])NCCCCC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000834237214 605892114 /nfs/dbraw/zinc/89/21/14/605892114.db2.gz YFQRBRJAKKDGAW-UHFFFAOYSA-N -1 0 354.407 -0.283 20 0 FBADRM O=C([O-])NCCCNC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000834237662 605645938 /nfs/dbraw/zinc/64/59/38/605645938.db2.gz JFKHFZUCSDWBPP-UHFFFAOYSA-N -1 0 350.422 -0.017 20 0 FBADRM O=C([O-])NCCCOC1CCN(Cn2nc3cnccn3c2=O)CC1 ZINC000834238157 605408444 /nfs/dbraw/zinc/40/84/44/605408444.db2.gz JKEDUFWFTFWMOA-UHFFFAOYSA-N -1 0 350.379 -0.013 20 0 FBADRM O=C([O-])NCCCOC1CCN(C(=O)NCC(=O)N2CCOCC2)CC1 ZINC000834238394 606017080 /nfs/dbraw/zinc/01/70/80/606017080.db2.gz KYJMKVNLJFRDRY-UHFFFAOYSA-N -1 0 372.422 -0.307 20 0 FBADRM O=C([O-])NCCCOC1CCN(C(=O)NCCN2CCNC(=O)C2)CC1 ZINC000834239017 605878637 /nfs/dbraw/zinc/87/86/37/605878637.db2.gz VZNJUVZJKFVVDI-UHFFFAOYSA-N -1 0 371.438 -0.734 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)C2(O)CCSCC2)C1 ZINC000834239144 605961445 /nfs/dbraw/zinc/96/14/45/605961445.db2.gz DYKAISOVUATOGE-LLVKDONJSA-N -1 0 359.448 -0.133 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)C2(O)CCSCC2)C1 ZINC000834239145 605961457 /nfs/dbraw/zinc/96/14/57/605961457.db2.gz DYKAISOVUATOGE-NSHDSACASA-N -1 0 359.448 -0.133 20 0 FBADRM O=C([O-])NCCNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000834239189 605931460 /nfs/dbraw/zinc/93/14/60/605931460.db2.gz GGCJPOAIBWHNOC-JTQLQIEISA-N -1 0 362.342 -0.786 20 0 FBADRM O=C([O-])NCCNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000834239190 605931398 /nfs/dbraw/zinc/93/13/98/605931398.db2.gz GGCJPOAIBWHNOC-SNVBAGLBSA-N -1 0 362.342 -0.786 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)NCC(=O)NCC2CC2)C1 ZINC000834239561 605686022 /nfs/dbraw/zinc/68/60/22/605686022.db2.gz NKYPHOAVQOWVDV-GFCCVEGCSA-N -1 0 369.422 -0.682 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)NCC(=O)NCC2CC2)C1 ZINC000834239563 605686380 /nfs/dbraw/zinc/68/63/80/605686380.db2.gz NKYPHOAVQOWVDV-LBPRGKRZSA-N -1 0 369.422 -0.682 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)NCCc2cnccn2)C1 ZINC000834239714 605973769 /nfs/dbraw/zinc/97/37/69/605973769.db2.gz GDBHENCHMMDHIF-GFCCVEGCSA-N -1 0 364.406 -0.176 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)NCCc2cnccn2)C1 ZINC000834239715 605973750 /nfs/dbraw/zinc/97/37/50/605973750.db2.gz GDBHENCHMMDHIF-LBPRGKRZSA-N -1 0 364.406 -0.176 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=S)NC[C@H]2CCOC2)C1 ZINC000834240351 605789880 /nfs/dbraw/zinc/78/98/80/605789880.db2.gz JWFSEOBMMMUTJF-NEPJUHHUSA-N -1 0 358.464 -0.007 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=S)NC[C@@H]2CCOC2)C1 ZINC000834240354 605789707 /nfs/dbraw/zinc/78/97/07/605789707.db2.gz JWFSEOBMMMUTJF-NWDGAFQWSA-N -1 0 358.464 -0.007 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=S)NC[C@@H]2CCOC2)C1 ZINC000834240356 605789884 /nfs/dbraw/zinc/78/98/84/605789884.db2.gz JWFSEOBMMMUTJF-RYUDHWBXSA-N -1 0 358.464 -0.007 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=S)NC[C@H]2CCOC2)C1 ZINC000834240359 605789783 /nfs/dbraw/zinc/78/97/83/605789783.db2.gz JWFSEOBMMMUTJF-VXGBXAGGSA-N -1 0 358.464 -0.007 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)c2cnc3n[nH]nc3c2)C1 ZINC000834241460 605373220 /nfs/dbraw/zinc/37/32/20/605373220.db2.gz SDDDQPAIAJJFIQ-SECBINFHSA-N -1 0 361.362 -0.411 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)c2cnc3n[nH]nc3c2)C1 ZINC000834241461 605373853 /nfs/dbraw/zinc/37/38/53/605373853.db2.gz SDDDQPAIAJJFIQ-VIFPVBQESA-N -1 0 361.362 -0.411 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc3ncnn32)C1 ZINC000834241808 605940155 /nfs/dbraw/zinc/94/01/55/605940155.db2.gz VKEKJYDIBLOHTK-LLVKDONJSA-N -1 0 360.374 -0.035 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)c2cccc3ncnn32)C1 ZINC000834241809 605940322 /nfs/dbraw/zinc/94/03/22/605940322.db2.gz VKEKJYDIBLOHTK-NSHDSACASA-N -1 0 360.374 -0.035 20 0 FBADRM O=C([O-])NCCOCC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC000834241995 605663737 /nfs/dbraw/zinc/66/37/37/605663737.db2.gz CDTIQAAQRWRMQJ-LLVKDONJSA-N -1 0 350.331 -0.340 20 0 FBADRM O=C([O-])NCCOCC(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000834241996 605663909 /nfs/dbraw/zinc/66/39/09/605663909.db2.gz CDTIQAAQRWRMQJ-NSHDSACASA-N -1 0 350.331 -0.340 20 0 FBADRM O=C([O-])NCCOc1ccc(NC(=O)C(=O)N2CCNC(=O)C2)cc1 ZINC000834242059 605525141 /nfs/dbraw/zinc/52/51/41/605525141.db2.gz DAVGPMSJAKMMNC-UHFFFAOYSA-N -1 0 350.331 -0.770 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccn2)C1 ZINC000834242091 605406546 /nfs/dbraw/zinc/40/65/46/605406546.db2.gz WXYKJYGHWXBRDD-LLVKDONJSA-N -1 0 356.404 -0.134 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccn2)C1 ZINC000834242092 605406526 /nfs/dbraw/zinc/40/65/26/605406526.db2.gz WXYKJYGHWXBRDD-NSHDSACASA-N -1 0 356.404 -0.134 20 0 FBADRM O=C([O-])NCCNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000834242135 605821061 /nfs/dbraw/zinc/82/10/61/605821061.db2.gz YHPWHRSEIGIASP-LLVKDONJSA-N -1 0 364.424 -0.910 20 0 FBADRM O=C([O-])NCCNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000834242136 605821385 /nfs/dbraw/zinc/82/13/85/605821385.db2.gz YHPWHRSEIGIASP-NSHDSACASA-N -1 0 364.424 -0.910 20 0 FBADRM O=C([O-])NCCNC(=O)[C@@H]1CCCN(Cn2nc3n(c2=O)CCCC3)C1 ZINC000834242308 605406635 /nfs/dbraw/zinc/40/66/35/605406635.db2.gz ZJVUWNPZOPKWRL-GFCCVEGCSA-N -1 0 366.422 -0.566 20 0 FBADRM O=C([O-])NCCNC(=O)[C@H]1CCCN(Cn2nc3n(c2=O)CCCC3)C1 ZINC000834242310 605406602 /nfs/dbraw/zinc/40/66/02/605406602.db2.gz ZJVUWNPZOPKWRL-LBPRGKRZSA-N -1 0 366.422 -0.566 20 0 FBADRM O=C([O-])NCCOc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)cc1 ZINC000834242381 605573748 /nfs/dbraw/zinc/57/37/48/605573748.db2.gz HFUTUCKEEMJYFR-TXEJJXNPSA-N -1 0 367.358 -0.774 20 0 FBADRM O=C([O-])NCCOc1ccc(NC(=O)C(=O)N2CCO[C@@H](CO)C2)cc1 ZINC000834242464 605576291 /nfs/dbraw/zinc/57/62/91/605576291.db2.gz JWSMIHFEJFDTKE-CYBMUJFWSA-N -1 0 367.358 -0.509 20 0 FBADRM O=C([O-])NCCOc1ccc(NC(=O)C(=O)N2CCO[C@H](CO)C2)cc1 ZINC000834242465 605576640 /nfs/dbraw/zinc/57/66/40/605576640.db2.gz JWSMIHFEJFDTKE-ZDUSSCGKSA-N -1 0 367.358 -0.509 20 0 FBADRM O=C([O-])NCCOc1ccc(NC(=O)C(=O)N2CCn3cnnc3C2)cc1 ZINC000834242504 605571813 /nfs/dbraw/zinc/57/18/13/605571813.db2.gz LBGMJLCOLUGULB-UHFFFAOYSA-N -1 0 374.357 -0.095 20 0 FBADRM O=C([O-])NCCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCNC2=O)cc1 ZINC000834242804 605576593 /nfs/dbraw/zinc/57/65/93/605576593.db2.gz QBKATEIKOSHDIL-GFCCVEGCSA-N -1 0 364.358 -0.334 20 0 FBADRM O=C([O-])NCCOc1ccc(NC(=O)C(=O)N[C@H]2CCCNC2=O)cc1 ZINC000834242806 605576617 /nfs/dbraw/zinc/57/66/17/605576617.db2.gz QBKATEIKOSHDIL-LBPRGKRZSA-N -1 0 364.358 -0.334 20 0 FBADRM O=C([O-])NCCOc1ccc(NC(=O)C(=O)N2CCCNC(=O)C2)cc1 ZINC000834242826 605571689 /nfs/dbraw/zinc/57/16/89/605571689.db2.gz QJCKPXPVZJYWFG-UHFFFAOYSA-N -1 0 364.358 -0.380 20 0 FBADRM O=C([O-])NCCNS(=O)(=O)c1cccc(NC(=O)c2nc[nH]n2)c1 ZINC000834243267 605600175 /nfs/dbraw/zinc/60/01/75/605600175.db2.gz KKYUFQHVJUWDGM-UHFFFAOYSA-N -1 0 354.348 -0.397 20 0 FBADRM O=C([O-])NCCNC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000834243961 605917761 /nfs/dbraw/zinc/91/77/61/605917761.db2.gz XVAGNUKEICWQLJ-MRVPVSSYSA-N -1 0 351.406 -0.551 20 0 FBADRM O=C([O-])NCCNC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000834243962 605917388 /nfs/dbraw/zinc/91/73/88/605917388.db2.gz XVAGNUKEICWQLJ-QMMMGPOBSA-N -1 0 351.406 -0.551 20 0 FBADRM O=C([O-])NCCOc1ccc(NC(=O)C(=O)NC[C@@H]2COCCO2)cc1 ZINC000834244537 605562656 /nfs/dbraw/zinc/56/26/56/605562656.db2.gz NECMMKBTCLDRAR-CYBMUJFWSA-N -1 0 367.358 -0.197 20 0 FBADRM O=C([O-])NCCOc1ccc(NC(=O)C(=O)NC[C@H]2COCCO2)cc1 ZINC000834244539 605562806 /nfs/dbraw/zinc/56/28/06/605562806.db2.gz NECMMKBTCLDRAR-ZDUSSCGKSA-N -1 0 367.358 -0.197 20 0 FBADRM O=C([O-])NCCOc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)cc1 ZINC000834244735 605579018 /nfs/dbraw/zinc/57/90/18/605579018.db2.gz OGMASBCXZXJEJI-INIZCTEOSA-N -1 0 367.358 -0.461 20 0 FBADRM O=C([O-])NCCOc1ccc(NC(=O)C(=O)NC[C@]2(O)CCOC2)cc1 ZINC000834244739 605579118 /nfs/dbraw/zinc/57/91/18/605579118.db2.gz OGMASBCXZXJEJI-MRXNPFEDSA-N -1 0 367.358 -0.461 20 0 FBADRM O=C([O-])NCCc1ccc(CNC(=O)NCCN2CCNC(=O)C2)cc1 ZINC000834245478 605879080 /nfs/dbraw/zinc/87/90/80/605879080.db2.gz RJWNXUKBRMSOHQ-UHFFFAOYSA-N -1 0 363.418 -0.272 20 0 FBADRM O=C([O-])NCCOc1cccc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)c1 ZINC000834245670 606027916 /nfs/dbraw/zinc/02/79/16/606027916.db2.gz QIDQWPHSSXKNMX-INIZCTEOSA-N -1 0 367.358 -0.461 20 0 FBADRM O=C([O-])NCCOc1cccc(NC(=O)C(=O)NC[C@]2(O)CCOC2)c1 ZINC000834245877 606027785 /nfs/dbraw/zinc/02/77/85/606027785.db2.gz QIDQWPHSSXKNMX-MRXNPFEDSA-N -1 0 367.358 -0.461 20 0 FBADRM O=C([O-])NCCOc1cccc(NC(=O)NCCN2CCNC(=O)C2)c1 ZINC000834246284 605881198 /nfs/dbraw/zinc/88/11/98/605881198.db2.gz ZBRKGERVUXDEOU-UHFFFAOYSA-N -1 0 365.390 -0.114 20 0 FBADRM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)Cc3[nH]c(O)nc3O)cc2)n1 ZINC000834246543 605935097 /nfs/dbraw/zinc/93/50/97/605935097.db2.gz FTDKXWUNQLHULJ-VIFPVBQESA-N -1 0 373.329 -0.224 20 0 FBADRM O=C([O-])NCc1cccc(NC(=O)C(=O)NCC(=O)N2CCOCC2)c1 ZINC000834246790 606021828 /nfs/dbraw/zinc/02/18/28/606021828.db2.gz DDODHSRQZGDGNR-UHFFFAOYSA-N -1 0 364.358 -0.632 20 0 FBADRM O=C([O-])NCc1nc(C(=O)N(CCO)CCN2CCOCC2)cs1 ZINC000834247230 605329372 /nfs/dbraw/zinc/32/93/72/605329372.db2.gz NZELWBCBJNPFFG-UHFFFAOYSA-N -1 0 358.420 -0.323 20 0 FBADRM O=C([O-])NCc1cccc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)c1 ZINC000834247827 605460457 /nfs/dbraw/zinc/46/04/57/605460457.db2.gz RWGDMUOCNMULAD-UHFFFAOYSA-N -1 0 364.358 -0.944 20 0 FBADRM O=C([O-])NCc1cccc(NC(=O)C(=O)NCCNC(=O)c2ccn[nH]2)c1 ZINC000834248011 605771608 /nfs/dbraw/zinc/77/16/08/605771608.db2.gz VBQRPHABUWDUTJ-UHFFFAOYSA-N -1 0 374.357 -0.338 20 0 FBADRM O=C([O-])NCc1ccc(C(=O)Nc2cnn(CC(=O)NCCO)c2)o1 ZINC000834249077 605379880 /nfs/dbraw/zinc/37/98/80/605379880.db2.gz NJLYDHLCFYOBMU-UHFFFAOYSA-N -1 0 351.319 -0.396 20 0 FBADRM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1C(=O)N[C@]2(CCOC2)C1=O ZINC000834249941 606040902 /nfs/dbraw/zinc/04/09/02/606040902.db2.gz CDFLIGDDVXEKSL-DCGLDWPTSA-N -1 0 363.370 -0.063 20 0 FBADRM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1C(=O)N[C@@]2(CCOC2)C1=O ZINC000834249943 606040389 /nfs/dbraw/zinc/04/03/89/606040389.db2.gz CDFLIGDDVXEKSL-GDZNZVCISA-N -1 0 363.370 -0.063 20 0 FBADRM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCN(C(=O)CO)CC1 ZINC000834251104 605432758 /nfs/dbraw/zinc/43/27/58/605432758.db2.gz SZILMJQREOTGFU-GJZGRUSLSA-N -1 0 351.403 -0.637 20 0 FBADRM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000834251108 605552095 /nfs/dbraw/zinc/55/20/95/605552095.db2.gz TWURIDPKJRIGEQ-IHRRRGAJSA-N -1 0 362.386 -0.538 20 0 FBADRM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000834251122 605551890 /nfs/dbraw/zinc/55/18/90/605551890.db2.gz TWURIDPKJRIGEQ-MJBXVCDLSA-N -1 0 362.386 -0.538 20 0 FBADRM O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCN1CCNC(=O)C1 ZINC000834252435 605879869 /nfs/dbraw/zinc/87/98/69/605879869.db2.gz IDSSBFQPPPSPMA-HNNXBMFYSA-N -1 0 373.413 -0.105 20 0 FBADRM O=C([O-])Nc1ccc(C(=O)NCC(=O)NCCN2CCOCC2)c(O)c1 ZINC000834255203 605650397 /nfs/dbraw/zinc/65/03/97/605650397.db2.gz HFZBJJGLUFXKFB-UHFFFAOYSA-N -1 0 366.374 -0.340 20 0 FBADRM O=C([O-])N[C@H](C(=O)Nc1cnn(CC(=O)NCCO)c1)c1ccccc1 ZINC000834256136 605379199 /nfs/dbraw/zinc/37/91/99/605379199.db2.gz AGDYNCRTBKWUKS-AWEZNQCLSA-N -1 0 361.358 -0.061 20 0 FBADRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000834256276 605859582 /nfs/dbraw/zinc/85/95/82/605859582.db2.gz JUUGJJOSCBEIPR-HUUCEWRRSA-N -1 0 351.403 -0.325 20 0 FBADRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000834256278 605859755 /nfs/dbraw/zinc/85/97/55/605859755.db2.gz JUUGJJOSCBEIPR-LSDHHAIUSA-N -1 0 351.403 -0.325 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)C1 ZINC000834256453 606007113 /nfs/dbraw/zinc/00/71/13/606007113.db2.gz PIPJBJLGKYCCCG-COPLHBTASA-N -1 0 361.420 -0.226 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)C1 ZINC000834256457 606007055 /nfs/dbraw/zinc/00/70/55/606007055.db2.gz PIPJBJLGKYCCCG-MJVIPROJSA-N -1 0 361.420 -0.226 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)C1 ZINC000834256462 606007142 /nfs/dbraw/zinc/00/71/42/606007142.db2.gz PIPJBJLGKYCCCG-SUNKGSAMSA-N -1 0 361.420 -0.226 20 0 FBADRM O=C([O-])N[C@H]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)C1 ZINC000834256699 606007107 /nfs/dbraw/zinc/00/71/07/606007107.db2.gz PIPJBJLGKYCCCG-UHIISALHSA-N -1 0 361.420 -0.226 20 0 FBADRM O=C([O-])Nc1ccc(F)c(NC(=O)C(=O)NCC(=O)N2CCOCC2)c1 ZINC000834259798 606021705 /nfs/dbraw/zinc/02/17/05/606021705.db2.gz FTZDULHMXCQHMK-UHFFFAOYSA-N -1 0 368.321 -0.171 20 0 FBADRM O=C([O-])Nc1ccc(F)c(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)c1 ZINC000834259995 605460733 /nfs/dbraw/zinc/46/07/33/605460733.db2.gz JZKVJBYGIQGQRQ-UHFFFAOYSA-N -1 0 368.321 -0.483 20 0 FBADRM O=C([O-])Nc1ccc(F)c(NC(=O)C(=O)NCCN2CCNC(=O)C2)c1 ZINC000834260742 605888065 /nfs/dbraw/zinc/88/80/65/605888065.db2.gz YOBCSMUBZXSMFF-UHFFFAOYSA-N -1 0 367.337 -0.598 20 0 FBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)cc1 ZINC000834261063 605460813 /nfs/dbraw/zinc/46/08/13/605460813.db2.gz HVSRGYOYJSMOKH-UHFFFAOYSA-N -1 0 350.331 -0.622 20 0 FBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NCC(=O)N2CCOCC2)cc1 ZINC000834262206 606022687 /nfs/dbraw/zinc/02/26/87/606022687.db2.gz SAXMGXZUEGVWJX-UHFFFAOYSA-N -1 0 350.331 -0.310 20 0 FBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000834263107 605658383 /nfs/dbraw/zinc/65/83/83/605658383.db2.gz RDWWJEIVKNHTOG-CYBMUJFWSA-N -1 0 366.374 -0.476 20 0 FBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000834263108 605658252 /nfs/dbraw/zinc/65/82/52/605658252.db2.gz RDWWJEIVKNHTOG-ZDUSSCGKSA-N -1 0 366.374 -0.476 20 0 FBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NCCNC(=O)c2ccn[nH]2)cn1 ZINC000834263284 605771442 /nfs/dbraw/zinc/77/14/42/605771442.db2.gz SKIDODXVTBVEAG-UHFFFAOYSA-N -1 0 361.318 -0.621 20 0 FBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NCC(=O)N2CCOCC2)cn1 ZINC000834263383 606022394 /nfs/dbraw/zinc/02/23/94/606022394.db2.gz VAHXVIMWWIXILC-UHFFFAOYSA-N -1 0 351.319 -0.915 20 0 FBADRM O=C([O-])Nc1ccc(NC(=O)C(=O)NCCNC(=O)c2ccn[nH]2)cc1 ZINC000834263695 605772025 /nfs/dbraw/zinc/77/20/25/605772025.db2.gz VZOCTGSESSCMHG-UHFFFAOYSA-N -1 0 360.330 -0.016 20 0 FBADRM O=C([O-])Nc1cccc(CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 ZINC000834265649 605826447 /nfs/dbraw/zinc/82/64/47/605826447.db2.gz PDITZKXWLYCXTA-UHFFFAOYSA-N -1 0 373.373 -0.324 20 0 FBADRM O=C([O-])Nc1cccc(CC(=O)NCC(=O)NCCN2CCOCC2)c1 ZINC000834267377 605828520 /nfs/dbraw/zinc/82/85/20/605828520.db2.gz SIBUEMYINBCSFG-UHFFFAOYSA-N -1 0 364.402 -0.116 20 0 FBADRM O=C([O-])Nc1ccccc1CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000834271651 606058216 /nfs/dbraw/zinc/05/82/16/606058216.db2.gz WFTLMJFQWYSWBP-UHFFFAOYSA-N -1 0 373.373 -0.324 20 0 FBADRM O=C([O-])Nc1ccccc1CC(=O)NCC(=O)NCCN1CCOCC1 ZINC000834272706 606061344 /nfs/dbraw/zinc/06/13/44/606061344.db2.gz QKPZCLSXDRXNKG-UHFFFAOYSA-N -1 0 364.402 -0.116 20 0 FBADRM O=C([O-])Nc1cnc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC000834275523 606053934 /nfs/dbraw/zinc/05/39/34/606053934.db2.gz BPVFZGXRVGKDIZ-JTQLQIEISA-N -1 0 369.403 -0.489 20 0 FBADRM O=C([O-])Nc1cnc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC000834275524 606053746 /nfs/dbraw/zinc/05/37/46/606053746.db2.gz BPVFZGXRVGKDIZ-SNVBAGLBSA-N -1 0 369.403 -0.489 20 0 FBADRM O=C([O-])Nc1cnc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cn1 ZINC000834275566 606001389 /nfs/dbraw/zinc/00/13/89/606001389.db2.gz DOSLSFCTYNWZLV-UHFFFAOYSA-N -1 0 362.346 -0.871 20 0 FBADRM O=C([O-])Nc1cnc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cn1 ZINC000834276257 606015518 /nfs/dbraw/zinc/01/55/18/606015518.db2.gz NZFNHKGPCNAPRS-UHFFFAOYSA-N -1 0 362.390 -0.053 20 0 FBADRM O=C([O-])Nc1cnc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)cn1 ZINC000834277877 606058169 /nfs/dbraw/zinc/05/81/69/606058169.db2.gz GSEOYKICLUZHBJ-UHFFFAOYSA-N -1 0 369.345 -0.033 20 0 FBADRM O=C([O-])Nc1cnc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cn1 ZINC000834278981 606058374 /nfs/dbraw/zinc/05/83/74/606058374.db2.gz KGENOYCFWRJLPL-GFCCVEGCSA-N -1 0 364.406 -0.297 20 0 FBADRM O=C([O-])Nc1cnc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cn1 ZINC000834278988 606058036 /nfs/dbraw/zinc/05/80/36/606058036.db2.gz KGENOYCFWRJLPL-LBPRGKRZSA-N -1 0 364.406 -0.297 20 0 FBADRM O=C([O-])Nc1cnc(C(=O)OCC(=O)NCC(=O)N2CCCC2)cn1 ZINC000834279707 606011738 /nfs/dbraw/zinc/01/17/38/606011738.db2.gz YECBGWNASZSRQL-UHFFFAOYSA-N -1 0 351.319 -0.538 20 0 FBADRM O=C([O-])Nc1cnc(C(=O)NCCN2CCN(c3ncccn3)CC2)cn1 ZINC000834279887 606001749 /nfs/dbraw/zinc/00/17/49/606001749.db2.gz MTJDRUBSQXOJND-UHFFFAOYSA-N -1 0 372.389 -0.092 20 0 FBADRM O=C([O-])Nc1cnc(C(=O)NCCNS(=O)(=O)Cc2ccon2)cn1 ZINC000834279971 606039142 /nfs/dbraw/zinc/03/91/42/606039142.db2.gz NYKRCCNIKICBAX-UHFFFAOYSA-N -1 0 370.347 -0.596 20 0 FBADRM O=C([O-])Nc1cnc(C(=O)NCCNS(=O)(=O)c2cccnc2)cn1 ZINC000834281206 606006521 /nfs/dbraw/zinc/00/65/21/606006521.db2.gz YZYXJJFIOFFXBX-UHFFFAOYSA-N -1 0 366.359 -0.330 20 0 FBADRM O=C([O-])N1CCC(OC(=O)C2=NC=CN3CCS(=O)(=O)N=C23)CC1 ZINC000834281398 605408751 /nfs/dbraw/zinc/40/87/51/605408751.db2.gz AYXHOVJJVHCRGB-UHFFFAOYSA-N -1 0 356.360 -0.358 20 0 FBADRM O=C([O-])N1CCC(OC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000834282320 605733647 /nfs/dbraw/zinc/73/36/47/605733647.db2.gz QTFLKPYFWVATDN-GHMZBOCLSA-N -1 0 374.415 -0.292 20 0 FBADRM O=C([O-])N1CCC(OC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000834282321 605733830 /nfs/dbraw/zinc/73/38/30/605733830.db2.gz QTFLKPYFWVATDN-MNOVXSKESA-N -1 0 374.415 -0.292 20 0 FBADRM O=C([O-])N1CCC(OC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000834282322 605733598 /nfs/dbraw/zinc/73/35/98/605733598.db2.gz QTFLKPYFWVATDN-QWRGUYRKSA-N -1 0 374.415 -0.292 20 0 FBADRM O=C([O-])N1CCC(OC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000834282323 605733910 /nfs/dbraw/zinc/73/39/10/605733910.db2.gz QTFLKPYFWVATDN-WDEREUQCSA-N -1 0 374.415 -0.292 20 0 FBADRM O=C([O-])N1CCC[C@H]1C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000834287472 605692595 /nfs/dbraw/zinc/69/25/95/605692595.db2.gz LYKVVDOHGMLAGB-ZDUSSCGKSA-N -1 0 359.448 -0.150 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)cc2C1 ZINC000834288674 605633944 /nfs/dbraw/zinc/63/39/44/605633944.db2.gz HVXNVGLCHFVCTB-GFCCVEGCSA-N -1 0 374.357 -0.114 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)cc2C1 ZINC000834288677 605634227 /nfs/dbraw/zinc/63/42/27/605634227.db2.gz HVXNVGLCHFVCTB-LBPRGKRZSA-N -1 0 374.357 -0.114 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000834289091 605664305 /nfs/dbraw/zinc/66/43/05/605664305.db2.gz JRMATCQVCXAZRP-GRYCIOLGSA-N -1 0 362.342 -0.511 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000834289092 605664273 /nfs/dbraw/zinc/66/42/73/605664273.db2.gz JRMATCQVCXAZRP-SDDRHHMPSA-N -1 0 362.342 -0.511 20 0 FBADRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000834289094 605664514 /nfs/dbraw/zinc/66/45/14/605664514.db2.gz JRMATCQVCXAZRP-SRVKXCTJSA-N -1 0 362.342 -0.511 20 0 FBADRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000834289096 605664544 /nfs/dbraw/zinc/66/45/44/605664544.db2.gz JRMATCQVCXAZRP-WOPDTQHZSA-N -1 0 362.342 -0.511 20 0 FBADRM O=C([O-])N1CCC[C@H]1[C@H]1CCCN(C(=O)NCCN2CCNC(=O)C2)C1 ZINC000834289198 605879760 /nfs/dbraw/zinc/87/97/60/605879760.db2.gz JMIHSHXRFLFZCD-KBPBESRZSA-N -1 0 367.450 -0.018 20 0 FBADRM O=C([O-])N1CCC[C@H]1[C@@H]1CCCN(C(=O)NCCN2CCNC(=O)C2)C1 ZINC000834289201 605880022 /nfs/dbraw/zinc/88/00/22/605880022.db2.gz JMIHSHXRFLFZCD-KGLIPLIRSA-N -1 0 367.450 -0.018 20 0 FBADRM O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(C(=O)NCCN2CCNC(=O)C2)C1 ZINC000834289203 605879911 /nfs/dbraw/zinc/87/99/11/605879911.db2.gz JMIHSHXRFLFZCD-UONOGXRCSA-N -1 0 367.450 -0.018 20 0 FBADRM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(C(=O)NCCN2CCNC(=O)C2)C1 ZINC000834289205 605879948 /nfs/dbraw/zinc/87/99/48/605879948.db2.gz JMIHSHXRFLFZCD-ZIAGYGMSSA-N -1 0 367.450 -0.018 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCC4(COC(=O)N4)CC3)C[C@H]2C1 ZINC000834289373 605323548 /nfs/dbraw/zinc/32/35/48/605323548.db2.gz LQHADJPLZIWTIU-LLVKDONJSA-N -1 0 353.379 -0.382 20 0 FBADRM O=C([O-])N1CCN2C(=O)N(CN3CCC4(COC(=O)N4)CC3)C[C@@H]2C1 ZINC000834289376 605323949 /nfs/dbraw/zinc/32/39/49/605323949.db2.gz LQHADJPLZIWTIU-NSHDSACASA-N -1 0 353.379 -0.382 20 0 FBADRM O=C([O-])N1CCC[C@H]1C1CCN(C(=O)NCCN2CCNC(=O)C2)CC1 ZINC000834289380 605879953 /nfs/dbraw/zinc/87/99/53/605879953.db2.gz MHBFVFRLNNXLLO-AWEZNQCLSA-N -1 0 367.450 -0.018 20 0 FBADRM O=C([O-])N1CCC[C@@H]1C1CCN(C(=O)NCCN2CCNC(=O)C2)CC1 ZINC000834289382 605880034 /nfs/dbraw/zinc/88/00/34/605880034.db2.gz MHBFVFRLNNXLLO-CQSZACIVSA-N -1 0 367.450 -0.018 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)C1 ZINC000834289473 605666553 /nfs/dbraw/zinc/66/65/53/605666553.db2.gz MRFMWCBNDGMWKW-NEPJUHHUSA-N -1 0 362.342 -0.246 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)C1 ZINC000834289475 605666999 /nfs/dbraw/zinc/66/69/99/605666999.db2.gz MRFMWCBNDGMWKW-NWDGAFQWSA-N -1 0 362.342 -0.246 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)C1 ZINC000834289477 605666521 /nfs/dbraw/zinc/66/65/21/605666521.db2.gz MRFMWCBNDGMWKW-RYUDHWBXSA-N -1 0 362.342 -0.246 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)C1 ZINC000834289479 605666991 /nfs/dbraw/zinc/66/69/91/605666991.db2.gz MRFMWCBNDGMWKW-VXGBXAGGSA-N -1 0 362.342 -0.246 20 0 FBADRM O=C([O-])N1CCC2(C[C@H]2C(=O)N2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000834289859 605818436 /nfs/dbraw/zinc/81/84/36/605818436.db2.gz OQNOFEYXZBPWTR-JTQLQIEISA-N -1 0 350.375 -0.033 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)NCCN3CCNC(=O)C3)cc2C1 ZINC000834289861 605881142 /nfs/dbraw/zinc/88/11/42/605881142.db2.gz QHYICJMVFODJHU-UHFFFAOYSA-N -1 0 362.390 -0.329 20 0 FBADRM O=C([O-])N1CCC2(C[C@@H]2C(=O)N2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000834289863 605818742 /nfs/dbraw/zinc/81/87/42/605818742.db2.gz OQNOFEYXZBPWTR-SNVBAGLBSA-N -1 0 350.375 -0.033 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)N2CCC3(COC(=O)N3)CC2)CC1 ZINC000834290144 605399602 /nfs/dbraw/zinc/39/96/02/605399602.db2.gz PYJWMICBPHYPAD-UHFFFAOYSA-N -1 0 369.422 -0.044 20 0 FBADRM O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000834290145 605422017 /nfs/dbraw/zinc/42/20/17/605422017.db2.gz RLCBTWCLLMNXHJ-CYBMUJFWSA-N -1 0 361.354 -0.407 20 0 FBADRM O=C([O-])N1CC(OCCC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C1 ZINC000834290166 606082005 /nfs/dbraw/zinc/08/20/05/606082005.db2.gz RPGTZXKFGOPXKY-UHFFFAOYSA-N -1 0 363.374 -0.275 20 0 FBADRM O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000834290175 605547487 /nfs/dbraw/zinc/54/74/87/605547487.db2.gz QCHAQAVKBJPDOK-CHWSQXEVSA-N -1 0 358.354 -0.146 20 0 FBADRM O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000834290180 605547391 /nfs/dbraw/zinc/54/73/91/605547391.db2.gz QCHAQAVKBJPDOK-OLZOCXBDSA-N -1 0 358.354 -0.146 20 0 FBADRM O=C([O-])N1CCc2ncc(NC(=O)C(=O)N3CCCNC(=O)C3)cc2C1 ZINC000834290315 605931698 /nfs/dbraw/zinc/93/16/98/605931698.db2.gz TWFYHRITJVFPFQ-UHFFFAOYSA-N -1 0 361.358 -0.595 20 0 FBADRM O=C([O-])N1CCC(n2cccc2C(=O)NCCN2CCNC(=O)C2)CC1 ZINC000834290324 605861452 /nfs/dbraw/zinc/86/14/52/605861452.db2.gz UBTUJJUSNBBFSN-UHFFFAOYSA-N -1 0 363.418 -0.035 20 0 FBADRM O=C([O-])N1CC(NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)C1 ZINC000834290494 605941312 /nfs/dbraw/zinc/94/13/12/605941312.db2.gz USLJPSNDKNDYKI-UHFFFAOYSA-N -1 0 361.358 -0.960 20 0 FBADRM O=C([O-])N1CC(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 ZINC000834290497 605517952 /nfs/dbraw/zinc/51/79/52/605517952.db2.gz UZSGUDIQBIWFGK-UHFFFAOYSA-N -1 0 360.370 -0.515 20 0 FBADRM O=C([O-])N1CCC2(CCN(C(=O)NCCN3CCNC(=O)C3)C2)CC1 ZINC000834290500 605879784 /nfs/dbraw/zinc/87/97/84/605879784.db2.gz VCVUHKIPWWSMGA-UHFFFAOYSA-N -1 0 353.423 -0.406 20 0 FBADRM O=C([O-])N1CCN(CC(=O)N2CC(=O)Nc3c(F)cccc32)C(=O)C1 ZINC000834290547 606050643 /nfs/dbraw/zinc/05/06/43/606050643.db2.gz VSVLHNJHZRKWSH-UHFFFAOYSA-N -1 0 350.306 -0.067 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC000834290620 605664491 /nfs/dbraw/zinc/66/44/91/605664491.db2.gz UFERIHOTCMLCQX-NEPJUHHUSA-N -1 0 362.342 -0.246 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000834290622 605664317 /nfs/dbraw/zinc/66/43/17/605664317.db2.gz UFERIHOTCMLCQX-NWDGAFQWSA-N -1 0 362.342 -0.246 20 0 FBADRM O=C([O-])N1CCOC[C@H]1C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000834290623 605664313 /nfs/dbraw/zinc/66/43/13/605664313.db2.gz UFERIHOTCMLCQX-RYUDHWBXSA-N -1 0 362.342 -0.246 20 0 FBADRM O=C([O-])N1CCOC[C@@H]1C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC000834290624 605664532 /nfs/dbraw/zinc/66/45/32/605664532.db2.gz UFERIHOTCMLCQX-VXGBXAGGSA-N -1 0 362.342 -0.246 20 0 FBADRM O=C([O-])N1CCN(CCCNC(=O)c2cnc3c(c2)NC(=O)CO3)CC1 ZINC000834290672 605700019 /nfs/dbraw/zinc/70/00/19/605700019.db2.gz XJOWWFWKWNGECH-UHFFFAOYSA-N -1 0 363.374 -0.172 20 0 FBADRM O=C([O-])N1CCN(CCNC(=O)N2CCC3(COC(=O)N3)CC2)CC1 ZINC000834290676 605398896 /nfs/dbraw/zinc/39/88/96/605398896.db2.gz UQAQWIKWRRHNPM-UHFFFAOYSA-N -1 0 355.395 -0.434 20 0 FBADRM O=C([O-])N(CC1CC1)C1CCN(C(=O)NCCN2CCNC(=O)C2)CC1 ZINC000834290698 605880051 /nfs/dbraw/zinc/88/00/51/605880051.db2.gz XTUQQCVDUVZFNF-UHFFFAOYSA-N -1 0 367.450 -0.018 20 0 FBADRM O=C([O-])N1CCN(C(=O)CNC(=O)N2CCC3(COC(=O)N3)CC2)CC1 ZINC000834290703 605382047 /nfs/dbraw/zinc/38/20/47/605382047.db2.gz UUEJYWKQMVLBGC-UHFFFAOYSA-N -1 0 369.378 -0.907 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)Oc2ccc(C[C@H]3NC(=O)NC3=O)cc2)C1 ZINC000834291064 606042233 /nfs/dbraw/zinc/04/22/33/606042233.db2.gz WMGUVMRPNCVZIX-NEPJUHHUSA-N -1 0 363.326 -0.279 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)Oc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)C1 ZINC000834291065 606042025 /nfs/dbraw/zinc/04/20/25/606042025.db2.gz WMGUVMRPNCVZIX-NWDGAFQWSA-N -1 0 363.326 -0.279 20 0 FBADRM O=C([O-])N1CCO[C@H](C(=O)Oc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)C1 ZINC000834291066 606041881 /nfs/dbraw/zinc/04/18/81/606041881.db2.gz WMGUVMRPNCVZIX-RYUDHWBXSA-N -1 0 363.326 -0.279 20 0 FBADRM O=C([O-])N1CCO[C@@H](C(=O)Oc2ccc(C[C@H]3NC(=O)NC3=O)cc2)C1 ZINC000834291067 606042278 /nfs/dbraw/zinc/04/22/78/606042278.db2.gz WMGUVMRPNCVZIX-VXGBXAGGSA-N -1 0 363.326 -0.279 20 0 FBADRM CNc1ncnc2cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)ccc21 ZINC000834324614 661160312 /nfs/dbraw/zinc/16/03/12/661160312.db2.gz CUDBEPSVAYMHLV-UHFFFAOYSA-N -1 0 351.388 -0.133 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000834324641 661160272 /nfs/dbraw/zinc/16/02/72/661160272.db2.gz DNMOGCMCVBLDAS-NEPJUHHUSA-N -1 0 359.448 -0.250 20 0 FBADRM CC(C)(O)[C@H](Oc1ccccc1)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000834324646 661160298 /nfs/dbraw/zinc/16/02/98/661160298.db2.gz DSANTHVKHDDDJY-CYBMUJFWSA-N -1 0 358.416 -0.213 20 0 FBADRM CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000834324647 661160354 /nfs/dbraw/zinc/16/03/54/661160354.db2.gz DSANTHVKHDDDJY-ZDUSSCGKSA-N -1 0 358.416 -0.213 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnc(C2CCCC2)nc1N ZINC000834324743 661160657 /nfs/dbraw/zinc/16/06/57/661160657.db2.gz HQUJRYSOEHWGFL-UHFFFAOYSA-N -1 0 355.420 -0.088 20 0 FBADRM Cn1cc(-c2ncccc2C(=O)NCCC(=O)[N-]S(C)(=O)=O)cn1 ZINC000834324775 661160661 /nfs/dbraw/zinc/16/06/61/661160661.db2.gz IOXOAOUGOMXEEL-UHFFFAOYSA-N -1 0 351.388 -0.322 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(F)cc(N2CCOCC2)c1 ZINC000834324786 661160653 /nfs/dbraw/zinc/16/06/53/661160653.db2.gz JEXDPEGQIGGHEL-UHFFFAOYSA-N -1 0 373.406 -0.142 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnn(Cc2ccccc2)c1N ZINC000834324817 661160647 /nfs/dbraw/zinc/16/06/47/661160647.db2.gz KKDQTTIUJISXNJ-UHFFFAOYSA-N -1 0 365.415 -0.291 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C[C@@H](n1cccn1)C(F)(F)F ZINC000834324820 661160637 /nfs/dbraw/zinc/16/06/37/661160637.db2.gz KKWVCIPHZSPORB-MRVPVSSYSA-N -1 0 356.326 -0.041 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C[C@H](n1cccn1)C(F)(F)F ZINC000834324821 661160681 /nfs/dbraw/zinc/16/06/81/661160681.db2.gz KKWVCIPHZSPORB-QMMMGPOBSA-N -1 0 356.326 -0.041 20 0 FBADRM CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C1 ZINC000834324844 661160641 /nfs/dbraw/zinc/16/06/41/661160641.db2.gz LEWYQMPHQFJJDF-MGCOHNPYSA-N -1 0 363.436 -0.128 20 0 FBADRM C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)N(C)C(=O)OC(C)(C)C ZINC000834324863 661160667 /nfs/dbraw/zinc/16/06/67/661160667.db2.gz LYBVQICEFKLZCR-VIFPVBQESA-N -1 0 351.425 -0.176 20 0 FBADRM COc1cc(CCC(=O)NCCC(=O)[N-]S(C)(=O)=O)cc(OC)c1O ZINC000834324904 661160651 /nfs/dbraw/zinc/16/06/51/661160651.db2.gz NAAXMIFUBRIXAN-UHFFFAOYSA-N -1 0 374.415 -0.076 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CSC(c2ccccc2O)=N1 ZINC000834324924 661160629 /nfs/dbraw/zinc/16/06/29/661160629.db2.gz NTBKBUFDLZXMPG-JTQLQIEISA-N -1 0 371.440 -0.164 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CSC(c2ccccc2O)=N1 ZINC000834324925 661160660 /nfs/dbraw/zinc/16/06/60/661160660.db2.gz NTBKBUFDLZXMPG-SNVBAGLBSA-N -1 0 371.440 -0.164 20 0 FBADRM CCn1c2ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc2[nH]c1=O ZINC000834325006 661160631 /nfs/dbraw/zinc/16/06/31/661160631.db2.gz QQQJYEWURQYFKD-UHFFFAOYSA-N -1 0 354.388 -0.043 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc(Cn2ccnn2)c1 ZINC000834325037 661160639 /nfs/dbraw/zinc/16/06/39/661160639.db2.gz SEBQGTXNORZDSO-UHFFFAOYSA-N -1 0 351.388 -0.478 20 0 FBADRM CO[C@](C)(C(=O)NCCC(=O)[N-]S(C)(=O)=O)C(=O)OC(C)(C)C ZINC000834325051 661160656 /nfs/dbraw/zinc/16/06/56/661160656.db2.gz SSYPUWPZYVILEC-CYBMUJFWSA-N -1 0 352.409 -0.685 20 0 FBADRM CO[C@@](C)(C(=O)NCCC(=O)[N-]S(C)(=O)=O)C(=O)OC(C)(C)C ZINC000834325052 661160676 /nfs/dbraw/zinc/16/06/76/661160676.db2.gz SSYPUWPZYVILEC-ZDUSSCGKSA-N -1 0 352.409 -0.685 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000834325142 661160650 /nfs/dbraw/zinc/16/06/50/661160650.db2.gz XJLKROVIUCKIJZ-HNNXBMFYSA-N -1 0 353.400 -0.974 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000834325143 661160634 /nfs/dbraw/zinc/16/06/34/661160634.db2.gz XJLKROVIUCKIJZ-OAHLLOKOSA-N -1 0 353.400 -0.974 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC000834325178 661160642 /nfs/dbraw/zinc/16/06/42/661160642.db2.gz YOHZGJKMAHNRBM-ZIAGYGMSSA-N -1 0 356.400 -0.275 20 0 FBADRM CCCO[N-]C(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 ZINC000834347680 661161208 /nfs/dbraw/zinc/16/12/08/661161208.db2.gz SZPLPTIMEZLHEH-UHFFFAOYSA-N -1 0 351.359 -0.085 20 0 FBADRM C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])c1nnnn1C1CC1 ZINC000834368730 661161058 /nfs/dbraw/zinc/16/10/58/661161058.db2.gz JCOFKIKMFRCGKQ-SSDOTTSWSA-N -1 0 352.376 -0.148 20 0 FBADRM C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])c1nnnn1C1CC1 ZINC000834368731 661161147 /nfs/dbraw/zinc/16/11/47/661161147.db2.gz JCOFKIKMFRCGKQ-ZETCQYMHSA-N -1 0 352.376 -0.148 20 0 FBADRM CC1(C)OCC(CO)(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CO1 ZINC000834483801 661162033 /nfs/dbraw/zinc/16/20/33/661162033.db2.gz YZOYXECLBFPYIE-UHFFFAOYSA-N -1 0 350.331 -0.320 20 0 FBADRM CC1(C)OCC(CO)(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CO1 ZINC000834504499 661162474 /nfs/dbraw/zinc/16/24/74/661162474.db2.gz BZOWCLMQZBWDST-UHFFFAOYSA-N -1 0 360.388 -0.717 20 0 FBADRM NC(=O)[C@H](O)CNC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000834573413 661163357 /nfs/dbraw/zinc/16/33/57/661163357.db2.gz KIKOPKHKNJYBJE-MRVPVSSYSA-N -1 0 355.294 -0.476 20 0 FBADRM NC(=O)[C@@H](O)CNC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000834573414 661163336 /nfs/dbraw/zinc/16/33/36/661163336.db2.gz KIKOPKHKNJYBJE-QMMMGPOBSA-N -1 0 355.294 -0.476 20 0 FBADRM NC(=O)[C@H](O)CNC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC000834574180 661163543 /nfs/dbraw/zinc/16/35/43/661163543.db2.gz OSTPHLOXFXUFOY-MRVPVSSYSA-N -1 0 355.294 -0.476 20 0 FBADRM NC(=O)[C@@H](O)CNC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC000834574181 661163625 /nfs/dbraw/zinc/16/36/25/661163625.db2.gz OSTPHLOXFXUFOY-QMMMGPOBSA-N -1 0 355.294 -0.476 20 0 FBADRM CC(C)(O)CO[N-]C(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 ZINC000834621719 661163834 /nfs/dbraw/zinc/16/38/34/661163834.db2.gz IYLWGCFLDMGLHT-LBPRGKRZSA-N -1 0 353.375 -0.025 20 0 FBADRM Cn1nc(Br)c2c1ncn(CC(=O)[N-]OCC(C)(C)O)c2=O ZINC000834625276 661163837 /nfs/dbraw/zinc/16/38/37/661163837.db2.gz ZBOFCTSTFDQFIS-UHFFFAOYSA-N -1 0 374.195 -0.289 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)[N-]OCC(C)(C)O)cc1 ZINC000834628402 661163862 /nfs/dbraw/zinc/16/38/62/661163862.db2.gz JWPWAGCJAXRGNZ-UHFFFAOYSA-N -1 0 359.404 -0.258 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000835033239 661166563 /nfs/dbraw/zinc/16/65/63/661166563.db2.gz RIQXKSXGFLQAEI-UHFFFAOYSA-N -1 0 367.431 -0.008 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2nn(C)c3c2CCCC3)cc1C(N)=O ZINC000835034885 661166585 /nfs/dbraw/zinc/16/65/85/661166585.db2.gz CFPKSIPMIMJGLN-UHFFFAOYSA-N -1 0 365.415 -0.145 20 0 FBADRM CC(=O)c1cn(CC(=O)[N-]S(=O)(=O)N(C)Cc2ccccc2)nn1 ZINC000835042649 661166605 /nfs/dbraw/zinc/16/66/05/661166605.db2.gz JTUQRLKQRASDSJ-UHFFFAOYSA-N -1 0 351.388 -0.026 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cnn(C)c2Cl)CC1 ZINC000835096535 661166742 /nfs/dbraw/zinc/16/67/42/661166742.db2.gz APYKORNIIHDNLX-UHFFFAOYSA-N -1 0 364.811 -0.067 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cn(C)nc2Cl)CC1 ZINC000835096641 661166751 /nfs/dbraw/zinc/16/67/51/661166751.db2.gz CGYIGBVQLIPQKG-UHFFFAOYSA-N -1 0 364.811 -0.067 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cc(Cl)n(C)n2)CC1 ZINC000835097108 661166706 /nfs/dbraw/zinc/16/67/06/661166706.db2.gz GVBOMODCZXVZHV-UHFFFAOYSA-N -1 0 364.811 -0.067 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)N2CCCCC2)nnn1-c1cnn(C)c1 ZINC000835097755 661166738 /nfs/dbraw/zinc/16/67/38/661166738.db2.gz LOPPBXMKWHNHNN-UHFFFAOYSA-N -1 0 353.408 -0.230 20 0 FBADRM Cn1c2sc(C(=O)[N-]S(=O)(=O)N3CCCC3)cc2c(=O)n(C)c1=O ZINC000835099091 661166552 /nfs/dbraw/zinc/16/65/52/661166552.db2.gz UYEHHPCGYHMXLA-UHFFFAOYSA-N -1 0 372.428 -0.631 20 0 FBADRM COCCn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)CC(C)C)CC2=O)cn1 ZINC000835115226 661166560 /nfs/dbraw/zinc/16/65/60/661166560.db2.gz KEASGHSHGSAQKN-GFCCVEGCSA-N -1 0 372.447 -0.016 20 0 FBADRM COCCn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)C)CC2=O)cn1 ZINC000835115228 661166518 /nfs/dbraw/zinc/16/65/18/661166518.db2.gz KEASGHSHGSAQKN-LBPRGKRZSA-N -1 0 372.447 -0.016 20 0 FBADRM O=C(CS(=O)(=O)C1CC1)[N-]S(=O)(=O)N1CCc2ccccc2C1 ZINC000835123358 661166597 /nfs/dbraw/zinc/16/65/97/661166597.db2.gz JBNAFVCHNBXIIH-UHFFFAOYSA-N -1 0 358.441 -0.017 20 0 FBADRM CC(=O)c1cn(CC(=O)[N-]S(=O)(=O)N2CCc3sccc3C2)nn1 ZINC000835124771 661166700 /nfs/dbraw/zinc/16/67/00/661166700.db2.gz RXYINWMKDQLXJU-UHFFFAOYSA-N -1 0 369.428 -0.039 20 0 FBADRM CC(=O)c1cn(CC(=O)[N-]S(=O)(=O)N2CCc3ccccc3C2)nn1 ZINC000835124938 661166650 /nfs/dbraw/zinc/16/66/50/661166650.db2.gz SXRIHAKLXQEHEP-UHFFFAOYSA-N -1 0 363.399 -0.100 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000835141726 661166566 /nfs/dbraw/zinc/16/65/66/661166566.db2.gz LVRNUZJFCRLQPD-XQQFMLRXSA-N -1 0 370.431 -0.088 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000835141730 661166612 /nfs/dbraw/zinc/16/66/12/661166612.db2.gz LVRNUZJFCRLQPD-YNEHKIRRSA-N -1 0 370.431 -0.088 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O ZINC000835141894 661166616 /nfs/dbraw/zinc/16/66/16/661166616.db2.gz MXMUPOVQKRIGIY-UHFFFAOYSA-N -1 0 374.444 -0.387 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCC2 ZINC000835142250 661166498 /nfs/dbraw/zinc/16/64/98/661166498.db2.gz PMALWIFTJDSNQI-GFCCVEGCSA-N -1 0 356.404 -0.169 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCC2 ZINC000835142252 661166758 /nfs/dbraw/zinc/16/67/58/661166758.db2.gz PMALWIFTJDSNQI-LBPRGKRZSA-N -1 0 356.404 -0.169 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cnn2c1CCC2 ZINC000835142528 661166593 /nfs/dbraw/zinc/16/65/93/661166593.db2.gz QJVWBPLBTARPKD-GFCCVEGCSA-N -1 0 356.404 -0.169 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cnn2c1CCC2 ZINC000835142529 661166717 /nfs/dbraw/zinc/16/67/17/661166717.db2.gz QJVWBPLBTARPKD-LBPRGKRZSA-N -1 0 356.404 -0.169 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@]1(COC)CCOC1 ZINC000835142715 661166691 /nfs/dbraw/zinc/16/66/91/661166691.db2.gz SIRPHZBLMVBXTI-BXUZGUMPSA-N -1 0 364.420 -0.572 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@]1(COC)CCOC1 ZINC000835142722 661166485 /nfs/dbraw/zinc/16/64/85/661166485.db2.gz SIRPHZBLMVBXTI-FZMZJTMJSA-N -1 0 364.420 -0.572 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@]1(COC)CCOC1 ZINC000835142734 661166734 /nfs/dbraw/zinc/16/67/34/661166734.db2.gz SIRPHZBLMVBXTI-RISCZKNCSA-N -1 0 364.420 -0.572 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@]1(COC)CCOC1 ZINC000835142736 661166516 /nfs/dbraw/zinc/16/65/16/661166516.db2.gz SIRPHZBLMVBXTI-SMDDNHRTSA-N -1 0 364.420 -0.572 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cn(C)nc1COC ZINC000835142751 661166883 /nfs/dbraw/zinc/16/68/83/661166883.db2.gz SKMWESAKPWJDBB-GFCCVEGCSA-N -1 0 374.419 -0.431 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cn(C)nc1COC ZINC000835142753 661166984 /nfs/dbraw/zinc/16/69/84/661166984.db2.gz SKMWESAKPWJDBB-LBPRGKRZSA-N -1 0 374.419 -0.431 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCc1cnn(C)n1 ZINC000835143208 661166897 /nfs/dbraw/zinc/16/68/97/661166897.db2.gz WIZOJJOHSUBXJZ-LLVKDONJSA-N -1 0 359.408 -0.864 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCc1cnn(C)n1 ZINC000835143209 661166946 /nfs/dbraw/zinc/16/69/46/661166946.db2.gz WIZOJJOHSUBXJZ-NSHDSACASA-N -1 0 359.408 -0.864 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)Cc1cn(C)nc1C ZINC000835143309 661166948 /nfs/dbraw/zinc/16/69/48/661166948.db2.gz WQZUWVOGZYZZBD-GFCCVEGCSA-N -1 0 358.420 -0.340 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)Cc1cn(C)nc1C ZINC000835143318 661166915 /nfs/dbraw/zinc/16/69/15/661166915.db2.gz WQZUWVOGZYZZBD-LBPRGKRZSA-N -1 0 358.420 -0.340 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cn(CC2CC2)nn1 ZINC000835143488 661166973 /nfs/dbraw/zinc/16/69/73/661166973.db2.gz ZAGUCWKRDYKQSI-GFCCVEGCSA-N -1 0 371.419 -0.310 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cn(CC2CC2)nn1 ZINC000835143493 661166918 /nfs/dbraw/zinc/16/69/18/661166918.db2.gz ZAGUCWKRDYKQSI-LBPRGKRZSA-N -1 0 371.419 -0.310 20 0 FBADRM COCCn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)CC3CC3)CC2=O)cn1 ZINC000835157884 661166936 /nfs/dbraw/zinc/16/69/36/661166936.db2.gz AAJLLAKHGZRNSD-GFCCVEGCSA-N -1 0 370.431 -0.262 20 0 FBADRM COCCn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)CC3CC3)CC2=O)cn1 ZINC000835157885 661166908 /nfs/dbraw/zinc/16/69/08/661166908.db2.gz AAJLLAKHGZRNSD-LBPRGKRZSA-N -1 0 370.431 -0.262 20 0 FBADRM Cn1c2sc(C(=O)[N-]S(=O)(=O)CC3CC3)cc2c(=O)n(C)c1=O ZINC000835158265 660142255 /nfs/dbraw/zinc/14/22/55/660142255.db2.gz JNIUKZFTGRQXQD-UHFFFAOYSA-N -1 0 357.413 -0.232 20 0 FBADRM CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1 ZINC000835171922 661167259 /nfs/dbraw/zinc/16/72/59/661167259.db2.gz MFHKWJDPYZODLZ-LLVKDONJSA-N -1 0 358.420 -0.262 20 0 FBADRM CCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1 ZINC000835171923 661167155 /nfs/dbraw/zinc/16/71/55/661167155.db2.gz MFHKWJDPYZODLZ-NSHDSACASA-N -1 0 358.420 -0.262 20 0 FBADRM COc1cccc(-n2cc(C(=O)[N-]S(=O)(=O)N3CCOCC3)nn2)c1 ZINC000835184113 661167254 /nfs/dbraw/zinc/16/72/54/661167254.db2.gz DSKACBZRHYZACH-UHFFFAOYSA-N -1 0 367.387 -0.417 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cn(CCc2ccccc2)nn1 ZINC000835184446 661167199 /nfs/dbraw/zinc/16/71/99/661167199.db2.gz HGMLFLVXWOWVDP-UHFFFAOYSA-N -1 0 365.415 -0.172 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1 ZINC000835184579 661167193 /nfs/dbraw/zinc/16/71/93/661167193.db2.gz JOMBAWJFTGCRNY-LLVKDONJSA-N -1 0 373.435 -0.805 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1 ZINC000835184615 661167250 /nfs/dbraw/zinc/16/72/50/661167250.db2.gz JOMBAWJFTGCRNY-NSHDSACASA-N -1 0 373.435 -0.805 20 0 FBADRM Cc1nnnn1-c1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c(F)c1 ZINC000835185096 661167226 /nfs/dbraw/zinc/16/72/26/661167226.db2.gz PIPXAPSFXJBKTG-UHFFFAOYSA-N -1 0 370.366 -0.583 20 0 FBADRM Cn1ncc(Br)c1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000835185104 661167264 /nfs/dbraw/zinc/16/72/64/661167264.db2.gz PJVZHUGTHPAXEH-UHFFFAOYSA-N -1 0 353.198 -0.511 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)C1CN(C(=O)C2CCCCC2)C1 ZINC000835185606 661167251 /nfs/dbraw/zinc/16/72/51/661167251.db2.gz VOLRHMKGFYGCKH-UHFFFAOYSA-N -1 0 359.448 -0.282 20 0 FBADRM Cn1nc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cc1Br ZINC000835185644 661167256 /nfs/dbraw/zinc/16/72/56/661167256.db2.gz WFWOAEKZNOHEST-UHFFFAOYSA-N -1 0 353.198 -0.511 20 0 FBADRM Cn1c2sc(C(=O)[N-]S(=O)(=O)CCCF)cc2c(=O)n(C)c1=O ZINC000835195647 661167257 /nfs/dbraw/zinc/16/72/57/661167257.db2.gz MVAUDOIKZYFPMS-UHFFFAOYSA-N -1 0 363.392 -0.282 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2c3n(c(=O)n2C)CCCC3)cn1 ZINC000835206518 661167184 /nfs/dbraw/zinc/16/71/84/661167184.db2.gz WTHACPHHZBFCFI-UHFFFAOYSA-N -1 0 353.404 -0.142 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O ZINC000835218873 661167255 /nfs/dbraw/zinc/16/72/55/661167255.db2.gz AQDBXWGPRVMUIL-UHFFFAOYSA-N -1 0 374.444 -0.385 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C1CN(C(=O)C2CCCCC2)C1 ZINC000835219254 661167195 /nfs/dbraw/zinc/16/71/95/661167195.db2.gz QWOBCDCTLYRQAB-UHFFFAOYSA-N -1 0 361.464 -0.036 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cn(-c2cccc(OC)c2)nn1 ZINC000835220233 661167238 /nfs/dbraw/zinc/16/72/38/661167238.db2.gz YXLYTEYZEMFXQT-UHFFFAOYSA-N -1 0 369.403 -0.171 20 0 FBADRM CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000835292604 661167260 /nfs/dbraw/zinc/16/72/60/661167260.db2.gz ILYISTFPIDDDSK-SECBINFHSA-N -1 0 351.425 -0.047 20 0 FBADRM CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000835292607 661167249 /nfs/dbraw/zinc/16/72/49/661167249.db2.gz ILYISTFPIDDDSK-VIFPVBQESA-N -1 0 351.425 -0.047 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(-c2cccc(OC)c2)nn1 ZINC000835295958 661167233 /nfs/dbraw/zinc/16/72/33/661167233.db2.gz ORQFDMKXMWAYEY-SECBINFHSA-N -1 0 368.371 -0.103 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(-c2cccc(OC)c2)nn1 ZINC000835295959 661167269 /nfs/dbraw/zinc/16/72/69/661167269.db2.gz ORQFDMKXMWAYEY-VIFPVBQESA-N -1 0 368.371 -0.103 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(-c2cccnc2)nn1 ZINC000835314177 661167247 /nfs/dbraw/zinc/16/72/47/661167247.db2.gz LWUXLRLVDCEFDS-NXEZZACHSA-N -1 0 367.387 -0.081 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(-c2cccnc2)nn1 ZINC000835314179 661167149 /nfs/dbraw/zinc/16/71/49/661167149.db2.gz LWUXLRLVDCEFDS-UWVGGRQHSA-N -1 0 367.387 -0.081 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(-c2cccnc2)nn1 ZINC000835314181 661167267 /nfs/dbraw/zinc/16/72/67/661167267.db2.gz LWUXLRLVDCEFDS-VHSXEESVSA-N -1 0 367.387 -0.081 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(-c2cccnc2)nn1 ZINC000835314183 661167488 /nfs/dbraw/zinc/16/74/88/661167488.db2.gz LWUXLRLVDCEFDS-ZJUUUORDSA-N -1 0 367.387 -0.081 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000835315166 661167607 /nfs/dbraw/zinc/16/76/07/661167607.db2.gz PADOFFGKFQPRIQ-NXEZZACHSA-N -1 0 373.431 -0.220 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000835315177 661167417 /nfs/dbraw/zinc/16/74/17/661167417.db2.gz PADOFFGKFQPRIQ-UWVGGRQHSA-N -1 0 373.431 -0.220 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000835315180 661167437 /nfs/dbraw/zinc/16/74/37/661167437.db2.gz PADOFFGKFQPRIQ-VHSXEESVSA-N -1 0 373.431 -0.220 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000835315184 661167528 /nfs/dbraw/zinc/16/75/28/661167528.db2.gz PADOFFGKFQPRIQ-ZJUUUORDSA-N -1 0 373.431 -0.220 20 0 FBADRM Cn1c(=O)n2c(c1C(=O)[N-]S(=O)(=O)c1cnc3n1CCC3)CCCC2 ZINC000835332114 661167593 /nfs/dbraw/zinc/16/75/93/661167593.db2.gz RWTHKPFRZOFXNI-UHFFFAOYSA-N -1 0 365.415 -0.216 20 0 FBADRM COCCn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)C3CCC3)CC2=O)cn1 ZINC000835356099 661167616 /nfs/dbraw/zinc/16/76/16/661167616.db2.gz FTNMNQKIUBTJIH-LLVKDONJSA-N -1 0 370.431 -0.119 20 0 FBADRM COCCn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)C3CCC3)CC2=O)cn1 ZINC000835356101 661167533 /nfs/dbraw/zinc/16/75/33/661167533.db2.gz FTNMNQKIUBTJIH-NSHDSACASA-N -1 0 370.431 -0.119 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)OC)cc1 ZINC000835377905 661167588 /nfs/dbraw/zinc/16/75/88/661167588.db2.gz JCVPOAPYQGYDFJ-UHFFFAOYSA-N -1 0 358.376 -0.435 20 0 FBADRM COC(=O)c1ccc(NS(=O)(=O)[N-]C(=O)CN2CCOCC2=O)cc1 ZINC000835379182 661167449 /nfs/dbraw/zinc/16/74/49/661167449.db2.gz BLASUYJAXXHTTM-UHFFFAOYSA-N -1 0 371.371 -0.895 20 0 FBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)OC)cc1 ZINC000835379967 661167618 /nfs/dbraw/zinc/16/76/18/661167618.db2.gz KSJRZOXHRHMCGI-UHFFFAOYSA-N -1 0 359.360 -0.008 20 0 FBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)OC)cc1 ZINC000835380304 661167522 /nfs/dbraw/zinc/16/75/22/661167522.db2.gz ODKBULZQWOPEPG-QMMMGPOBSA-N -1 0 359.360 -0.009 20 0 FBADRM COC(=O)c1ccc(NS(=O)(=O)[N-]C(=O)C2CN(C(C)=O)C2)cc1 ZINC000835380397 661167516 /nfs/dbraw/zinc/16/75/16/661167516.db2.gz QEBSYOXSLIHRJR-UHFFFAOYSA-N -1 0 355.372 -0.276 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)OC)cc1 ZINC000835380562 661167411 /nfs/dbraw/zinc/16/74/11/661167411.db2.gz SCBIFFWQWUQTLY-UHFFFAOYSA-N -1 0 373.387 -0.649 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000835389790 661167499 /nfs/dbraw/zinc/16/74/99/661167499.db2.gz VTRKQJLDDZYKTD-UHFFFAOYSA-N -1 0 355.376 -0.480 20 0 FBADRM COCCn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)C3(C)CC3)CC2=O)cn1 ZINC000835434606 661167777 /nfs/dbraw/zinc/16/77/77/661167777.db2.gz MLDSNCDUTNQBFZ-LLVKDONJSA-N -1 0 370.431 -0.119 20 0 FBADRM COCCn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)C3(C)CC3)CC2=O)cn1 ZINC000835434614 661167673 /nfs/dbraw/zinc/16/76/73/661167673.db2.gz MLDSNCDUTNQBFZ-NSHDSACASA-N -1 0 370.431 -0.119 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cn(-c2cccnc2)nn1 ZINC000835451012 661167677 /nfs/dbraw/zinc/16/76/77/661167677.db2.gz FPLUKAAHZWOKEX-UHFFFAOYSA-N -1 0 367.387 -0.079 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000835452415 661167802 /nfs/dbraw/zinc/16/78/02/661167802.db2.gz WKPZGZWXRSWRHH-UHFFFAOYSA-N -1 0 373.431 -0.218 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H](C)Oc2ccccn2)CC1 ZINC000835463637 661167667 /nfs/dbraw/zinc/16/76/67/661167667.db2.gz JFQXPFLQYHEKGG-LLVKDONJSA-N -1 0 356.404 -0.626 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2ccccn2)CC1 ZINC000835463642 661167806 /nfs/dbraw/zinc/16/78/06/661167806.db2.gz JFQXPFLQYHEKGG-NSHDSACASA-N -1 0 356.404 -0.626 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C/C2(C)CCOCC2)CC1 ZINC000835463937 661167791 /nfs/dbraw/zinc/16/77/91/661167791.db2.gz KKAWXQAUYZOPEY-ONEGZZNKSA-N -1 0 359.448 -0.116 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C/c2cccnc2C)CC1 ZINC000835464246 661167683 /nfs/dbraw/zinc/16/76/83/661167683.db2.gz OBZFKNLHAGFGAX-AATRIKPKSA-N -1 0 352.416 -0.072 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C\c2cccnc2C)CC1 ZINC000835464248 661167698 /nfs/dbraw/zinc/16/76/98/661167698.db2.gz OBZFKNLHAGFGAX-WAYWQWQTSA-N -1 0 352.416 -0.072 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C\c2ccncc2C)CC1 ZINC000835464263 661167708 /nfs/dbraw/zinc/16/77/08/661167708.db2.gz OLKVALLYCAVTBI-ARJAWSKDSA-N -1 0 352.416 -0.072 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C/c2ccncc2C)CC1 ZINC000835464264 661167721 /nfs/dbraw/zinc/16/77/21/661167721.db2.gz OLKVALLYCAVTBI-ONEGZZNKSA-N -1 0 352.416 -0.072 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cnn3ccc(C)cc23)CC1 ZINC000835464852 661167658 /nfs/dbraw/zinc/16/76/58/661167658.db2.gz UBGYWDZNZFEPDR-UHFFFAOYSA-N -1 0 365.415 -0.219 20 0 FBADRM CO[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000835464940 661168080 /nfs/dbraw/zinc/16/80/80/661168080.db2.gz UQVRBFPLLPGJKH-HNNXBMFYSA-N -1 0 369.443 -0.231 20 0 FBADRM CO[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000835464944 661168070 /nfs/dbraw/zinc/16/80/70/661168070.db2.gz UQVRBFPLLPGJKH-OAHLLOKOSA-N -1 0 369.443 -0.231 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2Cc3cccc(C)c3O2)CC1 ZINC000835465203 661168056 /nfs/dbraw/zinc/16/80/56/661168056.db2.gz XEAMIADACZSGAV-AWEZNQCLSA-N -1 0 367.427 -0.176 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2Cc3cccc(C)c3O2)CC1 ZINC000835465216 661168087 /nfs/dbraw/zinc/16/80/87/661168087.db2.gz XEAMIADACZSGAV-CQSZACIVSA-N -1 0 367.427 -0.176 20 0 FBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)CCOCc2ccccc2)c1=O ZINC000835505273 661168055 /nfs/dbraw/zinc/16/80/55/661168055.db2.gz ABWZZVPEDWEJHH-UHFFFAOYSA-N -1 0 368.415 -0.365 20 0 FBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)CCOCc1ccccc1 ZINC000835506360 661168057 /nfs/dbraw/zinc/16/80/57/661168057.db2.gz OVTCJSJJZHVFDF-UHFFFAOYSA-N -1 0 356.400 -0.492 20 0 FBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)CCOCc2ccccc2)c1=O ZINC000835506389 661168050 /nfs/dbraw/zinc/16/80/50/661168050.db2.gz HYGWCBQWIBVIMZ-UHFFFAOYSA-N -1 0 354.388 -0.755 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)CCOCc1ccccc1)S(C)(=O)=O ZINC000835506746 661168072 /nfs/dbraw/zinc/16/80/72/661168072.db2.gz IRFMRJVARPJTQD-UHFFFAOYSA-N -1 0 364.445 -0.459 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)CCOCc1ccccc1 ZINC000835509357 661168043 /nfs/dbraw/zinc/16/80/43/661168043.db2.gz XNDKGQKOWOQYLB-UHFFFAOYSA-N -1 0 358.416 -0.246 20 0 FBADRM Cc1cc(C)c(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)s1 ZINC000835511042 661168061 /nfs/dbraw/zinc/16/80/61/661168061.db2.gz DYXTYWBHQCFCJX-UHFFFAOYSA-N -1 0 357.413 -0.119 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2sc(C)cc2C)C(=O)C1=O ZINC000835511463 661168064 /nfs/dbraw/zinc/16/80/64/661168064.db2.gz NMICEUJTPKHMPU-UHFFFAOYSA-N -1 0 373.456 -0.139 20 0 FBADRM Cc1cc(C)c(S(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)s1 ZINC000835511700 661168082 /nfs/dbraw/zinc/16/80/82/661168082.db2.gz SMMGYXYMVFSXOZ-UHFFFAOYSA-N -1 0 357.413 -0.270 20 0 FBADRM O=C(CN1CCOCC1)[N-]S(=O)(=O)Cc1cccc2c1OCCO2 ZINC000835529530 661168060 /nfs/dbraw/zinc/16/80/60/661168060.db2.gz DGKQKGWXGDEZGX-UHFFFAOYSA-N -1 0 356.400 -0.264 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1cccc2c1OCCO2 ZINC000835529811 661168075 /nfs/dbraw/zinc/16/80/75/661168075.db2.gz DSUIZXPRPOSTDM-UHFFFAOYSA-N -1 0 372.399 -0.491 20 0 FBADRM CCC1(S(=O)(=O)[N-]C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC000835529958 661168059 /nfs/dbraw/zinc/16/80/59/661168059.db2.gz BQNMFQGMRAEJMH-UHFFFAOYSA-N -1 0 359.429 -0.127 20 0 FBADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)Cc1cccc2c1OCCO2 ZINC000835529976 661168065 /nfs/dbraw/zinc/16/80/65/661168065.db2.gz GKXLDDAWMRWRFK-UHFFFAOYSA-N -1 0 370.383 -0.737 20 0 FBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)Cc2cccc3c2OCCO3)C1 ZINC000835531703 661168038 /nfs/dbraw/zinc/16/80/38/661168038.db2.gz QQXNUHMWWCHGAJ-UHFFFAOYSA-N -1 0 354.384 -0.118 20 0 FBADRM CCC1(S(=O)(=O)[N-]C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000835532328 661168077 /nfs/dbraw/zinc/16/80/77/661168077.db2.gz OJSRDBZBLDCDPS-UHFFFAOYSA-N -1 0 366.399 -0.366 20 0 FBADRM CCC1(S(=O)(=O)[N-]C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000835532605 661168063 /nfs/dbraw/zinc/16/80/63/661168063.db2.gz VWQCWMJOAFNOJS-UHFFFAOYSA-N -1 0 366.399 -0.366 20 0 FBADRM CCC1(S(=O)(=O)[N-]C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)CC1 ZINC000835535635 661168046 /nfs/dbraw/zinc/16/80/46/661168046.db2.gz PXNICSGHLHLUTA-UHFFFAOYSA-N -1 0 368.415 -0.422 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)[C@H]2CC3CCC2CC3)C(=O)C1=O ZINC000835560405 661168054 /nfs/dbraw/zinc/16/80/54/661168054.db2.gz OFSDMAHYHBGFBS-BPCQOVAHSA-N -1 0 371.459 -0.298 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)[C@@H]2CC3CCC2CC3)C(=O)C1=O ZINC000835560408 661168052 /nfs/dbraw/zinc/16/80/52/661168052.db2.gz OFSDMAHYHBGFBS-WXRRBKDZSA-N -1 0 371.459 -0.298 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)[C@H]2CC3CCC2CC3)c(=O)n(C)c1=O ZINC000835561755 661168068 /nfs/dbraw/zinc/16/80/68/661168068.db2.gz FBYMKVZUZOIXQL-CBINBANVSA-N -1 0 355.416 -0.278 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CC3CCC2CC3)c(=O)n(C)c1=O ZINC000835561757 661168053 /nfs/dbraw/zinc/16/80/53/661168053.db2.gz FBYMKVZUZOIXQL-RTYFJBAXSA-N -1 0 355.416 -0.278 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2nc(C)c(C)s2)C(=O)C1=O ZINC000835584229 661168451 /nfs/dbraw/zinc/16/84/51/661168451.db2.gz AVELHEOPMPAEIB-UHFFFAOYSA-N -1 0 374.444 -0.744 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)sc1C ZINC000835584512 661168462 /nfs/dbraw/zinc/16/84/62/661168462.db2.gz JERSAHYRYAUSTN-UHFFFAOYSA-N -1 0 358.401 -0.724 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2S(C)(=O)=O)sc1C ZINC000835585957 661168331 /nfs/dbraw/zinc/16/83/31/661168331.db2.gz WVOXTQFFRARMPO-SECBINFHSA-N -1 0 367.474 -0.011 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2S(C)(=O)=O)sc1C ZINC000835585966 661168426 /nfs/dbraw/zinc/16/84/26/661168426.db2.gz WVOXTQFFRARMPO-VIFPVBQESA-N -1 0 367.474 -0.011 20 0 FBADRM CCc1csc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)n1 ZINC000835590991 661168447 /nfs/dbraw/zinc/16/84/47/661168447.db2.gz BZIXAEVBXVTYGK-UHFFFAOYSA-N -1 0 358.401 -0.778 20 0 FBADRM CCc1csc(S(=O)(=O)[N-]C(=O)CN2CCN(CC)C(=O)C2=O)n1 ZINC000835594529 661168469 /nfs/dbraw/zinc/16/84/69/661168469.db2.gz DPQZFUIEMUWRPT-UHFFFAOYSA-N -1 0 374.444 -0.799 20 0 FBADRM CCc1csc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2S(C)(=O)=O)n1 ZINC000835596600 661168337 /nfs/dbraw/zinc/16/83/37/661168337.db2.gz XLWUQXOBRIRPRZ-SECBINFHSA-N -1 0 367.474 -0.066 20 0 FBADRM CCc1csc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2S(C)(=O)=O)n1 ZINC000835596604 661168460 /nfs/dbraw/zinc/16/84/60/661168460.db2.gz XLWUQXOBRIRPRZ-VIFPVBQESA-N -1 0 367.474 -0.066 20 0 FBADRM CO[C@@](C)(CS(=O)(=O)[N-]C(=O)Cn1ncn(C)c1=O)c1ccccc1 ZINC000835647846 661168586 /nfs/dbraw/zinc/16/85/86/661168586.db2.gz BNLJPPGYLCDDNT-HNNXBMFYSA-N -1 0 368.415 -0.410 20 0 FBADRM CO[C@](C)(CS(=O)(=O)[N-]C(=O)Cn1ncn(C)c1=O)c1ccccc1 ZINC000835647847 661168718 /nfs/dbraw/zinc/16/87/18/661168718.db2.gz BNLJPPGYLCDDNT-OAHLLOKOSA-N -1 0 368.415 -0.410 20 0 FBADRM CO[C@@](C)(CS(=O)(=O)[N-]C(=O)CN1CCOCC1=O)c1ccccc1 ZINC000835654045 661168620 /nfs/dbraw/zinc/16/86/20/661168620.db2.gz QYAJLGQTAVCFDH-INIZCTEOSA-N -1 0 370.427 -0.147 20 0 FBADRM CO[C@](C)(CS(=O)(=O)[N-]C(=O)CN1CCOCC1=O)c1ccccc1 ZINC000835654058 661168593 /nfs/dbraw/zinc/16/85/93/661168593.db2.gz QYAJLGQTAVCFDH-MRXNPFEDSA-N -1 0 370.427 -0.147 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000835746009 661168563 /nfs/dbraw/zinc/16/85/63/661168563.db2.gz YZQIKUOQVUBCPI-RFGFWPKPSA-N -1 0 371.459 -0.252 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000835746020 661168758 /nfs/dbraw/zinc/16/87/58/661168758.db2.gz YZQIKUOQVUBCPI-RQJABVFESA-N -1 0 371.459 -0.252 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000835746023 661168716 /nfs/dbraw/zinc/16/87/16/661168716.db2.gz YZQIKUOQVUBCPI-XJFOESAGSA-N -1 0 371.459 -0.252 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000835746025 661168598 /nfs/dbraw/zinc/16/85/98/661168598.db2.gz YZQIKUOQVUBCPI-ZOBORPQBSA-N -1 0 371.459 -0.252 20 0 FBADRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)c(=O)n(C)c1=O ZINC000835746751 661168747 /nfs/dbraw/zinc/16/87/47/661168747.db2.gz JGXYMCVVSWLDRI-AJKHXVQNSA-N -1 0 367.427 -0.268 20 0 FBADRM Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)c(=O)n(C)c1=O ZINC000835746752 661168704 /nfs/dbraw/zinc/16/87/04/661168704.db2.gz JGXYMCVVSWLDRI-OHHFHDNTSA-N -1 0 367.427 -0.268 20 0 FBADRM Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)c(=O)n(C)c1=O ZINC000835746754 661168583 /nfs/dbraw/zinc/16/85/83/661168583.db2.gz JGXYMCVVSWLDRI-PTGZWXFHSA-N -1 0 367.427 -0.268 20 0 FBADRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)c(=O)n(C)c1=O ZINC000835746756 661168751 /nfs/dbraw/zinc/16/87/51/661168751.db2.gz JGXYMCVVSWLDRI-TZHJYYBLSA-N -1 0 367.427 -0.268 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]3CC[C@H]1C3)c2=O ZINC000835747459 661168693 /nfs/dbraw/zinc/16/86/93/661168693.db2.gz OJYNPZFMMXCKIJ-JFGNBEQYSA-N -1 0 365.415 -0.235 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]3CC[C@H]1C3)c2=O ZINC000835747460 661168728 /nfs/dbraw/zinc/16/87/28/661168728.db2.gz OJYNPZFMMXCKIJ-SCVCMEIPSA-N -1 0 365.415 -0.235 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C(=O)C1=O ZINC000835747639 661168649 /nfs/dbraw/zinc/16/86/49/661168649.db2.gz UPKHJXKNYBRNPE-GRYCIOLGSA-N -1 0 357.432 -0.688 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C(=O)C1=O ZINC000835747641 661168713 /nfs/dbraw/zinc/16/87/13/661168713.db2.gz UPKHJXKNYBRNPE-WOPDTQHZSA-N -1 0 357.432 -0.688 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2cnn(C(C)C)c2)CC1=O ZINC000835825153 661168625 /nfs/dbraw/zinc/16/86/25/661168625.db2.gz OBDHEYHISYYWKR-LLVKDONJSA-N -1 0 358.420 -0.236 20 0 FBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2cnn(C(C)C)c2)CC1=O ZINC000835825154 661168697 /nfs/dbraw/zinc/16/86/97/661168697.db2.gz OBDHEYHISYYWKR-NSHDSACASA-N -1 0 358.420 -0.236 20 0 FBADRM CCCc1ccccc1S(=O)(=O)[N-]C(=O)c1cn(CC(N)=O)nn1 ZINC000835829877 661168629 /nfs/dbraw/zinc/16/86/29/661168629.db2.gz SKQDVTQMJAGWNT-UHFFFAOYSA-N -1 0 351.388 -0.165 20 0 FBADRM CC(C)Oc1cncc(S(=O)(=O)[N-]C(=O)CCn2ncn(C)c2=O)c1 ZINC000835847726 661168646 /nfs/dbraw/zinc/16/86/46/661168646.db2.gz FWDODFOCDHWHDJ-UHFFFAOYSA-N -1 0 369.403 -0.341 20 0 FBADRM CC(C)Oc1cncc(S(=O)(=O)[N-]C(=O)Cn2ncn(C)c2=O)c1 ZINC000835850627 661168745 /nfs/dbraw/zinc/16/87/45/661168745.db2.gz DHRALYCMOJAVIR-UHFFFAOYSA-N -1 0 355.376 -0.731 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cncc(OC(C)C)c1 ZINC000835851388 661168686 /nfs/dbraw/zinc/16/86/86/661168686.db2.gz MOESUNVQSUISDT-UHFFFAOYSA-N -1 0 359.404 -0.222 20 0 FBADRM CC(C)Oc1cncc(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)c1 ZINC000835852321 661168935 /nfs/dbraw/zinc/16/89/35/661168935.db2.gz XURNETVTPYWHSC-UHFFFAOYSA-N -1 0 357.388 -0.468 20 0 FBADRM CC(C)Oc1cncc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)[nH]c2=O)c1 ZINC000835854084 661168924 /nfs/dbraw/zinc/16/89/24/661168924.db2.gz PPAHXXKOEQRVLQ-UHFFFAOYSA-N -1 0 368.371 -0.213 20 0 FBADRM CC(C)Oc1cncc(S(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O)c1 ZINC000835854373 661168941 /nfs/dbraw/zinc/16/89/41/661168941.db2.gz SBJAMAWWTKLWCK-UHFFFAOYSA-N -1 0 365.433 -0.435 20 0 FBADRM CC(C)(C)OCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000835919113 661168948 /nfs/dbraw/zinc/16/89/48/661168948.db2.gz KJQQGNPWLVJFQN-JTQLQIEISA-N -1 0 356.466 -0.329 20 0 FBADRM CC(C)(C)OCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000835919114 661168937 /nfs/dbraw/zinc/16/89/37/661168937.db2.gz KJQQGNPWLVJFQN-SNVBAGLBSA-N -1 0 356.466 -0.329 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)CCOC(C)(C)C ZINC000835919334 661168972 /nfs/dbraw/zinc/16/89/72/661168972.db2.gz SUVPNYNPVQRTSU-UHFFFAOYSA-N -1 0 358.482 -0.081 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)CCOC(C)(C)C)CC1=O ZINC000835922191 661169001 /nfs/dbraw/zinc/16/90/01/661169001.db2.gz QZFLLRVKQFTUOO-LLVKDONJSA-N -1 0 350.437 -0.258 20 0 FBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)CCOC(C)(C)C)CC1=O ZINC000835922192 661169025 /nfs/dbraw/zinc/16/90/25/661169025.db2.gz QZFLLRVKQFTUOO-NSHDSACASA-N -1 0 350.437 -0.258 20 0 FBADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)CCC2CCCCC2)c1=O ZINC000835937320 661168988 /nfs/dbraw/zinc/16/89/88/661168988.db2.gz LYKHQTFRHLFUIP-UHFFFAOYSA-N -1 0 357.432 -0.037 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)CCC2CCCC2)C(=O)C1=O ZINC000835946428 661169312 /nfs/dbraw/zinc/16/93/12/661169312.db2.gz TWTXMSRAODXZFX-UHFFFAOYSA-N -1 0 359.448 -0.297 20 0 FBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000836026242 661169331 /nfs/dbraw/zinc/16/93/31/661169331.db2.gz BRHXMJCAAJBRJL-UHFFFAOYSA-N -1 0 365.371 -0.190 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000836026677 661169285 /nfs/dbraw/zinc/16/92/85/661169285.db2.gz DEQAOOXRAYDVDR-CYBMUJFWSA-N -1 0 366.403 -0.812 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000836026688 661169329 /nfs/dbraw/zinc/16/93/29/661169329.db2.gz DEQAOOXRAYDVDR-ZDUSSCGKSA-N -1 0 366.403 -0.812 20 0 FBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000836026781 661169326 /nfs/dbraw/zinc/16/93/26/661169326.db2.gz DWTWPJBYDGNOSR-UHFFFAOYSA-N -1 0 368.375 -0.397 20 0 FBADRM COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000836028883 661169300 /nfs/dbraw/zinc/16/93/00/661169300.db2.gz SAWFHYVTBKYIEP-SECBINFHSA-N -1 0 353.360 -0.334 20 0 FBADRM COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000836028889 661169299 /nfs/dbraw/zinc/16/92/99/661169299.db2.gz SAWFHYVTBKYIEP-VIFPVBQESA-N -1 0 353.360 -0.334 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)c1ccc(F)cn1 ZINC000836042405 661169325 /nfs/dbraw/zinc/16/93/25/661169325.db2.gz XZJOKKLBBDJLAY-UHFFFAOYSA-N -1 0 353.397 -0.303 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cn1 ZINC000836042590 661169268 /nfs/dbraw/zinc/16/92/68/661169268.db2.gz ACDNZGBAWSYWIB-JTQLQIEISA-N -1 0 365.408 -0.160 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cn1 ZINC000836042591 661169322 /nfs/dbraw/zinc/16/93/22/661169322.db2.gz ACDNZGBAWSYWIB-SNVBAGLBSA-N -1 0 365.408 -0.160 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc(F)cn1)[C@H]1COCCN1CC(F)F ZINC000836044734 661169347 /nfs/dbraw/zinc/16/93/47/661169347.db2.gz WZPIRHPVULCARN-SECBINFHSA-N -1 0 353.322 -0.009 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc(F)cn1)[C@@H]1COCCN1CC(F)F ZINC000836044735 661169303 /nfs/dbraw/zinc/16/93/03/661169303.db2.gz WZPIRHPVULCARN-VIFPVBQESA-N -1 0 353.322 -0.009 20 0 FBADRM CC(C)c1nc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)cn1C ZINC000836137283 661169680 /nfs/dbraw/zinc/16/96/80/661169680.db2.gz CEHOKPZYCDYMJL-UHFFFAOYSA-N -1 0 369.403 -0.940 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)CC1=O ZINC000836137362 661169577 /nfs/dbraw/zinc/16/95/77/661169577.db2.gz MQJYEWCRLZLQMX-LLVKDONJSA-N -1 0 372.447 -0.157 20 0 FBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)CC1=O ZINC000836137363 661169709 /nfs/dbraw/zinc/16/97/09/661169709.db2.gz MQJYEWCRLZLQMX-NSHDSACASA-N -1 0 372.447 -0.157 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C1CN(C(=O)C2CCCCC2)C1 ZINC000836786407 661172179 /nfs/dbraw/zinc/17/21/79/661172179.db2.gz UGQCVJWSEDCBKH-UHFFFAOYSA-N -1 0 359.448 -0.393 20 0 FBADRM CC(C)[C@@H](CO)O[N-]C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000836894536 661172505 /nfs/dbraw/zinc/17/25/05/661172505.db2.gz DUSDJWZDCCCOJF-LLVKDONJSA-N -1 0 356.404 -0.094 20 0 FBADRM CC(C)[C@H](CO)O[N-]C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000836894537 661172424 /nfs/dbraw/zinc/17/24/24/661172424.db2.gz DUSDJWZDCCCOJF-NSHDSACASA-N -1 0 356.404 -0.094 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)[N-]O[C@H](CO)C(C)C ZINC000836895088 661172657 /nfs/dbraw/zinc/17/26/57/661172657.db2.gz JMOQFJAPKINJPE-CMPLNLGQSA-N -1 0 362.452 -0.232 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)[N-]O[C@@H](CO)C(C)C ZINC000836895089 661172784 /nfs/dbraw/zinc/17/27/84/661172784.db2.gz JMOQFJAPKINJPE-JQWIXIFHSA-N -1 0 362.452 -0.232 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)[N-]O[C@@H](CO)C(C)C ZINC000836895090 661172755 /nfs/dbraw/zinc/17/27/55/661172755.db2.gz JMOQFJAPKINJPE-PWSUYJOCSA-N -1 0 362.452 -0.232 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)[N-]O[C@H](CO)C(C)C ZINC000836895091 661172666 /nfs/dbraw/zinc/17/26/66/661172666.db2.gz JMOQFJAPKINJPE-ZYHUDNBSSA-N -1 0 362.452 -0.232 20 0 FBADRM CC(C)[C@@H](CO)O[N-]C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000836899616 660157884 /nfs/dbraw/zinc/15/78/84/660157884.db2.gz ORMSBAKGAROFCN-ABAIWWIYSA-N -1 0 357.407 -0.333 20 0 FBADRM CC(C)[C@@H](CO)O[N-]C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000836899618 660157903 /nfs/dbraw/zinc/15/79/03/660157903.db2.gz ORMSBAKGAROFCN-IAQYHMDHSA-N -1 0 357.407 -0.333 20 0 FBADRM CC(C)[C@H](CO)O[N-]C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000836899620 660157898 /nfs/dbraw/zinc/15/78/98/660157898.db2.gz ORMSBAKGAROFCN-NHYWBVRUSA-N -1 0 357.407 -0.333 20 0 FBADRM CC(C)[C@H](CO)O[N-]C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000836899623 660157870 /nfs/dbraw/zinc/15/78/70/660157870.db2.gz ORMSBAKGAROFCN-XHDPSFHLSA-N -1 0 357.407 -0.333 20 0 FBADRM COC(=O)NCCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000837088803 661173105 /nfs/dbraw/zinc/17/31/05/661173105.db2.gz TUBAAXNDCGCJFO-UHFFFAOYSA-N -1 0 351.331 -0.285 20 0 FBADRM CS(=O)(=O)C1CN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000837149317 661173575 /nfs/dbraw/zinc/17/35/75/661173575.db2.gz XYXIQQYVJLNJBO-UHFFFAOYSA-N -1 0 353.425 -0.059 20 0 FBADRM NC(=O)C[C@H]1COCCN1C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000837172137 661173536 /nfs/dbraw/zinc/17/35/36/661173536.db2.gz FRCAPKHILBJBOH-JTQLQIEISA-N -1 0 362.411 -0.212 20 0 FBADRM NC(=O)C[C@@H]1COCCN1C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000837172141 661173600 /nfs/dbraw/zinc/17/36/00/661173600.db2.gz FRCAPKHILBJBOH-SNVBAGLBSA-N -1 0 362.411 -0.212 20 0 FBADRM CC1(C)CN(S(=O)(=O)N2CCC3(CC2)OCCO3)[C@@H](C(=O)[O-])CO1 ZINC000837290288 661174071 /nfs/dbraw/zinc/17/40/71/661174071.db2.gz ACOJWLPGYQBPBX-LLVKDONJSA-N -1 0 364.420 -0.366 20 0 FBADRM CC1(C)CN(S(=O)(=O)N2CCC3(CC2)OCCO3)[C@H](C(=O)[O-])CO1 ZINC000837290301 661174167 /nfs/dbraw/zinc/17/41/67/661174167.db2.gz ACOJWLPGYQBPBX-NSHDSACASA-N -1 0 364.420 -0.366 20 0 FBADRM Cc1nc(S(=O)(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cn1C ZINC000837291737 661174238 /nfs/dbraw/zinc/17/42/38/661174238.db2.gz QAWDOFWSDUSAHV-VIFPVBQESA-N -1 0 362.408 -0.015 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000837291776 661174185 /nfs/dbraw/zinc/17/41/85/661174185.db2.gz QYGKTYQYEGMVDI-BDAKNGLRSA-N -1 0 368.408 -0.307 20 0 FBADRM COC(=O)[C@@H](C)CS(=O)(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000837291781 661174172 /nfs/dbraw/zinc/17/41/72/661174172.db2.gz QYGKTYQYEGMVDI-IUCAKERBSA-N -1 0 368.408 -0.307 20 0 FBADRM COCCN(C)S(=O)(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000837291785 661174260 /nfs/dbraw/zinc/17/42/60/661174260.db2.gz RDNLIJJQCQBPRD-VIFPVBQESA-N -1 0 355.413 -0.623 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000837292023 661174141 /nfs/dbraw/zinc/17/41/41/661174141.db2.gz TYHPTTYSJKDIET-VIFPVBQESA-N -1 0 353.397 -0.869 20 0 FBADRM Cc1c(S(=O)(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cnn1C ZINC000837292122 661174226 /nfs/dbraw/zinc/17/42/26/661174226.db2.gz UDNCUHYYBBNTSB-VIFPVBQESA-N -1 0 362.408 -0.015 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000837292486 661174401 /nfs/dbraw/zinc/17/44/01/661174401.db2.gz ZNFPVRMSIAYHGV-VIFPVBQESA-N -1 0 362.408 -0.015 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000837292493 661174333 /nfs/dbraw/zinc/17/43/33/661174333.db2.gz ZWGLMCOZCXUZKI-VIFPVBQESA-N -1 0 362.408 -0.015 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](F)C(=O)[O-])cc1C ZINC000837292617 661174330 /nfs/dbraw/zinc/17/43/30/661174330.db2.gz AHCVURLYRQQMKK-SECBINFHSA-N -1 0 354.381 -0.396 20 0 FBADRM CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](F)C(=O)[O-] ZINC000837294513 661174385 /nfs/dbraw/zinc/17/43/85/661174385.db2.gz LHFFGFZDRPNATL-MRVPVSSYSA-N -1 0 354.381 -0.314 20 0 FBADRM O=C([O-])[C@H](F)CNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000837294537 661174425 /nfs/dbraw/zinc/17/44/25/661174425.db2.gz LJTBCQDZAJASFM-SECBINFHSA-N -1 0 366.392 -0.172 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1F)C(=O)[O-] ZINC000837294543 661174468 /nfs/dbraw/zinc/17/44/68/661174468.db2.gz FXXXGWOBKCKVAV-SECBINFHSA-N -1 0 363.319 -0.093 20 0 FBADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)NC[C@@H](F)C(=O)[O-])cn1C ZINC000837294575 661174417 /nfs/dbraw/zinc/17/44/17/661174417.db2.gz MAMGKBQFSUAFEJ-MRVPVSSYSA-N -1 0 350.324 -0.528 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](F)C(=O)[O-] ZINC000837294589 661174351 /nfs/dbraw/zinc/17/43/51/661174351.db2.gz MLMUVLCQLONHPI-MRVPVSSYSA-N -1 0 354.381 -0.362 20 0 FBADRM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NC[C@@H](F)C(=O)[O-])c1 ZINC000837295532 661174389 /nfs/dbraw/zinc/17/43/89/661174389.db2.gz AHSZCSCLRMTMKM-SECBINFHSA-N -1 0 363.319 -0.039 20 0 FBADRM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NC[C@@H](F)C(=O)[O-])c1 ZINC000837295589 661174334 /nfs/dbraw/zinc/17/43/34/661174334.db2.gz BABUJQHOBFPULS-SNVBAGLBSA-N -1 0 363.319 -0.039 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](F)C(=O)[O-])cc1 ZINC000837296047 661174381 /nfs/dbraw/zinc/17/43/81/661174381.db2.gz JAZFDXKENDGHAM-SNVBAGLBSA-N -1 0 354.381 -0.362 20 0 FBADRM O=C([O-])[C@H](F)CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000837296135 661174413 /nfs/dbraw/zinc/17/44/13/661174413.db2.gz YGPXAHCDYJRRIU-SNVBAGLBSA-N -1 0 354.381 -0.693 20 0 FBADRM O=C([O-])[C@H](F)CNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000837296529 661174442 /nfs/dbraw/zinc/17/44/42/661174442.db2.gz PGHJOXFXLVLOBA-LLVKDONJSA-N -1 0 366.392 -0.172 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](F)C(=O)[O-])c1 ZINC000837296675 661174461 /nfs/dbraw/zinc/17/44/61/661174461.db2.gz QXNSWJRYFLFZSR-SNVBAGLBSA-N -1 0 354.381 -0.362 20 0 FBADRM O=C([O-])[C@H](F)CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000837297057 661174336 /nfs/dbraw/zinc/17/43/36/661174336.db2.gz XWWXWPZPYHFAIB-LLVKDONJSA-N -1 0 366.392 -0.172 20 0 FBADRM O=C(COC(=O)[C@H]1CNC(=O)N1)C1([N-]C(=O)C(F)(F)F)CCCC1 ZINC000837515801 661175246 /nfs/dbraw/zinc/17/52/46/661175246.db2.gz WDZWYGBVGSHUIY-SSDOTTSWSA-N -1 0 351.281 -0.229 20 0 FBADRM O=C(COC(=O)[C@@H]1CNC(=O)N1)C1([N-]C(=O)C(F)(F)F)CCCC1 ZINC000837515804 661175217 /nfs/dbraw/zinc/17/52/17/661175217.db2.gz WDZWYGBVGSHUIY-ZETCQYMHSA-N -1 0 351.281 -0.229 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)OCCN2C(=O)N[C@H](C)C2=O)c(C)o1 ZINC000837563681 661175519 /nfs/dbraw/zinc/17/55/19/661175519.db2.gz BBKDVZKOKSAYSN-SSDOTTSWSA-N -1 0 359.360 -0.407 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)OCCN2C(=O)N[C@@H](C)C2=O)c(C)o1 ZINC000837563682 661175476 /nfs/dbraw/zinc/17/54/76/661175476.db2.gz BBKDVZKOKSAYSN-ZETCQYMHSA-N -1 0 359.360 -0.407 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)OCCN2C(=O)N[C@H](C)C2=O)ccc1F ZINC000837566270 661175525 /nfs/dbraw/zinc/17/55/25/661175525.db2.gz KVUIASRAGJNDJS-MRVPVSSYSA-N -1 0 373.362 -0.169 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)OCCN2C(=O)N[C@@H](C)C2=O)ccc1F ZINC000837566271 661175374 /nfs/dbraw/zinc/17/53/74/661175374.db2.gz KVUIASRAGJNDJS-QMMMGPOBSA-N -1 0 373.362 -0.169 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)OCc2cc(=O)[nH]c(C3CC3)n2)c1 ZINC000837570371 661175411 /nfs/dbraw/zinc/17/54/11/661175411.db2.gz SIHNAZUXWTUBOU-UHFFFAOYSA-N -1 0 367.387 -0.185 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)O[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000837573058 661175513 /nfs/dbraw/zinc/17/55/13/661175513.db2.gz QLXJJCRZQKFHGY-FRRDWIJNSA-N -1 0 362.448 -0.067 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)O[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000837573061 661175391 /nfs/dbraw/zinc/17/53/91/661175391.db2.gz QLXJJCRZQKFHGY-JHJVBQTASA-N -1 0 362.448 -0.067 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)O[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000837573064 661175449 /nfs/dbraw/zinc/17/54/49/661175449.db2.gz QLXJJCRZQKFHGY-RWMBFGLXSA-N -1 0 362.448 -0.067 20 0 FBADRM CCOCCS(=O)(=O)NCC(=O)O[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000837573067 661175498 /nfs/dbraw/zinc/17/54/98/661175498.db2.gz QLXJJCRZQKFHGY-YNEHKIRRSA-N -1 0 362.448 -0.067 20 0 FBADRM COC(=O)[C@@H](F)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000838061572 660543608 /nfs/dbraw/zinc/54/36/08/660543608.db2.gz FTESCATXJAKKEI-VIFPVBQESA-N -1 0 354.306 -0.130 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)CC1 ZINC000838789926 660548991 /nfs/dbraw/zinc/54/89/91/660548991.db2.gz CRYSMTNHJTXUAF-MVWJERBFSA-N -1 0 358.416 -0.152 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)CC1 ZINC000838789935 660549004 /nfs/dbraw/zinc/54/90/04/660549004.db2.gz CRYSMTNHJTXUAF-WCQGTBRESA-N -1 0 358.416 -0.152 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)Cc2ccc(OC)cn2)CC1 ZINC000838790888 660548965 /nfs/dbraw/zinc/54/89/65/660548965.db2.gz KVFZYTMZXISCMS-UHFFFAOYSA-N -1 0 371.415 -0.121 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000838795205 660547435 /nfs/dbraw/zinc/54/74/35/660547435.db2.gz DCHHTXKLIIFACV-IRCOFANPSA-N -1 0 358.416 -0.010 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000838795206 660547446 /nfs/dbraw/zinc/54/74/46/660547446.db2.gz DCHHTXKLIIFACV-QCNOEVLYSA-N -1 0 358.416 -0.010 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000838795207 660547591 /nfs/dbraw/zinc/54/75/91/660547591.db2.gz DCHHTXKLIIFACV-USZNOCQGSA-N -1 0 358.416 -0.010 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000838795208 660547429 /nfs/dbraw/zinc/54/74/29/660547429.db2.gz DCHHTXKLIIFACV-WHOHXGKFSA-N -1 0 358.416 -0.010 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C ZINC000838795242 660547595 /nfs/dbraw/zinc/54/75/95/660547595.db2.gz ARDRDRDKCKOJFB-QMMMGPOBSA-N -1 0 368.433 -0.085 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](C)Cc1cnn(C)c1 ZINC000838796812 660547917 /nfs/dbraw/zinc/54/79/17/660547917.db2.gz KZRGLFCFAXEKMD-AAEUAGOBSA-N -1 0 372.447 -0.013 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](C)Cc1cnn(C)c1 ZINC000838796891 660547880 /nfs/dbraw/zinc/54/78/80/660547880.db2.gz KZRGLFCFAXEKMD-DGCLKSJQSA-N -1 0 372.447 -0.013 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](C)Cc1cnn(C)c1 ZINC000838796893 660547862 /nfs/dbraw/zinc/54/78/62/660547862.db2.gz KZRGLFCFAXEKMD-WCQYABFASA-N -1 0 372.447 -0.013 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](C)Cc1cnn(C)c1 ZINC000838796895 660547928 /nfs/dbraw/zinc/54/79/28/660547928.db2.gz KZRGLFCFAXEKMD-YPMHNXCESA-N -1 0 372.447 -0.013 20 0 FBADRM CCN1C(=O)C[C@H](C(=O)[N-]S(=O)(=O)CC(=O)OC)[C@H]1c1cccnc1 ZINC000838797773 660547913 /nfs/dbraw/zinc/54/79/13/660547913.db2.gz QEWIMKDNRJPREF-SMDDNHRTSA-N -1 0 369.399 -0.390 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000838797831 660547827 /nfs/dbraw/zinc/54/78/27/660547827.db2.gz QYIAOSKGMYDTJW-GFCCVEGCSA-N -1 0 354.384 -0.090 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cn(CCc2ccccc2)nn1 ZINC000838798347 660547806 /nfs/dbraw/zinc/54/78/06/660547806.db2.gz SCXMQEKYTCXQMF-UHFFFAOYSA-N -1 0 352.372 -0.247 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](C)c1cncnc1 ZINC000838798773 660547866 /nfs/dbraw/zinc/54/78/66/660547866.db2.gz XZYHDMRLEJELRG-CMPLNLGQSA-N -1 0 356.404 -0.031 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](C)c1cncnc1 ZINC000838798783 660547842 /nfs/dbraw/zinc/54/78/42/660547842.db2.gz XZYHDMRLEJELRG-JQWIXIFHSA-N -1 0 356.404 -0.031 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](C)c1cncnc1 ZINC000838798784 660547858 /nfs/dbraw/zinc/54/78/58/660547858.db2.gz XZYHDMRLEJELRG-PWSUYJOCSA-N -1 0 356.404 -0.031 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](C)c1cncnc1 ZINC000838798785 660547920 /nfs/dbraw/zinc/54/79/20/660547920.db2.gz XZYHDMRLEJELRG-ZYHUDNBSSA-N -1 0 356.404 -0.031 20 0 FBADRM COCCOc1cc(OC)ccc1C(=O)[N-]S(=O)(=O)CC(=O)OC ZINC000838799626 660547814 /nfs/dbraw/zinc/54/78/14/660547814.db2.gz BTFUCZFUWZDBRZ-UHFFFAOYSA-N -1 0 361.372 -0.047 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000838799762 660547890 /nfs/dbraw/zinc/54/78/90/660547890.db2.gz FQMSZXINPYKZNA-SECBINFHSA-N -1 0 362.404 -0.138 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000838799763 660547828 /nfs/dbraw/zinc/54/78/28/660547828.db2.gz FQMSZXINPYKZNA-VIFPVBQESA-N -1 0 362.404 -0.138 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)C[C@H](CNC(=O)OC(C)(C)C)OC ZINC000838799779 660547854 /nfs/dbraw/zinc/54/78/54/660547854.db2.gz FWDTUOMMZPQXJQ-SECBINFHSA-N -1 0 368.408 -0.465 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)C[C@@H](CNC(=O)OC(C)(C)C)OC ZINC000838799783 660547835 /nfs/dbraw/zinc/54/78/35/660547835.db2.gz FWDTUOMMZPQXJQ-VIFPVBQESA-N -1 0 368.408 -0.465 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)CCc1ccccc1 ZINC000838799898 660547871 /nfs/dbraw/zinc/54/78/71/660547871.db2.gz IESFDULBXMBIBM-LLVKDONJSA-N -1 0 356.400 -0.257 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)COC1CN(C(=O)OC(C)(C)C)C1 ZINC000838800161 660547825 /nfs/dbraw/zinc/54/78/25/660547825.db2.gz RAPBJQJVCLXHBL-UHFFFAOYSA-N -1 0 366.392 -0.759 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)Cc1cccc(N2CCCC2=O)c1 ZINC000838800173 660547875 /nfs/dbraw/zinc/54/78/75/660547875.db2.gz RLZTYFFSFOHGSI-UHFFFAOYSA-N -1 0 354.384 -0.025 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000838800188 660547821 /nfs/dbraw/zinc/54/78/21/660547821.db2.gz SFZGBYMROWYRFI-UHFFFAOYSA-N -1 0 368.367 -0.318 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CN(C)C(=O)OCc1ccccc1 ZINC000838800329 660547855 /nfs/dbraw/zinc/54/78/55/660547855.db2.gz YFEUZOSICLPVMP-UHFFFAOYSA-N -1 0 358.372 -0.126 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C ZINC000838800393 660547894 /nfs/dbraw/zinc/54/78/94/660547894.db2.gz ARDRDRDKCKOJFB-MRVPVSSYSA-N -1 0 368.433 -0.085 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000838800458 660547845 /nfs/dbraw/zinc/54/78/45/660547845.db2.gz FATZNXMQZMASBK-JTQLQIEISA-N -1 0 364.445 -0.303 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000838800459 660548257 /nfs/dbraw/zinc/54/82/57/660548257.db2.gz FATZNXMQZMASBK-SNVBAGLBSA-N -1 0 364.445 -0.303 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CCC(=O)N1CCOc2ccccc21 ZINC000838800489 660548213 /nfs/dbraw/zinc/54/82/13/660548213.db2.gz GEFXQYOPTXCCQF-UHFFFAOYSA-N -1 0 370.383 -0.189 20 0 FBADRM COCCN(CC(=O)[N-]S(=O)(=O)CC(=O)OC)C(=O)OC(C)(C)C ZINC000838800551 660548180 /nfs/dbraw/zinc/54/81/80/660548180.db2.gz HUASCLHTJRACAP-UHFFFAOYSA-N -1 0 368.408 -0.511 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CCN1C(=O)CCc2ccccc21 ZINC000838800566 660548268 /nfs/dbraw/zinc/54/82/68/660548268.db2.gz IDFRZUXWTKCMOJ-UHFFFAOYSA-N -1 0 354.384 -0.025 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CC(=O)OC ZINC000838800674 660548171 /nfs/dbraw/zinc/54/81/71/660548171.db2.gz JMKJERZZNRBBHB-JTQLQIEISA-N -1 0 370.449 -0.800 20 0 FBADRM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CC(=O)OC ZINC000838800675 660548247 /nfs/dbraw/zinc/54/82/47/660548247.db2.gz JMKJERZZNRBBHB-SNVBAGLBSA-N -1 0 370.449 -0.800 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CN(CCc1ccccc1)C(C)=O ZINC000838800769 660548203 /nfs/dbraw/zinc/54/82/03/660548203.db2.gz ARPDRZHBPAIKOY-UHFFFAOYSA-N -1 0 356.400 -0.303 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000838800847 660548193 /nfs/dbraw/zinc/54/81/93/660548193.db2.gz MILSJDMERVNWBM-SECBINFHSA-N -1 0 353.360 -0.480 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H](C)n1nnc(-c2ccccc2)n1 ZINC000838800848 660548234 /nfs/dbraw/zinc/54/82/34/660548234.db2.gz MILSJDMERVNWBM-VIFPVBQESA-N -1 0 353.360 -0.480 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C ZINC000838801201 660548174 /nfs/dbraw/zinc/54/81/74/660548174.db2.gz QWJCEAQCJLVRDB-MRVPVSSYSA-N -1 0 355.372 -0.304 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C ZINC000838801204 660548250 /nfs/dbraw/zinc/54/82/50/660548250.db2.gz QWJCEAQCJLVRDB-QMMMGPOBSA-N -1 0 355.372 -0.304 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC000838801305 660548197 /nfs/dbraw/zinc/54/81/97/660548197.db2.gz RRPSCJJJKQEADG-MRVPVSSYSA-N -1 0 352.434 -0.447 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000838801308 660548206 /nfs/dbraw/zinc/54/82/06/660548206.db2.gz RRPSCJJJKQEADG-QMMMGPOBSA-N -1 0 352.434 -0.447 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000838801391 660548209 /nfs/dbraw/zinc/54/82/09/660548209.db2.gz JRTAJRCNOUTXSX-GHMZBOCLSA-N -1 0 371.415 -0.072 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000838801394 660548242 /nfs/dbraw/zinc/54/82/42/660548242.db2.gz JRTAJRCNOUTXSX-PHIMTYICSA-N -1 0 371.415 -0.072 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000838801395 660548173 /nfs/dbraw/zinc/54/81/73/660548173.db2.gz JRTAJRCNOUTXSX-QWRGUYRKSA-N -1 0 371.415 -0.072 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)C(C)(C)N1C(=O)c2ccccc2C1=O ZINC000838801472 660548262 /nfs/dbraw/zinc/54/82/62/660548262.db2.gz LVPVAOLFJHFSDA-UHFFFAOYSA-N -1 0 368.367 -0.320 20 0 FBADRM CCCCC(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)CC(=O)OC ZINC000838801507 660548182 /nfs/dbraw/zinc/54/81/82/660548182.db2.gz SQDSMJZTNDZBMH-SECBINFHSA-N -1 0 352.434 -0.303 20 0 FBADRM CCCCC(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)CC(=O)OC ZINC000838801508 660548260 /nfs/dbraw/zinc/54/82/60/660548260.db2.gz SQDSMJZTNDZBMH-VIFPVBQESA-N -1 0 352.434 -0.303 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CSCN1C(=O)CC(C)(C)C ZINC000838801604 660548178 /nfs/dbraw/zinc/54/81/78/660548178.db2.gz SSPNLAWJLBNDSI-SECBINFHSA-N -1 0 366.461 -0.057 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C ZINC000838801608 660548240 /nfs/dbraw/zinc/54/82/40/660548240.db2.gz SSPNLAWJLBNDSI-VIFPVBQESA-N -1 0 366.461 -0.057 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CCN1c2ccccc2O[C@@H](C)C1=O ZINC000838801716 660548245 /nfs/dbraw/zinc/54/82/45/660548245.db2.gz BLJNGIMXAJEPCV-JTQLQIEISA-N -1 0 370.383 -0.190 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CCN1c2ccccc2O[C@H](C)C1=O ZINC000838801721 660548230 /nfs/dbraw/zinc/54/82/30/660548230.db2.gz BLJNGIMXAJEPCV-SNVBAGLBSA-N -1 0 370.383 -0.190 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000838801795 660548254 /nfs/dbraw/zinc/54/82/54/660548254.db2.gz CUXAXHQGZUQZCP-LLVKDONJSA-N -1 0 354.384 -0.033 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000838801798 660548251 /nfs/dbraw/zinc/54/82/51/660548251.db2.gz CUXAXHQGZUQZCP-NSHDSACASA-N -1 0 354.384 -0.033 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@@H](C(C)=O)C1 ZINC000838801814 660548238 /nfs/dbraw/zinc/54/82/38/660548238.db2.gz UQNBBIZQKRHOQU-CYBMUJFWSA-N -1 0 367.383 -0.171 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@H](C(C)=O)C1 ZINC000838801824 660548220 /nfs/dbraw/zinc/54/82/20/660548220.db2.gz UQNBBIZQKRHOQU-ZDUSSCGKSA-N -1 0 367.383 -0.171 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000838801828 660548267 /nfs/dbraw/zinc/54/82/67/660548267.db2.gz URNLWZAWXCYJPK-LLVKDONJSA-N -1 0 363.436 -0.317 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000838801834 660548183 /nfs/dbraw/zinc/54/81/83/660548183.db2.gz URNLWZAWXCYJPK-NSHDSACASA-N -1 0 363.436 -0.317 20 0 FBADRM CCc1ccc(C(=O)[N-]S(=O)(=O)CC(=O)OC)cc1S(C)(=O)=O ZINC000838802211 660548223 /nfs/dbraw/zinc/54/82/23/660548223.db2.gz QBIYRFHAOUOPHP-UHFFFAOYSA-N -1 0 363.413 -0.115 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CN1C(=O)c2ccc(C)cc2C1=O ZINC000838802458 660548217 /nfs/dbraw/zinc/54/82/17/660548217.db2.gz GIFFAHZHELDIEV-UHFFFAOYSA-N -1 0 354.340 -0.790 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CN1c2ccccc2OCCC1=O ZINC000838802463 660548176 /nfs/dbraw/zinc/54/81/76/660548176.db2.gz HOAZGIVIDBFYFW-UHFFFAOYSA-N -1 0 356.356 -0.579 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000838802590 660548227 /nfs/dbraw/zinc/54/82/27/660548227.db2.gz XBCMHVIABYBWNU-SECBINFHSA-N -1 0 358.347 -0.202 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000838802596 660548270 /nfs/dbraw/zinc/54/82/70/660548270.db2.gz XBCMHVIABYBWNU-VIFPVBQESA-N -1 0 358.347 -0.202 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000838802598 660548232 /nfs/dbraw/zinc/54/82/32/660548232.db2.gz HKVAKACCLOPDBB-UHFFFAOYSA-N -1 0 367.383 -0.216 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)COc1cccc(N2CCCC2=O)c1 ZINC000838802853 660548185 /nfs/dbraw/zinc/54/81/85/660548185.db2.gz JDSYXUUTBCUZCB-UHFFFAOYSA-N -1 0 370.383 -0.189 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)Cn1cnc2sc(C)c(C)c2c1=O ZINC000838802890 660548580 /nfs/dbraw/zinc/54/85/80/660548580.db2.gz KBTCBGXCHIDINE-UHFFFAOYSA-N -1 0 373.412 -0.306 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000838803004 660548623 /nfs/dbraw/zinc/54/86/23/660548623.db2.gz VVABQNHCMFPFSU-AWEZNQCLSA-N -1 0 374.390 -0.182 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000838803011 660548535 /nfs/dbraw/zinc/54/85/35/660548535.db2.gz VVABQNHCMFPFSU-CQSZACIVSA-N -1 0 374.390 -0.182 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H](c1ccccc1F)N1CCOCC1 ZINC000838803072 660548553 /nfs/dbraw/zinc/54/85/53/660548553.db2.gz WQKWMMCCEYQDPE-AWEZNQCLSA-N -1 0 374.390 -0.182 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000838803075 660548541 /nfs/dbraw/zinc/54/85/41/660548541.db2.gz WQKWMMCCEYQDPE-CQSZACIVSA-N -1 0 374.390 -0.182 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000838803078 660548555 /nfs/dbraw/zinc/54/85/55/660548555.db2.gz WQSZDULXXAEYEJ-UHFFFAOYSA-N -1 0 360.363 -0.105 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CCCNC(=O)c1ccc(OC)cc1 ZINC000838803197 660548626 /nfs/dbraw/zinc/54/86/26/660548626.db2.gz JHRUFSPDAOFXJR-UHFFFAOYSA-N -1 0 372.399 -0.176 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 ZINC000838803230 660548531 /nfs/dbraw/zinc/54/85/31/660548531.db2.gz JPWJUMNIIPSXGG-CYBMUJFWSA-N -1 0 368.411 -0.037 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1 ZINC000838803237 660548527 /nfs/dbraw/zinc/54/85/27/660548527.db2.gz JPWJUMNIIPSXGG-ZDUSSCGKSA-N -1 0 368.411 -0.037 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000838803251 660548629 /nfs/dbraw/zinc/54/86/29/660548629.db2.gz KIDLZSYLNWBSDN-SECBINFHSA-N -1 0 358.347 -0.202 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000838803252 660548587 /nfs/dbraw/zinc/54/85/87/660548587.db2.gz KIDLZSYLNWBSDN-VIFPVBQESA-N -1 0 358.347 -0.202 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CCn1c2ccccc2n(C)c1=O ZINC000838803299 660548612 /nfs/dbraw/zinc/54/86/12/660548612.db2.gz LSQMUDXKWYAHRB-UHFFFAOYSA-N -1 0 355.372 -0.651 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000838803442 660548545 /nfs/dbraw/zinc/54/85/45/660548545.db2.gz MPXFOROMCAPYHR-UHFFFAOYSA-N -1 0 371.339 -0.085 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CN1c2ccccc2O[C@H](C)C1=O ZINC000838803702 660548624 /nfs/dbraw/zinc/54/86/24/660548624.db2.gz MVMPHJFBLUMLDI-SECBINFHSA-N -1 0 356.356 -0.581 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000838803703 660548540 /nfs/dbraw/zinc/54/85/40/660548540.db2.gz MVMPHJFBLUMLDI-VIFPVBQESA-N -1 0 356.356 -0.581 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000838804038 660548633 /nfs/dbraw/zinc/54/86/33/660548633.db2.gz RSYHYOXQUVRKHQ-JTQLQIEISA-N -1 0 358.372 -0.080 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000838804041 660548573 /nfs/dbraw/zinc/54/85/73/660548573.db2.gz RSYHYOXQUVRKHQ-SNVBAGLBSA-N -1 0 358.372 -0.080 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000838804062 660548543 /nfs/dbraw/zinc/54/85/43/660548543.db2.gz SSOBFIMHLGFXCC-JTQLQIEISA-N -1 0 370.383 -0.333 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000838804063 660548617 /nfs/dbraw/zinc/54/86/17/660548617.db2.gz SSOBFIMHLGFXCC-SNVBAGLBSA-N -1 0 370.383 -0.333 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000838804070 660548594 /nfs/dbraw/zinc/54/85/94/660548594.db2.gz UADIBGLSFFZINF-GFCCVEGCSA-N -1 0 354.384 -0.346 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000838804071 660548556 /nfs/dbraw/zinc/54/85/56/660548556.db2.gz UADIBGLSFFZINF-LBPRGKRZSA-N -1 0 354.384 -0.346 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CCn1cnc2c(C)cccc2c1=O ZINC000838804369 660548574 /nfs/dbraw/zinc/54/85/74/660548574.db2.gz TXUKPBYDMOJPKG-UHFFFAOYSA-N -1 0 367.383 -0.286 20 0 FBADRM CCn1c2ccccc2n(CC(=O)[N-]S(=O)(=O)CC(=O)OC)c1=O ZINC000838804386 660548529 /nfs/dbraw/zinc/54/85/29/660548529.db2.gz UJFVYMHQIFHATJ-UHFFFAOYSA-N -1 0 355.372 -0.558 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CCCn1c2ccccc2oc1=O ZINC000838804749 660548598 /nfs/dbraw/zinc/54/85/98/660548598.db2.gz ZDSRIANLSGOHNT-UHFFFAOYSA-N -1 0 356.356 -0.006 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1nnn(-c2ccc(OC)cc2)c1C ZINC000838805710 660548526 /nfs/dbraw/zinc/54/85/26/660548526.db2.gz AFULIFVMPYZPOZ-UHFFFAOYSA-N -1 0 368.371 -0.183 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H](NC(=O)c1ccccn1)C(C)C ZINC000838805712 660548635 /nfs/dbraw/zinc/54/86/35/660548635.db2.gz AIWOTIFJZFQGAZ-GFCCVEGCSA-N -1 0 357.388 -0.545 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](NC(=O)c1ccccn1)C(C)C ZINC000838805713 660548538 /nfs/dbraw/zinc/54/85/38/660548538.db2.gz AIWOTIFJZFQGAZ-LBPRGKRZSA-N -1 0 357.388 -0.545 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CCCNC(=O)c1ccc(F)cc1 ZINC000838806146 660548591 /nfs/dbraw/zinc/54/85/91/660548591.db2.gz FYVCJJFVQHCGFD-UHFFFAOYSA-N -1 0 360.363 -0.045 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000838806347 660548558 /nfs/dbraw/zinc/54/85/58/660548558.db2.gz HQWXWLFFBYIHEF-JTQLQIEISA-N -1 0 370.383 -0.333 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000838806351 660548584 /nfs/dbraw/zinc/54/85/84/660548584.db2.gz HQWXWLFFBYIHEF-SNVBAGLBSA-N -1 0 370.383 -0.333 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000838807459 660548983 /nfs/dbraw/zinc/54/89/83/660548983.db2.gz NLFZQCHYWWNDFV-LLVKDONJSA-N -1 0 361.420 -0.467 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000838807460 660548912 /nfs/dbraw/zinc/54/89/12/660548912.db2.gz NLFZQCHYWWNDFV-NSHDSACASA-N -1 0 361.420 -0.467 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000838807502 660548976 /nfs/dbraw/zinc/54/89/76/660548976.db2.gz PEEGKHNKHAOYLN-JTQLQIEISA-N -1 0 358.372 -0.107 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000838807503 660548922 /nfs/dbraw/zinc/54/89/22/660548922.db2.gz PEEGKHNKHAOYLN-SNVBAGLBSA-N -1 0 358.372 -0.107 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000838807743 660548979 /nfs/dbraw/zinc/54/89/79/660548979.db2.gz QYIAOSKGMYDTJW-LBPRGKRZSA-N -1 0 354.384 -0.090 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CCn1cc(Br)cn1 ZINC000838807756 660548909 /nfs/dbraw/zinc/54/89/09/660548909.db2.gz RFUDRCHNWGBLSZ-UHFFFAOYSA-N -1 0 354.182 -0.345 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000838807783 660548884 /nfs/dbraw/zinc/54/88/84/660548884.db2.gz SOOMPXSJXYLPPJ-LLVKDONJSA-N -1 0 374.440 -0.099 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000838807784 660548886 /nfs/dbraw/zinc/54/88/86/660548886.db2.gz SOOMPXSJXYLPPJ-NSHDSACASA-N -1 0 374.440 -0.099 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 ZINC000838807936 660548981 /nfs/dbraw/zinc/54/89/81/660548981.db2.gz VMIXWOSOHRKDBG-CYBMUJFWSA-N -1 0 368.411 -0.161 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 ZINC000838807937 660548915 /nfs/dbraw/zinc/54/89/15/660548915.db2.gz VMIXWOSOHRKDBG-ZDUSSCGKSA-N -1 0 368.411 -0.161 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)C[C@@H](NC(N)=O)c1cccc(C)c1 ZINC000838808007 660548919 /nfs/dbraw/zinc/54/89/19/660548919.db2.gz YQBUREIKPGYTFO-LLVKDONJSA-N -1 0 357.388 -0.286 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)C[C@H](NC(N)=O)c1cccc(C)c1 ZINC000838808008 660548970 /nfs/dbraw/zinc/54/89/70/660548970.db2.gz YQBUREIKPGYTFO-NSHDSACASA-N -1 0 357.388 -0.286 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)C[C@@H](NC(N)=O)c1ccccc1C ZINC000838808134 660548999 /nfs/dbraw/zinc/54/89/99/660548999.db2.gz ZTIVUJDKLGFMLU-LLVKDONJSA-N -1 0 357.388 -0.286 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)C[C@H](NC(N)=O)c1ccccc1C ZINC000838808135 660548892 /nfs/dbraw/zinc/54/88/92/660548892.db2.gz ZTIVUJDKLGFMLU-NSHDSACASA-N -1 0 357.388 -0.286 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)Cc1nnn(-c2ccccc2)c1C ZINC000838808140 660548955 /nfs/dbraw/zinc/54/89/55/660548955.db2.gz ZYRKLBOPALALGF-UHFFFAOYSA-N -1 0 352.372 -0.263 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000838812052 660548950 /nfs/dbraw/zinc/54/89/50/660548950.db2.gz FDXLRXTWSPMLCC-JTQLQIEISA-N -1 0 362.429 -0.076 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000838812054 660548888 /nfs/dbraw/zinc/54/88/88/660548888.db2.gz FDXLRXTWSPMLCC-SNVBAGLBSA-N -1 0 362.429 -0.076 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cc(Br)n(C)n1 ZINC000838840243 660549281 /nfs/dbraw/zinc/54/92/81/660549281.db2.gz HRYPWXCRBDTWRG-UHFFFAOYSA-N -1 0 354.182 -0.195 20 0 FBADRM CCCC[C@H](NC(=O)NCC)C(=O)[N-]S(=O)(=O)CC(=O)OCC ZINC000838844642 660549286 /nfs/dbraw/zinc/54/92/86/660549286.db2.gz CLWDPEZRILFHMX-JTQLQIEISA-N -1 0 351.425 -0.127 20 0 FBADRM CCCC[C@@H](NC(=O)NCC)C(=O)[N-]S(=O)(=O)CC(=O)OCC ZINC000838844644 660549212 /nfs/dbraw/zinc/54/92/12/660549212.db2.gz CLWDPEZRILFHMX-SNVBAGLBSA-N -1 0 351.425 -0.127 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cc(Br)nn1C ZINC000838844897 660549204 /nfs/dbraw/zinc/54/92/04/660549204.db2.gz BCHOPOAUZGIHID-UHFFFAOYSA-N -1 0 354.182 -0.195 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000838845028 660549237 /nfs/dbraw/zinc/54/92/37/660549237.db2.gz GPNZNQAVHFZIMQ-UHFFFAOYSA-N -1 0 369.359 -0.706 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000838845123 660549300 /nfs/dbraw/zinc/54/93/00/660549300.db2.gz IYGJUVFKBGRPRG-LLVKDONJSA-N -1 0 369.399 -0.561 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000838845124 660549305 /nfs/dbraw/zinc/54/93/05/660549305.db2.gz IYGJUVFKBGRPRG-NSHDSACASA-N -1 0 369.399 -0.561 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2CN1C(C)=O ZINC000838845136 660549215 /nfs/dbraw/zinc/54/92/15/660549215.db2.gz JHQTUHPIQITLKQ-AWEZNQCLSA-N -1 0 368.411 -0.031 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2CN1C(C)=O ZINC000838845137 660549311 /nfs/dbraw/zinc/54/93/11/660549311.db2.gz JHQTUHPIQITLKQ-CQSZACIVSA-N -1 0 368.411 -0.031 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)(F)F ZINC000838846069 660549201 /nfs/dbraw/zinc/54/92/01/660549201.db2.gz MYSNHAIYQUMNBX-MRVPVSSYSA-N -1 0 362.326 -0.741 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000838846072 660549304 /nfs/dbraw/zinc/54/93/04/660549304.db2.gz MYSNHAIYQUMNBX-QMMMGPOBSA-N -1 0 362.326 -0.741 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cn(-c2cccc(OC)c2)nn1 ZINC000838846265 660549308 /nfs/dbraw/zinc/54/93/08/660549308.db2.gz PPKFBAWDAZHJJM-UHFFFAOYSA-N -1 0 368.371 -0.101 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)COCCNC(=O)c1ccccc1 ZINC000838846420 660549254 /nfs/dbraw/zinc/54/92/54/660549254.db2.gz KNTRCHBHPVGNJZ-UHFFFAOYSA-N -1 0 372.399 -0.558 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)C[C@@H](NC(N)=O)c1ccccc1 ZINC000838846566 660549208 /nfs/dbraw/zinc/54/92/08/660549208.db2.gz AIHUMJKXCZXWHH-LLVKDONJSA-N -1 0 357.388 -0.205 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)C[C@H](NC(N)=O)c1ccccc1 ZINC000838846568 660549248 /nfs/dbraw/zinc/54/92/48/660549248.db2.gz AIHUMJKXCZXWHH-NSHDSACASA-N -1 0 357.388 -0.205 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000838846657 660549205 /nfs/dbraw/zinc/54/92/05/660549205.db2.gz YGJRSALFNQSBBO-SSDOTTSWSA-N -1 0 360.310 -0.451 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000838846661 660549250 /nfs/dbraw/zinc/54/92/50/660549250.db2.gz YGJRSALFNQSBBO-ZETCQYMHSA-N -1 0 360.310 -0.451 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000838846673 660549297 /nfs/dbraw/zinc/54/92/97/660549297.db2.gz DFVMZXCJYVYNDR-UHFFFAOYSA-N -1 0 369.355 -0.889 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000838846740 660549235 /nfs/dbraw/zinc/54/92/35/660549235.db2.gz LXJWOHOMKBVNMJ-LLVKDONJSA-N -1 0 358.372 -0.128 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000838846741 660549302 /nfs/dbraw/zinc/54/93/02/660549302.db2.gz LXJWOHOMKBVNMJ-NSHDSACASA-N -1 0 358.372 -0.128 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CN1C(=O)NC(CC)(CC)C1=O ZINC000838846753 660549213 /nfs/dbraw/zinc/54/92/13/660549213.db2.gz DSONOLZISYJOBA-UHFFFAOYSA-N -1 0 363.392 -0.894 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CN(C)C(=O)c2ccccc21 ZINC000838846788 660549252 /nfs/dbraw/zinc/54/92/52/660549252.db2.gz MEVPAPWSXVPKJT-GFCCVEGCSA-N -1 0 354.384 -0.135 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CN(C)C(=O)c2ccccc21 ZINC000838846790 660549293 /nfs/dbraw/zinc/54/92/93/660549293.db2.gz MEVPAPWSXVPKJT-LBPRGKRZSA-N -1 0 354.384 -0.135 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCn1cnc2sccc2c1=O ZINC000838846999 660549257 /nfs/dbraw/zinc/54/92/57/660549257.db2.gz HHRPMUPZZHTGBQ-UHFFFAOYSA-N -1 0 373.412 -0.143 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000838847044 660549274 /nfs/dbraw/zinc/54/92/74/660549274.db2.gz ISNKBTCSCWYBTO-JTQLQIEISA-N -1 0 370.383 -0.190 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CN1c2ccccc2O[C@H](C)C1=O ZINC000838847047 660549290 /nfs/dbraw/zinc/54/92/90/660549290.db2.gz ISNKBTCSCWYBTO-SNVBAGLBSA-N -1 0 370.383 -0.190 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000838847092 660549266 /nfs/dbraw/zinc/54/92/66/660549266.db2.gz QBQXOPAYEDCSBG-UHFFFAOYSA-N -1 0 372.355 -0.846 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)OCC)C1 ZINC000838847434 660549226 /nfs/dbraw/zinc/54/92/26/660549226.db2.gz JTLNMHRTPRMQEQ-JTQLQIEISA-N -1 0 350.393 -0.136 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)OCC)C1 ZINC000838847435 660549315 /nfs/dbraw/zinc/54/93/15/660549315.db2.gz JTLNMHRTPRMQEQ-SNVBAGLBSA-N -1 0 350.393 -0.136 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H](C)n1nnc(-c2ccccc2)n1 ZINC000838847609 660549585 /nfs/dbraw/zinc/54/95/85/660549585.db2.gz NDAHGRWCQWRXGP-JTQLQIEISA-N -1 0 367.387 -0.090 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000838847611 660549549 /nfs/dbraw/zinc/54/95/49/660549549.db2.gz NDAHGRWCQWRXGP-SNVBAGLBSA-N -1 0 367.387 -0.090 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CNC(=O)Cc1cccc(F)c1 ZINC000838847636 660549610 /nfs/dbraw/zinc/54/96/10/660549610.db2.gz LYTSYNQMCIDZQW-UHFFFAOYSA-N -1 0 360.363 -0.507 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CN1CCc2ccccc2C1=O ZINC000838847684 660549607 /nfs/dbraw/zinc/54/96/07/660549607.db2.gz ZRFZQCIZFMTQEH-UHFFFAOYSA-N -1 0 354.384 -0.306 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)c(C)c1 ZINC000838847982 660549583 /nfs/dbraw/zinc/54/95/83/660549583.db2.gz MVESQBOIUBNIID-UHFFFAOYSA-N -1 0 353.360 -0.407 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccccc1 ZINC000838848101 660549536 /nfs/dbraw/zinc/54/95/36/660549536.db2.gz OTDXXENNUSTLOM-UHFFFAOYSA-N -1 0 356.400 -0.256 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000838848168 660549520 /nfs/dbraw/zinc/54/95/20/660549520.db2.gz GLHDPFLRIPSPDQ-JTQLQIEISA-N -1 0 358.372 -0.363 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000838848176 660549538 /nfs/dbraw/zinc/54/95/38/660549538.db2.gz GLHDPFLRIPSPDQ-SNVBAGLBSA-N -1 0 358.372 -0.363 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC000838848324 660549531 /nfs/dbraw/zinc/54/95/31/660549531.db2.gz UOGPFJHPKWOEQQ-SECBINFHSA-N -1 0 366.461 -0.057 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000838848325 660549574 /nfs/dbraw/zinc/54/95/74/660549574.db2.gz UOGPFJHPKWOEQQ-VIFPVBQESA-N -1 0 366.461 -0.057 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000838848351 660549601 /nfs/dbraw/zinc/54/96/01/660549601.db2.gz HVEZYFYFDSSYPP-AOOOYVTPSA-N -1 0 360.388 -0.829 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000838848352 660549577 /nfs/dbraw/zinc/54/95/77/660549577.db2.gz HVEZYFYFDSSYPP-NXEZZACHSA-N -1 0 360.388 -0.829 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000838848353 660549528 /nfs/dbraw/zinc/54/95/28/660549528.db2.gz HVEZYFYFDSSYPP-UWVGGRQHSA-N -1 0 360.388 -0.829 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1ccccc1OCC(=O)N(C)C ZINC000838848397 660549562 /nfs/dbraw/zinc/54/95/62/660549562.db2.gz RQIFFLJNCGXKIO-UHFFFAOYSA-N -1 0 372.399 -0.224 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)Cn1c2ccccc2n(CC)c1=O ZINC000838848452 660549533 /nfs/dbraw/zinc/54/95/33/660549533.db2.gz UMGTVFJKGUWHNI-UHFFFAOYSA-N -1 0 369.399 -0.168 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCn1c2ccccc2n(C)c1=O ZINC000838848630 660549591 /nfs/dbraw/zinc/54/95/91/660549591.db2.gz LEAGQMFUMUZRKQ-UHFFFAOYSA-N -1 0 369.399 -0.261 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000838848635 660549514 /nfs/dbraw/zinc/54/95/14/660549514.db2.gz LLHIMPLGGDECAK-GHMZBOCLSA-N -1 0 374.415 -0.439 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000838848639 660549557 /nfs/dbraw/zinc/54/95/57/660549557.db2.gz LLHIMPLGGDECAK-PHIMTYICSA-N -1 0 374.415 -0.439 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000838848641 660549539 /nfs/dbraw/zinc/54/95/39/660549539.db2.gz LLHIMPLGGDECAK-QWRGUYRKSA-N -1 0 374.415 -0.439 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cn(Cc2ccccc2)nn1 ZINC000838848936 660549579 /nfs/dbraw/zinc/54/95/79/660549579.db2.gz NCTBSPWBUVMWOV-UHFFFAOYSA-N -1 0 352.372 -0.051 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)Cn1c2ccccc2n(C)c1=O ZINC000838848973 660549581 /nfs/dbraw/zinc/54/95/81/660549581.db2.gz OMBHTPPGORQAHK-UHFFFAOYSA-N -1 0 355.372 -0.651 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000838849014 660549556 /nfs/dbraw/zinc/54/95/56/660549556.db2.gz QBHNAZWCOIGOTJ-LLVKDONJSA-N -1 0 356.356 -0.215 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000838849015 660549535 /nfs/dbraw/zinc/54/95/35/660549535.db2.gz QBHNAZWCOIGOTJ-NSHDSACASA-N -1 0 356.356 -0.215 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000838849020 660549516 /nfs/dbraw/zinc/54/95/16/660549516.db2.gz QDDOLTUPAVXVKA-UHFFFAOYSA-N -1 0 370.383 -0.041 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CN1C(=O)COc2ccccc21 ZINC000838849190 660549604 /nfs/dbraw/zinc/54/96/04/660549604.db2.gz QRMXQRAPXJRMCU-UHFFFAOYSA-N -1 0 356.356 -0.579 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CN1C(=O)c2ccc(C)cc2C1=O ZINC000838849199 660549571 /nfs/dbraw/zinc/54/95/71/660549571.db2.gz YSOZZBUJIQMPJE-UHFFFAOYSA-N -1 0 368.367 -0.400 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000838849333 660549542 /nfs/dbraw/zinc/54/95/42/660549542.db2.gz SPKOGNUIFQDENE-UHFFFAOYSA-N -1 0 368.367 -0.318 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CN1c2ccccc2OCCC1=O ZINC000838849366 660549518 /nfs/dbraw/zinc/54/95/18/660549518.db2.gz TXBLIBARXQSKAL-UHFFFAOYSA-N -1 0 370.383 -0.189 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CSCC(=O)N1CCCCC1 ZINC000838849376 660549545 /nfs/dbraw/zinc/54/95/45/660549545.db2.gz UEAGWDLQCNHGRZ-UHFFFAOYSA-N -1 0 366.461 -0.259 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000838849518 660549595 /nfs/dbraw/zinc/54/95/95/660549595.db2.gz VNSMLKORNQFJJU-UHFFFAOYSA-N -1 0 354.340 -0.465 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)Cn1cnc2c(C)cccc2c1=O ZINC000838849541 660549526 /nfs/dbraw/zinc/54/95/26/660549526.db2.gz WYDMVIGDOZHSJJ-UHFFFAOYSA-N -1 0 367.383 -0.286 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)Cn1cc(Br)cn1 ZINC000838849566 660549565 /nfs/dbraw/zinc/54/95/65/660549565.db2.gz ANFAFUWPBGDYKB-UHFFFAOYSA-N -1 0 354.182 -0.345 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(F)cc1 ZINC000838849666 660549588 /nfs/dbraw/zinc/54/95/88/660549588.db2.gz CLISVBWVFZRPRB-UHFFFAOYSA-N -1 0 360.363 -0.045 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nnnn1C1CC1 ZINC000838849681 660549569 /nfs/dbraw/zinc/54/95/69/660549569.db2.gz DGVFYSTXTWGSFP-SSDOTTSWSA-N -1 0 363.421 -0.502 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H](C)Sc1nnnn1C1CC1 ZINC000838849683 660549553 /nfs/dbraw/zinc/54/95/53/660549553.db2.gz DGVFYSTXTWGSFP-ZETCQYMHSA-N -1 0 363.421 -0.502 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 ZINC000838849732 660549524 /nfs/dbraw/zinc/54/95/24/660549524.db2.gz DWVDZVNTBISTAB-JTQLQIEISA-N -1 0 370.449 -0.943 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 ZINC000838849735 660549532 /nfs/dbraw/zinc/54/95/32/660549532.db2.gz DWVDZVNTBISTAB-SNVBAGLBSA-N -1 0 370.449 -0.943 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)OC)cc1 ZINC000838849920 660549894 /nfs/dbraw/zinc/54/98/94/660549894.db2.gz FSTUAZLNIYZVAA-UHFFFAOYSA-N -1 0 359.356 -0.139 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)n1 ZINC000838849985 660549880 /nfs/dbraw/zinc/54/98/80/660549880.db2.gz HESLHZVTQZDOFC-UHFFFAOYSA-N -1 0 352.372 -0.181 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(OCC(=O)OC)c1 ZINC000838850286 660549975 /nfs/dbraw/zinc/54/99/75/660549975.db2.gz KTUSHTIFVDYCQJ-UHFFFAOYSA-N -1 0 359.356 -0.139 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000838850299 660549910 /nfs/dbraw/zinc/54/99/10/660549910.db2.gz KZAKZHGYMQDTLL-SSDOTTSWSA-N -1 0 360.310 -0.594 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000838850302 660549948 /nfs/dbraw/zinc/54/99/48/660549948.db2.gz KZAKZHGYMQDTLL-ZETCQYMHSA-N -1 0 360.310 -0.594 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CN1C(=O)CCc2ccccc21 ZINC000838850597 660549952 /nfs/dbraw/zinc/54/99/52/660549952.db2.gz NXAIMKXUOLIUQH-UHFFFAOYSA-N -1 0 354.384 -0.025 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2N1C(C)=O ZINC000838850753 660549914 /nfs/dbraw/zinc/54/99/14/660549914.db2.gz QJMBZUFEJQSNDS-ZDUSSCGKSA-N -1 0 354.384 -0.027 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@H](NC(=O)c1ccccn1)C(C)C ZINC000838851534 660549896 /nfs/dbraw/zinc/54/98/96/660549896.db2.gz XCDWTTWRJSVWHZ-CYBMUJFWSA-N -1 0 371.415 -0.155 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](NC(=O)c1ccccn1)C(C)C ZINC000838851535 660549977 /nfs/dbraw/zinc/54/99/77/660549977.db2.gz XCDWTTWRJSVWHZ-ZDUSSCGKSA-N -1 0 371.415 -0.155 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000838851643 660549864 /nfs/dbraw/zinc/54/98/64/660549864.db2.gz ZVLJWBGXYYAFJA-UHFFFAOYSA-N -1 0 367.383 -0.251 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CN1CCCS1(=O)=O ZINC000838889128 660550355 /nfs/dbraw/zinc/55/03/55/660550355.db2.gz MXBQHDJTRYMBKR-JTQLQIEISA-N -1 0 370.449 -0.800 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CN1CCCS1(=O)=O ZINC000838889129 660550246 /nfs/dbraw/zinc/55/02/46/660550246.db2.gz MXBQHDJTRYMBKR-SNVBAGLBSA-N -1 0 370.449 -0.800 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cn1C ZINC000838892803 660550725 /nfs/dbraw/zinc/55/07/25/660550725.db2.gz YVCSLZNFTLXLMT-LLVKDONJSA-N -1 0 359.404 -0.085 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cn1C ZINC000838892805 660550618 /nfs/dbraw/zinc/55/06/18/660550618.db2.gz YVCSLZNFTLXLMT-NSHDSACASA-N -1 0 359.404 -0.085 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC ZINC000838893603 660550581 /nfs/dbraw/zinc/55/05/81/660550581.db2.gz XNSCJMUNIUCMQB-NEPJUHHUSA-N -1 0 350.437 -0.115 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC ZINC000838893616 660550719 /nfs/dbraw/zinc/55/07/19/660550719.db2.gz XNSCJMUNIUCMQB-NWDGAFQWSA-N -1 0 350.437 -0.115 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC ZINC000838893623 660550671 /nfs/dbraw/zinc/55/06/71/660550671.db2.gz XNSCJMUNIUCMQB-RYUDHWBXSA-N -1 0 350.437 -0.115 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC ZINC000838893628 660550589 /nfs/dbraw/zinc/55/05/89/660550589.db2.gz XNSCJMUNIUCMQB-VXGBXAGGSA-N -1 0 350.437 -0.115 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CN(C)C(=O)COC ZINC000838893661 660550722 /nfs/dbraw/zinc/55/07/22/660550722.db2.gz XOZAMEDJPGUEAN-JTQLQIEISA-N -1 0 352.409 -0.731 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CN(C)C(=O)COC ZINC000838893666 660550661 /nfs/dbraw/zinc/55/06/61/660550661.db2.gz XOZAMEDJPGUEAN-SNVBAGLBSA-N -1 0 352.409 -0.731 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)Cn1cc(C(C)=O)nn1 ZINC000838894066 660550608 /nfs/dbraw/zinc/55/06/08/660550608.db2.gz GGIFVVXWDNILOL-LLVKDONJSA-N -1 0 360.392 -0.342 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)Cn1cc(C(C)=O)nn1 ZINC000838894070 660550666 /nfs/dbraw/zinc/55/06/66/660550666.db2.gz GGIFVVXWDNILOL-NSHDSACASA-N -1 0 360.392 -0.342 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CS(=O)(=O)C1CC1 ZINC000838894867 660550675 /nfs/dbraw/zinc/55/06/75/660550675.db2.gz KNXWEFXLOHQCJT-JTQLQIEISA-N -1 0 355.434 -0.259 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CS(=O)(=O)C1CC1 ZINC000838894868 660550595 /nfs/dbraw/zinc/55/05/95/660550595.db2.gz KNXWEFXLOHQCJT-SNVBAGLBSA-N -1 0 355.434 -0.259 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CCn1ncn(C)c1=O ZINC000838896075 660550655 /nfs/dbraw/zinc/55/06/55/660550655.db2.gz SKWVRBTWGSVVQB-JTQLQIEISA-N -1 0 362.408 -0.850 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CCn1ncn(C)c1=O ZINC000838896078 660550598 /nfs/dbraw/zinc/55/05/98/660550598.db2.gz SKWVRBTWGSVVQB-SNVBAGLBSA-N -1 0 362.408 -0.850 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CN1CCOCC1=O ZINC000838896579 660550585 /nfs/dbraw/zinc/55/05/85/660550585.db2.gz ZETIVGNGYWVHDJ-JTQLQIEISA-N -1 0 350.393 -0.977 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CN1CCOCC1=O ZINC000838896580 660550633 /nfs/dbraw/zinc/55/06/33/660550633.db2.gz ZETIVGNGYWVHDJ-SNVBAGLBSA-N -1 0 350.393 -0.977 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CCn1cnccc1=O ZINC000838896715 660550711 /nfs/dbraw/zinc/55/07/11/660550711.db2.gz YKRNYOYJIRZDTG-LLVKDONJSA-N -1 0 359.404 -0.189 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CCn1cnccc1=O ZINC000838896716 660550729 /nfs/dbraw/zinc/55/07/29/660550729.db2.gz YKRNYOYJIRZDTG-NSHDSACASA-N -1 0 359.404 -0.189 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc3n[nH]nc3c2)CC1=O ZINC000838911815 660550310 /nfs/dbraw/zinc/55/03/10/660550310.db2.gz SHXRMQYLVFDACI-SECBINFHSA-N -1 0 367.387 -0.742 20 0 FBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3n[nH]nc3c2)CC1=O ZINC000838911819 660550242 /nfs/dbraw/zinc/55/02/42/660550242.db2.gz SHXRMQYLVFDACI-VIFPVBQESA-N -1 0 367.387 -0.742 20 0 FBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1)C(C)C ZINC000838917902 660550368 /nfs/dbraw/zinc/55/03/68/660550368.db2.gz SWVZRFCFSPAMNI-ZDUSSCGKSA-N -1 0 369.403 -0.450 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)CCn2c3ccccc3n(C)c2=O)c1 ZINC000838990094 660550997 /nfs/dbraw/zinc/55/09/97/660550997.db2.gz LMXDUPPSNAOLAR-UHFFFAOYSA-N -1 0 363.399 -0.031 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)COC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000838991308 660550926 /nfs/dbraw/zinc/55/09/26/660550926.db2.gz NJDYACQLONSLEG-UHFFFAOYSA-N -1 0 374.419 -0.139 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)Cn2c3ccccc3n(C)c2=O)cn1C ZINC000839014407 660550910 /nfs/dbraw/zinc/55/09/10/660550910.db2.gz ATMYSEIKCWCEIQ-UHFFFAOYSA-N -1 0 363.399 -0.113 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cn1C ZINC000839015331 660551280 /nfs/dbraw/zinc/55/12/80/660551280.db2.gz OOEUTANUKUOYTL-MRVPVSSYSA-N -1 0 368.337 -0.056 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cn1C ZINC000839015335 660551238 /nfs/dbraw/zinc/55/12/38/660551238.db2.gz OOEUTANUKUOYTL-QMMMGPOBSA-N -1 0 368.337 -0.056 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)c2c3n(c(=O)n2C)CCCC3)cn1C ZINC000839019377 660551326 /nfs/dbraw/zinc/55/13/26/660551326.db2.gz QDKBLQLXPGAEAH-UHFFFAOYSA-N -1 0 353.404 -0.316 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)c2cn(C)c(C)n2)C1=O ZINC000839021825 660551376 /nfs/dbraw/zinc/55/13/76/660551376.db2.gz QTJGPPUAXOROGY-UHFFFAOYSA-N -1 0 371.419 -0.356 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cccn2C)o1 ZINC000839062200 660551608 /nfs/dbraw/zinc/55/16/08/660551608.db2.gz BYVHPJHAEMJHPJ-UHFFFAOYSA-N -1 0 361.401 -0.013 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cccn2C)co1 ZINC000839063657 660551650 /nfs/dbraw/zinc/55/16/50/660551650.db2.gz BCVBEDHHLSYQLJ-UHFFFAOYSA-N -1 0 361.401 -0.013 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)[N-]S(=O)(=O)c2cccn2C)c1 ZINC000839064494 660551599 /nfs/dbraw/zinc/55/15/99/660551599.db2.gz VBZAROHTOMSEFR-UHFFFAOYSA-N -1 0 360.417 -0.278 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cccn2C)n(C)c1 ZINC000839065201 660551595 /nfs/dbraw/zinc/55/15/95/660551595.db2.gz LDKSDVTVZWGPOP-UHFFFAOYSA-N -1 0 374.444 -0.267 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)c2cccn2C)C1=O ZINC000839065586 660551637 /nfs/dbraw/zinc/55/16/37/660551637.db2.gz PSQBCTMHBYRFJB-UHFFFAOYSA-N -1 0 356.404 -0.059 20 0 FBADRM COC(=O)Cc1cc(OC)ccc1S(=O)(=O)[N-]C(=O)c1cnn(C)n1 ZINC000839090527 660551648 /nfs/dbraw/zinc/55/16/48/660551648.db2.gz HNADHPXMFQBWOI-UHFFFAOYSA-N -1 0 368.371 -0.342 20 0 FBADRM CNC(=O)[C@H](O)CNC(=O)c1cccc(I)c1[O-] ZINC000839740047 660679025 /nfs/dbraw/zinc/67/90/25/660679025.db2.gz MEJYNASBJZIREU-MRVPVSSYSA-N -1 0 364.139 -0.167 20 0 FBADRM CNC(=O)[C@@H](O)CNC(=O)c1cccc(I)c1[O-] ZINC000839740048 660679095 /nfs/dbraw/zinc/67/90/95/660679095.db2.gz MEJYNASBJZIREU-QMMMGPOBSA-N -1 0 364.139 -0.167 20 0 FBADRM CC(C)(O)CO[N-]C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000839741582 660679101 /nfs/dbraw/zinc/67/91/01/660679101.db2.gz PBHLSDOKCNRAMN-UHFFFAOYSA-N -1 0 374.415 -0.055 20 0 FBADRM C[C@@H](O)[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000839800889 660768576 /nfs/dbraw/zinc/76/85/76/660768576.db2.gz LPADRVDMNBBCAM-ZWNOBZJWSA-N -1 0 358.416 -0.352 20 0 FBADRM Cc1ccccc1-n1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nn1 ZINC000840435688 661082088 /nfs/dbraw/zinc/08/20/88/661082088.db2.gz IDGWWGFFGHFZAA-UHFFFAOYSA-N -1 0 351.388 -0.229 20 0 FBADRM COC[C@@H](C(N)=O)N(C)S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000840888630 658475261 /nfs/dbraw/zinc/47/52/61/658475261.db2.gz AMFHSRJBHLKACF-QMMMGPOBSA-N -1 0 352.315 -0.216 20 0 FBADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1F ZINC000840894022 661177934 /nfs/dbraw/zinc/17/79/34/661177934.db2.gz MXWMSYQWVSIVRF-DTORHVGOSA-N -1 0 356.331 -0.275 20 0 FBADRM COC(=O)NCCNS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000840895726 661178172 /nfs/dbraw/zinc/17/81/72/661178172.db2.gz UHJHBODMWHKLHJ-UHFFFAOYSA-N -1 0 350.324 -0.077 20 0 FBADRM COC(=O)NCCNS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000840895861 658644136 /nfs/dbraw/zinc/64/41/36/658644136.db2.gz YVQLKRIJAQIKJU-UHFFFAOYSA-N -1 0 360.344 -0.210 20 0 FBADRM CC(C)(C)OC(=O)N1CC(C)(C(=O)NCCC(=O)[N-]S(C)(=O)=O)C1 ZINC000841430993 661179984 /nfs/dbraw/zinc/17/99/84/661179984.db2.gz VRCNJHHSKBCCSI-UHFFFAOYSA-N -1 0 363.436 -0.175 20 0 FBADRM O=C(OCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1 ZINC000841536385 661181275 /nfs/dbraw/zinc/18/12/75/661181275.db2.gz FAFWOIBNSUCJLH-UHFFFAOYSA-N -1 0 354.344 -0.333 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)N2CCc3cc(C(=O)[O-])ccc32)cn1 ZINC000841769911 661183218 /nfs/dbraw/zinc/18/32/18/661183218.db2.gz KBAMAZQQGGKWGH-UHFFFAOYSA-N -1 0 364.383 -0.014 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)N2CCc3cc(C(=O)[O-])ccc32)c1 ZINC000841771852 661183390 /nfs/dbraw/zinc/18/33/90/661183390.db2.gz ZATOAJQWWLYCMU-UHFFFAOYSA-N -1 0 364.383 -0.014 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cc(F)c1F ZINC000841782810 661183316 /nfs/dbraw/zinc/18/33/16/661183316.db2.gz HVWJHIRQIHMGMT-GFCCVEGCSA-N -1 0 353.299 -0.135 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])cc(F)c1F ZINC000841782811 661183514 /nfs/dbraw/zinc/18/35/14/661183514.db2.gz HVWJHIRQIHMGMT-LBPRGKRZSA-N -1 0 353.299 -0.135 20 0 FBADRM COc1ccc(N2C[C@H](C(=O)N[C@@H](CO)C(=O)[O-])CC2=O)c(OC)c1 ZINC000842053390 661185191 /nfs/dbraw/zinc/18/51/91/661185191.db2.gz UXGJJFYRVGSODV-KOLCDFICSA-N -1 0 352.343 -0.382 20 0 FBADRM COc1ccc(N2C[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])CC2=O)c(OC)c1 ZINC000842053392 661184955 /nfs/dbraw/zinc/18/49/55/661184955.db2.gz UXGJJFYRVGSODV-ONGXEEELSA-N -1 0 352.343 -0.382 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)nn1 ZINC000842279709 661187973 /nfs/dbraw/zinc/18/79/73/661187973.db2.gz YOXZAOFDTSQLOC-UHFFFAOYSA-N -1 0 368.371 -0.186 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)OC)s2)nn1 ZINC000842293045 661188076 /nfs/dbraw/zinc/18/80/76/661188076.db2.gz HOEIOZPXPHUWHA-UHFFFAOYSA-N -1 0 374.400 -0.109 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)OC)c2)nn1 ZINC000842297171 661188297 /nfs/dbraw/zinc/18/82/97/661188297.db2.gz ISQLAEGSCMYNRO-UHFFFAOYSA-N -1 0 368.371 -0.170 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)nn1 ZINC000842298020 661188111 /nfs/dbraw/zinc/18/81/11/661188111.db2.gz AQIMDCQYVIAOPH-UHFFFAOYSA-N -1 0 351.388 -0.038 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)N2CCc3ccccc3C2)nn1 ZINC000842298097 661188221 /nfs/dbraw/zinc/18/82/21/661188221.db2.gz BSHXTGPKAFFTHU-UHFFFAOYSA-N -1 0 365.415 -0.043 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)C1(C)CN(C(=O)OC(C)(C)C)C1 ZINC000842303203 661188188 /nfs/dbraw/zinc/18/81/88/661188188.db2.gz GRXKNJPUNVZKDB-UHFFFAOYSA-N -1 0 350.393 -0.138 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000842303217 661188117 /nfs/dbraw/zinc/18/81/17/661188117.db2.gz HFMKFLGRXRSXNS-MRVPVSSYSA-N -1 0 354.340 -0.710 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000842305353 661188208 /nfs/dbraw/zinc/18/82/08/661188208.db2.gz YDSVNOWWUHGWIG-UHFFFAOYSA-N -1 0 371.339 -0.085 20 0 FBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)CC1=O ZINC000842306099 661188081 /nfs/dbraw/zinc/18/80/81/661188081.db2.gz ICBCPIPHKQJTHU-MRVPVSSYSA-N -1 0 359.429 -0.090 20 0 FBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)CC1=O ZINC000842306397 661188063 /nfs/dbraw/zinc/18/80/63/661188063.db2.gz ICBCPIPHKQJTHU-QMMMGPOBSA-N -1 0 359.429 -0.090 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)N1C(=O)c2ccccc2C1=O ZINC000842311796 661188126 /nfs/dbraw/zinc/18/81/26/661188126.db2.gz ZWFRCQUNIUALIV-NXEZZACHSA-N -1 0 352.368 -0.094 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCOC1)N1C(=O)c2ccccc2C1=O ZINC000842311797 661188293 /nfs/dbraw/zinc/18/82/93/661188293.db2.gz ZWFRCQUNIUALIV-ZJUUUORDSA-N -1 0 352.368 -0.094 20 0 FBADRM Cc1ccccc1-n1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)nn1 ZINC000842312177 661188085 /nfs/dbraw/zinc/18/80/85/661188085.db2.gz CGGRADQWWNOZEL-UHFFFAOYSA-N -1 0 351.388 -0.117 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)N1C(=O)c2ccccc2C1=O ZINC000842313068 661188199 /nfs/dbraw/zinc/18/81/99/661188199.db2.gz LGOFCEFYQLUWDU-SNVBAGLBSA-N -1 0 367.383 -0.636 20 0 FBADRM CC(C)(C)OC(=O)N1CC(C)(C(=O)[N-]S(=O)(=O)N2CCOCC2)C1 ZINC000842313110 661188159 /nfs/dbraw/zinc/18/81/59/661188159.db2.gz LWSGHTIDTHMVFK-UHFFFAOYSA-N -1 0 363.436 -0.063 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000842319873 661188267 /nfs/dbraw/zinc/18/82/67/661188267.db2.gz QXTFWEOLZQJODQ-SNVBAGLBSA-N -1 0 369.399 -0.390 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)c1cn(CCOC)nn1 ZINC000842326731 661188141 /nfs/dbraw/zinc/18/81/41/661188141.db2.gz NUDXKLKPTLOYAE-UHFFFAOYSA-N -1 0 370.435 -0.099 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)nn1 ZINC000842327650 661188213 /nfs/dbraw/zinc/18/82/13/661188213.db2.gz GDQXUIGMTMBXIM-UHFFFAOYSA-N -1 0 354.344 -0.228 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000842332122 661188274 /nfs/dbraw/zinc/18/82/74/661188274.db2.gz PNYKOLIZGDSALZ-SECBINFHSA-N -1 0 368.367 -0.320 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cn(CCOC)nn2)cn1 ZINC000842333450 661188241 /nfs/dbraw/zinc/18/82/41/661188241.db2.gz YWSNTTFJLGJFAQ-UHFFFAOYSA-N -1 0 355.376 -0.163 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)c2cn(CC(C)C)cn2)nn1 ZINC000842334504 661188107 /nfs/dbraw/zinc/18/81/07/661188107.db2.gz XTLMUXFKTXJTCJ-UHFFFAOYSA-N -1 0 356.408 -0.104 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000842334535 661188045 /nfs/dbraw/zinc/18/80/45/661188045.db2.gz YKXMHGQHUOIRAQ-LLVKDONJSA-N -1 0 371.390 -0.852 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000842334537 661188307 /nfs/dbraw/zinc/18/83/07/661188307.db2.gz YKXMHGQHUOIRAQ-NSHDSACASA-N -1 0 371.390 -0.852 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000842334565 661188203 /nfs/dbraw/zinc/18/82/03/661188203.db2.gz WCVLCHRCPULHQW-BDAKNGLRSA-N -1 0 368.367 -0.321 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000842334567 661188149 /nfs/dbraw/zinc/18/81/49/661188149.db2.gz WCVLCHRCPULHQW-RKDXNWHRSA-N -1 0 368.367 -0.321 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)C1(C)CN(C(=O)OC(C)(C)C)C1 ZINC000842342199 661188193 /nfs/dbraw/zinc/18/81/93/661188193.db2.gz YOLSSKIZVFPGMD-UHFFFAOYSA-N -1 0 359.408 -0.123 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCO3)nn1 ZINC000842348169 661188165 /nfs/dbraw/zinc/18/81/65/661188165.db2.gz IRLFYOSSYUXOES-UHFFFAOYSA-N -1 0 352.372 -0.022 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1cn(CCOC)nn1 ZINC000842354817 661188562 /nfs/dbraw/zinc/18/85/62/661188562.db2.gz RZUQCLUCXSMPKX-LLVKDONJSA-N -1 0 362.408 -0.284 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1cn(CCOC)nn1 ZINC000842354818 661188451 /nfs/dbraw/zinc/18/84/51/661188451.db2.gz RZUQCLUCXSMPKX-NSHDSACASA-N -1 0 362.408 -0.284 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000842354964 661188540 /nfs/dbraw/zinc/18/85/40/661188540.db2.gz CHSWVIRGGBQJEG-UHFFFAOYSA-N -1 0 372.355 -0.846 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000842354999 661188546 /nfs/dbraw/zinc/18/85/46/661188546.db2.gz BRFOSDCAQHEILF-SECBINFHSA-N -1 0 368.367 -0.320 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)COCCNC(=O)c1ccccc1 ZINC000842355098 661188530 /nfs/dbraw/zinc/18/85/30/661188530.db2.gz DHWXOWPSSFXPQR-UHFFFAOYSA-N -1 0 372.399 -0.558 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000842355219 661188553 /nfs/dbraw/zinc/18/85/53/661188553.db2.gz FXUWUONTZFZQCB-LLVKDONJSA-N -1 0 358.372 -0.128 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000842355220 661188460 /nfs/dbraw/zinc/18/84/60/661188460.db2.gz FXUWUONTZFZQCB-NSHDSACASA-N -1 0 358.372 -0.128 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(OC)cc1 ZINC000842355477 661188480 /nfs/dbraw/zinc/18/84/80/661188480.db2.gz IVHLSROZMGBCEA-UHFFFAOYSA-N -1 0 358.372 -0.566 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CN1CCN(c2ccccn2)CC1 ZINC000842355599 661188469 /nfs/dbraw/zinc/18/84/69/661188469.db2.gz KSGGFCJNYPJJOH-UHFFFAOYSA-N -1 0 370.431 -0.787 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cn(-c2cccc(OC)c2)nn1 ZINC000842355603 661188474 /nfs/dbraw/zinc/18/84/74/661188474.db2.gz KGPXSRIXGMKFKK-UHFFFAOYSA-N -1 0 368.371 -0.101 20 0 FBADRM CCCC[C@H](NC(=O)NCC)C(=O)[N-]S(=O)(=O)CCC(=O)OC ZINC000842355655 661188444 /nfs/dbraw/zinc/18/84/44/661188444.db2.gz LEIRYASHYCNYPZ-JTQLQIEISA-N -1 0 351.425 -0.127 20 0 FBADRM CCCC[C@@H](NC(=O)NCC)C(=O)[N-]S(=O)(=O)CCC(=O)OC ZINC000842355675 661188551 /nfs/dbraw/zinc/18/85/51/661188551.db2.gz LEIRYASHYCNYPZ-SNVBAGLBSA-N -1 0 351.425 -0.127 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2CN1C(C)=O ZINC000842355788 661188542 /nfs/dbraw/zinc/18/85/42/661188542.db2.gz NNSPLDAXNLFHFM-AWEZNQCLSA-N -1 0 368.411 -0.031 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2CN1C(C)=O ZINC000842355792 661188570 /nfs/dbraw/zinc/18/85/70/661188570.db2.gz NNSPLDAXNLFHFM-CQSZACIVSA-N -1 0 368.411 -0.031 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000842356037 661188510 /nfs/dbraw/zinc/18/85/10/661188510.db2.gz QNLAFPFWPCDRLX-UHFFFAOYSA-N -1 0 350.393 -0.138 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CN1C(=O)CCc2ccccc21 ZINC000842356485 661188573 /nfs/dbraw/zinc/18/85/73/661188573.db2.gz JHDIMBVOZUQOHE-UHFFFAOYSA-N -1 0 354.384 -0.025 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000842356915 661188493 /nfs/dbraw/zinc/18/84/93/661188493.db2.gz CUJKGOLJVKUWID-SSDOTTSWSA-N -1 0 360.310 -0.451 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000842356919 661188556 /nfs/dbraw/zinc/18/85/56/661188556.db2.gz CUJKGOLJVKUWID-ZETCQYMHSA-N -1 0 360.310 -0.451 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@H](C)n1nnc(-c2ccccc2)n1 ZINC000842357058 661188537 /nfs/dbraw/zinc/18/85/37/661188537.db2.gz RAFNZHQDLLQQFK-JTQLQIEISA-N -1 0 367.387 -0.090 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000842357059 661188490 /nfs/dbraw/zinc/18/84/90/661188490.db2.gz RAFNZHQDLLQQFK-SNVBAGLBSA-N -1 0 367.387 -0.090 20 0 FBADRM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)CCC(=O)OC ZINC000842357131 661188549 /nfs/dbraw/zinc/18/85/49/661188549.db2.gz UWZNGEHALBIURZ-NXEZZACHSA-N -1 0 366.461 -0.057 20 0 FBADRM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)CCC(=O)OC ZINC000842357132 661188568 /nfs/dbraw/zinc/18/85/68/661188568.db2.gz UWZNGEHALBIURZ-UWVGGRQHSA-N -1 0 366.461 -0.057 20 0 FBADRM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)CCC(=O)OC ZINC000842357133 661188526 /nfs/dbraw/zinc/18/85/26/661188526.db2.gz UWZNGEHALBIURZ-VHSXEESVSA-N -1 0 366.461 -0.057 20 0 FBADRM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)CCC(=O)OC ZINC000842357134 661188524 /nfs/dbraw/zinc/18/85/24/661188524.db2.gz UWZNGEHALBIURZ-ZJUUUORDSA-N -1 0 366.461 -0.057 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC000842357194 661188578 /nfs/dbraw/zinc/18/85/78/661188578.db2.gz XIZLXLYKHSFQAU-SECBINFHSA-N -1 0 366.461 -0.057 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000842357195 661188520 /nfs/dbraw/zinc/18/85/20/661188520.db2.gz XIZLXLYKHSFQAU-VIFPVBQESA-N -1 0 366.461 -0.057 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@H](NC(=O)c1ccccn1)C(C)C ZINC000842357291 661188533 /nfs/dbraw/zinc/18/85/33/661188533.db2.gz ZECHCUGANQNGLD-CYBMUJFWSA-N -1 0 371.415 -0.155 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H](NC(=O)c1ccccn1)C(C)C ZINC000842357292 661188486 /nfs/dbraw/zinc/18/84/86/661188486.db2.gz ZECHCUGANQNGLD-ZDUSSCGKSA-N -1 0 371.415 -0.155 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)(F)F ZINC000842357457 661188555 /nfs/dbraw/zinc/18/85/55/661188555.db2.gz HDSCFGMMYKIMSE-MRVPVSSYSA-N -1 0 362.326 -0.741 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000842357458 661188535 /nfs/dbraw/zinc/18/85/35/661188535.db2.gz HDSCFGMMYKIMSE-QMMMGPOBSA-N -1 0 362.326 -0.741 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000842358156 661188699 /nfs/dbraw/zinc/18/86/99/661188699.db2.gz JXOBVBQWLFTWAA-UHFFFAOYSA-N -1 0 370.383 -0.041 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000842358191 661188815 /nfs/dbraw/zinc/18/88/15/661188815.db2.gz COSBWXZHYLKFQB-JTQLQIEISA-N -1 0 370.383 -0.190 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CN1c2ccccc2O[C@H](C)C1=O ZINC000842358193 661188674 /nfs/dbraw/zinc/18/86/74/661188674.db2.gz COSBWXZHYLKFQB-SNVBAGLBSA-N -1 0 370.383 -0.190 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CN1CCc2ccccc2C1=O ZINC000842358416 661188679 /nfs/dbraw/zinc/18/86/79/661188679.db2.gz RYDPOQLLMMCWAD-UHFFFAOYSA-N -1 0 354.384 -0.306 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cccc(OCC(=O)OC)c1 ZINC000842358610 661188801 /nfs/dbraw/zinc/18/88/01/661188801.db2.gz IAOYYXBICJVSSV-UHFFFAOYSA-N -1 0 359.356 -0.139 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)c(C)c1 ZINC000842358620 661188713 /nfs/dbraw/zinc/18/87/13/661188713.db2.gz IHSVYWNBWZSDFD-UHFFFAOYSA-N -1 0 353.360 -0.407 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000842358627 661188717 /nfs/dbraw/zinc/18/87/17/661188717.db2.gz IOEUBAFAUAXJTG-SSDOTTSWSA-N -1 0 360.310 -0.594 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000842358628 661188804 /nfs/dbraw/zinc/18/88/04/661188804.db2.gz IOEUBAFAUAXJTG-ZETCQYMHSA-N -1 0 360.310 -0.594 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CN1C(=O)c2ccc(C)cc2C1=O ZINC000842358941 661188689 /nfs/dbraw/zinc/18/86/89/661188689.db2.gz JZRCZMMPCDHNDB-UHFFFAOYSA-N -1 0 368.367 -0.400 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(F)cc1 ZINC000842358969 661188748 /nfs/dbraw/zinc/18/87/48/661188748.db2.gz KMZASVJBWCWQLZ-UHFFFAOYSA-N -1 0 360.363 -0.045 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000842358983 661188731 /nfs/dbraw/zinc/18/87/31/661188731.db2.gz NXFTXVCJDLMKAE-DCAQKATOSA-N -1 0 374.415 -0.441 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000842358987 661188754 /nfs/dbraw/zinc/18/87/54/661188754.db2.gz NXFTXVCJDLMKAE-GARJFASQSA-N -1 0 374.415 -0.441 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000842358992 661188799 /nfs/dbraw/zinc/18/87/99/661188799.db2.gz NXFTXVCJDLMKAE-HBNTYKKESA-N -1 0 374.415 -0.441 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CNC(=O)Cc1cccc(F)c1 ZINC000842358993 661188758 /nfs/dbraw/zinc/18/87/58/661188758.db2.gz KZIPSHATPSLASA-UHFFFAOYSA-N -1 0 360.363 -0.507 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000842358995 661188806 /nfs/dbraw/zinc/18/88/06/661188806.db2.gz NXFTXVCJDLMKAE-MXWKQRLJSA-N -1 0 374.415 -0.441 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000842359010 661188772 /nfs/dbraw/zinc/18/87/72/661188772.db2.gz OBXONHMKUKKTDR-UHFFFAOYSA-N -1 0 368.367 -0.318 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)CCC(=O)OC)C1=O ZINC000842359089 661188775 /nfs/dbraw/zinc/18/87/75/661188775.db2.gz PRTNGDSKIDOOBJ-UHFFFAOYSA-N -1 0 363.392 -0.894 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)OC)cc1 ZINC000842359418 661188765 /nfs/dbraw/zinc/18/87/65/661188765.db2.gz NMSPNJJDHACGDG-UHFFFAOYSA-N -1 0 359.356 -0.139 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)Cn1cnc2c(C)cccc2c1=O ZINC000842359469 661188810 /nfs/dbraw/zinc/18/88/10/661188810.db2.gz UEISOJMKJBMNHG-UHFFFAOYSA-N -1 0 367.383 -0.286 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000842359498 661188760 /nfs/dbraw/zinc/18/87/60/661188760.db2.gz OJNHRXHBXHJTGQ-UHFFFAOYSA-N -1 0 367.383 -0.251 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000842359579 661188785 /nfs/dbraw/zinc/18/87/85/661188785.db2.gz PGLXGHLOAPIWJG-UHFFFAOYSA-N -1 0 369.355 -0.889 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000842359871 661188797 /nfs/dbraw/zinc/18/87/97/661188797.db2.gz WGHWRZCHDWOODV-AOOOYVTPSA-N -1 0 360.388 -0.829 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000842359872 661188780 /nfs/dbraw/zinc/18/87/80/661188780.db2.gz WGHWRZCHDWOODV-NXEZZACHSA-N -1 0 360.388 -0.829 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000842359873 661188741 /nfs/dbraw/zinc/18/87/41/661188741.db2.gz WGHWRZCHDWOODV-UWVGGRQHSA-N -1 0 360.388 -0.829 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CN1C(=O)COc2ccccc21 ZINC000842359885 661188788 /nfs/dbraw/zinc/18/87/88/661188788.db2.gz WWDLQGWRAHGTRE-UHFFFAOYSA-N -1 0 356.356 -0.579 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CCn1c2ccccc2n(C)c1=O ZINC000842360175 661188807 /nfs/dbraw/zinc/18/88/07/661188807.db2.gz YORRIMBFPFSMTQ-UHFFFAOYSA-N -1 0 369.399 -0.261 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccccc1 ZINC000842360237 661188778 /nfs/dbraw/zinc/18/87/78/661188778.db2.gz ZHVIAABFTFDFHL-UHFFFAOYSA-N -1 0 356.400 -0.256 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000842360239 661188813 /nfs/dbraw/zinc/18/88/13/661188813.db2.gz ZKJITMMQAGWKKS-GHMZBOCLSA-N -1 0 374.415 -0.439 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000842360241 661188723 /nfs/dbraw/zinc/18/87/23/661188723.db2.gz ZKJITMMQAGWKKS-PHIMTYICSA-N -1 0 374.415 -0.439 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000842360243 661188795 /nfs/dbraw/zinc/18/87/95/661188795.db2.gz ZKJITMMQAGWKKS-QWRGUYRKSA-N -1 0 374.415 -0.439 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CN1c2ccccc2OCCC1=O ZINC000842360247 661188793 /nfs/dbraw/zinc/18/87/93/661188793.db2.gz ZNYZPJJNGLJCAM-UHFFFAOYSA-N -1 0 370.383 -0.189 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccccc1OCC(=O)N(C)C ZINC000842360531 661188789 /nfs/dbraw/zinc/18/87/89/661188789.db2.gz QTAOUUIZEVZWFL-UHFFFAOYSA-N -1 0 372.399 -0.224 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)n1 ZINC000842360550 661188764 /nfs/dbraw/zinc/18/87/64/661188764.db2.gz QYTWDSMFWUHNFZ-UHFFFAOYSA-N -1 0 352.372 -0.181 20 0 FBADRM CCn1c2ccccc2n(CC(=O)[N-]S(=O)(=O)CCC(=O)OC)c1=O ZINC000842360672 661188770 /nfs/dbraw/zinc/18/87/70/661188770.db2.gz RSBXFPXDBWDJIQ-UHFFFAOYSA-N -1 0 369.399 -0.168 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)Cn1cc(Br)cn1 ZINC000842361314 661188756 /nfs/dbraw/zinc/18/87/56/661188756.db2.gz YPVKFWHPSRJBLH-UHFFFAOYSA-N -1 0 354.182 -0.345 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2N1C(C)=O ZINC000842361353 661188792 /nfs/dbraw/zinc/18/87/92/661188792.db2.gz ZCSQTMNEILEJPA-ZDUSSCGKSA-N -1 0 354.384 -0.027 20 0 FBADRM CCOC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CCC(=O)OC)C1 ZINC000842361440 661188704 /nfs/dbraw/zinc/18/87/04/661188704.db2.gz ZOUOVASEXJWYKO-JTQLQIEISA-N -1 0 350.393 -0.136 20 0 FBADRM CCOC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCC(=O)OC)C1 ZINC000842361442 661189041 /nfs/dbraw/zinc/18/90/41/661189041.db2.gz ZOUOVASEXJWYKO-SNVBAGLBSA-N -1 0 350.393 -0.136 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C2SCCCS2)CC1 ZINC000842363673 661189034 /nfs/dbraw/zinc/18/90/34/661189034.db2.gz ASBIHBRYGNMNOA-UHFFFAOYSA-N -1 0 353.491 -0.292 20 0 FBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)C1 ZINC000842363752 661189013 /nfs/dbraw/zinc/18/90/13/661189013.db2.gz CBWXCRLYTYDGEM-NWDGAFQWSA-N -1 0 361.420 -0.899 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000842364805 661189044 /nfs/dbraw/zinc/18/90/44/661189044.db2.gz MWWCDGUNJWIMNV-JTQLQIEISA-N -1 0 363.436 -0.511 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000842364806 661189084 /nfs/dbraw/zinc/18/90/84/661189084.db2.gz MWWCDGUNJWIMNV-SNVBAGLBSA-N -1 0 363.436 -0.511 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3ccccc3O2)CC1 ZINC000842365565 661189126 /nfs/dbraw/zinc/18/91/26/661189126.db2.gz TUWHRPFKVUERDN-HNNXBMFYSA-N -1 0 367.427 -0.095 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CCc3ccccc3O2)CC1 ZINC000842365568 661189121 /nfs/dbraw/zinc/18/91/21/661189121.db2.gz TUWHRPFKVUERDN-OAHLLOKOSA-N -1 0 367.427 -0.095 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)nn1 ZINC000842375756 661189092 /nfs/dbraw/zinc/18/90/92/661189092.db2.gz DBSBIJARKJQDBS-UHFFFAOYSA-N -1 0 356.408 -0.100 20 0 FBADRM Cc1ccncc1S(=O)(=O)[N-]C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000842393584 661189028 /nfs/dbraw/zinc/18/90/28/661189028.db2.gz SDPASCKKIPDZFU-HNNXBMFYSA-N -1 0 366.399 -0.085 20 0 FBADRM Cc1ccncc1S(=O)(=O)[N-]C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000842393585 661189094 /nfs/dbraw/zinc/18/90/94/661189094.db2.gz SDPASCKKIPDZFU-OAHLLOKOSA-N -1 0 366.399 -0.085 20 0 FBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)c1cccc2c1OC(F)(F)O2 ZINC000842425483 661189452 /nfs/dbraw/zinc/18/94/52/661189452.db2.gz KXTOMWDCJRDWIY-UHFFFAOYSA-N -1 0 357.312 -0.142 20 0 FBADRM COC(=O)Cc1ccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2)cc1F ZINC000842470463 661189300 /nfs/dbraw/zinc/18/93/00/661189300.db2.gz LPJMOECTEDZCHM-UHFFFAOYSA-N -1 0 374.390 -0.322 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000842516400 661190000 /nfs/dbraw/zinc/19/00/00/661190000.db2.gz ZFLBGCWOTNMXBO-UHFFFAOYSA-N -1 0 360.407 -0.065 20 0 FBADRM CO[C@@H](CS(=O)(=O)[N-]N=c1ccc(S(N)(=O)=O)c[nH]1)C(C)C ZINC000842575252 661190111 /nfs/dbraw/zinc/19/01/11/661190111.db2.gz HOLOTFSAOBXRGZ-JTQLQIEISA-N -1 0 352.438 -0.354 20 0 FBADRM CO[C@H](CS(=O)(=O)[N-]N=c1ccc(S(N)(=O)=O)c[nH]1)C(C)C ZINC000842575253 661190019 /nfs/dbraw/zinc/19/00/19/661190019.db2.gz HOLOTFSAOBXRGZ-SNVBAGLBSA-N -1 0 352.438 -0.354 20 0 FBADRM CO[C@@H](CS(=O)(=O)[N-]N=c1ccc(S(N)(=O)=O)c[nH]1)C1CC1 ZINC000842575870 661190051 /nfs/dbraw/zinc/19/00/51/661190051.db2.gz PIDQJHRRFPYEFA-JTQLQIEISA-N -1 0 350.422 -0.600 20 0 FBADRM CO[C@H](CS(=O)(=O)[N-]N=c1ccc(S(N)(=O)=O)c[nH]1)C1CC1 ZINC000842575871 661189948 /nfs/dbraw/zinc/18/99/48/661189948.db2.gz PIDQJHRRFPYEFA-SNVBAGLBSA-N -1 0 350.422 -0.600 20 0 FBADRM CCN=c1nc(NCC)nc2[n-]nc(SCc3nc(CN)no3)n21 ZINC000842650803 661190549 /nfs/dbraw/zinc/19/05/49/661190549.db2.gz KEFBFJQPSNNYCS-UHFFFAOYSA-N -1 0 350.412 -0.061 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)S2(=O)=O)cc1 ZINC000842674753 661191177 /nfs/dbraw/zinc/19/11/77/661191177.db2.gz BQFLPKFOTVTVDP-GFCCVEGCSA-N -1 0 360.413 -0.272 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)S2(=O)=O)cc1 ZINC000842674754 661191156 /nfs/dbraw/zinc/19/11/56/661191156.db2.gz BQFLPKFOTVTVDP-LBPRGKRZSA-N -1 0 360.413 -0.272 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)S2(=O)=O)cc1 ZINC000842674757 661191079 /nfs/dbraw/zinc/19/10/79/661191079.db2.gz BSBATTHZIQNNAD-GFCCVEGCSA-N -1 0 362.429 -0.076 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)S2(=O)=O)cc1 ZINC000842674758 661190983 /nfs/dbraw/zinc/19/09/83/661190983.db2.gz BSBATTHZIQNNAD-LBPRGKRZSA-N -1 0 362.429 -0.076 20 0 FBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)c3cc(C(N)=O)n(C)c3)(C1)C2 ZINC000842675116 661191034 /nfs/dbraw/zinc/19/10/34/661191034.db2.gz BKXDFSDXFZQDOP-UHFFFAOYSA-N -1 0 355.372 -0.728 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)S2(=O)=O)c1 ZINC000842675266 661190894 /nfs/dbraw/zinc/19/08/94/661190894.db2.gz IXTPKRAQRIRFRO-GFCCVEGCSA-N -1 0 360.413 -0.272 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)S2(=O)=O)c1 ZINC000842675268 661191016 /nfs/dbraw/zinc/19/10/16/661191016.db2.gz IXTPKRAQRIRFRO-LBPRGKRZSA-N -1 0 360.413 -0.272 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cn(C3CCC3)nn2)cc1C(N)=O ZINC000842675299 661191173 /nfs/dbraw/zinc/19/11/73/661191173.db2.gz KBHMUFAWNFUMMS-UHFFFAOYSA-N -1 0 352.376 -0.441 20 0 FBADRM COC1(C(=O)[N-]S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000842675868 661190992 /nfs/dbraw/zinc/19/09/92/661190992.db2.gz FHGBYICGNQYPOI-UHFFFAOYSA-N -1 0 352.368 -0.092 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2C(=O)C2CC2)cc1C(N)=O ZINC000842675892 661190940 /nfs/dbraw/zinc/19/09/40/661190940.db2.gz YOJAJRGOOYZYLR-NSHDSACASA-N -1 0 368.415 -0.670 20 0 FBADRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000842677203 661191089 /nfs/dbraw/zinc/19/10/89/661191089.db2.gz FEOOSJVCVVKAAO-GFCCVEGCSA-N -1 0 361.445 -0.487 20 0 FBADRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000842677204 661191125 /nfs/dbraw/zinc/19/11/25/661191125.db2.gz FEOOSJVCVVKAAO-LBPRGKRZSA-N -1 0 361.445 -0.487 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2noc3ccccc32)S1(=O)=O ZINC000842677832 661191143 /nfs/dbraw/zinc/19/11/43/661191143.db2.gz YCNBMQHZDMHNSG-GFCCVEGCSA-N -1 0 373.412 -0.192 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2noc3ccccc32)S1(=O)=O ZINC000842677833 661191001 /nfs/dbraw/zinc/19/10/01/661191001.db2.gz YCNBMQHZDMHNSG-LBPRGKRZSA-N -1 0 373.412 -0.192 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)S1(=O)=O ZINC000842678046 661190960 /nfs/dbraw/zinc/19/09/60/661190960.db2.gz SEQFYSJONUMVJT-LLVKDONJSA-N -1 0 350.393 -0.194 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)S1(=O)=O ZINC000842678047 661191163 /nfs/dbraw/zinc/19/11/63/661191163.db2.gz SEQFYSJONUMVJT-NSHDSACASA-N -1 0 350.393 -0.194 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)S1(=O)=O ZINC000842682179 661191159 /nfs/dbraw/zinc/19/11/59/661191159.db2.gz OSDNKEKKNJAISP-JTQLQIEISA-N -1 0 354.356 -0.196 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)S1(=O)=O ZINC000842682180 661191137 /nfs/dbraw/zinc/19/11/37/661191137.db2.gz OSDNKEKKNJAISP-SNVBAGLBSA-N -1 0 354.356 -0.196 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)C23CC(C(=O)OC)(C2)C3)CC1 ZINC000842696628 661191286 /nfs/dbraw/zinc/19/12/86/661191286.db2.gz HBAPLUSADQJECU-UHFFFAOYSA-N -1 0 374.415 -0.424 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CCc2ccnc(C)n2)CC1 ZINC000842697069 661191481 /nfs/dbraw/zinc/19/14/81/661191481.db2.gz LOCMLAZTKYDZNX-UHFFFAOYSA-N -1 0 370.431 -0.036 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cn(C3CCC3)nn2)CC1 ZINC000842697406 661191396 /nfs/dbraw/zinc/19/13/96/661191396.db2.gz OGNPAFFVONYNDT-UHFFFAOYSA-N -1 0 371.419 -0.137 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cc(OC)ccn2)CC1 ZINC000842698177 661191324 /nfs/dbraw/zinc/19/13/24/661191324.db2.gz WWWOHKUWYFVFGL-UHFFFAOYSA-N -1 0 357.388 -0.050 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)S1(=O)=O ZINC000842705544 661191694 /nfs/dbraw/zinc/19/16/94/661191694.db2.gz PIXNEHQVTPROMK-GFCCVEGCSA-N -1 0 359.429 -0.556 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)S1(=O)=O ZINC000842705545 661191883 /nfs/dbraw/zinc/19/18/83/661191883.db2.gz PIXNEHQVTPROMK-LBPRGKRZSA-N -1 0 359.429 -0.556 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)S1(=O)=O ZINC000842705973 661191832 /nfs/dbraw/zinc/19/18/32/661191832.db2.gz IDMXPVFZIRKPDT-SECBINFHSA-N -1 0 367.836 -0.285 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)S1(=O)=O ZINC000842705974 661191871 /nfs/dbraw/zinc/19/18/71/661191871.db2.gz IDMXPVFZIRKPDT-VIFPVBQESA-N -1 0 367.836 -0.285 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)N2CCCc3ccccc32)S1(=O)=O ZINC000842706547 661191847 /nfs/dbraw/zinc/19/18/47/661191847.db2.gz HJBJTTFHHRPDEL-CYBMUJFWSA-N -1 0 373.456 -0.166 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)N2CCCc3ccccc32)S1(=O)=O ZINC000842706549 661191738 /nfs/dbraw/zinc/19/17/38/661191738.db2.gz HJBJTTFHHRPDEL-ZDUSSCGKSA-N -1 0 373.456 -0.166 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)N2CCc3ccccc3C2)S1(=O)=O ZINC000842706675 661191807 /nfs/dbraw/zinc/19/18/07/661191807.db2.gz IOKVDURGQBBTKS-CYBMUJFWSA-N -1 0 373.456 -0.560 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)N2CCc3ccccc3C2)S1(=O)=O ZINC000842706676 661191866 /nfs/dbraw/zinc/19/18/66/661191866.db2.gz IOKVDURGQBBTKS-ZDUSSCGKSA-N -1 0 373.456 -0.560 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)C12CC(C(=O)OC)(C1)C2 ZINC000842710970 661191775 /nfs/dbraw/zinc/19/17/75/661191775.db2.gz ULRDJNXEHJOREV-ISAOAKOHSA-N -1 0 374.415 -0.282 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)C12CC(C(=O)OC)(C1)C2 ZINC000842710976 661191882 /nfs/dbraw/zinc/19/18/82/661191882.db2.gz ULRDJNXEHJOREV-SFNBMPIDSA-N -1 0 374.415 -0.282 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000842715049 661191881 /nfs/dbraw/zinc/19/18/81/661191881.db2.gz ZJQLKHWPZMLARM-DTORHVGOSA-N -1 0 350.393 -0.091 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)cn2)S1(=O)=O ZINC000842715629 661191828 /nfs/dbraw/zinc/19/18/28/661191828.db2.gz IMCVJXQBYZOXNZ-MRVPVSSYSA-N -1 0 353.809 -0.426 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)cn2)S1(=O)=O ZINC000842715631 661191888 /nfs/dbraw/zinc/19/18/88/661191888.db2.gz IMCVJXQBYZOXNZ-QMMMGPOBSA-N -1 0 353.809 -0.426 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)Cn1nnnc1-c1ccsc1 ZINC000842715775 661191861 /nfs/dbraw/zinc/19/18/61/661191861.db2.gz GHIHGYVJQKVDJN-UHFFFAOYSA-N -1 0 373.416 -0.199 20 0 FBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)c3ccc(C(N)=O)s3)(C1)C2 ZINC000842716112 661192225 /nfs/dbraw/zinc/19/22/25/661192225.db2.gz PQQJYEPQEFYBCT-UHFFFAOYSA-N -1 0 358.397 -0.005 20 0 FBADRM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)C1 ZINC000842722727 661192243 /nfs/dbraw/zinc/19/22/43/661192243.db2.gz MITRFEIIEBUORS-PHIMTYICSA-N -1 0 363.436 -0.017 20 0 FBADRM O=C(Cn1nnnc1-c1ccsc1)[N-]S(=O)(=O)N1CCOCC1 ZINC000842723710 661192057 /nfs/dbraw/zinc/19/20/57/661192057.db2.gz YBRWDMLWPCMFIB-UHFFFAOYSA-N -1 0 358.405 -0.905 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)CCOc2ccccc2)S1(=O)=O ZINC000842725038 661192154 /nfs/dbraw/zinc/19/21/54/661192154.db2.gz NWKZBTVPQQTLNN-GFCCVEGCSA-N -1 0 362.429 -0.455 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)CCOc2ccccc2)S1(=O)=O ZINC000842725042 661192188 /nfs/dbraw/zinc/19/21/88/661192188.db2.gz NWKZBTVPQQTLNN-LBPRGKRZSA-N -1 0 362.429 -0.455 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)S2(=O)=O)c(F)c1 ZINC000842727468 661192229 /nfs/dbraw/zinc/19/22/29/661192229.db2.gz JDWIZWOBJVWJSH-LLVKDONJSA-N -1 0 350.393 -0.027 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)S2(=O)=O)c(F)c1 ZINC000842727472 661192146 /nfs/dbraw/zinc/19/21/46/661192146.db2.gz JDWIZWOBJVWJSH-NSHDSACASA-N -1 0 350.393 -0.027 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cn1nnnc1-c1ccsc1 ZINC000842734242 661192166 /nfs/dbraw/zinc/19/21/66/661192166.db2.gz ANHURGAGPWSPFO-UHFFFAOYSA-N -1 0 360.421 -0.659 20 0 FBADRM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)S2(=O)=O)c1 ZINC000842734961 661192101 /nfs/dbraw/zinc/19/21/01/661192101.db2.gz IRSLAAWECQXRRA-LLVKDONJSA-N -1 0 350.393 -0.027 20 0 FBADRM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)S2(=O)=O)c1 ZINC000842734962 661192044 /nfs/dbraw/zinc/19/20/44/661192044.db2.gz IRSLAAWECQXRRA-NSHDSACASA-N -1 0 350.393 -0.027 20 0 FBADRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)S2(=O)=O)c1 ZINC000842740411 661192184 /nfs/dbraw/zinc/19/21/84/661192184.db2.gz BSZQSKXSDNPIIH-SECBINFHSA-N -1 0 350.422 -0.697 20 0 FBADRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)S2(=O)=O)c1 ZINC000842740422 661192050 /nfs/dbraw/zinc/19/20/50/661192050.db2.gz BSZQSKXSDNPIIH-VIFPVBQESA-N -1 0 350.422 -0.697 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2cncc(Cl)c2)S1(=O)=O ZINC000842741327 661192129 /nfs/dbraw/zinc/19/21/29/661192129.db2.gz DSUIFCNLKLJIEV-SECBINFHSA-N -1 0 353.809 -0.426 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(Cl)c2)S1(=O)=O ZINC000842741329 661192026 /nfs/dbraw/zinc/19/20/26/661192026.db2.gz DSUIFCNLKLJIEV-VIFPVBQESA-N -1 0 353.809 -0.426 20 0 FBADRM C[C@](O)(CNC(=O)CCNS(=O)(=O)/C=C/c1ccccc1)C(=O)[O-] ZINC000842743420 661192217 /nfs/dbraw/zinc/19/22/17/661192217.db2.gz DQKMOCKEWNLMRO-HQPKTYMTSA-N -1 0 356.400 -0.081 20 0 FBADRM C[C@@](O)(CNC(=O)CCNS(=O)(=O)/C=C/c1ccccc1)C(=O)[O-] ZINC000842743421 661192417 /nfs/dbraw/zinc/19/24/17/661192417.db2.gz DQKMOCKEWNLMRO-TUPIDYKKSA-N -1 0 356.400 -0.081 20 0 FBADRM C[C@@](O)(CNC(=O)CCNS(=O)(=O)/C=C\c1ccccc1)C(=O)[O-] ZINC000842743422 661192476 /nfs/dbraw/zinc/19/24/76/661192476.db2.gz DQKMOCKEWNLMRO-WKTRQSJXSA-N -1 0 356.400 -0.081 20 0 FBADRM C[C@](O)(CNC(=O)CCNS(=O)(=O)/C=C\c1ccccc1)C(=O)[O-] ZINC000842743423 661192542 /nfs/dbraw/zinc/19/25/42/661192542.db2.gz DQKMOCKEWNLMRO-WWRUEGTHSA-N -1 0 356.400 -0.081 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2c(F)cccc2F)S1(=O)=O ZINC000842744002 661192451 /nfs/dbraw/zinc/19/24/51/661192451.db2.gz NEDKAUPXNLTZRV-LLVKDONJSA-N -1 0 368.383 -0.055 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2c(F)cccc2F)S1(=O)=O ZINC000842744004 661192575 /nfs/dbraw/zinc/19/25/75/661192575.db2.gz NEDKAUPXNLTZRV-NSHDSACASA-N -1 0 368.383 -0.055 20 0 FBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)c3nnc(NC(C)=O)s3)(C1)C2 ZINC000842745558 661192409 /nfs/dbraw/zinc/19/24/09/661192409.db2.gz KNULHHQGAYBNQA-UHFFFAOYSA-N -1 0 374.400 -0.355 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)S1(=O)=O ZINC000842745719 661192424 /nfs/dbraw/zinc/19/24/24/661192424.db2.gz DUXDDLOYFXLVTI-SSDOTTSWSA-N -1 0 352.356 -0.191 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)S1(=O)=O ZINC000842745720 661192495 /nfs/dbraw/zinc/19/24/95/661192495.db2.gz DUXDDLOYFXLVTI-ZETCQYMHSA-N -1 0 352.356 -0.191 20 0 FBADRM O=C(Cn1nnnc1-c1ccsc1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000842746540 661192527 /nfs/dbraw/zinc/19/25/27/661192527.db2.gz FNPFPZKEDJNGTH-SECBINFHSA-N -1 0 357.417 -0.116 20 0 FBADRM O=C(Cn1nnnc1-c1ccsc1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000842746545 661192479 /nfs/dbraw/zinc/19/24/79/661192479.db2.gz FNPFPZKEDJNGTH-VIFPVBQESA-N -1 0 357.417 -0.116 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2cn(C3CCC3)nn2)s1 ZINC000842747181 661192413 /nfs/dbraw/zinc/19/24/13/661192413.db2.gz SZTLGKVCVGYUTI-UHFFFAOYSA-N -1 0 371.404 -0.068 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)S1(=O)=O ZINC000842747801 661192446 /nfs/dbraw/zinc/19/24/46/661192446.db2.gz LRHGYBDMERACRE-CYBMUJFWSA-N -1 0 374.440 -0.150 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)S1(=O)=O ZINC000842747803 661192498 /nfs/dbraw/zinc/19/24/98/661192498.db2.gz LRHGYBDMERACRE-ZDUSSCGKSA-N -1 0 374.440 -0.150 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)Cn1nnnc1-c1ccsc1 ZINC000842749261 661192518 /nfs/dbraw/zinc/19/25/18/661192518.db2.gz MIWALDJTMRPIGC-UHFFFAOYSA-N -1 0 359.389 -0.589 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)S2(=O)=O)nc1C ZINC000842749301 661192578 /nfs/dbraw/zinc/19/25/78/661192578.db2.gz NFYPVMNGZSVTPF-SECBINFHSA-N -1 0 350.422 -0.950 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)S2(=O)=O)nc1C ZINC000842749309 661192384 /nfs/dbraw/zinc/19/23/84/661192384.db2.gz NFYPVMNGZSVTPF-VIFPVBQESA-N -1 0 350.422 -0.950 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)S1(=O)=O ZINC000842749470 661192539 /nfs/dbraw/zinc/19/25/39/661192539.db2.gz CPEXIXOVZCVSOX-LLVKDONJSA-N -1 0 362.385 -0.746 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)S1(=O)=O ZINC000842749475 661192371 /nfs/dbraw/zinc/19/23/71/661192371.db2.gz CPEXIXOVZCVSOX-NSHDSACASA-N -1 0 362.385 -0.746 20 0 FBADRM CCOc1ccccc1S(=O)(=O)[N-]C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000842749939 661192561 /nfs/dbraw/zinc/19/25/61/661192561.db2.gz KBRHXQUFONWVRO-GFCCVEGCSA-N -1 0 362.429 -0.076 20 0 FBADRM CCOc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000842749941 661192404 /nfs/dbraw/zinc/19/24/04/661192404.db2.gz KBRHXQUFONWVRO-LBPRGKRZSA-N -1 0 362.429 -0.076 20 0 FBADRM COCc1ccccc1S(=O)(=O)[N-]C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000842751667 661192442 /nfs/dbraw/zinc/19/24/42/661192442.db2.gz JCQPFXNGHKAEAO-GFCCVEGCSA-N -1 0 362.429 -0.328 20 0 FBADRM COCc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000842751668 661192513 /nfs/dbraw/zinc/19/25/13/661192513.db2.gz JCQPFXNGHKAEAO-LBPRGKRZSA-N -1 0 362.429 -0.328 20 0 FBADRM CN1CC[C@H](C(=O)OCCOCC[N-]C(=O)C(F)(F)F)S1(=O)=O ZINC000842751749 661192485 /nfs/dbraw/zinc/19/24/85/661192485.db2.gz MCHWYIFXROGGFT-MRVPVSSYSA-N -1 0 362.326 -0.741 20 0 FBADRM CN1CC[C@@H](C(=O)OCCOCC[N-]C(=O)C(F)(F)F)S1(=O)=O ZINC000842751750 661192503 /nfs/dbraw/zinc/19/25/03/661192503.db2.gz MCHWYIFXROGGFT-QMMMGPOBSA-N -1 0 362.326 -0.741 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccnc(Cl)c2)S1(=O)=O ZINC000842751842 661192566 /nfs/dbraw/zinc/19/25/66/661192566.db2.gz OZKUQUWXLSDAIW-MRVPVSSYSA-N -1 0 353.809 -0.426 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccnc(Cl)c2)S1(=O)=O ZINC000842751843 661192433 /nfs/dbraw/zinc/19/24/33/661192433.db2.gz OZKUQUWXLSDAIW-QMMMGPOBSA-N -1 0 353.809 -0.426 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)COC3)S1(=O)=O ZINC000842752288 661192376 /nfs/dbraw/zinc/19/23/76/661192376.db2.gz JYMCKUXVMPJKLD-GFCCVEGCSA-N -1 0 360.413 -0.444 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)COC3)S1(=O)=O ZINC000842752289 661192530 /nfs/dbraw/zinc/19/25/30/661192530.db2.gz JYMCKUXVMPJKLD-LBPRGKRZSA-N -1 0 360.413 -0.444 20 0 FBADRM CC(C)(C)OC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC1 ZINC000842753314 661192573 /nfs/dbraw/zinc/19/25/73/661192573.db2.gz DMFYQKDKSQLPNC-JTQLQIEISA-N -1 0 363.436 -0.045 20 0 FBADRM CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC1 ZINC000842753316 661192397 /nfs/dbraw/zinc/19/23/97/661192397.db2.gz DMFYQKDKSQLPNC-SNVBAGLBSA-N -1 0 363.436 -0.045 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)S2(=O)=O)c1 ZINC000842754145 661192570 /nfs/dbraw/zinc/19/25/70/661192570.db2.gz PECBASQEQRWKGW-JTQLQIEISA-N -1 0 364.449 -0.622 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)S2(=O)=O)c1 ZINC000842754148 661192546 /nfs/dbraw/zinc/19/25/46/661192546.db2.gz PECBASQEQRWKGW-SNVBAGLBSA-N -1 0 364.449 -0.622 20 0 FBADRM C[C@@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)n1cc(Br)cn1 ZINC000842754556 661192381 /nfs/dbraw/zinc/19/23/81/661192381.db2.gz PWINGGOSNRICOD-LURJTMIESA-N -1 0 353.198 -0.472 20 0 FBADRM C[C@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)n1cc(Br)cn1 ZINC000842754560 661110052 /nfs/dbraw/zinc/11/00/52/661110052.db2.gz PWINGGOSNRICOD-ZCFIWIBFSA-N -1 0 353.198 -0.472 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1nnnc1-c1ccsc1 ZINC000842755897 661192556 /nfs/dbraw/zinc/19/25/56/661192556.db2.gz JLZOKQKKMYUKQB-SSDOTTSWSA-N -1 0 359.389 -0.591 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cn1nnnc1-c1ccsc1 ZINC000842755898 661192388 /nfs/dbraw/zinc/19/23/88/661192388.db2.gz JLZOKQKKMYUKQB-ZETCQYMHSA-N -1 0 359.389 -0.591 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(F)c2)S1(=O)=O ZINC000842756507 661192394 /nfs/dbraw/zinc/19/23/94/661192394.db2.gz ODBFZWYRBPNIQR-LLVKDONJSA-N -1 0 350.393 -0.194 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(F)c2)S1(=O)=O ZINC000842756508 661192552 /nfs/dbraw/zinc/19/25/52/661192552.db2.gz ODBFZWYRBPNIQR-NSHDSACASA-N -1 0 350.393 -0.194 20 0 FBADRM COc1cccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCN(C)S2(=O)=O)c1 ZINC000842757546 661192936 /nfs/dbraw/zinc/19/29/36/661192936.db2.gz VSZSFYNCTIBWBS-GFCCVEGCSA-N -1 0 362.429 -0.325 20 0 FBADRM COc1cccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)S2(=O)=O)c1 ZINC000842757547 661192818 /nfs/dbraw/zinc/19/28/18/661192818.db2.gz VSZSFYNCTIBWBS-LBPRGKRZSA-N -1 0 362.429 -0.325 20 0 FBADRM COc1ccccc1CS(=O)(=O)[N-]C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000842758229 661192835 /nfs/dbraw/zinc/19/28/35/661192835.db2.gz HJKDNEXVABDRKB-GFCCVEGCSA-N -1 0 362.429 -0.325 20 0 FBADRM COc1ccccc1CS(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000842758230 661192815 /nfs/dbraw/zinc/19/28/15/661192815.db2.gz HJKDNEXVABDRKB-LBPRGKRZSA-N -1 0 362.429 -0.325 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)S2(=O)=O)cn1 ZINC000842759602 661192885 /nfs/dbraw/zinc/19/28/85/661192885.db2.gz QUPPCCUJVJMRCS-JTQLQIEISA-N -1 0 363.417 -0.681 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)S2(=O)=O)cn1 ZINC000842759605 661192872 /nfs/dbraw/zinc/19/28/72/661192872.db2.gz QUPPCCUJVJMRCS-SNVBAGLBSA-N -1 0 363.417 -0.681 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)COCC(=O)OC(C)(C)C ZINC000842765174 661192932 /nfs/dbraw/zinc/19/29/32/661192932.db2.gz KTQGOYHDEYOYRT-NXEZZACHSA-N -1 0 367.420 -0.012 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)COCC(=O)OC(C)(C)C ZINC000842765175 661192837 /nfs/dbraw/zinc/19/28/37/661192837.db2.gz KTQGOYHDEYOYRT-UWVGGRQHSA-N -1 0 367.420 -0.012 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)COCC(=O)OC(C)(C)C ZINC000842765176 661192794 /nfs/dbraw/zinc/19/27/94/661192794.db2.gz KTQGOYHDEYOYRT-VHSXEESVSA-N -1 0 367.420 -0.012 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)COCC(=O)OC(C)(C)C ZINC000842765177 661192864 /nfs/dbraw/zinc/19/28/64/661192864.db2.gz KTQGOYHDEYOYRT-ZJUUUORDSA-N -1 0 367.420 -0.012 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(F)c2F)S1(=O)=O ZINC000842765957 661192822 /nfs/dbraw/zinc/19/28/22/661192822.db2.gz KBIBEQWVMOMZOM-SECBINFHSA-N -1 0 354.356 -0.196 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(F)c2F)S1(=O)=O ZINC000842765958 661192877 /nfs/dbraw/zinc/19/28/77/661192877.db2.gz KBIBEQWVMOMZOM-VIFPVBQESA-N -1 0 354.356 -0.196 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1nc(C2CC2)nn1C ZINC000842766632 661192768 /nfs/dbraw/zinc/19/27/68/661192768.db2.gz VIUZKFMZLIPTQL-BDAKNGLRSA-N -1 0 358.420 -0.121 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1nc(C2CC2)nn1C ZINC000842766633 661192895 /nfs/dbraw/zinc/19/28/95/661192895.db2.gz VIUZKFMZLIPTQL-DTWKUNHWSA-N -1 0 358.420 -0.121 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1nc(C2CC2)nn1C ZINC000842766635 661192805 /nfs/dbraw/zinc/19/28/05/661192805.db2.gz VIUZKFMZLIPTQL-IUCAKERBSA-N -1 0 358.420 -0.121 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1nc(C2CC2)nn1C ZINC000842766637 661192927 /nfs/dbraw/zinc/19/29/27/661192927.db2.gz VIUZKFMZLIPTQL-RKDXNWHRSA-N -1 0 358.420 -0.121 20 0 FBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)c3c(C)nn(C)c3OC)(C1)C2 ZINC000842766922 661192856 /nfs/dbraw/zinc/19/28/56/661192856.db2.gz HSSLFCXCSYAATA-UHFFFAOYSA-N -1 0 357.388 -0.115 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000842769872 661192867 /nfs/dbraw/zinc/19/28/67/661192867.db2.gz GKIYQVRMKYFLRE-DTORHVGOSA-N -1 0 359.408 -0.077 20 0 FBADRM CC(C)(C)OC(=O)COCC(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000842769985 661192917 /nfs/dbraw/zinc/19/29/17/661192917.db2.gz HUXFIIRVZFBLCX-UHFFFAOYSA-N -1 0 359.404 -0.008 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2cnn(CC3CC3)c2)S1(=O)=O ZINC000842770325 661192902 /nfs/dbraw/zinc/19/29/02/661192902.db2.gz QULQPEBGSJHXRD-LLVKDONJSA-N -1 0 362.433 -0.868 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn(CC3CC3)c2)S1(=O)=O ZINC000842770326 661193341 /nfs/dbraw/zinc/19/33/41/661193341.db2.gz QULQPEBGSJHXRD-NSHDSACASA-N -1 0 362.433 -0.868 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCO3)S1(=O)=O ZINC000842785586 661193338 /nfs/dbraw/zinc/19/33/38/661193338.db2.gz ITTRZXKMKUCHNY-GFCCVEGCSA-N -1 0 360.413 -0.540 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCO3)S1(=O)=O ZINC000842785588 661193313 /nfs/dbraw/zinc/19/33/13/661193313.db2.gz ITTRZXKMKUCHNY-LBPRGKRZSA-N -1 0 360.413 -0.540 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)S2(=O)=O)c(C)c1 ZINC000842790704 661193218 /nfs/dbraw/zinc/19/32/18/661193218.db2.gz MCHSSWYNJOITNM-GFCCVEGCSA-N -1 0 362.429 -0.158 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)S2(=O)=O)c(C)c1 ZINC000842790705 661193346 /nfs/dbraw/zinc/19/33/46/661193346.db2.gz MCHSSWYNJOITNM-LBPRGKRZSA-N -1 0 362.429 -0.158 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000842791918 661193187 /nfs/dbraw/zinc/19/31/87/661193187.db2.gz GKHQGZCCVUOJTA-NXEZZACHSA-N -1 0 370.449 -0.802 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000842791923 661193093 /nfs/dbraw/zinc/19/30/93/661193093.db2.gz GKHQGZCCVUOJTA-UWVGGRQHSA-N -1 0 370.449 -0.802 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000842791925 661193270 /nfs/dbraw/zinc/19/32/70/661193270.db2.gz GKHQGZCCVUOJTA-VHSXEESVSA-N -1 0 370.449 -0.802 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000842791926 661193344 /nfs/dbraw/zinc/19/33/44/661193344.db2.gz GKHQGZCCVUOJTA-ZJUUUORDSA-N -1 0 370.449 -0.802 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000842793252 661193279 /nfs/dbraw/zinc/19/32/79/661193279.db2.gz PVUMTTOZJFHTIM-JTQLQIEISA-N -1 0 367.474 -0.526 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)[N-]C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000842793255 661193303 /nfs/dbraw/zinc/19/33/03/661193303.db2.gz PVUMTTOZJFHTIM-SNVBAGLBSA-N -1 0 367.474 -0.526 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)Cn1nnnc1-c1ccsc1 ZINC000842797327 661193132 /nfs/dbraw/zinc/19/31/32/661193132.db2.gz IRBALXYWBFTFDR-UHFFFAOYSA-N -1 0 367.416 -0.051 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)Cn1nnnc1-c1ccsc1 ZINC000842797489 661193191 /nfs/dbraw/zinc/19/31/91/661193191.db2.gz JXWJPSJFEFFISS-UHFFFAOYSA-N -1 0 359.389 -0.589 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)Cc1nc(C2CC2)nn1C ZINC000842801211 661193306 /nfs/dbraw/zinc/19/33/06/661193306.db2.gz HCDHICOJODKFEE-UHFFFAOYSA-N -1 0 358.420 -0.120 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)COCC(=O)OC(C)(C)C ZINC000842802202 661193242 /nfs/dbraw/zinc/19/32/42/661193242.db2.gz YIRIUBRGDAMLQF-UHFFFAOYSA-N -1 0 367.420 -0.010 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cn(C3CCC3)nn2)CC1 ZINC000842802731 661193462 /nfs/dbraw/zinc/19/34/62/661193462.db2.gz BIWVLYMNUZJSBO-UHFFFAOYSA-N -1 0 356.408 -0.858 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)Cn2nnnc2-c2ccsc2)cnn1C ZINC000842803099 661193575 /nfs/dbraw/zinc/19/35/75/661193575.db2.gz GIKQICSDKBONDS-UHFFFAOYSA-N -1 0 367.416 -0.051 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3ncncc3C2)CC1 ZINC000842803113 661193591 /nfs/dbraw/zinc/19/35/91/661193591.db2.gz GYHKLNHPXPEZHO-GFCCVEGCSA-N -1 0 367.431 -0.893 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CCc3ncncc3C2)CC1 ZINC000842803114 661193587 /nfs/dbraw/zinc/19/35/87/661193587.db2.gz GYHKLNHPXPEZHO-LBPRGKRZSA-N -1 0 367.431 -0.893 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCc2ccnc(C)n2)CC1 ZINC000842803571 661193538 /nfs/dbraw/zinc/19/35/38/661193538.db2.gz KJMIACPBQWOIKU-UHFFFAOYSA-N -1 0 355.420 -0.757 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccnn2CC(C)C)CC1 ZINC000842803980 661193546 /nfs/dbraw/zinc/19/35/46/661193546.db2.gz MLSHZAAJHOTKOM-UHFFFAOYSA-N -1 0 357.436 -0.322 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cnn3c2C[C@H](C)CC3)CC1 ZINC000842804338 661193581 /nfs/dbraw/zinc/19/35/81/661193581.db2.gz ORJBMENOIKCEBG-LLVKDONJSA-N -1 0 369.447 -0.396 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cnn3c2C[C@@H](C)CC3)CC1 ZINC000842804339 661193534 /nfs/dbraw/zinc/19/35/34/661193534.db2.gz ORJBMENOIKCEBG-NSHDSACASA-N -1 0 369.447 -0.396 20 0 FBADRM CSc1cccc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)n1 ZINC000842804664 661193446 /nfs/dbraw/zinc/19/34/46/661193446.db2.gz RCHIRVCYEDPSPV-UHFFFAOYSA-N -1 0 358.445 -0.058 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)Cc2cnn3ccccc23)CC1 ZINC000842805411 661193560 /nfs/dbraw/zinc/19/35/60/661193560.db2.gz WFASDRPTGUZGCT-UHFFFAOYSA-N -1 0 365.415 -0.598 20 0 FBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)c3cnn4c3OCCC4)(C1)C2 ZINC000842807518 661193583 /nfs/dbraw/zinc/19/35/83/661193583.db2.gz ZAVRFSGWTSHZPO-UHFFFAOYSA-N -1 0 355.372 -0.186 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)Cn1nnnc1-c1ccsc1 ZINC000842807604 661193504 /nfs/dbraw/zinc/19/35/04/661193504.db2.gz WPCAVZGGPDSNIK-UHFFFAOYSA-N -1 0 367.416 -0.051 20 0 FBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)c3cnn([C@H]4CCOC4)c3)(C1)C2 ZINC000842809449 661193530 /nfs/dbraw/zinc/19/35/30/661193530.db2.gz GFIDXHFQUJXVOX-ISAOAKOHSA-N -1 0 369.399 -0.007 20 0 FBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)c3cnn([C@@H]4CCOC4)c3)(C1)C2 ZINC000842809450 661193536 /nfs/dbraw/zinc/19/35/36/661193536.db2.gz GFIDXHFQUJXVOX-SFNBMPIDSA-N -1 0 369.399 -0.007 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)S2(=O)=O)sc1C ZINC000842809575 661193487 /nfs/dbraw/zinc/19/34/87/661193487.db2.gz KWNVUBSVSOSLEV-MRVPVSSYSA-N -1 0 353.447 -0.401 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)S2(=O)=O)sc1C ZINC000842809576 661193535 /nfs/dbraw/zinc/19/35/35/661193535.db2.gz KWNVUBSVSOSLEV-QMMMGPOBSA-N -1 0 353.447 -0.401 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2nc(Cl)cs2)S1(=O)=O ZINC000842810471 661193573 /nfs/dbraw/zinc/19/35/73/661193573.db2.gz GSBVVELVSRVKQY-RXMQYKEDSA-N -1 0 359.838 -0.365 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2nc(Cl)cs2)S1(=O)=O ZINC000842810473 661193491 /nfs/dbraw/zinc/19/34/91/661193491.db2.gz GSBVVELVSRVKQY-YFKPBYRVSA-N -1 0 359.838 -0.365 20 0 FBADRM CC(C)n1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)S2(=O)=O)cn1 ZINC000842811135 661193563 /nfs/dbraw/zinc/19/35/63/661193563.db2.gz GAKQQAUNUVUERJ-JTQLQIEISA-N -1 0 350.422 -0.697 20 0 FBADRM CC(C)n1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)S2(=O)=O)cn1 ZINC000842811137 661193528 /nfs/dbraw/zinc/19/35/28/661193528.db2.gz GAKQQAUNUVUERJ-SNVBAGLBSA-N -1 0 350.422 -0.697 20 0 FBADRM CCc1csc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)S2(=O)=O)n1 ZINC000842813162 661193496 /nfs/dbraw/zinc/19/34/96/661193496.db2.gz MJESXLYLDJMNMW-MRVPVSSYSA-N -1 0 353.447 -0.456 20 0 FBADRM CCc1csc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)S2(=O)=O)n1 ZINC000842813163 661193537 /nfs/dbraw/zinc/19/35/37/661193537.db2.gz MJESXLYLDJMNMW-QMMMGPOBSA-N -1 0 353.447 -0.456 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)Cn2nnnc2-c2ccsc2)cn1C ZINC000842817615 661193602 /nfs/dbraw/zinc/19/36/02/661193602.db2.gz BNTAJLFVYNMMIA-UHFFFAOYSA-N -1 0 367.416 -0.051 20 0 FBADRM CC(C)c1nc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)S2(=O)=O)cn1C ZINC000842819296 661193599 /nfs/dbraw/zinc/19/35/99/661193599.db2.gz WBJCYMYZPPUNEY-SECBINFHSA-N -1 0 364.449 -0.618 20 0 FBADRM CC(C)c1nc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)S2(=O)=O)cn1C ZINC000842819297 661193500 /nfs/dbraw/zinc/19/35/00/661193500.db2.gz WBJCYMYZPPUNEY-VIFPVBQESA-N -1 0 364.449 -0.618 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc3c(c2)COC3)S1(=O)=O ZINC000842824663 661193807 /nfs/dbraw/zinc/19/38/07/661193807.db2.gz LWYCGOYEHDVHAK-CYBMUJFWSA-N -1 0 374.440 -0.303 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc3c(c2)COC3)S1(=O)=O ZINC000842824664 661193821 /nfs/dbraw/zinc/19/38/21/661193821.db2.gz LWYCGOYEHDVHAK-ZDUSSCGKSA-N -1 0 374.440 -0.303 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(F)c2F)S1(=O)=O ZINC000842871594 661193946 /nfs/dbraw/zinc/19/39/46/661193946.db2.gz TWIIRRYGBNUSHM-JTQLQIEISA-N -1 0 368.383 -0.055 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(F)c2F)S1(=O)=O ZINC000842871596 661193887 /nfs/dbraw/zinc/19/38/87/661193887.db2.gz TWIIRRYGBNUSHM-SNVBAGLBSA-N -1 0 368.383 -0.055 20 0 FBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC000842873685 661193771 /nfs/dbraw/zinc/19/37/71/661193771.db2.gz LYJWBBFXWOVPOM-UHFFFAOYSA-N -1 0 368.383 -0.054 20 0 FBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)Cc2cccc(F)c2F)c1=O ZINC000842874651 661193957 /nfs/dbraw/zinc/19/39/57/661193957.db2.gz FJTQQZNTNLXUER-UHFFFAOYSA-N -1 0 360.342 -0.104 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)Cc1cccc(F)c1F)S(C)(=O)=O ZINC000842875721 661194243 /nfs/dbraw/zinc/19/42/43/661194243.db2.gz OCFAFVNZEZKNKE-UHFFFAOYSA-N -1 0 356.372 -0.198 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)OC)oc2C)nn1 ZINC000842881398 661194203 /nfs/dbraw/zinc/19/42/03/661194203.db2.gz HJHWTGLRKXUCJM-UHFFFAOYSA-N -1 0 372.359 -0.269 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C(=O)CCc2cnn(C)n2)c(C)o1 ZINC000842881588 661194356 /nfs/dbraw/zinc/19/43/56/661194356.db2.gz JLUODXUILTURQC-UHFFFAOYSA-N -1 0 356.360 -0.059 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C(=O)CS(=O)(=O)C2CC2)c(C)o1 ZINC000842881655 661194169 /nfs/dbraw/zinc/19/41/69/661194169.db2.gz LHXYQALPXSMBMJ-UHFFFAOYSA-N -1 0 365.385 -0.243 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C(=O)CCn2ncn(C)c2=O)c(C)o1 ZINC000842881856 661194321 /nfs/dbraw/zinc/19/43/21/661194321.db2.gz LQIJZVFVNABODS-UHFFFAOYSA-N -1 0 372.359 -0.835 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O)c(C)o1 ZINC000842881879 661194346 /nfs/dbraw/zinc/19/43/46/661194346.db2.gz BGBQOCDBTLCBLO-UHFFFAOYSA-N -1 0 368.389 -0.929 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C(=O)Cn2cc(C(C)=O)nn2)c(C)o1 ZINC000842881882 661194216 /nfs/dbraw/zinc/19/42/16/661194216.db2.gz LUNWXVBHQINUQS-UHFFFAOYSA-N -1 0 370.343 -0.326 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN(C(N)=O)C2)c(C)o1 ZINC000842881956 661194281 /nfs/dbraw/zinc/19/42/81/661194281.db2.gz COPBNTFZYQCEMZ-SECBINFHSA-N -1 0 373.387 -0.030 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN(C(N)=O)C2)c(C)o1 ZINC000842881961 661194209 /nfs/dbraw/zinc/19/42/09/661194209.db2.gz COPBNTFZYQCEMZ-VIFPVBQESA-N -1 0 373.387 -0.030 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)c(C)o1 ZINC000842883779 661194179 /nfs/dbraw/zinc/19/41/79/661194179.db2.gz XWOLOFLNPKTJGV-UHFFFAOYSA-N -1 0 360.344 -0.962 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C(=O)CCn2cnccc2=O)c(C)o1 ZINC000842884038 661194314 /nfs/dbraw/zinc/19/43/14/661194314.db2.gz ZKCKIWRGSBMCHE-UHFFFAOYSA-N -1 0 369.355 -0.173 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000842884677 661194174 /nfs/dbraw/zinc/19/41/74/661194174.db2.gz LUWZZFXIGOMVHH-UHFFFAOYSA-N -1 0 362.360 -0.716 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C(=O)CCN2C(=O)CCC2=O)c(C)o1 ZINC000842884936 661194278 /nfs/dbraw/zinc/19/42/78/661194278.db2.gz VVXHAMZELFUTNV-UHFFFAOYSA-N -1 0 372.355 -0.281 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000842885096 661194269 /nfs/dbraw/zinc/19/42/69/661194269.db2.gz OPAFGXGAMRTFLI-JTQLQIEISA-N -1 0 360.388 -0.100 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000842885098 661194136 /nfs/dbraw/zinc/19/41/36/661194136.db2.gz OPAFGXGAMRTFLI-SNVBAGLBSA-N -1 0 360.388 -0.100 20 0 FBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000842902172 661194606 /nfs/dbraw/zinc/19/46/06/661194606.db2.gz TZFYOUXXIRSIOU-UHFFFAOYSA-N -1 0 357.312 -0.142 20 0 FBADRM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C(=O)CS(C)(=O)=O ZINC000842922955 661194650 /nfs/dbraw/zinc/19/46/50/661194650.db2.gz ZUXPDIWFBFTHIY-UHFFFAOYSA-N -1 0 369.804 -0.024 20 0 FBADRM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@H]2CCCCS2(=O)=O)CCC1 ZINC000843015584 661195370 /nfs/dbraw/zinc/19/53/70/661195370.db2.gz MZXCUWULARCERT-LLVKDONJSA-N -1 0 352.478 -0.116 20 0 FBADRM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCCCS2(=O)=O)CCC1 ZINC000843015586 661195576 /nfs/dbraw/zinc/19/55/76/661195576.db2.gz MZXCUWULARCERT-NSHDSACASA-N -1 0 352.478 -0.116 20 0 FBADRM CC[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1)C(=O)[O-] ZINC000843046785 661195865 /nfs/dbraw/zinc/19/58/65/661195865.db2.gz AYBLYRXCMIZHBH-NSHDSACASA-N -1 0 373.387 -0.214 20 0 FBADRM CCOC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000843054593 661195815 /nfs/dbraw/zinc/19/58/15/661195815.db2.gz VQBHCOVXFNUTDV-NEPJUHHUSA-N -1 0 355.391 -0.144 20 0 FBADRM CCOC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000843054594 661195776 /nfs/dbraw/zinc/19/57/76/661195776.db2.gz VQBHCOVXFNUTDV-NWDGAFQWSA-N -1 0 355.391 -0.144 20 0 FBADRM CCOC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000843054595 661195844 /nfs/dbraw/zinc/19/58/44/661195844.db2.gz VQBHCOVXFNUTDV-RYUDHWBXSA-N -1 0 355.391 -0.144 20 0 FBADRM CCOC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000843054596 661195893 /nfs/dbraw/zinc/19/58/93/661195893.db2.gz VQBHCOVXFNUTDV-VXGBXAGGSA-N -1 0 355.391 -0.144 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000843054810 661195853 /nfs/dbraw/zinc/19/58/53/661195853.db2.gz IZZGSIHRMRLURC-GHMZBOCLSA-N -1 0 362.448 -0.163 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000843054811 661195827 /nfs/dbraw/zinc/19/58/27/661195827.db2.gz IZZGSIHRMRLURC-MNOVXSKESA-N -1 0 362.448 -0.163 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000843054812 661195817 /nfs/dbraw/zinc/19/58/17/661195817.db2.gz IZZGSIHRMRLURC-QWRGUYRKSA-N -1 0 362.448 -0.163 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000843054813 661195828 /nfs/dbraw/zinc/19/58/28/661195828.db2.gz IZZGSIHRMRLURC-WDEREUQCSA-N -1 0 362.448 -0.163 20 0 FBADRM CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000843054835 661195839 /nfs/dbraw/zinc/19/58/39/661195839.db2.gz JXIGNVATDHBUSE-UHFFFAOYSA-N -1 0 362.448 -0.019 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N(CCS(C)(=O)=O)C2CC2)C[C@H]1C(=O)[O-] ZINC000843054944 661195797 /nfs/dbraw/zinc/19/57/97/661195797.db2.gz OQEOXSJAOJPEFL-CMPLNLGQSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N(CCS(C)(=O)=O)C2CC2)C[C@@H]1C(=O)[O-] ZINC000843054945 661195840 /nfs/dbraw/zinc/19/58/40/661195840.db2.gz OQEOXSJAOJPEFL-JQWIXIFHSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N(CCS(C)(=O)=O)C2CC2)C[C@@H]1C(=O)[O-] ZINC000843054946 661195863 /nfs/dbraw/zinc/19/58/63/661195863.db2.gz OQEOXSJAOJPEFL-PWSUYJOCSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N(CCS(C)(=O)=O)C2CC2)C[C@H]1C(=O)[O-] ZINC000843054947 661195825 /nfs/dbraw/zinc/19/58/25/661195825.db2.gz OQEOXSJAOJPEFL-ZYHUDNBSSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC3(COC(=O)N3)CC2)C[C@H]1C(=O)[O-] ZINC000843054953 661195826 /nfs/dbraw/zinc/19/58/26/661195826.db2.gz ORUCFWOYAJECGX-GHMZBOCLSA-N -1 0 353.375 -0.343 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC3(COC(=O)N3)CC2)C[C@@H]1C(=O)[O-] ZINC000843054954 661195822 /nfs/dbraw/zinc/19/58/22/661195822.db2.gz ORUCFWOYAJECGX-MNOVXSKESA-N -1 0 353.375 -0.343 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC3(COC(=O)N3)CC2)C[C@@H]1C(=O)[O-] ZINC000843054955 661195891 /nfs/dbraw/zinc/19/58/91/661195891.db2.gz ORUCFWOYAJECGX-QWRGUYRKSA-N -1 0 353.375 -0.343 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC3(COC(=O)N3)CC2)C[C@H]1C(=O)[O-] ZINC000843054956 661195842 /nfs/dbraw/zinc/19/58/42/661195842.db2.gz ORUCFWOYAJECGX-WDEREUQCSA-N -1 0 353.375 -0.343 20 0 FBADRM CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000843055061 661195812 /nfs/dbraw/zinc/19/58/12/661195812.db2.gz OUUZIPDSCPAFOT-UHFFFAOYSA-N -1 0 362.448 -0.019 20 0 FBADRM CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000843055063 661195850 /nfs/dbraw/zinc/19/58/50/661195850.db2.gz OXSCXOAXELHNIY-NEPJUHHUSA-N -1 0 362.448 -0.163 20 0 FBADRM CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000843055064 661195881 /nfs/dbraw/zinc/19/58/81/661195881.db2.gz OXSCXOAXELHNIY-NWDGAFQWSA-N -1 0 362.448 -0.163 20 0 FBADRM CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000843055065 661195820 /nfs/dbraw/zinc/19/58/20/661195820.db2.gz OXSCXOAXELHNIY-RYUDHWBXSA-N -1 0 362.448 -0.163 20 0 FBADRM CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000843055066 661196095 /nfs/dbraw/zinc/19/60/95/661196095.db2.gz OXSCXOAXELHNIY-VXGBXAGGSA-N -1 0 362.448 -0.163 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N(CCS(C)(=O)=O)C2CC2)CC1 ZINC000843055322 661196168 /nfs/dbraw/zinc/19/61/68/661196168.db2.gz YETKVHFANBFMNR-UHFFFAOYSA-N -1 0 360.432 -0.265 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)C1 ZINC000843056257 661196085 /nfs/dbraw/zinc/19/60/85/661196085.db2.gz GCZJILWOAOBIRM-KKOKHZNYSA-N -1 0 353.375 -0.488 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)C1 ZINC000843056258 661196199 /nfs/dbraw/zinc/19/61/99/661196199.db2.gz GCZJILWOAOBIRM-QCNOEVLYSA-N -1 0 353.375 -0.488 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)C1 ZINC000843056259 661196125 /nfs/dbraw/zinc/19/61/25/661196125.db2.gz GCZJILWOAOBIRM-USZNOCQGSA-N -1 0 353.375 -0.488 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)C1 ZINC000843056260 661196196 /nfs/dbraw/zinc/19/61/96/661196196.db2.gz GCZJILWOAOBIRM-WYUUTHIRSA-N -1 0 353.375 -0.488 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)C[C@H]1C(=O)[O-] ZINC000843056299 661196145 /nfs/dbraw/zinc/19/61/45/661196145.db2.gz HOHPJSQGPKVBPW-KKOKHZNYSA-N -1 0 353.375 -0.488 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)C[C@H]1C(=O)[O-] ZINC000843056300 661196161 /nfs/dbraw/zinc/19/61/61/661196161.db2.gz HOHPJSQGPKVBPW-QCNOEVLYSA-N -1 0 353.375 -0.488 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)C[C@@H]1C(=O)[O-] ZINC000843056301 661196031 /nfs/dbraw/zinc/19/60/31/661196031.db2.gz HOHPJSQGPKVBPW-USZNOCQGSA-N -1 0 353.375 -0.488 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)C[C@@H]1C(=O)[O-] ZINC000843056302 661196117 /nfs/dbraw/zinc/19/61/17/661196117.db2.gz HOHPJSQGPKVBPW-WYUUTHIRSA-N -1 0 353.375 -0.488 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)CC1 ZINC000843056381 661196058 /nfs/dbraw/zinc/19/60/58/661196058.db2.gz IFSUJVHVWFLHKG-MNOVXSKESA-N -1 0 353.375 -0.343 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](OC(=O)N(C)C)C2)C[C@H]1C(=O)[O-] ZINC000843056491 661196205 /nfs/dbraw/zinc/19/62/05/661196205.db2.gz NBMWUJRPDVIKIH-GRYCIOLGSA-N -1 0 355.391 -0.145 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](OC(=O)N(C)C)C2)C[C@H]1C(=O)[O-] ZINC000843056492 661196165 /nfs/dbraw/zinc/19/61/65/661196165.db2.gz NBMWUJRPDVIKIH-IJLUTSLNSA-N -1 0 355.391 -0.145 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](OC(=O)N(C)C)C2)C[C@@H]1C(=O)[O-] ZINC000843056493 661196051 /nfs/dbraw/zinc/19/60/51/661196051.db2.gz NBMWUJRPDVIKIH-UTUOFQBUSA-N -1 0 355.391 -0.145 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](OC(=O)N(C)C)C2)C[C@@H]1C(=O)[O-] ZINC000843056494 661196098 /nfs/dbraw/zinc/19/60/98/661196098.db2.gz NBMWUJRPDVIKIH-WOPDTQHZSA-N -1 0 355.391 -0.145 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)C[C@H]1C(=O)[O-] ZINC000843056520 661196152 /nfs/dbraw/zinc/19/61/52/661196152.db2.gz OZODRJBXOJLZFB-KKOKHZNYSA-N -1 0 353.375 -0.488 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)C[C@H]1C(=O)[O-] ZINC000843056521 661196091 /nfs/dbraw/zinc/19/60/91/661196091.db2.gz OZODRJBXOJLZFB-QCNOEVLYSA-N -1 0 353.375 -0.488 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)C[C@@H]1C(=O)[O-] ZINC000843056522 661196133 /nfs/dbraw/zinc/19/61/33/661196133.db2.gz OZODRJBXOJLZFB-USZNOCQGSA-N -1 0 353.375 -0.488 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)C[C@@H]1C(=O)[O-] ZINC000843056523 661196175 /nfs/dbraw/zinc/19/61/75/661196175.db2.gz OZODRJBXOJLZFB-WYUUTHIRSA-N -1 0 353.375 -0.488 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Cl)nnc3C2)CCO1 ZINC000843056526 661196063 /nfs/dbraw/zinc/19/60/63/661196063.db2.gz PCFCTQUOYYAKER-JTQLQIEISA-N -1 0 354.750 -0.673 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCc3cc(Cl)nnc3C2)CCO1 ZINC000843056527 661196158 /nfs/dbraw/zinc/19/61/58/661196158.db2.gz PCFCTQUOYYAKER-SNVBAGLBSA-N -1 0 354.750 -0.673 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)C1 ZINC000843056603 661196103 /nfs/dbraw/zinc/19/61/03/661196103.db2.gz SBJMBAFCPXMQMT-TUAOUCFPSA-N -1 0 353.375 -0.343 20 0 FBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)C1 ZINC000843056604 661196045 /nfs/dbraw/zinc/19/60/45/661196045.db2.gz SBJMBAFCPXMQMT-UTUOFQBUSA-N -1 0 353.375 -0.343 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)CC1 ZINC000843057538 661196079 /nfs/dbraw/zinc/19/60/79/661196079.db2.gz JNQSNLUFBHKFTQ-MNOVXSKESA-N -1 0 353.375 -0.343 20 0 FBADRM CN(C)C(=O)O[C@@H]1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C1 ZINC000843058806 661196164 /nfs/dbraw/zinc/19/61/64/661196164.db2.gz YNBIAVDCRMSBRL-LLVKDONJSA-N -1 0 355.391 -0.001 20 0 FBADRM CN(C)C(=O)O[C@H]1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C1 ZINC000843058807 661196038 /nfs/dbraw/zinc/19/60/38/661196038.db2.gz YNBIAVDCRMSBRL-NSHDSACASA-N -1 0 355.391 -0.001 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)CC2CC2)C[C@H]1C(=O)[O-] ZINC000843256714 661199664 /nfs/dbraw/zinc/19/96/64/661199664.db2.gz HXYWNLDYXDGZRI-CMPLNLGQSA-N -1 0 360.432 -0.503 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)CC2CC2)C[C@@H]1C(=O)[O-] ZINC000843256717 661199631 /nfs/dbraw/zinc/19/96/31/661199631.db2.gz HXYWNLDYXDGZRI-JQWIXIFHSA-N -1 0 360.432 -0.503 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)CC2CC2)C[C@@H]1C(=O)[O-] ZINC000843256720 661199597 /nfs/dbraw/zinc/19/95/97/661199597.db2.gz HXYWNLDYXDGZRI-PWSUYJOCSA-N -1 0 360.432 -0.503 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)CC2CC2)C[C@H]1C(=O)[O-] ZINC000843256723 661199562 /nfs/dbraw/zinc/19/95/62/661199562.db2.gz HXYWNLDYXDGZRI-ZYHUDNBSSA-N -1 0 360.432 -0.503 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)NCCS(=O)(=O)Cc1ccccc1 ZINC000843256793 661199676 /nfs/dbraw/zinc/19/96/76/661199676.db2.gz IWIPLWVGMYGPGN-UHFFFAOYSA-N -1 0 356.400 -0.301 20 0 FBADRM CCOC(=O)N1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000843256894 661199569 /nfs/dbraw/zinc/19/95/69/661199569.db2.gz IRCNLDVLYGEAFI-GRYCIOLGSA-N -1 0 355.391 -0.097 20 0 FBADRM CCOC(=O)N1CC[C@H](NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000843256897 661199594 /nfs/dbraw/zinc/19/95/94/661199594.db2.gz IRCNLDVLYGEAFI-SDDRHHMPSA-N -1 0 355.391 -0.097 20 0 FBADRM CCOC(=O)N1CC[C@H](NC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000843256900 661199567 /nfs/dbraw/zinc/19/95/67/661199567.db2.gz IRCNLDVLYGEAFI-SRVKXCTJSA-N -1 0 355.391 -0.097 20 0 FBADRM CCOC(=O)N1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000843256903 661199593 /nfs/dbraw/zinc/19/95/93/661199593.db2.gz IRCNLDVLYGEAFI-WOPDTQHZSA-N -1 0 355.391 -0.097 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCOc2cccnc2)CCOCC1 ZINC000843256971 661199626 /nfs/dbraw/zinc/19/96/26/661199626.db2.gz JMSAIHQKBYVZBE-UHFFFAOYSA-N -1 0 351.359 -0.426 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)NCCS(=O)(=O)CC2CC2)CC1 ZINC000843257010 661199530 /nfs/dbraw/zinc/19/95/30/661199530.db2.gz JUDHUZJIGQUQDO-UHFFFAOYSA-N -1 0 360.432 -0.359 20 0 FBADRM COC(=O)N1CCC[C@H](NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000843257261 661199674 /nfs/dbraw/zinc/19/96/74/661199674.db2.gz MOAWZHSITUSYMB-GRYCIOLGSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)N1CCC[C@H](NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000843257262 661199654 /nfs/dbraw/zinc/19/96/54/661199654.db2.gz MOAWZHSITUSYMB-SDDRHHMPSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)N1CCC[C@H](NC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000843257263 661199547 /nfs/dbraw/zinc/19/95/47/661199547.db2.gz MOAWZHSITUSYMB-SRVKXCTJSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)N1CCC[C@H](NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000843257264 661199579 /nfs/dbraw/zinc/19/95/79/661199579.db2.gz MOAWZHSITUSYMB-WOPDTQHZSA-N -1 0 355.391 -0.097 20 0 FBADRM CS(=O)(=O)CCNC(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000843257289 661199611 /nfs/dbraw/zinc/19/96/11/661199611.db2.gz OEFAGEXSEFFLKL-OLZOCXBDSA-N -1 0 368.411 -0.526 20 0 FBADRM COC(=O)N1CCC(NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000843257432 661199638 /nfs/dbraw/zinc/19/96/38/661199638.db2.gz QFHMZSPVRFTXEB-CMPLNLGQSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)N1CCC(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000843257433 661199557 /nfs/dbraw/zinc/19/95/57/661199557.db2.gz QFHMZSPVRFTXEB-JQWIXIFHSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)N1CCC(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000843257434 661199573 /nfs/dbraw/zinc/19/95/73/661199573.db2.gz QFHMZSPVRFTXEB-PWSUYJOCSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)N1CCC(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000843257435 661199634 /nfs/dbraw/zinc/19/96/34/661199634.db2.gz QFHMZSPVRFTXEB-ZYHUDNBSSA-N -1 0 355.391 -0.097 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)C[C@H]1C(=O)[O-] ZINC000843257665 661199605 /nfs/dbraw/zinc/19/96/05/661199605.db2.gz RVNPBHBJDCNQOI-GHMZBOCLSA-N -1 0 362.448 -0.115 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000843257666 661199576 /nfs/dbraw/zinc/19/95/76/661199576.db2.gz RVNPBHBJDCNQOI-MNOVXSKESA-N -1 0 362.448 -0.115 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000843257667 661199617 /nfs/dbraw/zinc/19/96/17/661199617.db2.gz RVNPBHBJDCNQOI-QWRGUYRKSA-N -1 0 362.448 -0.115 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)C[C@H]1C(=O)[O-] ZINC000843257668 661199588 /nfs/dbraw/zinc/19/95/88/661199588.db2.gz RVNPBHBJDCNQOI-WDEREUQCSA-N -1 0 362.448 -0.115 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)c1nnnn1C1CC1 ZINC000843257682 661199578 /nfs/dbraw/zinc/19/95/78/661199578.db2.gz SCTPKTYAVRZCAL-SECBINFHSA-N -1 0 350.379 -0.102 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)c1nnnn1C1CC1 ZINC000843257683 661199613 /nfs/dbraw/zinc/19/96/13/661199613.db2.gz SCTPKTYAVRZCAL-VIFPVBQESA-N -1 0 350.379 -0.102 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)C1 ZINC000843257714 661199660 /nfs/dbraw/zinc/19/96/60/661199660.db2.gz SYSRJSZXKVIVLJ-GRYCIOLGSA-N -1 0 356.375 -0.606 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)C1 ZINC000843257715 661199602 /nfs/dbraw/zinc/19/96/02/661199602.db2.gz SYSRJSZXKVIVLJ-WOPDTQHZSA-N -1 0 356.375 -0.606 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1nnnn1C1CC1 ZINC000843257858 661199595 /nfs/dbraw/zinc/19/95/95/661199595.db2.gz UQKGJTILMCVURJ-ATZCPNFKSA-N -1 0 350.379 -0.246 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1nnnn1C1CC1 ZINC000843257859 661199669 /nfs/dbraw/zinc/19/96/69/661199669.db2.gz UQKGJTILMCVURJ-QXEWZRGKSA-N -1 0 350.379 -0.246 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1nnnn1C1CC1 ZINC000843257860 661199862 /nfs/dbraw/zinc/19/98/62/661199862.db2.gz UQKGJTILMCVURJ-WCABBAIRSA-N -1 0 350.379 -0.246 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1nnnn1C1CC1 ZINC000843257861 661199967 /nfs/dbraw/zinc/19/99/67/661199967.db2.gz UQKGJTILMCVURJ-YWVKMMECSA-N -1 0 350.379 -0.246 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NC[C@H]2CSCCS2)CCOCC1 ZINC000843258071 661199891 /nfs/dbraw/zinc/19/98/91/661199891.db2.gz XNQGFWUBSBYXBE-JTQLQIEISA-N -1 0 362.473 -0.051 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NC[C@@H]2CSCCS2)CCOCC1 ZINC000843258072 661199943 /nfs/dbraw/zinc/19/99/43/661199943.db2.gz XNQGFWUBSBYXBE-SNVBAGLBSA-N -1 0 362.473 -0.051 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000843258149 661199860 /nfs/dbraw/zinc/19/98/60/661199860.db2.gz ZQGQUHUIPKRBNK-UHFFFAOYSA-N -1 0 371.415 -0.797 20 0 FBADRM Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)C(=O)NCCCC(=O)[O-])cn1 ZINC000843258590 661199886 /nfs/dbraw/zinc/19/98/86/661199886.db2.gz CFYUHCJFXCWPCL-CHWSQXEVSA-N -1 0 352.391 -0.184 20 0 FBADRM Cn1cc([C@@H](O)C[C@H]2CCCN2C(=O)C(=O)NCCCC(=O)[O-])cn1 ZINC000843258593 661199934 /nfs/dbraw/zinc/19/99/34/661199934.db2.gz CFYUHCJFXCWPCL-OLZOCXBDSA-N -1 0 352.391 -0.184 20 0 FBADRM Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)C(=O)NCCCC(=O)[O-])cn1 ZINC000843258596 661199955 /nfs/dbraw/zinc/19/99/55/661199955.db2.gz CFYUHCJFXCWPCL-QWHCGFSZSA-N -1 0 352.391 -0.184 20 0 FBADRM Cn1cc([C@@H](O)C[C@@H]2CCCN2C(=O)C(=O)NCCCC(=O)[O-])cn1 ZINC000843258599 661199941 /nfs/dbraw/zinc/19/99/41/661199941.db2.gz CFYUHCJFXCWPCL-STQMWFEESA-N -1 0 352.391 -0.184 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000843259064 661199970 /nfs/dbraw/zinc/19/99/70/661199970.db2.gz IVNJDUFFKGVROB-UHFFFAOYSA-N -1 0 367.324 -0.116 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1)C(=O)[O-] ZINC000843259508 661199950 /nfs/dbraw/zinc/19/99/50/661199950.db2.gz NSFGOTUBUHLYDI-UTUOFQBUSA-N -1 0 355.391 -0.194 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1)C(=O)[O-] ZINC000843259509 661199878 /nfs/dbraw/zinc/19/98/78/661199878.db2.gz NSFGOTUBUHLYDI-WOPDTQHZSA-N -1 0 355.391 -0.194 20 0 FBADRM CN(C(=O)C(=O)NCCCC(=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000843259536 661199874 /nfs/dbraw/zinc/19/98/74/661199874.db2.gz OWDVHWYSGLBXQL-MRVPVSSYSA-N -1 0 353.297 -0.411 20 0 FBADRM CN(C(=O)C(=O)NCCCC(=O)[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000843259537 661199953 /nfs/dbraw/zinc/19/99/53/661199953.db2.gz OWDVHWYSGLBXQL-QMMMGPOBSA-N -1 0 353.297 -0.411 20 0 FBADRM O=C([O-])C1CCC(NC(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)CC1 ZINC000843259558 661199865 /nfs/dbraw/zinc/19/98/65/661199865.db2.gz PKUYIOWYHCDGDI-RSJDFQLWSA-N -1 0 353.375 -0.297 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1)C(=O)[O-] ZINC000843259562 661199996 /nfs/dbraw/zinc/19/99/96/661199996.db2.gz PMLDGXOUIOMFOJ-MNOVXSKESA-N -1 0 355.391 -0.050 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000843260446 661199850 /nfs/dbraw/zinc/19/98/50/661199850.db2.gz YBMCEUUOBPUPOO-NEPJUHHUSA-N -1 0 354.359 -0.089 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000843260447 661199961 /nfs/dbraw/zinc/19/99/61/661199961.db2.gz YBMCEUUOBPUPOO-NWDGAFQWSA-N -1 0 354.359 -0.089 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000843260448 661199932 /nfs/dbraw/zinc/19/99/32/661199932.db2.gz YBMCEUUOBPUPOO-RYUDHWBXSA-N -1 0 354.359 -0.089 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000843260449 661199979 /nfs/dbraw/zinc/19/99/79/661199979.db2.gz YBMCEUUOBPUPOO-VXGBXAGGSA-N -1 0 354.359 -0.089 20 0 FBADRM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)NCCCCC(=O)[O-])C1 ZINC000843260455 661199871 /nfs/dbraw/zinc/19/98/71/661199871.db2.gz YEQNQJASYNBAAV-CYBMUJFWSA-N -1 0 367.324 -0.116 20 0 FBADRM CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C(=O)NCCCCC(=O)[O-])C1 ZINC000843260456 661199926 /nfs/dbraw/zinc/19/99/26/661199926.db2.gz YEQNQJASYNBAAV-ZDUSSCGKSA-N -1 0 367.324 -0.116 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N2CCC3(CC2)OCCO3)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC000843294127 661200591 /nfs/dbraw/zinc/20/05/91/661200591.db2.gz LVKHMRHIZWDOQP-GRYCIOLGSA-N -1 0 364.420 -0.368 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N2CCC3(CC2)OCCO3)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC000843294130 661200530 /nfs/dbraw/zinc/20/05/30/661200530.db2.gz LVKHMRHIZWDOQP-IJLUTSLNSA-N -1 0 364.420 -0.368 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N2CCC3(CC2)OCCO3)[C@H](C(=O)[O-])[C@@H](C)O1 ZINC000843294133 661200604 /nfs/dbraw/zinc/20/06/04/661200604.db2.gz LVKHMRHIZWDOQP-UTUOFQBUSA-N -1 0 364.420 -0.368 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)N2CCC3(CC2)OCCO3)[C@H](C(=O)[O-])[C@H](C)O1 ZINC000843294137 661200521 /nfs/dbraw/zinc/20/05/21/661200521.db2.gz LVKHMRHIZWDOQP-WOPDTQHZSA-N -1 0 364.420 -0.368 20 0 FBADRM CN(C1CCOCC1)S(=O)(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000843296397 661200496 /nfs/dbraw/zinc/20/04/96/661200496.db2.gz CCXHJEDJKZFHNB-GFCCVEGCSA-N -1 0 373.435 -0.031 20 0 FBADRM CN(C1CCOCC1)S(=O)(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000843296402 661200494 /nfs/dbraw/zinc/20/04/94/661200494.db2.gz CCXHJEDJKZFHNB-LBPRGKRZSA-N -1 0 373.435 -0.031 20 0 FBADRM COc1cc2c(c(OC)c1)S(=O)(=O)N(CC(=O)NCC(=O)[O-])C2=O ZINC000843302453 661200803 /nfs/dbraw/zinc/20/08/03/661200803.db2.gz MZOJSWJVWSBRPK-UHFFFAOYSA-N -1 0 358.328 -0.951 20 0 FBADRM O=C(N1CCOCC1)C(F)(F)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000843305553 661200874 /nfs/dbraw/zinc/20/08/74/661200874.db2.gz DAONEGUJFWHBAG-UHFFFAOYSA-N -1 0 359.333 -0.290 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)CCCC(=O)[O-])CC2)cn1C ZINC000843330228 661201207 /nfs/dbraw/zinc/20/12/07/661201207.db2.gz GDQIPPZIAANCIJ-UHFFFAOYSA-N -1 0 358.420 -0.184 20 0 FBADRM O=C([O-])COCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000843330593 661201254 /nfs/dbraw/zinc/20/12/54/661201254.db2.gz PBYZAQVQHKPLPR-AWEZNQCLSA-N -1 0 350.371 -0.326 20 0 FBADRM O=C([O-])COCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000843330594 661201258 /nfs/dbraw/zinc/20/12/58/661201258.db2.gz PBYZAQVQHKPLPR-CQSZACIVSA-N -1 0 350.371 -0.326 20 0 FBADRM O=C([O-])COCC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000843331759 661201128 /nfs/dbraw/zinc/20/11/28/661201128.db2.gz CMXHHCPLNAFYKT-UHFFFAOYSA-N -1 0 368.770 -0.025 20 0 FBADRM O=C([O-])COCC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000843332569 661201225 /nfs/dbraw/zinc/20/12/25/661201225.db2.gz QZPHPWPMLIJENC-UHFFFAOYSA-N -1 0 352.315 -0.540 20 0 FBADRM CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)COCC(=O)[O-])C2 ZINC000843333407 661201292 /nfs/dbraw/zinc/20/12/92/661201292.db2.gz ZDJJFKLJMLHFFX-UHFFFAOYSA-N -1 0 356.400 -0.077 20 0 FBADRM Cn1nccc1[C@@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)[O-] ZINC000843338330 661201106 /nfs/dbraw/zinc/20/11/06/661201106.db2.gz SNAFTYWXWFBBAN-GFCCVEGCSA-N -1 0 365.371 -0.840 20 0 FBADRM Cn1nccc1[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)[O-] ZINC000843338331 661201295 /nfs/dbraw/zinc/20/12/95/661201295.db2.gz SNAFTYWXWFBBAN-LBPRGKRZSA-N -1 0 365.371 -0.840 20 0 FBADRM COCCNC(=O)CNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000843487584 661203975 /nfs/dbraw/zinc/20/39/75/661203975.db2.gz RNNGBIIVJBTSTN-UHFFFAOYSA-N -1 0 350.400 -0.285 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000843689258 661205646 /nfs/dbraw/zinc/20/56/46/661205646.db2.gz BTOTUDVQNBBVBS-GFCCVEGCSA-N -1 0 372.365 -0.140 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000843689259 661205725 /nfs/dbraw/zinc/20/57/25/661205725.db2.gz BTOTUDVQNBBVBS-LBPRGKRZSA-N -1 0 372.365 -0.140 20 0 FBADRM CO[N-]C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000843769614 661206013 /nfs/dbraw/zinc/20/60/13/661206013.db2.gz JDHFDGMRKHJCRC-JTQLQIEISA-N -1 0 373.387 -0.952 20 0 FBADRM CO[N-]C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000843769625 661206059 /nfs/dbraw/zinc/20/60/59/661206059.db2.gz JDHFDGMRKHJCRC-SNVBAGLBSA-N -1 0 373.387 -0.952 20 0 FBADRM O=C(CNS(=O)(=O)c1ccccc1F)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000843790536 661205885 /nfs/dbraw/zinc/20/58/85/661205885.db2.gz FVDLOUUAMYCZNR-JTQLQIEISA-N -1 0 370.366 -0.783 20 0 FBADRM O=C(CNS(=O)(=O)c1ccccc1F)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000843790538 661205991 /nfs/dbraw/zinc/20/59/91/661205991.db2.gz FVDLOUUAMYCZNR-SNVBAGLBSA-N -1 0 370.366 -0.783 20 0 FBADRM O=C(CNS(=O)(=O)c1cccc(F)c1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000843791820 661205956 /nfs/dbraw/zinc/20/59/56/661205956.db2.gz NQIWBHONQVGCRR-LLVKDONJSA-N -1 0 370.366 -0.783 20 0 FBADRM O=C(CNS(=O)(=O)c1cccc(F)c1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000843791821 661206034 /nfs/dbraw/zinc/20/60/34/661206034.db2.gz NQIWBHONQVGCRR-NSHDSACASA-N -1 0 370.366 -0.783 20 0 FBADRM Cc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1 ZINC000843792254 661206301 /nfs/dbraw/zinc/20/63/01/661206301.db2.gz PTPTVEZESQKMGK-GFCCVEGCSA-N -1 0 366.403 -0.613 20 0 FBADRM Cc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1 ZINC000843792256 661206256 /nfs/dbraw/zinc/20/62/56/661206256.db2.gz PTPTVEZESQKMGK-LBPRGKRZSA-N -1 0 366.403 -0.613 20 0 FBADRM O=C(CNS(=O)(=O)c1cccc(Br)c1)[N-]OCCO ZINC000843857838 661206780 /nfs/dbraw/zinc/20/67/80/661206780.db2.gz CPSUDCAZBVIOJD-UHFFFAOYSA-N -1 0 353.194 -0.233 20 0 FBADRM O=C(CNS(=O)(=O)c1ccc(Br)cc1)[N-]OCCO ZINC000843859896 661206924 /nfs/dbraw/zinc/20/69/24/661206924.db2.gz TXDAINPNNBQTSN-UHFFFAOYSA-N -1 0 353.194 -0.233 20 0 FBADRM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)C1 ZINC000843865365 661206912 /nfs/dbraw/zinc/20/69/12/661206912.db2.gz LEWYQMPHQFJJDF-AOOOYVTPSA-N -1 0 363.436 -0.128 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CN1Cc2ccccc2OC1=O ZINC000843866429 661206942 /nfs/dbraw/zinc/20/69/42/661206942.db2.gz VBBRPNVRNMQNFK-UHFFFAOYSA-N -1 0 355.372 -0.417 20 0 FBADRM COc1ccc(S(=O)(=O)NCC(=O)[N-]OC(C)(C)CO)cc1OC ZINC000843899610 661207129 /nfs/dbraw/zinc/20/71/29/661207129.db2.gz LTYXUSJBJWGGDP-UHFFFAOYSA-N -1 0 362.404 -0.199 20 0 FBADRM CC(C)(CO)O[N-]C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000843899906 661207106 /nfs/dbraw/zinc/20/71/06/661207106.db2.gz PVDSHCLMJYHRGD-UHFFFAOYSA-N -1 0 374.415 -0.055 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)[N-]OC(C)(C)CO)cc1 ZINC000843900059 661207191 /nfs/dbraw/zinc/20/71/91/661207191.db2.gz UZSDUNMJMGOESK-UHFFFAOYSA-N -1 0 359.404 -0.258 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)[N-]O[C@@H](CO)C(C)C)cc1 ZINC000843903056 661207372 /nfs/dbraw/zinc/20/73/72/661207372.db2.gz CQIJZPJLIHTZSZ-AWEZNQCLSA-N -1 0 373.431 -0.012 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)[N-]O[C@H](CO)C(C)C)cc1 ZINC000843903248 661207449 /nfs/dbraw/zinc/20/74/49/661207449.db2.gz CQIJZPJLIHTZSZ-CQSZACIVSA-N -1 0 373.431 -0.012 20 0 FBADRM CNC(=O)[C@H](CNC(=O)c1cc(=O)[nH][n-]1)Cc1ccc(OC)c(F)c1 ZINC000843939036 661207442 /nfs/dbraw/zinc/20/74/42/661207442.db2.gz SQSVVYWCALCZNZ-JTQLQIEISA-N -1 0 350.350 -0.269 20 0 FBADRM CNC(=O)[C@@H](CNC(=O)c1cc(=O)[nH][n-]1)Cc1ccc(OC)c(F)c1 ZINC000843939038 661207421 /nfs/dbraw/zinc/20/74/21/661207421.db2.gz SQSVVYWCALCZNZ-SNVBAGLBSA-N -1 0 350.350 -0.269 20 0 FBADRM CCN(OC)C(=O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000844065436 661209546 /nfs/dbraw/zinc/20/95/46/661209546.db2.gz CRIZBVRAISMXOL-UHFFFAOYSA-N -1 0 359.404 -0.218 20 0 FBADRM CCN(OC)C(=O)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000844073256 661209981 /nfs/dbraw/zinc/20/99/81/661209981.db2.gz HAEMZUIBUYVMHY-UHFFFAOYSA-N -1 0 365.358 -0.231 20 0 FBADRM C[C@H](CO[N-]C(=O)[C@H]1CCN(C)S1(=O)=O)NC(=O)OC(C)(C)C ZINC000844136530 661210983 /nfs/dbraw/zinc/21/09/83/661210983.db2.gz FLHSZPPRFMTBNU-NXEZZACHSA-N -1 0 351.425 -0.019 20 0 FBADRM C[C@@H](CO[N-]C(=O)[C@@H]1CCN(C)S1(=O)=O)NC(=O)OC(C)(C)C ZINC000844136532 661210800 /nfs/dbraw/zinc/21/08/00/661210800.db2.gz FLHSZPPRFMTBNU-UWVGGRQHSA-N -1 0 351.425 -0.019 20 0 FBADRM C[C@@H](CO[N-]C(=O)[C@H]1CCN(C)S1(=O)=O)NC(=O)OC(C)(C)C ZINC000844136534 661210940 /nfs/dbraw/zinc/21/09/40/661210940.db2.gz FLHSZPPRFMTBNU-VHSXEESVSA-N -1 0 351.425 -0.019 20 0 FBADRM C[C@H](CO[N-]C(=O)[C@@H]1CCN(C)S1(=O)=O)NC(=O)OC(C)(C)C ZINC000844136536 661210882 /nfs/dbraw/zinc/21/08/82/661210882.db2.gz FLHSZPPRFMTBNU-ZJUUUORDSA-N -1 0 351.425 -0.019 20 0 FBADRM O=C([O-])c1cn(C2CN(C(=O)Cn3nnnc3-c3ccsc3)C2)nn1 ZINC000844154657 661211033 /nfs/dbraw/zinc/21/10/33/661211033.db2.gz FLRBYJRANOZXOY-UHFFFAOYSA-N -1 0 360.359 -0.225 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)cn1 ZINC000844204047 661212396 /nfs/dbraw/zinc/21/23/96/661212396.db2.gz FHIMYOFKPJZTDD-ZDUSSCGKSA-N -1 0 369.355 -0.134 20 0 FBADRM Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000844241846 661212620 /nfs/dbraw/zinc/21/26/20/661212620.db2.gz LLLKZTBDLACONX-UHFFFAOYSA-N -1 0 372.447 -0.727 20 0 FBADRM CS(=O)(=O)c1cccc(NC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000844242330 661212733 /nfs/dbraw/zinc/21/27/33/661212733.db2.gz OUUBVXKGIDFOIA-UHFFFAOYSA-N -1 0 369.399 -0.743 20 0 FBADRM Cn1[nH]c(C(C)(C)C)cc1=NC(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000844242939 661212706 /nfs/dbraw/zinc/21/27/06/661212706.db2.gz VQVCNPJGVCFEJN-UHFFFAOYSA-N -1 0 351.407 -0.693 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000844243059 661212680 /nfs/dbraw/zinc/21/26/80/661212680.db2.gz BXILRUBSLJERQS-NEPJUHHUSA-N -1 0 353.352 -0.522 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000844243061 661212687 /nfs/dbraw/zinc/21/26/87/661212687.db2.gz BXILRUBSLJERQS-NWDGAFQWSA-N -1 0 353.352 -0.522 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000844243063 661212649 /nfs/dbraw/zinc/21/26/49/661212649.db2.gz BXILRUBSLJERQS-RYUDHWBXSA-N -1 0 353.352 -0.522 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000844243065 661212731 /nfs/dbraw/zinc/21/27/31/661212731.db2.gz BXILRUBSLJERQS-VXGBXAGGSA-N -1 0 353.352 -0.522 20 0 FBADRM O=C([O-])COCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000844244203 661212582 /nfs/dbraw/zinc/21/25/82/661212582.db2.gz GHVLADMQIXJAKV-UHFFFAOYSA-N -1 0 372.399 -0.575 20 0 FBADRM O=C([O-])COCC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000844245030 661212750 /nfs/dbraw/zinc/21/27/50/661212750.db2.gz YMYQSZCBMTZJFI-UHFFFAOYSA-N -1 0 367.383 -0.619 20 0 FBADRM COc1cc(CNC(=O)COCC(=O)[O-])ccc1OCC(=O)N(C)C ZINC000844245386 661212725 /nfs/dbraw/zinc/21/27/25/661212725.db2.gz GPFPYFQJSVCDIQ-UHFFFAOYSA-N -1 0 354.359 -0.120 20 0 FBADRM O=C([O-])COCC(=O)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC000844246333 661212721 /nfs/dbraw/zinc/21/27/21/661212721.db2.gz DLOHUKDUCILGDB-UHFFFAOYSA-N -1 0 352.343 -0.036 20 0 FBADRM O=C([O-])COCC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000844246367 661212596 /nfs/dbraw/zinc/21/25/96/661212596.db2.gz RMLQMLABTHNZTB-UHFFFAOYSA-N -1 0 350.780 -0.164 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COCC(=O)[O-])CC1 ZINC000844246595 661212638 /nfs/dbraw/zinc/21/26/38/661212638.db2.gz YTYMUOXKIPKQMO-UHFFFAOYSA-N -1 0 361.376 -0.774 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCCC(=O)[O-])CC2)o1 ZINC000844246855 661212571 /nfs/dbraw/zinc/21/25/71/661212571.db2.gz XLXIKJHZBZKIQT-UHFFFAOYSA-N -1 0 373.387 -0.534 20 0 FBADRM COCCNS(=O)(=O)c1ccc(CNC(=O)COCC(=O)[O-])cc1 ZINC000844247333 661212715 /nfs/dbraw/zinc/21/27/15/661212715.db2.gz OCKUBMROPABORG-UHFFFAOYSA-N -1 0 360.388 -0.671 20 0 FBADRM O=C([O-])COCC(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000844247403 661212675 /nfs/dbraw/zinc/21/26/75/661212675.db2.gz JJLQRPZYDPWBHS-LLVKDONJSA-N -1 0 352.343 -0.472 20 0 FBADRM O=C([O-])COCC(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000844247404 661212703 /nfs/dbraw/zinc/21/27/03/661212703.db2.gz JJLQRPZYDPWBHS-NSHDSACASA-N -1 0 352.343 -0.472 20 0 FBADRM O=C([O-])COCC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000844247795 661212905 /nfs/dbraw/zinc/21/29/05/661212905.db2.gz VGORYTDAODKRRA-UHFFFAOYSA-N -1 0 350.327 -0.199 20 0 FBADRM C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)COCC(=O)[O-])CC2)C1 ZINC000844248300 661212954 /nfs/dbraw/zinc/21/29/54/661212954.db2.gz JVALWIRVKQQCCV-KBPBESRZSA-N -1 0 355.435 -0.264 20 0 FBADRM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)COCC(=O)[O-])CC2)C1 ZINC000844248304 661212977 /nfs/dbraw/zinc/21/29/77/661212977.db2.gz JVALWIRVKQQCCV-OKILXGFUSA-N -1 0 355.435 -0.264 20 0 FBADRM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)COCC(=O)[O-])CC2)C1 ZINC000844248305 661212908 /nfs/dbraw/zinc/21/29/08/661212908.db2.gz JVALWIRVKQQCCV-ZIAGYGMSSA-N -1 0 355.435 -0.264 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)COCC(=O)[O-])c1 ZINC000844249061 661212843 /nfs/dbraw/zinc/21/28/43/661212843.db2.gz HIOMFDVTFPXMJQ-SECBINFHSA-N -1 0 373.387 -0.861 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)COCC(=O)[O-])c1 ZINC000844249065 661212893 /nfs/dbraw/zinc/21/28/93/661212893.db2.gz HIOMFDVTFPXMJQ-VIFPVBQESA-N -1 0 373.387 -0.861 20 0 FBADRM COC(=O)c1ccsc1N1CC[C@@H](NC(=O)COCC(=O)[O-])C1=O ZINC000844249474 661212879 /nfs/dbraw/zinc/21/28/79/661212879.db2.gz BGVXYMWZOUDDEF-SECBINFHSA-N -1 0 356.356 -0.143 20 0 FBADRM COC(=O)c1ccsc1N1CC[C@H](NC(=O)COCC(=O)[O-])C1=O ZINC000844249476 661212962 /nfs/dbraw/zinc/21/29/62/661212962.db2.gz BGVXYMWZOUDDEF-VIFPVBQESA-N -1 0 356.356 -0.143 20 0 FBADRM CS(=O)(=O)N1CCN(c2ccc(NC(=O)COCC(=O)[O-])cn2)CC1 ZINC000844249739 661212994 /nfs/dbraw/zinc/21/29/94/661212994.db2.gz PRSOQLYBIZFVLC-UHFFFAOYSA-N -1 0 372.403 -0.797 20 0 FBADRM O=C([O-])COCC(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000844250051 661212917 /nfs/dbraw/zinc/21/29/17/661212917.db2.gz RGTGJGCLADUWIE-UHFFFAOYSA-N -1 0 354.334 -0.024 20 0 FBADRM COCCNS(=O)(=O)c1cccc(CNC(=O)COCC(=O)[O-])c1 ZINC000844250470 661212942 /nfs/dbraw/zinc/21/29/42/661212942.db2.gz SUPWVICQUQPYRQ-UHFFFAOYSA-N -1 0 360.388 -0.671 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2cc(NC(=O)COCC(=O)[O-])cn2)C[C@@H](C)O1 ZINC000844250666 661212854 /nfs/dbraw/zinc/21/28/54/661212854.db2.gz VKBUSJABRPJXHQ-GHMZBOCLSA-N -1 0 354.363 -0.441 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2cc(NC(=O)COCC(=O)[O-])cn2)C[C@H](C)O1 ZINC000844250667 661212928 /nfs/dbraw/zinc/21/29/28/661212928.db2.gz VKBUSJABRPJXHQ-PHIMTYICSA-N -1 0 354.363 -0.441 20 0 FBADRM C[C@H]1CN(C(=O)Cn2cc(NC(=O)COCC(=O)[O-])cn2)C[C@H](C)O1 ZINC000844250668 661212868 /nfs/dbraw/zinc/21/28/68/661212868.db2.gz VKBUSJABRPJXHQ-QWRGUYRKSA-N -1 0 354.363 -0.441 20 0 FBADRM COC(=O)CNS(=O)(=O)c1cccc(NC(=O)COCC(=O)[O-])c1 ZINC000844251346 661212887 /nfs/dbraw/zinc/21/28/87/661212887.db2.gz IWDQPCYDPJOLNQ-UHFFFAOYSA-N -1 0 360.344 -0.822 20 0 FBADRM O=C([O-])COCC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000844251393 661212819 /nfs/dbraw/zinc/21/28/19/661212819.db2.gz KHWVNROFTVLFLD-UHFFFAOYSA-N -1 0 362.326 -0.235 20 0 FBADRM O=C([O-])COCC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000844251914 661212860 /nfs/dbraw/zinc/21/28/60/661212860.db2.gz AHCPJRUTDYMBSQ-UHFFFAOYSA-N -1 0 350.375 -0.662 20 0 FBADRM NS(=O)(=O)c1ccc(N2CCN(C(=O)COCC(=O)[O-])CC2)cc1 ZINC000844252239 661212949 /nfs/dbraw/zinc/21/29/49/661212949.db2.gz CFBKYGDOKFHHEG-UHFFFAOYSA-N -1 0 357.388 -0.916 20 0 FBADRM CC1CCC(NC(=O)CN2CCN(C(=O)COCC(=O)[O-])CC2)CC1 ZINC000844252277 661212834 /nfs/dbraw/zinc/21/28/34/661212834.db2.gz DXKUHNFFNBSNAS-UHFFFAOYSA-N -1 0 355.435 -0.073 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)CCCC(=O)[O-])c1 ZINC000844252324 661212993 /nfs/dbraw/zinc/21/29/93/661212993.db2.gz JLNAURKKFNXJDB-UHFFFAOYSA-N -1 0 357.388 -0.096 20 0 FBADRM C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)COCC(=O)[O-])CC2)C1 ZINC000844252344 661212947 /nfs/dbraw/zinc/21/29/47/661212947.db2.gz KOBRKYWHYDQDIF-KBPBESRZSA-N -1 0 355.435 -0.073 20 0 FBADRM C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)COCC(=O)[O-])CC2)C1 ZINC000844252345 661212851 /nfs/dbraw/zinc/21/28/51/661212851.db2.gz KOBRKYWHYDQDIF-KGLIPLIRSA-N -1 0 355.435 -0.073 20 0 FBADRM C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)COCC(=O)[O-])CC2)C1 ZINC000844252346 661212915 /nfs/dbraw/zinc/21/29/15/661212915.db2.gz KOBRKYWHYDQDIF-UONOGXRCSA-N -1 0 355.435 -0.073 20 0 FBADRM C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)COCC(=O)[O-])CC2)C1 ZINC000844252347 661212978 /nfs/dbraw/zinc/21/29/78/661212978.db2.gz KOBRKYWHYDQDIF-ZIAGYGMSSA-N -1 0 355.435 -0.073 20 0 FBADRM CNS(=O)(=O)c1ccccc1N1CCN(C(=O)COCC(=O)[O-])CC1 ZINC000844254623 661212872 /nfs/dbraw/zinc/21/28/72/661212872.db2.gz ZILZGAMITTWURC-UHFFFAOYSA-N -1 0 371.415 -0.656 20 0 FBADRM CCO[N-]C(=O)CNC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1 ZINC000844494642 661214730 /nfs/dbraw/zinc/21/47/30/661214730.db2.gz WXVQZYDCUIJMRS-JTQLQIEISA-N -1 0 359.408 -0.260 20 0 FBADRM CCO[N-]C(=O)CNC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000844494651 661214748 /nfs/dbraw/zinc/21/47/48/661214748.db2.gz WXVQZYDCUIJMRS-SNVBAGLBSA-N -1 0 359.408 -0.260 20 0 FBADRM CCO[N-]C(=O)CNC(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 ZINC000844496431 661214769 /nfs/dbraw/zinc/21/47/69/661214769.db2.gz WOTKAZKVLGGNOJ-UHFFFAOYSA-N -1 0 352.347 -0.221 20 0 FBADRM CCO[N-]C(=O)CNC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000844530379 661214700 /nfs/dbraw/zinc/21/47/00/661214700.db2.gz GMOJOWHRONIBFI-UHFFFAOYSA-N -1 0 351.363 -0.519 20 0 FBADRM CCO[N-]C(=O)CNC(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1 ZINC000844546856 661214866 /nfs/dbraw/zinc/21/48/66/661214866.db2.gz WKMUVZILXFMCIV-UHFFFAOYSA-N -1 0 374.419 -0.200 20 0 FBADRM CCO[N-]C(=O)CNC(=O)Nc1cccn(CCS(C)(=O)=O)c1=O ZINC000844585568 661215198 /nfs/dbraw/zinc/21/51/98/661215198.db2.gz FFRMBBPQINKXPY-UHFFFAOYSA-N -1 0 360.392 -0.918 20 0 FBADRM CCO[N-]C(=O)CNC(=O)Nc1nn(CCS(=O)(=O)CC)cc1C ZINC000844651108 661215356 /nfs/dbraw/zinc/21/53/56/661215356.db2.gz UGVCLIIBIPFUCE-UHFFFAOYSA-N -1 0 361.424 -0.185 20 0 FBADRM CCO[N-]C(=O)CNC(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 ZINC000844657044 661215561 /nfs/dbraw/zinc/21/55/61/661215561.db2.gz MUNGTKDENSWNLJ-UHFFFAOYSA-N -1 0 351.363 -0.648 20 0 FBADRM CCO[N-]C(=O)CNC(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000844658636 661215789 /nfs/dbraw/zinc/21/57/89/661215789.db2.gz WWPJBSXAEQJPJA-UHFFFAOYSA-N -1 0 351.363 -0.567 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000844659065 661215739 /nfs/dbraw/zinc/21/57/39/661215739.db2.gz MAUSGKTUGQOOLY-SSDOTTSWSA-N -1 0 364.346 -0.824 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000844659066 661215784 /nfs/dbraw/zinc/21/57/84/661215784.db2.gz MAUSGKTUGQOOLY-ZETCQYMHSA-N -1 0 364.346 -0.824 20 0 FBADRM CCO[N-]C(=O)CNC(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1 ZINC000844688764 661215714 /nfs/dbraw/zinc/21/57/14/661215714.db2.gz OTZUGNRNPRQTOK-UHFFFAOYSA-N -1 0 351.363 -0.519 20 0 FBADRM CCO[N-]C(=O)CNC(=O)Nc1cc(CNS(C)(=O)=O)ccc1OC ZINC000844695502 661215978 /nfs/dbraw/zinc/21/59/78/661215978.db2.gz BTZYGDACTRBPGQ-UHFFFAOYSA-N -1 0 374.419 -0.066 20 0 FBADRM CCO[N-]C(=O)CN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000844738788 661216470 /nfs/dbraw/zinc/21/64/70/661216470.db2.gz VQOSPUAXMFEWLG-HNNXBMFYSA-N -1 0 369.399 -0.075 20 0 FBADRM CCO[N-]C(=O)CN1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000844738789 661216384 /nfs/dbraw/zinc/21/63/84/661216384.db2.gz VQOSPUAXMFEWLG-OAHLLOKOSA-N -1 0 369.399 -0.075 20 0 FBADRM C[C@H](O)[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)C(=O)[O-] ZINC000844782730 661217035 /nfs/dbraw/zinc/21/70/35/661217035.db2.gz FXPOAVCHIWEDTB-IMTBSYHQSA-N -1 0 373.355 -0.205 20 0 FBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)C(=O)[O-] ZINC000844782732 661216987 /nfs/dbraw/zinc/21/69/87/661216987.db2.gz FXPOAVCHIWEDTB-MUWHJKNJSA-N -1 0 373.355 -0.205 20 0 FBADRM C[C@H](O)[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)C(=O)[O-] ZINC000844782734 661217067 /nfs/dbraw/zinc/21/70/67/661217067.db2.gz FXPOAVCHIWEDTB-RCOVLWMOSA-N -1 0 373.355 -0.205 20 0 FBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)[O-] ZINC000844783014 661217077 /nfs/dbraw/zinc/21/70/77/661217077.db2.gz QGYIKUKMXYAUEY-LDWIPMOCSA-N -1 0 371.820 -0.144 20 0 FBADRM C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)[O-] ZINC000844783016 661216953 /nfs/dbraw/zinc/21/69/53/661216953.db2.gz QGYIKUKMXYAUEY-QUBYGPBYSA-N -1 0 371.820 -0.144 20 0 FBADRM C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)[O-] ZINC000844783017 661217025 /nfs/dbraw/zinc/21/70/25/661217025.db2.gz QGYIKUKMXYAUEY-WKEGUHRASA-N -1 0 371.820 -0.144 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])ccc1Cl ZINC000844783529 661217082 /nfs/dbraw/zinc/21/70/82/661217082.db2.gz FQEGCTFJGVOUGR-SECBINFHSA-N -1 0 371.820 -0.143 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])ccc1Cl ZINC000844783531 661217005 /nfs/dbraw/zinc/21/70/05/661217005.db2.gz FQEGCTFJGVOUGR-VIFPVBQESA-N -1 0 371.820 -0.143 20 0 FBADRM C[C@@H](CCNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000844783990 661217084 /nfs/dbraw/zinc/21/70/84/661217084.db2.gz CDPBDFPFDDRFRD-JTQLQIEISA-N -1 0 356.466 -0.312 20 0 FBADRM C[C@H](CCNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000844783991 661216976 /nfs/dbraw/zinc/21/69/76/661216976.db2.gz CDPBDFPFDDRFRD-SNVBAGLBSA-N -1 0 356.466 -0.312 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])ccc1Cl ZINC000844784736 661217001 /nfs/dbraw/zinc/21/70/01/661217001.db2.gz CVASHSSJXQPIFT-QMMMGPOBSA-N -1 0 357.793 -0.533 20 0 FBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000844784763 661216962 /nfs/dbraw/zinc/21/69/62/661216962.db2.gz QQFFSHYUPMESQG-LURJTMIESA-N -1 0 359.328 -0.593 20 0 FBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000844786164 661217044 /nfs/dbraw/zinc/21/70/44/661217044.db2.gz WGGCEICCHOHNTE-SSDOTTSWSA-N -1 0 373.355 -0.203 20 0 FBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000844786169 661217357 /nfs/dbraw/zinc/21/73/57/661217357.db2.gz WGGCEICCHOHNTE-ZETCQYMHSA-N -1 0 373.355 -0.203 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])ccc1Cl ZINC000844786308 661217283 /nfs/dbraw/zinc/21/72/83/661217283.db2.gz WXQVQGKIPOVHHV-QMMMGPOBSA-N -1 0 357.793 -0.533 20 0 FBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000844786650 661217355 /nfs/dbraw/zinc/21/73/55/661217355.db2.gz QQFFSHYUPMESQG-ZCFIWIBFSA-N -1 0 359.328 -0.593 20 0 FBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000844787354 661217287 /nfs/dbraw/zinc/21/72/87/661217287.db2.gz RINXKTLNYAJULR-LURJTMIESA-N -1 0 359.328 -0.593 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])ccc1Cl ZINC000844787870 661217393 /nfs/dbraw/zinc/21/73/93/661217393.db2.gz WXQVQGKIPOVHHV-MRVPVSSYSA-N -1 0 357.793 -0.533 20 0 FBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000844789572 661217279 /nfs/dbraw/zinc/21/72/79/661217279.db2.gz JSAFDGUJXOERKE-ZETCQYMHSA-N -1 0 373.355 -0.203 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])ccc1Cl ZINC000844790058 661217395 /nfs/dbraw/zinc/21/73/95/661217395.db2.gz MQADCEBUDKYBCU-VIFPVBQESA-N -1 0 371.820 -0.143 20 0 FBADRM Cn1nncc1S(=O)(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)[O-] ZINC000844790870 661217389 /nfs/dbraw/zinc/21/73/89/661217389.db2.gz SJIYHRKVYSQGGV-NSHDSACASA-N -1 0 368.371 -0.320 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000844792396 661217315 /nfs/dbraw/zinc/21/73/15/661217315.db2.gz LDQMEWQVZQWPQJ-MRVPVSSYSA-N -1 0 372.783 -0.254 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000844792399 661217402 /nfs/dbraw/zinc/21/74/02/661217402.db2.gz LDQMEWQVZQWPQJ-QMMMGPOBSA-N -1 0 372.783 -0.254 20 0 FBADRM O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000844792491 661217365 /nfs/dbraw/zinc/21/73/65/661217365.db2.gz XBXRETJUYHKIPN-JTQLQIEISA-N -1 0 367.786 -0.062 20 0 FBADRM O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000844792493 661217320 /nfs/dbraw/zinc/21/73/20/661217320.db2.gz XBXRETJUYHKIPN-SNVBAGLBSA-N -1 0 367.786 -0.062 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(Cl)n1 ZINC000844793362 661217352 /nfs/dbraw/zinc/21/73/52/661217352.db2.gz WCKFRPDNMLXQKY-MRVPVSSYSA-N -1 0 368.820 -0.084 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(Cl)n1 ZINC000844793363 661217385 /nfs/dbraw/zinc/21/73/85/661217385.db2.gz WCKFRPDNMLXQKY-QMMMGPOBSA-N -1 0 368.820 -0.084 20 0 FBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000844793762 661217354 /nfs/dbraw/zinc/21/73/54/661217354.db2.gz SNQCUNMFLPLQAM-DGCLKSJQSA-N -1 0 354.384 -0.213 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)N(CCO)CC(=O)[O-])ccc1Cl ZINC000844795072 661217291 /nfs/dbraw/zinc/21/72/91/661217291.db2.gz METUAUWDLSULSI-UHFFFAOYSA-N -1 0 371.820 -0.189 20 0 FBADRM O=C([O-])CN(CCO)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000844796286 661217299 /nfs/dbraw/zinc/21/72/99/661217299.db2.gz ZDTXLMQJSLQFNS-UHFFFAOYSA-N -1 0 373.355 -0.250 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000844798616 661217303 /nfs/dbraw/zinc/21/73/03/661217303.db2.gz KEQWDEMIFBOTTG-BDAKNGLRSA-N -1 0 367.424 -0.640 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000844798618 661217332 /nfs/dbraw/zinc/21/73/32/661217332.db2.gz KEQWDEMIFBOTTG-IUCAKERBSA-N -1 0 367.424 -0.640 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@H](Cc2ccncn2)C(=O)[O-])s1 ZINC000844806765 661217602 /nfs/dbraw/zinc/21/76/02/661217602.db2.gz XIILLYGQWYZLBK-SECBINFHSA-N -1 0 371.400 -0.134 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)N[C@@H](Cc2ccncn2)C(=O)[O-])s1 ZINC000844806766 661217508 /nfs/dbraw/zinc/21/75/08/661217508.db2.gz XIILLYGQWYZLBK-VIFPVBQESA-N -1 0 371.400 -0.134 20 0 FBADRM O=C([O-])[C@H](Cc1ncccn1)NS(=O)(=O)c1cn2c(n1)CCCC2 ZINC000844812266 661217696 /nfs/dbraw/zinc/21/76/96/661217696.db2.gz DBUJLXRUBAUYSV-JTQLQIEISA-N -1 0 351.388 -0.016 20 0 FBADRM O=C([O-])[C@@H](Cc1ncccn1)NS(=O)(=O)c1cn2c(n1)CCCC2 ZINC000844812267 661217632 /nfs/dbraw/zinc/21/76/32/661217632.db2.gz DBUJLXRUBAUYSV-SNVBAGLBSA-N -1 0 351.388 -0.016 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](Cc2ncccn2)C(=O)[O-])cn1C ZINC000844812308 661217690 /nfs/dbraw/zinc/21/76/90/661217690.db2.gz DQCXEPPXGOUVSG-JTQLQIEISA-N -1 0 368.371 -0.424 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H](Cc2ncccn2)C(=O)[O-])cn1C ZINC000844812309 661217651 /nfs/dbraw/zinc/21/76/51/661217651.db2.gz DQCXEPPXGOUVSG-SNVBAGLBSA-N -1 0 368.371 -0.424 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000844829283 661217878 /nfs/dbraw/zinc/21/78/78/661217878.db2.gz QOQUPARLJBCYEN-LLVKDONJSA-N -1 0 362.429 -0.162 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NS(=O)(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000844829284 661217892 /nfs/dbraw/zinc/21/78/92/661217892.db2.gz QOQUPARLJBCYEN-NSHDSACASA-N -1 0 362.429 -0.162 20 0 FBADRM COCCNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000844893287 661218410 /nfs/dbraw/zinc/21/84/10/661218410.db2.gz CMPNRAPYACGJRT-UHFFFAOYSA-N -1 0 352.315 -0.296 20 0 FBADRM Cc1cc(F)c(S(=O)(=O)NCCNS(C)(=O)=O)cc1C(=O)[O-] ZINC000844893704 661218237 /nfs/dbraw/zinc/21/82/37/661218237.db2.gz FCSLYCYVRPAYER-UHFFFAOYSA-N -1 0 354.381 -0.340 20 0 FBADRM CS(=O)(=O)NCCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000844894313 661218351 /nfs/dbraw/zinc/21/83/51/661218351.db2.gz KZOLMBMDRMGPNQ-UHFFFAOYSA-N -1 0 358.344 -0.510 20 0 FBADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCCNS(C)(=O)=O)c1F ZINC000844894565 661218385 /nfs/dbraw/zinc/21/83/85/661218385.db2.gz RHYYNGNGGDZAHE-UHFFFAOYSA-N -1 0 354.381 -0.340 20 0 FBADRM CC[S@@](=O)CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000844894945 661218336 /nfs/dbraw/zinc/21/83/36/661218336.db2.gz VVIAGZNXIPLMGD-JOCHJYFZSA-N -1 0 362.429 -0.452 20 0 FBADRM CC[S@](=O)CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000844894946 661218389 /nfs/dbraw/zinc/21/83/89/661218389.db2.gz VVIAGZNXIPLMGD-QFIPXVFZSA-N -1 0 362.429 -0.452 20 0 FBADRM CN(C)S(=O)(=O)N(C)CC(=O)OCC(=O)[N-]OCc1ccccc1 ZINC000845197721 661222349 /nfs/dbraw/zinc/22/23/49/661222349.db2.gz IFHMHQXCTNYZFN-UHFFFAOYSA-N -1 0 359.404 -0.484 20 0 FBADRM NS(=O)(=O)C1(C(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)CC1 ZINC000845204368 661223716 /nfs/dbraw/zinc/22/37/16/661223716.db2.gz DLRYYNPBFGNGBT-UHFFFAOYSA-N -1 0 359.385 -0.627 20 0 FBADRM COc1ccc(C(=O)COC(=O)C2(S(N)(=O)=O)CC2)c2occ([O-])c21 ZINC000845207695 661224147 /nfs/dbraw/zinc/22/41/47/661224147.db2.gz VOEQLQUPRQGYCH-UHFFFAOYSA-N -1 0 369.351 -0.183 20 0 FBADRM O=C(OCC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@H]1CCS(=O)(=O)N1 ZINC000845373881 661228127 /nfs/dbraw/zinc/22/81/27/661228127.db2.gz XRAAUDGHAPWQOF-SECBINFHSA-N -1 0 359.385 -0.757 20 0 FBADRM O=C(OCC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@@H]1CCS(=O)(=O)N1 ZINC000845373882 661228066 /nfs/dbraw/zinc/22/80/66/661228066.db2.gz XRAAUDGHAPWQOF-VIFPVBQESA-N -1 0 359.385 -0.757 20 0 FBADRM COc1ccc(C(=O)COC(=O)[C@H]2CCS(=O)(=O)N2)c2occ([O-])c21 ZINC000845374925 661228029 /nfs/dbraw/zinc/22/80/29/661228029.db2.gz FCBIHMOGDULCBS-SECBINFHSA-N -1 0 369.351 -0.312 20 0 FBADRM COc1ccc(C(=O)COC(=O)[C@@H]2CCS(=O)(=O)N2)c2occ([O-])c21 ZINC000845374927 661228095 /nfs/dbraw/zinc/22/80/95/661228095.db2.gz FCBIHMOGDULCBS-VIFPVBQESA-N -1 0 369.351 -0.312 20 0 FBADRM CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000845433489 661229616 /nfs/dbraw/zinc/22/96/16/661229616.db2.gz DAVJMYMTWLMRQS-UHFFFAOYSA-N -1 0 366.403 -0.371 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000845435700 661229559 /nfs/dbraw/zinc/22/95/59/661229559.db2.gz QSGTWZJYTZKXHZ-UHFFFAOYSA-N -1 0 355.376 -0.509 20 0 FBADRM CO[C@H](CC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1)C(F)(F)F ZINC000845436665 661229490 /nfs/dbraw/zinc/22/94/90/661229490.db2.gz IDFOZRLECIKWOY-MRVPVSSYSA-N -1 0 357.310 -0.104 20 0 FBADRM CO[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1)C(F)(F)F ZINC000845436666 661229547 /nfs/dbraw/zinc/22/95/47/661229547.db2.gz IDFOZRLECIKWOY-QMMMGPOBSA-N -1 0 357.310 -0.104 20 0 FBADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)Cn2cnc(C(N)=O)n2)cc1 ZINC000845436675 661229531 /nfs/dbraw/zinc/22/95/31/661229531.db2.gz IGOJFIQXABTUCF-UHFFFAOYSA-N -1 0 351.388 -0.165 20 0 FBADRM NC(=O)c1ncn(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCC3)n1 ZINC000845436976 661229644 /nfs/dbraw/zinc/22/96/44/661229644.db2.gz BLKZARQMBWOYOV-UHFFFAOYSA-N -1 0 363.399 -0.239 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCC3)cc1 ZINC000845438208 661229709 /nfs/dbraw/zinc/22/97/09/661229709.db2.gz OZMGJTQLDDBRIC-UHFFFAOYSA-N -1 0 366.399 -0.105 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000845438371 661229665 /nfs/dbraw/zinc/22/96/65/661229665.db2.gz ILJFDSCGFVSFMP-UHFFFAOYSA-N -1 0 368.419 -0.763 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)C(C)(C)NC(=O)COC(C)(C)C)cn1 ZINC000845438947 661229761 /nfs/dbraw/zinc/22/97/61/661229761.db2.gz TZYKBUFGOMDXEG-UHFFFAOYSA-N -1 0 360.436 -0.065 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)C(C)(C)CNC(C)=O)CC1 ZINC000845448524 661229829 /nfs/dbraw/zinc/22/98/29/661229829.db2.gz DNHMMZJFOVFSLE-UHFFFAOYSA-N -1 0 363.436 -0.605 20 0 FBADRM CCn1ccc(CC(=O)[N-]S(=O)(=O)N2CCC(C(=O)OC)CC2)n1 ZINC000845450976 661229801 /nfs/dbraw/zinc/22/98/01/661229801.db2.gz SVJYCZPOYVDTBW-UHFFFAOYSA-N -1 0 358.420 -0.309 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCC3)c1Cl ZINC000845454019 661230090 /nfs/dbraw/zinc/23/00/90/661230090.db2.gz AQNGEFQJDYHHRO-UHFFFAOYSA-N -1 0 374.810 -0.727 20 0 FBADRM COc1cccc(S(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCC3)c1 ZINC000845455473 661230160 /nfs/dbraw/zinc/23/01/60/661230160.db2.gz RFXWZGUBQHQICI-UHFFFAOYSA-N -1 0 366.399 -0.105 20 0 FBADRM CCCCN(CCCC)S(=O)(=O)[N-]C(=O)Cn1cnc(C(N)=O)n1 ZINC000845457590 661230132 /nfs/dbraw/zinc/23/01/32/661230132.db2.gz DTUAHGSVMAJZMX-UHFFFAOYSA-N -1 0 360.440 -0.360 20 0 FBADRM NC(=O)c1ncn(CC(=O)[N-]S(=O)(=O)N2CCCc3ccccc32)n1 ZINC000845458812 661230058 /nfs/dbraw/zinc/23/00/58/661230058.db2.gz KMCSVPGXNHVKLR-UHFFFAOYSA-N -1 0 364.387 -0.809 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCC2)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000845459373 661230142 /nfs/dbraw/zinc/23/01/42/661230142.db2.gz OMKAFNPUPZRMIE-LLVKDONJSA-N -1 0 358.420 -0.604 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCC2)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000845459374 661230147 /nfs/dbraw/zinc/23/01/47/661230147.db2.gz OMKAFNPUPZRMIE-NSHDSACASA-N -1 0 358.420 -0.604 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)C(C)(C)CNC(C)=O ZINC000845461201 661230055 /nfs/dbraw/zinc/23/00/55/661230055.db2.gz IJYYBJFGGTZXIB-LLVKDONJSA-N -1 0 363.436 -0.463 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)C(C)(C)CNC(C)=O ZINC000845461203 661230138 /nfs/dbraw/zinc/23/01/38/661230138.db2.gz IJYYBJFGGTZXIB-NSHDSACASA-N -1 0 363.436 -0.463 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)Cc1ccn(CC)n1 ZINC000845461257 661230066 /nfs/dbraw/zinc/23/00/66/661230066.db2.gz KARKGCLEGSTAAJ-GFCCVEGCSA-N -1 0 358.420 -0.166 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)Cc1ccn(CC)n1 ZINC000845461259 661230073 /nfs/dbraw/zinc/23/00/73/661230073.db2.gz KARKGCLEGSTAAJ-LBPRGKRZSA-N -1 0 358.420 -0.166 20 0 FBADRM CC(C)(C)OCC(=O)NC(C)(C)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000845462948 661230107 /nfs/dbraw/zinc/23/01/07/661230107.db2.gz NGJXOCWWGVUKPO-JTQLQIEISA-N -1 0 354.411 -0.191 20 0 FBADRM CC(C)(C)OCC(=O)NC(C)(C)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000845462950 661230033 /nfs/dbraw/zinc/23/00/33/661230033.db2.gz NGJXOCWWGVUKPO-SNVBAGLBSA-N -1 0 354.411 -0.191 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)CC1(Cn2cnnn2)CCCCC1 ZINC000845465300 661230282 /nfs/dbraw/zinc/23/02/82/661230282.db2.gz HDVCTFYMVWYYMM-UHFFFAOYSA-N -1 0 359.408 -0.367 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCC2)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000845465945 661230289 /nfs/dbraw/zinc/23/02/89/661230289.db2.gz BSHBROUSJFLERM-UHFFFAOYSA-N -1 0 371.806 -0.065 20 0 FBADRM CC(C)(C)OCC(=O)NC(C)(C)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000845470540 661230274 /nfs/dbraw/zinc/23/02/74/661230274.db2.gz DMAHIGWRVFVYNA-JTQLQIEISA-N -1 0 350.437 -0.069 20 0 FBADRM CC(C)(C)OCC(=O)NC(C)(C)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000845470541 661230309 /nfs/dbraw/zinc/23/03/09/661230309.db2.gz DMAHIGWRVFVYNA-SNVBAGLBSA-N -1 0 350.437 -0.069 20 0 FBADRM Cc1ccnc(S(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCC3)c1 ZINC000845471245 661230288 /nfs/dbraw/zinc/23/02/88/661230288.db2.gz QPRMGOMMWJIWSI-UHFFFAOYSA-N -1 0 351.388 -0.410 20 0 FBADRM CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000845471428 661230306 /nfs/dbraw/zinc/23/03/06/661230306.db2.gz BDVMMNYPLQRXJD-UHFFFAOYSA-N -1 0 367.427 -0.060 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1coc(S(C)(=O)=O)c1 ZINC000845471632 661230317 /nfs/dbraw/zinc/23/03/17/661230317.db2.gz WZBJMMHPICLVOH-UHFFFAOYSA-N -1 0 353.374 -0.304 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCCCC1 ZINC000845471671 661230258 /nfs/dbraw/zinc/23/02/58/661230258.db2.gz XNEJTSIFWOCTRS-UHFFFAOYSA-N -1 0 359.408 -0.268 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(-n2nnnc2C)cc1 ZINC000845471852 661230247 /nfs/dbraw/zinc/23/02/47/661230247.db2.gz XXUPGLNIRATYMU-UHFFFAOYSA-N -1 0 367.387 -0.016 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)Cn2cnc(C(N)=O)n2)c(C)c1C ZINC000845472049 661230302 /nfs/dbraw/zinc/23/03/02/661230302.db2.gz KPLFILSZHNNXIC-UHFFFAOYSA-N -1 0 367.387 -0.492 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cccc(-n2cc[nH]c2=O)c1 ZINC000845474443 661230260 /nfs/dbraw/zinc/23/02/60/661230260.db2.gz KIVAOAVRKNMQPV-UHFFFAOYSA-N -1 0 352.372 -0.115 20 0 FBADRM CC(C)(C)OCC(=O)NC(C)(C)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000845474936 661230299 /nfs/dbraw/zinc/23/02/99/661230299.db2.gz NSNMHZGPMPJDSI-UHFFFAOYSA-N -1 0 365.452 -0.611 20 0 FBADRM Cc1nnnn1-c1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cc1 ZINC000845475382 661230368 /nfs/dbraw/zinc/23/03/68/661230368.db2.gz OXHFFTSVMWXGNY-UHFFFAOYSA-N -1 0 352.376 -0.722 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccc(-n2cc[nH]c2=O)cc1 ZINC000845475399 661230493 /nfs/dbraw/zinc/23/04/93/661230493.db2.gz OYJHKHWOQZUOJO-UHFFFAOYSA-N -1 0 352.372 -0.115 20 0 FBADRM O=C(CC1(Cn2cnnn2)CCCCC1)[N-]S(=O)(=O)N1CCOCC1 ZINC000845477004 661230494 /nfs/dbraw/zinc/23/04/94/661230494.db2.gz PAIXLKLHKJVIJI-UHFFFAOYSA-N -1 0 372.451 -0.293 20 0 FBADRM COc1ccccc1S(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000845478680 661230514 /nfs/dbraw/zinc/23/05/14/661230514.db2.gz ZWNJGOISEVIDGC-UHFFFAOYSA-N -1 0 366.399 -0.105 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)CC1(Cn2cnnn2)CCCCC1 ZINC000845482046 661230490 /nfs/dbraw/zinc/23/04/90/661230490.db2.gz FEDHMMHDIOYEBK-UHFFFAOYSA-N -1 0 374.467 -0.047 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(-n2nnnc2C)cc1 ZINC000845484832 661230502 /nfs/dbraw/zinc/23/05/02/661230502.db2.gz SPDUZDRGXFGICL-UHFFFAOYSA-N -1 0 354.392 -0.476 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C(C)(C)NC(=O)COC(C)(C)C ZINC000845486666 661230516 /nfs/dbraw/zinc/23/05/16/661230516.db2.gz ZCVBPOLJJMCXNE-UHFFFAOYSA-N -1 0 367.468 -0.365 20 0 FBADRM CC(C)(C)OCC(=O)NC(C)(C)C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000845487972 661230526 /nfs/dbraw/zinc/23/05/26/661230526.db2.gz QFKDZHZKGWKZDH-UHFFFAOYSA-N -1 0 358.420 -0.009 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCC3)cn1 ZINC000845488122 661230553 /nfs/dbraw/zinc/23/05/53/661230553.db2.gz YVQBKIGCCPZLRT-UHFFFAOYSA-N -1 0 354.392 -0.897 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(-n2nnnc2C)cc1 ZINC000845491219 661230513 /nfs/dbraw/zinc/23/05/13/661230513.db2.gz HYSGURXOWSMEQX-UHFFFAOYSA-N -1 0 369.403 -0.307 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCCCC1 ZINC000845491258 661230485 /nfs/dbraw/zinc/23/04/85/661230485.db2.gz JENXXOYTZLIJKS-UHFFFAOYSA-N -1 0 361.424 -0.559 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCC2)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000845492755 661230543 /nfs/dbraw/zinc/23/05/43/661230543.db2.gz COMSCOKQEGKQJK-UHFFFAOYSA-N -1 0 371.806 -0.065 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cn2cnc(C(N)=O)n2)cc1N(C)C ZINC000845495640 661230489 /nfs/dbraw/zinc/23/04/89/661230489.db2.gz PXVUAPPHROMNFH-UHFFFAOYSA-N -1 0 366.403 -0.743 20 0 FBADRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCC3)c1 ZINC000845496372 661230539 /nfs/dbraw/zinc/23/05/39/661230539.db2.gz WEOXAMUSHNNGKU-UHFFFAOYSA-N -1 0 368.419 -0.336 20 0 FBADRM CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000845499457 661230537 /nfs/dbraw/zinc/23/05/37/661230537.db2.gz USLPLGHIFLLMOY-UHFFFAOYSA-N -1 0 363.421 -0.536 20 0 FBADRM CCn1ccc(CC(=O)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)n1 ZINC000845499731 661230479 /nfs/dbraw/zinc/23/04/79/661230479.db2.gz WZNFILJXLWBYIF-UHFFFAOYSA-N -1 0 358.405 -0.240 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(-n2nnnc2C)cc1 ZINC000845501109 661230674 /nfs/dbraw/zinc/23/06/74/661230674.db2.gz BXBAHJFHGQYQGW-UHFFFAOYSA-N -1 0 353.360 -0.407 20 0 FBADRM NC(=O)c1ncn(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)n1 ZINC000845501321 661230682 /nfs/dbraw/zinc/23/06/82/661230682.db2.gz QBRJDRFCNQCPCA-UHFFFAOYSA-N -1 0 365.371 -0.793 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCC3)nc1C ZINC000845501526 661230745 /nfs/dbraw/zinc/23/07/45/661230745.db2.gz HIVMQMVCOVDNIC-UHFFFAOYSA-N -1 0 368.419 -0.589 20 0 FBADRM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)Cn2cnc(C(N)=O)n2)cc1 ZINC000845501651 661230788 /nfs/dbraw/zinc/23/07/88/661230788.db2.gz VKUWVWXXCXQKKP-UHFFFAOYSA-N -1 0 367.387 -0.331 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCC2)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000845505799 661230775 /nfs/dbraw/zinc/23/07/75/661230775.db2.gz DAISIXJQTOGZEV-UHFFFAOYSA-N -1 0 371.806 -0.065 20 0 FBADRM CC(C)(C)OC(=O)NCC(F)(F)CC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000845509918 661230715 /nfs/dbraw/zinc/23/07/15/661230715.db2.gz AYNUNQOCGUSQHI-UHFFFAOYSA-N -1 0 359.351 -0.532 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1 ZINC000845511085 661230794 /nfs/dbraw/zinc/23/07/94/661230794.db2.gz LOWHIQSJYBPXNU-TXEJJXNPSA-N -1 0 369.399 -0.377 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCC2)[N-]S(=O)(=O)Cc1cccnc1 ZINC000845512264 661230704 /nfs/dbraw/zinc/23/07/04/661230704.db2.gz TXFFDWALDXIZAV-UHFFFAOYSA-N -1 0 351.388 -0.578 20 0 FBADRM COc1ccc(Cn2nnc(C(=O)[N-]S(=O)(=O)CC(N)=O)c2C)cc1 ZINC000845512309 661230671 /nfs/dbraw/zinc/23/06/71/661230671.db2.gz ZEDDYNZIULRXTR-UHFFFAOYSA-N -1 0 367.387 -0.812 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2nnnc2C)cc1 ZINC000845512820 661230783 /nfs/dbraw/zinc/23/07/83/661230783.db2.gz HAHCWXSFWAJVEV-MRVPVSSYSA-N -1 0 353.360 -0.408 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2nnnc2C)cc1 ZINC000845512821 661230735 /nfs/dbraw/zinc/23/07/35/661230735.db2.gz HAHCWXSFWAJVEV-QMMMGPOBSA-N -1 0 353.360 -0.408 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)NC(=O)COC(C)(C)C ZINC000845512824 661230772 /nfs/dbraw/zinc/23/07/72/661230772.db2.gz HENJQDIMIIXRFU-SECBINFHSA-N -1 0 366.436 -0.296 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)NC(=O)COC(C)(C)C ZINC000845512825 661230661 /nfs/dbraw/zinc/23/06/61/661230661.db2.gz HENJQDIMIIXRFU-VIFPVBQESA-N -1 0 366.436 -0.296 20 0 FBADRM CCCOc1ccc(S(=O)(=O)[N-]C(=O)Cn2cnc(C(N)=O)n2)cc1 ZINC000845513579 661230767 /nfs/dbraw/zinc/23/07/67/661230767.db2.gz OPUZODLAIUUPAU-UHFFFAOYSA-N -1 0 367.387 -0.329 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)C(C)(C)NC(=O)COC(C)(C)C ZINC000845516886 661230948 /nfs/dbraw/zinc/23/09/48/661230948.db2.gz IQDHQXIOFJYAPI-UHFFFAOYSA-N -1 0 360.436 -0.065 20 0 FBADRM CCc1ccc(CS(=O)(=O)[N-]C(=O)Cn2cnc(C(N)=O)n2)cc1 ZINC000845517480 661230956 /nfs/dbraw/zinc/23/09/56/661230956.db2.gz ARDCHJOHFQIYKY-UHFFFAOYSA-N -1 0 351.388 -0.414 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000845519174 661230933 /nfs/dbraw/zinc/23/09/33/661230933.db2.gz METBPQBDWNUKTG-NXEZZACHSA-N -1 0 374.419 -0.975 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000845519177 661230914 /nfs/dbraw/zinc/23/09/14/661230914.db2.gz METBPQBDWNUKTG-UWVGGRQHSA-N -1 0 374.419 -0.975 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000845519180 661230907 /nfs/dbraw/zinc/23/09/07/661230907.db2.gz METBPQBDWNUKTG-VHSXEESVSA-N -1 0 374.419 -0.975 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000845519183 661230920 /nfs/dbraw/zinc/23/09/20/661230920.db2.gz METBPQBDWNUKTG-ZJUUUORDSA-N -1 0 374.419 -0.975 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1coc(S(C)(=O)=O)c1 ZINC000845519787 661230853 /nfs/dbraw/zinc/23/08/53/661230853.db2.gz QHPUZZODONVXKG-HTQZYQBOSA-N -1 0 367.401 -0.060 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1coc(S(C)(=O)=O)c1 ZINC000845519788 661230962 /nfs/dbraw/zinc/23/09/62/661230962.db2.gz QHPUZZODONVXKG-JGVFFNPUSA-N -1 0 367.401 -0.060 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1coc(S(C)(=O)=O)c1 ZINC000845519790 661230875 /nfs/dbraw/zinc/23/08/75/661230875.db2.gz QHPUZZODONVXKG-SFYZADRCSA-N -1 0 367.401 -0.060 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1coc(S(C)(=O)=O)c1 ZINC000845519791 661230945 /nfs/dbraw/zinc/23/09/45/661230945.db2.gz QHPUZZODONVXKG-YUMQZZPRSA-N -1 0 367.401 -0.060 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCCCC1 ZINC000845520305 661230859 /nfs/dbraw/zinc/23/08/59/661230859.db2.gz UIBACAZGLKLJMQ-GHMZBOCLSA-N -1 0 373.435 -0.024 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCCCC1 ZINC000845520306 661230880 /nfs/dbraw/zinc/23/08/80/661230880.db2.gz UIBACAZGLKLJMQ-MNOVXSKESA-N -1 0 373.435 -0.024 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCCCC1 ZINC000845520307 661230922 /nfs/dbraw/zinc/23/09/22/661230922.db2.gz UIBACAZGLKLJMQ-QWRGUYRKSA-N -1 0 373.435 -0.024 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCCCC1 ZINC000845520309 661230918 /nfs/dbraw/zinc/23/09/18/661230918.db2.gz UIBACAZGLKLJMQ-WDEREUQCSA-N -1 0 373.435 -0.024 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCC2)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000845522599 661230871 /nfs/dbraw/zinc/23/08/71/661230871.db2.gz CRUBOTOCDRFWGL-UHFFFAOYSA-N -1 0 366.403 -0.971 20 0 FBADRM CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)co1 ZINC000845522981 661230882 /nfs/dbraw/zinc/23/08/82/661230882.db2.gz GDROJDKMRLWAEL-UHFFFAOYSA-N -1 0 359.385 -0.056 20 0 FBADRM COc1ccc(CCS(=O)(=O)[N-]C(=O)Cn2cnc(C(N)=O)n2)cc1 ZINC000845523804 661230894 /nfs/dbraw/zinc/23/08/94/661230894.db2.gz NTLTUYXZMUTVLB-UHFFFAOYSA-N -1 0 367.387 -0.926 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CC1(Cn2cnnn2)CCCCC1 ZINC000845524131 661231178 /nfs/dbraw/zinc/23/11/78/661231178.db2.gz SGJMAUPGLCIWJF-UHFFFAOYSA-N -1 0 368.423 -0.353 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)C1(n2cnnn2)CCCCC1 ZINC000845524155 661231190 /nfs/dbraw/zinc/23/11/90/661231190.db2.gz UIQKOZUAEAVIQF-UHFFFAOYSA-N -1 0 365.419 -0.020 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)C(C)(C)NC(=O)COC(C)(C)C ZINC000845524412 661231124 /nfs/dbraw/zinc/23/11/24/661231124.db2.gz VJHVZANDHOQSFC-UHFFFAOYSA-N -1 0 361.424 -0.670 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCC2)[N-]S(=O)(=O)c1ncccc1F ZINC000845528017 661231288 /nfs/dbraw/zinc/23/12/88/661231288.db2.gz RFDODXKTHYULAB-UHFFFAOYSA-N -1 0 355.351 -0.580 20 0 FBADRM CCN(c1ccccc1C)S(=O)(=O)[N-]C(=O)Cn1cnc(C(N)=O)n1 ZINC000845528091 661231185 /nfs/dbraw/zinc/23/11/85/661231185.db2.gz YTXPTJUNQCIBJM-UHFFFAOYSA-N -1 0 366.403 -0.427 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCC3)cn1 ZINC000845529781 661231294 /nfs/dbraw/zinc/23/12/94/661231294.db2.gz BNAJTUPHSXADLP-UHFFFAOYSA-N -1 0 367.387 -0.710 20 0 FBADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)Cn2cnc(C(N)=O)n2)c(C)c1 ZINC000845529859 661231226 /nfs/dbraw/zinc/23/12/26/661231226.db2.gz ATQWYEXTZQMMLG-UHFFFAOYSA-N -1 0 351.388 -0.360 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCC(C(=O)OCC)([S@](C)=O)CC1 ZINC000845530059 661231286 /nfs/dbraw/zinc/23/12/86/661231286.db2.gz FPCKTEUCSFIZCG-DEOSSOPVSA-N -1 0 363.436 -0.460 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCC(C(=O)OCC)([S@@](C)=O)CC1 ZINC000845530060 661231144 /nfs/dbraw/zinc/23/11/44/661231144.db2.gz FPCKTEUCSFIZCG-XMMPIXPASA-N -1 0 363.436 -0.460 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)Cn2cnc(C(N)=O)n2)c(C)c1 ZINC000845530595 661231196 /nfs/dbraw/zinc/23/11/96/661231196.db2.gz KBXIFNXSBUVEAH-UHFFFAOYSA-N -1 0 367.387 -0.411 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000845530914 661231136 /nfs/dbraw/zinc/23/11/36/661231136.db2.gz UULRIPSMUYMTFC-UHFFFAOYSA-N -1 0 358.420 -0.196 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCCn1cc(Br)ccc1=O ZINC000845531345 661231165 /nfs/dbraw/zinc/23/11/65/661231165.db2.gz ZFDQKOKJKDMKFI-UHFFFAOYSA-N -1 0 361.196 -0.022 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000845531660 661231278 /nfs/dbraw/zinc/23/12/78/661231278.db2.gz FRIGAXIQOSVCBJ-UHFFFAOYSA-N -1 0 374.419 -0.578 20 0 FBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000845532291 661231295 /nfs/dbraw/zinc/23/12/95/661231295.db2.gz JLTDVHJAVGOTAY-UHFFFAOYSA-N -1 0 360.436 -0.358 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 ZINC000845532298 661231280 /nfs/dbraw/zinc/23/12/80/661231280.db2.gz JOXSNVYABPFUCY-UHFFFAOYSA-N -1 0 360.392 -0.791 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000845532371 661231276 /nfs/dbraw/zinc/23/12/76/661231276.db2.gz KJKUZXAPBVTGTK-LBPRGKRZSA-N -1 0 370.431 -0.184 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCN(C(=O)c2cc(C)n[nH]2)C[C@H]1C ZINC000845533048 661231211 /nfs/dbraw/zinc/23/12/11/661231211.db2.gz AERQNJWTKNFCHJ-LLVKDONJSA-N -1 0 352.395 -0.358 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000845533063 661231269 /nfs/dbraw/zinc/23/12/69/661231269.db2.gz AJOLVDNKXXMWEZ-LLVKDONJSA-N -1 0 360.411 -0.011 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000845533064 661231202 /nfs/dbraw/zinc/23/12/02/661231202.db2.gz AJOLVDNKXXMWEZ-NSHDSACASA-N -1 0 360.411 -0.011 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000845533076 661231305 /nfs/dbraw/zinc/23/13/05/661231305.db2.gz ROAOABPQZRSTMV-LLVKDONJSA-N -1 0 362.452 -0.443 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000845533078 661231284 /nfs/dbraw/zinc/23/12/84/661231284.db2.gz ROAOABPQZRSTMV-NSHDSACASA-N -1 0 362.452 -0.443 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCc2c(cccc2S(=O)(=O)NC)C1 ZINC000845533529 661231275 /nfs/dbraw/zinc/23/12/75/661231275.db2.gz BMIUCTVMSUYISU-UHFFFAOYSA-N -1 0 370.431 -0.270 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1 ZINC000845533582 661231264 /nfs/dbraw/zinc/23/12/64/661231264.db2.gz FIOCGUVMGXYESF-UHFFFAOYSA-N -1 0 360.411 -0.275 20 0 FBADRM CCNS(=O)(=O)c1cccc(CNC(=O)NCC(=O)[N-]OCC)c1 ZINC000845533619 661231298 /nfs/dbraw/zinc/23/12/98/661231298.db2.gz FSIXUIZKTZLACO-UHFFFAOYSA-N -1 0 358.420 -0.148 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000845535941 661231591 /nfs/dbraw/zinc/23/15/91/661231591.db2.gz VVISAETZFPXLFV-LLVKDONJSA-N -1 0 350.441 -0.633 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000845535942 661231540 /nfs/dbraw/zinc/23/15/40/661231540.db2.gz VVISAETZFPXLFV-NSHDSACASA-N -1 0 350.441 -0.633 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCC(=O)NCCc1ccccc1OC ZINC000845535981 661231472 /nfs/dbraw/zinc/23/14/72/661231472.db2.gz PJTOXLPWDBDEBB-UHFFFAOYSA-N -1 0 352.391 -0.279 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000845536127 661231482 /nfs/dbraw/zinc/23/14/82/661231482.db2.gz OATAVJDREFODHW-JTQLQIEISA-N -1 0 357.388 -0.412 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000845536128 661231524 /nfs/dbraw/zinc/23/15/24/661231524.db2.gz OATAVJDREFODHW-SNVBAGLBSA-N -1 0 357.388 -0.412 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000845536195 661231489 /nfs/dbraw/zinc/23/14/89/661231489.db2.gz SNIRMYMUWQHLLC-UHFFFAOYSA-N -1 0 362.452 -0.346 20 0 FBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCC3)s1 ZINC000845536894 661231549 /nfs/dbraw/zinc/23/15/49/661231549.db2.gz ROKZUXMSBLMQLI-UHFFFAOYSA-N -1 0 357.417 -0.349 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCC1(N2CCOCC2)CC(OCC)C1 ZINC000845537405 661231562 /nfs/dbraw/zinc/23/15/62/661231562.db2.gz DIZFMESEPHNEHB-UHFFFAOYSA-N -1 0 358.439 -0.377 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CC[S@@](=O)C[C@H]1c1cnn(CC)c1 ZINC000845537989 661231598 /nfs/dbraw/zinc/23/15/98/661231598.db2.gz KIHVAUIAMRYFOC-FNODVLLQSA-N -1 0 357.436 -0.214 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CC[S@](=O)C[C@H]1c1cnn(CC)c1 ZINC000845537990 661231595 /nfs/dbraw/zinc/23/15/95/661231595.db2.gz KIHVAUIAMRYFOC-MCFWBGNESA-N -1 0 357.436 -0.214 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CC[S@@](=O)C[C@@H]1c1cnn(CC)c1 ZINC000845537991 661231495 /nfs/dbraw/zinc/23/14/95/661231495.db2.gz KIHVAUIAMRYFOC-OIRASMEMSA-N -1 0 357.436 -0.214 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CC[S@](=O)C[C@@H]1c1cnn(CC)c1 ZINC000845537992 661231437 /nfs/dbraw/zinc/23/14/37/661231437.db2.gz KIHVAUIAMRYFOC-YYUOZPCZSA-N -1 0 357.436 -0.214 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCN(Cc2nc(COC)no2)CC1 ZINC000845538193 661231518 /nfs/dbraw/zinc/23/15/18/661231518.db2.gz RZHIGOIKCUYFAB-UHFFFAOYSA-N -1 0 356.383 -0.889 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000845538796 661231466 /nfs/dbraw/zinc/23/14/66/661231466.db2.gz QXJRESFXMCRHLU-UHFFFAOYSA-N -1 0 364.468 -0.054 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCCOc1ccc(NS(C)(=O)=O)cc1 ZINC000845539134 661231580 /nfs/dbraw/zinc/23/15/80/661231580.db2.gz FEOANNTUACMCND-UHFFFAOYSA-N -1 0 374.419 -0.196 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000845539271 661231543 /nfs/dbraw/zinc/23/15/43/661231543.db2.gz UWKDFVOCAQKTLW-UHFFFAOYSA-N -1 0 359.404 -0.681 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1 ZINC000845539383 661231677 /nfs/dbraw/zinc/23/16/77/661231677.db2.gz GDHDWRKTHKIFHR-UHFFFAOYSA-N -1 0 354.367 -0.521 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCc1ccc(S(=O)(=O)CCOC)cc1 ZINC000845539675 661231657 /nfs/dbraw/zinc/23/16/57/661231657.db2.gz YDIJFTGLBDONEW-UHFFFAOYSA-N -1 0 373.431 -0.026 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000845539795 661231690 /nfs/dbraw/zinc/23/16/90/661231690.db2.gz IZGARWKJBLYRQF-LLVKDONJSA-N -1 0 360.411 -0.011 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000845539797 661231704 /nfs/dbraw/zinc/23/17/04/661231704.db2.gz IZGARWKJBLYRQF-NSHDSACASA-N -1 0 360.411 -0.011 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N(CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000845540496 661231707 /nfs/dbraw/zinc/23/17/07/661231707.db2.gz PZNKUBSTISMKKZ-LLVKDONJSA-N -1 0 351.425 -0.711 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N(CCCOC)[C@H]1CCS(=O)(=O)C1 ZINC000845540503 661231667 /nfs/dbraw/zinc/23/16/67/661231667.db2.gz PZNKUBSTISMKKZ-NSHDSACASA-N -1 0 351.425 -0.711 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000845540613 661231650 /nfs/dbraw/zinc/23/16/50/661231650.db2.gz JYOVRRRIIYUIRH-SECBINFHSA-N -1 0 365.433 -0.750 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000845540614 661231645 /nfs/dbraw/zinc/23/16/45/661231645.db2.gz JYOVRRRIIYUIRH-VIFPVBQESA-N -1 0 365.433 -0.750 20 0 FBADRM CCNS(=O)(=O)c1ccc(CNC(=O)NCC(=O)[N-]OCC)cc1 ZINC000845540670 661231638 /nfs/dbraw/zinc/23/16/38/661231638.db2.gz BPBQCEHVJLXIFI-UHFFFAOYSA-N -1 0 358.420 -0.148 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000845540758 661231685 /nfs/dbraw/zinc/23/16/85/661231685.db2.gz RBZCDHFPZNKEDF-UHFFFAOYSA-N -1 0 364.468 -0.197 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCC(C(=O)NCC(=O)OCC)CC1 ZINC000845541065 661231636 /nfs/dbraw/zinc/23/16/36/661231636.db2.gz FQRIINCHYAZZMU-UHFFFAOYSA-N -1 0 358.395 -0.845 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000845541094 661231710 /nfs/dbraw/zinc/23/17/10/661231710.db2.gz GMAAYHQUXQDCLH-UHFFFAOYSA-N -1 0 350.422 -0.607 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000845541388 661231634 /nfs/dbraw/zinc/23/16/34/661231634.db2.gz UFMBWOQRVVFDAZ-LLVKDONJSA-N -1 0 352.395 -0.722 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000845541389 661231746 /nfs/dbraw/zinc/23/17/46/661231746.db2.gz UFMBWOQRVVFDAZ-NSHDSACASA-N -1 0 352.395 -0.722 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000845541522 661231663 /nfs/dbraw/zinc/23/16/63/661231663.db2.gz JWCRZTAZSLEPBD-UHFFFAOYSA-N -1 0 364.449 -0.298 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000845541785 661231759 /nfs/dbraw/zinc/23/17/59/661231759.db2.gz VLEOQHQMUBRJBF-UHFFFAOYSA-N -1 0 355.370 -0.076 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000845541964 661231768 /nfs/dbraw/zinc/23/17/68/661231768.db2.gz XCCICILZJRPMRO-JTQLQIEISA-N -1 0 354.367 -0.521 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000845541965 661231681 /nfs/dbraw/zinc/23/16/81/661231681.db2.gz XCCICILZJRPMRO-SNVBAGLBSA-N -1 0 354.367 -0.521 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000845542014 661231724 /nfs/dbraw/zinc/23/17/24/661231724.db2.gz RVXRWZQLUZEBRT-SECBINFHSA-N -1 0 352.355 -0.081 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N[C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000845542016 661231671 /nfs/dbraw/zinc/23/16/71/661231671.db2.gz RVXRWZQLUZEBRT-VIFPVBQESA-N -1 0 352.355 -0.081 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCC1CCN(S(=O)(=O)CC)CC1 ZINC000845542224 661231654 /nfs/dbraw/zinc/23/16/54/661231654.db2.gz ZEAMIWIOCZINTJ-UHFFFAOYSA-N -1 0 350.441 -0.585 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000845542282 661231641 /nfs/dbraw/zinc/23/16/41/661231641.db2.gz QEQQXVBTYRGAPG-UHFFFAOYSA-N -1 0 364.449 -0.265 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000845543304 661231728 /nfs/dbraw/zinc/23/17/28/661231728.db2.gz GZACFIOUUZDFLI-UHFFFAOYSA-N -1 0 372.447 -0.018 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000845544131 661231912 /nfs/dbraw/zinc/23/19/12/661231912.db2.gz OETINYZSQIBSMV-CYBMUJFWSA-N -1 0 355.439 -0.608 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000845544132 661231876 /nfs/dbraw/zinc/23/18/76/661231876.db2.gz OETINYZSQIBSMV-ZDUSSCGKSA-N -1 0 355.439 -0.608 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NC[C@H](CO)Cc1ccc(OC)c(O)c1 ZINC000845544823 661231934 /nfs/dbraw/zinc/23/19/34/661231934.db2.gz NLPLQYYJLLAHRJ-GFCCVEGCSA-N -1 0 355.391 -0.081 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NC[C@@H](CO)Cc1ccc(OC)c(O)c1 ZINC000845544824 661231927 /nfs/dbraw/zinc/23/19/27/661231927.db2.gz NLPLQYYJLLAHRJ-LBPRGKRZSA-N -1 0 355.391 -0.081 20 0 FBADRM COc1cc(C)c(S(=O)(=O)[N-]C(=O)Cn2cnc(C(N)=O)n2)cc1C ZINC000845545209 661231884 /nfs/dbraw/zinc/23/18/84/661231884.db2.gz GCMJTXLEACLHIR-UHFFFAOYSA-N -1 0 367.387 -0.492 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000845545356 661231923 /nfs/dbraw/zinc/23/19/23/661231923.db2.gz IVLNXRMSNANKRZ-UHFFFAOYSA-N -1 0 372.394 -0.382 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000845545749 661231887 /nfs/dbraw/zinc/23/18/87/661231887.db2.gz KITGZDWRZOJNOU-UHFFFAOYSA-N -1 0 350.441 -0.490 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000845546344 661231968 /nfs/dbraw/zinc/23/19/68/661231968.db2.gz RMAQLEPMSUHAMR-UHFFFAOYSA-N -1 0 358.420 -0.051 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC000845546371 661231939 /nfs/dbraw/zinc/23/19/39/661231939.db2.gz SFVHGQKIXYAENV-UHFFFAOYSA-N -1 0 350.441 -0.490 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000845547034 661231929 /nfs/dbraw/zinc/23/19/29/661231929.db2.gz PIGFATXGLDGPOY-UHFFFAOYSA-N -1 0 350.379 -0.920 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000845547315 661231945 /nfs/dbraw/zinc/23/19/45/661231945.db2.gz LKHVLSHWTUBNIQ-UHFFFAOYSA-N -1 0 359.404 -0.164 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCc1ccc(S(=O)(=O)NC)s1 ZINC000845549016 661231921 /nfs/dbraw/zinc/23/19/21/661231921.db2.gz AOPRCQFDRLITDR-UHFFFAOYSA-N -1 0 350.422 -0.477 20 0 FBADRM CCCS(=O)(=O)NC1CCN(C(=O)NCC(=O)[N-]OCC)CC1 ZINC000845549448 661231924 /nfs/dbraw/zinc/23/19/24/661231924.db2.gz IRTYHDXXWDDGHP-UHFFFAOYSA-N -1 0 350.441 -0.443 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCCNS(=O)(=O)c1ccc(C)cc1 ZINC000845549772 661231943 /nfs/dbraw/zinc/23/19/43/661231943.db2.gz KZRQNZIBSATSID-UHFFFAOYSA-N -1 0 358.420 -0.360 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000845549791 661231971 /nfs/dbraw/zinc/23/19/71/661231971.db2.gz LNFGJNFJBMYZNY-UHFFFAOYSA-N -1 0 358.420 -0.527 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000845549792 661231935 /nfs/dbraw/zinc/23/19/35/661231935.db2.gz LNMMUOFPOUZYFT-JTQLQIEISA-N -1 0 355.347 -0.478 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000845549793 661232173 /nfs/dbraw/zinc/23/21/73/661232173.db2.gz LNMMUOFPOUZYFT-SNVBAGLBSA-N -1 0 355.347 -0.478 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCC2)[N-]S(=O)(=O)Cc1ccccn1 ZINC000845549919 661232107 /nfs/dbraw/zinc/23/21/07/661232107.db2.gz HCPYUABNRXFGKW-UHFFFAOYSA-N -1 0 351.388 -0.578 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCC2)[N-]S(=O)(=O)CCC(F)(F)F ZINC000845550153 661232089 /nfs/dbraw/zinc/23/20/89/661232089.db2.gz DEBGTAJNDRAUPZ-UHFFFAOYSA-N -1 0 356.326 -0.221 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000845550234 661232141 /nfs/dbraw/zinc/23/21/41/661232141.db2.gz QEUAQPBWEMEEAT-UHFFFAOYSA-N -1 0 350.441 -0.395 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000845550274 661232181 /nfs/dbraw/zinc/23/21/81/661232181.db2.gz LTJTUPZEDMMCOQ-UHFFFAOYSA-N -1 0 350.375 -0.073 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCc1ccc(OCC(N)=O)c(OC)c1 ZINC000845550837 661232074 /nfs/dbraw/zinc/23/20/74/661232074.db2.gz WVGIVZBKGVYXKH-UHFFFAOYSA-N -1 0 354.363 -0.574 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCc1ccc(CS(=O)(=O)NC)cc1 ZINC000845551045 661232167 /nfs/dbraw/zinc/23/21/67/661232167.db2.gz NYCHMCPZXUGQIT-UHFFFAOYSA-N -1 0 358.420 -0.397 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000845551060 661232196 /nfs/dbraw/zinc/23/21/96/661232196.db2.gz OPJVKZHOLUWVCC-UHFFFAOYSA-N -1 0 350.379 -0.920 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000845551070 661232179 /nfs/dbraw/zinc/23/21/79/661232179.db2.gz OZBWACYFRJOUCN-UHFFFAOYSA-N -1 0 355.439 -0.750 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000845551088 661232126 /nfs/dbraw/zinc/23/21/26/661232126.db2.gz YRVNIOAHCMETDO-UHFFFAOYSA-N -1 0 350.375 -0.073 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000845551093 661232162 /nfs/dbraw/zinc/23/21/62/661232162.db2.gz YWLKKRDBSSYBPY-UHFFFAOYSA-N -1 0 350.375 -0.073 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000845551122 661232190 /nfs/dbraw/zinc/23/21/90/661232190.db2.gz ZVMCJDDZMIBWTR-UHFFFAOYSA-N -1 0 358.420 -0.196 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)NCC(=O)[N-]OCC)CC1 ZINC000845551131 661232188 /nfs/dbraw/zinc/23/21/88/661232188.db2.gz ADTCKVXVTRDOLZ-UHFFFAOYSA-N -1 0 350.441 -0.443 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCCN(CC(=O)N(CC)CC)CC1 ZINC000845551167 661232193 /nfs/dbraw/zinc/23/21/93/661232193.db2.gz BIJPNLLHBMBWRM-UHFFFAOYSA-N -1 0 357.455 -0.360 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000845551332 661232184 /nfs/dbraw/zinc/23/21/84/661232184.db2.gz PTMWSSNYZWKIFV-UHFFFAOYSA-N -1 0 370.431 -0.230 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000845551434 661232189 /nfs/dbraw/zinc/23/21/89/661232189.db2.gz BJQAAVXHOPPYJN-LLVKDONJSA-N -1 0 350.441 -0.443 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000845551436 661232062 /nfs/dbraw/zinc/23/20/62/661232062.db2.gz BJQAAVXHOPPYJN-NSHDSACASA-N -1 0 350.441 -0.443 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000845551736 661232085 /nfs/dbraw/zinc/23/20/85/661232085.db2.gz FDHGVECMXFYKFU-UHFFFAOYSA-N -1 0 356.408 -0.034 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000845551868 661232122 /nfs/dbraw/zinc/23/21/22/661232122.db2.gz WFVNCFJVDNJQLF-UHFFFAOYSA-N -1 0 358.420 -0.527 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F ZINC000845551917 661232178 /nfs/dbraw/zinc/23/21/78/661232178.db2.gz HREKAUKQEHALCW-GFCCVEGCSA-N -1 0 367.328 -0.073 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F ZINC000845551918 661232115 /nfs/dbraw/zinc/23/21/15/661232115.db2.gz HREKAUKQEHALCW-LBPRGKRZSA-N -1 0 367.328 -0.073 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000845552694 661232057 /nfs/dbraw/zinc/23/20/57/661232057.db2.gz ICSIUMYKLJKLOH-UHFFFAOYSA-N -1 0 355.395 -0.392 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000845552970 661232187 /nfs/dbraw/zinc/23/21/87/661232187.db2.gz QQHLUFPBANXMNI-UHFFFAOYSA-N -1 0 358.420 -0.196 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000845553271 661232081 /nfs/dbraw/zinc/23/20/81/661232081.db2.gz VBFLXPQRFNIDGN-UHFFFAOYSA-N -1 0 355.439 -0.606 20 0 FBADRM COCc1cccc(CS(=O)(=O)[N-]C(=O)Cn2cnc(C(N)=O)n2)c1 ZINC000845554524 661232343 /nfs/dbraw/zinc/23/23/43/661232343.db2.gz LTQLKPMDHHGVHS-UHFFFAOYSA-N -1 0 367.387 -0.830 20 0 FBADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]C(=O)Cn1cnc(C(N)=O)n1 ZINC000845555616 661232317 /nfs/dbraw/zinc/23/23/17/661232317.db2.gz JJKHHYWHZXYORW-UHFFFAOYSA-N -1 0 367.387 -0.492 20 0 FBADRM Cc1cc(C)cc(CS(=O)(=O)[N-]C(=O)Cn2cnc(C(N)=O)n2)c1 ZINC000845555789 661232237 /nfs/dbraw/zinc/23/22/37/661232237.db2.gz LFWWEQZQPNYYLK-UHFFFAOYSA-N -1 0 351.388 -0.360 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCCCC1 ZINC000845555874 661232335 /nfs/dbraw/zinc/23/23/35/661232335.db2.gz UPOIWINSLGOKAS-UHFFFAOYSA-N -1 0 355.380 -0.284 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCC2)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000845563671 661232450 /nfs/dbraw/zinc/23/24/50/661232450.db2.gz KISDSLSLHIBYHE-LLVKDONJSA-N -1 0 358.420 -0.746 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCC2)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000845563672 661232490 /nfs/dbraw/zinc/23/24/90/661232490.db2.gz KISDSLSLHIBYHE-NSHDSACASA-N -1 0 358.420 -0.746 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)C(C)(C)NC(=O)COC(C)(C)C ZINC000845569034 661232680 /nfs/dbraw/zinc/23/26/80/661232680.db2.gz HBZLKGSTVNSOMB-UHFFFAOYSA-N -1 0 366.436 -0.295 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccc(-n2nnnc2C)cc1 ZINC000845570537 661232704 /nfs/dbraw/zinc/23/27/04/661232704.db2.gz ZZDBWBRNYCTWJV-UHFFFAOYSA-N -1 0 353.360 -0.407 20 0 FBADRM COCc1ccccc1CS(=O)(=O)[N-]C(=O)Cn1cnc(C(N)=O)n1 ZINC000845570601 661232887 /nfs/dbraw/zinc/23/28/87/661232887.db2.gz ZZJCBSBBJTZFNE-UHFFFAOYSA-N -1 0 367.387 -0.830 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCCCC1 ZINC000845571166 661232846 /nfs/dbraw/zinc/23/28/46/661232846.db2.gz VVCUUOYABFJJPG-UHFFFAOYSA-N -1 0 353.408 -0.120 20 0 FBADRM CSc1cccnc1C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000845574130 661232833 /nfs/dbraw/zinc/23/28/33/661232833.db2.gz FXOPHEWRSRXEPI-UHFFFAOYSA-N -1 0 358.445 -0.058 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)Cc2cn3c(n2)CCCC3)CC1 ZINC000845574162 661232857 /nfs/dbraw/zinc/23/28/57/661232857.db2.gz GHZQCDDUNAVKSN-UHFFFAOYSA-N -1 0 369.447 -0.713 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCCCC1 ZINC000845574755 661232817 /nfs/dbraw/zinc/23/28/17/661232817.db2.gz BQSJYXOYFKHDTA-UHFFFAOYSA-N -1 0 353.408 -0.120 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cnc3n2[C@H](C)CCC3)CC1 ZINC000845574896 661232862 /nfs/dbraw/zinc/23/28/62/661232862.db2.gz KTEWVZLNJMDCIS-LLVKDONJSA-N -1 0 369.447 -0.081 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cnc3n2[C@@H](C)CCC3)CC1 ZINC000845574897 661232909 /nfs/dbraw/zinc/23/29/09/661232909.db2.gz KTEWVZLNJMDCIS-NSHDSACASA-N -1 0 369.447 -0.081 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)C2(n3cnnn3)CCCCC2)cnn1C ZINC000845575123 661232821 /nfs/dbraw/zinc/23/28/21/661232821.db2.gz DYQJCYKSPFHFHX-UHFFFAOYSA-N -1 0 353.408 -0.120 20 0 FBADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)Cn1cnc(C(N)=O)n1 ZINC000845575562 661232891 /nfs/dbraw/zinc/23/28/91/661232891.db2.gz HMWREGOZUBJQIQ-LLVKDONJSA-N -1 0 351.388 -0.026 20 0 FBADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)Cn1cnc(C(N)=O)n1 ZINC000845575563 661232806 /nfs/dbraw/zinc/23/28/06/661232806.db2.gz HMWREGOZUBJQIQ-NSHDSACASA-N -1 0 351.388 -0.026 20 0 FBADRM CO[C@H](CC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1)C(F)(F)F ZINC000845576502 661232913 /nfs/dbraw/zinc/23/29/13/661232913.db2.gz YHVJYVBKCLLTPJ-SECBINFHSA-N -1 0 361.342 -0.521 20 0 FBADRM CO[C@@H](CC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1)C(F)(F)F ZINC000845576503 661232835 /nfs/dbraw/zinc/23/28/35/661232835.db2.gz YHVJYVBKCLLTPJ-VIFPVBQESA-N -1 0 361.342 -0.521 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000845578535 661232882 /nfs/dbraw/zinc/23/28/82/661232882.db2.gz HNVGLCIZIRDFNZ-UHFFFAOYSA-N -1 0 374.419 -0.974 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1coc(S(C)(=O)=O)c1 ZINC000845578650 661232868 /nfs/dbraw/zinc/23/28/68/661232868.db2.gz HZLOQDLOHZXAQB-UHFFFAOYSA-N -1 0 367.401 -0.058 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCCCC1 ZINC000845579056 661232864 /nfs/dbraw/zinc/23/28/64/661232864.db2.gz OIUYUAVEFCAADV-UHFFFAOYSA-N -1 0 373.435 -0.022 20 0 FBADRM Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)Cn1cnc(C(N)=O)n1 ZINC000845580396 661232854 /nfs/dbraw/zinc/23/28/54/661232854.db2.gz MLEOFYWPOGLOFT-UHFFFAOYSA-N -1 0 351.388 -0.360 20 0 FBADRM NC(=O)c1ncn(CC(=O)[N-]S(=O)(=O)CCOCc2ccccc2)n1 ZINC000845582777 661233079 /nfs/dbraw/zinc/23/30/79/661233079.db2.gz PJVGBRCRJAWJCX-UHFFFAOYSA-N -1 0 367.387 -0.960 20 0 FBADRM CCc1csc(S(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCC3)n1 ZINC000845585245 661232987 /nfs/dbraw/zinc/23/29/87/661232987.db2.gz BXDYIWGPXSYYGO-UHFFFAOYSA-N -1 0 371.444 -0.095 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCC3)sc1C ZINC000845587295 661233101 /nfs/dbraw/zinc/23/31/01/661233101.db2.gz LAMYJMHYBMUOGJ-UHFFFAOYSA-N -1 0 371.444 -0.040 20 0 FBADRM NC(=O)c1ncn(CC(=O)[N-]S(=O)(=O)[C@@H]2CCCc3ccccc32)n1 ZINC000845587311 661233128 /nfs/dbraw/zinc/23/31/28/661233128.db2.gz LGTAMYSYRXPKRV-GFCCVEGCSA-N -1 0 363.399 -0.099 20 0 FBADRM NC(=O)c1ncn(CC(=O)[N-]S(=O)(=O)[C@H]2CCCc3ccccc32)n1 ZINC000845587312 661233086 /nfs/dbraw/zinc/23/30/86/661233086.db2.gz LGTAMYSYRXPKRV-LBPRGKRZSA-N -1 0 363.399 -0.099 20 0 FBADRM CCCc1ccccc1S(=O)(=O)[N-]C(=O)Cn1cnc(C(N)=O)n1 ZINC000845588223 661233061 /nfs/dbraw/zinc/23/30/61/661233061.db2.gz BEXHJAXWZNKAQQ-UHFFFAOYSA-N -1 0 351.388 -0.165 20 0 FBADRM CC(C)Oc1cncc(S(=O)(=O)[N-]C(=O)Cn2cnc(C(N)=O)n2)c1 ZINC000845589591 661233119 /nfs/dbraw/zinc/23/31/19/661233119.db2.gz NTLKRIZRKVAODQ-UHFFFAOYSA-N -1 0 368.375 -0.936 20 0 FBADRM CC(C)n1cc(S(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCC3)cn1 ZINC000845589594 661232997 /nfs/dbraw/zinc/23/29/97/661232997.db2.gz NVEIWAKJTOBIET-UHFFFAOYSA-N -1 0 368.419 -0.336 20 0 FBADRM CC(C)(C)OCCS(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000845589671 661233133 /nfs/dbraw/zinc/23/31/33/661233133.db2.gz GIFGFELVOYNUEY-UHFFFAOYSA-N -1 0 360.436 -0.358 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCC2)[N-]S(=O)(=O)c1ccc(F)cn1 ZINC000845594036 661233040 /nfs/dbraw/zinc/23/30/40/661233040.db2.gz NASPUDSRWRMOLR-UHFFFAOYSA-N -1 0 355.351 -0.580 20 0 FBADRM CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000845594304 661232981 /nfs/dbraw/zinc/23/29/81/661232981.db2.gz WUCBYDLGKXGFLO-UHFFFAOYSA-N -1 0 366.403 -0.371 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)C2(n3cnnn3)CCCCC2)cn1C ZINC000845598286 661233027 /nfs/dbraw/zinc/23/30/27/661233027.db2.gz LJVIODHVUWNSES-UHFFFAOYSA-N -1 0 353.408 -0.120 20 0 FBADRM Cc1ccncc1S(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000845600842 661233108 /nfs/dbraw/zinc/23/31/08/661233108.db2.gz GGDBOOKYHQHUOP-UHFFFAOYSA-N -1 0 351.388 -0.410 20 0 FBADRM CCO[N-]C(=O)CNc1ncc(Br)cc1S(N)(=O)=O ZINC000845713829 661233591 /nfs/dbraw/zinc/23/35/91/661233591.db2.gz PBHGDAHWQUSXEM-UHFFFAOYSA-N -1 0 353.198 -0.029 20 0 FBADRM CCO[N-]C(=O)CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000845715762 661233604 /nfs/dbraw/zinc/23/36/04/661233604.db2.gz POQVFKGIIZZZNA-UHFFFAOYSA-N -1 0 350.418 -0.027 20 0 FBADRM CCO[N-]C(=O)CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 ZINC000845716556 661233542 /nfs/dbraw/zinc/23/35/42/661233542.db2.gz WMNHZSTVFDMTEP-UHFFFAOYSA-N -1 0 357.436 -0.503 20 0 FBADRM CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000845767003 661233868 /nfs/dbraw/zinc/23/38/68/661233868.db2.gz IENODRKHEFBREA-SSDOTTSWSA-N -1 0 357.413 -0.071 20 0 FBADRM CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000845767005 661233769 /nfs/dbraw/zinc/23/37/69/661233769.db2.gz IENODRKHEFBREA-ZETCQYMHSA-N -1 0 357.413 -0.071 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)[C@@H]3CCNC(=O)C3)cc2sc1=O ZINC000845768177 661233753 /nfs/dbraw/zinc/23/37/53/661233753.db2.gz CXRIMPOSVSIBMH-MRVPVSSYSA-N -1 0 369.424 -0.069 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)[C@H]3CCNC(=O)C3)cc2sc1=O ZINC000845768178 661233863 /nfs/dbraw/zinc/23/38/63/661233863.db2.gz CXRIMPOSVSIBMH-QMMMGPOBSA-N -1 0 369.424 -0.069 20 0 FBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000845768507 661233870 /nfs/dbraw/zinc/23/38/70/661233870.db2.gz MKEHQBZZTUGPFN-UHFFFAOYSA-N -1 0 357.413 -0.117 20 0 FBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000845768816 661233817 /nfs/dbraw/zinc/23/38/17/661233817.db2.gz HAHSQMFUWIPSQV-UHFFFAOYSA-N -1 0 359.385 -0.239 20 0 FBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)C1 ZINC000845770758 661233780 /nfs/dbraw/zinc/23/37/80/661233780.db2.gz DHOBAPRRYIFMBX-UHFFFAOYSA-N -1 0 369.424 -0.117 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)[C@@H]3COCCO3)cc2sc1=O ZINC000845772990 661233785 /nfs/dbraw/zinc/23/37/85/661233785.db2.gz ZDKPLRRZEDKWEN-JTQLQIEISA-N -1 0 358.397 -0.180 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)[C@H]3COCCO3)cc2sc1=O ZINC000845772994 661233874 /nfs/dbraw/zinc/23/38/74/661233874.db2.gz ZDKPLRRZEDKWEN-SNVBAGLBSA-N -1 0 358.397 -0.180 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)C1=O ZINC000845773932 661234007 /nfs/dbraw/zinc/23/40/07/661234007.db2.gz QNSJOWJNEMCKNR-SECBINFHSA-N -1 0 369.424 -0.117 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)C1=O ZINC000845773934 661234027 /nfs/dbraw/zinc/23/40/27/661234027.db2.gz QNSJOWJNEMCKNR-VIFPVBQESA-N -1 0 369.424 -0.117 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000845774682 661234014 /nfs/dbraw/zinc/23/40/14/661234014.db2.gz WPOQTYXFHJRXEI-UHFFFAOYSA-N -1 0 372.428 -0.276 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)CN3CCOCC3)cc2sc1=O ZINC000845774761 661234015 /nfs/dbraw/zinc/23/40/15/661234015.db2.gz XZFDMMFCKPZVIK-UHFFFAOYSA-N -1 0 371.440 -0.263 20 0 FBADRM COc1cc(C(=O)NCCn2cnnn2)cc([N-]S(C)(=O)=O)c1OC ZINC000845802322 661234249 /nfs/dbraw/zinc/23/42/49/661234249.db2.gz URUFBPIPOSLUND-UHFFFAOYSA-N -1 0 370.391 -0.508 20 0 FBADRM O=C(NCCn1cnnn1)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000845804424 661234210 /nfs/dbraw/zinc/23/42/10/661234210.db2.gz JGOGFRWEGNWONG-UHFFFAOYSA-N -1 0 366.403 -0.407 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)CCCN2C(=O)CNC2=O)c1 ZINC000845876998 661234769 /nfs/dbraw/zinc/23/47/69/661234769.db2.gz CMPLGFMECYLYNC-UHFFFAOYSA-N -1 0 373.343 -0.797 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O)c1 ZINC000845878435 661234832 /nfs/dbraw/zinc/23/48/32/661234832.db2.gz DZVFDQXSJQQLOI-UHFFFAOYSA-N -1 0 353.374 -0.304 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)CCN2C(=O)CCC2=O)c1 ZINC000845878861 661234786 /nfs/dbraw/zinc/23/47/86/661234786.db2.gz MUHRLLXFRVAADK-UHFFFAOYSA-N -1 0 358.328 -0.590 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)CCC(=O)N2CCOCC2)c1 ZINC000845879845 661234766 /nfs/dbraw/zinc/23/47/66/661234766.db2.gz SIJOHMHONPNXLY-UHFFFAOYSA-N -1 0 374.371 -0.490 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000845880369 661234837 /nfs/dbraw/zinc/23/48/37/661234837.db2.gz WHVFNIDOQITZTH-MRVPVSSYSA-N -1 0 356.356 -0.118 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000845880373 661234807 /nfs/dbraw/zinc/23/48/07/661234807.db2.gz WHVFNIDOQITZTH-QMMMGPOBSA-N -1 0 356.356 -0.118 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)[C@]23CCC(=O)N2CCS3)c1 ZINC000845880394 661234830 /nfs/dbraw/zinc/23/48/30/661234830.db2.gz WKSMVKCYJCDFQK-CYBMUJFWSA-N -1 0 374.396 -0.063 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)[C@@]23CCC(=O)N2CCS3)c1 ZINC000845880397 661234803 /nfs/dbraw/zinc/23/48/03/661234803.db2.gz WKSMVKCYJCDFQK-ZDUSSCGKSA-N -1 0 374.396 -0.063 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)CCCN2C(=O)CCC2=O)c1 ZINC000845880484 661234698 /nfs/dbraw/zinc/23/46/98/661234698.db2.gz PKQPDMFHKRSYQM-UHFFFAOYSA-N -1 0 372.355 -0.200 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)OC)co2)CC1=O ZINC000845881393 661234820 /nfs/dbraw/zinc/23/48/20/661234820.db2.gz XGRLFFFSKWOUMN-SECBINFHSA-N -1 0 374.371 -0.634 20 0 FBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)OC)co2)CC1=O ZINC000845881394 661234844 /nfs/dbraw/zinc/23/48/44/661234844.db2.gz XGRLFFFSKWOUMN-VIFPVBQESA-N -1 0 374.371 -0.634 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)[C@H](OC)c2cnn(C)c2)c1 ZINC000845882437 661234795 /nfs/dbraw/zinc/23/47/95/661234795.db2.gz FKOMFCOVOIZLSQ-LLVKDONJSA-N -1 0 357.344 -0.008 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)[C@@H](OC)c2cnn(C)c2)c1 ZINC000845882438 661234748 /nfs/dbraw/zinc/23/47/48/661234748.db2.gz FKOMFCOVOIZLSQ-NSHDSACASA-N -1 0 357.344 -0.008 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)COCc2ccnn2C)c1 ZINC000845882788 661234842 /nfs/dbraw/zinc/23/48/42/661234842.db2.gz IIRARKGNBVFQHM-UHFFFAOYSA-N -1 0 357.344 -0.179 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)[C@H]2CCCCS2(=O)=O)c1 ZINC000845883442 661234774 /nfs/dbraw/zinc/23/47/74/661234774.db2.gz QDYVUWSQJVCIJN-SECBINFHSA-N -1 0 365.385 -0.162 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCS2(=O)=O)c1 ZINC000845883443 661234814 /nfs/dbraw/zinc/23/48/14/661234814.db2.gz QDYVUWSQJVCIJN-VIFPVBQESA-N -1 0 365.385 -0.162 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)OC)co2)nn1 ZINC000845884970 661234777 /nfs/dbraw/zinc/23/47/77/661234777.db2.gz DATDLERQCGWWHO-UHFFFAOYSA-N -1 0 358.332 -0.577 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)Cn2cc(C(C)=O)nn2)c1 ZINC000845885036 661234974 /nfs/dbraw/zinc/23/49/74/661234974.db2.gz FJXYJZCAKJZCKL-UHFFFAOYSA-N -1 0 356.316 -0.635 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)CS(=O)(=O)C2CC2)c1 ZINC000845885105 661234927 /nfs/dbraw/zinc/23/49/27/661234927.db2.gz HXVVXHNZTPTZLV-UHFFFAOYSA-N -1 0 351.358 -0.552 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3nnn(C)c3C2)c1 ZINC000845885679 661234928 /nfs/dbraw/zinc/23/49/28/661234928.db2.gz SKPRJTGPMIREKP-MRVPVSSYSA-N -1 0 368.371 -0.195 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)[C@H]2CCc3nnn(C)c3C2)c1 ZINC000845885682 661234967 /nfs/dbraw/zinc/23/49/67/661234967.db2.gz SKPRJTGPMIREKP-QMMMGPOBSA-N -1 0 368.371 -0.195 20 0 FBADRM C[C@H](CN(C)C(=O)[C@H](CO)NC(=O)c1cccc(F)n1)c1nnn[n-]1 ZINC000845940215 661235555 /nfs/dbraw/zinc/23/55/55/661235555.db2.gz UZKWKVMSLRQVKR-SCZZXKLOSA-N -1 0 351.342 -0.913 20 0 FBADRM C[C@@H](CN(C)C(=O)[C@H](CO)NC(=O)c1cccc(F)n1)c1nnn[n-]1 ZINC000845940217 661235572 /nfs/dbraw/zinc/23/55/72/661235572.db2.gz UZKWKVMSLRQVKR-WPRPVWTQSA-N -1 0 351.342 -0.913 20 0 FBADRM O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)NCCc1n[n-]c(=S)o1 ZINC000845952471 661235935 /nfs/dbraw/zinc/23/59/35/661235935.db2.gz CCKOJPAKHPQJGP-NSHDSACASA-N -1 0 368.390 -0.124 20 0 FBADRM O=C(N[C@@H](CO)C(=O)NCCc1n[n-]c(=S)o1)c1ccc(F)cc1 ZINC000845954078 661235862 /nfs/dbraw/zinc/23/58/62/661235862.db2.gz TYFISEKPHWLQMQ-JTQLQIEISA-N -1 0 354.363 -0.053 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CC1(Cn2cnnn2)CCCCC1 ZINC000846000419 661236595 /nfs/dbraw/zinc/23/65/95/661236595.db2.gz PFLQXGCMOXAEJO-UHFFFAOYSA-N -1 0 372.451 -0.404 20 0 FBADRM CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000846000574 661236642 /nfs/dbraw/zinc/23/66/42/661236642.db2.gz RRYPPHQUFYLZFG-UHFFFAOYSA-N -1 0 365.452 -0.722 20 0 FBADRM Cc1nnnn1-c1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000846001010 661236536 /nfs/dbraw/zinc/23/65/36/661236536.db2.gz YMBFSFRMVYYDFN-UHFFFAOYSA-N -1 0 352.376 -0.834 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC ZINC000846001383 661236584 /nfs/dbraw/zinc/23/65/84/661236584.db2.gz FVEDGVRYPZYQDH-UHFFFAOYSA-N -1 0 374.371 -0.394 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(OCCC(=O)OC)cc1 ZINC000846001701 661236574 /nfs/dbraw/zinc/23/65/74/661236574.db2.gz FXUXHGFOQAVLIQ-UHFFFAOYSA-N -1 0 360.388 -0.026 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cc(CNC(C)=O)ccc1OC ZINC000846001777 661236631 /nfs/dbraw/zinc/23/66/31/661236631.db2.gz HAOGKYVVMGXTLT-UHFFFAOYSA-N -1 0 359.404 -0.323 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000846001926 661236527 /nfs/dbraw/zinc/23/65/27/661236527.db2.gz IYGLIHNKINPEAA-UHFFFAOYSA-N -1 0 371.415 -0.495 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000846002013 661236560 /nfs/dbraw/zinc/23/65/60/661236560.db2.gz KHFCFRVIBCDWFY-UHFFFAOYSA-N -1 0 350.418 -0.255 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000846002015 661236628 /nfs/dbraw/zinc/23/66/28/661236628.db2.gz KIELLSXAGUDKLX-UHFFFAOYSA-N -1 0 350.418 -0.174 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000846002016 661236592 /nfs/dbraw/zinc/23/65/92/661236592.db2.gz KKKILQUAZCBMTB-UHFFFAOYSA-N -1 0 365.433 -0.717 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc2c(c1)CCN(C(C)=O)CC2 ZINC000846002092 661236649 /nfs/dbraw/zinc/23/66/49/661236649.db2.gz BKAXSTHVILVURT-UHFFFAOYSA-N -1 0 369.443 -0.020 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000846002100 661236578 /nfs/dbraw/zinc/23/65/78/661236578.db2.gz BNQWFOHULAWBGF-UHFFFAOYSA-N -1 0 371.415 -0.310 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)Cc1cccc(S(C)(=O)=O)c1 ZINC000846002135 661236550 /nfs/dbraw/zinc/23/65/50/661236550.db2.gz CWKTVQCYGXKSDD-UHFFFAOYSA-N -1 0 350.418 -0.423 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2 ZINC000846002139 661236618 /nfs/dbraw/zinc/23/66/18/661236618.db2.gz DGYORJBBVOLIOR-UHFFFAOYSA-N -1 0 359.360 -0.628 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cc(C(=O)C(=O)OCC)n(C)c1 ZINC000846002381 661236599 /nfs/dbraw/zinc/23/65/99/661236599.db2.gz GIQSKRNSKOHLDJ-UHFFFAOYSA-N -1 0 361.376 -0.883 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cc(COC)cc(C(=O)OC)c1 ZINC000846002390 661236555 /nfs/dbraw/zinc/23/65/55/661236555.db2.gz GSZPAANCLQTMBH-UHFFFAOYSA-N -1 0 360.388 -0.034 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC ZINC000846002452 661236624 /nfs/dbraw/zinc/23/66/24/661236624.db2.gz JKWJADJBUZBIJP-UHFFFAOYSA-N -1 0 366.417 -0.555 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(OC)cc1CC(=O)OC ZINC000846002453 661236566 /nfs/dbraw/zinc/23/65/66/661236566.db2.gz JLKNARPNMTVFJH-UHFFFAOYSA-N -1 0 360.388 -0.243 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000846002455 661236638 /nfs/dbraw/zinc/23/66/38/661236638.db2.gz JLZNEAKBCXPMCU-UHFFFAOYSA-N -1 0 365.433 -0.007 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000846002503 661236613 /nfs/dbraw/zinc/23/66/13/661236613.db2.gz QTMXGAPXEZWUHN-UHFFFAOYSA-N -1 0 374.371 -0.394 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000846002609 661236585 /nfs/dbraw/zinc/23/65/85/661236585.db2.gz QYXOMAVUYGMYCI-UHFFFAOYSA-N -1 0 369.396 -0.457 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1 ZINC000846002711 661236525 /nfs/dbraw/zinc/23/65/25/661236525.db2.gz LRKXKJPDSRAKIK-UHFFFAOYSA-N -1 0 365.433 -0.751 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000846002727 661236570 /nfs/dbraw/zinc/23/65/70/661236570.db2.gz MFQMMVRLISUFDS-UHFFFAOYSA-N -1 0 365.433 -0.717 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cccc(C(=O)NCCOC)c1 ZINC000846002739 661236907 /nfs/dbraw/zinc/23/69/07/661236907.db2.gz MUPHYMTWYNCMGV-UHFFFAOYSA-N -1 0 359.404 -0.591 20 0 FBADRM CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCC(=O)[N-]OCC ZINC000846002939 661236835 /nfs/dbraw/zinc/23/68/35/661236835.db2.gz PLVMIXVFSPWXKJ-UHFFFAOYSA-N -1 0 365.433 -0.669 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000846003053 661236807 /nfs/dbraw/zinc/23/68/07/661236807.db2.gz QTSCFOCMSXFFLU-UHFFFAOYSA-N -1 0 369.399 -0.340 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1nc(C)n(C)c1Br ZINC000846003054 661236839 /nfs/dbraw/zinc/23/68/39/661236839.db2.gz QUXJDIACBQVKBX-UHFFFAOYSA-N -1 0 355.214 -0.163 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000846003089 661236894 /nfs/dbraw/zinc/23/68/94/661236894.db2.gz UXMIYHMWSMHDPI-UHFFFAOYSA-N -1 0 354.381 -0.425 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000846003091 661236836 /nfs/dbraw/zinc/23/68/36/661236836.db2.gz VCSIBMJUOIZXPI-UHFFFAOYSA-N -1 0 365.433 -0.717 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000846003245 661236901 /nfs/dbraw/zinc/23/69/01/661236901.db2.gz UIWZXSDMRCFSAW-UHFFFAOYSA-N -1 0 353.400 -0.132 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000846003436 661236844 /nfs/dbraw/zinc/23/68/44/661236844.db2.gz ATQXKRMQIWCXCP-UHFFFAOYSA-N -1 0 351.768 -0.132 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(OCc2ncnn2C)cc1 ZINC000846003450 661236902 /nfs/dbraw/zinc/23/69/02/661236902.db2.gz BNFFJYRQBLTVTR-UHFFFAOYSA-N -1 0 369.403 -0.260 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 ZINC000846003607 661236861 /nfs/dbraw/zinc/23/68/61/661236861.db2.gz GKDKLUHQDARPDZ-UHFFFAOYSA-N -1 0 371.415 -0.006 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000846003625 661236841 /nfs/dbraw/zinc/23/68/41/661236841.db2.gz HBGILXDREUEWGZ-UHFFFAOYSA-N -1 0 350.418 -0.174 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000846003676 661236913 /nfs/dbraw/zinc/23/69/13/661236913.db2.gz JVBYWWRAYBQNPX-UHFFFAOYSA-N -1 0 365.795 -0.450 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)OCC)O2 ZINC000846003699 661236850 /nfs/dbraw/zinc/23/68/50/661236850.db2.gz KYDUHJJPAUXUMU-CYBMUJFWSA-N -1 0 372.399 -0.101 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)OCC)O2 ZINC000846003700 661236865 /nfs/dbraw/zinc/23/68/65/661236865.db2.gz KYDUHJJPAUXUMU-ZDUSSCGKSA-N -1 0 372.399 -0.101 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000846003720 661236909 /nfs/dbraw/zinc/23/69/09/661236909.db2.gz LPDWYUTZQLPIIM-UHFFFAOYSA-N -1 0 360.783 -0.134 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC000846003788 661236891 /nfs/dbraw/zinc/23/68/91/661236891.db2.gz OJNNCNPAAFWWFT-UHFFFAOYSA-N -1 0 359.404 -0.100 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(OC)c(C(=O)N(C)C)c1 ZINC000846003797 661236822 /nfs/dbraw/zinc/23/68/22/661236822.db2.gz ORAMSULGETWNEO-UHFFFAOYSA-N -1 0 359.404 -0.257 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000846003861 661236868 /nfs/dbraw/zinc/23/68/68/661236868.db2.gz RRBHDNHXCMZGTI-UHFFFAOYSA-N -1 0 354.381 -0.425 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000846003864 661236899 /nfs/dbraw/zinc/23/68/99/661236899.db2.gz RVRGKIYWKRQPHO-UHFFFAOYSA-N -1 0 369.396 -0.457 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000846003975 661236881 /nfs/dbraw/zinc/23/68/81/661236881.db2.gz WVEPVGXARAYTEI-UHFFFAOYSA-N -1 0 352.390 -0.111 20 0 FBADRM CCON(C)C(=O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000846004588 661237142 /nfs/dbraw/zinc/23/71/42/661237142.db2.gz QAOGZZGCLBOJKJ-UHFFFAOYSA-N -1 0 357.348 -0.876 20 0 FBADRM CNS(=O)(=O)N1CCN(C(=O)CSc2n[n-]c(=S)s2)CC1 ZINC000846089430 661238289 /nfs/dbraw/zinc/23/82/89/661238289.db2.gz QUKDBPZNNYGDST-UHFFFAOYSA-N -1 0 369.519 -0.473 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(OCC(=O)OC)c1 ZINC000846129402 661238499 /nfs/dbraw/zinc/23/84/99/661238499.db2.gz ADMPIJSUOXBIFD-UHFFFAOYSA-N -1 0 353.331 -0.639 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000846129523 661238520 /nfs/dbraw/zinc/23/85/20/661238520.db2.gz AUMVLFNSNZTOPH-UHFFFAOYSA-N -1 0 352.322 -0.167 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000846129550 661238530 /nfs/dbraw/zinc/23/85/30/661238530.db2.gz BCXXJGFTDFETHO-UHFFFAOYSA-N -1 0 350.331 -0.234 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000846129666 661238543 /nfs/dbraw/zinc/23/85/43/661238543.db2.gz CAQDZAMFOQQMKN-UHFFFAOYSA-N -1 0 352.347 -0.224 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(C(=O)OC)c(F)cc1F ZINC000846129736 661238465 /nfs/dbraw/zinc/23/84/65/661238465.db2.gz CISDNXFMGIOONR-UHFFFAOYSA-N -1 0 359.285 -0.126 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(OCC(=O)OC)cc1 ZINC000846130295 661238539 /nfs/dbraw/zinc/23/85/39/661238539.db2.gz IMHGWOLGQCHBKH-UHFFFAOYSA-N -1 0 353.331 -0.639 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000846130335 661238472 /nfs/dbraw/zinc/23/84/72/661238472.db2.gz IYFUUGNPTPUSBP-UHFFFAOYSA-N -1 0 372.403 -0.974 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(CNC(=O)OC)cc1 ZINC000846130341 661238453 /nfs/dbraw/zinc/23/84/53/661238453.db2.gz AMXWLDMLZONNCN-UHFFFAOYSA-N -1 0 352.347 -0.335 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 ZINC000846130368 661238550 /nfs/dbraw/zinc/23/85/50/661238550.db2.gz AVSUPYOPDLTSGO-UHFFFAOYSA-N -1 0 350.375 -0.181 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(OC)c(OC)c1OC ZINC000846130424 661238448 /nfs/dbraw/zinc/23/84/48/661238448.db2.gz BWDLYAIINRYVSP-UHFFFAOYSA-N -1 0 355.347 -0.165 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)NC)ccc1C ZINC000846130444 661238487 /nfs/dbraw/zinc/23/84/87/661238487.db2.gz CHGMMWMLKLEUDN-UHFFFAOYSA-N -1 0 372.403 -0.974 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 ZINC000846130474 661238504 /nfs/dbraw/zinc/23/85/04/661238504.db2.gz DEIUMVOMYUUUQN-UHFFFAOYSA-N -1 0 350.375 -0.181 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccccc1N1CCOC1=O ZINC000846130503 661238526 /nfs/dbraw/zinc/23/85/26/661238526.db2.gz FEVJOZVZHWFFOH-UHFFFAOYSA-N -1 0 350.331 -0.234 20 0 FBADRM CCNC(=O)c1ccc(NC(=O)C(=O)NCC(=O)[N-]OCC)c(C)c1 ZINC000846130748 661238510 /nfs/dbraw/zinc/23/85/10/661238510.db2.gz KRVAIJPWLBZGBP-UHFFFAOYSA-N -1 0 350.375 -0.133 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000846130881 661238547 /nfs/dbraw/zinc/23/85/47/661238547.db2.gz GLSPKHUUNZGVTJ-UHFFFAOYSA-N -1 0 372.403 -0.941 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(C(=O)N(C)OC)cc1 ZINC000846130921 661238475 /nfs/dbraw/zinc/23/84/75/661238475.db2.gz GYOLPBPNWXREJC-UHFFFAOYSA-N -1 0 352.347 -0.558 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000846130957 661238536 /nfs/dbraw/zinc/23/85/36/661238536.db2.gz ICVBOXCERRCMHG-UHFFFAOYSA-N -1 0 372.403 -0.927 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(CC(=O)OCC)c1 ZINC000846130973 661238446 /nfs/dbraw/zinc/23/84/46/661238446.db2.gz IWOBEACKDQYZGA-UHFFFAOYSA-N -1 0 351.359 -0.085 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000846131051 661238452 /nfs/dbraw/zinc/23/84/52/661238452.db2.gz NPHDMYXCNZLIHE-UHFFFAOYSA-N -1 0 352.372 -0.147 20 0 FBADRM CCCNC(=O)c1ccc(NC(=O)C(=O)NCC(=O)[N-]OCC)cc1 ZINC000846131153 661238541 /nfs/dbraw/zinc/23/85/41/661238541.db2.gz PLHWEWCEPVFWAQ-UHFFFAOYSA-N -1 0 350.375 -0.051 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC000846131297 661238461 /nfs/dbraw/zinc/23/84/61/661238461.db2.gz QMOICGJIZXRPLT-UHFFFAOYSA-N -1 0 350.375 -0.053 20 0 FBADRM CCNC(=O)Nc1cccc(NC(=O)C(=O)NCC(=O)[N-]OCC)c1 ZINC000846131307 661238719 /nfs/dbraw/zinc/23/87/19/661238719.db2.gz NRBODBHXVNBCSY-UHFFFAOYSA-N -1 0 351.363 -0.050 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(C(=O)N(C)C)ccc1C ZINC000846131363 661238723 /nfs/dbraw/zinc/23/87/23/661238723.db2.gz QRFMYGWYJOTFSV-UHFFFAOYSA-N -1 0 350.375 -0.181 20 0 FBADRM CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NCC(=O)[N-]OCC)c1 ZINC000846131378 661238682 /nfs/dbraw/zinc/23/86/82/661238682.db2.gz QYXUVTKJONWKLV-UHFFFAOYSA-N -1 0 350.375 -0.133 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000846131385 661238670 /nfs/dbraw/zinc/23/86/70/661238670.db2.gz JTOSQLPOGMOZJX-UHFFFAOYSA-N -1 0 355.347 -0.165 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccccc1SCCC(N)=O ZINC000846131571 661238711 /nfs/dbraw/zinc/23/87/11/661238711.db2.gz PUDJYGGFWNZJCW-UHFFFAOYSA-N -1 0 368.415 -0.224 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000846131630 661238717 /nfs/dbraw/zinc/23/87/17/661238717.db2.gz SSTPGKNCLFJPJW-MRVPVSSYSA-N -1 0 350.331 -0.472 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000846131633 661238746 /nfs/dbraw/zinc/23/87/46/661238746.db2.gz SSTPGKNCLFJPJW-QMMMGPOBSA-N -1 0 350.331 -0.472 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(NS(=O)(=O)CC)cc1 ZINC000846131646 661238649 /nfs/dbraw/zinc/23/86/49/661238649.db2.gz QTVGMRAOGNSFAH-UHFFFAOYSA-N -1 0 372.403 -0.429 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(C(=O)NC)ccc1Cl ZINC000846131757 661238732 /nfs/dbraw/zinc/23/87/32/661238732.db2.gz VBUGWZBZYNNMPB-UHFFFAOYSA-N -1 0 356.766 -0.178 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(OCCOC)c(F)c1 ZINC000846131769 661238674 /nfs/dbraw/zinc/23/86/74/661238674.db2.gz VUPCIYLAULOPQH-UHFFFAOYSA-N -1 0 357.338 -0.027 20 0 FBADRM CCCNC(=O)c1cccc(NC(=O)C(=O)NCC(=O)[N-]OCC)c1 ZINC000846131792 661238738 /nfs/dbraw/zinc/23/87/38/661238738.db2.gz XBPLMXIKLFKBOU-UHFFFAOYSA-N -1 0 350.375 -0.051 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000846131811 661238676 /nfs/dbraw/zinc/23/86/76/661238676.db2.gz XVBMGDCXYURDQU-UHFFFAOYSA-N -1 0 350.331 -0.234 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000846131851 661238713 /nfs/dbraw/zinc/23/87/13/661238713.db2.gz YTLGLCCJCODVAX-UHFFFAOYSA-N -1 0 350.375 -0.354 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(CC)c(S(N)(=O)=O)c1 ZINC000846131918 661238662 /nfs/dbraw/zinc/23/86/62/661238662.db2.gz UKPFOIUOKIVQJO-UHFFFAOYSA-N -1 0 372.403 -0.981 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000846131948 661238725 /nfs/dbraw/zinc/23/87/25/661238725.db2.gz VPDCKHKZNOVOGT-CYBMUJFWSA-N -1 0 351.359 -0.023 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000846131950 661238656 /nfs/dbraw/zinc/23/86/56/661238656.db2.gz VPDCKHKZNOVOGT-ZDUSSCGKSA-N -1 0 351.359 -0.023 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccccc1S(=O)(=O)C(C)C ZINC000846132003 661238727 /nfs/dbraw/zinc/23/87/27/661238727.db2.gz WBJSLMJPVMCRLJ-UHFFFAOYSA-N -1 0 371.415 -0.009 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(F)ccc1OCCOC ZINC000846132228 661238740 /nfs/dbraw/zinc/23/87/40/661238740.db2.gz ZJAQJRTZWGAJME-UHFFFAOYSA-N -1 0 357.338 -0.027 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(CCC(=O)OC)cc1 ZINC000846132246 661238729 /nfs/dbraw/zinc/23/87/29/661238729.db2.gz ZYRHTFMQQHHAQI-UHFFFAOYSA-N -1 0 351.359 -0.085 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000846132268 661238653 /nfs/dbraw/zinc/23/86/53/661238653.db2.gz WUCAZTUTRLOLSD-UHFFFAOYSA-N -1 0 350.375 -0.354 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000846132460 661238700 /nfs/dbraw/zinc/23/87/00/661238700.db2.gz DPEDXZNMGWXYLJ-UHFFFAOYSA-N -1 0 370.749 -0.207 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC)c1 ZINC000846132481 661238721 /nfs/dbraw/zinc/23/87/21/661238721.db2.gz FPRRXSCFKIYCQI-UHFFFAOYSA-N -1 0 350.375 -0.099 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc2oc(=O)n(C)c2cc1F ZINC000846132560 661238680 /nfs/dbraw/zinc/23/86/80/661238680.db2.gz JIBMQBPETWMEBC-UHFFFAOYSA-N -1 0 354.294 -0.607 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(C(=O)OCC)cnc1C ZINC000846132574 661238703 /nfs/dbraw/zinc/23/87/03/661238703.db2.gz KGHYUKCSHDKNHR-UHFFFAOYSA-N -1 0 352.347 -0.311 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(CCOC(C)=O)c1 ZINC000846132746 661238646 /nfs/dbraw/zinc/23/86/46/661238646.db2.gz NBHVFMLNGXAPSV-UHFFFAOYSA-N -1 0 351.359 -0.085 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1C ZINC000846132773 661238668 /nfs/dbraw/zinc/23/86/68/661238668.db2.gz CHPAIUYLNKWPIH-UHFFFAOYSA-N -1 0 372.403 -0.974 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(CCC(=O)OC)c1 ZINC000846132797 661238665 /nfs/dbraw/zinc/23/86/65/661238665.db2.gz DCCFRRWWBGARBX-UHFFFAOYSA-N -1 0 351.359 -0.085 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(C(=O)OC)c1OC ZINC000846132906 661238660 /nfs/dbraw/zinc/23/86/60/661238660.db2.gz PRGCKGMZRLNUIT-UHFFFAOYSA-N -1 0 353.331 -0.396 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000846132910 661238748 /nfs/dbraw/zinc/23/87/48/661238748.db2.gz PWPDJHGSPXWJSA-UHFFFAOYSA-N -1 0 352.322 -0.766 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(C(=O)OC)c(OC)c1 ZINC000846133060 661238708 /nfs/dbraw/zinc/23/87/08/661238708.db2.gz UTAPQXBVHGCJRU-UHFFFAOYSA-N -1 0 353.331 -0.396 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(F)c(C(=O)OC)c(F)c1 ZINC000846133063 661238735 /nfs/dbraw/zinc/23/87/35/661238735.db2.gz UVRZHPOQBHRKKP-UHFFFAOYSA-N -1 0 359.285 -0.126 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(OC)cc1C(=O)OC ZINC000846133142 661238747 /nfs/dbraw/zinc/23/87/47/661238747.db2.gz LCCRKXDPRHKFPQ-UHFFFAOYSA-N -1 0 353.331 -0.396 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000846133176 661238692 /nfs/dbraw/zinc/23/86/92/661238692.db2.gz MTLKWYGAQOTAHH-LLVKDONJSA-N -1 0 351.359 -0.023 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000846133177 661238742 /nfs/dbraw/zinc/23/87/42/661238742.db2.gz MTLKWYGAQOTAHH-NSHDSACASA-N -1 0 351.359 -0.023 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1c(C)c(C(F)(F)F)nn1C ZINC000846133189 661238710 /nfs/dbraw/zinc/23/87/10/661238710.db2.gz WZDNJJNZHATAHK-UHFFFAOYSA-N -1 0 351.285 -0.130 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(CC(=O)OC)c(F)c1 ZINC000846133199 661238743 /nfs/dbraw/zinc/23/87/43/661238743.db2.gz XFUKFZNUXBZQSB-UHFFFAOYSA-N -1 0 355.322 -0.336 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(C(=O)OC)cc1OC ZINC000846133209 661238744 /nfs/dbraw/zinc/23/87/44/661238744.db2.gz NFGCIBRGCUHFAK-UHFFFAOYSA-N -1 0 353.331 -0.396 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(F)c(C(=O)OC)c1F ZINC000846133262 661238638 /nfs/dbraw/zinc/23/86/38/661238638.db2.gz ZFJHFUOQHCLFSY-UHFFFAOYSA-N -1 0 359.285 -0.126 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(Cl)cc(C(N)=O)c1OC ZINC000846133264 661238705 /nfs/dbraw/zinc/23/87/05/661238705.db2.gz ZHTDODOQXYQZLR-UHFFFAOYSA-N -1 0 372.765 -0.430 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(F)cc(C(=O)OC)c1F ZINC000846133277 661238887 /nfs/dbraw/zinc/23/88/87/661238887.db2.gz ZTLBXUDYVXWTLO-UHFFFAOYSA-N -1 0 359.285 -0.126 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000846133362 661238854 /nfs/dbraw/zinc/23/88/54/661238854.db2.gz RMWDNSGQBSAFML-UHFFFAOYSA-N -1 0 352.322 -0.167 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)OC ZINC000846133544 661238894 /nfs/dbraw/zinc/23/88/94/661238894.db2.gz UVMAYCJCYZKKRH-UHFFFAOYSA-N -1 0 359.285 -0.126 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(OC)c(OC)cc1OC ZINC000846133785 661238882 /nfs/dbraw/zinc/23/88/82/661238882.db2.gz XIKPDAYGGKIXTF-UHFFFAOYSA-N -1 0 355.347 -0.165 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(OC)ccc1C(=O)OC ZINC000846133797 661238853 /nfs/dbraw/zinc/23/88/53/661238853.db2.gz XXSFOZKQDSRYQB-UHFFFAOYSA-N -1 0 353.331 -0.396 20 0 FBADRM C[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000846161840 661239247 /nfs/dbraw/zinc/23/92/47/661239247.db2.gz IBNPRSOBNNECKV-QEYWKRMJSA-N -1 0 371.381 -0.018 20 0 FBADRM C[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000846161841 661239368 /nfs/dbraw/zinc/23/93/68/661239368.db2.gz IBNPRSOBNNECKV-XKNYDFJKSA-N -1 0 371.381 -0.018 20 0 FBADRM Cn1nccc1[C@@H]1COCCN1C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000846325818 661240276 /nfs/dbraw/zinc/24/02/76/661240276.db2.gz FQNUCSZMTNEALU-BLLLJJGKSA-N -1 0 350.375 -0.357 20 0 FBADRM Cn1nccc1[C@@H]1COCCN1C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000846325819 661240206 /nfs/dbraw/zinc/24/02/06/661240206.db2.gz FQNUCSZMTNEALU-LRDDRELGSA-N -1 0 350.375 -0.357 20 0 FBADRM Cn1nccc1[C@H]1COCCN1C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000846325820 661240289 /nfs/dbraw/zinc/24/02/89/661240289.db2.gz FQNUCSZMTNEALU-MLGOLLRUSA-N -1 0 350.375 -0.357 20 0 FBADRM Cn1nccc1[C@H]1COCCN1C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000846325821 661240210 /nfs/dbraw/zinc/24/02/10/661240210.db2.gz FQNUCSZMTNEALU-WBMJQRKESA-N -1 0 350.375 -0.357 20 0 FBADRM C[C@@](CNC(=O)C(=O)NCCS(C)(=O)=O)(C(=O)[O-])c1ccccc1 ZINC000846326635 661240251 /nfs/dbraw/zinc/24/02/51/661240251.db2.gz FDCDNZVNQMPSBD-HNNXBMFYSA-N -1 0 356.400 -0.694 20 0 FBADRM C[C@](CNC(=O)C(=O)NCCS(C)(=O)=O)(C(=O)[O-])c1ccccc1 ZINC000846326636 661240270 /nfs/dbraw/zinc/24/02/70/661240270.db2.gz FDCDNZVNQMPSBD-OAHLLOKOSA-N -1 0 356.400 -0.694 20 0 FBADRM CC1(C)CCN1C(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000846327462 661240200 /nfs/dbraw/zinc/24/02/00/661240200.db2.gz PMJQUWPCWHPPLV-LLVKDONJSA-N -1 0 351.403 -0.079 20 0 FBADRM CC1(C)CCN1C(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000846327463 661240293 /nfs/dbraw/zinc/24/02/93/661240293.db2.gz PMJQUWPCWHPPLV-NSHDSACASA-N -1 0 351.403 -0.079 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C[C@H]1C1CC1 ZINC000846327927 661240291 /nfs/dbraw/zinc/24/02/91/661240291.db2.gz TXUZCDVTHLEVOY-JKDFXYPNSA-N -1 0 352.387 -0.033 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C[C@H]1C1CC1 ZINC000846327932 661240228 /nfs/dbraw/zinc/24/02/28/661240228.db2.gz TXUZCDVTHLEVOY-XWCIJXRUSA-N -1 0 352.387 -0.033 20 0 FBADRM C[C@](CNC(=O)C(=O)NC[C@@H]1COCCO1)(C(=O)[O-])c1ccccc1 ZINC000846330059 661240483 /nfs/dbraw/zinc/24/04/83/661240483.db2.gz NIYXYZSLVGLCPP-CXAGYDPISA-N -1 0 350.371 -0.323 20 0 FBADRM C[C@@](CNC(=O)C(=O)NC[C@@H]1COCCO1)(C(=O)[O-])c1ccccc1 ZINC000846330062 661240443 /nfs/dbraw/zinc/24/04/43/661240443.db2.gz NIYXYZSLVGLCPP-DYVFJYSZSA-N -1 0 350.371 -0.323 20 0 FBADRM C[C@@](CNC(=O)C(=O)NC[C@H]1COCCO1)(C(=O)[O-])c1ccccc1 ZINC000846330065 661240431 /nfs/dbraw/zinc/24/04/31/661240431.db2.gz NIYXYZSLVGLCPP-GUYCJALGSA-N -1 0 350.371 -0.323 20 0 FBADRM C[C@](CNC(=O)C(=O)NC[C@H]1COCCO1)(C(=O)[O-])c1ccccc1 ZINC000846330067 661240406 /nfs/dbraw/zinc/24/04/06/661240406.db2.gz NIYXYZSLVGLCPP-SUMWQHHRSA-N -1 0 350.371 -0.323 20 0 FBADRM C[C@](CNC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1)(C(=O)[O-])c1ccccc1 ZINC000846333489 661240450 /nfs/dbraw/zinc/24/04/50/661240450.db2.gz VOGUHRRTSFADND-BLLLJJGKSA-N -1 0 368.411 -0.552 20 0 FBADRM C[C@@](CNC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1)(C(=O)[O-])c1ccccc1 ZINC000846333491 661240385 /nfs/dbraw/zinc/24/03/85/661240385.db2.gz VOGUHRRTSFADND-LRDDRELGSA-N -1 0 368.411 -0.552 20 0 FBADRM C[C@](CNC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1)(C(=O)[O-])c1ccccc1 ZINC000846333494 661240471 /nfs/dbraw/zinc/24/04/71/661240471.db2.gz VOGUHRRTSFADND-MLGOLLRUSA-N -1 0 368.411 -0.552 20 0 FBADRM C[C@@](CNC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1)(C(=O)[O-])c1ccccc1 ZINC000846333495 661240405 /nfs/dbraw/zinc/24/04/05/661240405.db2.gz VOGUHRRTSFADND-WBMJQRKESA-N -1 0 368.411 -0.552 20 0 FBADRM CCS(=O)(=O)CCNC(=O)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000846334580 661240421 /nfs/dbraw/zinc/24/04/21/661240421.db2.gz ZNSFWIHPNFQGCG-INIZCTEOSA-N -1 0 370.427 -0.304 20 0 FBADRM CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000846334582 661240408 /nfs/dbraw/zinc/24/04/08/661240408.db2.gz ZNSFWIHPNFQGCG-MRXNPFEDSA-N -1 0 370.427 -0.304 20 0 FBADRM O=C(c1cc(=O)[nH][n-]1)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC000846392386 661240594 /nfs/dbraw/zinc/24/05/94/661240594.db2.gz GWJONAGBXXTZSB-UHFFFAOYSA-N -1 0 365.415 -0.959 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000846397815 661240619 /nfs/dbraw/zinc/24/06/19/661240619.db2.gz LGGQTVUUQZXHKP-NSHDSACASA-N -1 0 362.308 -0.025 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000846404138 661240585 /nfs/dbraw/zinc/24/05/85/661240585.db2.gz JCHUPWZMGJLIRA-BDAKNGLRSA-N -1 0 359.370 -0.160 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000846404141 661240648 /nfs/dbraw/zinc/24/06/48/661240648.db2.gz JCHUPWZMGJLIRA-IUCAKERBSA-N -1 0 359.370 -0.160 20 0 FBADRM CCO[N-]C(=O)CNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000846489295 661241484 /nfs/dbraw/zinc/24/14/84/661241484.db2.gz APGMKQCOUNGXHD-UHFFFAOYSA-N -1 0 355.376 -0.975 20 0 FBADRM CCO[N-]C(=O)CNC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O ZINC000846489818 661241486 /nfs/dbraw/zinc/24/14/86/661241486.db2.gz DONCCYDGMJYJCP-CYBMUJFWSA-N -1 0 365.308 -0.198 20 0 FBADRM CCO[N-]C(=O)CNC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O ZINC000846489819 661241566 /nfs/dbraw/zinc/24/15/66/661241566.db2.gz DONCCYDGMJYJCP-ZDUSSCGKSA-N -1 0 365.308 -0.198 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1cnn(C)c1I ZINC000846490210 661241436 /nfs/dbraw/zinc/24/14/36/661241436.db2.gz GEIODRPDAHKPDQ-UHFFFAOYSA-N -1 0 352.132 -0.178 20 0 FBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1 ZINC000846490633 661241457 /nfs/dbraw/zinc/24/14/57/661241457.db2.gz IIJODECZSJHIOD-LLVKDONJSA-N -1 0 353.379 -0.934 20 0 FBADRM CCO[N-]C(=O)CNC(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1 ZINC000846490636 661241567 /nfs/dbraw/zinc/24/15/67/661241567.db2.gz IIJODECZSJHIOD-NSHDSACASA-N -1 0 353.379 -0.934 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000846492162 661241523 /nfs/dbraw/zinc/24/15/23/661241523.db2.gz WSTZFDNMLBKBIO-UHFFFAOYSA-N -1 0 359.404 -0.903 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1c(I)cnn1C ZINC000846492301 661241562 /nfs/dbraw/zinc/24/15/62/661241562.db2.gz ZNOCMGQXZLOEGJ-UHFFFAOYSA-N -1 0 352.132 -0.178 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O ZINC000846492400 661241551 /nfs/dbraw/zinc/24/15/51/661241551.db2.gz ZJSPWUNLFCXHNX-UHFFFAOYSA-N -1 0 350.306 -0.329 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1ccccc1S(=O)(=O)CCN(C)C ZINC000846492674 661241568 /nfs/dbraw/zinc/24/15/68/661241568.db2.gz CKBBYMODHKYHHN-UHFFFAOYSA-N -1 0 357.432 -0.181 20 0 FBADRM CCO[N-]C(=O)CNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O ZINC000846492808 661241527 /nfs/dbraw/zinc/24/15/27/661241527.db2.gz CUYNZKGKKAZMDB-BXUZGUMPSA-N -1 0 373.431 -0.793 20 0 FBADRM CCO[N-]C(=O)CNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O ZINC000846492809 661241419 /nfs/dbraw/zinc/24/14/19/661241419.db2.gz CUYNZKGKKAZMDB-FZMZJTMJSA-N -1 0 373.431 -0.793 20 0 FBADRM CCO[N-]C(=O)CNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O ZINC000846492810 661241409 /nfs/dbraw/zinc/24/14/09/661241409.db2.gz CUYNZKGKKAZMDB-RISCZKNCSA-N -1 0 373.431 -0.793 20 0 FBADRM CCO[N-]C(=O)CNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O ZINC000846492811 661241531 /nfs/dbraw/zinc/24/15/31/661241531.db2.gz CUYNZKGKKAZMDB-SMDDNHRTSA-N -1 0 373.431 -0.793 20 0 FBADRM CCO[N-]C(=O)CNC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000846493733 661241426 /nfs/dbraw/zinc/24/14/26/661241426.db2.gz KMTBZSOKUKKSGF-UHFFFAOYSA-N -1 0 350.335 -0.434 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000846493825 661241433 /nfs/dbraw/zinc/24/14/33/661241433.db2.gz LJEXMTBTYCCQSQ-UHFFFAOYSA-N -1 0 353.759 -0.076 20 0 FBADRM CCO[N-]C(=O)CNC(=O)CS(=O)(=O)c1ccc(C(C)=O)c(F)c1 ZINC000846494001 661241560 /nfs/dbraw/zinc/24/15/60/661241560.db2.gz DDDOLAYQKNQVIP-UHFFFAOYSA-N -1 0 360.363 -0.014 20 0 FBADRM CCO[N-]C(=O)CNC(=O)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O ZINC000846494621 661241678 /nfs/dbraw/zinc/24/16/78/661241678.db2.gz VSBQJMOMXIYLPS-CULMDFNYSA-N -1 0 354.407 -0.083 20 0 FBADRM CCO[N-]C(=O)CNC(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O ZINC000846494623 661241743 /nfs/dbraw/zinc/24/17/43/661241743.db2.gz VSBQJMOMXIYLPS-GHMZBOCLSA-N -1 0 354.407 -0.083 20 0 FBADRM CCO[N-]C(=O)CNC(=O)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O ZINC000846494625 661241688 /nfs/dbraw/zinc/24/16/88/661241688.db2.gz VSBQJMOMXIYLPS-QWRGUYRKSA-N -1 0 354.407 -0.083 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 ZINC000846495126 661241735 /nfs/dbraw/zinc/24/17/35/661241735.db2.gz MEMIPYFJOHYJHV-UHFFFAOYSA-N -1 0 371.415 -0.654 20 0 FBADRM CCO[N-]C(=O)CNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000846495396 661241674 /nfs/dbraw/zinc/24/16/74/661241674.db2.gz QWDSZVUTKFFWKX-UHFFFAOYSA-N -1 0 358.395 -0.750 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1nc(C)n(-c2nc(C(F)(F)F)n[nH]2)n1 ZINC000846495447 661241726 /nfs/dbraw/zinc/24/17/26/661241726.db2.gz BGFFMWYORGNOQD-UHFFFAOYSA-N -1 0 362.272 -0.490 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C ZINC000846495501 661241746 /nfs/dbraw/zinc/24/17/46/661241746.db2.gz DCQWCMHPJYZCJC-UHFFFAOYSA-N -1 0 372.447 -0.003 20 0 FBADRM CCO[N-]C(=O)CNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000846495962 661241692 /nfs/dbraw/zinc/24/16/92/661241692.db2.gz GOGHKXXPQXIVPO-UHFFFAOYSA-N -1 0 357.388 -0.821 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000846496376 661241698 /nfs/dbraw/zinc/24/16/98/661241698.db2.gz ISPXCMUCFIFTPN-UHFFFAOYSA-N -1 0 371.415 -0.495 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000846496396 661241644 /nfs/dbraw/zinc/24/16/44/661241644.db2.gz JFVYUZYFBZPGPY-UHFFFAOYSA-N -1 0 361.376 -0.902 20 0 FBADRM CCO[N-]C(=O)CNC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000846496470 661241685 /nfs/dbraw/zinc/24/16/85/661241685.db2.gz AHHBYOXCCVJUPC-UHFFFAOYSA-N -1 0 372.403 -0.893 20 0 FBADRM CCO[N-]C(=O)CNC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1 ZINC000846496554 661241712 /nfs/dbraw/zinc/24/17/12/661241712.db2.gz DRSVKLNVJAKFMA-UHFFFAOYSA-N -1 0 357.388 -0.649 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1ccc2c(c1)S(=O)(=O)N(CC)C2=O ZINC000846496677 661241658 /nfs/dbraw/zinc/24/16/58/661241658.db2.gz FBPRWRYXWQRHCD-UHFFFAOYSA-N -1 0 355.372 -0.352 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000846496710 661241696 /nfs/dbraw/zinc/24/16/96/661241696.db2.gz GIMMIJFCLSJOHG-UHFFFAOYSA-N -1 0 367.383 -0.209 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 ZINC000846496927 661241686 /nfs/dbraw/zinc/24/16/86/661241686.db2.gz HLTDQBREPONQJZ-UHFFFAOYSA-N -1 0 359.404 -0.257 20 0 FBADRM CCO[N-]C(=O)CNC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000846496958 661241738 /nfs/dbraw/zinc/24/17/38/661241738.db2.gz JFHGEWICHKUEJJ-UHFFFAOYSA-N -1 0 371.415 -0.259 20 0 FBADRM CCO[N-]C(=O)CNC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000846496967 661241704 /nfs/dbraw/zinc/24/17/04/661241704.db2.gz JOICDPOXWYGFAQ-UHFFFAOYSA-N -1 0 357.388 -0.649 20 0 FBADRM CCO[N-]C(=O)CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000846497306 661241690 /nfs/dbraw/zinc/24/16/90/661241690.db2.gz LCUNYJXLHKKQMB-UHFFFAOYSA-N -1 0 365.358 -0.183 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000846497578 661241706 /nfs/dbraw/zinc/24/17/06/661241706.db2.gz VAUHFWHTZGOHBU-GFCCVEGCSA-N -1 0 351.338 -0.570 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000846497582 661241737 /nfs/dbraw/zinc/24/17/37/661241737.db2.gz VAUHFWHTZGOHBU-LBPRGKRZSA-N -1 0 351.338 -0.570 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1cccc(S(=O)(=O)NCCOC)c1 ZINC000846497601 661241716 /nfs/dbraw/zinc/24/17/16/661241716.db2.gz VJZORHGYXQWSCE-UHFFFAOYSA-N -1 0 359.404 -0.591 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1 ZINC000846497863 661241864 /nfs/dbraw/zinc/24/18/64/661241864.db2.gz QAYOHCZAOVBQOK-UHFFFAOYSA-N -1 0 371.415 -0.067 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1C ZINC000846497910 661241898 /nfs/dbraw/zinc/24/18/98/661241898.db2.gz QVOLRZCOBBMITG-UHFFFAOYSA-N -1 0 373.431 -0.283 20 0 FBADRM CCO[N-]C(=O)CNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000846497912 661241910 /nfs/dbraw/zinc/24/19/10/661241910.db2.gz QWKQOGZHQZKIIU-UHFFFAOYSA-N -1 0 372.399 -0.195 20 0 FBADRM CCO[N-]C(=O)CNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000846497945 661241858 /nfs/dbraw/zinc/24/18/58/661241858.db2.gz RKQCHEQLWDWAKT-UHFFFAOYSA-N -1 0 354.388 -0.749 20 0 FBADRM CCO[N-]C(=O)CNC(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1 ZINC000846498211 661241890 /nfs/dbraw/zinc/24/18/90/661241890.db2.gz RQZJMWAKKXOHTN-UHFFFAOYSA-N -1 0 371.415 -0.259 20 0 FBADRM CCO[N-]C(=O)CNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000846498235 661241906 /nfs/dbraw/zinc/24/19/06/661241906.db2.gz NBUHXNYRPBBKGJ-UHFFFAOYSA-N -1 0 355.825 -0.136 20 0 FBADRM CCO[N-]C(=O)CNC(=O)CCNS(=O)(=O)c1ccc(OCC)cc1 ZINC000846498258 661241950 /nfs/dbraw/zinc/24/19/50/661241950.db2.gz SISSYKSNMXNFPD-UHFFFAOYSA-N -1 0 373.431 -0.062 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000846498523 661241955 /nfs/dbraw/zinc/24/19/55/661241955.db2.gz ARVQQJFFAAYIOH-UHFFFAOYSA-N -1 0 371.415 -0.495 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1cc(S(=O)(=O)N(CC)CC)cn1C ZINC000846498676 661241973 /nfs/dbraw/zinc/24/19/73/661241973.db2.gz LYOPKUHMYGVLKV-UHFFFAOYSA-N -1 0 360.436 -0.147 20 0 FBADRM CCO[N-]C(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1 ZINC000846498735 661241870 /nfs/dbraw/zinc/24/18/70/661241870.db2.gz WQOWEDGTOYUXAO-JTQLQIEISA-N -1 0 359.404 -0.454 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000846498903 661241952 /nfs/dbraw/zinc/24/19/52/661241952.db2.gz URJKWPGOCGAILO-UHFFFAOYSA-N -1 0 369.443 -0.286 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1ccc(S(=O)(=O)NCCOC)cc1 ZINC000846499299 661241922 /nfs/dbraw/zinc/24/19/22/661241922.db2.gz ODXHSEUSLWFPSN-UHFFFAOYSA-N -1 0 359.404 -0.591 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000846499482 661241937 /nfs/dbraw/zinc/24/19/37/661241937.db2.gz SBAMIFSHBMGWAY-UHFFFAOYSA-N -1 0 371.415 -0.495 20 0 FBADRM CCON(C)C(=O)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000846500875 661241941 /nfs/dbraw/zinc/24/19/41/661241941.db2.gz GKDUGMJURPOGRD-UHFFFAOYSA-N -1 0 365.358 -0.231 20 0 FBADRM CCON(C)C(=O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000846506547 661242079 /nfs/dbraw/zinc/24/20/79/661242079.db2.gz LBHOQUSVSFIYOG-UHFFFAOYSA-N -1 0 359.404 -0.218 20 0 FBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CC(N2CC[C@@H](O)C2)C1 ZINC000846513039 661242406 /nfs/dbraw/zinc/24/24/06/661242406.db2.gz JPLAGIWEYUCGCS-GFCCVEGCSA-N -1 0 360.439 -0.037 20 0 FBADRM CN1N=C(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)CCC1=O ZINC000846710211 661243375 /nfs/dbraw/zinc/24/33/75/661243375.db2.gz BXMMUVOXUHRPJG-JTQLQIEISA-N -1 0 350.375 -0.481 20 0 FBADRM CN1N=C(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)CCC1=O ZINC000846710213 661243326 /nfs/dbraw/zinc/24/33/26/661243326.db2.gz BXMMUVOXUHRPJG-SNVBAGLBSA-N -1 0 350.375 -0.481 20 0 FBADRM CC(=O)N1CSC[C@H]1C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000846711130 661243538 /nfs/dbraw/zinc/24/35/38/661243538.db2.gz IBTMBEWNUFFZBD-AAEUAGOBSA-N -1 0 369.443 -0.168 20 0 FBADRM CC(=O)N1CSC[C@@H]1C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000846711131 661243636 /nfs/dbraw/zinc/24/36/36/661243636.db2.gz IBTMBEWNUFFZBD-DGCLKSJQSA-N -1 0 369.443 -0.168 20 0 FBADRM CC(=O)N1CSC[C@@H]1C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000846711132 661243600 /nfs/dbraw/zinc/24/36/00/661243600.db2.gz IBTMBEWNUFFZBD-WCQYABFASA-N -1 0 369.443 -0.168 20 0 FBADRM CC(=O)N1CSC[C@H]1C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000846711133 661243494 /nfs/dbraw/zinc/24/34/94/661243494.db2.gz IBTMBEWNUFFZBD-YPMHNXCESA-N -1 0 369.443 -0.168 20 0 FBADRM NC(=O)[C@@]1(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)CCOC1 ZINC000846767637 661244526 /nfs/dbraw/zinc/24/45/26/661244526.db2.gz LKILDSYXKKHPIP-GFCCVEGCSA-N -1 0 350.299 -0.414 20 0 FBADRM NC(=O)[C@]1(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)CCOC1 ZINC000846767639 661244532 /nfs/dbraw/zinc/24/45/32/661244532.db2.gz LKILDSYXKKHPIP-LBPRGKRZSA-N -1 0 350.299 -0.414 20 0 FBADRM Cn1cnnc1N1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000846767932 661244519 /nfs/dbraw/zinc/24/45/19/661244519.db2.gz RPDRTODXRHABCN-UHFFFAOYSA-N -1 0 354.392 -0.637 20 0 FBADRM NC(=O)[C@@]1(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCOC1 ZINC000846769972 661244534 /nfs/dbraw/zinc/24/45/34/661244534.db2.gz GPPUPYJMPNFRJF-GFCCVEGCSA-N -1 0 350.299 -0.414 20 0 FBADRM NC(=O)[C@]1(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCOC1 ZINC000846769973 661244507 /nfs/dbraw/zinc/24/45/07/661244507.db2.gz GPPUPYJMPNFRJF-LBPRGKRZSA-N -1 0 350.299 -0.414 20 0 FBADRM CC(C)(C)OC(=O)N1CC(O)(CNC(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC000847080040 661247028 /nfs/dbraw/zinc/24/70/28/661247028.db2.gz VQJOYBYZSRGICW-UHFFFAOYSA-N -1 0 359.408 -0.300 20 0 FBADRM O=C(CCN1C(=O)CCNC1=S)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000847092119 661247382 /nfs/dbraw/zinc/24/73/82/661247382.db2.gz QTRRQCPUGHYIJG-SECBINFHSA-N -1 0 353.404 -0.022 20 0 FBADRM O=C(CCN1C(=O)CCNC1=S)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000847092121 661247368 /nfs/dbraw/zinc/24/73/68/661247368.db2.gz QTRRQCPUGHYIJG-VIFPVBQESA-N -1 0 353.404 -0.022 20 0 FBADRM O=C(NCC1CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1)C(F)(F)F ZINC000847096644 661247305 /nfs/dbraw/zinc/24/73/05/661247305.db2.gz DWRYRFYARRNHNJ-IJLUTSLNSA-N -1 0 366.336 -0.684 20 0 FBADRM CN(C)S(=O)(=O)NCC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000847097096 661247428 /nfs/dbraw/zinc/24/74/28/661247428.db2.gz FRVXORJDWNJMEV-UHFFFAOYSA-N -1 0 374.385 -0.701 20 0 FBADRM O=C(NCC1CCN(C(=O)c2nc3n(n2)CCCN3)CC1)C(F)(F)F ZINC000847097969 661247324 /nfs/dbraw/zinc/24/73/24/661247324.db2.gz JPUQYTGRHDBCFB-UHFFFAOYSA-N -1 0 360.340 -0.118 20 0 FBADRM O=C(NCC1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1)C(F)(F)F ZINC000847098198 661247293 /nfs/dbraw/zinc/24/72/93/661247293.db2.gz LCHZULXNTUOSOG-QMMMGPOBSA-N -1 0 350.297 -0.498 20 0 FBADRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCCNS(C)(=O)=O ZINC000847280994 661247842 /nfs/dbraw/zinc/24/78/42/661247842.db2.gz PADOOLFDWUPRCO-RKDXNWHRSA-N -1 0 374.385 -0.223 20 0 FBADRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCCc1nnnn1C ZINC000847346371 661248565 /nfs/dbraw/zinc/24/85/65/661248565.db2.gz VUTDGUVJVCYANL-RKDXNWHRSA-N -1 0 363.344 -0.006 20 0 FBADRM CNS(=O)(=O)CCNC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000847356400 661248548 /nfs/dbraw/zinc/24/85/48/661248548.db2.gz DAMCPEYWWUWLEG-RKDXNWHRSA-N -1 0 374.385 -0.223 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCCN(C=O)CC2)c1 ZINC000847370313 661248874 /nfs/dbraw/zinc/24/88/74/661248874.db2.gz WQICTIXTCNAFRA-UHFFFAOYSA-N -1 0 355.416 -0.053 20 0 FBADRM O=CN1CCCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000847372046 661248853 /nfs/dbraw/zinc/24/88/53/661248853.db2.gz AAQDVHUPGRFXCC-UHFFFAOYSA-N -1 0 361.370 -0.066 20 0 FBADRM CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)C1 ZINC000847473240 661250299 /nfs/dbraw/zinc/25/02/99/661250299.db2.gz QBWGYWZVFIXKEV-SECBINFHSA-N -1 0 354.367 -0.919 20 0 FBADRM CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)C1 ZINC000847473241 661250365 /nfs/dbraw/zinc/25/03/65/661250365.db2.gz QBWGYWZVFIXKEV-VIFPVBQESA-N -1 0 354.367 -0.919 20 0 FBADRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(=O)Nc1cnnn1C ZINC000847599569 661251880 /nfs/dbraw/zinc/25/18/80/661251880.db2.gz ISKQVWDJWFORIL-HTQZYQBOSA-N -1 0 362.312 -0.188 20 0 FBADRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(=O)Nc1cn(C)nn1 ZINC000847599931 661251848 /nfs/dbraw/zinc/25/18/48/661251848.db2.gz WRWYSNHZSJUGHO-HTQZYQBOSA-N -1 0 362.312 -0.188 20 0 FBADRM CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)C1 ZINC000847604937 661252123 /nfs/dbraw/zinc/25/21/23/661252123.db2.gz RZFNXGISMGQFEU-JTQLQIEISA-N -1 0 352.395 -0.113 20 0 FBADRM CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)C1 ZINC000847604938 661252085 /nfs/dbraw/zinc/25/20/85/661252085.db2.gz RZFNXGISMGQFEU-SNVBAGLBSA-N -1 0 352.395 -0.113 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)Cn2nc(C)n(C)c2=O)cc1 ZINC000847617874 661252094 /nfs/dbraw/zinc/25/20/94/661252094.db2.gz AIESQEQWYAPTSK-UHFFFAOYSA-N -1 0 367.387 -0.646 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)Cn2nc(C)n(C)c2=O)cc1 ZINC000847618166 661252057 /nfs/dbraw/zinc/25/20/57/661252057.db2.gz GOMJINZTPHMNDS-UHFFFAOYSA-N -1 0 352.372 -0.402 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)[N-]S(=O)(=O)c2cccnc2)CC1 ZINC000847618598 661252103 /nfs/dbraw/zinc/25/21/03/661252103.db2.gz ORSBLUWSSVCSLI-UHFFFAOYSA-N -1 0 361.445 -0.052 20 0 FBADRM COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)Cn1nc(C)n(C)c1=O ZINC000847618668 661252150 /nfs/dbraw/zinc/25/21/50/661252150.db2.gz PTIMRJNRQWCQCS-UHFFFAOYSA-N -1 0 374.400 -0.757 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)Cn2nc(C)n(C)c2=O)c1 ZINC000847618855 661252137 /nfs/dbraw/zinc/25/21/37/661252137.db2.gz SAFJJPRPOPZYLA-UHFFFAOYSA-N -1 0 352.372 -0.402 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)Cn2nc(C)n(C)c2=O)cc1OC ZINC000847618895 661252049 /nfs/dbraw/zinc/25/20/49/661252049.db2.gz TZZWJFYIJQHAKR-UHFFFAOYSA-N -1 0 370.387 -0.587 20 0 FBADRM COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)Cn2nc(C)n(C)c2=O)c1 ZINC000847618900 661252121 /nfs/dbraw/zinc/25/21/21/661252121.db2.gz UMGRIVNHQYZZLI-UHFFFAOYSA-N -1 0 370.387 -0.587 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c(=O)n1C ZINC000847619228 661252132 /nfs/dbraw/zinc/25/21/32/661252132.db2.gz VTJNTWLJYITUMV-UHFFFAOYSA-N -1 0 368.371 -0.833 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)Cn2nc(C)n(C)c2=O)cc1 ZINC000847619292 661252066 /nfs/dbraw/zinc/25/20/66/661252066.db2.gz YFGTZHLBEFCYCI-UHFFFAOYSA-N -1 0 354.388 -0.206 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)c(=O)n1C ZINC000847619612 661252134 /nfs/dbraw/zinc/25/21/34/661252134.db2.gz INHLAXPCFLVPJT-UHFFFAOYSA-N -1 0 350.400 -0.116 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)Cc2noc3ccccc32)c(=O)n1C ZINC000847620693 661252097 /nfs/dbraw/zinc/25/20/97/661252097.db2.gz MJPRKYCZLSRHRY-UHFFFAOYSA-N -1 0 365.371 -0.322 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)N(C)Cc2ccccc2)c(=O)n1C ZINC000847621658 661252033 /nfs/dbraw/zinc/25/20/33/661252033.db2.gz ZDINFTNOIFEKBD-UHFFFAOYSA-N -1 0 353.404 -0.617 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)Cn2nc(C)n(C)c2=O)s1 ZINC000847628282 661252312 /nfs/dbraw/zinc/25/23/12/661252312.db2.gz FOXUQTHEBJDKNU-UHFFFAOYSA-N -1 0 374.400 -0.757 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cnc(N(C)C)cn2)CC1 ZINC000847632003 661252283 /nfs/dbraw/zinc/25/22/83/661252283.db2.gz LYQCLZDGTXHPDQ-UHFFFAOYSA-N -1 0 371.419 -0.598 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)[N-]S(=O)(=O)N2CCCCC2)CC1 ZINC000847632025 661252232 /nfs/dbraw/zinc/25/22/32/661252232.db2.gz MOFWPWDHOHAYQX-UHFFFAOYSA-N -1 0 367.493 -0.105 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)[N-]S(=O)(=O)N2CCCC2)CC1 ZINC000847632267 661252294 /nfs/dbraw/zinc/25/22/94/661252294.db2.gz QKYUEWCLETWTGY-UHFFFAOYSA-N -1 0 353.466 -0.495 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)c(=O)n1C ZINC000847635839 661252372 /nfs/dbraw/zinc/25/23/72/661252372.db2.gz NXPBGUMHRFNXIO-UHFFFAOYSA-N -1 0 359.795 -0.415 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)Cn2nc(C)n(C)c2=O)c1 ZINC000847636381 661252364 /nfs/dbraw/zinc/25/23/64/661252364.db2.gz WAVBADURDCLTDT-UHFFFAOYSA-N -1 0 368.371 -0.818 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)N2CCc3ccccc32)c(=O)n1C ZINC000847636737 661252335 /nfs/dbraw/zinc/25/23/35/661252335.db2.gz CRKYAQLLKGMHOH-UHFFFAOYSA-N -1 0 351.388 -0.686 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)N2CCc3ccccc3C2)c(=O)n1C ZINC000847636746 661252376 /nfs/dbraw/zinc/25/23/76/661252376.db2.gz CWGJFQYVAXMTDK-UHFFFAOYSA-N -1 0 365.415 -0.690 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)N2CCc3sccc3C2)c(=O)n1C ZINC000847637090 661252307 /nfs/dbraw/zinc/25/23/07/661252307.db2.gz JTTAKBHNAKEXBM-UHFFFAOYSA-N -1 0 371.444 -0.629 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1ccc(-n2cnnn2)cn1 ZINC000847637203 661252260 /nfs/dbraw/zinc/25/22/60/661252260.db2.gz LWHOSYHAQHVSLJ-LLVKDONJSA-N -1 0 352.376 -0.314 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1ccc(-n2cnnn2)cn1 ZINC000847637204 661252254 /nfs/dbraw/zinc/25/22/54/661252254.db2.gz LWHOSYHAQHVSLJ-NSHDSACASA-N -1 0 352.376 -0.314 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)N2CCCc3ccccc32)c(=O)n1C ZINC000847637964 661252303 /nfs/dbraw/zinc/25/23/03/661252303.db2.gz UVIMGIBJEXGHHP-UHFFFAOYSA-N -1 0 365.415 -0.296 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000847640341 661252340 /nfs/dbraw/zinc/25/23/40/661252340.db2.gz GZFHITWNPCXHKQ-UHFFFAOYSA-N -1 0 355.482 -0.251 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cnc(N(C)C)cn1 ZINC000847642075 661252342 /nfs/dbraw/zinc/25/23/42/661252342.db2.gz LYINGNSRCIXONI-LLVKDONJSA-N -1 0 371.419 -0.455 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cnc(N(C)C)cn1 ZINC000847642076 661252355 /nfs/dbraw/zinc/25/23/55/661252355.db2.gz LYINGNSRCIXONI-NSHDSACASA-N -1 0 371.419 -0.455 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000847645115 661252345 /nfs/dbraw/zinc/25/23/45/661252345.db2.gz VHFQWAHBZMUYGP-UHFFFAOYSA-N -1 0 356.466 -0.469 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cn1 ZINC000847646352 661252480 /nfs/dbraw/zinc/25/24/80/661252480.db2.gz GPOOPGCUEKWOKK-UHFFFAOYSA-N -1 0 354.348 -0.930 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000847646995 661252591 /nfs/dbraw/zinc/25/25/91/661252591.db2.gz KVDAICHHZZKWFZ-INIZCTEOSA-N -1 0 368.411 -0.157 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000847646996 661252572 /nfs/dbraw/zinc/25/25/72/661252572.db2.gz KVDAICHHZZKWFZ-MRXNPFEDSA-N -1 0 368.411 -0.157 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000847648552 661252489 /nfs/dbraw/zinc/25/24/89/661252489.db2.gz VDKJEYHVXTYIAB-JTQLQIEISA-N -1 0 356.466 -0.471 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000847648554 661252554 /nfs/dbraw/zinc/25/25/54/661252554.db2.gz VDKJEYHVXTYIAB-SNVBAGLBSA-N -1 0 356.466 -0.471 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)[N-]S(=O)(=O)c2ccccn2)CC1 ZINC000847648710 661252511 /nfs/dbraw/zinc/25/25/11/661252511.db2.gz HMHYEZFRGMHSGV-UHFFFAOYSA-N -1 0 361.445 -0.052 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000847651135 661252490 /nfs/dbraw/zinc/25/24/90/661252490.db2.gz HOSIDMNBGCOBBT-HNNXBMFYSA-N -1 0 353.400 -0.863 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000847651136 661252523 /nfs/dbraw/zinc/25/25/23/661252523.db2.gz HOSIDMNBGCOBBT-OAHLLOKOSA-N -1 0 353.400 -0.863 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)N(C)C(=O)OC(C)(C)C ZINC000847652584 661252561 /nfs/dbraw/zinc/25/25/61/661252561.db2.gz WEWSVVKBAWPPLP-JTQLQIEISA-N -1 0 351.425 -0.065 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)CCOc2ccccc2)c(=O)n1C ZINC000847654704 661252530 /nfs/dbraw/zinc/25/25/30/661252530.db2.gz SRFXDTRCSHZWJL-UHFFFAOYSA-N -1 0 354.388 -0.585 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2cc(C)c(F)cc2F)c(=O)n1C ZINC000847659826 661252528 /nfs/dbraw/zinc/25/25/28/661252528.db2.gz ARICQYDZDVRIHM-UHFFFAOYSA-N -1 0 360.342 -0.018 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000847659894 661252543 /nfs/dbraw/zinc/25/25/43/661252543.db2.gz CFNPBDZKYBAFDT-HNNXBMFYSA-N -1 0 355.416 -0.617 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000847659895 661252493 /nfs/dbraw/zinc/25/24/93/661252493.db2.gz CFNPBDZKYBAFDT-OAHLLOKOSA-N -1 0 355.416 -0.617 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2cc(F)c(C)cc2F)c(=O)n1C ZINC000847660863 661252539 /nfs/dbraw/zinc/25/25/39/661252539.db2.gz DBTZTNNOUQFWCZ-UHFFFAOYSA-N -1 0 360.342 -0.018 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2ccc(C)c(N(C)C)c2)c(=O)n1C ZINC000847662980 661252545 /nfs/dbraw/zinc/25/25/45/661252545.db2.gz XTHZLBIDEPESCZ-UHFFFAOYSA-N -1 0 367.431 -0.230 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000847663689 661252491 /nfs/dbraw/zinc/25/24/91/661252491.db2.gz ZTGCKRVVPLBYLB-UHFFFAOYSA-N -1 0 355.482 -0.249 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000847665524 661252558 /nfs/dbraw/zinc/25/25/58/661252558.db2.gz VJWFQMKOBPHYKO-INIZCTEOSA-N -1 0 370.427 -0.447 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000847665525 661252485 /nfs/dbraw/zinc/25/24/85/661252485.db2.gz VJWFQMKOBPHYKO-MRXNPFEDSA-N -1 0 370.427 -0.447 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)Cc2c(F)cccc2F)c(=O)n1C ZINC000847666840 661252494 /nfs/dbraw/zinc/25/24/94/661252494.db2.gz QZTBVLLBEUOJON-UHFFFAOYSA-N -1 0 360.342 -0.185 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)Cn1nc(C)n(C)c1=O ZINC000847668458 661252564 /nfs/dbraw/zinc/25/25/64/661252564.db2.gz QUNCXEQYBFWLAJ-UHFFFAOYSA-N -1 0 370.435 -0.746 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2cn(C)c3ccccc23)c(=O)n1C ZINC000847669470 661252858 /nfs/dbraw/zinc/25/28/58/661252858.db2.gz HRPSWWTUXVQSSZ-UHFFFAOYSA-N -1 0 363.399 -0.113 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2cnc(N(C)C)cn2)s1 ZINC000847670411 661252876 /nfs/dbraw/zinc/25/28/76/661252876.db2.gz ZKBPRCMFDKFSGG-UHFFFAOYSA-N -1 0 371.404 -0.529 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000847670872 661252831 /nfs/dbraw/zinc/25/28/31/661252831.db2.gz VOZCPJVHERYTIS-BLLLJJGKSA-N -1 0 352.412 -0.073 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000847670874 661252898 /nfs/dbraw/zinc/25/28/98/661252898.db2.gz VOZCPJVHERYTIS-LRDDRELGSA-N -1 0 352.412 -0.073 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000847670876 661252694 /nfs/dbraw/zinc/25/26/94/661252694.db2.gz VOZCPJVHERYTIS-MLGOLLRUSA-N -1 0 352.412 -0.073 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000847670878 661252835 /nfs/dbraw/zinc/25/28/35/661252835.db2.gz VOZCPJVHERYTIS-WBMJQRKESA-N -1 0 352.412 -0.073 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000847672705 661252840 /nfs/dbraw/zinc/25/28/40/661252840.db2.gz YZPFUIIKBBZVIO-UHFFFAOYSA-N -1 0 370.449 -0.943 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c(=O)n1C ZINC000847673734 661252869 /nfs/dbraw/zinc/25/28/69/661252869.db2.gz IYXRXWCOWUFKQH-UHFFFAOYSA-N -1 0 366.399 -0.280 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)c(=O)n1C ZINC000847674463 661252822 /nfs/dbraw/zinc/25/28/22/661252822.db2.gz FQOFKHXYQLWPLC-UHFFFAOYSA-N -1 0 354.344 -0.876 20 0 FBADRM CCOc1ccccc1S(=O)(=O)[N-]C(=O)Cn1nc(C)n(C)c1=O ZINC000847674519 661252827 /nfs/dbraw/zinc/25/28/27/661252827.db2.gz GIGSINILSKZGHV-UHFFFAOYSA-N -1 0 354.388 -0.206 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)COC3)c(=O)n1C ZINC000847674812 661252800 /nfs/dbraw/zinc/25/28/00/661252800.db2.gz JWDRLXIXASVDES-UHFFFAOYSA-N -1 0 352.372 -0.574 20 0 FBADRM COCc1ccccc1S(=O)(=O)[N-]C(=O)Cn1nc(C)n(C)c1=O ZINC000847675594 661252783 /nfs/dbraw/zinc/25/27/83/661252783.db2.gz HFQGXPNFCZYHFM-UHFFFAOYSA-N -1 0 354.388 -0.458 20 0 FBADRM Cc1nn(CC(=O)OCCOCC[N-]C(=O)C(F)(F)F)c(=O)n1C ZINC000847676041 661252887 /nfs/dbraw/zinc/25/28/87/661252887.db2.gz MDJRTDZIOGHRTO-UHFFFAOYSA-N -1 0 354.285 -0.871 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)CC1 ZINC000847676678 661252883 /nfs/dbraw/zinc/25/28/83/661252883.db2.gz ROMPVARPFDBRBE-GFCCVEGCSA-N -1 0 368.477 -0.327 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)CC1 ZINC000847676679 661252809 /nfs/dbraw/zinc/25/28/09/661252809.db2.gz ROMPVARPFDBRBE-LBPRGKRZSA-N -1 0 368.477 -0.327 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2cn(CC(C)C)cn2)c(=O)n1C ZINC000847677314 661252894 /nfs/dbraw/zinc/25/28/94/661252894.db2.gz ASNYGUWRTKYLHS-UHFFFAOYSA-N -1 0 356.408 -0.752 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)CC1 ZINC000847678114 661252755 /nfs/dbraw/zinc/25/27/55/661252755.db2.gz NAIKKIWUCUMQCO-GFCCVEGCSA-N -1 0 368.477 -0.327 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC000847678115 661252844 /nfs/dbraw/zinc/25/28/44/661252844.db2.gz NAIKKIWUCUMQCO-LBPRGKRZSA-N -1 0 368.477 -0.327 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)Cn2nc(C)n(C)c2=O)cn1 ZINC000847679373 661252733 /nfs/dbraw/zinc/25/27/33/661252733.db2.gz SRCBKTSDEUJMGO-UHFFFAOYSA-N -1 0 355.376 -0.811 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCc1ccc2c(c1)OC(F)(F)O2 ZINC000847679843 661252866 /nfs/dbraw/zinc/25/28/66/661252866.db2.gz VBAOFOLKTSYDPW-UHFFFAOYSA-N -1 0 350.299 -0.128 20 0 FBADRM COc1cccc(CS(=O)(=O)[N-]C(=O)Cn2nc(C)n(C)c2=O)c1 ZINC000847680054 661253096 /nfs/dbraw/zinc/25/30/96/661253096.db2.gz BUDBGPSUUIEYJW-UHFFFAOYSA-N -1 0 354.388 -0.455 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)c1cnc(N(C)C)cn1 ZINC000847680495 661253159 /nfs/dbraw/zinc/25/31/59/661253159.db2.gz MDDXWYRHINAUCO-UHFFFAOYSA-N -1 0 371.400 -0.096 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000847681275 661253054 /nfs/dbraw/zinc/25/30/54/661253054.db2.gz WJHHDMTWCNTODM-BMIGLBTASA-N -1 0 354.384 -0.548 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000847681276 661253091 /nfs/dbraw/zinc/25/30/91/661253091.db2.gz WJHHDMTWCNTODM-BONVTDFDSA-N -1 0 354.384 -0.548 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000847681277 661253154 /nfs/dbraw/zinc/25/31/54/661253154.db2.gz WJHHDMTWCNTODM-MEBBXXQBSA-N -1 0 354.384 -0.548 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000847681278 661253071 /nfs/dbraw/zinc/25/30/71/661253071.db2.gz WJHHDMTWCNTODM-ZUZCIYMTSA-N -1 0 354.384 -0.548 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000847681324 661253048 /nfs/dbraw/zinc/25/30/48/661253048.db2.gz XSPVIJUGBSQBJX-SECBINFHSA-N -1 0 370.449 -0.944 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000847681325 661253132 /nfs/dbraw/zinc/25/31/32/661253132.db2.gz XSPVIJUGBSQBJX-VIFPVBQESA-N -1 0 370.449 -0.944 20 0 FBADRM COc1ccccc1CS(=O)(=O)[N-]C(=O)Cn1nc(C)n(C)c1=O ZINC000847684164 661253151 /nfs/dbraw/zinc/25/31/51/661253151.db2.gz YKRPVKSQWHIRCN-UHFFFAOYSA-N -1 0 354.388 -0.455 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cn1 ZINC000847687003 661253116 /nfs/dbraw/zinc/25/31/16/661253116.db2.gz SJQNTQNJTGLZSF-BDAKNGLRSA-N -1 0 368.375 -0.686 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cn1 ZINC000847687004 661253126 /nfs/dbraw/zinc/25/31/26/661253126.db2.gz SJQNTQNJTGLZSF-DTWKUNHWSA-N -1 0 368.375 -0.686 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cn1 ZINC000847687005 661253061 /nfs/dbraw/zinc/25/30/61/661253061.db2.gz SJQNTQNJTGLZSF-IUCAKERBSA-N -1 0 368.375 -0.686 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cn1 ZINC000847687006 661253094 /nfs/dbraw/zinc/25/30/94/661253094.db2.gz SJQNTQNJTGLZSF-RKDXNWHRSA-N -1 0 368.375 -0.686 20 0 FBADRM COc1ccc(CCS(=O)(=O)[N-]C(=O)Cn2nc(C)n(C)c2=O)cc1 ZINC000847687701 661253149 /nfs/dbraw/zinc/25/31/49/661253149.db2.gz UDDBAGXSNNKOSB-UHFFFAOYSA-N -1 0 368.415 -0.412 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)c2cnc(N(C)C)cn2)c(C)nn1C ZINC000847689008 661253102 /nfs/dbraw/zinc/25/31/02/661253102.db2.gz MWTDJYLPDJBIIQ-UHFFFAOYSA-N -1 0 354.392 -0.288 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2cnn(CC3CC3)c2)c(=O)n1C ZINC000847690659 661253109 /nfs/dbraw/zinc/25/31/09/661253109.db2.gz KRKPJALGMFQUIB-UHFFFAOYSA-N -1 0 354.392 -0.998 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000847694756 661253037 /nfs/dbraw/zinc/25/30/37/661253037.db2.gz QFHJNEIEMXUDEU-JTQLQIEISA-N -1 0 356.466 -0.471 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000847694757 661253134 /nfs/dbraw/zinc/25/31/34/661253134.db2.gz QFHJNEIEMXUDEU-SNVBAGLBSA-N -1 0 356.466 -0.471 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2C)c(=O)n1C ZINC000847694999 661253163 /nfs/dbraw/zinc/25/31/63/661253163.db2.gz QWENNMLBXFZKKZ-UHFFFAOYSA-N -1 0 356.379 -0.016 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)Cc2ccc(C)cc2F)c(=O)n1C ZINC000847695637 661253155 /nfs/dbraw/zinc/25/31/55/661253155.db2.gz XWUFXGLGXWIZAT-UHFFFAOYSA-N -1 0 356.379 -0.016 20 0 FBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cn1 ZINC000847696163 661253106 /nfs/dbraw/zinc/25/31/06/661253106.db2.gz FEMKRPZUUYQMSA-UHFFFAOYSA-N -1 0 354.392 -0.068 20 0 FBADRM COc1cc(OC)cc(S(=O)(=O)[N-]C(=O)Cn2nc(C)n(C)c2=O)c1 ZINC000847696495 661253474 /nfs/dbraw/zinc/25/34/74/661253474.db2.gz JZPHCTVFPSSOMD-UHFFFAOYSA-N -1 0 370.387 -0.587 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCO3)c(=O)n1C ZINC000847701553 661253457 /nfs/dbraw/zinc/25/34/57/661253457.db2.gz WBGNYKFHCUDJOE-UHFFFAOYSA-N -1 0 352.372 -0.670 20 0 FBADRM COCc1cccc(CS(=O)(=O)[N-]C(=O)Cn2nc(C)n(C)c2=O)c1 ZINC000847702191 661253451 /nfs/dbraw/zinc/25/34/51/661253451.db2.gz CGWTZSITTWWZCO-UHFFFAOYSA-N -1 0 368.415 -0.317 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2cccc3nsnc32)c(=O)n1C ZINC000847702232 661253470 /nfs/dbraw/zinc/25/34/70/661253470.db2.gz LYESZCVJCZWCSE-UHFFFAOYSA-N -1 0 368.400 -0.600 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000847703471 661253473 /nfs/dbraw/zinc/25/34/73/661253473.db2.gz HHCSGMWRPQYKEV-HNNXBMFYSA-N -1 0 364.383 -0.172 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000847703475 661253466 /nfs/dbraw/zinc/25/34/66/661253466.db2.gz HHCSGMWRPQYKEV-OAHLLOKOSA-N -1 0 364.383 -0.172 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)Cn2nc(C)n(C)c2=O)c(C)c1 ZINC000847707732 661253423 /nfs/dbraw/zinc/25/34/23/661253423.db2.gz ZOWXWRHKTSAKAG-UHFFFAOYSA-N -1 0 354.388 -0.288 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)[N-]C(=O)Cn1nc(C)n(C)c1=O ZINC000847707993 661253463 /nfs/dbraw/zinc/25/34/63/661253463.db2.gz BLEFTRZJHVODCX-UHFFFAOYSA-N -1 0 359.433 -0.656 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000847708332 661253379 /nfs/dbraw/zinc/25/33/79/661253379.db2.gz HLMWCJPICHVHOA-HNNXBMFYSA-N -1 0 354.384 -0.547 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000847708334 661253468 /nfs/dbraw/zinc/25/34/68/661253468.db2.gz HLMWCJPICHVHOA-OAHLLOKOSA-N -1 0 354.384 -0.547 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)Cn1nc(C)n(C)c1=O ZINC000847708796 661253370 /nfs/dbraw/zinc/25/33/70/661253370.db2.gz YXLMUUWUYCUQIS-JTQLQIEISA-N -1 0 362.408 -0.932 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)Cn1nc(C)n(C)c1=O ZINC000847708798 661253433 /nfs/dbraw/zinc/25/34/33/661253433.db2.gz YXLMUUWUYCUQIS-SNVBAGLBSA-N -1 0 362.408 -0.932 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000847709081 661253475 /nfs/dbraw/zinc/25/34/75/661253475.db2.gz QJEGVZQGFQEKFX-UHFFFAOYSA-N -1 0 370.449 -0.943 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCOC1)c1ccc(-n2cnnn2)cn1 ZINC000847709543 661253402 /nfs/dbraw/zinc/25/34/02/661253402.db2.gz UEUUXRATTHDGLV-JTQLQIEISA-N -1 0 352.376 -0.457 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCOC1)c1ccc(-n2cnnn2)cn1 ZINC000847709544 661253352 /nfs/dbraw/zinc/25/33/52/661253352.db2.gz UEUUXRATTHDGLV-SNVBAGLBSA-N -1 0 352.376 -0.457 20 0 FBADRM COCc1ccccc1CS(=O)(=O)[N-]C(=O)Cn1nc(C)n(C)c1=O ZINC000847709830 661253477 /nfs/dbraw/zinc/25/34/77/661253477.db2.gz CKNLTJCWVVCEPB-UHFFFAOYSA-N -1 0 368.415 -0.317 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000847710900 661253459 /nfs/dbraw/zinc/25/34/59/661253459.db2.gz GBZARUHFCRRROJ-INIZCTEOSA-N -1 0 362.411 -0.009 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000847710901 661253388 /nfs/dbraw/zinc/25/33/88/661253388.db2.gz GBZARUHFCRRROJ-MRXNPFEDSA-N -1 0 362.411 -0.009 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cn1 ZINC000847713211 661253442 /nfs/dbraw/zinc/25/34/42/661253442.db2.gz PROJIHSILMCMIW-UHFFFAOYSA-N -1 0 368.375 -0.684 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000847713559 661253476 /nfs/dbraw/zinc/25/34/76/661253476.db2.gz UQCFCWLGWWVXFW-UHFFFAOYSA-N -1 0 368.477 -0.327 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2ccc(C)c(F)c2F)c(=O)n1C ZINC000847713736 661253395 /nfs/dbraw/zinc/25/33/95/661253395.db2.gz ACBBKAZIICGFMY-UHFFFAOYSA-N -1 0 360.342 -0.018 20 0 FBADRM CN(C)c1cnc(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)cn1 ZINC000847715002 661253685 /nfs/dbraw/zinc/25/36/85/661253685.db2.gz GQOPKLVSTVFWKN-UHFFFAOYSA-N -1 0 352.376 -0.360 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cn(C(C)C)nc2C)CC1 ZINC000847715116 661253647 /nfs/dbraw/zinc/25/36/47/661253647.db2.gz FMBBWHZUCICCGU-UHFFFAOYSA-N -1 0 357.436 -0.089 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn2c1OCCC2)c1ccc2c(n1)OCCO2 ZINC000847715186 661253731 /nfs/dbraw/zinc/25/37/31/661253731.db2.gz IYWZRLNXJFSOTP-UHFFFAOYSA-N -1 0 366.355 -0.050 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccn(C(C)(C)C)n2)CC1 ZINC000847716004 661253768 /nfs/dbraw/zinc/25/37/68/661253768.db2.gz MVWKGNXYAVXGRA-UHFFFAOYSA-N -1 0 357.436 -0.223 20 0 FBADRM COc1cnc(F)c(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000847716084 661253750 /nfs/dbraw/zinc/25/37/50/661253750.db2.gz NRQJMPATAPYCJP-UHFFFAOYSA-N -1 0 360.367 -0.632 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000847716608 661253777 /nfs/dbraw/zinc/25/37/77/661253777.db2.gz BJNRUKLEXOTFCD-INIZCTEOSA-N -1 0 362.411 -0.009 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000847716609 661253657 /nfs/dbraw/zinc/25/36/57/661253657.db2.gz BJNRUKLEXOTFCD-MRXNPFEDSA-N -1 0 362.411 -0.009 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@]2(c3ccccc3)CNC(=O)C2)cnn1C ZINC000847717319 661253785 /nfs/dbraw/zinc/25/37/85/661253785.db2.gz IZYJTLKZAIAACT-INIZCTEOSA-N -1 0 362.411 -0.009 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@@]2(c3ccccc3)CNC(=O)C2)cnn1C ZINC000847717320 661253628 /nfs/dbraw/zinc/25/36/28/661253628.db2.gz IZYJTLKZAIAACT-MRXNPFEDSA-N -1 0 362.411 -0.009 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)CCOCc2ccccc2)c(=O)n1C ZINC000847719036 661253641 /nfs/dbraw/zinc/25/36/41/661253641.db2.gz IGOWIHWUFTYPLF-UHFFFAOYSA-N -1 0 368.415 -0.447 20 0 FBADRM CN(C)c1cnc(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)cn1 ZINC000847721214 661253601 /nfs/dbraw/zinc/25/36/01/661253601.db2.gz WJSABBJCJCPVIZ-JTQLQIEISA-N -1 0 366.403 -0.181 20 0 FBADRM CN(C)c1cnc(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cn1 ZINC000847721221 661253681 /nfs/dbraw/zinc/25/36/81/661253681.db2.gz WJSABBJCJCPVIZ-SNVBAGLBSA-N -1 0 366.403 -0.181 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2nc(Cl)cs2)c(=O)n1C ZINC000847723644 661253726 /nfs/dbraw/zinc/25/37/26/661253726.db2.gz QVLZDVAHAYHOAP-UHFFFAOYSA-N -1 0 351.797 -0.495 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2cncc(OC(C)C)c2)c(=O)n1C ZINC000847724224 661253771 /nfs/dbraw/zinc/25/37/71/661253771.db2.gz HAAZZGCSFGSWDD-UHFFFAOYSA-N -1 0 369.403 -0.422 20 0 FBADRM CC(C)(C)OCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cn1 ZINC000847724749 661253608 /nfs/dbraw/zinc/25/36/08/661253608.db2.gz HFYXXEFZWGPQFK-UHFFFAOYSA-N -1 0 354.392 -0.068 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)c(=O)n1C ZINC000847728376 661253717 /nfs/dbraw/zinc/25/37/17/661253717.db2.gz WTQBTQWQCKVCIM-UHFFFAOYSA-N -1 0 356.408 -0.748 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)[C@]2(c3ccccc3)CNC(=O)C2)cn1C ZINC000847728685 661253818 /nfs/dbraw/zinc/25/38/18/661253818.db2.gz HIRKKGFNUOLEQT-INIZCTEOSA-N -1 0 362.411 -0.009 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)[C@@]2(c3ccccc3)CNC(=O)C2)cn1C ZINC000847728686 661253798 /nfs/dbraw/zinc/25/37/98/661253798.db2.gz HIRKKGFNUOLEQT-MRXNPFEDSA-N -1 0 362.411 -0.009 20 0 FBADRM Cn1cccc1S(=O)(=O)[N-]C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000847729884 661253795 /nfs/dbraw/zinc/25/37/95/661253795.db2.gz CRKFQQJKEGGJBQ-UHFFFAOYSA-N -1 0 363.461 -0.108 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)Cc2ccc3c(c2)COC3)c(=O)n1C ZINC000847731596 661253588 /nfs/dbraw/zinc/25/35/88/661253588.db2.gz HBEJBZFVVDNYOT-UHFFFAOYSA-N -1 0 366.399 -0.433 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2c(F)cc(C)cc2F)c(=O)n1C ZINC000847732275 661253789 /nfs/dbraw/zinc/25/37/89/661253789.db2.gz PKQDVCOOKUBKPY-UHFFFAOYSA-N -1 0 360.342 -0.018 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)Cc2cccc(F)c2F)c(=O)n1C ZINC000847732959 661253781 /nfs/dbraw/zinc/25/37/81/661253781.db2.gz DBGLMQWDFYQMQY-UHFFFAOYSA-N -1 0 360.342 -0.185 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C(=O)Cn2nc(C)n(C)c2=O)c(C)o1 ZINC000847734412 661253665 /nfs/dbraw/zinc/25/36/65/661253665.db2.gz GSPNUGJMUZVLOS-UHFFFAOYSA-N -1 0 372.359 -0.917 20 0 FBADRM CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[N-]OCCO)cc1 ZINC000847757073 661254069 /nfs/dbraw/zinc/25/40/69/661254069.db2.gz UEZGGJMBGMEBIP-DZGCQCFKSA-N -1 0 372.443 -0.026 20 0 FBADRM CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[N-]OCCO)cc1 ZINC000847757074 661254081 /nfs/dbraw/zinc/25/40/81/661254081.db2.gz UEZGGJMBGMEBIP-HIFRSBDPSA-N -1 0 372.443 -0.026 20 0 FBADRM CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[N-]OCCO)cc1 ZINC000847757075 661254000 /nfs/dbraw/zinc/25/40/00/661254000.db2.gz UEZGGJMBGMEBIP-UKRRQHHQSA-N -1 0 372.443 -0.026 20 0 FBADRM CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[N-]OCCO)cc1 ZINC000847757076 661253921 /nfs/dbraw/zinc/25/39/21/661253921.db2.gz UEZGGJMBGMEBIP-ZFWWWQNUSA-N -1 0 372.443 -0.026 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)C1=O ZINC000847843323 661254746 /nfs/dbraw/zinc/25/47/46/661254746.db2.gz AZLZSFCTDHKMNJ-UHFFFAOYSA-N -1 0 371.419 -0.523 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)cn1 ZINC000847843380 661254659 /nfs/dbraw/zinc/25/46/59/661254659.db2.gz CWYGAXUMCLHCPM-BDAKNGLRSA-N -1 0 368.337 -0.177 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)cn1 ZINC000847843381 661254709 /nfs/dbraw/zinc/25/47/09/661254709.db2.gz CWYGAXUMCLHCPM-DTWKUNHWSA-N -1 0 368.337 -0.177 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)cn1 ZINC000847843382 661254751 /nfs/dbraw/zinc/25/47/51/661254751.db2.gz CWYGAXUMCLHCPM-IUCAKERBSA-N -1 0 368.337 -0.177 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)cn1 ZINC000847843383 661254704 /nfs/dbraw/zinc/25/47/04/661254704.db2.gz CWYGAXUMCLHCPM-RKDXNWHRSA-N -1 0 368.337 -0.177 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cn1 ZINC000847843441 661254766 /nfs/dbraw/zinc/25/47/66/661254766.db2.gz GADMFRXKYPAKRT-AWEZNQCLSA-N -1 0 369.403 -0.913 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cn1 ZINC000847843442 661254742 /nfs/dbraw/zinc/25/47/42/661254742.db2.gz GADMFRXKYPAKRT-CQSZACIVSA-N -1 0 369.403 -0.913 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cn1 ZINC000847843445 661254727 /nfs/dbraw/zinc/25/47/27/661254727.db2.gz GBIMJEYIDSZEOR-GWCFXTLKSA-N -1 0 358.445 -0.180 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cn1 ZINC000847843446 661254764 /nfs/dbraw/zinc/25/47/64/661254764.db2.gz GBIMJEYIDSZEOR-GXFFZTMASA-N -1 0 358.445 -0.180 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cn1 ZINC000847843447 661254695 /nfs/dbraw/zinc/25/46/95/661254695.db2.gz GBIMJEYIDSZEOR-MFKMUULPSA-N -1 0 358.445 -0.180 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cn1 ZINC000847843448 661254740 /nfs/dbraw/zinc/25/47/40/661254740.db2.gz GBIMJEYIDSZEOR-ZWNOBZJWSA-N -1 0 358.445 -0.180 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)CSc2nnnn2C2CC2)cn1 ZINC000847843579 661254753 /nfs/dbraw/zinc/25/47/53/661254753.db2.gz JQJBNVAHNLXXIG-UHFFFAOYSA-N -1 0 357.421 -0.520 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)Cn2c3ccccc3n(C)c2=O)cn1 ZINC000847843798 661254682 /nfs/dbraw/zinc/25/46/82/661254682.db2.gz DYTAXGYZTASLQZ-UHFFFAOYSA-N -1 0 363.399 -0.280 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cn1 ZINC000847843821 661254647 /nfs/dbraw/zinc/25/46/47/661254647.db2.gz NMRYSSBGGVKQIA-SECBINFHSA-N -1 0 368.337 -0.223 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cn1 ZINC000847843822 661254675 /nfs/dbraw/zinc/25/46/75/661254675.db2.gz NMRYSSBGGVKQIA-VIFPVBQESA-N -1 0 368.337 -0.223 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@H]2CCCCN2S(C)(=O)=O)cn1 ZINC000847843850 661254712 /nfs/dbraw/zinc/25/47/12/661254712.db2.gz NVOGPJSVGZAVJF-LLVKDONJSA-N -1 0 364.449 -0.820 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCCCN2S(C)(=O)=O)cn1 ZINC000847843865 661254737 /nfs/dbraw/zinc/25/47/37/661254737.db2.gz NVOGPJSVGZAVJF-NSHDSACASA-N -1 0 364.449 -0.820 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)CN2C(=O)COc3ccccc32)cn1 ZINC000847843945 661254652 /nfs/dbraw/zinc/25/46/52/661254652.db2.gz GTSPYMTVVDFNAS-UHFFFAOYSA-N -1 0 364.383 -0.208 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)c2ccc(N3CCOCC3)nc2)cn1 ZINC000847843996 661254771 /nfs/dbraw/zinc/25/47/71/661254771.db2.gz HDJJTTBXDMDXPN-UHFFFAOYSA-N -1 0 365.415 -0.089 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)CN2C(=O)NC3(CCCC3)C2=O)cn1 ZINC000847844055 661254686 /nfs/dbraw/zinc/25/46/86/661254686.db2.gz QGBYJBIFOVPOFD-UHFFFAOYSA-N -1 0 369.403 -0.769 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)CCCN2C(=O)NC(C)(C)C2=O)cn1 ZINC000847844178 661254748 /nfs/dbraw/zinc/25/47/48/661254748.db2.gz SRYDGHSCJBERHX-UHFFFAOYSA-N -1 0 371.419 -0.523 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)CNC(=O)Cc2cccc(F)c2)cn1 ZINC000847844594 661254747 /nfs/dbraw/zinc/25/47/47/661254747.db2.gz ZCKZHRFEZQFIHW-UHFFFAOYSA-N -1 0 368.390 -0.136 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cn1 ZINC000847844713 661254715 /nfs/dbraw/zinc/25/47/15/661254715.db2.gz TUMSHBRDDAORLD-RYUDHWBXSA-N -1 0 368.415 -0.459 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cn1 ZINC000847844714 661254743 /nfs/dbraw/zinc/25/47/43/661254743.db2.gz TUMSHBRDDAORLD-TXEJJXNPSA-N -1 0 368.415 -0.459 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cn1 ZINC000847844715 661254649 /nfs/dbraw/zinc/25/46/49/661254649.db2.gz TUMSHBRDDAORLD-VXGBXAGGSA-N -1 0 368.415 -0.459 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)ccc1=O ZINC000847845450 661254673 /nfs/dbraw/zinc/25/46/73/661254673.db2.gz RLARUSRTZWLNLB-UHFFFAOYSA-N -1 0 354.388 -0.512 20 0 FBADRM C[C@@H](Sc1nnnn1C1CC1)C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC000847845648 661254717 /nfs/dbraw/zinc/25/47/17/661254717.db2.gz XVLRNFAESDRWHX-MRVPVSSYSA-N -1 0 371.448 -0.132 20 0 FBADRM C[C@H](Sc1nnnn1C1CC1)C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC000847845650 661254655 /nfs/dbraw/zinc/25/46/55/661254655.db2.gz XVLRNFAESDRWHX-QMMMGPOBSA-N -1 0 371.448 -0.132 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)c2cn(CC(=O)C(C)(C)C)nn2)cn1 ZINC000847846382 661254732 /nfs/dbraw/zinc/25/47/32/661254732.db2.gz OLZMFWALGUUTTL-UHFFFAOYSA-N -1 0 368.419 -0.113 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)CCCNC(=O)c2cccnc2)cn1 ZINC000847846571 661254669 /nfs/dbraw/zinc/25/46/69/661254669.db2.gz RIBZBRREEWBUET-UHFFFAOYSA-N -1 0 365.415 -0.029 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)c2cncc(N3CCOCC3)c2)cn1 ZINC000847846730 661254663 /nfs/dbraw/zinc/25/46/63/661254663.db2.gz UCADQSCZDJYPHI-UHFFFAOYSA-N -1 0 365.415 -0.089 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)c2ccn(CCn3cccn3)n2)cn1 ZINC000847847340 661254719 /nfs/dbraw/zinc/25/47/19/661254719.db2.gz HKSCXVPZILHPAZ-UHFFFAOYSA-N -1 0 363.403 -0.227 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)cn1 ZINC000847847674 661254759 /nfs/dbraw/zinc/25/47/59/661254759.db2.gz PWJHRUSMXQPTJB-SECBINFHSA-N -1 0 368.337 -0.081 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)cn1 ZINC000847847675 661254691 /nfs/dbraw/zinc/25/46/91/661254691.db2.gz PWJHRUSMXQPTJB-VIFPVBQESA-N -1 0 368.337 -0.081 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@@H]2COCCN2CC(F)(F)F)cn1 ZINC000847847756 661254744 /nfs/dbraw/zinc/25/47/44/661254744.db2.gz TXKRGVCSTAZSAI-JTQLQIEISA-N -1 0 370.353 -0.371 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@H]2COCCN2CC(F)(F)F)cn1 ZINC000847847757 661254642 /nfs/dbraw/zinc/25/46/42/661254642.db2.gz TXKRGVCSTAZSAI-SNVBAGLBSA-N -1 0 370.353 -0.371 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@@H]2COCCN2CC(F)F)cn1 ZINC000847847770 661254724 /nfs/dbraw/zinc/25/47/24/661254724.db2.gz ULHJKLWDEAFMNU-JTQLQIEISA-N -1 0 352.363 -0.668 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@H]2COCCN2CC(F)F)cn1 ZINC000847847771 661254650 /nfs/dbraw/zinc/25/46/50/661254650.db2.gz ULHJKLWDEAFMNU-SNVBAGLBSA-N -1 0 352.363 -0.668 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cn1 ZINC000847847805 661254910 /nfs/dbraw/zinc/25/49/10/661254910.db2.gz WGXRJQAODKSOGT-TXEJJXNPSA-N -1 0 366.399 -0.683 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1cnn(C)c1)n1cccn1 ZINC000847847870 661254990 /nfs/dbraw/zinc/25/49/90/661254990.db2.gz XBSNEEDSJBADQB-LLVKDONJSA-N -1 0 368.419 -0.718 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1cnn(C)c1)n1cccn1 ZINC000847847872 661254912 /nfs/dbraw/zinc/25/49/12/661254912.db2.gz XBSNEEDSJBADQB-NSHDSACASA-N -1 0 368.419 -0.718 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)Cn2nnnc2-c2ccsc2)cn1 ZINC000847847933 661254852 /nfs/dbraw/zinc/25/48/52/661254852.db2.gz DINBUAVHAMOZFM-UHFFFAOYSA-N -1 0 367.416 -0.219 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)c2c3n(c(=O)n2C)CCCC3)cn1 ZINC000847847961 661254928 /nfs/dbraw/zinc/25/49/28/661254928.db2.gz XMJFSLRDJFLJGB-UHFFFAOYSA-N -1 0 353.404 -0.484 20 0 FBADRM Cc1nn(C)c(-n2cccn2)c1C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC000847848164 661254918 /nfs/dbraw/zinc/25/49/18/661254918.db2.gz APCNOUYUCMJQRG-UHFFFAOYSA-N -1 0 363.403 -0.092 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)C2(n3cnnn3)CCCCC2)cn1 ZINC000847848209 661254944 /nfs/dbraw/zinc/25/49/44/661254944.db2.gz JXBPHSHEMJZELZ-UHFFFAOYSA-N -1 0 353.408 -0.288 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC000847848451 661254979 /nfs/dbraw/zinc/25/49/79/661254979.db2.gz FESQQMLJSGUYPN-UHFFFAOYSA-N -1 0 352.438 -0.962 20 0 FBADRM COc1c2cnn(C)c2ncc1C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC000847848651 661255021 /nfs/dbraw/zinc/25/50/21/661255021.db2.gz JBRYKXJXZZTOTO-UHFFFAOYSA-N -1 0 364.387 -0.030 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@]2(c3ccccc3)CNC(=O)C2)cn1 ZINC000847848764 661255025 /nfs/dbraw/zinc/25/50/25/661255025.db2.gz UKVKQXYATPCXMV-INIZCTEOSA-N -1 0 362.411 -0.176 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@@]2(c3ccccc3)CNC(=O)C2)cn1 ZINC000847848765 661254904 /nfs/dbraw/zinc/25/49/04/661254904.db2.gz UKVKQXYATPCXMV-MRXNPFEDSA-N -1 0 362.411 -0.176 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1)n1nnnc1C(C)(C)C ZINC000847849050 661255012 /nfs/dbraw/zinc/25/50/12/661255012.db2.gz QNROMZOMBAIZHS-SECBINFHSA-N -1 0 355.424 -0.089 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1)n1nnnc1C(C)(C)C ZINC000847849051 661254940 /nfs/dbraw/zinc/25/49/40/661254940.db2.gz QNROMZOMBAIZHS-VIFPVBQESA-N -1 0 355.424 -0.089 20 0 FBADRM COc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)cc1 ZINC000847849082 661254998 /nfs/dbraw/zinc/25/49/98/661254998.db2.gz RKOPJNYXBPWPNE-UHFFFAOYSA-N -1 0 366.399 -0.195 20 0 FBADRM O=C(CCN1C(=O)CCNC1=S)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000847874150 661254974 /nfs/dbraw/zinc/25/49/74/661254974.db2.gz COCSFCNNXQMDNK-UHFFFAOYSA-N -1 0 361.387 -0.197 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC000847886768 661254933 /nfs/dbraw/zinc/25/49/33/661254933.db2.gz NOIXHZHMCHTQQX-INIZCTEOSA-N -1 0 367.427 -0.584 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC000847886769 661255008 /nfs/dbraw/zinc/25/50/08/661255008.db2.gz NOIXHZHMCHTQQX-MRXNPFEDSA-N -1 0 367.427 -0.584 20 0 FBADRM CCn1c2cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)ccc2[nH]c1=O ZINC000847887051 661254915 /nfs/dbraw/zinc/25/49/15/661254915.db2.gz YMHCUTDHIPVRCH-UHFFFAOYSA-N -1 0 354.388 -0.043 20 0 FBADRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)N1CCCC1=O ZINC000847995102 661255879 /nfs/dbraw/zinc/25/58/79/661255879.db2.gz AHGAMMGYHNUSCX-LLVKDONJSA-N -1 0 358.376 -0.775 20 0 FBADRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)N1CCCC1=O ZINC000847995103 661255849 /nfs/dbraw/zinc/25/58/49/661255849.db2.gz AHGAMMGYHNUSCX-NSHDSACASA-N -1 0 358.376 -0.775 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)on1 ZINC000847995189 661255847 /nfs/dbraw/zinc/25/58/47/661255847.db2.gz COCPVSCZMHPDCR-MRVPVSSYSA-N -1 0 370.387 -0.631 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)on1 ZINC000847995199 661255799 /nfs/dbraw/zinc/25/57/99/661255799.db2.gz COCPVSCZMHPDCR-QMMMGPOBSA-N -1 0 370.387 -0.631 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)CNC(=O)CC2CCCCC2)on1 ZINC000847995241 661255808 /nfs/dbraw/zinc/25/58/08/661255808.db2.gz CEYPGCSOTXPLIH-UHFFFAOYSA-N -1 0 372.403 -0.335 20 0 FBADRM C[C@@H](NC(=O)C1CCCC1)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847995249 661255872 /nfs/dbraw/zinc/25/58/72/661255872.db2.gz DJYFFYGBBQEOQC-SSDOTTSWSA-N -1 0 358.376 -0.727 20 0 FBADRM C[C@H](NC(=O)C1CCCC1)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847995253 661255857 /nfs/dbraw/zinc/25/58/57/661255857.db2.gz DJYFFYGBBQEOQC-ZETCQYMHSA-N -1 0 358.376 -0.727 20 0 FBADRM CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847995413 661255867 /nfs/dbraw/zinc/25/58/67/661255867.db2.gz FNACZEJHDCSJGV-SECBINFHSA-N -1 0 372.403 -0.385 20 0 FBADRM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847995414 661255881 /nfs/dbraw/zinc/25/58/81/661255881.db2.gz FNACZEJHDCSJGV-VIFPVBQESA-N -1 0 372.403 -0.385 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)C[C@H]2CSCCS2)on1 ZINC000847995487 661255880 /nfs/dbraw/zinc/25/58/80/661255880.db2.gz FLAWSLGWYQPCFA-LURJTMIESA-N -1 0 351.431 -0.183 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)C[C@@H]2CSCCS2)on1 ZINC000847995488 661255823 /nfs/dbraw/zinc/25/58/23/661255823.db2.gz FLAWSLGWYQPCFA-ZCFIWIBFSA-N -1 0 351.431 -0.183 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)C(=O)OC(C)(C)C ZINC000847995493 661255873 /nfs/dbraw/zinc/25/58/73/661255873.db2.gz FMUATUNXYAMOOX-UHFFFAOYSA-N -1 0 362.364 -0.555 20 0 FBADRM C[C@@H](OC[C@@H]1CCCCO1)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847995568 661255856 /nfs/dbraw/zinc/25/58/56/661255856.db2.gz GSSONWBZHZEKQR-BDAKNGLRSA-N -1 0 361.376 -0.447 20 0 FBADRM C[C@H](OC[C@H]1CCCCO1)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847995569 661255866 /nfs/dbraw/zinc/25/58/66/661255866.db2.gz GSSONWBZHZEKQR-DTWKUNHWSA-N -1 0 361.376 -0.447 20 0 FBADRM C[C@H](OC[C@@H]1CCCCO1)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847995570 661255874 /nfs/dbraw/zinc/25/58/74/661255874.db2.gz GSSONWBZHZEKQR-IUCAKERBSA-N -1 0 361.376 -0.447 20 0 FBADRM C[C@@H](OC[C@H]1CCCCO1)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847995571 661255851 /nfs/dbraw/zinc/25/58/51/661255851.db2.gz GSSONWBZHZEKQR-RKDXNWHRSA-N -1 0 361.376 -0.447 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)c(C)c1Cl ZINC000847995723 661255855 /nfs/dbraw/zinc/25/58/55/661255855.db2.gz HNKLMCYCAZCMMH-UHFFFAOYSA-N -1 0 361.767 -0.255 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)CN2CCCCCCC2=O)on1 ZINC000847995819 661255850 /nfs/dbraw/zinc/25/58/50/661255850.db2.gz JQORSJYQPTZEEC-UHFFFAOYSA-N -1 0 358.376 -0.629 20 0 FBADRM COC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)C1 ZINC000847996005 661255865 /nfs/dbraw/zinc/25/58/65/661255865.db2.gz ITAFNGNJUDRVIV-HTQZYQBOSA-N -1 0 359.360 -0.442 20 0 FBADRM COC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)C1 ZINC000847996017 661255852 /nfs/dbraw/zinc/25/58/52/661255852.db2.gz ITAFNGNJUDRVIV-JGVFFNPUSA-N -1 0 359.360 -0.442 20 0 FBADRM COC(=O)[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)C1 ZINC000847996020 661255860 /nfs/dbraw/zinc/25/58/60/661255860.db2.gz ITAFNGNJUDRVIV-SFYZADRCSA-N -1 0 359.360 -0.442 20 0 FBADRM COC(=O)[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)C1 ZINC000847996024 661255868 /nfs/dbraw/zinc/25/58/68/661255868.db2.gz ITAFNGNJUDRVIV-YUMQZZPRSA-N -1 0 359.360 -0.442 20 0 FBADRM CCC(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996064 661255793 /nfs/dbraw/zinc/25/57/93/661255793.db2.gz JFAANQNNGIMJGM-SECBINFHSA-N -1 0 358.376 -0.631 20 0 FBADRM CCC(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996065 661256078 /nfs/dbraw/zinc/25/60/78/661256078.db2.gz JFAANQNNGIMJGM-VIFPVBQESA-N -1 0 358.376 -0.631 20 0 FBADRM C[C@H](CC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)NC(=O)C1CCCC1 ZINC000847996236 661256017 /nfs/dbraw/zinc/25/60/17/661256017.db2.gz JQWWNSAGGPBECU-MRVPVSSYSA-N -1 0 372.403 -0.337 20 0 FBADRM Cn1nc(C(C)(C)C)cc1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996244 661256130 /nfs/dbraw/zinc/25/61/30/661256130.db2.gz MBWSDZFKGWBXBS-UHFFFAOYSA-N -1 0 355.376 -0.077 20 0 FBADRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)NC(=O)C1CCCC1 ZINC000847996246 661255943 /nfs/dbraw/zinc/25/59/43/661255943.db2.gz JQWWNSAGGPBECU-QMMMGPOBSA-N -1 0 372.403 -0.337 20 0 FBADRM CC(C)C(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996252 661256004 /nfs/dbraw/zinc/25/60/04/661256004.db2.gz JQZSURRBCZJXPB-JTQLQIEISA-N -1 0 372.403 -0.385 20 0 FBADRM CC(C)C(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996256 661256034 /nfs/dbraw/zinc/25/60/34/661256034.db2.gz JQZSURRBCZJXPB-SNVBAGLBSA-N -1 0 372.403 -0.385 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)CSC[C@H]2CCCCO2)on1 ZINC000847996357 661256115 /nfs/dbraw/zinc/25/61/15/661256115.db2.gz KLXMRWDJTXAQCE-MRVPVSSYSA-N -1 0 363.417 -0.119 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)CSC[C@@H]2CCCCO2)on1 ZINC000847996358 661255993 /nfs/dbraw/zinc/25/59/93/661255993.db2.gz KLXMRWDJTXAQCE-QMMMGPOBSA-N -1 0 363.417 -0.119 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)CNC(=O)CCC2CCCC2)on1 ZINC000847996423 661256012 /nfs/dbraw/zinc/25/60/12/661256012.db2.gz LRCJSPTZLDGAEO-UHFFFAOYSA-N -1 0 372.403 -0.335 20 0 FBADRM CCc1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996472 661255958 /nfs/dbraw/zinc/25/59/58/661255958.db2.gz MOYAXAPACVWWPN-UHFFFAOYSA-N -1 0 361.767 -0.159 20 0 FBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)C1CCCC1 ZINC000847996573 661256057 /nfs/dbraw/zinc/25/60/57/661256057.db2.gz PMWMCESJJNBCSD-LLVKDONJSA-N -1 0 358.376 -0.727 20 0 FBADRM CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)C1CCCC1 ZINC000847996574 661256102 /nfs/dbraw/zinc/25/61/02/661256102.db2.gz PMWMCESJJNBCSD-NSHDSACASA-N -1 0 358.376 -0.727 20 0 FBADRM CC(C)(C)OC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)C1 ZINC000847996620 661255962 /nfs/dbraw/zinc/25/59/62/661255962.db2.gz NSRPQZGHOKWUTG-UHFFFAOYSA-N -1 0 374.375 -0.555 20 0 FBADRM CC(C)CCn1cc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)nn1 ZINC000847996622 661256127 /nfs/dbraw/zinc/25/61/27/661256127.db2.gz NTPOJWODBLVETI-UHFFFAOYSA-N -1 0 356.364 -0.470 20 0 FBADRM C[C@@]12CCC(=O)N1[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)CS2 ZINC000847996662 661255999 /nfs/dbraw/zinc/25/59/99/661255999.db2.gz QGDBYTNJLMBRRT-JMCQJSRRSA-N -1 0 374.400 -0.968 20 0 FBADRM C[C@@]12CCC(=O)N1[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)CS2 ZINC000847996663 661256061 /nfs/dbraw/zinc/25/60/61/661256061.db2.gz QGDBYTNJLMBRRT-JVXZTZIISA-N -1 0 374.400 -0.968 20 0 FBADRM C[C@]12CCC(=O)N1[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)CS2 ZINC000847996664 661256093 /nfs/dbraw/zinc/25/60/93/661256093.db2.gz QGDBYTNJLMBRRT-KRTXAFLBSA-N -1 0 374.400 -0.968 20 0 FBADRM C[C@]12CCC(=O)N1[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)CS2 ZINC000847996665 661255974 /nfs/dbraw/zinc/25/59/74/661255974.db2.gz QGDBYTNJLMBRRT-MADCSZMMSA-N -1 0 374.400 -0.968 20 0 FBADRM C[C@@H](NC(=O)C1CCCCC1)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996706 661255952 /nfs/dbraw/zinc/25/59/52/661255952.db2.gz RCCXJCJSDSAPSQ-MRVPVSSYSA-N -1 0 372.403 -0.337 20 0 FBADRM C[C@H](NC(=O)C1CCCCC1)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996709 661256105 /nfs/dbraw/zinc/25/61/05/661256105.db2.gz RCCXJCJSDSAPSQ-QMMMGPOBSA-N -1 0 372.403 -0.337 20 0 FBADRM CCCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996806 661256121 /nfs/dbraw/zinc/25/61/21/661256121.db2.gz SGSKWSCWFSBYMZ-SECBINFHSA-N -1 0 358.376 -0.631 20 0 FBADRM CCCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847996807 661256039 /nfs/dbraw/zinc/25/60/39/661256039.db2.gz SGSKWSCWFSBYMZ-VIFPVBQESA-N -1 0 358.376 -0.631 20 0 FBADRM CC(C)(C)N1C[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)CC1=O ZINC000847996971 661256124 /nfs/dbraw/zinc/25/61/24/661256124.db2.gz USTSTSLMRQXPPQ-SSDOTTSWSA-N -1 0 358.376 -0.775 20 0 FBADRM CC(C)(C)N1C[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)CC1=O ZINC000847996973 661255965 /nfs/dbraw/zinc/25/59/65/661255965.db2.gz USTSTSLMRQXPPQ-ZETCQYMHSA-N -1 0 358.376 -0.775 20 0 FBADRM CC(C)CN1C[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)CC1=O ZINC000847997151 661256027 /nfs/dbraw/zinc/25/60/27/661256027.db2.gz XEDCNWFLOBALRX-MRVPVSSYSA-N -1 0 358.376 -0.917 20 0 FBADRM CC(C)CN1C[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)CC1=O ZINC000847997152 661256045 /nfs/dbraw/zinc/25/60/45/661256045.db2.gz XEDCNWFLOBALRX-QMMMGPOBSA-N -1 0 358.376 -0.917 20 0 FBADRM CCCC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)C1 ZINC000847997180 661255950 /nfs/dbraw/zinc/25/59/50/661255950.db2.gz XPIAAZFRSBNDQP-SECBINFHSA-N -1 0 372.403 -0.383 20 0 FBADRM CCCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)C1 ZINC000847997185 661256108 /nfs/dbraw/zinc/25/61/08/661256108.db2.gz XPIAAZFRSBNDQP-VIFPVBQESA-N -1 0 372.403 -0.383 20 0 FBADRM CCOC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)C1 ZINC000847997225 661256021 /nfs/dbraw/zinc/25/60/21/661256021.db2.gz YUUODOOQACCILW-MRVPVSSYSA-N -1 0 374.375 -0.553 20 0 FBADRM CCOC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)C1 ZINC000847997226 661256049 /nfs/dbraw/zinc/25/60/49/661256049.db2.gz YUUODOOQACCILW-QMMMGPOBSA-N -1 0 374.375 -0.553 20 0 FBADRM CCc1noc(CC)c1CC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847997318 661256112 /nfs/dbraw/zinc/25/61/12/661256112.db2.gz PYEJEDHHXFHISL-UHFFFAOYSA-N -1 0 356.360 -0.066 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)CCNC(=O)C2CCCCC2)on1 ZINC000847997606 661256007 /nfs/dbraw/zinc/25/60/07/661256007.db2.gz VEQSUUVIOTURAW-UHFFFAOYSA-N -1 0 372.403 -0.335 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)c(C(C)(C)C)n1 ZINC000847997735 661256096 /nfs/dbraw/zinc/25/60/96/661256096.db2.gz XUQWZOINDQJLLP-UHFFFAOYSA-N -1 0 355.376 -0.077 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)c2ccc(N3CCCC3)nn2)on1 ZINC000847997777 661256066 /nfs/dbraw/zinc/25/60/66/661256066.db2.gz ZOZBYCVBNSTKNT-UHFFFAOYSA-N -1 0 366.359 -0.718 20 0 FBADRM COCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)s1 ZINC000847997787 661256099 /nfs/dbraw/zinc/25/60/99/661256099.db2.gz ZYAXOYIWLOQBEN-UHFFFAOYSA-N -1 0 360.373 -0.196 20 0 FBADRM CC(C)(C)c1ncc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)cn1 ZINC000847997809 661255953 /nfs/dbraw/zinc/25/59/53/661255953.db2.gz ASLSLCCUCHVIBV-UHFFFAOYSA-N -1 0 353.360 -0.020 20 0 FBADRM CC(C)(C)N1CC[C@](F)(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)C1 ZINC000847997810 661255980 /nfs/dbraw/zinc/25/59/80/661255980.db2.gz ASVXMUGQCAIFMW-CYBMUJFWSA-N -1 0 362.383 -0.209 20 0 FBADRM CC(C)(C)N1CC[C@@](F)(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)C1 ZINC000847997811 661256083 /nfs/dbraw/zinc/25/60/83/661256083.db2.gz ASVXMUGQCAIFMW-ZDUSSCGKSA-N -1 0 362.383 -0.209 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)c2cnc(OCC3CC3)cn2)on1 ZINC000847997827 661256118 /nfs/dbraw/zinc/25/61/18/661256118.db2.gz BLLPPODTRAILFE-UHFFFAOYSA-N -1 0 367.343 -0.529 20 0 FBADRM Cn1nc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)c2c1CCCC2 ZINC000847997836 661256031 /nfs/dbraw/zinc/25/60/31/661256031.db2.gz BUNMZXOMKYIBGY-UHFFFAOYSA-N -1 0 353.360 -0.496 20 0 FBADRM CC(C)(C)OC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847997856 661256374 /nfs/dbraw/zinc/25/63/74/661256374.db2.gz CIPJCVMDQNIDFN-UHFFFAOYSA-N -1 0 361.376 -0.054 20 0 FBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)CCCC1 ZINC000847997858 661256367 /nfs/dbraw/zinc/25/63/67/661256367.db2.gz CPRMKHAVGUMXRS-UHFFFAOYSA-N -1 0 359.360 -0.298 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2CC(F)(F)F)on1 ZINC000847997861 661256213 /nfs/dbraw/zinc/25/62/13/661256213.db2.gz CVXIHFUNHXLKHQ-SSDOTTSWSA-N -1 0 370.309 -0.395 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2CC(F)(F)F)on1 ZINC000847997862 661256303 /nfs/dbraw/zinc/25/63/03/661256303.db2.gz CVXIHFUNHXLKHQ-ZETCQYMHSA-N -1 0 370.309 -0.395 20 0 FBADRM CC(=O)N[C@H](CC1CCC1)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847997877 661256391 /nfs/dbraw/zinc/25/63/91/661256391.db2.gz DNHYILSEFOAFKJ-SNVBAGLBSA-N -1 0 358.376 -0.727 20 0 FBADRM C[C@@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)c3cc(C(N)=O)no3)c2C1 ZINC000847997886 661256298 /nfs/dbraw/zinc/25/62/98/661256298.db2.gz DZMJNELLRSROKM-SSDOTTSWSA-N -1 0 353.360 -0.329 20 0 FBADRM C[C@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)c3cc(C(N)=O)no3)c2C1 ZINC000847997887 661256395 /nfs/dbraw/zinc/25/63/95/661256395.db2.gz DZMJNELLRSROKM-ZETCQYMHSA-N -1 0 353.360 -0.329 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)c2n[nH]c3c2CCCCC3)on1 ZINC000847997916 661256290 /nfs/dbraw/zinc/25/62/90/661256290.db2.gz FUABMESJBUGEAC-UHFFFAOYSA-N -1 0 353.360 -0.116 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)C(F)(F)C2CCOCC2)on1 ZINC000847997966 661256215 /nfs/dbraw/zinc/25/62/15/661256215.db2.gz GSWIVMOGINGFTL-UHFFFAOYSA-N -1 0 353.303 -0.360 20 0 FBADRM COC(=O)C12CCC(C(=O)[N-]S(=O)(=O)c3cc(C(N)=O)no3)(CC1)C2 ZINC000847997999 661256393 /nfs/dbraw/zinc/25/63/93/661256393.db2.gz HWOHGYPFYQHMOR-UHFFFAOYSA-N -1 0 371.371 -0.298 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)CC2CCC3(CC2)OCCO3)on1 ZINC000847998001 661256370 /nfs/dbraw/zinc/25/63/70/661256370.db2.gz HZUKNBUDSBPLEZ-UHFFFAOYSA-N -1 0 373.387 -0.098 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2c2nccs2)on1 ZINC000847998017 661256340 /nfs/dbraw/zinc/25/63/40/661256340.db2.gz IPOLQYITQNXORB-MRVPVSSYSA-N -1 0 371.400 -0.296 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2c2nccs2)on1 ZINC000847998018 661256353 /nfs/dbraw/zinc/25/63/53/661256353.db2.gz IPOLQYITQNXORB-QMMMGPOBSA-N -1 0 371.400 -0.296 20 0 FBADRM C[C@@H]1CCCc2ncc(C(=O)[N-]S(=O)(=O)c3cc(C(N)=O)no3)n21 ZINC000847998037 661256382 /nfs/dbraw/zinc/25/63/82/661256382.db2.gz JTMCWAZGARTBNM-SSDOTTSWSA-N -1 0 353.360 -0.014 20 0 FBADRM C[C@H]1CCCc2ncc(C(=O)[N-]S(=O)(=O)c3cc(C(N)=O)no3)n21 ZINC000847998038 661256219 /nfs/dbraw/zinc/25/62/19/661256219.db2.gz JTMCWAZGARTBNM-ZETCQYMHSA-N -1 0 353.360 -0.014 20 0 FBADRM CC(C)CN1N=C(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)CCC1=O ZINC000847998078 661256376 /nfs/dbraw/zinc/25/63/76/661256376.db2.gz KVUNILKQQZDUQX-UHFFFAOYSA-N -1 0 371.375 -0.787 20 0 FBADRM CCc1nn(C)c(CC)c1CC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847998135 661256231 /nfs/dbraw/zinc/25/62/31/661256231.db2.gz MHVQFZXSNIUQLM-UHFFFAOYSA-N -1 0 369.403 -0.321 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)nn2c1OCCC2 ZINC000847998142 661256250 /nfs/dbraw/zinc/25/62/50/661256250.db2.gz MYCVKHRNRGIPRZ-UHFFFAOYSA-N -1 0 355.332 -0.820 20 0 FBADRM C[C@@H](NC(=O)CC(C)(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847998176 661256346 /nfs/dbraw/zinc/25/63/46/661256346.db2.gz NZYZLJLYCIEDRP-SSDOTTSWSA-N -1 0 360.392 -0.481 20 0 FBADRM C[C@H](NC(=O)CC(C)(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847998177 661256284 /nfs/dbraw/zinc/25/62/84/661256284.db2.gz NZYZLJLYCIEDRP-ZETCQYMHSA-N -1 0 360.392 -0.481 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847998348 661256344 /nfs/dbraw/zinc/25/63/44/661256344.db2.gz SWISYYJFUDNHAQ-MRVPVSSYSA-N -1 0 374.375 -0.412 20 0 FBADRM CCOC(=O)C1(CC(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)CCC1 ZINC000847998433 661256308 /nfs/dbraw/zinc/25/63/08/661256308.db2.gz WEFYOSGOPBSBRV-UHFFFAOYSA-N -1 0 359.360 -0.298 20 0 FBADRM CC(C)(COCC(F)F)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000847998455 661256357 /nfs/dbraw/zinc/25/63/57/661256357.db2.gz WQRYKJPFWURELI-UHFFFAOYSA-N -1 0 355.319 -0.114 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(CC(F)(F)F)C2)on1 ZINC000847998464 661256392 /nfs/dbraw/zinc/25/63/92/661256392.db2.gz WZFMUNLINRAFCQ-LURJTMIESA-N -1 0 370.309 -0.537 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(CC(F)(F)F)C2)on1 ZINC000847998465 661256315 /nfs/dbraw/zinc/25/63/15/661256315.db2.gz WZFMUNLINRAFCQ-ZCFIWIBFSA-N -1 0 370.309 -0.537 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)c2ccc(N3CCCC3)nc2)on1 ZINC000847998479 661256350 /nfs/dbraw/zinc/25/63/50/661256350.db2.gz XGSDDDQEROPBBP-UHFFFAOYSA-N -1 0 365.371 -0.113 20 0 FBADRM CC(=O)NC[C@H](CC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)CC(C)C ZINC000847998485 661256278 /nfs/dbraw/zinc/25/62/78/661256278.db2.gz XKLXMNDREVDHQB-JTQLQIEISA-N -1 0 374.419 -0.233 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)c(C2CCC2)n1 ZINC000847998500 661256379 /nfs/dbraw/zinc/25/63/79/661256379.db2.gz YPXDGXAATNJUDF-UHFFFAOYSA-N -1 0 353.360 -0.107 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)N(C)CC(F)(F)F ZINC000847998558 661256355 /nfs/dbraw/zinc/25/63/55/661256355.db2.gz ZXKOZHVJPYBMGU-RXMQYKEDSA-N -1 0 358.298 -0.539 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)N(C)CC(F)(F)F ZINC000847998559 661256268 /nfs/dbraw/zinc/25/62/68/661256268.db2.gz ZXKOZHVJPYBMGU-YFKPBYRVSA-N -1 0 358.298 -0.539 20 0 FBADRM COCCN(C[C@@H](O)C(F)(F)F)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000848262461 661260936 /nfs/dbraw/zinc/26/09/36/661260936.db2.gz YOVXOZQPGGJZFZ-SECBINFHSA-N -1 0 363.296 -0.531 20 0 FBADRM COCCN(C[C@H](O)C(F)(F)F)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000848262466 661260872 /nfs/dbraw/zinc/26/08/72/661260872.db2.gz YOVXOZQPGGJZFZ-VIFPVBQESA-N -1 0 363.296 -0.531 20 0 FBADRM NC(=O)[C@]1(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)CCOC1 ZINC000848320397 661261727 /nfs/dbraw/zinc/26/17/27/661261727.db2.gz TZYJMXCJHGMIPK-INIZCTEOSA-N -1 0 362.411 -0.164 20 0 FBADRM NC(=O)[C@@]1(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)CCOC1 ZINC000848320398 661262004 /nfs/dbraw/zinc/26/20/04/661262004.db2.gz TZYJMXCJHGMIPK-MRXNPFEDSA-N -1 0 362.411 -0.164 20 0 FBADRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000848338056 661262168 /nfs/dbraw/zinc/26/21/68/661262168.db2.gz KJTKEQJBIGIWEP-HTQZYQBOSA-N -1 0 362.312 -0.565 20 0 FBADRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000848338075 661262181 /nfs/dbraw/zinc/26/21/81/661262181.db2.gz KUEOMVGJUJTCSN-HLTSFMKQSA-N -1 0 357.354 -0.264 20 0 FBADRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000848338076 661262233 /nfs/dbraw/zinc/26/22/33/661262233.db2.gz KUEOMVGJUJTCSN-IWSPIJDZSA-N -1 0 357.354 -0.264 20 0 FBADRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000848340673 661262174 /nfs/dbraw/zinc/26/21/74/661262174.db2.gz OGOIEMFKFSXMJX-HTQZYQBOSA-N -1 0 362.312 -0.565 20 0 FBADRM COC(=O)c1cc(C)c(F)c(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000848448964 661262730 /nfs/dbraw/zinc/26/27/30/661262730.db2.gz ZWPBGTILYYTUJV-UHFFFAOYSA-N -1 0 362.335 -0.600 20 0 FBADRM CC(C)[C@@H](CNC(=O)NCCS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000848578172 661263739 /nfs/dbraw/zinc/26/37/39/661263739.db2.gz VNCRQLNTJSRZHE-LLVKDONJSA-N -1 0 351.425 -0.696 20 0 FBADRM CC(C)[C@H](CNC(=O)NCCS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000848578173 661263658 /nfs/dbraw/zinc/26/36/58/661263658.db2.gz VNCRQLNTJSRZHE-NSHDSACASA-N -1 0 351.425 -0.696 20 0 FBADRM CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000848584361 661263981 /nfs/dbraw/zinc/26/39/81/661263981.db2.gz WBAIWEJWOZSQFK-JTQLQIEISA-N -1 0 364.420 -0.141 20 0 FBADRM CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000848584362 661264005 /nfs/dbraw/zinc/26/40/05/661264005.db2.gz WBAIWEJWOZSQFK-SNVBAGLBSA-N -1 0 364.420 -0.141 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000848585878 661263972 /nfs/dbraw/zinc/26/39/72/661263972.db2.gz FFKQCEVIJVTZTM-LLVKDONJSA-N -1 0 350.441 -0.379 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000848585881 661264003 /nfs/dbraw/zinc/26/40/03/661264003.db2.gz FFKQCEVIJVTZTM-NSHDSACASA-N -1 0 350.441 -0.379 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccccc1)C(=O)[O-] ZINC000848606933 661263923 /nfs/dbraw/zinc/26/39/23/661263923.db2.gz MQMANSZYMLHNLF-LLVKDONJSA-N -1 0 371.415 -0.941 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccccc1)C(=O)[O-] ZINC000848606934 661263946 /nfs/dbraw/zinc/26/39/46/661263946.db2.gz MQMANSZYMLHNLF-NSHDSACASA-N -1 0 371.415 -0.941 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000848607178 661263916 /nfs/dbraw/zinc/26/39/16/661263916.db2.gz SPVTYRXJHGCOLI-JTQLQIEISA-N -1 0 363.436 -0.856 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC000848607179 661263979 /nfs/dbraw/zinc/26/39/79/661263979.db2.gz SPVTYRXJHGCOLI-SNVBAGLBSA-N -1 0 363.436 -0.856 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCc1cccc(NS(C)(=O)=O)c1)C(=O)[O-] ZINC000848607221 661263967 /nfs/dbraw/zinc/26/39/67/661263967.db2.gz USYBFBAORZMEPF-SECBINFHSA-N -1 0 357.388 -0.489 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCc1cccc(NS(C)(=O)=O)c1)C(=O)[O-] ZINC000848607222 661263988 /nfs/dbraw/zinc/26/39/88/661263988.db2.gz USYBFBAORZMEPF-VIFPVBQESA-N -1 0 357.388 -0.489 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)C(=O)[O-] ZINC000848607647 661263973 /nfs/dbraw/zinc/26/39/73/661263973.db2.gz FYODVHAKGLGIJD-JTQLQIEISA-N -1 0 350.437 -0.211 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)C(=O)[O-] ZINC000848607648 661263953 /nfs/dbraw/zinc/26/39/53/661263953.db2.gz FYODVHAKGLGIJD-SNVBAGLBSA-N -1 0 350.437 -0.211 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1)C(=O)[O-] ZINC000848608334 661263977 /nfs/dbraw/zinc/26/39/77/661263977.db2.gz DRVMFCYGOJPCQS-GRYCIOLGSA-N -1 0 354.359 -0.233 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1)C(=O)[O-] ZINC000848608335 661263948 /nfs/dbraw/zinc/26/39/48/661263948.db2.gz DRVMFCYGOJPCQS-IJLUTSLNSA-N -1 0 354.359 -0.233 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1)C(=O)[O-] ZINC000848608336 661263963 /nfs/dbraw/zinc/26/39/63/661263963.db2.gz DRVMFCYGOJPCQS-UTUOFQBUSA-N -1 0 354.359 -0.233 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1)C(=O)[O-] ZINC000848608337 661264001 /nfs/dbraw/zinc/26/40/01/661264001.db2.gz DRVMFCYGOJPCQS-WOPDTQHZSA-N -1 0 354.359 -0.233 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N(CCS(C)(=O)=O)C(C)C)C(=O)[O-] ZINC000848608696 661263919 /nfs/dbraw/zinc/26/39/19/661263919.db2.gz GIKTYBDHPFZKGG-LLVKDONJSA-N -1 0 350.437 -0.259 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N(CCS(C)(=O)=O)C(C)C)C(=O)[O-] ZINC000848608701 661263957 /nfs/dbraw/zinc/26/39/57/661263957.db2.gz GIKTYBDHPFZKGG-NSHDSACASA-N -1 0 350.437 -0.259 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1cnn(C)c1)C(=O)[O-] ZINC000848608773 661263978 /nfs/dbraw/zinc/26/39/78/661263978.db2.gz HMGAHLGPOWXUML-KGYLQXTDSA-N -1 0 352.391 -0.329 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1)C(=O)[O-] ZINC000848608785 661263950 /nfs/dbraw/zinc/26/39/50/661263950.db2.gz HMGAHLGPOWXUML-RAIGVLPGSA-N -1 0 352.391 -0.329 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1cnn(C)c1)C(=O)[O-] ZINC000848608786 661263965 /nfs/dbraw/zinc/26/39/65/661263965.db2.gz HMGAHLGPOWXUML-RTXFEEFZSA-N -1 0 352.391 -0.329 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@H]1C[C@H](O)c1cnn(C)c1)C(=O)[O-] ZINC000848608788 661263902 /nfs/dbraw/zinc/26/39/02/661263902.db2.gz HMGAHLGPOWXUML-WXHSDQCUSA-N -1 0 352.391 -0.329 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCC(C)(C)[C@H]1COCC12OCCO2)C(=O)[O-] ZINC000848609050 661264000 /nfs/dbraw/zinc/26/40/00/661264000.db2.gz CQQQBZRKDAJOGL-GHMZBOCLSA-N -1 0 358.391 -0.645 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCC(C)(C)[C@@H]1COCC12OCCO2)C(=O)[O-] ZINC000848609051 661263958 /nfs/dbraw/zinc/26/39/58/661263958.db2.gz CQQQBZRKDAJOGL-MNOVXSKESA-N -1 0 358.391 -0.645 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCC(C)(C)[C@@H]1COCC12OCCO2)C(=O)[O-] ZINC000848609052 661263935 /nfs/dbraw/zinc/26/39/35/661263935.db2.gz CQQQBZRKDAJOGL-QWRGUYRKSA-N -1 0 358.391 -0.645 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCC(C)(C)[C@H]1COCC12OCCO2)C(=O)[O-] ZINC000848609053 661264247 /nfs/dbraw/zinc/26/42/47/661264247.db2.gz CQQQBZRKDAJOGL-WDEREUQCSA-N -1 0 358.391 -0.645 20 0 FBADRM C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C(=O)NCCC(=O)[O-] ZINC000848609094 661264136 /nfs/dbraw/zinc/26/41/36/661264136.db2.gz DEJHWVXYADHLMU-HTQZYQBOSA-N -1 0 353.297 -0.365 20 0 FBADRM CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848609154 661264250 /nfs/dbraw/zinc/26/42/50/661264250.db2.gz YCBGJIMRFJZQEI-GARJFASQSA-N -1 0 362.448 -0.211 20 0 FBADRM CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848609157 661264206 /nfs/dbraw/zinc/26/42/06/661264206.db2.gz YCBGJIMRFJZQEI-OUAUKWLOSA-N -1 0 362.448 -0.211 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCCS(=O)(=O)Cc1ccccc1)C(=O)[O-] ZINC000848609307 661264189 /nfs/dbraw/zinc/26/41/89/661264189.db2.gz ZZGKLLJUMBUQPL-LLVKDONJSA-N -1 0 356.400 -0.446 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)Cc1ccccc1)C(=O)[O-] ZINC000848609317 661264126 /nfs/dbraw/zinc/26/41/26/661264126.db2.gz ZZGKLLJUMBUQPL-NSHDSACASA-N -1 0 356.400 -0.446 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C)C(=O)[O-] ZINC000848609708 661264150 /nfs/dbraw/zinc/26/41/50/661264150.db2.gz IUILKABDTUBAQF-DJLDLDEBSA-N -1 0 367.324 -0.119 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C)C(=O)[O-] ZINC000848609747 661264142 /nfs/dbraw/zinc/26/41/42/661264142.db2.gz IUILKABDTUBAQF-IWSPIJDZSA-N -1 0 367.324 -0.119 20 0 FBADRM COC(=O)N1CC(NC(=O)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC000848609763 661264203 /nfs/dbraw/zinc/26/42/03/661264203.db2.gz HGLSPLDZCHNUPM-DVVUODLYSA-N -1 0 355.391 -0.195 20 0 FBADRM COC(=O)N1CC(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC000848609780 661264210 /nfs/dbraw/zinc/26/42/10/661264210.db2.gz HGLSPLDZCHNUPM-INTQDDNPSA-N -1 0 355.391 -0.195 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCN(C2=NCC(C)(C)S2)CC1)C(=O)[O-] ZINC000848609783 661264257 /nfs/dbraw/zinc/26/42/57/661264257.db2.gz OUFAQRPBIPTLLO-JTQLQIEISA-N -1 0 356.448 -0.151 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCN(C2=NCC(C)(C)S2)CC1)C(=O)[O-] ZINC000848609793 661264228 /nfs/dbraw/zinc/26/42/28/661264228.db2.gz OUFAQRPBIPTLLO-SNVBAGLBSA-N -1 0 356.448 -0.151 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848610362 661264174 /nfs/dbraw/zinc/26/41/74/661264174.db2.gz MIUUDVLXGZTVJG-APNQJHFZSA-N -1 0 355.435 -0.077 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848610365 661264162 /nfs/dbraw/zinc/26/41/62/661264162.db2.gz MIUUDVLXGZTVJG-FJZAXULXSA-N -1 0 355.435 -0.077 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848610367 661264218 /nfs/dbraw/zinc/26/42/18/661264218.db2.gz MIUUDVLXGZTVJG-JRATXPSKSA-N -1 0 355.435 -0.077 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848610369 661264233 /nfs/dbraw/zinc/26/42/33/661264233.db2.gz MIUUDVLXGZTVJG-KOFHJDLBSA-N -1 0 355.435 -0.077 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1)C(=O)[O-] ZINC000848610777 661264108 /nfs/dbraw/zinc/26/41/08/661264108.db2.gz QHPKJTDRQHZFKO-CMPLNLGQSA-N -1 0 355.391 -0.051 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1)C(=O)[O-] ZINC000848610779 661264171 /nfs/dbraw/zinc/26/41/71/661264171.db2.gz QHPKJTDRQHZFKO-JQWIXIFHSA-N -1 0 355.391 -0.051 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1)C(=O)[O-] ZINC000848610782 661264259 /nfs/dbraw/zinc/26/42/59/661264259.db2.gz QHPKJTDRQHZFKO-PWSUYJOCSA-N -1 0 355.391 -0.051 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1)C(=O)[O-] ZINC000848610784 661264186 /nfs/dbraw/zinc/26/41/86/661264186.db2.gz QHPKJTDRQHZFKO-ZYHUDNBSSA-N -1 0 355.391 -0.051 20 0 FBADRM C[C@@H](NC(=O)C(=O)NCCS(=O)(=O)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848610799 661264106 /nfs/dbraw/zinc/26/41/06/661264106.db2.gz NEIRLEDXJFKXFV-ADEWGFFLSA-N -1 0 374.459 -0.069 20 0 FBADRM C[C@H](NC(=O)C(=O)NCCS(=O)(=O)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848610800 661264240 /nfs/dbraw/zinc/26/42/40/661264240.db2.gz NEIRLEDXJFKXFV-ZMLRMANQSA-N -1 0 374.459 -0.069 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CC(=O)N(C)C[C@@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848610864 661264254 /nfs/dbraw/zinc/26/42/54/661264254.db2.gz AZVIXYMMNQYGDZ-FIQHERPVSA-N -1 0 353.419 -0.073 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CC(=O)N(C)C[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848610866 661264121 /nfs/dbraw/zinc/26/41/21/661264121.db2.gz AZVIXYMMNQYGDZ-NOOOWODRSA-N -1 0 353.419 -0.073 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CC(=O)N(C)C[C@@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848610868 661264168 /nfs/dbraw/zinc/26/41/68/661264168.db2.gz AZVIXYMMNQYGDZ-WHOHXGKFSA-N -1 0 353.419 -0.073 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CC(=O)N(C)C[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848610871 661264158 /nfs/dbraw/zinc/26/41/58/661264158.db2.gz AZVIXYMMNQYGDZ-WISYIIOYSA-N -1 0 353.419 -0.073 20 0 FBADRM C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)[O-] ZINC000848611131 661264230 /nfs/dbraw/zinc/26/42/30/661264230.db2.gz ZJRPDYLFXIYVHK-HTQZYQBOSA-N -1 0 353.297 -0.555 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)[O-] ZINC000848611133 661264134 /nfs/dbraw/zinc/26/41/34/661264134.db2.gz ZJRPDYLFXIYVHK-JGVFFNPUSA-N -1 0 353.297 -0.555 20 0 FBADRM C[C@H](CNC(=O)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)C(=O)[O-] ZINC000848611135 661264226 /nfs/dbraw/zinc/26/42/26/661264226.db2.gz ZJRPDYLFXIYVHK-SFYZADRCSA-N -1 0 353.297 -0.555 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)C(=O)[O-] ZINC000848611209 661264197 /nfs/dbraw/zinc/26/41/97/661264197.db2.gz ZJRPDYLFXIYVHK-YUMQZZPRSA-N -1 0 353.297 -0.555 20 0 FBADRM O=C([O-])C1CCC(NC(=O)C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000848611303 661264212 /nfs/dbraw/zinc/26/42/12/661264212.db2.gz PBEQJACASKQGJD-CBINBANVSA-N -1 0 353.375 -0.155 20 0 FBADRM O=C([O-])C1CCC(NC(=O)C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000848611308 661264096 /nfs/dbraw/zinc/26/40/96/661264096.db2.gz PBEQJACASKQGJD-RTYFJBAXSA-N -1 0 353.375 -0.155 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1)C(=O)[O-] ZINC000848611510 661264403 /nfs/dbraw/zinc/26/44/03/661264403.db2.gz WCSYLPXLSULYHR-MRVPVSSYSA-N -1 0 367.324 -0.260 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1)C(=O)[O-] ZINC000848611511 661264417 /nfs/dbraw/zinc/26/44/17/661264417.db2.gz WCSYLPXLSULYHR-QMMMGPOBSA-N -1 0 367.324 -0.260 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1)C(=O)[O-] ZINC000848611613 661264399 /nfs/dbraw/zinc/26/43/99/661264399.db2.gz QUCDCIZHGOKDJC-NEPJUHHUSA-N -1 0 358.391 -0.502 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1)C(=O)[O-] ZINC000848611614 661264390 /nfs/dbraw/zinc/26/43/90/661264390.db2.gz QUCDCIZHGOKDJC-NWDGAFQWSA-N -1 0 358.391 -0.502 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1)C(=O)[O-] ZINC000848611615 661264434 /nfs/dbraw/zinc/26/44/34/661264434.db2.gz QUCDCIZHGOKDJC-RYUDHWBXSA-N -1 0 358.391 -0.502 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1)C(=O)[O-] ZINC000848611616 661264451 /nfs/dbraw/zinc/26/44/51/661264451.db2.gz QUCDCIZHGOKDJC-VXGBXAGGSA-N -1 0 358.391 -0.502 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCCS(=O)(=O)CCc1ccccc1)C(=O)[O-] ZINC000848611709 661264415 /nfs/dbraw/zinc/26/44/15/661264415.db2.gz RYOIWHJHHZMVLC-GFCCVEGCSA-N -1 0 370.427 -0.403 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)CCc1ccccc1)C(=O)[O-] ZINC000848611711 661264453 /nfs/dbraw/zinc/26/44/53/661264453.db2.gz RYOIWHJHHZMVLC-LBPRGKRZSA-N -1 0 370.427 -0.403 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1)C(=O)[O-] ZINC000848611786 661264416 /nfs/dbraw/zinc/26/44/16/661264416.db2.gz XTYPWDQQRAALNZ-GRYCIOLGSA-N -1 0 352.391 -0.471 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1)C(=O)[O-] ZINC000848611787 661264400 /nfs/dbraw/zinc/26/44/00/661264400.db2.gz XTYPWDQQRAALNZ-IJLUTSLNSA-N -1 0 352.391 -0.471 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1)C(=O)[O-] ZINC000848611788 661264454 /nfs/dbraw/zinc/26/44/54/661264454.db2.gz XTYPWDQQRAALNZ-UTUOFQBUSA-N -1 0 352.391 -0.471 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1)C(=O)[O-] ZINC000848611789 661264414 /nfs/dbraw/zinc/26/44/14/661264414.db2.gz XTYPWDQQRAALNZ-WOPDTQHZSA-N -1 0 352.391 -0.471 20 0 FBADRM CCN1CC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1=O ZINC000848611901 661264413 /nfs/dbraw/zinc/26/44/13/661264413.db2.gz TUZFITMICZSUJU-KXNHARMFSA-N -1 0 353.419 -0.025 20 0 FBADRM CCN1CC[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1=O ZINC000848611902 661264377 /nfs/dbraw/zinc/26/43/77/661264377.db2.gz TUZFITMICZSUJU-NNYUYHANSA-N -1 0 353.419 -0.025 20 0 FBADRM CCN1CC[C@@H](NC(=O)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1=O ZINC000848611903 661264430 /nfs/dbraw/zinc/26/44/30/661264430.db2.gz TUZFITMICZSUJU-WRWGMCAJSA-N -1 0 353.419 -0.025 20 0 FBADRM CCN1CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1=O ZINC000848611904 661264422 /nfs/dbraw/zinc/26/44/22/661264422.db2.gz TUZFITMICZSUJU-YFKTTZPYSA-N -1 0 353.419 -0.025 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)NCc1nc(C(F)(F)F)n[nH]1)C(=O)[O-] ZINC000848612146 661264446 /nfs/dbraw/zinc/26/44/46/661264446.db2.gz WPRNLXSYMAPPNK-LURJTMIESA-N -1 0 351.285 -0.087 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)NCc1nc(C(F)(F)F)n[nH]1)C(=O)[O-] ZINC000848612147 661264411 /nfs/dbraw/zinc/26/44/11/661264411.db2.gz WPRNLXSYMAPPNK-ZCFIWIBFSA-N -1 0 351.285 -0.087 20 0 FBADRM C[C@H](NC(=O)C(=O)N(C)CCS(C)(=O)=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848612577 661264410 /nfs/dbraw/zinc/26/44/10/661264410.db2.gz RGPAINFUIYDLFM-GARJFASQSA-N -1 0 362.448 -0.259 20 0 FBADRM C[C@@H](NC(=O)C(=O)N(C)CCS(C)(=O)=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848612578 661264421 /nfs/dbraw/zinc/26/44/21/661264421.db2.gz RGPAINFUIYDLFM-OUAUKWLOSA-N -1 0 362.448 -0.259 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)C1 ZINC000848613321 661264435 /nfs/dbraw/zinc/26/44/35/661264435.db2.gz HCONGEQWGVJWNE-CMPLNLGQSA-N -1 0 353.375 -0.201 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)C1 ZINC000848613322 661264420 /nfs/dbraw/zinc/26/44/20/661264420.db2.gz HCONGEQWGVJWNE-JQWIXIFHSA-N -1 0 353.375 -0.201 20 0 FBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)C1 ZINC000848613323 661264401 /nfs/dbraw/zinc/26/44/01/661264401.db2.gz HCONGEQWGVJWNE-PWSUYJOCSA-N -1 0 353.375 -0.201 20 0 FBADRM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)C1 ZINC000848613324 661264382 /nfs/dbraw/zinc/26/43/82/661264382.db2.gz HCONGEQWGVJWNE-ZYHUDNBSSA-N -1 0 353.375 -0.201 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)C[C@H]1C(=O)[O-] ZINC000848613329 661264682 /nfs/dbraw/zinc/26/46/82/661264682.db2.gz HKWMXHGDFGSTJW-ADEWGFFLSA-N -1 0 353.375 -0.345 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)C[C@@H]1C(=O)[O-] ZINC000848613330 661264675 /nfs/dbraw/zinc/26/46/75/661264675.db2.gz HKWMXHGDFGSTJW-JLLWLGSASA-N -1 0 353.375 -0.345 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)C[C@@H]1C(=O)[O-] ZINC000848613331 661264554 /nfs/dbraw/zinc/26/45/54/661264554.db2.gz HKWMXHGDFGSTJW-USWWRNFRSA-N -1 0 353.375 -0.345 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)C[C@H]1C(=O)[O-] ZINC000848613332 661264613 /nfs/dbraw/zinc/26/46/13/661264613.db2.gz HKWMXHGDFGSTJW-YUSALJHKSA-N -1 0 353.375 -0.345 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)C1 ZINC000848614240 661264741 /nfs/dbraw/zinc/26/47/41/661264741.db2.gz TVVSOUFNFCDWES-CKYFFXLPSA-N -1 0 353.375 -0.345 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)C1 ZINC000848614241 661264591 /nfs/dbraw/zinc/26/45/91/661264591.db2.gz TVVSOUFNFCDWES-FOGDFJRCSA-N -1 0 353.375 -0.345 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)C1 ZINC000848614242 661264537 /nfs/dbraw/zinc/26/45/37/661264537.db2.gz TVVSOUFNFCDWES-JFGNBEQYSA-N -1 0 353.375 -0.345 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)C1 ZINC000848614243 661264684 /nfs/dbraw/zinc/26/46/84/661264684.db2.gz TVVSOUFNFCDWES-SCVCMEIPSA-N -1 0 353.375 -0.345 20 0 FBADRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(=O)NCC(F)(F)CN ZINC000848614355 661264603 /nfs/dbraw/zinc/26/46/03/661264603.db2.gz RPUPSZYCGIAJBM-HTQZYQBOSA-N -1 0 374.310 -0.245 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000848614812 661264662 /nfs/dbraw/zinc/26/46/62/661264662.db2.gz XWYJBNFEZNQZIT-LLVKDONJSA-N -1 0 353.375 -0.201 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000848614813 661264579 /nfs/dbraw/zinc/26/45/79/661264579.db2.gz XWYJBNFEZNQZIT-NSHDSACASA-N -1 0 353.375 -0.201 20 0 FBADRM C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C(=O)N(C)CCC(=O)[O-] ZINC000848637191 661264894 /nfs/dbraw/zinc/26/48/94/661264894.db2.gz LQCOUTMMGAKCSM-RKDXNWHRSA-N -1 0 367.324 -0.023 20 0 FBADRM COC(=O)c1cc(C)c(F)c(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1 ZINC000848676030 661265396 /nfs/dbraw/zinc/26/53/96/661265396.db2.gz LMSWJQRWRDPZBN-MRVPVSSYSA-N -1 0 362.335 -0.472 20 0 FBADRM COC(=O)c1cc(C)c(F)c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000848676031 661265553 /nfs/dbraw/zinc/26/55/53/661265553.db2.gz LMSWJQRWRDPZBN-QMMMGPOBSA-N -1 0 362.335 -0.472 20 0 FBADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])cn1C ZINC000848680319 661265560 /nfs/dbraw/zinc/26/55/60/661265560.db2.gz FBOBVADJIVDCDX-SECBINFHSA-N -1 0 364.351 -0.138 20 0 FBADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])cn1C ZINC000848680320 661265394 /nfs/dbraw/zinc/26/53/94/661265394.db2.gz FBOBVADJIVDCDX-VIFPVBQESA-N -1 0 364.351 -0.138 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)NCc2nocc2C(=O)[O-])CC1 ZINC000848681423 661265615 /nfs/dbraw/zinc/26/56/15/661265615.db2.gz CEOLOXHGIAGLDL-UHFFFAOYSA-N -1 0 362.364 -0.519 20 0 FBADRM Cc1nn(CC(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)c(=O)n1C ZINC000848845042 661266768 /nfs/dbraw/zinc/26/67/68/661266768.db2.gz NULGJHFUOAGFOG-UHFFFAOYSA-N -1 0 365.371 -0.544 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)CC1 ZINC000848876589 661267440 /nfs/dbraw/zinc/26/74/40/661267440.db2.gz MYLRSQJNGCCWBN-XJKSGUPXSA-N -1 0 374.459 -0.002 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000848878237 661267401 /nfs/dbraw/zinc/26/74/01/661267401.db2.gz XBURSIXBUHJCJP-UHFFFAOYSA-N -1 0 350.437 -0.002 20 0 FBADRM C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C(=O)N[C@H]1CCOC1 ZINC000848934264 661267426 /nfs/dbraw/zinc/26/74/26/661267426.db2.gz WCWOMUSJROBAFC-KXUCPTDWSA-N -1 0 351.325 -0.051 20 0 FBADRM C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C(=O)N[C@@H]1CCOC1 ZINC000848934265 661267379 /nfs/dbraw/zinc/26/73/79/661267379.db2.gz WCWOMUSJROBAFC-OPRDCNLKSA-N -1 0 351.325 -0.051 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)NCCO)cc1 ZINC000848942289 661267608 /nfs/dbraw/zinc/26/76/08/661267608.db2.gz GDBDDZMFIJQJGV-UHFFFAOYSA-N -1 0 362.389 -0.551 20 0 FBADRM CON(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ncn(C)n2)cc1 ZINC000848943171 661267951 /nfs/dbraw/zinc/26/79/51/661267951.db2.gz NQFSWKSBJKYUEP-UHFFFAOYSA-N -1 0 361.405 -0.202 20 0 FBADRM COc1cncc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)OC)n1 ZINC000848956569 661268159 /nfs/dbraw/zinc/26/81/59/661268159.db2.gz AGBBFRKHRYARJI-UHFFFAOYSA-N -1 0 354.410 -0.560 20 0 FBADRM C[C@@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1 ZINC000848956707 661268141 /nfs/dbraw/zinc/26/81/41/661268141.db2.gz AGNUVEXQPNBXCE-MRVPVSSYSA-N -1 0 358.467 -0.688 20 0 FBADRM CC1(CO)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)C1 ZINC000848956710 661268158 /nfs/dbraw/zinc/26/81/58/661268158.db2.gz AHHBMHXDJAYQAZ-UHFFFAOYSA-N -1 0 370.478 -0.686 20 0 FBADRM CON(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1noc(C2CC2)n1 ZINC000848956716 661268135 /nfs/dbraw/zinc/26/81/35/661268135.db2.gz CUOJCOZIJCTDCM-UHFFFAOYSA-N -1 0 354.410 -0.098 20 0 FBADRM COc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)OC)nc1 ZINC000848956961 661268138 /nfs/dbraw/zinc/26/81/38/661268138.db2.gz GUKOZJKAZHLDJF-UHFFFAOYSA-N -1 0 354.410 -0.560 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@@H](C)O ZINC000848957207 661268214 /nfs/dbraw/zinc/26/82/14/661268214.db2.gz HBTHKUIYNKRINE-MRVPVSSYSA-N -1 0 356.426 -0.848 20 0 FBADRM CON(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C(C)(C)C)n1 ZINC000848957355 661268246 /nfs/dbraw/zinc/26/82/46/661268246.db2.gz NDIFSIBHWOWOHT-UHFFFAOYSA-N -1 0 369.469 -0.012 20 0 FBADRM COc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)OC)ncn1 ZINC000848957415 661268228 /nfs/dbraw/zinc/26/82/28/661268228.db2.gz NJSMZGCVIJMOGK-UHFFFAOYSA-N -1 0 354.410 -0.560 20 0 FBADRM COc1cc(C)nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)OC)n1 ZINC000848957431 661268308 /nfs/dbraw/zinc/26/83/08/661268308.db2.gz OCOJTPICKQUWBM-UHFFFAOYSA-N -1 0 368.437 -0.252 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000848957503 661268304 /nfs/dbraw/zinc/26/83/04/661268304.db2.gz LUDHRMACXZGIBD-DTORHVGOSA-N -1 0 374.391 -0.169 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C1CC(O)C1 ZINC000848957585 661268241 /nfs/dbraw/zinc/26/82/41/661268241.db2.gz BJOWIAPAYHGKNV-UHFFFAOYSA-N -1 0 368.437 -0.705 20 0 FBADRM COc1cncnc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)OC ZINC000848957603 661268273 /nfs/dbraw/zinc/26/82/73/661268273.db2.gz QUODTVQLTGLRRT-UHFFFAOYSA-N -1 0 354.410 -0.560 20 0 FBADRM CON(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc2ccccn2n1 ZINC000848957611 661268231 /nfs/dbraw/zinc/26/82/31/661268231.db2.gz QWCNKLGVGQSLCE-UHFFFAOYSA-N -1 0 363.421 -0.316 20 0 FBADRM CON(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccsc1C(N)=O ZINC000848957644 661268252 /nfs/dbraw/zinc/26/82/52/661268252.db2.gz SCULPUMXDZOZFE-UHFFFAOYSA-N -1 0 371.462 -0.198 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCCO1 ZINC000848957684 661268287 /nfs/dbraw/zinc/26/82/87/661268287.db2.gz TYTRDMDROVUGDP-UHFFFAOYSA-N -1 0 354.410 -0.133 20 0 FBADRM CON(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc2n(n1)CCCC2 ZINC000848957724 661268233 /nfs/dbraw/zinc/26/82/33/661268233.db2.gz UUUKRGKGWGPYPA-UHFFFAOYSA-N -1 0 367.453 -0.431 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(C)(CO)C1 ZINC000848957751 661268296 /nfs/dbraw/zinc/26/82/96/661268296.db2.gz OIDGIUYWWQLHTE-UHFFFAOYSA-N -1 0 368.437 -0.846 20 0 FBADRM CON(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C(C)C)n1 ZINC000848957772 661268220 /nfs/dbraw/zinc/26/82/20/661268220.db2.gz VMLBKKFEHFMPMW-UHFFFAOYSA-N -1 0 355.442 -0.186 20 0 FBADRM CON(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(N(C)C)ncn1 ZINC000848957780 661268312 /nfs/dbraw/zinc/26/83/12/661268312.db2.gz VZBNQWIBEIRJQY-UHFFFAOYSA-N -1 0 367.453 -0.503 20 0 FBADRM CN(C1(CO)CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1 ZINC000848957818 661268443 /nfs/dbraw/zinc/26/84/43/661268443.db2.gz PVRPQRWJIKBYMD-UHFFFAOYSA-N -1 0 370.478 -0.544 20 0 FBADRM C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1 ZINC000848957828 661268423 /nfs/dbraw/zinc/26/84/23/661268423.db2.gz QCEXQLUXZHEPTL-RKDXNWHRSA-N -1 0 370.478 -0.545 20 0 FBADRM CN(C1CC(O)C1)S(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1 ZINC000848957864 661268223 /nfs/dbraw/zinc/26/82/23/661268223.db2.gz DTVKBBQWPGHNKS-UHFFFAOYSA-N -1 0 370.478 -0.545 20 0 FBADRM CON(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc2ncccn2n1 ZINC000848957889 661268422 /nfs/dbraw/zinc/26/84/22/661268422.db2.gz XIVINMXDCMLVNM-UHFFFAOYSA-N -1 0 364.409 -0.921 20 0 FBADRM NS(=O)(=O)CCCS(=O)(=O)[N-]c1cnc(Br)cn1 ZINC000848957927 661267921 /nfs/dbraw/zinc/26/79/21/661267921.db2.gz YLKPDHGVMOBMRZ-UHFFFAOYSA-N -1 0 359.227 -0.341 20 0 FBADRM CON(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nnc(C2CC2)o1 ZINC000848957950 661268446 /nfs/dbraw/zinc/26/84/46/661268446.db2.gz ZDGOCCKQTZCSCJ-UHFFFAOYSA-N -1 0 354.410 -0.098 20 0 FBADRM CON(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1n[nH]c(SC)n1 ZINC000848957958 661268426 /nfs/dbraw/zinc/26/84/26/661268426.db2.gz ZGSGZAWVIXVMSH-UHFFFAOYSA-N -1 0 359.455 -0.519 20 0 FBADRM CON(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C(N)=O)s1 ZINC000848958052 661268448 /nfs/dbraw/zinc/26/84/48/661268448.db2.gz SHJNHNNBJBKUAX-UHFFFAOYSA-N -1 0 372.450 -0.803 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](O)[C@H]1C ZINC000848958062 661268421 /nfs/dbraw/zinc/26/84/21/661268421.db2.gz SXMONSZZZYSJCE-NXEZZACHSA-N -1 0 368.437 -0.705 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)C[C@H]1C ZINC000848958169 661268451 /nfs/dbraw/zinc/26/84/51/661268451.db2.gz JJLKRKSUBHTXCQ-PSASIEDQSA-N -1 0 368.437 -0.705 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)C[C@H]1C ZINC000848958170 661268453 /nfs/dbraw/zinc/26/84/53/661268453.db2.gz JJLKRKSUBHTXCQ-SCZZXKLOSA-N -1 0 368.437 -0.705 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)C[C@@H]1C ZINC000848958171 661268430 /nfs/dbraw/zinc/26/84/30/661268430.db2.gz JJLKRKSUBHTXCQ-WCBMZHEXSA-N -1 0 368.437 -0.705 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)C[C@@H]1C ZINC000848958172 661268412 /nfs/dbraw/zinc/26/84/12/661268412.db2.gz JJLKRKSUBHTXCQ-WPRPVWTQSA-N -1 0 368.437 -0.705 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C1(CO)CC1 ZINC000848958275 661268425 /nfs/dbraw/zinc/26/84/25/661268425.db2.gz XOXAJVNMYSDVPH-UHFFFAOYSA-N -1 0 368.437 -0.704 20 0 FBADRM CC1(O)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)C1 ZINC000848958372 661268429 /nfs/dbraw/zinc/26/84/29/661268429.db2.gz MHCZRQAGPMBQKQ-UHFFFAOYSA-N -1 0 356.451 -0.934 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(C)(F)C1 ZINC000848958409 661268433 /nfs/dbraw/zinc/26/84/33/661268433.db2.gz NKPQURKYGPKXGC-UHFFFAOYSA-N -1 0 356.401 -0.117 20 0 FBADRM COC[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nonc1C ZINC000848958554 661268459 /nfs/dbraw/zinc/26/84/59/661268459.db2.gz RWYOFGYTFZOGLI-JTQLQIEISA-N -1 0 368.437 -0.440 20 0 FBADRM COC[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nonc1C ZINC000848958555 661268418 /nfs/dbraw/zinc/26/84/18/661268418.db2.gz RWYOFGYTFZOGLI-SNVBAGLBSA-N -1 0 368.437 -0.440 20 0 FBADRM C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1 ZINC000848958586 661268438 /nfs/dbraw/zinc/26/84/38/661268438.db2.gz UCPCOCJKHVXPFT-BDAKNGLRSA-N -1 0 370.478 -0.545 20 0 FBADRM C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1 ZINC000848958587 661268415 /nfs/dbraw/zinc/26/84/15/661268415.db2.gz UCPCOCJKHVXPFT-DTWKUNHWSA-N -1 0 370.478 -0.545 20 0 FBADRM C[C@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1 ZINC000848958588 661268458 /nfs/dbraw/zinc/26/84/58/661268458.db2.gz UCPCOCJKHVXPFT-IUCAKERBSA-N -1 0 370.478 -0.545 20 0 FBADRM C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1 ZINC000848958589 661268417 /nfs/dbraw/zinc/26/84/17/661268417.db2.gz UCPCOCJKHVXPFT-RKDXNWHRSA-N -1 0 370.478 -0.545 20 0 FBADRM COC[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1 ZINC000848958598 661268445 /nfs/dbraw/zinc/26/84/45/661268445.db2.gz UMFPVLUPVSGHHO-SECBINFHSA-N -1 0 370.478 -0.280 20 0 FBADRM COC[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1 ZINC000848958599 661268408 /nfs/dbraw/zinc/26/84/08/661268408.db2.gz UMFPVLUPVSGHHO-VIFPVBQESA-N -1 0 370.478 -0.280 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)CO ZINC000848958897 661268620 /nfs/dbraw/zinc/26/86/20/661268620.db2.gz LNKZHXJYRRYLKA-MRVPVSSYSA-N -1 0 356.426 -0.848 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CO ZINC000848958898 661268529 /nfs/dbraw/zinc/26/85/29/661268529.db2.gz LNKZHXJYRRYLKA-QMMMGPOBSA-N -1 0 356.426 -0.848 20 0 FBADRM C[C@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1 ZINC000848958917 661268601 /nfs/dbraw/zinc/26/86/01/661268601.db2.gz MIXGMPHVKVEFAY-MRVPVSSYSA-N -1 0 358.467 -0.688 20 0 FBADRM C[C@@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1 ZINC000848958918 661268524 /nfs/dbraw/zinc/26/85/24/661268524.db2.gz MIXGMPHVKVEFAY-QMMMGPOBSA-N -1 0 358.467 -0.688 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CC[C@@H](CO)C1)[N-]c1cnsn1 ZINC000848959129 661268527 /nfs/dbraw/zinc/26/85/27/661268527.db2.gz AMXQKCUJKPTTBT-SECBINFHSA-N -1 0 370.478 -0.686 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CC[C@H](CO)C1)[N-]c1cnsn1 ZINC000848959130 661268533 /nfs/dbraw/zinc/26/85/33/661268533.db2.gz AMXQKCUJKPTTBT-VIFPVBQESA-N -1 0 370.478 -0.686 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C)[C@H](O)C1 ZINC000848959159 661268522 /nfs/dbraw/zinc/26/85/22/661268522.db2.gz COKVHTPKTVJIFS-PSASIEDQSA-N -1 0 368.437 -0.848 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C)[C@@H](O)C1 ZINC000848959160 661268577 /nfs/dbraw/zinc/26/85/77/661268577.db2.gz COKVHTPKTVJIFS-SCZZXKLOSA-N -1 0 368.437 -0.848 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@H](C)[C@H](O)C1 ZINC000848959161 661268519 /nfs/dbraw/zinc/26/85/19/661268519.db2.gz COKVHTPKTVJIFS-WCBMZHEXSA-N -1 0 368.437 -0.848 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)[C@@H](C)C1 ZINC000848959162 661268559 /nfs/dbraw/zinc/26/85/59/661268559.db2.gz COKVHTPKTVJIFS-WPRPVWTQSA-N -1 0 368.437 -0.848 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCCOC1)[N-]c1cnsn1 ZINC000848959171 661268554 /nfs/dbraw/zinc/26/85/54/661268554.db2.gz CVLAXBWDYYJWAH-UHFFFAOYSA-N -1 0 356.451 -0.321 20 0 FBADRM C[C@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1 ZINC000848959189 661268442 /nfs/dbraw/zinc/26/84/42/661268442.db2.gz AGNUVEXQPNBXCE-QMMMGPOBSA-N -1 0 358.467 -0.688 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CC[C@@H](O)C1)[N-]c1cnsn1 ZINC000848959309 661268611 /nfs/dbraw/zinc/26/86/11/661268611.db2.gz FIJSAOHBZKFOEA-MRVPVSSYSA-N -1 0 356.451 -0.934 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCC[C@@H]1CO)[N-]c1cnsn1 ZINC000848959332 661268596 /nfs/dbraw/zinc/26/85/96/661268596.db2.gz GDZMTWAGNCRDSH-SECBINFHSA-N -1 0 370.478 -0.544 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCC[C@H]1CO)[N-]c1cnsn1 ZINC000848959333 661268516 /nfs/dbraw/zinc/26/85/16/661268516.db2.gz GDZMTWAGNCRDSH-VIFPVBQESA-N -1 0 370.478 -0.544 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@H](C)O ZINC000848959356 661268583 /nfs/dbraw/zinc/26/85/83/661268583.db2.gz HBTHKUIYNKRINE-QMMMGPOBSA-N -1 0 356.426 -0.848 20 0 FBADRM CN([C@@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1 ZINC000848959433 661268590 /nfs/dbraw/zinc/26/85/90/661268590.db2.gz IVVWKMFUGJQLLF-SECBINFHSA-N -1 0 370.478 -0.280 20 0 FBADRM CN([C@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1 ZINC000848959434 661268569 /nfs/dbraw/zinc/26/85/69/661268569.db2.gz IVVWKMFUGJQLLF-VIFPVBQESA-N -1 0 370.478 -0.280 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]1CO ZINC000848959446 661268704 /nfs/dbraw/zinc/26/87/04/661268704.db2.gz JJGQBSMITIPBSD-JTQLQIEISA-N -1 0 368.437 -0.704 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1CO ZINC000848959447 661268746 /nfs/dbraw/zinc/26/87/46/661268746.db2.gz JJGQBSMITIPBSD-SNVBAGLBSA-N -1 0 368.437 -0.704 20 0 FBADRM COC1(C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nonc2C)C1 ZINC000848959496 661268739 /nfs/dbraw/zinc/26/87/39/661268739.db2.gz JHCZOBXLYJXPNU-UHFFFAOYSA-N -1 0 368.437 -0.440 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(N(C)C)C1 ZINC000848959500 661268680 /nfs/dbraw/zinc/26/86/80/661268680.db2.gz JJCWAODPYTUUFG-UHFFFAOYSA-N -1 0 367.453 -0.915 20 0 FBADRM CCOC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)C1 ZINC000848959501 661268720 /nfs/dbraw/zinc/26/87/20/661268720.db2.gz JJJXNYBYJSJQQF-UHFFFAOYSA-N -1 0 370.478 -0.280 20 0 FBADRM COC1(C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)C1 ZINC000848959504 661268700 /nfs/dbraw/zinc/26/87/00/661268700.db2.gz JPBIIMQYZLZKEU-UHFFFAOYSA-N -1 0 370.478 -0.280 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)C[C@@H]1O ZINC000848959551 661268669 /nfs/dbraw/zinc/26/86/69/661268669.db2.gz LYIGAACOUWJVQL-BDAKNGLRSA-N -1 0 370.478 -0.688 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)C[C@H]1O ZINC000848959552 661268698 /nfs/dbraw/zinc/26/86/98/661268698.db2.gz LYIGAACOUWJVQL-DTWKUNHWSA-N -1 0 370.478 -0.688 20 0 FBADRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)C[C@@H]1O ZINC000848959553 661268748 /nfs/dbraw/zinc/26/87/48/661268748.db2.gz LYIGAACOUWJVQL-IUCAKERBSA-N -1 0 370.478 -0.688 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)C[C@H]1O ZINC000848959554 661268730 /nfs/dbraw/zinc/26/87/30/661268730.db2.gz LYIGAACOUWJVQL-RKDXNWHRSA-N -1 0 370.478 -0.688 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCOCC1 ZINC000848959648 661268702 /nfs/dbraw/zinc/26/87/02/661268702.db2.gz NVEHBNRELSUNRQ-UHFFFAOYSA-N -1 0 368.437 -0.438 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCCOCC1)[N-]c1cnsn1 ZINC000848959657 661268734 /nfs/dbraw/zinc/26/87/34/661268734.db2.gz OIKSOMGJDXDHCQ-UHFFFAOYSA-N -1 0 370.478 -0.278 20 0 FBADRM CN(C)C1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)C1 ZINC000848959679 661268673 /nfs/dbraw/zinc/26/86/73/661268673.db2.gz MPBKGDXECCVOIO-UHFFFAOYSA-N -1 0 369.494 -0.755 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCOC1)[N-]c1cnc(Cl)cn1 ZINC000848959680 661268713 /nfs/dbraw/zinc/26/87/13/661268713.db2.gz MTTPFXDHEGORHT-UHFFFAOYSA-N -1 0 370.840 -0.119 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CCOC1)[N-]c1cncc(Cl)n1 ZINC000848959697 661268675 /nfs/dbraw/zinc/26/86/75/661268675.db2.gz NVULWFKAHVSIQK-UHFFFAOYSA-N -1 0 370.840 -0.119 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@H]1CCOC1 ZINC000848959809 661268732 /nfs/dbraw/zinc/26/87/32/661268732.db2.gz QMUDKHDINVJKRU-JTQLQIEISA-N -1 0 368.437 -0.440 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H]1CCOC1 ZINC000848959810 661268735 /nfs/dbraw/zinc/26/87/35/661268735.db2.gz QMUDKHDINVJKRU-SNVBAGLBSA-N -1 0 368.437 -0.440 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCOC1 ZINC000848960058 661268718 /nfs/dbraw/zinc/26/87/18/661268718.db2.gz VOOADHQQXLSOPU-UHFFFAOYSA-N -1 0 354.410 -0.481 20 0 FBADRM CCOC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nonc2C)C1 ZINC000848960244 661268695 /nfs/dbraw/zinc/26/86/95/661268695.db2.gz ZTZCYWADHDBTKU-UHFFFAOYSA-N -1 0 368.437 -0.440 20 0 FBADRM CO[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nonc2C)C1 ZINC000848960367 661268918 /nfs/dbraw/zinc/26/89/18/661268918.db2.gz DQQZUDNSVQGPTD-JTQLQIEISA-N -1 0 368.437 -0.440 20 0 FBADRM CO[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nonc2C)C1 ZINC000848960368 661268878 /nfs/dbraw/zinc/26/88/78/661268878.db2.gz DQQZUDNSVQGPTD-SNVBAGLBSA-N -1 0 368.437 -0.440 20 0 FBADRM CO[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)C1 ZINC000848960450 661268899 /nfs/dbraw/zinc/26/88/99/661268899.db2.gz FWZOFONPJDMPAK-SECBINFHSA-N -1 0 370.478 -0.280 20 0 FBADRM CO[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)C1 ZINC000848960458 661268890 /nfs/dbraw/zinc/26/88/90/661268890.db2.gz FWZOFONPJDMPAK-VIFPVBQESA-N -1 0 370.478 -0.280 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](F)C1 ZINC000848960841 661268916 /nfs/dbraw/zinc/26/89/16/661268916.db2.gz KQLSYSKPKVWXTB-SECBINFHSA-N -1 0 356.401 -0.117 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](F)C1 ZINC000848960842 661268907 /nfs/dbraw/zinc/26/89/07/661268907.db2.gz KQLSYSKPKVWXTB-VIFPVBQESA-N -1 0 356.401 -0.117 20 0 FBADRM COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nonc2C)C1 ZINC000848961196 661268852 /nfs/dbraw/zinc/26/88/52/661268852.db2.gz SAWHWRNVJXPSQO-UHFFFAOYSA-N -1 0 354.410 -0.830 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)CC(C)(C)O ZINC000848961476 661269088 /nfs/dbraw/zinc/26/90/88/661269088.db2.gz YOGXYRUWFHWERC-UHFFFAOYSA-N -1 0 370.453 -0.458 20 0 FBADRM COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)C1 ZINC000848961494 661269033 /nfs/dbraw/zinc/26/90/33/661269033.db2.gz YXBGZYVOJIONFZ-UHFFFAOYSA-N -1 0 356.451 -0.670 20 0 FBADRM CN(CC(C)(C)O)S(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1 ZINC000848961521 661269023 /nfs/dbraw/zinc/26/90/23/661269023.db2.gz ZOQKWKTUQAMFEL-UHFFFAOYSA-N -1 0 372.494 -0.298 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@H]1O ZINC000848961667 661269027 /nfs/dbraw/zinc/26/90/27/661269027.db2.gz ANUQNOJCOWKIGV-NXEZZACHSA-N -1 0 368.437 -0.657 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]1CCCO1 ZINC000848961734 661269046 /nfs/dbraw/zinc/26/90/46/661269046.db2.gz BUWFFGDKUPNYLH-SNVBAGLBSA-N -1 0 368.437 -0.392 20 0 FBADRM CN(CCO)S(=O)(=O)CCCS(=O)(=O)[N-]c1cnc(Cl)cn1 ZINC000848961814 661269101 /nfs/dbraw/zinc/26/91/01/661269101.db2.gz DJDOWAHVNVIVCS-UHFFFAOYSA-N -1 0 372.856 -0.484 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@H]1CCCO1)[N-]c1cnsn1 ZINC000848961835 661269078 /nfs/dbraw/zinc/26/90/78/661269078.db2.gz FOMXDVIAZJKMGW-SECBINFHSA-N -1 0 370.478 -0.232 20 0 FBADRM CN(CCO)S(=O)(=O)CCCS(=O)(=O)[N-]c1cncc(Cl)n1 ZINC000848961973 661269257 /nfs/dbraw/zinc/26/92/57/661269257.db2.gz GPDKOHILFLZFHX-UHFFFAOYSA-N -1 0 372.856 -0.484 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCSCC1 ZINC000848962093 661269256 /nfs/dbraw/zinc/26/92/56/661269256.db2.gz YTXJYGYFMLEETN-UHFFFAOYSA-N -1 0 370.478 -0.112 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCN(C)CC1 ZINC000848962114 661269254 /nfs/dbraw/zinc/26/92/54/661269254.db2.gz JMXYKXOHUPALJL-UHFFFAOYSA-N -1 0 367.453 -0.913 20 0 FBADRM CN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)CC1 ZINC000848962200 661269247 /nfs/dbraw/zinc/26/92/47/661269247.db2.gz NMJMZWDVZYHRTH-UHFFFAOYSA-N -1 0 369.494 -0.753 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCC[C@H]1O)[N-]c1cnsn1 ZINC000848962360 661269262 /nfs/dbraw/zinc/26/92/62/661269262.db2.gz UNHRKFVMXPLYLS-RKDXNWHRSA-N -1 0 370.478 -0.497 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CC[C@H]1O)[N-]c1cnsn1 ZINC000848962448 661269275 /nfs/dbraw/zinc/26/92/75/661269275.db2.gz XULDUZDQQSBACS-HTQZYQBOSA-N -1 0 356.451 -0.887 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1CC[C@H](O)C1)[N-]c1cnsn1 ZINC000848962577 661269270 /nfs/dbraw/zinc/26/92/70/661269270.db2.gz FIJSAOHBZKFOEA-QMMMGPOBSA-N -1 0 356.451 -0.934 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000848962836 661269255 /nfs/dbraw/zinc/26/92/55/661269255.db2.gz ABNMQQQTAQBTFS-JGZJWPJOSA-N -1 0 368.437 -0.657 20 0 FBADRM C[C@@]1(NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)CCOC1=O ZINC000848962997 661269492 /nfs/dbraw/zinc/26/94/92/661269492.db2.gz GJWZZPDWWAHJCT-LLVKDONJSA-N -1 0 367.405 -0.569 20 0 FBADRM C[C@]1(NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)CCOC1=O ZINC000848962998 661269417 /nfs/dbraw/zinc/26/94/17/661269417.db2.gz GJWZZPDWWAHJCT-NSHDSACASA-N -1 0 367.405 -0.569 20 0 FBADRM C[C@@]1(O)C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)C1 ZINC000848963542 661269421 /nfs/dbraw/zinc/26/94/21/661269421.db2.gz UUFQDCYRZWXGEY-WAAGHKOSSA-N -1 0 370.478 -0.497 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@H]1[C@@H]2COC[C@@H]21)[N-]c1cnsn1 ZINC000848963852 661269616 /nfs/dbraw/zinc/26/96/16/661269616.db2.gz DWZAPSUCYMVESG-MBTKJCJQSA-N -1 0 368.462 -0.766 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCOC1)[N-]c1cnsn1 ZINC000848964032 661269640 /nfs/dbraw/zinc/26/96/40/661269640.db2.gz HQJQNAAVVNKSMP-MRVPVSSYSA-N -1 0 356.451 -0.622 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@H]1CCOC1)[N-]c1cnsn1 ZINC000848964033 661269582 /nfs/dbraw/zinc/26/95/82/661269582.db2.gz HQJQNAAVVNKSMP-QMMMGPOBSA-N -1 0 356.451 -0.622 20 0 FBADRM C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)CO1 ZINC000848964178 661269555 /nfs/dbraw/zinc/26/95/55/661269555.db2.gz KLOJZTZVICGOQF-BDAKNGLRSA-N -1 0 370.478 -0.233 20 0 FBADRM C[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)CO1 ZINC000848964179 661269620 /nfs/dbraw/zinc/26/96/20/661269620.db2.gz KLOJZTZVICGOQF-DTWKUNHWSA-N -1 0 370.478 -0.233 20 0 FBADRM C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)CO1 ZINC000848964180 661269637 /nfs/dbraw/zinc/26/96/37/661269637.db2.gz KLOJZTZVICGOQF-IUCAKERBSA-N -1 0 370.478 -0.233 20 0 FBADRM C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)CO1 ZINC000848964181 661269587 /nfs/dbraw/zinc/26/95/87/661269587.db2.gz KLOJZTZVICGOQF-RKDXNWHRSA-N -1 0 370.478 -0.233 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)NCc1ccc[nH]1 ZINC000848964206 661269559 /nfs/dbraw/zinc/26/95/59/661269559.db2.gz LLKAYFGMOXHQLP-UHFFFAOYSA-N -1 0 363.421 -0.042 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CO[C@H](C)C1 ZINC000848964418 661269615 /nfs/dbraw/zinc/26/96/15/661269615.db2.gz QNVAQKTYLUIEJM-PSASIEDQSA-N -1 0 368.437 -0.393 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CO[C@H](C)C1 ZINC000848964419 661269571 /nfs/dbraw/zinc/26/95/71/661269571.db2.gz QNVAQKTYLUIEJM-SCZZXKLOSA-N -1 0 368.437 -0.393 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CO[C@@H](C)C1 ZINC000848964420 661269608 /nfs/dbraw/zinc/26/96/08/661269608.db2.gz QNVAQKTYLUIEJM-WCBMZHEXSA-N -1 0 368.437 -0.393 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000848964421 661269568 /nfs/dbraw/zinc/26/95/68/661269568.db2.gz QNVAQKTYLUIEJM-WPRPVWTQSA-N -1 0 368.437 -0.393 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000848964503 661269597 /nfs/dbraw/zinc/26/95/97/661269597.db2.gz UIBAJYWZLSLBIN-MYJAWHEDSA-N -1 0 366.421 -0.926 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCOC1 ZINC000848964709 661269560 /nfs/dbraw/zinc/26/95/60/661269560.db2.gz XNKATXMHTFKFJG-SECBINFHSA-N -1 0 354.410 -0.782 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCOC1 ZINC000848964710 661269572 /nfs/dbraw/zinc/26/95/72/661269572.db2.gz XNKATXMHTFKFJG-VIFPVBQESA-N -1 0 354.410 -0.782 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCSC1 ZINC000848965480 661269773 /nfs/dbraw/zinc/26/97/73/661269773.db2.gz ODAUDLXABKUCIM-SECBINFHSA-N -1 0 370.478 -0.065 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCSC1 ZINC000848965481 661269815 /nfs/dbraw/zinc/26/98/15/661269815.db2.gz ODAUDLXABKUCIM-VIFPVBQESA-N -1 0 370.478 -0.065 20 0 FBADRM C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1)c1ccc[nH]1 ZINC000848965627 661269954 /nfs/dbraw/zinc/26/99/54/661269954.db2.gz UIZWIPWHLMJRNR-SECBINFHSA-N -1 0 362.437 -0.055 20 0 FBADRM C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1)c1ccc[nH]1 ZINC000848965628 661269869 /nfs/dbraw/zinc/26/98/69/661269869.db2.gz UIZWIPWHLMJRNR-VIFPVBQESA-N -1 0 362.437 -0.055 20 0 FBADRM CC1(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)OCCO1 ZINC000848965694 661269884 /nfs/dbraw/zinc/26/98/84/661269884.db2.gz VEBKCOSKRDWKLT-UHFFFAOYSA-N -1 0 369.421 -0.511 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCCOC1)[N-]c1cnsn1 ZINC000848965762 661269933 /nfs/dbraw/zinc/26/99/33/661269933.db2.gz WSJYIAHLTYQWKN-SECBINFHSA-N -1 0 370.478 -0.232 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N[C@H]1CCCOC1)[N-]c1cnsn1 ZINC000848965763 661269902 /nfs/dbraw/zinc/26/99/02/661269902.db2.gz WSJYIAHLTYQWKN-VIFPVBQESA-N -1 0 370.478 -0.232 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCOC1 ZINC000848965793 661269882 /nfs/dbraw/zinc/26/98/82/661269882.db2.gz XGRYRTVRJMAKFU-JTQLQIEISA-N -1 0 368.437 -0.392 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCOC1 ZINC000848965796 661269909 /nfs/dbraw/zinc/26/99/09/661269909.db2.gz XGRYRTVRJMAKFU-SNVBAGLBSA-N -1 0 368.437 -0.392 20 0 FBADRM C[C@@H](O)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1cnc(Cl)cn1 ZINC000848966075 661269865 /nfs/dbraw/zinc/26/98/65/661269865.db2.gz DDFGRQRKOLVWCZ-MRVPVSSYSA-N -1 0 372.856 -0.438 20 0 FBADRM C[C@H](O)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1cnc(Cl)cn1 ZINC000848966076 661269896 /nfs/dbraw/zinc/26/98/96/661269896.db2.gz DDFGRQRKOLVWCZ-QMMMGPOBSA-N -1 0 372.856 -0.438 20 0 FBADRM C[C@H](CO)NS(=O)(=O)CCCS(=O)(=O)[N-]c1cncc(Cl)n1 ZINC000848966189 661269911 /nfs/dbraw/zinc/26/99/11/661269911.db2.gz GFXCHAVZRVFJEW-MRVPVSSYSA-N -1 0 372.856 -0.438 20 0 FBADRM C[C@@H](CO)NS(=O)(=O)CCCS(=O)(=O)[N-]c1cncc(Cl)n1 ZINC000848966190 661269920 /nfs/dbraw/zinc/26/99/20/661269920.db2.gz GFXCHAVZRVFJEW-QMMMGPOBSA-N -1 0 372.856 -0.438 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@@H]1CCC=CO1)[N-]c1nc[nH]n1 ZINC000848966259 661269895 /nfs/dbraw/zinc/26/98/95/661269895.db2.gz IEWJYKQKHWVHRI-JTQLQIEISA-N -1 0 365.437 -0.451 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@H]1CCC=CO1)[N-]c1nc[nH]n1 ZINC000848966260 661269945 /nfs/dbraw/zinc/26/99/45/661269945.db2.gz IEWJYKQKHWVHRI-SNVBAGLBSA-N -1 0 365.437 -0.451 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H](C)C(C)(C)O ZINC000848966312 661270011 /nfs/dbraw/zinc/27/00/11/661270011.db2.gz KBPNXAYUCJTZAM-SECBINFHSA-N -1 0 370.453 -0.411 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C(C)(C)O ZINC000848966313 661270114 /nfs/dbraw/zinc/27/01/14/661270114.db2.gz KBPNXAYUCJTZAM-VIFPVBQESA-N -1 0 370.453 -0.411 20 0 FBADRM C[C@@H](O)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1cncc(Cl)n1 ZINC000848966328 661270138 /nfs/dbraw/zinc/27/01/38/661270138.db2.gz LGEUUWHXNWQOPG-MRVPVSSYSA-N -1 0 372.856 -0.438 20 0 FBADRM C[C@H](O)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1cncc(Cl)n1 ZINC000848966329 661270073 /nfs/dbraw/zinc/27/00/73/661270073.db2.gz LGEUUWHXNWQOPG-QMMMGPOBSA-N -1 0 372.856 -0.438 20 0 FBADRM C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1)C(C)(C)O ZINC000848966381 661270015 /nfs/dbraw/zinc/27/00/15/661270015.db2.gz NNNNDEZSMDDZCL-MRVPVSSYSA-N -1 0 372.494 -0.251 20 0 FBADRM C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1)C(C)(C)O ZINC000848966382 661270064 /nfs/dbraw/zinc/27/00/64/661270064.db2.gz NNNNDEZSMDDZCL-QMMMGPOBSA-N -1 0 372.494 -0.251 20 0 FBADRM C[C@H](CO)NS(=O)(=O)CCCS(=O)(=O)[N-]c1cnc(Cl)cn1 ZINC000848966564 661270042 /nfs/dbraw/zinc/27/00/42/661270042.db2.gz UHZJLBKDYWBULX-MRVPVSSYSA-N -1 0 372.856 -0.438 20 0 FBADRM C[C@@H](CO)NS(=O)(=O)CCCS(=O)(=O)[N-]c1cnc(Cl)cn1 ZINC000848966565 661270104 /nfs/dbraw/zinc/27/01/04/661270104.db2.gz UHZJLBKDYWBULX-QMMMGPOBSA-N -1 0 372.856 -0.438 20 0 FBADRM CC1(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)COC1 ZINC000848966763 661270088 /nfs/dbraw/zinc/27/00/88/661270088.db2.gz ZXWHEIPINBCLBI-UHFFFAOYSA-N -1 0 370.478 -0.374 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@H]1CCOC1)[N-]c1cnsn1 ZINC000848966874 661270159 /nfs/dbraw/zinc/27/01/59/661270159.db2.gz FHZHASYDHGGMOW-SECBINFHSA-N -1 0 370.478 -0.374 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@@H]1CCOC1)[N-]c1cnsn1 ZINC000848966875 661270184 /nfs/dbraw/zinc/27/01/84/661270184.db2.gz FHZHASYDHGGMOW-VIFPVBQESA-N -1 0 370.478 -0.374 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NCC1(O)CCC1)[N-]c1cnsn1 ZINC000848966879 661270161 /nfs/dbraw/zinc/27/01/61/661270161.db2.gz FPVUBEORSRHBSJ-UHFFFAOYSA-N -1 0 370.478 -0.496 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)NCC1(O)CCC1 ZINC000848966970 661270154 /nfs/dbraw/zinc/27/01/54/661270154.db2.gz JXMJSODXMQZDRQ-UHFFFAOYSA-N -1 0 368.437 -0.656 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC1CCOCC1)[N-]c1cnsn1 ZINC000848967171 661270174 /nfs/dbraw/zinc/27/01/74/661270174.db2.gz STRXCPZPNQGPEG-UHFFFAOYSA-N -1 0 370.478 -0.232 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CCCO1 ZINC000848967425 852299494 /nfs/dbraw/zinc/29/94/94/852299494.db2.gz BUWFFGDKUPNYLH-JTQLQIEISA-N -1 0 368.437 -0.392 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@@H]1CCCO1)[N-]c1cnsn1 ZINC000848967483 852299012 /nfs/dbraw/zinc/29/90/12/852299012.db2.gz FOMXDVIAZJKMGW-VIFPVBQESA-N -1 0 370.478 -0.232 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)(C)O ZINC000848967519 852299072 /nfs/dbraw/zinc/29/90/72/852299072.db2.gz GKBQOLFCIMIDSQ-UHFFFAOYSA-N -1 0 356.426 -0.800 20 0 FBADRM CC(C)(O)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1 ZINC000848967604 852299467 /nfs/dbraw/zinc/29/94/67/852299467.db2.gz HKNIMDDGKBWEFZ-UHFFFAOYSA-N -1 0 358.467 -0.640 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N[C@@H]1CCOC1)[N-]c1cnsn1 ZINC000848968026 661270357 /nfs/dbraw/zinc/27/03/57/661270357.db2.gz LVZKFIXNAVRVTD-SECBINFHSA-N -1 0 370.478 -0.232 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N[C@H]1CCOC1)[N-]c1cnsn1 ZINC000848968028 661270394 /nfs/dbraw/zinc/27/03/94/661270394.db2.gz LVZKFIXNAVRVTD-VIFPVBQESA-N -1 0 370.478 -0.232 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NCCO)[N-]c1cnc(Cl)cn1 ZINC000848968317 661270336 /nfs/dbraw/zinc/27/03/36/661270336.db2.gz XYQZIWMXQXXMSD-UHFFFAOYSA-N -1 0 358.829 -0.827 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NCCO)[N-]c1cncc(Cl)n1 ZINC000848968327 661270316 /nfs/dbraw/zinc/27/03/16/661270316.db2.gz YVUSALOCLCXKHR-UHFFFAOYSA-N -1 0 358.829 -0.827 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N1CC[C@@H](O)C1)[N-]c1cnsn1 ZINC000848968638 661270278 /nfs/dbraw/zinc/27/02/78/661270278.db2.gz CAUGOGKCBAUPQP-SECBINFHSA-N -1 0 370.478 -0.544 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N1CC[C@H](O)C1)[N-]c1cnsn1 ZINC000848968639 661270322 /nfs/dbraw/zinc/27/03/22/661270322.db2.gz CAUGOGKCBAUPQP-VIFPVBQESA-N -1 0 370.478 -0.544 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N[C@@H]1CC[C@H]1O)[N-]c1cnsn1 ZINC000848968678 661270402 /nfs/dbraw/zinc/27/04/02/661270402.db2.gz FMHQTRYSKZTIOI-RKDXNWHRSA-N -1 0 370.478 -0.497 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCCS(=O)(=O)N1CCCOC1 ZINC000848969185 661270287 /nfs/dbraw/zinc/27/02/87/661270287.db2.gz BQEHUZLXGJPAAV-UHFFFAOYSA-N -1 0 368.437 -0.090 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N1CCOC1)[N-]c1cnsn1 ZINC000848969275 661270271 /nfs/dbraw/zinc/27/02/71/661270271.db2.gz GLOFXCRXBYWPRO-UHFFFAOYSA-N -1 0 356.451 -0.321 20 0 FBADRM COC1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2cnsn2)C1 ZINC000848969379 661270553 /nfs/dbraw/zinc/27/05/53/661270553.db2.gz KHMFCHWUGMUQNN-UHFFFAOYSA-N -1 0 370.478 -0.280 20 0 FBADRM COC1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2nonc2C)C1 ZINC000848969411 661270573 /nfs/dbraw/zinc/27/05/73/661270573.db2.gz LPSMLBDSYMAVIO-UHFFFAOYSA-N -1 0 368.437 -0.440 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCCS(=O)(=O)N1CCOC1 ZINC000848969752 661270537 /nfs/dbraw/zinc/27/05/37/661270537.db2.gz YZNYOZVMVMZSKA-UHFFFAOYSA-N -1 0 354.410 -0.481 20 0 FBADRM NS(=O)(=O)CCCCS(=O)(=O)[N-]CC(F)(F)Br ZINC000848969862 661270499 /nfs/dbraw/zinc/27/04/99/661270499.db2.gz DTXLRMQXVHBLPK-UHFFFAOYSA-N -1 0 359.214 -0.038 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCCS(=O)(=O)N1CCCO1 ZINC000848970122 661270521 /nfs/dbraw/zinc/27/05/21/661270521.db2.gz MRXONXSRQNWKFD-UHFFFAOYSA-N -1 0 354.410 -0.133 20 0 FBADRM CC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2cnsn2)C1 ZINC000848970124 661270595 /nfs/dbraw/zinc/27/05/95/661270595.db2.gz MSCFJSNQBKLRBR-UHFFFAOYSA-N -1 0 370.478 -0.544 20 0 FBADRM Cc1nonc1[N-]S(=O)(=O)CCCCS(=O)(=O)N1CC(C)(O)C1 ZINC000848970453 661270441 /nfs/dbraw/zinc/27/04/41/661270441.db2.gz WJMGHPQIUMFMRI-UHFFFAOYSA-N -1 0 368.437 -0.704 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N(CCSC)CC(=O)[O-])CC1 ZINC000849220036 661271114 /nfs/dbraw/zinc/27/11/14/661271114.db2.gz DBGXPVZXIHNTEF-UHFFFAOYSA-N -1 0 369.465 -0.245 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CC3(C)CC2(C(=O)[O-])C3)CC1 ZINC000849220068 661271218 /nfs/dbraw/zinc/27/12/18/661271218.db2.gz DRKFKKIMPIRZRY-UHFFFAOYSA-N -1 0 361.420 -0.056 20 0 FBADRM CC(C)(C)OCCN(CCC(=O)[O-])S(=O)(=O)CCS(C)(=O)=O ZINC000849220208 661271223 /nfs/dbraw/zinc/27/12/23/661271223.db2.gz JUQSCAUEDWVAIO-UHFFFAOYSA-N -1 0 359.466 -0.047 20 0 FBADRM CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c1 ZINC000849220218 661271177 /nfs/dbraw/zinc/27/11/77/661271177.db2.gz AECRIHVVUZVBBC-SECBINFHSA-N -1 0 350.780 -0.234 20 0 FBADRM CSCCN(CC(=O)[O-])S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000849220343 661271183 /nfs/dbraw/zinc/27/11/83/661271183.db2.gz KZJZSSIYVIMIPB-UHFFFAOYSA-N -1 0 354.450 -0.180 20 0 FBADRM COC(=O)NCCc1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])s1 ZINC000849220424 661271132 /nfs/dbraw/zinc/27/11/32/661271132.db2.gz AOWLEXZDNXWAKW-MRVPVSSYSA-N -1 0 352.390 -0.630 20 0 FBADRM O=C([O-])[C@H](O)CNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000849220594 661271425 /nfs/dbraw/zinc/27/14/25/661271425.db2.gz GLPPBVAXDFUEID-MRVPVSSYSA-N -1 0 356.278 -0.089 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])ccc1Cl ZINC000849220714 661271384 /nfs/dbraw/zinc/27/13/84/661271384.db2.gz CVASHSSJXQPIFT-MRVPVSSYSA-N -1 0 357.793 -0.533 20 0 FBADRM O=C([O-])[C@H](O)CNS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 ZINC000849220932 661271358 /nfs/dbraw/zinc/27/13/58/661271358.db2.gz JUWWLOKSPXYKLN-GFCCVEGCSA-N -1 0 358.372 -0.628 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c(Br)o1 ZINC000849221079 661271345 /nfs/dbraw/zinc/27/13/45/661271345.db2.gz KPPMLNMUQGMVDF-SCSAIBSYSA-N -1 0 372.149 -0.448 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c(Cl)s1 ZINC000849221517 661271370 /nfs/dbraw/zinc/27/13/70/661271370.db2.gz QTRUTHICHYQEMC-SCSAIBSYSA-N -1 0 363.822 -0.471 20 0 FBADRM CCCCCCn1cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c(=O)[nH]c1=O ZINC000849222186 661271391 /nfs/dbraw/zinc/27/13/91/661271391.db2.gz RBZXHSIZHRQQTC-SECBINFHSA-N -1 0 363.392 -0.747 20 0 FBADRM O=C([O-])[C@H](O)CNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000849222197 661271336 /nfs/dbraw/zinc/27/13/36/661271336.db2.gz RINXKTLNYAJULR-ZCFIWIBFSA-N -1 0 359.328 -0.593 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c(F)cc1Cl ZINC000849222468 661271353 /nfs/dbraw/zinc/27/13/53/661271353.db2.gz WYLWUJZFTANDRK-MRVPVSSYSA-N -1 0 355.727 -0.011 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1C ZINC000849233235 661271587 /nfs/dbraw/zinc/27/15/87/661271587.db2.gz XVUCTMBZEKEHQX-YMTOWFKASA-N -1 0 358.372 -0.467 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC2(CCC2)[C@](F)(C(=O)[O-])C1 ZINC000849334979 661272108 /nfs/dbraw/zinc/27/21/08/661272108.db2.gz RRWWQPODDRANKJ-GFCCVEGCSA-N -1 0 372.440 -0.466 20 0 FBADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC2(CCC2)[C@@](F)(C(=O)[O-])C1 ZINC000849334982 661272148 /nfs/dbraw/zinc/27/21/48/661272148.db2.gz RRWWQPODDRANKJ-LBPRGKRZSA-N -1 0 372.440 -0.466 20 0 FBADRM CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000849348745 661272109 /nfs/dbraw/zinc/27/21/09/661272109.db2.gz NCRWIOWPRBUELL-GDGBQDQQSA-N -1 0 360.413 -0.496 20 0 FBADRM O=C(CN1CCN(S(=O)(=O)c2ccccc2[O-])CC1)N1CCOCC1 ZINC000849369294 661272095 /nfs/dbraw/zinc/27/20/95/661272095.db2.gz QMPASAHNNJGRBQ-UHFFFAOYSA-N -1 0 369.443 -0.443 20 0 FBADRM O=S(=O)(c1ccccc1[O-])N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000849369450 661272106 /nfs/dbraw/zinc/27/21/06/661272106.db2.gz VBHBDEFRZBALQD-GFCCVEGCSA-N -1 0 360.457 -0.114 20 0 FBADRM O=S(=O)(c1ccccc1[O-])N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000849369451 661272132 /nfs/dbraw/zinc/27/21/32/661272132.db2.gz VBHBDEFRZBALQD-LBPRGKRZSA-N -1 0 360.457 -0.114 20 0 FBADRM O=S(=O)(CCNS(=O)(=O)c1ccccc1[O-])N1CCOCC1 ZINC000849372103 661272341 /nfs/dbraw/zinc/27/23/41/661272341.db2.gz GDZASOHWLPJURM-UHFFFAOYSA-N -1 0 350.418 -0.668 20 0 FBADRM CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccccc2[O-])CC1 ZINC000849373328 661272374 /nfs/dbraw/zinc/27/23/74/661272374.db2.gz BFLZAVHHQVPLPW-UHFFFAOYSA-N -1 0 355.416 -0.249 20 0 FBADRM O=S(=O)(Cc1ccon1)NCCNS(=O)(=O)c1ccccc1[O-] ZINC000849378382 661272331 /nfs/dbraw/zinc/27/23/31/661272331.db2.gz FOGVKKGACWDRBW-UHFFFAOYSA-N -1 0 361.401 -0.222 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)[N-]N1CCCNC1=O)C(=O)NCCC2 ZINC000849387074 661272500 /nfs/dbraw/zinc/27/25/00/661272500.db2.gz FJRVDDOIJBEMOG-UHFFFAOYSA-N -1 0 368.415 -0.020 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000849399939 661273557 /nfs/dbraw/zinc/27/35/57/661273557.db2.gz AJMODZZZGHPSFX-UHFFFAOYSA-N -1 0 361.445 -0.001 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cc2c(cc1OC)CCCNC2=O ZINC000849401430 661273580 /nfs/dbraw/zinc/27/35/80/661273580.db2.gz XQDITCHRCGXPFB-UHFFFAOYSA-N -1 0 371.415 -0.283 20 0 FBADRM CN(C)C(=O)OCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000849446347 661274642 /nfs/dbraw/zinc/27/46/42/661274642.db2.gz RCKADTIKFNITNI-UHFFFAOYSA-N -1 0 357.348 -0.588 20 0 FBADRM CC(C)(C)OC(=O)[C@@]1([N-]S(=O)(=O)CCS(C)(=O)=O)CCOC1 ZINC000849447969 661274938 /nfs/dbraw/zinc/27/49/38/661274938.db2.gz YDBXZZPYNYLDOF-GFCCVEGCSA-N -1 0 357.450 -0.549 20 0 FBADRM CC(C)(C)OC(=O)[C@]1([N-]S(=O)(=O)CCS(C)(=O)=O)CCOC1 ZINC000849447970 661274917 /nfs/dbraw/zinc/27/49/17/661274917.db2.gz YDBXZZPYNYLDOF-LBPRGKRZSA-N -1 0 357.450 -0.549 20 0 FBADRM COC(=O)N(C)CCN(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000849467534 661275296 /nfs/dbraw/zinc/27/52/96/661275296.db2.gz CSYASGMJBGXBLL-UHFFFAOYSA-N -1 0 371.375 -0.245 20 0 FBADRM COC(=O)N(C)CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000849472082 661275427 /nfs/dbraw/zinc/27/54/27/661275427.db2.gz XHZMIMSVMOANBG-UHFFFAOYSA-N -1 0 357.348 -0.588 20 0 FBADRM CC(C)(C)OC(=O)NCCn1cc(C(=O)OCc2n[nH]c(=O)[n-]2)nn1 ZINC000850117822 661279003 /nfs/dbraw/zinc/27/90/03/661279003.db2.gz BKIPSULQOVNLFS-UHFFFAOYSA-N -1 0 353.339 -0.017 20 0 FBADRM COc1ncc(NC(=O)C(=O)[N-]OCC(N)=O)c(C)c1Br ZINC000850434698 661281165 /nfs/dbraw/zinc/28/11/65/661281165.db2.gz WTPOLQWGKWVZHR-UHFFFAOYSA-N -1 0 361.152 -0.367 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cncc(OCC(F)(F)F)n1 ZINC000850475803 661281376 /nfs/dbraw/zinc/28/13/76/661281376.db2.gz DNHMZDNYRXHJCY-UHFFFAOYSA-N -1 0 365.268 -0.460 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2cn(C)nn2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000850730074 661288208 /nfs/dbraw/zinc/28/82/08/661288208.db2.gz MEIQVLBPHSZBMN-SFYZADRCSA-N -1 0 362.312 -0.331 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2cnnn2C)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000850730134 661288306 /nfs/dbraw/zinc/28/83/06/661288306.db2.gz OMYYVTMRMLQMAM-SFYZADRCSA-N -1 0 362.312 -0.331 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)Nc2ncn(C)n2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000850730907 661288552 /nfs/dbraw/zinc/28/85/52/661288552.db2.gz YNMIAQKAYOAOSC-SFYZADRCSA-N -1 0 362.312 -0.331 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C2(n3cnnn3)CCOCC2)cc1 ZINC000850731220 661288425 /nfs/dbraw/zinc/28/84/25/661288425.db2.gz MWYHRGMLVONNJT-UHFFFAOYSA-N -1 0 351.388 -0.008 20 0 FBADRM Cc1ccccc1S(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCOCC1 ZINC000850732078 661288431 /nfs/dbraw/zinc/28/84/31/661288431.db2.gz PPWNLXKNYBYSGO-UHFFFAOYSA-N -1 0 351.388 -0.008 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc(F)cc1)C1(n2cnnn2)CCOCC1 ZINC000850732230 661288508 /nfs/dbraw/zinc/28/85/08/661288508.db2.gz SDPYCRCPRIHVKJ-UHFFFAOYSA-N -1 0 355.351 -0.177 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CC1(n2cnnn2)CCOCC1 ZINC000850733982 661288471 /nfs/dbraw/zinc/28/84/71/661288471.db2.gz BIXSSJVQMKZCBG-UHFFFAOYSA-N -1 0 370.391 -0.321 20 0 FBADRM COCCCOCCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000850734313 661288581 /nfs/dbraw/zinc/28/85/81/661288581.db2.gz NCDCPUXXONPGTH-UHFFFAOYSA-N -1 0 369.403 -0.090 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)[C@H]1CCOC1 ZINC000850734398 661288476 /nfs/dbraw/zinc/28/84/76/661288476.db2.gz QBSVBCZBCZYFME-GWCFXTLKSA-N -1 0 367.387 -0.481 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)[C@H]1CCOC1 ZINC000850734399 661288571 /nfs/dbraw/zinc/28/85/71/661288571.db2.gz QBSVBCZBCZYFME-GXFFZTMASA-N -1 0 367.387 -0.481 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)[C@@H]1CCOC1 ZINC000850734400 661288494 /nfs/dbraw/zinc/28/84/94/661288494.db2.gz QBSVBCZBCZYFME-MFKMUULPSA-N -1 0 367.387 -0.481 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)[C@@H]1CCOC1 ZINC000850734401 661288576 /nfs/dbraw/zinc/28/85/76/661288576.db2.gz QBSVBCZBCZYFME-ZWNOBZJWSA-N -1 0 367.387 -0.481 20 0 FBADRM Cc1cccc(S(=O)(=O)[N-]C(=O)C2(n3cnnn3)CCOCC2)c1 ZINC000850735274 661288515 /nfs/dbraw/zinc/28/85/15/661288515.db2.gz SWANUSOJHNYACP-UHFFFAOYSA-N -1 0 351.388 -0.008 20 0 FBADRM COC[C@@H](OC)C(=O)[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O ZINC000850735705 661288557 /nfs/dbraw/zinc/28/85/57/661288557.db2.gz GVRBVLAFKYYIIF-GFCCVEGCSA-N -1 0 370.383 -0.610 20 0 FBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O ZINC000850735708 661288586 /nfs/dbraw/zinc/28/85/86/661288586.db2.gz GVRBVLAFKYYIIF-LBPRGKRZSA-N -1 0 370.383 -0.610 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CN1CCN(C2CC2)C1=O ZINC000850735854 661288462 /nfs/dbraw/zinc/28/84/62/661288462.db2.gz DJYGZBFTRBDDHU-UHFFFAOYSA-N -1 0 355.420 -0.258 20 0 FBADRM O=C([N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000850735976 661288489 /nfs/dbraw/zinc/28/84/89/661288489.db2.gz IOPBVPOHUMLUHA-ITGUQSILSA-N -1 0 364.379 -0.379 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)Cn2cc(C3CC3)cn2)cc1C(N)=O ZINC000850735999 661288574 /nfs/dbraw/zinc/28/85/74/661288574.db2.gz JNQNBAAXDVCRPH-UHFFFAOYSA-N -1 0 351.388 -0.297 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)C1(n2cnnn2)CCOCC1 ZINC000850736205 661288444 /nfs/dbraw/zinc/28/84/44/661288444.db2.gz HSXFFUNBJUIPCI-UHFFFAOYSA-N -1 0 369.378 -0.036 20 0 FBADRM CCOCCOCCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000850736588 661288550 /nfs/dbraw/zinc/28/85/50/661288550.db2.gz PVMCTRHXJHJOMO-UHFFFAOYSA-N -1 0 361.420 -0.238 20 0 FBADRM CC(=O)N[C@H](CCC(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000850736636 661288504 /nfs/dbraw/zinc/28/85/04/661288504.db2.gz QLTARHTUFXTRBB-GFCCVEGCSA-N -1 0 372.447 -0.130 20 0 FBADRM CC(=O)N[C@@H](CCC(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000850736637 661288569 /nfs/dbraw/zinc/28/85/69/661288569.db2.gz QLTARHTUFXTRBB-LBPRGKRZSA-N -1 0 372.447 -0.130 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2c(C3CC3)cnn2C)cc1C(N)=O ZINC000850737402 661288521 /nfs/dbraw/zinc/28/85/21/661288521.db2.gz YRWSHWHMCSLRRC-UHFFFAOYSA-N -1 0 351.388 -0.146 20 0 FBADRM O=C(CC1(n2cnnn2)CCOCC1)[N-]S(=O)(=O)c1cccnc1 ZINC000850737754 661288564 /nfs/dbraw/zinc/28/85/64/661288564.db2.gz TTWZFYCNZLTLLH-UHFFFAOYSA-N -1 0 352.376 -0.531 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000850737755 661288499 /nfs/dbraw/zinc/28/84/99/661288499.db2.gz TWKRISJDMSRKFU-UHFFFAOYSA-N -1 0 355.424 -0.174 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc(F)c(F)c1)C1(n2cnnn2)CCOCC1 ZINC000850738524 661288437 /nfs/dbraw/zinc/28/84/37/661288437.db2.gz CLDHYSRSUNVKMO-UHFFFAOYSA-N -1 0 373.341 -0.038 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)C2(n3cnnn3)CCOCC2)cc1 ZINC000850739725 661288588 /nfs/dbraw/zinc/28/85/88/661288588.db2.gz XSSITHCCQTUFAR-UHFFFAOYSA-N -1 0 367.387 -0.308 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccccc1F)C1(n2cnnn2)CCOCC1 ZINC000850740031 661288533 /nfs/dbraw/zinc/28/85/33/661288533.db2.gz PWIWPQOSGWQQAS-UHFFFAOYSA-N -1 0 355.351 -0.177 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1ccccc1)C1(n2cnnn2)CCOCC1 ZINC000850740325 661288584 /nfs/dbraw/zinc/28/85/84/661288584.db2.gz VRMLFFPANLTQRE-UHFFFAOYSA-N -1 0 351.388 -0.175 20 0 FBADRM COC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000850782773 661288906 /nfs/dbraw/zinc/28/89/06/661288906.db2.gz QJXSQKYLZZFGPY-LLVKDONJSA-N -1 0 355.376 -0.657 20 0 FBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000850782774 661288885 /nfs/dbraw/zinc/28/88/85/661288885.db2.gz QJXSQKYLZZFGPY-NSHDSACASA-N -1 0 355.376 -0.657 20 0 FBADRM COC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000850782937 661288862 /nfs/dbraw/zinc/28/88/62/661288862.db2.gz SQRDDOVEDPQBBW-LLVKDONJSA-N -1 0 351.402 -0.444 20 0 FBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000850782941 661288762 /nfs/dbraw/zinc/28/87/62/661288762.db2.gz SQRDDOVEDPQBBW-NSHDSACASA-N -1 0 351.402 -0.444 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1 ZINC000850783992 661288876 /nfs/dbraw/zinc/28/88/76/661288876.db2.gz SNOIHIUGTCMSLK-UHFFFAOYSA-N -1 0 370.387 -0.788 20 0 FBADRM CCN(CC)C(=O)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000850784382 661288891 /nfs/dbraw/zinc/28/88/91/661288891.db2.gz YLCMHHFVBWKICT-UHFFFAOYSA-N -1 0 353.379 -0.374 20 0 FBADRM CCC1N=NC(=S)N1CCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000850786279 661288802 /nfs/dbraw/zinc/28/88/02/661288802.db2.gz JNIHVNSRVHSERM-UHFFFAOYSA-N -1 0 364.387 -0.023 20 0 FBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCCS(=O)(=O)CC1CC1 ZINC000850786426 661288860 /nfs/dbraw/zinc/28/88/60/661288860.db2.gz SDOMIDHMWKQXMZ-UHFFFAOYSA-N -1 0 355.372 -0.341 20 0 FBADRM COC(=O)N1CC(NC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1 ZINC000850786435 661288844 /nfs/dbraw/zinc/28/88/44/661288844.db2.gz LUFDXNLKFPQMSN-UHFFFAOYSA-N -1 0 353.335 -0.792 20 0 FBADRM CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000850786436 661288880 /nfs/dbraw/zinc/28/88/80/661288880.db2.gz AFURBVUBTDXSID-UHFFFAOYSA-N -1 0 357.388 0.000 20 0 FBADRM CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC000850787072 661288849 /nfs/dbraw/zinc/28/88/49/661288849.db2.gz SCHHLBITSPLFAG-UHFFFAOYSA-N -1 0 357.388 0.000 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NC[C@@H]2COC(C)(C)O2)n1 ZINC000850787447 661288819 /nfs/dbraw/zinc/28/88/19/661288819.db2.gz YUBLPKMFGCCLDS-SECBINFHSA-N -1 0 354.363 -0.091 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NC[C@H]2COC(C)(C)O2)n1 ZINC000850787448 661288847 /nfs/dbraw/zinc/28/88/47/661288847.db2.gz YUBLPKMFGCCLDS-VIFPVBQESA-N -1 0 354.363 -0.091 20 0 FBADRM CS(=O)(=O)CCN(C(=O)C(=O)Nc1cccnc1C(=O)[O-])C1CC1 ZINC000850787763 661288873 /nfs/dbraw/zinc/28/88/73/661288873.db2.gz ZKDKHVGAHBXRBA-UHFFFAOYSA-N -1 0 355.372 -0.246 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cnc3n2CCC3)CC1 ZINC000850787841 661288807 /nfs/dbraw/zinc/28/88/07/661288807.db2.gz CLJLROUAODIGLT-UHFFFAOYSA-N -1 0 356.404 -0.311 20 0 FBADRM COCCCOCCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000850787842 661288747 /nfs/dbraw/zinc/28/87/47/661288747.db2.gz CMBLSGIFBLMPGL-UHFFFAOYSA-N -1 0 366.436 -0.324 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2nnn(C(C)(C)C)n2)CC1 ZINC000850787879 661288813 /nfs/dbraw/zinc/28/88/13/661288813.db2.gz DXZKETUDRBNIFG-UHFFFAOYSA-N -1 0 374.423 -0.712 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CC[C@@](O)(C(F)F)C2)n1 ZINC000850787921 661288757 /nfs/dbraw/zinc/28/87/57/661288757.db2.gz GQEIGCOMMOLWBC-AWEZNQCLSA-N -1 0 360.317 -0.130 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CC[C@](O)(C(F)F)C2)n1 ZINC000850787922 661288816 /nfs/dbraw/zinc/28/88/16/661288816.db2.gz GQEIGCOMMOLWBC-CQSZACIVSA-N -1 0 360.317 -0.130 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2c(Cl)cnn2C)CC1 ZINC000850787937 661288888 /nfs/dbraw/zinc/28/88/88/661288888.db2.gz HARRXXIYRUNFNZ-UHFFFAOYSA-N -1 0 364.811 -0.067 20 0 FBADRM CN1C(=O)CO[C@H](C(=O)[N-]S(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 ZINC000850788019 661288901 /nfs/dbraw/zinc/28/89/01/661288901.db2.gz JOWDMKXLVGRGSU-KGLIPLIRSA-N -1 0 368.415 -0.563 20 0 FBADRM C[C@@]1(c2ccc(C(=O)[N-]S(=O)(=O)N3CCCC3)cc2)NC(=O)NC1=O ZINC000850788458 661288835 /nfs/dbraw/zinc/28/88/35/661288835.db2.gz CPTXYCCUAPHWHU-HNNXBMFYSA-N -1 0 366.399 -0.188 20 0 FBADRM C[C@]1(c2ccc(C(=O)[N-]S(=O)(=O)N3CCCC3)cc2)NC(=O)NC1=O ZINC000850788459 661288883 /nfs/dbraw/zinc/28/88/83/661288883.db2.gz CPTXYCCUAPHWHU-OAHLLOKOSA-N -1 0 366.399 -0.188 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@@H](OC)[C@@H]2CCOC2)CC1 ZINC000850788553 661288903 /nfs/dbraw/zinc/28/89/03/661288903.db2.gz YXEAGGYITCDKRG-NEPJUHHUSA-N -1 0 364.420 -0.716 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@H](OC)[C@H]2CCOC2)CC1 ZINC000850788554 661288878 /nfs/dbraw/zinc/28/88/78/661288878.db2.gz YXEAGGYITCDKRG-NWDGAFQWSA-N -1 0 364.420 -0.716 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@@H](OC)[C@H]2CCOC2)CC1 ZINC000850788555 661288833 /nfs/dbraw/zinc/28/88/33/661288833.db2.gz YXEAGGYITCDKRG-RYUDHWBXSA-N -1 0 364.420 -0.716 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@H](OC)[C@@H]2CCOC2)CC1 ZINC000850788556 661288790 /nfs/dbraw/zinc/28/87/90/661288790.db2.gz YXEAGGYITCDKRG-VXGBXAGGSA-N -1 0 364.420 -0.716 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1ccc(OCCS(C)(=O)=O)cc1)C(=O)[O-] ZINC000850788906 661288798 /nfs/dbraw/zinc/28/87/98/661288798.db2.gz KBOXNDFBESKONW-SECBINFHSA-N -1 0 358.372 -0.362 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1ccc(OCCS(C)(=O)=O)cc1)C(=O)[O-] ZINC000850788907 661288842 /nfs/dbraw/zinc/28/88/42/661288842.db2.gz KBOXNDFBESKONW-VIFPVBQESA-N -1 0 358.372 -0.362 20 0 FBADRM O=C(CC1(n2cnnn2)CCOCC1)[N-]S(=O)(=O)N1CCCCC1 ZINC000850789371 661288780 /nfs/dbraw/zinc/28/87/80/661288780.db2.gz QAGOOXDPHBJBAS-UHFFFAOYSA-N -1 0 358.424 -0.584 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)Nc1ccc(OCCS(C)(=O)=O)cc1 ZINC000850792727 661288809 /nfs/dbraw/zinc/28/88/09/661288809.db2.gz ZAMDTPZOWCHUFQ-UHFFFAOYSA-N -1 0 372.399 -0.018 20 0 FBADRM CN(C)C(=O)OCCNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000850793965 661288839 /nfs/dbraw/zinc/28/88/39/661288839.db2.gz HJVPGEVTFIFVJL-UHFFFAOYSA-N -1 0 355.351 -0.544 20 0 FBADRM COC(=O)N(C)CCNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000850795313 661288825 /nfs/dbraw/zinc/28/88/25/661288825.db2.gz CCFALVBCEBFJIQ-UHFFFAOYSA-N -1 0 355.351 -0.544 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)CN2CCN(C3CC3)C2=O)c1Cl ZINC000850798097 661288868 /nfs/dbraw/zinc/28/88/68/661288868.db2.gz HSWOJUFPUUMWTP-UHFFFAOYSA-N -1 0 361.811 -0.222 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)Cc2nnn(C(C)(C)C)n2)c1Cl ZINC000850798361 661288770 /nfs/dbraw/zinc/28/87/70/661288770.db2.gz OSBWVLDBDFPQFO-UHFFFAOYSA-N -1 0 361.815 -0.137 20 0 FBADRM COc1cccc(S(=O)(=O)[N-]C(=O)C2(n3cnnn3)CCOCC2)c1 ZINC000850799440 661288854 /nfs/dbraw/zinc/28/88/54/661288854.db2.gz ZNEGMHSTNQUAKI-UHFFFAOYSA-N -1 0 367.387 -0.308 20 0 FBADRM O=C([N-]S(=O)(=O)CCc1ccccc1)C1(n2cnnn2)CCOCC1 ZINC000850803927 661289101 /nfs/dbraw/zinc/28/91/01/661289101.db2.gz YOJAMOJITLYATM-UHFFFAOYSA-N -1 0 365.415 -0.133 20 0 FBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZINC000850807976 661289003 /nfs/dbraw/zinc/28/90/03/661289003.db2.gz DZNGPBIYENWSCV-HNNXBMFYSA-N -1 0 371.459 -0.173 20 0 FBADRM COC[C@@H](OC)C(=O)[N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZINC000850807978 661289122 /nfs/dbraw/zinc/28/91/22/661289122.db2.gz DZNGPBIYENWSCV-OAHLLOKOSA-N -1 0 371.459 -0.173 20 0 FBADRM O=C(CC1(n2cnnn2)CCOCC1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000850810051 661289194 /nfs/dbraw/zinc/28/91/94/661289194.db2.gz GBSULOZJHRQMTJ-GFCCVEGCSA-N -1 0 373.435 -0.416 20 0 FBADRM O=C(CC1(n2cnnn2)CCOCC1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000850810054 661289026 /nfs/dbraw/zinc/28/90/26/661289026.db2.gz GBSULOZJHRQMTJ-LBPRGKRZSA-N -1 0 373.435 -0.416 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)C1(n2cnnn2)CCOCC1 ZINC000850811464 661289034 /nfs/dbraw/zinc/28/90/34/661289034.db2.gz DLIKZOQYNQBAOH-LLVKDONJSA-N -1 0 359.408 -0.806 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)C1(n2cnnn2)CCOCC1 ZINC000850811465 661289167 /nfs/dbraw/zinc/28/91/67/661289167.db2.gz DLIKZOQYNQBAOH-NSHDSACASA-N -1 0 359.408 -0.806 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cnc2n1CCC2 ZINC000850827851 661289375 /nfs/dbraw/zinc/28/93/75/661289375.db2.gz CVYCAQPBTDHWJC-JTQLQIEISA-N -1 0 356.404 -0.169 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cnc2n1CCC2 ZINC000850827852 661289386 /nfs/dbraw/zinc/28/93/86/661289386.db2.gz CVYCAQPBTDHWJC-SNVBAGLBSA-N -1 0 356.404 -0.169 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000850828269 661289416 /nfs/dbraw/zinc/28/94/16/661289416.db2.gz KSCFUECMODCKKS-SECBINFHSA-N -1 0 374.423 -0.570 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000850828270 661289409 /nfs/dbraw/zinc/28/94/09/661289409.db2.gz KSCFUECMODCKKS-VIFPVBQESA-N -1 0 374.423 -0.570 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCOCCCOC ZINC000850828273 661289442 /nfs/dbraw/zinc/28/94/42/661289442.db2.gz KSZBWAFWSXFRBG-GFCCVEGCSA-N -1 0 366.436 -0.182 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCOCCCOC ZINC000850828275 661289394 /nfs/dbraw/zinc/28/93/94/661289394.db2.gz KSZBWAFWSXFRBG-LBPRGKRZSA-N -1 0 366.436 -0.182 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCc1cn(C)nn1 ZINC000850828302 661289388 /nfs/dbraw/zinc/28/93/88/661289388.db2.gz KZCIORORHSOMBA-LLVKDONJSA-N -1 0 359.408 -0.864 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCc1cn(C)nn1 ZINC000850828307 661289406 /nfs/dbraw/zinc/28/94/06/661289406.db2.gz KZCIORORHSOMBA-NSHDSACASA-N -1 0 359.408 -0.864 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccn2nnnc2c1 ZINC000850828427 661289401 /nfs/dbraw/zinc/28/94/01/661289401.db2.gz LYDILZTZQCXZHM-JTQLQIEISA-N -1 0 368.375 -0.874 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccn2nnnc2c1 ZINC000850828429 661289683 /nfs/dbraw/zinc/28/96/83/661289683.db2.gz LYDILZTZQCXZHM-SNVBAGLBSA-N -1 0 368.375 -0.874 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000850828515 661289708 /nfs/dbraw/zinc/28/97/08/661289708.db2.gz NJFSIFKBFSRXPD-UONOGXRCSA-N -1 0 370.431 -0.319 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](OC)[C@@H]1CCOC1 ZINC000850828528 661289743 /nfs/dbraw/zinc/28/97/43/661289743.db2.gz NUWCZLUURUPGBF-GRYCIOLGSA-N -1 0 364.420 -0.574 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](OC)[C@H]1CCOC1 ZINC000850828530 661289697 /nfs/dbraw/zinc/28/96/97/661289697.db2.gz NUWCZLUURUPGBF-SDDRHHMPSA-N -1 0 364.420 -0.574 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](OC)[C@H]1CCOC1 ZINC000850828531 661289739 /nfs/dbraw/zinc/28/97/39/661289739.db2.gz NUWCZLUURUPGBF-SRVKXCTJSA-N -1 0 364.420 -0.574 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC000850828533 661289721 /nfs/dbraw/zinc/28/97/21/661289721.db2.gz NUWCZLUURUPGBF-WOPDTQHZSA-N -1 0 364.420 -0.574 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cnc2n1CCOC2 ZINC000850828739 661289666 /nfs/dbraw/zinc/28/96/66/661289666.db2.gz TUIAECFIXVJQFB-JTQLQIEISA-N -1 0 372.403 -0.585 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cnc2n1CCOC2 ZINC000850828740 661289727 /nfs/dbraw/zinc/28/97/27/661289727.db2.gz TUIAECFIXVJQFB-SNVBAGLBSA-N -1 0 372.403 -0.585 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000850833440 661289757 /nfs/dbraw/zinc/28/97/57/661289757.db2.gz LINYTSHVGRLQKH-HTQZYQBOSA-N -1 0 363.310 -0.411 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC000850833444 661289941 /nfs/dbraw/zinc/28/99/41/661289941.db2.gz LINYTSHVGRLQKH-JGVFFNPUSA-N -1 0 363.310 -0.411 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000850833446 661290030 /nfs/dbraw/zinc/29/00/30/661290030.db2.gz LINYTSHVGRLQKH-SFYZADRCSA-N -1 0 363.310 -0.411 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC000850833447 661289897 /nfs/dbraw/zinc/28/98/97/661289897.db2.gz LINYTSHVGRLQKH-YUMQZZPRSA-N -1 0 363.310 -0.411 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000850833936 661289907 /nfs/dbraw/zinc/28/99/07/661289907.db2.gz VLOVUMYOQNCWBC-UONOGXRCSA-N -1 0 371.415 -0.538 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000850834920 661290014 /nfs/dbraw/zinc/29/00/14/661290014.db2.gz OCOOQZDXIHDIOT-QWHCGFSZSA-N -1 0 357.388 -0.928 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000850835207 661289881 /nfs/dbraw/zinc/28/98/81/661289881.db2.gz OELJJOHUHZPIPN-HNNXBMFYSA-N -1 0 369.399 -0.163 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000850835208 661290038 /nfs/dbraw/zinc/29/00/38/661290038.db2.gz OELJJOHUHZPIPN-OAHLLOKOSA-N -1 0 369.399 -0.163 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000850836694 661290055 /nfs/dbraw/zinc/29/00/55/661290055.db2.gz HQNVJUURGBIFOA-AWEZNQCLSA-N -1 0 355.372 -0.553 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000850836695 661289958 /nfs/dbraw/zinc/28/99/58/661289958.db2.gz HQNVJUURGBIFOA-CQSZACIVSA-N -1 0 355.372 -0.553 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc(Cl)cn1)C1(n2cnnn2)CCOCC1 ZINC000850836746 661289996 /nfs/dbraw/zinc/28/99/96/661289996.db2.gz DMJQORPZMINSKN-UHFFFAOYSA-N -1 0 372.794 -0.268 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2nnn(C(C)(C)C)n2)cc1C(N)=O ZINC000850836985 661290070 /nfs/dbraw/zinc/29/00/70/661290070.db2.gz FWBSTFIUFACPED-UHFFFAOYSA-N -1 0 366.403 -0.046 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CN2CCN(C3CC3)C2=O)s1 ZINC000850837465 661289903 /nfs/dbraw/zinc/28/99/03/661289903.db2.gz JSEWSBQSQQJVAA-UHFFFAOYSA-N -1 0 372.428 -0.448 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cnc3n2CCOC3)cc1C(N)=O ZINC000850838632 661289946 /nfs/dbraw/zinc/28/99/46/661289946.db2.gz VIWCQKRVFVYUGP-UHFFFAOYSA-N -1 0 364.383 -0.061 20 0 FBADRM CN1C(=O)CO[C@H](C(=O)[N-]S(=O)(=O)CC2CC2)[C@H]1c1cccnc1 ZINC000850838868 661289920 /nfs/dbraw/zinc/28/99/20/661289920.db2.gz KUAJVSLDEMIJNF-KGLIPLIRSA-N -1 0 353.400 -0.164 20 0 FBADRM CC(C)(C)n1nnc(C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)n1 ZINC000850838903 661290046 /nfs/dbraw/zinc/29/00/46/661290046.db2.gz XNIAHAZPVDHSSG-UHFFFAOYSA-N -1 0 358.405 -0.293 20 0 FBADRM CC(C)(C)n1nnc(CC(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)n1 ZINC000850838907 661290022 /nfs/dbraw/zinc/29/00/22/661290022.db2.gz XUEAFWZPBQXOFR-UHFFFAOYSA-N -1 0 372.432 -0.364 20 0 FBADRM Cc1ccnc(S(=O)(=O)[N-]C(=O)CC2(n3cnnn3)CCOCC2)c1 ZINC000850840679 661290052 /nfs/dbraw/zinc/29/00/52/661290052.db2.gz ACGJWRCHDLOVOI-UHFFFAOYSA-N -1 0 366.403 -0.223 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000850841515 661289966 /nfs/dbraw/zinc/28/99/66/661289966.db2.gz CUDROEZEVLRDST-BJOHPYRUSA-N -1 0 369.399 -0.164 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000850841516 661289909 /nfs/dbraw/zinc/28/99/09/661289909.db2.gz CUDROEZEVLRDST-PSLIRLAXSA-N -1 0 369.399 -0.164 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000850841517 661290004 /nfs/dbraw/zinc/29/00/04/661290004.db2.gz CUDROEZEVLRDST-RFAUZJTJSA-N -1 0 369.399 -0.164 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000850841518 661289953 /nfs/dbraw/zinc/28/99/53/661289953.db2.gz CUDROEZEVLRDST-VFZGTOFNSA-N -1 0 369.399 -0.164 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)C1CCN(C(=O)OC)CC1 ZINC000850841858 661289932 /nfs/dbraw/zinc/28/99/32/661289932.db2.gz PYXCYVWEDHIIBQ-UHFFFAOYSA-N -1 0 350.393 -0.136 20 0 FBADRM Cc1ccnc(S(=O)(=O)[N-]C(=O)C2(n3cnnn3)CCOCC2)c1 ZINC000850841968 661290073 /nfs/dbraw/zinc/29/00/73/661290073.db2.gz QSGGUNONCWYPRK-UHFFFAOYSA-N -1 0 352.376 -0.613 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000850842048 661289900 /nfs/dbraw/zinc/28/99/00/661289900.db2.gz AQNGQPZFSHMAMV-DDTOSNHZSA-N -1 0 371.415 -0.539 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000850842053 661290033 /nfs/dbraw/zinc/29/00/33/661290033.db2.gz AQNGQPZFSHMAMV-LEWSCRJBSA-N -1 0 371.415 -0.539 20 0 FBADRM CN1C(=O)CO[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)[C@H]1c1cccnc1 ZINC000850844340 661290216 /nfs/dbraw/zinc/29/02/16/661290216.db2.gz XPTIPYBIDJZINV-BNOWGMLFSA-N -1 0 369.399 -0.785 20 0 FBADRM CN1C(=O)CO[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)[C@H]1c1cccnc1 ZINC000850844348 661290342 /nfs/dbraw/zinc/29/03/42/661290342.db2.gz XPTIPYBIDJZINV-YUTCNCBUSA-N -1 0 369.399 -0.785 20 0 FBADRM C[C@@]1(c2ccc(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)cc2)NC(=O)NC1=O ZINC000850844484 661290250 /nfs/dbraw/zinc/29/02/50/661290250.db2.gz YPFQSNRGYWNELV-ABAIWWIYSA-N -1 0 367.383 -0.410 20 0 FBADRM C[C@]1(c2ccc(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)cc2)NC(=O)NC1=O ZINC000850844485 661290316 /nfs/dbraw/zinc/29/03/16/661290316.db2.gz YPFQSNRGYWNELV-IAQYHMDHSA-N -1 0 367.383 -0.410 20 0 FBADRM C[C@@]1(c2ccc(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)cc2)NC(=O)NC1=O ZINC000850844486 661290332 /nfs/dbraw/zinc/29/03/32/661290332.db2.gz YPFQSNRGYWNELV-NHYWBVRUSA-N -1 0 367.383 -0.410 20 0 FBADRM C[C@]1(c2ccc(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)cc2)NC(=O)NC1=O ZINC000850844487 661290296 /nfs/dbraw/zinc/29/02/96/661290296.db2.gz YPFQSNRGYWNELV-XHDPSFHLSA-N -1 0 367.383 -0.410 20 0 FBADRM COC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000850848368 661290323 /nfs/dbraw/zinc/29/03/23/661290323.db2.gz RYAVFYUCWJCWNJ-LLVKDONJSA-N -1 0 351.402 -0.444 20 0 FBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000850848370 661290307 /nfs/dbraw/zinc/29/03/07/661290307.db2.gz RYAVFYUCWJCWNJ-NSHDSACASA-N -1 0 351.402 -0.444 20 0 FBADRM O=C(CC1(n2cnnn2)CCOCC1)[N-]S(=O)(=O)c1ccccn1 ZINC000850848674 661290327 /nfs/dbraw/zinc/29/03/27/661290327.db2.gz WCGPEMOVLFNUQO-UHFFFAOYSA-N -1 0 352.376 -0.531 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)[C@@H]1CCOC1 ZINC000850849135 661290235 /nfs/dbraw/zinc/29/02/35/661290235.db2.gz QWGCTQWSOFZKNY-BXUZGUMPSA-N -1 0 368.411 -0.171 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)[C@H]1CCOC1 ZINC000850849136 661290290 /nfs/dbraw/zinc/29/02/90/661290290.db2.gz QWGCTQWSOFZKNY-FZMZJTMJSA-N -1 0 368.411 -0.171 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)[C@@H]1CCOC1 ZINC000850849137 661290344 /nfs/dbraw/zinc/29/03/44/661290344.db2.gz QWGCTQWSOFZKNY-RISCZKNCSA-N -1 0 368.411 -0.171 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)[C@H]1CCOC1 ZINC000850849138 661290278 /nfs/dbraw/zinc/29/02/78/661290278.db2.gz QWGCTQWSOFZKNY-SMDDNHRTSA-N -1 0 368.411 -0.171 20 0 FBADRM COc1ccccc1S(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCOCC1 ZINC000850858653 661290246 /nfs/dbraw/zinc/29/02/46/661290246.db2.gz CAZVHTDGFIKGQE-UHFFFAOYSA-N -1 0 367.387 -0.308 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000850861695 661290302 /nfs/dbraw/zinc/29/03/02/661290302.db2.gz ADNRYIHQDNYRLE-AWEZNQCLSA-N -1 0 354.388 -0.333 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000850861696 661290257 /nfs/dbraw/zinc/29/02/57/661290257.db2.gz ADNRYIHQDNYRLE-CQSZACIVSA-N -1 0 354.388 -0.333 20 0 FBADRM COCCOCCOCCCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000850861708 661290253 /nfs/dbraw/zinc/29/02/53/661290253.db2.gz AWHATWOIGCTTHB-UHFFFAOYSA-N -1 0 354.425 -0.861 20 0 FBADRM CO[C@](C)(C(=O)[N-]S(=O)(=O)N1CCOCC1)C(=O)OC(C)(C)C ZINC000850861957 661290321 /nfs/dbraw/zinc/29/03/21/661290321.db2.gz GWNCARRGWXXVRK-CYBMUJFWSA-N -1 0 352.409 -0.574 20 0 FBADRM CO[C@@](C)(C(=O)[N-]S(=O)(=O)N1CCOCC1)C(=O)OC(C)(C)C ZINC000850861958 661290305 /nfs/dbraw/zinc/29/03/05/661290305.db2.gz GWNCARRGWXXVRK-ZDUSSCGKSA-N -1 0 352.409 -0.574 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cccc(Cn2ccnn2)c1 ZINC000850862094 661290293 /nfs/dbraw/zinc/29/02/93/661290293.db2.gz JABIJFOYXISKRH-UHFFFAOYSA-N -1 0 351.388 -0.367 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC000850862413 661290502 /nfs/dbraw/zinc/29/05/02/661290502.db2.gz NTVLWMRXMYETJJ-ZIAGYGMSSA-N -1 0 356.400 -0.164 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cc(-n2ccnn2)ccc1F ZINC000850862754 661290612 /nfs/dbraw/zinc/29/06/12/661290612.db2.gz ULNZTZGYMMXWJX-UHFFFAOYSA-N -1 0 355.351 -0.287 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000850862818 661290512 /nfs/dbraw/zinc/29/05/12/661290512.db2.gz WOSXIRGDVHLYKV-QWHCGFSZSA-N -1 0 356.404 -0.707 20 0 FBADRM O=C(CC1(n2cnnn2)CCOCC1)[N-]S(=O)(=O)CC(F)(F)F ZINC000850863121 661290626 /nfs/dbraw/zinc/29/06/26/661290626.db2.gz GXTQEAVGKSYQEN-UHFFFAOYSA-N -1 0 357.314 -0.423 20 0 FBADRM CN1C(=O)CO[C@H](C(=O)[N-]S(=O)(=O)CCCF)[C@H]1c1cccnc1 ZINC000850871334 661290564 /nfs/dbraw/zinc/29/05/64/661290564.db2.gz SKTUCOFNSPGNTC-OLZOCXBDSA-N -1 0 359.379 -0.215 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(Cn2ccnn2)c1 ZINC000850887758 661290559 /nfs/dbraw/zinc/29/05/59/661290559.db2.gz ADROIRAOTBXKIA-UHFFFAOYSA-N -1 0 353.404 -0.121 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(-n2ccnn2)ccc1F ZINC000850888021 661290546 /nfs/dbraw/zinc/29/05/46/661290546.db2.gz GKKNSAWEVWJJSA-UHFFFAOYSA-N -1 0 357.367 -0.041 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@](C)(OC)C(=O)OC(C)(C)C ZINC000850888858 661290511 /nfs/dbraw/zinc/29/05/11/661290511.db2.gz OITGWEUOWVFFDB-CYBMUJFWSA-N -1 0 354.425 -0.328 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@](C)(OC)C(=O)OC(C)(C)C ZINC000850888860 661290507 /nfs/dbraw/zinc/29/05/07/661290507.db2.gz OITGWEUOWVFFDB-ZDUSSCGKSA-N -1 0 354.425 -0.328 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000850888881 661290631 /nfs/dbraw/zinc/29/06/31/661290631.db2.gz USMJYJVZDRTMLR-UONOGXRCSA-N -1 0 370.431 -0.317 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000850897170 661290624 /nfs/dbraw/zinc/29/06/24/661290624.db2.gz JSWGLJMXPLAWAY-JHJVBQTASA-N -1 0 362.448 -0.210 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12 ZINC000850897171 661290582 /nfs/dbraw/zinc/29/05/82/661290582.db2.gz JSWGLJMXPLAWAY-UPJWGTAASA-N -1 0 362.448 -0.210 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12 ZINC000850897172 661290539 /nfs/dbraw/zinc/29/05/39/661290539.db2.gz JSWGLJMXPLAWAY-XQQFMLRXSA-N -1 0 362.448 -0.210 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000850897173 661290588 /nfs/dbraw/zinc/29/05/88/661290588.db2.gz JSWGLJMXPLAWAY-YNEHKIRRSA-N -1 0 362.448 -0.210 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)C1CCN(C(=O)OC)CC1 ZINC000850897432 661290528 /nfs/dbraw/zinc/29/05/28/661290528.db2.gz NJJZAYVGWGINPP-UHFFFAOYSA-N -1 0 352.409 -0.426 20 0 FBADRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)C2(n3cnnn3)CCOCC2)c1 ZINC000850909826 661290946 /nfs/dbraw/zinc/29/09/46/661290946.db2.gz SWQKZAWRIGMJNG-UHFFFAOYSA-N -1 0 369.407 -0.539 20 0 FBADRM O=C([N-]S(=O)(=O)c1cncc(Cl)c1)C1(n2cnnn2)CCOCC1 ZINC000850910428 661290914 /nfs/dbraw/zinc/29/09/14/661290914.db2.gz FRVYDESOWSWBTF-UHFFFAOYSA-N -1 0 372.794 -0.268 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2cnc3n2CCC3)s1 ZINC000850911070 661290782 /nfs/dbraw/zinc/29/07/82/661290782.db2.gz NITKQALUQXRKEO-UHFFFAOYSA-N -1 0 356.389 -0.242 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2nnn(C(C)(C)C)n2)s1 ZINC000850911363 661290849 /nfs/dbraw/zinc/29/08/49/661290849.db2.gz PTPGRRQXAFCEDZ-UHFFFAOYSA-N -1 0 374.408 -0.643 20 0 FBADRM COCCCOCCC(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000850912032 661290768 /nfs/dbraw/zinc/29/07/68/661290768.db2.gz ZOYILJYBQDPVAM-UHFFFAOYSA-N -1 0 366.421 -0.255 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCc2cn(C)nn2)nc1 ZINC000850912622 661290957 /nfs/dbraw/zinc/29/09/57/661290957.db2.gz DTZRPTWGTBMAME-UHFFFAOYSA-N -1 0 367.387 -0.176 20 0 FBADRM O=C([N-]S(=O)(=O)CCCC(F)(F)F)C1(n2cnnn2)CCOCC1 ZINC000850919629 661290880 /nfs/dbraw/zinc/29/08/80/661290880.db2.gz HEOMATPGTXWKMA-UHFFFAOYSA-N -1 0 371.341 -0.033 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(Cn2ccnn2)c1 ZINC000850920846 661290938 /nfs/dbraw/zinc/29/09/38/661290938.db2.gz JGXVHBCOLXEKCG-UHFFFAOYSA-N -1 0 352.372 -0.051 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CN2CCN(C3CC3)C2=O)nc1C ZINC000850920867 661290931 /nfs/dbraw/zinc/29/09/31/661290931.db2.gz JQACZYHITKSRQN-UHFFFAOYSA-N -1 0 355.420 -0.084 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)C2(n3cnnn3)CCOCC2)nc1C ZINC000850920897 661290941 /nfs/dbraw/zinc/29/09/41/661290941.db2.gz KNRLFPMKMXKJIP-UHFFFAOYSA-N -1 0 369.407 -0.791 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@](C)(OC)C(=O)OC(C)(C)C ZINC000850921712 661290960 /nfs/dbraw/zinc/29/09/60/661290960.db2.gz SWUCNGWXKKGGLT-CYBMUJFWSA-N -1 0 353.393 -0.258 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@](C)(OC)C(=O)OC(C)(C)C ZINC000850921713 661290800 /nfs/dbraw/zinc/29/08/00/661290800.db2.gz SWUCNGWXKKGGLT-ZDUSSCGKSA-N -1 0 353.393 -0.258 20 0 FBADRM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000850923022 661290872 /nfs/dbraw/zinc/29/08/72/661290872.db2.gz NQBQQYWMGPDDIL-WOFXILAISA-N -1 0 374.802 -0.099 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cnc3n2CCOC3)cc1 ZINC000850927122 661290924 /nfs/dbraw/zinc/29/09/24/661290924.db2.gz AABJXPANEHJIIQ-UHFFFAOYSA-N -1 0 364.383 -0.108 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccnc(Cl)c1)C1(n2cnnn2)CCOCC1 ZINC000850927721 661290750 /nfs/dbraw/zinc/29/07/50/661290750.db2.gz IKEVWZABIWZOHC-UHFFFAOYSA-N -1 0 372.794 -0.268 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2nnn(C(C)(C)C)n2)cc1 ZINC000850928913 661290841 /nfs/dbraw/zinc/29/08/41/661290841.db2.gz UULHMSXFASRYDG-UHFFFAOYSA-N -1 0 366.403 -0.094 20 0 FBADRM Cc1cc(S(=O)(=O)[N-]C(=O)C2(n3cnnn3)CCOCC2)c(C)o1 ZINC000850929275 661290888 /nfs/dbraw/zinc/29/08/88/661290888.db2.gz JFPQEZNYNCMFHQ-UHFFFAOYSA-N -1 0 355.376 -0.106 20 0 FBADRM O=C(CC1(n2cnnn2)CCOCC1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000850934069 661290942 /nfs/dbraw/zinc/29/09/42/661290942.db2.gz OZAFMWMWEQOGSX-LLVKDONJSA-N -1 0 359.408 -0.806 20 0 FBADRM O=C(CC1(n2cnnn2)CCOCC1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000850934071 661290826 /nfs/dbraw/zinc/29/08/26/661290826.db2.gz OZAFMWMWEQOGSX-NSHDSACASA-N -1 0 359.408 -0.806 20 0 FBADRM O=C(CC1(n2cnnn2)CCOCC1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000850935131 661290910 /nfs/dbraw/zinc/29/09/10/661290910.db2.gz CRRFAMTVWOZXQR-LLVKDONJSA-N -1 0 359.408 -0.806 20 0 FBADRM O=C(CC1(n2cnnn2)CCOCC1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000850935132 661290954 /nfs/dbraw/zinc/29/09/54/661290954.db2.gz CRRFAMTVWOZXQR-NSHDSACASA-N -1 0 359.408 -0.806 20 0 FBADRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)N1Cc2ccccc2C1=O ZINC000850939687 661291152 /nfs/dbraw/zinc/29/11/52/661291152.db2.gz AZTSXFGOZNFGID-ZDUSSCGKSA-N -1 0 353.400 -0.402 20 0 FBADRM CC(C)(C)n1cc(Br)c(C(=O)[N-]S(=O)(=O)CC(N)=O)n1 ZINC000850939726 661291191 /nfs/dbraw/zinc/29/11/91/661291191.db2.gz CAYLXUQZKOTUOV-UHFFFAOYSA-N -1 0 367.225 -0.055 20 0 FBADRM Cn1c(C(F)(F)F)nc2cncc(C(=O)[N-]S(=O)(=O)CC(N)=O)c21 ZINC000850939768 661291227 /nfs/dbraw/zinc/29/12/27/661291227.db2.gz DIOZORINFPCSOJ-UHFFFAOYSA-N -1 0 365.293 -0.468 20 0 FBADRM CC(C)(C)OC(=O)COc1cccc(C(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000850939872 661291150 /nfs/dbraw/zinc/29/11/50/661291150.db2.gz DJVSLJZKJMDYBF-UHFFFAOYSA-N -1 0 372.399 -0.048 20 0 FBADRM CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000850940037 661291242 /nfs/dbraw/zinc/29/12/42/661291242.db2.gz GYPXGJUUPWQNAX-VIFPVBQESA-N -1 0 367.424 -0.764 20 0 FBADRM CC(C)(C)n1ncc(C(=O)[N-]S(=O)(=O)CC(N)=O)c1Br ZINC000850940423 661291080 /nfs/dbraw/zinc/29/10/80/661291080.db2.gz MCQNZEJYMKDYNU-UHFFFAOYSA-N -1 0 367.225 -0.055 20 0 FBADRM CC(C)(C)OC(=O)CC1(C(=O)[N-]S(=O)(=O)CC(N)=O)CCOCC1 ZINC000850940717 661291231 /nfs/dbraw/zinc/29/12/31/661291231.db2.gz PZCMMLKVTXJMRO-UHFFFAOYSA-N -1 0 364.420 -0.554 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000850940752 661291237 /nfs/dbraw/zinc/29/12/37/661291237.db2.gz RLMXVKVNZGNTLR-UHFFFAOYSA-N -1 0 367.305 -0.339 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000850940776 661291108 /nfs/dbraw/zinc/29/11/08/661291108.db2.gz UCIIZLWMRQFURZ-UHFFFAOYSA-N -1 0 374.404 -0.210 20 0 FBADRM CC(C)(C)OC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000850940935 661291179 /nfs/dbraw/zinc/29/11/79/661291179.db2.gz UZRUWLGHISOCAO-UHFFFAOYSA-N -1 0 372.399 -0.048 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC000850941209 661291134 /nfs/dbraw/zinc/29/11/34/661291134.db2.gz ZFVRUKLAUKHBNJ-SECBINFHSA-N -1 0 357.363 -0.500 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC000850941210 661291116 /nfs/dbraw/zinc/29/11/16/661291116.db2.gz ZFVRUKLAUKHBNJ-VIFPVBQESA-N -1 0 357.363 -0.500 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1cccc(F)c1)C1(n2cnnn2)CCOCC1 ZINC000850942412 661291182 /nfs/dbraw/zinc/29/11/82/661291182.db2.gz DBHFTFKFTQHWBJ-UHFFFAOYSA-N -1 0 369.378 -0.036 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@](C)(OC)C(=O)OC(C)(C)C ZINC000850943206 661291224 /nfs/dbraw/zinc/29/12/24/661291224.db2.gz PMLUDKGVHGERPN-AMIZOPFISA-N -1 0 353.393 -0.259 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@](C)(OC)C(=O)OC(C)(C)C ZINC000850943209 661291093 /nfs/dbraw/zinc/29/10/93/661291093.db2.gz PMLUDKGVHGERPN-ISVAXAHUSA-N -1 0 353.393 -0.259 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@](C)(OC)C(=O)OC(C)(C)C ZINC000850943211 661291214 /nfs/dbraw/zinc/29/12/14/661291214.db2.gz PMLUDKGVHGERPN-OQPBUACISA-N -1 0 353.393 -0.259 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@](C)(OC)C(=O)OC(C)(C)C ZINC000850943214 661291173 /nfs/dbraw/zinc/29/11/73/661291173.db2.gz PMLUDKGVHGERPN-SDBXPKJASA-N -1 0 353.393 -0.259 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(Cn2ccnn2)c1 ZINC000850944042 661291156 /nfs/dbraw/zinc/29/11/56/661291156.db2.gz XZDBDYGWDSBCJF-JTQLQIEISA-N -1 0 352.372 -0.053 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(Cn2ccnn2)c1 ZINC000850944043 661291254 /nfs/dbraw/zinc/29/12/54/661291254.db2.gz XZDBDYGWDSBCJF-SNVBAGLBSA-N -1 0 352.372 -0.053 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CN1CCN(C2CC2)C1=O ZINC000850959350 661291388 /nfs/dbraw/zinc/29/13/88/661291388.db2.gz WTLUHGNQISVMHQ-NXEZZACHSA-N -1 0 361.420 -0.470 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CN1CCN(C2CC2)C1=O ZINC000850959351 661291440 /nfs/dbraw/zinc/29/14/40/661291440.db2.gz WTLUHGNQISVMHQ-UWVGGRQHSA-N -1 0 361.420 -0.470 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CN1CCN(C2CC2)C1=O ZINC000850959352 661291522 /nfs/dbraw/zinc/29/15/22/661291522.db2.gz WTLUHGNQISVMHQ-VHSXEESVSA-N -1 0 361.420 -0.470 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CN1CCN(C2CC2)C1=O ZINC000850959353 661291420 /nfs/dbraw/zinc/29/14/20/661291420.db2.gz WTLUHGNQISVMHQ-ZJUUUORDSA-N -1 0 361.420 -0.470 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000850960071 661291436 /nfs/dbraw/zinc/29/14/36/661291436.db2.gz ZNQOBANEANIMLA-BDAKNGLRSA-N -1 0 361.424 -0.386 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000850960073 661291455 /nfs/dbraw/zinc/29/14/55/661291455.db2.gz ZNQOBANEANIMLA-DTWKUNHWSA-N -1 0 361.424 -0.386 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000850960074 661291502 /nfs/dbraw/zinc/29/15/02/661291502.db2.gz ZNQOBANEANIMLA-IUCAKERBSA-N -1 0 361.424 -0.386 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000850960075 661291360 /nfs/dbraw/zinc/29/13/60/661291360.db2.gz ZNQOBANEANIMLA-RKDXNWHRSA-N -1 0 361.424 -0.386 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)[C@H]3[C@@H]4COC[C@@H]43)cc2n(C)c1=O ZINC000850963540 661291529 /nfs/dbraw/zinc/29/15/29/661291529.db2.gz CSUMNKAGXMKRMS-IWIIMEHWSA-N -1 0 351.384 -0.426 20 0 FBADRM O=C([N-]S(=O)(=O)c1cccc(F)c1F)C1(n2cnnn2)CCOCC1 ZINC000850963691 661291460 /nfs/dbraw/zinc/29/14/60/661291460.db2.gz VEDHBTDZPRINBA-UHFFFAOYSA-N -1 0 373.341 -0.038 20 0 FBADRM COC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000850965341 661291470 /nfs/dbraw/zinc/29/14/70/661291470.db2.gz PSAVSEHCTUZBIV-GFCCVEGCSA-N -1 0 357.388 -0.657 20 0 FBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000850965342 661291555 /nfs/dbraw/zinc/29/15/55/661291555.db2.gz PSAVSEHCTUZBIV-LBPRGKRZSA-N -1 0 357.388 -0.657 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)CN2CCN(C3CC3)C2=O)c(C)nn1C ZINC000850966897 661291476 /nfs/dbraw/zinc/29/14/76/661291476.db2.gz BJEFWPJSRYHEPD-UHFFFAOYSA-N -1 0 371.419 -0.558 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)c2nnn(C(C)(C)C)n2)c(C)nn1C ZINC000850968697 661291550 /nfs/dbraw/zinc/29/15/50/661291550.db2.gz XTUGAFQQQJXKMF-UHFFFAOYSA-N -1 0 357.396 -0.403 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)c2ccn3nnnc3c2)c(C)nn1C ZINC000850968705 661291414 /nfs/dbraw/zinc/29/14/14/661291414.db2.gz XYOUFCJSJUOUQB-UHFFFAOYSA-N -1 0 351.348 -0.706 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn(CC(F)F)c1)c1cnc2n1CCOC2 ZINC000850969898 661291541 /nfs/dbraw/zinc/29/15/41/661291541.db2.gz XLXIKKOGUDYIBD-UHFFFAOYSA-N -1 0 361.330 -0.006 20 0 FBADRM O=C(CN1CCN(C2CC2)C1=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000850971036 661291519 /nfs/dbraw/zinc/29/15/19/661291519.db2.gz GFLFLBMNRXECMW-UHFFFAOYSA-N -1 0 353.404 -0.466 20 0 FBADRM CC(C)(C)n1nnc(CC(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)n1 ZINC000850971710 661291402 /nfs/dbraw/zinc/29/14/02/661291402.db2.gz XJMBNXCAJAGMKF-UHFFFAOYSA-N -1 0 353.408 -0.382 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC000850971733 661291492 /nfs/dbraw/zinc/29/14/92/661291492.db2.gz AWBRUKDQSQCZAR-CHWSQXEVSA-N -1 0 352.372 -0.223 20 0 FBADRM O=C(CN1CCN(C2CC2)C1=O)[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000850972177 661291465 /nfs/dbraw/zinc/29/14/65/661291465.db2.gz NQQNGPHKVMFVAL-UHFFFAOYSA-N -1 0 367.431 -0.002 20 0 FBADRM CN1C(=O)CO[C@H](C(=O)[N-]S(=O)(=O)c2cc[nH]n2)[C@H]1c1cccnc1 ZINC000850974051 661291559 /nfs/dbraw/zinc/29/15/59/661291559.db2.gz BPZFCRKUNKLRBR-OLZOCXBDSA-N -1 0 365.371 -0.792 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)[C@H]3[C@@H]4COC[C@@H]43)cc2C1=O ZINC000850974147 661291383 /nfs/dbraw/zinc/29/13/83/661291383.db2.gz CGFQBRVGGSIQMZ-GDNZZTSVSA-N -1 0 350.352 -0.390 20 0 FBADRM COC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000850976082 661291354 /nfs/dbraw/zinc/29/13/54/661291354.db2.gz RFNQUHPYMWYRLS-LLVKDONJSA-N -1 0 356.356 -0.621 20 0 FBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000850976083 661291499 /nfs/dbraw/zinc/29/14/99/661291499.db2.gz RFNQUHPYMWYRLS-NSHDSACASA-N -1 0 356.356 -0.621 20 0 FBADRM O=C(CC1(n2cnnn2)CCOCC1)[N-]S(=O)(=O)c1ncccc1F ZINC000850982399 661291443 /nfs/dbraw/zinc/29/14/43/661291443.db2.gz MYOMLVRBMUEALP-UHFFFAOYSA-N -1 0 370.366 -0.392 20 0 FBADRM O=C([N-]S(=O)(=O)c1ncccc1F)C1(n2cnnn2)CCOCC1 ZINC000850982469 661291378 /nfs/dbraw/zinc/29/13/78/661291378.db2.gz PTGBDDWSHAWJJJ-UHFFFAOYSA-N -1 0 356.339 -0.782 20 0 FBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)CC2(n3cnnn3)CCOCC2)s1 ZINC000850984945 661291534 /nfs/dbraw/zinc/29/15/34/661291534.db2.gz KEPMRBHSVWMUBA-UHFFFAOYSA-N -1 0 372.432 -0.161 20 0 FBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)C2(n3cnnn3)CCOCC2)s1 ZINC000850985587 661291425 /nfs/dbraw/zinc/29/14/25/661291425.db2.gz ROPKRPRZDFLXQH-UHFFFAOYSA-N -1 0 358.405 -0.551 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)C2(n3cnnn3)CCOCC2)cn1 ZINC000850987623 661291512 /nfs/dbraw/zinc/29/15/12/661291512.db2.gz MRMXSFMLDLFQOJ-UHFFFAOYSA-N -1 0 368.375 -0.913 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)Cc2nnn(C(C)(C)C)n2)cn1 ZINC000850987673 661291392 /nfs/dbraw/zinc/29/13/92/661291392.db2.gz OIEZAHKJWJBDIY-UHFFFAOYSA-N -1 0 354.392 -0.121 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CN2CCN(C3CC3)C2=O)cn1 ZINC000850988020 661291505 /nfs/dbraw/zinc/29/15/05/661291505.db2.gz ZCYFMUQALHWJHR-UHFFFAOYSA-N -1 0 354.388 -0.205 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000850988212 661291525 /nfs/dbraw/zinc/29/15/25/661291525.db2.gz IZSNILNSKNMYEL-DDTOSNHZSA-N -1 0 371.415 -0.539 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000850988213 661291431 /nfs/dbraw/zinc/29/14/31/661291431.db2.gz IZSNILNSKNMYEL-LEWSCRJBSA-N -1 0 371.415 -0.539 20 0 FBADRM CN1C(=O)CO[C@H](C(=O)[N-]S(=O)(=O)C2CCC2)[C@H]1c1cccnc1 ZINC000850989417 661291811 /nfs/dbraw/zinc/29/18/11/661291811.db2.gz NUMXVUGGTUDMPD-KGLIPLIRSA-N -1 0 353.400 -0.022 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000850990445 661291681 /nfs/dbraw/zinc/29/16/81/661291681.db2.gz KTLCXTATEZSYMA-BJOHPYRUSA-N -1 0 369.399 -0.164 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000850990446 661291718 /nfs/dbraw/zinc/29/17/18/661291718.db2.gz KTLCXTATEZSYMA-PSLIRLAXSA-N -1 0 369.399 -0.164 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000850990447 661291801 /nfs/dbraw/zinc/29/18/01/661291801.db2.gz KTLCXTATEZSYMA-RFAUZJTJSA-N -1 0 369.399 -0.164 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000850990448 661291657 /nfs/dbraw/zinc/29/16/57/661291657.db2.gz KTLCXTATEZSYMA-VFZGTOFNSA-N -1 0 369.399 -0.164 20 0 FBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCOCC1 ZINC000850991329 661291721 /nfs/dbraw/zinc/29/17/21/661291721.db2.gz WCEWFNHFQHURFM-UHFFFAOYSA-N -1 0 361.424 -0.560 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1ccn2nnnc2c1 ZINC000851016163 661291779 /nfs/dbraw/zinc/29/17/79/661291779.db2.gz NKTCZLJFUKCCME-JTQLQIEISA-N -1 0 355.376 -0.084 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1ccn2nnnc2c1 ZINC000851016164 661291736 /nfs/dbraw/zinc/29/17/36/661291736.db2.gz NKTCZLJFUKCCME-SNVBAGLBSA-N -1 0 355.376 -0.084 20 0 FBADRM O=C(CN1CCN(C2CC2)C1=O)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1 ZINC000851016768 661291749 /nfs/dbraw/zinc/29/17/49/661291749.db2.gz FHJRUGRXOOEFIT-UHFFFAOYSA-N -1 0 364.387 -0.337 20 0 FBADRM CC(C)(C)n1nnc(C(=O)[N-]S(=O)(=O)c2ccc3n[nH]nc3c2)n1 ZINC000851016999 661291825 /nfs/dbraw/zinc/29/18/25/661291825.db2.gz MXOSGXNYVTWLLR-UHFFFAOYSA-N -1 0 350.364 -0.182 20 0 FBADRM CC(C)(C)n1nnc(CC(=O)[N-]S(=O)(=O)c2ccc3n[nH]nc3c2)n1 ZINC000851017287 661291804 /nfs/dbraw/zinc/29/18/04/661291804.db2.gz PNFPCOCJSKOICH-UHFFFAOYSA-N -1 0 364.391 -0.253 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@@H](COC)OC)CC1 ZINC000851017934 661291710 /nfs/dbraw/zinc/29/17/10/661291710.db2.gz ZJZREUYBLOSOOG-LLVKDONJSA-N -1 0 352.409 -0.285 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@H](COC)OC)CC1 ZINC000851017936 661291762 /nfs/dbraw/zinc/29/17/62/661291762.db2.gz ZJZREUYBLOSOOG-NSHDSACASA-N -1 0 352.409 -0.285 20 0 FBADRM CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)c1cnc2n1CCOC2 ZINC000851019772 661291713 /nfs/dbraw/zinc/29/17/13/661291713.db2.gz PRAAMNJEQKXOQL-UHFFFAOYSA-N -1 0 374.419 -0.002 20 0 FBADRM CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)c1ccn2nnnc2c1 ZINC000851020008 661291815 /nfs/dbraw/zinc/29/18/15/661291815.db2.gz WCDLTUHFSRNCFJ-UHFFFAOYSA-N -1 0 370.391 -0.291 20 0 FBADRM Cn1cc(CCC(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C)nn1 ZINC000851020120 661292144 /nfs/dbraw/zinc/29/21/44/661292144.db2.gz YOHLZYNCNPBIIC-UHFFFAOYSA-N -1 0 361.424 -0.282 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@](C)(OC)C(=O)OC(C)(C)C ZINC000851020999 661291985 /nfs/dbraw/zinc/29/19/85/661291985.db2.gz BOXMZKVMURQLSV-CYBMUJFWSA-N -1 0 353.393 -0.258 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@](C)(OC)C(=O)OC(C)(C)C ZINC000851021000 661292040 /nfs/dbraw/zinc/29/20/40/661292040.db2.gz BOXMZKVMURQLSV-ZDUSSCGKSA-N -1 0 353.393 -0.258 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cccc(Cn2ccnn2)c1 ZINC000851021765 661292049 /nfs/dbraw/zinc/29/20/49/661292049.db2.gz MNFXOVPNGZLDBP-UHFFFAOYSA-N -1 0 352.372 -0.051 20 0 FBADRM CN1C(=O)CO[C@H](C(=O)[N-]S(=O)(=O)C2(C)CC2)[C@H]1c1cccnc1 ZINC000851022528 661292116 /nfs/dbraw/zinc/29/21/16/661292116.db2.gz FZZKHIFLNCYPJO-OLZOCXBDSA-N -1 0 353.400 -0.022 20 0 FBADRM COC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000851023929 661292147 /nfs/dbraw/zinc/29/21/47/661292147.db2.gz NOEHULOKHQGZSU-SSDOTTSWSA-N -1 0 370.225 -0.043 20 0 FBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000851023984 661292033 /nfs/dbraw/zinc/29/20/33/661292033.db2.gz NOEHULOKHQGZSU-ZETCQYMHSA-N -1 0 370.225 -0.043 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)CC2(n3cnnn3)CCOCC2)CC1 ZINC000851033735 661292054 /nfs/dbraw/zinc/29/20/54/661292054.db2.gz AJACMWVKOGWQCH-UHFFFAOYSA-N -1 0 359.408 -0.806 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000851034740 661291977 /nfs/dbraw/zinc/29/19/77/661291977.db2.gz SWPGJNZUGNDSSH-UHFFFAOYSA-N -1 0 361.424 -0.384 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)CN1CCN(C2CC2)C1=O ZINC000851034781 661292006 /nfs/dbraw/zinc/29/20/06/661292006.db2.gz VEKOLXYSIARJCS-UHFFFAOYSA-N -1 0 361.420 -0.468 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2c(C3CC3)cnn2C)CC1 ZINC000851040527 661292438 /nfs/dbraw/zinc/29/24/38/661292438.db2.gz DMKZHYXXMVVGCG-UHFFFAOYSA-N -1 0 355.420 -0.564 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ncnc3ccsc32)CC1 ZINC000851040550 661292432 /nfs/dbraw/zinc/29/24/32/661292432.db2.gz DXFFTCGPQODYDF-UHFFFAOYSA-N -1 0 369.428 -0.170 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)Cn2cc(C3CC3)cn2)CC1 ZINC000851040557 661292386 /nfs/dbraw/zinc/29/23/86/661292386.db2.gz DZVUSKGSNKDZAI-UHFFFAOYSA-N -1 0 355.420 -0.714 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ncoc2-c2ccon2)CC1 ZINC000851040826 661292425 /nfs/dbraw/zinc/29/24/25/661292425.db2.gz HNDSGTDMPDVBKZ-UHFFFAOYSA-N -1 0 369.359 -0.532 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ncn3ccc(C)cc23)CC1 ZINC000851040831 661292336 /nfs/dbraw/zinc/29/23/36/661292336.db2.gz HOAULBKGXBIXMI-UHFFFAOYSA-N -1 0 365.415 -0.219 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccnn2C(F)F)CC1 ZINC000851040892 661292330 /nfs/dbraw/zinc/29/23/30/661292330.db2.gz ISFVKBNCKKXVAI-UHFFFAOYSA-N -1 0 351.335 -0.583 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCCc2cccnc2)CC1 ZINC000851041221 661292407 /nfs/dbraw/zinc/29/24/07/661292407.db2.gz LWMFGICYFDRUOZ-UHFFFAOYSA-N -1 0 354.432 -0.071 20 0 FBADRM CCc1c[nH]c(=O)c(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000851041357 661292270 /nfs/dbraw/zinc/29/22/70/661292270.db2.gz NENRVWTYNFJTSI-UHFFFAOYSA-N -1 0 356.404 -0.512 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)CCOC3)CC1 ZINC000851041700 661292198 /nfs/dbraw/zinc/29/21/98/661292198.db2.gz QAQAGQVIZWAEJK-UHFFFAOYSA-N -1 0 367.427 -0.102 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C[C@@H](C)n2ccc(C)n2)CC1 ZINC000851041714 661292237 /nfs/dbraw/zinc/29/22/37/661292237.db2.gz QDFMDSHLAGJAEX-GFCCVEGCSA-N -1 0 357.436 -0.332 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C[C@H](C)n2ccc(C)n2)CC1 ZINC000851041716 661292412 /nfs/dbraw/zinc/29/24/12/661292412.db2.gz QDFMDSHLAGJAEX-LBPRGKRZSA-N -1 0 357.436 -0.332 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C2CC3(CC3(F)F)C2)CC1 ZINC000851041772 661292381 /nfs/dbraw/zinc/29/23/81/661292381.db2.gz RMLNSOQERDQBMS-UHFFFAOYSA-N -1 0 351.375 -0.053 20 0 FBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)c(C)o1 ZINC000851041962 661292308 /nfs/dbraw/zinc/29/23/08/661292308.db2.gz UHBNKFHTXVFWMQ-UHFFFAOYSA-N -1 0 373.387 -0.487 20 0 FBADRM CCOCCOCCCC(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000851041989 661292370 /nfs/dbraw/zinc/29/23/70/661292370.db2.gz VAGKVSIFXYQMBX-UHFFFAOYSA-N -1 0 365.452 -0.655 20 0 FBADRM O=C(CN1CCN(C2CC2)C1=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000851049042 661292298 /nfs/dbraw/zinc/29/22/98/661292298.db2.gz MWNKLHDBOGARTK-UHFFFAOYSA-N -1 0 369.403 -0.630 20 0 FBADRM CC(C)(C)n1nnc(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)n1 ZINC000851050073 661292342 /nfs/dbraw/zinc/29/23/42/661292342.db2.gz UVTRBSHNTWWZLQ-UHFFFAOYSA-N -1 0 355.380 -0.474 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)c1ccn2nnnc2c1 ZINC000851053024 661292219 /nfs/dbraw/zinc/29/22/19/661292219.db2.gz IITSPZJLPKGGQR-JTQLQIEISA-N -1 0 363.359 -0.599 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)c1ccn2nnnc2c1 ZINC000851053025 661292376 /nfs/dbraw/zinc/29/23/76/661292376.db2.gz IITSPZJLPKGGQR-SNVBAGLBSA-N -1 0 363.359 -0.599 20 0 FBADRM CC(C)(C)n1nnc(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)n1 ZINC000851055751 661292212 /nfs/dbraw/zinc/29/22/12/661292212.db2.gz ZUGYLRRVZWNMET-SECBINFHSA-N -1 0 369.407 -0.295 20 0 FBADRM CC(C)(C)n1nnc(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)n1 ZINC000851055753 661292443 /nfs/dbraw/zinc/29/24/43/661292443.db2.gz ZUGYLRRVZWNMET-VIFPVBQESA-N -1 0 369.407 -0.295 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)C2(n3cnnn3)CCOCC2)sc1C ZINC000851060415 661292321 /nfs/dbraw/zinc/29/23/21/661292321.db2.gz SCUXPAAYMILXOO-UHFFFAOYSA-N -1 0 372.432 -0.243 20 0 FBADRM CCc1csc(S(=O)(=O)[N-]C(=O)C2(n3cnnn3)CCOCC2)n1 ZINC000851060670 661292361 /nfs/dbraw/zinc/29/23/61/661292361.db2.gz SKUAGZVVBJQWEO-UHFFFAOYSA-N -1 0 372.432 -0.297 20 0 FBADRM O=C([N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)C1(n2cnnn2)CCOCC1 ZINC000851065771 661292610 /nfs/dbraw/zinc/29/26/10/661292610.db2.gz YWKLZMYGFNWPFG-GRYCIOLGSA-N -1 0 355.420 -0.187 20 0 FBADRM O=C([N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2)C1(n2cnnn2)CCOCC1 ZINC000851065772 661292651 /nfs/dbraw/zinc/29/26/51/661292651.db2.gz YWKLZMYGFNWPFG-WOPDTQHZSA-N -1 0 355.420 -0.187 20 0 FBADRM CC(C)(C)OCCS(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCOCC1 ZINC000851071084 661292644 /nfs/dbraw/zinc/29/26/44/661292644.db2.gz HJUQKQUVMFGRSI-UHFFFAOYSA-N -1 0 361.424 -0.560 20 0 FBADRM COCCCOCCC(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000851075949 661292673 /nfs/dbraw/zinc/29/26/73/661292673.db2.gz DRXXAWJASKWFQS-UHFFFAOYSA-N -1 0 369.403 -0.090 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc(F)cn1)C1(n2cnnn2)CCOCC1 ZINC000851076384 661292638 /nfs/dbraw/zinc/29/26/38/661292638.db2.gz JTMPLGPPOLHOIK-UHFFFAOYSA-N -1 0 356.339 -0.782 20 0 FBADRM O=C(CC1(n2cnnn2)CCOCC1)[N-]S(=O)(=O)c1ccc(F)cn1 ZINC000851076582 661292626 /nfs/dbraw/zinc/29/26/26/661292626.db2.gz OGYXSHNVXZOECV-UHFFFAOYSA-N -1 0 370.366 -0.392 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1)[C@H]1CCOC1 ZINC000851077058 661292601 /nfs/dbraw/zinc/29/26/01/661292601.db2.gz WQPQJDYXBQKNKV-GWCFXTLKSA-N -1 0 367.387 -0.481 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1)[C@H]1CCOC1 ZINC000851077059 661292687 /nfs/dbraw/zinc/29/26/87/661292687.db2.gz WQPQJDYXBQKNKV-GXFFZTMASA-N -1 0 367.387 -0.481 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1)[C@@H]1CCOC1 ZINC000851077060 661292592 /nfs/dbraw/zinc/29/25/92/661292592.db2.gz WQPQJDYXBQKNKV-MFKMUULPSA-N -1 0 367.387 -0.481 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1)[C@@H]1CCOC1 ZINC000851077061 661292684 /nfs/dbraw/zinc/29/26/84/661292684.db2.gz WQPQJDYXBQKNKV-ZWNOBZJWSA-N -1 0 367.387 -0.481 20 0 FBADRM Cn1cccc1S(=O)(=O)[N-]C(=O)CC1(n2cnnn2)CCOCC1 ZINC000851084032 661292587 /nfs/dbraw/zinc/29/25/87/661292587.db2.gz YBOGDRFCWUEZDY-UHFFFAOYSA-N -1 0 354.392 -0.588 20 0 FBADRM Cc1ccncc1S(=O)(=O)[N-]C(=O)CC1(n2cnnn2)CCOCC1 ZINC000851088559 661292661 /nfs/dbraw/zinc/29/26/61/661292661.db2.gz LXKNDMQLYJWLPW-UHFFFAOYSA-N -1 0 366.403 -0.223 20 0 FBADRM Cc1ccncc1S(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCOCC1 ZINC000851088788 661292704 /nfs/dbraw/zinc/29/27/04/661292704.db2.gz PSPDKCQANTXDKJ-UHFFFAOYSA-N -1 0 352.376 -0.613 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C(=O)CCc2cn(C)nn2)c(C)o1 ZINC000851099349 661292596 /nfs/dbraw/zinc/29/25/96/661292596.db2.gz QATQYFCOOSCCPN-UHFFFAOYSA-N -1 0 356.360 -0.059 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)c2cnc3n2CCOC3)c1 ZINC000851107751 661292925 /nfs/dbraw/zinc/29/29/25/661292925.db2.gz AGIATSUHHGEXIN-UHFFFAOYSA-N -1 0 355.328 -0.088 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)CN2CCN(C3CC3)C2=O)c1 ZINC000851107793 661292957 /nfs/dbraw/zinc/29/29/57/661292957.db2.gz BFSOQAPFNCRHGA-UHFFFAOYSA-N -1 0 371.371 -0.229 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)Cc2nnn(C(C)(C)C)n2)c1 ZINC000851108541 661292832 /nfs/dbraw/zinc/29/28/32/661292832.db2.gz NJEIAVYNNUQPCW-UHFFFAOYSA-N -1 0 371.375 -0.145 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)c2nnn(C(C)(C)C)n2)c1 ZINC000851109615 661292946 /nfs/dbraw/zinc/29/29/46/661292946.db2.gz ZXQHYHGFTWJAEJ-UHFFFAOYSA-N -1 0 357.348 -0.074 20 0 FBADRM CC(C)(C)OC(=O)[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)C1CC1 ZINC000851118506 661292961 /nfs/dbraw/zinc/29/29/61/661292961.db2.gz GWXLOSQNBJUWGC-JTQLQIEISA-N -1 0 373.387 -0.054 20 0 FBADRM CC(C)(C)OC(=O)[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)C1CC1 ZINC000851118507 661292815 /nfs/dbraw/zinc/29/28/15/661292815.db2.gz GWXLOSQNBJUWGC-SNVBAGLBSA-N -1 0 373.387 -0.054 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)on1 ZINC000851119573 661292868 /nfs/dbraw/zinc/29/28/68/661292868.db2.gz VWNDCQYWKKOZBU-DJLDLDEBSA-N -1 0 370.387 -0.727 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]23)on1 ZINC000851119580 661292844 /nfs/dbraw/zinc/29/28/44/661292844.db2.gz VWNDCQYWKKOZBU-HLTSFMKQSA-N -1 0 370.387 -0.727 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)on1 ZINC000851119581 661292931 /nfs/dbraw/zinc/29/29/31/661292931.db2.gz VWNDCQYWKKOZBU-IWSPIJDZSA-N -1 0 370.387 -0.727 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]23)on1 ZINC000851119585 661292987 /nfs/dbraw/zinc/29/29/87/661292987.db2.gz VWNDCQYWKKOZBU-YIZRAAEISA-N -1 0 370.387 -0.727 20 0 FBADRM CC(=O)N[C@H](CCC(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000851119799 661292863 /nfs/dbraw/zinc/29/28/63/661292863.db2.gz YYESXQOQGVRCOL-SECBINFHSA-N -1 0 360.392 -0.481 20 0 FBADRM CC(=O)N[C@@H](CCC(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000851119800 661292916 /nfs/dbraw/zinc/29/29/16/661292916.db2.gz YYESXQOQGVRCOL-VIFPVBQESA-N -1 0 360.392 -0.481 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)CC1 ZINC000851135416 661293236 /nfs/dbraw/zinc/29/32/36/661293236.db2.gz MXEGGODNTYOQMZ-CYBMUJFWSA-N -1 0 373.475 -0.052 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(CC(C)C)C2)CC1 ZINC000851135417 661293116 /nfs/dbraw/zinc/29/31/16/661293116.db2.gz MXEGGODNTYOQMZ-ZDUSSCGKSA-N -1 0 373.475 -0.052 20 0 FBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)C3CCN(C(C)=O)CC3)(C1)C2 ZINC000851136761 661293160 /nfs/dbraw/zinc/29/31/60/661293160.db2.gz DHPYNFSXPRPFET-UHFFFAOYSA-N -1 0 358.416 -0.213 20 0 FBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)C2CCN(C(C)=O)CC2)CC1=O ZINC000851136819 661293168 /nfs/dbraw/zinc/29/31/68/661293168.db2.gz FMEFLRWNEZKCHA-GFCCVEGCSA-N -1 0 359.448 -0.298 20 0 FBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)C2CCN(C(C)=O)CC2)CC1=O ZINC000851136820 661293092 /nfs/dbraw/zinc/29/30/92/661293092.db2.gz FMEFLRWNEZKCHA-LBPRGKRZSA-N -1 0 359.448 -0.298 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2cc3c(cn2)OCCO3)CC1 ZINC000851137027 661293123 /nfs/dbraw/zinc/29/31/23/661293123.db2.gz JZKUHDDCOKZROL-UHFFFAOYSA-N -1 0 369.399 -0.077 20 0 FBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)C2CCN(C(C)=O)CC2)n1C ZINC000851137413 661293069 /nfs/dbraw/zinc/29/30/69/661293069.db2.gz ORPPMQBSVCCCKA-UHFFFAOYSA-N -1 0 371.415 -0.118 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2ccc3c(n2)OCCO3)CC1 ZINC000851137848 661293188 /nfs/dbraw/zinc/29/31/88/661293188.db2.gz ZTCCCSXDEXIBTN-UHFFFAOYSA-N -1 0 369.399 -0.077 20 0 FBADRM COc1ccc(OCCCS(=O)(=O)[N-]C(=O)CS(C)(=O)=O)cc1 ZINC000851150955 661293250 /nfs/dbraw/zinc/29/32/50/661293250.db2.gz QPRBGOITNOQBEH-UHFFFAOYSA-N -1 0 365.429 -0.045 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C)ccc21 ZINC000851173467 661293209 /nfs/dbraw/zinc/29/32/09/661293209.db2.gz LAILBKQYOFLALC-UHFFFAOYSA-N -1 0 353.404 -0.065 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)CCN3C(=O)CCC3=O)ccc21 ZINC000851173503 661293219 /nfs/dbraw/zinc/29/32/19/661293219.db2.gz JKKUYFALHNNHEF-UHFFFAOYSA-N -1 0 365.371 -0.688 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)[C@@H]3CC(=O)N(C4CC4)C3)ccc21 ZINC000851173645 661293245 /nfs/dbraw/zinc/29/32/45/661293245.db2.gz ODJRZVLWVJTOFC-SECBINFHSA-N -1 0 363.399 -0.216 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)[C@H]3CC(=O)N(C4CC4)C3)ccc21 ZINC000851173646 661293184 /nfs/dbraw/zinc/29/31/84/661293184.db2.gz ODJRZVLWVJTOFC-VIFPVBQESA-N -1 0 363.399 -0.216 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)CN3CCSC3=O)ccc21 ZINC000851173995 661293196 /nfs/dbraw/zinc/29/31/96/661293196.db2.gz XKESCEQFVVNAFQ-UHFFFAOYSA-N -1 0 355.401 -0.058 20 0 FBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C ZINC000851174016 661293242 /nfs/dbraw/zinc/29/32/42/661293242.db2.gz SPGRZCHTOXZKEG-UHFFFAOYSA-N -1 0 355.376 -0.091 20 0 FBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C ZINC000851174051 661293066 /nfs/dbraw/zinc/29/30/66/661293066.db2.gz SXRQFIBBNCKLIA-UHFFFAOYSA-N -1 0 355.376 -0.091 20 0 FBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)nnn3C)CCC1 ZINC000851174100 661293057 /nfs/dbraw/zinc/29/30/57/661293057.db2.gz UFZLQWUIDWMKOZ-UHFFFAOYSA-N -1 0 351.388 -0.311 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)COC[C@@H]3CCCO3)ccc21 ZINC000851174142 661293095 /nfs/dbraw/zinc/29/30/95/661293095.db2.gz VMPQKQCAXPXCRK-JTQLQIEISA-N -1 0 354.388 -0.031 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)COC[C@H]3CCCO3)ccc21 ZINC000851174143 661293164 /nfs/dbraw/zinc/29/31/64/661293164.db2.gz VMPQKQCAXPXCRK-SNVBAGLBSA-N -1 0 354.388 -0.031 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)[C@@H]3CCN(C)C(=O)C3)ccc21 ZINC000851174173 661293153 /nfs/dbraw/zinc/29/31/53/661293153.db2.gz WXSASRBEWNCHKR-SECBINFHSA-N -1 0 351.388 -0.358 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)[C@H]3CCN(C)C(=O)C3)ccc21 ZINC000851174174 661293106 /nfs/dbraw/zinc/29/31/06/661293106.db2.gz WXSASRBEWNCHKR-VIFPVBQESA-N -1 0 351.388 -0.358 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)CCN3CCCC3=O)ccc21 ZINC000851174291 661293193 /nfs/dbraw/zinc/29/31/93/661293193.db2.gz ZZVXNDUUYCBXJU-UHFFFAOYSA-N -1 0 351.388 -0.214 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)[C@H]3CCCCS3(=O)=O)ccc21 ZINC000851174292 661293258 /nfs/dbraw/zinc/29/32/58/661293258.db2.gz AAXMJEMXKGBMQU-GFCCVEGCSA-N -1 0 372.428 -0.260 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)[C@@H]3CCCCS3(=O)=O)ccc21 ZINC000851174293 661293100 /nfs/dbraw/zinc/29/31/00/661293100.db2.gz AAXMJEMXKGBMQU-LBPRGKRZSA-N -1 0 372.428 -0.260 20 0 FBADRM Cn1nccc1COCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C ZINC000851174304 661293428 /nfs/dbraw/zinc/29/34/28/661293428.db2.gz APJOHEMCUIEWAI-UHFFFAOYSA-N -1 0 364.387 -0.277 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C)c1cnn(C)c1 ZINC000851174333 661293418 /nfs/dbraw/zinc/29/34/18/661293418.db2.gz BEURFYPGYDLNPB-CYBMUJFWSA-N -1 0 364.387 -0.106 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C)c1cnn(C)c1 ZINC000851174334 661293423 /nfs/dbraw/zinc/29/34/23/661293423.db2.gz BEURFYPGYDLNPB-ZDUSSCGKSA-N -1 0 364.387 -0.106 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C ZINC000851174374 661293439 /nfs/dbraw/zinc/29/34/39/661293439.db2.gz CJRGZTNBMNSNNN-CYBMUJFWSA-N -1 0 353.404 -0.506 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C ZINC000851174375 661293351 /nfs/dbraw/zinc/29/33/51/661293351.db2.gz CJRGZTNBMNSNNN-ZDUSSCGKSA-N -1 0 353.404 -0.506 20 0 FBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)nnn3C)n1 ZINC000851174501 661293448 /nfs/dbraw/zinc/29/34/48/661293448.db2.gz DTVLRODOBUTGEN-UHFFFAOYSA-N -1 0 364.387 -0.070 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C)C(=O)C1CC1 ZINC000851174606 661293444 /nfs/dbraw/zinc/29/34/44/661293444.db2.gz IAKIMJOVLRZKAZ-UHFFFAOYSA-N -1 0 351.388 -0.358 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)[C@@]3(C)CCC(=O)NC3)ccc21 ZINC000851174647 661293451 /nfs/dbraw/zinc/29/34/51/661293451.db2.gz JDSCAVITABPRAH-AWEZNQCLSA-N -1 0 351.388 -0.311 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)[C@]3(C)CCC(=O)NC3)ccc21 ZINC000851174648 661293344 /nfs/dbraw/zinc/29/33/44/661293344.db2.gz JDSCAVITABPRAH-CQSZACIVSA-N -1 0 351.388 -0.311 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)C[C@H]3CCCC(=O)N3)ccc21 ZINC000851174653 661293463 /nfs/dbraw/zinc/29/34/63/661293463.db2.gz JPTROYCOXMABSR-SECBINFHSA-N -1 0 351.388 -0.168 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)C[C@@H]3CCCC(=O)N3)ccc21 ZINC000851174654 661293461 /nfs/dbraw/zinc/29/34/61/661293461.db2.gz JPTROYCOXMABSR-VIFPVBQESA-N -1 0 351.388 -0.168 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)CN3CCCCC3=O)ccc21 ZINC000851174981 661293402 /nfs/dbraw/zinc/29/34/02/661293402.db2.gz NQPXEDULNJOCKF-UHFFFAOYSA-N -1 0 351.388 -0.214 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)nnn3C)nn1 ZINC000851175090 661293465 /nfs/dbraw/zinc/29/34/65/661293465.db2.gz DXXQSQWWNFULKS-UHFFFAOYSA-N -1 0 365.375 -0.675 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C)[C@@H]1CCOC1 ZINC000851175123 661293424 /nfs/dbraw/zinc/29/34/24/661293424.db2.gz FGFFRMUNNIUTGZ-NOZJJQNGSA-N -1 0 354.388 -0.175 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C)[C@@H]1CCOC1 ZINC000851175124 661293406 /nfs/dbraw/zinc/29/34/06/661293406.db2.gz FGFFRMUNNIUTGZ-RNCFNFMXSA-N -1 0 354.388 -0.175 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C)[C@H]1CCOC1 ZINC000851175125 661293468 /nfs/dbraw/zinc/29/34/68/661293468.db2.gz FGFFRMUNNIUTGZ-TVQRCGJNSA-N -1 0 354.388 -0.175 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C)[C@H]1CCOC1 ZINC000851175126 661293438 /nfs/dbraw/zinc/29/34/38/661293438.db2.gz FGFFRMUNNIUTGZ-ZANVPECISA-N -1 0 354.388 -0.175 20 0 FBADRM COC1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)nnn3C)CCOCC1 ZINC000851175590 661293393 /nfs/dbraw/zinc/29/33/93/661293393.db2.gz VCMSIWGQDHQGBZ-UHFFFAOYSA-N -1 0 354.388 -0.031 20 0 FBADRM COCc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C ZINC000851175922 661293431 /nfs/dbraw/zinc/29/34/31/661293431.db2.gz ZHWLYODNCLMULQ-UHFFFAOYSA-N -1 0 364.387 -0.033 20 0 FBADRM CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C ZINC000851175976 661293420 /nfs/dbraw/zinc/29/34/20/661293420.db2.gz LXWCJDOLZWGJRL-UHFFFAOYSA-N -1 0 353.404 -0.065 20 0 FBADRM COC[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)nnn3C)CCOC1 ZINC000851176320 661293421 /nfs/dbraw/zinc/29/34/21/661293421.db2.gz OKTXBUCWNNRXRE-AWEZNQCLSA-N -1 0 354.388 -0.174 20 0 FBADRM COC[C@]1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)nnn3C)CCOC1 ZINC000851176321 661293456 /nfs/dbraw/zinc/29/34/56/661293456.db2.gz OKTXBUCWNNRXRE-CQSZACIVSA-N -1 0 354.388 -0.174 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)c3nnn(C(C)(C)C)n3)ccc21 ZINC000851176616 661293459 /nfs/dbraw/zinc/29/34/59/661293459.db2.gz PZANMSJZRCSZCL-UHFFFAOYSA-N -1 0 364.391 -0.172 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)CS(=O)(=O)C3CC3)ccc21 ZINC000851176859 661293398 /nfs/dbraw/zinc/29/33/98/661293398.db2.gz QQBOVMHPGRVOAX-UHFFFAOYSA-N -1 0 358.401 -0.650 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)c3cnc4n3CCOC4)ccc21 ZINC000851177822 661293433 /nfs/dbraw/zinc/29/34/33/661293433.db2.gz XIFXFDYDHFXZSE-UHFFFAOYSA-N -1 0 362.371 -0.186 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@@H](COC)OC ZINC000851192513 661293389 /nfs/dbraw/zinc/29/33/89/661293389.db2.gz KNQAJYOUAUZSKT-SECBINFHSA-N -1 0 366.417 -0.659 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@H](COC)OC ZINC000851192514 661293382 /nfs/dbraw/zinc/29/33/82/661293382.db2.gz KNQAJYOUAUZSKT-VIFPVBQESA-N -1 0 366.417 -0.659 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000851192747 661293441 /nfs/dbraw/zinc/29/34/41/661293441.db2.gz QEAFNCRYEVDFTE-JZYVYDRUSA-N -1 0 360.413 -0.428 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)c1cnnn1C ZINC000851193092 661293703 /nfs/dbraw/zinc/29/37/03/661293703.db2.gz CJCJQCXVXRUTBI-UHFFFAOYSA-N -1 0 359.389 -0.878 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)c1ccn(C)n1 ZINC000851193181 661293750 /nfs/dbraw/zinc/29/37/50/661293750.db2.gz GOVHBIBBTCBFQM-UHFFFAOYSA-N -1 0 358.401 -0.273 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)c1cn(C)nn1 ZINC000851193200 661293588 /nfs/dbraw/zinc/29/35/88/661293588.db2.gz HIBNEXJEVIOGLT-UHFFFAOYSA-N -1 0 359.389 -0.878 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)c1cncn1C ZINC000851193279 661293614 /nfs/dbraw/zinc/29/36/14/661293614.db2.gz KDGKBCSKNRMRSB-UHFFFAOYSA-N -1 0 358.401 -0.273 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)c1cnn(C)n1 ZINC000851193316 661293744 /nfs/dbraw/zinc/29/37/44/661293744.db2.gz LQDHPZNJCOGJCY-UHFFFAOYSA-N -1 0 359.389 -0.878 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)CC1OCCO1 ZINC000851193455 661293691 /nfs/dbraw/zinc/29/36/91/661293691.db2.gz PHDNMGHFASLFJP-UHFFFAOYSA-N -1 0 364.401 -0.557 20 0 FBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)c2ncccc2S(=O)(=O)CC)n1 ZINC000851193614 661293700 /nfs/dbraw/zinc/29/37/00/661293700.db2.gz VJXMAQLAJONROF-UHFFFAOYSA-N -1 0 373.416 -0.395 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)COC(F)F ZINC000851193646 661293664 /nfs/dbraw/zinc/29/36/64/661293664.db2.gz WHKIPRJLFRZACX-UHFFFAOYSA-N -1 0 358.344 -0.081 20 0 FBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)c1ncccc1S(=O)(=O)CC ZINC000851193730 661293602 /nfs/dbraw/zinc/29/36/02/661293602.db2.gz YZCIDPVUGJXYTG-UHFFFAOYSA-N -1 0 373.416 -0.395 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)c1ncn(C)n1 ZINC000851193759 661293573 /nfs/dbraw/zinc/29/35/73/661293573.db2.gz ZXTBNDVPGSNWFW-UHFFFAOYSA-N -1 0 359.389 -0.878 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)CNC(=O)OC ZINC000851194200 661293610 /nfs/dbraw/zinc/29/36/10/661293610.db2.gz HCYPOTHPNJUHFS-UHFFFAOYSA-N -1 0 365.389 -0.964 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)CCn1cccn1 ZINC000851194803 661293597 /nfs/dbraw/zinc/29/35/97/661293597.db2.gz LWSXUBJBDVWCCC-UHFFFAOYSA-N -1 0 372.428 -0.033 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)c1cnn(C)c1 ZINC000851195054 661293688 /nfs/dbraw/zinc/29/36/88/661293688.db2.gz OWERXQVNKMBWQM-UHFFFAOYSA-N -1 0 358.401 -0.273 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)c1ccnn1C ZINC000851195577 661293725 /nfs/dbraw/zinc/29/37/25/661293725.db2.gz UBCZBCWWICDFKM-UHFFFAOYSA-N -1 0 358.401 -0.273 20 0 FBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)CCc1ccc(F)cc1 ZINC000851195727 661293561 /nfs/dbraw/zinc/29/35/61/661293561.db2.gz BTBCHRQVWHXAEG-UHFFFAOYSA-N -1 0 364.420 -0.150 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)c1nnn(C)c1C ZINC000851195853 661293630 /nfs/dbraw/zinc/29/36/30/661293630.db2.gz WHCKROBTAXYBDN-UHFFFAOYSA-N -1 0 373.416 -0.569 20 0 FBADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)CCc2ccc(F)cc2)c1=O ZINC000851196634 661293568 /nfs/dbraw/zinc/29/35/68/661293568.db2.gz MDNUPFKZQLADIH-UHFFFAOYSA-N -1 0 369.374 -0.625 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)CCc2ccc(F)cc2)c(=O)n(C)c1=O ZINC000851197095 661293637 /nfs/dbraw/zinc/29/36/37/661293637.db2.gz JACVZXZWGCZPON-UHFFFAOYSA-N -1 0 369.374 -0.475 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)CCc1ccc(F)cc1)S(C)(=O)=O ZINC000851197470 661293709 /nfs/dbraw/zinc/29/37/09/661293709.db2.gz ZMJLNFONWYXJIT-UHFFFAOYSA-N -1 0 352.409 -0.294 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)CCc2ccc(F)cc2)S1(=O)=O ZINC000851199661 661293732 /nfs/dbraw/zinc/29/37/32/661293732.db2.gz QQAYFESOVOUQGO-GFCCVEGCSA-N -1 0 364.420 -0.152 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)CCc2ccc(F)cc2)S1(=O)=O ZINC000851199662 661293648 /nfs/dbraw/zinc/29/36/48/661293648.db2.gz QQAYFESOVOUQGO-LBPRGKRZSA-N -1 0 364.420 -0.152 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)CCc2ccc(F)cc2)c(=O)n1C ZINC000851200270 661293657 /nfs/dbraw/zinc/29/36/57/661293657.db2.gz XMQQPHDSLYZOAZ-UHFFFAOYSA-N -1 0 356.379 -0.282 20 0 FBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)CCc2ccc(F)cc2)c1=O ZINC000851200310 661293740 /nfs/dbraw/zinc/29/37/40/661293740.db2.gz YUPGIASTCRNXMX-UHFFFAOYSA-N -1 0 356.379 -0.200 20 0 FBADRM CC(=O)N1CCc2sc(S(=O)(=O)[N-]C(=O)c3cnn(C)n3)cc2C1 ZINC000851219403 661294000 /nfs/dbraw/zinc/29/40/00/661294000.db2.gz LCCOIRMAVWJWPH-UHFFFAOYSA-N -1 0 369.428 -0.100 20 0 FBADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)CCc2ccccc2Cl)c1=O ZINC000851323693 661293945 /nfs/dbraw/zinc/29/39/45/661293945.db2.gz LOVCKOGCFKFZRS-UHFFFAOYSA-N -1 0 358.807 -0.076 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)CCc1ccccc1F)S(C)(=O)=O ZINC000851324534 661294408 /nfs/dbraw/zinc/29/44/08/661294408.db2.gz ARUYZOWLQIWOBO-UHFFFAOYSA-N -1 0 352.409 -0.294 20 0 FBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)CCc1ccccc1F ZINC000851324592 661294391 /nfs/dbraw/zinc/29/43/91/661294391.db2.gz CLRHOBZFDMKTGB-UHFFFAOYSA-N -1 0 364.420 -0.150 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)CCc2ccccc2F)c(=O)n(C)c1=O ZINC000851324937 661294249 /nfs/dbraw/zinc/29/42/49/661294249.db2.gz HYYCJOCXHDXCHR-UHFFFAOYSA-N -1 0 369.374 -0.475 20 0 FBADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)CCc2ccccc2F)c1=O ZINC000851325231 661294358 /nfs/dbraw/zinc/29/43/58/661294358.db2.gz NADOVOYJZKTFDG-UHFFFAOYSA-N -1 0 369.374 -0.625 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)CCc2ccccc2F)S1(=O)=O ZINC000851325805 661294205 /nfs/dbraw/zinc/29/42/05/661294205.db2.gz CDRDAPYKWUIRHY-GFCCVEGCSA-N -1 0 364.420 -0.152 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)CCc2ccccc2F)S1(=O)=O ZINC000851325806 661294282 /nfs/dbraw/zinc/29/42/82/661294282.db2.gz CDRDAPYKWUIRHY-LBPRGKRZSA-N -1 0 364.420 -0.152 20 0 FBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)CCc2ccccc2F)c1=O ZINC000851325835 661294414 /nfs/dbraw/zinc/29/44/14/661294414.db2.gz CXWGFJLGQCHUKV-UHFFFAOYSA-N -1 0 356.379 -0.200 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)CCc2ccccc2F)c(=O)n1C ZINC000851326674 661294270 /nfs/dbraw/zinc/29/42/70/661294270.db2.gz SYFTZHXWAKTEQY-UHFFFAOYSA-N -1 0 356.379 -0.282 20 0 FBADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)[N-]S(=O)(=O)CC(F)F ZINC000851358410 661294458 /nfs/dbraw/zinc/29/44/58/661294458.db2.gz JFOUZOZRGSHDIL-UHFFFAOYSA-N -1 0 353.347 -0.048 20 0 FBADRM O=C(CCN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)CC(F)F ZINC000851358463 661294477 /nfs/dbraw/zinc/29/44/77/661294477.db2.gz KKOJSRPQKSXXLO-UHFFFAOYSA-N -1 0 353.347 -0.048 20 0 FBADRM NC(=O)[C@@H]1CC(C(=O)[N-]S(=O)(=O)CC(F)F)=NN1c1ccccc1 ZINC000851359037 661294472 /nfs/dbraw/zinc/29/44/72/661294472.db2.gz WNNIOCCTZPVVJX-JTQLQIEISA-N -1 0 360.342 -0.182 20 0 FBADRM NC(=O)[C@H]1CC(C(=O)[N-]S(=O)(=O)CC(F)F)=NN1c1ccccc1 ZINC000851359038 661294523 /nfs/dbraw/zinc/29/45/23/661294523.db2.gz WNNIOCCTZPVVJX-SNVBAGLBSA-N -1 0 360.342 -0.182 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)CC(F)F)ccc1OCC(N)=O ZINC000851359268 661294491 /nfs/dbraw/zinc/29/44/91/661294491.db2.gz GLXXMAAKGDVYNM-UHFFFAOYSA-N -1 0 352.315 -0.116 20 0 FBADRM O=C([N-]S(=O)(=O)CC(F)F)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000851359468 661294569 /nfs/dbraw/zinc/29/45/69/661294569.db2.gz OGRULLGTAJHIPK-UHFFFAOYSA-N -1 0 355.344 -0.805 20 0 FBADRM O=C(CN1C(=O)c2ccccc2S1(=O)=O)[N-]S(=O)(=O)CC(F)F ZINC000851359727 661294530 /nfs/dbraw/zinc/29/45/30/661294530.db2.gz YLICFCIWMNZLLU-UHFFFAOYSA-N -1 0 368.339 -0.458 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)CC(F)F)N1C(=O)NC2(CCCC2)C1=O ZINC000851359950 661294468 /nfs/dbraw/zinc/29/44/68/661294468.db2.gz GYXICEXINWNOJB-SSDOTTSWSA-N -1 0 353.347 -0.049 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)CC(F)F)N1C(=O)NC2(CCCC2)C1=O ZINC000851359951 661294574 /nfs/dbraw/zinc/29/45/74/661294574.db2.gz GYXICEXINWNOJB-ZETCQYMHSA-N -1 0 353.347 -0.049 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)CC(F)F)S(=O)(=O)c1cccnc1 ZINC000851360178 661294496 /nfs/dbraw/zinc/29/44/96/661294496.db2.gz RDHNTLABCSCDTC-UHFFFAOYSA-N -1 0 357.360 -0.587 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)[N-]S(=O)(=O)CC(F)F ZINC000851361749 661294534 /nfs/dbraw/zinc/29/45/34/661294534.db2.gz RSSMKOGTHSCPOU-UHFFFAOYSA-N -1 0 359.351 -0.662 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)CC(F)F)n(C)c1 ZINC000851361769 661294447 /nfs/dbraw/zinc/29/44/47/661294447.db2.gz SMXBXHZSGYFYGH-UHFFFAOYSA-N -1 0 359.376 -0.400 20 0 FBADRM O=C(CNC(=O)c1ccc2c(c1)OCO2)[N-]S(=O)(=O)CC(F)F ZINC000851361797 661294481 /nfs/dbraw/zinc/29/44/81/661294481.db2.gz UJKMIDFHUWPHCB-UHFFFAOYSA-N -1 0 350.299 -0.144 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(F)F)cn1 ZINC000851362144 661294450 /nfs/dbraw/zinc/29/44/50/661294450.db2.gz ZDTRPRGIKXVEOL-UHFFFAOYSA-N -1 0 357.360 -0.343 20 0 FBADRM NC(=O)CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(F)F)cc1 ZINC000851362321 661294577 /nfs/dbraw/zinc/29/45/77/661294577.db2.gz ZSQAJMAWDWJFRX-UHFFFAOYSA-N -1 0 370.355 -0.730 20 0 FBADRM Cn1c2sc(C(=O)[N-]S(=O)(=O)CC(F)F)cc2c(=O)n(C)c1=O ZINC000851363237 661294444 /nfs/dbraw/zinc/29/44/44/661294444.db2.gz HYJICNBMFWHKDT-UHFFFAOYSA-N -1 0 367.355 -0.377 20 0 FBADRM CN1C(=O)CO[C@H](C(=O)[N-]S(=O)(=O)CC(F)F)[C@H]1c1cccnc1 ZINC000851363504 661294441 /nfs/dbraw/zinc/29/44/41/661294441.db2.gz CPNZRFMPWAHVIY-NEPJUHHUSA-N -1 0 363.342 -0.309 20 0 FBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)n1 ZINC000851432710 661294904 /nfs/dbraw/zinc/29/49/04/661294904.db2.gz PIEBFUAGESQAIW-UHFFFAOYSA-N -1 0 370.412 -0.155 20 0 FBADRM COc1cc(CS(=O)(=O)[N-]C(=O)c2cn(C)c(=O)[nH]c2=O)sn1 ZINC000851434002 661294877 /nfs/dbraw/zinc/29/48/77/661294877.db2.gz FRMXUKBUVHCLRC-UHFFFAOYSA-N -1 0 360.373 -0.789 20 0 FBADRM COc1cc(CS(=O)(=O)[N-]C(=O)CN2CCCS2(=O)=O)sn1 ZINC000851434196 661294880 /nfs/dbraw/zinc/29/48/80/661294880.db2.gz JTMWCKPIIUHHQL-UHFFFAOYSA-N -1 0 369.446 -0.867 20 0 FBADRM COc1cc(CS(=O)(=O)[N-]C(=O)CCN2C(=O)CCC2=O)sn1 ZINC000851434688 661294751 /nfs/dbraw/zinc/29/47/51/661294751.db2.gz SANBOJWKDOJHFK-UHFFFAOYSA-N -1 0 361.401 -0.363 20 0 FBADRM COc1cc(CS(=O)(=O)[N-]C(=O)c2cc(C(N)=O)cn2C)sn1 ZINC000851436027 661294905 /nfs/dbraw/zinc/29/49/05/661294905.db2.gz NIXUWODTXUXECM-UHFFFAOYSA-N -1 0 358.401 -0.151 20 0 FBADRM COC(=O)c1cnc(C(=O)[N-]S(=O)(=O)Cc2cc(OC)ns2)cn1 ZINC000851436826 661294747 /nfs/dbraw/zinc/29/47/47/661294747.db2.gz QSKYQZFNNASMMU-UHFFFAOYSA-N -1 0 372.384 -0.012 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1cc(OC)ns1 ZINC000851436877 661294732 /nfs/dbraw/zinc/29/47/32/661294732.db2.gz RNKJXNKZQYOUAK-UHFFFAOYSA-N -1 0 351.406 -0.798 20 0 FBADRM COc1cc(CS(=O)(=O)[N-]C(=O)CCn2ncn(C)c2=O)sn1 ZINC000851437240 661294896 /nfs/dbraw/zinc/29/48/96/661294896.db2.gz BZUJZJWWKOMXBA-UHFFFAOYSA-N -1 0 361.405 -0.917 20 0 FBADRM COc1cc(CS(=O)(=O)[N-]C(=O)Cn2nc(C)n(C)c2=O)sn1 ZINC000851437260 661294814 /nfs/dbraw/zinc/29/48/14/661294814.db2.gz CMJWTCSRNMDPGO-UHFFFAOYSA-N -1 0 361.405 -0.998 20 0 FBADRM COc1cc(CS(=O)(=O)[N-]C(=O)Cn2cc(C(C)=O)nn2)sn1 ZINC000851437306 661294894 /nfs/dbraw/zinc/29/48/94/661294894.db2.gz DXJZJZVRJHQOGZ-UHFFFAOYSA-N -1 0 359.389 -0.408 20 0 FBADRM COc1cc(CS(=O)(=O)[N-]C(=O)[C@H]2CCN(C)S2(=O)=O)sn1 ZINC000851437549 661294761 /nfs/dbraw/zinc/29/47/61/661294761.db2.gz NMBSUAAOBAUPLV-MRVPVSSYSA-N -1 0 369.446 -0.868 20 0 FBADRM COc1cc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)S2(=O)=O)sn1 ZINC000851437550 661295078 /nfs/dbraw/zinc/29/50/78/661295078.db2.gz NMBSUAAOBAUPLV-QMMMGPOBSA-N -1 0 369.446 -0.868 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)Cc2cc(OC)ns2)nn1 ZINC000851437830 661295036 /nfs/dbraw/zinc/29/50/36/661295036.db2.gz VOFWJIVAMHOSNL-UHFFFAOYSA-N -1 0 361.405 -0.351 20 0 FBADRM COc1cc(CS(=O)(=O)[N-]C(=O)CS(=O)(=O)C2CC2)sn1 ZINC000851437837 661295050 /nfs/dbraw/zinc/29/50/50/661295050.db2.gz VSWXWUFXZDUHSJ-UHFFFAOYSA-N -1 0 354.431 -0.325 20 0 FBADRM COc1cc(CS(=O)(=O)[N-]C(=O)CN2CCN(C3CC3)C2=O)sn1 ZINC000851438795 661295027 /nfs/dbraw/zinc/29/50/27/661295027.db2.gz VTSRRWIMOOLMDE-UHFFFAOYSA-N -1 0 374.444 -0.002 20 0 FBADRM CCc1nc(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)cn1CC1CC1 ZINC000851475114 661294962 /nfs/dbraw/zinc/29/49/62/661294962.db2.gz CLPDDTAYAFPLSM-UHFFFAOYSA-N -1 0 370.431 -0.481 20 0 FBADRM CCc1nc(S(=O)(=O)[N-]C(=O)CCNC(=O)NC)cn1CC1CC1 ZINC000851476382 661295085 /nfs/dbraw/zinc/29/50/85/661295085.db2.gz FMZJNXPMHVTHON-UHFFFAOYSA-N -1 0 357.436 -0.021 20 0 FBADRM CCc1nc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)COC)cn1CC1CC1 ZINC000851477024 661295115 /nfs/dbraw/zinc/29/51/15/661295115.db2.gz VTPPDUAQTSQFOT-UHFFFAOYSA-N -1 0 372.447 -0.235 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CCNC(=O)c1cccs1 ZINC000851497554 661294950 /nfs/dbraw/zinc/29/49/50/661294950.db2.gz AHTAUBWCIQSDJD-UHFFFAOYSA-N -1 0 364.445 -0.025 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cccc(-n2cnnn2)c1 ZINC000851497584 661295059 /nfs/dbraw/zinc/29/50/59/661295059.db2.gz BFMIHAKRVFSWEP-UHFFFAOYSA-N -1 0 355.376 -0.617 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000851497601 661295382 /nfs/dbraw/zinc/29/53/82/661295382.db2.gz CAVDOHGZYWGSMY-UHFFFAOYSA-N -1 0 369.403 -0.688 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CCn1c(C)csc1=O ZINC000851497796 661295394 /nfs/dbraw/zinc/29/53/94/661295394.db2.gz HFYNLUBOEOOXKZ-UHFFFAOYSA-N -1 0 352.434 -0.284 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000851497804 661295386 /nfs/dbraw/zinc/29/53/86/661295386.db2.gz HTTSCEIPUCATSW-UHFFFAOYSA-N -1 0 370.383 -0.367 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CNC(=O)Nc1ccccc1 ZINC000851497817 661295389 /nfs/dbraw/zinc/29/53/89/661295389.db2.gz IIASNLMIHKICPW-UHFFFAOYSA-N -1 0 359.404 -0.085 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000851497853 661295333 /nfs/dbraw/zinc/29/53/33/661295333.db2.gz JODKSYZFIGVHPS-UHFFFAOYSA-N -1 0 358.372 -0.262 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000851498003 661295353 /nfs/dbraw/zinc/29/53/53/661295353.db2.gz LFVJCUJGZMZWSG-LLVKDONJSA-N -1 0 374.415 -0.265 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000851498004 661295377 /nfs/dbraw/zinc/29/53/77/661295377.db2.gz LFVJCUJGZMZWSG-NSHDSACASA-N -1 0 374.415 -0.265 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CCNC(=O)c1ccsc1 ZINC000851498005 661295395 /nfs/dbraw/zinc/29/53/95/661295395.db2.gz LFZGQZHRNBQQQD-UHFFFAOYSA-N -1 0 364.445 -0.025 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1 ZINC000851498017 661295369 /nfs/dbraw/zinc/29/53/69/661295369.db2.gz MDLQUDZOGRTEQD-UHFFFAOYSA-N -1 0 355.376 -0.617 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)cc1 ZINC000851498026 661295337 /nfs/dbraw/zinc/29/53/37/661295337.db2.gz MMXTTZPYWYXLGO-UHFFFAOYSA-N -1 0 360.388 -0.728 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000851498170 661295317 /nfs/dbraw/zinc/29/53/17/661295317.db2.gz OCIWUIJSIIBKHE-SECBINFHSA-N -1 0 364.445 -0.026 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1cccs1 ZINC000851498171 661295391 /nfs/dbraw/zinc/29/53/91/661295391.db2.gz OCIWUIJSIIBKHE-VIFPVBQESA-N -1 0 364.445 -0.026 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000851498183 661295371 /nfs/dbraw/zinc/29/53/71/661295371.db2.gz ONWURIYAZFEQHY-UHFFFAOYSA-N -1 0 365.429 -0.189 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CN1C(=O)COc2ccccc21 ZINC000851498200 661295378 /nfs/dbraw/zinc/29/53/78/661295378.db2.gz PFIDGDJFNIUTCC-UHFFFAOYSA-N -1 0 372.399 -0.481 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000851498204 661295327 /nfs/dbraw/zinc/29/53/27/661295327.db2.gz PJSATFZUGTUOSV-CYBMUJFWSA-N -1 0 372.399 -0.116 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000851498205 661295392 /nfs/dbraw/zinc/29/53/92/661295392.db2.gz PJSATFZUGTUOSV-ZDUSSCGKSA-N -1 0 372.399 -0.116 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)nc1 ZINC000851498211 661295385 /nfs/dbraw/zinc/29/53/85/661295385.db2.gz PQQOBUSAAGVGAR-UHFFFAOYSA-N -1 0 373.431 -0.361 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000851498220 661295398 /nfs/dbraw/zinc/29/53/98/661295398.db2.gz QBEXSGIQCCONFB-UHFFFAOYSA-N -1 0 358.372 -0.262 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)Cn1c(=O)cnc2ccccc21 ZINC000851498241 661295307 /nfs/dbraw/zinc/29/53/07/661295307.db2.gz RHXQHUWITZRKPU-UHFFFAOYSA-N -1 0 369.399 -0.496 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(C)nn2C ZINC000851498247 661295383 /nfs/dbraw/zinc/29/53/83/661295383.db2.gz RPWBKPRVJYUTRT-UHFFFAOYSA-N -1 0 356.404 -0.002 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)Cn1c2ccccc2n(C)c1=O ZINC000851498380 661295362 /nfs/dbraw/zinc/29/53/62/661295362.db2.gz URUILIXNOOIBMA-UHFFFAOYSA-N -1 0 371.415 -0.553 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1csc(NC(C)=O)n1 ZINC000851498399 661295347 /nfs/dbraw/zinc/29/53/47/661295347.db2.gz UYKSDTLNFWQSCO-UHFFFAOYSA-N -1 0 351.406 -0.178 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(-n2cncn2)cc1 ZINC000851498481 661295358 /nfs/dbraw/zinc/29/53/58/661295358.db2.gz XKZSJPHAJJVNEE-UHFFFAOYSA-N -1 0 354.388 -0.012 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nncn1C ZINC000851498629 661295374 /nfs/dbraw/zinc/29/53/74/661295374.db2.gz ATCTVONRPYXNOW-MRVPVSSYSA-N -1 0 352.438 -0.597 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H](C)Sc1nncn1C ZINC000851498630 661295379 /nfs/dbraw/zinc/29/53/79/661295379.db2.gz ATCTVONRPYXNOW-QMMMGPOBSA-N -1 0 352.438 -0.597 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CSc1nnnn1C1CC1 ZINC000851498634 661295323 /nfs/dbraw/zinc/29/53/23/661295323.db2.gz AXUUDCBAMZWCSU-UHFFFAOYSA-N -1 0 365.437 -0.793 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)c(C)c1 ZINC000851498736 661295397 /nfs/dbraw/zinc/29/53/97/661295397.db2.gz GDKLMTJBVBBHFZ-UHFFFAOYSA-N -1 0 369.403 -0.308 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000851498753 661295376 /nfs/dbraw/zinc/29/53/76/661295376.db2.gz GLQAFCPJEYXWOG-CYBMUJFWSA-N -1 0 357.384 -0.125 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000851498756 661295387 /nfs/dbraw/zinc/29/53/87/661295387.db2.gz GLQAFCPJEYXWOG-ZDUSSCGKSA-N -1 0 357.384 -0.125 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000851498862 661295402 /nfs/dbraw/zinc/29/54/02/661295402.db2.gz INEDREJAPAEIGD-UHFFFAOYSA-N -1 0 369.399 -0.346 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CN(C)C(=O)c1cccs1 ZINC000851498887 661295351 /nfs/dbraw/zinc/29/53/51/661295351.db2.gz JCAQSBHHGCVTBL-UHFFFAOYSA-N -1 0 364.445 -0.073 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@]12CCC(=O)N1CCS2 ZINC000851498999 661295366 /nfs/dbraw/zinc/29/53/66/661295366.db2.gz KMEXHNRRLPAGAL-GFCCVEGCSA-N -1 0 352.434 -0.841 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@]12CCC(=O)N1CCS2 ZINC000851499002 661295399 /nfs/dbraw/zinc/29/53/99/661295399.db2.gz KMEXHNRRLPAGAL-LBPRGKRZSA-N -1 0 352.434 -0.841 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C[C@@H](NC(N)=O)c1ccccc1 ZINC000851499009 661295356 /nfs/dbraw/zinc/29/53/56/661295356.db2.gz KNQVJBNDMRATHW-CYBMUJFWSA-N -1 0 373.431 -0.107 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C[C@H](NC(N)=O)c1ccccc1 ZINC000851499014 661295342 /nfs/dbraw/zinc/29/53/42/661295342.db2.gz KNQVJBNDMRATHW-ZDUSSCGKSA-N -1 0 373.431 -0.107 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC000851499027 661295381 /nfs/dbraw/zinc/29/53/81/661295381.db2.gz LBYCUOJVMLPKKZ-LLVKDONJSA-N -1 0 350.437 -0.402 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC000851499030 661295401 /nfs/dbraw/zinc/29/54/01/661295401.db2.gz LBYCUOJVMLPKKZ-NSHDSACASA-N -1 0 350.437 -0.402 20 0 FBADRM CCOC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)C(COC)COC)C1 ZINC000851499064 661295313 /nfs/dbraw/zinc/29/53/13/661295313.db2.gz LYFYCICXVLNCFL-LLVKDONJSA-N -1 0 366.436 -0.038 20 0 FBADRM CCOC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C(COC)COC)C1 ZINC000851499065 661295390 /nfs/dbraw/zinc/29/53/90/661295390.db2.gz LYFYCICXVLNCFL-NSHDSACASA-N -1 0 366.436 -0.038 20 0 FBADRM CCOC(=O)N1CCC(C(=O)[N-]S(=O)(=O)C(COC)COC)CC1 ZINC000851499067 661295344 /nfs/dbraw/zinc/29/53/44/661295344.db2.gz MAPZTUDVMUGGSN-UHFFFAOYSA-N -1 0 366.436 -0.038 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccccc1OCC(N)=O ZINC000851499072 661295468 /nfs/dbraw/zinc/29/54/68/661295468.db2.gz MEALEDJEBVZIRW-UHFFFAOYSA-N -1 0 360.388 -0.728 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccccc1 ZINC000851499073 661295521 /nfs/dbraw/zinc/29/55/21/661295521.db2.gz MEROVVMHVAQKBP-UHFFFAOYSA-N -1 0 372.443 -0.157 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000851499076 661295487 /nfs/dbraw/zinc/29/54/87/661295487.db2.gz MHYFMJOTUIPFRI-UHFFFAOYSA-N -1 0 373.387 -0.444 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C1CCCC1 ZINC000851499093 661295569 /nfs/dbraw/zinc/29/55/69/661295569.db2.gz MSUBBYRDXWLHSV-JTQLQIEISA-N -1 0 350.437 -0.211 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C1CCCC1 ZINC000851499094 661295555 /nfs/dbraw/zinc/29/55/55/661295555.db2.gz MSUBBYRDXWLHSV-SNVBAGLBSA-N -1 0 350.437 -0.211 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C1CCCC1 ZINC000851499105 661295464 /nfs/dbraw/zinc/29/54/64/661295464.db2.gz NAWWTSUKAHTJKE-CYBMUJFWSA-N -1 0 350.437 -0.211 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H](NC(C)=O)C1CCCC1 ZINC000851499106 661295485 /nfs/dbraw/zinc/29/54/85/661295485.db2.gz NAWWTSUKAHTJKE-ZDUSSCGKSA-N -1 0 350.437 -0.211 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cnn(C)c1-n1cccc1 ZINC000851499110 661295506 /nfs/dbraw/zinc/29/55/06/661295506.db2.gz NGLXKULCWOHTQL-UHFFFAOYSA-N -1 0 356.404 -0.068 20 0 FBADRM CCOC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)C(COC)COC)C(C)C ZINC000851499115 661295478 /nfs/dbraw/zinc/29/54/78/661295478.db2.gz NLIBRMIFCRKSTA-LLVKDONJSA-N -1 0 354.425 -0.136 20 0 FBADRM CCOC(=O)N[C@H](C(=O)[N-]S(=O)(=O)C(COC)COC)C(C)C ZINC000851499116 661295447 /nfs/dbraw/zinc/29/54/47/661295447.db2.gz NLIBRMIFCRKSTA-NSHDSACASA-N -1 0 354.425 -0.136 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cccc(OCC(N)=O)c1 ZINC000851499219 661295511 /nfs/dbraw/zinc/29/55/11/661295511.db2.gz NNECSFIGEUSNAS-UHFFFAOYSA-N -1 0 360.388 -0.728 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CCS(=O)(=O)C1CCCC1 ZINC000851499221 661295514 /nfs/dbraw/zinc/29/55/14/661295514.db2.gz NOJCXOSWLBPGDD-UHFFFAOYSA-N -1 0 371.477 -0.159 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000851499234 661295451 /nfs/dbraw/zinc/29/54/51/661295451.db2.gz NZMQCQPWELATCY-JTQLQIEISA-N -1 0 350.437 -0.259 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000851499235 661295530 /nfs/dbraw/zinc/29/55/30/661295530.db2.gz NZMQCQPWELATCY-SNVBAGLBSA-N -1 0 350.437 -0.259 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(CNC(N)=O)cc1 ZINC000851499268 661295436 /nfs/dbraw/zinc/29/54/36/661295436.db2.gz PCANRCFNSNBFQW-UHFFFAOYSA-N -1 0 359.404 -0.424 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000851499304 661295552 /nfs/dbraw/zinc/29/55/52/661295552.db2.gz QJIGDKBEDQTFQG-UHFFFAOYSA-N -1 0 371.415 -0.063 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cnn(-c2ccccc2)n1 ZINC000851499311 661295484 /nfs/dbraw/zinc/29/54/84/661295484.db2.gz QRPCEZSDOFYGBE-UHFFFAOYSA-N -1 0 354.388 -0.012 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000851499313 661295542 /nfs/dbraw/zinc/29/55/42/661295542.db2.gz QZBFCWTTWJULOA-UHFFFAOYSA-N -1 0 365.452 -0.513 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000851499424 661295545 /nfs/dbraw/zinc/29/55/45/661295545.db2.gz RFNAICCEKFFUQF-LLVKDONJSA-N -1 0 358.416 -0.088 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000851499425 661295502 /nfs/dbraw/zinc/29/55/02/661295502.db2.gz RFNAICCEKFFUQF-NSHDSACASA-N -1 0 358.416 -0.088 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)Cn1cc(Br)cn1 ZINC000851499434 661295522 /nfs/dbraw/zinc/29/55/22/661295522.db2.gz RPCIWVXWHIVJJR-UHFFFAOYSA-N -1 0 370.225 -0.247 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1sccc1-n1cnnn1 ZINC000851499637 661295539 /nfs/dbraw/zinc/29/55/39/661295539.db2.gz WKCKEULSKVVMED-UHFFFAOYSA-N -1 0 361.405 -0.555 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O ZINC000851499648 661295490 /nfs/dbraw/zinc/29/54/90/661295490.db2.gz WYXCSRCMLXFIKZ-UHFFFAOYSA-N -1 0 350.393 -0.977 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cn(-c2ccccc2)nn1 ZINC000851499662 661295574 /nfs/dbraw/zinc/29/55/74/661295574.db2.gz XQCIJTXOXZEPMU-UHFFFAOYSA-N -1 0 354.388 -0.012 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000851499695 661295565 /nfs/dbraw/zinc/29/55/65/661295565.db2.gz YPGKVPJSUHECNV-GWCFXTLKSA-N -1 0 366.461 -0.452 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000851499696 661295526 /nfs/dbraw/zinc/29/55/26/661295526.db2.gz YPGKVPJSUHECNV-GXFFZTMASA-N -1 0 366.461 -0.452 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000851499697 661295455 /nfs/dbraw/zinc/29/54/55/661295455.db2.gz YPGKVPJSUHECNV-MFKMUULPSA-N -1 0 366.461 -0.452 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000851499698 661295562 /nfs/dbraw/zinc/29/55/62/661295562.db2.gz YPGKVPJSUHECNV-ZWNOBZJWSA-N -1 0 366.461 -0.452 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000851499721 661295482 /nfs/dbraw/zinc/29/54/82/661295482.db2.gz ZKMKPXNLXOOILS-LLVKDONJSA-N -1 0 362.448 -0.115 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000851499722 661295441 /nfs/dbraw/zinc/29/54/41/661295441.db2.gz ZKMKPXNLXOOILS-NSHDSACASA-N -1 0 362.448 -0.115 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000851499936 661295550 /nfs/dbraw/zinc/29/55/50/661295550.db2.gz ANDVHDKGQPYUOS-UHFFFAOYSA-N -1 0 361.420 -0.072 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CN1CCCCCCC1=O ZINC000851499956 661295536 /nfs/dbraw/zinc/29/55/36/661295536.db2.gz BDWITIQNEMFCIC-UHFFFAOYSA-N -1 0 350.437 -0.114 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)COc1ccc(C(N)=O)cc1 ZINC000851499959 661295499 /nfs/dbraw/zinc/29/54/99/661295499.db2.gz BGNIMWSPLOPCGD-UHFFFAOYSA-N -1 0 360.388 -0.728 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC000851499984 661295558 /nfs/dbraw/zinc/29/55/58/661295558.db2.gz BVGPJEGPPVONBQ-UHFFFAOYSA-N -1 0 357.388 0.000 20 0 FBADRM CCC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)C(COC)COC)C1 ZINC000851499985 661295496 /nfs/dbraw/zinc/29/54/96/661295496.db2.gz BVWCFYMUORJDRP-LLVKDONJSA-N -1 0 350.437 -0.258 20 0 FBADRM CCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C(COC)COC)C1 ZINC000851499986 661295470 /nfs/dbraw/zinc/29/54/70/661295470.db2.gz BVWCFYMUORJDRP-NSHDSACASA-N -1 0 350.437 -0.258 20 0 FBADRM CCCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)C(COC)COC ZINC000851499987 661295517 /nfs/dbraw/zinc/29/55/17/661295517.db2.gz BWFMBUYHYNZPND-GFCCVEGCSA-N -1 0 350.437 -0.115 20 0 FBADRM CCCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)C(COC)COC ZINC000851499988 661295780 /nfs/dbraw/zinc/29/57/80/661295780.db2.gz BWFMBUYHYNZPND-LBPRGKRZSA-N -1 0 350.437 -0.115 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(=O)OC ZINC000851499990 661295710 /nfs/dbraw/zinc/29/57/10/661295710.db2.gz BWFPTBUGIAZYCM-NSHDSACASA-N -1 0 354.425 -0.136 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000851500091 661295703 /nfs/dbraw/zinc/29/57/03/661295703.db2.gz GDRRKQJZLZDBEL-GFCCVEGCSA-N -1 0 350.437 -0.259 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000851500092 661295737 /nfs/dbraw/zinc/29/57/37/661295737.db2.gz GDRRKQJZLZDBEL-LBPRGKRZSA-N -1 0 350.437 -0.259 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)n1 ZINC000851500152 661295747 /nfs/dbraw/zinc/29/57/47/661295747.db2.gz IRRGVRSYZTZYKG-UHFFFAOYSA-N -1 0 368.415 -0.083 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CN1Cc2ccccc2C1=O ZINC000851500216 661295727 /nfs/dbraw/zinc/29/57/27/661295727.db2.gz KXCWVLMTQJVKKQ-UHFFFAOYSA-N -1 0 356.400 -0.250 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000851500222 661295784 /nfs/dbraw/zinc/29/57/84/661295784.db2.gz LGSPLGVXLORDAG-GFCCVEGCSA-N -1 0 362.448 -0.258 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000851500223 661295723 /nfs/dbraw/zinc/29/57/23/661295723.db2.gz LGSPLGVXLORDAG-LBPRGKRZSA-N -1 0 362.448 -0.258 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)Cn1c(C)c(C)sc1=O ZINC000851500279 661295766 /nfs/dbraw/zinc/29/57/66/661295766.db2.gz NPQXPIGZOLAIIX-UHFFFAOYSA-N -1 0 352.434 -0.366 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2)nn1 ZINC000851500288 661295718 /nfs/dbraw/zinc/29/57/18/661295718.db2.gz OEQQJIXJCSOSHF-UHFFFAOYSA-N -1 0 358.420 -0.202 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)C(COC)COC)ccc1=O ZINC000851500425 661295715 /nfs/dbraw/zinc/29/57/15/661295715.db2.gz QZNWESIGGRSJRY-UHFFFAOYSA-N -1 0 362.404 -0.784 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N1CCCC1=O ZINC000851500427 661295752 /nfs/dbraw/zinc/29/57/52/661295752.db2.gz RCZCZRHCNVJPME-CYBMUJFWSA-N -1 0 350.437 -0.259 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N1CCCC1=O ZINC000851500428 661295732 /nfs/dbraw/zinc/29/57/32/661295732.db2.gz RCZCZRHCNVJPME-ZDUSSCGKSA-N -1 0 350.437 -0.259 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000851500444 661295739 /nfs/dbraw/zinc/29/57/39/661295739.db2.gz RSBRZIVTBFVXKQ-UHFFFAOYSA-N -1 0 373.431 -0.028 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000851500614 661295724 /nfs/dbraw/zinc/29/57/24/661295724.db2.gz BEJUUAREMONRSB-UHFFFAOYSA-N -1 0 357.450 -0.691 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CN(C)C(=O)OC(C)(C)C ZINC000851500756 661295729 /nfs/dbraw/zinc/29/57/29/661295729.db2.gz WFNDSFDRJUIOEN-UHFFFAOYSA-N -1 0 354.425 -0.039 20 0 FBADRM CNC(=O)c1cncc(/C=C\C(=O)[N-]S(=O)(=O)C(COC)COC)c1 ZINC000851500778 661295764 /nfs/dbraw/zinc/29/57/64/661295764.db2.gz WMANHCKYRAHPFC-PLNGDYQASA-N -1 0 371.415 -0.438 20 0 FBADRM CNC(=O)c1cncc(/C=C/C(=O)[N-]S(=O)(=O)C(COC)COC)c1 ZINC000851500782 661295749 /nfs/dbraw/zinc/29/57/49/661295749.db2.gz WMANHCKYRAHPFC-SNAWJCMRSA-N -1 0 371.415 -0.438 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnc2)cc1 ZINC000851500857 661295696 /nfs/dbraw/zinc/29/56/96/661295696.db2.gz YBPDIHFPACQGKB-UHFFFAOYSA-N -1 0 354.388 -0.012 20 0 FBADRM CCC(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)C(COC)COC ZINC000851500913 661295744 /nfs/dbraw/zinc/29/57/44/661295744.db2.gz YWFGGUUFJGESEK-GFCCVEGCSA-N -1 0 350.437 -0.115 20 0 FBADRM CCC(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C(COC)COC ZINC000851500914 661295758 /nfs/dbraw/zinc/29/57/58/661295758.db2.gz YWFGGUUFJGESEK-LBPRGKRZSA-N -1 0 350.437 -0.115 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cn(Cc2ccccn2)nn1 ZINC000851501066 661295700 /nfs/dbraw/zinc/29/57/00/661295700.db2.gz HTFVFMOBCBNQTL-UHFFFAOYSA-N -1 0 369.403 -0.558 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C1CCN(c2cnccn2)CC1 ZINC000851501086 661295712 /nfs/dbraw/zinc/29/57/12/661295712.db2.gz IJHDMTDRQMJNKM-UHFFFAOYSA-N -1 0 372.447 -0.200 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cccc(-n2cccn2)n1 ZINC000851501121 661295789 /nfs/dbraw/zinc/29/57/89/661295789.db2.gz JVWAPWUHZHIZQU-UHFFFAOYSA-N -1 0 354.388 -0.012 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CCCNC(=O)c1cccnc1 ZINC000851501183 661295760 /nfs/dbraw/zinc/29/57/60/661295760.db2.gz MBYPIYHOQKSBQE-UHFFFAOYSA-N -1 0 373.431 -0.301 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccnc(-n2cccn2)c1 ZINC000851501331 661295775 /nfs/dbraw/zinc/29/57/75/661295775.db2.gz QWVMOEWZMWTRDH-UHFFFAOYSA-N -1 0 354.388 -0.012 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cccc(-n2cncn2)c1 ZINC000851501486 661295755 /nfs/dbraw/zinc/29/57/55/661295755.db2.gz XFHCNTIHPXURGX-UHFFFAOYSA-N -1 0 354.388 -0.012 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000851501496 661295782 /nfs/dbraw/zinc/29/57/82/661295782.db2.gz XRWSTGFEDFQUSU-UHFFFAOYSA-N -1 0 357.388 0.000 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cncc(-n2ccnn2)c1 ZINC000851501587 661295705 /nfs/dbraw/zinc/29/57/05/661295705.db2.gz BJTUEHCHZPDDME-UHFFFAOYSA-N -1 0 355.376 -0.617 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1CN(C)C(=O)c2ccccc21 ZINC000851501613 661295708 /nfs/dbraw/zinc/29/57/08/661295708.db2.gz BVPIPICPPQUNOB-AWEZNQCLSA-N -1 0 370.427 -0.037 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CN(C)C(=O)c2ccccc21 ZINC000851501614 661295734 /nfs/dbraw/zinc/29/57/34/661295734.db2.gz BVPIPICPPQUNOB-CQSZACIVSA-N -1 0 370.427 -0.037 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CN1CCc2ccccc2C1=O ZINC000851501615 661295769 /nfs/dbraw/zinc/29/57/69/661295769.db2.gz BZRSAFHKKGJGOK-UHFFFAOYSA-N -1 0 370.427 -0.208 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000851501700 661295945 /nfs/dbraw/zinc/29/59/45/661295945.db2.gz BIYMHRGIVWLUGI-GFCCVEGCSA-N -1 0 374.415 -0.030 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000851501721 661295953 /nfs/dbraw/zinc/29/59/53/661295953.db2.gz BIYMHRGIVWLUGI-LBPRGKRZSA-N -1 0 374.415 -0.030 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CCc1ccccc1C(N)=O ZINC000851501764 661295968 /nfs/dbraw/zinc/29/59/68/661295968.db2.gz HNFCMBVJSHADMS-UHFFFAOYSA-N -1 0 358.416 -0.175 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(OC)cc1 ZINC000851501809 661296013 /nfs/dbraw/zinc/29/60/13/661296013.db2.gz CRCBQYIMKOHELR-UHFFFAOYSA-N -1 0 374.415 -0.468 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cnn(C)c1Br ZINC000851501840 661295966 /nfs/dbraw/zinc/29/59/66/661295966.db2.gz IVDYSDPMBTWDTR-UHFFFAOYSA-N -1 0 370.225 -0.096 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cc(Br)nn1C ZINC000851502010 661295981 /nfs/dbraw/zinc/29/59/81/661295981.db2.gz KUOJRAHVCOTNSM-UHFFFAOYSA-N -1 0 370.225 -0.096 20 0 FBADRM COCCOc1cc(C(=O)[N-]S(=O)(=O)C(COC)COC)ccn1 ZINC000851502016 661295920 /nfs/dbraw/zinc/29/59/20/661295920.db2.gz GZYRXRAECYPSRM-UHFFFAOYSA-N -1 0 362.404 -0.172 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC000851502086 661295941 /nfs/dbraw/zinc/29/59/41/661295941.db2.gz MBBJJGNLVCWTBX-UHFFFAOYSA-N -1 0 371.419 -0.458 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CCc1ccc(C(N)=O)cc1 ZINC000851502107 661296005 /nfs/dbraw/zinc/29/60/05/661296005.db2.gz AJFRFMOCLNLZSE-UHFFFAOYSA-N -1 0 358.416 -0.175 20 0 FBADRM CCOC(=O)c1ccc(C(=O)[N-]S(=O)(=O)C(COC)COC)nc1 ZINC000851502124 661295934 /nfs/dbraw/zinc/29/59/34/661295934.db2.gz AWIUDOKFDQGPFE-UHFFFAOYSA-N -1 0 360.388 -0.021 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1nn(C)cc1Br ZINC000851502170 661296007 /nfs/dbraw/zinc/29/60/07/661296007.db2.gz CHLYPJCVOUCVCE-UHFFFAOYSA-N -1 0 370.225 -0.096 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccn(CCn2cccn2)n1 ZINC000851502178 661295926 /nfs/dbraw/zinc/29/59/26/661295926.db2.gz CNYHPHLFOKPPQQ-UHFFFAOYSA-N -1 0 371.419 -0.499 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1csc(S(C)(=O)=O)c1 ZINC000851502259 661295978 /nfs/dbraw/zinc/29/59/78/661295978.db2.gz JURZNUMLMXGPHU-UHFFFAOYSA-N -1 0 371.458 -0.127 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cc(OC(F)F)n(C)n1 ZINC000851502268 661295932 /nfs/dbraw/zinc/29/59/32/661295932.db2.gz KBZVDJPYZGGWKY-UHFFFAOYSA-N -1 0 357.335 -0.258 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(F)cc1 ZINC000851502337 661295950 /nfs/dbraw/zinc/29/59/50/661295950.db2.gz LDWGMSFDMYFLPV-UHFFFAOYSA-N -1 0 362.379 -0.337 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H](CC1CCC1)NC(C)=O ZINC000851502386 661295916 /nfs/dbraw/zinc/29/59/16/661295916.db2.gz NUGSVXKGADGXHR-CYBMUJFWSA-N -1 0 350.437 -0.211 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)nc1 ZINC000851502442 661295925 /nfs/dbraw/zinc/29/59/25/661295925.db2.gz PQZZFCYIKQTJCU-UHFFFAOYSA-N -1 0 354.388 -0.012 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C1=NN(CC(C)C)C(=O)CC1 ZINC000851502692 661296016 /nfs/dbraw/zinc/29/60/16/661296016.db2.gz QXHUNQVUVQSHEX-UHFFFAOYSA-N -1 0 363.436 -0.272 20 0 FBADRM COCCOc1cncc(C(=O)[N-]S(=O)(=O)C(COC)COC)c1 ZINC000851502776 661296011 /nfs/dbraw/zinc/29/60/11/661296011.db2.gz UWSBJUMFJSHTJS-UHFFFAOYSA-N -1 0 362.404 -0.172 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cnc(OCC2CC2)cn1 ZINC000851502829 661295947 /nfs/dbraw/zinc/29/59/47/661295947.db2.gz WMHDHUCXVOZWDU-UHFFFAOYSA-N -1 0 359.404 -0.014 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H](C)N(C)CC(F)(F)F ZINC000851502861 661295971 /nfs/dbraw/zinc/29/59/71/661295971.db2.gz XPANVDWHODOWIZ-MRVPVSSYSA-N -1 0 350.359 -0.024 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H](C)N(C)CC(F)(F)F ZINC000851502862 661295930 /nfs/dbraw/zinc/29/59/30/661295930.db2.gz XPANVDWHODOWIZ-QMMMGPOBSA-N -1 0 350.359 -0.024 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1-n1cccn1 ZINC000851502864 661295998 /nfs/dbraw/zinc/29/59/98/661295998.db2.gz XQBOEJKRGMABTQ-UHFFFAOYSA-N -1 0 371.419 -0.365 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000851502869 661295994 /nfs/dbraw/zinc/29/59/94/661295994.db2.gz XYGQLAHLBBSHTB-SECBINFHSA-N -1 0 362.370 -0.022 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000851502870 661295984 /nfs/dbraw/zinc/29/59/84/661295984.db2.gz XYGQLAHLBBSHTB-VIFPVBQESA-N -1 0 362.370 -0.022 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)F ZINC000851502943 661295913 /nfs/dbraw/zinc/29/59/13/661295913.db2.gz ZJGOOYFMRAVFHC-JTQLQIEISA-N -1 0 360.379 -0.940 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)F ZINC000851502944 661295937 /nfs/dbraw/zinc/29/59/37/661295937.db2.gz ZJGOOYFMRAVFHC-SNVBAGLBSA-N -1 0 360.379 -0.940 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000851502996 661295939 /nfs/dbraw/zinc/29/59/39/661295939.db2.gz NAQCQZSFKDYQCT-UHFFFAOYSA-N -1 0 371.458 -0.127 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000851503005 661295908 /nfs/dbraw/zinc/29/59/08/661295908.db2.gz NLJJLWBEOXSGMY-UHFFFAOYSA-N -1 0 366.436 -0.039 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccnc(-n2ccnc2)c1 ZINC000851503015 661295955 /nfs/dbraw/zinc/29/59/55/661295955.db2.gz ODWPSCBTSPTBFF-UHFFFAOYSA-N -1 0 354.388 -0.012 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cccc2c1oc(=O)n2C ZINC000851503133 661295944 /nfs/dbraw/zinc/29/59/44/661295944.db2.gz QIKUSWLFAGYHOB-UHFFFAOYSA-N -1 0 358.372 -0.148 20 0 FBADRM COCCOc1ncccc1C(=O)[N-]S(=O)(=O)C(COC)COC ZINC000851503179 661295989 /nfs/dbraw/zinc/29/59/89/661295989.db2.gz SMEGHTZJKAOASC-UHFFFAOYSA-N -1 0 362.404 -0.172 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cncc(N2CCOCC2)c1 ZINC000851503190 661296000 /nfs/dbraw/zinc/29/60/00/661296000.db2.gz SVASFVUFIMPDFO-UHFFFAOYSA-N -1 0 373.431 -0.361 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ncn(-c2ccccc2)n1 ZINC000851503193 661296019 /nfs/dbraw/zinc/29/60/19/661296019.db2.gz SYAQCRODVLEJHI-UHFFFAOYSA-N -1 0 354.388 -0.012 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(-n2ccnn2)cc1 ZINC000851503200 661296003 /nfs/dbraw/zinc/29/60/03/661296003.db2.gz TZUWFOGJFBGJKX-UHFFFAOYSA-N -1 0 354.388 -0.012 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cnc2c(C)cccn2c1=O ZINC000851503207 661295987 /nfs/dbraw/zinc/29/59/87/661295987.db2.gz UDLAPHLMCBPYDI-UHFFFAOYSA-N -1 0 369.399 -0.276 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnc2)cc1 ZINC000851503282 661296146 /nfs/dbraw/zinc/29/61/46/661296146.db2.gz CYPTUDHFOMIFMA-UHFFFAOYSA-N -1 0 368.415 -0.083 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H](C)n1nnnc1C(C)(C)C ZINC000851503330 661296167 /nfs/dbraw/zinc/29/61/67/661296167.db2.gz VGSGPJIRIXNMIZ-SECBINFHSA-N -1 0 363.440 -0.361 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H](C)n1nnnc1C(C)(C)C ZINC000851503331 661296209 /nfs/dbraw/zinc/29/62/09/661296209.db2.gz VGSGPJIRIXNMIZ-VIFPVBQESA-N -1 0 363.440 -0.361 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cccc(-n2ccnn2)c1 ZINC000851503337 661296142 /nfs/dbraw/zinc/29/61/42/661296142.db2.gz VKZIKFLNQHIJJG-UHFFFAOYSA-N -1 0 354.388 -0.012 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cnc2c(cnn2C)c1OC ZINC000851503355 661296218 /nfs/dbraw/zinc/29/62/18/661296218.db2.gz WCAYPBQGGWCDCN-UHFFFAOYSA-N -1 0 372.403 -0.302 20 0 FBADRM COc1cc(F)ccc1S(=O)(=O)[N-]C(=O)CCCN1C(=O)CNC1=O ZINC000851503420 661296191 /nfs/dbraw/zinc/29/61/91/661296191.db2.gz FYCKJYLFFJRWNG-UHFFFAOYSA-N -1 0 373.362 -0.029 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000851503454 661296229 /nfs/dbraw/zinc/29/62/29/661296229.db2.gz GWJUOBFBASPZAC-INIZCTEOSA-N -1 0 370.427 -0.448 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000851503455 661296164 /nfs/dbraw/zinc/29/61/64/661296164.db2.gz GWJUOBFBASPZAC-MRXNPFEDSA-N -1 0 370.427 -0.448 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(-n2nnnc2C)cc1 ZINC000851503457 661296195 /nfs/dbraw/zinc/29/61/95/661296195.db2.gz GYULJDPZQVCEIX-UHFFFAOYSA-N -1 0 369.403 -0.308 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000851503588 661296240 /nfs/dbraw/zinc/29/62/40/661296240.db2.gz FWDKDENLSGIMEP-UHFFFAOYSA-N -1 0 361.420 -0.756 20 0 FBADRM CCOC(=O)c1cc(C(=O)[N-]S(=O)(=O)C(COC)COC)on1 ZINC000851503618 661296243 /nfs/dbraw/zinc/29/62/43/661296243.db2.gz HCYSBFUATRACOT-UHFFFAOYSA-N -1 0 350.349 -0.428 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccnn1C1CCOCC1 ZINC000851503680 661296154 /nfs/dbraw/zinc/29/61/54/661296154.db2.gz JWYBGUBRHSRFRW-UHFFFAOYSA-N -1 0 361.420 -0.044 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000851503707 661296138 /nfs/dbraw/zinc/29/61/38/661296138.db2.gz JIMLAIKHMPXRTD-TXEJJXNPSA-N -1 0 374.415 -0.955 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCCCC1 ZINC000851503712 661296214 /nfs/dbraw/zinc/29/62/14/661296214.db2.gz LBYNRCZGDUQKMT-UHFFFAOYSA-N -1 0 361.424 -0.560 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000851503747 661296185 /nfs/dbraw/zinc/29/61/85/661296185.db2.gz LOFYGYYGAZXJCG-JHJVBQTASA-N -1 0 362.448 -0.211 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12 ZINC000851503749 661296245 /nfs/dbraw/zinc/29/62/45/661296245.db2.gz LOFYGYYGAZXJCG-UPJWGTAASA-N -1 0 362.448 -0.211 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12 ZINC000851503752 661296123 /nfs/dbraw/zinc/29/61/23/661296123.db2.gz LOFYGYYGAZXJCG-XQQFMLRXSA-N -1 0 362.448 -0.211 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000851503754 661296198 /nfs/dbraw/zinc/29/61/98/661296198.db2.gz LOFYGYYGAZXJCG-YNEHKIRRSA-N -1 0 362.448 -0.211 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C1CCN(C(=O)OC)CC1 ZINC000851503853 661296170 /nfs/dbraw/zinc/29/61/70/661296170.db2.gz MTHNWGYNSWYRSE-UHFFFAOYSA-N -1 0 352.409 -0.428 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C1CCC(C(=O)N(C)C)CC1 ZINC000851503868 661296131 /nfs/dbraw/zinc/29/61/31/661296131.db2.gz MYOCAKLKGALYRE-UHFFFAOYSA-N -1 0 364.464 -0.012 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cn(-c2cccnc2)nn1 ZINC000851503986 661296118 /nfs/dbraw/zinc/29/61/18/661296118.db2.gz ODNQQGZDEFLMKP-UHFFFAOYSA-N -1 0 355.376 -0.617 20 0 FBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)C(COC)COC)CCOCC1 ZINC000851504031 661296226 /nfs/dbraw/zinc/29/62/26/661296226.db2.gz QMAHMANTKOGNPR-UHFFFAOYSA-N -1 0 367.420 -0.546 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)OC)C(=O)[N-]S(=O)(=O)C(COC)COC ZINC000851504046 661296222 /nfs/dbraw/zinc/29/62/22/661296222.db2.gz RCPTVECYZUABHM-ONGXEEELSA-N -1 0 354.425 -0.136 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@](C)(OC)C(=O)OC(C)(C)C ZINC000851504109 661296232 /nfs/dbraw/zinc/29/62/32/661296232.db2.gz PPTXJVNVGVQFHY-AWEZNQCLSA-N -1 0 369.436 -0.159 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@](C)(OC)C(=O)OC(C)(C)C ZINC000851504110 661296248 /nfs/dbraw/zinc/29/62/48/661296248.db2.gz PPTXJVNVGVQFHY-CQSZACIVSA-N -1 0 369.436 -0.159 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1nnn(-c2ccn(C)n2)c1C ZINC000851504163 661296182 /nfs/dbraw/zinc/29/61/82/661296182.db2.gz RYFPTUQVTPSISL-UHFFFAOYSA-N -1 0 372.407 -0.970 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cc(Br)n(C)n1 ZINC000851504169 661296190 /nfs/dbraw/zinc/29/61/90/661296190.db2.gz SBKHMUYPUIHBFQ-UHFFFAOYSA-N -1 0 370.225 -0.096 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)COCc1nnc(C)s1 ZINC000851504181 661296114 /nfs/dbraw/zinc/29/61/14/661296114.db2.gz SHNPAMBZTPXRBD-UHFFFAOYSA-N -1 0 353.422 -0.529 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)s1 ZINC000851504422 661296135 /nfs/dbraw/zinc/29/61/35/661296135.db2.gz WXYQXZQMFLFHBY-UHFFFAOYSA-N -1 0 371.458 -0.127 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1nnn(-c2cnn(C)c2)c1C ZINC000851504456 661296174 /nfs/dbraw/zinc/29/61/74/661296174.db2.gz YDEHIQSBFSEZNM-UHFFFAOYSA-N -1 0 372.407 -0.970 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1c(Br)cnn1C ZINC000851504531 661296121 /nfs/dbraw/zinc/29/61/21/661296121.db2.gz ZVAWIIWRVWFORF-UHFFFAOYSA-N -1 0 370.225 -0.096 20 0 FBADRM COc1cc(F)ccc1S(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O ZINC000851504670 661296129 /nfs/dbraw/zinc/29/61/29/661296129.db2.gz CMTSBAWHOJTCCZ-UHFFFAOYSA-N -1 0 354.381 -0.469 20 0 FBADRM COc1cc(F)ccc1S(=O)(=O)[N-]C(=O)CN1CCCS1(=O)=O ZINC000851504945 661296204 /nfs/dbraw/zinc/29/62/04/661296204.db2.gz MUPLZLKRUCKSSU-UHFFFAOYSA-N -1 0 366.392 -0.325 20 0 FBADRM COc1cc(F)ccc1S(=O)(=O)[N-]C(=O)CCn1ncn(C)c1=O ZINC000851505652 661296160 /nfs/dbraw/zinc/29/61/60/661296160.db2.gz KIGNZKMEUQJZJH-UHFFFAOYSA-N -1 0 358.351 -0.375 20 0 FBADRM COc1cc(F)ccc1S(=O)(=O)[N-]C(=O)Cn1nc(C)n(C)c1=O ZINC000851505970 661296236 /nfs/dbraw/zinc/29/62/36/661296236.db2.gz BNYXBSNQNBGACW-UHFFFAOYSA-N -1 0 358.351 -0.457 20 0 FBADRM COc1cc(F)ccc1S(=O)(=O)[N-]C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000851507148 661296201 /nfs/dbraw/zinc/29/62/01/661296201.db2.gz XHYHUVFIHJFSQC-LLVKDONJSA-N -1 0 366.392 -0.327 20 0 FBADRM COc1cc(F)ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000851507149 661296452 /nfs/dbraw/zinc/29/64/52/661296452.db2.gz XHYHUVFIHJFSQC-NSHDSACASA-N -1 0 366.392 -0.327 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)[N-]C(=O)CCN2C(=O)CCC2=O)cc1C ZINC000851509614 661296411 /nfs/dbraw/zinc/29/64/11/661296411.db2.gz GDVUIXXGGZOFQD-UHFFFAOYSA-N -1 0 372.355 -0.281 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O)cc1C ZINC000851510173 661296431 /nfs/dbraw/zinc/29/64/31/661296431.db2.gz ONEBLQPUZPPJSP-UHFFFAOYSA-N -1 0 368.389 -0.929 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN(C(N)=O)C2)cc1C ZINC000851510597 661296446 /nfs/dbraw/zinc/29/64/46/661296446.db2.gz YXBOYQUKWAIMTM-SECBINFHSA-N -1 0 373.387 -0.030 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN(C(N)=O)C2)cc1C ZINC000851510598 661296437 /nfs/dbraw/zinc/29/64/37/661296437.db2.gz YXBOYQUKWAIMTM-VIFPVBQESA-N -1 0 373.387 -0.030 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)cc1C ZINC000851510654 661296435 /nfs/dbraw/zinc/29/64/35/661296435.db2.gz BFVIGLIRLOLXGG-UHFFFAOYSA-N -1 0 360.344 -0.962 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)[N-]C(=O)Cn2cc(C(C)=O)nn2)cc1C ZINC000851510769 661296441 /nfs/dbraw/zinc/29/64/41/661296441.db2.gz FQKMEKBUXFZQDV-UHFFFAOYSA-N -1 0 370.343 -0.326 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)[N-]C(=O)CCn2ncn(C)c2=O)cc1C ZINC000851510782 661296432 /nfs/dbraw/zinc/29/64/32/661296432.db2.gz GBLXYBTWHOUFMI-UHFFFAOYSA-N -1 0 372.359 -0.835 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)c2cc(C)c(C(=O)OC)o2)nn1 ZINC000851510789 661296458 /nfs/dbraw/zinc/29/64/58/661296458.db2.gz GEFPRVOWVPXIEP-UHFFFAOYSA-N -1 0 372.359 -0.269 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)[N-]C(=O)CCc2cnn(C)n2)cc1C ZINC000851510840 661296442 /nfs/dbraw/zinc/29/64/42/661296442.db2.gz HIZFJTOKSOIYCU-UHFFFAOYSA-N -1 0 356.360 -0.059 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)[N-]C(=O)CCn2cnccc2=O)cc1C ZINC000851511039 661296444 /nfs/dbraw/zinc/29/64/44/661296444.db2.gz MESBIDTUWIVYRX-UHFFFAOYSA-N -1 0 369.355 -0.173 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)[N-]C(=O)CS(=O)(=O)C2CC2)cc1C ZINC000851511083 661296429 /nfs/dbraw/zinc/29/64/29/661296429.db2.gz NODQLNJNBMXIFW-UHFFFAOYSA-N -1 0 365.385 -0.243 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1 ZINC000851511780 661296451 /nfs/dbraw/zinc/29/64/51/661296451.db2.gz HLPZGTXKOVSCEB-UHFFFAOYSA-N -1 0 362.360 -0.716 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)[N-]C(=O)CCc2cn(C)nn2)cc1C ZINC000851511827 661296461 /nfs/dbraw/zinc/29/64/61/661296461.db2.gz DGWNBUZDSAQHDZ-UHFFFAOYSA-N -1 0 356.360 -0.059 20 0 FBADRM Cn1ncc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)OC(C)(C)C)no2)n1 ZINC000851512029 661296457 /nfs/dbraw/zinc/29/64/57/661296457.db2.gz JFBAIGAJBZXKNE-UHFFFAOYSA-N -1 0 357.348 -0.123 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)[N-]C(=O)Cn2nc(C)n(C)c2=O)cc1C ZINC000851512260 661296425 /nfs/dbraw/zinc/29/64/25/661296425.db2.gz NDHFWEMWBUGTRP-UHFFFAOYSA-N -1 0 372.359 -0.917 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1 ZINC000851512304 661296421 /nfs/dbraw/zinc/29/64/21/661296421.db2.gz NVYFHEDZYQPYTQ-JTQLQIEISA-N -1 0 360.388 -0.100 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1 ZINC000851512305 661296450 /nfs/dbraw/zinc/29/64/50/661296450.db2.gz NVYFHEDZYQPYTQ-SNVBAGLBSA-N -1 0 360.388 -0.100 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)OC(C)(C)C)no2)nn1 ZINC000851512857 661296466 /nfs/dbraw/zinc/29/64/66/661296466.db2.gz YEVFGLXRLMXCCE-UHFFFAOYSA-N -1 0 357.348 -0.123 20 0 FBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)OC(C)(C)C)no2)n1 ZINC000851513000 661296426 /nfs/dbraw/zinc/29/64/26/661296426.db2.gz ZGOFRQKUVPWJSX-UHFFFAOYSA-N -1 0 357.348 -0.123 20 0 FBADRM Cn1nncc1C(=O)[N-]S(=O)(=O)c1cc(C(=O)OC(C)(C)C)no1 ZINC000851513196 661296456 /nfs/dbraw/zinc/29/64/56/661296456.db2.gz IKQQLYXZJVWEGJ-UHFFFAOYSA-N -1 0 357.348 -0.123 20 0 FBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2cc(C(=O)OC(C)(C)C)no2)C1 ZINC000851513253 661296438 /nfs/dbraw/zinc/29/64/38/661296438.db2.gz KOXBWSIOMLDDSV-UHFFFAOYSA-N -1 0 373.387 -0.087 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)OC(C)(C)C)no2)C1=O ZINC000851513442 661296459 /nfs/dbraw/zinc/29/64/59/661296459.db2.gz QWNGSQCFSMOKCW-MRVPVSSYSA-N -1 0 373.387 -0.087 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)OC(C)(C)C)no2)C1=O ZINC000851513443 661296433 /nfs/dbraw/zinc/29/64/33/661296433.db2.gz QWNGSQCFSMOKCW-QMMMGPOBSA-N -1 0 373.387 -0.087 20 0 FBADRM CC(C)(C)OC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)on1 ZINC000851513582 661296416 /nfs/dbraw/zinc/29/64/16/661296416.db2.gz VWTUTOUKBMDTIX-MRVPVSSYSA-N -1 0 373.387 -0.039 20 0 FBADRM CC(C)(C)OC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)on1 ZINC000851513583 661296449 /nfs/dbraw/zinc/29/64/49/661296449.db2.gz VWTUTOUKBMDTIX-QMMMGPOBSA-N -1 0 373.387 -0.039 20 0 FBADRM CC(C)(C)OC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@H]2COCCO2)on1 ZINC000851513766 661296436 /nfs/dbraw/zinc/29/64/36/661296436.db2.gz BMOYONLVLJUULR-SECBINFHSA-N -1 0 362.360 -0.150 20 0 FBADRM CC(C)(C)OC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCO2)on1 ZINC000851513767 661296453 /nfs/dbraw/zinc/29/64/53/661296453.db2.gz BMOYONLVLJUULR-VIFPVBQESA-N -1 0 362.360 -0.150 20 0 FBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cc(C(=O)OC(C)(C)C)no1 ZINC000851513773 661296462 /nfs/dbraw/zinc/29/64/62/661296462.db2.gz BZKCMNKWGUMPAY-UHFFFAOYSA-N -1 0 361.376 -0.087 20 0 FBADRM CC(C)(C)OC(=O)c1cc(S(=O)(=O)[N-]C(=O)CS(C)(=O)=O)on1 ZINC000851513941 661296419 /nfs/dbraw/zinc/29/64/19/661296419.db2.gz KBEHUGRGJRQLPV-UHFFFAOYSA-N -1 0 368.389 -0.521 20 0 FBADRM CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)OC(C)(C)C)no1 ZINC000851514090 661296427 /nfs/dbraw/zinc/29/64/27/661296427.db2.gz PIBZEKWGHIRTNS-SSDOTTSWSA-N -1 0 361.376 -0.041 20 0 FBADRM CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)OC(C)(C)C)no1 ZINC000851514091 661296440 /nfs/dbraw/zinc/29/64/40/661296440.db2.gz PIBZEKWGHIRTNS-ZETCQYMHSA-N -1 0 361.376 -0.041 20 0 FBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1cc(C(=O)OC(C)(C)C)no1 ZINC000851514141 661296602 /nfs/dbraw/zinc/29/66/02/661296602.db2.gz RDWGKVKNHFDYAZ-UHFFFAOYSA-N -1 0 363.348 -0.209 20 0 FBADRM O=C([O-])/C=C/c1ccc(C(=O)NCCS(=O)(=O)N2CCOCC2)o1 ZINC000851594175 661296832 /nfs/dbraw/zinc/29/68/32/661296832.db2.gz GZLNUDUYCSPPME-DUXPYHPUSA-N -1 0 358.372 -0.231 20 0 FBADRM O=C([O-])/C=C\c1ccc(C(=O)NCCS(=O)(=O)N2CCOCC2)o1 ZINC000851594176 661296743 /nfs/dbraw/zinc/29/67/43/661296743.db2.gz GZLNUDUYCSPPME-RQOWECAXSA-N -1 0 358.372 -0.231 20 0 FBADRM O=C([O-])C1(C(=O)NCCS(=O)(=O)N2CCOCC2)CC2(CCC2)C1 ZINC000851594277 661296632 /nfs/dbraw/zinc/29/66/32/661296632.db2.gz IOTGWSCGQKWJSK-UHFFFAOYSA-N -1 0 360.432 -0.200 20 0 FBADRM C[C@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)C(=O)N1CCS(=O)(=O)CC1 ZINC000851596067 661296679 /nfs/dbraw/zinc/29/66/79/661296679.db2.gz QNEQTUHVAPYNFG-ATPLWMGHSA-N -1 0 370.383 -0.247 20 0 FBADRM C[C@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)C(=O)N1CCS(=O)(=O)CC1 ZINC000851596069 661296607 /nfs/dbraw/zinc/29/66/07/661296607.db2.gz QNEQTUHVAPYNFG-GFAPAMAISA-N -1 0 370.383 -0.247 20 0 FBADRM C[C@@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)C(=O)N1CCS(=O)(=O)CC1 ZINC000851596070 661296627 /nfs/dbraw/zinc/29/66/27/661296627.db2.gz QNEQTUHVAPYNFG-RXNUUUNCSA-N -1 0 370.383 -0.247 20 0 FBADRM C[C@@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)C(=O)N1CCS(=O)(=O)CC1 ZINC000851596072 661296798 /nfs/dbraw/zinc/29/67/98/661296798.db2.gz QNEQTUHVAPYNFG-TZGMSPROSA-N -1 0 370.383 -0.247 20 0 FBADRM O=C([O-])[C@]12CN(C(=O)C3(n4cnnn4)CCOCC3)C[C@H]1COCC2 ZINC000851603324 661296672 /nfs/dbraw/zinc/29/66/72/661296672.db2.gz OTFZJJCWXBNTLA-SMDDNHRTSA-N -1 0 351.363 -0.872 20 0 FBADRM O=C([O-])C[C@@]1(NC(=O)CC2(n3cnnn3)CCOCC2)CCCOC1 ZINC000851604906 661296959 /nfs/dbraw/zinc/29/69/59/661296959.db2.gz FUKNUNQSTBRFDY-AWEZNQCLSA-N -1 0 353.379 -0.291 20 0 FBADRM O=C([O-])C[C@]1(NC(=O)CC2(n3cnnn3)CCOCC2)CCCOC1 ZINC000851604908 661296942 /nfs/dbraw/zinc/29/69/42/661296942.db2.gz FUKNUNQSTBRFDY-CQSZACIVSA-N -1 0 353.379 -0.291 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CC2(CCC2)[C@@](F)(C(=O)[O-])C1 ZINC000851612393 661297068 /nfs/dbraw/zinc/29/70/68/661297068.db2.gz AIVQTKQHMKDUNV-AWEZNQCLSA-N -1 0 366.411 -0.252 20 0 FBADRM COCCCS(=O)(=O)NCC(=O)N1CC2(CCC2)[C@](F)(C(=O)[O-])C1 ZINC000851612394 661297112 /nfs/dbraw/zinc/29/71/12/661297112.db2.gz AIVQTKQHMKDUNV-CQSZACIVSA-N -1 0 366.411 -0.252 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N1CC2(CCC2)[C@@](F)(C(=O)[O-])C1 ZINC000851612887 661297059 /nfs/dbraw/zinc/29/70/59/661297059.db2.gz XCWKJMQLZGIKKZ-INIZCTEOSA-N -1 0 357.382 -0.176 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N1CC2(CCC2)[C@](F)(C(=O)[O-])C1 ZINC000851612888 661296879 /nfs/dbraw/zinc/29/68/79/661296879.db2.gz XCWKJMQLZGIKKZ-MRXNPFEDSA-N -1 0 357.382 -0.176 20 0 FBADRM O=C([O-])[C@@]1(F)CN(C(=O)C2(n3cnnn3)CCOCC2)CC12CCC2 ZINC000851614861 661296993 /nfs/dbraw/zinc/29/69/93/661296993.db2.gz VQFOKJHYKAKHMT-HNNXBMFYSA-N -1 0 353.354 -0.016 20 0 FBADRM O=C([O-])[C@]1(F)CN(C(=O)C2(n3cnnn3)CCOCC2)CC12CCC2 ZINC000851614862 661296930 /nfs/dbraw/zinc/29/69/30/661296930.db2.gz VQFOKJHYKAKHMT-OAHLLOKOSA-N -1 0 353.354 -0.016 20 0 FBADRM CON(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])c1 ZINC000851615305 661296965 /nfs/dbraw/zinc/29/69/65/661296965.db2.gz AARKKUSKWLTNBF-NEPJUHHUSA-N -1 0 358.372 -0.160 20 0 FBADRM CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCO[C@@H]3C(=O)[O-])cc2S1(=O)=O ZINC000851615342 661297029 /nfs/dbraw/zinc/29/70/29/661297029.db2.gz BRQRHYRIOKIEMM-PWSUYJOCSA-N -1 0 368.367 -0.177 20 0 FBADRM CN(CC(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-])C1=NS(=O)(=O)c2ccccc21 ZINC000851616957 661296882 /nfs/dbraw/zinc/29/68/82/661296882.db2.gz YRWUKRWDXQESDL-MFKMUULPSA-N -1 0 367.383 -0.574 20 0 FBADRM CON(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])cc1 ZINC000851616964 661297047 /nfs/dbraw/zinc/29/70/47/661297047.db2.gz YXVDMZWVAXGFPF-NEPJUHHUSA-N -1 0 358.372 -0.160 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC000851618881 661297009 /nfs/dbraw/zinc/29/70/09/661297009.db2.gz OVAAASSYXCZBEK-GQCTYLIASA-N -1 0 357.388 -0.058 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC000851618883 661296989 /nfs/dbraw/zinc/29/69/89/661296989.db2.gz OVAAASSYXCZBEK-XQRVVYSFSA-N -1 0 357.388 -0.058 20 0 FBADRM CO[C@@H]1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)[C@H](C(=O)[O-])C1 ZINC000851622096 661297025 /nfs/dbraw/zinc/29/70/25/661297025.db2.gz HVADCJQIFXWEOA-NEPJUHHUSA-N -1 0 369.399 -0.425 20 0 FBADRM CO[C@H]1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)[C@@H](C(=O)[O-])C1 ZINC000851622097 661296887 /nfs/dbraw/zinc/29/68/87/661296887.db2.gz HVADCJQIFXWEOA-NWDGAFQWSA-N -1 0 369.399 -0.425 20 0 FBADRM CO[C@H]1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)[C@H](C(=O)[O-])C1 ZINC000851622098 661297078 /nfs/dbraw/zinc/29/70/78/661297078.db2.gz HVADCJQIFXWEOA-RYUDHWBXSA-N -1 0 369.399 -0.425 20 0 FBADRM CO[C@@H]1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)[C@@H](C(=O)[O-])C1 ZINC000851622099 661296992 /nfs/dbraw/zinc/29/69/92/661296992.db2.gz HVADCJQIFXWEOA-VXGBXAGGSA-N -1 0 369.399 -0.425 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCn3ncc(Br)c3C2)nn1 ZINC000851623837 661297091 /nfs/dbraw/zinc/29/70/91/661297091.db2.gz IEHNGUFJYZXMFB-UHFFFAOYSA-N -1 0 355.152 -0.022 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NC[C@@H]1COC3(CCOCC3)O1)C2 ZINC000851650803 661297320 /nfs/dbraw/zinc/29/73/20/661297320.db2.gz LCFGDNITANWUOX-LALPHHSUSA-N -1 0 356.375 -0.349 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NC[C@H]1COC3(CCOCC3)O1)C2 ZINC000851650805 661297443 /nfs/dbraw/zinc/29/74/43/661297443.db2.gz LCFGDNITANWUOX-TYNCELHUSA-N -1 0 356.375 -0.349 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCCS(=O)(=O)CC(F)(F)F)C2 ZINC000851651859 661297447 /nfs/dbraw/zinc/29/74/47/661297447.db2.gz PJXKMIGVIXWQIF-LDYMZIIASA-N -1 0 374.337 -0.294 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NC[C@@H]1CSCCS1)C2 ZINC000851679252 661297679 /nfs/dbraw/zinc/29/76/79/661297679.db2.gz AQSPZAAVUHOPCF-GPCCPHFNSA-N -1 0 360.457 -0.489 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NC[C@H]1CSCCS1)C2 ZINC000851679254 661297795 /nfs/dbraw/zinc/29/77/95/661297795.db2.gz AQSPZAAVUHOPCF-ISTVAULSSA-N -1 0 360.457 -0.489 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCc1nc(C3CC3)no1)C2 ZINC000851679382 661297738 /nfs/dbraw/zinc/29/77/38/661297738.db2.gz AZQUDFXYYYDSMQ-RFAUZJTJSA-N -1 0 350.331 -0.877 20 0 FBADRM O=C([O-])CCC1CCN(C(=O)C(=O)NCCS(=O)(=O)C2CC2)CC1 ZINC000851679884 661297669 /nfs/dbraw/zinc/29/76/69/661297669.db2.gz DCQHJNJYBZYODS-UHFFFAOYSA-N -1 0 360.432 -0.217 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000851679968 661297829 /nfs/dbraw/zinc/29/78/29/661297829.db2.gz DRQKOLIZUHAPME-UHFFFAOYSA-N -1 0 363.436 -0.855 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCc1ccc(Cl)nc1)C2 ZINC000851680290 661298034 /nfs/dbraw/zinc/29/80/34/661298034.db2.gz FVXYMFVEEMPYAW-BDJLRTHQSA-N -1 0 367.789 -0.047 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCCCC(=O)[O-])C[C@@H]1NC(=O)C(F)(F)F ZINC000851680360 661298013 /nfs/dbraw/zinc/29/80/13/661298013.db2.gz HEVPYMWCYIDETI-BDAKNGLRSA-N -1 0 367.324 -0.117 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N1CCn2ncc(Br)c2C1 ZINC000851680705 661298059 /nfs/dbraw/zinc/29/80/59/661298059.db2.gz IZHHEPKMGCAEBP-UHFFFAOYSA-N -1 0 359.180 -0.031 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCc1ccc(Cl)nc1)C2 ZINC000851680955 661297967 /nfs/dbraw/zinc/29/79/67/661297967.db2.gz LFPRECJRLLATIO-MEBBXXQBSA-N -1 0 353.762 -0.089 20 0 FBADRM CC(C)(C)[S@](=O)CCNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000851681309 661297983 /nfs/dbraw/zinc/29/79/83/661297983.db2.gz MVOWQVCLWSJDNC-GRIIDISTSA-N -1 0 360.432 -0.791 20 0 FBADRM CC(C)(C)[S@@](=O)CCNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000851681329 661298090 /nfs/dbraw/zinc/29/80/90/661298090.db2.gz MVOWQVCLWSJDNC-RATXJEPWSA-N -1 0 360.432 -0.791 20 0 FBADRM Cc1ncc(CCNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)s1 ZINC000851681796 661298052 /nfs/dbraw/zinc/29/80/52/661298052.db2.gz OKQSFTRGJPKYFE-MEBBXXQBSA-N -1 0 353.400 -0.330 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)CCC1 ZINC000851682334 661298129 /nfs/dbraw/zinc/29/81/29/661298129.db2.gz UTQNBRIFDWQCQF-LLVKDONJSA-N -1 0 356.375 -0.604 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)CCC1 ZINC000851682336 661297976 /nfs/dbraw/zinc/29/79/76/661297976.db2.gz UTQNBRIFDWQCQF-NSHDSACASA-N -1 0 356.375 -0.604 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCSC(F)(F)F)C2 ZINC000851682878 661298076 /nfs/dbraw/zinc/29/80/76/661298076.db2.gz ZWGLOQZTTOMRQQ-RDDDGLTNSA-N -1 0 356.322 -0.085 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC(N2CCOC2=O)CC1)C(=O)[O-] ZINC000851683262 661298095 /nfs/dbraw/zinc/29/80/95/661298095.db2.gz AJMXMGFNVJFLRC-GFCCVEGCSA-N -1 0 355.391 -0.097 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC(N2CCOC2=O)CC1)C(=O)[O-] ZINC000851683263 661298055 /nfs/dbraw/zinc/29/80/55/661298055.db2.gz AJMXMGFNVJFLRC-LBPRGKRZSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)c1nc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])ccc1Cl ZINC000851683279 661298002 /nfs/dbraw/zinc/29/80/02/661298002.db2.gz AYJBXMODLZIRNS-SSDOTTSWSA-N -1 0 357.750 -0.025 20 0 FBADRM COC(=O)c1nc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])ccc1Cl ZINC000851683280 661298037 /nfs/dbraw/zinc/29/80/37/661298037.db2.gz AYJBXMODLZIRNS-ZETCQYMHSA-N -1 0 357.750 -0.025 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCS(=O)(=O)CC(F)(F)F)CCC1 ZINC000851683285 661298066 /nfs/dbraw/zinc/29/80/66/661298066.db2.gz BFHUGBLVKNZANB-UHFFFAOYSA-N -1 0 374.337 -0.549 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCCS(=O)(=O)CC(F)(F)F)C1 ZINC000851683312 661298092 /nfs/dbraw/zinc/29/80/92/661298092.db2.gz BWKBODLWPWXUFG-SFYZADRCSA-N -1 0 374.337 -0.551 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)NCCS(=O)(=O)CC(F)(F)F)C(=O)[O-] ZINC000851683446 661298069 /nfs/dbraw/zinc/29/80/69/661298069.db2.gz GIJYMDATKHGMIS-SSDOTTSWSA-N -1 0 362.326 -0.741 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)NCCS(=O)(=O)CC(F)(F)F)C(=O)[O-] ZINC000851683447 661297997 /nfs/dbraw/zinc/29/79/97/661297997.db2.gz GIJYMDATKHGMIS-ZETCQYMHSA-N -1 0 362.326 -0.741 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)CC(F)(F)F)C1 ZINC000851683459 661297961 /nfs/dbraw/zinc/29/79/61/661297961.db2.gz GRYHGMJPSSLXLV-SSDOTTSWSA-N -1 0 360.310 -0.987 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)CC(F)(F)F)C1 ZINC000851683460 661298085 /nfs/dbraw/zinc/29/80/85/661298085.db2.gz GRYHGMJPSSLXLV-ZETCQYMHSA-N -1 0 360.310 -0.987 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC(N3CCOC3=O)CC2)C1 ZINC000851683465 661298064 /nfs/dbraw/zinc/29/80/64/661298064.db2.gz GWCYOUVWMJNGON-MNOVXSKESA-N -1 0 353.375 -0.201 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCn2ncc(Br)c2C1)C(=O)[O-] ZINC000851683566 661297949 /nfs/dbraw/zinc/29/79/49/661297949.db2.gz JKUSGMRZOLJMSD-SSDOTTSWSA-N -1 0 359.180 -0.175 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCn2ncc(Br)c2C1)C(=O)[O-] ZINC000851683567 661298088 /nfs/dbraw/zinc/29/80/88/661298088.db2.gz JKUSGMRZOLJMSD-ZETCQYMHSA-N -1 0 359.180 -0.175 20 0 FBADRM O=C([O-])CCCCNC(=O)C(=O)NCCN1C[C@H]2CCCCN2C1=O ZINC000851683797 661298113 /nfs/dbraw/zinc/29/81/13/661298113.db2.gz PCNGSTJJQGFHIN-GFCCVEGCSA-N -1 0 354.407 -0.236 20 0 FBADRM O=C([O-])CCCCNC(=O)C(=O)NCCN1C[C@@H]2CCCCN2C1=O ZINC000851683798 661298023 /nfs/dbraw/zinc/29/80/23/661298023.db2.gz PCNGSTJJQGFHIN-LBPRGKRZSA-N -1 0 354.407 -0.236 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCS(=O)(=O)CC(F)(F)F)C1 ZINC000851683987 661298042 /nfs/dbraw/zinc/29/80/42/661298042.db2.gz TZWSHRPFYSAXNC-LLVKDONJSA-N -1 0 374.337 -0.597 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCS(=O)(=O)CC(F)(F)F)C1 ZINC000851683988 661298073 /nfs/dbraw/zinc/29/80/73/661298073.db2.gz TZWSHRPFYSAXNC-NSHDSACASA-N -1 0 374.337 -0.597 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCCC(=O)[O-])C[C@@H]1NC(=O)C(F)(F)F ZINC000851684063 661298045 /nfs/dbraw/zinc/29/80/45/661298045.db2.gz VZSCXQDWPBYSQR-SFYZADRCSA-N -1 0 353.297 -0.507 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1)C(=O)[O-] ZINC000851684185 661298221 /nfs/dbraw/zinc/29/82/21/661298221.db2.gz YLLCMLNURCPUTB-HLTSFMKQSA-N -1 0 367.324 -0.261 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1)C(=O)[O-] ZINC000851684186 661298268 /nfs/dbraw/zinc/29/82/68/661298268.db2.gz YLLCMLNURCPUTB-VGMNWLOBSA-N -1 0 367.324 -0.261 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCCC1SCCS1)C2 ZINC000851686897 661298562 /nfs/dbraw/zinc/29/85/62/661298562.db2.gz JIPHHCXOOKDCCD-YMTOWFKASA-N -1 0 360.457 -0.142 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N(C)CCS(C)(=O)=O)CC(=O)[O-] ZINC000851687650 661298570 /nfs/dbraw/zinc/29/85/70/661298570.db2.gz WXPKKNWCXGCQDV-NSHDSACASA-N -1 0 350.437 -0.257 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCC(N3CCOC3=O)CC2)CCC1 ZINC000851687815 661298685 /nfs/dbraw/zinc/29/86/85/661298685.db2.gz ZZIREZKZFUMFOG-UHFFFAOYSA-N -1 0 353.375 -0.199 20 0 FBADRM O=C([O-])COc1ccc(C(=O)NCCS(=O)(=O)N2CCOCC2)cc1 ZINC000851692935 661298840 /nfs/dbraw/zinc/29/88/40/661298840.db2.gz WZVGDFCYKDKPCF-UHFFFAOYSA-N -1 0 372.399 -0.458 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C1=CN3CCS(=O)(=O)N=C3C=C1)C2 ZINC000851697371 661299055 /nfs/dbraw/zinc/29/90/55/661299055.db2.gz MFWZNTYFBIXLIO-IAQYHMDHSA-N -1 0 367.383 -0.956 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C1=CC=CN3CCS(=O)(=O)N=C13)C2 ZINC000851697973 661298760 /nfs/dbraw/zinc/29/87/60/661298760.db2.gz YFZMVSSQBQJIPD-MEBBXXQBSA-N -1 0 367.383 -0.956 20 0 FBADRM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CN1CCCC1=O ZINC000851699693 661299407 /nfs/dbraw/zinc/29/94/07/661299407.db2.gz GLVBCVQPVPDWRN-GZMMTYOYSA-N -1 0 365.308 -0.269 20 0 FBADRM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)CN1CCCC1=O ZINC000851699696 661299328 /nfs/dbraw/zinc/29/93/28/661299328.db2.gz GLVBCVQPVPDWRN-KCJUWKMLSA-N -1 0 365.308 -0.269 20 0 FBADRM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CN1CCCC1=O ZINC000851699698 661299196 /nfs/dbraw/zinc/29/91/96/661299196.db2.gz GLVBCVQPVPDWRN-KWQFWETISA-N -1 0 365.308 -0.269 20 0 FBADRM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)CN1CCCC1=O ZINC000851699700 661299361 /nfs/dbraw/zinc/29/93/61/661299361.db2.gz GLVBCVQPVPDWRN-LDYMZIIASA-N -1 0 365.308 -0.269 20 0 FBADRM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC000851702501 661300081 /nfs/dbraw/zinc/30/00/81/661300081.db2.gz LYTOZKSPPXGLNW-KHQFGBGNSA-N -1 0 365.308 -0.365 20 0 FBADRM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC000851702503 661300125 /nfs/dbraw/zinc/30/01/25/661300125.db2.gz LYTOZKSPPXGLNW-MRTMQBJTSA-N -1 0 365.308 -0.365 20 0 FBADRM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC000851702505 661300043 /nfs/dbraw/zinc/30/00/43/661300043.db2.gz LYTOZKSPPXGLNW-NQMVMOMDSA-N -1 0 365.308 -0.365 20 0 FBADRM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC000851702507 661300230 /nfs/dbraw/zinc/30/02/30/661300230.db2.gz LYTOZKSPPXGLNW-WEDXCCLWSA-N -1 0 365.308 -0.365 20 0 FBADRM COC(=O)N(C)CC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851702513 661300207 /nfs/dbraw/zinc/30/02/07/661300207.db2.gz MAGANFXSDMUMOO-APPZFPTMSA-N -1 0 369.296 -0.193 20 0 FBADRM COC(=O)N(C)CC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851702515 661300060 /nfs/dbraw/zinc/30/00/60/661300060.db2.gz MAGANFXSDMUMOO-CBAPKCEASA-N -1 0 369.296 -0.193 20 0 FBADRM COC(=O)N(C)CC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851702516 661300037 /nfs/dbraw/zinc/30/00/37/661300037.db2.gz MAGANFXSDMUMOO-IONNQARKSA-N -1 0 369.296 -0.193 20 0 FBADRM COC(=O)N(C)CC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851702518 661300092 /nfs/dbraw/zinc/30/00/92/661300092.db2.gz MAGANFXSDMUMOO-VXNVDRBHSA-N -1 0 369.296 -0.193 20 0 FBADRM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)CNC(=O)C1CC1 ZINC000851703418 661300066 /nfs/dbraw/zinc/30/00/66/661300066.db2.gz OZZAAJBOMWNCKU-PSASIEDQSA-N -1 0 365.308 -0.365 20 0 FBADRM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)CNC(=O)C1CC1 ZINC000851703420 661300077 /nfs/dbraw/zinc/30/00/77/661300077.db2.gz OZZAAJBOMWNCKU-SCZZXKLOSA-N -1 0 365.308 -0.365 20 0 FBADRM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CNC(=O)C1CC1 ZINC000851703422 661300172 /nfs/dbraw/zinc/30/01/72/661300172.db2.gz OZZAAJBOMWNCKU-WCBMZHEXSA-N -1 0 365.308 -0.365 20 0 FBADRM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CNC(=O)C1CC1 ZINC000851703424 661300047 /nfs/dbraw/zinc/30/00/47/661300047.db2.gz OZZAAJBOMWNCKU-WPRPVWTQSA-N -1 0 365.308 -0.365 20 0 FBADRM COC[C@H](OC)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851703804 661300434 /nfs/dbraw/zinc/30/04/34/661300434.db2.gz YZLILOJAOOUCLB-CIUDSAMLSA-N -1 0 356.297 -0.230 20 0 FBADRM COC[C@H](OC)C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851703806 661300537 /nfs/dbraw/zinc/30/05/37/661300537.db2.gz YZLILOJAOOUCLB-HRDYMLBCSA-N -1 0 356.297 -0.230 20 0 FBADRM COC[C@H](OC)C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851703808 661300564 /nfs/dbraw/zinc/30/05/64/661300564.db2.gz YZLILOJAOOUCLB-VGMNWLOBSA-N -1 0 356.297 -0.230 20 0 FBADRM COC[C@H](OC)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851703809 661300475 /nfs/dbraw/zinc/30/04/75/661300475.db2.gz YZLILOJAOOUCLB-XHNCKOQMSA-N -1 0 356.297 -0.230 20 0 FBADRM NC(=O)CSCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851704172 661300652 /nfs/dbraw/zinc/30/06/52/661300652.db2.gz TUQOEXSSVDHORP-HZGVNTEJSA-N -1 0 371.337 -0.672 20 0 FBADRM NC(=O)CSCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851704173 661300444 /nfs/dbraw/zinc/30/04/44/661300444.db2.gz TUQOEXSSVDHORP-IMTBSYHQSA-N -1 0 371.337 -0.672 20 0 FBADRM NC(=O)CSCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704174 661300470 /nfs/dbraw/zinc/30/04/70/661300470.db2.gz TUQOEXSSVDHORP-MUWHJKNJSA-N -1 0 371.337 -0.672 20 0 FBADRM NC(=O)CSCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704175 661300546 /nfs/dbraw/zinc/30/05/46/661300546.db2.gz TUQOEXSSVDHORP-RCOVLWMOSA-N -1 0 371.337 -0.672 20 0 FBADRM COC(=O)NCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851704348 661300494 /nfs/dbraw/zinc/30/04/94/661300494.db2.gz VNPYUBKBVBYCHM-HTRCEHHLSA-N -1 0 355.269 -0.535 20 0 FBADRM COC(=O)NCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851704349 661300746 /nfs/dbraw/zinc/30/07/46/661300746.db2.gz VNPYUBKBVBYCHM-POYBYMJQSA-N -1 0 355.269 -0.535 20 0 FBADRM COC(=O)NCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704350 661300770 /nfs/dbraw/zinc/30/07/70/661300770.db2.gz VNPYUBKBVBYCHM-SVRRBLITSA-N -1 0 355.269 -0.535 20 0 FBADRM COC(=O)NCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704351 661300849 /nfs/dbraw/zinc/30/08/49/661300849.db2.gz VNPYUBKBVBYCHM-XPUUQOCRSA-N -1 0 355.269 -0.535 20 0 FBADRM CN1C(=O)CC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704544 661300886 /nfs/dbraw/zinc/30/08/86/661300886.db2.gz XWGZMTAKOVDFAU-MRTMQBJTSA-N -1 0 365.308 -0.270 20 0 FBADRM CN1C(=O)CC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851704545 661300762 /nfs/dbraw/zinc/30/07/62/661300762.db2.gz XWGZMTAKOVDFAU-NQMVMOMDSA-N -1 0 365.308 -0.270 20 0 FBADRM CN1C(=O)CC[C@@H]1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851704546 661300838 /nfs/dbraw/zinc/30/08/38/661300838.db2.gz XWGZMTAKOVDFAU-QXFUBDJGSA-N -1 0 365.308 -0.270 20 0 FBADRM CN1C(=O)CC[C@@H]1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704547 661300940 /nfs/dbraw/zinc/30/09/40/661300940.db2.gz XWGZMTAKOVDFAU-XKSSXDPKSA-N -1 0 365.308 -0.270 20 0 FBADRM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1COCCO1 ZINC000851704620 661300934 /nfs/dbraw/zinc/30/09/34/661300934.db2.gz YUKPWMLVGNAZDB-CIUDSAMLSA-N -1 0 354.281 -0.476 20 0 FBADRM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@H]1COCCO1 ZINC000851704621 661300844 /nfs/dbraw/zinc/30/08/44/661300844.db2.gz YUKPWMLVGNAZDB-HLTSFMKQSA-N -1 0 354.281 -0.476 20 0 FBADRM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1COCCO1 ZINC000851704622 661300785 /nfs/dbraw/zinc/30/07/85/661300785.db2.gz YUKPWMLVGNAZDB-VGMNWLOBSA-N -1 0 354.281 -0.476 20 0 FBADRM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@H]1COCCO1 ZINC000851704623 661300854 /nfs/dbraw/zinc/30/08/54/661300854.db2.gz YUKPWMLVGNAZDB-YIZRAAEISA-N -1 0 354.281 -0.476 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H](CC(=O)[O-])C2CC2)cn1C ZINC000851705833 661300760 /nfs/dbraw/zinc/30/07/60/661300760.db2.gz SZTPMJGABDAWSO-LLVKDONJSA-N -1 0 358.420 -0.376 20 0 FBADRM Cc1nc(S(=O)(=O)NCC(=O)NC[C@H](CC(=O)[O-])C2CC2)cn1C ZINC000851705834 661300732 /nfs/dbraw/zinc/30/07/32/661300732.db2.gz SZTPMJGABDAWSO-NSHDSACASA-N -1 0 358.420 -0.376 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)c2cnnn2C)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000851883632 661302482 /nfs/dbraw/zinc/30/24/82/661302482.db2.gz WURAFVOITFAFQU-SFYZADRCSA-N -1 0 355.342 -0.107 20 0 FBADRM C[C@@H]1CCN(C(=O)NCCNS(C)(=O)=O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000851944050 661302657 /nfs/dbraw/zinc/30/26/57/661302657.db2.gz JEDTWLNWVLTABT-BDAKNGLRSA-N -1 0 374.385 -0.366 20 0 FBADRM C[C@@H]1CCN(C(=O)NCCc2nnnn2C)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852236902 661305787 /nfs/dbraw/zinc/30/57/87/661305787.db2.gz QRJLEAPKJAWBER-BDAKNGLRSA-N -1 0 363.344 -0.149 20 0 FBADRM CNS(=O)(=O)CCNC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852269844 661305832 /nfs/dbraw/zinc/30/58/32/661305832.db2.gz AWUHQMVXHSPBPM-BDAKNGLRSA-N -1 0 374.385 -0.366 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCN(c2ccc(OCC)nn2)CC1 ZINC000852399857 661306440 /nfs/dbraw/zinc/30/64/40/661306440.db2.gz VETQRCVHLXZPSH-UHFFFAOYSA-N -1 0 352.395 -0.225 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000852399976 661306428 /nfs/dbraw/zinc/30/64/28/661306428.db2.gz WRYQQORTOAACLQ-YUMQZZPRSA-N -1 0 361.342 -0.329 20 0 FBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(CC(=O)[N-]OCc3ccccc3)C[C@H]21 ZINC000852593167 661307228 /nfs/dbraw/zinc/30/72/28/661307228.db2.gz GGJMALNWRPJODE-ZNMIVQPWSA-N -1 0 354.428 -0.022 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CC1=NS(=O)(=O)c2ccccc21 ZINC000852733331 661307702 /nfs/dbraw/zinc/30/77/02/661307702.db2.gz YOCLEBRSJSEAOY-LLVKDONJSA-N -1 0 358.397 -0.638 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CC1=NS(=O)(=O)c2ccccc21 ZINC000852733333 661307948 /nfs/dbraw/zinc/30/79/48/661307948.db2.gz YOCLEBRSJSEAOY-NSHDSACASA-N -1 0 358.397 -0.638 20 0 FBADRM NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852735073 661307728 /nfs/dbraw/zinc/30/77/28/661307728.db2.gz FNPTYNBGFNQASZ-HTRCEHHLSA-N -1 0 354.285 -0.833 20 0 FBADRM NC(=O)NC(=O)CC[N@@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852735074 661307683 /nfs/dbraw/zinc/30/76/83/661307683.db2.gz FNPTYNBGFNQASZ-POYBYMJQSA-N -1 0 354.285 -0.833 20 0 FBADRM NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852735075 661307878 /nfs/dbraw/zinc/30/78/78/661307878.db2.gz FNPTYNBGFNQASZ-SVRRBLITSA-N -1 0 354.285 -0.833 20 0 FBADRM NC(=O)NC(=O)CC[N@@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852735076 661307952 /nfs/dbraw/zinc/30/79/52/661307952.db2.gz FNPTYNBGFNQASZ-XPUUQOCRSA-N -1 0 354.285 -0.833 20 0 FBADRM COCCCNC(=O)CN1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852735741 661307849 /nfs/dbraw/zinc/30/78/49/661307849.db2.gz JJOXGVBPXKHJEQ-GXSJLCMTSA-N -1 0 369.340 -0.265 20 0 FBADRM COCCCNC(=O)CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852735749 661307806 /nfs/dbraw/zinc/30/78/06/661307806.db2.gz JJOXGVBPXKHJEQ-KOLCDFICSA-N -1 0 369.340 -0.265 20 0 FBADRM COCCCNC(=O)CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852735751 661307918 /nfs/dbraw/zinc/30/79/18/661307918.db2.gz JJOXGVBPXKHJEQ-MWLCHTKSSA-N -1 0 369.340 -0.265 20 0 FBADRM COCCCNC(=O)CN1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852735753 661307747 /nfs/dbraw/zinc/30/77/47/661307747.db2.gz JJOXGVBPXKHJEQ-ONGXEEELSA-N -1 0 369.340 -0.265 20 0 FBADRM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1CC(=O)N1CCOCC1 ZINC000852736665 661307793 /nfs/dbraw/zinc/30/77/93/661307793.db2.gz NIJDPCOIEAKEGS-GXSJLCMTSA-N -1 0 367.324 -0.559 20 0 FBADRM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1CC(=O)N1CCOCC1 ZINC000852736666 661307694 /nfs/dbraw/zinc/30/76/94/661307694.db2.gz NIJDPCOIEAKEGS-KOLCDFICSA-N -1 0 367.324 -0.559 20 0 FBADRM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1CC(=O)N1CCOCC1 ZINC000852736667 661307897 /nfs/dbraw/zinc/30/78/97/661307897.db2.gz NIJDPCOIEAKEGS-MWLCHTKSSA-N -1 0 367.324 -0.559 20 0 FBADRM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1CC(=O)N1CCOCC1 ZINC000852736668 661307814 /nfs/dbraw/zinc/30/78/14/661307814.db2.gz NIJDPCOIEAKEGS-ONGXEEELSA-N -1 0 367.324 -0.559 20 0 FBADRM CCOCCNC(=O)CN1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852736681 661308418 /nfs/dbraw/zinc/30/84/18/661308418.db2.gz NJNIHUVUJPUXJS-GXSJLCMTSA-N -1 0 369.340 -0.265 20 0 FBADRM CCOCCNC(=O)CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852736682 661308284 /nfs/dbraw/zinc/30/82/84/661308284.db2.gz NJNIHUVUJPUXJS-KOLCDFICSA-N -1 0 369.340 -0.265 20 0 FBADRM CCOCCNC(=O)CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852736683 661308191 /nfs/dbraw/zinc/30/81/91/661308191.db2.gz NJNIHUVUJPUXJS-MWLCHTKSSA-N -1 0 369.340 -0.265 20 0 FBADRM CCOCCNC(=O)CN1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852736684 661308041 /nfs/dbraw/zinc/30/80/41/661308041.db2.gz NJNIHUVUJPUXJS-ONGXEEELSA-N -1 0 369.340 -0.265 20 0 FBADRM O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1CCN1CCOCC1 ZINC000852736736 661308151 /nfs/dbraw/zinc/30/81/51/661308151.db2.gz OHZTXQKKXGZLPO-GHMZBOCLSA-N -1 0 353.341 -0.085 20 0 FBADRM O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1CCN1CCOCC1 ZINC000852736737 661308328 /nfs/dbraw/zinc/30/83/28/661308328.db2.gz OHZTXQKKXGZLPO-MNOVXSKESA-N -1 0 353.341 -0.085 20 0 FBADRM O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1CCN1CCOCC1 ZINC000852736738 661308233 /nfs/dbraw/zinc/30/82/33/661308233.db2.gz OHZTXQKKXGZLPO-QWRGUYRKSA-N -1 0 353.341 -0.085 20 0 FBADRM O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1CCN1CCOCC1 ZINC000852736739 661308440 /nfs/dbraw/zinc/30/84/40/661308440.db2.gz OHZTXQKKXGZLPO-WDEREUQCSA-N -1 0 353.341 -0.085 20 0 FBADRM CNC(=O)NC(=O)CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852736744 661308447 /nfs/dbraw/zinc/30/84/47/661308447.db2.gz OIVXUBXRCRKALG-HTRCEHHLSA-N -1 0 354.285 -0.962 20 0 FBADRM CNC(=O)NC(=O)CN1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852736745 661308227 /nfs/dbraw/zinc/30/82/27/661308227.db2.gz OIVXUBXRCRKALG-POYBYMJQSA-N -1 0 354.285 -0.962 20 0 FBADRM CNC(=O)NC(=O)CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852736746 661308093 /nfs/dbraw/zinc/30/80/93/661308093.db2.gz OIVXUBXRCRKALG-SVRRBLITSA-N -1 0 354.285 -0.962 20 0 FBADRM CNC(=O)NC(=O)CN1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852736747 661308347 /nfs/dbraw/zinc/30/83/47/661308347.db2.gz OIVXUBXRCRKALG-XPUUQOCRSA-N -1 0 354.285 -0.962 20 0 FBADRM CCNC(=O)NC(=O)CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852736816 661308221 /nfs/dbraw/zinc/30/82/21/661308221.db2.gz ONIZIRIAFAXEQT-APPZFPTMSA-N -1 0 368.312 -0.572 20 0 FBADRM CCNC(=O)NC(=O)CN1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852736818 661308144 /nfs/dbraw/zinc/30/81/44/661308144.db2.gz ONIZIRIAFAXEQT-CBAPKCEASA-N -1 0 368.312 -0.572 20 0 FBADRM CCNC(=O)NC(=O)CN1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852736819 661308320 /nfs/dbraw/zinc/30/83/20/661308320.db2.gz ONIZIRIAFAXEQT-IONNQARKSA-N -1 0 368.312 -0.572 20 0 FBADRM CCNC(=O)NC(=O)CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852736820 661308137 /nfs/dbraw/zinc/30/81/37/661308137.db2.gz ONIZIRIAFAXEQT-VXNVDRBHSA-N -1 0 368.312 -0.572 20 0 FBADRM O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000852736995 661308200 /nfs/dbraw/zinc/30/82/00/661308200.db2.gz PWAVDKSLRTXRNW-APPZFPTMSA-N -1 0 366.296 -0.866 20 0 FBADRM O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000852737000 661308465 /nfs/dbraw/zinc/30/84/65/661308465.db2.gz PWAVDKSLRTXRNW-CBAPKCEASA-N -1 0 366.296 -0.866 20 0 FBADRM O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000852737002 661308050 /nfs/dbraw/zinc/30/80/50/661308050.db2.gz PWAVDKSLRTXRNW-IONNQARKSA-N -1 0 366.296 -0.866 20 0 FBADRM O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000852737004 661308294 /nfs/dbraw/zinc/30/82/94/661308294.db2.gz PWAVDKSLRTXRNW-VXNVDRBHSA-N -1 0 366.296 -0.866 20 0 FBADRM CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852737270 661308386 /nfs/dbraw/zinc/30/83/86/661308386.db2.gz SASCYSLCOODLAI-APPZFPTMSA-N -1 0 368.312 -0.572 20 0 FBADRM CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852737271 661308074 /nfs/dbraw/zinc/30/80/74/661308074.db2.gz SASCYSLCOODLAI-CBAPKCEASA-N -1 0 368.312 -0.572 20 0 FBADRM CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852737379 661308423 /nfs/dbraw/zinc/30/84/23/661308423.db2.gz SASCYSLCOODLAI-IONNQARKSA-N -1 0 368.312 -0.572 20 0 FBADRM CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852737381 661308123 /nfs/dbraw/zinc/30/81/23/661308123.db2.gz SASCYSLCOODLAI-VXNVDRBHSA-N -1 0 368.312 -0.572 20 0 FBADRM O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000852737455 661308249 /nfs/dbraw/zinc/30/82/49/661308249.db2.gz STHDGEVNIQXSLG-GZMMTYOYSA-N -1 0 365.308 -0.269 20 0 FBADRM O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000852737456 661308101 /nfs/dbraw/zinc/30/81/01/661308101.db2.gz STHDGEVNIQXSLG-KCJUWKMLSA-N -1 0 365.308 -0.269 20 0 FBADRM O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000852737457 661308355 /nfs/dbraw/zinc/30/83/55/661308355.db2.gz STHDGEVNIQXSLG-KWQFWETISA-N -1 0 365.308 -0.269 20 0 FBADRM O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000852737459 661308431 /nfs/dbraw/zinc/30/84/31/661308431.db2.gz STHDGEVNIQXSLG-LDYMZIIASA-N -1 0 365.308 -0.269 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C=CCC2)nn1C ZINC000852903780 661309861 /nfs/dbraw/zinc/30/98/61/661309861.db2.gz BGQAALXTKLNODW-LLVKDONJSA-N -1 0 363.465 -0.107 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2C=CCC2)nn1C ZINC000852903781 661309948 /nfs/dbraw/zinc/30/99/48/661309948.db2.gz BGQAALXTKLNODW-NSHDSACASA-N -1 0 363.465 -0.107 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C=CCC2)nnn1C ZINC000852904945 661309927 /nfs/dbraw/zinc/30/99/27/661309927.db2.gz QCGNJEDRBCDVPO-LLVKDONJSA-N -1 0 363.465 -0.107 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2C=CCC2)nnn1C ZINC000852904947 661309906 /nfs/dbraw/zinc/30/99/06/661309906.db2.gz QCGNJEDRBCDVPO-NSHDSACASA-N -1 0 363.465 -0.107 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]2C=CCC2)n1 ZINC000852905800 661309972 /nfs/dbraw/zinc/30/99/72/661309972.db2.gz CTXHZOBNJNUIBE-LLVKDONJSA-N -1 0 363.465 -0.025 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@H]2C=CCC2)n1 ZINC000852905801 661309858 /nfs/dbraw/zinc/30/98/58/661309858.db2.gz CTXHZOBNJNUIBE-NSHDSACASA-N -1 0 363.465 -0.025 20 0 FBADRM Cc1noc(C)c1CN(C)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000852912973 661310296 /nfs/dbraw/zinc/31/02/96/661310296.db2.gz IQBLOQGRKDEMRN-BDJLRTHQSA-N -1 0 351.359 -0.191 20 0 FBADRM CC(=O)OC1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC000852913691 661310439 /nfs/dbraw/zinc/31/04/39/661310439.db2.gz CUMGDXVBRVFZNM-BDJLRTHQSA-N -1 0 354.359 -0.900 20 0 FBADRM CCS(=O)(=O)CCN(C)C(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000852913813 661310437 /nfs/dbraw/zinc/31/04/37/661310437.db2.gz GRUSFBLKJLSMDQ-UHFFFAOYSA-N -1 0 362.448 -0.017 20 0 FBADRM CN(Cc1ncc(Cl)n1C)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000852914099 661310428 /nfs/dbraw/zinc/31/04/28/661310428.db2.gz NBBXYVSYEASYHV-RFAUZJTJSA-N -1 0 370.793 -0.409 20 0 FBADRM CON(CC1CCOCC1)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000852914160 661310378 /nfs/dbraw/zinc/31/03/78/661310378.db2.gz OQOMZIICZHIKGR-MLGOLLRUSA-N -1 0 356.375 -0.637 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC(CCCO)CC1)C2 ZINC000852914285 661310533 /nfs/dbraw/zinc/31/05/33/661310533.db2.gz RRUVZELOGHPXIK-CXAGYDPISA-N -1 0 354.403 -0.443 20 0 FBADRM CCN(CCS(C)(=O)=O)C(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000852914588 661310441 /nfs/dbraw/zinc/31/04/41/661310441.db2.gz YYQDQJOEBNDAJI-UHFFFAOYSA-N -1 0 362.448 -0.017 20 0 FBADRM COC(=O)NC1CCN(C(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)CC1 ZINC000852914787 661310527 /nfs/dbraw/zinc/31/05/27/661310527.db2.gz HJYUGVWPSJPQAC-GHMZBOCLSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)NC1CCN(C(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)CC1 ZINC000852914788 661310373 /nfs/dbraw/zinc/31/03/73/661310373.db2.gz HJYUGVWPSJPQAC-MNOVXSKESA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)NC1CCN(C(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)CC1 ZINC000852914789 661310494 /nfs/dbraw/zinc/31/04/94/661310494.db2.gz HJYUGVWPSJPQAC-QWRGUYRKSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)NC1CCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)CC1 ZINC000852914790 661310498 /nfs/dbraw/zinc/31/04/98/661310498.db2.gz HJYUGVWPSJPQAC-WDEREUQCSA-N -1 0 355.391 -0.097 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC(N3CCOC3=O)CC2)C1 ZINC000852914831 661310446 /nfs/dbraw/zinc/31/04/46/661310446.db2.gz IWINGGXZLWFDMD-INIZCTEOSA-N -1 0 353.375 -0.247 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC(N3CCOC3=O)CC2)C1 ZINC000852914832 661310392 /nfs/dbraw/zinc/31/03/92/661310392.db2.gz IWINGGXZLWFDMD-MRXNPFEDSA-N -1 0 353.375 -0.247 20 0 FBADRM COC(=O)NC1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000852914844 661310485 /nfs/dbraw/zinc/31/04/85/661310485.db2.gz IYYZXIJTKXBDCW-CMPLNLGQSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)NC1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000852914845 661310395 /nfs/dbraw/zinc/31/03/95/661310395.db2.gz IYYZXIJTKXBDCW-JQWIXIFHSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)NC1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000852914846 661310444 /nfs/dbraw/zinc/31/04/44/661310444.db2.gz IYYZXIJTKXBDCW-PWSUYJOCSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)NC1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000852914847 661310524 /nfs/dbraw/zinc/31/05/24/661310524.db2.gz IYYZXIJTKXBDCW-ZYHUDNBSSA-N -1 0 355.391 -0.097 20 0 FBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000852914999 661310381 /nfs/dbraw/zinc/31/03/81/661310381.db2.gz MUENMIOHZJKICZ-BDJLRTHQSA-N -1 0 354.407 -0.476 20 0 FBADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000852915000 661310432 /nfs/dbraw/zinc/31/04/32/661310432.db2.gz MUENMIOHZJKICZ-BZNIZROVSA-N -1 0 354.407 -0.476 20 0 FBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000852915001 661310530 /nfs/dbraw/zinc/31/05/30/661310530.db2.gz MUENMIOHZJKICZ-MEDUHNTESA-N -1 0 354.407 -0.476 20 0 FBADRM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000852915002 661310490 /nfs/dbraw/zinc/31/04/90/661310490.db2.gz MUENMIOHZJKICZ-ZBEGNZNMSA-N -1 0 354.407 -0.476 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N(C)CCC(=O)[O-])C[C@@H]1NC(=O)C(F)(F)F ZINC000852915020 661310547 /nfs/dbraw/zinc/31/05/47/661310547.db2.gz NHXLOXLTWHHJFA-BDAKNGLRSA-N -1 0 367.324 -0.165 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](CN3CCCC3=O)C2)C1 ZINC000852915585 661310638 /nfs/dbraw/zinc/31/06/38/661310638.db2.gz XNCODPGJVSZATI-PXAZEXFGSA-N -1 0 351.403 -0.220 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC000852915588 661310687 /nfs/dbraw/zinc/31/06/87/661310687.db2.gz XNCODPGJVSZATI-SJCJKPOMSA-N -1 0 351.403 -0.220 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](CN3CCCC3=O)C2)C1 ZINC000852915589 661310738 /nfs/dbraw/zinc/31/07/38/661310738.db2.gz XNCODPGJVSZATI-SJKOYZFVSA-N -1 0 351.403 -0.220 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC000852915590 661310767 /nfs/dbraw/zinc/31/07/67/661310767.db2.gz XNCODPGJVSZATI-YVEFUNNKSA-N -1 0 351.403 -0.220 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCn2ncc(Br)c2C1 ZINC000852915842 661310591 /nfs/dbraw/zinc/31/05/91/661310591.db2.gz NWWQJOXFMLQYOD-UHFFFAOYSA-N -1 0 359.180 -0.079 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCn3ncc(Br)c3C2)C1 ZINC000852915853 661310774 /nfs/dbraw/zinc/31/07/74/661310774.db2.gz OOHVRPPUXFAZJX-MRVPVSSYSA-N -1 0 371.191 -0.079 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCn3ncc(Br)c3C2)C1 ZINC000852915854 661310764 /nfs/dbraw/zinc/31/07/64/661310764.db2.gz OOHVRPPUXFAZJX-QMMMGPOBSA-N -1 0 371.191 -0.079 20 0 FBADRM NS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000852941615 661311234 /nfs/dbraw/zinc/31/12/34/661311234.db2.gz RSAYUBHWYUQFMI-OLZOCXBDSA-N -1 0 355.416 -0.286 20 0 FBADRM NS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000852941616 661311468 /nfs/dbraw/zinc/31/14/68/661311468.db2.gz RSAYUBHWYUQFMI-STQMWFEESA-N -1 0 355.416 -0.286 20 0 FBADRM CO[C@@](C)(C(=O)[O-])C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000852943943 661311324 /nfs/dbraw/zinc/31/13/24/661311324.db2.gz DGFSMYLKGQXIEM-GFCCVEGCSA-N -1 0 358.363 -0.143 20 0 FBADRM CO[C@](C)(C(=O)[O-])C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000852943944 661311368 /nfs/dbraw/zinc/31/13/68/661311368.db2.gz DGFSMYLKGQXIEM-LBPRGKRZSA-N -1 0 358.363 -0.143 20 0 FBADRM CO[C@](C)(C(=O)[O-])C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000852943956 661311434 /nfs/dbraw/zinc/31/14/34/661311434.db2.gz DNTLLQHDCAKJOI-JTQLQIEISA-N -1 0 362.326 -0.094 20 0 FBADRM CO[C@@](C)(C(=O)[O-])C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000852943957 661311394 /nfs/dbraw/zinc/31/13/94/661311394.db2.gz DNTLLQHDCAKJOI-SNVBAGLBSA-N -1 0 362.326 -0.094 20 0 FBADRM Cn1ncc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1Br ZINC000852944693 661311332 /nfs/dbraw/zinc/31/13/32/661311332.db2.gz JIBURIRAMSHIBE-SSDOTTSWSA-N -1 0 366.193 -0.494 20 0 FBADRM Cn1ncc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1Br ZINC000852944694 661311371 /nfs/dbraw/zinc/31/13/71/661311371.db2.gz JIBURIRAMSHIBE-ZETCQYMHSA-N -1 0 366.193 -0.494 20 0 FBADRM COC(=O)/C=C\c1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])o1 ZINC000852945698 661311480 /nfs/dbraw/zinc/31/14/80/661311480.db2.gz UEHOKPTWWULCNI-ATPLWMGHSA-N -1 0 357.340 -0.210 20 0 FBADRM COC(=O)/C=C/c1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])o1 ZINC000852945700 661311402 /nfs/dbraw/zinc/31/14/02/661311402.db2.gz UEHOKPTWWULCNI-GFAPAMAISA-N -1 0 357.340 -0.210 20 0 FBADRM COC(=O)/C=C/c1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])o1 ZINC000852945701 661311437 /nfs/dbraw/zinc/31/14/37/661311437.db2.gz UEHOKPTWWULCNI-RXNUUUNCSA-N -1 0 357.340 -0.210 20 0 FBADRM COC(=O)/C=C\c1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])o1 ZINC000852945703 661311304 /nfs/dbraw/zinc/31/13/04/661311304.db2.gz UEHOKPTWWULCNI-TZGMSPROSA-N -1 0 357.340 -0.210 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@](C)(OC)C(=O)[O-])CC1 ZINC000852946824 661311319 /nfs/dbraw/zinc/31/13/19/661311319.db2.gz ATWNHYRSFFIOAK-CYBMUJFWSA-N -1 0 351.425 -0.793 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@](C)(OC)C(=O)[O-])CC1 ZINC000852946825 661311472 /nfs/dbraw/zinc/31/14/72/661311472.db2.gz ATWNHYRSFFIOAK-ZDUSSCGKSA-N -1 0 351.425 -0.793 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ccc1F ZINC000852954102 661311309 /nfs/dbraw/zinc/31/13/09/661311309.db2.gz MZJOCQLPEYGXIS-MEBBXXQBSA-N -1 0 372.374 -0.093 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC000852954129 661311316 /nfs/dbraw/zinc/31/13/16/661311316.db2.gz ORCRZQBMYKIHKH-IAQYHMDHSA-N -1 0 354.384 -0.564 20 0 FBADRM O=C([O-])COCC(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000852954238 661311475 /nfs/dbraw/zinc/31/14/75/661311475.db2.gz FQTVBKBWYFTOEG-UHFFFAOYSA-N -1 0 360.164 -0.209 20 0 FBADRM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCC(=O)N1 ZINC000852955795 661311618 /nfs/dbraw/zinc/31/16/18/661311618.db2.gz BKVFYGQHWZQRBN-BHNWBGBOSA-N -1 0 351.281 -0.612 20 0 FBADRM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCC(=O)N1 ZINC000852955796 661311525 /nfs/dbraw/zinc/31/15/25/661311525.db2.gz BKVFYGQHWZQRBN-LKEWCRSYSA-N -1 0 351.281 -0.612 20 0 FBADRM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCC(=O)N1 ZINC000852955797 661311711 /nfs/dbraw/zinc/31/17/11/661311711.db2.gz BKVFYGQHWZQRBN-OOZYFLPDSA-N -1 0 351.281 -0.612 20 0 FBADRM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCC(=O)N1 ZINC000852955798 661311635 /nfs/dbraw/zinc/31/16/35/661311635.db2.gz BKVFYGQHWZQRBN-ZXFLCMHBSA-N -1 0 351.281 -0.612 20 0 FBADRM COCCOCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852956191 661311682 /nfs/dbraw/zinc/31/16/82/661311682.db2.gz GYIZALAJLLFWNB-PSASIEDQSA-N -1 0 356.297 -0.228 20 0 FBADRM COCCOCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852956192 661311768 /nfs/dbraw/zinc/31/17/68/661311768.db2.gz GYIZALAJLLFWNB-SCZZXKLOSA-N -1 0 356.297 -0.228 20 0 FBADRM COCCOCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852956193 661311907 /nfs/dbraw/zinc/31/19/07/661311907.db2.gz GYIZALAJLLFWNB-WCBMZHEXSA-N -1 0 356.297 -0.228 20 0 FBADRM COCCOCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852956194 661311853 /nfs/dbraw/zinc/31/18/53/661311853.db2.gz GYIZALAJLLFWNB-WPRPVWTQSA-N -1 0 356.297 -0.228 20 0 FBADRM CN1C[C@H](C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])NC1=O ZINC000852958001 661311887 /nfs/dbraw/zinc/31/18/87/661311887.db2.gz BAIHRFLPEBJNPA-BWZBUEFSSA-N -1 0 366.296 -0.867 20 0 FBADRM CN1C[C@H](C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])NC1=O ZINC000852958002 661311976 /nfs/dbraw/zinc/31/19/76/661311976.db2.gz BAIHRFLPEBJNPA-PRJMDXOYSA-N -1 0 366.296 -0.867 20 0 FBADRM CN1C[C@H](C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])NC1=O ZINC000852958003 661312081 /nfs/dbraw/zinc/31/20/81/661312081.db2.gz BAIHRFLPEBJNPA-RNJXMRFFSA-N -1 0 366.296 -0.867 20 0 FBADRM CN1C[C@H](C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])NC1=O ZINC000852958004 661312067 /nfs/dbraw/zinc/31/20/67/661312067.db2.gz BAIHRFLPEBJNPA-XLPZGREQSA-N -1 0 366.296 -0.867 20 0 FBADRM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC000852958024 661311991 /nfs/dbraw/zinc/31/19/91/661311991.db2.gz BKVFYGQHWZQRBN-ACLDMZEESA-N -1 0 351.281 -0.612 20 0 FBADRM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC000852958025 661312057 /nfs/dbraw/zinc/31/20/57/661312057.db2.gz BKVFYGQHWZQRBN-BKPPORCPSA-N -1 0 351.281 -0.612 20 0 FBADRM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC000852958026 661312001 /nfs/dbraw/zinc/31/20/01/661312001.db2.gz BKVFYGQHWZQRBN-FJXKBIBVSA-N -1 0 351.281 -0.612 20 0 FBADRM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC000852958027 661311921 /nfs/dbraw/zinc/31/19/21/661311921.db2.gz BKVFYGQHWZQRBN-ZKWXMUAHSA-N -1 0 351.281 -0.612 20 0 FBADRM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C(=O)NC1CC1 ZINC000852958044 661311869 /nfs/dbraw/zinc/31/18/69/661311869.db2.gz BSUBXNPIDMGRFV-HTQZYQBOSA-N -1 0 351.281 -0.612 20 0 FBADRM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)C(=O)NC1CC1 ZINC000852958045 661312019 /nfs/dbraw/zinc/31/20/19/661312019.db2.gz BSUBXNPIDMGRFV-JGVFFNPUSA-N -1 0 351.281 -0.612 20 0 FBADRM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C(=O)NC1CC1 ZINC000852958046 661312075 /nfs/dbraw/zinc/31/20/75/661312075.db2.gz BSUBXNPIDMGRFV-SFYZADRCSA-N -1 0 351.281 -0.612 20 0 FBADRM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)C(=O)NC1CC1 ZINC000852958047 661311971 /nfs/dbraw/zinc/31/19/71/661311971.db2.gz BSUBXNPIDMGRFV-YUMQZZPRSA-N -1 0 351.281 -0.612 20 0 FBADRM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C(=O)NCC1CC1 ZINC000852958635 661312410 /nfs/dbraw/zinc/31/24/10/661312410.db2.gz PGXWGKNGQAUAFN-BDAKNGLRSA-N -1 0 365.308 -0.365 20 0 FBADRM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)C(=O)NCC1CC1 ZINC000852958636 661312352 /nfs/dbraw/zinc/31/23/52/661312352.db2.gz PGXWGKNGQAUAFN-DTWKUNHWSA-N -1 0 365.308 -0.365 20 0 FBADRM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)C(=O)NCC1CC1 ZINC000852958637 661312154 /nfs/dbraw/zinc/31/21/54/661312154.db2.gz PGXWGKNGQAUAFN-IUCAKERBSA-N -1 0 365.308 -0.365 20 0 FBADRM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C(=O)NCC1CC1 ZINC000852958638 661312374 /nfs/dbraw/zinc/31/23/74/661312374.db2.gz PGXWGKNGQAUAFN-RKDXNWHRSA-N -1 0 365.308 -0.365 20 0 FBADRM CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852958655 661312314 /nfs/dbraw/zinc/31/23/14/661312314.db2.gz QHXFCSZMZBBZAR-GMSGAONNSA-N -1 0 353.297 -0.365 20 0 FBADRM CCNC(=O)CC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852958656 661312399 /nfs/dbraw/zinc/31/23/99/661312399.db2.gz QHXFCSZMZBBZAR-OIBJUYFYSA-N -1 0 353.297 -0.365 20 0 FBADRM CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852958657 661312273 /nfs/dbraw/zinc/31/22/73/661312273.db2.gz QHXFCSZMZBBZAR-XCBNKYQSSA-N -1 0 353.297 -0.365 20 0 FBADRM CCNC(=O)CC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852958658 661312329 /nfs/dbraw/zinc/31/23/29/661312329.db2.gz QHXFCSZMZBBZAR-XVKPBYJWSA-N -1 0 353.297 -0.365 20 0 FBADRM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCC(=O)NC1 ZINC000852959006 661312393 /nfs/dbraw/zinc/31/23/93/661312393.db2.gz VTKOMTSHSHFRQI-NRPADANISA-N -1 0 365.308 -0.365 20 0 FBADRM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCC(=O)NC1 ZINC000852959007 661312244 /nfs/dbraw/zinc/31/22/44/661312244.db2.gz VTKOMTSHSHFRQI-OYNCUSHFSA-N -1 0 365.308 -0.365 20 0 FBADRM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCC(=O)NC1 ZINC000852959008 661312338 /nfs/dbraw/zinc/31/23/38/661312338.db2.gz VTKOMTSHSHFRQI-QXFUBDJGSA-N -1 0 365.308 -0.365 20 0 FBADRM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCC(=O)NC1 ZINC000852959009 661312184 /nfs/dbraw/zinc/31/21/84/661312184.db2.gz VTKOMTSHSHFRQI-XKSSXDPKSA-N -1 0 365.308 -0.365 20 0 FBADRM CN1C[C@H](C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])CC1=O ZINC000852959218 661312281 /nfs/dbraw/zinc/31/22/81/661312281.db2.gz YPXBLICYEXLDAA-KHQFGBGNSA-N -1 0 365.308 -0.413 20 0 FBADRM CN1C[C@H](C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])CC1=O ZINC000852959219 661312209 /nfs/dbraw/zinc/31/22/09/661312209.db2.gz YPXBLICYEXLDAA-MRTMQBJTSA-N -1 0 365.308 -0.413 20 0 FBADRM CN1C[C@H](C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])CC1=O ZINC000852959220 661312300 /nfs/dbraw/zinc/31/23/00/661312300.db2.gz YPXBLICYEXLDAA-NQMVMOMDSA-N -1 0 365.308 -0.413 20 0 FBADRM CN1C[C@H](C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])CC1=O ZINC000852959221 661312215 /nfs/dbraw/zinc/31/22/15/661312215.db2.gz YPXBLICYEXLDAA-WEDXCCLWSA-N -1 0 365.308 -0.413 20 0 FBADRM O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC1(C(=O)[O-])CCOCC1 ZINC000852959345 661312169 /nfs/dbraw/zinc/31/21/69/661312169.db2.gz IQACYYFIFOMDRL-UHFFFAOYSA-N -1 0 368.367 -0.419 20 0 FBADRM O=C([O-])C1(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CCOCC1 ZINC000852959647 661312528 /nfs/dbraw/zinc/31/25/28/661312528.db2.gz SOBCHJBFEAIOPL-UHFFFAOYSA-N -1 0 355.372 -0.766 20 0 FBADRM Cc1cc(F)cc2c1S(=O)(=O)N([C@H]1CCN(CC(=O)[O-])C1=O)C2=O ZINC000853002023 661312631 /nfs/dbraw/zinc/31/26/31/661312631.db2.gz FEHNVUZEZSNVOE-JTQLQIEISA-N -1 0 356.331 -0.036 20 0 FBADRM Cc1cc(F)cc2c1S(=O)(=O)N([C@@H]1CCN(CC(=O)[O-])C1=O)C2=O ZINC000853002024 661312619 /nfs/dbraw/zinc/31/26/19/661312619.db2.gz FEHNVUZEZSNVOE-SNVBAGLBSA-N -1 0 356.331 -0.036 20 0 FBADRM Cn1nc(Br)c2c1ncn([C@H]1CCN(CC(=O)[O-])C1=O)c2=O ZINC000853003305 661312585 /nfs/dbraw/zinc/31/25/85/661312585.db2.gz IPLNARRMQXCQIU-LURJTMIESA-N -1 0 370.163 -0.250 20 0 FBADRM Cn1nc(Br)c2c1ncn([C@@H]1CCN(CC(=O)[O-])C1=O)c2=O ZINC000853003306 661312625 /nfs/dbraw/zinc/31/26/25/661312625.db2.gz IPLNARRMQXCQIU-ZCFIWIBFSA-N -1 0 370.163 -0.250 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@@H]3CC=C(C(=O)[O-])C3)cnc21 ZINC000853068929 661313010 /nfs/dbraw/zinc/31/30/10/661313010.db2.gz JMKFIFMVOOCHBV-MRVPVSSYSA-N -1 0 366.355 -0.514 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@H]3CC=C(C(=O)[O-])C3)cnc21 ZINC000853068930 661313019 /nfs/dbraw/zinc/31/30/19/661313019.db2.gz JMKFIFMVOOCHBV-QMMMGPOBSA-N -1 0 366.355 -0.514 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1 ZINC000853069455 661313013 /nfs/dbraw/zinc/31/30/13/661313013.db2.gz NSNIEJZASCUINU-GFCCVEGCSA-N -1 0 366.461 -0.249 20 0 FBADRM CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1 ZINC000853069456 661312966 /nfs/dbraw/zinc/31/29/66/661312966.db2.gz NSNIEJZASCUINU-LBPRGKRZSA-N -1 0 366.461 -0.249 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2C[C@@H]3C[C@@]2(C(=O)[O-])[C@@H]3C)CC1 ZINC000853070063 661313025 /nfs/dbraw/zinc/31/30/25/661313025.db2.gz KVXDRAZKOGVACY-SUNKGSAMSA-N -1 0 361.420 -0.200 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC000853070137 661312905 /nfs/dbraw/zinc/31/29/05/661312905.db2.gz LOXFPCKQMPWGEW-UHFFFAOYSA-N -1 0 366.417 -0.073 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CC3(CCC3)[C@H]2C(=O)[O-])CC1 ZINC000853070229 661312928 /nfs/dbraw/zinc/31/29/28/661312928.db2.gz MVCLAFNXNHQBFR-LLVKDONJSA-N -1 0 361.420 -0.056 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CC3(CCC3)[C@@H]2C(=O)[O-])CC1 ZINC000853070242 661312960 /nfs/dbraw/zinc/31/29/60/661312960.db2.gz MVCLAFNXNHQBFR-NSHDSACASA-N -1 0 361.420 -0.056 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000853106436 661313114 /nfs/dbraw/zinc/31/31/14/661313114.db2.gz ZJQLKHWPZMLARM-KYZUINATSA-N -1 0 350.393 -0.091 20 0 FBADRM CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)C1 ZINC000853110239 661313133 /nfs/dbraw/zinc/31/31/33/661313133.db2.gz MITRFEIIEBUORS-XYPYZODXSA-N -1 0 363.436 -0.017 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000853117865 661313117 /nfs/dbraw/zinc/31/31/17/661313117.db2.gz GKIYQVRMKYFLRE-KYZUINATSA-N -1 0 359.408 -0.077 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnn2)cc1)OC ZINC000853199695 661313541 /nfs/dbraw/zinc/31/35/41/661313541.db2.gz AVUJUOWPYCMNAS-CYBMUJFWSA-N -1 0 369.403 -0.688 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnn2)cc1)OC ZINC000853199696 661313580 /nfs/dbraw/zinc/31/35/80/661313580.db2.gz AVUJUOWPYCMNAS-ZDUSSCGKSA-N -1 0 369.403 -0.688 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccsc1)OC ZINC000853199703 661313493 /nfs/dbraw/zinc/31/34/93/661313493.db2.gz BFEOMGWEQGIBSE-LLVKDONJSA-N -1 0 364.445 -0.025 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccsc1)OC ZINC000853199704 661313520 /nfs/dbraw/zinc/31/35/20/661313520.db2.gz BFEOMGWEQGIBSE-NSHDSACASA-N -1 0 364.445 -0.025 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)nc1)OC ZINC000853199711 661313557 /nfs/dbraw/zinc/31/35/57/661313557.db2.gz BJHWCZRZVSWQII-CYBMUJFWSA-N -1 0 373.431 -0.361 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)nc1)OC ZINC000853199723 661313571 /nfs/dbraw/zinc/31/35/71/661313571.db2.gz BJHWCZRZVSWQII-ZDUSSCGKSA-N -1 0 373.431 -0.361 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2C(=O)O1)OC ZINC000853199726 661313483 /nfs/dbraw/zinc/31/34/83/661313483.db2.gz BLFZZKXAAIAVRQ-AAEUAGOBSA-N -1 0 357.384 -0.125 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2C(=O)O1)OC ZINC000853199727 661313530 /nfs/dbraw/zinc/31/35/30/661313530.db2.gz BLFZZKXAAIAVRQ-DGCLKSJQSA-N -1 0 357.384 -0.125 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2C(=O)O1)OC ZINC000853199728 661313503 /nfs/dbraw/zinc/31/35/03/661313503.db2.gz BLFZZKXAAIAVRQ-WCQYABFASA-N -1 0 357.384 -0.125 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2C(=O)O1)OC ZINC000853199729 661313564 /nfs/dbraw/zinc/31/35/64/661313564.db2.gz BLFZZKXAAIAVRQ-YPMHNXCESA-N -1 0 357.384 -0.125 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CN1C(=O)COc2ccccc21)OC ZINC000853199791 661313583 /nfs/dbraw/zinc/31/35/83/661313583.db2.gz CJBPZFRFUAFAHW-LLVKDONJSA-N -1 0 372.399 -0.481 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CN1C(=O)COc2ccccc21)OC ZINC000853199793 661313464 /nfs/dbraw/zinc/31/34/64/661313464.db2.gz CJBPZFRFUAFAHW-NSHDSACASA-N -1 0 372.399 -0.481 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)cc1)OC ZINC000853199813 661313547 /nfs/dbraw/zinc/31/35/47/661313547.db2.gz BNEMDRDYEVLGPW-LLVKDONJSA-N -1 0 365.429 -0.189 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)cc1)OC ZINC000853199816 661313473 /nfs/dbraw/zinc/31/34/73/661313473.db2.gz BNEMDRDYEVLGPW-NSHDSACASA-N -1 0 365.429 -0.189 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)OC ZINC000853199849 661313497 /nfs/dbraw/zinc/31/34/97/661313497.db2.gz CNTDRHDXQJRLSU-AAEUAGOBSA-N -1 0 374.415 -0.265 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)OC ZINC000853199850 661313488 /nfs/dbraw/zinc/31/34/88/661313488.db2.gz CNTDRHDXQJRLSU-DGCLKSJQSA-N -1 0 374.415 -0.265 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)OC ZINC000853199851 661313576 /nfs/dbraw/zinc/31/35/76/661313576.db2.gz CNTDRHDXQJRLSU-WCQYABFASA-N -1 0 374.415 -0.265 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)OC ZINC000853199852 661313545 /nfs/dbraw/zinc/31/35/45/661313545.db2.gz CNTDRHDXQJRLSU-YPMHNXCESA-N -1 0 374.415 -0.265 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(-n2cncn2)cc1)OC ZINC000853199878 661313475 /nfs/dbraw/zinc/31/34/75/661313475.db2.gz CXFGDRAJTVRJSF-CYBMUJFWSA-N -1 0 354.388 -0.012 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(-n2cncn2)cc1)OC ZINC000853199879 661313535 /nfs/dbraw/zinc/31/35/35/661313535.db2.gz CXFGDRAJTVRJSF-ZDUSSCGKSA-N -1 0 354.388 -0.012 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccccc1)OC ZINC000853200043 661313508 /nfs/dbraw/zinc/31/35/08/661313508.db2.gz FXMOBDIGALPGCR-AWEZNQCLSA-N -1 0 372.443 -0.157 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccccc1)OC ZINC000853200045 661313568 /nfs/dbraw/zinc/31/35/68/661313568.db2.gz FXMOBDIGALPGCR-CQSZACIVSA-N -1 0 372.443 -0.157 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(CNC(N)=O)cc1)OC ZINC000853200227 661313469 /nfs/dbraw/zinc/31/34/69/661313469.db2.gz HZQDPGSUPQJDIC-GFCCVEGCSA-N -1 0 359.404 -0.424 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(CNC(N)=O)cc1)OC ZINC000853200229 661313517 /nfs/dbraw/zinc/31/35/17/661313517.db2.gz HZQDPGSUPQJDIC-LBPRGKRZSA-N -1 0 359.404 -0.424 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CCn1c(C)csc1=O)OC ZINC000853200340 661313510 /nfs/dbraw/zinc/31/35/10/661313510.db2.gz JPTSBUPTXCWMDI-JTQLQIEISA-N -1 0 352.434 -0.284 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CCn1c(C)csc1=O)OC ZINC000853200342 661313528 /nfs/dbraw/zinc/31/35/28/661313528.db2.gz JPTSBUPTXCWMDI-SNVBAGLBSA-N -1 0 352.434 -0.284 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccs1)OC ZINC000853200378 661313513 /nfs/dbraw/zinc/31/35/13/661313513.db2.gz KAMNEBSFHJGZOF-JTQLQIEISA-N -1 0 364.445 -0.025 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccs1)OC ZINC000853200379 661313551 /nfs/dbraw/zinc/31/35/51/661313551.db2.gz KAMNEBSFHJGZOF-SNVBAGLBSA-N -1 0 364.445 -0.025 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(C)nn2C)OC ZINC000853200488 661313587 /nfs/dbraw/zinc/31/35/87/661313587.db2.gz LBCGXEZTZHJEAW-LLVKDONJSA-N -1 0 356.404 -0.002 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(C)nn2C)OC ZINC000853200490 661313506 /nfs/dbraw/zinc/31/35/06/661313506.db2.gz LBCGXEZTZHJEAW-NSHDSACASA-N -1 0 356.404 -0.002 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CNC(=O)Nc1ccccc1)OC ZINC000853200525 661313491 /nfs/dbraw/zinc/31/34/91/661313491.db2.gz LKDVVCHKMGRUAJ-GFCCVEGCSA-N -1 0 359.404 -0.085 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CNC(=O)Nc1ccccc1)OC ZINC000853200527 661313538 /nfs/dbraw/zinc/31/35/38/661313538.db2.gz LKDVVCHKMGRUAJ-LBPRGKRZSA-N -1 0 359.404 -0.085 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1cccs1)OC ZINC000853200604 661313479 /nfs/dbraw/zinc/31/34/79/661313479.db2.gz MQCUHSUDGPSGTP-NXEZZACHSA-N -1 0 364.445 -0.026 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1cccs1)OC ZINC000853200606 661313560 /nfs/dbraw/zinc/31/35/60/661313560.db2.gz MQCUHSUDGPSGTP-UWVGGRQHSA-N -1 0 364.445 -0.026 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1cccs1)OC ZINC000853200608 661313683 /nfs/dbraw/zinc/31/36/83/661313683.db2.gz MQCUHSUDGPSGTP-VHSXEESVSA-N -1 0 364.445 -0.026 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1cccs1)OC ZINC000853200610 661313774 /nfs/dbraw/zinc/31/37/74/661313774.db2.gz MQCUHSUDGPSGTP-ZJUUUORDSA-N -1 0 364.445 -0.026 20 0 FBADRM CCOC(=O)N1CCC(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)CC1 ZINC000853200636 661313753 /nfs/dbraw/zinc/31/37/53/661313753.db2.gz MWUINKOGLLBHFY-GFCCVEGCSA-N -1 0 366.436 -0.038 20 0 FBADRM CCOC(=O)N1CCC(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)CC1 ZINC000853200639 661313652 /nfs/dbraw/zinc/31/36/52/661313652.db2.gz MWUINKOGLLBHFY-LBPRGKRZSA-N -1 0 366.436 -0.038 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1nn(C)c(=O)c2ccccc21)OC ZINC000853200763 661313728 /nfs/dbraw/zinc/31/37/28/661313728.db2.gz NYACCEPRMJQQIP-JTQLQIEISA-N -1 0 369.399 -0.346 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1nn(C)c(=O)c2ccccc21)OC ZINC000853200765 661313672 /nfs/dbraw/zinc/31/36/72/661313672.db2.gz NYACCEPRMJQQIP-SNVBAGLBSA-N -1 0 369.399 -0.346 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C[C@@H]1Oc2ccccc2NC1=O)OC ZINC000853200784 661313771 /nfs/dbraw/zinc/31/37/71/661313771.db2.gz OCJGNXLGBQQUBT-GWCFXTLKSA-N -1 0 372.399 -0.116 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C[C@H]1Oc2ccccc2NC1=O)OC ZINC000853200785 661313679 /nfs/dbraw/zinc/31/36/79/661313679.db2.gz OCJGNXLGBQQUBT-GXFFZTMASA-N -1 0 372.399 -0.116 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C[C@@H]1Oc2ccccc2NC1=O)OC ZINC000853200786 661313627 /nfs/dbraw/zinc/31/36/27/661313627.db2.gz OCJGNXLGBQQUBT-MFKMUULPSA-N -1 0 372.399 -0.116 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C[C@H]1Oc2ccccc2NC1=O)OC ZINC000853200787 661313731 /nfs/dbraw/zinc/31/37/31/661313731.db2.gz OCJGNXLGBQQUBT-ZWNOBZJWSA-N -1 0 372.399 -0.116 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)Cn1c(=O)cnc2ccccc21)OC ZINC000853200848 661313709 /nfs/dbraw/zinc/31/37/09/661313709.db2.gz PHWBGJFQENITBX-LLVKDONJSA-N -1 0 369.399 -0.496 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)Cn1c(=O)cnc2ccccc21)OC ZINC000853200849 661313749 /nfs/dbraw/zinc/31/37/49/661313749.db2.gz PHWBGJFQENITBX-NSHDSACASA-N -1 0 369.399 -0.496 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccccc1)OC ZINC000853200864 661313690 /nfs/dbraw/zinc/31/36/90/661313690.db2.gz PSDCFQOBTLUJDP-AAEUAGOBSA-N -1 0 358.416 -0.088 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1ccccc1)OC ZINC000853200865 661313767 /nfs/dbraw/zinc/31/37/67/661313767.db2.gz PSDCFQOBTLUJDP-DGCLKSJQSA-N -1 0 358.416 -0.088 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccccc1)OC ZINC000853200866 661313725 /nfs/dbraw/zinc/31/37/25/661313725.db2.gz PSDCFQOBTLUJDP-WCQYABFASA-N -1 0 358.416 -0.088 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c1ccccc1)OC ZINC000853200867 661313642 /nfs/dbraw/zinc/31/36/42/661313642.db2.gz PSDCFQOBTLUJDP-YPMHNXCESA-N -1 0 358.416 -0.088 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cnn(-c2ccccc2)n1)OC ZINC000853200890 661313631 /nfs/dbraw/zinc/31/36/31/661313631.db2.gz QCZXHJFRAQOTPJ-GFCCVEGCSA-N -1 0 354.388 -0.012 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cnn(-c2ccccc2)n1)OC ZINC000853200891 661313741 /nfs/dbraw/zinc/31/37/41/661313741.db2.gz QCZXHJFRAQOTPJ-LBPRGKRZSA-N -1 0 354.388 -0.012 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)OC ZINC000853200956 661313700 /nfs/dbraw/zinc/31/37/00/661313700.db2.gz QNPSBOPTZBSDJT-BREBYQMCSA-N -1 0 366.461 -0.452 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)OC ZINC000853200960 661313644 /nfs/dbraw/zinc/31/36/44/661313644.db2.gz QNPSBOPTZBSDJT-GBIKHYSHSA-N -1 0 366.461 -0.452 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)OC ZINC000853200964 661313693 /nfs/dbraw/zinc/31/36/93/661313693.db2.gz QNPSBOPTZBSDJT-GIPNMCIBSA-N -1 0 366.461 -0.452 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)OC ZINC000853200968 661313761 /nfs/dbraw/zinc/31/37/61/661313761.db2.gz QNPSBOPTZBSDJT-NRUUGDAUSA-N -1 0 366.461 -0.452 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1)OC ZINC000853201019 661313664 /nfs/dbraw/zinc/31/36/64/661313664.db2.gz UWYZVFLHVQFXCU-GFCCVEGCSA-N -1 0 355.376 -0.617 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1)OC ZINC000853201022 661313697 /nfs/dbraw/zinc/31/36/97/661313697.db2.gz UWYZVFLHVQFXCU-LBPRGKRZSA-N -1 0 355.376 -0.617 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CO2)OC ZINC000853201049 661313745 /nfs/dbraw/zinc/31/37/45/661313745.db2.gz RFPHDVXTOFSBAS-JTQLQIEISA-N -1 0 358.372 -0.262 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CO2)OC ZINC000853201051 661313648 /nfs/dbraw/zinc/31/36/48/661313648.db2.gz RFPHDVXTOFSBAS-SNVBAGLBSA-N -1 0 358.372 -0.262 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)Cn1c2ccccc2n(C)c1=O)OC ZINC000853201056 661313656 /nfs/dbraw/zinc/31/36/56/661313656.db2.gz RFWBUCLIYDGBGX-LLVKDONJSA-N -1 0 371.415 -0.553 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)Cn1c2ccccc2n(C)c1=O)OC ZINC000853201058 661313686 /nfs/dbraw/zinc/31/36/86/661313686.db2.gz RFWBUCLIYDGBGX-NSHDSACASA-N -1 0 371.415 -0.553 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cccc(OCC(N)=O)c1)OC ZINC000853201093 661313667 /nfs/dbraw/zinc/31/36/67/661313667.db2.gz BALVBEXMMCOPEC-GFCCVEGCSA-N -1 0 360.388 -0.728 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cccc(OCC(N)=O)c1)OC ZINC000853201095 661313738 /nfs/dbraw/zinc/31/37/38/661313738.db2.gz BALVBEXMMCOPEC-LBPRGKRZSA-N -1 0 360.388 -0.728 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)Cn1cc(Br)cn1)OC ZINC000853201101 661313734 /nfs/dbraw/zinc/31/37/34/661313734.db2.gz BCARIUNOPYGQOT-SECBINFHSA-N -1 0 370.225 -0.247 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)Cn1cc(Br)cn1)OC ZINC000853201103 661313676 /nfs/dbraw/zinc/31/36/76/661313676.db2.gz BCARIUNOPYGQOT-VIFPVBQESA-N -1 0 370.225 -0.247 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CCS(=O)(=O)C1CCCC1)OC ZINC000853201161 661313757 /nfs/dbraw/zinc/31/37/57/661313757.db2.gz BUTKFZHPNYZLNE-LLVKDONJSA-N -1 0 371.477 -0.159 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CCS(=O)(=O)C1CCCC1)OC ZINC000853201162 661313713 /nfs/dbraw/zinc/31/37/13/661313713.db2.gz BUTKFZHPNYZLNE-NSHDSACASA-N -1 0 371.477 -0.159 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)C(=O)N(C)C2=O)OC ZINC000853201229 661313721 /nfs/dbraw/zinc/31/37/21/661313721.db2.gz SLEYNSPEROALAM-JTQLQIEISA-N -1 0 370.383 -0.367 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)C(=O)N(C)C2=O)OC ZINC000853201231 661313635 /nfs/dbraw/zinc/31/36/35/661313635.db2.gz SLEYNSPEROALAM-SNVBAGLBSA-N -1 0 370.383 -0.367 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)cc1)OC ZINC000853201233 661313777 /nfs/dbraw/zinc/31/37/77/661313777.db2.gz SLFDSIVGWPFENE-GFCCVEGCSA-N -1 0 360.388 -0.728 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)cc1)OC ZINC000853201235 661313705 /nfs/dbraw/zinc/31/37/05/661313705.db2.gz SLFDSIVGWPFENE-LBPRGKRZSA-N -1 0 360.388 -0.728 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@]12CCC(=O)N1CCS2)OC ZINC000853201258 661313659 /nfs/dbraw/zinc/31/36/59/661313659.db2.gz SSPBQIGWUNDGSN-BXKDBHETSA-N -1 0 352.434 -0.841 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@]12CCC(=O)N1CCS2)OC ZINC000853201261 661313717 /nfs/dbraw/zinc/31/37/17/661313717.db2.gz SSPBQIGWUNDGSN-CABZTGNLSA-N -1 0 352.434 -0.841 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@]12CCC(=O)N1CCS2)OC ZINC000853201263 661313849 /nfs/dbraw/zinc/31/38/49/661313849.db2.gz SSPBQIGWUNDGSN-JOYOIKCWSA-N -1 0 352.434 -0.841 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@]12CCC(=O)N1CCS2)OC ZINC000853201266 661313952 /nfs/dbraw/zinc/31/39/52/661313952.db2.gz SSPBQIGWUNDGSN-SKDRFNHKSA-N -1 0 352.434 -0.841 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cccc(-n2cnnn2)c1)OC ZINC000853201359 661313955 /nfs/dbraw/zinc/31/39/55/661313955.db2.gz YSGFOTJEOGAKKK-GFCCVEGCSA-N -1 0 355.376 -0.617 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cccc(-n2cnnn2)c1)OC ZINC000853201362 661313934 /nfs/dbraw/zinc/31/39/34/661313934.db2.gz YSGFOTJEOGAKKK-LBPRGKRZSA-N -1 0 355.376 -0.617 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)OC ZINC000853201453 661313873 /nfs/dbraw/zinc/31/38/73/661313873.db2.gz DMZFSKRSJWPKMH-GHMZBOCLSA-N -1 0 350.437 -0.259 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)OC ZINC000853201454 661313906 /nfs/dbraw/zinc/31/39/06/661313906.db2.gz DMZFSKRSJWPKMH-MNOVXSKESA-N -1 0 350.437 -0.259 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)OC ZINC000853201455 661313940 /nfs/dbraw/zinc/31/39/40/661313940.db2.gz DMZFSKRSJWPKMH-QWRGUYRKSA-N -1 0 350.437 -0.259 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)OC ZINC000853201456 661313914 /nfs/dbraw/zinc/31/39/14/661313914.db2.gz DMZFSKRSJWPKMH-WDEREUQCSA-N -1 0 350.437 -0.259 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1csc(NC(C)=O)n1)OC ZINC000853201655 661313938 /nfs/dbraw/zinc/31/39/38/661313938.db2.gz WKTILUJHQAOTRE-MRVPVSSYSA-N -1 0 351.406 -0.178 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1csc(NC(C)=O)n1)OC ZINC000853201657 661313863 /nfs/dbraw/zinc/31/38/63/661313863.db2.gz WKTILUJHQAOTRE-QMMMGPOBSA-N -1 0 351.406 -0.178 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCC(=O)N2)OC ZINC000853201754 661313853 /nfs/dbraw/zinc/31/38/53/661313853.db2.gz XHNLDEQNMBVHBE-JTQLQIEISA-N -1 0 358.372 -0.262 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCC(=O)N2)OC ZINC000853201756 661313943 /nfs/dbraw/zinc/31/39/43/661313943.db2.gz XHNLDEQNMBVHBE-SNVBAGLBSA-N -1 0 358.372 -0.262 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)c(C)c1)OC ZINC000853201828 661313877 /nfs/dbraw/zinc/31/38/77/661313877.db2.gz HRJIFGUOJSXZPX-GFCCVEGCSA-N -1 0 369.403 -0.308 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)c(C)c1)OC ZINC000853201830 661313956 /nfs/dbraw/zinc/31/39/56/661313956.db2.gz HRJIFGUOJSXZPX-LBPRGKRZSA-N -1 0 369.403 -0.308 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(C)C)C1)OC ZINC000853202014 661313889 /nfs/dbraw/zinc/31/38/89/661313889.db2.gz KIXZVTRKDNUKAK-NEPJUHHUSA-N -1 0 350.437 -0.402 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(C)C)C1)OC ZINC000853202015 661313946 /nfs/dbraw/zinc/31/39/46/661313946.db2.gz KIXZVTRKDNUKAK-NWDGAFQWSA-N -1 0 350.437 -0.402 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(C)C)C1)OC ZINC000853202016 661313921 /nfs/dbraw/zinc/31/39/21/661313921.db2.gz KIXZVTRKDNUKAK-RYUDHWBXSA-N -1 0 350.437 -0.402 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(C)C)C1)OC ZINC000853202017 661313842 /nfs/dbraw/zinc/31/38/42/661313842.db2.gz KIXZVTRKDNUKAK-VXGBXAGGSA-N -1 0 350.437 -0.402 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cn(-c2ccccc2)nn1)OC ZINC000853202033 661313954 /nfs/dbraw/zinc/31/39/54/661313954.db2.gz KWTKRXQHTHBFAJ-GFCCVEGCSA-N -1 0 354.388 -0.012 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cn(-c2ccccc2)nn1)OC ZINC000853202034 661313942 /nfs/dbraw/zinc/31/39/42/661313942.db2.gz KWTKRXQHTHBFAJ-LBPRGKRZSA-N -1 0 354.388 -0.012 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(N2CCNC2=O)cc1)OC ZINC000853202035 661313902 /nfs/dbraw/zinc/31/39/02/661313902.db2.gz KZQOBBQNOVHOCJ-CYBMUJFWSA-N -1 0 371.415 -0.063 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(N2CCNC2=O)cc1)OC ZINC000853202036 661313860 /nfs/dbraw/zinc/31/38/60/661313860.db2.gz KZQOBBQNOVHOCJ-ZDUSSCGKSA-N -1 0 371.415 -0.063 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cccc(-n2cccn2)n1)OC ZINC000853202068 661313945 /nfs/dbraw/zinc/31/39/45/661313945.db2.gz AIONQOODDUHDNN-LLVKDONJSA-N -1 0 354.388 -0.012 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cccc(-n2cccn2)n1)OC ZINC000853202069 661313897 /nfs/dbraw/zinc/31/38/97/661313897.db2.gz AIONQOODDUHDNN-NSHDSACASA-N -1 0 354.388 -0.012 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H](C(C)C)N1CCCC1=O)OC ZINC000853202079 661313846 /nfs/dbraw/zinc/31/38/46/661313846.db2.gz ALIKSGXGDVTNML-AAEUAGOBSA-N -1 0 350.437 -0.259 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N1CCCC1=O)OC ZINC000853202080 661313886 /nfs/dbraw/zinc/31/38/86/661313886.db2.gz ALIKSGXGDVTNML-DGCLKSJQSA-N -1 0 350.437 -0.259 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N1CCCC1=O)OC ZINC000853202081 661313948 /nfs/dbraw/zinc/31/39/48/661313948.db2.gz ALIKSGXGDVTNML-WCQYABFASA-N -1 0 350.437 -0.259 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H](C(C)C)N1CCCC1=O)OC ZINC000853202082 661313929 /nfs/dbraw/zinc/31/39/29/661313929.db2.gz ALIKSGXGDVTNML-YPMHNXCESA-N -1 0 350.437 -0.259 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cccc(-n2cncn2)c1)OC ZINC000853202140 661313932 /nfs/dbraw/zinc/31/39/32/661313932.db2.gz BMANETRATKJYED-CYBMUJFWSA-N -1 0 354.388 -0.012 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cccc(-n2cncn2)c1)OC ZINC000853202141 661313832 /nfs/dbraw/zinc/31/38/32/661313832.db2.gz BMANETRATKJYED-ZDUSSCGKSA-N -1 0 354.388 -0.012 20 0 FBADRM CCOC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)C(C)C ZINC000853202161 661313926 /nfs/dbraw/zinc/31/39/26/661313926.db2.gz LMIXBCXXHYDZPL-GHMZBOCLSA-N -1 0 354.425 -0.136 20 0 FBADRM CCOC(=O)N[C@H](C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)C(C)C ZINC000853202162 661313949 /nfs/dbraw/zinc/31/39/49/661313949.db2.gz LMIXBCXXHYDZPL-MNOVXSKESA-N -1 0 354.425 -0.136 20 0 FBADRM CCOC(=O)N[C@H](C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)C(C)C ZINC000853202163 661313882 /nfs/dbraw/zinc/31/38/82/661313882.db2.gz LMIXBCXXHYDZPL-QWRGUYRKSA-N -1 0 354.425 -0.136 20 0 FBADRM CCOC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)C(C)C ZINC000853202164 661313894 /nfs/dbraw/zinc/31/38/94/661313894.db2.gz LMIXBCXXHYDZPL-WDEREUQCSA-N -1 0 354.425 -0.136 20 0 FBADRM CCOC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)C1 ZINC000853202238 661313857 /nfs/dbraw/zinc/31/38/57/661313857.db2.gz NNSPGPKIDDJJQH-NEPJUHHUSA-N -1 0 366.436 -0.038 20 0 FBADRM CCOC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)C1 ZINC000853202239 661313910 /nfs/dbraw/zinc/31/39/10/661313910.db2.gz NNSPGPKIDDJJQH-NWDGAFQWSA-N -1 0 366.436 -0.038 20 0 FBADRM CCOC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)C1 ZINC000853202240 661313951 /nfs/dbraw/zinc/31/39/51/661313951.db2.gz NNSPGPKIDDJJQH-RYUDHWBXSA-N -1 0 366.436 -0.038 20 0 FBADRM CCOC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)C1 ZINC000853202241 661313867 /nfs/dbraw/zinc/31/38/67/661313867.db2.gz NNSPGPKIDDJJQH-VXGBXAGGSA-N -1 0 366.436 -0.038 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)[nH]c(=O)n2C)OC ZINC000853202293 661313992 /nfs/dbraw/zinc/31/39/92/661313992.db2.gz CMLVENWFIWPHNY-JTQLQIEISA-N -1 0 357.388 0.000 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)[nH]c(=O)n2C)OC ZINC000853202294 661314019 /nfs/dbraw/zinc/31/40/19/661314019.db2.gz CMLVENWFIWPHNY-SNVBAGLBSA-N -1 0 357.388 0.000 20 0 FBADRM CCC(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC ZINC000853202353 661314117 /nfs/dbraw/zinc/31/41/17/661314117.db2.gz FHYQFJKSZUGJHI-NEPJUHHUSA-N -1 0 350.437 -0.115 20 0 FBADRM CCC(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@H](COC)OC ZINC000853202354 661314105 /nfs/dbraw/zinc/31/41/05/661314105.db2.gz FHYQFJKSZUGJHI-NWDGAFQWSA-N -1 0 350.437 -0.115 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C[C@@H](NC(N)=O)c1ccccc1)OC ZINC000853202381 661314069 /nfs/dbraw/zinc/31/40/69/661314069.db2.gz OCZSHZZSMKYPLX-CHWSQXEVSA-N -1 0 373.431 -0.107 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C[C@H](NC(N)=O)c1ccccc1)OC ZINC000853202382 661314113 /nfs/dbraw/zinc/31/41/13/661314113.db2.gz OCZSHZZSMKYPLX-OLZOCXBDSA-N -1 0 373.431 -0.107 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C[C@@H](NC(N)=O)c1ccccc1)OC ZINC000853202383 661314056 /nfs/dbraw/zinc/31/40/56/661314056.db2.gz OCZSHZZSMKYPLX-QWHCGFSZSA-N -1 0 373.431 -0.107 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C[C@H](NC(N)=O)c1ccccc1)OC ZINC000853202384 661314042 /nfs/dbraw/zinc/31/40/42/661314042.db2.gz OCZSHZZSMKYPLX-STQMWFEESA-N -1 0 373.431 -0.107 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C1CCCC1)OC ZINC000853202398 661314067 /nfs/dbraw/zinc/31/40/67/661314067.db2.gz ONHKMTNADMADHD-CHWSQXEVSA-N -1 0 350.437 -0.211 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H](NC(C)=O)C1CCCC1)OC ZINC000853202399 661314023 /nfs/dbraw/zinc/31/40/23/661314023.db2.gz ONHKMTNADMADHD-OLZOCXBDSA-N -1 0 350.437 -0.211 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C1CCCC1)OC ZINC000853202400 661314065 /nfs/dbraw/zinc/31/40/65/661314065.db2.gz ONHKMTNADMADHD-QWHCGFSZSA-N -1 0 350.437 -0.211 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H](NC(C)=O)C1CCCC1)OC ZINC000853202401 661314016 /nfs/dbraw/zinc/31/40/16/661314016.db2.gz ONHKMTNADMADHD-STQMWFEESA-N -1 0 350.437 -0.211 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CN(C)C(=O)c1cccs1)OC ZINC000853202402 661314059 /nfs/dbraw/zinc/31/40/59/661314059.db2.gz OOJUEZMCBPWLDB-JTQLQIEISA-N -1 0 364.445 -0.073 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CN(C)C(=O)c1cccs1)OC ZINC000853202403 661314099 /nfs/dbraw/zinc/31/40/99/661314099.db2.gz OOJUEZMCBPWLDB-SNVBAGLBSA-N -1 0 364.445 -0.073 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccccc1OCC(N)=O)OC ZINC000853202408 661314061 /nfs/dbraw/zinc/31/40/61/661314061.db2.gz OPHBFHYETIHVBE-JTQLQIEISA-N -1 0 360.388 -0.728 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccccc1OCC(N)=O)OC ZINC000853202409 661314095 /nfs/dbraw/zinc/31/40/95/661314095.db2.gz OPHBFHYETIHVBE-SNVBAGLBSA-N -1 0 360.388 -0.728 20 0 FBADRM CCC(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H](COC)OC ZINC000853202455 661314111 /nfs/dbraw/zinc/31/41/11/661314111.db2.gz FHYQFJKSZUGJHI-RYUDHWBXSA-N -1 0 350.437 -0.115 20 0 FBADRM CCC(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC ZINC000853202456 661314075 /nfs/dbraw/zinc/31/40/75/661314075.db2.gz FHYQFJKSZUGJHI-VXGBXAGGSA-N -1 0 350.437 -0.115 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2)nn1)OC ZINC000853202631 661314086 /nfs/dbraw/zinc/31/40/86/661314086.db2.gz BPDKNUWHPBDIMN-LLVKDONJSA-N -1 0 358.420 -0.202 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2)nn1)OC ZINC000853202632 661314120 /nfs/dbraw/zinc/31/41/20/661314120.db2.gz BPDKNUWHPBDIMN-NSHDSACASA-N -1 0 358.420 -0.202 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CN1CCCCCCC1=O)OC ZINC000853202639 661314028 /nfs/dbraw/zinc/31/40/28/661314028.db2.gz BUBRMGFYLWFHOB-GFCCVEGCSA-N -1 0 350.437 -0.114 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CN1CCCCCCC1=O)OC ZINC000853202640 661314025 /nfs/dbraw/zinc/31/40/25/661314025.db2.gz BUBRMGFYLWFHOB-LBPRGKRZSA-N -1 0 350.437 -0.114 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cnn(C)c1-n1cccc1)OC ZINC000853202666 661314008 /nfs/dbraw/zinc/31/40/08/661314008.db2.gz QJYPGFXIZIBKLQ-LLVKDONJSA-N -1 0 356.404 -0.068 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cnn(C)c1-n1cccc1)OC ZINC000853202667 661314083 /nfs/dbraw/zinc/31/40/83/661314083.db2.gz QJYPGFXIZIBKLQ-NSHDSACASA-N -1 0 356.404 -0.068 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C1CCCC1)OC ZINC000853202688 661314005 /nfs/dbraw/zinc/31/40/05/661314005.db2.gz QUDFYBNGYRERHQ-CMPLNLGQSA-N -1 0 350.437 -0.211 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C1CCCC1)OC ZINC000853202689 661314081 /nfs/dbraw/zinc/31/40/81/661314081.db2.gz QUDFYBNGYRERHQ-JQWIXIFHSA-N -1 0 350.437 -0.211 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C1CCCC1)OC ZINC000853202690 661314091 /nfs/dbraw/zinc/31/40/91/661314091.db2.gz QUDFYBNGYRERHQ-PWSUYJOCSA-N -1 0 350.437 -0.211 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C1CCCC1)OC ZINC000853202691 661314001 /nfs/dbraw/zinc/31/40/01/661314001.db2.gz QUDFYBNGYRERHQ-ZYHUDNBSSA-N -1 0 350.437 -0.211 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccnc(-n2cccn2)c1)OC ZINC000853202803 661314047 /nfs/dbraw/zinc/31/40/47/661314047.db2.gz IMWUHTYLKFCZCJ-GFCCVEGCSA-N -1 0 354.388 -0.012 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccnc(-n2cccn2)c1)OC ZINC000853202804 661314049 /nfs/dbraw/zinc/31/40/49/661314049.db2.gz IMWUHTYLKFCZCJ-LBPRGKRZSA-N -1 0 354.388 -0.012 20 0 FBADRM CCC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)C1 ZINC000853202895 661314072 /nfs/dbraw/zinc/31/40/72/661314072.db2.gz CTTXPHXHTVDCIP-NEPJUHHUSA-N -1 0 350.437 -0.258 20 0 FBADRM CCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)C1 ZINC000853202896 661314108 /nfs/dbraw/zinc/31/41/08/661314108.db2.gz CTTXPHXHTVDCIP-NWDGAFQWSA-N -1 0 350.437 -0.258 20 0 FBADRM CCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)C1 ZINC000853202897 661314053 /nfs/dbraw/zinc/31/40/53/661314053.db2.gz CTTXPHXHTVDCIP-RYUDHWBXSA-N -1 0 350.437 -0.258 20 0 FBADRM CCC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)C1 ZINC000853202898 661314077 /nfs/dbraw/zinc/31/40/77/661314077.db2.gz CTTXPHXHTVDCIP-VXGBXAGGSA-N -1 0 350.437 -0.258 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)COc1ccc(C(N)=O)cc1)OC ZINC000853202954 661314101 /nfs/dbraw/zinc/31/41/01/661314101.db2.gz DYHPQWDKQJGUDN-GFCCVEGCSA-N -1 0 360.388 -0.728 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)COc1ccc(C(N)=O)cc1)OC ZINC000853203155 661313996 /nfs/dbraw/zinc/31/39/96/661313996.db2.gz DYHPQWDKQJGUDN-LBPRGKRZSA-N -1 0 360.388 -0.728 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1sccc1-n1cnnn1)OC ZINC000853203326 661313989 /nfs/dbraw/zinc/31/39/89/661313989.db2.gz XSUSOZLLQHJMDV-MRVPVSSYSA-N -1 0 361.405 -0.555 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1sccc1-n1cnnn1)OC ZINC000853203364 661314014 /nfs/dbraw/zinc/31/40/14/661314014.db2.gz XSUSOZLLQHJMDV-QMMMGPOBSA-N -1 0 361.405 -0.555 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)n1)OC ZINC000853203621 661314248 /nfs/dbraw/zinc/31/42/48/661314248.db2.gz ZQKYRQYVBDSUJY-AWEZNQCLSA-N -1 0 368.415 -0.083 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)n1)OC ZINC000853203623 661314259 /nfs/dbraw/zinc/31/42/59/661314259.db2.gz ZQKYRQYVBDSUJY-CQSZACIVSA-N -1 0 368.415 -0.083 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)OC ZINC000853203635 661314214 /nfs/dbraw/zinc/31/42/14/661314214.db2.gz ZUWMOYJKDJECBB-AAEUAGOBSA-N -1 0 362.448 -0.115 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)OC ZINC000853203637 661314281 /nfs/dbraw/zinc/31/42/81/661314281.db2.gz ZUWMOYJKDJECBB-DGCLKSJQSA-N -1 0 362.448 -0.115 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)OC ZINC000853203639 661314318 /nfs/dbraw/zinc/31/43/18/661314318.db2.gz ZUWMOYJKDJECBB-WCQYABFASA-N -1 0 362.448 -0.115 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)OC ZINC000853203641 661314188 /nfs/dbraw/zinc/31/41/88/661314188.db2.gz ZUWMOYJKDJECBB-YPMHNXCESA-N -1 0 362.448 -0.115 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CSc1nnnn1C1CC1)OC ZINC000853203643 661314325 /nfs/dbraw/zinc/31/43/25/661314325.db2.gz ZXGXXFXLCSJLLH-SECBINFHSA-N -1 0 365.437 -0.793 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CSc1nnnn1C1CC1)OC ZINC000853203645 661314226 /nfs/dbraw/zinc/31/42/26/661314226.db2.gz ZXGXXFXLCSJLLH-VIFPVBQESA-N -1 0 365.437 -0.793 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(=O)OC)OC ZINC000853203681 661314298 /nfs/dbraw/zinc/31/42/98/661314298.db2.gz HFJNNRIEEYPFMJ-MNOVXSKESA-N -1 0 354.425 -0.136 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(=O)OC)OC ZINC000853203682 661314255 /nfs/dbraw/zinc/31/42/55/661314255.db2.gz HFJNNRIEEYPFMJ-QWRGUYRKSA-N -1 0 354.425 -0.136 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)ccc1=O ZINC000853203704 661314195 /nfs/dbraw/zinc/31/41/95/661314195.db2.gz HPBXYDPKYZQANQ-GFCCVEGCSA-N -1 0 362.404 -0.784 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)ccc1=O ZINC000853203705 661314266 /nfs/dbraw/zinc/31/42/66/661314266.db2.gz HPBXYDPKYZQANQ-LBPRGKRZSA-N -1 0 362.404 -0.784 20 0 FBADRM CNC(=O)c1cncc(/C=C\C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)c1 ZINC000853203724 661314263 /nfs/dbraw/zinc/31/42/63/661314263.db2.gz IKKMLQYKEOIADH-DSYXLKISSA-N -1 0 371.415 -0.438 20 0 FBADRM CNC(=O)c1cncc(/C=C/C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)c1 ZINC000853203725 661314212 /nfs/dbraw/zinc/31/42/12/661314212.db2.gz IKKMLQYKEOIADH-IHVVCDCBSA-N -1 0 371.415 -0.438 20 0 FBADRM CNC(=O)c1cncc(/C=C/C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)c1 ZINC000853203726 661314251 /nfs/dbraw/zinc/31/42/51/661314251.db2.gz IKKMLQYKEOIADH-MUBLQREKSA-N -1 0 371.415 -0.438 20 0 FBADRM CNC(=O)c1cncc(/C=C\C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)c1 ZINC000853203727 661314305 /nfs/dbraw/zinc/31/43/05/661314305.db2.gz IKKMLQYKEOIADH-ZFDPJTLLSA-N -1 0 371.415 -0.438 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)N2CCCC2)c1)OC ZINC000853203734 661314321 /nfs/dbraw/zinc/31/43/21/661314321.db2.gz IQVMPMFZIRLHOI-GFCCVEGCSA-N -1 0 373.431 -0.028 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)N2CCCC2)c1)OC ZINC000853203735 661314223 /nfs/dbraw/zinc/31/42/23/661314223.db2.gz IQVMPMFZIRLHOI-LBPRGKRZSA-N -1 0 373.431 -0.028 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CN(C)C(=O)OC(C)(C)C)OC ZINC000853203987 661314273 /nfs/dbraw/zinc/31/42/73/661314273.db2.gz KYTJSRDLHCAXHS-JTQLQIEISA-N -1 0 354.425 -0.039 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CN(C)C(=O)OC(C)(C)C)OC ZINC000853203988 661314219 /nfs/dbraw/zinc/31/42/19/661314219.db2.gz KYTJSRDLHCAXHS-SNVBAGLBSA-N -1 0 354.425 -0.039 20 0 FBADRM CCCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC ZINC000853204406 661314301 /nfs/dbraw/zinc/31/43/01/661314301.db2.gz OSLBFLLVUSEBCE-NEPJUHHUSA-N -1 0 350.437 -0.115 20 0 FBADRM CCCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@H](COC)OC ZINC000853204407 661314239 /nfs/dbraw/zinc/31/42/39/661314239.db2.gz OSLBFLLVUSEBCE-NWDGAFQWSA-N -1 0 350.437 -0.115 20 0 FBADRM CCCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@H](COC)OC ZINC000853204408 661314291 /nfs/dbraw/zinc/31/42/91/661314291.db2.gz OSLBFLLVUSEBCE-RYUDHWBXSA-N -1 0 350.437 -0.115 20 0 FBADRM CCCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC ZINC000853204409 661314183 /nfs/dbraw/zinc/31/41/83/661314183.db2.gz OSLBFLLVUSEBCE-VXGBXAGGSA-N -1 0 350.437 -0.115 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)Cn1c(C)c(C)sc1=O)OC ZINC000853204411 661314288 /nfs/dbraw/zinc/31/42/88/661314288.db2.gz OSVSLKBNRDIKGW-JTQLQIEISA-N -1 0 352.434 -0.366 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)Cn1c(C)c(C)sc1=O)OC ZINC000853204412 661314329 /nfs/dbraw/zinc/31/43/29/661314329.db2.gz OSVSLKBNRDIKGW-SNVBAGLBSA-N -1 0 352.434 -0.366 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)OC ZINC000853204778 661314294 /nfs/dbraw/zinc/31/42/94/661314294.db2.gz UJOTTWXEYYHMCM-CHWSQXEVSA-N -1 0 362.448 -0.258 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)OC ZINC000853204779 661314235 /nfs/dbraw/zinc/31/42/35/661314235.db2.gz UJOTTWXEYYHMCM-OLZOCXBDSA-N -1 0 362.448 -0.258 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)C2CC2)C1)OC ZINC000853204780 661314191 /nfs/dbraw/zinc/31/41/91/661314191.db2.gz UJOTTWXEYYHMCM-QWHCGFSZSA-N -1 0 362.448 -0.258 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)C2CC2)C1)OC ZINC000853204781 661314284 /nfs/dbraw/zinc/31/42/84/661314284.db2.gz UJOTTWXEYYHMCM-STQMWFEESA-N -1 0 362.448 -0.258 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CN1Cc2ccccc2C1=O)OC ZINC000853204863 661314333 /nfs/dbraw/zinc/31/43/33/661314333.db2.gz VWFDUJKISNEWPJ-GFCCVEGCSA-N -1 0 356.400 -0.250 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CN1Cc2ccccc2C1=O)OC ZINC000853204864 661314311 /nfs/dbraw/zinc/31/43/11/661314311.db2.gz VWFDUJKISNEWPJ-LBPRGKRZSA-N -1 0 356.400 -0.250 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(C)C)OC ZINC000853204903 661314277 /nfs/dbraw/zinc/31/42/77/661314277.db2.gz WOGYMFQHZPQLNS-NEPJUHHUSA-N -1 0 350.437 -0.259 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(C)C)OC ZINC000853204904 661314269 /nfs/dbraw/zinc/31/42/69/661314269.db2.gz WOGYMFQHZPQLNS-NWDGAFQWSA-N -1 0 350.437 -0.259 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(C)C)OC ZINC000853204905 661314199 /nfs/dbraw/zinc/31/41/99/661314199.db2.gz WOGYMFQHZPQLNS-RYUDHWBXSA-N -1 0 350.437 -0.259 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(C)C)OC ZINC000853204906 661314232 /nfs/dbraw/zinc/31/42/32/661314232.db2.gz WOGYMFQHZPQLNS-VXGBXAGGSA-N -1 0 350.437 -0.259 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnc2)cc1)OC ZINC000853205028 661314464 /nfs/dbraw/zinc/31/44/64/661314464.db2.gz YGHMNHNLUNATMO-CYBMUJFWSA-N -1 0 354.388 -0.012 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnc2)cc1)OC ZINC000853205029 661314558 /nfs/dbraw/zinc/31/45/58/661314558.db2.gz YGHMNHNLUNATMO-ZDUSSCGKSA-N -1 0 354.388 -0.012 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cnn(C)c1Br)OC ZINC000853205464 661314560 /nfs/dbraw/zinc/31/45/60/661314560.db2.gz FRNBVIYZFCTQHV-SSDOTTSWSA-N -1 0 370.225 -0.096 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cnn(C)c1Br)OC ZINC000853205465 661314457 /nfs/dbraw/zinc/31/44/57/661314457.db2.gz FRNBVIYZFCTQHV-ZETCQYMHSA-N -1 0 370.225 -0.096 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cc(OC(F)F)n(C)n1)OC ZINC000853205551 661314564 /nfs/dbraw/zinc/31/45/64/661314564.db2.gz HHWAFRQWWPZMHJ-SSDOTTSWSA-N -1 0 357.335 -0.258 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cc(OC(F)F)n(C)n1)OC ZINC000853205552 661314539 /nfs/dbraw/zinc/31/45/39/661314539.db2.gz HHWAFRQWWPZMHJ-ZETCQYMHSA-N -1 0 357.335 -0.258 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cnc2c(C)cccn2c1=O)OC ZINC000853205590 661314496 /nfs/dbraw/zinc/31/44/96/661314496.db2.gz FUCUQKZOAHWCKK-LLVKDONJSA-N -1 0 369.399 -0.276 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cnc2c(C)cccn2c1=O)OC ZINC000853205591 661314448 /nfs/dbraw/zinc/31/44/48/661314448.db2.gz FUCUQKZOAHWCKK-NSHDSACASA-N -1 0 369.399 -0.276 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cccc2c1oc(=O)n2C)OC ZINC000853205622 661314542 /nfs/dbraw/zinc/31/45/42/661314542.db2.gz GFQMNSYILHKPGH-SECBINFHSA-N -1 0 358.372 -0.148 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cccc2c1oc(=O)n2C)OC ZINC000853205623 661314474 /nfs/dbraw/zinc/31/44/74/661314474.db2.gz GFQMNSYILHKPGH-VIFPVBQESA-N -1 0 358.372 -0.148 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cccc(-n2ccnn2)c1)OC ZINC000853205649 661314427 /nfs/dbraw/zinc/31/44/27/661314427.db2.gz GZSVYYARXCXBTN-CYBMUJFWSA-N -1 0 354.388 -0.012 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cccc(-n2ccnn2)c1)OC ZINC000853205650 661314416 /nfs/dbraw/zinc/31/44/16/661314416.db2.gz GZSVYYARXCXBTN-ZDUSSCGKSA-N -1 0 354.388 -0.012 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1-n1cccn1)OC ZINC000853205664 661314484 /nfs/dbraw/zinc/31/44/84/661314484.db2.gz HOAVGJQMHGQEMZ-LLVKDONJSA-N -1 0 371.419 -0.365 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1-n1cccn1)OC ZINC000853205665 661314454 /nfs/dbraw/zinc/31/44/54/661314454.db2.gz HOAVGJQMHGQEMZ-NSHDSACASA-N -1 0 371.419 -0.365 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(OC)cc1)OC ZINC000853205670 661314507 /nfs/dbraw/zinc/31/45/07/661314507.db2.gz HPWBJWPPLOXIGJ-CYBMUJFWSA-N -1 0 374.415 -0.468 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(OC)cc1)OC ZINC000853205671 661314421 /nfs/dbraw/zinc/31/44/21/661314421.db2.gz HPWBJWPPLOXIGJ-ZDUSSCGKSA-N -1 0 374.415 -0.468 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccnc(O[C@@H]2CCOC2)c1)OC ZINC000853205694 661314501 /nfs/dbraw/zinc/31/45/01/661314501.db2.gz IGKYSCUXAOOUEH-CHWSQXEVSA-N -1 0 374.415 -0.030 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccnc(O[C@@H]2CCOC2)c1)OC ZINC000853205695 661314423 /nfs/dbraw/zinc/31/44/23/661314423.db2.gz IGKYSCUXAOOUEH-OLZOCXBDSA-N -1 0 374.415 -0.030 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccnc(O[C@H]2CCOC2)c1)OC ZINC000853205696 661314471 /nfs/dbraw/zinc/31/44/71/661314471.db2.gz IGKYSCUXAOOUEH-QWHCGFSZSA-N -1 0 374.415 -0.030 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccnc(O[C@H]2CCOC2)c1)OC ZINC000853205697 661314550 /nfs/dbraw/zinc/31/45/50/661314550.db2.gz IGKYSCUXAOOUEH-STQMWFEESA-N -1 0 374.415 -0.030 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C1CN(C(=O)OC(C)(C)C)C1)OC ZINC000853205712 661314413 /nfs/dbraw/zinc/31/44/13/661314413.db2.gz IPSFZWFHMJTEJP-LLVKDONJSA-N -1 0 366.436 -0.039 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C1CN(C(=O)OC(C)(C)C)C1)OC ZINC000853205713 661314518 /nfs/dbraw/zinc/31/45/18/661314518.db2.gz IPSFZWFHMJTEJP-NSHDSACASA-N -1 0 366.436 -0.039 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H](C)n1nnnc1C(C)(C)C)OC ZINC000853205883 661314439 /nfs/dbraw/zinc/31/44/39/661314439.db2.gz KNZXNMXQMTUNIK-NXEZZACHSA-N -1 0 363.440 -0.361 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H](C)n1nnnc1C(C)(C)C)OC ZINC000853205884 661314431 /nfs/dbraw/zinc/31/44/31/661314431.db2.gz KNZXNMXQMTUNIK-UWVGGRQHSA-N -1 0 363.440 -0.361 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H](C)n1nnnc1C(C)(C)C)OC ZINC000853205885 661314515 /nfs/dbraw/zinc/31/45/15/661314515.db2.gz KNZXNMXQMTUNIK-VHSXEESVSA-N -1 0 363.440 -0.361 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H](C)n1nnnc1C(C)(C)C)OC ZINC000853205886 661314555 /nfs/dbraw/zinc/31/45/55/661314555.db2.gz KNZXNMXQMTUNIK-ZJUUUORDSA-N -1 0 363.440 -0.361 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)nc1)OC ZINC000853205929 661314509 /nfs/dbraw/zinc/31/45/09/661314509.db2.gz LGAGLWGONOEYGT-GFCCVEGCSA-N -1 0 354.388 -0.012 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)nc1)OC ZINC000853205930 661314521 /nfs/dbraw/zinc/31/45/21/661314521.db2.gz LGAGLWGONOEYGT-LBPRGKRZSA-N -1 0 354.388 -0.012 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnn2)cc1)OC ZINC000853205973 661314452 /nfs/dbraw/zinc/31/44/52/661314452.db2.gz JGRSQFBNPGNADI-CYBMUJFWSA-N -1 0 354.388 -0.012 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnn2)cc1)OC ZINC000853205974 661314419 /nfs/dbraw/zinc/31/44/19/661314419.db2.gz JGRSQFBNPGNADI-ZDUSSCGKSA-N -1 0 354.388 -0.012 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1csc(S(C)(=O)=O)c1)OC ZINC000853205975 661314535 /nfs/dbraw/zinc/31/45/35/661314535.db2.gz JHAWJQBSGOLRCR-SECBINFHSA-N -1 0 371.458 -0.127 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1csc(S(C)(=O)=O)c1)OC ZINC000853205976 661314566 /nfs/dbraw/zinc/31/45/66/661314566.db2.gz JHAWJQBSGOLRCR-VIFPVBQESA-N -1 0 371.458 -0.127 20 0 FBADRM COCCOc1ncccc1C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC ZINC000853205995 661314548 /nfs/dbraw/zinc/31/45/48/661314548.db2.gz JRXUDECHTQHPIJ-LLVKDONJSA-N -1 0 362.404 -0.172 20 0 FBADRM COCCOc1ncccc1C(=O)[N-]S(=O)(=O)C[C@H](COC)OC ZINC000853205996 661314482 /nfs/dbraw/zinc/31/44/82/661314482.db2.gz JRXUDECHTQHPIJ-NSHDSACASA-N -1 0 362.404 -0.172 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cncc(N2CCOCC2)c1)OC ZINC000853206017 661314467 /nfs/dbraw/zinc/31/44/67/661314467.db2.gz KEHCAWRMBVSQHB-AWEZNQCLSA-N -1 0 373.431 -0.361 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cncc(N2CCOCC2)c1)OC ZINC000853206018 661314493 /nfs/dbraw/zinc/31/44/93/661314493.db2.gz KEHCAWRMBVSQHB-CQSZACIVSA-N -1 0 373.431 -0.361 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cnc2c(cnn2C)c1OC)OC ZINC000853206139 661314526 /nfs/dbraw/zinc/31/45/26/661314526.db2.gz MXYSXUIJCQJCHV-SECBINFHSA-N -1 0 372.403 -0.302 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cnc2c(cnn2C)c1OC)OC ZINC000853206140 661314771 /nfs/dbraw/zinc/31/47/71/661314771.db2.gz MXYSXUIJCQJCHV-VIFPVBQESA-N -1 0 372.403 -0.302 20 0 FBADRM COCCOc1cc(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)ccn1 ZINC000853206372 661314735 /nfs/dbraw/zinc/31/47/35/661314735.db2.gz MZMUIGSTEVHHLH-GFCCVEGCSA-N -1 0 362.404 -0.172 20 0 FBADRM COCCOc1cc(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)ccn1 ZINC000853206373 661314717 /nfs/dbraw/zinc/31/47/17/661314717.db2.gz MZMUIGSTEVHHLH-LBPRGKRZSA-N -1 0 362.404 -0.172 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CCCNC(=O)c1cccnc1)OC ZINC000853206378 661314737 /nfs/dbraw/zinc/31/47/37/661314737.db2.gz NEYXHNOHLWBGDB-CYBMUJFWSA-N -1 0 373.431 -0.301 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CCCNC(=O)c1cccnc1)OC ZINC000853206379 661314713 /nfs/dbraw/zinc/31/47/13/661314713.db2.gz NEYXHNOHLWBGDB-ZDUSSCGKSA-N -1 0 373.431 -0.301 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C1=NN(CC(C)C)C(=O)CC1)OC ZINC000853206528 661314739 /nfs/dbraw/zinc/31/47/39/661314739.db2.gz RLBVYMLYOVBNTH-LLVKDONJSA-N -1 0 363.436 -0.272 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C1=NN(CC(C)C)C(=O)CC1)OC ZINC000853206529 661314696 /nfs/dbraw/zinc/31/46/96/661314696.db2.gz RLBVYMLYOVBNTH-NSHDSACASA-N -1 0 363.436 -0.272 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(F)cc1)OC ZINC000853206730 661314722 /nfs/dbraw/zinc/31/47/22/661314722.db2.gz UPFNQSVDRGMHMU-GFCCVEGCSA-N -1 0 362.379 -0.337 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(F)cc1)OC ZINC000853206731 661314775 /nfs/dbraw/zinc/31/47/75/661314775.db2.gz UPFNQSVDRGMHMU-LBPRGKRZSA-N -1 0 362.379 -0.337 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccnc(-n2ccnc2)c1)OC ZINC000853206756 661314755 /nfs/dbraw/zinc/31/47/55/661314755.db2.gz VKGFSYKBAIKIFL-GFCCVEGCSA-N -1 0 354.388 -0.012 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccnc(-n2ccnc2)c1)OC ZINC000853206757 661314683 /nfs/dbraw/zinc/31/46/83/661314683.db2.gz VKGFSYKBAIKIFL-LBPRGKRZSA-N -1 0 354.388 -0.012 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)cs1)OC ZINC000853206764 661314747 /nfs/dbraw/zinc/31/47/47/661314747.db2.gz RHTSNKUNZPGPLB-MRVPVSSYSA-N -1 0 371.458 -0.127 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)cs1)OC ZINC000853206765 661314668 /nfs/dbraw/zinc/31/46/68/661314668.db2.gz RHTSNKUNZPGPLB-QMMMGPOBSA-N -1 0 371.458 -0.127 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ncn(-c2ccccc2)n1)OC ZINC000853206786 661314704 /nfs/dbraw/zinc/31/47/04/661314704.db2.gz RRZPIVNKJQHABE-GFCCVEGCSA-N -1 0 354.388 -0.012 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ncn(-c2ccccc2)n1)OC ZINC000853206787 661314744 /nfs/dbraw/zinc/31/47/44/661314744.db2.gz RRZPIVNKJQHABE-LBPRGKRZSA-N -1 0 354.388 -0.012 20 0 FBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)CCOCC1 ZINC000853207298 661314763 /nfs/dbraw/zinc/31/47/63/661314763.db2.gz AKIYNXVQHOTOEA-LLVKDONJSA-N -1 0 367.420 -0.546 20 0 FBADRM CCOC(=O)C1(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)CCOCC1 ZINC000853207300 661314729 /nfs/dbraw/zinc/31/47/29/661314729.db2.gz AKIYNXVQHOTOEA-NSHDSACASA-N -1 0 367.420 -0.546 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc2[nH]c(=O)n(C)c2c1)OC ZINC000853207411 661314663 /nfs/dbraw/zinc/31/46/63/661314663.db2.gz ZESPCZXNAQKDAL-JTQLQIEISA-N -1 0 357.388 0.000 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc2[nH]c(=O)n(C)c2c1)OC ZINC000853207412 661314724 /nfs/dbraw/zinc/31/47/24/661314724.db2.gz ZESPCZXNAQKDAL-SNVBAGLBSA-N -1 0 357.388 0.000 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cnc(OCC2CC2)cn1)OC ZINC000853207495 661314731 /nfs/dbraw/zinc/31/47/31/661314731.db2.gz CXHJEKSBKSSPFY-LLVKDONJSA-N -1 0 359.404 -0.014 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cnc(OCC2CC2)cn1)OC ZINC000853207496 661314701 /nfs/dbraw/zinc/31/47/01/661314701.db2.gz CXHJEKSBKSSPFY-NSHDSACASA-N -1 0 359.404 -0.014 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CN1CCc2ccccc2C1=O)OC ZINC000853207648 661314753 /nfs/dbraw/zinc/31/47/53/661314753.db2.gz GJOWRVQDRRAFPH-CYBMUJFWSA-N -1 0 370.427 -0.208 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CN1CCc2ccccc2C1=O)OC ZINC000853207649 661314677 /nfs/dbraw/zinc/31/46/77/661314677.db2.gz GJOWRVQDRRAFPH-ZDUSSCGKSA-N -1 0 370.427 -0.208 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CCN(CC(F)(F)F)C1)OC ZINC000853207673 661314768 /nfs/dbraw/zinc/31/47/68/661314768.db2.gz GXJKFKPIZHQQMD-NXEZZACHSA-N -1 0 362.370 -0.022 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H]1CCN(CC(F)(F)F)C1)OC ZINC000853207674 661314759 /nfs/dbraw/zinc/31/47/59/661314759.db2.gz GXJKFKPIZHQQMD-UWVGGRQHSA-N -1 0 362.370 -0.022 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1CCN(CC(F)(F)F)C1)OC ZINC000853207675 661314733 /nfs/dbraw/zinc/31/47/33/661314733.db2.gz GXJKFKPIZHQQMD-VHSXEESVSA-N -1 0 362.370 -0.022 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CCN(CC(F)(F)F)C1)OC ZINC000853207676 661314692 /nfs/dbraw/zinc/31/46/92/661314692.db2.gz GXJKFKPIZHQQMD-ZJUUUORDSA-N -1 0 362.370 -0.022 20 0 FBADRM COCCOc1cncc(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)c1 ZINC000853207792 661314689 /nfs/dbraw/zinc/31/46/89/661314689.db2.gz JXUDZILKHCKPDM-CYBMUJFWSA-N -1 0 362.404 -0.172 20 0 FBADRM COCCOc1cncc(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)c1 ZINC000853207793 661314757 /nfs/dbraw/zinc/31/47/57/661314757.db2.gz JXUDZILKHCKPDM-ZDUSSCGKSA-N -1 0 362.404 -0.172 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H](C)N(C)CC(F)(F)F)OC ZINC000853207815 661314765 /nfs/dbraw/zinc/31/47/65/661314765.db2.gz KNLZRTSIBNXDPY-BDAKNGLRSA-N -1 0 350.359 -0.024 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H](C)N(C)CC(F)(F)F)OC ZINC000853207816 661314746 /nfs/dbraw/zinc/31/47/46/661314746.db2.gz KNLZRTSIBNXDPY-DTWKUNHWSA-N -1 0 350.359 -0.024 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H](C)N(C)CC(F)(F)F)OC ZINC000853207817 661314673 /nfs/dbraw/zinc/31/46/73/661314673.db2.gz KNLZRTSIBNXDPY-IUCAKERBSA-N -1 0 350.359 -0.024 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H](C)N(C)CC(F)(F)F)OC ZINC000853207818 661314761 /nfs/dbraw/zinc/31/47/61/661314761.db2.gz KNLZRTSIBNXDPY-RKDXNWHRSA-N -1 0 350.359 -0.024 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cncc(-n2ccnn2)c1)OC ZINC000853207889 661314709 /nfs/dbraw/zinc/31/47/09/661314709.db2.gz MKKHWWAKANNVCK-GFCCVEGCSA-N -1 0 355.376 -0.617 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cncc(-n2ccnn2)c1)OC ZINC000853207890 661314720 /nfs/dbraw/zinc/31/47/20/661314720.db2.gz MKKHWWAKANNVCK-LBPRGKRZSA-N -1 0 355.376 -0.617 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)F)OC ZINC000853207987 661314827 /nfs/dbraw/zinc/31/48/27/661314827.db2.gz ONCQIYAYXKBGLE-NXEZZACHSA-N -1 0 360.379 -0.940 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)F)OC ZINC000853207988 661314950 /nfs/dbraw/zinc/31/49/50/661314950.db2.gz ONCQIYAYXKBGLE-UWVGGRQHSA-N -1 0 360.379 -0.940 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)F)OC ZINC000853207989 661314892 /nfs/dbraw/zinc/31/48/92/661314892.db2.gz ONCQIYAYXKBGLE-VHSXEESVSA-N -1 0 360.379 -0.940 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)F)OC ZINC000853207990 661314890 /nfs/dbraw/zinc/31/48/90/661314890.db2.gz ONCQIYAYXKBGLE-ZJUUUORDSA-N -1 0 360.379 -0.940 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cc(Br)nn1C)OC ZINC000853208242 661314917 /nfs/dbraw/zinc/31/49/17/661314917.db2.gz SCJJJGNTJYPKRP-SSDOTTSWSA-N -1 0 370.225 -0.096 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cc(Br)nn1C)OC ZINC000853208243 661314849 /nfs/dbraw/zinc/31/48/49/661314849.db2.gz SCJJJGNTJYPKRP-ZETCQYMHSA-N -1 0 370.225 -0.096 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@]1(c2ccccc2)CNC(=O)C1)OC ZINC000853208282 661314875 /nfs/dbraw/zinc/31/48/75/661314875.db2.gz DDCZDXIPFQIFTA-BBRMVZONSA-N -1 0 370.427 -0.448 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@]1(c2ccccc2)CNC(=O)C1)OC ZINC000853208283 661314973 /nfs/dbraw/zinc/31/49/73/661314973.db2.gz DDCZDXIPFQIFTA-CJNGLKHVSA-N -1 0 370.427 -0.448 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@]1(c2ccccc2)CNC(=O)C1)OC ZINC000853208284 661314952 /nfs/dbraw/zinc/31/49/52/661314952.db2.gz DDCZDXIPFQIFTA-CZUORRHYSA-N -1 0 370.427 -0.448 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@]1(c2ccccc2)CNC(=O)C1)OC ZINC000853208285 661314886 /nfs/dbraw/zinc/31/48/86/661314886.db2.gz DDCZDXIPFQIFTA-XJKSGUPXSA-N -1 0 370.427 -0.448 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H](CC1CCC1)NC(C)=O)OC ZINC000853208544 661314928 /nfs/dbraw/zinc/31/49/28/661314928.db2.gz VFISXJHTLOGUDB-CHWSQXEVSA-N -1 0 350.437 -0.211 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H](CC1CCC1)NC(C)=O)OC ZINC000853208545 661314832 /nfs/dbraw/zinc/31/48/32/661314832.db2.gz VFISXJHTLOGUDB-QWHCGFSZSA-N -1 0 350.437 -0.211 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(-n2nnnc2C)cc1)OC ZINC000853208589 661314873 /nfs/dbraw/zinc/31/48/73/661314873.db2.gz HJJJBXKFGQTXAT-CYBMUJFWSA-N -1 0 369.403 -0.308 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(-n2nnnc2C)cc1)OC ZINC000853208590 661314856 /nfs/dbraw/zinc/31/48/56/661314856.db2.gz HJJJBXKFGQTXAT-ZDUSSCGKSA-N -1 0 369.403 -0.308 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCCCC1)OC ZINC000853208615 661314956 /nfs/dbraw/zinc/31/49/56/661314956.db2.gz HZLUUKSVJFBBLG-LLVKDONJSA-N -1 0 361.424 -0.560 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCCCC1)OC ZINC000853208618 661314969 /nfs/dbraw/zinc/31/49/69/661314969.db2.gz HZLUUKSVJFBBLG-NSHDSACASA-N -1 0 361.424 -0.560 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CN(C)C(=O)c2ccccc21)OC ZINC000853208703 661314847 /nfs/dbraw/zinc/31/48/47/661314847.db2.gz WVCWMHBWVRHWFB-BXUZGUMPSA-N -1 0 370.427 -0.037 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H]1CN(C)C(=O)c2ccccc21)OC ZINC000853208706 661314978 /nfs/dbraw/zinc/31/49/78/661314978.db2.gz WVCWMHBWVRHWFB-FZMZJTMJSA-N -1 0 370.427 -0.037 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1CN(C)C(=O)c2ccccc21)OC ZINC000853208709 661314853 /nfs/dbraw/zinc/31/48/53/661314853.db2.gz WVCWMHBWVRHWFB-RISCZKNCSA-N -1 0 370.427 -0.037 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CN(C)C(=O)c2ccccc21)OC ZINC000853208712 661314960 /nfs/dbraw/zinc/31/49/60/661314960.db2.gz WVCWMHBWVRHWFB-SMDDNHRTSA-N -1 0 370.427 -0.037 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)s1)OC ZINC000853208950 661314829 /nfs/dbraw/zinc/31/48/29/661314829.db2.gz JMFNZGMJUYQULR-MRVPVSSYSA-N -1 0 371.458 -0.127 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)s1)OC ZINC000853208952 661314974 /nfs/dbraw/zinc/31/49/74/661314974.db2.gz JMFNZGMJUYQULR-QMMMGPOBSA-N -1 0 371.458 -0.127 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)OC)C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC ZINC000853208961 661314870 /nfs/dbraw/zinc/31/48/70/661314870.db2.gz FSVMGLOWUVDHFX-AXFHLTTASA-N -1 0 354.425 -0.136 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)OC)C(=O)[N-]S(=O)(=O)C[C@H](COC)OC ZINC000853208964 661314895 /nfs/dbraw/zinc/31/48/95/661314895.db2.gz FSVMGLOWUVDHFX-DCAQKATOSA-N -1 0 354.425 -0.136 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CCc1ccccc1C(N)=O)OC ZINC000853209047 661314837 /nfs/dbraw/zinc/31/48/37/661314837.db2.gz YIRIGBCGJPVLHC-GFCCVEGCSA-N -1 0 358.416 -0.175 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CCc1ccccc1C(N)=O)OC ZINC000853209056 661314935 /nfs/dbraw/zinc/31/49/35/661314935.db2.gz YIRIGBCGJPVLHC-LBPRGKRZSA-N -1 0 358.416 -0.175 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)OC ZINC000853209266 661314862 /nfs/dbraw/zinc/31/48/62/661314862.db2.gz INJTZPZQUANXLD-SDDRHHMPSA-N -1 0 374.415 -0.955 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)OC ZINC000853209269 661314913 /nfs/dbraw/zinc/31/49/13/661314913.db2.gz INJTZPZQUANXLD-UTUOFQBUSA-N -1 0 374.415 -0.955 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1c(Br)cnn1C)OC ZINC000853209522 661314865 /nfs/dbraw/zinc/31/48/65/661314865.db2.gz LTDJENXUTIJTLG-SSDOTTSWSA-N -1 0 370.225 -0.096 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1c(Br)cnn1C)OC ZINC000853209523 661314983 /nfs/dbraw/zinc/31/49/83/661314983.db2.gz LTDJENXUTIJTLG-ZETCQYMHSA-N -1 0 370.225 -0.096 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccn(CCn2cccn2)n1)OC ZINC000853209559 661314944 /nfs/dbraw/zinc/31/49/44/661314944.db2.gz MDHLADRAOQXGJK-GFCCVEGCSA-N -1 0 371.419 -0.499 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccn(CCn2cccn2)n1)OC ZINC000853209561 661314938 /nfs/dbraw/zinc/31/49/38/661314938.db2.gz MDHLADRAOQXGJK-LBPRGKRZSA-N -1 0 371.419 -0.499 20 0 FBADRM CCOC(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)nc1 ZINC000853209661 661314909 /nfs/dbraw/zinc/31/49/09/661314909.db2.gz MRGOBELGSIEJQP-LLVKDONJSA-N -1 0 360.388 -0.021 20 0 FBADRM CCOC(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)nc1 ZINC000853209662 661314943 /nfs/dbraw/zinc/31/49/43/661314943.db2.gz MRGOBELGSIEJQP-NSHDSACASA-N -1 0 360.388 -0.021 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1c2n(c(=O)n1C)CCCC2)OC ZINC000853209688 661314924 /nfs/dbraw/zinc/31/49/24/661314924.db2.gz MXCIIAXFXGXDNH-JTQLQIEISA-N -1 0 361.420 -0.756 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1c2n(c(=O)n1C)CCCC2)OC ZINC000853209691 661314921 /nfs/dbraw/zinc/31/49/21/661314921.db2.gz MXCIIAXFXGXDNH-SNVBAGLBSA-N -1 0 361.420 -0.756 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1nn(C)cc1Br)OC ZINC000853209810 661314963 /nfs/dbraw/zinc/31/49/63/661314963.db2.gz NUIGYCKFKXABTO-SSDOTTSWSA-N -1 0 370.225 -0.096 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1nn(C)cc1Br)OC ZINC000853209811 661315053 /nfs/dbraw/zinc/31/50/53/661315053.db2.gz NUIGYCKFKXABTO-ZETCQYMHSA-N -1 0 370.225 -0.096 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cc(Br)n(C)n1)OC ZINC000853209915 661315133 /nfs/dbraw/zinc/31/51/33/661315133.db2.gz OLUUZLWCFAHDKK-SSDOTTSWSA-N -1 0 370.225 -0.096 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cc(Br)n(C)n1)OC ZINC000853209917 661315170 /nfs/dbraw/zinc/31/51/70/661315170.db2.gz OLUUZLWCFAHDKK-ZETCQYMHSA-N -1 0 370.225 -0.096 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnc2)cc1)OC ZINC000853209992 661315110 /nfs/dbraw/zinc/31/51/10/661315110.db2.gz VLEPLTRPMQNNDH-AWEZNQCLSA-N -1 0 368.415 -0.083 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnc2)cc1)OC ZINC000853209994 661315195 /nfs/dbraw/zinc/31/51/95/661315195.db2.gz VLEPLTRPMQNNDH-CQSZACIVSA-N -1 0 368.415 -0.083 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cn(-c2cccnc2)nn1)OC ZINC000853210030 661315251 /nfs/dbraw/zinc/31/52/51/661315251.db2.gz QJTLYTRAARPVIW-LLVKDONJSA-N -1 0 355.376 -0.617 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cn(-c2cccnc2)nn1)OC ZINC000853210031 661315107 /nfs/dbraw/zinc/31/51/07/661315107.db2.gz QJTLYTRAARPVIW-NSHDSACASA-N -1 0 355.376 -0.617 20 0 FBADRM CCOC(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC)on1 ZINC000853210475 661315047 /nfs/dbraw/zinc/31/50/47/661315047.db2.gz YAKZXZDIEWKZKB-MRVPVSSYSA-N -1 0 350.349 -0.428 20 0 FBADRM CCOC(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@H](COC)OC)on1 ZINC000853210476 661315102 /nfs/dbraw/zinc/31/51/02/661315102.db2.gz YAKZXZDIEWKZKB-QMMMGPOBSA-N -1 0 350.349 -0.428 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CCc1ccc(C(N)=O)cc1)OC ZINC000853210608 661315140 /nfs/dbraw/zinc/31/51/40/661315140.db2.gz ZTFQZRBJGRGPBT-CYBMUJFWSA-N -1 0 358.416 -0.175 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CCc1ccc(C(N)=O)cc1)OC ZINC000853210609 661315192 /nfs/dbraw/zinc/31/51/92/661315192.db2.gz ZTFQZRBJGRGPBT-ZDUSSCGKSA-N -1 0 358.416 -0.175 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21)OC ZINC000853210854 661315161 /nfs/dbraw/zinc/31/51/61/661315161.db2.gz HXJNGZSBGJGIEO-FDYHWXHSSA-N -1 0 362.448 -0.211 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12)OC ZINC000853210855 661315064 /nfs/dbraw/zinc/31/50/64/661315064.db2.gz HXJNGZSBGJGIEO-LPWJVIDDSA-N -1 0 362.448 -0.211 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12)OC ZINC000853210856 661315144 /nfs/dbraw/zinc/31/51/44/661315144.db2.gz HXJNGZSBGJGIEO-XQHKEYJVSA-N -1 0 362.448 -0.211 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21)OC ZINC000853210857 661315199 /nfs/dbraw/zinc/31/51/99/661315199.db2.gz HXJNGZSBGJGIEO-YVECIDJPSA-N -1 0 362.448 -0.211 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@](C)(OC)C(=O)OC(C)(C)C)OC ZINC000853211138 661315058 /nfs/dbraw/zinc/31/50/58/661315058.db2.gz OMQBEWZFJRNJCB-HZMBPMFUSA-N -1 0 369.436 -0.159 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@](C)(OC)C(=O)OC(C)(C)C)OC ZINC000853211139 661315174 /nfs/dbraw/zinc/31/51/74/661315174.db2.gz OMQBEWZFJRNJCB-IINYFYTJSA-N -1 0 369.436 -0.159 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@](C)(OC)C(=O)OC(C)(C)C)OC ZINC000853211140 661315238 /nfs/dbraw/zinc/31/52/38/661315238.db2.gz OMQBEWZFJRNJCB-QMTHXVAHSA-N -1 0 369.436 -0.159 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@](C)(OC)C(=O)OC(C)(C)C)OC ZINC000853211141 661315120 /nfs/dbraw/zinc/31/51/20/661315120.db2.gz OMQBEWZFJRNJCB-YGRLFVJLSA-N -1 0 369.436 -0.159 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C1CCN(C(=O)OC)CC1)OC ZINC000853211364 661315096 /nfs/dbraw/zinc/31/50/96/661315096.db2.gz UAWMCRBKNHMHAL-LLVKDONJSA-N -1 0 352.409 -0.428 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C1CCN(C(=O)OC)CC1)OC ZINC000853211365 661315254 /nfs/dbraw/zinc/31/52/54/661315254.db2.gz UAWMCRBKNHMHAL-NSHDSACASA-N -1 0 352.409 -0.428 20 0 FBADRM CCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000853231655 661315147 /nfs/dbraw/zinc/31/51/47/661315147.db2.gz QPNSMOLSAOAKCQ-UHFFFAOYSA-N -1 0 366.417 -0.058 20 0 FBADRM COC(=O)N1CCC(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000853345025 661315719 /nfs/dbraw/zinc/31/57/19/661315719.db2.gz ZCOAETJFAPNTDL-GFCCVEGCSA-N -1 0 355.391 -0.050 20 0 FBADRM COC(=O)N1CCC(NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000853345027 661315739 /nfs/dbraw/zinc/31/57/39/661315739.db2.gz ZCOAETJFAPNTDL-LBPRGKRZSA-N -1 0 355.391 -0.050 20 0 FBADRM CC(C)(C)S(=O)(=O)CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000853345486 661315728 /nfs/dbraw/zinc/31/57/28/661315728.db2.gz VVAVMNSSQOZICV-LLVKDONJSA-N -1 0 362.448 -0.067 20 0 FBADRM CC(C)(C)S(=O)(=O)CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000853345488 661315563 /nfs/dbraw/zinc/31/55/63/661315563.db2.gz VVAVMNSSQOZICV-NSHDSACASA-N -1 0 362.448 -0.067 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)NCCS(=O)(=O)CC1CC1)C1CCC1 ZINC000853346228 661315588 /nfs/dbraw/zinc/31/55/88/661315588.db2.gz UFBGZULTBQSSAB-GFCCVEGCSA-N -1 0 360.432 -0.456 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)CC1CC1)C1CCC1 ZINC000853346229 661315748 /nfs/dbraw/zinc/31/57/48/661315748.db2.gz UFBGZULTBQSSAB-LBPRGKRZSA-N -1 0 360.432 -0.456 20 0 FBADRM CCOC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000853347201 661315775 /nfs/dbraw/zinc/31/57/75/661315775.db2.gz SDBDJVIYEFXLHA-NEPJUHHUSA-N -1 0 355.391 -0.050 20 0 FBADRM CCOC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000853347202 661315751 /nfs/dbraw/zinc/31/57/51/661315751.db2.gz SDBDJVIYEFXLHA-NWDGAFQWSA-N -1 0 355.391 -0.050 20 0 FBADRM CCOC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000853347203 661315591 /nfs/dbraw/zinc/31/55/91/661315591.db2.gz SDBDJVIYEFXLHA-RYUDHWBXSA-N -1 0 355.391 -0.050 20 0 FBADRM CCOC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000853347204 661315596 /nfs/dbraw/zinc/31/55/96/661315596.db2.gz SDBDJVIYEFXLHA-VXGBXAGGSA-N -1 0 355.391 -0.050 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1)C1CCC1 ZINC000853348173 661315763 /nfs/dbraw/zinc/31/57/63/661315763.db2.gz BZLYPUAXYCUNMH-NEPJUHHUSA-N -1 0 353.375 -0.297 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1)C1CCC1 ZINC000853348174 661315916 /nfs/dbraw/zinc/31/59/16/661315916.db2.gz BZLYPUAXYCUNMH-NWDGAFQWSA-N -1 0 353.375 -0.297 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1)C1CCC1 ZINC000853348175 661315863 /nfs/dbraw/zinc/31/58/63/661315863.db2.gz BZLYPUAXYCUNMH-RYUDHWBXSA-N -1 0 353.375 -0.297 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1)C1CCC1 ZINC000853348176 661315840 /nfs/dbraw/zinc/31/58/40/661315840.db2.gz BZLYPUAXYCUNMH-VXGBXAGGSA-N -1 0 353.375 -0.297 20 0 FBADRM CS(=O)(=O)CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)C1CC1 ZINC000853350648 661315887 /nfs/dbraw/zinc/31/58/87/661315887.db2.gz MDEJIKDNJCRGBZ-GFCCVEGCSA-N -1 0 360.432 -0.361 20 0 FBADRM CS(=O)(=O)CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)C1CC1 ZINC000853350649 661315848 /nfs/dbraw/zinc/31/58/48/661315848.db2.gz MDEJIKDNJCRGBZ-LBPRGKRZSA-N -1 0 360.432 -0.361 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CCC2(COC(=O)N2)CC1)C1CCC1 ZINC000853351251 661315880 /nfs/dbraw/zinc/31/58/80/661315880.db2.gz ZDDRTYXZQMLGRM-LLVKDONJSA-N -1 0 353.375 -0.296 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCC2(COC(=O)N2)CC1)C1CCC1 ZINC000853351252 661315854 /nfs/dbraw/zinc/31/58/54/661315854.db2.gz ZDDRTYXZQMLGRM-NSHDSACASA-N -1 0 353.375 -0.296 20 0 FBADRM CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000853351626 661315890 /nfs/dbraw/zinc/31/58/90/661315890.db2.gz NYUUIBMOYVNEBS-GFCCVEGCSA-N -1 0 362.448 -0.115 20 0 FBADRM CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000853351627 661315860 /nfs/dbraw/zinc/31/58/60/661315860.db2.gz NYUUIBMOYVNEBS-LBPRGKRZSA-N -1 0 362.448 -0.115 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1)C1CCC1 ZINC000853352583 661315897 /nfs/dbraw/zinc/31/58/97/661315897.db2.gz AFMKWHVQVSFHFF-UTUOFQBUSA-N -1 0 353.375 -0.440 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1)C1CCC1 ZINC000853352584 661315901 /nfs/dbraw/zinc/31/59/01/661315901.db2.gz AFMKWHVQVSFHFF-WOPDTQHZSA-N -1 0 353.375 -0.440 20 0 FBADRM O=C([O-])[C@H](CNC(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1)C1CCC1 ZINC000853353533 661315877 /nfs/dbraw/zinc/31/58/77/661315877.db2.gz DWEGJUPYFPKLQW-UTUOFQBUSA-N -1 0 353.375 -0.440 20 0 FBADRM O=C([O-])[C@@H](CNC(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1)C1CCC1 ZINC000853353534 661315866 /nfs/dbraw/zinc/31/58/66/661315866.db2.gz DWEGJUPYFPKLQW-WOPDTQHZSA-N -1 0 353.375 -0.440 20 0 FBADRM COC(=O)NC1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000853353935 661315884 /nfs/dbraw/zinc/31/58/84/661315884.db2.gz PVPPCBXECGJAAX-GFCCVEGCSA-N -1 0 355.391 -0.050 20 0 FBADRM COC(=O)NC1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000853353936 661315851 /nfs/dbraw/zinc/31/58/51/661315851.db2.gz PVPPCBXECGJAAX-LBPRGKRZSA-N -1 0 355.391 -0.050 20 0 FBADRM CCOC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000853353958 661315845 /nfs/dbraw/zinc/31/58/45/661315845.db2.gz QKJJEVSWGKFOEK-GFCCVEGCSA-N -1 0 355.391 -0.096 20 0 FBADRM CCOC(=O)N1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000853353959 661315893 /nfs/dbraw/zinc/31/58/93/661315893.db2.gz QKJJEVSWGKFOEK-LBPRGKRZSA-N -1 0 355.391 -0.096 20 0 FBADRM CC(C)NC(=O)OC1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000854474028 661324824 /nfs/dbraw/zinc/32/48/24/661324824.db2.gz VYLMLROKYUAZSR-UHFFFAOYSA-N -1 0 357.388 -0.001 20 0 FBADRM CC(C)S(=O)(=O)CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000854491592 661325163 /nfs/dbraw/zinc/32/51/63/661325163.db2.gz OAJXKKWAKDGSDG-UHFFFAOYSA-N -1 0 350.418 -0.407 20 0 FBADRM CC(C)NS(=O)(=O)c1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)ccc1F ZINC000854610189 661327265 /nfs/dbraw/zinc/32/72/65/661327265.db2.gz CHMGAFMRNXDLLJ-UHFFFAOYSA-N -1 0 359.339 -0.101 20 0 FBADRM CC(C)Oc1ccc(NS(=O)(=O)CC(=O)Nn2c(=O)[n-][nH]c2=O)cc1 ZINC000854610217 661327224 /nfs/dbraw/zinc/32/72/24/661327224.db2.gz DIGOXYUAYUFRJU-UHFFFAOYSA-N -1 0 371.375 -0.012 20 0 FBADRM COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854610275 661327295 /nfs/dbraw/zinc/32/72/95/661327295.db2.gz BFUBXYDYMORABJ-SSDOTTSWSA-N -1 0 359.339 -0.394 20 0 FBADRM COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854610276 661327334 /nfs/dbraw/zinc/32/73/34/661327334.db2.gz BFUBXYDYMORABJ-ZETCQYMHSA-N -1 0 359.339 -0.394 20 0 FBADRM C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854610458 661327292 /nfs/dbraw/zinc/32/72/92/661327292.db2.gz DPYZOHZUGWMVGG-LLVKDONJSA-N -1 0 363.252 -0.609 20 0 FBADRM C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854610459 661327211 /nfs/dbraw/zinc/32/72/11/661327211.db2.gz DPYZOHZUGWMVGG-NSHDSACASA-N -1 0 363.252 -0.609 20 0 FBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000854610607 661327279 /nfs/dbraw/zinc/32/72/79/661327279.db2.gz KGTQYMSLUHNIAR-UHFFFAOYSA-N -1 0 357.323 -0.347 20 0 FBADRM O=C(Nn1c(=O)[n-][nH]c1=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 ZINC000854610891 661327288 /nfs/dbraw/zinc/32/72/88/661327288.db2.gz MMWUNPTVLXMORA-UHFFFAOYSA-N -1 0 368.371 -0.218 20 0 FBADRM O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000854610910 661327246 /nfs/dbraw/zinc/32/72/46/661327246.db2.gz PATPPITWLWKCJG-UHFFFAOYSA-N -1 0 369.359 -0.906 20 0 FBADRM CC(C)(C)OC(=O)NC1CCN(CC(=O)Nn2c(=O)[n-][nH]c2=O)CC1 ZINC000854611108 661327323 /nfs/dbraw/zinc/32/73/23/661327323.db2.gz PNBFPIAIBGUNEE-UHFFFAOYSA-N -1 0 356.383 -0.252 20 0 FBADRM O=C(CCCNS(=O)(=O)c1ccc(F)cc1)Nn1c(=O)[n-][nH]c1=O ZINC000854611311 661327275 /nfs/dbraw/zinc/32/72/75/661327275.db2.gz XVQPBWXEHGLWFG-UHFFFAOYSA-N -1 0 359.339 -0.343 20 0 FBADRM Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)Nn2c(=O)[n-][nH]c2=O)c1C ZINC000854611318 661327316 /nfs/dbraw/zinc/32/73/16/661327316.db2.gz XYIZXQOAJQRWGS-UHFFFAOYSA-N -1 0 369.403 -0.028 20 0 FBADRM CSC[C@H](C(=O)Nn1c(=O)[n-][nH]c1=O)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000854611338 661327497 /nfs/dbraw/zinc/32/74/97/661327497.db2.gz YHMCIOLUWMXJQM-HRDYMLBCSA-N -1 0 369.403 -0.334 20 0 FBADRM CSC[C@H](C(=O)Nn1c(=O)[n-][nH]c1=O)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000854611339 661327425 /nfs/dbraw/zinc/32/74/25/661327425.db2.gz YHMCIOLUWMXJQM-IWSPIJDZSA-N -1 0 369.403 -0.334 20 0 FBADRM CSC[C@H](C(=O)Nn1c(=O)[n-][nH]c1=O)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000854611340 661327442 /nfs/dbraw/zinc/32/74/42/661327442.db2.gz YHMCIOLUWMXJQM-XHNCKOQMSA-N -1 0 369.403 -0.334 20 0 FBADRM CSC[C@@H](C(=O)Nn1c(=O)[n-][nH]c1=O)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000854611341 661327541 /nfs/dbraw/zinc/32/75/41/661327541.db2.gz YHMCIOLUWMXJQM-YIZRAAEISA-N -1 0 369.403 -0.334 20 0 FBADRM COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)Nn2c(=O)[n-][nH]c2=O)cc1 ZINC000854611380 661327506 /nfs/dbraw/zinc/32/75/06/661327506.db2.gz ZITXSAIPWBZMEU-MRVPVSSYSA-N -1 0 356.360 -0.122 20 0 FBADRM COc1ccc(S(=O)(=O)C[C@H](C)C(=O)Nn2c(=O)[n-][nH]c2=O)cc1 ZINC000854611385 661327455 /nfs/dbraw/zinc/32/74/55/661327455.db2.gz ZITXSAIPWBZMEU-QMMMGPOBSA-N -1 0 356.360 -0.122 20 0 FBADRM CCN(CC)S(=O)(=O)c1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)n(C)c1 ZINC000854611409 661327487 /nfs/dbraw/zinc/32/74/87/661327487.db2.gz ZOAMKUCMRFKESC-UHFFFAOYSA-N -1 0 358.380 -0.558 20 0 FBADRM O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)Nn1c(=O)[n-][nH]c1=O ZINC000854611878 661327463 /nfs/dbraw/zinc/32/74/63/661327463.db2.gz CFVLMNQNBWYDII-DEOSSOPVSA-N -1 0 354.344 -0.272 20 0 FBADRM O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)Nn1c(=O)[n-][nH]c1=O ZINC000854611880 661327527 /nfs/dbraw/zinc/32/75/27/661327527.db2.gz CFVLMNQNBWYDII-XMMPIXPASA-N -1 0 354.344 -0.272 20 0 FBADRM COc1ccc(S(=O)(=O)CCC(=O)Nn2c(=O)[n-][nH]c2=O)cc1OC ZINC000854612650 661327548 /nfs/dbraw/zinc/32/75/48/661327548.db2.gz KLTKRGXUXSGIBW-UHFFFAOYSA-N -1 0 372.359 -0.359 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)Nn2c(=O)[n-][nH]c2=O)C1 ZINC000854613050 661327475 /nfs/dbraw/zinc/32/74/75/661327475.db2.gz SQXNKFMATJBXKW-XLKFXECMSA-N -1 0 355.351 -0.357 20 0 FBADRM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)Nn1c(=O)[n-][nH]c1=O)C2=O ZINC000854613107 661327553 /nfs/dbraw/zinc/32/75/53/661327553.db2.gz OJUHXPMSBMFYEZ-HTQZYQBOSA-N -1 0 352.351 -0.494 20 0 FBADRM C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)Nn1c(=O)[n-][nH]c1=O)C2=O ZINC000854613108 661327414 /nfs/dbraw/zinc/32/74/14/661327414.db2.gz OJUHXPMSBMFYEZ-IFCRSTKPSA-N -1 0 352.351 -0.494 20 0 FBADRM C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)Nn1c(=O)[n-][nH]c1=O)C2=O ZINC000854613110 661327509 /nfs/dbraw/zinc/32/75/09/661327509.db2.gz OJUHXPMSBMFYEZ-YUMQZZPRSA-N -1 0 352.351 -0.494 20 0 FBADRM C[C@@H](C(=O)Nn1c(=O)[n-][nH]c1=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000854613117 661327523 /nfs/dbraw/zinc/32/75/23/661327523.db2.gz OQJWODANMXSAKL-MRVPVSSYSA-N -1 0 355.376 -0.187 20 0 FBADRM C[C@H](C(=O)Nn1c(=O)[n-][nH]c1=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000854613118 661327465 /nfs/dbraw/zinc/32/74/65/661327465.db2.gz OQJWODANMXSAKL-QMMMGPOBSA-N -1 0 355.376 -0.187 20 0 FBADRM CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)Nn1c(=O)[n-][nH]c1=O)C2=O ZINC000854613445 661327403 /nfs/dbraw/zinc/32/74/03/661327403.db2.gz RDCYFBMLRGQQEO-AWEZNQCLSA-N -1 0 352.351 -0.350 20 0 FBADRM CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)Nn1c(=O)[n-][nH]c1=O)C2=O ZINC000854613446 661327446 /nfs/dbraw/zinc/32/74/46/661327446.db2.gz RDCYFBMLRGQQEO-CQSZACIVSA-N -1 0 352.351 -0.350 20 0 FBADRM Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)Nn3c(=O)[n-][nH]c3=O)cc12 ZINC000854613690 661327429 /nfs/dbraw/zinc/32/74/29/661327429.db2.gz SYAHHLRGYIETNF-LURJTMIESA-N -1 0 365.375 -0.165 20 0 FBADRM Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)Nn3c(=O)[n-][nH]c3=O)cc12 ZINC000854613691 661327500 /nfs/dbraw/zinc/32/75/00/661327500.db2.gz SYAHHLRGYIETNF-ZCFIWIBFSA-N -1 0 365.375 -0.165 20 0 FBADRM CN(C)CCS(=O)(=O)c1ccccc1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854613716 661327515 /nfs/dbraw/zinc/32/75/15/661327515.db2.gz UJGHYBZHSMWAPA-UHFFFAOYSA-N -1 0 355.376 -0.592 20 0 FBADRM CCn1ncn([N-]C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)c1=O ZINC000854626172 661327702 /nfs/dbraw/zinc/32/77/02/661327702.db2.gz KGOJGEDCMXFWQV-UHFFFAOYSA-N -1 0 350.360 -0.939 20 0 FBADRM CCn1ncn([N-]C(=O)c2cnn(C)c2I)c1=O ZINC000854628273 661327660 /nfs/dbraw/zinc/32/76/60/661327660.db2.gz WGYJTIXGQBSUJJ-UHFFFAOYSA-N -1 0 362.131 -0.213 20 0 FBADRM CCn1ncn([N-]C(=O)c2ccccc2S(=O)(=O)CCN(C)C)c1=O ZINC000854629150 661327736 /nfs/dbraw/zinc/32/77/36/661327736.db2.gz PIPVOJNBVJNQKC-UHFFFAOYSA-N -1 0 367.431 -0.216 20 0 FBADRM CCn1ncn([N-]C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c1=O ZINC000854630479 661327649 /nfs/dbraw/zinc/32/76/49/661327649.db2.gz DBXOVZKRMUVLMX-UHFFFAOYSA-N -1 0 371.375 -0.938 20 0 FBADRM CCn1ncn([N-]C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)c1=O ZINC000854630507 661327919 /nfs/dbraw/zinc/32/79/19/661327919.db2.gz FENXZNYJVWDPJO-UHFFFAOYSA-N -1 0 355.376 -0.174 20 0 FBADRM CCn1ncn([N-]C(=O)c2ccc(CCNS(C)(=O)=O)s2)c1=O ZINC000854631119 661327977 /nfs/dbraw/zinc/32/79/77/661327977.db2.gz KMNJXIJSTDPWFT-UHFFFAOYSA-N -1 0 359.433 -0.398 20 0 FBADRM CCn1ncn([N-]C(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)c1=O ZINC000854631120 661327870 /nfs/dbraw/zinc/32/78/70/661327870.db2.gz KQXKIDMYAWFTGH-UHFFFAOYSA-N -1 0 357.367 -0.162 20 0 FBADRM CCn1ncn(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)c1=O ZINC000854631868 661327925 /nfs/dbraw/zinc/32/79/25/661327925.db2.gz WPPNZSXDLNZHDG-UHFFFAOYSA-N -1 0 361.330 -0.609 20 0 FBADRM CN1C(=S)N=NC1CCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000854659427 661328347 /nfs/dbraw/zinc/32/83/47/661328347.db2.gz UXPWNUFSBJVDPZ-UHFFFAOYSA-N -1 0 371.444 -0.181 20 0 FBADRM CN(C)C(=O)O[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000854741558 661329527 /nfs/dbraw/zinc/32/95/27/661329527.db2.gz DOVQSETZADUCFZ-SECBINFHSA-N -1 0 357.388 -0.048 20 0 FBADRM CN(C)C(=O)O[C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000854741559 661329589 /nfs/dbraw/zinc/32/95/89/661329589.db2.gz DOVQSETZADUCFZ-VIFPVBQESA-N -1 0 357.388 -0.048 20 0 FBADRM CCN=c1nc(NCC)nc2[n-]nc(SCC(=O)N3CCOC3)n21 ZINC000854806213 661330816 /nfs/dbraw/zinc/33/08/16/661330816.db2.gz HZXSRRXOMXLRBA-UHFFFAOYSA-N -1 0 352.424 -0.287 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c1[O-] ZINC000854832168 661331467 /nfs/dbraw/zinc/33/14/67/661331467.db2.gz PGGKVUDJXCLARQ-UHFFFAOYSA-N -1 0 365.437 -0.846 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC000854877982 661334000 /nfs/dbraw/zinc/33/40/00/661334000.db2.gz FGZODROYSYEYHM-HTQZYQBOSA-N -1 0 359.408 -0.301 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1cn(CCNC(=O)OC(C)(C)C)nn1 ZINC000855024199 661336105 /nfs/dbraw/zinc/33/61/05/661336105.db2.gz LQEHEXUGRVEDAF-UHFFFAOYSA-N -1 0 356.383 -0.400 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)c1 ZINC000855055758 661336082 /nfs/dbraw/zinc/33/60/82/661336082.db2.gz KAGOKXHALPLFNY-SECBINFHSA-N -1 0 355.372 -0.247 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)c1 ZINC000855055759 661336157 /nfs/dbraw/zinc/33/61/57/661336157.db2.gz KAGOKXHALPLFNY-VIFPVBQESA-N -1 0 355.372 -0.247 20 0 FBADRM CCOC(=O)C(C)(C)O[N-]C(=O)CNS(=O)(=O)c1ccccc1N ZINC000855133346 661336413 /nfs/dbraw/zinc/33/64/13/661336413.db2.gz YQYFXDCNDXUMKN-UHFFFAOYSA-N -1 0 359.404 -0.063 20 0 FBADRM CCOC(=O)C(C)(C)O[N-]C(=O)[C@H](CO)NC(=O)c1cccc(F)n1 ZINC000855135884 661336373 /nfs/dbraw/zinc/33/63/73/661336373.db2.gz XIKDLZQFRUJBQO-JTQLQIEISA-N -1 0 357.338 -0.299 20 0 FBADRM O=C(NCCNC(=O)c1ccc(Br)cn1)c1cc(=O)[nH][n-]1 ZINC000855285530 661337963 /nfs/dbraw/zinc/33/79/63/661337963.db2.gz SODLHVBMEXDALA-UHFFFAOYSA-N -1 0 354.164 -0.434 20 0 FBADRM CCN=c1nc2[n-]nc(SCC(=O)NC/C=C/CO)n2c(NCC)n1 ZINC000855404482 661338269 /nfs/dbraw/zinc/33/82/69/661338269.db2.gz VZUAQVJLWRXBGU-AATRIKPKSA-N -1 0 366.451 -0.438 20 0 FBADRM CCN=c1nc2[n-]nc(SCC(=O)NC/C=C\CO)n2c(NCC)n1 ZINC000855404490 661338217 /nfs/dbraw/zinc/33/82/17/661338217.db2.gz VZUAQVJLWRXBGU-WAYWQWQTSA-N -1 0 366.451 -0.438 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@@]1(OCCO)CCOC1 ZINC000855410406 661338688 /nfs/dbraw/zinc/33/86/88/661338688.db2.gz ZVRXZRHTAHDCSA-GWCFXTLKSA-N -1 0 356.341 -0.026 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@]1(OCCO)CCOC1 ZINC000855410408 661338757 /nfs/dbraw/zinc/33/87/57/661338757.db2.gz ZVRXZRHTAHDCSA-GXFFZTMASA-N -1 0 356.341 -0.026 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000855474567 661340689 /nfs/dbraw/zinc/34/06/89/661340689.db2.gz WWQPQDMEQHACPW-CIUDSAMLSA-N -1 0 360.354 -0.382 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000855474568 661340891 /nfs/dbraw/zinc/34/08/91/661340891.db2.gz WWQPQDMEQHACPW-HLTSFMKQSA-N -1 0 360.354 -0.382 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000855474569 661340704 /nfs/dbraw/zinc/34/07/04/661340704.db2.gz WWQPQDMEQHACPW-VGMNWLOBSA-N -1 0 360.354 -0.382 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000855474570 661340784 /nfs/dbraw/zinc/34/07/84/661340784.db2.gz WWQPQDMEQHACPW-YIZRAAEISA-N -1 0 360.354 -0.382 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CSc1n[n-]c(=S)s1 ZINC000855477323 661341466 /nfs/dbraw/zinc/34/14/66/661341466.db2.gz WXHQSJQBXUUBFZ-NTSWFWBYSA-N -1 0 355.488 -0.153 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CSc1n[n-]c(=S)s1 ZINC000855477324 661341407 /nfs/dbraw/zinc/34/14/07/661341407.db2.gz WXHQSJQBXUUBFZ-PHDIDXHHSA-N -1 0 355.488 -0.153 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CSc1n[n-]c(=S)s1 ZINC000855477325 661342131 /nfs/dbraw/zinc/34/21/31/661342131.db2.gz WXHQSJQBXUUBFZ-RITPCOANSA-N -1 0 355.488 -0.153 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CSc1n[n-]c(=S)s1 ZINC000855477326 661341959 /nfs/dbraw/zinc/34/19/59/661341959.db2.gz WXHQSJQBXUUBFZ-WDSKDSINSA-N -1 0 355.488 -0.153 20 0 FBADRM CCN=c1nc2[n-]nc(SCC(=O)NC[C@H](O)CC)n2c(NCC)n1 ZINC000855742456 661346029 /nfs/dbraw/zinc/34/60/29/661346029.db2.gz RNGWVLJXGROFMK-SECBINFHSA-N -1 0 368.467 -0.216 20 0 FBADRM CS(=O)(=O)C1(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCCCC1 ZINC000855769540 661346186 /nfs/dbraw/zinc/34/61/86/661346186.db2.gz SBEKBXUNKRPQEC-UHFFFAOYSA-N -1 0 367.431 -0.065 20 0 FBADRM C[C@@H]1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CCN1S(C)(=O)=O ZINC000855822912 661346677 /nfs/dbraw/zinc/34/66/77/661346677.db2.gz KRMHMIMBJLJMRK-MRVPVSSYSA-N -1 0 359.370 -0.064 20 0 FBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C[C@H]21 ZINC000855958550 661348332 /nfs/dbraw/zinc/34/83/32/661348332.db2.gz ATCVVDAZNQLNRY-YIZRAAEISA-N -1 0 372.365 -0.286 20 0 FBADRM Cc1ccc(S(=O)(=O)NCC(=O)[N-]OCCN2CCCC2=O)cc1 ZINC000856035306 661349212 /nfs/dbraw/zinc/34/92/12/661349212.db2.gz CIUFJSLXBRNPBH-UHFFFAOYSA-N -1 0 355.416 -0.056 20 0 FBADRM O=C(CNS(=O)(=O)c1ccccc1F)[N-]OCCN1CCCC1=O ZINC000856036101 661349082 /nfs/dbraw/zinc/34/90/82/661349082.db2.gz PLUILCAZYJGHIL-UHFFFAOYSA-N -1 0 359.379 -0.226 20 0 FBADRM O=C(CNS(=O)(=O)c1cccc(F)c1)[N-]OCCN1CCCC1=O ZINC000856036732 661349108 /nfs/dbraw/zinc/34/91/08/661349108.db2.gz JXENLDYLTVOVRD-UHFFFAOYSA-N -1 0 359.379 -0.226 20 0 FBADRM CN(CC(=O)[N-]OCCN1CCCC1=O)S(=O)(=O)c1ccccc1 ZINC000856037191 661349162 /nfs/dbraw/zinc/34/91/62/661349162.db2.gz FDLLYDJQPARDSZ-UHFFFAOYSA-N -1 0 355.416 -0.023 20 0 FBADRM O=C(CN1C(=O)c2ccccc2S1(=O)=O)[N-]OCCN1CCCC1=O ZINC000856037462 661349054 /nfs/dbraw/zinc/34/90/54/661349054.db2.gz JFCGCSDCPFAOQF-UHFFFAOYSA-N -1 0 367.383 -0.499 20 0 FBADRM CN(CC(=O)[N-]OCCN1CCCC1=O)S(=O)(=O)c1cccnc1 ZINC000856038010 661349204 /nfs/dbraw/zinc/34/92/04/661349204.db2.gz SZTJBFGPGISSMV-UHFFFAOYSA-N -1 0 356.404 -0.628 20 0 FBADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)[N-]OCCN1CCCC1=O ZINC000856038022 661349186 /nfs/dbraw/zinc/34/91/86/661349186.db2.gz VSMHNQFZMSPRCK-UHFFFAOYSA-N -1 0 352.391 -0.089 20 0 FBADRM O=C([N-]OCCN1CCCC1=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000856039124 661349045 /nfs/dbraw/zinc/34/90/45/661349045.db2.gz PRCXHPGAWZRSTC-CYBMUJFWSA-N -1 0 354.388 -0.613 20 0 FBADRM O=C([N-]OCCN1CCCC1=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000856039125 661349221 /nfs/dbraw/zinc/34/92/21/661349221.db2.gz PRCXHPGAWZRSTC-ZDUSSCGKSA-N -1 0 354.388 -0.613 20 0 FBADRM C[C@H](C(=O)[N-]OCCN1CCCC1=O)N1C(=O)NC2(CCCC2)C1=O ZINC000856039271 661349439 /nfs/dbraw/zinc/34/94/39/661349439.db2.gz RBUHKXGADUAJIM-LLVKDONJSA-N -1 0 352.391 -0.090 20 0 FBADRM C[C@@H](C(=O)[N-]OCCN1CCCC1=O)N1C(=O)NC2(CCCC2)C1=O ZINC000856039272 661349445 /nfs/dbraw/zinc/34/94/45/661349445.db2.gz RBUHKXGADUAJIM-NSHDSACASA-N -1 0 352.391 -0.090 20 0 FBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)[N-]OCCN1CCCC1=O ZINC000856040048 661349415 /nfs/dbraw/zinc/34/94/15/661349415.db2.gz SABRRICCJIRMNF-LLVKDONJSA-N -1 0 367.493 -0.282 20 0 FBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)[N-]OCCN1CCCC1=O ZINC000856040049 661349475 /nfs/dbraw/zinc/34/94/75/661349475.db2.gz SABRRICCJIRMNF-NSHDSACASA-N -1 0 367.493 -0.282 20 0 FBADRM O=C(CSc1nnnn1CC(F)(F)F)[N-]OCCN1CCCC1=O ZINC000856040118 661349486 /nfs/dbraw/zinc/34/94/86/661349486.db2.gz VMJWYQXVQQQAMB-UHFFFAOYSA-N -1 0 368.341 -0.002 20 0 FBADRM CC(C)OCCS(=O)(=O)NCC(=O)[N-]OCCN1CCCC1=O ZINC000856040925 661349431 /nfs/dbraw/zinc/34/94/31/661349431.db2.gz SBVVPWYRHWSFHG-UHFFFAOYSA-N -1 0 351.425 -0.999 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)[N-]OCCN1CCCC1=O ZINC000856042266 661349448 /nfs/dbraw/zinc/34/94/48/661349448.db2.gz XGWUWYAEGHXWKR-UHFFFAOYSA-N -1 0 358.395 -0.703 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NOCCN2CCCC2=O)c1 ZINC000856043389 661349434 /nfs/dbraw/zinc/34/94/34/661349434.db2.gz WSTCLWUCPDTQAN-UHFFFAOYSA-N -1 0 371.415 -0.074 20 0 FBADRM Nc1ccccc1S(=O)(=O)NCC(=O)[N-]OCCN1CCCC1=O ZINC000856043904 661349438 /nfs/dbraw/zinc/34/94/38/661349438.db2.gz MUOHUTRXDOFLNV-UHFFFAOYSA-N -1 0 356.404 -0.783 20 0 FBADRM O=C([N-]OCCN1CCCC1=O)[C@H](CO)NC(=O)c1ccc(F)cc1 ZINC000856045333 661349496 /nfs/dbraw/zinc/34/94/96/661349496.db2.gz RZONDBYEQJRVOZ-ZDUSSCGKSA-N -1 0 353.350 -0.413 20 0 FBADRM CCN=c1nc2[n-]nc(SCC(=O)N[C@H]3C[C@H](O)C3)n2c(NCC)n1 ZINC000856394281 661350751 /nfs/dbraw/zinc/35/07/51/661350751.db2.gz JHLDYCRXPVOCDC-KYZUINATSA-N -1 0 366.451 -0.464 20 0 FBADRM C[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856414978 661350948 /nfs/dbraw/zinc/35/09/48/661350948.db2.gz VDVZNSNTCXFKBV-HLTSFMKQSA-N -1 0 357.354 -0.406 20 0 FBADRM C[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856414979 661350781 /nfs/dbraw/zinc/35/07/81/661350781.db2.gz VDVZNSNTCXFKBV-VGMNWLOBSA-N -1 0 357.354 -0.406 20 0 FBADRM C[C@@H]1CCN(C(=O)C2(S(N)(=O)=O)CC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856415058 661350905 /nfs/dbraw/zinc/35/09/05/661350905.db2.gz FYUXUGAWBKFMSO-SFYZADRCSA-N -1 0 357.354 -0.277 20 0 FBADRM C[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856415241 661350657 /nfs/dbraw/zinc/35/06/57/661350657.db2.gz ZICRHHVATGUJNL-SFYZADRCSA-N -1 0 362.312 -0.708 20 0 FBADRM C[C@@H]1CCN(C(=O)c2nc3n(n2)CCCN3)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856415663 661350996 /nfs/dbraw/zinc/35/09/96/661350996.db2.gz OFEPJMCHRRNMFP-BDAKNGLRSA-N -1 0 360.340 -0.120 20 0 FBADRM C[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856418753 661351392 /nfs/dbraw/zinc/35/13/92/661351392.db2.gz LXWRYUKZRVXSFF-SFYZADRCSA-N -1 0 362.312 -0.708 20 0 FBADRM COCCS(=O)(=O)CC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856419314 661351425 /nfs/dbraw/zinc/35/14/25/661351425.db2.gz KZKIXBRHUGHDRQ-ZJUUUORDSA-N -1 0 374.381 -0.037 20 0 FBADRM O=C([O-])[C@H]1CSCCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 ZINC000856994845 661355598 /nfs/dbraw/zinc/35/55/98/661355598.db2.gz CVPODJKCVAPXIY-LLVKDONJSA-N -1 0 371.440 -0.240 20 0 FBADRM O=C([O-])[C@@H]1CSCCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 ZINC000856994847 661355605 /nfs/dbraw/zinc/35/56/05/661355605.db2.gz CVPODJKCVAPXIY-NSHDSACASA-N -1 0 371.440 -0.240 20 0 FBADRM Cn1cc(/C=C\C(=O)N2CCSC[C@@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000856996385 661355649 /nfs/dbraw/zinc/35/56/49/661355649.db2.gz XIYXDIXUJXWKDT-BYCRGOAPSA-N -1 0 353.400 -0.627 20 0 FBADRM Cn1cc(/C=C\C(=O)N2CCSC[C@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000856996386 661355716 /nfs/dbraw/zinc/35/57/16/661355716.db2.gz XIYXDIXUJXWKDT-DLRQAJBASA-N -1 0 353.400 -0.627 20 0 FBADRM Cn1cc(/C=C/C(=O)N2CCSC[C@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000856996474 661355622 /nfs/dbraw/zinc/35/56/22/661355622.db2.gz XIYXDIXUJXWKDT-PGLGOXFNSA-N -1 0 353.400 -0.627 20 0 FBADRM Cn1cc(/C=C/C(=O)N2CCSC[C@@H](C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000856996476 661355575 /nfs/dbraw/zinc/35/55/75/661355575.db2.gz XIYXDIXUJXWKDT-UFFNRZRYSA-N -1 0 353.400 -0.627 20 0 FBADRM O=C([O-])[C@@H]1CSCCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC000856996552 661355602 /nfs/dbraw/zinc/35/56/02/661355602.db2.gz YHZHFOORRCABHV-JTQLQIEISA-N -1 0 371.440 -0.240 20 0 FBADRM O=C([O-])[C@H]1CSCCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC000856996554 661355511 /nfs/dbraw/zinc/35/55/11/661355511.db2.gz YHZHFOORRCABHV-SNVBAGLBSA-N -1 0 371.440 -0.240 20 0 FBADRM CCOCCn1cc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cn1 ZINC000857009538 661356091 /nfs/dbraw/zinc/35/60/91/661356091.db2.gz HEMZSKRCOYYASH-UHFFFAOYSA-N -1 0 369.403 -0.524 20 0 FBADRM O=C(CCN1C(=O)CCNC1=S)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000857011980 661356618 /nfs/dbraw/zinc/35/66/18/661356618.db2.gz RIRNGJNYOKLDFM-CYBMUJFWSA-N -1 0 359.415 -0.098 20 0 FBADRM O=C(CCN1C(=O)CCNC1=S)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000857011981 661356392 /nfs/dbraw/zinc/35/63/92/661356392.db2.gz RIRNGJNYOKLDFM-ZDUSSCGKSA-N -1 0 359.415 -0.098 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cnc3n2CCCCC3)CC1 ZINC000857030030 661356589 /nfs/dbraw/zinc/35/65/89/661356589.db2.gz BLFQIBXDMKQXIV-UHFFFAOYSA-N -1 0 369.447 -0.252 20 0 FBADRM CCn1ncc(Cl)c1C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000857030859 661356629 /nfs/dbraw/zinc/35/66/29/661356629.db2.gz IICOBHMWWSXTCA-UHFFFAOYSA-N -1 0 363.827 -0.305 20 0 FBADRM CCOCCn1cc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)cn1 ZINC000857031806 661356570 /nfs/dbraw/zinc/35/65/70/661356570.db2.gz XXALZZXNWPOWTD-UHFFFAOYSA-N -1 0 373.435 -0.942 20 0 FBADRM CCOCCn1cc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)cn1 ZINC000857036702 661356511 /nfs/dbraw/zinc/35/65/11/661356511.db2.gz NESFWMBVIMQLLT-UHFFFAOYSA-N -1 0 357.348 -0.875 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)c2cnc3n2CCCCC3)on1 ZINC000857037403 661356611 /nfs/dbraw/zinc/35/66/11/661356611.db2.gz VPPTVNXXVPLIFH-UHFFFAOYSA-N -1 0 353.360 -0.185 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1CCS(=O)(=O)C1CCCCC1 ZINC000857083847 661356900 /nfs/dbraw/zinc/35/69/00/661356900.db2.gz JBJCHORYHROUKB-GFCCVEGCSA-N -1 0 353.462 -0.083 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1CCS(=O)(=O)C1CCCCC1 ZINC000857083848 661356761 /nfs/dbraw/zinc/35/67/61/661356761.db2.gz JBJCHORYHROUKB-LBPRGKRZSA-N -1 0 353.462 -0.083 20 0 FBADRM O=C([O-])C1CN(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1 ZINC000857097457 661357419 /nfs/dbraw/zinc/35/74/19/661357419.db2.gz RPSQJEXVDARPBK-UHFFFAOYSA-N -1 0 355.363 -0.023 20 0 FBADRM CC[C@@H](NNC1=c2cc(OC)c(Br)cc2=NC1=O)C(=O)[O-] ZINC000857210465 661358222 /nfs/dbraw/zinc/35/82/22/661358222.db2.gz RISZYXUJJLLCJV-MRVPVSSYSA-N -1 0 356.176 -0.317 20 0 FBADRM CC[C@H](NNC1=c2cc(OC)c(Br)cc2=NC1=O)C(=O)[O-] ZINC000857210466 661358166 /nfs/dbraw/zinc/35/81/66/661358166.db2.gz RISZYXUJJLLCJV-QMMMGPOBSA-N -1 0 356.176 -0.317 20 0 FBADRM COC(=O)CCCO[N-]C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000857259914 661358895 /nfs/dbraw/zinc/35/88/95/661358895.db2.gz MTGXPPWTEBFZBK-LSDHHAIUSA-N -1 0 351.359 -0.019 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[N-]OC(C)(C)CO ZINC000857284304 661359183 /nfs/dbraw/zinc/35/91/83/661359183.db2.gz FYRRJIRVORGXIO-SECBINFHSA-N -1 0 359.404 -0.729 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[N-]OC(C)(C)CO ZINC000857284305 661359041 /nfs/dbraw/zinc/35/90/41/661359041.db2.gz FYRRJIRVORGXIO-VIFPVBQESA-N -1 0 359.404 -0.729 20 0 FBADRM Cn1nc(Br)c2c1ncn(CC(=O)[N-]OC(C)(C)CO)c2=O ZINC000857284721 661359021 /nfs/dbraw/zinc/35/90/21/661359021.db2.gz GOMCHTYUBCMROP-UHFFFAOYSA-N -1 0 374.195 -0.289 20 0 FBADRM CC(C)[C@H](CO)O[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000857285787 661359051 /nfs/dbraw/zinc/35/90/51/661359051.db2.gz KXOANZYOBVDSNT-GWCFXTLKSA-N -1 0 373.431 -0.483 20 0 FBADRM CC(C)[C@@H](CO)O[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000857285788 661359130 /nfs/dbraw/zinc/35/91/30/661359130.db2.gz KXOANZYOBVDSNT-GXFFZTMASA-N -1 0 373.431 -0.483 20 0 FBADRM CC(C)[C@H](CO)O[N-]C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000857285789 661358994 /nfs/dbraw/zinc/35/89/94/661358994.db2.gz KXOANZYOBVDSNT-MFKMUULPSA-N -1 0 373.431 -0.483 20 0 FBADRM CC(C)[C@@H](CO)O[N-]C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000857285790 661358981 /nfs/dbraw/zinc/35/89/81/661358981.db2.gz KXOANZYOBVDSNT-ZWNOBZJWSA-N -1 0 373.431 -0.483 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)[N-]OC(C)(C)CO)c1 ZINC000857286814 661359117 /nfs/dbraw/zinc/35/91/17/661359117.db2.gz HHHOZKZUXHUXQG-UHFFFAOYSA-N -1 0 373.431 -0.515 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)NCC(=O)[N-]OCCN1CCCC1=O ZINC000857331445 661359388 /nfs/dbraw/zinc/35/93/88/661359388.db2.gz WVQBFGJXLOBJFN-UHFFFAOYSA-N -1 0 360.392 -0.760 20 0 FBADRM CN(C)C(=O)[C@@](C)(NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(F)(F)F ZINC000857635280 661360167 /nfs/dbraw/zinc/36/01/67/661360167.db2.gz IHDBJRQSHLEVHD-GFCCVEGCSA-N -1 0 360.296 -0.403 20 0 FBADRM CN(C)C(=O)[C@](C)(NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(F)(F)F ZINC000857635281 661360255 /nfs/dbraw/zinc/36/02/55/661360255.db2.gz IHDBJRQSHLEVHD-LBPRGKRZSA-N -1 0 360.296 -0.403 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1noc2c1COCC2 ZINC000857846603 661362555 /nfs/dbraw/zinc/36/25/55/661362555.db2.gz FNNUGHDFACSYMY-JTQLQIEISA-N -1 0 373.387 -0.251 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1noc2c1COCC2 ZINC000857846604 661362550 /nfs/dbraw/zinc/36/25/50/661362550.db2.gz FNNUGHDFACSYMY-SNVBAGLBSA-N -1 0 373.387 -0.251 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2noc3c2COCC3)s1 ZINC000857848024 661362633 /nfs/dbraw/zinc/36/26/33/661362633.db2.gz AIQQIWWCNBWAMK-UHFFFAOYSA-N -1 0 373.372 -0.324 20 0 FBADRM COCCNC(=O)CNC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000858205774 661364124 /nfs/dbraw/zinc/36/41/24/661364124.db2.gz BLDJNAQPAGGGMD-UHFFFAOYSA-N -1 0 351.281 -0.050 20 0 FBADRM CS(=O)(=O)NCCNC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000858277287 661364798 /nfs/dbraw/zinc/36/47/98/661364798.db2.gz KSKROZFOMUQUMI-UHFFFAOYSA-N -1 0 357.310 -0.263 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000858589462 661367578 /nfs/dbraw/zinc/36/75/78/661367578.db2.gz LZNKJOBSLZUJAK-AWEZNQCLSA-N -1 0 351.407 -0.351 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000858589463 661367498 /nfs/dbraw/zinc/36/74/98/661367498.db2.gz LZNKJOBSLZUJAK-CQSZACIVSA-N -1 0 351.407 -0.351 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NC[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000858589759 661367581 /nfs/dbraw/zinc/36/75/81/661367581.db2.gz WFNLKJZNSZOXTJ-LLVKDONJSA-N -1 0 360.411 -0.011 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NC[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000858589760 661367489 /nfs/dbraw/zinc/36/74/89/661367489.db2.gz WFNLKJZNSZOXTJ-NSHDSACASA-N -1 0 360.411 -0.011 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000858589801 661367506 /nfs/dbraw/zinc/36/75/06/661367506.db2.gz XJNZAQCIOTZTLS-UHFFFAOYSA-N -1 0 352.347 -0.237 20 0 FBADRM COC(=O)[C@@H]1CC[C@H](C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)O1 ZINC000858695158 661368430 /nfs/dbraw/zinc/36/84/30/661368430.db2.gz DJDWSONDHICMOB-RITPCOANSA-N -1 0 350.378 -0.431 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)s1 ZINC000858697922 661368360 /nfs/dbraw/zinc/36/83/60/661368360.db2.gz SUQBEPRCRFAYQF-GRHNULHQSA-N -1 0 374.400 -0.431 20 0 FBADRM NC(=O)CN1CCN(C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)CC1 ZINC000858815998 661369190 /nfs/dbraw/zinc/36/91/90/661369190.db2.gz SBSXIEUJKMLIFW-UHFFFAOYSA-N -1 0 362.308 -0.299 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCS(=O)(=O)CC2CC2)on1 ZINC000859070423 661371523 /nfs/dbraw/zinc/37/15/23/661371523.db2.gz WGHHNBDBNHEHIA-UHFFFAOYSA-N -1 0 352.390 -0.436 20 0 FBADRM COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)nc1F ZINC000859093808 657131257 /nfs/dbraw/zinc/13/12/57/657131257.db2.gz VOXMORPONMEIQO-RXMQYKEDSA-N -1 0 357.157 -0.205 20 0 FBADRM COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)nc1F ZINC000859093809 657131480 /nfs/dbraw/zinc/13/14/80/657131480.db2.gz VOXMORPONMEIQO-YFKPBYRVSA-N -1 0 357.157 -0.205 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2COC3(CCOCC3)O2)on1 ZINC000859097911 661371616 /nfs/dbraw/zinc/37/16/16/661371616.db2.gz UHGBAFKUIMSJOM-SECBINFHSA-N -1 0 362.360 -0.338 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2COC3(CCOCC3)O2)on1 ZINC000859097912 661371651 /nfs/dbraw/zinc/37/16/51/661371651.db2.gz UHGBAFKUIMSJOM-VIFPVBQESA-N -1 0 362.360 -0.338 20 0 FBADRM CN1C(=O)CN([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)C1=O ZINC000859100101 661371630 /nfs/dbraw/zinc/37/16/30/661371630.db2.gz AJCSHKFBBDRHOU-UHFFFAOYSA-N -1 0 364.383 -0.391 20 0 FBADRM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c1F ZINC000859100232 661372011 /nfs/dbraw/zinc/37/20/11/661372011.db2.gz CFNZADKPQREEKX-UHFFFAOYSA-N -1 0 363.298 -0.161 20 0 FBADRM CN1C(=O)CN([N-]S(=O)(=O)c2cccnc2OCC(F)F)C1=O ZINC000859101401 661372000 /nfs/dbraw/zinc/37/20/00/661372000.db2.gz OSWCHUVETNAKOU-UHFFFAOYSA-N -1 0 350.303 -0.187 20 0 FBADRM COC(=O)C[C@]1([N-]S(=O)(=O)c2cc(C(=O)OC)no2)CCCOC1 ZINC000859111557 661371964 /nfs/dbraw/zinc/37/19/64/661371964.db2.gz BSUOTUGHKNECJT-CYBMUJFWSA-N -1 0 362.360 -0.148 20 0 FBADRM COC(=O)C[C@@]1([N-]S(=O)(=O)c2cc(C(=O)OC)no2)CCCOC1 ZINC000859111558 661371908 /nfs/dbraw/zinc/37/19/08/661371908.db2.gz BSUOTUGHKNECJT-ZDUSSCGKSA-N -1 0 362.360 -0.148 20 0 FBADRM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2nc(N(C)C)no2)on1 ZINC000859114434 661372007 /nfs/dbraw/zinc/37/20/07/661372007.db2.gz IRNAZAOQKQGYIS-UHFFFAOYSA-N -1 0 359.364 -0.080 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)on1 ZINC000859127669 661372255 /nfs/dbraw/zinc/37/22/55/661372255.db2.gz TYDZIIWBMGAIMB-UHFFFAOYSA-N -1 0 372.359 -0.091 20 0 FBADRM Cn1nnc(C[N-]S(=O)(=O)c2ccc(Br)nc2F)n1 ZINC000859137388 661372196 /nfs/dbraw/zinc/37/21/96/661372196.db2.gz IHJNTARIMHUUDI-UHFFFAOYSA-N -1 0 351.161 -0.015 20 0 FBADRM CS(=O)(=O)N=S1(=O)CCN(S(=O)(=O)c2ccccc2[O-])CC1 ZINC000859164323 661372413 /nfs/dbraw/zinc/37/24/13/661372413.db2.gz KEUAOMRTEKPUDX-UHFFFAOYSA-N -1 0 368.458 -0.176 20 0 FBADRM CN1C(=S)N=NC1CCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000859208986 661372843 /nfs/dbraw/zinc/37/28/43/661372843.db2.gz PUJRXTLILJWGDJ-UHFFFAOYSA-N -1 0 356.433 -0.157 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000859209013 661373014 /nfs/dbraw/zinc/37/30/14/661373014.db2.gz VPCXWBDRTNLCFR-UHFFFAOYSA-N -1 0 353.400 -0.132 20 0 FBADRM CCON(CC)C(=O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000859273865 661373543 /nfs/dbraw/zinc/37/35/43/661373543.db2.gz RNNDDPSLHDXRIU-UHFFFAOYSA-N -1 0 371.375 -0.486 20 0 FBADRM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000859278112 661373874 /nfs/dbraw/zinc/37/38/74/661373874.db2.gz KODFGSAYOMGDHC-LLVKDONJSA-N -1 0 370.366 -0.492 20 0 FBADRM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000859278113 661373802 /nfs/dbraw/zinc/37/38/02/661373802.db2.gz KODFGSAYOMGDHC-NSHDSACASA-N -1 0 370.366 -0.492 20 0 FBADRM COC(=O)C1=CC[C@@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000859288414 661373996 /nfs/dbraw/zinc/37/39/96/661373996.db2.gz YGFVNLVVXLFZMB-MRVPVSSYSA-N -1 0 366.355 -0.024 20 0 FBADRM COC(=O)C1=CC[C@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000859288415 661374044 /nfs/dbraw/zinc/37/40/44/661374044.db2.gz YGFVNLVVXLFZMB-QMMMGPOBSA-N -1 0 366.355 -0.024 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000859307692 661374466 /nfs/dbraw/zinc/37/44/66/661374466.db2.gz GZFPRKHSYFXAMC-UHFFFAOYSA-N -1 0 350.422 -0.878 20 0 FBADRM O=C(NCCN1C(=O)CNC1=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000859374105 661375708 /nfs/dbraw/zinc/37/57/08/661375708.db2.gz SMVJOLFRPMMFBI-UHFFFAOYSA-N -1 0 362.264 -0.260 20 0 FBADRM CON(C)C(=O)[C@H](C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000859403205 661376349 /nfs/dbraw/zinc/37/63/49/661376349.db2.gz XQOVWELOBWJGTL-LURJTMIESA-N -1 0 357.348 -0.877 20 0 FBADRM CON(C)C(=O)[C@@H](C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000859413221 661376538 /nfs/dbraw/zinc/37/65/38/661376538.db2.gz XQOVWELOBWJGTL-ZCFIWIBFSA-N -1 0 357.348 -0.877 20 0 FBADRM CCOC(=O)[C@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCO1 ZINC000859544887 661378218 /nfs/dbraw/zinc/37/82/18/661378218.db2.gz HXYVHIQRSUQXQI-LLVKDONJSA-N -1 0 357.388 -0.143 20 0 FBADRM CCOC(=O)[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCO1 ZINC000859544888 661378081 /nfs/dbraw/zinc/37/80/81/661378081.db2.gz HXYVHIQRSUQXQI-NSHDSACASA-N -1 0 357.388 -0.143 20 0 FBADRM CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1cn(CC(=O)[O-])nn1 ZINC000859798385 661379300 /nfs/dbraw/zinc/37/93/00/661379300.db2.gz ABCBYXAIZMYEDG-UHFFFAOYSA-N -1 0 351.388 -0.167 20 0 FBADRM CN(C)c1nc(N)nc(COC(=O)c2ccc([N-]S(C)(=O)=O)nc2)n1 ZINC000859921854 661381002 /nfs/dbraw/zinc/38/10/02/661381002.db2.gz IHZUZBGCONQJMT-UHFFFAOYSA-N -1 0 367.391 -0.357 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)NC[C@H]2CCCO2)cn1 ZINC000859921867 661380810 /nfs/dbraw/zinc/38/08/10/661380810.db2.gz IUFJAHAVPBQAHU-LLVKDONJSA-N -1 0 357.388 -0.095 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)NC[C@@H]2CCCO2)cn1 ZINC000859921868 661380908 /nfs/dbraw/zinc/38/09/08/661380908.db2.gz IUFJAHAVPBQAHU-NSHDSACASA-N -1 0 357.388 -0.095 20 0 FBADRM CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000859921885 661380969 /nfs/dbraw/zinc/38/09/69/661380969.db2.gz JOQSKJLFLDSRJA-MRVPVSSYSA-N -1 0 358.376 -0.156 20 0 FBADRM CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000859921886 661380914 /nfs/dbraw/zinc/38/09/14/661380914.db2.gz JOQSKJLFLDSRJA-QMMMGPOBSA-N -1 0 358.376 -0.156 20 0 FBADRM COC(=O)CCNC(=O)COC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000859922005 661380918 /nfs/dbraw/zinc/38/09/18/661380918.db2.gz OKAYUGFCHIFGIC-UHFFFAOYSA-N -1 0 359.360 -0.711 20 0 FBADRM CCCNC(=O)NC(=O)COC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000859922079 661380771 /nfs/dbraw/zinc/38/07/71/661380771.db2.gz RRNQTQUURZIUAR-UHFFFAOYSA-N -1 0 358.376 -0.154 20 0 FBADRM C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(=O)N1CCOCC1 ZINC000859922119 661380874 /nfs/dbraw/zinc/38/08/74/661380874.db2.gz UDLAYKKHARXYEK-JTQLQIEISA-N -1 0 357.388 -0.143 20 0 FBADRM C[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(=O)N1CCOCC1 ZINC000859922120 661380962 /nfs/dbraw/zinc/38/09/62/661380962.db2.gz UDLAYKKHARXYEK-SNVBAGLBSA-N -1 0 357.388 -0.143 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)NC(=O)NC2CC2)cn1 ZINC000859922147 661380927 /nfs/dbraw/zinc/38/09/27/661380927.db2.gz VXSLURDBZUUNNU-UHFFFAOYSA-N -1 0 356.360 -0.402 20 0 FBADRM CCS(=O)(=O)NCCOC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000859922219 661380794 /nfs/dbraw/zinc/38/07/94/661380794.db2.gz CFAVDXBHEQVBLX-UHFFFAOYSA-N -1 0 351.406 -0.451 20 0 FBADRM Cn1c(COC(=O)c2ccc([N-]S(C)(=O)=O)nc2)cc(=O)n(C)c1=O ZINC000859922280 661380785 /nfs/dbraw/zinc/38/07/85/661380785.db2.gz XFSGESBRBLIDCC-UHFFFAOYSA-N -1 0 368.371 -0.793 20 0 FBADRM CC(C)[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(=O)NC(N)=O ZINC000859922390 661380853 /nfs/dbraw/zinc/38/08/53/661380853.db2.gz FDNXWALMHKKNNU-JTQLQIEISA-N -1 0 358.376 -0.171 20 0 FBADRM CC(C)[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(=O)NC(N)=O ZINC000859922391 661380997 /nfs/dbraw/zinc/38/09/97/661380997.db2.gz FDNXWALMHKKNNU-SNVBAGLBSA-N -1 0 358.376 -0.171 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)OCCCN2C(=O)CNC2=O)cn1 ZINC000859922457 661380743 /nfs/dbraw/zinc/38/07/43/661380743.db2.gz HMHUQEZBGNIKPT-UHFFFAOYSA-N -1 0 356.360 -0.448 20 0 FBADRM COC(=O)CNC(=O)[C@@H](C)OC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000859922465 661380735 /nfs/dbraw/zinc/38/07/35/661380735.db2.gz HSCORAZOOPFQKE-MRVPVSSYSA-N -1 0 359.360 -0.712 20 0 FBADRM COC(=O)CNC(=O)[C@H](C)OC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000859922466 661380804 /nfs/dbraw/zinc/38/08/04/661380804.db2.gz HSCORAZOOPFQKE-QMMMGPOBSA-N -1 0 359.360 -0.712 20 0 FBADRM C[C@H]1CN(C(=O)COC(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCO1 ZINC000859922509 661380980 /nfs/dbraw/zinc/38/09/80/661380980.db2.gz JILJFOIMBMUYKA-JTQLQIEISA-N -1 0 357.388 -0.143 20 0 FBADRM C[C@@H]1CN(C(=O)COC(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCO1 ZINC000859922510 661380954 /nfs/dbraw/zinc/38/09/54/661380954.db2.gz JILJFOIMBMUYKA-SNVBAGLBSA-N -1 0 357.388 -0.143 20 0 FBADRM CC1(C)NC(=O)N(CCOC(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1=O ZINC000859922618 661380888 /nfs/dbraw/zinc/38/08/88/661380888.db2.gz NAMWDKURLZAMDO-UHFFFAOYSA-N -1 0 370.387 -0.060 20 0 FBADRM CN(C)S(=O)(=O)CCCOC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000859922628 661380900 /nfs/dbraw/zinc/38/09/00/661380900.db2.gz NLCYJMJKBVOHRJ-UHFFFAOYSA-N -1 0 365.433 -0.109 20 0 FBADRM C[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(=O)NC(=O)NC1CC1 ZINC000859922803 661380881 /nfs/dbraw/zinc/38/08/81/661380881.db2.gz PQHQSGVFIRBQNV-MRVPVSSYSA-N -1 0 370.387 -0.013 20 0 FBADRM C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(=O)NC(=O)NC1CC1 ZINC000859922804 661380818 /nfs/dbraw/zinc/38/08/18/661380818.db2.gz PQHQSGVFIRBQNV-QMMMGPOBSA-N -1 0 370.387 -0.013 20 0 FBADRM CNS(=O)(=O)CCCOC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000859923162 661380989 /nfs/dbraw/zinc/38/09/89/661380989.db2.gz UOXRAULFVBBFDY-UHFFFAOYSA-N -1 0 351.406 -0.451 20 0 FBADRM C[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(=O)N1CCNC1=O ZINC000859923407 661380895 /nfs/dbraw/zinc/38/08/95/661380895.db2.gz ZCLLWWDJYBGURD-MRVPVSSYSA-N -1 0 356.360 -0.450 20 0 FBADRM C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(=O)N1CCNC1=O ZINC000859923408 661380830 /nfs/dbraw/zinc/38/08/30/661380830.db2.gz ZCLLWWDJYBGURD-QMMMGPOBSA-N -1 0 356.360 -0.450 20 0 FBADRM C[C@@H](NC(=O)COC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(=O)N(C)C ZINC000859923412 661380751 /nfs/dbraw/zinc/38/07/51/661380751.db2.gz ZHUFLJCWGFLEIQ-SECBINFHSA-N -1 0 372.403 -0.797 20 0 FBADRM C[C@H](NC(=O)COC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(=O)N(C)C ZINC000859923413 661380934 /nfs/dbraw/zinc/38/09/34/661380934.db2.gz ZHUFLJCWGFLEIQ-VIFPVBQESA-N -1 0 372.403 -0.797 20 0 FBADRM C[C@H]1NC(=O)N(CCOC(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1=O ZINC000859923523 661380864 /nfs/dbraw/zinc/38/08/64/661380864.db2.gz RXOMHJRWJFOEQG-MRVPVSSYSA-N -1 0 356.360 -0.450 20 0 FBADRM C[C@@H]1NC(=O)N(CCOC(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1=O ZINC000859923524 661380839 /nfs/dbraw/zinc/38/08/39/661380839.db2.gz RXOMHJRWJFOEQG-QMMMGPOBSA-N -1 0 356.360 -0.450 20 0 FBADRM CCS(=O)(=O)NCCCOC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000859924045 661380764 /nfs/dbraw/zinc/38/07/64/661380764.db2.gz KYXAEOVXJVVKDN-UHFFFAOYSA-N -1 0 365.433 -0.061 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)OCCN2CCCS2(=O)=O)cn1 ZINC000859924220 661380945 /nfs/dbraw/zinc/38/09/45/661380945.db2.gz OLPFDYKBLBPEPF-UHFFFAOYSA-N -1 0 363.417 -0.355 20 0 FBADRM CCOC(=O)CN(C)C(=O)COC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000859924834 661381009 /nfs/dbraw/zinc/38/10/09/661381009.db2.gz ZZGCDPYFUYVRIM-UHFFFAOYSA-N -1 0 373.387 -0.369 20 0 FBADRM NC(=O)NC(=O)CCNC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000859957781 661381249 /nfs/dbraw/zinc/38/12/49/661381249.db2.gz ISHPOHPDFBJAJF-UHFFFAOYSA-N -1 0 350.253 -0.227 20 0 FBADRM CN1C(=O)CN(CC(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)C1=O ZINC000860304231 661383778 /nfs/dbraw/zinc/38/37/78/661383778.db2.gz LXPSETZXUBNWNY-UHFFFAOYSA-N -1 0 366.355 -0.554 20 0 FBADRM COC(=O)CNC(=O)COC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000860308124 661383817 /nfs/dbraw/zinc/38/38/17/661383817.db2.gz CPGPSJRGCRKSJL-UHFFFAOYSA-N -1 0 366.248 -0.096 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)O1 ZINC000860412264 661384718 /nfs/dbraw/zinc/38/47/18/661384718.db2.gz YJLJZGHJNJISGU-VHSXEESVSA-N -1 0 353.356 -0.415 20 0 FBADRM CCN1C(=O)CO[C@H](C(=O)OCc2n[nH]c(=O)[n-]2)[C@H]1c1nccn1C ZINC000860423616 661384978 /nfs/dbraw/zinc/38/49/78/661384978.db2.gz UUXORIBJDCSWER-QWRGUYRKSA-N -1 0 350.335 -0.724 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)cc1 ZINC000860444096 661384902 /nfs/dbraw/zinc/38/49/02/661384902.db2.gz CAEXHVHMXIFUEY-UHFFFAOYSA-N -1 0 355.372 -0.216 20 0 FBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000860445916 661384838 /nfs/dbraw/zinc/38/48/38/661384838.db2.gz AAPIDJLVOWHMEA-LBPRGKRZSA-N -1 0 352.376 -0.762 20 0 FBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)C1=O ZINC000860446068 661385097 /nfs/dbraw/zinc/38/50/97/661385097.db2.gz CHQVLBGWAQPALQ-UHFFFAOYSA-N -1 0 369.355 -0.843 20 0 FBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)O1 ZINC000860446268 661385166 /nfs/dbraw/zinc/38/51/66/661385166.db2.gz GVJDUKOJJBAHLS-NEPJUHHUSA-N -1 0 371.367 -0.017 20 0 FBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)C(C)C ZINC000860446274 661385205 /nfs/dbraw/zinc/38/52/05/661385205.db2.gz GYRADNZKOHFDFE-CYBMUJFWSA-N -1 0 366.403 -0.372 20 0 FBADRM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@@H]1COC(=O)N1 ZINC000860446470 661385133 /nfs/dbraw/zinc/38/51/33/661385133.db2.gz KNIUTLMLLRUKEK-VIFPVBQESA-N -1 0 357.344 -0.433 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)cc1 ZINC000860446633 661385207 /nfs/dbraw/zinc/38/52/07/661385207.db2.gz MQCOPKWOJPBWBO-UHFFFAOYSA-N -1 0 353.356 -0.412 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)O1 ZINC000860446898 661385153 /nfs/dbraw/zinc/38/51/53/661385153.db2.gz RJQURHDTNKPHFT-WDEREUQCSA-N -1 0 356.356 -0.704 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)cc1OC ZINC000860447321 661385211 /nfs/dbraw/zinc/38/52/11/661385211.db2.gz INXTUOVUECVYAO-UHFFFAOYSA-N -1 0 371.371 -0.597 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860447470 661385156 /nfs/dbraw/zinc/38/51/56/661385156.db2.gz NMUQXGSFAJPXKZ-DLVJRCHESA-N -1 0 356.356 -0.183 20 0 FBADRM CCOC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COC(=O)N2)cc1 ZINC000860447611 661385223 /nfs/dbraw/zinc/38/52/23/661385223.db2.gz RWXJVNNOVPSRKX-NSHDSACASA-N -1 0 371.371 -0.154 20 0 FBADRM O=C(CO)N1CCN(C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)CC1 ZINC000860447652 661385179 /nfs/dbraw/zinc/38/51/79/661385179.db2.gz TUKCBWHJQXBTKY-UHFFFAOYSA-N -1 0 363.292 -0.265 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000860447662 661385191 /nfs/dbraw/zinc/38/51/91/661385191.db2.gz UDEUBNHNLJZOJL-JTQLQIEISA-N -1 0 367.387 -0.117 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000860447663 661385126 /nfs/dbraw/zinc/38/51/26/661385126.db2.gz UDEUBNHNLJZOJL-SNVBAGLBSA-N -1 0 367.387 -0.117 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)cc1OC ZINC000860447746 661385169 /nfs/dbraw/zinc/38/51/69/661385169.db2.gz WPBOQWXKZWCPFL-MNOVXSKESA-N -1 0 358.372 -0.458 20 0 FBADRM COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)c1 ZINC000860447751 661385068 /nfs/dbraw/zinc/38/50/68/661385068.db2.gz WVHUSWIENGCWTP-UHFFFAOYSA-N -1 0 371.371 -0.597 20 0 FBADRM COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)c1 ZINC000860447752 661385131 /nfs/dbraw/zinc/38/51/31/661385131.db2.gz WXDQHUPBOJEBQF-MNOVXSKESA-N -1 0 358.372 -0.458 20 0 FBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2C)c1 ZINC000860448249 661385215 /nfs/dbraw/zinc/38/52/15/661385215.db2.gz BWXLHCYJZCYCJQ-UHFFFAOYSA-N -1 0 355.376 -0.475 20 0 FBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000860448659 661385174 /nfs/dbraw/zinc/38/51/74/661385174.db2.gz ISTTXFNDLOVYMT-UHFFFAOYSA-N -1 0 370.431 -0.304 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860448889 661385102 /nfs/dbraw/zinc/38/51/02/661385102.db2.gz NVYNZAKZCIOIHN-YYHMBLRTSA-N -1 0 369.399 -0.438 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)O1 ZINC000860449434 661385138 /nfs/dbraw/zinc/38/51/38/661385138.db2.gz ZLBVLXJJZATBKF-NWDGAFQWSA-N -1 0 370.383 -0.314 20 0 FBADRM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@@H]1COC(=O)N1 ZINC000860449632 661385203 /nfs/dbraw/zinc/38/52/03/661385203.db2.gz JYZMBOCMEUWVMC-JTQLQIEISA-N -1 0 371.371 -0.043 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)c1cn(C2CC2)nn1 ZINC000860449671 661385115 /nfs/dbraw/zinc/38/51/15/661385115.db2.gz DRKAZIDLMKFPRV-UHFFFAOYSA-N -1 0 364.387 -0.172 20 0 FBADRM Cc1ccnn1CC(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C ZINC000860449914 661385142 /nfs/dbraw/zinc/38/51/42/661385142.db2.gz IVSXQHRKKPEKIL-UHFFFAOYSA-N -1 0 351.388 -0.207 20 0 FBADRM CC(=O)N[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000860450301 661385162 /nfs/dbraw/zinc/38/51/62/661385162.db2.gz VBQQFCPMOFUQAW-LLVKDONJSA-N -1 0 358.420 -0.520 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)c1 ZINC000860450315 661385150 /nfs/dbraw/zinc/38/51/50/661385150.db2.gz VNIPHEPILVFWTR-UHFFFAOYSA-N -1 0 353.356 -0.412 20 0 FBADRM CCCCS(=O)(=O)[N-]C(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1nccn1C ZINC000860450514 661385186 /nfs/dbraw/zinc/38/51/86/661385186.db2.gz YOPDZBUCKSLDHA-CHWSQXEVSA-N -1 0 372.447 -0.045 20 0 FBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)C1=O ZINC000860450934 661385128 /nfs/dbraw/zinc/38/51/28/661385128.db2.gz HFSIQBRMVLRCSQ-UHFFFAOYSA-N -1 0 351.384 -0.126 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2OCC[C@@H]2NC(=O)OC(C)(C)C)cn1 ZINC000860453107 661385202 /nfs/dbraw/zinc/38/52/02/661385202.db2.gz BOSRPSGZQUISAU-WDEREUQCSA-N -1 0 374.419 -0.093 20 0 FBADRM Cn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)c3cnn(C)c3)CC2=O)cn1 ZINC000860453134 661385080 /nfs/dbraw/zinc/38/50/80/661385080.db2.gz DARLWXHYXRFLJJ-SECBINFHSA-N -1 0 352.376 -0.988 20 0 FBADRM Cn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)c3cnn(C)c3)CC2=O)cn1 ZINC000860453135 661385209 /nfs/dbraw/zinc/38/52/09/661385209.db2.gz DARLWXHYXRFLJJ-VIFPVBQESA-N -1 0 352.376 -0.988 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cn1 ZINC000860453144 661385420 /nfs/dbraw/zinc/38/54/20/661385420.db2.gz DLQFGTUOBCMJQN-GXTWGEPZSA-N -1 0 363.399 -0.160 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ccnc(N3CCOCC3)n2)cn1 ZINC000860453220 661385378 /nfs/dbraw/zinc/38/53/78/661385378.db2.gz FDOKVDMXTRXLSR-UHFFFAOYSA-N -1 0 352.376 -0.835 20 0 FBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)Cc2noc3ccccc32)C1=O ZINC000860453502 661385372 /nfs/dbraw/zinc/38/53/72/661385372.db2.gz KLQSUNXJWSVDES-UHFFFAOYSA-N -1 0 366.355 -0.332 20 0 FBADRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)CN1CC(=O)N(C)C1=O ZINC000860454321 661385351 /nfs/dbraw/zinc/38/53/51/661385351.db2.gz URDRVYUWWNLQKH-UHFFFAOYSA-N -1 0 354.388 -0.627 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2noc3ccccc32)O1 ZINC000860454647 661385364 /nfs/dbraw/zinc/38/53/64/661385364.db2.gz YLWXHHBMCACSIP-NWDGAFQWSA-N -1 0 353.356 -0.193 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)s1 ZINC000860482462 661385438 /nfs/dbraw/zinc/38/54/38/661385438.db2.gz HUOZCMHEPISZJA-RQJHMYQMSA-N -1 0 362.385 -0.628 20 0 FBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000860483226 661385449 /nfs/dbraw/zinc/38/54/49/661385449.db2.gz BVFMMTRKXUUFNM-LBPRGKRZSA-N -1 0 362.429 -0.334 20 0 FBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000860483514 661385342 /nfs/dbraw/zinc/38/53/42/661385342.db2.gz FJPFCXFGOAQOOD-LBPRGKRZSA-N -1 0 366.403 -0.547 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)COCC(F)F)c1 ZINC000860484601 661385423 /nfs/dbraw/zinc/38/54/23/661385423.db2.gz OOPLJAZFAWUIJN-UHFFFAOYSA-N -1 0 361.330 -0.036 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cn(C3CC3)nn2)CC1 ZINC000860494720 661385406 /nfs/dbraw/zinc/38/54/06/661385406.db2.gz BXIKSAYOBBSMQS-UHFFFAOYSA-N -1 0 357.392 -0.527 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2nn(C)cc2Cl)CC1 ZINC000860495335 661385425 /nfs/dbraw/zinc/38/54/25/661385425.db2.gz JEFLYBJAWBATAL-UHFFFAOYSA-N -1 0 364.811 -0.067 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2ccnc3ccnn32)CC1 ZINC000860495589 661385335 /nfs/dbraw/zinc/38/53/35/661385335.db2.gz LIDPMAHAVOGPQB-UHFFFAOYSA-N -1 0 367.387 -0.411 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCCCC1)c1ccnc(N2CCOCC2)n1 ZINC000860495646 661385368 /nfs/dbraw/zinc/38/53/68/661385368.db2.gz MVMYCAPXENQADB-UHFFFAOYSA-N -1 0 355.420 -0.226 20 0 FBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000860496026 661385415 /nfs/dbraw/zinc/38/54/15/661385415.db2.gz RLUQLBMVEWXCIY-UHFFFAOYSA-N -1 0 362.452 -0.747 20 0 FBADRM CN1CC(=O)Nc2cc(C(=O)[N-]S(=O)(=O)N3CCCCC3)cnc21 ZINC000860496214 661385433 /nfs/dbraw/zinc/38/54/33/661385433.db2.gz UZDTUSSGEHOHLM-UHFFFAOYSA-N -1 0 353.404 -0.070 20 0 FBADRM Cn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)N3CCCCC3)CC2=O)cn1 ZINC000860496770 661385608 /nfs/dbraw/zinc/38/56/08/661385608.db2.gz XTXFSZYKNPUDJN-LLVKDONJSA-N -1 0 355.420 -0.380 20 0 FBADRM Cn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)N3CCCCC3)CC2=O)cn1 ZINC000860496772 661385602 /nfs/dbraw/zinc/38/56/02/661385602.db2.gz XTXFSZYKNPUDJN-NSHDSACASA-N -1 0 355.420 -0.380 20 0 FBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1)C(C)C ZINC000860500217 661385553 /nfs/dbraw/zinc/38/55/53/661385553.db2.gz ADQIZZMPZQAIDY-CYBMUJFWSA-N -1 0 370.431 -0.180 20 0 FBADRM NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C3CC3)nn2)cc1 ZINC000860501260 661385530 /nfs/dbraw/zinc/38/55/30/661385530.db2.gz MHFWAKJTDQCSRF-UHFFFAOYSA-N -1 0 364.387 -0.100 20 0 FBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000860501755 661385654 /nfs/dbraw/zinc/38/56/54/661385654.db2.gz PYPRIXNCDABNCB-LBPRGKRZSA-N -1 0 356.404 -0.570 20 0 FBADRM NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)COCC(F)F)cc1 ZINC000860502116 661385664 /nfs/dbraw/zinc/38/56/64/661385664.db2.gz ROFHBZSTWQDHNP-UHFFFAOYSA-N -1 0 351.331 -0.059 20 0 FBADRM COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)cc1 ZINC000860504425 661385647 /nfs/dbraw/zinc/38/56/47/661385647.db2.gz JXZRATOOYMWCOJ-NEPJUHHUSA-N -1 0 370.383 -0.548 20 0 FBADRM CCN1C(=O)CO[C@H](C(=O)[N-]S(=O)(=O)C(C)C)[C@H]1c1nccn1C ZINC000860507880 661385508 /nfs/dbraw/zinc/38/55/08/661385508.db2.gz DIRISGFOQNOXTM-RYUDHWBXSA-N -1 0 358.420 -0.437 20 0 FBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)O1 ZINC000860507887 661385558 /nfs/dbraw/zinc/38/55/58/661385558.db2.gz DPFPKXMYIVLZQE-RQJHMYQMSA-N -1 0 351.768 -0.401 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](NC=O)C(C)C)s1 ZINC000860507935 661385524 /nfs/dbraw/zinc/38/55/24/661385524.db2.gz GLILGDWEENZGPW-LBPRGKRZSA-N -1 0 361.445 -0.040 20 0 FBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)c1 ZINC000860508367 661385651 /nfs/dbraw/zinc/38/56/51/661385651.db2.gz PKFSRTBYCQNYTP-UHFFFAOYSA-N -1 0 361.767 -0.438 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2cn(C[C@H]3CCOC3)nn2)c1Cl ZINC000860508494 661385516 /nfs/dbraw/zinc/38/55/16/661385516.db2.gz QJOKXKROIVFHBR-MRVPVSSYSA-N -1 0 374.810 -0.180 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2cn(C[C@@H]3CCOC3)nn2)c1Cl ZINC000860508495 661385638 /nfs/dbraw/zinc/38/56/38/661385638.db2.gz QJOKXKROIVFHBR-QMMMGPOBSA-N -1 0 374.810 -0.180 20 0 FBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)C1=O ZINC000860508945 661385618 /nfs/dbraw/zinc/38/56/18/661385618.db2.gz PFXIPMTZRIGWHV-UHFFFAOYSA-N -1 0 360.779 -0.425 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)O1 ZINC000860508975 661385597 /nfs/dbraw/zinc/38/55/97/661385597.db2.gz PQURJBOPAAMJIA-QWHCGFSZSA-N -1 0 364.383 -0.290 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COC(=O)N2)s1 ZINC000860509043 661385593 /nfs/dbraw/zinc/38/55/93/661385593.db2.gz QKLXLWNZTGAIBM-VIFPVBQESA-N -1 0 361.401 -0.660 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2c(Cl)nc3ccccn32)O1 ZINC000860509369 661385641 /nfs/dbraw/zinc/38/56/41/661385641.db2.gz TZUGTNPRZADQSC-JGVFFNPUSA-N -1 0 372.790 -0.175 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)c1 ZINC000860510743 661385581 /nfs/dbraw/zinc/38/55/81/661385581.db2.gz BUZPFJOLGXJYHF-UHFFFAOYSA-N -1 0 369.355 -0.828 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)c1 ZINC000860511417 661385674 /nfs/dbraw/zinc/38/56/74/661385674.db2.gz LWCLKMOTSRNFTI-MNOVXSKESA-N -1 0 356.356 -0.689 20 0 FBADRM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)OC)O2)c1 ZINC000860511862 661385623 /nfs/dbraw/zinc/38/56/23/661385623.db2.gz WJFNUSJFKADTSO-NEPJUHHUSA-N -1 0 371.367 -0.001 20 0 FBADRM CCN1C(=O)CO[C@H](C(=O)[N-]S(=O)(=O)CC(C)C)[C@H]1c1nccn1C ZINC000860514312 661385657 /nfs/dbraw/zinc/38/56/57/661385657.db2.gz VDAYMZHMEDKZPF-STQMWFEESA-N -1 0 372.447 -0.190 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1)[C@@H]1COC(=O)N1 ZINC000860517169 661385545 /nfs/dbraw/zinc/38/55/45/661385545.db2.gz AMXXIISCGMZCHM-ZDUSSCGKSA-N -1 0 368.415 -0.726 20 0 FBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)N2CCCc3ccccc32)C1=O ZINC000860517383 661385538 /nfs/dbraw/zinc/38/55/38/661385538.db2.gz IDRZZZGTKAXDTK-UHFFFAOYSA-N -1 0 366.399 -0.306 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860517823 661385632 /nfs/dbraw/zinc/38/56/32/661385632.db2.gz CEUZTOBTPCCIFE-MVIRXUPPSA-N -1 0 359.400 -0.278 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860517824 661385627 /nfs/dbraw/zinc/38/56/27/661385627.db2.gz CEUZTOBTPCCIFE-XRHZXQNYSA-N -1 0 359.400 -0.278 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)N2CCCc3ccccc32)O1 ZINC000860517886 661385652 /nfs/dbraw/zinc/38/56/52/661385652.db2.gz VBMVWHZXYQMXRL-QWHCGFSZSA-N -1 0 353.400 -0.167 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1ccnc(N2CCOCC2)n1 ZINC000860518163 661385605 /nfs/dbraw/zinc/38/56/05/661385605.db2.gz GQAJSNSQUXHCPZ-GFCCVEGCSA-N -1 0 370.431 -0.058 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1ccnc(N2CCOCC2)n1 ZINC000860518164 661385635 /nfs/dbraw/zinc/38/56/35/661385635.db2.gz GQAJSNSQUXHCPZ-LBPRGKRZSA-N -1 0 370.431 -0.058 20 0 FBADRM Cn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]3CCCCO3)CC2=O)cn1 ZINC000860518296 661385861 /nfs/dbraw/zinc/38/58/61/661385861.db2.gz JOFQNDJFJKYKFH-AAEUAGOBSA-N -1 0 370.431 -0.212 20 0 FBADRM Cn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)C[C@H]3CCCCO3)CC2=O)cn1 ZINC000860518297 661385785 /nfs/dbraw/zinc/38/57/85/661385785.db2.gz JOFQNDJFJKYKFH-DGCLKSJQSA-N -1 0 370.431 -0.212 20 0 FBADRM Cn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]3CCCCO3)CC2=O)cn1 ZINC000860518298 661385867 /nfs/dbraw/zinc/38/58/67/661385867.db2.gz JOFQNDJFJKYKFH-WCQYABFASA-N -1 0 370.431 -0.212 20 0 FBADRM Cn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]3CCCCO3)CC2=O)cn1 ZINC000860518299 661385844 /nfs/dbraw/zinc/38/58/44/661385844.db2.gz JOFQNDJFJKYKFH-YPMHNXCESA-N -1 0 370.431 -0.212 20 0 FBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)N2CCc3ccccc32)C1=O ZINC000860518454 661385788 /nfs/dbraw/zinc/38/57/88/661385788.db2.gz COUPYOGZONOBFG-UHFFFAOYSA-N -1 0 352.372 -0.696 20 0 FBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)N2CCc3ccccc3C2)C1=O ZINC000860518731 661385879 /nfs/dbraw/zinc/38/58/79/661385879.db2.gz QLLWNRFKTBHZMI-UHFFFAOYSA-N -1 0 366.399 -0.700 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)N2CCc3sccc3C2)O1 ZINC000860518908 661385852 /nfs/dbraw/zinc/38/58/52/661385852.db2.gz JVPDAASRWVRRBO-VHSXEESVSA-N -1 0 359.429 -0.500 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)N2CCc3ccccc3C2)O1 ZINC000860518957 661385886 /nfs/dbraw/zinc/38/58/86/661385886.db2.gz UHEOHZCJZRQTKD-QWHCGFSZSA-N -1 0 353.400 -0.561 20 0 FBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)N2CCc3sccc3C2)C1=O ZINC000860519332 661385832 /nfs/dbraw/zinc/38/58/32/661385832.db2.gz PKLVGHDJBJUHDO-UHFFFAOYSA-N -1 0 372.428 -0.639 20 0 FBADRM C[C@@H](CNC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1)S(N)(=O)=O ZINC000860527491 661385823 /nfs/dbraw/zinc/38/58/23/661385823.db2.gz NUONMILYUMWUGF-LURJTMIESA-N -1 0 357.310 -0.135 20 0 FBADRM C[C@H](CNC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1)S(N)(=O)=O ZINC000860527495 661385805 /nfs/dbraw/zinc/38/58/05/661385805.db2.gz NUONMILYUMWUGF-ZCFIWIBFSA-N -1 0 357.310 -0.135 20 0 FBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)[N-]S(=O)(=O)N(C)C(C)C ZINC000860529984 661385863 /nfs/dbraw/zinc/38/58/63/661385863.db2.gz ZZKCZTIGBLCFCG-UHFFFAOYSA-N -1 0 364.468 -0.503 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C(C)C ZINC000860531045 661385817 /nfs/dbraw/zinc/38/58/17/661385817.db2.gz DJJOVOXHVOOWOY-NWDGAFQWSA-N -1 0 363.436 -0.464 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C(C)C ZINC000860531046 661385764 /nfs/dbraw/zinc/38/57/64/661385764.db2.gz DJJOVOXHVOOWOY-VXGBXAGGSA-N -1 0 363.436 -0.464 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cn2c(n1)COCC2 ZINC000860531473 661385868 /nfs/dbraw/zinc/38/58/68/661385868.db2.gz OQBTWVGGZGHSST-LLVKDONJSA-N -1 0 372.403 -0.585 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cn2c(n1)COCC2 ZINC000860531474 661385878 /nfs/dbraw/zinc/38/58/78/661385878.db2.gz OQBTWVGGZGHSST-NSHDSACASA-N -1 0 372.403 -0.585 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccnc2ccnn21 ZINC000860531775 661385751 /nfs/dbraw/zinc/38/57/51/661385751.db2.gz VZXXOCFSEXMZHH-LLVKDONJSA-N -1 0 367.387 -0.269 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccnc2ccnn21 ZINC000860531776 661385822 /nfs/dbraw/zinc/38/58/22/661385822.db2.gz VZXXOCFSEXMZHH-NSHDSACASA-N -1 0 367.387 -0.269 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cn(C2CC2)nn1 ZINC000860531786 661385838 /nfs/dbraw/zinc/38/58/38/661385838.db2.gz WEAYLZMPOSKDDC-LLVKDONJSA-N -1 0 357.392 -0.385 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cn(C2CC2)nn1 ZINC000860531787 661385872 /nfs/dbraw/zinc/38/58/72/661385872.db2.gz WEAYLZMPOSKDDC-NSHDSACASA-N -1 0 357.392 -0.385 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(OCc2nc(C)no2)nc1 ZINC000860536905 661386067 /nfs/dbraw/zinc/38/60/67/661386067.db2.gz GTDCIFOMXRTRAG-UHFFFAOYSA-N -1 0 370.343 -0.415 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000860536932 661386030 /nfs/dbraw/zinc/38/60/30/661386030.db2.gz HRMAISKYWZAWDH-MFKMUULPSA-N -1 0 355.372 -0.780 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000860537428 661386083 /nfs/dbraw/zinc/38/60/83/661386083.db2.gz OKVUUAJKZBPAFK-UHFFFAOYSA-N -1 0 370.383 -0.608 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C ZINC000860537654 661386049 /nfs/dbraw/zinc/38/60/49/661386049.db2.gz RFABSHKTYWECDI-WCBMZHEXSA-N -1 0 366.392 -0.712 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O ZINC000860537827 661386113 /nfs/dbraw/zinc/38/61/13/661386113.db2.gz WFYUWZOATOSBRA-UHFFFAOYSA-N -1 0 365.452 -0.722 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000860538036 661386103 /nfs/dbraw/zinc/38/61/03/661386103.db2.gz VZZKSHSUOVWACU-GFCCVEGCSA-N -1 0 354.384 -0.232 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000860538037 661386055 /nfs/dbraw/zinc/38/60/55/661386055.db2.gz VZZKSHSUOVWACU-LBPRGKRZSA-N -1 0 354.384 -0.232 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000860538334 661386063 /nfs/dbraw/zinc/38/60/63/661386063.db2.gz DUAKBAGPOSWYIA-UHFFFAOYSA-N -1 0 356.400 -0.135 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C ZINC000860538502 661386070 /nfs/dbraw/zinc/38/60/70/661386070.db2.gz IYFSXHUELZTLRF-VHSXEESVSA-N -1 0 352.409 -0.239 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000860538808 661386010 /nfs/dbraw/zinc/38/60/10/661386010.db2.gz AAWDDDRTPKCQBY-JTQLQIEISA-N -1 0 363.436 -0.080 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000860538809 661386073 /nfs/dbraw/zinc/38/60/73/661386073.db2.gz AAWDDDRTPKCQBY-SNVBAGLBSA-N -1 0 363.436 -0.080 20 0 FBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)O1 ZINC000860540836 661386200 /nfs/dbraw/zinc/38/62/00/661386200.db2.gz MCAYFDAVSCHYOB-NEPJUHHUSA-N -1 0 370.383 -0.381 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cn3c(n2)COCC3)cc1C(N)=O ZINC000860540936 661386194 /nfs/dbraw/zinc/38/61/94/661386194.db2.gz PGFHJFBJCWRAJU-UHFFFAOYSA-N -1 0 364.383 -0.061 20 0 FBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)O1 ZINC000860541114 661386209 /nfs/dbraw/zinc/38/62/09/661386209.db2.gz ROBHVESWLZWXGV-RQJHMYQMSA-N -1 0 362.385 -0.628 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O ZINC000860544457 661386192 /nfs/dbraw/zinc/38/61/92/661386192.db2.gz GAHDGLHZPZXYIQ-SECBINFHSA-N -1 0 365.452 -0.723 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O ZINC000860544458 661386288 /nfs/dbraw/zinc/38/62/88/661386288.db2.gz GAHDGLHZPZXYIQ-VIFPVBQESA-N -1 0 365.452 -0.723 20 0 FBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000860544857 661386252 /nfs/dbraw/zinc/38/62/52/661386252.db2.gz BEWNEYAGHHWARS-JTQLQIEISA-N -1 0 363.436 -0.969 20 0 FBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000860544861 661386309 /nfs/dbraw/zinc/38/63/09/661386309.db2.gz BEWNEYAGHHWARS-SNVBAGLBSA-N -1 0 363.436 -0.969 20 0 FBADRM CCN1C(=O)CO[C@H](C(=O)[N-]S(=O)(=O)CC2CC2)[C@H]1c1nccn1C ZINC000860544863 661386175 /nfs/dbraw/zinc/38/61/75/661386175.db2.gz UUGDDSDYYDKJJE-STQMWFEESA-N -1 0 370.431 -0.436 20 0 FBADRM Cc1ccnc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)c1 ZINC000860546256 661386187 /nfs/dbraw/zinc/38/61/87/661386187.db2.gz DIOLVUKQAIPGRW-ADGXKJENSA-N -1 0 352.368 -0.084 20 0 FBADRM Cc1ccnc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)c1 ZINC000860546425 661386295 /nfs/dbraw/zinc/38/62/95/661386295.db2.gz GVVUFQCLWJXXAZ-LLVKDONJSA-N -1 0 363.399 -0.018 20 0 FBADRM Cc1ccnc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)c1 ZINC000860546428 661386292 /nfs/dbraw/zinc/38/62/92/661386292.db2.gz GVVUFQCLWJXXAZ-NSHDSACASA-N -1 0 363.399 -0.018 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000860546489 661386294 /nfs/dbraw/zinc/38/62/94/661386294.db2.gz LGNZAEXPWDQDSV-AXFHLTTASA-N -1 0 364.420 -0.097 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000860546490 661386285 /nfs/dbraw/zinc/38/62/85/661386285.db2.gz LGNZAEXPWDQDSV-MXWKQRLJSA-N -1 0 364.420 -0.097 20 0 FBADRM CN1C(=O)C[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)[C@H]1c1cccnc1 ZINC000860546635 661386279 /nfs/dbraw/zinc/38/62/79/661386279.db2.gz NHTPOCNLBVXHPT-MBNYWOFBSA-N -1 0 353.400 -0.164 20 0 FBADRM CN1C(=O)C[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)[C@H]1c1cccnc1 ZINC000860546636 661386242 /nfs/dbraw/zinc/38/62/42/661386242.db2.gz NHTPOCNLBVXHPT-SGMGOOAPSA-N -1 0 353.400 -0.164 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cnc2c(c1)NC(=O)CN2C ZINC000860549704 661386180 /nfs/dbraw/zinc/38/61/80/661386180.db2.gz HXPZSBIYYWXWCS-UHFFFAOYSA-N -1 0 370.387 -0.517 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC000860550059 661386275 /nfs/dbraw/zinc/38/62/75/661386275.db2.gz LVQNWUKBIPXNHY-GFCCVEGCSA-N -1 0 354.384 -0.087 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H]1CNC(=O)c2ccccc21 ZINC000860550061 661386277 /nfs/dbraw/zinc/38/62/77/661386277.db2.gz LVQNWUKBIPXNHY-LBPRGKRZSA-N -1 0 354.384 -0.087 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000860550323 661386281 /nfs/dbraw/zinc/38/62/81/661386281.db2.gz PRKVGJUCDROMKO-JTQLQIEISA-N -1 0 360.392 -0.673 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000860550324 661386307 /nfs/dbraw/zinc/38/63/07/661386307.db2.gz PRKVGJUCDROMKO-SNVBAGLBSA-N -1 0 360.392 -0.673 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860550378 661386298 /nfs/dbraw/zinc/38/62/98/661386298.db2.gz RFUCSYJKNCWUEW-GCDPNZCJSA-N -1 0 361.372 -0.894 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccnc(N2CCOCC2)n1 ZINC000860550405 661386222 /nfs/dbraw/zinc/38/62/22/661386222.db2.gz UJDBBUGMKIPQDB-UHFFFAOYSA-N -1 0 372.403 -0.674 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000860550411 661386472 /nfs/dbraw/zinc/38/64/72/661386472.db2.gz UNZXFPHZMRXHGA-JTQLQIEISA-N -1 0 370.449 -0.943 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000860550733 661386518 /nfs/dbraw/zinc/38/65/18/661386518.db2.gz YIWZDATZXOTRMT-JTQLQIEISA-N -1 0 372.403 -0.828 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000860550734 661386451 /nfs/dbraw/zinc/38/64/51/661386451.db2.gz YIWZDATZXOTRMT-SNVBAGLBSA-N -1 0 372.403 -0.828 20 0 FBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)[N-]S(=O)(=O)c1ccccn1 ZINC000860552304 661386505 /nfs/dbraw/zinc/38/65/05/661386505.db2.gz NEXKRLQQYWGNLA-UHFFFAOYSA-N -1 0 370.431 -0.304 20 0 FBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000860553058 661386554 /nfs/dbraw/zinc/38/65/54/661386554.db2.gz CXLHKWYKXTXDNJ-LBPRGKRZSA-N -1 0 362.429 -0.334 20 0 FBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000860553346 661386465 /nfs/dbraw/zinc/38/64/65/661386465.db2.gz KAIIZXJTOCOKPD-ZDUSSCGKSA-N -1 0 355.416 -0.036 20 0 FBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000860554772 661386512 /nfs/dbraw/zinc/38/65/12/661386512.db2.gz ANVNCHHJWHURLS-ZDUSSCGKSA-N -1 0 353.400 -0.452 20 0 FBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C(C)C ZINC000860555696 661386468 /nfs/dbraw/zinc/38/64/68/661386468.db2.gz NASIJJCKQWDZBJ-CQSZACIVSA-N -1 0 367.427 -0.062 20 0 FBADRM CCCS(=O)(=O)[N-]C(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1nccn1C ZINC000860558486 661386406 /nfs/dbraw/zinc/38/64/06/661386406.db2.gz TWMYKXLGEAFXHT-VXGBXAGGSA-N -1 0 358.420 -0.436 20 0 FBADRM Cc1cn(CC(=O)[N-]S(=O)(=O)N2CCOCC2)nc1C(F)(F)F ZINC000860567457 661386422 /nfs/dbraw/zinc/38/64/22/661386422.db2.gz DYVGZIVCYCFNPL-UHFFFAOYSA-N -1 0 356.326 -0.096 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O ZINC000860567832 661386438 /nfs/dbraw/zinc/38/64/38/661386438.db2.gz QLNCIRQVCKDDFN-UHFFFAOYSA-N -1 0 350.441 -0.891 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C ZINC000860568045 661386509 /nfs/dbraw/zinc/38/65/09/661386509.db2.gz VXKUKQOWISLCOM-VHSXEESVSA-N -1 0 351.425 -0.019 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1nccn1C ZINC000860568143 661386394 /nfs/dbraw/zinc/38/63/94/661386394.db2.gz XXWVAOWYHIJZGM-VXGBXAGGSA-N -1 0 373.435 -0.979 20 0 FBADRM Cn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)CC(F)(F)F)CC2=O)cn1 ZINC000860568606 661386516 /nfs/dbraw/zinc/38/65/16/661386516.db2.gz CRUSGKOERJNMLG-SSDOTTSWSA-N -1 0 354.310 -0.219 20 0 FBADRM Cn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)CC(F)(F)F)CC2=O)cn1 ZINC000860568607 661386403 /nfs/dbraw/zinc/38/64/03/661386403.db2.gz CRUSGKOERJNMLG-ZETCQYMHSA-N -1 0 354.310 -0.219 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cccc(Cn2cncn2)c1 ZINC000860568893 661386536 /nfs/dbraw/zinc/38/65/36/661386536.db2.gz FUVLRUSSRSROGY-UHFFFAOYSA-N -1 0 351.388 -0.367 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cncc(N2CCCC2=O)c1 ZINC000860569329 661386383 /nfs/dbraw/zinc/38/63/83/661386383.db2.gz KRJWUEMSHRKNFA-UHFFFAOYSA-N -1 0 354.388 -0.485 20 0 FBADRM Cc1oc(S(C)(=O)=O)cc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000860569602 661386533 /nfs/dbraw/zinc/38/65/33/661386533.db2.gz NPZREVSRDAWRRF-UHFFFAOYSA-N -1 0 352.390 -0.702 20 0 FBADRM CS(=O)(=O)c1ccc(/C=C/C(=O)[N-]S(=O)(=O)N2CCOCC2)o1 ZINC000860569936 661386457 /nfs/dbraw/zinc/38/64/57/661386457.db2.gz ROINKTPIEPWIPP-DUXPYHPUSA-N -1 0 364.401 -0.611 20 0 FBADRM CS(=O)(=O)c1ccc(/C=C\C(=O)[N-]S(=O)(=O)N2CCOCC2)o1 ZINC000860569937 661386412 /nfs/dbraw/zinc/38/64/12/661386412.db2.gz ROINKTPIEPWIPP-RQOWECAXSA-N -1 0 364.401 -0.611 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000860569946 661386494 /nfs/dbraw/zinc/38/64/94/661386494.db2.gz RVMBMACZXYKBOQ-AWEZNQCLSA-N -1 0 367.427 -0.158 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000860569947 661386389 /nfs/dbraw/zinc/38/63/89/661386389.db2.gz RVMBMACZXYKBOQ-CQSZACIVSA-N -1 0 367.427 -0.158 20 0 FBADRM O=C([N-]S(=O)(=O)CC(F)(F)F)c1ccnc(N2CCOCC2)n1 ZINC000860570171 661386486 /nfs/dbraw/zinc/38/64/86/661386486.db2.gz UPHGHEJKRIQSTH-UHFFFAOYSA-N -1 0 354.310 -0.065 20 0 FBADRM CN1C(=O)C[C@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)[C@H]1c1cccnc1 ZINC000860570202 661386461 /nfs/dbraw/zinc/38/64/61/661386461.db2.gz TXMHWFCYDBZJJO-GXTWGEPZSA-N -1 0 368.415 -0.706 20 0 FBADRM Cc1cc(C2(C(=O)[N-]S(=O)(=O)N3CCOCC3)CCOCC2)on1 ZINC000860570548 661386540 /nfs/dbraw/zinc/38/65/40/661386540.db2.gz XYWCYHFNPLYXPO-UHFFFAOYSA-N -1 0 359.404 -0.276 20 0 FBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)CCOc2ccccc2)C1=O ZINC000860572177 661386725 /nfs/dbraw/zinc/38/67/25/661386725.db2.gz OFAKUOKMGTWRGD-UHFFFAOYSA-N -1 0 355.372 -0.595 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1ccon1)c1ccnc(N2CCOCC2)n1 ZINC000860580971 661386669 /nfs/dbraw/zinc/38/66/69/661386669.db2.gz LELKPWGVBJTFFT-UHFFFAOYSA-N -1 0 353.360 -0.439 20 0 FBADRM Cn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)Cc3ccon3)CC2=O)cn1 ZINC000860581840 661386646 /nfs/dbraw/zinc/38/66/46/661386646.db2.gz UOAIZMHNQYXNHA-SECBINFHSA-N -1 0 353.360 -0.593 20 0 FBADRM Cn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)Cc3ccon3)CC2=O)cn1 ZINC000860581842 661386732 /nfs/dbraw/zinc/38/67/32/661386732.db2.gz UOAIZMHNQYXNHA-VIFPVBQESA-N -1 0 353.360 -0.593 20 0 FBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)[N-]S(=O)(=O)CCCF ZINC000860581876 661386676 /nfs/dbraw/zinc/38/66/76/661386676.db2.gz KRXDQRDYMXYRCK-UHFFFAOYSA-N -1 0 353.416 -0.399 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)cn1 ZINC000860588112 661386738 /nfs/dbraw/zinc/38/67/38/661386738.db2.gz BFKDPIZNGULGNK-NJBDSQKTSA-N -1 0 355.372 -0.572 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2ccnc(N3CCOCC3)n2)cn1 ZINC000860588198 661386753 /nfs/dbraw/zinc/38/67/53/661386753.db2.gz CBFIWSLTDBMJGF-UHFFFAOYSA-N -1 0 366.403 -0.352 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)cn1 ZINC000860588914 661386625 /nfs/dbraw/zinc/38/66/25/661386625.db2.gz LXLHQUGNXIKURD-JTQLQIEISA-N -1 0 366.403 -0.506 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)cn1 ZINC000860588917 661386660 /nfs/dbraw/zinc/38/66/60/661386660.db2.gz LXLHQUGNXIKURD-SNVBAGLBSA-N -1 0 366.403 -0.506 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cnc3c(c2)NC(=O)CN3C)cn1 ZINC000860589975 661386722 /nfs/dbraw/zinc/38/67/22/661386722.db2.gz RPVPXUJVGPWEIG-UHFFFAOYSA-N -1 0 364.387 -0.195 20 0 FBADRM Cc1cc(S(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)c(F)cc1F ZINC000860595807 661386747 /nfs/dbraw/zinc/38/67/47/661386747.db2.gz DRVMECMCMYKWOC-UHFFFAOYSA-N -1 0 361.326 -0.028 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)oc1C ZINC000860596888 661386635 /nfs/dbraw/zinc/38/66/35/661386635.db2.gz BRLVMEVPKNEOMZ-UHFFFAOYSA-N -1 0 354.406 -0.456 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)c(C)o1 ZINC000860596917 661386717 /nfs/dbraw/zinc/38/67/17/661386717.db2.gz BVVWHHKWIJWWRO-UHFFFAOYSA-N -1 0 354.406 -0.456 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cnc2c(c1)NC(=O)CN2C ZINC000860597477 661386689 /nfs/dbraw/zinc/38/66/89/661386689.db2.gz GERSJHQLXOPUFV-UHFFFAOYSA-N -1 0 357.392 -0.977 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cncc(N2CCCC2=O)c1 ZINC000860597955 661386708 /nfs/dbraw/zinc/38/67/08/661386708.db2.gz JHAPPHIFGAKNKG-UHFFFAOYSA-N -1 0 356.404 -0.239 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)C1(c2cc(C)no2)CCOCC1 ZINC000860598320 661386838 /nfs/dbraw/zinc/38/68/38/661386838.db2.gz LVGVMQQRARYVQK-UHFFFAOYSA-N -1 0 361.420 -0.030 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000860598326 661386923 /nfs/dbraw/zinc/38/69/23/661386923.db2.gz MBYAMDKLBJHORF-OCCSQVGLSA-N -1 0 370.431 -0.460 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)N(C)C(=O)CO2 ZINC000860598618 661386940 /nfs/dbraw/zinc/38/69/40/661386940.db2.gz PHCVTQZDHNGNJA-UHFFFAOYSA-N -1 0 357.388 -0.405 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(Cn2ccnn2)cc1 ZINC000860598720 661387002 /nfs/dbraw/zinc/38/70/02/661387002.db2.gz RJKYKVXAJACQNF-UHFFFAOYSA-N -1 0 353.404 -0.121 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(Cn2cncn2)c1 ZINC000860598726 661386918 /nfs/dbraw/zinc/38/69/18/661386918.db2.gz RKXNGGFCPVQESA-UHFFFAOYSA-N -1 0 353.404 -0.121 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)/C=C/c1ccc(S(C)(=O)=O)o1 ZINC000860599030 661386825 /nfs/dbraw/zinc/38/68/25/661386825.db2.gz VLYJUXACPICJQN-GQCTYLIASA-N -1 0 366.417 -0.365 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)/C=C\c1ccc(S(C)(=O)=O)o1 ZINC000860599031 661386934 /nfs/dbraw/zinc/38/69/34/661386934.db2.gz VLYJUXACPICJQN-XQRVVYSFSA-N -1 0 366.417 -0.365 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O ZINC000860599837 661386901 /nfs/dbraw/zinc/38/69/01/661386901.db2.gz VKDLVDVPFBMUBE-UHFFFAOYSA-N -1 0 364.468 -0.501 20 0 FBADRM Cn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)c3cnccn3)CC2=O)cn1 ZINC000860600395 661386905 /nfs/dbraw/zinc/38/69/05/661386905.db2.gz HIRKXORZOWCUNO-SECBINFHSA-N -1 0 350.360 -0.932 20 0 FBADRM Cn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)c3cnccn3)CC2=O)cn1 ZINC000860600401 661386976 /nfs/dbraw/zinc/38/69/76/661386976.db2.gz HIRKXORZOWCUNO-VIFPVBQESA-N -1 0 350.360 -0.932 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000860600491 661386931 /nfs/dbraw/zinc/38/69/31/661386931.db2.gz JHQZTWTUZLCYHF-KOLCDFICSA-N -1 0 372.403 -0.036 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnccn1)c1ccnc(N2CCOCC2)n1 ZINC000860601709 661386887 /nfs/dbraw/zinc/38/68/87/661386887.db2.gz SJCZABOTKZFOEG-UHFFFAOYSA-N -1 0 350.360 -0.778 20 0 FBADRM CN1C(=O)C[C@H](C(=O)[N-]S(=O)(=O)c2cnccn2)[C@H]1c1cccnc1 ZINC000860601996 661386860 /nfs/dbraw/zinc/38/68/60/661386860.db2.gz WOGOUDJQYCOAPJ-SMDDNHRTSA-N -1 0 361.383 -0.104 20 0 FBADRM CN1CCCc2ccc(S(=O)(=O)[N-]C(=O)[C@@H]3CC[C@H](C(N)=O)O3)cc21 ZINC000860602896 661386884 /nfs/dbraw/zinc/38/68/84/661386884.db2.gz AJYOPNJMPAMOSJ-KGLIPLIRSA-N -1 0 367.427 -0.093 20 0 FBADRM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)cc1F ZINC000860605530 661386998 /nfs/dbraw/zinc/38/69/98/661386998.db2.gz JNFUYSXQKBDXEX-UHFFFAOYSA-N -1 0 361.326 -0.028 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)cc1N(C)C ZINC000860608364 661386849 /nfs/dbraw/zinc/38/68/49/661386849.db2.gz AVPVPPLTGXEWII-UHFFFAOYSA-N -1 0 368.415 -0.240 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)cc1N(C)C ZINC000860610925 661386958 /nfs/dbraw/zinc/38/69/58/661386958.db2.gz XASMRJFEVOOYIE-OLZOCXBDSA-N -1 0 355.416 -0.101 20 0 FBADRM O=C(CCS(=O)(=O)[N-]C(=O)[C@@H]1COC(=O)N1)OCc1ccccc1 ZINC000860611569 661386843 /nfs/dbraw/zinc/38/68/43/661386843.db2.gz RHQFUCFIPUQYBW-NSHDSACASA-N -1 0 356.356 -0.326 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC000860612718 661386965 /nfs/dbraw/zinc/38/69/65/661386965.db2.gz INNGQIRVCOUVHJ-CYBMUJFWSA-N -1 0 356.400 -0.377 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CNC(=O)c2ccccc21 ZINC000860612719 661386908 /nfs/dbraw/zinc/38/69/08/661386908.db2.gz INNGQIRVCOUVHJ-ZDUSSCGKSA-N -1 0 356.400 -0.377 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)oc1C ZINC000860612789 661387147 /nfs/dbraw/zinc/38/71/47/661387147.db2.gz KBWPMISDWXIQOS-UHFFFAOYSA-N -1 0 369.417 -0.286 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@]1(C2CCCC2)CCNC1=O ZINC000860612800 661387110 /nfs/dbraw/zinc/38/71/10/661387110.db2.gz KHKIERWYZOQFIP-HNNXBMFYSA-N -1 0 362.448 -0.208 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC000860612801 661387146 /nfs/dbraw/zinc/38/71/46/661387146.db2.gz KHKIERWYZOQFIP-OAHLLOKOSA-N -1 0 362.448 -0.208 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cnc2c(c1)NC(=O)CN2C ZINC000860612832 661387125 /nfs/dbraw/zinc/38/71/25/661387125.db2.gz LCEKUUFJNXGZFI-UHFFFAOYSA-N -1 0 372.403 -0.808 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cncc(N2CCCC2=O)c1 ZINC000860612948 661387123 /nfs/dbraw/zinc/38/71/23/661387123.db2.gz NWBLRTJVMUHWFV-UHFFFAOYSA-N -1 0 371.415 -0.069 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccnc(N2CCOCC2)n1 ZINC000860613097 661387121 /nfs/dbraw/zinc/38/71/21/661387121.db2.gz SPVBSFSJWXIFKC-UHFFFAOYSA-N -1 0 374.419 -0.964 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)N(C)C(=O)CO2 ZINC000860613219 661387130 /nfs/dbraw/zinc/38/71/30/661387130.db2.gz XNOSBJKHHCQQMC-UHFFFAOYSA-N -1 0 372.399 -0.236 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)c(C)o1 ZINC000860613243 661387149 /nfs/dbraw/zinc/38/71/49/661387149.db2.gz YHVXDKKUQJLTCC-UHFFFAOYSA-N -1 0 369.417 -0.286 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)[N-]C(=O)[C@@H]2COC(=O)N2)C1 ZINC000860615462 661387142 /nfs/dbraw/zinc/38/71/42/661387142.db2.gz SBPMEAWAAYYXCM-BDAKNGLRSA-N -1 0 363.392 -0.450 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)[N-]C(=O)[C@@H]2COC(=O)N2)C1 ZINC000860615464 661387184 /nfs/dbraw/zinc/38/71/84/661387184.db2.gz SBPMEAWAAYYXCM-IUCAKERBSA-N -1 0 363.392 -0.450 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)O1 ZINC000860617257 661387180 /nfs/dbraw/zinc/38/71/80/661387180.db2.gz LOLPBGNDBCOOBC-JGVFFNPUSA-N -1 0 367.305 -0.062 20 0 FBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)Cc2c(F)cccc2F)C1=O ZINC000860619250 661387141 /nfs/dbraw/zinc/38/71/41/661387141.db2.gz QMSFPKMFZUTTGU-UHFFFAOYSA-N -1 0 361.326 -0.195 20 0 FBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)c2cn(C(C)C)cn2)c1 ZINC000860624535 661387092 /nfs/dbraw/zinc/38/70/92/661387092.db2.gz BOVCKTIIUMORRZ-UHFFFAOYSA-N -1 0 355.376 -0.048 20 0 FBADRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)c1 ZINC000860625089 661387156 /nfs/dbraw/zinc/38/71/56/661387156.db2.gz JAEHJNYSUYVXKI-ADGXKJENSA-N -1 0 369.399 -0.011 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000860625269 661387152 /nfs/dbraw/zinc/38/71/52/661387152.db2.gz LVEMGHJOGNRLRQ-MNOVXSKESA-N -1 0 358.420 -0.617 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)CN1CC(=O)N(C)C1=O ZINC000860626422 661387143 /nfs/dbraw/zinc/38/71/43/661387143.db2.gz VSGVSWXSGDMENP-UHFFFAOYSA-N -1 0 371.419 -0.756 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2cn(C3CC3)nn2)s1 ZINC000860629245 661387098 /nfs/dbraw/zinc/38/70/98/661387098.db2.gz KVAGLAXBMLSKGI-UHFFFAOYSA-N -1 0 357.377 -0.458 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C(C)C)s1 ZINC000860629321 661387128 /nfs/dbraw/zinc/38/71/28/661387128.db2.gz LNJKLBPSPISHDS-MRVPVSSYSA-N -1 0 363.421 -0.538 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H](NC=O)C(C)C)nc1 ZINC000860630772 661387162 /nfs/dbraw/zinc/38/71/62/661387162.db2.gz CELUEKJVEHNVQH-LBPRGKRZSA-N -1 0 357.388 -0.166 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)nc1 ZINC000860630952 661387186 /nfs/dbraw/zinc/38/71/86/661387186.db2.gz JUUOBVNDLLKRRM-ZJUUUORDSA-N -1 0 371.371 -0.904 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1ccnc(N2CCOCC2)n1 ZINC000860631202 661387134 /nfs/dbraw/zinc/38/71/34/661387134.db2.gz CEEDSGTVKLNYHM-LLVKDONJSA-N -1 0 356.404 -0.591 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1ccnc(N2CCOCC2)n1 ZINC000860631203 661387177 /nfs/dbraw/zinc/38/71/77/661387177.db2.gz CEEDSGTVKLNYHM-NSHDSACASA-N -1 0 356.404 -0.591 20 0 FBADRM CN1CC(=O)Nc2cc(C(=O)[N-]S(=O)(=O)C[C@@H]3CCOC3)cnc21 ZINC000860631579 661387137 /nfs/dbraw/zinc/38/71/37/661387137.db2.gz HHVXMIKZXJQRMN-SECBINFHSA-N -1 0 354.388 -0.434 20 0 FBADRM CN1CC(=O)Nc2cc(C(=O)[N-]S(=O)(=O)C[C@H]3CCOC3)cnc21 ZINC000860631580 661387081 /nfs/dbraw/zinc/38/70/81/661387081.db2.gz HHVXMIKZXJQRMN-VIFPVBQESA-N -1 0 354.388 -0.434 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000860631697 661387119 /nfs/dbraw/zinc/38/71/19/661387119.db2.gz ICJLGZNRCGOEML-MNOVXSKESA-N -1 0 354.450 -0.860 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)C1 ZINC000860631698 661387172 /nfs/dbraw/zinc/38/71/72/661387172.db2.gz ICJLGZNRCGOEML-QWRGUYRKSA-N -1 0 354.450 -0.860 20 0 FBADRM Cn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]3CCOC3)CC2=O)cn1 ZINC000860631986 661387102 /nfs/dbraw/zinc/38/71/02/661387102.db2.gz OXNPLCNXIDQKCV-GHMZBOCLSA-N -1 0 356.404 -0.745 20 0 FBADRM Cn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]3CCOC3)CC2=O)cn1 ZINC000860631987 661387155 /nfs/dbraw/zinc/38/71/55/661387155.db2.gz OXNPLCNXIDQKCV-MNOVXSKESA-N -1 0 356.404 -0.745 20 0 FBADRM Cn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]3CCOC3)CC2=O)cn1 ZINC000860631988 661387403 /nfs/dbraw/zinc/38/74/03/661387403.db2.gz OXNPLCNXIDQKCV-QWRGUYRKSA-N -1 0 356.404 -0.745 20 0 FBADRM Cn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)C[C@H]3CCOC3)CC2=O)cn1 ZINC000860631989 661387321 /nfs/dbraw/zinc/38/73/21/661387321.db2.gz OXNPLCNXIDQKCV-WDEREUQCSA-N -1 0 356.404 -0.745 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)c2ccccc21 ZINC000860633509 661387387 /nfs/dbraw/zinc/38/73/87/661387387.db2.gz NTXZLZIRGGWADT-UHFFFAOYSA-N -1 0 364.383 -0.123 20 0 FBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)C1=O ZINC000860639888 661387299 /nfs/dbraw/zinc/38/72/99/661387299.db2.gz NEGFNNZGGMHCTN-UHFFFAOYSA-N -1 0 367.383 -0.290 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)O1 ZINC000860640320 661387364 /nfs/dbraw/zinc/38/73/64/661387364.db2.gz UQPAJXQKAJXUAY-QWHCGFSZSA-N -1 0 354.384 -0.151 20 0 FBADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1ccnc(N2CCOCC2)n1 ZINC000860642411 661387336 /nfs/dbraw/zinc/38/73/36/661387336.db2.gz KUHCRPWEXVKULS-LLVKDONJSA-N -1 0 356.404 -0.448 20 0 FBADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1ccnc(N2CCOCC2)n1 ZINC000860642413 661387343 /nfs/dbraw/zinc/38/73/43/661387343.db2.gz KUHCRPWEXVKULS-NSHDSACASA-N -1 0 356.404 -0.448 20 0 FBADRM Cn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]3CCCOC3)CC2=O)cn1 ZINC000860643035 661387318 /nfs/dbraw/zinc/38/73/18/661387318.db2.gz SCXYQQBHJQEXNH-CMPLNLGQSA-N -1 0 356.404 -0.602 20 0 FBADRM Cn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)[C@H]3CCCOC3)CC2=O)cn1 ZINC000860643083 661387294 /nfs/dbraw/zinc/38/72/94/661387294.db2.gz SCXYQQBHJQEXNH-JQWIXIFHSA-N -1 0 356.404 -0.602 20 0 FBADRM Cn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)[C@H]3CCCOC3)CC2=O)cn1 ZINC000860643084 661387288 /nfs/dbraw/zinc/38/72/88/661387288.db2.gz SCXYQQBHJQEXNH-PWSUYJOCSA-N -1 0 356.404 -0.602 20 0 FBADRM Cn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)[C@@H]3CCCOC3)CC2=O)cn1 ZINC000860643086 661387383 /nfs/dbraw/zinc/38/73/83/661387383.db2.gz SCXYQQBHJQEXNH-ZYHUDNBSSA-N -1 0 356.404 -0.602 20 0 FBADRM CN1CC(=O)Nc2cc(C(=O)[N-]S(=O)(=O)[C@H]3CCCOC3)cnc21 ZINC000860643220 661387352 /nfs/dbraw/zinc/38/73/52/661387352.db2.gz USLZWFRBMLIOQD-JTQLQIEISA-N -1 0 354.388 -0.292 20 0 FBADRM CN1CC(=O)Nc2cc(C(=O)[N-]S(=O)(=O)[C@@H]3CCCOC3)cnc21 ZINC000860643221 661387281 /nfs/dbraw/zinc/38/72/81/661387281.db2.gz USLZWFRBMLIOQD-SNVBAGLBSA-N -1 0 354.388 -0.292 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1)[C@@H]1COC(=O)N1 ZINC000860643564 661387346 /nfs/dbraw/zinc/38/73/46/661387346.db2.gz SAEUNYHOOKVOAI-ZETCQYMHSA-N -1 0 369.277 -0.064 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)c1 ZINC000860647547 661387314 /nfs/dbraw/zinc/38/73/14/661387314.db2.gz SKHTWVFIMRLUHG-UHFFFAOYSA-N -1 0 357.392 -0.762 20 0 FBADRM CC(C)(C)OC(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cn1 ZINC000860647932 661387324 /nfs/dbraw/zinc/38/73/24/661387324.db2.gz CWPGEXUVFHYZDT-UHFFFAOYSA-N -1 0 358.376 -0.027 20 0 FBADRM CC(C)(C)OC(=O)C1(C(=O)[N-]S(=O)(=O)CC(N)=O)CCSCC1 ZINC000860647946 661387291 /nfs/dbraw/zinc/38/72/91/661387291.db2.gz DFZFMIOGYNEURO-UHFFFAOYSA-N -1 0 366.461 -0.227 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1cccnc1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860648001 661387262 /nfs/dbraw/zinc/38/72/62/661387262.db2.gz GAVFCWDDTZLVFN-MCYUEQNJSA-N -1 0 352.368 -0.252 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1cccnc1)c1ccnc(N2CCOCC2)n1 ZINC000860648059 661387330 /nfs/dbraw/zinc/38/73/30/661387330.db2.gz ILHFRAZIXYDUKS-UHFFFAOYSA-N -1 0 363.399 -0.032 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)C1(NC(=O)OCc2ccccc2)CC1 ZINC000860648148 661387357 /nfs/dbraw/zinc/38/73/57/661387357.db2.gz LBMJNPHKTSICBQ-UHFFFAOYSA-N -1 0 355.372 -0.623 20 0 FBADRM COc1ccc(CC(=O)[N-]S(=O)(=O)CC(N)=O)cc1OC(F)F ZINC000860648208 661387303 /nfs/dbraw/zinc/38/73/03/661387303.db2.gz NGILAOJGRZTDDH-UHFFFAOYSA-N -1 0 352.315 -0.230 20 0 FBADRM Cn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)Cc3cccnc3)CC2=O)cn1 ZINC000860648225 661387348 /nfs/dbraw/zinc/38/73/48/661387348.db2.gz NOZSTBOGLTYXDB-GFCCVEGCSA-N -1 0 363.399 -0.186 20 0 FBADRM Cn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)Cc3cccnc3)CC2=O)cn1 ZINC000860648226 661387381 /nfs/dbraw/zinc/38/73/81/661387381.db2.gz NOZSTBOGLTYXDB-LBPRGKRZSA-N -1 0 363.399 -0.186 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000860648978 661387297 /nfs/dbraw/zinc/38/72/97/661387297.db2.gz ZDCXHLYIDGGPPP-PSASIEDQSA-N -1 0 367.399 -0.487 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000860648988 661387264 /nfs/dbraw/zinc/38/72/64/661387264.db2.gz ZDCXHLYIDGGPPP-SCZZXKLOSA-N -1 0 367.399 -0.487 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000860648989 661387553 /nfs/dbraw/zinc/38/75/53/661387553.db2.gz ZDCXHLYIDGGPPP-WCBMZHEXSA-N -1 0 367.399 -0.487 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000860648991 661387446 /nfs/dbraw/zinc/38/74/46/661387446.db2.gz ZDCXHLYIDGGPPP-WPRPVWTQSA-N -1 0 367.399 -0.487 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC000860648993 661387598 /nfs/dbraw/zinc/38/75/98/661387598.db2.gz ZFLGNSDZCCHAKU-SSDOTTSWSA-N -1 0 361.326 -0.751 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC000860648998 661387502 /nfs/dbraw/zinc/38/75/02/661387502.db2.gz ZFLGNSDZCCHAKU-ZETCQYMHSA-N -1 0 361.326 -0.751 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)c1cn(C2CC2)nn1 ZINC000860649179 661387603 /nfs/dbraw/zinc/38/76/03/661387603.db2.gz GVSMGMYXIVPFFI-UHFFFAOYSA-N -1 0 357.373 -0.025 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)N(C)C(=O)CO2 ZINC000860650162 661387570 /nfs/dbraw/zinc/38/75/70/661387570.db2.gz IORAOVOXUDPSRI-MRVPVSSYSA-N -1 0 356.356 -0.337 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)N(C)C(=O)CO2 ZINC000860650163 661387449 /nfs/dbraw/zinc/38/74/49/661387449.db2.gz IORAOVOXUDPSRI-QMMMGPOBSA-N -1 0 356.356 -0.337 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cncc(N2CCCC2=O)c1 ZINC000860650694 661387560 /nfs/dbraw/zinc/38/75/60/661387560.db2.gz UMRNVRXOADYOJY-SECBINFHSA-N -1 0 355.372 -0.171 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cncc(N2CCCC2=O)c1 ZINC000860650695 661387470 /nfs/dbraw/zinc/38/74/70/661387470.db2.gz UMRNVRXOADYOJY-VIFPVBQESA-N -1 0 355.372 -0.171 20 0 FBADRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000860651609 661387577 /nfs/dbraw/zinc/38/75/77/661387577.db2.gz VZEJTZAJMLAZCE-NEPJUHHUSA-N -1 0 372.447 -0.006 20 0 FBADRM COc1ccccc1CS(=O)(=O)[N-]C(=O)CN1CC(=O)N(C)C1=O ZINC000860656423 661387508 /nfs/dbraw/zinc/38/75/08/661387508.db2.gz JOOCIQOHEAPGIG-UHFFFAOYSA-N -1 0 355.372 -0.465 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C ZINC000860659954 661387515 /nfs/dbraw/zinc/38/75/15/661387515.db2.gz CQAWGPZUQLXQKG-GXSJLCMTSA-N -1 0 374.419 -0.093 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1ccnc(N2CCOCC2)n1 ZINC000860660152 661387558 /nfs/dbraw/zinc/38/75/58/661387558.db2.gz GWJNMOFKGYXMTK-UHFFFAOYSA-N -1 0 352.376 -0.835 20 0 FBADRM Cn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)c3ccnn3C)CC2=O)cn1 ZINC000860660418 661387555 /nfs/dbraw/zinc/38/75/55/661387555.db2.gz KITAPKVWFXWINL-SECBINFHSA-N -1 0 352.376 -0.988 20 0 FBADRM Cn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)c3ccnn3C)CC2=O)cn1 ZINC000860660421 661387462 /nfs/dbraw/zinc/38/74/62/661387462.db2.gz KITAPKVWFXWINL-VIFPVBQESA-N -1 0 352.376 -0.988 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000860660462 661387551 /nfs/dbraw/zinc/38/75/51/661387551.db2.gz KZGLHKYLHXLINX-SMDDNHRTSA-N -1 0 363.399 -0.160 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)c1ccnc(N2CCOCC2)n1 ZINC000860663032 661387587 /nfs/dbraw/zinc/38/75/87/661387587.db2.gz MXVVVSXNBFQGCC-UHFFFAOYSA-N -1 0 358.420 -0.201 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000860663147 661387457 /nfs/dbraw/zinc/38/74/57/661387457.db2.gz OJOJFFMCUAENJY-LLVKDONJSA-N -1 0 358.420 -0.354 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000860663149 661387528 /nfs/dbraw/zinc/38/75/28/661387528.db2.gz OJOJFFMCUAENJY-NSHDSACASA-N -1 0 358.420 -0.354 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)c1cnc2c(c1)NC(=O)CN2C ZINC000860663965 661387756 /nfs/dbraw/zinc/38/77/56/661387756.db2.gz YAIMQTPNADSSIR-UHFFFAOYSA-N -1 0 356.404 -0.044 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000860664033 661387750 /nfs/dbraw/zinc/38/77/50/661387750.db2.gz ZNZJLTJULCZJMN-NSHDSACASA-N -1 0 356.466 -0.469 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(C(N)=O)nc1 ZINC000860664383 661387708 /nfs/dbraw/zinc/38/77/08/661387708.db2.gz HLFLVLLGVLJYRJ-BDAKNGLRSA-N -1 0 357.388 -0.633 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(C(N)=O)nc1 ZINC000860664384 661387706 /nfs/dbraw/zinc/38/77/06/661387706.db2.gz HLFLVLLGVLJYRJ-DTWKUNHWSA-N -1 0 357.388 -0.633 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(C(N)=O)nc1 ZINC000860664385 661387783 /nfs/dbraw/zinc/38/77/83/661387783.db2.gz HLFLVLLGVLJYRJ-IUCAKERBSA-N -1 0 357.388 -0.633 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(C(N)=O)nc1 ZINC000860664386 661387734 /nfs/dbraw/zinc/38/77/34/661387734.db2.gz HLFLVLLGVLJYRJ-RKDXNWHRSA-N -1 0 357.388 -0.633 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)OC)O1 ZINC000860664496 661387697 /nfs/dbraw/zinc/38/76/97/661387697.db2.gz AMHWOUDKTNFKOP-AATLWQCWSA-N -1 0 351.377 -0.649 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)OC)O1 ZINC000860664498 661387695 /nfs/dbraw/zinc/38/76/95/661387695.db2.gz AMHWOUDKTNFKOP-DOLQZWNJSA-N -1 0 351.377 -0.649 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)OC)O1 ZINC000860664500 661387742 /nfs/dbraw/zinc/38/77/42/661387742.db2.gz AMHWOUDKTNFKOP-QCLAVDOMSA-N -1 0 351.377 -0.649 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)OC)O1 ZINC000860664501 661387660 /nfs/dbraw/zinc/38/76/60/661387660.db2.gz AMHWOUDKTNFKOP-XFWSIPNHSA-N -1 0 351.377 -0.649 20 0 FBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC)c1 ZINC000860666618 661387715 /nfs/dbraw/zinc/38/77/15/661387715.db2.gz SYSUWCYYXHZUHH-BDAKNGLRSA-N -1 0 361.376 -0.687 20 0 FBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC)c1 ZINC000860666619 661387766 /nfs/dbraw/zinc/38/77/66/661387766.db2.gz SYSUWCYYXHZUHH-DTWKUNHWSA-N -1 0 361.376 -0.687 20 0 FBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC)c1 ZINC000860666620 661387710 /nfs/dbraw/zinc/38/77/10/661387710.db2.gz SYSUWCYYXHZUHH-IUCAKERBSA-N -1 0 361.376 -0.687 20 0 FBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC)c1 ZINC000860666621 661387762 /nfs/dbraw/zinc/38/77/62/661387762.db2.gz SYSUWCYYXHZUHH-RKDXNWHRSA-N -1 0 361.376 -0.687 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000860666834 661387731 /nfs/dbraw/zinc/38/77/31/661387731.db2.gz VCADPZCDZGVRGC-GMTAPVOTSA-N -1 0 374.419 -0.428 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000860666835 661387674 /nfs/dbraw/zinc/38/76/74/661387674.db2.gz VCADPZCDZGVRGC-MXWKQRLJSA-N -1 0 374.419 -0.428 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000860666836 661387702 /nfs/dbraw/zinc/38/77/02/661387702.db2.gz VCADPZCDZGVRGC-OUAUKWLOSA-N -1 0 374.419 -0.428 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000860666837 661387778 /nfs/dbraw/zinc/38/77/78/661387778.db2.gz VCADPZCDZGVRGC-VWYCJHECSA-N -1 0 374.419 -0.428 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)COCC(F)F)cc2n(C)c1=O ZINC000860674035 661387679 /nfs/dbraw/zinc/38/76/79/661387679.db2.gz MNIOHJQZPRIURP-UHFFFAOYSA-N -1 0 363.342 -0.036 20 0 FBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000860674068 661387746 /nfs/dbraw/zinc/38/77/46/661387746.db2.gz MRMJVHHZJXKKNI-ZDUSSCGKSA-N -1 0 368.415 -0.548 20 0 FBADRM Cc1ccnn1CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000860674667 661387907 /nfs/dbraw/zinc/38/79/07/661387907.db2.gz XHXCKYAFJMUOBX-UHFFFAOYSA-N -1 0 363.399 -0.113 20 0 FBADRM COc1cc(OC)c(S(=O)(=O)[N-]C(=O)[C@@H]2COC(=O)N2)c(OC)c1 ZINC000860676895 661387895 /nfs/dbraw/zinc/38/78/95/661387895.db2.gz GRQXAOFOKVAAOH-QMMMGPOBSA-N -1 0 360.344 -0.374 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CCc2ccc3c(c2)CCO3)O1 ZINC000860679761 661387913 /nfs/dbraw/zinc/38/79/13/661387913.db2.gz BFPBGWAMTONFSD-UONOGXRCSA-N -1 0 368.411 -0.357 20 0 FBADRM COc1ccc(CCS(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)cc1 ZINC000860679983 661387841 /nfs/dbraw/zinc/38/78/41/661387841.db2.gz HYEZZLXLGOAWHZ-UHFFFAOYSA-N -1 0 369.399 -0.422 20 0 FBADRM COc1ccc(CCS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)cc1 ZINC000860680192 661387854 /nfs/dbraw/zinc/38/78/54/661387854.db2.gz OYDWDLALUDNSSZ-OLZOCXBDSA-N -1 0 356.400 -0.283 20 0 FBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)O1 ZINC000860680559 661387943 /nfs/dbraw/zinc/38/79/43/661387943.db2.gz CKCOHGOJUFJKHY-BDAKNGLRSA-N -1 0 367.330 -0.326 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn(CC(F)F)c1)c1cn2c(n1)COCC2 ZINC000860682395 661387899 /nfs/dbraw/zinc/38/78/99/661387899.db2.gz XMICKLBLJGHGRL-UHFFFAOYSA-N -1 0 361.330 -0.006 20 0 FBADRM CCOC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)c1 ZINC000860682960 661387929 /nfs/dbraw/zinc/38/79/29/661387929.db2.gz ITVWLVRRYSXLJE-NEPJUHHUSA-N -1 0 370.383 -0.299 20 0 FBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)c1 ZINC000860684887 661387923 /nfs/dbraw/zinc/38/79/23/661387923.db2.gz COGPCASHCXDOGK-UHFFFAOYSA-N -1 0 353.360 -0.683 20 0 FBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)c2cnn(CC3CC3)c2)c1 ZINC000860685396 661387892 /nfs/dbraw/zinc/38/78/92/661387892.db2.gz MCBARNSDQCJZFH-UHFFFAOYSA-N -1 0 367.387 -0.219 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860685539 661387947 /nfs/dbraw/zinc/38/79/47/661387947.db2.gz QJMYYOMAPOAHGR-UPSWMWPXSA-N -1 0 367.383 -0.645 20 0 FBADRM Cc1cn(CC(=O)[N-]S(=O)(=O)c2cnnn2C)nc1C(F)(F)F ZINC000860686373 661387975 /nfs/dbraw/zinc/38/79/75/661387975.db2.gz JEGIJBPSQGYXNF-UHFFFAOYSA-N -1 0 352.298 -0.156 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000860686374 661387979 /nfs/dbraw/zinc/38/79/79/661387979.db2.gz JGYMMQSOTZURBU-GFCCVEGCSA-N -1 0 363.399 -0.218 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000860686377 661387925 /nfs/dbraw/zinc/38/79/25/661387925.db2.gz JGYMMQSOTZURBU-LBPRGKRZSA-N -1 0 363.399 -0.218 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cncc(N2CCCC2=O)c1 ZINC000860687330 661387886 /nfs/dbraw/zinc/38/78/86/661387886.db2.gz YOWQZVDDNADCKR-UHFFFAOYSA-N -1 0 350.360 -0.544 20 0 FBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000860688981 661387940 /nfs/dbraw/zinc/38/79/40/661387940.db2.gz CVGSOKFNEFPGRP-LBPRGKRZSA-N -1 0 367.383 -0.512 20 0 FBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000860689555 661387953 /nfs/dbraw/zinc/38/79/53/661387953.db2.gz IFIPEYDQTBGIKA-UHFFFAOYSA-N -1 0 359.408 -0.976 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000860691395 661387858 /nfs/dbraw/zinc/38/78/58/661387858.db2.gz UBLUQDJVHKPGSD-SCZZXKLOSA-N -1 0 360.392 -0.103 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)COCC(F)F)cc2C1=O ZINC000860691411 661387983 /nfs/dbraw/zinc/38/79/83/661387983.db2.gz UNTRCVYLUGPVKQ-UHFFFAOYSA-N -1 0 362.310 -0.001 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)[C@@H]1COC(=O)N1 ZINC000860692613 661387904 /nfs/dbraw/zinc/38/79/04/661387904.db2.gz PAKRFPIDOYDXAY-NSHDSACASA-N -1 0 353.356 -0.125 20 0 FBADRM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C(=O)[C@@H]1COC(=O)N1 ZINC000860696167 661387971 /nfs/dbraw/zinc/38/79/71/661387971.db2.gz ZBEYPGWHIXSDIR-VIFPVBQESA-N -1 0 362.335 -0.236 20 0 FBADRM Cn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)c3ncccc3F)CC2=O)cn1 ZINC000860697760 661387916 /nfs/dbraw/zinc/38/79/16/661387916.db2.gz IAYRIRFUBHVETD-SECBINFHSA-N -1 0 367.362 -0.188 20 0 FBADRM Cn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)c3ncccc3F)CC2=O)cn1 ZINC000860697761 661387961 /nfs/dbraw/zinc/38/79/61/661387961.db2.gz IAYRIRFUBHVETD-VIFPVBQESA-N -1 0 367.362 -0.188 20 0 FBADRM O=C([N-]S(=O)(=O)c1ncccc1F)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860697897 661387932 /nfs/dbraw/zinc/38/79/32/661387932.db2.gz KKFUSLULJZVQSL-DLVJRCHESA-N -1 0 356.331 -0.254 20 0 FBADRM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COC(=O)N2)c1F ZINC000860698019 661387838 /nfs/dbraw/zinc/38/78/38/661387838.db2.gz LVDLZEBAVJYTST-LURJTMIESA-N -1 0 364.282 -0.335 20 0 FBADRM O=C([N-]S(=O)(=O)c1ncccc1F)c1ccnc(N2CCOCC2)n1 ZINC000860698578 661388130 /nfs/dbraw/zinc/38/81/30/661388130.db2.gz XUBGCNCIDBNUHW-UHFFFAOYSA-N -1 0 367.362 -0.034 20 0 FBADRM Cc1cc(F)ccc1CS(=O)(=O)[N-]C(=O)CN1CC(=O)N(C)C1=O ZINC000860701431 661388151 /nfs/dbraw/zinc/38/81/51/661388151.db2.gz CBVXJGCZQADGMU-UHFFFAOYSA-N -1 0 357.363 -0.026 20 0 FBADRM O=C(NCCN1CCNC(=O)C1)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000860701490 661388137 /nfs/dbraw/zinc/38/81/37/661388137.db2.gz BTQUTJQSCQBTTR-UHFFFAOYSA-N -1 0 362.308 -0.380 20 0 FBADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)c(F)c1 ZINC000860702061 661388168 /nfs/dbraw/zinc/38/81/68/661388168.db2.gz LQDDRUHINGURDV-UHFFFAOYSA-N -1 0 357.363 -0.026 20 0 FBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)s1 ZINC000860704680 661388173 /nfs/dbraw/zinc/38/81/73/661388173.db2.gz IMPYSRZKIDJTJM-VIFPVBQESA-N -1 0 367.474 -0.072 20 0 FBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)s1 ZINC000860704809 661388098 /nfs/dbraw/zinc/38/80/98/661388098.db2.gz LISWUEZZTGLPHC-SQFXPHBZSA-N -1 0 358.397 -0.023 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O ZINC000860704823 661388177 /nfs/dbraw/zinc/38/81/77/661388177.db2.gz BTDGSIDWFHAYDU-SECBINFHSA-N -1 0 365.452 -0.723 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O ZINC000860704824 661388162 /nfs/dbraw/zinc/38/81/62/661388162.db2.gz BTDGSIDWFHAYDU-VIFPVBQESA-N -1 0 365.452 -0.723 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)cn1 ZINC000860705609 661388149 /nfs/dbraw/zinc/38/81/49/661388149.db2.gz LHMPQYQNLNHGSU-ADGXKJENSA-N -1 0 368.367 -0.384 20 0 FBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000860706729 661388051 /nfs/dbraw/zinc/38/80/51/661388051.db2.gz JGELWKSDAXZOPR-NSHDSACASA-N -1 0 370.493 -0.081 20 0 FBADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860706732 661388184 /nfs/dbraw/zinc/38/81/84/661388184.db2.gz JIJYOLJACIPVNO-YYHMBLRTSA-N -1 0 361.416 -0.032 20 0 FBADRM CCN1C(=O)CO[C@H](C(=O)[N-]S(=O)(=O)C2CCC2)[C@H]1c1nccn1C ZINC000860707771 661388102 /nfs/dbraw/zinc/38/81/02/661388102.db2.gz KSRCRRMDWSZFRR-STQMWFEESA-N -1 0 370.431 -0.293 20 0 FBADRM COc1cc(OC)cc(S(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)c1 ZINC000860709292 661388091 /nfs/dbraw/zinc/38/80/91/661388091.db2.gz NYBGILWPLYUYRO-UHFFFAOYSA-N -1 0 371.371 -0.597 20 0 FBADRM COc1cc(OC)cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)c1 ZINC000860710532 661388132 /nfs/dbraw/zinc/38/81/32/661388132.db2.gz YGCZDPFXGFPBNH-NEPJUHHUSA-N -1 0 358.372 -0.458 20 0 FBADRM COC(=O)c1cn(CCOC(=O)c2ccc([N-]S(C)(=O)=O)nc2)nn1 ZINC000860713964 661388085 /nfs/dbraw/zinc/38/80/85/661388085.db2.gz PDMSLDBXGPBRJE-UHFFFAOYSA-N -1 0 369.359 -0.312 20 0 FBADRM C[C@H](CN(C)S(C)(=O)=O)OC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000860718342 661388244 /nfs/dbraw/zinc/38/82/44/661388244.db2.gz VHERGMMZPWVVHY-SECBINFHSA-N -1 0 365.433 -0.110 20 0 FBADRM C[C@@H](CN(C)S(C)(=O)=O)OC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000860718343 661388322 /nfs/dbraw/zinc/38/83/22/661388322.db2.gz VHERGMMZPWVVHY-VIFPVBQESA-N -1 0 365.433 -0.110 20 0 FBADRM COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)c1 ZINC000860721510 661388368 /nfs/dbraw/zinc/38/83/68/661388368.db2.gz GQSKCSYOQOHVOM-NEPJUHHUSA-N -1 0 370.383 -0.548 20 0 FBADRM COc1cc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)cc1OC ZINC000860722302 661388366 /nfs/dbraw/zinc/38/83/66/661388366.db2.gz VYRIRHKLXPGJIX-ZJUUUORDSA-N -1 0 372.399 -0.150 20 0 FBADRM COC(=O)C[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(=O)OC ZINC000860725046 661388276 /nfs/dbraw/zinc/38/82/76/661388276.db2.gz YOYAVHMZWDDHTG-SECBINFHSA-N -1 0 360.344 -0.285 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1ccccn1)c1ccnc(N2CCOCC2)n1 ZINC000860727509 661388333 /nfs/dbraw/zinc/38/83/33/661388333.db2.gz CGOATEBDSUNNJY-UHFFFAOYSA-N -1 0 363.399 -0.032 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1ccccn1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860727677 661388343 /nfs/dbraw/zinc/38/83/43/661388343.db2.gz FZHHOYZECYJMEC-MCYUEQNJSA-N -1 0 352.368 -0.252 20 0 FBADRM COC(=O)c1ccc(NS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)cc1 ZINC000860727958 661388238 /nfs/dbraw/zinc/38/82/38/661388238.db2.gz JAVNFHIYLHTHJX-MNOVXSKESA-N -1 0 371.371 -0.721 20 0 FBADRM Cn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)Cc3ccccn3)CC2=O)cn1 ZINC000860728328 661388317 /nfs/dbraw/zinc/38/83/17/661388317.db2.gz TUVNDAHAJDLORV-LLVKDONJSA-N -1 0 363.399 -0.186 20 0 FBADRM Cn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)Cc3ccccn3)CC2=O)cn1 ZINC000860728329 661388260 /nfs/dbraw/zinc/38/82/60/661388260.db2.gz TUVNDAHAJDLORV-NSHDSACASA-N -1 0 363.399 -0.186 20 0 FBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCO3)C1=O ZINC000860731660 661388353 /nfs/dbraw/zinc/38/83/53/661388353.db2.gz LTDPLTUDWLHWCP-UHFFFAOYSA-N -1 0 353.356 -0.680 20 0 FBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)c2cccc3nsnc32)C1=O ZINC000860732215 661388377 /nfs/dbraw/zinc/38/83/77/661388377.db2.gz GEUPPXPZRJTUHV-UHFFFAOYSA-N -1 0 369.384 -0.610 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc3nsnc32)O1 ZINC000860733143 661388522 /nfs/dbraw/zinc/38/85/22/661388522.db2.gz UQGXBRZBTQQTIJ-JGVFFNPUSA-N -1 0 356.385 -0.471 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H](NC=O)C(C)C)cc1 ZINC000860734169 661388552 /nfs/dbraw/zinc/38/85/52/661388552.db2.gz NRUGFDKOOZLAGC-ZDUSSCGKSA-N -1 0 355.416 -0.237 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1ccnc(N2CCOCC2)n1 ZINC000860735921 661388599 /nfs/dbraw/zinc/38/85/99/661388599.db2.gz JTXBKIYZSJHTGF-UHFFFAOYSA-N -1 0 368.375 -0.689 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)c2cn3c(n2)COCC3)s1 ZINC000860736093 661388564 /nfs/dbraw/zinc/38/85/64/661388564.db2.gz LTZWAMRUXBEBAJ-UHFFFAOYSA-N -1 0 371.400 -0.053 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)oc1C ZINC000860736936 661388531 /nfs/dbraw/zinc/38/85/31/661388531.db2.gz KOVXWIZZFMBQNN-UHFFFAOYSA-N -1 0 363.373 -0.011 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000860736999 661388611 /nfs/dbraw/zinc/38/86/11/661388611.db2.gz NAYZWQDWJJZHKF-MRVPVSSYSA-N -1 0 368.375 -0.843 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000860737000 661388586 /nfs/dbraw/zinc/38/85/86/661388586.db2.gz NAYZWQDWJJZHKF-QMMMGPOBSA-N -1 0 368.375 -0.843 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860737100 661388535 /nfs/dbraw/zinc/38/85/35/661388535.db2.gz QFVCHBIYWBKIIT-DDBMDHPHSA-N -1 0 357.344 -0.909 20 0 FBADRM COCc1cccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)c1 ZINC000860740187 661388613 /nfs/dbraw/zinc/38/86/13/661388613.db2.gz QVAUSSNLIHJVNO-OLZOCXBDSA-N -1 0 356.400 -0.188 20 0 FBADRM COCc1cccc(CS(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)c1 ZINC000860740460 661388527 /nfs/dbraw/zinc/38/85/27/661388527.db2.gz USDSOILVORIOEA-UHFFFAOYSA-N -1 0 369.399 -0.327 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)c(C)c1 ZINC000860746886 661388488 /nfs/dbraw/zinc/38/84/88/661388488.db2.gz HPXXSFYKSGGANI-UHFFFAOYSA-N -1 0 355.372 -0.297 20 0 FBADRM O=C([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)[C@@H]1COC(=O)N1 ZINC000860748058 661388499 /nfs/dbraw/zinc/38/84/99/661388499.db2.gz SXHBZLRUGQFVEG-VIFPVBQESA-N -1 0 357.319 -0.376 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)c1cn(C2CC2)nn1 ZINC000860748213 661388507 /nfs/dbraw/zinc/38/85/07/661388507.db2.gz AJLJGXVWCDZKNI-UHFFFAOYSA-N -1 0 365.371 -0.161 20 0 FBADRM COCCOc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)c1 ZINC000860749775 661388484 /nfs/dbraw/zinc/38/84/84/661388484.db2.gz NZASMGKILDFPNJ-OLZOCXBDSA-N -1 0 372.399 -0.450 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C(C)C ZINC000860750107 661388580 /nfs/dbraw/zinc/38/85/80/661388580.db2.gz RZCMBPAUQNTGDQ-CYBMUJFWSA-N -1 0 371.415 -0.240 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)COCC(F)F ZINC000860750354 661388452 /nfs/dbraw/zinc/38/84/52/661388452.db2.gz WMTMQWWJNCVPID-UHFFFAOYSA-N -1 0 352.315 -0.119 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CN1CC(=O)N(C)C1=O ZINC000860753603 661388478 /nfs/dbraw/zinc/38/84/78/661388478.db2.gz YSHNQZCFPQDMKF-SECBINFHSA-N -1 0 363.392 -0.942 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CN1CC(=O)N(C)C1=O ZINC000860753604 661388505 /nfs/dbraw/zinc/38/85/05/661388505.db2.gz YSHNQZCFPQDMKF-VIFPVBQESA-N -1 0 363.392 -0.942 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000860753901 661388517 /nfs/dbraw/zinc/38/85/17/661388517.db2.gz GPNRIKAGPVUGHV-KXUCPTDWSA-N -1 0 350.393 -0.803 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000860753902 661388458 /nfs/dbraw/zinc/38/84/58/661388458.db2.gz GPNRIKAGPVUGHV-UTLUCORTSA-N -1 0 350.393 -0.803 20 0 FBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3n[nH]nc3c2)O1 ZINC000860754079 661388594 /nfs/dbraw/zinc/38/85/94/661388594.db2.gz AWYMPUITMBYLHO-MNOVXSKESA-N -1 0 354.344 -0.517 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCOC1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860754337 661388469 /nfs/dbraw/zinc/38/84/69/661388469.db2.gz FXVFUJLKAOMNKE-MVIRXUPPSA-N -1 0 359.400 -0.420 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCOC1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860754338 661388559 /nfs/dbraw/zinc/38/85/59/661388559.db2.gz FXVFUJLKAOMNKE-XRHZXQNYSA-N -1 0 359.400 -0.420 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCOC1)c1ccnc(N2CCOCC2)n1 ZINC000860754468 661388567 /nfs/dbraw/zinc/38/85/67/661388567.db2.gz GYEZOHAFEHQMCE-GFCCVEGCSA-N -1 0 370.431 -0.201 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCOC1)c1ccnc(N2CCOCC2)n1 ZINC000860754469 661388797 /nfs/dbraw/zinc/38/87/97/661388797.db2.gz GYEZOHAFEHQMCE-LBPRGKRZSA-N -1 0 370.431 -0.201 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@@H](NC=O)C(C)C)CC1 ZINC000860754532 661388781 /nfs/dbraw/zinc/38/87/81/661388781.db2.gz JDENOVHHBUGENY-LBPRGKRZSA-N -1 0 363.436 -0.176 20 0 FBADRM Cn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]3CCCOC3)CC2=O)cn1 ZINC000860754971 661388802 /nfs/dbraw/zinc/38/88/02/661388802.db2.gz POGYSSLMRAMYJE-NEPJUHHUSA-N -1 0 370.431 -0.354 20 0 FBADRM Cn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)C[C@H]3CCCOC3)CC2=O)cn1 ZINC000860754972 661388764 /nfs/dbraw/zinc/38/87/64/661388764.db2.gz POGYSSLMRAMYJE-NWDGAFQWSA-N -1 0 370.431 -0.354 20 0 FBADRM Cn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]3CCCOC3)CC2=O)cn1 ZINC000860754973 661388676 /nfs/dbraw/zinc/38/86/76/661388676.db2.gz POGYSSLMRAMYJE-RYUDHWBXSA-N -1 0 370.431 -0.354 20 0 FBADRM Cn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]3CCCOC3)CC2=O)cn1 ZINC000860754974 661388654 /nfs/dbraw/zinc/38/86/54/661388654.db2.gz POGYSSLMRAMYJE-VXGBXAGGSA-N -1 0 370.431 -0.354 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)OC)O1 ZINC000860755078 661388787 /nfs/dbraw/zinc/38/87/87/661388787.db2.gz VKXGDQVNJHSKSS-AXFHLTTASA-N -1 0 365.404 -0.115 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)OC)O1 ZINC000860755079 661388710 /nfs/dbraw/zinc/38/87/10/661388710.db2.gz VKXGDQVNJHSKSS-HBNTYKKESA-N -1 0 365.404 -0.115 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)Cc1ccc(C(N)=O)nc1 ZINC000860755589 661388760 /nfs/dbraw/zinc/38/87/60/661388760.db2.gz ZBLQIXJJTXDLKU-GFCCVEGCSA-N -1 0 371.415 -0.099 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)Cc1ccc(C(N)=O)nc1 ZINC000860755591 661388691 /nfs/dbraw/zinc/38/86/91/661388691.db2.gz ZBLQIXJJTXDLKU-LBPRGKRZSA-N -1 0 371.415 -0.099 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)[N-]C(=O)CN1CC(=O)N(C)C1=O ZINC000860755983 661388658 /nfs/dbraw/zinc/38/86/58/661388658.db2.gz DAIIUSBESYGXRL-UHFFFAOYSA-N -1 0 360.417 -0.666 20 0 FBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C ZINC000860756314 661388696 /nfs/dbraw/zinc/38/86/96/661388696.db2.gz IGHFLPDBFSPXPX-JTQLQIEISA-N -1 0 351.425 -0.272 20 0 FBADRM CN1CC(=O)Nc2cc(C(=O)[N-]S(=O)(=O)C[C@H]3CCCOC3)cnc21 ZINC000860757444 661388712 /nfs/dbraw/zinc/38/87/12/661388712.db2.gz SSTOINGUMCKINU-JTQLQIEISA-N -1 0 368.415 -0.044 20 0 FBADRM CN1CC(=O)Nc2cc(C(=O)[N-]S(=O)(=O)C[C@@H]3CCCOC3)cnc21 ZINC000860757445 661388795 /nfs/dbraw/zinc/38/87/95/661388795.db2.gz SSTOINGUMCKINU-SNVBAGLBSA-N -1 0 368.415 -0.044 20 0 FBADRM CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)c1cn2c(n1)COCC2 ZINC000860757456 661388777 /nfs/dbraw/zinc/38/87/77/661388777.db2.gz TVLMFLOIIDPMEN-UHFFFAOYSA-N -1 0 374.419 -0.002 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cnc2c(c1)NC(=O)CN2C ZINC000860758066 661388728 /nfs/dbraw/zinc/38/87/28/661388728.db2.gz CFZSTXWPPHQYPS-UHFFFAOYSA-N -1 0 356.360 -0.907 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)oc1C ZINC000860758177 661388771 /nfs/dbraw/zinc/38/87/71/661388771.db2.gz HPHBRQLTVCKEAC-UHFFFAOYSA-N -1 0 353.374 -0.386 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cncc(N2CCCC2=O)c1 ZINC000860758185 661388735 /nfs/dbraw/zinc/38/87/35/661388735.db2.gz IBUOHMDAUIXPFW-UHFFFAOYSA-N -1 0 355.372 -0.169 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)N(C)C(=O)CO2 ZINC000860758205 661388684 /nfs/dbraw/zinc/38/86/84/661388684.db2.gz IWBUIQMUEITAOO-UHFFFAOYSA-N -1 0 356.356 -0.336 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cccc(Cn2cncn2)c1 ZINC000860758430 661388768 /nfs/dbraw/zinc/38/87/68/661388768.db2.gz MNEKSMMLZBYJPC-UHFFFAOYSA-N -1 0 352.372 -0.051 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000860758650 661388752 /nfs/dbraw/zinc/38/87/52/661388752.db2.gz QJXXZMJUGGSWMI-RISCZKNCSA-N -1 0 369.399 -0.390 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)/C=C/c1ccc(S(C)(=O)=O)o1 ZINC000860758842 661388775 /nfs/dbraw/zinc/38/87/75/661388775.db2.gz TWTCVONFYOXXTG-HWKANZROSA-N -1 0 365.385 -0.295 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)/C=C\c1ccc(S(C)(=O)=O)o1 ZINC000860758843 661388723 /nfs/dbraw/zinc/38/87/23/661388723.db2.gz TWTCVONFYOXXTG-HYXAFXHYSA-N -1 0 365.385 -0.295 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccc(Cn2ccnn2)cc1 ZINC000860758935 661388812 /nfs/dbraw/zinc/38/88/12/661388812.db2.gz VFZDSIAWDZKGKH-UHFFFAOYSA-N -1 0 352.372 -0.051 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)c(C)o1 ZINC000860759032 661388758 /nfs/dbraw/zinc/38/87/58/661388758.db2.gz WRZGDZZBAFXTKU-UHFFFAOYSA-N -1 0 353.374 -0.386 20 0 FBADRM CCN1C(=O)CO[C@H](C(=O)[N-]S(=O)(=O)C2(C)CC2)[C@H]1c1nccn1C ZINC000860759269 661388783 /nfs/dbraw/zinc/38/87/83/661388783.db2.gz BSJOKGKNMXOCIH-RYUDHWBXSA-N -1 0 370.431 -0.293 20 0 FBADRM COCc1ccccc1CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000860762691 661388799 /nfs/dbraw/zinc/38/87/99/661388799.db2.gz FTXYOVQIZPRIJQ-OLZOCXBDSA-N -1 0 356.400 -0.188 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)[C@@H]2COC(=O)N2)c(Br)n1C ZINC000860763401 661388809 /nfs/dbraw/zinc/38/88/09/661388809.db2.gz HCJKKZOLHBHOAM-YFKPBYRVSA-N -1 0 367.181 -0.596 20 0 FBADRM COCc1ccccc1CS(=O)(=O)[N-]C(=O)CN1CC(=O)N(C)C1=O ZINC000860763978 661388689 /nfs/dbraw/zinc/38/86/89/661388689.db2.gz VFOCZJYNTMADMO-UHFFFAOYSA-N -1 0 369.399 -0.327 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1ccnc(N2CCOCC2)n1 ZINC000860765227 661388651 /nfs/dbraw/zinc/38/86/51/661388651.db2.gz COIHHEUNSYLTRY-UHFFFAOYSA-N -1 0 366.403 -0.526 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000860767652 661388672 /nfs/dbraw/zinc/38/86/72/661388672.db2.gz QEQLFVOIEDUENV-JTQLQIEISA-N -1 0 366.403 -0.680 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000860767655 661388667 /nfs/dbraw/zinc/38/86/67/661388667.db2.gz QEQLFVOIEDUENV-SNVBAGLBSA-N -1 0 366.403 -0.680 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cnc2c(c1)NC(=O)CN2C ZINC000860768441 661388808 /nfs/dbraw/zinc/38/88/08/661388808.db2.gz ULZIOQRBKCZZII-UHFFFAOYSA-N -1 0 364.387 -0.369 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)c2ccnc(N3CCOCC3)n2)CC1 ZINC000860776767 661389016 /nfs/dbraw/zinc/38/90/16/661389016.db2.gz JJBXZONVTHGXQD-UHFFFAOYSA-N -1 0 356.404 -0.448 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)CC1 ZINC000860776978 661388977 /nfs/dbraw/zinc/38/89/77/661388977.db2.gz NGSBZDHZOYZQLT-JTQLQIEISA-N -1 0 356.404 -0.602 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)CC1 ZINC000860776979 661388887 /nfs/dbraw/zinc/38/88/87/661388887.db2.gz NGSBZDHZOYZQLT-SNVBAGLBSA-N -1 0 356.404 -0.602 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)c2cnc3c(c2)NC(=O)CN3C)CC1 ZINC000860777108 661388989 /nfs/dbraw/zinc/38/89/89/661388989.db2.gz PDXWKDJWKFBXTA-UHFFFAOYSA-N -1 0 354.388 -0.292 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000860777616 661388918 /nfs/dbraw/zinc/38/89/18/661388918.db2.gz ZOVKXXSJIFBEHO-JTQLQIEISA-N -1 0 354.450 -0.717 20 0 FBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC)O1 ZINC000860778867 661388980 /nfs/dbraw/zinc/38/89/80/661388980.db2.gz NZAXPBFRLWFMNG-BDAKNGLRSA-N -1 0 351.377 -0.648 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000860779084 661388996 /nfs/dbraw/zinc/38/89/96/661388996.db2.gz RMDYKXGQIUCYEN-JTQLQIEISA-N -1 0 374.419 -0.427 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000860779085 661388934 /nfs/dbraw/zinc/38/89/34/661388934.db2.gz RMDYKXGQIUCYEN-SNVBAGLBSA-N -1 0 374.419 -0.427 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)Cc1ccc(C(N)=O)nc1 ZINC000860779221 661389011 /nfs/dbraw/zinc/38/90/11/661389011.db2.gz UJTBJCDQMKXJJY-UHFFFAOYSA-N -1 0 357.388 -0.632 20 0 FBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC)c1 ZINC000860779336 661388969 /nfs/dbraw/zinc/38/89/69/661388969.db2.gz XYHJLSYLGKELBW-UHFFFAOYSA-N -1 0 361.376 -0.685 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)c(F)c1F ZINC000860781752 661389007 /nfs/dbraw/zinc/38/90/07/661389007.db2.gz MGCZRGFHLXCXNP-UHFFFAOYSA-N -1 0 361.326 -0.028 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2ccnc(N3CCOCC3)n2)cnn1C ZINC000860783026 661388870 /nfs/dbraw/zinc/38/88/70/661388870.db2.gz DEPYQEHKQVQPLI-UHFFFAOYSA-N -1 0 366.403 -0.526 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cc(C)cn3ccnc23)CC1 ZINC000860783045 661388910 /nfs/dbraw/zinc/38/89/10/661388910.db2.gz DKLHNYGGNFFKTC-UHFFFAOYSA-N -1 0 365.415 -0.219 20 0 FBADRM COC(=O)c1oc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)cc1C ZINC000860783046 661388949 /nfs/dbraw/zinc/38/89/49/661388949.db2.gz DLMMSRPIFBMCPS-UHFFFAOYSA-N -1 0 373.387 -0.487 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2cnc3c(c2)NC(=O)CN3C)cnn1C ZINC000860783710 661388999 /nfs/dbraw/zinc/38/89/99/661388999.db2.gz PTXKZZSXIXXGRL-UHFFFAOYSA-N -1 0 364.387 -0.369 20 0 FBADRM CC(=O)N[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000860783725 661389013 /nfs/dbraw/zinc/38/90/13/661389013.db2.gz QAEGXNSHIYPEEV-CYBMUJFWSA-N -1 0 362.452 -0.938 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cn3cc(C)ccc3n2)CC1 ZINC000860783823 661388987 /nfs/dbraw/zinc/38/89/87/661388987.db2.gz QJUANIOCFALOEL-UHFFFAOYSA-N -1 0 365.415 -0.219 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2c(C)nc3sccn32)CC1 ZINC000860784284 661388956 /nfs/dbraw/zinc/38/89/56/661388956.db2.gz XQUDKBIYZQSFSI-UHFFFAOYSA-N -1 0 371.444 -0.157 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)cnn1C ZINC000860784464 661388964 /nfs/dbraw/zinc/38/89/64/661388964.db2.gz ZMCFEHKOLWGQJG-JTQLQIEISA-N -1 0 366.403 -0.680 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)cnn1C ZINC000860784465 661388899 /nfs/dbraw/zinc/38/88/99/661388899.db2.gz ZMCFEHKOLWGQJG-SNVBAGLBSA-N -1 0 366.403 -0.680 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cnc2c(c1)NC(=O)CN2C ZINC000860785028 661388894 /nfs/dbraw/zinc/38/88/94/661388894.db2.gz KMUYHGOJLHUGAY-UHFFFAOYSA-N -1 0 364.387 -0.369 20 0 FBADRM O=C(NCCS(=O)(=O)[N-]C(=O)[C@@H]1COC(=O)N1)OCc1ccccc1 ZINC000860785318 661388973 /nfs/dbraw/zinc/38/89/73/661388973.db2.gz UEIXEEWTFUMUCX-NSHDSACASA-N -1 0 371.371 -0.533 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000860785373 661388921 /nfs/dbraw/zinc/38/89/21/661388921.db2.gz VVHMXGHLRQVYEQ-JTQLQIEISA-N -1 0 366.403 -0.680 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000860785374 661388953 /nfs/dbraw/zinc/38/89/53/661388953.db2.gz VVHMXGHLRQVYEQ-SNVBAGLBSA-N -1 0 366.403 -0.680 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1ccnc(N2CCOCC2)n1 ZINC000860785423 661388940 /nfs/dbraw/zinc/38/89/40/661388940.db2.gz XLJCZTZBYOWOJR-UHFFFAOYSA-N -1 0 366.403 -0.526 20 0 FBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)O1 ZINC000860792260 661389092 /nfs/dbraw/zinc/38/90/92/661389092.db2.gz CWBWUGRISYBLMC-BDAKNGLRSA-N -1 0 359.360 -0.809 20 0 FBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)c1 ZINC000860792681 661389085 /nfs/dbraw/zinc/38/90/85/661389085.db2.gz ITBHCFLTINHUEA-UHFFFAOYSA-N -1 0 369.359 -0.846 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)[C@@H](NC=O)C(C)C)cc12 ZINC000860793276 661389214 /nfs/dbraw/zinc/38/92/14/661389214.db2.gz SAQTTZBZUUJHAD-LBPRGKRZSA-N -1 0 353.404 -0.148 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccccc1NC(=O)C1CC1)[C@@H]1COC(=O)N1 ZINC000860796773 661389156 /nfs/dbraw/zinc/38/91/56/661389156.db2.gz UBDGVZQQXCGXKC-JTQLQIEISA-N -1 0 353.356 -0.052 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CCOCc2ccccc2)O1 ZINC000860800898 661389112 /nfs/dbraw/zinc/38/91/12/661389112.db2.gz CCMWGOZVZBCIQC-QWHCGFSZSA-N -1 0 356.400 -0.318 20 0 FBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)CCOCc2ccccc2)C1=O ZINC000860801344 661389121 /nfs/dbraw/zinc/38/91/21/661389121.db2.gz KJVRSEIKPAYSOB-UHFFFAOYSA-N -1 0 369.399 -0.457 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)c1cn(C2CC2)nn1 ZINC000860801385 661389080 /nfs/dbraw/zinc/38/90/80/661389080.db2.gz RWYHURMNVLCMJH-JTQLQIEISA-N -1 0 352.376 -0.110 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)c1cn(C2CC2)nn1 ZINC000860801386 661389098 /nfs/dbraw/zinc/38/90/98/661389098.db2.gz RWYHURMNVLCMJH-SNVBAGLBSA-N -1 0 352.376 -0.110 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc3c2OCCO3)O1 ZINC000860803773 661389129 /nfs/dbraw/zinc/38/91/29/661389129.db2.gz VXWFRLRAJLKCTN-NWDGAFQWSA-N -1 0 370.383 -0.563 20 0 FBADRM O=C([N-]S(=O)(=O)c1nc(Br)cs1)[C@@H]1COC(=O)N1 ZINC000860807677 661389111 /nfs/dbraw/zinc/38/91/11/661389111.db2.gz IXXFANNLCRSZMH-VKHMYHEASA-N -1 0 356.179 -0.181 20 0 FBADRM CC(C)Oc1cncc(S(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)c1 ZINC000860807814 661389145 /nfs/dbraw/zinc/38/91/45/661389145.db2.gz MZAODSSOBAQIPP-UHFFFAOYSA-N -1 0 370.387 -0.432 20 0 FBADRM CC(C)Oc1cncc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)c1 ZINC000860808050 661389223 /nfs/dbraw/zinc/38/92/23/661389223.db2.gz UXAKYYOFTFKEEZ-NEPJUHHUSA-N -1 0 357.388 -0.293 20 0 FBADRM CC(C)(C)OCCS(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860809959 661389207 /nfs/dbraw/zinc/38/92/07/661389207.db2.gz KZTXRUIUGBIBKF-YYHMBLRTSA-N -1 0 361.416 -0.032 20 0 FBADRM CC(C)(C)OCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000860810517 661389134 /nfs/dbraw/zinc/38/91/34/661389134.db2.gz QOIFDSHYZNTKIK-NSHDSACASA-N -1 0 370.493 -0.081 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc(F)cn1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860815323 661389412 /nfs/dbraw/zinc/38/94/12/661389412.db2.gz KCCMMSYSCSAYJG-GCDPNZCJSA-N -1 0 356.331 -0.254 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc(F)cn1)c1ccnc(N2CCOCC2)n1 ZINC000860815441 661389383 /nfs/dbraw/zinc/38/93/83/661389383.db2.gz NSWHXDVTOIIURD-UHFFFAOYSA-N -1 0 367.362 -0.034 20 0 FBADRM Cn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)c3ccc(F)cn3)CC2=O)cn1 ZINC000860816057 661389377 /nfs/dbraw/zinc/38/93/77/661389377.db2.gz VYRTUKCWBLKOHW-SECBINFHSA-N -1 0 367.362 -0.188 20 0 FBADRM Cn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)c3ccc(F)cn3)CC2=O)cn1 ZINC000860816060 661389348 /nfs/dbraw/zinc/38/93/48/661389348.db2.gz VYRTUKCWBLKOHW-VIFPVBQESA-N -1 0 367.362 -0.188 20 0 FBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1)C(C)C ZINC000860816787 661389391 /nfs/dbraw/zinc/38/93/91/661389391.db2.gz QTOLFRRRTFPPQU-CYBMUJFWSA-N -1 0 366.403 -0.372 20 0 FBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000860816845 661389340 /nfs/dbraw/zinc/38/93/40/661389340.db2.gz RVTXXFMIIHKFRS-LBPRGKRZSA-N -1 0 352.376 -0.762 20 0 FBADRM CC(C)c1nc(S(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)cn1C ZINC000860820231 661389400 /nfs/dbraw/zinc/38/94/00/661389400.db2.gz RFKLALWARUHUAW-UHFFFAOYSA-N -1 0 357.392 -0.758 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)c1 ZINC000860823401 661389418 /nfs/dbraw/zinc/38/94/18/661389418.db2.gz FIWQVEKAYBYWIL-SECBINFHSA-N -1 0 352.376 -0.988 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)c1 ZINC000860823402 661389404 /nfs/dbraw/zinc/38/94/04/661389404.db2.gz FIWQVEKAYBYWIL-VIFPVBQESA-N -1 0 352.376 -0.988 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)c1 ZINC000860823564 661389351 /nfs/dbraw/zinc/38/93/51/661389351.db2.gz GPUSNHJMFKNGGT-SMDDNHRTSA-N -1 0 363.399 -0.160 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)cn1C ZINC000860823853 661389273 /nfs/dbraw/zinc/38/92/73/661389273.db2.gz AUBIYNWKVRIXCR-JTQLQIEISA-N -1 0 366.403 -0.680 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)cn1C ZINC000860823854 661389338 /nfs/dbraw/zinc/38/93/38/661389338.db2.gz AUBIYNWKVRIXCR-SNVBAGLBSA-N -1 0 366.403 -0.680 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)cn1C ZINC000860824019 661389422 /nfs/dbraw/zinc/38/94/22/661389422.db2.gz DLKNQRBAMVGADV-GCDPNZCJSA-N -1 0 355.372 -0.746 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccnc(N3CCOCC3)n2)c1 ZINC000860824248 661389388 /nfs/dbraw/zinc/38/93/88/661389388.db2.gz REHBOFIEUXQBEL-UHFFFAOYSA-N -1 0 352.376 -0.835 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2OCC[C@@H]2NC(=O)OC(C)(C)C)c1 ZINC000860824419 661389283 /nfs/dbraw/zinc/38/92/83/661389283.db2.gz SZRCUYNINGLPLH-GXSJLCMTSA-N -1 0 374.419 -0.093 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)c2cnc3c(c2)NC(=O)CN3C)cn1C ZINC000860824666 661389370 /nfs/dbraw/zinc/38/93/70/661389370.db2.gz QNRRGZARYSMBNV-UHFFFAOYSA-N -1 0 364.387 -0.369 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)c2ccnc(N3CCOCC3)n2)cn1C ZINC000860824970 661389361 /nfs/dbraw/zinc/38/93/61/661389361.db2.gz XAIDEUZCGPQDKG-UHFFFAOYSA-N -1 0 366.403 -0.526 20 0 FBADRM Cn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)c3cccn3C)CC2=O)cn1 ZINC000860825154 661389320 /nfs/dbraw/zinc/38/93/20/661389320.db2.gz CEQSXYAALBJITN-JTQLQIEISA-N -1 0 351.388 -0.383 20 0 FBADRM Cn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)c3cccn3C)CC2=O)cn1 ZINC000860825155 661389373 /nfs/dbraw/zinc/38/93/73/661389373.db2.gz CEQSXYAALBJITN-SNVBAGLBSA-N -1 0 351.388 -0.383 20 0 FBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)[N-]S(=O)(=O)c1cccn1C ZINC000860825865 661389546 /nfs/dbraw/zinc/38/95/46/661389546.db2.gz RBCXPMYSIUDTJH-UHFFFAOYSA-N -1 0 372.447 -0.361 20 0 FBADRM Cn1cccc1S(=O)(=O)[N-]C(=O)c1ccnc(N2CCOCC2)n1 ZINC000860825950 661389552 /nfs/dbraw/zinc/38/95/52/661389552.db2.gz RZYWAASNAXGYJK-UHFFFAOYSA-N -1 0 351.388 -0.230 20 0 FBADRM COC(=O)Cc1cc(OC)ccc1S(=O)(=O)[N-]C(=O)[C@@H]1COC(=O)N1 ZINC000860826675 661389488 /nfs/dbraw/zinc/38/94/88/661389488.db2.gz LYNAVWSERXCLAF-JTQLQIEISA-N -1 0 372.355 -0.676 20 0 FBADRM Cc1ccncc1S(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000860830460 661389637 /nfs/dbraw/zinc/38/96/37/661389637.db2.gz FCDFCXZHLFRQMB-ADGXKJENSA-N -1 0 352.368 -0.084 20 0 FBADRM O=C([N-]S(=O)(=O)c1cccc2c1OC(F)(F)O2)[C@@H]1COC(=O)N1 ZINC000860830642 661389603 /nfs/dbraw/zinc/38/96/03/661389603.db2.gz QIFGQQTVCWJSSC-YFKPBYRVSA-N -1 0 350.255 -0.079 20 0 FBADRM Cc1ccncc1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000860831183 661389475 /nfs/dbraw/zinc/38/94/75/661389475.db2.gz LUNMXXXENHVSOD-LLVKDONJSA-N -1 0 363.399 -0.018 20 0 FBADRM Cc1ccncc1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000860831185 661389549 /nfs/dbraw/zinc/38/95/49/661389549.db2.gz LUNMXXXENHVSOD-NSHDSACASA-N -1 0 363.399 -0.018 20 0 FBADRM COC(=O)Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COC(=O)N2)cc1F ZINC000860833453 661389537 /nfs/dbraw/zinc/38/95/37/661389537.db2.gz DMJJOEMFKZQSIX-JTQLQIEISA-N -1 0 360.319 -0.546 20 0 FBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)Cc2ccc3c(c2)COC3)C1=O ZINC000860835996 661389550 /nfs/dbraw/zinc/38/95/50/661389550.db2.gz ARMDQMXAURJAPH-UHFFFAOYSA-N -1 0 367.383 -0.443 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc3c(c2)COC3)O1 ZINC000860836794 661389593 /nfs/dbraw/zinc/38/95/93/661389593.db2.gz NJGRESWCUQJJRO-QWHCGFSZSA-N -1 0 354.384 -0.304 20 0 FBADRM C[C@H](C(=O)NCc1nnn[n-]1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000860838450 661389798 /nfs/dbraw/zinc/38/97/98/661389798.db2.gz NIBJMUBIFVDDQY-SECBINFHSA-N -1 0 353.383 -0.716 20 0 FBADRM C[C@@H](C(=O)NCc1nnn[n-]1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000860838457 661389759 /nfs/dbraw/zinc/38/97/59/661389759.db2.gz NIBJMUBIFVDDQY-VIFPVBQESA-N -1 0 353.383 -0.716 20 0 FBADRM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)c(F)c1 ZINC000860838868 661389896 /nfs/dbraw/zinc/38/98/96/661389896.db2.gz CECBBEIGARNWEH-UHFFFAOYSA-N -1 0 361.326 -0.028 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)c(C)o1 ZINC000860841733 661389892 /nfs/dbraw/zinc/38/98/92/661389892.db2.gz BQICCXJOILIYIO-UHFFFAOYSA-N -1 0 373.343 -0.926 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)c(C)o1 ZINC000860842126 661389864 /nfs/dbraw/zinc/38/98/64/661389864.db2.gz IYDHJOMJUGLNQM-SFYZADRCSA-N -1 0 360.344 -0.788 20 0 FBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)Cc2cccc(F)c2F)C1=O ZINC000860842276 661389687 /nfs/dbraw/zinc/38/96/87/661389687.db2.gz MRSGQQSZIYCXKR-UHFFFAOYSA-N -1 0 361.326 -0.195 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc2c(c1)OC(F)(F)O2)[C@@H]1COC(=O)N1 ZINC000860842628 661389690 /nfs/dbraw/zinc/38/96/90/661389690.db2.gz ACOHHNVAABMGRJ-LURJTMIESA-N -1 0 350.255 -0.079 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)[C@@H]3COC(=O)N3)cc2sc1=O ZINC000860850584 661389680 /nfs/dbraw/zinc/38/96/80/661389680.db2.gz HPHHOGFITOOJKH-ZETCQYMHSA-N -1 0 357.369 -0.487 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)c2cn3c(n2)COCC3)c1 ZINC000860855095 661389752 /nfs/dbraw/zinc/38/97/52/661389752.db2.gz REMDKEGGFOGOOK-UHFFFAOYSA-N -1 0 355.328 -0.088 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)OC)O2)c1 ZINC000860855305 661389771 /nfs/dbraw/zinc/38/97/71/661389771.db2.gz WPLCPLRNHNPJSK-BDAKNGLRSA-N -1 0 361.328 -0.408 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)c2ccnc(N3CCOCC3)n2)cn1 ZINC000860858950 661389820 /nfs/dbraw/zinc/38/98/20/661389820.db2.gz GATDEOKLMKWWSH-UHFFFAOYSA-N -1 0 366.403 -0.694 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)cn1 ZINC000860859408 661389781 /nfs/dbraw/zinc/38/97/81/661389781.db2.gz NAWCWPNGTFEEMH-LLVKDONJSA-N -1 0 366.403 -0.847 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)cn1 ZINC000860859409 661389879 /nfs/dbraw/zinc/38/98/79/661389879.db2.gz NAWCWPNGTFEEMH-NSHDSACASA-N -1 0 366.403 -0.847 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)c2cnc3c(c2)NC(=O)CN3C)cn1 ZINC000860860091 661389850 /nfs/dbraw/zinc/38/98/50/661389850.db2.gz ZPDQZZNYGDQIHD-UHFFFAOYSA-N -1 0 364.387 -0.537 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@@H]2COC[C@H]2n2ccnn2)cn1 ZINC000860864850 661389852 /nfs/dbraw/zinc/38/98/52/661389852.db2.gz HAJWBEUWQYXJCR-GHMZBOCLSA-N -1 0 353.360 -0.159 20 0 FBADRM C[C@@]1(Br)C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000860864956 661389808 /nfs/dbraw/zinc/38/98/08/661389808.db2.gz KSXMDQQAMVZHDS-AJAUBTJJSA-N -1 0 352.166 -0.248 20 0 FBADRM C[C@@]1(Br)C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000860864965 661389855 /nfs/dbraw/zinc/38/98/55/661389855.db2.gz KSXMDQQAMVZHDS-ALFREKQPSA-N -1 0 352.166 -0.248 20 0 FBADRM C[C@]1(Br)C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000860864967 661389720 /nfs/dbraw/zinc/38/97/20/661389720.db2.gz KSXMDQQAMVZHDS-IGJIYHIXSA-N -1 0 352.166 -0.248 20 0 FBADRM C[C@]1(Br)C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1 ZINC000860864968 661389899 /nfs/dbraw/zinc/38/98/99/661389899.db2.gz KSXMDQQAMVZHDS-MOFOKWOHSA-N -1 0 352.166 -0.248 20 0 FBADRM CC1(C)[C@@]2(C)CC[C@]1(C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1)OC2=O ZINC000860865225 661389714 /nfs/dbraw/zinc/38/97/14/661389714.db2.gz MPSCIKTVNJJSIV-UONOGXRCSA-N -1 0 371.371 -0.300 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@]2(C3CCCC3)CCNC2=O)on1 ZINC000860865430 661389700 /nfs/dbraw/zinc/38/97/00/661389700.db2.gz QEHDMPDSUJXDAF-AWEZNQCLSA-N -1 0 370.387 -0.725 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@@]2(C3CCCC3)CCNC2=O)on1 ZINC000860865431 661389826 /nfs/dbraw/zinc/38/98/26/661389826.db2.gz QEHDMPDSUJXDAF-CQSZACIVSA-N -1 0 370.387 -0.725 20 0 FBADRM COCCCn1cc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)no2)cn1 ZINC000860865795 661389997 /nfs/dbraw/zinc/38/99/97/661389997.db2.gz WPESHQPXBOUNFZ-UHFFFAOYSA-N -1 0 357.348 -0.875 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)Cn1nccc1C ZINC000860867750 661390043 /nfs/dbraw/zinc/39/00/43/661390043.db2.gz LGQRDHKSRTYIBL-UHFFFAOYSA-N -1 0 372.428 -0.115 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)COCC(F)F ZINC000860867843 661390078 /nfs/dbraw/zinc/39/00/78/661390078.db2.gz MDXQILFAGBGMDB-UHFFFAOYSA-N -1 0 372.371 -0.038 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)Cn1cncc1C ZINC000860868018 661389988 /nfs/dbraw/zinc/38/99/88/661389988.db2.gz NNTOCFBALXSRDC-UHFFFAOYSA-N -1 0 372.428 -0.115 20 0 FBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)nnn3C)O1 ZINC000860868179 661390064 /nfs/dbraw/zinc/39/00/64/661390064.db2.gz PVNNRWQHIDTRRA-NEPJUHHUSA-N -1 0 368.371 -0.506 20 0 FBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C)C(C)C ZINC000860868417 661390045 /nfs/dbraw/zinc/39/00/45/661390045.db2.gz QSIJMWLRFPRMNH-CYBMUJFWSA-N -1 0 353.404 -0.066 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)c3cn4c(n3)COCC4)ccc21 ZINC000860868875 661390028 /nfs/dbraw/zinc/39/00/28/661390028.db2.gz XCECWNROXXSTFU-UHFFFAOYSA-N -1 0 362.371 -0.186 20 0 FBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)CCc2ccc(F)cc2)C1=O ZINC000860870850 661390061 /nfs/dbraw/zinc/39/00/61/661390061.db2.gz VNKMYEHTQYEMDK-UHFFFAOYSA-N -1 0 357.363 -0.292 20 0 FBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)CCc2ccccc2F)C1=O ZINC000860876682 661390039 /nfs/dbraw/zinc/39/00/39/661390039.db2.gz RERBVNCYIOBSLI-UHFFFAOYSA-N -1 0 357.363 -0.292 20 0 FBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)[N-]S(=O)(=O)CC(F)F ZINC000860876773 661390091 /nfs/dbraw/zinc/39/00/91/661390091.db2.gz IVHBPLWPFJSLCT-UHFFFAOYSA-N -1 0 357.379 -0.493 20 0 FBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)Cc2cc(OC)ns2)c1 ZINC000860880319 661390002 /nfs/dbraw/zinc/39/00/02/661390002.db2.gz IUVBOBCVVQFIII-UHFFFAOYSA-N -1 0 374.400 -0.219 20 0 FBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cc(OC)ns2)O1 ZINC000860881813 661390020 /nfs/dbraw/zinc/39/00/20/661390020.db2.gz UZVWSQAKRQITHZ-BDAKNGLRSA-N -1 0 364.401 -0.182 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)cc1C ZINC000860883426 661390117 /nfs/dbraw/zinc/39/01/17/661390117.db2.gz FBWVGYHTTKATKP-UHFFFAOYSA-N -1 0 373.343 -0.926 20 0 FBADRM CCc1nc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)cn1CC1CC1 ZINC000860883633 661389964 /nfs/dbraw/zinc/38/99/64/661389964.db2.gz KKJYSQQGTMVCHY-MNOVXSKESA-N -1 0 370.431 -0.307 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccnc(N2CCOCC2)n1 ZINC000860883670 661390055 /nfs/dbraw/zinc/39/00/55/661390055.db2.gz GZNWTTQIYGKGOU-UHFFFAOYSA-N -1 0 374.419 -0.966 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC000860884171 661390087 /nfs/dbraw/zinc/39/00/87/661390087.db2.gz KPDJUGSJMCDNJW-CYBMUJFWSA-N -1 0 356.400 -0.379 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1CNC(=O)c2ccccc21 ZINC000860884172 661390050 /nfs/dbraw/zinc/39/00/50/661390050.db2.gz KPDJUGSJMCDNJW-ZDUSSCGKSA-N -1 0 356.400 -0.379 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cnc2c(c1)NC(=O)CN2C ZINC000860884662 661390015 /nfs/dbraw/zinc/39/00/15/661390015.db2.gz RCDBRLHVOVYTCZ-UHFFFAOYSA-N -1 0 372.403 -0.809 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@]1(C2CCCC2)CCNC1=O ZINC000860884663 661390095 /nfs/dbraw/zinc/39/00/95/661390095.db2.gz RCRHKHONGGSCII-HNNXBMFYSA-N -1 0 362.448 -0.210 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC000860884664 661390114 /nfs/dbraw/zinc/39/01/14/661390114.db2.gz RCRHKHONGGSCII-OAHLLOKOSA-N -1 0 362.448 -0.210 20 0 FBADRM COc1cc(F)ccc1S(=O)(=O)[N-]C(=O)CN1CC(=O)N(C)C1=O ZINC000860884685 661389973 /nfs/dbraw/zinc/38/99/73/661389973.db2.gz RVIBDKCGLNGAFV-UHFFFAOYSA-N -1 0 359.335 -0.467 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cncc(N2CCCC2=O)c1 ZINC000860884693 661390123 /nfs/dbraw/zinc/39/01/23/661390123.db2.gz SDAMJLNRWYMSFO-UHFFFAOYSA-N -1 0 371.415 -0.071 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)oc1C ZINC000860884846 661390010 /nfs/dbraw/zinc/39/00/10/661390010.db2.gz VAVYRFRTDSNDPI-UHFFFAOYSA-N -1 0 369.417 -0.287 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)N(C)C(=O)CO2 ZINC000860884919 661389976 /nfs/dbraw/zinc/38/99/76/661389976.db2.gz WWENJKXXSYCESV-UHFFFAOYSA-N -1 0 372.399 -0.237 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)c(C)o1 ZINC000860884965 661390053 /nfs/dbraw/zinc/39/00/53/661390053.db2.gz XXXKUEMROCDJMA-UHFFFAOYSA-N -1 0 369.417 -0.287 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccn(C2CCOCC2)n1 ZINC000860885080 661390032 /nfs/dbraw/zinc/39/00/32/661390032.db2.gz ZMISCXKEMDGPAD-UHFFFAOYSA-N -1 0 361.420 -0.044 20 0 FBADRM CC(C)(C)OC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@@H]2COC(=O)N2)on1 ZINC000860886248 661390255 /nfs/dbraw/zinc/39/02/55/661390255.db2.gz GUDAMOWUUCIEDP-ZETCQYMHSA-N -1 0 361.332 -0.457 20 0 FBADRM COC(=O)c1oc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)cc1C ZINC000860887094 661390189 /nfs/dbraw/zinc/39/01/89/661390189.db2.gz QAJYFVCNEOHNNU-SFYZADRCSA-N -1 0 360.344 -0.788 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@]1(C2CCCC2)CCNC1=O)OC ZINC000860890433 661390242 /nfs/dbraw/zinc/39/02/42/661390242.db2.gz CDEXUBKAFPWAHP-DOMZBBRYSA-N -1 0 362.448 -0.210 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@]1(C2CCCC2)CCNC1=O)OC ZINC000860890435 661390336 /nfs/dbraw/zinc/39/03/36/661390336.db2.gz CDEXUBKAFPWAHP-IUODEOHRSA-N -1 0 362.448 -0.210 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@]1(C2CCCC2)CCNC1=O)OC ZINC000860890437 661390201 /nfs/dbraw/zinc/39/02/01/661390201.db2.gz CDEXUBKAFPWAHP-SWLSCSKDSA-N -1 0 362.448 -0.210 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@]1(C2CCCC2)CCNC1=O)OC ZINC000860890439 661390245 /nfs/dbraw/zinc/39/02/45/661390245.db2.gz CDEXUBKAFPWAHP-WFASDCNBSA-N -1 0 362.448 -0.210 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cncc(N2CCCC2=O)c1)OC ZINC000860890950 661390333 /nfs/dbraw/zinc/39/03/33/661390333.db2.gz GKIJFKWIUVCIQV-CYBMUJFWSA-N -1 0 371.415 -0.071 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cncc(N2CCCC2=O)c1)OC ZINC000860890953 661390273 /nfs/dbraw/zinc/39/02/73/661390273.db2.gz GKIJFKWIUVCIQV-ZDUSSCGKSA-N -1 0 371.415 -0.071 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)N(C)C(=O)CO2)OC ZINC000860891393 661390260 /nfs/dbraw/zinc/39/02/60/661390260.db2.gz JLPHOUQJRUXADR-LLVKDONJSA-N -1 0 372.399 -0.237 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)N(C)C(=O)CO2)OC ZINC000860891394 661390230 /nfs/dbraw/zinc/39/02/30/661390230.db2.gz JLPHOUQJRUXADR-NSHDSACASA-N -1 0 372.399 -0.237 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cnc2c(c1)NC(=O)CN2C)OC ZINC000860891654 661390233 /nfs/dbraw/zinc/39/02/33/661390233.db2.gz JXVQPEIIRQMLCI-JTQLQIEISA-N -1 0 372.403 -0.809 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cnc2c(c1)NC(=O)CN2C)OC ZINC000860891655 661390328 /nfs/dbraw/zinc/39/03/28/661390328.db2.gz JXVQPEIIRQMLCI-SNVBAGLBSA-N -1 0 372.403 -0.809 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccnc(N2CCOCC2)n1)OC ZINC000860891721 661390270 /nfs/dbraw/zinc/39/02/70/661390270.db2.gz KWNIWCFQDMUYBM-LLVKDONJSA-N -1 0 374.419 -0.966 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccnc(N2CCOCC2)n1)OC ZINC000860891722 661390325 /nfs/dbraw/zinc/39/03/25/661390325.db2.gz KWNIWCFQDMUYBM-NSHDSACASA-N -1 0 374.419 -0.966 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)c(C)o1)OC ZINC000860891760 661390341 /nfs/dbraw/zinc/39/03/41/661390341.db2.gz LOFGNFQVLNQXIE-SECBINFHSA-N -1 0 369.417 -0.287 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)c(C)o1)OC ZINC000860891762 661390205 /nfs/dbraw/zinc/39/02/05/661390205.db2.gz LOFGNFQVLNQXIE-VIFPVBQESA-N -1 0 369.417 -0.287 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H]1CNC(=O)c2ccccc21)OC ZINC000860892632 661390266 /nfs/dbraw/zinc/39/02/66/661390266.db2.gz VFDLETAOBIHRJA-GWCFXTLKSA-N -1 0 356.400 -0.379 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CNC(=O)c2ccccc21)OC ZINC000860892633 661390208 /nfs/dbraw/zinc/39/02/08/661390208.db2.gz VFDLETAOBIHRJA-GXFFZTMASA-N -1 0 356.400 -0.379 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1CNC(=O)c2ccccc21)OC ZINC000860892634 661390192 /nfs/dbraw/zinc/39/01/92/661390192.db2.gz VFDLETAOBIHRJA-MFKMUULPSA-N -1 0 356.400 -0.379 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CNC(=O)c2ccccc21)OC ZINC000860892635 661390274 /nfs/dbraw/zinc/39/02/74/661390274.db2.gz VFDLETAOBIHRJA-ZWNOBZJWSA-N -1 0 356.400 -0.379 20 0 FBADRM COC(CN(CCCO)C(=O)c1ccc([N-]S(C)(=O)=O)nc1)OC ZINC000860936860 661390505 /nfs/dbraw/zinc/39/05/05/661390505.db2.gz IDEZCJSIOLKDAK-UHFFFAOYSA-N -1 0 361.420 -0.103 20 0 FBADRM COC(=O)CN1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1 ZINC000860971359 661390484 /nfs/dbraw/zinc/39/04/84/661390484.db2.gz PYFMCYWBXJMGMJ-UHFFFAOYSA-N -1 0 356.404 -0.616 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)c2ccnc(N3CCOCC3)n2)CO1 ZINC000861136416 661391205 /nfs/dbraw/zinc/39/12/05/661391205.db2.gz ACPGVPXIBHXYRY-LLVKDONJSA-N -1 0 370.431 -0.060 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)c2ccnc(N3CCOCC3)n2)CO1 ZINC000861136417 661391368 /nfs/dbraw/zinc/39/13/68/661391368.db2.gz ACPGVPXIBHXYRY-NSHDSACASA-N -1 0 370.431 -0.060 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)CO1 ZINC000861137495 661391140 /nfs/dbraw/zinc/39/11/40/661391140.db2.gz RJNQQTJAXFLMHP-JAPZVGMSSA-N -1 0 359.400 -0.280 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)CO1 ZINC000861137497 661391366 /nfs/dbraw/zinc/39/13/66/661391366.db2.gz RJNQQTJAXFLMHP-TVSZNTQPSA-N -1 0 359.400 -0.280 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)c2cn(C[C@H]3CCOC3)nn2)CO1 ZINC000861137707 661391363 /nfs/dbraw/zinc/39/13/63/661391363.db2.gz VZWQNQJHCIHSBV-GHMZBOCLSA-N -1 0 358.420 -0.058 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)c2cn(C[C@H]3CCOC3)nn2)CO1 ZINC000861137741 661391517 /nfs/dbraw/zinc/39/15/17/661391517.db2.gz VZWQNQJHCIHSBV-MNOVXSKESA-N -1 0 358.420 -0.058 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)c2cn(C[C@@H]3CCOC3)nn2)CO1 ZINC000861137742 661391470 /nfs/dbraw/zinc/39/14/70/661391470.db2.gz VZWQNQJHCIHSBV-QWRGUYRKSA-N -1 0 358.420 -0.058 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)c2cn(C[C@@H]3CCOC3)nn2)CO1 ZINC000861137743 661391526 /nfs/dbraw/zinc/39/15/26/661391526.db2.gz VZWQNQJHCIHSBV-WDEREUQCSA-N -1 0 358.420 -0.058 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1)n1cccn1 ZINC000861138620 661391446 /nfs/dbraw/zinc/39/14/46/661391446.db2.gz JMVPIFTWKAOTQN-NEPJUHHUSA-N -1 0 372.447 -0.084 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1)n1cccn1 ZINC000861138621 661391535 /nfs/dbraw/zinc/39/15/35/661391535.db2.gz JMVPIFTWKAOTQN-NWDGAFQWSA-N -1 0 372.447 -0.084 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1)n1cccn1 ZINC000861138622 661391562 /nfs/dbraw/zinc/39/15/62/661391562.db2.gz JMVPIFTWKAOTQN-RYUDHWBXSA-N -1 0 372.447 -0.084 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1)n1cccn1 ZINC000861138623 661391504 /nfs/dbraw/zinc/39/15/04/661391504.db2.gz JMVPIFTWKAOTQN-VXGBXAGGSA-N -1 0 372.447 -0.084 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CO1 ZINC000861138696 661391479 /nfs/dbraw/zinc/39/14/79/661391479.db2.gz DFADAOVAWLJAIR-QWRGUYRKSA-N -1 0 368.477 -0.329 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CO1 ZINC000861138697 661391587 /nfs/dbraw/zinc/39/15/87/661391587.db2.gz DFADAOVAWLJAIR-WDEREUQCSA-N -1 0 368.477 -0.329 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)c2ccc(-n3cnnn3)cn2)CO1 ZINC000861140323 661391490 /nfs/dbraw/zinc/39/14/90/661391490.db2.gz LEWWJFHOTHKBGA-JTQLQIEISA-N -1 0 352.376 -0.316 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)c2ccc(-n3cnnn3)cn2)CO1 ZINC000861140329 661391486 /nfs/dbraw/zinc/39/14/86/661391486.db2.gz LEWWJFHOTHKBGA-SNVBAGLBSA-N -1 0 352.376 -0.316 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000861140656 661391513 /nfs/dbraw/zinc/39/15/13/661391513.db2.gz TVTYXKPKFDLCTM-JTQLQIEISA-N -1 0 356.466 -0.329 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000861140657 661391559 /nfs/dbraw/zinc/39/15/59/661391559.db2.gz TVTYXKPKFDLCTM-SNVBAGLBSA-N -1 0 356.466 -0.329 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)C2(n3cnnn3)CCOCC2)CO1 ZINC000861141012 661391502 /nfs/dbraw/zinc/39/15/02/661391502.db2.gz RFMJFTZUVXQCEO-JTQLQIEISA-N -1 0 359.408 -0.808 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)C2(n3cnnn3)CCOCC2)CO1 ZINC000861141013 661391576 /nfs/dbraw/zinc/39/15/76/661391576.db2.gz RFMJFTZUVXQCEO-SNVBAGLBSA-N -1 0 359.408 -0.808 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCC3)CO1 ZINC000861141043 661391520 /nfs/dbraw/zinc/39/15/20/661391520.db2.gz RXAJBYLMUCWTQU-JTQLQIEISA-N -1 0 358.420 -0.605 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCC3)CO1 ZINC000861141044 661391478 /nfs/dbraw/zinc/39/14/78/661391478.db2.gz RXAJBYLMUCWTQU-SNVBAGLBSA-N -1 0 358.420 -0.605 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)CC2(n3cnnn3)CCOCC2)CO1 ZINC000861141585 661391565 /nfs/dbraw/zinc/39/15/65/661391565.db2.gz YWDDXUJRZOGMLV-LLVKDONJSA-N -1 0 373.435 -0.418 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)CC2(n3cnnn3)CCOCC2)CO1 ZINC000861141586 661391538 /nfs/dbraw/zinc/39/15/38/661391538.db2.gz YWDDXUJRZOGMLV-NSHDSACASA-N -1 0 373.435 -0.418 20 0 FBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1)C(C)C ZINC000861142464 661391466 /nfs/dbraw/zinc/39/14/66/661391466.db2.gz ZMASDNJBMIYBQX-JQWIXIFHSA-N -1 0 350.437 -0.213 20 0 FBADRM COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1)C(C)C ZINC000861142465 661391523 /nfs/dbraw/zinc/39/15/23/661391523.db2.gz ZMASDNJBMIYBQX-PWSUYJOCSA-N -1 0 350.437 -0.213 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)[C@H]2CCCN2S(C)(=O)=O)CO1 ZINC000861142923 661391507 /nfs/dbraw/zinc/39/15/07/661391507.db2.gz GMJUZUKFGCMZSF-NXEZZACHSA-N -1 0 354.450 -0.576 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2S(C)(=O)=O)CO1 ZINC000861142924 661391498 /nfs/dbraw/zinc/39/14/98/661391498.db2.gz GMJUZUKFGCMZSF-UWVGGRQHSA-N -1 0 354.450 -0.576 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)[C@H]2CCCN2S(C)(=O)=O)CO1 ZINC000861142925 661391579 /nfs/dbraw/zinc/39/15/79/661391579.db2.gz GMJUZUKFGCMZSF-VHSXEESVSA-N -1 0 354.450 -0.576 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2S(C)(=O)=O)CO1 ZINC000861142926 661391545 /nfs/dbraw/zinc/39/15/45/661391545.db2.gz GMJUZUKFGCMZSF-ZJUUUORDSA-N -1 0 354.450 -0.576 20 0 FBADRM Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)c(=O)n(C)c1=O ZINC000861143826 661391532 /nfs/dbraw/zinc/39/15/32/661391532.db2.gz UUHVQBYGXJJPJM-GZTOBOFZSA-N -1 0 371.415 -0.889 20 0 FBADRM Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)c(=O)n(C)c1=O ZINC000861143827 661391474 /nfs/dbraw/zinc/39/14/74/661391474.db2.gz UUHVQBYGXJJPJM-ISALQUGTSA-N -1 0 371.415 -0.889 20 0 FBADRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)c(=O)n(C)c1=O ZINC000861143828 661391584 /nfs/dbraw/zinc/39/15/84/661391584.db2.gz UUHVQBYGXJJPJM-MVIFTORASA-N -1 0 371.415 -0.889 20 0 FBADRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)c(=O)n(C)c1=O ZINC000861143829 661391484 /nfs/dbraw/zinc/39/14/84/661391484.db2.gz UUHVQBYGXJJPJM-QRGHLMKCSA-N -1 0 371.415 -0.889 20 0 FBADRM C[C@H](CS(=O)(=O)N(C)C)OC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000861145167 661391568 /nfs/dbraw/zinc/39/15/68/661391568.db2.gz OHVJWQZESAJTOE-SECBINFHSA-N -1 0 365.433 -0.110 20 0 FBADRM C[C@@H](CS(=O)(=O)N(C)C)OC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000861145168 661391459 /nfs/dbraw/zinc/39/14/59/661391459.db2.gz OHVJWQZESAJTOE-VIFPVBQESA-N -1 0 365.433 -0.110 20 0 FBADRM O=C([N-]S(=O)(=O)C1(C(F)F)CC1)C1(n2cnnn2)CCOCC1 ZINC000861158924 661392083 /nfs/dbraw/zinc/39/20/83/661392083.db2.gz KXYUHFHVYCHXFR-UHFFFAOYSA-N -1 0 351.335 -0.578 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCC2)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC000861158986 661392104 /nfs/dbraw/zinc/39/21/04/661392104.db2.gz DKHGUJYDMZXLRA-UHFFFAOYSA-N -1 0 350.347 -0.375 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)C1 ZINC000861159080 661392132 /nfs/dbraw/zinc/39/21/32/661392132.db2.gz NTVMCGPXAAKGDZ-QMMMGPOBSA-N -1 0 360.404 -0.098 20 0 FBADRM O=C([N-]S(=O)(=O)C1(C(F)F)CC1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000861159334 661392111 /nfs/dbraw/zinc/39/21/11/661392111.db2.gz RMBAEHNSNRFUAL-HZLHGAJGSA-N -1 0 351.327 -0.049 20 0 FBADRM O=C(CC1(n2cnnn2)CCOCC1)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC000861159594 661392092 /nfs/dbraw/zinc/39/20/92/661392092.db2.gz XHGSTWLWFUHYTL-UHFFFAOYSA-N -1 0 365.362 -0.187 20 0 FBADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)[N-]S(=O)(=O)C3(C(F)F)CC3)cnc21 ZINC000861161671 661392143 /nfs/dbraw/zinc/39/21/43/661392143.db2.gz NUCGBHDXEHSTKK-UHFFFAOYSA-N -1 0 374.325 -0.109 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)nn1 ZINC000861163547 661392148 /nfs/dbraw/zinc/39/21/48/661392148.db2.gz BHMHWHLVQNLKIM-UHFFFAOYSA-N -1 0 351.335 -0.776 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC000861164443 661392134 /nfs/dbraw/zinc/39/21/34/661392134.db2.gz UYZKNSRERIXJEG-SECBINFHSA-N -1 0 367.374 -0.643 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC000861164444 661392120 /nfs/dbraw/zinc/39/21/20/661392120.db2.gz UYZKNSRERIXJEG-VIFPVBQESA-N -1 0 367.374 -0.643 20 0 FBADRM Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)c(=O)n(C)c1=O ZINC000861164654 661392151 /nfs/dbraw/zinc/39/21/51/661392151.db2.gz ACJPYBFHCAJJEZ-ARJAWSKDSA-N -1 0 363.342 -0.659 20 0 FBADRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)c(=O)n(C)c1=O ZINC000861164655 661392066 /nfs/dbraw/zinc/39/20/66/661392066.db2.gz ACJPYBFHCAJJEZ-ONEGZZNKSA-N -1 0 363.342 -0.659 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)C1=O ZINC000861164851 661392271 /nfs/dbraw/zinc/39/22/71/661392271.db2.gz JTJBRZPLFRTFAE-GFCCVEGCSA-N -1 0 365.358 -0.049 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)C1=O ZINC000861164852 661392317 /nfs/dbraw/zinc/39/23/17/661392317.db2.gz JTJBRZPLFRTFAE-LBPRGKRZSA-N -1 0 365.358 -0.049 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)[N-]S(=O)(=O)C1(C(F)F)CC1)c2=O ZINC000861165003 661392273 /nfs/dbraw/zinc/39/22/73/661392273.db2.gz OVPKNVFDZPNYBL-UHFFFAOYSA-N -1 0 361.330 -0.626 20 0 FBADRM NC(=O)C1=NO[C@@H](CNC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)C1 ZINC000861186339 661392361 /nfs/dbraw/zinc/39/23/61/661392361.db2.gz MBXBSQISCTTYCW-SSDOTTSWSA-N -1 0 362.264 -0.182 20 0 FBADRM NC(=O)C1=NO[C@H](CNC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)C1 ZINC000861186343 661392357 /nfs/dbraw/zinc/39/23/57/661392357.db2.gz MBXBSQISCTTYCW-ZETCQYMHSA-N -1 0 362.264 -0.182 20 0 FBADRM CNS(=O)(=O)CCNC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000861202441 661392293 /nfs/dbraw/zinc/39/22/93/661392293.db2.gz IVIYPGGFXKTTBL-UHFFFAOYSA-N -1 0 357.310 -0.263 20 0 FBADRM CCN1C(=O)CO[C@H](C(=O)[N-]OC[C@H]2CCOC2)[C@H]1c1nccn1C ZINC000861249324 661392555 /nfs/dbraw/zinc/39/25/55/661392555.db2.gz XYUMPGKXESLZSH-UBHSHLNASA-N -1 0 352.391 -0.207 20 0 FBADRM CCN1C(=O)CO[C@H](C(=O)[N-]OC[C@@H]2CCOC2)[C@H]1c1nccn1C ZINC000861249325 661392652 /nfs/dbraw/zinc/39/26/52/661392652.db2.gz XYUMPGKXESLZSH-XBFCOCLRSA-N -1 0 352.391 -0.207 20 0 FBADRM CC1(C)OCC(CO)(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)CO1 ZINC000861332905 661393042 /nfs/dbraw/zinc/39/30/42/661393042.db2.gz OQIVEUSENBEZBH-UHFFFAOYSA-N -1 0 359.404 -0.303 20 0 FBADRM Cn1ccc(=O)n(CCCNC(=O)CSc2n[n-]c(=S)s2)c1=O ZINC000861367487 661393238 /nfs/dbraw/zinc/39/32/38/661393238.db2.gz AILQNFKXNMMXLQ-UHFFFAOYSA-N -1 0 373.485 -0.014 20 0 FBADRM O=C(CCCN1C(=O)CNC1=O)[N-]S(=O)(=O)c1csnc1Cl ZINC000861394825 661393401 /nfs/dbraw/zinc/39/34/01/661393401.db2.gz BUHFUFVEEPJZGJ-UHFFFAOYSA-N -1 0 366.808 -0.067 20 0 FBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)c1csnc1Cl ZINC000861396932 661393425 /nfs/dbraw/zinc/39/34/25/661393425.db2.gz LXIUZIXOUZIZEK-UHFFFAOYSA-N -1 0 359.838 -0.363 20 0 FBADRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2csnc2Cl)c(=O)n1C ZINC000861398975 661393377 /nfs/dbraw/zinc/39/33/77/661393377.db2.gz BUFUCVZEXJFFDM-UHFFFAOYSA-N -1 0 351.797 -0.495 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2csnc2Cl)S1(=O)=O ZINC000861399217 661393260 /nfs/dbraw/zinc/39/32/60/661393260.db2.gz DZLSYSNGQVBARD-RXMQYKEDSA-N -1 0 359.838 -0.365 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2csnc2Cl)S1(=O)=O ZINC000861399218 661393435 /nfs/dbraw/zinc/39/34/35/661393435.db2.gz DZLSYSNGQVBARD-YFKPBYRVSA-N -1 0 359.838 -0.365 20 0 FBADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)c2csnc2Cl)c1=O ZINC000861400336 661393341 /nfs/dbraw/zinc/39/33/41/661393341.db2.gz OPYZZOKVQWSHQA-UHFFFAOYSA-N -1 0 351.797 -0.413 20 0 FBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)c2csnc2Cl)C1=O ZINC000861401160 661393626 /nfs/dbraw/zinc/39/36/26/661393626.db2.gz RDNLZZZMTXCSEK-UHFFFAOYSA-N -1 0 352.781 -0.505 20 0 FBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)Cc1ncsc1Br ZINC000861435636 661393743 /nfs/dbraw/zinc/39/37/43/661393743.db2.gz ONDQRERIVCBHJO-UHFFFAOYSA-N -1 0 356.223 -0.012 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1ncsc1Br)[C@@H]1COC(=O)N1 ZINC000861436680 661393809 /nfs/dbraw/zinc/39/38/09/661393809.db2.gz NOAOAFXHACLMAS-BYPYZUCNSA-N -1 0 370.206 -0.040 20 0 FBADRM COC(=O)CNC(=O)CNC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000861448981 661393988 /nfs/dbraw/zinc/39/39/88/661393988.db2.gz QSPFKOXHKGOFET-UHFFFAOYSA-N -1 0 365.264 -0.523 20 0 FBADRM C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC[C@@H]1C(=O)[O-] ZINC000861450503 661394047 /nfs/dbraw/zinc/39/40/47/661394047.db2.gz ARGANLHGTVDFNV-NEPJUHHUSA-N -1 0 363.436 -0.599 20 0 FBADRM C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC[C@H]1C(=O)[O-] ZINC000861450504 661394034 /nfs/dbraw/zinc/39/40/34/661394034.db2.gz ARGANLHGTVDFNV-NWDGAFQWSA-N -1 0 363.436 -0.599 20 0 FBADRM C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC[C@@H]1C(=O)[O-] ZINC000861450505 661393965 /nfs/dbraw/zinc/39/39/65/661393965.db2.gz ARGANLHGTVDFNV-RYUDHWBXSA-N -1 0 363.436 -0.599 20 0 FBADRM C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC[C@H]1C(=O)[O-] ZINC000861450506 661393993 /nfs/dbraw/zinc/39/39/93/661393993.db2.gz ARGANLHGTVDFNV-VXGBXAGGSA-N -1 0 363.436 -0.599 20 0 FBADRM CCO[N-]C(=O)CNC(=O)Nc1cccc(S(=O)(=O)NCCOC)c1 ZINC000861658951 661395896 /nfs/dbraw/zinc/39/58/96/661395896.db2.gz SBHYCSHJNXBKAU-UHFFFAOYSA-N -1 0 374.419 -0.200 20 0 FBADRM COC(=O)N1CCC(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC000861714977 661396859 /nfs/dbraw/zinc/39/68/59/661396859.db2.gz KRPMUTWDTSFXGB-CMPLNLGQSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)N1CCC(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC000861714979 661396854 /nfs/dbraw/zinc/39/68/54/661396854.db2.gz KRPMUTWDTSFXGB-JQWIXIFHSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)N1CCC(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC000861714982 661396922 /nfs/dbraw/zinc/39/69/22/661396922.db2.gz KRPMUTWDTSFXGB-PWSUYJOCSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)N1CCC(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC000861714985 661396917 /nfs/dbraw/zinc/39/69/17/661396917.db2.gz KRPMUTWDTSFXGB-ZYHUDNBSSA-N -1 0 355.391 -0.097 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)CC2CC2)CC[C@H]1C(=O)[O-] ZINC000861715584 661396927 /nfs/dbraw/zinc/39/69/27/661396927.db2.gz MMJUWYXGTKBJRP-CMPLNLGQSA-N -1 0 360.432 -0.503 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)CC2CC2)CC[C@@H]1C(=O)[O-] ZINC000861715588 661396844 /nfs/dbraw/zinc/39/68/44/661396844.db2.gz MMJUWYXGTKBJRP-JQWIXIFHSA-N -1 0 360.432 -0.503 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)CC2CC2)CC[C@@H]1C(=O)[O-] ZINC000861715590 661396901 /nfs/dbraw/zinc/39/69/01/661396901.db2.gz MMJUWYXGTKBJRP-PWSUYJOCSA-N -1 0 360.432 -0.503 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)CC2CC2)CC[C@H]1C(=O)[O-] ZINC000861715592 661396888 /nfs/dbraw/zinc/39/68/88/661396888.db2.gz MMJUWYXGTKBJRP-ZYHUDNBSSA-N -1 0 360.432 -0.503 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1nnnn1C1CC1 ZINC000861716706 661397176 /nfs/dbraw/zinc/39/71/76/661397176.db2.gz TZQSIFHQORUNJY-ATZCPNFKSA-N -1 0 350.379 -0.246 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1nnnn1C1CC1 ZINC000861716707 661397106 /nfs/dbraw/zinc/39/71/06/661397106.db2.gz TZQSIFHQORUNJY-QXEWZRGKSA-N -1 0 350.379 -0.246 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1nnnn1C1CC1 ZINC000861716708 661397210 /nfs/dbraw/zinc/39/72/10/661397210.db2.gz TZQSIFHQORUNJY-WCABBAIRSA-N -1 0 350.379 -0.246 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1nnnn1C1CC1 ZINC000861716709 661397137 /nfs/dbraw/zinc/39/71/37/661397137.db2.gz TZQSIFHQORUNJY-YWVKMMECSA-N -1 0 350.379 -0.246 20 0 FBADRM COC(=O)N1CCC[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)C1 ZINC000861717855 661397167 /nfs/dbraw/zinc/39/71/67/661397167.db2.gz ULXXUCPPCQHAHZ-GRYCIOLGSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)N1CCC[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC000861717857 661397163 /nfs/dbraw/zinc/39/71/63/661397163.db2.gz ULXXUCPPCQHAHZ-SDDRHHMPSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)N1CCC[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC000861717859 661397078 /nfs/dbraw/zinc/39/70/78/661397078.db2.gz ULXXUCPPCQHAHZ-SRVKXCTJSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)N1CCC[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)C1 ZINC000861717861 661397086 /nfs/dbraw/zinc/39/70/86/661397086.db2.gz ULXXUCPPCQHAHZ-WOPDTQHZSA-N -1 0 355.391 -0.097 20 0 FBADRM CCOC(=O)N1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)C1 ZINC000861719197 661397134 /nfs/dbraw/zinc/39/71/34/661397134.db2.gz YLGNLSJVKIOPDL-GRYCIOLGSA-N -1 0 355.391 -0.097 20 0 FBADRM CCOC(=O)N1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC000861719198 661397179 /nfs/dbraw/zinc/39/71/79/661397179.db2.gz YLGNLSJVKIOPDL-SDDRHHMPSA-N -1 0 355.391 -0.097 20 0 FBADRM CCOC(=O)N1CC[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC000861719199 661397110 /nfs/dbraw/zinc/39/71/10/661397110.db2.gz YLGNLSJVKIOPDL-SRVKXCTJSA-N -1 0 355.391 -0.097 20 0 FBADRM CCOC(=O)N1CC[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)C1 ZINC000861719200 661397145 /nfs/dbraw/zinc/39/71/45/661397145.db2.gz YLGNLSJVKIOPDL-WOPDTQHZSA-N -1 0 355.391 -0.097 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)CC[C@H]1C(=O)[O-] ZINC000861719741 661397202 /nfs/dbraw/zinc/39/72/02/661397202.db2.gz NOAUNCXKPKSDJT-GHMZBOCLSA-N -1 0 362.448 -0.115 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)CC[C@@H]1C(=O)[O-] ZINC000861719742 661397182 /nfs/dbraw/zinc/39/71/82/661397182.db2.gz NOAUNCXKPKSDJT-MNOVXSKESA-N -1 0 362.448 -0.115 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)CC[C@@H]1C(=O)[O-] ZINC000861719743 661397114 /nfs/dbraw/zinc/39/71/14/661397114.db2.gz NOAUNCXKPKSDJT-QWRGUYRKSA-N -1 0 362.448 -0.115 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)CC[C@H]1C(=O)[O-] ZINC000861719744 661397326 /nfs/dbraw/zinc/39/73/26/661397326.db2.gz NOAUNCXKPKSDJT-WDEREUQCSA-N -1 0 362.448 -0.115 20 0 FBADRM COC(=O)C1=CC[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC000861720767 661397494 /nfs/dbraw/zinc/39/74/94/661397494.db2.gz GUGIMQSTGSMXCO-LLVKDONJSA-N -1 0 354.359 -0.638 20 0 FBADRM COC(=O)C1=CC[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC000861720768 661397380 /nfs/dbraw/zinc/39/73/80/661397380.db2.gz GUGIMQSTGSMXCO-NSHDSACASA-N -1 0 354.359 -0.638 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)CC[C@H]1C(=O)[O-] ZINC000861722836 661397374 /nfs/dbraw/zinc/39/73/74/661397374.db2.gz FSBIXAMZFTVXHO-ADEWGFFLSA-N -1 0 353.375 -0.345 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)CC[C@@H]1C(=O)[O-] ZINC000861722837 661397669 /nfs/dbraw/zinc/39/76/69/661397669.db2.gz FSBIXAMZFTVXHO-JLLWLGSASA-N -1 0 353.375 -0.345 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)CC[C@@H]1C(=O)[O-] ZINC000861722838 661397541 /nfs/dbraw/zinc/39/75/41/661397541.db2.gz FSBIXAMZFTVXHO-USWWRNFRSA-N -1 0 353.375 -0.345 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)CC[C@H]1C(=O)[O-] ZINC000861722839 661397659 /nfs/dbraw/zinc/39/76/59/661397659.db2.gz FSBIXAMZFTVXHO-YUSALJHKSA-N -1 0 353.375 -0.345 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)Nn2c(=O)[n-][nH]c2=O)C1 ZINC000861817942 661400171 /nfs/dbraw/zinc/40/01/71/661400171.db2.gz VMFVBPZHNGEOON-RMLUDKJBSA-N -1 0 355.351 -0.215 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(C(=O)OC)cnc1Cl ZINC000861899551 661401173 /nfs/dbraw/zinc/40/11/73/661401173.db2.gz OOBNIWQTKALYHZ-UHFFFAOYSA-N -1 0 358.738 -0.356 20 0 FBADRM CCN1C(=O)CO[C@H](C(=O)[N-]O[C@@H](CO)C(C)C)[C@H]1c1nccn1C ZINC000861907357 661401489 /nfs/dbraw/zinc/40/14/89/661401489.db2.gz NHWKJAZIVUSKJD-UBHSHLNASA-N -1 0 354.407 -0.227 20 0 FBADRM CCN1C(=O)CO[C@H](C(=O)[N-]O[C@H](CO)C(C)C)[C@H]1c1nccn1C ZINC000861907358 661401558 /nfs/dbraw/zinc/40/15/58/661401558.db2.gz NHWKJAZIVUSKJD-XBFCOCLRSA-N -1 0 354.407 -0.227 20 0 FBADRM O=C(NC[C@@H]1COCO1)c1cccc(C(=O)NC[C@@H]2COCO2)c1[O-] ZINC000861978667 661402679 /nfs/dbraw/zinc/40/26/79/661402679.db2.gz PRKBNFGPHZDHOZ-GHMZBOCLSA-N -1 0 352.343 -0.402 20 0 FBADRM O=C(NC[C@@H]1COCO1)c1cccc(C(=O)NC[C@H]2COCO2)c1[O-] ZINC000861978669 661402694 /nfs/dbraw/zinc/40/26/94/661402694.db2.gz PRKBNFGPHZDHOZ-PHIMTYICSA-N -1 0 352.343 -0.402 20 0 FBADRM O=C(NC[C@H]1COCO1)c1cccc(C(=O)NC[C@H]2COCO2)c1[O-] ZINC000861978673 661402655 /nfs/dbraw/zinc/40/26/55/661402655.db2.gz PRKBNFGPHZDHOZ-QWRGUYRKSA-N -1 0 352.343 -0.402 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C1(O)CN(C(=O)OCc2ccccc2)C1 ZINC000862130366 661405837 /nfs/dbraw/zinc/40/58/37/661405837.db2.gz GAFJGCMREKIXFV-UHFFFAOYSA-N -1 0 351.359 -0.446 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(=O)OC ZINC000862208989 661407317 /nfs/dbraw/zinc/40/73/17/661407317.db2.gz MIGUSLDDLPZFPC-SECBINFHSA-N -1 0 363.319 -0.093 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(=O)OC ZINC000862208991 661407465 /nfs/dbraw/zinc/40/74/65/661407465.db2.gz MIGUSLDDLPZFPC-VIFPVBQESA-N -1 0 363.319 -0.093 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)C(=O)OC ZINC000862209512 661407240 /nfs/dbraw/zinc/40/72/40/661407240.db2.gz RSOLQZRTXFOCTG-SECBINFHSA-N -1 0 361.328 -0.527 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)C(=O)OC ZINC000862209519 661407358 /nfs/dbraw/zinc/40/73/58/661407358.db2.gz RSOLQZRTXFOCTG-VIFPVBQESA-N -1 0 361.328 -0.527 20 0 FBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)[N-]OCCN1CCCC1=O ZINC000862217677 661407261 /nfs/dbraw/zinc/40/72/61/661407261.db2.gz NWORPMNLYYSXQX-UHFFFAOYSA-N -1 0 356.423 -0.534 20 0 FBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N(CCO)CCOCCO ZINC000862248133 661407693 /nfs/dbraw/zinc/40/76/93/661407693.db2.gz RQIMPPYLKQDYTA-UHFFFAOYSA-N -1 0 367.427 -0.485 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N(CCO)CCOCCO)cc2[n-]c1=S ZINC000862248176 661407702 /nfs/dbraw/zinc/40/77/02/661407702.db2.gz SEGWICAWCQHJQD-UHFFFAOYSA-N -1 0 367.427 -0.334 20 0 FBADRM CS(=O)(=O)c1ccc([C@H]2CN(C(=O)c3cc(=O)[nH][n-]3)CCO2)cc1 ZINC000862446699 661408683 /nfs/dbraw/zinc/40/86/83/661408683.db2.gz HNOMTNJUSJKGCS-CYBMUJFWSA-N -1 0 351.384 -0.134 20 0 FBADRM CS(=O)(=O)c1ccc([C@@H]2CN(C(=O)c3cc(=O)[nH][n-]3)CCO2)cc1 ZINC000862446700 661408687 /nfs/dbraw/zinc/40/86/87/661408687.db2.gz HNOMTNJUSJKGCS-ZDUSSCGKSA-N -1 0 351.384 -0.134 20 0 FBADRM CNC(=O)NC[C@@H]1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CCO1 ZINC000862637941 661410005 /nfs/dbraw/zinc/41/00/05/661410005.db2.gz PTHUHRRNNSAJKD-MRVPVSSYSA-N -1 0 354.329 -0.400 20 0 FBADRM CNC(=O)NC[C@H]1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CCO1 ZINC000862637942 661409962 /nfs/dbraw/zinc/40/99/62/661409962.db2.gz PTHUHRRNNSAJKD-QMMMGPOBSA-N -1 0 354.329 -0.400 20 0 FBADRM CNC(=O)NC[C@H]1CN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)CCO1 ZINC000862638983 661410020 /nfs/dbraw/zinc/41/00/20/661410020.db2.gz WVIAJLXAMQCXGE-UWVGGRQHSA-N -1 0 368.356 -0.154 20 0 FBADRM CNC(=O)NC[C@@H]1CN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)CCO1 ZINC000862638984 661410034 /nfs/dbraw/zinc/41/00/34/661410034.db2.gz WVIAJLXAMQCXGE-ZJUUUORDSA-N -1 0 368.356 -0.154 20 0 FBADRM NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000862682667 661411272 /nfs/dbraw/zinc/41/12/72/661411272.db2.gz DCXGIPXFIDFWMM-SKDRFNHKSA-N -1 0 362.411 -0.478 20 0 FBADRM CCn1c(=O)c2ccc(C(=O)N3C[C@H](O)C[C@H]3C(N)=O)cc2[n-]c1=S ZINC000862683135 661411239 /nfs/dbraw/zinc/41/12/39/661411239.db2.gz SCBLIWOVUBPAGK-SKDRFNHKSA-N -1 0 362.411 -0.234 20 0 FBADRM O=C([N-]N1CCOC1=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000862694729 661411499 /nfs/dbraw/zinc/41/14/99/661411499.db2.gz GZWGOLMHPLINHM-UHFFFAOYSA-N -1 0 373.362 -0.056 20 0 FBADRM O=C([N-]N1CCOC1=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000862695280 661411514 /nfs/dbraw/zinc/41/15/14/661411514.db2.gz GWEFWPWPBMXVLC-UHFFFAOYSA-N -1 0 361.401 -0.134 20 0 FBADRM O=C([N-]N1CCOC1=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000862698264 661411448 /nfs/dbraw/zinc/41/14/48/661411448.db2.gz LQWMGJTYNOBRNG-UHFFFAOYSA-N -1 0 355.372 -0.196 20 0 FBADRM O=C([N-]Cc1ccc(C(=O)NN2CCS(=O)(=O)CC2)o1)C(F)(F)F ZINC000862728928 661411621 /nfs/dbraw/zinc/41/16/21/661411621.db2.gz AWOQKWSMWKPZDQ-UHFFFAOYSA-N -1 0 369.321 -0.167 20 0 FBADRM Cc1ccc(-n2[n-]c(C(=O)NN3CCS(=O)(=O)CC3)cc2=O)cc1 ZINC000862734987 661412382 /nfs/dbraw/zinc/41/23/82/661412382.db2.gz VNDBLXBFYNQKKH-UHFFFAOYSA-N -1 0 350.400 -0.151 20 0 FBADRM COc1ccc(-n2cc([O-])c(C(=O)NN3CCS(=O)(=O)CC3)n2)cc1 ZINC000862735246 661412341 /nfs/dbraw/zinc/41/23/41/661412341.db2.gz ZUHDHEPMGNBWJF-UHFFFAOYSA-N -1 0 366.399 -0.038 20 0 FBADRM Cc1cc(C(=O)NN2CCS(=O)(=O)CC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000862735369 661412395 /nfs/dbraw/zinc/41/23/95/661412395.db2.gz AEDFLXSSZWFIGF-UHFFFAOYSA-N -1 0 353.360 -0.880 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NN1CCS(=O)(=O)CC1 ZINC000862736545 661412847 /nfs/dbraw/zinc/41/28/47/661412847.db2.gz RAYHTESKXJVXOM-UHFFFAOYSA-N -1 0 361.445 -0.177 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NN3CCS(=O)(=O)CC3)cc2[n-]c1=S ZINC000862737942 661413290 /nfs/dbraw/zinc/41/32/90/661413290.db2.gz HKSNMLDAMJSYSE-UHFFFAOYSA-N -1 0 368.440 -0.403 20 0 FBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NN1CCS(=O)(=O)CC1 ZINC000862737953 661413360 /nfs/dbraw/zinc/41/33/60/661413360.db2.gz IAIGHTBQMDBOGT-UHFFFAOYSA-N -1 0 368.440 -0.553 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NN1CCS(=O)(=O)CC1 ZINC000862737978 661413346 /nfs/dbraw/zinc/41/33/46/661413346.db2.gz JCSOFIRESYLMEL-UHFFFAOYSA-N -1 0 365.408 -0.428 20 0 FBADRM CCN=c1nc2[n-]nc(SCC(=O)Nn3cccn3)n2c(NCC)n1 ZINC000862765777 661413845 /nfs/dbraw/zinc/41/38/45/661413845.db2.gz KYJVJCOVBPXZCR-UHFFFAOYSA-N -1 0 362.423 -0.136 20 0 FBADRM CS(=O)(=O)NC1CN(C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)C1 ZINC000862838856 661414217 /nfs/dbraw/zinc/41/42/17/661414217.db2.gz FIDPIJYAMHMWIS-UHFFFAOYSA-N -1 0 369.321 -0.168 20 0 FBADRM CS(=O)(=O)NC1CN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000862840661 661414355 /nfs/dbraw/zinc/41/43/55/661414355.db2.gz NGFWVTCFOCCSKJ-UHFFFAOYSA-N -1 0 368.440 -0.555 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N3CC(NS(C)(=O)=O)C3)cc2[n-]c1=S ZINC000862840754 661414361 /nfs/dbraw/zinc/41/43/61/661414361.db2.gz REWYFRWEYGEBHV-UHFFFAOYSA-N -1 0 368.440 -0.404 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000862848125 661414761 /nfs/dbraw/zinc/41/47/61/661414761.db2.gz UKCDELKYWDNKDS-GHMZBOCLSA-N -1 0 368.419 -0.952 20 0 FBADRM CN(CCOCCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)OC(C)(C)C ZINC000862854986 661414841 /nfs/dbraw/zinc/41/48/41/661414841.db2.gz REQAILQLAKWMKA-UHFFFAOYSA-N -1 0 357.367 -0.104 20 0 FBADRM COC(=O)COCCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000862952676 661416287 /nfs/dbraw/zinc/41/62/87/661416287.db2.gz NTPLMCLGHFWJKP-UHFFFAOYSA-N -1 0 351.384 -0.009 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCn1cnc2c1ncnc2N ZINC000862972605 661416632 /nfs/dbraw/zinc/41/66/32/661416632.db2.gz MDVBOZNOJLLYSR-UHFFFAOYSA-N -1 0 359.312 -0.018 20 0 FBADRM CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000862985588 661417059 /nfs/dbraw/zinc/41/70/59/661417059.db2.gz JUUTWFSCBRIETA-MRVPVSSYSA-N -1 0 355.351 -0.352 20 0 FBADRM CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000862985589 661417023 /nfs/dbraw/zinc/41/70/23/661417023.db2.gz JUUTWFSCBRIETA-QMMMGPOBSA-N -1 0 355.351 -0.352 20 0 FBADRM COC(=O)C[C@@H](O)CNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000863016530 661417536 /nfs/dbraw/zinc/41/75/36/661417536.db2.gz QUJOJXWCDMGRFV-SECBINFHSA-N -1 0 351.384 -0.124 20 0 FBADRM COC(=O)C[C@H](O)CNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000863016531 661417484 /nfs/dbraw/zinc/41/74/84/661417484.db2.gz QUJOJXWCDMGRFV-VIFPVBQESA-N -1 0 351.384 -0.124 20 0 FBADRM COC(=O)C[C@@H](O)CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000863016707 661417479 /nfs/dbraw/zinc/41/74/79/661417479.db2.gz ULGVWJTUIFKHLH-SECBINFHSA-N -1 0 351.384 -0.275 20 0 FBADRM COC(=O)C[C@H](O)CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000863016708 661417533 /nfs/dbraw/zinc/41/75/33/661417533.db2.gz ULGVWJTUIFKHLH-VIFPVBQESA-N -1 0 351.384 -0.275 20 0 FBADRM CC(C)(C)OC(=O)NCCCOCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000863035444 661417788 /nfs/dbraw/zinc/41/77/88/661417788.db2.gz BSPGURGAGPYSNV-UHFFFAOYSA-N -1 0 357.367 -0.056 20 0 FBADRM CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000863044469 661417822 /nfs/dbraw/zinc/41/78/22/661417822.db2.gz YHSTYYYGZAQJRF-UHFFFAOYSA-N -1 0 357.367 -0.104 20 0 FBADRM COC(=O)CCNC(=O)CCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000863158065 661418135 /nfs/dbraw/zinc/41/81/35/661418135.db2.gz NGFVIIKSRFSIBI-UHFFFAOYSA-N -1 0 355.313 -0.371 20 0 FBADRM COC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1C ZINC000863399838 661420977 /nfs/dbraw/zinc/42/09/77/661420977.db2.gz VBUSOLOPJLWGBJ-UHFFFAOYSA-N -1 0 359.360 -0.348 20 0 FBADRM CCO[C@H](CS(=O)(=O)[N-]N=c1ccc(S(N)(=O)=O)c[nH]1)C1CC1 ZINC000863400230 661420901 /nfs/dbraw/zinc/42/09/01/661420901.db2.gz KIHGDDBEDFWWHT-LLVKDONJSA-N -1 0 364.449 -0.210 20 0 FBADRM CCO[C@@H](CS(=O)(=O)[N-]N=c1ccc(S(N)(=O)=O)c[nH]1)C1CC1 ZINC000863400231 661420969 /nfs/dbraw/zinc/42/09/69/661420969.db2.gz KIHGDDBEDFWWHT-NSHDSACASA-N -1 0 364.449 -0.210 20 0 FBADRM CON(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cnnn2C)cc1 ZINC000863401349 661420920 /nfs/dbraw/zinc/42/09/20/661420920.db2.gz YJYSAAIANCAXMC-UHFFFAOYSA-N -1 0 361.405 -0.202 20 0 FBADRM COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1C ZINC000863405978 661420941 /nfs/dbraw/zinc/42/09/41/661420941.db2.gz OVNCFZNVYFJCLD-JTQLQIEISA-N -1 0 359.360 -0.220 20 0 FBADRM COC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1C ZINC000863405979 661420985 /nfs/dbraw/zinc/42/09/85/661420985.db2.gz OVNCFZNVYFJCLD-SNVBAGLBSA-N -1 0 359.360 -0.220 20 0 FBADRM O=C([O-])[C@@H](CO)NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000863406204 661420982 /nfs/dbraw/zinc/42/09/82/661420982.db2.gz XSABEECULMQHNJ-MRVPVSSYSA-N -1 0 356.278 -0.089 20 0 FBADRM O=C([O-])[C@H](CO)NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000863406205 661420935 /nfs/dbraw/zinc/42/09/35/661420935.db2.gz XSABEECULMQHNJ-QMMMGPOBSA-N -1 0 356.278 -0.089 20 0 FBADRM CC(=O)C[C@@H](NS(=O)(=O)c1cccc(-c2nnnn2C)c1)C(=O)[O-] ZINC000863406941 661420988 /nfs/dbraw/zinc/42/09/88/661420988.db2.gz BDQPRNRBKPEGFA-LLVKDONJSA-N -1 0 353.360 -0.412 20 0 FBADRM CC(=O)C[C@H](NS(=O)(=O)c1cccc(-c2nnnn2C)c1)C(=O)[O-] ZINC000863406942 661420971 /nfs/dbraw/zinc/42/09/71/661420971.db2.gz BDQPRNRBKPEGFA-NSHDSACASA-N -1 0 353.360 -0.412 20 0 FBADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000863407193 661420996 /nfs/dbraw/zinc/42/09/96/661420996.db2.gz PNQPPXPNQYOAAQ-QMMMGPOBSA-N -1 0 356.278 -0.089 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)N[C@H](CC(C)=O)C(=O)[O-])c1 ZINC000863407742 661420918 /nfs/dbraw/zinc/42/09/18/661420918.db2.gz KUAWKDFPBHRABP-CYBMUJFWSA-N -1 0 372.399 -0.227 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CC(C)=O)C(=O)[O-])c1 ZINC000863407755 661420913 /nfs/dbraw/zinc/42/09/13/661420913.db2.gz KUAWKDFPBHRABP-ZDUSSCGKSA-N -1 0 372.399 -0.227 20 0 FBADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)N[C@@H](CC(C)=O)C(=O)[O-])cn1C ZINC000863407956 661420949 /nfs/dbraw/zinc/42/09/49/661420949.db2.gz LEHGUOCSXNVSKG-JTQLQIEISA-N -1 0 374.371 -0.519 20 0 FBADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)N[C@H](CC(C)=O)C(=O)[O-])cn1C ZINC000863407957 661420916 /nfs/dbraw/zinc/42/09/16/661420916.db2.gz LEHGUOCSXNVSKG-SNVBAGLBSA-N -1 0 374.371 -0.519 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)N[C@H](CC(C)=O)C(=O)[O-])OCC(=O)N2 ZINC000863407971 661420888 /nfs/dbraw/zinc/42/08/88/661420888.db2.gz LMTUMMQYOBALRC-SECBINFHSA-N -1 0 372.355 -0.263 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)N[C@@H](CC(C)=O)C(=O)[O-])OCC(=O)N2 ZINC000863407974 661420984 /nfs/dbraw/zinc/42/09/84/661420984.db2.gz LMTUMMQYOBALRC-VIFPVBQESA-N -1 0 372.355 -0.263 20 0 FBADRM COC(=O)c1cc(F)cc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1F ZINC000863408142 661420946 /nfs/dbraw/zinc/42/09/46/661420946.db2.gz KFZXPXVJAJZHEF-APPZFPTMSA-N -1 0 365.310 -0.040 20 0 FBADRM COC(=O)c1cc(F)cc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1F ZINC000863408143 661420980 /nfs/dbraw/zinc/42/09/80/661420980.db2.gz KFZXPXVJAJZHEF-VXNVDRBHSA-N -1 0 365.310 -0.040 20 0 FBADRM CC(=O)C[C@@H](NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)[O-] ZINC000863408513 661420968 /nfs/dbraw/zinc/42/09/68/661420968.db2.gz QDMIKJFPNWYFHC-CYBMUJFWSA-N -1 0 354.384 -0.137 20 0 FBADRM CC(=O)C[C@H](NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)[O-] ZINC000863408514 661420959 /nfs/dbraw/zinc/42/09/59/661420959.db2.gz QDMIKJFPNWYFHC-ZDUSSCGKSA-N -1 0 354.384 -0.137 20 0 FBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000863409180 661420922 /nfs/dbraw/zinc/42/09/22/661420922.db2.gz ZIKPDKMIKFJWEX-DGCLKSJQSA-N -1 0 366.395 -0.270 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000863409181 661420999 /nfs/dbraw/zinc/42/09/99/661420999.db2.gz ZIKPDKMIKFJWEX-YPMHNXCESA-N -1 0 366.395 -0.270 20 0 FBADRM CC(=O)C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000863409353 661421001 /nfs/dbraw/zinc/42/10/01/661421001.db2.gz YWEXXYFXMNOSFW-SECBINFHSA-N -1 0 350.374 -0.804 20 0 FBADRM CC(=O)C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000863409355 661420944 /nfs/dbraw/zinc/42/09/44/661420944.db2.gz YWEXXYFXMNOSFW-VIFPVBQESA-N -1 0 350.374 -0.804 20 0 FBADRM O=C([O-])[C@H](O)CNS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000863409939 661420951 /nfs/dbraw/zinc/42/09/51/661420951.db2.gz PNQPPXPNQYOAAQ-MRVPVSSYSA-N -1 0 356.278 -0.089 20 0 FBADRM Cc1ncc(S(=O)(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])n1C ZINC000863409962 661420963 /nfs/dbraw/zinc/42/09/63/661420963.db2.gz QEFLNAWJBQUCRU-VIFPVBQESA-N -1 0 362.408 -0.015 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)N[C@H](CC(C)=O)C(=O)[O-])CC1 ZINC000863410372 661421325 /nfs/dbraw/zinc/42/13/25/661421325.db2.gz BUGQQACNYRAGCF-LLVKDONJSA-N -1 0 350.393 -0.041 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)N[C@@H](CC(C)=O)C(=O)[O-])CC1 ZINC000863410373 661421216 /nfs/dbraw/zinc/42/12/16/661421216.db2.gz BUGQQACNYRAGCF-NSHDSACASA-N -1 0 350.393 -0.041 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](CC(C)=O)C(=O)[O-])C1 ZINC000863410540 661421234 /nfs/dbraw/zinc/42/12/34/661421234.db2.gz GQLCMDXWYARRGL-GHMZBOCLSA-N -1 0 350.393 -0.472 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](CC(C)=O)C(=O)[O-])C1 ZINC000863410541 661421297 /nfs/dbraw/zinc/42/12/97/661421297.db2.gz GQLCMDXWYARRGL-MNOVXSKESA-N -1 0 350.393 -0.472 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H](CC(C)=O)C(=O)[O-])C1 ZINC000863410542 661421260 /nfs/dbraw/zinc/42/12/60/661421260.db2.gz GQLCMDXWYARRGL-QWRGUYRKSA-N -1 0 350.393 -0.472 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@H](CC(C)=O)C(=O)[O-])C1 ZINC000863410543 661421193 /nfs/dbraw/zinc/42/11/93/661421193.db2.gz GQLCMDXWYARRGL-WDEREUQCSA-N -1 0 350.393 -0.472 20 0 FBADRM CC(=O)C[C@H](NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(=O)[O-] ZINC000863410912 661421251 /nfs/dbraw/zinc/42/12/51/661421251.db2.gz OHLHBUFGBBQGMZ-JTQLQIEISA-N -1 0 367.376 -0.060 20 0 FBADRM CC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(=O)[O-] ZINC000863410913 661421196 /nfs/dbraw/zinc/42/11/96/661421196.db2.gz OHLHBUFGBBQGMZ-SNVBAGLBSA-N -1 0 367.376 -0.060 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CC(C)=O)C(=O)[O-])cc1 ZINC000863411468 661421169 /nfs/dbraw/zinc/42/11/69/661421169.db2.gz ZEGIIBBNWPVRET-LLVKDONJSA-N -1 0 364.401 -0.695 20 0 FBADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CC(C)=O)C(=O)[O-])cc1 ZINC000863411469 661421294 /nfs/dbraw/zinc/42/12/94/661421294.db2.gz ZEGIIBBNWPVRET-NSHDSACASA-N -1 0 364.401 -0.695 20 0 FBADRM CC(=O)C[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000863411476 661421184 /nfs/dbraw/zinc/42/11/84/661421184.db2.gz ZJGACLPYTNAXFD-JTQLQIEISA-N -1 0 350.374 -0.955 20 0 FBADRM CC(=O)C[C@@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000863411477 661421273 /nfs/dbraw/zinc/42/12/73/661421273.db2.gz ZJGACLPYTNAXFD-SNVBAGLBSA-N -1 0 350.374 -0.955 20 0 FBADRM CO[C@@H]1CN(S(=O)(=O)N2CCC3(CC2)OCCO3)[C@](C)(C(=O)[O-])C1 ZINC000863411860 661421232 /nfs/dbraw/zinc/42/12/32/661421232.db2.gz BHHPTJCFGSNQCV-AAEUAGOBSA-N -1 0 364.420 -0.366 20 0 FBADRM CO[C@H]1CN(S(=O)(=O)N2CCC3(CC2)OCCO3)[C@@](C)(C(=O)[O-])C1 ZINC000863411861 661421311 /nfs/dbraw/zinc/42/13/11/661421311.db2.gz BHHPTJCFGSNQCV-DGCLKSJQSA-N -1 0 364.420 -0.366 20 0 FBADRM CO[C@@H]1CN(S(=O)(=O)N2CCC3(CC2)OCCO3)[C@@](C)(C(=O)[O-])C1 ZINC000863411862 661421276 /nfs/dbraw/zinc/42/12/76/661421276.db2.gz BHHPTJCFGSNQCV-WCQYABFASA-N -1 0 364.420 -0.366 20 0 FBADRM CO[C@H]1CN(S(=O)(=O)N2CCC3(CC2)OCCO3)[C@](C)(C(=O)[O-])C1 ZINC000863411863 661421189 /nfs/dbraw/zinc/42/11/89/661421189.db2.gz BHHPTJCFGSNQCV-YPMHNXCESA-N -1 0 364.420 -0.366 20 0 FBADRM O=C([O-])[C@H]1CC(F)(F)CN1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000863413059 661421261 /nfs/dbraw/zinc/42/12/61/661421261.db2.gz RFJMXKPCGPRIGF-SECBINFHSA-N -1 0 356.347 -0.136 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1 ZINC000863413773 661421268 /nfs/dbraw/zinc/42/12/68/661421268.db2.gz YYNZLIHIGNIJJT-SECBINFHSA-N -1 0 371.362 -0.201 20 0 FBADRM CC(C)OC[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000863416143 661421253 /nfs/dbraw/zinc/42/12/53/661421253.db2.gz CAHKXQCOTZXTAL-JTQLQIEISA-N -1 0 366.417 -0.358 20 0 FBADRM CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-])CC1 ZINC000863416433 661421241 /nfs/dbraw/zinc/42/12/41/661421241.db2.gz FXVPUEUDNMFXQK-LBPRGKRZSA-N -1 0 366.436 -0.026 20 0 FBADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-] ZINC000863416443 661421209 /nfs/dbraw/zinc/42/12/09/661421209.db2.gz GOFWZPOFTWPYIB-QWRGUYRKSA-N -1 0 352.409 -0.274 20 0 FBADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-] ZINC000863416444 661421244 /nfs/dbraw/zinc/42/12/44/661421244.db2.gz GOFWZPOFTWPYIB-WDEREUQCSA-N -1 0 352.409 -0.274 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-])cc1C(N)=O ZINC000863416800 661421219 /nfs/dbraw/zinc/42/12/19/661421219.db2.gz OFEHOVGFYCOEAW-NSHDSACASA-N -1 0 360.388 -0.049 20 0 FBADRM CC(C)OC[C@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000863416921 661421238 /nfs/dbraw/zinc/42/12/38/661421238.db2.gz OSDCRIHKWUNWHI-LBPRGKRZSA-N -1 0 355.376 -0.181 20 0 FBADRM CC(C)OC[C@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-] ZINC000863416946 661421175 /nfs/dbraw/zinc/42/11/75/661421175.db2.gz PBLVCJWFHRMHIG-LBPRGKRZSA-N -1 0 355.376 -0.181 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-])CC1 ZINC000863417509 661421281 /nfs/dbraw/zinc/42/12/81/661421281.db2.gz WZZKMDOCJYDZLG-NSHDSACASA-N -1 0 352.409 -0.416 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-])CC1 ZINC000863417710 661421303 /nfs/dbraw/zinc/42/13/03/661421303.db2.gz YOQUBZXGSHTRRC-NSHDSACASA-N -1 0 367.424 -0.527 20 0 FBADRM CC(C)OC[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000863418796 661421314 /nfs/dbraw/zinc/42/13/14/661421314.db2.gz FZFOFDIGIFCUTN-NSHDSACASA-N -1 0 366.417 -0.510 20 0 FBADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-])C1 ZINC000863418826 661421307 /nfs/dbraw/zinc/42/13/07/661421307.db2.gz HHVHQGGTKKJNRK-NEPJUHHUSA-N -1 0 366.436 -0.026 20 0 FBADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-])C1 ZINC000863418827 661421228 /nfs/dbraw/zinc/42/12/28/661421228.db2.gz HHVHQGGTKKJNRK-RYUDHWBXSA-N -1 0 366.436 -0.026 20 0 FBADRM CC(C)OC[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)[O-] ZINC000863418876 661421204 /nfs/dbraw/zinc/42/12/04/661421204.db2.gz IUDZALMPEPUXKK-NSHDSACASA-N -1 0 371.371 -0.627 20 0 FBADRM CC(C)OC[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000863419126 661421278 /nfs/dbraw/zinc/42/12/78/661421278.db2.gz UWNCWNVWFTYKMA-NSHDSACASA-N -1 0 366.417 -0.510 20 0 FBADRM O=C([O-])c1cnc(CNS(=O)(=O)N2CCC3(CC2)OCCO3)nc1 ZINC000863419970 661421317 /nfs/dbraw/zinc/42/13/17/661421317.db2.gz IZLFBQMBHQBJMO-UHFFFAOYSA-N -1 0 358.376 -0.652 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)NCc2ncc(C(=O)[O-])cn2)CC1 ZINC000863421465 661421512 /nfs/dbraw/zinc/42/15/12/661421512.db2.gz YIIPQRGTNTWCGN-UHFFFAOYSA-N -1 0 373.391 -0.717 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC[C@@](OC)(C(=O)[O-])C2)cc1C(N)=O ZINC000863430139 661421481 /nfs/dbraw/zinc/42/14/81/661421481.db2.gz RXWWXAJXTHMRRB-AWEZNQCLSA-N -1 0 358.372 -0.342 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC[C@](OC)(C(=O)[O-])C2)cc1C(N)=O ZINC000863430140 661421426 /nfs/dbraw/zinc/42/14/26/661421426.db2.gz RXWWXAJXTHMRRB-CQSZACIVSA-N -1 0 358.372 -0.342 20 0 FBADRM CNS(=O)(=O)CCCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000863433648 661421475 /nfs/dbraw/zinc/42/14/75/661421475.db2.gz CSWABZOBERLANP-UHFFFAOYSA-N -1 0 370.456 -0.259 20 0 FBADRM CNS(=O)(=O)CCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000863433893 661421780 /nfs/dbraw/zinc/42/17/80/661421780.db2.gz MMAUJLSMVFYNOA-UHFFFAOYSA-N -1 0 370.456 -0.109 20 0 FBADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)OC)n(C)n2)cn1C ZINC000863448782 661421842 /nfs/dbraw/zinc/42/18/42/661421842.db2.gz CXCASDUGAOLPRH-UHFFFAOYSA-N -1 0 355.376 -0.294 20 0 FBADRM COC(=O)c1cc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)OC)nn1C ZINC000863448974 661421863 /nfs/dbraw/zinc/42/18/63/661421863.db2.gz MWIIILQPAVTTCQ-UHFFFAOYSA-N -1 0 357.348 -0.174 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(C(=O)OC)n(C)n2)cn1 ZINC000863449047 661421733 /nfs/dbraw/zinc/42/17/33/661421733.db2.gz QHDRHQXDNNMOGZ-UHFFFAOYSA-N -1 0 357.348 -0.623 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc(C(=O)OC)n(C)n1 ZINC000863449165 661421809 /nfs/dbraw/zinc/42/18/09/661421809.db2.gz WELSBSUSILKRKS-UHFFFAOYSA-N -1 0 357.348 -0.093 20 0 FBADRM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)nn1C ZINC000863449609 661421769 /nfs/dbraw/zinc/42/17/69/661421769.db2.gz PYNUSSVRRYVAOH-UHFFFAOYSA-N -1 0 374.400 -0.194 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N3CCO[C@@H](CC(N)=O)C3)cc2[n-]c1=S ZINC000863486518 661422096 /nfs/dbraw/zinc/42/20/96/661422096.db2.gz JBKNJMZNNSGKKS-JTQLQIEISA-N -1 0 362.411 -0.061 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N3CCO[C@H](CC(N)=O)C3)cc2[n-]c1=S ZINC000863486519 661422006 /nfs/dbraw/zinc/42/20/06/661422006.db2.gz JBKNJMZNNSGKKS-SNVBAGLBSA-N -1 0 362.411 -0.061 20 0 FBADRM NC(=O)C[C@H]1CN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CCO1 ZINC000863486865 661422023 /nfs/dbraw/zinc/42/20/23/661422023.db2.gz NCWQUYABBYGPRI-JTQLQIEISA-N -1 0 362.411 -0.212 20 0 FBADRM NC(=O)C[C@@H]1CN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CCO1 ZINC000863486866 661421971 /nfs/dbraw/zinc/42/19/71/661421971.db2.gz NCWQUYABBYGPRI-SNVBAGLBSA-N -1 0 362.411 -0.212 20 0 FBADRM CN(C)S(=O)(=O)N1CC(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1 ZINC000863544097 661422846 /nfs/dbraw/zinc/42/28/46/661422846.db2.gz KTGAMTPSHSMVOV-UHFFFAOYSA-N -1 0 360.358 -0.950 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000863544592 661422852 /nfs/dbraw/zinc/42/28/52/661422852.db2.gz YWCBIBLVMBTZQJ-VIFPVBQESA-N -1 0 374.385 -0.704 20 0 FBADRM CN(C)S(=O)(=O)N1CC(NC(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000863544923 661422968 /nfs/dbraw/zinc/42/29/68/661422968.db2.gz DTEZFAUDVMLUBD-UHFFFAOYSA-N -1 0 351.388 -0.444 20 0 FBADRM CN(C)S(=O)(=O)N1CC(NC(=O)CSc2n[n-]c(=S)s2)C1 ZINC000863545189 661423038 /nfs/dbraw/zinc/42/30/38/661423038.db2.gz KKWYJSXNEGPCFY-UHFFFAOYSA-N -1 0 369.519 -0.474 20 0 FBADRM CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000863553354 661423620 /nfs/dbraw/zinc/42/36/20/661423620.db2.gz ACFITTRUDSMSSI-JTQLQIEISA-N -1 0 366.399 -0.274 20 0 FBADRM CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000863553355 661423679 /nfs/dbraw/zinc/42/36/79/661423679.db2.gz ACFITTRUDSMSSI-SNVBAGLBSA-N -1 0 366.399 -0.274 20 0 FBADRM CO[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nonc2C)C1 ZINC000863618797 661424741 /nfs/dbraw/zinc/42/47/41/661424741.db2.gz DLNRXACLKSKUDN-MGCOHNPYSA-N -1 0 368.437 -0.393 20 0 FBADRM CO[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)C1 ZINC000863618926 661424675 /nfs/dbraw/zinc/42/46/75/661424675.db2.gz IUADMMWIMXAEMA-KYZUINATSA-N -1 0 370.478 -0.233 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@H]1C[C@@H](O)C1)[N-]c1cnsn1 ZINC000863619861 661424754 /nfs/dbraw/zinc/42/47/54/661424754.db2.gz QCLVIGXMPFNUQR-DTORHVGOSA-N -1 0 370.478 -0.640 20 0 FBADRM CON(C)C(=O)[C@H](C)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000863623034 661424762 /nfs/dbraw/zinc/42/47/62/661424762.db2.gz LYHNDHAKCURXIQ-QMMMGPOBSA-N -1 0 365.358 -0.232 20 0 FBADRM CON(C)C(=O)[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000863629531 661424995 /nfs/dbraw/zinc/42/49/95/661424995.db2.gz BVGVKMPBXCUBGH-VIFPVBQESA-N -1 0 359.404 -0.219 20 0 FBADRM CON(C)C(=O)[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000863701994 661425539 /nfs/dbraw/zinc/42/55/39/661425539.db2.gz LYHNDHAKCURXIQ-MRVPVSSYSA-N -1 0 365.358 -0.232 20 0 FBADRM CON(C)C(=O)[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000863707631 661425881 /nfs/dbraw/zinc/42/58/81/661425881.db2.gz BVGVKMPBXCUBGH-SECBINFHSA-N -1 0 359.404 -0.219 20 0 FBADRM CCOC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC000863745825 661425888 /nfs/dbraw/zinc/42/58/88/661425888.db2.gz SMXLOQYALRFDEU-NEPJUHHUSA-N -1 0 355.391 -0.144 20 0 FBADRM CCOC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC000863745826 661425912 /nfs/dbraw/zinc/42/59/12/661425912.db2.gz SMXLOQYALRFDEU-NWDGAFQWSA-N -1 0 355.391 -0.144 20 0 FBADRM CCOC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC000863745827 661425811 /nfs/dbraw/zinc/42/58/11/661425811.db2.gz SMXLOQYALRFDEU-RYUDHWBXSA-N -1 0 355.391 -0.144 20 0 FBADRM CCOC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC000863745828 661425848 /nfs/dbraw/zinc/42/58/48/661425848.db2.gz SMXLOQYALRFDEU-VXGBXAGGSA-N -1 0 355.391 -0.144 20 0 FBADRM CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000863746682 661426169 /nfs/dbraw/zinc/42/61/69/661426169.db2.gz KFHLEGUGCMFGDW-NEPJUHHUSA-N -1 0 362.448 -0.163 20 0 FBADRM CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000863746683 661426107 /nfs/dbraw/zinc/42/61/07/661426107.db2.gz KFHLEGUGCMFGDW-NWDGAFQWSA-N -1 0 362.448 -0.163 20 0 FBADRM CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000863746685 661425894 /nfs/dbraw/zinc/42/58/94/661425894.db2.gz KFHLEGUGCMFGDW-RYUDHWBXSA-N -1 0 362.448 -0.163 20 0 FBADRM CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000863746686 661426158 /nfs/dbraw/zinc/42/61/58/661426158.db2.gz KFHLEGUGCMFGDW-VXGBXAGGSA-N -1 0 362.448 -0.163 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)CC[C@H]1C(=O)[O-] ZINC000863746777 661426065 /nfs/dbraw/zinc/42/60/65/661426065.db2.gz KUERRFOTWCLVJL-KKOKHZNYSA-N -1 0 353.375 -0.488 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)CC[C@H]1C(=O)[O-] ZINC000863746778 661426175 /nfs/dbraw/zinc/42/61/75/661426175.db2.gz KUERRFOTWCLVJL-QCNOEVLYSA-N -1 0 353.375 -0.488 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)CC[C@@H]1C(=O)[O-] ZINC000863746780 661426036 /nfs/dbraw/zinc/42/60/36/661426036.db2.gz KUERRFOTWCLVJL-USZNOCQGSA-N -1 0 353.375 -0.488 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)CC[C@@H]1C(=O)[O-] ZINC000863746783 661426073 /nfs/dbraw/zinc/42/60/73/661426073.db2.gz KUERRFOTWCLVJL-WYUUTHIRSA-N -1 0 353.375 -0.488 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O)CC[C@H]1C(=O)[O-] ZINC000863746818 661426098 /nfs/dbraw/zinc/42/60/98/661426098.db2.gz LERUTTANFRHZIV-GHMZBOCLSA-N -1 0 362.448 -0.163 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O)CC[C@@H]1C(=O)[O-] ZINC000863746822 661426144 /nfs/dbraw/zinc/42/61/44/661426144.db2.gz LERUTTANFRHZIV-MNOVXSKESA-N -1 0 362.448 -0.163 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O)CC[C@@H]1C(=O)[O-] ZINC000863746825 661426152 /nfs/dbraw/zinc/42/61/52/661426152.db2.gz LERUTTANFRHZIV-QWRGUYRKSA-N -1 0 362.448 -0.163 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O)CC[C@H]1C(=O)[O-] ZINC000863746828 661426139 /nfs/dbraw/zinc/42/61/39/661426139.db2.gz LERUTTANFRHZIV-WDEREUQCSA-N -1 0 362.448 -0.163 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC(=O)N(C)C)C2)CC[C@H]1C(=O)[O-] ZINC000863747231 661426122 /nfs/dbraw/zinc/42/61/22/661426122.db2.gz OEQVGVIJWWMCBK-GRYCIOLGSA-N -1 0 355.391 -0.145 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](OC(=O)N(C)C)C2)CC[C@H]1C(=O)[O-] ZINC000863747233 661426103 /nfs/dbraw/zinc/42/61/03/661426103.db2.gz OEQVGVIJWWMCBK-IJLUTSLNSA-N -1 0 355.391 -0.145 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](OC(=O)N(C)C)C2)CC[C@@H]1C(=O)[O-] ZINC000863747234 661426079 /nfs/dbraw/zinc/42/60/79/661426079.db2.gz OEQVGVIJWWMCBK-UTUOFQBUSA-N -1 0 355.391 -0.145 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC(=O)N(C)C)C2)CC[C@@H]1C(=O)[O-] ZINC000863747236 661426164 /nfs/dbraw/zinc/42/61/64/661426164.db2.gz OEQVGVIJWWMCBK-WOPDTQHZSA-N -1 0 355.391 -0.145 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)CC[C@H]1C(=O)[O-] ZINC000863747563 661426088 /nfs/dbraw/zinc/42/60/88/661426088.db2.gz REDBBHWALIRPMC-KKOKHZNYSA-N -1 0 353.375 -0.488 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)CC[C@H]1C(=O)[O-] ZINC000863747564 661426094 /nfs/dbraw/zinc/42/60/94/661426094.db2.gz REDBBHWALIRPMC-QCNOEVLYSA-N -1 0 353.375 -0.488 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)CC[C@@H]1C(=O)[O-] ZINC000863747565 661426173 /nfs/dbraw/zinc/42/61/73/661426173.db2.gz REDBBHWALIRPMC-USZNOCQGSA-N -1 0 353.375 -0.488 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)CC[C@@H]1C(=O)[O-] ZINC000863747566 661426135 /nfs/dbraw/zinc/42/61/35/661426135.db2.gz REDBBHWALIRPMC-WYUUTHIRSA-N -1 0 353.375 -0.488 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N(CCS(C)(=O)=O)C2CC2)CC[C@H]1C(=O)[O-] ZINC000863748389 661426067 /nfs/dbraw/zinc/42/60/67/661426067.db2.gz XOWDURILTRYHSF-CMPLNLGQSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N(CCS(C)(=O)=O)C2CC2)CC[C@@H]1C(=O)[O-] ZINC000863748390 661426055 /nfs/dbraw/zinc/42/60/55/661426055.db2.gz XOWDURILTRYHSF-JQWIXIFHSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N(CCS(C)(=O)=O)C2CC2)CC[C@@H]1C(=O)[O-] ZINC000863748391 661426161 /nfs/dbraw/zinc/42/61/61/661426161.db2.gz XOWDURILTRYHSF-PWSUYJOCSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N(CCS(C)(=O)=O)C2CC2)CC[C@H]1C(=O)[O-] ZINC000863748392 661426195 /nfs/dbraw/zinc/42/61/95/661426195.db2.gz XOWDURILTRYHSF-ZYHUDNBSSA-N -1 0 360.432 -0.409 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)c1 ZINC000863758214 661426683 /nfs/dbraw/zinc/42/66/83/661426683.db2.gz XIISDTNHWRLZNJ-BXKDBHETSA-N -1 0 354.384 -0.113 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000863765097 661427019 /nfs/dbraw/zinc/42/70/19/661427019.db2.gz MZNNMGNWNMOPEU-RKDXNWHRSA-N -1 0 360.338 -0.126 20 0 FBADRM CN1CC(=O)Nc2cc(C(=O)Nc3n[n-]c(S(C)(=O)=O)n3)cnc21 ZINC000863861874 661428750 /nfs/dbraw/zinc/42/87/50/661428750.db2.gz CAENFYIOPBMTQT-UHFFFAOYSA-N -1 0 351.348 -0.756 20 0 FBADRM O=C(NN1CCS(=O)(=O)CC1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000863937629 661429235 /nfs/dbraw/zinc/42/92/35/661429235.db2.gz SWSZQCZQUPYJOF-UHFFFAOYSA-N -1 0 354.413 -0.001 20 0 FBADRM CS(=O)(=O)NC1CN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000863938897 661429340 /nfs/dbraw/zinc/42/93/40/661429340.db2.gz RLTPXBHALIZRBC-UHFFFAOYSA-N -1 0 354.413 -0.002 20 0 FBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C3(C(=O)[O-])CCSCC3)C[C@H]21 ZINC000864059160 661430876 /nfs/dbraw/zinc/43/08/76/661430876.db2.gz ZECJFFMFVKVKBA-AXFHLTTASA-N -1 0 363.457 -0.145 20 0 FBADRM C[C@@H](O)[C@H](O)CNC(=O)c1cnc(I)c([O-])c1 ZINC000864075813 661430881 /nfs/dbraw/zinc/43/08/81/661430881.db2.gz YUVCCFSFXZEVML-SVGQVSJJSA-N -1 0 352.128 -0.137 20 0 FBADRM C[C@H](O)[C@@H](O)CNC(=O)c1cnc(I)c([O-])c1 ZINC000864075814 661430870 /nfs/dbraw/zinc/43/08/70/661430870.db2.gz YUVCCFSFXZEVML-XNCJUZBTSA-N -1 0 352.128 -0.137 20 0 FBADRM C[C@@H](O)[C@@H](O)CNC(=O)c1cnc(I)c([O-])c1 ZINC000864075815 661430838 /nfs/dbraw/zinc/43/08/38/661430838.db2.gz YUVCCFSFXZEVML-XRGYYRRGSA-N -1 0 352.128 -0.137 20 0 FBADRM C[C@H](O)[C@H](O)CNC(=O)c1cnc(I)c([O-])c1 ZINC000864075816 661430772 /nfs/dbraw/zinc/43/07/72/661430772.db2.gz YUVCCFSFXZEVML-YLWLKBPMSA-N -1 0 352.128 -0.137 20 0 FBADRM C[C@@H]1C[C@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)O[C@H]1C(=O)[O-] ZINC000864100756 661431137 /nfs/dbraw/zinc/43/11/37/661431137.db2.gz WUPJWAJOBUVDJX-OASPWFOLSA-N -1 0 356.400 -0.129 20 0 FBADRM CNS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)cc1 ZINC000864101598 661431170 /nfs/dbraw/zinc/43/11/70/661431170.db2.gz HBLWHNWMYAAVBC-QWHCGFSZSA-N -1 0 356.400 -0.016 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC000864102021 661431200 /nfs/dbraw/zinc/43/12/00/661431200.db2.gz AFDWISDWAIUXPX-UHFFFAOYSA-N -1 0 358.420 -0.098 20 0 FBADRM Cn1nc(C(=O)[O-])cc1C(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000864104026 661431156 /nfs/dbraw/zinc/43/11/56/661431156.db2.gz VTYGBBQHHXBJMP-UHFFFAOYSA-N -1 0 366.399 -0.032 20 0 FBADRM O=C(/C=C/c1cc(C(=O)[O-])co1)NCCS(=O)(=O)N1CCOCC1 ZINC000864107271 661431124 /nfs/dbraw/zinc/43/11/24/661431124.db2.gz BNFIJOJNRMWCOB-OWOJBTEDSA-N -1 0 358.372 -0.231 20 0 FBADRM O=C(/C=C\c1cc(C(=O)[O-])co1)NCCS(=O)(=O)N1CCOCC1 ZINC000864107272 661431076 /nfs/dbraw/zinc/43/10/76/661431076.db2.gz BNFIJOJNRMWCOB-UPHRSURJSA-N -1 0 358.372 -0.231 20 0 FBADRM O=C(CC1(C(=O)[O-])CCOCC1)NCCS(=O)(=O)N1CCOCC1 ZINC000864107305 661431002 /nfs/dbraw/zinc/43/10/02/661431002.db2.gz DFDGVGOMILHJLS-UHFFFAOYSA-N -1 0 364.420 -0.964 20 0 FBADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)NCCS(=O)(=O)N1CCOCC1 ZINC000864107490 661431069 /nfs/dbraw/zinc/43/10/69/661431069.db2.gz LSKMPVFKBCWRNM-DUXPYHPUSA-N -1 0 358.372 -0.231 20 0 FBADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)NCCS(=O)(=O)N1CCOCC1 ZINC000864107491 661431145 /nfs/dbraw/zinc/43/11/45/661431145.db2.gz LSKMPVFKBCWRNM-RQOWECAXSA-N -1 0 358.372 -0.231 20 0 FBADRM Cc1ncc(C(=O)[O-])cc1C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000864107624 661431182 /nfs/dbraw/zinc/43/11/82/661431182.db2.gz QJTQZILPSSIALS-UHFFFAOYSA-N -1 0 357.388 -0.520 20 0 FBADRM C[C@@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)C(=O)N1CCS(=O)(=O)CC1 ZINC000864109066 661431175 /nfs/dbraw/zinc/43/11/75/661431175.db2.gz MYGCGNNPJBNIGH-MXQLGCADSA-N -1 0 370.383 -0.247 20 0 FBADRM C[C@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)C(=O)N1CCS(=O)(=O)CC1 ZINC000864109067 661431129 /nfs/dbraw/zinc/43/11/29/661431129.db2.gz MYGCGNNPJBNIGH-PBKGFPTLSA-N -1 0 370.383 -0.247 20 0 FBADRM C[C@@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)C(=O)N1CCS(=O)(=O)CC1 ZINC000864109068 661431169 /nfs/dbraw/zinc/43/11/69/661431169.db2.gz MYGCGNNPJBNIGH-VMZHVLLKSA-N -1 0 370.383 -0.247 20 0 FBADRM C[C@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)C(=O)N1CCS(=O)(=O)CC1 ZINC000864109069 661431009 /nfs/dbraw/zinc/43/10/09/661431009.db2.gz MYGCGNNPJBNIGH-ZMWSMAPVSA-N -1 0 370.383 -0.247 20 0 FBADRM C[C@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)C(=O)N1CCS(=O)(=O)CC1 ZINC000864109336 661431029 /nfs/dbraw/zinc/43/10/29/661431029.db2.gz QIRMOHQLLWSHJO-ATPLWMGHSA-N -1 0 370.383 -0.247 20 0 FBADRM C[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)C(=O)N1CCS(=O)(=O)CC1 ZINC000864109337 661431164 /nfs/dbraw/zinc/43/11/64/661431164.db2.gz QIRMOHQLLWSHJO-GFAPAMAISA-N -1 0 370.383 -0.247 20 0 FBADRM C[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)C(=O)N1CCS(=O)(=O)CC1 ZINC000864109338 661431113 /nfs/dbraw/zinc/43/11/13/661431113.db2.gz QIRMOHQLLWSHJO-RXNUUUNCSA-N -1 0 370.383 -0.247 20 0 FBADRM C[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)C(=O)N1CCS(=O)(=O)CC1 ZINC000864109339 661431355 /nfs/dbraw/zinc/43/13/55/661431355.db2.gz QIRMOHQLLWSHJO-TZGMSPROSA-N -1 0 370.383 -0.247 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)CC1 ZINC000864124899 661431579 /nfs/dbraw/zinc/43/15/79/661431579.db2.gz KLAKYNDQUTZPJC-UHFFFAOYSA-N -1 0 373.435 -0.688 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CC1 ZINC000864124916 661431435 /nfs/dbraw/zinc/43/14/35/661431435.db2.gz LGADDXXXWGAKEP-NWDGAFQWSA-N -1 0 363.436 -0.651 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)c2cc(C(=O)[O-])nn2C)CC1 ZINC000864124945 661431522 /nfs/dbraw/zinc/43/15/22/661431522.db2.gz MOYGAZBQPQGNFI-UHFFFAOYSA-N -1 0 373.435 -0.537 20 0 FBADRM O=C([O-])c1cn(C2CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)nn1 ZINC000864132795 661431614 /nfs/dbraw/zinc/43/16/14/661431614.db2.gz HLOFSDHNKHGBPN-BDAKNGLRSA-N -1 0 350.253 -0.294 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)CC1 ZINC000864154668 661431597 /nfs/dbraw/zinc/43/15/97/661431597.db2.gz LVIDEOSAHKCZPX-GQCTYLIASA-N -1 0 357.388 -0.058 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)CC1 ZINC000864154669 661431482 /nfs/dbraw/zinc/43/14/82/661431482.db2.gz LVIDEOSAHKCZPX-XQRVVYSFSA-N -1 0 357.388 -0.058 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)CC1 ZINC000864154849 661431389 /nfs/dbraw/zinc/43/13/89/661431389.db2.gz NIMFUDKZMNBCBR-ARJAWSKDSA-N -1 0 357.388 -0.058 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)/C=C/c2cc(C(=O)[O-])co2)CC1 ZINC000864154850 661431380 /nfs/dbraw/zinc/43/13/80/661431380.db2.gz NIMFUDKZMNBCBR-ONEGZZNKSA-N -1 0 357.388 -0.058 20 0 FBADRM CC(C)(C(=O)[O-])N1CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000864159698 661431443 /nfs/dbraw/zinc/43/14/43/661431443.db2.gz YZRRPQXWKTTYSU-LLVKDONJSA-N -1 0 364.489 -0.086 20 0 FBADRM CC(C)(C(=O)[O-])N1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 ZINC000864159699 661431603 /nfs/dbraw/zinc/43/16/03/661431603.db2.gz YZRRPQXWKTTYSU-NSHDSACASA-N -1 0 364.489 -0.086 20 0 FBADRM CCn1ncc(CNC(=O)CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000864161029 661431592 /nfs/dbraw/zinc/43/15/92/661431592.db2.gz XFOKMBFETSRLRB-UHFFFAOYSA-N -1 0 367.387 -0.409 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000864163753 661431330 /nfs/dbraw/zinc/43/13/30/661431330.db2.gz BMGWVJDYDYZAGL-BXKDBHETSA-N -1 0 370.431 -0.007 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC000864163756 661431599 /nfs/dbraw/zinc/43/15/99/661431599.db2.gz BMGWVJDYDYZAGL-CABZTGNLSA-N -1 0 370.431 -0.007 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000864163760 661431596 /nfs/dbraw/zinc/43/15/96/661431596.db2.gz BMGWVJDYDYZAGL-JOYOIKCWSA-N -1 0 370.431 -0.007 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC000864163763 661431613 /nfs/dbraw/zinc/43/16/13/661431613.db2.gz BMGWVJDYDYZAGL-SKDRFNHKSA-N -1 0 370.431 -0.007 20 0 FBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 ZINC000864169372 661431397 /nfs/dbraw/zinc/43/13/97/661431397.db2.gz HQVGPLNCAZRREW-AWEZNQCLSA-N -1 0 355.372 -0.814 20 0 FBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 ZINC000864169374 661431586 /nfs/dbraw/zinc/43/15/86/661431586.db2.gz HQVGPLNCAZRREW-CQSZACIVSA-N -1 0 355.372 -0.814 20 0 FBADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC000864169855 661431530 /nfs/dbraw/zinc/43/15/30/661431530.db2.gz TWRNTLSZFOOMKZ-AWEZNQCLSA-N -1 0 355.372 -0.814 20 0 FBADRM CO[C@]1(C(=O)[O-])CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC000864169856 661431600 /nfs/dbraw/zinc/43/16/00/661431600.db2.gz TWRNTLSZFOOMKZ-CQSZACIVSA-N -1 0 355.372 -0.814 20 0 FBADRM O=C([O-])COCCNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000864171713 661431552 /nfs/dbraw/zinc/43/15/52/661431552.db2.gz DHOHNRJYJZLHKI-UHFFFAOYSA-N -1 0 373.383 -0.161 20 0 FBADRM O=C([O-])COCCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000864171788 661431425 /nfs/dbraw/zinc/43/14/25/661431425.db2.gz GXGHXIXWIQTEGA-UHFFFAOYSA-N -1 0 368.367 -0.176 20 0 FBADRM CN(CC(=O)NCCOCC(=O)[O-])C1=NS(=O)(=O)c2ccccc21 ZINC000864171813 661431491 /nfs/dbraw/zinc/43/14/91/661431491.db2.gz HZKVYRWYZHZMHZ-UHFFFAOYSA-N -1 0 355.372 -0.715 20 0 FBADRM CCN1C(=O)c2ccc(C(=O)NCCOCC(=O)[O-])cc2S1(=O)=O ZINC000864172460 661431594 /nfs/dbraw/zinc/43/15/94/661431594.db2.gz VFQHVVGJOKWZPO-UHFFFAOYSA-N -1 0 356.356 -0.318 20 0 FBADRM CO[C@@H]1CN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)[C@@](C)(C(=O)[O-])C1 ZINC000864180841 661431893 /nfs/dbraw/zinc/43/18/93/661431893.db2.gz BUTGFHSLRDCAAN-KUQGVMPVSA-N -1 0 351.359 -0.812 20 0 FBADRM CO[C@@H]1CN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)[C@](C)(C(=O)[O-])C1 ZINC000864180842 661431953 /nfs/dbraw/zinc/43/19/53/661431953.db2.gz BUTGFHSLRDCAAN-LCQFGSQSSA-N -1 0 351.359 -0.812 20 0 FBADRM CO[C@@H]1CN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)[C@@](C)(C(=O)[O-])C1 ZINC000864180843 661431816 /nfs/dbraw/zinc/43/18/16/661431816.db2.gz BUTGFHSLRDCAAN-NYKAPWDNSA-N -1 0 351.359 -0.812 20 0 FBADRM CO[C@@H]1CN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)[C@](C)(C(=O)[O-])C1 ZINC000864180844 661431808 /nfs/dbraw/zinc/43/18/08/661431808.db2.gz BUTGFHSLRDCAAN-ZVHVIUEGSA-N -1 0 351.359 -0.812 20 0 FBADRM CO[C@H]1CN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)[C@](C)(C(=O)[O-])C1 ZINC000864180928 661431852 /nfs/dbraw/zinc/43/18/52/661431852.db2.gz DXQJHWBZSHHNEU-ABAIWWIYSA-N -1 0 356.400 -0.033 20 0 FBADRM CO[C@H]1CN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)[C@@](C)(C(=O)[O-])C1 ZINC000864180929 661431714 /nfs/dbraw/zinc/43/17/14/661431714.db2.gz DXQJHWBZSHHNEU-IAQYHMDHSA-N -1 0 356.400 -0.033 20 0 FBADRM CO[C@@H]1CN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)[C@](C)(C(=O)[O-])C1 ZINC000864180930 661431707 /nfs/dbraw/zinc/43/17/07/661431707.db2.gz DXQJHWBZSHHNEU-NHYWBVRUSA-N -1 0 356.400 -0.033 20 0 FBADRM CO[C@@H]1CN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)[C@@](C)(C(=O)[O-])C1 ZINC000864180931 661431899 /nfs/dbraw/zinc/43/18/99/661431899.db2.gz DXQJHWBZSHHNEU-XHDPSFHLSA-N -1 0 356.400 -0.033 20 0 FBADRM CO[C@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)[C@](C)(C(=O)[O-])C1 ZINC000864180961 661431680 /nfs/dbraw/zinc/43/16/80/661431680.db2.gz FKZXXYDMBSSCRP-ABAIWWIYSA-N -1 0 369.399 -0.425 20 0 FBADRM CO[C@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)[C@@](C)(C(=O)[O-])C1 ZINC000864180962 661431763 /nfs/dbraw/zinc/43/17/63/661431763.db2.gz FKZXXYDMBSSCRP-IAQYHMDHSA-N -1 0 369.399 -0.425 20 0 FBADRM CO[C@@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)[C@](C)(C(=O)[O-])C1 ZINC000864180963 661431973 /nfs/dbraw/zinc/43/19/73/661431973.db2.gz FKZXXYDMBSSCRP-NHYWBVRUSA-N -1 0 369.399 -0.425 20 0 FBADRM CO[C@@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)[C@@](C)(C(=O)[O-])C1 ZINC000864180964 661431945 /nfs/dbraw/zinc/43/19/45/661431945.db2.gz FKZXXYDMBSSCRP-XHDPSFHLSA-N -1 0 369.399 -0.425 20 0 FBADRM CO[C@@H]1CN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)[C@](C)(C(=O)[O-])C1 ZINC000864181242 661431967 /nfs/dbraw/zinc/43/19/67/661431967.db2.gz MWBPTOBVPYREQZ-CWSCBRNRSA-N -1 0 351.446 -0.003 20 0 FBADRM CO[C@@H]1CN(C(=O)CS[C@H]2CCS(=O)(=O)C2)[C@](C)(C(=O)[O-])C1 ZINC000864181243 661431824 /nfs/dbraw/zinc/43/18/24/661431824.db2.gz MWBPTOBVPYREQZ-KWBADKCTSA-N -1 0 351.446 -0.003 20 0 FBADRM CO[C@@H]1CN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)[C@@](C)(C(=O)[O-])C1 ZINC000864181244 661431792 /nfs/dbraw/zinc/43/17/92/661431792.db2.gz MWBPTOBVPYREQZ-OPQQBVKSSA-N -1 0 351.446 -0.003 20 0 FBADRM CO[C@@H]1CN(C(=O)CS[C@H]2CCS(=O)(=O)C2)[C@@](C)(C(=O)[O-])C1 ZINC000864181245 661431971 /nfs/dbraw/zinc/43/19/71/661431971.db2.gz MWBPTOBVPYREQZ-OUJBWJOFSA-N -1 0 351.446 -0.003 20 0 FBADRM O=C([O-])[C@]1(CNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CCCOC1 ZINC000864192832 661431874 /nfs/dbraw/zinc/43/18/74/661431874.db2.gz GUCJCUKRHAFGLT-HNNXBMFYSA-N -1 0 369.399 -0.518 20 0 FBADRM O=C([O-])[C@@]1(CNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CCCOC1 ZINC000864192833 661431755 /nfs/dbraw/zinc/43/17/55/661431755.db2.gz GUCJCUKRHAFGLT-OAHLLOKOSA-N -1 0 369.399 -0.518 20 0 FBADRM O=C([O-])[C@]1(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CCCOC1 ZINC000864193594 661431685 /nfs/dbraw/zinc/43/16/85/661431685.db2.gz OAKQCJBGVFINRM-HNNXBMFYSA-N -1 0 369.399 -0.518 20 0 FBADRM O=C([O-])[C@@]1(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CCCOC1 ZINC000864193595 661431938 /nfs/dbraw/zinc/43/19/38/661431938.db2.gz OAKQCJBGVFINRM-OAHLLOKOSA-N -1 0 369.399 -0.518 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(C(=O)[O-])CCCOC2)cc1 ZINC000864193924 661431833 /nfs/dbraw/zinc/43/18/33/661431833.db2.gz RKDPTGAPGMRVGG-HNNXBMFYSA-N -1 0 356.400 -0.126 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)NC[C@]2(C(=O)[O-])CCCOC2)cc1 ZINC000864193926 661431843 /nfs/dbraw/zinc/43/18/43/661431843.db2.gz RKDPTGAPGMRVGG-OAHLLOKOSA-N -1 0 356.400 -0.126 20 0 FBADRM Cn1cc(/C=C/C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)c(=O)n(C)c1=O ZINC000864194551 661431776 /nfs/dbraw/zinc/43/17/76/661431776.db2.gz ZRTYVNWVUGENKT-APHBUQMISA-N -1 0 351.359 -0.905 20 0 FBADRM Cn1cc(/C=C\C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)c(=O)n(C)c1=O ZINC000864194553 661431928 /nfs/dbraw/zinc/43/19/28/661431928.db2.gz ZRTYVNWVUGENKT-AWFCHZOYSA-N -1 0 351.359 -0.905 20 0 FBADRM Cn1cc(/C=C/C(=O)NC[C@]2(C(=O)[O-])CCCOC2)c(=O)n(C)c1=O ZINC000864194559 661431913 /nfs/dbraw/zinc/43/19/13/661431913.db2.gz ZRTYVNWVUGENKT-DWTRPJMMSA-N -1 0 351.359 -0.905 20 0 FBADRM Cn1cc(/C=C\C(=O)NC[C@]2(C(=O)[O-])CCCOC2)c(=O)n(C)c1=O ZINC000864194561 661431934 /nfs/dbraw/zinc/43/19/34/661431934.db2.gz ZRTYVNWVUGENKT-YIEVGGLXSA-N -1 0 351.359 -0.905 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC1CC(C(=O)[O-])C1 ZINC000864205324 661431868 /nfs/dbraw/zinc/43/18/68/661431868.db2.gz IZNOQUHPZBPTBN-MFAVDMRSSA-N -1 0 358.420 -0.317 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC1CC(C(=O)[O-])C1 ZINC000864205325 661431730 /nfs/dbraw/zinc/43/17/30/661431730.db2.gz IZNOQUHPZBPTBN-PUSIOWJLSA-N -1 0 358.420 -0.317 20 0 FBADRM O=C([O-])C1CC(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 ZINC000864206211 661431903 /nfs/dbraw/zinc/43/19/03/661431903.db2.gz FAKYRJJUXUQUBA-UHFFFAOYSA-N -1 0 358.372 -0.107 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CC(C(=O)[O-])C1 ZINC000864206337 661431924 /nfs/dbraw/zinc/43/19/24/661431924.db2.gz KMNVKBQSUPOYEF-UHFFFAOYSA-N -1 0 371.415 -0.361 20 0 FBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=CN3CCS(=O)(=O)N=C3C=C1)C2 ZINC000864208396 661431693 /nfs/dbraw/zinc/43/16/93/661431693.db2.gz ALVCCBYLVLMEAS-ZETOZRRWSA-N -1 0 351.384 -0.147 20 0 FBADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=CC=CN3CCS(=O)(=O)N=C13)C2 ZINC000864209073 661431975 /nfs/dbraw/zinc/43/19/75/661431975.db2.gz UBYGZSUKIOCMHM-FTGAXOIBSA-N -1 0 351.384 -0.147 20 0 FBADRM CN(CC(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-])S(=O)(=O)c1ccccc1 ZINC000864211966 661431883 /nfs/dbraw/zinc/43/18/83/661431883.db2.gz OODHGUGGDKAMSH-FZMZJTMJSA-N -1 0 356.400 -0.087 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])ccc1OC ZINC000864212297 661431699 /nfs/dbraw/zinc/43/16/99/661431699.db2.gz DBGGTUSEEHYHKO-GWCFXTLKSA-N -1 0 372.399 -0.177 20 0 FBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000864212679 661431969 /nfs/dbraw/zinc/43/19/69/661431969.db2.gz SENZFJOMQIGZOD-MWLCHTKSSA-N -1 0 355.372 -0.910 20 0 FBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000864213294 661431769 /nfs/dbraw/zinc/43/17/69/661431769.db2.gz QULVXIWXFXOAOU-BXKDBHETSA-N -1 0 355.372 -0.910 20 0 FBADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])c1 ZINC000864213706 661431723 /nfs/dbraw/zinc/43/17/23/661431723.db2.gz BODPPXSLFNLKQW-CABZTGNLSA-N -1 0 359.404 -0.079 20 0 FBADRM O=C(CNC(=O)c1ccc2c(c1)OCO2)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC000864214244 661432167 /nfs/dbraw/zinc/43/21/67/661432167.db2.gz CTGOCJVMJCQKLL-QMTHXVAHSA-N -1 0 350.327 -0.249 20 0 FBADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)CCNS(=O)(=O)c1ccccc1 ZINC000864214836 661432224 /nfs/dbraw/zinc/43/22/24/661432224.db2.gz QYIQHEFQTCPUHH-BXUZGUMPSA-N -1 0 356.400 -0.039 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])n(C)c1 ZINC000864215168 661432102 /nfs/dbraw/zinc/43/21/02/661432102.db2.gz DLQDUDRAUKQKKP-CABZTGNLSA-N -1 0 359.404 -0.505 20 0 FBADRM O=C([O-])CS[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)C(F)(F)F ZINC000864219451 661432322 /nfs/dbraw/zinc/43/23/22/661432322.db2.gz HWPSJGTZERIPII-NTSWFWBYSA-N -1 0 350.340 -0.457 20 0 FBADRM O=C([O-])CS[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)C(F)(F)F ZINC000864219452 661432239 /nfs/dbraw/zinc/43/22/39/661432239.db2.gz HWPSJGTZERIPII-PHDIDXHHSA-N -1 0 350.340 -0.457 20 0 FBADRM O=C([O-])CS[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)C(F)(F)F ZINC000864219453 661432068 /nfs/dbraw/zinc/43/20/68/661432068.db2.gz HWPSJGTZERIPII-RITPCOANSA-N -1 0 350.340 -0.457 20 0 FBADRM O=C([O-])CS[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)C(F)(F)F ZINC000864219454 661432039 /nfs/dbraw/zinc/43/20/39/661432039.db2.gz HWPSJGTZERIPII-WDSKDSINSA-N -1 0 350.340 -0.457 20 0 FBADRM CN(C)S(=O)(=O)CC(=O)NC[C@H](SCC(=O)[O-])C(F)(F)F ZINC000864219631 661432319 /nfs/dbraw/zinc/43/23/19/661432319.db2.gz LWRRBBNYFVZBTC-LURJTMIESA-N -1 0 352.356 -0.257 20 0 FBADRM CN(C)S(=O)(=O)CC(=O)NC[C@@H](SCC(=O)[O-])C(F)(F)F ZINC000864219632 661432204 /nfs/dbraw/zinc/43/22/04/661432204.db2.gz LWRRBBNYFVZBTC-ZCFIWIBFSA-N -1 0 352.356 -0.257 20 0 FBADRM O=C([O-])CS[C@H](CNC(=O)CN1CCCS1(=O)=O)C(F)(F)F ZINC000864219887 661432165 /nfs/dbraw/zinc/43/21/65/661432165.db2.gz CRFATEXAOHTAFN-SSDOTTSWSA-N -1 0 364.367 -0.113 20 0 FBADRM O=C([O-])CS[C@@H](CNC(=O)CN1CCCS1(=O)=O)C(F)(F)F ZINC000864219889 661432087 /nfs/dbraw/zinc/43/20/87/661432087.db2.gz CRFATEXAOHTAFN-ZETCQYMHSA-N -1 0 364.367 -0.113 20 0 FBADRM O=C([O-])CS[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)C(F)(F)F ZINC000864220012 661432313 /nfs/dbraw/zinc/43/23/13/661432313.db2.gz APAXCWTZOPDLIN-LURJTMIESA-N -1 0 355.294 -0.186 20 0 FBADRM O=C([O-])CS[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)C(F)(F)F ZINC000864220014 661432094 /nfs/dbraw/zinc/43/20/94/661432094.db2.gz APAXCWTZOPDLIN-ZCFIWIBFSA-N -1 0 355.294 -0.186 20 0 FBADRM Cn1c(=O)[nH]cc(C(=O)NC[C@H](SCC(=O)[O-])C(F)(F)F)c1=O ZINC000864220632 661432233 /nfs/dbraw/zinc/43/22/33/661432233.db2.gz ICJCODDROJDWIQ-LURJTMIESA-N -1 0 355.294 -0.036 20 0 FBADRM Cn1c(=O)[nH]cc(C(=O)NC[C@@H](SCC(=O)[O-])C(F)(F)F)c1=O ZINC000864220633 661432055 /nfs/dbraw/zinc/43/20/55/661432055.db2.gz ICJCODDROJDWIQ-ZCFIWIBFSA-N -1 0 355.294 -0.036 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)NC[C@@H](SCC(=O)[O-])C(F)(F)F ZINC000864221125 661432173 /nfs/dbraw/zinc/43/21/73/661432173.db2.gz JBLVMJPCWIVUHL-SSDOTTSWSA-N -1 0 359.326 -0.896 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)NC[C@H](SCC(=O)[O-])C(F)(F)F ZINC000864221127 661432296 /nfs/dbraw/zinc/43/22/96/661432296.db2.gz JBLVMJPCWIVUHL-ZETCQYMHSA-N -1 0 359.326 -0.896 20 0 FBADRM CN1CC[C@@H](C(=O)NC[C@H](SCC(=O)[O-])C(F)(F)F)S1(=O)=O ZINC000864221616 661432184 /nfs/dbraw/zinc/43/21/84/661432184.db2.gz XZVPACVGSVGUDN-BQBZGAKWSA-N -1 0 364.367 -0.115 20 0 FBADRM CN1CC[C@@H](C(=O)NC[C@@H](SCC(=O)[O-])C(F)(F)F)S1(=O)=O ZINC000864221618 661432076 /nfs/dbraw/zinc/43/20/76/661432076.db2.gz XZVPACVGSVGUDN-NKWVEPMBSA-N -1 0 364.367 -0.115 20 0 FBADRM CN1CC[C@H](C(=O)NC[C@@H](SCC(=O)[O-])C(F)(F)F)S1(=O)=O ZINC000864221619 661432264 /nfs/dbraw/zinc/43/22/64/661432264.db2.gz XZVPACVGSVGUDN-RNFRBKRXSA-N -1 0 364.367 -0.115 20 0 FBADRM CN1CC[C@H](C(=O)NC[C@H](SCC(=O)[O-])C(F)(F)F)S1(=O)=O ZINC000864221620 661432083 /nfs/dbraw/zinc/43/20/83/661432083.db2.gz XZVPACVGSVGUDN-RQJHMYQMSA-N -1 0 364.367 -0.115 20 0 FBADRM CN(CC(=O)NC[C@H](SCC(=O)[O-])C(F)(F)F)S(C)(=O)=O ZINC000864222027 661432304 /nfs/dbraw/zinc/43/23/04/661432304.db2.gz NPSJONBDKDGKHC-LURJTMIESA-N -1 0 352.356 -0.257 20 0 FBADRM CN(CC(=O)NC[C@@H](SCC(=O)[O-])C(F)(F)F)S(C)(=O)=O ZINC000864222028 661432196 /nfs/dbraw/zinc/43/21/96/661432196.db2.gz NPSJONBDKDGKHC-ZCFIWIBFSA-N -1 0 352.356 -0.257 20 0 FBADRM COCCN1C(=O)C[C@@H](N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)C1=O ZINC000864350625 661433208 /nfs/dbraw/zinc/43/32/08/661433208.db2.gz HLXFKBWTYNTHCI-NOZJJQNGSA-N -1 0 351.325 -0.097 20 0 FBADRM COCCN1C(=O)C[C@@H](N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)C1=O ZINC000864350626 661433287 /nfs/dbraw/zinc/43/32/87/661433287.db2.gz HLXFKBWTYNTHCI-RNCFNFMXSA-N -1 0 351.325 -0.097 20 0 FBADRM COCCN1C(=O)C[C@H](N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)C1=O ZINC000864350627 661433134 /nfs/dbraw/zinc/43/31/34/661433134.db2.gz HLXFKBWTYNTHCI-TVQRCGJNSA-N -1 0 351.325 -0.097 20 0 FBADRM COCCN1C(=O)C[C@H](N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)C1=O ZINC000864350628 661433179 /nfs/dbraw/zinc/43/31/79/661433179.db2.gz HLXFKBWTYNTHCI-ZANVPECISA-N -1 0 351.325 -0.097 20 0 FBADRM CN(CC(=O)[O-])S(=O)(=O)c1cnn(C)c1I ZINC000864494315 661433571 /nfs/dbraw/zinc/43/35/71/661433571.db2.gz BBPYPZJTSYCJEX-UHFFFAOYSA-N -1 0 359.145 -0.270 20 0 FBADRM O=C([N-]CC1CN(C(=O)C(F)(F)C(=O)N2CCOCC2)C1)C(F)(F)F ZINC000866185066 661442576 /nfs/dbraw/zinc/44/25/76/661442576.db2.gz XAZPZHCXBYEEPP-UHFFFAOYSA-N -1 0 373.278 -0.383 20 0 FBADRM CS(C)(=O)=NS(=O)(=O)[N-]C[C@]1(N2CCOCC2)CCSC1 ZINC000866580968 661446198 /nfs/dbraw/zinc/44/61/98/661446198.db2.gz WZIZQSOWVSWEDM-LLVKDONJSA-N -1 0 357.523 -0.244 20 0 FBADRM CS(C)(=O)=NS(=O)(=O)[N-]C[C@@]1(N2CCOCC2)CCSC1 ZINC000866580969 661446124 /nfs/dbraw/zinc/44/61/24/661446124.db2.gz WZIZQSOWVSWEDM-NSHDSACASA-N -1 0 357.523 -0.244 20 0 FBADRM CS(C)(=O)=NS(=O)(=O)[N-]CC(=O)N1CCN(c2ccccc2)CC1 ZINC000866645436 661446239 /nfs/dbraw/zinc/44/62/39/661446239.db2.gz KWJQPKGWIPUWRC-UHFFFAOYSA-N -1 0 374.488 -0.103 20 0 FBADRM CS(C)(=O)=NS(=O)(=O)[N-]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000866832170 661453329 /nfs/dbraw/zinc/45/33/29/661453329.db2.gz BAQFQABZFRXJJE-CQSZACIVSA-N -1 0 361.489 -0.032 20 0 FBADRM C[S@@](=O)(=NS(=O)(=O)[N-]C[C@@H]1CN2CCN1CC2)c1ccccc1 ZINC000866994300 660550290 /nfs/dbraw/zinc/55/02/90/660550290.db2.gz IOKFTMVBRNIADF-DMZKTXOQSA-N -1 0 358.489 -0.023 20 0 FBADRM C[S@](=O)(=NS(=O)(=O)[N-]C[C@@H]1CN2CCN1CC2)c1ccccc1 ZINC000866994301 660550232 /nfs/dbraw/zinc/55/02/32/660550232.db2.gz IOKFTMVBRNIADF-MCMMXHMISA-N -1 0 358.489 -0.023 20 0 FBADRM C[S@](=O)(=NS(=O)(=O)[N-]C[C@H]1CN2CCN1CC2)c1ccccc1 ZINC000866994302 660550247 /nfs/dbraw/zinc/55/02/47/660550247.db2.gz IOKFTMVBRNIADF-WHEQGISXSA-N -1 0 358.489 -0.023 20 0 FBADRM C[S@@](=O)(=NS(=O)(=O)[N-]C[C@H]1CN2CCN1CC2)c1ccccc1 ZINC000866994303 660550342 /nfs/dbraw/zinc/55/03/42/660550342.db2.gz IOKFTMVBRNIADF-XMHCIUCPSA-N -1 0 358.489 -0.023 20 0 FBADRM CCOC1CC(C[N-]S(=O)(=O)N=S(C)(C)=O)(N2CCOCC2)C1 ZINC000867196464 661172397 /nfs/dbraw/zinc/17/23/97/661172397.db2.gz ZNSAVESPUBNONX-UHFFFAOYSA-N -1 0 369.509 -0.182 20 0 FBADRM CS(C)(=O)=NS(=O)(=O)[N-]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000867264327 661181160 /nfs/dbraw/zinc/18/11/60/661181160.db2.gz HYXGHDCHWREHRQ-MRVPVSSYSA-N -1 0 353.388 -0.189 20 0 FBADRM CS(C)(=O)=NS(=O)(=O)[N-]C[C@H](N1CCOCC1)C(F)(F)F ZINC000867264328 661181235 /nfs/dbraw/zinc/18/12/35/661181235.db2.gz HYXGHDCHWREHRQ-QMMMGPOBSA-N -1 0 353.388 -0.189 20 0 FBADRM Cn1ncc(S(=O)(=O)NCCN2CCC(O)CC2)c1Br ZINC000867362428 661215280 /nfs/dbraw/zinc/21/52/80/661215280.db2.gz WGWDASUGNDJIAN-UHFFFAOYSA-N -1 0 367.269 -0.082 20 0 FBADRM CS(C)(=O)=NS(=O)(=O)[N-]CC1(N2CCOCC2)CCOCC1 ZINC000867384559 661229235 /nfs/dbraw/zinc/22/92/35/661229235.db2.gz DRQRDKCEWFCLJM-UHFFFAOYSA-N -1 0 355.482 -0.570 20 0 FBADRM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CC1(N2CCOCC2)CCOCC1 ZINC000867384592 661229482 /nfs/dbraw/zinc/22/94/82/661229482.db2.gz FWKGVQIHPMBGEP-JOCHJYFZSA-N -1 0 369.509 -0.180 20 0 FBADRM CC[S@](C)(=O)=NS(=O)(=O)[N-]CC1(N2CCOCC2)CCOCC1 ZINC000867384593 661229551 /nfs/dbraw/zinc/22/95/51/661229551.db2.gz FWKGVQIHPMBGEP-QFIPXVFZSA-N -1 0 369.509 -0.180 20 0 FBADRM CCN1C(=O)CO[C@H](C(=O)[N-]OC2CCOCC2)[C@H]1c1ccnn1C ZINC000867493792 661455783 /nfs/dbraw/zinc/45/57/83/661455783.db2.gz XSRGVTXIFJZXAH-CABCVRRESA-N -1 0 352.391 -0.065 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)c2nncn2C)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000867537934 661456471 /nfs/dbraw/zinc/45/64/71/661456471.db2.gz SCBZBWNBNFDNRJ-SFYZADRCSA-N -1 0 355.342 -0.107 20 0 FBADRM Cn1ncc(S(=O)(=O)[N-]N2CCCC2=O)c1I ZINC000867592531 661458822 /nfs/dbraw/zinc/45/88/22/661458822.db2.gz GHPAEVZNAGMWTA-UHFFFAOYSA-N -1 0 370.172 -0.160 20 0 FBADRM O=C(c1ccc(S(=O)(=O)[N-]N2CCCC2=O)cc1)N1CCOCC1 ZINC000867595033 661458928 /nfs/dbraw/zinc/45/89/28/661458928.db2.gz WHSSLWVPJGLPAR-UHFFFAOYSA-N -1 0 353.400 -0.025 20 0 FBADRM CCN1C(=O)CO[C@H](C(=O)[N-]OC[C@@H]2CCOC2)[C@H]1c1ccnn1C ZINC000867711703 661461447 /nfs/dbraw/zinc/46/14/47/661461447.db2.gz UAHUDOHTDPFWNR-DFBGVHRSSA-N -1 0 352.391 -0.207 20 0 FBADRM CCN1C(=O)CO[C@H](C(=O)[N-]OC[C@H]2CCOC2)[C@H]1c1ccnn1C ZINC000867711704 661461435 /nfs/dbraw/zinc/46/14/35/661461435.db2.gz UAHUDOHTDPFWNR-GLQYFDAESA-N -1 0 352.391 -0.207 20 0 FBADRM O=C1COC[C@]2(C[N-]S(=O)(=O)c3c(F)cccc3F)COCCN12 ZINC000867792595 661464538 /nfs/dbraw/zinc/46/45/38/661464538.db2.gz ZNASTEAHVCQSLL-AWEZNQCLSA-N -1 0 362.354 -0.129 20 0 FBADRM O=C1COC[C@@]2(C[N-]S(=O)(=O)c3c(F)cccc3F)COCCN12 ZINC000867792596 661464642 /nfs/dbraw/zinc/46/46/42/661464642.db2.gz ZNASTEAHVCQSLL-CQSZACIVSA-N -1 0 362.354 -0.129 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000867890269 661466033 /nfs/dbraw/zinc/46/60/33/661466033.db2.gz MNEBIDHWTUXZDD-GZMMTYOYSA-N -1 0 359.370 -0.064 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000867890271 661466168 /nfs/dbraw/zinc/46/61/68/661466168.db2.gz MNEBIDHWTUXZDD-KCJUWKMLSA-N -1 0 359.370 -0.064 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000867890272 661466075 /nfs/dbraw/zinc/46/60/75/661466075.db2.gz MNEBIDHWTUXZDD-KWQFWETISA-N -1 0 359.370 -0.064 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000867890274 661465952 /nfs/dbraw/zinc/46/59/52/661465952.db2.gz MNEBIDHWTUXZDD-LDYMZIIASA-N -1 0 359.370 -0.064 20 0 FBADRM CN1CCO[C@H](CS(=O)(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)C1 ZINC000867891072 661466179 /nfs/dbraw/zinc/46/61/79/661466179.db2.gz TYBFQROHBIDIFB-CMPLNLGQSA-N -1 0 373.397 -0.210 20 0 FBADRM CN1CCO[C@H](CS(=O)(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)C1 ZINC000867891073 661466016 /nfs/dbraw/zinc/46/60/16/661466016.db2.gz TYBFQROHBIDIFB-JQWIXIFHSA-N -1 0 373.397 -0.210 20 0 FBADRM CN1CCO[C@@H](CS(=O)(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)C1 ZINC000867891074 661466051 /nfs/dbraw/zinc/46/60/51/661466051.db2.gz TYBFQROHBIDIFB-PWSUYJOCSA-N -1 0 373.397 -0.210 20 0 FBADRM CN1CCO[C@@H](CS(=O)(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)C1 ZINC000867891075 661466174 /nfs/dbraw/zinc/46/61/74/661466174.db2.gz TYBFQROHBIDIFB-ZYHUDNBSSA-N -1 0 373.397 -0.210 20 0 FBADRM O=C([N-]CC1CN(S(=O)(=O)c2cnn3c2OCCC3)C1)C(F)(F)F ZINC000867900659 661466397 /nfs/dbraw/zinc/46/63/97/661466397.db2.gz YEEPHIVDFAPDNV-UHFFFAOYSA-N -1 0 368.337 -0.035 20 0 FBADRM COCn1nccc1S(=O)(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000867902074 661466493 /nfs/dbraw/zinc/46/64/93/661466493.db2.gz AIQSGJQZMVJLDO-UHFFFAOYSA-N -1 0 356.326 -0.214 20 0 FBADRM COCCn1cc(S(=O)(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000867903003 661466507 /nfs/dbraw/zinc/46/65/07/661466507.db2.gz ZBJVTAWMDOQUFJ-UHFFFAOYSA-N -1 0 370.353 -0.172 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCCN2C(=O)CCC2=O)C1 ZINC000868252103 661468772 /nfs/dbraw/zinc/46/87/72/661468772.db2.gz DDHPBGFVWJBBFK-CYBMUJFWSA-N -1 0 364.324 -0.012 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCCN2C(=O)CCC2=O)C1 ZINC000868252104 661468817 /nfs/dbraw/zinc/46/88/17/661468817.db2.gz DDHPBGFVWJBBFK-ZDUSSCGKSA-N -1 0 364.324 -0.012 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000868331047 661469374 /nfs/dbraw/zinc/46/93/74/661469374.db2.gz RGUSQNYHVLKRRD-KGLIPLIRSA-N -1 0 353.419 -0.367 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000868331048 661469644 /nfs/dbraw/zinc/46/96/44/661469644.db2.gz RGUSQNYHVLKRRD-ZIAGYGMSSA-N -1 0 353.419 -0.367 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCCN(C(=O)C3CC3)CC2)C1 ZINC000868331766 661469653 /nfs/dbraw/zinc/46/96/53/661469653.db2.gz PHYGJIRZZGMSSU-CYBMUJFWSA-N -1 0 351.403 -0.220 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3=O)C2)C1 ZINC000868333305 661469715 /nfs/dbraw/zinc/46/97/15/661469715.db2.gz BXVDWVPRKIHEIO-CHWSQXEVSA-N -1 0 351.403 -0.077 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3=O)C2)C1 ZINC000868333306 661469750 /nfs/dbraw/zinc/46/97/50/661469750.db2.gz BXVDWVPRKIHEIO-OLZOCXBDSA-N -1 0 351.403 -0.077 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@H](C(F)F)C2)C1 ZINC000868334181 661469749 /nfs/dbraw/zinc/46/97/49/661469749.db2.gz TUYWZRFZXLHDGL-LKFCYVNXSA-N -1 0 350.318 -0.571 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@@H](C(F)F)C2)C1 ZINC000868334182 661469723 /nfs/dbraw/zinc/46/97/23/661469723.db2.gz TUYWZRFZXLHDGL-OTYXRUKQSA-N -1 0 350.318 -0.571 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@H](C(F)F)C2)C1 ZINC000868334183 661469502 /nfs/dbraw/zinc/46/95/02/661469502.db2.gz TUYWZRFZXLHDGL-XPTSAGLGSA-N -1 0 350.318 -0.571 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCO[C@@H](C(F)F)C2)C1 ZINC000868334184 661469596 /nfs/dbraw/zinc/46/95/96/661469596.db2.gz TUYWZRFZXLHDGL-YMTOWFKASA-N -1 0 350.318 -0.571 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCC(N3CCCC3=O)CC2)C1 ZINC000868334603 661469684 /nfs/dbraw/zinc/46/96/84/661469684.db2.gz PEQZPOKYNHEZJE-GFCCVEGCSA-N -1 0 351.403 -0.077 20 0 FBADRM CC(C)OCCN1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000868335655 661469694 /nfs/dbraw/zinc/46/96/94/661469694.db2.gz IIQFIOIHQGCZCV-CQSZACIVSA-N -1 0 355.435 -0.121 20 0 FBADRM C[C@@H]1CN(CCN(C)C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000868336240 661469742 /nfs/dbraw/zinc/46/97/42/661469742.db2.gz USQDJZFWQOZDTO-HZSPNIEDSA-N -1 0 355.435 -0.123 20 0 FBADRM CN1CCC2(CCN(C(=O)C(=O)N3CCC[C@@H](C(=O)[O-])C3)CC2)C1=O ZINC000868336761 661469625 /nfs/dbraw/zinc/46/96/25/661469625.db2.gz GLLZFGRRARBYMV-GFCCVEGCSA-N -1 0 351.403 -0.220 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCOCC3(CCOCC3)C2)C1 ZINC000868339293 661469673 /nfs/dbraw/zinc/46/96/73/661469673.db2.gz UKQAFAVKDFNZHO-CYBMUJFWSA-N -1 0 354.403 -0.035 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@@H]3CSC[C@@H]3C1)C2 ZINC000868344004 661469559 /nfs/dbraw/zinc/46/95/59/661469559.db2.gz MYNIBWDMELEJQN-AZKPJATDSA-N -1 0 354.428 -0.243 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@@H]3CSC[C@H]3C1)C2 ZINC000868344005 661469703 /nfs/dbraw/zinc/46/97/03/661469703.db2.gz MYNIBWDMELEJQN-DSZLRUIBSA-N -1 0 354.428 -0.243 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@H]3CSC[C@@H]3C1)C2 ZINC000868344006 661469747 /nfs/dbraw/zinc/46/97/47/661469747.db2.gz MYNIBWDMELEJQN-PVTKRXDGSA-N -1 0 354.428 -0.243 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@H]3CSC[C@H]3C1)C2 ZINC000868344007 661469656 /nfs/dbraw/zinc/46/96/56/661469656.db2.gz MYNIBWDMELEJQN-XSUJLISDSA-N -1 0 354.428 -0.243 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000868347193 661469955 /nfs/dbraw/zinc/46/99/55/661469955.db2.gz CRTLHQVYVBHCOX-CHWSQXEVSA-N -1 0 351.403 -0.220 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)N3CCCC3)C2)C1 ZINC000868347194 661469924 /nfs/dbraw/zinc/46/99/24/661469924.db2.gz CRTLHQVYVBHCOX-QWHCGFSZSA-N -1 0 351.403 -0.220 20 0 FBADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)CN3CSCC3=O)C2)cn1 ZINC000868453398 661473472 /nfs/dbraw/zinc/47/34/72/661473472.db2.gz QUGCQCRGRBRAMW-GHMZBOCLSA-N -1 0 352.416 -0.030 20 0 FBADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)CN3CSCC3=O)C2)cn1 ZINC000868453399 661473328 /nfs/dbraw/zinc/47/33/28/661473328.db2.gz QUGCQCRGRBRAMW-MNOVXSKESA-N -1 0 352.416 -0.030 20 0 FBADRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)CN3CSCC3=O)C2)cn1 ZINC000868453400 661473485 /nfs/dbraw/zinc/47/34/85/661473485.db2.gz QUGCQCRGRBRAMW-QWRGUYRKSA-N -1 0 352.416 -0.030 20 0 FBADRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)CN3CSCC3=O)C2)cn1 ZINC000868453401 661473854 /nfs/dbraw/zinc/47/38/54/661473854.db2.gz QUGCQCRGRBRAMW-WDEREUQCSA-N -1 0 352.416 -0.030 20 0 FBADRM CN(C)S(=O)(=O)CCNC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000868631734 661474683 /nfs/dbraw/zinc/47/46/83/661474683.db2.gz MZXRGSVKORITLF-LLVKDONJSA-N -1 0 374.385 -0.270 20 0 FBADRM CN(C)S(=O)(=O)CCNC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000868631735 661474789 /nfs/dbraw/zinc/47/47/89/661474789.db2.gz MZXRGSVKORITLF-NSHDSACASA-N -1 0 374.385 -0.270 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1cc(I)nn1C ZINC000869148905 661478657 /nfs/dbraw/zinc/47/86/57/661478657.db2.gz NAMWBEZNBMZYCE-UHFFFAOYSA-N -1 0 352.132 -0.178 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1)[C@H]1CCC(=O)O1 ZINC000870182064 661484066 /nfs/dbraw/zinc/48/40/66/661484066.db2.gz OCPGGVKKQFLYPT-CQSZACIVSA-N -1 0 367.427 -0.129 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1nn(C)cc1I ZINC000870199430 661484222 /nfs/dbraw/zinc/48/42/22/661484222.db2.gz LJUCYVOYHIYZOS-UHFFFAOYSA-N -1 0 373.172 -0.269 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1cc(I)nn1C ZINC000870199757 661484243 /nfs/dbraw/zinc/48/42/43/661484243.db2.gz PIYHLFRIJMQTCE-UHFFFAOYSA-N -1 0 373.172 -0.269 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)Cn1ccc(Br)cc1=O ZINC000870200330 661484110 /nfs/dbraw/zinc/48/41/10/661484110.db2.gz UXXPUQIVPUCMOZ-UHFFFAOYSA-N -1 0 353.194 -0.297 20 0 FBADRM O=C(Cn1ccc(Br)cc1=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000870203453 661484293 /nfs/dbraw/zinc/48/42/93/661484293.db2.gz GYVZTEBGYHLAED-SECBINFHSA-N -1 0 365.205 -0.154 20 0 FBADRM O=C(Cn1ccc(Br)cc1=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000870203454 661484264 /nfs/dbraw/zinc/48/42/64/661484264.db2.gz GYVZTEBGYHLAED-VIFPVBQESA-N -1 0 365.205 -0.154 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1nn(C)cc1I ZINC000870213768 661484395 /nfs/dbraw/zinc/48/43/95/661484395.db2.gz BXLNCTIRCCRAHR-UHFFFAOYSA-N -1 0 372.188 -0.049 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cc(I)nn1C ZINC000870213973 661484430 /nfs/dbraw/zinc/48/44/30/661484430.db2.gz FKOCAGOHABOMIS-UHFFFAOYSA-N -1 0 372.188 -0.049 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)Cn1ccc(Br)cc1=O ZINC000870214570 661484581 /nfs/dbraw/zinc/48/45/81/661484581.db2.gz PYOOKLLZJSPJPD-UHFFFAOYSA-N -1 0 352.210 -0.077 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000870236598 661484570 /nfs/dbraw/zinc/48/45/70/661484570.db2.gz NATBXWDNMBXRRS-SFYZADRCSA-N -1 0 350.315 -0.728 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)[C@H]1OCCO[C@H]1C(F)(F)F ZINC000870305282 661484820 /nfs/dbraw/zinc/48/48/20/661484820.db2.gz MBXYVUYVNKTZLN-VHSXEESVSA-N -1 0 369.321 -0.020 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000870358505 661484910 /nfs/dbraw/zinc/48/49/10/661484910.db2.gz ACMCDDAWRHTHLX-BDAKNGLRSA-N -1 0 357.310 -0.120 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)cnn1C ZINC000870382864 661484956 /nfs/dbraw/zinc/48/49/56/661484956.db2.gz JOYDPCAOXHHHRK-BDAKNGLRSA-N -1 0 357.310 -0.120 20 0 FBADRM CCOC1CC2(C[C@@H]2C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)C1 ZINC000870383158 661484969 /nfs/dbraw/zinc/48/49/69/661484969.db2.gz LFBGPEUWVATPPJ-JVWICGRDSA-N -1 0 359.448 -0.283 20 0 FBADRM CCOC1CC2(C[C@H]2C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)C1 ZINC000870383159 661485210 /nfs/dbraw/zinc/48/52/10/661485210.db2.gz LFBGPEUWVATPPJ-OWYJLGKBSA-N -1 0 359.448 -0.283 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC000870383273 661485194 /nfs/dbraw/zinc/48/51/94/661485194.db2.gz PDJUWSBEFFCBQY-UONOGXRCSA-N -1 0 359.448 -0.426 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C[C@@H]2Cc3ccccc3O2)CC1 ZINC000870383386 661485216 /nfs/dbraw/zinc/48/52/16/661485216.db2.gz SPXMSAVKRINOJU-AWEZNQCLSA-N -1 0 367.427 -0.095 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C[C@H]2Cc3ccccc3O2)CC1 ZINC000870383387 661485174 /nfs/dbraw/zinc/48/51/74/661485174.db2.gz SPXMSAVKRINOJU-CQSZACIVSA-N -1 0 367.427 -0.095 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000870384207 661485188 /nfs/dbraw/zinc/48/51/88/661485188.db2.gz XLBAIDCFNMPCMF-SFYZADRCSA-N -1 0 357.310 -0.120 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)cn1C ZINC000870428654 661485201 /nfs/dbraw/zinc/48/52/01/661485201.db2.gz JIJXLOXKETXXLE-BDAKNGLRSA-N -1 0 357.310 -0.120 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)cn1 ZINC000870460200 661485203 /nfs/dbraw/zinc/48/52/03/661485203.db2.gz PRRXHHCBPRYTFW-BDAKNGLRSA-N -1 0 357.310 -0.288 20 0 FBADRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccccc1CN(C)C ZINC000870643884 661485918 /nfs/dbraw/zinc/48/59/18/661485918.db2.gz VFHQJDJCBFFRHQ-UHFFFAOYSA-N -1 0 357.432 -0.342 20 0 FBADRM CN(C)Cc1ccccc1S(=O)(=O)[N-]C(=O)CN1CCOCC1=O ZINC000870644518 661485893 /nfs/dbraw/zinc/48/58/93/661485893.db2.gz LEVCHSKLTVTSMB-UHFFFAOYSA-N -1 0 355.416 -0.588 20 0 FBADRM CNC(=O)NC[C@H]1COCCN1C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000871221417 661488400 /nfs/dbraw/zinc/48/84/00/661488400.db2.gz ZRJXELHSALMEGN-UWVGGRQHSA-N -1 0 368.356 -0.154 20 0 FBADRM CNC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000871221421 661488425 /nfs/dbraw/zinc/48/84/25/661488425.db2.gz ZRJXELHSALMEGN-ZJUUUORDSA-N -1 0 368.356 -0.154 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC000871408459 661489348 /nfs/dbraw/zinc/48/93/48/661489348.db2.gz VQSHIOWWTFBGGK-GFCCVEGCSA-N -1 0 353.297 -0.219 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@]12COC(=O)N1CCOC2 ZINC000871408460 661489407 /nfs/dbraw/zinc/48/94/07/661489407.db2.gz VQSHIOWWTFBGGK-LBPRGKRZSA-N -1 0 353.297 -0.219 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1 ZINC000871531268 661490343 /nfs/dbraw/zinc/49/03/43/661490343.db2.gz BRONWAZJKICTGK-RSPPDBIESA-N -1 0 350.396 -0.124 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1 ZINC000871531269 661490415 /nfs/dbraw/zinc/49/04/15/661490415.db2.gz BRONWAZJKICTGK-TXNHMLTKSA-N -1 0 350.396 -0.124 20 0 FBADRM Cc1cc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)ccc1OCC(=O)[O-] ZINC000871923426 661491359 /nfs/dbraw/zinc/49/13/59/661491359.db2.gz RTDSBTVXLDVZCF-CYBMUJFWSA-N -1 0 369.443 -0.263 20 0 FBADRM Cc1cc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)ccc1OCC(=O)[O-] ZINC000871923427 661491181 /nfs/dbraw/zinc/49/11/81/661491181.db2.gz RTDSBTVXLDVZCF-ZDUSSCGKSA-N -1 0 369.443 -0.263 20 0 FBADRM O=C([O-])CS[C@H](CNS(=O)(=O)N1CCOCC1)C(F)(F)F ZINC000872001063 661491451 /nfs/dbraw/zinc/49/14/51/661491451.db2.gz SLALBCKKBALBMN-SSDOTTSWSA-N -1 0 352.356 -0.098 20 0 FBADRM O=C([O-])CS[C@@H](CNS(=O)(=O)N1CCOCC1)C(F)(F)F ZINC000872001064 661491424 /nfs/dbraw/zinc/49/14/24/661491424.db2.gz SLALBCKKBALBMN-ZETCQYMHSA-N -1 0 352.356 -0.098 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C(F)(F)F)CC2)CCO1 ZINC000872184808 661491651 /nfs/dbraw/zinc/49/16/51/661491651.db2.gz BODDZFDULTWRMI-BDAKNGLRSA-N -1 0 354.281 -0.522 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(F)(F)F)CC2)CCO1 ZINC000872184809 661491746 /nfs/dbraw/zinc/49/17/46/661491746.db2.gz BODDZFDULTWRMI-DTWKUNHWSA-N -1 0 354.281 -0.522 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(F)(F)F)CC2)CCO1 ZINC000872184810 661491734 /nfs/dbraw/zinc/49/17/34/661491734.db2.gz BODDZFDULTWRMI-IUCAKERBSA-N -1 0 354.281 -0.522 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(F)(F)F)CC2)CCO1 ZINC000872184811 661491673 /nfs/dbraw/zinc/49/16/73/661491673.db2.gz BODDZFDULTWRMI-RKDXNWHRSA-N -1 0 354.281 -0.522 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC[C@@H](C(F)(F)F)O1 ZINC000872186634 661491738 /nfs/dbraw/zinc/49/17/38/661491738.db2.gz XXKQJOHZCFWSSM-BBBLOLIVSA-N -1 0 368.308 -0.133 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC[C@H](C(F)(F)F)O1 ZINC000872186635 661491669 /nfs/dbraw/zinc/49/16/69/661491669.db2.gz XXKQJOHZCFWSSM-KXUCPTDWSA-N -1 0 368.308 -0.133 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC[C@H](C(F)(F)F)O1 ZINC000872186636 661491616 /nfs/dbraw/zinc/49/16/16/661491616.db2.gz XXKQJOHZCFWSSM-OPRDCNLKSA-N -1 0 368.308 -0.133 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC[C@@H](C(F)(F)F)O1 ZINC000872186637 661491702 /nfs/dbraw/zinc/49/17/02/661491702.db2.gz XXKQJOHZCFWSSM-UTLUCORTSA-N -1 0 368.308 -0.133 20 0 FBADRM COCCOCCOCCS(=O)(=O)[N-]c1cc2n(n1)CCN(C)C2 ZINC000872409780 661495101 /nfs/dbraw/zinc/49/51/01/661495101.db2.gz AJCFEWLHSKGOJA-UHFFFAOYSA-N -1 0 362.452 -0.250 20 0 FBADRM Cn1ncc2c1nnn(CN1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)c2=O ZINC000872752845 661498424 /nfs/dbraw/zinc/49/84/24/661498424.db2.gz GXUTZTPNSUEGST-GFCCVEGCSA-N -1 0 359.312 -0.375 20 0 FBADRM Cn1ncc2c1nnn(CN1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)c2=O ZINC000872752846 661498493 /nfs/dbraw/zinc/49/84/93/661498493.db2.gz GXUTZTPNSUEGST-LBPRGKRZSA-N -1 0 359.312 -0.375 20 0 FBADRM CC(C)(SCC(=O)[O-])C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000872905993 661501398 /nfs/dbraw/zinc/50/13/98/661501398.db2.gz DOYYEWMBLPQYMR-UHFFFAOYSA-N -1 0 371.459 -0.124 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)C(C)(C)SCC(=O)[O-])CC1 ZINC000872984961 661503055 /nfs/dbraw/zinc/50/30/55/661503055.db2.gz WMROGDYDYRVCRN-UHFFFAOYSA-N -1 0 353.466 -0.467 20 0 FBADRM CN(C)S(=O)(=O)N1CCCN(C(=O)C(C)(C)SCC(=O)[O-])CC1 ZINC000872993428 661503141 /nfs/dbraw/zinc/50/31/41/661503141.db2.gz JEKAHGVZVRZNHH-UHFFFAOYSA-N -1 0 367.493 -0.077 20 0 FBADRM CCn1ncc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c1Br ZINC000873507407 661504534 /nfs/dbraw/zinc/50/45/34/661504534.db2.gz MAOGPDZZWSMTCU-UHFFFAOYSA-N -1 0 367.225 -0.028 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)Cc2ccc(Cl)cn2)CC1 ZINC000873532240 661504803 /nfs/dbraw/zinc/50/48/03/661504803.db2.gz FPJYBXIGWRCBRG-UHFFFAOYSA-N -1 0 360.823 -0.197 20 0 FBADRM Cn1cc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(Br)n1 ZINC000873642026 661505066 /nfs/dbraw/zinc/50/50/66/661505066.db2.gz KVDGOWNFEBKVDS-MRVPVSSYSA-N -1 0 352.210 -0.134 20 0 FBADRM Cn1cc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(Br)n1 ZINC000873642027 661505158 /nfs/dbraw/zinc/50/51/58/661505158.db2.gz KVDGOWNFEBKVDS-QMMMGPOBSA-N -1 0 352.210 -0.134 20 0 FBADRM O=Cc1cccc(OCCC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC000874964646 661511442 /nfs/dbraw/zinc/51/14/42/661511442.db2.gz AEUIJWVBNPXOOF-CYBMUJFWSA-N -1 0 355.368 -0.022 20 0 FBADRM O=Cc1cccc(OCCC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC000874964647 661511495 /nfs/dbraw/zinc/51/14/95/661511495.db2.gz AEUIJWVBNPXOOF-ZDUSSCGKSA-N -1 0 355.368 -0.022 20 0 FBADRM O=Cc1ccc(OCCC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1 ZINC000874964723 661511506 /nfs/dbraw/zinc/51/15/06/661511506.db2.gz CEHVBMGOALJKAB-CYBMUJFWSA-N -1 0 355.368 -0.022 20 0 FBADRM O=Cc1ccc(OCCC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1 ZINC000874964724 661511501 /nfs/dbraw/zinc/51/15/01/661511501.db2.gz CEHVBMGOALJKAB-ZDUSSCGKSA-N -1 0 355.368 -0.022 20 0 FBADRM C[C@H](Oc1ccc(C=O)cc1)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000874965527 661511550 /nfs/dbraw/zinc/51/15/50/661511550.db2.gz MYIPNTKQHNCVOR-GWCFXTLKSA-N -1 0 355.368 -0.023 20 0 FBADRM C[C@H](Oc1ccc(C=O)cc1)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000874965528 661511381 /nfs/dbraw/zinc/51/13/81/661511381.db2.gz MYIPNTKQHNCVOR-GXFFZTMASA-N -1 0 355.368 -0.023 20 0 FBADRM C[C@@H](Oc1ccc(C=O)cc1)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000874965530 661511448 /nfs/dbraw/zinc/51/14/48/661511448.db2.gz MYIPNTKQHNCVOR-MFKMUULPSA-N -1 0 355.368 -0.023 20 0 FBADRM C[C@@H](Oc1ccc(C=O)cc1)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000874965531 661511359 /nfs/dbraw/zinc/51/13/59/661511359.db2.gz MYIPNTKQHNCVOR-ZWNOBZJWSA-N -1 0 355.368 -0.023 20 0 FBADRM COc1ccc(C=O)c(OCC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC000874965636 661511421 /nfs/dbraw/zinc/51/14/21/661511421.db2.gz PFJPMYDROYBFOZ-GFCCVEGCSA-N -1 0 371.367 -0.403 20 0 FBADRM COc1ccc(C=O)c(OCC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC000874965638 661511377 /nfs/dbraw/zinc/51/13/77/661511377.db2.gz PFJPMYDROYBFOZ-LBPRGKRZSA-N -1 0 371.367 -0.403 20 0 FBADRM COc1cc(C=O)ccc1OCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000874965669 661511320 /nfs/dbraw/zinc/51/13/20/661511320.db2.gz PPPLFQHEAXEFTN-LLVKDONJSA-N -1 0 371.367 -0.403 20 0 FBADRM COc1cc(C=O)ccc1OCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000874965670 661511347 /nfs/dbraw/zinc/51/13/47/661511347.db2.gz PPPLFQHEAXEFTN-NSHDSACASA-N -1 0 371.367 -0.403 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000875575191 661522790 /nfs/dbraw/zinc/52/27/90/661522790.db2.gz MRVOJDGDLWQINU-AWEZNQCLSA-N -1 0 368.459 -0.191 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000875575192 661522869 /nfs/dbraw/zinc/52/28/69/661522869.db2.gz MRVOJDGDLWQINU-CQSZACIVSA-N -1 0 368.459 -0.191 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCc1ccnc(N2CCSCC2)c1 ZINC000875683518 661524991 /nfs/dbraw/zinc/52/49/91/661524991.db2.gz TVKRNKCGAZZNRJ-UHFFFAOYSA-N -1 0 354.432 -0.055 20 0 FBADRM Cn1cc(I)c(C(=O)[N-]N2CC(=O)N(C)C2=O)n1 ZINC000879360720 661550394 /nfs/dbraw/zinc/55/03/94/661550394.db2.gz YMIAJBGNZLVUQH-UHFFFAOYSA-N -1 0 363.115 -0.437 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(CC(=O)NCC(=O)N2CCCC2)C1 ZINC000879763753 661552948 /nfs/dbraw/zinc/55/29/48/661552948.db2.gz HFXOBTNMDYSBIN-AWEZNQCLSA-N -1 0 364.368 -0.132 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(CC(=O)NCC(=O)N2CCCC2)C1 ZINC000879763754 661553041 /nfs/dbraw/zinc/55/30/41/661553041.db2.gz HFXOBTNMDYSBIN-CQSZACIVSA-N -1 0 364.368 -0.132 20 0 FBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879764716 661553077 /nfs/dbraw/zinc/55/30/77/661553077.db2.gz ZKNKVHFNODQZID-NOZJJQNGSA-N -1 0 368.356 -0.010 20 0 FBADRM COC[C@@H](C)NC(=O)NC(=O)CN1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879764717 661553162 /nfs/dbraw/zinc/55/31/62/661553162.db2.gz ZKNKVHFNODQZID-RNCFNFMXSA-N -1 0 368.356 -0.010 20 0 FBADRM COC[C@H](C)NC(=O)NC(=O)CN1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879764718 661553047 /nfs/dbraw/zinc/55/30/47/661553047.db2.gz ZKNKVHFNODQZID-TVQRCGJNSA-N -1 0 368.356 -0.010 20 0 FBADRM COC[C@H](C)NC(=O)NC(=O)CN1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879764719 661553107 /nfs/dbraw/zinc/55/31/07/661553107.db2.gz ZKNKVHFNODQZID-ZANVPECISA-N -1 0 368.356 -0.010 20 0 FBADRM CCn1ncn([N-]C(=O)c2nn(C)cc2I)c1=O ZINC000880101812 661555460 /nfs/dbraw/zinc/55/54/60/661555460.db2.gz NWPKFBOGQUAACH-UHFFFAOYSA-N -1 0 362.131 -0.213 20 0 FBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1cnn(C)c1I ZINC000880392473 661557674 /nfs/dbraw/zinc/55/76/74/661557674.db2.gz AEXCWWVYFORGDV-UHFFFAOYSA-N -1 0 363.115 -0.027 20 0 FBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1cc(I)nn1C ZINC000880392590 661557682 /nfs/dbraw/zinc/55/76/82/661557682.db2.gz DTUWXEBTCCFSJP-UHFFFAOYSA-N -1 0 363.115 -0.027 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1nn(C)cc1I ZINC000880542723 661558464 /nfs/dbraw/zinc/55/84/64/661558464.db2.gz NGJXEDKARPVIKX-UHFFFAOYSA-N -1 0 352.132 -0.178 20 0 FBADRM O=C([N-]Cc1cn(CCn2nc3ccccn3c2=O)nn1)C(F)(F)F ZINC000881216905 661560892 /nfs/dbraw/zinc/56/08/92/661560892.db2.gz YPIXTDYDGOQNEE-UHFFFAOYSA-N -1 0 355.280 -0.034 20 0 FBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]CC(=O)N1CCc2ccccc21 ZINC000881855000 661563503 /nfs/dbraw/zinc/56/35/03/661563503.db2.gz NYMVQQMVTPLPPX-JOCHJYFZSA-N -1 0 360.461 -0.016 20 0 FBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CC(=O)N1CCc2ccccc21 ZINC000881855002 661563631 /nfs/dbraw/zinc/56/36/31/661563631.db2.gz NYMVQQMVTPLPPX-QFIPXVFZSA-N -1 0 360.461 -0.016 20 0 FBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CN(c2ccc(F)cc2)C1=O ZINC000882053764 661567196 /nfs/dbraw/zinc/56/71/96/661567196.db2.gz DSXFASAVJMZTLJ-KPWVOAKYSA-N -1 0 364.424 -0.050 20 0 FBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CN(c2ccc(F)cc2)C1=O ZINC000882053767 661567167 /nfs/dbraw/zinc/56/71/67/661567167.db2.gz DSXFASAVJMZTLJ-RKFFSXRUSA-N -1 0 364.424 -0.050 20 0 FBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1CN(c2ccc(F)cc2)C1=O ZINC000882053768 661567134 /nfs/dbraw/zinc/56/71/34/661567134.db2.gz DSXFASAVJMZTLJ-SAHAZLINSA-N -1 0 364.424 -0.050 20 0 FBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CN(c2ccc(F)cc2)C1=O ZINC000882053770 661567187 /nfs/dbraw/zinc/56/71/87/661567187.db2.gz DSXFASAVJMZTLJ-XFNZEKPQSA-N -1 0 364.424 -0.050 20 0 FBADRM CNS(=O)(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1 ZINC000882238619 661569307 /nfs/dbraw/zinc/56/93/07/661569307.db2.gz VMDTYZCNGMTZLW-ZJUUUORDSA-N -1 0 359.370 -0.001 20 0 FBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1Cc2ccccc2N(C)C1=O ZINC000882387599 661570543 /nfs/dbraw/zinc/57/05/43/661570543.db2.gz IXRGXNWNJLVRDX-KPWVOAKYSA-N -1 0 360.461 -0.017 20 0 FBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1Cc2ccccc2N(C)C1=O ZINC000882387600 661570744 /nfs/dbraw/zinc/57/07/44/661570744.db2.gz IXRGXNWNJLVRDX-RKFFSXRUSA-N -1 0 360.461 -0.017 20 0 FBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1Cc2ccccc2N(C)C1=O ZINC000882387602 661570833 /nfs/dbraw/zinc/57/08/33/661570833.db2.gz IXRGXNWNJLVRDX-SAHAZLINSA-N -1 0 360.461 -0.017 20 0 FBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1Cc2ccccc2N(C)C1=O ZINC000882387603 661570717 /nfs/dbraw/zinc/57/07/17/661570717.db2.gz IXRGXNWNJLVRDX-XFNZEKPQSA-N -1 0 360.461 -0.017 20 0 FBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)N1CC(CNC(=O)C(F)(F)F)C1 ZINC000882505056 661571995 /nfs/dbraw/zinc/57/19/95/661571995.db2.gz HYCOISRROPYKBC-NRFANRHFSA-N -1 0 366.387 -0.584 20 0 FBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)N1CC(CNC(=O)C(F)(F)F)C1 ZINC000882505057 661571899 /nfs/dbraw/zinc/57/18/99/661571899.db2.gz HYCOISRROPYKBC-OAQYLSRUSA-N -1 0 366.387 -0.584 20 0 FBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@H](O)C(F)(F)C(F)(F)F ZINC000882781968 661574559 /nfs/dbraw/zinc/57/45/59/661574559.db2.gz DJEYKRALCHRXKX-CKOOQGNFSA-N -1 0 363.330 -0.046 20 0 FBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000882781969 661574399 /nfs/dbraw/zinc/57/43/99/661574399.db2.gz DJEYKRALCHRXKX-IXMBBWDASA-N -1 0 363.330 -0.046 20 0 FBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H](O)C(F)(F)C(F)(F)F ZINC000882781970 661574451 /nfs/dbraw/zinc/57/44/51/661574451.db2.gz DJEYKRALCHRXKX-NBFADEGPSA-N -1 0 363.330 -0.046 20 0 FBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000882781971 661574553 /nfs/dbraw/zinc/57/45/53/661574553.db2.gz DJEYKRALCHRXKX-NQACDNSBSA-N -1 0 363.330 -0.046 20 0 FBADRM CC(=O)N1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](CC(=O)[O-])C3)C[C@@H]2C1 ZINC000883635252 661578295 /nfs/dbraw/zinc/57/82/95/661578295.db2.gz NUMWSNJESVMISK-MCIONIFRSA-N -1 0 351.403 -0.364 20 0 FBADRM CC(=O)N1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](CC(=O)[O-])C3)C[C@@H]2C1 ZINC000883635253 661578246 /nfs/dbraw/zinc/57/82/46/661578246.db2.gz NUMWSNJESVMISK-MELADBBJSA-N -1 0 351.403 -0.364 20 0 FBADRM CO[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000883635653 661578366 /nfs/dbraw/zinc/57/83/66/661578366.db2.gz XGCMIFUGDKTTOE-PELKAZGASA-N -1 0 354.281 -0.522 20 0 FBADRM CO[C@]1(C(F)(F)F)CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000883635654 661578619 /nfs/dbraw/zinc/57/86/19/661578619.db2.gz XGCMIFUGDKTTOE-PRHODGIISA-N -1 0 354.281 -0.522 20 0 FBADRM CO[C@]1(C(F)(F)F)CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000883635655 661578668 /nfs/dbraw/zinc/57/86/68/661578668.db2.gz XGCMIFUGDKTTOE-QPUJVOFHSA-N -1 0 354.281 -0.522 20 0 FBADRM CO[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000883635656 661578631 /nfs/dbraw/zinc/57/86/31/661578631.db2.gz XGCMIFUGDKTTOE-UFBFGSQYSA-N -1 0 354.281 -0.522 20 0 FBADRM CC(=O)N1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C)[C@@H](C(=O)[O-])C3)C[C@@H]2C1 ZINC000883636097 661578578 /nfs/dbraw/zinc/57/85/78/661578578.db2.gz JPEVBNINZKDIEA-DEQVHRJGSA-N -1 0 351.403 -0.508 20 0 FBADRM CC(=O)N1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C)[C@H](C(=O)[O-])C3)C[C@@H]2C1 ZINC000883636098 661578633 /nfs/dbraw/zinc/57/86/33/661578633.db2.gz JPEVBNINZKDIEA-RUZUBIRVSA-N -1 0 351.403 -0.508 20 0 FBADRM CC(=O)N1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C)[C@H](C(=O)[O-])C3)C[C@@H]2C1 ZINC000883636099 661578574 /nfs/dbraw/zinc/57/85/74/661578574.db2.gz JPEVBNINZKDIEA-SCUASFONSA-N -1 0 351.403 -0.508 20 0 FBADRM CC(=O)N1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C)[C@@H](C(=O)[O-])C3)C[C@@H]2C1 ZINC000883636100 661578541 /nfs/dbraw/zinc/57/85/41/661578541.db2.gz JPEVBNINZKDIEA-ZZVYKPCYSA-N -1 0 351.403 -0.508 20 0 FBADRM CC(=O)N1C[C@@H]2CN(C(=O)C(=O)N3C[C@H](C(=O)[O-])C[C@H](C)C3)C[C@@H]2C1 ZINC000883636363 661578595 /nfs/dbraw/zinc/57/85/95/661578595.db2.gz QGUXQOCQWSVJTF-AHLTXXRQSA-N -1 0 351.403 -0.508 20 0 FBADRM CC(=O)N1C[C@@H]2CN(C(=O)C(=O)N3C[C@H](C)C[C@H](C(=O)[O-])C3)C[C@@H]2C1 ZINC000883636364 661578616 /nfs/dbraw/zinc/57/86/16/661578616.db2.gz QGUXQOCQWSVJTF-CABNGKKXSA-N -1 0 351.403 -0.508 20 0 FBADRM CC(=O)N1C[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C)C[C@H](C(=O)[O-])C3)C[C@@H]2C1 ZINC000883636365 661578683 /nfs/dbraw/zinc/57/86/83/661578683.db2.gz QGUXQOCQWSVJTF-DOERSZECSA-N -1 0 351.403 -0.508 20 0 FBADRM CC(=O)N1C[C@@H]2CN(C(=O)C(=O)N3C[C@H](C)C[C@@H](C(=O)[O-])C3)C[C@@H]2C1 ZINC000883636366 661578653 /nfs/dbraw/zinc/57/86/53/661578653.db2.gz QGUXQOCQWSVJTF-ZRJCITRHSA-N -1 0 351.403 -0.508 20 0 FBADRM O=C([O-])COCCNC(=O)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000884473905 661590202 /nfs/dbraw/zinc/59/02/02/661590202.db2.gz KLKLVBOHNIFLKT-UHFFFAOYSA-N -1 0 355.416 -0.390 20 0 FBADRM O=C([O-])COCCNC(=O)C(=O)N1CCN(CCc2cccs2)CC1 ZINC000884474433 661590331 /nfs/dbraw/zinc/59/03/31/661590331.db2.gz AAUHLAUGSAZIBD-UHFFFAOYSA-N -1 0 369.443 -0.348 20 0 FBADRM O=C([O-])COCCNC(=O)C(=O)N1CCN(Cc2ccsc2)CC1 ZINC000884474617 661590272 /nfs/dbraw/zinc/59/02/72/661590272.db2.gz HAKYZCHJOCVFAH-UHFFFAOYSA-N -1 0 355.416 -0.390 20 0 FBADRM O=C([O-])COCCNC(=O)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000884474825 661590292 /nfs/dbraw/zinc/59/02/92/661590292.db2.gz NDTXIVUNSUELSB-UHFFFAOYSA-N -1 0 353.350 -0.308 20 0 FBADRM CC[C@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])CCN1CC(F)F ZINC000884474995 661590220 /nfs/dbraw/zinc/59/02/20/661590220.db2.gz TUKMHQZVZPCPMB-JTQLQIEISA-N -1 0 351.350 -0.608 20 0 FBADRM CC[C@@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])CCN1CC(F)F ZINC000884474996 661590150 /nfs/dbraw/zinc/59/01/50/661590150.db2.gz TUKMHQZVZPCPMB-SNVBAGLBSA-N -1 0 351.350 -0.608 20 0 FBADRM O=C([O-])COCCNC(=O)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000884477281 661590279 /nfs/dbraw/zinc/59/02/79/661590279.db2.gz RPRJHRCYPURNGB-UHFFFAOYSA-N -1 0 353.350 -0.308 20 0 FBADRM O=C([O-])COCCNC(=O)C(=O)N1CCN(c2cccc(F)c2)CC1 ZINC000884478200 661590249 /nfs/dbraw/zinc/59/02/49/661590249.db2.gz TZRAFGYRYYSSEW-UHFFFAOYSA-N -1 0 353.350 -0.308 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000886184564 661608506 /nfs/dbraw/zinc/60/85/06/661608506.db2.gz DYQHQEUCLTYRQG-BDAKNGLRSA-N -1 0 372.369 -0.950 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000886184565 661608438 /nfs/dbraw/zinc/60/84/38/661608438.db2.gz DYQHQEUCLTYRQG-IUCAKERBSA-N -1 0 372.369 -0.950 20 0 FBADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000886184616 661608723 /nfs/dbraw/zinc/60/87/23/661608723.db2.gz GETJTOOEQLAUNF-LURJTMIESA-N -1 0 351.306 -0.216 20 0 FBADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000886184617 661608775 /nfs/dbraw/zinc/60/87/75/661608775.db2.gz GETJTOOEQLAUNF-ZCFIWIBFSA-N -1 0 351.306 -0.216 20 0 FBADRM O=C(CSc1n[n-]c(=S)s1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000886189997 661610219 /nfs/dbraw/zinc/61/02/19/661610219.db2.gz XTLZTYHTTPZWPA-LURJTMIESA-N -1 0 367.503 -0.720 20 0 FBADRM O=C(CSc1n[n-]c(=S)s1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000886189998 661610168 /nfs/dbraw/zinc/61/01/68/661610168.db2.gz XTLZTYHTTPZWPA-ZCFIWIBFSA-N -1 0 367.503 -0.720 20 0 FBADRM O=C(CCc1nnn[n-]1)N1CCn2ncc(I)c2C1 ZINC000886196779 661612894 /nfs/dbraw/zinc/61/28/94/661612894.db2.gz BQWVEVDKOKTNDF-UHFFFAOYSA-N -1 0 373.158 -0.024 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@@H]([C@H]3CCCO3)C1)C2 ZINC000887052053 661617966 /nfs/dbraw/zinc/61/79/66/661617966.db2.gz IPKIACYIWNBCGE-HPTBWKMGSA-N -1 0 352.387 -0.427 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@@H]([C@@H]3CCCO3)C1)C2 ZINC000887052054 661617944 /nfs/dbraw/zinc/61/79/44/661617944.db2.gz IPKIACYIWNBCGE-KOFHJDLBSA-N -1 0 352.387 -0.427 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@H]([C@@H]3CCCO3)C1)C2 ZINC000887052055 661618098 /nfs/dbraw/zinc/61/80/98/661618098.db2.gz IPKIACYIWNBCGE-PFHKOEEOSA-N -1 0 352.387 -0.427 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@H]([C@H]3CCCO3)C1)C2 ZINC000887052056 661618121 /nfs/dbraw/zinc/61/81/21/661618121.db2.gz IPKIACYIWNBCGE-SFDCBXKLSA-N -1 0 352.387 -0.427 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H]([C@H]3CCCO3)C2)C1 ZINC000887054361 661617985 /nfs/dbraw/zinc/61/79/85/661617985.db2.gz ZAAYEZIPSYTNGE-AHIWAGSCSA-N -1 0 354.403 -0.036 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H]([C@@H]3CCCO3)C2)C1 ZINC000887054362 661618057 /nfs/dbraw/zinc/61/80/57/661618057.db2.gz ZAAYEZIPSYTNGE-DCGLDWPTSA-N -1 0 354.403 -0.036 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H]([C@@H]3CCCO3)C2)C1 ZINC000887054363 661618111 /nfs/dbraw/zinc/61/81/11/661618111.db2.gz ZAAYEZIPSYTNGE-IGCXYCKISA-N -1 0 354.403 -0.036 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H]([C@H]3CCCO3)C2)C1 ZINC000887054364 661618124 /nfs/dbraw/zinc/61/81/24/661618124.db2.gz ZAAYEZIPSYTNGE-XNJGSVPQSA-N -1 0 354.403 -0.036 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2[C@@H]3CC[C@H]2CC(=O)N(C)C3)C1 ZINC000887057418 661618116 /nfs/dbraw/zinc/61/81/16/661618116.db2.gz FKDYSFSKXHOHRU-FVCCEPFGSA-N -1 0 351.403 -0.223 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2[C@@H]3CC[C@H]2CC(=O)N(C)C3)C1 ZINC000887057419 661618021 /nfs/dbraw/zinc/61/80/21/661618021.db2.gz FKDYSFSKXHOHRU-MROQNXINSA-N -1 0 351.403 -0.223 20 0 FBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2[C@@H]3CC[C@H]2CC(=O)N(C)C3)C1 ZINC000887057420 661618113 /nfs/dbraw/zinc/61/81/13/661618113.db2.gz FKDYSFSKXHOHRU-QNWHQSFQSA-N -1 0 351.403 -0.223 20 0 FBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2[C@@H]3CC[C@H]2CC(=O)N(C)C3)C1 ZINC000887057421 661618013 /nfs/dbraw/zinc/61/80/13/661618013.db2.gz FKDYSFSKXHOHRU-ZDEQEGDKSA-N -1 0 351.403 -0.223 20 0 FBADRM CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000887057554 661618082 /nfs/dbraw/zinc/61/80/82/661618082.db2.gz LCGLWVWRXDPCEP-NEPJUHHUSA-N -1 0 351.403 -0.079 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2[C@@H]3CC[C@H]2CC(=O)N(C)C3)CC[C@@H]1C(=O)[O-] ZINC000887057750 661618275 /nfs/dbraw/zinc/61/82/75/661618275.db2.gz WHXAZFJKNNOCRR-RVMXOQNASA-N -1 0 351.403 -0.223 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2[C@@H]3CC[C@H]2CC(=O)N(C)C3)CC[C@H]1C(=O)[O-] ZINC000887057751 661618349 /nfs/dbraw/zinc/61/83/49/661618349.db2.gz WHXAZFJKNNOCRR-WUHRBBMRSA-N -1 0 351.403 -0.223 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2[C@@H]3CC[C@H]2CC(=O)N(C)C3)CC[C@@H]1C(=O)[O-] ZINC000887057752 661618434 /nfs/dbraw/zinc/61/84/34/661618434.db2.gz WHXAZFJKNNOCRR-XQHKEYJVSA-N -1 0 351.403 -0.223 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2[C@@H]3CC[C@H]2CC(=O)N(C)C3)CC[C@H]1C(=O)[O-] ZINC000887057753 661618339 /nfs/dbraw/zinc/61/83/39/661618339.db2.gz WHXAZFJKNNOCRR-YVECIDJPSA-N -1 0 351.403 -0.223 20 0 FBADRM CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000887057798 661618252 /nfs/dbraw/zinc/61/82/52/661618252.db2.gz YFWNLADDBZJGHG-UPJWGTAASA-N -1 0 351.403 -0.079 20 0 FBADRM CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000887057799 661618395 /nfs/dbraw/zinc/61/83/95/661618395.db2.gz YFWNLADDBZJGHG-XQQFMLRXSA-N -1 0 351.403 -0.079 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2[C@@H]3CC[C@H]2CC(=O)N(C)C3)C[C@@H]1C(=O)[O-] ZINC000887057842 661618278 /nfs/dbraw/zinc/61/82/78/661618278.db2.gz ZYGUZGWQCDFUFT-RVMXOQNASA-N -1 0 351.403 -0.223 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2[C@@H]3CC[C@H]2CC(=O)N(C)C3)C[C@H]1C(=O)[O-] ZINC000887057843 661618465 /nfs/dbraw/zinc/61/84/65/661618465.db2.gz ZYGUZGWQCDFUFT-WUHRBBMRSA-N -1 0 351.403 -0.223 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2[C@@H]3CC[C@H]2CC(=O)N(C)C3)C[C@@H]1C(=O)[O-] ZINC000887057844 661618428 /nfs/dbraw/zinc/61/84/28/661618428.db2.gz ZYGUZGWQCDFUFT-XQHKEYJVSA-N -1 0 351.403 -0.223 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2[C@@H]3CC[C@H]2CC(=O)N(C)C3)C[C@H]1C(=O)[O-] ZINC000887057845 661618327 /nfs/dbraw/zinc/61/83/27/661618327.db2.gz ZYGUZGWQCDFUFT-YVECIDJPSA-N -1 0 351.403 -0.223 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])CC1 ZINC000887309500 661620166 /nfs/dbraw/zinc/62/01/66/661620166.db2.gz XVTRANSTFGZZCS-XQHKEYJVSA-N -1 0 357.432 -0.540 20 0 FBADRM CN(C)S(=O)(=O)N1CCCN(C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])CC1 ZINC000887310633 661620099 /nfs/dbraw/zinc/62/00/99/661620099.db2.gz LOCPHIBASFWCFR-RQJABVFESA-N -1 0 371.459 -0.150 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@H](CS(C)(=O)=O)C1 ZINC000887754282 661621403 /nfs/dbraw/zinc/62/14/03/661621403.db2.gz AZWMIMPCGZLHAO-UWVGGRQHSA-N -1 0 374.381 -0.039 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 ZINC000887754283 661621328 /nfs/dbraw/zinc/62/13/28/661621328.db2.gz AZWMIMPCGZLHAO-ZJUUUORDSA-N -1 0 374.381 -0.039 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 ZINC000887754576 661621357 /nfs/dbraw/zinc/62/13/57/661621357.db2.gz HYUVEIKDLMMXLT-MRVPVSSYSA-N -1 0 360.354 -0.285 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@H](CS(C)(=O)=O)C1 ZINC000887754577 661621435 /nfs/dbraw/zinc/62/14/35/661621435.db2.gz HYUVEIKDLMMXLT-QMMMGPOBSA-N -1 0 360.354 -0.285 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000888325803 660395379 /nfs/dbraw/zinc/39/53/79/660395379.db2.gz WSRDPDUWUSKMRL-BDAKNGLRSA-N -1 0 361.328 -0.011 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000888325804 660395393 /nfs/dbraw/zinc/39/53/93/660395393.db2.gz WSRDPDUWUSKMRL-DTWKUNHWSA-N -1 0 361.328 -0.011 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000888325805 660395333 /nfs/dbraw/zinc/39/53/33/660395333.db2.gz WSRDPDUWUSKMRL-IUCAKERBSA-N -1 0 361.328 -0.011 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000888325806 660395363 /nfs/dbraw/zinc/39/53/63/660395363.db2.gz WSRDPDUWUSKMRL-RKDXNWHRSA-N -1 0 361.328 -0.011 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000888332551 660396597 /nfs/dbraw/zinc/39/65/97/660396597.db2.gz BCOUFLGDYXOLOP-GFCCVEGCSA-N -1 0 350.427 -0.725 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000888332552 660396562 /nfs/dbraw/zinc/39/65/62/660396562.db2.gz BCOUFLGDYXOLOP-LBPRGKRZSA-N -1 0 350.427 -0.725 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000888343711 660396510 /nfs/dbraw/zinc/39/65/10/660396510.db2.gz UMUORCBCLWMYDO-UHFFFAOYSA-N -1 0 350.427 -0.867 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000888345224 660396667 /nfs/dbraw/zinc/39/66/67/660396667.db2.gz SQXDWTSXLIYPOK-UHFFFAOYSA-N -1 0 350.427 -0.723 20 0 FBADRM CCN(CC)C(=O)CN1CCCN(C(=O)N=c2nn[n-]n2CC)CC1 ZINC000888345235 660396705 /nfs/dbraw/zinc/39/67/05/660396705.db2.gz TUEZVJZNKSJGEU-UHFFFAOYSA-N -1 0 352.443 -0.477 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCS(=O)(=O)N1CCCC1 ZINC000888863684 661560613 /nfs/dbraw/zinc/56/06/13/661560613.db2.gz XTHIBBLNOASRHK-UHFFFAOYSA-N -1 0 359.370 -0.015 20 0 FBADRM CS(=O)(=O)N1CCN(CC(=O)[N-]OCCOc2ccccc2)CC1 ZINC000889447778 661624649 /nfs/dbraw/zinc/62/46/49/661624649.db2.gz DKKOSLIMPAMEMT-UHFFFAOYSA-N -1 0 357.432 -0.310 20 0 FBADRM C[C@H]1C(=O)NCCCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000891309866 657383483 /nfs/dbraw/zinc/38/34/83/657383483.db2.gz OXCMETOEFPKCMO-VIFPVBQESA-N -1 0 361.370 -0.020 20 0 FBADRM CS(=O)(=O)N1CCN(CCN=c2nn[n-]n2Cc2ccccc2)CC1 ZINC000891968680 657492430 /nfs/dbraw/zinc/49/24/30/657492430.db2.gz AUMZXXVDLGFHKJ-UHFFFAOYSA-N -1 0 365.463 -0.868 20 0 FBADRM O=C1NC[C@@H]2CN(Cc3ncc(Br)cc3[O-])CCN2C1=O ZINC000892213107 657518803 /nfs/dbraw/zinc/51/88/03/657518803.db2.gz WWNLJQVUQOMBAW-SECBINFHSA-N -1 0 355.192 -0.308 20 0 FBADRM O=C1NC[C@H]2CN(Cc3ncc(Br)cc3[O-])CCN2C1=O ZINC000892213124 657518664 /nfs/dbraw/zinc/51/86/64/657518664.db2.gz WWNLJQVUQOMBAW-VIFPVBQESA-N -1 0 355.192 -0.308 20 0 FBADRM O=S(=O)(CCN=c1nn[n-]n1Cc1ccccc1)N1CCSCC1 ZINC000892404101 657965765 /nfs/dbraw/zinc/96/57/65/657965765.db2.gz XUFPRBQIDQZGRE-UHFFFAOYSA-N -1 0 368.488 -0.066 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)Cc2c(Br)cnn2C)cn1 ZINC000892427901 658059712 /nfs/dbraw/zinc/05/97/12/658059712.db2.gz RXISQZNDICLJHX-UHFFFAOYSA-N -1 0 362.209 -0.036 20 0 FBADRM Cn1ncc(Br)c1CC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000892690427 658491173 /nfs/dbraw/zinc/49/11/73/658491173.db2.gz CQDIWASATZMGTJ-SSDOTTSWSA-N -1 0 352.210 -0.040 20 0 FBADRM Cn1ncc(Br)c1CC(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000892690435 658491481 /nfs/dbraw/zinc/49/14/81/658491481.db2.gz CQDIWASATZMGTJ-ZETCQYMHSA-N -1 0 352.210 -0.040 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c(Br)n1 ZINC000892745196 658543635 /nfs/dbraw/zinc/54/36/35/658543635.db2.gz SLTBZYSVTSNKBO-UHFFFAOYSA-N -1 0 353.198 -0.511 20 0 FBADRM Cn1ncc(Br)c1CC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000892745368 658543694 /nfs/dbraw/zinc/54/36/94/658543694.db2.gz VTVWKEZPNSEVRE-UHFFFAOYSA-N -1 0 367.225 -0.582 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cc1c(Br)cnn1C ZINC000892842108 658556480 /nfs/dbraw/zinc/55/64/80/658556480.db2.gz ADKSCUYCSUHMGR-UHFFFAOYSA-N -1 0 369.241 -0.336 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1Br ZINC000892842777 658556312 /nfs/dbraw/zinc/55/63/12/658556312.db2.gz QDBMIJIEUUHPTN-UHFFFAOYSA-N -1 0 355.214 -0.265 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cn(C)nc1Br ZINC000892864450 658558523 /nfs/dbraw/zinc/55/85/23/658558523.db2.gz VRRKIDMMGRTNCJ-UHFFFAOYSA-N -1 0 370.225 -0.095 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1c2c(nn1C)CCSC2 ZINC000892864533 658558569 /nfs/dbraw/zinc/55/85/69/658558569.db2.gz XMTCWCKJWZBFNA-UHFFFAOYSA-N -1 0 363.461 -0.068 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000893066252 658649107 /nfs/dbraw/zinc/64/91/07/658649107.db2.gz BDZHJRBOYQNJNG-UHFFFAOYSA-N -1 0 358.464 -0.613 20 0 FBADRM CCc1ccc(CC(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)nc1 ZINC000893066390 658649122 /nfs/dbraw/zinc/64/91/22/658649122.db2.gz COKLWBKJGPWLRZ-UHFFFAOYSA-N -1 0 354.432 -0.288 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000893067289 658649176 /nfs/dbraw/zinc/64/91/76/658649176.db2.gz JREPRAHEXWUDAJ-CYBMUJFWSA-N -1 0 359.448 -0.139 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CCOC3(CCC3)C2)CC1 ZINC000893067290 658649260 /nfs/dbraw/zinc/64/92/60/658649260.db2.gz JREPRAHEXWUDAJ-ZDUSSCGKSA-N -1 0 359.448 -0.139 20 0 FBADRM CO[C@]1(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)CCSC1 ZINC000893068206 658649340 /nfs/dbraw/zinc/64/93/40/658649340.db2.gz NDULBNPSIKFELE-GFCCVEGCSA-N -1 0 351.450 -0.966 20 0 FBADRM CO[C@@]1(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)CCSC1 ZINC000893068207 658649078 /nfs/dbraw/zinc/64/90/78/658649078.db2.gz NDULBNPSIKFELE-LBPRGKRZSA-N -1 0 351.450 -0.966 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)Cc2sc(C)nc2C)CC1 ZINC000893069346 658648796 /nfs/dbraw/zinc/64/87/96/658648796.db2.gz SXRNOWJSROMEFL-UHFFFAOYSA-N -1 0 360.461 -0.172 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cn(C)nc1Br ZINC000893226235 658660268 /nfs/dbraw/zinc/66/02/68/658660268.db2.gz BSHZKLJKDUFSAS-UHFFFAOYSA-N -1 0 370.225 -0.096 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1c2c(nn1C)CCSC2 ZINC000893226753 658660172 /nfs/dbraw/zinc/66/01/72/658660172.db2.gz GJKQNLKJILPTKP-UHFFFAOYSA-N -1 0 363.461 -0.070 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1c2c(nn1C)CCSC2)OC ZINC000893247664 658662647 /nfs/dbraw/zinc/66/26/47/658662647.db2.gz NKGWFMVKNJCPKE-SECBINFHSA-N -1 0 363.461 -0.070 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1c2c(nn1C)CCSC2)OC ZINC000893247666 658662355 /nfs/dbraw/zinc/66/23/55/658662355.db2.gz NKGWFMVKNJCPKE-VIFPVBQESA-N -1 0 363.461 -0.070 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cn(C)nc1Br)OC ZINC000893249122 658662768 /nfs/dbraw/zinc/66/27/68/658662768.db2.gz ZZTRKBJJLPVBQH-SSDOTTSWSA-N -1 0 370.225 -0.096 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cn(C)nc1Br)OC ZINC000893249123 658662371 /nfs/dbraw/zinc/66/23/71/658662371.db2.gz ZZTRKBJJLPVBQH-ZETCQYMHSA-N -1 0 370.225 -0.096 20 0 FBADRM CN(C)Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cn(C)c(=O)n1C ZINC000893297752 658677265 /nfs/dbraw/zinc/67/72/65/658677265.db2.gz NHELJTUUCUSBPK-UHFFFAOYSA-N -1 0 352.416 -0.096 20 0 FBADRM CCOC(=O)CCN(C)S(=O)(=O)[N-]C(=O)CN(C)[C@@H]1CCSC1 ZINC000893422344 658760776 /nfs/dbraw/zinc/76/07/76/658760776.db2.gz HFWOLVVMGFCFRL-LLVKDONJSA-N -1 0 367.493 -0.330 20 0 FBADRM CCOC(=O)CCN(C)S(=O)(=O)[N-]C(=O)CN(C)[C@H]1CCSC1 ZINC000893422345 658760905 /nfs/dbraw/zinc/76/09/05/658760905.db2.gz HFWOLVVMGFCFRL-NSHDSACASA-N -1 0 367.493 -0.330 20 0 FBADRM O=C(c1cccc(F)c1[O-])N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000893792280 658914973 /nfs/dbraw/zinc/91/49/73/658914973.db2.gz AQLDWSYTUYNJAE-CHWSQXEVSA-N -1 0 358.391 -0.553 20 0 FBADRM O=C(c1cccc(F)c1[O-])N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000893792321 658914944 /nfs/dbraw/zinc/91/49/44/658914944.db2.gz AQLDWSYTUYNJAE-OLZOCXBDSA-N -1 0 358.391 -0.553 20 0 FBADRM O=C(c1cccc(F)c1[O-])N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000893792324 658915141 /nfs/dbraw/zinc/91/51/41/658915141.db2.gz AQLDWSYTUYNJAE-QWHCGFSZSA-N -1 0 358.391 -0.553 20 0 FBADRM O=C(c1cccc(F)c1[O-])N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000893792327 658915096 /nfs/dbraw/zinc/91/50/96/658915096.db2.gz AQLDWSYTUYNJAE-STQMWFEESA-N -1 0 358.391 -0.553 20 0 FBADRM CN(C)S(=O)(=O)N1CCC[C@@H](N=c2nn[n-]n2Cc2ccccc2)C1 ZINC000893854522 658916612 /nfs/dbraw/zinc/91/66/12/658916612.db2.gz BBCOSRHSMDBTFP-CQSZACIVSA-N -1 0 365.463 -0.174 20 0 FBADRM CN(C)S(=O)(=O)C1(CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1 ZINC000894547645 658982180 /nfs/dbraw/zinc/98/21/80/658982180.db2.gz IKINVONBBJJDKT-UHFFFAOYSA-N -1 0 359.370 -0.016 20 0 FBADRM O=S1(=O)NC[C@@H]2CN(Cc3ncc(Br)cc3[O-])CCN21 ZINC000897274321 659878233 /nfs/dbraw/zinc/87/82/33/659878233.db2.gz GUDROUVUEXNWNJ-SECBINFHSA-N -1 0 363.237 -0.116 20 0 FBADRM O=S1(=O)NC[C@H]2CN(Cc3ncc(Br)cc3[O-])CCN21 ZINC000897274322 659878169 /nfs/dbraw/zinc/87/81/69/659878169.db2.gz GUDROUVUEXNWNJ-VIFPVBQESA-N -1 0 363.237 -0.116 20 0 FBADRM Cc1[nH]nc(I)c1C(=O)[N-]N1CC(=O)N(C)C1=O ZINC000897284361 659879756 /nfs/dbraw/zinc/87/97/56/659879756.db2.gz ZIGWWRDVJGOKMA-UHFFFAOYSA-N -1 0 363.115 -0.138 20 0 FBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000898483218 659989854 /nfs/dbraw/zinc/98/98/54/659989854.db2.gz OUJASHCTXRHIPU-AWEZNQCLSA-N -1 0 374.507 -0.690 20 0 FBADRM CSCCO[N-]C(=O)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000898483219 659989784 /nfs/dbraw/zinc/98/97/84/659989784.db2.gz OUJASHCTXRHIPU-CQSZACIVSA-N -1 0 374.507 -0.690 20 0 FBADRM C[C@H]1C(=O)N([N-]C(=O)c2c[nH]nc2I)C(=O)N1C ZINC000899038831 659994694 /nfs/dbraw/zinc/99/46/94/659994694.db2.gz BLAROSCWLVNMQN-BYPYZUCNSA-N -1 0 363.115 -0.058 20 0 FBADRM C[C@@H]1C(=O)N([N-]C(=O)c2c[nH]nc2I)C(=O)N1C ZINC000899038835 659994691 /nfs/dbraw/zinc/99/46/91/659994691.db2.gz BLAROSCWLVNMQN-SCSAIBSYSA-N -1 0 363.115 -0.058 20 0 FBADRM CO[C@@]1(C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)CCS(=O)(=O)C1 ZINC000899183291 659995514 /nfs/dbraw/zinc/99/55/14/659995514.db2.gz BIGCTSAKXHGCON-NEPJUHHUSA-N -1 0 372.365 -0.140 20 0 FBADRM CO[C@]1(C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)CCS(=O)(=O)C1 ZINC000899183293 659995441 /nfs/dbraw/zinc/99/54/41/659995441.db2.gz BIGCTSAKXHGCON-NWDGAFQWSA-N -1 0 372.365 -0.140 20 0 FBADRM CO[C@@]1(C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)CCS(=O)(=O)C1 ZINC000899183296 659995530 /nfs/dbraw/zinc/99/55/30/659995530.db2.gz BIGCTSAKXHGCON-RYUDHWBXSA-N -1 0 372.365 -0.140 20 0 FBADRM CO[C@]1(C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)CCS(=O)(=O)C1 ZINC000899183299 659995430 /nfs/dbraw/zinc/99/54/30/659995430.db2.gz BIGCTSAKXHGCON-VXGBXAGGSA-N -1 0 372.365 -0.140 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NC1CCN(CC(N)=O)CC1 ZINC000899307379 659996610 /nfs/dbraw/zinc/99/66/10/659996610.db2.gz KYYISPOWDZQURH-UHFFFAOYSA-N -1 0 354.432 -0.262 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])CC1 ZINC000899824634 660001187 /nfs/dbraw/zinc/00/11/87/660001187.db2.gz BPOUFDBKPPONQN-DVZHBHJUSA-N -1 0 371.459 -0.150 20 0 FBADRM CCn1c(=O)c2ccc(C(=O)N[C@H](CO)C(=O)OC)cc2[n-]c1=S ZINC000899889522 660001559 /nfs/dbraw/zinc/00/15/59/660001559.db2.gz FTDZLHWCKVZXJR-LLVKDONJSA-N -1 0 351.384 -0.031 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCn2ncc(I)c2C1 ZINC000900717883 662285326 /nfs/dbraw/zinc/28/53/26/662285326.db2.gz GVQVCQLSTFURGH-UHFFFAOYSA-N -1 0 360.115 -0.033 20 0 FBADRM O=C(CN1CCNCC1=O)[N-]S(=O)(=O)[C@H]1CCCc2ccccc21 ZINC000901029319 662296834 /nfs/dbraw/zinc/29/68/34/662296834.db2.gz CLFIGXJHHRMCFV-AWEZNQCLSA-N -1 0 351.428 -0.058 20 0 FBADRM O=C(CN1CCNCC1=O)[N-]S(=O)(=O)[C@@H]1CCCc2ccccc21 ZINC000901029323 662296738 /nfs/dbraw/zinc/29/67/38/662296738.db2.gz CLFIGXJHHRMCFV-CQSZACIVSA-N -1 0 351.428 -0.058 20 0 FBADRM O=C(CN1CCNCC1=O)[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000901054786 662297160 /nfs/dbraw/zinc/29/71/60/662297160.db2.gz JRFIHFRRQKZTBL-UHFFFAOYSA-N -1 0 359.835 -0.240 20 0 FBADRM Cn1nc(I)cc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000901451515 662309699 /nfs/dbraw/zinc/30/96/99/662309699.db2.gz YISOWZMPXDDBEA-SSDOTTSWSA-N -1 0 365.127 -0.050 20 0 FBADRM Cn1nc(I)cc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000901451516 660224612 /nfs/dbraw/zinc/22/46/12/660224612.db2.gz YISOWZMPXDDBEA-ZETCQYMHSA-N -1 0 365.127 -0.050 20 0 FBADRM Cn1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(I)n1 ZINC000901453798 662309602 /nfs/dbraw/zinc/30/96/02/662309602.db2.gz QZSWELZUDRCPDL-SSDOTTSWSA-N -1 0 365.127 -0.050 20 0 FBADRM Cn1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c(I)n1 ZINC000901453799 662309789 /nfs/dbraw/zinc/30/97/89/662309789.db2.gz QZSWELZUDRCPDL-ZETCQYMHSA-N -1 0 365.127 -0.050 20 0 FBADRM CSc1nc(=O)n(CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)[n-]1 ZINC000901539393 662310360 /nfs/dbraw/zinc/31/03/60/662310360.db2.gz YPONCXNGKMOOFL-UHFFFAOYSA-N -1 0 355.342 -0.228 20 0 FBADRM Cn1nc(I)cc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000901571071 660246609 /nfs/dbraw/zinc/24/66/09/660246609.db2.gz DPPIAIJVLHYYRL-SSDOTTSWSA-N -1 0 365.127 -0.050 20 0 FBADRM Cn1nc(I)cc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000901571072 660246649 /nfs/dbraw/zinc/24/66/49/660246649.db2.gz DPPIAIJVLHYYRL-ZETCQYMHSA-N -1 0 365.127 -0.050 20 0 FBADRM Cn1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c(I)n1 ZINC000901573424 662311739 /nfs/dbraw/zinc/31/17/39/662311739.db2.gz XNRNOEOVOPJOCP-SSDOTTSWSA-N -1 0 365.127 -0.050 20 0 FBADRM Cn1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])c(I)n1 ZINC000901573425 662311884 /nfs/dbraw/zinc/31/18/84/662311884.db2.gz XNRNOEOVOPJOCP-ZETCQYMHSA-N -1 0 365.127 -0.050 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)C2(C(=O)[O-])CCSCC2)CC1 ZINC000901810575 660390615 /nfs/dbraw/zinc/39/06/15/660390615.db2.gz MCOQHWJCBKZOJC-UHFFFAOYSA-N -1 0 365.477 -0.465 20 0 FBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000901848189 662315643 /nfs/dbraw/zinc/31/56/43/662315643.db2.gz DFDAUFZXLZVWGG-AWEZNQCLSA-N -1 0 354.334 -0.025 20 0 FBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000901848190 662315633 /nfs/dbraw/zinc/31/56/33/662315633.db2.gz DFDAUFZXLZVWGG-CQSZACIVSA-N -1 0 354.334 -0.025 20 0 FBADRM COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)CC1 ZINC000901940622 662316496 /nfs/dbraw/zinc/31/64/96/662316496.db2.gz OUVFFFYYOCDMEK-IGCXYCKISA-N -1 0 355.435 -0.217 20 0 FBADRM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)CC1 ZINC000901940623 662316391 /nfs/dbraw/zinc/31/63/91/662316391.db2.gz OUVFFFYYOCDMEK-XNJGSVPQSA-N -1 0 355.435 -0.217 20 0 FBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000901941853 662316433 /nfs/dbraw/zinc/31/64/33/662316433.db2.gz DEIIYNWPWRKLIB-PIMMBPRGSA-N -1 0 355.435 -0.075 20 0 FBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000901941855 662316333 /nfs/dbraw/zinc/31/63/33/662316333.db2.gz DEIIYNWPWRKLIB-SSDMNJCBSA-N -1 0 355.435 -0.075 20 0 FBADRM Cn1ncc([N-]S(=O)(=O)c2cnnn2C)c1I ZINC000901964269 662316459 /nfs/dbraw/zinc/31/64/59/662316459.db2.gz GJYLTTBJFWJXMT-UHFFFAOYSA-N -1 0 368.160 -0.046 20 0 FBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000901971958 662316652 /nfs/dbraw/zinc/31/66/52/662316652.db2.gz MXCVFIHFCVXTLA-GUTXKFCHSA-N -1 0 355.435 -0.075 20 0 FBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000901971959 662316770 /nfs/dbraw/zinc/31/67/70/662316770.db2.gz MXCVFIHFCVXTLA-IPYPFGDCSA-N -1 0 355.435 -0.075 20 0 FBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000901971960 662316683 /nfs/dbraw/zinc/31/66/83/662316683.db2.gz MXCVFIHFCVXTLA-NFAWXSAZSA-N -1 0 355.435 -0.075 20 0 FBADRM CO[C@H](C(=O)[O-])C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000901971961 662316789 /nfs/dbraw/zinc/31/67/89/662316789.db2.gz MXCVFIHFCVXTLA-YDHLFZDLSA-N -1 0 355.435 -0.075 20 0 FBADRM CN1CC[C@@](C)(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)C1=O ZINC000901992135 662316606 /nfs/dbraw/zinc/31/66/06/662316606.db2.gz GTHLZPXOYMJQJO-APPDUMDISA-N -1 0 351.403 -0.221 20 0 FBADRM CN1CC[C@](C)(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)C1=O ZINC000901992136 662316712 /nfs/dbraw/zinc/31/67/12/662316712.db2.gz GTHLZPXOYMJQJO-DIFFPNOSSA-N -1 0 351.403 -0.221 20 0 FBADRM CN1CC[C@](C)(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)C1=O ZINC000901992137 662316819 /nfs/dbraw/zinc/31/68/19/662316819.db2.gz GTHLZPXOYMJQJO-GTNSWQLSSA-N -1 0 351.403 -0.221 20 0 FBADRM CN1CC[C@@](C)(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)C1=O ZINC000901992138 662316705 /nfs/dbraw/zinc/31/67/05/662316705.db2.gz GTHLZPXOYMJQJO-PIGZYNQJSA-N -1 0 351.403 -0.221 20 0 FBADRM CN1C(=O)CCC[C@H]1C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000901993036 662316725 /nfs/dbraw/zinc/31/67/25/662316725.db2.gz ODCYOMXJSQLIDX-AAEUAGOBSA-N -1 0 351.403 -0.079 20 0 FBADRM CN1C(=O)CCC[C@@H]1C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000901993037 662316810 /nfs/dbraw/zinc/31/68/10/662316810.db2.gz ODCYOMXJSQLIDX-DGCLKSJQSA-N -1 0 351.403 -0.079 20 0 FBADRM CN1C(=O)CCC[C@@H]1C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000901993038 662316674 /nfs/dbraw/zinc/31/66/74/662316674.db2.gz ODCYOMXJSQLIDX-WCQYABFASA-N -1 0 351.403 -0.079 20 0 FBADRM CN1C(=O)CCC[C@H]1C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000901993039 662316774 /nfs/dbraw/zinc/31/67/74/662316774.db2.gz ODCYOMXJSQLIDX-YPMHNXCESA-N -1 0 351.403 -0.079 20 0 FBADRM CN1C(=O)CS/C1=C\C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000901994484 662316806 /nfs/dbraw/zinc/31/68/06/662316806.db2.gz YDPZRVHVCDDPNT-CBQSTYFFSA-N -1 0 367.427 -0.043 20 0 FBADRM CN1C(=O)CS/C1=C/C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000901994485 662316722 /nfs/dbraw/zinc/31/67/22/662316722.db2.gz YDPZRVHVCDDPNT-MIJYTDESSA-N -1 0 367.427 -0.043 20 0 FBADRM CN1C(=O)CS/C1=C\C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000901994486 662316692 /nfs/dbraw/zinc/31/66/92/662316692.db2.gz YDPZRVHVCDDPNT-VNCYPQDWSA-N -1 0 367.427 -0.043 20 0 FBADRM CN1C(=O)CS/C1=C/C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000901994487 662316755 /nfs/dbraw/zinc/31/67/55/662316755.db2.gz YDPZRVHVCDDPNT-XVBMGZJVSA-N -1 0 367.427 -0.043 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F)C2 ZINC000902060228 662317529 /nfs/dbraw/zinc/31/75/29/662317529.db2.gz LRERIICKYFEQRX-LOKDSWTASA-N -1 0 350.293 -0.139 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F)C2 ZINC000902060229 662317277 /nfs/dbraw/zinc/31/72/77/662317277.db2.gz LRERIICKYFEQRX-MRCNFZFLSA-N -1 0 350.293 -0.139 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F)C2 ZINC000902060230 662317317 /nfs/dbraw/zinc/31/73/17/662317317.db2.gz LRERIICKYFEQRX-RVBSWOSCSA-N -1 0 350.293 -0.139 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F)C2 ZINC000902060231 662317488 /nfs/dbraw/zinc/31/74/88/662317488.db2.gz LRERIICKYFEQRX-WBPNIITGSA-N -1 0 350.293 -0.139 20 0 FBADRM Cn1nc(I)cc1C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000902062077 660396477 /nfs/dbraw/zinc/39/64/77/660396477.db2.gz HRYJGNWKBFXRAX-JTQLQIEISA-N -1 0 365.127 -0.002 20 0 FBADRM Cn1nc(I)cc1C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000902062078 660396594 /nfs/dbraw/zinc/39/65/94/660396594.db2.gz HRYJGNWKBFXRAX-SNVBAGLBSA-N -1 0 365.127 -0.002 20 0 FBADRM Cn1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c(I)n1 ZINC000902062294 662317549 /nfs/dbraw/zinc/31/75/49/662317549.db2.gz QEOVJXZCJAVPAK-JTQLQIEISA-N -1 0 365.127 -0.002 20 0 FBADRM Cn1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)c(I)n1 ZINC000902062295 662317382 /nfs/dbraw/zinc/31/73/82/662317382.db2.gz QEOVJXZCJAVPAK-SNVBAGLBSA-N -1 0 365.127 -0.002 20 0 FBADRM C[C@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000902115958 662318924 /nfs/dbraw/zinc/31/89/24/662318924.db2.gz GVDIPGOEGFBURU-CXAGYDPISA-N -1 0 353.419 -0.367 20 0 FBADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000902115959 662318771 /nfs/dbraw/zinc/31/87/71/662318771.db2.gz GVDIPGOEGFBURU-DYVFJYSZSA-N -1 0 353.419 -0.367 20 0 FBADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000902115960 662318908 /nfs/dbraw/zinc/31/89/08/662318908.db2.gz GVDIPGOEGFBURU-GUYCJALGSA-N -1 0 353.419 -0.367 20 0 FBADRM C[C@]1(C(=O)[O-])CCCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000902115961 662318740 /nfs/dbraw/zinc/31/87/40/662318740.db2.gz GVDIPGOEGFBURU-SUMWQHHRSA-N -1 0 353.419 -0.367 20 0 FBADRM Cn1nc(I)cc1C(=O)NCCOCC(=O)[O-] ZINC000902284937 662320670 /nfs/dbraw/zinc/32/06/70/662320670.db2.gz AUBAFVVKALLVBW-UHFFFAOYSA-N -1 0 353.116 -0.144 20 0 FBADRM Cn1cc(C(=O)NCCOCC(=O)[O-])c(I)n1 ZINC000902298927 662320988 /nfs/dbraw/zinc/32/09/88/662320988.db2.gz ZWZKPUFSUCCMDZ-UHFFFAOYSA-N -1 0 353.116 -0.144 20 0 FBADRM Cn1c(=O)cc(CN2c3ccc(F)cc3C([O-])=CS2(=O)=O)n(C)c1=O ZINC000902478170 662322425 /nfs/dbraw/zinc/32/24/25/662322425.db2.gz UFBUTANKWXLFRP-UHFFFAOYSA-N -1 0 367.358 -0.244 20 0 FBADRM CO[C@@H](C(=O)[O-])C(=O)NCc1c(I)cnn1C ZINC000902549621 662323397 /nfs/dbraw/zinc/32/33/97/662323397.db2.gz NBUXOIXCXASLKQ-SSDOTTSWSA-N -1 0 353.116 -0.260 20 0 FBADRM CO[C@H](C(=O)[O-])C(=O)NCc1c(I)cnn1C ZINC000902549622 662323476 /nfs/dbraw/zinc/32/34/76/662323476.db2.gz NBUXOIXCXASLKQ-ZETCQYMHSA-N -1 0 353.116 -0.260 20 0 FBADRM Cn1ncc(I)c1CNC(=O)COCC(=O)[O-] ZINC000902549679 662323452 /nfs/dbraw/zinc/32/34/52/662323452.db2.gz OOAXMKLRUHHQDQ-UHFFFAOYSA-N -1 0 353.116 -0.258 20 0 FBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1COCCN1CC(F)(F)F ZINC000902716059 662326563 /nfs/dbraw/zinc/32/65/63/662326563.db2.gz MIWLGPACFZSQQX-SECBINFHSA-N -1 0 356.297 -0.274 20 0 FBADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000902716060 662326365 /nfs/dbraw/zinc/32/63/65/662326365.db2.gz MIWLGPACFZSQQX-VIFPVBQESA-N -1 0 356.297 -0.274 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000902770040 662327240 /nfs/dbraw/zinc/32/72/40/662327240.db2.gz BMROCFFOTGIAIU-UHFFFAOYSA-N -1 0 371.191 -0.039 20 0 FBADRM Cn1ncc(Br)c1CC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000902770360 662327360 /nfs/dbraw/zinc/32/73/60/662327360.db2.gz KBMMRYQPLCYWCY-UHFFFAOYSA-N -1 0 359.180 -0.520 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)c2cccn(CC(F)(F)F)c2=O)CC1 ZINC000902771217 662327300 /nfs/dbraw/zinc/32/73/00/662327300.db2.gz YFYBEFLMAZYCCT-UHFFFAOYSA-N -1 0 361.276 -0.220 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H](C[C@@H]2COCCO2)C(F)(F)F)CC1 ZINC000902772714 662327212 /nfs/dbraw/zinc/32/72/12/662327212.db2.gz SYAVALSDVRBPAZ-NXEZZACHSA-N -1 0 368.308 -0.274 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)CC1 ZINC000902772715 662327313 /nfs/dbraw/zinc/32/73/13/662327313.db2.gz SYAVALSDVRBPAZ-UWVGGRQHSA-N -1 0 368.308 -0.274 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)CC1 ZINC000902772716 662327402 /nfs/dbraw/zinc/32/74/02/662327402.db2.gz SYAVALSDVRBPAZ-VHSXEESVSA-N -1 0 368.308 -0.274 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)CC1 ZINC000902772717 662327276 /nfs/dbraw/zinc/32/72/76/662327276.db2.gz SYAVALSDVRBPAZ-ZJUUUORDSA-N -1 0 368.308 -0.274 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)Cn2ccc(Br)cc2=O)CC1 ZINC000902773585 662327387 /nfs/dbraw/zinc/32/73/87/662327387.db2.gz UTCVGQHBRYXDMC-UHFFFAOYSA-N -1 0 372.175 -0.634 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H]2COCCN2CC(F)(F)F)CC1 ZINC000902775204 662327412 /nfs/dbraw/zinc/32/74/12/662327412.db2.gz SSOJQQOYVQNLRQ-SECBINFHSA-N -1 0 353.297 -0.995 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2COCCN2CC(F)(F)F)CC1 ZINC000902775205 662327753 /nfs/dbraw/zinc/32/77/53/662327753.db2.gz SSOJQQOYVQNLRQ-VIFPVBQESA-N -1 0 353.297 -0.995 20 0 FBADRM Cn1c(=O)cc(CN2c3ccsc3C([O-])=CS2(=O)=O)n(C)c1=O ZINC000902799686 662328228 /nfs/dbraw/zinc/32/82/28/662328228.db2.gz NLPNDCBEGWUQSP-UHFFFAOYSA-N -1 0 355.397 -0.322 20 0 FBADRM CS(=O)(=O)N1CC(CN2c3ccsc3C([O-])=CS2(=O)=O)C1 ZINC000902804709 662328210 /nfs/dbraw/zinc/32/82/10/662328210.db2.gz FVFLNWTXGKFTCG-UHFFFAOYSA-N -1 0 350.443 -0.028 20 0 FBADRM CN(CC(F)(F)F)C(=O)CN1c2c(cnn2C)C([O-])=CS1(=O)=O ZINC000902833696 662328547 /nfs/dbraw/zinc/32/85/47/662328547.db2.gz IQEUVXKTOQGCLM-UHFFFAOYSA-N -1 0 354.310 -0.227 20 0 FBADRM COCCOCCOCCCN1c2c(cnn2C)C([O-])=CS1(=O)=O ZINC000902833732 662328607 /nfs/dbraw/zinc/32/86/07/662328607.db2.gz JSGQNYVHOCBLHA-UHFFFAOYSA-N -1 0 361.420 -0.178 20 0 FBADRM CC[C@@H]1CN(S(=O)(=O)N(CCOC)CCOC)C[C@@]1(F)C(=O)[O-] ZINC000903026441 662338463 /nfs/dbraw/zinc/33/84/63/662338463.db2.gz OOTWSHSUJORMFM-YPMHNXCESA-N -1 0 356.416 -0.039 20 0 FBADRM CO[C@H](CS(=O)(=O)[N-]C1(CS(C)(=O)=O)COC1)C1CCCC1 ZINC000903176309 662344397 /nfs/dbraw/zinc/34/43/97/662344397.db2.gz ZCFTZDVIHJOXPM-GFCCVEGCSA-N -1 0 355.478 -0.075 20 0 FBADRM CO[C@@H](CS(=O)(=O)[N-]C1(CS(C)(=O)=O)COC1)C1CCCC1 ZINC000903176311 662344212 /nfs/dbraw/zinc/34/42/12/662344212.db2.gz ZCFTZDVIHJOXPM-LBPRGKRZSA-N -1 0 355.478 -0.075 20 0 FBADRM O=C([O-])C1(CCN2CCN(S(=O)(=O)N3CCOCC3)CC2)CCC1 ZINC000903697111 662354485 /nfs/dbraw/zinc/35/44/85/662354485.db2.gz QYAMDDCEJKBKSR-UHFFFAOYSA-N -1 0 361.464 -0.174 20 0 FBADRM CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCOC[C@@H]1C(=O)[O-] ZINC000903701842 662354235 /nfs/dbraw/zinc/35/42/35/662354235.db2.gz TZNVRDHZZRPVNV-SECBINFHSA-N -1 0 355.313 -0.749 20 0 FBADRM CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCOC[C@H]1C(=O)[O-] ZINC000903701843 662354411 /nfs/dbraw/zinc/35/44/11/662354411.db2.gz TZNVRDHZZRPVNV-VIFPVBQESA-N -1 0 355.313 -0.749 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCN(CC(F)F)CC1 ZINC000904935987 660007955 /nfs/dbraw/zinc/00/79/55/660007955.db2.gz GMRCXACIHYBOIW-UHFFFAOYSA-N -1 0 351.350 -0.655 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000904938764 660007918 /nfs/dbraw/zinc/00/79/18/660007918.db2.gz JDKNBIUIIMWSNM-UHFFFAOYSA-N -1 0 369.340 -0.357 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCOC[C@H]2C[C@@H]2CCOC2)C1 ZINC000904939887 660007834 /nfs/dbraw/zinc/00/78/34/660007834.db2.gz AIEWSAPXBTYEFB-BFHYXJOUSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCOC[C@H]2C[C@H]2CCOC2)C1 ZINC000904939888 660007887 /nfs/dbraw/zinc/00/78/87/660007887.db2.gz AIEWSAPXBTYEFB-HZSPNIEDSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCOC[C@@H]2C[C@@H]2CCOC2)C1 ZINC000904939889 660007831 /nfs/dbraw/zinc/00/78/31/660007831.db2.gz AIEWSAPXBTYEFB-IHRRRGAJSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCOC[C@@H]2C[C@H]2CCOC2)C1 ZINC000904939890 660007808 /nfs/dbraw/zinc/00/78/08/660007808.db2.gz AIEWSAPXBTYEFB-MCIONIFRSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCOC[C@H]2C[C@@H]2CCOC2)C1 ZINC000904939891 660007890 /nfs/dbraw/zinc/00/78/90/660007890.db2.gz AIEWSAPXBTYEFB-MELADBBJSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCOC[C@H]2C[C@H]2CCOC2)C1 ZINC000904939892 660007947 /nfs/dbraw/zinc/00/79/47/660007947.db2.gz AIEWSAPXBTYEFB-MGPQQGTHSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCOC[C@@H]2C[C@@H]2CCOC2)C1 ZINC000904939893 660007852 /nfs/dbraw/zinc/00/78/52/660007852.db2.gz AIEWSAPXBTYEFB-MJBXVCDLSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCOC[C@@H]2C[C@H]2CCOC2)C1 ZINC000904939894 660007850 /nfs/dbraw/zinc/00/78/50/660007850.db2.gz AIEWSAPXBTYEFB-RDBSUJKOSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCOC[C@H]2C[C@@H]2CCOC2)CC1 ZINC000904943504 660007856 /nfs/dbraw/zinc/00/78/56/660007856.db2.gz PAIFTSNILKQUTC-GXTWGEPZSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCOC[C@@H]2C[C@@H]2CCOC2)CC1 ZINC000904943505 660008149 /nfs/dbraw/zinc/00/81/49/660008149.db2.gz PAIFTSNILKQUTC-JSGCOSHPSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCOC[C@@H]2C[C@H]2CCOC2)CC1 ZINC000904943506 660008125 /nfs/dbraw/zinc/00/81/25/660008125.db2.gz PAIFTSNILKQUTC-OCCSQVGLSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCOC[C@H]2C[C@H]2CCOC2)CC1 ZINC000904943507 660008077 /nfs/dbraw/zinc/00/80/77/660008077.db2.gz PAIFTSNILKQUTC-TZMCWYRMSA-N -1 0 354.403 -0.036 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@H](C(F)F)CC1 ZINC000904943663 660008094 /nfs/dbraw/zinc/00/80/94/660008094.db2.gz QAJYCHKVHOCWDS-JTQLQIEISA-N -1 0 352.334 -0.181 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@@H](C(F)F)CC1 ZINC000904943667 660008091 /nfs/dbraw/zinc/00/80/91/660008091.db2.gz QAJYCHKVHOCWDS-SNVBAGLBSA-N -1 0 352.334 -0.181 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000904943722 660008072 /nfs/dbraw/zinc/00/80/72/660008072.db2.gz QYKNKXZNIZILHK-AWEZNQCLSA-N -1 0 352.334 -0.181 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000904943723 660008129 /nfs/dbraw/zinc/00/81/29/660008129.db2.gz QYKNKXZNIZILHK-CQSZACIVSA-N -1 0 352.334 -0.181 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCOC[C@H]2C[C@@H]2CCOC2)C1 ZINC000904944325 660008117 /nfs/dbraw/zinc/00/81/17/660008117.db2.gz WWZGWAVEWIDDOE-AHIWAGSCSA-N -1 0 354.403 -0.036 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCOC[C@@H]2C[C@@H]2CCOC2)C1 ZINC000904944326 660008145 /nfs/dbraw/zinc/00/81/45/660008145.db2.gz WWZGWAVEWIDDOE-DCGLDWPTSA-N -1 0 354.403 -0.036 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCOC[C@@H]2C[C@H]2CCOC2)C1 ZINC000904944327 660008101 /nfs/dbraw/zinc/00/81/01/660008101.db2.gz WWZGWAVEWIDDOE-IGCXYCKISA-N -1 0 354.403 -0.036 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCOC[C@H]2C[C@H]2CCOC2)C1 ZINC000904944328 660008122 /nfs/dbraw/zinc/00/81/22/660008122.db2.gz WWZGWAVEWIDDOE-XNJGSVPQSA-N -1 0 354.403 -0.036 20 0 FBADRM C[C@]12CSC[C@H]1CN(C(=O)C(=O)N1C[C@@H]3COC[C@]3(C(=O)[O-])C1)C2 ZINC000904944577 660008107 /nfs/dbraw/zinc/00/81/07/660008107.db2.gz ZDRYHXDGIVNPRQ-NSLUBLRVSA-N -1 0 354.428 -0.243 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCOC[C@@H]2CC2CCOCC2)C1 ZINC000904947020 660008088 /nfs/dbraw/zinc/00/80/88/660008088.db2.gz JZCVVGBYUHHCLO-KBPBESRZSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCOC[C@@H]2CC2CCOCC2)C1 ZINC000904947021 660008109 /nfs/dbraw/zinc/00/81/09/660008109.db2.gz JZCVVGBYUHHCLO-KGLIPLIRSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCOC[C@H]2CC2CCOCC2)C1 ZINC000904947022 660008133 /nfs/dbraw/zinc/00/81/33/660008133.db2.gz JZCVVGBYUHHCLO-UONOGXRCSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCOC[C@H]2CC2CCOCC2)C1 ZINC000904947023 660008105 /nfs/dbraw/zinc/00/81/05/660008105.db2.gz JZCVVGBYUHHCLO-ZIAGYGMSSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]([C@H]3CCOC3)C2)CCO1 ZINC000904947204 660008111 /nfs/dbraw/zinc/00/81/11/660008111.db2.gz LBCKFZSNEQFSQI-IHRRRGAJSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]([C@@H]3CCOC3)C2)CCO1 ZINC000904947205 660008085 /nfs/dbraw/zinc/00/80/85/660008085.db2.gz LBCKFZSNEQFSQI-MCIONIFRSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]([C@@H]3CCOC3)C2)CCO1 ZINC000904947206 660008099 /nfs/dbraw/zinc/00/80/99/660008099.db2.gz LBCKFZSNEQFSQI-MJBXVCDLSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]([C@H]3CCOC3)C2)CCO1 ZINC000904947207 660008147 /nfs/dbraw/zinc/00/81/47/660008147.db2.gz LBCKFZSNEQFSQI-RDBSUJKOSA-N -1 0 354.403 -0.036 20 0 FBADRM Cn1cc([N-]S(=O)(=O)c2cnn(C)c2I)nn1 ZINC000905103301 660012951 /nfs/dbraw/zinc/01/29/51/660012951.db2.gz IGSYVDGCEKTLLY-UHFFFAOYSA-N -1 0 368.160 -0.046 20 0 FBADRM COCCn1[n-]nnc1=NC(=O)c1nn2c(c1Br)CCC2 ZINC000906290523 660020237 /nfs/dbraw/zinc/02/02/37/660020237.db2.gz LNIHFYXCHHMZBW-UHFFFAOYSA-N -1 0 356.184 -0.101 20 0 FBADRM COCCn1[n-]nnc1=NC(=O)c1ccc(I)cn1 ZINC000906294990 660020214 /nfs/dbraw/zinc/02/02/14/660020214.db2.gz UVMCCCUAPYVZEF-UHFFFAOYSA-N -1 0 374.142 -0.007 20 0 FBADRM CN(C)C(=O)CN1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2F)CC1 ZINC000906807784 660022326 /nfs/dbraw/zinc/02/23/26/660022326.db2.gz MUULYGJTIITASG-UHFFFAOYSA-N -1 0 373.406 -0.082 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CN3CCN2CC3)oc1Cl ZINC000907065358 660025400 /nfs/dbraw/zinc/02/54/00/660025400.db2.gz ILLBRWIOKPOGBT-SECBINFHSA-N -1 0 363.823 -0.002 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CN3CCN2CC3)oc1Cl ZINC000907065359 660025450 /nfs/dbraw/zinc/02/54/50/660025450.db2.gz ILLBRWIOKPOGBT-VIFPVBQESA-N -1 0 363.823 -0.002 20 0 FBADRM Cn1cc(C(=O)[N-]N2CC(=O)N(C)C2=O)c(I)n1 ZINC000907188909 660026710 /nfs/dbraw/zinc/02/67/10/660026710.db2.gz UHOWKUGZPUOUER-UHFFFAOYSA-N -1 0 363.115 -0.437 20 0 FBADRM CCn1ncn([N-]C(=O)c2cn(C)nc2I)c1=O ZINC000908369246 660036079 /nfs/dbraw/zinc/03/60/79/660036079.db2.gz LDNSOIVLAPBDJG-UHFFFAOYSA-N -1 0 362.131 -0.213 20 0 FBADRM Cn1cc(S(=O)(=O)NCCCOc2cccc(F)c2)c(=O)n(C)c1=O ZINC000908458328 660036437 /nfs/dbraw/zinc/03/64/37/660036437.db2.gz UQDOIODREHLDFZ-UHFFFAOYSA-N -1 0 371.390 -0.030 20 0 FBADRM Cn1cc(S(=O)(=O)NCCOC2CCSCC2)c(=O)n(C)c1=O ZINC000908461269 660036490 /nfs/dbraw/zinc/03/64/90/660036490.db2.gz MSBXTMOYSMDCJY-UHFFFAOYSA-N -1 0 363.461 -0.726 20 0 FBADRM O=C([O-])C12CC(C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)(C1)C2 ZINC000908708634 660037107 /nfs/dbraw/zinc/03/71/07/660037107.db2.gz YUKADYWAEQVFRN-UHFFFAOYSA-N -1 0 351.403 -0.756 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)NCCN1CCSCC1 ZINC000908836297 660037254 /nfs/dbraw/zinc/03/72/54/660037254.db2.gz DRHLBHZIYZAKDR-UHFFFAOYSA-N -1 0 360.480 -0.536 20 0 FBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000908895287 660037396 /nfs/dbraw/zinc/03/73/96/660037396.db2.gz GQSMVHGJYZBENZ-CYBMUJFWSA-N -1 0 355.416 -0.237 20 0 FBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000908895288 660037353 /nfs/dbraw/zinc/03/73/53/660037353.db2.gz GQSMVHGJYZBENZ-ZDUSSCGKSA-N -1 0 355.416 -0.237 20 0 FBADRM CN(CCNC(=O)N(CCN1CCOCC1)CC(=O)[O-])CC(F)(F)F ZINC000908925458 660037737 /nfs/dbraw/zinc/03/77/37/660037737.db2.gz OXENLLHFUWVEJZ-UHFFFAOYSA-N -1 0 370.372 -0.091 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)NC[C@H](N1CCOCC1)C(F)(F)F ZINC000908983756 660037719 /nfs/dbraw/zinc/03/77/19/660037719.db2.gz NNKDXCZIQZBQKD-JTQLQIEISA-N -1 0 357.329 -0.008 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000908983757 660037735 /nfs/dbraw/zinc/03/77/35/660037735.db2.gz NNKDXCZIQZBQKD-SNVBAGLBSA-N -1 0 357.329 -0.008 20 0 FBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000909036228 660037688 /nfs/dbraw/zinc/03/76/88/660037688.db2.gz SSCZKCSBTFNWBS-AWEZNQCLSA-N -1 0 355.416 -0.065 20 0 FBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000909036230 660037900 /nfs/dbraw/zinc/03/79/00/660037900.db2.gz SSCZKCSBTFNWBS-CQSZACIVSA-N -1 0 355.416 -0.065 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC1 ZINC000909396206 658817408 /nfs/dbraw/zinc/81/74/08/658817408.db2.gz BFVVGVZEQLZUJB-UHFFFAOYSA-N -1 0 359.448 -0.028 20 0 FBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000909427766 658997647 /nfs/dbraw/zinc/99/76/47/658997647.db2.gz XYWSGYHVACPZBU-CYBMUJFWSA-N -1 0 355.416 -0.065 20 0 FBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000909427774 658997804 /nfs/dbraw/zinc/99/78/04/658997804.db2.gz XYWSGYHVACPZBU-ZDUSSCGKSA-N -1 0 355.416 -0.065 20 0 FBADRM CN(C)S(=O)(=O)N(C)CC(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000909516488 659028456 /nfs/dbraw/zinc/02/84/56/659028456.db2.gz XPJQXHIIWUWJDJ-UHFFFAOYSA-N -1 0 357.432 -0.120 20 0 FBADRM CN(C)S(=O)(=O)N(C)CC(=O)N(C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000909641584 659887847 /nfs/dbraw/zinc/88/78/47/659887847.db2.gz BGYGYMDOUONYKQ-CYBMUJFWSA-N -1 0 357.432 -0.121 20 0 FBADRM CN(C)S(=O)(=O)N(C)CC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000909641585 659887789 /nfs/dbraw/zinc/88/77/89/659887789.db2.gz BGYGYMDOUONYKQ-ZDUSSCGKSA-N -1 0 357.432 -0.121 20 0 FBADRM CN(C)S(=O)(=O)N(C)CC(=O)N(CC(=O)[O-])Cc1ccc(F)cc1 ZINC000909734187 660038726 /nfs/dbraw/zinc/03/87/26/660038726.db2.gz DAYPVEYFHJFKLN-UHFFFAOYSA-N -1 0 361.395 -0.023 20 0 FBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000909767306 660038705 /nfs/dbraw/zinc/03/87/05/660038705.db2.gz LLNQGBWWGLSTBO-JTQLQIEISA-N -1 0 361.342 -0.410 20 0 FBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000909767308 660038708 /nfs/dbraw/zinc/03/87/08/660038708.db2.gz LLNQGBWWGLSTBO-SNVBAGLBSA-N -1 0 361.342 -0.410 20 0 FBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000909857854 660038692 /nfs/dbraw/zinc/03/86/92/660038692.db2.gz OHTPMDWVEYVXNF-INIZCTEOSA-N -1 0 369.443 -0.021 20 0 FBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000909857856 660038892 /nfs/dbraw/zinc/03/88/92/660038892.db2.gz OHTPMDWVEYVXNF-MRXNPFEDSA-N -1 0 369.443 -0.021 20 0 FBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CC2(CCC2)[C@](F)(C(=O)[O-])C1 ZINC000909937346 660038934 /nfs/dbraw/zinc/03/89/34/660038934.db2.gz ZYORYBDCQHWQMZ-CYBMUJFWSA-N -1 0 351.400 -0.470 20 0 FBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1CC2(CCC2)[C@@](F)(C(=O)[O-])C1 ZINC000909937347 660039013 /nfs/dbraw/zinc/03/90/13/660039013.db2.gz ZYORYBDCQHWQMZ-ZDUSSCGKSA-N -1 0 351.400 -0.470 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1 ZINC000909962596 660039196 /nfs/dbraw/zinc/03/91/96/660039196.db2.gz PJQRJAWHWPKMHI-UHFFFAOYSA-N -1 0 359.448 -0.028 20 0 FBADRM CN(C)S(=O)(=O)N1CCCN(C(=O)CCSCC(=O)[O-])CC1 ZINC000910253035 660039604 /nfs/dbraw/zinc/03/96/04/660039604.db2.gz ZHQZXDJMWLDJHL-UHFFFAOYSA-N -1 0 353.466 -0.465 20 0 FBADRM O=C([O-])[C@@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 ZINC000910277707 660039579 /nfs/dbraw/zinc/03/95/79/660039579.db2.gz FEKAZZGDFGZUNX-AWEZNQCLSA-N -1 0 356.400 -0.003 20 0 FBADRM O=C([O-])[C@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 ZINC000910277708 660039569 /nfs/dbraw/zinc/03/95/69/660039569.db2.gz FEKAZZGDFGZUNX-CQSZACIVSA-N -1 0 356.400 -0.003 20 0 FBADRM CN(C)S(=O)(=O)N(C)CC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000910393631 660039874 /nfs/dbraw/zinc/03/98/74/660039874.db2.gz ZVXBQPCCSOMLQH-YUMQZZPRSA-N -1 0 361.342 -0.554 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)NC[C@H]1CSCCS1 ZINC000910490455 660040111 /nfs/dbraw/zinc/04/01/11/660040111.db2.gz UUZUBKFBQNYCHQ-JTQLQIEISA-N -1 0 350.462 -0.099 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)NC[C@@H]1CSCCS1 ZINC000910490458 660040147 /nfs/dbraw/zinc/04/01/47/660040147.db2.gz UUZUBKFBQNYCHQ-SNVBAGLBSA-N -1 0 350.462 -0.099 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000910493317 660040083 /nfs/dbraw/zinc/04/00/83/660040083.db2.gz BELMHMHWEHHONT-CHWSQXEVSA-N -1 0 373.475 -0.368 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000910493327 660040098 /nfs/dbraw/zinc/04/00/98/660040098.db2.gz BELMHMHWEHHONT-OLZOCXBDSA-N -1 0 373.475 -0.368 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC000910493330 660040135 /nfs/dbraw/zinc/04/01/35/660040135.db2.gz BELMHMHWEHHONT-QWHCGFSZSA-N -1 0 373.475 -0.368 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000910493332 660039976 /nfs/dbraw/zinc/03/99/76/660039976.db2.gz BELMHMHWEHHONT-STQMWFEESA-N -1 0 373.475 -0.368 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCCOCC(=O)[O-])C[C@H](C)N1CC(F)(F)F ZINC000910496320 660040115 /nfs/dbraw/zinc/04/01/15/660040115.db2.gz RSCKUICBDZUZLW-AOOOYVTPSA-N -1 0 369.340 -0.313 20 0 FBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CC2(C1)CS(=O)(=O)C2 ZINC000910689830 660045569 /nfs/dbraw/zinc/04/55/69/660045569.db2.gz VRYANWDZNGYTPN-UHFFFAOYSA-N -1 0 365.436 -0.058 20 0 FBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N[C@H](C)CN2CCOCC2)C1 ZINC000911170868 660064743 /nfs/dbraw/zinc/06/47/43/660064743.db2.gz YLWGFFUIHDEWNQ-CXAGYDPISA-N -1 0 355.435 -0.073 20 0 FBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N[C@H](C)CN2CCOCC2)C1 ZINC000911170869 660064614 /nfs/dbraw/zinc/06/46/14/660064614.db2.gz YLWGFFUIHDEWNQ-DYVFJYSZSA-N -1 0 355.435 -0.073 20 0 FBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N[C@@H](C)CN2CCOCC2)C1 ZINC000911170870 660064642 /nfs/dbraw/zinc/06/46/42/660064642.db2.gz YLWGFFUIHDEWNQ-GUYCJALGSA-N -1 0 355.435 -0.073 20 0 FBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N[C@@H](C)CN2CCOCC2)C1 ZINC000911170871 660064734 /nfs/dbraw/zinc/06/47/34/660064734.db2.gz YLWGFFUIHDEWNQ-SUMWQHHRSA-N -1 0 355.435 -0.073 20 0 FBADRM O=C([O-])c1ccc(N2CCN(C(=O)CN3CSCC3=O)CC2)nc1 ZINC000911181680 660064969 /nfs/dbraw/zinc/06/49/69/660064969.db2.gz WFRSQGJGLJWLNB-UHFFFAOYSA-N -1 0 350.400 -0.039 20 0 FBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)NCCCN2CCOCC2)C1 ZINC000911246541 660066053 /nfs/dbraw/zinc/06/60/53/660066053.db2.gz HGRBDUNTEVITSU-KRWDZBQOSA-N -1 0 355.435 -0.072 20 0 FBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)NCCCN2CCOCC2)C1 ZINC000911246542 660066065 /nfs/dbraw/zinc/06/60/65/660066065.db2.gz HGRBDUNTEVITSU-QGZVFWFLSA-N -1 0 355.435 -0.072 20 0 FBADRM COc1cccc([C@H](O)C(=O)N(CCN2CCOCC2)CC(=O)[O-])c1 ZINC000911365845 660072345 /nfs/dbraw/zinc/07/23/45/660072345.db2.gz OMIVXHZZPVUWCY-INIZCTEOSA-N -1 0 352.387 -0.026 20 0 FBADRM COc1cccc([C@@H](O)C(=O)N(CCN2CCOCC2)CC(=O)[O-])c1 ZINC000911365846 660072305 /nfs/dbraw/zinc/07/23/05/660072305.db2.gz OMIVXHZZPVUWCY-MRXNPFEDSA-N -1 0 352.387 -0.026 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000911366748 660072219 /nfs/dbraw/zinc/07/22/19/660072219.db2.gz YAWXETUZUGJZIR-NEPJUHHUSA-N -1 0 370.324 -0.422 20 0 FBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1cn(C)nc1I ZINC000911446059 660075920 /nfs/dbraw/zinc/07/59/20/660075920.db2.gz AKTUWSUYQCTFOE-UHFFFAOYSA-N -1 0 363.115 -0.027 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC(N3CCOCC3)C2)c1 ZINC000911645322 660080373 /nfs/dbraw/zinc/08/03/73/660080373.db2.gz XJEKLXXJBOHZJF-UHFFFAOYSA-N -1 0 369.443 -0.201 20 0 FBADRM CN(CC(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1)S(C)(=O)=O ZINC000911760561 660081287 /nfs/dbraw/zinc/08/12/87/660081287.db2.gz DFLPLOMLOMCFGV-UHFFFAOYSA-N -1 0 361.445 -0.014 20 0 FBADRM CN(C)S(=O)(=O)CC(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC000911766705 660081313 /nfs/dbraw/zinc/08/13/13/660081313.db2.gz AHCOFSJUZKWWKW-UHFFFAOYSA-N -1 0 361.445 -0.014 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1cn(C)nc1I ZINC000911898245 660082355 /nfs/dbraw/zinc/08/23/55/660082355.db2.gz KXQQDEVEZLGGSE-UHFFFAOYSA-N -1 0 352.132 -0.178 20 0 FBADRM CS(=O)(=O)CC1(NC(=O)CSc2n[n-]c(=S)s2)COC1 ZINC000912258086 660085067 /nfs/dbraw/zinc/08/50/67/660085067.db2.gz GPWFUGZKEBHSJV-UHFFFAOYSA-N -1 0 355.488 -0.151 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NC2(CS(C)(=O)=O)COC2)c1 ZINC000912260216 660085086 /nfs/dbraw/zinc/08/50/86/660085086.db2.gz JRZKJAMNAQICNX-JOCHJYFZSA-N -1 0 361.441 -0.267 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NC2(CS(C)(=O)=O)COC2)c1 ZINC000912260217 660084968 /nfs/dbraw/zinc/08/49/68/660084968.db2.gz JRZKJAMNAQICNX-QFIPXVFZSA-N -1 0 361.441 -0.267 20 0 FBADRM COC(OC)C(=O)N1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1 ZINC000912355331 660085439 /nfs/dbraw/zinc/08/54/39/660085439.db2.gz YLSSPVWTVGVZBA-UHFFFAOYSA-N -1 0 369.340 -0.267 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1 ZINC000912520549 660087084 /nfs/dbraw/zinc/08/70/84/660087084.db2.gz BKVCZTUFOIQHOH-UHFFFAOYSA-N -1 0 360.373 -0.356 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(C)c(S(N)(=O)=O)c1 ZINC000912521127 660087230 /nfs/dbraw/zinc/08/72/30/660087230.db2.gz ILGKEIQIGYLWIH-UHFFFAOYSA-N -1 0 374.400 -0.047 20 0 FBADRM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)OC)cc1 ZINC000912521801 660087179 /nfs/dbraw/zinc/08/71/79/660087179.db2.gz PEGVAMMBHYYGJX-UHFFFAOYSA-N -1 0 374.400 -0.095 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cccc(S(N)(=O)=O)c1 ZINC000912522911 660087010 /nfs/dbraw/zinc/08/70/10/660087010.db2.gz YBNNHPOWHYYXKG-UHFFFAOYSA-N -1 0 360.373 -0.356 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cccc(OCC(N)=O)c1 ZINC000912523020 660087205 /nfs/dbraw/zinc/08/72/05/660087205.db2.gz DBYQOVJTYJLQID-UHFFFAOYSA-N -1 0 354.344 -0.139 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(S(C)(=O)=O)nc1 ZINC000912523030 660087170 /nfs/dbraw/zinc/08/71/70/660087170.db2.gz DPJJCEVPFGKKEW-UHFFFAOYSA-N -1 0 360.373 -0.204 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(CS(N)(=O)=O)cc1 ZINC000912523510 660087415 /nfs/dbraw/zinc/08/74/15/660087415.db2.gz FXSRQDAFABLHDS-UHFFFAOYSA-N -1 0 374.400 -0.214 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc(S(N)(=O)=O)ccc1C ZINC000912524342 660087345 /nfs/dbraw/zinc/08/73/45/660087345.db2.gz POXKPOBWUFRPQQ-UHFFFAOYSA-N -1 0 374.400 -0.047 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cccc(CS(N)(=O)=O)c1 ZINC000912524394 660087361 /nfs/dbraw/zinc/08/73/61/660087361.db2.gz SEKJTULUOLCCGX-UHFFFAOYSA-N -1 0 374.400 -0.214 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(OCC(N)=O)cc1 ZINC000912524761 660087367 /nfs/dbraw/zinc/08/73/67/660087367.db2.gz WLQLAWIFAWRCCD-UHFFFAOYSA-N -1 0 354.344 -0.139 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc2n[nH]c(C(N)=O)c2c1 ZINC000912525489 660087439 /nfs/dbraw/zinc/08/74/39/660087439.db2.gz AMIOOICTGHTTII-UHFFFAOYSA-N -1 0 364.343 -0.028 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cccc(NC(=O)CO)c1 ZINC000912526067 660087372 /nfs/dbraw/zinc/08/73/72/660087372.db2.gz FIPYXWIJRXGIHE-UHFFFAOYSA-N -1 0 354.344 -0.072 20 0 FBADRM COC(=O)c1cn[n-]c1S(=O)(=O)Oc1cccc(-n2cnnn2)c1 ZINC000912527253 660087572 /nfs/dbraw/zinc/08/75/72/660087572.db2.gz BXHLNCJOOJXOCV-UHFFFAOYSA-N -1 0 350.316 -0.060 20 0 FBADRM COC(=O)c1cn[n-]c1S(=O)(=O)Oc1ccc(-n2cnnn2)cc1 ZINC000912527917 660087645 /nfs/dbraw/zinc/08/76/45/660087645.db2.gz JJLWRFMQANJGAT-UHFFFAOYSA-N -1 0 350.316 -0.060 20 0 FBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cn(C)nc1C(N)=O ZINC000912530918 660087614 /nfs/dbraw/zinc/08/76/14/660087614.db2.gz JSIMGYBQYMCCLA-UHFFFAOYSA-N -1 0 356.364 -0.472 20 0 FBADRM CCn1cc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)OC)c(C(N)=O)n1 ZINC000912532069 660087837 /nfs/dbraw/zinc/08/78/37/660087837.db2.gz SGPMIGAMHUEJIK-UHFFFAOYSA-N -1 0 356.364 -0.379 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]N1C(=O)NC2(CCCCC2)C1=O ZINC000912549883 660088344 /nfs/dbraw/zinc/08/83/44/660088344.db2.gz IOPHJKHEGXOVME-UHFFFAOYSA-N -1 0 371.375 -0.356 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000912551662 660088529 /nfs/dbraw/zinc/08/85/29/660088529.db2.gz BUWSBQCIDQYSTQ-SSDOTTSWSA-N -1 0 356.364 -0.412 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000912551663 660088601 /nfs/dbraw/zinc/08/86/01/660088601.db2.gz BUWSBQCIDQYSTQ-ZETCQYMHSA-N -1 0 356.364 -0.412 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000912554353 660088870 /nfs/dbraw/zinc/08/88/70/660088870.db2.gz YBMXEJLZWOGIPY-UHFFFAOYSA-N -1 0 356.364 -0.412 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H](n1cncn1)C(F)(F)F ZINC000912554820 660088804 /nfs/dbraw/zinc/08/88/04/660088804.db2.gz YHRGDHBVSKUJNR-SSDOTTSWSA-N -1 0 368.297 -0.130 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H](n1cncn1)C(F)(F)F ZINC000912554821 660088897 /nfs/dbraw/zinc/08/88/97/660088897.db2.gz YHRGDHBVSKUJNR-ZETCQYMHSA-N -1 0 368.297 -0.130 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1c(OC)ncnc1N(C)C ZINC000912557624 660089341 /nfs/dbraw/zinc/08/93/41/660089341.db2.gz FHKAESHNLHOXSD-UHFFFAOYSA-N -1 0 356.364 -0.138 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)NCCc1cccc(C(=O)[O-])n1 ZINC000912557829 660089269 /nfs/dbraw/zinc/08/92/69/660089269.db2.gz GXEYSELUNGSCRE-UHFFFAOYSA-N -1 0 354.344 -0.190 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@H]([C@@H]2CCCO2)[C@@H]1C(=O)[O-] ZINC000912557913 660089331 /nfs/dbraw/zinc/08/93/31/660089331.db2.gz ISEVMRHIOHUAQP-DVVUODLYSA-N -1 0 373.387 -0.161 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@H]([C@H]2CCCO2)[C@@H]1C(=O)[O-] ZINC000912557914 660089325 /nfs/dbraw/zinc/08/93/25/660089325.db2.gz ISEVMRHIOHUAQP-FBIMIBRVSA-N -1 0 373.387 -0.161 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@H]([C@H]2CCCO2)[C@H]1C(=O)[O-] ZINC000912557915 660089299 /nfs/dbraw/zinc/08/92/99/660089299.db2.gz ISEVMRHIOHUAQP-IEBDPFPHSA-N -1 0 373.387 -0.161 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@H]([C@@H]2CCCO2)[C@H]1C(=O)[O-] ZINC000912557916 660089276 /nfs/dbraw/zinc/08/92/76/660089276.db2.gz ISEVMRHIOHUAQP-MIMYLULJSA-N -1 0 373.387 -0.161 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C(F)(F)C1 ZINC000912558181 660089304 /nfs/dbraw/zinc/08/93/04/660089304.db2.gz LKBIQOWEFDFLTG-SSDOTTSWSA-N -1 0 353.303 -0.073 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C(F)(F)C1 ZINC000912558182 660089318 /nfs/dbraw/zinc/08/93/18/660089318.db2.gz LKBIQOWEFDFLTG-ZETCQYMHSA-N -1 0 353.303 -0.073 20 0 FBADRM CCOC(=O)c1cn(C)nc1[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC ZINC000912558348 660089300 /nfs/dbraw/zinc/08/93/00/660089300.db2.gz KWSRKTBEMGITCF-UHFFFAOYSA-N -1 0 357.348 -0.093 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C(=O)[O-] ZINC000912558868 660089339 /nfs/dbraw/zinc/08/93/39/660089339.db2.gz QUIIJKXXZVMXRP-HKPALBBZSA-N -1 0 361.376 -0.244 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1C[C@H](C)O[C@H](C)[C@H]1C(=O)[O-] ZINC000912558869 660089298 /nfs/dbraw/zinc/08/92/98/660089298.db2.gz QUIIJKXXZVMXRP-IONOHQLYSA-N -1 0 361.376 -0.244 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C(=O)[O-] ZINC000912558870 660089293 /nfs/dbraw/zinc/08/92/93/660089293.db2.gz QUIIJKXXZVMXRP-KADJCCMJSA-N -1 0 361.376 -0.244 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C(=O)[O-] ZINC000912558871 660089344 /nfs/dbraw/zinc/08/93/44/660089344.db2.gz QUIIJKXXZVMXRP-SKWCMTHISA-N -1 0 361.376 -0.244 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC000912558918 660089336 /nfs/dbraw/zinc/08/93/36/660089336.db2.gz SDPIAJNGVFPIJG-ZCFIWIBFSA-N -1 0 353.303 -0.012 20 0 FBADRM CNS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC ZINC000912559182 660089322 /nfs/dbraw/zinc/08/93/22/660089322.db2.gz ZRIDAUFLWPSGHE-UHFFFAOYSA-N -1 0 374.400 -0.095 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](Cc1ccncn1)C(=O)[O-] ZINC000912559272 660089312 /nfs/dbraw/zinc/08/93/12/660089312.db2.gz XVADLPQCUJRCNQ-JTQLQIEISA-N -1 0 369.359 -0.649 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](Cc1ccncn1)C(=O)[O-] ZINC000912559273 660089245 /nfs/dbraw/zinc/08/92/45/660089245.db2.gz XVADLPQCUJRCNQ-SNVBAGLBSA-N -1 0 369.359 -0.649 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000912559354 660089308 /nfs/dbraw/zinc/08/93/08/660089308.db2.gz ZFXXVLZXKUZFIW-BDAKNGLRSA-N -1 0 361.376 -0.337 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000912559356 660089296 /nfs/dbraw/zinc/08/92/96/660089296.db2.gz ZFXXVLZXKUZFIW-DTWKUNHWSA-N -1 0 361.376 -0.337 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000912559358 660089273 /nfs/dbraw/zinc/08/92/73/660089273.db2.gz ZFXXVLZXKUZFIW-IUCAKERBSA-N -1 0 361.376 -0.337 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000912559360 660089285 /nfs/dbraw/zinc/08/92/85/660089285.db2.gz ZFXXVLZXKUZFIW-RKDXNWHRSA-N -1 0 361.376 -0.337 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)NC[C@@H](Cc1ccccn1)C(=O)[O-] ZINC000912559421 660089327 /nfs/dbraw/zinc/08/93/27/660089327.db2.gz ZTXQNMURSRUMFU-SECBINFHSA-N -1 0 368.371 -0.187 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)NC[C@H](Cc1ccccn1)C(=O)[O-] ZINC000912559423 660089260 /nfs/dbraw/zinc/08/92/60/660089260.db2.gz ZTXQNMURSRUMFU-VIFPVBQESA-N -1 0 368.371 -0.187 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1S(N)(=O)=O ZINC000912559836 660089267 /nfs/dbraw/zinc/08/92/67/660089267.db2.gz CSMSQUZGBXRTQD-UHFFFAOYSA-N -1 0 360.373 -0.356 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ncnn1-c1ccncc1 ZINC000912559858 660089255 /nfs/dbraw/zinc/08/92/55/660089255.db2.gz DXJAUOVNBOTSJP-UHFFFAOYSA-N -1 0 363.359 -0.297 20 0 FBADRM CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC ZINC000912560024 660089320 /nfs/dbraw/zinc/08/93/20/660089320.db2.gz GFHOHBSNTHNGBP-UHFFFAOYSA-N -1 0 357.348 -0.093 20 0 FBADRM CCOC(=O)c1cnc([N-]S(=O)(=O)c2n[nH]cc2C(=O)OC)n1C ZINC000912560610 660088429 /nfs/dbraw/zinc/08/84/29/660088429.db2.gz RWFJNSMIZWIGBH-UHFFFAOYSA-N -1 0 357.348 -0.093 20 0 FBADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ncnn1-c1ccncc1 ZINC000912560830 660088391 /nfs/dbraw/zinc/08/83/91/660088391.db2.gz YOYWUMNNTAYZSJ-UHFFFAOYSA-N -1 0 363.359 -0.215 20 0 FBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(C(=O)NC)nn1 ZINC000912562289 660088284 /nfs/dbraw/zinc/08/82/84/660088284.db2.gz CWXIRYDBSYRHDN-UHFFFAOYSA-N -1 0 368.375 -0.155 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1[nH]nc2cc(C)n(C)c(=O)c21 ZINC000912562606 660088267 /nfs/dbraw/zinc/08/82/67/660088267.db2.gz LHZBFIZLKXWZCJ-UHFFFAOYSA-N -1 0 366.359 -0.119 20 0 FBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1nn[nH]c1C(=O)NC ZINC000912562611 660088350 /nfs/dbraw/zinc/08/83/50/660088350.db2.gz LPGQNVYVQSZXCJ-UHFFFAOYSA-N -1 0 357.352 -0.827 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccnc(S(C)(=O)=O)c1 ZINC000912563401 660088307 /nfs/dbraw/zinc/08/83/07/660088307.db2.gz YLOWXCLOVXYZIC-UHFFFAOYSA-N -1 0 360.373 -0.204 20 0 FBADRM CN1CCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)[C@H](CO)C1 ZINC000912749690 660091344 /nfs/dbraw/zinc/09/13/44/660091344.db2.gz IKPNFQOVFMHJEV-JTQLQIEISA-N -1 0 363.386 -0.622 20 0 FBADRM CN1CCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)[C@@H](CO)C1 ZINC000912749691 660091199 /nfs/dbraw/zinc/09/11/99/660091199.db2.gz IKPNFQOVFMHJEV-SNVBAGLBSA-N -1 0 363.386 -0.622 20 0 FBADRM CN(C(=O)Cn1c(=O)c2ccccc2[n-]c1=S)C1CS(=O)(=O)C1 ZINC000913145006 660095478 /nfs/dbraw/zinc/09/54/78/660095478.db2.gz YTDCTGAJBMAWLO-UHFFFAOYSA-N -1 0 353.425 -0.059 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCC12COCCN1CCOC2 ZINC000913297824 660096955 /nfs/dbraw/zinc/09/69/55/660096955.db2.gz AHDKLUPBMFKTFS-NSHDSACASA-N -1 0 367.368 -0.093 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCC12COCCN1CCOC2 ZINC000913297859 660096946 /nfs/dbraw/zinc/09/69/46/660096946.db2.gz BSZMTJXJQQNRIZ-UHFFFAOYSA-N -1 0 353.341 -0.339 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NCC12COCCN1CCOC2 ZINC000913310204 660097561 /nfs/dbraw/zinc/09/75/61/660097561.db2.gz PCENVFUWYBXDJF-UHFFFAOYSA-N -1 0 369.443 -0.111 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NCCCNS(C)(=O)=O)cc2[n-]c1=S ZINC000913496516 660098786 /nfs/dbraw/zinc/09/87/86/660098786.db2.gz LYQHPJPZLKIRAY-UHFFFAOYSA-N -1 0 370.456 -0.109 20 0 FBADRM CN1CCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C[C@H]1CO ZINC000913554936 660106181 /nfs/dbraw/zinc/10/61/81/660106181.db2.gz QDSINYWXWJUTEW-JTQLQIEISA-N -1 0 363.386 -0.622 20 0 FBADRM CN1CCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C[C@@H]1CO ZINC000913554937 660106131 /nfs/dbraw/zinc/10/61/31/660106131.db2.gz QDSINYWXWJUTEW-SNVBAGLBSA-N -1 0 363.386 -0.622 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C2CN(S(C)(=O)=O)C2)C1 ZINC000913779982 660120638 /nfs/dbraw/zinc/12/06/38/660120638.db2.gz NTVZOYOJJPKJDD-LLVKDONJSA-N -1 0 357.354 -0.453 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C2CN(S(C)(=O)=O)C2)C1 ZINC000913779983 660120762 /nfs/dbraw/zinc/12/07/62/660120762.db2.gz NTVZOYOJJPKJDD-NSHDSACASA-N -1 0 357.354 -0.453 20 0 FBADRM CO[N-]C(=O)CNC(=O)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000914114421 660126515 /nfs/dbraw/zinc/12/65/15/660126515.db2.gz WWGKUUVTFGDINE-UHFFFAOYSA-N -1 0 353.398 -0.076 20 0 FBADRM O=C([O-])CCN(C1CC1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000914688887 660140714 /nfs/dbraw/zinc/14/07/14/660140714.db2.gz JYAQBHQNJAKEOY-UHFFFAOYSA-N -1 0 353.356 -0.156 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCC(C(=O)NCCO)CC2)cc1 ZINC000914715873 660140892 /nfs/dbraw/zinc/14/08/92/660140892.db2.gz KVKDNJLKXOURJB-UHFFFAOYSA-N -1 0 356.400 -0.106 20 0 FBADRM NS(=O)(=O)c1ccc(=NNS(=O)(=O)c2ccc(C(=O)[O-])cc2)[nH]c1 ZINC000914746880 660141121 /nfs/dbraw/zinc/14/11/21/660141121.db2.gz HDDHBPRDLUREQK-UHFFFAOYSA-N -1 0 372.384 -0.267 20 0 FBADRM CN(C)C(=O)CNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000914791918 660141494 /nfs/dbraw/zinc/14/14/94/660141494.db2.gz ZIHIFSDYDYUARI-JTQLQIEISA-N -1 0 369.399 -0.509 20 0 FBADRM CN(C)C(=O)CNS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000914791925 660141502 /nfs/dbraw/zinc/14/15/02/660141502.db2.gz ZIHIFSDYDYUARI-SNVBAGLBSA-N -1 0 369.399 -0.509 20 0 FBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)NCCS(=O)(=O)NC2CC2)c1 ZINC000914792347 660141486 /nfs/dbraw/zinc/14/14/86/660141486.db2.gz CUAAANZMDYCRJK-UHFFFAOYSA-N -1 0 366.392 -0.116 20 0 FBADRM O=C([O-])c1csc(S(=O)(=O)NCCS(=O)(=O)NC2CC2)c1 ZINC000914792816 660141477 /nfs/dbraw/zinc/14/14/77/660141477.db2.gz TWVBXVCFHKKARK-UHFFFAOYSA-N -1 0 354.431 -0.194 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NCCS(=O)(=O)NC2CC2)ccc1O ZINC000914793024 660141498 /nfs/dbraw/zinc/14/14/98/660141498.db2.gz VRIWNNUSXCWJFT-UHFFFAOYSA-N -1 0 364.401 -0.550 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1)C(N)=O ZINC000914793107 660141507 /nfs/dbraw/zinc/14/15/07/660141507.db2.gz XLMCNVYQBKKXNB-BDAKNGLRSA-N -1 0 355.372 -0.724 20 0 FBADRM C[C@@H](NS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1)C(N)=O ZINC000914793108 660141495 /nfs/dbraw/zinc/14/14/95/660141495.db2.gz XLMCNVYQBKKXNB-RKDXNWHRSA-N -1 0 355.372 -0.724 20 0 FBADRM COC(=O)C(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000914793394 660141513 /nfs/dbraw/zinc/14/15/13/660141513.db2.gz PCENETPVVJVPLJ-UHFFFAOYSA-N -1 0 358.372 -0.269 20 0 FBADRM NS(=O)(=O)N1CCC(C(=O)OCC(=O)[N-]OCc2ccccc2)CC1 ZINC000914899151 660142815 /nfs/dbraw/zinc/14/28/15/660142815.db2.gz YIRDIBBMNGQMKJ-UHFFFAOYSA-N -1 0 371.415 -0.307 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000915007927 660144980 /nfs/dbraw/zinc/14/49/80/660144980.db2.gz OFLAPDXBYLYHLQ-UHFFFAOYSA-N -1 0 373.362 -0.688 20 0 FBADRM COC(=O)CNC(=O)COC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000915008642 660144772 /nfs/dbraw/zinc/14/47/72/660144772.db2.gz ZXADATUZPVSWFM-UHFFFAOYSA-N -1 0 362.335 -0.357 20 0 FBADRM CN(CCO)C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000915149064 660146900 /nfs/dbraw/zinc/14/69/00/660146900.db2.gz ANDHMOATTFXUBP-UHFFFAOYSA-N -1 0 360.388 -0.171 20 0 FBADRM C[C@@H](O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000915149089 660146890 /nfs/dbraw/zinc/14/68/90/660146890.db2.gz CDABUCRTZIALAP-SECBINFHSA-N -1 0 360.388 -0.125 20 0 FBADRM C[C@H](O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000915149090 660146891 /nfs/dbraw/zinc/14/68/91/660146891.db2.gz CDABUCRTZIALAP-VIFPVBQESA-N -1 0 360.388 -0.125 20 0 FBADRM C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000915149365 660146828 /nfs/dbraw/zinc/14/68/28/660146828.db2.gz UUXOHEHXSLIAKX-SECBINFHSA-N -1 0 360.388 -0.125 20 0 FBADRM C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000915149367 660146898 /nfs/dbraw/zinc/14/68/98/660146898.db2.gz UUXOHEHXSLIAKX-VIFPVBQESA-N -1 0 360.388 -0.125 20 0 FBADRM CCN(CCO)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000915149468 660146885 /nfs/dbraw/zinc/14/68/85/660146885.db2.gz YTQDFKLIYOSEDY-JTQLQIEISA-N -1 0 360.388 -0.028 20 0 FBADRM CCN(CCO)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000915149469 660146853 /nfs/dbraw/zinc/14/68/53/660146853.db2.gz YTQDFKLIYOSEDY-SNVBAGLBSA-N -1 0 360.388 -0.028 20 0 FBADRM CN(CCCNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)S(C)(=O)=O ZINC000915222704 660147203 /nfs/dbraw/zinc/14/72/03/660147203.db2.gz UEBINLRMCBNYEG-UHFFFAOYSA-N -1 0 366.417 -0.350 20 0 FBADRM CCN(CC(=O)NC)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000915222799 660147205 /nfs/dbraw/zinc/14/72/05/660147205.db2.gz AAPLCTWFORQWBU-UHFFFAOYSA-N -1 0 357.388 -0.742 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)[C@@H]2COC[C@H]2O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000915662513 660159378 /nfs/dbraw/zinc/15/93/78/660159378.db2.gz KAMJANOVXDNDOM-DAWVFNFOSA-N -1 0 374.381 -0.147 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000915818050 660161614 /nfs/dbraw/zinc/16/16/14/660161614.db2.gz YHBVMXSIRGYTOG-TWGQIWQCSA-N -1 0 363.395 -0.089 20 0 FBADRM Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)c2cccs2)c(=O)n(C)c1=O ZINC000915819214 660161650 /nfs/dbraw/zinc/16/16/50/660161650.db2.gz VPYRHDKWTUPGTR-WAYWQWQTSA-N -1 0 355.397 -0.336 20 0 FBADRM Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)c(=O)n(C)c1=O ZINC000915819839 660161946 /nfs/dbraw/zinc/16/19/46/660161946.db2.gz WKVUHRGEPGRSMT-BAQGIRSFSA-N -1 0 367.358 -0.259 20 0 FBADRM Cc1ccccc1S(=O)(=O)[N-]C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000915820075 660161629 /nfs/dbraw/zinc/16/16/29/660161629.db2.gz SPCAGDOFLYTOCC-HJWRWDBZSA-N -1 0 363.395 -0.089 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)s1 ZINC000916181353 660179774 /nfs/dbraw/zinc/17/97/74/660179774.db2.gz GITDWYJYAKKTKH-WAYWQWQTSA-N -1 0 369.424 -0.028 20 0 FBADRM CCCCS(=O)(=O)[N-]C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000916185251 660179954 /nfs/dbraw/zinc/17/99/54/660179954.db2.gz FWBFEJGBSCZQBL-UHFFFAOYSA-N -1 0 354.388 -0.508 20 0 FBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000916185666 660179745 /nfs/dbraw/zinc/17/97/45/660179745.db2.gz NNHMOUPWFJRVNT-MRVPVSSYSA-N -1 0 358.420 -0.520 20 0 FBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000916185667 660179766 /nfs/dbraw/zinc/17/97/66/660179766.db2.gz NNHMOUPWFJRVNT-QMMMGPOBSA-N -1 0 358.420 -0.520 20 0 FBADRM Cc1cc(C)n(CCC(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)n1 ZINC000916185673 660179767 /nfs/dbraw/zinc/17/97/67/660179767.db2.gz OBCQGOJCOVYFOQ-UHFFFAOYSA-N -1 0 353.404 -0.167 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2n[nH]c3c2CCCC3)cc1C(N)=O ZINC000916188951 660179974 /nfs/dbraw/zinc/17/99/74/660179974.db2.gz KDCHHXIQXCLPRW-UHFFFAOYSA-N -1 0 351.388 -0.155 20 0 FBADRM COC(=O)CCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000916574518 660181186 /nfs/dbraw/zinc/18/11/86/660181186.db2.gz OWUAIKNYGMVHTB-UHFFFAOYSA-N -1 0 358.372 -0.268 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)NCCn2ccnc2)cc1 ZINC000916574708 660181174 /nfs/dbraw/zinc/18/11/74/660181174.db2.gz HVUDZQMCOKYDPE-UHFFFAOYSA-N -1 0 352.372 -0.324 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000916746808 660184256 /nfs/dbraw/zinc/18/42/56/660184256.db2.gz XNVHTFYBYJCPIS-UHFFFAOYSA-N -1 0 367.408 -0.011 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)C(=O)C1=O ZINC000916748595 660184273 /nfs/dbraw/zinc/18/42/73/660184273.db2.gz JFVMVAHRJWTYME-UHFFFAOYSA-N -1 0 373.818 -0.164 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)[nH]c2=O)cc1 ZINC000916751457 660184244 /nfs/dbraw/zinc/18/42/44/660184244.db2.gz FRFPLJNPZRIKDM-UHFFFAOYSA-N -1 0 366.355 -0.437 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)C(=O)C1=O ZINC000916752450 660184237 /nfs/dbraw/zinc/18/42/37/660184237.db2.gz DOGJHHOMVFUACD-UHFFFAOYSA-N -1 0 353.400 -0.509 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2ccccc2C)C(=O)C1=O ZINC000916755255 660184467 /nfs/dbraw/zinc/18/44/67/660184467.db2.gz CMRJIDLYHRMHNS-UHFFFAOYSA-N -1 0 353.400 -0.509 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CN2CCCS2(=O)=O)cc1 ZINC000916756520 660184482 /nfs/dbraw/zinc/18/44/82/660184482.db2.gz SUBHBBVZBSKLBZ-UHFFFAOYSA-N -1 0 362.429 -0.074 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2ccc(F)cc2)C(=O)C1=O ZINC000916758253 660184468 /nfs/dbraw/zinc/18/44/68/660184468.db2.gz QTUFQCKNFUTMPZ-UHFFFAOYSA-N -1 0 357.363 -0.679 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)cc1 ZINC000916760390 660184274 /nfs/dbraw/zinc/18/42/74/660184274.db2.gz DXHUGAXMOKALTN-UHFFFAOYSA-N -1 0 365.367 -0.745 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)[nH]c2=O)cc1 ZINC000916760561 660184272 /nfs/dbraw/zinc/18/42/72/660184272.db2.gz HSCAJKQOSJIFDF-UHFFFAOYSA-N -1 0 351.340 -0.193 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2cc(C)ccc2C)C(=O)C1=O ZINC000916760793 660184241 /nfs/dbraw/zinc/18/42/41/660184241.db2.gz VKCNEKCPGLEHBU-UHFFFAOYSA-N -1 0 367.427 -0.201 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CN2CCCS2(=O)=O)cc1 ZINC000916760837 660184249 /nfs/dbraw/zinc/18/42/49/660184249.db2.gz KVPXFZKXZYZYCU-UHFFFAOYSA-N -1 0 360.413 -0.270 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c(=O)[nH]c1=O ZINC000916761118 660184251 /nfs/dbraw/zinc/18/42/51/660184251.db2.gz YLNSIHFLRIFXSJ-UHFFFAOYSA-N -1 0 367.339 -0.624 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2ccc(C)cc2C)C(=O)C1=O ZINC000916763194 660184263 /nfs/dbraw/zinc/18/42/63/660184263.db2.gz RGWFTTRTZDGXOX-UHFFFAOYSA-N -1 0 367.427 -0.201 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2ccc(C)c(C)c2)C(=O)C1=O ZINC000916763454 660184260 /nfs/dbraw/zinc/18/42/60/660184260.db2.gz MVHQAWNZJGDRNB-UHFFFAOYSA-N -1 0 367.427 -0.201 20 0 FBADRM CC(C)(C)C(=O)NCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000916763922 660184264 /nfs/dbraw/zinc/18/42/64/660184264.db2.gz BNCIFFKMVZPMMJ-UHFFFAOYSA-N -1 0 366.403 -0.371 20 0 FBADRM Cc1cc(OCC(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)no1 ZINC000916764560 660184229 /nfs/dbraw/zinc/18/42/29/660184229.db2.gz NIIIEFQCFABIRS-UHFFFAOYSA-N -1 0 364.343 -0.157 20 0 FBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000916765438 660184250 /nfs/dbraw/zinc/18/42/50/660184250.db2.gz HSHWJWPKBOFBAO-UHFFFAOYSA-N -1 0 368.375 -0.397 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)CC1=O ZINC000916765439 660184265 /nfs/dbraw/zinc/18/42/65/660184265.db2.gz HSTCYDYHMLQMGE-JTQLQIEISA-N -1 0 364.387 -0.664 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)CC1=O ZINC000916765440 660184257 /nfs/dbraw/zinc/18/42/57/660184257.db2.gz HSTCYDYHMLQMGE-SNVBAGLBSA-N -1 0 364.387 -0.664 20 0 FBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000916765442 660184243 /nfs/dbraw/zinc/18/42/43/660184243.db2.gz HUJCTFAZYJAYLE-SECBINFHSA-N -1 0 352.376 -0.618 20 0 FBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000916765443 660184266 /nfs/dbraw/zinc/18/42/66/660184266.db2.gz HUJCTFAZYJAYLE-VIFPVBQESA-N -1 0 352.376 -0.618 20 0 FBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000916765669 660184232 /nfs/dbraw/zinc/18/42/32/660184232.db2.gz QWRYYDBNROMBGS-UHFFFAOYSA-N -1 0 354.348 -0.835 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)ccc1=O ZINC000916765793 660184227 /nfs/dbraw/zinc/18/42/27/660184227.db2.gz SOBZRYJXRXIWNR-UHFFFAOYSA-N -1 0 360.355 -0.520 20 0 FBADRM CS(=O)(=O)[N-]C(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000916765958 660184258 /nfs/dbraw/zinc/18/42/58/660184258.db2.gz XPIIURYZZYIFRW-UHFFFAOYSA-N -1 0 354.431 -0.542 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)[N-]S(C)(=O)=O)cc1 ZINC000916765970 660184275 /nfs/dbraw/zinc/18/42/75/660184275.db2.gz LPJYEISCQWZEQN-UHFFFAOYSA-N -1 0 363.417 -0.659 20 0 FBADRM CS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000916766007 660184253 /nfs/dbraw/zinc/18/42/53/660184253.db2.gz QMMSTCPTJJXCSL-UHFFFAOYSA-N -1 0 366.392 -0.464 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000916766376 660184240 /nfs/dbraw/zinc/18/42/40/660184240.db2.gz GWOPBTSWXKQTSI-AWEZNQCLSA-N -1 0 370.387 -0.183 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000916766383 660184259 /nfs/dbraw/zinc/18/42/59/660184259.db2.gz GWOPBTSWXKQTSI-CQSZACIVSA-N -1 0 370.387 -0.183 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000916767118 660184235 /nfs/dbraw/zinc/18/42/35/660184235.db2.gz RYTKAIXPUDQFCG-SECBINFHSA-N -1 0 351.406 -0.480 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000916767119 660184254 /nfs/dbraw/zinc/18/42/54/660184254.db2.gz RYTKAIXPUDQFCG-VIFPVBQESA-N -1 0 351.406 -0.480 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000916767461 660184252 /nfs/dbraw/zinc/18/42/52/660184252.db2.gz ZVQZPNRAHBMYJM-JTQLQIEISA-N -1 0 365.433 -0.090 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000916767462 660184262 /nfs/dbraw/zinc/18/42/62/660184262.db2.gz ZVQZPNRAHBMYJM-SNVBAGLBSA-N -1 0 365.433 -0.090 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)[nH]c2=O)cc1OC ZINC000916768170 660184224 /nfs/dbraw/zinc/18/42/24/660184224.db2.gz OASZIDOJICALFY-UHFFFAOYSA-N -1 0 369.355 -0.378 20 0 FBADRM COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)[nH]c2=O)c1 ZINC000916769726 660184255 /nfs/dbraw/zinc/18/42/55/660184255.db2.gz KGAFNHMOXGLCMF-UHFFFAOYSA-N -1 0 369.355 -0.378 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)C(=O)C1=O ZINC000916773514 660184688 /nfs/dbraw/zinc/18/46/88/660184688.db2.gz KYYRQYWGGUYWBP-UHFFFAOYSA-N -1 0 373.818 -0.164 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2cccc(C)c2)C(=O)C1=O ZINC000916776135 660184670 /nfs/dbraw/zinc/18/46/70/660184670.db2.gz KFFOONIAFDJJII-UHFFFAOYSA-N -1 0 353.400 -0.509 20 0 FBADRM COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000916777077 660184666 /nfs/dbraw/zinc/18/46/66/660184666.db2.gz QDHOKQOYBJNUFQ-UHFFFAOYSA-N -1 0 373.368 -0.547 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2ccc(C)s2)C(=O)C1=O ZINC000916779445 660184456 /nfs/dbraw/zinc/18/44/56/660184456.db2.gz DEDUXCZEEMCAKJ-UHFFFAOYSA-N -1 0 359.429 -0.448 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)[N-]S(=O)(=O)c2cccnc2)c1 ZINC000916782383 660184445 /nfs/dbraw/zinc/18/44/45/660184445.db2.gz YDGNKUCIIXSPQP-UHFFFAOYSA-N -1 0 358.401 -0.221 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)C(=O)C1=O ZINC000916783284 660184443 /nfs/dbraw/zinc/18/44/43/660184443.db2.gz FAQUJQFCWRMWPR-DHZHZOJOSA-N -1 0 365.411 -0.206 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)C(=O)C1=O ZINC000916783289 660184451 /nfs/dbraw/zinc/18/44/51/660184451.db2.gz FAQUJQFCWRMWPR-FLIBITNWSA-N -1 0 365.411 -0.206 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@]12CCC(=O)N1CCS2 ZINC000916783844 660184474 /nfs/dbraw/zinc/18/44/74/660184474.db2.gz JGSMNHGTOKLULR-CYBMUJFWSA-N -1 0 358.445 -0.093 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@]12CCC(=O)N1CCS2 ZINC000916783845 660184458 /nfs/dbraw/zinc/18/44/58/660184458.db2.gz JGSMNHGTOKLULR-ZDUSSCGKSA-N -1 0 358.445 -0.093 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CCC(=O)N1CCOCC1 ZINC000916783870 660184454 /nfs/dbraw/zinc/18/44/54/660184454.db2.gz LKHJALDHQYNPRN-UHFFFAOYSA-N -1 0 358.420 -0.519 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000916784735 660184477 /nfs/dbraw/zinc/18/44/77/660184477.db2.gz XBECZOCFVORARB-JTQLQIEISA-N -1 0 364.449 -0.734 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000916784737 660184450 /nfs/dbraw/zinc/18/44/50/660184450.db2.gz XBECZOCFVORARB-SNVBAGLBSA-N -1 0 364.449 -0.734 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2C)CC1=O ZINC000916785164 660184459 /nfs/dbraw/zinc/18/44/59/660184459.db2.gz QZESDOVTGZWIOU-LLVKDONJSA-N -1 0 358.420 -0.663 20 0 FBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2C)CC1=O ZINC000916785166 660184460 /nfs/dbraw/zinc/18/44/60/660184460.db2.gz QZESDOVTGZWIOU-NSHDSACASA-N -1 0 358.420 -0.663 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O ZINC000916785432 660184470 /nfs/dbraw/zinc/18/44/70/660184470.db2.gz SNKYSVHELWGWHC-UHFFFAOYSA-N -1 0 356.404 -0.229 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CSc1nnnn1C1CC1 ZINC000916785816 660184480 /nfs/dbraw/zinc/18/44/80/660184480.db2.gz ZDURVXAGVBOTHN-UHFFFAOYSA-N -1 0 371.448 -0.044 20 0 FBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O ZINC000916787464 660184466 /nfs/dbraw/zinc/18/44/66/660184466.db2.gz DQUZVTBSINDQJO-UHFFFAOYSA-N -1 0 367.383 -0.793 20 0 FBADRM O=C([N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O)[C@H]1COCCO1 ZINC000916787955 660184457 /nfs/dbraw/zinc/18/44/57/660184457.db2.gz PJXLRZGQXYNCMO-GFCCVEGCSA-N -1 0 368.367 -0.856 20 0 FBADRM O=C([N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H]1COCCO1 ZINC000916787956 660184447 /nfs/dbraw/zinc/18/44/47/660184447.db2.gz PJXLRZGQXYNCMO-LBPRGKRZSA-N -1 0 368.367 -0.856 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)Cc2cn3ccccc3n2)cc1C(N)=O ZINC000916788718 660184472 /nfs/dbraw/zinc/18/44/72/660184472.db2.gz GTEPSJHVNQXDPU-UHFFFAOYSA-N -1 0 361.383 -0.181 20 0 FBADRM C[C@@H](NC(=O)C1CCCC1)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000916788761 660184471 /nfs/dbraw/zinc/18/44/71/660184471.db2.gz JWMKQJBLHBVLHI-SECBINFHSA-N -1 0 370.431 -0.376 20 0 FBADRM C[C@H](NC(=O)C1CCCC1)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000916788762 660184483 /nfs/dbraw/zinc/18/44/83/660184483.db2.gz JWMKQJBLHBVLHI-VIFPVBQESA-N -1 0 370.431 -0.376 20 0 FBADRM CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000916789099 660184473 /nfs/dbraw/zinc/18/44/73/660184473.db2.gz SSGKJCLGQALLFU-GHMZBOCLSA-N -1 0 366.461 -0.732 20 0 FBADRM CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000916789112 660184455 /nfs/dbraw/zinc/18/44/55/660184455.db2.gz SSGKJCLGQALLFU-MNOVXSKESA-N -1 0 366.461 -0.732 20 0 FBADRM CCCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000916789113 660184481 /nfs/dbraw/zinc/18/44/81/660184481.db2.gz SSGKJCLGQALLFU-QWRGUYRKSA-N -1 0 366.461 -0.732 20 0 FBADRM CCCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000916789114 660184478 /nfs/dbraw/zinc/18/44/78/660184478.db2.gz SSGKJCLGQALLFU-WDEREUQCSA-N -1 0 366.461 -0.732 20 0 FBADRM CC(C)CN1C[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1=O ZINC000916789373 660184694 /nfs/dbraw/zinc/18/46/94/660184694.db2.gz VKPFOSKDLWSLMY-JTQLQIEISA-N -1 0 370.431 -0.567 20 0 FBADRM CC(C)CN1C[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1=O ZINC000916789374 660184692 /nfs/dbraw/zinc/18/46/92/660184692.db2.gz VKPFOSKDLWSLMY-SNVBAGLBSA-N -1 0 370.431 -0.567 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CCOC[C@@H]2CCCO2)cc1C(N)=O ZINC000916789421 660184669 /nfs/dbraw/zinc/18/46/69/660184669.db2.gz XKAXAIMBPVTEJL-JTQLQIEISA-N -1 0 359.404 -0.485 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CCOC[C@H]2CCCO2)cc1C(N)=O ZINC000916789422 660184680 /nfs/dbraw/zinc/18/46/80/660184680.db2.gz XKAXAIMBPVTEJL-SNVBAGLBSA-N -1 0 359.404 -0.485 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1C(N)=O ZINC000916789437 660184695 /nfs/dbraw/zinc/18/46/95/660184695.db2.gz XWEMEZFLUZUBSF-SECBINFHSA-N -1 0 370.431 -0.424 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cc1C(N)=O ZINC000916789439 660184687 /nfs/dbraw/zinc/18/46/87/660184687.db2.gz XWEMEZFLUZUBSF-VIFPVBQESA-N -1 0 370.431 -0.424 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CN2CCCS2(=O)=O)c1 ZINC000916790570 660184683 /nfs/dbraw/zinc/18/46/83/660184683.db2.gz LCRDUMJVRTVSHP-UHFFFAOYSA-N -1 0 360.413 -0.270 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)c1 ZINC000916790827 660184684 /nfs/dbraw/zinc/18/46/84/660184684.db2.gz PBBJGBWLXMFKCL-UHFFFAOYSA-N -1 0 365.367 -0.745 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)[nH]c2=O)c1 ZINC000916791114 660184679 /nfs/dbraw/zinc/18/46/79/660184679.db2.gz WMQDUMAZCHBOJL-UHFFFAOYSA-N -1 0 351.340 -0.193 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)C(=O)C1=O ZINC000916792751 660184892 /nfs/dbraw/zinc/18/48/92/660184892.db2.gz FTYTYPHMFRRDHM-UHFFFAOYSA-N -1 0 371.390 -0.538 20 0 FBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000916792786 660184921 /nfs/dbraw/zinc/18/49/21/660184921.db2.gz GXXZZQMJCDMDJO-UHFFFAOYSA-N -1 0 350.393 -0.193 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)c1ccc(=O)n(C)c1 ZINC000916798048 660184871 /nfs/dbraw/zinc/18/48/71/660184871.db2.gz LJTHVQOGOAXCBW-UHFFFAOYSA-N -1 0 364.383 -0.399 20 0 FBADRM Cc1cc(OCC(=O)[N-]S(=O)(=O)c2ncccc2C(=O)N(C)C)no1 ZINC000916798583 660184900 /nfs/dbraw/zinc/18/49/00/660184900.db2.gz GAUVNGTUNVLBOG-UHFFFAOYSA-N -1 0 368.371 -0.036 20 0 FBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C ZINC000916798709 660184922 /nfs/dbraw/zinc/18/49/22/660184922.db2.gz ZHXLVAKTVBOUFT-UHFFFAOYSA-N -1 0 358.376 -0.714 20 0 FBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C ZINC000916798723 660184883 /nfs/dbraw/zinc/18/48/83/660184883.db2.gz ZUGZTTQDYFDXQJ-UHFFFAOYSA-N -1 0 372.403 -0.276 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2ccccc2Cl)C(=O)C1=O ZINC000916800226 660184878 /nfs/dbraw/zinc/18/48/78/660184878.db2.gz PBIRNFARSTZOEX-UHFFFAOYSA-N -1 0 373.818 -0.164 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CCCN2C(=O)CNC2=O)cc1 ZINC000916800887 660184872 /nfs/dbraw/zinc/18/48/72/660184872.db2.gz SGAYCQSDUMTOKZ-UHFFFAOYSA-N -1 0 355.372 -0.168 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC000916801570 660184659 /nfs/dbraw/zinc/18/46/59/660184659.db2.gz KGSLIRSKWRMLER-GFCCVEGCSA-N -1 0 362.429 -0.076 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1 ZINC000916801572 660184698 /nfs/dbraw/zinc/18/46/98/660184698.db2.gz KGSLIRSKWRMLER-LBPRGKRZSA-N -1 0 362.429 -0.076 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2ccc(OC)cc2)C(=O)C1=O ZINC000916802491 660184691 /nfs/dbraw/zinc/18/46/91/660184691.db2.gz OYCIEQMKRHYNRR-UHFFFAOYSA-N -1 0 369.399 -0.809 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(OC)cc2)CC1=O ZINC000916802667 660184662 /nfs/dbraw/zinc/18/46/62/660184662.db2.gz VTVNTFSNAQMNDV-LLVKDONJSA-N -1 0 356.400 -0.005 20 0 FBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(OC)cc2)CC1=O ZINC000916802668 660184690 /nfs/dbraw/zinc/18/46/90/660184690.db2.gz VTVNTFSNAQMNDV-NSHDSACASA-N -1 0 356.400 -0.005 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2ccccc2F)C(=O)C1=O ZINC000916805362 660184675 /nfs/dbraw/zinc/18/46/75/660184675.db2.gz IRVPJKKYJYXLOF-UHFFFAOYSA-N -1 0 357.363 -0.679 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)[N-]S(=O)(=O)c1ccccc1F)c2=O ZINC000916805638 660184660 /nfs/dbraw/zinc/18/46/60/660184660.db2.gz FDLRJRHVRDBGQK-UHFFFAOYSA-N -1 0 365.346 -0.226 20 0 FBADRM Cn1ncc2c1ncn(CC(=O)[N-]S(=O)(=O)Cc1ccccc1)c2=O ZINC000916805971 660184673 /nfs/dbraw/zinc/18/46/73/660184673.db2.gz BNQJVYIFJMDARY-UHFFFAOYSA-N -1 0 361.383 -0.224 20 0 FBADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)Cc2ccccc2)C(=O)C1=O ZINC000916808434 660184677 /nfs/dbraw/zinc/18/46/77/660184677.db2.gz CKXJJQSWUAYIHO-UHFFFAOYSA-N -1 0 353.400 -0.677 20 0 FBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000916817057 660185165 /nfs/dbraw/zinc/18/51/65/660185165.db2.gz SHHVIKJNMINHMB-UHFFFAOYSA-N -1 0 354.356 -0.195 20 0 FBADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC000916819444 660185134 /nfs/dbraw/zinc/18/51/34/660185134.db2.gz AFSONIVUKMAHRP-UHFFFAOYSA-N -1 0 373.412 -0.191 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)Cc2noc3ccccc23)c(=O)[nH]c1=O ZINC000916820629 660185101 /nfs/dbraw/zinc/18/51/01/660185101.db2.gz VQEDBTCARHSGTA-UHFFFAOYSA-N -1 0 364.339 -0.113 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)Cc1noc2ccccc21)S(C)(=O)=O ZINC000916820927 660185048 /nfs/dbraw/zinc/18/50/48/660185048.db2.gz ZUTGXZOAUVVGMY-UHFFFAOYSA-N -1 0 361.401 -0.335 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCN2S(C)(=O)=O)cn1 ZINC000916821264 660185112 /nfs/dbraw/zinc/18/51/12/660185112.db2.gz GATMJKANPUOYAT-JTQLQIEISA-N -1 0 350.422 -0.961 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCCN2S(C)(=O)=O)cn1 ZINC000916821265 660185043 /nfs/dbraw/zinc/18/50/43/660185043.db2.gz GATMJKANPUOYAT-SNVBAGLBSA-N -1 0 350.422 -0.961 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CCCN2C(=O)NC(C)(C)C2=O)cn1 ZINC000916821334 660185051 /nfs/dbraw/zinc/18/50/51/660185051.db2.gz JHRCETZGJZUOBU-UHFFFAOYSA-N -1 0 357.392 -0.664 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)c2cnn(C)c2)C1=O ZINC000916821688 660185109 /nfs/dbraw/zinc/18/51/09/660185109.db2.gz PMURUVYMOKHMGR-UHFFFAOYSA-N -1 0 357.392 -0.664 20 0 FBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000916821710 660185037 /nfs/dbraw/zinc/18/50/37/660185037.db2.gz RJZHLDOAVNTDFR-UHFFFAOYSA-N -1 0 351.344 -0.313 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cn1 ZINC000916821970 660185114 /nfs/dbraw/zinc/18/51/14/660185114.db2.gz CQFMFHIDGACCRC-JTQLQIEISA-N -1 0 352.372 -0.133 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cn1 ZINC000916821976 660185030 /nfs/dbraw/zinc/18/50/30/660185030.db2.gz CQFMFHIDGACCRC-SNVBAGLBSA-N -1 0 352.372 -0.133 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CSCC(=O)N2CCCCC2)cn1 ZINC000916822086 660185071 /nfs/dbraw/zinc/18/50/71/660185071.db2.gz MRZLUSRKSHHKDC-UHFFFAOYSA-N -1 0 360.461 -0.029 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)cc1 ZINC000916822382 660185089 /nfs/dbraw/zinc/18/50/89/660185089.db2.gz QFOMDZRARBEQKZ-UHFFFAOYSA-N -1 0 372.428 -0.211 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)c1 ZINC000916822447 660185146 /nfs/dbraw/zinc/18/51/46/660185146.db2.gz VEDIGGTUXGEJDW-UHFFFAOYSA-N -1 0 372.428 -0.211 20 0 FBADRM Cc1cc(NC(=O)CSCC(=O)[N-]S(=O)(=O)c2cnn(C)c2)no1 ZINC000916822466 660185139 /nfs/dbraw/zinc/18/51/39/660185139.db2.gz XJMPZMMNUFRHFJ-UHFFFAOYSA-N -1 0 373.416 -0.107 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(N3CCOCC3)nc2)cn1 ZINC000916822550 660185104 /nfs/dbraw/zinc/18/51/04/660185104.db2.gz BVABFOLVRYGQBJ-UHFFFAOYSA-N -1 0 351.388 -0.230 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CCN2C(=O)NC3(CCCC3)C2=O)cn1 ZINC000916822687 660184884 /nfs/dbraw/zinc/18/48/84/660184884.db2.gz HOHBNRJQJCFWJW-UHFFFAOYSA-N -1 0 369.403 -0.520 20 0 FBADRM Cc1cccc2c(=O)n(CC(=O)[N-]S(=O)(=O)c3cnn(C)c3)cnc12 ZINC000916822738 660184890 /nfs/dbraw/zinc/18/48/90/660184890.db2.gz MUXGLVDSEPRFCZ-UHFFFAOYSA-N -1 0 361.383 -0.056 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CCn2nnc3ccccc3c2=O)cn1 ZINC000916823087 660184915 /nfs/dbraw/zinc/18/49/15/660184915.db2.gz XNFOTXVBCRFSKU-UHFFFAOYSA-N -1 0 362.371 -0.580 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cn1 ZINC000916823094 660184911 /nfs/dbraw/zinc/18/49/11/660184911.db2.gz YSSPXRNNMAPOON-RYUDHWBXSA-N -1 0 368.415 -0.210 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cn1 ZINC000916823095 660184896 /nfs/dbraw/zinc/18/48/96/660184896.db2.gz YSSPXRNNMAPOON-TXEJJXNPSA-N -1 0 368.415 -0.210 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cn1 ZINC000916823553 660184920 /nfs/dbraw/zinc/18/49/20/660184920.db2.gz JYEVVFONNWYAFC-UHFFFAOYSA-N -1 0 363.355 -0.659 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)c1 ZINC000916823563 660184869 /nfs/dbraw/zinc/18/48/69/660184869.db2.gz KAPFLXUKLWLNSS-UHFFFAOYSA-N -1 0 361.405 -0.883 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)o1 ZINC000916823855 660184908 /nfs/dbraw/zinc/18/49/08/660184908.db2.gz OIIBBYDMGDNVAO-UHFFFAOYSA-N -1 0 362.389 -0.618 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1cnn(C)c1)S(=O)(=O)c1ccccc1 ZINC000916823940 660184893 /nfs/dbraw/zinc/18/48/93/660184893.db2.gz ZKGKAJYOYNXCPE-UHFFFAOYSA-N -1 0 372.428 -0.454 20 0 FBADRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)CCCN1C(=O)CNC1=O ZINC000916824869 660184919 /nfs/dbraw/zinc/18/49/19/660184919.db2.gz RNVIOPWZDGQWCO-UHFFFAOYSA-N -1 0 368.415 -0.189 20 0 FBADRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)CN1CCCS1(=O)=O ZINC000916825370 660184910 /nfs/dbraw/zinc/18/49/10/660184910.db2.gz FCBJOGUTVARVOA-UHFFFAOYSA-N -1 0 361.445 -0.485 20 0 FBADRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000916825811 660184879 /nfs/dbraw/zinc/18/48/79/660184879.db2.gz VOBNDLQXRUXCMN-UHFFFAOYSA-N -1 0 352.372 -0.408 20 0 FBADRM O=C(Nc1nn[nH]n1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000916826458 660184864 /nfs/dbraw/zinc/18/48/64/660184864.db2.gz AHUOFPOPCYOSTK-UHFFFAOYSA-N -1 0 356.339 -0.388 20 0 FBADRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)[C@@H]1COC[C@H]1O ZINC000916830073 660185141 /nfs/dbraw/zinc/18/51/41/660185141.db2.gz ZQUFNBLMDZKPDW-ZYUZMQFOSA-N -1 0 360.354 -0.393 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CCn2cc(Cl)cn2)cc1C(N)=O ZINC000917414567 660191106 /nfs/dbraw/zinc/19/11/06/660191106.db2.gz DNMHOOYFGOTFKE-UHFFFAOYSA-N -1 0 359.795 -0.131 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CN2CCCCCCC2=O)cc1C(N)=O ZINC000917414598 660191074 /nfs/dbraw/zinc/19/10/74/660191074.db2.gz GEIJQNXWPVTIGS-UHFFFAOYSA-N -1 0 370.431 -0.278 20 0 FBADRM COCCn1cc(C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2C)ccc1=O ZINC000917415046 660191082 /nfs/dbraw/zinc/19/10/82/660191082.db2.gz GRWOPDRCRQQTTC-UHFFFAOYSA-N -1 0 368.415 -0.036 20 0 FBADRM CCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)C1 ZINC000917415085 660191099 /nfs/dbraw/zinc/19/10/99/660191099.db2.gz HJOVJMHWRQVKFA-JTQLQIEISA-N -1 0 370.431 -0.423 20 0 FBADRM CCC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)C1 ZINC000917415088 660191373 /nfs/dbraw/zinc/19/13/73/660191373.db2.gz HJOVJMHWRQVKFA-SNVBAGLBSA-N -1 0 370.431 -0.423 20 0 FBADRM COCCN1C(=O)c2ccc(C(=O)[N-]S(C)(=O)=O)cc2S1(=O)=O ZINC000917415139 660191367 /nfs/dbraw/zinc/19/13/67/660191367.db2.gz BYAVHSVDOGACEA-UHFFFAOYSA-N -1 0 362.385 -0.833 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cccc3c2OCO3)cc1C(N)=O ZINC000917416256 660191358 /nfs/dbraw/zinc/19/13/58/660191358.db2.gz QFDBHFHXRSTPLI-UHFFFAOYSA-N -1 0 351.340 -0.029 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)c1c[nH]c(C(N)=O)c1 ZINC000917417083 660191351 /nfs/dbraw/zinc/19/13/51/660191351.db2.gz UZADKHHZWHGPOM-UHFFFAOYSA-N -1 0 365.371 -0.671 20 0 FBADRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c[nH]1 ZINC000917417916 660191365 /nfs/dbraw/zinc/19/13/65/660191365.db2.gz VUSKGGGMJKFLQI-UHFFFAOYSA-N -1 0 361.343 -0.792 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCN2C(=O)CCC2=O)s1 ZINC000917435055 660191372 /nfs/dbraw/zinc/19/13/72/660191372.db2.gz IWKVMRWAGNKAGV-UHFFFAOYSA-N -1 0 374.396 -0.121 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)[nH]c2=O)s1 ZINC000917438146 660191359 /nfs/dbraw/zinc/19/13/59/660191359.db2.gz YUSKGIDBNJNASH-UHFFFAOYSA-N -1 0 373.368 -0.547 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O)s1 ZINC000917438405 660191345 /nfs/dbraw/zinc/19/13/45/660191345.db2.gz ZNHDCWAQODBIEU-UHFFFAOYSA-N -1 0 370.430 -0.769 20 0 FBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000917440196 660191330 /nfs/dbraw/zinc/19/13/30/660191330.db2.gz DJDPFGIENADGES-SECBINFHSA-N -1 0 366.403 -0.403 20 0 FBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000917440197 660191369 /nfs/dbraw/zinc/19/13/69/660191369.db2.gz DJDPFGIENADGES-VIFPVBQESA-N -1 0 366.403 -0.403 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)Cn2ccccc2=O)c1 ZINC000917440292 660191350 /nfs/dbraw/zinc/19/13/50/660191350.db2.gz OWDQMOFDFNOYNR-UHFFFAOYSA-N -1 0 370.408 -0.243 20 0 FBADRM CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000917440370 660191363 /nfs/dbraw/zinc/19/13/63/660191363.db2.gz QAKTYSYABCQJOQ-MRVPVSSYSA-N -1 0 352.376 -0.793 20 0 FBADRM CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000917440371 660191349 /nfs/dbraw/zinc/19/13/49/660191349.db2.gz QAKTYSYABCQJOQ-QMMMGPOBSA-N -1 0 352.376 -0.793 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2COCCO2)c1 ZINC000917441018 660191355 /nfs/dbraw/zinc/19/13/55/660191355.db2.gz BWECPGMVIZUVKG-LLVKDONJSA-N -1 0 353.360 -0.903 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCO2)c1 ZINC000917441019 660191378 /nfs/dbraw/zinc/19/13/78/660191378.db2.gz BWECPGMVIZUVKG-NSHDSACASA-N -1 0 353.360 -0.903 20 0 FBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000917441210 660191374 /nfs/dbraw/zinc/19/13/74/660191374.db2.gz VPWGMJQGXCEQHL-UHFFFAOYSA-N -1 0 352.376 -0.840 20 0 FBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000917442187 660191376 /nfs/dbraw/zinc/19/13/76/660191376.db2.gz USGCECNBVFEXLH-UHFFFAOYSA-N -1 0 368.375 -0.620 20 0 FBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000917442473 660191354 /nfs/dbraw/zinc/19/13/54/660191354.db2.gz DEJLFSOHZPDFNS-SECBINFHSA-N -1 0 362.429 -0.190 20 0 FBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000917442474 660191360 /nfs/dbraw/zinc/19/13/60/660191360.db2.gz DEJLFSOHZPDFNS-VIFPVBQESA-N -1 0 362.429 -0.190 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(N)=O)c2)c1 ZINC000917444092 660191593 /nfs/dbraw/zinc/19/15/93/660191593.db2.gz ADMIOKAMYPTVHD-UHFFFAOYSA-N -1 0 371.396 -0.364 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1=O ZINC000917444109 660191628 /nfs/dbraw/zinc/19/16/28/660191628.db2.gz AVHJIVYRNWTAFY-JTQLQIEISA-N -1 0 374.440 -0.237 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1=O ZINC000917444110 660191632 /nfs/dbraw/zinc/19/16/32/660191632.db2.gz AVHJIVYRNWTAFY-SNVBAGLBSA-N -1 0 374.440 -0.237 20 0 FBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000917444648 660191597 /nfs/dbraw/zinc/19/15/97/660191597.db2.gz KQBWOTJAXOIVSI-UHFFFAOYSA-N -1 0 350.374 -0.749 20 0 FBADRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000917445104 660191635 /nfs/dbraw/zinc/19/16/35/660191635.db2.gz QUAHTZNQYZFSJM-UHFFFAOYSA-N -1 0 364.401 -0.407 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)ccc1=O ZINC000917445221 660191629 /nfs/dbraw/zinc/19/16/29/660191629.db2.gz XMUVQGTXOZZJSL-UHFFFAOYSA-N -1 0 370.408 -0.093 20 0 FBADRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ncccc2C(=O)N(C)C)n(C)n1 ZINC000917517392 660191874 /nfs/dbraw/zinc/19/18/74/660191874.db2.gz PZCRGQXVPSHMQF-UHFFFAOYSA-N -1 0 351.388 -0.056 20 0 FBADRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ncccc2C(=O)N(C)C)nn1C ZINC000917517766 660191894 /nfs/dbraw/zinc/19/18/94/660191894.db2.gz ZCJOTUXQTFVEHL-UHFFFAOYSA-N -1 0 351.388 -0.056 20 0 FBADRM CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000917652460 660192425 /nfs/dbraw/zinc/19/24/25/660192425.db2.gz CJDSKILDOXLFLK-UHFFFAOYSA-N -1 0 355.416 -0.173 20 0 FBADRM CN1CCN(C(=O)CCNS(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000917652493 660192409 /nfs/dbraw/zinc/19/24/09/660192409.db2.gz GVLRFRRZGMQJCW-UHFFFAOYSA-N -1 0 355.416 -0.173 20 0 FBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cnn(CC(N)=O)c1 ZINC000917743164 660192656 /nfs/dbraw/zinc/19/26/56/660192656.db2.gz REQDXWHVMWFSRQ-UHFFFAOYSA-N -1 0 356.364 -0.623 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)[C@@H]2COC[C@H]2O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000917755586 660192601 /nfs/dbraw/zinc/19/26/01/660192601.db2.gz ZSRBACGREDUQDJ-UTINFBMNSA-N -1 0 360.354 -0.535 20 0 FBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cnn(CC(=O)NC)c1 ZINC000917755998 660192672 /nfs/dbraw/zinc/19/26/72/660192672.db2.gz IEOKUEAOTXYTKT-UHFFFAOYSA-N -1 0 370.391 -0.362 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000917881068 660193336 /nfs/dbraw/zinc/19/33/36/660193336.db2.gz CORFIWGBDODHPA-GFCCVEGCSA-N -1 0 369.399 -0.552 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000917881070 660193380 /nfs/dbraw/zinc/19/33/80/660193380.db2.gz CORFIWGBDODHPA-LBPRGKRZSA-N -1 0 369.399 -0.552 20 0 FBADRM NC(=O)C1(CNS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CCOCC1 ZINC000917885002 660193318 /nfs/dbraw/zinc/19/33/18/660193318.db2.gz CSKLVJHRRSKCLG-UHFFFAOYSA-N -1 0 358.372 -0.349 20 0 FBADRM CCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000917890937 660193523 /nfs/dbraw/zinc/19/35/23/660193523.db2.gz VMOKJUSPTPCDIJ-UHFFFAOYSA-N -1 0 371.415 -0.400 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)NCCCn2cncn2)cc1 ZINC000917891712 660193577 /nfs/dbraw/zinc/19/35/77/660193577.db2.gz BTXWAJQGDUMICE-UHFFFAOYSA-N -1 0 367.387 -0.539 20 0 FBADRM CN1CCN(C(=O)CCNS(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000917911039 660193528 /nfs/dbraw/zinc/19/35/28/660193528.db2.gz FZBZFGJIRSURPD-UHFFFAOYSA-N -1 0 361.445 -0.111 20 0 FBADRM CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CC1 ZINC000917911052 660193549 /nfs/dbraw/zinc/19/35/49/660193549.db2.gz GLMCVZAHVQGNDB-UHFFFAOYSA-N -1 0 371.415 -0.467 20 0 FBADRM CN1CCN(C(=O)CCNS(=O)(=O)c2cc(C(=O)[O-])ccc2F)CC1 ZINC000917911925 660193578 /nfs/dbraw/zinc/19/35/78/660193578.db2.gz PXZBNJCKEGMZPZ-UHFFFAOYSA-N -1 0 373.406 -0.034 20 0 FBADRM CCNC(=O)CN(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000917919980 660193515 /nfs/dbraw/zinc/19/35/15/660193515.db2.gz YTLOWCKDKLKLBK-UHFFFAOYSA-N -1 0 357.388 -0.742 20 0 FBADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000917921784 660193586 /nfs/dbraw/zinc/19/35/86/660193586.db2.gz ZPBOCGZWOZUOKY-LLVKDONJSA-N -1 0 370.383 -0.315 20 0 FBADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000917921786 660193504 /nfs/dbraw/zinc/19/35/04/660193504.db2.gz ZPBOCGZWOZUOKY-NSHDSACASA-N -1 0 370.383 -0.315 20 0 FBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000917930970 660193506 /nfs/dbraw/zinc/19/35/06/660193506.db2.gz OXQZXOLSWXMKPR-NXEZZACHSA-N -1 0 369.399 -0.463 20 0 FBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000917930971 660193555 /nfs/dbraw/zinc/19/35/55/660193555.db2.gz OXQZXOLSWXMKPR-UWVGGRQHSA-N -1 0 369.399 -0.463 20 0 FBADRM CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000917930972 660193593 /nfs/dbraw/zinc/19/35/93/660193593.db2.gz OXQZXOLSWXMKPR-VHSXEESVSA-N -1 0 369.399 -0.463 20 0 FBADRM CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000917930973 660193540 /nfs/dbraw/zinc/19/35/40/660193540.db2.gz OXQZXOLSWXMKPR-ZJUUUORDSA-N -1 0 369.399 -0.463 20 0 FBADRM CO[N-]C(=O)CNC(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000918010853 660193998 /nfs/dbraw/zinc/19/39/98/660193998.db2.gz RPJCQKLADPNODK-HNNXBMFYSA-N -1 0 350.419 -0.093 20 0 FBADRM CO[N-]C(=O)CNC(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000918010854 660194007 /nfs/dbraw/zinc/19/40/07/660194007.db2.gz RPJCQKLADPNODK-OAHLLOKOSA-N -1 0 350.419 -0.093 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000918064334 660194209 /nfs/dbraw/zinc/19/42/09/660194209.db2.gz CBNIJVSUHYJZIU-JTQLQIEISA-N -1 0 374.346 -0.424 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000918064340 660194263 /nfs/dbraw/zinc/19/42/63/660194263.db2.gz CBNIJVSUHYJZIU-SNVBAGLBSA-N -1 0 374.346 -0.424 20 0 FBADRM CCn1c(=O)c2ccc(C(=O)NCCS(N)(=O)=O)cc2[n-]c1=S ZINC000918067320 660194203 /nfs/dbraw/zinc/19/42/03/660194203.db2.gz CLPNTVAUELLNFW-UHFFFAOYSA-N -1 0 356.429 -0.277 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000918324554 660195889 /nfs/dbraw/zinc/19/58/89/660195889.db2.gz HLRIBLPZEPFQGN-UHFFFAOYSA-N -1 0 362.371 -0.583 20 0 FBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CC12COCCN1CCOC2 ZINC000918368489 660195829 /nfs/dbraw/zinc/19/58/29/660195829.db2.gz KQKROXBIMNUMET-JOCHJYFZSA-N -1 0 369.509 -0.182 20 0 FBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CC12COCCN1CCOC2 ZINC000918368490 660195831 /nfs/dbraw/zinc/19/58/31/660195831.db2.gz KQKROXBIMNUMET-QFIPXVFZSA-N -1 0 369.509 -0.182 20 0 FBADRM O=S(=O)(N=S1(=O)CCCC1)[N-]CC12COCCN1CCOC2 ZINC000918377833 660196089 /nfs/dbraw/zinc/19/60/89/660196089.db2.gz LPIQOQRBYCUQOC-UHFFFAOYSA-N -1 0 353.466 -0.816 20 0 FBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]CC12COCCN1CCOC2 ZINC000918379165 660196136 /nfs/dbraw/zinc/19/61/36/660196136.db2.gz UYDCIFHVQAPJMH-UHFFFAOYSA-N -1 0 355.482 -0.570 20 0 FBADRM COc1ccc(O)c(S(=O)(=O)NCC23COCCN2CCOC3)c1 ZINC000918379175 660196124 /nfs/dbraw/zinc/19/61/24/660196124.db2.gz VEOJSPWJBIGYAL-UHFFFAOYSA-N -1 0 358.416 -0.220 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC000918383361 660196107 /nfs/dbraw/zinc/19/61/07/660196107.db2.gz IGYMZFNSYHSULE-UHFFFAOYSA-N -1 0 354.367 -0.681 20 0 FBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1 ZINC000918399239 660196357 /nfs/dbraw/zinc/19/63/57/660196357.db2.gz MUUALGPTBVBWEW-UHFFFAOYSA-N -1 0 356.364 -0.623 20 0 FBADRM CC(C)C(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000918478017 660196861 /nfs/dbraw/zinc/19/68/61/660196861.db2.gz AXQMDWRTFWLRGA-LLVKDONJSA-N -1 0 370.431 -0.424 20 0 FBADRM CC(C)C(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000918478021 660196891 /nfs/dbraw/zinc/19/68/91/660196891.db2.gz AXQMDWRTFWLRGA-NSHDSACASA-N -1 0 370.431 -0.424 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CCN1CCCS1(=O)=O ZINC000918478636 660196844 /nfs/dbraw/zinc/19/68/44/660196844.db2.gz KIBXNXPVSBGFMR-UHFFFAOYSA-N -1 0 364.449 -0.733 20 0 FBADRM CCCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000918479068 660196853 /nfs/dbraw/zinc/19/68/53/660196853.db2.gz QMUKKJFIMQDLKI-LLVKDONJSA-N -1 0 370.431 -0.280 20 0 FBADRM CCCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000918479069 660196882 /nfs/dbraw/zinc/19/68/82/660196882.db2.gz QMUKKJFIMQDLKI-NSHDSACASA-N -1 0 370.431 -0.280 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CCN1CCCS1(=O)=O ZINC000918479625 660196846 /nfs/dbraw/zinc/19/68/46/660196846.db2.gz NHKLADGOZXWZTP-UHFFFAOYSA-N -1 0 351.406 -0.478 20 0 FBADRM C[C@@H](Sc1nnnn1C1CC1)C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000918482353 660196890 /nfs/dbraw/zinc/19/68/90/660196890.db2.gz QKMCKVYZSUWHIW-SSDOTTSWSA-N -1 0 357.421 -0.273 20 0 FBADRM C[C@H](Sc1nnnn1C1CC1)C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000918482357 660196862 /nfs/dbraw/zinc/19/68/62/660196862.db2.gz QKMCKVYZSUWHIW-ZETCQYMHSA-N -1 0 357.421 -0.273 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)CCN2CCCS2(=O)=O)cc1 ZINC000918482424 660196851 /nfs/dbraw/zinc/19/68/51/660196851.db2.gz ZDIFZYIRZSXSNQ-UHFFFAOYSA-N -1 0 362.429 -0.074 20 0 FBADRM CO[N-]C(=O)CNC(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000919296812 660202239 /nfs/dbraw/zinc/20/22/39/660202239.db2.gz KQNJQKKLTGWFEB-CYBMUJFWSA-N -1 0 350.423 -0.431 20 0 FBADRM CO[N-]C(=O)CNC(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000919296813 660202276 /nfs/dbraw/zinc/20/22/76/660202276.db2.gz KQNJQKKLTGWFEB-ZDUSSCGKSA-N -1 0 350.423 -0.431 20 0 FBADRM COC(=O)CNC(=O)COC(=O)c1ccc(F)cc1[N-]S(C)(=O)=O ZINC000919340734 660202910 /nfs/dbraw/zinc/20/29/10/660202910.db2.gz JWIOOBNJMZFBJZ-UHFFFAOYSA-N -1 0 362.335 -0.357 20 0 FBADRM CS(=O)(=O)[N-]c1cc(F)ccc1C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000919342505 660202898 /nfs/dbraw/zinc/20/28/98/660202898.db2.gz QSCNKKRTCXKQBC-UHFFFAOYSA-N -1 0 373.362 -0.688 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)N1CCCC1)S(=O)(=O)c1cccnc1 ZINC000919669619 660204727 /nfs/dbraw/zinc/20/47/27/660204727.db2.gz QRJPXIXJCPAMCX-UHFFFAOYSA-N -1 0 362.433 -0.841 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)/C=C\c2cnn(C)c2)CC1 ZINC000919669728 660204740 /nfs/dbraw/zinc/20/47/40/660204740.db2.gz ZBISDBSIVIKOEV-ARJAWSKDSA-N -1 0 356.404 -0.321 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCCC2)o1 ZINC000919669819 660204772 /nfs/dbraw/zinc/20/47/72/660204772.db2.gz DGCKLXIVGOBUTH-UHFFFAOYSA-N -1 0 351.406 -0.400 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCCC1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000919669844 660204761 /nfs/dbraw/zinc/20/47/61/660204761.db2.gz ANFNVNDZDQSIOE-UHFFFAOYSA-N -1 0 366.399 -0.191 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)N2CCCC2)CC1 ZINC000919670025 660204748 /nfs/dbraw/zinc/20/47/48/660204748.db2.gz JNTZCHJGHHNADA-UHFFFAOYSA-N -1 0 353.466 -0.495 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)[N-]S(=O)(=O)N2CCCC2)c1 ZINC000919670028 660204745 /nfs/dbraw/zinc/20/47/45/660204745.db2.gz JTBHWFJLIFWWLO-UHFFFAOYSA-N -1 0 350.422 -0.665 20 0 FBADRM CCc1c(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)OC)CC2)cnn1C ZINC000919670107 660204702 /nfs/dbraw/zinc/20/47/02/660204702.db2.gz AJUOKFVSLDKXGT-UHFFFAOYSA-N -1 0 358.420 -0.158 20 0 FBADRM O=C(CN1C(=O)c2ccccc2S1(=O)=O)[N-]S(=O)(=O)N1CCCC1 ZINC000919670282 660204766 /nfs/dbraw/zinc/20/47/66/660204766.db2.gz WBVBIHMZCGCJCC-UHFFFAOYSA-N -1 0 373.412 -0.712 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C(=O)C2)CC1 ZINC000919670371 660204771 /nfs/dbraw/zinc/20/47/71/660204771.db2.gz HCTMXNMEJWKERJ-LLVKDONJSA-N -1 0 361.420 -0.899 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C(=O)C2)CC1 ZINC000919670372 660204764 /nfs/dbraw/zinc/20/47/64/660204764.db2.gz HCTMXNMEJWKERJ-NSHDSACASA-N -1 0 361.420 -0.899 20 0 FBADRM Cn1ncc2c1nc(CCC(=O)[N-]S(=O)(=O)N1CCCC1)[nH]c2=O ZINC000919670496 660204719 /nfs/dbraw/zinc/20/47/19/660204719.db2.gz YRBHAODVSCCTPH-UHFFFAOYSA-N -1 0 354.392 -0.542 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CCn2ccccc2=O)CC1 ZINC000919670552 660204767 /nfs/dbraw/zinc/20/47/67/660204767.db2.gz JQOKOOZERSGQTR-UHFFFAOYSA-N -1 0 371.415 -0.516 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)COc2cc(C)on2)CC1 ZINC000919670714 660204765 /nfs/dbraw/zinc/20/47/65/660204765.db2.gz XKHVUQWDNMFOGF-UHFFFAOYSA-N -1 0 361.376 -0.392 20 0 FBADRM O=C(CCN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)N1CCCC1 ZINC000919670926 660204759 /nfs/dbraw/zinc/20/47/59/660204759.db2.gz NFRJCDIIJWZZLX-UHFFFAOYSA-N -1 0 358.420 -0.302 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)N2CCCCC2)C1=O ZINC000919671544 660204752 /nfs/dbraw/zinc/20/47/52/660204752.db2.gz BFJDOJFRPOWAJJ-AWEZNQCLSA-N -1 0 358.420 -0.446 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)N2CCCCC2)C1=O ZINC000919671545 660204773 /nfs/dbraw/zinc/20/47/73/660204773.db2.gz BFJDOJFRPOWAJJ-CQSZACIVSA-N -1 0 358.420 -0.446 20 0 FBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000919671550 660204738 /nfs/dbraw/zinc/20/47/38/660204738.db2.gz CSPJPOKDDWHUNP-UHFFFAOYSA-N -1 0 358.420 -0.302 20 0 FBADRM CC1(C)NC(=O)N(CCCC(=O)[N-]S(=O)(=O)N2CCCCC2)C1=O ZINC000919671553 660204707 /nfs/dbraw/zinc/20/47/07/660204707.db2.gz DGERRTCCGWAAMI-UHFFFAOYSA-N -1 0 360.436 -0.056 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000919671686 660204695 /nfs/dbraw/zinc/20/46/95/660204695.db2.gz MPARJZKAXOJBOW-UHFFFAOYSA-N -1 0 374.444 -0.669 20 0 FBADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)N2CCCCC2)C1=O ZINC000919671902 660204768 /nfs/dbraw/zinc/20/47/68/660204768.db2.gz UOTSBWJZLWNCGO-UHFFFAOYSA-N -1 0 360.436 -0.056 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000919671905 660204763 /nfs/dbraw/zinc/20/47/63/660204763.db2.gz USPUKAHUFUMFTH-LLVKDONJSA-N -1 0 353.466 -0.353 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000919671906 660204769 /nfs/dbraw/zinc/20/47/69/660204769.db2.gz USPUKAHUFUMFTH-NSHDSACASA-N -1 0 353.466 -0.353 20 0 FBADRM Cn1ncc2c1nc(CCC(=O)[N-]S(=O)(=O)N1CCCCC1)[nH]c2=O ZINC000919671932 660204735 /nfs/dbraw/zinc/20/47/35/660204735.db2.gz YCTFKPCAUPOWMR-UHFFFAOYSA-N -1 0 368.419 -0.152 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCCCC2)o1 ZINC000919672374 660204722 /nfs/dbraw/zinc/20/47/22/660204722.db2.gz BHWZJWONTRAAMT-UHFFFAOYSA-N -1 0 365.433 -0.010 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)N2CCCCC2)CC1 ZINC000919672643 660204732 /nfs/dbraw/zinc/20/47/32/660204732.db2.gz UUOHQQKQOHHWCM-UHFFFAOYSA-N -1 0 367.493 -0.105 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)[N-]S(=O)(=O)N2CCCCC2)c1 ZINC000919672712 660204715 /nfs/dbraw/zinc/20/47/15/660204715.db2.gz ZPIWZBGPXHGVPX-UHFFFAOYSA-N -1 0 364.449 -0.275 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NCCNC(=O)C2CC2)cc2c1OCCO2 ZINC000919722676 660205026 /nfs/dbraw/zinc/20/50/26/660205026.db2.gz PXXQPHDTEMSBIB-UHFFFAOYSA-N -1 0 370.383 -0.040 20 0 FBADRM CCNC(=O)[C@@H](C)NS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000919723046 660205232 /nfs/dbraw/zinc/20/52/32/660205232.db2.gz ZDLKKDRZSZKAQE-MRVPVSSYSA-N -1 0 358.372 -0.041 20 0 FBADRM CCNC(=O)[C@H](C)NS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000919723047 660205122 /nfs/dbraw/zinc/20/51/22/660205122.db2.gz ZDLKKDRZSZKAQE-QMMMGPOBSA-N -1 0 358.372 -0.041 20 0 FBADRM CCN(CC(=O)NC)S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000919725189 660205291 /nfs/dbraw/zinc/20/52/91/660205291.db2.gz OVNSFJTYCHFGDP-UHFFFAOYSA-N -1 0 358.372 -0.087 20 0 FBADRM CCNC(=O)CN(C)S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000919728768 660204947 /nfs/dbraw/zinc/20/49/47/660204947.db2.gz JNTHCUMSNOPNOK-UHFFFAOYSA-N -1 0 358.372 -0.087 20 0 FBADRM CN(C)C(=O)CCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000919930915 660206249 /nfs/dbraw/zinc/20/62/49/660206249.db2.gz JNMQINXVVVVHPD-UHFFFAOYSA-N -1 0 371.415 -0.352 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CC(O)(c3ncnn3C)C2)c1 ZINC000919989742 660207037 /nfs/dbraw/zinc/20/70/37/660207037.db2.gz LCHNLARVWCRGSA-DEOSSOPVSA-N -1 0 350.400 -0.339 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CC(O)(c3ncnn3C)C2)c1 ZINC000919989744 660206913 /nfs/dbraw/zinc/20/69/13/660206913.db2.gz LCHNLARVWCRGSA-XMMPIXPASA-N -1 0 350.400 -0.339 20 0 FBADRM CCS(=O)(CC)=NS(=O)(=O)NCCN1CCC2(C1)OCCO2 ZINC000920093613 660207556 /nfs/dbraw/zinc/20/75/56/660207556.db2.gz SRFNVKUFUMPFKE-UHFFFAOYSA-N -1 0 355.482 -0.223 20 0 FBADRM O=S(=O)(N=S1(=O)CCCC1)NCCN1CCC2(C1)OCCO2 ZINC000920093869 660207567 /nfs/dbraw/zinc/20/75/67/660207567.db2.gz ZHNVHRXKSLVHPS-UHFFFAOYSA-N -1 0 353.466 -0.469 20 0 FBADRM CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 ZINC000920099933 660207844 /nfs/dbraw/zinc/20/78/44/660207844.db2.gz XDKBJBXAVWOOAH-OYVUYXNMSA-N -1 0 365.411 -0.135 20 0 FBADRM CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 ZINC000920099934 660207817 /nfs/dbraw/zinc/20/78/17/660207817.db2.gz XDKBJBXAVWOOAH-PPGNKHEKSA-N -1 0 365.411 -0.135 20 0 FBADRM CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 ZINC000920099935 660207874 /nfs/dbraw/zinc/20/78/74/660207874.db2.gz XDKBJBXAVWOOAH-XURPKSDJSA-N -1 0 365.411 -0.135 20 0 FBADRM CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 ZINC000920099936 660207847 /nfs/dbraw/zinc/20/78/47/660207847.db2.gz XDKBJBXAVWOOAH-YSKGHYERSA-N -1 0 365.411 -0.135 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)Cn2cc(C(N)=O)c3ccccc32)cn1 ZINC000920105107 660207837 /nfs/dbraw/zinc/20/78/37/660207837.db2.gz SIMMYQOOIUFXPW-UHFFFAOYSA-N -1 0 361.383 -0.021 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1F)C(=O)[O-] ZINC000920309658 660208270 /nfs/dbraw/zinc/20/82/70/660208270.db2.gz JXWZRNUKIZOKLN-VIFPVBQESA-N -1 0 363.319 -0.093 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCCN(CC(N)=O)CC1 ZINC000920449782 660209024 /nfs/dbraw/zinc/20/90/24/660209024.db2.gz PHYPOIWQADTKPR-UHFFFAOYSA-N -1 0 354.432 -0.309 20 0 FBADRM CN1CCN(C(=O)C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)CC1 ZINC000920520157 660209951 /nfs/dbraw/zinc/20/99/51/660209951.db2.gz BLLIZZCGYKJKOP-NRFANRHFSA-N -1 0 354.498 -0.509 20 0 FBADRM CN1CCN(C(=O)C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)CC1 ZINC000920520159 660209879 /nfs/dbraw/zinc/20/98/79/660209879.db2.gz BLLIZZCGYKJKOP-OAQYLSRUSA-N -1 0 354.498 -0.509 20 0 FBADRM CN1CCN(C(=O)C[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)CC1 ZINC000920526726 660209907 /nfs/dbraw/zinc/20/99/07/660209907.db2.gz IGDKWBKWJAYPAK-HSZRJFAPSA-N -1 0 374.488 -0.248 20 0 FBADRM CN1CCN(C(=O)C[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1 ZINC000920526727 660209788 /nfs/dbraw/zinc/20/97/88/660209788.db2.gz IGDKWBKWJAYPAK-QHCPKHFHSA-N -1 0 374.488 -0.248 20 0 FBADRM COCCOCCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000920789227 660211613 /nfs/dbraw/zinc/21/16/13/660211613.db2.gz GEWPLRZCDUJGNG-UHFFFAOYSA-N -1 0 355.376 -0.480 20 0 FBADRM COCCOCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000920790625 660211597 /nfs/dbraw/zinc/21/15/97/660211597.db2.gz CPLKGJXICKHLQG-UHFFFAOYSA-N -1 0 369.403 -0.265 20 0 FBADRM COCCOCCC(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000920790630 660211622 /nfs/dbraw/zinc/21/16/22/660211622.db2.gz DCHHLBVVNHMKDV-UHFFFAOYSA-N -1 0 365.429 -0.052 20 0 FBADRM COCCOCCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000920792915 660211600 /nfs/dbraw/zinc/21/16/00/660211600.db2.gz CPYZYTCMKDKTRR-UHFFFAOYSA-N -1 0 352.409 -0.715 20 0 FBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000920796335 660211611 /nfs/dbraw/zinc/21/16/11/660211611.db2.gz FBECFGOABVTQLC-UHFFFAOYSA-N -1 0 357.207 -0.306 20 0 FBADRM COCc1nc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cs1 ZINC000920838612 660211762 /nfs/dbraw/zinc/21/17/62/660211762.db2.gz HTYSRXADZFVIRY-UHFFFAOYSA-N -1 0 358.401 -0.154 20 0 FBADRM CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000920936121 660212215 /nfs/dbraw/zinc/21/22/15/660212215.db2.gz IPTFTLAJSCCPNQ-UHFFFAOYSA-N -1 0 371.415 -0.354 20 0 FBADRM COc1cc(CCC(=O)NCC(=O)NCC(=O)[O-])cc(OC)c1OC ZINC000920937666 660211990 /nfs/dbraw/zinc/21/19/90/660211990.db2.gz JGNHDVMPHRSHPE-UHFFFAOYSA-N -1 0 354.359 -0.038 20 0 FBADRM O=C([O-])CNC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000920937749 660211963 /nfs/dbraw/zinc/21/19/63/660211963.db2.gz MBWZMSLWIHWFSH-UHFFFAOYSA-N -1 0 369.399 -0.598 20 0 FBADRM O=C(Nc1nnn[n-]1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000920972357 660212225 /nfs/dbraw/zinc/21/22/25/660212225.db2.gz CXOUXRKNZKDELC-UHFFFAOYSA-N -1 0 356.339 -0.388 20 0 FBADRM C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000921134598 660212832 /nfs/dbraw/zinc/21/28/32/660212832.db2.gz XNGFUMIOSULIBG-NXEZZACHSA-N -1 0 359.404 -0.487 20 0 FBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000921134601 660212825 /nfs/dbraw/zinc/21/28/25/660212825.db2.gz XNGFUMIOSULIBG-UWVGGRQHSA-N -1 0 359.404 -0.487 20 0 FBADRM C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000921134602 660212835 /nfs/dbraw/zinc/21/28/35/660212835.db2.gz XNGFUMIOSULIBG-VHSXEESVSA-N -1 0 359.404 -0.487 20 0 FBADRM C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000921134604 660212812 /nfs/dbraw/zinc/21/28/12/660212812.db2.gz XNGFUMIOSULIBG-ZJUUUORDSA-N -1 0 359.404 -0.487 20 0 FBADRM CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000921234660 660213283 /nfs/dbraw/zinc/21/32/83/660213283.db2.gz QIWJAJXIXCRDHF-UHFFFAOYSA-N -1 0 358.372 -0.430 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)NCCNC(=O)C2CC2)cc1 ZINC000921234700 660213248 /nfs/dbraw/zinc/21/32/48/660213248.db2.gz FHACKUIPULHUBW-UHFFFAOYSA-N -1 0 369.399 -0.695 20 0 FBADRM CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000921234893 660213238 /nfs/dbraw/zinc/21/32/38/660213238.db2.gz NPIORXIBXFLDKZ-SECBINFHSA-N -1 0 357.388 -0.696 20 0 FBADRM CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000921234894 660213241 /nfs/dbraw/zinc/21/32/41/660213241.db2.gz NPIORXIBXFLDKZ-VIFPVBQESA-N -1 0 357.388 -0.696 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CCC(=O)NCC23COC3)c1 ZINC000921795107 660427440 /nfs/dbraw/zinc/42/74/40/660427440.db2.gz UPDPQOSZDOWMAH-DEOSSOPVSA-N -1 0 352.412 -0.080 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CCC(=O)NCC23COC3)c1 ZINC000921795108 660427423 /nfs/dbraw/zinc/42/74/23/660427423.db2.gz UPDPQOSZDOWMAH-XMMPIXPASA-N -1 0 352.412 -0.080 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC(=O)NCC12COC2 ZINC000921798310 660427770 /nfs/dbraw/zinc/42/77/70/660427770.db2.gz AYEYJQHHWWSDHT-JTQLQIEISA-N -1 0 351.325 -0.193 20 0 FBADRM CN(C)S(=O)(=O)CCS(=O)(=O)[N-][C@@H]([C@@H]1CCOC1)C(F)(F)F ZINC000921858116 660436091 /nfs/dbraw/zinc/43/60/91/660436091.db2.gz XCISJWZIBHOMKG-BDAKNGLRSA-N -1 0 368.399 -0.235 20 0 FBADRM CN(C)S(=O)(=O)CCS(=O)(=O)[N-][C@H]([C@H]1CCOC1)C(F)(F)F ZINC000921858123 660436099 /nfs/dbraw/zinc/43/60/99/660436099.db2.gz XCISJWZIBHOMKG-DTWKUNHWSA-N -1 0 368.399 -0.235 20 0 FBADRM CN(C)S(=O)(=O)CCS(=O)(=O)[N-][C@@H]([C@H]1CCOC1)C(F)(F)F ZINC000921858125 660436076 /nfs/dbraw/zinc/43/60/76/660436076.db2.gz XCISJWZIBHOMKG-IUCAKERBSA-N -1 0 368.399 -0.235 20 0 FBADRM CN(C)S(=O)(=O)CCS(=O)(=O)[N-][C@H]([C@@H]1CCOC1)C(F)(F)F ZINC000921858126 660436088 /nfs/dbraw/zinc/43/60/88/660436088.db2.gz XCISJWZIBHOMKG-RKDXNWHRSA-N -1 0 368.399 -0.235 20 0 FBADRM CO[N-]C(=O)CNC(=O)NCc1nn(C)cc1I ZINC000922754757 660470036 /nfs/dbraw/zinc/47/00/36/660470036.db2.gz MRQOSNFEFODBGE-UHFFFAOYSA-N -1 0 367.147 -0.499 20 0 FBADRM CO[N-]C(=O)CNC(=O)NCc1c(I)cnn1C ZINC000923944091 661635698 /nfs/dbraw/zinc/63/56/98/661635698.db2.gz IFIHPBAUOOKFKZ-UHFFFAOYSA-N -1 0 367.147 -0.499 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C3CCOCC3)C2)CCO1 ZINC000926271280 661645397 /nfs/dbraw/zinc/64/53/97/661645397.db2.gz HSWINFPUZUGQFD-KBPBESRZSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C3CCOCC3)C2)CCO1 ZINC000926271285 661645424 /nfs/dbraw/zinc/64/54/24/661645424.db2.gz HSWINFPUZUGQFD-KGLIPLIRSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C3CCOCC3)C2)CCO1 ZINC000926271289 661645369 /nfs/dbraw/zinc/64/53/69/661645369.db2.gz HSWINFPUZUGQFD-UONOGXRCSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C3CCOCC3)C2)CCO1 ZINC000926271294 661645407 /nfs/dbraw/zinc/64/54/07/661645407.db2.gz HSWINFPUZUGQFD-ZIAGYGMSSA-N -1 0 354.403 -0.036 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCS[C@@H](C(F)(F)F)C2)CCO1 ZINC000926271913 661645400 /nfs/dbraw/zinc/64/54/00/661645400.db2.gz JDOPTGRNUQCFFT-HTQZYQBOSA-N -1 0 356.322 -0.195 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCS[C@@H](C(F)(F)F)C2)CCO1 ZINC000926271914 661645395 /nfs/dbraw/zinc/64/53/95/661645395.db2.gz JDOPTGRNUQCFFT-JGVFFNPUSA-N -1 0 356.322 -0.195 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCS[C@H](C(F)(F)F)C2)CCO1 ZINC000926271915 657476757 /nfs/dbraw/zinc/47/67/57/657476757.db2.gz JDOPTGRNUQCFFT-SFYZADRCSA-N -1 0 356.322 -0.195 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCS[C@H](C(F)(F)F)C2)CCO1 ZINC000926271916 657476680 /nfs/dbraw/zinc/47/66/80/657476680.db2.gz JDOPTGRNUQCFFT-YUMQZZPRSA-N -1 0 356.322 -0.195 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCOC[C@@H]1CC1CC1)C2 ZINC000926276965 661645421 /nfs/dbraw/zinc/64/54/21/661645421.db2.gz NKYYFGMJHZPAFW-IIYDPXPESA-N -1 0 352.387 -0.427 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCOC[C@H]1CC1CC1)C2 ZINC000926276966 661645453 /nfs/dbraw/zinc/64/54/53/661645453.db2.gz NKYYFGMJHZPAFW-PBFPGSCMSA-N -1 0 352.387 -0.427 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCOC[C@H]2CC2CC2)C1 ZINC000926276991 661645448 /nfs/dbraw/zinc/64/54/48/661645448.db2.gz OCWOCFYGFTWZHM-CXAGYDPISA-N -1 0 354.403 -0.036 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCOC[C@H]2CC2CC2)C1 ZINC000926276992 661645412 /nfs/dbraw/zinc/64/54/12/661645412.db2.gz OCWOCFYGFTWZHM-DYVFJYSZSA-N -1 0 354.403 -0.036 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCOC[C@@H]2CC2CC2)C1 ZINC000926276993 661645384 /nfs/dbraw/zinc/64/53/84/661645384.db2.gz OCWOCFYGFTWZHM-GUYCJALGSA-N -1 0 354.403 -0.036 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCOC[C@@H]2CC2CC2)C1 ZINC000926276994 661645364 /nfs/dbraw/zinc/64/53/64/661645364.db2.gz OCWOCFYGFTWZHM-SUMWQHHRSA-N -1 0 354.403 -0.036 20 0 FBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCN(CCOC)CC2)C1 ZINC000926291578 661645815 /nfs/dbraw/zinc/64/58/15/661645815.db2.gz LZICYUZUOZCMIN-KRWDZBQOSA-N -1 0 355.435 -0.120 20 0 FBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCN(CCOC)CC2)C1 ZINC000926291579 661645779 /nfs/dbraw/zinc/64/57/79/661645779.db2.gz LZICYUZUOZCMIN-QGZVFWFLSA-N -1 0 355.435 -0.120 20 0 FBADRM CC(=O)N1CCCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC000926291979 661645826 /nfs/dbraw/zinc/64/58/26/661645826.db2.gz QWPZXTHBVCNUCC-UONOGXRCSA-N -1 0 351.403 -0.364 20 0 FBADRM COCCN1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC000926292190 661645786 /nfs/dbraw/zinc/64/57/86/661645786.db2.gz UUIUHHTYJVDRRI-UONOGXRCSA-N -1 0 353.419 -0.654 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCN(CC(F)F)CC2)C[C@H]1C1CC1 ZINC000926318590 661646603 /nfs/dbraw/zinc/64/66/03/661646603.db2.gz ALPUWIYETMRFQX-NWDGAFQWSA-N -1 0 359.373 -0.035 20 0 FBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N(C)CCN2CCOCC2)C1 ZINC000926325897 661646323 /nfs/dbraw/zinc/64/63/23/661646323.db2.gz DXINXPAFAJVIEL-KRWDZBQOSA-N -1 0 355.435 -0.120 20 0 FBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N(C)CCN2CCOCC2)C1 ZINC000926325898 661646520 /nfs/dbraw/zinc/64/65/20/661646520.db2.gz DXINXPAFAJVIEL-QGZVFWFLSA-N -1 0 355.435 -0.120 20 0 FBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000926338302 661647529 /nfs/dbraw/zinc/64/75/29/661647529.db2.gz DFQCLKQDOTWRFQ-KRWDZBQOSA-N -1 0 351.403 -0.077 20 0 FBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000926338304 661647626 /nfs/dbraw/zinc/64/76/26/661647626.db2.gz DFQCLKQDOTWRFQ-QGZVFWFLSA-N -1 0 351.403 -0.077 20 0 FBADRM CC(C)N1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1=O ZINC000926340030 661647823 /nfs/dbraw/zinc/64/78/23/661647823.db2.gz VIMGRFBNWZKEBF-QWHCGFSZSA-N -1 0 351.403 -0.365 20 0 FBADRM CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)[C@H](C)C1 ZINC000926341368 661647837 /nfs/dbraw/zinc/64/78/37/661647837.db2.gz FVPSABIIVCLDJZ-DDTOSNHZSA-N -1 0 351.403 -0.365 20 0 FBADRM CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)[C@@H](C)C1 ZINC000926341370 661647937 /nfs/dbraw/zinc/64/79/37/661647937.db2.gz FVPSABIIVCLDJZ-LEWSCRJBSA-N -1 0 351.403 -0.365 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCCC3(C2)OCCO3)C[C@H]1C1CC1 ZINC000926344781 661647947 /nfs/dbraw/zinc/64/79/47/661647947.db2.gz YGEYQUZVMDHDNQ-QWHCGFSZSA-N -1 0 352.387 -0.079 20 0 FBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)C1 ZINC000926344802 661647800 /nfs/dbraw/zinc/64/78/00/661647800.db2.gz YOYKSRKMCUXUBW-CXAGYDPISA-N -1 0 353.419 -0.367 20 0 FBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)C1 ZINC000926344804 661647935 /nfs/dbraw/zinc/64/79/35/661647935.db2.gz YOYKSRKMCUXUBW-DYVFJYSZSA-N -1 0 353.419 -0.367 20 0 FBADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)C1 ZINC000926344806 661647929 /nfs/dbraw/zinc/64/79/29/661647929.db2.gz YOYKSRKMCUXUBW-GUYCJALGSA-N -1 0 353.419 -0.367 20 0 FBADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)C1 ZINC000926344808 661647804 /nfs/dbraw/zinc/64/78/04/661647804.db2.gz YOYKSRKMCUXUBW-SUMWQHHRSA-N -1 0 353.419 -0.367 20 0 FBADRM COC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C[C@H](C)O1 ZINC000926354664 661648541 /nfs/dbraw/zinc/64/85/41/661648541.db2.gz VVKMEJNDTUDJGL-AHLTXXRQSA-N -1 0 354.403 -0.182 20 0 FBADRM COC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C[C@H](C)O1 ZINC000926354665 661648433 /nfs/dbraw/zinc/64/84/33/661648433.db2.gz VVKMEJNDTUDJGL-DOERSZECSA-N -1 0 354.403 -0.182 20 0 FBADRM COC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C[C@@H](C)O1 ZINC000926354666 661648385 /nfs/dbraw/zinc/64/83/85/661648385.db2.gz VVKMEJNDTUDJGL-RUZUBIRVSA-N -1 0 354.403 -0.182 20 0 FBADRM COC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C[C@@H](C)O1 ZINC000926354667 661648812 /nfs/dbraw/zinc/64/88/12/661648812.db2.gz VVKMEJNDTUDJGL-VZZFWQQMSA-N -1 0 354.403 -0.182 20 0 FBADRM CCN1CCCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1=O ZINC000926359464 661648855 /nfs/dbraw/zinc/64/88/55/661648855.db2.gz AWZVFLGSUZKTIQ-QWHCGFSZSA-N -1 0 351.403 -0.364 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCSC[C@H]2CCO)C[C@H]1C1CC1 ZINC000926364321 661649165 /nfs/dbraw/zinc/64/91/65/661649165.db2.gz MBBCTXKZQHZQRC-FRRDWIJNSA-N -1 0 356.444 -0.118 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCSC[C@@H]2CCO)C[C@H]1C1CC1 ZINC000926364323 661649157 /nfs/dbraw/zinc/64/91/57/661649157.db2.gz MBBCTXKZQHZQRC-RWMBFGLXSA-N -1 0 356.444 -0.118 20 0 FBADRM CCOC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CCO1 ZINC000926392687 661650398 /nfs/dbraw/zinc/65/03/98/661650398.db2.gz ZKVPPJLZMGINEZ-HZSPNIEDSA-N -1 0 354.403 -0.181 20 0 FBADRM CCOC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CCO1 ZINC000926392688 661650208 /nfs/dbraw/zinc/65/02/08/661650208.db2.gz ZKVPPJLZMGINEZ-MELADBBJSA-N -1 0 354.403 -0.181 20 0 FBADRM CO[C@H]1COCC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000926407553 661651021 /nfs/dbraw/zinc/65/10/21/661651021.db2.gz YOEJDQJJBSCDDC-CRWXNKLISA-N -1 0 354.403 -0.182 20 0 FBADRM CO[C@H]1COCC[C@H]1N(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000926407556 661650962 /nfs/dbraw/zinc/65/09/62/661650962.db2.gz YOEJDQJJBSCDDC-DGAVXFQQSA-N -1 0 354.403 -0.182 20 0 FBADRM CO[C@@H]1COCC[C@H]1N(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000926407559 661651017 /nfs/dbraw/zinc/65/10/17/661651017.db2.gz YOEJDQJJBSCDDC-REWJHTLYSA-N -1 0 354.403 -0.182 20 0 FBADRM CO[C@@H]1COCC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000926407562 661651042 /nfs/dbraw/zinc/65/10/42/661651042.db2.gz YOEJDQJJBSCDDC-RFQIPJPRSA-N -1 0 354.403 -0.182 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)cc1F ZINC000926523543 661652258 /nfs/dbraw/zinc/65/22/58/661652258.db2.gz DNVTVAWIJDYTSB-LLVKDONJSA-N -1 0 373.406 -0.433 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)cc1F ZINC000926523544 661652265 /nfs/dbraw/zinc/65/22/65/661652265.db2.gz DNVTVAWIJDYTSB-NSHDSACASA-N -1 0 373.406 -0.433 20 0 FBADRM O=C([O-])CN1CCN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1 ZINC000926581881 661652588 /nfs/dbraw/zinc/65/25/88/661652588.db2.gz HHLGUDHBJMLWGC-UHFFFAOYSA-N -1 0 359.448 -0.581 20 0 FBADRM O=C([O-])CN1CCN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CC1 ZINC000926582687 661652639 /nfs/dbraw/zinc/65/26/39/661652639.db2.gz PBSVQHITXFAKON-UHFFFAOYSA-N -1 0 367.427 -0.457 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000927203659 661655014 /nfs/dbraw/zinc/65/50/14/661655014.db2.gz AJIBKUKLUSIFAO-UHFFFAOYSA-N -1 0 355.439 -0.606 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000927205736 661655166 /nfs/dbraw/zinc/65/51/66/661655166.db2.gz ULWZSYVZLFEXGE-CYBMUJFWSA-N -1 0 355.439 -0.608 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000927205738 661655119 /nfs/dbraw/zinc/65/51/19/661655119.db2.gz ULWZSYVZLFEXGE-ZDUSSCGKSA-N -1 0 355.439 -0.608 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000927207925 661655010 /nfs/dbraw/zinc/65/50/10/661655010.db2.gz NPPZJALYFJANJJ-UHFFFAOYSA-N -1 0 352.366 -0.100 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000927209352 661655084 /nfs/dbraw/zinc/65/50/84/661655084.db2.gz YTCSXXSAHAVTSR-UHFFFAOYSA-N -1 0 356.345 -0.040 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000927210677 661655126 /nfs/dbraw/zinc/65/51/26/661655126.db2.gz FYOXBTSOLGZSKI-UHFFFAOYSA-N -1 0 355.439 -0.750 20 0 FBADRM CO[N-]C(=O)CNC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000927217358 661655067 /nfs/dbraw/zinc/65/50/67/661655067.db2.gz NCEBHGDZDJNAGI-STQMWFEESA-N -1 0 356.402 -0.349 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000927217475 659998938 /nfs/dbraw/zinc/99/89/38/659998938.db2.gz WWYIJPFLRHBWTO-BDAKNGLRSA-N -1 0 352.313 -0.284 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000927217476 659998906 /nfs/dbraw/zinc/99/89/06/659998906.db2.gz WWYIJPFLRHBWTO-DTWKUNHWSA-N -1 0 352.313 -0.284 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000927217477 659998947 /nfs/dbraw/zinc/99/89/47/659998947.db2.gz WWYIJPFLRHBWTO-IUCAKERBSA-N -1 0 352.313 -0.284 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000927217478 659998936 /nfs/dbraw/zinc/99/89/36/659998936.db2.gz WWYIJPFLRHBWTO-RKDXNWHRSA-N -1 0 352.313 -0.284 20 0 FBADRM CC[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000927952430 661658646 /nfs/dbraw/zinc/65/86/46/661658646.db2.gz BLLXMLWNJGMDMM-KBPBESRZSA-N -1 0 355.435 -0.073 20 0 FBADRM CC[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000927952431 661658719 /nfs/dbraw/zinc/65/87/19/661658719.db2.gz BLLXMLWNJGMDMM-KGLIPLIRSA-N -1 0 355.435 -0.073 20 0 FBADRM CC[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000927952432 661658751 /nfs/dbraw/zinc/65/87/51/661658751.db2.gz BLLXMLWNJGMDMM-UONOGXRCSA-N -1 0 355.435 -0.073 20 0 FBADRM CC[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000927952433 661658716 /nfs/dbraw/zinc/65/87/16/661658716.db2.gz BLLXMLWNJGMDMM-ZIAGYGMSSA-N -1 0 355.435 -0.073 20 0 FBADRM CC[C@H](CN1CCOCC1)NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000927953835 661658707 /nfs/dbraw/zinc/65/87/07/661658707.db2.gz QOLAZIIPKKPWKV-BFHYXJOUSA-N -1 0 355.435 -0.217 20 0 FBADRM CC[C@H](CN1CCOCC1)NC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000927953836 661658659 /nfs/dbraw/zinc/65/86/59/661658659.db2.gz QOLAZIIPKKPWKV-HZSPNIEDSA-N -1 0 355.435 -0.217 20 0 FBADRM CC[C@H](CN1CCOCC1)NC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000927953837 661658721 /nfs/dbraw/zinc/65/87/21/661658721.db2.gz QOLAZIIPKKPWKV-MELADBBJSA-N -1 0 355.435 -0.217 20 0 FBADRM CC[C@H](CN1CCOCC1)NC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000927953838 661658679 /nfs/dbraw/zinc/65/86/79/661658679.db2.gz QOLAZIIPKKPWKV-MGPQQGTHSA-N -1 0 355.435 -0.217 20 0 FBADRM CC[C@H](CN1CCOCC1)NC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000927954179 661658663 /nfs/dbraw/zinc/65/86/63/661658663.db2.gz WRQDFYXFJGIGIB-BFHYXJOUSA-N -1 0 355.435 -0.217 20 0 FBADRM CC[C@H](CN1CCOCC1)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000927954181 661658765 /nfs/dbraw/zinc/65/87/65/661658765.db2.gz WRQDFYXFJGIGIB-MCIONIFRSA-N -1 0 355.435 -0.217 20 0 FBADRM CC[C@H](CN1CCOCC1)NC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000927954182 661658735 /nfs/dbraw/zinc/65/87/35/661658735.db2.gz WRQDFYXFJGIGIB-MGPQQGTHSA-N -1 0 355.435 -0.217 20 0 FBADRM CC[C@H](CN1CCOCC1)NC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000927954184 661658635 /nfs/dbraw/zinc/65/86/35/661658635.db2.gz WRQDFYXFJGIGIB-MJBXVCDLSA-N -1 0 355.435 -0.217 20 0 FBADRM CC[C@@H](CNC(=O)C(=O)N(CCN1CCOCC1)CC1CC1)C(=O)[O-] ZINC000927956478 661658708 /nfs/dbraw/zinc/65/87/08/661658708.db2.gz CXVYCKIWBBAAMD-AWEZNQCLSA-N -1 0 355.435 -0.216 20 0 FBADRM CC[C@H](CNC(=O)C(=O)N(CCN1CCOCC1)CC1CC1)C(=O)[O-] ZINC000927956479 661658750 /nfs/dbraw/zinc/65/87/50/661658750.db2.gz CXVYCKIWBBAAMD-CQSZACIVSA-N -1 0 355.435 -0.216 20 0 FBADRM CC[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1CN1CCOCC1)C(=O)[O-] ZINC000927961091 661658606 /nfs/dbraw/zinc/65/86/06/661658606.db2.gz PVPBOYYAUVYLRU-KBPBESRZSA-N -1 0 355.435 -0.073 20 0 FBADRM CC[C@H](CNC(=O)C(=O)N1CCCC[C@H]1CN1CCOCC1)C(=O)[O-] ZINC000927961092 661658667 /nfs/dbraw/zinc/65/86/67/661658667.db2.gz PVPBOYYAUVYLRU-KGLIPLIRSA-N -1 0 355.435 -0.073 20 0 FBADRM CC[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1CN1CCOCC1)C(=O)[O-] ZINC000927961093 661658767 /nfs/dbraw/zinc/65/87/67/661658767.db2.gz PVPBOYYAUVYLRU-UONOGXRCSA-N -1 0 355.435 -0.073 20 0 FBADRM CC[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1CN1CCOCC1)C(=O)[O-] ZINC000927961094 661658752 /nfs/dbraw/zinc/65/87/52/661658752.db2.gz PVPBOYYAUVYLRU-ZIAGYGMSSA-N -1 0 355.435 -0.073 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NC[C@@H]1C[C@H]1C(F)(F)F)C2 ZINC000927964557 661659078 /nfs/dbraw/zinc/65/90/78/661659078.db2.gz ZPQZQQFJPKLCMH-XHGVETGHSA-N -1 0 350.293 -0.139 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2CCN(CC(=O)N(C)C)CC2)cc1=O ZINC000929384475 661664932 /nfs/dbraw/zinc/66/49/32/661664932.db2.gz GDVZQYXUCQZMEM-UHFFFAOYSA-N -1 0 351.451 -0.393 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2CCCN(S(C)(=O)=O)CC2)cc1=O ZINC000929809092 661669546 /nfs/dbraw/zinc/66/95/46/661669546.db2.gz XXBALPCAWYDFMN-UHFFFAOYSA-N -1 0 358.464 -0.131 20 0 FBADRM CCNC(=O)CN1CCN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)CC1 ZINC000929885411 661670993 /nfs/dbraw/zinc/67/09/93/661670993.db2.gz ZSRRKWNJNGFJOZ-UHFFFAOYSA-N -1 0 351.451 -0.345 20 0 FBADRM O=C(c1cccc(F)c1[O-])N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000929889065 661671250 /nfs/dbraw/zinc/67/12/50/661671250.db2.gz IWLQDHUYEDDNFV-UHFFFAOYSA-N -1 0 373.406 -0.134 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1=O ZINC000929994938 661673083 /nfs/dbraw/zinc/67/30/83/661673083.db2.gz LUJQUTUJCWIDDN-UHFFFAOYSA-N -1 0 373.479 -0.675 20 0 FBADRM CC(=O)N1CCN(CCNC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)CC1 ZINC000930241912 661676599 /nfs/dbraw/zinc/67/65/99/661676599.db2.gz MLMPLCSMVDVSCG-UHFFFAOYSA-N -1 0 351.451 -0.345 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)c2cc(F)cc(F)c2[O-])CC1 ZINC000930531062 661679902 /nfs/dbraw/zinc/67/99/02/661679902.db2.gz GORLOJRKEZZHOK-UHFFFAOYSA-N -1 0 363.386 -0.023 20 0 FBADRM COC(OC)C(=O)N1CCN(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000930956259 661684102 /nfs/dbraw/zinc/68/41/02/661684102.db2.gz ROVQDWNYGXADFO-UHFFFAOYSA-N -1 0 351.403 -0.003 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)CC1 ZINC000931228319 661687458 /nfs/dbraw/zinc/68/74/58/661687458.db2.gz DMMICVGCXSEDHO-UHFFFAOYSA-N -1 0 358.464 -0.131 20 0 FBADRM O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cccc(F)c1[O-] ZINC000931348317 661688740 /nfs/dbraw/zinc/68/87/40/661688740.db2.gz XIZQZQVQCOKLPK-CHWSQXEVSA-N -1 0 358.391 -0.241 20 0 FBADRM O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cccc(F)c1[O-] ZINC000931348321 661688718 /nfs/dbraw/zinc/68/87/18/661688718.db2.gz XIZQZQVQCOKLPK-OLZOCXBDSA-N -1 0 358.391 -0.241 20 0 FBADRM O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cccc(F)c1[O-] ZINC000931348323 661688704 /nfs/dbraw/zinc/68/87/04/661688704.db2.gz XIZQZQVQCOKLPK-QWHCGFSZSA-N -1 0 358.391 -0.241 20 0 FBADRM O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cccc(F)c1[O-] ZINC000931348325 661688736 /nfs/dbraw/zinc/68/87/36/661688736.db2.gz XIZQZQVQCOKLPK-STQMWFEESA-N -1 0 358.391 -0.241 20 0 FBADRM CO[N-]C(=O)CNC(=O)CNS(=O)(=O)c1ccc2ccccc2c1 ZINC000931796593 661694014 /nfs/dbraw/zinc/69/40/14/661694014.db2.gz PBTWTHRKWWYVEF-UHFFFAOYSA-N -1 0 351.384 -0.088 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)NCCC(=O)N2CCN(C)CC2)cc1=O ZINC000932698706 661710515 /nfs/dbraw/zinc/71/05/15/661710515.db2.gz BDOBWOBRDMBJKF-UHFFFAOYSA-N -1 0 351.451 -0.345 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2CCN(CC[S@](C)=O)CC2)cc1=O ZINC000933405595 657443990 /nfs/dbraw/zinc/44/39/90/657443990.db2.gz RABIFEHTGHPSQI-DEOSSOPVSA-N -1 0 356.492 -0.102 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2CCN(CC[S@@](C)=O)CC2)cc1=O ZINC000933405598 657444019 /nfs/dbraw/zinc/44/40/19/657444019.db2.gz RABIFEHTGHPSQI-XMMPIXPASA-N -1 0 356.492 -0.102 20 0 FBADRM O=S1(=O)C[C@H]2CN(CC3=Nc4ccccc4S(=O)(=O)[N-]3)C[C@H]2C1 ZINC000933723474 661720477 /nfs/dbraw/zinc/72/04/77/661720477.db2.gz FYJOEDAAXCTLOR-PHIMTYICSA-N -1 0 355.441 -0.015 20 0 FBADRM CO[N-]C(=O)CNC(=O)Nc1cnn(C)c1I ZINC000933742631 661720866 /nfs/dbraw/zinc/72/08/66/661720866.db2.gz ADOBSJUDRYZCAP-UHFFFAOYSA-N -1 0 353.120 -0.176 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N(C)C[C@H](O)CN2CCOCC2)cc1=O ZINC000934321547 657517475 /nfs/dbraw/zinc/51/74/75/657517475.db2.gz CZONLQUZJBSHIT-HNNXBMFYSA-N -1 0 354.451 -0.474 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N(C)C[C@@H](O)CN2CCOCC2)cc1=O ZINC000934321548 657517901 /nfs/dbraw/zinc/51/79/01/657517901.db2.gz CZONLQUZJBSHIT-OAHLLOKOSA-N -1 0 354.451 -0.474 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N(CCO)CCN2CCOCC2)cc1=O ZINC000934973459 661725818 /nfs/dbraw/zinc/72/58/18/661725818.db2.gz NDEYXJNPBRULEY-UHFFFAOYSA-N -1 0 354.451 -0.472 20 0 FBADRM O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000935036408 661726007 /nfs/dbraw/zinc/72/60/07/661726007.db2.gz CDIKUJNDULOLKA-MCIONIFRSA-N -1 0 350.423 -0.215 20 0 FBADRM O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000935036409 661726147 /nfs/dbraw/zinc/72/61/47/661726147.db2.gz CDIKUJNDULOLKA-MJBXVCDLSA-N -1 0 350.423 -0.215 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1=O ZINC000935261575 661727384 /nfs/dbraw/zinc/72/73/84/661727384.db2.gz WCFYEZUGOSXIIA-LBPRGKRZSA-N -1 0 358.464 -0.133 20 0 FBADRM O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCSC[C@H]1c1nnn[n-]1 ZINC000935455810 661728356 /nfs/dbraw/zinc/72/83/56/661728356.db2.gz GNZLAPQMXALMSV-AGIUHOORSA-N -1 0 368.463 -0.304 20 0 FBADRM O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000935455815 661728595 /nfs/dbraw/zinc/72/85/95/661728595.db2.gz GNZLAPQMXALMSV-UPJWGTAASA-N -1 0 368.463 -0.304 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000936109293 658361203 /nfs/dbraw/zinc/36/12/03/658361203.db2.gz BBRAHWVEDGDOJC-FOGDFJRCSA-N -1 0 350.375 -0.758 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](NC(=O)c3cnc([O-])n(C)c3=O)C2)O1 ZINC000936212412 658475283 /nfs/dbraw/zinc/47/52/83/658475283.db2.gz GHPQIXQGKSLAHX-CKYFFXLPSA-N -1 0 350.375 -0.616 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2OCCO[C@H]2C)c1[O-] ZINC000936895239 658913774 /nfs/dbraw/zinc/91/37/74/658913774.db2.gz KTNHKUQWHBHNLH-RMIALFOJSA-N -1 0 350.375 -0.347 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H](N(C)C(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000937165574 658923582 /nfs/dbraw/zinc/92/35/82/658923582.db2.gz HSDDSZJPEWSPSZ-MJVIPROJSA-N -1 0 352.391 -0.099 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)C(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000937165575 658923418 /nfs/dbraw/zinc/92/34/18/658923418.db2.gz HSDDSZJPEWSPSZ-WDMOLILDSA-N -1 0 352.391 -0.099 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)c1[O-] ZINC000937829535 659951854 /nfs/dbraw/zinc/95/18/54/659951854.db2.gz SWJACADTKIPMHE-ADEWGFFLSA-N -1 0 351.407 -0.526 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938178154 659988448 /nfs/dbraw/zinc/98/84/48/659988448.db2.gz FEWHOZZRKYBQOL-YWVKMMECSA-N -1 0 351.363 -0.571 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938179481 659988547 /nfs/dbraw/zinc/98/85/47/659988547.db2.gz WNHQMWOYGVWJNK-SCVCMEIPSA-N -1 0 353.379 -0.779 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)c1[O-] ZINC000938182818 659988867 /nfs/dbraw/zinc/98/88/67/659988867.db2.gz QMXCRQGQYKDTSW-ADEWGFFLSA-N -1 0 351.407 -0.526 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938348565 660217983 /nfs/dbraw/zinc/21/79/83/660217983.db2.gz BQVTZBYHFBMDKS-YWVKMMECSA-N -1 0 351.363 -0.571 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938350008 660217985 /nfs/dbraw/zinc/21/79/85/660217985.db2.gz NUUJUJHDSXSYSN-AEJSXWLSSA-N -1 0 351.363 -0.571 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938388370 660218256 /nfs/dbraw/zinc/21/82/56/660218256.db2.gz QTFCSKJATHKYLT-SCVCMEIPSA-N -1 0 353.379 -0.779 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938389082 660218185 /nfs/dbraw/zinc/21/81/85/660218185.db2.gz PUWKDRDXHMSFFC-AXFHLTTASA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000938399849 660218148 /nfs/dbraw/zinc/21/81/48/660218148.db2.gz BBRAHWVEDGDOJC-SCVCMEIPSA-N -1 0 350.375 -0.758 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@H](NC(=O)c3cnc([O-])n(C)c3=O)C2)O1 ZINC000938399946 660218228 /nfs/dbraw/zinc/21/82/28/660218228.db2.gz GHPQIXQGKSLAHX-JFGNBEQYSA-N -1 0 350.375 -0.616 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938425132 660218439 /nfs/dbraw/zinc/21/84/39/660218439.db2.gz ABTZFENILHCPBD-AEJSXWLSSA-N -1 0 351.363 -0.571 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938425531 660218462 /nfs/dbraw/zinc/21/84/62/660218462.db2.gz GEJDQKHWJCQNLM-AXFHLTTASA-N -1 0 353.379 -0.779 20 0 FBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(C(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000938756527 660222634 /nfs/dbraw/zinc/22/26/34/660222634.db2.gz QXOSAUXXEDZIGV-MJVIPROJSA-N -1 0 352.391 -0.099 20 0 FBADRM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000938756528 660222623 /nfs/dbraw/zinc/22/26/23/660222623.db2.gz QXOSAUXXEDZIGV-WDMOLILDSA-N -1 0 352.391 -0.099 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000938859366 660224338 /nfs/dbraw/zinc/22/43/38/660224338.db2.gz MZCDIYIVJVOZEK-SCVCMEIPSA-N -1 0 350.375 -0.758 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C2)O1 ZINC000938931304 660224850 /nfs/dbraw/zinc/22/48/50/660224850.db2.gz JAECPXBSKNNKJF-JFGNBEQYSA-N -1 0 350.375 -0.616 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938942056 660224849 /nfs/dbraw/zinc/22/48/49/660224849.db2.gz ANBBFWWTQAEDFY-KKZNHRDASA-N -1 0 351.363 -0.619 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000938942057 660224826 /nfs/dbraw/zinc/22/48/26/660224826.db2.gz ANBBFWWTQAEDFY-YWVKMMECSA-N -1 0 351.363 -0.619 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N(C)[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC000938942690 660224836 /nfs/dbraw/zinc/22/48/36/660224836.db2.gz JNEZVABRXIUBIT-KXUCPTDWSA-N -1 0 351.363 -0.477 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC000938942691 660224859 /nfs/dbraw/zinc/22/48/59/660224859.db2.gz JNEZVABRXIUBIT-OPRDCNLKSA-N -1 0 351.363 -0.477 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)O1 ZINC000938987052 660225398 /nfs/dbraw/zinc/22/53/98/660225398.db2.gz AJSAEHLFCVQOOD-GMTAPVOTSA-N -1 0 353.379 -0.684 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N(C)[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)O1 ZINC000938987053 660225442 /nfs/dbraw/zinc/22/54/42/660225442.db2.gz AJSAEHLFCVQOOD-OUAUKWLOSA-N -1 0 353.379 -0.684 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938987774 660225434 /nfs/dbraw/zinc/22/54/34/660225434.db2.gz RIUWUKCVTBGRDX-FOGDFJRCSA-N -1 0 353.379 -0.826 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000938987775 660225401 /nfs/dbraw/zinc/22/54/01/660225401.db2.gz RIUWUKCVTBGRDX-SCVCMEIPSA-N -1 0 353.379 -0.826 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)c1csc(=O)[nH]1 ZINC000939170242 660228160 /nfs/dbraw/zinc/22/81/60/660228160.db2.gz FXAGUBKNEBYJNQ-PHDIDXHHSA-N -1 0 366.359 -0.665 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)c1csc(=O)[nH]1 ZINC000939175997 660228342 /nfs/dbraw/zinc/22/83/42/660228342.db2.gz OVCCNENEHRHZBH-RNFRBKRXSA-N -1 0 368.375 -0.872 20 0 FBADRM Cc1nc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2C)cs1 ZINC000939292962 660229126 /nfs/dbraw/zinc/22/91/26/660229126.db2.gz WMIOGKBRACBDPF-HTRCEHHLSA-N -1 0 364.387 -0.062 20 0 FBADRM Cc1nc(C(=O)N[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C)cs1 ZINC000939299802 660229073 /nfs/dbraw/zinc/22/90/73/660229073.db2.gz DXURWBKIGJEOEH-VXNVDRBHSA-N -1 0 366.403 -0.269 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)c1nccs1 ZINC000939454255 660230763 /nfs/dbraw/zinc/23/07/63/660230763.db2.gz KVFBRCLZZVBDMJ-HTQZYQBOSA-N -1 0 352.376 -0.577 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)c1nccs1 ZINC000939454750 660230773 /nfs/dbraw/zinc/23/07/73/660230773.db2.gz WUPIBSMBLNUSAJ-RNFRBKRXSA-N -1 0 350.360 -0.370 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)c1nccs1 ZINC000939462610 660230812 /nfs/dbraw/zinc/23/08/12/660230812.db2.gz FRHLTUXCBJTIBF-PSASIEDQSA-N -1 0 363.399 -0.167 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)[C@]1(C)CCOC1 ZINC000939522911 660231223 /nfs/dbraw/zinc/23/12/23/660231223.db2.gz GHNMUMXIMQBAEP-KEMUVXCRSA-N -1 0 351.363 -0.714 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)[C@@]1(C)CCOC1 ZINC000939522912 660231171 /nfs/dbraw/zinc/23/11/71/660231171.db2.gz GHNMUMXIMQBAEP-XWRVAKJBSA-N -1 0 351.363 -0.714 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)[C@@]1(C)CCOC1 ZINC000939523080 660231319 /nfs/dbraw/zinc/23/13/19/660231319.db2.gz KMUUGXAOCOFLJM-FCHSOHFDSA-N -1 0 353.379 -0.921 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)[C@]1(C)CCOC1 ZINC000939523081 660231220 /nfs/dbraw/zinc/23/12/20/660231220.db2.gz KMUUGXAOCOFLJM-IQMDTDKHSA-N -1 0 353.379 -0.921 20 0 FBADRM Cc1nocc1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC000939715270 660233559 /nfs/dbraw/zinc/23/35/59/660233559.db2.gz UUXKWZIHPPXCRB-GMSGAONNSA-N -1 0 350.335 -0.737 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)c1cc(Cl)no1 ZINC000939735641 660233856 /nfs/dbraw/zinc/23/38/56/660233856.db2.gz IZYBMEOVMLUDSU-PHDIDXHHSA-N -1 0 368.737 -0.185 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)c1cc(Cl)no1 ZINC000939735895 660233864 /nfs/dbraw/zinc/23/38/64/660233864.db2.gz UXBPBENLRJGCQJ-RNFRBKRXSA-N -1 0 370.753 -0.392 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000939740872 660233888 /nfs/dbraw/zinc/23/38/88/660233888.db2.gz LSBXUISYMOMMLD-KKZNHRDASA-N -1 0 351.363 -0.619 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000939740873 660233928 /nfs/dbraw/zinc/23/39/28/660233928.db2.gz LSBXUISYMOMMLD-YWVKMMECSA-N -1 0 351.363 -0.619 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000939741275 660233860 /nfs/dbraw/zinc/23/38/60/660233860.db2.gz PNJGIQPSIQKBGY-FOGDFJRCSA-N -1 0 353.379 -0.826 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000939741276 660233894 /nfs/dbraw/zinc/23/38/94/660233894.db2.gz PNJGIQPSIQKBGY-SCVCMEIPSA-N -1 0 353.379 -0.826 20 0 FBADRM Cc1cnoc1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC000939830544 660234597 /nfs/dbraw/zinc/23/45/97/660234597.db2.gz CUXZVNKTTCBYHY-RKDXNWHRSA-N -1 0 350.335 -0.737 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@H](N(C)C(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC000939848343 660235015 /nfs/dbraw/zinc/23/50/15/660235015.db2.gz PMJTVUQHDSIVAG-KXUCPTDWSA-N -1 0 351.363 -0.477 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](N(C)C(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC000939848352 660234988 /nfs/dbraw/zinc/23/49/88/660234988.db2.gz PMJTVUQHDSIVAG-OPRDCNLKSA-N -1 0 351.363 -0.477 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](N(C)C(=O)Cn3c(=O)[n-][nH]c3=O)C2)O1 ZINC000939848414 660235021 /nfs/dbraw/zinc/23/50/21/660235021.db2.gz QPPKGESZADAAEL-GMTAPVOTSA-N -1 0 353.379 -0.684 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@H](N(C)C(=O)Cn3c(=O)[n-][nH]c3=O)C2)O1 ZINC000939848417 660235071 /nfs/dbraw/zinc/23/50/71/660235071.db2.gz QPPKGESZADAAEL-OUAUKWLOSA-N -1 0 353.379 -0.684 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)[C@@H]1CCOC1 ZINC000939853898 660234962 /nfs/dbraw/zinc/23/49/62/660234962.db2.gz IJWPHWMGJBMZRN-CKYFFXLPSA-N -1 0 350.375 -0.901 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C[C@H]1CCOC1 ZINC000939921786 660235503 /nfs/dbraw/zinc/23/55/03/660235503.db2.gz GGHFRWHYHUXFAC-OPRDCNLKSA-N -1 0 351.363 -0.714 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C[C@H]1CCOC1 ZINC000939924783 660235628 /nfs/dbraw/zinc/23/56/28/660235628.db2.gz GFXXYZKHSQAAAS-GMTAPVOTSA-N -1 0 353.379 -0.921 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)c1n[nH]cc1F ZINC000939944837 660235612 /nfs/dbraw/zinc/23/56/12/660235612.db2.gz PAMMZLKAPMZHCG-IYSWYEEDSA-N -1 0 351.298 -0.965 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)c1ccc(Cl)[nH]1 ZINC000939961213 660235910 /nfs/dbraw/zinc/23/59/10/660235910.db2.gz RIVFVDIXZIGDPH-VXNVDRBHSA-N -1 0 368.781 -0.052 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)c1[O-] ZINC000940050549 660236514 /nfs/dbraw/zinc/23/65/14/660236514.db2.gz SWJACADTKIPMHE-YUSALJHKSA-N -1 0 351.407 -0.526 20 0 FBADRM Cc1conc1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC000940203443 660237093 /nfs/dbraw/zinc/23/70/93/660237093.db2.gz DQMWDMHHRIYIBU-VXNVDRBHSA-N -1 0 350.335 -0.737 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC000940363232 660238964 /nfs/dbraw/zinc/23/89/64/660238964.db2.gz MWWLFCNGXWDDQH-CDLYGTGVSA-N -1 0 351.363 -0.716 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC000940363858 660238957 /nfs/dbraw/zinc/23/89/57/660238957.db2.gz ZOWMDQPKTZSHIS-BFLSOPEQSA-N -1 0 353.379 -0.923 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2C)O1 ZINC000940542367 660241303 /nfs/dbraw/zinc/24/13/03/660241303.db2.gz ALLNJZWFAMOEDB-ZYUZMQFOSA-N -1 0 351.363 -0.573 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C)O1 ZINC000940543633 660241294 /nfs/dbraw/zinc/24/12/94/660241294.db2.gz YXPGENCXBWEODM-GWOFURMSSA-N -1 0 353.379 -0.780 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)c1[O-] ZINC000940786164 660242409 /nfs/dbraw/zinc/24/24/09/660242409.db2.gz QNVCCOKHVOPICJ-FZMZJTMJSA-N -1 0 352.391 -0.098 20 0 FBADRM CO[C@@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)C[C@H]1NC(=O)C(F)F ZINC000940940447 660243412 /nfs/dbraw/zinc/24/34/12/660243412.db2.gz VPFBNHFEFPXTCP-RKDXNWHRSA-N -1 0 355.301 -0.757 20 0 FBADRM CO[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)C1CCC1 ZINC000940964696 660244062 /nfs/dbraw/zinc/24/40/62/660244062.db2.gz WVXNDKFSJYGLKF-VXGBXAGGSA-N -1 0 350.375 -0.758 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)C1CCOCC1 ZINC000940972597 660243549 /nfs/dbraw/zinc/24/35/49/660243549.db2.gz QQGSSOLRTBFRCO-VXGBXAGGSA-N -1 0 352.391 -0.194 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C1CCCC1 ZINC000940973294 660243823 /nfs/dbraw/zinc/24/38/23/660243823.db2.gz GDMCRAQYHBJAEP-NXEZZACHSA-N -1 0 351.363 -0.571 20 0 FBADRM CO[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C1CCCC1 ZINC000940974261 660243783 /nfs/dbraw/zinc/24/37/83/660243783.db2.gz WZTBEJRNAPURSJ-GHMZBOCLSA-N -1 0 353.379 -0.779 20 0 FBADRM CO[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)CC1CC1 ZINC000940990591 660244819 /nfs/dbraw/zinc/24/48/19/660244819.db2.gz ZUETZGFIXULJHK-VXGBXAGGSA-N -1 0 350.375 -0.758 20 0 FBADRM CO[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)C(C)(C)F ZINC000941004927 660244918 /nfs/dbraw/zinc/24/49/18/660244918.db2.gz VJADHXHIYQKTCI-NXEZZACHSA-N -1 0 356.354 -0.810 20 0 FBADRM CO[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)C(C)(F)F ZINC000941005743 660245011 /nfs/dbraw/zinc/24/50/11/660245011.db2.gz VKJVZJTUDQFHPC-RKDXNWHRSA-N -1 0 360.317 -0.903 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)c1cccs1 ZINC000941090036 660246690 /nfs/dbraw/zinc/24/66/90/660246690.db2.gz OVATUOLAHFYUIG-HTQZYQBOSA-N -1 0 365.371 -0.386 20 0 FBADRM CO[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)c1cccs1 ZINC000941090172 660246651 /nfs/dbraw/zinc/24/66/51/660246651.db2.gz UJVGOSPNCRLSQK-RKDXNWHRSA-N -1 0 367.387 -0.593 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)C1=COCCO1 ZINC000941100479 660247576 /nfs/dbraw/zinc/24/75/76/660247576.db2.gz DNHAZWUZSFOSKT-NXEZZACHSA-N -1 0 352.347 -0.732 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)c1ccsc1 ZINC000941133233 660249153 /nfs/dbraw/zinc/24/91/53/660249153.db2.gz RRWDMSRBBZWPGR-RKDXNWHRSA-N -1 0 365.371 -0.386 20 0 FBADRM CO[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)c1ccsc1 ZINC000941135526 660248434 /nfs/dbraw/zinc/24/84/34/660248434.db2.gz SURAZWVOHVFEKH-NXEZZACHSA-N -1 0 367.387 -0.593 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)c1snnc1C ZINC000941160646 660249683 /nfs/dbraw/zinc/24/96/83/660249683.db2.gz GTFPAWJEHRKLSZ-RKDXNWHRSA-N -1 0 366.403 -0.147 20 0 FBADRM CO[C@@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C(C)C ZINC000941235090 660251567 /nfs/dbraw/zinc/25/15/67/660251567.db2.gz SNCQTFWKKKSFJQ-GHMZBOCLSA-N -1 0 353.379 -0.787 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000941257435 660253449 /nfs/dbraw/zinc/25/34/49/660253449.db2.gz FEWHOZZRKYBQOL-KKZNHRDASA-N -1 0 351.363 -0.571 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000941258904 660253496 /nfs/dbraw/zinc/25/34/96/660253496.db2.gz WNHQMWOYGVWJNK-FOGDFJRCSA-N -1 0 353.379 -0.779 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)C[C@H]1CCCO1 ZINC000941266929 660254156 /nfs/dbraw/zinc/25/41/56/660254156.db2.gz BGBMONXWICFJGW-IJLUTSLNSA-N -1 0 352.391 -0.052 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)C[C@@H]1CCCO1 ZINC000941266930 660254130 /nfs/dbraw/zinc/25/41/30/660254130.db2.gz BGBMONXWICFJGW-QJPTWQEYSA-N -1 0 352.391 -0.052 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)c1cnsn1 ZINC000941271555 660254177 /nfs/dbraw/zinc/25/41/77/660254177.db2.gz JFPKIYHKWWRLSV-RKDXNWHRSA-N -1 0 352.376 -0.455 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)c1[O-] ZINC000941273894 660256098 /nfs/dbraw/zinc/25/60/98/660256098.db2.gz QMXCRQGQYKDTSW-YUSALJHKSA-N -1 0 351.407 -0.526 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)c1cnns1 ZINC000941282501 660254757 /nfs/dbraw/zinc/25/47/57/660254757.db2.gz OHSVYOIXIVDHOG-HTQZYQBOSA-N -1 0 352.376 -0.455 20 0 FBADRM CO[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1NC(=O)c1cnsn1 ZINC000941284790 660255313 /nfs/dbraw/zinc/25/53/13/660255313.db2.gz RHIFQHFYERGORO-NXEZZACHSA-N -1 0 350.360 -0.697 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)c1cncs1 ZINC000941302981 660257802 /nfs/dbraw/zinc/25/78/02/660257802.db2.gz PWZUTMRWUPAEBR-RNFRBKRXSA-N -1 0 366.359 -0.991 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)[C@@H]1CCCOC1 ZINC000941339667 660259671 /nfs/dbraw/zinc/25/96/71/660259671.db2.gz OQSCMKRMCCSQCL-IJLUTSLNSA-N -1 0 352.391 -0.194 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)[C@H]1CCCOC1 ZINC000941339670 660259730 /nfs/dbraw/zinc/25/97/30/660259730.db2.gz OQSCMKRMCCSQCL-QJPTWQEYSA-N -1 0 352.391 -0.194 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)c1cscn1 ZINC000941349790 660260352 /nfs/dbraw/zinc/26/03/52/660260352.db2.gz SHSKIARPBOHDNM-HTRCEHHLSA-N -1 0 366.359 -0.991 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)C[C@H]1CCOC1 ZINC000941403262 660263364 /nfs/dbraw/zinc/26/33/64/660263364.db2.gz ZXQVKBAHCMFPJL-IJLUTSLNSA-N -1 0 352.391 -0.194 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)C[C@@H]1CCOC1 ZINC000941403263 660263380 /nfs/dbraw/zinc/26/33/80/660263380.db2.gz ZXQVKBAHCMFPJL-QJPTWQEYSA-N -1 0 352.391 -0.194 20 0 FBADRM CO[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)CC1CCC1 ZINC000941434554 660265620 /nfs/dbraw/zinc/26/56/20/660265620.db2.gz GZJWBGKNDJXCIU-GHMZBOCLSA-N -1 0 353.379 -0.779 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)CC1CCC1 ZINC000941434915 660265650 /nfs/dbraw/zinc/26/56/50/660265650.db2.gz MXPMPTHSODMSPV-NXEZZACHSA-N -1 0 351.363 -0.571 20 0 FBADRM O=C(N[C@@H]1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1)c1cn[nH]n1 ZINC000941442116 660265823 /nfs/dbraw/zinc/26/58/23/660265823.db2.gz XTLMUPONIAUHGR-QNSHHTMESA-N -1 0 363.296 -0.518 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)[C@@H](C)C1CC1 ZINC000941453796 660266295 /nfs/dbraw/zinc/26/62/95/660266295.db2.gz LWLNFKDYHSQOTQ-FXBDTBDDSA-N -1 0 351.363 -0.716 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)[C@H](C)C1CC1 ZINC000941453797 660266197 /nfs/dbraw/zinc/26/61/97/660266197.db2.gz LWLNFKDYHSQOTQ-SZEHBUNVSA-N -1 0 351.363 -0.716 20 0 FBADRM CO[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)[C@H](C)C1CC1 ZINC000941454383 660266285 /nfs/dbraw/zinc/26/62/85/660266285.db2.gz SDMOPSXAAFNAHN-FBIMIBRVSA-N -1 0 353.379 -0.923 20 0 FBADRM CO[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)[C@@H](C)C1CC1 ZINC000941454384 660266296 /nfs/dbraw/zinc/26/62/96/660266296.db2.gz SDMOPSXAAFNAHN-JMJZKYOTSA-N -1 0 353.379 -0.923 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C1CC(C)C1 ZINC000941487807 660266915 /nfs/dbraw/zinc/26/69/15/660266915.db2.gz QUWMCCVHTWAFOO-YDYPAMBWSA-N -1 0 351.363 -0.716 20 0 FBADRM CO[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C1CC(C)C1 ZINC000941488519 660266884 /nfs/dbraw/zinc/26/68/84/660266884.db2.gz LFOPDNPMTDFCRN-JPPWEJMLSA-N -1 0 353.379 -0.923 20 0 FBADRM CO[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C=C1CCC1 ZINC000941501567 660267255 /nfs/dbraw/zinc/26/72/55/660267255.db2.gz NGYMAJFSFJESHX-GHMZBOCLSA-N -1 0 351.363 -0.858 20 0 FBADRM CO[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C1=CCCC1 ZINC000941517783 660267627 /nfs/dbraw/zinc/26/76/27/660267627.db2.gz BCHJYGAUHIPKSY-GHMZBOCLSA-N -1 0 351.363 -0.858 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)[C@@H]1CCCCO1 ZINC000941541573 660268118 /nfs/dbraw/zinc/26/81/18/660268118.db2.gz IETVLQGXJXIJAW-GRYCIOLGSA-N -1 0 352.391 -0.052 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)[C@H]1CCCCO1 ZINC000941541574 660268133 /nfs/dbraw/zinc/26/81/33/660268133.db2.gz IETVLQGXJXIJAW-IJLUTSLNSA-N -1 0 352.391 -0.052 20 0 FBADRM CO[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941542529 660268971 /nfs/dbraw/zinc/26/89/71/660268971.db2.gz CNYNJOXYRHFBQC-NXEZZACHSA-N -1 0 352.347 -0.732 20 0 FBADRM CO[C@@H]1CN(C(=O)c2csnn2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941542615 660268960 /nfs/dbraw/zinc/26/89/60/660268960.db2.gz GLXZNNBFZQDCID-VXNVDRBHSA-N -1 0 352.376 -0.455 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941542718 660268957 /nfs/dbraw/zinc/26/89/57/660268957.db2.gz KODRPCUUIKXTSA-ROHXPCBUSA-N -1 0 350.375 -0.728 20 0 FBADRM CO[C@@H]1CN(C(=O)c2cnns2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941542762 660268977 /nfs/dbraw/zinc/26/89/77/660268977.db2.gz LZPNZZCDGCLDPL-HTQZYQBOSA-N -1 0 352.376 -0.455 20 0 FBADRM CO[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941542867 660268982 /nfs/dbraw/zinc/26/89/82/660268982.db2.gz PQJHYHMZBXAAIX-RKDXNWHRSA-N -1 0 352.376 -0.455 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941543218 660269001 /nfs/dbraw/zinc/26/90/01/660269001.db2.gz SSOOUWOTPBSJNR-FCHSOHFDSA-N -1 0 356.354 -0.492 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941543219 660268937 /nfs/dbraw/zinc/26/89/37/660268937.db2.gz SSOOUWOTPBSJNR-IQMDTDKHSA-N -1 0 356.354 -0.492 20 0 FBADRM CO[C@@H]1CN(C(=O)c2snnc2C)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941543220 660268994 /nfs/dbraw/zinc/26/89/94/660268994.db2.gz STLCPVDYCAMLFN-RKDXNWHRSA-N -1 0 366.403 -0.147 20 0 FBADRM CO[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941543532 660269016 /nfs/dbraw/zinc/26/90/16/660269016.db2.gz WCMFHRPLBMVSDL-RKDXNWHRSA-N -1 0 350.335 -0.615 20 0 FBADRM CO[C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941543541 660269095 /nfs/dbraw/zinc/26/90/95/660269095.db2.gz WOZSKNQODIXNRK-IJLUTSLNSA-N -1 0 352.391 -0.052 20 0 FBADRM CO[C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941543542 660269037 /nfs/dbraw/zinc/26/90/37/660269037.db2.gz WOZSKNQODIXNRK-QJPTWQEYSA-N -1 0 352.391 -0.052 20 0 FBADRM CO[C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941545933 660269113 /nfs/dbraw/zinc/26/91/13/660269113.db2.gz AMJJTZSYSJSRQV-VXGBXAGGSA-N -1 0 350.375 -0.274 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941546004 660268942 /nfs/dbraw/zinc/26/89/42/660268942.db2.gz CQWCWIYLGIDKMD-IJLUTSLNSA-N -1 0 352.391 -0.194 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941546005 660269117 /nfs/dbraw/zinc/26/91/17/660269117.db2.gz CQWCWIYLGIDKMD-QJPTWQEYSA-N -1 0 352.391 -0.194 20 0 FBADRM CO[C@H](C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](OC)C1)C1CC1 ZINC000941546025 660268968 /nfs/dbraw/zinc/26/89/68/660268968.db2.gz DFOZFZGAWFXAGK-GYSYKLTISA-N -1 0 352.391 -0.196 20 0 FBADRM CO[C@@H](C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](OC)C1)C1CC1 ZINC000941546026 660268930 /nfs/dbraw/zinc/26/89/30/660268930.db2.gz DFOZFZGAWFXAGK-JTNHKYCSSA-N -1 0 352.391 -0.196 20 0 FBADRM CO[C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941546298 660269119 /nfs/dbraw/zinc/26/91/19/660269119.db2.gz KYMGJCAPASGXNB-NXEZZACHSA-N -1 0 352.391 -0.005 20 0 FBADRM CO[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941547136 660269207 /nfs/dbraw/zinc/26/92/07/660269207.db2.gz XKKVSQYVCGXLDT-IJLUTSLNSA-N -1 0 352.391 -0.194 20 0 FBADRM CO[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941547137 660269330 /nfs/dbraw/zinc/26/93/30/660269330.db2.gz XKKVSQYVCGXLDT-QJPTWQEYSA-N -1 0 352.391 -0.194 20 0 FBADRM CO[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941547140 660269326 /nfs/dbraw/zinc/26/93/26/660269326.db2.gz XNVBLTZUVDSNPL-GHMZBOCLSA-N -1 0 352.391 -0.316 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941547163 660269250 /nfs/dbraw/zinc/26/92/50/660269250.db2.gz YDVJRNFZZWCQGM-GRYCIOLGSA-N -1 0 352.391 -0.052 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@H]2CCCCO2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941547166 660269299 /nfs/dbraw/zinc/26/92/99/660269299.db2.gz YDVJRNFZZWCQGM-IJLUTSLNSA-N -1 0 352.391 -0.052 20 0 FBADRM CO[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941547203 660269284 /nfs/dbraw/zinc/26/92/84/660269284.db2.gz YTVSNEAASFALCR-VXGBXAGGSA-N -1 0 352.391 -0.194 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941547391 660269365 /nfs/dbraw/zinc/26/93/65/660269365.db2.gz CIIQWSPYQPXYBU-RKDXNWHRSA-N -1 0 352.326 -0.445 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941548120 660269273 /nfs/dbraw/zinc/26/92/73/660269273.db2.gz KIIHDQSOKSTYMV-GFOPWETNSA-N -1 0 350.375 -0.584 20 0 FBADRM COC1CC(C(=O)N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@H](OC)C2)C1 ZINC000941548583 660269276 /nfs/dbraw/zinc/26/92/76/660269276.db2.gz NGOGWSFFBAOESE-KIDURHIOSA-N -1 0 352.391 -0.196 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941548679 660269192 /nfs/dbraw/zinc/26/91/92/660269192.db2.gz PESXGVMRVAQBNJ-HJQYOEGKSA-N -1 0 352.391 -0.053 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@]2(C)CCOC2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941548982 660269241 /nfs/dbraw/zinc/26/92/41/660269241.db2.gz REPACZLTLZBRQU-GLKRBJQHSA-N -1 0 352.391 -0.194 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941548983 660269374 /nfs/dbraw/zinc/26/93/74/660269374.db2.gz REPACZLTLZBRQU-UVWXRNBGSA-N -1 0 352.391 -0.194 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC000941549179 660269303 /nfs/dbraw/zinc/26/93/03/660269303.db2.gz SPIAQTSEGMJWNR-PYUPQCDSSA-N -1 0 352.391 -0.196 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)[C@@H]1CC1(C)C ZINC000941556399 660269503 /nfs/dbraw/zinc/26/95/03/660269503.db2.gz BOMOQINJIZFJPO-DJLDLDEBSA-N -1 0 351.363 -0.716 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)[C@H]1CC1(C)C ZINC000941556400 660269444 /nfs/dbraw/zinc/26/94/44/660269444.db2.gz BOMOQINJIZFJPO-IWSPIJDZSA-N -1 0 351.363 -0.716 20 0 FBADRM CO[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)[C@@H]1CC1(C)C ZINC000941558348 660270722 /nfs/dbraw/zinc/27/07/22/660270722.db2.gz YDPXJHRPFHZRPM-IVZWLZJFSA-N -1 0 353.379 -0.923 20 0 FBADRM CO[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)[C@H]1CC1(C)C ZINC000941558350 660270801 /nfs/dbraw/zinc/27/08/01/660270801.db2.gz YDPXJHRPFHZRPM-OPRDCNLKSA-N -1 0 353.379 -0.923 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CCN(C2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000941572430 660270120 /nfs/dbraw/zinc/27/01/20/660270120.db2.gz YNDCAQKENVAVTA-RISCZKNCSA-N -1 0 350.423 -0.736 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CCN(C3CN(Cc4n[nH]c(=O)[n-]4)C3)CC2)O1 ZINC000941574526 660270598 /nfs/dbraw/zinc/27/05/98/660270598.db2.gz HEFHLAHJIIYEOV-DGCLKSJQSA-N -1 0 350.423 -0.594 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)C1=CCOCC1 ZINC000941602939 660272224 /nfs/dbraw/zinc/27/22/24/660272224.db2.gz KLDRMCQVNYAZDW-VXGBXAGGSA-N -1 0 350.375 -0.274 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)O1 ZINC000941729437 660277832 /nfs/dbraw/zinc/27/78/32/660277832.db2.gz GISAYZUVVRYQAG-NXEZZACHSA-N -1 0 351.363 -0.475 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000941729493 660277807 /nfs/dbraw/zinc/27/78/07/660277807.db2.gz KHNVFTIDZFGFJU-KOLCDFICSA-N -1 0 351.363 -0.618 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000941789067 660279228 /nfs/dbraw/zinc/27/92/28/660279228.db2.gz NUUJUJHDSXSYSN-BBBLOLIVSA-N -1 0 351.363 -0.571 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000941791672 660279803 /nfs/dbraw/zinc/27/98/03/660279803.db2.gz BQVTZBYHFBMDKS-KKZNHRDASA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000941800984 660279562 /nfs/dbraw/zinc/27/95/62/660279562.db2.gz LYZFTHXVDVPMQV-PWSUYJOCSA-N -1 0 353.379 -0.825 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)O1 ZINC000941801106 660279623 /nfs/dbraw/zinc/27/96/23/660279623.db2.gz WQHSELDFNPYTJY-GHMZBOCLSA-N -1 0 353.379 -0.682 20 0 FBADRM CO[C@@H]1CN(C(=O)CSC)C[C@H]1NC(=O)c1c[n-]n2c1nccc2=O ZINC000941839786 660281441 /nfs/dbraw/zinc/28/14/41/660281441.db2.gz RVIRHPVBYJZPQM-GHMZBOCLSA-N -1 0 365.415 -0.659 20 0 FBADRM CO[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)c1c[n-]n2c1nccc2=O ZINC000941840157 660281354 /nfs/dbraw/zinc/28/13/54/660281354.db2.gz YFRPQYIHSHXEBT-RKDXNWHRSA-N -1 0 355.301 -0.757 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000941937172 660284172 /nfs/dbraw/zinc/28/41/72/660284172.db2.gz PUWKDRDXHMSFFC-MXWKQRLJSA-N -1 0 353.379 -0.779 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000941939991 660285584 /nfs/dbraw/zinc/28/55/84/660285584.db2.gz QTFCSKJATHKYLT-FOGDFJRCSA-N -1 0 353.379 -0.779 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)c1ccns1 ZINC000942055898 660289166 /nfs/dbraw/zinc/28/91/66/660289166.db2.gz JCVFVWDWKJZNHD-RNFRBKRXSA-N -1 0 366.359 -0.991 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000942076501 660290341 /nfs/dbraw/zinc/29/03/41/660290341.db2.gz ABTZFENILHCPBD-BBBLOLIVSA-N -1 0 351.363 -0.571 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000942076647 660290339 /nfs/dbraw/zinc/29/03/39/660290339.db2.gz GEJDQKHWJCQNLM-MXWKQRLJSA-N -1 0 353.379 -0.779 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)[C@]12C[C@H]1COC2 ZINC000942082148 660290093 /nfs/dbraw/zinc/29/00/93/660290093.db2.gz KDURIEDMISIDNL-GFOPWETNSA-N -1 0 350.375 -0.584 20 0 FBADRM CO[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)C1(C)CC1 ZINC000942104071 660290821 /nfs/dbraw/zinc/29/08/21/660290821.db2.gz ODOUKDIPKPLZSO-GHMZBOCLSA-N -1 0 350.375 -0.758 20 0 FBADRM COC1CC(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]2OC)C1 ZINC000942179923 660294481 /nfs/dbraw/zinc/29/44/81/660294481.db2.gz LTCUEXYMSYLHIK-KIDURHIOSA-N -1 0 352.391 -0.196 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)c1ccsn1 ZINC000942378718 660296535 /nfs/dbraw/zinc/29/65/35/660296535.db2.gz NJPXYVUDHSIABF-HTQZYQBOSA-N -1 0 366.359 -0.991 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000942449660 660298172 /nfs/dbraw/zinc/29/81/72/660298172.db2.gz MZCDIYIVJVOZEK-FOGDFJRCSA-N -1 0 350.375 -0.758 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C2)O1 ZINC000942487036 660298632 /nfs/dbraw/zinc/29/86/32/660298632.db2.gz JAECPXBSKNNKJF-CKYFFXLPSA-N -1 0 350.375 -0.616 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)c1nonc1C ZINC000942554631 660300990 /nfs/dbraw/zinc/30/09/90/660300990.db2.gz PGLFWVFUXKDBLI-RKDXNWHRSA-N -1 0 350.335 -0.615 20 0 FBADRM CO[C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1NC(=O)c1cn[nH]n1 ZINC000942661089 660303896 /nfs/dbraw/zinc/30/38/96/660303896.db2.gz CECHFEGQMPCMHG-NXEZZACHSA-N -1 0 353.770 -0.539 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@H](C)C2CCOCC2)C[C@H]1NC(=O)c1cn[nH]n1 ZINC000942661126 660303931 /nfs/dbraw/zinc/30/39/31/660303931.db2.gz DTMDDKZTACTHHC-LERXQTSPSA-N -1 0 351.407 -0.177 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@@H](C)C2CCOCC2)C[C@H]1NC(=O)c1cn[nH]n1 ZINC000942661127 660303883 /nfs/dbraw/zinc/30/38/83/660303883.db2.gz DTMDDKZTACTHHC-ZLKJLUDKSA-N -1 0 351.407 -0.177 20 0 FBADRM CO[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1NC(=O)c1cn[nH]n1 ZINC000942661337 660303871 /nfs/dbraw/zinc/30/38/71/660303871.db2.gz HLVFORSNJWBPFG-RKDXNWHRSA-N -1 0 364.387 -0.766 20 0 FBADRM COCc1nocc1C(=O)N1C[C@@H](NC(=O)c2cn[nH]n2)[C@H](OC)C1 ZINC000942661449 660303913 /nfs/dbraw/zinc/30/39/13/660303913.db2.gz JIGRCVHZTTXQKZ-ZYHUDNBSSA-N -1 0 350.335 -0.792 20 0 FBADRM COCc1ncc(C(=O)N2C[C@@H](NC(=O)c3cn[nH]n3)[C@H](OC)C2)s1 ZINC000942661464 660303844 /nfs/dbraw/zinc/30/38/44/660303844.db2.gz KKTFHAPSXXPXKU-NXEZZACHSA-N -1 0 366.403 -0.323 20 0 FBADRM CO[C@@H]1CN(C(=O)CCc2cscn2)C[C@H]1NC(=O)c1cn[nH]n1 ZINC000942661480 660303837 /nfs/dbraw/zinc/30/38/37/660303837.db2.gz LHTWBEYBWAPMGQ-VXGBXAGGSA-N -1 0 350.404 -0.150 20 0 FBADRM CO[C@@H]1CN(C(=O)c2snnc2C2CC2)C[C@H]1NC(=O)c1cn[nH]n1 ZINC000942684441 660303850 /nfs/dbraw/zinc/30/38/50/660303850.db2.gz HNZMKTHTTAEAPF-NXEZZACHSA-N -1 0 363.403 -0.197 20 0 FBADRM CO[C@@H]1CN(C(=O)c2ocnc2C(F)F)C[C@H]1NC(=O)c1cn[nH]n1 ZINC000942684445 660303862 /nfs/dbraw/zinc/30/38/62/660303862.db2.gz HPRIQZKNKWFPDD-HTQZYQBOSA-N -1 0 356.289 0.000 20 0 FBADRM COCC(=O)N1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@H](OC)C1 ZINC000943523563 660312096 /nfs/dbraw/zinc/31/20/96/660312096.db2.gz ATQJGLRAYDSASI-MWLCHTKSSA-N -1 0 350.331 -0.470 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)c1csnn1 ZINC000943733209 660314731 /nfs/dbraw/zinc/31/47/31/660314731.db2.gz QLIGZIVSEICBCU-VXNVDRBHSA-N -1 0 352.376 -0.455 20 0 FBADRM CO[C@@H]1CN(C(=O)CCC2CC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943795807 660316222 /nfs/dbraw/zinc/31/62/22/660316222.db2.gz AKFREKMXIVVAMD-NXEZZACHSA-N -1 0 351.363 -0.571 20 0 FBADRM CO[C@@H]1CN(C(=O)c2cncs2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943795809 660316166 /nfs/dbraw/zinc/31/61/66/660316166.db2.gz ALHVQNDIJIHNBO-RNFRBKRXSA-N -1 0 366.359 -0.991 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@@H]2CC2(C)C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943795821 660316208 /nfs/dbraw/zinc/31/62/08/660316208.db2.gz ANHOREXBRNHBHN-DJLDLDEBSA-N -1 0 351.363 -0.716 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@H]2CC2(C)C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943795823 660316254 /nfs/dbraw/zinc/31/62/54/660316254.db2.gz ANHOREXBRNHBHN-IWSPIJDZSA-N -1 0 351.363 -0.716 20 0 FBADRM CO[C@@H]1CN(C(=O)CC2CCC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943795881 660316284 /nfs/dbraw/zinc/31/62/84/660316284.db2.gz BQZSHRMGTXXGKE-NXEZZACHSA-N -1 0 351.363 -0.571 20 0 FBADRM CO[C@@H]1CN(C(=O)c2ccsc2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943795955 660316173 /nfs/dbraw/zinc/31/61/73/660316173.db2.gz DIFQOAABRAUSFS-RKDXNWHRSA-N -1 0 365.371 -0.386 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@@H](C)C2CC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943795977 660316219 /nfs/dbraw/zinc/31/62/19/660316219.db2.gz FJBQDXDMHCHRMS-FXBDTBDDSA-N -1 0 351.363 -0.716 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@H](C)C2CC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943795978 660316258 /nfs/dbraw/zinc/31/62/58/660316258.db2.gz FJBQDXDMHCHRMS-SZEHBUNVSA-N -1 0 351.363 -0.716 20 0 FBADRM CO[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943796174 660316228 /nfs/dbraw/zinc/31/62/28/660316228.db2.gz GPWKEGRYKDLNSZ-NXEZZACHSA-N -1 0 351.363 -0.571 20 0 FBADRM CO[C@@H]1CN(C(=O)CC(F)(F)F)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943796276 660316262 /nfs/dbraw/zinc/31/62/62/660316262.db2.gz JJPGCDPRGZMXOC-PHDIDXHHSA-N -1 0 365.268 -0.809 20 0 FBADRM CO[C@@H]1CN(C(=O)C2CC(C)C2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943796623 660316214 /nfs/dbraw/zinc/31/62/14/660316214.db2.gz NJLQNIVXPPSNLD-YDYPAMBWSA-N -1 0 351.363 -0.716 20 0 FBADRM CC[C@H](SC)C(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](OC)C1 ZINC000943796775 660316205 /nfs/dbraw/zinc/31/62/05/660316205.db2.gz PRSMHWDJWPPPLT-HLTSFMKQSA-N -1 0 371.419 -0.620 20 0 FBADRM CC[C@@H](SC)C(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](OC)C1 ZINC000943796776 660316427 /nfs/dbraw/zinc/31/64/27/660316427.db2.gz PRSMHWDJWPPPLT-IWSPIJDZSA-N -1 0 371.419 -0.620 20 0 FBADRM CO[C@@H]1CN(C(=O)c2cccs2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943796868 660316382 /nfs/dbraw/zinc/31/63/82/660316382.db2.gz QJAVWWNYLBLTJC-HTQZYQBOSA-N -1 0 365.371 -0.386 20 0 FBADRM CO[C@@H]1CN(C(=O)c2cscn2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943796940 660316387 /nfs/dbraw/zinc/31/63/87/660316387.db2.gz RYMRYHPMPAUPMB-HTRCEHHLSA-N -1 0 366.359 -0.991 20 0 FBADRM CO[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943796968 660316373 /nfs/dbraw/zinc/31/63/73/660316373.db2.gz SIXJBDAONXXTJI-RKDXNWHRSA-N -1 0 353.379 -0.325 20 0 FBADRM CO[C@@H]1CN(C(=O)C(F)=C(C)C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943796972 660316390 /nfs/dbraw/zinc/31/63/90/660316390.db2.gz SKAXXRYCKCHGRP-HTQZYQBOSA-N -1 0 355.326 -0.498 20 0 FBADRM CCC(CC)C(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](OC)C1 ZINC000943797611 660316420 /nfs/dbraw/zinc/31/64/20/660316420.db2.gz VYVOVGQLXHYRTM-NXEZZACHSA-N -1 0 353.379 -0.325 20 0 FBADRM CO[C@@H]1CN(C(=O)c2ccsn2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943806631 660316406 /nfs/dbraw/zinc/31/64/06/660316406.db2.gz DVILWUPYZQYOFC-HTQZYQBOSA-N -1 0 366.359 -0.991 20 0 FBADRM CO[C@@H]1CN(C(=O)CC(C)(F)F)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943806634 660316389 /nfs/dbraw/zinc/31/63/89/660316389.db2.gz DZRWBDYEXJXCEX-RNFRBKRXSA-N -1 0 361.305 -0.716 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@@H](C)C(C)C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943807014 660316391 /nfs/dbraw/zinc/31/63/91/660316391.db2.gz GDYFUNLAZFVRNM-IVZWLZJFSA-N -1 0 353.379 -0.470 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@H](C)C(C)C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943807015 660316429 /nfs/dbraw/zinc/31/64/29/660316429.db2.gz GDYFUNLAZFVRNM-OPRDCNLKSA-N -1 0 353.379 -0.470 20 0 FBADRM CO[C@@H]1CN(C(=O)CC2(C)CC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943807066 660316414 /nfs/dbraw/zinc/31/64/14/660316414.db2.gz IFGNDRHELOZLBS-RKDXNWHRSA-N -1 0 351.363 -0.571 20 0 FBADRM CO[C@@H]1CN(C(=O)c2nccs2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943807078 660316395 /nfs/dbraw/zinc/31/63/95/660316395.db2.gz IUJWAUYRHSFNIP-RNFRBKRXSA-N -1 0 366.359 -0.991 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@@H](F)C(C)C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943807334 660316397 /nfs/dbraw/zinc/31/63/97/660316397.db2.gz LAIHBFCDLJCABT-HLTSFMKQSA-N -1 0 357.342 -0.768 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@H](F)C(C)C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943807335 660316384 /nfs/dbraw/zinc/31/63/84/660316384.db2.gz LAIHBFCDLJCABT-IWSPIJDZSA-N -1 0 357.342 -0.768 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](OC)C1 ZINC000943807399 660316375 /nfs/dbraw/zinc/31/63/75/660316375.db2.gz LFEZYZPKAKKUBZ-ZYUZMQFOSA-N -1 0 351.363 -0.716 20 0 FBADRM CO[C@@H]1CN(C(=O)C2(C)CCC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943808638 660316393 /nfs/dbraw/zinc/31/63/93/660316393.db2.gz YDYSTPVABSECSB-RKDXNWHRSA-N -1 0 351.363 -0.571 20 0 FBADRM CO[C@@H]1CN(C(=O)c2ccns2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000943808644 660316426 /nfs/dbraw/zinc/31/64/26/660316426.db2.gz YLMFTVKRABCHEQ-RNFRBKRXSA-N -1 0 366.359 -0.991 20 0 FBADRM CCC(C)(C)C(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](OC)C1 ZINC000943808647 660316400 /nfs/dbraw/zinc/31/64/00/660316400.db2.gz YNSZUWYJSVTEMU-RKDXNWHRSA-N -1 0 353.379 -0.325 20 0 FBADRM CCC1(C(=O)N2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@H](OC)C2)CC1 ZINC000943808684 660316378 /nfs/dbraw/zinc/31/63/78/660316378.db2.gz ZSWBOKDCXGGXOC-RKDXNWHRSA-N -1 0 351.363 -0.571 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2OCCO[C@H]2C)c1[O-] ZINC000943962085 660323640 /nfs/dbraw/zinc/32/36/40/660323640.db2.gz GAOGOKSLXWHAEC-WDMOLILDSA-N -1 0 352.391 -0.052 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2C(=O)[C@H]2OCCO[C@H]2C)c1[O-] ZINC000944102817 660339130 /nfs/dbraw/zinc/33/91/30/660339130.db2.gz PVLBAYKJKIIZDB-WDMOLILDSA-N -1 0 352.391 -0.052 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCN2C(=O)c2n[nH]c(=O)[n-]c2=O)O1 ZINC000944160251 660340834 /nfs/dbraw/zinc/34/08/34/660340834.db2.gz FMNQOJJVHSXVET-OPRDCNLKSA-N -1 0 351.363 -0.429 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000944161079 660340814 /nfs/dbraw/zinc/34/08/14/660340814.db2.gz PENMEVYJLGFBAH-KKZNHRDASA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCN2C(=O)Cn2c(=O)[n-][nH]c2=O)O1 ZINC000944174410 660340996 /nfs/dbraw/zinc/34/09/96/660340996.db2.gz MXFUWBRSHPHSPT-GMTAPVOTSA-N -1 0 353.379 -0.636 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944174661 660341060 /nfs/dbraw/zinc/34/10/60/660341060.db2.gz QWZQUNLATDUMCP-FOGDFJRCSA-N -1 0 353.379 -0.779 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@@H]2CC2(C)C)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944239741 660341381 /nfs/dbraw/zinc/34/13/81/660341381.db2.gz FKCQMUPLXNVGGN-IVZWLZJFSA-N -1 0 353.379 -0.923 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@H]2CC2(C)C)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944239742 660341410 /nfs/dbraw/zinc/34/14/10/660341410.db2.gz FKCQMUPLXNVGGN-OPRDCNLKSA-N -1 0 353.379 -0.923 20 0 FBADRM CO[C@@H]1CN(C(=O)c2cccs2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944239749 660341456 /nfs/dbraw/zinc/34/14/56/660341456.db2.gz FVIOFCPVLYKJGX-RKDXNWHRSA-N -1 0 367.387 -0.593 20 0 FBADRM CO[C@@H]1CN(C(=O)CCC2CC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944239784 660341365 /nfs/dbraw/zinc/34/13/65/660341365.db2.gz HSYQTSVQWBUBHB-GHMZBOCLSA-N -1 0 353.379 -0.779 20 0 FBADRM CO[C@@H]1CN(C(=O)C(F)=C(C)C)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944239911 660341411 /nfs/dbraw/zinc/34/14/11/660341411.db2.gz IXCFZGUJADSSMZ-RKDXNWHRSA-N -1 0 357.342 -0.705 20 0 FBADRM CO[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944240056 660341387 /nfs/dbraw/zinc/34/13/87/660341387.db2.gz JNZYKSWWVSKANR-NXEZZACHSA-N -1 0 355.395 -0.533 20 0 FBADRM CCC(CC)C(=O)N1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](OC)C1 ZINC000944240071 660341437 /nfs/dbraw/zinc/34/14/37/660341437.db2.gz JWDCOMZUGXRJTF-GHMZBOCLSA-N -1 0 355.395 -0.533 20 0 FBADRM CO[C@@H]1CN(C(=O)C2=CCCC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944240147 660341454 /nfs/dbraw/zinc/34/14/54/660341454.db2.gz LUMLXKDKETYMMQ-GHMZBOCLSA-N -1 0 351.363 -0.858 20 0 FBADRM CO[C@@H]1CN(C(=O)CC2CCC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944240165 660341660 /nfs/dbraw/zinc/34/16/60/660341660.db2.gz MGAXLZFGQXGUIB-GHMZBOCLSA-N -1 0 353.379 -0.779 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@H](C)C2CC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944240176 660341642 /nfs/dbraw/zinc/34/16/42/660341642.db2.gz MLMRGTUPYXDXTG-FBIMIBRVSA-N -1 0 353.379 -0.923 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@@H](C)C2CC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944240177 660341711 /nfs/dbraw/zinc/34/17/11/660341711.db2.gz MLMRGTUPYXDXTG-JMJZKYOTSA-N -1 0 353.379 -0.923 20 0 FBADRM CO[C@@H]1CN(C(=O)C2CC(C)C2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944240451 660341607 /nfs/dbraw/zinc/34/16/07/660341607.db2.gz POASCIPPXAFQCG-JPPWEJMLSA-N -1 0 353.379 -0.923 20 0 FBADRM CO[C@@H]1CN(C(=O)c2ccsc2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944241171 660341625 /nfs/dbraw/zinc/34/16/25/660341625.db2.gz ZBMAYZGGRVBRPY-NXEZZACHSA-N -1 0 367.387 -0.593 20 0 FBADRM CO[C@@H]1CN(C(=O)C=C2CCC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944241174 660341682 /nfs/dbraw/zinc/34/16/82/660341682.db2.gz ZFVCQWHFHQDFRL-GHMZBOCLSA-N -1 0 351.363 -0.858 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@H](F)C(C)C)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944251800 660341708 /nfs/dbraw/zinc/34/17/08/660341708.db2.gz BMAZQLLGHDALEQ-FXPVBKGRSA-N -1 0 359.358 -0.975 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@@H](F)C(C)C)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944251801 660341668 /nfs/dbraw/zinc/34/16/68/660341668.db2.gz BMAZQLLGHDALEQ-KKZNHRDASA-N -1 0 359.358 -0.975 20 0 FBADRM CCC1(C(=O)N2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H](OC)C2)CC1 ZINC000944251991 660341560 /nfs/dbraw/zinc/34/15/60/660341560.db2.gz JHMXFIPLTRNMTR-NXEZZACHSA-N -1 0 353.379 -0.779 20 0 FBADRM CO[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944252009 660341709 /nfs/dbraw/zinc/34/17/09/660341709.db2.gz JZVDJJVDUARHSM-GHMZBOCLSA-N -1 0 353.379 -0.779 20 0 FBADRM CO[C@@H]1CN(C(=O)CC(C)(F)F)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944252075 660341674 /nfs/dbraw/zinc/34/16/74/660341674.db2.gz MKFNBKFWMJDWPL-HTQZYQBOSA-N -1 0 363.321 -0.923 20 0 FBADRM CCC(C)(C)C(=O)N1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](OC)C1 ZINC000944252472 660341707 /nfs/dbraw/zinc/34/17/07/660341707.db2.gz RHNVXVXPXCKAFU-NXEZZACHSA-N -1 0 355.395 -0.533 20 0 FBADRM CO[C@@H]1CN(C(=O)C2(C)CCC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944252479 660341573 /nfs/dbraw/zinc/34/15/73/660341573.db2.gz RKJGXXPEONONQN-NXEZZACHSA-N -1 0 353.379 -0.779 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@H](C)C(C)C)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944252985 660341553 /nfs/dbraw/zinc/34/15/53/660341553.db2.gz VLABAWMVIXXZEV-GMTAPVOTSA-N -1 0 355.395 -0.677 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@@H](C)C(C)C)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944252988 660341612 /nfs/dbraw/zinc/34/16/12/660341612.db2.gz VLABAWMVIXXZEV-HBNTYKKESA-N -1 0 355.395 -0.677 20 0 FBADRM CO[C@@H]1CN(C(=O)CC2(C)CC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944253021 660341689 /nfs/dbraw/zinc/34/16/89/660341689.db2.gz WRKLJMFYUJGKRF-NXEZZACHSA-N -1 0 353.379 -0.779 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](OC)C1 ZINC000944253043 660341587 /nfs/dbraw/zinc/34/15/87/660341587.db2.gz XEFVUJOYOWUNID-GWOFURMSSA-N -1 0 353.379 -0.923 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000944303903 660342259 /nfs/dbraw/zinc/34/22/59/660342259.db2.gz VUJCBZMOFQUVKK-KKZNHRDASA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)O1 ZINC000944320031 660342162 /nfs/dbraw/zinc/34/21/62/660342162.db2.gz DKGNFNQBGOICCJ-OPRDCNLKSA-N -1 0 351.363 -0.429 20 0 FBADRM CO[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000944377397 660342527 /nfs/dbraw/zinc/34/25/27/660342527.db2.gz AJAQQJUTUYEJHY-NXEZZACHSA-N -1 0 356.354 -0.810 20 0 FBADRM CO[C@@H]1CN(C(=O)C=C(C)C)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000944377423 660342515 /nfs/dbraw/zinc/34/25/15/660342515.db2.gz BHNNVVCBEBTLBO-VXGBXAGGSA-N -1 0 350.375 -0.592 20 0 FBADRM C/C=C(/C)C(=O)N1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H](OC)C1 ZINC000944377431 660342576 /nfs/dbraw/zinc/34/25/76/660342576.db2.gz BTGXSSNHWWJYCG-WZFVEOJDSA-N -1 0 350.375 -0.592 20 0 FBADRM C/C=C(\C)C(=O)N1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H](OC)C1 ZINC000944377432 660342598 /nfs/dbraw/zinc/34/25/98/660342598.db2.gz BTGXSSNHWWJYCG-YRCSQKNFSA-N -1 0 350.375 -0.592 20 0 FBADRM CO[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000944377433 660342544 /nfs/dbraw/zinc/34/25/44/660342544.db2.gz BVEDPYKPIJWKKH-GHMZBOCLSA-N -1 0 350.375 -0.758 20 0 FBADRM CO[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000944377461 660342522 /nfs/dbraw/zinc/34/25/22/660342522.db2.gz CUISLFYBXBVQGF-RKDXNWHRSA-N -1 0 360.317 -0.903 20 0 FBADRM CC[C@@H](F)C(=O)N1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H](OC)C1 ZINC000944378015 660342613 /nfs/dbraw/zinc/34/26/13/660342613.db2.gz LQSRZVBLJZFCRX-GMTAPVOTSA-N -1 0 356.354 -0.810 20 0 FBADRM CC[C@H](F)C(=O)N1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H](OC)C1 ZINC000944378016 660342635 /nfs/dbraw/zinc/34/26/35/660342635.db2.gz LQSRZVBLJZFCRX-HBNTYKKESA-N -1 0 356.354 -0.810 20 0 FBADRM CO[C@@H]1CN(C(=O)CC2CC2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000944378052 660342667 /nfs/dbraw/zinc/34/26/67/660342667.db2.gz NDIVSEJLBHPRHW-VXGBXAGGSA-N -1 0 350.375 -0.758 20 0 FBADRM CO[C@@H]1CN(C(=O)CC(C)C)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000944378207 660342664 /nfs/dbraw/zinc/34/26/64/660342664.db2.gz QAXGGFDYWHNIKB-VXGBXAGGSA-N -1 0 352.391 -0.512 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@@H](C)SC)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000944378292 660342632 /nfs/dbraw/zinc/34/26/32/660342632.db2.gz SFVGCUDKPNONPT-FBIMIBRVSA-N -1 0 370.431 -0.807 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@H](C)SC)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000944378296 660342625 /nfs/dbraw/zinc/34/26/25/660342625.db2.gz SFVGCUDKPNONPT-JMJZKYOTSA-N -1 0 370.431 -0.807 20 0 FBADRM CC[C@H](C)C(=O)N1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H](OC)C1 ZINC000944378405 660342662 /nfs/dbraw/zinc/34/26/62/660342662.db2.gz SZONEHCXZXMMFZ-MVWJERBFSA-N -1 0 352.391 -0.512 20 0 FBADRM CC[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H](OC)C1 ZINC000944378406 660342673 /nfs/dbraw/zinc/34/26/73/660342673.db2.gz SZONEHCXZXMMFZ-YUSALJHKSA-N -1 0 352.391 -0.512 20 0 FBADRM CO[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000944378408 660342650 /nfs/dbraw/zinc/34/26/50/660342650.db2.gz TWKJBCYLDWJMJP-GHMZBOCLSA-N -1 0 352.391 -0.512 20 0 FBADRM CO[C@@H]1CN(C(=O)C2CCC2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000944378475 660342648 /nfs/dbraw/zinc/34/26/48/660342648.db2.gz WMFMCLDCPAVAOJ-VXGBXAGGSA-N -1 0 350.375 -0.758 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000944378508 660342660 /nfs/dbraw/zinc/34/26/60/660342660.db2.gz XWEOQAKMDHIIFV-CNVPUSNMSA-N -1 0 350.375 -0.903 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000944378509 660342611 /nfs/dbraw/zinc/34/26/11/660342611.db2.gz XWEOQAKMDHIIFV-GAIPPQHRSA-N -1 0 350.375 -0.903 20 0 FBADRM CO[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)[C@@H]1C[C@H]1C ZINC000944520623 660344088 /nfs/dbraw/zinc/34/40/88/660344088.db2.gz RAAUCXZAFXIHGS-CNVPUSNMSA-N -1 0 350.375 -0.903 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C1(C)CCC1 ZINC000944542667 660344482 /nfs/dbraw/zinc/34/44/82/660344482.db2.gz MYSVNSJRILEDJW-RKDXNWHRSA-N -1 0 351.363 -0.571 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(C(=O)[C@H]3OCC[C@H]3C)CCO2)c1[O-] ZINC000944553275 660344622 /nfs/dbraw/zinc/34/46/22/660344622.db2.gz RKAVCOWABOXCMA-PUYPPJJSSA-N -1 0 352.391 -0.194 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)[C@H]3OCC[C@H]3C)CCO2)c1[O-] ZINC000944553276 660344658 /nfs/dbraw/zinc/34/46/58/660344658.db2.gz RKAVCOWABOXCMA-UDZFHETQSA-N -1 0 352.391 -0.194 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(C(=O)[C@]34C[C@H]3COC4)CCO2)c1[O-] ZINC000944554016 660344628 /nfs/dbraw/zinc/34/46/28/660344628.db2.gz ZKGXZFVZWLBTNI-MMPTUQATSA-N -1 0 350.375 -0.583 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)CCO2)c1[O-] ZINC000944554017 660344662 /nfs/dbraw/zinc/34/46/62/660344662.db2.gz ZKGXZFVZWLBTNI-USBNGQNGSA-N -1 0 350.375 -0.583 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(C(=O)[C@H]3CC[C@@H](C)O3)CCO2)c1[O-] ZINC000944554022 660344670 /nfs/dbraw/zinc/34/46/70/660344670.db2.gz ZNFDMPYJNYVQOM-ADEWGFFLSA-N -1 0 352.391 -0.052 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C)O3)CCO2)c1[O-] ZINC000944554023 660344587 /nfs/dbraw/zinc/34/45/87/660344587.db2.gz ZNFDMPYJNYVQOM-YUSALJHKSA-N -1 0 352.391 -0.052 20 0 FBADRM CO[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C1(C)CCC1 ZINC000944564085 660344681 /nfs/dbraw/zinc/34/46/81/660344681.db2.gz PVUBZGZYLLBGKI-NXEZZACHSA-N -1 0 353.379 -0.779 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCO[C@@H](CNC(=O)[C@]34C[C@H]3COC4)C2)c1[O-] ZINC000944625548 660346088 /nfs/dbraw/zinc/34/60/88/660346088.db2.gz VEUFIJSOSUQSDS-MMPTUQATSA-N -1 0 350.375 -0.583 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCO[C@H](CNC(=O)[C@]34C[C@H]3COC4)C2)c1[O-] ZINC000944625549 660346018 /nfs/dbraw/zinc/34/60/18/660346018.db2.gz VEUFIJSOSUQSDS-USBNGQNGSA-N -1 0 350.375 -0.583 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000944685068 660347697 /nfs/dbraw/zinc/34/76/97/660347697.db2.gz CDTQECUOSIUEAX-KXUCPTDWSA-N -1 0 351.363 -0.714 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)N1CCO[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000944685069 660347604 /nfs/dbraw/zinc/34/76/04/660347604.db2.gz CDTQECUOSIUEAX-OPRDCNLKSA-N -1 0 351.363 -0.714 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCO[C@@H](CNC(=O)[C@H]3OCC[C@H]3C)C2)c1[O-] ZINC000944779668 660350412 /nfs/dbraw/zinc/35/04/12/660350412.db2.gz PHZIXQXGPJRSAS-PUYPPJJSSA-N -1 0 352.391 -0.194 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCO[C@H](CNC(=O)[C@H]3OCC[C@H]3C)C2)c1[O-] ZINC000944779670 660350323 /nfs/dbraw/zinc/35/03/23/660350323.db2.gz PHZIXQXGPJRSAS-UDZFHETQSA-N -1 0 352.391 -0.194 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CCO1 ZINC000944785772 660350849 /nfs/dbraw/zinc/35/08/49/660350849.db2.gz HPJVDKIMIYUFDS-GMTAPVOTSA-N -1 0 353.379 -0.921 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CCO1 ZINC000944785773 660350821 /nfs/dbraw/zinc/35/08/21/660350821.db2.gz HPJVDKIMIYUFDS-OUAUKWLOSA-N -1 0 353.379 -0.921 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCO[C@@H](CNC(=O)[C@H]3CC[C@@H](C)O3)C2)c1[O-] ZINC000944786752 660350935 /nfs/dbraw/zinc/35/09/35/660350935.db2.gz GNAPEPZVTPRGLG-ADEWGFFLSA-N -1 0 352.391 -0.052 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCO[C@H](CNC(=O)[C@H]3CC[C@@H](C)O3)C2)c1[O-] ZINC000944786753 660351004 /nfs/dbraw/zinc/35/10/04/660351004.db2.gz GNAPEPZVTPRGLG-YUSALJHKSA-N -1 0 352.391 -0.052 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCO1 ZINC000944792243 660351155 /nfs/dbraw/zinc/35/11/55/660351155.db2.gz LVVYCSVXFXBUHB-KXUCPTDWSA-N -1 0 351.363 -0.714 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCO1 ZINC000944792245 660351189 /nfs/dbraw/zinc/35/11/89/660351189.db2.gz LVVYCSVXFXBUHB-OPRDCNLKSA-N -1 0 351.363 -0.714 20 0 FBADRM CO[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)[C@H]1C[C@@H]1C ZINC000945153034 660353231 /nfs/dbraw/zinc/35/32/31/660353231.db2.gz RAAUCXZAFXIHGS-GAIPPQHRSA-N -1 0 350.375 -0.903 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000945463625 660354921 /nfs/dbraw/zinc/35/49/21/660354921.db2.gz ZYTWWRGSBSDYRH-ROHXPCBUSA-N -1 0 350.375 -0.728 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)c1csc(=O)[nH]1 ZINC000945551987 660355299 /nfs/dbraw/zinc/35/52/99/660355299.db2.gz DQBYBMFNGZUJTG-VXNVDRBHSA-N -1 0 367.387 -0.145 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)[C@]1(F)CCOC1 ZINC000945905437 660356824 /nfs/dbraw/zinc/35/68/24/660356824.db2.gz TZPVYITWBNLJDT-FCHSOHFDSA-N -1 0 356.354 -0.492 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)[C@@]1(F)CCOC1 ZINC000945905438 660356850 /nfs/dbraw/zinc/35/68/50/660356850.db2.gz TZPVYITWBNLJDT-IQMDTDKHSA-N -1 0 356.354 -0.492 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)c1nccs1 ZINC000946406241 660400157 /nfs/dbraw/zinc/40/01/57/660400157.db2.gz DEGTXUYPKCLDEF-RNFRBKRXSA-N -1 0 366.359 -0.991 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)[C@]1(C)CCOC1 ZINC000946442169 660401594 /nfs/dbraw/zinc/40/15/94/660401594.db2.gz ZLYUOQADGWBFBM-GLKRBJQHSA-N -1 0 352.391 -0.194 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)[C@@]1(C)CCOC1 ZINC000946442170 660401603 /nfs/dbraw/zinc/40/16/03/660401603.db2.gz ZLYUOQADGWBFBM-UVWXRNBGSA-N -1 0 352.391 -0.194 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCC(NC(=O)[C@H]3OCCO[C@H]3C)CC2)c1[O-] ZINC000946479898 660403357 /nfs/dbraw/zinc/40/33/57/660403357.db2.gz UFVPRCABUKXCNF-HZMBPMFUSA-N -1 0 352.391 -0.052 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)c1n[nH]cc1F ZINC000946601566 660470772 /nfs/dbraw/zinc/47/07/72/660470772.db2.gz QPGXDMBYSAECBW-RKDXNWHRSA-N -1 0 352.326 -0.445 20 0 FBADRM CO[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)C(C)(C)C ZINC000946672788 660477441 /nfs/dbraw/zinc/47/74/41/660477441.db2.gz PZVNBIMSMKRCFT-GHMZBOCLSA-N -1 0 352.391 -0.512 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)[C@H]1OCC[C@H]1C ZINC000946811507 660490351 /nfs/dbraw/zinc/49/03/51/660490351.db2.gz GPRWEZSBQVKWKS-PYUPQCDSSA-N -1 0 352.391 -0.196 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1OC ZINC000946881632 660515534 /nfs/dbraw/zinc/51/55/34/660515534.db2.gz NAKIHJPFXANAGQ-ZYUZMQFOSA-N -1 0 351.363 -0.716 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1OC ZINC000946881819 660515433 /nfs/dbraw/zinc/51/54/33/660515433.db2.gz WSWZMAWJSHUSBC-GWOFURMSSA-N -1 0 353.379 -0.923 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000946893693 660516876 /nfs/dbraw/zinc/51/68/76/660516876.db2.gz CDUSNXIOHAIAPU-HJQYOEGKSA-N -1 0 352.391 -0.053 20 0 FBADRM C[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000947019225 661653831 /nfs/dbraw/zinc/65/38/31/661653831.db2.gz OAVRMSKPYYTZHC-VXNVDRBHSA-N -1 0 354.317 -0.701 20 0 FBADRM C[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000947077536 661703619 /nfs/dbraw/zinc/70/36/19/661703619.db2.gz IEMRNPOZWPXPCL-PSASIEDQSA-N -1 0 351.363 -0.714 20 0 FBADRM C[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000947078766 661705286 /nfs/dbraw/zinc/70/52/86/661705286.db2.gz JLTBCORRQJNLMX-MWLCHTKSSA-N -1 0 353.379 -0.921 20 0 FBADRM COCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1 ZINC000947127939 661723939 /nfs/dbraw/zinc/72/39/39/661723939.db2.gz ZHEYPFYFAPVSSZ-TZMCWYRMSA-N -1 0 352.435 -0.016 20 0 FBADRM C[C@@H]1CN(C(=O)Cc2cccs2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000947180477 661735485 /nfs/dbraw/zinc/73/54/85/661735485.db2.gz CEVFOEAFSIQJOS-MWLCHTKSSA-N -1 0 365.415 -0.043 20 0 FBADRM Cc1n[nH]c(C(=O)NC2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)c1[O-] ZINC000947227606 657420320 /nfs/dbraw/zinc/42/03/20/657420320.db2.gz AKEFVUAEACTKKE-HZMBPMFUSA-N -1 0 352.391 -0.052 20 0 FBADRM C[C@@H]1CN(C(=O)Cc2ccsc2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000947306322 658230544 /nfs/dbraw/zinc/23/05/44/658230544.db2.gz OUYFXQWJQSFLKC-MWLCHTKSSA-N -1 0 365.415 -0.043 20 0 FBADRM CSCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000947359478 658906002 /nfs/dbraw/zinc/90/60/02/658906002.db2.gz DNNQOQAQQIDTDK-MWLCHTKSSA-N -1 0 364.431 -0.603 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000947369862 661737173 /nfs/dbraw/zinc/73/71/73/661737173.db2.gz JBRQRHDVUGHWMK-JLLWLGSASA-N -1 0 350.375 -0.758 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000947369863 661737135 /nfs/dbraw/zinc/73/71/35/661737135.db2.gz JBRQRHDVUGHWMK-YUSALJHKSA-N -1 0 350.375 -0.758 20 0 FBADRM Cc1cc(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)no1 ZINC000947389528 661737158 /nfs/dbraw/zinc/73/71/58/661737158.db2.gz MGRLFDFJGLUUCS-GMSGAONNSA-N -1 0 350.335 -0.737 20 0 FBADRM Cc1nnsc1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000947446493 661737764 /nfs/dbraw/zinc/73/77/64/661737764.db2.gz CFSSZOKNYXWBQH-HTRCEHHLSA-N -1 0 367.391 -0.874 20 0 FBADRM Cc1nnsc1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000947447173 661738066 /nfs/dbraw/zinc/73/80/66/661738066.db2.gz VPUYCCIUPYIIRK-IYSWYEEDSA-N -1 0 365.375 -0.667 20 0 FBADRM Cc1cc(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)on1 ZINC000947475583 661738053 /nfs/dbraw/zinc/73/80/53/661738053.db2.gz PNAPODNWZLFIHC-VXNVDRBHSA-N -1 0 350.335 -0.737 20 0 FBADRM C[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000947496094 661738254 /nfs/dbraw/zinc/73/82/54/661738254.db2.gz RGLQNBHWDVRGGA-GMSGAONNSA-N -1 0 368.781 -0.052 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)O1 ZINC000947576834 661738567 /nfs/dbraw/zinc/73/85/67/661738567.db2.gz CDWTUCOGQUXDPS-PSASIEDQSA-N -1 0 351.363 -0.429 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000947577514 661738540 /nfs/dbraw/zinc/73/85/40/661738540.db2.gz PFKYXRROAYHTBG-KCJUWKMLSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)O1 ZINC000947659265 661738987 /nfs/dbraw/zinc/73/89/87/661738987.db2.gz LQUXUHSUDADTBB-MWLCHTKSSA-N -1 0 353.379 -0.636 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NC1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000947659446 661739230 /nfs/dbraw/zinc/73/92/30/661739230.db2.gz PNFIPRYCASDXTO-SKDRFNHKSA-N -1 0 353.379 -0.779 20 0 FBADRM CS[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000947668157 661739367 /nfs/dbraw/zinc/73/93/67/661739367.db2.gz UGINEWYYYIOHEO-FXPVBKGRSA-N -1 0 354.432 -0.186 20 0 FBADRM CS[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000947668159 658644559 /nfs/dbraw/zinc/64/45/59/658644559.db2.gz UGINEWYYYIOHEO-WCABBAIRSA-N -1 0 354.432 -0.186 20 0 FBADRM C[C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000947678562 661739672 /nfs/dbraw/zinc/73/96/72/661739672.db2.gz PBSVJRNEWUMNJH-GMTAPVOTSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000947678563 661739592 /nfs/dbraw/zinc/73/95/92/661739592.db2.gz PBSVJRNEWUMNJH-OUAUKWLOSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000947678670 661739579 /nfs/dbraw/zinc/73/95/79/661739579.db2.gz VPIYPZCASOLCGT-KXUCPTDWSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000947678671 661739625 /nfs/dbraw/zinc/73/96/25/661739625.db2.gz VPIYPZCASOLCGT-OPRDCNLKSA-N -1 0 351.363 -0.571 20 0 FBADRM Cc1ncsc1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000947684580 661739631 /nfs/dbraw/zinc/73/96/31/661739631.db2.gz DNGPGZVRBUPOKB-HTRCEHHLSA-N -1 0 364.387 -0.062 20 0 FBADRM Cc1ncsc1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000947684970 661739556 /nfs/dbraw/zinc/73/95/56/661739556.db2.gz JZWQREBWJCKXOJ-VXNVDRBHSA-N -1 0 366.403 -0.269 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000947708732 658840975 /nfs/dbraw/zinc/84/09/75/658840975.db2.gz YLYOAANAWYSPBJ-IYSWYEEDSA-N -1 0 351.348 -0.975 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnns2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000947718431 661739839 /nfs/dbraw/zinc/73/98/39/661739839.db2.gz XDHZBQQPKHJBCG-VXNVDRBHSA-N -1 0 364.387 -0.772 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000947724876 658861243 /nfs/dbraw/zinc/86/12/43/658861243.db2.gz DYBPFFVKMFSEIW-GMSGAONNSA-N -1 0 364.387 -0.772 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnns2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000947729557 661740233 /nfs/dbraw/zinc/74/02/33/661740233.db2.gz FZPKZIZVZCWOAF-PHDIDXHHSA-N -1 0 351.348 -0.975 20 0 FBADRM C[C@@H]1CN(C(=O)c2cncs2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000947775292 661740425 /nfs/dbraw/zinc/74/04/25/661740425.db2.gz KIELUJDSZSAMKS-RNFRBKRXSA-N -1 0 350.360 -0.370 20 0 FBADRM C[C@@H]1CN(C(=O)c2cncs2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000947778078 661740601 /nfs/dbraw/zinc/74/06/01/661740601.db2.gz LOSQXNRJEWZNEI-HTQZYQBOSA-N -1 0 352.376 -0.577 20 0 FBADRM C[C@@H]1CN(C(=O)c2cncs2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000947786327 661740771 /nfs/dbraw/zinc/74/07/71/661740771.db2.gz OVXOUPMIYRWFTD-PSASIEDQSA-N -1 0 363.399 -0.167 20 0 FBADRM Cc1ocnc1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000947830795 661742247 /nfs/dbraw/zinc/74/22/47/661742247.db2.gz TYMBLHPCMBEPGC-VXNVDRBHSA-N -1 0 350.335 -0.737 20 0 FBADRM C[C@@H]1CN(C(=O)CC(F)(F)F)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000947840521 661742083 /nfs/dbraw/zinc/74/20/83/661742083.db2.gz MLKYSKSWYPLIIT-RNFRBKRXSA-N -1 0 351.285 -0.395 20 0 FBADRM CC[C@H](OC)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000947855348 661742182 /nfs/dbraw/zinc/74/21/82/661742182.db2.gz HXXSUVAXUOPDOT-JLLWLGSASA-N -1 0 352.391 -0.512 20 0 FBADRM CC[C@@H](OC)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000947855349 661742130 /nfs/dbraw/zinc/74/21/30/661742130.db2.gz HXXSUVAXUOPDOT-YUSALJHKSA-N -1 0 352.391 -0.512 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000947860009 661742115 /nfs/dbraw/zinc/74/21/15/661742115.db2.gz NNDMBNFFFILCGZ-CKYFFXLPSA-N -1 0 350.375 -0.901 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000947860010 661742097 /nfs/dbraw/zinc/74/20/97/661742097.db2.gz NNDMBNFFFILCGZ-JFGNBEQYSA-N -1 0 350.375 -0.901 20 0 FBADRM Cc1ncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)s1 ZINC000947865503 661742197 /nfs/dbraw/zinc/74/21/97/661742197.db2.gz NKUMKAUHVJKULS-HTRCEHHLSA-N -1 0 364.387 -0.062 20 0 FBADRM Cc1ncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)s1 ZINC000947865841 661742457 /nfs/dbraw/zinc/74/24/57/661742457.db2.gz SSYSOKQVOMNSOM-VXNVDRBHSA-N -1 0 366.403 -0.269 20 0 FBADRM C[C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000947906940 661742602 /nfs/dbraw/zinc/74/26/02/661742602.db2.gz IQVCBFDLVONCAU-MWLCHTKSSA-N -1 0 351.363 -0.653 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000947910692 661742681 /nfs/dbraw/zinc/74/26/81/661742681.db2.gz JWIWDBVETIMOLC-KXUCPTDWSA-N -1 0 351.363 -0.714 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000947910693 661742595 /nfs/dbraw/zinc/74/25/95/661742595.db2.gz JWIWDBVETIMOLC-OPRDCNLKSA-N -1 0 351.363 -0.714 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000947910913 661742718 /nfs/dbraw/zinc/74/27/18/661742718.db2.gz QNSZKULWEMGEEP-GMTAPVOTSA-N -1 0 353.379 -0.921 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000947910914 661742727 /nfs/dbraw/zinc/74/27/27/661742727.db2.gz QNSZKULWEMGEEP-OUAUKWLOSA-N -1 0 353.379 -0.921 20 0 FBADRM C[C@@H]1CN(C(=O)c2cscn2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000947919155 661742564 /nfs/dbraw/zinc/74/25/64/661742564.db2.gz PNMGKZSVYINWGA-PSASIEDQSA-N -1 0 363.399 -0.167 20 0 FBADRM C[C@@H]1CN(C(=O)c2cscn2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000947925520 661742935 /nfs/dbraw/zinc/74/29/35/661742935.db2.gz CLGSFVMMDKNEAL-HTQZYQBOSA-N -1 0 352.376 -0.577 20 0 FBADRM C[C@@H]1CN(C(=O)c2cscn2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000947925956 660396516 /nfs/dbraw/zinc/39/65/16/660396516.db2.gz POXZGJKZDCIBJY-RNFRBKRXSA-N -1 0 350.360 -0.370 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000947981103 661743328 /nfs/dbraw/zinc/74/33/28/661743328.db2.gz ZGBGTQDAOBLASD-HTQZYQBOSA-N -1 0 351.363 -0.525 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000947983052 661743299 /nfs/dbraw/zinc/74/32/99/661743299.db2.gz QUGLTTUEGGZHFY-RKDXNWHRSA-N -1 0 353.379 -0.732 20 0 FBADRM C[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000948059050 661743949 /nfs/dbraw/zinc/74/39/49/661743949.db2.gz UJEOYZOOBMGMEH-KXUCPTDWSA-N -1 0 351.363 -0.714 20 0 FBADRM C[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000948059051 661743888 /nfs/dbraw/zinc/74/38/88/661743888.db2.gz UJEOYZOOBMGMEH-OPRDCNLKSA-N -1 0 351.363 -0.714 20 0 FBADRM C[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000948062573 661744192 /nfs/dbraw/zinc/74/41/92/661744192.db2.gz NHBFWPMDFYDGLQ-GMTAPVOTSA-N -1 0 353.379 -0.921 20 0 FBADRM C[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000948062576 661744231 /nfs/dbraw/zinc/74/42/31/661744231.db2.gz NHBFWPMDFYDGLQ-OUAUKWLOSA-N -1 0 353.379 -0.921 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@H]2C)c1[O-] ZINC000948114062 661745000 /nfs/dbraw/zinc/74/50/00/661745000.db2.gz XJMXEGKYTCCJSH-JLLWLGSASA-N -1 0 351.407 -0.669 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@H]2C)c1[O-] ZINC000948114063 661744838 /nfs/dbraw/zinc/74/48/38/661744838.db2.gz XJMXEGKYTCCJSH-YUSALJHKSA-N -1 0 351.407 -0.669 20 0 FBADRM Cc1ncoc1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000948167026 661745199 /nfs/dbraw/zinc/74/51/99/661745199.db2.gz DNFVKGSLUMIWMZ-VXNVDRBHSA-N -1 0 350.335 -0.737 20 0 FBADRM C[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000948279282 661745556 /nfs/dbraw/zinc/74/55/56/661745556.db2.gz HBSRXGDCHPWRTK-VXNVDRBHSA-N -1 0 359.333 -0.302 20 0 FBADRM C[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000948280195 661745462 /nfs/dbraw/zinc/74/54/62/661745462.db2.gz QNEFVCNSFAVHRB-HTRCEHHLSA-N -1 0 357.317 -0.095 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3COC(=O)C3)C[C@H]2C)c1[O-] ZINC000948387644 661745980 /nfs/dbraw/zinc/74/59/80/661745980.db2.gz AOEDHRDMJSPXPT-DVVUODLYSA-N -1 0 350.375 -0.046 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C[C@H]3COC(=O)C3)C[C@H]2C)c1[O-] ZINC000948387645 661745923 /nfs/dbraw/zinc/74/59/23/661745923.db2.gz AOEDHRDMJSPXPT-FBIMIBRVSA-N -1 0 350.375 -0.046 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)CN3CCOCC3)C2)c1[O-] ZINC000948406934 661746327 /nfs/dbraw/zinc/74/63/27/661746327.db2.gz DPTSDRGVTSYTTJ-ZYHUDNBSSA-N -1 0 351.407 -0.667 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CN(C)CCO3)C2)c1[O-] ZINC000948407004 661746372 /nfs/dbraw/zinc/74/63/72/661746372.db2.gz IFAITNRHWPRNDG-JLLWLGSASA-N -1 0 351.407 -0.669 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CN(C)CCO3)C2)c1[O-] ZINC000948407005 661746318 /nfs/dbraw/zinc/74/63/18/661746318.db2.gz IFAITNRHWPRNDG-YUSALJHKSA-N -1 0 351.407 -0.669 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3COCCN3C)C2)c1[O-] ZINC000948407013 661746380 /nfs/dbraw/zinc/74/63/80/661746380.db2.gz IRWSZQQBUANGJG-JLLWLGSASA-N -1 0 351.407 -0.669 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3COCCN3C)C2)c1[O-] ZINC000948407014 661746411 /nfs/dbraw/zinc/74/64/11/661746411.db2.gz IRWSZQQBUANGJG-YUSALJHKSA-N -1 0 351.407 -0.669 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[C@@H]3COC(=O)C3)C2)c1[O-] ZINC000948407166 661746303 /nfs/dbraw/zinc/74/63/03/661746303.db2.gz PLJRCUTXNNHRBN-DVVUODLYSA-N -1 0 350.375 -0.046 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[C@H]3COC(=O)C3)C2)c1[O-] ZINC000948407167 661746377 /nfs/dbraw/zinc/74/63/77/661746377.db2.gz PLJRCUTXNNHRBN-FBIMIBRVSA-N -1 0 350.375 -0.046 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2CCCCO2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000948411515 661746638 /nfs/dbraw/zinc/74/66/38/661746638.db2.gz IRAUQONQAYLNBJ-GMTAPVOTSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000948411516 661746618 /nfs/dbraw/zinc/74/66/18/661746618.db2.gz IRAUQONQAYLNBJ-MXWKQRLJSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000948411703 661746538 /nfs/dbraw/zinc/74/65/38/661746538.db2.gz PGLPREUQNZNINT-BBBLOLIVSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2CCCCO2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000948411704 661746568 /nfs/dbraw/zinc/74/65/68/661746568.db2.gz PGLPREUQNZNINT-OPRDCNLKSA-N -1 0 351.363 -0.571 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C3CS(=O)(=O)C3)C2)c1[O-] ZINC000948417320 661746491 /nfs/dbraw/zinc/74/64/91/661746491.db2.gz BINGCCYJRNVTHE-GMSGAONNSA-N -1 0 356.404 -0.955 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCS(=O)(=O)C3)C2)c1[O-] ZINC000948417962 661746509 /nfs/dbraw/zinc/74/65/09/661746509.db2.gz SMZJXHKFYNFOJL-DVVUODLYSA-N -1 0 370.431 -0.565 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCS(=O)(=O)C3)C2)c1[O-] ZINC000948417963 661746587 /nfs/dbraw/zinc/74/65/87/661746587.db2.gz SMZJXHKFYNFOJL-FBIMIBRVSA-N -1 0 370.431 -0.565 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCCS3(=O)=O)C2)c1[O-] ZINC000948418116 661746621 /nfs/dbraw/zinc/74/66/21/661746621.db2.gz XJWPKOCIBMTHTE-FBIMIBRVSA-N -1 0 370.431 -0.422 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCCS3(=O)=O)C2)c1[O-] ZINC000948418117 661746497 /nfs/dbraw/zinc/74/64/97/661746497.db2.gz XJWPKOCIBMTHTE-IEBDPFPHSA-N -1 0 370.431 -0.422 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)CC3CS(=O)(=O)C3)C2)c1[O-] ZINC000948418128 661746525 /nfs/dbraw/zinc/74/65/25/661746525.db2.gz YNEDGSLBQPVOMW-LDYMZIIASA-N -1 0 370.431 -0.565 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CN(C)C(=O)N3)C2)c1[O-] ZINC000948421469 661746590 /nfs/dbraw/zinc/74/65/90/661746590.db2.gz DZMBGJOGRZNRJL-QNSHHTMESA-N -1 0 350.379 -0.976 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CN(C)C(=O)N3)C2)c1[O-] ZINC000948421470 661746573 /nfs/dbraw/zinc/74/65/73/661746573.db2.gz DZMBGJOGRZNRJL-SZEHBUNVSA-N -1 0 350.379 -0.976 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000948421694 661746652 /nfs/dbraw/zinc/74/66/52/661746652.db2.gz JAJIBCKOLKNLGN-KMUQISDUSA-N -1 0 352.391 -0.196 20 0 FBADRM CC[C@H](SC)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000948424353 661746601 /nfs/dbraw/zinc/74/66/01/661746601.db2.gz GURHBSSPYBOZPP-BBBLOLIVSA-N -1 0 357.436 -0.206 20 0 FBADRM CC[C@@H](SC)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000948424357 661746626 /nfs/dbraw/zinc/74/66/26/661746626.db2.gz GURHBSSPYBOZPP-OPRDCNLKSA-N -1 0 357.436 -0.206 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CCC(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000948458930 661747506 /nfs/dbraw/zinc/74/75/06/661747506.db2.gz QHAHUQUKFLNJSD-SKDRFNHKSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CCC(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000948459017 661747395 /nfs/dbraw/zinc/74/73/95/661747395.db2.gz UCVKOYGHGCLQMX-KCJUWKMLSA-N -1 0 351.363 -0.571 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C)c1[O-] ZINC000948472654 661747689 /nfs/dbraw/zinc/74/76/89/661747689.db2.gz VSXSVPXCFQLMKW-ZYHUDNBSSA-N -1 0 351.407 -0.667 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CCC(NC(=O)c3n[nH]c(=O)[n-]c3=O)CC2)O1 ZINC000948523568 661747937 /nfs/dbraw/zinc/74/79/37/661747937.db2.gz IRADSEJXKYVZSS-PSASIEDQSA-N -1 0 351.363 -0.429 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CCC(NC(=O)Cn3c(=O)[n-][nH]c3=O)CC2)O1 ZINC000948523686 661747894 /nfs/dbraw/zinc/74/78/94/661747894.db2.gz OAQSBXGQLTWEGB-MWLCHTKSSA-N -1 0 353.379 -0.636 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3COCCN3C)C[C@H]2C)c1[O-] ZINC000948567845 661748273 /nfs/dbraw/zinc/74/82/73/661748273.db2.gz ZSIKIQMKAXYZDQ-JLLWLGSASA-N -1 0 351.407 -0.669 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3COCCN3C)C[C@H]2C)c1[O-] ZINC000948567846 661748290 /nfs/dbraw/zinc/74/82/90/661748290.db2.gz ZSIKIQMKAXYZDQ-YUSALJHKSA-N -1 0 351.407 -0.669 20 0 FBADRM Cc1nscc1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000948573566 661748276 /nfs/dbraw/zinc/74/82/76/661748276.db2.gz MNIFSPDPHCHROM-GMSGAONNSA-N -1 0 366.403 -0.269 20 0 FBADRM Cc1nscc1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000948573594 661748296 /nfs/dbraw/zinc/74/82/96/661748296.db2.gz NARDKPKBFKUHAZ-HZGVNTEJSA-N -1 0 364.387 -0.062 20 0 FBADRM Cc1nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)co1 ZINC000948651192 661748987 /nfs/dbraw/zinc/74/89/87/661748987.db2.gz NKVRFEYUOTYRJJ-VXNVDRBHSA-N -1 0 350.335 -0.737 20 0 FBADRM Cc1cc(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)ns1 ZINC000948732011 661749910 /nfs/dbraw/zinc/74/99/10/661749910.db2.gz LZZFJJFAUZLCHO-HZGVNTEJSA-N -1 0 364.387 -0.062 20 0 FBADRM Cc1cc(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)ns1 ZINC000948736275 661749930 /nfs/dbraw/zinc/74/99/30/661749930.db2.gz CXDFPKOPNZIRPH-GMSGAONNSA-N -1 0 366.403 -0.269 20 0 FBADRM C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000948788055 661750346 /nfs/dbraw/zinc/75/03/46/661750346.db2.gz RZYCTHHCZBBBLJ-MWLCHTKSSA-N -1 0 352.391 -0.776 20 0 FBADRM CO[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000948801744 661750640 /nfs/dbraw/zinc/75/06/40/661750640.db2.gz SGTZQVQUDPYAMH-BCMRRPTOSA-N -1 0 351.363 -0.716 20 0 FBADRM CO[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC000948801745 661750711 /nfs/dbraw/zinc/75/07/11/661750711.db2.gz SGTZQVQUDPYAMH-ZOFUNIGCSA-N -1 0 351.363 -0.716 20 0 FBADRM CO[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000948801854 661750726 /nfs/dbraw/zinc/75/07/26/661750726.db2.gz WHGJKMFRKGNZDW-HLUHBDAQSA-N -1 0 353.379 -0.923 20 0 FBADRM CO[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C1CC1 ZINC000948801855 661750627 /nfs/dbraw/zinc/75/06/27/661750627.db2.gz WHGJKMFRKGNZDW-UISBYWKRSA-N -1 0 353.379 -0.923 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C(F)F)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000948847319 661751170 /nfs/dbraw/zinc/75/11/70/661751170.db2.gz DCDSCGDZZWUYEX-VGRMVHKJSA-N -1 0 357.317 -0.239 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C(F)F)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000948851397 661751470 /nfs/dbraw/zinc/75/14/70/661751470.db2.gz GGHWTGXFNQLIFO-RYPBNFRJSA-N -1 0 359.333 -0.446 20 0 FBADRM CC(C)[C@@H](O)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000948884171 661751767 /nfs/dbraw/zinc/75/17/67/661751767.db2.gz NJBCZKYMQZQKAD-YUSALJHKSA-N -1 0 352.391 -0.921 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CO[C@H]3CCOC3)C[C@H]2C)c1[O-] ZINC000949020817 661752938 /nfs/dbraw/zinc/75/29/38/661752938.db2.gz JWYSFIYRXUXVEW-ADEWGFFLSA-N -1 0 352.391 -0.194 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CO[C@@H]3CCOC3)C[C@H]2C)c1[O-] ZINC000949020818 661752812 /nfs/dbraw/zinc/75/28/12/661752812.db2.gz JWYSFIYRXUXVEW-YUSALJHKSA-N -1 0 352.391 -0.194 20 0 FBADRM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000949039814 661753116 /nfs/dbraw/zinc/75/31/16/661753116.db2.gz GZEXBSUYDZMIAU-HTQZYQBOSA-N -1 0 359.333 -0.302 20 0 FBADRM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000949040551 661753068 /nfs/dbraw/zinc/75/30/68/661753068.db2.gz XNIOSYZZKIKQTI-RNFRBKRXSA-N -1 0 357.317 -0.095 20 0 FBADRM C[C@@H]1CN(C(=O)Cc2cscn2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000949125433 661753896 /nfs/dbraw/zinc/75/38/96/661753896.db2.gz CVMBDRDYHVWRRO-PSASIEDQSA-N -1 0 366.403 -0.648 20 0 FBADRM C[C@@H]1CN(C(=O)Cc2cscn2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000949125712 661754211 /nfs/dbraw/zinc/75/42/11/661754211.db2.gz SNWREEVWPICQRO-VXNVDRBHSA-N -1 0 364.387 -0.441 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]2C)c1[O-] ZINC000949344127 661757373 /nfs/dbraw/zinc/75/73/73/661757373.db2.gz DEWGMHLTWGEAPL-GMSGAONNSA-N -1 0 356.404 -0.955 20 0 FBADRM C[C@@H]1CN(C(=O)c2coc(S(C)(=O)=O)c2)C[C@H]1NC(=O)c1cn[nH]n1 ZINC000949538050 661760494 /nfs/dbraw/zinc/76/04/94/661760494.db2.gz MRMUFGUGJDKUCW-LDYMZIIASA-N -1 0 367.387 -0.308 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCS3(=O)=O)C[C@H]2C)c1[O-] ZINC000949565665 661761009 /nfs/dbraw/zinc/76/10/09/661761009.db2.gz MQPMZWZFALFTKC-FBIMIBRVSA-N -1 0 370.431 -0.422 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@H]2C)c1[O-] ZINC000949565666 661760971 /nfs/dbraw/zinc/76/09/71/661760971.db2.gz MQPMZWZFALFTKC-IEBDPFPHSA-N -1 0 370.431 -0.422 20 0 FBADRM C[C@@H]1CN(C(=O)c2ccns2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000949667243 661762201 /nfs/dbraw/zinc/76/22/01/661762201.db2.gz JGMNIDMDOVCEPP-PSASIEDQSA-N -1 0 363.399 -0.167 20 0 FBADRM C[C@@H]1CN(C(=O)c2ccns2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000949672629 661762151 /nfs/dbraw/zinc/76/21/51/661762151.db2.gz DHZGIEVTBWRAEM-RNFRBKRXSA-N -1 0 350.360 -0.370 20 0 FBADRM C[C@@H]1CN(C(=O)c2ccns2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000949674934 661762235 /nfs/dbraw/zinc/76/22/35/661762235.db2.gz KWTBRJOPYXULQN-HTQZYQBOSA-N -1 0 352.376 -0.577 20 0 FBADRM C[C@@H]1CN(C(=O)Cc2cncs2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000950022226 661765317 /nfs/dbraw/zinc/76/53/17/661765317.db2.gz BQVCXUGPTAJAIM-VXNVDRBHSA-N -1 0 364.387 -0.441 20 0 FBADRM C[C@@H]1CN(C(=O)Cc2cncs2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000950025913 661765292 /nfs/dbraw/zinc/76/52/92/661765292.db2.gz UEXJNKBRRGYZPO-PSASIEDQSA-N -1 0 366.403 -0.648 20 0 FBADRM COC1CC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC000950088842 661765620 /nfs/dbraw/zinc/76/56/20/661765620.db2.gz GBXNXBNBRYZXFK-SEZDTBSWSA-N -1 0 351.363 -0.716 20 0 FBADRM COC1CC(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC000950088986 661765657 /nfs/dbraw/zinc/76/56/57/661765657.db2.gz JTRJOLXTRAQTDZ-AGVGLQIMSA-N -1 0 353.379 -0.923 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCC[C@H](NC(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000950453987 661767992 /nfs/dbraw/zinc/76/79/92/661767992.db2.gz GFAOMLIFHBMEST-MJVIPROJSA-N -1 0 352.391 -0.052 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCC[C@@H](NC(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000950453989 661768015 /nfs/dbraw/zinc/76/80/15/661768015.db2.gz GFAOMLIFHBMEST-WDMOLILDSA-N -1 0 352.391 -0.052 20 0 FBADRM C[C@@H]1CN(C(=O)c2ccsn2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000950554302 661769046 /nfs/dbraw/zinc/76/90/46/661769046.db2.gz CASWCLBJBAIMDX-HTRCEHHLSA-N -1 0 350.360 -0.370 20 0 FBADRM C[C@@H]1CN(C(=O)c2ccsn2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000950556979 661768979 /nfs/dbraw/zinc/76/89/79/661768979.db2.gz HCFRTDITEWMNLX-VXNVDRBHSA-N -1 0 352.376 -0.577 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CCC2(F)F)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000950561779 661769269 /nfs/dbraw/zinc/76/92/69/661769269.db2.gz JOKFOCKFFHZPOI-HRDYMLBCSA-N -1 0 359.333 -0.302 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2CCC2(F)F)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000950561784 661769266 /nfs/dbraw/zinc/76/92/66/661769266.db2.gz JOKFOCKFFHZPOI-IWSPIJDZSA-N -1 0 359.333 -0.302 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2CCC2(F)F)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000950562149 661769241 /nfs/dbraw/zinc/76/92/41/661769241.db2.gz PZOKQSDOVTURMA-BWZBUEFSSA-N -1 0 357.317 -0.095 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CCC2(F)F)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000950562150 661769253 /nfs/dbraw/zinc/76/92/53/661769253.db2.gz PZOKQSDOVTURMA-GJMOJQLCSA-N -1 0 357.317 -0.095 20 0 FBADRM C[C@@H]1CN(C(=O)c2ccsn2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000950566486 661769116 /nfs/dbraw/zinc/76/91/16/661769116.db2.gz YPDBYCPZPPIPHH-LDYMZIIASA-N -1 0 363.399 -0.167 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)C[C@H]2C)c1[O-] ZINC000950653750 661770336 /nfs/dbraw/zinc/77/03/36/661770336.db2.gz RDDJAWIADFJIOL-KMUQISDUSA-N -1 0 352.391 -0.196 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000950767801 661771743 /nfs/dbraw/zinc/77/17/43/661771743.db2.gz KYQNDHVPXMHWMW-KKZNHRDASA-N -1 0 351.363 -0.571 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000950767804 661771929 /nfs/dbraw/zinc/77/19/29/661771929.db2.gz KYQNDHVPXMHWMW-YWVKMMECSA-N -1 0 351.363 -0.571 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000950770762 661772032 /nfs/dbraw/zinc/77/20/32/661772032.db2.gz ANIHRHRDDRMCNN-FOGDFJRCSA-N -1 0 353.379 -0.779 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000950770771 661771981 /nfs/dbraw/zinc/77/19/81/661771981.db2.gz ANIHRHRDDRMCNN-SCVCMEIPSA-N -1 0 353.379 -0.779 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)c1[O-] ZINC000950788195 661772357 /nfs/dbraw/zinc/77/23/57/661772357.db2.gz FUGRSGMZMKMISU-ADEWGFFLSA-N -1 0 351.407 -0.526 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)c1[O-] ZINC000950788197 661772203 /nfs/dbraw/zinc/77/22/03/661772203.db2.gz FUGRSGMZMKMISU-YUSALJHKSA-N -1 0 351.407 -0.526 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@H]2C)c1[O-] ZINC000950859752 661774139 /nfs/dbraw/zinc/77/41/39/661774139.db2.gz PPBVTGBGZDNBNL-LDYMZIIASA-N -1 0 370.431 -0.565 20 0 FBADRM C[C@@H]1CN(C(=O)C2(F)CCCC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000950878947 661775135 /nfs/dbraw/zinc/77/51/35/661775135.db2.gz BXJAUIHSZOKRPY-NXEZZACHSA-N -1 0 355.370 -0.065 20 0 FBADRM CCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000950969971 661776413 /nfs/dbraw/zinc/77/64/13/661776413.db2.gz JXHABNLTSLFFLG-VHRBIJSZSA-N -1 0 351.407 -0.406 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@H]2C)c1[O-] ZINC000951003551 661777823 /nfs/dbraw/zinc/77/78/23/661777823.db2.gz UCGMDNSDZLFPRN-FKTZTGRPSA-N -1 0 358.420 -0.566 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@H]2C)c1[O-] ZINC000951003552 661777851 /nfs/dbraw/zinc/77/78/51/661777851.db2.gz UCGMDNSDZLFPRN-SZEHBUNVSA-N -1 0 358.420 -0.566 20 0 FBADRM C[C@@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C(C)(C)F ZINC000951198210 661779338 /nfs/dbraw/zinc/77/93/38/661779338.db2.gz PAFKBLGQKMQYOB-PSASIEDQSA-N -1 0 355.370 -0.073 20 0 FBADRM C[C@@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C(C)(F)F ZINC000951198679 661779317 /nfs/dbraw/zinc/77/93/17/661779317.db2.gz ZQIJZYHHJRFELW-VXNVDRBHSA-N -1 0 359.333 -0.166 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2CCCN(C(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000951225427 661779506 /nfs/dbraw/zinc/77/95/06/661779506.db2.gz BVIQBGTYTMRESC-MJVIPROJSA-N -1 0 352.391 -0.052 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(C(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000951225428 661779570 /nfs/dbraw/zinc/77/95/70/661779570.db2.gz BVIQBGTYTMRESC-WDMOLILDSA-N -1 0 352.391 -0.052 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297695 661781054 /nfs/dbraw/zinc/78/10/54/661781054.db2.gz HZAFBJYWKXIBFT-AEJSXWLSSA-N -1 0 351.363 -0.571 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951297696 661781072 /nfs/dbraw/zinc/78/10/72/661781072.db2.gz HZAFBJYWKXIBFT-BBBLOLIVSA-N -1 0 351.363 -0.571 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951300529 661781017 /nfs/dbraw/zinc/78/10/17/661781017.db2.gz SNICLJAMEUYUHW-KKZNHRDASA-N -1 0 351.363 -0.571 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951300530 661781041 /nfs/dbraw/zinc/78/10/41/661781041.db2.gz SNICLJAMEUYUHW-YWVKMMECSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000951453026 661782112 /nfs/dbraw/zinc/78/21/12/661782112.db2.gz JPVINPWUBICWEA-FOGDFJRCSA-N -1 0 350.375 -0.758 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000951453027 661781938 /nfs/dbraw/zinc/78/19/38/661781938.db2.gz JPVINPWUBICWEA-SCVCMEIPSA-N -1 0 350.375 -0.758 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@@H]2CNC(=O)c2cnc([O-])n(C)c2=O)O1 ZINC000951453444 661782029 /nfs/dbraw/zinc/78/20/29/661782029.db2.gz SOQMSHJSAHZBQD-CKYFFXLPSA-N -1 0 350.375 -0.616 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@H]2CNC(=O)c2cnc([O-])n(C)c2=O)O1 ZINC000951453445 661781897 /nfs/dbraw/zinc/78/18/97/661781897.db2.gz SOQMSHJSAHZBQD-JFGNBEQYSA-N -1 0 350.375 -0.616 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000951460956 661781989 /nfs/dbraw/zinc/78/19/89/661781989.db2.gz IBEMQPOZEVRGQT-KKZNHRDASA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000951460957 661782108 /nfs/dbraw/zinc/78/21/08/661782108.db2.gz IBEMQPOZEVRGQT-YWVKMMECSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC000951460984 661781906 /nfs/dbraw/zinc/78/19/06/661781906.db2.gz IZHFEOQNBGBOPC-KXUCPTDWSA-N -1 0 351.363 -0.429 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC000951460985 661782053 /nfs/dbraw/zinc/78/20/53/661782053.db2.gz IZHFEOQNBGBOPC-OPRDCNLKSA-N -1 0 351.363 -0.429 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951499761 661782268 /nfs/dbraw/zinc/78/22/68/661782268.db2.gz FRXLSBJJHBSBIY-AEJSXWLSSA-N -1 0 351.363 -0.571 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000951499762 661782332 /nfs/dbraw/zinc/78/23/32/661782332.db2.gz FRXLSBJJHBSBIY-BBBLOLIVSA-N -1 0 351.363 -0.571 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000951500285 661782340 /nfs/dbraw/zinc/78/23/40/661782340.db2.gz UEJFVGBGQPXOFX-AXFHLTTASA-N -1 0 353.379 -0.779 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000951500286 661782280 /nfs/dbraw/zinc/78/22/80/661782280.db2.gz UEJFVGBGQPXOFX-MXWKQRLJSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)O1 ZINC000951512191 661782362 /nfs/dbraw/zinc/78/23/62/661782362.db2.gz DWCHUUMOWOGLQR-GMTAPVOTSA-N -1 0 353.379 -0.636 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)O1 ZINC000951512192 661782291 /nfs/dbraw/zinc/78/22/91/661782291.db2.gz DWCHUUMOWOGLQR-OUAUKWLOSA-N -1 0 353.379 -0.636 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000951513585 661782676 /nfs/dbraw/zinc/78/26/76/661782676.db2.gz XEFCMFGDGAMCSK-FOGDFJRCSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000951513586 661782741 /nfs/dbraw/zinc/78/27/41/661782741.db2.gz XEFCMFGDGAMCSK-SCVCMEIPSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@]2(C)CCCS2(=O)=O)C[C@H]1NC(=O)c1cn[nH]n1 ZINC000951582098 661783106 /nfs/dbraw/zinc/78/31/06/661783106.db2.gz UAHTUGWKZSIKQH-GLXFQSAKSA-N -1 0 355.420 -0.651 20 0 FBADRM C[C@@H]1CN(C(=O)[C@]2(C)CCCS2(=O)=O)C[C@H]1NC(=O)c1cn[nH]n1 ZINC000951582099 661783244 /nfs/dbraw/zinc/78/32/44/661783244.db2.gz UAHTUGWKZSIKQH-UDZFHETQSA-N -1 0 355.420 -0.651 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C3)C[C@H]2C)c1[O-] ZINC000951617625 661783592 /nfs/dbraw/zinc/78/35/92/661783592.db2.gz DFQPRERJWIWZGZ-DVVUODLYSA-N -1 0 370.431 -0.565 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C3)C[C@H]2C)c1[O-] ZINC000951617726 661783627 /nfs/dbraw/zinc/78/36/27/661783627.db2.gz DFQPRERJWIWZGZ-FBIMIBRVSA-N -1 0 370.431 -0.565 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000952057936 661787632 /nfs/dbraw/zinc/78/76/32/661787632.db2.gz AALXEZMIJXFKLL-KKZNHRDASA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000952057937 661787755 /nfs/dbraw/zinc/78/77/55/661787755.db2.gz AALXEZMIJXFKLL-YWVKMMECSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000952061069 661787776 /nfs/dbraw/zinc/78/77/76/661787776.db2.gz YLBNSGJSMRYVMF-FOGDFJRCSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000952061070 661787759 /nfs/dbraw/zinc/78/77/59/661787759.db2.gz YLBNSGJSMRYVMF-SCVCMEIPSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CCC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC000952112255 661787834 /nfs/dbraw/zinc/78/78/34/661787834.db2.gz CGVFYYJPIFWTBQ-KXUCPTDWSA-N -1 0 351.363 -0.429 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC000952112256 661787861 /nfs/dbraw/zinc/78/78/61/661787861.db2.gz CGVFYYJPIFWTBQ-OPRDCNLKSA-N -1 0 351.363 -0.429 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)O1 ZINC000952114484 661787891 /nfs/dbraw/zinc/78/78/91/661787891.db2.gz FZMFITXJNUTIPW-GMTAPVOTSA-N -1 0 353.379 -0.636 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CCC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)O1 ZINC000952114485 661787863 /nfs/dbraw/zinc/78/78/63/661787863.db2.gz FZMFITXJNUTIPW-OUAUKWLOSA-N -1 0 353.379 -0.636 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000952171999 661789529 /nfs/dbraw/zinc/78/95/29/661789529.db2.gz REJLJKAWDZBKFU-FOGDFJRCSA-N -1 0 350.375 -0.758 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000952172000 661789587 /nfs/dbraw/zinc/78/95/87/661789587.db2.gz REJLJKAWDZBKFU-SCVCMEIPSA-N -1 0 350.375 -0.758 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN2C(=O)c2cnc([O-])n(C)c2=O)O1 ZINC000952209572 661789748 /nfs/dbraw/zinc/78/97/48/661789748.db2.gz UJBNMTCXWGJIOR-CKYFFXLPSA-N -1 0 350.375 -0.616 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN2C(=O)c2cnc([O-])n(C)c2=O)O1 ZINC000952209573 661789847 /nfs/dbraw/zinc/78/98/47/661789847.db2.gz UJBNMTCXWGJIOR-JFGNBEQYSA-N -1 0 350.375 -0.616 20 0 FBADRM C[C@@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000952446096 661791057 /nfs/dbraw/zinc/79/10/57/661791057.db2.gz ROCHHIGAPVLVNN-GMSGAONNSA-N -1 0 352.326 -0.567 20 0 FBADRM C[C@@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000952446197 661790972 /nfs/dbraw/zinc/79/09/72/661790972.db2.gz ZPTCDTQEJWGPGB-HZGVNTEJSA-N -1 0 350.310 -0.360 20 0 FBADRM Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)c1[O-] ZINC000954071714 661793937 /nfs/dbraw/zinc/79/39/37/661793937.db2.gz VHXUFLZPPIYJTC-BXKDBHETSA-N -1 0 351.407 -0.574 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N(C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954638925 661799045 /nfs/dbraw/zinc/79/90/45/661799045.db2.gz OPCOAGBSRIZOMJ-KCJUWKMLSA-N -1 0 351.363 -0.619 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N(C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954639363 661799127 /nfs/dbraw/zinc/79/91/27/661799127.db2.gz XRPUFQKIVSVRKU-SKDRFNHKSA-N -1 0 353.379 -0.826 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)c1[O-] ZINC000954646575 661799561 /nfs/dbraw/zinc/79/95/61/661799561.db2.gz KCEGRKQHGWOTQU-BXKDBHETSA-N -1 0 351.407 -0.574 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954876969 661802478 /nfs/dbraw/zinc/80/24/78/661802478.db2.gz ILEGQULRTIUAJW-KCJUWKMLSA-N -1 0 351.363 -0.619 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954878019 661802528 /nfs/dbraw/zinc/80/25/28/661802528.db2.gz JOFAJKYBRPTZPT-ZJUUUORDSA-N -1 0 351.363 -0.619 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954934262 661802878 /nfs/dbraw/zinc/80/28/78/661802878.db2.gz YLBNXJNYAHRJIU-MNOVXSKESA-N -1 0 353.379 -0.826 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954937249 661802868 /nfs/dbraw/zinc/80/28/68/661802868.db2.gz BFMRVRWXAJLQRM-SKDRFNHKSA-N -1 0 353.379 -0.826 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000954950744 661802798 /nfs/dbraw/zinc/80/27/98/661802798.db2.gz CNEJPORHXPWSQG-SKDRFNHKSA-N -1 0 350.375 -0.806 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CC(N(C)C(=O)c3cnc([O-])n(C)c3=O)C2)O1 ZINC000954951315 661802888 /nfs/dbraw/zinc/80/28/88/661802888.db2.gz QULSLGKVWDLXPL-BXKDBHETSA-N -1 0 350.375 -0.664 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954988195 661803105 /nfs/dbraw/zinc/80/31/05/661803105.db2.gz UGHSKNYYZBFWSN-ZJUUUORDSA-N -1 0 351.363 -0.619 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000954990269 661803509 /nfs/dbraw/zinc/80/35/09/661803509.db2.gz VQLHHVQBBCAIFS-MNOVXSKESA-N -1 0 353.379 -0.826 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N(C)C1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000955362870 661807313 /nfs/dbraw/zinc/80/73/13/661807313.db2.gz RMNQNAPQZXGLEM-SKDRFNHKSA-N -1 0 350.375 -0.806 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N(C)C2CN(C(=O)c3cnc([O-])n(C)c3=O)C2)O1 ZINC000955408570 661807833 /nfs/dbraw/zinc/80/78/33/661807833.db2.gz NWWYNXWSTMYVDR-BXKDBHETSA-N -1 0 350.375 -0.664 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCC[C@H]2CNC(=O)[C@H]2OCCO[C@H]2C)c1[O-] ZINC000955967891 661808527 /nfs/dbraw/zinc/80/85/27/661808527.db2.gz GAOGOKSLXWHAEC-MJVIPROJSA-N -1 0 352.391 -0.052 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2C(=O)[C@H]2OCCO[C@H]2C)c1[O-] ZINC000956073362 661809497 /nfs/dbraw/zinc/80/94/97/661809497.db2.gz PVLBAYKJKIIZDB-MJVIPROJSA-N -1 0 352.391 -0.052 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCN2C(=O)c2n[nH]c(=O)[n-]c2=O)O1 ZINC000956121038 661810042 /nfs/dbraw/zinc/81/00/42/661810042.db2.gz FMNQOJJVHSXVET-KXUCPTDWSA-N -1 0 351.363 -0.429 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000956121541 661809893 /nfs/dbraw/zinc/80/98/93/661809893.db2.gz PENMEVYJLGFBAH-YWVKMMECSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCN2C(=O)Cn2c(=O)[n-][nH]c2=O)O1 ZINC000956130654 661809986 /nfs/dbraw/zinc/80/99/86/661809986.db2.gz MXFUWBRSHPHSPT-OUAUKWLOSA-N -1 0 353.379 -0.636 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000956130875 661809956 /nfs/dbraw/zinc/80/99/56/661809956.db2.gz QWZQUNLATDUMCP-SCVCMEIPSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000956232843 661810872 /nfs/dbraw/zinc/81/08/72/661810872.db2.gz VUJCBZMOFQUVKK-YWVKMMECSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)O1 ZINC000956243238 661810892 /nfs/dbraw/zinc/81/08/92/661810892.db2.gz DKGNFNQBGOICCJ-KXUCPTDWSA-N -1 0 351.363 -0.429 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(C(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000956829589 661814759 /nfs/dbraw/zinc/81/47/59/661814759.db2.gz FAVINHZTLXRWNX-NKFCBESUSA-N -1 0 352.391 -0.052 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@]2(C)CCN(C(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000956829590 661814762 /nfs/dbraw/zinc/81/47/62/661814762.db2.gz FAVINHZTLXRWNX-YNZJMPHRSA-N -1 0 352.391 -0.052 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@](C)(NC(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000957156348 661817746 /nfs/dbraw/zinc/81/77/46/661817746.db2.gz VOLLBKGIMXFVPC-NKFCBESUSA-N -1 0 352.391 -0.052 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@@](C)(NC(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000957156349 661817883 /nfs/dbraw/zinc/81/78/83/661817883.db2.gz VOLLBKGIMXFVPC-YNZJMPHRSA-N -1 0 352.391 -0.052 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@@](C)(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC000957236864 661818621 /nfs/dbraw/zinc/81/86/21/661818621.db2.gz LPRBYAXJYIHSFB-KEMUVXCRSA-N -1 0 351.363 -0.429 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@](C)(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC000957236865 661818494 /nfs/dbraw/zinc/81/84/94/661818494.db2.gz LPRBYAXJYIHSFB-XWRVAKJBSA-N -1 0 351.363 -0.429 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@](C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957237212 661818514 /nfs/dbraw/zinc/81/85/14/661818514.db2.gz UBFKVTGVMZPTFX-OWCSCZDJSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@](C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957237213 661818631 /nfs/dbraw/zinc/81/86/31/661818631.db2.gz UBFKVTGVMZPTFX-UYNUJQBQSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1CN(C(=O)c2csnn2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000957299315 661819008 /nfs/dbraw/zinc/81/90/08/661819008.db2.gz QJYXPKPPYDNDAF-PHDIDXHHSA-N -1 0 351.348 -0.975 20 0 FBADRM C[C@@H]1CN(C(=O)c2csnn2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000957304197 661819375 /nfs/dbraw/zinc/81/93/75/661819375.db2.gz YJVDOCBWHNEUKL-VXNVDRBHSA-N -1 0 364.387 -0.772 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)c1csnn1 ZINC000957361844 661819938 /nfs/dbraw/zinc/81/99/38/661819938.db2.gz RMUZUQRIMPEXLF-PHDIDXHHSA-N -1 0 351.348 -0.975 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)c1cnns1 ZINC000957364033 661819937 /nfs/dbraw/zinc/81/99/37/661819937.db2.gz AXYVWQRQAGXAGI-PHDIDXHHSA-N -1 0 351.348 -0.975 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)c1cncs1 ZINC000957364071 661819903 /nfs/dbraw/zinc/81/99/03/661819903.db2.gz DCVQJPXHXNXNBD-RNFRBKRXSA-N -1 0 350.360 -0.370 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)c1ccsn1 ZINC000957364074 661819940 /nfs/dbraw/zinc/81/99/40/661819940.db2.gz DMVQXFHUZUCPEA-HTRCEHHLSA-N -1 0 350.360 -0.370 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C[C@@H]1CCOC1 ZINC000957364100 661819981 /nfs/dbraw/zinc/81/99/81/661819981.db2.gz GGHFRWHYHUXFAC-KXUCPTDWSA-N -1 0 351.363 -0.714 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)c1cc(F)c[nH]1 ZINC000957364121 661819959 /nfs/dbraw/zinc/81/99/59/661819959.db2.gz HRRYONULFZYPMX-HZGVNTEJSA-N -1 0 350.310 -0.360 20 0 FBADRM Cc1ncsc1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC000957364149 661819936 /nfs/dbraw/zinc/81/99/36/661819936.db2.gz IYTKFSBAYOCPMA-HTRCEHHLSA-N -1 0 364.387 -0.062 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)c1cscn1 ZINC000957364150 661819931 /nfs/dbraw/zinc/81/99/31/661819931.db2.gz JDPJBADNNJGBOS-RNFRBKRXSA-N -1 0 350.360 -0.370 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)[C@H]1CCCOC1 ZINC000957364177 661819977 /nfs/dbraw/zinc/81/99/77/661819977.db2.gz KUVLZJBLLWJHEM-KXUCPTDWSA-N -1 0 351.363 -0.714 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)[C@@H]1CCCOC1 ZINC000957364178 661819891 /nfs/dbraw/zinc/81/98/91/661819891.db2.gz KUVLZJBLLWJHEM-OPRDCNLKSA-N -1 0 351.363 -0.714 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)c1cnsn1 ZINC000957364181 661819910 /nfs/dbraw/zinc/81/99/10/661819910.db2.gz KYJBLIHOMVPDCW-IYSWYEEDSA-N -1 0 351.348 -0.975 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)Cc1cscn1 ZINC000957364264 661820234 /nfs/dbraw/zinc/82/02/34/661820234.db2.gz PRKNCTIGGRIGNB-VXNVDRBHSA-N -1 0 364.387 -0.441 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)[C@H]1CCC1(F)F ZINC000957364270 661820237 /nfs/dbraw/zinc/82/02/37/661820237.db2.gz PXWAPCJUEQWYEN-BWZBUEFSSA-N -1 0 357.317 -0.095 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)[C@@H]1CCC1(F)F ZINC000957364271 661820277 /nfs/dbraw/zinc/82/02/77/661820277.db2.gz PXWAPCJUEQWYEN-GJMOJQLCSA-N -1 0 357.317 -0.095 20 0 FBADRM Cc1ncc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2C)s1 ZINC000957364286 661820266 /nfs/dbraw/zinc/82/02/66/661820266.db2.gz QTPMANGEFTYRCV-HTRCEHHLSA-N -1 0 364.387 -0.062 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C[C@@H]1CCCO1 ZINC000957364341 661820185 /nfs/dbraw/zinc/82/01/85/661820185.db2.gz UKSIXWBGWJNMCA-KXUCPTDWSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C[C@H]1CCCO1 ZINC000957364342 661820236 /nfs/dbraw/zinc/82/02/36/661820236.db2.gz UKSIXWBGWJNMCA-OPRDCNLKSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)c1ccns1 ZINC000957364359 661820259 /nfs/dbraw/zinc/82/02/59/661820259.db2.gz VOWMIEWOXLEJFS-RNFRBKRXSA-N -1 0 350.360 -0.370 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)[C@@H]1CCCCO1 ZINC000957364360 661820170 /nfs/dbraw/zinc/82/01/70/661820170.db2.gz VQNOGMWPGPHLKN-BBBLOLIVSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)[C@H]1CCCCO1 ZINC000957364361 661820265 /nfs/dbraw/zinc/82/02/65/661820265.db2.gz VQNOGMWPGPHLKN-OPRDCNLKSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)[C@H]1C[C@@H]1C(F)F ZINC000957364371 661820286 /nfs/dbraw/zinc/82/02/86/661820286.db2.gz VVLDJVXIHLURJE-VGRMVHKJSA-N -1 0 357.317 -0.239 20 0 FBADRM Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2C)ns1 ZINC000957364401 661820238 /nfs/dbraw/zinc/82/02/38/661820238.db2.gz XAYMTASYFKCILP-HZGVNTEJSA-N -1 0 364.387 -0.062 20 0 FBADRM Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC000957364404 661820254 /nfs/dbraw/zinc/82/02/54/661820254.db2.gz XHAKXCGPXBHOHM-IYSWYEEDSA-N -1 0 365.375 -0.667 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C1CC(F)(F)C1 ZINC000957364406 661820235 /nfs/dbraw/zinc/82/02/35/661820235.db2.gz XISHHIZDNDUDKJ-HTRCEHHLSA-N -1 0 357.317 -0.095 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C1CCOCC1 ZINC000957364415 661820217 /nfs/dbraw/zinc/82/02/17/661820217.db2.gz XWANIXLIXRAFSA-PSASIEDQSA-N -1 0 351.363 -0.714 20 0 FBADRM Cc1nscc1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC000957364446 661820245 /nfs/dbraw/zinc/82/02/45/661820245.db2.gz ZREPGZFUGNLZOR-HZGVNTEJSA-N -1 0 364.387 -0.062 20 0 FBADRM COC1CC(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2C)C1 ZINC000957367187 661820193 /nfs/dbraw/zinc/82/01/93/661820193.db2.gz NQLCPARNLFYHBZ-SEZDTBSWSA-N -1 0 351.363 -0.716 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)Cc1cncs1 ZINC000957367591 661820211 /nfs/dbraw/zinc/82/02/11/661820211.db2.gz XRZCXEJYIAUKQN-VXNVDRBHSA-N -1 0 364.387 -0.441 20 0 FBADRM Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC000957525519 661821035 /nfs/dbraw/zinc/82/10/35/661821035.db2.gz FETMEYLKCBWFPN-HTRCEHHLSA-N -1 0 367.391 -0.874 20 0 FBADRM Cc1cc(C(=O)N[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C)no1 ZINC000957525622 661821031 /nfs/dbraw/zinc/82/10/31/661821031.db2.gz LASSBHNHEDYLSK-GMSGAONNSA-N -1 0 350.335 -0.737 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)Cc1cccs1 ZINC000957525641 661821061 /nfs/dbraw/zinc/82/10/61/661821061.db2.gz MASIUVNJWRPIFA-MWLCHTKSSA-N -1 0 365.415 -0.043 20 0 FBADRM Cc1cc(C(=O)N[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C)on1 ZINC000957525649 661821091 /nfs/dbraw/zinc/82/10/91/661821091.db2.gz MIAOLXPUSLEVMZ-VXNVDRBHSA-N -1 0 350.335 -0.737 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)c1cc(Cl)c[nH]1 ZINC000957525844 661821342 /nfs/dbraw/zinc/82/13/42/661821342.db2.gz RXYBWWLLAVYGDD-GMSGAONNSA-N -1 0 368.781 -0.052 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)Cc1ccsc1 ZINC000957525978 661821404 /nfs/dbraw/zinc/82/14/04/661821404.db2.gz ZLFSKKPWHAUFSZ-MWLCHTKSSA-N -1 0 365.415 -0.043 20 0 FBADRM Cc1ncc(C(=O)N[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C)s1 ZINC000957527837 661821388 /nfs/dbraw/zinc/82/13/88/661821388.db2.gz BXTQMCHRWFJOBF-VXNVDRBHSA-N -1 0 366.403 -0.269 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)c1ccns1 ZINC000957527841 661821332 /nfs/dbraw/zinc/82/13/32/661821332.db2.gz BZYFHFDDMYERNQ-HTQZYQBOSA-N -1 0 352.376 -0.577 20 0 FBADRM Cc1nscc1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC000957527857 661821364 /nfs/dbraw/zinc/82/13/64/661821364.db2.gz CUALUZXMDNXVEW-GMSGAONNSA-N -1 0 366.403 -0.269 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)c1cncs1 ZINC000957527888 661821418 /nfs/dbraw/zinc/82/14/18/661821418.db2.gz FRSQNAVRMYJUEZ-HTQZYQBOSA-N -1 0 352.376 -0.577 20 0 FBADRM Cc1ncoc1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC000957527890 661821325 /nfs/dbraw/zinc/82/13/25/661821325.db2.gz FSBFUTTVBZUGJC-VXNVDRBHSA-N -1 0 350.335 -0.737 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C[C@@H]1CCOC1 ZINC000957527902 661821392 /nfs/dbraw/zinc/82/13/92/661821392.db2.gz GFXXYZKHSQAAAS-OUAUKWLOSA-N -1 0 353.379 -0.921 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C1CCOCC1 ZINC000957527907 661821316 /nfs/dbraw/zinc/82/13/16/661821316.db2.gz GQUAFCYSWPQFFA-MWLCHTKSSA-N -1 0 353.379 -0.921 20 0 FBADRM Cc1cc(C(=O)N[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C)ns1 ZINC000957527920 661821350 /nfs/dbraw/zinc/82/13/50/661821350.db2.gz HRBGQDGTQJIBTP-GMSGAONNSA-N -1 0 366.403 -0.269 20 0 FBADRM Cc1ncsc1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC000957527934 661821384 /nfs/dbraw/zinc/82/13/84/661821384.db2.gz IOPAPTPVCNMCFI-VXNVDRBHSA-N -1 0 366.403 -0.269 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C1=COCCC1 ZINC000957527940 661821421 /nfs/dbraw/zinc/82/14/21/661821421.db2.gz JCDPJQGYECROSB-MWLCHTKSSA-N -1 0 351.363 -0.653 20 0 FBADRM Cc1ocnc1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC000957527957 661821353 /nfs/dbraw/zinc/82/13/53/661821353.db2.gz KEWPVOJYLYDIRG-VXNVDRBHSA-N -1 0 350.335 -0.737 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C1CC(F)(F)C1 ZINC000957528035 661821415 /nfs/dbraw/zinc/82/14/15/661821415.db2.gz PLZPQKJLMUFARD-VXNVDRBHSA-N -1 0 359.333 -0.302 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)[C@H]1C[C@@H]1C(F)F ZINC000957528086 661821326 /nfs/dbraw/zinc/82/13/26/661821326.db2.gz SVUILOSPHSGBLE-RYPBNFRJSA-N -1 0 359.333 -0.446 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)[C@@H]1CCCOC1 ZINC000957528095 661821328 /nfs/dbraw/zinc/82/13/28/661821328.db2.gz ULJKIYVAZYCOQI-GMTAPVOTSA-N -1 0 353.379 -0.921 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)[C@H]1CCCOC1 ZINC000957528096 661821318 /nfs/dbraw/zinc/82/13/18/661821318.db2.gz ULJKIYVAZYCOQI-OUAUKWLOSA-N -1 0 353.379 -0.921 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)c1cscn1 ZINC000957528103 661821372 /nfs/dbraw/zinc/82/13/72/661821372.db2.gz UYEJLYVHLFAHHC-HTQZYQBOSA-N -1 0 352.376 -0.577 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)[C@H]1CCCCO1 ZINC000957528140 661821319 /nfs/dbraw/zinc/82/13/19/661821319.db2.gz XEGKNHPFDRAVGI-GMTAPVOTSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)[C@@H]1CCCCO1 ZINC000957528141 661821357 /nfs/dbraw/zinc/82/13/57/661821357.db2.gz XEGKNHPFDRAVGI-MXWKQRLJSA-N -1 0 353.379 -0.779 20 0 FBADRM Cc1nc(C(=O)N[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C)co1 ZINC000957528153 661821323 /nfs/dbraw/zinc/82/13/23/661821323.db2.gz XOGYLOJPPNUNIC-VXNVDRBHSA-N -1 0 350.335 -0.737 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C[C@H]1CCCO1 ZINC000957528161 661821321 /nfs/dbraw/zinc/82/13/21/661821321.db2.gz XYZYXPWANNBMNC-GMTAPVOTSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C[C@@H]1CCCO1 ZINC000957528162 661821337 /nfs/dbraw/zinc/82/13/37/661821337.db2.gz XYZYXPWANNBMNC-OUAUKWLOSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)Cc1cncs1 ZINC000957528185 661821320 /nfs/dbraw/zinc/82/13/20/661821320.db2.gz ZKGBTKUWGODEIE-PSASIEDQSA-N -1 0 366.403 -0.648 20 0 FBADRM COC1CC(C(=O)N[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C)C1 ZINC000957528190 661821368 /nfs/dbraw/zinc/82/13/68/661821368.db2.gz ZTASZUVCFUXWBS-AGVGLQIMSA-N -1 0 353.379 -0.923 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)c1cc(F)c[nH]1 ZINC000957530152 661821324 /nfs/dbraw/zinc/82/13/24/661821324.db2.gz JWRPUQHSWAZCOQ-GMSGAONNSA-N -1 0 352.326 -0.567 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)[C@@H]1CCC1(F)F ZINC000957530172 661821347 /nfs/dbraw/zinc/82/13/47/661821347.db2.gz JZXZPWQQARPHJQ-HRDYMLBCSA-N -1 0 359.333 -0.302 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)[C@H]1CCC1(F)F ZINC000957530175 661821374 /nfs/dbraw/zinc/82/13/74/661821374.db2.gz JZXZPWQQARPHJQ-IWSPIJDZSA-N -1 0 359.333 -0.302 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)Cc1cscn1 ZINC000957530265 661821380 /nfs/dbraw/zinc/82/13/80/661821380.db2.gz LVZXZZWSCLFUMB-PSASIEDQSA-N -1 0 366.403 -0.648 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)c1ccsn1 ZINC000957530279 661821330 /nfs/dbraw/zinc/82/13/30/661821330.db2.gz MGBFGWQMUFEEPR-VXNVDRBHSA-N -1 0 352.376 -0.577 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C1(F)CCCC1 ZINC000957530509 661821411 /nfs/dbraw/zinc/82/14/11/661821411.db2.gz VMZDMRLPLSSBIP-NXEZZACHSA-N -1 0 355.370 -0.065 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)[C@@H]1CC1(F)F ZINC000957581055 661821656 /nfs/dbraw/zinc/82/16/56/661821656.db2.gz FRXYYPBNJFCBOS-FKTZTGRPSA-N -1 0 356.329 -0.282 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)[C@H]1CC1(F)F ZINC000957581056 661821956 /nfs/dbraw/zinc/82/19/56/661821956.db2.gz FRXYYPBNJFCBOS-SZEHBUNVSA-N -1 0 356.329 -0.282 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)[C@H]1CCOC1 ZINC000957581094 661821970 /nfs/dbraw/zinc/82/19/70/661821970.db2.gz IJWPHWMGJBMZRN-JFGNBEQYSA-N -1 0 350.375 -0.901 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)c1cnsn1 ZINC000957581172 661821992 /nfs/dbraw/zinc/82/19/92/661821992.db2.gz NCTXANNLAXKBJX-GMSGAONNSA-N -1 0 364.387 -0.772 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)[C@@H]1CCCO1 ZINC000957581176 661822000 /nfs/dbraw/zinc/82/20/00/661822000.db2.gz NJVPFGSQUIILLH-JLLWLGSASA-N -1 0 350.375 -0.758 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)[C@H]1CCCO1 ZINC000957581177 661821973 /nfs/dbraw/zinc/82/19/73/661821973.db2.gz NJVPFGSQUIILLH-YUSALJHKSA-N -1 0 350.375 -0.758 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)c1cscn1 ZINC000957581281 661821983 /nfs/dbraw/zinc/82/19/83/661821983.db2.gz UODFWZLXZJIKIS-PSASIEDQSA-N -1 0 363.399 -0.167 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)c1cnns1 ZINC000957581287 661821941 /nfs/dbraw/zinc/82/19/41/661821941.db2.gz USKJFECJHBUZAI-VXNVDRBHSA-N -1 0 364.387 -0.772 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)c1cncs1 ZINC000957581324 661822003 /nfs/dbraw/zinc/82/20/03/661822003.db2.gz WVTKDCCLFGXJQX-PSASIEDQSA-N -1 0 363.399 -0.167 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)c1ccsn1 ZINC000957582249 661821986 /nfs/dbraw/zinc/82/19/86/661821986.db2.gz RZMIEUMWYWRSMJ-LDYMZIIASA-N -1 0 363.399 -0.167 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)c1csnn1 ZINC000957582359 661822011 /nfs/dbraw/zinc/82/20/11/661822011.db2.gz SVMJIKAQEFUVNK-VXNVDRBHSA-N -1 0 364.387 -0.772 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)c1ccns1 ZINC000957582429 661821964 /nfs/dbraw/zinc/82/19/64/661821964.db2.gz WTLUOZSNIIMCLP-PSASIEDQSA-N -1 0 363.399 -0.167 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@H]2C)c1[O-] ZINC000957614360 661823338 /nfs/dbraw/zinc/82/33/38/661823338.db2.gz IIAVBOZWYQBDHE-QNSHHTMESA-N -1 0 350.379 -0.976 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@H]2C)c1[O-] ZINC000957614361 661823405 /nfs/dbraw/zinc/82/34/05/661823405.db2.gz IIAVBOZWYQBDHE-SZEHBUNVSA-N -1 0 350.379 -0.976 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N[C@]1(C)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000957629866 661824118 /nfs/dbraw/zinc/82/41/18/661824118.db2.gz ONIWDZMEVABKRF-BPYAMOTFSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N[C@@]1(C)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000957629867 661824156 /nfs/dbraw/zinc/82/41/56/661824156.db2.gz ONIWDZMEVABKRF-VPJDZLOFSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N[C@@]1(C)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957629968 661824059 /nfs/dbraw/zinc/82/40/59/661824059.db2.gz RBKLMFKOKAQRPN-OWCSCZDJSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N[C@]1(C)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957629969 661824141 /nfs/dbraw/zinc/82/41/41/661824141.db2.gz RBKLMFKOKAQRPN-UYNUJQBQSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N[C@@]2(C)CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)O1 ZINC000957668447 661824462 /nfs/dbraw/zinc/82/44/62/661824462.db2.gz CIIANYGCWGXIAH-FCHSOHFDSA-N -1 0 353.379 -0.636 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N[C@]2(C)CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)O1 ZINC000957668448 661824322 /nfs/dbraw/zinc/82/43/22/661824322.db2.gz CIIANYGCWGXIAH-IQMDTDKHSA-N -1 0 353.379 -0.636 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N[C@]2(C)CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC000957668543 661824448 /nfs/dbraw/zinc/82/44/48/661824448.db2.gz FQEDKFJAZWQUHK-KEMUVXCRSA-N -1 0 351.363 -0.429 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N[C@@]2(C)CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC000957668544 661824450 /nfs/dbraw/zinc/82/44/50/661824450.db2.gz FQEDKFJAZWQUHK-XWRVAKJBSA-N -1 0 351.363 -0.429 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@H]1NC(=O)C(F)F ZINC000957764450 661825539 /nfs/dbraw/zinc/82/55/39/661825539.db2.gz XTILVAFYTPEWNB-VXNVDRBHSA-N -1 0 354.317 -0.701 20 0 FBADRM C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C(F)(F)F ZINC000957818143 661826164 /nfs/dbraw/zinc/82/61/64/661826164.db2.gz KREBEZIYEOAAAR-BWZBUEFSSA-N -1 0 365.312 -0.149 20 0 FBADRM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C(F)(F)F ZINC000957818144 661826148 /nfs/dbraw/zinc/82/61/48/661826148.db2.gz KREBEZIYEOAAAR-GJMOJQLCSA-N -1 0 365.312 -0.149 20 0 FBADRM C[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000957903616 661827027 /nfs/dbraw/zinc/82/70/27/661827027.db2.gz HWSUSAGTASYIRR-RNFRBKRXSA-N -1 0 368.375 -0.872 20 0 FBADRM C[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000957903978 661827068 /nfs/dbraw/zinc/82/70/68/661827068.db2.gz OAULXNORLWTOBT-PHDIDXHHSA-N -1 0 366.359 -0.665 20 0 FBADRM Cc1nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)cs1 ZINC000957991005 661827873 /nfs/dbraw/zinc/82/78/73/661827873.db2.gz IEROCJMVAJYUHI-VXNVDRBHSA-N -1 0 366.403 -0.269 20 0 FBADRM Cc1nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)cs1 ZINC000957993965 661827877 /nfs/dbraw/zinc/82/78/77/661827877.db2.gz GATWUIMDVLPVFQ-HTRCEHHLSA-N -1 0 364.387 -0.062 20 0 FBADRM C[C@@H]1CN(C(=O)c2nccs2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000958136913 661828547 /nfs/dbraw/zinc/82/85/47/661828547.db2.gz NFZWWFIUQTVNDG-HTQZYQBOSA-N -1 0 352.376 -0.577 20 0 FBADRM C[C@@H]1CN(C(=O)c2nccs2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000958137164 661828598 /nfs/dbraw/zinc/82/85/98/661828598.db2.gz WSAGRZGHPQJSBK-RNFRBKRXSA-N -1 0 350.360 -0.370 20 0 FBADRM C[C@@H]1CN(C(=O)c2nccs2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000958143231 661828522 /nfs/dbraw/zinc/82/85/22/661828522.db2.gz OCPZQLFRARUQFY-PSASIEDQSA-N -1 0 363.399 -0.167 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000958198087 661829311 /nfs/dbraw/zinc/82/93/11/661829311.db2.gz APNLCZNDXJOKQB-FCHSOHFDSA-N -1 0 353.379 -0.921 20 0 FBADRM C[C@@H]1CN(C(=O)[C@]2(C)CCOC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000958198088 661829260 /nfs/dbraw/zinc/82/92/60/661829260.db2.gz APNLCZNDXJOKQB-IQMDTDKHSA-N -1 0 353.379 -0.921 20 0 FBADRM C[C@@H]1CN(C(=O)[C@]2(C)CCOC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000958198994 661829353 /nfs/dbraw/zinc/82/93/53/661829353.db2.gz XXMMDMACEZJNRH-KEMUVXCRSA-N -1 0 351.363 -0.714 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000958199003 661829383 /nfs/dbraw/zinc/82/93/83/661829383.db2.gz XXMMDMACEZJNRH-XWRVAKJBSA-N -1 0 351.363 -0.714 20 0 FBADRM Cc1nocc1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000958354988 661831036 /nfs/dbraw/zinc/83/10/36/661831036.db2.gz FEEGVLJOLQCUQA-GMSGAONNSA-N -1 0 350.335 -0.737 20 0 FBADRM C[C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000958382162 661831452 /nfs/dbraw/zinc/83/14/52/661831452.db2.gz ICLNFYBQSXEBFX-RNFRBKRXSA-N -1 0 370.753 -0.392 20 0 FBADRM C[C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000958386494 661831445 /nfs/dbraw/zinc/83/14/45/661831445.db2.gz TZEMVXMZMMEMMY-PHDIDXHHSA-N -1 0 368.737 -0.185 20 0 FBADRM Cc1cnoc1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000958467289 661832444 /nfs/dbraw/zinc/83/24/44/661832444.db2.gz MCRCPIFBPAQDMV-RKDXNWHRSA-N -1 0 350.335 -0.737 20 0 FBADRM CO[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C(C)C ZINC000958546048 661832738 /nfs/dbraw/zinc/83/27/38/661832738.db2.gz GZAJLSAMKFIMRG-FXPVBKGRSA-N -1 0 353.379 -0.470 20 0 FBADRM CO[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C(C)C ZINC000958546049 661832808 /nfs/dbraw/zinc/83/28/08/661832808.db2.gz GZAJLSAMKFIMRG-KKZNHRDASA-N -1 0 353.379 -0.470 20 0 FBADRM CO[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C(C)C ZINC000958550117 661832777 /nfs/dbraw/zinc/83/27/77/661832777.db2.gz PBMBGALILIBPMG-CKYFFXLPSA-N -1 0 355.395 -0.677 20 0 FBADRM CO[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C(C)C ZINC000958550118 661832825 /nfs/dbraw/zinc/83/28/25/661832825.db2.gz PBMBGALILIBPMG-FOGDFJRCSA-N -1 0 355.395 -0.677 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000958614529 661833335 /nfs/dbraw/zinc/83/33/35/661833335.db2.gz AFQJTDNJIIAYIJ-IYSWYEEDSA-N -1 0 351.298 -0.965 20 0 FBADRM C[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000958628295 661833602 /nfs/dbraw/zinc/83/36/02/661833602.db2.gz JGJDNDNVCKHJFU-VXNVDRBHSA-N -1 0 368.781 -0.052 20 0 FBADRM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000958667078 661833772 /nfs/dbraw/zinc/83/37/72/661833772.db2.gz ISHRJWVNNOEALL-HTQZYQBOSA-N -1 0 361.349 -0.056 20 0 FBADRM C[C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000958733406 661834119 /nfs/dbraw/zinc/83/41/19/661834119.db2.gz IBQOUUMTCSAEPP-MWLCHTKSSA-N -1 0 352.366 -0.188 20 0 FBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CN(C(=O)[C@H]3OCC[C@H]3C)C[C@@H]2O)c1[O-] ZINC000958825177 661835045 /nfs/dbraw/zinc/83/50/45/661835045.db2.gz VYZMZERXXOMSSX-ORMVGFHCSA-N -1 0 352.391 -0.508 20 0 FBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@@H]2O)c1[O-] ZINC000958825183 661834944 /nfs/dbraw/zinc/83/49/44/661834944.db2.gz WGVWZSHQHZBFFS-YPIXOSSWSA-N -1 0 350.375 -0.896 20 0 FBADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CN(C(=O)[C@H]3CC[C@@H](C)O3)C[C@@H]2O)c1[O-] ZINC000958825252 661835000 /nfs/dbraw/zinc/83/50/00/661835000.db2.gz YGDOYXDPTBQTTM-NUGNTBJXSA-N -1 0 352.391 -0.365 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@]34C[C@H]3COC4)C2)c1[O-] ZINC000958864250 661836766 /nfs/dbraw/zinc/83/67/66/661836766.db2.gz ARZMAAGZHFKIOU-YPIXOSSWSA-N -1 0 350.375 -0.896 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3OCC[C@H]3C)C2)c1[O-] ZINC000958967203 661841346 /nfs/dbraw/zinc/84/13/46/661841346.db2.gz ZLYVXZCRVXSKOV-ORMVGFHCSA-N -1 0 352.391 -0.508 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3CC[C@@H](C)O3)C2)c1[O-] ZINC000958971752 661841447 /nfs/dbraw/zinc/84/14/47/661841447.db2.gz DPXDBYJUVZCNFQ-NUGNTBJXSA-N -1 0 352.391 -0.365 20 0 FBADRM Cc1conc1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000959631143 661842418 /nfs/dbraw/zinc/84/24/18/661842418.db2.gz UPHJTUKEAIKBHI-VXNVDRBHSA-N -1 0 350.335 -0.737 20 0 FBADRM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C(C)(F)F ZINC000959672914 661843387 /nfs/dbraw/zinc/84/33/87/661843387.db2.gz CZAJSIFHMCGXOI-HRDYMLBCSA-N -1 0 361.349 -0.056 20 0 FBADRM C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C(C)(F)F ZINC000959672928 661843482 /nfs/dbraw/zinc/84/34/82/661843482.db2.gz CZAJSIFHMCGXOI-IWSPIJDZSA-N -1 0 361.349 -0.056 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000959675952 661843700 /nfs/dbraw/zinc/84/37/00/661843700.db2.gz MIOKRCQGCSFXST-CDLYGTGVSA-N -1 0 351.363 -0.716 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000959678100 661843755 /nfs/dbraw/zinc/84/37/55/661843755.db2.gz BNMZPOPJKKGCMJ-BFLSOPEQSA-N -1 0 353.379 -0.923 20 0 FBADRM C[C@@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000959678642 661843704 /nfs/dbraw/zinc/84/37/04/661843704.db2.gz GJHOQMUBCDQGMN-RKDXNWHRSA-N -1 0 353.354 -0.001 20 0 FBADRM C[C@@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000959683402 661843709 /nfs/dbraw/zinc/84/37/09/661843709.db2.gz BIVVZTUCIAXQHW-NXEZZACHSA-N -1 0 355.370 -0.208 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC000959714545 661845698 /nfs/dbraw/zinc/84/56/98/661845698.db2.gz JQFRADFRUPLFQI-ZYUZMQFOSA-N -1 0 351.363 -0.573 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)O1 ZINC000959714975 661845704 /nfs/dbraw/zinc/84/57/04/661845704.db2.gz PBOTXBCJBHBNQV-GWOFURMSSA-N -1 0 353.379 -0.780 20 0 FBADRM CCC(=O)N1CCO[C@@H]2CN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC000959837243 661845923 /nfs/dbraw/zinc/84/59/23/661845923.db2.gz JSYUOXHOFNOJAA-WDEREUQCSA-N -1 0 351.363 -0.936 20 0 FBADRM CC(=O)N1CCO[C@@H]2CN(C(=O)Cc3cc(=O)n(CC(C)C)[n-]3)C[C@@H]21 ZINC000959853467 661846321 /nfs/dbraw/zinc/84/63/21/661846321.db2.gz KUAIUUVXMHBGGB-LSDHHAIUSA-N -1 0 350.419 -0.167 20 0 FBADRM CC(C)(F)C(=O)N1CCO[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC000959886698 661847260 /nfs/dbraw/zinc/84/72/60/661847260.db2.gz MKZHCXYEJQFCAF-JGVFFNPUSA-N -1 0 355.326 -0.917 20 0 FBADRM CCCC(=O)N1CCO[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@@H]21 ZINC000959927297 661849081 /nfs/dbraw/zinc/84/90/81/661849081.db2.gz XIEHCVCXFDUARQ-NWDGAFQWSA-N -1 0 350.375 -0.662 20 0 FBADRM CC(C)CC(=O)N1CCO[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC000959937505 661849262 /nfs/dbraw/zinc/84/92/62/661849262.db2.gz NIXLYFRYJMLSSB-WDEREUQCSA-N -1 0 353.379 -0.826 20 0 FBADRM CC(C)CC(=O)N1CCO[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC000959941194 661849333 /nfs/dbraw/zinc/84/93/33/661849333.db2.gz UCQILNJIJRATCI-VHSXEESVSA-N -1 0 351.363 -0.619 20 0 FBADRM CC(C)=CC(=O)N1CCO[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC000959962934 661849651 /nfs/dbraw/zinc/84/96/51/661849651.db2.gz IEGKTRXKEFUJSP-WDEREUQCSA-N -1 0 351.363 -0.906 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H]3OCCN(C(=O)[C@H]4CCCO4)[C@H]3C2)c1[O-] ZINC000959983620 661850546 /nfs/dbraw/zinc/85/05/46/661850546.db2.gz LXPOHGQDVXVNLN-QJPTWQEYSA-N -1 0 350.375 -0.345 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H]3OCCN(C(=O)[C@@H]4CCCO4)[C@H]3C2)c1[O-] ZINC000959983623 661850597 /nfs/dbraw/zinc/85/05/97/661850597.db2.gz LXPOHGQDVXVNLN-SDDRHHMPSA-N -1 0 350.375 -0.345 20 0 FBADRM CC(C)C(=O)N1CCO[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@@H]21 ZINC000960043950 661852873 /nfs/dbraw/zinc/85/28/73/661852873.db2.gz YXBVVPZXMGCBRK-NWDGAFQWSA-N -1 0 350.375 -0.806 20 0 FBADRM CC[C@@H](C)C(=O)N1CCO[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC000960046473 661853121 /nfs/dbraw/zinc/85/31/21/661853121.db2.gz YGINSNYANOTRBV-KXUCPTDWSA-N -1 0 351.363 -0.619 20 0 FBADRM CC[C@H](C)C(=O)N1CCO[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC000960046474 661853135 /nfs/dbraw/zinc/85/31/35/661853135.db2.gz YGINSNYANOTRBV-LPEHRKFASA-N -1 0 351.363 -0.619 20 0 FBADRM CC[C@H](C)C(=O)N1CCO[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC000960050216 661853141 /nfs/dbraw/zinc/85/31/41/661853141.db2.gz PKBHRZUVGLEDQM-GARJFASQSA-N -1 0 353.379 -0.826 20 0 FBADRM CC[C@@H](C)C(=O)N1CCO[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC000960050228 661853189 /nfs/dbraw/zinc/85/31/89/661853189.db2.gz PKBHRZUVGLEDQM-OUAUKWLOSA-N -1 0 353.379 -0.826 20 0 FBADRM CS[C@H](C)C(=O)N1CCO[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC000960054631 661853130 /nfs/dbraw/zinc/85/31/30/661853130.db2.gz HBIWZVSTHPMCEV-HRDYMLBCSA-N -1 0 369.403 -0.914 20 0 FBADRM CS[C@@H](C)C(=O)N1CCO[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC000960054635 661853103 /nfs/dbraw/zinc/85/31/03/661853103.db2.gz HBIWZVSTHPMCEV-XHNCKOQMSA-N -1 0 369.403 -0.914 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H]3OCCN(C(=O)c4cnsn4)[C@H]3C2)c1[O-] ZINC000960076078 661854436 /nfs/dbraw/zinc/85/44/36/661854436.db2.gz ADJHKLFMLMRBNI-VHSXEESVSA-N -1 0 364.387 -0.359 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H]3OCCN(C(=O)c4cnns4)[C@H]3C2)c1[O-] ZINC000960078933 661855201 /nfs/dbraw/zinc/85/52/01/661855201.db2.gz HIZIKFSPJMWACW-DTWKUNHWSA-N -1 0 364.387 -0.359 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H]3OCCN(C(=O)[C@@H]4CCOC4)[C@H]3C2)c1[O-] ZINC000960110627 661858482 /nfs/dbraw/zinc/85/84/82/661858482.db2.gz LMPALAQFEDHUCL-GRYCIOLGSA-N -1 0 350.375 -0.488 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H]3OCCN(C(=O)[C@H]4CCOC4)[C@H]3C2)c1[O-] ZINC000960110629 661858491 /nfs/dbraw/zinc/85/84/91/661858491.db2.gz LMPALAQFEDHUCL-SDDRHHMPSA-N -1 0 350.375 -0.488 20 0 FBADRM CC[C@@H](OC)C(=O)N1CCO[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]21 ZINC000960111636 661858538 /nfs/dbraw/zinc/85/85/38/661858538.db2.gz MWMCOQUPIPCJAW-QJPTWQEYSA-N -1 0 352.391 -0.099 20 0 FBADRM CC[C@H](OC)C(=O)N1CCO[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]21 ZINC000960111639 661858459 /nfs/dbraw/zinc/85/84/59/661858459.db2.gz MWMCOQUPIPCJAW-SDDRHHMPSA-N -1 0 352.391 -0.099 20 0 FBADRM C/C=C(/C)C(=O)N1CCO[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC000960203019 661863422 /nfs/dbraw/zinc/86/34/22/661863422.db2.gz GQDLOFDLCKAFCQ-CHFYJCTLSA-N -1 0 351.363 -0.906 20 0 FBADRM C/C=C(\C)C(=O)N1CCO[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC000960203026 661863430 /nfs/dbraw/zinc/86/34/30/661863430.db2.gz GQDLOFDLCKAFCQ-WSAUGYEQSA-N -1 0 351.363 -0.906 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCO[C@@H]3CN(C(=O)CC(C)(C)O)C[C@@H]32)c1[O-] ZINC000960245109 661864073 /nfs/dbraw/zinc/86/40/73/661864073.db2.gz DOBKSSHPKJFKFQ-WDEREUQCSA-N -1 0 352.391 -0.363 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCO[C@@H]3CN(C(=O)c4cnsn4)C[C@@H]32)c1[O-] ZINC000960245629 661864089 /nfs/dbraw/zinc/86/40/89/661864089.db2.gz HQVKMHCRPVIHPR-VHSXEESVSA-N -1 0 364.387 -0.359 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCO[C@@H]3CN(C(=O)c4csnn4)C[C@@H]32)c1[O-] ZINC000960245728 661864176 /nfs/dbraw/zinc/86/41/76/661864176.db2.gz JTWHYKCNKDHSNF-VHSXEESVSA-N -1 0 364.387 -0.359 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCO[C@@H]3CN(C(=O)c4cnns4)C[C@@H]32)c1[O-] ZINC000960245743 661864019 /nfs/dbraw/zinc/86/40/19/661864019.db2.gz KCCZIIUKPRULHU-DTWKUNHWSA-N -1 0 364.387 -0.359 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H](O)C(C)C)C[C@@H]32)c1[O-] ZINC000960247107 661864022 /nfs/dbraw/zinc/86/40/22/661864022.db2.gz QQYGZDUWKAKGTD-DMDPSCGWSA-N -1 0 352.391 -0.508 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H]4CCCO4)C[C@@H]32)c1[O-] ZINC000960247818 661864328 /nfs/dbraw/zinc/86/43/28/661864328.db2.gz UBRCXHBKKMTKFI-QJPTWQEYSA-N -1 0 350.375 -0.345 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@@H]4CCCO4)C[C@@H]32)c1[O-] ZINC000960247820 661864335 /nfs/dbraw/zinc/86/43/35/661864335.db2.gz UBRCXHBKKMTKFI-SDDRHHMPSA-N -1 0 350.375 -0.345 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@@H]4CCOC4)C[C@@H]32)c1[O-] ZINC000960248274 661864367 /nfs/dbraw/zinc/86/43/67/661864367.db2.gz XAGNDJAEBBOUIV-GRYCIOLGSA-N -1 0 350.375 -0.488 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H]4CCOC4)C[C@@H]32)c1[O-] ZINC000960248275 661864326 /nfs/dbraw/zinc/86/43/26/661864326.db2.gz XAGNDJAEBBOUIV-SDDRHHMPSA-N -1 0 350.375 -0.488 20 0 FBADRM CC[C@@H](OC)C(=O)N1C[C@H]2OCCN(C(=O)c3n[nH]c(C)c3[O-])[C@H]2C1 ZINC000960248329 661864309 /nfs/dbraw/zinc/86/43/09/661864309.db2.gz XXNVKQGRSFETTD-QJPTWQEYSA-N -1 0 352.391 -0.099 20 0 FBADRM CC[C@H](OC)C(=O)N1C[C@H]2OCCN(C(=O)c3n[nH]c(C)c3[O-])[C@H]2C1 ZINC000960248332 661864354 /nfs/dbraw/zinc/86/43/54/661864354.db2.gz XXNVKQGRSFETTD-SDDRHHMPSA-N -1 0 352.391 -0.099 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H]3OCCN(C(=O)CC(C)(C)O)[C@H]3C2)c1[O-] ZINC000960307674 661866548 /nfs/dbraw/zinc/86/65/48/661866548.db2.gz UOTDYZOGDDSIQX-WDEREUQCSA-N -1 0 352.391 -0.363 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H]3OCCN(C(=O)[C@H](O)C(C)C)[C@H]3C2)c1[O-] ZINC000960325957 661867467 /nfs/dbraw/zinc/86/74/67/661867467.db2.gz JBLYCBGIPDTTKV-DMDPSCGWSA-N -1 0 352.391 -0.508 20 0 FBADRM CC(=O)N1C[C@H]2OCCN(C(=O)Cc3cc(=O)n(CC(C)C)[n-]3)[C@H]2C1 ZINC000960593975 661878841 /nfs/dbraw/zinc/87/88/41/661878841.db2.gz OXJCADSNZUPUIW-LSDHHAIUSA-N -1 0 350.419 -0.167 20 0 FBADRM CCC(=O)N1C[C@H]2OCCN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC000960606062 661879747 /nfs/dbraw/zinc/87/97/47/661879747.db2.gz UGWZDIOICMAAHK-WDEREUQCSA-N -1 0 351.363 -0.936 20 0 FBADRM C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@H]2CN(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000960648883 661881588 /nfs/dbraw/zinc/88/15/88/661881588.db2.gz VBRURLMHTVCPEV-GRYCIOLGSA-N -1 0 350.423 -0.152 20 0 FBADRM C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@@H]2CN(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000960648886 661881643 /nfs/dbraw/zinc/88/16/43/661881643.db2.gz VBRURLMHTVCPEV-IJLUTSLNSA-N -1 0 350.423 -0.152 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H]3OCCN(C(=O)c4csnn4)[C@H]3C2)c1[O-] ZINC000960671160 661882833 /nfs/dbraw/zinc/88/28/33/661882833.db2.gz JNPUAFFLOOMHNR-VHSXEESVSA-N -1 0 364.387 -0.359 20 0 FBADRM CC[C@@H](C)C(=O)N1C[C@H]2OCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC000960675375 661883266 /nfs/dbraw/zinc/88/32/66/661883266.db2.gz BVKSSBQNUOOVQB-KXUCPTDWSA-N -1 0 351.363 -0.619 20 0 FBADRM CC[C@H](C)C(=O)N1C[C@H]2OCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC000960675376 661883215 /nfs/dbraw/zinc/88/32/15/661883215.db2.gz BVKSSBQNUOOVQB-LPEHRKFASA-N -1 0 351.363 -0.619 20 0 FBADRM CC(C)(F)C(=O)N1C[C@H]2OCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC000960675976 661883203 /nfs/dbraw/zinc/88/32/03/661883203.db2.gz ILUIXYJFXBXXMY-JGVFFNPUSA-N -1 0 355.326 -0.917 20 0 FBADRM CC[C@@H](F)C(=O)N1C[C@H]2OCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC000960677373 661883293 /nfs/dbraw/zinc/88/32/93/661883293.db2.gz SPEUJXOYYDPBFW-HRDYMLBCSA-N -1 0 355.326 -0.917 20 0 FBADRM CC[C@H](F)C(=O)N1C[C@H]2OCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC000960677374 661883352 /nfs/dbraw/zinc/88/33/52/661883352.db2.gz SPEUJXOYYDPBFW-XHNCKOQMSA-N -1 0 355.326 -0.917 20 0 FBADRM CS[C@H](C)C(=O)N1C[C@H]2OCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC000960677396 661883264 /nfs/dbraw/zinc/88/32/64/661883264.db2.gz SZTKBOVDNQFBNY-HRDYMLBCSA-N -1 0 369.403 -0.914 20 0 FBADRM CS[C@@H](C)C(=O)N1C[C@H]2OCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC000960677398 661883178 /nfs/dbraw/zinc/88/31/78/661883178.db2.gz SZTKBOVDNQFBNY-XHNCKOQMSA-N -1 0 369.403 -0.914 20 0 FBADRM CC(C)CC(=O)N1C[C@H]2OCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC000960677415 661883273 /nfs/dbraw/zinc/88/32/73/661883273.db2.gz UKRWMQIVIDZOEW-VHSXEESVSA-N -1 0 351.363 -0.619 20 0 FBADRM CC(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC000960682305 661883502 /nfs/dbraw/zinc/88/35/02/661883502.db2.gz NLFAYARKMASHBN-DTWKUNHWSA-N -1 0 351.363 -0.619 20 0 FBADRM CC(C)=CC(=O)N1C[C@H]2OCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000960710357 661884106 /nfs/dbraw/zinc/88/41/06/661884106.db2.gz MYZTXDSQOFHCAH-WDEREUQCSA-N -1 0 351.363 -0.906 20 0 FBADRM CC[C@H](C)C(=O)N1C[C@H]2OCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000960711068 661884023 /nfs/dbraw/zinc/88/40/23/661884023.db2.gz OFENWZDRHCMPDI-GARJFASQSA-N -1 0 353.379 -0.826 20 0 FBADRM CC[C@@H](C)C(=O)N1C[C@H]2OCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000960711070 661883924 /nfs/dbraw/zinc/88/39/24/661883924.db2.gz OFENWZDRHCMPDI-OUAUKWLOSA-N -1 0 353.379 -0.826 20 0 FBADRM C/C=C(/C)C(=O)N1C[C@H]2OCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000960711113 661883933 /nfs/dbraw/zinc/88/39/33/661883933.db2.gz QCFSWVKTRVGZJF-CHFYJCTLSA-N -1 0 351.363 -0.906 20 0 FBADRM C/C=C(\C)C(=O)N1C[C@H]2OCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000960711115 661884080 /nfs/dbraw/zinc/88/40/80/661884080.db2.gz QCFSWVKTRVGZJF-WSAUGYEQSA-N -1 0 351.363 -0.906 20 0 FBADRM CC(C)(C)C(=O)N1C[C@H]2OCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000960711138 661883913 /nfs/dbraw/zinc/88/39/13/661883913.db2.gz QPXZLPZZQHSVGN-VHSXEESVSA-N -1 0 353.379 -0.826 20 0 FBADRM CC(C)CC(=O)N1C[C@H]2OCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000960712336 661883889 /nfs/dbraw/zinc/88/38/89/661883889.db2.gz XMRDARXQTZWQRX-WDEREUQCSA-N -1 0 353.379 -0.826 20 0 FBADRM C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H]2CN(C)Cc2n[nH]c(=O)[n-]2)O1 ZINC000960716560 661884120 /nfs/dbraw/zinc/88/41/20/661884120.db2.gz JHLKLYNWLQPMJJ-FRRDWIJNSA-N -1 0 352.439 -0.348 20 0 FBADRM C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H]2CN(C)Cc2n[nH]c(=O)[n-]2)O1 ZINC000960716585 661883942 /nfs/dbraw/zinc/88/39/42/661883942.db2.gz JHLKLYNWLQPMJJ-JHJVBQTASA-N -1 0 352.439 -0.348 20 0 FBADRM CCCC(=O)N1C[C@H]2OCCN(C(=O)c3cnc([O-])n(C)c3=O)[C@H]2C1 ZINC000960721335 661884444 /nfs/dbraw/zinc/88/44/44/661884444.db2.gz MZVHINORDKZXIY-NWDGAFQWSA-N -1 0 350.375 -0.662 20 0 FBADRM CC(C)C(=O)N1C[C@H]2OCCN(C(=O)c3cnc([O-])n(C)c3=O)[C@H]2C1 ZINC000960722886 661884294 /nfs/dbraw/zinc/88/42/94/661884294.db2.gz YQGNQWGZHLBYNV-NWDGAFQWSA-N -1 0 350.375 -0.806 20 0 FBADRM CC[C@@H](F)C(=O)N1CCO[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC000960773058 661885887 /nfs/dbraw/zinc/88/58/87/661885887.db2.gz KKSLESHCRNXCQT-HRDYMLBCSA-N -1 0 355.326 -0.917 20 0 FBADRM CC[C@H](F)C(=O)N1CCO[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC000960773059 661886023 /nfs/dbraw/zinc/88/60/23/661886023.db2.gz KKSLESHCRNXCQT-XHNCKOQMSA-N -1 0 355.326 -0.917 20 0 FBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC000960871427 661890158 /nfs/dbraw/zinc/89/01/58/661890158.db2.gz WYWIPGBIBSVVFT-TUAOUCFPSA-N -1 0 350.423 -0.343 20 0 FBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC000960871428 661890233 /nfs/dbraw/zinc/89/02/33/661890233.db2.gz WYWIPGBIBSVVFT-UTUOFQBUSA-N -1 0 350.423 -0.343 20 0 FBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC000960877536 661890641 /nfs/dbraw/zinc/89/06/41/661890641.db2.gz RUZKMMYUVFNFLI-GRYCIOLGSA-N -1 0 350.423 -0.165 20 0 FBADRM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC000960877539 661890790 /nfs/dbraw/zinc/89/07/90/661890790.db2.gz RUZKMMYUVFNFLI-WOPDTQHZSA-N -1 0 350.423 -0.165 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2n[n-]c3ccccc3c2=O)C[C@@H]1O)C(F)F ZINC000961075733 661895485 /nfs/dbraw/zinc/89/54/85/661895485.db2.gz HZLZWGKNSVBISS-ZJUUUORDSA-N -1 0 352.297 -0.098 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2C[C@@H](NC(=O)C(F)F)[C@@H](O)C2)cc1=O ZINC000961090625 661896596 /nfs/dbraw/zinc/89/65/96/661896596.db2.gz JIALGEHOODYVBS-MNOVXSKESA-N -1 0 360.361 -0.672 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2C[C@@H](NC(=O)C3CC3)[C@@H](O)C2)cc1=O ZINC000961104107 661896987 /nfs/dbraw/zinc/89/69/87/661896987.db2.gz YCAOESNESLDCSL-KGLIPLIRSA-N -1 0 350.419 -0.527 20 0 FBADRM CC(C)(F)C(=O)N[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@@H]1O ZINC000961143975 661898382 /nfs/dbraw/zinc/89/83/82/661898382.db2.gz HXMCTQHEYOIDTK-BDAKNGLRSA-N -1 0 352.322 -0.022 20 0 FBADRM CC(C)(F)C(=O)N[C@@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)C[C@@H]1O ZINC000961158862 661899097 /nfs/dbraw/zinc/89/90/97/661899097.db2.gz DBABWZKQQFKSQX-ZJUUUORDSA-N -1 0 351.338 -0.928 20 0 FBADRM CC(F)(F)C(=O)N[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@@H]1O ZINC000961171955 661900136 /nfs/dbraw/zinc/90/01/36/661900136.db2.gz WSIVIODVLZAKFS-SFYZADRCSA-N -1 0 356.285 -0.115 20 0 FBADRM Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2O)s1 ZINC000961246376 661901605 /nfs/dbraw/zinc/90/16/05/661901605.db2.gz MVRQMDVPVCQNFD-SFYZADRCSA-N -1 0 365.371 -0.732 20 0 FBADRM Cc1ccc(C(=O)N[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2O)s1 ZINC000961247511 661901764 /nfs/dbraw/zinc/90/17/64/661901764.db2.gz SBTUYVPHPKMBLI-BDAKNGLRSA-N -1 0 367.387 -0.939 20 0 FBADRM Cc1ccsc1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O ZINC000961251615 661901751 /nfs/dbraw/zinc/90/17/51/661901751.db2.gz OGAWRKOQPWSIDD-SFYZADRCSA-N -1 0 365.371 -0.732 20 0 FBADRM Cc1ccsc1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1O ZINC000961253772 661901927 /nfs/dbraw/zinc/90/19/27/661901927.db2.gz XSJQJOZCRBIMBR-BDAKNGLRSA-N -1 0 367.387 -0.939 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O)C1CCCCC1 ZINC000961276282 661902068 /nfs/dbraw/zinc/90/20/68/661902068.db2.gz FYBYBAXZXXFVMZ-ZJUUUORDSA-N -1 0 351.363 -0.835 20 0 FBADRM O=C(CC1CCCC1)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O ZINC000961298568 661902344 /nfs/dbraw/zinc/90/23/44/661902344.db2.gz VJVOCNDEUPDFMT-ZJUUUORDSA-N -1 0 351.363 -0.835 20 0 FBADRM Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O ZINC000961487855 661908415 /nfs/dbraw/zinc/90/84/15/661908415.db2.gz SDEGMUJAJNRTLR-SFYZADRCSA-N -1 0 352.376 -0.801 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O)c1ccc(Cl)o1 ZINC000961574312 661911015 /nfs/dbraw/zinc/91/10/15/661911015.db2.gz PWEMWCDMGQZIEM-RITPCOANSA-N -1 0 369.721 -0.856 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2C[C@@H](NC(=O)C(C)C)[C@@H](O)C2)cc1=O ZINC000961615294 661911684 /nfs/dbraw/zinc/91/16/84/661911684.db2.gz APFZWXXTYSHUAN-KGLIPLIRSA-N -1 0 352.435 -0.281 20 0 FBADRM Cc1ncsc1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O ZINC000961698658 661914079 /nfs/dbraw/zinc/91/40/79/661914079.db2.gz KOXBFAAIBCUVCA-BDAKNGLRSA-N -1 0 351.388 -0.196 20 0 FBADRM Cc1ncc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]2O)s1 ZINC000961818052 661921792 /nfs/dbraw/zinc/92/17/92/661921792.db2.gz MEJBZJVUQYZAKL-BDAKNGLRSA-N -1 0 351.388 -0.196 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)CC3CCOCC3)[C@@H](O)C2)c1[O-] ZINC000961975370 661931265 /nfs/dbraw/zinc/93/12/65/661931265.db2.gz YKBBMYBCVXOLBY-NEPJUHHUSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1cscc1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1O ZINC000962122813 661937457 /nfs/dbraw/zinc/93/74/57/661937457.db2.gz CTOYACKBSGCAOU-ZJUUUORDSA-N -1 0 367.387 -0.939 20 0 FBADRM Cc1cscc1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O ZINC000962125614 661937728 /nfs/dbraw/zinc/93/77/28/661937728.db2.gz QLVBORLSAHWWPZ-BDAKNGLRSA-N -1 0 365.371 -0.732 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C[C@@H]3CCCCO3)[C@@H](O)C2)c1[O-] ZINC000962183077 661938736 /nfs/dbraw/zinc/93/87/36/661938736.db2.gz COSJULQUFNAVHD-TUAOUCFPSA-N -1 0 352.391 -0.316 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C[C@H]3CCCCO3)[C@@H](O)C2)c1[O-] ZINC000962183078 661938707 /nfs/dbraw/zinc/93/87/07/661938707.db2.gz COSJULQUFNAVHD-UTUOFQBUSA-N -1 0 352.391 -0.316 20 0 FBADRM CCOC1CC(C(=O)N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)C1 ZINC000962301701 661942818 /nfs/dbraw/zinc/94/28/18/661942818.db2.gz BHENPXDOUIDNLJ-HCWSGVFWSA-N -1 0 352.391 -0.460 20 0 FBADRM Cc1nnsc1C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC000962302198 661942888 /nfs/dbraw/zinc/94/28/88/661942888.db2.gz FXJXTZMGLWVGFT-SFYZADRCSA-N -1 0 352.376 -0.801 20 0 FBADRM Cc1ncc(C(=O)N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)s1 ZINC000962302215 661942846 /nfs/dbraw/zinc/94/28/46/661942846.db2.gz GEJKWERIRNPQQI-BDAKNGLRSA-N -1 0 351.388 -0.196 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCOCC3)C[C@@H]2O)c1[O-] ZINC000962302662 661943122 /nfs/dbraw/zinc/94/31/22/661943122.db2.gz HKYLJBHANXGEIB-TUAOUCFPSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCOCC3)C[C@@H]2O)c1[O-] ZINC000962302664 661943050 /nfs/dbraw/zinc/94/30/50/661943050.db2.gz HKYLJBHANXGEIB-UTUOFQBUSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C[C@](C)(O)C3CC3)C[C@@H]2O)c1[O-] ZINC000962302839 661943072 /nfs/dbraw/zinc/94/30/72/661943072.db2.gz JTWKGNUKQYNVOJ-GDLVEWKHSA-N -1 0 352.391 -0.724 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C[C@@](C)(O)C3CC3)C[C@@H]2O)c1[O-] ZINC000962302844 661943075 /nfs/dbraw/zinc/94/30/75/661943075.db2.gz JTWKGNUKQYNVOJ-OHUAYANFSA-N -1 0 352.391 -0.724 20 0 FBADRM Cc1cc(C(=O)N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)ns1 ZINC000962303194 661943125 /nfs/dbraw/zinc/94/31/25/661943125.db2.gz LDBDPVRKNRAYTI-ZJUUUORDSA-N -1 0 351.388 -0.196 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3CCC(O)CC3)C[C@@H]2O)c1[O-] ZINC000962303292 661943069 /nfs/dbraw/zinc/94/30/69/661943069.db2.gz MRIQRBFLPPDMRQ-HCWSGVFWSA-N -1 0 352.391 -0.724 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC[C@H]3CCOC3)C[C@@H]2O)c1[O-] ZINC000962303322 661943095 /nfs/dbraw/zinc/94/30/95/661943095.db2.gz NIUMICQJFDYDGQ-TUAOUCFPSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC[C@@H]3CCOC3)C[C@@H]2O)c1[O-] ZINC000962303323 661943021 /nfs/dbraw/zinc/94/30/21/661943021.db2.gz NIUMICQJFDYDGQ-UTUOFQBUSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1ncsc1C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC000962303675 661943133 /nfs/dbraw/zinc/94/31/33/661943133.db2.gz OTVDJISMWKHBFP-BDAKNGLRSA-N -1 0 351.388 -0.196 20 0 FBADRM COc1cc(C(=O)N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)on1 ZINC000962303687 661943025 /nfs/dbraw/zinc/94/30/25/661943025.db2.gz OWZHGJZEFMUCDD-SFYZADRCSA-N -1 0 351.319 -0.964 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3=C(C)OCCC3)C[C@@H]2O)c1[O-] ZINC000962303706 661943078 /nfs/dbraw/zinc/94/30/78/661943078.db2.gz PEWGHGVCOCEVMR-NEPJUHHUSA-N -1 0 350.375 -0.190 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cc(Cl)n(C)n3)C[C@@H]2O)c1[O-] ZINC000962304348 661943084 /nfs/dbraw/zinc/94/30/84/661943084.db2.gz UJQLMAZWKFDPOK-BDAKNGLRSA-N -1 0 368.781 -0.574 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3csnc3C)C[C@@H]2O)c1[O-] ZINC000962304404 661943060 /nfs/dbraw/zinc/94/30/60/661943060.db2.gz VFEYOQMJJKAJLK-ZJUUUORDSA-N -1 0 351.388 -0.196 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)COC3CCCC3)C[C@@H]2O)c1[O-] ZINC000962304725 661943046 /nfs/dbraw/zinc/94/30/46/661943046.db2.gz VVWJDUYLDMHVEE-NEPJUHHUSA-N -1 0 352.391 -0.316 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC[C@@H]3CCCO3)C[C@@H]2O)c1[O-] ZINC000962304809 661943137 /nfs/dbraw/zinc/94/31/37/661943137.db2.gz XYMSMTKGVRVKHD-TUAOUCFPSA-N -1 0 352.391 -0.316 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC[C@H]3CCCO3)C[C@@H]2O)c1[O-] ZINC000962304810 661943150 /nfs/dbraw/zinc/94/31/50/661943150.db2.gz XYMSMTKGVRVKHD-UTUOFQBUSA-N -1 0 352.391 -0.316 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC3CCOCC3)C[C@@H]2O)c1[O-] ZINC000962304816 661943054 /nfs/dbraw/zinc/94/30/54/661943054.db2.gz YHLHTKKMXXPHTM-NEPJUHHUSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CCCCO3)C[C@@H]2O)c1[O-] ZINC000962304857 661943037 /nfs/dbraw/zinc/94/30/37/661943037.db2.gz YTPQIXCUUAMQIV-TUAOUCFPSA-N -1 0 352.391 -0.316 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CCCCO3)C[C@@H]2O)c1[O-] ZINC000962304859 661943056 /nfs/dbraw/zinc/94/30/56/661943056.db2.gz YTPQIXCUUAMQIV-UTUOFQBUSA-N -1 0 352.391 -0.316 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3(C)CCOCC3)C[C@@H]2O)c1[O-] ZINC000962304915 661943288 /nfs/dbraw/zinc/94/32/88/661943288.db2.gz ZKQDGQAEUUDZBB-MNOVXSKESA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3nn(C)cc3Cl)C[C@@H]2O)c1[O-] ZINC000962306252 661943248 /nfs/dbraw/zinc/94/32/48/661943248.db2.gz BDVFYBCHYPXZRH-BDAKNGLRSA-N -1 0 368.781 -0.574 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC000962306270 661943223 /nfs/dbraw/zinc/94/32/23/661943223.db2.gz BMPAHHDSBPQEKP-WYUUTHIRSA-N -1 0 352.391 -0.460 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cc(Cl)no3)C[C@@H]2O)c1[O-] ZINC000962306337 661943296 /nfs/dbraw/zinc/94/32/96/661943296.db2.gz BSNGZNQJSIYOPY-RQJHMYQMSA-N -1 0 355.738 -0.320 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CCc3nccs3)C[C@@H]2O)c1[O-] ZINC000962307163 661943241 /nfs/dbraw/zinc/94/32/41/661943241.db2.gz GBROGTJFYUSHPW-ZJUUUORDSA-N -1 0 365.415 -0.185 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CCCOC3)C[C@@H]2O)c1[O-] ZINC000962307226 661943225 /nfs/dbraw/zinc/94/32/25/661943225.db2.gz GOIGIEKRKYMYGW-TUAOUCFPSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CCCOC3)C[C@@H]2O)c1[O-] ZINC000962307230 661943314 /nfs/dbraw/zinc/94/33/14/661943314.db2.gz GOIGIEKRKYMYGW-UTUOFQBUSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cc3cncs3)C[C@@H]2O)c1[O-] ZINC000962307305 661943302 /nfs/dbraw/zinc/94/33/02/661943302.db2.gz HJVFZXUDJTVLFW-ZJUUUORDSA-N -1 0 351.388 -0.576 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@@H]2O)c1[O-] ZINC000962307606 661943246 /nfs/dbraw/zinc/94/32/46/661943246.db2.gz IUCMCNCEGHBZNW-JCIQBVFBSA-N -1 0 350.375 -0.707 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cn(C)nc3Cl)C[C@@H]2O)c1[O-] ZINC000962307672 661943229 /nfs/dbraw/zinc/94/32/29/661943229.db2.gz LDRYQKPESDGDCK-BDAKNGLRSA-N -1 0 368.781 -0.574 20 0 FBADRM COc1ccc(C(=O)N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)o1 ZINC000962307687 661943327 /nfs/dbraw/zinc/94/33/27/661943327.db2.gz LTALTYITJFQPRJ-BDAKNGLRSA-N -1 0 350.331 -0.359 20 0 FBADRM Cc1nc(CC(=O)N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)cs1 ZINC000962307698 661943253 /nfs/dbraw/zinc/94/32/53/661943253.db2.gz MBLOVEHJUNFJOA-MNOVXSKESA-N -1 0 365.415 -0.267 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC3=CCOCC3)C[C@@H]2O)c1[O-] ZINC000962308257 661943236 /nfs/dbraw/zinc/94/32/36/661943236.db2.gz NCNVBEUGGRSFCD-NEPJUHHUSA-N -1 0 350.375 -0.538 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CCc3cncs3)C[C@@H]2O)c1[O-] ZINC000962308263 661943283 /nfs/dbraw/zinc/94/32/83/661943283.db2.gz NFCUZDJGEKZUKN-MNOVXSKESA-N -1 0 365.415 -0.185 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3c(C)[nH]nc3Cl)C[C@@H]2O)c1[O-] ZINC000962308335 661943263 /nfs/dbraw/zinc/94/32/63/661943263.db2.gz PIAKLEQAYUGKBF-SFYZADRCSA-N -1 0 368.781 -0.276 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cn3cc(Cl)cn3)C[C@@H]2O)c1[O-] ZINC000962308380 661943284 /nfs/dbraw/zinc/94/32/84/661943284.db2.gz RAWHPTDOUUTGLY-ZJUUUORDSA-N -1 0 368.781 -0.725 20 0 FBADRM CCc1nnsc1C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC000962308633 661943304 /nfs/dbraw/zinc/94/33/04/661943304.db2.gz SJNCVGHXYACBCH-BDAKNGLRSA-N -1 0 366.403 -0.547 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3c(Cl)cnn3C)C[C@@H]2O)c1[O-] ZINC000962308851 661943281 /nfs/dbraw/zinc/94/32/81/661943281.db2.gz TWWPAGGVIUWTGP-BDAKNGLRSA-N -1 0 368.781 -0.574 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@]3(C)CCCOC3)C[C@@H]2O)c1[O-] ZINC000962308880 661943266 /nfs/dbraw/zinc/94/32/66/661943266.db2.gz UFCPSHREAYBYON-GDLVEWKHSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@]3(C)CCCOC3)C[C@@H]2O)c1[O-] ZINC000962308882 661943254 /nfs/dbraw/zinc/94/32/54/661943254.db2.gz UFCPSHREAYBYON-OHUAYANFSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cnc(Cl)n3C)C[C@@H]2O)c1[O-] ZINC000962308918 661943227 /nfs/dbraw/zinc/94/32/27/661943227.db2.gz VAUSUBHTMRWLTI-APPZFPTMSA-N -1 0 368.781 -0.574 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cc3cscn3)C[C@@H]2O)c1[O-] ZINC000962308996 661943613 /nfs/dbraw/zinc/94/36/13/661943613.db2.gz WOZJOBZQALYSIH-ZJUUUORDSA-N -1 0 351.388 -0.576 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)COc3ccsc3)C[C@@H]2O)c1[O-] ZINC000962309266 661943629 /nfs/dbraw/zinc/94/36/29/661943629.db2.gz XWWOTIINQAMPBY-MNOVXSKESA-N -1 0 366.399 -0.134 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C(F)(F)F)C[C@@H]2O)c1[O-] ZINC000962318539 661944305 /nfs/dbraw/zinc/94/43/05/661944305.db2.gz KBSZQTJRDWBVMC-ARDNSNSESA-N -1 0 350.297 -0.076 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C(F)(F)F)C[C@@H]2O)c1[O-] ZINC000962318547 661944286 /nfs/dbraw/zinc/94/42/86/661944286.db2.gz KBSZQTJRDWBVMC-NJUXHZRNSA-N -1 0 350.297 -0.076 20 0 FBADRM Cc1nc(C(=O)N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)cs1 ZINC000962319166 661944272 /nfs/dbraw/zinc/94/42/72/661944272.db2.gz QNFLSFYAJTVJCF-SCZZXKLOSA-N -1 0 351.388 -0.196 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cnn(C)c3Cl)C[C@@H]2O)c1[O-] ZINC000962319732 661944235 /nfs/dbraw/zinc/94/42/35/661944235.db2.gz VNQCKDSFJDLPEX-BDAKNGLRSA-N -1 0 368.781 -0.574 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CCc3cscn3)C[C@@H]2O)c1[O-] ZINC000962320595 661944324 /nfs/dbraw/zinc/94/43/24/661944324.db2.gz QGLGTYLOWWHZGA-MNOVXSKESA-N -1 0 365.415 -0.185 20 0 FBADRM COc1nc(C(=O)N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)co1 ZINC000962321545 661944264 /nfs/dbraw/zinc/94/42/64/661944264.db2.gz VSSUUXUEVDRHFH-APPZFPTMSA-N -1 0 351.319 -0.964 20 0 FBADRM COc1cc(C(=O)N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)sn1 ZINC000962321921 661944323 /nfs/dbraw/zinc/94/43/23/661944323.db2.gz XZTMJPSQXFIQOV-SFYZADRCSA-N -1 0 367.387 -0.496 20 0 FBADRM CO[C@H](C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1)C1CCC1 ZINC000962321982 661944230 /nfs/dbraw/zinc/94/42/30/661944230.db2.gz ZNLYRAILWNPOMM-SUNKGSAMSA-N -1 0 352.391 -0.460 20 0 FBADRM CO[C@@H](C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1)C1CCC1 ZINC000962321983 661944299 /nfs/dbraw/zinc/94/42/99/661944299.db2.gz ZNLYRAILWNPOMM-UHIISALHSA-N -1 0 352.391 -0.460 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3(F)CCOCC3)C[C@@H]2O)c1[O-] ZINC000962321990 661944303 /nfs/dbraw/zinc/94/43/03/661944303.db2.gz ZSELYDFEZKDDGU-ZJUUUORDSA-N -1 0 356.354 -0.756 20 0 FBADRM Cc1nscc1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O ZINC000962384389 661947711 /nfs/dbraw/zinc/94/77/11/661947711.db2.gz DOZZDVASLFFNGL-ZJUUUORDSA-N -1 0 351.388 -0.196 20 0 FBADRM COc1cc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]2O)on1 ZINC000962396499 661948770 /nfs/dbraw/zinc/94/87/70/661948770.db2.gz OMVATXAFVRBXBJ-SFYZADRCSA-N -1 0 351.319 -0.964 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O)c1ccoc1Cl ZINC000962528179 661954383 /nfs/dbraw/zinc/95/43/83/661954383.db2.gz ITQVDPDDMZYCJE-RQJHMYQMSA-N -1 0 369.721 -0.856 20 0 FBADRM Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]2O)ns1 ZINC000962542350 661954993 /nfs/dbraw/zinc/95/49/93/661954993.db2.gz PETVNTYJMRNKAP-ZJUUUORDSA-N -1 0 351.388 -0.196 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)[C@H]3CCCOCC3)[C@@H](O)C2)c1[O-] ZINC000962580113 661956570 /nfs/dbraw/zinc/95/65/70/661956570.db2.gz YCJGQNIOSYNTNX-TUAOUCFPSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCCOCC3)[C@@H](O)C2)c1[O-] ZINC000962580115 661956630 /nfs/dbraw/zinc/95/66/30/661956630.db2.gz YCJGQNIOSYNTNX-UTUOFQBUSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C3CCC(O)CC3)[C@@H](O)C2)c1[O-] ZINC000962584528 661956840 /nfs/dbraw/zinc/95/68/40/661956840.db2.gz UOTXFZLZGRVBOP-HCWSGVFWSA-N -1 0 352.391 -0.724 20 0 FBADRM CC1(C)CC(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2O)C1 ZINC000962652648 661958980 /nfs/dbraw/zinc/95/89/80/661958980.db2.gz ONQACFYWYAATAX-BDAKNGLRSA-N -1 0 351.363 -0.980 20 0 FBADRM CCOC1CC(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]2O)C1 ZINC000962677903 661959405 /nfs/dbraw/zinc/95/94/05/661959405.db2.gz CXNPPKMHXKLQGW-HCWSGVFWSA-N -1 0 352.391 -0.460 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O)c1sccc1F ZINC000962695701 661960987 /nfs/dbraw/zinc/96/09/87/661960987.db2.gz RISJOCOYMVPCEX-RQJHMYQMSA-N -1 0 369.334 -0.901 20 0 FBADRM Cc1csc(C(=O)N[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2O)c1 ZINC000962745441 661963306 /nfs/dbraw/zinc/96/33/06/661963306.db2.gz NMFDLGVZLXIBQB-BDAKNGLRSA-N -1 0 367.387 -0.939 20 0 FBADRM Cc1csc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2O)c1 ZINC000962748752 661963500 /nfs/dbraw/zinc/96/35/00/661963500.db2.gz XXDXAYFCGXPVCH-SFYZADRCSA-N -1 0 365.371 -0.732 20 0 FBADRM Cc1sccc1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1O ZINC000962829503 661965220 /nfs/dbraw/zinc/96/52/20/661965220.db2.gz PVRRHXQSRBMCSZ-ZJUUUORDSA-N -1 0 367.387 -0.939 20 0 FBADRM Cc1sccc1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O ZINC000962830381 661965154 /nfs/dbraw/zinc/96/51/54/661965154.db2.gz VXVZAACANZTIDM-BDAKNGLRSA-N -1 0 365.371 -0.732 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)Cn3cc(Cl)cn3)[C@@H](O)C2)c1[O-] ZINC000963150568 661973561 /nfs/dbraw/zinc/97/35/61/661973561.db2.gz ZFSVYEKAXGWUAS-ZJUUUORDSA-N -1 0 368.781 -0.725 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)Cc3cscn3)[C@@H](O)C2)c1[O-] ZINC000963211030 661975606 /nfs/dbraw/zinc/97/56/06/661975606.db2.gz HVEORGIPIGYHQW-ZJUUUORDSA-N -1 0 351.388 -0.576 20 0 FBADRM CS[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H](O)C1 ZINC000963272255 661977791 /nfs/dbraw/zinc/97/77/91/661977791.db2.gz JEWBHBLZKGCHFZ-GDPRMGEGSA-N -1 0 365.415 -0.924 20 0 FBADRM CS[C@H](C)C(=O)N1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H](O)C1 ZINC000963272256 661977768 /nfs/dbraw/zinc/97/77/68/661977768.db2.gz JEWBHBLZKGCHFZ-IEBDPFPHSA-N -1 0 365.415 -0.924 20 0 FBADRM CC(C)(F)C(=O)N1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H](O)C1 ZINC000963272528 661977724 /nfs/dbraw/zinc/97/77/24/661977724.db2.gz NNPISGOXCURQDF-ZJUUUORDSA-N -1 0 351.338 -0.928 20 0 FBADRM CC[C@H](F)C(=O)N1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H](O)C1 ZINC000963279348 661977737 /nfs/dbraw/zinc/97/77/37/661977737.db2.gz UJZYPMLPJKJITK-AXFHLTTASA-N -1 0 351.338 -0.928 20 0 FBADRM CC[C@@H](F)C(=O)N1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H](O)C1 ZINC000963279349 661977777 /nfs/dbraw/zinc/97/77/77/661977777.db2.gz UJZYPMLPJKJITK-MXWKQRLJSA-N -1 0 351.338 -0.928 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C[C@@H]3CCCOC3)[C@@H](O)C2)c1[O-] ZINC000963683742 661982495 /nfs/dbraw/zinc/98/24/95/661982495.db2.gz HHQBCBXSGAOFCW-TUAOUCFPSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C[C@H]3CCCOC3)[C@@H](O)C2)c1[O-] ZINC000963683744 661982432 /nfs/dbraw/zinc/98/24/32/661982432.db2.gz HHQBCBXSGAOFCW-UTUOFQBUSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)c3c(Cl)cnn3C)[C@@H](O)C2)c1[O-] ZINC000963850767 661985786 /nfs/dbraw/zinc/98/57/86/661985786.db2.gz QPPJGVNUDPQIHJ-BDAKNGLRSA-N -1 0 368.781 -0.574 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)c3nn(C)cc3Cl)[C@@H](O)C2)c1[O-] ZINC000963929470 661987146 /nfs/dbraw/zinc/98/71/46/661987146.db2.gz FNYJAHUIBKTMJB-BDAKNGLRSA-N -1 0 368.781 -0.574 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@H]2COCCN2C(=O)[C@]23C[C@H]2COC3)c1[O-] ZINC000964146659 661993466 /nfs/dbraw/zinc/99/34/66/661993466.db2.gz APXMLRYJHMVKSA-MMPTUQATSA-N -1 0 350.375 -0.583 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@@H]2COCCN2C(=O)[C@]23C[C@H]2COC3)c1[O-] ZINC000964146664 661993336 /nfs/dbraw/zinc/99/33/36/661993336.db2.gz APXMLRYJHMVKSA-USBNGQNGSA-N -1 0 350.375 -0.583 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@H]2COCCN2C(=O)[C@H]2OCC[C@H]2C)c1[O-] ZINC000964154725 661993754 /nfs/dbraw/zinc/99/37/54/661993754.db2.gz KJUCLZALSIIVSN-PUYPPJJSSA-N -1 0 352.391 -0.194 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@@H]2COCCN2C(=O)[C@H]2OCC[C@H]2C)c1[O-] ZINC000964154769 661993720 /nfs/dbraw/zinc/99/37/20/661993720.db2.gz KJUCLZALSIIVSN-UDZFHETQSA-N -1 0 352.391 -0.194 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@H]2COCCN2C(=O)[C@H]2CC[C@@H](C)O2)c1[O-] ZINC000964156357 661993745 /nfs/dbraw/zinc/99/37/45/661993745.db2.gz QKQFRUNSMPDMQB-ADEWGFFLSA-N -1 0 352.391 -0.052 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@@H]2COCCN2C(=O)[C@H]2CC[C@@H](C)O2)c1[O-] ZINC000964156364 661993699 /nfs/dbraw/zinc/99/36/99/661993699.db2.gz QKQFRUNSMPDMQB-YUSALJHKSA-N -1 0 352.391 -0.052 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@]23C[C@H]2COC3)c1[O-] ZINC000964215330 661994665 /nfs/dbraw/zinc/99/46/65/661994665.db2.gz USRBUHFCWGITJF-MMPTUQATSA-N -1 0 350.375 -0.583 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCOC[C@H]2CNC(=O)[C@]23C[C@H]2COC3)c1[O-] ZINC000964215331 661994596 /nfs/dbraw/zinc/99/45/96/661994596.db2.gz USRBUHFCWGITJF-USBNGQNGSA-N -1 0 350.375 -0.583 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)N1CCOC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000964273961 661996806 /nfs/dbraw/zinc/99/68/06/661996806.db2.gz RGWDVGDKPFZREC-KXUCPTDWSA-N -1 0 351.363 -0.714 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)N1CCOC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000964273962 661996846 /nfs/dbraw/zinc/99/68/46/661996846.db2.gz RGWDVGDKPFZREC-OPRDCNLKSA-N -1 0 351.363 -0.714 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@H]2OCC[C@H]2C)c1[O-] ZINC000964354728 661998580 /nfs/dbraw/zinc/99/85/80/661998580.db2.gz JZZHYYFAPOSBSB-PUYPPJJSSA-N -1 0 352.391 -0.194 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCOC[C@H]2CNC(=O)[C@H]2OCC[C@H]2C)c1[O-] ZINC000964354729 661998490 /nfs/dbraw/zinc/99/84/90/661998490.db2.gz JZZHYYFAPOSBSB-UDZFHETQSA-N -1 0 352.391 -0.194 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@H]2CC[C@@H](C)O2)c1[O-] ZINC000964363611 661999398 /nfs/dbraw/zinc/99/93/98/661999398.db2.gz YKTFBVGIONPESO-ADEWGFFLSA-N -1 0 352.391 -0.052 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCOC[C@H]2CNC(=O)[C@H]2CC[C@@H](C)O2)c1[O-] ZINC000964363613 661999305 /nfs/dbraw/zinc/99/93/05/661999305.db2.gz YKTFBVGIONPESO-YUSALJHKSA-N -1 0 352.391 -0.052 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000964368314 661999867 /nfs/dbraw/zinc/99/98/67/661999867.db2.gz HQVQYUDACNMHED-GMTAPVOTSA-N -1 0 353.379 -0.921 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@H]1COCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000964368315 661999774 /nfs/dbraw/zinc/99/97/74/661999774.db2.gz HQVQYUDACNMHED-OUAUKWLOSA-N -1 0 353.379 -0.921 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@H]1COCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000964371661 661999798 /nfs/dbraw/zinc/99/97/98/661999798.db2.gz ZWKXTWRZOJLKNX-KXUCPTDWSA-N -1 0 351.363 -0.714 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000964371663 661999833 /nfs/dbraw/zinc/99/98/33/661999833.db2.gz ZWKXTWRZOJLKNX-OPRDCNLKSA-N -1 0 351.363 -0.714 20 0 FBADRM COc1cc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]2O)sn1 ZINC000964614030 662001957 /nfs/dbraw/zinc/00/19/57/662001957.db2.gz UGMQFRVRAMXWNK-SFYZADRCSA-N -1 0 367.387 -0.496 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)c3c(C)[nH]nc3Cl)[C@@H](O)C2)c1[O-] ZINC000965580032 662016691 /nfs/dbraw/zinc/01/66/91/662016691.db2.gz HQVNJQDXPZTJKH-SFYZADRCSA-N -1 0 368.781 -0.276 20 0 FBADRM Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](NC(=O)Cc2cncs2)[C@@H](O)C1 ZINC000966702302 662034734 /nfs/dbraw/zinc/03/47/34/662034734.db2.gz UXEOOIRSASTLGH-MNOVXSKESA-N -1 0 363.399 -0.509 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)Cc3cncs3)[C@@H](O)C2)c1[O-] ZINC000966726565 662034930 /nfs/dbraw/zinc/03/49/30/662034930.db2.gz DUTBKYRTSSDCJX-ZJUUUORDSA-N -1 0 351.388 -0.576 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C3(F)CCOCC3)[C@@H](O)C2)c1[O-] ZINC000967158453 662040662 /nfs/dbraw/zinc/04/06/62/662040662.db2.gz HAMPNYPNCMVICE-ZJUUUORDSA-N -1 0 356.354 -0.756 20 0 FBADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(C(=O)[C@H]2OCCO[C@H]2C)C1 ZINC000967887696 662049884 /nfs/dbraw/zinc/04/98/84/662049884.db2.gz WHKADMUPSMWJQP-HZMBPMFUSA-N -1 0 352.391 -0.099 20 0 FBADRM CCN(C(=O)[C@H]1OCCO[C@H]1C)C1CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000968082278 662053408 /nfs/dbraw/zinc/05/34/08/662053408.db2.gz CVHILCBUDNIKFP-HZMBPMFUSA-N -1 0 352.391 -0.099 20 0 FBADRM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O)C1CCC1 ZINC000968142002 662054850 /nfs/dbraw/zinc/05/48/50/662054850.db2.gz PWIDLLNUQLRYNG-QNSHHTMESA-N -1 0 351.363 -0.980 20 0 FBADRM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O)C1CCC1 ZINC000968142004 662054799 /nfs/dbraw/zinc/05/47/99/662054799.db2.gz PWIDLLNUQLRYNG-SFGNSQDASA-N -1 0 351.363 -0.980 20 0 FBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000968180230 662055153 /nfs/dbraw/zinc/05/51/53/662055153.db2.gz LZFHSMOJHKVHMN-PSASIEDQSA-N -1 0 351.363 -0.477 20 0 FBADRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)[C@H]2OCC[C@H]2C)C1 ZINC000968180994 662055107 /nfs/dbraw/zinc/05/51/07/662055107.db2.gz OCQODKXPPDPHMB-KCJUWKMLSA-N -1 0 351.363 -0.619 20 0 FBADRM O=C(CC1CC(F)(F)C1)N[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@@H]1O ZINC000968319094 662056638 /nfs/dbraw/zinc/05/66/38/662056638.db2.gz BDGRXHGZNMDYFP-MNOVXSKESA-N -1 0 356.329 -0.081 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O ZINC000968375647 662058705 /nfs/dbraw/zinc/05/87/05/662058705.db2.gz GBVCQOZOKVLUQQ-PUHVVEEASA-N -1 0 352.391 -0.460 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O)c1ccc(F)s1 ZINC000968438077 662061900 /nfs/dbraw/zinc/06/19/00/662061900.db2.gz RTUKIUKXXHMOBB-RITPCOANSA-N -1 0 369.334 -0.901 20 0 FBADRM CSCC(=O)N1C[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)[C@@H](O)C1 ZINC000968572494 662070553 /nfs/dbraw/zinc/07/05/53/662070553.db2.gz GKVBJOFCOZNSPH-OLZOCXBDSA-N -1 0 370.475 -0.574 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@@H]2O)cc1=O ZINC000968572866 662070587 /nfs/dbraw/zinc/07/05/87/662070587.db2.gz KQDBAOJIRVLIHW-KGLIPLIRSA-N -1 0 350.419 -0.527 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@@H]2O)cc1=O ZINC000968573071 662070594 /nfs/dbraw/zinc/07/05/94/662070594.db2.gz OTGOQPAHTCUDTR-MNOVXSKESA-N -1 0 360.361 -0.672 20 0 FBADRM CCCC(=O)N1C[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)[C@@H](O)C1 ZINC000968573094 662070498 /nfs/dbraw/zinc/07/04/98/662070498.db2.gz PKYAUBFBJUTCAY-KGLIPLIRSA-N -1 0 352.435 -0.137 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H]2CN(C(=O)C(C)C)C[C@@H]2O)cc1=O ZINC000968573255 662070520 /nfs/dbraw/zinc/07/05/20/662070520.db2.gz STXZLKYBECAADD-KGLIPLIRSA-N -1 0 352.435 -0.281 20 0 FBADRM CCc1nnsc1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O ZINC000968596352 662071589 /nfs/dbraw/zinc/07/15/89/662071589.db2.gz QJVNIIGMHVJSCJ-BDAKNGLRSA-N -1 0 366.403 -0.547 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)c3cnn(C)c3Cl)[C@@H](O)C2)c1[O-] ZINC000968620853 662073784 /nfs/dbraw/zinc/07/37/84/662073784.db2.gz GYJGGAHYWBLUCA-BDAKNGLRSA-N -1 0 368.781 -0.574 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)c3cnc(Cl)n3C)[C@@H](O)C2)c1[O-] ZINC000968855477 662089527 /nfs/dbraw/zinc/08/95/27/662089527.db2.gz QJAWXTIZAQUMFJ-APPZFPTMSA-N -1 0 368.781 -0.574 20 0 FBADRM Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2O)cs1 ZINC000968898431 662094109 /nfs/dbraw/zinc/09/41/09/662094109.db2.gz KSFRUPUZCSCLFX-BDAKNGLRSA-N -1 0 365.371 -0.732 20 0 FBADRM Cc1cc(C(=O)N[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2O)cs1 ZINC000968898827 662094218 /nfs/dbraw/zinc/09/42/18/662094218.db2.gz QDUCGCCZTLWBPC-ZJUUUORDSA-N -1 0 367.387 -0.939 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C3(C)CCOCC3)[C@@H](O)C2)c1[O-] ZINC000968906568 662094975 /nfs/dbraw/zinc/09/49/75/662094975.db2.gz ZRFLOPAIMWSOPK-MNOVXSKESA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)c3cn(C)nc3Cl)[C@@H](O)C2)c1[O-] ZINC000968929378 662096866 /nfs/dbraw/zinc/09/68/66/662096866.db2.gz LSCZTCLGPIESRG-BDAKNGLRSA-N -1 0 368.781 -0.574 20 0 FBADRM CC[C@@H](F)C(=O)N1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H](O)C1 ZINC000969053564 662104603 /nfs/dbraw/zinc/10/46/03/662104603.db2.gz AOTFWKPCZBQOIZ-QNSHHTMESA-N -1 0 352.322 -0.022 20 0 FBADRM CC[C@H](F)C(=O)N1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H](O)C1 ZINC000969053565 662104681 /nfs/dbraw/zinc/10/46/81/662104681.db2.gz AOTFWKPCZBQOIZ-SFGNSQDASA-N -1 0 352.322 -0.022 20 0 FBADRM CS[C@H](C)C(=O)N1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H](O)C1 ZINC000969053624 662104664 /nfs/dbraw/zinc/10/46/64/662104664.db2.gz CVXTWYVLYBEBSC-QNSHHTMESA-N -1 0 366.399 -0.019 20 0 FBADRM CS[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H](O)C1 ZINC000969053625 662104643 /nfs/dbraw/zinc/10/46/43/662104643.db2.gz CVXTWYVLYBEBSC-SFGNSQDASA-N -1 0 366.399 -0.019 20 0 FBADRM CC(F)(F)C(=O)N1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H](O)C1 ZINC000969053852 662104727 /nfs/dbraw/zinc/10/47/27/662104727.db2.gz FFUAOPRBSOZNEJ-SFYZADRCSA-N -1 0 356.285 -0.115 20 0 FBADRM CC(C)(F)C(=O)N1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H](O)C1 ZINC000969054281 662104653 /nfs/dbraw/zinc/10/46/53/662104653.db2.gz KOJMAHMLLDKANA-BDAKNGLRSA-N -1 0 352.322 -0.022 20 0 FBADRM CO[C@H](C)C(=O)N1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H](O)C1 ZINC000969054501 662104737 /nfs/dbraw/zinc/10/47/37/662104737.db2.gz NJIMZMBDSBIHFA-QNSHHTMESA-N -1 0 350.331 -0.735 20 0 FBADRM CO[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H](O)C1 ZINC000969054502 662104689 /nfs/dbraw/zinc/10/46/89/662104689.db2.gz NJIMZMBDSBIHFA-SFGNSQDASA-N -1 0 350.331 -0.735 20 0 FBADRM CSCC(=O)N1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H](O)C1 ZINC000969054528 662104622 /nfs/dbraw/zinc/10/46/22/662104622.db2.gz NVROHMOWOWDEOT-BDAKNGLRSA-N -1 0 352.372 -0.407 20 0 FBADRM COc1nc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]2O)co1 ZINC000969137845 657104068 /nfs/dbraw/zinc/10/40/68/657104068.db2.gz HZAYFALCQMRSNR-APPZFPTMSA-N -1 0 351.319 -0.964 20 0 FBADRM CC1(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2O)CCCC1 ZINC000969168516 657110871 /nfs/dbraw/zinc/11/08/71/657110871.db2.gz JTFJWOHZENQYEU-BDAKNGLRSA-N -1 0 351.363 -0.835 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)C2CCCCC2)C[C@@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC000969214476 657116560 /nfs/dbraw/zinc/11/65/60/657116560.db2.gz ADBWANPPTITDSJ-ZJUUUORDSA-N -1 0 351.363 -0.835 20 0 FBADRM O=C(CC1CCCC1)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC000969214836 657116518 /nfs/dbraw/zinc/11/65/18/657116518.db2.gz JUVQJRDVUJNPLM-ZJUUUORDSA-N -1 0 351.363 -0.835 20 0 FBADRM CC1(C)CC(C(=O)N2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)C1 ZINC000969215010 657116569 /nfs/dbraw/zinc/11/65/69/657116569.db2.gz MQOOYYOLZOWRFA-BDAKNGLRSA-N -1 0 351.363 -0.980 20 0 FBADRM Cc1csc(C(=O)N2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)c1 ZINC000969215054 657116610 /nfs/dbraw/zinc/11/66/10/657116610.db2.gz NKXIBBSNCMQQQZ-SFYZADRCSA-N -1 0 365.371 -0.732 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2ccoc2Cl)C[C@@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC000969215084 657116538 /nfs/dbraw/zinc/11/65/38/657116538.db2.gz OXOBFMDKPDDROM-RQJHMYQMSA-N -1 0 369.721 -0.856 20 0 FBADRM Cc1ccsc1C(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC000969215099 657116514 /nfs/dbraw/zinc/11/65/14/657116514.db2.gz POZQCHJZULNHOW-SFYZADRCSA-N -1 0 365.371 -0.732 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2ccc(Cl)o2)C[C@@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC000969215187 657116521 /nfs/dbraw/zinc/11/65/21/657116521.db2.gz TYCDMHPRJJFSCX-RITPCOANSA-N -1 0 369.721 -0.856 20 0 FBADRM O=C(CCC1CCC1)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC000969215205 657116589 /nfs/dbraw/zinc/11/65/89/657116589.db2.gz UXKPICUCQRQWID-ZJUUUORDSA-N -1 0 351.363 -0.835 20 0 FBADRM Cc1cscc1C(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC000969215231 657116510 /nfs/dbraw/zinc/11/65/10/657116510.db2.gz VUIUWNMGWRYDBV-BDAKNGLRSA-N -1 0 365.371 -0.732 20 0 FBADRM Cc1ccc(C(=O)N2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)s1 ZINC000969215239 657116617 /nfs/dbraw/zinc/11/66/17/657116617.db2.gz WABDBYPMYPONPH-SFYZADRCSA-N -1 0 365.371 -0.732 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2sccc2F)C[C@@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC000969215264 657116544 /nfs/dbraw/zinc/11/65/44/657116544.db2.gz XNYZKZNLVBCGIC-RQJHMYQMSA-N -1 0 369.334 -0.901 20 0 FBADRM Cc1sccc1C(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC000969217609 657117315 /nfs/dbraw/zinc/11/73/15/657117315.db2.gz BIQZQZXDAHSKMC-BDAKNGLRSA-N -1 0 365.371 -0.732 20 0 FBADRM CC(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC000969217684 657117300 /nfs/dbraw/zinc/11/73/00/657117300.db2.gz CZHUFOWLTDFMGB-BDAKNGLRSA-N -1 0 353.379 -0.734 20 0 FBADRM Cc1cc(C(=O)N2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)cs1 ZINC000969218493 657117228 /nfs/dbraw/zinc/11/72/28/657117228.db2.gz UVRAXUIOXGRIBJ-BDAKNGLRSA-N -1 0 365.371 -0.732 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2occc2Cl)C[C@@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC000969220776 657117273 /nfs/dbraw/zinc/11/72/73/657117273.db2.gz ATTHMQRXXYUCRO-RQJHMYQMSA-N -1 0 369.721 -0.856 20 0 FBADRM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1)C1CCC1 ZINC000969220802 657117126 /nfs/dbraw/zinc/11/71/26/657117126.db2.gz BUCMIBOMQDZHMY-QNSHHTMESA-N -1 0 351.363 -0.980 20 0 FBADRM C[C@H](C(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1)C1CCC1 ZINC000969220803 657117292 /nfs/dbraw/zinc/11/72/92/657117292.db2.gz BUCMIBOMQDZHMY-SFGNSQDASA-N -1 0 351.363 -0.980 20 0 FBADRM CC1(C(=O)N2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)CCCC1 ZINC000969220905 657117120 /nfs/dbraw/zinc/11/71/20/657117120.db2.gz HOOCWQNJOFNZKY-BDAKNGLRSA-N -1 0 351.363 -0.835 20 0 FBADRM CCC[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC000969221034 657117143 /nfs/dbraw/zinc/11/71/43/657117143.db2.gz NZSOXMMUCNQFRS-KYXWUPHJSA-N -1 0 351.363 -0.980 20 0 FBADRM C[C@H](CC(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1)C1CC1 ZINC000969221101 657117099 /nfs/dbraw/zinc/11/70/99/657117099.db2.gz PZDDCCDKLCPFCO-QNSHHTMESA-N -1 0 351.363 -0.980 20 0 FBADRM C[C@@H](CC(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1)C1CC1 ZINC000969221102 657117205 /nfs/dbraw/zinc/11/72/05/657117205.db2.gz PZDDCCDKLCPFCO-SFGNSQDASA-N -1 0 351.363 -0.980 20 0 FBADRM CCC(C)(CC)C(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC000969221107 657117259 /nfs/dbraw/zinc/11/72/59/657117259.db2.gz QCCANURIUHAMLN-BDAKNGLRSA-N -1 0 353.379 -0.589 20 0 FBADRM CC(C)C1(C(=O)N2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)CC1 ZINC000969221211 657117148 /nfs/dbraw/zinc/11/71/48/657117148.db2.gz VVSGUCODAFSCDA-BDAKNGLRSA-N -1 0 351.363 -0.980 20 0 FBADRM CCC1(C(=O)N2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)CCC1 ZINC000969223585 657117285 /nfs/dbraw/zinc/11/72/85/657117285.db2.gz LMKQKVVNNLNICA-BDAKNGLRSA-N -1 0 351.363 -0.835 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2ccc(F)s2)C[C@@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC000969223735 657117184 /nfs/dbraw/zinc/11/71/84/657117184.db2.gz PAJLUJUHEQTXAB-RITPCOANSA-N -1 0 369.334 -0.901 20 0 FBADRM CC(C)(C(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1)C1CC1 ZINC000969223764 657117154 /nfs/dbraw/zinc/11/71/54/657117154.db2.gz QFXTXHJYRMSEBN-BDAKNGLRSA-N -1 0 351.363 -0.980 20 0 FBADRM C[C@H](C(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1)C(C)(C)C ZINC000969223831 657117266 /nfs/dbraw/zinc/11/72/66/657117266.db2.gz TVBGPXHNIITHFK-HLTSFMKQSA-N -1 0 353.379 -0.734 20 0 FBADRM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1)C(C)(C)C ZINC000969223832 657117303 /nfs/dbraw/zinc/11/73/03/657117303.db2.gz TVBGPXHNIITHFK-YIZRAAEISA-N -1 0 353.379 -0.734 20 0 FBADRM CC1(C)CC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC000969223949 657117230 /nfs/dbraw/zinc/11/72/30/657117230.db2.gz XSSLGMNAMUPLGS-HLTSFMKQSA-N -1 0 351.363 -0.980 20 0 FBADRM CC1(C)CC[C@H]1C(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC000969223950 657117235 /nfs/dbraw/zinc/11/72/35/657117235.db2.gz XSSLGMNAMUPLGS-YIZRAAEISA-N -1 0 351.363 -0.980 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)c3cc(Cl)n(C)n3)[C@@H](O)C2)c1[O-] ZINC000969245156 657120548 /nfs/dbraw/zinc/12/05/48/657120548.db2.gz HDXFZTLJPUGNMX-BDAKNGLRSA-N -1 0 368.781 -0.574 20 0 FBADRM Cc1cc(C(=O)N2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H](O)C2)cs1 ZINC000969424355 657143394 /nfs/dbraw/zinc/14/33/94/657143394.db2.gz ACTHGHKRJPAINR-ZJUUUORDSA-N -1 0 367.387 -0.939 20 0 FBADRM Cc1cscc1C(=O)N1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC000969425170 657144116 /nfs/dbraw/zinc/14/41/16/657144116.db2.gz LNDRFIZFYRTGEE-ZJUUUORDSA-N -1 0 367.387 -0.939 20 0 FBADRM Cc1csc(C(=O)N2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H](O)C2)c1 ZINC000969425175 657143843 /nfs/dbraw/zinc/14/38/43/657143843.db2.gz LUMYLQHXVGDCOB-BDAKNGLRSA-N -1 0 367.387 -0.939 20 0 FBADRM Cc1sccc1C(=O)N1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC000969425219 657144002 /nfs/dbraw/zinc/14/40/02/657144002.db2.gz NDLXTYGSAGHDAE-ZJUUUORDSA-N -1 0 367.387 -0.939 20 0 FBADRM Cc1ccc(C(=O)N2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H](O)C2)s1 ZINC000969425456 657143818 /nfs/dbraw/zinc/14/38/18/657143818.db2.gz POYSWRVEYFSUGH-BDAKNGLRSA-N -1 0 367.387 -0.939 20 0 FBADRM Cc1ccsc1C(=O)N1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC000969425658 657143803 /nfs/dbraw/zinc/14/38/03/657143803.db2.gz ZKEAOCCLBPFHRB-BDAKNGLRSA-N -1 0 367.387 -0.939 20 0 FBADRM CC(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC000969427060 657144043 /nfs/dbraw/zinc/14/40/43/657144043.db2.gz SBUOFYOAWOWEKH-ZJUUUORDSA-N -1 0 355.395 -0.941 20 0 FBADRM CCC(C)(CC)C(=O)N1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC000969430497 657143919 /nfs/dbraw/zinc/14/39/19/657143919.db2.gz CNLZPBNFGDWQCS-ZJUUUORDSA-N -1 0 355.395 -0.797 20 0 FBADRM C[C@@H](C(=O)N1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](O)C1)C(C)(C)C ZINC000969431364 657144644 /nfs/dbraw/zinc/14/46/44/657144644.db2.gz ZBZLAODGVLFFNR-AEJSXWLSSA-N -1 0 355.395 -0.941 20 0 FBADRM C[C@H](C(=O)N1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](O)C1)C(C)(C)C ZINC000969431367 657144689 /nfs/dbraw/zinc/14/46/89/657144689.db2.gz ZBZLAODGVLFFNR-BBBLOLIVSA-N -1 0 355.395 -0.941 20 0 FBADRM CCC(CC)C(=O)N1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](O)C1 ZINC000969492112 657149719 /nfs/dbraw/zinc/14/97/19/657149719.db2.gz AGYQZACDBWVBQJ-NEPJUHHUSA-N -1 0 352.391 -0.776 20 0 FBADRM CC(C)[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](O)C1 ZINC000969495970 657149873 /nfs/dbraw/zinc/14/98/73/657149873.db2.gz YZEPPZYJORVFNY-JLLWLGSASA-N -1 0 352.391 -0.921 20 0 FBADRM CC(C)[C@H](C)C(=O)N1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](O)C1 ZINC000969495971 657149712 /nfs/dbraw/zinc/14/97/12/657149712.db2.gz YZEPPZYJORVFNY-WCQGTBRESA-N -1 0 352.391 -0.921 20 0 FBADRM CC(C)=C(F)C(=O)N1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](O)C1 ZINC000969499492 657151529 /nfs/dbraw/zinc/15/15/29/657151529.db2.gz RXBRHRBVVWNTJF-ZJUUUORDSA-N -1 0 354.338 -0.949 20 0 FBADRM CCC(C)(C)C(=O)N1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](O)C1 ZINC000969499835 657152107 /nfs/dbraw/zinc/15/21/07/657152107.db2.gz XKEJFTVVUOCEQP-MNOVXSKESA-N -1 0 352.391 -0.776 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O ZINC000969609871 657164407 /nfs/dbraw/zinc/16/44/07/657164407.db2.gz HJWUNVKZYLMIBN-WYUUTHIRSA-N -1 0 352.391 -0.460 20 0 FBADRM CC1(C)CC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O ZINC000969818279 657192268 /nfs/dbraw/zinc/19/22/68/657192268.db2.gz HMOOJNZDXQKRJB-HLTSFMKQSA-N -1 0 351.363 -0.980 20 0 FBADRM CC1(C)CC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O ZINC000969818280 657192124 /nfs/dbraw/zinc/19/21/24/657192124.db2.gz HMOOJNZDXQKRJB-YIZRAAEISA-N -1 0 351.363 -0.980 20 0 FBADRM CC(C)(C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O)C1CC1 ZINC000969857138 657202392 /nfs/dbraw/zinc/20/23/92/657202392.db2.gz WKBZJGKWKCBGBT-BDAKNGLRSA-N -1 0 351.363 -0.980 20 0 FBADRM Cc1nc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]2O)cs1 ZINC000969939950 657214511 /nfs/dbraw/zinc/21/45/11/657214511.db2.gz KNZWDSKUXUASGN-SCZZXKLOSA-N -1 0 351.388 -0.196 20 0 FBADRM COc1ccc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]2O)o1 ZINC000970056075 657235877 /nfs/dbraw/zinc/23/58/77/657235877.db2.gz USSDTGGSQGBNRU-BDAKNGLRSA-N -1 0 350.331 -0.359 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)[C@@]3(C)CCCOC3)[C@@H](O)C2)c1[O-] ZINC000970114569 657245593 /nfs/dbraw/zinc/24/55/93/657245593.db2.gz PLLGGFXSHCCHGK-GDLVEWKHSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)[C@]3(C)CCCOC3)[C@@H](O)C2)c1[O-] ZINC000970114570 657245581 /nfs/dbraw/zinc/24/55/81/657245581.db2.gz PLLGGFXSHCCHGK-OHUAYANFSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)c3cc(Cl)no3)[C@@H](O)C2)c1[O-] ZINC000970226237 657270722 /nfs/dbraw/zinc/27/07/22/657270722.db2.gz VIBVDAPOTBJPQJ-RQJHMYQMSA-N -1 0 355.738 -0.320 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)CC3=CCOCC3)[C@@H](O)C2)c1[O-] ZINC000970335052 657288206 /nfs/dbraw/zinc/28/82/06/657288206.db2.gz FYOANCNFLWYGQD-NEPJUHHUSA-N -1 0 350.375 -0.538 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O)c1occc1Cl ZINC000970349334 657289614 /nfs/dbraw/zinc/28/96/14/657289614.db2.gz BPFORNHMCQRIFX-RQJHMYQMSA-N -1 0 369.721 -0.856 20 0 FBADRM CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O ZINC000970384245 657302364 /nfs/dbraw/zinc/30/23/64/657302364.db2.gz CRPBRSBNXOAYKQ-KYXWUPHJSA-N -1 0 351.363 -0.980 20 0 FBADRM Cc1nc(CC(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]2O)cs1 ZINC000970750846 657354483 /nfs/dbraw/zinc/35/44/83/657354483.db2.gz FCARGDSILWPNLM-MNOVXSKESA-N -1 0 365.415 -0.267 20 0 FBADRM CSCC(=O)N1C[C@@H](NC(=O)c2n[n-]c3ccccc3c2=O)[C@@H](O)C1 ZINC000970801235 657363630 /nfs/dbraw/zinc/36/36/30/657363630.db2.gz AFZYJLRQOGJZNF-NEPJUHHUSA-N -1 0 362.411 0.000 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)C(F)F)C[C@@H]1O)c1n[n-]c2ccccc2c1=O ZINC000970802641 657364103 /nfs/dbraw/zinc/36/41/03/657364103.db2.gz LVTXONPUKJMHDD-ZJUUUORDSA-N -1 0 352.297 -0.098 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H](O)C2)c1[O-] ZINC000970843830 657371751 /nfs/dbraw/zinc/37/17/51/657371751.db2.gz ASMWBXZOVAZYDQ-JCIQBVFBSA-N -1 0 350.375 -0.707 20 0 FBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC[C@@H]2CN(C(=O)C(F)F)[C@@H]2C1 ZINC000970999370 657380826 /nfs/dbraw/zinc/38/08/26/657380826.db2.gz HUEDYDIZUNVEAS-PSASIEDQSA-N -1 0 351.313 -0.039 20 0 FBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N1CC[C@@H]2CN(C(=O)C(F)F)[C@@H]2C1 ZINC000971007497 657381416 /nfs/dbraw/zinc/38/14/16/657381416.db2.gz HBDXHSDVPOKKPK-VXNVDRBHSA-N -1 0 357.317 -0.460 20 0 FBADRM CSCC(=O)N1C[C@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC000971237302 657394130 /nfs/dbraw/zinc/39/41/30/657394130.db2.gz BAVPVMDZAAWPDX-MWLCHTKSSA-N -1 0 352.416 -0.478 20 0 FBADRM CSCC(=O)N1C[C@H]2CCN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000971238180 657394115 /nfs/dbraw/zinc/39/41/15/657394115.db2.gz NLTNJMKNQXPYCQ-MWLCHTKSSA-N -1 0 367.431 -0.362 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4COCCO4)[C@@H]3C2)c1[O-] ZINC000971398803 657410215 /nfs/dbraw/zinc/41/02/15/657410215.db2.gz TVBKCPSMHXIYMB-IJLUTSLNSA-N -1 0 350.375 -0.488 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4COCCO4)[C@@H]3C2)c1[O-] ZINC000971398804 657410173 /nfs/dbraw/zinc/41/01/73/657410173.db2.gz TVBKCPSMHXIYMB-UTUOFQBUSA-N -1 0 350.375 -0.488 20 0 FBADRM CS[C@@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000971416871 657413595 /nfs/dbraw/zinc/41/35/95/657413595.db2.gz UEBIRCXKHMXMBJ-DJLDLDEBSA-N -1 0 353.404 -0.293 20 0 FBADRM CS[C@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000971416874 657413647 /nfs/dbraw/zinc/41/36/47/657413647.db2.gz UEBIRCXKHMXMBJ-IWSPIJDZSA-N -1 0 353.404 -0.293 20 0 FBADRM CS[C@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC000971421878 657414387 /nfs/dbraw/zinc/41/43/87/657414387.db2.gz MDZDIQAQCCLYIX-CKYFFXLPSA-N -1 0 366.443 -0.090 20 0 FBADRM CS[C@@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC000971421880 657414323 /nfs/dbraw/zinc/41/43/23/657414323.db2.gz MDZDIQAQCCLYIX-HOSYDEDBSA-N -1 0 366.443 -0.090 20 0 FBADRM CS[C@@H](C)C(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000971428248 657414978 /nfs/dbraw/zinc/41/49/78/657414978.db2.gz YGVKNQJAIDSICT-IVZWLZJFSA-N -1 0 355.420 -0.500 20 0 FBADRM CS[C@H](C)C(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000971428249 657414855 /nfs/dbraw/zinc/41/48/55/657414855.db2.gz YGVKNQJAIDSICT-OPRDCNLKSA-N -1 0 355.420 -0.500 20 0 FBADRM O=C(c1cnsn1)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000971438613 657416732 /nfs/dbraw/zinc/41/67/32/657416732.db2.gz MSFADLCEFXAUHI-HTRCEHHLSA-N -1 0 363.359 -0.879 20 0 FBADRM O=C(c1cnns1)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000971448734 657417768 /nfs/dbraw/zinc/41/77/68/657417768.db2.gz NZQZMHPGMCWDSY-RNFRBKRXSA-N -1 0 363.359 -0.879 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H]2CN(C(=O)c3cncs3)[C@@H]2C1 ZINC000971463497 657421661 /nfs/dbraw/zinc/42/16/61/657421661.db2.gz HYQSDQMKDIPUJD-RKDXNWHRSA-N -1 0 364.387 -0.481 20 0 FBADRM O=C(c1cncs1)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000971463513 657421576 /nfs/dbraw/zinc/42/15/76/657421576.db2.gz JEYJEOOPJPAYKU-HTQZYQBOSA-N -1 0 362.371 -0.274 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]3CN(C(=O)CS(C)(=O)=O)[C@@H]3C2)c1[O-] ZINC000971480384 657423716 /nfs/dbraw/zinc/42/37/16/657423716.db2.gz QCSMSWFETLUASC-NXEZZACHSA-N -1 0 356.404 -0.859 20 0 FBADRM O=C(CC(F)(F)F)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000971491443 657426989 /nfs/dbraw/zinc/42/69/89/657426989.db2.gz KRNIUFZQABINIO-RNFRBKRXSA-N -1 0 361.280 -0.092 20 0 FBADRM O=C(CC(F)(F)F)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000971491730 657426924 /nfs/dbraw/zinc/42/69/24/657426924.db2.gz OQIRUBZMZMTINY-HTQZYQBOSA-N -1 0 363.296 -0.299 20 0 FBADRM CC[C@@H](OC)C(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000971525252 657428933 /nfs/dbraw/zinc/42/89/33/657428933.db2.gz IGSMXADXVBTSEZ-GMTAPVOTSA-N -1 0 353.379 -0.826 20 0 FBADRM CC[C@H](OC)C(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000971525253 657429018 /nfs/dbraw/zinc/42/90/18/657429018.db2.gz IGSMXADXVBTSEZ-MXWKQRLJSA-N -1 0 353.379 -0.826 20 0 FBADRM CC[C@H](OC)C(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000971525347 657428997 /nfs/dbraw/zinc/42/89/97/657428997.db2.gz KKMUPLCARKTLIK-BBBLOLIVSA-N -1 0 351.363 -0.619 20 0 FBADRM CC[C@@H](OC)C(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000971525351 657428741 /nfs/dbraw/zinc/42/87/41/657428741.db2.gz KKMUPLCARKTLIK-OPRDCNLKSA-N -1 0 351.363 -0.619 20 0 FBADRM O=C(c1cscn1)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000971546229 657431521 /nfs/dbraw/zinc/43/15/21/657431521.db2.gz JAUHLLLQXZPASE-VXNVDRBHSA-N -1 0 362.371 -0.274 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H]2CN(C(=O)c3cscn3)[C@@H]2C1 ZINC000971547419 657431602 /nfs/dbraw/zinc/43/16/02/657431602.db2.gz YQLISTTUVLDZNJ-PSASIEDQSA-N -1 0 364.387 -0.481 20 0 FBADRM C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H](N(C)Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC000971549329 657431629 /nfs/dbraw/zinc/43/16/29/657431629.db2.gz HXUWRCUUWRBJBX-GRYCIOLGSA-N -1 0 350.423 -0.944 20 0 FBADRM C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H](N(C)Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC000971549330 657431607 /nfs/dbraw/zinc/43/16/07/657431607.db2.gz HXUWRCUUWRBJBX-IJLUTSLNSA-N -1 0 350.423 -0.944 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CCN(C(=O)C4CS(=O)(=O)C4)C[C@H]32)c1[O-] ZINC000971826902 657471171 /nfs/dbraw/zinc/47/11/71/657471171.db2.gz NZMVSYGXTTYHSD-MWLCHTKSSA-N -1 0 368.415 -0.859 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@H]32)c1[O-] ZINC000971828235 657471313 /nfs/dbraw/zinc/47/13/13/657471313.db2.gz NCICFNSCGZQUQN-GMTAPVOTSA-N -1 0 370.431 -0.470 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CCN(C(=O)[C@H](C)S(C)(=O)=O)C[C@H]32)c1[O-] ZINC000971828236 657471187 /nfs/dbraw/zinc/47/11/87/657471187.db2.gz NCICFNSCGZQUQN-HBNTYKKESA-N -1 0 370.431 -0.470 20 0 FBADRM CC[C@@H](SC)C(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000971828951 657472176 /nfs/dbraw/zinc/47/21/76/657472176.db2.gz UBZXBHBOAPYMGH-GMTAPVOTSA-N -1 0 369.447 -0.110 20 0 FBADRM CC[C@H](SC)C(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000971828952 657471916 /nfs/dbraw/zinc/47/19/16/657471916.db2.gz UBZXBHBOAPYMGH-MXWKQRLJSA-N -1 0 369.447 -0.110 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CCN(C(=O)CS(C)(=O)=O)C[C@H]32)c1[O-] ZINC000971838548 657476516 /nfs/dbraw/zinc/47/65/16/657476516.db2.gz WWCGZWFJCBLYNB-NXEZZACHSA-N -1 0 356.404 -0.859 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4COCCO4)C[C@H]32)c1[O-] ZINC000971838645 657476461 /nfs/dbraw/zinc/47/64/61/657476461.db2.gz ZXILRACFLAFDNR-IJLUTSLNSA-N -1 0 350.375 -0.488 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4COCCO4)C[C@H]32)c1[O-] ZINC000971838646 657476564 /nfs/dbraw/zinc/47/65/64/657476564.db2.gz ZXILRACFLAFDNR-UTUOFQBUSA-N -1 0 350.375 -0.488 20 0 FBADRM CC(C)(O)CC(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000971967803 657503182 /nfs/dbraw/zinc/50/31/82/657503182.db2.gz XRPRGQOBLFURDG-RKDXNWHRSA-N -1 0 351.363 -0.883 20 0 FBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000971998597 657506021 /nfs/dbraw/zinc/50/60/21/657506021.db2.gz UDSJVPSCOANDNS-KZVDOYCCSA-N -1 0 351.407 -0.406 20 0 FBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000971998598 657506496 /nfs/dbraw/zinc/50/64/96/657506496.db2.gz UDSJVPSCOANDNS-ZJQBRPOHSA-N -1 0 351.407 -0.406 20 0 FBADRM O=C([C@H]1CC1(F)F)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000972046670 657510371 /nfs/dbraw/zinc/51/03/71/657510371.db2.gz VWQBLJSUYPNEER-BWZBUEFSSA-N -1 0 355.301 -0.389 20 0 FBADRM O=C([C@@H]1CC1(F)F)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000972046676 657510194 /nfs/dbraw/zinc/51/01/94/657510194.db2.gz VWQBLJSUYPNEER-GJMOJQLCSA-N -1 0 355.301 -0.389 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC3(F)F)[C@@H]2C1 ZINC000972048972 657511224 /nfs/dbraw/zinc/51/12/24/657511224.db2.gz UXDCSXNAWMKWRU-HRDYMLBCSA-N -1 0 357.317 -0.596 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC3(F)F)[C@@H]2C1 ZINC000972048973 657511685 /nfs/dbraw/zinc/51/16/85/657511685.db2.gz UXDCSXNAWMKWRU-IWSPIJDZSA-N -1 0 357.317 -0.596 20 0 FBADRM O=C(c1c[n-]n2c1nccc2=O)N1C[C@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC000972213971 657531401 /nfs/dbraw/zinc/53/14/01/657531401.db2.gz AEXZZHICCCUOQX-PSASIEDQSA-N -1 0 351.313 -0.039 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]3CN(C(=O)C4CS(=O)(=O)C4)[C@@H]3C2)c1[O-] ZINC000972324343 657545731 /nfs/dbraw/zinc/54/57/31/657545731.db2.gz YBSSPGZPSVHQTE-MWLCHTKSSA-N -1 0 368.415 -0.859 20 0 FBADRM O=C(c1ccns1)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000972500200 657636136 /nfs/dbraw/zinc/63/61/36/657636136.db2.gz OOXGOSYUMCFYQN-HTQZYQBOSA-N -1 0 362.371 -0.274 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H]2CN(C(=O)c3ccns3)[C@@H]2C1 ZINC000972503935 657640720 /nfs/dbraw/zinc/64/07/20/657640720.db2.gz UARRULYJYPYYOK-RKDXNWHRSA-N -1 0 364.387 -0.481 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@]2(C1)CN(Cc1n[nH]c(=O)[n-]1)CCO2 ZINC000972555864 657783679 /nfs/dbraw/zinc/78/36/79/657783679.db2.gz ADIFFTHBXQWSAD-FFSVYQOJSA-N -1 0 351.407 -0.261 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@]2(C1)CN(Cc1n[nH]c(=O)[n-]1)CCO2 ZINC000972555868 657783312 /nfs/dbraw/zinc/78/33/12/657783312.db2.gz ADIFFTHBXQWSAD-PVXIVEMSSA-N -1 0 351.407 -0.261 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@@]3(C2)CN(Cc2n[nH]c(=O)[n-]2)CCO3)O1 ZINC000972563314 657801760 /nfs/dbraw/zinc/80/17/60/657801760.db2.gz QKHTYUSAOPIPPB-HSMVNMDESA-N -1 0 351.407 -0.119 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@]3(C2)CN(Cc2n[nH]c(=O)[n-]2)CCO3)O1 ZINC000972563315 657801603 /nfs/dbraw/zinc/80/16/03/657801603.db2.gz QKHTYUSAOPIPPB-XHBSWPGZSA-N -1 0 351.407 -0.119 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H]2CN(C(=O)c3ccsn3)[C@@H]2C1 ZINC000972803190 658046080 /nfs/dbraw/zinc/04/60/80/658046080.db2.gz CJVSUZPZYCCHOT-PSASIEDQSA-N -1 0 364.387 -0.481 20 0 FBADRM O=C(c1ccsn1)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000972804346 658045928 /nfs/dbraw/zinc/04/59/28/658045928.db2.gz SELJWYKTHHXGJW-VXNVDRBHSA-N -1 0 362.371 -0.274 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)c1[O-] ZINC000973179605 658436715 /nfs/dbraw/zinc/43/67/15/658436715.db2.gz WRLBVCNOHUTHJG-HJQYOEGKSA-N -1 0 351.407 -0.480 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000973413098 658483804 /nfs/dbraw/zinc/48/38/04/658483804.db2.gz AXVOJGFOBUDTEE-CDLYGTGVSA-N -1 0 351.363 -0.525 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973413694 658483786 /nfs/dbraw/zinc/48/37/86/658483786.db2.gz NLKZMVWVJLVYAR-BFLSOPEQSA-N -1 0 353.379 -0.732 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000973476485 658495275 /nfs/dbraw/zinc/49/52/75/658495275.db2.gz DRAQUWPLBGKEAK-KYXWUPHJSA-N -1 0 351.363 -0.525 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973490953 658497906 /nfs/dbraw/zinc/49/79/06/658497906.db2.gz BFIPPMLGZKAQIF-DBIOUOCHSA-N -1 0 353.379 -0.732 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000973491085 658497816 /nfs/dbraw/zinc/49/78/16/658497816.db2.gz KOJAZMKSXNBQAS-ILAIQSSSSA-N -1 0 351.363 -0.980 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000973492869 658498841 /nfs/dbraw/zinc/49/88/41/658498841.db2.gz TZUGRIACFUIWGY-BFLSOPEQSA-N -1 0 350.375 -0.712 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3cnc([O-])n(C)c3=O)C2)O1 ZINC000973492904 658498987 /nfs/dbraw/zinc/49/89/87/658498987.db2.gz XAYXGJZOIAPPRD-DNRKLUKYSA-N -1 0 350.375 -0.570 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)c1[O-] ZINC000974033628 658661487 /nfs/dbraw/zinc/66/14/87/658661487.db2.gz WRLBVCNOHUTHJG-KXGXSXBTSA-N -1 0 351.407 -0.480 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000974266193 658673570 /nfs/dbraw/zinc/67/35/70/658673570.db2.gz AXVOJGFOBUDTEE-REIXXSIJSA-N -1 0 351.363 -0.525 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000974266562 658674904 /nfs/dbraw/zinc/67/49/04/658674904.db2.gz NLKZMVWVJLVYAR-SVDPJWKOSA-N -1 0 353.379 -0.732 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000974335865 658681286 /nfs/dbraw/zinc/68/12/86/658681286.db2.gz DRAQUWPLBGKEAK-RGOKHQFPSA-N -1 0 351.363 -0.525 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000974347992 658681353 /nfs/dbraw/zinc/68/13/53/658681353.db2.gz BFIPPMLGZKAQIF-YTWAJWBKSA-N -1 0 353.379 -0.732 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000974348179 658681307 /nfs/dbraw/zinc/68/13/07/658681307.db2.gz KOJAZMKSXNBQAS-QGKZMRNZSA-N -1 0 351.363 -0.980 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000974351419 658682318 /nfs/dbraw/zinc/68/23/18/658682318.db2.gz TZUGRIACFUIWGY-SVDPJWKOSA-N -1 0 350.375 -0.712 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3cnc([O-])n(C)c3=O)C2)O1 ZINC000974351444 658681899 /nfs/dbraw/zinc/68/18/99/658681899.db2.gz XAYXGJZOIAPPRD-MWGHHZFTSA-N -1 0 350.375 -0.570 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](C)S(C)(=O)=O)[C@@H]3C2)c1[O-] ZINC000974468331 658697169 /nfs/dbraw/zinc/69/71/69/658697169.db2.gz ZWKUWUBYZFFLBH-GMTAPVOTSA-N -1 0 370.431 -0.470 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](C)S(C)(=O)=O)[C@@H]3C2)c1[O-] ZINC000974468334 658696962 /nfs/dbraw/zinc/69/69/62/658696962.db2.gz ZWKUWUBYZFFLBH-HBNTYKKESA-N -1 0 370.431 -0.470 20 0 FBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N1C[C@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC000974484307 658699601 /nfs/dbraw/zinc/69/96/01/658699601.db2.gz DENUTEPKTXIRQH-VXNVDRBHSA-N -1 0 357.317 -0.460 20 0 FBADRM CSCC(=O)N1CC[C@@H]2CN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000974486658 658699696 /nfs/dbraw/zinc/69/96/96/658699696.db2.gz XVZQAWSNLPJSBC-MWLCHTKSSA-N -1 0 367.431 -0.362 20 0 FBADRM C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CC2(C)C)C1 ZINC000974599105 658708048 /nfs/dbraw/zinc/70/80/48/658708048.db2.gz XDRMEBBCEVEXNX-GMTAPVOTSA-N -1 0 350.423 -0.248 20 0 FBADRM C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2CN(Cc3n[nH]c(=O)[n-]3)CC2(C)C)C1 ZINC000974599110 658707908 /nfs/dbraw/zinc/70/79/08/658707908.db2.gz XDRMEBBCEVEXNX-MXWKQRLJSA-N -1 0 350.423 -0.248 20 0 FBADRM O=C(c1csnn1)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000974602397 658706836 /nfs/dbraw/zinc/70/68/36/658706836.db2.gz HBTVVHHVQRMFKD-HTRCEHHLSA-N -1 0 363.359 -0.879 20 0 FBADRM O=C(c1cnsn1)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000974629726 658708847 /nfs/dbraw/zinc/70/88/47/658708847.db2.gz GUPRWZCDMIGFOO-HTRCEHHLSA-N -1 0 363.359 -0.879 20 0 FBADRM O=C(CC(F)(F)F)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000974630388 658708716 /nfs/dbraw/zinc/70/87/16/658708716.db2.gz LSIHDOQTEXPRBK-RNFRBKRXSA-N -1 0 361.280 -0.092 20 0 FBADRM CS[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000974630913 658708824 /nfs/dbraw/zinc/70/88/24/658708824.db2.gz OLGAGEBQIYHEEI-DJLDLDEBSA-N -1 0 353.404 -0.293 20 0 FBADRM CS[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000974630917 658708855 /nfs/dbraw/zinc/70/88/55/658708855.db2.gz OLGAGEBQIYHEEI-IWSPIJDZSA-N -1 0 353.404 -0.293 20 0 FBADRM CC[C@H](OC)C(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000974630999 658708811 /nfs/dbraw/zinc/70/88/11/658708811.db2.gz QPQXBZNUFWJMCA-BBBLOLIVSA-N -1 0 351.363 -0.619 20 0 FBADRM CC[C@@H](OC)C(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000974631002 658708619 /nfs/dbraw/zinc/70/86/19/658708619.db2.gz QPQXBZNUFWJMCA-OPRDCNLKSA-N -1 0 351.363 -0.619 20 0 FBADRM O=C(c1cnns1)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000974631552 658708708 /nfs/dbraw/zinc/70/87/08/658708708.db2.gz TWWQTKXZHDHFGC-RNFRBKRXSA-N -1 0 363.359 -0.879 20 0 FBADRM O=C(c1cscn1)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000974631604 658708535 /nfs/dbraw/zinc/70/85/35/658708535.db2.gz UQYBRZSVGKPPCI-VXNVDRBHSA-N -1 0 362.371 -0.274 20 0 FBADRM O=C(c1cncs1)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000974632125 658708791 /nfs/dbraw/zinc/70/87/91/658708791.db2.gz XTPLFIPBDOJETA-HTQZYQBOSA-N -1 0 362.371 -0.274 20 0 FBADRM O=C(c1nccs1)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000974632214 658708798 /nfs/dbraw/zinc/70/87/98/658708798.db2.gz AAYSEOLIXXBVLS-HTQZYQBOSA-N -1 0 362.371 -0.274 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@H]2CCN(C(=O)[C@H]3CC3(F)F)C[C@H]21 ZINC000974633626 658709345 /nfs/dbraw/zinc/70/93/45/658709345.db2.gz FUPSXQCQFZDZCH-BWZBUEFSSA-N -1 0 355.301 -0.389 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC3(F)F)C[C@H]21 ZINC000974633634 658709457 /nfs/dbraw/zinc/70/94/57/658709457.db2.gz FUPSXQCQFZDZCH-GJMOJQLCSA-N -1 0 355.301 -0.389 20 0 FBADRM O=C(c1csnn1)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000974635855 658709450 /nfs/dbraw/zinc/70/94/50/658709450.db2.gz JRCMVJLNYUNLQQ-HTRCEHHLSA-N -1 0 363.359 -0.879 20 0 FBADRM CC(C)(O)CC(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000974635941 658709422 /nfs/dbraw/zinc/70/94/22/658709422.db2.gz KXTZVIQPLMOWAC-RKDXNWHRSA-N -1 0 351.363 -0.883 20 0 FBADRM O=C(c1ccsn1)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000974636675 658709478 /nfs/dbraw/zinc/70/94/78/658709478.db2.gz PPFVSJIYLVHSCN-VXNVDRBHSA-N -1 0 362.371 -0.274 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@H]2CCN(C(=O)C3(CF)CC3)C[C@H]21 ZINC000974636731 658709316 /nfs/dbraw/zinc/70/93/16/658709316.db2.gz QYQVHGJKJGTTNT-RKDXNWHRSA-N -1 0 351.338 -0.295 20 0 FBADRM CC(C)[C@H](F)C(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000974637261 658709188 /nfs/dbraw/zinc/70/91/88/658709188.db2.gz TXFZRTHHYSHWIX-BBBLOLIVSA-N -1 0 353.354 -0.050 20 0 FBADRM CC(C)[C@@H](F)C(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000974637264 658710072 /nfs/dbraw/zinc/71/00/72/658710072.db2.gz TXFZRTHHYSHWIX-OPRDCNLKSA-N -1 0 353.354 -0.050 20 0 FBADRM O=C(c1ccns1)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000974637283 658709999 /nfs/dbraw/zinc/70/99/99/658709999.db2.gz UBIYXKXUXZZRSV-HTQZYQBOSA-N -1 0 362.371 -0.274 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1CN(Cc2nc(=O)n(C)[nH]2)CC1(C)C ZINC000974695388 658710862 /nfs/dbraw/zinc/71/08/62/658710862.db2.gz XWPAVCQTUIJHQJ-GVXVVHGQSA-N -1 0 353.423 -0.761 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)CC1(C)C ZINC000974695391 658710887 /nfs/dbraw/zinc/71/08/87/658710887.db2.gz XWPAVCQTUIJHQJ-LOWVWBTDSA-N -1 0 353.423 -0.761 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CCN(C(=O)c3nccs3)C[C@H]21 ZINC000974700104 658711465 /nfs/dbraw/zinc/71/14/65/658711465.db2.gz BKFOHLNKWXZCRI-RKDXNWHRSA-N -1 0 364.387 -0.481 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CCN(C(=O)C3(CF)CC3)C[C@H]21 ZINC000974701966 658711645 /nfs/dbraw/zinc/71/16/45/658711645.db2.gz IDSJZQDXRHJFOO-NXEZZACHSA-N -1 0 353.354 -0.502 20 0 FBADRM CC(C)[C@@H](F)C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000974701984 658711503 /nfs/dbraw/zinc/71/15/03/658711503.db2.gz IMLNSVVBYAXHBK-CKYFFXLPSA-N -1 0 355.370 -0.257 20 0 FBADRM CC(C)[C@H](F)C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000974701985 658711740 /nfs/dbraw/zinc/71/17/40/658711740.db2.gz IMLNSVVBYAXHBK-FOGDFJRCSA-N -1 0 355.370 -0.257 20 0 FBADRM CC[C@@H](OC)C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000974702035 658711543 /nfs/dbraw/zinc/71/15/43/658711543.db2.gz KBVVBGAMXIUGNT-GMTAPVOTSA-N -1 0 353.379 -0.826 20 0 FBADRM CC[C@H](OC)C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000974702036 658711438 /nfs/dbraw/zinc/71/14/38/658711438.db2.gz KBVVBGAMXIUGNT-MXWKQRLJSA-N -1 0 353.379 -0.826 20 0 FBADRM CC(F)(F)CC(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000974703052 658711454 /nfs/dbraw/zinc/71/14/54/658711454.db2.gz MCJYMPOEGNUNGT-RKDXNWHRSA-N -1 0 359.333 -0.206 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CCN(C(=O)c3ccsn3)C[C@H]21 ZINC000974703123 658711601 /nfs/dbraw/zinc/71/16/01/658711601.db2.gz NWPUDPLGXUYQNU-PSASIEDQSA-N -1 0 364.387 -0.481 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC3(F)F)C[C@H]21 ZINC000974703872 658711702 /nfs/dbraw/zinc/71/17/02/658711702.db2.gz OPKBCMGZWGCYOT-HRDYMLBCSA-N -1 0 357.317 -0.596 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CCN(C(=O)[C@H]3CC3(F)F)C[C@H]21 ZINC000974703873 658711510 /nfs/dbraw/zinc/71/15/10/658711510.db2.gz OPKBCMGZWGCYOT-IWSPIJDZSA-N -1 0 357.317 -0.596 20 0 FBADRM CC[C@@H](SC)C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000974703924 658711667 /nfs/dbraw/zinc/71/16/67/658711667.db2.gz PSSQPETXBJFFRP-GMTAPVOTSA-N -1 0 369.447 -0.110 20 0 FBADRM CC[C@H](SC)C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000974703926 658711484 /nfs/dbraw/zinc/71/14/84/658711484.db2.gz PSSQPETXBJFFRP-MXWKQRLJSA-N -1 0 369.447 -0.110 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CCN(C(=O)c3ccns3)C[C@H]21 ZINC000974703942 658711446 /nfs/dbraw/zinc/71/14/46/658711446.db2.gz PWWKSGTXJOTZDT-RKDXNWHRSA-N -1 0 364.387 -0.481 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CCN(C(=O)c3cscn3)C[C@H]21 ZINC000974704066 658711745 /nfs/dbraw/zinc/71/17/45/658711745.db2.gz RZEULQGKDGLDQK-PSASIEDQSA-N -1 0 364.387 -0.481 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CCN(C(=O)c3cncs3)C[C@H]21 ZINC000974704995 658711637 /nfs/dbraw/zinc/71/16/37/658711637.db2.gz UFCIKWPQMUXXRY-RKDXNWHRSA-N -1 0 364.387 -0.481 20 0 FBADRM CS[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000974705481 658712196 /nfs/dbraw/zinc/71/21/96/658712196.db2.gz XXGLWXWAILTYRV-IVZWLZJFSA-N -1 0 355.420 -0.500 20 0 FBADRM CS[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000974705482 658712389 /nfs/dbraw/zinc/71/23/89/658712389.db2.gz XXGLWXWAILTYRV-OPRDCNLKSA-N -1 0 355.420 -0.500 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CCN(C(=O)CC(F)(F)F)C[C@H]21 ZINC000974705556 658712462 /nfs/dbraw/zinc/71/24/62/658712462.db2.gz YNYSLXIWUPQYQM-HTQZYQBOSA-N -1 0 363.296 -0.299 20 0 FBADRM CC[C@H](F)C(=O)N1CC[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC000974712694 658711631 /nfs/dbraw/zinc/71/16/31/658711631.db2.gz KNVAFEOJTLZCQH-ADEWGFFLSA-N -1 0 352.366 -0.093 20 0 FBADRM CC[C@@H](F)C(=O)N1CC[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC000974712704 658711672 /nfs/dbraw/zinc/71/16/72/658711672.db2.gz KNVAFEOJTLZCQH-YUSALJHKSA-N -1 0 352.366 -0.093 20 0 FBADRM CSCC(=O)N1CC[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC000974713805 658712521 /nfs/dbraw/zinc/71/25/21/658712521.db2.gz LANZNCAVSFDCCB-MWLCHTKSSA-N -1 0 352.416 -0.478 20 0 FBADRM CS[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC000974716123 658712504 /nfs/dbraw/zinc/71/25/04/658712504.db2.gz VMZRGEGYDQQQQX-CKYFFXLPSA-N -1 0 366.443 -0.090 20 0 FBADRM CS[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC000974716125 658712242 /nfs/dbraw/zinc/71/22/42/658712242.db2.gz VMZRGEGYDQQQQX-HOSYDEDBSA-N -1 0 366.443 -0.090 20 0 FBADRM CO[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC000974718483 658712097 /nfs/dbraw/zinc/71/20/97/658712097.db2.gz GCDDSXFEXBDDAF-CKYFFXLPSA-N -1 0 350.375 -0.806 20 0 FBADRM CO[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC000974718487 658713013 /nfs/dbraw/zinc/71/30/13/658713013.db2.gz GCDDSXFEXBDDAF-HOSYDEDBSA-N -1 0 350.375 -0.806 20 0 FBADRM C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CC2(C)C)O1 ZINC000974723210 658713231 /nfs/dbraw/zinc/71/32/31/658713231.db2.gz ILJKWJWUAYFISE-IJLUTSLNSA-N -1 0 352.439 -0.444 20 0 FBADRM C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CN(Cc3n[nH]c(=O)[n-]3)CC2(C)C)O1 ZINC000974723212 658713048 /nfs/dbraw/zinc/71/30/48/658713048.db2.gz ILJKWJWUAYFISE-UTUOFQBUSA-N -1 0 352.439 -0.444 20 0 FBADRM CC[C@H](F)C(=O)N1C[C@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC000974816611 658717173 /nfs/dbraw/zinc/71/71/73/658717173.db2.gz PROWJALLFZOGEJ-ADEWGFFLSA-N -1 0 352.366 -0.093 20 0 FBADRM CC[C@@H](F)C(=O)N1C[C@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC000974816615 658717036 /nfs/dbraw/zinc/71/70/36/658717036.db2.gz PROWJALLFZOGEJ-YUSALJHKSA-N -1 0 352.366 -0.093 20 0 FBADRM CC(C)[C@H](F)C(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000974830967 658717780 /nfs/dbraw/zinc/71/77/80/658717780.db2.gz RADVNWBAERXCBU-BBBLOLIVSA-N -1 0 353.354 -0.050 20 0 FBADRM CC(C)[C@@H](F)C(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000974830968 658718163 /nfs/dbraw/zinc/71/81/63/658718163.db2.gz RADVNWBAERXCBU-OPRDCNLKSA-N -1 0 353.354 -0.050 20 0 FBADRM CC(C)[C@@H](F)C(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000974832618 658718361 /nfs/dbraw/zinc/71/83/61/658718361.db2.gz VYVCKIKYIXSHON-CKYFFXLPSA-N -1 0 355.370 -0.257 20 0 FBADRM CC(C)[C@H](F)C(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000974832624 658718271 /nfs/dbraw/zinc/71/82/71/658718271.db2.gz VYVCKIKYIXSHON-FOGDFJRCSA-N -1 0 355.370 -0.257 20 0 FBADRM O=C(c1nccs1)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000974898582 658721264 /nfs/dbraw/zinc/72/12/64/658721264.db2.gz PIWTZQROITUOAK-HTQZYQBOSA-N -1 0 362.371 -0.274 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H]2CN(C(=O)c3nccs3)[C@@H]2C1 ZINC000974898770 658720964 /nfs/dbraw/zinc/72/09/64/658720964.db2.gz RJZKVPCPNGNPSI-RKDXNWHRSA-N -1 0 364.387 -0.481 20 0 FBADRM CC(F)(F)CC(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000975034207 658728273 /nfs/dbraw/zinc/72/82/73/658728273.db2.gz FFCVURAHJZBUJR-RKDXNWHRSA-N -1 0 359.333 -0.206 20 0 FBADRM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC000975039424 658726497 /nfs/dbraw/zinc/72/64/97/658726497.db2.gz PKLXCFXGYXYDBB-AXFHLTTASA-N -1 0 350.423 -0.439 20 0 FBADRM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC000975039429 658726537 /nfs/dbraw/zinc/72/65/37/658726537.db2.gz PKLXCFXGYXYDBB-HBNTYKKESA-N -1 0 350.423 -0.439 20 0 FBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC000975052498 658728948 /nfs/dbraw/zinc/72/89/48/658728948.db2.gz ZCJSTFLKYPAVNI-OUAUKWLOSA-N -1 0 350.423 -0.262 20 0 FBADRM CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC000975052499 658728690 /nfs/dbraw/zinc/72/86/90/658728690.db2.gz ZCJSTFLKYPAVNI-VWYCJHECSA-N -1 0 350.423 -0.262 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H]2CN(C(=O)C3(CF)CC3)[C@@H]2C1 ZINC000975070786 658728838 /nfs/dbraw/zinc/72/88/38/658728838.db2.gz HNEZAIJYSSQEHE-NXEZZACHSA-N -1 0 353.354 -0.502 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@@H]2CN(C(=O)C3(CF)CC3)[C@@H]2C1 ZINC000975073241 658728853 /nfs/dbraw/zinc/72/88/53/658728853.db2.gz URADERJTKLONNJ-RKDXNWHRSA-N -1 0 351.338 -0.295 20 0 FBADRM CC(C)(F)C(=O)N1CC[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000975461579 658737599 /nfs/dbraw/zinc/73/75/99/658737599.db2.gz NBEWGBCQPULQIR-UWVGGRQHSA-N -1 0 355.370 -0.113 20 0 FBADRM CC(F)(F)C(=O)N1CC[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000975468090 658737604 /nfs/dbraw/zinc/73/76/04/658737604.db2.gz RDPYQXZTUZQLJN-IUCAKERBSA-N -1 0 359.333 -0.206 20 0 FBADRM COCC(=O)N1CC[C@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)[C@H]2C1 ZINC000975470638 658738294 /nfs/dbraw/zinc/73/82/94/658738294.db2.gz QRHNKGRNDWCPEV-JQWIXIFHSA-N -1 0 350.375 -0.805 20 0 FBADRM CSCC(=O)N1CC[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000975534533 658738951 /nfs/dbraw/zinc/73/89/51/658738951.db2.gz MKTVTWSUBWXLJD-UWVGGRQHSA-N -1 0 355.420 -0.498 20 0 FBADRM CSCC(=O)N1CC[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC000975535318 658738818 /nfs/dbraw/zinc/73/88/18/658738818.db2.gz PULLMEMGCHBSRB-IUCAKERBSA-N -1 0 353.404 -0.291 20 0 FBADRM CSCC(=O)N1CC[C@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)[C@H]2C1 ZINC000975555023 658739957 /nfs/dbraw/zinc/73/99/57/658739957.db2.gz WCUXGYZMMPYECA-JQWIXIFHSA-N -1 0 366.443 -0.088 20 0 FBADRM CS[C@@H](C)C(=O)N1CC[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000975591767 658741436 /nfs/dbraw/zinc/74/14/36/658741436.db2.gz XBDKXWGJZDZYDD-DCAQKATOSA-N -1 0 369.447 -0.110 20 0 FBADRM CS[C@H](C)C(=O)N1CC[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000975591812 658741395 /nfs/dbraw/zinc/74/13/95/658741395.db2.gz XBDKXWGJZDZYDD-VWYCJHECSA-N -1 0 369.447 -0.110 20 0 FBADRM CO[C@@H](C)C(=O)N1CC[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000975604991 658742615 /nfs/dbraw/zinc/74/26/15/658742615.db2.gz FWIAFHBZAFUXDO-DCAQKATOSA-N -1 0 353.379 -0.826 20 0 FBADRM CO[C@H](C)C(=O)N1CC[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000975604992 658742684 /nfs/dbraw/zinc/74/26/84/658742684.db2.gz FWIAFHBZAFUXDO-VWYCJHECSA-N -1 0 353.379 -0.826 20 0 FBADRM CO[C@@H](C)C(=O)N1CC[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC000975605473 658742624 /nfs/dbraw/zinc/74/26/24/658742624.db2.gz LJHFDVRWYIULOF-GUBZILKMSA-N -1 0 351.363 -0.619 20 0 FBADRM CO[C@H](C)C(=O)N1CC[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC000975605480 658742673 /nfs/dbraw/zinc/74/26/73/658742673.db2.gz LJHFDVRWYIULOF-UTLUCORTSA-N -1 0 351.363 -0.619 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]3CCN(C(=O)CS(C)(=O)=O)C[C@@H]32)c1[O-] ZINC000975608268 658744566 /nfs/dbraw/zinc/74/45/66/658744566.db2.gz ZNQODMQKGQQCAN-QWRGUYRKSA-N -1 0 370.431 -0.469 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3CCN(C(=O)CS(C)(=O)=O)[C@H]3C2)c1[O-] ZINC000975661628 658747224 /nfs/dbraw/zinc/74/72/24/658747224.db2.gz DNBUPWGORXDXKI-QWRGUYRKSA-N -1 0 370.431 -0.469 20 0 FBADRM CO[C@@H](C)C(=O)N1CC[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC000975827464 658756810 /nfs/dbraw/zinc/75/68/10/658756810.db2.gz HJPIULNYNDPWNB-GUBZILKMSA-N -1 0 351.363 -0.619 20 0 FBADRM CO[C@H](C)C(=O)N1CC[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC000975827465 658756900 /nfs/dbraw/zinc/75/69/00/658756900.db2.gz HJPIULNYNDPWNB-UTLUCORTSA-N -1 0 351.363 -0.619 20 0 FBADRM CSCC(=O)N1CC[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC000975828032 658757374 /nfs/dbraw/zinc/75/73/74/658757374.db2.gz VBNXOMGGPOFKPD-IUCAKERBSA-N -1 0 353.404 -0.291 20 0 FBADRM CC(F)(F)C(=O)N1CC[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC000975838226 658757367 /nfs/dbraw/zinc/75/73/67/658757367.db2.gz PLFGOWUKAMIGID-IUCAKERBSA-N -1 0 359.333 -0.206 20 0 FBADRM CSCC(=O)N1CC[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC000975838619 658757677 /nfs/dbraw/zinc/75/76/77/658757677.db2.gz RUTZGHYDXOHWOG-UWVGGRQHSA-N -1 0 355.420 -0.498 20 0 FBADRM CC(C)(F)C(=O)N1CC[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC000975839537 658757506 /nfs/dbraw/zinc/75/75/06/658757506.db2.gz YKKQJPJKOGAKQK-UWVGGRQHSA-N -1 0 355.370 -0.113 20 0 FBADRM CS[C@@H](C)C(=O)N1CC[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC000975839802 658757664 /nfs/dbraw/zinc/75/76/64/658757664.db2.gz CXQZRNXZKITNSL-DCAQKATOSA-N -1 0 369.447 -0.110 20 0 FBADRM CS[C@H](C)C(=O)N1CC[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC000975839807 658757300 /nfs/dbraw/zinc/75/73/00/658757300.db2.gz CXQZRNXZKITNSL-VWYCJHECSA-N -1 0 369.447 -0.110 20 0 FBADRM CO[C@@H](C)C(=O)N1CC[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC000975840341 658757593 /nfs/dbraw/zinc/75/75/93/658757593.db2.gz FGPMITOUESHUNY-DCAQKATOSA-N -1 0 353.379 -0.826 20 0 FBADRM CO[C@H](C)C(=O)N1CC[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC000975840346 658757517 /nfs/dbraw/zinc/75/75/17/658757517.db2.gz FGPMITOUESHUNY-VWYCJHECSA-N -1 0 353.379 -0.826 20 0 FBADRM CC[C@@H](F)C(=O)N1CC[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC000975843867 658758148 /nfs/dbraw/zinc/75/81/48/658758148.db2.gz UJWDEENERIZEJH-AXFHLTTASA-N -1 0 355.370 -0.113 20 0 FBADRM CC[C@H](F)C(=O)N1CC[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC000975843868 658758220 /nfs/dbraw/zinc/75/82/20/658758220.db2.gz UJWDEENERIZEJH-DCAQKATOSA-N -1 0 355.370 -0.113 20 0 FBADRM CSCC(=O)N1CC[C@@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C[C@@H]21 ZINC000975847132 658757632 /nfs/dbraw/zinc/75/76/32/658757632.db2.gz CRMOORTZYOPLTR-JQWIXIFHSA-N -1 0 366.443 -0.088 20 0 FBADRM COCC(=O)N1CC[C@@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C[C@@H]21 ZINC000975852381 658758279 /nfs/dbraw/zinc/75/82/79/658758279.db2.gz UNFFJCZMSUUYJT-JQWIXIFHSA-N -1 0 350.375 -0.805 20 0 FBADRM CC[C@@H](F)C(=O)N1CC[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000975878498 658758647 /nfs/dbraw/zinc/75/86/47/658758647.db2.gz ZCHVICXPCSXITC-AXFHLTTASA-N -1 0 355.370 -0.113 20 0 FBADRM CC[C@H](F)C(=O)N1CC[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000975878499 658758795 /nfs/dbraw/zinc/75/87/95/658758795.db2.gz ZCHVICXPCSXITC-DCAQKATOSA-N -1 0 355.370 -0.113 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCO1 ZINC000976220642 658765509 /nfs/dbraw/zinc/76/55/09/658765509.db2.gz SIGMETZKLQGTBL-GMTAPVOTSA-N -1 0 353.379 -0.588 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCO1 ZINC000976220647 658765768 /nfs/dbraw/zinc/76/57/68/658765768.db2.gz SIGMETZKLQGTBL-MXWKQRLJSA-N -1 0 353.379 -0.588 20 0 FBADRM O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCO1)c1n[nH]c(=O)[n-]c1=O ZINC000976223824 658766548 /nfs/dbraw/zinc/76/65/48/658766548.db2.gz MVAAJXGPUVNYRZ-BBBLOLIVSA-N -1 0 351.363 -0.381 20 0 FBADRM O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCO1)c1n[nH]c(=O)[n-]c1=O ZINC000976223826 658766256 /nfs/dbraw/zinc/76/62/56/658766256.db2.gz MVAAJXGPUVNYRZ-OPRDCNLKSA-N -1 0 351.363 -0.381 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2COCCO2)c1[O-] ZINC000976317814 658767948 /nfs/dbraw/zinc/76/79/48/658767948.db2.gz JONQVXSPUANLEW-IJLUTSLNSA-N -1 0 352.391 -0.004 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2COCCO2)c1[O-] ZINC000976317817 658768024 /nfs/dbraw/zinc/76/80/24/658768024.db2.gz JONQVXSPUANLEW-UTUOFQBUSA-N -1 0 352.391 -0.004 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccon1 ZINC000976327344 658769262 /nfs/dbraw/zinc/76/92/62/658769262.db2.gz IGOSKRGQYUWRBL-RKDXNWHRSA-N -1 0 350.335 -0.465 20 0 FBADRM O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O)c1cnsn1 ZINC000976327590 658769475 /nfs/dbraw/zinc/76/94/75/658769475.db2.gz ZPTJPQPVARYQMJ-RNFRBKRXSA-N -1 0 365.375 -0.395 20 0 FBADRM O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O)c1cnns1 ZINC000976328764 658769618 /nfs/dbraw/zinc/76/96/18/658769618.db2.gz KNRIVNNARZAUDK-RNFRBKRXSA-N -1 0 365.375 -0.395 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnns1 ZINC000976329484 658769575 /nfs/dbraw/zinc/76/95/75/658769575.db2.gz NQGLMVBFUTZMRY-HTQZYQBOSA-N -1 0 367.391 -0.602 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnsn1 ZINC000976334936 658769553 /nfs/dbraw/zinc/76/95/53/658769553.db2.gz YQDJKNSHNZMQIJ-HTQZYQBOSA-N -1 0 367.391 -0.602 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4OCCO[C@H]4C)C[C@H]32)c1[O-] ZINC000976355103 658770372 /nfs/dbraw/zinc/77/03/72/658770372.db2.gz CEHFEOMBWAOYMP-MCSZRVDOSA-N -1 0 350.375 -0.586 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCOC1 ZINC000976385549 658770176 /nfs/dbraw/zinc/77/01/76/658770176.db2.gz TUKKTLZIWZPQDI-GMTAPVOTSA-N -1 0 353.379 -0.731 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCOC1 ZINC000976385551 658770262 /nfs/dbraw/zinc/77/02/62/658770262.db2.gz TUKKTLZIWZPQDI-HBNTYKKESA-N -1 0 353.379 -0.731 20 0 FBADRM O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCOC1)c1n[nH]c(=O)[n-]c1=O ZINC000976386131 658770128 /nfs/dbraw/zinc/77/01/28/658770128.db2.gz TWOCIMKSOROZLI-IVZWLZJFSA-N -1 0 351.363 -0.524 20 0 FBADRM O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCOC1)c1n[nH]c(=O)[n-]c1=O ZINC000976386133 658770355 /nfs/dbraw/zinc/77/03/55/658770355.db2.gz TWOCIMKSOROZLI-OPRDCNLKSA-N -1 0 351.363 -0.524 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cocn1 ZINC000976402641 658770983 /nfs/dbraw/zinc/77/09/83/658770983.db2.gz UYFQHXZBXMHQRK-RKDXNWHRSA-N -1 0 350.335 -0.465 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CNC(=O)N2)c1[O-] ZINC000976525010 658774388 /nfs/dbraw/zinc/77/43/88/658774388.db2.gz GUJDDKYMZFLQIJ-BBBLOLIVSA-N -1 0 350.379 -0.738 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CNC(=O)N2)c1[O-] ZINC000976525011 658774453 /nfs/dbraw/zinc/77/44/53/658774453.db2.gz GUJDDKYMZFLQIJ-OPRDCNLKSA-N -1 0 350.379 -0.738 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2CS(=O)(=O)C2)c1[O-] ZINC000976527152 658774297 /nfs/dbraw/zinc/77/42/97/658774297.db2.gz ORPQARVZMUFXHC-GHMZBOCLSA-N -1 0 370.431 -0.374 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2COC(=O)N2)c1[O-] ZINC000976534507 658774612 /nfs/dbraw/zinc/77/46/12/658774612.db2.gz SUVNZFOUHURJNW-BBBLOLIVSA-N -1 0 351.363 -0.311 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2COC(=O)N2)c1[O-] ZINC000976534508 658774330 /nfs/dbraw/zinc/77/43/30/658774330.db2.gz SUVNZFOUHURJNW-OPRDCNLKSA-N -1 0 351.363 -0.311 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC1(F)F ZINC000976631963 658780508 /nfs/dbraw/zinc/78/05/08/658780508.db2.gz ZNWGBWVNHLJKKX-DJLDLDEBSA-N -1 0 359.333 -0.112 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC1(F)F ZINC000976631974 658780439 /nfs/dbraw/zinc/78/04/39/658780439.db2.gz ZNWGBWVNHLJKKX-IWSPIJDZSA-N -1 0 359.333 -0.112 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2OCCO[C@H]2C)c1[O-] ZINC000976740644 658785822 /nfs/dbraw/zinc/78/58/22/658785822.db2.gz RRXPOYNKEQSSRH-MCSZRVDOSA-N -1 0 350.375 -0.586 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCC[C@H]1NC(=O)c1csnn1 ZINC000976997714 658794328 /nfs/dbraw/zinc/79/43/28/658794328.db2.gz XIJLXCPKHOBBMK-HTQZYQBOSA-N -1 0 367.391 -0.602 20 0 FBADRM O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O)c1csnn1 ZINC000976997734 658794513 /nfs/dbraw/zinc/79/45/13/658794513.db2.gz YWRISROVHDNYNH-RNFRBKRXSA-N -1 0 365.375 -0.395 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnco1 ZINC000977005754 658794552 /nfs/dbraw/zinc/79/45/52/658794552.db2.gz LUEDOUWHVPAABM-RKDXNWHRSA-N -1 0 350.335 -0.465 20 0 FBADRM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@H]2OCCO[C@H]2C)c1[O-] ZINC000977573072 658802957 /nfs/dbraw/zinc/80/29/57/658802957.db2.gz QUMIXPFNSQRBCH-MJVIPROJSA-N -1 0 352.391 -0.099 20 0 FBADRM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@H]2OCCO[C@H]2C)c1[O-] ZINC000977573075 658802863 /nfs/dbraw/zinc/80/28/63/658802863.db2.gz QUMIXPFNSQRBCH-WDMOLILDSA-N -1 0 352.391 -0.099 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@H]2OCCO[C@H]2C)c1[O-] ZINC000977914619 658807601 /nfs/dbraw/zinc/80/76/01/658807601.db2.gz XVSXNLNLPHTTDG-MJVIPROJSA-N -1 0 352.391 -0.099 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@H]2OCCO[C@H]2C)c1[O-] ZINC000977914623 658806941 /nfs/dbraw/zinc/80/69/41/658806941.db2.gz XVSXNLNLPHTTDG-WDMOLILDSA-N -1 0 352.391 -0.099 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978068598 658811585 /nfs/dbraw/zinc/81/15/85/658811585.db2.gz FJLXOBFCTPXNIV-KKZNHRDASA-N -1 0 351.363 -0.619 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978068602 658811533 /nfs/dbraw/zinc/81/15/33/658811533.db2.gz FJLXOBFCTPXNIV-YWVKMMECSA-N -1 0 351.363 -0.619 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)O1 ZINC000978074076 658811520 /nfs/dbraw/zinc/81/15/20/658811520.db2.gz QGZFSJDZAGDJSE-KXUCPTDWSA-N -1 0 351.363 -0.477 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)O1 ZINC000978074077 658811144 /nfs/dbraw/zinc/81/11/44/658811144.db2.gz QGZFSJDZAGDJSE-OPRDCNLKSA-N -1 0 351.363 -0.477 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000978418908 658814219 /nfs/dbraw/zinc/81/42/19/658814219.db2.gz LJSBQMVMOQTCBT-FOGDFJRCSA-N -1 0 353.379 -0.826 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000978418912 658814275 /nfs/dbraw/zinc/81/42/75/658814275.db2.gz LJSBQMVMOQTCBT-SCVCMEIPSA-N -1 0 353.379 -0.826 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978421849 658815797 /nfs/dbraw/zinc/81/57/97/658815797.db2.gz TYPOSWQBYINTFV-KKZNHRDASA-N -1 0 351.363 -0.619 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000978421855 658816180 /nfs/dbraw/zinc/81/61/80/658816180.db2.gz TYPOSWQBYINTFV-YWVKMMECSA-N -1 0 351.363 -0.619 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)Cn2c(=O)[n-][nH]c2=O)O1 ZINC000978443238 658816283 /nfs/dbraw/zinc/81/62/83/658816283.db2.gz GHJVYYNAYZRMLM-GMTAPVOTSA-N -1 0 353.379 -0.684 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)Cn2c(=O)[n-][nH]c2=O)O1 ZINC000978443239 658815862 /nfs/dbraw/zinc/81/58/62/658815862.db2.gz GHJVYYNAYZRMLM-OUAUKWLOSA-N -1 0 353.379 -0.684 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)c2n[nH]c(=O)[n-]c2=O)O1 ZINC000978446242 658816107 /nfs/dbraw/zinc/81/61/07/658816107.db2.gz PJCOLYHLJSQWFZ-KXUCPTDWSA-N -1 0 351.363 -0.477 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)c2n[nH]c(=O)[n-]c2=O)O1 ZINC000978446243 658815810 /nfs/dbraw/zinc/81/58/10/658815810.db2.gz PJCOLYHLJSQWFZ-OPRDCNLKSA-N -1 0 351.363 -0.477 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000978727083 658819389 /nfs/dbraw/zinc/81/93/89/658819389.db2.gz ZLBCDBCKKQUTPD-DYNIEEOBSA-N -1 0 352.391 -0.148 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000978949846 658824697 /nfs/dbraw/zinc/82/46/97/658824697.db2.gz ISXLBIKAKPCVJS-DYNIEEOBSA-N -1 0 352.391 -0.148 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC000979060515 658827292 /nfs/dbraw/zinc/82/72/92/658827292.db2.gz ARQKAWQZWPXTCY-DOLQZWNJSA-N -1 0 351.363 -0.525 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000979066553 658827309 /nfs/dbraw/zinc/82/73/09/658827309.db2.gz RPKBPUAPPWGGKZ-REIXXSIJSA-N -1 0 351.363 -0.668 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000979328994 658832827 /nfs/dbraw/zinc/83/28/27/658832827.db2.gz CRPWCXDYFPZXEB-REIXXSIJSA-N -1 0 351.363 -0.668 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000979342795 658833659 /nfs/dbraw/zinc/83/36/59/658833659.db2.gz UZRVJQFMXZHVNP-SVDPJWKOSA-N -1 0 353.379 -0.875 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC000979343123 658833780 /nfs/dbraw/zinc/83/37/80/658833780.db2.gz KPXGXYYQKPJBIL-DOLQZWNJSA-N -1 0 351.363 -0.525 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)O1 ZINC000979345138 658833575 /nfs/dbraw/zinc/83/35/75/658833575.db2.gz JXAULTXVTJGFMW-CHWFTXMASA-N -1 0 353.379 -0.732 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000979649417 658836298 /nfs/dbraw/zinc/83/62/98/658836298.db2.gz ZLBCDBCKKQUTPD-RMIALFOJSA-N -1 0 352.391 -0.148 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000979970789 658843554 /nfs/dbraw/zinc/84/35/54/658843554.db2.gz ISXLBIKAKPCVJS-RMIALFOJSA-N -1 0 352.391 -0.148 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC000980065619 658845136 /nfs/dbraw/zinc/84/51/36/658845136.db2.gz ARQKAWQZWPXTCY-ZYUZMQFOSA-N -1 0 351.363 -0.525 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000980068799 658846192 /nfs/dbraw/zinc/84/61/92/658846192.db2.gz RPKBPUAPPWGGKZ-CDLYGTGVSA-N -1 0 351.363 -0.668 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000980564832 658853680 /nfs/dbraw/zinc/85/36/80/658853680.db2.gz CRPWCXDYFPZXEB-CDLYGTGVSA-N -1 0 351.363 -0.668 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000980571059 658854464 /nfs/dbraw/zinc/85/44/64/658854464.db2.gz UZRVJQFMXZHVNP-BFLSOPEQSA-N -1 0 353.379 -0.875 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)O1 ZINC000980611694 658856550 /nfs/dbraw/zinc/85/65/50/658856550.db2.gz JXAULTXVTJGFMW-GWOFURMSSA-N -1 0 353.379 -0.732 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC000980611711 658856683 /nfs/dbraw/zinc/85/66/83/658856683.db2.gz KPXGXYYQKPJBIL-ZYUZMQFOSA-N -1 0 351.363 -0.525 20 0 FBADRM O=C(N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCO2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000980868649 658860223 /nfs/dbraw/zinc/86/02/23/658860223.db2.gz UQOUBUFWBSPBGJ-AEJSXWLSSA-N -1 0 351.363 -0.524 20 0 FBADRM O=C(N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCCO2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000980868650 658860176 /nfs/dbraw/zinc/86/01/76/658860176.db2.gz UQOUBUFWBSPBGJ-IVZWLZJFSA-N -1 0 351.363 -0.524 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC000980868901 658860131 /nfs/dbraw/zinc/86/01/31/658860131.db2.gz YXBMWWURVBGWNZ-AXFHLTTASA-N -1 0 353.379 -0.731 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000980868902 658859950 /nfs/dbraw/zinc/85/99/50/658859950.db2.gz YXBMWWURVBGWNZ-HBNTYKKESA-N -1 0 353.379 -0.731 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3COCCO3)C2)c1[O-] ZINC000980949122 658860970 /nfs/dbraw/zinc/86/09/70/658860970.db2.gz GZBSUJXQSZBABK-QJPTWQEYSA-N -1 0 352.391 -0.146 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3COCCO3)C2)c1[O-] ZINC000980949124 658861175 /nfs/dbraw/zinc/86/11/75/658861175.db2.gz GZBSUJXQSZBABK-TUAOUCFPSA-N -1 0 352.391 -0.146 20 0 FBADRM O=C(NC[C@H]1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1cnns1 ZINC000980970656 658862990 /nfs/dbraw/zinc/86/29/90/658862990.db2.gz HZFDIXAXRIXKOO-NKWVEPMBSA-N -1 0 365.375 -0.537 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC[C@H](CNC(=O)c2cnns2)C1 ZINC000980971293 658863805 /nfs/dbraw/zinc/86/38/05/658863805.db2.gz VTXSBVWQIRDQIZ-JGVFFNPUSA-N -1 0 367.391 -0.744 20 0 FBADRM O=C(NC[C@H]1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1cnsn1 ZINC000980977324 658863092 /nfs/dbraw/zinc/86/30/92/658863092.db2.gz JCBHNQJAKHVPTG-NKWVEPMBSA-N -1 0 365.375 -0.537 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC[C@H](CNC(=O)c2cnsn2)C1 ZINC000980977650 658862866 /nfs/dbraw/zinc/86/28/66/658862866.db2.gz KDAZGABAFDCHRH-JGVFFNPUSA-N -1 0 367.391 -0.744 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC[C@H](CNC(=O)c2ccon2)C1 ZINC000980981125 658863619 /nfs/dbraw/zinc/86/36/19/658863619.db2.gz JYHLQSRLAXNXDL-DTWKUNHWSA-N -1 0 350.335 -0.608 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC[C@H](CNC(=O)c2cncs2)C1 ZINC000980988761 658864116 /nfs/dbraw/zinc/86/41/16/658864116.db2.gz CPBJPXNZEOMIAO-DTWKUNHWSA-N -1 0 366.403 -0.139 20 0 FBADRM O=C(N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCOC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000981007490 658864849 /nfs/dbraw/zinc/86/48/49/658864849.db2.gz CWRXSFRLIUWMRK-IVZWLZJFSA-N -1 0 351.363 -0.666 20 0 FBADRM O=C(N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCOC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000981007491 658864559 /nfs/dbraw/zinc/86/45/59/658864559.db2.gz CWRXSFRLIUWMRK-LPEHRKFASA-N -1 0 351.363 -0.666 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC000981008813 658864743 /nfs/dbraw/zinc/86/47/43/658864743.db2.gz CBCODRNQZXMPEV-GARJFASQSA-N -1 0 353.379 -0.873 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000981008814 658864668 /nfs/dbraw/zinc/86/46/68/658864668.db2.gz CBCODRNQZXMPEV-HBNTYKKESA-N -1 0 353.379 -0.873 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC[C@H](CNC(=O)c2cscn2)C1 ZINC000981031700 658865434 /nfs/dbraw/zinc/86/54/34/658865434.db2.gz ZLMQGXQLAGYKQR-DTWKUNHWSA-N -1 0 366.403 -0.139 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC[C@H](CNC(=O)c2cocn2)C1 ZINC000981040946 658865670 /nfs/dbraw/zinc/86/56/70/658865670.db2.gz BRHQAGABHYHVOI-DTWKUNHWSA-N -1 0 350.335 -0.608 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)c1[O-] ZINC000981162751 658868443 /nfs/dbraw/zinc/86/84/43/658868443.db2.gz DEBGQSXIAJDUNS-QJPTWQEYSA-N -1 0 352.391 -0.146 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)c1[O-] ZINC000981162752 658868547 /nfs/dbraw/zinc/86/85/47/658868547.db2.gz DEBGQSXIAJDUNS-TUAOUCFPSA-N -1 0 352.391 -0.146 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)c1[O-] ZINC000981162912 658868714 /nfs/dbraw/zinc/86/87/14/658868714.db2.gz HNWMDSIJRZPONE-AEJSXWLSSA-N -1 0 351.363 -0.453 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)c1[O-] ZINC000981162918 658868696 /nfs/dbraw/zinc/86/86/96/658868696.db2.gz HNWMDSIJRZPONE-IVZWLZJFSA-N -1 0 351.363 -0.453 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@H]2CC[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)c1[O-] ZINC000981167342 658868757 /nfs/dbraw/zinc/86/87/57/658868757.db2.gz IGPIIKFGSYSXBZ-GXSJLCMTSA-N -1 0 370.431 -0.517 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c1[O-] ZINC000981168604 658867613 /nfs/dbraw/zinc/86/76/13/658867613.db2.gz WACRGUIEEVUEDZ-AEJSXWLSSA-N -1 0 350.379 -0.880 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)c1[O-] ZINC000981168605 658868456 /nfs/dbraw/zinc/86/84/56/658868456.db2.gz WACRGUIEEVUEDZ-IVZWLZJFSA-N -1 0 350.379 -0.880 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)c1[O-] ZINC000981257844 658874501 /nfs/dbraw/zinc/87/45/01/658874501.db2.gz XMPKNMSCCISWBS-AEJSXWLSSA-N -1 0 351.363 -0.453 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)c1[O-] ZINC000981257848 658874358 /nfs/dbraw/zinc/87/43/58/658874358.db2.gz XMPKNMSCCISWBS-IVZWLZJFSA-N -1 0 351.363 -0.453 20 0 FBADRM O=C(N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC2(F)F)C1)c1n[nH]c(=O)[n-]c1=O ZINC000981291211 658875037 /nfs/dbraw/zinc/87/50/37/658875037.db2.gz BNQUAHJJVLJYBL-RNJXMRFFSA-N -1 0 357.317 -0.047 20 0 FBADRM O=C(N[C@@H]1CC[C@H](CNC(=O)[C@H]2CC2(F)F)C1)c1n[nH]c(=O)[n-]c1=O ZINC000981291212 658875190 /nfs/dbraw/zinc/87/51/90/658875190.db2.gz BNQUAHJJVLJYBL-XLPZGREQSA-N -1 0 357.317 -0.047 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CC2(F)F)C1 ZINC000981294697 658875079 /nfs/dbraw/zinc/87/50/79/658875079.db2.gz OLHQDYQBRDVTPE-DJLDLDEBSA-N -1 0 359.333 -0.254 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC2(F)F)C1 ZINC000981294698 658875352 /nfs/dbraw/zinc/87/53/52/658875352.db2.gz OLHQDYQBRDVTPE-YIZRAAEISA-N -1 0 359.333 -0.254 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](CNC(=O)C3CS(=O)(=O)C3)C2)c1[O-] ZINC000981413037 658880132 /nfs/dbraw/zinc/88/01/32/658880132.db2.gz DUZDEIGZZULIMK-GXSJLCMTSA-N -1 0 370.431 -0.517 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC[C@H](CNC(=O)c2ccns2)C1 ZINC000981493745 658883720 /nfs/dbraw/zinc/88/37/20/658883720.db2.gz PGGMZDJRDDFFDN-DTWKUNHWSA-N -1 0 366.403 -0.139 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC[C@H](CNC(=O)c2ccsn2)C1 ZINC000981610446 658886770 /nfs/dbraw/zinc/88/67/70/658886770.db2.gz XQPYRROZOHQEKI-DTWKUNHWSA-N -1 0 366.403 -0.139 20 0 FBADRM O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981670560 658888239 /nfs/dbraw/zinc/88/82/39/658888239.db2.gz DFWMZARCMRLMQM-SGMGOOAPSA-N -1 0 351.407 -0.404 20 0 FBADRM O=C(NC[C@H]1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1csnn1 ZINC000981794445 658892368 /nfs/dbraw/zinc/89/23/68/658892368.db2.gz ZISWNEWZLALCMV-NKWVEPMBSA-N -1 0 365.375 -0.537 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC[C@H](CNC(=O)c2csnn2)C1 ZINC000981795565 658892194 /nfs/dbraw/zinc/89/21/94/658892194.db2.gz ZSZQWJKHPILLCP-JGVFFNPUSA-N -1 0 367.391 -0.744 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC[C@H](CNC(=O)c2cnco2)C1 ZINC000981800339 658892340 /nfs/dbraw/zinc/89/23/40/658892340.db2.gz UCZXVWSNAJKMCW-DTWKUNHWSA-N -1 0 350.335 -0.608 20 0 FBADRM O=C(N[C@@H]1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1cnns1 ZINC000981807229 658893309 /nfs/dbraw/zinc/89/33/09/658893309.db2.gz AFNLNEHTOBTSIS-NKWVEPMBSA-N -1 0 365.375 -0.537 20 0 FBADRM O=C(N[C@@H]1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1cnsn1 ZINC000981807246 658893076 /nfs/dbraw/zinc/89/30/76/658893076.db2.gz ATFBRVOITCTIRK-NKWVEPMBSA-N -1 0 365.375 -0.537 20 0 FBADRM O=C(NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CCOC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000981807471 658892824 /nfs/dbraw/zinc/89/28/24/658892824.db2.gz MIOMRWYZROSBAP-IVZWLZJFSA-N -1 0 351.363 -0.666 20 0 FBADRM O=C(NC[C@H]1CC[C@@H](NC(=O)[C@H]2CCOC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000981807472 658893110 /nfs/dbraw/zinc/89/31/10/658893110.db2.gz MIOMRWYZROSBAP-LPEHRKFASA-N -1 0 351.363 -0.666 20 0 FBADRM O=C(NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCO2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000981807611 658892733 /nfs/dbraw/zinc/89/27/33/658892733.db2.gz SRORDFJORLOVIL-AEJSXWLSSA-N -1 0 351.363 -0.524 20 0 FBADRM O=C(NC[C@H]1CC[C@@H](NC(=O)[C@H]2CCCO2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000981807612 658893053 /nfs/dbraw/zinc/89/30/53/658893053.db2.gz SRORDFJORLOVIL-IVZWLZJFSA-N -1 0 351.363 -0.524 20 0 FBADRM O=C(NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CC2(F)F)C1)c1n[nH]c(=O)[n-]c1=O ZINC000981807646 658893170 /nfs/dbraw/zinc/89/31/70/658893170.db2.gz VAUUPVZLPYDMID-RNJXMRFFSA-N -1 0 357.317 -0.047 20 0 FBADRM O=C(NC[C@H]1CC[C@@H](NC(=O)[C@H]2CC2(F)F)C1)c1n[nH]c(=O)[n-]c1=O ZINC000981807647 658892754 /nfs/dbraw/zinc/89/27/54/658892754.db2.gz VAUUPVZLPYDMID-XLPZGREQSA-N -1 0 357.317 -0.047 20 0 FBADRM O=C(N[C@@H]1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1csnn1 ZINC000981811451 658893158 /nfs/dbraw/zinc/89/31/58/658893158.db2.gz VSYNVARUSOXGBH-NKWVEPMBSA-N -1 0 365.375 -0.537 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)N1CC2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC000981820738 658892957 /nfs/dbraw/zinc/89/29/57/658892957.db2.gz HHZVIBFSOYWHDT-AAEUAGOBSA-N -1 0 351.407 -0.261 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC[C@H](CNC(=O)c2nccs2)C1 ZINC000982013709 658902543 /nfs/dbraw/zinc/90/25/43/658902543.db2.gz BMYOXCCHGSBWNN-DTWKUNHWSA-N -1 0 366.403 -0.139 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)c1[O-] ZINC000982038566 658903398 /nfs/dbraw/zinc/90/33/98/658903398.db2.gz URLCROYYEAGDJQ-AEJSXWLSSA-N -1 0 350.379 -0.880 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)c1[O-] ZINC000982038567 658903248 /nfs/dbraw/zinc/90/32/48/658903248.db2.gz URLCROYYEAGDJQ-IVZWLZJFSA-N -1 0 350.379 -0.880 20 0 FBADRM CCO[C@@H]1CN(C(=O)CC)C[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000982460169 658918299 /nfs/dbraw/zinc/91/82/99/658918299.db2.gz IMLHEBONMLYETL-ZYHUDNBSSA-N -1 0 352.391 -0.511 20 0 FBADRM CCO[C@@H]1CN(C(=O)C(F)F)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000982492780 658921938 /nfs/dbraw/zinc/92/19/38/658921938.db2.gz YAMVCCHHBVSXJH-RNFRBKRXSA-N -1 0 361.305 -0.859 20 0 FBADRM CCO[C@@H]1CN(C(=O)C2CC2)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000982503558 658922280 /nfs/dbraw/zinc/92/22/80/658922280.db2.gz WUVRLVLUVZSYQL-NXEZZACHSA-N -1 0 351.363 -0.714 20 0 FBADRM CCCC(=O)N1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](OCC)C1 ZINC000982560057 658925361 /nfs/dbraw/zinc/92/53/61/658925361.db2.gz MKRGUFSIEIITIL-NXEZZACHSA-N -1 0 353.379 -0.324 20 0 FBADRM CCO[C@@H]1CN(C(=O)CSC)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000982612021 658926669 /nfs/dbraw/zinc/92/66/69/658926669.db2.gz QNBNMJRQFAQKFC-RKDXNWHRSA-N -1 0 371.419 -0.761 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@@H](CNC(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000982643776 658927883 /nfs/dbraw/zinc/92/78/83/658927883.db2.gz HOCVMVSSSMVHRP-MJVIPROJSA-N -1 0 352.391 -0.194 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H](CNC(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000982643781 658927873 /nfs/dbraw/zinc/92/78/73/658927873.db2.gz HOCVMVSSSMVHRP-WDMOLILDSA-N -1 0 352.391 -0.194 20 0 FBADRM CCO[C@@H]1CN(C(=O)C(C)C)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000982654760 658928316 /nfs/dbraw/zinc/92/83/16/658928316.db2.gz YZGOCSFJFNIRDU-NXEZZACHSA-N -1 0 353.379 -0.468 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CCN(C(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000982918203 658944130 /nfs/dbraw/zinc/94/41/30/658944130.db2.gz QOGSTNKHQXZRHX-MJVIPROJSA-N -1 0 352.391 -0.194 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@H]2CCN(C(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000982918204 658944089 /nfs/dbraw/zinc/94/40/89/658944089.db2.gz QOGSTNKHQXZRHX-WDMOLILDSA-N -1 0 352.391 -0.194 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000983033174 658949300 /nfs/dbraw/zinc/94/93/00/658949300.db2.gz NSUBYARBRYHEOD-KKZNHRDASA-N -1 0 351.363 -0.714 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000983033181 658949367 /nfs/dbraw/zinc/94/93/67/658949367.db2.gz NSUBYARBRYHEOD-YWVKMMECSA-N -1 0 351.363 -0.714 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC000983035062 658949512 /nfs/dbraw/zinc/94/95/12/658949512.db2.gz ZTFLWAWINGTQSL-KXUCPTDWSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC000983035063 658949356 /nfs/dbraw/zinc/94/93/56/658949356.db2.gz ZTFLWAWINGTQSL-OPRDCNLKSA-N -1 0 351.363 -0.571 20 0 FBADRM CCO[C@@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1CNC(C)=O ZINC000983057474 658950094 /nfs/dbraw/zinc/95/00/94/658950094.db2.gz LILDXYJDUQUWPI-ZYHUDNBSSA-N -1 0 353.379 -0.785 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000983060098 658950274 /nfs/dbraw/zinc/95/02/74/658950274.db2.gz FGQSTZFPIMFWCF-FOGDFJRCSA-N -1 0 353.379 -0.921 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000983060102 658950301 /nfs/dbraw/zinc/95/03/01/658950301.db2.gz FGQSTZFPIMFWCF-SCVCMEIPSA-N -1 0 353.379 -0.921 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)O1 ZINC000983063337 658950269 /nfs/dbraw/zinc/95/02/69/658950269.db2.gz YJKKCJVURFIYIO-GMTAPVOTSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)O1 ZINC000983063338 658950166 /nfs/dbraw/zinc/95/01/66/658950166.db2.gz YJKKCJVURFIYIO-OUAUKWLOSA-N -1 0 353.379 -0.779 20 0 FBADRM CCO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1CNC(=O)C1CC1 ZINC000983104371 658952114 /nfs/dbraw/zinc/95/21/14/658952114.db2.gz IAYIHFLRMQFBQB-NXEZZACHSA-N -1 0 351.363 -0.714 20 0 FBADRM CCO[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(=O)C1CC1 ZINC000983120232 658952224 /nfs/dbraw/zinc/95/22/24/658952224.db2.gz FDANLLPREUPJHU-GHMZBOCLSA-N -1 0 353.379 -0.921 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000983320911 658966901 /nfs/dbraw/zinc/96/69/01/658966901.db2.gz VOROGFKOMPKINY-KKZNHRDASA-N -1 0 351.363 -0.714 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000983320913 658966644 /nfs/dbraw/zinc/96/66/44/658966644.db2.gz VOROGFKOMPKINY-YWVKMMECSA-N -1 0 351.363 -0.714 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC000983342128 658969736 /nfs/dbraw/zinc/96/97/36/658969736.db2.gz SWEWQEJNTZSKKM-KXUCPTDWSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC000983342135 658969714 /nfs/dbraw/zinc/96/97/14/658969714.db2.gz SWEWQEJNTZSKKM-OPRDCNLKSA-N -1 0 351.363 -0.571 20 0 FBADRM COCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000983484781 658977013 /nfs/dbraw/zinc/97/70/13/658977013.db2.gz TUPPWAHMRMNRSA-MNOVXSKESA-N -1 0 352.391 -0.511 20 0 FBADRM CO[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000983656714 658984660 /nfs/dbraw/zinc/98/46/60/658984660.db2.gz XZUWRNXYVZGOCT-BBBLOLIVSA-N -1 0 353.379 -0.325 20 0 FBADRM CO[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000983656715 658984612 /nfs/dbraw/zinc/98/46/12/658984612.db2.gz XZUWRNXYVZGOCT-UTLUCORTSA-N -1 0 353.379 -0.325 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)C(F)F)CCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC000984382591 659027366 /nfs/dbraw/zinc/02/73/66/659027366.db2.gz ZHJPGRQFRNCADU-IONNQARKSA-N -1 0 359.333 -0.024 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCO2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000984489068 659031664 /nfs/dbraw/zinc/03/16/64/659031664.db2.gz ANPQLIFPDVWBRI-AXFHLTTASA-N -1 0 353.379 -0.636 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCO2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000984489074 659031772 /nfs/dbraw/zinc/03/17/72/659031772.db2.gz ANPQLIFPDVWBRI-HBNTYKKESA-N -1 0 353.379 -0.636 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCO2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000984498025 659032267 /nfs/dbraw/zinc/03/22/67/659032267.db2.gz XWSUEYONNUWVQU-AEJSXWLSSA-N -1 0 351.363 -0.429 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCO2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000984498038 659032105 /nfs/dbraw/zinc/03/21/05/659032105.db2.gz XWSUEYONNUWVQU-IVZWLZJFSA-N -1 0 351.363 -0.429 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@H]2COCCO2)CCN1C(=O)c1n[nH]c(C)c1[O-] ZINC000984601903 659046746 /nfs/dbraw/zinc/04/67/46/659046746.db2.gz LOSUOCLWSWAXRO-QJPTWQEYSA-N -1 0 352.391 -0.052 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@@H]2COCCO2)CCN1C(=O)c1n[nH]c(C)c1[O-] ZINC000984601904 659046828 /nfs/dbraw/zinc/04/68/28/659046828.db2.gz LOSUOCLWSWAXRO-TUAOUCFPSA-N -1 0 352.391 -0.052 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2cnsn2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000984614270 659047209 /nfs/dbraw/zinc/04/72/09/659047209.db2.gz IAFFMWLOFJNXAJ-POYBYMJQSA-N -1 0 365.375 -0.443 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2cnsn2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000984623322 659048209 /nfs/dbraw/zinc/04/82/09/659048209.db2.gz WOXDZUJATLQPDI-IONNQARKSA-N -1 0 367.391 -0.650 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2cnns2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000984623806 659047767 /nfs/dbraw/zinc/04/77/67/659047767.db2.gz AEKQCJINUWRWII-NKWVEPMBSA-N -1 0 365.375 -0.443 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2cnns2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000984625234 659047959 /nfs/dbraw/zinc/04/79/59/659047959.db2.gz PRIASWLERJRTJX-JGVFFNPUSA-N -1 0 367.391 -0.650 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2ccon2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000984626982 659049047 /nfs/dbraw/zinc/04/90/47/659049047.db2.gz HZJJYAQNPUOMIP-WCBMZHEXSA-N -1 0 350.335 -0.513 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2cncs2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000984630292 659051951 /nfs/dbraw/zinc/05/19/51/659051951.db2.gz KKWNDCMWOOWAIF-DTWKUNHWSA-N -1 0 366.403 -0.045 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCOC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000984651064 659054935 /nfs/dbraw/zinc/05/49/35/659054935.db2.gz AFPYFHDJQYGOTF-KXUCPTDWSA-N -1 0 351.363 -0.571 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@H]2CCOC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000984651065 659054643 /nfs/dbraw/zinc/05/46/43/659054643.db2.gz AFPYFHDJQYGOTF-LPEHRKFASA-N -1 0 351.363 -0.571 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@H]2CCOC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000984654085 659055703 /nfs/dbraw/zinc/05/57/03/659055703.db2.gz QXHOGLWFTNOCFM-GARJFASQSA-N -1 0 353.379 -0.779 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCOC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000984654086 659055558 /nfs/dbraw/zinc/05/55/58/659055558.db2.gz QXHOGLWFTNOCFM-OUAUKWLOSA-N -1 0 353.379 -0.779 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2cscn2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000984674973 659058687 /nfs/dbraw/zinc/05/86/87/659058687.db2.gz XRINMCVAAKSLFU-WCBMZHEXSA-N -1 0 366.403 -0.045 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2cocn2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000984677015 659058908 /nfs/dbraw/zinc/05/89/08/659058908.db2.gz UKQIROCAHHKWQS-WCBMZHEXSA-N -1 0 350.335 -0.513 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1C(=O)[C@H]1CNC(=O)N1 ZINC000984777045 659068536 /nfs/dbraw/zinc/06/85/36/659068536.db2.gz LXPHDWNEBHHADO-IVZWLZJFSA-N -1 0 350.379 -0.786 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC000984777046 659068595 /nfs/dbraw/zinc/06/85/95/659068595.db2.gz LXPHDWNEBHHADO-LPEHRKFASA-N -1 0 350.379 -0.786 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1C(=O)C1CS(=O)(=O)C1 ZINC000984777435 659068423 /nfs/dbraw/zinc/06/84/23/659068423.db2.gz YNPYTIIFCQWLAP-WDEREUQCSA-N -1 0 370.431 -0.422 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1C(=O)CS(C)(=O)=O ZINC000984777665 659068552 /nfs/dbraw/zinc/06/85/52/659068552.db2.gz BFWPXUVPWCLZER-VHSXEESVSA-N -1 0 358.420 -0.422 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1C(=O)[C@H]1COC(=O)N1 ZINC000984778181 659067469 /nfs/dbraw/zinc/06/74/69/659067469.db2.gz FSDAAMUOJMUUEI-IVZWLZJFSA-N -1 0 351.363 -0.359 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1C(=O)[C@@H]1COC(=O)N1 ZINC000984778185 659067416 /nfs/dbraw/zinc/06/74/16/659067416.db2.gz FSDAAMUOJMUUEI-LPEHRKFASA-N -1 0 351.363 -0.359 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1C(=O)[C@H]1COCCO1 ZINC000984778501 659067513 /nfs/dbraw/zinc/06/75/13/659067513.db2.gz JNOMWJPRXKUAMH-QJPTWQEYSA-N -1 0 352.391 -0.052 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1C(=O)[C@@H]1COCCO1 ZINC000984778502 659067588 /nfs/dbraw/zinc/06/75/88/659067588.db2.gz JNOMWJPRXKUAMH-TUAOUCFPSA-N -1 0 352.391 -0.052 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CCN1C(=O)c1n[nH]c(C)c1[O-] ZINC000984829994 659075020 /nfs/dbraw/zinc/07/50/20/659075020.db2.gz IZYJTWBWALWGBP-IVZWLZJFSA-N -1 0 351.363 -0.359 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CCN1C(=O)c1n[nH]c(C)c1[O-] ZINC000984829995 659074839 /nfs/dbraw/zinc/07/48/39/659074839.db2.gz IZYJTWBWALWGBP-LPEHRKFASA-N -1 0 351.363 -0.359 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@H]2CC2(F)F)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000984846412 659079295 /nfs/dbraw/zinc/07/92/95/659079295.db2.gz VCAAHZQKACTYFH-HRDYMLBCSA-N -1 0 359.333 -0.160 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC2(F)F)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000984846414 659078853 /nfs/dbraw/zinc/07/88/53/659078853.db2.gz VCAAHZQKACTYFH-XHNCKOQMSA-N -1 0 359.333 -0.160 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCN1C(=O)c1n[nH]c(C)c1[O-] ZINC000984917878 659854997 /nfs/dbraw/zinc/85/49/97/659854997.db2.gz HMGNSKVGZDHKTL-WDEREUQCSA-N -1 0 370.431 -0.422 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2ccns2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000984962727 659859009 /nfs/dbraw/zinc/85/90/09/659859009.db2.gz ZRCRGPPDDLQFAJ-DTWKUNHWSA-N -1 0 366.403 -0.045 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2ccsn2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000985033086 659861639 /nfs/dbraw/zinc/86/16/39/659861639.db2.gz BYXUGGSYIMHPIX-WCBMZHEXSA-N -1 0 366.403 -0.045 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2csnn2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000985180865 659868661 /nfs/dbraw/zinc/86/86/61/659868661.db2.gz PLYYXQYQHOAASB-POYBYMJQSA-N -1 0 365.375 -0.443 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2csnn2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000985181431 659868569 /nfs/dbraw/zinc/86/85/69/659868569.db2.gz YIDMBBCLHHHPFB-IONNQARKSA-N -1 0 367.391 -0.650 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2cnco2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000985184640 659868413 /nfs/dbraw/zinc/86/84/13/659868413.db2.gz GNSUJGXXMSBBSI-DTWKUNHWSA-N -1 0 350.335 -0.513 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)c1cnsn1 ZINC000985186148 659868940 /nfs/dbraw/zinc/86/89/40/659868940.db2.gz JDIHRRACFQKBKF-POYBYMJQSA-N -1 0 365.375 -0.443 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)c1cnns1 ZINC000985186685 659868864 /nfs/dbraw/zinc/86/88/64/659868864.db2.gz PVBAVJJFXPXQFF-NKWVEPMBSA-N -1 0 365.375 -0.443 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)CC(C)(C)O ZINC000985186985 659869110 /nfs/dbraw/zinc/86/91/10/659869110.db2.gz WBHVXILAAMACAP-DTWKUNHWSA-N -1 0 353.379 -0.447 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)[C@@H]1CCCO1 ZINC000985187015 659869122 /nfs/dbraw/zinc/86/91/22/659869122.db2.gz WOXOANRQPHKORX-AEJSXWLSSA-N -1 0 351.363 -0.429 20 0 FBADRM CC[C@H](OC)C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1CC ZINC000985187190 659868893 /nfs/dbraw/zinc/86/88/93/659868893.db2.gz ZBMNDNQLVNZUFZ-AEJSXWLSSA-N -1 0 353.379 -0.183 20 0 FBADRM CC[C@@H](OC)C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1CC ZINC000985187193 659868988 /nfs/dbraw/zinc/86/89/88/659868988.db2.gz ZBMNDNQLVNZUFZ-IVZWLZJFSA-N -1 0 353.379 -0.183 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)[C@H](O)C(C)C ZINC000985187203 659869018 /nfs/dbraw/zinc/86/90/18/659869018.db2.gz ZEJNJCZTQYUTQX-IQJOONFLSA-N -1 0 353.379 -0.591 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)[C@@H]1CCOC1 ZINC000985187213 659868407 /nfs/dbraw/zinc/86/84/07/659868407.db2.gz ZIIGRAVQULLDDZ-KXUCPTDWSA-N -1 0 351.363 -0.571 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)[C@H]1CCOC1 ZINC000985187215 659868591 /nfs/dbraw/zinc/86/85/91/659868591.db2.gz ZIIGRAVQULLDDZ-LPEHRKFASA-N -1 0 351.363 -0.571 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)c1csnn1 ZINC000985188545 659868401 /nfs/dbraw/zinc/86/84/01/659868401.db2.gz MTVZEHBSGYHVRJ-POYBYMJQSA-N -1 0 365.375 -0.443 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)[C@H]1CCCO1 ZINC000985189412 659868565 /nfs/dbraw/zinc/86/85/65/659868565.db2.gz WOXOANRQPHKORX-IVZWLZJFSA-N -1 0 351.363 -0.429 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)[C@H]1CCOC1 ZINC000985220122 659870070 /nfs/dbraw/zinc/87/00/70/659870070.db2.gz BOBDNOKXRVRZIY-GARJFASQSA-N -1 0 353.379 -0.779 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)[C@@H]1CCOC1 ZINC000985220123 659869915 /nfs/dbraw/zinc/86/99/15/659869915.db2.gz BOBDNOKXRVRZIY-OUAUKWLOSA-N -1 0 353.379 -0.779 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)c1ccns1 ZINC000985220132 659870123 /nfs/dbraw/zinc/87/01/23/659870123.db2.gz CFTCLPWWUZQHMT-DTWKUNHWSA-N -1 0 366.403 -0.045 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)c1cscn1 ZINC000985220184 659870057 /nfs/dbraw/zinc/87/00/57/659870057.db2.gz DRMWSWMBAOONRE-WCBMZHEXSA-N -1 0 366.403 -0.045 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)c1nccs1 ZINC000985220220 659869909 /nfs/dbraw/zinc/86/99/09/659869909.db2.gz FHQQVSQCDAEGEW-DTWKUNHWSA-N -1 0 366.403 -0.045 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)c1cocn1 ZINC000985220765 659870098 /nfs/dbraw/zinc/87/00/98/659870098.db2.gz HQMJKWPLZMUGCU-WCBMZHEXSA-N -1 0 350.335 -0.513 20 0 FBADRM CC[C@H](OC)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1CC ZINC000985220766 659870037 /nfs/dbraw/zinc/87/00/37/659870037.db2.gz HQYSFPOCSIVPFM-AXFHLTTASA-N -1 0 355.395 -0.390 20 0 FBADRM CC[C@@H](OC)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1CC ZINC000985220767 659869920 /nfs/dbraw/zinc/86/99/20/659869920.db2.gz HQYSFPOCSIVPFM-HBNTYKKESA-N -1 0 355.395 -0.390 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)[C@@H]1CCCO1 ZINC000985220826 659870015 /nfs/dbraw/zinc/87/00/15/659870015.db2.gz IRBSULHAAHRTDF-AXFHLTTASA-N -1 0 353.379 -0.636 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)[C@H]1CCCO1 ZINC000985220828 659870116 /nfs/dbraw/zinc/87/01/16/659870116.db2.gz IRBSULHAAHRTDF-HBNTYKKESA-N -1 0 353.379 -0.636 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)c1ccon1 ZINC000985220910 659870091 /nfs/dbraw/zinc/87/00/91/659870091.db2.gz JFLYJXPPYQPZMN-WCBMZHEXSA-N -1 0 350.335 -0.513 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)c1cnns1 ZINC000985222223 659869992 /nfs/dbraw/zinc/86/99/92/659869992.db2.gz LHSTXOCLLBAHFZ-JGVFFNPUSA-N -1 0 367.391 -0.650 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)c1cnsn1 ZINC000985222227 659869913 /nfs/dbraw/zinc/86/99/13/659869913.db2.gz LMCUBODOFAZMAC-IONNQARKSA-N -1 0 367.391 -0.650 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)[C@H](O)C(C)C ZINC000985222239 659869953 /nfs/dbraw/zinc/86/99/53/659869953.db2.gz LWHLWCHMPCSEII-HOSYDEDBSA-N -1 0 355.395 -0.798 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)c1cncs1 ZINC000985222283 659870108 /nfs/dbraw/zinc/87/01/08/659870108.db2.gz NOCKZTYHPYRDKU-DTWKUNHWSA-N -1 0 366.403 -0.045 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)[C@H]1CC1(F)F ZINC000985222398 659870265 /nfs/dbraw/zinc/87/02/65/659870265.db2.gz OBRSBAZPUOFDLI-HRDYMLBCSA-N -1 0 359.333 -0.160 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)[C@@H]1CC1(F)F ZINC000985222399 659870469 /nfs/dbraw/zinc/87/04/69/659870469.db2.gz OBRSBAZPUOFDLI-XHNCKOQMSA-N -1 0 359.333 -0.160 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)[C@@H](C)SC ZINC000985222597 659870326 /nfs/dbraw/zinc/87/03/26/659870326.db2.gz SHRZEUDLYOCPKO-KXUCPTDWSA-N -1 0 357.436 -0.064 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)[C@H](C)SC ZINC000985222598 659870434 /nfs/dbraw/zinc/87/04/34/659870434.db2.gz SHRZEUDLYOCPKO-LPEHRKFASA-N -1 0 357.436 -0.064 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)CC(C)(C)O ZINC000985223006 659870382 /nfs/dbraw/zinc/87/03/82/659870382.db2.gz YLRDUYSEYKGDNV-VHSXEESVSA-N -1 0 355.395 -0.654 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)c1cnco1 ZINC000985224072 659870398 /nfs/dbraw/zinc/87/03/98/659870398.db2.gz JXMDURXVYRGQKV-DTWKUNHWSA-N -1 0 350.335 -0.513 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)c1ccsn1 ZINC000985224618 659870444 /nfs/dbraw/zinc/87/04/44/659870444.db2.gz OUOXSOAKNHQILJ-WCBMZHEXSA-N -1 0 366.403 -0.045 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)c1csnn1 ZINC000985224659 659870495 /nfs/dbraw/zinc/87/04/95/659870495.db2.gz QDCLWGHEEGMZOV-IONNQARKSA-N -1 0 367.391 -0.650 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)[C@@H](C)OC ZINC000985231544 659870510 /nfs/dbraw/zinc/87/05/10/659870510.db2.gz CJSSIEXNQDRZOU-ADEWGFFLSA-N -1 0 352.391 -0.370 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)[C@H](C)OC ZINC000985231547 659870465 /nfs/dbraw/zinc/87/04/65/659870465.db2.gz CJSSIEXNQDRZOU-ZMLRMANQSA-N -1 0 352.391 -0.370 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)CSC ZINC000985232089 659870519 /nfs/dbraw/zinc/87/05/19/659870519.db2.gz MNAZTSVNPSPSDK-WDEREUQCSA-N -1 0 354.432 -0.042 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2nccs2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000985337200 659876744 /nfs/dbraw/zinc/87/67/44/659876744.db2.gz ZQBGNUAEAIPFCE-DTWKUNHWSA-N -1 0 366.403 -0.045 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CCN1C(=O)c1n[nH]c(C)c1[O-] ZINC000985374136 659877817 /nfs/dbraw/zinc/87/78/17/659877817.db2.gz UOXBETNPGFKDAW-IVZWLZJFSA-N -1 0 350.379 -0.786 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CCN1C(=O)c1n[nH]c(C)c1[O-] ZINC000985374137 659878009 /nfs/dbraw/zinc/87/80/09/659878009.db2.gz UOXBETNPGFKDAW-LPEHRKFASA-N -1 0 350.379 -0.786 20 0 FBADRM CC(F)(F)C(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C1 ZINC000985622125 659888079 /nfs/dbraw/zinc/88/80/79/659888079.db2.gz UNEWMEXLOGDHRU-BDAKNGLRSA-N -1 0 359.333 -0.349 20 0 FBADRM CC(F)(F)C(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2C1 ZINC000985622460 659888118 /nfs/dbraw/zinc/88/81/18/659888118.db2.gz YRQWTFBTXBEVBX-SFYZADRCSA-N -1 0 357.317 -0.142 20 0 FBADRM CC(C)(F)C(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C1 ZINC000985622655 659888214 /nfs/dbraw/zinc/88/82/14/659888214.db2.gz HEZYOAYFCMOKLR-ZJUUUORDSA-N -1 0 355.370 -0.256 20 0 FBADRM CC(C)(F)C(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2C1 ZINC000985625282 659888182 /nfs/dbraw/zinc/88/81/82/659888182.db2.gz UAYBVXJZVRQYOQ-BDAKNGLRSA-N -1 0 353.354 -0.049 20 0 FBADRM COCC(=O)N1C[C@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]2C1 ZINC000985636669 659888964 /nfs/dbraw/zinc/88/89/64/659888964.db2.gz XCMUPXLMZVXBIY-MNOVXSKESA-N -1 0 350.375 -0.947 20 0 FBADRM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC([N@H+](C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000985651277 659889632 /nfs/dbraw/zinc/88/96/32/659889632.db2.gz SZKZOLSOSMCYIA-NEPJUHHUSA-N -1 0 350.423 -0.343 20 0 FBADRM CSCC(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C1 ZINC000985684557 659890632 /nfs/dbraw/zinc/89/06/32/659890632.db2.gz DPHVOIJINIFJLX-ZJUUUORDSA-N -1 0 355.420 -0.641 20 0 FBADRM CSCC(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2C1 ZINC000985691397 659890646 /nfs/dbraw/zinc/89/06/46/659890646.db2.gz SICYFYZBMGFTEG-BDAKNGLRSA-N -1 0 353.404 -0.434 20 0 FBADRM CSCC(=O)N1C[C@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]2C1 ZINC000985694548 659891046 /nfs/dbraw/zinc/89/10/46/659891046.db2.gz RMSVVUKVYBXZCA-MNOVXSKESA-N -1 0 366.443 -0.231 20 0 FBADRM CS[C@@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2C1 ZINC000985764441 659892609 /nfs/dbraw/zinc/89/26/09/659892609.db2.gz GIHCHTXGJNHTAM-AEJSXWLSSA-N -1 0 367.431 -0.045 20 0 FBADRM CS[C@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2C1 ZINC000985764445 659892664 /nfs/dbraw/zinc/89/26/64/659892664.db2.gz GIHCHTXGJNHTAM-BBBLOLIVSA-N -1 0 367.431 -0.045 20 0 FBADRM CS[C@@H](C)C(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C1 ZINC000985765816 659892575 /nfs/dbraw/zinc/89/25/75/659892575.db2.gz MKMMZERZKQJDMU-AXFHLTTASA-N -1 0 369.447 -0.252 20 0 FBADRM CS[C@H](C)C(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C1 ZINC000985765819 659892539 /nfs/dbraw/zinc/89/25/39/659892539.db2.gz MKMMZERZKQJDMU-MXWKQRLJSA-N -1 0 369.447 -0.252 20 0 FBADRM CO[C@@H](C)C(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C1 ZINC000985794881 659896129 /nfs/dbraw/zinc/89/61/29/659896129.db2.gz LNYJGPLTYWELOV-AXFHLTTASA-N -1 0 353.379 -0.969 20 0 FBADRM CO[C@H](C)C(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C1 ZINC000985794887 659896231 /nfs/dbraw/zinc/89/62/31/659896231.db2.gz LNYJGPLTYWELOV-MXWKQRLJSA-N -1 0 353.379 -0.969 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@@H]3CN(C(=O)CS(C)(=O)=O)C[C@@H]3C2)c1[O-] ZINC000985795398 659896110 /nfs/dbraw/zinc/89/61/10/659896110.db2.gz YOLAVQNHDWWOBY-MNOVXSKESA-N -1 0 370.431 -0.611 20 0 FBADRM CO[C@@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2C1 ZINC000985797198 659896359 /nfs/dbraw/zinc/89/63/59/659896359.db2.gz YSOLHZSZDNDXME-AEJSXWLSSA-N -1 0 351.363 -0.762 20 0 FBADRM CO[C@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2C1 ZINC000985797199 659896551 /nfs/dbraw/zinc/89/65/51/659896551.db2.gz YSOLHZSZDNDXME-BBBLOLIVSA-N -1 0 351.363 -0.762 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3CN(C(=O)CS(C)(=O)=O)CC[C@@H]3C2)c1[O-] ZINC000985960622 659899582 /nfs/dbraw/zinc/89/95/82/659899582.db2.gz XAUVVEOLDULILQ-MNOVXSKESA-N -1 0 370.431 -0.611 20 0 FBADRM CC[C@@H](F)C(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC000986441298 659906862 /nfs/dbraw/zinc/90/68/62/659906862.db2.gz KVCNBKYSLYJZFY-KXUCPTDWSA-N -1 0 353.354 -0.049 20 0 FBADRM CC[C@H](F)C(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC000986441299 659906898 /nfs/dbraw/zinc/90/68/98/659906898.db2.gz KVCNBKYSLYJZFY-UTLUCORTSA-N -1 0 353.354 -0.049 20 0 FBADRM CC(F)(F)C(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC000986442101 659906871 /nfs/dbraw/zinc/90/68/71/659906871.db2.gz CMCSTUVTMAGPER-SFYZADRCSA-N -1 0 357.317 -0.142 20 0 FBADRM CS[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC000986442325 659906958 /nfs/dbraw/zinc/90/69/58/659906958.db2.gz IWFQQNDOCXIVKT-AEJSXWLSSA-N -1 0 367.431 -0.045 20 0 FBADRM CS[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC000986442326 659906911 /nfs/dbraw/zinc/90/69/11/659906911.db2.gz IWFQQNDOCXIVKT-BBBLOLIVSA-N -1 0 367.431 -0.045 20 0 FBADRM CC(C)(F)C(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC000986443096 659906818 /nfs/dbraw/zinc/90/68/18/659906818.db2.gz RJKQJBPAFLDLTG-BDAKNGLRSA-N -1 0 353.354 -0.049 20 0 FBADRM CSCC(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC000986443537 659906931 /nfs/dbraw/zinc/90/69/31/659906931.db2.gz VZRQNBUUTGCRDZ-BDAKNGLRSA-N -1 0 353.404 -0.434 20 0 FBADRM CO[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC000986443861 659906893 /nfs/dbraw/zinc/90/68/93/659906893.db2.gz XBUDWKOHINNSKV-AEJSXWLSSA-N -1 0 351.363 -0.762 20 0 FBADRM CO[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC000986443862 659906859 /nfs/dbraw/zinc/90/68/59/659906859.db2.gz XBUDWKOHINNSKV-BBBLOLIVSA-N -1 0 351.363 -0.762 20 0 FBADRM CC[C@@H](F)C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2C1 ZINC000986465198 659906916 /nfs/dbraw/zinc/90/69/16/659906916.db2.gz GAWNEGIQJVDSMQ-OUAUKWLOSA-N -1 0 355.370 -0.256 20 0 FBADRM CC[C@H](F)C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2C1 ZINC000986465199 659906811 /nfs/dbraw/zinc/90/68/11/659906811.db2.gz GAWNEGIQJVDSMQ-VWYCJHECSA-N -1 0 355.370 -0.256 20 0 FBADRM CC(C)(F)C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2C1 ZINC000986465801 659906945 /nfs/dbraw/zinc/90/69/45/659906945.db2.gz MTTSDCLYOFUKTG-ZJUUUORDSA-N -1 0 355.370 -0.256 20 0 FBADRM CS[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2C1 ZINC000986466670 659906907 /nfs/dbraw/zinc/90/69/07/659906907.db2.gz OQKJHDDOEREKOM-AXFHLTTASA-N -1 0 369.447 -0.252 20 0 FBADRM CS[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2C1 ZINC000986466673 659906943 /nfs/dbraw/zinc/90/69/43/659906943.db2.gz OQKJHDDOEREKOM-MXWKQRLJSA-N -1 0 369.447 -0.252 20 0 FBADRM CO[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2C1 ZINC000986466712 659906825 /nfs/dbraw/zinc/90/68/25/659906825.db2.gz PQIVWZWULYDNOH-AXFHLTTASA-N -1 0 353.379 -0.969 20 0 FBADRM CO[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2C1 ZINC000986466716 659906895 /nfs/dbraw/zinc/90/68/95/659906895.db2.gz PQIVWZWULYDNOH-MXWKQRLJSA-N -1 0 353.379 -0.969 20 0 FBADRM CC(F)(F)C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2C1 ZINC000986467061 659906941 /nfs/dbraw/zinc/90/69/41/659906941.db2.gz XDPPUVUSIVYSTE-BDAKNGLRSA-N -1 0 359.333 -0.349 20 0 FBADRM CSCC(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2C1 ZINC000986467143 659906929 /nfs/dbraw/zinc/90/69/29/659906929.db2.gz YCMOHBDXXJOWSV-ZJUUUORDSA-N -1 0 355.420 -0.641 20 0 FBADRM COCC(=O)N1CC[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@@H]2C1 ZINC000986472603 659907104 /nfs/dbraw/zinc/90/71/04/659907104.db2.gz KPUHGZWKMBMYQM-MNOVXSKESA-N -1 0 350.375 -0.947 20 0 FBADRM CSCC(=O)N1CC[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@@H]2C1 ZINC000986473002 659907116 /nfs/dbraw/zinc/90/71/16/659907116.db2.gz PMHFOOMAFCXUPU-MNOVXSKESA-N -1 0 366.443 -0.231 20 0 FBADRM CC[C@@H](F)C(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C1 ZINC000986511386 659907329 /nfs/dbraw/zinc/90/73/29/659907329.db2.gz DUAVXSMNJNIPDI-OUAUKWLOSA-N -1 0 355.370 -0.256 20 0 FBADRM CC[C@H](F)C(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C1 ZINC000986511388 659907276 /nfs/dbraw/zinc/90/72/76/659907276.db2.gz DUAVXSMNJNIPDI-VWYCJHECSA-N -1 0 355.370 -0.256 20 0 FBADRM CC[C@@H](F)C(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2C1 ZINC000986514153 659907560 /nfs/dbraw/zinc/90/75/60/659907560.db2.gz UTJAMMGOTNROFG-KXUCPTDWSA-N -1 0 353.354 -0.049 20 0 FBADRM CC[C@H](F)C(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2C1 ZINC000986514157 659907589 /nfs/dbraw/zinc/90/75/89/659907589.db2.gz UTJAMMGOTNROFG-UTLUCORTSA-N -1 0 353.354 -0.049 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C2CCOCC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987200723 659922080 /nfs/dbraw/zinc/92/20/80/659922080.db2.gz DGLJWXOTFLRUNX-KOLCDFICSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C2CCOCC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000987201219 659922063 /nfs/dbraw/zinc/92/20/63/659922063.db2.gz MMPHDSQGGIUDAW-SCZZXKLOSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C(C)(F)F)CCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC000987212003 659922046 /nfs/dbraw/zinc/92/20/46/659922046.db2.gz AVAKXVGXLCPSFN-SFYZADRCSA-N -1 0 359.333 -0.024 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2CCCO2)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000987282807 659923327 /nfs/dbraw/zinc/92/33/27/659923327.db2.gz MNTYFDDZDLFJMG-ADEWGFFLSA-N -1 0 350.375 -0.616 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCO2)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000987282808 659923358 /nfs/dbraw/zinc/92/33/58/659923358.db2.gz MNTYFDDZDLFJMG-USWWRNFRSA-N -1 0 350.375 -0.616 20 0 FBADRM Cc1cc(C(=O)N[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C)no1 ZINC000987289622 659922542 /nfs/dbraw/zinc/92/25/42/659922542.db2.gz LUDSIMZVUKGCLY-BDAKNGLRSA-N -1 0 350.335 -0.595 20 0 FBADRM Cc1nnsc1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC000987317183 659923651 /nfs/dbraw/zinc/92/36/51/659923651.db2.gz IZGWLSLRBGDMIW-SFYZADRCSA-N -1 0 367.391 -0.731 20 0 FBADRM Cc1nnsc1C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC000987318073 659923956 /nfs/dbraw/zinc/92/39/56/659923956.db2.gz KYZVNIPKHXORNY-RQJHMYQMSA-N -1 0 365.375 -0.524 20 0 FBADRM Cc1cc(C(=O)N[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C)on1 ZINC000987323732 659923887 /nfs/dbraw/zinc/92/38/87/659923887.db2.gz MFJIJRXWRZZFOD-BDAKNGLRSA-N -1 0 350.335 -0.595 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C[C@H]2CCCO2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000987383105 659925155 /nfs/dbraw/zinc/92/51/55/659925155.db2.gz BMMLLPYLSPSBMV-BBBLOLIVSA-N -1 0 351.363 -0.429 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCO2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000987383106 659925122 /nfs/dbraw/zinc/92/51/22/659925122.db2.gz BMMLLPYLSPSBMV-UTLUCORTSA-N -1 0 351.363 -0.429 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C[C@H]2CCCO2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987383323 659925119 /nfs/dbraw/zinc/92/51/19/659925119.db2.gz FWSOZQJASKWSGI-MXWKQRLJSA-N -1 0 353.379 -0.636 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCO2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987383324 659925138 /nfs/dbraw/zinc/92/51/38/659925138.db2.gz FWSOZQJASKWSGI-VWYCJHECSA-N -1 0 353.379 -0.636 20 0 FBADRM Cc1ncsc1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC000987386099 659925089 /nfs/dbraw/zinc/92/50/89/659925089.db2.gz BPHUDITYBPVDJJ-BDAKNGLRSA-N -1 0 366.403 -0.126 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cnns2)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000987396101 659926475 /nfs/dbraw/zinc/92/64/75/659926475.db2.gz JRKHHKJDGGAJMV-APPZFPTMSA-N -1 0 364.387 -0.630 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cnsn2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000987396280 659926526 /nfs/dbraw/zinc/92/65/26/659926526.db2.gz JDHOFWNRUNOPQQ-RITPCOANSA-N -1 0 351.348 -0.833 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cnns2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000987398519 659925647 /nfs/dbraw/zinc/92/56/47/659925647.db2.gz ZFNNLPGRZPOJOL-RITPCOANSA-N -1 0 351.348 -0.833 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cnsn2)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000987400371 659925716 /nfs/dbraw/zinc/92/57/16/659925716.db2.gz LHSSHOUESRIMFB-APPZFPTMSA-N -1 0 364.387 -0.630 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cncs2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987411442 659926850 /nfs/dbraw/zinc/92/68/50/659926850.db2.gz GCRIYIDHQXAPSW-SFYZADRCSA-N -1 0 352.376 -0.435 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cncs2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000987411664 659926864 /nfs/dbraw/zinc/92/68/64/659926864.db2.gz IAVLKPRUIFWCFN-RQJHMYQMSA-N -1 0 350.360 -0.228 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cncs2)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000987414629 659926597 /nfs/dbraw/zinc/92/65/97/659926597.db2.gz KCLNXLMZVQSARP-SCZZXKLOSA-N -1 0 363.399 -0.025 20 0 FBADRM Cc1ocnc1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC000987422935 659926857 /nfs/dbraw/zinc/92/68/57/659926857.db2.gz HEGIPLXOZPGZBM-APPZFPTMSA-N -1 0 350.335 -0.595 20 0 FBADRM Cc1ncc(C(=O)N[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C)s1 ZINC000987434950 659926923 /nfs/dbraw/zinc/92/69/23/659926923.db2.gz COBIRKVYBRSWHK-APPZFPTMSA-N -1 0 366.403 -0.126 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCOC2)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000987437031 659927087 /nfs/dbraw/zinc/92/70/87/659927087.db2.gz OMOVODVWJRYIBJ-FOGDFJRCSA-N -1 0 350.375 -0.758 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2CCOC2)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000987437032 659927128 /nfs/dbraw/zinc/92/71/28/659927128.db2.gz OMOVODVWJRYIBJ-SCVCMEIPSA-N -1 0 350.375 -0.758 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cscn2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000987440385 659927138 /nfs/dbraw/zinc/92/71/38/659927138.db2.gz RSDHVULQILZLPN-RQJHMYQMSA-N -1 0 350.360 -0.228 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C2=COCCC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987443658 659927418 /nfs/dbraw/zinc/92/74/18/659927418.db2.gz ZEIAZBTUGWGERK-KOLCDFICSA-N -1 0 351.363 -0.511 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cscn2)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000987444058 659927347 /nfs/dbraw/zinc/92/73/47/659927347.db2.gz IAZAAVBHWAMLDW-SCZZXKLOSA-N -1 0 363.399 -0.025 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCOC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987445848 659927788 /nfs/dbraw/zinc/92/77/88/659927788.db2.gz GUHYEKATCKENEQ-MXWKQRLJSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2CCCOC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987445849 659927838 /nfs/dbraw/zinc/92/78/38/659927838.db2.gz GUHYEKATCKENEQ-VWYCJHECSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCOC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000987448121 659927867 /nfs/dbraw/zinc/92/78/67/659927867.db2.gz XESTZBPYIXQLDG-BBBLOLIVSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2CCCOC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000987448124 659927771 /nfs/dbraw/zinc/92/77/71/659927771.db2.gz XESTZBPYIXQLDG-UTLUCORTSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cscn2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987451594 659927853 /nfs/dbraw/zinc/92/78/53/659927853.db2.gz KOBXXPCFMGMHNU-SFYZADRCSA-N -1 0 352.376 -0.435 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cc2ccon2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987480423 659928251 /nfs/dbraw/zinc/92/82/51/659928251.db2.gz DLFYBRHLDTYMRB-SCZZXKLOSA-N -1 0 350.335 -0.974 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C[C@H]2CCOC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000987482959 659928318 /nfs/dbraw/zinc/92/83/18/659928318.db2.gz JSGARORLONOVFL-BBBLOLIVSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCOC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000987482962 659928340 /nfs/dbraw/zinc/92/83/40/659928340.db2.gz JSGARORLONOVFL-UTLUCORTSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C[C@H]2CCOC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987484323 659928332 /nfs/dbraw/zinc/92/83/32/659928332.db2.gz UXXBFFQUDIEQNR-MXWKQRLJSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCOC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987484324 659928333 /nfs/dbraw/zinc/92/83/33/659928333.db2.gz UXXBFFQUDIEQNR-VWYCJHECSA-N -1 0 353.379 -0.779 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@H]3CN(C)CCO3)[C@H]2C)c1[O-] ZINC000987507615 659929016 /nfs/dbraw/zinc/92/90/16/659929016.db2.gz NRCDJJKOSWUAQJ-GRYCIOLGSA-N -1 0 351.407 -0.526 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CN(C)CCO3)[C@H]2C)c1[O-] ZINC000987507618 659929045 /nfs/dbraw/zinc/92/90/45/659929045.db2.gz NRCDJJKOSWUAQJ-WOPDTQHZSA-N -1 0 351.407 -0.526 20 0 FBADRM Cc1ncoc1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC000987524965 659929280 /nfs/dbraw/zinc/92/92/80/659929280.db2.gz BFEAXZVBNPTQHW-BDAKNGLRSA-N -1 0 350.335 -0.595 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C2CC(F)(F)C2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987560781 659929558 /nfs/dbraw/zinc/92/95/58/659929558.db2.gz CAIPGJFPZXCOFY-APPZFPTMSA-N -1 0 359.333 -0.160 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)S(C)(=O)=O)[C@@H]2C)c1[O-] ZINC000987598576 659930057 /nfs/dbraw/zinc/93/00/57/659930057.db2.gz GCQTXYXTLKFABZ-BBBLOLIVSA-N -1 0 358.420 -0.424 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@H](C)S(C)(=O)=O)[C@@H]2C)c1[O-] ZINC000987598577 659930006 /nfs/dbraw/zinc/93/00/06/659930006.db2.gz GCQTXYXTLKFABZ-UTLUCORTSA-N -1 0 358.420 -0.424 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C)c1[O-] ZINC000987599514 659930017 /nfs/dbraw/zinc/93/00/17/659930017.db2.gz RLPNXURJGHYQTF-KXUCPTDWSA-N -1 0 350.379 -0.833 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C)c1[O-] ZINC000987599515 659930052 /nfs/dbraw/zinc/93/00/52/659930052.db2.gz RLPNXURJGHYQTF-UTLUCORTSA-N -1 0 350.379 -0.833 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@H]3OCCO[C@H]3C)[C@@H]2C)c1[O-] ZINC000987600026 659930064 /nfs/dbraw/zinc/93/00/64/659930064.db2.gz YSGZSUQKJCPIDI-ZHPDPMBESA-N -1 0 352.391 -0.053 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)CC3CS(=O)(=O)C3)[C@@H]2C)c1[O-] ZINC000987600612 659929790 /nfs/dbraw/zinc/92/97/90/659929790.db2.gz BYACCQMZERRHBY-KOLCDFICSA-N -1 0 370.431 -0.422 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2CCCCO2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987601119 659929751 /nfs/dbraw/zinc/92/97/51/659929751.db2.gz FRMIJAUKNDJIEL-OUAUKWLOSA-N -1 0 353.379 -0.636 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCO2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987601122 659929734 /nfs/dbraw/zinc/92/97/34/659929734.db2.gz FRMIJAUKNDJIEL-VWYCJHECSA-N -1 0 353.379 -0.636 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@H]3CN(C)CCO3)[C@@H]2C)c1[O-] ZINC000987601324 659929873 /nfs/dbraw/zinc/92/98/73/659929873.db2.gz HRIPCYNLQHEXCY-GRYCIOLGSA-N -1 0 351.407 -0.526 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)CN3CCOCC3)[C@@H]2C)c1[O-] ZINC000987601813 659930037 /nfs/dbraw/zinc/93/00/37/659930037.db2.gz IOAQOOBMHKWVKF-NEPJUHHUSA-N -1 0 351.407 -0.525 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@H]3COCCN3C)[C@@H]2C)c1[O-] ZINC000987603705 659930217 /nfs/dbraw/zinc/93/02/17/659930217.db2.gz RLPARWAWWKGSOG-GRYCIOLGSA-N -1 0 351.407 -0.526 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@@H]3COCCN3C)[C@@H]2C)c1[O-] ZINC000987603711 659930225 /nfs/dbraw/zinc/93/02/25/659930225.db2.gz RLPARWAWWKGSOG-WOPDTQHZSA-N -1 0 351.407 -0.526 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2CCCCO2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000987603760 659930268 /nfs/dbraw/zinc/93/02/68/659930268.db2.gz UQLHMMYZOTZJJN-KXUCPTDWSA-N -1 0 351.363 -0.429 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCO2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000987603763 659930292 /nfs/dbraw/zinc/93/02/92/659930292.db2.gz UQLHMMYZOTZJJN-UTLUCORTSA-N -1 0 351.363 -0.429 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)[C@@H]2C)c1[O-] ZINC000987606949 659930284 /nfs/dbraw/zinc/93/02/84/659930284.db2.gz CSKRCKDCDCSFRF-OUAUKWLOSA-N -1 0 370.431 -0.280 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)[C@@H]2C)c1[O-] ZINC000987606954 659930267 /nfs/dbraw/zinc/93/02/67/659930267.db2.gz CSKRCKDCDCSFRF-VWYCJHECSA-N -1 0 370.431 -0.280 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)CO[C@@H]3CCOC3)[C@@H]2C)c1[O-] ZINC000987607098 659930258 /nfs/dbraw/zinc/93/02/58/659930258.db2.gz DPLVQHBYLTUZKU-UTUOFQBUSA-N -1 0 352.391 -0.052 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)CO[C@H]3CCOC3)[C@@H]2C)c1[O-] ZINC000987607102 659930286 /nfs/dbraw/zinc/93/02/86/659930286.db2.gz DPLVQHBYLTUZKU-WOPDTQHZSA-N -1 0 352.391 -0.052 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)[C@@H]2C)c1[O-] ZINC000987608146 659930281 /nfs/dbraw/zinc/93/02/81/659930281.db2.gz KLASEAUSXHLWCA-SCZZXKLOSA-N -1 0 356.404 -0.812 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)[C@@H]2C)c1[O-] ZINC000987608346 659930260 /nfs/dbraw/zinc/93/02/60/659930260.db2.gz LPFJPKRBNSCWLK-MXWKQRLJSA-N -1 0 370.431 -0.422 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)[C@@H]2C)c1[O-] ZINC000987608348 659930287 /nfs/dbraw/zinc/93/02/87/659930287.db2.gz LPFJPKRBNSCWLK-VWYCJHECSA-N -1 0 370.431 -0.422 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)CN3CCOCC3)[C@H]2C)c1[O-] ZINC000987631516 659930263 /nfs/dbraw/zinc/93/02/63/659930263.db2.gz FLVSNRWZUSXBGU-NEPJUHHUSA-N -1 0 351.407 -0.525 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@H]3COCCN3C)[C@H]2C)c1[O-] ZINC000987639061 659930705 /nfs/dbraw/zinc/93/07/05/659930705.db2.gz NIJDRZQSYOFSET-GRYCIOLGSA-N -1 0 351.407 -0.526 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@@H]3COCCN3C)[C@H]2C)c1[O-] ZINC000987639062 659930682 /nfs/dbraw/zinc/93/06/82/659930682.db2.gz NIJDRZQSYOFSET-WOPDTQHZSA-N -1 0 351.407 -0.526 20 0 FBADRM Cc1nscc1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC000987653529 659931114 /nfs/dbraw/zinc/93/11/14/659931114.db2.gz VHPQMRAGQDJXGU-SCZZXKLOSA-N -1 0 366.403 -0.126 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C2=CCOCC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987693491 659931790 /nfs/dbraw/zinc/93/17/90/659931790.db2.gz GTOXYBPMBSXADF-KOLCDFICSA-N -1 0 351.363 -0.858 20 0 FBADRM Cc1nc(C(=O)N[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C)co1 ZINC000987698743 659931886 /nfs/dbraw/zinc/93/18/86/659931886.db2.gz NGECZMIWHSOQQQ-APPZFPTMSA-N -1 0 350.335 -0.595 20 0 FBADRM Cc1cc(C(=O)N[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C)ns1 ZINC000987750920 659933035 /nfs/dbraw/zinc/93/30/35/659933035.db2.gz KLBKEHXEGZJYGS-BDAKNGLRSA-N -1 0 366.403 -0.126 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000987771240 659933200 /nfs/dbraw/zinc/93/32/00/659933200.db2.gz SPIDIADPRCTIES-KVPKETBZSA-N -1 0 357.317 -0.097 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987782556 659932918 /nfs/dbraw/zinc/93/29/18/659932918.db2.gz LAXSKDHRMQZAGM-XGEHTFHBSA-N -1 0 359.333 -0.304 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@@H]2CC2(F)F)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000987834984 659934129 /nfs/dbraw/zinc/93/41/29/659934129.db2.gz SBCQDPHBUKZJAG-JEZHCXPESA-N -1 0 356.329 -0.140 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2CC2(F)F)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000987834985 659934187 /nfs/dbraw/zinc/93/41/87/659934187.db2.gz SBCQDPHBUKZJAG-QNSHHTMESA-N -1 0 356.329 -0.140 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cc2cscn2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000988038182 659936066 /nfs/dbraw/zinc/93/60/66/659936066.db2.gz HHCBEIDOXNMCPV-APPZFPTMSA-N -1 0 364.387 -0.299 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cc2cscn2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000988043328 659936279 /nfs/dbraw/zinc/93/62/79/659936279.db2.gz UFVKAVTUFFBKAU-SCZZXKLOSA-N -1 0 366.403 -0.506 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)C3CS(=O)(=O)C3)[C@H]2C)c1[O-] ZINC000988207771 659940336 /nfs/dbraw/zinc/94/03/36/659940336.db2.gz UOSWNSDRQQZLOE-SCZZXKLOSA-N -1 0 356.404 -0.812 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C)c1[O-] ZINC000988347491 659943874 /nfs/dbraw/zinc/94/38/74/659943874.db2.gz UWJINHSUFFZSSU-OUAUKWLOSA-N -1 0 370.431 -0.280 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCS3(=O)=O)[C@H]2C)c1[O-] ZINC000988347501 659943863 /nfs/dbraw/zinc/94/38/63/659943863.db2.gz UWJINHSUFFZSSU-VWYCJHECSA-N -1 0 370.431 -0.280 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2ccns2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000988399052 659946412 /nfs/dbraw/zinc/94/64/12/659946412.db2.gz FPZDGCRMZPMVHQ-SFYZADRCSA-N -1 0 352.376 -0.435 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2ccns2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000988404166 659946339 /nfs/dbraw/zinc/94/63/39/659946339.db2.gz SKMMDWLITOWBQZ-RQJHMYQMSA-N -1 0 350.360 -0.228 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2ccns2)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000988407416 659946352 /nfs/dbraw/zinc/94/63/52/659946352.db2.gz ISQFDUHNTOQPTO-SCZZXKLOSA-N -1 0 363.399 -0.025 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cc2cncs2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000988564096 659949734 /nfs/dbraw/zinc/94/97/34/659949734.db2.gz DAMKMGBQRIPXLW-SCZZXKLOSA-N -1 0 366.403 -0.506 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cc2cncs2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000988566905 659949740 /nfs/dbraw/zinc/94/97/40/659949740.db2.gz ZDEWBSIZGARLPD-APPZFPTMSA-N -1 0 364.387 -0.299 20 0 FBADRM COC1CC(C(=O)N[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C)C1 ZINC000988596744 659950362 /nfs/dbraw/zinc/95/03/62/659950362.db2.gz CDKKWZIQFUMWJX-SFXRXQKFSA-N -1 0 353.379 -0.780 20 0 FBADRM COC1CC(C(=O)N[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C)C1 ZINC000988600312 659950365 /nfs/dbraw/zinc/95/03/65/659950365.db2.gz QAPPBYGSBRIUCZ-WOOKNIGNSA-N -1 0 351.363 -0.573 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2ccsn2)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000988695751 659952109 /nfs/dbraw/zinc/95/21/09/659952109.db2.gz CJLCIGRQRBDPES-SCZZXKLOSA-N -1 0 363.399 -0.025 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2CCC2(F)F)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000988699184 659952350 /nfs/dbraw/zinc/95/23/50/659952350.db2.gz HAKPHGXCIFHONQ-HLTSFMKQSA-N -1 0 359.333 -0.160 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC2(F)F)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000988699187 659952294 /nfs/dbraw/zinc/95/22/94/659952294.db2.gz HAKPHGXCIFHONQ-VGMNWLOBSA-N -1 0 359.333 -0.160 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2ccsn2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000988702276 659952299 /nfs/dbraw/zinc/95/22/99/659952299.db2.gz JAKOVJXJLROYFS-SFYZADRCSA-N -1 0 352.376 -0.435 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2ccsn2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000988702367 659952200 /nfs/dbraw/zinc/95/22/00/659952200.db2.gz KKKAJRWIXKSAQK-RQJHMYQMSA-N -1 0 350.360 -0.228 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@H]3OCCO[C@H]3C)[C@H]2C)c1[O-] ZINC000988734701 659953065 /nfs/dbraw/zinc/95/30/65/659953065.db2.gz MVRUYKALFPOXRU-ZHPDPMBESA-N -1 0 352.391 -0.053 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)CC3CS(=O)(=O)C3)[C@H]2C)c1[O-] ZINC000988795577 659955584 /nfs/dbraw/zinc/95/55/84/659955584.db2.gz JSXYAXKDNFOYTP-KOLCDFICSA-N -1 0 370.431 -0.422 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCS(=O)(=O)C3)[C@H]2C)c1[O-] ZINC000988913273 659957896 /nfs/dbraw/zinc/95/78/96/659957896.db2.gz FAVHHQMARLXPTQ-MXWKQRLJSA-N -1 0 370.431 -0.422 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCS(=O)(=O)C3)[C@H]2C)c1[O-] ZINC000988913274 659957931 /nfs/dbraw/zinc/95/79/31/659957931.db2.gz FAVHHQMARLXPTQ-VWYCJHECSA-N -1 0 370.431 -0.422 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cc(F)c[nH]2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000989002840 659960332 /nfs/dbraw/zinc/96/03/32/659960332.db2.gz QCNHJLUTRQFJGN-SVRRBLITSA-N -1 0 350.310 -0.217 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cc(F)c[nH]2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000989003015 659960317 /nfs/dbraw/zinc/96/03/17/659960317.db2.gz FVBPPLZSQJGTIP-APPZFPTMSA-N -1 0 352.326 -0.424 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2csnn2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000989087112 659961843 /nfs/dbraw/zinc/96/18/43/659961843.db2.gz YXESNGSKUPHPNB-RITPCOANSA-N -1 0 351.348 -0.833 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2csnn2)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000989088128 659961873 /nfs/dbraw/zinc/96/18/73/659961873.db2.gz AYZLCHCWIOWIQW-APPZFPTMSA-N -1 0 364.387 -0.630 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)c1cc(F)c[nH]1 ZINC000989113284 659962126 /nfs/dbraw/zinc/96/21/26/659962126.db2.gz AYLVWOPQKNVRKW-SVRRBLITSA-N -1 0 350.310 -0.217 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)[C@H]1CCCCO1 ZINC000989113289 659962112 /nfs/dbraw/zinc/96/21/12/659962112.db2.gz BAUYRGVLTWHFGQ-KXUCPTDWSA-N -1 0 351.363 -0.429 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)[C@@H]1CCCCO1 ZINC000989113292 659962078 /nfs/dbraw/zinc/96/20/78/659962078.db2.gz BAUYRGVLTWHFGQ-UTLUCORTSA-N -1 0 351.363 -0.429 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)c1cscn1 ZINC000989113354 659962086 /nfs/dbraw/zinc/96/20/86/659962086.db2.gz BWPYNTMQZXUHNL-RQJHMYQMSA-N -1 0 350.360 -0.228 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)c1cnsn1 ZINC000989113376 659962069 /nfs/dbraw/zinc/96/20/69/659962069.db2.gz CRPLXIBSHGDPNY-RITPCOANSA-N -1 0 351.348 -0.833 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)CC1(O)CCC1 ZINC000989113404 659962088 /nfs/dbraw/zinc/96/20/88/659962088.db2.gz DUZGSGVVTCHEIC-BDAKNGLRSA-N -1 0 351.363 -0.693 20 0 FBADRM Cc1nnsc1C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC000989113407 659962072 /nfs/dbraw/zinc/96/20/72/659962072.db2.gz DYOONVVRIBLSHI-RQJHMYQMSA-N -1 0 365.375 -0.524 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)c1nccs1 ZINC000989113593 659962073 /nfs/dbraw/zinc/96/20/73/659962073.db2.gz GGMHYCOIICUWNK-RQJHMYQMSA-N -1 0 350.360 -0.228 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)c1cnns1 ZINC000989113613 659962096 /nfs/dbraw/zinc/96/20/96/659962096.db2.gz GWAREPDFFJVEKK-RITPCOANSA-N -1 0 351.348 -0.833 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)[C@@H]1CCCOC1 ZINC000989113643 659962123 /nfs/dbraw/zinc/96/21/23/659962123.db2.gz HTLMXWGEUUGKCX-BBBLOLIVSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)[C@H]1CCCOC1 ZINC000989113645 659962090 /nfs/dbraw/zinc/96/20/90/659962090.db2.gz HTLMXWGEUUGKCX-UTLUCORTSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C)O1 ZINC000989113649 659962119 /nfs/dbraw/zinc/96/21/19/659962119.db2.gz HYKCLQZBIHYHMU-DOLQZWNJSA-N -1 0 351.363 -0.431 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)c1cc(Cl)no1 ZINC000989113650 659962125 /nfs/dbraw/zinc/96/21/25/659962125.db2.gz HZLXLFMMUVUNMJ-RITPCOANSA-N -1 0 368.737 -0.043 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)C1CCOCC1 ZINC000989113725 659962083 /nfs/dbraw/zinc/96/20/83/659962083.db2.gz JMHRZFNLADUUOC-SCZZXKLOSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)[C@H]1C[C@@H]1C(F)F ZINC000989113919 659962103 /nfs/dbraw/zinc/96/21/03/659962103.db2.gz MNVAJDAGNKOSQY-KVPKETBZSA-N -1 0 357.317 -0.097 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)C[C@H]1CCOC1 ZINC000989113968 659962305 /nfs/dbraw/zinc/96/23/05/659962305.db2.gz OBVPNGSIFRMGEA-BBBLOLIVSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)C[C@@H]1CCOC1 ZINC000989113970 659962362 /nfs/dbraw/zinc/96/23/62/659962362.db2.gz OBVPNGSIFRMGEA-UTLUCORTSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)c1ccns1 ZINC000989114402 659962377 /nfs/dbraw/zinc/96/23/77/659962377.db2.gz PVICOHIPNFFZHZ-RQJHMYQMSA-N -1 0 350.360 -0.228 20 0 FBADRM COC1CC(C(=O)N2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C)C1 ZINC000989114442 659962354 /nfs/dbraw/zinc/96/23/54/659962354.db2.gz QHNSVVQQSZSJPA-WOOKNIGNSA-N -1 0 351.363 -0.573 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)c1ccsn1 ZINC000989114453 659962370 /nfs/dbraw/zinc/96/23/70/659962370.db2.gz QJCVYNTZZDIRTJ-RQJHMYQMSA-N -1 0 350.360 -0.228 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)Cc1cscn1 ZINC000989114490 659962288 /nfs/dbraw/zinc/96/22/88/659962288.db2.gz RLKGKKHBUNHDEY-APPZFPTMSA-N -1 0 364.387 -0.299 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)C(=O)C(C)(C)C ZINC000989114497 659962312 /nfs/dbraw/zinc/96/23/12/659962312.db2.gz RRCZGGANNGQCBP-SFYZADRCSA-N -1 0 351.363 -0.383 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)c1cncs1 ZINC000989114498 659962403 /nfs/dbraw/zinc/96/24/03/659962403.db2.gz RRSLCOKBINFIAU-RQJHMYQMSA-N -1 0 350.360 -0.228 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)Cc1cncs1 ZINC000989114814 659962402 /nfs/dbraw/zinc/96/24/02/659962402.db2.gz TUPBLEPSUJYOSW-APPZFPTMSA-N -1 0 364.387 -0.299 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)C[C@H]1CCCO1 ZINC000989114912 659962321 /nfs/dbraw/zinc/96/23/21/659962321.db2.gz WRRDMNCFGHEKLI-BBBLOLIVSA-N -1 0 351.363 -0.429 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)C[C@@H]1CCCO1 ZINC000989114913 659962398 /nfs/dbraw/zinc/96/23/98/659962398.db2.gz WRRDMNCFGHEKLI-UTLUCORTSA-N -1 0 351.363 -0.429 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC000989114921 659962407 /nfs/dbraw/zinc/96/24/07/659962407.db2.gz WUANBTGTJYHFQQ-REIXXSIJSA-N -1 0 351.363 -0.573 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)c1n[nH]cc1F ZINC000989115105 659962331 /nfs/dbraw/zinc/96/23/31/659962331.db2.gz XOTCFQBBUQIUGC-VDTYLAMSSA-N -1 0 351.298 -0.822 20 0 FBADRM CO[C@H](C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C)C1CC1 ZINC000989115172 659962334 /nfs/dbraw/zinc/96/23/34/659962334.db2.gz YHBHHNYQKDRYFE-HDBBIHSSSA-N -1 0 351.363 -0.573 20 0 FBADRM CO[C@@H](C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C)C1CC1 ZINC000989115174 659962385 /nfs/dbraw/zinc/96/23/85/659962385.db2.gz YHBHHNYQKDRYFE-POZPLHJXSA-N -1 0 351.363 -0.573 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)[C@@]1(F)CCOC1 ZINC000989119849 659962390 /nfs/dbraw/zinc/96/23/90/659962390.db2.gz XBWVYAFLUJPOTD-CYVIZDSUSA-N -1 0 355.326 -0.869 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)[C@]1(F)CCOC1 ZINC000989119853 659962359 /nfs/dbraw/zinc/96/23/59/659962359.db2.gz XBWVYAFLUJPOTD-KXEKKFMESA-N -1 0 355.326 -0.869 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)c1csnn1 ZINC000989119915 659962409 /nfs/dbraw/zinc/96/24/09/659962409.db2.gz XVFVVQIRFZDJQS-RITPCOANSA-N -1 0 351.348 -0.833 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)c1csc(=O)[nH]1 ZINC000989119998 659962387 /nfs/dbraw/zinc/96/23/87/659962387.db2.gz ZFFQERKVQGGIQA-RITPCOANSA-N -1 0 366.359 -0.522 20 0 FBADRM Cc1conc1C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC000989195116 659963412 /nfs/dbraw/zinc/96/34/12/659963412.db2.gz GSSDWWKTZVVENK-BDAKNGLRSA-N -1 0 350.335 -0.595 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)[C@H]1CCC1(F)F ZINC000989195126 659963326 /nfs/dbraw/zinc/96/33/26/659963326.db2.gz GVTFCYXSZWNQOY-HLTSFMKQSA-N -1 0 359.333 -0.160 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)[C@@H]1CCC1(F)F ZINC000989195128 659963373 /nfs/dbraw/zinc/96/33/73/659963373.db2.gz GVTFCYXSZWNQOY-VGMNWLOBSA-N -1 0 359.333 -0.160 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)c1csc(=O)[nH]1 ZINC000989195133 659963380 /nfs/dbraw/zinc/96/33/80/659963380.db2.gz GWBCIUGVHPFQDP-RQJHMYQMSA-N -1 0 368.375 -0.729 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)Cc1cnoc1 ZINC000989195146 659963379 /nfs/dbraw/zinc/96/33/79/659963379.db2.gz HCGHCOZTEXZLNQ-SCZZXKLOSA-N -1 0 350.335 -0.974 20 0 FBADRM C[C@H](C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C)C(F)(F)F ZINC000989195281 659963403 /nfs/dbraw/zinc/96/34/03/659963403.db2.gz HQLMRHDVRWDJNE-PRJMDXOYSA-N -1 0 365.312 -0.007 20 0 FBADRM C[C@@H](C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C)C(F)(F)F ZINC000989195289 659963349 /nfs/dbraw/zinc/96/33/49/659963349.db2.gz HQLMRHDVRWDJNE-RNJXMRFFSA-N -1 0 365.312 -0.007 20 0 FBADRM CC[C@@H](SC)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC000989195903 659963324 /nfs/dbraw/zinc/96/33/24/659963324.db2.gz ACUYVNOBPNLEKJ-KXUCPTDWSA-N -1 0 357.436 -0.064 20 0 FBADRM CC[C@H](SC)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC000989195906 659963405 /nfs/dbraw/zinc/96/34/05/659963405.db2.gz ACUYVNOBPNLEKJ-UTLUCORTSA-N -1 0 357.436 -0.064 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)Cc1ccon1 ZINC000989196017 659963363 /nfs/dbraw/zinc/96/33/63/659963363.db2.gz AUTJFXOMYBNYKQ-SCZZXKLOSA-N -1 0 350.335 -0.974 20 0 FBADRM Cc1nc(C(=O)N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C)cs1 ZINC000989196095 659963400 /nfs/dbraw/zinc/96/34/00/659963400.db2.gz LPRMDMPMAQARCI-APPZFPTMSA-N -1 0 366.403 -0.126 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C1=COCCC1 ZINC000989196209 659963627 /nfs/dbraw/zinc/96/36/27/659963627.db2.gz BVGAMWJXJRMRLO-KOLCDFICSA-N -1 0 351.363 -0.511 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C1CC(F)(F)C1 ZINC000989196256 659963650 /nfs/dbraw/zinc/96/36/50/659963650.db2.gz CGXBTQKMKQUXKV-APPZFPTMSA-N -1 0 359.333 -0.160 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)c1cc(F)c[nH]1 ZINC000989196308 659963559 /nfs/dbraw/zinc/96/35/59/659963559.db2.gz NMMUVCOPTARBSA-APPZFPTMSA-N -1 0 352.326 -0.424 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)Cc1cscn1 ZINC000989196338 659963644 /nfs/dbraw/zinc/96/36/44/659963644.db2.gz NWQHKFXJNBYMBN-SCZZXKLOSA-N -1 0 366.403 -0.506 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)c1ccns1 ZINC000989196362 659963580 /nfs/dbraw/zinc/96/35/80/659963580.db2.gz NZYXYAWFSLAQOF-SFYZADRCSA-N -1 0 352.376 -0.435 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC000989196656 659963555 /nfs/dbraw/zinc/96/35/55/659963555.db2.gz OYMYSHKGDZECLM-SVDPJWKOSA-N -1 0 353.379 -0.780 20 0 FBADRM Cc1cnoc1C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC000989196689 659963576 /nfs/dbraw/zinc/96/35/76/659963576.db2.gz QDZTZNQRBLTBAO-BDAKNGLRSA-N -1 0 350.335 -0.595 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)c1cc(Cl)no1 ZINC000989196736 659963586 /nfs/dbraw/zinc/96/35/86/659963586.db2.gz RUGYFJRNPZLESF-RQJHMYQMSA-N -1 0 370.753 -0.250 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C)O1 ZINC000989196867 659963629 /nfs/dbraw/zinc/96/36/29/659963629.db2.gz SSVUAPWUXGFFKT-CHWFTXMASA-N -1 0 353.379 -0.638 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)c1nccs1 ZINC000989196889 659963632 /nfs/dbraw/zinc/96/36/32/659963632.db2.gz UHFYJHDYYFLLQG-SFYZADRCSA-N -1 0 352.376 -0.435 20 0 FBADRM COC1CC(C(=O)N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C)C1 ZINC000989196903 659963608 /nfs/dbraw/zinc/96/36/08/659963608.db2.gz VDDRVAHVGCJFOJ-SFXRXQKFSA-N -1 0 353.379 -0.780 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)Cc1cncs1 ZINC000989196983 659963624 /nfs/dbraw/zinc/96/36/24/659963624.db2.gz WLGRVZBIZKMUCU-SCZZXKLOSA-N -1 0 366.403 -0.506 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C[C@H]1CCOC1 ZINC000989196987 659963648 /nfs/dbraw/zinc/96/36/48/659963648.db2.gz WOIGUTWTYTZZRD-MXWKQRLJSA-N -1 0 353.379 -0.779 20 0 FBADRM Cc1nocc1C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC000989197060 659963645 /nfs/dbraw/zinc/96/36/45/659963645.db2.gz WULNMPKMDOUQGL-SCZZXKLOSA-N -1 0 350.335 -0.595 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)c1ccsn1 ZINC000989197094 659963633 /nfs/dbraw/zinc/96/36/33/659963633.db2.gz YLQDQZBBVPIMII-SFYZADRCSA-N -1 0 352.376 -0.435 20 0 FBADRM Cc1cc(C(=O)N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C)on1 ZINC000989197532 659963571 /nfs/dbraw/zinc/96/35/71/659963571.db2.gz FCVFRVYZSWOBME-BDAKNGLRSA-N -1 0 350.335 -0.595 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)[C@H]1C[C@@H]1C(F)F ZINC000989197564 659963589 /nfs/dbraw/zinc/96/35/89/659963589.db2.gz FWAAJPJEXVGONO-XGEHTFHBSA-N -1 0 359.333 -0.304 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)[C@H]1CCCCO1 ZINC000989197636 659963605 /nfs/dbraw/zinc/96/36/05/659963605.db2.gz HBSFKKPXISGOFV-OUAUKWLOSA-N -1 0 353.379 -0.636 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)[C@@H]1CCCCO1 ZINC000989197639 659963635 /nfs/dbraw/zinc/96/36/35/659963635.db2.gz HBSFKKPXISGOFV-VWYCJHECSA-N -1 0 353.379 -0.636 20 0 FBADRM CO[C@H](C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C)C1CC1 ZINC000989197643 659963614 /nfs/dbraw/zinc/96/36/14/659963614.db2.gz HELUKTFIWHJLIV-QRTLGDNMSA-N -1 0 353.379 -0.780 20 0 FBADRM CO[C@@H](C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C)C1CC1 ZINC000989197645 659963552 /nfs/dbraw/zinc/96/35/52/659963552.db2.gz HELUKTFIWHJLIV-UBHAPETDSA-N -1 0 353.379 -0.780 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C(=O)C(C)(C)C ZINC000989197680 659963558 /nfs/dbraw/zinc/96/35/58/659963558.db2.gz HNJYXTNGZABSAU-BDAKNGLRSA-N -1 0 353.379 -0.590 20 0 FBADRM Cc1ncoc1C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC000989198108 659963654 /nfs/dbraw/zinc/96/36/54/659963654.db2.gz JFCSXPOXHZOXPT-BDAKNGLRSA-N -1 0 350.335 -0.595 20 0 FBADRM Cc1ncc(C(=O)N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C)s1 ZINC000989198170 659963563 /nfs/dbraw/zinc/96/35/63/659963563.db2.gz JZZWROQLULYZJB-APPZFPTMSA-N -1 0 366.403 -0.126 20 0 FBADRM Cc1cc(C(=O)N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C)ns1 ZINC000989198235 659963594 /nfs/dbraw/zinc/96/35/94/659963594.db2.gz KUWQNDPHBXFSIM-BDAKNGLRSA-N -1 0 366.403 -0.126 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)c1cncs1 ZINC000989198239 659963652 /nfs/dbraw/zinc/96/36/52/659963652.db2.gz LAHSNSCQSCBGBQ-SFYZADRCSA-N -1 0 352.376 -0.435 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)CC(F)(F)F ZINC000989198242 659963598 /nfs/dbraw/zinc/96/35/98/659963598.db2.gz LCTAHIQCPSYZPS-RQJHMYQMSA-N -1 0 351.285 -0.253 20 0 FBADRM Cc1ncsc1C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC000989198298 659963656 /nfs/dbraw/zinc/96/36/56/659963656.db2.gz LYUSAPFWBQGNCD-BDAKNGLRSA-N -1 0 366.403 -0.126 20 0 FBADRM Cc1cc(C(=O)N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C)no1 ZINC000989198302 659963612 /nfs/dbraw/zinc/96/36/12/659963612.db2.gz LZNVCMUKHOLFQP-BDAKNGLRSA-N -1 0 350.335 -0.595 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)[C@@H]1CCCOC1 ZINC000989198630 659963583 /nfs/dbraw/zinc/96/35/83/659963583.db2.gz OAAJPMUMLKZUGK-MXWKQRLJSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)[C@H]1CCCOC1 ZINC000989198632 659963637 /nfs/dbraw/zinc/96/36/37/659963637.db2.gz OAAJPMUMLKZUGK-VWYCJHECSA-N -1 0 353.379 -0.779 20 0 FBADRM Cc1nc(C(=O)N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C)co1 ZINC000989198793 659963620 /nfs/dbraw/zinc/96/36/20/659963620.db2.gz QBTZIZWOQGIAHI-APPZFPTMSA-N -1 0 350.335 -0.595 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)c1cscn1 ZINC000989199249 659963641 /nfs/dbraw/zinc/96/36/41/659963641.db2.gz SAQYVUSNOFWFKR-SFYZADRCSA-N -1 0 352.376 -0.435 20 0 FBADRM Cc1nnsc1C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC000989199263 659963600 /nfs/dbraw/zinc/96/36/00/659963600.db2.gz SGFGHPKDLJAFHY-SFYZADRCSA-N -1 0 367.391 -0.731 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C[C@H]1CCCO1 ZINC000989199277 659963585 /nfs/dbraw/zinc/96/35/85/659963585.db2.gz SKCBUROOALIMPH-MXWKQRLJSA-N -1 0 353.379 -0.636 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C[C@@H]1CCCO1 ZINC000989199280 659963566 /nfs/dbraw/zinc/96/35/66/659963566.db2.gz SKCBUROOALIMPH-VWYCJHECSA-N -1 0 353.379 -0.636 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)CC1(O)CCC1 ZINC000989199389 659963732 /nfs/dbraw/zinc/96/37/32/659963732.db2.gz VARVGTWCRBPOJQ-ZJUUUORDSA-N -1 0 353.379 -0.900 20 0 FBADRM Cc1nscc1C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC000989199575 659963725 /nfs/dbraw/zinc/96/37/25/659963725.db2.gz WCEVWVCKIBKNHE-SCZZXKLOSA-N -1 0 366.403 -0.126 20 0 FBADRM Cc1ocnc1C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC000989199650 659963730 /nfs/dbraw/zinc/96/37/30/659963730.db2.gz WNCTYFXSVLXIDZ-APPZFPTMSA-N -1 0 350.335 -0.595 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C[C@@H]1CCOC1 ZINC000989199669 659963773 /nfs/dbraw/zinc/96/37/73/659963773.db2.gz WOIGUTWTYTZZRD-VWYCJHECSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C1CCOCC1 ZINC000989199735 659963788 /nfs/dbraw/zinc/96/37/88/659963788.db2.gz XPLHAFXSIZPPOE-KOLCDFICSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)C1=CCOCC1 ZINC000989199793 659963782 /nfs/dbraw/zinc/96/37/82/659963782.db2.gz YOIKIJSGXHIKQX-KOLCDFICSA-N -1 0 351.363 -0.858 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)[C@@H]1CC1(F)F ZINC000989223482 659964018 /nfs/dbraw/zinc/96/40/18/659964018.db2.gz AQKKWCAIUSEZKX-JEZHCXPESA-N -1 0 356.329 -0.140 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)[C@H]1CC1(F)F ZINC000989223483 659964054 /nfs/dbraw/zinc/96/40/54/659964054.db2.gz AQKKWCAIUSEZKX-QNSHHTMESA-N -1 0 356.329 -0.140 20 0 FBADRM CC[C@@H](OC)C(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H]1C ZINC000989223551 659964030 /nfs/dbraw/zinc/96/40/30/659964030.db2.gz CHKHYMYSGKHZFK-ADEWGFFLSA-N -1 0 352.391 -0.370 20 0 FBADRM CC[C@H](OC)C(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H]1C ZINC000989223553 659964027 /nfs/dbraw/zinc/96/40/27/659964027.db2.gz CHKHYMYSGKHZFK-USWWRNFRSA-N -1 0 352.391 -0.370 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)c1cnsn1 ZINC000989223674 659964040 /nfs/dbraw/zinc/96/40/40/659964040.db2.gz DEUNPSFHRVGAIK-APPZFPTMSA-N -1 0 364.387 -0.630 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)CC(C)(C)O ZINC000989223732 659964069 /nfs/dbraw/zinc/96/40/69/659964069.db2.gz DOWDUJYUCLDDGH-KOLCDFICSA-N -1 0 352.391 -0.634 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)c1ccsn1 ZINC000989224130 659964351 /nfs/dbraw/zinc/96/43/51/659964351.db2.gz FSDJXXNPNDWHTF-SCZZXKLOSA-N -1 0 363.399 -0.025 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)c1cscn1 ZINC000989224731 659964371 /nfs/dbraw/zinc/96/43/71/659964371.db2.gz KRANXRROJJJNHV-SCZZXKLOSA-N -1 0 363.399 -0.025 20 0 FBADRM CS[C@H](C)C(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H]1C ZINC000989224738 659964334 /nfs/dbraw/zinc/96/43/34/659964334.db2.gz KWQLWULMZKULKB-KKZNHRDASA-N -1 0 354.432 -0.043 20 0 FBADRM CS[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H]1C ZINC000989224740 659964274 /nfs/dbraw/zinc/96/42/74/659964274.db2.gz KWQLWULMZKULKB-YWVKMMECSA-N -1 0 354.432 -0.043 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)[C@@H]1CCOC1 ZINC000989224863 659964272 /nfs/dbraw/zinc/96/42/72/659964272.db2.gz MPVJPIWVCYVWIA-FOGDFJRCSA-N -1 0 350.375 -0.758 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)[C@H]1CCOC1 ZINC000989224865 659964339 /nfs/dbraw/zinc/96/43/39/659964339.db2.gz MPVJPIWVCYVWIA-SCVCMEIPSA-N -1 0 350.375 -0.758 20 0 FBADRM CC(C)[C@@H](O)C(=O)N1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H]1C ZINC000989224930 659964328 /nfs/dbraw/zinc/96/43/28/659964328.db2.gz NRXRLAZCMXDQQX-ADEWGFFLSA-N -1 0 352.391 -0.778 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)c1nccs1 ZINC000989225145 659964227 /nfs/dbraw/zinc/96/42/27/659964227.db2.gz OJKNUOXTJPXJJN-SCZZXKLOSA-N -1 0 363.399 -0.025 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)[C@H]1CCCO1 ZINC000989225272 659964331 /nfs/dbraw/zinc/96/43/31/659964331.db2.gz PLJQBYYYIAMMOG-ADEWGFFLSA-N -1 0 350.375 -0.616 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)[C@@H]1CCCO1 ZINC000989225275 659964325 /nfs/dbraw/zinc/96/43/25/659964325.db2.gz PLJQBYYYIAMMOG-USWWRNFRSA-N -1 0 350.375 -0.616 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)c1cncs1 ZINC000989225437 659964229 /nfs/dbraw/zinc/96/42/29/659964229.db2.gz RCXMDOKRBQVNPR-SCZZXKLOSA-N -1 0 363.399 -0.025 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)c1csnn1 ZINC000989225910 659964220 /nfs/dbraw/zinc/96/42/20/659964220.db2.gz SPSYCEXXIYXKBI-APPZFPTMSA-N -1 0 364.387 -0.630 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)c1cnns1 ZINC000989226203 659964198 /nfs/dbraw/zinc/96/41/98/659964198.db2.gz XZVQLPCRXAAXCJ-APPZFPTMSA-N -1 0 364.387 -0.630 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)c1ccns1 ZINC000989226986 659964368 /nfs/dbraw/zinc/96/43/68/659964368.db2.gz SXJFAFGLCBQTND-SCZZXKLOSA-N -1 0 363.399 -0.025 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@H]3CN(C)C(=O)N3)[C@H]2C)c1[O-] ZINC000989238307 659964945 /nfs/dbraw/zinc/96/49/45/659964945.db2.gz AHKLMEPJPZMLNF-KXUCPTDWSA-N -1 0 350.379 -0.833 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CN(C)C(=O)N3)[C@H]2C)c1[O-] ZINC000989238319 659964928 /nfs/dbraw/zinc/96/49/28/659964928.db2.gz AHKLMEPJPZMLNF-UTLUCORTSA-N -1 0 350.379 -0.833 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCN1C(=O)C(F)F ZINC000989306956 659966458 /nfs/dbraw/zinc/96/64/58/659966458.db2.gz NIBFAXBTHSTKFZ-APPZFPTMSA-N -1 0 354.317 -0.558 20 0 FBADRM CSCC(=O)N1CC[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H]1C ZINC000989312413 659966402 /nfs/dbraw/zinc/96/64/02/659966402.db2.gz UMTCZVNOIJJDSF-KOLCDFICSA-N -1 0 364.431 -0.460 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2csc(=O)[nH]2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000989351399 659968203 /nfs/dbraw/zinc/96/82/03/659968203.db2.gz MFGKDJHIQLOIGO-RITPCOANSA-N -1 0 366.359 -0.522 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2csc(=O)[nH]2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000989354237 659968270 /nfs/dbraw/zinc/96/82/70/659968270.db2.gz YGUXCXKDVQTNCX-RQJHMYQMSA-N -1 0 368.375 -0.729 20 0 FBADRM Cc1nc[nH]c(=O)c1C(=O)N[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)[C@@H]1C ZINC000989367643 659968702 /nfs/dbraw/zinc/96/87/02/659968702.db2.gz RPAMZQMDGQYPST-KOLCDFICSA-N -1 0 368.415 -0.746 20 0 FBADRM Cc1nc[nH]c(=O)c1C(=O)N[C@H]1CCN(C(=O)[C@@H](C)S(C)(=O)=O)[C@@H]1C ZINC000989367984 659968734 /nfs/dbraw/zinc/96/87/34/659968734.db2.gz JZCDUIBZZZCEOZ-MXWKQRLJSA-N -1 0 370.431 -0.357 20 0 FBADRM Cc1nc[nH]c(=O)c1C(=O)N[C@H]1CCN(C(=O)[C@H](C)S(C)(=O)=O)[C@@H]1C ZINC000989367985 659968801 /nfs/dbraw/zinc/96/88/01/659968801.db2.gz JZCDUIBZZZCEOZ-VWYCJHECSA-N -1 0 370.431 -0.357 20 0 FBADRM Cc1nc[nH]c(=O)c1C(=O)N[C@H]1CCN(C(=O)[C@H]2COCCO2)[C@@H]1C ZINC000989368343 659968692 /nfs/dbraw/zinc/96/86/92/659968692.db2.gz JNSRYJUZYLGMDA-GRYCIOLGSA-N -1 0 350.375 -0.375 20 0 FBADRM Cc1nc[nH]c(=O)c1C(=O)N[C@H]1CCN(C(=O)[C@@H]2COCCO2)[C@@H]1C ZINC000989368344 659968664 /nfs/dbraw/zinc/96/86/64/659968664.db2.gz JNSRYJUZYLGMDA-WOPDTQHZSA-N -1 0 350.375 -0.375 20 0 FBADRM Cc1nc[nH]c(=O)c1C(=O)N[C@H]1CCN(C(=O)CS(C)(=O)=O)[C@@H]1C ZINC000989371185 659968776 /nfs/dbraw/zinc/96/87/76/659968776.db2.gz YBMFJORGUATMMB-ZJUUUORDSA-N -1 0 356.404 -0.746 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cc2cnoc2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000989377591 659968968 /nfs/dbraw/zinc/96/89/68/659968968.db2.gz KRNHIESLMRFUGL-SCZZXKLOSA-N -1 0 350.335 -0.974 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCOC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000989387422 659969681 /nfs/dbraw/zinc/96/96/81/659969681.db2.gz VPZHGSKONBNPJE-CYVIZDSUSA-N -1 0 355.326 -0.869 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@]2(F)CCOC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000989387423 659969615 /nfs/dbraw/zinc/96/96/15/659969615.db2.gz VPZHGSKONBNPJE-KXEKKFMESA-N -1 0 355.326 -0.869 20 0 FBADRM Cc1nc(C(=O)N[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C)cs1 ZINC000989388239 659969597 /nfs/dbraw/zinc/96/95/97/659969597.db2.gz YZDBJMSYHBMKEM-APPZFPTMSA-N -1 0 366.403 -0.126 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2nccs2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000989455031 659978280 /nfs/dbraw/zinc/97/82/80/659978280.db2.gz HNSLPPINFDNTNZ-RQJHMYQMSA-N -1 0 350.360 -0.228 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2nccs2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000989455782 659978743 /nfs/dbraw/zinc/97/87/43/659978743.db2.gz YAPKQVOBVWKBRH-SFYZADRCSA-N -1 0 352.376 -0.435 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2nccs2)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000989460980 659979088 /nfs/dbraw/zinc/97/90/88/659979088.db2.gz DOLXTVXQADEAHW-SCZZXKLOSA-N -1 0 363.399 -0.025 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCOC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000989502655 659979550 /nfs/dbraw/zinc/97/95/50/659979550.db2.gz HVTJUCHMULUNOB-FTGAXOIBSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCOC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000989502663 659979506 /nfs/dbraw/zinc/97/95/06/659979506.db2.gz HVTJUCHMULUNOB-HFBDOXOYSA-N -1 0 353.379 -0.779 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCOC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000989503417 659979488 /nfs/dbraw/zinc/97/94/88/659979488.db2.gz NPIABSJDWFCGJW-CEFVDNRUSA-N -1 0 351.363 -0.571 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCOC2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000989503419 659979589 /nfs/dbraw/zinc/97/95/89/659979589.db2.gz NPIABSJDWFCGJW-OLBFVZFUSA-N -1 0 351.363 -0.571 20 0 FBADRM Cc1nocc1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC000989606498 659981089 /nfs/dbraw/zinc/98/10/89/659981089.db2.gz VDUQKDPPOYYRQT-SCZZXKLOSA-N -1 0 350.335 -0.595 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000989620826 659981127 /nfs/dbraw/zinc/98/11/27/659981127.db2.gz RRTNWMJVDSSOTH-RITPCOANSA-N -1 0 368.737 -0.043 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000989621093 659981146 /nfs/dbraw/zinc/98/11/46/659981146.db2.gz ZJZJGHABJWWSKV-RQJHMYQMSA-N -1 0 370.753 -0.250 20 0 FBADRM Cc1cnoc1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC000989684259 659981576 /nfs/dbraw/zinc/98/15/76/659981576.db2.gz XYLARSFUXGPDFF-BDAKNGLRSA-N -1 0 350.335 -0.595 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]cc2F)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000989750963 659982230 /nfs/dbraw/zinc/98/22/30/659982230.db2.gz DVNXEQGEEGNCTI-VDTYLAMSSA-N -1 0 351.298 -0.822 20 0 FBADRM Cc1conc1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC000989950355 659982876 /nfs/dbraw/zinc/98/28/76/659982876.db2.gz SXZSGAHZGUJRFF-BDAKNGLRSA-N -1 0 350.335 -0.595 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC000990077219 659984006 /nfs/dbraw/zinc/98/40/06/659984006.db2.gz RWSAQAAUHKGCGP-REIXXSIJSA-N -1 0 351.363 -0.573 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC000990077366 659983935 /nfs/dbraw/zinc/98/39/35/659983935.db2.gz VJSRQHXUFRGUEE-SVDPJWKOSA-N -1 0 353.379 -0.780 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C)O1 ZINC000990346931 659985699 /nfs/dbraw/zinc/98/56/99/659985699.db2.gz ZOQVFGCFCRDNLH-DOLQZWNJSA-N -1 0 351.363 -0.431 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C)O1 ZINC000990352703 659985916 /nfs/dbraw/zinc/98/59/16/659985916.db2.gz ZSOJEBSCMJUVKG-CHWFTXMASA-N -1 0 353.379 -0.638 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C(F)F)[C@@H](n3ccnn3)C2)c1[O-] ZINC000990787319 659997415 /nfs/dbraw/zinc/99/74/15/659997415.db2.gz DGDQJGLBLAGMRS-SFYZADRCSA-N -1 0 355.305 -0.538 20 0 FBADRM CSCC(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](n2ccnn2)C1 ZINC000990846937 660003104 /nfs/dbraw/zinc/00/31/04/660003104.db2.gz JOFGAWYCPLQYEI-ZJUUUORDSA-N -1 0 365.419 -0.440 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@@H]2n2ccnn2)c1[O-] ZINC000990849755 660003077 /nfs/dbraw/zinc/00/30/77/660003077.db2.gz YJPVJAMFWMBLTC-SFYZADRCSA-N -1 0 355.305 -0.538 20 0 FBADRM Cc1n[nH]c(C(=O)NC2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c1[O-] ZINC000990865392 660003640 /nfs/dbraw/zinc/00/36/40/660003640.db2.gz PIWWIGIYQRQFDO-NURSFMCSSA-N -1 0 350.375 -0.584 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)N[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2 ZINC000991121214 660034773 /nfs/dbraw/zinc/03/47/73/660034773.db2.gz SHQRFJYYMXAPFV-DZJQYVJYSA-N -1 0 351.407 -0.073 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)N[C@]12CCC[C@@H]1N(Cc1n[nH]c(=O)[n-]1)CC2 ZINC000991121215 660034695 /nfs/dbraw/zinc/03/46/95/660034695.db2.gz SHQRFJYYMXAPFV-GPMKHBRKSA-N -1 0 351.407 -0.073 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)N[C@@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2 ZINC000991121216 660034649 /nfs/dbraw/zinc/03/46/49/660034649.db2.gz SHQRFJYYMXAPFV-NGOBNIPXSA-N -1 0 351.407 -0.073 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)N[C@@]12CCC[C@@H]1N(Cc1n[nH]c(=O)[n-]1)CC2 ZINC000991121217 660034726 /nfs/dbraw/zinc/03/47/26/660034726.db2.gz SHQRFJYYMXAPFV-XALPAYFRSA-N -1 0 351.407 -0.073 20 0 FBADRM Cc1n[nH]c(C(=O)NCC2CC(NC(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000992040972 660113572 /nfs/dbraw/zinc/11/35/72/660113572.db2.gz ZLBCDBCKKQUTPD-WCDMZKEKSA-N -1 0 352.391 -0.148 20 0 FBADRM CC(C)[C@@H]1CCO[C@@H]1C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000992045448 660113545 /nfs/dbraw/zinc/11/35/45/660113545.db2.gz DZPHLVROBJOQFJ-JQWIXIFHSA-N -1 0 353.379 -0.923 20 0 FBADRM CC(C)[C@@H]1CCO[C@@H]1C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000992047941 660113521 /nfs/dbraw/zinc/11/35/21/660113521.db2.gz WDMKYHMRCQZLIA-ONGXEEELSA-N -1 0 351.363 -0.716 20 0 FBADRM Cc1n[nH]c(C(=O)NC2CC(CNC(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC000992205647 660115779 /nfs/dbraw/zinc/11/57/79/660115779.db2.gz ISXLBIKAKPCVJS-WCDMZKEKSA-N -1 0 352.391 -0.148 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC2CC(CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC000992248818 660116978 /nfs/dbraw/zinc/11/69/78/660116978.db2.gz ARQKAWQZWPXTCY-SEZDTBSWSA-N -1 0 351.363 -0.525 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NC1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000992253117 660117236 /nfs/dbraw/zinc/11/72/36/660117236.db2.gz RPKBPUAPPWGGKZ-BBRNTIAVSA-N -1 0 351.363 -0.668 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NCC1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000992410809 660119192 /nfs/dbraw/zinc/11/91/92/660119192.db2.gz UZRVJQFMXZHVNP-QARRAHMOSA-N -1 0 353.379 -0.875 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NCC1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000992416675 660119560 /nfs/dbraw/zinc/11/95/60/660119560.db2.gz CRPWCXDYFPZXEB-BBRNTIAVSA-N -1 0 351.363 -0.668 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NCC2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)O1 ZINC000992437517 660120096 /nfs/dbraw/zinc/12/00/96/660120096.db2.gz JXAULTXVTJGFMW-AGVGLQIMSA-N -1 0 353.379 -0.732 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NCC2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC000992438405 660120122 /nfs/dbraw/zinc/12/01/22/660120122.db2.gz KPXGXYYQKPJBIL-SEZDTBSWSA-N -1 0 351.363 -0.525 20 0 FBADRM CC(C)(F)C(=O)N1C[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@]2(C)C1 ZINC000992482081 660121390 /nfs/dbraw/zinc/12/13/90/660121390.db2.gz RCZHOHFPNWXQPD-GLEZIHRCSA-N -1 0 353.354 -0.049 20 0 FBADRM CC(C)(F)C(=O)N1C[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@]2(C)C1 ZINC000992493447 660121583 /nfs/dbraw/zinc/12/15/83/660121583.db2.gz PIIQILIRWOJVRG-PSLIRLAXSA-N -1 0 355.370 -0.256 20 0 FBADRM CC(F)(F)C(=O)N1C[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@]2(C)C1 ZINC000992496102 660121494 /nfs/dbraw/zinc/12/14/94/660121494.db2.gz KJKYMPIMLYKLDO-OQPBUACISA-N -1 0 359.333 -0.349 20 0 FBADRM CC(F)(F)C(=O)N1C[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@]2(C)C1 ZINC000992498641 660121754 /nfs/dbraw/zinc/12/17/54/660121754.db2.gz ZRRBATHDDNDIJY-UHLUBPPHSA-N -1 0 357.317 -0.142 20 0 FBADRM COCC(=O)N1C[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@@]2(C)C1 ZINC000992505301 660122193 /nfs/dbraw/zinc/12/21/93/660122193.db2.gz QEYXUFYRCGSEDQ-MGPLVRAMSA-N -1 0 350.375 -0.947 20 0 FBADRM CSCC(=O)N1C[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@]2(C)C1 ZINC000992553210 660123685 /nfs/dbraw/zinc/12/36/85/660123685.db2.gz CZJRCZPARXONQD-RMLUDKJBSA-N -1 0 353.404 -0.434 20 0 FBADRM CSCC(=O)N1C[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@]2(C)C1 ZINC000992555931 660123717 /nfs/dbraw/zinc/12/37/17/660123717.db2.gz DXUXIBHISHLODB-OTYXRUKQSA-N -1 0 355.420 -0.641 20 0 FBADRM CSCC(=O)N1C[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@@]2(C)C1 ZINC000992564659 660124387 /nfs/dbraw/zinc/12/43/87/660124387.db2.gz UQCWNYYYVCDWJT-MGPLVRAMSA-N -1 0 366.443 -0.231 20 0 FBADRM CS[C@H](C)C(=O)N1C[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@]2(C)C1 ZINC000992628400 660126754 /nfs/dbraw/zinc/12/67/54/660126754.db2.gz BJQXVJBGTFLZBY-FCHSOHFDSA-N -1 0 369.447 -0.252 20 0 FBADRM CS[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@]2(C)C1 ZINC000992628405 660127010 /nfs/dbraw/zinc/12/70/10/660127010.db2.gz BJQXVJBGTFLZBY-WMFXKJRFSA-N -1 0 369.447 -0.252 20 0 FBADRM CS[C@H](C)C(=O)N1C[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@]2(C)C1 ZINC000992638644 660127506 /nfs/dbraw/zinc/12/75/06/660127506.db2.gz WMAGPHUCHXGASS-CEFVDNRUSA-N -1 0 367.431 -0.045 20 0 FBADRM CS[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@]2(C)C1 ZINC000992638654 660127482 /nfs/dbraw/zinc/12/74/82/660127482.db2.gz WMAGPHUCHXGASS-KOSWAMCASA-N -1 0 367.431 -0.045 20 0 FBADRM CO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@]2(C)C1 ZINC000992656053 660128402 /nfs/dbraw/zinc/12/84/02/660128402.db2.gz MJXHJFYAPVASHT-CEFVDNRUSA-N -1 0 351.363 -0.762 20 0 FBADRM CO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@]2(C)C1 ZINC000992656055 660128451 /nfs/dbraw/zinc/12/84/51/660128451.db2.gz MJXHJFYAPVASHT-KOSWAMCASA-N -1 0 351.363 -0.762 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3CN(C(=O)CS(C)(=O)=O)C[C@]3(C)C2)c1[O-] ZINC000992656129 660128399 /nfs/dbraw/zinc/12/83/99/660128399.db2.gz XMSMRSKUYFCRHZ-ZUZCIYMTSA-N -1 0 370.431 -0.611 20 0 FBADRM CO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@]2(C)C1 ZINC000992658971 660128439 /nfs/dbraw/zinc/12/84/39/660128439.db2.gz ZJRQKWAOUNWYKP-FCHSOHFDSA-N -1 0 353.379 -0.969 20 0 FBADRM CO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@]2(C)C1 ZINC000992658974 660128334 /nfs/dbraw/zinc/12/83/34/660128334.db2.gz ZJRQKWAOUNWYKP-WMFXKJRFSA-N -1 0 353.379 -0.969 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CN(C(=O)CS(C)(=O)=O)C[C@@]3(C)C2)c1[O-] ZINC000992799089 660131692 /nfs/dbraw/zinc/13/16/92/660131692.db2.gz XMSMRSKUYFCRHZ-BMIGLBTASA-N -1 0 370.431 -0.611 20 0 FBADRM C[C@@]12CN(C(=O)CS(C)(=O)=O)C[C@@H]1CN(C(=O)c1ncccc1O)C2 ZINC000992813458 660132295 /nfs/dbraw/zinc/13/22/95/660132295.db2.gz KYLQTXVLWKUVLU-BZNIZROVSA-N -1 0 367.427 -0.248 20 0 FBADRM CSCC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@]2(C)C1 ZINC000993182568 660146883 /nfs/dbraw/zinc/14/68/83/660146883.db2.gz CZJRCZPARXONQD-CLAHSXSESA-N -1 0 353.404 -0.434 20 0 FBADRM CC[C@H](F)C(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@]2(C)C1 ZINC000993184115 660146859 /nfs/dbraw/zinc/14/68/59/660146859.db2.gz JZUOFDKSSONOOJ-OLBFVZFUSA-N -1 0 353.354 -0.049 20 0 FBADRM CC[C@@H](F)C(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@]2(C)C1 ZINC000993184117 660146892 /nfs/dbraw/zinc/14/68/92/660146892.db2.gz JZUOFDKSSONOOJ-XWRVAKJBSA-N -1 0 353.354 -0.049 20 0 FBADRM CO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@]2(C)C1 ZINC000993184537 660146884 /nfs/dbraw/zinc/14/68/84/660146884.db2.gz MJXHJFYAPVASHT-QQXLSSBLSA-N -1 0 351.363 -0.762 20 0 FBADRM CO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@]2(C)C1 ZINC000993184541 660146850 /nfs/dbraw/zinc/14/68/50/660146850.db2.gz MJXHJFYAPVASHT-XWRVAKJBSA-N -1 0 351.363 -0.762 20 0 FBADRM CC(C)(F)C(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@]2(C)C1 ZINC000993186082 660147003 /nfs/dbraw/zinc/14/70/03/660147003.db2.gz RCZHOHFPNWXQPD-VXJOIVPMSA-N -1 0 353.354 -0.049 20 0 FBADRM CS[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@]2(C)C1 ZINC000993187004 660147053 /nfs/dbraw/zinc/14/70/53/660147053.db2.gz WMAGPHUCHXGASS-QQXLSSBLSA-N -1 0 367.431 -0.045 20 0 FBADRM CS[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@]2(C)C1 ZINC000993187008 660147016 /nfs/dbraw/zinc/14/70/16/660147016.db2.gz WMAGPHUCHXGASS-XWRVAKJBSA-N -1 0 367.431 -0.045 20 0 FBADRM CC(F)(F)C(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@]2(C)C1 ZINC000993187759 660147050 /nfs/dbraw/zinc/14/70/50/660147050.db2.gz ZRRBATHDDNDIJY-WPPNPWJKSA-N -1 0 357.317 -0.142 20 0 FBADRM CS[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@]2(C)C1 ZINC000993201059 660150074 /nfs/dbraw/zinc/15/00/74/660150074.db2.gz BJQXVJBGTFLZBY-AMJWSMQMSA-N -1 0 369.447 -0.252 20 0 FBADRM CS[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@]2(C)C1 ZINC000993201063 660150066 /nfs/dbraw/zinc/15/00/66/660150066.db2.gz BJQXVJBGTFLZBY-HFBDOXOYSA-N -1 0 369.447 -0.252 20 0 FBADRM CC[C@H](F)C(=O)N1C[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@]2(C)C1 ZINC000993201274 660149743 /nfs/dbraw/zinc/14/97/43/660149743.db2.gz DSTKXWLSHYPOHN-AMJWSMQMSA-N -1 0 355.370 -0.256 20 0 FBADRM CC[C@@H](F)C(=O)N1C[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@]2(C)C1 ZINC000993201276 660149801 /nfs/dbraw/zinc/14/98/01/660149801.db2.gz DSTKXWLSHYPOHN-FEUHOPSXSA-N -1 0 355.370 -0.256 20 0 FBADRM CSCC(=O)N1C[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@]2(C)C1 ZINC000993202018 660150080 /nfs/dbraw/zinc/15/00/80/660150080.db2.gz DXUXIBHISHLODB-LKFCYVNXSA-N -1 0 355.420 -0.641 20 0 FBADRM CC(F)(F)C(=O)N1C[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@]2(C)C1 ZINC000993203277 660150547 /nfs/dbraw/zinc/15/05/47/660150547.db2.gz KJKYMPIMLYKLDO-ISVAXAHUSA-N -1 0 359.333 -0.349 20 0 FBADRM CC(C)(F)C(=O)N1C[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@]2(C)C1 ZINC000993204385 660150637 /nfs/dbraw/zinc/15/06/37/660150637.db2.gz PIIQILIRWOJVRG-BJOHPYRUSA-N -1 0 355.370 -0.256 20 0 FBADRM CO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@]2(C)C1 ZINC000993206113 660150790 /nfs/dbraw/zinc/15/07/90/660150790.db2.gz ZJRQKWAOUNWYKP-AMJWSMQMSA-N -1 0 353.379 -0.969 20 0 FBADRM CO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@]2(C)C1 ZINC000993206116 660150759 /nfs/dbraw/zinc/15/07/59/660150759.db2.gz ZJRQKWAOUNWYKP-HFBDOXOYSA-N -1 0 353.379 -0.969 20 0 FBADRM COCC(=O)N1C[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@]2(C)C1 ZINC000993216167 660153811 /nfs/dbraw/zinc/15/38/11/660153811.db2.gz QEYXUFYRCGSEDQ-HWPZZCPQSA-N -1 0 350.375 -0.947 20 0 FBADRM CSCC(=O)N1C[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@]2(C)C1 ZINC000993216644 660154079 /nfs/dbraw/zinc/15/40/79/660154079.db2.gz UQCWNYYYVCDWJT-HWPZZCPQSA-N -1 0 366.443 -0.231 20 0 FBADRM CC[C@@H](F)C(=O)N1C[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@]2(C)C1 ZINC000993258022 660156406 /nfs/dbraw/zinc/15/64/06/660156406.db2.gz JZUOFDKSSONOOJ-IQMYEBEASA-N -1 0 353.354 -0.049 20 0 FBADRM CC[C@H](F)C(=O)N1C[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@]2(C)C1 ZINC000993258024 660156443 /nfs/dbraw/zinc/15/64/43/660156443.db2.gz JZUOFDKSSONOOJ-KOSWAMCASA-N -1 0 353.354 -0.049 20 0 FBADRM CC[C@@H](F)C(=O)N1C[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@]2(C)C1 ZINC000993263286 660156572 /nfs/dbraw/zinc/15/65/72/660156572.db2.gz DSTKXWLSHYPOHN-FCHSOHFDSA-N -1 0 355.370 -0.256 20 0 FBADRM CC[C@H](F)C(=O)N1C[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@]2(C)C1 ZINC000993263288 660156643 /nfs/dbraw/zinc/15/66/43/660156643.db2.gz DSTKXWLSHYPOHN-FTGAXOIBSA-N -1 0 355.370 -0.256 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC000993724891 660168677 /nfs/dbraw/zinc/16/86/77/660168677.db2.gz IDAGDIIWQBNCTF-BBBLOLIVSA-N -1 0 351.363 -0.714 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1CNC(=O)[C@H]1CCCO1 ZINC000993724893 660168724 /nfs/dbraw/zinc/16/87/24/660168724.db2.gz IDAGDIIWQBNCTF-OPRDCNLKSA-N -1 0 351.363 -0.714 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(=O)[C@H]1CCCO1 ZINC000993725636 660168699 /nfs/dbraw/zinc/16/86/99/660168699.db2.gz JKGZOTHPMGSEMW-GMTAPVOTSA-N -1 0 353.379 -0.921 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC000993725638 660168679 /nfs/dbraw/zinc/16/86/79/660168679.db2.gz JKGZOTHPMGSEMW-MXWKQRLJSA-N -1 0 353.379 -0.921 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](CNC(=O)[C@@H]3COCCO3)[C@H](C)C2)c1[O-] ZINC000993768206 660169569 /nfs/dbraw/zinc/16/95/69/660169569.db2.gz WGIGNDMMXDTOTE-JLLWLGSASA-N -1 0 352.391 -0.337 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](CNC(=O)[C@H]3COCCO3)[C@H](C)C2)c1[O-] ZINC000993768214 660169579 /nfs/dbraw/zinc/16/95/79/660169579.db2.gz WGIGNDMMXDTOTE-YUSALJHKSA-N -1 0 352.391 -0.337 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1CNC(=O)c1cnsn1 ZINC000993781788 660169758 /nfs/dbraw/zinc/16/97/58/660169758.db2.gz AKFSSYIWUSOFGI-RNFRBKRXSA-N -1 0 365.375 -0.728 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(=O)c1cnsn1 ZINC000993782078 660169688 /nfs/dbraw/zinc/16/96/88/660169688.db2.gz FMSFWGPNRTYAGW-HTQZYQBOSA-N -1 0 367.391 -0.935 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(=O)c1cnns1 ZINC000993790036 660168958 /nfs/dbraw/zinc/16/89/58/660168958.db2.gz QACZOTSKQRTPPJ-HTQZYQBOSA-N -1 0 367.391 -0.935 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(=O)c1cncs1 ZINC000993793042 660169119 /nfs/dbraw/zinc/16/91/19/660169119.db2.gz CASONILKHDWYTE-RKDXNWHRSA-N -1 0 366.403 -0.330 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1CNC(=O)c1cnns1 ZINC000993793881 660169158 /nfs/dbraw/zinc/16/91/58/660169158.db2.gz GTOONLHAXAULGT-RNFRBKRXSA-N -1 0 365.375 -0.728 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(=O)c1ccon1 ZINC000993795493 660171215 /nfs/dbraw/zinc/17/12/15/660171215.db2.gz TXXHOSMUABXBAC-RKDXNWHRSA-N -1 0 350.335 -0.798 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1CNC(=O)c1cncs1 ZINC000993798183 660170134 /nfs/dbraw/zinc/17/01/34/660170134.db2.gz APRDKBFXYAIIRB-HTQZYQBOSA-N -1 0 364.387 -0.123 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1CNC(=O)c1cscn1 ZINC000993817648 660170618 /nfs/dbraw/zinc/17/06/18/660170618.db2.gz OMGICELSCXXKQP-HTQZYQBOSA-N -1 0 364.387 -0.123 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1CNC(=O)[C@H]1CCOC1 ZINC000993817792 660170901 /nfs/dbraw/zinc/17/09/01/660170901.db2.gz VAEYQQASWSCFCL-KXUCPTDWSA-N -1 0 351.363 -0.856 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC000993817797 660170868 /nfs/dbraw/zinc/17/08/68/660170868.db2.gz VAEYQQASWSCFCL-OPRDCNLKSA-N -1 0 351.363 -0.856 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(=O)c1cscn1 ZINC000993818955 660170887 /nfs/dbraw/zinc/17/08/87/660170887.db2.gz VDHJFLMVPQAYQM-RKDXNWHRSA-N -1 0 366.403 -0.330 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(=O)c1cocn1 ZINC000993823644 660170881 /nfs/dbraw/zinc/17/08/81/660170881.db2.gz PQHXZUALINVNAT-RKDXNWHRSA-N -1 0 350.335 -0.798 20 0 FBADRM CC1CC(C(=O)NC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C)C1 ZINC000993878496 660171712 /nfs/dbraw/zinc/17/17/12/660171712.db2.gz GZVYLYIAMITOCT-RUJICJSRSA-N -1 0 351.407 -0.054 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC000993903317 660172114 /nfs/dbraw/zinc/17/21/14/660172114.db2.gz JDNLNSBWAVCWBU-GMTAPVOTSA-N -1 0 351.407 -0.054 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC000993903318 660172164 /nfs/dbraw/zinc/17/21/64/660172164.db2.gz JDNLNSBWAVCWBU-MXWKQRLJSA-N -1 0 351.407 -0.054 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3COCCO3)C[C@H]2C)c1[O-] ZINC000993906176 660172397 /nfs/dbraw/zinc/17/23/97/660172397.db2.gz KQGNFKNMMZIWDG-JLLWLGSASA-N -1 0 352.391 -0.337 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)[C@H]3COCCO3)C[C@H]2C)c1[O-] ZINC000993906177 660172376 /nfs/dbraw/zinc/17/23/76/660172376.db2.gz KQGNFKNMMZIWDG-YUSALJHKSA-N -1 0 352.391 -0.337 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]2C)c1[O-] ZINC000993908631 660172390 /nfs/dbraw/zinc/17/23/90/660172390.db2.gz UXHPFNHKLXFBIE-PSASIEDQSA-N -1 0 358.420 -0.707 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@H]2C)c1[O-] ZINC000993911376 660172598 /nfs/dbraw/zinc/17/25/98/660172598.db2.gz HHSDPJYEFOOPJU-PSASIEDQSA-N -1 0 351.407 -0.240 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]2C)c1[O-] ZINC000993914025 660172610 /nfs/dbraw/zinc/17/26/10/660172610.db2.gz WWHCYISGSRWJNV-PSASIEDQSA-N -1 0 370.431 -0.707 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C)c1[O-] ZINC000993914033 660172592 /nfs/dbraw/zinc/17/25/92/660172592.db2.gz WXEXFRXYIGZTNI-QNSHHTMESA-N -1 0 351.363 -0.644 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C)c1[O-] ZINC000993914036 660172604 /nfs/dbraw/zinc/17/26/04/660172604.db2.gz WXEXFRXYIGZTNI-SZEHBUNVSA-N -1 0 351.363 -0.644 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](CNC(=O)[C@@H]3COC(=O)N3)[C@H](C)C2)c1[O-] ZINC000993958086 660172829 /nfs/dbraw/zinc/17/28/29/660172829.db2.gz KGBZUHIGVOEWDH-QNSHHTMESA-N -1 0 351.363 -0.644 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](CNC(=O)[C@H]3COC(=O)N3)[C@H](C)C2)c1[O-] ZINC000993958089 660172792 /nfs/dbraw/zinc/17/27/92/660172792.db2.gz KGBZUHIGVOEWDH-SZEHBUNVSA-N -1 0 351.363 -0.644 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1CNC(=O)[C@H]1CC1(F)F ZINC000993976216 660173762 /nfs/dbraw/zinc/17/37/62/660173762.db2.gz AJYLWSMVYOODII-BWZBUEFSSA-N -1 0 357.317 -0.238 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1CNC(=O)[C@@H]1CC1(F)F ZINC000993976218 660173768 /nfs/dbraw/zinc/17/37/68/660173768.db2.gz AJYLWSMVYOODII-PRJMDXOYSA-N -1 0 357.317 -0.238 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(=O)[C@@H]1CC1(F)F ZINC000993988294 660174009 /nfs/dbraw/zinc/17/40/09/660174009.db2.gz DNICNMBVGVVTBL-HLTSFMKQSA-N -1 0 359.333 -0.445 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(=O)[C@H]1CC1(F)F ZINC000993988297 660173996 /nfs/dbraw/zinc/17/39/96/660173996.db2.gz DNICNMBVGVVTBL-IWSPIJDZSA-N -1 0 359.333 -0.445 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](CNC(=O)C3CS(=O)(=O)C3)[C@H](C)C2)c1[O-] ZINC000994050681 660175291 /nfs/dbraw/zinc/17/52/91/660175291.db2.gz KBRSWLHJIAEHJX-PSASIEDQSA-N -1 0 370.431 -0.707 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1CNC(=O)c1ccns1 ZINC000994109335 660177267 /nfs/dbraw/zinc/17/72/67/660177267.db2.gz DMTZDALUYFTNEQ-HTQZYQBOSA-N -1 0 364.387 -0.123 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(=O)c1ccns1 ZINC000994111557 660177348 /nfs/dbraw/zinc/17/73/48/660177348.db2.gz XLCWKDCDNJYIBQ-RKDXNWHRSA-N -1 0 366.403 -0.330 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(=O)c1ccsn1 ZINC000994191103 660178164 /nfs/dbraw/zinc/17/81/64/660178164.db2.gz QBSCSXAHYHVLCR-RKDXNWHRSA-N -1 0 366.403 -0.330 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1CNC(=O)c1ccsn1 ZINC000994196235 660178125 /nfs/dbraw/zinc/17/81/25/660178125.db2.gz QTYRUOJWNDNWRS-HTQZYQBOSA-N -1 0 364.387 -0.123 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(=O)c1csnn1 ZINC000994339115 660183279 /nfs/dbraw/zinc/18/32/79/660183279.db2.gz FHSIFORWKFCETD-HTQZYQBOSA-N -1 0 367.391 -0.935 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1CNC(=O)c1csnn1 ZINC000994341053 660183749 /nfs/dbraw/zinc/18/37/49/660183749.db2.gz WDUXKZXRZKTIRU-RNFRBKRXSA-N -1 0 365.375 -0.728 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(=O)c1cnco1 ZINC000994344143 660183526 /nfs/dbraw/zinc/18/35/26/660183526.db2.gz IHXGBHZJXDEXMN-RKDXNWHRSA-N -1 0 350.335 -0.798 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000994346033 660183531 /nfs/dbraw/zinc/18/35/31/660183531.db2.gz BETQVUIIFUUKEZ-OPRDCNLKSA-N -1 0 351.363 -0.714 20 0 FBADRM C[C@@H]1CN(C(=O)c2ccsn2)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000994347420 660183518 /nfs/dbraw/zinc/18/35/18/660183518.db2.gz KUNIEMNQYWWARJ-HTQZYQBOSA-N -1 0 364.387 -0.123 20 0 FBADRM C[C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000994350147 660183535 /nfs/dbraw/zinc/18/35/35/660183535.db2.gz ZEWGFFZEBFHDAN-RKDXNWHRSA-N -1 0 353.354 -0.143 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000994350216 660183747 /nfs/dbraw/zinc/18/37/47/660183747.db2.gz BCYXNHPWQDICHD-KXUCPTDWSA-N -1 0 351.363 -0.856 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000994350220 660183759 /nfs/dbraw/zinc/18/37/59/660183759.db2.gz BCYXNHPWQDICHD-OPRDCNLKSA-N -1 0 351.363 -0.856 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000994350222 660183679 /nfs/dbraw/zinc/18/36/79/660183679.db2.gz BETQVUIIFUUKEZ-BBBLOLIVSA-N -1 0 351.363 -0.714 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnns2)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000994351210 660183667 /nfs/dbraw/zinc/18/36/67/660183667.db2.gz GUBCUOKDZAFXNA-RNFRBKRXSA-N -1 0 365.375 -0.728 20 0 FBADRM C[C@@H]1CN(C(=O)c2ccns2)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000994351350 660183762 /nfs/dbraw/zinc/18/37/62/660183762.db2.gz KKUVNLIWUDKFDU-HTQZYQBOSA-N -1 0 364.387 -0.123 20 0 FBADRM CS[C@@H](C)C(=O)N1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC000994351354 660183740 /nfs/dbraw/zinc/18/37/40/660183740.db2.gz KLCIYMDAHNRCKJ-HRDYMLBCSA-N -1 0 355.420 -0.141 20 0 FBADRM CS[C@H](C)C(=O)N1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC000994351357 660183755 /nfs/dbraw/zinc/18/37/55/660183755.db2.gz KLCIYMDAHNRCKJ-IWSPIJDZSA-N -1 0 355.420 -0.141 20 0 FBADRM C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000994351393 660183735 /nfs/dbraw/zinc/18/37/35/660183735.db2.gz KPXCDLWCNFHPNI-RKDXNWHRSA-N -1 0 353.379 -0.732 20 0 FBADRM C[C@@H]1CN(C(=O)c2csnn2)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000994352000 660183672 /nfs/dbraw/zinc/18/36/72/660183672.db2.gz LCWQFXCSAKQICZ-RNFRBKRXSA-N -1 0 365.375 -0.728 20 0 FBADRM C[C@@H]1CN(C(=O)c2cncs2)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000994352076 660183753 /nfs/dbraw/zinc/18/37/53/660183753.db2.gz NAYWUHQVBQXGIB-HTQZYQBOSA-N -1 0 364.387 -0.123 20 0 FBADRM C[C@@H]1CN(C(=O)c2cscn2)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000994353053 660183754 /nfs/dbraw/zinc/18/37/54/660183754.db2.gz RLVZQBWCUWWOHS-HTQZYQBOSA-N -1 0 364.387 -0.123 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2CC2(F)F)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000994354159 660183752 /nfs/dbraw/zinc/18/37/52/660183752.db2.gz VTYMMOIPZMHPRW-BWZBUEFSSA-N -1 0 357.317 -0.238 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000994354162 660183758 /nfs/dbraw/zinc/18/37/58/660183758.db2.gz VTYMMOIPZMHPRW-PRJMDXOYSA-N -1 0 357.317 -0.238 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000994354171 660183761 /nfs/dbraw/zinc/18/37/61/660183761.db2.gz VVJILRCTXQNIIO-RNFRBKRXSA-N -1 0 365.375 -0.728 20 0 FBADRM CC[C@H](OC)C(=O)N1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC000994354177 660183737 /nfs/dbraw/zinc/18/37/37/660183737.db2.gz VVRVUGMYETYFPQ-BBBLOLIVSA-N -1 0 353.379 -0.468 20 0 FBADRM CC[C@@H](OC)C(=O)N1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC000994354180 660183734 /nfs/dbraw/zinc/18/37/34/660183734.db2.gz VVRVUGMYETYFPQ-OPRDCNLKSA-N -1 0 353.379 -0.468 20 0 FBADRM C[C@@H]1CN(C(=O)c2nccs2)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000994354269 660183683 /nfs/dbraw/zinc/18/36/83/660183683.db2.gz XOLUONJKTVQDRU-HTQZYQBOSA-N -1 0 364.387 -0.123 20 0 FBADRM CC(C)[C@@H](O)C(=O)N1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC000994354358 660183726 /nfs/dbraw/zinc/18/37/26/660183726.db2.gz YYNDGIOJBFKRLG-FXPVBKGRSA-N -1 0 353.379 -0.876 20 0 FBADRM CO[C@H](C)C(=O)N1C[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)[C@H](C)C1 ZINC000994401424 660185579 /nfs/dbraw/zinc/18/55/79/660185579.db2.gz GSALWVMAARXNNP-GMTAPVOTSA-N -1 0 352.391 -0.655 20 0 FBADRM CO[C@@H](C)C(=O)N1C[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)[C@H](C)C1 ZINC000994401426 660185599 /nfs/dbraw/zinc/18/55/99/660185599.db2.gz GSALWVMAARXNNP-OUAUKWLOSA-N -1 0 352.391 -0.655 20 0 FBADRM C[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000994401435 660185586 /nfs/dbraw/zinc/18/55/86/660185586.db2.gz GWWXINYFBDGCME-RKDXNWHRSA-N -1 0 358.345 -0.035 20 0 FBADRM CSCC(=O)N1C[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)[C@H](C)C1 ZINC000994402633 660185573 /nfs/dbraw/zinc/18/55/73/660185573.db2.gz UBRPJXSVGPRDHN-NXEZZACHSA-N -1 0 354.432 -0.327 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(=O)c1nccs1 ZINC000994498808 660189250 /nfs/dbraw/zinc/18/92/50/660189250.db2.gz BQBASPSXXXIWRN-RKDXNWHRSA-N -1 0 366.403 -0.330 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1CNC(=O)c1nccs1 ZINC000994501554 660189268 /nfs/dbraw/zinc/18/92/68/660189268.db2.gz WFCMRHCIUUHRDB-HTQZYQBOSA-N -1 0 364.387 -0.123 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC000994661902 660207852 /nfs/dbraw/zinc/20/78/52/660207852.db2.gz FTCKWSTXQOWOLE-DDHJBXDOSA-N -1 0 351.407 -0.054 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000994818508 660218479 /nfs/dbraw/zinc/21/84/79/660218479.db2.gz SGYVUFQWSTVSLT-SKDRFNHKSA-N -1 0 350.375 -0.758 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC000994876163 660226506 /nfs/dbraw/zinc/22/65/06/660226506.db2.gz ZFEZOGRMEUYOGG-WDEREUQCSA-N -1 0 363.399 -0.119 20 0 FBADRM COCC(=O)N1CC[C@@]2(CNC(=O)c3n[nH]c(=O)[n-]c3=O)CCC[C@@H]12 ZINC000995357806 660312632 /nfs/dbraw/zinc/31/26/32/660312632.db2.gz QAPSKEWLCLIRAT-RFAUZJTJSA-N -1 0 351.363 -0.570 20 0 FBADRM CCC(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])[C@H]2CS(=O)(=O)C[C@H]21 ZINC000995421999 660320953 /nfs/dbraw/zinc/32/09/53/660320953.db2.gz VTUDGJGZWKDZEK-ZJUUUORDSA-N -1 0 356.404 -0.716 20 0 FBADRM CCCC(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])[C@H]2CS(=O)(=O)C[C@H]21 ZINC000995430141 660325769 /nfs/dbraw/zinc/32/57/69/660325769.db2.gz AFOXDOIJXFQIPY-MNOVXSKESA-N -1 0 370.431 -0.326 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)C3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1[O-] ZINC000995432767 660326726 /nfs/dbraw/zinc/32/67/26/660326726.db2.gz UDBCPVSZFYSUHM-MNOVXSKESA-N -1 0 368.415 -0.716 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1[O-] ZINC000995435005 660328014 /nfs/dbraw/zinc/32/80/14/660328014.db2.gz XUXFBHJSWJDJOO-MNOVXSKESA-N -1 0 370.431 -0.470 20 0 FBADRM CCCC(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000995438361 660330065 /nfs/dbraw/zinc/33/00/65/660330065.db2.gz AFOXDOIJXFQIPY-WDEREUQCSA-N -1 0 370.431 -0.326 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)C3CC3)[C@H]3CS(=O)(=O)C[C@H]32)c1[O-] ZINC000995441752 660331731 /nfs/dbraw/zinc/33/17/31/660331731.db2.gz UDBCPVSZFYSUHM-WDEREUQCSA-N -1 0 368.415 -0.716 20 0 FBADRM CCC(=O)N1CCN(C(=O)c2n[nH]c(C)c2[O-])[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000995442480 660332107 /nfs/dbraw/zinc/33/21/07/660332107.db2.gz VTUDGJGZWKDZEK-VHSXEESVSA-N -1 0 356.404 -0.716 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)C(C)C)[C@H]3CS(=O)(=O)C[C@H]32)c1[O-] ZINC000995442542 660332111 /nfs/dbraw/zinc/33/21/11/660332111.db2.gz XUXFBHJSWJDJOO-WDEREUQCSA-N -1 0 370.431 -0.470 20 0 FBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)F)C2 ZINC000995563734 660347267 /nfs/dbraw/zinc/34/72/67/660347267.db2.gz CRDCRQZUGSPKDK-YEPSODPASA-N -1 0 357.317 -0.271 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCO1)C2 ZINC000995697782 660354334 /nfs/dbraw/zinc/35/43/34/660354334.db2.gz TUWOAEIKCWBHCH-RCWTZXSCSA-N -1 0 351.363 -0.884 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCO1)C2 ZINC000995697785 660354342 /nfs/dbraw/zinc/35/43/42/660354342.db2.gz TUWOAEIKCWBHCH-VPOLOUISSA-N -1 0 351.363 -0.884 20 0 FBADRM Cc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2COCCO2)C3)c1[O-] ZINC000995798138 660357888 /nfs/dbraw/zinc/35/78/88/660357888.db2.gz SBACFHNOARGMLW-NOOOWODRSA-N -1 0 350.375 -0.299 20 0 FBADRM Cc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2COCCO2)C3)c1[O-] ZINC000995798144 660357955 /nfs/dbraw/zinc/35/79/55/660357955.db2.gz SBACFHNOARGMLW-RHYQMDGZSA-N -1 0 350.375 -0.299 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O)c1cnns1 ZINC000995829771 660358329 /nfs/dbraw/zinc/35/83/29/660358329.db2.gz WTPJWCMWHJOYSL-VQVTYTSYSA-N -1 0 363.359 -0.690 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnns1)C2 ZINC000995829902 660358370 /nfs/dbraw/zinc/35/83/70/660358370.db2.gz LSHVNZFZLXLFQY-CSMHCCOUSA-N -1 0 365.375 -0.897 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnsn1)C2 ZINC000995831984 660358381 /nfs/dbraw/zinc/35/83/81/660358381.db2.gz DSZWYHKGBKXKAJ-FJXKBIBVSA-N -1 0 365.375 -0.897 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O)c1cnsn1 ZINC000995833367 660358375 /nfs/dbraw/zinc/35/83/75/660358375.db2.gz FNZRHTMXGACIOV-CHKWXVPMSA-N -1 0 363.359 -0.690 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncs1)C2 ZINC000995848267 660358598 /nfs/dbraw/zinc/35/85/98/660358598.db2.gz QMONUIPYMSJWOZ-VGMNWLOBSA-N -1 0 364.387 -0.292 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O)c1cncs1 ZINC000995851610 660358608 /nfs/dbraw/zinc/35/86/08/660358608.db2.gz XGAIQROHVSJWIV-CSMHCCOUSA-N -1 0 362.371 -0.085 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O)c1cscn1 ZINC000995891664 660358734 /nfs/dbraw/zinc/35/87/34/660358734.db2.gz YYDQCRJUWBTHQA-FJXKBIBVSA-N -1 0 362.371 -0.085 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cscn1)C2 ZINC000995901935 660358682 /nfs/dbraw/zinc/35/86/82/660358682.db2.gz VDDDKWIOJHGHRO-WEDXCCLWSA-N -1 0 364.387 -0.292 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)S(C)(=O)=O)c1[O-] ZINC000996084562 660359234 /nfs/dbraw/zinc/35/92/34/660359234.db2.gz XFWVWMSNRLSHPK-VLEAKVRGSA-N -1 0 370.431 -0.281 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C)S(C)(=O)=O)c1[O-] ZINC000996084563 660359284 /nfs/dbraw/zinc/35/92/84/660359284.db2.gz XFWVWMSNRLSHPK-ZNSHCXBVSA-N -1 0 370.431 -0.281 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CS(C)(=O)=O)c1[O-] ZINC000996089040 660359231 /nfs/dbraw/zinc/35/92/31/660359231.db2.gz QUOYAJZBFAGBAS-UTLUCORTSA-N -1 0 356.404 -0.670 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2COCCO2)c1[O-] ZINC000996091520 660359233 /nfs/dbraw/zinc/35/92/33/660359233.db2.gz ZLUWQKKGOGWRSV-NOOOWODRSA-N -1 0 350.375 -0.299 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2COCCO2)c1[O-] ZINC000996091530 660359255 /nfs/dbraw/zinc/35/92/55/660359255.db2.gz ZLUWQKKGOGWRSV-RHYQMDGZSA-N -1 0 350.375 -0.299 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CS(=O)(=O)C2)c1[O-] ZINC000996093520 660359239 /nfs/dbraw/zinc/35/92/39/660359239.db2.gz KONVCYAHKLGIJT-VWYCJHECSA-N -1 0 368.415 -0.670 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CC1(F)F ZINC000996252247 660359886 /nfs/dbraw/zinc/35/98/86/660359886.db2.gz DBXHMNITHPJHBO-KVPKETBZSA-N -1 0 355.301 -0.200 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CC1(F)F ZINC000996252249 660359928 /nfs/dbraw/zinc/35/99/28/660359928.db2.gz DBXHMNITHPJHBO-NGJRWZKOSA-N -1 0 355.301 -0.200 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC1(F)F)C2 ZINC000996268870 660360112 /nfs/dbraw/zinc/36/01/12/660360112.db2.gz YZSUSUBRGRKIIR-HXFLIBJXSA-N -1 0 357.317 -0.407 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC1(F)F)C2 ZINC000996268872 660360041 /nfs/dbraw/zinc/36/00/41/660360041.db2.gz YZSUSUBRGRKIIR-XGEHTFHBSA-N -1 0 357.317 -0.407 20 0 FBADRM CC(C)[C@@H]1CCO[C@@H]1C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996753393 660367895 /nfs/dbraw/zinc/36/78/95/660367895.db2.gz IUVMSDCLNBIBRI-ONGXEEELSA-N -1 0 351.363 -0.716 20 0 FBADRM Cc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CS(=O)(=O)C2)C3)c1[O-] ZINC000996764967 660368422 /nfs/dbraw/zinc/36/84/22/660368422.db2.gz NZYQLVOPUXCTMZ-VWYCJHECSA-N -1 0 368.415 -0.670 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O)c1ccns1 ZINC000997178279 660393983 /nfs/dbraw/zinc/39/39/83/660393983.db2.gz NOMOYPLXLRLXJG-CSMHCCOUSA-N -1 0 362.371 -0.085 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccns1)C2 ZINC000997178702 660393844 /nfs/dbraw/zinc/39/38/44/660393844.db2.gz PXYYIAMTRVMZQY-VGMNWLOBSA-N -1 0 364.387 -0.292 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC000997258736 660394830 /nfs/dbraw/zinc/39/48/30/660394830.db2.gz UITMKFZWIHPOIF-WDEREUQCSA-N -1 0 363.399 -0.119 20 0 FBADRM CC(C)[C@@H]1CCO[C@@H]1C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997262093 660394958 /nfs/dbraw/zinc/39/49/58/660394958.db2.gz VYFPFYZXEJEHMV-JQWIXIFHSA-N -1 0 353.379 -0.923 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997361189 660395373 /nfs/dbraw/zinc/39/53/73/660395373.db2.gz MDHJPWHQYGCAHK-PWSUYJOCSA-N -1 0 350.375 -0.758 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997362024 660395098 /nfs/dbraw/zinc/39/50/98/660395098.db2.gz QZKZYOQDYLMZKR-SKDRFNHKSA-N -1 0 350.375 -0.758 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000997588132 660398026 /nfs/dbraw/zinc/39/80/26/660398026.db2.gz NGSSDOFPHNTFLR-PWSUYJOCSA-N -1 0 350.375 -0.758 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c1[O-] ZINC000997641935 660398226 /nfs/dbraw/zinc/39/82/26/660398226.db2.gz UDFNFCILANBYGV-NURSFMCSSA-N -1 0 350.375 -0.584 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsn1)C2 ZINC000997683507 660398768 /nfs/dbraw/zinc/39/87/68/660398768.db2.gz WUKAYXKAMWJDDI-JEZHCXPESA-N -1 0 364.387 -0.292 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O)c1ccsn1 ZINC000997687738 660398753 /nfs/dbraw/zinc/39/87/53/660398753.db2.gz XXJWRSYKFVGSJX-YEPSODPASA-N -1 0 362.371 -0.085 20 0 FBADRM CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000998124337 660402903 /nfs/dbraw/zinc/40/29/03/660402903.db2.gz FHZJTDPTGKHALP-TUAOUCFPSA-N -1 0 350.423 -0.165 20 0 FBADRM CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000998124344 660402892 /nfs/dbraw/zinc/40/28/92/660402892.db2.gz FHZJTDPTGKHALP-UTUOFQBUSA-N -1 0 350.423 -0.165 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O)c1csnn1 ZINC000998732013 660407728 /nfs/dbraw/zinc/40/77/28/660407728.db2.gz DQZMFTHEKRCBLK-CHKWXVPMSA-N -1 0 363.359 -0.690 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csnn1)C2 ZINC000998737352 660407717 /nfs/dbraw/zinc/40/77/17/660407717.db2.gz WSZLXRYDORQYIN-FJXKBIBVSA-N -1 0 365.375 -0.897 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cscn1)c1n[nH]c(=O)[n-]c1=O ZINC000998803795 660408195 /nfs/dbraw/zinc/40/81/95/660408195.db2.gz DPLSACOSBBMKFT-FJXKBIBVSA-N -1 0 362.371 -0.085 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnsn1)c1n[nH]c(=O)[n-]c1=O ZINC000998804747 660408209 /nfs/dbraw/zinc/40/82/09/660408209.db2.gz HSAMPEBKYLVOLB-CHKWXVPMSA-N -1 0 363.359 -0.690 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nccs1)c1n[nH]c(=O)[n-]c1=O ZINC000998805946 660408182 /nfs/dbraw/zinc/40/81/82/660408182.db2.gz MCLIGYNOCLBRJM-CSMHCCOUSA-N -1 0 362.371 -0.085 20 0 FBADRM CC(C)(O)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC000998805984 660408147 /nfs/dbraw/zinc/40/81/47/660408147.db2.gz NEUHZIPAKOTZGI-VGMNWLOBSA-N -1 0 351.363 -0.695 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC1(F)F)c1n[nH]c(=O)[n-]c1=O ZINC000998806557 660408215 /nfs/dbraw/zinc/40/82/15/660408215.db2.gz PNYHOKISBITJID-KVPKETBZSA-N -1 0 355.301 -0.200 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC1(F)F)c1n[nH]c(=O)[n-]c1=O ZINC000998806584 660408105 /nfs/dbraw/zinc/40/81/05/660408105.db2.gz PNYHOKISBITJID-NGJRWZKOSA-N -1 0 355.301 -0.200 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cncs1)c1n[nH]c(=O)[n-]c1=O ZINC000998806647 660408210 /nfs/dbraw/zinc/40/82/10/660408210.db2.gz QKZOBTXYVSAXIU-CSMHCCOUSA-N -1 0 362.371 -0.085 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnns1)c1n[nH]c(=O)[n-]c1=O ZINC000998806652 660408323 /nfs/dbraw/zinc/40/83/23/660408323.db2.gz QMVWOKQMJXNZGU-VQVTYTSYSA-N -1 0 363.359 -0.690 20 0 FBADRM CC[C@H](OC)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC000998807308 660408355 /nfs/dbraw/zinc/40/83/55/660408355.db2.gz UBSKMDBKGJAORW-KATARQTJSA-N -1 0 351.363 -0.431 20 0 FBADRM CC[C@@H](OC)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC000998807309 660408420 /nfs/dbraw/zinc/40/84/20/660408420.db2.gz UBSKMDBKGJAORW-XFWSIPNHSA-N -1 0 351.363 -0.431 20 0 FBADRM CS[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC000998807367 660408402 /nfs/dbraw/zinc/40/84/02/660408402.db2.gz VSFKOMWZXUHWER-HXFLIBJXSA-N -1 0 353.404 -0.104 20 0 FBADRM CS[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC000998807368 660408291 /nfs/dbraw/zinc/40/82/91/660408291.db2.gz VSFKOMWZXUHWER-KZVJFYERSA-N -1 0 353.404 -0.104 20 0 FBADRM CC(C)[C@@H](O)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC000998807998 660408336 /nfs/dbraw/zinc/40/83/36/660408336.db2.gz ZIXVYJLFDCDRGK-UYAYMFIHSA-N -1 0 351.363 -0.839 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccsn1)c1n[nH]c(=O)[n-]c1=O ZINC000998808086 660408437 /nfs/dbraw/zinc/40/84/37/660408437.db2.gz AEVZHPCHSGUBGO-YEPSODPASA-N -1 0 362.371 -0.085 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1csnn1)c1n[nH]c(=O)[n-]c1=O ZINC000998811403 660408362 /nfs/dbraw/zinc/40/83/62/660408362.db2.gz WAOVUXQGJUODQO-CHKWXVPMSA-N -1 0 363.359 -0.690 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccns1)c1n[nH]c(=O)[n-]c1=O ZINC000998812812 660408318 /nfs/dbraw/zinc/40/83/18/660408318.db2.gz GBWVHUGJSJNZIN-CSMHCCOUSA-N -1 0 362.371 -0.085 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(CF)CC1)c1n[nH]c(=O)[n-]c1=O ZINC000998813998 660408300 /nfs/dbraw/zinc/40/83/00/660408300.db2.gz LGXODXJGTCRYLJ-VGMNWLOBSA-N -1 0 351.338 -0.106 20 0 FBADRM CS[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC000999026813 660409147 /nfs/dbraw/zinc/40/91/47/660409147.db2.gz CHQYFFGLZHPICL-IMSYWVGJSA-N -1 0 355.420 -0.311 20 0 FBADRM CS[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC000999026816 660409104 /nfs/dbraw/zinc/40/91/04/660409104.db2.gz CHQYFFGLZHPICL-JXUBOQSCSA-N -1 0 355.420 -0.311 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnns1 ZINC000999027724 660409144 /nfs/dbraw/zinc/40/91/44/660409144.db2.gz FTNUANKXJWZIAL-CSMHCCOUSA-N -1 0 365.375 -0.897 20 0 FBADRM CC[C@H](OC)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC000999028987 660409126 /nfs/dbraw/zinc/40/91/26/660409126.db2.gz IXRRXANBIMIJRK-RCWTZXSCSA-N -1 0 353.379 -0.638 20 0 FBADRM CC[C@@H](OC)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC000999028994 660409128 /nfs/dbraw/zinc/40/91/28/660409128.db2.gz IXRRXANBIMIJRK-VPOLOUISSA-N -1 0 353.379 -0.638 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccsn1 ZINC000999029252 660409108 /nfs/dbraw/zinc/40/91/08/660409108.db2.gz MDEQFIUQXYOHPE-JEZHCXPESA-N -1 0 364.387 -0.292 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cscn1 ZINC000999030115 660409106 /nfs/dbraw/zinc/40/91/06/660409106.db2.gz NJZLMUGGNPPNFG-WEDXCCLWSA-N -1 0 364.387 -0.292 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cncs1 ZINC000999030134 660409110 /nfs/dbraw/zinc/40/91/10/660409110.db2.gz NLEDXLVDFZKAOW-VGMNWLOBSA-N -1 0 364.387 -0.292 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(CF)CC1 ZINC000999030184 660409160 /nfs/dbraw/zinc/40/91/60/660409160.db2.gz NVZOETKUTAPRCX-UTLUCORTSA-N -1 0 353.354 -0.313 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccns1 ZINC000999030233 660409124 /nfs/dbraw/zinc/40/91/24/660409124.db2.gz ONYVJXBWESJYRK-VGMNWLOBSA-N -1 0 364.387 -0.292 20 0 FBADRM CC(F)(F)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC000999030313 660409163 /nfs/dbraw/zinc/40/91/63/660409163.db2.gz PCPDIGDKBHJMMN-VGMNWLOBSA-N -1 0 359.333 -0.017 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCO1 ZINC000999030326 660409143 /nfs/dbraw/zinc/40/91/43/660409143.db2.gz PLBJMMZSQUKRKV-RCWTZXSCSA-N -1 0 351.363 -0.884 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCO1 ZINC000999030329 660409107 /nfs/dbraw/zinc/40/91/07/660409107.db2.gz PLBJMMZSQUKRKV-VPOLOUISSA-N -1 0 351.363 -0.884 20 0 FBADRM CC(C)(O)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC000999030863 660409151 /nfs/dbraw/zinc/40/91/51/660409151.db2.gz RBWLRGWECSCNKU-UTLUCORTSA-N -1 0 353.379 -0.902 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nccs1 ZINC000999030905 660409115 /nfs/dbraw/zinc/40/91/15/660409115.db2.gz SFVFRVXREZOYMZ-VGMNWLOBSA-N -1 0 364.387 -0.292 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnsn1 ZINC000999030926 660409150 /nfs/dbraw/zinc/40/91/50/660409150.db2.gz SUYUFMRQZSVMKQ-FJXKBIBVSA-N -1 0 365.375 -0.897 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC(F)(F)F ZINC000999031286 660409123 /nfs/dbraw/zinc/40/91/23/660409123.db2.gz WOOGAYAGIVOQFH-CSMHCCOUSA-N -1 0 363.296 -0.110 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC1(F)F ZINC000999031290 660409130 /nfs/dbraw/zinc/40/91/30/660409130.db2.gz WUDHIRIRQYSLRF-HXFLIBJXSA-N -1 0 357.317 -0.407 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC1(F)F ZINC000999031291 660409112 /nfs/dbraw/zinc/40/91/12/660409112.db2.gz WUDHIRIRQYSLRF-XGEHTFHBSA-N -1 0 357.317 -0.407 20 0 FBADRM CC(C)[C@@H](F)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC000999031527 660409154 /nfs/dbraw/zinc/40/91/54/660409154.db2.gz AYTKXLDACOEDPA-FYLLDIAZSA-N -1 0 355.370 -0.069 20 0 FBADRM CC(C)[C@H](F)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC000999031529 660409133 /nfs/dbraw/zinc/40/91/33/660409133.db2.gz AYTKXLDACOEDPA-WDCWCFNPSA-N -1 0 355.370 -0.069 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1csnn1 ZINC000999032163 660409572 /nfs/dbraw/zinc/40/95/72/660409572.db2.gz HFWSQEQNIAAVFB-FJXKBIBVSA-N -1 0 365.375 -0.897 20 0 FBADRM CO[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)C2 ZINC000999097275 660409580 /nfs/dbraw/zinc/40/95/80/660409580.db2.gz CRQPATMCVDVYLY-LSKIRQOJSA-N -1 0 350.375 -0.618 20 0 FBADRM CO[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)C2 ZINC000999097277 660409490 /nfs/dbraw/zinc/40/94/90/660409490.db2.gz CRQPATMCVDVYLY-QCMRWSPLSA-N -1 0 350.375 -0.618 20 0 FBADRM CSCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)C2 ZINC000999098160 660409564 /nfs/dbraw/zinc/40/95/64/660409564.db2.gz HGVMSVUVIQOHOE-MIMYLULJSA-N -1 0 352.416 -0.289 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccs1)C2 ZINC000999682907 660414185 /nfs/dbraw/zinc/41/41/85/660414185.db2.gz YKZOVNWEVVDSMA-VGMNWLOBSA-N -1 0 364.387 -0.292 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O)c1nccs1 ZINC000999682973 660414239 /nfs/dbraw/zinc/41/42/39/660414239.db2.gz AVFFNQXTFRNFHM-CSMHCCOUSA-N -1 0 362.371 -0.085 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC2CN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC001000325348 662392252 /nfs/dbraw/zinc/39/22/52/662392252.db2.gz GOMNMUJFWNEKIP-LDYMZIIASA-N -1 0 351.363 -0.890 20 0 FBADRM C[C@@H]1CN(C)C[C@H](C(=O)NCC2=CCN(Cc3n[nH]c(=O)[n-]3)CC2)O1 ZINC001000837524 662394877 /nfs/dbraw/zinc/39/48/77/662394877.db2.gz MGGOKUXSWRHLAG-DGCLKSJQSA-N -1 0 350.423 -0.522 20 0 FBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)F)C2 ZINC001000941135 662395479 /nfs/dbraw/zinc/39/54/79/662395479.db2.gz CRDCRQZUGSPKDK-VDAHYXPESA-N -1 0 357.317 -0.271 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCO1)C2 ZINC001001211581 662398204 /nfs/dbraw/zinc/39/82/04/662398204.db2.gz TUWOAEIKCWBHCH-CHWFTXMASA-N -1 0 351.363 -0.884 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCO1)C2 ZINC001001211582 662398172 /nfs/dbraw/zinc/39/81/72/662398172.db2.gz TUWOAEIKCWBHCH-ZNSHCXBVSA-N -1 0 351.363 -0.884 20 0 FBADRM C[C@H]1CC(=O)N[C@@H](C(=O)NCC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001001408783 662399608 /nfs/dbraw/zinc/39/96/08/662399608.db2.gz LPEZOODNKKXZJK-ZYHUDNBSSA-N -1 0 350.423 -0.247 20 0 FBADRM Cc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2COCCO2)C3)c1[O-] ZINC001001427370 662399517 /nfs/dbraw/zinc/39/95/17/662399517.db2.gz SBACFHNOARGMLW-WISYIIOYSA-N -1 0 350.375 -0.299 20 0 FBADRM Cc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2COCCO2)C3)c1[O-] ZINC001001427373 662399577 /nfs/dbraw/zinc/39/95/77/662399577.db2.gz SBACFHNOARGMLW-WYUUTHIRSA-N -1 0 350.375 -0.299 20 0 FBADRM Cc1n[nH]c(C(=O)NCC2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)c1[O-] ZINC001001454349 662400200 /nfs/dbraw/zinc/40/02/00/662400200.db2.gz YJPPOIYWORAIDY-BXKDBHETSA-N -1 0 351.407 -0.669 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O)c1cnsn1 ZINC001001487546 662400367 /nfs/dbraw/zinc/40/03/67/662400367.db2.gz FNZRHTMXGACIOV-JKMUOGBPSA-N -1 0 363.359 -0.690 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnsn1)C2 ZINC001001494890 662400439 /nfs/dbraw/zinc/40/04/39/662400439.db2.gz DSZWYHKGBKXKAJ-BHNWBGBOSA-N -1 0 365.375 -0.897 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnns1)C2 ZINC001001495439 662400499 /nfs/dbraw/zinc/40/04/99/662400499.db2.gz LSHVNZFZLXLFQY-PRJMDXOYSA-N -1 0 365.375 -0.897 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O)c1cnns1 ZINC001001497922 662400687 /nfs/dbraw/zinc/40/06/87/662400687.db2.gz WTPJWCMWHJOYSL-QYNIQEEDSA-N -1 0 363.359 -0.690 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncs1)C2 ZINC001001526306 662400957 /nfs/dbraw/zinc/40/09/57/662400957.db2.gz QMONUIPYMSJWOZ-HLTSFMKQSA-N -1 0 364.387 -0.292 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O)c1cncs1 ZINC001001527231 662400881 /nfs/dbraw/zinc/40/08/81/662400881.db2.gz XGAIQROHVSJWIV-PRJMDXOYSA-N -1 0 362.371 -0.085 20 0 FBADRM C[C@@H]1CN(C)C[C@H](C(=O)NCC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)O1 ZINC001001532469 662400922 /nfs/dbraw/zinc/40/09/22/662400922.db2.gz MWQRYXHJVGGWHF-DGCLKSJQSA-N -1 0 352.439 -0.442 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cscn1)C2 ZINC001001641790 660428764 /nfs/dbraw/zinc/42/87/64/660428764.db2.gz VDDDKWIOJHGHRO-MRTMQBJTSA-N -1 0 364.387 -0.292 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O)c1cscn1 ZINC001001642243 660428747 /nfs/dbraw/zinc/42/87/47/660428747.db2.gz YYDQCRJUWBTHQA-BHNWBGBOSA-N -1 0 362.371 -0.085 20 0 FBADRM CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001001797261 660431359 /nfs/dbraw/zinc/43/13/59/660431359.db2.gz HUYZVJKUNXYFTR-PWSUYJOCSA-N -1 0 351.363 -0.571 20 0 FBADRM CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001001797881 660431351 /nfs/dbraw/zinc/43/13/51/660431351.db2.gz MIKUOGJHHVKLNE-YPMHNXCESA-N -1 0 353.379 -0.779 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)NCC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001001842941 660433080 /nfs/dbraw/zinc/43/30/80/660433080.db2.gz WHAIQPPHEOVJLO-NEPJUHHUSA-N -1 0 350.423 -0.260 20 0 FBADRM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001001843266 660433045 /nfs/dbraw/zinc/43/30/45/660433045.db2.gz DXMCQHYAJSDKGY-NWDGAFQWSA-N -1 0 350.423 -0.437 20 0 FBADRM CC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001001859367 660433447 /nfs/dbraw/zinc/43/34/47/660433447.db2.gz HLLBELOUBQVJHG-PWSUYJOCSA-N -1 0 351.363 -0.571 20 0 FBADRM CC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001001859385 660433779 /nfs/dbraw/zinc/43/37/79/660433779.db2.gz IHESZBXIVCOOFO-YPMHNXCESA-N -1 0 353.379 -0.779 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CS(C)(=O)=O)c1[O-] ZINC001002043795 660434807 /nfs/dbraw/zinc/43/48/07/660434807.db2.gz QUOYAJZBFAGBAS-BBBLOLIVSA-N -1 0 356.404 -0.670 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2COCCO2)c1[O-] ZINC001002045034 660434752 /nfs/dbraw/zinc/43/47/52/660434752.db2.gz ZLUWQKKGOGWRSV-WISYIIOYSA-N -1 0 350.375 -0.299 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2COCCO2)c1[O-] ZINC001002045035 660434784 /nfs/dbraw/zinc/43/47/84/660434784.db2.gz ZLUWQKKGOGWRSV-WYUUTHIRSA-N -1 0 350.375 -0.299 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C)S(C)(=O)=O)c1[O-] ZINC001002058046 660435142 /nfs/dbraw/zinc/43/51/42/660435142.db2.gz XFWVWMSNRLSHPK-DBIOUOCHSA-N -1 0 370.431 -0.281 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)S(C)(=O)=O)c1[O-] ZINC001002058049 660435127 /nfs/dbraw/zinc/43/51/27/660435127.db2.gz XFWVWMSNRLSHPK-ZDCRXTMVSA-N -1 0 370.431 -0.281 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CS(=O)(=O)C2)c1[O-] ZINC001002058465 660435138 /nfs/dbraw/zinc/43/51/38/660435138.db2.gz KONVCYAHKLGIJT-MXWKQRLJSA-N -1 0 368.415 -0.670 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CC1(F)F ZINC001002437171 660441092 /nfs/dbraw/zinc/44/10/92/660441092.db2.gz DBXHMNITHPJHBO-CWKFCGSDSA-N -1 0 355.301 -0.200 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CC1(F)F ZINC001002437174 660441117 /nfs/dbraw/zinc/44/11/17/660441117.db2.gz DBXHMNITHPJHBO-XUTVFYLZSA-N -1 0 355.301 -0.200 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC1(F)F)C2 ZINC001002440407 660441084 /nfs/dbraw/zinc/44/10/84/660441084.db2.gz YZSUSUBRGRKIIR-BGZDPUMWSA-N -1 0 357.317 -0.407 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC1(F)F)C2 ZINC001002440408 660441101 /nfs/dbraw/zinc/44/11/01/660441101.db2.gz YZSUSUBRGRKIIR-XAVMHZPKSA-N -1 0 357.317 -0.407 20 0 FBADRM Cc1nc[nH]c(=O)c1C(=O)N1CC(CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001002843763 660447339 /nfs/dbraw/zinc/44/73/39/660447339.db2.gz YTPDVFWXTYXMER-GWCFXTLKSA-N -1 0 350.375 -0.517 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001002852053 660447945 /nfs/dbraw/zinc/44/79/45/660447945.db2.gz BUAOJYASYODOGG-KOLCDFICSA-N -1 0 351.363 -0.714 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001002853814 660448225 /nfs/dbraw/zinc/44/82/25/660448225.db2.gz UNMOCJCIFBZSIZ-PWSUYJOCSA-N -1 0 353.379 -0.921 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC(CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)c1[O-] ZINC001002885014 660449966 /nfs/dbraw/zinc/44/99/66/660449966.db2.gz RGILQTVWJPVHDE-BXKDBHETSA-N -1 0 351.407 -0.669 20 0 FBADRM Cc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CS(=O)(=O)C2)C3)c1[O-] ZINC001002971247 660451986 /nfs/dbraw/zinc/45/19/86/660451986.db2.gz NZYQLVOPUXCTMZ-MXWKQRLJSA-N -1 0 368.415 -0.670 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccns1)C2 ZINC001003244105 660457891 /nfs/dbraw/zinc/45/78/91/660457891.db2.gz PXYYIAMTRVMZQY-HLTSFMKQSA-N -1 0 364.387 -0.292 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O)c1ccns1 ZINC001003249477 660457871 /nfs/dbraw/zinc/45/78/71/660457871.db2.gz NOMOYPLXLRLXJG-PRJMDXOYSA-N -1 0 362.371 -0.085 20 0 FBADRM O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001003365291 660458798 /nfs/dbraw/zinc/45/87/98/660458798.db2.gz XWSBZVLSWDDMQQ-VHRBIJSZSA-N -1 0 351.407 -0.358 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003390595 660459187 /nfs/dbraw/zinc/45/91/87/660459187.db2.gz CTACRBKRDMSUPG-KOLCDFICSA-N -1 0 351.363 -0.714 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003392207 660459180 /nfs/dbraw/zinc/45/91/80/660459180.db2.gz SXULOUYGWKLBFT-ZJUUUORDSA-N -1 0 351.363 -0.714 20 0 FBADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001003429667 660459529 /nfs/dbraw/zinc/45/95/29/660459529.db2.gz SDUXLZCJTKUXJD-GHMZBOCLSA-N -1 0 351.407 -0.054 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CC(CNC(=O)c3cnc([O-])n(C)c3=O)C2)O1 ZINC001003540621 660460663 /nfs/dbraw/zinc/46/06/63/660460663.db2.gz FYAOYNPHYSPNIY-BXKDBHETSA-N -1 0 350.375 -0.758 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC(CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001003542099 660460650 /nfs/dbraw/zinc/46/06/50/660460650.db2.gz VESKMFLUURXHJJ-SKDRFNHKSA-N -1 0 350.375 -0.901 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O)c1ccsn1 ZINC001003597450 660460996 /nfs/dbraw/zinc/46/09/96/660460996.db2.gz XXJWRSYKFVGSJX-VDAHYXPESA-N -1 0 362.371 -0.085 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccsn1)C2 ZINC001003601946 660461277 /nfs/dbraw/zinc/46/12/77/660461277.db2.gz WUKAYXKAMWJDDI-QNSHHTMESA-N -1 0 364.387 -0.292 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001003609705 660460989 /nfs/dbraw/zinc/46/09/89/660460989.db2.gz LNIXLZKCEMBWJU-MNOVXSKESA-N -1 0 353.379 -0.921 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001003613474 660461646 /nfs/dbraw/zinc/46/16/46/660461646.db2.gz NBEPZIXIEHDZKF-ZJUUUORDSA-N -1 0 351.363 -0.714 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O)c1csnn1 ZINC001004491268 660474046 /nfs/dbraw/zinc/47/40/46/660474046.db2.gz DQZMFTHEKRCBLK-JKMUOGBPSA-N -1 0 363.359 -0.690 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csnn1)C2 ZINC001004494430 660474362 /nfs/dbraw/zinc/47/43/62/660474362.db2.gz WSZLXRYDORQYIN-BHNWBGBOSA-N -1 0 365.375 -0.897 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NCC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001004516942 660474627 /nfs/dbraw/zinc/47/46/27/660474627.db2.gz QNHTWKGUQDIWTK-SKDRFNHKSA-N -1 0 350.375 -0.901 20 0 FBADRM CC(C)C[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001004536343 660474894 /nfs/dbraw/zinc/47/48/94/660474894.db2.gz QNAZRLXOPQMIPQ-VXGBXAGGSA-N -1 0 351.407 -0.054 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cscn1)c1n[nH]c(=O)[n-]c1=O ZINC001004569240 660475256 /nfs/dbraw/zinc/47/52/56/660475256.db2.gz DPLSACOSBBMKFT-BHNWBGBOSA-N -1 0 362.371 -0.085 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccns1)c1n[nH]c(=O)[n-]c1=O ZINC001004569905 660475251 /nfs/dbraw/zinc/47/52/51/660475251.db2.gz GBWVHUGJSJNZIN-PRJMDXOYSA-N -1 0 362.371 -0.085 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnsn1)c1n[nH]c(=O)[n-]c1=O ZINC001004570101 660475234 /nfs/dbraw/zinc/47/52/34/660475234.db2.gz HSAMPEBKYLVOLB-JKMUOGBPSA-N -1 0 363.359 -0.690 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(CF)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001004571235 660475266 /nfs/dbraw/zinc/47/52/66/660475266.db2.gz LGXODXJGTCRYLJ-HLTSFMKQSA-N -1 0 351.338 -0.106 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nccs1)c1n[nH]c(=O)[n-]c1=O ZINC001004571299 660475261 /nfs/dbraw/zinc/47/52/61/660475261.db2.gz MCLIGYNOCLBRJM-PRJMDXOYSA-N -1 0 362.371 -0.085 20 0 FBADRM CC(C)(O)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001004571380 660475269 /nfs/dbraw/zinc/47/52/69/660475269.db2.gz NEUHZIPAKOTZGI-HLTSFMKQSA-N -1 0 351.363 -0.695 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC1(F)F)c1n[nH]c(=O)[n-]c1=O ZINC001004572451 660475238 /nfs/dbraw/zinc/47/52/38/660475238.db2.gz PNYHOKISBITJID-CWKFCGSDSA-N -1 0 355.301 -0.200 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC1(F)F)c1n[nH]c(=O)[n-]c1=O ZINC001004572475 660475250 /nfs/dbraw/zinc/47/52/50/660475250.db2.gz PNYHOKISBITJID-XUTVFYLZSA-N -1 0 355.301 -0.200 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cncs1)c1n[nH]c(=O)[n-]c1=O ZINC001004572545 660475235 /nfs/dbraw/zinc/47/52/35/660475235.db2.gz QKZOBTXYVSAXIU-PRJMDXOYSA-N -1 0 362.371 -0.085 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnns1)c1n[nH]c(=O)[n-]c1=O ZINC001004572551 660475241 /nfs/dbraw/zinc/47/52/41/660475241.db2.gz QMVWOKQMJXNZGU-QYNIQEEDSA-N -1 0 363.359 -0.690 20 0 FBADRM CC[C@@H](OC)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001004573330 660475228 /nfs/dbraw/zinc/47/52/28/660475228.db2.gz UBSKMDBKGJAORW-DOLQZWNJSA-N -1 0 351.363 -0.431 20 0 FBADRM CC[C@H](OC)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001004573332 660475265 /nfs/dbraw/zinc/47/52/65/660475265.db2.gz UBSKMDBKGJAORW-IMSYWVGJSA-N -1 0 351.363 -0.431 20 0 FBADRM CS[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001004573426 660475237 /nfs/dbraw/zinc/47/52/37/660475237.db2.gz VSFKOMWZXUHWER-BGZDPUMWSA-N -1 0 353.404 -0.104 20 0 FBADRM CS[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001004573429 660475252 /nfs/dbraw/zinc/47/52/52/660475252.db2.gz VSFKOMWZXUHWER-KDXUFGMBSA-N -1 0 353.404 -0.104 20 0 FBADRM CC(C)[C@@H](O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001004574292 660475223 /nfs/dbraw/zinc/47/52/23/660475223.db2.gz ZIXVYJLFDCDRGK-SDNRWEOFSA-N -1 0 351.363 -0.839 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccsn1)c1n[nH]c(=O)[n-]c1=O ZINC001004580383 660475268 /nfs/dbraw/zinc/47/52/68/660475268.db2.gz AEVZHPCHSGUBGO-VDAHYXPESA-N -1 0 362.371 -0.085 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1csnn1)c1n[nH]c(=O)[n-]c1=O ZINC001004585021 660475552 /nfs/dbraw/zinc/47/55/52/660475552.db2.gz WAOVUXQGJUODQO-JKMUOGBPSA-N -1 0 363.359 -0.690 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NCC2CN(C(=O)c3cnc([O-])n(C)c3=O)C2)O1 ZINC001004657467 660476128 /nfs/dbraw/zinc/47/61/28/660476128.db2.gz NCFQGRQOZMHIIA-BXKDBHETSA-N -1 0 350.375 -0.758 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1csnn1 ZINC001004818692 660479014 /nfs/dbraw/zinc/47/90/14/660479014.db2.gz HFWSQEQNIAAVFB-BHNWBGBOSA-N -1 0 365.375 -0.897 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccsn1 ZINC001004819063 660479017 /nfs/dbraw/zinc/47/90/17/660479017.db2.gz MDEQFIUQXYOHPE-QNSHHTMESA-N -1 0 364.387 -0.292 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(CF)CC1 ZINC001004819534 660479065 /nfs/dbraw/zinc/47/90/65/660479065.db2.gz NVZOETKUTAPRCX-BBBLOLIVSA-N -1 0 353.354 -0.313 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccns1 ZINC001004819555 660479098 /nfs/dbraw/zinc/47/90/98/660479098.db2.gz ONYVJXBWESJYRK-HLTSFMKQSA-N -1 0 364.387 -0.292 20 0 FBADRM CC(F)(F)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001004819579 660479128 /nfs/dbraw/zinc/47/91/28/660479128.db2.gz PCPDIGDKBHJMMN-HLTSFMKQSA-N -1 0 359.333 -0.017 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCO1 ZINC001004819591 660479053 /nfs/dbraw/zinc/47/90/53/660479053.db2.gz PLBJMMZSQUKRKV-CHWFTXMASA-N -1 0 351.363 -0.884 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCO1 ZINC001004819592 660479087 /nfs/dbraw/zinc/47/90/87/660479087.db2.gz PLBJMMZSQUKRKV-ZNSHCXBVSA-N -1 0 351.363 -0.884 20 0 FBADRM CC(C)(O)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001004819619 660479103 /nfs/dbraw/zinc/47/91/03/660479103.db2.gz RBWLRGWECSCNKU-BBBLOLIVSA-N -1 0 353.379 -0.902 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nccs1 ZINC001004820048 660479024 /nfs/dbraw/zinc/47/90/24/660479024.db2.gz SFVFRVXREZOYMZ-HLTSFMKQSA-N -1 0 364.387 -0.292 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC1(F)F ZINC001004820496 660479028 /nfs/dbraw/zinc/47/90/28/660479028.db2.gz WUDHIRIRQYSLRF-BGZDPUMWSA-N -1 0 357.317 -0.407 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC1(F)F ZINC001004820499 660479171 /nfs/dbraw/zinc/47/91/71/660479171.db2.gz WUDHIRIRQYSLRF-XAVMHZPKSA-N -1 0 357.317 -0.407 20 0 FBADRM CS[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001004820744 660479002 /nfs/dbraw/zinc/47/90/02/660479002.db2.gz CHQYFFGLZHPICL-JLIMGVALSA-N -1 0 355.420 -0.311 20 0 FBADRM CS[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001004820746 660479175 /nfs/dbraw/zinc/47/91/75/660479175.db2.gz CHQYFFGLZHPICL-KYXWUPHJSA-N -1 0 355.420 -0.311 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnns1 ZINC001004821523 660479335 /nfs/dbraw/zinc/47/93/35/660479335.db2.gz FTNUANKXJWZIAL-PRJMDXOYSA-N -1 0 365.375 -0.897 20 0 FBADRM CC[C@@H](OC)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001004821679 660479270 /nfs/dbraw/zinc/47/92/70/660479270.db2.gz IXRRXANBIMIJRK-CHWFTXMASA-N -1 0 353.379 -0.638 20 0 FBADRM CC[C@H](OC)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001004821681 660479381 /nfs/dbraw/zinc/47/93/81/660479381.db2.gz IXRRXANBIMIJRK-ZNSHCXBVSA-N -1 0 353.379 -0.638 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cscn1 ZINC001004822814 660479463 /nfs/dbraw/zinc/47/94/63/660479463.db2.gz NJZLMUGGNPPNFG-MRTMQBJTSA-N -1 0 364.387 -0.292 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cncs1 ZINC001004822818 660479303 /nfs/dbraw/zinc/47/93/03/660479303.db2.gz NLEDXLVDFZKAOW-HLTSFMKQSA-N -1 0 364.387 -0.292 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnsn1 ZINC001004823410 660479239 /nfs/dbraw/zinc/47/92/39/660479239.db2.gz SUYUFMRQZSVMKQ-BHNWBGBOSA-N -1 0 365.375 -0.897 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC(F)(F)F ZINC001004823563 660479249 /nfs/dbraw/zinc/47/92/49/660479249.db2.gz WOOGAYAGIVOQFH-PRJMDXOYSA-N -1 0 363.296 -0.110 20 0 FBADRM CC(C)[C@@H](F)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001004823602 660479425 /nfs/dbraw/zinc/47/94/25/660479425.db2.gz AYTKXLDACOEDPA-MWGHHZFTSA-N -1 0 355.370 -0.069 20 0 FBADRM CC(C)[C@H](F)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001004823608 660479422 /nfs/dbraw/zinc/47/94/22/660479422.db2.gz AYTKXLDACOEDPA-SVDPJWKOSA-N -1 0 355.370 -0.069 20 0 FBADRM CO[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc([O-])n(C)c1=O)C2 ZINC001004895114 660480132 /nfs/dbraw/zinc/48/01/32/660480132.db2.gz CRQPATMCVDVYLY-IQIPOGNMSA-N -1 0 350.375 -0.618 20 0 FBADRM CO[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc([O-])n(C)c1=O)C2 ZINC001004895119 660480128 /nfs/dbraw/zinc/48/01/28/660480128.db2.gz CRQPATMCVDVYLY-SPFNVWMYSA-N -1 0 350.375 -0.618 20 0 FBADRM CSCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc([O-])n(C)c1=O)C2 ZINC001004896115 660480483 /nfs/dbraw/zinc/48/04/83/660480483.db2.gz HGVMSVUVIQOHOE-IEBDPFPHSA-N -1 0 352.416 -0.289 20 0 FBADRM C[C@H]1CC(=O)N[C@@H](C(=O)N(C)C2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001005407503 660493664 /nfs/dbraw/zinc/49/36/64/660493664.db2.gz ZYJVOHFJIQYZDJ-ZYHUDNBSSA-N -1 0 350.423 -0.152 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O)c1nccs1 ZINC001005462617 660494090 /nfs/dbraw/zinc/49/40/90/660494090.db2.gz AVFFNQXTFRNFHM-PRJMDXOYSA-N -1 0 362.371 -0.085 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccs1)C2 ZINC001005466709 660494143 /nfs/dbraw/zinc/49/41/43/660494143.db2.gz YKZOVNWEVVDSMA-HLTSFMKQSA-N -1 0 364.387 -0.292 20 0 FBADRM C[C@@H]1CN(C)C[C@H](C(=O)N(C)C2CCN(Cc3n[nH]c(=O)[n-]3)CC2)O1 ZINC001005581313 660499837 /nfs/dbraw/zinc/49/98/37/660499837.db2.gz MEXNMWWLJWYNIQ-DGCLKSJQSA-N -1 0 352.439 -0.348 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(C(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC001005910379 660512378 /nfs/dbraw/zinc/51/23/78/660512378.db2.gz JCEBONSCERYMSF-BXGCZWRVSA-N -1 0 352.391 -0.196 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H](C)C2CN(C(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC001005910391 660512307 /nfs/dbraw/zinc/51/23/07/660512307.db2.gz JCEBONSCERYMSF-YACGNSKGSA-N -1 0 352.391 -0.196 20 0 FBADRM CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005997132 660515415 /nfs/dbraw/zinc/51/54/15/660515415.db2.gz MKCPGVCNTQBNRK-MNOVXSKESA-N -1 0 350.423 -0.165 20 0 FBADRM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001006003551 660515501 /nfs/dbraw/zinc/51/55/01/660515501.db2.gz GSBJFZLPVOSBRB-NEPJUHHUSA-N -1 0 350.423 -0.343 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC([C@H](C)NC(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC001006312184 660532527 /nfs/dbraw/zinc/53/25/27/660532527.db2.gz ADNXMPTYGPTRCC-BXGCZWRVSA-N -1 0 352.391 -0.196 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC([C@@H](C)NC(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC001006312186 660532183 /nfs/dbraw/zinc/53/21/83/660532183.db2.gz ADNXMPTYGPTRCC-YACGNSKGSA-N -1 0 352.391 -0.196 20 0 FBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)[C@H]2OCC[C@H]2C)C1 ZINC001006483035 661786389 /nfs/dbraw/zinc/78/63/89/661786389.db2.gz BWZCLVRJVPMIQL-FYBVGQRMSA-N -1 0 351.363 -0.716 20 0 FBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)[C@H]2OCC[C@H]2C)C1 ZINC001006483036 661786459 /nfs/dbraw/zinc/78/64/59/661786459.db2.gz BWZCLVRJVPMIQL-XLDPMVHQSA-N -1 0 351.363 -0.716 20 0 FBADRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001006484552 661788903 /nfs/dbraw/zinc/78/89/03/661788903.db2.gz JHEKOVRXPIZJAQ-KHQFGBGNSA-N -1 0 351.363 -0.573 20 0 FBADRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001006484554 661788991 /nfs/dbraw/zinc/78/89/91/661788991.db2.gz JHEKOVRXPIZJAQ-NQMVMOMDSA-N -1 0 351.363 -0.573 20 0 FBADRM CC(C)(F)C(=O)N[C@]12CCC[C@H]1CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001006884930 662109462 /nfs/dbraw/zinc/10/94/62/662109462.db2.gz BOGDWGXAWNREBU-VFZGTOFNSA-N -1 0 355.370 -0.065 20 0 FBADRM CC(F)(F)C(=O)N[C@]12CCC[C@H]1CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001006896420 662109882 /nfs/dbraw/zinc/10/98/82/662109882.db2.gz ONEDBXOHJFQHGQ-RTHLEPHNSA-N -1 0 359.333 -0.158 20 0 FBADRM C[C@H](NC(=O)[C@H]1OCC[C@H]1C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001006901457 662110060 /nfs/dbraw/zinc/11/00/60/662110060.db2.gz BUBFQUTXMRKNHW-FYBVGQRMSA-N -1 0 351.363 -0.716 20 0 FBADRM C[C@@H](NC(=O)[C@H]1OCC[C@H]1C)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001006901458 662110204 /nfs/dbraw/zinc/11/02/04/662110204.db2.gz BUBFQUTXMRKNHW-XLDPMVHQSA-N -1 0 351.363 -0.716 20 0 FBADRM C[C@@H](NC(=O)[C@H]1OCC[C@H]1C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001006912647 662110130 /nfs/dbraw/zinc/11/01/30/662110130.db2.gz ZIPWPRQRIWFINW-LNLATYFQSA-N -1 0 353.379 -0.923 20 0 FBADRM C[C@H](NC(=O)[C@H]1OCC[C@H]1C)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001006912648 662110171 /nfs/dbraw/zinc/11/01/71/662110171.db2.gz ZIPWPRQRIWFINW-PTRXPTGYSA-N -1 0 353.379 -0.923 20 0 FBADRM C[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001006920800 662110175 /nfs/dbraw/zinc/11/01/75/662110175.db2.gz JUEIIDWSRUBKIE-FXPVBKGRSA-N -1 0 353.379 -0.780 20 0 FBADRM C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001006920801 662110091 /nfs/dbraw/zinc/11/00/91/662110091.db2.gz JUEIIDWSRUBKIE-WCABBAIRSA-N -1 0 353.379 -0.780 20 0 FBADRM C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001006923678 662110168 /nfs/dbraw/zinc/11/01/68/662110168.db2.gz XIHJUBPDTWBOQH-KHQFGBGNSA-N -1 0 351.363 -0.573 20 0 FBADRM C[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001006923680 662110099 /nfs/dbraw/zinc/11/00/99/662110099.db2.gz XIHJUBPDTWBOQH-NQMVMOMDSA-N -1 0 351.363 -0.573 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@]23CCC[C@H]2CN(C(=O)CS(C)(=O)=O)C3)c1[O-] ZINC001007315840 662111385 /nfs/dbraw/zinc/11/13/85/662111385.db2.gz APLKJEMFTCHFRP-BONVTDFDSA-N -1 0 370.431 -0.421 20 0 FBADRM CO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001007884896 662117011 /nfs/dbraw/zinc/11/70/11/662117011.db2.gz NNHSNNIRNUNPAZ-OLBFVZFUSA-N -1 0 351.363 -0.571 20 0 FBADRM CO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001007884898 662117046 /nfs/dbraw/zinc/11/70/46/662117046.db2.gz NNHSNNIRNUNPAZ-UTEYVOQOSA-N -1 0 351.363 -0.571 20 0 FBADRM CSCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001007890787 662117025 /nfs/dbraw/zinc/11/70/25/662117025.db2.gz WMDQJSRSLYYGDW-RTHLEPHNSA-N -1 0 353.404 -0.243 20 0 FBADRM CS[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001007932968 662117144 /nfs/dbraw/zinc/11/71/44/662117144.db2.gz BOHVJZXGIWAOFX-FTGAXOIBSA-N -1 0 369.447 -0.062 20 0 FBADRM CS[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001007932970 662117092 /nfs/dbraw/zinc/11/70/92/662117092.db2.gz BOHVJZXGIWAOFX-YHAQOWFVSA-N -1 0 369.447 -0.062 20 0 FBADRM CC(F)(F)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001007934513 662117117 /nfs/dbraw/zinc/11/71/17/662117117.db2.gz MRCLGFBNHLAPCJ-RTHLEPHNSA-N -1 0 359.333 -0.158 20 0 FBADRM CO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001007934541 662117155 /nfs/dbraw/zinc/11/71/55/662117155.db2.gz MTNRFWWMMUWFDV-FTGAXOIBSA-N -1 0 353.379 -0.779 20 0 FBADRM CO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001007934544 662117021 /nfs/dbraw/zinc/11/70/21/662117021.db2.gz MTNRFWWMMUWFDV-YHAQOWFVSA-N -1 0 353.379 -0.779 20 0 FBADRM CSCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001007935199 662117104 /nfs/dbraw/zinc/11/71/04/662117104.db2.gz QQTVYMGPNZNURH-XPTSAGLGSA-N -1 0 355.420 -0.450 20 0 FBADRM CC(C)(F)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001007935700 662117160 /nfs/dbraw/zinc/11/71/60/662117160.db2.gz UCCVJEMHBTZYOJ-VFZGTOFNSA-N -1 0 355.370 -0.065 20 0 FBADRM CC[C@@H](F)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001007943260 662117008 /nfs/dbraw/zinc/11/70/08/662117008.db2.gz QYNPXCXGYOOQRF-WMFXKJRFSA-N -1 0 355.370 -0.065 20 0 FBADRM CC[C@H](F)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001007943261 662117135 /nfs/dbraw/zinc/11/71/35/662117135.db2.gz QYNPXCXGYOOQRF-YHAQOWFVSA-N -1 0 355.370 -0.065 20 0 FBADRM COCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001007966527 662117123 /nfs/dbraw/zinc/11/71/23/662117123.db2.gz GYVKUPQNIDBMEL-QFYYESIMSA-N -1 0 350.375 -0.757 20 0 FBADRM CSCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001007968921 662117476 /nfs/dbraw/zinc/11/74/76/662117476.db2.gz YFMLLODBTFSIEM-QFYYESIMSA-N -1 0 366.443 -0.040 20 0 FBADRM O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001008035883 662117777 /nfs/dbraw/zinc/11/77/77/662117777.db2.gz FOQJQBMMYPDCST-KZVDOYCCSA-N -1 0 351.407 -0.358 20 0 FBADRM O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001008035885 662117885 /nfs/dbraw/zinc/11/78/85/662117885.db2.gz FOQJQBMMYPDCST-ZJQBRPOHSA-N -1 0 351.407 -0.358 20 0 FBADRM CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001008493829 662121219 /nfs/dbraw/zinc/12/12/19/662121219.db2.gz DNRZVOFSAZWWID-RNFRBKRXSA-N -1 0 351.285 -0.395 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)C2CC2)C[C@H]1C(F)(F)F)c1n[nH]c(=O)[n-]c1=O ZINC001008518972 662121585 /nfs/dbraw/zinc/12/15/85/662121585.db2.gz JDCDVGRRWVLJEN-RNFRBKRXSA-N -1 0 361.280 -0.188 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(C(=O)C2CC2)C[C@H]1C(F)(F)F ZINC001008521000 662121448 /nfs/dbraw/zinc/12/14/48/662121448.db2.gz BWRXSRJXDHZKST-HTQZYQBOSA-N -1 0 363.296 -0.395 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)C(F)F)C[C@H]1C(F)(F)F)c1n[nH]c(=O)[n-]c1=O ZINC001008522098 662121573 /nfs/dbraw/zinc/12/15/73/662121573.db2.gz HAKFCRUXKXUOGZ-QWWZWVQMSA-N -1 0 371.222 -0.333 20 0 FBADRM COCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001008548774 662122241 /nfs/dbraw/zinc/12/22/41/662122241.db2.gz YAXRYCLMBKZKAG-PHDIDXHHSA-N -1 0 365.268 -0.952 20 0 FBADRM CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001008551872 662122566 /nfs/dbraw/zinc/12/25/66/662122566.db2.gz DKQXIBFGHCATDC-HTQZYQBOSA-N -1 0 365.312 -0.005 20 0 FBADRM CC(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001008597987 662123047 /nfs/dbraw/zinc/12/30/47/662123047.db2.gz SJTKHBDNQGUXSN-HTQZYQBOSA-N -1 0 365.312 -0.149 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2C(F)(F)F)c1[O-] ZINC001008637194 662124534 /nfs/dbraw/zinc/12/45/34/662124534.db2.gz MJOOIEHLOHLYRH-RNFRBKRXSA-N -1 0 363.296 -0.582 20 0 FBADRM CC(=O)N[C@@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1C(F)(F)F ZINC001008758254 662127464 /nfs/dbraw/zinc/12/74/64/662127464.db2.gz YMZAAOVAWCRGRD-VXNVDRBHSA-N -1 0 363.296 -0.259 20 0 FBADRM Cc1nonc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001008758761 662127534 /nfs/dbraw/zinc/12/75/34/662127534.db2.gz OQZXNSNJPCUSEG-HTRCEHHLSA-N -1 0 359.268 -0.071 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C(F)(F)F)C(F)F ZINC001008776702 662128117 /nfs/dbraw/zinc/12/81/17/662128117.db2.gz GZWOSJKBYPUZCK-QWWZWVQMSA-N -1 0 371.222 -0.333 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C(F)(F)F)C1CC1 ZINC001008778720 662127913 /nfs/dbraw/zinc/12/79/13/662127913.db2.gz SSNYPLHYUBJNIT-RNFRBKRXSA-N -1 0 361.280 -0.188 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)C2CC2)C1 ZINC001008783961 662127918 /nfs/dbraw/zinc/12/79/18/662127918.db2.gz KHRWEJCTIZRQHU-HTQZYQBOSA-N -1 0 363.296 -0.395 20 0 FBADRM CCC(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C(F)(F)F ZINC001008784708 662128382 /nfs/dbraw/zinc/12/83/82/662128382.db2.gz RJDKDUICQTZXBW-RNFRBKRXSA-N -1 0 351.285 -0.395 20 0 FBADRM CC(C)C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C(F)(F)F ZINC001008785220 662128300 /nfs/dbraw/zinc/12/83/00/662128300.db2.gz YBKWMNYKGIHHOJ-HTQZYQBOSA-N -1 0 365.312 -0.149 20 0 FBADRM CN1C[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NC(=O)C(F)F)C2)NC1=O ZINC001008787456 662128291 /nfs/dbraw/zinc/12/82/91/662128291.db2.gz LEBNUFGNNAMDJJ-FSDSQADBSA-N -1 0 358.267 -0.219 20 0 FBADRM CN1C[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NC(=O)C(F)F)C2)NC1=O ZINC001008787458 662128283 /nfs/dbraw/zinc/12/82/83/662128283.db2.gz LEBNUFGNNAMDJJ-QYNIQEEDSA-N -1 0 358.267 -0.219 20 0 FBADRM CC(F)(F)C(=O)N[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C(F)(F)F ZINC001008831065 662129357 /nfs/dbraw/zinc/12/93/57/662129357.db2.gz TWDPBJFYXZIIMU-DSYKOEDSSA-N -1 0 358.267 -0.172 20 0 FBADRM NC(=O)C1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NC(=O)c3cn[nH]n3)C2)CC1 ZINC001008832267 662129719 /nfs/dbraw/zinc/12/97/19/662129719.db2.gz AXEDQJJHFQNSJE-HTRCEHHLSA-N -1 0 360.296 -0.811 20 0 FBADRM O=C(Cn1cncn1)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001008872896 662130909 /nfs/dbraw/zinc/13/09/09/662130909.db2.gz ZXFHHDBPFUFYDS-VXNVDRBHSA-N -1 0 358.284 -0.785 20 0 FBADRM O=C(NC[C@]12CCC[C@H]1CN(C(=O)C(F)F)C2)c1n[nH]c(=O)[n-]c1=O ZINC001008902004 662131263 /nfs/dbraw/zinc/13/12/63/662131263.db2.gz ZIQNUUNDIFCUOJ-WJWGPLDTSA-N -1 0 357.317 -0.094 20 0 FBADRM COCC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001008953277 662131124 /nfs/dbraw/zinc/13/11/24/662131124.db2.gz PIIMVYQCBFTZGK-VFZGTOFNSA-N -1 0 351.363 -0.712 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)c1[O-] ZINC001011010212 662135248 /nfs/dbraw/zinc/13/52/48/662135248.db2.gz YCIFGNGEQLNKKR-ZYHUDNBSSA-N -1 0 351.407 -0.573 20 0 FBADRM Cc1nc[nH]c(=O)c1C(=O)N1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 ZINC001011316597 662139150 /nfs/dbraw/zinc/13/91/50/662139150.db2.gz ADFNFLRASYDOMU-AAEUAGOBSA-N -1 0 350.375 -0.421 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001011317959 662139562 /nfs/dbraw/zinc/13/95/62/662139562.db2.gz FMUPWGOELBENNE-KOLCDFICSA-N -1 0 351.363 -0.618 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001011319719 662139473 /nfs/dbraw/zinc/13/94/73/662139473.db2.gz YLDGZMHCZCRILE-PWSUYJOCSA-N -1 0 353.379 -0.825 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001011734808 662140825 /nfs/dbraw/zinc/14/08/25/662140825.db2.gz JVWXWVGRUDKBQL-ZJUUUORDSA-N -1 0 351.363 -0.618 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001011848870 662140662 /nfs/dbraw/zinc/14/06/62/662140662.db2.gz VROMDTZFQAGVCI-MNOVXSKESA-N -1 0 353.379 -0.825 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC001011878825 662140808 /nfs/dbraw/zinc/14/08/08/662140808.db2.gz IXCPNADVXRHLLY-PWSUYJOCSA-N -1 0 350.375 -0.805 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)c3cnc([O-])n(C)c3=O)CC2)O1 ZINC001011878868 662140710 /nfs/dbraw/zinc/14/07/10/662140710.db2.gz OUEUZEGRBVRBOK-ZYHUDNBSSA-N -1 0 350.375 -0.662 20 0 FBADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001014941088 662143688 /nfs/dbraw/zinc/14/36/88/662143688.db2.gz NJWFYEXYLIIMDF-QNSHHTMESA-N -1 0 365.312 -0.453 20 0 FBADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001014941189 662143811 /nfs/dbraw/zinc/14/38/11/662143811.db2.gz NJWFYEXYLIIMDF-SFGNSQDASA-N -1 0 365.312 -0.453 20 0 FBADRM Cc1[nH]nc(C(=O)N(C)C2CC(NC(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC001016401773 662145763 /nfs/dbraw/zinc/14/57/63/662145763.db2.gz ZAJZEDYKROPUMS-WCDMZKEKSA-N -1 0 352.391 -0.053 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001016668003 662146385 /nfs/dbraw/zinc/14/63/85/662146385.db2.gz REAKQZRIRJIASU-GVXVVHGQSA-N -1 0 351.407 -0.215 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001016668006 662146406 /nfs/dbraw/zinc/14/64/06/662146406.db2.gz REAKQZRIRJIASU-LOWVWBTDSA-N -1 0 351.407 -0.215 20 0 FBADRM Cc1n[nH]c(C(=O)NC2CC(N(C)C(=O)[C@H]3OCCO[C@H]3C)C2)c1[O-] ZINC001016675012 662146697 /nfs/dbraw/zinc/14/66/97/662146697.db2.gz OVKPBQGQICWCRX-WCDMZKEKSA-N -1 0 352.391 -0.053 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC2CC(N(C)C(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC001016792157 662147077 /nfs/dbraw/zinc/14/70/77/662147077.db2.gz PFBSDFHOYJEUMX-SEZDTBSWSA-N -1 0 351.363 -0.431 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NC1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001016792619 662147080 /nfs/dbraw/zinc/14/70/80/662147080.db2.gz WDQUQKDHAREBSL-BBRNTIAVSA-N -1 0 351.363 -0.573 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC2CC(N(C)C(=O)Cn3c(=O)[n-][nH]c3=O)C2)O1 ZINC001016819530 662147264 /nfs/dbraw/zinc/14/72/64/662147264.db2.gz IAOKVGSKGJWTBC-AGVGLQIMSA-N -1 0 353.379 -0.638 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NC1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016820437 662147295 /nfs/dbraw/zinc/14/72/95/662147295.db2.gz ZFRSRLNEJPMKBM-QARRAHMOSA-N -1 0 353.379 -0.780 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N(C)C1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001017050091 662147796 /nfs/dbraw/zinc/14/77/96/662147796.db2.gz FKFUUKKMBGKZOI-QARRAHMOSA-N -1 0 353.379 -0.780 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N(C)C1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001017050214 662147889 /nfs/dbraw/zinc/14/78/89/662147889.db2.gz HDRHHCYWXWSTFU-BBRNTIAVSA-N -1 0 351.363 -0.573 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N(C)C2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)O1 ZINC001017079994 662148106 /nfs/dbraw/zinc/14/81/06/662148106.db2.gz DDDBQXJLCQKZGL-AGVGLQIMSA-N -1 0 353.379 -0.638 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N(C)C2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)O1 ZINC001017080806 662148095 /nfs/dbraw/zinc/14/80/95/662148095.db2.gz WCESHBGONDSADT-SEZDTBSWSA-N -1 0 351.363 -0.431 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@H]3OCCO[C@H]3C)[C@@H]2C)c1[O-] ZINC001020188530 658645460 /nfs/dbraw/zinc/64/54/60/658645460.db2.gz MVRUYKALFPOXRU-RMIALFOJSA-N -1 0 352.391 -0.053 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@H]3OCCO[C@H]3C)[C@H]2C)c1[O-] ZINC001020361603 662157917 /nfs/dbraw/zinc/15/79/17/662157917.db2.gz YSGZSUQKJCPIDI-RMIALFOJSA-N -1 0 352.391 -0.053 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001020428099 657116542 /nfs/dbraw/zinc/11/65/42/657116542.db2.gz RWSAQAAUHKGCGP-HJGDQZAQSA-N -1 0 351.363 -0.573 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C)O1 ZINC001020428157 657116613 /nfs/dbraw/zinc/11/66/13/657116613.db2.gz ZOQVFGCFCRDNLH-XFWSIPNHSA-N -1 0 351.363 -0.431 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001020447647 657128581 /nfs/dbraw/zinc/12/85/81/657128581.db2.gz VJSRQHXUFRGUEE-WDCWCFNPSA-N -1 0 353.379 -0.780 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C)O1 ZINC001020447712 657128516 /nfs/dbraw/zinc/12/85/16/657128516.db2.gz ZSOJEBSCMJUVKG-VPOLOUISSA-N -1 0 353.379 -0.638 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001020595897 657193666 /nfs/dbraw/zinc/19/36/66/657193666.db2.gz OYMYSHKGDZECLM-WDCWCFNPSA-N -1 0 353.379 -0.780 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001020596039 657193882 /nfs/dbraw/zinc/19/38/82/657193882.db2.gz WUANBTGTJYHFQQ-HJGDQZAQSA-N -1 0 351.363 -0.573 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C)O1 ZINC001020617546 657203450 /nfs/dbraw/zinc/20/34/50/657203450.db2.gz HYKCLQZBIHYHMU-XFWSIPNHSA-N -1 0 351.363 -0.431 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C)O1 ZINC001020617765 657203057 /nfs/dbraw/zinc/20/30/57/657203057.db2.gz SSVUAPWUXGFFKT-VPOLOUISSA-N -1 0 353.379 -0.638 20 0 FBADRM O=C(c1c[n-]n2c1nccc2=O)N1C[C@@H]2CCN(C(=O)C(F)F)[C@@H]2C1 ZINC001020878948 657250950 /nfs/dbraw/zinc/25/09/50/657250950.db2.gz CTQLFCKISHVBQC-WCBMZHEXSA-N -1 0 351.313 -0.039 20 0 FBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N1C[C@@H]2CCN(C(=O)C(F)F)[C@@H]2C1 ZINC001020883483 657251022 /nfs/dbraw/zinc/25/10/22/657251022.db2.gz UVEKYLQCUMSTDJ-IONNQARKSA-N -1 0 357.317 -0.460 20 0 FBADRM CSCC(=O)N1CC[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC001021027878 657263916 /nfs/dbraw/zinc/26/39/16/657263916.db2.gz BXOLXNJKMCLSQE-GXSJLCMTSA-N -1 0 352.416 -0.478 20 0 FBADRM CSCC(=O)N1CC[C@H]2CN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001021028326 657263799 /nfs/dbraw/zinc/26/37/99/657263799.db2.gz NJUCSTLSWPVRGN-GXSJLCMTSA-N -1 0 367.431 -0.362 20 0 FBADRM CS[C@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001021125887 657277816 /nfs/dbraw/zinc/27/78/16/657277816.db2.gz GHSNRBYHZNGMBJ-HRDYMLBCSA-N -1 0 353.404 -0.293 20 0 FBADRM CS[C@@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001021125888 657277758 /nfs/dbraw/zinc/27/77/58/657277758.db2.gz GHSNRBYHZNGMBJ-XHNCKOQMSA-N -1 0 353.404 -0.293 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4COCCO4)[C@@H]3C2)c1[O-] ZINC001021130727 657280566 /nfs/dbraw/zinc/28/05/66/657280566.db2.gz SPUIARJMMYSQMH-QJPTWQEYSA-N -1 0 350.375 -0.488 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4COCCO4)[C@@H]3C2)c1[O-] ZINC001021130728 657280646 /nfs/dbraw/zinc/28/06/46/657280646.db2.gz SPUIARJMMYSQMH-TUAOUCFPSA-N -1 0 350.375 -0.488 20 0 FBADRM CS[C@@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC001021139691 657282325 /nfs/dbraw/zinc/28/23/25/657282325.db2.gz MOVGSBBJSIHZJC-JBLDHEPKSA-N -1 0 366.443 -0.090 20 0 FBADRM CS[C@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC001021139695 657282267 /nfs/dbraw/zinc/28/22/67/657282267.db2.gz MOVGSBBJSIHZJC-JFGNBEQYSA-N -1 0 366.443 -0.090 20 0 FBADRM CS[C@H](C)C(=O)N1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001021139975 657282737 /nfs/dbraw/zinc/28/27/37/657282737.db2.gz SBXUANHMJKAVBU-KXUCPTDWSA-N -1 0 355.420 -0.500 20 0 FBADRM CS[C@@H](C)C(=O)N1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001021139976 657282696 /nfs/dbraw/zinc/28/26/96/657282696.db2.gz SBXUANHMJKAVBU-LPEHRKFASA-N -1 0 355.420 -0.500 20 0 FBADRM O=C(c1cnsn1)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001021156635 657284545 /nfs/dbraw/zinc/28/45/45/657284545.db2.gz OPAXVMCVVWADGH-POYBYMJQSA-N -1 0 363.359 -0.879 20 0 FBADRM O=C(c1cnns1)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001021159426 657284976 /nfs/dbraw/zinc/28/49/76/657284976.db2.gz ZBHZVBFAGJSYAB-NKWVEPMBSA-N -1 0 363.359 -0.879 20 0 FBADRM O=C(c1cncs1)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001021167695 657287308 /nfs/dbraw/zinc/28/73/08/657287308.db2.gz GHGWYOMWLYHASQ-JGVFFNPUSA-N -1 0 362.371 -0.274 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H]2CCN(C(=O)c3cncs3)[C@@H]2C1 ZINC001021167815 657287155 /nfs/dbraw/zinc/28/71/55/657287155.db2.gz IPUXCITXILZTAX-DTWKUNHWSA-N -1 0 364.387 -0.481 20 0 FBADRM CO[C@@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC001021185687 657289168 /nfs/dbraw/zinc/28/91/68/657289168.db2.gz FBLICYLCSGPWLN-JBLDHEPKSA-N -1 0 350.375 -0.806 20 0 FBADRM CO[C@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC001021185688 657289039 /nfs/dbraw/zinc/28/90/39/657289039.db2.gz FBLICYLCSGPWLN-JFGNBEQYSA-N -1 0 350.375 -0.806 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3CCN(C(=O)CS(C)(=O)=O)[C@@H]3C2)c1[O-] ZINC001021185691 657289030 /nfs/dbraw/zinc/28/90/30/657289030.db2.gz FEJNQKNEHBPVOJ-VHSXEESVSA-N -1 0 356.404 -0.859 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H]2CCN(C(=O)CC(F)(F)F)[C@@H]2C1 ZINC001021195983 657298962 /nfs/dbraw/zinc/29/89/62/657298962.db2.gz NBHXRTPOUHKSQT-JGVFFNPUSA-N -1 0 363.296 -0.299 20 0 FBADRM O=C(CC(F)(F)F)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001021196125 657298859 /nfs/dbraw/zinc/29/88/59/657298859.db2.gz RWLGOQPKNDREEU-NKWVEPMBSA-N -1 0 361.280 -0.092 20 0 FBADRM CC[C@H](OC)C(=O)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001021209626 657301604 /nfs/dbraw/zinc/30/16/04/657301604.db2.gz SMIZXJJURFPKHV-AEJSXWLSSA-N -1 0 351.363 -0.619 20 0 FBADRM CC[C@@H](OC)C(=O)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001021209630 657301565 /nfs/dbraw/zinc/30/15/65/657301565.db2.gz SMIZXJJURFPKHV-IVZWLZJFSA-N -1 0 351.363 -0.619 20 0 FBADRM CC[C@H](OC)C(=O)N1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001021209980 657301491 /nfs/dbraw/zinc/30/14/91/657301491.db2.gz VTYJRYPVNWWTNC-AXFHLTTASA-N -1 0 353.379 -0.826 20 0 FBADRM CC[C@@H](OC)C(=O)N1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001021209981 657301776 /nfs/dbraw/zinc/30/17/76/657301776.db2.gz VTYJRYPVNWWTNC-HBNTYKKESA-N -1 0 353.379 -0.826 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H]2CCN(C(=O)c3cscn3)[C@@H]2C1 ZINC001021223493 657302176 /nfs/dbraw/zinc/30/21/76/657302176.db2.gz BJVUHFPTECLEDB-WCBMZHEXSA-N -1 0 364.387 -0.481 20 0 FBADRM O=C(c1cscn1)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001021223756 657302775 /nfs/dbraw/zinc/30/27/75/657302775.db2.gz HYGZNMFKPVMBBM-IONNQARKSA-N -1 0 362.371 -0.274 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3CN(C(=O)CS(C)(=O)=O)C[C@H]32)c1[O-] ZINC001021397845 657336292 /nfs/dbraw/zinc/33/62/92/657336292.db2.gz GALAQQQCWRYMCJ-VHSXEESVSA-N -1 0 356.404 -0.859 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4COCCO4)C[C@H]32)c1[O-] ZINC001021398345 657336771 /nfs/dbraw/zinc/33/67/71/657336771.db2.gz QOCJRCBIFWYGHX-QJPTWQEYSA-N -1 0 350.375 -0.488 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4COCCO4)C[C@H]32)c1[O-] ZINC001021398350 657336310 /nfs/dbraw/zinc/33/63/10/657336310.db2.gz QOCJRCBIFWYGHX-TUAOUCFPSA-N -1 0 350.375 -0.488 20 0 FBADRM CC[C@H](SC)C(=O)N1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001021399721 657338862 /nfs/dbraw/zinc/33/88/62/657338862.db2.gz AFHBNCJHEPJJHN-AXFHLTTASA-N -1 0 369.447 -0.110 20 0 FBADRM CC[C@@H](SC)C(=O)N1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001021399732 657338906 /nfs/dbraw/zinc/33/89/06/657338906.db2.gz AFHBNCJHEPJJHN-HBNTYKKESA-N -1 0 369.447 -0.110 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3CN(C(=O)C4CS(=O)(=O)C4)C[C@H]32)c1[O-] ZINC001021400596 657339806 /nfs/dbraw/zinc/33/98/06/657339806.db2.gz QEYYQALXMKFZJT-GXSJLCMTSA-N -1 0 368.415 -0.859 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@H]32)c1[O-] ZINC001021401372 657339068 /nfs/dbraw/zinc/33/90/68/657339068.db2.gz LLAMIKQPWXTKRI-GARJFASQSA-N -1 0 370.431 -0.470 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@H]32)c1[O-] ZINC001021401375 657339024 /nfs/dbraw/zinc/33/90/24/657339024.db2.gz LLAMIKQPWXTKRI-OUAUKWLOSA-N -1 0 370.431 -0.470 20 0 FBADRM CC(C)(O)CC(=O)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001021492131 657358880 /nfs/dbraw/zinc/35/88/80/657358880.db2.gz MKSFMCWUMORURD-DTWKUNHWSA-N -1 0 351.363 -0.883 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC3(F)F)[C@@H]2C1 ZINC001021560845 657373105 /nfs/dbraw/zinc/37/31/05/657373105.db2.gz ZTSHDDFNUIKAAD-BIIVOSGPSA-N -1 0 355.301 -0.389 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@@H]2CCN(C(=O)[C@H]3CC3(F)F)[C@@H]2C1 ZINC001021560846 657373020 /nfs/dbraw/zinc/37/30/20/657373020.db2.gz ZTSHDDFNUIKAAD-XLPZGREQSA-N -1 0 355.301 -0.389 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H]2CCN(C(=O)[C@H]3CC3(F)F)[C@@H]2C1 ZINC001021563307 657373090 /nfs/dbraw/zinc/37/30/90/657373090.db2.gz DKTSCLVWAQPIOH-DJLDLDEBSA-N -1 0 357.317 -0.596 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC3(F)F)[C@@H]2C1 ZINC001021563308 657373167 /nfs/dbraw/zinc/37/31/67/657373167.db2.gz DKTSCLVWAQPIOH-XHNCKOQMSA-N -1 0 357.317 -0.596 20 0 FBADRM O=C(c1c[n-]n2c1nccc2=O)N1CC[C@H]2CN(C(=O)C(F)F)C[C@H]21 ZINC001021685616 657382313 /nfs/dbraw/zinc/38/23/13/657382313.db2.gz CBRIKSTXSQFMRQ-WCBMZHEXSA-N -1 0 351.313 -0.039 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3CCN(C(=O)C4CS(=O)(=O)C4)[C@@H]3C2)c1[O-] ZINC001021757654 657389699 /nfs/dbraw/zinc/38/96/99/657389699.db2.gz RJCBKYJMRXXVBC-GXSJLCMTSA-N -1 0 368.415 -0.859 20 0 FBADRM O=C(c1ccns1)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001021837447 657408423 /nfs/dbraw/zinc/40/84/23/657408423.db2.gz MAVAWQUSQLVUKB-JGVFFNPUSA-N -1 0 362.371 -0.274 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H]2CCN(C(=O)c3ccns3)[C@@H]2C1 ZINC001021839529 657409034 /nfs/dbraw/zinc/40/90/34/657409034.db2.gz OKTQOMBLPQGNGN-DTWKUNHWSA-N -1 0 364.387 -0.481 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H]2CCN(C(=O)c3ccsn3)[C@@H]2C1 ZINC001021978975 657418364 /nfs/dbraw/zinc/41/83/64/657418364.db2.gz LCFRDMRUAULWGF-WCBMZHEXSA-N -1 0 364.387 -0.481 20 0 FBADRM O=C(c1ccsn1)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001021979519 657418216 /nfs/dbraw/zinc/41/82/16/657418216.db2.gz VJZKKPZVBLZAQV-IONNQARKSA-N -1 0 362.371 -0.274 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3CCN(C(=O)[C@H](C)S(C)(=O)=O)[C@@H]3C2)c1[O-] ZINC001022079970 657437593 /nfs/dbraw/zinc/43/75/93/657437593.db2.gz RZIILTIYCWNYHW-GARJFASQSA-N -1 0 370.431 -0.470 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H](C)S(C)(=O)=O)[C@@H]3C2)c1[O-] ZINC001022079972 657437312 /nfs/dbraw/zinc/43/73/12/657437312.db2.gz RZIILTIYCWNYHW-OUAUKWLOSA-N -1 0 370.431 -0.470 20 0 FBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N1CC[C@H]2CN(C(=O)C(F)F)C[C@H]21 ZINC001022100169 657441053 /nfs/dbraw/zinc/44/10/53/657441053.db2.gz XPYUHTGQASSQJJ-IONNQARKSA-N -1 0 357.317 -0.460 20 0 FBADRM CSCC(=O)N1C[C@@H]2CCN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001022100757 657441035 /nfs/dbraw/zinc/44/10/35/657441035.db2.gz YSCJXVUWQDFDJG-GXSJLCMTSA-N -1 0 367.431 -0.362 20 0 FBADRM O=C(c1csnn1)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001022237575 657455021 /nfs/dbraw/zinc/45/50/21/657455021.db2.gz DIGKSGAYPOIUAB-POYBYMJQSA-N -1 0 363.359 -0.879 20 0 FBADRM O=C(c1cnns1)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001022254659 657457623 /nfs/dbraw/zinc/45/76/23/657457623.db2.gz AFHWBUDSXZEWGE-NKWVEPMBSA-N -1 0 363.359 -0.879 20 0 FBADRM O=C(c1nccs1)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001022254718 657457498 /nfs/dbraw/zinc/45/74/98/657457498.db2.gz CKILQHJJKSBJRL-JGVFFNPUSA-N -1 0 362.371 -0.274 20 0 FBADRM O=C(c1cncs1)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001022254810 657457439 /nfs/dbraw/zinc/45/74/39/657457439.db2.gz FNJCWCALDHDQKH-JGVFFNPUSA-N -1 0 362.371 -0.274 20 0 FBADRM O=C(CC(F)(F)F)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001022254909 657456449 /nfs/dbraw/zinc/45/64/49/657456449.db2.gz HKSCLZKNDGUBMU-NKWVEPMBSA-N -1 0 361.280 -0.092 20 0 FBADRM CS[C@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001022255225 657456482 /nfs/dbraw/zinc/45/64/82/657456482.db2.gz LHYSYYHRFOHXEZ-HRDYMLBCSA-N -1 0 353.404 -0.293 20 0 FBADRM CS[C@@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001022255228 657456298 /nfs/dbraw/zinc/45/62/98/657456298.db2.gz LHYSYYHRFOHXEZ-XHNCKOQMSA-N -1 0 353.404 -0.293 20 0 FBADRM CC(C)(O)CC(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001022255254 657456751 /nfs/dbraw/zinc/45/67/51/657456751.db2.gz MDQMQGAXPRISEY-DTWKUNHWSA-N -1 0 351.363 -0.883 20 0 FBADRM O=C(c1cscn1)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001022255322 657456495 /nfs/dbraw/zinc/45/64/95/657456495.db2.gz NJDXGBSNEPWAFZ-IONNQARKSA-N -1 0 362.371 -0.274 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC3(F)F)C[C@H]21 ZINC001022255336 657456336 /nfs/dbraw/zinc/45/63/36/657456336.db2.gz NLXNUBUDOADQMU-BIIVOSGPSA-N -1 0 355.301 -0.389 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H]2CN(C(=O)[C@H]3CC3(F)F)C[C@H]21 ZINC001022255341 657456317 /nfs/dbraw/zinc/45/63/17/657456317.db2.gz NLXNUBUDOADQMU-XLPZGREQSA-N -1 0 355.301 -0.389 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H]2CN(C(=O)C3(CF)CC3)C[C@H]21 ZINC001022255505 657457509 /nfs/dbraw/zinc/45/75/09/657457509.db2.gz OCHFGSVXXQERKO-DTWKUNHWSA-N -1 0 351.338 -0.295 20 0 FBADRM O=C(c1cnsn1)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001022255638 657457332 /nfs/dbraw/zinc/45/73/32/657457332.db2.gz QYGDBNKANORNJF-POYBYMJQSA-N -1 0 363.359 -0.879 20 0 FBADRM CC[C@H](OC)C(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001022255853 657457310 /nfs/dbraw/zinc/45/73/10/657457310.db2.gz WMFCDRJLRUXNQY-AEJSXWLSSA-N -1 0 351.363 -0.619 20 0 FBADRM CC[C@@H](OC)C(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001022255854 657457319 /nfs/dbraw/zinc/45/73/19/657457319.db2.gz WMFCDRJLRUXNQY-IVZWLZJFSA-N -1 0 351.363 -0.619 20 0 FBADRM CC(C)[C@H](F)C(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001022255860 657457505 /nfs/dbraw/zinc/45/75/05/657457505.db2.gz WQNRVDFLQAHEGT-AEJSXWLSSA-N -1 0 353.354 -0.050 20 0 FBADRM CC(C)[C@@H](F)C(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001022255861 657457278 /nfs/dbraw/zinc/45/72/78/657457278.db2.gz WQNRVDFLQAHEGT-IVZWLZJFSA-N -1 0 353.354 -0.050 20 0 FBADRM O=C(c1ccns1)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001022255862 657457399 /nfs/dbraw/zinc/45/73/99/657457399.db2.gz WRQJMYYOIKBBQJ-JGVFFNPUSA-N -1 0 362.371 -0.274 20 0 FBADRM O=C(c1csnn1)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001022256676 657457542 /nfs/dbraw/zinc/45/75/42/657457542.db2.gz NJWOQUHTOHAOJF-POYBYMJQSA-N -1 0 363.359 -0.879 20 0 FBADRM O=C(c1ccsn1)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001022256692 657457536 /nfs/dbraw/zinc/45/75/36/657457536.db2.gz OCRZIIGWAMCCPF-IONNQARKSA-N -1 0 362.371 -0.274 20 0 FBADRM CS[C@H](C)C(=O)N1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001022316293 657465227 /nfs/dbraw/zinc/46/52/27/657465227.db2.gz AUDPWHTXGRMLQC-KXUCPTDWSA-N -1 0 355.420 -0.500 20 0 FBADRM CS[C@@H](C)C(=O)N1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001022316296 657465559 /nfs/dbraw/zinc/46/55/59/657465559.db2.gz AUDPWHTXGRMLQC-LPEHRKFASA-N -1 0 355.420 -0.500 20 0 FBADRM CC(C)[C@@H](F)C(=O)N1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001022316807 657464541 /nfs/dbraw/zinc/46/45/41/657464541.db2.gz JWPRIUNDJTWQHQ-HOSYDEDBSA-N -1 0 355.370 -0.257 20 0 FBADRM CC(C)[C@H](F)C(=O)N1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001022316808 657464137 /nfs/dbraw/zinc/46/41/37/657464137.db2.gz JWPRIUNDJTWQHQ-UMNHJUIQSA-N -1 0 355.370 -0.257 20 0 FBADRM CC[C@H](OC)C(=O)N1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001022316860 657464326 /nfs/dbraw/zinc/46/43/26/657464326.db2.gz MBDNYDFMQAAUAL-AXFHLTTASA-N -1 0 353.379 -0.826 20 0 FBADRM CC[C@@H](OC)C(=O)N1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001022316861 657465535 /nfs/dbraw/zinc/46/55/35/657465535.db2.gz MBDNYDFMQAAUAL-HBNTYKKESA-N -1 0 353.379 -0.826 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CN(C(=O)c3cncs3)C[C@H]21 ZINC001022317050 657465519 /nfs/dbraw/zinc/46/55/19/657465519.db2.gz OZIIPBHLBDGYAI-DTWKUNHWSA-N -1 0 364.387 -0.481 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CN(C(=O)CC(F)(F)F)C[C@H]21 ZINC001022317063 657465342 /nfs/dbraw/zinc/46/53/42/657465342.db2.gz PXUUGSOQHZDBGI-JGVFFNPUSA-N -1 0 363.296 -0.299 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CN(C(=O)c3cscn3)C[C@H]21 ZINC001022317250 657465480 /nfs/dbraw/zinc/46/54/80/657465480.db2.gz ULAOYAVLPWCYBN-WCBMZHEXSA-N -1 0 364.387 -0.481 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CN(C(=O)[C@H]3CC3(F)F)C[C@H]21 ZINC001022317295 657465507 /nfs/dbraw/zinc/46/55/07/657465507.db2.gz WISXSNAYPPQIFL-DJLDLDEBSA-N -1 0 357.317 -0.596 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC3(F)F)C[C@H]21 ZINC001022317296 657465566 /nfs/dbraw/zinc/46/55/66/657465566.db2.gz WISXSNAYPPQIFL-XHNCKOQMSA-N -1 0 357.317 -0.596 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CN(C(=O)c3ccns3)C[C@H]21 ZINC001022317437 657465399 /nfs/dbraw/zinc/46/53/99/657465399.db2.gz YKVGKNAQTBKKEP-DTWKUNHWSA-N -1 0 364.387 -0.481 20 0 FBADRM CC[C@H](SC)C(=O)N1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001022317442 657465432 /nfs/dbraw/zinc/46/54/32/657465432.db2.gz YPXKNHRRHLIVSA-AXFHLTTASA-N -1 0 369.447 -0.110 20 0 FBADRM CC[C@@H](SC)C(=O)N1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001022317443 657465306 /nfs/dbraw/zinc/46/53/06/657465306.db2.gz YPXKNHRRHLIVSA-HBNTYKKESA-N -1 0 369.447 -0.110 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CN(C(=O)c3nccs3)C[C@H]21 ZINC001022317459 657465346 /nfs/dbraw/zinc/46/53/46/657465346.db2.gz ZILQPBWICJYBPN-DTWKUNHWSA-N -1 0 364.387 -0.481 20 0 FBADRM CC(F)(F)CC(=O)N1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001022318306 657465298 /nfs/dbraw/zinc/46/52/98/657465298.db2.gz NAACTYCDOZRSHQ-DTWKUNHWSA-N -1 0 359.333 -0.206 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CN(C(=O)C3(CF)CC3)C[C@H]21 ZINC001022319017 657465427 /nfs/dbraw/zinc/46/54/27/657465427.db2.gz XPNVXTNQLKOREL-VHSXEESVSA-N -1 0 353.354 -0.502 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CN(C(=O)c3ccsn3)C[C@H]21 ZINC001022319024 657465301 /nfs/dbraw/zinc/46/53/01/657465301.db2.gz XVSXRVFGWBQOJG-WCBMZHEXSA-N -1 0 364.387 -0.481 20 0 FBADRM CC[C@@H](F)C(=O)N1C[C@@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC001022339944 657468516 /nfs/dbraw/zinc/46/85/16/657468516.db2.gz BBWKTHZUYYLXPI-MVWJERBFSA-N -1 0 352.366 -0.093 20 0 FBADRM CC[C@H](F)C(=O)N1C[C@@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC001022339945 657468200 /nfs/dbraw/zinc/46/82/00/657468200.db2.gz BBWKTHZUYYLXPI-ZMLRMANQSA-N -1 0 352.366 -0.093 20 0 FBADRM CSCC(=O)N1C[C@@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC001022340060 657467489 /nfs/dbraw/zinc/46/74/89/657467489.db2.gz DYFAIIIWSZLCDB-GXSJLCMTSA-N -1 0 352.416 -0.478 20 0 FBADRM CO[C@@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC001022340317 657467339 /nfs/dbraw/zinc/46/73/39/657467339.db2.gz NYOSNWIAOVWRSQ-JBLDHEPKSA-N -1 0 350.375 -0.806 20 0 FBADRM CO[C@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC001022340318 657467714 /nfs/dbraw/zinc/46/77/14/657467714.db2.gz NYOSNWIAOVWRSQ-JFGNBEQYSA-N -1 0 350.375 -0.806 20 0 FBADRM CS[C@@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC001022340355 657467135 /nfs/dbraw/zinc/46/71/35/657467135.db2.gz PFDKLKCQNQIOTG-JBLDHEPKSA-N -1 0 366.443 -0.090 20 0 FBADRM CS[C@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC001022340356 657467347 /nfs/dbraw/zinc/46/73/47/657467347.db2.gz PFDKLKCQNQIOTG-JFGNBEQYSA-N -1 0 366.443 -0.090 20 0 FBADRM CC[C@@H](F)C(=O)N1CC[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC001022406114 657476390 /nfs/dbraw/zinc/47/63/90/657476390.db2.gz CYRKYJRAOSMMDR-MVWJERBFSA-N -1 0 352.366 -0.093 20 0 FBADRM CC[C@H](F)C(=O)N1CC[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC001022406116 657476765 /nfs/dbraw/zinc/47/67/65/657476765.db2.gz CYRKYJRAOSMMDR-ZMLRMANQSA-N -1 0 352.366 -0.093 20 0 FBADRM CC(C)[C@H](F)C(=O)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001022427318 657479804 /nfs/dbraw/zinc/47/98/04/657479804.db2.gz BPEDIHQUAUHVQT-AEJSXWLSSA-N -1 0 353.354 -0.050 20 0 FBADRM CC(C)[C@@H](F)C(=O)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001022427321 657479566 /nfs/dbraw/zinc/47/95/66/657479566.db2.gz BPEDIHQUAUHVQT-IVZWLZJFSA-N -1 0 353.354 -0.050 20 0 FBADRM CC(C)[C@@H](F)C(=O)N1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001022428285 657479705 /nfs/dbraw/zinc/47/97/05/657479705.db2.gz NWKLUGMPRRHHLT-HOSYDEDBSA-N -1 0 355.370 -0.257 20 0 FBADRM CC(C)[C@H](F)C(=O)N1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001022428291 657479623 /nfs/dbraw/zinc/47/96/23/657479623.db2.gz NWKLUGMPRRHHLT-UMNHJUIQSA-N -1 0 355.370 -0.257 20 0 FBADRM O=C(c1nccs1)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001022504506 657491698 /nfs/dbraw/zinc/49/16/98/657491698.db2.gz HWIJWNPAFIBHSU-JGVFFNPUSA-N -1 0 362.371 -0.274 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H]2CCN(C(=O)c3nccs3)[C@@H]2C1 ZINC001022505674 657491394 /nfs/dbraw/zinc/49/13/94/657491394.db2.gz ZOIQMLRGQQSQTI-DTWKUNHWSA-N -1 0 364.387 -0.481 20 0 FBADRM CC(F)(F)CC(=O)N1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001022614762 657509514 /nfs/dbraw/zinc/50/95/14/657509514.db2.gz CYJQOROXOUSKOE-DTWKUNHWSA-N -1 0 359.333 -0.206 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2n[n-]c3ccccc3c2=O)C[C@H]1O)C(F)F ZINC001022859699 657555501 /nfs/dbraw/zinc/55/55/01/657555501.db2.gz HZLZWGKNSVBISS-NXEZZACHSA-N -1 0 352.297 -0.098 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)cc1=O ZINC001022863257 657558323 /nfs/dbraw/zinc/55/83/23/657558323.db2.gz JIALGEHOODYVBS-GHMZBOCLSA-N -1 0 360.361 -0.672 20 0 FBADRM CS(=O)(=O)c1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)co1 ZINC001022864275 657558349 /nfs/dbraw/zinc/55/83/49/657558349.db2.gz HGKPHENXXBEBJY-HTQZYQBOSA-N -1 0 352.315 -0.750 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC3)C2)cc1=O ZINC001022867613 657559532 /nfs/dbraw/zinc/55/95/32/657559532.db2.gz YCAOESNESLDCSL-ZIAGYGMSSA-N -1 0 350.419 -0.527 20 0 FBADRM CC(C)(F)C(=O)N[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@H]1O ZINC001022891535 657568155 /nfs/dbraw/zinc/56/81/55/657568155.db2.gz HXMCTQHEYOIDTK-RKDXNWHRSA-N -1 0 352.322 -0.022 20 0 FBADRM Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 ZINC001022894272 657569931 /nfs/dbraw/zinc/56/99/31/657569931.db2.gz IYUWFJHAFLMTMP-VXGBXAGGSA-N -1 0 350.375 -0.781 20 0 FBADRM CC(F)(F)C(=O)N[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@H]1O ZINC001022898959 657573812 /nfs/dbraw/zinc/57/38/12/657573812.db2.gz WSIVIODVLZAKFS-HTQZYQBOSA-N -1 0 356.285 -0.115 20 0 FBADRM CC(C)(F)C(=O)N[C@@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)C[C@H]1O ZINC001022901320 657573393 /nfs/dbraw/zinc/57/33/93/657573393.db2.gz DBABWZKQQFKSQX-NXEZZACHSA-N -1 0 351.338 -0.928 20 0 FBADRM Cc1ccsc1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O ZINC001022934690 657589806 /nfs/dbraw/zinc/58/98/06/657589806.db2.gz OGAWRKOQPWSIDD-HTQZYQBOSA-N -1 0 365.371 -0.732 20 0 FBADRM Cc1ccsc1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1O ZINC001022934919 657589637 /nfs/dbraw/zinc/58/96/37/657589637.db2.gz XSJQJOZCRBIMBR-RKDXNWHRSA-N -1 0 367.387 -0.939 20 0 FBADRM Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2O)s1 ZINC001022937236 657589546 /nfs/dbraw/zinc/58/95/46/657589546.db2.gz MVRQMDVPVCQNFD-HTQZYQBOSA-N -1 0 365.371 -0.732 20 0 FBADRM Cc1ccc(C(=O)N[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2O)s1 ZINC001022938476 657590605 /nfs/dbraw/zinc/59/06/05/657590605.db2.gz SBTUYVPHPKMBLI-RKDXNWHRSA-N -1 0 367.387 -0.939 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O)C1CCCCC1 ZINC001022946844 657592728 /nfs/dbraw/zinc/59/27/28/657592728.db2.gz FYBYBAXZXXFVMZ-NXEZZACHSA-N -1 0 351.363 -0.835 20 0 FBADRM O=C(CC1CCCC1)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O ZINC001022957957 657595335 /nfs/dbraw/zinc/59/53/35/657595335.db2.gz VJVOCNDEUPDFMT-NXEZZACHSA-N -1 0 351.363 -0.835 20 0 FBADRM Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001023027244 657629455 /nfs/dbraw/zinc/62/94/55/657629455.db2.gz SDEGMUJAJNRTLR-HTQZYQBOSA-N -1 0 352.376 -0.801 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O)c1ccc(Cl)o1 ZINC001023068647 657649911 /nfs/dbraw/zinc/64/99/11/657649911.db2.gz PWEMWCDMGQZIEM-PHDIDXHHSA-N -1 0 369.721 -0.856 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)C)C2)cc1=O ZINC001023087591 657652109 /nfs/dbraw/zinc/65/21/09/657652109.db2.gz APFZWXXTYSHUAN-ZIAGYGMSSA-N -1 0 352.435 -0.281 20 0 FBADRM Cc1ncsc1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001023114273 657668270 /nfs/dbraw/zinc/66/82/70/657668270.db2.gz KOXBFAAIBCUVCA-RKDXNWHRSA-N -1 0 351.388 -0.196 20 0 FBADRM Cc1ncc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]2O)s1 ZINC001023172217 657713103 /nfs/dbraw/zinc/71/31/03/657713103.db2.gz MEJBZJVUQYZAKL-RKDXNWHRSA-N -1 0 351.388 -0.196 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CC3CCOCC3)C2)c1[O-] ZINC001023238644 657744059 /nfs/dbraw/zinc/74/40/59/657744059.db2.gz YKBBMYBCVXOLBY-VXGBXAGGSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1cscc1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1O ZINC001023333742 657774957 /nfs/dbraw/zinc/77/49/57/657774957.db2.gz CTOYACKBSGCAOU-NXEZZACHSA-N -1 0 367.387 -0.939 20 0 FBADRM Cc1cscc1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O ZINC001023334434 657775112 /nfs/dbraw/zinc/77/51/12/657775112.db2.gz QLVBORLSAHWWPZ-RKDXNWHRSA-N -1 0 365.371 -0.732 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCCCO3)C2)c1[O-] ZINC001023356622 657778524 /nfs/dbraw/zinc/77/85/24/657778524.db2.gz COSJULQUFNAVHD-IJLUTSLNSA-N -1 0 352.391 -0.316 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCCCO3)C2)c1[O-] ZINC001023356634 657778619 /nfs/dbraw/zinc/77/86/19/657778619.db2.gz COSJULQUFNAVHD-QJPTWQEYSA-N -1 0 352.391 -0.316 20 0 FBADRM C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001023374492 657784278 /nfs/dbraw/zinc/78/42/78/657784278.db2.gz RRDXMJLEMWSTPY-GRYCIOLGSA-N -1 0 350.423 -0.247 20 0 FBADRM C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001023374493 657784602 /nfs/dbraw/zinc/78/46/02/657784602.db2.gz RRDXMJLEMWSTPY-IJLUTSLNSA-N -1 0 350.423 -0.247 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3snnc3C)C[C@H]2O)c1[O-] ZINC001023411641 657799813 /nfs/dbraw/zinc/79/98/13/657799813.db2.gz FXJXTZMGLWVGFT-HTQZYQBOSA-N -1 0 352.376 -0.801 20 0 FBADRM Cc1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)s1 ZINC001023411660 657799802 /nfs/dbraw/zinc/79/98/02/657799802.db2.gz GEJKWERIRNPQQI-RKDXNWHRSA-N -1 0 351.388 -0.196 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3scnc3C)C[C@H]2O)c1[O-] ZINC001023412166 657799819 /nfs/dbraw/zinc/79/98/19/657799819.db2.gz OTVDJISMWKHBFP-RKDXNWHRSA-N -1 0 351.388 -0.196 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)COC3CCCC3)C[C@H]2O)c1[O-] ZINC001023412447 657799874 /nfs/dbraw/zinc/79/98/74/657799874.db2.gz VVWJDUYLDMHVEE-VXGBXAGGSA-N -1 0 352.391 -0.316 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC[C@H]3CCCO3)C[C@H]2O)c1[O-] ZINC001023412600 657799600 /nfs/dbraw/zinc/79/96/00/657799600.db2.gz XYMSMTKGVRVKHD-IJLUTSLNSA-N -1 0 352.391 -0.316 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC[C@@H]3CCCO3)C[C@H]2O)c1[O-] ZINC001023412601 657799971 /nfs/dbraw/zinc/79/99/71/657799971.db2.gz XYMSMTKGVRVKHD-QJPTWQEYSA-N -1 0 352.391 -0.316 20 0 FBADRM CCOC1CC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)C1 ZINC001023412976 657799839 /nfs/dbraw/zinc/79/98/39/657799839.db2.gz BHENPXDOUIDNLJ-KIDURHIOSA-N -1 0 352.391 -0.460 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001023412984 657800813 /nfs/dbraw/zinc/80/08/13/657800813.db2.gz BMPAHHDSBPQEKP-KKOKHZNYSA-N -1 0 352.391 -0.460 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCOCC3)C[C@H]2O)c1[O-] ZINC001023413296 657800619 /nfs/dbraw/zinc/80/06/19/657800619.db2.gz HKYLJBHANXGEIB-IJLUTSLNSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCOCC3)C[C@H]2O)c1[O-] ZINC001023413297 657800883 /nfs/dbraw/zinc/80/08/83/657800883.db2.gz HKYLJBHANXGEIB-QJPTWQEYSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C[C@@](C)(O)C3CC3)C[C@H]2O)c1[O-] ZINC001023413445 657800716 /nfs/dbraw/zinc/80/07/16/657800716.db2.gz JTWKGNUKQYNVOJ-GLKRBJQHSA-N -1 0 352.391 -0.724 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C[C@](C)(O)C3CC3)C[C@H]2O)c1[O-] ZINC001023413448 657800769 /nfs/dbraw/zinc/80/07/69/657800769.db2.gz JTWKGNUKQYNVOJ-UVWXRNBGSA-N -1 0 352.391 -0.724 20 0 FBADRM Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)ns1 ZINC001023413492 657801007 /nfs/dbraw/zinc/80/10/07/657801007.db2.gz LDBDPVRKNRAYTI-NXEZZACHSA-N -1 0 351.388 -0.196 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cn(C)nc3Cl)C[C@H]2O)c1[O-] ZINC001023413494 657800747 /nfs/dbraw/zinc/80/07/47/657800747.db2.gz LDRYQKPESDGDCK-RKDXNWHRSA-N -1 0 368.781 -0.574 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3CCC(O)CC3)C[C@H]2O)c1[O-] ZINC001023413540 657800901 /nfs/dbraw/zinc/80/09/01/657800901.db2.gz MRIQRBFLPPDMRQ-KIDURHIOSA-N -1 0 352.391 -0.724 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC[C@@H]3CCOC3)C[C@H]2O)c1[O-] ZINC001023413564 657800787 /nfs/dbraw/zinc/80/07/87/657800787.db2.gz NIUMICQJFDYDGQ-IJLUTSLNSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC[C@H]3CCOC3)C[C@H]2O)c1[O-] ZINC001023413565 657800954 /nfs/dbraw/zinc/80/09/54/657800954.db2.gz NIUMICQJFDYDGQ-QJPTWQEYSA-N -1 0 352.391 -0.458 20 0 FBADRM COc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)on1 ZINC001023413604 657800736 /nfs/dbraw/zinc/80/07/36/657800736.db2.gz OWZHGJZEFMUCDD-HTQZYQBOSA-N -1 0 351.319 -0.964 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3=C(C)OCCC3)C[C@H]2O)c1[O-] ZINC001023413646 657799808 /nfs/dbraw/zinc/79/98/08/657799808.db2.gz PEWGHGVCOCEVMR-VXGBXAGGSA-N -1 0 350.375 -0.190 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cc(Cl)n(C)n3)C[C@H]2O)c1[O-] ZINC001023413839 657801839 /nfs/dbraw/zinc/80/18/39/657801839.db2.gz UJQLMAZWKFDPOK-RKDXNWHRSA-N -1 0 368.781 -0.574 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3csnc3C)C[C@H]2O)c1[O-] ZINC001023413850 657801897 /nfs/dbraw/zinc/80/18/97/657801897.db2.gz VFEYOQMJJKAJLK-NXEZZACHSA-N -1 0 351.388 -0.196 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)COc3ccsc3)C[C@H]2O)c1[O-] ZINC001023414018 657801886 /nfs/dbraw/zinc/80/18/86/657801886.db2.gz XWWOTIINQAMPBY-GHMZBOCLSA-N -1 0 366.399 -0.134 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC3CCOCC3)C[C@H]2O)c1[O-] ZINC001023414032 657801688 /nfs/dbraw/zinc/80/16/88/657801688.db2.gz YHLHTKKMXXPHTM-VXGBXAGGSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CCCCO3)C[C@H]2O)c1[O-] ZINC001023414049 657801815 /nfs/dbraw/zinc/80/18/15/657801815.db2.gz YTPQIXCUUAMQIV-IJLUTSLNSA-N -1 0 352.391 -0.316 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CCCCO3)C[C@H]2O)c1[O-] ZINC001023414050 657801869 /nfs/dbraw/zinc/80/18/69/657801869.db2.gz YTPQIXCUUAMQIV-QJPTWQEYSA-N -1 0 352.391 -0.316 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3(C)CCOCC3)C[C@H]2O)c1[O-] ZINC001023414066 657801774 /nfs/dbraw/zinc/80/17/74/657801774.db2.gz ZKQDGQAEUUDZBB-GHMZBOCLSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3nn(C)cc3Cl)C[C@H]2O)c1[O-] ZINC001023415359 657801852 /nfs/dbraw/zinc/80/18/52/657801852.db2.gz BDVFYBCHYPXZRH-RKDXNWHRSA-N -1 0 368.781 -0.574 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cc(Cl)no3)C[C@H]2O)c1[O-] ZINC001023415398 657801787 /nfs/dbraw/zinc/80/17/87/657801787.db2.gz BSNGZNQJSIYOPY-RNFRBKRXSA-N -1 0 355.738 -0.320 20 0 FBADRM COc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)o1 ZINC001023417120 657802806 /nfs/dbraw/zinc/80/28/06/657802806.db2.gz LTALTYITJFQPRJ-RKDXNWHRSA-N -1 0 350.331 -0.359 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC3=CCOCC3)C[C@H]2O)c1[O-] ZINC001023417164 657803062 /nfs/dbraw/zinc/80/30/62/657803062.db2.gz NCNVBEUGGRSFCD-VXGBXAGGSA-N -1 0 350.375 -0.538 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3c(C)[nH]nc3Cl)C[C@H]2O)c1[O-] ZINC001023417376 657802655 /nfs/dbraw/zinc/80/26/55/657802655.db2.gz PIAKLEQAYUGKBF-HTQZYQBOSA-N -1 0 368.781 -0.276 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]2O)c1[O-] ZINC001023417558 657802773 /nfs/dbraw/zinc/80/27/73/657802773.db2.gz RMFZPMQHPJZNHC-MVWJERBFSA-N -1 0 351.407 -0.790 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]2O)c1[O-] ZINC001023417559 657803070 /nfs/dbraw/zinc/80/30/70/657803070.db2.gz RMFZPMQHPJZNHC-YUSALJHKSA-N -1 0 351.407 -0.790 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3c(Cl)cnn3C)C[C@H]2O)c1[O-] ZINC001023417649 657803104 /nfs/dbraw/zinc/80/31/04/657803104.db2.gz TWWPAGGVIUWTGP-RKDXNWHRSA-N -1 0 368.781 -0.574 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@]3(C)CCCOC3)C[C@H]2O)c1[O-] ZINC001023417678 657803034 /nfs/dbraw/zinc/80/30/34/657803034.db2.gz UFCPSHREAYBYON-GLKRBJQHSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@]3(C)CCCOC3)C[C@H]2O)c1[O-] ZINC001023417680 657802814 /nfs/dbraw/zinc/80/28/14/657802814.db2.gz UFCPSHREAYBYON-UVWXRNBGSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CCc3nccs3)C[C@H]2O)c1[O-] ZINC001023419876 657805226 /nfs/dbraw/zinc/80/52/26/657805226.db2.gz GBROGTJFYUSHPW-NXEZZACHSA-N -1 0 365.415 -0.185 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CCCOC3)C[C@H]2O)c1[O-] ZINC001023419986 657805240 /nfs/dbraw/zinc/80/52/40/657805240.db2.gz GOIGIEKRKYMYGW-IJLUTSLNSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CCCOC3)C[C@H]2O)c1[O-] ZINC001023419989 657804935 /nfs/dbraw/zinc/80/49/35/657804935.db2.gz GOIGIEKRKYMYGW-QJPTWQEYSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cc3cncs3)C[C@H]2O)c1[O-] ZINC001023420097 657804998 /nfs/dbraw/zinc/80/49/98/657804998.db2.gz HJVFZXUDJTVLFW-NXEZZACHSA-N -1 0 351.388 -0.576 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@H]2O)c1[O-] ZINC001023420187 657804917 /nfs/dbraw/zinc/80/49/17/657804917.db2.gz IUCMCNCEGHBZNW-OOCWMUITSA-N -1 0 350.375 -0.707 20 0 FBADRM Cc1nc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)cs1 ZINC001023420405 657802829 /nfs/dbraw/zinc/80/28/29/657802829.db2.gz MBLOVEHJUNFJOA-GHMZBOCLSA-N -1 0 365.415 -0.267 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CCc3cncs3)C[C@H]2O)c1[O-] ZINC001023420501 657803869 /nfs/dbraw/zinc/80/38/69/657803869.db2.gz NFCUZDJGEKZUKN-GHMZBOCLSA-N -1 0 365.415 -0.185 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cn3cc(Cl)cn3)C[C@H]2O)c1[O-] ZINC001023420877 657804946 /nfs/dbraw/zinc/80/49/46/657804946.db2.gz RAWHPTDOUUTGLY-NXEZZACHSA-N -1 0 368.781 -0.725 20 0 FBADRM CCc1nnsc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001023420940 657805205 /nfs/dbraw/zinc/80/52/05/657805205.db2.gz SJNCVGHXYACBCH-RKDXNWHRSA-N -1 0 366.403 -0.547 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cnc(Cl)n3C)C[C@H]2O)c1[O-] ZINC001023421080 657805829 /nfs/dbraw/zinc/80/58/29/657805829.db2.gz VAUSUBHTMRWLTI-VXNVDRBHSA-N -1 0 368.781 -0.574 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cc3cscn3)C[C@H]2O)c1[O-] ZINC001023421149 657806156 /nfs/dbraw/zinc/80/61/56/657806156.db2.gz WOZJOBZQALYSIH-NXEZZACHSA-N -1 0 351.388 -0.576 20 0 FBADRM COc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)sn1 ZINC001023421282 657806040 /nfs/dbraw/zinc/80/60/40/657806040.db2.gz XZTMJPSQXFIQOV-HTQZYQBOSA-N -1 0 367.387 -0.496 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001023422205 657806028 /nfs/dbraw/zinc/80/60/28/657806028.db2.gz JJTVAIZUCRSYOC-BIAAXOCRSA-N -1 0 352.391 -0.460 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C(F)(F)F)C[C@H]2O)c1[O-] ZINC001023422249 657805928 /nfs/dbraw/zinc/80/59/28/657805928.db2.gz KBSZQTJRDWBVMC-LPBLVHEISA-N -1 0 350.297 -0.076 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C(F)(F)F)C[C@H]2O)c1[O-] ZINC001023422253 657806022 /nfs/dbraw/zinc/80/60/22/657806022.db2.gz KBSZQTJRDWBVMC-UIISKDMLSA-N -1 0 350.297 -0.076 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CCc3cscn3)C[C@H]2O)c1[O-] ZINC001023422847 657806137 /nfs/dbraw/zinc/80/61/37/657806137.db2.gz QGLGTYLOWWHZGA-GHMZBOCLSA-N -1 0 365.415 -0.185 20 0 FBADRM Cc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)cs1 ZINC001023422868 657805888 /nfs/dbraw/zinc/80/58/88/657805888.db2.gz QNFLSFYAJTVJCF-PSASIEDQSA-N -1 0 351.388 -0.196 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cnn(C)c3Cl)C[C@H]2O)c1[O-] ZINC001023423207 657805766 /nfs/dbraw/zinc/80/57/66/657805766.db2.gz VNQCKDSFJDLPEX-RKDXNWHRSA-N -1 0 368.781 -0.574 20 0 FBADRM COc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)co1 ZINC001023423216 657806054 /nfs/dbraw/zinc/80/60/54/657806054.db2.gz VSSUUXUEVDRHFH-VXNVDRBHSA-N -1 0 351.319 -0.964 20 0 FBADRM CO[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1)C1CCC1 ZINC001023423365 657805236 /nfs/dbraw/zinc/80/52/36/657805236.db2.gz ZNLYRAILWNPOMM-GYSYKLTISA-N -1 0 352.391 -0.460 20 0 FBADRM CO[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1)C1CCC1 ZINC001023423367 657804838 /nfs/dbraw/zinc/80/48/38/657804838.db2.gz ZNLYRAILWNPOMM-JTNHKYCSSA-N -1 0 352.391 -0.460 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3(F)CCOCC3)C[C@H]2O)c1[O-] ZINC001023423378 657805138 /nfs/dbraw/zinc/80/51/38/657805138.db2.gz ZSELYDFEZKDDGU-NXEZZACHSA-N -1 0 356.354 -0.756 20 0 FBADRM C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)O1 ZINC001023449895 657809043 /nfs/dbraw/zinc/80/90/43/657809043.db2.gz BMHOPEFKUAEWES-FRRDWIJNSA-N -1 0 352.439 -0.442 20 0 FBADRM C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)O1 ZINC001023449900 657809368 /nfs/dbraw/zinc/80/93/68/657809368.db2.gz BMHOPEFKUAEWES-JHJVBQTASA-N -1 0 352.439 -0.442 20 0 FBADRM Cc1nscc1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001023461294 657818783 /nfs/dbraw/zinc/81/87/83/657818783.db2.gz DOZZDVASLFFNGL-NXEZZACHSA-N -1 0 351.388 -0.196 20 0 FBADRM COc1cc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]2O)on1 ZINC001023471666 657827545 /nfs/dbraw/zinc/82/75/45/657827545.db2.gz OMVATXAFVRBXBJ-HTQZYQBOSA-N -1 0 351.319 -0.964 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O)c1ccoc1Cl ZINC001023525808 657845022 /nfs/dbraw/zinc/84/50/22/657845022.db2.gz ITQVDPDDMZYCJE-RNFRBKRXSA-N -1 0 369.721 -0.856 20 0 FBADRM Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]2O)ns1 ZINC001023531624 657848666 /nfs/dbraw/zinc/84/86/66/657848666.db2.gz PETVNTYJMRNKAP-NXEZZACHSA-N -1 0 351.388 -0.196 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCOCC3)C2)c1[O-] ZINC001023546227 657854961 /nfs/dbraw/zinc/85/49/61/657854961.db2.gz YCJGQNIOSYNTNX-IJLUTSLNSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCOCC3)C2)c1[O-] ZINC001023546228 657855053 /nfs/dbraw/zinc/85/50/53/657855053.db2.gz YCJGQNIOSYNTNX-QJPTWQEYSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CCC(O)CC3)C2)c1[O-] ZINC001023549907 657855443 /nfs/dbraw/zinc/85/54/43/657855443.db2.gz UOTXFZLZGRVBOP-KIDURHIOSA-N -1 0 352.391 -0.724 20 0 FBADRM CC1(C)CC(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2O)C1 ZINC001023576510 657868190 /nfs/dbraw/zinc/86/81/90/657868190.db2.gz ONQACFYWYAATAX-RKDXNWHRSA-N -1 0 351.363 -0.980 20 0 FBADRM CCOC1CC(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]2O)C1 ZINC001023581595 657868795 /nfs/dbraw/zinc/86/87/95/657868795.db2.gz CXNPPKMHXKLQGW-KIDURHIOSA-N -1 0 352.391 -0.460 20 0 FBADRM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001023593959 657875179 /nfs/dbraw/zinc/87/51/79/657875179.db2.gz HVCXZRKQCYXYOT-GRYCIOLGSA-N -1 0 350.423 -0.437 20 0 FBADRM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001023593960 657874789 /nfs/dbraw/zinc/87/47/89/657874789.db2.gz HVCXZRKQCYXYOT-SDDRHHMPSA-N -1 0 350.423 -0.437 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O)c1sccc1F ZINC001023595778 657879153 /nfs/dbraw/zinc/87/91/53/657879153.db2.gz RISJOCOYMVPCEX-RNFRBKRXSA-N -1 0 369.334 -0.901 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001023596143 657879046 /nfs/dbraw/zinc/87/90/46/657879046.db2.gz JNAXXJDMBMNWRG-TUAOUCFPSA-N -1 0 350.423 -0.260 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001023596144 657878967 /nfs/dbraw/zinc/87/89/67/657878967.db2.gz JNAXXJDMBMNWRG-UTUOFQBUSA-N -1 0 350.423 -0.260 20 0 FBADRM Cc1csc(C(=O)N[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2O)c1 ZINC001023609424 657887662 /nfs/dbraw/zinc/88/76/62/657887662.db2.gz NMFDLGVZLXIBQB-RKDXNWHRSA-N -1 0 367.387 -0.939 20 0 FBADRM Cc1csc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2O)c1 ZINC001023609935 657888805 /nfs/dbraw/zinc/88/88/05/657888805.db2.gz XXDXAYFCGXPVCH-HTQZYQBOSA-N -1 0 365.371 -0.732 20 0 FBADRM Cc1sccc1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O ZINC001023618993 657893812 /nfs/dbraw/zinc/89/38/12/657893812.db2.gz VXVZAACANZTIDM-RKDXNWHRSA-N -1 0 365.371 -0.732 20 0 FBADRM Cc1sccc1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1O ZINC001023631562 657897537 /nfs/dbraw/zinc/89/75/37/657897537.db2.gz PVRRHXQSRBMCSZ-NXEZZACHSA-N -1 0 367.387 -0.939 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc(Cl)cn3)C2)c1[O-] ZINC001023730474 657929130 /nfs/dbraw/zinc/92/91/30/657929130.db2.gz ZFSVYEKAXGWUAS-NXEZZACHSA-N -1 0 368.781 -0.725 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cscn3)C2)c1[O-] ZINC001023749458 657938382 /nfs/dbraw/zinc/93/83/82/657938382.db2.gz HVEORGIPIGYHQW-NXEZZACHSA-N -1 0 351.388 -0.576 20 0 FBADRM CS[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001023762646 657945274 /nfs/dbraw/zinc/94/52/74/657945274.db2.gz JEWBHBLZKGCHFZ-FBIMIBRVSA-N -1 0 365.415 -0.924 20 0 FBADRM CS[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001023762647 657945520 /nfs/dbraw/zinc/94/55/20/657945520.db2.gz JEWBHBLZKGCHFZ-JMJZKYOTSA-N -1 0 365.415 -0.924 20 0 FBADRM CC(C)(F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001023762739 657945388 /nfs/dbraw/zinc/94/53/88/657945388.db2.gz NNPISGOXCURQDF-NXEZZACHSA-N -1 0 351.338 -0.928 20 0 FBADRM CC[C@@H](F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001023762868 657945373 /nfs/dbraw/zinc/94/53/73/657945373.db2.gz UJZYPMLPJKJITK-GMTAPVOTSA-N -1 0 351.338 -0.928 20 0 FBADRM CC[C@H](F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001023762869 657945459 /nfs/dbraw/zinc/94/54/59/657945459.db2.gz UJZYPMLPJKJITK-HBNTYKKESA-N -1 0 351.338 -0.928 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCCOC3)C2)c1[O-] ZINC001023819928 657963346 /nfs/dbraw/zinc/96/33/46/657963346.db2.gz HHQBCBXSGAOFCW-IJLUTSLNSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCCOC3)C2)c1[O-] ZINC001023819929 657963482 /nfs/dbraw/zinc/96/34/82/657963482.db2.gz HHQBCBXSGAOFCW-QJPTWQEYSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c(Cl)cnn3C)C2)c1[O-] ZINC001023857921 657973726 /nfs/dbraw/zinc/97/37/26/657973726.db2.gz QPPJGVNUDPQIHJ-RKDXNWHRSA-N -1 0 368.781 -0.574 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3nn(C)cc3Cl)C2)c1[O-] ZINC001023873305 657978519 /nfs/dbraw/zinc/97/85/19/657978519.db2.gz FNYJAHUIBKTMJB-RKDXNWHRSA-N -1 0 368.781 -0.574 20 0 FBADRM COc1cc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]2O)sn1 ZINC001023958756 658002369 /nfs/dbraw/zinc/00/23/69/658002369.db2.gz UGMQFRVRAMXWNK-HTQZYQBOSA-N -1 0 367.387 -0.496 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c(C)[nH]nc3Cl)C2)c1[O-] ZINC001024048493 658024739 /nfs/dbraw/zinc/02/47/39/658024739.db2.gz HQVNJQDXPZTJKH-HTQZYQBOSA-N -1 0 368.781 -0.276 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001024158054 658071600 /nfs/dbraw/zinc/07/16/00/658071600.db2.gz JQOXWGGYXIVNTE-TUAOUCFPSA-N -1 0 350.423 -0.260 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001024158055 658071951 /nfs/dbraw/zinc/07/19/51/658071951.db2.gz JQOXWGGYXIVNTE-UTUOFQBUSA-N -1 0 350.423 -0.260 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cncs3)C2)c1[O-] ZINC001024179200 658078806 /nfs/dbraw/zinc/07/88/06/658078806.db2.gz DUTBKYRTSSDCJX-NXEZZACHSA-N -1 0 351.388 -0.576 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3(F)CCOCC3)C2)c1[O-] ZINC001024227406 658095074 /nfs/dbraw/zinc/09/50/74/658095074.db2.gz HAMPNYPNCMVICE-NXEZZACHSA-N -1 0 356.354 -0.756 20 0 FBADRM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O)C1CCC1 ZINC001024323127 658116144 /nfs/dbraw/zinc/11/61/44/658116144.db2.gz PWIDLLNUQLRYNG-FXBDTBDDSA-N -1 0 351.363 -0.980 20 0 FBADRM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O)C1CCC1 ZINC001024323128 658116086 /nfs/dbraw/zinc/11/60/86/658116086.db2.gz PWIDLLNUQLRYNG-SZEHBUNVSA-N -1 0 351.363 -0.980 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001024373351 658135800 /nfs/dbraw/zinc/13/58/00/658135800.db2.gz GBVCQOZOKVLUQQ-BIAAXOCRSA-N -1 0 352.391 -0.460 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O)c1ccc(F)s1 ZINC001024408673 658148029 /nfs/dbraw/zinc/14/80/29/658148029.db2.gz RTUKIUKXXHMOBB-PHDIDXHHSA-N -1 0 369.334 -0.901 20 0 FBADRM C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@@H]2CCCCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001024443249 658164087 /nfs/dbraw/zinc/16/40/87/658164087.db2.gz FXJJFICCKAAGPD-GRYCIOLGSA-N -1 0 350.423 -0.104 20 0 FBADRM C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2CCCCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001024443251 658163979 /nfs/dbraw/zinc/16/39/79/658163979.db2.gz FXJJFICCKAAGPD-IJLUTSLNSA-N -1 0 350.423 -0.104 20 0 FBADRM CSCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1 ZINC001024474132 658174223 /nfs/dbraw/zinc/17/42/23/658174223.db2.gz GKVBJOFCOZNSPH-CHWSQXEVSA-N -1 0 370.475 -0.574 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@H]2O)cc1=O ZINC001024474331 658175142 /nfs/dbraw/zinc/17/51/42/658175142.db2.gz KQDBAOJIRVLIHW-ZIAGYGMSSA-N -1 0 350.419 -0.527 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@H]2O)cc1=O ZINC001024474572 658175157 /nfs/dbraw/zinc/17/51/57/658175157.db2.gz OTGOQPAHTCUDTR-GHMZBOCLSA-N -1 0 360.361 -0.672 20 0 FBADRM CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1 ZINC001024474632 658174954 /nfs/dbraw/zinc/17/49/54/658174954.db2.gz PKYAUBFBJUTCAY-ZIAGYGMSSA-N -1 0 352.435 -0.137 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H]2CN(C(=O)C(C)C)C[C@H]2O)cc1=O ZINC001024474848 658175207 /nfs/dbraw/zinc/17/52/07/658175207.db2.gz STXZLKYBECAADD-ZIAGYGMSSA-N -1 0 352.435 -0.281 20 0 FBADRM CCc1nnsc1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001024486285 658176840 /nfs/dbraw/zinc/17/68/40/658176840.db2.gz QJVNIIGMHVJSCJ-RKDXNWHRSA-N -1 0 366.403 -0.547 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn(C)c3Cl)C2)c1[O-] ZINC001024501498 658189213 /nfs/dbraw/zinc/18/92/13/658189213.db2.gz GYJGGAHYWBLUCA-RKDXNWHRSA-N -1 0 368.781 -0.574 20 0 FBADRM C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCCCN2Cc2n[nH]c(=O)[n-]2)O1 ZINC001024506336 658191259 /nfs/dbraw/zinc/19/12/59/658191259.db2.gz KUTZSNSOFFMNAK-FRRDWIJNSA-N -1 0 352.439 -0.300 20 0 FBADRM C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCCCN2Cc2n[nH]c(=O)[n-]2)O1 ZINC001024506337 658191041 /nfs/dbraw/zinc/19/10/41/658191041.db2.gz KUTZSNSOFFMNAK-JHJVBQTASA-N -1 0 352.439 -0.300 20 0 FBADRM Cc1c(Cl)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]n3)C2)nn1C ZINC001024550686 658204615 /nfs/dbraw/zinc/20/46/15/658204615.db2.gz FVOBBHCVZXUZFE-RKDXNWHRSA-N -1 0 353.770 -0.885 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2conc2C(F)(F)F)C[C@H]1O)c1cn[nH]n1 ZINC001024550743 658204523 /nfs/dbraw/zinc/20/45/23/658204523.db2.gz IPQLRTQOCNASFC-HTQZYQBOSA-N -1 0 360.252 -0.573 20 0 FBADRM CC(C)c1ncsc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001024550751 658204980 /nfs/dbraw/zinc/20/49/80/658204980.db2.gz IZRNHLSVJOIKAP-NXEZZACHSA-N -1 0 350.404 0.000 20 0 FBADRM CCn1nc(C)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]n3)C2)c1Cl ZINC001024550818 658205333 /nfs/dbraw/zinc/20/53/33/658205333.db2.gz LEPIPYQCLIXCPW-NXEZZACHSA-N -1 0 367.797 -0.402 20 0 FBADRM O=C(COc1ccccc1Cl)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001024550829 658205041 /nfs/dbraw/zinc/20/50/41/658205041.db2.gz LNIGBIFVEVFARK-VXGBXAGGSA-N -1 0 365.777 -0.161 20 0 FBADRM O=C(Cc1csc2nccn12)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001024550933 658205176 /nfs/dbraw/zinc/20/51/76/658205176.db2.gz NORANTYUMNRGJW-GHMZBOCLSA-N -1 0 361.387 -0.942 20 0 FBADRM Cc1csc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]n3)C2)n1 ZINC001024550987 658204776 /nfs/dbraw/zinc/20/47/76/658204776.db2.gz ONUZVEIFAPMKPR-GHMZBOCLSA-N -1 0 350.404 -0.496 20 0 FBADRM CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1)[C@H]1CCCCO1 ZINC001024550991 658204895 /nfs/dbraw/zinc/20/48/95/658204895.db2.gz ORBXBLBYJRZQSH-JHJVBQTASA-N -1 0 351.407 -0.299 20 0 FBADRM CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1)[C@@H]1CCCCO1 ZINC001024550992 658205151 /nfs/dbraw/zinc/20/51/51/658205151.db2.gz ORBXBLBYJRZQSH-UPJWGTAASA-N -1 0 351.407 -0.299 20 0 FBADRM Cc1nc(N(C)C)sc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001024551109 658204790 /nfs/dbraw/zinc/20/47/90/658204790.db2.gz RYFVIQXGJKCQOU-NXEZZACHSA-N -1 0 365.419 -0.749 20 0 FBADRM Cc1nn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]n3)C2)c(C)c1Cl ZINC001024551116 658205128 /nfs/dbraw/zinc/20/51/28/658205128.db2.gz SAWCQHMNCRKBQA-GHMZBOCLSA-N -1 0 367.797 -0.727 20 0 FBADRM Cc1nn(C)c(Cl)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001024551914 658204805 /nfs/dbraw/zinc/20/48/05/658204805.db2.gz IADMAVPMVXAIAI-RKDXNWHRSA-N -1 0 353.770 -0.885 20 0 FBADRM O=C(CCn1cc(Cl)cn1)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001024551916 658204960 /nfs/dbraw/zinc/20/49/60/658204960.db2.gz IAJFYAHQDRXRNA-GHMZBOCLSA-N -1 0 353.770 -0.954 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2coc(Br)c2)C[C@H]1O)c1cn[nH]n1 ZINC001024552217 658204555 /nfs/dbraw/zinc/20/45/55/658204555.db2.gz OWSQKGYVDSPKLG-RKDXNWHRSA-N -1 0 370.163 -0.225 20 0 FBADRM COCc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]n3)C2)cs1 ZINC001024552243 658205236 /nfs/dbraw/zinc/20/52/36/658205236.db2.gz PMJPHUHBHZUDFJ-PSASIEDQSA-N -1 0 352.376 -0.977 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2ccc(C(F)F)nc2)C[C@H]1O)c1cn[nH]n1 ZINC001024552312 658205203 /nfs/dbraw/zinc/20/52/03/658205203.db2.gz QZMYMEPFYYSLDT-GHMZBOCLSA-N -1 0 352.301 -0.247 20 0 FBADRM CC(C)n1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]n3)C2)c1Cl ZINC001024552331 658204493 /nfs/dbraw/zinc/20/44/93/658204493.db2.gz RMJQGGCMXAMNGY-GHMZBOCLSA-N -1 0 367.797 -0.149 20 0 FBADRM Cc1noc(Cl)c1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001024552339 658205255 /nfs/dbraw/zinc/20/52/55/658205255.db2.gz ROGHHWGOHSNODX-GHMZBOCLSA-N -1 0 368.781 -0.311 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc(Cl)n3C)C2)c1[O-] ZINC001024641657 658239737 /nfs/dbraw/zinc/23/97/37/658239737.db2.gz QJAWXTIZAQUMFJ-VXNVDRBHSA-N -1 0 368.781 -0.574 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCCN2Cc2n[nH]c(=O)[n-]2)O1 ZINC001024651241 658243806 /nfs/dbraw/zinc/24/38/06/658243806.db2.gz YHZPXVLZQIULNV-GARJFASQSA-N -1 0 352.395 -0.986 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCCN2Cc2n[nH]c(=O)[n-]2)O1 ZINC001024651242 658243723 /nfs/dbraw/zinc/24/37/23/658243723.db2.gz YHZPXVLZQIULNV-OUAUKWLOSA-N -1 0 352.395 -0.986 20 0 FBADRM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001024652567 658244633 /nfs/dbraw/zinc/24/46/33/658244633.db2.gz POYSOBNWJCOOIY-GRYCIOLGSA-N -1 0 350.423 -0.295 20 0 FBADRM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC001024652568 658244944 /nfs/dbraw/zinc/24/49/44/658244944.db2.gz POYSOBNWJCOOIY-SDDRHHMPSA-N -1 0 350.423 -0.295 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001024655700 658245659 /nfs/dbraw/zinc/24/56/59/658245659.db2.gz ANYMSPNMOBXODN-GRYCIOLGSA-N -1 0 350.423 -0.117 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001024655702 658245507 /nfs/dbraw/zinc/24/55/07/658245507.db2.gz ANYMSPNMOBXODN-WOPDTQHZSA-N -1 0 350.423 -0.117 20 0 FBADRM Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2O)cs1 ZINC001024667804 658251876 /nfs/dbraw/zinc/25/18/76/658251876.db2.gz KSFRUPUZCSCLFX-RKDXNWHRSA-N -1 0 365.371 -0.732 20 0 FBADRM Cc1cc(C(=O)N[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2O)cs1 ZINC001024668104 658252143 /nfs/dbraw/zinc/25/21/43/658252143.db2.gz QDUCGCCZTLWBPC-NXEZZACHSA-N -1 0 367.387 -0.939 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3(C)CCOCC3)C2)c1[O-] ZINC001024676882 658257257 /nfs/dbraw/zinc/25/72/57/658257257.db2.gz ZRFLOPAIMWSOPK-GHMZBOCLSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn(C)nc3Cl)C2)c1[O-] ZINC001024688102 658262169 /nfs/dbraw/zinc/26/21/69/658262169.db2.gz LSCZTCLGPIESRG-RKDXNWHRSA-N -1 0 368.781 -0.574 20 0 FBADRM CS[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001024763720 658283695 /nfs/dbraw/zinc/28/36/95/658283695.db2.gz CVXTWYVLYBEBSC-FXBDTBDDSA-N -1 0 366.399 -0.019 20 0 FBADRM CS[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001024763721 658283480 /nfs/dbraw/zinc/28/34/80/658283480.db2.gz CVXTWYVLYBEBSC-SZEHBUNVSA-N -1 0 366.399 -0.019 20 0 FBADRM CC(F)(F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001024763941 658283712 /nfs/dbraw/zinc/28/37/12/658283712.db2.gz FFUAOPRBSOZNEJ-HTQZYQBOSA-N -1 0 356.285 -0.115 20 0 FBADRM CC(C)(F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001024764446 658284792 /nfs/dbraw/zinc/28/47/92/658284792.db2.gz KOJMAHMLLDKANA-RKDXNWHRSA-N -1 0 352.322 -0.022 20 0 FBADRM CO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001024764728 658284600 /nfs/dbraw/zinc/28/46/00/658284600.db2.gz NJIMZMBDSBIHFA-FXBDTBDDSA-N -1 0 350.331 -0.735 20 0 FBADRM CO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001024764729 658284324 /nfs/dbraw/zinc/28/43/24/658284324.db2.gz NJIMZMBDSBIHFA-SZEHBUNVSA-N -1 0 350.331 -0.735 20 0 FBADRM CSCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001024764866 658284694 /nfs/dbraw/zinc/28/46/94/658284694.db2.gz NVROHMOWOWDEOT-RKDXNWHRSA-N -1 0 352.372 -0.407 20 0 FBADRM CC[C@H](F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001024765730 658284304 /nfs/dbraw/zinc/28/43/04/658284304.db2.gz AOTFWKPCZBQOIZ-FXBDTBDDSA-N -1 0 352.322 -0.022 20 0 FBADRM CC[C@@H](F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001024765732 658284769 /nfs/dbraw/zinc/28/47/69/658284769.db2.gz AOTFWKPCZBQOIZ-SZEHBUNVSA-N -1 0 352.322 -0.022 20 0 FBADRM COc1nc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]2O)co1 ZINC001024820524 658297952 /nfs/dbraw/zinc/29/79/52/658297952.db2.gz HZAYFALCQMRSNR-VXNVDRBHSA-N -1 0 351.319 -0.964 20 0 FBADRM CC1(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2O)CCCC1 ZINC001024839784 658308741 /nfs/dbraw/zinc/30/87/41/658308741.db2.gz JTFJWOHZENQYEU-RKDXNWHRSA-N -1 0 351.363 -0.835 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)C2CCCCC2)C[C@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001024862017 658313403 /nfs/dbraw/zinc/31/34/03/658313403.db2.gz ADBWANPPTITDSJ-NXEZZACHSA-N -1 0 351.363 -0.835 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2occc2Cl)C[C@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001024862054 658313689 /nfs/dbraw/zinc/31/36/89/658313689.db2.gz ATTHMQRXXYUCRO-RNFRBKRXSA-N -1 0 369.721 -0.856 20 0 FBADRM Cc1sccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001024862077 658313585 /nfs/dbraw/zinc/31/35/85/658313585.db2.gz BIQZQZXDAHSKMC-RKDXNWHRSA-N -1 0 365.371 -0.732 20 0 FBADRM CC(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001024862122 658313418 /nfs/dbraw/zinc/31/34/18/658313418.db2.gz CZHUFOWLTDFMGB-RKDXNWHRSA-N -1 0 353.379 -0.734 20 0 FBADRM O=C(CC1CCCC1)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001024862482 658313604 /nfs/dbraw/zinc/31/36/04/658313604.db2.gz JUVQJRDVUJNPLM-NXEZZACHSA-N -1 0 351.363 -0.835 20 0 FBADRM CC1(C)CC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC001024862927 658313759 /nfs/dbraw/zinc/31/37/59/658313759.db2.gz MQOOYYOLZOWRFA-RKDXNWHRSA-N -1 0 351.363 -0.980 20 0 FBADRM Cc1csc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)c1 ZINC001024862954 658313835 /nfs/dbraw/zinc/31/38/35/658313835.db2.gz NKXIBBSNCMQQQZ-HTQZYQBOSA-N -1 0 365.371 -0.732 20 0 FBADRM CCC[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001024863047 658313709 /nfs/dbraw/zinc/31/37/09/658313709.db2.gz NZSOXMMUCNQFRS-ZYUZMQFOSA-N -1 0 351.363 -0.980 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2ccoc2Cl)C[C@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001024863075 658313656 /nfs/dbraw/zinc/31/36/56/658313656.db2.gz OXOBFMDKPDDROM-RNFRBKRXSA-N -1 0 369.721 -0.856 20 0 FBADRM Cc1ccsc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001024863094 658313520 /nfs/dbraw/zinc/31/35/20/658313520.db2.gz POZQCHJZULNHOW-HTQZYQBOSA-N -1 0 365.371 -0.732 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2ccc(Cl)o2)C[C@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001024863186 658313891 /nfs/dbraw/zinc/31/38/91/658313891.db2.gz TYCDMHPRJJFSCX-PHDIDXHHSA-N -1 0 369.721 -0.856 20 0 FBADRM Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)cs1 ZINC001024863204 658313595 /nfs/dbraw/zinc/31/35/95/658313595.db2.gz UVRAXUIOXGRIBJ-RKDXNWHRSA-N -1 0 365.371 -0.732 20 0 FBADRM O=C(CCC1CCC1)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001024863208 658313944 /nfs/dbraw/zinc/31/39/44/658313944.db2.gz UXKPICUCQRQWID-NXEZZACHSA-N -1 0 351.363 -0.835 20 0 FBADRM Cc1cscc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001024863225 658313573 /nfs/dbraw/zinc/31/35/73/658313573.db2.gz VUIUWNMGWRYDBV-RKDXNWHRSA-N -1 0 365.371 -0.732 20 0 FBADRM CC(C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1 ZINC001024863227 658313727 /nfs/dbraw/zinc/31/37/27/658313727.db2.gz VVSGUCODAFSCDA-RKDXNWHRSA-N -1 0 351.363 -0.980 20 0 FBADRM Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)s1 ZINC001024863231 658313508 /nfs/dbraw/zinc/31/35/08/658313508.db2.gz WABDBYPMYPONPH-HTQZYQBOSA-N -1 0 365.371 -0.732 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2sccc2F)C[C@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001024863257 658313745 /nfs/dbraw/zinc/31/37/45/658313745.db2.gz XNYZKZNLVBCGIC-RNFRBKRXSA-N -1 0 369.334 -0.901 20 0 FBADRM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CCC1 ZINC001024863432 658313667 /nfs/dbraw/zinc/31/36/67/658313667.db2.gz BUCMIBOMQDZHMY-FXBDTBDDSA-N -1 0 351.363 -0.980 20 0 FBADRM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CCC1 ZINC001024863433 658313480 /nfs/dbraw/zinc/31/34/80/658313480.db2.gz BUCMIBOMQDZHMY-SZEHBUNVSA-N -1 0 351.363 -0.980 20 0 FBADRM CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CCCC1 ZINC001024863816 658313779 /nfs/dbraw/zinc/31/37/79/658313779.db2.gz HOOCWQNJOFNZKY-RKDXNWHRSA-N -1 0 351.363 -0.835 20 0 FBADRM CCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)CCC1 ZINC001024864060 658313528 /nfs/dbraw/zinc/31/35/28/658313528.db2.gz LMKQKVVNNLNICA-RKDXNWHRSA-N -1 0 351.363 -0.835 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2ccc(F)s2)C[C@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001024864291 658313768 /nfs/dbraw/zinc/31/37/68/658313768.db2.gz PAJLUJUHEQTXAB-PHDIDXHHSA-N -1 0 369.334 -0.901 20 0 FBADRM C[C@@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC001024864307 658313540 /nfs/dbraw/zinc/31/35/40/658313540.db2.gz PZDDCCDKLCPFCO-FXBDTBDDSA-N -1 0 351.363 -0.980 20 0 FBADRM C[C@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC001024864308 658313714 /nfs/dbraw/zinc/31/37/14/658313714.db2.gz PZDDCCDKLCPFCO-SZEHBUNVSA-N -1 0 351.363 -0.980 20 0 FBADRM CCC(C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001024864314 658314142 /nfs/dbraw/zinc/31/41/42/658314142.db2.gz QCCANURIUHAMLN-RKDXNWHRSA-N -1 0 353.379 -0.589 20 0 FBADRM CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C1CC1 ZINC001024864315 658314353 /nfs/dbraw/zinc/31/43/53/658314353.db2.gz QFXTXHJYRMSEBN-RKDXNWHRSA-N -1 0 351.363 -0.980 20 0 FBADRM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C(C)(C)C ZINC001024864566 658314246 /nfs/dbraw/zinc/31/42/46/658314246.db2.gz TVBGPXHNIITHFK-DJLDLDEBSA-N -1 0 353.379 -0.734 20 0 FBADRM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)C(C)(C)C ZINC001024864567 658314482 /nfs/dbraw/zinc/31/44/82/658314482.db2.gz TVBGPXHNIITHFK-IWSPIJDZSA-N -1 0 353.379 -0.734 20 0 FBADRM CC1(C)CC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001024864733 658314301 /nfs/dbraw/zinc/31/43/01/658314301.db2.gz XSSLGMNAMUPLGS-DJLDLDEBSA-N -1 0 351.363 -0.980 20 0 FBADRM CC1(C)CC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001024864734 658314183 /nfs/dbraw/zinc/31/41/83/658314183.db2.gz XSSLGMNAMUPLGS-IWSPIJDZSA-N -1 0 351.363 -0.980 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(Cl)n(C)n3)C2)c1[O-] ZINC001024876708 658315772 /nfs/dbraw/zinc/31/57/72/658315772.db2.gz HDXFZTLJPUGNMX-RKDXNWHRSA-N -1 0 368.781 -0.574 20 0 FBADRM CCC(C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001024960600 658340604 /nfs/dbraw/zinc/34/06/04/658340604.db2.gz CNLZPBNFGDWQCS-NXEZZACHSA-N -1 0 355.395 -0.797 20 0 FBADRM Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)s1 ZINC001024960686 658340207 /nfs/dbraw/zinc/34/02/07/658340207.db2.gz POYSWRVEYFSUGH-RKDXNWHRSA-N -1 0 367.387 -0.939 20 0 FBADRM Cc1ccsc1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001024961171 658341182 /nfs/dbraw/zinc/34/11/82/658341182.db2.gz ZKEAOCCLBPFHRB-RKDXNWHRSA-N -1 0 367.387 -0.939 20 0 FBADRM Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)cs1 ZINC001024961202 658340519 /nfs/dbraw/zinc/34/05/19/658340519.db2.gz ACTHGHKRJPAINR-NXEZZACHSA-N -1 0 367.387 -0.939 20 0 FBADRM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C(C)(C)C ZINC001024961608 658341541 /nfs/dbraw/zinc/34/15/41/658341541.db2.gz ZBZLAODGVLFFNR-IVZWLZJFSA-N -1 0 355.395 -0.941 20 0 FBADRM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1)C(C)(C)C ZINC001024961609 658341220 /nfs/dbraw/zinc/34/12/20/658341220.db2.gz ZBZLAODGVLFFNR-OPRDCNLKSA-N -1 0 355.395 -0.941 20 0 FBADRM Cc1cscc1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001024962101 658341128 /nfs/dbraw/zinc/34/11/28/658341128.db2.gz LNDRFIZFYRTGEE-NXEZZACHSA-N -1 0 367.387 -0.939 20 0 FBADRM Cc1csc(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)c1 ZINC001024962103 658341456 /nfs/dbraw/zinc/34/14/56/658341456.db2.gz LUMYLQHXVGDCOB-RKDXNWHRSA-N -1 0 367.387 -0.939 20 0 FBADRM Cc1sccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001024962210 658341367 /nfs/dbraw/zinc/34/13/67/658341367.db2.gz NDLXTYGSAGHDAE-NXEZZACHSA-N -1 0 367.387 -0.939 20 0 FBADRM CC(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001024962513 658341957 /nfs/dbraw/zinc/34/19/57/658341957.db2.gz SBUOFYOAWOWEKH-NXEZZACHSA-N -1 0 355.395 -0.941 20 0 FBADRM CCC(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001024992731 658347848 /nfs/dbraw/zinc/34/78/48/658347848.db2.gz AGYQZACDBWVBQJ-VXGBXAGGSA-N -1 0 352.391 -0.776 20 0 FBADRM CC(C)=C(F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001024993484 658347349 /nfs/dbraw/zinc/34/73/49/658347349.db2.gz RXBRHRBVVWNTJF-NXEZZACHSA-N -1 0 354.338 -0.949 20 0 FBADRM CCC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001024993848 658347005 /nfs/dbraw/zinc/34/70/05/658347005.db2.gz XKEJFTVVUOCEQP-GHMZBOCLSA-N -1 0 352.391 -0.776 20 0 FBADRM CC(C)[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001024993888 658347394 /nfs/dbraw/zinc/34/73/94/658347394.db2.gz YZEPPZYJORVFNY-MVWJERBFSA-N -1 0 352.391 -0.921 20 0 FBADRM CC(C)[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001024993889 658347139 /nfs/dbraw/zinc/34/71/39/658347139.db2.gz YZEPPZYJORVFNY-YUSALJHKSA-N -1 0 352.391 -0.921 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001025046721 658365790 /nfs/dbraw/zinc/36/57/90/658365790.db2.gz HJWUNVKZYLMIBN-KKOKHZNYSA-N -1 0 352.391 -0.460 20 0 FBADRM CC1(C)CC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O ZINC001025143973 658393989 /nfs/dbraw/zinc/39/39/89/658393989.db2.gz HMOOJNZDXQKRJB-DJLDLDEBSA-N -1 0 351.363 -0.980 20 0 FBADRM CC1(C)CC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O ZINC001025143975 658393734 /nfs/dbraw/zinc/39/37/34/658393734.db2.gz HMOOJNZDXQKRJB-IWSPIJDZSA-N -1 0 351.363 -0.980 20 0 FBADRM CC(C)(C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O)C1CC1 ZINC001025159576 658399313 /nfs/dbraw/zinc/39/93/13/658399313.db2.gz WKBZJGKWKCBGBT-RKDXNWHRSA-N -1 0 351.363 -0.980 20 0 FBADRM Cc1nc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]2O)cs1 ZINC001025199193 658418238 /nfs/dbraw/zinc/41/82/38/658418238.db2.gz KNZWDSKUXUASGN-PSASIEDQSA-N -1 0 351.388 -0.196 20 0 FBADRM COc1ccc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]2O)o1 ZINC001025281773 658449737 /nfs/dbraw/zinc/44/97/37/658449737.db2.gz USSDTGGSQGBNRU-RKDXNWHRSA-N -1 0 350.331 -0.359 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@]3(C)CCCOC3)C2)c1[O-] ZINC001025319778 658467596 /nfs/dbraw/zinc/46/75/96/658467596.db2.gz PLLGGFXSHCCHGK-GLKRBJQHSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@]3(C)CCCOC3)C2)c1[O-] ZINC001025319779 658467332 /nfs/dbraw/zinc/46/73/32/658467332.db2.gz PLLGGFXSHCCHGK-UVWXRNBGSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(Cl)no3)C2)c1[O-] ZINC001025403564 658502053 /nfs/dbraw/zinc/50/20/53/658502053.db2.gz VIBVDAPOTBJPQJ-RNFRBKRXSA-N -1 0 355.738 -0.320 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CC3=CCOCC3)C2)c1[O-] ZINC001025492043 658526199 /nfs/dbraw/zinc/52/61/99/658526199.db2.gz FYOANCNFLWYGQD-VXGBXAGGSA-N -1 0 350.375 -0.538 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O)c1occc1Cl ZINC001025501775 658531569 /nfs/dbraw/zinc/53/15/69/658531569.db2.gz BPFORNHMCQRIFX-RNFRBKRXSA-N -1 0 369.721 -0.856 20 0 FBADRM CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O ZINC001025530122 658542147 /nfs/dbraw/zinc/54/21/47/658542147.db2.gz CRPBRSBNXOAYKQ-ZYUZMQFOSA-N -1 0 351.363 -0.980 20 0 FBADRM Cc1nc(CC(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]2O)cs1 ZINC001025729298 658604616 /nfs/dbraw/zinc/60/46/16/658604616.db2.gz FCARGDSILWPNLM-GHMZBOCLSA-N -1 0 365.415 -0.267 20 0 FBADRM CSCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC001025747990 658625406 /nfs/dbraw/zinc/62/54/06/658625406.db2.gz AFZYJLRQOGJZNF-VXGBXAGGSA-N -1 0 362.411 0.000 20 0 FBADRM O=C(N[C@@H]1CN(C(=O)C(F)F)C[C@H]1O)c1n[n-]c2ccccc2c1=O ZINC001025748602 658625126 /nfs/dbraw/zinc/62/51/26/658625126.db2.gz LVTXONPUKJMHDD-NXEZZACHSA-N -1 0 352.297 -0.098 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)c1[O-] ZINC001025760628 658628069 /nfs/dbraw/zinc/62/80/69/658628069.db2.gz ASMWBXZOVAZYDQ-OOCWMUITSA-N -1 0 350.375 -0.707 20 0 FBADRM C[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001026623488 658687933 /nfs/dbraw/zinc/68/79/33/658687933.db2.gz AWVRULNBROMYPS-RKDXNWHRSA-N -1 0 351.363 -0.835 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC001026624924 658688171 /nfs/dbraw/zinc/68/81/71/658688171.db2.gz MVWKOJYRUYUFCE-FKTZTGRPSA-N -1 0 356.329 -0.282 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2CC2(F)F)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC001026624925 658688883 /nfs/dbraw/zinc/68/88/83/658688883.db2.gz MVWKOJYRUYUFCE-SZEHBUNVSA-N -1 0 356.329 -0.282 20 0 FBADRM C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001027414866 658784183 /nfs/dbraw/zinc/78/41/83/658784183.db2.gz YNRHXQQFGIDDIU-GRYCIOLGSA-N -1 0 350.423 -0.152 20 0 FBADRM C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001027414867 658784013 /nfs/dbraw/zinc/78/40/13/658784013.db2.gz YNRHXQQFGIDDIU-IJLUTSLNSA-N -1 0 350.423 -0.152 20 0 FBADRM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001027577690 658810575 /nfs/dbraw/zinc/81/05/75/658810575.db2.gz QZDLPDIEINSFBI-TUAOUCFPSA-N -1 0 350.423 -0.343 20 0 FBADRM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001027577691 658810769 /nfs/dbraw/zinc/81/07/69/658810769.db2.gz QZDLPDIEINSFBI-UTUOFQBUSA-N -1 0 350.423 -0.343 20 0 FBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001027578966 658810716 /nfs/dbraw/zinc/81/07/16/658810716.db2.gz YVWZFGNLOXTYGW-GRYCIOLGSA-N -1 0 350.423 -0.165 20 0 FBADRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001027578967 658810208 /nfs/dbraw/zinc/81/02/08/658810208.db2.gz YVWZFGNLOXTYGW-WOPDTQHZSA-N -1 0 350.423 -0.165 20 0 FBADRM O=C(NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001028048310 658870391 /nfs/dbraw/zinc/87/03/91/658870391.db2.gz USCMJIHKAPFEPI-KZVDOYCCSA-N -1 0 351.407 -0.358 20 0 FBADRM O=C(NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001028048311 658870535 /nfs/dbraw/zinc/87/05/35/658870535.db2.gz USCMJIHKAPFEPI-ZJQBRPOHSA-N -1 0 351.407 -0.358 20 0 FBADRM O=C(NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001028708732 658954636 /nfs/dbraw/zinc/95/46/36/658954636.db2.gz UHZFTBXVZWALQT-OWTLIXCDSA-N -1 0 351.407 -0.500 20 0 FBADRM O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001028708733 658954373 /nfs/dbraw/zinc/95/43/73/658954373.db2.gz UHZFTBXVZWALQT-ZJQBRPOHSA-N -1 0 351.407 -0.500 20 0 FBADRM C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2n[nH]c(=O)[n-]2)O1 ZINC001029356438 659012176 /nfs/dbraw/zinc/01/21/76/659012176.db2.gz NCYURZSDSOLSJV-FVCCEPFGSA-N -1 0 350.423 -0.595 20 0 FBADRM C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001029741075 659882171 /nfs/dbraw/zinc/88/21/71/659882171.db2.gz IAMREZNGYTYZAC-GRYCIOLGSA-N -1 0 350.423 -0.295 20 0 FBADRM C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H](C[N@H+](C)Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001029741076 659882075 /nfs/dbraw/zinc/88/20/75/659882075.db2.gz IAMREZNGYTYZAC-IJLUTSLNSA-N -1 0 350.423 -0.295 20 0 FBADRM O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001030527118 660109463 /nfs/dbraw/zinc/10/94/63/660109463.db2.gz LZKUPKHMIYNQQS-BDAKNGLRSA-N -1 0 351.285 -0.843 20 0 FBADRM O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001031771375 660226132 /nfs/dbraw/zinc/22/61/32/660226132.db2.gz MNNRSJHJXAHIGS-ZJUUUORDSA-N -1 0 365.312 -0.595 20 0 FBADRM CN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033291013 660488567 /nfs/dbraw/zinc/48/85/67/660488567.db2.gz FMOQMUOTGKUDRN-KZVDOYCCSA-N -1 0 351.407 -0.406 20 0 FBADRM CN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033291015 660488439 /nfs/dbraw/zinc/48/84/39/660488439.db2.gz FMOQMUOTGKUDRN-ZJQBRPOHSA-N -1 0 351.407 -0.406 20 0 FBADRM CCN(C(=O)[C@H]1C[C@@H](C)CC(=O)N1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033838209 660493285 /nfs/dbraw/zinc/49/32/85/660493285.db2.gz QERWXPFGBFIYMS-GRYCIOLGSA-N -1 0 350.423 -0.152 20 0 FBADRM CCN(C(=O)[C@H]1C[C@@H](C)CC(=O)N1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033838212 660493359 /nfs/dbraw/zinc/49/33/59/660493359.db2.gz QERWXPFGBFIYMS-IJLUTSLNSA-N -1 0 350.423 -0.152 20 0 FBADRM CCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033875130 660493644 /nfs/dbraw/zinc/49/36/44/660493644.db2.gz OROUQJODMLCFQA-FRRDWIJNSA-N -1 0 352.439 -0.348 20 0 FBADRM CCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033875131 660493711 /nfs/dbraw/zinc/49/37/11/660493711.db2.gz OROUQJODMLCFQA-JHJVBQTASA-N -1 0 352.439 -0.348 20 0 FBADRM CCN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033958731 660494836 /nfs/dbraw/zinc/49/48/36/660494836.db2.gz YNEBBEIUBSTETC-TUAOUCFPSA-N -1 0 350.423 -0.343 20 0 FBADRM CCN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033958732 660494826 /nfs/dbraw/zinc/49/48/26/660494826.db2.gz YNEBBEIUBSTETC-UTUOFQBUSA-N -1 0 350.423 -0.343 20 0 FBADRM CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033960641 660494832 /nfs/dbraw/zinc/49/48/32/660494832.db2.gz YRKXDHKAXJSEIV-GRYCIOLGSA-N -1 0 350.423 -0.165 20 0 FBADRM CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001033960642 660494812 /nfs/dbraw/zinc/49/48/12/660494812.db2.gz YRKXDHKAXJSEIV-WOPDTQHZSA-N -1 0 350.423 -0.165 20 0 FBADRM C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2CCCCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001034212206 660496025 /nfs/dbraw/zinc/49/60/25/660496025.db2.gz HIOJLSSGYSDZGU-GRYCIOLGSA-N -1 0 350.423 -0.104 20 0 FBADRM C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CCCCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001034212207 660495818 /nfs/dbraw/zinc/49/58/18/660495818.db2.gz HIOJLSSGYSDZGU-IJLUTSLNSA-N -1 0 350.423 -0.104 20 0 FBADRM C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CCCCN(Cc3n[nH]c(=O)[n-]3)C2)O1 ZINC001034272631 660496482 /nfs/dbraw/zinc/49/64/82/660496482.db2.gz NPCQCEOVUHFFCT-FRRDWIJNSA-N -1 0 352.439 -0.300 20 0 FBADRM C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCCCN(Cc3n[nH]c(=O)[n-]3)C2)O1 ZINC001034272632 660496588 /nfs/dbraw/zinc/49/65/88/660496588.db2.gz NPCQCEOVUHFFCT-JHJVBQTASA-N -1 0 352.439 -0.300 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001034397864 660498841 /nfs/dbraw/zinc/49/88/41/660498841.db2.gz CRAZYFHAFFXLEB-GRYCIOLGSA-N -1 0 350.423 -0.117 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCCCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001034397866 660498634 /nfs/dbraw/zinc/49/86/34/660498634.db2.gz CRAZYFHAFFXLEB-WOPDTQHZSA-N -1 0 350.423 -0.117 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCCCN(Cc3n[nH]c(=O)[n-]3)C2)O1 ZINC001034399853 660498732 /nfs/dbraw/zinc/49/87/32/660498732.db2.gz VBFMWQPDUSANPF-GARJFASQSA-N -1 0 352.395 -0.986 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCCN(Cc3n[nH]c(=O)[n-]3)C2)O1 ZINC001034399860 660498646 /nfs/dbraw/zinc/49/86/46/660498646.db2.gz VBFMWQPDUSANPF-OUAUKWLOSA-N -1 0 352.395 -0.986 20 0 FBADRM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034405844 660498513 /nfs/dbraw/zinc/49/85/13/660498513.db2.gz VKMZRJQJJVUXOE-GRYCIOLGSA-N -1 0 350.423 -0.295 20 0 FBADRM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001034405845 660498381 /nfs/dbraw/zinc/49/83/81/660498381.db2.gz VKMZRJQJJVUXOE-SDDRHHMPSA-N -1 0 350.423 -0.295 20 0 FBADRM CC(C)[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035372556 660503146 /nfs/dbraw/zinc/50/31/46/660503146.db2.gz JYMZFNCJMBFTSZ-DYEKYZERSA-N -1 0 353.423 -0.112 20 0 FBADRM CC(C)[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001035372557 660503347 /nfs/dbraw/zinc/50/33/47/660503347.db2.gz JYMZFNCJMBFTSZ-OBJOEFQTSA-N -1 0 353.423 -0.112 20 0 FBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)[C@]12CCC[C@H]1OCC2 ZINC001035443351 660505458 /nfs/dbraw/zinc/50/54/58/660505458.db2.gz CHSFBGBTXQFULY-HSMVNMDESA-N -1 0 351.407 -0.214 20 0 FBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)[C@]12CCC[C@H]1OCC2 ZINC001035443352 660505499 /nfs/dbraw/zinc/50/54/99/660505499.db2.gz CHSFBGBTXQFULY-OZVIIMIRSA-N -1 0 351.407 -0.214 20 0 FBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001035450939 660505694 /nfs/dbraw/zinc/50/56/94/660505694.db2.gz YUBGXVGGQQZBGA-KZVDOYCCSA-N -1 0 351.407 -0.358 20 0 FBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001035450940 660505741 /nfs/dbraw/zinc/50/57/41/660505741.db2.gz YUBGXVGGQQZBGA-ZJQBRPOHSA-N -1 0 351.407 -0.358 20 0 FBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)[C@@H]1CCO[C@H]1C1CC1 ZINC001035453165 660505371 /nfs/dbraw/zinc/50/53/71/660505371.db2.gz LWOXRYAPQNZKKA-BZPMIXESSA-N -1 0 351.407 -0.358 20 0 FBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)[C@@H]1CCO[C@H]1C1CC1 ZINC001035453167 660505505 /nfs/dbraw/zinc/50/55/05/660505505.db2.gz LWOXRYAPQNZKKA-SCRDCRAPSA-N -1 0 351.407 -0.358 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)N1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001035725781 660508088 /nfs/dbraw/zinc/50/80/88/660508088.db2.gz FCNQHPWODMRDKG-AAEUAGOBSA-N -1 0 351.407 -0.261 20 0 FBADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001038396145 662158892 /nfs/dbraw/zinc/15/88/92/662158892.db2.gz OCUVXVMYMDYEBN-QNSHHTMESA-N -1 0 365.312 -0.453 20 0 FBADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001038396146 662158852 /nfs/dbraw/zinc/15/88/52/662158852.db2.gz OCUVXVMYMDYEBN-SFGNSQDASA-N -1 0 365.312 -0.453 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001039648434 662161866 /nfs/dbraw/zinc/16/18/66/662161866.db2.gz OAZLGYDXPQRGLQ-FMSGJZPZSA-N -1 0 351.407 -0.121 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@](O)(CNC(=O)[C@]34C[C@H]3COC4)C2)c1[O-] ZINC001040067189 662164729 /nfs/dbraw/zinc/16/47/29/662164729.db2.gz XLNABWPUXPNIHL-HNHYXYPQSA-N -1 0 350.375 -0.847 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@@](O)(CNC(=O)[C@]34C[C@H]3COC4)C2)c1[O-] ZINC001040067191 662164774 /nfs/dbraw/zinc/16/47/74/662164774.db2.gz XLNABWPUXPNIHL-JQAFLVLXSA-N -1 0 350.375 -0.847 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001040397023 662169936 /nfs/dbraw/zinc/16/99/36/662169936.db2.gz QYRFDIFZVVYDDR-KEMUVXCRSA-N -1 0 351.363 -0.978 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)N1CC[C@](O)(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001040397024 662169920 /nfs/dbraw/zinc/16/99/20/662169920.db2.gz QYRFDIFZVVYDDR-XWRVAKJBSA-N -1 0 351.363 -0.978 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CN(c3cncc(Cl)n3)C[C@H]21 ZINC001040679837 662172836 /nfs/dbraw/zinc/17/28/36/662172836.db2.gz BECBCKDJUCNYOH-DTWKUNHWSA-N -1 0 365.781 -0.130 20 0 FBADRM CCc1nsc(N2C[C@@H]3CCN(C(=O)Cn4c(=O)[n-][nH]c4=O)[C@@H]3C2)n1 ZINC001040679846 662172881 /nfs/dbraw/zinc/17/28/81/662172881.db2.gz BWEJBNFYMVSGOG-DTWKUNHWSA-N -1 0 365.419 -0.160 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CN(c3ncncc3Cl)C[C@H]21 ZINC001040680041 662172851 /nfs/dbraw/zinc/17/28/51/662172851.db2.gz HELZQTXOBLJIOM-WCBMZHEXSA-N -1 0 365.781 -0.130 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CN(c3ncc(Cl)cn3)C[C@H]21 ZINC001040680113 662172808 /nfs/dbraw/zinc/17/28/08/662172808.db2.gz LGNBFHAXZYMNDO-WCBMZHEXSA-N -1 0 365.781 -0.130 20 0 FBADRM Cc1nsc(N2C[C@@H]3CCN(C(=O)Cn4c(=O)[n-][nH]c4=O)[C@@H]3C2)n1 ZINC001040680471 662172848 /nfs/dbraw/zinc/17/28/48/662172848.db2.gz UUOZJCZWDLRHEA-DTWKUNHWSA-N -1 0 351.392 -0.413 20 0 FBADRM Cc1nsc(N2C[C@@H]3CCN(C(=O)c4cnc([O-])n(C)c4=O)[C@@H]3C2)n1 ZINC001040783964 662173939 /nfs/dbraw/zinc/17/39/39/662173939.db2.gz PYNWGTZRUVPEAM-GXSJLCMTSA-N -1 0 362.415 -0.003 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H]3OCC[C@H]3C)C2)c1[O-] ZINC001040941636 662178353 /nfs/dbraw/zinc/17/83/53/662178353.db2.gz IEDAMXMBECGKEV-SULUZNBOSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@](O)(CNC(=O)[C@H]3OCC[C@H]3C)C2)c1[O-] ZINC001040941637 662178297 /nfs/dbraw/zinc/17/82/97/662178297.db2.gz IEDAMXMBECGKEV-YYFNMXAFSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3ncnc4scnc43)C[C@H]2O)c1[O-] ZINC001040974529 662180837 /nfs/dbraw/zinc/18/08/37/662180837.db2.gz CHLRKLSTXPKSGA-HTQZYQBOSA-N -1 0 361.387 -0.197 20 0 FBADRM CSc1ccnc(N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001040974945 662180788 /nfs/dbraw/zinc/18/07/88/662180788.db2.gz FYCUHLJVONSVGT-RKDXNWHRSA-N -1 0 350.404 -0.085 20 0 FBADRM CO[C@@H](C)c1nsc(N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001040974973 662180840 /nfs/dbraw/zinc/18/08/40/662180840.db2.gz GTSZMSPGTZNLFB-DJLDLDEBSA-N -1 0 368.419 -0.038 20 0 FBADRM CO[C@H](C)c1nsc(N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001040974981 662180872 /nfs/dbraw/zinc/18/08/72/662180872.db2.gz GTSZMSPGTZNLFB-IWSPIJDZSA-N -1 0 368.419 -0.038 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3cc(Cl)c(=O)[nH]n3)C[C@H]2O)c1[O-] ZINC001040976369 662181117 /nfs/dbraw/zinc/18/11/17/662181117.db2.gz REDWEAKHHZCZBZ-HTQZYQBOSA-N -1 0 354.754 -0.448 20 0 FBADRM COCCc1nsc(N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001040976633 662181140 /nfs/dbraw/zinc/18/11/40/662181140.db2.gz VEAYMKZBRIWSHU-RKDXNWHRSA-N -1 0 368.419 -0.556 20 0 FBADRM CCc1ncnc(N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)c1F ZINC001040976697 662181163 /nfs/dbraw/zinc/18/11/63/662181163.db2.gz VQNRGLIULRSDOU-NXEZZACHSA-N -1 0 350.354 -0.105 20 0 FBADRM COc1ncc(Cl)c(N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001040976754 662181125 /nfs/dbraw/zinc/18/11/25/662181125.db2.gz WEUMFUHBIUHRAH-RKDXNWHRSA-N -1 0 368.781 -0.145 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3nc(C)nc(C)c3F)C[C@H]2O)c1[O-] ZINC001040976866 662181200 /nfs/dbraw/zinc/18/12/00/662181200.db2.gz XAMZCXRMIBXGKX-NXEZZACHSA-N -1 0 350.354 -0.051 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001040988317 662182171 /nfs/dbraw/zinc/18/21/71/662182171.db2.gz HMELTXKIOOVYKR-KEMUVXCRSA-N -1 0 351.363 -0.978 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001040988318 662182071 /nfs/dbraw/zinc/18/20/71/662182071.db2.gz HMELTXKIOOVYKR-XWRVAKJBSA-N -1 0 351.363 -0.978 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@](O)(CNC(=O)[C@H]3CC[C@@H](C)O3)C2)c1[O-] ZINC001040994456 662182689 /nfs/dbraw/zinc/18/26/89/662182689.db2.gz NPOKWBIGENHBFL-RDGWCUKFSA-N -1 0 352.391 -0.316 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H]3CC[C@@H](C)O3)C2)c1[O-] ZINC001040994458 662182642 /nfs/dbraw/zinc/18/26/42/662182642.db2.gz NPOKWBIGENHBFL-ZYSBLVPFSA-N -1 0 352.391 -0.316 20 0 FBADRM CC(C)c1nsc(N2C[C@@H](O)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001041120488 662188994 /nfs/dbraw/zinc/18/89/94/662188994.db2.gz NAHJGWMGIQUZIO-HTQZYQBOSA-N -1 0 369.407 -0.970 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001041368843 662200316 /nfs/dbraw/zinc/20/03/16/662200316.db2.gz RAERUMWNOSIGRF-DETPVDSQSA-N -1 0 351.407 -0.261 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001041368847 662200421 /nfs/dbraw/zinc/20/04/21/662200421.db2.gz RAERUMWNOSIGRF-RBOXIYTFSA-N -1 0 351.407 -0.261 20 0 FBADRM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)c3c[n-]n4c3nccc4=O)C2)n1 ZINC001041370425 662200528 /nfs/dbraw/zinc/20/05/28/662200528.db2.gz YZEIRODROYHZLT-NXEZZACHSA-N -1 0 361.387 -0.838 20 0 FBADRM CCCc1nsc(N2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001041443168 662203444 /nfs/dbraw/zinc/20/34/44/662203444.db2.gz FTNMCDJOAJKFCO-RNFRBKRXSA-N -1 0 367.391 -0.934 20 0 FBADRM Cc1nc(Cl)cc(N2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001041443477 662203511 /nfs/dbraw/zinc/20/35/11/662203511.db2.gz JOFCPOMRNWYTHD-RNFRBKRXSA-N -1 0 367.753 -0.986 20 0 FBADRM CC(C)c1nsc(N2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001041444029 662203471 /nfs/dbraw/zinc/20/34/71/662203471.db2.gz WMLPODDYHVAURU-RNFRBKRXSA-N -1 0 367.391 -0.763 20 0 FBADRM CCc1nsc(N2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001042117722 662207309 /nfs/dbraw/zinc/20/73/09/662207309.db2.gz NATHXQDBJWDTJF-HTQZYQBOSA-N -1 0 353.408 -0.256 20 0 FBADRM CSc1ccnc(N2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001042117804 662207487 /nfs/dbraw/zinc/20/74/87/662207487.db2.gz OYGHEKTVRRGOQP-RKDXNWHRSA-N -1 0 365.419 -0.158 20 0 FBADRM C[C@@H]1CN(c2ncc(Cl)cn2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001042118073 662207280 /nfs/dbraw/zinc/20/72/80/662207280.db2.gz SFOCNKZYNWDSRA-VXNVDRBHSA-N -1 0 353.770 -0.226 20 0 FBADRM C[C@@H]1CN(c2ncncc2Cl)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001042118287 662207709 /nfs/dbraw/zinc/20/77/09/662207709.db2.gz XUSAAOQUDWLACN-VXNVDRBHSA-N -1 0 353.770 -0.226 20 0 FBADRM C[C@@H]1CN(c2cncc(Cl)n2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001042118346 662207755 /nfs/dbraw/zinc/20/77/55/662207755.db2.gz YQZBTYJQBWWBSK-HTQZYQBOSA-N -1 0 353.770 -0.226 20 0 FBADRM C[C@@H]1CN(c2cc(Cl)c(=O)[nH]n2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001042118427 662207676 /nfs/dbraw/zinc/20/76/76/662207676.db2.gz ZPMQNNXOPKVGRK-HTRCEHHLSA-N -1 0 369.769 -0.521 20 0 FBADRM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)c3cnc([O-])n(C)c3=O)C2)n1 ZINC001042415088 662209152 /nfs/dbraw/zinc/20/91/52/662209152.db2.gz NTMOIHVSYPHWNO-GMSGAONNSA-N -1 0 350.404 -0.099 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001042572223 662209840 /nfs/dbraw/zinc/20/98/40/662209840.db2.gz IBACVNKPZMINCJ-MNOVXSKESA-N -1 0 352.391 -0.458 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001042577512 662210057 /nfs/dbraw/zinc/21/00/57/662210057.db2.gz ZNITVMWLWPIHDN-MFKMUULPSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)c1[O-] ZINC001042580430 662210038 /nfs/dbraw/zinc/21/00/38/662210038.db2.gz QIFJYWURAJPPRJ-MXWKQRLJSA-N -1 0 350.375 -0.706 20 0 FBADRM C[C@@H]1CN(c2cncc(Cl)n2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001042663084 662210941 /nfs/dbraw/zinc/21/09/41/662210941.db2.gz MEKXBYYCRCKYDD-RNFRBKRXSA-N -1 0 351.754 -0.019 20 0 FBADRM C[C@@H]1CN(c2cc(Cl)c(=O)[nH]n2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001042663146 662210929 /nfs/dbraw/zinc/21/09/29/662210929.db2.gz OWHDFNRFMBUZPC-IYSWYEEDSA-N -1 0 367.753 -0.314 20 0 FBADRM C[C@@H]1CN(c2ncc(Cl)cn2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001042663175 662211075 /nfs/dbraw/zinc/21/10/75/662211075.db2.gz PYEGMEWIDPLNGJ-HTRCEHHLSA-N -1 0 351.754 -0.019 20 0 FBADRM C[C@@H]1CN(c2ncncc2Cl)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001042663223 662211037 /nfs/dbraw/zinc/21/10/37/662211037.db2.gz SDPRCTWSKQYFAR-HTRCEHHLSA-N -1 0 351.754 -0.019 20 0 FBADRM CCc1nsc(N2C[C@@H](C)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001042663263 662210994 /nfs/dbraw/zinc/21/09/94/662210994.db2.gz UZLYPEOSAJNXTM-RNFRBKRXSA-N -1 0 351.392 -0.049 20 0 FBADRM CO[C@@H]1CN(c2cccc(F)n2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001042868489 662215353 /nfs/dbraw/zinc/21/53/53/662215353.db2.gz DEUSCOBZVDWSOX-RKDXNWHRSA-N -1 0 352.326 -0.757 20 0 FBADRM CO[C@@H]1CN(c2cncc(Cl)n2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001042869137 662215309 /nfs/dbraw/zinc/21/53/09/662215309.db2.gz NZMUUHPNVXSVTI-HTQZYQBOSA-N -1 0 369.769 -0.847 20 0 FBADRM CO[C@@H]1CN(c2ncc(Cl)cn2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001042869220 662215297 /nfs/dbraw/zinc/21/52/97/662215297.db2.gz OTXZRPWSTJVZBM-RKDXNWHRSA-N -1 0 369.769 -0.847 20 0 FBADRM CCc1nsc(N2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H](OC)C2)n1 ZINC001042869267 662215280 /nfs/dbraw/zinc/21/52/80/662215280.db2.gz PYEFLCFXXMTPPB-HTQZYQBOSA-N -1 0 369.407 -0.877 20 0 FBADRM CO[C@@H]1CN(c2ncncc2Cl)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001042869710 662215311 /nfs/dbraw/zinc/21/53/11/662215311.db2.gz YCFVNLPRDZQLQL-RKDXNWHRSA-N -1 0 369.769 -0.847 20 0 FBADRM CO[C@@H]1CN(c2nc(C)ns2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC001042939323 662217507 /nfs/dbraw/zinc/21/75/07/662217507.db2.gz LAKJTZGSOUTHGK-NXEZZACHSA-N -1 0 366.403 -0.721 20 0 FBADRM CO[C@@H]1CN(c2ncncc2Cl)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001043026075 662221017 /nfs/dbraw/zinc/22/10/17/662221017.db2.gz BJUKDCCTRCHUBP-HTQZYQBOSA-N -1 0 367.753 -0.640 20 0 FBADRM CO[C@@H]1CN(c2cccc(F)n2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001043026135 662221157 /nfs/dbraw/zinc/22/11/57/662221157.db2.gz DKEORMPVAZYYHQ-HTQZYQBOSA-N -1 0 350.310 -0.550 20 0 FBADRM CO[C@@H]1CN(c2nc(C)ns2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001043026453 662221357 /nfs/dbraw/zinc/22/13/57/662221357.db2.gz LIAYANNTSCKOJK-RNFRBKRXSA-N -1 0 353.364 -0.924 20 0 FBADRM CO[C@@H]1CN(c2cncc(Cl)n2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001043026540 662221342 /nfs/dbraw/zinc/22/13/42/662221342.db2.gz MSPNHEDNEJUYBR-RNFRBKRXSA-N -1 0 367.753 -0.640 20 0 FBADRM CCc1nsc(N2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@H](OC)C2)n1 ZINC001043026601 662221359 /nfs/dbraw/zinc/22/13/59/662221359.db2.gz OLGHRFREPSOARR-RNFRBKRXSA-N -1 0 367.391 -0.670 20 0 FBADRM CO[C@@H]1CN(c2ncc(Cl)cn2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001043026655 662221276 /nfs/dbraw/zinc/22/12/76/662221276.db2.gz RGEZPJOWHOCREG-HTQZYQBOSA-N -1 0 367.753 -0.640 20 0 FBADRM CN(C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001043087166 662222487 /nfs/dbraw/zinc/22/24/87/662222487.db2.gz DVQMKPARLCJVMA-ZJUUUORDSA-N -1 0 365.312 -0.501 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1Nc1cc(Cl)c(=O)[nH]n1 ZINC001043277274 662228120 /nfs/dbraw/zinc/22/81/20/662228120.db2.gz PEUPVRSLSNEACX-HTRCEHHLSA-N -1 0 369.769 -0.203 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)NCC1(O)CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001043659401 662233552 /nfs/dbraw/zinc/23/35/52/662233552.db2.gz QMRGIDVAVKUIFK-MFKMUULPSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1nsc(N2C[C@H]3OCCN(C(=O)c4n[nH]c(=O)[n-]c4=O)[C@H]3C2)n1 ZINC001043819104 662240514 /nfs/dbraw/zinc/24/05/14/662240514.db2.gz UZQBOTBNJMHAAK-JGVFFNPUSA-N -1 0 365.375 -0.827 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3ncnc4scnc43)C[C@@H]2O)c1[O-] ZINC001043892651 662243848 /nfs/dbraw/zinc/24/38/48/662243848.db2.gz CHLRKLSTXPKSGA-SFYZADRCSA-N -1 0 361.387 -0.197 20 0 FBADRM CSc1ccnc(N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)n1 ZINC001043892831 662244140 /nfs/dbraw/zinc/24/41/40/662244140.db2.gz FYCUHLJVONSVGT-BDAKNGLRSA-N -1 0 350.404 -0.085 20 0 FBADRM CO[C@H](C)c1nsc(N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)n1 ZINC001043892875 662244074 /nfs/dbraw/zinc/24/40/74/662244074.db2.gz GTSZMSPGTZNLFB-HLTSFMKQSA-N -1 0 368.419 -0.038 20 0 FBADRM CO[C@@H](C)c1nsc(N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)n1 ZINC001043892877 662244098 /nfs/dbraw/zinc/24/40/98/662244098.db2.gz GTSZMSPGTZNLFB-YIZRAAEISA-N -1 0 368.419 -0.038 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3cc(Cl)c(=O)[nH]n3)C[C@@H]2O)c1[O-] ZINC001043893834 662244027 /nfs/dbraw/zinc/24/40/27/662244027.db2.gz REDWEAKHHZCZBZ-SFYZADRCSA-N -1 0 354.754 -0.448 20 0 FBADRM COCCc1nsc(N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)n1 ZINC001043894119 662244112 /nfs/dbraw/zinc/24/41/12/662244112.db2.gz VEAYMKZBRIWSHU-BDAKNGLRSA-N -1 0 368.419 -0.556 20 0 FBADRM CCc1ncnc(N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)c1F ZINC001043894148 662244126 /nfs/dbraw/zinc/24/41/26/662244126.db2.gz VQNRGLIULRSDOU-ZJUUUORDSA-N -1 0 350.354 -0.105 20 0 FBADRM COc1ncc(Cl)c(N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)n1 ZINC001043894168 662244035 /nfs/dbraw/zinc/24/40/35/662244035.db2.gz WEUMFUHBIUHRAH-BDAKNGLRSA-N -1 0 368.781 -0.145 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(c3nc(C)nc(C)c3F)C[C@@H]2O)c1[O-] ZINC001043894240 662244031 /nfs/dbraw/zinc/24/40/31/662244031.db2.gz XAMZCXRMIBXGKX-ZJUUUORDSA-N -1 0 350.354 -0.051 20 0 FBADRM CC(C)c1nsc(N2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H](O)C2)n1 ZINC001044092690 662251232 /nfs/dbraw/zinc/25/12/32/662251232.db2.gz NAHJGWMGIQUZIO-SFYZADRCSA-N -1 0 369.407 -0.970 20 0 FBADRM CCC[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001044144519 662252107 /nfs/dbraw/zinc/25/21/07/662252107.db2.gz LOBFVKPLLQCVJH-RKDXNWHRSA-N -1 0 351.363 -0.978 20 0 FBADRM Cc1nsc(N2C[C@@H](NC(=O)c3c[n-]n4c3nccc4=O)[C@@H](O)C2)n1 ZINC001044611594 662263369 /nfs/dbraw/zinc/26/33/69/662263369.db2.gz YZEIRODROYHZLT-ZJUUUORDSA-N -1 0 361.387 -0.838 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001044618450 662264001 /nfs/dbraw/zinc/26/40/01/662264001.db2.gz XCKWVCYEIJEJEF-MNOVXSKESA-N -1 0 352.391 -0.458 20 0 FBADRM CCCc1nsc(N2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)n1 ZINC001044813435 662267427 /nfs/dbraw/zinc/26/74/27/662267427.db2.gz FTNMCDJOAJKFCO-RQJHMYQMSA-N -1 0 367.391 -0.934 20 0 FBADRM Cc1nc(Cl)cc(N2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)n1 ZINC001044813621 662267465 /nfs/dbraw/zinc/26/74/65/662267465.db2.gz JOFCPOMRNWYTHD-RQJHMYQMSA-N -1 0 367.753 -0.986 20 0 FBADRM CC(C)c1nsc(N2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)n1 ZINC001044814066 662267439 /nfs/dbraw/zinc/26/74/39/662267439.db2.gz WMLPODDYHVAURU-RQJHMYQMSA-N -1 0 367.391 -0.763 20 0 FBADRM Cc1nsc(N2CC[C@@H]3CCN(C(=O)Cn4c(=O)[n-][nH]c4=O)C[C@@H]32)n1 ZINC001045080728 662268552 /nfs/dbraw/zinc/26/85/52/662268552.db2.gz FSEBICQFXYMJGL-UWVGGRQHSA-N -1 0 365.419 -0.023 20 0 FBADRM C[C@H]1CC(=O)N[C@@H](C(=O)NC2(C)CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001045442746 662270183 /nfs/dbraw/zinc/27/01/83/662270183.db2.gz OKTYBIVMDRKKCF-GHMZBOCLSA-N -1 0 350.423 -0.104 20 0 FBADRM C[C@@H]1CN(C)C[C@H](C(=O)NC2(C)CCN(Cc3n[nH]c(=O)[n-]3)CC2)O1 ZINC001045479209 662270210 /nfs/dbraw/zinc/27/02/10/662270210.db2.gz XAYRFHPNBWSJMZ-VXGBXAGGSA-N -1 0 352.439 -0.300 20 0 FBADRM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001045555731 662270461 /nfs/dbraw/zinc/27/04/61/662270461.db2.gz ACEXECQJAQZDES-WDEREUQCSA-N -1 0 350.423 -0.295 20 0 FBADRM CC1(NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001045557905 662270401 /nfs/dbraw/zinc/27/04/01/662270401.db2.gz ZQZKDYRAGBPRQE-MNOVXSKESA-N -1 0 350.423 -0.117 20 0 FBADRM CC1(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001045558169 662270765 /nfs/dbraw/zinc/27/07/65/662270765.db2.gz FJOYQTXLARHVHF-VHSXEESVSA-N -1 0 352.395 -0.986 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001045796106 662272606 /nfs/dbraw/zinc/27/26/06/662272606.db2.gz JVKUFBVXOKYXHX-OPDFLTKYSA-N -1 0 351.407 -0.121 20 0 FBADRM CCC[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001046261307 662283203 /nfs/dbraw/zinc/28/32/03/662283203.db2.gz IMLHOJDTVBZEDX-RKDXNWHRSA-N -1 0 351.363 -0.978 20 0 FBADRM C[C@@]1(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046506925 662289049 /nfs/dbraw/zinc/28/90/49/662289049.db2.gz FCRJBMRYQJJBCM-GKSGUAPZSA-N -1 0 351.407 -0.358 20 0 FBADRM C[C@]1(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046506926 662288992 /nfs/dbraw/zinc/28/89/92/662288992.db2.gz FCRJBMRYQJJBCM-NLZNIHBBSA-N -1 0 351.407 -0.358 20 0 FBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCC1(F)F ZINC001046974290 662303457 /nfs/dbraw/zinc/30/34/57/662303457.db2.gz JGMNRGPUYGQXOX-HLTSFMKQSA-N -1 0 358.349 -0.795 20 0 FBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCC1(F)F ZINC001046974291 662303526 /nfs/dbraw/zinc/30/35/26/662303526.db2.gz JGMNRGPUYGQXOX-YIZRAAEISA-N -1 0 358.349 -0.795 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)c1[O-] ZINC001047035194 662306045 /nfs/dbraw/zinc/30/60/45/662306045.db2.gz VVQCPOSVVVVVHV-MXWKQRLJSA-N -1 0 350.375 -0.706 20 0 FBADRM CC(C)[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047384522 662311158 /nfs/dbraw/zinc/31/11/58/662311158.db2.gz WGOXPWZXKJMYAB-MNXVOIDGSA-N -1 0 353.423 -0.425 20 0 FBADRM CN(C(=O)[C@]12CCC[C@H]1OCC2)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047454476 662312900 /nfs/dbraw/zinc/31/29/00/662312900.db2.gz KKTAZZJIPOUJLZ-OVZMXSCWSA-N -1 0 351.407 -0.527 20 0 FBADRM CN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047461746 662312832 /nfs/dbraw/zinc/31/28/32/662312832.db2.gz GOZZAFGSVROUHO-CUOUOBHDSA-N -1 0 351.407 -0.671 20 0 FBADRM CN(C(=O)[C@@H]1CCO[C@H]1C1CC1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047464849 662312818 /nfs/dbraw/zinc/31/28/18/662312818.db2.gz LRPRMSBYDUDYBV-UHXUPSOCSA-N -1 0 351.407 -0.671 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1c1ncc(F)cn1 ZINC001048771863 662328216 /nfs/dbraw/zinc/32/82/16/662328216.db2.gz KFSBYGITBJCGSJ-VHSXEESVSA-N -1 0 351.342 -0.208 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1c1cnc(F)cn1 ZINC001048771866 662328111 /nfs/dbraw/zinc/32/81/11/662328111.db2.gz KJVQXWBIKXLBJV-DTWKUNHWSA-N -1 0 351.342 -0.208 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1c1cc(F)ncn1 ZINC001048772034 662328179 /nfs/dbraw/zinc/32/81/79/662328179.db2.gz NOYRKGIEEMXJEX-DTWKUNHWSA-N -1 0 351.342 -0.208 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1c1nccnc1F ZINC001048772139 662328170 /nfs/dbraw/zinc/32/81/70/662328170.db2.gz QSIUJKWLTNYZLK-DTWKUNHWSA-N -1 0 351.342 -0.208 20 0 FBADRM Cc1nsc(N2CC[C@@H]3CN(C(=O)Cn4c(=O)[n-][nH]c4=O)C[C@@H]3C2)n1 ZINC001049448521 662349837 /nfs/dbraw/zinc/34/98/37/662349837.db2.gz WBPDDWHMIBINLD-ZJUUUORDSA-N -1 0 365.419 -0.166 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC001049528731 662351724 /nfs/dbraw/zinc/35/17/24/662351724.db2.gz AGZJYYYTDZRGOK-FMSGJZPZSA-N -1 0 351.407 -0.121 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC001049528733 662351564 /nfs/dbraw/zinc/35/15/64/662351564.db2.gz AGZJYYYTDZRGOK-MNXVOIDGSA-N -1 0 351.407 -0.121 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC001049528735 662351671 /nfs/dbraw/zinc/35/16/71/662351671.db2.gz AGZJYYYTDZRGOK-OPDFLTKYSA-N -1 0 351.407 -0.121 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC001049528737 662351642 /nfs/dbraw/zinc/35/16/42/662351642.db2.gz AGZJYYYTDZRGOK-SFTQSGBHSA-N -1 0 351.407 -0.121 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001050068854 662402430 /nfs/dbraw/zinc/40/24/30/662402430.db2.gz LXESXSDDXNLJOE-FMSGJZPZSA-N -1 0 351.407 -0.263 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1c1ncncc1Cl ZINC001050502260 662405406 /nfs/dbraw/zinc/40/54/06/662405406.db2.gz DIGUTKHHGDPVAJ-APPZFPTMSA-N -1 0 353.770 -0.084 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1c1cncc(Cl)n1 ZINC001050502290 662405399 /nfs/dbraw/zinc/40/53/99/662405399.db2.gz FKIWWALWVVLFSL-SFYZADRCSA-N -1 0 353.770 -0.084 20 0 FBADRM CCc1nsc(N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C)n1 ZINC001050502457 662405370 /nfs/dbraw/zinc/40/53/70/662405370.db2.gz ICRMXPFXMVWJKH-SFYZADRCSA-N -1 0 353.408 -0.113 20 0 FBADRM CSc1ccnc(N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C)n1 ZINC001050502532 662405264 /nfs/dbraw/zinc/40/52/64/662405264.db2.gz LBKWIRXHQZVNBN-BDAKNGLRSA-N -1 0 365.419 -0.015 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1c1ncc(Cl)cn1 ZINC001050502732 662405275 /nfs/dbraw/zinc/40/52/75/662405275.db2.gz NUBDJBIEBQQROB-APPZFPTMSA-N -1 0 353.770 -0.084 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1c1cc(Cl)c(=O)[nH]n1 ZINC001050502851 662405386 /nfs/dbraw/zinc/40/53/86/662405386.db2.gz QXALDYSTUFJKPS-SVRRBLITSA-N -1 0 369.769 -0.378 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001050549288 662405635 /nfs/dbraw/zinc/40/56/35/662405635.db2.gz KVJPHGHKOHKCPD-AAEUAGOBSA-N -1 0 351.407 -0.261 20 0 FBADRM CC(C)[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001050922294 662410982 /nfs/dbraw/zinc/41/09/82/662410982.db2.gz RHMUNZNFWPOHNB-DYEKYZERSA-N -1 0 353.423 -0.112 20 0 FBADRM CC(C)[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001050922295 662410871 /nfs/dbraw/zinc/41/08/71/662410871.db2.gz RHMUNZNFWPOHNB-OBJOEFQTSA-N -1 0 353.423 -0.112 20 0 FBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)[C@]12CCC[C@H]1OCC2 ZINC001051022881 662413016 /nfs/dbraw/zinc/41/30/16/662413016.db2.gz NJMSTXWBRAELMQ-HSMVNMDESA-N -1 0 351.407 -0.214 20 0 FBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)[C@]12CCC[C@H]1OCC2 ZINC001051022882 662413001 /nfs/dbraw/zinc/41/30/01/662413001.db2.gz NJMSTXWBRAELMQ-OZVIIMIRSA-N -1 0 351.407 -0.214 20 0 FBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001051032510 662413013 /nfs/dbraw/zinc/41/30/13/662413013.db2.gz XZEMYJJPACOQJH-KZVDOYCCSA-N -1 0 351.407 -0.358 20 0 FBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001051032511 662413258 /nfs/dbraw/zinc/41/32/58/662413258.db2.gz XZEMYJJPACOQJH-ZJQBRPOHSA-N -1 0 351.407 -0.358 20 0 FBADRM O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1CCO[C@H]1C1CC1 ZINC001051036775 662413267 /nfs/dbraw/zinc/41/32/67/662413267.db2.gz OCKZINONIUHDTR-BZPMIXESSA-N -1 0 351.407 -0.358 20 0 FBADRM O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1CCO[C@H]1C1CC1 ZINC001051036776 662413216 /nfs/dbraw/zinc/41/32/16/662413216.db2.gz OCKZINONIUHDTR-SCRDCRAPSA-N -1 0 351.407 -0.358 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1c1cc(Cl)c(=O)[nH]n1 ZINC001051265994 662415064 /nfs/dbraw/zinc/41/50/64/662415064.db2.gz HBCMLWZHKOMELL-VDTYLAMSSA-N -1 0 367.753 -0.171 20 0 FBADRM C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001052387692 662424915 /nfs/dbraw/zinc/42/49/15/662424915.db2.gz QBFZIHONVBHBHU-GRYCIOLGSA-N -1 0 350.423 -0.104 20 0 FBADRM C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001052387693 662424791 /nfs/dbraw/zinc/42/47/91/662424791.db2.gz QBFZIHONVBHBHU-IJLUTSLNSA-N -1 0 350.423 -0.104 20 0 FBADRM Cc1nsc(N2C[C@@H]3CN(C(=O)Cn4c(=O)[n-][nH]c4=O)C[C@]3(C)C2)n1 ZINC001052406460 662424816 /nfs/dbraw/zinc/42/48/16/662424816.db2.gz WDUKSWBHZNXFSA-LKFCYVNXSA-N -1 0 365.419 -0.166 20 0 FBADRM C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)O1 ZINC001052490462 662425002 /nfs/dbraw/zinc/42/50/02/662425002.db2.gz UDHUGYDKZJAEHS-FRRDWIJNSA-N -1 0 352.439 -0.300 20 0 FBADRM C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)O1 ZINC001052490463 662425223 /nfs/dbraw/zinc/42/52/23/662425223.db2.gz UDHUGYDKZJAEHS-JHJVBQTASA-N -1 0 352.439 -0.300 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)O1 ZINC001052707555 662365771 /nfs/dbraw/zinc/36/57/71/662365771.db2.gz HHAXZAIJAMSBKO-GARJFASQSA-N -1 0 352.395 -0.986 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)O1 ZINC001052707556 662365674 /nfs/dbraw/zinc/36/56/74/662365674.db2.gz HHAXZAIJAMSBKO-OUAUKWLOSA-N -1 0 352.395 -0.986 20 0 FBADRM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052718640 662365911 /nfs/dbraw/zinc/36/59/11/662365911.db2.gz FGRXXASZDKTUNU-GRYCIOLGSA-N -1 0 350.423 -0.295 20 0 FBADRM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052718641 662366070 /nfs/dbraw/zinc/36/60/70/662366070.db2.gz FGRXXASZDKTUNU-SDDRHHMPSA-N -1 0 350.423 -0.295 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001052719113 662365985 /nfs/dbraw/zinc/36/59/85/662365985.db2.gz MIYZOTSIKPPHBV-GRYCIOLGSA-N -1 0 350.423 -0.117 20 0 FBADRM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001052719114 662365967 /nfs/dbraw/zinc/36/59/67/662365967.db2.gz MIYZOTSIKPPHBV-WOPDTQHZSA-N -1 0 350.423 -0.117 20 0 FBADRM Cc1nsc(N2C[C@@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)[C@H](C)C2)n1 ZINC001053245516 662366881 /nfs/dbraw/zinc/36/68/81/662366881.db2.gz LQUSTXLAUCOAJA-HTRCEHHLSA-N -1 0 351.392 -0.055 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053292204 662367248 /nfs/dbraw/zinc/36/72/48/662367248.db2.gz VFNVPFFMCUHXKB-YPMHNXCESA-N -1 0 351.407 -0.261 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053351550 662367534 /nfs/dbraw/zinc/36/75/34/662367534.db2.gz CIMHUCLYNZDXMF-NEPJUHHUSA-N -1 0 351.407 -0.261 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC3(CN(Cc4n[nH]c(=O)[n-]4)C3)O2)O1 ZINC001053664388 662369166 /nfs/dbraw/zinc/36/91/66/662369166.db2.gz SNXULRGMTUDUHK-GRYCIOLGSA-N -1 0 351.407 -0.073 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCC3(CN(Cc4n[nH]c(=O)[n-]4)C3)O2)O1 ZINC001053664389 662369032 /nfs/dbraw/zinc/36/90/32/662369032.db2.gz SNXULRGMTUDUHK-IJLUTSLNSA-N -1 0 351.407 -0.073 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)O1 ZINC001053664847 662369116 /nfs/dbraw/zinc/36/91/16/662369116.db2.gz GYKSABOYPWCLMZ-MDZLAQPJSA-N -1 0 351.407 -0.215 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)O1 ZINC001053664848 662368982 /nfs/dbraw/zinc/36/89/82/662368982.db2.gz GYKSABOYPWCLMZ-WZRBSPASSA-N -1 0 351.407 -0.215 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053836619 662369700 /nfs/dbraw/zinc/36/97/00/662369700.db2.gz OEPAKHMQXWJEFO-MDZLAQPJSA-N -1 0 351.407 -0.215 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053836621 662369706 /nfs/dbraw/zinc/36/97/06/662369706.db2.gz OEPAKHMQXWJEFO-WZRBSPASSA-N -1 0 351.407 -0.215 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053878788 662369968 /nfs/dbraw/zinc/36/99/68/662369968.db2.gz UCEPKIOESYTFJA-TUAOUCFPSA-N -1 0 351.407 -0.215 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053878789 662369938 /nfs/dbraw/zinc/36/99/38/662369938.db2.gz UCEPKIOESYTFJA-UTUOFQBUSA-N -1 0 351.407 -0.215 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNc1cc(F)ncn1 ZINC001054420486 662370997 /nfs/dbraw/zinc/37/09/97/662370997.db2.gz CYIPINNLIXGWPA-RKDXNWHRSA-N -1 0 351.342 -0.175 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNc1nccnc1F ZINC001054422154 662370895 /nfs/dbraw/zinc/37/08/95/662370895.db2.gz PHJYPJBFJYWCFD-RKDXNWHRSA-N -1 0 351.342 -0.175 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNc1cnc(F)cn1 ZINC001054422192 662370970 /nfs/dbraw/zinc/37/09/70/662370970.db2.gz PPVOXGCYKBSIQY-RKDXNWHRSA-N -1 0 351.342 -0.175 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNc1ncc(F)cn1 ZINC001054422756 662370927 /nfs/dbraw/zinc/37/09/27/662370927.db2.gz QOCKGRSCNOKWEQ-RKDXNWHRSA-N -1 0 351.342 -0.175 20 0 FBADRM Cc1nsc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C3)n1 ZINC001055075186 662374303 /nfs/dbraw/zinc/37/43/03/662374303.db2.gz RBSVVUIPXGMIPA-VGMNWLOBSA-N -1 0 351.392 -0.225 20 0 FBADRM Cc1nsc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C3)n1 ZINC001055370052 662375816 /nfs/dbraw/zinc/37/58/16/662375816.db2.gz RBSVVUIPXGMIPA-HLTSFMKQSA-N -1 0 351.392 -0.225 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-] ZINC001057353745 662404019 /nfs/dbraw/zinc/40/40/19/662404019.db2.gz DTQKSCRKVVFIBI-RISCZKNCSA-N -1 0 354.407 -0.210 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-] ZINC001057357394 662404050 /nfs/dbraw/zinc/40/40/50/662404050.db2.gz ORLWJSNOQBHWDO-NEPJUHHUSA-N -1 0 354.407 -0.210 20 0 FBADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1[O-] ZINC001057357801 662404020 /nfs/dbraw/zinc/40/40/20/662404020.db2.gz UEPYWUILZVVDHN-UTUOFQBUSA-N -1 0 352.391 -0.458 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N(CCO)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001057967856 662432426 /nfs/dbraw/zinc/43/24/26/662432426.db2.gz QUIRFJJTQKUNCE-RISCZKNCSA-N -1 0 354.407 -0.210 20 0 FBADRM O=C(NCCN(CCO)C(=O)c1n[nH]c(=O)[n-]c1=O)[C@]12C[C@H]1CCC2 ZINC001058201800 662438162 /nfs/dbraw/zinc/43/81/62/662438162.db2.gz FDYRDIUKYFGORN-RFAUZJTJSA-N -1 0 351.363 -0.976 20 0 FBADRM CCC[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001058203782 662438153 /nfs/dbraw/zinc/43/81/53/662438153.db2.gz WNOYOBBSUXUINW-NXEZZACHSA-N -1 0 353.379 -0.730 20 0 FBADRM CCC[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001058263327 662439771 /nfs/dbraw/zinc/43/97/71/662439771.db2.gz FWDCUWJLVVFJQV-GHMZBOCLSA-N -1 0 355.395 -0.937 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1cnc([O-])n(C)c1=O ZINC001058279639 662440102 /nfs/dbraw/zinc/44/01/02/662440102.db2.gz FSGVQFLULWNLDB-GHMZBOCLSA-N -1 0 352.391 -0.917 20 0 FBADRM O=C(NCCN(CCO)C(=O)[C@]12C[C@H]1CCC2)c1n[nH]c(=O)[n-]c1=O ZINC001058335344 662440803 /nfs/dbraw/zinc/44/08/03/662440803.db2.gz OLAIIANAHVWRBM-RFAUZJTJSA-N -1 0 351.363 -0.976 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001058338674 662441079 /nfs/dbraw/zinc/44/10/79/662441079.db2.gz WIBGTVNYTSOYKY-NEPJUHHUSA-N -1 0 354.407 -0.210 20 0 FBADRM CCC[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001058761877 679528414 /nfs/dbraw/zinc/52/84/14/679528414.db2.gz RGQDLACLGMVWTM-NXEZZACHSA-N -1 0 353.379 -0.730 20 0 FBADRM CCC[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001058765406 679528824 /nfs/dbraw/zinc/52/88/24/679528824.db2.gz UAXIYZXECZJQLL-GHMZBOCLSA-N -1 0 355.395 -0.937 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)c1cnc([O-])n(C)c1=O ZINC001058912655 679542564 /nfs/dbraw/zinc/54/25/64/679542564.db2.gz VMLOLAJXAOBCFH-GHMZBOCLSA-N -1 0 352.391 -0.917 20 0 FBADRM Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1[O-] ZINC001058917699 679544146 /nfs/dbraw/zinc/54/41/46/679544146.db2.gz IHISZZRBYHCRMC-UTUOFQBUSA-N -1 0 352.391 -0.458 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)N1CCOC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001061744006 837738457 /nfs/dbraw/zinc/73/84/57/837738457.db2.gz AVOLGVMIAOOIMJ-GMTAPVOTSA-N -1 0 353.379 -0.921 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)N1CCOC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001061744008 837738444 /nfs/dbraw/zinc/73/84/44/837738444.db2.gz AVOLGVMIAOOIMJ-OUAUKWLOSA-N -1 0 353.379 -0.921 20 0 FBADRM Cc1n[nH]c(C(=O)NCC2(NC(=O)[C@H]3OCCO[C@H]3C)CCC2)c1[O-] ZINC001062807794 837806575 /nfs/dbraw/zinc/80/65/75/837806575.db2.gz TUMCNCCKXXWWGK-GWCFXTLKSA-N -1 0 352.391 -0.004 20 0 FBADRM Cc1n[nH]c(C(=O)NC2(CNC(=O)[C@H]3OCCO[C@H]3C)CCC2)c1[O-] ZINC001063481591 837818883 /nfs/dbraw/zinc/81/88/83/837818883.db2.gz SYSXWHRHXDQLJU-GWCFXTLKSA-N -1 0 352.391 -0.004 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC2(CNC(=O)c3n[nH]c(=O)[n-]c3=O)CCC2)O1 ZINC001063791451 837826401 /nfs/dbraw/zinc/82/64/01/837826401.db2.gz COIDLQWIGDWBKL-RKDXNWHRSA-N -1 0 351.363 -0.381 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CCC1 ZINC001063792512 837826884 /nfs/dbraw/zinc/82/68/84/837826884.db2.gz WSQGHNQKCYJXCN-SCZZXKLOSA-N -1 0 351.363 -0.524 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NC2(CNC(=O)Cn3c(=O)[n-][nH]c3=O)CCC2)O1 ZINC001063866275 837828169 /nfs/dbraw/zinc/82/81/69/837828169.db2.gz ZKCHMKPBAMPDHG-NXEZZACHSA-N -1 0 353.379 -0.588 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001063866281 837827848 /nfs/dbraw/zinc/82/78/48/837827848.db2.gz ZVGHDNIMTSDDHF-KOLCDFICSA-N -1 0 353.379 -0.731 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NCC1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCC1 ZINC001064575791 837839549 /nfs/dbraw/zinc/83/95/49/837839549.db2.gz KDAHSZPUXTYMFT-KOLCDFICSA-N -1 0 353.379 -0.731 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)NCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCC1 ZINC001064575840 837839595 /nfs/dbraw/zinc/83/95/95/837839595.db2.gz LSYMWNFTUKZYBN-SCZZXKLOSA-N -1 0 351.363 -0.524 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NCC2(NC(=O)Cn3c(=O)[n-][nH]c3=O)CCC2)O1 ZINC001064641121 837841614 /nfs/dbraw/zinc/84/16/14/837841614.db2.gz DHZRJKBNZWKNGX-NXEZZACHSA-N -1 0 353.379 -0.588 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)NCC2(NC(=O)c3n[nH]c(=O)[n-]c3=O)CCC2)O1 ZINC001064641132 837841670 /nfs/dbraw/zinc/84/16/70/837841670.db2.gz DQWRQFZJONLGPJ-RKDXNWHRSA-N -1 0 351.363 -0.381 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)N1CCO[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001065650345 839167286 /nfs/dbraw/zinc/16/72/86/839167286.db2.gz VLQWEOPKSZPTHV-GMTAPVOTSA-N -1 0 353.379 -0.921 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001065650346 839167189 /nfs/dbraw/zinc/16/71/89/839167189.db2.gz VLQWEOPKSZPTHV-OUAUKWLOSA-N -1 0 353.379 -0.921 20 0 FBADRM CN(CCCN(C)C(=O)[C@]12C[C@H]1COC2)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001067593718 842165679 /nfs/dbraw/zinc/16/56/79/842165679.db2.gz COJRZUBQOHFLCP-BONVTDFDSA-N -1 0 353.379 -0.967 20 0 FBADRM CN(CCCN(C)C(=O)[C@]12C[C@H]1COC2)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001067593975 679515993 /nfs/dbraw/zinc/51/59/93/679515993.db2.gz KQIRIGDGIMHDSF-VFZGTOFNSA-N -1 0 351.363 -0.760 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N(C)CCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001067854326 842169024 /nfs/dbraw/zinc/16/90/24/842169024.db2.gz ARUNKXRTXIHZIV-KOLCDFICSA-N -1 0 353.379 -0.372 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N(C)CCCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)O1 ZINC001067854477 842168864 /nfs/dbraw/zinc/16/88/64/842168864.db2.gz LHISYSCBCAIBPS-NXEZZACHSA-N -1 0 353.379 -0.229 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)N(C)CCCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)O1 ZINC001067881653 842168971 /nfs/dbraw/zinc/16/89/71/842168971.db2.gz OUEUVKDETNWKMP-GHMZBOCLSA-N -1 0 355.395 -0.436 20 0 FBADRM C[C@@H]1CCO[C@@H]1C(=O)N(C)CCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001067881810 842169274 /nfs/dbraw/zinc/16/92/74/842169274.db2.gz YVFAPKYNWDAPFP-PWSUYJOCSA-N -1 0 355.395 -0.579 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1)c1cncs1 ZINC001069901025 842199162 /nfs/dbraw/zinc/19/91/62/842199162.db2.gz JQFKNQSUESXVKC-BDAKNGLRSA-N -1 0 361.391 -0.586 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1)c1cscn1 ZINC001069903429 842200609 /nfs/dbraw/zinc/20/06/09/842200609.db2.gz WWTRNKROEFOFIK-SCZZXKLOSA-N -1 0 361.391 -0.586 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1)[C@H]1CC1(F)F ZINC001069922391 842205775 /nfs/dbraw/zinc/20/57/75/842205775.db2.gz ATAOOJLPROKNRN-HLTSFMKQSA-N -1 0 354.321 -0.701 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1)[C@@H]1CC1(F)F ZINC001069922392 842205384 /nfs/dbraw/zinc/20/53/84/842205384.db2.gz ATAOOJLPROKNRN-YIZRAAEISA-N -1 0 354.321 -0.701 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1)c1ccns1 ZINC001069941007 842209350 /nfs/dbraw/zinc/20/93/50/842209350.db2.gz SEMKSRGQBGLTAM-BDAKNGLRSA-N -1 0 361.391 -0.586 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1)c1ccsn1 ZINC001069955756 842213236 /nfs/dbraw/zinc/21/32/36/842213236.db2.gz LWDZRBVXKHEATA-ZJUUUORDSA-N -1 0 361.391 -0.586 20 0 FBADRM O=C(N[C@@H]1CN(C/C=C\Cl)C[C@@H]1n1ccnn1)c1n[nH]c(=O)[n-]c1=O ZINC001069970578 842216532 /nfs/dbraw/zinc/21/65/32/842216532.db2.gz NFQUBNPIYXUNJQ-ABKJGRNXSA-N -1 0 366.769 -0.718 20 0 FBADRM O=C(N[C@@H]1CN(C/C=C/Cl)C[C@@H]1n1ccnn1)c1n[nH]c(=O)[n-]c1=O ZINC001069970579 842217138 /nfs/dbraw/zinc/21/71/38/842217138.db2.gz NFQUBNPIYXUNJQ-NFXAZMQOSA-N -1 0 366.769 -0.718 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1)c1nccs1 ZINC001070061740 842233406 /nfs/dbraw/zinc/23/34/06/842233406.db2.gz VQWFCHDCDIBZLN-BDAKNGLRSA-N -1 0 361.391 -0.586 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(C/C=C/Cl)C[C@@H]1n1ccnn1 ZINC001070084824 842237334 /nfs/dbraw/zinc/23/73/34/842237334.db2.gz YFZKNKOGRJHYMF-HXNLBGINSA-N -1 0 368.785 -0.925 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(C/C=C\Cl)C[C@@H]1n1ccnn1 ZINC001070084825 842237265 /nfs/dbraw/zinc/23/72/65/842237265.db2.gz YFZKNKOGRJHYMF-SZXTZRQCSA-N -1 0 368.785 -0.925 20 0 FBADRM CS[C@@H](C)C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070145322 842249870 /nfs/dbraw/zinc/24/98/70/842249870.db2.gz XAKYNSNWSZIHJH-AEJSXWLSSA-N -1 0 352.424 -0.605 20 0 FBADRM CS[C@H](C)C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070145323 842250008 /nfs/dbraw/zinc/25/00/08/842250008.db2.gz XAKYNSNWSZIHJH-BBBLOLIVSA-N -1 0 352.424 -0.605 20 0 FBADRM O=C(c1cncs1)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070152411 842252649 /nfs/dbraw/zinc/25/26/49/842252649.db2.gz VBADGGYIJYIEKA-BDAKNGLRSA-N -1 0 361.391 -0.586 20 0 FBADRM O=C(CC(F)(F)F)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070153196 842253455 /nfs/dbraw/zinc/25/34/55/842253455.db2.gz KMPJGKGTXDIGMQ-SFYZADRCSA-N -1 0 360.300 -0.404 20 0 FBADRM O=C(c1cscn1)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070155753 842255762 /nfs/dbraw/zinc/25/57/62/842255762.db2.gz AJUXRXVJUYBYMU-SCZZXKLOSA-N -1 0 361.391 -0.586 20 0 FBADRM CC[C@@H](OC)C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070156196 842255137 /nfs/dbraw/zinc/25/51/37/842255137.db2.gz VBRUFBFISYHNRT-OUAUKWLOSA-N -1 0 350.383 -0.932 20 0 FBADRM CC[C@H](OC)C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070156197 842255505 /nfs/dbraw/zinc/25/55/05/842255505.db2.gz VBRUFBFISYHNRT-VWYCJHECSA-N -1 0 350.383 -0.932 20 0 FBADRM CC(C)=C(F)C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070175680 842258471 /nfs/dbraw/zinc/25/84/71/842258471.db2.gz SAFLKOOHRCAYPH-ZJUUUORDSA-N -1 0 350.358 -0.093 20 0 FBADRM CC[C@@H](SC)C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070178953 842258446 /nfs/dbraw/zinc/25/84/46/842258446.db2.gz RBLXOQWFYKGVLA-OUAUKWLOSA-N -1 0 366.451 -0.215 20 0 FBADRM CC[C@H](SC)C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070178954 842257947 /nfs/dbraw/zinc/25/79/47/842257947.db2.gz RBLXOQWFYKGVLA-VWYCJHECSA-N -1 0 366.451 -0.215 20 0 FBADRM O=C([C@H]1CC1(F)F)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070190811 842260948 /nfs/dbraw/zinc/26/09/48/842260948.db2.gz NOCZVDJKGVRAFB-HLTSFMKQSA-N -1 0 354.321 -0.701 20 0 FBADRM O=C([C@@H]1CC1(F)F)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070190812 842261187 /nfs/dbraw/zinc/26/11/87/842261187.db2.gz NOCZVDJKGVRAFB-YIZRAAEISA-N -1 0 354.321 -0.701 20 0 FBADRM O=C(c1ccns1)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070204719 842262883 /nfs/dbraw/zinc/26/28/83/842262883.db2.gz NKOONSMMWSJUDO-BDAKNGLRSA-N -1 0 361.391 -0.586 20 0 FBADRM O=C(c1ccsn1)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070215415 842265117 /nfs/dbraw/zinc/26/51/17/842265117.db2.gz WQMKISPGWDFEIX-ZJUUUORDSA-N -1 0 361.391 -0.586 20 0 FBADRM CC(C)[C@@H](F)C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070255324 842272867 /nfs/dbraw/zinc/27/28/67/842272867.db2.gz WCLYUHKYZJBECN-JFGNBEQYSA-N -1 0 352.374 -0.362 20 0 FBADRM CC(C)[C@H](F)C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070255325 842272044 /nfs/dbraw/zinc/27/20/44/842272044.db2.gz WCLYUHKYZJBECN-SCVCMEIPSA-N -1 0 352.374 -0.362 20 0 FBADRM CC(F)(F)CC(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070268513 842276947 /nfs/dbraw/zinc/27/69/47/842276947.db2.gz JTNGLGJLOQAZMF-BDAKNGLRSA-N -1 0 356.337 -0.311 20 0 FBADRM O=C(N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1)C1(CF)CC1 ZINC001070271275 842278034 /nfs/dbraw/zinc/27/80/34/842278034.db2.gz JHKLVJXCKRMXFE-ZJUUUORDSA-N -1 0 350.358 -0.607 20 0 FBADRM O=C(c1nccs1)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070300948 842282151 /nfs/dbraw/zinc/28/21/51/842282151.db2.gz AYVPCZWQJCDDOV-BDAKNGLRSA-N -1 0 361.391 -0.586 20 0 FBADRM CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001070361065 842290234 /nfs/dbraw/zinc/29/02/34/842290234.db2.gz FXWSKBAQXPJCSZ-ABAIWWIYSA-N -1 0 350.423 -0.104 20 0 FBADRM CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)C1 ZINC001070898861 842314287 /nfs/dbraw/zinc/31/42/87/842314287.db2.gz FAQKQXNBCRHPAU-AXFHLTTASA-N -1 0 350.379 -0.474 20 0 FBADRM CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)C1 ZINC001070898862 842314527 /nfs/dbraw/zinc/31/45/27/842314527.db2.gz FAQKQXNBCRHPAU-MXWKQRLJSA-N -1 0 350.379 -0.474 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)N1CCC(=O)NCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001071001531 842326236 /nfs/dbraw/zinc/32/62/36/842326236.db2.gz CYJZHSZVSPRTDC-VXGBXAGGSA-N -1 0 350.423 -0.293 20 0 FBADRM C[C@@H]1CN(C)C[C@H](C(=O)N2CC3(C2)CCN(Cc2n[nH]c(=O)[n-]2)C3)O1 ZINC001072850862 842338795 /nfs/dbraw/zinc/33/87/95/842338795.db2.gz BHVZHBKMYOKYEA-VXGBXAGGSA-N -1 0 350.423 -0.736 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001073642433 842350031 /nfs/dbraw/zinc/35/00/31/842350031.db2.gz NEHNAGYKDDURKF-GVXVVHGQSA-N -1 0 355.395 -0.979 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1 ZINC001073642435 842349915 /nfs/dbraw/zinc/34/99/15/842349915.db2.gz NEHNAGYKDDURKF-LOWVWBTDSA-N -1 0 355.395 -0.979 20 0 FBADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001073785541 842355329 /nfs/dbraw/zinc/35/53/29/842355329.db2.gz OASFBUFWFXIYQB-LPWJVIDDSA-N -1 0 351.407 -0.215 20 0 FBADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001073785542 842354900 /nfs/dbraw/zinc/35/49/00/842354900.db2.gz OASFBUFWFXIYQB-XQHKEYJVSA-N -1 0 351.407 -0.215 20 0 FBADRM O=C([C@H]1CCCCS1(=O)=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075873546 679580941 /nfs/dbraw/zinc/58/09/41/679580941.db2.gz ZUUKEZICFOATKS-QJPTWQEYSA-N -1 0 369.447 -0.490 20 0 FBADRM O=C([C@@H]1CCCCS1(=O)=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075873547 679580948 /nfs/dbraw/zinc/58/09/48/679580948.db2.gz ZUUKEZICFOATKS-TUAOUCFPSA-N -1 0 369.447 -0.490 20 0 FBADRM C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)O1 ZINC001075943493 679595776 /nfs/dbraw/zinc/59/57/76/679595776.db2.gz SVMLEPVMXIPSOB-YVECIDJPSA-N -1 0 350.423 -0.738 20 0 FBADRM Cc1nnc(CN2C[C@@H]3CCN(C(=O)c4n[nH]c(=O)[n-]c4=O)[C@@H]3C2)s1 ZINC001075993342 679601946 /nfs/dbraw/zinc/60/19/46/679601946.db2.gz PFYBVPPXJPQDCC-DTWKUNHWSA-N -1 0 363.403 -0.211 20 0 FBADRM Cc1nnsc1CN1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001075993531 679601968 /nfs/dbraw/zinc/60/19/68/679601968.db2.gz ZOHTUWVSHHQKHE-DTWKUNHWSA-N -1 0 363.403 -0.211 20 0 FBADRM O=C(C[C@H]1CCS(=O)(=O)C1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076007646 679618595 /nfs/dbraw/zinc/61/85/95/679618595.db2.gz IZYQDSOWVKYYPB-GRYCIOLGSA-N -1 0 369.447 -0.632 20 0 FBADRM O=C(C[C@@H]1CCS(=O)(=O)C1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076007647 679618444 /nfs/dbraw/zinc/61/84/44/679618444.db2.gz IZYQDSOWVKYYPB-SDDRHHMPSA-N -1 0 369.447 -0.632 20 0 FBADRM O=C(C[C@H]1CCCS1(=O)=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076089787 679623840 /nfs/dbraw/zinc/62/38/40/679623840.db2.gz RXXBJFGCWHFJBL-QJPTWQEYSA-N -1 0 369.447 -0.490 20 0 FBADRM O=C(C[C@@H]1CCCS1(=O)=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076089788 679623823 /nfs/dbraw/zinc/62/38/23/679623823.db2.gz RXXBJFGCWHFJBL-SDDRHHMPSA-N -1 0 369.447 -0.490 20 0 FBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)[C@H]2CN(C)C[C@@H](C)O2)c1[O-] ZINC001076166129 679625540 /nfs/dbraw/zinc/62/55/40/679625540.db2.gz AXKVUCUXBWRHGH-HOSYDEDBSA-N -1 0 353.423 -0.233 20 0 FBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)c1[O-] ZINC001076167620 679625728 /nfs/dbraw/zinc/62/57/28/679625728.db2.gz HMCCTAVJRKIGTQ-INTQDDNPSA-N -1 0 351.407 -0.227 20 0 FBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)c1[O-] ZINC001076167866 679625733 /nfs/dbraw/zinc/62/57/33/679625733.db2.gz QZPLCKYKEAVONU-GDPRMGEGSA-N -1 0 351.407 -0.050 20 0 FBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)c1[O-] ZINC001076167915 679625575 /nfs/dbraw/zinc/62/55/75/679625575.db2.gz SPJQZTFHACLQOR-WCABBAIRSA-N -1 0 351.407 -0.037 20 0 FBADRM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1[O-] ZINC001076168023 679625545 /nfs/dbraw/zinc/62/55/45/679625545.db2.gz XFXMLWSCHOOECJ-UJNFCWOMSA-N -1 0 353.379 -0.919 20 0 FBADRM O=C([C@@H]1CCCS(=O)(=O)C1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076311941 679628599 /nfs/dbraw/zinc/62/85/99/679628599.db2.gz JAFUKJQKAOEMDB-QJPTWQEYSA-N -1 0 369.447 -0.632 20 0 FBADRM O=C([C@H]1CCCS(=O)(=O)C1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076311942 679628531 /nfs/dbraw/zinc/62/85/31/679628531.db2.gz JAFUKJQKAOEMDB-SDDRHHMPSA-N -1 0 369.447 -0.632 20 0 FBADRM O=C(COC1CCOCC1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076312845 679628628 /nfs/dbraw/zinc/62/86/28/679628628.db2.gz CBLOSYWIQKFVHY-WCQYABFASA-N -1 0 351.407 -0.261 20 0 FBADRM O=C(C1CCS(=O)(=O)CC1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076315330 679628037 /nfs/dbraw/zinc/62/80/37/679628037.db2.gz DXKFNZRTEQDAHX-NWDGAFQWSA-N -1 0 369.447 -0.632 20 0 FBADRM O=C(CCN1CCOCC1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076365964 679630159 /nfs/dbraw/zinc/63/01/59/679630159.db2.gz WOBVXZXETBETBI-QWHCGFSZSA-N -1 0 350.423 -0.735 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CN(Cc3nccs3)C[C@H]21 ZINC001076499262 836549921 /nfs/dbraw/zinc/54/99/21/836549921.db2.gz FPUBREVILAKOCX-VHSXEESVSA-N -1 0 350.404 -0.121 20 0 FBADRM C[C@@H](c1csnn1)N1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001076499281 836550395 /nfs/dbraw/zinc/55/03/95/836550395.db2.gz GMNLKGBQQAFWHE-ATZCPNFKSA-N -1 0 365.419 -0.165 20 0 FBADRM C[C@H](c1csnn1)N1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001076499282 836550419 /nfs/dbraw/zinc/55/04/19/836550419.db2.gz GMNLKGBQQAFWHE-WCABBAIRSA-N -1 0 365.419 -0.165 20 0 FBADRM Cc1nnc(CN2C[C@@H]3CCN(C(=O)Cn4c(=O)[n-][nH]c4=O)[C@@H]3C2)s1 ZINC001076499905 836549969 /nfs/dbraw/zinc/54/99/69/836549969.db2.gz RIWVAYIWIOWXRL-VHSXEESVSA-N -1 0 365.419 -0.418 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CN(Cc3cnsn3)C[C@H]21 ZINC001076499913 836550477 /nfs/dbraw/zinc/55/04/77/836550477.db2.gz RVVGYHPQQOZXDD-WCBMZHEXSA-N -1 0 351.392 -0.726 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CN(Cc3csnn3)C[C@H]21 ZINC001076499918 836550226 /nfs/dbraw/zinc/55/02/26/836550226.db2.gz SCFDVOIWNWENFV-WCBMZHEXSA-N -1 0 351.392 -0.726 20 0 FBADRM Cc1nnsc1CN1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001076499942 836550518 /nfs/dbraw/zinc/55/05/18/836550518.db2.gz UCFSDNGGYMYHSW-VHSXEESVSA-N -1 0 365.419 -0.418 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CN(Cc3cscn3)C[C@H]21 ZINC001076500549 836550005 /nfs/dbraw/zinc/55/00/05/836550005.db2.gz DCHYPSYMWLXATN-GXSJLCMTSA-N -1 0 350.404 -0.121 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CN(Cc3cncs3)C[C@H]21 ZINC001076500658 836550541 /nfs/dbraw/zinc/55/05/41/836550541.db2.gz JUIUBKKJLGDFHK-GXSJLCMTSA-N -1 0 350.404 -0.121 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CN(Cc3ccns3)C[C@H]21 ZINC001076500727 836549952 /nfs/dbraw/zinc/54/99/52/836549952.db2.gz MZJKIFNZYOMLMW-GXSJLCMTSA-N -1 0 350.404 -0.121 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CN(Cc3cnns3)C[C@H]21 ZINC001076500853 836550218 /nfs/dbraw/zinc/55/02/18/836550218.db2.gz UGLHEAWTJBIOAU-WCBMZHEXSA-N -1 0 351.392 -0.726 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CN(Cc3nncs3)C[C@H]21 ZINC001076501137 836550118 /nfs/dbraw/zinc/55/01/18/836550118.db2.gz XXUQYIVDHFKXQT-DTWKUNHWSA-N -1 0 351.392 -0.726 20 0 FBADRM Cc1csc(=O)n1CC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076561867 836555168 /nfs/dbraw/zinc/55/51/68/836555168.db2.gz ZNVIGQYFOSQNDT-WDEREUQCSA-N -1 0 364.431 -0.225 20 0 FBADRM O=C([C@@H]1CCCS1(=O)=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076593363 836558942 /nfs/dbraw/zinc/55/89/42/836558942.db2.gz MVFKLSNWZRDYQF-AXFHLTTASA-N -1 0 355.420 -0.880 20 0 FBADRM O=C([C@H]1CCCS1(=O)=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076593364 836558735 /nfs/dbraw/zinc/55/87/35/836558735.db2.gz MVFKLSNWZRDYQF-HBNTYKKESA-N -1 0 355.420 -0.880 20 0 FBADRM CCN1CCO[C@H](C(=O)N2CC[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)C1 ZINC001076594872 836559571 /nfs/dbraw/zinc/55/95/71/836559571.db2.gz WABKKAWPLHYXIW-XQQFMLRXSA-N -1 0 350.423 -0.736 20 0 FBADRM CCN1CCO[C@@H](C(=O)N2CC[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)C1 ZINC001076594873 836559708 /nfs/dbraw/zinc/55/97/08/836559708.db2.gz WABKKAWPLHYXIW-YNEHKIRRSA-N -1 0 350.423 -0.736 20 0 FBADRM C[C@@H](C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)N1CCOCC1 ZINC001076645434 836563001 /nfs/dbraw/zinc/56/30/01/836563001.db2.gz JHQMULKDWDYBQF-RWMBFGLXSA-N -1 0 350.423 -0.736 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)c1[O-] ZINC001076735307 836579101 /nfs/dbraw/zinc/57/91/01/836579101.db2.gz AQWQNZJVWQQPJJ-WCABBAIRSA-N -1 0 351.407 -0.037 20 0 FBADRM C[C@@H](CCNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1cnc([O-])n(C)c1=O ZINC001076855206 836612351 /nfs/dbraw/zinc/61/23/51/836612351.db2.gz JAINSJSFZMVCNH-PUTJDCORSA-N -1 0 350.375 -0.853 20 0 FBADRM CCc1noc([C@H](C)N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001076882528 836616743 /nfs/dbraw/zinc/61/67/43/836616743.db2.gz KAGKZPVMXUPEIJ-IVZWLZJFSA-N -1 0 350.379 -0.095 20 0 FBADRM CCc1noc([C@@H](C)N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001076882529 836616707 /nfs/dbraw/zinc/61/67/07/836616707.db2.gz KAGKZPVMXUPEIJ-OPRDCNLKSA-N -1 0 350.379 -0.095 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@H]3CCN(C(C)C)C3=O)C[C@H]2O)c1[O-] ZINC001076883265 836616637 /nfs/dbraw/zinc/61/66/37/836616637.db2.gz SEDCQZXDELXDNR-GRYCIOLGSA-N -1 0 351.407 -0.792 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@@H]3CCN(C(C)C)C3=O)C[C@H]2O)c1[O-] ZINC001076883268 836616875 /nfs/dbraw/zinc/61/68/75/836616875.db2.gz SEDCQZXDELXDNR-IJLUTSLNSA-N -1 0 351.407 -0.792 20 0 FBADRM CCOc1nnc(CN2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)s1 ZINC001076883274 836616365 /nfs/dbraw/zinc/61/63/65/836616365.db2.gz SEWPQRIXKATXKP-RKDXNWHRSA-N -1 0 368.419 -0.351 20 0 FBADRM CCCc1noc(CN2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001076889957 836621298 /nfs/dbraw/zinc/62/12/98/836621298.db2.gz BTEXTTDZDXSYHE-NXEZZACHSA-N -1 0 350.379 -0.266 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CCn3cc(Cl)cn3)C[C@H]2O)c1[O-] ZINC001076890032 836621080 /nfs/dbraw/zinc/62/10/80/836621080.db2.gz GGAPRKUHSMLPAA-GHMZBOCLSA-N -1 0 354.798 -0.251 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nnsc3Cl)C[C@H]2O)c1[O-] ZINC001076890068 836621478 /nfs/dbraw/zinc/62/14/78/836621478.db2.gz IAZBYZXCHFTNME-HTRCEHHLSA-N -1 0 358.811 -0.096 20 0 FBADRM CCCc1nc(CN2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)no1 ZINC001076890103 836621198 /nfs/dbraw/zinc/62/11/98/836621198.db2.gz JRYFLMZCKZWOIO-NXEZZACHSA-N -1 0 350.379 -0.266 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nsc(N(C)C)n3)C[C@H]2O)c1[O-] ZINC001076890180 836621308 /nfs/dbraw/zinc/62/13/08/836621308.db2.gz NTBLWAHTPGJUEL-RKDXNWHRSA-N -1 0 367.435 -0.684 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3ncc(Cl)n3C)C[C@H]2O)c1[O-] ZINC001076890182 836620783 /nfs/dbraw/zinc/62/07/83/836620783.db2.gz NTXPRMDUHZSTOZ-RKDXNWHRSA-N -1 0 354.798 -0.214 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nnc(C(C)C)o3)C[C@H]2O)c1[O-] ZINC001076890196 836620747 /nfs/dbraw/zinc/62/07/47/836620747.db2.gz ORFYRBFKTHUIFV-NXEZZACHSA-N -1 0 350.379 -0.095 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nc(C(C)C)no3)C[C@H]2O)c1[O-] ZINC001076890271 836621386 /nfs/dbraw/zinc/62/13/86/836621386.db2.gz RXBFIYNQIJQPAU-NXEZZACHSA-N -1 0 350.379 -0.095 20 0 FBADRM Cc1noc(CCCN2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001076890298 836621225 /nfs/dbraw/zinc/62/12/25/836621225.db2.gz SZRLYJXMFQVMPI-GHMZBOCLSA-N -1 0 350.379 -0.477 20 0 FBADRM CCc1nnc(CN2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)s1 ZINC001076890322 836621172 /nfs/dbraw/zinc/62/11/72/836621172.db2.gz VAYUXVKTNHSWBX-RKDXNWHRSA-N -1 0 352.420 -0.187 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)NC3CCCC3)C[C@H]2O)c1[O-] ZINC001076890342 836620945 /nfs/dbraw/zinc/62/09/45/836620945.db2.gz WCLOKCMPQSGOEK-VXGBXAGGSA-N -1 0 351.407 -0.743 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)Nc3nccs3)C[C@H]2O)c1[O-] ZINC001076890345 836620766 /nfs/dbraw/zinc/62/07/66/836620766.db2.gz WGQWWYQZLMRKHI-RKDXNWHRSA-N -1 0 366.403 -0.706 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nccn3C(F)F)C[C@H]2O)c1[O-] ZINC001076890351 836621313 /nfs/dbraw/zinc/62/13/13/836621313.db2.gz WKJVDVZWRMHNDY-RKDXNWHRSA-N -1 0 356.333 -0.010 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)N3CCCCC3)C[C@H]2O)c1[O-] ZINC001076890386 836620858 /nfs/dbraw/zinc/62/08/58/836620858.db2.gz XPDYIGMWRGBERL-VXGBXAGGSA-N -1 0 351.407 -0.789 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nn(C)cc3Cl)C[C@H]2O)c1[O-] ZINC001076890430 836621303 /nfs/dbraw/zinc/62/13/03/836621303.db2.gz ZDNFQPLLOPBZDD-GHMZBOCLSA-N -1 0 354.798 -0.214 20 0 FBADRM COc1cc(CN2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)sn1 ZINC001076890433 836621183 /nfs/dbraw/zinc/62/11/83/836621183.db2.gz ZHRHSLGKMUKGDM-NXEZZACHSA-N -1 0 353.404 -0.136 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3noc(C(C)C)n3)C[C@H]2O)c1[O-] ZINC001076890440 836621487 /nfs/dbraw/zinc/62/14/87/836621487.db2.gz ZQMWBINYSZBBAL-NXEZZACHSA-N -1 0 350.379 -0.095 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nc(C(F)F)no3)C[C@H]2O)c1[O-] ZINC001076890447 836621018 /nfs/dbraw/zinc/62/10/18/836621018.db2.gz ZXZMDNPYISIQHA-RNFRBKRXSA-N -1 0 358.305 -0.281 20 0 FBADRM CCc1nnc([C@H](C)N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)o1 ZINC001076892550 836620266 /nfs/dbraw/zinc/62/02/66/836620266.db2.gz NYRBPLDCVZIXBF-IVZWLZJFSA-N -1 0 350.379 -0.095 20 0 FBADRM CCc1nnc([C@@H](C)N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)o1 ZINC001076892551 836620210 /nfs/dbraw/zinc/62/02/10/836620210.db2.gz NYRBPLDCVZIXBF-OPRDCNLKSA-N -1 0 350.379 -0.095 20 0 FBADRM COc1nscc1CN1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001076892818 836619572 /nfs/dbraw/zinc/61/95/72/836619572.db2.gz QMTLKKZBICHKFL-NXEZZACHSA-N -1 0 353.404 -0.136 20 0 FBADRM Cc1csc(=O)n1CCN1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001076892948 836619973 /nfs/dbraw/zinc/61/99/73/836619973.db2.gz XOWOYKGWGHIAEY-GHMZBOCLSA-N -1 0 367.431 -0.570 20 0 FBADRM O=C(N[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1O)[C@H]1CC1(F)F ZINC001076970519 836642889 /nfs/dbraw/zinc/64/28/89/836642889.db2.gz PUIHDTFROVTHPO-GMTAPVOTSA-N -1 0 353.329 -0.661 20 0 FBADRM O=C(N[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1O)[C@@H]1CC1(F)F ZINC001076970520 836643298 /nfs/dbraw/zinc/64/32/98/836643298.db2.gz PUIHDTFROVTHPO-HBNTYKKESA-N -1 0 353.329 -0.661 20 0 FBADRM CCCc1onc(C)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076987197 836648316 /nfs/dbraw/zinc/64/83/16/836648316.db2.gz GIFXATHOUYJSRJ-NXEZZACHSA-N -1 0 350.379 -0.266 20 0 FBADRM CC(C)(C)c1nc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)co1 ZINC001076989135 836649381 /nfs/dbraw/zinc/64/93/81/836649381.db2.gz VCTNVBCQHCEVSO-PSASIEDQSA-N -1 0 350.379 -0.229 20 0 FBADRM Cc1oc(C(C)C)nc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001076990278 836649209 /nfs/dbraw/zinc/64/92/09/836649209.db2.gz WJZHDMABIUEXPZ-NXEZZACHSA-N -1 0 350.379 -0.095 20 0 FBADRM CO[C@H](C)c1nc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)cs1 ZINC001076995900 836652206 /nfs/dbraw/zinc/65/22/06/836652206.db2.gz XLKDICHVKIGHKD-NQMVMOMDSA-N -1 0 368.419 -0.351 20 0 FBADRM CO[C@@H](C)c1nc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)cs1 ZINC001076995901 836652052 /nfs/dbraw/zinc/65/20/52/836652052.db2.gz XLKDICHVKIGHKD-QXFUBDJGSA-N -1 0 368.419 -0.351 20 0 FBADRM CO[C@@H](C)c1ncc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)s1 ZINC001076999524 836650496 /nfs/dbraw/zinc/65/04/96/836650496.db2.gz VMELRBUVWFSVFO-DJLDLDEBSA-N -1 0 368.419 -0.351 20 0 FBADRM CO[C@H](C)c1ncc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)s1 ZINC001076999525 836650914 /nfs/dbraw/zinc/65/09/14/836650914.db2.gz VMELRBUVWFSVFO-IWSPIJDZSA-N -1 0 368.419 -0.351 20 0 FBADRM CC(C)(C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@H]1CCCCO1 ZINC001077010679 836655559 /nfs/dbraw/zinc/65/55/59/836655559.db2.gz IEDUHBADXQVJTO-IJLUTSLNSA-N -1 0 353.423 -0.233 20 0 FBADRM CC(C)(C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@@H]1CCCCO1 ZINC001077010680 836655769 /nfs/dbraw/zinc/65/57/69/836655769.db2.gz IEDUHBADXQVJTO-UTUOFQBUSA-N -1 0 353.423 -0.233 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ncnc2sccc21 ZINC001077020579 836657809 /nfs/dbraw/zinc/65/78/09/836657809.db2.gz NTMFNKYKIXXQJU-RKDXNWHRSA-N -1 0 361.387 -0.510 20 0 FBADRM CC(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077021795 836657987 /nfs/dbraw/zinc/65/79/87/836657987.db2.gz XHCSTVIUQFVTIT-SFTQSGBHSA-N -1 0 353.423 -0.377 20 0 FBADRM O=C(Cc1ccc(F)cc1F)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077034715 836661839 /nfs/dbraw/zinc/66/18/39/836661839.db2.gz NATWVCPBDXCJHX-VXGBXAGGSA-N -1 0 353.329 -0.308 20 0 FBADRM COc1cccc(F)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077043782 836663231 /nfs/dbraw/zinc/66/32/31/836663231.db2.gz NIAYIRRSNYHDLZ-NXEZZACHSA-N -1 0 351.338 -0.367 20 0 FBADRM CCn1ncc(Cl)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077056141 836663773 /nfs/dbraw/zinc/66/37/73/836663773.db2.gz HSPIESSUSFQWSD-RKDXNWHRSA-N -1 0 355.786 -0.645 20 0 FBADRM Cc1nc(Cl)sc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077065778 836669576 /nfs/dbraw/zinc/66/95/76/836669576.db2.gz VDGILWOIISLVRL-RNFRBKRXSA-N -1 0 358.811 -0.096 20 0 FBADRM Cc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)nn1C(F)F ZINC001077070211 836670077 /nfs/dbraw/zinc/67/00/77/836670077.db2.gz SHFAZIJSVCUEOC-RKDXNWHRSA-N -1 0 357.321 -0.615 20 0 FBADRM COc1cnc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c(F)c1 ZINC001077103508 836681647 /nfs/dbraw/zinc/68/16/47/836681647.db2.gz SZWKXEKDCVTAGV-NXEZZACHSA-N -1 0 352.326 -0.972 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ncnc2ccsc21 ZINC001077104798 836679457 /nfs/dbraw/zinc/67/94/57/836679457.db2.gz JKLHMRLESZMKOS-RKDXNWHRSA-N -1 0 361.387 -0.510 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccc(C(F)F)nc1 ZINC001077109395 836681937 /nfs/dbraw/zinc/68/19/37/836681937.db2.gz XYFBBZKRIOSYCM-NXEZZACHSA-N -1 0 354.317 -0.182 20 0 FBADRM O=C(Cn1ccc(C(F)F)n1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077110330 836682782 /nfs/dbraw/zinc/68/27/82/836682782.db2.gz MSCRJXAIRUEPNH-RKDXNWHRSA-N -1 0 357.321 -0.994 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1[nH]ncc1C(F)(F)F ZINC001077115325 836683736 /nfs/dbraw/zinc/68/37/36/836683736.db2.gz AUCMIBKFJCNTCX-RNFRBKRXSA-N -1 0 361.284 -0.773 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1c(Cl)n[nH]c1C1CC1 ZINC001077117155 836683973 /nfs/dbraw/zinc/68/39/73/836683973.db2.gz OPANRVNMMSCQNB-HTQZYQBOSA-N -1 0 367.797 -0.261 20 0 FBADRM CCc1[nH]nc(Cl)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077118236 836687334 /nfs/dbraw/zinc/68/73/34/836687334.db2.gz KKUUDOUSPYOZHP-HTQZYQBOSA-N -1 0 355.786 -0.576 20 0 FBADRM Cc1cn2cc(C(=O)N[C@@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]3O)sc2n1 ZINC001077131223 836691065 /nfs/dbraw/zinc/69/10/65/836691065.db2.gz RPSRNSWJSTXUHJ-RKDXNWHRSA-N -1 0 363.403 -0.497 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)NCC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001077136624 836694779 /nfs/dbraw/zinc/69/47/79/836694779.db2.gz GWFVTMONVPROSC-NGZCFLSTSA-N -1 0 353.379 -0.278 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)NCC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001077136917 836695064 /nfs/dbraw/zinc/69/50/64/836695064.db2.gz VUMLBTYZDIOZLM-UMNHJUIQSA-N -1 0 355.395 -0.485 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1[nH]cnc1C(F)(F)F ZINC001077139012 836693680 /nfs/dbraw/zinc/69/36/80/836693680.db2.gz UEHUSXNJCGYJET-PHDIDXHHSA-N -1 0 361.284 -0.773 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1nc2cccnc2s1 ZINC001077139879 836693588 /nfs/dbraw/zinc/69/35/88/836693588.db2.gz MGRSVKWBJNKXKQ-RKDXNWHRSA-N -1 0 361.387 -0.510 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)c1[O-] ZINC001077146692 836697589 /nfs/dbraw/zinc/69/75/89/836697589.db2.gz XGZPOQNHICAHLO-HOSYDEDBSA-N -1 0 353.423 -0.233 20 0 FBADRM Cn1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c(C(F)F)n1 ZINC001077146951 836699014 /nfs/dbraw/zinc/69/90/14/836699014.db2.gz VFBZDJZPBVUYFQ-HTQZYQBOSA-N -1 0 357.321 -0.844 20 0 FBADRM Cc1c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)sc2nccn12 ZINC001077151983 836700034 /nfs/dbraw/zinc/70/00/34/836700034.db2.gz SDWZQILKJMRPQD-RKDXNWHRSA-N -1 0 363.403 -0.497 20 0 FBADRM CCc1[nH]nc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1Cl ZINC001077154059 836700765 /nfs/dbraw/zinc/70/07/65/836700765.db2.gz ACLWBRPYZWGGTP-HTQZYQBOSA-N -1 0 355.786 -0.576 20 0 FBADRM COc1ccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)cc1F ZINC001077171484 836708273 /nfs/dbraw/zinc/70/82/73/836708273.db2.gz DTGBSKSDOFWNCC-GHMZBOCLSA-N -1 0 351.338 -0.367 20 0 FBADRM Cc1noc(C(C)C)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077172784 836707915 /nfs/dbraw/zinc/70/79/15/836707915.db2.gz QAMXRPFFSSWOFV-NXEZZACHSA-N -1 0 350.379 -0.095 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1snnc1C1CC1 ZINC001077173633 836708894 /nfs/dbraw/zinc/70/88/94/836708894.db2.gz FIZAVAXSIGFWKL-HTQZYQBOSA-N -1 0 351.392 -0.786 20 0 FBADRM Cc1c(Cl)cncc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077173785 836709230 /nfs/dbraw/zinc/70/92/30/836709230.db2.gz MZSWAOSQXGVARB-GHMZBOCLSA-N -1 0 352.782 -0.158 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cc(C(F)(F)F)no1 ZINC001077187480 836711258 /nfs/dbraw/zinc/71/12/58/836711258.db2.gz WHHQDGADTJMMQJ-PHDIDXHHSA-N -1 0 362.268 -0.508 20 0 FBADRM Cc1noc(C(F)F)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077208687 836719637 /nfs/dbraw/zinc/71/96/37/836719637.db2.gz MJGRNGRLLXXBOJ-RNFRBKRXSA-N -1 0 358.305 -0.281 20 0 FBADRM Cc1cc(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)ncc1Cl ZINC001077221294 836722394 /nfs/dbraw/zinc/72/23/94/836722394.db2.gz LOCZQVVTQBPOTE-VXGBXAGGSA-N -1 0 366.809 -0.229 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cc(C(F)F)ncn1 ZINC001077226216 836724689 /nfs/dbraw/zinc/72/46/89/836724689.db2.gz FJPRPWKZBUIQBK-RKDXNWHRSA-N -1 0 355.305 -0.787 20 0 FBADRM Cc1nc2sccn2c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077229045 836727072 /nfs/dbraw/zinc/72/70/72/836727072.db2.gz KEZKIYGGGQONCS-RKDXNWHRSA-N -1 0 363.403 -0.497 20 0 FBADRM COCc1sccc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077231357 836724825 /nfs/dbraw/zinc/72/48/25/836724825.db2.gz NLNGBFNJKLAORI-NXEZZACHSA-N -1 0 353.404 -0.307 20 0 FBADRM Cc1nc(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c(C)s1 ZINC001077232380 836725110 /nfs/dbraw/zinc/72/51/10/836725110.db2.gz KKVSWUPMJBCPIG-GHMZBOCLSA-N -1 0 352.420 -0.512 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ncoc1C(F)(F)F ZINC001077264516 836738169 /nfs/dbraw/zinc/73/81/69/836738169.db2.gz YSFMNVCQQWIZIW-PHDIDXHHSA-N -1 0 362.268 -0.508 20 0 FBADRM O=C(N[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)C[C@H]1O)c1cn[nH]n1 ZINC001077287426 836745551 /nfs/dbraw/zinc/74/55/51/836745551.db2.gz ZJNLMQOGMZFJRA-NXEZZACHSA-N -1 0 361.387 -0.510 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1n[nH]c(C2CC2)c1Cl ZINC001077303435 836752240 /nfs/dbraw/zinc/75/22/40/836752240.db2.gz VHDKYMGXOOSUAN-HTQZYQBOSA-N -1 0 367.797 -0.261 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1coc(C(F)(F)F)n1 ZINC001077307840 836753201 /nfs/dbraw/zinc/75/32/01/836753201.db2.gz SMPYAICCXTYXHY-IYSWYEEDSA-N -1 0 362.268 -0.508 20 0 FBADRM Cc1nn(C)c(Cl)c1CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077308892 836753088 /nfs/dbraw/zinc/75/30/88/836753088.db2.gz QTKAGMZCRIEHIR-NXEZZACHSA-N -1 0 369.813 -0.890 20 0 FBADRM O=C(N[C@@H]1CN(Cc2cccc(Cl)c2)C[C@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001077309732 836752821 /nfs/dbraw/zinc/75/28/21/836752821.db2.gz CVPLUMVWZGBTQA-GHMZBOCLSA-N -1 0 365.777 -0.089 20 0 FBADRM O=C(N[C@@H]1CN(Cc2ccc(Cl)nc2)C[C@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001077309737 836752980 /nfs/dbraw/zinc/75/29/80/836752980.db2.gz DAQVOJTUBBVXMP-RKDXNWHRSA-N -1 0 366.765 -0.694 20 0 FBADRM Cc1nc(CN2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)sc1C ZINC001077309837 836753179 /nfs/dbraw/zinc/75/31/79/836753179.db2.gz JJYPVFZMMBJPCF-RKDXNWHRSA-N -1 0 366.403 -0.669 20 0 FBADRM O=C(N[C@@H]1CN(Cc2sccc2Cl)C[C@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001077309839 836753231 /nfs/dbraw/zinc/75/32/31/836753231.db2.gz JKRLGQWYYHTNBK-HTQZYQBOSA-N -1 0 371.806 -0.027 20 0 FBADRM O=C(N[C@@H]1CN(Cc2cccc(Cl)n2)C[C@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001077309876 836753349 /nfs/dbraw/zinc/75/33/49/836753349.db2.gz KYKGAOICWGWTOX-RKDXNWHRSA-N -1 0 366.765 -0.694 20 0 FBADRM Cc1ncsc1CN1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001077309898 836753006 /nfs/dbraw/zinc/75/30/06/836753006.db2.gz MCVSCKHDGLRCLL-HTQZYQBOSA-N -1 0 352.376 -0.977 20 0 FBADRM Cc1csc(CN2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001077309906 836753060 /nfs/dbraw/zinc/75/30/60/836753060.db2.gz MLZBWMVUCKKLKV-HTQZYQBOSA-N -1 0 352.376 -0.977 20 0 FBADRM O=C(N[C@@H]1CN(Cc2ccc(Cl)s2)C[C@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001077309926 836753284 /nfs/dbraw/zinc/75/32/84/836753284.db2.gz NKGGFBPIYATLNK-HTQZYQBOSA-N -1 0 371.806 -0.027 20 0 FBADRM O=C(N[C@@H]1CN(C/C(Cl)=C\Cl)C[C@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001077309929 836752808 /nfs/dbraw/zinc/75/28/08/836752808.db2.gz NOFXTWZRDLAZOG-NJTNZHIYSA-N -1 0 350.162 -0.623 20 0 FBADRM O=C(N[C@@H]1CN(C/C(Cl)=C/Cl)C[C@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001077309930 836753140 /nfs/dbraw/zinc/75/31/40/836753140.db2.gz NOFXTWZRDLAZOG-QNQBXUMTSA-N -1 0 350.162 -0.623 20 0 FBADRM O=C(N[C@@H]1CN(Cc2ccccc2Cl)C[C@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001077309973 836753400 /nfs/dbraw/zinc/75/34/00/836753400.db2.gz QCJVNUKTRYIVQQ-GHMZBOCLSA-N -1 0 365.777 -0.089 20 0 FBADRM O=C(N[C@@H]1CN(Cc2ccnc(Cl)c2)C[C@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001077309978 836754645 /nfs/dbraw/zinc/75/46/45/836754645.db2.gz QQEOJXFCMFMHFO-RKDXNWHRSA-N -1 0 366.765 -0.694 20 0 FBADRM Cc1nc(C)c(CN2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)s1 ZINC001077310017 836754451 /nfs/dbraw/zinc/75/44/51/836754451.db2.gz SALYFJWVBCIMLE-RKDXNWHRSA-N -1 0 366.403 -0.669 20 0 FBADRM Cc1ncc(CN2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)s1 ZINC001077310053 836754700 /nfs/dbraw/zinc/75/47/00/836754700.db2.gz UKWBLLAMRVWLQU-RKDXNWHRSA-N -1 0 352.376 -0.977 20 0 FBADRM O=C(N[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001077310067 836754061 /nfs/dbraw/zinc/75/40/61/836754061.db2.gz VKKHFHBENODIKS-GHMZBOCLSA-N -1 0 365.777 -0.089 20 0 FBADRM O=C(N[C@@H]1CN(Cc2ccncc2Cl)C[C@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001077310094 836754293 /nfs/dbraw/zinc/75/42/93/836754293.db2.gz WHSTZKGPZAAZPU-NXEZZACHSA-N -1 0 366.765 -0.694 20 0 FBADRM Cc1nsc(C)c1CN1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001077310118 836753790 /nfs/dbraw/zinc/75/37/90/836753790.db2.gz XIVIHDTVCYJIEH-NXEZZACHSA-N -1 0 366.403 -0.669 20 0 FBADRM Cc1nc(CN2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)c(C)s1 ZINC001077310175 836753747 /nfs/dbraw/zinc/75/37/47/836753747.db2.gz ZOOPDPLWIJASSM-NXEZZACHSA-N -1 0 366.403 -0.669 20 0 FBADRM Cc1cc(CN2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)cs1 ZINC001077310789 836754160 /nfs/dbraw/zinc/75/41/60/836754160.db2.gz BMRFYTYIVIIUIQ-NXEZZACHSA-N -1 0 351.388 -0.372 20 0 FBADRM Cc1cc(CN2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)sn1 ZINC001077310863 836754261 /nfs/dbraw/zinc/75/42/61/836754261.db2.gz FWHVONBCJSBYMS-RKDXNWHRSA-N -1 0 352.376 -0.977 20 0 FBADRM O=C(N[C@@H]1CN(CC=C(Cl)Cl)C[C@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001077310901 836754800 /nfs/dbraw/zinc/75/48/00/836754800.db2.gz HOBSSXQMLVHIAY-PHDIDXHHSA-N -1 0 350.162 -0.623 20 0 FBADRM Cc1cnc([C@H](C)N2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC001077310927 836754036 /nfs/dbraw/zinc/75/40/36/836754036.db2.gz IIUZKASDJKUKLA-DJLDLDEBSA-N -1 0 350.335 -0.885 20 0 FBADRM Cc1cnc([C@@H](C)N2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)o1 ZINC001077310928 836754150 /nfs/dbraw/zinc/75/41/50/836754150.db2.gz IIUZKASDJKUKLA-IWSPIJDZSA-N -1 0 350.335 -0.885 20 0 FBADRM Cc1nc(CN2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)cs1 ZINC001077311054 836753732 /nfs/dbraw/zinc/75/37/32/836753732.db2.gz PDOYVFOCWOSUPE-RKDXNWHRSA-N -1 0 352.376 -0.977 20 0 FBADRM Cc1nc(CCN2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)cs1 ZINC001077311199 836753827 /nfs/dbraw/zinc/75/38/27/836753827.db2.gz WUBGPOGBXMYTCZ-NXEZZACHSA-N -1 0 366.403 -0.935 20 0 FBADRM CCc1nc(CN2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)cs1 ZINC001077311211 836754804 /nfs/dbraw/zinc/75/48/04/836754804.db2.gz XRCNDOYWJLZGDA-RKDXNWHRSA-N -1 0 366.403 -0.723 20 0 FBADRM Cc1cnc(CN2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)s1 ZINC001077311257 836754047 /nfs/dbraw/zinc/75/40/47/836754047.db2.gz ZWXBCHHGCWOXCR-HTQZYQBOSA-N -1 0 352.376 -0.977 20 0 FBADRM COCc1csc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1 ZINC001077314463 836756850 /nfs/dbraw/zinc/75/68/50/836756850.db2.gz QNYHOJVVJGXQPK-NXEZZACHSA-N -1 0 353.404 -0.307 20 0 FBADRM COc1ccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c(F)c1 ZINC001077316623 836758141 /nfs/dbraw/zinc/75/81/41/836758141.db2.gz PMAUPRAYLSTKPP-VXGBXAGGSA-N -1 0 351.338 -0.367 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cc(Br)c[nH]1 ZINC001077330377 836759039 /nfs/dbraw/zinc/75/90/39/836759039.db2.gz CSQUSEXFORYPKM-RKDXNWHRSA-N -1 0 371.195 -0.424 20 0 FBADRM CC(C)(C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CCOCC1 ZINC001077349994 836770117 /nfs/dbraw/zinc/77/01/17/836770117.db2.gz LVJGXYUWEXVEFB-VXGBXAGGSA-N -1 0 353.423 -0.376 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1nc2cnccc2s1 ZINC001077357632 836774334 /nfs/dbraw/zinc/77/43/34/836774334.db2.gz DCSJVRGXNPNEHP-RKDXNWHRSA-N -1 0 361.387 -0.510 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cccnc1C(F)F ZINC001077357732 836773818 /nfs/dbraw/zinc/77/38/18/836773818.db2.gz JBGAVZQJHURFKW-RKDXNWHRSA-N -1 0 354.317 -0.182 20 0 FBADRM Cc1sc(Cl)nc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077362055 836775315 /nfs/dbraw/zinc/77/53/15/836775315.db2.gz GTQRSHSQCFAAGV-RNFRBKRXSA-N -1 0 358.811 -0.096 20 0 FBADRM CC(C)(C)c1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)no1 ZINC001077367625 836775178 /nfs/dbraw/zinc/77/51/78/836775178.db2.gz MSDOWDVJDHBKRC-NXEZZACHSA-N -1 0 350.379 -0.229 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1scnc1C(F)F ZINC001077369472 836775618 /nfs/dbraw/zinc/77/56/18/836775618.db2.gz WQBSSSAKJCXZNV-PHDIDXHHSA-N -1 0 360.346 -0.121 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001077373690 836776203 /nfs/dbraw/zinc/77/62/03/836776203.db2.gz JQDSKWISTZKVON-UMSGYPCISA-N -1 0 351.407 -0.766 20 0 FBADRM Cn1nc(C(F)F)cc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077378542 836776870 /nfs/dbraw/zinc/77/68/70/836776870.db2.gz VWFSCLKAPPKSKE-VXNVDRBHSA-N -1 0 357.321 -0.844 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1nc2c(s1)CCC2 ZINC001077387538 836780266 /nfs/dbraw/zinc/78/02/66/836780266.db2.gz KQCNMPDJGXHRKF-RKDXNWHRSA-N -1 0 350.404 -0.569 20 0 FBADRM Cn1nc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)cc1C(F)F ZINC001077388941 836777765 /nfs/dbraw/zinc/77/77/65/836777765.db2.gz BAQLBWNMOSXAGH-VXNVDRBHSA-N -1 0 357.321 -0.844 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1conc1C(F)(F)F ZINC001077393648 836779881 /nfs/dbraw/zinc/77/98/81/836779881.db2.gz CYGXQAOHIVLUHI-RNFRBKRXSA-N -1 0 362.268 -0.508 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1c[nH]c(Br)c1 ZINC001077403187 836784448 /nfs/dbraw/zinc/78/44/48/836784448.db2.gz XZZQLUIKEBXZLN-HTQZYQBOSA-N -1 0 371.195 -0.424 20 0 FBADRM CC1(C)CC[C@H](CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)OC1 ZINC001077410907 836782515 /nfs/dbraw/zinc/78/25/15/836782515.db2.gz IFDTZSHWNFKDET-IJLUTSLNSA-N -1 0 353.423 -0.233 20 0 FBADRM CC1(C)CC[C@@H](CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)OC1 ZINC001077410908 836782468 /nfs/dbraw/zinc/78/24/68/836782468.db2.gz IFDTZSHWNFKDET-QJPTWQEYSA-N -1 0 353.423 -0.233 20 0 FBADRM Cc1nc(C)c(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)s1 ZINC001077415974 836785247 /nfs/dbraw/zinc/78/52/47/836785247.db2.gz HRTFUZIRTYZFAQ-NXEZZACHSA-N -1 0 352.420 -0.512 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cnc(CC2CC2)s1 ZINC001077436642 836846654 /nfs/dbraw/zinc/84/66/54/836846654.db2.gz QUNJPCMXJNCQCU-NXEZZACHSA-N -1 0 364.431 -0.106 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ocnc1C(F)(F)F ZINC001077446457 836867874 /nfs/dbraw/zinc/86/78/74/836867874.db2.gz IHQPCQWWOWTUCT-PHDIDXHHSA-N -1 0 362.268 -0.508 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1(C2CC2)CCOCC1 ZINC001077447576 836868766 /nfs/dbraw/zinc/86/87/66/836868766.db2.gz DNROGXGFXGVYHS-VXGBXAGGSA-N -1 0 351.407 -0.622 20 0 FBADRM CC(C)n1ncc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1Cl ZINC001077459126 836895854 /nfs/dbraw/zinc/89/58/54/836895854.db2.gz UARKAOUMNWEZSA-NXEZZACHSA-N -1 0 369.813 -0.084 20 0 FBADRM Cc1nn(C)c(Cl)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077475136 836914492 /nfs/dbraw/zinc/91/44/92/836914492.db2.gz UWYODGJDAGLFJH-HTQZYQBOSA-N -1 0 355.786 -0.819 20 0 FBADRM COc1ccc(F)cc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077478428 836921495 /nfs/dbraw/zinc/92/14/95/836921495.db2.gz APKRNWJNQGBCLT-GHMZBOCLSA-N -1 0 351.338 -0.367 20 0 FBADRM Cc1cnc(CN2C[C@@H](O)[C@H](NC(=O)c3cnc([O-])n(C)c3=O)C2)s1 ZINC001077498594 836958263 /nfs/dbraw/zinc/95/82/63/836958263.db2.gz NHWHQNLHCIAPPV-GHMZBOCLSA-N -1 0 365.415 -0.774 20 0 FBADRM Cc1csc(CN2C[C@@H](O)[C@H](NC(=O)c3cnc([O-])n(C)c3=O)C2)n1 ZINC001077498639 836958785 /nfs/dbraw/zinc/95/87/85/836958785.db2.gz NZEAMOPXDFKTEO-GHMZBOCLSA-N -1 0 365.415 -0.774 20 0 FBADRM Cc1nc(CN2C[C@@H](O)[C@H](NC(=O)c3cnc([O-])n(C)c3=O)C2)cs1 ZINC001077501656 836962221 /nfs/dbraw/zinc/96/22/21/836962221.db2.gz HKDIOEJHIAXSEG-VXGBXAGGSA-N -1 0 365.415 -0.774 20 0 FBADRM Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)c3c(C)nc[nH]c3=O)C2)s1 ZINC001077545069 837133775 /nfs/dbraw/zinc/13/37/75/837133775.db2.gz PYURTCJSOZMWSP-NXEZZACHSA-N -1 0 350.404 -0.374 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001077577974 837205224 /nfs/dbraw/zinc/20/52/24/837205224.db2.gz HIFZMVZOROHJKS-NGZCFLSTSA-N -1 0 353.379 -0.278 20 0 FBADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001077578133 837206010 /nfs/dbraw/zinc/20/60/10/837206010.db2.gz NGDSHLDHZZJFRO-JLIMGVALSA-N -1 0 351.363 -0.525 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001077578319 837205323 /nfs/dbraw/zinc/20/53/23/837205323.db2.gz WYPVFSCNBWQZPG-AEJSXWLSSA-N -1 0 353.379 -0.278 20 0 FBADRM O=C(Cc1cc(F)ccc1F)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077589641 837240421 /nfs/dbraw/zinc/24/04/21/837240421.db2.gz LEERPNZPDHZUGW-VXGBXAGGSA-N -1 0 353.329 -0.308 20 0 FBADRM O=C(Cc1ccc(F)c(F)c1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077590627 837240551 /nfs/dbraw/zinc/24/05/51/837240551.db2.gz HSBXVDRXDCLPDW-VXGBXAGGSA-N -1 0 353.329 -0.308 20 0 FBADRM O=C(Cc1c(F)cccc1F)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077591671 837241371 /nfs/dbraw/zinc/24/13/71/837241371.db2.gz FZVKGOWVHQAVJO-VXGBXAGGSA-N -1 0 353.329 -0.308 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1c(F)ccc(F)c1F ZINC001077593899 837241977 /nfs/dbraw/zinc/24/19/77/837241977.db2.gz LEYLFMBKTWZOJI-RKDXNWHRSA-N -1 0 357.292 -0.097 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cc(F)c(F)cc1F ZINC001077593952 837242119 /nfs/dbraw/zinc/24/21/19/837242119.db2.gz NEDMDWISLKUIFA-GHMZBOCLSA-N -1 0 357.292 -0.097 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccc(F)c(F)c1F ZINC001077595341 837243304 /nfs/dbraw/zinc/24/33/04/837243304.db2.gz AGUMITJYJPHUQW-RKDXNWHRSA-N -1 0 357.292 -0.097 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1c(F)cc(F)cc1F ZINC001077603642 837248066 /nfs/dbraw/zinc/24/80/66/837248066.db2.gz CNYUNIZBTITIFN-NXEZZACHSA-N -1 0 357.292 -0.097 20 0 FBADRM Cn1nc(CN2C[C@@H](O)[C@H](NC(=O)c3cc4occc4s3)C2)[n-]c1=O ZINC001077664608 837272844 /nfs/dbraw/zinc/27/28/44/837272844.db2.gz JPIDUYLHFNDAQD-RKDXNWHRSA-N -1 0 363.399 -0.109 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ncsc1C1CC1 ZINC001077670732 837275204 /nfs/dbraw/zinc/27/52/04/837275204.db2.gz GHAARNQCMGVOAW-RKDXNWHRSA-N -1 0 350.404 -0.181 20 0 FBADRM O=C(Cc1ccncc1Cl)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077680333 837283379 /nfs/dbraw/zinc/28/33/79/837283379.db2.gz AZLFSFLVWGXNJM-GHMZBOCLSA-N -1 0 352.782 -0.537 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H](C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001077680997 837282230 /nfs/dbraw/zinc/28/22/30/837282230.db2.gz GLDFJHLDPOEPKN-UMNHJUIQSA-N -1 0 355.395 -0.485 20 0 FBADRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001077681022 837282386 /nfs/dbraw/zinc/28/23/86/837282386.db2.gz HFJDXXQLDQAVIT-ZDCRXTMVSA-N -1 0 353.379 -0.732 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001077681073 837282112 /nfs/dbraw/zinc/28/21/12/837282112.db2.gz JDBSXDDSHGFQLG-AXFHLTTASA-N -1 0 355.395 -0.485 20 0 FBADRM C[C@@H](CCNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)[C@]12C[C@H]1COC2 ZINC001077708037 837290977 /nfs/dbraw/zinc/29/09/77/837290977.db2.gz LDVFRAVFWJSSNR-PUTJDCORSA-N -1 0 350.375 -0.853 20 0 FBADRM C[C@@H](CCNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)[C@H]1OCC[C@H]1C ZINC001077708144 837291128 /nfs/dbraw/zinc/29/11/28/837291128.db2.gz PYZDVXAIBUCIML-SCVCMEIPSA-N -1 0 352.391 -0.465 20 0 FBADRM C[C@@H](CCNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC001077708198 837290697 /nfs/dbraw/zinc/29/06/97/837290697.db2.gz SIQJEXSRGWMXFP-HOSYDEDBSA-N -1 0 352.391 -0.322 20 0 FBADRM COc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)ccc1F ZINC001077714714 837291179 /nfs/dbraw/zinc/29/11/79/837291179.db2.gz BGGIMGNNPSKBFI-GHMZBOCLSA-N -1 0 351.338 -0.367 20 0 FBADRM Cn1[nH]c(CN2C[C@@H](O)[C@H](NC(=O)c3cccc(F)c3Cl)C2)nc1=O ZINC001077734199 837292684 /nfs/dbraw/zinc/29/26/84/837292684.db2.gz LBLMLKFDZVDLCO-GHMZBOCLSA-N -1 0 369.784 -0.124 20 0 FBADRM Cn1[nH]c(CN2C[C@@H](O)[C@H](NC(=O)C3CCC(F)(F)CC3)C2)nc1=O ZINC001077735978 837292743 /nfs/dbraw/zinc/29/27/43/837292743.db2.gz ZEDZWEHUCAKWLD-GHMZBOCLSA-N -1 0 359.377 -0.405 20 0 FBADRM O=C(Cc1cccc(F)c1F)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077745509 837293927 /nfs/dbraw/zinc/29/39/27/837293927.db2.gz SXYIWQZQOCEBHN-GHMZBOCLSA-N -1 0 353.329 -0.308 20 0 FBADRM Cc1c(Cl)c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)nn1C ZINC001077761240 837300163 /nfs/dbraw/zinc/30/01/63/837300163.db2.gz NUUCKFMJOVWZJK-HTQZYQBOSA-N -1 0 355.786 -0.819 20 0 FBADRM COc1cc(C)sc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077774174 837304881 /nfs/dbraw/zinc/30/48/81/837304881.db2.gz OTLBHKKSZQTTTL-RKDXNWHRSA-N -1 0 353.404 -0.136 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001077778052 837307463 /nfs/dbraw/zinc/30/74/63/837307463.db2.gz PBLUNMKKRCCCMP-AXFHLTTASA-N -1 0 355.395 -0.485 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001077778175 837308056 /nfs/dbraw/zinc/30/80/56/837308056.db2.gz VEXARYCHGYWWES-AEJSXWLSSA-N -1 0 353.379 -0.278 20 0 FBADRM Cc1ncc(Cl)c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)n1 ZINC001077781244 837308809 /nfs/dbraw/zinc/30/88/09/837308809.db2.gz GMCUUVBGAXNTRB-RKDXNWHRSA-N -1 0 353.770 -0.763 20 0 FBADRM O=C(Cc1csc(C2CC2)n1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077787073 837310943 /nfs/dbraw/zinc/31/09/43/837310943.db2.gz IBQZAXZALFKRIG-GHMZBOCLSA-N -1 0 364.431 -0.252 20 0 FBADRM Cc1nc(N(C)C)sc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077787875 837312924 /nfs/dbraw/zinc/31/29/24/837312924.db2.gz XTLVIEKBVMSBSE-RKDXNWHRSA-N -1 0 367.435 -0.684 20 0 FBADRM O=C(N[C@@H]1CN(Cc2cscn2)C[C@H]1O)c1c[n-]n2c1nccc2=O ZINC001077796410 837315668 /nfs/dbraw/zinc/31/56/68/837315668.db2.gz BFBMIMXPIZZHGQ-VXGBXAGGSA-N -1 0 360.399 -0.546 20 0 FBADRM O=C(N[C@@H]1CN(Cc2nccs2)C[C@H]1O)c1c[n-]n2c1nccc2=O ZINC001077796428 837315483 /nfs/dbraw/zinc/31/54/83/837315483.db2.gz BYRHGJUXNJCGGZ-GHMZBOCLSA-N -1 0 360.399 -0.546 20 0 FBADRM O=C(N[C@@H]1CN(Cc2ccns2)C[C@H]1O)c1c[n-]n2c1nccc2=O ZINC001077796785 837315186 /nfs/dbraw/zinc/31/51/86/837315186.db2.gz VRLIWRHXBVATHC-VXGBXAGGSA-N -1 0 360.399 -0.546 20 0 FBADRM CC[C@@H](C)c1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)on1 ZINC001077801374 837316185 /nfs/dbraw/zinc/31/61/85/837316185.db2.gz OXAMZOYXJNSQFK-FBIMIBRVSA-N -1 0 350.379 -0.013 20 0 FBADRM CC[C@H](C)c1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)on1 ZINC001077801375 837316715 /nfs/dbraw/zinc/31/67/15/837316715.db2.gz OXAMZOYXJNSQFK-JMJZKYOTSA-N -1 0 350.379 -0.013 20 0 FBADRM COCc1ncsc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077804794 837318562 /nfs/dbraw/zinc/31/85/62/837318562.db2.gz RDGIRIGBFGDKDU-VXNVDRBHSA-N -1 0 354.392 -0.912 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1scnc1C1CC1 ZINC001077804871 837319582 /nfs/dbraw/zinc/31/95/82/837319582.db2.gz XCPWTMTZPWZKPV-RKDXNWHRSA-N -1 0 350.404 -0.181 20 0 FBADRM Cc1nc(C(C)C)oc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077806237 837321172 /nfs/dbraw/zinc/32/11/72/837321172.db2.gz BGSJNAUIAQDMKO-NXEZZACHSA-N -1 0 350.379 -0.095 20 0 FBADRM CCc1nc(C)c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)s1 ZINC001077828970 837360751 /nfs/dbraw/zinc/36/07/51/837360751.db2.gz MATRVLXZFRQTCA-RKDXNWHRSA-N -1 0 352.420 -0.187 20 0 FBADRM Cc1noc(Cl)c1CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077831636 837362509 /nfs/dbraw/zinc/36/25/09/837362509.db2.gz UCUHPVMNSSZJSH-RKDXNWHRSA-N -1 0 356.770 -0.636 20 0 FBADRM Cc1noc(C)c1[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077836641 837371329 /nfs/dbraw/zinc/37/13/29/837371329.db2.gz VCRGYNYNIVZAFP-AVPPRXQKSA-N -1 0 350.379 -0.420 20 0 FBADRM Cc1noc(C)c1[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077836642 837370521 /nfs/dbraw/zinc/37/05/21/837370521.db2.gz VCRGYNYNIVZAFP-WHGOUJPWSA-N -1 0 350.379 -0.420 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cc(C(F)(F)F)n[nH]1 ZINC001077838257 837371849 /nfs/dbraw/zinc/37/18/49/837371849.db2.gz SWAABSDDQSTXRN-RNFRBKRXSA-N -1 0 361.284 -0.773 20 0 FBADRM O=C(N[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)C[C@H]1O)c1ncn[nH]1 ZINC001077863563 837377374 /nfs/dbraw/zinc/37/73/74/837377374.db2.gz GKCDDSARAAICJB-RKDXNWHRSA-N -1 0 361.387 -0.510 20 0 FBADRM CC(C)c1nnsc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077881209 837380541 /nfs/dbraw/zinc/38/05/41/837380541.db2.gz KEXLYICBOSAFAA-HTQZYQBOSA-N -1 0 353.408 -0.540 20 0 FBADRM COc1cccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1F ZINC001077883671 837380988 /nfs/dbraw/zinc/38/09/88/837380988.db2.gz JVCMFJISAKFVLD-NXEZZACHSA-N -1 0 351.338 -0.367 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cccc2nsnc21 ZINC001077921503 837392414 /nfs/dbraw/zinc/39/24/14/837392414.db2.gz AAJYCOCTPLONAO-NXEZZACHSA-N -1 0 361.387 -0.510 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1scc2c1OCCO2 ZINC001077939395 837400987 /nfs/dbraw/zinc/40/09/87/837400987.db2.gz UZRWAMSVKZNFDR-HTQZYQBOSA-N -1 0 367.387 -0.682 20 0 FBADRM CCc1nn(C)c(Cl)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077962491 837408021 /nfs/dbraw/zinc/40/80/21/837408021.db2.gz IWJMFBQFVLDHCQ-RKDXNWHRSA-N -1 0 369.813 -0.565 20 0 FBADRM CC(C)(C)c1ocnc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077968195 837411302 /nfs/dbraw/zinc/41/13/02/837411302.db2.gz ICSFEEONEKPIJP-RKDXNWHRSA-N -1 0 350.379 -0.229 20 0 FBADRM COCc1nc(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)cs1 ZINC001077968207 837411400 /nfs/dbraw/zinc/41/14/00/837411400.db2.gz ITFLWFZEYWZJSU-NXEZZACHSA-N -1 0 368.419 -0.983 20 0 FBADRM Cn1ncc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1C(F)F ZINC001077983093 837417268 /nfs/dbraw/zinc/41/72/68/837417268.db2.gz JKUUKEFCPOSWDD-HTQZYQBOSA-N -1 0 357.321 -0.844 20 0 FBADRM O=C(N[C@@H]1CN(Cc2nncs2)C[C@H]1O)c1ccc2oc(=O)nc-2[n-]1 ZINC001077998028 837426951 /nfs/dbraw/zinc/42/69/51/837426951.db2.gz BZPKHVZUZIPJAB-RKDXNWHRSA-N -1 0 362.371 -0.245 20 0 FBADRM O=C(N[C@@H]1CN(Cc2cnns2)C[C@H]1O)c1ccc2oc(=O)nc-2[n-]1 ZINC001077998098 837427432 /nfs/dbraw/zinc/42/74/32/837427432.db2.gz HAZKROGOMHTCTK-NXEZZACHSA-N -1 0 362.371 -0.245 20 0 FBADRM O=C(N[C@@H]1CN(Cc2cnsn2)C[C@H]1O)c1ccc2oc(=O)nc-2[n-]1 ZINC001077998242 837427398 /nfs/dbraw/zinc/42/73/98/837427398.db2.gz MTXOMKGTLLLWDT-NXEZZACHSA-N -1 0 362.371 -0.245 20 0 FBADRM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H]1CN(Cc2ccsc2)C[C@H]1O ZINC001077998316 837426787 /nfs/dbraw/zinc/42/67/87/837426787.db2.gz QNPXAMRLMHCIEZ-NXEZZACHSA-N -1 0 366.399 -0.067 20 0 FBADRM O=C(N[C@@H]1CN(Cc2csnn2)C[C@H]1O)c1ccc2oc(=O)nc-2[n-]1 ZINC001077998385 837427416 /nfs/dbraw/zinc/42/74/16/837427416.db2.gz UVNNKOVMAYTAOJ-NXEZZACHSA-N -1 0 362.371 -0.245 20 0 FBADRM COCc1ccsc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001077999631 837428028 /nfs/dbraw/zinc/42/80/28/837428028.db2.gz SULKETDMHAGJSD-NXEZZACHSA-N -1 0 353.404 -0.307 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CC2(C1)CCOCC2 ZINC001078001963 837428091 /nfs/dbraw/zinc/42/80/91/837428091.db2.gz UIBUYPXAUAOQSV-VXGBXAGGSA-N -1 0 351.407 -0.622 20 0 FBADRM CCCc1nc(C)c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)o1 ZINC001078006741 837431407 /nfs/dbraw/zinc/43/14/07/837431407.db2.gz FIANLCBURLBVRR-NXEZZACHSA-N -1 0 350.379 -0.266 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cc2c(s1)CCOC2 ZINC001078024662 837433282 /nfs/dbraw/zinc/43/32/82/837433282.db2.gz AXYIGLBLCDDNQL-NXEZZACHSA-N -1 0 365.415 -0.380 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cnc(C2CC2)s1 ZINC001078047283 837437570 /nfs/dbraw/zinc/43/75/70/837437570.db2.gz KOTWMUJTOZIQIH-RKDXNWHRSA-N -1 0 350.404 -0.181 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2ccncc2Cl)C[C@H]1O ZINC001078084182 837442831 /nfs/dbraw/zinc/44/28/31/837442831.db2.gz GAYCXLWJSGORIO-GHMZBOCLSA-N -1 0 368.781 -0.901 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2cccc(Cl)n2)C[C@H]1O ZINC001078084204 837442509 /nfs/dbraw/zinc/44/25/09/837442509.db2.gz HCYQMTRYGZWVMU-NXEZZACHSA-N -1 0 368.781 -0.901 20 0 FBADRM Cc1nc(CN2C[C@@H](O)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)sc1C ZINC001078084254 837442420 /nfs/dbraw/zinc/44/24/20/837442420.db2.gz JNVWOUKSPBMSRH-NXEZZACHSA-N -1 0 368.419 -0.876 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2ccnc(Cl)c2)C[C@H]1O ZINC001078084260 837442555 /nfs/dbraw/zinc/44/25/55/837442555.db2.gz JYPXPXDJBUFHPJ-NXEZZACHSA-N -1 0 368.781 -0.901 20 0 FBADRM Cc1nc(C)c(CN2C[C@@H](O)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)s1 ZINC001078084261 837442769 /nfs/dbraw/zinc/44/27/69/837442769.db2.gz JYXMOQYOMQIXPP-NXEZZACHSA-N -1 0 368.419 -0.876 20 0 FBADRM Cc1nc(CN2C[C@@H](O)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)c(C)s1 ZINC001078084263 837442805 /nfs/dbraw/zinc/44/28/05/837442805.db2.gz KBLXPJODAILOKD-GHMZBOCLSA-N -1 0 368.419 -0.876 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2ccc(Cl)nc2)C[C@H]1O ZINC001078084349 837442679 /nfs/dbraw/zinc/44/26/79/837442679.db2.gz NSPBPKSCZGVBCF-NXEZZACHSA-N -1 0 368.781 -0.901 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2ccccc2Cl)C[C@H]1O ZINC001078084354 837442684 /nfs/dbraw/zinc/44/26/84/837442684.db2.gz NUYJUYATSUXQLW-VXGBXAGGSA-N -1 0 367.793 -0.296 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2ccc(F)cc2)C[C@H]1O ZINC001078084376 837442666 /nfs/dbraw/zinc/44/26/66/837442666.db2.gz OURLZLHLFVKQHN-VXGBXAGGSA-N -1 0 351.338 -0.810 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1O ZINC001078084423 837442647 /nfs/dbraw/zinc/44/26/47/837442647.db2.gz QOBAAWOGXJRSCP-VXGBXAGGSA-N -1 0 367.793 -0.296 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2cccc(Cl)c2)C[C@H]1O ZINC001078084424 837442862 /nfs/dbraw/zinc/44/28/62/837442862.db2.gz QOCQXTGHDZGHDA-VXGBXAGGSA-N -1 0 367.793 -0.296 20 0 FBADRM Cc1cc(CN2C[C@@H](O)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)cs1 ZINC001078084454 837442691 /nfs/dbraw/zinc/44/26/91/837442691.db2.gz RUFJVYGAHKIVRD-GHMZBOCLSA-N -1 0 353.404 -0.579 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(CC=C(Cl)Cl)C[C@H]1O ZINC001078084470 837442534 /nfs/dbraw/zinc/44/25/34/837442534.db2.gz STAIZZBFLPBMAE-RNFRBKRXSA-N -1 0 352.178 -0.830 20 0 FBADRM Cc1nsc(C)c1CN1C[C@@H](O)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001078084508 837442738 /nfs/dbraw/zinc/44/27/38/837442738.db2.gz VRNOAXQGLCLRMZ-GHMZBOCLSA-N -1 0 368.419 -0.876 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(C/C(Cl)=C/Cl)C[C@H]1O ZINC001078084567 837442838 /nfs/dbraw/zinc/44/28/38/837442838.db2.gz YKQTZJJYRNWJNX-DSLFNIEKSA-N -1 0 352.178 -0.830 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(C/C(Cl)=C\Cl)C[C@H]1O ZINC001078084568 837442642 /nfs/dbraw/zinc/44/26/42/837442642.db2.gz YKQTZJJYRNWJNX-JEJJVFJASA-N -1 0 352.178 -0.830 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2cccc(F)c2)C[C@H]1O ZINC001078084600 837442758 /nfs/dbraw/zinc/44/27/58/837442758.db2.gz ZRXWRXOOQUNJNB-VXGBXAGGSA-N -1 0 351.338 -0.810 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2ccccc2F)C[C@H]1O ZINC001078084602 837442435 /nfs/dbraw/zinc/44/24/35/837442435.db2.gz ZSUTVUBUOSAAGX-VXGBXAGGSA-N -1 0 351.338 -0.810 20 0 FBADRM CCc1nc(CN2C[C@@H](O)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)cs1 ZINC001078085954 837441575 /nfs/dbraw/zinc/44/15/75/837441575.db2.gz IYMMIMDUPQPHSG-NXEZZACHSA-N -1 0 368.419 -0.930 20 0 FBADRM Cc1c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c(Cl)nn1C ZINC001078089168 837442384 /nfs/dbraw/zinc/44/23/84/837442384.db2.gz NZARQZBDBPHYKM-HTQZYQBOSA-N -1 0 355.786 -0.819 20 0 FBADRM COCc1nc(C)c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)s1 ZINC001078089823 837443925 /nfs/dbraw/zinc/44/39/25/837443925.db2.gz WSRCMPGZXSGDIN-RKDXNWHRSA-N -1 0 368.419 -0.603 20 0 FBADRM O=C(Cc1csc2nccn12)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001078185188 837469130 /nfs/dbraw/zinc/46/91/30/837469130.db2.gz USYIJOTUNPBKIO-NXEZZACHSA-N -1 0 363.403 -0.877 20 0 FBADRM CCn1cc(Cl)cc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001078189265 837470337 /nfs/dbraw/zinc/47/03/37/837470337.db2.gz HYPUGMQHKIXXNE-MWLCHTKSSA-N -1 0 354.798 -0.040 20 0 FBADRM Cc1nn(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c(C)c1Cl ZINC001078190332 837471768 /nfs/dbraw/zinc/47/17/68/837471768.db2.gz YXTCQFCQZVQZFJ-NXEZZACHSA-N -1 0 369.813 -0.661 20 0 FBADRM CCn1nc(C)c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1Cl ZINC001078200896 837481879 /nfs/dbraw/zinc/48/18/79/837481879.db2.gz XJVVQRZGGTZYMR-RKDXNWHRSA-N -1 0 369.813 -0.336 20 0 FBADRM COc1ncc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)cc1Cl ZINC001078219460 837479564 /nfs/dbraw/zinc/47/95/64/837479564.db2.gz ATOKVWZLHLMABF-NXEZZACHSA-N -1 0 368.781 -0.458 20 0 FBADRM CCc1nc(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)cs1 ZINC001078227145 837483147 /nfs/dbraw/zinc/48/31/47/837483147.db2.gz LCOHAEGWHFJTJO-NXEZZACHSA-N -1 0 352.420 -0.567 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C12CC(C(F)(F)F)(C1)C2 ZINC001078235313 837487611 /nfs/dbraw/zinc/48/76/11/837487611.db2.gz NJLQLBLMPZEXIH-WBIOTGRQSA-N -1 0 361.324 -0.096 20 0 FBADRM COCc1nc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)cs1 ZINC001078264852 837495956 /nfs/dbraw/zinc/49/59/56/837495956.db2.gz RUJQQSNOMYTBFC-VXNVDRBHSA-N -1 0 354.392 -0.912 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1csc(C2CC2)n1 ZINC001078267818 837497505 /nfs/dbraw/zinc/49/75/05/837497505.db2.gz DUUYBRJWMDSVTQ-PSASIEDQSA-N -1 0 350.404 -0.181 20 0 FBADRM COCc1ncc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)s1 ZINC001078283253 837498785 /nfs/dbraw/zinc/49/87/85/837498785.db2.gz MHWGGDIZDQIRAH-HTQZYQBOSA-N -1 0 354.392 -0.912 20 0 FBADRM COC1CCC(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)CC1 ZINC001078285984 837500184 /nfs/dbraw/zinc/50/01/84/837500184.db2.gz PTJFFBWWOQPUBX-FIYWTHMPSA-N -1 0 353.423 -0.233 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1[O-] ZINC001078456259 837507830 /nfs/dbraw/zinc/50/78/30/837507830.db2.gz NIFGUXNMXNDTGD-UJNFCWOMSA-N -1 0 353.379 -0.919 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)c1[O-] ZINC001078483614 837511624 /nfs/dbraw/zinc/51/16/24/837511624.db2.gz ANEVYXVLXNOUOB-INTQDDNPSA-N -1 0 351.407 -0.227 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)c1[O-] ZINC001078488157 837512368 /nfs/dbraw/zinc/51/23/68/837512368.db2.gz QZYJLLIBGRPDIO-GDPRMGEGSA-N -1 0 351.407 -0.050 20 0 FBADRM C[C@@H](CCNC(=O)[C@H]1OCC[C@H]1C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001078520063 837514828 /nfs/dbraw/zinc/51/48/28/837514828.db2.gz HXYIGLRHSUJKDJ-SCVCMEIPSA-N -1 0 352.391 -0.465 20 0 FBADRM C[C@@H](CCNC(=O)[C@H]1CC[C@@H](C)O1)NC(=O)c1cnc([O-])n(C)c1=O ZINC001078662569 837515908 /nfs/dbraw/zinc/51/59/08/837515908.db2.gz ZLMWJFGANUGINO-HOSYDEDBSA-N -1 0 352.391 -0.322 20 0 FBADRM C[C@@H](CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001078664379 837515744 /nfs/dbraw/zinc/51/57/44/837515744.db2.gz KIXZXAKCZJCKHG-JLIMGVALSA-N -1 0 351.363 -0.525 20 0 FBADRM C[C@@H](CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001078664661 837515886 /nfs/dbraw/zinc/51/58/86/837515886.db2.gz XYOCVZQEDQHRNO-ZDCRXTMVSA-N -1 0 353.379 -0.732 20 0 FBADRM COCC(=O)N1CC2(CCN(Cc3n[nH]c(=O)[n-]3)CC2)[C@H]2COC[C@H]21 ZINC001079212288 837871661 /nfs/dbraw/zinc/87/16/61/837871661.db2.gz SKBXWMYFAUHZDG-NWDGAFQWSA-N -1 0 351.407 -0.404 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)N3CCOCC3)C[C@H]2C)c1[O-] ZINC001079579391 837891474 /nfs/dbraw/zinc/89/14/74/837891474.db2.gz GRBYQPADEQNDGF-ZYHUDNBSSA-N -1 0 351.407 -0.667 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C[C@@H]3CCS(=O)(=O)C3)C[C@H]2C)c1[O-] ZINC001079579447 837891988 /nfs/dbraw/zinc/89/19/88/837891988.db2.gz JEMLKSQQOUMMIY-ADEWGFFLSA-N -1 0 356.448 -0.091 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C[C@H]3CCS(=O)(=O)C3)C[C@H]2C)c1[O-] ZINC001079579448 837890831 /nfs/dbraw/zinc/89/08/31/837890831.db2.gz JEMLKSQQOUMMIY-YUSALJHKSA-N -1 0 356.448 -0.091 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CCN3CCCS3(=O)=O)C[C@H]2C)c1[O-] ZINC001079579584 837891321 /nfs/dbraw/zinc/89/13/21/837891321.db2.gz PHOHCRQZBVZSHS-ZYHUDNBSSA-N -1 0 371.463 -0.491 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)Nc3nncs3)C[C@H]2C)c1[O-] ZINC001079579668 837892041 /nfs/dbraw/zinc/89/20/41/837892041.db2.gz SPKMVPZHBJAFNC-VXNVDRBHSA-N -1 0 365.419 -0.036 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1coc(S(C)(=O)=O)c1 ZINC001079732050 837903766 /nfs/dbraw/zinc/90/37/66/837903766.db2.gz VGYAKRMXEXJICY-PSASIEDQSA-N -1 0 369.403 -0.243 20 0 FBADRM CC(C)N1C[C@@H](C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)CC1=O ZINC001079797063 837909084 /nfs/dbraw/zinc/90/90/84/837909084.db2.gz XOWXCAFQXDREOW-GRYCIOLGSA-N -1 0 350.423 -0.296 20 0 FBADRM CC(C)N1C[C@H](C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)CC1=O ZINC001079797064 837908784 /nfs/dbraw/zinc/90/87/84/837908784.db2.gz XOWXCAFQXDREOW-IJLUTSLNSA-N -1 0 350.423 -0.296 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H]1CCCCS1(=O)=O ZINC001079845103 837914163 /nfs/dbraw/zinc/91/41/63/837914163.db2.gz MXBIKRMZIFKVOZ-GMTAPVOTSA-N -1 0 357.436 -0.586 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H]1CCCCS1(=O)=O ZINC001079845104 837914027 /nfs/dbraw/zinc/91/40/27/837914027.db2.gz MXBIKRMZIFKVOZ-MXWKQRLJSA-N -1 0 357.436 -0.586 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001079957123 837921751 /nfs/dbraw/zinc/92/17/51/837921751.db2.gz MHYYBHVNSLGEIM-MWLCHTKSSA-N -1 0 369.447 -0.728 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1coc(S(N)(=O)=O)c1 ZINC001079980477 838036046 /nfs/dbraw/zinc/03/60/46/838036046.db2.gz LRIWYAHZDXBKFX-VXNVDRBHSA-N -1 0 370.391 -0.999 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C1CCC(C(N)=O)CC1 ZINC001080016123 838037545 /nfs/dbraw/zinc/03/75/45/838037545.db2.gz OBALIPKIBJKCIE-HBIQZDMRSA-N -1 0 350.423 -0.262 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001080035903 838039780 /nfs/dbraw/zinc/03/97/80/838039780.db2.gz FSHLIPJGJXHEOC-HTQZYQBOSA-N -1 0 370.391 -0.999 20 0 FBADRM C[C@@H](C(=O)NC1CC1)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001080049305 838038667 /nfs/dbraw/zinc/03/86/67/838038667.db2.gz FLNXIZQXUGCFDI-KHQFGBGNSA-N -1 0 350.379 -1.000 20 0 FBADRM C[C@H](C(=O)NC1CC1)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001080049306 838039825 /nfs/dbraw/zinc/03/98/25/838039825.db2.gz FLNXIZQXUGCFDI-NQMVMOMDSA-N -1 0 350.379 -1.000 20 0 FBADRM COc1nscc1CN1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001080049555 838040839 /nfs/dbraw/zinc/04/08/39/838040839.db2.gz KHPXTGYLEORBEY-VXNVDRBHSA-N -1 0 366.403 -0.002 20 0 FBADRM Cc1nnc(CN2C[C@@H](C)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)s1 ZINC001080049665 838041501 /nfs/dbraw/zinc/04/15/01/838041501.db2.gz LTBJVOABUBESMJ-HTRCEHHLSA-N -1 0 351.392 -0.307 20 0 FBADRM C[C@@H]1CN(Cc2nn(C)cc2Cl)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001080050714 838040459 /nfs/dbraw/zinc/04/04/59/838040459.db2.gz DVLJFIUMEUUTNL-VXNVDRBHSA-N -1 0 367.797 -0.080 20 0 FBADRM COc1cc(CN2C[C@@H](C)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)sn1 ZINC001080050829 838041298 /nfs/dbraw/zinc/04/12/98/838041298.db2.gz GPDDJFZSBQHMDD-VXNVDRBHSA-N -1 0 366.403 -0.002 20 0 FBADRM C[C@H](c1csnn1)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001080051040 838041673 /nfs/dbraw/zinc/04/16/73/838041673.db2.gz KXTMUKCMSJMYNG-BWZBUEFSSA-N -1 0 351.392 -0.054 20 0 FBADRM C[C@@H](c1csnn1)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001080051041 838041420 /nfs/dbraw/zinc/04/14/20/838041420.db2.gz KXTMUKCMSJMYNG-GJMOJQLCSA-N -1 0 351.392 -0.054 20 0 FBADRM C[C@@H]1CN(Cc2ncc(Cl)n2C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001080051132 838041135 /nfs/dbraw/zinc/04/11/35/838041135.db2.gz NCJLUSIESUFRBL-HTQZYQBOSA-N -1 0 367.797 -0.080 20 0 FBADRM COc1cc(CN2C[C@@H](C)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)on1 ZINC001080051572 838040503 /nfs/dbraw/zinc/04/05/03/838040503.db2.gz WFWCVDXDBUPJPT-VXNVDRBHSA-N -1 0 350.335 -0.470 20 0 FBADRM CCc1nnc(CN2C[C@@H](C)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)s1 ZINC001080051574 838041412 /nfs/dbraw/zinc/04/14/12/838041412.db2.gz WSOFFSWJOORLSV-HTQZYQBOSA-N -1 0 365.419 -0.053 20 0 FBADRM Cc1nnsc1CN1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001080051727 838040751 /nfs/dbraw/zinc/04/07/51/838040751.db2.gz ZNJKPLBMDVIDIC-HTRCEHHLSA-N -1 0 351.392 -0.307 20 0 FBADRM CNC(=O)CN1C[C@@H](C)[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1 ZINC001080060117 838040563 /nfs/dbraw/zinc/04/05/63/838040563.db2.gz JWKSDFZOJRBYDK-TZMCWYRMSA-N -1 0 351.451 -0.443 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H]2CN([C@@H](C)C(N)=O)C[C@H]2C)cc1=O ZINC001080061637 838042779 /nfs/dbraw/zinc/04/27/79/838042779.db2.gz DOOUIHIMKCNQTF-MBNYWOFBSA-N -1 0 351.451 -0.315 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H]2CN([C@H](C)C(N)=O)C[C@H]2C)cc1=O ZINC001080061638 838042193 /nfs/dbraw/zinc/04/21/93/838042193.db2.gz DOOUIHIMKCNQTF-YRGRVCCFSA-N -1 0 351.451 -0.315 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001080072839 838043478 /nfs/dbraw/zinc/04/34/78/838043478.db2.gz SPCMDDXPTREWJQ-GMTAPVOTSA-N -1 0 357.436 -0.728 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001080072840 838043736 /nfs/dbraw/zinc/04/37/36/838043736.db2.gz SPCMDDXPTREWJQ-OUAUKWLOSA-N -1 0 357.436 -0.728 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001080075781 838044813 /nfs/dbraw/zinc/04/48/13/838044813.db2.gz MEMSXQVGMWORKB-GMTAPVOTSA-N -1 0 351.411 -0.763 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001080075782 838045140 /nfs/dbraw/zinc/04/51/40/838045140.db2.gz MEMSXQVGMWORKB-OUAUKWLOSA-N -1 0 351.411 -0.763 20 0 FBADRM CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)C1 ZINC001080077928 838044857 /nfs/dbraw/zinc/04/48/57/838044857.db2.gz YJPIKAQEBFEGRC-KGYLQXTDSA-N -1 0 350.423 -0.295 20 0 FBADRM CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)C1 ZINC001080077929 838045872 /nfs/dbraw/zinc/04/58/72/838045872.db2.gz YJPIKAQEBFEGRC-RAIGVLPGSA-N -1 0 350.423 -0.295 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001080180801 838050732 /nfs/dbraw/zinc/05/07/32/838050732.db2.gz YAYRMHOTZUKQCH-OIRVYTLQSA-N -1 0 351.407 -0.502 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C[C@H]1CCCS1(=O)=O ZINC001080197874 838052645 /nfs/dbraw/zinc/05/26/45/838052645.db2.gz QCUUZHYAOYZCJX-GMTAPVOTSA-N -1 0 357.436 -0.586 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C[C@@H]1CCCS1(=O)=O ZINC001080197875 838052193 /nfs/dbraw/zinc/05/21/93/838052193.db2.gz QCUUZHYAOYZCJX-OUAUKWLOSA-N -1 0 357.436 -0.586 20 0 FBADRM CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001080200376 838054703 /nfs/dbraw/zinc/05/47/03/838054703.db2.gz DZNSCQUHQGSEOV-MWLCHTKSSA-N -1 0 353.379 -0.684 20 0 FBADRM CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)[C@H]2OCC[C@H]2C)C1 ZINC001080200723 838054298 /nfs/dbraw/zinc/05/42/98/838054298.db2.gz KVFSGKSXLTWCBS-SKDRFNHKSA-N -1 0 353.379 -0.826 20 0 FBADRM C[C@@H]1CN(Cc2nncs2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC001080248676 838056256 /nfs/dbraw/zinc/05/62/56/838056256.db2.gz DQENCEXIKOEWLU-PSASIEDQSA-N -1 0 350.404 -0.412 20 0 FBADRM C[C@@H]1CN(Cc2cnsn2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC001080248755 838056201 /nfs/dbraw/zinc/05/62/01/838056201.db2.gz HUNIONOPFFMHBX-LDYMZIIASA-N -1 0 350.404 -0.412 20 0 FBADRM Cc1nnc(CN2C[C@@H](C)[C@H](NC(=O)c3cnc([O-])n(C)c3=O)C2)s1 ZINC001080248967 838055945 /nfs/dbraw/zinc/05/59/45/838055945.db2.gz RLPJMEJYOSYLDU-LDYMZIIASA-N -1 0 364.431 -0.104 20 0 FBADRM Cc1nnsc1CN1C[C@@H](C)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001080248979 838055284 /nfs/dbraw/zinc/05/52/84/838055284.db2.gz SHRMEVBGDHOQOX-LDYMZIIASA-N -1 0 364.431 -0.104 20 0 FBADRM C[C@@H]1CN(Cc2cnns2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC001080248985 838056770 /nfs/dbraw/zinc/05/67/70/838056770.db2.gz SMEUSPHYZPAMMH-LDYMZIIASA-N -1 0 350.404 -0.412 20 0 FBADRM C[C@@H]1CN(Cc2csnn2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC001080249925 838055230 /nfs/dbraw/zinc/05/52/30/838055230.db2.gz JBMDTMZABUETLY-LDYMZIIASA-N -1 0 350.404 -0.412 20 0 FBADRM CC(C)N1C(=O)CC[C@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001080320944 838060625 /nfs/dbraw/zinc/06/06/25/838060625.db2.gz SOOIHACEHTWEHG-UTUOFQBUSA-N -1 0 350.423 -0.154 20 0 FBADRM CC(C)N1CCO[C@@H](C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)C1 ZINC001080325192 838063282 /nfs/dbraw/zinc/06/32/82/838063282.db2.gz VTWRYISSJFAGTR-JHJVBQTASA-N -1 0 352.439 -0.444 20 0 FBADRM CC(C)N1CCO[C@H](C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)C1 ZINC001080325193 838062344 /nfs/dbraw/zinc/06/23/44/838062344.db2.gz VTWRYISSJFAGTR-UPJWGTAASA-N -1 0 352.439 -0.444 20 0 FBADRM CCCN1C[C@@H](C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)CC1=O ZINC001080532109 838075539 /nfs/dbraw/zinc/07/55/39/838075539.db2.gz XBNRKCIKCIMGOS-GRYCIOLGSA-N -1 0 350.423 -0.295 20 0 FBADRM CCCN1C[C@H](C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)CC1=O ZINC001080532110 838076495 /nfs/dbraw/zinc/07/64/95/838076495.db2.gz XBNRKCIKCIMGOS-IJLUTSLNSA-N -1 0 350.423 -0.295 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccc(S(C)(=O)=O)o1 ZINC001080544884 838073869 /nfs/dbraw/zinc/07/38/69/838073869.db2.gz FSETTXKOIYXQDG-RKDXNWHRSA-N -1 0 369.403 -0.243 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C1CCS(=O)(=O)CC1 ZINC001080546233 838076556 /nfs/dbraw/zinc/07/65/56/838076556.db2.gz NBTMOHZWGYOECL-MWLCHTKSSA-N -1 0 357.436 -0.728 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001080548143 838077847 /nfs/dbraw/zinc/07/78/47/838077847.db2.gz MMGDTBMOFZFQPQ-GMTAPVOTSA-N -1 0 357.436 -0.728 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001080548144 838077870 /nfs/dbraw/zinc/07/78/70/838077870.db2.gz MMGDTBMOFZFQPQ-OUAUKWLOSA-N -1 0 357.436 -0.728 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C(=O)N1CCC(C)CC1 ZINC001080567782 838080243 /nfs/dbraw/zinc/08/02/43/838080243.db2.gz AXKZVEYYVZFQLZ-VXGBXAGGSA-N -1 0 350.423 -0.295 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001080567982 838080182 /nfs/dbraw/zinc/08/01/82/838080182.db2.gz JNXDSUMPBOQFAX-IJLUTSLNSA-N -1 0 350.423 -0.295 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001080567983 838079307 /nfs/dbraw/zinc/07/93/07/838079307.db2.gz JNXDSUMPBOQFAX-QJPTWQEYSA-N -1 0 350.423 -0.295 20 0 FBADRM C[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1NC(=O)c1c[n-]n2c1nccc2=O ZINC001080575381 838081848 /nfs/dbraw/zinc/08/18/48/838081848.db2.gz SGECNIKURXVUER-ZYHUDNBSSA-N -1 0 367.431 -0.883 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001080600625 838086653 /nfs/dbraw/zinc/08/66/53/838086653.db2.gz KXZGAYDVSLTXFY-GPCCPHFNSA-N -1 0 357.436 -0.586 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@]1(C)CCCS1(=O)=O ZINC001080600626 838086837 /nfs/dbraw/zinc/08/68/37/838086837.db2.gz KXZGAYDVSLTXFY-RULNRJAQSA-N -1 0 357.436 -0.586 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccc(C(N)=O)s1 ZINC001080608720 838084430 /nfs/dbraw/zinc/08/44/30/838084430.db2.gz BZRHDVWJRQRGNT-HTQZYQBOSA-N -1 0 350.404 -0.079 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C(C)(C)N1CCOCC1 ZINC001080624374 838086868 /nfs/dbraw/zinc/08/68/68/838086868.db2.gz YLYWBYGOXWUEJA-VXGBXAGGSA-N -1 0 352.439 -0.442 20 0 FBADRM CCC(=O)N1CC[C@H](C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)C1 ZINC001080735000 838094473 /nfs/dbraw/zinc/09/44/73/838094473.db2.gz SCOGCIHWWKTMHT-GRYCIOLGSA-N -1 0 350.423 -0.295 20 0 FBADRM CCC(=O)N1CC[C@@H](C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)C1 ZINC001080735001 838093795 /nfs/dbraw/zinc/09/37/95/838093795.db2.gz SCOGCIHWWKTMHT-IJLUTSLNSA-N -1 0 350.423 -0.295 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001080736637 838094106 /nfs/dbraw/zinc/09/41/06/838094106.db2.gz UTGFDRCEUIIOMO-GRYCIOLGSA-N -1 0 371.463 -0.338 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001080736638 838094893 /nfs/dbraw/zinc/09/48/93/838094893.db2.gz UTGFDRCEUIIOMO-IJLUTSLNSA-N -1 0 371.463 -0.338 20 0 FBADRM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)C1 ZINC001080738390 838094815 /nfs/dbraw/zinc/09/48/15/838094815.db2.gz GPJZELQVNJEOIP-NSODJVPESA-N -1 0 350.423 -0.295 20 0 FBADRM CC(=O)N1CC[C@](C)(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)C1 ZINC001080738391 838093840 /nfs/dbraw/zinc/09/38/40/838093840.db2.gz GPJZELQVNJEOIP-SIVJFFJCSA-N -1 0 350.423 -0.295 20 0 FBADRM CC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001080738527 838094374 /nfs/dbraw/zinc/09/43/74/838094374.db2.gz JYHQRQXOISYHCG-GRYCIOLGSA-N -1 0 350.423 -0.152 20 0 FBADRM CC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001080738528 838094253 /nfs/dbraw/zinc/09/42/53/838094253.db2.gz JYHQRQXOISYHCG-IJLUTSLNSA-N -1 0 350.423 -0.152 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H]1CCCCN1C(N)=O ZINC001080757280 838097646 /nfs/dbraw/zinc/09/76/46/838097646.db2.gz RWHLVGMWKDQORV-GMTAPVOTSA-N -1 0 351.411 -0.620 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001080757281 838097739 /nfs/dbraw/zinc/09/77/39/838097739.db2.gz RWHLVGMWKDQORV-MXWKQRLJSA-N -1 0 351.411 -0.620 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H]1CCCCN(C)C1=O ZINC001080770086 838098567 /nfs/dbraw/zinc/09/85/67/838098567.db2.gz VCAQQCOKPHLEJL-GRYCIOLGSA-N -1 0 350.423 -0.295 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H]1CCCCN(C)C1=O ZINC001080770087 838098732 /nfs/dbraw/zinc/09/87/32/838098732.db2.gz VCAQQCOKPHLEJL-IJLUTSLNSA-N -1 0 350.423 -0.295 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC001080848955 838102793 /nfs/dbraw/zinc/10/27/93/838102793.db2.gz FTLUAANTNNWPLX-GRYCIOLGSA-N -1 0 350.423 -0.104 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C[C@H]1CCCCC(=O)N1 ZINC001080848956 838102860 /nfs/dbraw/zinc/10/28/60/838102860.db2.gz FTLUAANTNNWPLX-IJLUTSLNSA-N -1 0 350.423 -0.104 20 0 FBADRM CCc1cnc(CN2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC001080852477 838102766 /nfs/dbraw/zinc/10/27/66/838102766.db2.gz GCGIPNBVPBUGQO-MWLCHTKSSA-N -1 0 350.379 -0.124 20 0 FBADRM CCc1nc(CN2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)no1 ZINC001080852706 838103112 /nfs/dbraw/zinc/10/31/12/838103112.db2.gz QNLVZHADYLQMQT-RKDXNWHRSA-N -1 0 351.367 -0.729 20 0 FBADRM Cc1nnc(CN2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)s1 ZINC001080852723 838102923 /nfs/dbraw/zinc/10/29/23/838102923.db2.gz RGLUNIXPCFKWJW-VXNVDRBHSA-N -1 0 353.408 -0.514 20 0 FBADRM Cc1nc(CN2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)oc1C ZINC001080852878 838102907 /nfs/dbraw/zinc/10/29/07/838102907.db2.gz ZKVPHSZYKXENOS-LDYMZIIASA-N -1 0 350.379 -0.069 20 0 FBADRM C[C@@H](c1csnn1)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001080853518 838103018 /nfs/dbraw/zinc/10/30/18/838103018.db2.gz AVWHGLRYTXLTMR-HRDYMLBCSA-N -1 0 353.408 -0.262 20 0 FBADRM C[C@H](c1csnn1)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001080853519 838103067 /nfs/dbraw/zinc/10/30/67/838103067.db2.gz AVWHGLRYTXLTMR-IWSPIJDZSA-N -1 0 353.408 -0.262 20 0 FBADRM CCc1nnc(CN2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)s1 ZINC001080853537 838103271 /nfs/dbraw/zinc/10/32/71/838103271.db2.gz BUNLHMQNIICZQL-RKDXNWHRSA-N -1 0 367.435 -0.260 20 0 FBADRM COc1cc(CN2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)sn1 ZINC001080853558 838102881 /nfs/dbraw/zinc/10/28/81/838102881.db2.gz DANOTGGDFFRLKF-PSASIEDQSA-N -1 0 368.419 -0.209 20 0 FBADRM CCc1nnc(CN2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC001080853565 838102783 /nfs/dbraw/zinc/10/27/83/838102783.db2.gz DJKVMAFIALJKLC-RKDXNWHRSA-N -1 0 351.367 -0.729 20 0 FBADRM Cc1nc([C@H](C)N2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)no1 ZINC001080853640 838102878 /nfs/dbraw/zinc/10/28/78/838102878.db2.gz IBKXGPXHRCZZBW-KHQFGBGNSA-N -1 0 351.367 -0.422 20 0 FBADRM Cc1nc([C@@H](C)N2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)no1 ZINC001080853641 838104329 /nfs/dbraw/zinc/10/43/29/838104329.db2.gz IBKXGPXHRCZZBW-NQMVMOMDSA-N -1 0 351.367 -0.422 20 0 FBADRM C[C@@H]1CN(Cc2nn(C)cc2Cl)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001080853645 838104325 /nfs/dbraw/zinc/10/43/25/838104325.db2.gz IFIBUSDWQRGQGF-PSASIEDQSA-N -1 0 369.813 -0.287 20 0 FBADRM Cc1nnsc1CN1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001080853646 838104003 /nfs/dbraw/zinc/10/40/03/838104003.db2.gz IGRHFLSQAUYOEK-VXNVDRBHSA-N -1 0 353.408 -0.514 20 0 FBADRM CCc1noc(CN2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001080853679 838104508 /nfs/dbraw/zinc/10/45/08/838104508.db2.gz KTHZXIVDEPNQKH-RKDXNWHRSA-N -1 0 351.367 -0.729 20 0 FBADRM C[C@@H]1CN(Cc2ccc(F)cn2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001080853724 838104097 /nfs/dbraw/zinc/10/40/97/838104097.db2.gz NGPPNYSPOZNIQT-BXKDBHETSA-N -1 0 350.354 -0.140 20 0 FBADRM Cc1nnc([C@H](C)N2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)[nH]1 ZINC001080853770 838104234 /nfs/dbraw/zinc/10/42/34/838104234.db2.gz PGOXBJHGZIAVLH-KHQFGBGNSA-N -1 0 350.383 -0.686 20 0 FBADRM Cc1nnc([C@@H](C)N2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)[nH]1 ZINC001080853771 838104453 /nfs/dbraw/zinc/10/44/53/838104453.db2.gz PGOXBJHGZIAVLH-NQMVMOMDSA-N -1 0 350.383 -0.686 20 0 FBADRM Cc1nc(CN2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)c(C)o1 ZINC001080853775 838104110 /nfs/dbraw/zinc/10/41/10/838104110.db2.gz PJPBKTCSPAHSPQ-LDYMZIIASA-N -1 0 350.379 -0.069 20 0 FBADRM Cc1nnc([C@H](C)N2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC001080853793 838104637 /nfs/dbraw/zinc/10/46/37/838104637.db2.gz PYQCHQYLOMVHOX-KHQFGBGNSA-N -1 0 351.367 -0.422 20 0 FBADRM Cc1nnc([C@@H](C)N2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC001080853794 838103904 /nfs/dbraw/zinc/10/39/04/838103904.db2.gz PYQCHQYLOMVHOX-NQMVMOMDSA-N -1 0 351.367 -0.422 20 0 FBADRM C[C@@H]1CN(Cc2cncc(F)c2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001080853823 838104535 /nfs/dbraw/zinc/10/45/35/838104535.db2.gz ROKKXITVKGWSAV-BXKDBHETSA-N -1 0 350.354 -0.140 20 0 FBADRM COc1cc(CN2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)on1 ZINC001080853872 838104022 /nfs/dbraw/zinc/10/40/22/838104022.db2.gz URPYZVUTQONEOW-PSASIEDQSA-N -1 0 352.351 -0.677 20 0 FBADRM COc1nscc1CN1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001080853873 838104642 /nfs/dbraw/zinc/10/46/42/838104642.db2.gz USNDCRHUUMLDRS-PSASIEDQSA-N -1 0 368.419 -0.209 20 0 FBADRM C[C@@H]1CN(Cc2ncc(Cl)n2C)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001080853884 838104316 /nfs/dbraw/zinc/10/43/16/838104316.db2.gz VBPIFCMVJVQVNN-RKDXNWHRSA-N -1 0 369.813 -0.287 20 0 FBADRM CCc1nocc1CN1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001080853915 838104476 /nfs/dbraw/zinc/10/44/76/838104476.db2.gz WCTSCCLMKKLQJH-BXKDBHETSA-N -1 0 350.379 -0.124 20 0 FBADRM C[C@@H](c1nncn1C)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001080853929 838104593 /nfs/dbraw/zinc/10/45/93/838104593.db2.gz WSPIAYWFKAMANA-KXUCPTDWSA-N -1 0 350.383 -0.985 20 0 FBADRM C[C@H](c1nncn1C)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001080853930 838103957 /nfs/dbraw/zinc/10/39/57/838103957.db2.gz WSPIAYWFKAMANA-OPRDCNLKSA-N -1 0 350.383 -0.985 20 0 FBADRM Cc1noc([C@H](C)N2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001080854699 838104335 /nfs/dbraw/zinc/10/43/35/838104335.db2.gz BPYHRDCBOOFVSE-KHQFGBGNSA-N -1 0 351.367 -0.422 20 0 FBADRM Cc1noc([C@@H](C)N2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001080854700 838104608 /nfs/dbraw/zinc/10/46/08/838104608.db2.gz BPYHRDCBOOFVSE-NQMVMOMDSA-N -1 0 351.367 -0.422 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CN1CCCCCC1=O ZINC001080905117 838112780 /nfs/dbraw/zinc/11/27/80/838112780.db2.gz BCQUPIBDZBDVFL-VXGBXAGGSA-N -1 0 350.423 -0.151 20 0 FBADRM CC(=O)N1CCC(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)CC1 ZINC001080915665 838115668 /nfs/dbraw/zinc/11/56/68/838115668.db2.gz IFJJCIQMWBPISX-ZWNOBZJWSA-N -1 0 350.423 -0.295 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C1CCN(C(N)=O)CC1 ZINC001080916845 838115917 /nfs/dbraw/zinc/11/59/17/838115917.db2.gz JPRIIFQGJQMIQV-MWLCHTKSSA-N -1 0 351.411 -0.763 20 0 FBADRM Cc1csc(=O)n1CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001080926957 838117332 /nfs/dbraw/zinc/11/73/32/838117332.db2.gz OZPXXBHWKMPSFT-PSASIEDQSA-N -1 0 352.420 -0.321 20 0 FBADRM C[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C)N1CCCCC1=O ZINC001080987221 838130427 /nfs/dbraw/zinc/13/04/27/838130427.db2.gz SDJLZUAQXICDMN-GRYCIOLGSA-N -1 0 350.423 -0.152 20 0 FBADRM C[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C)N1CCCCC1=O ZINC001080987222 838130249 /nfs/dbraw/zinc/13/02/49/838130249.db2.gz SDJLZUAQXICDMN-IJLUTSLNSA-N -1 0 350.423 -0.152 20 0 FBADRM Cc1sc(=O)n(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)c1C ZINC001080998485 838132004 /nfs/dbraw/zinc/13/20/04/838132004.db2.gz AAPLUBOAUIQQEV-LDYMZIIASA-N -1 0 366.447 -0.013 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cc(C(N)=O)cs1 ZINC001081006709 838129091 /nfs/dbraw/zinc/12/90/91/838129091.db2.gz LVRAFLSVCNLKPH-VXNVDRBHSA-N -1 0 350.404 -0.079 20 0 FBADRM CCc1noc(CN2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@H](OC)C2)n1 ZINC001081540553 838168078 /nfs/dbraw/zinc/16/80/78/838168078.db2.gz HVGXXZWPEXQAMF-NXEZZACHSA-N -1 0 350.379 -0.002 20 0 FBADRM CO[C@@H]1CN([C@@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC001081540640 838168295 /nfs/dbraw/zinc/16/82/95/838168295.db2.gz LBPOQWSYSKXXKN-MVWJERBFSA-N -1 0 351.407 -0.480 20 0 FBADRM CO[C@@H]1CN([C@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC001081540641 838168195 /nfs/dbraw/zinc/16/81/95/838168195.db2.gz LBPOQWSYSKXXKN-YUSALJHKSA-N -1 0 351.407 -0.480 20 0 FBADRM CCN1CC[C@H](N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@H](OC)C2)C1=O ZINC001081540746 838168309 /nfs/dbraw/zinc/16/83/09/838168309.db2.gz PYTKUOMOTLFTMQ-GRYCIOLGSA-N -1 0 351.407 -0.526 20 0 FBADRM CCN1CC[C@@H](N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@H](OC)C2)C1=O ZINC001081540747 838167609 /nfs/dbraw/zinc/16/76/09/838167609.db2.gz PYTKUOMOTLFTMQ-IJLUTSLNSA-N -1 0 351.407 -0.526 20 0 FBADRM CO[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC001081540787 838168408 /nfs/dbraw/zinc/16/84/08/838168408.db2.gz RZVYUWAUZQOOQY-VXGBXAGGSA-N -1 0 351.407 -0.525 20 0 FBADRM CO[C@@H]1CN(CCN2CCCC2=O)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC001081540825 838168374 /nfs/dbraw/zinc/16/83/74/838168374.db2.gz SVLARNSXOPBTOD-VXGBXAGGSA-N -1 0 351.407 -0.525 20 0 FBADRM CO[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC001081540833 838167761 /nfs/dbraw/zinc/16/77/61/838167761.db2.gz TUJPCQOKNVWZFI-VXGBXAGGSA-N -1 0 351.407 -0.526 20 0 FBADRM CCc1nnc(CN2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@H](OC)C2)o1 ZINC001081543554 838168305 /nfs/dbraw/zinc/16/83/05/838168305.db2.gz BGWKZKRZTYWLGS-NXEZZACHSA-N -1 0 350.379 -0.002 20 0 FBADRM CCc1nc(CN2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@H](OC)C2)no1 ZINC001081543710 838168330 /nfs/dbraw/zinc/16/83/30/838168330.db2.gz HHILWTQVJDBTAY-NXEZZACHSA-N -1 0 350.379 -0.002 20 0 FBADRM CO[C@@H]1CN([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC001081543730 838167810 /nfs/dbraw/zinc/16/78/10/838167810.db2.gz IDTCZIKCBILEFI-GRYCIOLGSA-N -1 0 351.407 -0.526 20 0 FBADRM CO[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC001081543731 838168099 /nfs/dbraw/zinc/16/80/99/838168099.db2.gz IDTCZIKCBILEFI-IJLUTSLNSA-N -1 0 351.407 -0.526 20 0 FBADRM CO[C@@H]1CN([C@@H](C)c2nnnn2C)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC001081544299 838168356 /nfs/dbraw/zinc/16/83/56/838168356.db2.gz XPQVPTGYTBFSFW-IVZWLZJFSA-N -1 0 350.383 -0.863 20 0 FBADRM CO[C@@H]1CN([C@H](C)c2nnnn2C)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC001081544302 838168322 /nfs/dbraw/zinc/16/83/22/838168322.db2.gz XPQVPTGYTBFSFW-OPRDCNLKSA-N -1 0 350.383 -0.863 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1c(Cl)cnn1C ZINC001081676035 838180622 /nfs/dbraw/zinc/18/06/22/838180622.db2.gz RCWKGUSYPKVKJU-RKDXNWHRSA-N -1 0 355.786 -0.474 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001081683093 838181234 /nfs/dbraw/zinc/18/12/34/838181234.db2.gz ZISIBUJIVJNSJS-SFTQSGBHSA-N -1 0 353.423 -0.113 20 0 FBADRM COc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2OC)sn1 ZINC001081687481 838182874 /nfs/dbraw/zinc/18/28/74/838182874.db2.gz WVGPTWBKFJCVGF-HTQZYQBOSA-N -1 0 354.392 -0.395 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1nn(C)cc1Cl ZINC001081730602 838185279 /nfs/dbraw/zinc/18/52/79/838185279.db2.gz NLWLHTJTYQQECI-RKDXNWHRSA-N -1 0 355.786 -0.474 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccnn1C(F)F ZINC001081733947 838186323 /nfs/dbraw/zinc/18/63/23/838186323.db2.gz DDAZUQCDXDNZAS-VXNVDRBHSA-N -1 0 357.321 -0.269 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccn(C(F)F)n1 ZINC001081736876 838187930 /nfs/dbraw/zinc/18/79/30/838187930.db2.gz ZZVMWMYORUYYEI-RKDXNWHRSA-N -1 0 357.321 -0.269 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1c(F)cncc1F ZINC001081743174 838187622 /nfs/dbraw/zinc/18/76/22/838187622.db2.gz PSFJZVYWUKSCEZ-NXEZZACHSA-N -1 0 354.317 -0.187 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1c(C)[nH]nc1Cl ZINC001081781328 838190495 /nfs/dbraw/zinc/19/04/95/838190495.db2.gz RGGVRELVMMMWCM-HTQZYQBOSA-N -1 0 355.786 -0.176 20 0 FBADRM CCn1nnc(C)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001081789701 838190510 /nfs/dbraw/zinc/19/05/10/838190510.db2.gz GHWRHEGLVXRCNW-NXEZZACHSA-N -1 0 350.383 -0.941 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1snnc1C1CC1 ZINC001081817557 838205095 /nfs/dbraw/zinc/20/50/95/838205095.db2.gz ZGAHLXCHPJPTIV-RKDXNWHRSA-N -1 0 365.419 -0.132 20 0 FBADRM CCOc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2OC)[nH]n1 ZINC001081839295 838213887 /nfs/dbraw/zinc/21/38/87/838213887.db2.gz GLRZDKFSEZZOPO-NXEZZACHSA-N -1 0 351.367 -0.739 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnn(C)c1Cl ZINC001081855442 838217503 /nfs/dbraw/zinc/21/75/03/838217503.db2.gz DUGIXJYPLVKPFU-RKDXNWHRSA-N -1 0 355.786 -0.474 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ncc(F)cc1F ZINC001081856972 838218665 /nfs/dbraw/zinc/21/86/65/838218665.db2.gz SAXIOXHXAKISOQ-NXEZZACHSA-N -1 0 354.317 -0.187 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1ccc(F)cn1 ZINC001081861761 838218687 /nfs/dbraw/zinc/21/86/87/838218687.db2.gz YWDRXTSBOGHCDB-VXGBXAGGSA-N -1 0 350.354 -0.398 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnn(CCF)c1 ZINC001081882510 838211451 /nfs/dbraw/zinc/21/14/51/838211451.db2.gz SYLROVBYPWFGID-GHMZBOCLSA-N -1 0 353.358 -0.695 20 0 FBADRM CCOc1nc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2OC)co1 ZINC001081896987 838230104 /nfs/dbraw/zinc/23/01/04/838230104.db2.gz AXKDORTZZXDLFA-PSASIEDQSA-N -1 0 352.351 -0.474 20 0 FBADRM CO[C@@H]1CN(Cc2cnc(C)s2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899058 838219041 /nfs/dbraw/zinc/21/90/41/838219041.db2.gz CZQFXWDHWZUVMC-NXEZZACHSA-N -1 0 366.403 -0.323 20 0 FBADRM CO[C@@H]1CN(Cc2cc(C)on2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899106 838220394 /nfs/dbraw/zinc/22/03/94/838220394.db2.gz DWZUOUVRLRORRM-NXEZZACHSA-N -1 0 350.335 -0.792 20 0 FBADRM CO[C@@H]1CN(Cc2ccsc2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899219 838220408 /nfs/dbraw/zinc/22/04/08/838220408.db2.gz GSCLPLAUOHNDJM-NXEZZACHSA-N -1 0 351.388 -0.027 20 0 FBADRM CO[C@@H]1CN(CC(F)(F)C(F)F)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899234 838219828 /nfs/dbraw/zinc/21/98/28/838219828.db2.gz HNCDESHZEMRUHS-PHDIDXHHSA-N -1 0 369.275 -0.388 20 0 FBADRM CO[C@@H]1CN(Cc2coc(C)n2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899275 838220343 /nfs/dbraw/zinc/22/03/43/838220343.db2.gz JYXJQNQUUTVTJI-NXEZZACHSA-N -1 0 350.335 -0.792 20 0 FBADRM CO[C@@H]1CN(Cc2ncc(C)o2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899282 838220945 /nfs/dbraw/zinc/22/09/45/838220945.db2.gz KHFPTHGTFTUSGD-RKDXNWHRSA-N -1 0 350.335 -0.792 20 0 FBADRM CO[C@@H]1CN(Cc2conc2C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899284 838220917 /nfs/dbraw/zinc/22/09/17/838220917.db2.gz KKEPMEAKXYUAQN-NXEZZACHSA-N -1 0 350.335 -0.792 20 0 FBADRM CO[C@@H]1CN(Cc2cc(C)no2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899323 838221019 /nfs/dbraw/zinc/22/10/19/838221019.db2.gz MCFODCVUERKKGH-NXEZZACHSA-N -1 0 350.335 -0.792 20 0 FBADRM CO[C@@H]1CN(Cc2cscn2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899325 838220640 /nfs/dbraw/zinc/22/06/40/838220640.db2.gz MINQLOGTJRSJET-RKDXNWHRSA-N -1 0 352.376 -0.632 20 0 FBADRM CO[C@@H]1CN([C@@H](C)c2csnn2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899333 838220370 /nfs/dbraw/zinc/22/03/70/838220370.db2.gz MOZURETYMILYHR-LKEWCRSYSA-N -1 0 367.391 -0.676 20 0 FBADRM CO[C@@H]1CN([C@H](C)c2csnn2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899334 838219927 /nfs/dbraw/zinc/21/99/27/838219927.db2.gz MOZURETYMILYHR-ZXFLCMHBSA-N -1 0 367.391 -0.676 20 0 FBADRM CO[C@@H]1CN(CCc2ccns2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899379 838220135 /nfs/dbraw/zinc/22/01/35/838220135.db2.gz PBQWTVVYAHPVSK-NXEZZACHSA-N -1 0 366.403 -0.589 20 0 FBADRM CO[C@@H]1CN(Cc2cncs2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899384 838220188 /nfs/dbraw/zinc/22/01/88/838220188.db2.gz PESKVWTYVKRKSQ-RKDXNWHRSA-N -1 0 352.376 -0.632 20 0 FBADRM CO[C@@H]1CN(Cc2cc(C)ns2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899398 838220955 /nfs/dbraw/zinc/22/09/55/838220955.db2.gz PXYUKIDOXUYPLU-NXEZZACHSA-N -1 0 366.403 -0.323 20 0 FBADRM CO[C@@H]1CN(Cc2ccns2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899408 838220302 /nfs/dbraw/zinc/22/03/02/838220302.db2.gz QDFODGSHXDNMSC-RKDXNWHRSA-N -1 0 352.376 -0.632 20 0 FBADRM CO[C@@H]1CN(Cc2nccs2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899409 838219981 /nfs/dbraw/zinc/21/99/81/838219981.db2.gz QDHNSBPIGFYZMO-HTQZYQBOSA-N -1 0 352.376 -0.632 20 0 FBADRM CO[C@@H]1CN(Cc2cnoc2C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899436 838220271 /nfs/dbraw/zinc/22/02/71/838220271.db2.gz RUCZVDGZUKPPIR-NXEZZACHSA-N -1 0 350.335 -0.792 20 0 FBADRM CO[C@@H]1CN(CCC(F)(F)F)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899460 838220876 /nfs/dbraw/zinc/22/08/76/838220876.db2.gz SSSHUTQBSRUVDU-RNFRBKRXSA-N -1 0 351.285 -0.336 20 0 FBADRM CO[C@@H]1CN(Cc2nc(C)cs2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899510 838220630 /nfs/dbraw/zinc/22/06/30/838220630.db2.gz VKBODRGNMRCASK-RKDXNWHRSA-N -1 0 366.403 -0.323 20 0 FBADRM CO[C@@H]1CN(Cc2ocnc2C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899542 838219840 /nfs/dbraw/zinc/21/98/40/838219840.db2.gz WXYDZJSEIGVYKP-PSASIEDQSA-N -1 0 350.335 -0.792 20 0 FBADRM CO[C@@H]1CN(Cc2scnc2C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899549 838220219 /nfs/dbraw/zinc/22/02/19/838220219.db2.gz XIAXQJATPUNXAE-RKDXNWHRSA-N -1 0 366.403 -0.323 20 0 FBADRM CO[C@@H]1CN(Cc2nnc(C)s2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899555 838220555 /nfs/dbraw/zinc/22/05/55/838220555.db2.gz XNXNBRZMFVOYRZ-HTQZYQBOSA-N -1 0 367.391 -0.928 20 0 FBADRM CO[C@@H]1CN(Cc2nocc2C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899566 838220902 /nfs/dbraw/zinc/22/09/02/838220902.db2.gz YDHUTGUNILVCHD-NXEZZACHSA-N -1 0 350.335 -0.792 20 0 FBADRM CO[C@@H]1CN(Cc2snnc2C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899577 838220355 /nfs/dbraw/zinc/22/03/55/838220355.db2.gz YNEUXCHOARUNLF-HTQZYQBOSA-N -1 0 367.391 -0.928 20 0 FBADRM CO[C@@H]1CN(Cc2ncc(C)s2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899593 838220076 /nfs/dbraw/zinc/22/00/76/838220076.db2.gz ZJDYDNACSODVFV-RKDXNWHRSA-N -1 0 366.403 -0.323 20 0 FBADRM CO[C@@H]1CN(Cc2cnc(C)o2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899602 838220033 /nfs/dbraw/zinc/22/00/33/838220033.db2.gz ZZMAFRKAQCCIFT-NXEZZACHSA-N -1 0 350.335 -0.792 20 0 FBADRM CO[C@@H]1CN(Cc2csc(C)n2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899669 838219879 /nfs/dbraw/zinc/21/98/79/838219879.db2.gz CXQQLUGCSLRTPP-NXEZZACHSA-N -1 0 366.403 -0.323 20 0 FBADRM CCc1nnsc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001081911128 838222072 /nfs/dbraw/zinc/22/20/72/838222072.db2.gz YGBSORSKHHYURH-RKDXNWHRSA-N -1 0 353.408 -0.447 20 0 FBADRM COCc1ccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2OC)o1 ZINC001081922056 838225135 /nfs/dbraw/zinc/22/51/35/838225135.db2.gz MJLKBAZXSOYGGV-ZYHUDNBSSA-N -1 0 351.363 -0.121 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cc(Cl)n(C)n1 ZINC001081925711 838231631 /nfs/dbraw/zinc/23/16/31/838231631.db2.gz AFMJIQNGTGFUIE-RKDXNWHRSA-N -1 0 355.786 -0.474 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@]12CCC[C@H]1OCC2 ZINC001081935024 838233671 /nfs/dbraw/zinc/23/36/71/838233671.db2.gz WGLRWXQLJLFDQA-QHSOUUPTSA-N -1 0 351.407 -0.215 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnc(Cl)n1C ZINC001081944636 838234074 /nfs/dbraw/zinc/23/40/74/838234074.db2.gz ASSQOGDMIOUJLA-VXNVDRBHSA-N -1 0 355.786 -0.474 20 0 FBADRM CCOc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2OC)on1 ZINC001081952213 838230192 /nfs/dbraw/zinc/23/01/92/838230192.db2.gz ZDWMEZUZBVBTFL-PSASIEDQSA-N -1 0 352.351 -0.474 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001081958446 838236108 /nfs/dbraw/zinc/23/61/08/838236108.db2.gz NLXXZXYZUNVBBY-YCGPCKTQSA-N -1 0 351.407 -0.359 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001081968384 838238335 /nfs/dbraw/zinc/23/83/35/838238335.db2.gz XBWDQXPFKOHVFH-BYNQJWBRSA-N -1 0 351.407 -0.359 20 0 FBADRM CO[C@@H]1CN(CCC(F)(F)F)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC001082015244 838710546 /nfs/dbraw/zinc/71/05/46/838710546.db2.gz KKKXWAXFGKTEGJ-NXEZZACHSA-N -1 0 364.324 -0.133 20 0 FBADRM CO[C@@H]1CN(Cc2cncs2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC001082015306 838711044 /nfs/dbraw/zinc/71/10/44/838711044.db2.gz NYIMHSPGVBVDLI-VXGBXAGGSA-N -1 0 365.415 -0.428 20 0 FBADRM CO[C@@H]1CN(Cc2nccs2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC001082015376 838710712 /nfs/dbraw/zinc/71/07/12/838710712.db2.gz QXCNLABSHSFERN-GHMZBOCLSA-N -1 0 365.415 -0.428 20 0 FBADRM CO[C@@H]1CN(Cc2ccns2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC001082016521 838710524 /nfs/dbraw/zinc/71/05/24/838710524.db2.gz SLDNJMLQRDUWEZ-VXGBXAGGSA-N -1 0 365.415 -0.428 20 0 FBADRM CO[C@@H]1CN(Cc2cscn2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC001082016526 838710801 /nfs/dbraw/zinc/71/08/01/838710801.db2.gz SNPKQFPRLGBTTC-VXGBXAGGSA-N -1 0 365.415 -0.428 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1ncccc1F ZINC001082067636 838720801 /nfs/dbraw/zinc/72/08/01/838720801.db2.gz UUHREQXNYHBOQK-VXGBXAGGSA-N -1 0 350.354 -0.398 20 0 FBADRM CO[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)C[C@H]1NC(=O)C(N)=O ZINC001082087995 838724043 /nfs/dbraw/zinc/72/40/43/838724043.db2.gz UPKNNAWCFZLXIN-RKDXNWHRSA-N -1 0 351.388 -0.802 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cc(C(F)F)n[nH]1 ZINC001082121988 838726526 /nfs/dbraw/zinc/72/65/26/838726526.db2.gz VPLMOHYUPAYMKE-RKDXNWHRSA-N -1 0 357.321 -0.200 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1cn(C)nc1Cl ZINC001082132930 838729995 /nfs/dbraw/zinc/72/99/95/838729995.db2.gz YDRWFTUUVBUAEW-NXEZZACHSA-N -1 0 369.813 -0.545 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cn1cc(Cl)cn1 ZINC001082186079 838741112 /nfs/dbraw/zinc/74/11/12/838741112.db2.gz CPNMXLFDTQZVKQ-NXEZZACHSA-N -1 0 355.786 -0.624 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1nn(C)c(C)c1Cl ZINC001082188548 838741579 /nfs/dbraw/zinc/74/15/79/838741579.db2.gz FPQQKERXYBLYDN-RKDXNWHRSA-N -1 0 369.813 -0.165 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1csc2cncn21 ZINC001082196706 838740160 /nfs/dbraw/zinc/74/01/60/838740160.db2.gz ZSKABRQPOUPCGM-PSASIEDQSA-N -1 0 363.403 -0.151 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1nc(C)ncc1Cl ZINC001082203541 838742790 /nfs/dbraw/zinc/74/27/90/838742790.db2.gz DLVJHOZIMPOCQS-NXEZZACHSA-N -1 0 367.797 -0.109 20 0 FBADRM COCc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2OC)no1 ZINC001082205028 838742834 /nfs/dbraw/zinc/74/28/34/838742834.db2.gz FXKKNGLHQQKWFU-GHMZBOCLSA-N -1 0 352.351 -0.726 20 0 FBADRM COCc1ncsc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001082214925 838744256 /nfs/dbraw/zinc/74/42/56/838744256.db2.gz AVAQLZRWUFEBSY-PSASIEDQSA-N -1 0 368.419 -0.258 20 0 FBADRM CCc1nc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2OC)c(C)o1 ZINC001082228816 838751216 /nfs/dbraw/zinc/75/12/16/838751216.db2.gz JIBZYRIZKQQKCX-NXEZZACHSA-N -1 0 350.379 -0.002 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccc(C(N)=O)s1 ZINC001082232420 838746907 /nfs/dbraw/zinc/74/69/07/838746907.db2.gz FTYAGRMXNUZFAZ-HTQZYQBOSA-N -1 0 366.403 -0.700 20 0 FBADRM CO[C@@H]1CN(CCCF)C[C@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001082247065 838748966 /nfs/dbraw/zinc/74/89/66/838748966.db2.gz BGFVCMNBIQCHNS-VXGBXAGGSA-N -1 0 352.370 -0.754 20 0 FBADRM CO[C@@H]1CN(C/C=C\Cl)C[C@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001082248355 838749276 /nfs/dbraw/zinc/74/92/76/838749276.db2.gz IAIOWYHNUUGOEV-JDEDCZITSA-N -1 0 366.809 -0.361 20 0 FBADRM CO[C@@H]1CN(C/C=C/Cl)C[C@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001082248356 838749551 /nfs/dbraw/zinc/74/95/51/838749551.db2.gz IAIOWYHNUUGOEV-JGLYPNHGSA-N -1 0 366.809 -0.361 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnn(C(F)F)c1 ZINC001082276076 838757027 /nfs/dbraw/zinc/75/70/27/838757027.db2.gz XUHRUELCRRZKFB-RKDXNWHRSA-N -1 0 357.321 -0.269 20 0 FBADRM COCc1nc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2OC)co1 ZINC001082284510 838759763 /nfs/dbraw/zinc/75/97/63/838759763.db2.gz IICAUIHTXZLENA-PSASIEDQSA-N -1 0 352.351 -0.726 20 0 FBADRM CCc1nc(C)c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2OC)o1 ZINC001082301960 838761435 /nfs/dbraw/zinc/76/14/35/838761435.db2.gz SKSMANSFCZBYCW-NXEZZACHSA-N -1 0 350.379 -0.002 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cn(C)nc1Cl ZINC001082321633 838767024 /nfs/dbraw/zinc/76/70/24/838767024.db2.gz DVKNLIVLPYXFMO-RKDXNWHRSA-N -1 0 355.786 -0.474 20 0 FBADRM COCc1nocc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001082322361 838768543 /nfs/dbraw/zinc/76/85/43/838768543.db2.gz PZBLUDODQHHEQU-MWLCHTKSSA-N -1 0 352.351 -0.726 20 0 FBADRM CO[C@@H]1CN(Cc2cnc(C)s2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082344256 838769780 /nfs/dbraw/zinc/76/97/80/838769780.db2.gz CLRJXDZZWNTPMX-GHMZBOCLSA-N -1 0 368.419 -0.530 20 0 FBADRM CO[C@@H]1CN(Cc2cc(C)on2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082344404 838769555 /nfs/dbraw/zinc/76/95/55/838769555.db2.gz LNJXGWODHDQYOH-GHMZBOCLSA-N -1 0 352.351 -0.999 20 0 FBADRM CO[C@@H]1CN(Cc2cc(C)no2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082344552 838770061 /nfs/dbraw/zinc/77/00/61/838770061.db2.gz SNILGIHYGIJEHE-GHMZBOCLSA-N -1 0 352.351 -0.999 20 0 FBADRM CO[C@@H]1CN(Cc2cnoc2C)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346309 838770046 /nfs/dbraw/zinc/77/00/46/838770046.db2.gz BCZDOJWZFSTKGG-GHMZBOCLSA-N -1 0 352.351 -0.999 20 0 FBADRM CO[C@@H]1CN(Cc2cscn2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346340 838769402 /nfs/dbraw/zinc/76/94/02/838769402.db2.gz CULFQPPGNAHOEF-NXEZZACHSA-N -1 0 354.392 -0.839 20 0 FBADRM CO[C@@H]1CN(Cc2nc(C)cs2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346345 838769160 /nfs/dbraw/zinc/76/91/60/838769160.db2.gz DBEKOVFFNUFJLV-NXEZZACHSA-N -1 0 368.419 -0.530 20 0 FBADRM CO[C@@H]1CN(Cc2ccns2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346351 838769633 /nfs/dbraw/zinc/76/96/33/838769633.db2.gz DKYJCISQHQHEPL-NXEZZACHSA-N -1 0 354.392 -0.839 20 0 FBADRM CO[C@@H]1CN(Cc2nccs2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346366 838769056 /nfs/dbraw/zinc/76/90/56/838769056.db2.gz DYPKCDYQTOSFNL-RKDXNWHRSA-N -1 0 354.392 -0.839 20 0 FBADRM CO[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346378 838770159 /nfs/dbraw/zinc/77/01/59/838770159.db2.gz FUERYDKOQGXHQY-VXGBXAGGSA-N -1 0 367.431 -0.191 20 0 FBADRM CO[C@@H]1CN(Cc2csc(C)n2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346383 838769517 /nfs/dbraw/zinc/76/95/17/838769517.db2.gz GDCBWBBZQPFWCO-GHMZBOCLSA-N -1 0 368.419 -0.530 20 0 FBADRM CO[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346387 838769617 /nfs/dbraw/zinc/76/96/17/838769617.db2.gz GFQFMCJICRQRJB-VXGBXAGGSA-N -1 0 355.395 -0.926 20 0 FBADRM CO[C@@H]1CN(C/C(Cl)=C\Cl)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346389 838770797 /nfs/dbraw/zinc/77/07/97/838770797.db2.gz GIVQDIYYSDXFMI-GGAOAOBRSA-N -1 0 366.205 -0.176 20 0 FBADRM CO[C@@H]1CN(C/C(Cl)=C/Cl)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346390 838771039 /nfs/dbraw/zinc/77/10/39/838771039.db2.gz GIVQDIYYSDXFMI-VBRLMYHSSA-N -1 0 366.205 -0.176 20 0 FBADRM CO[C@@H]1CN(CCC(F)(F)F)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346431 838771347 /nfs/dbraw/zinc/77/13/47/838771347.db2.gz HWPQCRBIUPQGTJ-HTQZYQBOSA-N -1 0 353.301 -0.543 20 0 FBADRM CO[C@@H]1CN(Cc2cc(C)ns2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346437 838771271 /nfs/dbraw/zinc/77/12/71/838771271.db2.gz IJSBEYBZEXQTOA-GHMZBOCLSA-N -1 0 368.419 -0.530 20 0 FBADRM CO[C@@H]1CN(CC=C(Cl)Cl)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346448 838770686 /nfs/dbraw/zinc/77/06/86/838770686.db2.gz JFKZTZHTPNMFTL-HTQZYQBOSA-N -1 0 366.205 -0.176 20 0 FBADRM CO[C@@H]1CN(Cc2ncc(C)o2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346470 838770813 /nfs/dbraw/zinc/77/08/13/838770813.db2.gz KFVRKVKTHIJPHC-NXEZZACHSA-N -1 0 352.351 -0.999 20 0 FBADRM CO[C@@H]1CN(Cc2cnc(C)o2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346545 838771185 /nfs/dbraw/zinc/77/11/85/838771185.db2.gz NMLCIVBTHUPLKV-GHMZBOCLSA-N -1 0 352.351 -0.999 20 0 FBADRM CO[C@@H]1CN(Cc2scnc2C)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346563 838771279 /nfs/dbraw/zinc/77/12/79/838771279.db2.gz ODSUMRGTJYDZTO-NXEZZACHSA-N -1 0 368.419 -0.530 20 0 FBADRM CO[C@@H]1CN(Cc2ccsc2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346584 838770928 /nfs/dbraw/zinc/77/09/28/838770928.db2.gz OZANINHBCQYDTO-GHMZBOCLSA-N -1 0 353.404 -0.234 20 0 FBADRM CO[C@@H]1CN(CCc2ccns2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346589 838770998 /nfs/dbraw/zinc/77/09/98/838770998.db2.gz PNVXLJCQYQUUEP-GHMZBOCLSA-N -1 0 368.419 -0.796 20 0 FBADRM CO[C@@H]1CN(Cc2conc2C)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346609 838770773 /nfs/dbraw/zinc/77/07/73/838770773.db2.gz QOXNSPWZDXELIC-GHMZBOCLSA-N -1 0 352.351 -0.999 20 0 FBADRM CO[C@@H]1CN([C@H](C)c2csnn2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346612 838770947 /nfs/dbraw/zinc/77/09/47/838770947.db2.gz QUDORQMSLSEHAT-NQMVMOMDSA-N -1 0 369.407 -0.883 20 0 FBADRM CO[C@@H]1CN([C@@H](C)c2csnn2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346613 838770763 /nfs/dbraw/zinc/77/07/63/838770763.db2.gz QUDORQMSLSEHAT-QXFUBDJGSA-N -1 0 369.407 -0.883 20 0 FBADRM CO[C@@H]1CN(Cc2cncs2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346632 838771305 /nfs/dbraw/zinc/77/13/05/838771305.db2.gz RYPOJGLABZQJJJ-NXEZZACHSA-N -1 0 354.392 -0.839 20 0 FBADRM CO[C@@H]1CN(Cc2coc(C)n2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346641 838770979 /nfs/dbraw/zinc/77/09/79/838770979.db2.gz SQJGWYZDDCILNX-GHMZBOCLSA-N -1 0 352.351 -0.999 20 0 FBADRM CO[C@@H]1CN(Cc2nocc2C)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346648 838771047 /nfs/dbraw/zinc/77/10/47/838771047.db2.gz SWIQJWFPNBFXNH-GHMZBOCLSA-N -1 0 352.351 -0.999 20 0 FBADRM CO[C@@H]1CN(Cc2ncc(C)s2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346672 838771060 /nfs/dbraw/zinc/77/10/60/838771060.db2.gz VKRQOVLKKZYRTF-NXEZZACHSA-N -1 0 368.419 -0.530 20 0 FBADRM CO[C@@H]1CN(CC(F)(F)C(F)F)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346709 838771163 /nfs/dbraw/zinc/77/11/63/838771163.db2.gz XICSKYASCIPOKF-RNFRBKRXSA-N -1 0 371.291 -0.595 20 0 FBADRM CO[C@@H]1CN(Cc2ocnc2C)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346738 838771114 /nfs/dbraw/zinc/77/11/14/838771114.db2.gz ZCPSHDVEKBVYFB-MWLCHTKSSA-N -1 0 352.351 -0.999 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1c(Cl)nn(C)c1C ZINC001082348090 838772079 /nfs/dbraw/zinc/77/20/79/838772079.db2.gz JMLAKVNAXNFFHZ-RKDXNWHRSA-N -1 0 369.813 -0.165 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1c(C)nn(C)c1F ZINC001082348890 838772028 /nfs/dbraw/zinc/77/20/28/838772028.db2.gz WYOGZNZYQSIDPL-RKDXNWHRSA-N -1 0 353.358 -0.679 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1csc(C)n1 ZINC001082360390 838776539 /nfs/dbraw/zinc/77/65/39/838776539.db2.gz ZBUUIJVIYXXVOY-GHMZBOCLSA-N -1 0 352.420 -0.167 20 0 FBADRM CCc1onc(C)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001082365095 838784014 /nfs/dbraw/zinc/78/40/14/838784014.db2.gz IKWLXCQLGIWPOS-MWLCHTKSSA-N -1 0 350.379 -0.002 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cn1c(C)csc1=O ZINC001082366082 838778808 /nfs/dbraw/zinc/77/88/08/838778808.db2.gz LQPGNOYSHJOGOG-NXEZZACHSA-N -1 0 368.419 -0.942 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1c(C)noc1C ZINC001082366182 838780558 /nfs/dbraw/zinc/78/05/58/838780558.db2.gz PTHRMFRRBKLDID-VXGBXAGGSA-N -1 0 350.379 -0.327 20 0 FBADRM CCc1noc(C)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001082366486 838781068 /nfs/dbraw/zinc/78/10/68/838781068.db2.gz GOEDTQRSFQMGIA-GHMZBOCLSA-N -1 0 350.379 -0.002 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cc(C(N)=O)cs1 ZINC001082385636 838791116 /nfs/dbraw/zinc/79/11/16/838791116.db2.gz ZQSLHEVRRSIEDQ-RKDXNWHRSA-N -1 0 366.403 -0.700 20 0 FBADRM COCc1nc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2OC)cs1 ZINC001082393309 838793931 /nfs/dbraw/zinc/79/39/31/838793931.db2.gz BTQBLRQSUASCTG-PSASIEDQSA-N -1 0 368.419 -0.258 20 0 FBADRM CCn1nc(C)c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2OC)n1 ZINC001082398338 838797033 /nfs/dbraw/zinc/79/70/33/838797033.db2.gz VWPTXENHBBCUDW-NXEZZACHSA-N -1 0 350.383 -0.941 20 0 FBADRM COCc1ncc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2OC)s1 ZINC001082398595 838796565 /nfs/dbraw/zinc/79/65/65/838796565.db2.gz IZJBSCGAXFGZPH-RKDXNWHRSA-N -1 0 368.419 -0.258 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H]1CC12CCOCC2 ZINC001082400656 838797480 /nfs/dbraw/zinc/79/74/80/838797480.db2.gz HTGUCJIFVGOUDD-IJLUTSLNSA-N -1 0 351.407 -0.358 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H]1CC12CCOCC2 ZINC001082400657 838798267 /nfs/dbraw/zinc/79/82/67/838798267.db2.gz HTGUCJIFVGOUDD-QJPTWQEYSA-N -1 0 351.407 -0.358 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H](C)C1CCOCC1 ZINC001082401530 838799517 /nfs/dbraw/zinc/79/95/17/838799517.db2.gz RNZMRZUGTGFFCJ-CYZMBNFOSA-N -1 0 353.423 -0.112 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H](C)C1CCOCC1 ZINC001082401531 838799355 /nfs/dbraw/zinc/79/93/55/838799355.db2.gz RNZMRZUGTGFFCJ-RAIGVLPGSA-N -1 0 353.423 -0.112 20 0 FBADRM C[C@@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1NCc1csnn1 ZINC001082614474 838835776 /nfs/dbraw/zinc/83/57/76/838835776.db2.gz MTHGGQOYGHFKBW-LDYMZIIASA-N -1 0 365.419 -0.296 20 0 FBADRM C[C@@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1NCc1nncs1 ZINC001082614518 838835836 /nfs/dbraw/zinc/83/58/36/838835836.db2.gz PFQGYQGRIIWXTO-PSASIEDQSA-N -1 0 365.419 -0.296 20 0 FBADRM C[C@@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1NCc1cnsn1 ZINC001082614646 838835726 /nfs/dbraw/zinc/83/57/26/838835726.db2.gz YZYGWOWWGVOBGP-LDYMZIIASA-N -1 0 365.419 -0.296 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NCc1nn(C)cc1Cl ZINC001082619874 838836986 /nfs/dbraw/zinc/83/69/86/838836986.db2.gz GFVCVDIBDAVKIW-GMSGAONNSA-N -1 0 367.797 -0.080 20 0 FBADRM C[C@@H](N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C)c1csnn1 ZINC001082620007 838837153 /nfs/dbraw/zinc/83/71/53/838837153.db2.gz ODVFDSOLGRZSME-BWZBUEFSSA-N -1 0 351.392 -0.054 20 0 FBADRM C[C@H](N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C)c1csnn1 ZINC001082620008 838837271 /nfs/dbraw/zinc/83/72/71/838837271.db2.gz ODVFDSOLGRZSME-GJMOJQLCSA-N -1 0 351.392 -0.054 20 0 FBADRM CCc1nnc(CN[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2C)s1 ZINC001082620101 838837707 /nfs/dbraw/zinc/83/77/07/838837707.db2.gz WBUGPLGCNMTWHV-HTQZYQBOSA-N -1 0 365.419 -0.053 20 0 FBADRM Cc1nnc(CN[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2C)s1 ZINC001082620116 838837201 /nfs/dbraw/zinc/83/72/01/838837201.db2.gz XLQMJHAELAEYHC-HTRCEHHLSA-N -1 0 351.392 -0.307 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1[NH2+]Cc1ncc(Cl)n1C ZINC001082620215 838837532 /nfs/dbraw/zinc/83/75/32/838837532.db2.gz FPPGZBGGXCFXDM-HTQZYQBOSA-N -1 0 367.797 -0.080 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NCc1cnsn1 ZINC001082679623 838844212 /nfs/dbraw/zinc/84/42/12/838844212.db2.gz MIMRGZDNVGUIOA-LDYMZIIASA-N -1 0 350.404 -0.412 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NCc1csnn1 ZINC001082679673 838844380 /nfs/dbraw/zinc/84/43/80/838844380.db2.gz PFMADQKKEKBMNA-LDYMZIIASA-N -1 0 350.404 -0.412 20 0 FBADRM Cc1nnc(CN[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]2C)s1 ZINC001082679746 838844075 /nfs/dbraw/zinc/84/40/75/838844075.db2.gz UURGGLWHARMXOQ-LDYMZIIASA-N -1 0 364.431 -0.104 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NCc1nncs1 ZINC001082680199 838843956 /nfs/dbraw/zinc/84/39/56/838843956.db2.gz VEAZSBZKJJTKEB-PSASIEDQSA-N -1 0 350.404 -0.412 20 0 FBADRM Cc1noc([C@H](C)N[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C)n1 ZINC001082884776 838875988 /nfs/dbraw/zinc/87/59/88/838875988.db2.gz FMFFXFZDUVKTJO-KHQFGBGNSA-N -1 0 351.367 -0.422 20 0 FBADRM Cc1noc([C@@H](C)N[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C)n1 ZINC001082884777 838875786 /nfs/dbraw/zinc/87/57/86/838875786.db2.gz FMFFXFZDUVKTJO-NQMVMOMDSA-N -1 0 351.367 -0.422 20 0 FBADRM Cc1nnc([C@H](C)N[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C)o1 ZINC001082884805 838875606 /nfs/dbraw/zinc/87/56/06/838875606.db2.gz HGKCMIYKOFGINS-KHQFGBGNSA-N -1 0 351.367 -0.422 20 0 FBADRM Cc1nnc([C@@H](C)N[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C)o1 ZINC001082884806 838877503 /nfs/dbraw/zinc/87/75/03/838877503.db2.gz HGKCMIYKOFGINS-NQMVMOMDSA-N -1 0 351.367 -0.422 20 0 FBADRM Cc1nnc(CN[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C)s1 ZINC001082885085 838877359 /nfs/dbraw/zinc/87/73/59/838877359.db2.gz DFHAENZUHQPKAE-VXNVDRBHSA-N -1 0 353.408 -0.514 20 0 FBADRM CCc1nnc(CN[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C)o1 ZINC001082885132 838877335 /nfs/dbraw/zinc/87/73/35/838877335.db2.gz HKHBTQSHMCUKPS-RKDXNWHRSA-N -1 0 351.367 -0.729 20 0 FBADRM CCc1cnc(CN[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C)o1 ZINC001082885166 838877690 /nfs/dbraw/zinc/87/76/90/838877690.db2.gz JSIZKPGLNDHNAY-MWLCHTKSSA-N -1 0 350.379 -0.124 20 0 FBADRM CCc1nc(CN[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C)no1 ZINC001082885208 838877773 /nfs/dbraw/zinc/87/77/73/838877773.db2.gz MFOWGIDKSUNQFU-RKDXNWHRSA-N -1 0 351.367 -0.729 20 0 FBADRM Cc1nc(CN[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C)oc1C ZINC001082885232 838877141 /nfs/dbraw/zinc/87/71/41/838877141.db2.gz NMNNQFIYUCXWKE-LDYMZIIASA-N -1 0 350.379 -0.069 20 0 FBADRM CCc1nnc(CN[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C)s1 ZINC001082885495 838877610 /nfs/dbraw/zinc/87/76/10/838877610.db2.gz AUYDRAKAKQLEAQ-RKDXNWHRSA-N -1 0 367.435 -0.260 20 0 FBADRM C[C@H](N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C)c1csnn1 ZINC001082885662 838877592 /nfs/dbraw/zinc/87/75/92/838877592.db2.gz HXBOZHTWIKPIIM-HRDYMLBCSA-N -1 0 353.408 -0.262 20 0 FBADRM C[C@@H](N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C)c1csnn1 ZINC001082885663 838877290 /nfs/dbraw/zinc/87/72/90/838877290.db2.gz HXBOZHTWIKPIIM-IWSPIJDZSA-N -1 0 353.408 -0.262 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NCc1nn(C)cc1Cl ZINC001082885730 838875815 /nfs/dbraw/zinc/87/58/15/838875815.db2.gz KILSDMYXWBEHMA-LDYMZIIASA-N -1 0 369.813 -0.287 20 0 FBADRM Cc1nc(CN[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C)c(C)o1 ZINC001082885849 838875697 /nfs/dbraw/zinc/87/56/97/838875697.db2.gz OSGODKYZBXPISM-PRHODGIISA-N -1 0 350.379 -0.069 20 0 FBADRM C[C@H](N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C)c1nncn1C ZINC001082885948 838876727 /nfs/dbraw/zinc/87/67/27/838876727.db2.gz UUGBGRJAKWFAJS-KXUCPTDWSA-N -1 0 350.383 -0.985 20 0 FBADRM C[C@@H](N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C)c1nncn1C ZINC001082885949 838876381 /nfs/dbraw/zinc/87/63/81/838876381.db2.gz UUGBGRJAKWFAJS-OPRDCNLKSA-N -1 0 350.383 -0.985 20 0 FBADRM CCc1noc(CN[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C)n1 ZINC001082885963 838875658 /nfs/dbraw/zinc/87/56/58/838875658.db2.gz VGVTWQWHAMNLTO-RKDXNWHRSA-N -1 0 351.367 -0.729 20 0 FBADRM Cc1nc([C@H](C)N[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C)no1 ZINC001082885971 838875800 /nfs/dbraw/zinc/87/58/00/838875800.db2.gz VSYPEOLIJMWWBQ-KHQFGBGNSA-N -1 0 351.367 -0.422 20 0 FBADRM Cc1nc([C@@H](C)N[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2C)no1 ZINC001082885972 838875768 /nfs/dbraw/zinc/87/57/68/838875768.db2.gz VSYPEOLIJMWWBQ-NQMVMOMDSA-N -1 0 351.367 -0.422 20 0 FBADRM Cc1nnsc1C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001082996470 838898894 /nfs/dbraw/zinc/89/88/94/838898894.db2.gz IHMZRUFQLJJNKT-DTWKUNHWSA-N -1 0 351.392 -0.604 20 0 FBADRM O=C(CC[C@H]1CCCO1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083007696 838901536 /nfs/dbraw/zinc/90/15/36/838901536.db2.gz IMGLQDBMBDIRGT-FRRDWIJNSA-N -1 0 351.407 -0.119 20 0 FBADRM O=C(CC[C@@H]1CCCO1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083007697 838901027 /nfs/dbraw/zinc/90/10/27/838901027.db2.gz IMGLQDBMBDIRGT-RWMBFGLXSA-N -1 0 351.407 -0.119 20 0 FBADRM O=C(COC1CCCC1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083010550 838902950 /nfs/dbraw/zinc/90/29/50/838902950.db2.gz PSTYKAAWSZYFGA-QWHCGFSZSA-N -1 0 351.407 -0.119 20 0 FBADRM O=C(CC1CCOCC1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083030002 838910281 /nfs/dbraw/zinc/91/02/81/838910281.db2.gz QDGIVGUWEBLCIU-QWHCGFSZSA-N -1 0 351.407 -0.261 20 0 FBADRM O=C(CC[C@@H]1CCOC1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083044227 838917037 /nfs/dbraw/zinc/91/70/37/838917037.db2.gz BIRKMEJIZGPXEL-FRRDWIJNSA-N -1 0 351.407 -0.261 20 0 FBADRM O=C(CC[C@H]1CCOC1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083044228 838917811 /nfs/dbraw/zinc/91/78/11/838917811.db2.gz BIRKMEJIZGPXEL-RWMBFGLXSA-N -1 0 351.407 -0.261 20 0 FBADRM O=C(C[C@H]1CCCCO1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083046062 838917119 /nfs/dbraw/zinc/91/71/19/838917119.db2.gz KFVCECNCOFGTTG-FRRDWIJNSA-N -1 0 351.407 -0.119 20 0 FBADRM O=C(C[C@@H]1CCCCO1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083046063 838918895 /nfs/dbraw/zinc/91/88/95/838918895.db2.gz KFVCECNCOFGTTG-RWMBFGLXSA-N -1 0 351.407 -0.119 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCO[C@@H]3CN([C@H](C)C(=O)N(C)C)C[C@@H]32)c1[O-] ZINC001083052137 838918533 /nfs/dbraw/zinc/91/85/33/838918533.db2.gz CPRJNPKJFKMKCP-GRYCIOLGSA-N -1 0 351.407 -0.574 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCO[C@@H]3CN([C@@H](C)C(=O)N(C)C)C[C@@H]32)c1[O-] ZINC001083052138 838918637 /nfs/dbraw/zinc/91/86/37/838918637.db2.gz CPRJNPKJFKMKCP-SDDRHHMPSA-N -1 0 351.407 -0.574 20 0 FBADRM C[C@@](O)(CC(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21)C1CC1 ZINC001083055440 838920169 /nfs/dbraw/zinc/92/01/69/838920169.db2.gz FHXSINFSVFGKDP-HWWQOWPSSA-N -1 0 351.407 -0.527 20 0 FBADRM C[C@](O)(CC(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21)C1CC1 ZINC001083055441 838920217 /nfs/dbraw/zinc/92/02/17/838920217.db2.gz FHXSINFSVFGKDP-OZVIIMIRSA-N -1 0 351.407 -0.527 20 0 FBADRM COc1cc(C(=O)N2CCO[C@@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@@H]32)on1 ZINC001083057589 838923238 /nfs/dbraw/zinc/92/32/38/838923238.db2.gz QXLVQRHMTFKBEM-WCBMZHEXSA-N -1 0 350.335 -0.768 20 0 FBADRM O=C(CC1OCCCO1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083060466 838922977 /nfs/dbraw/zinc/92/29/77/838922977.db2.gz FMQWUHXRVHUZRG-WDEREUQCSA-N -1 0 353.379 -0.925 20 0 FBADRM O=C([C@@H]1CCCOCC1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083064832 838924520 /nfs/dbraw/zinc/92/45/20/838924520.db2.gz CXBMNTIIMWHIRY-FRRDWIJNSA-N -1 0 351.407 -0.261 20 0 FBADRM O=C([C@H]1CCCOCC1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083064833 838924703 /nfs/dbraw/zinc/92/47/03/838924703.db2.gz CXBMNTIIMWHIRY-RWMBFGLXSA-N -1 0 351.407 -0.261 20 0 FBADRM O=C(C1CCC(O)CC1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083066030 838926400 /nfs/dbraw/zinc/92/64/00/838926400.db2.gz GBYSOCQLEQFVQR-IFWUJCSASA-N -1 0 351.407 -0.527 20 0 FBADRM CCOC1CC(C(=O)N2CCO[C@@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@@H]32)C1 ZINC001083073271 838913768 /nfs/dbraw/zinc/91/37/68/838913768.db2.gz YFSBWALWQZJSOH-IFWUJCSASA-N -1 0 351.407 -0.263 20 0 FBADRM Cn1ncc(Cl)c1C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083083252 838936595 /nfs/dbraw/zinc/93/65/95/838936595.db2.gz LDTYNJSGVKQIFK-VHSXEESVSA-N -1 0 367.797 -0.377 20 0 FBADRM COc1cc(C(=O)N2CCO[C@@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@@H]32)sn1 ZINC001083084410 838937872 /nfs/dbraw/zinc/93/78/72/838937872.db2.gz OASUUTSJNLXFFG-DTWKUNHWSA-N -1 0 366.403 -0.299 20 0 FBADRM Cn1cc(Cl)c(C(=O)N2CCO[C@@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@@H]32)n1 ZINC001083092489 838941083 /nfs/dbraw/zinc/94/10/83/838941083.db2.gz NPLLYBHFOQYKST-VHSXEESVSA-N -1 0 367.797 -0.377 20 0 FBADRM Cc1[nH]nc(Cl)c1C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083101855 838944834 /nfs/dbraw/zinc/94/48/34/838944834.db2.gz ZOSIOKFFSSWWPH-DTWKUNHWSA-N -1 0 367.797 -0.079 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083109327 838947985 /nfs/dbraw/zinc/94/79/85/838947985.db2.gz RZDYJEZTOLOVQJ-CZXHOFHRSA-N -1 0 351.407 -0.263 20 0 FBADRM O=C(Cc1cncs1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083112655 838929663 /nfs/dbraw/zinc/92/96/63/838929663.db2.gz LCUSXKKIJRSAAB-WDEREUQCSA-N -1 0 350.404 -0.379 20 0 FBADRM Cn1ncc(C(=O)N2CCO[C@@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@@H]32)c1Cl ZINC001083121892 838933849 /nfs/dbraw/zinc/93/38/49/838933849.db2.gz IVRRCGDJBPJJQP-VHSXEESVSA-N -1 0 367.797 -0.377 20 0 FBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N1CCO[C@@H]2CN(C/C=C\Cl)C[C@@H]21 ZINC001083129687 838950044 /nfs/dbraw/zinc/95/00/44/838950044.db2.gz ZOBFVHKNMNOZFZ-BBIYOQCPSA-N -1 0 369.809 -0.121 20 0 FBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N1CCO[C@@H]2CN(C/C=C/Cl)C[C@@H]21 ZINC001083129688 838950829 /nfs/dbraw/zinc/95/08/29/838950829.db2.gz ZOBFVHKNMNOZFZ-URUUNZHMSA-N -1 0 369.809 -0.121 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCO[C@@H]2CN(Cc3ccns3)C[C@@H]21 ZINC001083131797 838952035 /nfs/dbraw/zinc/95/20/35/838952035.db2.gz NCEZZESTGARLMW-VHSXEESVSA-N -1 0 364.387 -0.535 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCO[C@@H]2CN(Cc3cscn3)C[C@@H]21 ZINC001083131890 838952072 /nfs/dbraw/zinc/95/20/72/838952072.db2.gz RAPJJLSIHOCUIH-VHSXEESVSA-N -1 0 364.387 -0.535 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCO[C@@H]2CN(Cc3cncs3)C[C@@H]21 ZINC001083131902 838951797 /nfs/dbraw/zinc/95/17/97/838951797.db2.gz ROZHAZZYBMZMQL-VHSXEESVSA-N -1 0 364.387 -0.535 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCO[C@@H]2CN(CCC(F)(F)F)C[C@@H]21 ZINC001083132201 838951766 /nfs/dbraw/zinc/95/17/66/838951766.db2.gz IHPGENYCMVUXRT-JGVFFNPUSA-N -1 0 363.296 -0.240 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCO[C@@H]2CN(Cc3nccs3)C[C@@H]21 ZINC001083132415 838952245 /nfs/dbraw/zinc/95/22/45/838952245.db2.gz VESHOUBTBKEVFF-DTWKUNHWSA-N -1 0 364.387 -0.535 20 0 FBADRM CCc1nnsc1C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083134568 838953509 /nfs/dbraw/zinc/95/35/09/838953509.db2.gz GXGMIWGCSXBMQI-VHSXEESVSA-N -1 0 365.419 -0.350 20 0 FBADRM Cn1nc(C(=O)N2CCO[C@@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@@H]32)cc1Cl ZINC001083138416 838955810 /nfs/dbraw/zinc/95/58/10/838955810.db2.gz WARVVCZVOXPTQS-VHSXEESVSA-N -1 0 367.797 -0.377 20 0 FBADRM Cn1c(Cl)ncc1C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083143556 838957234 /nfs/dbraw/zinc/95/72/34/838957234.db2.gz ODFRRZRLIIIZSF-VHSXEESVSA-N -1 0 367.797 -0.377 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083149757 838956966 /nfs/dbraw/zinc/95/69/66/838956966.db2.gz KRDMMJCZAXTEJW-MROQNXINSA-N -1 0 351.407 -0.263 20 0 FBADRM COc1nc(C(=O)N2CCO[C@@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@@H]32)co1 ZINC001083154800 838960348 /nfs/dbraw/zinc/96/03/48/838960348.db2.gz NWFFVPIXLVGVRB-VHSXEESVSA-N -1 0 350.335 -0.768 20 0 FBADRM CO[C@@H](C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21)C1CCC1 ZINC001083155509 838958382 /nfs/dbraw/zinc/95/83/82/838958382.db2.gz YEINYHXCUCGYLL-OUCADQQQSA-N -1 0 351.407 -0.263 20 0 FBADRM CO[C@H](C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21)C1CCC1 ZINC001083155510 838958984 /nfs/dbraw/zinc/95/89/84/838958984.db2.gz YEINYHXCUCGYLL-SCRDCRAPSA-N -1 0 351.407 -0.263 20 0 FBADRM CC[C@@H](F)CN1C[C@H]2OCCN(C(=O)c3cnc([O-])n(C)c3=O)[C@H]2C1 ZINC001083160843 838960271 /nfs/dbraw/zinc/96/02/71/838960271.db2.gz WZUQRAXDEZJJRY-KGYLQXTDSA-N -1 0 354.382 -0.241 20 0 FBADRM CC[C@H](F)CN1C[C@H]2OCCN(C(=O)c3cnc([O-])n(C)c3=O)[C@H]2C1 ZINC001083160844 838960024 /nfs/dbraw/zinc/96/00/24/838960024.db2.gz WZUQRAXDEZJJRY-WCFLWFBJSA-N -1 0 354.382 -0.241 20 0 FBADRM O=C(c1csc(=O)[nH]1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083169639 838965281 /nfs/dbraw/zinc/96/52/81/838965281.db2.gz AJHJTOYPXQESCT-DTWKUNHWSA-N -1 0 352.376 -0.602 20 0 FBADRM NC(=O)C(=O)N1CCO[C@@H]2CN(Cc3nc(=O)c4sccc4[n-]3)C[C@@H]21 ZINC001083181137 838970153 /nfs/dbraw/zinc/97/01/53/838970153.db2.gz PYVGVVUBWQTIRJ-VHSXEESVSA-N -1 0 363.399 -0.706 20 0 FBADRM O=C(Cn1cc(Cl)cn1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083207038 679507833 /nfs/dbraw/zinc/50/78/33/679507833.db2.gz FCXINTADJNYREX-WDEREUQCSA-N -1 0 367.797 -0.528 20 0 FBADRM O=C(Cc1cscn1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083215903 679509383 /nfs/dbraw/zinc/50/93/83/679509383.db2.gz XPQWLKDSCSDEOV-WDEREUQCSA-N -1 0 350.404 -0.379 20 0 FBADRM Cn1cc(C(=O)N2CCO[C@@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@@H]32)c(Cl)n1 ZINC001083246112 679515034 /nfs/dbraw/zinc/51/50/34/679515034.db2.gz AISCZXDRCLKTGK-VHSXEESVSA-N -1 0 367.797 -0.377 20 0 FBADRM O=C(c1cc(Cl)no1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083255286 679516375 /nfs/dbraw/zinc/51/63/75/679516375.db2.gz NCQFUWUZKSDBQF-IONNQARKSA-N -1 0 354.754 -0.123 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@@H]2CN(Cc3ccsc3)C[C@@H]21 ZINC001083258506 679516726 /nfs/dbraw/zinc/51/67/26/679516726.db2.gz ICQIKKAPQHBNND-NWDGAFQWSA-N -1 0 365.415 -0.137 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@@H]2CN(Cc3ccns3)C[C@@H]21 ZINC001083258542 679516666 /nfs/dbraw/zinc/51/66/66/679516666.db2.gz JXXLGQXJYQHVAE-WDEREUQCSA-N -1 0 366.403 -0.742 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@@H]2CN(Cc3cncs3)C[C@@H]21 ZINC001083258683 679516646 /nfs/dbraw/zinc/51/66/46/679516646.db2.gz QGTWLVPLFHZFCN-WDEREUQCSA-N -1 0 366.403 -0.742 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@@H]2CN(CCC(F)(F)F)C[C@@H]21 ZINC001083258732 679516670 /nfs/dbraw/zinc/51/66/70/679516670.db2.gz SJHGGZWOCRTIHW-DTWKUNHWSA-N -1 0 365.312 -0.447 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@@H]2CN(Cc3nccs3)C[C@@H]21 ZINC001083258843 679516691 /nfs/dbraw/zinc/51/66/91/679516691.db2.gz YVCDLPYNGQAEQH-VHSXEESVSA-N -1 0 366.403 -0.742 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@@H]2CN(Cc3cscn3)C[C@@H]21 ZINC001083258847 679516683 /nfs/dbraw/zinc/51/66/83/679516683.db2.gz YYUJTIFFPJBYBM-WDEREUQCSA-N -1 0 366.403 -0.742 20 0 FBADRM Cc1nc(CC(=O)N2CCO[C@@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@@H]32)cs1 ZINC001083268704 679519556 /nfs/dbraw/zinc/51/95/56/679519556.db2.gz PTJXALSMBXFZMU-NWDGAFQWSA-N -1 0 364.431 -0.070 20 0 FBADRM O=C(C[C@H]1CCCOC1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083277426 679521480 /nfs/dbraw/zinc/52/14/80/679521480.db2.gz DBRNJBCIWJAMBA-FRRDWIJNSA-N -1 0 351.407 -0.261 20 0 FBADRM O=C(C[C@@H]1CCCOC1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083277427 679521471 /nfs/dbraw/zinc/52/14/71/679521471.db2.gz DBRNJBCIWJAMBA-RWMBFGLXSA-N -1 0 351.407 -0.261 20 0 FBADRM CC(F)(F)C(=O)N[C@@H]1CN([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@@H]1O ZINC001083306667 679528722 /nfs/dbraw/zinc/52/87/22/679528722.db2.gz SQBVTKJHOFPNBN-HLTSFMKQSA-N -1 0 359.295 -0.034 20 0 FBADRM CC(F)(F)C(=O)N[C@@H]1CN([C@H]2CCN(CC(F)(F)F)C2=O)C[C@@H]1O ZINC001083306668 679528881 /nfs/dbraw/zinc/52/88/81/679528881.db2.gz SQBVTKJHOFPNBN-VGMNWLOBSA-N -1 0 359.295 -0.034 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]2O)c1[O-] ZINC001083403078 679568028 /nfs/dbraw/zinc/56/80/28/679568028.db2.gz LLJZCGBAZHCSHB-NEPJUHHUSA-N -1 0 351.407 -0.789 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CCn3cc(Cl)cn3)C[C@@H]2O)c1[O-] ZINC001083409724 679570268 /nfs/dbraw/zinc/57/02/68/679570268.db2.gz GGAPRKUHSMLPAA-MNOVXSKESA-N -1 0 354.798 -0.251 20 0 FBADRM CCc1noc([C@H](C)N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)n1 ZINC001083409823 679570333 /nfs/dbraw/zinc/57/03/33/679570333.db2.gz KAGKZPVMXUPEIJ-AEJSXWLSSA-N -1 0 350.379 -0.095 20 0 FBADRM CCc1noc([C@@H](C)N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)n1 ZINC001083409824 679570218 /nfs/dbraw/zinc/57/02/18/679570218.db2.gz KAGKZPVMXUPEIJ-BBBLOLIVSA-N -1 0 350.379 -0.095 20 0 FBADRM CCc1nnc([C@H](C)N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)o1 ZINC001083409948 679570446 /nfs/dbraw/zinc/57/04/46/679570446.db2.gz NYRBPLDCVZIXBF-AEJSXWLSSA-N -1 0 350.379 -0.095 20 0 FBADRM CCc1nnc([C@@H](C)N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)o1 ZINC001083409949 679570415 /nfs/dbraw/zinc/57/04/15/679570415.db2.gz NYRBPLDCVZIXBF-BBBLOLIVSA-N -1 0 350.379 -0.095 20 0 FBADRM COc1nscc1CN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001083410016 679570407 /nfs/dbraw/zinc/57/04/07/679570407.db2.gz QMTLKKZBICHKFL-ZJUUUORDSA-N -1 0 353.404 -0.136 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@@H]3CCN(C(C)C)C3=O)C[C@@H]2O)c1[O-] ZINC001083410067 679570377 /nfs/dbraw/zinc/57/03/77/679570377.db2.gz SEDCQZXDELXDNR-UTUOFQBUSA-N -1 0 351.407 -0.792 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@H]3CCN(C(C)C)C3=O)C[C@@H]2O)c1[O-] ZINC001083410068 679570283 /nfs/dbraw/zinc/57/02/83/679570283.db2.gz SEDCQZXDELXDNR-WOPDTQHZSA-N -1 0 351.407 -0.792 20 0 FBADRM CCOc1nnc(CN2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)s1 ZINC001083410069 679570391 /nfs/dbraw/zinc/57/03/91/679570391.db2.gz SEWPQRIXKATXKP-BDAKNGLRSA-N -1 0 368.419 -0.351 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nccn3C(F)F)C[C@@H]2O)c1[O-] ZINC001083410172 679570293 /nfs/dbraw/zinc/57/02/93/679570293.db2.gz WKJVDVZWRMHNDY-BDAKNGLRSA-N -1 0 356.333 -0.010 20 0 FBADRM Cc1csc(=O)n1CCN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001083410214 679570420 /nfs/dbraw/zinc/57/04/20/679570420.db2.gz XOWOYKGWGHIAEY-MNOVXSKESA-N -1 0 367.431 -0.570 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)N3CCCCC3)C[C@@H]2O)c1[O-] ZINC001083410215 679570307 /nfs/dbraw/zinc/57/03/07/679570307.db2.gz XPDYIGMWRGBERL-NEPJUHHUSA-N -1 0 351.407 -0.789 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nn(C)cc3Cl)C[C@@H]2O)c1[O-] ZINC001083410248 679570411 /nfs/dbraw/zinc/57/04/11/679570411.db2.gz ZDNFQPLLOPBZDD-MNOVXSKESA-N -1 0 354.798 -0.214 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3noc(C(C)C)n3)C[C@@H]2O)c1[O-] ZINC001083410270 679570357 /nfs/dbraw/zinc/57/03/57/679570357.db2.gz ZQMWBINYSZBBAL-ZJUUUORDSA-N -1 0 350.379 -0.095 20 0 FBADRM CCCc1noc(CN2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)n1 ZINC001083410358 679570723 /nfs/dbraw/zinc/57/07/23/679570723.db2.gz BTEXTTDZDXSYHE-ZJUUUORDSA-N -1 0 350.379 -0.266 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nnsc3Cl)C[C@@H]2O)c1[O-] ZINC001083410475 679570711 /nfs/dbraw/zinc/57/07/11/679570711.db2.gz IAZBYZXCHFTNME-SVRRBLITSA-N -1 0 358.811 -0.096 20 0 FBADRM CCCc1nc(CN2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)no1 ZINC001083410527 679570769 /nfs/dbraw/zinc/57/07/69/679570769.db2.gz JRYFLMZCKZWOIO-ZJUUUORDSA-N -1 0 350.379 -0.266 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nsc(N(C)C)n3)C[C@@H]2O)c1[O-] ZINC001083410610 679570702 /nfs/dbraw/zinc/57/07/02/679570702.db2.gz NTBLWAHTPGJUEL-BDAKNGLRSA-N -1 0 367.435 -0.684 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3ncc(Cl)n3C)C[C@@H]2O)c1[O-] ZINC001083410612 679570642 /nfs/dbraw/zinc/57/06/42/679570642.db2.gz NTXPRMDUHZSTOZ-BDAKNGLRSA-N -1 0 354.798 -0.214 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nnc(C(C)C)o3)C[C@@H]2O)c1[O-] ZINC001083410642 679570749 /nfs/dbraw/zinc/57/07/49/679570749.db2.gz ORFYRBFKTHUIFV-ZJUUUORDSA-N -1 0 350.379 -0.095 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nc(C(C)C)no3)C[C@@H]2O)c1[O-] ZINC001083410732 679570640 /nfs/dbraw/zinc/57/06/40/679570640.db2.gz RXBFIYNQIJQPAU-ZJUUUORDSA-N -1 0 350.379 -0.095 20 0 FBADRM Cc1noc(CCCN2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)n1 ZINC001083410760 679570675 /nfs/dbraw/zinc/57/06/75/679570675.db2.gz SZRLYJXMFQVMPI-MNOVXSKESA-N -1 0 350.379 -0.477 20 0 FBADRM CCc1nnc(CN2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)s1 ZINC001083410795 679570725 /nfs/dbraw/zinc/57/07/25/679570725.db2.gz VAYUXVKTNHSWBX-BDAKNGLRSA-N -1 0 352.420 -0.187 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)NC3CCCC3)C[C@@H]2O)c1[O-] ZINC001083410814 679570752 /nfs/dbraw/zinc/57/07/52/679570752.db2.gz WCLOKCMPQSGOEK-NEPJUHHUSA-N -1 0 351.407 -0.743 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)Nc3nccs3)C[C@@H]2O)c1[O-] ZINC001083410819 679570787 /nfs/dbraw/zinc/57/07/87/679570787.db2.gz WGQWWYQZLMRKHI-BDAKNGLRSA-N -1 0 366.403 -0.706 20 0 FBADRM COc1cc(CN2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)sn1 ZINC001083410920 679570670 /nfs/dbraw/zinc/57/06/70/679570670.db2.gz ZHRHSLGKMUKGDM-ZJUUUORDSA-N -1 0 353.404 -0.136 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nc(C(F)F)no3)C[C@@H]2O)c1[O-] ZINC001083410935 679570668 /nfs/dbraw/zinc/57/06/68/679570668.db2.gz ZXZMDNPYISIQHA-RQJHMYQMSA-N -1 0 358.305 -0.281 20 0 FBADRM O=C(N[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1O)[C@@H]1CC1(F)F ZINC001083448616 679590272 /nfs/dbraw/zinc/59/02/72/679590272.db2.gz PUIHDTFROVTHPO-AXFHLTTASA-N -1 0 353.329 -0.661 20 0 FBADRM O=C(N[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1O)[C@H]1CC1(F)F ZINC001083448617 679590248 /nfs/dbraw/zinc/59/02/48/679590248.db2.gz PUIHDTFROVTHPO-MXWKQRLJSA-N -1 0 353.329 -0.661 20 0 FBADRM CCCc1onc(C)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083456089 679592505 /nfs/dbraw/zinc/59/25/05/679592505.db2.gz GIFXATHOUYJSRJ-ZJUUUORDSA-N -1 0 350.379 -0.266 20 0 FBADRM CC(C)(C)c1nc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)co1 ZINC001083456941 679592291 /nfs/dbraw/zinc/59/22/91/679592291.db2.gz VCTNVBCQHCEVSO-SCZZXKLOSA-N -1 0 350.379 -0.229 20 0 FBADRM Cc1oc(C(C)C)nc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083458108 679592277 /nfs/dbraw/zinc/59/22/77/679592277.db2.gz WJZHDMABIUEXPZ-ZJUUUORDSA-N -1 0 350.379 -0.095 20 0 FBADRM CO[C@H](C)c1nc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)cs1 ZINC001083462141 679593877 /nfs/dbraw/zinc/59/38/77/679593877.db2.gz XLKDICHVKIGHKD-MRTMQBJTSA-N -1 0 368.419 -0.351 20 0 FBADRM CO[C@@H](C)c1nc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)cs1 ZINC001083462142 679593778 /nfs/dbraw/zinc/59/37/78/679593778.db2.gz XLKDICHVKIGHKD-XKSSXDPKSA-N -1 0 368.419 -0.351 20 0 FBADRM CO[C@H](C)c1ncc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)s1 ZINC001083462700 679594250 /nfs/dbraw/zinc/59/42/50/679594250.db2.gz VMELRBUVWFSVFO-HLTSFMKQSA-N -1 0 368.419 -0.351 20 0 FBADRM CO[C@@H](C)c1ncc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)s1 ZINC001083462701 679594243 /nfs/dbraw/zinc/59/42/43/679594243.db2.gz VMELRBUVWFSVFO-YIZRAAEISA-N -1 0 368.419 -0.351 20 0 FBADRM CC(C)(C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@H]1CCCCO1 ZINC001083468101 679596979 /nfs/dbraw/zinc/59/69/79/679596979.db2.gz IEDUHBADXQVJTO-GRYCIOLGSA-N -1 0 353.423 -0.233 20 0 FBADRM CC(C)(C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@@H]1CCCCO1 ZINC001083468102 679597032 /nfs/dbraw/zinc/59/70/32/679597032.db2.gz IEDUHBADXQVJTO-WOPDTQHZSA-N -1 0 353.423 -0.233 20 0 FBADRM CC(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083471933 679598909 /nfs/dbraw/zinc/59/89/09/679598909.db2.gz XHCSTVIUQFVTIT-OPDFLTKYSA-N -1 0 353.423 -0.377 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ncnc2sccc21 ZINC001083474550 679600960 /nfs/dbraw/zinc/60/09/60/679600960.db2.gz NTMFNKYKIXXQJU-BDAKNGLRSA-N -1 0 361.387 -0.510 20 0 FBADRM O=C(Cc1ccc(F)cc1F)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083477955 679601633 /nfs/dbraw/zinc/60/16/33/679601633.db2.gz NATWVCPBDXCJHX-NEPJUHHUSA-N -1 0 353.329 -0.308 20 0 FBADRM COc1cccc(F)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083483229 679601954 /nfs/dbraw/zinc/60/19/54/679601954.db2.gz NIAYIRRSNYHDLZ-ZJUUUORDSA-N -1 0 351.338 -0.367 20 0 FBADRM CCn1ncc(Cl)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083488979 679604232 /nfs/dbraw/zinc/60/42/32/679604232.db2.gz HSPIESSUSFQWSD-BDAKNGLRSA-N -1 0 355.786 -0.645 20 0 FBADRM Cc1nc(Cl)sc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083492309 679605505 /nfs/dbraw/zinc/60/55/05/679605505.db2.gz VDGILWOIISLVRL-RQJHMYQMSA-N -1 0 358.811 -0.096 20 0 FBADRM Cc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)nn1C(F)F ZINC001083494786 679605628 /nfs/dbraw/zinc/60/56/28/679605628.db2.gz SHFAZIJSVCUEOC-BDAKNGLRSA-N -1 0 357.321 -0.615 20 0 FBADRM COc1cnc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c(F)c1 ZINC001083510895 679611296 /nfs/dbraw/zinc/61/12/96/679611296.db2.gz SZWKXEKDCVTAGV-ZJUUUORDSA-N -1 0 352.326 -0.972 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ncnc2ccsc21 ZINC001083511245 679611325 /nfs/dbraw/zinc/61/13/25/679611325.db2.gz JKLHMRLESZMKOS-BDAKNGLRSA-N -1 0 361.387 -0.510 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccc(C(F)F)nc1 ZINC001083512077 679611865 /nfs/dbraw/zinc/61/18/65/679611865.db2.gz XYFBBZKRIOSYCM-ZJUUUORDSA-N -1 0 354.317 -0.182 20 0 FBADRM O=C(Cn1ccc(C(F)F)n1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083514081 679612615 /nfs/dbraw/zinc/61/26/15/679612615.db2.gz MSCRJXAIRUEPNH-BDAKNGLRSA-N -1 0 357.321 -0.994 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1[nH]ncc1C(F)(F)F ZINC001083515864 679613188 /nfs/dbraw/zinc/61/31/88/679613188.db2.gz AUCMIBKFJCNTCX-RQJHMYQMSA-N -1 0 361.284 -0.773 20 0 FBADRM CCc1[nH]nc(Cl)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083516546 679613304 /nfs/dbraw/zinc/61/33/04/679613304.db2.gz KKUUDOUSPYOZHP-SFYZADRCSA-N -1 0 355.786 -0.576 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1c(Cl)n[nH]c1C1CC1 ZINC001083517192 679613667 /nfs/dbraw/zinc/61/36/67/679613667.db2.gz OPANRVNMMSCQNB-SFYZADRCSA-N -1 0 367.797 -0.261 20 0 FBADRM Cc1cn2cc(C(=O)N[C@@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@@H]3O)sc2n1 ZINC001083523773 679616675 /nfs/dbraw/zinc/61/66/75/679616675.db2.gz RPSRNSWJSTXUHJ-BDAKNGLRSA-N -1 0 363.403 -0.497 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1nc2cccnc2s1 ZINC001083526838 679617106 /nfs/dbraw/zinc/61/71/06/679617106.db2.gz MGRSVKWBJNKXKQ-BDAKNGLRSA-N -1 0 361.387 -0.510 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1[nH]cnc1C(F)(F)F ZINC001083526967 679617040 /nfs/dbraw/zinc/61/70/40/679617040.db2.gz UEHUSXNJCGYJET-RITPCOANSA-N -1 0 361.284 -0.773 20 0 FBADRM Cn1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c(C(F)F)n1 ZINC001083530585 679618870 /nfs/dbraw/zinc/61/88/70/679618870.db2.gz VFBZDJZPBVUYFQ-SFYZADRCSA-N -1 0 357.321 -0.844 20 0 FBADRM Cc1c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)sc2nccn12 ZINC001083532501 679619304 /nfs/dbraw/zinc/61/93/04/679619304.db2.gz SDWZQILKJMRPQD-BDAKNGLRSA-N -1 0 363.403 -0.497 20 0 FBADRM CCc1[nH]nc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c1Cl ZINC001083532687 679619532 /nfs/dbraw/zinc/61/95/32/679619532.db2.gz ACLWBRPYZWGGTP-SFYZADRCSA-N -1 0 355.786 -0.576 20 0 FBADRM COc1ccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)cc1F ZINC001083540412 679622720 /nfs/dbraw/zinc/62/27/20/679622720.db2.gz DTGBSKSDOFWNCC-MNOVXSKESA-N -1 0 351.338 -0.367 20 0 FBADRM Cc1c(Cl)cncc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083542145 679623764 /nfs/dbraw/zinc/62/37/64/679623764.db2.gz MZSWAOSQXGVARB-MNOVXSKESA-N -1 0 352.782 -0.158 20 0 FBADRM Cc1noc(C(C)C)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083542798 679624041 /nfs/dbraw/zinc/62/40/41/679624041.db2.gz QAMXRPFFSSWOFV-ZJUUUORDSA-N -1 0 350.379 -0.095 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1snnc1C1CC1 ZINC001083543081 679624966 /nfs/dbraw/zinc/62/49/66/679624966.db2.gz FIZAVAXSIGFWKL-SFYZADRCSA-N -1 0 351.392 -0.786 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cc(C(F)(F)F)no1 ZINC001083547648 836546355 /nfs/dbraw/zinc/54/63/55/836546355.db2.gz WHHQDGADTJMMQJ-RITPCOANSA-N -1 0 362.268 -0.508 20 0 FBADRM Cc1noc(C(F)F)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083558994 836648114 /nfs/dbraw/zinc/64/81/14/836648114.db2.gz MJGRNGRLLXXBOJ-RQJHMYQMSA-N -1 0 358.305 -0.281 20 0 FBADRM Cc1cc(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)ncc1Cl ZINC001083565852 836705256 /nfs/dbraw/zinc/70/52/56/836705256.db2.gz LOCZQVVTQBPOTE-NEPJUHHUSA-N -1 0 366.809 -0.229 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cc(C(F)F)ncn1 ZINC001083567572 836717060 /nfs/dbraw/zinc/71/70/60/836717060.db2.gz FJPRPWKZBUIQBK-BDAKNGLRSA-N -1 0 355.305 -0.787 20 0 FBADRM Cc1nc2sccn2c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083568703 836726688 /nfs/dbraw/zinc/72/66/88/836726688.db2.gz KEZKIYGGGQONCS-BDAKNGLRSA-N -1 0 363.403 -0.497 20 0 FBADRM Cc1nc(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c(C)s1 ZINC001083570197 836735435 /nfs/dbraw/zinc/73/54/35/836735435.db2.gz KKVSWUPMJBCPIG-MNOVXSKESA-N -1 0 352.420 -0.512 20 0 FBADRM COCc1sccc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083570242 836735246 /nfs/dbraw/zinc/73/52/46/836735246.db2.gz NLNGBFNJKLAORI-ZJUUUORDSA-N -1 0 353.404 -0.307 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ncoc1C(F)(F)F ZINC001083586018 836795352 /nfs/dbraw/zinc/79/53/52/836795352.db2.gz YSFMNVCQQWIZIW-RITPCOANSA-N -1 0 362.268 -0.508 20 0 FBADRM O=C(N[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)C[C@@H]1O)c1cn[nH]n1 ZINC001083598540 836805518 /nfs/dbraw/zinc/80/55/18/836805518.db2.gz ZJNLMQOGMZFJRA-ZJUUUORDSA-N -1 0 361.387 -0.510 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1n[nH]c(C2CC2)c1Cl ZINC001083603905 836811725 /nfs/dbraw/zinc/81/17/25/836811725.db2.gz VHDKYMGXOOSUAN-SFYZADRCSA-N -1 0 367.797 -0.261 20 0 FBADRM Cc1nn(C)c(Cl)c1CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083605803 836812926 /nfs/dbraw/zinc/81/29/26/836812926.db2.gz QTKAGMZCRIEHIR-ZJUUUORDSA-N -1 0 369.813 -0.890 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1coc(C(F)(F)F)n1 ZINC001083605853 836812598 /nfs/dbraw/zinc/81/25/98/836812598.db2.gz SMPYAICCXTYXHY-VDTYLAMSSA-N -1 0 362.268 -0.508 20 0 FBADRM Cc1cc(CN2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)cs1 ZINC001083606507 836813559 /nfs/dbraw/zinc/81/35/59/836813559.db2.gz BMRFYTYIVIIUIQ-ZJUUUORDSA-N -1 0 351.388 -0.372 20 0 FBADRM O=C(N[C@@H]1CN(Cc2cccc(Cl)c2)C[C@@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001083606537 836813692 /nfs/dbraw/zinc/81/36/92/836813692.db2.gz CVPLUMVWZGBTQA-MNOVXSKESA-N -1 0 365.777 -0.089 20 0 FBADRM O=C(N[C@@H]1CN(Cc2ccc(Cl)nc2)C[C@@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001083606542 836813675 /nfs/dbraw/zinc/81/36/75/836813675.db2.gz DAQVOJTUBBVXMP-BDAKNGLRSA-N -1 0 366.765 -0.694 20 0 FBADRM O=C(N[C@@H]1CN(CC=C(Cl)Cl)C[C@@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001083606620 836815350 /nfs/dbraw/zinc/81/53/50/836815350.db2.gz HOBSSXQMLVHIAY-RITPCOANSA-N -1 0 350.162 -0.623 20 0 FBADRM Cc1cnc([C@@H](C)N2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)o1 ZINC001083606639 836814699 /nfs/dbraw/zinc/81/46/99/836814699.db2.gz IIUZKASDJKUKLA-HLTSFMKQSA-N -1 0 350.335 -0.885 20 0 FBADRM Cc1cnc([C@H](C)N2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)o1 ZINC001083606640 836815231 /nfs/dbraw/zinc/81/52/31/836815231.db2.gz IIUZKASDJKUKLA-YIZRAAEISA-N -1 0 350.335 -0.885 20 0 FBADRM Cc1nc(CN2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)sc1C ZINC001083606657 836814164 /nfs/dbraw/zinc/81/41/64/836814164.db2.gz JJYPVFZMMBJPCF-BDAKNGLRSA-N -1 0 366.403 -0.669 20 0 FBADRM O=C(N[C@@H]1CN(Cc2sccc2Cl)C[C@@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001083606659 836813646 /nfs/dbraw/zinc/81/36/46/836813646.db2.gz JKRLGQWYYHTNBK-SFYZADRCSA-N -1 0 371.806 -0.027 20 0 FBADRM O=C(N[C@@H]1CN(Cc2cccc(Cl)n2)C[C@@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001083606695 836814338 /nfs/dbraw/zinc/81/43/38/836814338.db2.gz KYKGAOICWGWTOX-BDAKNGLRSA-N -1 0 366.765 -0.694 20 0 FBADRM Cc1ncsc1CN1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC001083606713 836814040 /nfs/dbraw/zinc/81/40/40/836814040.db2.gz MCVSCKHDGLRCLL-SFYZADRCSA-N -1 0 352.376 -0.977 20 0 FBADRM Cc1csc(CN2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)n1 ZINC001083606722 836814326 /nfs/dbraw/zinc/81/43/26/836814326.db2.gz MLZBWMVUCKKLKV-SFYZADRCSA-N -1 0 352.376 -0.977 20 0 FBADRM O=C(N[C@@H]1CN(Cc2ccc(Cl)s2)C[C@@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001083606742 836813718 /nfs/dbraw/zinc/81/37/18/836813718.db2.gz NKGGFBPIYATLNK-SFYZADRCSA-N -1 0 371.806 -0.027 20 0 FBADRM O=C(N[C@@H]1CN(C/C(Cl)=C\Cl)C[C@@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001083606747 836814227 /nfs/dbraw/zinc/81/42/27/836814227.db2.gz NOFXTWZRDLAZOG-FASBUVPQSA-N -1 0 350.162 -0.623 20 0 FBADRM O=C(N[C@@H]1CN(C/C(Cl)=C/Cl)C[C@@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001083606748 836813928 /nfs/dbraw/zinc/81/39/28/836813928.db2.gz NOFXTWZRDLAZOG-GRWSFPBGSA-N -1 0 350.162 -0.623 20 0 FBADRM O=C(N[C@@H]1CN(Cc2ccccc2Cl)C[C@@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001083606786 836813583 /nfs/dbraw/zinc/81/35/83/836813583.db2.gz QCJVNUKTRYIVQQ-MNOVXSKESA-N -1 0 365.777 -0.089 20 0 FBADRM O=C(N[C@@H]1CN(Cc2ccnc(Cl)c2)C[C@@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001083606794 836813885 /nfs/dbraw/zinc/81/38/85/836813885.db2.gz QQEOJXFCMFMHFO-BDAKNGLRSA-N -1 0 366.765 -0.694 20 0 FBADRM Cc1nc(C)c(CN2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)s1 ZINC001083606830 836813726 /nfs/dbraw/zinc/81/37/26/836813726.db2.gz SALYFJWVBCIMLE-BDAKNGLRSA-N -1 0 366.403 -0.669 20 0 FBADRM Cc1ncc(CN2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)s1 ZINC001083606872 836813472 /nfs/dbraw/zinc/81/34/72/836813472.db2.gz UKWBLLAMRVWLQU-BDAKNGLRSA-N -1 0 352.376 -0.977 20 0 FBADRM O=C(N[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001083606889 836814067 /nfs/dbraw/zinc/81/40/67/836814067.db2.gz VKKHFHBENODIKS-MNOVXSKESA-N -1 0 365.777 -0.089 20 0 FBADRM O=C(N[C@@H]1CN(Cc2ccncc2Cl)C[C@@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001083606915 836813999 /nfs/dbraw/zinc/81/39/99/836813999.db2.gz WHSTZKGPZAAZPU-ZJUUUORDSA-N -1 0 366.765 -0.694 20 0 FBADRM Cc1nc(CCN2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)cs1 ZINC001083606924 836813891 /nfs/dbraw/zinc/81/38/91/836813891.db2.gz WUBGPOGBXMYTCZ-ZJUUUORDSA-N -1 0 366.403 -0.935 20 0 FBADRM Cc1nsc(C)c1CN1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC001083606935 836813506 /nfs/dbraw/zinc/81/35/06/836813506.db2.gz XIVIHDTVCYJIEH-ZJUUUORDSA-N -1 0 366.403 -0.669 20 0 FBADRM Cc1nc(CN2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)c(C)s1 ZINC001083606986 836815000 /nfs/dbraw/zinc/81/50/00/836815000.db2.gz ZOOPDPLWIJASSM-ZJUUUORDSA-N -1 0 366.403 -0.669 20 0 FBADRM Cc1cnc(CN2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)s1 ZINC001083606992 836815016 /nfs/dbraw/zinc/81/50/16/836815016.db2.gz ZWXBCHHGCWOXCR-SFYZADRCSA-N -1 0 352.376 -0.977 20 0 FBADRM Cc1cc(CN2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)sn1 ZINC001083607102 836815272 /nfs/dbraw/zinc/81/52/72/836815272.db2.gz FWHVONBCJSBYMS-BDAKNGLRSA-N -1 0 352.376 -0.977 20 0 FBADRM Cc1nc(CN2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)cs1 ZINC001083608310 836816772 /nfs/dbraw/zinc/81/67/72/836816772.db2.gz PDOYVFOCWOSUPE-BDAKNGLRSA-N -1 0 352.376 -0.977 20 0 FBADRM CCc1nc(CN2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)cs1 ZINC001083608484 836815960 /nfs/dbraw/zinc/81/59/60/836815960.db2.gz XRCNDOYWJLZGDA-BDAKNGLRSA-N -1 0 366.403 -0.723 20 0 FBADRM COCc1csc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c1 ZINC001083608846 836816281 /nfs/dbraw/zinc/81/62/81/836816281.db2.gz QNYHOJVVJGXQPK-ZJUUUORDSA-N -1 0 353.404 -0.307 20 0 FBADRM COc1ccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c(F)c1 ZINC001083611873 836817980 /nfs/dbraw/zinc/81/79/80/836817980.db2.gz PMAUPRAYLSTKPP-NEPJUHHUSA-N -1 0 351.338 -0.367 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cc(Br)c[nH]1 ZINC001083616207 836822878 /nfs/dbraw/zinc/82/28/78/836822878.db2.gz CSQUSEXFORYPKM-BDAKNGLRSA-N -1 0 371.195 -0.424 20 0 FBADRM CC(C)(C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CCOCC1 ZINC001083625059 836830843 /nfs/dbraw/zinc/83/08/43/836830843.db2.gz LVJGXYUWEXVEFB-NEPJUHHUSA-N -1 0 353.423 -0.376 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cccnc1C(F)F ZINC001083628658 836836457 /nfs/dbraw/zinc/83/64/57/836836457.db2.gz JBGAVZQJHURFKW-BDAKNGLRSA-N -1 0 354.317 -0.182 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1nc2cnccc2s1 ZINC001083629117 836835903 /nfs/dbraw/zinc/83/59/03/836835903.db2.gz DCSJVRGXNPNEHP-BDAKNGLRSA-N -1 0 361.387 -0.510 20 0 FBADRM Cc1sc(Cl)nc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083630169 836837122 /nfs/dbraw/zinc/83/71/22/836837122.db2.gz GTQRSHSQCFAAGV-RQJHMYQMSA-N -1 0 358.811 -0.096 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1scnc1C(F)F ZINC001083633408 836838296 /nfs/dbraw/zinc/83/82/96/836838296.db2.gz WQBSSSAKJCXZNV-RITPCOANSA-N -1 0 360.346 -0.121 20 0 FBADRM CC(C)(C)c1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)no1 ZINC001083633752 836839444 /nfs/dbraw/zinc/83/94/44/836839444.db2.gz MSDOWDVJDHBKRC-ZJUUUORDSA-N -1 0 350.379 -0.229 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001083635740 836840690 /nfs/dbraw/zinc/84/06/90/836840690.db2.gz JQDSKWISTZKVON-LOWDOPEQSA-N -1 0 351.407 -0.766 20 0 FBADRM Cn1nc(C(F)F)cc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083639044 836843531 /nfs/dbraw/zinc/84/35/31/836843531.db2.gz VWFSCLKAPPKSKE-APPZFPTMSA-N -1 0 357.321 -0.844 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1nc2c(s1)CCC2 ZINC001083642474 836847198 /nfs/dbraw/zinc/84/71/98/836847198.db2.gz KQCNMPDJGXHRKF-BDAKNGLRSA-N -1 0 350.404 -0.569 20 0 FBADRM Cn1nc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)cc1C(F)F ZINC001083642795 836846511 /nfs/dbraw/zinc/84/65/11/836846511.db2.gz BAQLBWNMOSXAGH-APPZFPTMSA-N -1 0 357.321 -0.844 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1conc1C(F)(F)F ZINC001083643335 836848284 /nfs/dbraw/zinc/84/82/84/836848284.db2.gz CYGXQAOHIVLUHI-RQJHMYQMSA-N -1 0 362.268 -0.508 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1c[nH]c(Br)c1 ZINC001083650475 836851853 /nfs/dbraw/zinc/85/18/53/836851853.db2.gz XZZQLUIKEBXZLN-SFYZADRCSA-N -1 0 371.195 -0.424 20 0 FBADRM Cc1nc(C)c(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)s1 ZINC001083655291 836855266 /nfs/dbraw/zinc/85/52/66/836855266.db2.gz HRTFUZIRTYZFAQ-ZJUUUORDSA-N -1 0 352.420 -0.512 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cnc(CC2CC2)s1 ZINC001083666494 836860380 /nfs/dbraw/zinc/86/03/80/836860380.db2.gz QUNJPCMXJNCQCU-ZJUUUORDSA-N -1 0 364.431 -0.106 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ocnc1C(F)(F)F ZINC001083668827 836861546 /nfs/dbraw/zinc/86/15/46/836861546.db2.gz IHQPCQWWOWTUCT-RITPCOANSA-N -1 0 362.268 -0.508 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1(C2CC2)CCOCC1 ZINC001083669997 836862009 /nfs/dbraw/zinc/86/20/09/836862009.db2.gz DNROGXGFXGVYHS-NEPJUHHUSA-N -1 0 351.407 -0.622 20 0 FBADRM CC(C)n1ncc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c1Cl ZINC001083675269 836866546 /nfs/dbraw/zinc/86/65/46/836866546.db2.gz UARKAOUMNWEZSA-ZJUUUORDSA-N -1 0 369.813 -0.084 20 0 FBADRM Cc1nn(C)c(Cl)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083683889 836971449 /nfs/dbraw/zinc/97/14/49/836971449.db2.gz UWYODGJDAGLFJH-SFYZADRCSA-N -1 0 355.786 -0.819 20 0 FBADRM COc1ccc(F)cc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083684580 836976365 /nfs/dbraw/zinc/97/63/65/836976365.db2.gz APKRNWJNQGBCLT-MNOVXSKESA-N -1 0 351.338 -0.367 20 0 FBADRM Cc1nc(CN2C[C@@H](NC(=O)c3cnc([O-])n(C)c3=O)[C@@H](O)C2)cs1 ZINC001083693404 836990544 /nfs/dbraw/zinc/99/05/44/836990544.db2.gz HKDIOEJHIAXSEG-NEPJUHHUSA-N -1 0 365.415 -0.774 20 0 FBADRM Cc1cc(CN2C[C@@H](NC(=O)c3cnc([O-])n(C)c3=O)[C@@H](O)C2)cs1 ZINC001083693674 836991957 /nfs/dbraw/zinc/99/19/57/836991957.db2.gz PXHISMFEYBQEIB-OLZOCXBDSA-N -1 0 364.427 -0.169 20 0 FBADRM Cc1ncc(CN2C[C@@H](NC(=O)c3cnc([O-])n(C)c3=O)[C@@H](O)C2)s1 ZINC001083693700 836991768 /nfs/dbraw/zinc/99/17/68/836991768.db2.gz QOQBEYWGYSAHQE-NEPJUHHUSA-N -1 0 365.415 -0.774 20 0 FBADRM Cc1cc(CN2C[C@@H](NC(=O)c3cnc([O-])n(C)c3=O)[C@@H](O)C2)sn1 ZINC001083693726 836991737 /nfs/dbraw/zinc/99/17/37/836991737.db2.gz RVLMKHXDFOTOIX-NEPJUHHUSA-N -1 0 365.415 -0.774 20 0 FBADRM Cc1cnc(CN2C[C@@H](NC(=O)c3cnc([O-])n(C)c3=O)[C@@H](O)C2)s1 ZINC001083694689 836992784 /nfs/dbraw/zinc/99/27/84/836992784.db2.gz NHWHQNLHCIAPPV-MNOVXSKESA-N -1 0 365.415 -0.774 20 0 FBADRM Cc1csc(CN2C[C@@H](NC(=O)c3cnc([O-])n(C)c3=O)[C@@H](O)C2)n1 ZINC001083694703 836993235 /nfs/dbraw/zinc/99/32/35/836993235.db2.gz NZEAMOPXDFKTEO-MNOVXSKESA-N -1 0 365.415 -0.774 20 0 FBADRM Cc1ncsc1CN1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](O)C1 ZINC001083694857 836993112 /nfs/dbraw/zinc/99/31/12/836993112.db2.gz VSIHPJWWKNTJGG-MNOVXSKESA-N -1 0 365.415 -0.774 20 0 FBADRM O=C(Cc1c(F)cccc1F)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083736491 837105200 /nfs/dbraw/zinc/10/52/00/837105200.db2.gz FZVKGOWVHQAVJO-NEPJUHHUSA-N -1 0 353.329 -0.308 20 0 FBADRM O=C(Cc1cc(F)ccc1F)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083736595 837105637 /nfs/dbraw/zinc/10/56/37/837105637.db2.gz LEERPNZPDHZUGW-NEPJUHHUSA-N -1 0 353.329 -0.308 20 0 FBADRM O=C(Cc1ccc(F)c(F)c1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083737044 837106804 /nfs/dbraw/zinc/10/68/04/837106804.db2.gz HSBXVDRXDCLPDW-NEPJUHHUSA-N -1 0 353.329 -0.308 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cc(F)c(F)cc1F ZINC001083737618 837107792 /nfs/dbraw/zinc/10/77/92/837107792.db2.gz NEDMDWISLKUIFA-MNOVXSKESA-N -1 0 357.292 -0.097 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccc(F)c(F)c1F ZINC001083737881 837107446 /nfs/dbraw/zinc/10/74/46/837107446.db2.gz AGUMITJYJPHUQW-BDAKNGLRSA-N -1 0 357.292 -0.097 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1c(F)ccc(F)c1F ZINC001083739030 837114362 /nfs/dbraw/zinc/11/43/62/837114362.db2.gz LEYLFMBKTWZOJI-BDAKNGLRSA-N -1 0 357.292 -0.097 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1c(F)cc(F)cc1F ZINC001083743188 837128464 /nfs/dbraw/zinc/12/84/64/837128464.db2.gz CNYUNIZBTITIFN-ZJUUUORDSA-N -1 0 357.292 -0.097 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ncsc1C1CC1 ZINC001083776182 837199977 /nfs/dbraw/zinc/19/99/77/837199977.db2.gz GHAARNQCMGVOAW-BDAKNGLRSA-N -1 0 350.404 -0.181 20 0 FBADRM O=C(Cc1ccncc1Cl)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083781289 837217576 /nfs/dbraw/zinc/21/75/76/837217576.db2.gz AZLFSFLVWGXNJM-MNOVXSKESA-N -1 0 352.782 -0.537 20 0 FBADRM COc1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)ccc1F ZINC001083797406 837432764 /nfs/dbraw/zinc/43/27/64/837432764.db2.gz BGGIMGNNPSKBFI-MNOVXSKESA-N -1 0 351.338 -0.367 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cc(F)c(F)c(F)c1 ZINC001083797967 837477002 /nfs/dbraw/zinc/47/70/02/837477002.db2.gz CEQSJLINXKBATJ-ZJUUUORDSA-N -1 0 357.292 -0.097 20 0 FBADRM Cn1[nH]c(CN2C[C@@H](NC(=O)c3cc(F)ccc3Cl)[C@@H](O)C2)nc1=O ZINC001083805217 837519739 /nfs/dbraw/zinc/51/97/39/837519739.db2.gz DNKHKURCMGFRGM-NEPJUHHUSA-N -1 0 369.784 -0.124 20 0 FBADRM Cn1[nH]c(CN2C[C@@H](NC(=O)c3ccncc3Cl)[C@@H](O)C2)nc1=O ZINC001083805794 837519835 /nfs/dbraw/zinc/51/98/35/837519835.db2.gz BGONQHSAIJZRII-MNOVXSKESA-N -1 0 352.782 -0.868 20 0 FBADRM Cn1[nH]c(CN2C[C@@H](NC(=O)c3cccc(F)c3Cl)[C@@H](O)C2)nc1=O ZINC001083809425 837521918 /nfs/dbraw/zinc/52/19/18/837521918.db2.gz LBLMLKFDZVDLCO-MNOVXSKESA-N -1 0 369.784 -0.124 20 0 FBADRM O=C(Cc1cccc(F)c1F)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083816476 837548912 /nfs/dbraw/zinc/54/89/12/837548912.db2.gz SXYIWQZQOCEBHN-MNOVXSKESA-N -1 0 353.329 -0.308 20 0 FBADRM Cc1c(Cl)c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)nn1C ZINC001083823240 837579702 /nfs/dbraw/zinc/57/97/02/837579702.db2.gz NUUCKFMJOVWZJK-SFYZADRCSA-N -1 0 355.786 -0.819 20 0 FBADRM COc1cc(C)sc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083830945 837591001 /nfs/dbraw/zinc/59/10/01/837591001.db2.gz OTLBHKKSZQTTTL-BDAKNGLRSA-N -1 0 353.404 -0.136 20 0 FBADRM Cc1ncc(Cl)c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)n1 ZINC001083835019 837595169 /nfs/dbraw/zinc/59/51/69/837595169.db2.gz GMCUUVBGAXNTRB-BDAKNGLRSA-N -1 0 353.770 -0.763 20 0 FBADRM Cc1sccc1CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O ZINC001083835987 837596152 /nfs/dbraw/zinc/59/61/52/837596152.db2.gz CAHMIJVODHGEOP-NEPJUHHUSA-N -1 0 351.432 -0.618 20 0 FBADRM O=C(Cc1csc(C2CC2)n1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083836506 837597989 /nfs/dbraw/zinc/59/79/89/837597989.db2.gz IBQZAXZALFKRIG-MNOVXSKESA-N -1 0 364.431 -0.252 20 0 FBADRM Cc1nc(N(C)C)sc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083837950 837664236 /nfs/dbraw/zinc/66/42/36/837664236.db2.gz XTLVIEKBVMSBSE-BDAKNGLRSA-N -1 0 367.435 -0.684 20 0 FBADRM CC[C@H](C)c1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)on1 ZINC001083840542 837668614 /nfs/dbraw/zinc/66/86/14/837668614.db2.gz OXAMZOYXJNSQFK-GDPRMGEGSA-N -1 0 350.379 -0.013 20 0 FBADRM CC[C@@H](C)c1cc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)on1 ZINC001083840543 837668346 /nfs/dbraw/zinc/66/83/46/837668346.db2.gz OXAMZOYXJNSQFK-IEBDPFPHSA-N -1 0 350.379 -0.013 20 0 FBADRM O=C(N[C@@H]1CN(CCC(F)(F)F)C[C@@H]1O)c1c[n-]n2c1nccc2=O ZINC001083841014 837668534 /nfs/dbraw/zinc/66/85/34/837668534.db2.gz AXAILIAMGPDWQK-ZJUUUORDSA-N -1 0 359.308 -0.250 20 0 FBADRM O=C(N[C@@H]1CN(Cc2nccs2)C[C@@H]1O)c1c[n-]n2c1nccc2=O ZINC001083841048 837668693 /nfs/dbraw/zinc/66/86/93/837668693.db2.gz BYRHGJUXNJCGGZ-MNOVXSKESA-N -1 0 360.399 -0.546 20 0 FBADRM O=C(N[C@@H]1CN(Cc2cscn2)C[C@@H]1O)c1c[n-]n2c1nccc2=O ZINC001083841539 837668207 /nfs/dbraw/zinc/66/82/07/837668207.db2.gz BFBMIMXPIZZHGQ-NEPJUHHUSA-N -1 0 360.399 -0.546 20 0 FBADRM O=C(N[C@@H]1CN(Cc2cncs2)C[C@@H]1O)c1c[n-]n2c1nccc2=O ZINC001083841804 837668252 /nfs/dbraw/zinc/66/82/52/837668252.db2.gz LPUHJZMRRGCYIR-NEPJUHHUSA-N -1 0 360.399 -0.546 20 0 FBADRM O=C(N[C@@H]1CN(Cc2ccns2)C[C@@H]1O)c1c[n-]n2c1nccc2=O ZINC001083842081 837668743 /nfs/dbraw/zinc/66/87/43/837668743.db2.gz VRLIWRHXBVATHC-NEPJUHHUSA-N -1 0 360.399 -0.546 20 0 FBADRM COCc1ncsc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083844704 837670936 /nfs/dbraw/zinc/67/09/36/837670936.db2.gz RDGIRIGBFGDKDU-APPZFPTMSA-N -1 0 354.392 -0.912 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1scnc1C1CC1 ZINC001083844786 837672059 /nfs/dbraw/zinc/67/20/59/837672059.db2.gz XCPWTMTZPWZKPV-BDAKNGLRSA-N -1 0 350.404 -0.181 20 0 FBADRM Cc1nc(C(C)C)oc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083845988 837673387 /nfs/dbraw/zinc/67/33/87/837673387.db2.gz BGSJNAUIAQDMKO-ZJUUUORDSA-N -1 0 350.379 -0.095 20 0 FBADRM Cc1noc(Cl)c1CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083859380 837723875 /nfs/dbraw/zinc/72/38/75/837723875.db2.gz UCUHPVMNSSZJSH-BDAKNGLRSA-N -1 0 356.770 -0.636 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cc(C(F)(F)F)n[nH]1 ZINC001083862159 837743988 /nfs/dbraw/zinc/74/39/88/837743988.db2.gz SWAABSDDQSTXRN-RQJHMYQMSA-N -1 0 361.284 -0.773 20 0 FBADRM Cc1noc(C)c1[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083862777 837744409 /nfs/dbraw/zinc/74/44/09/837744409.db2.gz VCRGYNYNIVZAFP-ONOSFVFSSA-N -1 0 350.379 -0.420 20 0 FBADRM Cc1noc(C)c1[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083862778 837744251 /nfs/dbraw/zinc/74/42/51/837744251.db2.gz VCRGYNYNIVZAFP-XROYCOCOSA-N -1 0 350.379 -0.420 20 0 FBADRM O=C(N[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)C[C@@H]1O)c1ncn[nH]1 ZINC001083873575 837787718 /nfs/dbraw/zinc/78/77/18/837787718.db2.gz GKCDDSARAAICJB-BDAKNGLRSA-N -1 0 361.387 -0.510 20 0 FBADRM CC(C)c1nnsc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083880515 837795778 /nfs/dbraw/zinc/79/57/78/837795778.db2.gz KEXLYICBOSAFAA-SFYZADRCSA-N -1 0 353.408 -0.540 20 0 FBADRM COc1cccc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c1F ZINC001083882095 837798575 /nfs/dbraw/zinc/79/85/75/837798575.db2.gz JVCMFJISAKFVLD-ZJUUUORDSA-N -1 0 351.338 -0.367 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cccc2nsnc21 ZINC001083906263 837842880 /nfs/dbraw/zinc/84/28/80/837842880.db2.gz AAJYCOCTPLONAO-ZJUUUORDSA-N -1 0 361.387 -0.510 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1scc2c1OCCO2 ZINC001083913396 837847037 /nfs/dbraw/zinc/84/70/37/837847037.db2.gz UZRWAMSVKZNFDR-SFYZADRCSA-N -1 0 367.387 -0.682 20 0 FBADRM CCc1nn(C)c(Cl)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083929731 837861349 /nfs/dbraw/zinc/86/13/49/837861349.db2.gz IWJMFBQFVLDHCQ-BDAKNGLRSA-N -1 0 369.813 -0.565 20 0 FBADRM CC(C)(C)c1ocnc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083931148 837864259 /nfs/dbraw/zinc/86/42/59/837864259.db2.gz ICSFEEONEKPIJP-BDAKNGLRSA-N -1 0 350.379 -0.229 20 0 FBADRM COCc1nc(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)cs1 ZINC001083931933 837865040 /nfs/dbraw/zinc/86/50/40/837865040.db2.gz ITFLWFZEYWZJSU-ZJUUUORDSA-N -1 0 368.419 -0.983 20 0 FBADRM Cn1ncc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c1C(F)F ZINC001083939530 838972303 /nfs/dbraw/zinc/97/23/03/838972303.db2.gz JKUUKEFCPOSWDD-SFYZADRCSA-N -1 0 357.321 -0.844 20 0 FBADRM O=C(N[C@@H]1CN(Cc2nncs2)C[C@@H]1O)c1ccc2oc(=O)nc-2[n-]1 ZINC001083950255 838978529 /nfs/dbraw/zinc/97/85/29/838978529.db2.gz BZPKHVZUZIPJAB-BDAKNGLRSA-N -1 0 362.371 -0.245 20 0 FBADRM O=C(N[C@@H]1CN(Cc2cnns2)C[C@@H]1O)c1ccc2oc(=O)nc-2[n-]1 ZINC001083950374 838977361 /nfs/dbraw/zinc/97/73/61/838977361.db2.gz HAZKROGOMHTCTK-ZJUUUORDSA-N -1 0 362.371 -0.245 20 0 FBADRM O=C(N[C@@H]1CN(Cc2cnsn2)C[C@@H]1O)c1ccc2oc(=O)nc-2[n-]1 ZINC001083950511 838978622 /nfs/dbraw/zinc/97/86/22/838978622.db2.gz MTXOMKGTLLLWDT-ZJUUUORDSA-N -1 0 362.371 -0.245 20 0 FBADRM O=C(N[C@@H]1CN(Cc2csnn2)C[C@@H]1O)c1ccc2oc(=O)nc-2[n-]1 ZINC001083950653 838979579 /nfs/dbraw/zinc/97/95/79/838979579.db2.gz UVNNKOVMAYTAOJ-ZJUUUORDSA-N -1 0 362.371 -0.245 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CC2(C1)CCOCC2 ZINC001083951343 838979321 /nfs/dbraw/zinc/97/93/21/838979321.db2.gz UIBUYPXAUAOQSV-NEPJUHHUSA-N -1 0 351.407 -0.622 20 0 FBADRM COCc1ccsc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001083952655 838979688 /nfs/dbraw/zinc/97/96/88/838979688.db2.gz SULKETDMHAGJSD-ZJUUUORDSA-N -1 0 353.404 -0.307 20 0 FBADRM CCCc1nc(C)c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)o1 ZINC001083956246 838979369 /nfs/dbraw/zinc/97/93/69/838979369.db2.gz FIANLCBURLBVRR-ZJUUUORDSA-N -1 0 350.379 -0.266 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cc2c(s1)CCOC2 ZINC001083965916 838988531 /nfs/dbraw/zinc/98/85/31/838988531.db2.gz AXYIGLBLCDDNQL-ZJUUUORDSA-N -1 0 365.415 -0.380 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cnc(C2CC2)s1 ZINC001083978291 838981903 /nfs/dbraw/zinc/98/19/03/838981903.db2.gz KOTWMUJTOZIQIH-BDAKNGLRSA-N -1 0 350.404 -0.181 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2ccncc2Cl)C[C@@H]1O ZINC001083999224 838984352 /nfs/dbraw/zinc/98/43/52/838984352.db2.gz GAYCXLWJSGORIO-MNOVXSKESA-N -1 0 368.781 -0.901 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2cccc(Cl)n2)C[C@@H]1O ZINC001083999243 838984154 /nfs/dbraw/zinc/98/41/54/838984154.db2.gz HCYQMTRYGZWVMU-ZJUUUORDSA-N -1 0 368.781 -0.901 20 0 FBADRM Cc1nc(CN2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H](O)C2)sc1C ZINC001083999294 838984531 /nfs/dbraw/zinc/98/45/31/838984531.db2.gz JNVWOUKSPBMSRH-ZJUUUORDSA-N -1 0 368.419 -0.876 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2ccnc(Cl)c2)C[C@@H]1O ZINC001083999305 838983987 /nfs/dbraw/zinc/98/39/87/838983987.db2.gz JYPXPXDJBUFHPJ-ZJUUUORDSA-N -1 0 368.781 -0.901 20 0 FBADRM Cc1nc(C)c(CN2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H](O)C2)s1 ZINC001083999306 838984228 /nfs/dbraw/zinc/98/42/28/838984228.db2.gz JYXMOQYOMQIXPP-ZJUUUORDSA-N -1 0 368.419 -0.876 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2ccc(Cl)nc2)C[C@@H]1O ZINC001083999399 838983998 /nfs/dbraw/zinc/98/39/98/838983998.db2.gz NSPBPKSCZGVBCF-ZJUUUORDSA-N -1 0 368.781 -0.901 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2ccc(F)cc2)C[C@@H]1O ZINC001083999425 838984547 /nfs/dbraw/zinc/98/45/47/838984547.db2.gz OURLZLHLFVKQHN-NEPJUHHUSA-N -1 0 351.338 -0.810 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2ccccc2F)C[C@@H]1O ZINC001083999629 838999895 /nfs/dbraw/zinc/99/98/95/838999895.db2.gz ZSUTVUBUOSAAGX-NEPJUHHUSA-N -1 0 351.338 -0.810 20 0 FBADRM Cc1nsc(C)c1CN1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC001084000284 838999492 /nfs/dbraw/zinc/99/94/92/838999492.db2.gz VRNOAXQGLCLRMZ-MNOVXSKESA-N -1 0 368.419 -0.876 20 0 FBADRM CCc1nc(CN2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H](O)C2)cs1 ZINC001084000653 839000017 /nfs/dbraw/zinc/00/00/17/839000017.db2.gz IYMMIMDUPQPHSG-ZJUUUORDSA-N -1 0 368.419 -0.930 20 0 FBADRM Cc1nc(CN2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H](O)C2)c(C)s1 ZINC001084000671 839000024 /nfs/dbraw/zinc/00/00/24/839000024.db2.gz KBLXPJODAILOKD-MNOVXSKESA-N -1 0 368.419 -0.876 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2ccccc2Cl)C[C@@H]1O ZINC001084000744 838999889 /nfs/dbraw/zinc/99/98/89/838999889.db2.gz NUYJUYATSUXQLW-NEPJUHHUSA-N -1 0 367.793 -0.296 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001084000812 838999230 /nfs/dbraw/zinc/99/92/30/838999230.db2.gz QOBAAWOGXJRSCP-NEPJUHHUSA-N -1 0 367.793 -0.296 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2cccc(Cl)c2)C[C@@H]1O ZINC001084000813 838999082 /nfs/dbraw/zinc/99/90/82/838999082.db2.gz QOCQXTGHDZGHDA-NEPJUHHUSA-N -1 0 367.793 -0.296 20 0 FBADRM Cc1cc(CN2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H](O)C2)cs1 ZINC001084000844 838999840 /nfs/dbraw/zinc/99/98/40/838999840.db2.gz RUFJVYGAHKIVRD-MNOVXSKESA-N -1 0 353.404 -0.579 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(CC=C(Cl)Cl)C[C@@H]1O ZINC001084000861 838999930 /nfs/dbraw/zinc/99/99/30/838999930.db2.gz STAIZZBFLPBMAE-RQJHMYQMSA-N -1 0 352.178 -0.830 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(C/C(Cl)=C/Cl)C[C@@H]1O ZINC001084000957 838999804 /nfs/dbraw/zinc/99/98/04/838999804.db2.gz YKQTZJJYRNWJNX-KFZRNUBSSA-N -1 0 352.178 -0.830 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(C/C(Cl)=C\Cl)C[C@@H]1O ZINC001084000958 838999602 /nfs/dbraw/zinc/99/96/02/838999602.db2.gz YKQTZJJYRNWJNX-NQWRHGFTSA-N -1 0 352.178 -0.830 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2cccc(F)c2)C[C@@H]1O ZINC001084000983 838999735 /nfs/dbraw/zinc/99/97/35/838999735.db2.gz ZRXWRXOOQUNJNB-NEPJUHHUSA-N -1 0 351.338 -0.810 20 0 FBADRM COCc1nc(C)c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)s1 ZINC001084001773 839001259 /nfs/dbraw/zinc/00/12/59/839001259.db2.gz WSRCMPGZXSGDIN-BDAKNGLRSA-N -1 0 368.419 -0.603 20 0 FBADRM Cc1c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c(Cl)nn1C ZINC001084004492 839003041 /nfs/dbraw/zinc/00/30/41/839003041.db2.gz NZARQZBDBPHYKM-SFYZADRCSA-N -1 0 355.786 -0.819 20 0 FBADRM O=C(Cc1csc2nccn12)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001084062511 839027996 /nfs/dbraw/zinc/02/79/96/839027996.db2.gz USYIJOTUNPBKIO-ZJUUUORDSA-N -1 0 363.403 -0.877 20 0 FBADRM CCn1cc(Cl)cc1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001084064227 839028557 /nfs/dbraw/zinc/02/85/57/839028557.db2.gz HYPUGMQHKIXXNE-KOLCDFICSA-N -1 0 354.798 -0.040 20 0 FBADRM Cc1nn(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c(C)c1Cl ZINC001084066138 839029083 /nfs/dbraw/zinc/02/90/83/839029083.db2.gz YXTCQFCQZVQZFJ-ZJUUUORDSA-N -1 0 369.813 -0.661 20 0 FBADRM CCn1nc(C)c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c1Cl ZINC001084072010 839034684 /nfs/dbraw/zinc/03/46/84/839034684.db2.gz XJVVQRZGGTZYMR-BDAKNGLRSA-N -1 0 369.813 -0.336 20 0 FBADRM COc1ncc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)cc1Cl ZINC001084083169 839032871 /nfs/dbraw/zinc/03/28/71/839032871.db2.gz ATOKVWZLHLMABF-ZJUUUORDSA-N -1 0 368.781 -0.458 20 0 FBADRM CCc1nc(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)cs1 ZINC001084087401 839044751 /nfs/dbraw/zinc/04/47/51/839044751.db2.gz LCOHAEGWHFJTJO-ZJUUUORDSA-N -1 0 352.420 -0.567 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C12CC(C(F)(F)F)(C1)C2 ZINC001084095740 839049579 /nfs/dbraw/zinc/04/95/79/839049579.db2.gz NJLQLBLMPZEXIH-JFGCWXGISA-N -1 0 361.324 -0.096 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1csc(C2CC2)n1 ZINC001084111349 839053750 /nfs/dbraw/zinc/05/37/50/839053750.db2.gz DUUYBRJWMDSVTQ-SCZZXKLOSA-N -1 0 350.404 -0.181 20 0 FBADRM COCc1nc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)cs1 ZINC001084112959 839037887 /nfs/dbraw/zinc/03/78/87/839037887.db2.gz RUJQQSNOMYTBFC-APPZFPTMSA-N -1 0 354.392 -0.912 20 0 FBADRM COCc1ncc(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)s1 ZINC001084124129 839052121 /nfs/dbraw/zinc/05/21/21/839052121.db2.gz MHWGGDIZDQIRAH-SFYZADRCSA-N -1 0 354.392 -0.912 20 0 FBADRM COC1CCC(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)CC1 ZINC001084124865 839042135 /nfs/dbraw/zinc/04/21/35/839042135.db2.gz PTJFFBWWOQPUBX-TUUUFIMRSA-N -1 0 353.423 -0.233 20 0 FBADRM O=C([C@H]1CCCCS1(=O)=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084403145 839076481 /nfs/dbraw/zinc/07/64/81/839076481.db2.gz HWKRTRSNQYYTGD-IJLUTSLNSA-N -1 0 369.447 -0.490 20 0 FBADRM O=C([C@@H]1CCCCS1(=O)=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084403146 839076288 /nfs/dbraw/zinc/07/62/88/839076288.db2.gz HWKRTRSNQYYTGD-UTUOFQBUSA-N -1 0 369.447 -0.490 20 0 FBADRM C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)O1 ZINC001084447565 839077114 /nfs/dbraw/zinc/07/71/14/839077114.db2.gz UAIZFYCQLTTZST-FDYHWXHSSA-N -1 0 350.423 -0.738 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084470394 839080133 /nfs/dbraw/zinc/08/01/33/839080133.db2.gz IESAALRQSOPIDX-JHJVBQTASA-N -1 0 350.423 -0.736 20 0 FBADRM CCN1CCOC[C@H]1C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084470395 839080285 /nfs/dbraw/zinc/08/02/85/839080285.db2.gz IESAALRQSOPIDX-UPJWGTAASA-N -1 0 350.423 -0.736 20 0 FBADRM Cc1nnc(CN2CC[C@@H]3CN(C(=O)c4n[nH]c(=O)[n-]c4=O)[C@@H]3C2)s1 ZINC001084487707 839081050 /nfs/dbraw/zinc/08/10/50/839081050.db2.gz WHINZBRWUQVKCO-RKDXNWHRSA-N -1 0 363.403 -0.211 20 0 FBADRM Cc1nnsc1CN1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001084487762 839081693 /nfs/dbraw/zinc/08/16/93/839081693.db2.gz ZCBIFIROIKSPMZ-RKDXNWHRSA-N -1 0 363.403 -0.211 20 0 FBADRM O=C(C[C@H]1CCS(=O)(=O)C1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084496274 839084169 /nfs/dbraw/zinc/08/41/69/839084169.db2.gz ADIJHZXVIZAVOR-IJLUTSLNSA-N -1 0 369.447 -0.632 20 0 FBADRM O=C(C[C@@H]1CCS(=O)(=O)C1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084496275 839083979 /nfs/dbraw/zinc/08/39/79/839083979.db2.gz ADIJHZXVIZAVOR-QJPTWQEYSA-N -1 0 369.447 -0.632 20 0 FBADRM O=C(C[C@@H]1CCCS1(=O)=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084550177 839086727 /nfs/dbraw/zinc/08/67/27/839086727.db2.gz SHBJFEWVNHAOCF-GRYCIOLGSA-N -1 0 369.447 -0.490 20 0 FBADRM O=C(C[C@H]1CCCS1(=O)=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084550178 839087062 /nfs/dbraw/zinc/08/70/62/839087062.db2.gz SHBJFEWVNHAOCF-IJLUTSLNSA-N -1 0 369.447 -0.490 20 0 FBADRM O=C([C@H]1CCCS(=O)(=O)C1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084696747 839096108 /nfs/dbraw/zinc/09/61/08/839096108.db2.gz HGDZVXHJAYRYAI-GRYCIOLGSA-N -1 0 369.447 -0.632 20 0 FBADRM O=C([C@@H]1CCCS(=O)(=O)C1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084696748 839096289 /nfs/dbraw/zinc/09/62/89/839096289.db2.gz HGDZVXHJAYRYAI-IJLUTSLNSA-N -1 0 369.447 -0.632 20 0 FBADRM O=C(COC1CCOCC1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084697391 839095899 /nfs/dbraw/zinc/09/58/99/839095899.db2.gz IQNAJCUHAHPRST-DGCLKSJQSA-N -1 0 351.407 -0.261 20 0 FBADRM O=C(C1CCS(=O)(=O)CC1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084697430 839096622 /nfs/dbraw/zinc/09/66/22/839096622.db2.gz KQZCLVHHBYWNDF-VXGBXAGGSA-N -1 0 369.447 -0.632 20 0 FBADRM C[C@@]1(C(=O)N2C[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CCCS1(=O)=O ZINC001084716391 839098616 /nfs/dbraw/zinc/09/86/16/839098616.db2.gz CKNOGFURHUNXTK-HFAKWTLXSA-N -1 0 369.447 -0.490 20 0 FBADRM C[C@]1(C(=O)N2C[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CCCS1(=O)=O ZINC001084716392 839098518 /nfs/dbraw/zinc/09/85/18/839098518.db2.gz CKNOGFURHUNXTK-UEKVPHQBSA-N -1 0 369.447 -0.490 20 0 FBADRM O=C(CCN1CCOCC1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084722492 839099927 /nfs/dbraw/zinc/09/99/27/839099927.db2.gz RPARQFKFPNSHDG-CHWSQXEVSA-N -1 0 350.423 -0.735 20 0 FBADRM CS(=O)(=O)C1(C(=O)N2C[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CCC1 ZINC001084748723 839103506 /nfs/dbraw/zinc/10/35/06/839103506.db2.gz DOYJCZUYJCEUIE-GHMZBOCLSA-N -1 0 369.447 -0.490 20 0 FBADRM C[C@H](c1csnn1)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001084798874 839105756 /nfs/dbraw/zinc/10/57/56/839105756.db2.gz HFDNEYSMQUNRBS-FXPVBKGRSA-N -1 0 365.419 -0.165 20 0 FBADRM C[C@@H](c1csnn1)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001084798875 839105941 /nfs/dbraw/zinc/10/59/41/839105941.db2.gz HFDNEYSMQUNRBS-IQJOONFLSA-N -1 0 365.419 -0.165 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CCN(Cc3cnsn3)C[C@H]21 ZINC001084798959 839105967 /nfs/dbraw/zinc/10/59/67/839105967.db2.gz LNMFRNODGBRYMS-PSASIEDQSA-N -1 0 351.392 -0.726 20 0 FBADRM Cc1nnsc1CN1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001084799000 839105896 /nfs/dbraw/zinc/10/58/96/839105896.db2.gz MSXYZVNFGKWRSS-NXEZZACHSA-N -1 0 365.419 -0.418 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CCN(Cc3nccs3)C[C@H]21 ZINC001084799002 839105954 /nfs/dbraw/zinc/10/59/54/839105954.db2.gz MUHPIVQBOGJLNC-NXEZZACHSA-N -1 0 350.404 -0.121 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CCN(Cc3csnn3)C[C@H]21 ZINC001084799012 839105774 /nfs/dbraw/zinc/10/57/74/839105774.db2.gz NNIQCJRCBRBDLI-PSASIEDQSA-N -1 0 351.392 -0.726 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CCN(Cc3cncs3)C[C@H]21 ZINC001084799086 839105999 /nfs/dbraw/zinc/10/59/99/839105999.db2.gz QFPDOKMAROJVPV-MWLCHTKSSA-N -1 0 350.404 -0.121 20 0 FBADRM Cc1nnc(CN2CC[C@@H]3CN(C(=O)Cn4c(=O)[n-][nH]c4=O)[C@@H]3C2)s1 ZINC001084799217 839105945 /nfs/dbraw/zinc/10/59/45/839105945.db2.gz XPSYQAKMPQHRCO-NXEZZACHSA-N -1 0 365.419 -0.418 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CCN(Cc3cnns3)C[C@H]21 ZINC001084799248 839106095 /nfs/dbraw/zinc/10/60/95/839106095.db2.gz YQHMFHPQRHFJEW-PSASIEDQSA-N -1 0 351.392 -0.726 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CCN(Cc3nncs3)C[C@H]21 ZINC001084799345 839105926 /nfs/dbraw/zinc/10/59/26/839105926.db2.gz DXVNRHHKTNEPHN-RKDXNWHRSA-N -1 0 351.392 -0.726 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CCN(Cc3cscn3)C[C@H]21 ZINC001084799535 839106836 /nfs/dbraw/zinc/10/68/36/839106836.db2.gz OASJPYTUCSIALI-MWLCHTKSSA-N -1 0 350.404 -0.121 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CCN(Cc3ccns3)C[C@H]21 ZINC001084799641 839107568 /nfs/dbraw/zinc/10/75/68/839107568.db2.gz UYMZJEXJONRVRV-MWLCHTKSSA-N -1 0 350.404 -0.121 20 0 FBADRM Cc1csc(=O)n1CC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084825234 839108157 /nfs/dbraw/zinc/10/81/57/839108157.db2.gz ROEWYMQHSSNFLI-GHMZBOCLSA-N -1 0 364.431 -0.225 20 0 FBADRM C[C@@H](C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)N1CCOCC1 ZINC001084872942 839114725 /nfs/dbraw/zinc/11/47/25/839114725.db2.gz IVIDNDSBJVXSMT-YNEHKIRRSA-N -1 0 350.423 -0.736 20 0 FBADRM CN1CCO[C@H](C(=O)N2CC[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)[C@H]3C2)C1 ZINC001084911127 839120011 /nfs/dbraw/zinc/12/00/11/839120011.db2.gz OJJXYFTUPNIUNG-AGIUHOORSA-N -1 0 350.423 -0.736 20 0 FBADRM CN1CCO[C@@H](C(=O)N2CC[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)[C@H]3C2)C1 ZINC001084911128 839119452 /nfs/dbraw/zinc/11/94/52/839119452.db2.gz OJJXYFTUPNIUNG-FRRDWIJNSA-N -1 0 350.423 -0.736 20 0 FBADRM O=C(CN1CCOCC1)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001084922800 839121092 /nfs/dbraw/zinc/12/10/92/839121092.db2.gz NVAAJSVMGYEQDZ-OLZOCXBDSA-N -1 0 350.423 -0.735 20 0 FBADRM CN1CCOC[C@H]1C(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001084925448 839121053 /nfs/dbraw/zinc/12/10/53/839121053.db2.gz YIGGNAJLEKYVIW-AGIUHOORSA-N -1 0 350.423 -0.736 20 0 FBADRM CN1CCOC[C@@H]1C(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001084925449 839121163 /nfs/dbraw/zinc/12/11/63/839121163.db2.gz YIGGNAJLEKYVIW-FRRDWIJNSA-N -1 0 350.423 -0.736 20 0 FBADRM O=C(CO[C@H]1CCOC1)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001084939274 839122645 /nfs/dbraw/zinc/12/26/45/839122645.db2.gz ZASKBFYIKWZYEQ-AGIUHOORSA-N -1 0 351.407 -0.261 20 0 FBADRM O=C(CO[C@@H]1CCOC1)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001084939275 839122121 /nfs/dbraw/zinc/12/21/21/839122121.db2.gz ZASKBFYIKWZYEQ-UPJWGTAASA-N -1 0 351.407 -0.261 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001084962081 839125761 /nfs/dbraw/zinc/12/57/61/839125761.db2.gz QNTPBEKJDYIRAX-OPDFLTKYSA-N -1 0 351.407 -0.263 20 0 FBADRM C[C@@H](C(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1)S(C)(=O)=O ZINC001084972912 839126839 /nfs/dbraw/zinc/12/68/39/839126839.db2.gz JBNXSDHPHAUCAH-AXFHLTTASA-N -1 0 357.436 -0.634 20 0 FBADRM C[C@H](C(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1)S(C)(=O)=O ZINC001084972913 839127131 /nfs/dbraw/zinc/12/71/31/839127131.db2.gz JBNXSDHPHAUCAH-MXWKQRLJSA-N -1 0 357.436 -0.634 20 0 FBADRM O=C(CC1CS(=O)(=O)C1)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001084974758 839127873 /nfs/dbraw/zinc/12/78/73/839127873.db2.gz TWACZIZWTMSUOS-NEPJUHHUSA-N -1 0 369.447 -0.632 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H]2CCN(Cc3nncs3)[C@H]2C1 ZINC001084981401 839129040 /nfs/dbraw/zinc/12/90/40/839129040.db2.gz ALCUOXKKNQJOFQ-BDAKNGLRSA-N -1 0 363.403 -0.129 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H]2CCN(Cc3cnsn3)[C@H]2C1 ZINC001084981559 839129402 /nfs/dbraw/zinc/12/94/02/839129402.db2.gz NNSFAHZVONZNHU-SCZZXKLOSA-N -1 0 363.403 -0.129 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H]2CCN(Cc3cnns3)[C@H]2C1 ZINC001084981716 839129460 /nfs/dbraw/zinc/12/94/60/839129460.db2.gz XYSWNMGSWWSURN-SCZZXKLOSA-N -1 0 363.403 -0.129 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H]2CCN(Cc3csnn3)[C@H]2C1 ZINC001084981829 839129604 /nfs/dbraw/zinc/12/96/04/839129604.db2.gz IJGQBODMZQYNTL-SCZZXKLOSA-N -1 0 363.403 -0.129 20 0 FBADRM O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001084983946 839130003 /nfs/dbraw/zinc/13/00/03/839130003.db2.gz VJYWADGFRPYAIQ-UTUOFQBUSA-N -1 0 369.447 -0.632 20 0 FBADRM O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001084983947 839130362 /nfs/dbraw/zinc/13/03/62/839130362.db2.gz VJYWADGFRPYAIQ-WOPDTQHZSA-N -1 0 369.447 -0.632 20 0 FBADRM CC(C)(C(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1)S(C)(=O)=O ZINC001085047609 839136602 /nfs/dbraw/zinc/13/66/02/839136602.db2.gz BDHOHSGKSKNHLM-MNOVXSKESA-N -1 0 371.463 -0.244 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CCN(Cc3csnn3)[C@H]2C1 ZINC001085082366 839139167 /nfs/dbraw/zinc/13/91/67/839139167.db2.gz BILWGSXLVHLAEQ-KOLCDFICSA-N -1 0 365.419 -0.336 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CCN(Cc3cnsn3)[C@H]2C1 ZINC001085082479 839139209 /nfs/dbraw/zinc/13/92/09/839139209.db2.gz JCXHSUYZTBGAEO-KOLCDFICSA-N -1 0 365.419 -0.336 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CCN(Cc3nncs3)[C@H]2C1 ZINC001085082866 839138797 /nfs/dbraw/zinc/13/87/97/839138797.db2.gz JRFPMDNBNZBZER-ZJUUUORDSA-N -1 0 365.419 -0.336 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]2CCN(Cc3cnns3)[C@H]2C1 ZINC001085082913 839138406 /nfs/dbraw/zinc/13/84/06/839138406.db2.gz MXWDKSATTJMEGL-KOLCDFICSA-N -1 0 365.419 -0.336 20 0 FBADRM O=C([C@H]1CCCS1(=O)=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001085096410 839141223 /nfs/dbraw/zinc/14/12/23/839141223.db2.gz BYCNTGKGNUJNMR-GRYCIOLGSA-N -1 0 369.447 -0.490 20 0 FBADRM O=C([C@@H]1CCCS1(=O)=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001085096411 839141752 /nfs/dbraw/zinc/14/17/52/839141752.db2.gz BYCNTGKGNUJNMR-WOPDTQHZSA-N -1 0 369.447 -0.490 20 0 FBADRM CN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(=O)n(C)[nH]2)CC1=O ZINC001085216922 839175705 /nfs/dbraw/zinc/17/57/05/839175705.db2.gz HSJDVHZEVMTRRP-IJLUTSLNSA-N -1 0 350.423 -0.896 20 0 FBADRM CN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(=O)n(C)[nH]2)CC1=O ZINC001085216923 839175737 /nfs/dbraw/zinc/17/57/37/839175737.db2.gz HSJDVHZEVMTRRP-QJPTWQEYSA-N -1 0 350.423 -0.896 20 0 FBADRM Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCNC2=O)nc1=O ZINC001085233478 839178193 /nfs/dbraw/zinc/17/81/93/839178193.db2.gz XWAMYNWCFAGKFY-IJLUTSLNSA-N -1 0 350.423 -0.848 20 0 FBADRM Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCNC2=O)nc1=O ZINC001085233479 839178113 /nfs/dbraw/zinc/17/81/13/839178113.db2.gz XWAMYNWCFAGKFY-QJPTWQEYSA-N -1 0 350.423 -0.848 20 0 FBADRM Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCC(=O)N2)nc1=O ZINC001085236779 839177557 /nfs/dbraw/zinc/17/75/57/839177557.db2.gz QXPYDELXHFSAFR-IJLUTSLNSA-N -1 0 350.423 -0.706 20 0 FBADRM O=C(N[C@@H]1CCCC[C@H]1NCc1nncs1)c1n[nH]c(=O)[n-]c1=O ZINC001085260236 839180514 /nfs/dbraw/zinc/18/05/14/839180514.db2.gz CKRQBFRPYQVJLA-HTQZYQBOSA-N -1 0 351.392 -0.035 20 0 FBADRM O=C(N[C@@H]1CCCC[C@H]1NCc1csnn1)c1n[nH]c(=O)[n-]c1=O ZINC001085260306 839180169 /nfs/dbraw/zinc/18/01/69/839180169.db2.gz HQCWQKZWDZIHSF-RKDXNWHRSA-N -1 0 351.392 -0.035 20 0 FBADRM O=C(N[C@@H]1CCCC[C@H]1NCc1cnsn1)c1n[nH]c(=O)[n-]c1=O ZINC001085260487 839180438 /nfs/dbraw/zinc/18/04/38/839180438.db2.gz PFNJAUUBVLKMKA-RKDXNWHRSA-N -1 0 351.392 -0.035 20 0 FBADRM C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2n[nH]c(=O)[n-]2)CCCS1(=O)=O ZINC001085360335 839187290 /nfs/dbraw/zinc/18/72/90/839187290.db2.gz ZKAPYYNNYOEGBD-HFAKWTLXSA-N -1 0 371.463 -0.005 20 0 FBADRM C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2n[nH]c(=O)[n-]2)CCCS1(=O)=O ZINC001085360336 839187229 /nfs/dbraw/zinc/18/72/29/839187229.db2.gz ZKAPYYNNYOEGBD-UEKVPHQBSA-N -1 0 371.463 -0.005 20 0 FBADRM Cn1ncnc1CN[C@@H]1CCCC[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001085406382 839192161 /nfs/dbraw/zinc/19/21/61/839192161.db2.gz CKJAFYWFWHDYKI-NXEZZACHSA-N -1 0 350.383 -0.965 20 0 FBADRM Cc1nnc(CN[C@@H]2CCCC[C@H]2NC(=O)Cn2c(=O)[n-][nH]c2=O)o1 ZINC001085406505 839192448 /nfs/dbraw/zinc/19/24/48/839192448.db2.gz IQNVZLUBSNMAHV-NXEZZACHSA-N -1 0 351.367 -0.402 20 0 FBADRM Cc1nonc1CN[C@@H]1CCCC[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001085406707 839192313 /nfs/dbraw/zinc/19/23/13/839192313.db2.gz SWYOLLWAPPESND-NXEZZACHSA-N -1 0 351.367 -0.402 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCC[C@H]1NCc1csnn1 ZINC001085406727 839192736 /nfs/dbraw/zinc/19/27/36/839192736.db2.gz UOVMAJFAYRGSGA-NXEZZACHSA-N -1 0 353.408 -0.242 20 0 FBADRM Cn1ncc(CN[C@@H]2CCCC[C@H]2NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001085406776 839192357 /nfs/dbraw/zinc/19/23/57/839192357.db2.gz WZXLDOLAFYBGPI-GHMZBOCLSA-N -1 0 350.383 -0.965 20 0 FBADRM Cc1noc(CN[C@@H]2CCCC[C@H]2NC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001085406790 839191812 /nfs/dbraw/zinc/19/18/12/839191812.db2.gz XWDGRWHAJZUEDB-NXEZZACHSA-N -1 0 351.367 -0.402 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCC[C@H]1NCc1cnsn1 ZINC001085406824 839192610 /nfs/dbraw/zinc/19/26/10/839192610.db2.gz ZVUVXKBREYVUCZ-NXEZZACHSA-N -1 0 353.408 -0.242 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCC[C@H]1NCc1nncs1 ZINC001085407043 839192708 /nfs/dbraw/zinc/19/27/08/839192708.db2.gz LUDYJICETVTBFU-RKDXNWHRSA-N -1 0 353.408 -0.242 20 0 FBADRM CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001085739821 839212834 /nfs/dbraw/zinc/21/28/34/839212834.db2.gz ZMBJSKOPWPMSJN-KZVDOYCCSA-N -1 0 351.407 -0.406 20 0 FBADRM CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001085739822 839212706 /nfs/dbraw/zinc/21/27/06/839212706.db2.gz ZMBJSKOPWPMSJN-ZJQBRPOHSA-N -1 0 351.407 -0.406 20 0 FBADRM C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001086088950 839230686 /nfs/dbraw/zinc/23/06/86/839230686.db2.gz ZHSIWGBGXSSXLE-WISYIIOYSA-N -1 0 350.423 -0.993 20 0 FBADRM CCN1C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001086710851 839712293 /nfs/dbraw/zinc/71/22/93/839712293.db2.gz NNVCSOCCZUQTIS-QJPTWQEYSA-N -1 0 350.423 -0.247 20 0 FBADRM CCN1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)CC1=O ZINC001086710852 839712691 /nfs/dbraw/zinc/71/26/91/839712691.db2.gz NNVCSOCCZUQTIS-SDDRHHMPSA-N -1 0 350.423 -0.247 20 0 FBADRM O=C(NC[C@H]1CC[C@@H](NCc2cnsn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001086746199 839743360 /nfs/dbraw/zinc/74/33/60/839743360.db2.gz LWNUIAPYQZWYLG-JGVFFNPUSA-N -1 0 351.392 -0.177 20 0 FBADRM O=C(NC[C@H]1CC[C@@H](NCc2csnn2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001086746555 839742767 /nfs/dbraw/zinc/74/27/67/839742767.db2.gz DQNSEIRDVLQDGW-JGVFFNPUSA-N -1 0 351.392 -0.177 20 0 FBADRM C[C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001087198338 836023516 /nfs/dbraw/zinc/02/35/16/836023516.db2.gz IGPOFZGVSWMJMN-OUAUKWLOSA-N -1 0 351.411 -0.749 20 0 FBADRM C[C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001087198339 836023860 /nfs/dbraw/zinc/02/38/60/836023860.db2.gz IGPOFZGVSWMJMN-VWYCJHECSA-N -1 0 351.411 -0.749 20 0 FBADRM C[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001087201751 836023051 /nfs/dbraw/zinc/02/30/51/836023051.db2.gz BAMICRQLOVNQNV-GRYCIOLGSA-N -1 0 350.423 -0.295 20 0 FBADRM C[C@@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001087201752 836023466 /nfs/dbraw/zinc/02/34/66/836023466.db2.gz BAMICRQLOVNQNV-WOPDTQHZSA-N -1 0 350.423 -0.295 20 0 FBADRM C[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](CNCc2csnn2)C1 ZINC001087239944 836033575 /nfs/dbraw/zinc/03/35/75/836033575.db2.gz CHYGEMQRFZSJKH-KOLCDFICSA-N -1 0 367.435 -0.042 20 0 FBADRM C[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](CNCc2cnon2)C1 ZINC001087240037 836033548 /nfs/dbraw/zinc/03/35/48/836033548.db2.gz GWDHGOOBIVXZMM-KOLCDFICSA-N -1 0 351.367 -0.511 20 0 FBADRM C[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](CNCc2nncs2)C1 ZINC001087240122 836033013 /nfs/dbraw/zinc/03/30/13/836033013.db2.gz LQEGBNKPJQIHAR-ZJUUUORDSA-N -1 0 367.435 -0.042 20 0 FBADRM C[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](CNCc2cnsn2)C1 ZINC001087240246 836032681 /nfs/dbraw/zinc/03/26/81/836032681.db2.gz SNZZOBKAHAXDSR-KOLCDFICSA-N -1 0 367.435 -0.042 20 0 FBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1nc(CNCc2csnn2)cc(=O)[nH]1 ZINC001087260066 836042168 /nfs/dbraw/zinc/04/21/68/836042168.db2.gz VXEZZEDSVWBTKA-ZJUUUORDSA-N -1 0 363.403 -0.939 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087575972 836265779 /nfs/dbraw/zinc/26/57/79/836265779.db2.gz GMGLZFGYAMQVGB-WRWGMCAJSA-N -1 0 350.423 -0.106 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087599217 836269983 /nfs/dbraw/zinc/26/99/83/836269983.db2.gz SLBNZAXIUZAJHZ-GRYCIOLGSA-N -1 0 350.423 -0.104 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087599218 836269385 /nfs/dbraw/zinc/26/93/85/836269385.db2.gz SLBNZAXIUZAJHZ-SDDRHHMPSA-N -1 0 350.423 -0.104 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCCS2(=O)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087600679 836269874 /nfs/dbraw/zinc/26/98/74/836269874.db2.gz GMFWGCFWHKPKDO-QJPTWQEYSA-N -1 0 371.463 -0.053 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCS2(=O)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087600680 836269915 /nfs/dbraw/zinc/26/99/15/836269915.db2.gz GMFWGCFWHKPKDO-TUAOUCFPSA-N -1 0 371.463 -0.053 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087615897 836269600 /nfs/dbraw/zinc/26/96/00/836269600.db2.gz UQLNZULZNNWYAG-GRYCIOLGSA-N -1 0 350.423 -0.152 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087615898 836270416 /nfs/dbraw/zinc/27/04/16/836270416.db2.gz UQLNZULZNNWYAG-SDDRHHMPSA-N -1 0 350.423 -0.152 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087621778 836271339 /nfs/dbraw/zinc/27/13/39/836271339.db2.gz IOUOAVHWTGPZLE-LYOVBCGYSA-N -1 0 350.423 -0.104 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087621779 836270368 /nfs/dbraw/zinc/27/03/68/836270368.db2.gz IOUOAVHWTGPZLE-USBNGQNGSA-N -1 0 350.423 -0.104 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)CC2CS(=O)(=O)C2)CCN1Cc1nc(=O)n(C)[nH]1 ZINC001087631125 836271053 /nfs/dbraw/zinc/27/10/53/836271053.db2.gz MADVWFKJOMEFJW-NWDGAFQWSA-N -1 0 371.463 -0.988 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@@H]2COCCN2CC)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087633261 836273669 /nfs/dbraw/zinc/27/36/69/836273669.db2.gz TWJPECWWTKNLOA-XQQFMLRXSA-N -1 0 352.439 -0.300 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@H]2COCCN2CC)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087633262 836273186 /nfs/dbraw/zinc/27/31/86/836273186.db2.gz TWJPECWWTKNLOA-YNEHKIRRSA-N -1 0 352.439 -0.300 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1Cc1csnn1 ZINC001087641943 836272910 /nfs/dbraw/zinc/27/29/10/836272910.db2.gz LSVINKHBXYMFHP-DTWKUNHWSA-N -1 0 351.392 -0.083 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1CC(=O)NC1CC1 ZINC001087642023 836273118 /nfs/dbraw/zinc/27/31/18/836273118.db2.gz PTGCCFJQQDVGNS-VHSXEESVSA-N -1 0 350.379 -0.856 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1Cc1cnsn1 ZINC001087642172 836273220 /nfs/dbraw/zinc/27/32/20/836273220.db2.gz YPKADTLNUCHBKW-DTWKUNHWSA-N -1 0 351.392 -0.083 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1Cc1cnns1 ZINC001087642384 836273598 /nfs/dbraw/zinc/27/35/98/836273598.db2.gz MCTRCLSCJPJQRE-DTWKUNHWSA-N -1 0 351.392 -0.083 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1Cc1nncs1 ZINC001087642463 836272788 /nfs/dbraw/zinc/27/27/88/836272788.db2.gz QVZQAHRFJMTKAL-JGVFFNPUSA-N -1 0 351.392 -0.083 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087646982 836272938 /nfs/dbraw/zinc/27/29/38/836272938.db2.gz CQYUWJDKAPGQPN-GARJFASQSA-N -1 0 357.436 -0.586 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087646983 836273173 /nfs/dbraw/zinc/27/31/73/836273173.db2.gz CQYUWJDKAPGQPN-OUAUKWLOSA-N -1 0 357.436 -0.586 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087646986 836272848 /nfs/dbraw/zinc/27/28/48/836272848.db2.gz CUEBRYOODUYHBI-GRYCIOLGSA-N -1 0 371.463 -0.196 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087646987 836272313 /nfs/dbraw/zinc/27/23/13/836272313.db2.gz CUEBRYOODUYHBI-SDDRHHMPSA-N -1 0 371.463 -0.196 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCCS2(=O)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087672922 836276950 /nfs/dbraw/zinc/27/69/50/836276950.db2.gz OATPKCARNAHWFL-GRYCIOLGSA-N -1 0 371.463 -0.053 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCS2(=O)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087672923 836275944 /nfs/dbraw/zinc/27/59/44/836275944.db2.gz OATPKCARNAHWFL-SDDRHHMPSA-N -1 0 371.463 -0.053 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087673230 836276325 /nfs/dbraw/zinc/27/63/25/836276325.db2.gz AUNFIAHVLFCKKA-GRYCIOLGSA-N -1 0 350.423 -0.104 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087673231 836276276 /nfs/dbraw/zinc/27/62/76/836276276.db2.gz AUNFIAHVLFCKKA-SDDRHHMPSA-N -1 0 350.423 -0.104 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)c2coc(OC)n2)CCN1Cc1nc(=O)n(C)[nH]1 ZINC001087674768 836276199 /nfs/dbraw/zinc/27/61/99/836276199.db2.gz BZTSZRHXNCUTDW-GXSJLCMTSA-N -1 0 350.379 -0.112 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)CCN1Cc1nc(=O)n(C)[nH]1 ZINC001087715260 836281381 /nfs/dbraw/zinc/28/13/81/836281381.db2.gz ZKJPQFMJSSKBCD-USBNGQNGSA-N -1 0 350.423 -0.754 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CCNC2=O)CCN1Cc1nc(=O)n(C)[nH]1 ZINC001087723667 836281130 /nfs/dbraw/zinc/28/11/30/836281130.db2.gz YSJPBOARLWCWEA-LYOVBCGYSA-N -1 0 350.423 -0.896 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCNC2=O)CCN1Cc1nc(=O)n(C)[nH]1 ZINC001087723668 836281056 /nfs/dbraw/zinc/28/10/56/836281056.db2.gz YSJPBOARLWCWEA-USBNGQNGSA-N -1 0 350.423 -0.896 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087746733 836283417 /nfs/dbraw/zinc/28/34/17/836283417.db2.gz OPXWCOHEDVFRDB-GRYCIOLGSA-N -1 0 371.463 -0.196 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087746734 836283539 /nfs/dbraw/zinc/28/35/39/836283539.db2.gz OPXWCOHEDVFRDB-SDDRHHMPSA-N -1 0 371.463 -0.196 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)C2CCS(=O)(=O)CC2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087747770 836283298 /nfs/dbraw/zinc/28/32/98/836283298.db2.gz VJJWCNZFZNNRRV-NWDGAFQWSA-N -1 0 371.463 -0.196 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087758804 836282853 /nfs/dbraw/zinc/28/28/53/836282853.db2.gz MQWCANWFFYYZRU-FIXISWKDSA-N -1 0 371.463 -0.053 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CCCS2(=O)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087758805 836282548 /nfs/dbraw/zinc/28/25/48/836282548.db2.gz MQWCANWFFYYZRU-RWSFTLGLSA-N -1 0 371.463 -0.053 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087761981 836286914 /nfs/dbraw/zinc/28/69/14/836286914.db2.gz XLUBDEJGJVWHMF-VHSXEESVSA-N -1 0 350.379 -0.968 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1Cc1nonc1C ZINC001087811125 836289203 /nfs/dbraw/zinc/28/92/03/836289203.db2.gz CJFOLJQLPHWUTM-GXSJLCMTSA-N -1 0 351.367 -0.450 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1Cc1cnns1 ZINC001087811208 836289261 /nfs/dbraw/zinc/28/92/61/836289261.db2.gz IADCSSNUYWDGIG-VHSXEESVSA-N -1 0 353.408 -0.290 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1Cc1nncs1 ZINC001087811441 836291026 /nfs/dbraw/zinc/29/10/26/836291026.db2.gz VDNVHYGZSFMKSP-DTWKUNHWSA-N -1 0 353.408 -0.290 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1Cc1nnc(C)[nH]1 ZINC001087811481 836290273 /nfs/dbraw/zinc/29/02/73/836290273.db2.gz XECCGPCJRFYCOR-VHSXEESVSA-N -1 0 350.383 -0.715 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1Cc1csnn1 ZINC001087811489 836290341 /nfs/dbraw/zinc/29/03/41/836290341.db2.gz XNEWFRNXWXFIKK-VHSXEESVSA-N -1 0 353.408 -0.290 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1Cc1nc(C)no1 ZINC001087811500 836290697 /nfs/dbraw/zinc/29/06/97/836290697.db2.gz YCYAXBAHKLEWBA-VHSXEESVSA-N -1 0 351.367 -0.450 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1Cc1cnsn1 ZINC001087811510 836290543 /nfs/dbraw/zinc/29/05/43/836290543.db2.gz YQVSMWQGGVCTMF-VHSXEESVSA-N -1 0 353.408 -0.290 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087812056 836289884 /nfs/dbraw/zinc/28/98/84/836289884.db2.gz UQKFMMBIMJBZLL-FRRDWIJNSA-N -1 0 350.423 -0.152 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C(C)=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087812057 836290301 /nfs/dbraw/zinc/29/03/01/836290301.db2.gz UQKFMMBIMJBZLL-RWMBFGLXSA-N -1 0 350.423 -0.152 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC(=O)N2C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087814287 836290390 /nfs/dbraw/zinc/29/03/90/836290390.db2.gz GXDLEXYDYHMZPX-QJPTWQEYSA-N -1 0 350.423 -0.010 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC(=O)N2C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087814288 836290986 /nfs/dbraw/zinc/29/09/86/836290986.db2.gz GXDLEXYDYHMZPX-TUAOUCFPSA-N -1 0 350.423 -0.010 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(CC)CCO2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087836634 836293627 /nfs/dbraw/zinc/29/36/27/836293627.db2.gz BMPTXBNAASIZNS-XQQFMLRXSA-N -1 0 352.439 -0.300 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(CC)CCO2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087836635 836293837 /nfs/dbraw/zinc/29/38/37/836293837.db2.gz BMPTXBNAASIZNS-YNEHKIRRSA-N -1 0 352.439 -0.300 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)[C@H](C)N2CCOCC2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087851434 836297822 /nfs/dbraw/zinc/29/78/22/836297822.db2.gz AJYRTYBQQJFAHE-RWMBFGLXSA-N -1 0 352.439 -0.300 20 0 FBADRM CN1CCO[C@H](C(=O)N2C[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)C1 ZINC001087920105 836305564 /nfs/dbraw/zinc/30/55/64/836305564.db2.gz DYCMILRAYYZNMC-AGIUHOORSA-N -1 0 350.423 -0.879 20 0 FBADRM CN1CCO[C@@H](C(=O)N2C[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)C1 ZINC001087920106 836305210 /nfs/dbraw/zinc/30/52/10/836305210.db2.gz DYCMILRAYYZNMC-FRRDWIJNSA-N -1 0 350.423 -0.879 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CCN(CCS(C)(=O)=O)C[C@H]3C2)c1[O-] ZINC001087936644 836306005 /nfs/dbraw/zinc/30/60/05/836306005.db2.gz XJYXGLPSBLESGT-NEPJUHHUSA-N -1 0 356.448 -0.138 20 0 FBADRM O=C(CN1CCOCC1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001087937849 836306480 /nfs/dbraw/zinc/30/64/80/836306480.db2.gz VSEHXMWWMSTHPX-OLZOCXBDSA-N -1 0 350.423 -0.877 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001087998314 836315541 /nfs/dbraw/zinc/31/55/41/836315541.db2.gz BRIZDUOHJKTDRH-OPDFLTKYSA-N -1 0 351.407 -0.406 20 0 FBADRM O=C(CC1CS(=O)(=O)C1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001088017956 836319981 /nfs/dbraw/zinc/31/99/81/836319981.db2.gz AGRLPMPHORSOTN-NEPJUHHUSA-N -1 0 369.447 -0.775 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@H]2CCN(Cc3cnsn3)C[C@H]2C1 ZINC001088028271 836323720 /nfs/dbraw/zinc/32/37/20/836323720.db2.gz DBOZSOXBIYNSHU-BDAKNGLRSA-N -1 0 363.403 -0.272 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@H]2CCN(Cc3csnn3)C[C@H]2C1 ZINC001088028311 836324464 /nfs/dbraw/zinc/32/44/64/836324464.db2.gz FTCCUCZEWWCPOG-BDAKNGLRSA-N -1 0 363.403 -0.272 20 0 FBADRM O=C([C@@H]1CCS(=O)(=O)C1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001088032229 836324248 /nfs/dbraw/zinc/32/42/48/836324248.db2.gz GCMIQKVQPDAITE-UTUOFQBUSA-N -1 0 369.447 -0.775 20 0 FBADRM O=C([C@H]1CCS(=O)(=O)C1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001088032230 836323770 /nfs/dbraw/zinc/32/37/70/836323770.db2.gz GCMIQKVQPDAITE-WOPDTQHZSA-N -1 0 369.447 -0.775 20 0 FBADRM CC(C)(C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1)S(C)(=O)=O ZINC001088128296 836352551 /nfs/dbraw/zinc/35/25/51/836352551.db2.gz IOXJTOSAKWGAIS-MNOVXSKESA-N -1 0 371.463 -0.386 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CCN(Cc3cnns3)C[C@H]2C1 ZINC001088183932 836360485 /nfs/dbraw/zinc/36/04/85/836360485.db2.gz DSDOQEASHQYCLD-ZJUUUORDSA-N -1 0 365.419 -0.479 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CCN(Cc3nncs3)C[C@H]2C1 ZINC001088183980 836361536 /nfs/dbraw/zinc/36/15/36/836361536.db2.gz HQIWYXRJVDFOEV-ZJUUUORDSA-N -1 0 365.419 -0.479 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CCN(Cc3cnsn3)C[C@H]2C1 ZINC001088184168 836361347 /nfs/dbraw/zinc/36/13/47/836361347.db2.gz QXTRVQKQFIAMNP-ZJUUUORDSA-N -1 0 365.419 -0.479 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2CCN(Cc3csnn3)C[C@H]2C1 ZINC001088184267 836361117 /nfs/dbraw/zinc/36/11/17/836361117.db2.gz WODOJHWIPKBAMA-ZJUUUORDSA-N -1 0 365.419 -0.479 20 0 FBADRM O=C([C@H]1CCCS1(=O)=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001088207402 836365758 /nfs/dbraw/zinc/36/57/58/836365758.db2.gz JMULUMBIXSPKJO-GRYCIOLGSA-N -1 0 369.447 -0.632 20 0 FBADRM O=C([C@@H]1CCCS1(=O)=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001088207403 836365269 /nfs/dbraw/zinc/36/52/69/836365269.db2.gz JMULUMBIXSPKJO-WOPDTQHZSA-N -1 0 369.447 -0.632 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)[C@@H]2C)c1[O-] ZINC001088524771 836430301 /nfs/dbraw/zinc/43/03/01/836430301.db2.gz MWUGQWYJHJTLRK-ZJUUUORDSA-N -1 0 350.379 -0.832 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CC(=O)N3CCOCC3)[C@@H]2C)c1[O-] ZINC001088526039 836431360 /nfs/dbraw/zinc/43/13/60/836431360.db2.gz YKTVOAXILLEVSR-NEPJUHHUSA-N -1 0 351.407 -0.525 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CCN3CCCS3(=O)=O)[C@@H]2C)c1[O-] ZINC001088526052 836431618 /nfs/dbraw/zinc/43/16/18/836431618.db2.gz YUCFZIAOHRHFOA-NEPJUHHUSA-N -1 0 371.463 -0.348 20 0 FBADRM COCCn1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)nn1 ZINC001088560515 836440852 /nfs/dbraw/zinc/44/08/52/836440852.db2.gz UNFNMUKBOCOGPU-ZJUUUORDSA-N -1 0 350.383 -0.859 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2coc(S(C)(=O)=O)c2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088579740 836458217 /nfs/dbraw/zinc/45/82/17/836458217.db2.gz ZMUUMPITCIUIMW-SCZZXKLOSA-N -1 0 369.403 -0.100 20 0 FBADRM C[C@H](C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C)N1C(=O)CCC1=O ZINC001088601682 836465895 /nfs/dbraw/zinc/46/58/95/836465895.db2.gz JGLZREHBTUBXAC-BBBLOLIVSA-N -1 0 350.379 -0.873 20 0 FBADRM C[C@@H](C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C)N1C(=O)CCC1=O ZINC001088601683 836466321 /nfs/dbraw/zinc/46/63/21/836466321.db2.gz JGLZREHBTUBXAC-UTLUCORTSA-N -1 0 350.379 -0.873 20 0 FBADRM CC(C)N1C[C@H](C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)CC1=O ZINC001088601952 836466413 /nfs/dbraw/zinc/46/64/13/836466413.db2.gz RCPNLLQOXNQHAR-UTUOFQBUSA-N -1 0 350.423 -0.154 20 0 FBADRM CC(C)N1C[C@@H](C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)CC1=O ZINC001088601953 836466215 /nfs/dbraw/zinc/46/62/15/836466215.db2.gz RCPNLLQOXNQHAR-WOPDTQHZSA-N -1 0 350.423 -0.154 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2CCCCS2(=O)=O)CCN1Cc1nc(=O)n(C)[nH]1 ZINC001088618917 836489835 /nfs/dbraw/zinc/48/98/35/836489835.db2.gz PMSZPQVURSBJES-GRYCIOLGSA-N -1 0 371.463 -0.845 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCS2(=O)=O)CCN1Cc1nc(=O)n(C)[nH]1 ZINC001088618918 836489829 /nfs/dbraw/zinc/48/98/29/836489829.db2.gz PMSZPQVURSBJES-WOPDTQHZSA-N -1 0 371.463 -0.845 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088661792 836500480 /nfs/dbraw/zinc/50/04/80/836500480.db2.gz XBZYRPJCLHVXFF-KOLCDFICSA-N -1 0 369.447 -0.586 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088674310 836502134 /nfs/dbraw/zinc/50/21/34/836502134.db2.gz FMIBCWTWFLOOFK-APPZFPTMSA-N -1 0 370.391 -0.857 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cnn(CCF)c2)CCN1Cc1nc(=O)n(C)[nH]1 ZINC001088688342 836503384 /nfs/dbraw/zinc/50/33/84/836503384.db2.gz FWZCNEQIRVJENM-PWSUYJOCSA-N -1 0 351.386 -0.333 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C2CCC(C(N)=O)CC2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088689755 836505628 /nfs/dbraw/zinc/50/56/28/836505628.db2.gz GRQGIRNLWGPWNE-YYJSSNLHSA-N -1 0 350.423 -0.119 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088702502 836513848 /nfs/dbraw/zinc/51/38/48/836513848.db2.gz UCVRUETZIDCLBZ-SFYZADRCSA-N -1 0 370.391 -0.857 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1CC(=O)N1CCCC1 ZINC001088708179 836515599 /nfs/dbraw/zinc/51/55/99/836515599.db2.gz JAQSHBJPILWEPC-ZJUUUORDSA-N -1 0 350.379 -0.902 20 0 FBADRM Cc1nnc(CN2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C)s1 ZINC001088708220 836515482 /nfs/dbraw/zinc/51/54/82/836515482.db2.gz KZICPIBCUYCQMT-SVRRBLITSA-N -1 0 351.392 -0.164 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1CC(=O)N(C)C1CC1 ZINC001088708528 836515764 /nfs/dbraw/zinc/51/57/64/836515764.db2.gz XCAQVEOGZRQBTE-SCZZXKLOSA-N -1 0 350.379 -0.904 20 0 FBADRM Cc1nnsc1CN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001088708824 836515692 /nfs/dbraw/zinc/51/56/92/836515692.db2.gz FESRHYYBIZBPGH-SFYZADRCSA-N -1 0 351.392 -0.164 20 0 FBADRM COc1cc(CN2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C)on1 ZINC001088709186 836515418 /nfs/dbraw/zinc/51/54/18/836515418.db2.gz YRLBUCMTIWJXBT-APPZFPTMSA-N -1 0 350.335 -0.328 20 0 FBADRM CNC(=O)CN1CC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)[C@H]1C ZINC001088713554 836517932 /nfs/dbraw/zinc/51/79/32/836517932.db2.gz UVSOCJMLQBIHPM-OCCSQVGLSA-N -1 0 351.451 -0.300 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088719199 836521779 /nfs/dbraw/zinc/52/17/79/836521779.db2.gz YVSWORWIKIEISZ-MXWKQRLJSA-N -1 0 357.436 -0.586 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088719200 836521811 /nfs/dbraw/zinc/52/18/11/836521811.db2.gz YVSWORWIKIEISZ-VWYCJHECSA-N -1 0 357.436 -0.586 20 0 FBADRM CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)C1 ZINC001088720661 836523451 /nfs/dbraw/zinc/52/34/51/836523451.db2.gz UKQQCUMGWBXQCU-RTXFEEFZSA-N -1 0 350.423 -0.152 20 0 FBADRM CC(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)C1 ZINC001088720662 836523617 /nfs/dbraw/zinc/52/36/17/836523617.db2.gz UKQQCUMGWBXQCU-WXHSDQCUSA-N -1 0 350.423 -0.152 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088721486 836524005 /nfs/dbraw/zinc/52/40/05/836524005.db2.gz RBFLMJIFNMKFQP-MXWKQRLJSA-N -1 0 351.411 -0.620 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088721487 836523908 /nfs/dbraw/zinc/52/39/08/836523908.db2.gz RBFLMJIFNMKFQP-VWYCJHECSA-N -1 0 351.411 -0.620 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C[C@H]2CCCC(=O)N2)CCN1Cc1nc(=O)n(C)[nH]1 ZINC001088728842 836524041 /nfs/dbraw/zinc/52/40/41/836524041.db2.gz CUFIBIXJTKGLRO-UTUOFQBUSA-N -1 0 350.423 -0.754 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCC(=O)N2)CCN1Cc1nc(=O)n(C)[nH]1 ZINC001088728843 836523520 /nfs/dbraw/zinc/52/35/20/836523520.db2.gz CUFIBIXJTKGLRO-WOPDTQHZSA-N -1 0 350.423 -0.754 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)n(C)n2)CCN1Cc1nc(=O)n(C)[nH]1 ZINC001088730614 836523816 /nfs/dbraw/zinc/52/38/16/836523816.db2.gz KTWREVCMMZVTIE-BDAKNGLRSA-N -1 0 353.814 -0.112 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088766896 836529670 /nfs/dbraw/zinc/52/96/70/836529670.db2.gz MZCAZBCVAIMSSF-DKKFBCOVSA-N -1 0 351.407 -0.359 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C[C@H]2CCCS2(=O)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088772802 836530592 /nfs/dbraw/zinc/53/05/92/836530592.db2.gz LBIYCKSOMCLTNO-MXWKQRLJSA-N -1 0 357.436 -0.443 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCS2(=O)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088772803 836530547 /nfs/dbraw/zinc/53/05/47/836530547.db2.gz LBIYCKSOMCLTNO-VWYCJHECSA-N -1 0 357.436 -0.443 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1Cc1cnsn1 ZINC001088789294 836531421 /nfs/dbraw/zinc/53/14/21/836531421.db2.gz GHLYNIXOXJFDPN-KCJUWKMLSA-N -1 0 350.404 -0.270 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1Cc1csnn1 ZINC001088789352 836531500 /nfs/dbraw/zinc/53/15/00/836531500.db2.gz JCHQUTBBUSBKBI-KCJUWKMLSA-N -1 0 350.404 -0.270 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1Cc1nncs1 ZINC001088790089 836531456 /nfs/dbraw/zinc/53/14/56/836531456.db2.gz XTORZPVRABCESU-SCZZXKLOSA-N -1 0 350.404 -0.270 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1Cc1cnns1 ZINC001088790103 836531907 /nfs/dbraw/zinc/53/19/07/836531907.db2.gz YOTCXSBFTJGDAL-KCJUWKMLSA-N -1 0 350.404 -0.270 20 0 FBADRM CC(C)N1C(=O)CC[C@H]1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001088814464 836538260 /nfs/dbraw/zinc/53/82/60/836538260.db2.gz UIXIQONAMUJRNL-WOPDTQHZSA-N -1 0 350.423 -0.011 20 0 FBADRM CC(C)N1CCO[C@H](C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)C1 ZINC001088815610 836539166 /nfs/dbraw/zinc/53/91/66/836539166.db2.gz XHFPLIWUCUFQBX-AGIUHOORSA-N -1 0 352.439 -0.302 20 0 FBADRM CC(C)N1CCO[C@@H](C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)C1 ZINC001088815611 836539017 /nfs/dbraw/zinc/53/90/17/836539017.db2.gz XHFPLIWUCUFQBX-FRRDWIJNSA-N -1 0 352.439 -0.302 20 0 FBADRM CCCN1C[C@H](C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)CC1=O ZINC001088888184 836923213 /nfs/dbraw/zinc/92/32/13/836923213.db2.gz CYMZPXUEMGDOGA-UTUOFQBUSA-N -1 0 350.423 -0.152 20 0 FBADRM CCCN1C[C@@H](C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)CC1=O ZINC001088888185 836922955 /nfs/dbraw/zinc/92/29/55/836922955.db2.gz CYMZPXUEMGDOGA-WOPDTQHZSA-N -1 0 350.423 -0.152 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088894410 836922574 /nfs/dbraw/zinc/92/25/74/836922574.db2.gz XPMDKMLRAJNTOD-MXWKQRLJSA-N -1 0 357.436 -0.586 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088894411 836923388 /nfs/dbraw/zinc/92/33/88/836923388.db2.gz XPMDKMLRAJNTOD-VWYCJHECSA-N -1 0 357.436 -0.586 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2ccc(S(C)(=O)=O)o2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088895384 836924512 /nfs/dbraw/zinc/92/45/12/836924512.db2.gz ZVZZFHUHLYCSOM-BDAKNGLRSA-N -1 0 369.403 -0.100 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C2CCS(=O)(=O)CC2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088895815 836924659 /nfs/dbraw/zinc/92/46/59/836924659.db2.gz YSZXJFAXWBOUPU-KOLCDFICSA-N -1 0 357.436 -0.586 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C(=O)N2CCC(C)CC2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088902458 836924552 /nfs/dbraw/zinc/92/45/52/836924552.db2.gz VONRAMCRRHRFKL-NEPJUHHUSA-N -1 0 350.423 -0.152 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C(=O)N2CCC[C@H](C)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088902865 836924113 /nfs/dbraw/zinc/92/41/13/836924113.db2.gz OKHQUWMGTPMQME-TUAOUCFPSA-N -1 0 350.423 -0.152 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088902866 836924249 /nfs/dbraw/zinc/92/42/49/836924249.db2.gz OKHQUWMGTPMQME-UTUOFQBUSA-N -1 0 350.423 -0.152 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)CCN1CCS(C)(=O)=O ZINC001088905559 836925296 /nfs/dbraw/zinc/92/52/96/836925296.db2.gz BLUPYBATMQWIBS-PWSUYJOCSA-N -1 0 367.431 -0.740 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCCS2(=O)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088914604 836926256 /nfs/dbraw/zinc/92/62/56/836926256.db2.gz LACRTLJEVSOMDD-BFVZDQMLSA-N -1 0 357.436 -0.443 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088914605 836926840 /nfs/dbraw/zinc/92/68/40/836926840.db2.gz LACRTLJEVSOMDD-ISTVAULSSA-N -1 0 357.436 -0.443 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCOCC2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088920930 836927203 /nfs/dbraw/zinc/92/72/03/836927203.db2.gz FUGVBHZEXAHROV-NEPJUHHUSA-N -1 0 352.439 -0.300 20 0 FBADRM CCC(=O)N1CC[C@@H](C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)C1 ZINC001088963316 836933726 /nfs/dbraw/zinc/93/37/26/836933726.db2.gz AWPOBFBURHBORH-UTUOFQBUSA-N -1 0 350.423 -0.152 20 0 FBADRM CCC(=O)N1CC[C@H](C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)C1 ZINC001088963317 836933361 /nfs/dbraw/zinc/93/33/61/836933361.db2.gz AWPOBFBURHBORH-WOPDTQHZSA-N -1 0 350.423 -0.152 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088964135 836933748 /nfs/dbraw/zinc/93/37/48/836933748.db2.gz NIILAUQUNQKQBW-UTUOFQBUSA-N -1 0 371.463 -0.196 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088964136 836933307 /nfs/dbraw/zinc/93/33/07/836933307.db2.gz NIILAUQUNQKQBW-WOPDTQHZSA-N -1 0 371.463 -0.196 20 0 FBADRM CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)C1 ZINC001088965543 836933601 /nfs/dbraw/zinc/93/36/01/836933601.db2.gz UYADGKOXHAHZBF-RSAASHCRSA-N -1 0 350.423 -0.152 20 0 FBADRM CC(=O)N1CC[C@](C)(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)C1 ZINC001088965544 836932636 /nfs/dbraw/zinc/93/26/36/836932636.db2.gz UYADGKOXHAHZBF-XAGWURHQSA-N -1 0 350.423 -0.152 20 0 FBADRM CC[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001088965756 836933437 /nfs/dbraw/zinc/93/34/37/836933437.db2.gz DGKVBLCGUQFBOB-UTUOFQBUSA-N -1 0 350.423 -0.010 20 0 FBADRM CC[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001088965757 836933075 /nfs/dbraw/zinc/93/30/75/836933075.db2.gz DGKVBLCGUQFBOB-WOPDTQHZSA-N -1 0 350.423 -0.010 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2CCCCN2C(N)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088971740 836935032 /nfs/dbraw/zinc/93/50/32/836935032.db2.gz AXOSGPDOABVSLV-OUAUKWLOSA-N -1 0 351.411 -0.478 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCN2C(N)=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088971741 836934929 /nfs/dbraw/zinc/93/49/29/836934929.db2.gz AXOSGPDOABVSLV-VWYCJHECSA-N -1 0 351.411 -0.478 20 0 FBADRM CCc1nnc(CN2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C)o1 ZINC001089006871 836937627 /nfs/dbraw/zinc/93/76/27/836937627.db2.gz CQTGOABNZAUEQR-BDAKNGLRSA-N -1 0 351.367 -0.586 20 0 FBADRM CCc1nc(CN2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C)no1 ZINC001089006874 836936807 /nfs/dbraw/zinc/93/68/07/836936807.db2.gz CTJIRLZACAKYFF-BDAKNGLRSA-N -1 0 351.367 -0.586 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1CCn1cc(Cl)cn1 ZINC001089006876 836936950 /nfs/dbraw/zinc/93/69/50/836936950.db2.gz CUVDUJVUICEQHX-KOLCDFICSA-N -1 0 369.813 -0.182 20 0 FBADRM CCc1nnc(CN2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C)s1 ZINC001089006928 836938605 /nfs/dbraw/zinc/93/86/05/836938605.db2.gz GIHBSMHQTRYMBT-BDAKNGLRSA-N -1 0 367.435 -0.118 20 0 FBADRM Cc1nnsc1CN1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001089006938 836938613 /nfs/dbraw/zinc/93/86/13/836938613.db2.gz GUYYRGIVHAJJLK-BDAKNGLRSA-N -1 0 353.408 -0.372 20 0 FBADRM COc1cc(CN2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C)sn1 ZINC001089006944 836938251 /nfs/dbraw/zinc/93/82/51/836938251.db2.gz HBQKABDWWSSAHM-SCZZXKLOSA-N -1 0 368.419 -0.066 20 0 FBADRM CCn1nncc1CN1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001089006961 836938694 /nfs/dbraw/zinc/93/86/94/836938694.db2.gz HVAZLKSXZOLNLX-KOLCDFICSA-N -1 0 350.383 -0.920 20 0 FBADRM COc1cc(CN2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C)on1 ZINC001089007015 836938593 /nfs/dbraw/zinc/93/85/93/836938593.db2.gz KMTNNCFMSVLRPP-SCZZXKLOSA-N -1 0 352.351 -0.535 20 0 FBADRM Cc1nnc(CN2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C)s1 ZINC001089007106 836938166 /nfs/dbraw/zinc/93/81/66/836938166.db2.gz PFUQXHNDXUVGDK-APPZFPTMSA-N -1 0 353.408 -0.372 20 0 FBADRM CCn1ncnc1CN1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001089007108 836938887 /nfs/dbraw/zinc/93/88/87/836938887.db2.gz PKOMRGMNSUMQMR-ZJUUUORDSA-N -1 0 350.383 -0.920 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1Cc1ncc(Cl)n1C ZINC001089007114 836938372 /nfs/dbraw/zinc/93/83/72/836938372.db2.gz PSMLZUJOYIOLMG-BDAKNGLRSA-N -1 0 369.813 -0.145 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1Cc1nn(C)cc1Cl ZINC001089007189 836938469 /nfs/dbraw/zinc/93/84/69/836938469.db2.gz SXPUXBPLCOOLJV-SCZZXKLOSA-N -1 0 369.813 -0.145 20 0 FBADRM CCn1ncc(CN2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C)n1 ZINC001089007329 836938789 /nfs/dbraw/zinc/93/87/89/836938789.db2.gz ZRQSSSITGAWIQC-KOLCDFICSA-N -1 0 350.383 -0.920 20 0 FBADRM CCc1noc(CN2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C)n1 ZINC001089007449 836938362 /nfs/dbraw/zinc/93/83/62/836938362.db2.gz FWIYPMMSKYRELO-BDAKNGLRSA-N -1 0 351.367 -0.586 20 0 FBADRM CCn1cc(CN2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C)nn1 ZINC001089007584 836938444 /nfs/dbraw/zinc/93/84/44/836938444.db2.gz MZOQJCYOTAJTEP-KOLCDFICSA-N -1 0 350.383 -0.920 20 0 FBADRM COc1nscc1CN1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001089007837 836938806 /nfs/dbraw/zinc/93/88/06/836938806.db2.gz YYRYZQITRHNZID-SCZZXKLOSA-N -1 0 368.419 -0.066 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC(=O)N2C)CCN1Cc1nc(=O)n(C)[nH]1 ZINC001089012778 836935702 /nfs/dbraw/zinc/93/57/02/836935702.db2.gz NEQAIBJFDCZMQF-GRYCIOLGSA-N -1 0 350.423 -0.802 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC(=O)N2C)CCN1Cc1nc(=O)n(C)[nH]1 ZINC001089012779 836936133 /nfs/dbraw/zinc/93/61/33/836936133.db2.gz NEQAIBJFDCZMQF-WOPDTQHZSA-N -1 0 350.423 -0.802 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)CN2CCCCCC2=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001089027475 836940704 /nfs/dbraw/zinc/94/07/04/836940704.db2.gz TXCNVLNABRAGTE-NEPJUHHUSA-N -1 0 350.423 -0.008 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C2CCN(C(N)=O)CC2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001089029511 836940832 /nfs/dbraw/zinc/94/08/32/836940832.db2.gz DAWKTDFLWHGVHH-KOLCDFICSA-N -1 0 351.411 -0.620 20 0 FBADRM CC(=O)N1CCC(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C)CC1 ZINC001089030214 836940858 /nfs/dbraw/zinc/94/08/58/836940858.db2.gz QKIFAYDLWIOCHX-MFKMUULPSA-N -1 0 350.423 -0.152 20 0 FBADRM Cc1csc(=O)n1CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001089033006 836942338 /nfs/dbraw/zinc/94/23/38/836942338.db2.gz UHVAXOWCLANRQK-ZJUUUORDSA-N -1 0 352.420 -0.179 20 0 FBADRM C[C@H](C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C)N1CCCCC1=O ZINC001089058560 836948523 /nfs/dbraw/zinc/94/85/23/836948523.db2.gz XDYBWVBLTSEUKU-UTUOFQBUSA-N -1 0 350.423 -0.010 20 0 FBADRM C[C@@H](C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C)N1CCCCC1=O ZINC001089058561 836948449 /nfs/dbraw/zinc/94/84/49/836948449.db2.gz XDYBWVBLTSEUKU-WOPDTQHZSA-N -1 0 350.423 -0.010 20 0 FBADRM CC1(C)CC[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001089697577 837168159 /nfs/dbraw/zinc/16/81/59/837168159.db2.gz PQKOTBBVANKJHJ-AXFHLTTASA-N -1 0 350.423 -0.262 20 0 FBADRM CC1(C)CC[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001089697579 837168751 /nfs/dbraw/zinc/16/87/51/837168751.db2.gz PQKOTBBVANKJHJ-MXWKQRLJSA-N -1 0 350.423 -0.262 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CN(c2ncccn2)C[C@@H]1O ZINC001091116850 839859147 /nfs/dbraw/zinc/85/91/47/839859147.db2.gz AROJQGGAPNCSFU-BDAKNGLRSA-N -1 0 361.324 -0.401 20 0 FBADRM CN1CCO[C@@H](C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@@]3(C)C2)C1 ZINC001091565422 839918889 /nfs/dbraw/zinc/91/88/89/839918889.db2.gz OQWJETFBOIYULM-HSMVNMDESA-N -1 0 350.423 -0.879 20 0 FBADRM CN1CCO[C@H](C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@@]3(C)C2)C1 ZINC001091565423 839918159 /nfs/dbraw/zinc/91/81/59/839918159.db2.gz OQWJETFBOIYULM-WQGACYEGSA-N -1 0 350.423 -0.879 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CN(CCS(C)(=O)=O)C[C@@]3(C)C2)c1[O-] ZINC001091601640 839922115 /nfs/dbraw/zinc/92/21/15/839922115.db2.gz PGWSLAVCPAMIKW-ABAIWWIYSA-N -1 0 356.448 -0.138 20 0 FBADRM C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)CN1CCOCC1)C2 ZINC001091608136 839925255 /nfs/dbraw/zinc/92/52/55/839925255.db2.gz LPZKBCBUXRZBBO-WBMJQRKESA-N -1 0 350.423 -0.877 20 0 FBADRM CN1CCOC[C@@H]1C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001091612142 839926189 /nfs/dbraw/zinc/92/61/89/839926189.db2.gz MIIDBBGWZJCVBK-HSMVNMDESA-N -1 0 350.423 -0.879 20 0 FBADRM CN1CCOC[C@H]1C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001091612143 839927082 /nfs/dbraw/zinc/92/70/82/839927082.db2.gz MIIDBBGWZJCVBK-WQGACYEGSA-N -1 0 350.423 -0.879 20 0 FBADRM C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)CC1OCCCO1)C2 ZINC001091622386 839928174 /nfs/dbraw/zinc/92/81/74/839928174.db2.gz RHDYLVHFJWHUIH-BZNIZROVSA-N -1 0 351.407 -0.056 20 0 FBADRM C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)CO[C@@H]1CCOC1)C2 ZINC001091669133 839940223 /nfs/dbraw/zinc/94/02/23/839940223.db2.gz HZKBHCDIERIGCP-HSMVNMDESA-N -1 0 351.407 -0.404 20 0 FBADRM C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)CO[C@H]1CCOC1)C2 ZINC001091669134 839939979 /nfs/dbraw/zinc/93/99/79/839939979.db2.gz HZKBHCDIERIGCP-WQGACYEGSA-N -1 0 351.407 -0.404 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001091750321 839955719 /nfs/dbraw/zinc/95/57/19/839955719.db2.gz FOFJLOQVMNLCKN-DZJQYVJYSA-N -1 0 351.407 -0.406 20 0 FBADRM C[C@@H](C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1)S(C)(=O)=O ZINC001091791649 839998110 /nfs/dbraw/zinc/99/81/10/839998110.db2.gz OLVSIWFDUSFOFA-RBZYPMLTSA-N -1 0 357.436 -0.776 20 0 FBADRM C[C@H](C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1)S(C)(=O)=O ZINC001091791650 839998963 /nfs/dbraw/zinc/99/89/63/839998963.db2.gz OLVSIWFDUSFOFA-RULNRJAQSA-N -1 0 357.436 -0.776 20 0 FBADRM C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)CC1CS(=O)(=O)C1)C2 ZINC001091799486 839998047 /nfs/dbraw/zinc/99/80/47/839998047.db2.gz DDAFQOSHNHHKEJ-ABAIWWIYSA-N -1 0 369.447 -0.775 20 0 FBADRM C[C@@]12CN(Cc3cnsn3)C[C@@H]1CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001091822328 840002171 /nfs/dbraw/zinc/00/21/71/840002171.db2.gz KHVCPYHLKOLLSK-CLAHSXSESA-N -1 0 363.403 -0.272 20 0 FBADRM C[C@@]12CN(Cc3nncs3)C[C@@H]1CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001091822447 840002134 /nfs/dbraw/zinc/00/21/34/840002134.db2.gz LFXQZEGMOLEKJW-CLAHSXSESA-N -1 0 363.403 -0.272 20 0 FBADRM C[C@@]12CN(Cc3cnns3)C[C@@H]1CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001091822892 840002944 /nfs/dbraw/zinc/00/29/44/840002944.db2.gz PTMVSMVWGDBMDV-CLAHSXSESA-N -1 0 363.403 -0.272 20 0 FBADRM C[C@@]12CN(Cc3csnn3)C[C@@H]1CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001091824194 840002837 /nfs/dbraw/zinc/00/28/37/840002837.db2.gz PMGMFFNJJLTKOG-CLAHSXSESA-N -1 0 363.403 -0.272 20 0 FBADRM C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC001091831737 840001067 /nfs/dbraw/zinc/00/10/67/840001067.db2.gz VLLSMIYVJHRKQN-HFAKWTLXSA-N -1 0 369.447 -0.775 20 0 FBADRM C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)[C@H]1CCS(=O)(=O)C1)C2 ZINC001091831738 840001102 /nfs/dbraw/zinc/00/11/02/840001102.db2.gz VLLSMIYVJHRKQN-RWSFTLGLSA-N -1 0 369.447 -0.775 20 0 FBADRM CC(C)(C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1)S(C)(=O)=O ZINC001092065509 840016413 /nfs/dbraw/zinc/01/64/13/840016413.db2.gz NYIGCSSRLHTDRG-BMIGLBTASA-N -1 0 371.463 -0.386 20 0 FBADRM C[C@@]12CN(Cc3csnn3)C[C@@H]1CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001092232265 840021491 /nfs/dbraw/zinc/02/14/91/840021491.db2.gz FGUJZXRKXHWVQK-OTYXRUKQSA-N -1 0 365.419 -0.479 20 0 FBADRM C[C@@]12CN(Cc3cnsn3)C[C@@H]1CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001092232434 840022068 /nfs/dbraw/zinc/02/20/68/840022068.db2.gz MDIBUBRJQPJEME-OTYXRUKQSA-N -1 0 365.419 -0.479 20 0 FBADRM C[C@@]12CN(Cc3nncs3)C[C@@H]1CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001092232486 840022213 /nfs/dbraw/zinc/02/22/13/840022213.db2.gz NYRFSPLQTHGTLV-OTYXRUKQSA-N -1 0 365.419 -0.479 20 0 FBADRM C[C@@]12CN(Cc3cnns3)C[C@@H]1CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001092233493 840022627 /nfs/dbraw/zinc/02/26/27/840022627.db2.gz MXXMRXORKPNFOL-OTYXRUKQSA-N -1 0 365.419 -0.479 20 0 FBADRM C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 ZINC001092287920 840027789 /nfs/dbraw/zinc/02/77/89/840027789.db2.gz KTXPDXXDUCAHMU-HFAKWTLXSA-N -1 0 369.447 -0.632 20 0 FBADRM C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 ZINC001092287921 840027578 /nfs/dbraw/zinc/02/75/78/840027578.db2.gz KTXPDXXDUCAHMU-ZETOZRRWSA-N -1 0 369.447 -0.632 20 0 FBADRM Cc1nsc(N2C[C@@H](CNC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H](C)C2)n1 ZINC001092390110 840029122 /nfs/dbraw/zinc/02/91/22/840029122.db2.gz DERLXMNKIJMIQR-VXNVDRBHSA-N -1 0 353.408 -0.262 20 0 FBADRM C[C@@H]1CN(c2ncc(F)cn2)C[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001092390133 840029146 /nfs/dbraw/zinc/02/91/46/840029146.db2.gz DZRFZAHCBHNEEF-RKDXNWHRSA-N -1 0 351.342 -0.493 20 0 FBADRM C[C@@H]1CN(c2nccnc2F)C[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001092390170 840029420 /nfs/dbraw/zinc/02/94/20/840029420.db2.gz GWERAZMWLQGPSS-RKDXNWHRSA-N -1 0 351.342 -0.493 20 0 FBADRM CCc1nsc(N2C[C@@H](CNC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H](C)C2)n1 ZINC001092390220 840028846 /nfs/dbraw/zinc/02/88/46/840028846.db2.gz JCTMKOBLCDQOTR-RKDXNWHRSA-N -1 0 367.435 -0.008 20 0 FBADRM C[C@@H]1CN(c2cc(F)ncn2)C[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001092390324 840029055 /nfs/dbraw/zinc/02/90/55/840029055.db2.gz MGYWTDWELQXSJI-RKDXNWHRSA-N -1 0 351.342 -0.493 20 0 FBADRM C[C@@H]1CN(c2cnc(F)cn2)C[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001092390477 840029353 /nfs/dbraw/zinc/02/93/53/840029353.db2.gz SWZLIZJAKDCMCS-RKDXNWHRSA-N -1 0 351.342 -0.493 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@H]1CCCCS1(=O)=O ZINC001092674579 840047395 /nfs/dbraw/zinc/04/73/95/840047395.db2.gz RTUIDPZFEBOOPM-IJLUTSLNSA-N -1 0 371.463 -0.338 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001092674580 840047428 /nfs/dbraw/zinc/04/74/28/840047428.db2.gz RTUIDPZFEBOOPM-UTUOFQBUSA-N -1 0 371.463 -0.338 20 0 FBADRM Cc1nnc(CN2C[C@@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)[C@H](C)C2)s1 ZINC001092782760 840056013 /nfs/dbraw/zinc/05/60/13/840056013.db2.gz ZDSNMMTYULXGQY-VXNVDRBHSA-N -1 0 365.419 -0.059 20 0 FBADRM C[C@@H]1CN(Cc2cnsn2)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001092783277 840056204 /nfs/dbraw/zinc/05/62/04/840056204.db2.gz AETHGLUOQJGDGA-HTQZYQBOSA-N -1 0 351.392 -0.368 20 0 FBADRM C[C@@H]1CN(Cc2nncs2)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001092783576 840055740 /nfs/dbraw/zinc/05/57/40/840055740.db2.gz HTVZTGWUVIHBBE-HTQZYQBOSA-N -1 0 351.392 -0.368 20 0 FBADRM C[C@@H]1CN(Cc2cnns2)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001092783645 840055837 /nfs/dbraw/zinc/05/58/37/840055837.db2.gz KBMDVDSJRZXTNW-HTQZYQBOSA-N -1 0 351.392 -0.368 20 0 FBADRM C[C@@H]1CN(Cc2csnn2)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001092784235 840055811 /nfs/dbraw/zinc/05/58/11/840055811.db2.gz VVQBYNSNBRZZPT-HTQZYQBOSA-N -1 0 351.392 -0.368 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001092799218 840054335 /nfs/dbraw/zinc/05/43/35/840054335.db2.gz PSDYFBMMWDINRS-GMTAPVOTSA-N -1 0 357.436 -0.871 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001092799219 840054040 /nfs/dbraw/zinc/05/40/40/840054040.db2.gz PSDYFBMMWDINRS-OUAUKWLOSA-N -1 0 357.436 -0.871 20 0 FBADRM C[C@@H]1CN(Cc2cnns2)C[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC001092879844 840058332 /nfs/dbraw/zinc/05/83/32/840058332.db2.gz RJYYRHSVUWXPOG-NXEZZACHSA-N -1 0 364.431 -0.165 20 0 FBADRM C[C@@H]1CN(Cc2cnsn2)C[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC001092879855 840058126 /nfs/dbraw/zinc/05/81/26/840058126.db2.gz RSYJBABOEPBXQO-NXEZZACHSA-N -1 0 364.431 -0.165 20 0 FBADRM C[C@@H]1CN(Cc2nncs2)C[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC001092880097 840058972 /nfs/dbraw/zinc/05/89/72/840058972.db2.gz YETMDJHHEMNYJI-NXEZZACHSA-N -1 0 364.431 -0.165 20 0 FBADRM C[C@@H]1CN(Cc2csnn2)C[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC001092880118 840059226 /nfs/dbraw/zinc/05/92/26/840059226.db2.gz ZMGLDKSXROQLRL-NXEZZACHSA-N -1 0 364.431 -0.165 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001093017085 840069030 /nfs/dbraw/zinc/06/90/30/840069030.db2.gz UIFBKGUGWWQYLB-GRYCIOLGSA-N -1 0 371.463 -0.481 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001093017087 840068851 /nfs/dbraw/zinc/06/88/51/840068851.db2.gz UIFBKGUGWWQYLB-IJLUTSLNSA-N -1 0 371.463 -0.481 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)C1CCS(=O)(=O)CC1 ZINC001093020764 840070280 /nfs/dbraw/zinc/07/02/80/840070280.db2.gz PCQBDQBFLCNMTG-ZYHUDNBSSA-N -1 0 371.463 -0.481 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@H]1CCCS1(=O)=O ZINC001093213982 840086694 /nfs/dbraw/zinc/08/66/94/840086694.db2.gz KRXUTTPMEBEQKE-GMTAPVOTSA-N -1 0 357.436 -0.728 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001093213983 840085722 /nfs/dbraw/zinc/08/57/22/840085722.db2.gz KRXUTTPMEBEQKE-MXWKQRLJSA-N -1 0 357.436 -0.728 20 0 FBADRM O=C(NC[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2)C1CS(=O)(=O)C1 ZINC001094423949 840135798 /nfs/dbraw/zinc/13/57/98/840135798.db2.gz DWWBODSDOXVUDD-IAQYHMDHSA-N -1 0 369.447 -0.584 20 0 FBADRM O=C(CC1CC1)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094599054 840145202 /nfs/dbraw/zinc/14/52/02/840145202.db2.gz XJDMXIMZHKGJBL-WDEREUQCSA-N -1 0 355.420 -0.880 20 0 FBADRM CC(C)(F)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094599063 840145121 /nfs/dbraw/zinc/14/51/21/840145121.db2.gz YDYWKPADBRYMSU-DTWKUNHWSA-N -1 0 361.399 -0.932 20 0 FBADRM O=C(C1CCC1)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094599336 840145056 /nfs/dbraw/zinc/14/50/56/840145056.db2.gz HHQQFDUCVHLQGT-WDEREUQCSA-N -1 0 355.420 -0.880 20 0 FBADRM O=C(C1CCCC1)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094599494 840144777 /nfs/dbraw/zinc/14/47/77/840144777.db2.gz LBRKCLLNUITVFW-NWDGAFQWSA-N -1 0 369.447 -0.490 20 0 FBADRM O=C(c1ccco1)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094600102 840146140 /nfs/dbraw/zinc/14/61/40/840146140.db2.gz DHLJHJCSSAVXBF-VHSXEESVSA-N -1 0 367.387 -0.773 20 0 FBADRM CC(C)CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094602138 840147634 /nfs/dbraw/zinc/14/76/34/840147634.db2.gz VITFOADJECLHQL-WDEREUQCSA-N -1 0 357.436 -0.634 20 0 FBADRM CC(C)=CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094602680 840172135 /nfs/dbraw/zinc/17/21/35/840172135.db2.gz OOTHFQISLWWRQT-WDEREUQCSA-N -1 0 355.420 -0.714 20 0 FBADRM CC(C)(C)CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094606234 840176114 /nfs/dbraw/zinc/17/61/14/840176114.db2.gz MUIZLLMGEAGZQC-WDEREUQCSA-N -1 0 371.463 -0.244 20 0 FBADRM CCC(CC)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094607289 840176960 /nfs/dbraw/zinc/17/69/60/840176960.db2.gz IPJTUHDCOHSGMY-NWDGAFQWSA-N -1 0 371.463 -0.244 20 0 FBADRM CC[C@H](C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094607762 840177510 /nfs/dbraw/zinc/17/75/10/840177510.db2.gz OERIIOIMLOQHRS-GARJFASQSA-N -1 0 357.436 -0.634 20 0 FBADRM CC[C@@H](C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094607763 840177213 /nfs/dbraw/zinc/17/72/13/840177213.db2.gz OERIIOIMLOQHRS-OUAUKWLOSA-N -1 0 357.436 -0.634 20 0 FBADRM O=C(c1ccoc1)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094608072 840177286 /nfs/dbraw/zinc/17/72/86/840177286.db2.gz SSMTUXPOHHRNBT-WDEREUQCSA-N -1 0 367.387 -0.773 20 0 FBADRM O=C(/C=C/C1CC1)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094616224 840189496 /nfs/dbraw/zinc/18/94/96/840189496.db2.gz WWVMKSFBOLBEPT-HEKLCECKSA-N -1 0 367.431 -0.714 20 0 FBADRM O=C(/C=C\C1CC1)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094616225 840189560 /nfs/dbraw/zinc/18/95/60/840189560.db2.gz WWVMKSFBOLBEPT-RRNNCXACSA-N -1 0 367.431 -0.714 20 0 FBADRM O=C(C1CC=CC1)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094617130 840190456 /nfs/dbraw/zinc/19/04/56/840190456.db2.gz LSKIGEJEMVTGOP-NWDGAFQWSA-N -1 0 367.431 -0.714 20 0 FBADRM O=C(CC1CCC1)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094618263 840191693 /nfs/dbraw/zinc/19/16/93/840191693.db2.gz HFSCAIXTERODLC-NWDGAFQWSA-N -1 0 369.447 -0.490 20 0 FBADRM O=C(CCC1CC1)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094618466 840191645 /nfs/dbraw/zinc/19/16/45/840191645.db2.gz PEAYBPIVGAUEPH-NWDGAFQWSA-N -1 0 369.447 -0.490 20 0 FBADRM C[C@@H](C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21)C1CC1 ZINC001094618598 840191746 /nfs/dbraw/zinc/19/17/46/840191746.db2.gz CQUWNTQCYSPFRX-ADEWGFFLSA-N -1 0 369.447 -0.634 20 0 FBADRM C[C@H](C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21)C1CC1 ZINC001094618601 840192553 /nfs/dbraw/zinc/19/25/53/840192553.db2.gz CQUWNTQCYSPFRX-ZMLRMANQSA-N -1 0 369.447 -0.634 20 0 FBADRM C/C=C(/C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094621417 840193600 /nfs/dbraw/zinc/19/36/00/840193600.db2.gz BZRCSKSYXYKXNK-CHFYJCTLSA-N -1 0 355.420 -0.714 20 0 FBADRM C/C=C(\C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094621418 840193359 /nfs/dbraw/zinc/19/33/59/840193359.db2.gz BZRCSKSYXYKXNK-WSAUGYEQSA-N -1 0 355.420 -0.714 20 0 FBADRM O=C(C=C1CCC1)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094622765 840195661 /nfs/dbraw/zinc/19/56/61/840195661.db2.gz IKIIXRHSGQAKAJ-NWDGAFQWSA-N -1 0 367.431 -0.570 20 0 FBADRM O=C(C1=CCCC1)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094623579 840147383 /nfs/dbraw/zinc/14/73/83/840147383.db2.gz CHBQFTQTEYCGNT-NWDGAFQWSA-N -1 0 367.431 -0.570 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCN(CCCF)[C@H]3CS(=O)(=O)C[C@H]32)c1[O-] ZINC001094623833 840148437 /nfs/dbraw/zinc/14/84/37/840148437.db2.gz HLDNNPRYQZMMMD-WDEREUQCSA-N -1 0 360.411 -0.293 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCN(CC3CC3)[C@H]3CS(=O)(=O)C[C@H]32)c1[O-] ZINC001094623878 840148520 /nfs/dbraw/zinc/14/85/20/840148520.db2.gz IGQIMSQKKXSAGO-NWDGAFQWSA-N -1 0 354.432 -0.243 20 0 FBADRM CC1CC(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]3CS(=O)(=O)C[C@H]32)C1 ZINC001094624076 840148591 /nfs/dbraw/zinc/14/85/91/840148591.db2.gz MHHKKGMFPGMHGO-MMVSWEMESA-N -1 0 369.447 -0.634 20 0 FBADRM CC1(C)C[C@H]1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094626626 840150355 /nfs/dbraw/zinc/15/03/55/840150355.db2.gz HIXULDCGPJZXEH-GARJFASQSA-N -1 0 369.447 -0.634 20 0 FBADRM CC1(C)C[C@@H]1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094626627 840150378 /nfs/dbraw/zinc/15/03/78/840150378.db2.gz HIXULDCGPJZXEH-OUAUKWLOSA-N -1 0 369.447 -0.634 20 0 FBADRM CCCCN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094642804 840228371 /nfs/dbraw/zinc/22/83/71/840228371.db2.gz VQCADMPFLHJNHL-VHSXEESVSA-N -1 0 371.419 -0.994 20 0 FBADRM CC1(CC(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]3CS(=O)(=O)C[C@H]32)CC1 ZINC001094645944 840232858 /nfs/dbraw/zinc/23/28/58/840232858.db2.gz ZSHZFQRIBWUEBM-WDEREUQCSA-N -1 0 369.447 -0.490 20 0 FBADRM CC[C@@H](F)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094651523 840237107 /nfs/dbraw/zinc/23/71/07/840237107.db2.gz WLFDBAPFZKOYRV-KXUCPTDWSA-N -1 0 361.399 -0.932 20 0 FBADRM CC[C@H](F)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094651524 840237295 /nfs/dbraw/zinc/23/72/95/840237295.db2.gz WLFDBAPFZKOYRV-LPEHRKFASA-N -1 0 361.399 -0.932 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094662390 840201389 /nfs/dbraw/zinc/20/13/89/840201389.db2.gz QNATZJDXGPJPSO-WISYIIOYSA-N -1 0 369.447 -0.634 20 0 FBADRM O=C([C@@H]1CC12CC2)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094663553 840202393 /nfs/dbraw/zinc/20/23/93/840202393.db2.gz SORRTGCMMRBXTR-GARJFASQSA-N -1 0 367.431 -0.880 20 0 FBADRM O=C([C@H]1CC12CC2)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094663554 840201949 /nfs/dbraw/zinc/20/19/49/840201949.db2.gz SORRTGCMMRBXTR-OUAUKWLOSA-N -1 0 367.431 -0.880 20 0 FBADRM CC(C)[C@@H](C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094666327 840206117 /nfs/dbraw/zinc/20/61/17/840206117.db2.gz WSLNOWKXYDCZOI-GRYCIOLGSA-N -1 0 371.463 -0.388 20 0 FBADRM CC(C)[C@H](C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094666328 840206198 /nfs/dbraw/zinc/20/61/98/840206198.db2.gz WSLNOWKXYDCZOI-SDDRHHMPSA-N -1 0 371.463 -0.388 20 0 FBADRM CCN1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094674666 840218501 /nfs/dbraw/zinc/21/85/01/840218501.db2.gz ZUZKAXXBJZVEAN-WDEREUQCSA-N -1 0 366.399 -0.128 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@H]1CCCCS1(=O)=O ZINC001095529133 842009279 /nfs/dbraw/zinc/00/92/79/842009279.db2.gz FSGJFWWEYDAKQF-NOOOWODRSA-N -1 0 369.447 -0.301 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCCS1(=O)=O ZINC001095529134 842008832 /nfs/dbraw/zinc/00/88/32/842008832.db2.gz FSGJFWWEYDAKQF-RHYQMDGZSA-N -1 0 369.447 -0.301 20 0 FBADRM C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)O1 ZINC001095611047 842012292 /nfs/dbraw/zinc/01/22/92/842012292.db2.gz AWAKAADECFYHGB-NAWOPXAZSA-N -1 0 350.423 -0.549 20 0 FBADRM O=C(CC1CS(=O)(=O)C1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001095650506 842014619 /nfs/dbraw/zinc/01/46/19/842014619.db2.gz XRDHLFWFSNNLPU-VWYCJHECSA-N -1 0 355.420 -0.834 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001095655858 842015092 /nfs/dbraw/zinc/01/50/92/842015092.db2.gz WUCMIKHTEHSUGL-MROQNXINSA-N -1 0 350.423 -0.548 20 0 FBADRM CCN1CCOC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001095655859 842014961 /nfs/dbraw/zinc/01/49/61/842014961.db2.gz WUCMIKHTEHSUGL-VOAKCMCISA-N -1 0 350.423 -0.548 20 0 FBADRM Cc1nnc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C3)s1 ZINC001095693170 842014395 /nfs/dbraw/zinc/01/43/95/842014395.db2.gz JQPBQZBVEZGJNR-VGMNWLOBSA-N -1 0 363.403 -0.022 20 0 FBADRM C[C@H](C(=O)N(C)C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001095694181 842015757 /nfs/dbraw/zinc/01/57/57/842015757.db2.gz OFBLLPGDTSRJHU-IMSYWVGJSA-N -1 0 350.379 -0.905 20 0 FBADRM C[C@@H](C(=O)N(C)C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001095694182 842015396 /nfs/dbraw/zinc/01/53/96/842015396.db2.gz OFBLLPGDTSRJHU-JXUBOQSCSA-N -1 0 350.379 -0.905 20 0 FBADRM Cc1nnsc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001095694431 842015961 /nfs/dbraw/zinc/01/59/61/842015961.db2.gz ZXCGTVFSJFNKFB-VGMNWLOBSA-N -1 0 363.403 -0.022 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC001095713606 842015942 /nfs/dbraw/zinc/01/59/42/842015942.db2.gz ZYSGTKRWLZLQHX-VLEAKVRGSA-N -1 0 355.420 -0.834 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC001095713607 842015899 /nfs/dbraw/zinc/01/58/99/842015899.db2.gz ZYSGTKRWLZLQHX-ZNSHCXBVSA-N -1 0 355.420 -0.834 20 0 FBADRM O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001095714868 842016723 /nfs/dbraw/zinc/01/67/23/842016723.db2.gz WLSPRSJQLFDUSU-USZNOCQGSA-N -1 0 369.447 -0.443 20 0 FBADRM O=C(C[C@H]1CCS(=O)(=O)C1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001095714869 842016962 /nfs/dbraw/zinc/01/69/62/842016962.db2.gz WLSPRSJQLFDUSU-WYUUTHIRSA-N -1 0 369.447 -0.443 20 0 FBADRM O=C(C[C@@H]1CCCS1(=O)=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001095816924 842073345 /nfs/dbraw/zinc/07/33/45/842073345.db2.gz KZCPPIVMOFWQSL-RHYQMDGZSA-N -1 0 369.447 -0.301 20 0 FBADRM O=C(C[C@H]1CCCS1(=O)=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001095816925 842073752 /nfs/dbraw/zinc/07/37/52/842073752.db2.gz KZCPPIVMOFWQSL-WYUUTHIRSA-N -1 0 369.447 -0.301 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@H]1CCCS(=O)(=O)C1 ZINC001096093449 842120080 /nfs/dbraw/zinc/12/00/80/842120080.db2.gz IDYAQSJNOYZIFX-USZNOCQGSA-N -1 0 369.447 -0.443 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCS(=O)(=O)C1 ZINC001096093450 842119819 /nfs/dbraw/zinc/11/98/19/842119819.db2.gz IDYAQSJNOYZIFX-WYUUTHIRSA-N -1 0 369.447 -0.443 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)C1CCS(=O)(=O)CC1 ZINC001096097832 842119974 /nfs/dbraw/zinc/11/99/74/842119974.db2.gz LZQPKTVEFLVOKB-WOPDTQHZSA-N -1 0 369.447 -0.443 20 0 FBADRM C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)CCCS1(=O)=O ZINC001096144533 842121701 /nfs/dbraw/zinc/12/17/01/842121701.db2.gz PVGUEOMAAIRQRM-DZHLUBAWSA-N -1 0 369.447 -0.301 20 0 FBADRM C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)CCCS1(=O)=O ZINC001096144537 842121552 /nfs/dbraw/zinc/12/15/52/842121552.db2.gz PVGUEOMAAIRQRM-LMCGPQHNSA-N -1 0 369.447 -0.301 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cnns1 ZINC001096437335 842128559 /nfs/dbraw/zinc/12/85/59/842128559.db2.gz AUZBXQHSGAAXQB-JEZHCXPESA-N -1 0 351.392 -0.538 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cnsn1 ZINC001096437699 842127868 /nfs/dbraw/zinc/12/78/68/842127868.db2.gz KJWFLRDFAYPGAV-UTLUCORTSA-N -1 0 351.392 -0.538 20 0 FBADRM Cc1nnc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C3)s1 ZINC001096438023 842128272 /nfs/dbraw/zinc/12/82/72/842128272.db2.gz OFBQBUCSBFAYCR-UTLUCORTSA-N -1 0 365.419 -0.229 20 0 FBADRM Cc1nnsc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001096438027 842127785 /nfs/dbraw/zinc/12/77/85/842127785.db2.gz OIBJOPSZJZAIRB-UTLUCORTSA-N -1 0 365.419 -0.229 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nncs1 ZINC001096438506 842128416 /nfs/dbraw/zinc/12/84/16/842128416.db2.gz XCRZMGSIVURCDM-VGMNWLOBSA-N -1 0 351.392 -0.538 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1csnn1 ZINC001096440709 842128430 /nfs/dbraw/zinc/12/84/30/842128430.db2.gz NSLYOQZZRDALKP-UTLUCORTSA-N -1 0 351.392 -0.538 20 0 FBADRM Cc1csc(=O)n1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001096530251 842129005 /nfs/dbraw/zinc/12/90/05/842129005.db2.gz YLLTYPXWMSSRAS-VWYCJHECSA-N -1 0 364.431 -0.036 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCS1(=O)=O ZINC001096580835 842134619 /nfs/dbraw/zinc/13/46/19/842134619.db2.gz WRVGBAVJWWXCLN-RCWTZXSCSA-N -1 0 355.420 -0.691 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@H]1CCCS1(=O)=O ZINC001096580845 842134415 /nfs/dbraw/zinc/13/44/15/842134415.db2.gz WRVGBAVJWWXCLN-VPOLOUISSA-N -1 0 355.420 -0.691 20 0 FBADRM CCN1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)C1 ZINC001096584055 842133991 /nfs/dbraw/zinc/13/39/91/842133991.db2.gz SLAUKLQNHYLWHP-MROQNXINSA-N -1 0 350.423 -0.548 20 0 FBADRM CCN1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)C1 ZINC001096584056 842134560 /nfs/dbraw/zinc/13/45/60/842134560.db2.gz SLAUKLQNHYLWHP-VOAKCMCISA-N -1 0 350.423 -0.548 20 0 FBADRM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)N1CCOCC1 ZINC001096679278 842136146 /nfs/dbraw/zinc/13/61/46/842136146.db2.gz XJDGESCXMVYLFZ-RNJOBUHISA-N -1 0 350.423 -0.548 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@H]1CCCCS1(=O)=O ZINC001097213460 842146551 /nfs/dbraw/zinc/14/65/51/842146551.db2.gz FSGJFWWEYDAKQF-WISYIIOYSA-N -1 0 369.447 -0.301 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCCS1(=O)=O ZINC001097213461 842145688 /nfs/dbraw/zinc/14/56/88/842145688.db2.gz FSGJFWWEYDAKQF-WYUUTHIRSA-N -1 0 369.447 -0.301 20 0 FBADRM C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)O1 ZINC001097322784 842147221 /nfs/dbraw/zinc/14/72/21/842147221.db2.gz AWAKAADECFYHGB-NJMOYASZSA-N -1 0 350.423 -0.549 20 0 FBADRM O=C(CC1CS(=O)(=O)C1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001097377406 842149129 /nfs/dbraw/zinc/14/91/29/842149129.db2.gz XRDHLFWFSNNLPU-MXWKQRLJSA-N -1 0 355.420 -0.834 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001097388896 842148767 /nfs/dbraw/zinc/14/87/67/842148767.db2.gz WUCMIKHTEHSUGL-FVCCEPFGSA-N -1 0 350.423 -0.548 20 0 FBADRM CCN1CCOC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001097388899 842148898 /nfs/dbraw/zinc/14/88/98/842148898.db2.gz WUCMIKHTEHSUGL-NDBYEHHHSA-N -1 0 350.423 -0.548 20 0 FBADRM Cc1nnc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C3)s1 ZINC001097444828 842149816 /nfs/dbraw/zinc/14/98/16/842149816.db2.gz JQPBQZBVEZGJNR-HLTSFMKQSA-N -1 0 363.403 -0.022 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC001097471478 842151230 /nfs/dbraw/zinc/15/12/30/842151230.db2.gz ZYSGTKRWLZLQHX-DBIOUOCHSA-N -1 0 355.420 -0.834 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC001097471479 842151443 /nfs/dbraw/zinc/15/14/43/842151443.db2.gz ZYSGTKRWLZLQHX-ZDCRXTMVSA-N -1 0 355.420 -0.834 20 0 FBADRM O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001097472158 842151124 /nfs/dbraw/zinc/15/11/24/842151124.db2.gz WLSPRSJQLFDUSU-KKOKHZNYSA-N -1 0 369.447 -0.443 20 0 FBADRM O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001097472159 842151166 /nfs/dbraw/zinc/15/11/66/842151166.db2.gz WLSPRSJQLFDUSU-QCNOEVLYSA-N -1 0 369.447 -0.443 20 0 FBADRM O=C(C[C@H]1CCCS1(=O)=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001097584260 842154021 /nfs/dbraw/zinc/15/40/21/842154021.db2.gz KZCPPIVMOFWQSL-KKOKHZNYSA-N -1 0 369.447 -0.301 20 0 FBADRM O=C(C[C@@H]1CCCS1(=O)=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001097584261 842154039 /nfs/dbraw/zinc/15/40/39/842154039.db2.gz KZCPPIVMOFWQSL-KXNHARMFSA-N -1 0 369.447 -0.301 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCS(=O)(=O)C1 ZINC001097966734 842160315 /nfs/dbraw/zinc/16/03/15/842160315.db2.gz IDYAQSJNOYZIFX-KKOKHZNYSA-N -1 0 369.447 -0.443 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@H]1CCCS(=O)(=O)C1 ZINC001097966736 842160180 /nfs/dbraw/zinc/16/01/80/842160180.db2.gz IDYAQSJNOYZIFX-QCNOEVLYSA-N -1 0 369.447 -0.443 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)C1CCS(=O)(=O)CC1 ZINC001097968099 842160574 /nfs/dbraw/zinc/16/05/74/842160574.db2.gz LZQPKTVEFLVOKB-UTUOFQBUSA-N -1 0 369.447 -0.443 20 0 FBADRM C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)CCCS1(=O)=O ZINC001098021506 842163089 /nfs/dbraw/zinc/16/30/89/842163089.db2.gz PVGUEOMAAIRQRM-OZWUEAAUSA-N -1 0 369.447 -0.301 20 0 FBADRM C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)CCCS1(=O)=O ZINC001098021507 842163299 /nfs/dbraw/zinc/16/32/99/842163299.db2.gz PVGUEOMAAIRQRM-YYHMBLRTSA-N -1 0 369.447 -0.301 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cnns1 ZINC001098287437 837253283 /nfs/dbraw/zinc/25/32/83/837253283.db2.gz AUZBXQHSGAAXQB-QNSHHTMESA-N -1 0 351.392 -0.538 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cnsn1 ZINC001098287588 842378695 /nfs/dbraw/zinc/37/86/95/842378695.db2.gz KJWFLRDFAYPGAV-BBBLOLIVSA-N -1 0 351.392 -0.538 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1csnn1 ZINC001098287651 837255158 /nfs/dbraw/zinc/25/51/58/837255158.db2.gz NSLYOQZZRDALKP-BBBLOLIVSA-N -1 0 351.392 -0.538 20 0 FBADRM Cc1nnc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C3)s1 ZINC001098287662 842379337 /nfs/dbraw/zinc/37/93/37/842379337.db2.gz OFBQBUCSBFAYCR-BBBLOLIVSA-N -1 0 365.419 -0.229 20 0 FBADRM Cc1nnsc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001098287664 842379489 /nfs/dbraw/zinc/37/94/89/842379489.db2.gz OIBJOPSZJZAIRB-BBBLOLIVSA-N -1 0 365.419 -0.229 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nncs1 ZINC001098287832 837254679 /nfs/dbraw/zinc/25/46/79/837254679.db2.gz XCRZMGSIVURCDM-HLTSFMKQSA-N -1 0 351.392 -0.538 20 0 FBADRM Cc1csc(=O)n1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001098379597 842380679 /nfs/dbraw/zinc/38/06/79/842380679.db2.gz YLLTYPXWMSSRAS-MXWKQRLJSA-N -1 0 364.431 -0.036 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@H]1CCCS1(=O)=O ZINC001098444864 842386418 /nfs/dbraw/zinc/38/64/18/842386418.db2.gz WRVGBAVJWWXCLN-CHWFTXMASA-N -1 0 355.420 -0.691 20 0 FBADRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCS1(=O)=O ZINC001098444865 842386204 /nfs/dbraw/zinc/38/62/04/842386204.db2.gz WRVGBAVJWWXCLN-ZNSHCXBVSA-N -1 0 355.420 -0.691 20 0 FBADRM CCN1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)C1 ZINC001098446955 842386248 /nfs/dbraw/zinc/38/62/48/842386248.db2.gz SLAUKLQNHYLWHP-FVCCEPFGSA-N -1 0 350.423 -0.548 20 0 FBADRM CCN1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)C1 ZINC001098446956 842385247 /nfs/dbraw/zinc/38/52/47/842385247.db2.gz SLAUKLQNHYLWHP-NDBYEHHHSA-N -1 0 350.423 -0.548 20 0 FBADRM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)N1CCOCC1 ZINC001098519974 842389611 /nfs/dbraw/zinc/38/96/11/842389611.db2.gz XJDGESCXMVYLFZ-LOWDOPEQSA-N -1 0 350.423 -0.548 20 0 FBADRM CN1CCO[C@H](C(=O)N[C@]23CCC[C@H]2CN(Cc2n[nH]c(=O)[n-]2)C3)C1 ZINC001098773281 842391188 /nfs/dbraw/zinc/39/11/88/842391188.db2.gz CQOIPOUXIGMGGM-MKBNYLNASA-N -1 0 350.423 -0.688 20 0 FBADRM CN1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2CN(Cc2n[nH]c(=O)[n-]2)C3)C1 ZINC001098773282 842390633 /nfs/dbraw/zinc/39/06/33/842390633.db2.gz CQOIPOUXIGMGGM-OZVIIMIRSA-N -1 0 350.423 -0.688 20 0 FBADRM O=C(CN1CCOCC1)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001098800021 842392714 /nfs/dbraw/zinc/39/27/14/842392714.db2.gz SXISTVRVCUVHTH-LRDDRELGSA-N -1 0 350.423 -0.687 20 0 FBADRM CN1CCOC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001098800436 842393776 /nfs/dbraw/zinc/39/37/76/842393776.db2.gz BNNFDLLUSSCLJL-MKBNYLNASA-N -1 0 350.423 -0.688 20 0 FBADRM CN1CCOC[C@@H]1C(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001098800437 842394212 /nfs/dbraw/zinc/39/42/12/842394212.db2.gz BNNFDLLUSSCLJL-OZVIIMIRSA-N -1 0 350.423 -0.688 20 0 FBADRM O=C(N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2)C1CS(=O)(=O)C1 ZINC001098854424 842395362 /nfs/dbraw/zinc/39/53/62/842395362.db2.gz IKNPOYYGRHGGNU-HZMBPMFUSA-N -1 0 355.420 -0.974 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001098882658 842397231 /nfs/dbraw/zinc/39/72/31/842397231.db2.gz OMJNQVJJMCLYES-GPMKHBRKSA-N -1 0 351.407 -0.215 20 0 FBADRM O=C(CC1CS(=O)(=O)C1)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001098910481 842398492 /nfs/dbraw/zinc/39/84/92/842398492.db2.gz JDUCMQQKTBMFNA-NHYWBVRUSA-N -1 0 369.447 -0.584 20 0 FBADRM O=C(N[C@]12CCC[C@H]1CN(Cc1cnns1)C2)c1n[nH]c(=O)[n-]c1=O ZINC001098923295 842398018 /nfs/dbraw/zinc/39/80/18/842398018.db2.gz HCGHLTBMAICJBI-RTHLEPHNSA-N -1 0 363.403 -0.081 20 0 FBADRM O=C(N[C@]12CCC[C@H]1CN(Cc1cnsn1)C2)c1n[nH]c(=O)[n-]c1=O ZINC001098923311 842398840 /nfs/dbraw/zinc/39/88/40/842398840.db2.gz IAPKIDAAVAVPAI-RTHLEPHNSA-N -1 0 363.403 -0.081 20 0 FBADRM O=C(N[C@]12CCC[C@H]1CN(Cc1nncs1)C2)c1n[nH]c(=O)[n-]c1=O ZINC001098923481 842400235 /nfs/dbraw/zinc/40/02/35/842400235.db2.gz ONCFZOUFNVUOML-RTHLEPHNSA-N -1 0 363.403 -0.081 20 0 FBADRM O=C(N[C@]12CCC[C@H]1CN(Cc1csnn1)C2)c1n[nH]c(=O)[n-]c1=O ZINC001098923520 842399780 /nfs/dbraw/zinc/39/97/80/842399780.db2.gz QOJOQCRZMSRIKM-RTHLEPHNSA-N -1 0 363.403 -0.081 20 0 FBADRM O=C(N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2)[C@H]1CCS(=O)(=O)C1 ZINC001098930903 842400283 /nfs/dbraw/zinc/40/02/83/842400283.db2.gz KMBWMRXBRIOGSI-PGUXBMHVSA-N -1 0 369.447 -0.584 20 0 FBADRM O=C(N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2)[C@@H]1CCS(=O)(=O)C1 ZINC001098930904 842400261 /nfs/dbraw/zinc/40/02/61/842400261.db2.gz KMBWMRXBRIOGSI-ZETOZRRWSA-N -1 0 369.447 -0.584 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@]12CCC[C@H]1CN(Cc1nncs1)C2 ZINC001099138260 842405497 /nfs/dbraw/zinc/40/54/97/842405497.db2.gz BEWRXCNPZGZQPB-XPTSAGLGSA-N -1 0 365.419 -0.288 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@]12CCC[C@H]1CN(Cc1csnn1)C2 ZINC001099138398 842405873 /nfs/dbraw/zinc/40/58/73/842405873.db2.gz HWALXFJKQXFWES-XPTSAGLGSA-N -1 0 365.419 -0.288 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@]12CCC[C@H]1CN(Cc1cnsn1)C2 ZINC001099138842 842405859 /nfs/dbraw/zinc/40/58/59/842405859.db2.gz PCDXCKVLYFRMQP-XPTSAGLGSA-N -1 0 365.419 -0.288 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@]12CCC[C@H]1CN(Cc1cnns1)C2 ZINC001099138950 842405152 /nfs/dbraw/zinc/40/51/52/842405152.db2.gz SYFICSWENWMXBD-XPTSAGLGSA-N -1 0 365.419 -0.288 20 0 FBADRM O=C(N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2)[C@@H]1CCCS1(=O)=O ZINC001099170510 842408492 /nfs/dbraw/zinc/40/84/92/842408492.db2.gz FWDDRSQTICWBEH-PGUXBMHVSA-N -1 0 369.447 -0.442 20 0 FBADRM O=C(N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2)[C@H]1CCCS1(=O)=O ZINC001099170511 842408674 /nfs/dbraw/zinc/40/86/74/842408674.db2.gz FWDDRSQTICWBEH-RWSFTLGLSA-N -1 0 369.447 -0.442 20 0 FBADRM O=C(C1=COCCO1)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099205744 837054094 /nfs/dbraw/zinc/05/40/94/837054094.db2.gz SJOULYKSILRXOB-HTQZYQBOSA-N -1 0 363.296 -0.123 20 0 FBADRM O=C(Cn1cccn1)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099211049 842410197 /nfs/dbraw/zinc/41/01/97/842410197.db2.gz BQGUITQYYKLNBU-RKDXNWHRSA-N -1 0 359.312 -0.114 20 0 FBADRM O=C([C@@H]1COCCO1)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099217073 842411132 /nfs/dbraw/zinc/41/11/32/842411132.db2.gz WQTBPQGXNBCCFD-HLTSFMKQSA-N -1 0 365.312 -0.595 20 0 FBADRM O=C([C@H]1COCCO1)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099217074 842411780 /nfs/dbraw/zinc/41/17/80/842411780.db2.gz WQTBPQGXNBCCFD-IWSPIJDZSA-N -1 0 365.312 -0.595 20 0 FBADRM CS(=O)(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099221431 842411226 /nfs/dbraw/zinc/41/12/26/842411226.db2.gz GMTLIRYYFXUMCN-RNFRBKRXSA-N -1 0 371.341 -0.966 20 0 FBADRM O=C([C@H]1CCC(=O)N1)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099224912 842413382 /nfs/dbraw/zinc/41/33/82/842413382.db2.gz RHGPOCDFPNXKML-BWZBUEFSSA-N -1 0 362.312 -0.732 20 0 FBADRM O=C(Cc1cc[nH]n1)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099229117 842412925 /nfs/dbraw/zinc/41/29/25/842412925.db2.gz APUZRSRCYQHTTF-RKDXNWHRSA-N -1 0 359.312 -0.045 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](N[C@H]3CCNC3=O)C2)c1[O-] ZINC001099241649 842413914 /nfs/dbraw/zinc/41/39/14/842413914.db2.gz ZIGZDXKLTWNVLV-HRDYMLBCSA-N -1 0 361.324 -0.095 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](N[C@@H]3CCNC3=O)C2)c1[O-] ZINC001099241650 842414493 /nfs/dbraw/zinc/41/44/93/842414493.db2.gz ZIGZDXKLTWNVLV-IWSPIJDZSA-N -1 0 361.324 -0.095 20 0 FBADRM O=C([C@H]1COC(=O)N1)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099245427 842415831 /nfs/dbraw/zinc/41/58/31/842415831.db2.gz BRIQEAWIRRBINW-FSDSQADBSA-N -1 0 364.284 -0.902 20 0 FBADRM O=C([C@@H]1COC(=O)N1)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099245433 842415508 /nfs/dbraw/zinc/41/55/08/842415508.db2.gz BRIQEAWIRRBINW-QYNIQEEDSA-N -1 0 364.284 -0.902 20 0 FBADRM Cn1[nH]c(CN[C@@H]2CN(C(=O)CC(C)(C)O)C[C@H]2C(F)(F)F)nc1=O ZINC001099246929 837099399 /nfs/dbraw/zinc/09/93/99/837099399.db2.gz KYDXCDAJLVBJBK-RKDXNWHRSA-N -1 0 365.356 -0.252 20 0 FBADRM Cn1nncc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099247185 842415952 /nfs/dbraw/zinc/41/59/52/842415952.db2.gz XTTZOINBSCFXGR-RNFRBKRXSA-N -1 0 360.300 -0.569 20 0 FBADRM Cn1cnc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCc3n[nH]c(=O)[n-]3)C2)n1 ZINC001099247480 842415444 /nfs/dbraw/zinc/41/54/44/842415444.db2.gz APOJCPWOZNIPMO-RNFRBKRXSA-N -1 0 360.300 -0.569 20 0 FBADRM Cn1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001099249565 842416531 /nfs/dbraw/zinc/41/65/31/842416531.db2.gz YUKMTJWAJXUSAX-RNFRBKRXSA-N -1 0 360.300 -0.569 20 0 FBADRM O=C(Cn1nccn1)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099256493 842418689 /nfs/dbraw/zinc/41/86/89/842418689.db2.gz MWLKFATYJGCPMK-HTQZYQBOSA-N -1 0 360.300 -0.719 20 0 FBADRM CC(C)(C(N)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099265323 842418578 /nfs/dbraw/zinc/41/85/78/842418578.db2.gz JBTPJOHLSOOZRG-RNFRBKRXSA-N -1 0 364.328 -0.499 20 0 FBADRM Cc1n[nH]nc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099289429 842422450 /nfs/dbraw/zinc/42/24/50/842422450.db2.gz MKNXLEGQKVWJJY-RNFRBKRXSA-N -1 0 360.300 -0.270 20 0 FBADRM O=C([C@@H]1CCNC1=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099290629 842423810 /nfs/dbraw/zinc/42/38/10/842423810.db2.gz YFFHEMZPOBLSCS-BWZBUEFSSA-N -1 0 362.312 -0.875 20 0 FBADRM O=C([C@H]1CCNC1=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099290630 842423318 /nfs/dbraw/zinc/42/33/18/842423318.db2.gz YFFHEMZPOBLSCS-XLPZGREQSA-N -1 0 362.312 -0.875 20 0 FBADRM O=C([C@H]1[C@@H]2COC[C@@H]21)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099293445 842423724 /nfs/dbraw/zinc/42/37/24/842423724.db2.gz NDVDQPMUVDIUFJ-LALMQGGXSA-N -1 0 361.324 -0.118 20 0 FBADRM NC(=O)C1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001099300559 842425993 /nfs/dbraw/zinc/42/59/93/842425993.db2.gz MTIWDECASRSIKE-RNFRBKRXSA-N -1 0 362.312 -0.745 20 0 FBADRM NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099307248 842427535 /nfs/dbraw/zinc/42/75/35/842427535.db2.gz LAEULHLEKVLIKT-ULAWRXDQSA-N -1 0 362.312 -0.889 20 0 FBADRM O=C(Cc1cnc[nH]1)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099312599 842427546 /nfs/dbraw/zinc/42/75/46/842427546.db2.gz ACWNBUNJWYIPJA-RKDXNWHRSA-N -1 0 359.312 -0.045 20 0 FBADRM Cn1ncc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCc3n[nH]c(=O)[n-]3)C2)n1 ZINC001099322333 842429942 /nfs/dbraw/zinc/42/99/42/842429942.db2.gz XOSCTJDARQJXFL-HTRCEHHLSA-N -1 0 360.300 -0.569 20 0 FBADRM O=C(Cc1ncc[nH]1)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099324838 842429472 /nfs/dbraw/zinc/42/94/72/842429472.db2.gz CSHBXIJTEODPRO-HTQZYQBOSA-N -1 0 359.312 -0.045 20 0 FBADRM O=C(Cc1nnc[nH]1)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099331150 842431037 /nfs/dbraw/zinc/43/10/37/842431037.db2.gz BSQMCGKUALXSNV-RNFRBKRXSA-N -1 0 360.300 -0.650 20 0 FBADRM O=C([C@@H]1CCC(=O)N1)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099334431 842432202 /nfs/dbraw/zinc/43/22/02/842432202.db2.gz RHGPOCDFPNXKML-GJMOJQLCSA-N -1 0 362.312 -0.732 20 0 FBADRM O=C(Cn1cncn1)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099339957 842433250 /nfs/dbraw/zinc/43/32/50/842433250.db2.gz KGZBSZMRVLWKEX-HTQZYQBOSA-N -1 0 360.300 -0.719 20 0 FBADRM Cc1nonc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099348607 842435125 /nfs/dbraw/zinc/43/51/25/842435125.db2.gz JOWXIBGPOWCOKR-RNFRBKRXSA-N -1 0 361.284 -0.006 20 0 FBADRM O=C(Cn1ccnc1)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001099349470 842434779 /nfs/dbraw/zinc/43/47/79/842434779.db2.gz WXXMUWJOAATPTO-RKDXNWHRSA-N -1 0 359.312 -0.114 20 0 FBADRM CCCC(=O)NCC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001101155197 842448445 /nfs/dbraw/zinc/44/84/45/842448445.db2.gz MEKWPXLRTLAUBX-BZNIZROVSA-N -1 0 350.423 -0.293 20 0 FBADRM CCNC(=O)CCC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001101170426 842449927 /nfs/dbraw/zinc/44/99/27/842449927.db2.gz FJNYKEGXDSMDAX-BZNIZROVSA-N -1 0 350.423 -0.293 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CN(CC(=O)NC(N)=O)C[C@@]3(C)C2)c1[O-] ZINC001101196822 842453225 /nfs/dbraw/zinc/45/32/25/842453225.db2.gz XTCQUMKTCDWCOZ-PSLIRLAXSA-N -1 0 350.379 -0.987 20 0 FBADRM CNC(=O)CCCC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001101209932 842454697 /nfs/dbraw/zinc/45/46/97/842454697.db2.gz KMCWRGXUWOLPMF-BZNIZROVSA-N -1 0 350.423 -0.293 20 0 FBADRM CNC(=O)NCCC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001101227132 842460602 /nfs/dbraw/zinc/46/06/02/842460602.db2.gz UYXZYBWHGFDDKR-BMIGLBTASA-N -1 0 351.411 -0.890 20 0 FBADRM C[C@H](CC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1)NC(N)=O ZINC001101236293 842459494 /nfs/dbraw/zinc/45/94/94/842459494.db2.gz QOEFVCIPLIRFGY-FCHSOHFDSA-N -1 0 351.411 -0.763 20 0 FBADRM C[C@@H](CC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1)NC(N)=O ZINC001101236298 842459700 /nfs/dbraw/zinc/45/97/00/842459700.db2.gz QOEFVCIPLIRFGY-WMFXKJRFSA-N -1 0 351.411 -0.763 20 0 FBADRM CCC(=O)N[C@@H](C)C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001101247562 842463224 /nfs/dbraw/zinc/46/32/24/842463224.db2.gz KXZOMIUQAXUDGU-USBNGQNGSA-N -1 0 350.423 -0.295 20 0 FBADRM CCC(=O)N[C@H](C)C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001101247563 842463126 /nfs/dbraw/zinc/46/31/26/842463126.db2.gz KXZOMIUQAXUDGU-UVWXRNBGSA-N -1 0 350.423 -0.295 20 0 FBADRM C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2 ZINC001101281299 842471256 /nfs/dbraw/zinc/47/12/56/842471256.db2.gz MCWSKEYEMVDPIJ-YGRLFVJLSA-N -1 0 357.436 -0.775 20 0 FBADRM C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)C(=O)NCC(F)F)C2 ZINC001101288318 842473935 /nfs/dbraw/zinc/47/39/35/842473935.db2.gz KSJKQARZJODGFW-CLAHSXSESA-N -1 0 358.349 -0.828 20 0 FBADRM COC[C@@H](OC)C(=O)N1C[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@]2(C)C1 ZINC001101357350 842485127 /nfs/dbraw/zinc/48/51/27/842485127.db2.gz JFWXDIWDVVYXEH-HSMVNMDESA-N -1 0 353.423 -0.950 20 0 FBADRM COC[C@H](OC)C(=O)N1C[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@]2(C)C1 ZINC001101357351 842484647 /nfs/dbraw/zinc/48/46/47/842484647.db2.gz JFWXDIWDVVYXEH-WQGACYEGSA-N -1 0 353.423 -0.950 20 0 FBADRM CC[C@@H](NC(C)=O)C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001101371559 842486096 /nfs/dbraw/zinc/48/60/96/842486096.db2.gz HBZYRZVLZIMTAV-HSMVNMDESA-N -1 0 350.423 -0.295 20 0 FBADRM CC[C@H](NC(C)=O)C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001101371560 842486900 /nfs/dbraw/zinc/48/69/00/842486900.db2.gz HBZYRZVLZIMTAV-WQGACYEGSA-N -1 0 350.423 -0.295 20 0 FBADRM COCCO[C@H](C)C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001101382600 842489197 /nfs/dbraw/zinc/48/91/97/842489197.db2.gz OGBQWMABRALGAZ-HSMVNMDESA-N -1 0 353.423 -0.158 20 0 FBADRM COCCO[C@@H](C)C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001101382601 842489349 /nfs/dbraw/zinc/48/93/49/842489349.db2.gz OGBQWMABRALGAZ-OZVIIMIRSA-N -1 0 353.423 -0.158 20 0 FBADRM C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)CCCS(C)(=O)=O)C2 ZINC001101390787 842490802 /nfs/dbraw/zinc/49/08/02/842490802.db2.gz NXTHZOWIWDCIOV-ABAIWWIYSA-N -1 0 371.463 -0.385 20 0 FBADRM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001101395723 842492175 /nfs/dbraw/zinc/49/21/75/842492175.db2.gz KSRUXAKWNZKDPG-BZNIZROVSA-N -1 0 350.423 -0.295 20 0 FBADRM C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)CCCCC(N)=O)C2 ZINC001101421540 842495544 /nfs/dbraw/zinc/49/55/44/842495544.db2.gz KXABDHAVAAURTK-BZNIZROVSA-N -1 0 350.423 -0.164 20 0 FBADRM COCCCOCC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001101422866 842497280 /nfs/dbraw/zinc/49/72/80/842497280.db2.gz MVUCOXZOHNNCMW-WBMJQRKESA-N -1 0 353.423 -0.156 20 0 FBADRM CC(C)S(=O)(=O)CC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001101464652 842505416 /nfs/dbraw/zinc/50/54/16/842505416.db2.gz RQAKCUFLVGRHEZ-ABAIWWIYSA-N -1 0 371.463 -0.386 20 0 FBADRM CCCS(=O)(=O)CC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001101465698 842506147 /nfs/dbraw/zinc/50/61/47/842506147.db2.gz VNWGSZANVHFULB-ABAIWWIYSA-N -1 0 371.463 -0.385 20 0 FBADRM CCS(=O)(=O)CC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001101476397 842509515 /nfs/dbraw/zinc/50/95/15/842509515.db2.gz QSJNKDIHNWIUSJ-YGRLFVJLSA-N -1 0 357.436 -0.775 20 0 FBADRM CCOCCOCC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001101479539 842510566 /nfs/dbraw/zinc/51/05/66/842510566.db2.gz VILMGRGFVONRFP-WBMJQRKESA-N -1 0 353.423 -0.156 20 0 FBADRM C[C@H](CS(C)(=O)=O)C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001101479619 842510877 /nfs/dbraw/zinc/51/08/77/842510877.db2.gz YPDLWXNKQGATIF-HFAKWTLXSA-N -1 0 371.463 -0.529 20 0 FBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001101479620 842510499 /nfs/dbraw/zinc/51/04/99/842510499.db2.gz YPDLWXNKQGATIF-RWSFTLGLSA-N -1 0 371.463 -0.529 20 0 FBADRM COCCOCCC(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@]2(C)C1 ZINC001101484818 842511378 /nfs/dbraw/zinc/51/13/78/842511378.db2.gz IXLAVAQGAQZJLQ-WBMJQRKESA-N -1 0 353.423 -0.156 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)CC1CS(=O)(=O)C1 ZINC001102107328 842591011 /nfs/dbraw/zinc/59/10/11/842591011.db2.gz JZTGDEHQYNHBIY-MWLCHTKSSA-N -1 0 357.436 -0.871 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001102131472 842598231 /nfs/dbraw/zinc/59/82/31/842598231.db2.gz ALJNIXWYSNBSKR-GRYCIOLGSA-N -1 0 371.463 -0.481 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001102131473 842598122 /nfs/dbraw/zinc/59/81/22/842598122.db2.gz ALJNIXWYSNBSKR-IJLUTSLNSA-N -1 0 371.463 -0.481 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)C[C@H]1CCCS1(=O)=O ZINC001102194923 842605837 /nfs/dbraw/zinc/60/58/37/842605837.db2.gz NTRWUIQMSXYVIO-IJLUTSLNSA-N -1 0 371.463 -0.338 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001102194926 842605725 /nfs/dbraw/zinc/60/57/25/842605725.db2.gz NTRWUIQMSXYVIO-UTUOFQBUSA-N -1 0 371.463 -0.338 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)C(C)(C)S(C)(=O)=O ZINC001102421791 842627688 /nfs/dbraw/zinc/62/76/88/842627688.db2.gz IHTVZUVSMIOREY-NXEZZACHSA-N -1 0 359.452 -0.482 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@]1(C)CCCS1(=O)=O ZINC001102457816 842634375 /nfs/dbraw/zinc/63/43/75/842634375.db2.gz RHLRQWUUGFCFGQ-HFAKWTLXSA-N -1 0 371.463 -0.338 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001102457817 842633775 /nfs/dbraw/zinc/63/37/75/842633775.db2.gz RHLRQWUUGFCFGQ-UEKVPHQBSA-N -1 0 371.463 -0.338 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)CCCS(C)(=O)=O ZINC001102461195 842635521 /nfs/dbraw/zinc/63/55/21/842635521.db2.gz UOHVCWBTFBPEID-GHMZBOCLSA-N -1 0 359.452 -0.481 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)C1(S(C)(=O)=O)CCC1 ZINC001102490282 842645573 /nfs/dbraw/zinc/64/55/73/842645573.db2.gz ZEIZMMYRFKOEPO-GHMZBOCLSA-N -1 0 371.463 -0.338 20 0 FBADRM Cc1nonc1CN1C[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](C)C1 ZINC001102530637 842655151 /nfs/dbraw/zinc/65/51/51/842655151.db2.gz AGFGPJKSDPYFKB-PSASIEDQSA-N -1 0 351.367 -0.735 20 0 FBADRM Cc1cc(CN2C[C@@H](CNC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H](C)C2)no1 ZINC001102530860 842654801 /nfs/dbraw/zinc/65/48/01/842654801.db2.gz NJDODHBVAPYJDY-MWLCHTKSSA-N -1 0 350.379 -0.130 20 0 FBADRM Cc1nnc(CN2C[C@@H](CNC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H](C)C2)s1 ZINC001102530912 842655485 /nfs/dbraw/zinc/65/54/85/842655485.db2.gz QRZHRVPDTJJNEM-PSASIEDQSA-N -1 0 367.435 -0.266 20 0 FBADRM C[C@@H]1CN(Cc2csnn2)C[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001102530924 842654977 /nfs/dbraw/zinc/65/49/77/842654977.db2.gz RQENGYGPIFTGNQ-RKDXNWHRSA-N -1 0 353.408 -0.575 20 0 FBADRM Cc1cnc(CN2C[C@@H](CNC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H](C)C2)o1 ZINC001102530977 842656436 /nfs/dbraw/zinc/65/64/36/842656436.db2.gz UVSVOBAPMBCTPV-MWLCHTKSSA-N -1 0 350.379 -0.130 20 0 FBADRM C[C@@H]1CN(Cc2cnsn2)C[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001102530979 842656752 /nfs/dbraw/zinc/65/67/52/842656752.db2.gz UYJHVNMLZKSJJL-RKDXNWHRSA-N -1 0 353.408 -0.575 20 0 FBADRM Cc1noc(CN2C[C@@H](CNC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H](C)C2)n1 ZINC001102531052 842656450 /nfs/dbraw/zinc/65/64/50/842656450.db2.gz YLJNYAOBZAHGQS-PSASIEDQSA-N -1 0 351.367 -0.735 20 0 FBADRM Cc1nnc(CN2C[C@@H](CNC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H](C)C2)o1 ZINC001102531061 842656893 /nfs/dbraw/zinc/65/68/93/842656893.db2.gz ZJEKXIZWPBCPPN-PSASIEDQSA-N -1 0 351.367 -0.735 20 0 FBADRM C[C@@H]1CN(Cc2nncs2)C[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001102531108 842656928 /nfs/dbraw/zinc/65/69/28/842656928.db2.gz BICLQNWFPWPWNB-RKDXNWHRSA-N -1 0 353.408 -0.575 20 0 FBADRM C[C@@H](c1csnn1)N1C[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](C)C1 ZINC001102531321 842656275 /nfs/dbraw/zinc/65/62/75/842656275.db2.gz LTUGMYLGXJBJMW-KXUCPTDWSA-N -1 0 367.435 -0.014 20 0 FBADRM C[C@H](c1csnn1)N1C[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](C)C1 ZINC001102531322 842656417 /nfs/dbraw/zinc/65/64/17/842656417.db2.gz LTUGMYLGXJBJMW-OPRDCNLKSA-N -1 0 367.435 -0.014 20 0 FBADRM Cc1nnc(CN2C[C@@H](CNC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H](C)C2)[nH]1 ZINC001102531506 842656018 /nfs/dbraw/zinc/65/60/18/842656018.db2.gz SUBNCGDKYNLWAJ-PSASIEDQSA-N -1 0 350.383 -1.000 20 0 FBADRM Cc1nc(CN2C[C@@H](CNC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H](C)C2)co1 ZINC001102531586 842656936 /nfs/dbraw/zinc/65/69/36/842656936.db2.gz WLGCHTSYERYBIM-MWLCHTKSSA-N -1 0 350.379 -0.130 20 0 FBADRM C[C@@H]1CN(Cc2cnns2)C[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001102531618 842656828 /nfs/dbraw/zinc/65/68/28/842656828.db2.gz XQJMYZZSMVFOKI-RKDXNWHRSA-N -1 0 353.408 -0.575 20 0 FBADRM CC(=O)N(C)CCCC(=O)NC[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001102534660 842656539 /nfs/dbraw/zinc/65/65/39/842656539.db2.gz LDTSJRYXPSIYDM-DGCLKSJQSA-N -1 0 352.439 -0.047 20 0 FBADRM CCCS(=O)(=O)CC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001102583818 842668860 /nfs/dbraw/zinc/66/88/60/842668860.db2.gz DJBNKNQKAPMFMU-GHMZBOCLSA-N -1 0 359.452 -0.481 20 0 FBADRM CC(C)S(=O)(=O)CC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001102584343 842668545 /nfs/dbraw/zinc/66/85/45/842668545.db2.gz CSYUJAHEBHDBMS-GHMZBOCLSA-N -1 0 359.452 -0.482 20 0 FBADRM C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001102602930 842676701 /nfs/dbraw/zinc/67/67/01/842676701.db2.gz KCHNGRSARIDPCI-GMTAPVOTSA-N -1 0 359.452 -0.625 20 0 FBADRM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001102602931 842677034 /nfs/dbraw/zinc/67/70/34/842677034.db2.gz KCHNGRSARIDPCI-OUAUKWLOSA-N -1 0 359.452 -0.625 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CCNC(=O)C1CS(=O)(=O)C1 ZINC001103026407 842709401 /nfs/dbraw/zinc/70/94/01/842709401.db2.gz LUWYWZCUHJSYFJ-NXEZZACHSA-N -1 0 357.436 -0.871 20 0 FBADRM C[C@H](C(=O)NCC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C)S(C)(=O)=O ZINC001103149643 842715969 /nfs/dbraw/zinc/71/59/69/842715969.db2.gz GFXBLIJJPHAASS-GMTAPVOTSA-N -1 0 359.452 -0.482 20 0 FBADRM C[C@@H](C(=O)NCC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C)S(C)(=O)=O ZINC001103149644 842716083 /nfs/dbraw/zinc/71/60/83/842716083.db2.gz GFXBLIJJPHAASS-OUAUKWLOSA-N -1 0 359.452 -0.482 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CCNC(=O)CCS(C)(=O)=O ZINC001103150522 842717330 /nfs/dbraw/zinc/71/73/30/842717330.db2.gz UFLNRSLRZWDXQD-GHMZBOCLSA-N -1 0 359.452 -0.481 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CCNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001103203915 842723780 /nfs/dbraw/zinc/72/37/80/842723780.db2.gz AWMLDWZZCPTJNY-IJLUTSLNSA-N -1 0 371.463 -0.481 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CCNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001103203916 842723247 /nfs/dbraw/zinc/72/32/47/842723247.db2.gz AWMLDWZZCPTJNY-UTUOFQBUSA-N -1 0 371.463 -0.481 20 0 FBADRM C[C@@H]1CN(Cc2nncs2)C[C@H]1CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001103678401 842748222 /nfs/dbraw/zinc/74/82/22/842748222.db2.gz PJJADCBECDXELB-NXEZZACHSA-N -1 0 367.435 -0.185 20 0 FBADRM C[C@@H]1CN(Cc2csnn2)C[C@H]1CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001103679050 842748095 /nfs/dbraw/zinc/74/80/95/842748095.db2.gz AJVAIIPTMMCLQD-NXEZZACHSA-N -1 0 367.435 -0.185 20 0 FBADRM C[C@@H]1CN(Cc2cnon2)C[C@H]1CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001103679068 842747996 /nfs/dbraw/zinc/74/79/96/842747996.db2.gz BBKXFCUKQBNGSB-NXEZZACHSA-N -1 0 351.367 -0.653 20 0 FBADRM C[C@@H]1CN(Cc2cnsn2)C[C@H]1CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001103679400 842749491 /nfs/dbraw/zinc/74/94/91/842749491.db2.gz SOPJODRMOJDOSC-NXEZZACHSA-N -1 0 367.435 -0.185 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CCNC(=O)[C@H]1CCCS1(=O)=O ZINC001103740238 842754989 /nfs/dbraw/zinc/75/49/89/842754989.db2.gz AGWQMXWRZJEINX-IJLUTSLNSA-N -1 0 371.463 -0.338 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CCNC(=O)[C@@H]1CCCS1(=O)=O ZINC001103740239 842755069 /nfs/dbraw/zinc/75/50/69/842755069.db2.gz AGWQMXWRZJEINX-UTUOFQBUSA-N -1 0 371.463 -0.338 20 0 FBADRM CCS(=O)(=O)CC(=O)NCC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001103753669 842757908 /nfs/dbraw/zinc/75/79/08/842757908.db2.gz UJOMLTSCVBLZQR-GHMZBOCLSA-N -1 0 359.452 -0.481 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1CC[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001104309239 836003192 /nfs/dbraw/zinc/00/31/92/836003192.db2.gz QBFRHLJWZFWDOV-CZXHOFHRSA-N -1 0 353.423 -0.112 20 0 FBADRM C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1CC[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001104643282 836052242 /nfs/dbraw/zinc/05/22/42/836052242.db2.gz IZKQOQWCBZABRE-UVWXRNBGSA-N -1 0 350.423 -0.247 20 0 FBADRM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001104797706 836066099 /nfs/dbraw/zinc/06/60/99/836066099.db2.gz CWSWSVKBJKOKQE-ZYHUDNBSSA-N -1 0 352.439 -0.001 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CCNCc1cnsn1 ZINC001104954796 836072109 /nfs/dbraw/zinc/07/21/09/836072109.db2.gz SRFNENBDPTVCRI-NXEZZACHSA-N -1 0 367.435 -0.185 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CCNCc1csnn1 ZINC001104955284 836071787 /nfs/dbraw/zinc/07/17/87/836071787.db2.gz RDXKHHIIAAGHPM-NXEZZACHSA-N -1 0 367.435 -0.185 20 0 FBADRM CC(=O)N[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)[C@H](C)C1)C(C)C ZINC001106899700 837155714 /nfs/dbraw/zinc/15/57/14/837155714.db2.gz IVOIUWMKIXHVLJ-MPKXVKKWSA-N -1 0 352.439 -0.145 20 0 FBADRM CNC(=O)C1(C(=O)N2C[C@@H](C[NH2+]Cc3n[nH]c(=O)[n-]3)[C@H](C)C2)CCC1 ZINC001106909377 837169556 /nfs/dbraw/zinc/16/95/56/837169556.db2.gz HIJFDQIACODBLS-GHMZBOCLSA-N -1 0 350.423 -0.389 20 0 FBADRM CS(=O)(=O)CC(=O)NC[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001107311009 837234296 /nfs/dbraw/zinc/23/42/96/837234296.db2.gz WRZWIXLEUIRRJP-QMTHXVAHSA-N -1 0 357.436 -0.584 20 0 FBADRM CS(=O)(=O)CCC(=O)NC[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001107453844 837242740 /nfs/dbraw/zinc/24/27/40/837242740.db2.gz DACAUWHGUYZNGS-IAQYHMDHSA-N -1 0 371.463 -0.194 20 0 FBADRM C[C@@H](C(=O)NC[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2)S(C)(=O)=O ZINC001107454002 837243200 /nfs/dbraw/zinc/24/32/00/837243200.db2.gz MCACJKVWRMTEEP-FIXISWKDSA-N -1 0 371.463 -0.196 20 0 FBADRM C[C@H](C(=O)NC[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2)S(C)(=O)=O ZINC001107454003 837244314 /nfs/dbraw/zinc/24/43/14/837244314.db2.gz MCACJKVWRMTEEP-UEKVPHQBSA-N -1 0 371.463 -0.196 20 0 FBADRM CCS(=O)(=O)CC(=O)NC[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001107643228 837268912 /nfs/dbraw/zinc/26/89/12/837268912.db2.gz BRTGFWCDSJNWJH-IAQYHMDHSA-N -1 0 371.463 -0.194 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001108003054 837404576 /nfs/dbraw/zinc/40/45/76/837404576.db2.gz BCEVSAHSZLCYLQ-ITDIGPHOSA-N -1 0 355.395 -0.979 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@]1(C)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001108003055 837404643 /nfs/dbraw/zinc/40/46/43/837404643.db2.gz BCEVSAHSZLCYLQ-WBIUFABUSA-N -1 0 355.395 -0.979 20 0 FBADRM C[C@@]1(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001108231323 839224710 /nfs/dbraw/zinc/22/47/10/839224710.db2.gz REOQAHIMNAYJTK-LSSIXWDNSA-N -1 0 351.407 -0.215 20 0 FBADRM C[C@]1(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001108231324 839224227 /nfs/dbraw/zinc/22/42/27/839224227.db2.gz REOQAHIMNAYJTK-YMEQNVIZSA-N -1 0 351.407 -0.215 20 0 FBADRM CC(C)CCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001108455502 839262343 /nfs/dbraw/zinc/26/23/43/839262343.db2.gz LFLVHPCAUKOUMO-NWDGAFQWSA-N -1 0 371.463 -0.244 20 0 FBADRM CCCCCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001108456469 839263304 /nfs/dbraw/zinc/26/33/04/839263304.db2.gz GJFIPBREKZZIFG-NWDGAFQWSA-N -1 0 371.463 -0.100 20 0 FBADRM CCCCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001108457128 839264377 /nfs/dbraw/zinc/26/43/77/839264377.db2.gz WCWJAXBUTQKXJR-WDEREUQCSA-N -1 0 357.436 -0.490 20 0 FBADRM CC/C=C(\C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001108461049 839270925 /nfs/dbraw/zinc/27/09/25/839270925.db2.gz VOCXMHIGULZHNC-PEXLVHELSA-N -1 0 369.447 -0.324 20 0 FBADRM CC/C=C(/C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001108461050 839271112 /nfs/dbraw/zinc/27/11/12/839271112.db2.gz VOCXMHIGULZHNC-WJQOWHFOSA-N -1 0 369.447 -0.324 20 0 FBADRM CCC[C@@H](C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001108466492 839275316 /nfs/dbraw/zinc/27/53/16/839275316.db2.gz FMXJTQNUAABOID-GRYCIOLGSA-N -1 0 371.463 -0.244 20 0 FBADRM CCC[C@H](C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001108466493 839275335 /nfs/dbraw/zinc/27/53/35/839275335.db2.gz FMXJTQNUAABOID-SDDRHHMPSA-N -1 0 371.463 -0.244 20 0 FBADRM CC[C@@H](C)CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001108471743 839279346 /nfs/dbraw/zinc/27/93/46/839279346.db2.gz RWGGXEUUZAZBFQ-GRYCIOLGSA-N -1 0 371.463 -0.244 20 0 FBADRM CC[C@H](C)CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001108471744 839280003 /nfs/dbraw/zinc/28/00/03/839280003.db2.gz RWGGXEUUZAZBFQ-SDDRHHMPSA-N -1 0 371.463 -0.244 20 0 FBADRM CC/C(C)=C/C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001108472424 839280685 /nfs/dbraw/zinc/28/06/85/839280685.db2.gz VNWZDKXWHKBSHQ-RBWIOGKGSA-N -1 0 369.447 -0.324 20 0 FBADRM CC/C(C)=C\C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001108472425 839280860 /nfs/dbraw/zinc/28/08/60/839280860.db2.gz VNWZDKXWHKBSHQ-RPGNDLBOSA-N -1 0 369.447 -0.324 20 0 FBADRM O=C(CCCF)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001108480170 839293278 /nfs/dbraw/zinc/29/32/78/839293278.db2.gz YZMLTKZWYAYBNV-VHSXEESVSA-N -1 0 361.399 -0.930 20 0 FBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109314098 839375021 /nfs/dbraw/zinc/37/50/21/839375021.db2.gz DVUGYZCPMCPPBO-VLEAKVRGSA-N -1 0 372.451 -0.940 20 0 FBADRM CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109314099 839373908 /nfs/dbraw/zinc/37/39/08/839373908.db2.gz DVUGYZCPMCPPBO-ZNSHCXBVSA-N -1 0 372.451 -0.940 20 0 FBADRM CC(C)C(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109365583 839378726 /nfs/dbraw/zinc/37/87/26/839378726.db2.gz SCSWOFHZQZFXFD-WOPDTQHZSA-N -1 0 350.423 -0.154 20 0 FBADRM CC(C)CS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109457483 839399323 /nfs/dbraw/zinc/39/93/23/839399323.db2.gz UBGZDQGJZPXCDZ-WOPDTQHZSA-N -1 0 371.463 -0.197 20 0 FBADRM C[C@@H](C(N)=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C2 ZINC001109468888 839401465 /nfs/dbraw/zinc/40/14/65/839401465.db2.gz VBLWUGIPFRSKGH-VLEAKVRGSA-N -1 0 352.395 -0.935 20 0 FBADRM C[C@H](C(N)=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C2 ZINC001109468889 839401877 /nfs/dbraw/zinc/40/18/77/839401877.db2.gz VBLWUGIPFRSKGH-ZNSHCXBVSA-N -1 0 352.395 -0.935 20 0 FBADRM CC(C)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001109488036 839404166 /nfs/dbraw/zinc/40/41/66/839404166.db2.gz BYHWCKBFKSVWNY-UTLUCORTSA-N -1 0 350.379 -0.858 20 0 FBADRM CS(=O)(=O)CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001109488040 839404227 /nfs/dbraw/zinc/40/42/27/839404227.db2.gz CGYLTXVCJOWKKM-UTLUCORTSA-N -1 0 371.419 -0.947 20 0 FBADRM CCN(C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001109488150 839403890 /nfs/dbraw/zinc/40/38/90/839403890.db2.gz IUBUWAQZKXVJAD-UTLUCORTSA-N -1 0 350.379 -0.904 20 0 FBADRM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCOCC(F)F)c1n[nH]c(=O)[n-]c1=O ZINC001109488279 839404269 /nfs/dbraw/zinc/40/42/69/839404269.db2.gz OMLMMOFQWHKWHO-VGMNWLOBSA-N -1 0 359.333 -0.100 20 0 FBADRM CCCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001109488494 839403327 /nfs/dbraw/zinc/40/33/27/839403327.db2.gz ZDIOKQBNYKSGLN-UTLUCORTSA-N -1 0 350.379 -0.856 20 0 FBADRM NC(=O)NCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109497691 839406218 /nfs/dbraw/zinc/40/62/18/839406218.db2.gz JITAIWTXYXIUQH-VWYCJHECSA-N -1 0 351.411 -0.430 20 0 FBADRM CCC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)S(N)(=O)=O ZINC001109559756 839408788 /nfs/dbraw/zinc/40/87/88/839408788.db2.gz QBWVKLFTTFNMPM-RCWTZXSCSA-N -1 0 372.451 -0.811 20 0 FBADRM CCC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)S(N)(=O)=O ZINC001109559757 839408627 /nfs/dbraw/zinc/40/86/27/839408627.db2.gz QBWVKLFTTFNMPM-VPOLOUISSA-N -1 0 372.451 -0.811 20 0 FBADRM COC[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)CCOC1 ZINC001109568144 839409279 /nfs/dbraw/zinc/40/92/79/839409279.db2.gz JVGVDPRZYHILGZ-KZTGVZKYSA-N -1 0 351.407 -0.215 20 0 FBADRM COC[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)CCOC1 ZINC001109568145 839409003 /nfs/dbraw/zinc/40/90/03/839409003.db2.gz JVGVDPRZYHILGZ-YRORDHRNSA-N -1 0 351.407 -0.215 20 0 FBADRM O=C(COC1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109782163 839433253 /nfs/dbraw/zinc/43/32/53/839433253.db2.gz INDAEZZCYDKYCH-WXHSDQCUSA-N -1 0 351.407 -0.073 20 0 FBADRM O=C(COC[C@@H]1CCOC1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109785096 839433399 /nfs/dbraw/zinc/43/33/99/839433399.db2.gz YZPIKONASLUBOM-NDBYEHHHSA-N -1 0 351.407 -0.215 20 0 FBADRM O=C(COC[C@H]1CCOC1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109785097 839432948 /nfs/dbraw/zinc/43/29/48/839432948.db2.gz YZPIKONASLUBOM-RNJOBUHISA-N -1 0 351.407 -0.215 20 0 FBADRM CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)S(C)(=O)=O ZINC001109788204 839433460 /nfs/dbraw/zinc/43/34/60/839433460.db2.gz BPWJLHQYXUOQRX-UTLUCORTSA-N -1 0 357.436 -0.445 20 0 FBADRM CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109810796 839436574 /nfs/dbraw/zinc/43/65/74/839436574.db2.gz CLIFHWQLKKUBNK-UTLUCORTSA-N -1 0 372.451 -0.940 20 0 FBADRM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109829316 839440116 /nfs/dbraw/zinc/44/01/16/839440116.db2.gz KRAIUDDPSGLAGW-WOPDTQHZSA-N -1 0 350.423 -0.106 20 0 FBADRM CS(=O)(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109830061 839439934 /nfs/dbraw/zinc/43/99/34/839439934.db2.gz JXXYSRSFYWFYIA-VWYCJHECSA-N -1 0 357.436 -0.443 20 0 FBADRM O=C(CCN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109847843 839441112 /nfs/dbraw/zinc/44/11/12/839441112.db2.gz JTMAYGFAXLXBNN-AGIUHOORSA-N -1 0 350.423 -0.546 20 0 FBADRM O=C(NCC(F)(F)F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109896396 839444309 /nfs/dbraw/zinc/44/43/09/839444309.db2.gz RZZYMMKOVLHCIF-CSMHCCOUSA-N -1 0 362.312 -0.590 20 0 FBADRM CS(=O)(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)CCC1 ZINC001109911436 839448019 /nfs/dbraw/zinc/44/80/19/839448019.db2.gz URNNJPKBOQWGHE-VWYCJHECSA-N -1 0 369.447 -0.301 20 0 FBADRM CCS(=O)(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109913914 839449639 /nfs/dbraw/zinc/44/96/39/839449639.db2.gz YSRWGYAMDBIXFD-VWYCJHECSA-N -1 0 372.451 -0.987 20 0 FBADRM CC(C)(C)S(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109976122 839453015 /nfs/dbraw/zinc/45/30/15/839453015.db2.gz SGLKEJUWJPUFMA-VWYCJHECSA-N -1 0 371.463 -0.055 20 0 FBADRM CN(C)C(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001109993393 839454607 /nfs/dbraw/zinc/45/46/07/839454607.db2.gz DGQCPEWCUAXOLU-WOPDTQHZSA-N -1 0 350.423 -0.010 20 0 FBADRM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)C(C)C ZINC001110010310 839457136 /nfs/dbraw/zinc/45/71/36/839457136.db2.gz QAPILQNELHZROW-OWTLIXCDSA-N -1 0 350.423 -0.108 20 0 FBADRM CCC[C@@H](NC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110038878 839458341 /nfs/dbraw/zinc/45/83/41/839458341.db2.gz XQJHNTYCKXLEJO-ZNSHCXBVSA-N -1 0 351.411 -0.431 20 0 FBADRM CC(=O)N(C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110045141 839458403 /nfs/dbraw/zinc/45/84/03/839458403.db2.gz SQQLPZWDFYFLQO-AGIUHOORSA-N -1 0 350.423 -0.010 20 0 FBADRM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110093059 839486372 /nfs/dbraw/zinc/48/63/72/839486372.db2.gz HZMOCQLSFKVQOZ-VWYCJHECSA-N -1 0 350.423 -0.106 20 0 FBADRM CC[C@H](C)C(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110112648 839842428 /nfs/dbraw/zinc/84/24/28/839842428.db2.gz JYHFIELBYZVPER-USZNOCQGSA-N -1 0 350.423 -0.106 20 0 FBADRM CC[C@@H](C)C(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110112649 839842819 /nfs/dbraw/zinc/84/28/19/839842819.db2.gz JYHFIELBYZVPER-WYUUTHIRSA-N -1 0 350.423 -0.106 20 0 FBADRM CCCS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110114006 839878738 /nfs/dbraw/zinc/87/87/38/839878738.db2.gz VPRLBJCUFQBTIH-VWYCJHECSA-N -1 0 357.436 -0.443 20 0 FBADRM CC(C)S(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110115287 839895380 /nfs/dbraw/zinc/89/53/80/839895380.db2.gz RJKRLPGAWORALE-VWYCJHECSA-N -1 0 357.436 -0.445 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(N)=O ZINC001110140713 840078005 /nfs/dbraw/zinc/07/80/05/840078005.db2.gz KYLGNKZBQDXEQK-VGMNWLOBSA-N -1 0 350.341 -0.350 20 0 FBADRM CNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C2 ZINC001110140717 840078485 /nfs/dbraw/zinc/07/84/85/840078485.db2.gz LIWHMAPZNFTNIS-UTLUCORTSA-N -1 0 364.368 -0.089 20 0 FBADRM CN(C)S(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110140724 840079273 /nfs/dbraw/zinc/07/92/73/840079273.db2.gz LSCOMCJXFPZBGQ-VWYCJHECSA-N -1 0 372.451 -0.987 20 0 FBADRM CNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110151093 840112520 /nfs/dbraw/zinc/11/25/20/840112520.db2.gz PGHUGIJSMHVFHB-UTLUCORTSA-N -1 0 351.411 -0.561 20 0 FBADRM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110164873 840263197 /nfs/dbraw/zinc/26/31/97/840263197.db2.gz ZDOUVQBCBKOHQM-VLEAKVRGSA-N -1 0 357.436 -0.588 20 0 FBADRM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110164874 840262789 /nfs/dbraw/zinc/26/27/89/840262789.db2.gz ZDOUVQBCBKOHQM-ZNSHCXBVSA-N -1 0 357.436 -0.588 20 0 FBADRM CCCCS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110165631 840265921 /nfs/dbraw/zinc/26/59/21/840265921.db2.gz TXLDMSYBCRBUMV-WOPDTQHZSA-N -1 0 371.463 -0.053 20 0 FBADRM CC(C)(CS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110180891 840279980 /nfs/dbraw/zinc/27/99/80/840279980.db2.gz HIRJUJXERDOHNE-VWYCJHECSA-N -1 0 371.463 -0.197 20 0 FBADRM O=C(COC[C@H]1CCCO1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110203978 840315085 /nfs/dbraw/zinc/31/50/85/840315085.db2.gz XNRLPAFTAZVOIX-NDBYEHHHSA-N -1 0 351.407 -0.073 20 0 FBADRM O=C(COC[C@@H]1CCCO1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110203979 840314793 /nfs/dbraw/zinc/31/47/93/840314793.db2.gz XNRLPAFTAZVOIX-VOAKCMCISA-N -1 0 351.407 -0.073 20 0 FBADRM CC(C)C[C@@H](C(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110210975 840320025 /nfs/dbraw/zinc/32/00/25/840320025.db2.gz AAJHMUUKLCTFCU-RHYQMDGZSA-N -1 0 350.423 -0.121 20 0 FBADRM CC(C)C[C@H](C(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110210976 840319623 /nfs/dbraw/zinc/31/96/23/840319623.db2.gz AAJHMUUKLCTFCU-WYUUTHIRSA-N -1 0 350.423 -0.121 20 0 FBADRM CNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc(C)c1[O-])C2 ZINC001110444815 840904047 /nfs/dbraw/zinc/90/40/47/840904047.db2.gz GXZBBYDXNPTFNH-BBBLOLIVSA-N -1 0 350.379 -0.786 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCN(C)S(C)(=O)=O)c1[O-] ZINC001110445573 840903128 /nfs/dbraw/zinc/90/31/28/840903128.db2.gz XYRZUKXWDSCSFH-UTUOFQBUSA-N -1 0 371.463 -0.350 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)C(=O)NC(N)=O)c1[O-] ZINC001110447567 840934826 /nfs/dbraw/zinc/93/48/26/840934826.db2.gz JKZCMJAKFHWROQ-JLIMGVALSA-N -1 0 350.379 -0.658 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H](C)C(=O)NC(N)=O)c1[O-] ZINC001110447568 840934489 /nfs/dbraw/zinc/93/44/89/840934489.db2.gz JKZCMJAKFHWROQ-KYXWUPHJSA-N -1 0 350.379 -0.658 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCNS(C)(=O)=O)c1[O-] ZINC001110447649 840929462 /nfs/dbraw/zinc/92/94/62/840929462.db2.gz NVLXZXHXXRKYBV-MXWKQRLJSA-N -1 0 357.436 -0.692 20 0 FBADRM CCS(=O)(=O)NCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc(C)c1[O-])C2 ZINC001110447829 840931671 /nfs/dbraw/zinc/93/16/71/840931671.db2.gz WRMSMXNMIAFAFF-UTUOFQBUSA-N -1 0 371.463 -0.302 20 0 FBADRM CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110583604 841729658 /nfs/dbraw/zinc/72/96/58/841729658.db2.gz DVUGYZCPMCPPBO-DBIOUOCHSA-N -1 0 372.451 -0.940 20 0 FBADRM CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110583605 841729820 /nfs/dbraw/zinc/72/98/20/841729820.db2.gz DVUGYZCPMCPPBO-ZDCRXTMVSA-N -1 0 372.451 -0.940 20 0 FBADRM CC(C)C(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110620765 841738425 /nfs/dbraw/zinc/73/84/25/841738425.db2.gz SCSWOFHZQZFXFD-UTUOFQBUSA-N -1 0 350.423 -0.154 20 0 FBADRM CC(C)CS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110729949 841757642 /nfs/dbraw/zinc/75/76/42/841757642.db2.gz UBGZDQGJZPXCDZ-UTUOFQBUSA-N -1 0 371.463 -0.197 20 0 FBADRM C[C@H](C(N)=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C2 ZINC001110746578 841759260 /nfs/dbraw/zinc/75/92/60/841759260.db2.gz VBLWUGIPFRSKGH-DBIOUOCHSA-N -1 0 352.395 -0.935 20 0 FBADRM C[C@@H](C(N)=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C2 ZINC001110746579 841759140 /nfs/dbraw/zinc/75/91/40/841759140.db2.gz VBLWUGIPFRSKGH-ZDCRXTMVSA-N -1 0 352.395 -0.935 20 0 FBADRM NC(=O)NCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110781262 841762909 /nfs/dbraw/zinc/76/29/09/841762909.db2.gz JITAIWTXYXIUQH-MXWKQRLJSA-N -1 0 351.411 -0.430 20 0 FBADRM CCC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)S(N)(=O)=O ZINC001110856749 841817983 /nfs/dbraw/zinc/81/79/83/841817983.db2.gz QBWVKLFTTFNMPM-CHWFTXMASA-N -1 0 372.451 -0.811 20 0 FBADRM CCC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)S(N)(=O)=O ZINC001110856750 841817827 /nfs/dbraw/zinc/81/78/27/841817827.db2.gz QBWVKLFTTFNMPM-ZNSHCXBVSA-N -1 0 372.451 -0.811 20 0 FBADRM COC[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)CCOC1 ZINC001110864659 841823396 /nfs/dbraw/zinc/82/33/96/841823396.db2.gz JVGVDPRZYHILGZ-LSSIXWDNSA-N -1 0 351.407 -0.215 20 0 FBADRM COC[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)CCOC1 ZINC001110864660 841822365 /nfs/dbraw/zinc/82/23/65/841822365.db2.gz JVGVDPRZYHILGZ-YMEQNVIZSA-N -1 0 351.407 -0.215 20 0 FBADRM O=C(COC1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111086049 842039543 /nfs/dbraw/zinc/03/95/43/842039543.db2.gz INDAEZZCYDKYCH-RTXFEEFZSA-N -1 0 351.407 -0.073 20 0 FBADRM O=C(COC[C@H]1CCOC1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111088311 842039471 /nfs/dbraw/zinc/03/94/71/842039471.db2.gz YZPIKONASLUBOM-LOWDOPEQSA-N -1 0 351.407 -0.215 20 0 FBADRM O=C(COC[C@@H]1CCOC1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111088312 842039679 /nfs/dbraw/zinc/03/96/79/842039679.db2.gz YZPIKONASLUBOM-LPWJVIDDSA-N -1 0 351.407 -0.215 20 0 FBADRM CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)S(C)(=O)=O ZINC001111088940 842039883 /nfs/dbraw/zinc/03/98/83/842039883.db2.gz BPWJLHQYXUOQRX-BBBLOLIVSA-N -1 0 357.436 -0.445 20 0 FBADRM CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111115689 842043101 /nfs/dbraw/zinc/04/31/01/842043101.db2.gz CLIFHWQLKKUBNK-BBBLOLIVSA-N -1 0 372.451 -0.940 20 0 FBADRM CC(=O)NCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111130832 842044634 /nfs/dbraw/zinc/04/46/34/842044634.db2.gz KRAIUDDPSGLAGW-UTUOFQBUSA-N -1 0 350.423 -0.106 20 0 FBADRM CS(=O)(=O)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111133482 842045769 /nfs/dbraw/zinc/04/57/69/842045769.db2.gz JXXYSRSFYWFYIA-MXWKQRLJSA-N -1 0 357.436 -0.443 20 0 FBADRM O=C(CCN1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111151790 842050194 /nfs/dbraw/zinc/05/01/94/842050194.db2.gz JTMAYGFAXLXBNN-UPJWGTAASA-N -1 0 350.423 -0.546 20 0 FBADRM O=C(NCC(F)(F)F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111194018 842054060 /nfs/dbraw/zinc/05/40/60/842054060.db2.gz RZZYMMKOVLHCIF-PRJMDXOYSA-N -1 0 362.312 -0.590 20 0 FBADRM CS(=O)(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)CCC1 ZINC001111206916 842057536 /nfs/dbraw/zinc/05/75/36/842057536.db2.gz URNNJPKBOQWGHE-MXWKQRLJSA-N -1 0 369.447 -0.301 20 0 FBADRM CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111210253 842057769 /nfs/dbraw/zinc/05/77/69/842057769.db2.gz YSRWGYAMDBIXFD-MXWKQRLJSA-N -1 0 372.451 -0.987 20 0 FBADRM CC(C)(C)S(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111276372 842066972 /nfs/dbraw/zinc/06/69/72/842066972.db2.gz SGLKEJUWJPUFMA-MXWKQRLJSA-N -1 0 371.463 -0.055 20 0 FBADRM CN(C)C(=O)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111289510 842068179 /nfs/dbraw/zinc/06/81/79/842068179.db2.gz DGQCPEWCUAXOLU-UTUOFQBUSA-N -1 0 350.423 -0.010 20 0 FBADRM CC(=O)N[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)C(C)C ZINC001111302214 842069179 /nfs/dbraw/zinc/06/91/79/842069179.db2.gz QAPILQNELHZROW-NRWUCQMLSA-N -1 0 350.423 -0.108 20 0 FBADRM CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111324413 842071071 /nfs/dbraw/zinc/07/10/71/842071071.db2.gz XQJHNTYCKXLEJO-DBIOUOCHSA-N -1 0 351.411 -0.431 20 0 FBADRM CC(=O)N(C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111330764 842070604 /nfs/dbraw/zinc/07/06/04/842070604.db2.gz SQQLPZWDFYFLQO-UPJWGTAASA-N -1 0 350.423 -0.010 20 0 FBADRM CC(C)(C)C(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111396161 842079573 /nfs/dbraw/zinc/07/95/73/842079573.db2.gz HZMOCQLSFKVQOZ-MXWKQRLJSA-N -1 0 350.423 -0.106 20 0 FBADRM CC[C@@H](C)C(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111416164 842087523 /nfs/dbraw/zinc/08/75/23/842087523.db2.gz JYHFIELBYZVPER-KKOKHZNYSA-N -1 0 350.423 -0.106 20 0 FBADRM CC[C@H](C)C(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111416165 842087740 /nfs/dbraw/zinc/08/77/40/842087740.db2.gz JYHFIELBYZVPER-QCNOEVLYSA-N -1 0 350.423 -0.106 20 0 FBADRM CCCS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111419025 842088488 /nfs/dbraw/zinc/08/84/88/842088488.db2.gz VPRLBJCUFQBTIH-MXWKQRLJSA-N -1 0 357.436 -0.443 20 0 FBADRM CC(C)S(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111419838 842090205 /nfs/dbraw/zinc/09/02/05/842090205.db2.gz RJKRLPGAWORALE-MXWKQRLJSA-N -1 0 357.436 -0.445 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(N)=O ZINC001111447320 842148048 /nfs/dbraw/zinc/14/80/48/842148048.db2.gz KYLGNKZBQDXEQK-HLTSFMKQSA-N -1 0 350.341 -0.350 20 0 FBADRM CNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C2 ZINC001111447327 842147065 /nfs/dbraw/zinc/14/70/65/842147065.db2.gz LIWHMAPZNFTNIS-BBBLOLIVSA-N -1 0 364.368 -0.089 20 0 FBADRM CN(C)S(=O)(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111447336 842148058 /nfs/dbraw/zinc/14/80/58/842148058.db2.gz LSCOMCJXFPZBGQ-MXWKQRLJSA-N -1 0 372.451 -0.987 20 0 FBADRM CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111456675 842157833 /nfs/dbraw/zinc/15/78/33/842157833.db2.gz PGHUGIJSMHVFHB-BBBLOLIVSA-N -1 0 351.411 -0.561 20 0 FBADRM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111471473 842430642 /nfs/dbraw/zinc/43/06/42/842430642.db2.gz ZDOUVQBCBKOHQM-DBIOUOCHSA-N -1 0 357.436 -0.588 20 0 FBADRM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111471474 842430538 /nfs/dbraw/zinc/43/05/38/842430538.db2.gz ZDOUVQBCBKOHQM-ZDCRXTMVSA-N -1 0 357.436 -0.588 20 0 FBADRM CCCCS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111473953 842435914 /nfs/dbraw/zinc/43/59/14/842435914.db2.gz TXLDMSYBCRBUMV-UTUOFQBUSA-N -1 0 371.463 -0.053 20 0 FBADRM CC(C)(CS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111487292 842060736 /nfs/dbraw/zinc/06/07/36/842060736.db2.gz HIRJUJXERDOHNE-MXWKQRLJSA-N -1 0 371.463 -0.197 20 0 FBADRM O=C(COC[C@H]1CCCO1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111515428 836020818 /nfs/dbraw/zinc/02/08/18/836020818.db2.gz XNRLPAFTAZVOIX-LPWJVIDDSA-N -1 0 351.407 -0.073 20 0 FBADRM O=C(COC[C@@H]1CCCO1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111515429 836020776 /nfs/dbraw/zinc/02/07/76/836020776.db2.gz XNRLPAFTAZVOIX-XQHKEYJVSA-N -1 0 351.407 -0.073 20 0 FBADRM CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111520788 836081472 /nfs/dbraw/zinc/08/14/72/836081472.db2.gz AAJHMUUKLCTFCU-KKOKHZNYSA-N -1 0 350.423 -0.121 20 0 FBADRM CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001111520789 836081700 /nfs/dbraw/zinc/08/17/00/836081700.db2.gz AAJHMUUKLCTFCU-KXNHARMFSA-N -1 0 350.423 -0.121 20 0 FBADRM CCCC(=O)NCC(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001111631857 842782710 /nfs/dbraw/zinc/78/27/10/842782710.db2.gz BPWAXDRNBWREOG-ZBEGNZNMSA-N -1 0 350.423 -0.103 20 0 FBADRM CCNC(=O)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001111653911 842783110 /nfs/dbraw/zinc/78/31/10/842783110.db2.gz ANGMZVMSAHIXQL-ZBEGNZNMSA-N -1 0 350.423 -0.103 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@]23CCC[C@H]2CN(CC(=O)NC(N)=O)C3)c1[O-] ZINC001111699514 842784379 /nfs/dbraw/zinc/78/43/79/842784379.db2.gz RVLLGOQUKRIHOH-VFZGTOFNSA-N -1 0 350.379 -0.797 20 0 FBADRM CNC(=O)CCCC(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001111714518 842786720 /nfs/dbraw/zinc/78/67/20/842786720.db2.gz CXKGSNXAZJCIGC-ZBEGNZNMSA-N -1 0 350.423 -0.103 20 0 FBADRM CNC(=O)NCCC(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001111734608 842789059 /nfs/dbraw/zinc/78/90/59/842789059.db2.gz JYYWEUYJRGWABI-BONVTDFDSA-N -1 0 351.411 -0.700 20 0 FBADRM O=C(CO[C@H]1CCOC1)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001111746513 842791072 /nfs/dbraw/zinc/79/10/72/842791072.db2.gz ZAIRIWGHDDPYLW-MKBNYLNASA-N -1 0 351.407 -0.214 20 0 FBADRM O=C(CO[C@@H]1CCOC1)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001111746514 842791270 /nfs/dbraw/zinc/79/12/70/842791270.db2.gz ZAIRIWGHDDPYLW-OZVIIMIRSA-N -1 0 351.407 -0.214 20 0 FBADRM C[C@H](CC(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2)NC(N)=O ZINC001111748578 842790368 /nfs/dbraw/zinc/79/03/68/842790368.db2.gz DYZAJMNHQIYMHV-FTGAXOIBSA-N -1 0 351.411 -0.572 20 0 FBADRM C[C@@H](CC(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2)NC(N)=O ZINC001111748579 842790285 /nfs/dbraw/zinc/79/02/85/842790285.db2.gz DYZAJMNHQIYMHV-YHAQOWFVSA-N -1 0 351.411 -0.572 20 0 FBADRM CCC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001111757874 842791944 /nfs/dbraw/zinc/79/19/44/842791944.db2.gz SAXMCUQNHRSONF-GDLVEWKHSA-N -1 0 350.423 -0.104 20 0 FBADRM CCC(=O)N[C@@H](C)C(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001111757875 842792395 /nfs/dbraw/zinc/79/23/95/842792395.db2.gz SAXMCUQNHRSONF-MMPTUQATSA-N -1 0 350.423 -0.104 20 0 FBADRM C[C@H](C(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2)S(C)(=O)=O ZINC001111791016 842797165 /nfs/dbraw/zinc/79/71/65/842797165.db2.gz CJYYBYQWIIPTJQ-BFVZDQMLSA-N -1 0 357.436 -0.586 20 0 FBADRM C[C@@H](C(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2)S(C)(=O)=O ZINC001111791017 842797236 /nfs/dbraw/zinc/79/72/36/842797236.db2.gz CJYYBYQWIIPTJQ-BHDSKKPTSA-N -1 0 357.436 -0.586 20 0 FBADRM CS(=O)(=O)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001111792526 842797988 /nfs/dbraw/zinc/79/79/88/842797988.db2.gz CCZWYNWIQSJTLI-HZMBPMFUSA-N -1 0 357.436 -0.584 20 0 FBADRM O=C(NCC(F)F)C(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001111795720 842798014 /nfs/dbraw/zinc/79/80/14/842798014.db2.gz BNJNAORFELEWOP-RTHLEPHNSA-N -1 0 358.349 -0.638 20 0 FBADRM CC[C@H](NC(C)=O)C(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001111879872 842808697 /nfs/dbraw/zinc/80/86/97/842808697.db2.gz BGTBQULALIXJIT-MKBNYLNASA-N -1 0 350.423 -0.104 20 0 FBADRM CC[C@@H](NC(C)=O)C(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001111879873 842808259 /nfs/dbraw/zinc/80/82/59/842808259.db2.gz BGTBQULALIXJIT-OZVIIMIRSA-N -1 0 350.423 -0.104 20 0 FBADRM CS(=O)(=O)CCCC(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001111901632 842811515 /nfs/dbraw/zinc/81/15/15/842811515.db2.gz SEQJLUPARJJAPZ-NHYWBVRUSA-N -1 0 371.463 -0.194 20 0 FBADRM CCCS(=O)(=O)CC(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001111990338 842821165 /nfs/dbraw/zinc/82/11/65/842821165.db2.gz XMHIFBQAECXBKW-NHYWBVRUSA-N -1 0 371.463 -0.194 20 0 FBADRM CCS(=O)(=O)CC(=O)N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001112006045 836050907 /nfs/dbraw/zinc/05/09/07/836050907.db2.gz DYVXZAVHIBMOEE-HZMBPMFUSA-N -1 0 357.436 -0.584 20 0 FBADRM CC(=O)NCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001112038505 842825806 /nfs/dbraw/zinc/82/58/06/842825806.db2.gz DCSFADCJEDDKBT-HTQZYQBOSA-N -1 0 350.301 -0.875 20 0 FBADRM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001112041859 836061812 /nfs/dbraw/zinc/06/18/12/836061812.db2.gz ZTCKJQFYRNLBQX-NBEYISGCSA-N -1 0 364.328 -0.486 20 0 FBADRM CC(=O)N(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001112052090 842827156 /nfs/dbraw/zinc/82/71/56/842827156.db2.gz YRUJVNRONJCOBU-RKDXNWHRSA-N -1 0 364.328 -0.533 20 0 FBADRM COC(=O)NCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001112057563 842829236 /nfs/dbraw/zinc/82/92/36/842829236.db2.gz ATJBVRVQQGXCRG-RNFRBKRXSA-N -1 0 366.300 -0.655 20 0 FBADRM CCC(=O)NCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001112072182 842832567 /nfs/dbraw/zinc/83/25/67/842832567.db2.gz MZSNNEJNCZUCPR-HTQZYQBOSA-N -1 0 364.328 -0.485 20 0 FBADRM COCCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001112074514 842833586 /nfs/dbraw/zinc/83/35/86/842833586.db2.gz KRXVMKXQLODBCZ-RKDXNWHRSA-N -1 0 367.328 -0.348 20 0 FBADRM CNC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001112087371 836082630 /nfs/dbraw/zinc/08/26/30/836082630.db2.gz AWIXZNURMYJJQL-RNFRBKRXSA-N -1 0 350.301 -0.875 20 0 FBADRM CCNC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001112088456 842836426 /nfs/dbraw/zinc/83/64/26/842836426.db2.gz HLELPKTZSKBKCP-HTQZYQBOSA-N -1 0 364.328 -0.485 20 0 FBADRM C[C@H](NC(N)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001112089356 842838470 /nfs/dbraw/zinc/83/84/70/842838470.db2.gz AYBSGWMWDJCSOV-RRKCRQDMSA-N -1 0 365.316 -0.954 20 0 FBADRM C[C@H](CC(N)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001112144826 842850687 /nfs/dbraw/zinc/85/06/87/842850687.db2.gz GYRLMLVBMFYHFC-BWZBUEFSSA-N -1 0 364.328 -0.499 20 0 FBADRM C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001112144828 842850857 /nfs/dbraw/zinc/85/08/57/842850857.db2.gz GYRLMLVBMFYHFC-XLPZGREQSA-N -1 0 364.328 -0.499 20 0 FBADRM COC[C@H](OC)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001112162710 842853334 /nfs/dbraw/zinc/85/33/34/842853334.db2.gz ZCVOTRFYDDNCPG-HLTSFMKQSA-N -1 0 367.328 -0.349 20 0 FBADRM COC[C@@H](OC)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001112162711 842853472 /nfs/dbraw/zinc/85/34/72/842853472.db2.gz ZCVOTRFYDDNCPG-IWSPIJDZSA-N -1 0 367.328 -0.349 20 0 FBADRM CN(C)C(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001112176875 842854444 /nfs/dbraw/zinc/85/44/44/842854444.db2.gz DDYORJLWNXUSNM-HTQZYQBOSA-N -1 0 364.328 -0.533 20 0 FBADRM NC(=O)NCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001112204649 836419823 /nfs/dbraw/zinc/41/98/23/836419823.db2.gz CPHHWJSGXWHMJH-RNFRBKRXSA-N -1 0 365.316 -0.952 20 0 FBADRM NC(=O)CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001112218602 842865756 /nfs/dbraw/zinc/86/57/56/842865756.db2.gz KSQOMDWLSVJBSP-HTQZYQBOSA-N -1 0 364.328 -0.355 20 0 FBADRM O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)[N-]S(=O)(=O)C(F)F ZINC001115852629 842881295 /nfs/dbraw/zinc/88/12/95/842881295.db2.gz CFHRLXATTCFUBN-UHFFFAOYSA-N -1 0 373.337 -0.273 20 0 FBADRM CCCCS(=O)(=O)[N-]C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC001115856464 842881048 /nfs/dbraw/zinc/88/10/48/842881048.db2.gz COUDALGBQFKTNH-UHFFFAOYSA-N -1 0 367.435 -0.018 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)CCn1cccn1 ZINC001115857161 842881109 /nfs/dbraw/zinc/88/11/09/842881109.db2.gz QCAKALCSDZCQQS-UHFFFAOYSA-N -1 0 351.388 -0.125 20 0 FBADRM Cn1ncc2c1nc(CCC(=O)[N-]S(=O)(=O)c1cccnc1)[nH]c2=O ZINC001115857570 842881273 /nfs/dbraw/zinc/88/12/73/842881273.db2.gz ZVSXJCKIXLJJSG-UHFFFAOYSA-N -1 0 362.371 -0.098 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)s1 ZINC001115879021 842883217 /nfs/dbraw/zinc/88/32/17/842883217.db2.gz WBMGUUVSSUBOPE-UHFFFAOYSA-N -1 0 371.444 -0.091 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2ccnc(OC)c2)CC1 ZINC001115884293 842883327 /nfs/dbraw/zinc/88/33/27/842883327.db2.gz OJRWQIBJXLPUJF-UHFFFAOYSA-N -1 0 357.388 -0.050 20 0 FBADRM CC(C)S(=O)(=O)[N-]C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC001115907161 842884895 /nfs/dbraw/zinc/88/48/95/842884895.db2.gz OSFIOWYNXCZXFO-UHFFFAOYSA-N -1 0 353.408 -0.410 20 0 FBADRM CC1(C)NC(=O)N(CCCC(=O)[N-]S(=O)(=O)C2CCOCC2)C1=O ZINC001115916256 842885995 /nfs/dbraw/zinc/88/59/95/842885995.db2.gz CAOMMBXBLLMVGB-UHFFFAOYSA-N -1 0 361.420 -0.278 20 0 FBADRM O=C(CCn1nnc2ccccc2c1=O)[N-]S(=O)(=O)C1CCOCC1 ZINC001115916473 842886178 /nfs/dbraw/zinc/88/61/78/842886178.db2.gz OPNUBUCBPAHSFC-UHFFFAOYSA-N -1 0 366.399 -0.193 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)Cc2nc3ncccn3n2)c1Cl ZINC001115916534 842885482 /nfs/dbraw/zinc/88/54/82/842885482.db2.gz SDZOULIWSGNJQN-UHFFFAOYSA-N -1 0 355.767 -0.441 20 0 FBADRM CNC(=O)CNC(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C)c1 ZINC001115934455 842886966 /nfs/dbraw/zinc/88/69/66/842886966.db2.gz YXVUNANINMHFHX-UHFFFAOYSA-N -1 0 357.417 -0.242 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC001115936180 842886738 /nfs/dbraw/zinc/88/67/38/842886738.db2.gz ZXHRHVPLLJTFET-CYBMUJFWSA-N -1 0 367.431 -0.191 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC001115936182 842886585 /nfs/dbraw/zinc/88/65/85/842886585.db2.gz ZXHRHVPLLJTFET-ZDUSSCGKSA-N -1 0 367.431 -0.191 20 0 FBADRM COCCn1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)n1 ZINC001115940195 842886890 /nfs/dbraw/zinc/88/68/90/842886890.db2.gz YVSJSIWZXDPSSW-UHFFFAOYSA-N -1 0 365.371 -0.140 20 0 FBADRM COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC001115989311 842890192 /nfs/dbraw/zinc/89/01/92/842890192.db2.gz XSRXSPPELUPCRI-UHFFFAOYSA-N -1 0 363.417 -0.412 20 0 FBADRM CCn1c(=O)c2ccc(C(=O)NCCNS(C)(=O)=O)cc2[n-]c1=S ZINC001116003045 842891426 /nfs/dbraw/zinc/89/14/26/842891426.db2.gz MNBIIEXJVBMDDW-UHFFFAOYSA-N -1 0 370.456 -0.016 20 0 FBADRM CCCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H]1CCS(=O)(=O)C1 ZINC001116015819 842893249 /nfs/dbraw/zinc/89/32/49/842893249.db2.gz NRIIGAVZWINNQH-JTQLQIEISA-N -1 0 353.404 -0.503 20 0 FBADRM CCCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H]1CCS(=O)(=O)C1 ZINC001116015822 842893404 /nfs/dbraw/zinc/89/34/04/842893404.db2.gz NRIIGAVZWINNQH-SNVBAGLBSA-N -1 0 353.404 -0.503 20 0 FBADRM O=C(Cc1csc(N2CCCC2=O)n1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001116028170 842894521 /nfs/dbraw/zinc/89/45/21/842894521.db2.gz INDFHXSGWCIZQW-JTQLQIEISA-N -1 0 363.403 -0.074 20 0 FBADRM O=C(Cc1csc(N2CCCC2=O)n1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001116028171 842894222 /nfs/dbraw/zinc/89/42/22/842894222.db2.gz INDFHXSGWCIZQW-SNVBAGLBSA-N -1 0 363.403 -0.074 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC001116041115 842895693 /nfs/dbraw/zinc/89/56/93/842895693.db2.gz DUHAFTJSUVHQGR-UHFFFAOYSA-N -1 0 352.438 -0.419 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC001116045824 842895453 /nfs/dbraw/zinc/89/54/53/842895453.db2.gz GPAXZGWLQWDWGO-UHFFFAOYSA-N -1 0 364.449 -0.595 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 ZINC001116047819 842895635 /nfs/dbraw/zinc/89/56/35/842895635.db2.gz WYHMZDNDOPQSPP-LLVKDONJSA-N -1 0 355.482 -0.249 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 ZINC001116047822 842895578 /nfs/dbraw/zinc/89/55/78/842895578.db2.gz WYHMZDNDOPQSPP-NSHDSACASA-N -1 0 355.482 -0.249 20 0 FBADRM C[C@H](CS(C)(=O)=O)N(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1 ZINC001116058582 842897477 /nfs/dbraw/zinc/89/74/77/842897477.db2.gz MMIPPFACSTWVFV-SECBINFHSA-N -1 0 353.404 -0.505 20 0 FBADRM C[C@@H](CS(C)(=O)=O)N(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1 ZINC001116058583 842897362 /nfs/dbraw/zinc/89/73/62/842897362.db2.gz MMIPPFACSTWVFV-VIFPVBQESA-N -1 0 353.404 -0.505 20 0 FBADRM CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC001116079034 842899245 /nfs/dbraw/zinc/89/92/45/842899245.db2.gz AQJGWBAIAXLBQF-UHFFFAOYSA-N -1 0 374.440 -0.398 20 0 FBADRM O=C([N-]S(=O)(=O)c1cccnc1)C1CCC2(CC1)NC(=O)NC2=O ZINC001116096871 842901601 /nfs/dbraw/zinc/90/16/01/842901601.db2.gz KRHSNAGACLDHDA-UHFFFAOYSA-N -1 0 352.372 -0.345 20 0 FBADRM CN(C)C(=O)c1cc(NC(=O)C(=O)NCc2nnn[n-]2)ccc1Cl ZINC001116107513 842902453 /nfs/dbraw/zinc/90/24/53/842902453.db2.gz MUPYGXZFFDZMPV-UHFFFAOYSA-N -1 0 351.754 -0.190 20 0 FBADRM CCCS(=O)(=O)[N-]C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001116107994 842903468 /nfs/dbraw/zinc/90/34/68/842903468.db2.gz WVHTXPCQLOBCJN-SECBINFHSA-N -1 0 365.433 -0.992 20 0 FBADRM CCCS(=O)(=O)[N-]C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001116107995 842903425 /nfs/dbraw/zinc/90/34/25/842903425.db2.gz WVHTXPCQLOBCJN-VIFPVBQESA-N -1 0 365.433 -0.992 20 0 FBADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccnc(C(=O)N(C)C)c1 ZINC001116108454 842903242 /nfs/dbraw/zinc/90/32/42/842903242.db2.gz LKMNJVOPVFXEAG-UHFFFAOYSA-N -1 0 367.387 -0.176 20 0 FBADRM CCCS(=O)(=O)[N-]C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC001116113959 842904347 /nfs/dbraw/zinc/90/43/47/842904347.db2.gz ZGCGPTUYYKCNRU-UHFFFAOYSA-N -1 0 353.408 -0.408 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC001116153336 842907881 /nfs/dbraw/zinc/90/78/81/842907881.db2.gz DFDUVYSOQSVOEM-UHFFFAOYSA-N -1 0 368.423 -0.952 20 0 FBADRM CCO[C@H](C)c1noc(CN2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)n1 ZINC001116157252 842907703 /nfs/dbraw/zinc/90/77/03/842907703.db2.gz QIELMOVHVFESSG-SECBINFHSA-N -1 0 351.367 -0.051 20 0 FBADRM CCO[C@@H](C)c1noc(CN2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)n1 ZINC001116157253 842907464 /nfs/dbraw/zinc/90/74/64/842907464.db2.gz QIELMOVHVFESSG-VIFPVBQESA-N -1 0 351.367 -0.051 20 0 FBADRM Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)N(C)C)cc12 ZINC001116161737 842908317 /nfs/dbraw/zinc/90/83/17/842908317.db2.gz XCMDWEBOHWMLBW-MRVPVSSYSA-N -1 0 373.460 -0.016 20 0 FBADRM Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)N(C)C)cc12 ZINC001116161740 842908381 /nfs/dbraw/zinc/90/83/81/842908381.db2.gz XCMDWEBOHWMLBW-QMMMGPOBSA-N -1 0 373.460 -0.016 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)Cc1ccon1)S(=O)(=O)c1cccnc1 ZINC001116183945 842909301 /nfs/dbraw/zinc/90/93/01/842909301.db2.gz RIQYALDTSLDWDN-UHFFFAOYSA-N -1 0 374.400 -0.664 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)Cc2ccon2)CC1 ZINC001116191017 842910963 /nfs/dbraw/zinc/91/09/63/842910963.db2.gz ODONNBHMDJXXOR-UHFFFAOYSA-N -1 0 365.433 -0.318 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)C2CCN(S(C)(=O)=O)CC2)cn1 ZINC001116201986 842911857 /nfs/dbraw/zinc/91/18/57/842911857.db2.gz BABRNAYWGPRDML-UHFFFAOYSA-N -1 0 364.449 -0.621 20 0 FBADRM NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CO[C@@H]2CCOC2)cc1 ZINC001116202961 842911879 /nfs/dbraw/zinc/91/18/79/842911879.db2.gz WBLUNBWUPKVIAQ-LLVKDONJSA-N -1 0 357.388 -0.535 20 0 FBADRM NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CO[C@H]2CCOC2)cc1 ZINC001116202962 842911739 /nfs/dbraw/zinc/91/17/39/842911739.db2.gz WBLUNBWUPKVIAQ-NSHDSACASA-N -1 0 357.388 -0.535 20 0 FBADRM CC(=O)N1CCCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC001116208682 842912645 /nfs/dbraw/zinc/91/26/45/842912645.db2.gz CPGCMRALGFWJCU-UHFFFAOYSA-N -1 0 367.387 -0.321 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)n1 ZINC001116213949 842913261 /nfs/dbraw/zinc/91/32/61/842913261.db2.gz AADPHPMGEQYRJK-UHFFFAOYSA-N -1 0 362.371 -0.334 20 0 FBADRM COc1cc(OC)cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)N(C)C)CC2=O)c1 ZINC001116224872 842915269 /nfs/dbraw/zinc/91/52/69/842915269.db2.gz IGAXQMFPTZISJI-JTQLQIEISA-N -1 0 371.415 -0.021 20 0 FBADRM COc1cc(OC)cc(N2C[C@H](C(=O)[N-]S(=O)(=O)N(C)C)CC2=O)c1 ZINC001116224873 842915009 /nfs/dbraw/zinc/91/50/09/842915009.db2.gz IGAXQMFPTZISJI-SNVBAGLBSA-N -1 0 371.415 -0.021 20 0 FBADRM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)c1 ZINC001116272837 842920640 /nfs/dbraw/zinc/92/06/40/842920640.db2.gz NLHYKBCGXCHQPE-JTQLQIEISA-N -1 0 353.400 -0.281 20 0 FBADRM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)c1 ZINC001116272838 842920384 /nfs/dbraw/zinc/92/03/84/842920384.db2.gz NLHYKBCGXCHQPE-SNVBAGLBSA-N -1 0 353.400 -0.281 20 0 FBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001116297571 842923789 /nfs/dbraw/zinc/92/37/89/842923789.db2.gz PBJNHXKVSIBAQG-LLVKDONJSA-N -1 0 354.384 -0.197 20 0 FBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC001116297572 842923743 /nfs/dbraw/zinc/92/37/43/842923743.db2.gz PBJNHXKVSIBAQG-NSHDSACASA-N -1 0 354.384 -0.197 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)C1CCN(C(=O)C(C)C)CC1 ZINC001116301013 842923650 /nfs/dbraw/zinc/92/36/50/842923650.db2.gz HWXNHNKMYXCWFB-UHFFFAOYSA-N -1 0 364.464 -0.010 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(C)s1 ZINC001116301389 842923603 /nfs/dbraw/zinc/92/36/03/842923603.db2.gz KTAAYQQNNMZWGH-UHFFFAOYSA-N -1 0 364.445 -0.105 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC001116304239 842923643 /nfs/dbraw/zinc/92/36/43/842923643.db2.gz IZSVUPCZYGOBNL-UHFFFAOYSA-N -1 0 365.452 -0.511 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NCC2(CO)COC2)c1 ZINC001116339212 842927496 /nfs/dbraw/zinc/92/74/96/842927496.db2.gz WNWHKLLMRBETNV-UHFFFAOYSA-N -1 0 371.415 -0.245 20 0 FBADRM CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)n1 ZINC001116356440 842930722 /nfs/dbraw/zinc/93/07/22/842930722.db2.gz WTBUZLRMVMQHDT-LLVKDONJSA-N -1 0 368.419 -0.070 20 0 FBADRM CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)n1 ZINC001116356441 842931158 /nfs/dbraw/zinc/93/11/58/842931158.db2.gz WTBUZLRMVMQHDT-NSHDSACASA-N -1 0 368.419 -0.070 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1nc(=O)o[n-]1 ZINC001116367667 842932254 /nfs/dbraw/zinc/93/22/54/842932254.db2.gz NRASXVCUVWXVSZ-ZETCQYMHSA-N -1 0 360.779 -0.001 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)CCc2cnn(C)c2)s1 ZINC001116390314 842935820 /nfs/dbraw/zinc/93/58/20/842935820.db2.gz KJSJHLDDIGVHIU-UHFFFAOYSA-N -1 0 358.405 -0.332 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C(=O)C2)s1 ZINC001116390350 842936054 /nfs/dbraw/zinc/93/60/54/842936054.db2.gz MMYXMYDTVUQUHF-SSDOTTSWSA-N -1 0 361.405 -0.830 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C(=O)C2)s1 ZINC001116390351 842936478 /nfs/dbraw/zinc/93/64/78/842936478.db2.gz MMYXMYDTVUQUHF-ZETCQYMHSA-N -1 0 361.405 -0.830 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCCC2)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC001116403876 842936796 /nfs/dbraw/zinc/93/67/96/842936796.db2.gz JFKPIOYXYSHPAO-LLVKDONJSA-N -1 0 358.420 -0.746 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCCC2)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC001116403877 842937091 /nfs/dbraw/zinc/93/70/91/842937091.db2.gz JFKPIOYXYSHPAO-NSHDSACASA-N -1 0 358.420 -0.746 20 0 FBADRM CCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1nc(=O)o[n-]1)C2=O ZINC001116407451 842938310 /nfs/dbraw/zinc/93/83/10/842938310.db2.gz KZPIEWNKNUPBHB-UHFFFAOYSA-N -1 0 351.363 -0.130 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1nc(=O)o[n-]1 ZINC001116409647 842938044 /nfs/dbraw/zinc/93/80/44/842938044.db2.gz YLUUBWVSALDWHW-UHFFFAOYSA-N -1 0 369.403 -0.194 20 0 FBADRM O=C(CCNS(=O)(=O)C=Cc1ccccc1)NCc1nc(=O)o[n-]1 ZINC001116417736 842938010 /nfs/dbraw/zinc/93/80/10/842938010.db2.gz QZFINJANVNYDMN-CLFYSBASSA-N -1 0 352.372 -0.041 20 0 FBADRM O=C(CCNS(=O)(=O)C=Cc1ccccc1)NCc1nc(=O)o[n-]1 ZINC001116417737 842937743 /nfs/dbraw/zinc/93/77/43/842937743.db2.gz QZFINJANVNYDMN-VQHVLOKHSA-N -1 0 352.372 -0.041 20 0 FBADRM O=C1CC[C@@H]2CN(S(=O)(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)CCN12 ZINC001116422020 842939166 /nfs/dbraw/zinc/93/91/66/842939166.db2.gz ITDTTZFOWBPZLB-MRVPVSSYSA-N -1 0 365.371 -0.569 20 0 FBADRM O=C1CC[C@H]2CN(S(=O)(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)CCN12 ZINC001116422021 842939390 /nfs/dbraw/zinc/93/93/90/842939390.db2.gz ITDTTZFOWBPZLB-QMMMGPOBSA-N -1 0 365.371 -0.569 20 0 FBADRM CN(Cc1nccn1C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001116430308 842940351 /nfs/dbraw/zinc/94/03/51/842940351.db2.gz IEPDKKIJXBOZKZ-UHFFFAOYSA-N -1 0 350.360 -0.010 20 0 FBADRM Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001116444593 842941637 /nfs/dbraw/zinc/94/16/37/842941637.db2.gz ZEZWQUOZYGKCBJ-NEPJUHHUSA-N -1 0 365.415 -0.265 20 0 FBADRM Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001116444594 842942255 /nfs/dbraw/zinc/94/22/55/842942255.db2.gz ZEZWQUOZYGKCBJ-NWDGAFQWSA-N -1 0 365.415 -0.265 20 0 FBADRM Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001116444595 842942186 /nfs/dbraw/zinc/94/21/86/842942186.db2.gz ZEZWQUOZYGKCBJ-RYUDHWBXSA-N -1 0 365.415 -0.265 20 0 FBADRM Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001116444596 842941742 /nfs/dbraw/zinc/94/17/42/842941742.db2.gz ZEZWQUOZYGKCBJ-VXGBXAGGSA-N -1 0 365.415 -0.265 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCC(=O)NCc2nc(=O)o[n-]2)cc1C ZINC001116446680 842941650 /nfs/dbraw/zinc/94/16/50/842941650.db2.gz ZDGLEZTZMHTRHC-UHFFFAOYSA-N -1 0 354.388 -0.035 20 0 FBADRM CN(CC(=O)NCc1nc(=O)o[n-]1)C1=NS(=O)(=O)c2ccccc21 ZINC001116447393 842941943 /nfs/dbraw/zinc/94/19/43/842941943.db2.gz GZHUULCXUOLTNJ-UHFFFAOYSA-N -1 0 351.344 -0.940 20 0 FBADRM Cc1cn2c(ncc(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)c2=O)s1 ZINC001116459452 842942880 /nfs/dbraw/zinc/94/28/80/842942880.db2.gz GIWMEYSOZKLVLS-UHFFFAOYSA-N -1 0 354.373 -0.162 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc2c1CCC2 ZINC001116479966 842944543 /nfs/dbraw/zinc/94/45/43/842944543.db2.gz BLUZHYKISFSRFH-HNNXBMFYSA-N -1 0 354.384 -0.204 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc2c1CCC2 ZINC001116479967 842944613 /nfs/dbraw/zinc/94/46/13/842944613.db2.gz BLUZHYKISFSRFH-OAHLLOKOSA-N -1 0 354.384 -0.204 20 0 FBADRM Cn1cc(C(N)=O)c([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)n1 ZINC001116480216 842944728 /nfs/dbraw/zinc/94/47/28/842944728.db2.gz HFGFBIXTAWFSJT-UHFFFAOYSA-N -1 0 364.387 -0.490 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2nn(C)cc2C(N)=O)cc1 ZINC001116481030 842945583 /nfs/dbraw/zinc/94/55/83/842945583.db2.gz YRAJZRMJLRUWED-UHFFFAOYSA-N -1 0 365.415 -0.002 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCC(C(=O)NC3(C(=O)[O-])CC3)CC2)cn1C ZINC001116491760 842946844 /nfs/dbraw/zinc/94/68/44/842946844.db2.gz IILPXNJSQGMBOG-UHFFFAOYSA-N -1 0 370.431 -0.137 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC001116498505 842946570 /nfs/dbraw/zinc/94/65/70/842946570.db2.gz ULMFCLIUIKLOSK-UHFFFAOYSA-N -1 0 366.465 -0.408 20 0 FBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC001116511111 842948388 /nfs/dbraw/zinc/94/83/88/842948388.db2.gz KCULLDXLZJWPHV-JTQLQIEISA-N -1 0 354.388 -0.501 20 0 FBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC001116511112 842948482 /nfs/dbraw/zinc/94/84/82/842948482.db2.gz KCULLDXLZJWPHV-SNVBAGLBSA-N -1 0 354.388 -0.501 20 0 FBADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)C1CCC2(CC1)NC(=O)NC2=O ZINC001116511229 842948594 /nfs/dbraw/zinc/94/85/94/842948594.db2.gz OTLVZORRBBFFIQ-OPASDULOSA-N -1 0 359.404 -0.620 20 0 FBADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)C1CCC2(CC1)NC(=O)NC2=O ZINC001116511230 842948779 /nfs/dbraw/zinc/94/87/79/842948779.db2.gz OTLVZORRBBFFIQ-XIRUVYRFSA-N -1 0 359.404 -0.620 20 0 FBADRM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)CO[C@@H]2CCOC2)cc1 ZINC001116511400 842948954 /nfs/dbraw/zinc/94/89/54/842948954.db2.gz RWIBLAQNYNIXAA-GFCCVEGCSA-N -1 0 356.400 -0.001 20 0 FBADRM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)CO[C@H]2CCOC2)cc1 ZINC001116511401 842948398 /nfs/dbraw/zinc/94/83/98/842948398.db2.gz RWIBLAQNYNIXAA-LBPRGKRZSA-N -1 0 356.400 -0.001 20 0 FBADRM COCCOc1ccc(F)cc1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001116514392 842949304 /nfs/dbraw/zinc/94/93/04/842949304.db2.gz XIAAXEWPLSGONM-UHFFFAOYSA-N -1 0 353.310 -0.071 20 0 FBADRM CN(CCCOc1cccc(S(C)(=O)=O)c1)CC(=O)NCC(=O)[O-] ZINC001116515883 842949277 /nfs/dbraw/zinc/94/92/77/842949277.db2.gz PZMQKQNQPJUUNF-UHFFFAOYSA-N -1 0 358.416 -0.008 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)C1CCC2(CC1)NC(=O)NC2=O ZINC001116520777 842949788 /nfs/dbraw/zinc/94/97/88/842949788.db2.gz VAGOYVBVFGTREG-OPASDULOSA-N -1 0 359.404 -0.620 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)C1CCC2(CC1)NC(=O)NC2=O ZINC001116520778 842949658 /nfs/dbraw/zinc/94/96/58/842949658.db2.gz VAGOYVBVFGTREG-XIRUVYRFSA-N -1 0 359.404 -0.620 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)CC1 ZINC001116522228 842949913 /nfs/dbraw/zinc/94/99/13/842949913.db2.gz WIZLQGCZEJAAGJ-LLVKDONJSA-N -1 0 354.450 -0.717 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC001116522229 842949688 /nfs/dbraw/zinc/94/96/88/842949688.db2.gz WIZLQGCZEJAAGJ-NSHDSACASA-N -1 0 354.450 -0.717 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC001116523659 842949471 /nfs/dbraw/zinc/94/94/71/842949471.db2.gz GGCCWSNMYSRESL-UHFFFAOYSA-N -1 0 354.392 -0.013 20 0 FBADRM CN1C(=O)CN([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)C1=O ZINC001116530851 842950758 /nfs/dbraw/zinc/95/07/58/842950758.db2.gz ZMDCTCVCWKENRQ-UHFFFAOYSA-N -1 0 374.762 -0.242 20 0 FBADRM CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC001116544714 842951840 /nfs/dbraw/zinc/95/18/40/842951840.db2.gz WGCOVCZNVBCMAL-NSHDSACASA-N -1 0 354.388 -0.719 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)N2C)s1 ZINC001116559033 842952572 /nfs/dbraw/zinc/95/25/72/842952572.db2.gz KAULABNBFCGDQZ-JTQLQIEISA-N -1 0 359.429 -0.190 20 0 FBADRM COc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1CC(=O)[O-] ZINC001116582972 842955512 /nfs/dbraw/zinc/95/55/12/842955512.db2.gz BVFBCUFTEWPGKT-UHFFFAOYSA-N -1 0 358.416 -0.067 20 0 FBADRM CNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1 ZINC001116596972 842956853 /nfs/dbraw/zinc/95/68/53/842956853.db2.gz AJMMMEDPIGVOMX-GFCCVEGCSA-N -1 0 366.403 -0.750 20 0 FBADRM CNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1 ZINC001116596973 842956174 /nfs/dbraw/zinc/95/61/74/842956174.db2.gz AJMMMEDPIGVOMX-LBPRGKRZSA-N -1 0 366.403 -0.750 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC001116607234 842957615 /nfs/dbraw/zinc/95/76/15/842957615.db2.gz KFZLBESNHYOFFQ-UHFFFAOYSA-N -1 0 356.466 -0.469 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)CN(C)C(=O)C1CC1 ZINC001116611733 837414793 /nfs/dbraw/zinc/41/47/93/837414793.db2.gz QGRLJZDFGZDIGI-UHFFFAOYSA-N -1 0 361.401 -0.397 20 0 FBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC001116624068 842958612 /nfs/dbraw/zinc/95/86/12/842958612.db2.gz CVQWKTCWYWIFLR-UHFFFAOYSA-N -1 0 367.380 -0.862 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCOCCS(C)(=O)=O ZINC001116624431 842958318 /nfs/dbraw/zinc/95/83/18/842958318.db2.gz LOGJODNMYDCWAY-UHFFFAOYSA-N -1 0 372.446 -0.731 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCCN1C(=O)CNC1=O ZINC001116624958 842958576 /nfs/dbraw/zinc/95/85/76/842958576.db2.gz XCMPMFVQJFKPLP-UHFFFAOYSA-N -1 0 362.389 -0.850 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC001116630262 842959427 /nfs/dbraw/zinc/95/94/27/842959427.db2.gz WYHMPCBEPYAGQG-UHFFFAOYSA-N -1 0 353.389 -0.291 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)Cc2cccnc2)CC1 ZINC001116633063 842959768 /nfs/dbraw/zinc/95/97/68/842959768.db2.gz MMHQZDPNWOWTTG-UHFFFAOYSA-N -1 0 361.445 -0.301 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC001116633133 842959318 /nfs/dbraw/zinc/95/93/18/842959318.db2.gz PRBWETXZQKKROO-UHFFFAOYSA-N -1 0 356.404 -0.254 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCCC2)[N-]S(=O)(=O)Cc1cccnc1 ZINC001116633233 842959203 /nfs/dbraw/zinc/95/92/03/842959203.db2.gz USJBOLQXKHZTBG-UHFFFAOYSA-N -1 0 365.415 -0.188 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCCN(C(N)=O)CC2)c1 ZINC001116635438 842959750 /nfs/dbraw/zinc/95/97/50/842959750.db2.gz AKEDQDHPNOFVNE-UHFFFAOYSA-N -1 0 370.431 -0.131 20 0 FBADRM CN1C(=O)CN([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)C1=O ZINC001116635637 842959719 /nfs/dbraw/zinc/95/97/19/842959719.db2.gz GLFDBPOXVARCOJ-UHFFFAOYSA-N -1 0 361.401 -0.682 20 0 FBADRM COCCOCCC(=O)[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC001116637375 842960417 /nfs/dbraw/zinc/96/04/17/842960417.db2.gz WGYGMESYSSAHAB-UHFFFAOYSA-N -1 0 352.390 -0.212 20 0 FBADRM O=C([N-]OC1CCOCC1)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC001116642403 842960578 /nfs/dbraw/zinc/96/05/78/842960578.db2.gz QQHNLKOMQASLEF-UHFFFAOYSA-N -1 0 350.310 -0.033 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)CCc2ccnn2C)s1 ZINC001116646452 842960266 /nfs/dbraw/zinc/96/02/66/842960266.db2.gz HBJSVBMHNNZUMW-UHFFFAOYSA-N -1 0 358.405 -0.332 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cn1 ZINC001116657438 842961214 /nfs/dbraw/zinc/96/12/14/842961214.db2.gz CGIMUPLZTCJDAM-LLVKDONJSA-N -1 0 365.419 -0.135 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cn1 ZINC001116657439 842961356 /nfs/dbraw/zinc/96/13/56/842961356.db2.gz CGIMUPLZTCJDAM-NSHDSACASA-N -1 0 365.419 -0.135 20 0 FBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC001116657807 842961402 /nfs/dbraw/zinc/96/14/02/842961402.db2.gz BJHIPTIWQKJMMV-JTQLQIEISA-N -1 0 360.403 -0.297 20 0 FBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001116657810 842961801 /nfs/dbraw/zinc/96/18/01/842961801.db2.gz BJHIPTIWQKJMMV-SNVBAGLBSA-N -1 0 360.403 -0.297 20 0 FBADRM COc1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cc1C(=O)N(C)C ZINC001116659765 842961685 /nfs/dbraw/zinc/96/16/85/842961685.db2.gz KCTPKWHCDCSSJF-NSHDSACASA-N -1 0 360.388 -0.489 20 0 FBADRM COCCCNC(=O)C1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001116662902 842962526 /nfs/dbraw/zinc/96/25/26/842962526.db2.gz IAEPCHIASHLLII-UHFFFAOYSA-N -1 0 357.436 -0.006 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)N[C@H](CN1CCOCC1)C(=O)[O-] ZINC001116663484 842962391 /nfs/dbraw/zinc/96/23/91/842962391.db2.gz OPTYMTMUVQMHQX-GFCCVEGCSA-N -1 0 374.463 -0.391 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)[O-] ZINC001116663485 842962646 /nfs/dbraw/zinc/96/26/46/842962646.db2.gz OPTYMTMUVQMHQX-LBPRGKRZSA-N -1 0 374.463 -0.391 20 0 FBADRM CCN(C1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1)S(C)(=O)=O ZINC001116663524 842962633 /nfs/dbraw/zinc/96/26/33/842962633.db2.gz PBQDAQKNOZXDLU-UHFFFAOYSA-N -1 0 363.465 -0.125 20 0 FBADRM NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cn2c(n1)CCCC2 ZINC001116663535 842962436 /nfs/dbraw/zinc/96/24/36/842962436.db2.gz XZEAPJYMDJTTMH-NXEZZACHSA-N -1 0 356.404 -0.441 20 0 FBADRM NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cn2c(n1)CCCC2 ZINC001116663536 842962671 /nfs/dbraw/zinc/96/26/71/842962671.db2.gz XZEAPJYMDJTTMH-UWVGGRQHSA-N -1 0 356.404 -0.441 20 0 FBADRM NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cn2c(n1)CCCC2 ZINC001116663566 842962714 /nfs/dbraw/zinc/96/27/14/842962714.db2.gz XZEAPJYMDJTTMH-VHSXEESVSA-N -1 0 356.404 -0.441 20 0 FBADRM NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cn2c(n1)CCCC2 ZINC001116663571 842962400 /nfs/dbraw/zinc/96/24/00/842962400.db2.gz XZEAPJYMDJTTMH-ZJUUUORDSA-N -1 0 356.404 -0.441 20 0 FBADRM CN1CC(=O)N(CCCC(=O)N2CCSC[C@@H]2c2nnn[n-]2)C1=O ZINC001116663728 842962618 /nfs/dbraw/zinc/96/26/18/842962618.db2.gz QQPKWRVERTUZGP-SECBINFHSA-N -1 0 353.408 -0.510 20 0 FBADRM CN1CC(=O)N(CCCC(=O)N2CCSC[C@H]2c2nnn[n-]2)C1=O ZINC001116663729 842962758 /nfs/dbraw/zinc/96/27/58/842962758.db2.gz QQPKWRVERTUZGP-VIFPVBQESA-N -1 0 353.408 -0.510 20 0 FBADRM CCn1cncc1S(=O)(=O)N[C@H](CCC(=O)[O-])CN1CCOCC1 ZINC001116663769 842962636 /nfs/dbraw/zinc/96/26/36/842962636.db2.gz RQRBDOXZWQTNDS-GFCCVEGCSA-N -1 0 360.436 -0.253 20 0 FBADRM CCn1cncc1S(=O)(=O)N[C@@H](CCC(=O)[O-])CN1CCOCC1 ZINC001116663770 842962667 /nfs/dbraw/zinc/96/26/67/842962667.db2.gz RQRBDOXZWQTNDS-LBPRGKRZSA-N -1 0 360.436 -0.253 20 0 FBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001116663961 842962690 /nfs/dbraw/zinc/96/26/90/842962690.db2.gz VEBKWROZDDQIAI-BDAKNGLRSA-N -1 0 363.490 -0.264 20 0 FBADRM O=C(CS[C@H]1CCS(=O)(=O)C1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001116663962 842962599 /nfs/dbraw/zinc/96/25/99/842962599.db2.gz VEBKWROZDDQIAI-DTWKUNHWSA-N -1 0 363.490 -0.264 20 0 FBADRM O=C(CS[C@H]1CCS(=O)(=O)C1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001116663963 842962703 /nfs/dbraw/zinc/96/27/03/842962703.db2.gz VEBKWROZDDQIAI-IUCAKERBSA-N -1 0 363.490 -0.264 20 0 FBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001116663964 842962507 /nfs/dbraw/zinc/96/25/07/842962507.db2.gz VEBKWROZDDQIAI-RKDXNWHRSA-N -1 0 363.490 -0.264 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1)C(=O)C1CC1 ZINC001116666746 842963233 /nfs/dbraw/zinc/96/32/33/842963233.db2.gz WNLXTTJAHUFFNC-UHFFFAOYSA-N -1 0 351.388 -0.358 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)CN1CCN(c2ccccn2)CC1 ZINC001116669558 842963380 /nfs/dbraw/zinc/96/33/80/842963380.db2.gz UBYSZTVVGTXPFC-UHFFFAOYSA-N -1 0 355.464 -0.095 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)CCc3nnc[nH]3)cc2n(C)c1=O ZINC001116672048 842963477 /nfs/dbraw/zinc/96/34/77/842963477.db2.gz MFNAKWLPTALRAJ-UHFFFAOYSA-N -1 0 364.387 -0.567 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c2ccoc2)c(C)nn1C ZINC001116672587 842963652 /nfs/dbraw/zinc/96/36/52/842963652.db2.gz BPHWDRPDWPZZOE-SECBINFHSA-N -1 0 370.387 -0.046 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c2ccoc2)c(C)nn1C ZINC001116672588 842963344 /nfs/dbraw/zinc/96/33/44/842963344.db2.gz BPHWDRPDWPZZOE-VIFPVBQESA-N -1 0 370.387 -0.046 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@]23CCC(=O)N2CCS3)c(C)nn1C ZINC001116672820 842964507 /nfs/dbraw/zinc/96/45/07/842964507.db2.gz GELOIFMPAXCFHZ-CYBMUJFWSA-N -1 0 374.444 -0.392 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@@]23CCC(=O)N2CCS3)c(C)nn1C ZINC001116672821 842964121 /nfs/dbraw/zinc/96/41/21/842964121.db2.gz GELOIFMPAXCFHZ-ZDUSSCGKSA-N -1 0 374.444 -0.392 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])s1 ZINC001116683288 842964454 /nfs/dbraw/zinc/96/44/54/842964454.db2.gz JXJMVVPBXBITGG-SNVBAGLBSA-N -1 0 350.418 -0.459 20 0 FBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC001116683567 842964282 /nfs/dbraw/zinc/96/42/82/842964282.db2.gz OKAFSFDQSXYOHF-CYBMUJFWSA-N -1 0 369.403 -0.068 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC001116683568 842964326 /nfs/dbraw/zinc/96/43/26/842964326.db2.gz OKAFSFDQSXYOHF-ZDUSSCGKSA-N -1 0 369.403 -0.068 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)s1 ZINC001116684309 842964192 /nfs/dbraw/zinc/96/41/92/842964192.db2.gz AKDSEOVTECFQHV-HQJQHLMTSA-N -1 0 350.418 -0.461 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)cn1C ZINC001116684391 842965162 /nfs/dbraw/zinc/96/51/62/842965162.db2.gz DAPZFCXLJVTESU-UHFFFAOYSA-N -1 0 373.431 -0.017 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])c1 ZINC001116684571 842965004 /nfs/dbraw/zinc/96/50/04/842965004.db2.gz GRGDKMJDBRDCOQ-JTQLQIEISA-N -1 0 362.360 -0.870 20 0 FBADRM COC(=O)c1coc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])c1 ZINC001116684572 842965449 /nfs/dbraw/zinc/96/54/49/842965449.db2.gz GRGDKMJDBRDCOQ-SNVBAGLBSA-N -1 0 362.360 -0.870 20 0 FBADRM CN(C1CCOCC1)S(=O)(=O)NC[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC001116684580 842965104 /nfs/dbraw/zinc/96/51/04/842965104.db2.gz GVEPFVSQAJNHTG-GFCCVEGCSA-N -1 0 360.436 -0.391 20 0 FBADRM CN(C1CCOCC1)S(=O)(=O)NC[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC001116684581 842965153 /nfs/dbraw/zinc/96/51/53/842965153.db2.gz GVEPFVSQAJNHTG-LBPRGKRZSA-N -1 0 360.436 -0.391 20 0 FBADRM O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)c1cccc2c1OCCO2 ZINC001116684760 842965127 /nfs/dbraw/zinc/96/51/27/842965127.db2.gz KSOLUHSUMXTWIR-LLVKDONJSA-N -1 0 372.399 -0.479 20 0 FBADRM O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)c1cccc2c1OCCO2 ZINC001116684762 842965315 /nfs/dbraw/zinc/96/53/15/842965315.db2.gz KSOLUHSUMXTWIR-NSHDSACASA-N -1 0 372.399 -0.479 20 0 FBADRM CN(C)C(=O)c1cccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC001116684860 842964989 /nfs/dbraw/zinc/96/49/89/842964989.db2.gz MEBRAUQVEMFEAT-UHFFFAOYSA-N -1 0 367.387 -0.457 20 0 FBADRM CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC001116684993 842965329 /nfs/dbraw/zinc/96/53/29/842965329.db2.gz PIQWJQSYBXQNKR-VIFPVBQESA-N -1 0 371.820 -0.392 20 0 FBADRM COc1cc(F)cc(F)c1S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC001116685126 842965242 /nfs/dbraw/zinc/96/52/42/842965242.db2.gz UWHZACKDTPRHDE-QMMMGPOBSA-N -1 0 352.315 -0.030 20 0 FBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1 ZINC001116688544 842965175 /nfs/dbraw/zinc/96/51/75/842965175.db2.gz USIIHJICHRVTKB-UHFFFAOYSA-N -1 0 355.376 -0.091 20 0 FBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1cnn(CC(F)F)c1 ZINC001116689762 842966354 /nfs/dbraw/zinc/96/63/54/842966354.db2.gz FTDBEKRTWKEOSY-HXNGOWOSSA-N -1 0 357.360 -0.646 20 0 FBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)c1cnn(CC(F)F)c1 ZINC001116689763 842966394 /nfs/dbraw/zinc/96/63/94/842966394.db2.gz FTDBEKRTWKEOSY-IJSAXESFSA-N -1 0 357.360 -0.646 20 0 FBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1cnn(CC(F)F)c1 ZINC001116689764 842966150 /nfs/dbraw/zinc/96/61/50/842966150.db2.gz FTDBEKRTWKEOSY-PPRQPISWSA-N -1 0 357.360 -0.646 20 0 FBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1cnn(CC(F)F)c1 ZINC001116689765 842966029 /nfs/dbraw/zinc/96/60/29/842966029.db2.gz FTDBEKRTWKEOSY-ZEDNOMKYSA-N -1 0 357.360 -0.646 20 0 FBADRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2OC)C1 ZINC001116693252 842965892 /nfs/dbraw/zinc/96/58/92/842965892.db2.gz IBPJWVSLWQHLIU-JTQLQIEISA-N -1 0 358.420 -0.199 20 0 FBADRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2OC)C1 ZINC001116693253 842966107 /nfs/dbraw/zinc/96/61/07/842966107.db2.gz IBPJWVSLWQHLIU-SNVBAGLBSA-N -1 0 358.420 -0.199 20 0 FBADRM CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2OC)n1 ZINC001116693778 842967355 /nfs/dbraw/zinc/96/73/55/842967355.db2.gz YAKQBLQGVOIVNJ-UHFFFAOYSA-N -1 0 367.387 -0.390 20 0 FBADRM CO[N-]C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC001116717225 842971068 /nfs/dbraw/zinc/97/10/68/842971068.db2.gz NNSMLDVZOXLITE-UHFFFAOYSA-N -1 0 361.351 -0.537 20 0 FBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC001116723537 842972015 /nfs/dbraw/zinc/97/20/15/842972015.db2.gz CHQIMHVWBARHRU-UHFFFAOYSA-N -1 0 360.413 -0.189 20 0 FBADRM COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)[N-]OCCO ZINC001116725181 842972028 /nfs/dbraw/zinc/97/20/28/842972028.db2.gz TYBTXNBENSVMAC-GFCCVEGCSA-N -1 0 374.415 -0.732 20 0 FBADRM COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)[N-]OCCO ZINC001116725182 842971987 /nfs/dbraw/zinc/97/19/87/842971987.db2.gz TYBTXNBENSVMAC-LBPRGKRZSA-N -1 0 374.415 -0.732 20 0 FBADRM Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)c1C ZINC001116732118 842974124 /nfs/dbraw/zinc/97/41/24/842974124.db2.gz FMGCUUVSTDGIRM-LLVKDONJSA-N -1 0 371.415 -0.026 20 0 FBADRM Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)c1C ZINC001116732119 842974132 /nfs/dbraw/zinc/97/41/32/842974132.db2.gz FMGCUUVSTDGIRM-NSHDSACASA-N -1 0 371.415 -0.026 20 0 FBADRM CO[N-]C(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC ZINC001116735133 842974660 /nfs/dbraw/zinc/97/46/60/842974660.db2.gz MMKMCIDSYDQJFK-UHFFFAOYSA-N -1 0 350.375 -0.301 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC001116735386 842974767 /nfs/dbraw/zinc/97/47/67/842974767.db2.gz WIXFEOJFARIHFE-UHFFFAOYSA-N -1 0 351.544 -0.031 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCn2ccnn2)c1 ZINC001116740886 842975615 /nfs/dbraw/zinc/97/56/15/842975615.db2.gz KTNHWIFPKPMJCN-UHFFFAOYSA-N -1 0 358.401 -0.423 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)NCCC2CS(=O)(=O)C2)cc1 ZINC001116742092 842975568 /nfs/dbraw/zinc/97/55/68/842975568.db2.gz DWVQVJGBJZJKPH-UHFFFAOYSA-N -1 0 363.413 -0.137 20 0 FBADRM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C(=O)CS(C)(=O)=O ZINC001116742556 842975844 /nfs/dbraw/zinc/97/58/44/842975844.db2.gz WNHBKYSYDIYSQC-UHFFFAOYSA-N -1 0 369.392 -0.300 20 0 FBADRM CCN(c1ccccc1)S(=O)(=O)[N-]C(=O)Cn1ccc(=O)n(C)c1=O ZINC001116750823 842976980 /nfs/dbraw/zinc/97/69/80/842976980.db2.gz PKUMEEGDDSMHKP-UHFFFAOYSA-N -1 0 366.399 -0.566 20 0 FBADRM CS(=O)(=O)NCc1ccc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cc1 ZINC001116751612 842976852 /nfs/dbraw/zinc/97/68/52/842976852.db2.gz PYVSEKXXOMLBIH-GFCCVEGCSA-N -1 0 371.415 -0.241 20 0 FBADRM CS(=O)(=O)NCc1ccc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)cc1 ZINC001116751613 842977012 /nfs/dbraw/zinc/97/70/12/842977012.db2.gz PYVSEKXXOMLBIH-LBPRGKRZSA-N -1 0 371.415 -0.241 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)[N-]N2CCCNC2=O)ccc1F ZINC001116753463 842976397 /nfs/dbraw/zinc/97/63/97/842976397.db2.gz YRRVOGYOEYZEOY-UHFFFAOYSA-N -1 0 351.381 -0.162 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)nn2)c(=O)n(C)c1=O ZINC001116757353 842977679 /nfs/dbraw/zinc/97/76/79/842977679.db2.gz ULERASSWECLWIA-UHFFFAOYSA-N -1 0 353.404 -0.028 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2c(C)nn(COC)c2C)cn1 ZINC001116759778 842977527 /nfs/dbraw/zinc/97/75/27/842977527.db2.gz OMONOOMFRSCDJI-UHFFFAOYSA-N -1 0 356.408 -0.153 20 0 FBADRM CCN(c1ccccc1)S(=O)(=O)[N-]C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001116764991 842977816 /nfs/dbraw/zinc/97/78/16/842977816.db2.gz FUVFQBDMZXVWQC-UHFFFAOYSA-N -1 0 366.399 -0.415 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)NCC2(C(=O)[O-])CCOCC2)cc1 ZINC001116771816 842978489 /nfs/dbraw/zinc/97/84/89/842978489.db2.gz KBTHCGVWHCFUSE-UHFFFAOYSA-N -1 0 356.400 -0.126 20 0 FBADRM C[C@@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCS(=O)(=O)C1 ZINC001116773103 842979297 /nfs/dbraw/zinc/97/92/97/842979297.db2.gz IDMKWUJWTNSBSF-MRVPVSSYSA-N -1 0 352.372 -0.057 20 0 FBADRM C[C@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCS(=O)(=O)C1 ZINC001116773104 842979474 /nfs/dbraw/zinc/97/94/74/842979474.db2.gz IDMKWUJWTNSBSF-QMMMGPOBSA-N -1 0 352.372 -0.057 20 0 FBADRM CNC(=O)Cc1noc(COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)n1 ZINC001116782360 842980633 /nfs/dbraw/zinc/98/06/33/842980633.db2.gz PNCWUMGMNLYQGT-UHFFFAOYSA-N -1 0 352.269 -0.142 20 0 FBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC001116788516 842981414 /nfs/dbraw/zinc/98/14/14/842981414.db2.gz JPZHUMPFABDZCW-CKYFFXLPSA-N -1 0 351.446 -0.097 20 0 FBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC001116788517 842981254 /nfs/dbraw/zinc/98/12/54/842981254.db2.gz JPZHUMPFABDZCW-FOGDFJRCSA-N -1 0 351.446 -0.097 20 0 FBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC001116788518 842981149 /nfs/dbraw/zinc/98/11/49/842981149.db2.gz JPZHUMPFABDZCW-HOSYDEDBSA-N -1 0 351.446 -0.097 20 0 FBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC001116788519 842981346 /nfs/dbraw/zinc/98/13/46/842981346.db2.gz JPZHUMPFABDZCW-UMNHJUIQSA-N -1 0 351.446 -0.097 20 0 FBADRM Cc1nc2ncnn2c(C)c1CCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001116790596 842981111 /nfs/dbraw/zinc/98/11/11/842981111.db2.gz XOVXXRJTQFUUKW-UHFFFAOYSA-N -1 0 368.419 -0.744 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)C[C@]12CCOC2 ZINC001116797485 842982238 /nfs/dbraw/zinc/98/22/38/842982238.db2.gz UBOHQXDPNPZBBT-AAEUAGOBSA-N -1 0 367.445 -0.684 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)C[C@@]12CCOC2 ZINC001116797486 842982146 /nfs/dbraw/zinc/98/21/46/842982146.db2.gz UBOHQXDPNPZBBT-DGCLKSJQSA-N -1 0 367.445 -0.684 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)C[C@@]12CCOC2 ZINC001116797488 842982084 /nfs/dbraw/zinc/98/20/84/842982084.db2.gz UBOHQXDPNPZBBT-WCQYABFASA-N -1 0 367.445 -0.684 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)C[C@]12CCOC2 ZINC001116797490 842982181 /nfs/dbraw/zinc/98/21/81/842982181.db2.gz UBOHQXDPNPZBBT-YPMHNXCESA-N -1 0 367.445 -0.684 20 0 FBADRM COc1ccc(N2C(=O)[C@@H]3C[C@@H](O)CN3C2=O)cc1[N-]S(C)(=O)=O ZINC001116800291 842982357 /nfs/dbraw/zinc/98/23/57/842982357.db2.gz QPZBNGKYSGJXDE-KOLCDFICSA-N -1 0 355.372 -0.032 20 0 FBADRM Cc1cc([N-]C(=O)c2nc(CCN(C)S(=O)(=O)N(C)C)no2)no1 ZINC001116808782 842982926 /nfs/dbraw/zinc/98/29/26/842982926.db2.gz DPHHRUXDMJHIGP-UHFFFAOYSA-N -1 0 358.380 -0.101 20 0 FBADRM O=C([N-]S(=O)(=O)C1CCC1)C1CCN(c2ccc3nnnn3n2)CC1 ZINC001116811340 842983456 /nfs/dbraw/zinc/98/34/56/842983456.db2.gz PXAAXUXVEMETOQ-UHFFFAOYSA-N -1 0 365.419 -0.266 20 0 FBADRM CC1(C)CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCS1(=O)=O ZINC001116819463 842984086 /nfs/dbraw/zinc/98/40/86/842984086.db2.gz PLCYAKXSZDYINC-UHFFFAOYSA-N -1 0 353.404 -0.503 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001116844167 842987349 /nfs/dbraw/zinc/98/73/49/842987349.db2.gz NAMOVDWNXJSMMY-HNNXBMFYSA-N -1 0 366.399 -0.128 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC001116844168 842987295 /nfs/dbraw/zinc/98/72/95/842987295.db2.gz NAMOVDWNXJSMMY-OAHLLOKOSA-N -1 0 366.399 -0.128 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 ZINC001116845210 842987288 /nfs/dbraw/zinc/98/72/88/842987288.db2.gz JESJKXFBOBWBBI-UHFFFAOYSA-N -1 0 353.331 -0.778 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1 ZINC001116845433 842987157 /nfs/dbraw/zinc/98/71/57/842987157.db2.gz ORYANQIQTLJROE-UHFFFAOYSA-N -1 0 360.388 -0.257 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 ZINC001116845673 842986863 /nfs/dbraw/zinc/98/68/63/842986863.db2.gz UIUXWLASJDXFGK-UHFFFAOYSA-N -1 0 361.376 -0.301 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC001116857351 842988793 /nfs/dbraw/zinc/98/87/93/842988793.db2.gz MHHIWKNNSZWAKA-UHFFFAOYSA-N -1 0 351.359 -0.208 20 0 FBADRM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCc1nc(=O)o[n-]1 ZINC001116859544 842988428 /nfs/dbraw/zinc/98/84/28/842988428.db2.gz LMRHOXMAFMLUCL-AUTRQRHGSA-N -1 0 355.420 -0.253 20 0 FBADRM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)NCCc1nc(=O)o[n-]1 ZINC001116859545 842988706 /nfs/dbraw/zinc/98/87/06/842988706.db2.gz LMRHOXMAFMLUCL-HOTUBEGUSA-N -1 0 355.420 -0.253 20 0 FBADRM O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)NCCc1nc(=O)o[n-]1 ZINC001116859546 842988902 /nfs/dbraw/zinc/98/89/02/842988902.db2.gz LMRHOXMAFMLUCL-PTRXPTGYSA-N -1 0 355.420 -0.253 20 0 FBADRM O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)NCCc1nc(=O)o[n-]1 ZINC001116859547 842988453 /nfs/dbraw/zinc/98/84/53/842988453.db2.gz LMRHOXMAFMLUCL-VDDIYKPWSA-N -1 0 355.420 -0.253 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CCCN(CC(N)=O)C1 ZINC001116860787 842988824 /nfs/dbraw/zinc/98/88/24/842988824.db2.gz YPUXHLIQPXGUKM-KOLCDFICSA-N -1 0 352.357 -0.245 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CCCN(CC(N)=O)C1 ZINC001116860788 842988772 /nfs/dbraw/zinc/98/87/72/842988772.db2.gz YPUXHLIQPXGUKM-ONGXEEELSA-N -1 0 352.357 -0.245 20 0 FBADRM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)[N-]S(=O)(=O)c2cc[nH]n2)C1 ZINC001116881149 842991698 /nfs/dbraw/zinc/99/16/98/842991698.db2.gz RAUGIFXYVIQRBM-VIFPVBQESA-N -1 0 360.392 -0.150 20 0 FBADRM CO[C@@H]1CCN(C(=O)NC2CCN(S(C)(=O)=O)CC2)[C@H](C(=O)[O-])C1 ZINC001116887410 842992057 /nfs/dbraw/zinc/99/20/57/842992057.db2.gz FGHDFUSYJWRJMZ-NEPJUHHUSA-N -1 0 363.436 -0.316 20 0 FBADRM CO[C@H]1CCN(C(=O)NC2CCN(S(C)(=O)=O)CC2)[C@@H](C(=O)[O-])C1 ZINC001116887412 842992351 /nfs/dbraw/zinc/99/23/51/842992351.db2.gz FGHDFUSYJWRJMZ-NWDGAFQWSA-N -1 0 363.436 -0.316 20 0 FBADRM CO[C@H]1CCN(C(=O)NC2CCN(S(C)(=O)=O)CC2)[C@H](C(=O)[O-])C1 ZINC001116887414 842992065 /nfs/dbraw/zinc/99/20/65/842992065.db2.gz FGHDFUSYJWRJMZ-RYUDHWBXSA-N -1 0 363.436 -0.316 20 0 FBADRM CO[C@@H]1CCN(C(=O)NC2CCN(S(C)(=O)=O)CC2)[C@@H](C(=O)[O-])C1 ZINC001116887415 842992080 /nfs/dbraw/zinc/99/20/80/842992080.db2.gz FGHDFUSYJWRJMZ-VXGBXAGGSA-N -1 0 363.436 -0.316 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@H](CO)[C@@H]1CCOC1 ZINC001116891287 842992173 /nfs/dbraw/zinc/99/21/73/842992173.db2.gz GZCUJDJGTYKQHA-BDAKNGLRSA-N -1 0 350.418 -0.147 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@H](CO)[C@H]1CCOC1 ZINC001116891288 842992090 /nfs/dbraw/zinc/99/20/90/842992090.db2.gz GZCUJDJGTYKQHA-DTWKUNHWSA-N -1 0 350.418 -0.147 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@H](CO)[C@H]1CCOC1 ZINC001116891289 842992386 /nfs/dbraw/zinc/99/23/86/842992386.db2.gz GZCUJDJGTYKQHA-IUCAKERBSA-N -1 0 350.418 -0.147 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@H](CO)[C@@H]1CCOC1 ZINC001116891290 842992614 /nfs/dbraw/zinc/99/26/14/842992614.db2.gz GZCUJDJGTYKQHA-RKDXNWHRSA-N -1 0 350.418 -0.147 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cn2)cn1 ZINC001116891521 842992154 /nfs/dbraw/zinc/99/21/54/842992154.db2.gz MORIXFADMOHLKF-UHFFFAOYSA-N -1 0 367.387 -0.046 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC001116894579 842993573 /nfs/dbraw/zinc/99/35/73/842993573.db2.gz NADKUXPPGLBYQM-JTQLQIEISA-N -1 0 367.445 -0.400 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001116894580 842993544 /nfs/dbraw/zinc/99/35/44/842993544.db2.gz NADKUXPPGLBYQM-SNVBAGLBSA-N -1 0 367.445 -0.400 20 0 FBADRM O=C([C@@H]1CC[C@H](C(F)(F)F)NC1=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001116895952 842993107 /nfs/dbraw/zinc/99/31/07/842993107.db2.gz KFNLDTUARILITD-HTQZYQBOSA-N -1 0 362.312 -0.533 20 0 FBADRM O=C([C@H]1CC[C@H](C(F)(F)F)NC1=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001116895953 842993581 /nfs/dbraw/zinc/99/35/81/842993581.db2.gz KFNLDTUARILITD-JGVFFNPUSA-N -1 0 362.312 -0.533 20 0 FBADRM O=C([C@@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001116895954 842993635 /nfs/dbraw/zinc/99/36/35/842993635.db2.gz KFNLDTUARILITD-SFYZADRCSA-N -1 0 362.312 -0.533 20 0 FBADRM O=C([C@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001116895955 842993336 /nfs/dbraw/zinc/99/33/36/842993336.db2.gz KFNLDTUARILITD-YUMQZZPRSA-N -1 0 362.312 -0.533 20 0 FBADRM O=C(CSc1nnnn1C1CC1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001116896231 842993471 /nfs/dbraw/zinc/99/34/71/842993471.db2.gz MVHZJOGNPNRZSO-UHFFFAOYSA-N -1 0 351.396 -0.877 20 0 FBADRM CSCCO[N-]C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC001116898082 842994393 /nfs/dbraw/zinc/99/43/93/842994393.db2.gz CTNSHALPUYZNGH-UHFFFAOYSA-N -1 0 371.419 -0.909 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1nnn(CC(F)(F)F)n1 ZINC001116909236 842996135 /nfs/dbraw/zinc/99/61/35/842996135.db2.gz QCRHLGZGARGNHF-UHFFFAOYSA-N -1 0 358.240 -0.637 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)[C@H](OC)c1cnn(C)c1 ZINC001116914237 842997248 /nfs/dbraw/zinc/99/72/48/842997248.db2.gz UOCQZXLPGOPFTD-SECBINFHSA-N -1 0 374.400 -0.144 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)[C@@H](OC)c1cnn(C)c1 ZINC001116914238 842997259 /nfs/dbraw/zinc/99/72/59/842997259.db2.gz UOCQZXLPGOPFTD-VIFPVBQESA-N -1 0 374.400 -0.144 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)cc1)c1cnn(C)c1 ZINC001116914303 842997162 /nfs/dbraw/zinc/99/71/62/842997162.db2.gz WKRDHUVKROZUHY-GFCCVEGCSA-N -1 0 352.372 -0.288 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)cc1)c1cnn(C)c1 ZINC001116914304 842997170 /nfs/dbraw/zinc/99/71/70/842997170.db2.gz WKRDHUVKROZUHY-LBPRGKRZSA-N -1 0 352.372 -0.288 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)[C@]1(C)CCC(=O)NC1 ZINC001116914467 842996718 /nfs/dbraw/zinc/99/67/18/842996718.db2.gz YSMPPBUEVAMGOG-GFCCVEGCSA-N -1 0 361.401 -0.349 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001116914468 842997264 /nfs/dbraw/zinc/99/72/64/842997264.db2.gz YSMPPBUEVAMGOG-LBPRGKRZSA-N -1 0 361.401 -0.349 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC001116917029 842998028 /nfs/dbraw/zinc/99/80/28/842998028.db2.gz AUMLIEFKTMZUPV-UHFFFAOYSA-N -1 0 366.399 -0.150 20 0 FBADRM Cn1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(-c2ccncc2)n1 ZINC001116918166 842997744 /nfs/dbraw/zinc/99/77/44/842997744.db2.gz UVJMUBUMECCPKM-UHFFFAOYSA-N -1 0 351.388 -0.322 20 0 FBADRM Cc1nn(C)c(Br)c1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001116926397 842999921 /nfs/dbraw/zinc/99/99/21/842999921.db2.gz KYQSTIFHPUBRPT-UHFFFAOYSA-N -1 0 367.225 -0.313 20 0 FBADRM CCn1cc(-c2nn(C)cc2C(=O)NCCC(=O)[N-]S(C)(=O)=O)cn1 ZINC001116928830 842999615 /nfs/dbraw/zinc/99/96/15/842999615.db2.gz XFTZTLYAPFORJK-UHFFFAOYSA-N -1 0 368.419 -0.501 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cncc(OCC(F)F)c1 ZINC001116932096 843000403 /nfs/dbraw/zinc/00/04/03/843000403.db2.gz UOOFPKLIHRDLCZ-UHFFFAOYSA-N -1 0 351.331 -0.079 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CCn2ccnn2)s1 ZINC001116936627 843001490 /nfs/dbraw/zinc/00/14/90/843001490.db2.gz LEPUGIIVUMJLIO-UHFFFAOYSA-N -1 0 357.417 -0.129 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)c2cnn3ccncc23)c(C)nn1C ZINC001116941500 843002060 /nfs/dbraw/zinc/00/20/60/843002060.db2.gz VDIMTJFYVHWBBJ-UHFFFAOYSA-N -1 0 350.360 -0.101 20 0 FBADRM O=C(CCNC(=O)c1s[n-]c(=O)c1Cl)N[C@H]1CCS(=O)(=O)C1 ZINC001116960775 843004894 /nfs/dbraw/zinc/00/48/94/843004894.db2.gz GPNAZBUWRYCMBS-LURJTMIESA-N -1 0 367.836 -0.075 20 0 FBADRM O=C(CCNC(=O)c1s[n-]c(=O)c1Cl)N[C@@H]1CCS(=O)(=O)C1 ZINC001116960776 843004770 /nfs/dbraw/zinc/00/47/70/843004770.db2.gz GPNAZBUWRYCMBS-ZCFIWIBFSA-N -1 0 367.836 -0.075 20 0 FBADRM CS(=O)(=O)Nc1cccc(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)c1 ZINC001116988535 843009689 /nfs/dbraw/zinc/00/96/89/843009689.db2.gz WWACQCNUUIGAFM-GFCCVEGCSA-N -1 0 371.415 -0.241 20 0 FBADRM CS(=O)(=O)Nc1cccc(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)c1 ZINC001116988537 843010003 /nfs/dbraw/zinc/01/00/03/843010003.db2.gz WWACQCNUUIGAFM-LBPRGKRZSA-N -1 0 371.415 -0.241 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 ZINC001116993829 843010528 /nfs/dbraw/zinc/01/05/28/843010528.db2.gz HQNPFLBGFAKMMO-UHFFFAOYSA-N -1 0 359.404 -0.916 20 0 FBADRM CS(=O)(=O)c1cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)ccc1F ZINC001117007209 843013355 /nfs/dbraw/zinc/01/33/55/843013355.db2.gz SEHVHCNDDOBMIA-JTQLQIEISA-N -1 0 355.351 -0.044 20 0 FBADRM CS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)ccc1F ZINC001117007210 843013395 /nfs/dbraw/zinc/01/33/95/843013395.db2.gz SEHVHCNDDOBMIA-SNVBAGLBSA-N -1 0 355.351 -0.044 20 0 FBADRM CS(=O)(=O)c1ccccc1CC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC001117028365 843017793 /nfs/dbraw/zinc/01/77/93/843017793.db2.gz MRKTZUDLPSJFHC-UHFFFAOYSA-N -1 0 355.397 -0.072 20 0 FBADRM COCCOc1ccc(CNC(=O)C(=O)[N-]OC2CCOCC2)cn1 ZINC001117042903 843020807 /nfs/dbraw/zinc/02/08/07/843020807.db2.gz BACHORAAJGUPPW-UHFFFAOYSA-N -1 0 353.375 -0.050 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001117046414 843021550 /nfs/dbraw/zinc/02/15/50/843021550.db2.gz UDLYIYDALSYHCM-UHFFFAOYSA-N -1 0 351.425 -0.999 20 0 FBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001117054334 843024050 /nfs/dbraw/zinc/02/40/50/843024050.db2.gz QNMQJAAUSHOPFZ-UHFFFAOYSA-N -1 0 351.425 -0.953 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NCc1ccc(CS(C)(=O)=O)cc1 ZINC001117071766 843030532 /nfs/dbraw/zinc/03/05/32/843030532.db2.gz UWDUONUIUSDLLU-UHFFFAOYSA-N -1 0 358.416 -0.068 20 0 FBADRM CN(CC(N)=O)C(=O)c1cccc([N-]S(=O)(=O)c2ccn(C)n2)c1 ZINC001117080996 843032929 /nfs/dbraw/zinc/03/29/29/843032929.db2.gz LYHFEZAOTBKEGL-UHFFFAOYSA-N -1 0 351.388 -0.222 20 0 FBADRM CCN(CCCNC(=O)C(=O)[N-]OC1CCOCC1)S(C)(=O)=O ZINC001117087624 843033559 /nfs/dbraw/zinc/03/35/59/843033559.db2.gz CFDPNOKUMIOMTP-UHFFFAOYSA-N -1 0 351.425 -0.999 20 0 FBADRM COC1(C(=O)[N-]S(=O)(=O)c2ncccc2C(=O)N(C)C)CCOCC1 ZINC001117098267 843035371 /nfs/dbraw/zinc/03/53/71/843035371.db2.gz SPRPBDCVIJUQMP-UHFFFAOYSA-N -1 0 371.415 -0.216 20 0 FBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC001117100197 843035554 /nfs/dbraw/zinc/03/55/54/843035554.db2.gz ZEOLXXPJLRMPQU-UHFFFAOYSA-N -1 0 364.376 -0.440 20 0 FBADRM CC(=O)N1CCc2ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc2CC1 ZINC001117102947 843036737 /nfs/dbraw/zinc/03/67/37/843036737.db2.gz QUZCNXASPIMHDN-CQSZACIVSA-N -1 0 356.400 -0.643 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001117112651 843037202 /nfs/dbraw/zinc/03/72/02/843037202.db2.gz NKLZEPCUQQMHCW-JTQLQIEISA-N -1 0 351.425 -0.065 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001117112655 843037023 /nfs/dbraw/zinc/03/70/23/843037023.db2.gz NKLZEPCUQQMHCW-SNVBAGLBSA-N -1 0 351.425 -0.065 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 ZINC001117112863 843036989 /nfs/dbraw/zinc/03/69/89/843036989.db2.gz PHUKSJJHOZRMDQ-GFCCVEGCSA-N -1 0 371.463 -0.102 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 ZINC001117112865 843037513 /nfs/dbraw/zinc/03/75/13/843037513.db2.gz PHUKSJJHOZRMDQ-LBPRGKRZSA-N -1 0 371.463 -0.102 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)CC1 ZINC001117113302 843038549 /nfs/dbraw/zinc/03/85/49/843038549.db2.gz AIINISVXFQGHFU-LLVKDONJSA-N -1 0 368.477 -0.469 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)CC1 ZINC001117113304 843037863 /nfs/dbraw/zinc/03/78/63/843037863.db2.gz AIINISVXFQGHFU-NSHDSACASA-N -1 0 368.477 -0.469 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCN(C)C1=O ZINC001117115357 843038145 /nfs/dbraw/zinc/03/81/45/843038145.db2.gz IKCRVSDRIXCNAQ-SECBINFHSA-N -1 0 355.372 -0.923 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)C1=O ZINC001117115358 843037729 /nfs/dbraw/zinc/03/77/29/843037729.db2.gz IKCRVSDRIXCNAQ-VIFPVBQESA-N -1 0 355.372 -0.923 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC001117123373 843039867 /nfs/dbraw/zinc/03/98/67/843039867.db2.gz WHEVBAIKYHNGEU-LLVKDONJSA-N -1 0 374.440 -0.470 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC001117123375 843040219 /nfs/dbraw/zinc/04/02/19/843040219.db2.gz WHEVBAIKYHNGEU-NSHDSACASA-N -1 0 374.440 -0.470 20 0 FBADRM CC(=O)N1CCc2ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cc2CC1 ZINC001117127569 843040853 /nfs/dbraw/zinc/04/08/53/843040853.db2.gz LSYGNLOLKGXLHT-HNNXBMFYSA-N -1 0 370.427 -0.252 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NCc1cccc(CS(C)(=O)=O)c1 ZINC001117136099 843042577 /nfs/dbraw/zinc/04/25/77/843042577.db2.gz DOHFJRHOVAGUOK-UHFFFAOYSA-N -1 0 358.416 -0.068 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC001117139581 843043474 /nfs/dbraw/zinc/04/34/74/843043474.db2.gz NWDSMSPAIFPEIW-LLVKDONJSA-N -1 0 371.477 -0.159 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC001117139582 843044194 /nfs/dbraw/zinc/04/41/94/843044194.db2.gz NWDSMSPAIFPEIW-NSHDSACASA-N -1 0 371.477 -0.159 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)CC(F)(F)F)S(=O)(=O)C1CCOCC1 ZINC001117139789 837535359 /nfs/dbraw/zinc/53/53/59/837535359.db2.gz RQIJVKQVUNIOKA-SSDOTTSWSA-N -1 0 367.367 -0.023 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)CC(F)(F)F)S(=O)(=O)C1CCOCC1 ZINC001117139794 837534874 /nfs/dbraw/zinc/53/48/74/837534874.db2.gz RQIJVKQVUNIOKA-ZETCQYMHSA-N -1 0 367.367 -0.023 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CS(C)(=O)=O)CC1 ZINC001117142029 843043919 /nfs/dbraw/zinc/04/39/19/843043919.db2.gz BICWRURCUNJDGJ-UHFFFAOYSA-N -1 0 356.422 -0.902 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)Cn1ccccc1=O ZINC001117143255 843044260 /nfs/dbraw/zinc/04/42/60/843044260.db2.gz NCEZMYSGXFDDDW-UHFFFAOYSA-N -1 0 365.367 -0.539 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 ZINC001117143638 843043695 /nfs/dbraw/zinc/04/36/95/843043695.db2.gz RPXLGDMXWJRVFZ-CMPLNLGQSA-N -1 0 372.447 -0.324 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 ZINC001117143639 843045158 /nfs/dbraw/zinc/04/51/58/843045158.db2.gz RPXLGDMXWJRVFZ-JQWIXIFHSA-N -1 0 372.447 -0.324 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 ZINC001117143640 843044822 /nfs/dbraw/zinc/04/48/22/843044822.db2.gz RPXLGDMXWJRVFZ-PWSUYJOCSA-N -1 0 372.447 -0.324 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 ZINC001117143641 843045224 /nfs/dbraw/zinc/04/52/24/843045224.db2.gz RPXLGDMXWJRVFZ-ZYHUDNBSSA-N -1 0 372.447 -0.324 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N1C ZINC001117143967 843044659 /nfs/dbraw/zinc/04/46/59/843044659.db2.gz WOZKPWITVNACAT-VIFPVBQESA-N -1 0 355.372 -0.780 20 0 FBADRM O=C([N-]OCc1ccccc1)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001117183164 843054291 /nfs/dbraw/zinc/05/42/91/843054291.db2.gz ZCXDXGURONBTQH-UHFFFAOYSA-N -1 0 371.415 -0.987 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)c2c[n-]n3c2nccc3=O)[C@H](C)C1 ZINC001117289391 843062597 /nfs/dbraw/zinc/06/25/97/843062597.db2.gz VWHRLOIOFPPDJZ-SNVBAGLBSA-N -1 0 353.404 -0.481 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)CS(C)(=O)=O)c(Br)n1C ZINC001117317292 843070517 /nfs/dbraw/zinc/07/05/17/843070517.db2.gz IDOBRTNFKIHBCH-UHFFFAOYSA-N -1 0 374.238 -0.659 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001117337554 843077612 /nfs/dbraw/zinc/07/76/12/843077612.db2.gz UCBCMETWGHFWGI-UHFFFAOYSA-N -1 0 367.493 -0.978 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)[C@]3(F)CCOC3)cc2n(C)c1=O ZINC001117355687 843082844 /nfs/dbraw/zinc/08/28/44/843082844.db2.gz CFLYKXARZJXSED-AWEZNQCLSA-N -1 0 357.363 -0.190 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)[C@@]3(F)CCOC3)cc2n(C)c1=O ZINC001117355688 843083240 /nfs/dbraw/zinc/08/32/40/843083240.db2.gz CFLYKXARZJXSED-CQSZACIVSA-N -1 0 357.363 -0.190 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC001117391256 843093157 /nfs/dbraw/zinc/09/31/57/843093157.db2.gz NJWFIZKPFPTFBI-UHFFFAOYSA-N -1 0 368.147 -0.136 20 0 FBADRM CCc1cc(=O)n2[n-]c(NS(=O)(=O)c3cnn(CCOC)c3)nc2n1 ZINC001117502487 843112398 /nfs/dbraw/zinc/11/23/98/843112398.db2.gz KROWDZYYBSVYPN-UHFFFAOYSA-N -1 0 367.391 -0.376 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC001117504139 843112661 /nfs/dbraw/zinc/11/26/61/843112661.db2.gz RDDMTFRZACQICI-UHFFFAOYSA-N -1 0 365.477 -0.530 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCCC2 ZINC001117520749 843115370 /nfs/dbraw/zinc/11/53/70/843115370.db2.gz JWQPUMOPWRYIBF-UHFFFAOYSA-N -1 0 368.419 -0.682 20 0 FBADRM CC[C@@H](NC(=O)C(=O)[N-]OCCC(F)(F)F)C(=O)N1CCOCC1 ZINC001117520996 843115363 /nfs/dbraw/zinc/11/53/63/843115363.db2.gz HQBDETYTVLMWNG-SECBINFHSA-N -1 0 355.313 -0.260 20 0 FBADRM CC[C@H](NC(=O)C(=O)[N-]OCCC(F)(F)F)C(=O)N1CCOCC1 ZINC001117520997 843115416 /nfs/dbraw/zinc/11/54/16/843115416.db2.gz HQBDETYTVLMWNG-VIFPVBQESA-N -1 0 355.313 -0.260 20 0 FBADRM CCS(=O)(=O)N1CCC(CNC(=O)C(=O)[N-]OCCSC)CC1 ZINC001117534434 843118106 /nfs/dbraw/zinc/11/81/06/843118106.db2.gz RZHBOKOFXFKZDG-UHFFFAOYSA-N -1 0 367.493 -0.425 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cnc3c(cnn3C)c2)C1=O ZINC001117539576 843119196 /nfs/dbraw/zinc/11/91/96/843119196.db2.gz AIQDFTXXBQJNMN-CYBMUJFWSA-N -1 0 352.376 -0.118 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cnc3c(cnn3C)c2)C1=O ZINC001117539577 843118908 /nfs/dbraw/zinc/11/89/08/843118908.db2.gz AIQDFTXXBQJNMN-ZDUSSCGKSA-N -1 0 352.376 -0.118 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC001117549143 843120859 /nfs/dbraw/zinc/12/08/59/843120859.db2.gz CAHFJFPGIJVIBP-UHFFFAOYSA-N -1 0 356.400 -0.283 20 0 FBADRM O=C([N-]OC1CCCCC1)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC001117565824 843124703 /nfs/dbraw/zinc/12/47/03/843124703.db2.gz VZCJPHDMVRZBLG-UHFFFAOYSA-N -1 0 370.431 -0.143 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NCc1ccccc1CS(C)(=O)=O ZINC001117571080 843126495 /nfs/dbraw/zinc/12/64/95/843126495.db2.gz JUPLTCCWJWYJQS-UHFFFAOYSA-N -1 0 358.416 -0.068 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)[N-]OCCC(F)(F)F)O1 ZINC001117587142 843130447 /nfs/dbraw/zinc/13/04/47/843130447.db2.gz HLSCSOVXRFALQZ-BDAKNGLRSA-N -1 0 355.313 -0.261 20 0 FBADRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)[N-]OCCC(F)(F)F)O1 ZINC001117587144 843130096 /nfs/dbraw/zinc/13/00/96/843130096.db2.gz HLSCSOVXRFALQZ-DTWKUNHWSA-N -1 0 355.313 -0.261 20 0 FBADRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)[N-]OCCC(F)(F)F)O1 ZINC001117587145 843130287 /nfs/dbraw/zinc/13/02/87/843130287.db2.gz HLSCSOVXRFALQZ-IUCAKERBSA-N -1 0 355.313 -0.261 20 0 FBADRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)[N-]OCCC(F)(F)F)O1 ZINC001117587146 843130367 /nfs/dbraw/zinc/13/03/67/843130367.db2.gz HLSCSOVXRFALQZ-RKDXNWHRSA-N -1 0 355.313 -0.261 20 0 FBADRM O=C([N-]OC1CCOCC1)C(=O)NCCNC(=O)c1ccccc1F ZINC001117607975 843136239 /nfs/dbraw/zinc/13/62/39/843136239.db2.gz IXTTTYLUVHRSHL-UHFFFAOYSA-N -1 0 353.350 -0.102 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC001117608115 843136432 /nfs/dbraw/zinc/13/64/32/843136432.db2.gz MQHRERVUQFXOBK-UHFFFAOYSA-N -1 0 365.433 -0.821 20 0 FBADRM O=C(c1ccc(S(=O)(=O)NCc2nc(=O)o[n-]2)cc1)N1CCOCC1 ZINC001117626429 843141702 /nfs/dbraw/zinc/14/17/02/843141702.db2.gz MQZGDWCLSODNGY-UHFFFAOYSA-N -1 0 368.371 -0.686 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001117640350 843144170 /nfs/dbraw/zinc/14/41/70/843144170.db2.gz JSKUMQRMBFRWEP-UHFFFAOYSA-N -1 0 359.404 -0.620 20 0 FBADRM CCS(=O)(=O)CCn1cc(C)c([N-]S(=O)(=O)CCC(=O)OC)n1 ZINC001117647781 843146168 /nfs/dbraw/zinc/14/61/68/843146168.db2.gz VGHCAZWFSAJSHX-UHFFFAOYSA-N -1 0 367.449 -0.069 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)c1 ZINC001117678317 843151089 /nfs/dbraw/zinc/15/10/89/843151089.db2.gz BFCCZHUJFAIYEZ-CYBMUJFWSA-N -1 0 370.427 -0.164 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)c1 ZINC001117678318 843151044 /nfs/dbraw/zinc/15/10/44/843151044.db2.gz BFCCZHUJFAIYEZ-ZDUSSCGKSA-N -1 0 370.427 -0.164 20 0 FBADRM NC(=O)CCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC001117678373 843150798 /nfs/dbraw/zinc/15/07/98/843150798.db2.gz CRHMQFGMMDNSFJ-UHFFFAOYSA-N -1 0 353.400 -0.177 20 0 FBADRM O=C([N-]OC/C=C/Cl)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001117678444 843150943 /nfs/dbraw/zinc/15/09/43/843150943.db2.gz FMRRBTKMRHKGPZ-OWOJBTEDSA-N -1 0 357.798 -0.046 20 0 FBADRM O=C([N-]OC/C=C\Cl)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001117678445 843151146 /nfs/dbraw/zinc/15/11/46/843151146.db2.gz FMRRBTKMRHKGPZ-UPHRSURJSA-N -1 0 357.798 -0.046 20 0 FBADRM Cn1nnc(Br)c1C(=O)[N-]S(=O)(=O)C1CCOCC1 ZINC001117678864 843150954 /nfs/dbraw/zinc/15/09/54/843150954.db2.gz NGLNFRIVHMBUSB-UHFFFAOYSA-N -1 0 353.198 -0.184 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001117679778 843151927 /nfs/dbraw/zinc/15/19/27/843151927.db2.gz FNQDFBYVKHZVEI-SECBINFHSA-N -1 0 355.434 -0.544 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001117679779 843152101 /nfs/dbraw/zinc/15/21/01/843152101.db2.gz FNQDFBYVKHZVEI-VIFPVBQESA-N -1 0 355.434 -0.544 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)Cn1ncc2ccccc2c1=O ZINC001117681099 843151636 /nfs/dbraw/zinc/15/16/36/843151636.db2.gz FLMUPLIODOGKQB-UHFFFAOYSA-N -1 0 361.383 -0.056 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)Cc1cnn(C)c1C ZINC001117681244 843151950 /nfs/dbraw/zinc/15/19/50/843151950.db2.gz HHSJBKVVDZBDMC-UHFFFAOYSA-N -1 0 366.399 -0.116 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)CCc2ccn(C)n2)s1 ZINC001117681736 843152165 /nfs/dbraw/zinc/15/21/65/843152165.db2.gz XSPXMGZZFLGAMN-UHFFFAOYSA-N -1 0 358.405 -0.332 20 0 FBADRM O=C(Cn1cc(NC(=O)C(=O)[N-]OCC2CC2)cn1)N1CCOCC1 ZINC001117716212 843156917 /nfs/dbraw/zinc/15/69/17/843156917.db2.gz VKZNHMBTERIDEK-UHFFFAOYSA-N -1 0 351.363 -0.862 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)C2CCOCC2)nnn1-c1ccn(C)n1 ZINC001117717922 843156984 /nfs/dbraw/zinc/15/69/84/843156984.db2.gz BHUYCAMCZBZFOY-UHFFFAOYSA-N -1 0 354.392 -0.452 20 0 FBADRM CCN(C1CCCCC1)S(=O)(=O)[N-]C(=O)CCn1ncn(C)c1=O ZINC001117718277 843156709 /nfs/dbraw/zinc/15/67/09/843156709.db2.gz OLTCAKPAWJALPV-UHFFFAOYSA-N -1 0 359.452 -0.013 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)CC2)CC1 ZINC001117718891 843156713 /nfs/dbraw/zinc/15/67/13/843156713.db2.gz XNAQUTUROUDJKH-JTQLQIEISA-N -1 0 361.420 -0.851 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)CC2)CC1 ZINC001117718893 843156878 /nfs/dbraw/zinc/15/68/78/843156878.db2.gz XNAQUTUROUDJKH-SNVBAGLBSA-N -1 0 361.420 -0.851 20 0 FBADRM Cn1cnnc1COCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC001117718971 843157006 /nfs/dbraw/zinc/15/70/06/843157006.db2.gz DQVNVUJBOMVJMF-UHFFFAOYSA-N -1 0 352.372 -0.133 20 0 FBADRM Cn1cc(C(=O)CCC(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)cn1 ZINC001117719016 843156847 /nfs/dbraw/zinc/15/68/47/843156847.db2.gz GDJHMZSLWVHLFK-UHFFFAOYSA-N -1 0 367.387 -0.133 20 0 FBADRM COCC1(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)CCOCC1 ZINC001117719024 843157703 /nfs/dbraw/zinc/15/77/03/843157703.db2.gz GMWNLPBTQSJGMQ-UHFFFAOYSA-N -1 0 359.404 -0.086 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)[C@H]1CCNC(=O)CC1 ZINC001117719250 843157560 /nfs/dbraw/zinc/15/75/60/843157560.db2.gz LMQVEEQPCRVUQF-LLVKDONJSA-N -1 0 365.411 -0.306 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)[C@@H]1CCNC(=O)CC1 ZINC001117719251 843157791 /nfs/dbraw/zinc/15/77/91/843157791.db2.gz LMQVEEQPCRVUQF-NSHDSACASA-N -1 0 365.411 -0.306 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)CN1CCCCC1=O ZINC001117719277 843157572 /nfs/dbraw/zinc/15/75/72/843157572.db2.gz MGTVTZRQGQHKFZ-UHFFFAOYSA-N -1 0 361.401 -0.253 20 0 FBADRM Cn1c(=O)c2cc(C(=O)[N-]S(=O)(=O)C(C)(C)C)cnc2n(C)c1=O ZINC001117719712 843157908 /nfs/dbraw/zinc/15/79/08/843157908.db2.gz XZPRVWZMJWVYKF-UHFFFAOYSA-N -1 0 354.388 -0.510 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn2c1OCCC2)[C@H]1CCCCS1(=O)=O ZINC001117719817 843157638 /nfs/dbraw/zinc/15/76/38/843157638.db2.gz ZMPAUBJSYXDQCM-SECBINFHSA-N -1 0 363.417 -0.562 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn2c1OCCC2)[C@@H]1CCCCS1(=O)=O ZINC001117719820 843157660 /nfs/dbraw/zinc/15/76/60/843157660.db2.gz ZMPAUBJSYXDQCM-VIFPVBQESA-N -1 0 363.417 -0.562 20 0 FBADRM O=C(C[C@H]1CCCC(=O)N1)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001117720734 843157642 /nfs/dbraw/zinc/15/76/42/843157642.db2.gz CHNCETMFIKNPAR-GHMZBOCLSA-N -1 0 356.404 -0.292 20 0 FBADRM O=C(C[C@H]1CCCC(=O)N1)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001117720735 843157710 /nfs/dbraw/zinc/15/77/10/843157710.db2.gz CHNCETMFIKNPAR-MNOVXSKESA-N -1 0 356.404 -0.292 20 0 FBADRM O=C(C[C@@H]1CCCC(=O)N1)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001117720736 843157919 /nfs/dbraw/zinc/15/79/19/843157919.db2.gz CHNCETMFIKNPAR-QWRGUYRKSA-N -1 0 356.404 -0.292 20 0 FBADRM O=C(C[C@@H]1CCCC(=O)N1)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001117720737 843157834 /nfs/dbraw/zinc/15/78/34/843157834.db2.gz CHNCETMFIKNPAR-WDEREUQCSA-N -1 0 356.404 -0.292 20 0 FBADRM Cn1cc(Br)c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC001117720947 843157985 /nfs/dbraw/zinc/15/79/85/843157985.db2.gz HOIYIOGUVPHTRH-UHFFFAOYSA-N -1 0 353.198 -0.622 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCCC3)cnn1C ZINC001117721171 843158058 /nfs/dbraw/zinc/15/80/58/843158058.db2.gz DUZHDECHPJHFJM-UHFFFAOYSA-N -1 0 368.419 -0.682 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)CCc1ccn(C)n1 ZINC001117721665 843157653 /nfs/dbraw/zinc/15/76/53/843157653.db2.gz UZHYGANJMLMMOU-UHFFFAOYSA-N -1 0 366.399 -0.035 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001117742345 843161681 /nfs/dbraw/zinc/16/16/81/843161681.db2.gz QXYADOKVXPDGHG-SECBINFHSA-N -1 0 352.438 -0.546 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001117742346 843161982 /nfs/dbraw/zinc/16/19/82/843161982.db2.gz QXYADOKVXPDGHG-VIFPVBQESA-N -1 0 352.438 -0.546 20 0 FBADRM COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)COCc2nncn2C)c1 ZINC001117755014 843162760 /nfs/dbraw/zinc/16/27/60/843162760.db2.gz LPPQRBWGUSCWRD-UHFFFAOYSA-N -1 0 370.387 -0.146 20 0 FBADRM O=C(CCCNC(=O)C1CC1)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC001117759333 843162837 /nfs/dbraw/zinc/16/28/37/843162837.db2.gz OGNRCHQNWPVWPX-UHFFFAOYSA-N -1 0 356.404 -0.223 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O)cc12 ZINC001117759599 843162625 /nfs/dbraw/zinc/16/26/25/843162625.db2.gz VBIQRYWNZSJTAE-UHFFFAOYSA-N -1 0 374.444 -0.094 20 0 FBADRM O=C([C@H]1COCCN1CC(F)(F)F)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001117773714 843163959 /nfs/dbraw/zinc/16/39/59/843163959.db2.gz XGJNDSZAIYZTSB-SECBINFHSA-N -1 0 364.328 -0.727 20 0 FBADRM O=C([C@@H]1COCCN1CC(F)(F)F)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001117773715 843163553 /nfs/dbraw/zinc/16/35/53/843163553.db2.gz XGJNDSZAIYZTSB-VIFPVBQESA-N -1 0 364.328 -0.727 20 0 FBADRM O=C(CSc1nnc2ccccn21)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001117774850 843164020 /nfs/dbraw/zinc/16/40/20/843164020.db2.gz GCLZFVWTCHBWGF-UHFFFAOYSA-N -1 0 360.403 -0.155 20 0 FBADRM C[C@H](C(=O)[O-])[S@](=O)Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC001117802354 843166151 /nfs/dbraw/zinc/16/61/51/843166151.db2.gz VGKVXBYAAFCVDC-CWMRNNLJSA-N -1 0 358.401 -0.212 20 0 FBADRM C[C@H](C(=O)[O-])[S@@](=O)Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC001117802355 843165595 /nfs/dbraw/zinc/16/55/95/843165595.db2.gz VGKVXBYAAFCVDC-PJLCYMMNSA-N -1 0 358.401 -0.212 20 0 FBADRM C[C@@H](C(=O)[O-])[S@](=O)Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC001117802356 843165871 /nfs/dbraw/zinc/16/58/71/843165871.db2.gz VGKVXBYAAFCVDC-QSIZCVBASA-N -1 0 358.401 -0.212 20 0 FBADRM C[C@@H](C(=O)[O-])[S@@](=O)Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC001117802357 843165563 /nfs/dbraw/zinc/16/55/63/843165563.db2.gz VGKVXBYAAFCVDC-ZCAPAMDOSA-N -1 0 358.401 -0.212 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC001117813465 843165721 /nfs/dbraw/zinc/16/57/21/843165721.db2.gz PEZVDOGVZIRUTQ-JTQLQIEISA-N -1 0 374.419 -0.139 20 0 FBADRM CO[C@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC001117986054 843183610 /nfs/dbraw/zinc/18/36/10/843183610.db2.gz GDUZLYUBQYWBQC-CHWSQXEVSA-N -1 0 354.334 -0.059 20 0 FBADRM CO[C@H](CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC001117986055 843183723 /nfs/dbraw/zinc/18/37/23/843183723.db2.gz GDUZLYUBQYWBQC-OLZOCXBDSA-N -1 0 354.334 -0.059 20 0 FBADRM CO[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC001117986056 843183737 /nfs/dbraw/zinc/18/37/37/843183737.db2.gz GDUZLYUBQYWBQC-QWHCGFSZSA-N -1 0 354.334 -0.059 20 0 FBADRM CO[C@@H](CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC001117986057 843183687 /nfs/dbraw/zinc/18/36/87/843183687.db2.gz GDUZLYUBQYWBQC-STQMWFEESA-N -1 0 354.334 -0.059 20 0 FBADRM COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)N(C)C ZINC001117998961 843184842 /nfs/dbraw/zinc/18/48/42/843184842.db2.gz IMQQQCSHHOTGQL-QMMMGPOBSA-N -1 0 353.397 -0.635 20 0 FBADRM CC(C)(CCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC001118077413 843190551 /nfs/dbraw/zinc/19/05/51/843190551.db2.gz WANGCBCHZZIGTF-CYBMUJFWSA-N -1 0 355.435 -0.216 20 0 FBADRM CC(C)(CCNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC001118077416 843190484 /nfs/dbraw/zinc/19/04/84/843190484.db2.gz WANGCBCHZZIGTF-ZDUSSCGKSA-N -1 0 355.435 -0.216 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC001118085664 843190765 /nfs/dbraw/zinc/19/07/65/843190765.db2.gz IPYYFYXHBGTWLT-UHFFFAOYSA-N -1 0 358.439 -0.423 20 0 FBADRM COCC(C)(C)N1CCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001118085922 843190652 /nfs/dbraw/zinc/19/06/52/843190652.db2.gz NPVPTNQNFKYTCQ-UHFFFAOYSA-N -1 0 355.435 -0.121 20 0 FBADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2cnc3c(cnn3C)c2)n1 ZINC001118125411 843196007 /nfs/dbraw/zinc/19/60/07/843196007.db2.gz RMVBCHAXJKUTAO-UHFFFAOYSA-N -1 0 365.375 -0.076 20 0 FBADRM COc1cc(S(=O)(=O)N(C)CCNS(C)(=O)=O)ccc1C(=O)[O-] ZINC001118133758 843197157 /nfs/dbraw/zinc/19/71/57/843197157.db2.gz BFQQFYPNPZPVSG-UHFFFAOYSA-N -1 0 366.417 -0.437 20 0 FBADRM Cc1ccc(S(=O)(=O)N(C)CCNS(C)(=O)=O)c(C(=O)[O-])c1 ZINC001118133782 843197085 /nfs/dbraw/zinc/19/70/85/843197085.db2.gz BYDXMQZSNVMBIH-UHFFFAOYSA-N -1 0 350.418 -0.137 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@@H]2CCOC3(CCOCC3)C2)cn1 ZINC001118134120 843197070 /nfs/dbraw/zinc/19/70/70/843197070.db2.gz IFEAKQFRCRPGPN-LLVKDONJSA-N -1 0 359.404 -0.026 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N[C@H]2CCOC3(CCOCC3)C2)cn1 ZINC001118134121 843197355 /nfs/dbraw/zinc/19/73/55/843197355.db2.gz IFEAKQFRCRPGPN-NSHDSACASA-N -1 0 359.404 -0.026 20 0 FBADRM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC001118134268 843197268 /nfs/dbraw/zinc/19/72/68/843197268.db2.gz MFODHAZVHFJWKN-LLVKDONJSA-N -1 0 354.450 -0.558 20 0 FBADRM O=C([O-])[C@H]1CCCN(S(=O)(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC001118134269 837791664 /nfs/dbraw/zinc/79/16/64/837791664.db2.gz MFODHAZVHFJWKN-NSHDSACASA-N -1 0 354.450 -0.558 20 0 FBADRM O=C([O-])CCN(C[C@@H]1CCCO1)S(=O)(=O)CCCN1CCOCC1 ZINC001118134428 843197188 /nfs/dbraw/zinc/19/71/88/843197188.db2.gz SPROAKHDRATEBS-AWEZNQCLSA-N -1 0 364.464 -0.006 20 0 FBADRM O=C([O-])CCN(C[C@H]1CCCO1)S(=O)(=O)CCCN1CCOCC1 ZINC001118134429 843196955 /nfs/dbraw/zinc/19/69/55/843196955.db2.gz SPROAKHDRATEBS-CQSZACIVSA-N -1 0 364.464 -0.006 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1)C(=O)[O-] ZINC001118147769 843200177 /nfs/dbraw/zinc/20/01/77/843200177.db2.gz JFSDTLCIFZPDDO-CYBMUJFWSA-N -1 0 355.435 -0.216 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1)C(=O)[O-] ZINC001118147770 843200018 /nfs/dbraw/zinc/20/00/18/843200018.db2.gz JFSDTLCIFZPDDO-ZDUSSCGKSA-N -1 0 355.435 -0.216 20 0 FBADRM CC(C)(CCNC(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001118148031 843199836 /nfs/dbraw/zinc/19/98/36/843199836.db2.gz LPDHUZPKYOXIJY-UHFFFAOYSA-N -1 0 363.436 -0.856 20 0 FBADRM CS(=O)(=O)CCCCNC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001118149048 843200014 /nfs/dbraw/zinc/20/00/14/843200014.db2.gz VRLKBKAVVXAJJY-UHFFFAOYSA-N -1 0 356.400 -0.058 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N[C@H]2CCCN(CC(N)=O)C2)c1 ZINC001118155073 843200808 /nfs/dbraw/zinc/20/08/08/843200808.db2.gz DRWKFPQPLIBCAI-FNODVLLQSA-N -1 0 353.444 -0.131 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N[C@H]2CCCN(CC(N)=O)C2)c1 ZINC001118155075 843200580 /nfs/dbraw/zinc/20/05/80/843200580.db2.gz DRWKFPQPLIBCAI-MCFWBGNESA-N -1 0 353.444 -0.131 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N[C@@H]2CCCN(CC(N)=O)C2)c1 ZINC001118155076 843201214 /nfs/dbraw/zinc/20/12/14/843201214.db2.gz DRWKFPQPLIBCAI-OIRASMEMSA-N -1 0 353.444 -0.131 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N[C@@H]2CCCN(CC(N)=O)C2)c1 ZINC001118155077 843200725 /nfs/dbraw/zinc/20/07/25/843200725.db2.gz DRWKFPQPLIBCAI-YYUOZPCZSA-N -1 0 353.444 -0.131 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NC[C@H](O)CN2CCCC2=O)c1 ZINC001118155423 843200975 /nfs/dbraw/zinc/20/09/75/843200975.db2.gz IYVGZDSHGOJMQD-FNODVLLQSA-N -1 0 354.428 -0.098 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NC[C@H](O)CN2CCCC2=O)c1 ZINC001118155424 843201120 /nfs/dbraw/zinc/20/11/20/843201120.db2.gz IYVGZDSHGOJMQD-MCFWBGNESA-N -1 0 354.428 -0.098 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NC[C@@H](O)CN2CCCC2=O)c1 ZINC001118155425 843200966 /nfs/dbraw/zinc/20/09/66/843200966.db2.gz IYVGZDSHGOJMQD-OIRASMEMSA-N -1 0 354.428 -0.098 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NC[C@@H](O)CN2CCCC2=O)c1 ZINC001118155426 843200700 /nfs/dbraw/zinc/20/07/00/843200700.db2.gz IYVGZDSHGOJMQD-YYUOZPCZSA-N -1 0 354.428 -0.098 20 0 FBADRM Cn1nc(C2CC2)nc1CC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC001118172916 843205049 /nfs/dbraw/zinc/20/50/49/843205049.db2.gz SDOOVLYROJAIRF-UHFFFAOYSA-N -1 0 363.399 -0.161 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 ZINC001118176117 843205859 /nfs/dbraw/zinc/20/58/59/843205859.db2.gz ICQDGNRQMJGPCT-GFCCVEGCSA-N -1 0 352.391 -0.245 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 ZINC001118176118 843205423 /nfs/dbraw/zinc/20/54/23/843205423.db2.gz ICQDGNRQMJGPCT-LBPRGKRZSA-N -1 0 352.391 -0.245 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(CNC(C)=O)s2)n1 ZINC001118176962 843205374 /nfs/dbraw/zinc/20/53/74/843205374.db2.gz RCPBTOFDNYPJJC-UHFFFAOYSA-N -1 0 373.416 -0.051 20 0 FBADRM CC(=O)NCCN(C(=O)[C@H]1CC12CCS(=O)(=O)CC2)[C@@H](C)C(=O)[O-] ZINC001118177385 843206210 /nfs/dbraw/zinc/20/62/10/843206210.db2.gz WAJPFMFTWVDUOA-CMPLNLGQSA-N -1 0 360.432 -0.361 20 0 FBADRM CC(=O)NCCN(C(=O)[C@@H]1CC12CCS(=O)(=O)CC2)[C@@H](C)C(=O)[O-] ZINC001118177386 843206496 /nfs/dbraw/zinc/20/64/96/843206496.db2.gz WAJPFMFTWVDUOA-JQWIXIFHSA-N -1 0 360.432 -0.361 20 0 FBADRM CC(=O)NCCN(C(=O)[C@@H]1CC12CCS(=O)(=O)CC2)[C@H](C)C(=O)[O-] ZINC001118177387 843206643 /nfs/dbraw/zinc/20/66/43/843206643.db2.gz WAJPFMFTWVDUOA-PWSUYJOCSA-N -1 0 360.432 -0.361 20 0 FBADRM CC(=O)NCCN(C(=O)[C@H]1CC12CCS(=O)(=O)CC2)[C@H](C)C(=O)[O-] ZINC001118177389 843206413 /nfs/dbraw/zinc/20/64/13/843206413.db2.gz WAJPFMFTWVDUOA-ZYHUDNBSSA-N -1 0 360.432 -0.361 20 0 FBADRM CS(=O)(=O)N1CCC(NC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC001118177439 843206430 /nfs/dbraw/zinc/20/64/30/843206430.db2.gz SBVSYZAALFXCEV-UHFFFAOYSA-N -1 0 369.399 -0.137 20 0 FBADRM CN(C)c1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)ncn1 ZINC001118177458 843206601 /nfs/dbraw/zinc/20/66/01/843206601.db2.gz SLPVLKCFTPZESX-UHFFFAOYSA-N -1 0 351.363 -0.521 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC001118177618 843206131 /nfs/dbraw/zinc/20/61/31/843206131.db2.gz UYRJZZPVKOGILO-JTQLQIEISA-N -1 0 369.399 -0.279 20 0 FBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC001118177619 843206110 /nfs/dbraw/zinc/20/61/10/843206110.db2.gz UYRJZZPVKOGILO-SNVBAGLBSA-N -1 0 369.399 -0.279 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cn1 ZINC001118179208 843206561 /nfs/dbraw/zinc/20/65/61/843206561.db2.gz NKEBCUNFEAFEJZ-VHSXEESVSA-N -1 0 351.363 -0.721 20 0 FBADRM C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001118190925 843209797 /nfs/dbraw/zinc/20/97/97/843209797.db2.gz OZEYEEKCAWJMRW-NEPJUHHUSA-N -1 0 358.391 -0.706 20 0 FBADRM C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001118190926 843209612 /nfs/dbraw/zinc/20/96/12/843209612.db2.gz OZEYEEKCAWJMRW-NWDGAFQWSA-N -1 0 358.391 -0.706 20 0 FBADRM C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001118190927 843210254 /nfs/dbraw/zinc/21/02/54/843210254.db2.gz OZEYEEKCAWJMRW-RYUDHWBXSA-N -1 0 358.391 -0.706 20 0 FBADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001118190928 843209575 /nfs/dbraw/zinc/20/95/75/843209575.db2.gz OZEYEEKCAWJMRW-VXGBXAGGSA-N -1 0 358.391 -0.706 20 0 FBADRM Cc1nn(C)c(C)c1CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001118191092 843209805 /nfs/dbraw/zinc/20/98/05/843209805.db2.gz SRHPURIXWMOHAZ-UHFFFAOYSA-N -1 0 352.391 -0.349 20 0 FBADRM COC[C@@H](NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)[O-] ZINC001118192760 843209602 /nfs/dbraw/zinc/20/96/02/843209602.db2.gz WCWGIUXOTXELEJ-LLVKDONJSA-N -1 0 351.402 -0.391 20 0 FBADRM COC[C@H](NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)[O-] ZINC001118192763 843209971 /nfs/dbraw/zinc/20/99/71/843209971.db2.gz WCWGIUXOTXELEJ-NSHDSACASA-N -1 0 351.402 -0.391 20 0 FBADRM CN(CC(=O)NCC1(C(=O)[O-])CCOCC1)S(=O)(=O)c1cccnc1 ZINC001118194463 843211152 /nfs/dbraw/zinc/21/11/52/843211152.db2.gz QGYXYAQJPONJGQ-UHFFFAOYSA-N -1 0 371.415 -0.300 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cncn2C)C1 ZINC001118195060 843211193 /nfs/dbraw/zinc/21/11/93/843211193.db2.gz DZRDIDQTBMWJQJ-QWRGUYRKSA-N -1 0 353.404 -0.049 20 0 FBADRM CN(C1CCOCC1)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cncn2C)C1 ZINC001118195921 843210811 /nfs/dbraw/zinc/21/08/11/843210811.db2.gz SYDUCENXHXWKIC-STQMWFEESA-N -1 0 372.447 -0.124 20 0 FBADRM COCCn1cc(S(=O)(=O)NCc2c(C)nn(CC(=O)[O-])c2C)cn1 ZINC001118197956 843210880 /nfs/dbraw/zinc/21/08/80/843210880.db2.gz QMMGNLOYEAHSMH-UHFFFAOYSA-N -1 0 371.419 -0.094 20 0 FBADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)CCNS(C)(=O)=O ZINC001118198242 843212148 /nfs/dbraw/zinc/21/21/48/843212148.db2.gz STNVRWBSEULKJU-UHFFFAOYSA-N -1 0 354.406 -0.290 20 0 FBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC001118199498 843212131 /nfs/dbraw/zinc/21/21/31/843212131.db2.gz MIWITBZQJBHYJN-LLVKDONJSA-N -1 0 363.436 -0.552 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC001118199499 843211988 /nfs/dbraw/zinc/21/19/88/843211988.db2.gz MIWITBZQJBHYJN-NSHDSACASA-N -1 0 363.436 -0.552 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001118225120 843217808 /nfs/dbraw/zinc/21/78/08/843217808.db2.gz YMPUAXOIICYQGS-GHMZBOCLSA-N -1 0 373.431 -0.719 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001118225121 843217816 /nfs/dbraw/zinc/21/78/16/843217816.db2.gz YMPUAXOIICYQGS-MNOVXSKESA-N -1 0 373.431 -0.719 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001118225123 843217740 /nfs/dbraw/zinc/21/77/40/843217740.db2.gz YMPUAXOIICYQGS-QWRGUYRKSA-N -1 0 373.431 -0.719 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001118225125 843217399 /nfs/dbraw/zinc/21/73/99/843217399.db2.gz YMPUAXOIICYQGS-WDEREUQCSA-N -1 0 373.431 -0.719 20 0 FBADRM COCC[C@@H](NS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2)C(=O)[O-] ZINC001118229990 843218223 /nfs/dbraw/zinc/21/82/23/843218223.db2.gz KUDYWRAISWEOEX-GFCCVEGCSA-N -1 0 363.413 -0.117 20 0 FBADRM COCC[C@H](NS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2)C(=O)[O-] ZINC001118229992 843218812 /nfs/dbraw/zinc/21/88/12/843218812.db2.gz KUDYWRAISWEOEX-LBPRGKRZSA-N -1 0 363.413 -0.117 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2C(=O)C2CC2)cc1 ZINC001118237695 843219902 /nfs/dbraw/zinc/21/99/02/843219902.db2.gz HXOLLMDFXVBAAQ-ZDUSSCGKSA-N -1 0 365.411 -0.009 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1coc(S(C)(=O)=O)c1 ZINC001118240586 843221000 /nfs/dbraw/zinc/22/10/00/843221000.db2.gz KCVDJVDVKYJWCZ-UHFFFAOYSA-N -1 0 355.390 -0.594 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC3(COC(=O)N3)CC2)CC1 ZINC001118241299 843220701 /nfs/dbraw/zinc/22/07/01/843220701.db2.gz DFINEPPKOMQXAT-UHFFFAOYSA-N -1 0 353.375 -0.199 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@H](CNC(N)=O)C2)CC1 ZINC001118241381 843220946 /nfs/dbraw/zinc/22/09/46/843220946.db2.gz DQNSABIOMKKUOT-LLVKDONJSA-N -1 0 354.407 -0.393 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@H](CNC(N)=O)C2)CC1 ZINC001118241382 843221271 /nfs/dbraw/zinc/22/12/71/843221271.db2.gz DQNSABIOMKKUOT-NSHDSACASA-N -1 0 354.407 -0.393 20 0 FBADRM COc1ncncc1NC(=O)C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC001118241475 843220958 /nfs/dbraw/zinc/22/09/58/843220958.db2.gz GUUOJKALSPIAQZ-UHFFFAOYSA-N -1 0 352.347 -0.094 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC(CS(C)(=O)=O)CC2)CC1 ZINC001118241968 843221107 /nfs/dbraw/zinc/22/11/07/843221107.db2.gz TVAPFRKPFAGILD-UHFFFAOYSA-N -1 0 374.459 -0.017 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccccc1CS(C)(=O)=O ZINC001118245698 843222752 /nfs/dbraw/zinc/22/27/52/843222752.db2.gz HGAZSOFFDUNYBB-UHFFFAOYSA-N -1 0 357.388 -0.646 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC001118245811 843223048 /nfs/dbraw/zinc/22/30/48/843223048.db2.gz HXWASCRFLQYELK-UHFFFAOYSA-N -1 0 350.375 -0.560 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(F)c(S(C)(=O)=O)c1 ZINC001118245833 843222948 /nfs/dbraw/zinc/22/29/48/843222948.db2.gz IRBZPTXSAJEIGO-UHFFFAOYSA-N -1 0 361.351 -0.648 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(C)cc1S(C)(=O)=O ZINC001118246062 843223197 /nfs/dbraw/zinc/22/31/97/843223197.db2.gz MICPJQDAGCYDBV-UHFFFAOYSA-N -1 0 357.388 -0.479 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC001118246412 843223481 /nfs/dbraw/zinc/22/34/81/843223481.db2.gz QXIHKHAAGWWICG-CYBMUJFWSA-N -1 0 350.331 -0.966 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1 ZINC001118246413 843223437 /nfs/dbraw/zinc/22/34/37/843223437.db2.gz QXIHKHAAGWWICG-ZDUSSCGKSA-N -1 0 350.331 -0.966 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3C[C@@H]4C[C@H]3C[S@]4=O)cc-2c(=O)[n-]1 ZINC001118248501 843224043 /nfs/dbraw/zinc/22/40/43/843224043.db2.gz XJFZZLGSWLVEJL-YDHGCHQKSA-N -1 0 356.385 -0.670 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3C[C@@H]4C[C@H]3C[S@@]4=O)cc-2c(=O)[n-]1 ZINC001118248502 843223678 /nfs/dbraw/zinc/22/36/78/843223678.db2.gz XJFZZLGSWLVEJL-ANHGTOLTSA-N -1 0 356.385 -0.670 20 0 FBADRM Cc1n[nH]c(=O)c(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1C ZINC001118254051 843225898 /nfs/dbraw/zinc/22/58/98/843225898.db2.gz BKHMBBYZRUMOHB-PELKAZGASA-N -1 0 350.375 -0.016 20 0 FBADRM Cc1n[nH]c(=O)c(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1C ZINC001118254053 843225663 /nfs/dbraw/zinc/22/56/63/843225663.db2.gz BKHMBBYZRUMOHB-PRHODGIISA-N -1 0 350.375 -0.016 20 0 FBADRM Cc1n[nH]c(=O)c(CNC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1C ZINC001118254054 843225328 /nfs/dbraw/zinc/22/53/28/843225328.db2.gz BKHMBBYZRUMOHB-QPUJVOFHSA-N -1 0 350.375 -0.016 20 0 FBADRM Cc1n[nH]c(=O)c(CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1C ZINC001118254055 843225691 /nfs/dbraw/zinc/22/56/91/843225691.db2.gz BKHMBBYZRUMOHB-UFBFGSQYSA-N -1 0 350.375 -0.016 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)[C@@H](C)N1CCOCC1 ZINC001118254057 843225295 /nfs/dbraw/zinc/22/52/95/843225295.db2.gz BKSORGNBXJUVRE-CHWSQXEVSA-N -1 0 355.435 -0.075 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)[C@H](C)N1CCOCC1 ZINC001118254058 843225680 /nfs/dbraw/zinc/22/56/80/843225680.db2.gz BKSORGNBXJUVRE-OLZOCXBDSA-N -1 0 355.435 -0.075 20 0 FBADRM C[C@H]([C@H](C)NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)N1CCOCC1 ZINC001118254059 843225996 /nfs/dbraw/zinc/22/59/96/843225996.db2.gz BKSORGNBXJUVRE-QWHCGFSZSA-N -1 0 355.435 -0.075 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)[C@H](C)N1CCOCC1 ZINC001118254061 843226431 /nfs/dbraw/zinc/22/64/31/843226431.db2.gz BKSORGNBXJUVRE-STQMWFEESA-N -1 0 355.435 -0.075 20 0 FBADRM C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001118254294 843227060 /nfs/dbraw/zinc/22/70/60/843227060.db2.gz CUGSEKQYEZZQEH-FRRDWIJNSA-N -1 0 355.435 -0.341 20 0 FBADRM C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001118254295 843226631 /nfs/dbraw/zinc/22/66/31/843226631.db2.gz CUGSEKQYEZZQEH-RWMBFGLXSA-N -1 0 355.435 -0.341 20 0 FBADRM C[S@](=O)C1(CNC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)CCC1 ZINC001118254299 843226753 /nfs/dbraw/zinc/22/67/53/843226753.db2.gz DARQOMRGZVPUMQ-DEOSSOPVSA-N -1 0 360.432 -0.599 20 0 FBADRM C[S@@](=O)C1(CNC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)CCC1 ZINC001118254300 843226562 /nfs/dbraw/zinc/22/65/62/843226562.db2.gz DARQOMRGZVPUMQ-XMMPIXPASA-N -1 0 360.432 -0.599 20 0 FBADRM C[C@@H]1CN(CCN(C)C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC001118254445 843226719 /nfs/dbraw/zinc/22/67/19/843226719.db2.gz GAUBDRSBSKJVPG-RFQIPJPRSA-N -1 0 355.435 -0.077 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCOC[C@@H]2CCOC2)CCOCC1 ZINC001118254864 843226905 /nfs/dbraw/zinc/22/69/05/843226905.db2.gz KIFFTWCTXAVTIN-GFCCVEGCSA-N -1 0 358.391 -0.847 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCOC[C@H]2CCOC2)CCOCC1 ZINC001118254865 843226422 /nfs/dbraw/zinc/22/64/22/843226422.db2.gz KIFFTWCTXAVTIN-LBPRGKRZSA-N -1 0 358.391 -0.847 20 0 FBADRM CN(C)c1nc(CNC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)cs1 ZINC001118254926 843226499 /nfs/dbraw/zinc/22/64/99/843226499.db2.gz LVTGYMTUJJAZTM-UHFFFAOYSA-N -1 0 370.431 -0.177 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC001118255204 843226621 /nfs/dbraw/zinc/22/66/21/843226621.db2.gz SNXDYHYJYCIACA-UHFFFAOYSA-N -1 0 355.391 -0.935 20 0 FBADRM CC(C)(CNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)N1CCOCC1 ZINC001118255220 843226953 /nfs/dbraw/zinc/22/69/53/843226953.db2.gz SZYFGXBKBAKACB-UHFFFAOYSA-N -1 0 355.435 -0.073 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@@H]2CCCc3c[nH]nc32)CCOCC1 ZINC001118255681 843226707 /nfs/dbraw/zinc/22/67/07/843226707.db2.gz ZQBBHUXGODNGLH-LLVKDONJSA-N -1 0 350.375 -0.099 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@H]2CCCc3c[nH]nc32)CCOCC1 ZINC001118255682 843226366 /nfs/dbraw/zinc/22/63/66/843226366.db2.gz ZQBBHUXGODNGLH-NSHDSACASA-N -1 0 350.375 -0.099 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001118257401 843227862 /nfs/dbraw/zinc/22/78/62/843227862.db2.gz FLCSRHWYBAIIIX-NOOOWODRSA-N -1 0 358.416 -0.609 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001118257405 843227928 /nfs/dbraw/zinc/22/79/28/843227928.db2.gz FLCSRHWYBAIIIX-RHYQMDGZSA-N -1 0 358.416 -0.609 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001118257407 843228114 /nfs/dbraw/zinc/22/81/14/843228114.db2.gz FLCSRHWYBAIIIX-WISYIIOYSA-N -1 0 358.416 -0.609 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001118257409 843228047 /nfs/dbraw/zinc/22/80/47/843228047.db2.gz FLCSRHWYBAIIIX-WYUUTHIRSA-N -1 0 358.416 -0.609 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)NCC2(C(=O)[O-])CCOCC2)n1 ZINC001118260675 843227819 /nfs/dbraw/zinc/22/78/19/843227819.db2.gz OCACFRYWXNCTKR-UHFFFAOYSA-N -1 0 354.367 -0.631 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)CN3CCCNC3=O)CC2)C1 ZINC001118277009 843231579 /nfs/dbraw/zinc/23/15/79/843231579.db2.gz DSMYWDMZQAARDE-LLVKDONJSA-N -1 0 352.391 -0.674 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)CN3CCCNC3=O)CC2)C1 ZINC001118277010 843232064 /nfs/dbraw/zinc/23/20/64/843232064.db2.gz DSMYWDMZQAARDE-NSHDSACASA-N -1 0 352.391 -0.674 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)[C@]2(C(=O)[O-])CC=CCC2)CC1 ZINC001118278371 843231790 /nfs/dbraw/zinc/23/17/90/843231790.db2.gz ZEXSNIRPTMNLRR-HNNXBMFYSA-N -1 0 359.448 -0.509 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)CC1 ZINC001118278372 843231801 /nfs/dbraw/zinc/23/18/01/843231801.db2.gz ZEXSNIRPTMNLRR-OAHLLOKOSA-N -1 0 359.448 -0.509 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC001118280784 843233025 /nfs/dbraw/zinc/23/30/25/843233025.db2.gz ABNUPKSCRUUUDR-UHFFFAOYSA-N -1 0 371.777 -0.089 20 0 FBADRM C[S@](=O)C1(C(=O)[O-])CCN(c2ncc(S(N)(=O)=O)s2)CC1 ZINC001118283576 837856452 /nfs/dbraw/zinc/85/64/52/837856452.db2.gz BVXRLSJNFDUERC-FQEVSTJZSA-N -1 0 353.447 -0.407 20 0 FBADRM C[S@@](=O)C1(C(=O)[O-])CCN(c2ncc(S(N)(=O)=O)s2)CC1 ZINC001118283581 837856351 /nfs/dbraw/zinc/85/63/51/837856351.db2.gz BVXRLSJNFDUERC-HXUWFJFHSA-N -1 0 353.447 -0.407 20 0 FBADRM Cc1nc(N2CCC(C(=O)[O-])([S@](C)=O)CC2)sc1S(N)(=O)=O ZINC001118285354 843233814 /nfs/dbraw/zinc/23/38/14/843233814.db2.gz UKOSHPXXJGGVLF-NRFANRHFSA-N -1 0 367.474 -0.099 20 0 FBADRM Cc1nc(N2CCC(C(=O)[O-])([S@@](C)=O)CC2)sc1S(N)(=O)=O ZINC001118285360 843233423 /nfs/dbraw/zinc/23/34/23/843233423.db2.gz UKOSHPXXJGGVLF-OAQYLSRUSA-N -1 0 367.474 -0.099 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC1CCN(c2nccs2)CC1 ZINC001118285647 843233660 /nfs/dbraw/zinc/23/36/60/843233660.db2.gz MGOQPYUFSILTNI-UHFFFAOYSA-N -1 0 355.420 -0.588 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C ZINC001118286341 843233730 /nfs/dbraw/zinc/23/37/30/843233730.db2.gz UMCRGTBREPJUBT-LLVKDONJSA-N -1 0 353.379 -0.056 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](c1nc(C2CC2)no1)C(C)C ZINC001118286342 843233524 /nfs/dbraw/zinc/23/35/24/843233524.db2.gz UMCRGTBREPJUBT-NSHDSACASA-N -1 0 353.379 -0.056 20 0 FBADRM NC(=O)C1CCN(c2ncccc2CNC(=O)COCC(=O)[O-])CC1 ZINC001118288949 843234844 /nfs/dbraw/zinc/23/48/44/843234844.db2.gz QRUOHGUPHAWJHR-UHFFFAOYSA-N -1 0 350.375 -0.499 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccccc1CS(C)(=O)=O ZINC001118289031 843234307 /nfs/dbraw/zinc/23/43/07/843234307.db2.gz DHSCIEYLWQUTKO-UHFFFAOYSA-N -1 0 371.415 -0.969 20 0 FBADRM O=C([O-])COCC(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC001118289094 843234728 /nfs/dbraw/zinc/23/47/28/843234728.db2.gz SDCLHUVVBWBHNH-UHFFFAOYSA-N -1 0 355.435 -0.072 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC001118289292 843234574 /nfs/dbraw/zinc/23/45/74/843234574.db2.gz WVFVPNNMHMRGSR-UHFFFAOYSA-N -1 0 356.404 -0.913 20 0 FBADRM CN1CCN(S(=O)(=O)c2cccc(NC(=O)COCC(=O)[O-])c2)CC1 ZINC001118289320 843234501 /nfs/dbraw/zinc/23/45/01/843234501.db2.gz XYJFYNZKHPZWFC-UHFFFAOYSA-N -1 0 371.415 -0.338 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H](C)Oc1ccccc1OC ZINC001118289369 843234711 /nfs/dbraw/zinc/23/47/11/843234711.db2.gz IJDQSEJAIJEQNX-LLVKDONJSA-N -1 0 353.375 -0.237 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H](C)Oc1ccccc1OC ZINC001118289372 843234877 /nfs/dbraw/zinc/23/48/77/843234877.db2.gz IJDQSEJAIJEQNX-NSHDSACASA-N -1 0 353.375 -0.237 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H](C)Oc1cccc(OC)c1 ZINC001118291023 843234805 /nfs/dbraw/zinc/23/48/05/843234805.db2.gz VVVNCGVWDHSEBO-LLVKDONJSA-N -1 0 353.375 -0.237 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H](C)Oc1cccc(OC)c1 ZINC001118291026 843234720 /nfs/dbraw/zinc/23/47/20/843234720.db2.gz VVVNCGVWDHSEBO-NSHDSACASA-N -1 0 353.375 -0.237 20 0 FBADRM COCC1(S(=O)(=O)N[C@H](CCC(=O)[O-])CN2CCOCC2)CC1 ZINC001118294319 843235556 /nfs/dbraw/zinc/23/55/56/843235556.db2.gz BISOZXCXBAPJKT-GFCCVEGCSA-N -1 0 350.437 -0.350 20 0 FBADRM COCC1(S(=O)(=O)N[C@@H](CCC(=O)[O-])CN2CCOCC2)CC1 ZINC001118294325 843235314 /nfs/dbraw/zinc/23/53/14/843235314.db2.gz BISOZXCXBAPJKT-LBPRGKRZSA-N -1 0 350.437 -0.350 20 0 FBADRM COCCN(C(=O)CN1[C@@H](C)CC[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001118294489 843235290 /nfs/dbraw/zinc/23/52/90/843235290.db2.gz CXUURGSXNOBFRU-AVGNSLFASA-N -1 0 362.448 -0.414 20 0 FBADRM COCCN(C(=O)CN1[C@@H](C)CC[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001118294494 843235305 /nfs/dbraw/zinc/23/53/05/843235305.db2.gz CXUURGSXNOBFRU-XQQFMLRXSA-N -1 0 362.448 -0.414 20 0 FBADRM CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC001118295810 843235464 /nfs/dbraw/zinc/23/54/64/843235464.db2.gz YDLQQBQORDFODN-UHFFFAOYSA-N -1 0 369.443 -0.244 20 0 FBADRM C[C@](CO)(CNS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)CC(=O)[O-] ZINC001118295811 843235217 /nfs/dbraw/zinc/23/52/17/843235217.db2.gz YELNVFSSTJLVJA-CMPLNLGQSA-N -1 0 357.450 -0.796 20 0 FBADRM C[C@@](CO)(CNS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)CC(=O)[O-] ZINC001118295813 843235419 /nfs/dbraw/zinc/23/54/19/843235419.db2.gz YELNVFSSTJLVJA-JQWIXIFHSA-N -1 0 357.450 -0.796 20 0 FBADRM C[C@@](CO)(CNS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)CC(=O)[O-] ZINC001118295814 843236241 /nfs/dbraw/zinc/23/62/41/843236241.db2.gz YELNVFSSTJLVJA-PWSUYJOCSA-N -1 0 357.450 -0.796 20 0 FBADRM C[C@](CO)(CNS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)CC(=O)[O-] ZINC001118295818 843236646 /nfs/dbraw/zinc/23/66/46/843236646.db2.gz YELNVFSSTJLVJA-ZYHUDNBSSA-N -1 0 357.450 -0.796 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC001118297712 843236078 /nfs/dbraw/zinc/23/60/78/843236078.db2.gz RFNLLVHNQZNQMP-WDEREUQCSA-N -1 0 357.407 -0.203 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](CC)N(C(C)=O)C[C@H]1CC ZINC001118300765 843238059 /nfs/dbraw/zinc/23/80/59/843238059.db2.gz AZEDMBZEMKHCAM-CHWSQXEVSA-N -1 0 356.423 -0.582 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](CC)N(C(C)=O)C[C@@H]1CC ZINC001118300766 843238389 /nfs/dbraw/zinc/23/83/89/843238389.db2.gz AZEDMBZEMKHCAM-OLZOCXBDSA-N -1 0 356.423 -0.582 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](CC)N(C(C)=O)C[C@H]1CC ZINC001118300767 843238332 /nfs/dbraw/zinc/23/83/32/843238332.db2.gz AZEDMBZEMKHCAM-QWHCGFSZSA-N -1 0 356.423 -0.582 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](CC)N(C(C)=O)C[C@@H]1CC ZINC001118300768 843238016 /nfs/dbraw/zinc/23/80/16/843238016.db2.gz AZEDMBZEMKHCAM-STQMWFEESA-N -1 0 356.423 -0.582 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001118300838 843238356 /nfs/dbraw/zinc/23/83/56/843238356.db2.gz CYTOBEXKKHBGNF-CYBMUJFWSA-N -1 0 353.350 -0.091 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC001118300839 843238292 /nfs/dbraw/zinc/23/82/92/843238292.db2.gz CYTOBEXKKHBGNF-ZDUSSCGKSA-N -1 0 353.350 -0.091 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN([C@H](C)c2nccs2)CC1 ZINC001118300895 843238274 /nfs/dbraw/zinc/23/82/74/843238274.db2.gz FYDZFTYOCHGMKT-LLVKDONJSA-N -1 0 369.447 -0.468 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN([C@@H](C)c2nccs2)CC1 ZINC001118300896 843238136 /nfs/dbraw/zinc/23/81/36/843238136.db2.gz FYDZFTYOCHGMKT-NSHDSACASA-N -1 0 369.447 -0.468 20 0 FBADRM CCCC(=O)NC[C@H]1CCCN(C(=O)C(=O)NCC(=O)[N-]OCC)C1 ZINC001118300911 843237966 /nfs/dbraw/zinc/23/79/66/843237966.db2.gz GUXCTGACBMCHMP-GFCCVEGCSA-N -1 0 356.423 -0.675 20 0 FBADRM CCCC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCC(=O)[N-]OCC)C1 ZINC001118300912 843238005 /nfs/dbraw/zinc/23/80/05/843238005.db2.gz GUXCTGACBMCHMP-LBPRGKRZSA-N -1 0 356.423 -0.675 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC001118301011 843238407 /nfs/dbraw/zinc/23/84/07/843238407.db2.gz JNDGJKKYVDGBFZ-LLVKDONJSA-N -1 0 351.359 -0.531 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC001118301012 843237954 /nfs/dbraw/zinc/23/79/54/843237954.db2.gz JNDGJKKYVDGBFZ-NSHDSACASA-N -1 0 351.359 -0.531 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(n2cc(Cl)cn2)CC1 ZINC001118301013 843238097 /nfs/dbraw/zinc/23/80/97/843238097.db2.gz JNDVDXOZPCPJOW-UHFFFAOYSA-N -1 0 357.798 -0.116 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(CCNC(C)=O)Cc1ccsc1 ZINC001118301140 843237848 /nfs/dbraw/zinc/23/78/48/843237848.db2.gz KIKODCDEJPYUNI-UHFFFAOYSA-N -1 0 370.431 -0.603 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001118301161 843238210 /nfs/dbraw/zinc/23/82/10/843238210.db2.gz LAMXBMHHBSRYNW-UHFFFAOYSA-N -1 0 371.415 -0.768 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(C(=O)OCC(C)C)CC1 ZINC001118301218 843238310 /nfs/dbraw/zinc/23/83/10/843238310.db2.gz NEJMLSVPCRDZCN-UHFFFAOYSA-N -1 0 358.395 -0.893 20 0 FBADRM CCCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCC(=O)[N-]OCC)C1 ZINC001118301526 843238366 /nfs/dbraw/zinc/23/83/66/843238366.db2.gz QAXAMBJCQBXQCQ-GFCCVEGCSA-N -1 0 356.423 -0.675 20 0 FBADRM CCCCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCC(=O)[N-]OCC)C1 ZINC001118301527 843237822 /nfs/dbraw/zinc/23/78/22/843237822.db2.gz QAXAMBJCQBXQCQ-LBPRGKRZSA-N -1 0 356.423 -0.675 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1ncc(C)c(OC)c1C ZINC001118301748 843238028 /nfs/dbraw/zinc/23/80/28/843238028.db2.gz SXZKLGXLWMEHHL-UHFFFAOYSA-N -1 0 352.391 -0.151 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC001118301753 843238266 /nfs/dbraw/zinc/23/82/66/843238266.db2.gz SYFSJXZSDYQWFQ-CYBMUJFWSA-N -1 0 353.375 -0.029 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC001118301754 843237862 /nfs/dbraw/zinc/23/78/62/843237862.db2.gz SYFSJXZSDYQWFQ-ZDUSSCGKSA-N -1 0 353.375 -0.029 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(N(C)C(=O)OCC)CC1 ZINC001118301784 843238397 /nfs/dbraw/zinc/23/83/97/843238397.db2.gz UIXQIIQEOBENIE-UHFFFAOYSA-N -1 0 358.395 -0.750 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001118301950 843238248 /nfs/dbraw/zinc/23/82/48/843238248.db2.gz WZPRLLXYCAEFTO-UHFFFAOYSA-N -1 0 358.395 -0.750 20 0 FBADRM CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C ZINC001118303070 843237909 /nfs/dbraw/zinc/23/79/09/843237909.db2.gz FHQJXWRNBIAUGI-UHFFFAOYSA-N -1 0 370.431 -0.249 20 0 FBADRM O=c1nc(CCNS(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)[n-]o1 ZINC001118307281 843240032 /nfs/dbraw/zinc/24/00/32/843240032.db2.gz BBYDNJDGJIBIPU-UHFFFAOYSA-N -1 0 359.385 -0.688 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(NC(C)=O)c(OC)c1 ZINC001118313472 843242143 /nfs/dbraw/zinc/24/21/43/843242143.db2.gz MZATUSUTXMRIIA-UHFFFAOYSA-N -1 0 352.347 -0.224 20 0 FBADRM O=C(CCN1C(=O)CCNC1=S)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001118314010 843242098 /nfs/dbraw/zinc/24/20/98/843242098.db2.gz KKWGOLAPPSPMSE-SECBINFHSA-N -1 0 352.420 -0.287 20 0 FBADRM O=C(CCN1C(=O)CCNC1=S)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001118314014 843241971 /nfs/dbraw/zinc/24/19/71/843241971.db2.gz KKWGOLAPPSPMSE-VIFPVBQESA-N -1 0 352.420 -0.287 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)[N-]S(=O)(=O)c2cnccn2)CC1 ZINC001118314454 843242228 /nfs/dbraw/zinc/24/22/28/843242228.db2.gz QGRYFVWVWDJGRC-UHFFFAOYSA-N -1 0 362.433 -0.657 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)c2cn(C3CCOCC3)nn2)cn1 ZINC001118314461 843241868 /nfs/dbraw/zinc/24/18/68/843241868.db2.gz QJEVQQOEYCLMSQ-UHFFFAOYSA-N -1 0 354.392 -0.377 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)c2c(Br)nnn2C)cn1 ZINC001118314730 843242781 /nfs/dbraw/zinc/24/27/81/843242781.db2.gz XOUARTNZKNYABD-UHFFFAOYSA-N -1 0 363.197 -0.429 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)C1 ZINC001118322390 843244392 /nfs/dbraw/zinc/24/43/92/843244392.db2.gz CTVAEPMZXIVNBO-CMPLNLGQSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)C1 ZINC001118322391 843244699 /nfs/dbraw/zinc/24/46/99/843244699.db2.gz CTVAEPMZXIVNBO-JQWIXIFHSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)C1 ZINC001118322392 843244375 /nfs/dbraw/zinc/24/43/75/843244375.db2.gz CTVAEPMZXIVNBO-PWSUYJOCSA-N -1 0 358.416 -0.512 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)C1 ZINC001118322393 843244273 /nfs/dbraw/zinc/24/42/73/843244273.db2.gz CTVAEPMZXIVNBO-ZYHUDNBSSA-N -1 0 358.416 -0.512 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1)C(=O)[O-] ZINC001118326483 843245618 /nfs/dbraw/zinc/24/56/18/843245618.db2.gz VBEHWGBWUSHVAH-MRVPVSSYSA-N -1 0 367.324 -0.260 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1)C(=O)[O-] ZINC001118326490 843245203 /nfs/dbraw/zinc/24/52/03/843245203.db2.gz VBEHWGBWUSHVAH-QMMMGPOBSA-N -1 0 367.324 -0.260 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)N3CCCCO3)CC2)C1 ZINC001118330779 843246429 /nfs/dbraw/zinc/24/64/29/843246429.db2.gz ZCNASDSQKLFFEL-LLVKDONJSA-N -1 0 353.375 -0.536 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C(=O)N3CCCCO3)CC2)C1 ZINC001118330780 843246325 /nfs/dbraw/zinc/24/63/25/843246325.db2.gz ZCNASDSQKLFFEL-NSHDSACASA-N -1 0 353.375 -0.536 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001118336218 843248333 /nfs/dbraw/zinc/24/83/33/843248333.db2.gz GSYSGZAEODWPRN-UHFFFAOYSA-N -1 0 371.419 -0.579 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCNC(=O)c1ccccc1Cl ZINC001118343008 843249682 /nfs/dbraw/zinc/24/96/82/843249682.db2.gz LNVBYFWORBRNNQ-UHFFFAOYSA-N -1 0 370.793 -0.630 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC001118343452 843249124 /nfs/dbraw/zinc/24/91/24/843249124.db2.gz PUBBSWCQUZHKAC-RYUDHWBXSA-N -1 0 358.439 -0.826 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001118343453 843249158 /nfs/dbraw/zinc/24/91/58/843249158.db2.gz PUBBSWCQUZHKAC-TXEJJXNPSA-N -1 0 358.439 -0.826 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001118343454 843249388 /nfs/dbraw/zinc/24/93/88/843249388.db2.gz PUBBSWCQUZHKAC-VXGBXAGGSA-N -1 0 358.439 -0.826 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001118348025 843250344 /nfs/dbraw/zinc/25/03/44/843250344.db2.gz IQCHCYRQVLZJHD-AWEZNQCLSA-N -1 0 350.419 -0.102 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001118348026 843251065 /nfs/dbraw/zinc/25/10/65/843251065.db2.gz IQCHCYRQVLZJHD-CQSZACIVSA-N -1 0 350.419 -0.102 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NC2(C)CC2)nn1C ZINC001118348240 843250416 /nfs/dbraw/zinc/25/04/16/843250416.db2.gz DQGCXZSXDUURQH-UHFFFAOYSA-N -1 0 351.454 -0.273 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCCN(C)c1ccccc1F ZINC001118349555 843251914 /nfs/dbraw/zinc/25/19/14/843251914.db2.gz WSLORNDSMZWYQE-UHFFFAOYSA-N -1 0 354.382 -0.048 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC001118351001 843251576 /nfs/dbraw/zinc/25/15/76/843251576.db2.gz MBZOGVMSAPEKMF-SECBINFHSA-N -1 0 354.329 -0.829 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC001118351002 843251644 /nfs/dbraw/zinc/25/16/44/843251644.db2.gz MBZOGVMSAPEKMF-VIFPVBQESA-N -1 0 354.329 -0.829 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCNC(=O)c1ccc(C)cc1 ZINC001118352730 843252685 /nfs/dbraw/zinc/25/26/85/843252685.db2.gz KJMWOIPTUJVFKH-UHFFFAOYSA-N -1 0 350.375 -0.975 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC001118359904 843253553 /nfs/dbraw/zinc/25/35/53/843253553.db2.gz XPPJWNSSFLRXBG-LLVKDONJSA-N -1 0 354.407 -0.780 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC001118359905 843253740 /nfs/dbraw/zinc/25/37/40/843253740.db2.gz XPPJWNSSFLRXBG-NSHDSACASA-N -1 0 354.407 -0.780 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCN1CCOCC1 ZINC001118362251 843253809 /nfs/dbraw/zinc/25/38/09/843253809.db2.gz JBLDMDYEGUYLLS-AWEZNQCLSA-N -1 0 350.437 -0.396 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCN1CCOCC1 ZINC001118362252 843254271 /nfs/dbraw/zinc/25/42/71/843254271.db2.gz JBLDMDYEGUYLLS-CQSZACIVSA-N -1 0 350.437 -0.396 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCN(CC(F)(F)F)CC1 ZINC001118364007 843254996 /nfs/dbraw/zinc/25/49/96/843254996.db2.gz JEXJHEJWFMNQEY-UHFFFAOYSA-N -1 0 354.329 -0.733 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001118364662 843254908 /nfs/dbraw/zinc/25/49/08/843254908.db2.gz RAVFAIJUVXGEDI-CYBMUJFWSA-N -1 0 353.350 -0.091 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001118364663 843254681 /nfs/dbraw/zinc/25/46/81/843254681.db2.gz RAVFAIJUVXGEDI-ZDUSSCGKSA-N -1 0 353.350 -0.091 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(Cc1ccccc1)C[C@@H](O)CC ZINC001118364889 843254867 /nfs/dbraw/zinc/25/48/67/843254867.db2.gz CCVVYRZWOSPEIV-AWEZNQCLSA-N -1 0 351.403 -0.030 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(Cc1ccccc1)C[C@H](O)CC ZINC001118364890 843254548 /nfs/dbraw/zinc/25/45/48/843254548.db2.gz CCVVYRZWOSPEIV-CQSZACIVSA-N -1 0 351.403 -0.030 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1ccc2c(c1)OCCO2 ZINC001118365186 843255031 /nfs/dbraw/zinc/25/50/31/843255031.db2.gz VMZDPJYHJQTWAF-UHFFFAOYSA-N -1 0 351.359 -0.400 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)CCOc1ccccc1OC ZINC001118365413 843254447 /nfs/dbraw/zinc/25/44/47/843254447.db2.gz JVBGIJVUCWZGEK-UHFFFAOYSA-N -1 0 353.375 -0.284 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC001118365876 843254536 /nfs/dbraw/zinc/25/45/36/843254536.db2.gz NEEVQLHGRAUBQR-LLVKDONJSA-N -1 0 357.407 -0.392 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC001118365877 843254639 /nfs/dbraw/zinc/25/46/39/843254639.db2.gz NEEVQLHGRAUBQR-NSHDSACASA-N -1 0 357.407 -0.392 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCCc2c1ccc(=O)n2C ZINC001118366041 843254487 /nfs/dbraw/zinc/25/44/87/843254487.db2.gz PHMZHUNLLWLPOZ-LLVKDONJSA-N -1 0 350.375 -0.937 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCCc2c1ccc(=O)n2C ZINC001118366044 843254819 /nfs/dbraw/zinc/25/48/19/843254819.db2.gz PHMZHUNLLWLPOZ-NSHDSACASA-N -1 0 350.375 -0.937 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(CC(F)F)[C@@H](CC)C1 ZINC001118366462 843255662 /nfs/dbraw/zinc/25/56/62/843255662.db2.gz VEGRANYMOKRTMP-JTQLQIEISA-N -1 0 350.366 -0.642 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(CC(F)F)[C@H](CC)C1 ZINC001118366463 843256099 /nfs/dbraw/zinc/25/60/99/843256099.db2.gz VEGRANYMOKRTMP-SNVBAGLBSA-N -1 0 350.366 -0.642 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001118368332 843255315 /nfs/dbraw/zinc/25/53/15/843255315.db2.gz JRYJBKDHQFAZEG-LLVKDONJSA-N -1 0 350.418 -0.569 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001118368333 843255952 /nfs/dbraw/zinc/25/59/52/843255952.db2.gz JRYJBKDHQFAZEG-NSHDSACASA-N -1 0 350.418 -0.569 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)s1 ZINC001118375862 843256698 /nfs/dbraw/zinc/25/66/98/843256698.db2.gz ANWFECFHPRIVOQ-PSASIEDQSA-N -1 0 363.417 -0.052 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)s1 ZINC001118375865 843256447 /nfs/dbraw/zinc/25/64/47/843256447.db2.gz ANWFECFHPRIVOQ-SCZZXKLOSA-N -1 0 363.417 -0.052 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)s1 ZINC001118375867 843256833 /nfs/dbraw/zinc/25/68/33/843256833.db2.gz ANWFECFHPRIVOQ-WCBMZHEXSA-N -1 0 363.417 -0.052 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)s1 ZINC001118375869 843256495 /nfs/dbraw/zinc/25/64/95/843256495.db2.gz ANWFECFHPRIVOQ-WPRPVWTQSA-N -1 0 363.417 -0.052 20 0 FBADRM CC(=O)N1CCc2sc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc2C1 ZINC001118376299 843256404 /nfs/dbraw/zinc/25/64/04/843256404.db2.gz IVNMNDUFNUATCK-KRTXAFLBSA-N -1 0 362.429 -0.235 20 0 FBADRM CC(=O)N1CCc2ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc2CC1 ZINC001118376302 843256506 /nfs/dbraw/zinc/25/65/06/843256506.db2.gz JAIVCAPUHGKBJE-CQSZACIVSA-N -1 0 356.400 -0.643 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)CC1 ZINC001118376434 843256855 /nfs/dbraw/zinc/25/68/55/843256855.db2.gz KGFYEBCQUFAQBD-NEPJUHHUSA-N -1 0 364.420 -0.726 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)CC1 ZINC001118376435 843256583 /nfs/dbraw/zinc/25/65/83/843256583.db2.gz KGFYEBCQUFAQBD-NWDGAFQWSA-N -1 0 364.420 -0.726 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)CC1 ZINC001118376436 843256421 /nfs/dbraw/zinc/25/64/21/843256421.db2.gz KGFYEBCQUFAQBD-RYUDHWBXSA-N -1 0 364.420 -0.726 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)CC1 ZINC001118376437 843257048 /nfs/dbraw/zinc/25/70/48/843257048.db2.gz KGFYEBCQUFAQBD-VXGBXAGGSA-N -1 0 364.420 -0.726 20 0 FBADRM O=C([O-])C1(NC(=O)NCCO[C@@H]2CC2(F)F)CCS(=O)(=O)CC1 ZINC001118379345 843256927 /nfs/dbraw/zinc/25/69/27/843256927.db2.gz JYIVMNXDLCEBGJ-MRVPVSSYSA-N -1 0 356.347 -0.258 20 0 FBADRM O=C([O-])C1(NC(=O)NCCO[C@H]2CC2(F)F)CCS(=O)(=O)CC1 ZINC001118379347 843256719 /nfs/dbraw/zinc/25/67/19/843256719.db2.gz JYIVMNXDLCEBGJ-QMMMGPOBSA-N -1 0 356.347 -0.258 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])CC1 ZINC001118384167 843259148 /nfs/dbraw/zinc/25/91/48/843259148.db2.gz HQKYLJFPJGCLGL-CYBMUJFWSA-N -1 0 355.416 -0.135 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])CC1 ZINC001118384168 843258659 /nfs/dbraw/zinc/25/86/59/843258659.db2.gz HQKYLJFPJGCLGL-ZDUSSCGKSA-N -1 0 355.416 -0.135 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)C(=O)[O-] ZINC001118388516 843259429 /nfs/dbraw/zinc/25/94/29/843259429.db2.gz BJNPPJYXIJNNQN-JTQLQIEISA-N -1 0 353.379 -0.617 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)C(=O)[O-] ZINC001118388518 843259509 /nfs/dbraw/zinc/25/95/09/843259509.db2.gz BJNPPJYXIJNNQN-SNVBAGLBSA-N -1 0 353.379 -0.617 20 0 FBADRM C[C@@H](NC(=O)C(=O)NCC(=O)N1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001118388678 843259825 /nfs/dbraw/zinc/25/98/25/843259825.db2.gz DOXAONIEYHBSQP-GRYCIOLGSA-N -1 0 353.419 -0.023 20 0 FBADRM C[C@H](NC(=O)C(=O)NCC(=O)N1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001118388680 843259756 /nfs/dbraw/zinc/25/97/56/843259756.db2.gz DOXAONIEYHBSQP-SDDRHHMPSA-N -1 0 353.419 -0.023 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1)C(=O)[O-] ZINC001118389087 843259971 /nfs/dbraw/zinc/25/99/71/843259971.db2.gz JMOQUAIKUGZPKO-AAEUAGOBSA-N -1 0 351.407 -0.412 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1)C(=O)[O-] ZINC001118389088 843259817 /nfs/dbraw/zinc/25/98/17/843259817.db2.gz JMOQUAIKUGZPKO-DGCLKSJQSA-N -1 0 351.407 -0.412 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1)C(=O)[O-] ZINC001118389089 843259449 /nfs/dbraw/zinc/25/94/49/843259449.db2.gz JMOQUAIKUGZPKO-WCQYABFASA-N -1 0 351.407 -0.412 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1)C(=O)[O-] ZINC001118389090 843260138 /nfs/dbraw/zinc/26/01/38/843260138.db2.gz JMOQUAIKUGZPKO-YPMHNXCESA-N -1 0 351.407 -0.412 20 0 FBADRM C[C@H](CNC(=O)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1)C(=O)[O-] ZINC001118389970 843259809 /nfs/dbraw/zinc/25/98/09/843259809.db2.gz QFWVXLBRVQCSNH-MRVPVSSYSA-N -1 0 367.324 -0.117 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1)C(=O)[O-] ZINC001118389972 843259436 /nfs/dbraw/zinc/25/94/36/843259436.db2.gz QFWVXLBRVQCSNH-QMMMGPOBSA-N -1 0 367.324 -0.117 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)NC2(C)CC2)nnn1C ZINC001118411291 843262439 /nfs/dbraw/zinc/26/24/39/843262439.db2.gz ZCIWLZYDLSPSOP-UHFFFAOYSA-N -1 0 351.454 -0.273 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(N(CC)C(C)=O)nc1 ZINC001118428473 843264935 /nfs/dbraw/zinc/26/49/35/843264935.db2.gz TXMYVCAXBRLSKK-UHFFFAOYSA-N -1 0 351.363 -0.423 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](CO)[C@@H]1CCCOC1 ZINC001118442298 838041165 /nfs/dbraw/zinc/04/11/65/838041165.db2.gz YSDFEOXMHSYTFG-BDAKNGLRSA-N -1 0 350.418 -0.005 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](CO)[C@H]1CCCOC1 ZINC001118442299 838040628 /nfs/dbraw/zinc/04/06/28/838040628.db2.gz YSDFEOXMHSYTFG-DTWKUNHWSA-N -1 0 350.418 -0.005 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](CO)[C@H]1CCCOC1 ZINC001118442300 838041280 /nfs/dbraw/zinc/04/12/80/838041280.db2.gz YSDFEOXMHSYTFG-IUCAKERBSA-N -1 0 350.418 -0.005 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](CO)[C@@H]1CCCOC1 ZINC001118442301 838041432 /nfs/dbraw/zinc/04/14/32/838041432.db2.gz YSDFEOXMHSYTFG-RKDXNWHRSA-N -1 0 350.418 -0.005 20 0 FBADRM COCCNC(=O)Cn1cc(NC(=O)C(=O)[N-]OCC2CCC2)cn1 ZINC001118477000 843274634 /nfs/dbraw/zinc/27/46/34/843274634.db2.gz FGMWZSCSTAVMIO-UHFFFAOYSA-N -1 0 353.379 -0.568 20 0 FBADRM CCN(C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)[C@@H]1CCNC1=O ZINC001118480551 843275093 /nfs/dbraw/zinc/27/50/93/843275093.db2.gz GRDUTDBLYSUDLQ-SECBINFHSA-N -1 0 351.363 -0.622 20 0 FBADRM CCN(C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)[C@H]1CCNC1=O ZINC001118480552 843275074 /nfs/dbraw/zinc/27/50/74/843275074.db2.gz GRDUTDBLYSUDLQ-VIFPVBQESA-N -1 0 351.363 -0.622 20 0 FBADRM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCc2cn(C)nn2)cc1 ZINC001118480683 843275555 /nfs/dbraw/zinc/27/55/55/843275555.db2.gz KPRGMYNQSOMIIG-UHFFFAOYSA-N -1 0 365.415 -0.045 20 0 FBADRM Cn1cc(CCC(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)nn1 ZINC001118480741 843275911 /nfs/dbraw/zinc/27/59/11/843275911.db2.gz MWZHBACOZYQMTO-UHFFFAOYSA-N -1 0 363.399 -0.461 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1)[C@@H]1CCOC1 ZINC001118480808 843275981 /nfs/dbraw/zinc/27/59/81/843275981.db2.gz PNQKVYPDVUQVGZ-HTQZYQBOSA-N -1 0 364.405 -0.647 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1)[C@H]1CCOC1 ZINC001118480809 843275935 /nfs/dbraw/zinc/27/59/35/843275935.db2.gz PNQKVYPDVUQVGZ-JGVFFNPUSA-N -1 0 364.405 -0.647 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1)[C@@H]1CCOC1 ZINC001118480810 843275651 /nfs/dbraw/zinc/27/56/51/843275651.db2.gz PNQKVYPDVUQVGZ-SFYZADRCSA-N -1 0 364.405 -0.647 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1)[C@H]1CCOC1 ZINC001118480811 843275439 /nfs/dbraw/zinc/27/54/39/843275439.db2.gz PNQKVYPDVUQVGZ-YUMQZZPRSA-N -1 0 364.405 -0.647 20 0 FBADRM O=C(CC1(n2cnnn2)CCOCC1)[N-]S(=O)(=O)Cc1cccnc1 ZINC001118480829 843275566 /nfs/dbraw/zinc/27/55/66/843275566.db2.gz QBEDSJAUSHYIKC-UHFFFAOYSA-N -1 0 366.403 -0.390 20 0 FBADRM CCN(CCS(C)(=O)=O)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001118480897 843275718 /nfs/dbraw/zinc/27/57/18/843275718.db2.gz SMWAFONKLSRPMK-UHFFFAOYSA-N -1 0 374.419 -0.466 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NCCC2(C)OCCO2)n1 ZINC001118480917 843275624 /nfs/dbraw/zinc/27/56/24/843275624.db2.gz SYANXHHPGBXNGY-UHFFFAOYSA-N -1 0 354.363 -0.089 20 0 FBADRM CSC[C@@](C)(O)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001118480926 843275392 /nfs/dbraw/zinc/27/53/92/843275392.db2.gz TZJURRPSXSKPCA-AWEZNQCLSA-N -1 0 358.420 -0.129 20 0 FBADRM CSC[C@](C)(O)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001118480927 843275600 /nfs/dbraw/zinc/27/56/00/843275600.db2.gz TZJURRPSXSKPCA-CQSZACIVSA-N -1 0 358.420 -0.129 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NC[C@@]2(O)CCSC2)n1 ZINC001118480967 843275659 /nfs/dbraw/zinc/27/56/59/843275659.db2.gz UYDPLURNJRYEMP-AWEZNQCLSA-N -1 0 356.404 -0.375 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NC[C@]2(O)CCSC2)n1 ZINC001118480968 843275747 /nfs/dbraw/zinc/27/57/47/843275747.db2.gz UYDPLURNJRYEMP-CQSZACIVSA-N -1 0 356.404 -0.375 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC001118481103 843276122 /nfs/dbraw/zinc/27/61/22/843276122.db2.gz VUVCEVVLZPEMIY-UONOGXRCSA-N -1 0 370.431 -0.317 20 0 FBADRM C[C@H](C[S@](C)=O)N(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001118481294 843275491 /nfs/dbraw/zinc/27/54/91/843275491.db2.gz YPZGLKCCQLVJCP-ITSYKEIMSA-N -1 0 358.420 -0.133 20 0 FBADRM C[C@H](C[S@@](C)=O)N(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001118481295 843275612 /nfs/dbraw/zinc/27/56/12/843275612.db2.gz YPZGLKCCQLVJCP-MXUQEVIESA-N -1 0 358.420 -0.133 20 0 FBADRM C[C@@H](C[S@@](C)=O)N(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001118481296 843275670 /nfs/dbraw/zinc/27/56/70/843275670.db2.gz YPZGLKCCQLVJCP-UZKFNYRNSA-N -1 0 358.420 -0.133 20 0 FBADRM C[C@@H](C[S@](C)=O)N(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001118481297 843275691 /nfs/dbraw/zinc/27/56/91/843275691.db2.gz YPZGLKCCQLVJCP-VHMAXNEBSA-N -1 0 358.420 -0.133 20 0 FBADRM CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1 ZINC001118481990 843275681 /nfs/dbraw/zinc/27/56/81/843275681.db2.gz CIKOYUJMZSWPFQ-UHFFFAOYSA-N -1 0 363.436 -0.030 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)CCc2cn(C)nn2)s1 ZINC001118482255 843275632 /nfs/dbraw/zinc/27/56/32/843275632.db2.gz DYKOQPJXIDDWHQ-UHFFFAOYSA-N -1 0 358.405 -0.332 20 0 FBADRM CCOc1cnc(C(=O)[N-]S(=O)(=O)C2CCN(C(C)=O)CC2)cn1 ZINC001118482291 843276109 /nfs/dbraw/zinc/27/61/09/843276109.db2.gz FGQLLOMQEPUFJQ-UHFFFAOYSA-N -1 0 356.404 -0.054 20 0 FBADRM COCCn1ccc(C(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC001118482297 843275699 /nfs/dbraw/zinc/27/56/99/843275699.db2.gz FLDWVUKREQRNBU-UHFFFAOYSA-N -1 0 352.391 -0.075 20 0 FBADRM O=C(CC1(n2cnnn2)CCOCC1)[N-]S(=O)(=O)Cc1ccccn1 ZINC001118482345 843275529 /nfs/dbraw/zinc/27/55/29/843275529.db2.gz GTZMGRVELLZOMC-UHFFFAOYSA-N -1 0 366.403 -0.390 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2)[C@H]1[C@@H]2COC[C@@H]21 ZINC001118482999 843275842 /nfs/dbraw/zinc/27/58/42/843275842.db2.gz LLHQCMCKQXPYMQ-ITGUQSILSA-N -1 0 357.409 -0.188 20 0 FBADRM Cc1nc(CNC(=O)C2(n3cnnn3)CCOCC2)sc1C(=O)[O-] ZINC001118483026 843275899 /nfs/dbraw/zinc/27/58/99/843275899.db2.gz MSFKPSLMAAUVFQ-UHFFFAOYSA-N -1 0 352.376 -0.042 20 0 FBADRM CS(=O)(=O)CC1(CCNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC001118483128 843275876 /nfs/dbraw/zinc/27/58/76/843275876.db2.gz USPFGVWWNGNSPR-WDEREUQCSA-N -1 0 360.432 -0.313 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCC(N3CCNC3=O)CC2)CCC1 ZINC001118483154 843275478 /nfs/dbraw/zinc/27/54/78/843275478.db2.gz VDDXSYBXWAYVEQ-UHFFFAOYSA-N -1 0 352.391 -0.626 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1CCS(=O)(=O)C1)CC(=O)[O-] ZINC001118483197 843276098 /nfs/dbraw/zinc/27/60/98/843276098.db2.gz VYVYTQNTADXZQL-NEPJUHHUSA-N -1 0 362.448 -0.210 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1CCS(=O)(=O)C1)CC(=O)[O-] ZINC001118483198 843275828 /nfs/dbraw/zinc/27/58/28/843275828.db2.gz VYVYTQNTADXZQL-RYUDHWBXSA-N -1 0 362.448 -0.210 20 0 FBADRM COc1cc(CS(=O)(=O)[N-]C(=O)COCc2nncn2C)sn1 ZINC001118483260 843275362 /nfs/dbraw/zinc/27/53/62/843275362.db2.gz NUZMZBLTAJRDQO-UHFFFAOYSA-N -1 0 361.405 -0.557 20 0 FBADRM Cn1nncc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC001118483269 843276497 /nfs/dbraw/zinc/27/64/97/843276497.db2.gz NZENRVLMLJUSRH-UHFFFAOYSA-N -1 0 356.385 -0.638 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1)[C@@H]1CCOC1 ZINC001118483520 843276870 /nfs/dbraw/zinc/27/68/70/843276870.db2.gz QWCYGCSQGYGRPJ-BXKDBHETSA-N -1 0 354.388 -0.175 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1)[C@H]1CCOC1 ZINC001118483521 843276333 /nfs/dbraw/zinc/27/63/33/843276333.db2.gz QWCYGCSQGYGRPJ-CABZTGNLSA-N -1 0 354.388 -0.175 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1)[C@H]1CCOC1 ZINC001118483522 843276514 /nfs/dbraw/zinc/27/65/14/843276514.db2.gz QWCYGCSQGYGRPJ-JOYOIKCWSA-N -1 0 354.388 -0.175 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1)[C@@H]1CCOC1 ZINC001118483523 843276807 /nfs/dbraw/zinc/27/68/07/843276807.db2.gz QWCYGCSQGYGRPJ-SKDRFNHKSA-N -1 0 354.388 -0.175 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CNC(=O)c2ccccc2)CC1 ZINC001118483560 843276938 /nfs/dbraw/zinc/27/69/38/843276938.db2.gz RVJAMQMXEIPBML-UHFFFAOYSA-N -1 0 367.427 -0.127 20 0 FBADRM O=C(CN1CCOCC1)[N-]S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC001118483603 843276599 /nfs/dbraw/zinc/27/65/99/843276599.db2.gz ULCBWUUYXUAVSM-UHFFFAOYSA-N -1 0 374.440 -0.748 20 0 FBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)C2CCN(C(C)=O)CC2)cn1 ZINC001118483607 843276441 /nfs/dbraw/zinc/27/64/41/843276441.db2.gz UNALXYNCLCZLHA-UHFFFAOYSA-N -1 0 369.399 -0.061 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]C(=O)CC2(n3cnnn3)CCOCC2)cn1C ZINC001118483654 843276588 /nfs/dbraw/zinc/27/65/88/843276588.db2.gz WGKZZKAWAGJSCI-UHFFFAOYSA-N -1 0 369.407 -0.884 20 0 FBADRM COC(=O)C(C)(C)n1cc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)cn1 ZINC001118487225 843277645 /nfs/dbraw/zinc/27/76/45/843277645.db2.gz QHMNCUVZDGHYEQ-JTQLQIEISA-N -1 0 354.363 -0.186 20 0 FBADRM COC(=O)C(C)(C)n1cc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cn1 ZINC001118487226 843277438 /nfs/dbraw/zinc/27/74/38/843277438.db2.gz QHMNCUVZDGHYEQ-SNVBAGLBSA-N -1 0 354.363 -0.186 20 0 FBADRM O=C([O-])C1(CNC(=O)CC2(n3cnnn3)CCOCC2)CCOCC1 ZINC001118505878 843280912 /nfs/dbraw/zinc/28/09/12/843280912.db2.gz JDENIIAGDOFRTQ-UHFFFAOYSA-N -1 0 353.379 -0.434 20 0 FBADRM CCN(CC)C(=O)CN1CCCN([C@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001118506800 843281721 /nfs/dbraw/zinc/28/17/21/843281721.db2.gz RRJXKOYYTDCQIL-AWEZNQCLSA-N -1 0 354.451 -0.452 20 0 FBADRM CCN(CC)C(=O)CN1CCCN([C@@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001118506801 843282040 /nfs/dbraw/zinc/28/20/40/843282040.db2.gz RRJXKOYYTDCQIL-CQSZACIVSA-N -1 0 354.451 -0.452 20 0 FBADRM CN(CCN1CCOCC1)C(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001118510619 843282919 /nfs/dbraw/zinc/28/29/19/843282919.db2.gz KNQUKKVQUZMIJD-UHFFFAOYSA-N -1 0 355.435 -0.120 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cn(Cc2ccccn2)nn1)OC ZINC001118516731 843284935 /nfs/dbraw/zinc/28/49/35/843284935.db2.gz KWBVCSQRHFMHMR-GFCCVEGCSA-N -1 0 369.403 -0.558 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cn(Cc2ccccn2)nn1)OC ZINC001118516733 843284556 /nfs/dbraw/zinc/28/45/56/843284556.db2.gz KWBVCSQRHFMHMR-LBPRGKRZSA-N -1 0 369.403 -0.558 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O)OC ZINC001118517420 843284730 /nfs/dbraw/zinc/28/47/30/843284730.db2.gz WXDUQUQPHHIVFI-JTQLQIEISA-N -1 0 350.393 -0.977 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O)OC ZINC001118517421 843285136 /nfs/dbraw/zinc/28/51/36/843285136.db2.gz WXDUQUQPHHIVFI-SNVBAGLBSA-N -1 0 350.393 -0.977 20 0 FBADRM CN(C)S(=O)(=O)NCC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC001118517598 843284943 /nfs/dbraw/zinc/28/49/43/843284943.db2.gz BXNQUJXYQOGDIN-UHFFFAOYSA-N -1 0 359.433 -0.249 20 0 FBADRM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)C2CCN(C(C)=O)CC2)c[nH]1 ZINC001118540593 843291783 /nfs/dbraw/zinc/29/17/83/843291783.db2.gz ACXCRGQDGKHPIE-UHFFFAOYSA-N -1 0 357.388 -0.128 20 0 FBADRM O=C(CC1(n2cnnn2)CCOCC1)[N-]S(=O)(=O)CCC(F)(F)F ZINC001118541141 843291507 /nfs/dbraw/zinc/29/15/07/843291507.db2.gz GRLSRTZBQJYPPD-UHFFFAOYSA-N -1 0 371.341 -0.033 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1coc(S(C)(=O)=O)c1 ZINC001118541500 843291945 /nfs/dbraw/zinc/29/19/45/843291945.db2.gz KQDLTTHAQATVDQ-UHFFFAOYSA-N -1 0 355.390 -0.596 20 0 FBADRM CS(=O)(=O)CCOc1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC001118541522 843292049 /nfs/dbraw/zinc/29/20/49/843292049.db2.gz HTPUJTSMMKYXCX-UHFFFAOYSA-N -1 0 358.372 -0.361 20 0 FBADRM C[C@@H]1CN(CCNC(=O)C(=O)Nc2cccnc2C(=O)[O-])[C@H](C)CO1 ZINC001118541616 843291534 /nfs/dbraw/zinc/29/15/34/843291534.db2.gz ISGMHMNLWCWWRC-GHMZBOCLSA-N -1 0 350.375 -0.056 20 0 FBADRM C[C@@H]1CO[C@@H](C)CN1CCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001118541617 843291413 /nfs/dbraw/zinc/29/14/13/843291413.db2.gz ISGMHMNLWCWWRC-MNOVXSKESA-N -1 0 350.375 -0.056 20 0 FBADRM C[C@H]1CN(CCNC(=O)C(=O)Nc2cccnc2C(=O)[O-])[C@@H](C)CO1 ZINC001118541619 843291769 /nfs/dbraw/zinc/29/17/69/843291769.db2.gz ISGMHMNLWCWWRC-QWRGUYRKSA-N -1 0 350.375 -0.056 20 0 FBADRM C[C@@H]1CN(CCNC(=O)C(=O)Nc2cccnc2C(=O)[O-])[C@@H](C)CO1 ZINC001118541620 843291516 /nfs/dbraw/zinc/29/15/16/843291516.db2.gz ISGMHMNLWCWWRC-WDEREUQCSA-N -1 0 350.375 -0.056 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@@]1(F)CCOC1 ZINC001118541789 843291565 /nfs/dbraw/zinc/29/15/65/843291565.db2.gz KVOHRWSJGVLZHM-GFCCVEGCSA-N -1 0 366.392 -0.191 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@]1(F)CCOC1 ZINC001118541790 843291460 /nfs/dbraw/zinc/29/14/60/843291460.db2.gz KVOHRWSJGVLZHM-LBPRGKRZSA-N -1 0 366.392 -0.191 20 0 FBADRM O=C([O-])CN(C(=O)CC1(n2cnnn2)CCOCC1)C1CCOCC1 ZINC001118541836 843291755 /nfs/dbraw/zinc/29/17/55/843291755.db2.gz MCEVERYVLTTYEW-UHFFFAOYSA-N -1 0 353.379 -0.339 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CCc1ocnc1C(=O)OC ZINC001118541854 843291993 /nfs/dbraw/zinc/29/19/93/843291993.db2.gz MPXYJUKHDHLXCL-UHFFFAOYSA-N -1 0 364.376 -0.499 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 ZINC001118541855 843291542 /nfs/dbraw/zinc/29/15/42/843291542.db2.gz MQJHAPUPZKDRAG-JTQLQIEISA-N -1 0 361.464 -0.006 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1 ZINC001118541856 843291573 /nfs/dbraw/zinc/29/15/73/843291573.db2.gz MQJHAPUPZKDRAG-SNVBAGLBSA-N -1 0 361.464 -0.006 20 0 FBADRM CCOC(=O)c1cc(C(=O)[N-]S(=O)(=O)C2CCN(C(C)=O)CC2)on1 ZINC001118541887 843291649 /nfs/dbraw/zinc/29/16/49/843291649.db2.gz OAAQHXDQOWKERY-UHFFFAOYSA-N -1 0 373.387 -0.078 20 0 FBADRM CC(=O)N1CCN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CC1 ZINC001118542040 843291553 /nfs/dbraw/zinc/29/15/53/843291553.db2.gz MBLTXRREOHMMEN-UHFFFAOYSA-N -1 0 351.363 -0.668 20 0 FBADRM O=C(CC1(n2cnnn2)CCOCC1)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC001118542295 843291820 /nfs/dbraw/zinc/29/18/20/843291820.db2.gz REWBVTVFAQQSFV-GFCCVEGCSA-N -1 0 373.435 -0.559 20 0 FBADRM O=C(CC1(n2cnnn2)CCOCC1)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC001118542296 843292087 /nfs/dbraw/zinc/29/20/87/843292087.db2.gz REWBVTVFAQQSFV-LBPRGKRZSA-N -1 0 373.435 -0.559 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)CC1(n2cnnn2)CCOCC1 ZINC001118542739 843291795 /nfs/dbraw/zinc/29/17/95/843291795.db2.gz WKJLCTITRCPLMF-UHFFFAOYSA-N -1 0 361.424 -0.559 20 0 FBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1 ZINC001118542753 843291671 /nfs/dbraw/zinc/29/16/71/843291671.db2.gz XARGKFYSBWSVOG-HZMBPMFUSA-N -1 0 361.464 -0.006 20 0 FBADRM CNC(=O)CCCN(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001118542786 843291873 /nfs/dbraw/zinc/29/18/73/843291873.db2.gz RGJDVVKCKZBENK-UHFFFAOYSA-N -1 0 353.379 -0.374 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CCNC(=O)CC(C)C)CC1 ZINC001118542808 843291957 /nfs/dbraw/zinc/29/19/57/843291957.db2.gz YLQMAWZGUABKBS-UHFFFAOYSA-N -1 0 361.464 -0.004 20 0 FBADRM O=C([O-])[C@@H](NC(=O)CC1(n2cnnn2)CCOCC1)[C@H]1CCCOC1 ZINC001118544346 843292965 /nfs/dbraw/zinc/29/29/65/843292965.db2.gz GWXMKYOHTPOMMX-AAEUAGOBSA-N -1 0 353.379 -0.435 20 0 FBADRM O=C([O-])[C@H](NC(=O)CC1(n2cnnn2)CCOCC1)[C@@H]1CCCOC1 ZINC001118544347 843292458 /nfs/dbraw/zinc/29/24/58/843292458.db2.gz GWXMKYOHTPOMMX-DGCLKSJQSA-N -1 0 353.379 -0.435 20 0 FBADRM O=C([O-])[C@H](NC(=O)CC1(n2cnnn2)CCOCC1)[C@H]1CCCOC1 ZINC001118544348 843292425 /nfs/dbraw/zinc/29/24/25/843292425.db2.gz GWXMKYOHTPOMMX-WCQYABFASA-N -1 0 353.379 -0.435 20 0 FBADRM O=C([O-])[C@@H](NC(=O)CC1(n2cnnn2)CCOCC1)[C@@H]1CCCOC1 ZINC001118544349 843292999 /nfs/dbraw/zinc/29/29/99/843292999.db2.gz GWXMKYOHTPOMMX-YPMHNXCESA-N -1 0 353.379 -0.435 20 0 FBADRM CC(=O)NCC(=O)NCC(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001118545593 843292557 /nfs/dbraw/zinc/29/25/57/843292557.db2.gz NAUXINDMSNMPLN-BDAKNGLRSA-N -1 0 353.297 -0.650 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)CC(=O)[O-] ZINC001118547942 843292650 /nfs/dbraw/zinc/29/26/50/843292650.db2.gz AXHYTRAZIYQCSB-MELADBBJSA-N -1 0 355.435 -0.483 20 0 FBADRM Cn1cnc(CCCNC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)n1 ZINC001118548112 843292783 /nfs/dbraw/zinc/29/27/83/843292783.db2.gz GZMXOUJFAQNUOK-UHFFFAOYSA-N -1 0 351.407 -0.033 20 0 FBADRM COCCc1noc(CN(C)C(=O)C(=O)NCC2(C(=O)[O-])CCC2)n1 ZINC001118548621 843293987 /nfs/dbraw/zinc/29/39/87/843293987.db2.gz OSAWNUATGJSKFP-UHFFFAOYSA-N -1 0 354.363 -0.412 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N(C)CCNS(C)(=O)=O)CC(=O)[O-] ZINC001118549249 843293367 /nfs/dbraw/zinc/29/33/67/843293367.db2.gz XQDIEEYOBUAANZ-NSHDSACASA-N -1 0 365.452 -0.753 20 0 FBADRM CCN(CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1)[C@H](C)C(=O)[O-] ZINC001118569251 843298575 /nfs/dbraw/zinc/29/85/75/843298575.db2.gz UCGRRFKJNQLXQM-NEPJUHHUSA-N -1 0 350.437 -0.557 20 0 FBADRM CCN(CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)[O-] ZINC001118569252 843298633 /nfs/dbraw/zinc/29/86/33/843298633.db2.gz UCGRRFKJNQLXQM-NWDGAFQWSA-N -1 0 350.437 -0.557 20 0 FBADRM CCN(CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)[O-] ZINC001118569253 843297974 /nfs/dbraw/zinc/29/79/74/843297974.db2.gz UCGRRFKJNQLXQM-RYUDHWBXSA-N -1 0 350.437 -0.557 20 0 FBADRM CCN(CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1)[C@H](C)C(=O)[O-] ZINC001118569254 843298276 /nfs/dbraw/zinc/29/82/76/843298276.db2.gz UCGRRFKJNQLXQM-VXGBXAGGSA-N -1 0 350.437 -0.557 20 0 FBADRM CS(=O)(=O)C[C@@H]1CCN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)C1 ZINC001118572099 843299486 /nfs/dbraw/zinc/29/94/86/843299486.db2.gz OCYCRPJFAJYQAS-CYBMUJFWSA-N -1 0 374.459 -0.017 20 0 FBADRM CS(=O)(=O)C[C@H]1CCN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)C1 ZINC001118572100 843299774 /nfs/dbraw/zinc/29/97/74/843299774.db2.gz OCYCRPJFAJYQAS-ZDUSSCGKSA-N -1 0 374.459 -0.017 20 0 FBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC[C@H](CN3CCCC3=O)C2)CC1 ZINC001118572973 843299111 /nfs/dbraw/zinc/29/91/11/843299111.db2.gz YYWUKEANXAZENA-GFCCVEGCSA-N -1 0 351.403 -0.220 20 0 FBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CC[C@@H](CN3CCCC3=O)C2)CC1 ZINC001118572974 843299085 /nfs/dbraw/zinc/29/90/85/843299085.db2.gz YYWUKEANXAZENA-LBPRGKRZSA-N -1 0 351.403 -0.220 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)NC2(C(=O)[O-])CCOCC2)cn1 ZINC001118576839 843300189 /nfs/dbraw/zinc/30/01/89/843300189.db2.gz YBJMMBQJBGABSP-UHFFFAOYSA-N -1 0 357.388 -0.305 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1coc(S(C)(=O)=O)c1)OC ZINC001118579872 843300380 /nfs/dbraw/zinc/30/03/80/843300380.db2.gz XZFDNEALZWTOSJ-SECBINFHSA-N -1 0 355.390 -0.596 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1coc(S(C)(=O)=O)c1)OC ZINC001118579873 843300462 /nfs/dbraw/zinc/30/04/62/843300462.db2.gz XZFDNEALZWTOSJ-VIFPVBQESA-N -1 0 355.390 -0.596 20 0 FBADRM O=C([O-])[C@H](NC(=O)CC1(n2cnnn2)CCOCC1)C1CCOCC1 ZINC001118640398 843311780 /nfs/dbraw/zinc/31/17/80/843311780.db2.gz JFLYBOYXRVXKND-CYBMUJFWSA-N -1 0 353.379 -0.435 20 0 FBADRM O=C([O-])[C@@H](NC(=O)CC1(n2cnnn2)CCOCC1)C1CCOCC1 ZINC001118640400 843311600 /nfs/dbraw/zinc/31/16/00/843311600.db2.gz JFLYBOYXRVXKND-ZDUSSCGKSA-N -1 0 353.379 -0.435 20 0 FBADRM CS(=O)(=O)NCc1ccc(C(=O)N[C@@H](C(=O)[O-])C2CCOCC2)o1 ZINC001118640738 843311420 /nfs/dbraw/zinc/31/14/20/843311420.db2.gz PXEZOABTGKLKDR-GFCCVEGCSA-N -1 0 360.388 -0.062 20 0 FBADRM CS(=O)(=O)NCc1ccc(C(=O)N[C@H](C(=O)[O-])C2CCOCC2)o1 ZINC001118640739 843311913 /nfs/dbraw/zinc/31/19/13/843311913.db2.gz PXEZOABTGKLKDR-LBPRGKRZSA-N -1 0 360.388 -0.062 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)[O-])C2CCOCC2)cc1 ZINC001118640851 843312228 /nfs/dbraw/zinc/31/22/28/843312228.db2.gz UJCZZHCHTMRLDJ-AWEZNQCLSA-N -1 0 356.400 -0.128 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)[O-])C2CCOCC2)cc1 ZINC001118640852 843312247 /nfs/dbraw/zinc/31/22/47/843312247.db2.gz UJCZZHCHTMRLDJ-CQSZACIVSA-N -1 0 356.400 -0.128 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001118662705 843317592 /nfs/dbraw/zinc/31/75/92/843317592.db2.gz JKUBZSDIGISEBA-JTQLQIEISA-N -1 0 358.395 -0.704 20 0 FBADRM C[C@@H]1CCS(=O)(=O)CCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001118696615 843325135 /nfs/dbraw/zinc/32/51/35/843325135.db2.gz JUTXMEOZGRIUIA-SECBINFHSA-N -1 0 362.429 -0.311 20 0 FBADRM C[C@H]1CCS(=O)(=O)CCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001118696616 843325185 /nfs/dbraw/zinc/32/51/85/843325185.db2.gz JUTXMEOZGRIUIA-VIFPVBQESA-N -1 0 362.429 -0.311 20 0 FBADRM Cn1[n-]c(C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1=O ZINC001118698846 843325977 /nfs/dbraw/zinc/32/59/77/843325977.db2.gz MVNNMCFPSKVZTE-UHFFFAOYSA-N -1 0 355.376 -0.599 20 0 FBADRM COC(=O)CN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])C1CCOCC1 ZINC001118718704 843331037 /nfs/dbraw/zinc/33/10/37/843331037.db2.gz ICNLZOARVLQWTP-UHFFFAOYSA-N -1 0 372.399 -0.166 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC1(CC(=O)NC)CCCCC1 ZINC001118723767 843332371 /nfs/dbraw/zinc/33/23/71/843332371.db2.gz OJRBKBPHLKNARF-UHFFFAOYSA-N -1 0 356.423 -0.627 20 0 FBADRM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccc4oc(=O)nc-4[n-]3)C[C@H]21 ZINC001118732343 843334798 /nfs/dbraw/zinc/33/47/98/843334798.db2.gz BLJFMAVREDDNMN-XROYCOCOSA-N -1 0 353.356 -0.188 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC001118745393 843336785 /nfs/dbraw/zinc/33/67/85/843336785.db2.gz LBAJPVMAEUYUAX-GFCCVEGCSA-N -1 0 354.407 -0.780 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC001118745394 843336408 /nfs/dbraw/zinc/33/64/08/843336408.db2.gz LBAJPVMAEUYUAX-LBPRGKRZSA-N -1 0 354.407 -0.780 20 0 FBADRM CS(=O)(=O)CCN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])C1CC1 ZINC001118751061 843338153 /nfs/dbraw/zinc/33/81/53/843338153.db2.gz UGFZSRWSQMZYLV-UHFFFAOYSA-N -1 0 362.429 -0.311 20 0 FBADRM Cc1nc(C)n(C2CN(C(=O)c3cc(S(N)(=O)=O)ccc3[O-])C2)n1 ZINC001118759393 843339729 /nfs/dbraw/zinc/33/97/29/843339729.db2.gz NCGRAOXBWPPICE-UHFFFAOYSA-N -1 0 351.388 -0.055 20 0 FBADRM CC(C)[C@@H](CO)O[N-]C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001118771522 843342837 /nfs/dbraw/zinc/34/28/37/843342837.db2.gz IIMNRSYHZMMLKF-CMPLNLGQSA-N -1 0 361.420 -0.783 20 0 FBADRM CC(C)[C@H](CO)O[N-]C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001118771523 843342452 /nfs/dbraw/zinc/34/24/52/843342452.db2.gz IIMNRSYHZMMLKF-JQWIXIFHSA-N -1 0 361.420 -0.783 20 0 FBADRM CC(C)[C@H](CO)O[N-]C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001118771524 843342656 /nfs/dbraw/zinc/34/26/56/843342656.db2.gz IIMNRSYHZMMLKF-PWSUYJOCSA-N -1 0 361.420 -0.783 20 0 FBADRM CC(C)[C@@H](CO)O[N-]C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001118771525 843342490 /nfs/dbraw/zinc/34/24/90/843342490.db2.gz IIMNRSYHZMMLKF-ZYHUDNBSSA-N -1 0 361.420 -0.783 20 0 FBADRM COc1cc(C(=O)N[C@H]2CCNC2=O)cc([N-]S(C)(=O)=O)c1OC ZINC001118775003 843342249 /nfs/dbraw/zinc/34/22/49/843342249.db2.gz LPALMCGLZZHVPH-VIFPVBQESA-N -1 0 357.388 -0.306 20 0 FBADRM Nc1nc2nc(CN3CCS(=O)(=O)C4(CCCCC4)C3)cc(=O)n2[n-]1 ZINC001118804939 843345356 /nfs/dbraw/zinc/34/53/56/843345356.db2.gz JVHVUZGZJMUYPE-UHFFFAOYSA-N -1 0 366.447 -0.067 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1c(Br)nc2n1CCOC2 ZINC001118809505 843346800 /nfs/dbraw/zinc/34/68/00/843346800.db2.gz JUICRTZNNCPORE-UHFFFAOYSA-N -1 0 368.209 -0.118 20 0 FBADRM Cn1nccc1[C@@H](O)C1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC001118825308 843350032 /nfs/dbraw/zinc/35/00/32/843350032.db2.gz ZCPBLTVFJBMNCJ-AWEZNQCLSA-N -1 0 352.391 -0.327 20 0 FBADRM Cn1nccc1[C@H](O)C1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC001118825309 843349952 /nfs/dbraw/zinc/34/99/52/843349952.db2.gz ZCPBLTVFJBMNCJ-CQSZACIVSA-N -1 0 352.391 -0.327 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC(O)(CO)CC2)c1 ZINC001118830467 843351003 /nfs/dbraw/zinc/35/10/03/843351003.db2.gz WVHIEUXRPDGEBI-UHFFFAOYSA-N -1 0 358.416 -0.398 20 0 FBADRM CN(Cc1n[n-]c(=O)o1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC001118831177 843350742 /nfs/dbraw/zinc/35/07/42/843350742.db2.gz XVSUFSDTGGFYBG-UHFFFAOYSA-N -1 0 372.359 -0.339 20 0 FBADRM C[C@@H]1[C@H](NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CCS1(=O)=O ZINC001118846645 843354541 /nfs/dbraw/zinc/35/45/41/843354541.db2.gz NIZCAVYXJCLMQZ-BXKDBHETSA-N -1 0 354.384 -0.056 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn2c1OCCC2)c1noc2c1COCC2 ZINC001118848155 843354656 /nfs/dbraw/zinc/35/46/56/843354656.db2.gz JYPYJDBIBIWEMF-UHFFFAOYSA-N -1 0 354.344 -0.155 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cn3c(n2)COCC3)CC1 ZINC001118853210 843356136 /nfs/dbraw/zinc/35/61/36/843356136.db2.gz YUIMIUODGVPZKJ-UHFFFAOYSA-N -1 0 372.403 -0.727 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cn3c(n2)COCC3)cc1 ZINC001118855220 843355585 /nfs/dbraw/zinc/35/55/85/843355585.db2.gz FARGFOQSYHOAGU-UHFFFAOYSA-N -1 0 364.383 -0.108 20 0 FBADRM COc1cccc(CS(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)c1 ZINC001118855286 843356101 /nfs/dbraw/zinc/35/61/01/843356101.db2.gz GFIVAWVSSBHZAE-UHFFFAOYSA-N -1 0 355.372 -0.465 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)/C=C/c1ccc(S(C)(=O)=O)o1 ZINC001118855704 843355468 /nfs/dbraw/zinc/35/54/68/843355468.db2.gz MWKZVJNOAZFGKY-GQCTYLIASA-N -1 0 365.385 -0.295 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)/C=C\c1ccc(S(C)(=O)=O)o1 ZINC001118855705 843356177 /nfs/dbraw/zinc/35/61/77/843356177.db2.gz MWKZVJNOAZFGKY-XQRVVYSFSA-N -1 0 365.385 -0.295 20 0 FBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2OC)c1 ZINC001118856169 843355819 /nfs/dbraw/zinc/35/58/19/843355819.db2.gz QYHGCCDSNURDFH-UHFFFAOYSA-N -1 0 371.375 -0.775 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001118856619 843355751 /nfs/dbraw/zinc/35/57/51/843355751.db2.gz WTCOIJXDOSJPPS-LURJTMIESA-N -1 0 354.310 -0.289 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001118856621 843355632 /nfs/dbraw/zinc/35/56/32/843355632.db2.gz WTCOIJXDOSJPPS-ZCFIWIBFSA-N -1 0 354.310 -0.289 20 0 FBADRM Cc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)n(C2CCOCC2)n1 ZINC001118856633 843355603 /nfs/dbraw/zinc/35/56/03/843355603.db2.gz ADJYOPSXRAZAHT-UHFFFAOYSA-N -1 0 358.420 -0.261 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)c(C)o1 ZINC001118856867 843356125 /nfs/dbraw/zinc/35/61/25/843356125.db2.gz YYBSDZRKEAASTO-SSDOTTSWSA-N -1 0 353.374 -0.387 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)c(C)o1 ZINC001118856878 843355693 /nfs/dbraw/zinc/35/56/93/843355693.db2.gz YYBSDZRKEAASTO-ZETCQYMHSA-N -1 0 353.374 -0.387 20 0 FBADRM CC(C)n1cc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)cn1 ZINC001118856893 843355451 /nfs/dbraw/zinc/35/54/51/843355451.db2.gz JPIDTBYRCIYHCU-MCYUEQNJSA-N -1 0 369.399 -0.011 20 0 FBADRM CN1C(=O)COc2ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc21 ZINC001118857204 843355672 /nfs/dbraw/zinc/35/56/72/843355672.db2.gz IBAIXPBVIQQKSE-UHFFFAOYSA-N -1 0 355.372 -0.763 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCOC1)c1cn(C[C@H]2CCOC2)nn1 ZINC001118857265 843355995 /nfs/dbraw/zinc/35/59/95/843355995.db2.gz NVDYRTMGPWWNFL-NEPJUHHUSA-N -1 0 358.420 -0.199 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCOC1)c1cn(C[C@@H]2CCOC2)nn1 ZINC001118857266 843356704 /nfs/dbraw/zinc/35/67/04/843356704.db2.gz NVDYRTMGPWWNFL-NWDGAFQWSA-N -1 0 358.420 -0.199 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCOC1)c1cn(C[C@@H]2CCOC2)nn1 ZINC001118857267 843356836 /nfs/dbraw/zinc/35/68/36/843356836.db2.gz NVDYRTMGPWWNFL-RYUDHWBXSA-N -1 0 358.420 -0.199 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCOC1)c1cn(C[C@H]2CCOC2)nn1 ZINC001118857268 843356488 /nfs/dbraw/zinc/35/64/88/843356488.db2.gz NVDYRTMGPWWNFL-VXGBXAGGSA-N -1 0 358.420 -0.199 20 0 FBADRM CNC(=O)C1CCC(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC001118861618 843356454 /nfs/dbraw/zinc/35/64/54/843356454.db2.gz MWRFDHKUPTWHNX-IKWCTNDRSA-N -1 0 353.419 -0.023 20 0 FBADRM CNC(=O)C1CCC(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC001118861619 843356870 /nfs/dbraw/zinc/35/68/70/843356870.db2.gz MWRFDHKUPTWHNX-WTIISPKJSA-N -1 0 353.419 -0.023 20 0 FBADRM CNC(=O)C1CCC(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC001118861620 843356647 /nfs/dbraw/zinc/35/66/47/843356647.db2.gz MWRFDHKUPTWHNX-XVSSEFHLSA-N -1 0 353.419 -0.023 20 0 FBADRM CNC(=O)C1CCC(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC001118861621 843356853 /nfs/dbraw/zinc/35/68/53/843356853.db2.gz MWRFDHKUPTWHNX-YWPUVAFDSA-N -1 0 353.419 -0.023 20 0 FBADRM CC(=O)N1CCC[C@H](CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)C1 ZINC001118862192 843357337 /nfs/dbraw/zinc/35/73/37/843357337.db2.gz VGMHFDFQXVQZQV-BNOWGMLFSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(=O)N1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC001118862193 843357408 /nfs/dbraw/zinc/35/74/08/843357408.db2.gz VGMHFDFQXVQZQV-IACUBPJLSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(=O)N1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)C1 ZINC001118862194 843357575 /nfs/dbraw/zinc/35/75/75/843357575.db2.gz VGMHFDFQXVQZQV-MRVWCRGKSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(=O)N1CCC[C@H](CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC001118862195 843357764 /nfs/dbraw/zinc/35/77/64/843357764.db2.gz VGMHFDFQXVQZQV-YUTCNCBUSA-N -1 0 353.419 -0.070 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)C(=O)[O-] ZINC001118862203 843357419 /nfs/dbraw/zinc/35/74/19/843357419.db2.gz VLPOOMNBSIIWSO-NDMJEZRESA-N -1 0 351.359 -0.088 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)C(=O)[O-] ZINC001118862204 843357532 /nfs/dbraw/zinc/35/75/32/843357532.db2.gz VLPOOMNBSIIWSO-XWIASGKRSA-N -1 0 351.359 -0.088 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ncc3c(n2)CCOC3)on1 ZINC001118873378 843360283 /nfs/dbraw/zinc/36/02/83/843360283.db2.gz KFWDTHHBAKQFNT-UHFFFAOYSA-N -1 0 354.344 -0.198 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCCN(CC(N)=O)CC2)cn1 ZINC001118874234 843361140 /nfs/dbraw/zinc/36/11/40/843361140.db2.gz WBZQEOMBPKOFJR-UHFFFAOYSA-N -1 0 355.420 -0.914 20 0 FBADRM Cn1nnc2c1CC[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C2 ZINC001118879141 843362426 /nfs/dbraw/zinc/36/24/26/843362426.db2.gz RRTXWUZPHRHOHD-JTQLQIEISA-N -1 0 350.404 -0.131 20 0 FBADRM Cn1nnc2c1CC[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C2 ZINC001118879142 843362550 /nfs/dbraw/zinc/36/25/50/843362550.db2.gz RRTXWUZPHRHOHD-SNVBAGLBSA-N -1 0 350.404 -0.131 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC(N3CCOCC3)CC2)c1 ZINC001118880532 843364236 /nfs/dbraw/zinc/36/42/36/843364236.db2.gz MJILGKWSHOSPDA-UHFFFAOYSA-N -1 0 369.443 -0.024 20 0 FBADRM COC(=O)COCCNS(=O)(=O)c1nc(C)n(C)c1Br ZINC001118882921 843364006 /nfs/dbraw/zinc/36/40/06/843364006.db2.gz MLZKESKVHLHQNN-UHFFFAOYSA-N -1 0 370.225 -0.041 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CCCN(CC(N)=O)C2)cn1 ZINC001118887859 843366042 /nfs/dbraw/zinc/36/60/42/843366042.db2.gz KOCQYDJBCVZMDK-LLVKDONJSA-N -1 0 355.420 -0.867 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCCN(CC(N)=O)C2)cn1 ZINC001118887860 843365660 /nfs/dbraw/zinc/36/56/60/843365660.db2.gz KOCQYDJBCVZMDK-NSHDSACASA-N -1 0 355.420 -0.867 20 0 FBADRM COc1cncc(S(=O)(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c1 ZINC001118892705 843366847 /nfs/dbraw/zinc/36/68/47/843366847.db2.gz BHFIKMULPSYPBS-HNNXBMFYSA-N -1 0 371.415 -0.360 20 0 FBADRM COc1cncc(S(=O)(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c1 ZINC001118892707 843366862 /nfs/dbraw/zinc/36/68/62/843366862.db2.gz BHFIKMULPSYPBS-OAHLLOKOSA-N -1 0 371.415 -0.360 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(S(=O)(=O)CC[C@@H]3CCOC3)CC2)CCOC1 ZINC001118893186 843367877 /nfs/dbraw/zinc/36/78/77/843367877.db2.gz HSOODKGVHBSVHO-DZGCQCFKSA-N -1 0 362.448 -0.396 20 0 FBADRM O=C([O-])[C@]1(N2CCN(S(=O)(=O)CC[C@H]3CCOC3)CC2)CCOC1 ZINC001118893187 843367688 /nfs/dbraw/zinc/36/76/88/843367688.db2.gz HSOODKGVHBSVHO-HIFRSBDPSA-N -1 0 362.448 -0.396 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(S(=O)(=O)CC[C@H]3CCOC3)CC2)CCOC1 ZINC001118893188 843367859 /nfs/dbraw/zinc/36/78/59/843367859.db2.gz HSOODKGVHBSVHO-UKRRQHHQSA-N -1 0 362.448 -0.396 20 0 FBADRM O=C([O-])[C@]1(N2CCN(S(=O)(=O)CC[C@@H]3CCOC3)CC2)CCOC1 ZINC001118893189 843367835 /nfs/dbraw/zinc/36/78/35/843367835.db2.gz HSOODKGVHBSVHO-ZFWWWQNUSA-N -1 0 362.448 -0.396 20 0 FBADRM CC1CCN(S(=O)(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CC1 ZINC001118894337 843367650 /nfs/dbraw/zinc/36/76/50/843367650.db2.gz QCLKZXBRQNUBDW-HNNXBMFYSA-N -1 0 361.464 -0.176 20 0 FBADRM CC1CCN(S(=O)(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CC1 ZINC001118894339 843367664 /nfs/dbraw/zinc/36/76/64/843367664.db2.gz QCLKZXBRQNUBDW-OAHLLOKOSA-N -1 0 361.464 -0.176 20 0 FBADRM NS(=O)(=O)c1cnc(N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)s1 ZINC001118894748 843367548 /nfs/dbraw/zinc/36/75/48/843367548.db2.gz XSLMRHUQNHRJRL-GFCCVEGCSA-N -1 0 362.433 -0.844 20 0 FBADRM NS(=O)(=O)c1cnc(N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)s1 ZINC001118894759 843367436 /nfs/dbraw/zinc/36/74/36/843367436.db2.gz XSLMRHUQNHRJRL-LBPRGKRZSA-N -1 0 362.433 -0.844 20 0 FBADRM CCN1C(=O)CO[C@H](C(=O)[N-]S(=O)(=O)C(F)F)[C@H]1c1nccn1C ZINC001118907769 843370230 /nfs/dbraw/zinc/37/02/30/843370230.db2.gz BLZCPBGCPYOKCV-IUCAKERBSA-N -1 0 366.346 -0.623 20 0 FBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1 ZINC001118907988 843370239 /nfs/dbraw/zinc/37/02/39/843370239.db2.gz JXYLSGUDVWPQOV-JTQLQIEISA-N -1 0 362.433 -0.783 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1 ZINC001118907989 843370515 /nfs/dbraw/zinc/37/05/15/843370515.db2.gz JXYLSGUDVWPQOV-SNVBAGLBSA-N -1 0 362.433 -0.783 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)COCC(F)F ZINC001118908119 843370565 /nfs/dbraw/zinc/37/05/65/843370565.db2.gz NRJQZTKYERQPSB-UHFFFAOYSA-N -1 0 351.331 -0.130 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)cn1 ZINC001118911485 843370949 /nfs/dbraw/zinc/37/09/49/843370949.db2.gz DGALKSOUOVFVDU-LLVKDONJSA-N -1 0 363.399 -0.018 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)cn1 ZINC001118911492 843371262 /nfs/dbraw/zinc/37/12/62/843371262.db2.gz DGALKSOUOVFVDU-NSHDSACASA-N -1 0 363.399 -0.018 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)/C=C\c1ccc(S(C)(=O)=O)o1 ZINC001118912173 843371239 /nfs/dbraw/zinc/37/12/39/843371239.db2.gz QZHLWMOXZSAUPU-HORMHSFOSA-N -1 0 365.385 -0.296 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)/C=C/c1ccc(S(C)(=O)=O)o1 ZINC001118912174 843371083 /nfs/dbraw/zinc/37/10/83/843371083.db2.gz QZHLWMOXZSAUPU-JQTRYQTASA-N -1 0 365.385 -0.296 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)/C=C\c1ccc(S(C)(=O)=O)o1 ZINC001118912175 843371305 /nfs/dbraw/zinc/37/13/05/843371305.db2.gz QZHLWMOXZSAUPU-RZAAKKIOSA-N -1 0 365.385 -0.296 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)/C=C/c1ccc(S(C)(=O)=O)o1 ZINC001118912176 843371455 /nfs/dbraw/zinc/37/14/55/843371455.db2.gz QZHLWMOXZSAUPU-YZCDNWJKSA-N -1 0 365.385 -0.296 20 0 FBADRM COCCCn1cc(C(=O)[N-]S(=O)(=O)C2CCN(C(C)=O)CC2)cn1 ZINC001118912800 843371462 /nfs/dbraw/zinc/37/14/62/843371462.db2.gz FWEWZMLAMUIOAG-UHFFFAOYSA-N -1 0 372.447 -0.010 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2ccnc3ccnn32)CC1 ZINC001118913270 843370807 /nfs/dbraw/zinc/37/08/07/843370807.db2.gz JHJAMSMTWRTKJI-UHFFFAOYSA-N -1 0 351.388 -0.200 20 0 FBADRM Cc1oc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1S(C)(=O)=O ZINC001118913369 843370864 /nfs/dbraw/zinc/37/08/64/843370864.db2.gz MBKYYOPTZZPHAU-UHFFFAOYSA-N -1 0 352.390 -0.813 20 0 FBADRM Cc1n[nH]c(=O)c(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c1C ZINC001118913458 843371422 /nfs/dbraw/zinc/37/14/22/843371422.db2.gz HXPBSDPOISFVNV-INIZCTEOSA-N -1 0 350.375 -0.199 20 0 FBADRM Cc1n[nH]c(=O)c(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c1C ZINC001118913459 843371023 /nfs/dbraw/zinc/37/10/23/843371023.db2.gz HXPBSDPOISFVNV-MRXNPFEDSA-N -1 0 350.375 -0.199 20 0 FBADRM CS(=O)(=O)c1ccc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)o1 ZINC001118913509 843371248 /nfs/dbraw/zinc/37/12/48/843371248.db2.gz JPTIEPIBZUEHAE-HNNXBMFYSA-N -1 0 372.399 -0.315 20 0 FBADRM CS(=O)(=O)c1ccc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)o1 ZINC001118913510 843370789 /nfs/dbraw/zinc/37/07/89/843370789.db2.gz JPTIEPIBZUEHAE-OAHLLOKOSA-N -1 0 372.399 -0.315 20 0 FBADRM C[C@@H]1C[C@H](C(=O)N2CCN(C(=O)N3CCOCC3)CC2)O[C@H]1C(=O)[O-] ZINC001118914236 843370923 /nfs/dbraw/zinc/37/09/23/843370923.db2.gz QASZTIOEFHATLA-JHJVBQTASA-N -1 0 355.391 -0.539 20 0 FBADRM CCN1C(=O)CO[C@H](C(=O)[N-]OC2CCOCC2)[C@H]1c1nccn1C ZINC001118914442 843372481 /nfs/dbraw/zinc/37/24/81/843372481.db2.gz RZCAANRPRRGRLS-KBPBESRZSA-N -1 0 352.391 -0.065 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)c1cn2c(n1)COCC2 ZINC001118914951 843371919 /nfs/dbraw/zinc/37/19/19/843371919.db2.gz UJEFUBVEBKWHPD-JTQLQIEISA-N -1 0 367.387 -0.310 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)c1cn2c(n1)COCC2 ZINC001118914953 843372022 /nfs/dbraw/zinc/37/20/22/843372022.db2.gz UJEFUBVEBKWHPD-SNVBAGLBSA-N -1 0 367.387 -0.310 20 0 FBADRM CC[C@@]1(C)NC(=O)N(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1=O ZINC001118916263 843371873 /nfs/dbraw/zinc/37/18/73/843371873.db2.gz XQDSTWXOUMFUCQ-CYBMUJFWSA-N -1 0 355.376 -0.182 20 0 FBADRM CC[C@]1(C)NC(=O)N(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1=O ZINC001118916264 843372153 /nfs/dbraw/zinc/37/21/53/843372153.db2.gz XQDSTWXOUMFUCQ-ZDUSSCGKSA-N -1 0 355.376 -0.182 20 0 FBADRM CO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)C1 ZINC001118949732 843379994 /nfs/dbraw/zinc/37/99/94/843379994.db2.gz AJAGQNXHGASVCN-NOZJJQNGSA-N -1 0 351.325 -0.097 20 0 FBADRM CO[C@@H]1CCN(C(=O)C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)C1 ZINC001118949733 843379938 /nfs/dbraw/zinc/37/99/38/843379938.db2.gz AJAGQNXHGASVCN-RNCFNFMXSA-N -1 0 351.325 -0.097 20 0 FBADRM CS(=O)(=O)c1ccc(N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)nc1 ZINC001118952103 843381319 /nfs/dbraw/zinc/38/13/19/843381319.db2.gz RNTNEMCKZRKSQV-HNNXBMFYSA-N -1 0 355.416 -0.149 20 0 FBADRM CS(=O)(=O)c1ccc(N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)nc1 ZINC001118952104 843381185 /nfs/dbraw/zinc/38/11/85/843381185.db2.gz RNTNEMCKZRKSQV-OAHLLOKOSA-N -1 0 355.416 -0.149 20 0 FBADRM Cc1cc(CS(=O)(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)no1 ZINC001118952363 843381529 /nfs/dbraw/zinc/38/15/29/843381529.db2.gz VIUOYVOWTOTZGR-AWEZNQCLSA-N -1 0 359.404 -0.326 20 0 FBADRM Cc1cc(CS(=O)(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)no1 ZINC001118952366 843380971 /nfs/dbraw/zinc/38/09/71/843380971.db2.gz VIUOYVOWTOTZGR-CQSZACIVSA-N -1 0 359.404 -0.326 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]c1ncn(CC(=O)N2CCCCCC2)n1 ZINC001118953909 843381698 /nfs/dbraw/zinc/38/16/98/843381698.db2.gz JZIJWNLSSJGPKY-UHFFFAOYSA-N -1 0 368.423 -0.390 20 0 FBADRM O=C([O-])C1CCN(S(=O)(=O)N2CCN(c3nccnn3)CC2)CC1 ZINC001118954432 843382135 /nfs/dbraw/zinc/38/21/35/843382135.db2.gz OOJCLPZDGBMXAP-UHFFFAOYSA-N -1 0 356.408 -0.965 20 0 FBADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]1C[C@@H](O)C1 ZINC001118960952 843383722 /nfs/dbraw/zinc/38/37/22/843383722.db2.gz YKXOAOUHEBSSRN-PHIMTYICSA-N -1 0 367.449 -0.195 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCn2cc(CO)nn2)cn1 ZINC001118970591 843386161 /nfs/dbraw/zinc/38/61/61/843386161.db2.gz PFTQNRBKFHCGCA-UHFFFAOYSA-N -1 0 354.392 -0.643 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(CC(F)F)CC2)C1 ZINC001118970960 843385711 /nfs/dbraw/zinc/38/57/11/843385711.db2.gz QWIAGBKYCKXONS-HNNXBMFYSA-N -1 0 363.361 -0.655 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(CC(F)F)CC2)C1 ZINC001118970961 843385699 /nfs/dbraw/zinc/38/56/99/843385699.db2.gz QWIAGBKYCKXONS-OAHLLOKOSA-N -1 0 363.361 -0.655 20 0 FBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)COCc1ccnn1C ZINC001118972502 843386526 /nfs/dbraw/zinc/38/65/26/843386526.db2.gz HIFDMOCMNLLRSF-UHFFFAOYSA-N -1 0 352.391 -0.282 20 0 FBADRM O=C([O-])[C@]1([NH+]2CCN(C(=O)CCOC3CCOCC3)CC2)CCOC1 ZINC001118972568 843385816 /nfs/dbraw/zinc/38/58/16/843385816.db2.gz IJRFUUBGYVVVSZ-KRWDZBQOSA-N -1 0 356.419 -0.040 20 0 FBADRM O=C([O-])[C@@]1([NH+]2CCN(C(=O)CCOC3CCOCC3)CC2)CCOC1 ZINC001118972569 843386117 /nfs/dbraw/zinc/38/61/17/843386117.db2.gz IJRFUUBGYVVVSZ-QGZVFWFLSA-N -1 0 356.419 -0.040 20 0 FBADRM CS(=O)(=O)C1(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CCCC1 ZINC001118972696 843385685 /nfs/dbraw/zinc/38/56/85/843385685.db2.gz JEQIDJZCXAFDIV-HNNXBMFYSA-N -1 0 374.459 -0.268 20 0 FBADRM CS(=O)(=O)C1(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CCCC1 ZINC001118972698 843385931 /nfs/dbraw/zinc/38/59/31/843385931.db2.gz JEQIDJZCXAFDIV-OAHLLOKOSA-N -1 0 374.459 -0.268 20 0 FBADRM Cc1cc(CS(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])on1 ZINC001118997600 843388333 /nfs/dbraw/zinc/38/83/33/843388333.db2.gz DJMGQIRHCYRTTQ-SECBINFHSA-N -1 0 352.390 -0.613 20 0 FBADRM Cc1cc(CS(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])on1 ZINC001118997601 843387574 /nfs/dbraw/zinc/38/75/74/843387574.db2.gz DJMGQIRHCYRTTQ-VIFPVBQESA-N -1 0 352.390 -0.613 20 0 FBADRM O=C([O-])[C@@H](Cc1ccco1)NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC001118997646 843388344 /nfs/dbraw/zinc/38/83/44/843388344.db2.gz FZPXQSJJCRFNCU-LLVKDONJSA-N -1 0 351.402 -0.228 20 0 FBADRM O=C([O-])[C@H](Cc1ccco1)NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC001118997647 843388248 /nfs/dbraw/zinc/38/82/48/843388248.db2.gz FZPXQSJJCRFNCU-NSHDSACASA-N -1 0 351.402 -0.228 20 0 FBADRM COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001118998042 843388234 /nfs/dbraw/zinc/38/82/34/843388234.db2.gz TUMUZLBKCGDLKX-RQJHMYQMSA-N -1 0 364.763 -0.270 20 0 FBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)c1 ZINC001118999423 843389100 /nfs/dbraw/zinc/38/91/00/843389100.db2.gz SNBLAAAWVUROPQ-UHFFFAOYSA-N -1 0 355.416 -0.125 20 0 FBADRM COc1ccc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)cc1CC(=O)[O-] ZINC001119001954 843389089 /nfs/dbraw/zinc/38/90/89/843389089.db2.gz ZSMTVVWJAZUOGK-CYBMUJFWSA-N -1 0 369.443 -0.400 20 0 FBADRM COc1ccc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)cc1CC(=O)[O-] ZINC001119001955 843388865 /nfs/dbraw/zinc/38/88/65/843388865.db2.gz ZSMTVVWJAZUOGK-ZDUSSCGKSA-N -1 0 369.443 -0.400 20 0 FBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CC1CCOCC1 ZINC001119060114 838870515 /nfs/dbraw/zinc/87/05/15/838870515.db2.gz CEZLKZHLIGFDMD-LLVKDONJSA-N -1 0 355.434 -0.684 20 0 FBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CC1CCOCC1 ZINC001119060115 838870808 /nfs/dbraw/zinc/87/08/08/838870808.db2.gz CEZLKZHLIGFDMD-NSHDSACASA-N -1 0 355.434 -0.684 20 0 FBADRM CC(=O)C[C@@H](NS(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC001119060167 843400741 /nfs/dbraw/zinc/40/07/41/843400741.db2.gz CVLCPZDSGJTISV-GFCCVEGCSA-N -1 0 363.413 -0.058 20 0 FBADRM CC(=O)C[C@H](NS(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC001119060168 843401761 /nfs/dbraw/zinc/40/17/61/843401761.db2.gz CVLCPZDSGJTISV-LBPRGKRZSA-N -1 0 363.413 -0.058 20 0 FBADRM CCO[C@H](CS(=O)(=O)N[C@H](CN1CCOCC1)C(=O)[O-])C1CC1 ZINC001119060774 843401608 /nfs/dbraw/zinc/40/16/08/843401608.db2.gz HZZTVYSNPOGLJY-CHWSQXEVSA-N -1 0 350.437 -0.494 20 0 FBADRM CCO[C@@H](CS(=O)(=O)N[C@H](CN1CCOCC1)C(=O)[O-])C1CC1 ZINC001119060777 843401786 /nfs/dbraw/zinc/40/17/86/843401786.db2.gz HZZTVYSNPOGLJY-OLZOCXBDSA-N -1 0 350.437 -0.494 20 0 FBADRM CCO[C@H](CS(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)[O-])C1CC1 ZINC001119060779 843401658 /nfs/dbraw/zinc/40/16/58/843401658.db2.gz HZZTVYSNPOGLJY-QWHCGFSZSA-N -1 0 350.437 -0.494 20 0 FBADRM CCO[C@@H](CS(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)[O-])C1CC1 ZINC001119060783 843401664 /nfs/dbraw/zinc/40/16/64/843401664.db2.gz HZZTVYSNPOGLJY-STQMWFEESA-N -1 0 350.437 -0.494 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCC3(CC2)OCCO3)C[C@H]1C(F)F ZINC001119061131 843401625 /nfs/dbraw/zinc/40/16/25/843401625.db2.gz JKHLCGRGDMOZOW-NXEZZACHSA-N -1 0 370.374 -0.032 20 0 FBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC001119061586 843401577 /nfs/dbraw/zinc/40/15/77/843401577.db2.gz PEWKBMYYDCAKLI-LBPRGKRZSA-N -1 0 354.384 -0.364 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CCC1(F)F ZINC001119061804 843401717 /nfs/dbraw/zinc/40/17/17/843401717.db2.gz SQPCZVXADOOUAY-SECBINFHSA-N -1 0 361.388 -0.065 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CCC1(F)F ZINC001119061805 843401677 /nfs/dbraw/zinc/40/16/77/843401677.db2.gz SQPCZVXADOOUAY-VIFPVBQESA-N -1 0 361.388 -0.065 20 0 FBADRM CCOC1(CS(=O)(=O)N[C@H](Cc2ccncn2)C(=O)[O-])CCOCC1 ZINC001119061832 843401584 /nfs/dbraw/zinc/40/15/84/843401584.db2.gz UJUAYCWAQDOWNV-CYBMUJFWSA-N -1 0 373.431 -0.023 20 0 FBADRM CCOC1(CS(=O)(=O)N[C@@H](Cc2ccncn2)C(=O)[O-])CCOCC1 ZINC001119061833 843401552 /nfs/dbraw/zinc/40/15/52/843401552.db2.gz UJUAYCWAQDOWNV-ZDUSSCGKSA-N -1 0 373.431 -0.023 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC001119080531 843405374 /nfs/dbraw/zinc/40/53/74/843405374.db2.gz KGYOTWGZZOOOSY-GFCCVEGCSA-N -1 0 354.407 -0.826 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](N2CCCCC2=O)C1 ZINC001119080532 843405118 /nfs/dbraw/zinc/40/51/18/843405118.db2.gz KGYOTWGZZOOOSY-LBPRGKRZSA-N -1 0 354.407 -0.826 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001119081199 843405241 /nfs/dbraw/zinc/40/52/41/843405241.db2.gz QFMYYNXPZMCTGO-CYBMUJFWSA-N -1 0 353.350 -0.011 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC001119081200 843405437 /nfs/dbraw/zinc/40/54/37/843405437.db2.gz QFMYYNXPZMCTGO-ZDUSSCGKSA-N -1 0 353.350 -0.011 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(Cc2cc(C(=O)[O-])nn2C)CC1 ZINC001119097058 843408501 /nfs/dbraw/zinc/40/85/01/843408501.db2.gz SYMASCDQJZAYMY-UHFFFAOYSA-N -1 0 359.452 -0.178 20 0 FBADRM CN(C)C(=O)Cn1cnc(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)n1 ZINC001119147505 843415363 /nfs/dbraw/zinc/41/53/63/843415363.db2.gz SOIKKMVOMQTEPL-UHFFFAOYSA-N -1 0 367.391 -0.615 20 0 FBADRM CN(C)C(=O)CCNC(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001119168957 843418363 /nfs/dbraw/zinc/41/83/63/843418363.db2.gz NZBJMXBPYWSXRT-CYBMUJFWSA-N -1 0 366.340 -0.750 20 0 FBADRM CN(C)C(=O)CCNC(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001119168958 843418764 /nfs/dbraw/zinc/41/87/64/843418764.db2.gz NZBJMXBPYWSXRT-ZDUSSCGKSA-N -1 0 366.340 -0.750 20 0 FBADRM CC(C)(O)CCNC(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001119202011 843424931 /nfs/dbraw/zinc/42/49/31/843424931.db2.gz PUJXDHDZOFYDJR-CYBMUJFWSA-N -1 0 353.341 -0.067 20 0 FBADRM CC(C)(O)CCNC(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001119202012 843424662 /nfs/dbraw/zinc/42/46/62/843424662.db2.gz PUJXDHDZOFYDJR-ZDUSSCGKSA-N -1 0 353.341 -0.067 20 0 FBADRM C[C@H](C[S@@](C)=O)NC(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001119221715 843427552 /nfs/dbraw/zinc/42/75/52/843427552.db2.gz UGEWUYKEBBFXGK-JXCOGWLCSA-N -1 0 371.381 -0.461 20 0 FBADRM C[C@H](C[S@@](C)=O)NC(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001119221716 843427452 /nfs/dbraw/zinc/42/74/52/843427452.db2.gz UGEWUYKEBBFXGK-MXERATESSA-N -1 0 371.381 -0.461 20 0 FBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001119221717 843427526 /nfs/dbraw/zinc/42/75/26/843427526.db2.gz UGEWUYKEBBFXGK-RSOXTKTDSA-N -1 0 371.381 -0.461 20 0 FBADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001119221718 843427545 /nfs/dbraw/zinc/42/75/45/843427545.db2.gz UGEWUYKEBBFXGK-VCYSJNDCSA-N -1 0 371.381 -0.461 20 0 FBADRM COC[C@@H](CNC(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)OC ZINC001119228406 843428480 /nfs/dbraw/zinc/42/84/80/843428480.db2.gz ODTRDOXJJVNHFW-NOZJJQNGSA-N -1 0 369.340 -0.567 20 0 FBADRM COC[C@@H](CNC(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)OC ZINC001119228408 843428492 /nfs/dbraw/zinc/42/84/92/843428492.db2.gz ODTRDOXJJVNHFW-RNCFNFMXSA-N -1 0 369.340 -0.567 20 0 FBADRM COC[C@H](CNC(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)OC ZINC001119228409 843428774 /nfs/dbraw/zinc/42/87/74/843428774.db2.gz ODTRDOXJJVNHFW-TVQRCGJNSA-N -1 0 369.340 -0.567 20 0 FBADRM COC[C@H](CNC(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)OC ZINC001119228411 843428838 /nfs/dbraw/zinc/42/88/38/843428838.db2.gz ODTRDOXJJVNHFW-ZANVPECISA-N -1 0 369.340 -0.567 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001119245613 843430623 /nfs/dbraw/zinc/43/06/23/843430623.db2.gz SCKPTTVOZBBOTB-ZDUSSCGKSA-N -1 0 353.350 -0.011 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@H]2CCC3(CCC3)CO2)c(=O)n(C)c1=O ZINC001119373366 843443675 /nfs/dbraw/zinc/44/36/75/843443675.db2.gz AYKJMGONWZVMRS-LLVKDONJSA-N -1 0 357.432 -0.288 20 0 FBADRM Cn1cc(S(=O)(=O)NC[C@@H]2CCC3(CCC3)CO2)c(=O)n(C)c1=O ZINC001119373367 843443380 /nfs/dbraw/zinc/44/33/80/843443380.db2.gz AYKJMGONWZVMRS-NSHDSACASA-N -1 0 357.432 -0.288 20 0 FBADRM Cc1cc(=O)[nH]c(N2CCN(S(=O)(=O)N3CCCOCC3)CC2)n1 ZINC001119373755 843443699 /nfs/dbraw/zinc/44/36/99/843443699.db2.gz HMPMYADBDDBKSI-UHFFFAOYSA-N -1 0 357.436 -0.420 20 0 FBADRM Cn1cc(NC(=O)C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)nn1 ZINC001119380439 843443687 /nfs/dbraw/zinc/44/36/87/843443687.db2.gz XMYYPVUUTBPCQG-MRVPVSSYSA-N -1 0 362.312 -0.329 20 0 FBADRM Cn1cc(NC(=O)C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)nn1 ZINC001119380441 843443705 /nfs/dbraw/zinc/44/37/05/843443705.db2.gz XMYYPVUUTBPCQG-QMMMGPOBSA-N -1 0 362.312 -0.329 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC001119390702 843443307 /nfs/dbraw/zinc/44/33/07/843443307.db2.gz ZPGIIUNEPWGNKF-KRWDZBQOSA-N -1 0 355.435 -0.216 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC001119390704 843443290 /nfs/dbraw/zinc/44/32/90/843443290.db2.gz ZPGIIUNEPWGNKF-QGZVFWFLSA-N -1 0 355.435 -0.216 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)Cc2c(Br)cnn2C)c1 ZINC001119431762 843446174 /nfs/dbraw/zinc/44/61/74/843446174.db2.gz DXCACDZSPGDFJL-UHFFFAOYSA-N -1 0 362.209 -0.036 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)[N-][C@H](CCO)C(F)(F)F)CC1 ZINC001119436307 843446264 /nfs/dbraw/zinc/44/62/64/843446264.db2.gz YTAAIQWNXCVKFN-SECBINFHSA-N -1 0 363.358 -0.092 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)[N-][C@@H](CCO)C(F)(F)F)CC1 ZINC001119436309 843446002 /nfs/dbraw/zinc/44/60/02/843446002.db2.gz YTAAIQWNXCVKFN-VIFPVBQESA-N -1 0 363.358 -0.092 20 0 FBADRM O=C([N-]S(=O)(=O)CC[C@H]1CCCO1)[C@H]1COCCN1CC(F)F ZINC001119445172 843447513 /nfs/dbraw/zinc/44/75/13/843447513.db2.gz IHXHHWYCGCIKAU-GHMZBOCLSA-N -1 0 356.391 -0.033 20 0 FBADRM O=C([N-]S(=O)(=O)CC[C@H]1CCCO1)[C@@H]1COCCN1CC(F)F ZINC001119445173 843447364 /nfs/dbraw/zinc/44/73/64/843447364.db2.gz IHXHHWYCGCIKAU-MNOVXSKESA-N -1 0 356.391 -0.033 20 0 FBADRM O=C([N-]S(=O)(=O)CC[C@@H]1CCCO1)[C@@H]1COCCN1CC(F)F ZINC001119445174 843447349 /nfs/dbraw/zinc/44/73/49/843447349.db2.gz IHXHHWYCGCIKAU-QWRGUYRKSA-N -1 0 356.391 -0.033 20 0 FBADRM O=C([N-]S(=O)(=O)CC[C@@H]1CCCO1)[C@H]1COCCN1CC(F)F ZINC001119445175 839088019 /nfs/dbraw/zinc/08/80/19/839088019.db2.gz IHXHHWYCGCIKAU-WDEREUQCSA-N -1 0 356.391 -0.033 20 0 FBADRM C[C@H]1C(=O)N([N-]C(=O)c2n[nH]cc2I)C(=O)N1C ZINC001119523742 843454311 /nfs/dbraw/zinc/45/43/11/843454311.db2.gz XUOOJAHCIFDIED-BYPYZUCNSA-N -1 0 363.115 -0.058 20 0 FBADRM C[C@@H]1C(=O)N([N-]C(=O)c2n[nH]cc2I)C(=O)N1C ZINC001119523743 843454595 /nfs/dbraw/zinc/45/45/95/843454595.db2.gz XUOOJAHCIFDIED-SCSAIBSYSA-N -1 0 363.115 -0.058 20 0 FBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NCCCS(C)(=O)=O)cc2=O)n1 ZINC001119525274 843454196 /nfs/dbraw/zinc/45/41/96/843454196.db2.gz SOFRABXZZRSBDB-UHFFFAOYSA-N -1 0 353.404 -0.263 20 0 FBADRM CCN1CCO[C@H](C(=O)N2C[C@H](C(=O)[O-])C3(CC(C(=O)OC)C3)C2)C1 ZINC001119541123 843455754 /nfs/dbraw/zinc/45/57/54/843455754.db2.gz UCJVTGUFLZGLTE-HASVCBABSA-N -1 0 354.403 -0.181 20 0 FBADRM CCN1CCO[C@@H](C(=O)N2C[C@H](C(=O)[O-])C3(CC(C(=O)OC)C3)C2)C1 ZINC001119541125 843455686 /nfs/dbraw/zinc/45/56/86/843455686.db2.gz UCJVTGUFLZGLTE-SBUZTJRASA-N -1 0 354.403 -0.181 20 0 FBADRM CCN1CCO[C@H](C(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)OC)C3)C2)C1 ZINC001119541128 843455769 /nfs/dbraw/zinc/45/57/69/843455769.db2.gz UCJVTGUFLZGLTE-UDRCLVEDSA-N -1 0 354.403 -0.181 20 0 FBADRM CCN1CCO[C@@H](C(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)OC)C3)C2)C1 ZINC001119541130 843455481 /nfs/dbraw/zinc/45/54/81/843455481.db2.gz UCJVTGUFLZGLTE-XPFWZQFZSA-N -1 0 354.403 -0.181 20 0 FBADRM C[C@@](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)(C(=O)[O-])C1CC1 ZINC001119574112 843458891 /nfs/dbraw/zinc/45/88/91/843458891.db2.gz OKIZJHWIADJRNF-AWEZNQCLSA-N -1 0 362.452 -0.884 20 0 FBADRM C[C@](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)(C(=O)[O-])C1CC1 ZINC001119574113 843459061 /nfs/dbraw/zinc/45/90/61/843459061.db2.gz OKIZJHWIADJRNF-CQSZACIVSA-N -1 0 362.452 -0.884 20 0 FBADRM O=C([O-])C1(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CC1 ZINC001119574506 843459001 /nfs/dbraw/zinc/45/90/01/843459001.db2.gz DIEPGMJXXKKKNR-UHFFFAOYSA-N -1 0 360.432 -0.059 20 0 FBADRM CC(C)(C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1)S(=O)(=O)C1CC1 ZINC001119575419 843459302 /nfs/dbraw/zinc/45/93/02/843459302.db2.gz WWUWOXGHDFNAIX-INIZCTEOSA-N -1 0 374.459 -0.270 20 0 FBADRM CC(C)(C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1)S(=O)(=O)C1CC1 ZINC001119575420 843459313 /nfs/dbraw/zinc/45/93/13/843459313.db2.gz WWUWOXGHDFNAIX-MRXNPFEDSA-N -1 0 374.459 -0.270 20 0 FBADRM C[C@H](Cc1cnn(C)c1)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001119581671 843459198 /nfs/dbraw/zinc/45/91/98/843459198.db2.gz KXKPEAHBUJWADH-CXAGYDPISA-N -1 0 350.419 -0.013 20 0 FBADRM C[C@H](Cc1cnn(C)c1)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001119581672 843459124 /nfs/dbraw/zinc/45/91/24/843459124.db2.gz KXKPEAHBUJWADH-DYVFJYSZSA-N -1 0 350.419 -0.013 20 0 FBADRM C[C@@H](Cc1cnn(C)c1)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001119581673 843459029 /nfs/dbraw/zinc/45/90/29/843459029.db2.gz KXKPEAHBUJWADH-GUYCJALGSA-N -1 0 350.419 -0.013 20 0 FBADRM C[C@@H](Cc1cnn(C)c1)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001119581674 843458803 /nfs/dbraw/zinc/45/88/03/843458803.db2.gz KXKPEAHBUJWADH-SUMWQHHRSA-N -1 0 350.419 -0.013 20 0 FBADRM O=C([O-])c1cnn(CC(=O)NC[C@@]2(N3CCOCC3)CCSC2)c1 ZINC001119587778 843459847 /nfs/dbraw/zinc/45/98/47/843459847.db2.gz RGPQHYUGWXETEU-HNNXBMFYSA-N -1 0 354.432 -0.095 20 0 FBADRM O=C([O-])c1cnn(CC(=O)NC[C@]2(N3CCOCC3)CCSC2)c1 ZINC001119587780 843459953 /nfs/dbraw/zinc/45/99/53/843459953.db2.gz RGPQHYUGWXETEU-OAHLLOKOSA-N -1 0 354.432 -0.095 20 0 FBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cc2=O)n1 ZINC001119588683 843460430 /nfs/dbraw/zinc/46/04/30/843460430.db2.gz PIKMXPDKJHDIJJ-LLVKDONJSA-N -1 0 365.415 -0.168 20 0 FBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc2=O)n1 ZINC001119588686 843460614 /nfs/dbraw/zinc/46/06/14/843460614.db2.gz PIKMXPDKJHDIJJ-NSHDSACASA-N -1 0 365.415 -0.168 20 0 FBADRM CC(=O)N1CCC[C@H]1C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001119602867 843461643 /nfs/dbraw/zinc/46/16/43/843461643.db2.gz XQXRXZACFACDGN-JSGCOSHPSA-N -1 0 351.403 -0.079 20 0 FBADRM CC(=O)N1CCC[C@H]1C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001119602868 843462583 /nfs/dbraw/zinc/46/25/83/843462583.db2.gz XQXRXZACFACDGN-OCCSQVGLSA-N -1 0 351.403 -0.079 20 0 FBADRM CO[C@H](C(=O)[O-])C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC001119602877 843462802 /nfs/dbraw/zinc/46/28/02/843462802.db2.gz YCHGSEANEXJJKZ-AWEZNQCLSA-N -1 0 355.435 -0.073 20 0 FBADRM CO[C@@H](C(=O)[O-])C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC001119602878 843462669 /nfs/dbraw/zinc/46/26/69/843462669.db2.gz YCHGSEANEXJJKZ-CQSZACIVSA-N -1 0 355.435 -0.073 20 0 FBADRM O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001119606629 843462552 /nfs/dbraw/zinc/46/25/52/843462552.db2.gz JABFZRFLJITPTE-IHRRRGAJSA-N -1 0 353.419 -0.321 20 0 FBADRM O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001119606630 843462859 /nfs/dbraw/zinc/46/28/59/843462859.db2.gz JABFZRFLJITPTE-MGPQQGTHSA-N -1 0 353.419 -0.321 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001119630061 843465016 /nfs/dbraw/zinc/46/50/16/843465016.db2.gz WZNWMOBNBYFOJT-UHFFFAOYSA-N -1 0 363.465 -0.077 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)NC3(C(=O)[O-])CC3)CC2)cn1 ZINC001119635369 843464669 /nfs/dbraw/zinc/46/46/69/843464669.db2.gz OMAYJCGWQRMNKA-UHFFFAOYSA-N -1 0 371.419 -0.510 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC001119636133 843465620 /nfs/dbraw/zinc/46/56/20/843465620.db2.gz ZUSXAWVMXLJPSP-HNNXBMFYSA-N -1 0 361.464 -0.063 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC001119636134 843465749 /nfs/dbraw/zinc/46/57/49/843465749.db2.gz ZUSXAWVMXLJPSP-OAHLLOKOSA-N -1 0 361.464 -0.063 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC001119637647 843466068 /nfs/dbraw/zinc/46/60/68/843466068.db2.gz CMBJQYSSUYQNGP-KPALFNEHSA-N -1 0 353.375 -0.153 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC001119637648 843465970 /nfs/dbraw/zinc/46/59/70/843465970.db2.gz CMBJQYSSUYQNGP-XTQHVIMUSA-N -1 0 353.375 -0.153 20 0 FBADRM CO[C@H](C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1)c1cnn(C)c1 ZINC001119637717 843465762 /nfs/dbraw/zinc/46/57/62/843465762.db2.gz FRUKYUXKVVAINR-BBRMVZONSA-N -1 0 352.391 -0.505 20 0 FBADRM CO[C@@H](C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1)c1cnn(C)c1 ZINC001119637718 843465945 /nfs/dbraw/zinc/46/59/45/843465945.db2.gz FRUKYUXKVVAINR-CJNGLKHVSA-N -1 0 352.391 -0.505 20 0 FBADRM CO[C@@H](C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1)c1cnn(C)c1 ZINC001119637719 843465649 /nfs/dbraw/zinc/46/56/49/843465649.db2.gz FRUKYUXKVVAINR-CZUORRHYSA-N -1 0 352.391 -0.505 20 0 FBADRM CO[C@H](C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1)c1cnn(C)c1 ZINC001119637720 843465986 /nfs/dbraw/zinc/46/59/86/843465986.db2.gz FRUKYUXKVVAINR-XJKSGUPXSA-N -1 0 352.391 -0.505 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@](C)(C(=O)[O-])C1 ZINC001119644702 843465860 /nfs/dbraw/zinc/46/58/60/843465860.db2.gz GURJNBNDYOZQHI-FHIRATQRSA-N -1 0 356.419 -0.043 20 0 FBADRM CO[C@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@@](C)(C(=O)[O-])C1 ZINC001119644707 843465733 /nfs/dbraw/zinc/46/57/33/843465733.db2.gz GURJNBNDYOZQHI-VWPFQQQWSA-N -1 0 356.419 -0.043 20 0 FBADRM CO[C@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@](C)(C(=O)[O-])C1 ZINC001119644713 843465791 /nfs/dbraw/zinc/46/57/91/843465791.db2.gz GURJNBNDYOZQHI-WVZRYYJFSA-N -1 0 356.419 -0.043 20 0 FBADRM CO[C@@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@@](C)(C(=O)[O-])C1 ZINC001119644716 843465593 /nfs/dbraw/zinc/46/55/93/843465593.db2.gz GURJNBNDYOZQHI-XJIUQZFPSA-N -1 0 356.419 -0.043 20 0 FBADRM Cn1ncc2c1C[C@H](C(=O)N(CCN1CCOCC1)CC(=O)[O-])CC2 ZINC001119649922 843466756 /nfs/dbraw/zinc/46/67/56/843466756.db2.gz DSXZBLICKIDRLM-CYBMUJFWSA-N -1 0 350.419 -0.230 20 0 FBADRM Cn1ncc2c1C[C@@H](C(=O)N(CCN1CCOCC1)CC(=O)[O-])CC2 ZINC001119649923 843466923 /nfs/dbraw/zinc/46/69/23/843466923.db2.gz DSXZBLICKIDRLM-ZDUSSCGKSA-N -1 0 350.419 -0.230 20 0 FBADRM O=C([O-])COc1cccc(C(=O)N(CCO)CCN2CCOCC2)c1 ZINC001119650150 843466947 /nfs/dbraw/zinc/46/69/47/843466947.db2.gz NPHCJENAYASGPN-UHFFFAOYSA-N -1 0 352.387 -0.083 20 0 FBADRM O=C([O-])COc1ccc(C(=O)N(CCO)CCN2CCOCC2)cc1 ZINC001119650233 843467194 /nfs/dbraw/zinc/46/71/94/843467194.db2.gz QTWTVNBTROGZMS-UHFFFAOYSA-N -1 0 352.387 -0.083 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@H](c1ccccc1Cl)N(C)C ZINC001119664914 843468562 /nfs/dbraw/zinc/46/85/62/843468562.db2.gz ASAFTQPPLVSXEL-GFCCVEGCSA-N -1 0 356.810 -0.147 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@@H](c1ccccc1Cl)N(C)C ZINC001119664915 843468943 /nfs/dbraw/zinc/46/89/43/843468943.db2.gz ASAFTQPPLVSXEL-LBPRGKRZSA-N -1 0 356.810 -0.147 20 0 FBADRM O=C([O-])CN1CC[C@H](N2CCC(S(=O)(=O)N3CCCCC3)CC2)C1=O ZINC001119682385 843471398 /nfs/dbraw/zinc/47/13/98/843471398.db2.gz HLVCTOSZDPCJEW-AWEZNQCLSA-N -1 0 373.475 -0.048 20 0 FBADRM O=C([O-])CN1CC[C@@H](N2CCC(S(=O)(=O)N3CCCCC3)CC2)C1=O ZINC001119682386 843471563 /nfs/dbraw/zinc/47/15/63/843471563.db2.gz HLVCTOSZDPCJEW-CQSZACIVSA-N -1 0 373.475 -0.048 20 0 FBADRM CCOCCOC1CN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001119702723 843473497 /nfs/dbraw/zinc/47/34/97/843473497.db2.gz AODVOZJALGEQIJ-UONOGXRCSA-N -1 0 354.403 -0.181 20 0 FBADRM CN(CCN1CCOCC1)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001119703093 843473201 /nfs/dbraw/zinc/47/32/01/843473201.db2.gz JHARPAVQPAZOAL-UONOGXRCSA-N -1 0 353.419 -0.654 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(F)cc1Br ZINC001119717930 843475509 /nfs/dbraw/zinc/47/55/09/843475509.db2.gz VZZYHJOBXIIYFY-UHFFFAOYSA-N -1 0 362.155 -0.002 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC001119719875 843475777 /nfs/dbraw/zinc/47/57/77/843475777.db2.gz LFWMLTFBFCFOSZ-JTQLQIEISA-N -1 0 356.329 -0.547 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC001119719876 843475473 /nfs/dbraw/zinc/47/54/73/843475473.db2.gz LFWMLTFBFCFOSZ-SNVBAGLBSA-N -1 0 356.329 -0.547 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC(F)(F)c1cc(F)cc(F)c1 ZINC001119815397 843485252 /nfs/dbraw/zinc/48/52/52/843485252.db2.gz CODPAUCLZSFVMC-UHFFFAOYSA-N -1 0 351.256 -0.033 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC001119848587 843490638 /nfs/dbraw/zinc/49/06/38/843490638.db2.gz PGWKLBSUPYUPDT-UHFFFAOYSA-N -1 0 372.784 -0.079 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC001119848937 843490604 /nfs/dbraw/zinc/49/06/04/843490604.db2.gz SJPJBZRNVOPDLG-PEBVRCNWSA-N -1 0 353.419 -0.024 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCN(c2cccc(F)c2F)CC1 ZINC001119849253 843490700 /nfs/dbraw/zinc/49/07/00/843490700.db2.gz USDCFVCFRZIHPY-UHFFFAOYSA-N -1 0 356.329 -0.593 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC(F)(F)c1ccc(F)cc1F ZINC001119898077 843496788 /nfs/dbraw/zinc/49/67/88/843496788.db2.gz UXIAVZHWYJQFJH-UHFFFAOYSA-N -1 0 351.256 -0.033 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCN(c2ccc(F)cc2F)CC1 ZINC001119924670 843500402 /nfs/dbraw/zinc/50/04/02/843500402.db2.gz CKGLGCWBXYAOIJ-UHFFFAOYSA-N -1 0 356.329 -0.593 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCN(c2c(F)cccc2F)CC1 ZINC001119925741 843500384 /nfs/dbraw/zinc/50/03/84/843500384.db2.gz OVHQKTIWTHEVQD-UHFFFAOYSA-N -1 0 356.329 -0.593 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1cc(Br)cn1C ZINC001119925782 843500155 /nfs/dbraw/zinc/50/01/55/843500155.db2.gz PLLNSICHDCWAEV-UHFFFAOYSA-N -1 0 361.196 -0.460 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(c2nnnn2C[C@@H]2COCCO2)C1 ZINC001120041714 843507332 /nfs/dbraw/zinc/50/73/32/843507332.db2.gz ASOOQVFPODSETO-BXKDBHETSA-N -1 0 364.328 -0.264 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(c2nnnn2C[C@H]2COCCO2)C1 ZINC001120041715 843507196 /nfs/dbraw/zinc/50/71/96/843507196.db2.gz ASOOQVFPODSETO-CABZTGNLSA-N -1 0 364.328 -0.264 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(c2nnnn2C[C@H]2COCCO2)C1 ZINC001120041716 843507038 /nfs/dbraw/zinc/50/70/38/843507038.db2.gz ASOOQVFPODSETO-JOYOIKCWSA-N -1 0 364.328 -0.264 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(c2nnnn2C[C@@H]2COCCO2)C1 ZINC001120041717 843507314 /nfs/dbraw/zinc/50/73/14/843507314.db2.gz ASOOQVFPODSETO-SKDRFNHKSA-N -1 0 364.328 -0.264 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)c(Br)n1 ZINC001120088158 843510034 /nfs/dbraw/zinc/51/00/34/843510034.db2.gz YRRTUWSKFJOCIP-UHFFFAOYSA-N -1 0 367.225 -0.427 20 0 FBADRM COCCOCCn1nnnc1N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001120137894 843512726 /nfs/dbraw/zinc/51/27/26/843512726.db2.gz REXNUDOQTHNYBW-GFCCVEGCSA-N -1 0 366.344 -0.017 20 0 FBADRM COCCOCCn1nnnc1N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001120137895 843513819 /nfs/dbraw/zinc/51/38/19/843513819.db2.gz REXNUDOQTHNYBW-LBPRGKRZSA-N -1 0 366.344 -0.017 20 0 FBADRM COC[C@@H](Cn1nnnc1N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)OC ZINC001120196606 843517514 /nfs/dbraw/zinc/51/75/14/843517514.db2.gz CTSNPXNCUNOIJX-BXKDBHETSA-N -1 0 366.344 -0.018 20 0 FBADRM COC[C@H](Cn1nnnc1N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)OC ZINC001120196607 843517630 /nfs/dbraw/zinc/51/76/30/843517630.db2.gz CTSNPXNCUNOIJX-CABZTGNLSA-N -1 0 366.344 -0.018 20 0 FBADRM COC[C@H](Cn1nnnc1N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)OC ZINC001120196608 843517567 /nfs/dbraw/zinc/51/75/67/843517567.db2.gz CTSNPXNCUNOIJX-JOYOIKCWSA-N -1 0 366.344 -0.018 20 0 FBADRM COC[C@@H](Cn1nnnc1N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)OC ZINC001120196609 843517309 /nfs/dbraw/zinc/51/73/09/843517309.db2.gz CTSNPXNCUNOIJX-SKDRFNHKSA-N -1 0 366.344 -0.018 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N(C)[C@H](C)CN1CCOCC1 ZINC001120270504 843523722 /nfs/dbraw/zinc/52/37/22/843523722.db2.gz NNMNSJMBKBTHLK-CYBMUJFWSA-N -1 0 359.423 -0.885 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N(C)[C@@H](C)CN1CCOCC1 ZINC001120270505 843523511 /nfs/dbraw/zinc/52/35/11/843523511.db2.gz NNMNSJMBKBTHLK-ZDUSSCGKSA-N -1 0 359.423 -0.885 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCCC2)cc1 ZINC001120279595 843524280 /nfs/dbraw/zinc/52/42/80/843524280.db2.gz AFAZKTBGENWVKT-UHFFFAOYSA-N -1 0 369.399 -0.598 20 0 FBADRM COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001120801287 843577546 /nfs/dbraw/zinc/57/75/46/843577546.db2.gz GRXQYKRCJWWANR-MRVPVSSYSA-N -1 0 355.328 -0.659 20 0 FBADRM COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001120801288 843577215 /nfs/dbraw/zinc/57/72/15/843577215.db2.gz GRXQYKRCJWWANR-QMMMGPOBSA-N -1 0 355.328 -0.659 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)NC2CCN(CC(F)(F)F)CC2)CC1 ZINC001121811274 843592869 /nfs/dbraw/zinc/59/28/69/843592869.db2.gz XMRFUTSYXSTVRN-UHFFFAOYSA-N -1 0 366.340 -0.049 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)NC[C@@H]2CCCN2CC(F)(F)F)CC1 ZINC001121838935 843593730 /nfs/dbraw/zinc/59/37/30/843593730.db2.gz MNUJDKVRZZIPKR-JTQLQIEISA-N -1 0 366.340 -0.049 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)NC[C@H]2CCCN2CC(F)(F)F)CC1 ZINC001121838936 843593699 /nfs/dbraw/zinc/59/36/99/843593699.db2.gz MNUJDKVRZZIPKR-SNVBAGLBSA-N -1 0 366.340 -0.049 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001121892063 843594879 /nfs/dbraw/zinc/59/48/79/843594879.db2.gz IVXJIXNCFYCJPO-JTQLQIEISA-N -1 0 366.340 -0.191 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001121892064 843594902 /nfs/dbraw/zinc/59/49/02/843594902.db2.gz IVXJIXNCFYCJPO-SNVBAGLBSA-N -1 0 366.340 -0.191 20 0 FBADRM COCCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCO[C@@]2(CCSC2)C1 ZINC001122254807 843610780 /nfs/dbraw/zinc/61/07/80/843610780.db2.gz COASAMDCUDNJDV-HNNXBMFYSA-N -1 0 366.447 -0.139 20 0 FBADRM COCCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCO[C@]2(CCSC2)C1 ZINC001122254812 843610088 /nfs/dbraw/zinc/61/00/88/843610088.db2.gz COASAMDCUDNJDV-OAHLLOKOSA-N -1 0 366.447 -0.139 20 0 FBADRM COCCn1c(-c2cc(=O)n(C)[n-]2)nnc1N(C)C[C@@H]1COCCO1 ZINC001122306074 843611293 /nfs/dbraw/zinc/61/12/93/843611293.db2.gz APENZRRDDFPERJ-LLVKDONJSA-N -1 0 352.395 -0.118 20 0 FBADRM COCCn1c(-c2cc(=O)n(C)[n-]2)nnc1N(C)C[C@H]1COCCO1 ZINC001122306075 843611859 /nfs/dbraw/zinc/61/18/59/843611859.db2.gz APENZRRDDFPERJ-NSHDSACASA-N -1 0 352.395 -0.118 20 0 FBADRM COCCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC(OC)(C(F)(F)F)C1 ZINC001122343678 843614190 /nfs/dbraw/zinc/61/41/90/843614190.db2.gz YDRNYELGWHRSKE-UHFFFAOYSA-N -1 0 362.312 -0.084 20 0 FBADRM COC[C@@H](Cn1cncn1)OC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001122655154 843620501 /nfs/dbraw/zinc/62/05/01/843620501.db2.gz FQXDWFALMFAASF-LLVKDONJSA-N -1 0 355.376 -0.083 20 0 FBADRM COC[C@H](Cn1cncn1)OC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001122655158 843620703 /nfs/dbraw/zinc/62/07/03/843620703.db2.gz FQXDWFALMFAASF-NSHDSACASA-N -1 0 355.376 -0.083 20 0 FBADRM CN1CCN(c2nnc(-c3cc(=O)[nH][n-]3)n2Cc2cccs2)CC1=O ZINC001122934923 843626047 /nfs/dbraw/zinc/62/60/47/843626047.db2.gz GBPISGVXPAGIHA-UHFFFAOYSA-N -1 0 359.415 -0.110 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2nnc3n2CCOC3)cn1 ZINC001122977999 843625979 /nfs/dbraw/zinc/62/59/79/843625979.db2.gz QRFDYNLUMNIASV-UHFFFAOYSA-N -1 0 353.360 -0.068 20 0 FBADRM Cn1[n-]c(-c2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2C)cc1=O ZINC001123048712 843627229 /nfs/dbraw/zinc/62/72/29/843627229.db2.gz MKHXWEHGTLVOTH-JTQLQIEISA-N -1 0 369.451 -0.313 20 0 FBADRM Cn1[n-]c(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2C)cc1=O ZINC001123048715 843627322 /nfs/dbraw/zinc/62/73/22/843627322.db2.gz MKHXWEHGTLVOTH-SNVBAGLBSA-N -1 0 369.451 -0.313 20 0 FBADRM COCCN(CCF)c1nnc(-c2cc(=O)[nH][n-]2)n1C[C@H]1CCOC1 ZINC001123068662 843627037 /nfs/dbraw/zinc/62/70/37/843627037.db2.gz FCDUAFLQJXWHER-LLVKDONJSA-N -1 0 354.386 -0.039 20 0 FBADRM COCCN(CCF)c1nnc(-c2cc(=O)[nH][n-]2)n1C[C@@H]1CCOC1 ZINC001123068713 843627050 /nfs/dbraw/zinc/62/70/50/843627050.db2.gz FCDUAFLQJXWHER-NSHDSACASA-N -1 0 354.386 -0.039 20 0 FBADRM Cn1[n-]c(-c2nnc(N3CCS(=O)CC3)n2C[C@H]2CCOC2)cc1=O ZINC001123081801 843627257 /nfs/dbraw/zinc/62/72/57/843627257.db2.gz YKZXNZTZMFNFMX-LLVKDONJSA-N -1 0 366.447 -0.011 20 0 FBADRM Cn1[n-]c(-c2nnc(N3CCS(=O)CC3)n2C[C@@H]2CCOC2)cc1=O ZINC001123081803 843627325 /nfs/dbraw/zinc/62/73/25/843627325.db2.gz YKZXNZTZMFNFMX-NSHDSACASA-N -1 0 366.447 -0.011 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C2(CS(C)(=O)=O)COC2)C1 ZINC001123868974 843640288 /nfs/dbraw/zinc/64/02/88/843640288.db2.gz NTEQGNINEGTBSX-LLVKDONJSA-N -1 0 372.365 -0.283 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C2(CS(C)(=O)=O)COC2)C1 ZINC001123868979 843639841 /nfs/dbraw/zinc/63/98/41/843639841.db2.gz NTEQGNINEGTBSX-NSHDSACASA-N -1 0 372.365 -0.283 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN2CCOC[C@@]2(CO)C1 ZINC001123968529 843643311 /nfs/dbraw/zinc/64/33/11/843643311.db2.gz MXUDLEFBTWPSAD-INIZCTEOSA-N -1 0 369.443 -0.423 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN2CCOC[C@]2(CO)C1 ZINC001123968530 843643344 /nfs/dbraw/zinc/64/33/44/843643344.db2.gz MXUDLEFBTWPSAD-MRXNPFEDSA-N -1 0 369.443 -0.423 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CC(O)(c3cnnn3C)C2)c1 ZINC001123973329 843643046 /nfs/dbraw/zinc/64/30/46/843643046.db2.gz NLJIVVOCLPSHFR-DEOSSOPVSA-N -1 0 350.400 -0.339 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CC(O)(c3cnnn3C)C2)c1 ZINC001123973330 843643017 /nfs/dbraw/zinc/64/30/17/843643017.db2.gz NLJIVVOCLPSHFR-XMMPIXPASA-N -1 0 350.400 -0.339 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1=O ZINC001127165868 836900158 /nfs/dbraw/zinc/90/01/58/836900158.db2.gz QMGSJXCTCIHBOW-GFCCVEGCSA-N -1 0 358.464 -0.227 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1=O ZINC001127165870 836900329 /nfs/dbraw/zinc/90/03/29/836900329.db2.gz QMGSJXCTCIHBOW-LBPRGKRZSA-N -1 0 358.464 -0.227 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1=O ZINC001127248516 836975706 /nfs/dbraw/zinc/97/57/06/836975706.db2.gz QNHFCJOXSJVLCG-CYBMUJFWSA-N -1 0 358.464 -0.085 20 0 FBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC001128335224 837544898 /nfs/dbraw/zinc/54/48/98/837544898.db2.gz HVVKPMWXUNFVEL-JTQLQIEISA-N -1 0 353.404 -0.503 20 0 FBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC001128335228 837544859 /nfs/dbraw/zinc/54/48/59/837544859.db2.gz HVVKPMWXUNFVEL-SNVBAGLBSA-N -1 0 353.404 -0.503 20 0 FBADRM CCS(=O)(=O)C1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC001128522553 837674596 /nfs/dbraw/zinc/67/45/96/837674596.db2.gz BOANLPBSAJDDKZ-UHFFFAOYSA-N -1 0 353.404 -0.503 20 0 FBADRM CS(=O)(=O)c1cccnc1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001128655921 837698092 /nfs/dbraw/zinc/69/80/92/837698092.db2.gz UKPDJXPDMCKMHO-UHFFFAOYSA-N -1 0 362.371 -0.814 20 0 FBADRM CSCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001128672905 837701072 /nfs/dbraw/zinc/70/10/72/837701072.db2.gz XTJHZQQTSJXQOM-ZJUUUORDSA-N -1 0 352.424 -0.603 20 0 FBADRM CS[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001128746622 837714467 /nfs/dbraw/zinc/71/44/67/837714467.db2.gz CAXPCFPSDPAWLO-AEJSXWLSSA-N -1 0 352.424 -0.605 20 0 FBADRM CS[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001128746623 837715944 /nfs/dbraw/zinc/71/59/44/837715944.db2.gz CAXPCFPSDPAWLO-BBBLOLIVSA-N -1 0 352.424 -0.605 20 0 FBADRM CCSCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001128752342 837717425 /nfs/dbraw/zinc/71/74/25/837717425.db2.gz POSMHPUVBMJNQC-MNOVXSKESA-N -1 0 366.451 -0.213 20 0 FBADRM COCCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001128763412 837718295 /nfs/dbraw/zinc/71/82/95/837718295.db2.gz FERKHJLDOGYEJD-MNOVXSKESA-N -1 0 350.383 -0.930 20 0 FBADRM CC(C)SCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001128764171 837718654 /nfs/dbraw/zinc/71/86/54/837718654.db2.gz XCMAFFFQQPJPCV-MNOVXSKESA-N -1 0 366.451 -0.215 20 0 FBADRM CCCSCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001128775248 837719921 /nfs/dbraw/zinc/71/99/21/837719921.db2.gz OKXNGKCRCSMCMO-MNOVXSKESA-N -1 0 366.451 -0.213 20 0 FBADRM CCCOCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001128785184 837724249 /nfs/dbraw/zinc/72/42/49/837724249.db2.gz IRZCPJRRHRKDRO-MNOVXSKESA-N -1 0 350.383 -0.930 20 0 FBADRM O=C(CC(F)(F)F)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001128788740 837724113 /nfs/dbraw/zinc/72/41/13/837724113.db2.gz LZWZEKCJOAQGDD-SFYZADRCSA-N -1 0 360.300 -0.404 20 0 FBADRM CC(C)OCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001128789873 837723647 /nfs/dbraw/zinc/72/36/47/837723647.db2.gz XHZINAZLQCORLO-MNOVXSKESA-N -1 0 350.383 -0.932 20 0 FBADRM CO[C@@H](C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001128804084 837726623 /nfs/dbraw/zinc/72/66/23/837726623.db2.gz VUHZMFOLUCWUQS-AXFHLTTASA-N -1 0 350.383 -0.932 20 0 FBADRM CO[C@H](C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001128804085 837726096 /nfs/dbraw/zinc/72/60/96/837726096.db2.gz VUHZMFOLUCWUQS-MXWKQRLJSA-N -1 0 350.383 -0.932 20 0 FBADRM CCOCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001128811761 837726224 /nfs/dbraw/zinc/72/62/24/837726224.db2.gz CNNOZCHKFMHAAN-MNOVXSKESA-N -1 0 350.383 -0.930 20 0 FBADRM CC[C@@H](OC)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001128816546 837729182 /nfs/dbraw/zinc/72/91/82/837729182.db2.gz KHRUQYONGRNDCB-OUAUKWLOSA-N -1 0 350.383 -0.932 20 0 FBADRM CC[C@H](OC)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001128816547 837729304 /nfs/dbraw/zinc/72/93/04/837729304.db2.gz KHRUQYONGRNDCB-VWYCJHECSA-N -1 0 350.383 -0.932 20 0 FBADRM CSC[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001128821484 837728100 /nfs/dbraw/zinc/72/81/00/837728100.db2.gz VLAXGFPLIDLTQE-AXFHLTTASA-N -1 0 366.451 -0.357 20 0 FBADRM CSC[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001128821487 837728015 /nfs/dbraw/zinc/72/80/15/837728015.db2.gz VLAXGFPLIDLTQE-MXWKQRLJSA-N -1 0 366.451 -0.357 20 0 FBADRM CCOC(=O)c1cnc(NC(=O)CN2CCC[C@@H](C(=O)OC)C2=O)[n-]1 ZINC001128846543 837730512 /nfs/dbraw/zinc/73/05/12/837730512.db2.gz BNWDIGDDRWOQPT-SECBINFHSA-N -1 0 352.347 -0.064 20 0 FBADRM CCOC(=O)c1cnc(NC(=O)CN2CCC[C@H](C(=O)OC)C2=O)[n-]1 ZINC001128846544 837730419 /nfs/dbraw/zinc/73/04/19/837730419.db2.gz BNWDIGDDRWOQPT-VIFPVBQESA-N -1 0 352.347 -0.064 20 0 FBADRM CC[C@@H](SC)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001128897193 837734082 /nfs/dbraw/zinc/73/40/82/837734082.db2.gz DKGPPVONWGMKPP-OUAUKWLOSA-N -1 0 366.451 -0.215 20 0 FBADRM CC[C@H](SC)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001128897194 837734250 /nfs/dbraw/zinc/73/42/50/837734250.db2.gz DKGPPVONWGMKPP-VWYCJHECSA-N -1 0 366.451 -0.215 20 0 FBADRM CS[C@@H](C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001128925942 837737376 /nfs/dbraw/zinc/73/73/76/837737376.db2.gz UFJQDCYGYDBALS-AXFHLTTASA-N -1 0 366.451 -0.215 20 0 FBADRM CS[C@H](C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001128925943 837737321 /nfs/dbraw/zinc/73/73/21/837737321.db2.gz UFJQDCYGYDBALS-MXWKQRLJSA-N -1 0 366.451 -0.215 20 0 FBADRM CC(C)=C(F)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001128926194 837738232 /nfs/dbraw/zinc/73/82/32/837738232.db2.gz YSMCZYBPEHWBPT-ZJUUUORDSA-N -1 0 350.358 -0.093 20 0 FBADRM CCn1[n-]nnc1=NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001128978923 837742683 /nfs/dbraw/zinc/74/26/83/837742683.db2.gz QOMXLXQSRYJDBU-UHFFFAOYSA-N -1 0 366.403 -0.612 20 0 FBADRM CS(=O)(=O)C[C@@H]1CCCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001129063397 837757902 /nfs/dbraw/zinc/75/79/02/837757902.db2.gz MKWFEFLXTWIPJR-JTQLQIEISA-N -1 0 353.404 -0.503 20 0 FBADRM CS(=O)(=O)C[C@H]1CCCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001129063400 837757625 /nfs/dbraw/zinc/75/76/25/837757625.db2.gz MKWFEFLXTWIPJR-SNVBAGLBSA-N -1 0 353.404 -0.503 20 0 FBADRM O=C(CCC(F)F)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001129122908 837762657 /nfs/dbraw/zinc/76/26/57/837762657.db2.gz XIXYRBBCQISHQS-BDAKNGLRSA-N -1 0 356.337 -0.311 20 0 FBADRM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001129205617 837770606 /nfs/dbraw/zinc/77/06/06/837770606.db2.gz YCMRYJWOYPEZGK-JFGNBEQYSA-N -1 0 352.374 -0.362 20 0 FBADRM CC(C)[C@H](F)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001129205618 837770521 /nfs/dbraw/zinc/77/05/21/837770521.db2.gz YCMRYJWOYPEZGK-SCVCMEIPSA-N -1 0 352.374 -0.362 20 0 FBADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1)C1(CF)CC1 ZINC001129248620 837779196 /nfs/dbraw/zinc/77/91/96/837779196.db2.gz LIWCITFRIQJALR-ZJUUUORDSA-N -1 0 350.358 -0.607 20 0 FBADRM CC(F)(F)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1 ZINC001129262176 837780675 /nfs/dbraw/zinc/78/06/75/837780675.db2.gz OFVYPYUTRIVPFA-BDAKNGLRSA-N -1 0 356.337 -0.311 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)cn1 ZINC001129501252 839507976 /nfs/dbraw/zinc/50/79/76/839507976.db2.gz GGSREHNQRIUGQV-GHMZBOCLSA-N -1 0 354.388 -0.817 20 0 FBADRM CSCCC(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001129553198 839515780 /nfs/dbraw/zinc/51/57/80/839515780.db2.gz SZZSASOGFJNHFJ-ZJUUUORDSA-N -1 0 352.424 -0.603 20 0 FBADRM CC(C)SCC(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001129608426 839523232 /nfs/dbraw/zinc/52/32/32/839523232.db2.gz PVDAOIYKZUJHCO-MNOVXSKESA-N -1 0 366.451 -0.215 20 0 FBADRM CCSCCC(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001129613821 839524281 /nfs/dbraw/zinc/52/42/81/839524281.db2.gz YOVLDXHWQYYUEE-MNOVXSKESA-N -1 0 366.451 -0.213 20 0 FBADRM CCO[C@@H](C)C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001129617537 839524209 /nfs/dbraw/zinc/52/42/09/839524209.db2.gz BLEFBNDNMRXTQJ-AXFHLTTASA-N -1 0 350.383 -0.932 20 0 FBADRM CCO[C@H](C)C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001129617538 839524269 /nfs/dbraw/zinc/52/42/69/839524269.db2.gz BLEFBNDNMRXTQJ-MXWKQRLJSA-N -1 0 350.383 -0.932 20 0 FBADRM CCCSCC(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001129633540 839526495 /nfs/dbraw/zinc/52/64/95/839526495.db2.gz OKMWBNRZNYYMLH-MNOVXSKESA-N -1 0 366.451 -0.213 20 0 FBADRM CCCOCC(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001129657089 839531253 /nfs/dbraw/zinc/53/12/53/839531253.db2.gz XXTLENDHDWBFGI-MNOVXSKESA-N -1 0 350.383 -0.930 20 0 FBADRM CO[C@@H](C)CC(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001129659776 839527240 /nfs/dbraw/zinc/52/72/40/839527240.db2.gz UQPFITGBEHUEON-AXFHLTTASA-N -1 0 350.383 -0.932 20 0 FBADRM CO[C@H](C)CC(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001129659777 839527550 /nfs/dbraw/zinc/52/75/50/839527550.db2.gz UQPFITGBEHUEON-MXWKQRLJSA-N -1 0 350.383 -0.932 20 0 FBADRM COCCCC(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001129664701 839528225 /nfs/dbraw/zinc/52/82/25/839528225.db2.gz NWZVSFXXYYTFLY-MNOVXSKESA-N -1 0 350.383 -0.930 20 0 FBADRM CC(C)OCC(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001129667173 839528644 /nfs/dbraw/zinc/52/86/44/839528644.db2.gz QGRKXWJUNVXJEX-MNOVXSKESA-N -1 0 350.383 -0.932 20 0 FBADRM CCOCCC(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001129696321 839534094 /nfs/dbraw/zinc/53/40/94/839534094.db2.gz REWFDBLHUUGGHV-MNOVXSKESA-N -1 0 350.383 -0.930 20 0 FBADRM CSC[C@H](C)C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001129703946 839534886 /nfs/dbraw/zinc/53/48/86/839534886.db2.gz PIDOCUVZEBEJTO-AXFHLTTASA-N -1 0 366.451 -0.357 20 0 FBADRM CSC[C@@H](C)C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001129703947 839535688 /nfs/dbraw/zinc/53/56/88/839535688.db2.gz PIDOCUVZEBEJTO-MXWKQRLJSA-N -1 0 366.451 -0.357 20 0 FBADRM CS[C@@H](C)CC(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001129756800 839539638 /nfs/dbraw/zinc/53/96/38/839539638.db2.gz IRAJBHAYAKPNPJ-AXFHLTTASA-N -1 0 366.451 -0.215 20 0 FBADRM CS[C@H](C)CC(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001129756801 839539213 /nfs/dbraw/zinc/53/92/13/839539213.db2.gz IRAJBHAYAKPNPJ-MXWKQRLJSA-N -1 0 366.451 -0.215 20 0 FBADRM O=C(CCC(F)F)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001129934013 839557308 /nfs/dbraw/zinc/55/73/08/839557308.db2.gz KNVZIYWHJIJHKR-BDAKNGLRSA-N -1 0 356.337 -0.311 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCS(=O)(=O)C[C@@H]1C1CCC1 ZINC001130015124 839570240 /nfs/dbraw/zinc/57/02/40/839570240.db2.gz FVMPDTAECHBLRQ-GFCCVEGCSA-N -1 0 365.415 -0.503 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCS(=O)(=O)C[C@H]1C1CCC1 ZINC001130015127 839570504 /nfs/dbraw/zinc/57/05/04/839570504.db2.gz FVMPDTAECHBLRQ-LBPRGKRZSA-N -1 0 365.415 -0.503 20 0 FBADRM CN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)c1nnn[n-]1 ZINC001130969060 839661798 /nfs/dbraw/zinc/66/17/98/839661798.db2.gz IEOUVRCRBQDXSB-UHFFFAOYSA-N -1 0 353.408 -0.011 20 0 FBADRM Cc1ccc(C(=O)N(C)c2nnn[n-]2)cc1S(=O)(=O)N1CCOCC1 ZINC001130969725 839661941 /nfs/dbraw/zinc/66/19/41/839661941.db2.gz UEABXDCGEDXROS-UHFFFAOYSA-N -1 0 366.403 -0.194 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCC(C(=O)N(C)c3nnn[n-]3)CC2)cn1C ZINC001131169576 839673066 /nfs/dbraw/zinc/67/30/66/839673066.db2.gz KGGYSZLMRPCMCW-UHFFFAOYSA-N -1 0 368.423 -0.695 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1=O ZINC001131851438 839699248 /nfs/dbraw/zinc/69/92/48/839699248.db2.gz UPDUDPNQAQRIBT-GFCCVEGCSA-N -1 0 358.464 -0.085 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1=O ZINC001131851439 839698881 /nfs/dbraw/zinc/69/88/81/839698881.db2.gz UPDUDPNQAQRIBT-LBPRGKRZSA-N -1 0 358.464 -0.085 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@]23COC(=O)N2CCOC3)cn1 ZINC001132714137 839703852 /nfs/dbraw/zinc/70/38/52/839703852.db2.gz IWXIHPJYHNUSQQ-AWEZNQCLSA-N -1 0 370.387 -0.596 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@@]23COC(=O)N2CCOC3)cn1 ZINC001132714138 839703808 /nfs/dbraw/zinc/70/38/08/839703808.db2.gz IWXIHPJYHNUSQQ-CQSZACIVSA-N -1 0 370.387 -0.596 20 0 FBADRM Cn1ccn2c(CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)nnc2c1=O ZINC001133263823 839708165 /nfs/dbraw/zinc/70/81/65/839708165.db2.gz FFRIJVHPYXILJV-UHFFFAOYSA-N -1 0 360.296 -0.499 20 0 FBADRM CCOC(=O)c1[n-]c(NC(=O)c2cn(C)c(=O)n(C)c2=O)nc1Cl ZINC001133885011 839719569 /nfs/dbraw/zinc/71/95/69/839719569.db2.gz FVBPMEJHRSYAFJ-UHFFFAOYSA-N -1 0 355.738 -0.111 20 0 FBADRM COCCn1[n-]nnc1=NC(=O)c1ccc(CCNS(C)(=O)=O)cc1 ZINC001133987373 839725712 /nfs/dbraw/zinc/72/57/12/839725712.db2.gz PSKMECSFFHUKGW-UHFFFAOYSA-N -1 0 368.419 -0.915 20 0 FBADRM CO[N-]C(=O)CNC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC001134413871 839731832 /nfs/dbraw/zinc/73/18/32/839731832.db2.gz FCRYEJHAXKJMPD-UHFFFAOYSA-N -1 0 369.175 -0.047 20 0 FBADRM CO[N-]C(=O)CNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC001134414758 839731808 /nfs/dbraw/zinc/73/18/08/839731808.db2.gz RAOLKQQXWUTWOK-UHFFFAOYSA-N -1 0 372.399 -0.195 20 0 FBADRM CO[N-]C(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001134414958 839731188 /nfs/dbraw/zinc/73/11/88/839731188.db2.gz UBNJQDAJRTVBGR-UHFFFAOYSA-N -1 0 357.388 -0.885 20 0 FBADRM CO[N-]C(=O)CNC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 ZINC001134417318 839731317 /nfs/dbraw/zinc/73/13/17/839731317.db2.gz NVHMHLNLZHIUNS-HNNXBMFYSA-N -1 0 371.415 -0.765 20 0 FBADRM CO[N-]C(=O)CNC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 ZINC001134417320 839731578 /nfs/dbraw/zinc/73/15/78/839731578.db2.gz NVHMHLNLZHIUNS-OAHLLOKOSA-N -1 0 371.415 -0.765 20 0 FBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC001134417470 839731799 /nfs/dbraw/zinc/73/17/99/839731799.db2.gz QWFYSJTYTYFZBD-BXUZGUMPSA-N -1 0 351.407 -0.098 20 0 FBADRM CO[N-]C(=O)CNC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 ZINC001134417471 839731387 /nfs/dbraw/zinc/73/13/87/839731387.db2.gz QWFYSJTYTYFZBD-FZMZJTMJSA-N -1 0 351.407 -0.098 20 0 FBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 ZINC001134417472 839731781 /nfs/dbraw/zinc/73/17/81/839731781.db2.gz QWFYSJTYTYFZBD-RISCZKNCSA-N -1 0 351.407 -0.098 20 0 FBADRM CO[N-]C(=O)CNC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC001134417473 839733016 /nfs/dbraw/zinc/73/30/16/839733016.db2.gz QWFYSJTYTYFZBD-SMDDNHRTSA-N -1 0 351.407 -0.098 20 0 FBADRM CO[N-]C(=O)CNC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC001134634541 839734037 /nfs/dbraw/zinc/73/40/37/839734037.db2.gz HIYXDXGAHJRLQK-UHFFFAOYSA-N -1 0 355.152 -0.168 20 0 FBADRM CO[N-]C(=O)CNC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 ZINC001134634742 839733962 /nfs/dbraw/zinc/73/39/62/839733962.db2.gz KKHWYUIJDPQZAF-UHFFFAOYSA-N -1 0 363.417 -0.490 20 0 FBADRM CO[N-]C(=O)CNC(=O)c1cn([C@H]2CCS(=O)(=O)C2)nc1C(C)C ZINC001134635169 839733725 /nfs/dbraw/zinc/73/37/25/839733725.db2.gz RHDWXRFUYNVVGY-JTQLQIEISA-N -1 0 358.420 -0.227 20 0 FBADRM CO[N-]C(=O)CNC(=O)c1cn([C@@H]2CCS(=O)(=O)C2)nc1C(C)C ZINC001134635170 839733867 /nfs/dbraw/zinc/73/38/67/839733867.db2.gz RHDWXRFUYNVVGY-SNVBAGLBSA-N -1 0 358.420 -0.227 20 0 FBADRM CO[N-]C(=O)CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC001134635665 839733899 /nfs/dbraw/zinc/73/38/99/839733899.db2.gz YHYSJBIXCGBVEJ-HNNXBMFYSA-N -1 0 352.322 -0.614 20 0 FBADRM CO[N-]C(=O)CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC001134635666 839733969 /nfs/dbraw/zinc/73/39/69/839733969.db2.gz YHYSJBIXCGBVEJ-OAHLLOKOSA-N -1 0 352.322 -0.614 20 0 FBADRM CO[N-]C(=O)CNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC001134635700 839733892 /nfs/dbraw/zinc/73/38/92/839733892.db2.gz ZMJDHSMZSGUUSK-UHFFFAOYSA-N -1 0 370.412 -0.295 20 0 FBADRM COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001134748323 839735026 /nfs/dbraw/zinc/73/50/26/839735026.db2.gz JSQKRULMVHWJGW-GFCCVEGCSA-N -1 0 373.431 -0.827 20 0 FBADRM COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001134748324 839734421 /nfs/dbraw/zinc/73/44/21/839734421.db2.gz JSQKRULMVHWJGW-LBPRGKRZSA-N -1 0 373.431 -0.827 20 0 FBADRM CC(C)NC(=O)CN1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001135596681 839743086 /nfs/dbraw/zinc/74/30/86/839743086.db2.gz HFZRXXSMCJYHHL-UHFFFAOYSA-N -1 0 354.411 -0.862 20 0 FBADRM Cc1ccc([C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)N2CCOCC2)o1 ZINC001135780272 839745474 /nfs/dbraw/zinc/74/54/74/839745474.db2.gz YAZNXIHWQMZPSS-LLVKDONJSA-N -1 0 351.363 -0.220 20 0 FBADRM Cc1ccc([C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)N2CCOCC2)o1 ZINC001135780273 839745576 /nfs/dbraw/zinc/74/55/76/839745576.db2.gz YAZNXIHWQMZPSS-NSHDSACASA-N -1 0 351.363 -0.220 20 0 FBADRM CC[C@H](O)Cn1cc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)nn1 ZINC001135842355 839747588 /nfs/dbraw/zinc/74/75/88/839747588.db2.gz MOBLKEPAUMQGGM-JTQLQIEISA-N -1 0 350.379 -0.052 20 0 FBADRM CC[C@@H](O)Cn1cc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)nn1 ZINC001135842356 839748445 /nfs/dbraw/zinc/74/84/45/839748445.db2.gz MOBLKEPAUMQGGM-SNVBAGLBSA-N -1 0 350.379 -0.052 20 0 FBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CSC[C@H]1C(=O)NCC1CC1 ZINC001136049001 839750835 /nfs/dbraw/zinc/75/08/35/839750835.db2.gz YGXCXIVFCGLJDJ-JTQLQIEISA-N -1 0 355.420 -0.103 20 0 FBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CSC[C@@H]1C(=O)NCC1CC1 ZINC001136049002 839750930 /nfs/dbraw/zinc/75/09/30/839750930.db2.gz YGXCXIVFCGLJDJ-SNVBAGLBSA-N -1 0 355.420 -0.103 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001136120805 839752941 /nfs/dbraw/zinc/75/29/41/839752941.db2.gz HJFRRGKGXPELQC-UHFFFAOYSA-N -1 0 365.371 -0.571 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1=O ZINC001136150647 839755076 /nfs/dbraw/zinc/75/50/76/839755076.db2.gz ZDYIWHWWBYBZQN-UHFFFAOYSA-N -1 0 358.464 -0.085 20 0 FBADRM COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1nc[n-]c(=O)c1Br ZINC001136205989 839756775 /nfs/dbraw/zinc/75/67/75/839756775.db2.gz VHRBMDLCRJBHNX-LURJTMIESA-N -1 0 373.163 -0.552 20 0 FBADRM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1nc[n-]c(=O)c1Br ZINC001136205990 839756727 /nfs/dbraw/zinc/75/67/27/839756727.db2.gz VHRBMDLCRJBHNX-ZCFIWIBFSA-N -1 0 373.163 -0.552 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC001136218447 839757442 /nfs/dbraw/zinc/75/74/42/839757442.db2.gz RJXHINLSIUZQAS-UHFFFAOYSA-N -1 0 366.765 -0.082 20 0 FBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1s[n-]c(=O)c1Cl ZINC001136234945 839758694 /nfs/dbraw/zinc/75/86/94/839758694.db2.gz CCRFUJJKQNOMDF-LURJTMIESA-N -1 0 367.836 -0.123 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1s[n-]c(=O)c1Cl ZINC001136234946 839758681 /nfs/dbraw/zinc/75/86/81/839758681.db2.gz CCRFUJJKQNOMDF-ZCFIWIBFSA-N -1 0 367.836 -0.123 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC001136239716 839760102 /nfs/dbraw/zinc/76/01/02/839760102.db2.gz KJGJVZOTMLUBNK-UHFFFAOYSA-N -1 0 353.360 -0.132 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)cc1=O ZINC001136252051 839760702 /nfs/dbraw/zinc/76/07/02/839760702.db2.gz ZHEFOEAIYYONRD-GFCCVEGCSA-N -1 0 373.479 -0.593 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)cc1=O ZINC001136252052 839760962 /nfs/dbraw/zinc/76/09/62/839760962.db2.gz ZHEFOEAIYYONRD-LBPRGKRZSA-N -1 0 373.479 -0.593 20 0 FBADRM COCC(=O)N1CCN(C(=O)c2nc[n-]c(=O)c2Br)CC1 ZINC001136269923 839761595 /nfs/dbraw/zinc/76/15/95/839761595.db2.gz XBZFLGRRYSWADA-UHFFFAOYSA-N -1 0 359.180 -0.125 20 0 FBADRM COCCNS(=O)(=O)c1ccc(CNC(=O)CCc2nnn[n-]2)cc1 ZINC001136273246 839761724 /nfs/dbraw/zinc/76/17/24/839761724.db2.gz LVDPJBASVCIWPN-UHFFFAOYSA-N -1 0 368.419 -0.627 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC(N3CCNC3=O)CC2)c1 ZINC001136333533 839763988 /nfs/dbraw/zinc/76/39/88/839763988.db2.gz FRYWNLMJSLJEGT-UHFFFAOYSA-N -1 0 368.415 -0.331 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)CN2CCCCC(=O)C2=O)s1 ZINC001136359620 839765010 /nfs/dbraw/zinc/76/50/10/839765010.db2.gz PPMCGCDIIUMDLF-UHFFFAOYSA-N -1 0 361.405 -0.570 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001136633376 839778478 /nfs/dbraw/zinc/77/84/78/839778478.db2.gz LKIIHDMEWFSFJA-UHFFFAOYSA-N -1 0 368.419 -0.758 20 0 FBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CCCS(=O)(=O)CC1 ZINC001136699521 839782169 /nfs/dbraw/zinc/78/21/69/839782169.db2.gz BHWPAYKCJQNQRZ-UHFFFAOYSA-N -1 0 352.372 -0.473 20 0 FBADRM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCS(=O)(=O)N(C)C ZINC001136753021 839783515 /nfs/dbraw/zinc/78/35/15/839783515.db2.gz IDCLIAQASWRKKW-UHFFFAOYSA-N -1 0 355.420 -0.051 20 0 FBADRM O=C(CCc1nnn[n-]1)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC001136809427 839787830 /nfs/dbraw/zinc/78/78/30/839787830.db2.gz QJOLJRBTRQUHDJ-UHFFFAOYSA-N -1 0 352.367 -0.487 20 0 FBADRM Cc1nnc(CN2CCN(C(=O)CCCn3c(=O)[n-][nH]c3=O)CC2)[nH]1 ZINC001136947643 839792945 /nfs/dbraw/zinc/79/29/45/839792945.db2.gz KCDQTHZWZCUPQW-UHFFFAOYSA-N -1 0 350.383 -0.760 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCN(C)C(=O)CCc2nnn[n-]2)cc1 ZINC001137040320 839800665 /nfs/dbraw/zinc/80/06/65/839800665.db2.gz IGNUGAPTTYTPHQ-UHFFFAOYSA-N -1 0 352.420 -0.122 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)c1[O-] ZINC001137130994 841773986 /nfs/dbraw/zinc/77/39/86/841773986.db2.gz UICBWJNQRDPDTO-UHFFFAOYSA-N -1 0 360.436 -0.064 20 0 FBADRM COCCOCC(=O)NC1CCC(C(=O)NCc2n[nH]c(=O)[n-]2)CC1 ZINC001137240146 841783901 /nfs/dbraw/zinc/78/39/01/841783901.db2.gz TTZXUQKFATWBHD-UHFFFAOYSA-N -1 0 355.395 -0.536 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC001137314993 842160144 /nfs/dbraw/zinc/16/01/44/842160144.db2.gz SZZRRWVOFRJMNW-UHFFFAOYSA-N -1 0 373.313 -0.881 20 0 FBADRM CC(=O)N1CC[C@H](CN(C)C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC001137553035 843653442 /nfs/dbraw/zinc/65/34/42/843653442.db2.gz JYGHJZQGSPZYRW-LLVKDONJSA-N -1 0 355.416 -0.020 20 0 FBADRM CC(=O)N1CC[C@@H](CN(C)C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC001137553036 839673447 /nfs/dbraw/zinc/67/34/47/839673447.db2.gz JYGHJZQGSPZYRW-NSHDSACASA-N -1 0 355.416 -0.020 20 0 FBADRM C[C@@H](CO[N-]C(=O)CN(C)S(=O)(=O)N(C)C)NC(=O)OC(C)(C)C ZINC001137598363 837818337 /nfs/dbraw/zinc/81/83/37/837818337.db2.gz JJAHIVIFKZULPZ-JTQLQIEISA-N -1 0 368.456 -0.314 20 0 FBADRM C[C@H](CO[N-]C(=O)CN(C)S(=O)(=O)N(C)C)NC(=O)OC(C)(C)C ZINC001137598364 837818601 /nfs/dbraw/zinc/81/86/01/837818601.db2.gz JJAHIVIFKZULPZ-SNVBAGLBSA-N -1 0 368.456 -0.314 20 0 FBADRM COC1(C(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)CS(=O)(=O)C1 ZINC001137598446 843654059 /nfs/dbraw/zinc/65/40/59/843654059.db2.gz LLWAVBHNDIKJNJ-SECBINFHSA-N -1 0 352.409 -0.239 20 0 FBADRM COC1(C(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)CS(=O)(=O)C1 ZINC001137598447 843654396 /nfs/dbraw/zinc/65/43/96/843654396.db2.gz LLWAVBHNDIKJNJ-VIFPVBQESA-N -1 0 352.409 -0.239 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001137693164 843656595 /nfs/dbraw/zinc/65/65/95/843656595.db2.gz WMQMSROMGDGNTF-UHFFFAOYSA-N -1 0 371.419 -0.480 20 0 FBADRM O=C(NCc1nc(=O)o[n-]1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC001137741144 843656399 /nfs/dbraw/zinc/65/63/99/843656399.db2.gz YBDWHYNRLSBISI-LLVKDONJSA-N -1 0 352.372 -0.168 20 0 FBADRM NS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2COCCN2CC(F)F)c1 ZINC001137775233 843657221 /nfs/dbraw/zinc/65/72/21/843657221.db2.gz ULGKALJOVHZRRM-JTQLQIEISA-N -1 0 365.358 -0.056 20 0 FBADRM NS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2COCCN2CC(F)F)c1 ZINC001137775234 843657490 /nfs/dbraw/zinc/65/74/90/843657490.db2.gz ULGKALJOVHZRRM-SNVBAGLBSA-N -1 0 365.358 -0.056 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CCNC(=O)CO)c1 ZINC001137775356 843657431 /nfs/dbraw/zinc/65/74/31/843657431.db2.gz WJDCMDORLHMAEP-UHFFFAOYSA-N -1 0 373.431 -0.140 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC001137799575 843657658 /nfs/dbraw/zinc/65/76/58/843657658.db2.gz CXVCKQQMZJWFMX-LLVKDONJSA-N -1 0 373.435 -0.458 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC001137799576 843657581 /nfs/dbraw/zinc/65/75/81/843657581.db2.gz CXVCKQQMZJWFMX-NSHDSACASA-N -1 0 373.435 -0.458 20 0 FBADRM COC1(C(=O)Nc2ccc(F)cc2NS(C)(=O)=O)CS(=O)(=O)C1 ZINC001137819174 843657693 /nfs/dbraw/zinc/65/76/93/843657693.db2.gz LWDUPKFDADSVDJ-UHFFFAOYSA-N -1 0 366.392 -0.051 20 0 FBADRM NC(=O)CO[N-]C(=O)Cn1nc(Br)c(Br)n1 ZINC001137887486 843659724 /nfs/dbraw/zinc/65/97/24/843659724.db2.gz JLYYWUDHOZWXKP-UHFFFAOYSA-N -1 0 356.962 -0.664 20 0 FBADRM COc1ccc(OC)c(CN(CCO)C(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001137935016 843659481 /nfs/dbraw/zinc/65/94/81/843659481.db2.gz AVZXQPQWDZGPDX-UHFFFAOYSA-N -1 0 352.347 -0.272 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC(NC(=O)CCc3nnn[n-]3)C2)cc1 ZINC001137943396 843659579 /nfs/dbraw/zinc/65/95/79/843659579.db2.gz AAVJVLZQEQFKRE-UHFFFAOYSA-N -1 0 366.403 -0.670 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC001138089764 843661456 /nfs/dbraw/zinc/66/14/56/843661456.db2.gz LZWMLCXYFMPNEJ-UHFFFAOYSA-N -1 0 352.326 -0.624 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CC[C@H](CO)[C@H](O)C1 ZINC001138190686 843664172 /nfs/dbraw/zinc/66/41/72/843664172.db2.gz GXXQPMLPUYZFGK-BXKDBHETSA-N -1 0 364.370 -0.555 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001138190687 843664057 /nfs/dbraw/zinc/66/40/57/843664057.db2.gz GXXQPMLPUYZFGK-CABZTGNLSA-N -1 0 364.370 -0.555 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CC[C@@H](CO)[C@H](O)C1 ZINC001138190688 843664206 /nfs/dbraw/zinc/66/42/06/843664206.db2.gz GXXQPMLPUYZFGK-JOYOIKCWSA-N -1 0 364.370 -0.555 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CC[C@H](CO)[C@@H](O)C1 ZINC001138190689 843664135 /nfs/dbraw/zinc/66/41/35/843664135.db2.gz GXXQPMLPUYZFGK-SKDRFNHKSA-N -1 0 364.370 -0.555 20 0 FBADRM CC(C)(C)c1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nc2ncnn21 ZINC001138192099 843664145 /nfs/dbraw/zinc/66/41/45/843664145.db2.gz FCVWKVUSLIHQAT-UHFFFAOYSA-N -1 0 368.419 -0.383 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1cccnc1Br ZINC001138193383 842013744 /nfs/dbraw/zinc/01/37/44/842013744.db2.gz AADFQBNTTGBVER-UHFFFAOYSA-N -1 0 364.221 -0.031 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc2c(c1)C(=O)NCCO2 ZINC001138193404 843663692 /nfs/dbraw/zinc/66/36/92/843663692.db2.gz ARAWNHVYVGJBIC-UHFFFAOYSA-N -1 0 355.372 -0.996 20 0 FBADRM Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001138193498 843664039 /nfs/dbraw/zinc/66/40/39/843664039.db2.gz FBMDJZAVTYUIRT-UHFFFAOYSA-N -1 0 374.419 -0.429 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(-n2cc[nH]c2=O)cc1 ZINC001138193735 843664108 /nfs/dbraw/zinc/66/41/08/843664108.db2.gz MRLRZPQPSGOQOF-UHFFFAOYSA-N -1 0 352.372 -0.226 20 0 FBADRM CCOC(=O)C1(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)CCOCC1 ZINC001138193738 843663755 /nfs/dbraw/zinc/66/37/55/843663755.db2.gz MWHFQQQKDUSECC-UHFFFAOYSA-N -1 0 364.420 -0.682 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCN1CSCCSC1 ZINC001138193767 843663672 /nfs/dbraw/zinc/66/36/72/843663672.db2.gz ODYVZXWJNMPCJN-UHFFFAOYSA-N -1 0 355.507 -0.344 20 0 FBADRM COc1ccc(-n2cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nn2)cc1 ZINC001138193796 843663650 /nfs/dbraw/zinc/66/36/50/843663650.db2.gz PARPOFDSKFYDAA-UHFFFAOYSA-N -1 0 367.387 -0.528 20 0 FBADRM CCn1cc(Br)c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC001138193818 843663875 /nfs/dbraw/zinc/66/38/75/843663875.db2.gz QAGLFRNERCTCKO-UHFFFAOYSA-N -1 0 367.225 -0.139 20 0 FBADRM CN(CCCC(=O)NCCC(=O)[N-]S(C)(=O)=O)C(=O)c1ccncc1 ZINC001138194089 843663821 /nfs/dbraw/zinc/66/38/21/843663821.db2.gz YWZNVIHIMIHLQL-UHFFFAOYSA-N -1 0 370.431 -0.484 20 0 FBADRM O=C(CN1CCCCS1(=O)=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001138244919 843664721 /nfs/dbraw/zinc/66/47/21/843664721.db2.gz PEAMRTGUMACBBV-UHFFFAOYSA-N -1 0 352.376 -0.268 20 0 FBADRM O=C([C@H]1CCC(=O)N1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001138388999 843667491 /nfs/dbraw/zinc/66/74/91/843667491.db2.gz AXFOFSVORAGRMV-SECBINFHSA-N -1 0 372.369 -0.758 20 0 FBADRM COC(=O)CC(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001138389786 843666938 /nfs/dbraw/zinc/66/69/38/843666938.db2.gz QOAKJHURKFGGFL-UHFFFAOYSA-N -1 0 361.342 -0.473 20 0 FBADRM O=C([C@@H](O)C1CC1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001138394801 843666953 /nfs/dbraw/zinc/66/69/53/843666953.db2.gz GEOALHZWGOLQEW-JTQLQIEISA-N -1 0 359.370 -0.265 20 0 FBADRM O=C([C@H](O)C1CC1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001138394803 843666989 /nfs/dbraw/zinc/66/69/89/843666989.db2.gz GEOALHZWGOLQEW-SNVBAGLBSA-N -1 0 359.370 -0.265 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)N2CCSC[C@@H]2c2nnn[n-]2)CC1 ZINC001138436673 843668550 /nfs/dbraw/zinc/66/85/50/843668550.db2.gz AHQVBQPPSRFGRQ-LLVKDONJSA-N -1 0 374.492 -0.122 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)N2CCSC[C@H]2c2nnn[n-]2)CC1 ZINC001138436674 843668467 /nfs/dbraw/zinc/66/84/67/843668467.db2.gz AHQVBQPPSRFGRQ-NSHDSACASA-N -1 0 374.492 -0.122 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N2CCSC[C@H]2c2nnn[n-]2)C1 ZINC001138438176 843668400 /nfs/dbraw/zinc/66/84/00/843668400.db2.gz QTMHLNHYEGFNHC-UWVGGRQHSA-N -1 0 360.465 -0.512 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)N2CCSC[C@@H]2c2nnn[n-]2)C1 ZINC001138438177 843668716 /nfs/dbraw/zinc/66/87/16/843668716.db2.gz QTMHLNHYEGFNHC-VHSXEESVSA-N -1 0 360.465 -0.512 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)c(F)c1 ZINC001138438233 843668364 /nfs/dbraw/zinc/66/83/64/843668364.db2.gz SIBSFSDAXJMFAG-JTQLQIEISA-N -1 0 372.407 -0.084 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)c(F)c1 ZINC001138438234 843668738 /nfs/dbraw/zinc/66/87/38/843668738.db2.gz SIBSFSDAXJMFAG-SNVBAGLBSA-N -1 0 372.407 -0.084 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC001138438699 843668179 /nfs/dbraw/zinc/66/81/79/843668179.db2.gz YLSLEEKEBJAPCH-AXFHLTTASA-N -1 0 362.415 -0.233 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001138438702 843667946 /nfs/dbraw/zinc/66/79/46/843667946.db2.gz YLSLEEKEBJAPCH-OUAUKWLOSA-N -1 0 362.415 -0.233 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)s1 ZINC001138438807 843668294 /nfs/dbraw/zinc/66/82/94/843668294.db2.gz ZZUDGZRRUNCNBI-LURJTMIESA-N -1 0 360.446 -0.161 20 0 FBADRM NS(=O)(=O)c1ccc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)s1 ZINC001138438808 843668660 /nfs/dbraw/zinc/66/86/60/843668660.db2.gz ZZUDGZRRUNCNBI-ZCFIWIBFSA-N -1 0 360.446 -0.161 20 0 FBADRM COC(=O)C(C)(C)N1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001138547647 843668104 /nfs/dbraw/zinc/66/81/04/843668104.db2.gz PUKSRLLPWAEOKB-UHFFFAOYSA-N -1 0 355.395 -0.435 20 0 FBADRM O=C(c1ncc(Br)cn1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001138990985 843671344 /nfs/dbraw/zinc/67/13/44/843671344.db2.gz HDGNBQJDXJYGJH-UHFFFAOYSA-N -1 0 354.168 -0.124 20 0 FBADRM Cn1ncc(Br)c1CC(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001138991377 843671726 /nfs/dbraw/zinc/67/17/26/843671726.db2.gz NOLLTIJIWCEORS-UHFFFAOYSA-N -1 0 370.211 -0.252 20 0 FBADRM CN(C)C(=O)C1CCC(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CC1 ZINC001138991542 843671367 /nfs/dbraw/zinc/67/13/67/843671367.db2.gz QJCPHCDTFOJXMH-UHFFFAOYSA-N -1 0 350.423 -0.096 20 0 FBADRM NC(=O)C1(O)CCN(C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)CC1 ZINC001139145569 843673543 /nfs/dbraw/zinc/67/35/43/843673543.db2.gz JKSGIDCTDBQAJN-UHFFFAOYSA-N -1 0 363.292 -0.090 20 0 FBADRM COC(=O)[C@H]1C(=O)NCCN1Cc1cccc(OC)c1OCC(=O)[O-] ZINC001139272359 843674466 /nfs/dbraw/zinc/67/44/66/843674466.db2.gz QMOKIPXLENZAHK-CYBMUJFWSA-N -1 0 352.343 -0.368 20 0 FBADRM COC(=O)[C@@H]1C(=O)NCCN1Cc1cccc(OC)c1OCC(=O)[O-] ZINC001139272360 843674444 /nfs/dbraw/zinc/67/44/44/843674444.db2.gz QMOKIPXLENZAHK-ZDUSSCGKSA-N -1 0 352.343 -0.368 20 0 FBADRM O=C(C[C@@H]1CS(=O)(=O)c2ccccc2O1)NCCc1nc(=O)o[n-]1 ZINC001139477567 843675346 /nfs/dbraw/zinc/67/53/46/843675346.db2.gz RITRXWODOWOJHZ-SECBINFHSA-N -1 0 353.356 -0.353 20 0 FBADRM O=C(C[C@H]1CS(=O)(=O)c2ccccc2O1)NCCc1nc(=O)o[n-]1 ZINC001139477568 843675281 /nfs/dbraw/zinc/67/52/81/843675281.db2.gz RITRXWODOWOJHZ-VIFPVBQESA-N -1 0 353.356 -0.353 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCn2c(nnc2C(F)F)C1 ZINC001139612802 843677111 /nfs/dbraw/zinc/67/71/11/843677111.db2.gz YJNMYURLOSFXOL-UHFFFAOYSA-N -1 0 350.289 -0.357 20 0 FBADRM COC(=O)CNC(=O)CNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001139690532 843677182 /nfs/dbraw/zinc/67/71/82/843677182.db2.gz HYDNZXVUPNKNCC-UHFFFAOYSA-N -1 0 350.306 -0.264 20 0 FBADRM CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)NC[C@@H](O)C(N)=O ZINC001139827616 843678511 /nfs/dbraw/zinc/67/85/11/843678511.db2.gz CLEGIQHNWVMXMB-CYBMUJFWSA-N -1 0 351.384 -0.213 20 0 FBADRM CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)NC[C@H](O)C(N)=O ZINC001139827617 843678613 /nfs/dbraw/zinc/67/86/13/843678613.db2.gz CLEGIQHNWVMXMB-ZDUSSCGKSA-N -1 0 351.384 -0.213 20 0 FBADRM CS(=O)(=O)C1(CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)CCC1 ZINC001139903601 843679321 /nfs/dbraw/zinc/67/93/21/843679321.db2.gz DTLJAZJHCXUEIC-UHFFFAOYSA-N -1 0 350.404 -0.228 20 0 FBADRM Cc1ccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])c(=O)n1C ZINC001139985214 843679179 /nfs/dbraw/zinc/67/91/79/843679179.db2.gz CIQKDFOBXJACAO-UHFFFAOYSA-N -1 0 351.384 -0.023 20 0 FBADRM CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)CCc2nnn[n-]2)CC1 ZINC001140253803 843681585 /nfs/dbraw/zinc/68/15/85/843681585.db2.gz DSXSOBVJGTXZMB-UHFFFAOYSA-N -1 0 359.408 -0.899 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H](C)C1 ZINC001140325379 843681282 /nfs/dbraw/zinc/68/12/82/843681282.db2.gz LBYGJAYTESFTSI-SNVBAGLBSA-N -1 0 361.424 -0.648 20 0 FBADRM NC(=O)CC(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1 ZINC001140661125 843683755 /nfs/dbraw/zinc/68/37/55/843683755.db2.gz RSJVDRZWNYMCDM-SKDRFNHKSA-N -1 0 351.325 -0.064 20 0 FBADRM O=C(NC[C@@]1(O)CCS(=O)(=O)C1)c1nn(-c2ccccc2)cc1[O-] ZINC001140885417 843685918 /nfs/dbraw/zinc/68/59/18/843685918.db2.gz QZJUXYOMWNDGNP-HNNXBMFYSA-N -1 0 351.384 -0.143 20 0 FBADRM O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1nn(-c2ccccc2)cc1[O-] ZINC001140885420 843685850 /nfs/dbraw/zinc/68/58/50/843685850.db2.gz QZJUXYOMWNDGNP-OAHLLOKOSA-N -1 0 351.384 -0.143 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001141204118 843689447 /nfs/dbraw/zinc/68/94/47/843689447.db2.gz NLRLBWODKZZETD-PHIMTYICSA-N -1 0 351.384 -0.207 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC(C3CS(=O)(=O)C3)C2)c1 ZINC001141257250 843690565 /nfs/dbraw/zinc/69/05/65/843690565.db2.gz WMIVXSUZVPLVOE-UHFFFAOYSA-N -1 0 360.413 -0.844 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)c(C)o1 ZINC001141326197 843691593 /nfs/dbraw/zinc/69/15/93/843691593.db2.gz JMJVHHYKEGTSKL-UHFFFAOYSA-N -1 0 370.387 -0.690 20 0 FBADRM CN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001141347827 843691576 /nfs/dbraw/zinc/69/15/76/843691576.db2.gz MDYDTMZYMBXBMB-GFCCVEGCSA-N -1 0 365.419 -0.819 20 0 FBADRM CN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001141347828 843691420 /nfs/dbraw/zinc/69/14/20/843691420.db2.gz MDYDTMZYMBXBMB-LBPRGKRZSA-N -1 0 365.419 -0.819 20 0 FBADRM O=C(CCc1nnn[n-]1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001141353879 843691195 /nfs/dbraw/zinc/69/11/95/843691195.db2.gz XDQXNTDGCJWFCE-UHFFFAOYSA-N -1 0 350.404 -0.335 20 0 FBADRM CNS(=O)(=O)C1CCN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)CC1 ZINC001141522654 843695000 /nfs/dbraw/zinc/69/50/00/843695000.db2.gz OPPRZEUZFPDGDX-UHFFFAOYSA-N -1 0 358.464 -0.085 20 0 FBADRM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001141608444 843695828 /nfs/dbraw/zinc/69/58/28/843695828.db2.gz YCIMVAHZYYPDNU-JTQLQIEISA-N -1 0 361.424 -0.743 20 0 FBADRM CS(=O)(=O)NC[C@H]1CCCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001141608445 843695532 /nfs/dbraw/zinc/69/55/32/843695532.db2.gz YCIMVAHZYYPDNU-SNVBAGLBSA-N -1 0 361.424 -0.743 20 0 FBADRM CCS(=O)(=O)NC1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001141645615 843696587 /nfs/dbraw/zinc/69/65/87/843696587.db2.gz JLACBWAHDYNRQD-UHFFFAOYSA-N -1 0 353.404 -0.434 20 0 FBADRM NS(=O)(=O)c1ccc(N2CCN(C(=O)CCc3nnn[n-]3)CC2)cc1 ZINC001141669327 843697225 /nfs/dbraw/zinc/69/72/25/843697225.db2.gz MOWQHJNOGOEUGD-UHFFFAOYSA-N -1 0 365.419 -0.872 20 0 FBADRM O=C(NC1CCS(=O)(=O)CC1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001141686598 843697949 /nfs/dbraw/zinc/69/79/49/843697949.db2.gz ZDENVBRIBBSLNW-UHFFFAOYSA-N -1 0 352.372 -0.427 20 0 FBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NC3CCS(=O)(=O)CC3)cc2=O)n1 ZINC001141688496 843698079 /nfs/dbraw/zinc/69/80/79/843698079.db2.gz UUPLZOGOAFUBHW-UHFFFAOYSA-N -1 0 365.415 -0.121 20 0 FBADRM CCOC(=O)c1cnc(NC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)[n-]1 ZINC001141838119 836299445 /nfs/dbraw/zinc/29/94/45/836299445.db2.gz CERMMQAAAWBMAU-UHFFFAOYSA-N -1 0 368.375 -0.331 20 0 FBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)Cn2cccnc2=O)cc1 ZINC001141953950 843702390 /nfs/dbraw/zinc/70/23/90/843702390.db2.gz DZHKNGUBEGOHMH-UHFFFAOYSA-N -1 0 364.383 -0.500 20 0 FBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Cn2cccnc2=O)cc1 ZINC001141954642 843702298 /nfs/dbraw/zinc/70/22/98/843702298.db2.gz XXIXXQCWNNFHJA-UHFFFAOYSA-N -1 0 366.355 -0.073 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)Cc1ccc(F)cn1 ZINC001142012880 843704039 /nfs/dbraw/zinc/70/40/39/843704039.db2.gz RMFZAKIMHGRNKC-UHFFFAOYSA-N -1 0 358.311 -0.874 20 0 FBADRM O=C(CCNC(=O)Cc1cscn1)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001142044863 843704591 /nfs/dbraw/zinc/70/45/91/843704591.db2.gz DECWBTSKIIEUFU-NSHDSACASA-N -1 0 351.388 -0.273 20 0 FBADRM C[C@]1(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)CCCS1(=O)=O ZINC001142063081 843705893 /nfs/dbraw/zinc/70/58/93/843705893.db2.gz FADMYZIRHBDFAN-SECBINFHSA-N -1 0 354.435 -0.185 20 0 FBADRM C[C@@]1(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)CCCS1(=O)=O ZINC001142063082 843705748 /nfs/dbraw/zinc/70/57/48/843705748.db2.gz FADMYZIRHBDFAN-VIFPVBQESA-N -1 0 354.435 -0.185 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)s1 ZINC001142063534 843705579 /nfs/dbraw/zinc/70/55/79/843705579.db2.gz VYIHAPPNJMFVFJ-LURJTMIESA-N -1 0 354.435 -0.327 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)C[C@H]2CCS(=O)(=O)C2)s1 ZINC001142063535 843705871 /nfs/dbraw/zinc/70/58/71/843705871.db2.gz VYIHAPPNJMFVFJ-ZCFIWIBFSA-N -1 0 354.435 -0.327 20 0 FBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CN2CC(=O)NC2=O)cc1 ZINC001142091731 843706951 /nfs/dbraw/zinc/70/69/51/843706951.db2.gz YFWZXYMMAGXLKZ-UHFFFAOYSA-N -1 0 370.343 -0.778 20 0 FBADRM O=C(CNC(=O)c1cccnc1)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001142110539 843706605 /nfs/dbraw/zinc/70/66/05/843706605.db2.gz UGVRCJWMJPBWEF-UHFFFAOYSA-N -1 0 360.351 -0.118 20 0 FBADRM Cc1noc(C)c1CC(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001142197930 843708417 /nfs/dbraw/zinc/70/84/17/843708417.db2.gz AGSMWIYAQOTJMQ-UHFFFAOYSA-N -1 0 358.336 -0.804 20 0 FBADRM C[C@H]1[C@H](NC(=O)CN2CCc3sccc3C2)C(=O)N1S(=O)(=O)[O-] ZINC001142223930 843709090 /nfs/dbraw/zinc/70/90/90/843709090.db2.gz QRPUMUGIBKUTFU-UFBFGSQYSA-N -1 0 359.429 -0.376 20 0 FBADRM Cc1cc(CCC(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)ccn1 ZINC001142248678 843709827 /nfs/dbraw/zinc/70/98/27/843709827.db2.gz KIZQGIMMVVHWFD-UHFFFAOYSA-N -1 0 368.375 -0.315 20 0 FBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NCCS(=O)(=O)C3CC3)cc2=O)n1 ZINC001142255872 843710369 /nfs/dbraw/zinc/71/03/69/843710369.db2.gz ONLDPILBOJUXDH-UHFFFAOYSA-N -1 0 365.415 -0.121 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)/C=C/c1ccccn1 ZINC001142290527 843709861 /nfs/dbraw/zinc/70/98/61/843709861.db2.gz HZCXZSWQJBBOQB-ZMXGKCDHSA-N -1 0 352.332 -0.543 20 0 FBADRM Cc1cn(CC(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)c(=O)[nH]c1=O ZINC001142317878 843710062 /nfs/dbraw/zinc/71/00/62/843710062.db2.gz CQCLJXYRSABSFJ-UHFFFAOYSA-N -1 0 364.339 -0.672 20 0 FBADRM Cn1c2ncn(CC(=O)Nc3cc(=O)[n-]c(Cl)n3)c2c(=O)n(C)c1=O ZINC001142385036 843712158 /nfs/dbraw/zinc/71/21/58/843712158.db2.gz QROCMIUEBDCOII-UHFFFAOYSA-N -1 0 365.737 -0.779 20 0 FBADRM C[C@H]1[C@H](NC(=O)CCn2c(=O)oc3ccccc32)C(=O)N1S(=O)(=O)[O-] ZINC001142445559 843713004 /nfs/dbraw/zinc/71/30/04/843713004.db2.gz FXOPJBUBNRGUIR-UFBFGSQYSA-N -1 0 369.355 -0.497 20 0 FBADRM COc1ncc(/C=C/C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c(OC)n1 ZINC001142453914 843712825 /nfs/dbraw/zinc/71/28/25/843712825.db2.gz RCDDGFDALKBDQW-GSVUYMBVSA-N -1 0 372.359 -0.975 20 0 FBADRM CS(=O)(=O)CCC(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1 ZINC001142532736 836506873 /nfs/dbraw/zinc/50/68/73/836506873.db2.gz GMEFXJFIGRXSOZ-UHFFFAOYSA-N -1 0 362.429 -0.322 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCN(Cc3cn[nH]c3)CC2)c1 ZINC001142589885 836536061 /nfs/dbraw/zinc/53/60/61/836536061.db2.gz VRZZMTPTXDNWDW-UHFFFAOYSA-N -1 0 365.415 -0.279 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)C1(F)CCOCC1 ZINC001142613396 836539354 /nfs/dbraw/zinc/53/93/54/836539354.db2.gz FRKUFLKOQPVOTF-NSHDSACASA-N -1 0 356.354 -0.453 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)C(=O)c1ccccc1 ZINC001142683511 843716150 /nfs/dbraw/zinc/71/61/50/843716150.db2.gz LSMFVBQJRZNQTC-UHFFFAOYSA-N -1 0 353.316 -0.768 20 0 FBADRM COc1cccc(CC(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001142841832 843718986 /nfs/dbraw/zinc/71/89/86/843718986.db2.gz KBZHSVYDDJRBEW-UHFFFAOYSA-N -1 0 369.359 -0.400 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)Cc1cccc(O)c1 ZINC001142847348 843718997 /nfs/dbraw/zinc/71/89/97/843718997.db2.gz WFQMDVQETSAPRW-UHFFFAOYSA-N -1 0 355.332 -0.703 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(=O)n(CCO)c2)cn1 ZINC001142893326 843719281 /nfs/dbraw/zinc/71/92/81/843719281.db2.gz KTCDNEWGRRTDJO-UHFFFAOYSA-N -1 0 352.372 -0.141 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)c1nc[n-]c(=O)c1Br ZINC001142924138 843720079 /nfs/dbraw/zinc/72/00/79/843720079.db2.gz BKIUWXZEVANYMM-UHFFFAOYSA-N -1 0 353.198 -0.386 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001142924496 843719894 /nfs/dbraw/zinc/71/98/94/843719894.db2.gz IDWRUIMJQOAPCD-UHFFFAOYSA-N -1 0 368.419 -0.758 20 0 FBADRM C[C@H]1[C@H](NC(=O)CCc2ccc3c(c2)OCO3)C(=O)N1S(=O)(=O)[O-] ZINC001142982016 843720641 /nfs/dbraw/zinc/72/06/41/843720641.db2.gz FJRIDDHMMMMUMB-SDBXPKJASA-N -1 0 356.356 -0.134 20 0 FBADRM CC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001143032250 843722018 /nfs/dbraw/zinc/72/20/18/843722018.db2.gz NGRLFBXVFODJEK-KOLCDFICSA-N -1 0 353.356 -0.961 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001143072725 843722982 /nfs/dbraw/zinc/72/29/82/843722982.db2.gz RCNKZSRXLIYDOO-LBPRGKRZSA-N -1 0 372.399 -0.204 20 0 FBADRM CO[C@H](C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N)c1ccccc1 ZINC001143098701 837536047 /nfs/dbraw/zinc/53/60/47/837536047.db2.gz SZBOJJPAERXLDK-VIFPVBQESA-N -1 0 369.359 -0.264 20 0 FBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001143202149 843723524 /nfs/dbraw/zinc/72/35/24/843723524.db2.gz DXQNWXRMCVYLAR-AWEZNQCLSA-N -1 0 352.372 -0.948 20 0 FBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001143202150 843723540 /nfs/dbraw/zinc/72/35/40/843723540.db2.gz DXQNWXRMCVYLAR-CQSZACIVSA-N -1 0 352.372 -0.948 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)COCc1ccccc1 ZINC001143206619 843724662 /nfs/dbraw/zinc/72/46/62/843724662.db2.gz NYFGMWOZBQRJJP-UHFFFAOYSA-N -1 0 369.359 -0.434 20 0 FBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)CN2CCCC2=O)cc1 ZINC001143247874 843724724 /nfs/dbraw/zinc/72/47/24/843724724.db2.gz MNALAZJMBDYWKC-UHFFFAOYSA-N -1 0 353.400 -0.134 20 0 FBADRM CC1CCC2(CC1)NC(=O)N(CC(=O)N(C)Cc1nc(=O)o[n-]1)C2=O ZINC001143360763 839801503 /nfs/dbraw/zinc/80/15/03/839801503.db2.gz HWVNXTBGYDXXEC-UHFFFAOYSA-N -1 0 351.363 -0.178 20 0 FBADRM COc1cc(OC)cc(C(=O)NCC(=O)N(C)Cc2nc(=O)o[n-]2)c1 ZINC001143361242 839801655 /nfs/dbraw/zinc/80/16/55/839801655.db2.gz UHZFIRJHKICDOF-UHFFFAOYSA-N -1 0 350.331 -0.232 20 0 FBADRM CN(Cc1nc(=O)o[n-]1)C(=O)Cc1ccc(S(=O)(=O)CCO)cc1 ZINC001143361382 839801873 /nfs/dbraw/zinc/80/18/73/839801873.db2.gz YRYFDSSVQRLLNK-UHFFFAOYSA-N -1 0 355.372 -0.670 20 0 FBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H](CO)NC(=O)OCc1ccccc1 ZINC001143361414 839801377 /nfs/dbraw/zinc/80/13/77/839801377.db2.gz ZXBPTQFUCMFAIM-LLVKDONJSA-N -1 0 350.331 -0.391 20 0 FBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@H](CO)NC(=O)OCc1ccccc1 ZINC001143361415 839801753 /nfs/dbraw/zinc/80/17/53/839801753.db2.gz ZXBPTQFUCMFAIM-NSHDSACASA-N -1 0 350.331 -0.391 20 0 FBADRM COc1nccn(C(=O)C(=O)[O-])c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001143415377 836018263 /nfs/dbraw/zinc/01/82/63/836018263.db2.gz IGWWOODVXHCRIH-UHFFFAOYSA-N -1 0 352.328 -0.512 20 0 FBADRM COc1ccc(N(C(=O)C(=O)[O-])S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001143415517 836019009 /nfs/dbraw/zinc/01/90/09/836019009.db2.gz LLVZUKATOQILEI-UHFFFAOYSA-N -1 0 352.328 -0.126 20 0 FBADRM Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(=O)C(=O)[O-])C3)nn1 ZINC001143418461 836020737 /nfs/dbraw/zinc/02/07/37/836020737.db2.gz BPSRPRPCIXXRGT-BLLLJJGKSA-N -1 0 350.375 -0.084 20 0 FBADRM Cc1ccc(NC[C@H]2CO[C@]3(C2)COCCN(C(=O)C(=O)[O-])C3)nn1 ZINC001143418462 836020549 /nfs/dbraw/zinc/02/05/49/836020549.db2.gz BPSRPRPCIXXRGT-LRDDRELGSA-N -1 0 350.375 -0.084 20 0 FBADRM Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)C(=O)[O-])C3)nn1 ZINC001143418463 836020438 /nfs/dbraw/zinc/02/04/38/836020438.db2.gz BPSRPRPCIXXRGT-MLGOLLRUSA-N -1 0 350.375 -0.084 20 0 FBADRM Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)C(=O)[O-])C3)nn1 ZINC001143418464 836020844 /nfs/dbraw/zinc/02/08/44/836020844.db2.gz BPSRPRPCIXXRGT-WBMJQRKESA-N -1 0 350.375 -0.084 20 0 FBADRM COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)C(=O)[O-])CC2 ZINC001143418862 836020729 /nfs/dbraw/zinc/02/07/29/836020729.db2.gz FZSVGLPHTLOXHZ-LLVKDONJSA-N -1 0 360.432 -0.107 20 0 FBADRM COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)C(=O)[O-])CC2 ZINC001143418863 836020644 /nfs/dbraw/zinc/02/06/44/836020644.db2.gz FZSVGLPHTLOXHZ-NSHDSACASA-N -1 0 360.432 -0.107 20 0 FBADRM Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)C(=O)[O-])C2 ZINC001143419089 836020754 /nfs/dbraw/zinc/02/07/54/836020754.db2.gz JPOAZWBDSCTIKJ-GFCCVEGCSA-N -1 0 352.391 -0.721 20 0 FBADRM Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)C(=O)[O-])C2 ZINC001143419093 836020884 /nfs/dbraw/zinc/02/08/84/836020884.db2.gz JPOAZWBDSCTIKJ-LBPRGKRZSA-N -1 0 352.391 -0.721 20 0 FBADRM O=C([O-])C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001143419309 836020597 /nfs/dbraw/zinc/02/05/97/836020597.db2.gz JYFMDJXNPXCBEW-XUJVJEKNSA-N -1 0 367.383 -0.950 20 0 FBADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)C(=O)[O-])C[C@]21CCNC1=O ZINC001143419455 836020531 /nfs/dbraw/zinc/02/05/31/836020531.db2.gz NCJURWZORXTCGH-INIZCTEOSA-N -1 0 353.375 -0.343 20 0 FBADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)C(=O)[O-])C[C@@]21CCNC1=O ZINC001143419457 836020856 /nfs/dbraw/zinc/02/08/56/836020856.db2.gz NCJURWZORXTCGH-MRXNPFEDSA-N -1 0 353.375 -0.343 20 0 FBADRM CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)C(=O)[O-])CCC2 ZINC001143419734 836020906 /nfs/dbraw/zinc/02/09/06/836020906.db2.gz PNDKPAMMKDAVEL-UHFFFAOYSA-N -1 0 350.375 -0.278 20 0 FBADRM O=C([O-])C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001143420078 836020610 /nfs/dbraw/zinc/02/06/10/836020610.db2.gz RBMFEIDXXSCPQM-UHFFFAOYSA-N -1 0 351.363 -0.766 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCNC(=O)C(=O)[O-])CC1 ZINC001143420604 836020488 /nfs/dbraw/zinc/02/04/88/836020488.db2.gz KWZLTLSXYWPNSB-UHFFFAOYSA-N -1 0 365.408 -0.930 20 0 FBADRM CCOC(=O)[C@H](NC(=O)C(=O)[O-])[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001143422375 836021916 /nfs/dbraw/zinc/02/19/16/836021916.db2.gz AWSSZOFXUZEPTK-MNOVXSKESA-N -1 0 359.356 -0.744 20 0 FBADRM CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C(=O)[O-])C(N)=O ZINC001143429188 836022333 /nfs/dbraw/zinc/02/23/33/836022333.db2.gz JDWNNNFVHGSHLJ-NEPJUHHUSA-N -1 0 351.359 -0.870 20 0 FBADRM COc1ccc(OC)c(CC(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1 ZINC001143495666 836057084 /nfs/dbraw/zinc/05/70/84/836057084.db2.gz CNPNGZSNULMKFE-SDBXPKJASA-N -1 0 358.372 -0.235 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2[C@H](CO)CC[C@H]2CO)c1 ZINC001143562323 836171561 /nfs/dbraw/zinc/17/15/61/836171561.db2.gz MQTMSHRXKZGMBJ-QWRGUYRKSA-N -1 0 358.416 -0.400 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](O)Cc1ccc(O)c(OC)c1 ZINC001143602497 836507891 /nfs/dbraw/zinc/50/78/91/836507891.db2.gz NAUXJSISQMSCDD-CMPLNLGQSA-N -1 0 355.343 -0.173 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](O)Cc1ccc(O)c(OC)c1 ZINC001143602498 836507294 /nfs/dbraw/zinc/50/72/94/836507294.db2.gz NAUXJSISQMSCDD-JQWIXIFHSA-N -1 0 355.343 -0.173 20 0 FBADRM CCS(=O)(=O)CCNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001143662261 839802659 /nfs/dbraw/zinc/80/26/59/839802659.db2.gz ABUFLGCXLNEHNK-UHFFFAOYSA-N -1 0 353.404 -0.263 20 0 FBADRM CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)NCc1nnn[n-]1 ZINC001143974282 839821028 /nfs/dbraw/zinc/82/10/28/839821028.db2.gz HVJLPLHCJJTNFB-SECBINFHSA-N -1 0 353.408 -0.191 20 0 FBADRM CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)NCc1nnn[n-]1 ZINC001143974283 839820669 /nfs/dbraw/zinc/82/06/69/839820669.db2.gz HVJLPLHCJJTNFB-VIFPVBQESA-N -1 0 353.408 -0.191 20 0 FBADRM CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)NCc3nnn[n-]3)CCC2)C1 ZINC001143974287 839820771 /nfs/dbraw/zinc/82/07/71/839820771.db2.gz IAQNZIGWGSHCCA-UHFFFAOYSA-N -1 0 352.395 -0.032 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)Nc1cnn(CCN2CCOCC2)c1 ZINC001144136008 839826506 /nfs/dbraw/zinc/82/65/06/839826506.db2.gz WSQCBXDRRZBIEA-UHFFFAOYSA-N -1 0 353.408 -0.230 20 0 FBADRM CN1CCN([C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)c2cccs2)CC1 ZINC001144186124 839828736 /nfs/dbraw/zinc/82/87/36/839828736.db2.gz TYKICANAYCYMFL-LLVKDONJSA-N -1 0 366.447 -0.144 20 0 FBADRM CN1CCN([C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)c2cccs2)CC1 ZINC001144186130 839829162 /nfs/dbraw/zinc/82/91/62/839829162.db2.gz TYKICANAYCYMFL-NSHDSACASA-N -1 0 366.447 -0.144 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)CCC(=O)C1CC1 ZINC001144230249 839828522 /nfs/dbraw/zinc/82/85/22/839828522.db2.gz OXLFXVOEDXYGOR-LBPRGKRZSA-N -1 0 350.375 -0.213 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)Cc1ccccc1O ZINC001144254164 839830208 /nfs/dbraw/zinc/83/02/08/839830208.db2.gz YZGFABYJBWAVEO-UHFFFAOYSA-N -1 0 355.332 -0.703 20 0 FBADRM C[C@@]1(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)C[C@@H]2C=C[C@H]1C2 ZINC001144271775 839831180 /nfs/dbraw/zinc/83/11/80/839831180.db2.gz HZSFRRJHEBGPPK-DDZXGWPLSA-N -1 0 355.376 -0.049 20 0 FBADRM C[C@]1(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)C[C@@H]2C=C[C@H]1C2 ZINC001144271776 839831492 /nfs/dbraw/zinc/83/14/92/839831492.db2.gz HZSFRRJHEBGPPK-HHSDFAELSA-N -1 0 355.376 -0.049 20 0 FBADRM O=C(CN1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1)N1CCCC1 ZINC001144285502 839833518 /nfs/dbraw/zinc/83/35/18/839833518.db2.gz ODCLNELQIHYTJC-UHFFFAOYSA-N -1 0 350.379 -0.947 20 0 FBADRM COC(=O)NC(=S)N(C(=O)[C@@H]1CC(=O)NC(=O)N1)c1ccccc1N ZINC001144333931 839836187 /nfs/dbraw/zinc/83/61/87/839836187.db2.gz NXZVOPFCSNRFCL-QMMMGPOBSA-N -1 0 365.371 -0.159 20 0 FBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1 ZINC001144334257 839836665 /nfs/dbraw/zinc/83/66/65/839836665.db2.gz UUFKQNFTISIZCR-VIFPVBQESA-N -1 0 370.343 -0.732 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)CC1CCC(O)CC1 ZINC001144339563 839837313 /nfs/dbraw/zinc/83/73/13/839837313.db2.gz MLJSOKOTDOMPOM-UHFFFAOYSA-N -1 0 361.380 -0.710 20 0 FBADRM CN1CCN(C(=O)N2CCN(C(=O)CCCc3nnn[n-]3)CC2)CC1 ZINC001144359822 839837410 /nfs/dbraw/zinc/83/74/10/839837410.db2.gz YRWSWIBJZOGXBB-UHFFFAOYSA-N -1 0 350.427 -0.966 20 0 FBADRM Cc1nc(N2CCN(C(=O)c3ccc([N-]S(C)(=O)=O)nc3)CC2)n[nH]1 ZINC001144464412 839862806 /nfs/dbraw/zinc/86/28/06/839862806.db2.gz OFGOGHYTWFHADA-UHFFFAOYSA-N -1 0 365.419 -0.158 20 0 FBADRM C[C@@H](Oc1ccccc1)C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001144490959 839870892 /nfs/dbraw/zinc/87/08/92/839870892.db2.gz MHRDRJSXUJTUOI-SSDOTTSWSA-N -1 0 369.359 -0.184 20 0 FBADRM C[C@H](Oc1ccccc1)C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001144490960 839870511 /nfs/dbraw/zinc/87/05/11/839870511.db2.gz MHRDRJSXUJTUOI-ZETCQYMHSA-N -1 0 369.359 -0.184 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)CCc1ccccc1O ZINC001144508264 839873261 /nfs/dbraw/zinc/87/32/61/839873261.db2.gz PCCQTIOGTBIVHG-UHFFFAOYSA-N -1 0 369.359 -0.313 20 0 FBADRM Cc1ccccc1[C@@H](O)C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001144522236 839874533 /nfs/dbraw/zinc/87/45/33/839874533.db2.gz BOTPQNFUZLOXLB-SECBINFHSA-N -1 0 369.359 -0.609 20 0 FBADRM Cc1ccccc1[C@H](O)C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001144522237 839875115 /nfs/dbraw/zinc/87/51/15/839875115.db2.gz BOTPQNFUZLOXLB-VIFPVBQESA-N -1 0 369.359 -0.609 20 0 FBADRM CC(C)(Br)C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001144545664 839874986 /nfs/dbraw/zinc/87/49/86/839874986.db2.gz DPJKPUJSJLTBPS-UHFFFAOYSA-N -1 0 370.185 -0.478 20 0 FBADRM NS(=O)(=O)CCCC(=O)NCCNC(=O)C(F)(F)Br ZINC001144600289 839880670 /nfs/dbraw/zinc/88/06/70/839880670.db2.gz UBKUNVRNJWPFSI-UHFFFAOYSA-N -1 0 366.184 -0.725 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)Cc1ccc(O)c(F)c1 ZINC001144617671 839882241 /nfs/dbraw/zinc/88/22/41/839882241.db2.gz RNTLOKISCGYPBH-UHFFFAOYSA-N -1 0 373.322 -0.564 20 0 FBADRM CS(=O)(=O)N1CC[C@H](NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1 ZINC001144661551 839884566 /nfs/dbraw/zinc/88/45/66/839884566.db2.gz SKGOPRWKKAQBSF-JTQLQIEISA-N -1 0 367.387 -0.970 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1 ZINC001144661552 839884065 /nfs/dbraw/zinc/88/40/65/839884065.db2.gz SKGOPRWKKAQBSF-SNVBAGLBSA-N -1 0 367.387 -0.970 20 0 FBADRM CCO[N-]C(=O)CNC(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001144847169 839895597 /nfs/dbraw/zinc/89/55/97/839895597.db2.gz PVBGOLDLTBVLFO-AAEUAGOBSA-N -1 0 350.293 -0.019 20 0 FBADRM CCO[N-]C(=O)CNC(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001144847170 839895246 /nfs/dbraw/zinc/89/52/46/839895246.db2.gz PVBGOLDLTBVLFO-DGCLKSJQSA-N -1 0 350.293 -0.019 20 0 FBADRM CCO[N-]C(=O)CNC(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001144847171 839895424 /nfs/dbraw/zinc/89/54/24/839895424.db2.gz PVBGOLDLTBVLFO-WCQYABFASA-N -1 0 350.293 -0.019 20 0 FBADRM CCO[N-]C(=O)CNC(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001144847173 839895204 /nfs/dbraw/zinc/89/52/04/839895204.db2.gz PVBGOLDLTBVLFO-YPMHNXCESA-N -1 0 350.293 -0.019 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1cccn(CC(=O)OC(C)(C)C)c1=O ZINC001144854410 839895456 /nfs/dbraw/zinc/89/54/56/839895456.db2.gz ICWZWSGUMPDRPJ-UHFFFAOYSA-N -1 0 353.375 -0.013 20 0 FBADRM CSCC[C@H](NC(C)=O)C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001144864804 839896317 /nfs/dbraw/zinc/89/63/17/839896317.db2.gz KGGLLQSAMSDXSE-QMMMGPOBSA-N -1 0 357.479 -0.084 20 0 FBADRM Cc1ccc(C(=O)NCC(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1 ZINC001144881625 839897178 /nfs/dbraw/zinc/89/71/78/839897178.db2.gz ODHZXWKHTNVVRX-CABZTGNLSA-N -1 0 355.372 -0.757 20 0 FBADRM CC(=O)Nc1ccc(CC(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1 ZINC001144889185 839897145 /nfs/dbraw/zinc/89/71/45/839897145.db2.gz SXKKUFLCPWIVCO-SDBXPKJASA-N -1 0 355.372 -0.294 20 0 FBADRM CC[C@@H]1C(=O)NCCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001144898375 839897190 /nfs/dbraw/zinc/89/71/90/839897190.db2.gz PJGMNXMMQKVTEU-LLVKDONJSA-N -1 0 361.370 -0.020 20 0 FBADRM CC[C@H]1C(=O)NCCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001144898377 839897844 /nfs/dbraw/zinc/89/78/44/839897844.db2.gz PJGMNXMMQKVTEU-NSHDSACASA-N -1 0 361.370 -0.020 20 0 FBADRM CC(=O)O[C@H](C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)c1ccccc1 ZINC001144919944 839900410 /nfs/dbraw/zinc/90/04/10/839900410.db2.gz QIPMPUVHELGNFE-UWJYBYFXSA-N -1 0 356.356 -0.191 20 0 FBADRM COC(=O)[C@H](CCC(=O)NC(=N)SCCS(=O)(=O)[O-])NC(C)=O ZINC001144964206 839902759 /nfs/dbraw/zinc/90/27/59/839902759.db2.gz TUCRKZQOCJYFDN-QMMMGPOBSA-N -1 0 369.421 -0.884 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)C(=O)N1S(=O)(=O)[O-] ZINC001144997329 839902674 /nfs/dbraw/zinc/90/26/74/839902674.db2.gz VOPRUUUJPBXOPW-CWSCBRNRSA-N -1 0 373.431 -0.314 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)C(=O)N1S(=O)(=O)[O-] ZINC001144997334 839903419 /nfs/dbraw/zinc/90/34/19/839903419.db2.gz VOPRUUUJPBXOPW-KWBADKCTSA-N -1 0 373.431 -0.314 20 0 FBADRM CCN(C1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1)S(C)(=O)=O ZINC001145003034 839902899 /nfs/dbraw/zinc/90/28/99/839902899.db2.gz BTLHETPPSIPMKN-UHFFFAOYSA-N -1 0 367.431 -0.091 20 0 FBADRM C/C(I)=C/C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001145017452 839904429 /nfs/dbraw/zinc/90/44/29/839904429.db2.gz INFWWZFXZBGGNR-HPNUTTNJSA-N -1 0 374.156 -0.157 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O ZINC001145105416 839904230 /nfs/dbraw/zinc/90/42/30/839904230.db2.gz UJVVGQGOTWHXKR-YWVKMMECSA-N -1 0 362.379 -0.217 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@](C)(CO)NC(=O)OC(C)(C)C ZINC001146189188 839910086 /nfs/dbraw/zinc/91/00/86/839910086.db2.gz LZZBSHWNIOLLRP-VFZGTOFNSA-N -1 0 362.379 -0.215 20 0 FBADRM CC1(C)[C@H](C(=O)Nc2cc(=O)[n-]c(Cl)n2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146248453 839910236 /nfs/dbraw/zinc/91/02/36/839910236.db2.gz BOAFWKLWYWUDBB-BDAKNGLRSA-N -1 0 360.779 -0.092 20 0 FBADRM CCOC(=O)c1cnc(NC(=O)[C@@H]2N3C(=O)C[C@H]3S(=O)(=O)C2(C)C)[n-]1 ZINC001146249319 839911184 /nfs/dbraw/zinc/91/11/84/839911184.db2.gz KJLJXLAUIJSYRD-ZJUUUORDSA-N -1 0 370.387 -0.341 20 0 FBADRM CC1(C)[C@H](C(=O)n2[n-]c3ccnc(=O)c-3c2N)N2C(=O)C[C@H]2S1(=O)=O ZINC001146265461 839913651 /nfs/dbraw/zinc/91/36/51/839913651.db2.gz RDUIHHQAVBPERS-SCZZXKLOSA-N -1 0 365.371 -0.967 20 0 FBADRM CC1(C)[C@H](C(=O)NCCCC[P@@](=O)([O-])O)N2C(=O)C[C@H]2S1(=O)=O ZINC001146265755 839913523 /nfs/dbraw/zinc/91/35/23/839913523.db2.gz BQGVVRUXEHIEAM-ZJUUUORDSA-N -1 0 368.348 -0.806 20 0 FBADRM C[C@H]1CC[C@@H](NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CS1(=O)=O ZINC001146269509 839914580 /nfs/dbraw/zinc/91/45/80/839914580.db2.gz FRYCGSCTUDPURV-GXSJLCMTSA-N -1 0 366.399 -0.038 20 0 FBADRM C[C@@H]1CC[C@H](NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CS1(=O)=O ZINC001146269510 839914937 /nfs/dbraw/zinc/91/49/37/839914937.db2.gz FRYCGSCTUDPURV-KOLCDFICSA-N -1 0 366.399 -0.038 20 0 FBADRM C[C@@H]1CC[C@@H](NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CS1(=O)=O ZINC001146269511 839914808 /nfs/dbraw/zinc/91/48/08/839914808.db2.gz FRYCGSCTUDPURV-MWLCHTKSSA-N -1 0 366.399 -0.038 20 0 FBADRM C[C@H]1CC[C@H](NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CS1(=O)=O ZINC001146269512 839915089 /nfs/dbraw/zinc/91/50/89/839915089.db2.gz FRYCGSCTUDPURV-ONGXEEELSA-N -1 0 366.399 -0.038 20 0 FBADRM COC1(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)CS(=O)(=O)C1 ZINC001146301082 839915805 /nfs/dbraw/zinc/91/58/05/839915805.db2.gz VXWXBHKTIWEYBS-UHFFFAOYSA-N -1 0 354.388 -0.518 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)N(C(=O)c1c[n-]n3c1nccc3=O)CC2 ZINC001146325519 839915954 /nfs/dbraw/zinc/91/59/54/839915954.db2.gz WURZRVMGPZXVHT-UHFFFAOYSA-N -1 0 359.367 -0.127 20 0 FBADRM CC(C)(C)OC(=O)NCCNC(=O)C=CC(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001146365372 839917281 /nfs/dbraw/zinc/91/72/81/839917281.db2.gz PDKYVEZHEGEYLF-SGUJLRQBSA-N -1 0 372.403 -0.391 20 0 FBADRM CC(C)(C)OC(=O)NCCNC(=O)C=CC(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001146365373 839917311 /nfs/dbraw/zinc/91/73/11/839917311.db2.gz PDKYVEZHEGEYLF-ZWNMCFTASA-N -1 0 372.403 -0.391 20 0 FBADRM CC(C)(C)OC(=O)NCCNC(=O)/C=C/C(=O)NCS(=O)(=O)[O-] ZINC001146370980 839915877 /nfs/dbraw/zinc/91/58/77/839915877.db2.gz ASZUEKWGPHLLIA-SNAWJCMRSA-N -1 0 351.381 -0.855 20 0 FBADRM CC(C)(C)OC(=O)NCCNC(=O)C=CC(=O)NCc1n[nH]c(=O)[n-]1 ZINC001146373091 839916006 /nfs/dbraw/zinc/91/60/06/839916006.db2.gz VBCGYDRSTGRLLI-SNAWJCMRSA-N -1 0 354.367 -0.676 20 0 FBADRM COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCS(=O)(=O)[O-] ZINC001146395098 839917730 /nfs/dbraw/zinc/91/77/30/839917730.db2.gz XYLIUJGJHNAKHV-MRVPVSSYSA-N -1 0 354.381 -0.206 20 0 FBADRM COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCS(=O)(=O)[O-] ZINC001146395099 839917807 /nfs/dbraw/zinc/91/78/07/839917807.db2.gz XYLIUJGJHNAKHV-QMMMGPOBSA-N -1 0 354.381 -0.206 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)NCS(=O)(=O)[O-] ZINC001146438838 839917753 /nfs/dbraw/zinc/91/77/53/839917753.db2.gz ANBVCSZDJBUVKG-QMMMGPOBSA-N -1 0 368.412 -0.710 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)NCc1nnn[n-]1 ZINC001146439241 839918211 /nfs/dbraw/zinc/91/82/11/839918211.db2.gz HYILPDQXDSLFBS-QMMMGPOBSA-N -1 0 356.387 -0.842 20 0 FBADRM Cc1cc(C)c(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c(S(=O)(=O)[O-])c1 ZINC001146626121 839920766 /nfs/dbraw/zinc/92/07/66/839920766.db2.gz AJCQFLVKGVULTM-JTNHKYCSSA-N -1 0 357.384 -0.099 20 0 FBADRM O=C(NC[C@]1(OCCO)CCOC1)c1nc[n-]c(=O)c1Br ZINC001146731335 839922883 /nfs/dbraw/zinc/92/28/83/839922883.db2.gz FNYUMBWKQFAHAA-GFCCVEGCSA-N -1 0 362.180 -0.158 20 0 FBADRM O=C(NC[C@@]1(OCCO)CCOC1)c1nc[n-]c(=O)c1Br ZINC001146731336 839922583 /nfs/dbraw/zinc/92/25/83/839922583.db2.gz FNYUMBWKQFAHAA-LBPRGKRZSA-N -1 0 362.180 -0.158 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1nc[n-]c(=O)c1Br ZINC001146750169 839922732 /nfs/dbraw/zinc/92/27/32/839922732.db2.gz LZXJRKDPDLEKFG-NTSWFWBYSA-N -1 0 366.193 -0.514 20 0 FBADRM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1nc[n-]c(=O)c1Br ZINC001146750170 839922572 /nfs/dbraw/zinc/92/25/72/839922572.db2.gz LZXJRKDPDLEKFG-PHDIDXHHSA-N -1 0 366.193 -0.514 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1nc[n-]c(=O)c1Br ZINC001146750171 839922865 /nfs/dbraw/zinc/92/28/65/839922865.db2.gz LZXJRKDPDLEKFG-RITPCOANSA-N -1 0 366.193 -0.514 20 0 FBADRM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1nc[n-]c(=O)c1Br ZINC001146750172 839922705 /nfs/dbraw/zinc/92/27/05/839922705.db2.gz LZXJRKDPDLEKFG-WDSKDSINSA-N -1 0 366.193 -0.514 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)COC1CCCC1 ZINC001146773204 839922631 /nfs/dbraw/zinc/92/26/31/839922631.db2.gz UDZNMOFDUCLHHN-ZDUSSCGKSA-N -1 0 352.391 -0.013 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cc(C2CC2)on1 ZINC001146917269 839924327 /nfs/dbraw/zinc/92/43/27/839924327.db2.gz AVVJPYBBCGZLLC-UHFFFAOYSA-N -1 0 356.320 -0.738 20 0 FBADRM COc1cc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])on1 ZINC001146942648 839923943 /nfs/dbraw/zinc/92/39/43/839923943.db2.gz DIVGPWHLNCHXML-VIFPVBQESA-N -1 0 351.319 -0.662 20 0 FBADRM O=C(CCCc1nnn[n-]1)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC001146949248 839924216 /nfs/dbraw/zinc/92/42/16/839924216.db2.gz FDHCQVUUQDIFDY-LLVKDONJSA-N -1 0 360.440 -0.873 20 0 FBADRM O=C(CCCc1nnn[n-]1)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC001146949249 839923802 /nfs/dbraw/zinc/92/38/02/839923802.db2.gz FDHCQVUUQDIFDY-NSHDSACASA-N -1 0 360.440 -0.873 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cc(F)ncc1F ZINC001146962283 839925537 /nfs/dbraw/zinc/92/55/37/839925537.db2.gz HGMDPOQWKMPAPK-UHFFFAOYSA-N -1 0 362.274 -0.930 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCS(=O)(=O)C(F)(F)F ZINC001147000364 839925872 /nfs/dbraw/zinc/92/58/72/839925872.db2.gz BEIXUZOVMKKMKJ-UHFFFAOYSA-N -1 0 353.282 -0.878 20 0 FBADRM CO[C@@]1(C(=O)Nc2ccc(OCc3nnn[n-]3)cc2)CCS(=O)(=O)C1 ZINC001147001230 839925762 /nfs/dbraw/zinc/92/57/62/839925762.db2.gz XDLSWAJZJRUDPG-AWEZNQCLSA-N -1 0 367.387 -0.079 20 0 FBADRM CO[C@]1(C(=O)Nc2ccc(OCc3nnn[n-]3)cc2)CCS(=O)(=O)C1 ZINC001147001237 839924946 /nfs/dbraw/zinc/92/49/46/839924946.db2.gz XDLSWAJZJRUDPG-CQSZACIVSA-N -1 0 367.387 -0.079 20 0 FBADRM O=C(CCc1nnn[n-]1)NCCNC(=O)c1ccc(Br)cn1 ZINC001147117042 839926245 /nfs/dbraw/zinc/92/62/45/839926245.db2.gz CJVGNMYGQJLKKD-UHFFFAOYSA-N -1 0 368.195 -0.164 20 0 FBADRM Cc1nc(C)c(C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)s1 ZINC001147230634 839927921 /nfs/dbraw/zinc/92/79/21/839927921.db2.gz DQTBOHAPIAWNFJ-UHFFFAOYSA-N -1 0 360.377 -0.530 20 0 FBADRM CS(=O)(=O)[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C(F)(F)F ZINC001147242188 839928013 /nfs/dbraw/zinc/92/80/13/839928013.db2.gz KERAJTRVRCJUBN-PHDIDXHHSA-N -1 0 358.298 -0.877 20 0 FBADRM C[C@@H]1CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CCN1S(C)(=O)=O ZINC001147370918 839929829 /nfs/dbraw/zinc/92/98/29/839929829.db2.gz TWVYGDJXYQFTFJ-SNVBAGLBSA-N -1 0 365.419 -0.819 20 0 FBADRM CC(C)c1cc(C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)no1 ZINC001147475003 839930562 /nfs/dbraw/zinc/93/05/62/839930562.db2.gz GAUHXIHAHWLCBA-UHFFFAOYSA-N -1 0 358.336 -0.492 20 0 FBADRM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)c1cc2n(n1)CCNC2=O ZINC001147548014 839931474 /nfs/dbraw/zinc/93/14/74/839931474.db2.gz MWTIDERIPYIVKI-UHFFFAOYSA-N -1 0 361.339 -0.689 20 0 FBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)c2c[nH]c(=O)cn2)cc1 ZINC001147629685 839934021 /nfs/dbraw/zinc/93/40/21/839934021.db2.gz PEBXANRHJQDHRO-UHFFFAOYSA-N -1 0 350.356 -0.360 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cnoc1C1CC1 ZINC001147651361 839934878 /nfs/dbraw/zinc/93/48/78/839934878.db2.gz YYBDCQGTGQEMGN-UHFFFAOYSA-N -1 0 356.320 -0.738 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccc[nH]c1=S ZINC001147672465 839935239 /nfs/dbraw/zinc/93/52/39/839935239.db2.gz SUZJCTPKMBTLNB-UHFFFAOYSA-N -1 0 358.361 -0.919 20 0 FBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1 ZINC001147697151 839937067 /nfs/dbraw/zinc/93/70/67/839937067.db2.gz FMJGAAWMIVLZDE-UHFFFAOYSA-N -1 0 366.355 -0.242 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1cnc(Cl)nc1 ZINC001147728894 839935568 /nfs/dbraw/zinc/93/55/68/839935568.db2.gz TUGHIZSPSSJDGI-JTQLQIEISA-N -1 0 366.765 -0.215 20 0 FBADRM CCOC(=O)c1snc(C(N)=O)c1[N-]C(=O)c1nccnc1C(N)=O ZINC001147746729 839938387 /nfs/dbraw/zinc/93/83/87/839938387.db2.gz IYIVLWUAMVMXAV-UHFFFAOYSA-N -1 0 364.343 -0.440 20 0 FBADRM NC(=O)c1nccnc1C(=O)NCC[N-]C(=O)C(F)(F)Br ZINC001147766186 839938321 /nfs/dbraw/zinc/93/83/21/839938321.db2.gz ZTLOIGOHRFEZJI-UHFFFAOYSA-N -1 0 366.122 -0.591 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cncc(Br)n2)C(=O)N1S(=O)(=O)[O-] ZINC001147874853 839940110 /nfs/dbraw/zinc/94/01/10/839940110.db2.gz SSYSWHOPGCWVDF-FFWSUHOLSA-N -1 0 365.165 -0.629 20 0 FBADRM NS(=O)(=O)c1cc2c(s1)CCN(C(=O)CCCc1nnn[n-]1)C2 ZINC001148079411 839942724 /nfs/dbraw/zinc/94/27/24/839942724.db2.gz RAIGSSOCZFRKET-UHFFFAOYSA-N -1 0 356.433 -0.184 20 0 FBADRM O=C(N[C@@H]1CO[N-]C1=O)c1c(I)ccnc1F ZINC001148103177 839942841 /nfs/dbraw/zinc/94/28/41/839942841.db2.gz JMAXJPRKAOIKLA-RXMQYKEDSA-N -1 0 351.075 -0.015 20 0 FBADRM C[C@@H]1C(=O)N([N-]C(=O)c2nc3ncc(Br)cn3n2)C(=O)N1C ZINC001148179193 839944540 /nfs/dbraw/zinc/94/45/40/839944540.db2.gz GUKIYNAITTWZBG-RXMQYKEDSA-N -1 0 368.151 -0.186 20 0 FBADRM C[C@H]1C(=O)N([N-]C(=O)c2nc3ncc(Br)cn3n2)C(=O)N1C ZINC001148179194 839944706 /nfs/dbraw/zinc/94/47/06/839944706.db2.gz GUKIYNAITTWZBG-YFKPBYRVSA-N -1 0 368.151 -0.186 20 0 FBADRM COc1cccc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1O ZINC001148197535 839943938 /nfs/dbraw/zinc/94/39/38/839943938.db2.gz OTEXGDDILGELSP-UHFFFAOYSA-N -1 0 371.331 -0.889 20 0 FBADRM COc1ccc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1O ZINC001148259028 839946370 /nfs/dbraw/zinc/94/63/70/839946370.db2.gz QFSBUAROFLEEIN-UHFFFAOYSA-N -1 0 371.331 -0.889 20 0 FBADRM CSCC[C@H](NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)c1nnn[n-]1 ZINC001148261368 839946545 /nfs/dbraw/zinc/94/65/45/839946545.db2.gz RYKTVLBMXMXHDP-NFMCEHEJSA-N -1 0 353.404 -0.169 20 0 FBADRM CC(=O)c1ccc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1 ZINC001148299127 839949103 /nfs/dbraw/zinc/94/91/03/839949103.db2.gz HVZULTCSSYIXNW-UHFFFAOYSA-N -1 0 367.343 -0.400 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCCN2CCC3(C2)OCCO3)cn1 ZINC001148300104 839949637 /nfs/dbraw/zinc/94/96/37/839949637.db2.gz CDVMNQWBWZKPBU-UHFFFAOYSA-N -1 0 370.431 -0.368 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc(S(C)(=O)=O)cc2)C(=O)N1S(=O)(=O)[O-] ZINC001148354717 839952401 /nfs/dbraw/zinc/95/24/01/839952401.db2.gz MDQJOPVWXOPKLI-XVKPBYJWSA-N -1 0 362.385 -0.778 20 0 FBADRM CCc1ccccc1C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001148404697 839952066 /nfs/dbraw/zinc/95/20/66/839952066.db2.gz ILUSSVJJMVCJBL-UHFFFAOYSA-N -1 0 353.360 -0.041 20 0 FBADRM COCc1ccc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1 ZINC001148432349 839952823 /nfs/dbraw/zinc/95/28/23/839952823.db2.gz LVGQRTLHTXYZNL-UHFFFAOYSA-N -1 0 369.359 -0.457 20 0 FBADRM Cc1ccc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c(O)c1 ZINC001148492774 839954032 /nfs/dbraw/zinc/95/40/32/839954032.db2.gz RBWHZJQGPDPQHZ-UHFFFAOYSA-N -1 0 355.332 -0.589 20 0 FBADRM Cc1cc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc(C)c1O ZINC001148549644 839953824 /nfs/dbraw/zinc/95/38/24/839953824.db2.gz ABQSUNQMBRONPA-UHFFFAOYSA-N -1 0 369.359 -0.280 20 0 FBADRM COc1cc(C)ccc1C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001148565473 839953748 /nfs/dbraw/zinc/95/37/48/839953748.db2.gz BZCTWOZKVJWMJO-UHFFFAOYSA-N -1 0 369.359 -0.286 20 0 FBADRM COc1ccc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c(OC)c1OC ZINC001148844383 839956960 /nfs/dbraw/zinc/95/69/60/839956960.db2.gz YCPHNGKOOBTZRK-XVKPBYJWSA-N -1 0 374.371 -0.156 20 0 FBADRM O=C(CCNC(=O)c1cc(S(=O)(=O)[O-])ccc1O)N1CCOCC1 ZINC001148914921 839956915 /nfs/dbraw/zinc/95/69/15/839956915.db2.gz GXVQFWAILAEOFM-UHFFFAOYSA-N -1 0 358.372 -0.382 20 0 FBADRM O=C(c1cc(S(=O)(=O)[O-])ccc1O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001148916648 839956675 /nfs/dbraw/zinc/95/66/75/839956675.db2.gz AOSQNNDXGCNCMM-UHFFFAOYSA-N -1 0 354.340 -0.388 20 0 FBADRM COC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1cc(S(=O)(=O)[O-])ccc1O)C2 ZINC001148917014 839957114 /nfs/dbraw/zinc/95/71/14/839957114.db2.gz JDEKZYOMNKRBRF-VFZGTOFNSA-N -1 0 371.367 -0.100 20 0 FBADRM O=C(c1cc(S(=O)(=O)[O-])ccc1O)N1CCC2(CC1)COCC(=O)N2 ZINC001148917168 839957250 /nfs/dbraw/zinc/95/72/50/839957250.db2.gz NHGUVPLBZSMRIE-UHFFFAOYSA-N -1 0 370.383 -0.240 20 0 FBADRM CCOc1cc(N)n(C(=O)c2cc(S(=O)(=O)[O-])ccc2O)c(=N)n1 ZINC001148917735 839956273 /nfs/dbraw/zinc/95/62/73/839956273.db2.gz WITAWFWRTDTHMW-UHFFFAOYSA-N -1 0 354.344 -0.016 20 0 FBADRM COC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)[O-])ccc2O)CC1 ZINC001148919150 839956873 /nfs/dbraw/zinc/95/68/73/839956873.db2.gz PGMKDRNFZLCNRR-UHFFFAOYSA-N -1 0 358.372 -0.430 20 0 FBADRM CN1CCN(C2CN(C(=O)c3cc(S(=O)(=O)[O-])ccc3O)C2)CC1=O ZINC001148919151 839956829 /nfs/dbraw/zinc/95/68/29/839956829.db2.gz PIPZWHLHGGLZIG-UHFFFAOYSA-N -1 0 369.399 -0.763 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)[O-])ccc2O)CC1 ZINC001148919669 839957265 /nfs/dbraw/zinc/95/72/65/839957265.db2.gz UBJYZVHHSJRJRI-UHFFFAOYSA-N -1 0 364.401 -0.644 20 0 FBADRM CS(=O)(=O)NC1CN(C(=O)c2cc(S(=O)(=O)[O-])ccc2O)C1 ZINC001148919712 839956182 /nfs/dbraw/zinc/95/61/82/839956182.db2.gz VJMGKWXPACYFBU-UHFFFAOYSA-N -1 0 350.374 -0.988 20 0 FBADRM O=C(c1cc(S(=O)(=O)[O-])ccc1O)N1CCN(c2ncncn2)CC1 ZINC001148925771 839958470 /nfs/dbraw/zinc/95/84/70/839958470.db2.gz ACXPDPUQZNPFGS-UHFFFAOYSA-N -1 0 365.371 -0.214 20 0 FBADRM O=C(c1cc(S(=O)(=O)[O-])ccc1O)N1CCC2(CNC(=O)N2)CC1 ZINC001148925906 839958355 /nfs/dbraw/zinc/95/83/55/839958355.db2.gz CJJBTAFUNMOROP-UHFFFAOYSA-N -1 0 355.372 -0.074 20 0 FBADRM O=C(c1cc(S(=O)(=O)[O-])ccc1O)N1CCN2C(=O)COC[C@H]2C1 ZINC001148925926 839958182 /nfs/dbraw/zinc/95/81/82/839958182.db2.gz DCBNFCGPNIDGPQ-SECBINFHSA-N -1 0 356.356 -0.678 20 0 FBADRM O=C(c1cc(S(=O)(=O)[O-])ccc1O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001148925927 839958704 /nfs/dbraw/zinc/95/87/04/839958704.db2.gz DCBNFCGPNIDGPQ-VIFPVBQESA-N -1 0 356.356 -0.678 20 0 FBADRM O=C(c1cc(S(=O)(=O)[O-])ccc1O)N1CCC2(CC1)CNC(=O)CO2 ZINC001148926457 839958683 /nfs/dbraw/zinc/95/86/83/839958683.db2.gz NHHBXVGEMUJBTF-UHFFFAOYSA-N -1 0 370.383 -0.240 20 0 FBADRM COC(=O)[C@H]1CN(C)CCN1C(=O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148926673 839957772 /nfs/dbraw/zinc/95/77/72/839957772.db2.gz RHTLXRXRLXDXKF-LLVKDONJSA-N -1 0 358.372 -0.432 20 0 FBADRM COC(=O)[C@@H]1CN(C)CCN1C(=O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148926674 839957909 /nfs/dbraw/zinc/95/79/09/839957909.db2.gz RHTLXRXRLXDXKF-NSHDSACASA-N -1 0 358.372 -0.432 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)c2cc(S(=O)(=O)[O-])ccc2O)CCN1C ZINC001148926953 839957752 /nfs/dbraw/zinc/95/77/52/839957752.db2.gz WYSHTSSXAUKUHI-LLVKDONJSA-N -1 0 358.372 -0.432 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[O-])ccc2O)CCN1C ZINC001148926954 839958291 /nfs/dbraw/zinc/95/82/91/839958291.db2.gz WYSHTSSXAUKUHI-NSHDSACASA-N -1 0 358.372 -0.432 20 0 FBADRM O=C(N[C@@H]1COCCC12OCCO2)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148927247 839958630 /nfs/dbraw/zinc/95/86/30/839958630.db2.gz JROVQYMJEAAHIL-GFCCVEGCSA-N -1 0 359.356 -0.099 20 0 FBADRM O=C(N[C@H]1COCCC12OCCO2)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148927248 839958554 /nfs/dbraw/zinc/95/85/54/839958554.db2.gz JROVQYMJEAAHIL-LBPRGKRZSA-N -1 0 359.356 -0.099 20 0 FBADRM O=C(NC1CC2(C1)CS(=O)(=O)C2)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148927291 839958273 /nfs/dbraw/zinc/95/82/73/839958273.db2.gz KZKQNPROTINZMG-UHFFFAOYSA-N -1 0 361.397 -0.054 20 0 FBADRM CS(=O)(=O)N1CC(NC(=O)c2cc(S(=O)(=O)[O-])ccc2O)C1 ZINC001148927359 839958447 /nfs/dbraw/zinc/95/84/47/839958447.db2.gz OOYFUXWVECOGFD-UHFFFAOYSA-N -1 0 350.374 -0.988 20 0 FBADRM CN(C)S(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148928130 839958312 /nfs/dbraw/zinc/95/83/12/839958312.db2.gz WDMQCCHGIBCINW-UHFFFAOYSA-N -1 0 352.390 -0.740 20 0 FBADRM O=C(NCCN1CCCS1(=O)=O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148932789 839956553 /nfs/dbraw/zinc/95/65/53/839956553.db2.gz APKCERBRCGVVBB-UHFFFAOYSA-N -1 0 364.401 -0.596 20 0 FBADRM COC(=O)CC[C@H](NC(=O)c1cc(S(=O)(=O)[O-])ccc1O)C(N)=O ZINC001148933809 839956213 /nfs/dbraw/zinc/95/62/13/839956213.db2.gz NWDFOZFOLLYSSP-VIFPVBQESA-N -1 0 360.344 -0.824 20 0 FBADRM CN(C)CCN(C(=O)c1c[n-]n2c1nccc2=O)[C@@H]1CCS(=O)(=O)C1 ZINC001149027264 839958063 /nfs/dbraw/zinc/95/80/63/839958063.db2.gz VUGTWGVAUJYJIW-LLVKDONJSA-N -1 0 367.431 -0.787 20 0 FBADRM CN(C)CCN(C(=O)c1c[n-]n2c1nccc2=O)[C@H]1CCS(=O)(=O)C1 ZINC001149027265 839958423 /nfs/dbraw/zinc/95/84/23/839958423.db2.gz VUGTWGVAUJYJIW-NSHDSACASA-N -1 0 367.431 -0.787 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N[C@@H]2CO[N-]C2=O)c(Cl)cc1Cl ZINC001149094280 843603441 /nfs/dbraw/zinc/60/34/41/843603441.db2.gz LYSBMLSAUMQTAD-SSDOTTSWSA-N -1 0 354.171 -0.199 20 0 FBADRM O=C(NCS(=O)(=O)[O-])c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001149113963 843728380 /nfs/dbraw/zinc/72/83/80/843728380.db2.gz TUCZDCYKXLMZFO-UHFFFAOYSA-N -1 0 364.401 -0.717 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccc2c(c1)OCO2 ZINC001149157896 843728618 /nfs/dbraw/zinc/72/86/18/843728618.db2.gz VSUKRQARVPINGP-UHFFFAOYSA-N -1 0 369.315 -0.874 20 0 FBADRM CS(=O)(=O)CC1(CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1 ZINC001149168194 836015872 /nfs/dbraw/zinc/01/58/72/836015872.db2.gz XAHQDIRTWLOUOB-UHFFFAOYSA-N -1 0 350.404 -0.371 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cccc2c1OCC2 ZINC001149173422 836056560 /nfs/dbraw/zinc/05/65/60/836056560.db2.gz FZAVRFMJFLOJGW-UHFFFAOYSA-N -1 0 367.343 -0.668 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccc2cc[nH]c2c1 ZINC001149205794 843729150 /nfs/dbraw/zinc/72/91/50/843729150.db2.gz XYEAJEPAMCCBNK-UHFFFAOYSA-N -1 0 364.343 -0.122 20 0 FBADRM CN(C(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1nnn[n-]1 ZINC001149219927 843729816 /nfs/dbraw/zinc/72/98/16/843729816.db2.gz JQQVUUGSZNIACZ-SECBINFHSA-N -1 0 353.383 -0.322 20 0 FBADRM CN(C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1nnn[n-]1 ZINC001149219928 843729172 /nfs/dbraw/zinc/72/91/72/843729172.db2.gz JQQVUUGSZNIACZ-VIFPVBQESA-N -1 0 353.383 -0.322 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cnn2ccccc12 ZINC001149240993 843730783 /nfs/dbraw/zinc/73/07/83/843730783.db2.gz LGELOBAGLCASIP-UHFFFAOYSA-N -1 0 365.331 -0.955 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)NCc2nc([O-])cc(=O)[nH]2)n(C)c1 ZINC001149283585 843730344 /nfs/dbraw/zinc/73/03/44/843730344.db2.gz COBHVKAUZOOTTG-UHFFFAOYSA-N -1 0 355.376 -0.593 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc3[nH]c(CO)nc3c2)C(=O)N1S(=O)(=O)[O-] ZINC001149313213 843730182 /nfs/dbraw/zinc/73/01/82/843730182.db2.gz WAPHUBYXNQIXFW-KGFZYKRKSA-N -1 0 354.344 -0.813 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc3c(c2)NC(=O)CC3)C(=O)N1S(=O)(=O)[O-] ZINC001149342688 843730328 /nfs/dbraw/zinc/73/03/28/843730328.db2.gz SZCUEZNCBZPRQC-MADCSZMMSA-N -1 0 353.356 -0.297 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccc2c[nH]nc2c1 ZINC001149345862 843730312 /nfs/dbraw/zinc/73/03/12/843730312.db2.gz CNHGCFJSSWQKNB-UHFFFAOYSA-N -1 0 365.331 -0.727 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1c[nH]c2ncccc12 ZINC001149364704 843730840 /nfs/dbraw/zinc/73/08/40/843730840.db2.gz CXXBKUXOLTYPNS-UHFFFAOYSA-N -1 0 365.331 -0.727 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccc2ocnc2c1 ZINC001149379185 843730294 /nfs/dbraw/zinc/73/02/94/843730294.db2.gz GUBIIBFUZXMHSQ-UHFFFAOYSA-N -1 0 366.315 -0.462 20 0 FBADRM Cc1cccc(CO[N-]C(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)n1 ZINC001149463001 843732566 /nfs/dbraw/zinc/73/25/66/843732566.db2.gz VNNTZKLTKBYBTN-UHFFFAOYSA-N -1 0 352.372 -0.193 20 0 FBADRM CS(=O)(=O)CC1(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)COC1 ZINC001149501188 843732668 /nfs/dbraw/zinc/73/26/68/843732668.db2.gz SMSQVCLASNYRDY-LLVKDONJSA-N -1 0 351.388 -0.534 20 0 FBADRM CS(=O)(=O)CC1(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)COC1 ZINC001149501189 843732394 /nfs/dbraw/zinc/73/23/94/843732394.db2.gz SMSQVCLASNYRDY-NSHDSACASA-N -1 0 351.388 -0.534 20 0 FBADRM O=C(NCCO)C1CCN(C(=O)c2nc[n-]c(=O)c2Br)CC1 ZINC001149557991 843733448 /nfs/dbraw/zinc/73/34/48/843733448.db2.gz IRWZUEMHNYJVPJ-UHFFFAOYSA-N -1 0 373.207 -0.095 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2CCC(C(=O)NCCO)CC2)cc1=O ZINC001149560010 843733323 /nfs/dbraw/zinc/73/33/23/843733323.db2.gz WVWROCVSEPEVFI-UHFFFAOYSA-N -1 0 352.435 -0.278 20 0 FBADRM Cc1cc(C)n2ncc(C(=O)N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)c2n1 ZINC001149589853 843733306 /nfs/dbraw/zinc/73/33/06/843733306.db2.gz HJDNXWDADIXZDP-WPRPVWTQSA-N -1 0 353.360 -0.522 20 0 FBADRM COc1ccc(Cn2ccnc(C(=O)NCS(=O)(=O)[O-])c2=O)cc1 ZINC001149725951 843734874 /nfs/dbraw/zinc/73/48/74/843734874.db2.gz OVHVVFXNPMWLLZ-UHFFFAOYSA-N -1 0 353.356 -0.125 20 0 FBADRM CN(CC(=O)N1CCN(C)CC1)C(=O)c1nc[n-]c(=O)c1Br ZINC001149758701 843734733 /nfs/dbraw/zinc/73/47/33/843734733.db2.gz IUGBFUTZAQBGEJ-UHFFFAOYSA-N -1 0 372.223 -0.209 20 0 FBADRM CC(C)(C)OC(=O)N1CCc2n[nH]c(C(=O)N[C@@H]3CO[N-]C3=O)c2C1 ZINC001149848874 843736756 /nfs/dbraw/zinc/73/67/56/843736756.db2.gz WFMSBUGKPNUUKE-SNVBAGLBSA-N -1 0 351.363 -0.137 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cc2[nH]ccc2s1 ZINC001149854391 843736310 /nfs/dbraw/zinc/73/63/10/843736310.db2.gz CFRIZYBXXGJVFC-UHFFFAOYSA-N -1 0 370.372 -0.060 20 0 FBADRM O=C(NCCn1ncnn1)c1cnc(I)c([O-])c1 ZINC001149892932 843736815 /nfs/dbraw/zinc/73/68/15/843736815.db2.gz HIAAOLLQNAFRET-UHFFFAOYSA-N -1 0 360.115 -0.192 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC001149907735 843737811 /nfs/dbraw/zinc/73/78/11/843737811.db2.gz CSENLFUFHQBIMY-LLVKDONJSA-N -1 0 357.436 -0.448 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CC[C@H](OCCN2CCOCC2)C1 ZINC001149907737 843737958 /nfs/dbraw/zinc/73/79/58/843737958.db2.gz CSENLFUFHQBIMY-NSHDSACASA-N -1 0 357.436 -0.448 20 0 FBADRM O=C(CNC(=O)c1cnc(I)c([O-])c1)NCCO ZINC001149909173 843737685 /nfs/dbraw/zinc/73/76/85/843737685.db2.gz SELQDTZBDZXHRK-UHFFFAOYSA-N -1 0 365.127 -0.770 20 0 FBADRM CC(C)(C)OC(=O)N1CCn2c(ncc2C(=O)N[C@@H]2CO[N-]C2=O)C1 ZINC001149911916 843737035 /nfs/dbraw/zinc/73/70/35/843737035.db2.gz NXCYOIPDVGBNDN-SECBINFHSA-N -1 0 351.363 -0.206 20 0 FBADRM CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N[C@@H]3CO[N-]C3=O)c2C1 ZINC001150010295 843738486 /nfs/dbraw/zinc/73/84/86/843738486.db2.gz SLKAVVOBVBPYBM-SECBINFHSA-N -1 0 351.363 -0.206 20 0 FBADRM CC(C)(C)OC(=O)N1CCn2nnc(C(=O)NCS(=O)(=O)[O-])c2C1 ZINC001150027689 843738895 /nfs/dbraw/zinc/73/88/95/843738895.db2.gz LCGNAISHHRKVQF-UHFFFAOYSA-N -1 0 361.380 -0.396 20 0 FBADRM CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N[C@@H]3CO[N-]C3=O)c2C1 ZINC001150028820 843738853 /nfs/dbraw/zinc/73/88/53/843738853.db2.gz TYNHVDRDSUANGM-MRVPVSSYSA-N -1 0 352.351 -0.811 20 0 FBADRM C[C@@H](NC(=O)Cn1cnnn1)C(=O)Nc1nccc(Br)c1[O-] ZINC001150031862 840266167 /nfs/dbraw/zinc/26/61/67/840266167.db2.gz GKORKMKISHUICW-ZCFIWIBFSA-N -1 0 370.167 -0.320 20 0 FBADRM CC(C)(C)OC(=O)N1CCn2nc(C(=O)N[C@@H]3CO[N-]C3=O)cc2C1 ZINC001150076615 843738873 /nfs/dbraw/zinc/73/88/73/843738873.db2.gz USBVBHFJEIEMHK-LLVKDONJSA-N -1 0 351.363 -0.206 20 0 FBADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CC(NS(N)(=O)=O)C2)n1 ZINC001150087290 843739783 /nfs/dbraw/zinc/73/97/83/843739783.db2.gz FZCQDBKZXPENTQ-UHFFFAOYSA-N -1 0 365.415 -0.242 20 0 FBADRM NS(=O)(=O)NC1CN(C(=O)c2cccc(Br)c2[O-])C1 ZINC001150087336 843739457 /nfs/dbraw/zinc/73/94/57/843739457.db2.gz HUHDNNIUHNYLRP-UHFFFAOYSA-N -1 0 350.194 -0.228 20 0 FBADRM NS(=O)(=O)NC1CN(C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)C1 ZINC001150087547 843739816 /nfs/dbraw/zinc/73/98/16/843739816.db2.gz MYEYKBNJOLVDCK-UHFFFAOYSA-N -1 0 370.309 -0.924 20 0 FBADRM CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N[C@@H]3CO[N-]C3=O)c2C1 ZINC001150108766 843740113 /nfs/dbraw/zinc/74/01/13/843740113.db2.gz VYQQRFUYWCKTSR-SNVBAGLBSA-N -1 0 351.363 -0.206 20 0 FBADRM O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001150263343 843741501 /nfs/dbraw/zinc/74/15/01/843741501.db2.gz XYJCLJCDHRPBTE-HTQZYQBOSA-N -1 0 370.305 -0.654 20 0 FBADRM CN1CCN(C)[C@@H](c2nnc3ccc(C(=O)NCS(=O)(=O)[O-])cn32)C1 ZINC001150398550 843743260 /nfs/dbraw/zinc/74/32/60/843743260.db2.gz CPULTPGAEWYPJD-LLVKDONJSA-N -1 0 368.419 -0.777 20 0 FBADRM CN1CCN(C)[C@H](c2nnc3ccc(C(=O)NCS(=O)(=O)[O-])cn32)C1 ZINC001150398551 843743743 /nfs/dbraw/zinc/74/37/43/843743743.db2.gz CPULTPGAEWYPJD-NSHDSACASA-N -1 0 368.419 -0.777 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)c1 ZINC001150544249 843744839 /nfs/dbraw/zinc/74/48/39/843744839.db2.gz XIISDTNHWRLZNJ-CABZTGNLSA-N -1 0 354.384 -0.113 20 0 FBADRM Cn1cc([C@H]2CN(C(=O)c3ccc([N-]S(C)(=O)=O)nc3)CCN2)cn1 ZINC001150585251 843744068 /nfs/dbraw/zinc/74/40/68/843744068.db2.gz YJTRSJZSZUFRKU-CYBMUJFWSA-N -1 0 364.431 -0.027 20 0 FBADRM Cn1cc([C@@H]2CN(C(=O)c3ccc([N-]S(C)(=O)=O)nc3)CCN2)cn1 ZINC001150585252 843744762 /nfs/dbraw/zinc/74/47/62/843744762.db2.gz YJTRSJZSZUFRKU-ZDUSSCGKSA-N -1 0 364.431 -0.027 20 0 FBADRM Cc1cc(C)n2nc(C(=O)N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)cc2n1 ZINC001150592761 843744356 /nfs/dbraw/zinc/74/43/56/843744356.db2.gz PHLLLRXTGXXCRG-KWQFWETISA-N -1 0 353.360 -0.522 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2n[nH]c(=O)c3ccccc32)C(=O)N1S(=O)(=O)[O-] ZINC001150616330 843744217 /nfs/dbraw/zinc/74/42/17/843744217.db2.gz PAJMCXSYUNCKSR-RCOVLWMOSA-N -1 0 352.328 -0.533 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cc2c([nH]1)CCCC2 ZINC001150631705 843745516 /nfs/dbraw/zinc/74/55/16/843745516.db2.gz KQBCTBRODDCATB-UHFFFAOYSA-N -1 0 368.375 -0.396 20 0 FBADRM COc1cc([C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)ccc1OCCO ZINC001150727982 843745775 /nfs/dbraw/zinc/74/57/75/843745775.db2.gz VGBBGMHJUGAMJF-SECBINFHSA-N -1 0 352.347 -0.054 20 0 FBADRM COc1cc([C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)ccc1OCCO ZINC001150727983 843746113 /nfs/dbraw/zinc/74/61/13/843746113.db2.gz VGBBGMHJUGAMJF-VIFPVBQESA-N -1 0 352.347 -0.054 20 0 FBADRM CS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)ccc1F ZINC001150802822 843746755 /nfs/dbraw/zinc/74/67/55/843746755.db2.gz HMGRTTKVHGQYLH-JTQLQIEISA-N -1 0 355.351 -0.044 20 0 FBADRM CS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)ccc1F ZINC001150802828 843746435 /nfs/dbraw/zinc/74/64/35/843746435.db2.gz HMGRTTKVHGQYLH-SNVBAGLBSA-N -1 0 355.351 -0.044 20 0 FBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001150803725 843746548 /nfs/dbraw/zinc/74/65/48/843746548.db2.gz QDVOLLLAWJADIO-GHMZBOCLSA-N -1 0 358.424 -0.794 20 0 FBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001150803726 843746007 /nfs/dbraw/zinc/74/60/07/843746007.db2.gz QDVOLLLAWJADIO-WDEREUQCSA-N -1 0 358.424 -0.794 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)N2CCOC[C@@H]2c2nnn[n-]2)CC1 ZINC001150804216 840335784 /nfs/dbraw/zinc/33/57/84/840335784.db2.gz VMJOMUYYBBNVHN-LLVKDONJSA-N -1 0 358.424 -0.839 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)N2CCOC[C@H]2c2nnn[n-]2)CC1 ZINC001150804217 840335646 /nfs/dbraw/zinc/33/56/46/840335646.db2.gz VMJOMUYYBBNVHN-NSHDSACASA-N -1 0 358.424 -0.839 20 0 FBADRM O=C(CNC(=O)c1ccc(F)c(F)c1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001150804220 840335704 /nfs/dbraw/zinc/33/57/04/840335704.db2.gz VSNJOSCANHEIMQ-LLVKDONJSA-N -1 0 352.301 -0.192 20 0 FBADRM O=C(CNC(=O)c1ccc(F)c(F)c1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001150804221 840335287 /nfs/dbraw/zinc/33/52/87/840335287.db2.gz VSNJOSCANHEIMQ-NSHDSACASA-N -1 0 352.301 -0.192 20 0 FBADRM CS(=O)(=O)Cc1cccc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)c1 ZINC001150804259 843746397 /nfs/dbraw/zinc/74/63/97/843746397.db2.gz WQWXLOHREDBNHV-GFCCVEGCSA-N -1 0 351.388 -0.042 20 0 FBADRM CS(=O)(=O)Cc1cccc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)c1 ZINC001150804260 843745969 /nfs/dbraw/zinc/74/59/69/843745969.db2.gz WQWXLOHREDBNHV-LBPRGKRZSA-N -1 0 351.388 -0.042 20 0 FBADRM O=C(Cn1ccc(Br)cc1=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001150811386 843746704 /nfs/dbraw/zinc/74/67/04/843746704.db2.gz WMNCYBGDHXXLEY-SECBINFHSA-N -1 0 369.179 -0.276 20 0 FBADRM O=C(Cn1ccc(Br)cc1=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001150811387 843746502 /nfs/dbraw/zinc/74/65/02/843746502.db2.gz WMNCYBGDHXXLEY-VIFPVBQESA-N -1 0 369.179 -0.276 20 0 FBADRM CCn1nc2c(c1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)CCCC2 ZINC001150853568 843746195 /nfs/dbraw/zinc/74/61/95/843746195.db2.gz JSXKBFIYUFHYGS-KWQFWETISA-N -1 0 356.404 -0.086 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cnc2cc[nH]c2c1 ZINC001150892719 843747419 /nfs/dbraw/zinc/74/74/19/843747419.db2.gz ZBADJLSEKZYXBC-UHFFFAOYSA-N -1 0 365.331 -0.727 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cn(C)c(=O)c3ccccc23)C(=O)N1S(=O)(=O)[O-] ZINC001150940764 843747589 /nfs/dbraw/zinc/74/75/89/843747589.db2.gz GCHDTOVRJMSAKJ-UFBFGSQYSA-N -1 0 365.367 -0.330 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cc3ccccc3oc2=O)C(=O)N1S(=O)(=O)[O-] ZINC001150958432 843747192 /nfs/dbraw/zinc/74/71/92/843747192.db2.gz UUGSNEMMQGLJLY-CPCISQLKSA-N -1 0 352.324 -0.075 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccnc2[nH]ccc21 ZINC001150962220 843747064 /nfs/dbraw/zinc/74/70/64/843747064.db2.gz CCOYTNPYOHUGIE-UHFFFAOYSA-N -1 0 365.331 -0.775 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc3oc(=O)ccc3c2)C(=O)N1S(=O)(=O)[O-] ZINC001151006131 843748073 /nfs/dbraw/zinc/74/80/73/843748073.db2.gz HOOKZYVTEPDDOH-MADCSZMMSA-N -1 0 352.324 -0.075 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cnc2[nH]ccc2c1 ZINC001151008302 840397614 /nfs/dbraw/zinc/39/76/14/840397614.db2.gz ZPZLBYIGYLZRKS-UHFFFAOYSA-N -1 0 365.331 -0.775 20 0 FBADRM Cc1noc2nc(C)cc(C(=O)N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)c12 ZINC001151050966 843748432 /nfs/dbraw/zinc/74/84/32/843748432.db2.gz QVWRYJLIUVKGPF-XVKPBYJWSA-N -1 0 354.344 -0.028 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccc2[nH]cnc2c1 ZINC001151083203 843748660 /nfs/dbraw/zinc/74/86/60/843748660.db2.gz FGERTEURLORGJR-UHFFFAOYSA-N -1 0 365.331 -0.727 20 0 FBADRM CC(C)N(CCS(C)(=O)=O)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001151144048 843749533 /nfs/dbraw/zinc/74/95/33/843749533.db2.gz HCVJGKOGSVJFQG-UHFFFAOYSA-N -1 0 352.420 -0.030 20 0 FBADRM C[C@H](CO[N-]C(=O)CN1C(=O)C(=O)N(C)C1=O)NC(=O)OC(C)(C)C ZINC001151185685 843750432 /nfs/dbraw/zinc/75/04/32/843750432.db2.gz QPDBWOMKXCYIOM-MRVPVSSYSA-N -1 0 358.351 -0.632 20 0 FBADRM C[C@@H](CO[N-]C(=O)CN1C(=O)C(=O)N(C)C1=O)NC(=O)OC(C)(C)C ZINC001151185689 843750378 /nfs/dbraw/zinc/75/03/78/843750378.db2.gz QPDBWOMKXCYIOM-QMMMGPOBSA-N -1 0 358.351 -0.632 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc3c(c2)O[C@H](C)C(=O)N3)C(=O)N1S(=O)(=O)[O-] ZINC001151205968 843750024 /nfs/dbraw/zinc/75/00/24/843750024.db2.gz VWHCLRSGPLIWKK-CVJICSNFSA-N -1 0 369.355 -0.462 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc3c(c2)O[C@@H](C)C(=O)N3)C(=O)N1S(=O)(=O)[O-] ZINC001151205969 843750203 /nfs/dbraw/zinc/75/02/03/843750203.db2.gz VWHCLRSGPLIWKK-HFJPGXAFSA-N -1 0 369.355 -0.462 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccn2ccnc2c1 ZINC001151322393 843752393 /nfs/dbraw/zinc/75/23/93/843752393.db2.gz BKXYMZKZSQFXID-UHFFFAOYSA-N -1 0 365.331 -0.955 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C(=O)N1S(=O)(=O)[O-] ZINC001151348171 843752782 /nfs/dbraw/zinc/75/27/82/843752782.db2.gz BATLSMHYTJJBCM-KGFZYKRKSA-N -1 0 355.328 -0.851 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cccn2ccnc12 ZINC001151467442 843753539 /nfs/dbraw/zinc/75/35/39/843753539.db2.gz CBLALOQHUKFJPN-UHFFFAOYSA-N -1 0 365.331 -0.955 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cc2cccnc2[nH]1 ZINC001151539654 843754235 /nfs/dbraw/zinc/75/42/35/843754235.db2.gz RFPQPXARIRFPDF-UHFFFAOYSA-N -1 0 365.331 -0.727 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cc3c(ncnc3Cl)[nH]2)C(=O)N1S(=O)(=O)[O-] ZINC001151565786 843754611 /nfs/dbraw/zinc/75/46/11/843754611.db2.gz OCLUPLGDQQNPRT-FFWSUHOLSA-N -1 0 359.751 -0.257 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccc2cc[nH]c2n1 ZINC001151592021 843754554 /nfs/dbraw/zinc/75/45/54/843754554.db2.gz FDUHJOZBWRCSJL-UHFFFAOYSA-N -1 0 365.331 -0.727 20 0 FBADRM COc1ccc2[nH]c(C(=O)N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)cc2n1 ZINC001151624897 843754687 /nfs/dbraw/zinc/75/46/87/843754687.db2.gz XAVUYVIVVIVNMA-KGFZYKRKSA-N -1 0 354.344 -0.297 20 0 FBADRM COc1cc2cc(C(=O)N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)[nH]c2cn1 ZINC001151640070 843754504 /nfs/dbraw/zinc/75/45/04/843754504.db2.gz CQQBICMEMXUQLK-KGFZYKRKSA-N -1 0 354.344 -0.297 20 0 FBADRM CCOC(=O)CNC(=O)C1CCN(C(=O)CCCc2nnn[n-]2)CC1 ZINC001151709113 843755231 /nfs/dbraw/zinc/75/52/31/843755231.db2.gz KUGULIGHKBANEL-UHFFFAOYSA-N -1 0 352.395 -0.560 20 0 FBADRM CC(C)(CNC(=O)c1nc[n-]c(=O)c1Br)CS(N)(=O)=O ZINC001151838435 840717028 /nfs/dbraw/zinc/71/70/28/840717028.db2.gz BFFSDVUFAYDUFM-UHFFFAOYSA-N -1 0 367.225 -0.011 20 0 FBADRM COc1cc(C(=O)N2CC[C@@H](O)[C@@H](O)C2)cc([N-]S(C)(=O)=O)c1OC ZINC001151838943 843757426 /nfs/dbraw/zinc/75/74/26/843757426.db2.gz VEQFHOOBKSMQHL-NEPJUHHUSA-N -1 0 374.415 -0.357 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2nc3ccccc3[nH]c2=O)C(=O)N1S(=O)(=O)[O-] ZINC001151864811 843758081 /nfs/dbraw/zinc/75/80/81/843758081.db2.gz ZZKYGRWXHAIWAQ-RCOVLWMOSA-N -1 0 352.328 -0.945 20 0 FBADRM CN1C(=O)[C@H]2CN(C(=O)c3ccccc3[N-]S(C)(=O)=O)C[C@H]2C1=O ZINC001151914870 843759293 /nfs/dbraw/zinc/75/92/93/843759293.db2.gz QRBMJXQXSVWBCG-PHIMTYICSA-N -1 0 351.384 -0.255 20 0 FBADRM CC(C)(C)OC(=O)N1CCc2c(n[nH]c2C(=O)N[C@@H]2CO[N-]C2=O)C1 ZINC001151920440 843759160 /nfs/dbraw/zinc/75/91/60/843759160.db2.gz NNTFKRFIGZYTMM-SNVBAGLBSA-N -1 0 351.363 -0.137 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cc2c[nH]ccc-2n1 ZINC001151963597 843759221 /nfs/dbraw/zinc/75/92/21/843759221.db2.gz AXNISINCNHHBKL-UHFFFAOYSA-N -1 0 365.331 -0.727 20 0 FBADRM CC(C)(C)OC(=O)NC1CCN(CC(=O)NCc2nc(=O)o[n-]2)CC1 ZINC001151977340 843758784 /nfs/dbraw/zinc/75/87/84/843758784.db2.gz FVRHKIMLMBAXDN-UHFFFAOYSA-N -1 0 355.395 -0.032 20 0 FBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001152007161 843759714 /nfs/dbraw/zinc/75/97/14/843759714.db2.gz IJHJRLSVPNSVJX-BXKDBHETSA-N -1 0 357.388 -0.239 20 0 FBADRM O=C(NC[C@@]12COC(=O)N1CCOC2)c1nc[n-]c(=O)c1Br ZINC001152195630 843761802 /nfs/dbraw/zinc/76/18/02/843761802.db2.gz XQFVNCXYASKBRV-GFCCVEGCSA-N -1 0 373.163 -0.104 20 0 FBADRM O=C(NC[C@]12COC(=O)N1CCOC2)c1nc[n-]c(=O)c1Br ZINC001152195631 843761644 /nfs/dbraw/zinc/76/16/44/843761644.db2.gz XQFVNCXYASKBRV-LBPRGKRZSA-N -1 0 373.163 -0.104 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cnc2sccn21 ZINC001152213231 843761715 /nfs/dbraw/zinc/76/17/15/843761715.db2.gz NOLJQCGUSJTASC-UHFFFAOYSA-N -1 0 371.360 -0.894 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1nccc2cc[nH]c21 ZINC001152242811 843761614 /nfs/dbraw/zinc/76/16/14/843761614.db2.gz VVQWUIIKPNVSTQ-UHFFFAOYSA-N -1 0 365.331 -0.727 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cc2sccc2[nH]1 ZINC001152261225 841344115 /nfs/dbraw/zinc/34/41/15/841344115.db2.gz BYJIENIINFDQKT-UHFFFAOYSA-N -1 0 370.372 -0.060 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc3[nH]c(=S)[nH]c3c2)C(=O)N1S(=O)(=O)[O-] ZINC001152286859 843761680 /nfs/dbraw/zinc/76/16/80/843761680.db2.gz QGXZMBLXKWGNQF-CDUCUWFYSA-N -1 0 356.385 -0.017 20 0 FBADRM COC(=O)[C@H](CO)NC(=O)c1cnc(I)c([O-])c1 ZINC001152441498 843763753 /nfs/dbraw/zinc/76/37/53/843763753.db2.gz BVWBIYYLECTIHM-LURJTMIESA-N -1 0 366.111 -0.345 20 0 FBADRM Cc1nnc(CNC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)n1C ZINC001152442976 843764926 /nfs/dbraw/zinc/76/49/26/843764926.db2.gz YSBOHUPDMGATAA-UHFFFAOYSA-N -1 0 359.358 -0.004 20 0 FBADRM Cn1c(=O)nc([O-])c(N=O)c1NC(=O)c1cnc2n(c1=O)CCS2 ZINC001152505033 843764425 /nfs/dbraw/zinc/76/44/25/843764425.db2.gz SHYDTAPBOWIRKH-UHFFFAOYSA-N -1 0 350.316 -0.202 20 0 FBADRM N=C(NC(=O)c1cnc2n(c1=O)CCS2)SCCS(=O)(=O)[O-] ZINC001152505072 843764377 /nfs/dbraw/zinc/76/43/77/843764377.db2.gz VIEGJUKTVURWST-UHFFFAOYSA-N -1 0 364.430 -0.365 20 0 FBADRM Cc1nc2ccc(Cl)nn2c1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001152525342 843764725 /nfs/dbraw/zinc/76/47/25/843764725.db2.gz KZQFWYHHRCIHBF-RCOVLWMOSA-N -1 0 373.778 -0.177 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc3c(=O)cc[nH]c3c2)C(=O)N1S(=O)(=O)[O-] ZINC001152570362 843765787 /nfs/dbraw/zinc/76/57/87/843765787.db2.gz XPQGZMUPDMOUCO-MADCSZMMSA-N -1 0 351.340 -0.340 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cc2ccncc2[nH]1 ZINC001152575747 843765698 /nfs/dbraw/zinc/76/56/98/843765698.db2.gz KMOOIOUCZGDPIT-UHFFFAOYSA-N -1 0 365.331 -0.727 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cc(=O)c3cccc(O)c3[nH]2)C(=O)N1S(=O)(=O)[O-] ZINC001152679437 843765381 /nfs/dbraw/zinc/76/53/81/843765381.db2.gz ADMXWUAANIANSU-KGFZYKRKSA-N -1 0 367.339 -0.222 20 0 FBADRM COC(=O)[C@@H](CC1OCCO1)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001152694645 843766584 /nfs/dbraw/zinc/76/65/84/843766584.db2.gz KYGVJFMEDYRIHZ-SSDOTTSWSA-N -1 0 356.297 -0.136 20 0 FBADRM COC(=O)[C@H](CC1OCCO1)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001152694646 843766286 /nfs/dbraw/zinc/76/62/86/843766286.db2.gz KYGVJFMEDYRIHZ-ZETCQYMHSA-N -1 0 356.297 -0.136 20 0 FBADRM CS(=O)(=O)NC1CN(C(=O)c2sc(C(=O)[O-])c3c2OCCO3)C1 ZINC001152703538 843766363 /nfs/dbraw/zinc/76/63/63/843766363.db2.gz BRMGPCPCVKGGPJ-UHFFFAOYSA-N -1 0 362.385 -0.409 20 0 FBADRM O=C([O-])c1sc(C(=O)N2CCN3C(=O)COC[C@H]3C2)c2c1OCCO2 ZINC001152704373 843766304 /nfs/dbraw/zinc/76/63/04/843766304.db2.gz LKTSERGDYOKXEE-MRVPVSSYSA-N -1 0 368.367 -0.099 20 0 FBADRM O=C([O-])c1sc(C(=O)N2CCN3C(=O)COC[C@@H]3C2)c2c1OCCO2 ZINC001152704374 843766400 /nfs/dbraw/zinc/76/64/00/843766400.db2.gz LKTSERGDYOKXEE-QMMMGPOBSA-N -1 0 368.367 -0.099 20 0 FBADRM O=C([O-])c1sc(C(=O)N2CC(N3CCNC(=O)C3)C2)c2c1OCCO2 ZINC001152704627 843766571 /nfs/dbraw/zinc/76/65/71/843766571.db2.gz NSXAPYYFAISHFG-UHFFFAOYSA-N -1 0 367.383 -0.526 20 0 FBADRM CS(=O)(=O)N1CC(NC(=O)c2sc(C(=O)[O-])c3c2OCCO3)C1 ZINC001152707966 843766341 /nfs/dbraw/zinc/76/63/41/843766341.db2.gz NHKOBTTVDRMMMV-UHFFFAOYSA-N -1 0 362.385 -0.409 20 0 FBADRM O=C([O-])c1sc(C(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c2c1OCCO2 ZINC001152708209 843766501 /nfs/dbraw/zinc/76/65/01/843766501.db2.gz PRJPUVUQGQZEEM-XUTVFYLZSA-N -1 0 359.356 -0.950 20 0 FBADRM CNS(=O)(=O)CCNC(=O)c1sc(C(=O)[O-])c2c1OCCO2 ZINC001152708601 843766516 /nfs/dbraw/zinc/76/65/16/843766516.db2.gz XEWDGGIMLHPNSQ-UHFFFAOYSA-N -1 0 350.374 -0.504 20 0 FBADRM COC(=O)CNC(=O)CNC(=O)c1sc(C(=O)[O-])c2c1OCCO2 ZINC001152713713 843766557 /nfs/dbraw/zinc/76/65/57/843766557.db2.gz ORAHOAKLDGQDKE-UHFFFAOYSA-N -1 0 358.328 -0.764 20 0 FBADRM CN(C)S(=O)(=O)CCNC(=O)c1sc(C(=O)[O-])c2c1OCCO2 ZINC001152714020 843766328 /nfs/dbraw/zinc/76/63/28/843766328.db2.gz SYUFMWRCROVVIS-UHFFFAOYSA-N -1 0 364.401 -0.161 20 0 FBADRM COC(=O)CC[C@H](NC(=O)c1sc(C(=O)[O-])c2c1OCCO2)C(N)=O ZINC001152715628 843766368 /nfs/dbraw/zinc/76/63/68/843766368.db2.gz XCDCRUFFZVTTEV-LURJTMIESA-N -1 0 372.355 -0.246 20 0 FBADRM Cn1nnc2c(C(=O)Nc3nc[n-]c(=O)c3Br)ncn2c1=O ZINC001152746765 843767058 /nfs/dbraw/zinc/76/70/58/843767058.db2.gz KVAUNIKEAPGFEP-UHFFFAOYSA-N -1 0 367.123 -0.667 20 0 FBADRM CSc1nnc([N-]C(=O)c2ncn3c2nnn(C)c3=O)c(SC)n1 ZINC001152747209 843767367 /nfs/dbraw/zinc/76/73/67/843767367.db2.gz OFPCQBOLYAMVPX-UHFFFAOYSA-N -1 0 365.404 -0.296 20 0 FBADRM Cn1nnc2c(C(=O)[N-]c3nnc(Br)s3)ncn2c1=O ZINC001152747848 843767223 /nfs/dbraw/zinc/76/72/23/843767223.db2.gz YELWKPMRFXAGSM-UHFFFAOYSA-N -1 0 357.153 -0.311 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001152817173 843768243 /nfs/dbraw/zinc/76/82/43/843768243.db2.gz SUUBRDGXQMLMMC-SSDOTTSWSA-N -1 0 353.285 -0.111 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001152817175 843768313 /nfs/dbraw/zinc/76/83/13/843768313.db2.gz SUUBRDGXQMLMMC-ZETCQYMHSA-N -1 0 353.285 -0.111 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc3c(c2)N(C)C(=O)C3)C(=O)N1S(=O)(=O)[O-] ZINC001152828372 843769202 /nfs/dbraw/zinc/76/92/02/843769202.db2.gz XCBLXNUGHPSYFF-MADCSZMMSA-N -1 0 353.356 -0.663 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccn2nccc2c1 ZINC001152834394 843769127 /nfs/dbraw/zinc/76/91/27/843769127.db2.gz HOOASFJFTLDWMN-UHFFFAOYSA-N -1 0 365.331 -0.955 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)co1 ZINC001152850685 843769313 /nfs/dbraw/zinc/76/93/13/843769313.db2.gz DYEABYQNVPUODK-UHFFFAOYSA-N -1 0 355.294 -0.323 20 0 FBADRM Cc1cc(S(N)(=O)=O)oc1C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC001152851326 843769045 /nfs/dbraw/zinc/76/90/45/843769045.db2.gz LYCGGBMHQKNCSL-UHFFFAOYSA-N -1 0 369.321 -0.014 20 0 FBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC(CNC(=O)C(F)(F)F)C1 ZINC001152851747 843769159 /nfs/dbraw/zinc/76/91/59/843769159.db2.gz UCEMXSCFLRTQLI-UHFFFAOYSA-N -1 0 351.285 -0.394 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@H](CO)[C@@H]1CCOC1 ZINC001152904134 843768835 /nfs/dbraw/zinc/76/88/35/843768835.db2.gz MAAOIJVGRXSVCG-BXKDBHETSA-N -1 0 364.370 -0.243 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@@H](CO)[C@H]1CCOC1 ZINC001152904146 843769216 /nfs/dbraw/zinc/76/92/16/843769216.db2.gz MAAOIJVGRXSVCG-CABZTGNLSA-N -1 0 364.370 -0.243 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@H](CO)[C@H]1CCOC1 ZINC001152904148 843769253 /nfs/dbraw/zinc/76/92/53/843769253.db2.gz MAAOIJVGRXSVCG-JOYOIKCWSA-N -1 0 364.370 -0.243 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@@H](CO)[C@@H]1CCOC1 ZINC001152904149 843770138 /nfs/dbraw/zinc/77/01/38/843770138.db2.gz MAAOIJVGRXSVCG-SKDRFNHKSA-N -1 0 364.370 -0.243 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cc3c(ncnc3Cl)n2C)C(=O)N1S(=O)(=O)[O-] ZINC001152930873 843769841 /nfs/dbraw/zinc/76/98/41/843769841.db2.gz TWLYLHRILKPMMB-XNCJUZBTSA-N -1 0 373.778 -0.246 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2c[nH]c3c2ncnc3Cl)C(=O)N1S(=O)(=O)[O-] ZINC001152946579 841726350 /nfs/dbraw/zinc/72/63/50/841726350.db2.gz KKBDYUCBYFJQHL-NJGYIYPDSA-N -1 0 359.751 -0.257 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cnc2cc[nH]cc1-2 ZINC001152969332 843770099 /nfs/dbraw/zinc/77/00/99/843770099.db2.gz KXQSJHVATAEPMC-UHFFFAOYSA-N -1 0 365.331 -0.727 20 0 FBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001153000905 843769732 /nfs/dbraw/zinc/76/97/32/843769732.db2.gz HANKJWHUKPJBKA-NXEZZACHSA-N -1 0 362.481 -0.423 20 0 FBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001153000910 843769646 /nfs/dbraw/zinc/76/96/46/843769646.db2.gz HANKJWHUKPJBKA-UWVGGRQHSA-N -1 0 362.481 -0.423 20 0 FBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001153000912 843770114 /nfs/dbraw/zinc/77/01/14/843770114.db2.gz HANKJWHUKPJBKA-VHSXEESVSA-N -1 0 362.481 -0.423 20 0 FBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001153000913 843769875 /nfs/dbraw/zinc/76/98/75/843769875.db2.gz HANKJWHUKPJBKA-ZJUUUORDSA-N -1 0 362.481 -0.423 20 0 FBADRM CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001153000919 843769953 /nfs/dbraw/zinc/76/99/53/843769953.db2.gz HBLVBGHXRWGLSF-JTQLQIEISA-N -1 0 352.395 -0.389 20 0 FBADRM CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001153000921 843770293 /nfs/dbraw/zinc/77/02/93/843770293.db2.gz HBLVBGHXRWGLSF-SNVBAGLBSA-N -1 0 352.395 -0.389 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)cn1 ZINC001153001295 843770189 /nfs/dbraw/zinc/77/01/89/843770189.db2.gz JUCBQOPAFXDOEX-JTQLQIEISA-N -1 0 351.392 -0.525 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)cn1 ZINC001153001296 843770002 /nfs/dbraw/zinc/77/00/02/843770002.db2.gz JUCBQOPAFXDOEX-SNVBAGLBSA-N -1 0 351.392 -0.525 20 0 FBADRM NS(=O)(=O)c1ccc(SCC(=O)N2CC[C@@H](c3nnn[n-]3)C2)cc1 ZINC001153001369 843771035 /nfs/dbraw/zinc/77/10/35/843771035.db2.gz LOYMOLMVKJBXKU-SECBINFHSA-N -1 0 368.444 -0.045 20 0 FBADRM NS(=O)(=O)c1ccc(SCC(=O)N2CC[C@H](c3nnn[n-]3)C2)cc1 ZINC001153001371 843770906 /nfs/dbraw/zinc/77/09/06/843770906.db2.gz LOYMOLMVKJBXKU-VIFPVBQESA-N -1 0 368.444 -0.045 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1c[nH]c2cnccc21 ZINC001153002219 843770972 /nfs/dbraw/zinc/77/09/72/843770972.db2.gz LTXYSGXETARFSJ-UHFFFAOYSA-N -1 0 365.331 -0.727 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ncn2ccccc12 ZINC001153029290 843770888 /nfs/dbraw/zinc/77/08/88/843770888.db2.gz PHHJPCVDKCOWRR-UHFFFAOYSA-N -1 0 365.331 -0.955 20 0 FBADRM COC(=O)[C@@]1(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C[C@H](O)C1 ZINC001153063896 843770800 /nfs/dbraw/zinc/77/08/00/843770800.db2.gz VAGWLZCMPPTUAL-DXPFQBAHSA-N -1 0 372.399 -0.561 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cnc3ccc(Cl)nn32)C(=O)N1S(=O)(=O)[O-] ZINC001153213322 843773012 /nfs/dbraw/zinc/77/30/12/843773012.db2.gz FJKUPZGJZUYGCS-CDUCUWFYSA-N -1 0 359.751 -0.485 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1c[nH]c2cccnc21 ZINC001153239239 843772897 /nfs/dbraw/zinc/77/28/97/843772897.db2.gz ODMKNTMLDCYKOZ-UHFFFAOYSA-N -1 0 365.331 -0.727 20 0 FBADRM COC(=O)[C@]1(O)CCN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC001153269312 843773681 /nfs/dbraw/zinc/77/36/81/843773681.db2.gz IRHSSUVPBVDTPI-INIZCTEOSA-N -1 0 363.395 -0.178 20 0 FBADRM COC(=O)[C@@]1(O)CCN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC001153269313 843773956 /nfs/dbraw/zinc/77/39/56/843773956.db2.gz IRHSSUVPBVDTPI-MRXNPFEDSA-N -1 0 363.395 -0.178 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cc2ccoc2cn1 ZINC001153304295 843773875 /nfs/dbraw/zinc/77/38/75/843773875.db2.gz ZNSPXBVWUNACBW-UHFFFAOYSA-N -1 0 366.315 -0.462 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccc2c(c1)OCC2 ZINC001153350725 843774024 /nfs/dbraw/zinc/77/40/24/843774024.db2.gz ARGYOSLUUGOAFZ-UHFFFAOYSA-N -1 0 367.343 -0.668 20 0 FBADRM CS(=O)(=O)N1CCC(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001153422789 843774931 /nfs/dbraw/zinc/77/49/31/843774931.db2.gz RTQUBAZPIUGOFM-UHFFFAOYSA-N -1 0 361.424 -0.743 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1nnc2n1CCNC2=O ZINC001153542491 843775821 /nfs/dbraw/zinc/77/58/21/843775821.db2.gz AOEGMCHISQCEAJ-UHFFFAOYSA-N -1 0 364.387 -0.677 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cccc2ccnn21 ZINC001153557439 843775534 /nfs/dbraw/zinc/77/55/34/843775534.db2.gz SARHTLNOTPXHPH-UHFFFAOYSA-N -1 0 365.331 -0.955 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1nc2ccccc2o1 ZINC001153572706 843775806 /nfs/dbraw/zinc/77/58/06/843775806.db2.gz BULJUYRCBNDNSK-UHFFFAOYSA-N -1 0 366.315 -0.462 20 0 FBADRM Cn1ncnc1C1(O)CN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)C1 ZINC001153624703 843776433 /nfs/dbraw/zinc/77/64/33/843776433.db2.gz ABLMSBKAIGABJQ-UHFFFAOYSA-N -1 0 369.378 -0.331 20 0 FBADRM CCn1nc(C(=O)NCS(=O)(=O)[O-])c(=O)c2cc3c(cc21)OCO3 ZINC001153670616 843776280 /nfs/dbraw/zinc/77/62/80/843776280.db2.gz OLNMYIXQCGUWGM-UHFFFAOYSA-N -1 0 355.328 -0.280 20 0 FBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001153685654 843776465 /nfs/dbraw/zinc/77/64/65/843776465.db2.gz VBSJBUPGQURVJP-GFCCVEGCSA-N -1 0 350.404 -0.276 20 0 FBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001153685658 843776427 /nfs/dbraw/zinc/77/64/27/843776427.db2.gz VBSJBUPGQURVJP-LBPRGKRZSA-N -1 0 350.404 -0.276 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cc2ncccc2o1 ZINC001153691828 843776543 /nfs/dbraw/zinc/77/65/43/843776543.db2.gz XBEFRICZPVIKPZ-UHFFFAOYSA-N -1 0 366.315 -0.462 20 0 FBADRM COC(=O)[C@@H]1[C@H](CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)C1(F)F ZINC001153694768 843776495 /nfs/dbraw/zinc/77/64/95/843776495.db2.gz IZBMSMKSORDWQM-UWVGGRQHSA-N -1 0 352.301 -0.141 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cc3cccnc3[nH]c2=O)C(=O)N1S(=O)(=O)[O-] ZINC001153750024 843777635 /nfs/dbraw/zinc/77/76/35/843777635.db2.gz DVFOTLXHQIIBQI-RCOVLWMOSA-N -1 0 352.328 -0.533 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc3c(c2)nc[nH]c3=O)C(=O)N1S(=O)(=O)[O-] ZINC001153763306 843777657 /nfs/dbraw/zinc/77/76/57/843777657.db2.gz WHVRTVKUZFDQFZ-WKEGUHRASA-N -1 0 352.328 -0.533 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc3c(c2)[nH]c(=O)[nH]c3=O)C(=O)N1S(=O)(=O)[O-] ZINC001153799124 843777265 /nfs/dbraw/zinc/77/72/65/843777265.db2.gz OWXIVWNBCQUZQY-CDUCUWFYSA-N -1 0 368.327 -0.827 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cccc3nc(N)ccc32)C(=O)N1S(=O)(=O)[O-] ZINC001153810442 843778147 /nfs/dbraw/zinc/77/81/47/843778147.db2.gz FFXSQNPXFLEXFG-MADCSZMMSA-N -1 0 350.356 -0.051 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N(Cc2nnn[n-]2)CC(C)C)cn1 ZINC001153812325 843778485 /nfs/dbraw/zinc/77/84/85/843778485.db2.gz VCBBPSOLEONPSY-UHFFFAOYSA-N -1 0 353.408 -0.199 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc3[nH]c(=O)ccc3c2)C(=O)N1S(=O)(=O)[O-] ZINC001153838834 843778241 /nfs/dbraw/zinc/77/82/41/843778241.db2.gz PBFVWDQFZJPEBH-MADCSZMMSA-N -1 0 351.340 -0.340 20 0 FBADRM Cn1nnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3C[C@@H](O)C3)cc2)n1 ZINC001153838914 843778648 /nfs/dbraw/zinc/77/86/48/843778648.db2.gz AUTPRTQVYZLEDZ-WAAGHKOSSA-N -1 0 352.376 -0.280 20 0 FBADRM Cn1nnc([N-]S(=O)(=O)c2ccc(NC(=O)CC3COC3)cc2)n1 ZINC001153839241 843779954 /nfs/dbraw/zinc/77/99/54/843779954.db2.gz IFDSZWJGDPMYHM-UHFFFAOYSA-N -1 0 352.376 -0.014 20 0 FBADRM CC(C)[C@H](O)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nnn(C)n2)cc1 ZINC001153839253 843779733 /nfs/dbraw/zinc/77/97/33/843779733.db2.gz IRHHLZYTGWPRRP-NSHDSACASA-N -1 0 354.392 -0.034 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cnc3cccnc3c2O)C(=O)N1S(=O)(=O)[O-] ZINC001153860289 843779793 /nfs/dbraw/zinc/77/97/93/843779793.db2.gz LCZXJVQGPOTXCR-RCOVLWMOSA-N -1 0 352.328 -0.945 20 0 FBADRM O=C(CNS(=O)(=O)c1cccc(F)c1)NC1(c2nnn[n-]2)CCC1 ZINC001153871248 843779823 /nfs/dbraw/zinc/77/98/23/843779823.db2.gz CYXGLICLCAEWNV-UHFFFAOYSA-N -1 0 354.367 -0.187 20 0 FBADRM Cc1ccc(-n2[n-]c(C(=O)NC(C)(C)CNS(N)(=O)=O)cc2=O)cc1 ZINC001153912745 843780592 /nfs/dbraw/zinc/78/05/92/843780592.db2.gz PEPHKZBEKUMSDM-UHFFFAOYSA-N -1 0 367.431 -0.224 20 0 FBADRM CCOC(=O)[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)[C@H]1CCCOC1 ZINC001153995563 843782217 /nfs/dbraw/zinc/78/22/17/843782217.db2.gz UWSGSTZCTGBJMO-CMPLNLGQSA-N -1 0 356.379 -0.056 20 0 FBADRM CCOC(=O)[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)[C@H]1CCCOC1 ZINC001153995564 843782532 /nfs/dbraw/zinc/78/25/32/843782532.db2.gz UWSGSTZCTGBJMO-JQWIXIFHSA-N -1 0 356.379 -0.056 20 0 FBADRM CCOC(=O)[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)[C@@H]1CCCOC1 ZINC001153995565 843782859 /nfs/dbraw/zinc/78/28/59/843782859.db2.gz UWSGSTZCTGBJMO-PWSUYJOCSA-N -1 0 356.379 -0.056 20 0 FBADRM CCOC(=O)[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)[C@@H]1CCCOC1 ZINC001153995566 843782808 /nfs/dbraw/zinc/78/28/08/843782808.db2.gz UWSGSTZCTGBJMO-ZYHUDNBSSA-N -1 0 356.379 -0.056 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc3nnc(C4CC4)n3c2)C(=O)N1S(=O)(=O)[O-] ZINC001153997155 843783353 /nfs/dbraw/zinc/78/33/53/843783353.db2.gz RIGVZGJUJNFOLW-CPCISQLKSA-N -1 0 365.371 -0.261 20 0 FBADRM CC(=O)NCCN(C(=O)CCc1nnn[n-]1)[C@@H](C)C(=O)OC(C)(C)C ZINC001154011545 843783916 /nfs/dbraw/zinc/78/39/16/843783916.db2.gz IPAIUPZASZGATL-JTQLQIEISA-N -1 0 354.411 -0.173 20 0 FBADRM CC(=O)NCCN(C(=O)CCc1nnn[n-]1)[C@H](C)C(=O)OC(C)(C)C ZINC001154011546 843783299 /nfs/dbraw/zinc/78/32/99/843783299.db2.gz IPAIUPZASZGATL-SNVBAGLBSA-N -1 0 354.411 -0.173 20 0 FBADRM Cc1nc2ccc(F)cn2c1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001154018915 843783756 /nfs/dbraw/zinc/78/37/56/843783756.db2.gz KGVFYFSLZXSJJY-XVKPBYJWSA-N -1 0 356.335 -0.086 20 0 FBADRM COC(=O)CCN(CC(OC)OC)C(=O)c1c[n-]n2c1nccc2=O ZINC001154020820 843784877 /nfs/dbraw/zinc/78/48/77/843784877.db2.gz KTLNITFMNMNICL-UHFFFAOYSA-N -1 0 352.347 -0.353 20 0 FBADRM CN1CCn2nc(C(=O)[N-]N3Cc4ccccc4C3=O)cc2S1(=O)=O ZINC001154048549 843784997 /nfs/dbraw/zinc/78/49/97/843784997.db2.gz WZMYAGFOGXMOEM-UHFFFAOYSA-N -1 0 361.383 -0.182 20 0 FBADRM CC(=O)OC[C@@H](CO)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001154152398 843786065 /nfs/dbraw/zinc/78/60/65/843786065.db2.gz ZXYRFGBXVVEKKZ-SECBINFHSA-N -1 0 366.342 -0.717 20 0 FBADRM CC(=O)OC[C@H](CO)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001154152399 843785778 /nfs/dbraw/zinc/78/57/78/843785778.db2.gz ZXYRFGBXVVEKKZ-VIFPVBQESA-N -1 0 366.342 -0.717 20 0 FBADRM Cc1nn(-c2cccnc2)nc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001154154161 843786223 /nfs/dbraw/zinc/78/62/23/843786223.db2.gz FRLSMJKQBGPOAT-UHFFFAOYSA-N -1 0 352.376 -0.834 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CNC(=O)c1ccccc1Cl ZINC001154154204 843786673 /nfs/dbraw/zinc/78/66/73/843786673.db2.gz GYDDIONDBKDCPE-UHFFFAOYSA-N -1 0 361.807 -0.348 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(=O)[nH]cc1Br ZINC001154154987 843786598 /nfs/dbraw/zinc/78/65/98/843786598.db2.gz OQSJIUPXYPEQMV-UHFFFAOYSA-N -1 0 366.193 -0.255 20 0 FBADRM CCOC(=O)N1CSC[C@@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001154155525 843786890 /nfs/dbraw/zinc/78/68/90/843786890.db2.gz UVAOPRJXPXYMSU-MRVPVSSYSA-N -1 0 353.422 -0.900 20 0 FBADRM CCOC(=O)N1CSC[C@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001154155526 843787029 /nfs/dbraw/zinc/78/70/29/843787029.db2.gz UVAOPRJXPXYMSU-QMMMGPOBSA-N -1 0 353.422 -0.900 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C[C@H]1C(=O)Nc2c1cccc2F ZINC001154155796 843786824 /nfs/dbraw/zinc/78/68/24/843786824.db2.gz WHCMGZTXJYZBJV-SECBINFHSA-N -1 0 357.363 -0.166 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C[C@@H]1C(=O)Nc2c1cccc2F ZINC001154155797 843786869 /nfs/dbraw/zinc/78/68/69/843786869.db2.gz WHCMGZTXJYZBJV-VIFPVBQESA-N -1 0 357.363 -0.166 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C[C@H]1CCC2(CCOCC2)CO1 ZINC001154155863 843787143 /nfs/dbraw/zinc/78/71/43/843787143.db2.gz YIQVLVCZAYDYLJ-GFCCVEGCSA-N -1 0 362.448 -0.066 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C[C@@H]1CCC2(CCOCC2)CO1 ZINC001154155870 843787057 /nfs/dbraw/zinc/78/70/57/843787057.db2.gz YIQVLVCZAYDYLJ-LBPRGKRZSA-N -1 0 362.448 -0.066 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2nc3c(s2)CN(C)CC3)C(=O)N1S(=O)(=O)[O-] ZINC001154222580 843787978 /nfs/dbraw/zinc/78/79/78/843787978.db2.gz GRHWVLSRXXOQTJ-RCOVLWMOSA-N -1 0 360.417 -0.737 20 0 FBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001154223573 843787766 /nfs/dbraw/zinc/78/77/66/843787766.db2.gz KHEKKDLELPAHBI-FGWVZKOKSA-N -1 0 358.420 -0.059 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)cn1 ZINC001154246551 843788624 /nfs/dbraw/zinc/78/86/24/843788624.db2.gz IPLDKCCZEHRWGE-NEPJUHHUSA-N -1 0 373.456 -0.040 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)cn1 ZINC001154246552 843788609 /nfs/dbraw/zinc/78/86/09/843788609.db2.gz IPLDKCCZEHRWGE-NWDGAFQWSA-N -1 0 373.456 -0.040 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)cn1 ZINC001154246553 843788677 /nfs/dbraw/zinc/78/86/77/843788677.db2.gz IPLDKCCZEHRWGE-RYUDHWBXSA-N -1 0 373.456 -0.040 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)cn1 ZINC001154246554 843788792 /nfs/dbraw/zinc/78/87/92/843788792.db2.gz IPLDKCCZEHRWGE-VXGBXAGGSA-N -1 0 373.456 -0.040 20 0 FBADRM CC(=O)N1CCc2cc(C(=O)N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)ccc21 ZINC001154277896 843789468 /nfs/dbraw/zinc/78/94/68/843789468.db2.gz XMAIBBRSXPYZIE-SDBXPKJASA-N -1 0 367.383 -0.273 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cc3ccccc3nc2N)C(=O)N1S(=O)(=O)[O-] ZINC001154289263 843789733 /nfs/dbraw/zinc/78/97/33/843789733.db2.gz MSIIFLGVILVGQH-CPCISQLKSA-N -1 0 350.356 -0.051 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc3c(=O)[nH][nH]c(=O)c3c2)C(=O)N1S(=O)(=O)[O-] ZINC001154319127 843789355 /nfs/dbraw/zinc/78/93/55/843789355.db2.gz RAJBKQLOCNHVHM-CDUCUWFYSA-N -1 0 368.327 -0.827 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cccc3c2C(=O)N(C)C3)C(=O)N1S(=O)(=O)[O-] ZINC001154330738 843790509 /nfs/dbraw/zinc/79/05/09/843790509.db2.gz JXNLOYZMDNBHJU-CPCISQLKSA-N -1 0 353.356 -0.596 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cnn3c2OCC(C)(C)C3)C(=O)N1S(=O)(=O)[O-] ZINC001154369112 843790312 /nfs/dbraw/zinc/79/03/12/843790312.db2.gz FOOUQUANPFFJNY-CBAPKCEASA-N -1 0 358.376 -0.566 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1onc2ccccc21 ZINC001154373060 843790558 /nfs/dbraw/zinc/79/05/58/843790558.db2.gz YSFBBYYLJPRURA-UHFFFAOYSA-N -1 0 366.315 -0.462 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCC[C@@H]2CNC(=O)C2)c1 ZINC001154378677 843790587 /nfs/dbraw/zinc/79/05/87/843790587.db2.gz KEXQZOUHJNOUQR-JTQLQIEISA-N -1 0 355.416 -0.102 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCC[C@H]2CNC(=O)C2)c1 ZINC001154378678 843790268 /nfs/dbraw/zinc/79/02/68/843790268.db2.gz KEXQZOUHJNOUQR-SNVBAGLBSA-N -1 0 355.416 -0.102 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NCC[C@H]1CNC(=O)C1 ZINC001154378748 843791909 /nfs/dbraw/zinc/79/19/09/843791909.db2.gz MLDAPTMARGLPIR-SECBINFHSA-N -1 0 361.370 -0.115 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NCC[C@@H]1CNC(=O)C1 ZINC001154378749 843791695 /nfs/dbraw/zinc/79/16/95/843791695.db2.gz MLDAPTMARGLPIR-VIFPVBQESA-N -1 0 361.370 -0.115 20 0 FBADRM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001154422290 843791781 /nfs/dbraw/zinc/79/17/81/843791781.db2.gz KRQRXBYDDQPELB-OWTLIXCDSA-N -1 0 353.423 -0.112 20 0 FBADRM CCS(=O)(=O)c1ccccc1CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001154466417 843792532 /nfs/dbraw/zinc/79/25/32/843792532.db2.gz MDSQMBSGJOQQRT-UHFFFAOYSA-N -1 0 354.388 -0.158 20 0 FBADRM COc1ccc2c(c1)n[nH]c2C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001154472062 843792762 /nfs/dbraw/zinc/79/27/62/843792762.db2.gz HIZDLIBZQQNKHM-WKEGUHRASA-N -1 0 354.344 -0.297 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cccc2nccn21 ZINC001154517242 843792382 /nfs/dbraw/zinc/79/23/82/843792382.db2.gz DSVXJKTVMZSZDY-UHFFFAOYSA-N -1 0 365.331 -0.955 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cc2cccnn2c1 ZINC001154582974 843793752 /nfs/dbraw/zinc/79/37/52/843793752.db2.gz UQHPOVSRXMRKDB-UHFFFAOYSA-N -1 0 365.331 -0.955 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cnc3c(c2)NC(=O)CS3)C(=O)N1S(=O)(=O)[O-] ZINC001154636010 843793840 /nfs/dbraw/zinc/79/38/40/843793840.db2.gz IGWDUELMPYKNFL-CDUCUWFYSA-N -1 0 372.384 -0.742 20 0 FBADRM Cn1cc(C(=O)NC(=N)SCCS(=O)(=O)[O-])c(=O)c2cccn21 ZINC001154654341 843793502 /nfs/dbraw/zinc/79/35/02/843793502.db2.gz JPGHQJAVKOIMAF-UHFFFAOYSA-N -1 0 358.401 -0.076 20 0 FBADRM CC(=O)[N-]S(=O)(=O)c1ccc(NCCC(=O)N2CCOCC2)nc1 ZINC001154664110 843793415 /nfs/dbraw/zinc/79/34/15/843793415.db2.gz UWLPEZVIGKMRMI-UHFFFAOYSA-N -1 0 356.404 -0.433 20 0 FBADRM CCOC(=O)c1n[nH]nc1[C@@H]1CCCN1C(=O)CS(=O)(=O)CCOC ZINC001154685354 843793706 /nfs/dbraw/zinc/79/37/06/843793706.db2.gz BVZIDOFVXVNJDX-JTQLQIEISA-N -1 0 374.419 -0.294 20 0 FBADRM O=C([C@@H]1CCC(=O)N1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001154701717 843794628 /nfs/dbraw/zinc/79/46/28/843794628.db2.gz AXFOFSVORAGRMV-VIFPVBQESA-N -1 0 372.369 -0.758 20 0 FBADRM Cn1cnc(C(=O)N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)n1 ZINC001154702160 843794900 /nfs/dbraw/zinc/79/49/00/843794900.db2.gz GNZLFVRCJCWGEE-UHFFFAOYSA-N -1 0 370.357 -0.594 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc3c(c2)OCCN3C)C(=O)N1S(=O)(=O)[O-] ZINC001154728298 843794605 /nfs/dbraw/zinc/79/46/05/843794605.db2.gz MVJDJILOVHMBPW-UFBFGSQYSA-N -1 0 355.372 -0.353 20 0 FBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001154774961 843795830 /nfs/dbraw/zinc/79/58/30/843795830.db2.gz CFUIOJBRDAYVPR-GHMZBOCLSA-N -1 0 374.492 -0.077 20 0 FBADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC001154774962 843795380 /nfs/dbraw/zinc/79/53/80/843795380.db2.gz CFUIOJBRDAYVPR-WDEREUQCSA-N -1 0 374.492 -0.077 20 0 FBADRM C[C@]1(CCCC(=O)N2CCSC[C@@H]2c2nnn[n-]2)NC(=O)NC1=O ZINC001154774972 843795462 /nfs/dbraw/zinc/79/54/62/843795462.db2.gz COTNBAPCIXGYBV-AMIZOPFISA-N -1 0 353.408 -0.415 20 0 FBADRM C[C@]1(CCCC(=O)N2CCSC[C@H]2c2nnn[n-]2)NC(=O)NC1=O ZINC001154774973 843795973 /nfs/dbraw/zinc/79/59/73/843795973.db2.gz COTNBAPCIXGYBV-ISVAXAHUSA-N -1 0 353.408 -0.415 20 0 FBADRM C[C@@]1(CCCC(=O)N2CCSC[C@@H]2c2nnn[n-]2)NC(=O)NC1=O ZINC001154774974 843795941 /nfs/dbraw/zinc/79/59/41/843795941.db2.gz COTNBAPCIXGYBV-OQPBUACISA-N -1 0 353.408 -0.415 20 0 FBADRM C[C@@]1(CCCC(=O)N2CCSC[C@H]2c2nnn[n-]2)NC(=O)NC1=O ZINC001154774975 843795795 /nfs/dbraw/zinc/79/57/95/843795795.db2.gz COTNBAPCIXGYBV-SDBXPKJASA-N -1 0 353.408 -0.415 20 0 FBADRM COCCn1cc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)ccc1=O ZINC001154776061 843795539 /nfs/dbraw/zinc/79/55/39/843795539.db2.gz ILHNVMHNMFEXPQ-LLVKDONJSA-N -1 0 350.404 -0.062 20 0 FBADRM COCCn1cc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)ccc1=O ZINC001154776062 843796005 /nfs/dbraw/zinc/79/60/05/843796005.db2.gz ILHNVMHNMFEXPQ-NSHDSACASA-N -1 0 350.404 -0.062 20 0 FBADRM NS(=O)(=O)Cc1cccc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)c1 ZINC001154776925 843795335 /nfs/dbraw/zinc/79/53/35/843795335.db2.gz NRRBFTJJXKJRHR-LLVKDONJSA-N -1 0 368.444 -0.082 20 0 FBADRM NS(=O)(=O)Cc1cccc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)c1 ZINC001154776926 843795886 /nfs/dbraw/zinc/79/58/86/843795886.db2.gz NRRBFTJJXKJRHR-NSHDSACASA-N -1 0 368.444 -0.082 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cnn3ccc(Cl)nc23)C(=O)N1S(=O)(=O)[O-] ZINC001154781311 843795317 /nfs/dbraw/zinc/79/53/17/843795317.db2.gz KFTSITBWQQJOHA-XNCJUZBTSA-N -1 0 359.751 -0.485 20 0 FBADRM COc1cc2n[nH]cc2cc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001154798868 843795859 /nfs/dbraw/zinc/79/58/59/843795859.db2.gz BBQSFKQVYZMKOK-KGFZYKRKSA-N -1 0 354.344 -0.297 20 0 FBADRM CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)[N-]OCCO ZINC001154856862 843797094 /nfs/dbraw/zinc/79/70/94/843797094.db2.gz YZRBSEGRRSALEB-CYBMUJFWSA-N -1 0 374.415 -0.244 20 0 FBADRM CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[N-]OCCO ZINC001154856864 843796579 /nfs/dbraw/zinc/79/65/79/843796579.db2.gz YZRBSEGRRSALEB-ZDUSSCGKSA-N -1 0 374.415 -0.244 20 0 FBADRM Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)c2c[n-]ncc2=O)cn1 ZINC001154895274 843797412 /nfs/dbraw/zinc/79/74/12/843797412.db2.gz LTNSIWRNTLUUGV-GFCCVEGCSA-N -1 0 351.388 -0.082 20 0 FBADRM Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)c2c[n-]ncc2=O)cn1 ZINC001154895275 843797445 /nfs/dbraw/zinc/79/74/45/843797445.db2.gz LTNSIWRNTLUUGV-LBPRGKRZSA-N -1 0 351.388 -0.082 20 0 FBADRM Cn1nnnc1CNC(=O)c1cnc(I)c([O-])c1 ZINC001154929651 843799128 /nfs/dbraw/zinc/79/91/28/843799128.db2.gz XEVSPGFXULZRHM-UHFFFAOYSA-N -1 0 360.115 -0.155 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cc2[nH]ccc2cn1 ZINC001154953376 843798722 /nfs/dbraw/zinc/79/87/22/843798722.db2.gz IKPNTZUALKCKKT-UHFFFAOYSA-N -1 0 365.331 -0.727 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCn1ccc(=O)[nH]c1=O ZINC001155042636 843800405 /nfs/dbraw/zinc/80/04/05/843800405.db2.gz DANVPBPBCOMDFL-UHFFFAOYSA-N -1 0 352.372 -0.250 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)cc1 ZINC001155134627 843800931 /nfs/dbraw/zinc/80/09/31/843800931.db2.gz JYISHZGXDFFIOD-GFCCVEGCSA-N -1 0 364.431 -0.129 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)cc1 ZINC001155134629 843800853 /nfs/dbraw/zinc/80/08/53/843800853.db2.gz JYISHZGXDFFIOD-LBPRGKRZSA-N -1 0 364.431 -0.129 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2nc3ccc(Cl)nc3[nH]2)C(=O)N1S(=O)(=O)[O-] ZINC001155183533 843802626 /nfs/dbraw/zinc/80/26/26/843802626.db2.gz ZUKLVAGKQSZKIC-FFWSUHOLSA-N -1 0 359.751 -0.257 20 0 FBADRM O=C(CCCc1nnn[n-]1)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC001155188930 843802127 /nfs/dbraw/zinc/80/21/27/843802127.db2.gz AQOXERGCFWUYQO-UHFFFAOYSA-N -1 0 374.373 -0.105 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 ZINC001155192881 843802796 /nfs/dbraw/zinc/80/27/96/843802796.db2.gz JRIKBHFAGIUGAQ-LURJTMIESA-N -1 0 361.284 -0.278 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 ZINC001155192888 843802044 /nfs/dbraw/zinc/80/20/44/843802044.db2.gz JRIKBHFAGIUGAQ-ZCFIWIBFSA-N -1 0 361.284 -0.278 20 0 FBADRM COC(=O)[C@H]1CN(c2ccc(S(=O)(=O)[N-]C(C)=O)cn2)CCN1C ZINC001155230136 843803131 /nfs/dbraw/zinc/80/31/31/843803131.db2.gz SBGKMEQLRBIPPI-GFCCVEGCSA-N -1 0 356.404 -0.800 20 0 FBADRM COC(=O)[C@@H]1CN(c2ccc(S(=O)(=O)[N-]C(C)=O)cn2)CCN1C ZINC001155230137 843803970 /nfs/dbraw/zinc/80/39/70/843803970.db2.gz SBGKMEQLRBIPPI-LBPRGKRZSA-N -1 0 356.404 -0.800 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cc2scnc2[nH]1 ZINC001155512978 843809732 /nfs/dbraw/zinc/80/97/32/843809732.db2.gz UVUQNTDVAHYNHH-UHFFFAOYSA-N -1 0 371.360 -0.665 20 0 FBADRM Cn1cc(Br)c(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)n1 ZINC001155515937 843809877 /nfs/dbraw/zinc/80/98/77/843809877.db2.gz JAKBBCVWNGOGMF-UHFFFAOYSA-N -1 0 356.184 -0.181 20 0 FBADRM CS(=O)(=O)N1CCC(N(CC(F)F)C(=O)CCc2nnn[n-]2)CC1 ZINC001155516187 843810283 /nfs/dbraw/zinc/81/02/83/843810283.db2.gz PEHFWQVISXYRTE-UHFFFAOYSA-N -1 0 366.394 -0.350 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(O)(c3nnn[n-]3)CC2)C1 ZINC001155516349 843809368 /nfs/dbraw/zinc/80/93/68/843809368.db2.gz RFIYWCXEZYNXPR-LLVKDONJSA-N -1 0 372.451 -0.929 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(O)(c3nnn[n-]3)CC2)C1 ZINC001155516350 843809525 /nfs/dbraw/zinc/80/95/25/843809525.db2.gz RFIYWCXEZYNXPR-NSHDSACASA-N -1 0 372.451 -0.929 20 0 FBADRM CO[C@](C)(C(=O)OC(C)(C)C)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001155520295 843809650 /nfs/dbraw/zinc/80/96/50/843809650.db2.gz BFNZQYIZPDWMLH-AWEZNQCLSA-N -1 0 355.395 -0.244 20 0 FBADRM CO[C@@](C)(C(=O)OC(C)(C)C)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001155520296 843810171 /nfs/dbraw/zinc/81/01/71/843810171.db2.gz BFNZQYIZPDWMLH-CQSZACIVSA-N -1 0 355.395 -0.244 20 0 FBADRM O=C([C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001155520341 843810046 /nfs/dbraw/zinc/81/00/46/843810046.db2.gz CKRWPWUFBKFFOJ-RTCCRHLQSA-N -1 0 355.420 -0.635 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cc2n[nH]cc2s1 ZINC001155545862 843810494 /nfs/dbraw/zinc/81/04/94/843810494.db2.gz FLSVUQCGSMJFFY-UHFFFAOYSA-N -1 0 371.360 -0.665 20 0 FBADRM O=C(CCCc1nnn[n-]1)NCCNS(=O)(=O)Cc1ccccc1 ZINC001155584601 843812261 /nfs/dbraw/zinc/81/22/61/843812261.db2.gz CUNAEZCFLPCNDT-UHFFFAOYSA-N -1 0 352.420 -0.242 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cccc3[nH]c(=O)n(C)c32)C(=O)N1S(=O)(=O)[O-] ZINC001155647297 843812823 /nfs/dbraw/zinc/81/28/23/843812823.db2.gz QABALIQSFKUJFT-RCOVLWMOSA-N -1 0 354.344 -0.589 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NCc2nnc3c(=O)[nH]ccn23)c1 ZINC001155700941 843813714 /nfs/dbraw/zinc/81/37/14/843813714.db2.gz WOZCDPLTNKVFMY-RUZDIDTESA-N -1 0 361.383 -0.150 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NCc2nnc3c(=O)[nH]ccn23)c1 ZINC001155700942 843813637 /nfs/dbraw/zinc/81/36/37/843813637.db2.gz WOZCDPLTNKVFMY-VWLOTQADSA-N -1 0 361.383 -0.150 20 0 FBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCC3(COC(=O)N3)CC2)nc1 ZINC001155702762 843813447 /nfs/dbraw/zinc/81/34/47/843813447.db2.gz SAGNHJKFQMYAGX-UHFFFAOYSA-N -1 0 354.388 -0.015 20 0 FBADRM N=C(NC(=O)c1ccc2c(n1)NC(=O)CO2)SCCS(=O)(=O)[O-] ZINC001155734130 843813824 /nfs/dbraw/zinc/81/38/24/843813824.db2.gz GDCQQZNGSBYFNO-UHFFFAOYSA-N -1 0 360.373 -0.302 20 0 FBADRM CS(=O)(=O)C1(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CCOCC1 ZINC001155745536 843814660 /nfs/dbraw/zinc/81/46/60/843814660.db2.gz ARMIBKDITWGRPW-JTQLQIEISA-N -1 0 358.420 -0.190 20 0 FBADRM CS(=O)(=O)C1(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CCOCC1 ZINC001155745537 843814831 /nfs/dbraw/zinc/81/48/31/843814831.db2.gz ARMIBKDITWGRPW-SNVBAGLBSA-N -1 0 358.420 -0.190 20 0 FBADRM O=C(c1ccc(N[C@H]2SC(=O)[N-]C2=O)nc1)N1CCS(=O)(=O)CC1 ZINC001155844799 843815150 /nfs/dbraw/zinc/81/51/50/843815150.db2.gz VLSAHSZKGKTGLI-NSHDSACASA-N -1 0 370.412 -0.327 20 0 FBADRM COc1nc(N[C@@H]2SC(=O)[N-]C2=O)nc(N2CCn3ccnc3C2)n1 ZINC001155844932 843815342 /nfs/dbraw/zinc/81/53/42/843815342.db2.gz WLJRGGVLOSRUTQ-SECBINFHSA-N -1 0 362.375 -0.760 20 0 FBADRM COc1nc(N[C@H]2SC(=O)[N-]C2=O)nc(N2CCn3ccnc3C2)n1 ZINC001155844937 843815175 /nfs/dbraw/zinc/81/51/75/843815175.db2.gz WLJRGGVLOSRUTQ-VIFPVBQESA-N -1 0 362.375 -0.760 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2CCC(O)(COCCO)CC2)cc1=O ZINC001155858499 843815951 /nfs/dbraw/zinc/81/59/51/843815951.db2.gz ZCWNRWPRSZXGRL-UHFFFAOYSA-N -1 0 355.435 -0.263 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cnc3cc(C4CC4)nn3c2)C(=O)N1S(=O)(=O)[O-] ZINC001155863934 843815527 /nfs/dbraw/zinc/81/55/27/843815527.db2.gz NNLSOIHOCHEDRC-MADCSZMMSA-N -1 0 365.371 -0.261 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC001155985529 843816804 /nfs/dbraw/zinc/81/68/04/843816804.db2.gz WEFSIHDREKZCEU-FJPPDTINSA-N -1 0 350.343 -0.757 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001155985530 843816595 /nfs/dbraw/zinc/81/65/95/843816595.db2.gz WEFSIHDREKZCEU-IJRMOIDVSA-N -1 0 350.343 -0.757 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2nnc3cccc(Cl)n32)C(=O)N1S(=O)(=O)[O-] ZINC001156026453 843817472 /nfs/dbraw/zinc/81/74/72/843817472.db2.gz KUHQEMPZMOCFMH-XNCJUZBTSA-N -1 0 359.751 -0.485 20 0 FBADRM CCc1nnc2c(C(=O)N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)cccn12 ZINC001156056662 843817238 /nfs/dbraw/zinc/81/72/38/843817238.db2.gz PEVKSSJACNZXRO-XVKPBYJWSA-N -1 0 353.360 -0.576 20 0 FBADRM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1c(C)[nH]c(=O)[nH]c1=S ZINC001156073583 843817378 /nfs/dbraw/zinc/81/73/78/843817378.db2.gz GNNYEGOMAFQMRJ-HTQZYQBOSA-N -1 0 356.404 -0.035 20 0 FBADRM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1c(C)[nH]c(=O)[nH]c1=S ZINC001156073588 843817981 /nfs/dbraw/zinc/81/79/81/843817981.db2.gz GNNYEGOMAFQMRJ-JGVFFNPUSA-N -1 0 356.404 -0.035 20 0 FBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1c(C)[nH]c(=O)[nH]c1=S ZINC001156073590 843817795 /nfs/dbraw/zinc/81/77/95/843817795.db2.gz GNNYEGOMAFQMRJ-SFYZADRCSA-N -1 0 356.404 -0.035 20 0 FBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1c(C)[nH]c(=O)[nH]c1=S ZINC001156073591 843817851 /nfs/dbraw/zinc/81/78/51/843817851.db2.gz GNNYEGOMAFQMRJ-YUMQZZPRSA-N -1 0 356.404 -0.035 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)NCCc2nc(=O)o[n-]2)CC1 ZINC001156133494 843818553 /nfs/dbraw/zinc/81/85/53/843818553.db2.gz LJAVGGBSGHXGCD-UHFFFAOYSA-N -1 0 355.395 -0.426 20 0 FBADRM O=C(Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)NCCc1nc(=O)o[n-]1 ZINC001156141230 843818935 /nfs/dbraw/zinc/81/89/35/843818935.db2.gz QYBBGKHBGBVBNI-MRVPVSSYSA-N -1 0 372.428 -0.377 20 0 FBADRM O=C(Cc1csc([C@H]2CCS(=O)(=O)C2)n1)NCCc1nc(=O)o[n-]1 ZINC001156141232 843818904 /nfs/dbraw/zinc/81/89/04/843818904.db2.gz QYBBGKHBGBVBNI-QMMMGPOBSA-N -1 0 372.428 -0.377 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cc3n(n2)CC2(CCC2)CO3)C(=O)N1S(=O)(=O)[O-] ZINC001156171891 843819667 /nfs/dbraw/zinc/81/96/67/843819667.db2.gz CQYHAAURRXKNAE-KWQFWETISA-N -1 0 370.387 -0.422 20 0 FBADRM COC(=O)c1cc(S(N)(=O)=O)cnc1NCC[N-]C(=O)C(F)(F)F ZINC001156204681 843819736 /nfs/dbraw/zinc/81/97/36/843819736.db2.gz FVPXBVVGCNOEQY-UHFFFAOYSA-N -1 0 370.309 -0.394 20 0 FBADRM CC(C)c1cnn2cc(C(=O)N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)cnc12 ZINC001156237759 843820365 /nfs/dbraw/zinc/82/03/65/843820365.db2.gz ASFYRVWCDQKERD-KWQFWETISA-N -1 0 367.387 -0.015 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@@H](CO)[C@H]2CO)c1 ZINC001156269096 843821189 /nfs/dbraw/zinc/82/11/89/843821189.db2.gz AAXDJLGZEZSZLY-SMDDNHRTSA-N -1 0 372.443 -0.152 20 0 FBADRM CNc1nc2cc(C(=O)N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)ccc2[nH]1 ZINC001156284227 843820529 /nfs/dbraw/zinc/82/05/29/843820529.db2.gz LRWCOWOUHDFJFO-WKEGUHRASA-N -1 0 353.360 -0.264 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cccn3c2nnc3C2CC2)C(=O)N1S(=O)(=O)[O-] ZINC001156371562 843822225 /nfs/dbraw/zinc/82/22/25/843822225.db2.gz GNFZVUMICLXPMR-XVKPBYJWSA-N -1 0 365.371 -0.261 20 0 FBADRM Cc1cc(CNC(=O)c2c[n-]n3c2nccc3=O)ccc1S(N)(=O)=O ZINC001156431696 843823126 /nfs/dbraw/zinc/82/31/26/843823126.db2.gz BJAYXBXVQYSFMP-UHFFFAOYSA-N -1 0 361.383 -0.092 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccn2ccccc12 ZINC001156465632 843823634 /nfs/dbraw/zinc/82/36/34/843823634.db2.gz FDOCQACWCBLJLR-UHFFFAOYSA-N -1 0 364.343 -0.350 20 0 FBADRM COc1cccc2nc(C(=O)N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)cn21 ZINC001156603930 843824743 /nfs/dbraw/zinc/82/47/43/843824743.db2.gz WDXDQMGTZRVPDI-CPCISQLKSA-N -1 0 354.344 -0.525 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001156614343 843825792 /nfs/dbraw/zinc/82/57/92/843825792.db2.gz DVRNAXTVNPVLRB-JTQLQIEISA-N -1 0 374.444 -0.968 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001156614344 843825639 /nfs/dbraw/zinc/82/56/39/843825639.db2.gz DVRNAXTVNPVLRB-SNVBAGLBSA-N -1 0 374.444 -0.968 20 0 FBADRM COCCO[N-]C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001156640859 843826493 /nfs/dbraw/zinc/82/64/93/843826493.db2.gz HVGAWTVGBHCKRB-LLVKDONJSA-N -1 0 352.796 -0.327 20 0 FBADRM COCCO[N-]C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001156640861 843826982 /nfs/dbraw/zinc/82/69/82/843826982.db2.gz HVGAWTVGBHCKRB-NSHDSACASA-N -1 0 352.796 -0.327 20 0 FBADRM C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)[N-]OCC(C)(C)O ZINC001156708176 843828248 /nfs/dbraw/zinc/82/82/48/843828248.db2.gz PBXGJODFGJDPQA-PSASIEDQSA-N -1 0 352.434 -0.406 20 0 FBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)[N-]OCC(C)(C)O ZINC001156708177 843827817 /nfs/dbraw/zinc/82/78/17/843827817.db2.gz PBXGJODFGJDPQA-SCZZXKLOSA-N -1 0 352.434 -0.406 20 0 FBADRM C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)[N-]OCC(C)(C)O ZINC001156708178 843828092 /nfs/dbraw/zinc/82/80/92/843828092.db2.gz PBXGJODFGJDPQA-WCBMZHEXSA-N -1 0 352.434 -0.406 20 0 FBADRM C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)[N-]OCC(C)(C)O ZINC001156708179 843827782 /nfs/dbraw/zinc/82/77/82/843827782.db2.gz PBXGJODFGJDPQA-WPRPVWTQSA-N -1 0 352.434 -0.406 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cccc3c2OCCCO3)C(=O)N1S(=O)(=O)[O-] ZINC001156717957 843827892 /nfs/dbraw/zinc/82/78/92/843827892.db2.gz QMHRMPYPAOAUTN-KWQFWETISA-N -1 0 356.356 -0.020 20 0 FBADRM COc1ccc2onc(C(=O)N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)c2c1 ZINC001156732170 843828217 /nfs/dbraw/zinc/82/82/17/843828217.db2.gz MXNWZGXQAIOKCN-WKEGUHRASA-N -1 0 355.328 -0.032 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cn2ccnc2s1 ZINC001156804421 843829110 /nfs/dbraw/zinc/82/91/10/843829110.db2.gz ZEIMVFFOSIMGLE-UHFFFAOYSA-N -1 0 371.360 -0.894 20 0 FBADRM CO[C@@]1(C(=O)N(C)CCc2nc([O-])c(C)c(=O)[nH]2)CCS(=O)(=O)C1 ZINC001156867209 843828982 /nfs/dbraw/zinc/82/89/82/843828982.db2.gz RPAAXRNRCXACGR-AWEZNQCLSA-N -1 0 359.404 -0.599 20 0 FBADRM CO[C@]1(C(=O)N(C)CCc2nc([O-])c(C)c(=O)[nH]2)CCS(=O)(=O)C1 ZINC001156867210 843828696 /nfs/dbraw/zinc/82/86/96/843828696.db2.gz RPAAXRNRCXACGR-CQSZACIVSA-N -1 0 359.404 -0.599 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2c[nH]c3c(c2=O)CCCC3)C(=O)N1S(=O)(=O)[O-] ZINC001156900032 843829393 /nfs/dbraw/zinc/82/93/93/843829393.db2.gz HDRDUVCNNLDYPM-CPCISQLKSA-N -1 0 355.372 -0.614 20 0 FBADRM O=C(N[C@@H]1CO[N-]C1=O)c1cnn2c1C(=O)N(Cc1cccs1)CC2 ZINC001157013396 843831051 /nfs/dbraw/zinc/83/10/51/843831051.db2.gz DCMQZVJSGMKCRO-LLVKDONJSA-N -1 0 361.383 -0.240 20 0 FBADRM C[C@H]1[C@H](Nc2nc(Cl)c(F)cc2C(N)=O)C(=O)N1S(=O)(=O)[O-] ZINC001157067427 843833250 /nfs/dbraw/zinc/83/32/50/843833250.db2.gz BVRJGRHLVCRMLO-DZSWIPIPSA-N -1 0 352.731 -0.213 20 0 FBADRM CCOC(=O)c1c[n-]c2nc[nH+]c(N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)c12 ZINC001157067469 843832938 /nfs/dbraw/zinc/83/29/38/843832938.db2.gz CPWUMLPZJWJHPQ-RCOVLWMOSA-N -1 0 369.359 -0.051 20 0 FBADRM COC(=O)c1cc(Cl)nc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001157067535 843833054 /nfs/dbraw/zinc/83/30/54/843833054.db2.gz FLHKJMUCODLUNK-FFWSUHOLSA-N -1 0 350.740 -0.269 20 0 FBADRM COC(=O)c1cc2c([n-]1)nc[nH+]c2N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001157067542 843833291 /nfs/dbraw/zinc/83/32/91/843833291.db2.gz FPBYCYDWTGHPRZ-XNCJUZBTSA-N -1 0 355.332 -0.490 20 0 FBADRM C[C@H]1[C@H](Nc2ccc(CN3CCOCC3)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001157067601 843832832 /nfs/dbraw/zinc/83/28/32/843832832.db2.gz JGOOYHWOLKMQPO-GWCFXTLKSA-N -1 0 356.404 -0.272 20 0 FBADRM C[C@H]1[C@H](Nc2ncc(S(N)(=O)=O)cc2Cl)C(=O)N1S(=O)(=O)[O-] ZINC001157067771 843833241 /nfs/dbraw/zinc/83/32/41/843833241.db2.gz RLKIFHBZILMOIW-FFWSUHOLSA-N -1 0 370.796 -0.804 20 0 FBADRM C[C@H]1[C@H](Nc2cc(Cl)nc(S(C)(=O)=O)n2)C(=O)N1S(=O)(=O)[O-] ZINC001157067795 843833324 /nfs/dbraw/zinc/83/33/24/843833324.db2.gz SRKPTFGPFSRMHH-FFWSUHOLSA-N -1 0 370.796 -0.653 20 0 FBADRM COC(=O)c1ccc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc1C(=O)OC ZINC001157067805 843833549 /nfs/dbraw/zinc/83/35/49/843833549.db2.gz SYOHUZHTJIELDL-RCOVLWMOSA-N -1 0 373.343 -0.531 20 0 FBADRM C[C@H]1[C@H](Nc2ccc(C(=O)N3CCOCC3)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001157067907 843833126 /nfs/dbraw/zinc/83/31/26/843833126.db2.gz YFGOCEARKHBGPS-CABZTGNLSA-N -1 0 370.387 -0.632 20 0 FBADRM COC(=O)c1cnc(Cl)nc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001157067945 843833170 /nfs/dbraw/zinc/83/31/70/843833170.db2.gz ZZSRCUJDFNLFHD-NJGYIYPDSA-N -1 0 350.740 -0.269 20 0 FBADRM CON(C)C(=O)c1cc(C)cnc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001157070238 843833019 /nfs/dbraw/zinc/83/30/19/843833019.db2.gz CXLXIYBRPMFHNE-WPRPVWTQSA-N -1 0 358.376 -0.163 20 0 FBADRM C[C@H]1[C@H](Nc2ccc(CN3C(=O)CCC3=O)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001157070679 843833499 /nfs/dbraw/zinc/83/34/99/843833499.db2.gz KZIZQSMKLVXKSK-SDBXPKJASA-N -1 0 368.371 -0.455 20 0 FBADRM CCNS(=O)(=O)c1cccnc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001157070685 843833147 /nfs/dbraw/zinc/83/31/47/843833147.db2.gz LDGYJCXSYCTGHP-CBAPKCEASA-N -1 0 364.405 -0.806 20 0 FBADRM C[C@H]1[C@H](Nc2c(Cl)nc(Cl)nc2C(N)=O)C(=O)N1S(=O)(=O)[O-] ZINC001157070970 843833065 /nfs/dbraw/zinc/83/30/65/843833065.db2.gz MBRWZVCTFGAHOX-HRFVKAFMSA-N -1 0 370.174 -0.304 20 0 FBADRM COC(=O)c1nc(Cl)cnc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001157071066 843832895 /nfs/dbraw/zinc/83/28/95/843832895.db2.gz NCVPZXNHFCBFPG-NJGYIYPDSA-N -1 0 350.740 -0.269 20 0 FBADRM C[C@H]1[C@H](Nc2nc(Cl)c(F)c3c2C(=O)NC3)C(=O)N1S(=O)(=O)[O-] ZINC001157071406 843833190 /nfs/dbraw/zinc/83/31/90/843833190.db2.gz SNWAFAHZKHHMIA-NOWQDGDBSA-N -1 0 364.742 -0.069 20 0 FBADRM COCCn1ccc2c1ncnc2N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001157071485 843833410 /nfs/dbraw/zinc/83/34/10/843833410.db2.gz UXKUUMICYVGFJQ-WPRPVWTQSA-N -1 0 355.376 -0.108 20 0 FBADRM CCOC(=O)c1cnc(OC)nc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001157071784 843832992 /nfs/dbraw/zinc/83/29/92/843832992.db2.gz WVVNXCYNDOZQHM-XPUUQOCRSA-N -1 0 360.348 -0.524 20 0 FBADRM C[C@H]1[C@H](Nc2ncc3c(n2)N(C)[C@H](C)C(=O)N3)C(=O)N1S(=O)(=O)[O-] ZINC001157071833 843832841 /nfs/dbraw/zinc/83/28/41/843832841.db2.gz YXFKLCYAWJJLBS-BBVRLYRLSA-N -1 0 356.364 -0.933 20 0 FBADRM C[C@H]1[C@H](Nc2ncc3c(n2)N(C)[C@@H](C)C(=O)N3)C(=O)N1S(=O)(=O)[O-] ZINC001157071835 843833488 /nfs/dbraw/zinc/83/34/88/843833488.db2.gz YXFKLCYAWJJLBS-HAFWLYHUSA-N -1 0 356.364 -0.933 20 0 FBADRM C[C@H]1[C@H](Nc2ccc(S(=O)(=O)N(C)C)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001157072238 843833336 /nfs/dbraw/zinc/83/33/36/843833336.db2.gz BDAAIHDMLRTIJV-XVKPBYJWSA-N -1 0 364.405 -0.854 20 0 FBADRM COC(=O)c1nc(Cl)cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001157072443 843833467 /nfs/dbraw/zinc/83/34/67/843833467.db2.gz FWHQMPBVXYQXMT-FFWSUHOLSA-N -1 0 350.740 -0.848 20 0 FBADRM C[C@H]1[C@H](Nc2ccc(C(=O)NC3CCCC3)nn2)C(=O)N1S(=O)(=O)[O-] ZINC001157072521 843833085 /nfs/dbraw/zinc/83/30/85/843833085.db2.gz GPPFBWWWPFVBAH-UFBFGSQYSA-N -1 0 369.403 -0.037 20 0 FBADRM COCCOC(=O)c1ccnc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1 ZINC001157072614 843833000 /nfs/dbraw/zinc/83/30/00/843833000.db2.gz IVGPYBWBXZRPHB-KWQFWETISA-N -1 0 359.360 -0.301 20 0 FBADRM COC(=O)c1cc2cnc(N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)nc2n1C ZINC001157072707 843833477 /nfs/dbraw/zinc/83/34/77/843833477.db2.gz KNIRVFACPDPGJH-RCOVLWMOSA-N -1 0 369.359 -0.431 20 0 FBADRM COC(=O)CSc1cncc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001157072724 843832901 /nfs/dbraw/zinc/83/29/01/843832901.db2.gz LICRLXJMZYFFEW-WKEGUHRASA-N -1 0 362.389 -0.444 20 0 FBADRM C[C@H]1[C@H](Nc2cc(N3CCSCC3)ncn2)C(=O)N1S(=O)(=O)[O-] ZINC001157072799 843833264 /nfs/dbraw/zinc/83/32/64/843833264.db2.gz OXSZKFKQLHUSQB-KWQFWETISA-N -1 0 359.433 -0.156 20 0 FBADRM C[C@H]1[C@H](Nc2nc(Cl)ccc2S(C)(=O)=O)C(=O)N1S(=O)(=O)[O-] ZINC001157072803 843832970 /nfs/dbraw/zinc/83/29/70/843832970.db2.gz PAHYAWKWXGTHLM-XNCJUZBTSA-N -1 0 369.808 -0.048 20 0 FBADRM C[C@H]1[C@H](Nc2nc(Cl)ccc2S(N)(=O)=O)C(=O)N1S(=O)(=O)[O-] ZINC001157073032 843833204 /nfs/dbraw/zinc/83/32/04/843833204.db2.gz RPHJLZXUXKTVEX-FFWSUHOLSA-N -1 0 370.796 -0.804 20 0 FBADRM C[C@H]1[C@H](Nc2ccnc(N3CCN(C)CC3)n2)C(=O)N1S(=O)(=O)[O-] ZINC001157073088 843833447 /nfs/dbraw/zinc/83/34/47/843833447.db2.gz SPUWQVPCZMRVLU-ONGXEEELSA-N -1 0 356.408 -0.958 20 0 FBADRM C[C@H]1[C@H](Nc2nnc(Cl)c3c2N(C)CCO3)C(=O)N1S(=O)(=O)[O-] ZINC001157073107 843833396 /nfs/dbraw/zinc/83/33/96/843833396.db2.gz TWQFCHZBKHCGEI-WDSKDSINSA-N -1 0 363.783 -0.227 20 0 FBADRM CCNC(=O)c1cc(Cl)nc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001157073160 843833028 /nfs/dbraw/zinc/83/30/28/843833028.db2.gz DBJMPSZNTBXEFU-XNCJUZBTSA-N -1 0 363.783 -0.306 20 0 FBADRM C[C@H]1[C@H](Nc2nc(Cl)nc3c2CN(C)CC3)C(=O)N1S(=O)(=O)[O-] ZINC001157073181 843834747 /nfs/dbraw/zinc/83/47/47/843834747.db2.gz DXVRSXQDROGEJC-RCOVLWMOSA-N -1 0 361.811 -0.068 20 0 FBADRM C[C@H]1[C@H](Nc2ccnc(-n3ccccc3=O)n2)C(=O)N1S(=O)(=O)[O-] ZINC001157073236 843834048 /nfs/dbraw/zinc/83/40/48/843834048.db2.gz WQQRREBAYOULRC-KWQFWETISA-N -1 0 351.344 -0.559 20 0 FBADRM COc1ccc2nc(C(=O)N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)cn2c1 ZINC001157090523 843833993 /nfs/dbraw/zinc/83/39/93/843833993.db2.gz UPPHJHGQULOEQD-CPCISQLKSA-N -1 0 354.344 -0.525 20 0 FBADRM COc1ccc2c(C(=O)N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)c[nH]c2n1 ZINC001157098959 843834428 /nfs/dbraw/zinc/83/44/28/843834428.db2.gz COOJNYMMJCMDQN-WKEGUHRASA-N -1 0 354.344 -0.297 20 0 FBADRM CC(=O)[N-]S(=O)(=O)c1ccc(NCCNC(=O)N2CCOCC2)nc1 ZINC001157109907 843834562 /nfs/dbraw/zinc/83/45/62/843834562.db2.gz QYDXNAJXEAEYMH-UHFFFAOYSA-N -1 0 371.419 -0.640 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2nc(Cl)nc3[nH]ccc32)C(=O)N1S(=O)(=O)[O-] ZINC001157126731 843835355 /nfs/dbraw/zinc/83/53/55/843835355.db2.gz VPRVCYVXZWVOCR-NJGYIYPDSA-N -1 0 359.751 -0.305 20 0 FBADRM Cn1nnc([N-]S(=O)(=O)c2cccc(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)c2)n1 ZINC001157163931 843835422 /nfs/dbraw/zinc/83/54/22/843835422.db2.gz PJNVEQLIWGYLBO-GDNZZTSVSA-N -1 0 364.387 -0.158 20 0 FBADRM Cn1nnc([N-]S(=O)(=O)c2cccc(NC(=O)CC3COC3)c2)n1 ZINC001157164200 843835400 /nfs/dbraw/zinc/83/54/00/843835400.db2.gz XISCLPPZZJMRME-UHFFFAOYSA-N -1 0 352.376 -0.014 20 0 FBADRM CC(=O)N(C)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2nnn(C)n2)c1 ZINC001157164213 843835568 /nfs/dbraw/zinc/83/55/68/843835568.db2.gz XYNOYJXPSAGTFZ-UHFFFAOYSA-N -1 0 367.391 -0.572 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@H](CO)c2ncc[nH]2)c1 ZINC001157218117 843836684 /nfs/dbraw/zinc/83/66/84/843836684.db2.gz JKWTUWPONHLNRP-LLVKDONJSA-N -1 0 354.388 -0.171 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H](CO)c2ncc[nH]2)c1 ZINC001157218118 843836434 /nfs/dbraw/zinc/83/64/34/843836434.db2.gz JKWTUWPONHLNRP-NSHDSACASA-N -1 0 354.388 -0.171 20 0 FBADRM COc1ccc2c(C(=O)N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)cnn2c1 ZINC001157231905 843836719 /nfs/dbraw/zinc/83/67/19/843836719.db2.gz HOVGITJRENOVPM-CPCISQLKSA-N -1 0 354.344 -0.525 20 0 FBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCC3(CNC(=O)N3)CC2)nc1 ZINC001157253272 843836259 /nfs/dbraw/zinc/83/62/59/843836259.db2.gz VPFDJGXEYJYFAR-UHFFFAOYSA-N -1 0 353.404 -0.442 20 0 FBADRM COC(=O)[C@@H](Cn1cncn1)NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC001157278165 843837524 /nfs/dbraw/zinc/83/75/24/843837524.db2.gz CRFCNEJOJQOQIL-BDAKNGLRSA-N -1 0 365.312 -0.361 20 0 FBADRM COC(=O)[C@H](Cn1cncn1)NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC001157278166 843837593 /nfs/dbraw/zinc/83/75/93/843837593.db2.gz CRFCNEJOJQOQIL-IUCAKERBSA-N -1 0 365.312 -0.361 20 0 FBADRM O=C([O-])c1nnc(Cl)cc1C(F)(F)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001157284886 843837701 /nfs/dbraw/zinc/83/77/01/843837701.db2.gz XBASHCZJHHUCRY-KXGJBYOTSA-N -1 0 353.709 -0.430 20 0 FBADRM COc1cc(NC(=N)SCCS(=O)(=O)[O-])nc(S(C)(=O)=O)n1 ZINC001157322526 843838610 /nfs/dbraw/zinc/83/86/10/843838610.db2.gz KPRQPUUPEXVJCU-UHFFFAOYSA-N -1 0 370.434 -0.144 20 0 FBADRM CNS(=O)(=O)c1cccnc1NC(=N)SCCS(=O)(=O)[O-] ZINC001157322620 843837994 /nfs/dbraw/zinc/83/79/94/843837994.db2.gz POHHRVHAMPVVPA-UHFFFAOYSA-N -1 0 354.435 -0.043 20 0 FBADRM CNS(=O)(=O)c1ccc(NC(=N)SCCS(=O)(=O)[O-])nc1 ZINC001157326222 843839882 /nfs/dbraw/zinc/83/98/82/843839882.db2.gz LYYULLDZBJCYKU-UHFFFAOYSA-N -1 0 354.435 -0.043 20 0 FBADRM N=C(Nc1cc(N2CCC[C@@H]2C(N)=O)ncn1)SCCS(=O)(=O)[O-] ZINC001157327251 843839351 /nfs/dbraw/zinc/83/93/51/843839351.db2.gz NEIQWDADPBZWEB-MRVPVSSYSA-N -1 0 374.448 -0.102 20 0 FBADRM N=C(Nc1cc(N2CCC[C@H]2C(N)=O)ncn1)SCCS(=O)(=O)[O-] ZINC001157327252 843839282 /nfs/dbraw/zinc/83/92/82/843839282.db2.gz NEIQWDADPBZWEB-QMMMGPOBSA-N -1 0 374.448 -0.102 20 0 FBADRM N=C(Nc1ncc(S(N)(=O)=O)cc1F)SCCS(=O)(=O)[O-] ZINC001157327513 843839226 /nfs/dbraw/zinc/83/92/26/843839226.db2.gz QIQJAYMXWYBOGS-UHFFFAOYSA-N -1 0 358.398 -0.164 20 0 FBADRM CCOC(=O)[C@H]1COCCN1c1ccc(S(=O)(=O)[N-]C(C)=O)cn1 ZINC001157336906 843840018 /nfs/dbraw/zinc/84/00/18/843840018.db2.gz UAUHXOXESVGJAF-GFCCVEGCSA-N -1 0 357.388 -0.325 20 0 FBADRM CCOC(=O)[C@@H]1COCCN1c1ccc(S(=O)(=O)[N-]C(C)=O)cn1 ZINC001157336908 843840091 /nfs/dbraw/zinc/84/00/91/843840091.db2.gz UAUHXOXESVGJAF-LBPRGKRZSA-N -1 0 357.388 -0.325 20 0 FBADRM CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001157351838 843839669 /nfs/dbraw/zinc/83/96/69/843839669.db2.gz CWKLILBRMCOXOG-NSHDSACASA-N -1 0 359.404 -0.388 20 0 FBADRM CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001157423442 843841945 /nfs/dbraw/zinc/84/19/45/843841945.db2.gz JUFRWDFHUROSMO-RKDXNWHRSA-N -1 0 357.367 -0.560 20 0 FBADRM CC(=O)[N-]S(=O)(=O)c1ccc(NC2CC3(C2)CS(=O)(=O)C3)nc1 ZINC001157429017 843842040 /nfs/dbraw/zinc/84/20/40/843842040.db2.gz QKXNYAOUSSLJLY-UHFFFAOYSA-N -1 0 359.429 -0.105 20 0 FBADRM COC(=O)[C@@H](N)CCC(=O)NCCNC(=O)C(F)(F)Br ZINC001157435787 843842219 /nfs/dbraw/zinc/84/22/19/843842219.db2.gz WAGWOLVKOWTRGL-LURJTMIESA-N -1 0 360.155 -0.513 20 0 FBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N[C@@H]2COCCC23OCCO3)nc1 ZINC001157571202 843844987 /nfs/dbraw/zinc/84/49/87/843844987.db2.gz YZKFODMJJJSMFC-GFCCVEGCSA-N -1 0 357.388 -0.150 20 0 FBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N[C@H]2COCCC23OCCO3)nc1 ZINC001157571203 843844839 /nfs/dbraw/zinc/84/48/39/843844839.db2.gz YZKFODMJJJSMFC-LBPRGKRZSA-N -1 0 357.388 -0.150 20 0 FBADRM CNS(=O)(=O)c1cccc2c1CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001157639210 843846376 /nfs/dbraw/zinc/84/63/76/843846376.db2.gz XKVFCXGQQPQBNW-UHFFFAOYSA-N -1 0 367.387 -0.818 20 0 FBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N2Cc3ccnn3CC[C@@H]2CO)nc1 ZINC001157652717 843845792 /nfs/dbraw/zinc/84/57/92/843845792.db2.gz ZFGJALDYOVYLNB-CYBMUJFWSA-N -1 0 365.415 -0.126 20 0 FBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N2Cc3ccnn3CC[C@H]2CO)nc1 ZINC001157652718 843846107 /nfs/dbraw/zinc/84/61/07/843846107.db2.gz ZFGJALDYOVYLNB-ZDUSSCGKSA-N -1 0 365.415 -0.126 20 0 FBADRM COC(=O)[C@H]1CN(C)CCN1c1ccc(S(=O)(=O)[N-]C(C)=O)cn1 ZINC001157771458 843847663 /nfs/dbraw/zinc/84/76/63/843847663.db2.gz BIIZWGVIYDPGIY-GFCCVEGCSA-N -1 0 356.404 -0.800 20 0 FBADRM COC(=O)[C@@H]1CN(C)CCN1c1ccc(S(=O)(=O)[N-]C(C)=O)cn1 ZINC001157771459 843847804 /nfs/dbraw/zinc/84/78/04/843847804.db2.gz BIIZWGVIYDPGIY-LBPRGKRZSA-N -1 0 356.404 -0.800 20 0 FBADRM CS(=O)(=O)c1nc2c(c(NCCOP(=O)([O-])[O-])n1)CC[NH2+]CC2 ZINC001157788277 843847935 /nfs/dbraw/zinc/84/79/35/843847935.db2.gz YERZBMAKDFMQRP-UHFFFAOYSA-N -1 0 366.336 -0.911 20 0 FBADRM CS(=O)(=O)C[C@H](O)CNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC001157829621 843847870 /nfs/dbraw/zinc/84/78/70/843847870.db2.gz UWBWHPQVEZNOJT-SECBINFHSA-N -1 0 350.418 -0.807 20 0 FBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC001157829622 843847586 /nfs/dbraw/zinc/84/75/86/843847586.db2.gz UWBWHPQVEZNOJT-VIFPVBQESA-N -1 0 350.418 -0.807 20 0 FBADRM COC[C@]1(C(=O)NCC(=O)[N-]OC)CN(C(=O)OC(C)(C)C)CCO1 ZINC001157835413 843848511 /nfs/dbraw/zinc/84/85/11/843848511.db2.gz ICFAYVLINJGAEL-HNNXBMFYSA-N -1 0 361.395 -0.567 20 0 FBADRM COC[C@@]1(C(=O)NCC(=O)[N-]OC)CN(C(=O)OC(C)(C)C)CCO1 ZINC001157835415 843848298 /nfs/dbraw/zinc/84/82/98/843848298.db2.gz ICFAYVLINJGAEL-OAHLLOKOSA-N -1 0 361.395 -0.567 20 0 FBADRM CO[N-]C(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001157836465 843848639 /nfs/dbraw/zinc/84/86/39/843848639.db2.gz PHIQEAGGJCBTEW-LBPRGKRZSA-N -1 0 360.411 -0.554 20 0 FBADRM CO[N-]C(=O)CNC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC001157836597 843848646 /nfs/dbraw/zinc/84/86/46/843848646.db2.gz QQGASPCUOMRKBI-UHFFFAOYSA-N -1 0 373.435 -0.779 20 0 FBADRM CO[N-]C(=O)CNC(=O)C1(C2(O)CN(C(=O)OC(C)(C)C)C2)CCC1 ZINC001157837162 843848495 /nfs/dbraw/zinc/84/84/95/843848495.db2.gz VLDGVWWSKUEJCG-UHFFFAOYSA-N -1 0 357.407 -0.068 20 0 FBADRM CS(=O)(=O)C[C@H](O)CNC(=O)c1nc[n-]c(=O)c1Br ZINC001157837314 843848259 /nfs/dbraw/zinc/84/82/59/843848259.db2.gz XYUFKGCRQQMTAI-RXMQYKEDSA-N -1 0 354.182 -0.920 20 0 FBADRM CS(=O)(=O)C[C@@H](O)CNC(=O)c1nc[n-]c(=O)c1Br ZINC001157837317 843848618 /nfs/dbraw/zinc/84/86/18/843848618.db2.gz XYUFKGCRQQMTAI-YFKPBYRVSA-N -1 0 354.182 -0.920 20 0 FBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCN(c3ncncn3)CC2)nc1 ZINC001157857336 843849432 /nfs/dbraw/zinc/84/94/32/843849432.db2.gz NMIUANQZOGZLLS-UHFFFAOYSA-N -1 0 363.403 -0.582 20 0 FBADRM Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)CSc2n[nH]c(=O)[n-]2)cn1 ZINC001157927757 843850508 /nfs/dbraw/zinc/85/05/08/843850508.db2.gz KOYCCTOOYUGVHV-JTQLQIEISA-N -1 0 365.419 -0.243 20 0 FBADRM Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)CSc2n[nH]c(=O)[n-]2)cn1 ZINC001157927758 843850569 /nfs/dbraw/zinc/85/05/69/843850569.db2.gz KOYCCTOOYUGVHV-SNVBAGLBSA-N -1 0 365.419 -0.243 20 0 FBADRM CNC(=O)NC1CCN(c2ccc(S(=O)(=O)[N-]C(C)=O)cn2)CC1 ZINC001157930216 843850895 /nfs/dbraw/zinc/85/08/95/843850895.db2.gz CJHZYKFKIMJHGQ-UHFFFAOYSA-N -1 0 355.420 -0.196 20 0 FBADRM CC(=O)[N-]S(=O)(=O)c1ccc(NCCS(=O)(=O)N(C)C)nc1 ZINC001158029510 839635765 /nfs/dbraw/zinc/63/57/65/839635765.db2.gz RSGYTXKFAJRZNJ-UHFFFAOYSA-N -1 0 350.422 -0.790 20 0 FBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NC[C@H]3CCCS3(=O)=O)cc2=O)n1 ZINC001158097041 843853978 /nfs/dbraw/zinc/85/39/78/843853978.db2.gz HMPNVGCTWIDOEI-LLVKDONJSA-N -1 0 365.415 -0.121 20 0 FBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NC[C@@H]3CCCS3(=O)=O)cc2=O)n1 ZINC001158097042 843853712 /nfs/dbraw/zinc/85/37/12/843853712.db2.gz HMPNVGCTWIDOEI-NSHDSACASA-N -1 0 365.415 -0.121 20 0 FBADRM COCCCn1c(=O)c2ccc(C(=O)NC[C@@H](O)CO)cc2[n-]c1=S ZINC001158188605 843855262 /nfs/dbraw/zinc/85/52/62/843855262.db2.gz BULCWLMDSYPBIW-LLVKDONJSA-N -1 0 367.427 -0.195 20 0 FBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC001158229491 843856421 /nfs/dbraw/zinc/85/64/21/843856421.db2.gz BHNQSFFHRDBTLN-AWEZNQCLSA-N -1 0 358.420 -0.103 20 0 FBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001158229492 843856068 /nfs/dbraw/zinc/85/60/68/843856068.db2.gz BHNQSFFHRDBTLN-CQSZACIVSA-N -1 0 358.420 -0.103 20 0 FBADRM COC(=O)[C@]1(C)COCCN1c1ccc(S(=O)(=O)[N-]C(C)=O)cn1 ZINC001158298863 843857511 /nfs/dbraw/zinc/85/75/11/843857511.db2.gz HRWIXSHTLCINOT-AWEZNQCLSA-N -1 0 357.388 -0.325 20 0 FBADRM COC(=O)[C@@]1(C)COCCN1c1ccc(S(=O)(=O)[N-]C(C)=O)cn1 ZINC001158298868 843857783 /nfs/dbraw/zinc/85/77/83/843857783.db2.gz HRWIXSHTLCINOT-CQSZACIVSA-N -1 0 357.388 -0.325 20 0 FBADRM C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1N)c1nn(C)cc1[O-] ZINC001158307984 843858452 /nfs/dbraw/zinc/85/84/52/843858452.db2.gz UHFGLQUDAOYGMA-SECBINFHSA-N -1 0 353.404 -0.136 20 0 FBADRM C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1N)c1nn(C)cc1[O-] ZINC001158307985 843858486 /nfs/dbraw/zinc/85/84/86/843858486.db2.gz UHFGLQUDAOYGMA-VIFPVBQESA-N -1 0 353.404 -0.136 20 0 FBADRM COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)CSc1n[n-]c(=S)s1 ZINC001158366585 839684851 /nfs/dbraw/zinc/68/48/51/839684851.db2.gz YFKJMPWEWYEUBE-LURJTMIESA-N -1 0 362.458 -0.239 20 0 FBADRM COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)CSc1n[n-]c(=S)s1 ZINC001158366590 839685205 /nfs/dbraw/zinc/68/52/05/839685205.db2.gz YFKJMPWEWYEUBE-ZCFIWIBFSA-N -1 0 362.458 -0.239 20 0 FBADRM CCOC(=O)COCCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001158403278 843861014 /nfs/dbraw/zinc/86/10/14/843861014.db2.gz OKBNRCQMZLCYEQ-UHFFFAOYSA-N -1 0 350.331 -0.424 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CC(=O)N[C@H](C)C2)c1 ZINC001158546645 843865398 /nfs/dbraw/zinc/86/53/98/843865398.db2.gz QGCJEEZQYYLWHZ-SECBINFHSA-N -1 0 368.415 -0.023 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CC(=O)N[C@@H](C)C2)c1 ZINC001158546654 843865142 /nfs/dbraw/zinc/86/51/42/843865142.db2.gz QGCJEEZQYYLWHZ-VIFPVBQESA-N -1 0 368.415 -0.023 20 0 FBADRM COC(=O)C1CC2(C1)C[C@H](NC(=O)c1c[n-]ncc1=O)CCS2(=O)=O ZINC001158670045 843867232 /nfs/dbraw/zinc/86/72/32/843867232.db2.gz NIZSAYSGXNMNJY-KGXJWFGYSA-N -1 0 369.399 -0.189 20 0 FBADRM COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1c[n-]ncc1=O)CCS2(=O)=O ZINC001158670047 843867149 /nfs/dbraw/zinc/86/71/49/843867149.db2.gz NIZSAYSGXNMNJY-VOZQYIJBSA-N -1 0 369.399 -0.189 20 0 FBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N2CC([N@@H+](C)[C@H]3CCOC3)C2)nc1 ZINC001158734344 843867934 /nfs/dbraw/zinc/86/79/34/843867934.db2.gz DSWWJGHHCHASDI-LBPRGKRZSA-N -1 0 354.432 -0.184 20 0 FBADRM CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001159053179 843875921 /nfs/dbraw/zinc/87/59/21/843875921.db2.gz ZQGZUPOZFLQAHY-DEOSSOPVSA-N -1 0 360.440 -0.498 20 0 FBADRM CN(C)[S@](C)(=O)=NCC1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001159053180 843875807 /nfs/dbraw/zinc/87/58/07/843875807.db2.gz ZQGZUPOZFLQAHY-XMMPIXPASA-N -1 0 360.440 -0.498 20 0 FBADRM CC(=O)[N-]S(=O)(=O)c1ccc(Nc2[nH]c(=O)nc3[nH]c(=O)[nH]c32)nc1 ZINC001159195332 843878435 /nfs/dbraw/zinc/87/84/35/843878435.db2.gz NMTMMDAURPYHMI-UHFFFAOYSA-N -1 0 365.331 -0.321 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1c(Cl)cccc1CO ZINC001159216756 843878856 /nfs/dbraw/zinc/87/88/56/843878856.db2.gz MTSFFKDQYZCNIH-UHFFFAOYSA-N -1 0 361.767 -0.157 20 0 FBADRM CS(=O)(=O)CC1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC001159259100 843879462 /nfs/dbraw/zinc/87/94/62/843879462.db2.gz PTBZFAQLWUDQSC-UHFFFAOYSA-N -1 0 353.404 -0.646 20 0 FBADRM COC(=O)C1(C2(O)CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)CCC1 ZINC001159291454 843879754 /nfs/dbraw/zinc/87/97/54/843879754.db2.gz OOHDPYJLTJPFBY-UHFFFAOYSA-N -1 0 354.363 -0.614 20 0 FBADRM COC(=O)c1ncc(=O)[nH]c1Nc1ccc(S(=O)(=O)[N-]C(C)=O)cn1 ZINC001159423505 843882078 /nfs/dbraw/zinc/88/20/78/843882078.db2.gz FVGSQPDWNHGCIJ-UHFFFAOYSA-N -1 0 367.343 -0.480 20 0 FBADRM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CCS(=O)(=O)CCO1 ZINC001159741112 843887386 /nfs/dbraw/zinc/88/73/86/843887386.db2.gz OWFBBAOOGYHLMC-UHFFFAOYSA-N -1 0 354.344 -0.932 20 0 FBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCS(=O)(=O)CCO3)cc2=O)n1 ZINC001159741114 843887694 /nfs/dbraw/zinc/88/76/94/843887694.db2.gz PBPZWMLLVONDDI-UHFFFAOYSA-N -1 0 367.387 -0.625 20 0 FBADRM COC(=O)CNC(=O)CNC(F)(F)c1cc(Cl)nnc1C(=O)[O-] ZINC001159829765 843890073 /nfs/dbraw/zinc/89/00/73/843890073.db2.gz XIMDCUQOCQTVES-UHFFFAOYSA-N -1 0 352.681 -0.244 20 0 FBADRM CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)c1c[n-]ncc1=O ZINC001160111399 843894804 /nfs/dbraw/zinc/89/48/04/843894804.db2.gz POKSIFDSAMUKSC-UHFFFAOYSA-N -1 0 352.372 -0.019 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)NCCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001160392032 843901054 /nfs/dbraw/zinc/90/10/54/843901054.db2.gz AFZFGJGDJWBGGD-FZMZJTMJSA-N -1 0 351.407 -0.047 20 0 FBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NCCS(=O)(=O)N(C)C)cc2=O)n1 ZINC001160398996 843900931 /nfs/dbraw/zinc/90/09/31/843900931.db2.gz XYIDXGXJOKCESS-UHFFFAOYSA-N -1 0 368.419 -0.806 20 0 FBADRM Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cn1 ZINC001160664281 843906774 /nfs/dbraw/zinc/90/67/74/843906774.db2.gz CHHCJMOAHOMERN-GHMZBOCLSA-N -1 0 367.435 -0.384 20 0 FBADRM Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cn1 ZINC001160664283 843906808 /nfs/dbraw/zinc/90/68/08/843906808.db2.gz CHHCJMOAHOMERN-MNOVXSKESA-N -1 0 367.435 -0.384 20 0 FBADRM Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cn1 ZINC001160664285 843906897 /nfs/dbraw/zinc/90/68/97/843906897.db2.gz CHHCJMOAHOMERN-QWRGUYRKSA-N -1 0 367.435 -0.384 20 0 FBADRM Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cn1 ZINC001160664287 843906493 /nfs/dbraw/zinc/90/64/93/843906493.db2.gz CHHCJMOAHOMERN-WDEREUQCSA-N -1 0 367.435 -0.384 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)C2CCC(S(C)(=O)=O)CC2)n[n-]1 ZINC001160664582 843906561 /nfs/dbraw/zinc/90/65/61/843906561.db2.gz IIWFCHHGJZNKRB-UHFFFAOYSA-N -1 0 350.422 -0.250 20 0 FBADRM O=C([O-])CCC(=O)CNc1ncccc1S(=O)(=O)N1CCOCC1 ZINC001160873924 843912012 /nfs/dbraw/zinc/91/20/12/843912012.db2.gz CNVVPSFIAYCQAQ-UHFFFAOYSA-N -1 0 357.388 -0.052 20 0 FBADRM O=C([O-])CCC(=O)CNc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC001160875873 843911836 /nfs/dbraw/zinc/91/18/36/843911836.db2.gz CSEADWVRVIJXBY-UHFFFAOYSA-N -1 0 369.399 -0.202 20 0 FBADRM O=C([O-])CCC(=O)CNc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001160876749 843911666 /nfs/dbraw/zinc/91/16/66/843911666.db2.gz OTMAUHJSHJDGCT-UHFFFAOYSA-N -1 0 357.388 -0.052 20 0 FBADRM O=C(c1nc[n-]c(=O)c1Br)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001160925109 843912553 /nfs/dbraw/zinc/91/25/53/843912553.db2.gz PVTAIZAGISYKAF-RNFRBKRXSA-N -1 0 357.164 -0.326 20 0 FBADRM CNC(=O)CN1CCC(Nc2ccc(S(=O)(=O)[N-]C(C)=O)cn2)CC1 ZINC001161144685 843916424 /nfs/dbraw/zinc/91/64/24/843916424.db2.gz PYXGELKOLLKKHY-UHFFFAOYSA-N -1 0 369.447 -0.471 20 0 FBADRM CCOC(=O)c1n[nH]c(CNC(=O)c2c(Br)nnn2C)n1 ZINC001161163318 843917463 /nfs/dbraw/zinc/91/74/63/843917463.db2.gz CXKAKAKCWRIPBU-UHFFFAOYSA-N -1 0 358.156 -0.198 20 0 FBADRM CCOC(=O)c1n[nH]c(CNC(=O)[C@@H]2C[C@H]3CC[C@@H](C2)S3(=O)=O)n1 ZINC001161164481 843916865 /nfs/dbraw/zinc/91/68/65/843916865.db2.gz TXRMLXDVWJAVFA-OWUUHHOZSA-N -1 0 356.404 -0.047 20 0 FBADRM COC(=O)[C@](C)(CO)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC001161412987 843922609 /nfs/dbraw/zinc/92/26/09/843922609.db2.gz JJFQQFODJFJNRU-HNNXBMFYSA-N -1 0 351.384 -0.124 20 0 FBADRM COC(=O)[C@@](C)(CO)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC001161412989 843922558 /nfs/dbraw/zinc/92/25/58/843922558.db2.gz JJFQQFODJFJNRU-OAHLLOKOSA-N -1 0 351.384 -0.124 20 0 FBADRM COc1cc(C(=O)N[C@H](CO)[C@@H](C)O)cc([N-]S(C)(=O)=O)c1OC ZINC001161454818 843923402 /nfs/dbraw/zinc/92/34/02/843923402.db2.gz HNTIGKCMOXVNRE-LDYMZIIASA-N -1 0 362.404 -0.453 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CC(S(N)(=O)=O)C1 ZINC001161523640 843924630 /nfs/dbraw/zinc/92/46/30/843924630.db2.gz VNJBOVPWBRDELJ-UHFFFAOYSA-N -1 0 351.381 -0.690 20 0 FBADRM NS(=O)(=O)C1CN(C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)C1 ZINC001161529269 836089675 /nfs/dbraw/zinc/08/96/75/836089675.db2.gz UJGBXGMDXGGMNA-UHFFFAOYSA-N -1 0 355.294 -0.429 20 0 FBADRM CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CCc1nnn[n-]1 ZINC001161588691 843925334 /nfs/dbraw/zinc/92/53/34/843925334.db2.gz WZGNXEATLJLSRH-SECBINFHSA-N -1 0 359.408 -0.900 20 0 FBADRM CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1nnn[n-]1 ZINC001161588692 843925582 /nfs/dbraw/zinc/92/55/82/843925582.db2.gz WZGNXEATLJLSRH-VIFPVBQESA-N -1 0 359.408 -0.900 20 0 FBADRM CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)[N-]OCCO)cc1 ZINC001161646169 843926186 /nfs/dbraw/zinc/92/61/86/843926186.db2.gz MDOIYJPUSVAWRJ-UHFFFAOYSA-N -1 0 373.431 -0.513 20 0 FBADRM Nc1ccc(I)c(-c2nn[nH]n2)c1S(N)(=O)=O ZINC001161698536 836262454 /nfs/dbraw/zinc/26/24/54/836262454.db2.gz KXNDLDJTDOPBTE-UHFFFAOYSA-N -1 0 366.144 -0.299 20 0 FBADRM COC(=O)C1(O)CN(C(=O)CCn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC001161747874 843926484 /nfs/dbraw/zinc/92/64/84/843926484.db2.gz NBQMIFXTHQFLDB-UHFFFAOYSA-N -1 0 363.395 -0.178 20 0 FBADRM COC(=O)CC[C@H](Nc1ccc(S(=O)(=O)[N-]C(C)=O)cn1)C(N)=O ZINC001161761808 843927158 /nfs/dbraw/zinc/92/71/58/843927158.db2.gz MJWNMFMQZCZQPR-JTQLQIEISA-N -1 0 358.376 -0.875 20 0 FBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC(S(C)(=O)=O)C3)cc2=O)n1 ZINC001161843077 843928140 /nfs/dbraw/zinc/92/81/40/843928140.db2.gz ABWQKLWZTJWKSY-UHFFFAOYSA-N -1 0 351.388 -0.559 20 0 FBADRM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CC(S(C)(=O)=O)C1 ZINC001161843960 843928056 /nfs/dbraw/zinc/92/80/56/843928056.db2.gz NVGJHYZCFRAOHG-UHFFFAOYSA-N -1 0 363.399 -0.254 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCOC[C@@H]2CC(N)=O)c1 ZINC001162080911 843930356 /nfs/dbraw/zinc/93/03/56/843930356.db2.gz RSTOZFOLQRKADE-JTQLQIEISA-N -1 0 371.415 -0.641 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCOC[C@H]2CC(N)=O)c1 ZINC001162080912 843929960 /nfs/dbraw/zinc/92/99/60/843929960.db2.gz RSTOZFOLQRKADE-SNVBAGLBSA-N -1 0 371.415 -0.641 20 0 FBADRM CC(=O)[N-]S(=O)(=O)c1ccc(NCC(=O)NCC(F)(F)F)nc1 ZINC001162498586 843935767 /nfs/dbraw/zinc/93/57/67/843935767.db2.gz MJQLXBRRLXZPAH-UHFFFAOYSA-N -1 0 354.310 -0.003 20 0 FBADRM CCOC(=O)c1c(C[NH3+])ncn1-c1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001162537600 843935737 /nfs/dbraw/zinc/93/57/37/843935737.db2.gz WDXFXXVQYBWXOY-UHFFFAOYSA-N -1 0 350.356 -0.060 20 0 FBADRM CS(C)(=O)=NC(=O)CNC(=O)c1nc[n-]c(=O)c1Br ZINC001162645834 843935788 /nfs/dbraw/zinc/93/57/88/843935788.db2.gz LYPHDNIGLYANIL-UHFFFAOYSA-N -1 0 351.182 -0.071 20 0 FBADRM CC(=O)[N-]S(=O)(=O)c1ccc(NCCN2CCCS2(=O)=O)nc1 ZINC001162783059 843936927 /nfs/dbraw/zinc/93/69/27/843936927.db2.gz JTIUBDNNNDCKOR-UHFFFAOYSA-N -1 0 362.433 -0.646 20 0 FBADRM CC(=O)[N-]S(=O)(=O)c1ccc(NC[C@H](N)C(=O)OC(C)(C)C)nc1 ZINC001162855896 843938112 /nfs/dbraw/zinc/93/81/12/843938112.db2.gz RLAMHTMAORNVPB-NSHDSACASA-N -1 0 358.420 -0.013 20 0 FBADRM COC1(OC)CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C[C@H]1O ZINC001162905342 843939079 /nfs/dbraw/zinc/93/90/79/843939079.db2.gz SJPDEZMUCHWQQA-LLVKDONJSA-N -1 0 359.404 -0.351 20 0 FBADRM COC1(OC)CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C[C@@H]1O ZINC001162905343 843938890 /nfs/dbraw/zinc/93/88/90/843938890.db2.gz SJPDEZMUCHWQQA-NSHDSACASA-N -1 0 359.404 -0.351 20 0 FBADRM CCN1CCN(CC(=O)N[C@@H](c2nc(=O)o[n-]2)C(C)(C)C)C(=O)C1=O ZINC001162936956 843939039 /nfs/dbraw/zinc/93/90/39/843939039.db2.gz WAKLOPXYGLJLOM-JTQLQIEISA-N -1 0 353.379 -0.743 20 0 FBADRM CCN1CCN(CC(=O)N[C@H](c2nc(=O)o[n-]2)C(C)(C)C)C(=O)C1=O ZINC001162936959 843938753 /nfs/dbraw/zinc/93/87/53/843938753.db2.gz WAKLOPXYGLJLOM-SNVBAGLBSA-N -1 0 353.379 -0.743 20 0 FBADRM Nc1nc(=O)c2sc(=O)[nH]c2n1-c1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001163048576 843940260 /nfs/dbraw/zinc/94/02/60/843940260.db2.gz STHICYMGIUGDPN-UHFFFAOYSA-N -1 0 365.352 -0.195 20 0 FBADRM O=c1cc(CNc2cccc(S(=O)(=O)[O-])n2)nc2n1CCCNC2 ZINC001163111594 843941252 /nfs/dbraw/zinc/94/12/52/843941252.db2.gz GKKXNVVMNUTCBW-UHFFFAOYSA-N -1 0 351.388 -0.010 20 0 FBADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001163170513 843941965 /nfs/dbraw/zinc/94/19/65/843941965.db2.gz VUIABIYVGHZFGP-AWEZNQCLSA-N -1 0 353.356 -0.042 20 0 FBADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001163170514 843941957 /nfs/dbraw/zinc/94/19/57/843941957.db2.gz VUIABIYVGHZFGP-CQSZACIVSA-N -1 0 353.356 -0.042 20 0 FBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC001163338967 843943110 /nfs/dbraw/zinc/94/31/10/843943110.db2.gz BCDRMGIQQZRSMP-JTQLQIEISA-N -1 0 355.395 -0.128 20 0 FBADRM CN(Cc1nc(=O)o[n-]1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC001163338968 843943064 /nfs/dbraw/zinc/94/30/64/843943064.db2.gz BCDRMGIQQZRSMP-SNVBAGLBSA-N -1 0 355.395 -0.128 20 0 FBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC001163339735 843942794 /nfs/dbraw/zinc/94/27/94/843942794.db2.gz MJNKUCKBLRXMHG-UHFFFAOYSA-N -1 0 360.779 -0.047 20 0 FBADRM CN(Cc1nc(=O)o[n-]1)C(=O)CCNS(=O)(=O)c1ccccc1F ZINC001163339864 843942741 /nfs/dbraw/zinc/94/27/41/843942741.db2.gz NTNGWRHOJUXHEI-UHFFFAOYSA-N -1 0 358.351 -0.171 20 0 FBADRM COc1ccc(C(=O)NCC(=O)N(C)Cc2nc(=O)o[n-]2)cc1OC ZINC001163339902 843943069 /nfs/dbraw/zinc/94/30/69/843943069.db2.gz OZMKZGNCFAMXCN-UHFFFAOYSA-N -1 0 350.331 -0.232 20 0 FBADRM Cc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2nc(=O)o[n-]2)cc1 ZINC001163340265 843942809 /nfs/dbraw/zinc/94/28/09/843942809.db2.gz VQLVRVGJAPGJEG-UHFFFAOYSA-N -1 0 354.388 -0.002 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1(CS(C)(=O)=O)COC1 ZINC001163658093 843944487 /nfs/dbraw/zinc/94/44/87/843944487.db2.gz FFFWNALEMVNXCG-QMMMGPOBSA-N -1 0 360.354 -0.381 20 0 FBADRM O=C1[N-]C(=O)[C@@H](Nc2ccc(CN3CCNC3=N[N+](=O)[O-])cn2)S1 ZINC001163659454 843944617 /nfs/dbraw/zinc/94/46/17/843944617.db2.gz IDDPHLFGPMSAQJ-JTQLQIEISA-N -1 0 351.348 -0.245 20 0 FBADRM O=C1[N-]C(=O)[C@H](Nc2ccc(CN3CCNC3=N[N+](=O)[O-])cn2)S1 ZINC001163659458 843944397 /nfs/dbraw/zinc/94/43/97/843944397.db2.gz IDDPHLFGPMSAQJ-SNVBAGLBSA-N -1 0 351.348 -0.245 20 0 FBADRM CN1CCN(S(=O)(=O)c2cccnc2N[C@@H]2SC(=O)[N-]C2=O)CC1 ZINC001163664622 843944604 /nfs/dbraw/zinc/94/46/04/843944604.db2.gz HYMGXVZQLSKEDM-GFCCVEGCSA-N -1 0 371.444 -0.261 20 0 FBADRM CN1CCN(S(=O)(=O)c2cccnc2N[C@H]2SC(=O)[N-]C2=O)CC1 ZINC001163664623 843944155 /nfs/dbraw/zinc/94/41/55/843944155.db2.gz HYMGXVZQLSKEDM-LBPRGKRZSA-N -1 0 371.444 -0.261 20 0 FBADRM CN1CCN(S(=O)(=O)c2ccc(N[C@@H]3SC(=O)[N-]C3=O)nc2)CC1 ZINC001163666748 843944321 /nfs/dbraw/zinc/94/43/21/843944321.db2.gz VXTUIZBAWSMILT-GFCCVEGCSA-N -1 0 371.444 -0.261 20 0 FBADRM CN1CCN(S(=O)(=O)c2ccc(N[C@H]3SC(=O)[N-]C3=O)nc2)CC1 ZINC001163666749 843944600 /nfs/dbraw/zinc/94/46/00/843944600.db2.gz VXTUIZBAWSMILT-LBPRGKRZSA-N -1 0 371.444 -0.261 20 0 FBADRM CS(=O)(=O)N1CCN(c2cccc(N[C@@H]3SC(=O)[N-]C3=O)n2)CC1 ZINC001163667188 843944460 /nfs/dbraw/zinc/94/44/60/843944460.db2.gz YZGRRNVXVSSHRN-GFCCVEGCSA-N -1 0 371.444 -0.116 20 0 FBADRM CS(=O)(=O)N1CCN(c2cccc(N[C@H]3SC(=O)[N-]C3=O)n2)CC1 ZINC001163667190 843944690 /nfs/dbraw/zinc/94/46/90/843944690.db2.gz YZGRRNVXVSSHRN-LBPRGKRZSA-N -1 0 371.444 -0.116 20 0 FBADRM COC(=O)Cc1cc(N[C@@H]2SC(=O)[N-]C2=O)ccc1S(N)(=O)=O ZINC001163673597 843944550 /nfs/dbraw/zinc/94/45/50/843944550.db2.gz BHYZKPUNYZEMOI-LLVKDONJSA-N -1 0 359.385 -0.230 20 0 FBADRM COC(=O)Cc1cc(N[C@H]2SC(=O)[N-]C2=O)ccc1S(N)(=O)=O ZINC001163673598 843944215 /nfs/dbraw/zinc/94/42/15/843944215.db2.gz BHYZKPUNYZEMOI-NSHDSACASA-N -1 0 359.385 -0.230 20 0 FBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N2CC(=O)N(C3CC3)C(=O)C2)nc1 ZINC001164186922 843946927 /nfs/dbraw/zinc/94/69/27/843946927.db2.gz JWGTUWTZJORCGH-UHFFFAOYSA-N -1 0 352.372 -0.756 20 0 FBADRM COC(=O)c1cc(NCC[N-]C(=O)C(F)(F)F)nc(S(C)(=O)=O)n1 ZINC001164238335 843946933 /nfs/dbraw/zinc/94/69/33/843946933.db2.gz UCBUPHVKUVSXFY-UHFFFAOYSA-N -1 0 370.309 -0.243 20 0 FBADRM COC(=O)c1cnc(NCC[N-]C(=O)C(F)(F)F)c(S(N)(=O)=O)c1 ZINC001164244103 843946633 /nfs/dbraw/zinc/94/66/33/843946633.db2.gz UNWDRRUHHFIIFR-UHFFFAOYSA-N -1 0 370.309 -0.394 20 0 FBADRM O=C([N-]CCNc1ccc(C(=O)N2CCNC(=O)C2)cn1)C(F)(F)F ZINC001164244459 843946438 /nfs/dbraw/zinc/94/64/38/843946438.db2.gz JMRILSAHCIGIBB-UHFFFAOYSA-N -1 0 359.308 -0.256 20 0 FBADRM COC(=O)C(C(=O)OC)c1cncc(NCC[N-]C(=O)C(F)(F)F)n1 ZINC001164244700 843946550 /nfs/dbraw/zinc/94/65/50/843946550.db2.gz KZMVMOUVTMMGBS-UHFFFAOYSA-N -1 0 364.280 -0.003 20 0 FBADRM CN(C)C(=O)c1nc(CNc2ccc3c(c2)S(=O)(=O)[N-]C3=O)no1 ZINC001164258995 843946606 /nfs/dbraw/zinc/94/66/06/843946606.db2.gz FFJSYRPWVYZFML-UHFFFAOYSA-N -1 0 351.344 -0.184 20 0 FBADRM O=C([O-])Cc1nccnc1N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001164679704 719584779 /nfs/dbraw/zinc/58/47/79/719584779.db2.gz DXBXXNAHCMCQMZ-UHFFFAOYSA-N -1 0 359.390 -0.452 20 0 FBADRM O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CC(N2CCNC(=O)C2)C1 ZINC001165115795 843950013 /nfs/dbraw/zinc/95/00/13/843950013.db2.gz JSAOBHVROVADQA-UHFFFAOYSA-N -1 0 361.736 -0.007 20 0 FBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCC3(CC2)COCC(=O)N3)nc1 ZINC001165348443 843951666 /nfs/dbraw/zinc/95/16/66/843951666.db2.gz YNJWAWGYGLRNAR-UHFFFAOYSA-N -1 0 368.415 -0.608 20 0 FBADRM COC(=O)C1(N)CCN(c2ccc(S(=O)(=O)[N-]C(C)=O)cn2)CC1 ZINC001166800851 843962788 /nfs/dbraw/zinc/96/27/88/843962788.db2.gz MTCOEKCUQRZCQA-UHFFFAOYSA-N -1 0 356.404 -0.623 20 0 FBADRM CCOC(=O)[C@H]1CN(c2ccc(S(=O)(=O)[N-]C(C)=O)cn2)CCO1 ZINC001166828101 843962890 /nfs/dbraw/zinc/96/28/90/843962890.db2.gz OTFQTIOFVLLYES-GFCCVEGCSA-N -1 0 357.388 -0.325 20 0 FBADRM CCOC(=O)[C@@H]1CN(c2ccc(S(=O)(=O)[N-]C(C)=O)cn2)CCO1 ZINC001166828103 843962853 /nfs/dbraw/zinc/96/28/53/843962853.db2.gz OTFQTIOFVLLYES-LBPRGKRZSA-N -1 0 357.388 -0.325 20 0 FBADRM COC(=O)C[C@@H]1CN(c2ccc(S(=O)(=O)[N-]C(C)=O)cn2)CCO1 ZINC001166834842 843962863 /nfs/dbraw/zinc/96/28/63/843962863.db2.gz KPKXLTFNAHRKEJ-LLVKDONJSA-N -1 0 357.388 -0.325 20 0 FBADRM COC(=O)C[C@H]1CN(c2ccc(S(=O)(=O)[N-]C(C)=O)cn2)CCO1 ZINC001166834843 843963113 /nfs/dbraw/zinc/96/31/13/843963113.db2.gz KPKXLTFNAHRKEJ-NSHDSACASA-N -1 0 357.388 -0.325 20 0 FBADRM COC(=O)CN(CC(=O)OC)c1ccc(S(=O)(=O)[N-]C(C)=O)cn1 ZINC001166847775 843963521 /nfs/dbraw/zinc/96/35/21/843963521.db2.gz WSQKKWAKLPZSDV-UHFFFAOYSA-N -1 0 359.360 -0.941 20 0 FBADRM NS(=O)(=O)c1ccc(N2CCC([N-]C(=O)C(F)(F)F)CC2)nn1 ZINC001166895182 843963394 /nfs/dbraw/zinc/96/33/94/843963394.db2.gz MMQVHNCJKYSTMX-UHFFFAOYSA-N -1 0 353.326 -0.229 20 0 FBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCc3[nH]c(=O)[nH]c(=O)c3C2)nc1 ZINC001166925961 843963915 /nfs/dbraw/zinc/96/39/15/843963915.db2.gz KDNYFYARMKUQKV-UHFFFAOYSA-N -1 0 365.371 -0.330 20 0 FBADRM CC(=O)[N-]S(=O)(=O)c1ccc(N(C)C2CCS(=O)(=O)CC2)nc1 ZINC001167104438 835984016 /nfs/dbraw/zinc/98/40/16/835984016.db2.gz YVTHBGHDYBKSGP-UHFFFAOYSA-N -1 0 361.445 -0.080 20 0 FBADRM COC(=O)[C@H]1CCS(=O)(=O)C12CN(c1nccnc1CC(=O)[O-])C2 ZINC001167197481 835986535 /nfs/dbraw/zinc/98/65/35/835986535.db2.gz HYQJYGOBUFPGEP-SECBINFHSA-N -1 0 355.372 -0.730 20 0 FBADRM COC(=O)[C@@H]1CCS(=O)(=O)C12CN(c1nccnc1CC(=O)[O-])C2 ZINC001167197482 835986905 /nfs/dbraw/zinc/98/69/05/835986905.db2.gz HYQJYGOBUFPGEP-VIFPVBQESA-N -1 0 355.372 -0.730 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(OCCO)CCC(F)(F)CC1 ZINC001167269261 835992578 /nfs/dbraw/zinc/99/25/78/835992578.db2.gz RQJODIHUKZLCKP-UHFFFAOYSA-N -1 0 350.322 -0.238 20 0 FBADRM CSCC[C@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1nnn[n-]1 ZINC001167445154 836007066 /nfs/dbraw/zinc/00/70/66/836007066.db2.gz SPAGPMQJFOBSJL-LKFCYVNXSA-N -1 0 367.435 -0.169 20 0 FBADRM CSCC[C@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1nnn[n-]1 ZINC001167445155 836006644 /nfs/dbraw/zinc/00/66/44/836006644.db2.gz SPAGPMQJFOBSJL-XPTSAGLGSA-N -1 0 367.435 -0.169 20 0 FBADRM NS(=O)(=O)c1ccc(Oc2cc(N[C@@H]3CO[N-]C3=O)ncn2)cc1 ZINC001167510990 836022442 /nfs/dbraw/zinc/02/24/42/836022442.db2.gz LQGWDTSHZZGPOM-SNVBAGLBSA-N -1 0 351.344 -0.242 20 0 FBADRM NC(=O)[C@H]1CCCN1C(=O)c1cnc(N[C@@H]2CO[N-]C2=O)c(Cl)c1 ZINC001167513769 836023138 /nfs/dbraw/zinc/02/31/38/836023138.db2.gz QAUFKODTODHOBZ-NXEZZACHSA-N -1 0 353.766 -0.333 20 0 FBADRM NC(=O)[C@@H]1CCCN1C(=O)c1cnc(N[C@@H]2CO[N-]C2=O)c(Cl)c1 ZINC001167513774 836023489 /nfs/dbraw/zinc/02/34/89/836023489.db2.gz QAUFKODTODHOBZ-ZJUUUORDSA-N -1 0 353.766 -0.333 20 0 FBADRM O=C1[N-]OC[C@H]1Nc1ccc(F)c(S(=O)(=O)NCc2cn[nH]n2)c1 ZINC001167522998 836023362 /nfs/dbraw/zinc/02/33/62/836023362.db2.gz UVPMAZLPWOEYPI-SNVBAGLBSA-N -1 0 356.339 -0.736 20 0 FBADRM COC(=O)c1c(Cl)ncnc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167855325 836093301 /nfs/dbraw/zinc/09/33/01/836093301.db2.gz HEYXJZPOYAYGBX-NJGYIYPDSA-N -1 0 350.740 -0.269 20 0 FBADRM C[C@H]1[C@H](Nc2nccnc2N2CCN(C)CC2)C(=O)N1S(=O)(=O)[O-] ZINC001167857335 836093967 /nfs/dbraw/zinc/09/39/67/836093967.db2.gz AKLQDLBWVYKASC-UWVGGRQHSA-N -1 0 356.408 -0.958 20 0 FBADRM COc1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc([S@](C)=O)n1 ZINC001167857383 836093495 /nfs/dbraw/zinc/09/34/95/836093495.db2.gz ARJMLOOOWIKVIQ-BKOYRFRTSA-N -1 0 350.378 -0.963 20 0 FBADRM COc1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc([S@@](C)=O)n1 ZINC001167857387 836093583 /nfs/dbraw/zinc/09/35/83/836093583.db2.gz ARJMLOOOWIKVIQ-LFTBJPQHSA-N -1 0 350.378 -0.963 20 0 FBADRM CCOC(=O)c1cc2c([n-]1)nc[nH+]c2N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167857393 836093548 /nfs/dbraw/zinc/09/35/48/836093548.db2.gz ASFBEMSCEPPJLV-RCOVLWMOSA-N -1 0 369.359 -0.100 20 0 FBADRM Cc1cnc(S(C)(=O)=O)nc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167857400 836093637 /nfs/dbraw/zinc/09/36/37/836093637.db2.gz CFPHXRDFSCTIKD-BQBZGAKWSA-N -1 0 350.378 -0.997 20 0 FBADRM COC(=O)c1ncc(Cl)nc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167857811 836093510 /nfs/dbraw/zinc/09/35/10/836093510.db2.gz ILQVKNYALPJSSK-NJGYIYPDSA-N -1 0 350.740 -0.269 20 0 FBADRM Cc1cc(-c2nccn2C)c(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nn1 ZINC001167857812 836093448 /nfs/dbraw/zinc/09/34/48/836093448.db2.gz HRNSPOUAQHYARU-WPRPVWTQSA-N -1 0 352.376 0.000 20 0 FBADRM C[C@H]1[C@H](Nc2nc(Cl)nc(C(N)=O)c2F)C(=O)N1S(=O)(=O)[O-] ZINC001167857955 836093646 /nfs/dbraw/zinc/09/36/46/836093646.db2.gz KNSWOBONPGKSIW-OKKQSCSOSA-N -1 0 353.719 -0.818 20 0 FBADRM COC(=O)[C@@H](N)Cc1ccc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1 ZINC001167857970 836093909 /nfs/dbraw/zinc/09/39/09/836093909.db2.gz CMPPVCAJEYUJBC-UWJYBYFXSA-N -1 0 357.388 -0.457 20 0 FBADRM COC(=O)c1cn2c(cccc2N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001167858037 836093928 /nfs/dbraw/zinc/09/39/28/836093928.db2.gz DODSMHHGUVQTRR-CPCISQLKSA-N -1 0 354.344 -0.065 20 0 FBADRM COC(=O)c1nc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc(C2CC2)n1 ZINC001167858052 836093790 /nfs/dbraw/zinc/09/37/90/836093790.db2.gz FCQZWRJEASMALR-WKEGUHRASA-N -1 0 356.360 -0.624 20 0 FBADRM C[C@H]1[C@H](Nc2nc3nc[nH]c3c(N3CCCC3)n2)C(=O)N1S(=O)(=O)[O-] ZINC001167858053 836093630 /nfs/dbraw/zinc/09/36/30/836093630.db2.gz FDAHDOHXFQOZFU-YUMQZZPRSA-N -1 0 367.391 -0.233 20 0 FBADRM C[C@H]1[C@H](Nc2ncccc2N2C(=O)C=CC2=O)C(=O)N1S(=O)(=O)[O-] ZINC001167858138 836093884 /nfs/dbraw/zinc/09/38/84/836093884.db2.gz LZSZCSPXJICJSU-CPCISQLKSA-N -1 0 352.328 -0.675 20 0 FBADRM COC(=O)c1noc2ncc(N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)nc21 ZINC001167858147 836093519 /nfs/dbraw/zinc/09/35/19/836093519.db2.gz LBJJZSBIOLRRJQ-NJGYIYPDSA-N -1 0 357.304 -0.782 20 0 FBADRM CCOC(=O)c1c[nH]c2c1ncnc2N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167858155 836093622 /nfs/dbraw/zinc/09/36/22/836093622.db2.gz MNBSBLXTDBFZKX-XPUUQOCRSA-N -1 0 369.359 -0.051 20 0 FBADRM Cc1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc(-c2ncccn2)n1 ZINC001167858165 836093561 /nfs/dbraw/zinc/09/35/61/836093561.db2.gz LPGAGHKCAUFXOK-WPRPVWTQSA-N -1 0 350.360 -0.522 20 0 FBADRM C[C@H]1[C@H](Nc2cnc(N3CCN(C)CC3)nc2)C(=O)N1S(=O)(=O)[O-] ZINC001167858196 836093420 /nfs/dbraw/zinc/09/34/20/836093420.db2.gz FUUYSQVDFKVWSG-ONGXEEELSA-N -1 0 356.408 -0.958 20 0 FBADRM COCCNC(=O)c1ccc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc1 ZINC001167858241 836093802 /nfs/dbraw/zinc/09/38/02/836093802.db2.gz MFFLOSIEIZALAN-KWQFWETISA-N -1 0 358.376 -0.728 20 0 FBADRM C[C@H]1[C@H](Nc2nc(Br)cn(C)c2=O)C(=O)N1S(=O)(=O)[O-] ZINC001167858252 836093852 /nfs/dbraw/zinc/09/38/52/836093852.db2.gz GJYZIQWDZDMQGM-NJGYIYPDSA-N -1 0 367.181 -0.643 20 0 FBADRM C[C@H]1[C@H](Nc2nc(Cl)cc(C(=O)N(C)C)n2)C(=O)N1S(=O)(=O)[O-] ZINC001167858268 836093737 /nfs/dbraw/zinc/09/37/37/836093737.db2.gz GSAMEXXICLGQAD-XNCJUZBTSA-N -1 0 363.783 -0.354 20 0 FBADRM COC(=O)N1CCc2nnc(N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)cc2C1 ZINC001167858419 836093700 /nfs/dbraw/zinc/09/37/00/836093700.db2.gz IJFCSJARJXVNQJ-CPCISQLKSA-N -1 0 371.375 -0.585 20 0 FBADRM CSc1ncc2ncnc(N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)c2n1 ZINC001167858460 836093326 /nfs/dbraw/zinc/09/33/26/836093326.db2.gz PJGFIWBTISLSFX-FSPLSTOPSA-N -1 0 356.389 -0.044 20 0 FBADRM COC(=O)c1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c2nccn2c1 ZINC001167858473 836093481 /nfs/dbraw/zinc/09/34/81/836093481.db2.gz JODPSBDRVWVPNG-XVKPBYJWSA-N -1 0 354.344 -0.065 20 0 FBADRM CCOC(=O)c1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nnc1OCC ZINC001167858484 836093831 /nfs/dbraw/zinc/09/38/31/836093831.db2.gz JTJHOJBNVWSJFJ-XVKPBYJWSA-N -1 0 374.375 -0.134 20 0 FBADRM COC(=O)CSc1ccc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nn1 ZINC001167858612 836093985 /nfs/dbraw/zinc/09/39/85/836093985.db2.gz PBZMOFNDZXZYDP-WKEGUHRASA-N -1 0 362.389 -0.444 20 0 FBADRM C[C@H]1[C@H](Nc2cnc(C(=O)OCC3CC3)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001167858646 836094290 /nfs/dbraw/zinc/09/42/90/836094290.db2.gz KRCPXJLLMJEAKX-CPCISQLKSA-N -1 0 356.360 -0.143 20 0 FBADRM C[C@H]1[C@H](Nc2cc(N3CCN(C)CC3)ncn2)C(=O)N1S(=O)(=O)[O-] ZINC001167858878 836094341 /nfs/dbraw/zinc/09/43/41/836094341.db2.gz UEXKKMJUTRZFCG-CABZTGNLSA-N -1 0 356.408 -0.958 20 0 FBADRM C[C@H]1[C@H](Nc2ccc(N3C(=O)C=CC3=O)cc2)C(=O)N1S(=O)(=O)[O-] ZINC001167858912 836094662 /nfs/dbraw/zinc/09/46/62/836094662.db2.gz MZASHKQPAWYNMH-SDBXPKJASA-N -1 0 351.340 -0.070 20 0 FBADRM C[C@H]1[C@H](Nc2cccc(=NN3C(=O)CCC3=O)[nH]2)C(=O)N1S(=O)(=O)[O-] ZINC001167858950 836094252 /nfs/dbraw/zinc/09/42/52/836094252.db2.gz NDLYRUJDZRGNSO-MADCSZMMSA-N -1 0 369.359 -0.629 20 0 FBADRM CCc1nc(C(N)=O)c(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc1Cl ZINC001167858978 836094672 /nfs/dbraw/zinc/09/46/72/836094672.db2.gz SYXGCOQBTJLDLF-NJGYIYPDSA-N -1 0 363.783 -0.395 20 0 FBADRM C[C@H]1[C@H](Nc2cc(C(N)=S)nc(C3CC3)n2)C(=O)N1S(=O)(=O)[O-] ZINC001167858985 836094282 /nfs/dbraw/zinc/09/42/82/836094282.db2.gz NLDBYLARGNBKAH-CDUCUWFYSA-N -1 0 357.417 -0.198 20 0 FBADRM COC(=O)c1nnc(Cl)cc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167859059 836094495 /nfs/dbraw/zinc/09/44/95/836094495.db2.gz UMJDBHGHXICAFP-FFWSUHOLSA-N -1 0 350.740 -0.269 20 0 FBADRM C[C@H]1[C@H](Nc2ncnc3[nH]cc([S@](C)=O)c32)C(=O)N1S(=O)(=O)[O-] ZINC001167859087 836094631 /nfs/dbraw/zinc/09/46/31/836094631.db2.gz VEMLPLOHJFORLX-LDEPSFGBSA-N -1 0 359.389 -0.491 20 0 FBADRM C[C@H]1[C@H](Nc2ncnc3[nH]cc([S@@](C)=O)c32)C(=O)N1S(=O)(=O)[O-] ZINC001167859088 836094606 /nfs/dbraw/zinc/09/46/06/836094606.db2.gz VEMLPLOHJFORLX-UZFJRFSFSA-N -1 0 359.389 -0.491 20 0 FBADRM CSc1ncc2ccc(N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)nc2n1 ZINC001167859158 836094761 /nfs/dbraw/zinc/09/47/61/836094761.db2.gz VGARMCLJAOPBNU-RCOVLWMOSA-N -1 0 355.401 -0.066 20 0 FBADRM CC(=O)Nc1nc2nc[nH]c2c(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001167859193 836094453 /nfs/dbraw/zinc/09/44/53/836094453.db2.gz VSTSFSRJINIVPR-NJGYIYPDSA-N -1 0 355.336 -0.875 20 0 FBADRM CCOC(=O)c1ncn2cc(N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)cnc12 ZINC001167859427 836094836 /nfs/dbraw/zinc/09/48/36/836094836.db2.gz REGFWNHIXHKQDT-CBAPKCEASA-N -1 0 369.359 -0.280 20 0 FBADRM COC(=O)c1cc(Cl)nnc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167859479 836094483 /nfs/dbraw/zinc/09/44/83/836094483.db2.gz YXRNFQMRDWGEAC-FFWSUHOLSA-N -1 0 350.740 -0.269 20 0 FBADRM C[C@H]1[C@H](Nc2ccccc2N(C)S(C)(=O)=O)C(=O)N1S(=O)(=O)[O-] ZINC001167860609 836094504 /nfs/dbraw/zinc/09/45/04/836094504.db2.gz BGWCTAAKELBJNG-KWQFWETISA-N -1 0 363.417 -0.104 20 0 FBADRM CCOC(=O)c1cc2c(N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)cc[nH]c-2n1 ZINC001167860682 836094799 /nfs/dbraw/zinc/09/47/99/836094799.db2.gz CWAYTMVICQXMOV-CPCISQLKSA-N -1 0 368.371 -0.025 20 0 FBADRM C[C@H]1[C@H](Nc2c(Br)cnn(C)c2=O)C(=O)N1S(=O)(=O)[O-] ZINC001167860975 836094304 /nfs/dbraw/zinc/09/43/04/836094304.db2.gz GSGHUPVGZRVPHP-NJGYIYPDSA-N -1 0 367.181 -0.643 20 0 FBADRM C[C@H]1[C@H](Nc2ccc3c(c2)-n2c(noc2=O)CO3)C(=O)N1S(=O)(=O)[O-] ZINC001167860995 836094779 /nfs/dbraw/zinc/09/47/79/836094779.db2.gz HXSNUZGIRXIOJB-KGFZYKRKSA-N -1 0 368.327 -0.468 20 0 FBADRM COc1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c2c(c1OC)C(=O)NC2 ZINC001167861100 836094816 /nfs/dbraw/zinc/09/48/16/836094816.db2.gz CNODACKXSXZFBK-KGFZYKRKSA-N -1 0 371.371 -0.239 20 0 FBADRM C[C@H]1[C@H](Nc2cn(CC(F)(F)F)c(=O)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001167861127 836094708 /nfs/dbraw/zinc/09/47/08/836094708.db2.gz FGNMJCDJMTYNKT-XNCJUZBTSA-N -1 0 356.282 -0.380 20 0 FBADRM COC(=O)c1c[nH]c2ncc(N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)nc12 ZINC001167861132 836094737 /nfs/dbraw/zinc/09/47/37/836094737.db2.gz FHHJRYRPJKBMRE-XNCJUZBTSA-N -1 0 355.332 -0.442 20 0 FBADRM C[C@H]1[C@H](Nc2cn(C)c(=O)cc2Br)C(=O)N1S(=O)(=O)[O-] ZINC001167861134 836094520 /nfs/dbraw/zinc/09/45/20/836094520.db2.gz FHWWPHVWYFKXHK-CDUCUWFYSA-N -1 0 366.193 -0.038 20 0 FBADRM C[C@H]1[C@H](Nc2ccc(=O)n(C3CCOCC3)n2)C(=O)N1S(=O)(=O)[O-] ZINC001167861246 836094468 /nfs/dbraw/zinc/09/44/68/836094468.db2.gz ICSJVXVTGKVRHU-UFBFGSQYSA-N -1 0 358.376 -0.591 20 0 FBADRM C[C@H]1[C@H](Nc2ccc(Br)c[n+]2[O-])C(=O)N1S(=O)(=O)[O-] ZINC001167861346 836094788 /nfs/dbraw/zinc/09/47/88/836094788.db2.gz PMRRGSPHKDZFNW-XNCJUZBTSA-N -1 0 352.166 -0.104 20 0 FBADRM COC(=O)c1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cnc1N(C)C ZINC001167861485 836094259 /nfs/dbraw/zinc/09/42/59/836094259.db2.gz RSUOGZBMYYTUKJ-XVKPBYJWSA-N -1 0 358.376 -0.252 20 0 FBADRM CON(C)C(=O)c1ncc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1C ZINC001167861515 836094653 /nfs/dbraw/zinc/09/46/53/836094653.db2.gz KNWZHLWDJQNGGB-KWQFWETISA-N -1 0 358.376 -0.163 20 0 FBADRM C[C@H]1[C@H](Nc2ccc(S(N)(=O)=O)c(F)c2)C(=O)N1S(=O)(=O)[O-] ZINC001167861533 836094357 /nfs/dbraw/zinc/09/43/57/836094357.db2.gz SRWKSGNSCVWCAR-CDUCUWFYSA-N -1 0 353.353 -0.713 20 0 FBADRM COc1ccc(-c2nn[nH]n2)cc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167861639 836094718 /nfs/dbraw/zinc/09/47/18/836094718.db2.gz UWXIDZXQGYHBGX-WKEGUHRASA-N -1 0 354.348 -0.311 20 0 FBADRM C[C@H]1[C@H](Nc2cnc(=O)n(Cc3cccnc3)c2)C(=O)N1S(=O)(=O)[O-] ZINC001167861746 836094390 /nfs/dbraw/zinc/09/43/90/836094390.db2.gz NURARQPSKHHTNG-CABZTGNLSA-N -1 0 365.371 -0.499 20 0 FBADRM C[C@H]1[C@H](Nc2cnc(=O)n(CC(F)(F)F)c2)C(=O)N1S(=O)(=O)[O-] ZINC001167861770 836094683 /nfs/dbraw/zinc/09/46/83/836094683.db2.gz OBRLUABJMMWHDG-FSPLSTOPSA-N -1 0 356.282 -0.380 20 0 FBADRM C[C@H]1[C@H](Nc2ccc(CN3CCOCC3)nc2)C(=O)N1S(=O)(=O)[O-] ZINC001167862095 836094873 /nfs/dbraw/zinc/09/48/73/836094873.db2.gz YLMPORKMTNCKED-GWCFXTLKSA-N -1 0 356.404 -0.272 20 0 FBADRM COC(=O)c1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cn2ncnc12 ZINC001167862128 836094621 /nfs/dbraw/zinc/09/46/21/836094621.db2.gz PNCBHJOXTFMFCG-RCOVLWMOSA-N -1 0 355.332 -0.670 20 0 FBADRM C[C@H]1[C@H](Nc2cnc(OC3CCOCC3)nc2)C(=O)N1S(=O)(=O)[O-] ZINC001167862137 836094380 /nfs/dbraw/zinc/09/43/80/836094380.db2.gz PPVYPKMUOHLAKS-KWQFWETISA-N -1 0 358.376 -0.152 20 0 FBADRM C[C@H]1[C@H](Nc2ccc(=O)n(CC(F)(F)F)n2)C(=O)N1S(=O)(=O)[O-] ZINC001167862141 836094697 /nfs/dbraw/zinc/09/46/97/836094697.db2.gz PRMJVMJZVSRTEN-XNCJUZBTSA-N -1 0 356.282 -0.380 20 0 FBADRM C[C@H]1[C@H](Nc2cncc(CN3CCOCC3=O)c2)C(=O)N1S(=O)(=O)[O-] ZINC001167862163 836094849 /nfs/dbraw/zinc/09/48/49/836094849.db2.gz QCKGDILMHVHDEP-ZANVPECISA-N -1 0 370.387 -0.746 20 0 FBADRM C[C@H]1[C@H](Nc2ccc(=O)n(Cc3ccncc3)n2)C(=O)N1S(=O)(=O)[O-] ZINC001167862175 836094541 /nfs/dbraw/zinc/09/45/41/836094541.db2.gz QMLRAKLYIIDDHS-ZANVPECISA-N -1 0 365.371 -0.499 20 0 FBADRM C[C@H]1[C@H](Nc2ccc([C@]3(C)NC(=O)NC3=O)cc2)C(=O)N1S(=O)(=O)[O-] ZINC001167862213 836095992 /nfs/dbraw/zinc/09/59/92/836095992.db2.gz RLSRZKNXHHPAAI-BNOYYICYSA-N -1 0 368.371 -0.445 20 0 FBADRM C[C@H]1[C@H](Nc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C(=O)N1S(=O)(=O)[O-] ZINC001167862214 836095984 /nfs/dbraw/zinc/09/59/84/836095984.db2.gz RLSRZKNXHHPAAI-MRCLBUSBSA-N -1 0 368.371 -0.445 20 0 FBADRM COc1cc(S(C)(=O)=O)ccc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167862234 836095228 /nfs/dbraw/zinc/09/52/28/836095228.db2.gz SLAPQLNHVVKAFM-CPCISQLKSA-N -1 0 364.401 -0.087 20 0 FBADRM COC(=O)c1ccnc(C(=O)OC)c1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167862244 836095380 /nfs/dbraw/zinc/09/53/80/836095380.db2.gz TUHNRSZFLMTTAF-XPUUQOCRSA-N -1 0 373.343 -0.531 20 0 FBADRM C[C@H]1[C@H](Nc2ccnn(Cc3cccnc3)c2=O)C(=O)N1S(=O)(=O)[O-] ZINC001167862457 836095728 /nfs/dbraw/zinc/09/57/28/836095728.db2.gz VBJFKUBVQOJZSR-CABZTGNLSA-N -1 0 365.371 -0.499 20 0 FBADRM Cc1nc(S(C)(=O)=O)ncc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167862476 836095274 /nfs/dbraw/zinc/09/52/74/836095274.db2.gz VHZWETZURJQLOR-XPUUQOCRSA-N -1 0 350.378 -0.997 20 0 FBADRM COC(=O)c1nc2ccc(N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)[nH]c-2n1 ZINC001167862506 836095492 /nfs/dbraw/zinc/09/54/92/836095492.db2.gz WVWBWRDBVVUMGB-XNCJUZBTSA-N -1 0 355.332 -0.442 20 0 FBADRM C[C@H]1[C@H](Nc2cncc(NS(C)(=O)=O)c2)C(=O)N1S(=O)(=O)[O-] ZINC001167862514 836095240 /nfs/dbraw/zinc/09/52/40/836095240.db2.gz XEYOLMNYBCYLRO-RCOVLWMOSA-N -1 0 350.378 -0.733 20 0 FBADRM C[C@H]1[C@H](Nc2ccc(N(C)c3nnnn3C)nc2)C(=O)N1S(=O)(=O)[O-] ZINC001167862522 836095977 /nfs/dbraw/zinc/09/59/77/836095977.db2.gz XMJYFPPSBXBEGW-XVKPBYJWSA-N -1 0 368.379 -0.813 20 0 FBADRM CCOC(=O)c1cn2nc(N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)ccc2n1 ZINC001167862526 836095856 /nfs/dbraw/zinc/09/58/56/836095856.db2.gz XPQZLCFIGVFZQI-CPCISQLKSA-N -1 0 369.359 -0.280 20 0 FBADRM Cc1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc(S(C)(=O)=O)n1 ZINC001167862537 836096001 /nfs/dbraw/zinc/09/60/01/836096001.db2.gz YCQKFRLXFCUJIY-XPUUQOCRSA-N -1 0 350.378 -0.997 20 0 FBADRM C[C@H]1[C@H](Nc2cn(Cc3cccnc3)c(=O)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001167862545 836095684 /nfs/dbraw/zinc/09/56/84/836095684.db2.gz YORSTDSMWRBYNO-ZANVPECISA-N -1 0 365.371 -0.499 20 0 FBADRM C[C@H]1[C@H](Nc2cnc(OC3CCOCC3)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001167862563 836095882 /nfs/dbraw/zinc/09/58/82/836095882.db2.gz ZQKALANPKWHSIG-UFBFGSQYSA-N -1 0 358.376 -0.152 20 0 FBADRM O=C(NCCNc1ccc2c(c1)S(=O)(=O)[N-]C2=O)N1CCOCC1 ZINC001167890959 836096528 /nfs/dbraw/zinc/09/65/28/836096528.db2.gz BLSPTEFVVIFYOZ-UHFFFAOYSA-N -1 0 354.388 -0.428 20 0 FBADRM Cc1cc([N-]S(=O)(=O)c2ccc(NC(CO)(CO)CO)nc2)no1 ZINC001167926148 836115573 /nfs/dbraw/zinc/11/55/73/836115573.db2.gz FPUBHIPWHFBZDR-UHFFFAOYSA-N -1 0 358.376 -0.694 20 0 FBADRM O=S(=O)([N-]c1nccs1)c1ccc(NC(CO)(CO)CO)nc1 ZINC001167926943 836115099 /nfs/dbraw/zinc/11/50/99/836115099.db2.gz MBXJZGJOKHNRNP-UHFFFAOYSA-N -1 0 360.417 -0.534 20 0 FBADRM O=S(=O)([N-]c1ccccn1)c1ccc(NC(CO)(CO)CO)nc1 ZINC001167927390 836114970 /nfs/dbraw/zinc/11/49/70/836114970.db2.gz RWAFBINZDHGCPV-UHFFFAOYSA-N -1 0 354.388 -0.595 20 0 FBADRM Cn1nc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)c(=O)n(C)c1=O ZINC001167936000 836119044 /nfs/dbraw/zinc/11/90/44/836119044.db2.gz GJCPLJCJENPMFC-UHFFFAOYSA-N -1 0 352.287 -0.436 20 0 FBADRM N=C(Nc1cc(CN2CCNC(=O)C2)ccn1)SCCS(=O)(=O)[O-] ZINC001168089870 836404276 /nfs/dbraw/zinc/40/42/76/836404276.db2.gz APTDBZWGTLHMCC-UHFFFAOYSA-N -1 0 373.460 -0.019 20 0 FBADRM N=C(Nc1ccc(S(N)(=O)=O)c(F)n1)SCCS(=O)(=O)[O-] ZINC001168089962 836404239 /nfs/dbraw/zinc/40/42/39/836404239.db2.gz CPUOQDJGWIRMCE-UHFFFAOYSA-N -1 0 358.398 -0.164 20 0 FBADRM N=C(Nc1ccc(CS(N)(=O)=O)cn1)SCCS(=O)(=O)[O-] ZINC001168091242 836405944 /nfs/dbraw/zinc/40/59/44/836405944.db2.gz TUMFUNXXAGBOKQ-UHFFFAOYSA-N -1 0 354.435 -0.162 20 0 FBADRM CN1CCN(c2cc(NC(=N)SCCS(=O)(=O)[O-])ncn2)CC1=O ZINC001168091258 836405399 /nfs/dbraw/zinc/40/53/99/836405399.db2.gz UKSHZDCEIOJIHD-UHFFFAOYSA-N -1 0 374.448 -0.277 20 0 FBADRM NC(=O)[C@@H]1CN(C(=O)c2cc(Br)cc(F)c2[O-])C[C@H]1C(N)=O ZINC001168320006 836511550 /nfs/dbraw/zinc/51/15/50/836511550.db2.gz WHYJWPJGVCHBOH-HTQZYQBOSA-N -1 0 374.166 -0.047 20 0 FBADRM NC(=O)[C@H]1CN(C(=O)c2cc(Br)cc(F)c2[O-])C[C@H]1C(N)=O ZINC001168320007 836511968 /nfs/dbraw/zinc/51/19/68/836511968.db2.gz WHYJWPJGVCHBOH-OCAPTIKFSA-N -1 0 374.166 -0.047 20 0 FBADRM NC(=O)[C@H]1CN(C(=O)c2cc(Br)cc(F)c2[O-])C[C@@H]1C(N)=O ZINC001168320008 836511802 /nfs/dbraw/zinc/51/18/02/836511802.db2.gz WHYJWPJGVCHBOH-YUMQZZPRSA-N -1 0 374.166 -0.047 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)c2nnn[n-]2)c1 ZINC001168360288 836527719 /nfs/dbraw/zinc/52/77/19/836527719.db2.gz YTORKDSLILEORB-UHFFFAOYSA-N -1 0 354.392 -0.291 20 0 FBADRM COc1cc(C(=O)NC2=NCC(=O)N2C)cc([N-]S(C)(=O)=O)c1OC ZINC001168506307 837120907 /nfs/dbraw/zinc/12/09/07/837120907.db2.gz YTGFAMDURYOBFN-UHFFFAOYSA-N -1 0 370.387 -0.367 20 0 FBADRM NS(=O)(=O)N1CCC(NC(=O)c2n[n-]c3ccccc3c2=O)CC1 ZINC001168565876 837322320 /nfs/dbraw/zinc/32/23/20/837322320.db2.gz IENVLNIBSBIBKE-UHFFFAOYSA-N -1 0 351.388 -0.267 20 0 FBADRM C[NH+]1CCC(NC(=O)c2ccc(NCCOP(=O)([O-])[O-])nn2)CC1 ZINC001168590028 837344423 /nfs/dbraw/zinc/34/44/23/837344423.db2.gz SSWREPNVWHGWCD-UHFFFAOYSA-N -1 0 359.323 -0.178 20 0 FBADRM Cc1cc([N-]S(=O)(=O)c2ccc(-n3[n-]c(=O)nc3C[NH3+])nc2)no1 ZINC001168760181 837772235 /nfs/dbraw/zinc/77/22/35/837772235.db2.gz BDDBFTVSAWAXGH-UHFFFAOYSA-N -1 0 351.348 -0.076 20 0 FBADRM Cc1[nH]nc(I)c1C(=O)[N-]n1ccc(=O)[nH]c1=O ZINC001168869261 839252391 /nfs/dbraw/zinc/25/23/91/839252391.db2.gz PEDDGFDTNTYNDJ-UHFFFAOYSA-N -1 0 361.099 -0.031 20 0 FBADRM CCNS(=O)(=O)c1ccc(F)c(C(=O)[N-]n2ccc(=O)[nH]c2=O)c1 ZINC001168869941 839252055 /nfs/dbraw/zinc/25/20/55/839252055.db2.gz XPCFDDIHOCASBE-UHFFFAOYSA-N -1 0 356.335 -0.230 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCN(CCCCCO)CC2)c1 ZINC001169066091 839253048 /nfs/dbraw/zinc/25/30/48/839253048.db2.gz XHYZJBCUZCRSPZ-UHFFFAOYSA-N -1 0 371.459 -0.040 20 0 FBADRM C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCS(=O)(=O)[O-] ZINC001169172642 839258258 /nfs/dbraw/zinc/25/82/58/839258258.db2.gz RXEGIYBGONNCJB-JTQLQIEISA-N -1 0 373.435 -0.573 20 0 FBADRM C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCS(=O)(=O)[O-] ZINC001169172643 839258465 /nfs/dbraw/zinc/25/84/65/839258465.db2.gz RXEGIYBGONNCJB-SNVBAGLBSA-N -1 0 373.435 -0.573 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1ccnc(N2CCSCC2)c1 ZINC001169226848 839258492 /nfs/dbraw/zinc/25/84/92/839258492.db2.gz SJNVVEALIPBFNO-UHFFFAOYSA-N -1 0 350.404 -0.046 20 0 FBADRM CS(=O)(=O)N1CCN(CCNc2cccc(S(=O)(=O)[O-])n2)CC1 ZINC001169342117 839271220 /nfs/dbraw/zinc/27/12/20/839271220.db2.gz HETZHKIDOHTDKA-UHFFFAOYSA-N -1 0 364.449 -0.683 20 0 FBADRM CS(=O)(=O)N1CCN(CCNc2cccc(S(=O)(=O)[O-])c2)CC1 ZINC001169343752 839270989 /nfs/dbraw/zinc/27/09/89/839270989.db2.gz KCAQHKPJEWXQTL-UHFFFAOYSA-N -1 0 363.461 -0.078 20 0 FBADRM Cn1[nH]c(=O)c2c1CN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])CC2 ZINC001169394041 839282876 /nfs/dbraw/zinc/28/28/76/839282876.db2.gz MHAXMRNPXQMQKH-UHFFFAOYSA-N -1 0 352.372 -0.323 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N(C)C2CS(=O)(=O)C2)c1 ZINC001169751681 839312991 /nfs/dbraw/zinc/31/29/91/839312991.db2.gz JKXHWQYZFGFOCK-UHFFFAOYSA-N -1 0 362.429 -0.489 20 0 FBADRM Cn1cc([C@H]2CN(C(=O)c3cc(S(N)(=O)=O)ccc3[O-])CCN2)cn1 ZINC001170112487 839479201 /nfs/dbraw/zinc/47/92/01/839479201.db2.gz OTVOQOMDPDOGMP-CYBMUJFWSA-N -1 0 365.415 -0.440 20 0 FBADRM Cn1cc([C@@H]2CN(C(=O)c3cc(S(N)(=O)=O)ccc3[O-])CCN2)cn1 ZINC001170112488 839478647 /nfs/dbraw/zinc/47/86/47/839478647.db2.gz OTVOQOMDPDOGMP-ZDUSSCGKSA-N -1 0 365.415 -0.440 20 0 FBADRM NC(=O)N[C@H](CO)C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001170165597 839490107 /nfs/dbraw/zinc/49/01/07/839490107.db2.gz WMNXVKDETGYGQZ-SECBINFHSA-N -1 0 366.271 -0.028 20 0 FBADRM NC(=O)N[C@@H](CO)C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001170165598 839490068 /nfs/dbraw/zinc/49/00/68/839490068.db2.gz WMNXVKDETGYGQZ-VIFPVBQESA-N -1 0 366.271 -0.028 20 0 FBADRM CS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)c1 ZINC001170375994 839492464 /nfs/dbraw/zinc/49/24/64/839492464.db2.gz QGSKHNKOFNPULM-LLVKDONJSA-N -1 0 355.351 -0.044 20 0 FBADRM CS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@H]2c2nnn[n-]2)c1 ZINC001170375995 839492423 /nfs/dbraw/zinc/49/24/23/839492423.db2.gz QGSKHNKOFNPULM-NSHDSACASA-N -1 0 355.351 -0.044 20 0 FBADRM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N2CCOC[C@@H]2c2nnn[n-]2)C1 ZINC001170376313 839491926 /nfs/dbraw/zinc/49/19/26/839491926.db2.gz YQVKWJSETZXOPX-GHMZBOCLSA-N -1 0 352.395 -0.627 20 0 FBADRM CC(C)(C)C(=O)N1CCO[C@H](C(=O)N2CCOC[C@@H]2c2nnn[n-]2)C1 ZINC001170376314 839492311 /nfs/dbraw/zinc/49/23/11/839492311.db2.gz YQVKWJSETZXOPX-MNOVXSKESA-N -1 0 352.395 -0.627 20 0 FBADRM CC(C)(C)C(=O)N1CCO[C@H](C(=O)N2CCOC[C@H]2c2nnn[n-]2)C1 ZINC001170376315 839492403 /nfs/dbraw/zinc/49/24/03/839492403.db2.gz YQVKWJSETZXOPX-QWRGUYRKSA-N -1 0 352.395 -0.627 20 0 FBADRM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N2CCOC[C@H]2c2nnn[n-]2)C1 ZINC001170376316 839492498 /nfs/dbraw/zinc/49/24/98/839492498.db2.gz YQVKWJSETZXOPX-WDEREUQCSA-N -1 0 352.395 -0.627 20 0 FBADRM CS(=O)(=O)Nc1ccccc1CC(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001170381944 839492554 /nfs/dbraw/zinc/49/25/54/839492554.db2.gz ALEDAPXQOSUWLY-GFCCVEGCSA-N -1 0 366.403 -0.286 20 0 FBADRM CS(=O)(=O)Nc1ccccc1CC(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001170381946 839492225 /nfs/dbraw/zinc/49/22/25/839492225.db2.gz ALEDAPXQOSUWLY-LBPRGKRZSA-N -1 0 366.403 -0.286 20 0 FBADRM O=C(N[C@@H]1COC[C@@H]1O)c1cnc(I)c([O-])c1 ZINC001170456672 839522409 /nfs/dbraw/zinc/52/24/09/839522409.db2.gz UAEXYEXBPSXPIP-SVRRBLITSA-N -1 0 350.112 -0.119 20 0 FBADRM COC(=O)c1ncc(=O)[nH]c1Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001170484898 839616508 /nfs/dbraw/zinc/61/65/08/839616508.db2.gz DYMJVOSIWMEUEQ-UHFFFAOYSA-N -1 0 350.312 -0.268 20 0 FBADRM CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001170731787 839729667 /nfs/dbraw/zinc/72/96/67/839729667.db2.gz LITCZHRZLJCOLY-SECBINFHSA-N -1 0 357.367 -0.559 20 0 FBADRM CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001170731797 839729304 /nfs/dbraw/zinc/72/93/04/839729304.db2.gz LITCZHRZLJCOLY-VIFPVBQESA-N -1 0 357.367 -0.559 20 0 FBADRM CCOC(=O)c1nc(=NCC(=O)NCC(=O)OC)c2sccc2[n-]1 ZINC001170945181 839763037 /nfs/dbraw/zinc/76/30/37/839763037.db2.gz HMJHVOHNRSLBPG-UHFFFAOYSA-N -1 0 352.372 -0.009 20 0 FBADRM N[C@H]1[C@H](n2ccc(Nc3cc(F)ccc3[S-])nc2=O)O[C@H](CO)[C@H]1O ZINC001171267038 839907255 /nfs/dbraw/zinc/90/72/55/839907255.db2.gz UPEZSXWVNKRJSW-ICGCDAGXSA-N -1 0 368.390 -0.173 20 0 FBADRM C[C@@H]1CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CCS1(=O)=O ZINC001171614936 840258062 /nfs/dbraw/zinc/25/80/62/840258062.db2.gz DZSBBMHCZXKWOL-SECBINFHSA-N -1 0 352.372 -0.475 20 0 FBADRM C[C@H]1[C@H](N[C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)C(=O)N1S(=O)(=O)[O-] ZINC001171687159 840258883 /nfs/dbraw/zinc/25/88/83/840258883.db2.gz IBKDRXPWDOGJCS-NRPADANISA-N -1 0 363.392 -0.486 20 0 FBADRM C[C@H]1[C@H](N[C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)C(=O)N1S(=O)(=O)[O-] ZINC001171687160 840259503 /nfs/dbraw/zinc/25/95/03/840259503.db2.gz IBKDRXPWDOGJCS-XKSSXDPKSA-N -1 0 363.392 -0.486 20 0 FBADRM CC(=O)Nc1cccc(-n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)c1 ZINC001173829929 840275520 /nfs/dbraw/zinc/27/55/20/840275520.db2.gz CGCBEMMLVKYPMR-UHFFFAOYSA-N -1 0 354.348 -0.344 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc2c(c1)OCCO2 ZINC001173875849 840275957 /nfs/dbraw/zinc/27/59/57/840275957.db2.gz BFCDHBPOFRTNJZ-UHFFFAOYSA-N -1 0 355.332 -0.531 20 0 FBADRM COc1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1OC ZINC001173885468 840275857 /nfs/dbraw/zinc/27/58/57/840275857.db2.gz CLPFXGQTTOWASH-UHFFFAOYSA-N -1 0 357.348 -0.285 20 0 FBADRM COc1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c(OC)c1 ZINC001173890204 840275273 /nfs/dbraw/zinc/27/52/73/840275273.db2.gz RCZDAIZEFVNNIH-UHFFFAOYSA-N -1 0 357.348 -0.285 20 0 FBADRM COc1ccc(OC)c(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001173918255 840275899 /nfs/dbraw/zinc/27/58/99/840275899.db2.gz SRMSFXBLUXYEOH-UHFFFAOYSA-N -1 0 357.348 -0.285 20 0 FBADRM COc1cccc(OC)c1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001173921612 840275257 /nfs/dbraw/zinc/27/52/57/840275257.db2.gz PGWYIONISINHPE-UHFFFAOYSA-N -1 0 357.348 -0.285 20 0 FBADRM COC(=O)c1cccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001173962646 840275970 /nfs/dbraw/zinc/27/59/70/840275970.db2.gz UTXYUKJRHSXXNW-UHFFFAOYSA-N -1 0 355.332 -0.516 20 0 FBADRM CC(=O)Nc1ccc(-n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)cc1 ZINC001173974911 840275278 /nfs/dbraw/zinc/27/52/78/840275278.db2.gz IEELOQDSSYUYDI-UHFFFAOYSA-N -1 0 354.348 -0.344 20 0 FBADRM CC(=O)Nc1ccccc1-n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001173990816 840275799 /nfs/dbraw/zinc/27/57/99/840275799.db2.gz UTVNFUHQVGMNJD-UHFFFAOYSA-N -1 0 354.348 -0.344 20 0 FBADRM CN(C)C(=O)c1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1 ZINC001174004804 840275236 /nfs/dbraw/zinc/27/52/36/840275236.db2.gz OKBPYYLQOXPLMK-UHFFFAOYSA-N -1 0 368.375 -0.600 20 0 FBADRM COc1cccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1OC ZINC001174014816 840275836 /nfs/dbraw/zinc/27/58/36/840275836.db2.gz JCVIUPIATIVPRG-UHFFFAOYSA-N -1 0 357.348 -0.285 20 0 FBADRM CN(C)C(=O)c1cccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001174082743 840275931 /nfs/dbraw/zinc/27/59/31/840275931.db2.gz XWDJNQOPDFHBEL-UHFFFAOYSA-N -1 0 368.375 -0.600 20 0 FBADRM CNC(=O)c1cccc(-n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)c1 ZINC001174141028 840275814 /nfs/dbraw/zinc/27/58/14/840275814.db2.gz AJCAAACQVAPWBD-UHFFFAOYSA-N -1 0 354.348 -0.943 20 0 FBADRM CC(=O)NCc1ccc(-n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)cc1 ZINC001174231104 840275883 /nfs/dbraw/zinc/27/58/83/840275883.db2.gz UEODJNFEYVUWFJ-UHFFFAOYSA-N -1 0 368.375 -0.666 20 0 FBADRM COc1cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cnc1OC ZINC001174543713 840276987 /nfs/dbraw/zinc/27/69/87/840276987.db2.gz ZHFIMQIVQGVNSE-UHFFFAOYSA-N -1 0 358.336 -0.890 20 0 FBADRM COc1cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc(F)c1F ZINC001174580097 840276344 /nfs/dbraw/zinc/27/63/44/840276344.db2.gz BRFZGKKIAGKPMX-UHFFFAOYSA-N -1 0 363.302 -0.015 20 0 FBADRM CC(C)(O)c1cncc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001174590819 840277055 /nfs/dbraw/zinc/27/70/55/840277055.db2.gz XVXWPUYZSXQUBY-UHFFFAOYSA-N -1 0 356.364 -0.680 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cnn([C@H]2CCCCO2)c1 ZINC001174596929 840276838 /nfs/dbraw/zinc/27/68/38/840276838.db2.gz CVXOAXUCVJCSER-MRVPVSSYSA-N -1 0 371.379 -0.407 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cnn([C@@H]2CCCCO2)c1 ZINC001174596930 840276768 /nfs/dbraw/zinc/27/67/68/840276768.db2.gz CVXOAXUCVJCSER-QMMMGPOBSA-N -1 0 371.379 -0.407 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C1=CCC2(CC1)OCCO2 ZINC001174637978 840276453 /nfs/dbraw/zinc/27/64/53/840276453.db2.gz PIBVUSYHMPRHMK-UHFFFAOYSA-N -1 0 359.364 -0.524 20 0 FBADRM COc1c(F)ccc(F)c1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001174659595 840278085 /nfs/dbraw/zinc/27/80/85/840278085.db2.gz ILRHVBMCULVIPZ-UHFFFAOYSA-N -1 0 363.302 -0.015 20 0 FBADRM CCc1nc2ccc(C(=O)N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)cn2n1 ZINC001174667328 840278176 /nfs/dbraw/zinc/27/81/76/840278176.db2.gz GDZDYVIJQZLFLG-CPCISQLKSA-N -1 0 353.360 -0.576 20 0 FBADRM CCO[C@@H](C)n1cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cn1 ZINC001174692672 840278284 /nfs/dbraw/zinc/27/82/84/840278284.db2.gz GLPHRTINPFOYGG-LURJTMIESA-N -1 0 359.368 -0.551 20 0 FBADRM CCO[C@H](C)n1cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cn1 ZINC001174692673 840277998 /nfs/dbraw/zinc/27/79/98/840277998.db2.gz GLPHRTINPFOYGG-ZCFIWIBFSA-N -1 0 359.368 -0.551 20 0 FBADRM CC(C)Oc1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cn1 ZINC001174762012 840278975 /nfs/dbraw/zinc/27/89/75/840278975.db2.gz VBYDKUXZNNADDL-UHFFFAOYSA-N -1 0 356.364 -0.120 20 0 FBADRM Cn1nc2c(c1C(=O)N[C@@H]1CO[N-]C1=O)CN(C(=O)OC(C)(C)C)C2 ZINC001174902204 840279603 /nfs/dbraw/zinc/27/96/03/840279603.db2.gz HFHJVZVXEXETRE-SNVBAGLBSA-N -1 0 351.363 -0.169 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001174904730 840278695 /nfs/dbraw/zinc/27/86/95/840278695.db2.gz OGEGVONDTUWILN-JMCQJSRRSA-N -1 0 350.297 -0.356 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001174904731 840279331 /nfs/dbraw/zinc/27/93/31/840279331.db2.gz OGEGVONDTUWILN-JVXZTZIISA-N -1 0 350.297 -0.356 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001174904732 840278760 /nfs/dbraw/zinc/27/87/60/840278760.db2.gz OGEGVONDTUWILN-KRTXAFLBSA-N -1 0 350.297 -0.356 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001174904733 840278941 /nfs/dbraw/zinc/27/89/41/840278941.db2.gz OGEGVONDTUWILN-MADCSZMMSA-N -1 0 350.297 -0.356 20 0 FBADRM CN1CCn2nc(NC(=O)c3cc(S(N)(=O)=O)ccc3[O-])cc2C1 ZINC001174921776 840279580 /nfs/dbraw/zinc/27/95/80/840279580.db2.gz UDVASZVRBKQLBY-UHFFFAOYSA-N -1 0 351.388 -0.066 20 0 FBADRM COc1cc(F)c(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1F ZINC001174923095 840279012 /nfs/dbraw/zinc/27/90/12/840279012.db2.gz DGGKNTNFBVPCJE-UHFFFAOYSA-N -1 0 363.302 -0.015 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@H](CO)Cc1c[nH]cn1 ZINC001174940127 840278984 /nfs/dbraw/zinc/27/89/84/840278984.db2.gz AWTLVLJJGQWYLY-JTQLQIEISA-N -1 0 374.369 -0.314 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)N2CCC(c3nnn[n-]3)CC2)CC1 ZINC001174941731 840278643 /nfs/dbraw/zinc/27/86/43/840278643.db2.gz WJTYHJFCCUELRK-UHFFFAOYSA-N -1 0 356.452 -0.033 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc2occc(=O)c2c1 ZINC001174943926 840279196 /nfs/dbraw/zinc/27/91/96/840279196.db2.gz LVVHNGYCNWJYOY-UHFFFAOYSA-N -1 0 365.327 -0.196 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cc3c(cn2)OCC3(C)C)C(=O)N1S(=O)(=O)[O-] ZINC001174955797 840278954 /nfs/dbraw/zinc/27/89/54/840278954.db2.gz NGNLUKNWSQEQAS-CPCISQLKSA-N -1 0 355.372 -0.117 20 0 FBADRM COc1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c(F)c1F ZINC001175019683 840280504 /nfs/dbraw/zinc/28/05/04/840280504.db2.gz AMANFYWPSQLUQI-UHFFFAOYSA-N -1 0 363.302 -0.015 20 0 FBADRM COc1cc(C(=O)N2CC(C(N)=O)C2)cc([N-]S(C)(=O)=O)c1OC ZINC001175044099 840280470 /nfs/dbraw/zinc/28/04/70/840280470.db2.gz HYCJZIKOAJDVLU-UHFFFAOYSA-N -1 0 357.388 -0.367 20 0 FBADRM COc1cc(OC)cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001175106621 840280759 /nfs/dbraw/zinc/28/07/59/840280759.db2.gz RNLKHDRLOLDQLJ-UHFFFAOYSA-N -1 0 357.348 -0.285 20 0 FBADRM COc1ccc(F)c(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1F ZINC001175117531 840280627 /nfs/dbraw/zinc/28/06/27/840280627.db2.gz JDIUVHNDRGJZAG-UHFFFAOYSA-N -1 0 363.302 -0.015 20 0 FBADRM CC(C)c1nc(CC(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)no1 ZINC001175253558 840282668 /nfs/dbraw/zinc/28/26/68/840282668.db2.gz XUMJCVTVMPLPSU-UHFFFAOYSA-N -1 0 373.351 -0.902 20 0 FBADRM C[S@@](=O)c1ccccc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001175304665 840284715 /nfs/dbraw/zinc/28/47/15/840284715.db2.gz JPRLLFTUAQOKQH-JOCHJYFZSA-N -1 0 359.389 -0.565 20 0 FBADRM C[S@](=O)c1ccccc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001175304670 840284992 /nfs/dbraw/zinc/28/49/92/840284992.db2.gz JPRLLFTUAQOKQH-QFIPXVFZSA-N -1 0 359.389 -0.565 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc(N2CCCC2)nc1 ZINC001175350065 840285066 /nfs/dbraw/zinc/28/50/66/840285066.db2.gz SLGBTGAPLLVGSX-UHFFFAOYSA-N -1 0 367.391 -0.307 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)CCc1ccc(F)nc1 ZINC001175368642 840286361 /nfs/dbraw/zinc/28/63/61/840286361.db2.gz XUNFGFWYQFJXAQ-UHFFFAOYSA-N -1 0 372.338 -0.484 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc(-n2cccn2)cc1 ZINC001175369057 840286090 /nfs/dbraw/zinc/28/60/90/840286090.db2.gz OBOSHYRZNLMXBQ-UHFFFAOYSA-N -1 0 363.359 -0.117 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)CCc1cc(F)ccn1 ZINC001175414664 840286679 /nfs/dbraw/zinc/28/66/79/840286679.db2.gz STCAKQIQHTVAHN-UHFFFAOYSA-N -1 0 372.338 -0.484 20 0 FBADRM Cn1ncc2cc(-n3c(N)c(N)c(OS(=O)(=O)[O-])nc3=N)ccc21 ZINC001175421298 840285836 /nfs/dbraw/zinc/28/58/36/840285836.db2.gz ZJNCXEFFRDTUIF-UHFFFAOYSA-N -1 0 351.348 -0.416 20 0 FBADRM Cn1ncc2c1cccc2-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001175433919 840286440 /nfs/dbraw/zinc/28/64/40/840286440.db2.gz NDAWSHGZPWPMJM-UHFFFAOYSA-N -1 0 351.348 -0.416 20 0 FBADRM Cn1ncc2cccc(-n3c(N)c(N)c(OS(=O)(=O)[O-])nc3=N)c21 ZINC001175440567 840285768 /nfs/dbraw/zinc/28/57/68/840285768.db2.gz JEKNEIMKQQLZOG-UHFFFAOYSA-N -1 0 351.348 -0.416 20 0 FBADRM Cn1cc2cccc(-n3c(N)c(N)c(OS(=O)(=O)[O-])nc3=N)c2n1 ZINC001175456234 840285872 /nfs/dbraw/zinc/28/58/72/840285872.db2.gz GSNZFPXRSBKPJC-UHFFFAOYSA-N -1 0 351.348 -0.416 20 0 FBADRM Cc1c2c[nH]nc2ccc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001175468473 840286299 /nfs/dbraw/zinc/28/62/99/840286299.db2.gz MSVMAXLIAXCGOL-UHFFFAOYSA-N -1 0 351.348 -0.118 20 0 FBADRM C[S@@](=O)c1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1 ZINC001175475274 840286497 /nfs/dbraw/zinc/28/64/97/840286497.db2.gz WNEQSOFQEPEESB-JOCHJYFZSA-N -1 0 359.389 -0.565 20 0 FBADRM C[S@](=O)c1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1 ZINC001175475276 840286317 /nfs/dbraw/zinc/28/63/17/840286317.db2.gz WNEQSOFQEPEESB-QFIPXVFZSA-N -1 0 359.389 -0.565 20 0 FBADRM Cc1cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc2c[nH]nc21 ZINC001175517053 840287246 /nfs/dbraw/zinc/28/72/46/840287246.db2.gz OWERAULQAYZQAB-UHFFFAOYSA-N -1 0 351.348 -0.118 20 0 FBADRM Cc1ccc2n[nH]cc2c1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001175523267 840287509 /nfs/dbraw/zinc/28/75/09/840287509.db2.gz DAXFUWNROWVRQP-UHFFFAOYSA-N -1 0 351.348 -0.118 20 0 FBADRM O=C(CNS(=O)(=O)c1ccccc1F)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001175552166 840287871 /nfs/dbraw/zinc/28/78/71/840287871.db2.gz AVZGSANXODZIFS-SECBINFHSA-N -1 0 354.367 -0.367 20 0 FBADRM O=C(CNS(=O)(=O)c1ccccc1F)N1CC[C@H](c2nnn[n-]2)C1 ZINC001175552167 840287273 /nfs/dbraw/zinc/28/72/73/840287273.db2.gz AVZGSANXODZIFS-VIFPVBQESA-N -1 0 354.367 -0.367 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)ccc1F ZINC001175562350 840287455 /nfs/dbraw/zinc/28/74/55/840287455.db2.gz PXBGTYGRUMBEJW-SECBINFHSA-N -1 0 354.367 -0.123 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)ccc1F ZINC001175562351 840287758 /nfs/dbraw/zinc/28/77/58/840287758.db2.gz PXBGTYGRUMBEJW-VIFPVBQESA-N -1 0 354.367 -0.123 20 0 FBADRM COc1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c(OC)n1 ZINC001175583558 840287752 /nfs/dbraw/zinc/28/77/52/840287752.db2.gz ASUAAMFXRULLOQ-UHFFFAOYSA-N -1 0 358.336 -0.890 20 0 FBADRM Cn1cc2c(cccc2-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)n1 ZINC001175589577 840287647 /nfs/dbraw/zinc/28/76/47/840287647.db2.gz VXKHWARVYRXREK-UHFFFAOYSA-N -1 0 351.348 -0.416 20 0 FBADRM Cn1cc2ccc(-n3c(N)c(N)c(OS(=O)(=O)[O-])nc3=N)cc2n1 ZINC001175610771 840288380 /nfs/dbraw/zinc/28/83/80/840288380.db2.gz KNNMLDGVDZBSSN-UHFFFAOYSA-N -1 0 351.348 -0.416 20 0 FBADRM Cn1cc2cc(-n3c(N)c(N)c(OS(=O)(=O)[O-])nc3=N)ccc2n1 ZINC001175617247 840289078 /nfs/dbraw/zinc/28/90/78/840289078.db2.gz RPTSSUJTEJYLFY-UHFFFAOYSA-N -1 0 351.348 -0.416 20 0 FBADRM CCNC(=O)c1ccc(-n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)cc1 ZINC001175627020 840288265 /nfs/dbraw/zinc/28/82/65/840288265.db2.gz IMTFUSPZTBIMEW-UHFFFAOYSA-N -1 0 368.375 -0.553 20 0 FBADRM Cc1n[nH]c2cc(-n3c(=N)nc(OS(=O)(=O)[O-])c(N)c3N)ccc12 ZINC001175656244 840288565 /nfs/dbraw/zinc/28/85/65/840288565.db2.gz BYNHMHQYHPZKQZ-UHFFFAOYSA-N -1 0 351.348 -0.118 20 0 FBADRM C[C@H]1[C@H](NC(=O)Cn2ccc3sccc3c2=O)C(=O)N1S(=O)(=O)[O-] ZINC001175688123 840289042 /nfs/dbraw/zinc/28/90/42/840289042.db2.gz SZVLKVBFTSXBSS-CPCISQLKSA-N -1 0 371.396 -0.419 20 0 FBADRM Cc1n[nH]c2ccc(-n3c(=N)nc(OS(=O)(=O)[O-])c(N)c3N)cc12 ZINC001175693683 840288703 /nfs/dbraw/zinc/28/87/03/840288703.db2.gz HFVGNEBBSQCLIH-UHFFFAOYSA-N -1 0 351.348 -0.118 20 0 FBADRM COc1cc(F)c(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c(F)c1 ZINC001175720449 840288592 /nfs/dbraw/zinc/28/85/92/840288592.db2.gz KZVQKUMFHNMKGO-UHFFFAOYSA-N -1 0 363.302 -0.015 20 0 FBADRM COCCOc1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1 ZINC001175786217 840289327 /nfs/dbraw/zinc/28/93/27/840289327.db2.gz KRLFHLPOGSHCMD-UHFFFAOYSA-N -1 0 371.375 -0.277 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cnn(-c2ccccc2)c1 ZINC001175792371 840290413 /nfs/dbraw/zinc/29/04/13/840290413.db2.gz JSPXNNNFDPJWIB-UHFFFAOYSA-N -1 0 363.359 -0.117 20 0 FBADRM Cc1cnccc1CCC(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001175844649 840290387 /nfs/dbraw/zinc/29/03/87/840290387.db2.gz LKUZEPNDMLABGU-UHFFFAOYSA-N -1 0 368.375 -0.315 20 0 FBADRM CS(=O)(=O)NC[C@H]1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C1 ZINC001175954779 840292660 /nfs/dbraw/zinc/29/26/60/840292660.db2.gz BUABYYPJPVENNR-LLVKDONJSA-N -1 0 372.472 -0.120 20 0 FBADRM CS(=O)(=O)NC[C@@H]1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C1 ZINC001175954780 840292475 /nfs/dbraw/zinc/29/24/75/840292475.db2.gz BUABYYPJPVENNR-NSHDSACASA-N -1 0 372.472 -0.120 20 0 FBADRM COc1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1CO ZINC001175981607 840292003 /nfs/dbraw/zinc/29/20/03/840292003.db2.gz OYOCOIUWHWCOBD-UHFFFAOYSA-N -1 0 357.348 -0.801 20 0 FBADRM Cc1cncc(CCC(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001176033011 840292442 /nfs/dbraw/zinc/29/24/42/840292442.db2.gz VFHCXCJUFWFEDL-UHFFFAOYSA-N -1 0 368.375 -0.315 20 0 FBADRM Cc1nc(CC(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)cs1 ZINC001176093711 840291910 /nfs/dbraw/zinc/29/19/10/840291910.db2.gz GSEFRZOZHZFGLD-UHFFFAOYSA-N -1 0 360.377 -0.644 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc2c(c1)CCC2=O ZINC001176230619 840293115 /nfs/dbraw/zinc/29/31/15/840293115.db2.gz OQIVOTHVYLJAGP-UHFFFAOYSA-N -1 0 351.344 -0.173 20 0 FBADRM CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001176379910 840294900 /nfs/dbraw/zinc/29/49/00/840294900.db2.gz KHNGJZIPMSWGLV-SECBINFHSA-N -1 0 363.421 -0.871 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc2c(c1)CC(=O)N2 ZINC001176426266 840294682 /nfs/dbraw/zinc/29/46/82/840294682.db2.gz CRZBAACUAXHDPJ-UHFFFAOYSA-N -1 0 352.332 -0.808 20 0 FBADRM CCOc1cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c(F)cn1 ZINC001176599648 840297755 /nfs/dbraw/zinc/29/77/55/840297755.db2.gz JOOBHGMHWQZSNL-UHFFFAOYSA-N -1 0 360.327 -0.369 20 0 FBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1nc[n-]c(=O)c1Br ZINC001176611821 840296457 /nfs/dbraw/zinc/29/64/57/840296457.db2.gz OWXXQLZHFHKFEE-ZETCQYMHSA-N -1 0 369.179 -0.245 20 0 FBADRM Cn1nnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCOC3)cc2)n1 ZINC001176639787 840298096 /nfs/dbraw/zinc/29/80/96/840298096.db2.gz BUBJZIAMYOLMSZ-SECBINFHSA-N -1 0 352.376 -0.014 20 0 FBADRM Cn1nnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCOC3)cc2)n1 ZINC001176639788 840297861 /nfs/dbraw/zinc/29/78/61/840297861.db2.gz BUBJZIAMYOLMSZ-VIFPVBQESA-N -1 0 352.376 -0.014 20 0 FBADRM Cn1nnc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)CO)cc2)n1 ZINC001176640207 840297880 /nfs/dbraw/zinc/29/78/80/840297880.db2.gz DPQRQEORTADNFY-UHFFFAOYSA-N -1 0 354.392 -0.032 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001176681065 840298745 /nfs/dbraw/zinc/29/87/45/840298745.db2.gz DWEVDTASBGHAHL-XCBNKYQSSA-N -1 0 353.331 -0.485 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001176681072 840298837 /nfs/dbraw/zinc/29/88/37/840298837.db2.gz DWEVDTASBGHAHL-XVKPBYJWSA-N -1 0 353.331 -0.485 20 0 FBADRM O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC1(c2nnn[n-]2)CCC1 ZINC001176725520 840299647 /nfs/dbraw/zinc/29/96/47/840299647.db2.gz KVRZMQUCPLZZEH-UHFFFAOYSA-N -1 0 362.371 -0.460 20 0 FBADRM CNS(=O)(=O)c1ccc(CC(=O)NC2(c3nnn[n-]3)CCC2)cc1 ZINC001176725569 840298932 /nfs/dbraw/zinc/29/89/32/840298932.db2.gz LITUFHVHUVQHKG-UHFFFAOYSA-N -1 0 350.404 -0.154 20 0 FBADRM CC(C)(C)OC(=O)N1Cc2ccnn2[C@@H](C(=O)N[C@@H]2CO[N-]C2=O)C1 ZINC001176732192 840299462 /nfs/dbraw/zinc/29/94/62/840299462.db2.gz DDIKFHLBBAJHHL-GHMZBOCLSA-N -1 0 351.363 -0.279 20 0 FBADRM CC(C)(C)OC(=O)N1Cc2ccnn2[C@H](C(=O)N[C@@H]2CO[N-]C2=O)C1 ZINC001176732196 840299512 /nfs/dbraw/zinc/29/95/12/840299512.db2.gz DDIKFHLBBAJHHL-MNOVXSKESA-N -1 0 351.363 -0.279 20 0 FBADRM CC(C)Oc1ncccc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001176733858 840299345 /nfs/dbraw/zinc/29/93/45/840299345.db2.gz SSHMDYUILPNCDS-UHFFFAOYSA-N -1 0 356.364 -0.120 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cccnc1N1CCCC1 ZINC001176749468 840299087 /nfs/dbraw/zinc/29/90/87/840299087.db2.gz FCUYAMDTKNIALD-UHFFFAOYSA-N -1 0 367.391 -0.307 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)C1(c2ccccn2)CC1 ZINC001176799377 840304578 /nfs/dbraw/zinc/30/45/78/840304578.db2.gz JLLFCJVBJCFDFZ-UHFFFAOYSA-N -1 0 366.359 -0.524 20 0 FBADRM CN1CCn2c(CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)nnc2C1=O ZINC001176806877 840301570 /nfs/dbraw/zinc/30/15/70/840301570.db2.gz XZLYFCFGNKUFHF-UHFFFAOYSA-N -1 0 362.312 -0.563 20 0 FBADRM NC(=O)c1cc(I)cnc1NC(=O)Cc1nnn[n-]1 ZINC001176837756 840303302 /nfs/dbraw/zinc/30/33/02/840303302.db2.gz FQMCFPGSVINKFP-UHFFFAOYSA-N -1 0 373.114 -0.521 20 0 FBADRM O=C(Cc1nnn[n-]1)N[C@H](CO)[C@H](O)c1ccc(Br)cc1 ZINC001176838522 840302461 /nfs/dbraw/zinc/30/24/61/840302461.db2.gz YJANIJXQZYYMKV-BXKDBHETSA-N -1 0 356.180 -0.285 20 0 FBADRM O=C(Cc1nnn[n-]1)N[C@@H](CO)[C@@H](O)c1ccc(Br)cc1 ZINC001176838523 840303048 /nfs/dbraw/zinc/30/30/48/840303048.db2.gz YJANIJXQZYYMKV-CABZTGNLSA-N -1 0 356.180 -0.285 20 0 FBADRM O=C(Cc1nnn[n-]1)N[C@@H](CO)[C@H](O)c1ccc(Br)cc1 ZINC001176838524 840303173 /nfs/dbraw/zinc/30/31/73/840303173.db2.gz YJANIJXQZYYMKV-JOYOIKCWSA-N -1 0 356.180 -0.285 20 0 FBADRM O=C(Cc1nnn[n-]1)N[C@H](CO)[C@@H](O)c1ccc(Br)cc1 ZINC001176838525 840302960 /nfs/dbraw/zinc/30/29/60/840302960.db2.gz YJANIJXQZYYMKV-SKDRFNHKSA-N -1 0 356.180 -0.285 20 0 FBADRM CCOC(=O)c1cnc2nc(SC)nn2c1NC(=O)Cc1nnn[n-]1 ZINC001176838532 840302921 /nfs/dbraw/zinc/30/29/21/840302921.db2.gz YWMYCMSYLSWOOM-UHFFFAOYSA-N -1 0 363.363 -0.283 20 0 FBADRM CS(=O)(=O)N1C[C@@H]2CN(C(=O)Cc3nnn[n-]3)C[C@H]2c2ccccc21 ZINC001176839782 840302570 /nfs/dbraw/zinc/30/25/70/840302570.db2.gz CGBFUUWXHUZKAA-CMPLNLGQSA-N -1 0 362.415 -0.236 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)Cc3nnn[n-]3)CCO[C@@H]2C1 ZINC001176839846 840302507 /nfs/dbraw/zinc/30/25/07/840302507.db2.gz FEQDKBFISOIEBV-WDEREUQCSA-N -1 0 352.395 -0.164 20 0 FBADRM CC(C)C(=O)N[C@@H]1COCCC12CCN(C(=O)Cc1nnn[n-]1)CC2 ZINC001176839971 840302321 /nfs/dbraw/zinc/30/23/21/840302321.db2.gz FJXVVTXGVHSGFP-GFCCVEGCSA-N -1 0 350.423 -0.088 20 0 FBADRM CC(C)C(=O)N[C@H]1COCCC12CCN(C(=O)Cc1nnn[n-]1)CC2 ZINC001176839972 840302623 /nfs/dbraw/zinc/30/26/23/840302623.db2.gz FJXVVTXGVHSGFP-LBPRGKRZSA-N -1 0 350.423 -0.088 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3nnn[n-]3)CC2)cc1 ZINC001176840122 840302693 /nfs/dbraw/zinc/30/26/93/840302693.db2.gz HEIAUCDPYGGOIS-UHFFFAOYSA-N -1 0 350.404 -0.416 20 0 FBADRM CN(C)C(=O)NC[C@H]1CCC[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)O1 ZINC001176840834 840302407 /nfs/dbraw/zinc/30/24/07/840302407.db2.gz XNDLQQBMCKEDSC-IAQYHMDHSA-N -1 0 351.411 -0.446 20 0 FBADRM O=C(Cc1nnn[n-]1)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001176840840 840302363 /nfs/dbraw/zinc/30/23/63/840302363.db2.gz XOVPKYHUKLIYCU-UTUOFQBUSA-N -1 0 350.379 -0.983 20 0 FBADRM CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)Cc1nnn[n-]1)CC2 ZINC001176841391 840303411 /nfs/dbraw/zinc/30/34/11/840303411.db2.gz YHCDFAMNJLJOAY-GFCCVEGCSA-N -1 0 350.423 -0.134 20 0 FBADRM CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)Cc1nnn[n-]1)CC2 ZINC001176841392 840304186 /nfs/dbraw/zinc/30/41/86/840304186.db2.gz YHCDFAMNJLJOAY-LBPRGKRZSA-N -1 0 350.423 -0.134 20 0 FBADRM O=C(Cc1nnn[n-]1)N1C[C@H](NC(=O)c2cscn2)[C@@H]2OCCC[C@@H]21 ZINC001176841394 840304612 /nfs/dbraw/zinc/30/46/12/840304612.db2.gz YLLKLGXCFICXRU-FWDPORAESA-N -1 0 363.403 -0.613 20 0 FBADRM COC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(C(=O)Cc2nnn[n-]2)C1 ZINC001176843017 840303795 /nfs/dbraw/zinc/30/37/95/840303795.db2.gz ZCDCKKQZWZZISK-AWEZNQCLSA-N -1 0 354.367 -0.589 20 0 FBADRM COC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(C(=O)Cc2nnn[n-]2)C1 ZINC001176843018 840304430 /nfs/dbraw/zinc/30/44/30/840304430.db2.gz ZCDCKKQZWZZISK-CQSZACIVSA-N -1 0 354.367 -0.589 20 0 FBADRM CC(C)(C)OC(=O)NCCOCCOCCNC(=O)Cc1nnn[n-]1 ZINC001176844507 840304473 /nfs/dbraw/zinc/30/44/73/840304473.db2.gz AYWRSLNHCGNIBK-UHFFFAOYSA-N -1 0 358.399 -0.584 20 0 FBADRM O=C(Cc1nnn[n-]1)NC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001176844639 840306293 /nfs/dbraw/zinc/30/62/93/840306293.db2.gz DBQHBIDCIFWDFL-UHFFFAOYSA-N -1 0 350.404 -0.288 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(CNC(=O)Cc2nnn[n-]2)C1 ZINC001176844693 840306199 /nfs/dbraw/zinc/30/61/99/840306199.db2.gz GFKUEJHCEZUAEA-ZUZCIYMTSA-N -1 0 352.395 -0.258 20 0 FBADRM COc1ccc(C[C@@H](C)NC(=O)Cc2nnn[n-]2)cc1S(N)(=O)=O ZINC001176845000 840305851 /nfs/dbraw/zinc/30/58/51/840305851.db2.gz IVQRAANRDVVPBG-MRVPVSSYSA-N -1 0 354.392 -0.854 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@H]2C[C@H](CNC(=O)Cc3nnn[n-]3)O[C@H]2C1 ZINC001176845055 840305036 /nfs/dbraw/zinc/30/50/36/840305036.db2.gz OBYHUHGSBCWXLT-MXWKQRLJSA-N -1 0 352.395 -0.117 20 0 FBADRM CC(C)(C)OC(=O)N1CC2(C1)CO[C@H](CNC(=O)Cc1nnn[n-]1)C2 ZINC001176845525 840306239 /nfs/dbraw/zinc/30/62/39/840306239.db2.gz UTBYFHDPTCPLCW-JTQLQIEISA-N -1 0 352.395 -0.116 20 0 FBADRM CC(C)(C)OC(=O)N1CC2(C1)CO[C@@H](CNC(=O)Cc1nnn[n-]1)C2 ZINC001176845532 840305309 /nfs/dbraw/zinc/30/53/09/840305309.db2.gz UTBYFHDPTCPLCW-SNVBAGLBSA-N -1 0 352.395 -0.116 20 0 FBADRM COC(=O)[C@@H]1C[C@@H](NC(=O)Cc2nnn[n-]2)CN1C(=O)OC(C)(C)C ZINC001176846004 840305404 /nfs/dbraw/zinc/30/54/04/840305404.db2.gz WGGLZSLIRQCFPX-BDAKNGLRSA-N -1 0 354.367 -0.591 20 0 FBADRM O=C(Cc1nnn[n-]1)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001176846008 840305455 /nfs/dbraw/zinc/30/54/55/840305455.db2.gz WPMHGXUQCCJXJK-UHFFFAOYSA-N -1 0 366.403 -0.921 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N2CC(OC)(c3cnnn3C)C2)co1 ZINC001176846852 840305763 /nfs/dbraw/zinc/30/57/63/840305763.db2.gz YMCIHPRQGRMBCG-UHFFFAOYSA-N -1 0 355.376 -0.686 20 0 FBADRM COC(=O)[C@H](Cc1ccc(Br)cn1)NC(=O)Cc1nnn[n-]1 ZINC001176847024 840305620 /nfs/dbraw/zinc/30/56/20/840305620.db2.gz FIENTVZBVCYRTK-VIFPVBQESA-N -1 0 369.179 -0.200 20 0 FBADRM O=C(Cc1nnn[n-]1)NC1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001176847066 840305562 /nfs/dbraw/zinc/30/55/62/840305562.db2.gz GNJIZCMWFUBPLO-UHFFFAOYSA-N -1 0 351.392 -0.893 20 0 FBADRM O=C(Cc1nnn[n-]1)NCc1ccc(N2CCCCS2(=O)=O)cc1 ZINC001176847111 840305784 /nfs/dbraw/zinc/30/57/84/840305784.db2.gz IOHYPGYLBXMEJW-UHFFFAOYSA-N -1 0 350.404 -0.011 20 0 FBADRM O=C(Cc1nnn[n-]1)NC1(Cc2cccnc2)CCS(=O)(=O)CC1 ZINC001176847112 840304879 /nfs/dbraw/zinc/30/48/79/840304879.db2.gz IPQLMFKOAODTHO-UHFFFAOYSA-N -1 0 350.404 -0.557 20 0 FBADRM COC(=O)[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)Cc1nnn[n-]1 ZINC001176847239 840305949 /nfs/dbraw/zinc/30/59/49/840305949.db2.gz NDYFWJJLGHAARH-VIFPVBQESA-N -1 0 356.383 -0.295 20 0 FBADRM CCOC(=O)C1(NC(=O)Cc2nnn[n-]2)CN(C(=O)OC(C)(C)C)C1 ZINC001176847262 840304987 /nfs/dbraw/zinc/30/49/87/840304987.db2.gz NZAHCALCGNHVGN-UHFFFAOYSA-N -1 0 354.367 -0.589 20 0 FBADRM CC(C)C[C@H](NC(=O)Cc1nnn[n-]1)C(=O)NCC(=O)OC(C)(C)C ZINC001176849317 840306025 /nfs/dbraw/zinc/30/60/25/840306025.db2.gz PZHQYSKLFLWKBT-JTQLQIEISA-N -1 0 354.411 -0.269 20 0 FBADRM N=C(NC(=O)Cc1ccc(-n2cnnn2)cc1)SCCS(=O)(=O)[O-] ZINC001176868264 840304746 /nfs/dbraw/zinc/30/47/46/840304746.db2.gz DWBZOWSBAFVDEO-UHFFFAOYSA-N -1 0 370.416 -0.123 20 0 FBADRM C[C@H]1[C@H](NC(=O)CCCNC(=O)c2cccnc2)C(=O)N1S(=O)(=O)[O-] ZINC001176893094 840305367 /nfs/dbraw/zinc/30/53/67/840305367.db2.gz VOWDGHYFFOLKRD-CABZTGNLSA-N -1 0 370.387 -0.890 20 0 FBADRM Cc1nnc(SCC(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)s1 ZINC001176926762 840304931 /nfs/dbraw/zinc/30/49/31/840304931.db2.gz OPUDEUADXMOLMT-FFWSUHOLSA-N -1 0 352.419 -0.543 20 0 FBADRM Cc1cc(C(F)(F)F)nn1CC(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001176950583 840307196 /nfs/dbraw/zinc/30/71/96/840307196.db2.gz KSYXTXJONJWGQZ-RCOVLWMOSA-N -1 0 370.309 -0.271 20 0 FBADRM O=C(CN1CCN(c2ncccn2)CC1)NCCCC[P@](=O)([O-])O ZINC001176985317 840307121 /nfs/dbraw/zinc/30/71/21/840307121.db2.gz VKWOAKYCOSPDNN-UHFFFAOYSA-N -1 0 357.351 -0.327 20 0 FBADRM C[C@H]1[C@H](NC(=O)Cn2cc(Br)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001176996275 840306898 /nfs/dbraw/zinc/30/68/98/840306898.db2.gz BEKBITCWFAHNJP-XNCJUZBTSA-N -1 0 367.181 -0.836 20 0 FBADRM Cc1cc(C(F)F)n(CC(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001177005408 840307106 /nfs/dbraw/zinc/30/71/06/840307106.db2.gz YDEBIFSPUOUYAV-RCOVLWMOSA-N -1 0 352.319 -0.353 20 0 FBADRM Cc1n[nH]c(C)c1CCC(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001177033279 840308048 /nfs/dbraw/zinc/30/80/48/840308048.db2.gz SHGRVNRPPMDORH-UHFFFAOYSA-N -1 0 371.379 -0.678 20 0 FBADRM CC(C)(C)OC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001177088749 840308729 /nfs/dbraw/zinc/30/87/29/840308729.db2.gz PZWRPASDFXOZGZ-SECBINFHSA-N -1 0 351.367 -0.014 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001177088750 840307739 /nfs/dbraw/zinc/30/77/39/840307739.db2.gz PZWRPASDFXOZGZ-VIFPVBQESA-N -1 0 351.367 -0.014 20 0 FBADRM C[C@H]1[C@H](NC(=O)C2CCN(c3ncccn3)CC2)C(=O)N1S(=O)(=O)[O-] ZINC001177130463 840307906 /nfs/dbraw/zinc/30/79/06/840307906.db2.gz ZRTVELFYRDPIEH-ONGXEEELSA-N -1 0 369.403 -0.789 20 0 FBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001177140850 840311110 /nfs/dbraw/zinc/31/11/10/840311110.db2.gz WTZNRKMNHMKLJU-PSASIEDQSA-N -1 0 364.383 -0.057 20 0 FBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001177140851 840310111 /nfs/dbraw/zinc/31/01/11/840310111.db2.gz WTZNRKMNHMKLJU-SCZZXKLOSA-N -1 0 364.383 -0.057 20 0 FBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001177140852 840311048 /nfs/dbraw/zinc/31/10/48/840311048.db2.gz WTZNRKMNHMKLJU-WCBMZHEXSA-N -1 0 364.383 -0.057 20 0 FBADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001177140853 840310392 /nfs/dbraw/zinc/31/03/92/840310392.db2.gz WTZNRKMNHMKLJU-WPRPVWTQSA-N -1 0 364.383 -0.057 20 0 FBADRM Cc1ccc(CC(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cn1 ZINC001177246906 840311299 /nfs/dbraw/zinc/31/12/99/840311299.db2.gz UAALPWOJBJOLQX-UHFFFAOYSA-N -1 0 354.348 -0.705 20 0 FBADRM COc1ccc(OC)c([C@H](O)[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001177259419 840311432 /nfs/dbraw/zinc/31/14/32/840311432.db2.gz MKUFKGNHUHGGAK-AMIZOPFISA-N -1 0 352.347 -0.055 20 0 FBADRM COc1ccc(OC)c([C@H](O)[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001177259420 840311251 /nfs/dbraw/zinc/31/12/51/840311251.db2.gz MKUFKGNHUHGGAK-ISVAXAHUSA-N -1 0 352.347 -0.055 20 0 FBADRM COc1ccc(OC)c([C@@H](O)[C@@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001177259421 840312130 /nfs/dbraw/zinc/31/21/30/840312130.db2.gz MKUFKGNHUHGGAK-OQPBUACISA-N -1 0 352.347 -0.055 20 0 FBADRM COc1ccc(OC)c([C@@H](O)[C@H](C)NC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001177259422 840311703 /nfs/dbraw/zinc/31/17/03/840311703.db2.gz MKUFKGNHUHGGAK-SDBXPKJASA-N -1 0 352.347 -0.055 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC(CO)(CO)CC2)c1 ZINC001177265655 840312508 /nfs/dbraw/zinc/31/25/08/840312508.db2.gz NYKQMPJXVJZVRS-UHFFFAOYSA-N -1 0 372.443 -0.151 20 0 FBADRM Cc1nc(CC(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)c(C)s1 ZINC001177268084 840315014 /nfs/dbraw/zinc/31/50/14/840315014.db2.gz PLDHZPXISOHOCZ-UHFFFAOYSA-N -1 0 374.404 -0.335 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001177294313 840313119 /nfs/dbraw/zinc/31/31/19/840313119.db2.gz WWFKCQYPMNDRSY-OWUUHHOZSA-N -1 0 353.379 -0.082 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@@H]2CC(=O)N(c3nccs3)C2)C(=O)N1S(=O)(=O)[O-] ZINC001177335445 840314872 /nfs/dbraw/zinc/31/48/72/840314872.db2.gz PCCXAKHXJSXGKM-OOZYFLPDSA-N -1 0 374.400 -0.986 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@H]2CC(=O)N(c3nccs3)C2)C(=O)N1S(=O)(=O)[O-] ZINC001177335450 840314265 /nfs/dbraw/zinc/31/42/65/840314265.db2.gz PCCXAKHXJSXGKM-ZKWXMUAHSA-N -1 0 374.400 -0.986 20 0 FBADRM CN1CCN(C2CN(C(=O)CSc3n[n-]c(=S)s3)C2)CC1=O ZINC001177341481 840314076 /nfs/dbraw/zinc/31/40/76/840314076.db2.gz CNQCOAKGYXVMDR-UHFFFAOYSA-N -1 0 359.502 -0.096 20 0 FBADRM COC(=O)CC[C@H](NC(=O)CSc1n[n-]c(=S)s1)C(N)=O ZINC001177346727 840315426 /nfs/dbraw/zinc/31/54/26/840315426.db2.gz BRCUWBKWVSGITG-YFKPBYRVSA-N -1 0 350.447 -0.158 20 0 FBADRM O=C(CSc1n[n-]c(=S)s1)NCCOCCN1C(=O)C=CC1=O ZINC001177347355 840315551 /nfs/dbraw/zinc/31/55/51/840315551.db2.gz SGACUAZCQMMXSI-UHFFFAOYSA-N -1 0 374.469 -0.023 20 0 FBADRM COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)c1ccn(C)c1CC(=O)[O-] ZINC001177364481 840315617 /nfs/dbraw/zinc/31/56/17/840315617.db2.gz AMIGVMJTTZKGFP-GWCFXTLKSA-N -1 0 370.383 -0.118 20 0 FBADRM COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)c1ccn(C)c1CC(=O)[O-] ZINC001177364482 840316189 /nfs/dbraw/zinc/31/61/89/840316189.db2.gz AMIGVMJTTZKGFP-GXFFZTMASA-N -1 0 370.383 -0.118 20 0 FBADRM COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)c1ccn(C)c1CC(=O)[O-] ZINC001177364483 840316222 /nfs/dbraw/zinc/31/62/22/840316222.db2.gz AMIGVMJTTZKGFP-MFKMUULPSA-N -1 0 370.383 -0.118 20 0 FBADRM COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)c1ccn(C)c1CC(=O)[O-] ZINC001177364484 840315511 /nfs/dbraw/zinc/31/55/11/840315511.db2.gz AMIGVMJTTZKGFP-ZWNOBZJWSA-N -1 0 370.383 -0.118 20 0 FBADRM Cn1ccc(C(=O)N2CCN(CCCS(C)(=O)=O)CC2)c1CC(=O)[O-] ZINC001177364866 840315675 /nfs/dbraw/zinc/31/56/75/840315675.db2.gz MJQFTAZNJXYQCM-UHFFFAOYSA-N -1 0 371.459 -0.155 20 0 FBADRM CC(C)NC(=O)CN1CCN(C(=O)c2ccn(C)c2CC(=O)[O-])CC1 ZINC001177365091 840316347 /nfs/dbraw/zinc/31/63/47/840316347.db2.gz ORKDLRVUISWJTF-UHFFFAOYSA-N -1 0 350.419 -0.065 20 0 FBADRM CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccn(C)c1CC(=O)[O-] ZINC001177365134 840315960 /nfs/dbraw/zinc/31/59/60/840315960.db2.gz YZZJLGSIGVJZAV-GFCCVEGCSA-N -1 0 351.359 -0.454 20 0 FBADRM CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccn(C)c1CC(=O)[O-] ZINC001177365139 840315690 /nfs/dbraw/zinc/31/56/90/840315690.db2.gz YZZJLGSIGVJZAV-LBPRGKRZSA-N -1 0 351.359 -0.454 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)c2ccn(C)c2CC(=O)[O-])CCN1C(C)=O ZINC001177365629 840316205 /nfs/dbraw/zinc/31/62/05/840316205.db2.gz VJVZNELMMFFYDY-CYBMUJFWSA-N -1 0 351.359 -0.502 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)c2ccn(C)c2CC(=O)[O-])CCN1C(C)=O ZINC001177365630 840316337 /nfs/dbraw/zinc/31/63/37/840316337.db2.gz VJVZNELMMFFYDY-ZDUSSCGKSA-N -1 0 351.359 -0.502 20 0 FBADRM Cn1ccc(C(=O)NCCCN2CCS(=O)(=O)CC2)c1CC(=O)[O-] ZINC001177369362 840314289 /nfs/dbraw/zinc/31/42/89/840314289.db2.gz NKIBQZHWJKWTQR-UHFFFAOYSA-N -1 0 357.432 -0.498 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)Cc1cncc(F)c1 ZINC001177382608 840315705 /nfs/dbraw/zinc/31/57/05/840315705.db2.gz KXENGVBUBJVGTJ-UHFFFAOYSA-N -1 0 358.311 -0.874 20 0 FBADRM O=C(N[C@@H](Cc1ccccc1)C(=O)NCS(=O)(=O)[O-])c1cnccn1 ZINC001177395993 840315979 /nfs/dbraw/zinc/31/59/79/840315979.db2.gz DGCSXUWSJJNLQL-LBPRGKRZSA-N -1 0 364.383 -0.221 20 0 FBADRM Cc1nnc(CC(=O)Nc2ccc(CC(=O)[N-]S(C)(=O)=O)cc2)[nH]1 ZINC001177439785 840317031 /nfs/dbraw/zinc/31/70/31/840317031.db2.gz HMAKVHRFEAALQP-UHFFFAOYSA-N -1 0 351.388 -0.087 20 0 FBADRM N=C(NC(=O)CCC(=O)Nc1nncs1)SCCS(=O)(=O)[O-] ZINC001177450850 840315582 /nfs/dbraw/zinc/31/55/82/840315582.db2.gz CNRHQEITERYICP-UHFFFAOYSA-N -1 0 367.434 -0.071 20 0 FBADRM Cc1cccnc1CC(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001177452686 840316372 /nfs/dbraw/zinc/31/63/72/840316372.db2.gz CMGYZSOBNNZQNM-UHFFFAOYSA-N -1 0 354.348 -0.705 20 0 FBADRM C[C@H]1[C@H](NC(=O)CSc2cncc(Cl)n2)C(=O)N1S(=O)(=O)[O-] ZINC001177470200 840316675 /nfs/dbraw/zinc/31/66/75/840316675.db2.gz PFADZDZCTDSTHF-CDUCUWFYSA-N -1 0 366.808 -0.260 20 0 FBADRM C[C@H]1[C@H](NC(=O)Cc2c(F)c(F)nc(F)c2F)C(=O)N1S(=O)(=O)[O-] ZINC001177481794 840317333 /nfs/dbraw/zinc/31/73/33/840317333.db2.gz HKDHMHPATVBCJL-SUZIUWRMSA-N -1 0 371.268 -0.301 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)/C=C/c1nccs1 ZINC001177518842 840318885 /nfs/dbraw/zinc/31/88/85/840318885.db2.gz MLECMAWSMMHDAQ-TWWAHOQESA-N -1 0 358.361 -0.481 20 0 FBADRM Cc1c[nH]c(C)c1CCC(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001177582891 840319130 /nfs/dbraw/zinc/31/91/30/840319130.db2.gz RJJZZLZBFLOWLO-UHFFFAOYSA-N -1 0 370.391 -0.073 20 0 FBADRM Cc1[nH]c(=S)sc1CC(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001177601893 840320008 /nfs/dbraw/zinc/32/00/08/840320008.db2.gz JTFIIUHKCUJLKW-XNCJUZBTSA-N -1 0 351.431 -0.199 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)C1(c2ccncc2)CC1 ZINC001177605827 840319243 /nfs/dbraw/zinc/31/92/43/840319243.db2.gz NKHPLIATTASCIN-UHFFFAOYSA-N -1 0 366.359 -0.524 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@@H]2CCCN2Cc2ccco2)C(=O)N1S(=O)(=O)[O-] ZINC001177629822 840319090 /nfs/dbraw/zinc/31/90/90/840319090.db2.gz XBOHZDXKQFGEIZ-DLOVCJGASA-N -1 0 357.388 -0.238 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@H]2CCCN2Cc2ccco2)C(=O)N1S(=O)(=O)[O-] ZINC001177629823 840319521 /nfs/dbraw/zinc/31/95/21/840319521.db2.gz XBOHZDXKQFGEIZ-WCQGTBRESA-N -1 0 357.388 -0.238 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)Cc1cc(Cl)ccn1 ZINC001177653141 840320725 /nfs/dbraw/zinc/32/07/25/840320725.db2.gz SSIBXQSKUNELPO-UHFFFAOYSA-N -1 0 374.766 -0.360 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001177692874 840320586 /nfs/dbraw/zinc/32/05/86/840320586.db2.gz JMVITISBWVQMJG-LLVKDONJSA-N -1 0 367.427 -0.229 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CC2(C1)C[C@H](O)CNC2=O ZINC001177692875 840320564 /nfs/dbraw/zinc/32/05/64/840320564.db2.gz JMVITISBWVQMJG-NSHDSACASA-N -1 0 367.427 -0.229 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H](Cn1cccn1)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001177705273 840320814 /nfs/dbraw/zinc/32/08/14/840320814.db2.gz LXLLKMYIEUMDMU-VIFPVBQESA-N -1 0 351.367 -0.084 20 0 FBADRM CCOC(=O)c1snc(C(N)=O)c1NC(=O)Cn1nn[n-]c1=S ZINC001177735179 840321768 /nfs/dbraw/zinc/32/17/68/840321768.db2.gz BCNMTZWQAYQGNO-UHFFFAOYSA-N -1 0 357.377 -0.667 20 0 FBADRM O=C(Cn1nn[n-]c1=S)Nc1ncnn2c(Br)ccc12 ZINC001177735572 840321259 /nfs/dbraw/zinc/32/12/59/840321259.db2.gz JPGXEUKPNQHEEB-UHFFFAOYSA-N -1 0 355.181 -0.172 20 0 FBADRM COC(=O)c1nc(Br)cnc1NC(=O)Cn1nn[n-]c1=S ZINC001177735847 840321124 /nfs/dbraw/zinc/32/11/24/840321124.db2.gz QSXKPGFSIGRYOR-UHFFFAOYSA-N -1 0 374.180 -0.060 20 0 FBADRM CC(=O)N1CCC(n2nccc2NC(=O)Cn2nn[n-]c2=S)CC1 ZINC001177736126 840321323 /nfs/dbraw/zinc/32/13/23/840321323.db2.gz ANKWEGDOGAZRBU-UHFFFAOYSA-N -1 0 350.408 -0.020 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001177736203 840322179 /nfs/dbraw/zinc/32/21/79/840322179.db2.gz DZJLFDHNTZAGED-WDMOLILDSA-N -1 0 366.447 -0.410 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001177736417 840321381 /nfs/dbraw/zinc/32/13/81/840321381.db2.gz NRBVISMCRDJMGV-QJPTWQEYSA-N -1 0 366.447 -0.410 20 0 FBADRM CCOC(=O)c1cc2n(n1)CCCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001177736431 840321525 /nfs/dbraw/zinc/32/15/25/840321525.db2.gz OBSTXFIGCDGZIS-UHFFFAOYSA-N -1 0 351.392 -0.233 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001177737698 840322206 /nfs/dbraw/zinc/32/22/06/840322206.db2.gz AOCRNXCFIGOKCU-UHFFFAOYSA-N -1 0 359.419 -0.512 20 0 FBADRM CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)Cn4nn[n-]c4=S)C[C@@H]32)C1=O ZINC001177737778 840321366 /nfs/dbraw/zinc/32/13/66/840321366.db2.gz BXCYUKVCSHGSSF-JRPNMDOOSA-N -1 0 363.447 -0.151 20 0 FBADRM Cc1ccc(N2CCO[C@H]3CN(C(=O)Cn4nn[n-]c4=S)C[C@H]32)nn1 ZINC001177737780 840321189 /nfs/dbraw/zinc/32/11/89/840321189.db2.gz BXSCOYKNJNOWQS-MNOVXSKESA-N -1 0 362.419 -0.824 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001177737966 840321850 /nfs/dbraw/zinc/32/18/50/840321850.db2.gz DDLMUVIZQZWBQQ-NWDGAFQWSA-N -1 0 359.415 -0.241 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001177737968 840322093 /nfs/dbraw/zinc/32/20/93/840322093.db2.gz DDLMUVIZQZWBQQ-VXGBXAGGSA-N -1 0 359.415 -0.241 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001177738046 840321296 /nfs/dbraw/zinc/32/12/96/840321296.db2.gz FLINCQKHFDKUGB-UHFFFAOYSA-N -1 0 360.407 -0.769 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001177738048 840322040 /nfs/dbraw/zinc/32/20/40/840322040.db2.gz FMWYLXXRUJWRDC-UHFFFAOYSA-N -1 0 360.407 -0.769 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001177738167 840321269 /nfs/dbraw/zinc/32/12/69/840321269.db2.gz HUEXQGYYGQXSDS-UTUOFQBUSA-N -1 0 366.447 -0.267 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001177738388 840321636 /nfs/dbraw/zinc/32/16/36/840321636.db2.gz IJOGNQUNSOFDQD-LLVKDONJSA-N -1 0 359.419 -0.286 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001177738390 840322192 /nfs/dbraw/zinc/32/21/92/840322192.db2.gz IJOGNQUNSOFDQD-NSHDSACASA-N -1 0 359.419 -0.286 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cn2nn[n-]c2=S)CC12COC2 ZINC001177738490 840321413 /nfs/dbraw/zinc/32/14/13/840321413.db2.gz DRFQKLIBIVVBJP-SECBINFHSA-N -1 0 370.435 -0.286 20 0 FBADRM CC(C)(C)OC(=O)N[C@H]1CN(C(=O)Cn2nn[n-]c2=S)CC12COC2 ZINC001177738491 840321156 /nfs/dbraw/zinc/32/11/56/840321156.db2.gz DRFQKLIBIVVBJP-VIFPVBQESA-N -1 0 370.435 -0.286 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001177738653 840322108 /nfs/dbraw/zinc/32/21/08/840322108.db2.gz KQNKAYJYYDJSDC-UHFFFAOYSA-N -1 0 359.419 -0.512 20 0 FBADRM COc1ccnc(OC2CCN(C(=O)Cn3nn[n-]c3=S)CC2)n1 ZINC001177738656 840322067 /nfs/dbraw/zinc/32/20/67/840322067.db2.gz GPPYROMDWLRJCW-UHFFFAOYSA-N -1 0 351.392 -0.170 20 0 FBADRM CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)Cn3nn[n-]c3=S)C[C@@H]21 ZINC001177738657 840321226 /nfs/dbraw/zinc/32/12/26/840321226.db2.gz KSDZYTUPHVMBGR-GARJFASQSA-N -1 0 369.451 -0.904 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001177738663 840321243 /nfs/dbraw/zinc/32/12/43/840321243.db2.gz KXMORFDTVWUYQT-IAQYHMDHSA-N -1 0 366.447 -0.504 20 0 FBADRM CC(C)N(C)Cc1nnc2n1CCCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001177738682 840321956 /nfs/dbraw/zinc/32/19/56/840321956.db2.gz LJDVNCJAIQALAB-UHFFFAOYSA-N -1 0 365.467 -0.174 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001177738685 840321869 /nfs/dbraw/zinc/32/18/69/840321869.db2.gz LKQLZHRXJXJXJG-GMTAPVOTSA-N -1 0 352.420 -0.896 20 0 FBADRM CO[C@@H]1CN(C(=O)Cn2nn[n-]c2=S)C[C@@H]1NC(=O)OC(C)(C)C ZINC001177738690 840321176 /nfs/dbraw/zinc/32/11/76/840321176.db2.gz GZQDGQSDMOTTMJ-DTWKUNHWSA-N -1 0 358.424 -0.288 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001177739094 840321688 /nfs/dbraw/zinc/32/16/88/840321688.db2.gz OSUKBXGLIVMCCS-GMTAPVOTSA-N -1 0 368.419 -0.726 20 0 FBADRM CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)Cn2nn[n-]c2=S)CCO1 ZINC001177739102 840321507 /nfs/dbraw/zinc/32/15/07/840321507.db2.gz OYRUENUYFOORID-VIFPVBQESA-N -1 0 358.424 -0.286 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)Cn2nn[n-]c2=S)C[C@H]1O ZINC001177739321 840321280 /nfs/dbraw/zinc/32/12/80/840321280.db2.gz PUSBKSLVVOQBQA-RKDXNWHRSA-N -1 0 358.424 -0.552 20 0 FBADRM CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)Cn2nn[n-]c2=S)C1 ZINC001177739369 840321825 /nfs/dbraw/zinc/32/18/25/840321825.db2.gz NTUAFVJOOQFLMU-VHSXEESVSA-N -1 0 365.419 -0.059 20 0 FBADRM CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)Cn3nn[n-]c3=S)C[C@@H]21 ZINC001177739463 840321201 /nfs/dbraw/zinc/32/12/01/840321201.db2.gz SDODLUUBXMNGTQ-GMTAPVOTSA-N -1 0 354.436 -0.696 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001177739542 840321214 /nfs/dbraw/zinc/32/12/14/840321214.db2.gz SRAUPCUKZNMJKE-YNEHKIRRSA-N -1 0 362.415 -0.201 20 0 FBADRM CC(=O)NCc1ncn2c1CN(C(=O)Cn1nn[n-]c1=S)CCC2 ZINC001177739588 840322165 /nfs/dbraw/zinc/32/21/65/840322165.db2.gz UGQJSZMSUBIJBT-UHFFFAOYSA-N -1 0 350.408 -0.773 20 0 FBADRM CC(C)CC(=O)NC[C@]12COC[C@H]1CN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001177739593 840321336 /nfs/dbraw/zinc/32/13/36/840321336.db2.gz UHZYGCDIVNMDHU-ABAIWWIYSA-N -1 0 368.463 -0.401 20 0 FBADRM CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)C1 ZINC001177739686 840322859 /nfs/dbraw/zinc/32/28/59/840322859.db2.gz VLUSVXBWNAZZRE-QMTHXVAHSA-N -1 0 369.451 -0.617 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001177739714 840323172 /nfs/dbraw/zinc/32/31/72/840323172.db2.gz QYASIHUSCRAMIF-UHFFFAOYSA-N -1 0 360.465 -0.622 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001177739801 840322769 /nfs/dbraw/zinc/32/27/69/840322769.db2.gz WKHLZGYGLLWYLV-MXWKQRLJSA-N -1 0 352.420 -0.754 20 0 FBADRM CCN1C[C@H]2CCN(C(=O)Cn3nn[n-]c3=S)CC[C@H]2S1(=O)=O ZINC001177739825 840323054 /nfs/dbraw/zinc/32/30/54/840323054.db2.gz WVWUQOXXYILDIJ-NXEZZACHSA-N -1 0 360.465 -0.766 20 0 FBADRM Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)Cn2nn[n-]c2=S)cn1 ZINC001177739881 840322874 /nfs/dbraw/zinc/32/28/74/840322874.db2.gz XMYZPQJQIZIUDB-MNOVXSKESA-N -1 0 362.419 -0.789 20 0 FBADRM CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)Cn3nn[n-]c3=S)[C@@H]2C1 ZINC001177739882 840323353 /nfs/dbraw/zinc/32/33/53/840323353.db2.gz XNPCWALLPLECQK-HBNTYKKESA-N -1 0 354.436 -0.508 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001177739891 840322889 /nfs/dbraw/zinc/32/28/89/840322889.db2.gz UPCLHRJYHYGGFR-UHFFFAOYSA-N -1 0 360.447 -0.610 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001177739924 840323216 /nfs/dbraw/zinc/32/32/16/840323216.db2.gz YHNSXAHGNQZDBG-UHFFFAOYSA-N -1 0 359.419 -0.164 20 0 FBADRM Cn1cc(N2C[C@@]3(CCN(C(=O)Cn4nn[n-]c4=S)C3)CC2=O)cn1 ZINC001177740042 840323326 /nfs/dbraw/zinc/32/33/26/840323326.db2.gz ZLHDPSDVVDKAJR-AWEZNQCLSA-N -1 0 362.419 -0.649 20 0 FBADRM Cn1cc(N2C[C@]3(CCN(C(=O)Cn4nn[n-]c4=S)C3)CC2=O)cn1 ZINC001177740047 840323270 /nfs/dbraw/zinc/32/32/70/840323270.db2.gz ZLHDPSDVVDKAJR-CQSZACIVSA-N -1 0 362.419 -0.649 20 0 FBADRM CCOC(=O)c1cnc2n1CCN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001177740131 840323228 /nfs/dbraw/zinc/32/32/28/840323228.db2.gz YMCSVTROXGZWMB-UHFFFAOYSA-N -1 0 351.392 -0.580 20 0 FBADRM COc1ccc(C(=O)N2CCN(C(=O)Cn3nn[n-]c3=S)CC2)cc1 ZINC001177740202 840322531 /nfs/dbraw/zinc/32/25/31/840322531.db2.gz ZUIXPGQQDVXSNT-UHFFFAOYSA-N -1 0 362.415 -0.045 20 0 FBADRM CNS(=O)(=O)CCc1ccc(NC(=O)Cn2nn[n-]c2=S)cc1 ZINC001177740900 840322792 /nfs/dbraw/zinc/32/27/92/840322792.db2.gz JXYTVYRXVQTXLW-UHFFFAOYSA-N -1 0 356.433 -0.308 20 0 FBADRM O=C(Cn1nn[n-]c1=S)Nc1ccc(S(=O)(=O)CCCO)cc1 ZINC001177741013 840323201 /nfs/dbraw/zinc/32/32/01/840323201.db2.gz OXZRPXBQWNRFQX-UHFFFAOYSA-N -1 0 357.417 -0.243 20 0 FBADRM CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)Cn1nn[n-]c1=S ZINC001177742028 840322981 /nfs/dbraw/zinc/32/29/81/840322981.db2.gz DAOLJTICVRTGQO-SECBINFHSA-N -1 0 358.424 -0.286 20 0 FBADRM CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)Cn1nn[n-]c1=S ZINC001177742030 840322342 /nfs/dbraw/zinc/32/23/42/840322342.db2.gz DAOLJTICVRTGQO-VIFPVBQESA-N -1 0 358.424 -0.286 20 0 FBADRM CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)Cn2nn[n-]c2=S)C1 ZINC001177742751 840322741 /nfs/dbraw/zinc/32/27/41/840322741.db2.gz FKMGUNOKVQCDLO-UHFFFAOYSA-N -1 0 358.424 -0.550 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC1 ZINC001177742907 840323313 /nfs/dbraw/zinc/32/33/13/840323313.db2.gz JAAHURIMAMTWFQ-DCAQKATOSA-N -1 0 354.436 -0.316 20 0 FBADRM COC(=O)[C@H](COCc1ccccc1)NC(=O)Cn1nn[n-]c1=S ZINC001177743126 840323024 /nfs/dbraw/zinc/32/30/24/840323024.db2.gz KMCBTTYZNOLWRT-NSHDSACASA-N -1 0 351.388 -0.164 20 0 FBADRM Cn1c(=O)cc(NC(=O)Cn2nn[n-]c2=S)n(-c2ccccc2)c1=O ZINC001177743605 840322995 /nfs/dbraw/zinc/32/29/95/840322995.db2.gz MTYPRLSKXQTOIQ-UHFFFAOYSA-N -1 0 359.371 -0.550 20 0 FBADRM CCCn1c(=O)cc(NC(=O)Cn2nn[n-]c2=S)n(CCC)c1=O ZINC001177743950 840322656 /nfs/dbraw/zinc/32/26/56/840322656.db2.gz OROFDVQNCNLBEU-UHFFFAOYSA-N -1 0 353.408 -0.256 20 0 FBADRM COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)Cn1nn[n-]c1=S)C2 ZINC001177744401 840322572 /nfs/dbraw/zinc/32/25/72/840322572.db2.gz VPYLQQRZMYFBHD-LLVKDONJSA-N -1 0 364.431 -0.556 20 0 FBADRM COCCn1c(=O)ccc2c1CC[C@H](NC(=O)Cn1nn[n-]c1=S)C2 ZINC001177744402 840323012 /nfs/dbraw/zinc/32/30/12/840323012.db2.gz VPYLQQRZMYFBHD-NSHDSACASA-N -1 0 364.431 -0.556 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](NC(=O)Cn3nn[n-]c3=S)CO[C@@H]2C1 ZINC001177744427 840323337 /nfs/dbraw/zinc/32/33/37/840323337.db2.gz WWPSJZNSPRTKQV-KXUCPTDWSA-N -1 0 370.435 -0.288 20 0 FBADRM C[C@H](NC(=O)Cn1nn[n-]c1=S)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001177746141 840323242 /nfs/dbraw/zinc/32/32/42/840323242.db2.gz SFIICVRULBLJCM-YUMQZZPRSA-N -1 0 358.424 -0.687 20 0 FBADRM O=C(Cn1nn[n-]c1=S)NCCNC(=O)C(F)(F)Br ZINC001177746185 840323120 /nfs/dbraw/zinc/32/31/20/840323120.db2.gz UIMIWJXABUPRTC-UHFFFAOYSA-N -1 0 359.156 -0.818 20 0 FBADRM C[C@H](C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N)c1cccnc1 ZINC001177785341 840323480 /nfs/dbraw/zinc/32/34/80/840323480.db2.gz NQWOONNUISGBPC-LURJTMIESA-N -1 0 354.348 -0.453 20 0 FBADRM C[C@@H](C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N)c1cccnc1 ZINC001177785344 840324081 /nfs/dbraw/zinc/32/40/81/840324081.db2.gz NQWOONNUISGBPC-ZCFIWIBFSA-N -1 0 354.348 -0.453 20 0 FBADRM COC[C@@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1nnn[n-]1 ZINC001177823093 840324818 /nfs/dbraw/zinc/32/48/18/840324818.db2.gz JTFIUSQIAUTTGA-GFCCVEGCSA-N -1 0 366.403 -0.242 20 0 FBADRM COC[C@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1nnn[n-]1 ZINC001177823094 840324276 /nfs/dbraw/zinc/32/42/76/840324276.db2.gz JTFIUSQIAUTTGA-LBPRGKRZSA-N -1 0 366.403 -0.242 20 0 FBADRM COC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(OC)cc1)c1nnn[n-]1 ZINC001177823546 840324206 /nfs/dbraw/zinc/32/42/06/840324206.db2.gz QIOCUMMXBCXWEA-GFCCVEGCSA-N -1 0 369.403 -0.124 20 0 FBADRM COC[C@H](NC(=O)CCS(=O)(=O)c1ccc(OC)cc1)c1nnn[n-]1 ZINC001177823547 840323715 /nfs/dbraw/zinc/32/37/15/840323715.db2.gz QIOCUMMXBCXWEA-LBPRGKRZSA-N -1 0 369.403 -0.124 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N[C@H](COC)c2nnn[n-]2)ccc1F ZINC001177826776 840324880 /nfs/dbraw/zinc/32/48/80/840324880.db2.gz BFZYDMDGSNVCME-SECBINFHSA-N -1 0 358.355 -0.636 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)N[C@@H](COC)c2nnn[n-]2)ccc1F ZINC001177826778 840324087 /nfs/dbraw/zinc/32/40/87/840324087.db2.gz BFZYDMDGSNVCME-VIFPVBQESA-N -1 0 358.355 -0.636 20 0 FBADRM COC[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1)c1nnn[n-]1 ZINC001177827008 840323611 /nfs/dbraw/zinc/32/36/11/840323611.db2.gz CEZJRBLOZLABOQ-LLVKDONJSA-N -1 0 370.391 -0.501 20 0 FBADRM COC[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1)c1nnn[n-]1 ZINC001177827016 840324001 /nfs/dbraw/zinc/32/40/01/840324001.db2.gz CEZJRBLOZLABOQ-NSHDSACASA-N -1 0 370.391 -0.501 20 0 FBADRM CNS(=O)(=O)c1ccc(CC(=O)N[C@H](COC)c2nnn[n-]2)cc1 ZINC001177827353 840323880 /nfs/dbraw/zinc/32/38/80/840323880.db2.gz FYRDALQVCVFKQE-LLVKDONJSA-N -1 0 354.392 -0.846 20 0 FBADRM CNS(=O)(=O)c1ccc(CC(=O)N[C@@H](COC)c2nnn[n-]2)cc1 ZINC001177827354 840324704 /nfs/dbraw/zinc/32/47/04/840324704.db2.gz FYRDALQVCVFKQE-NSHDSACASA-N -1 0 354.392 -0.846 20 0 FBADRM COC[C@@H](NC(=O)c1[nH]ncc1I)c1nnn[n-]1 ZINC001177828306 840324041 /nfs/dbraw/zinc/32/40/41/840324041.db2.gz MVKSHYSWTNZZJD-RXMQYKEDSA-N -1 0 363.119 -0.355 20 0 FBADRM COC[C@H](NC(=O)c1[nH]ncc1I)c1nnn[n-]1 ZINC001177828310 840324486 /nfs/dbraw/zinc/32/44/86/840324486.db2.gz MVKSHYSWTNZZJD-YFKPBYRVSA-N -1 0 363.119 -0.355 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)o1 ZINC001177866468 840324437 /nfs/dbraw/zinc/32/44/37/840324437.db2.gz LYYWZOFDYAKXTA-SECBINFHSA-N -1 0 354.392 -0.204 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)o1 ZINC001177866469 840323777 /nfs/dbraw/zinc/32/37/77/840323777.db2.gz LYYWZOFDYAKXTA-VIFPVBQESA-N -1 0 354.392 -0.204 20 0 FBADRM O=C(CCC(=O)N1CCC[C@H](Cc2nnn[n-]2)C1)N1CCC(O)CC1 ZINC001177866740 840323651 /nfs/dbraw/zinc/32/36/51/840323651.db2.gz QLMWTKMYXQSZLT-GFCCVEGCSA-N -1 0 350.423 -0.256 20 0 FBADRM O=C(CCC(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1)N1CCC(O)CC1 ZINC001177866741 840324526 /nfs/dbraw/zinc/32/45/26/840324526.db2.gz QLMWTKMYXQSZLT-LBPRGKRZSA-N -1 0 350.423 -0.256 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)CC1 ZINC001177867092 840324969 /nfs/dbraw/zinc/32/49/69/840324969.db2.gz WMECIQRPSWAQMG-LLVKDONJSA-N -1 0 356.452 -0.348 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)CC1 ZINC001177867098 840324746 /nfs/dbraw/zinc/32/47/46/840324746.db2.gz WMECIQRPSWAQMG-NSHDSACASA-N -1 0 356.452 -0.348 20 0 FBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001177871471 840325023 /nfs/dbraw/zinc/32/50/23/840325023.db2.gz VYZHNLXVKZVTGN-JTQLQIEISA-N -1 0 353.408 -0.484 20 0 FBADRM CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001177871472 840323836 /nfs/dbraw/zinc/32/38/36/840323836.db2.gz VYZHNLXVKZVTGN-SNVBAGLBSA-N -1 0 353.408 -0.484 20 0 FBADRM O=C(CN1CCCC2(CC2)S1(=O)=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001177871500 840324932 /nfs/dbraw/zinc/32/49/32/840324932.db2.gz WVUFFQKQRWDSRT-GFCCVEGCSA-N -1 0 368.463 -0.061 20 0 FBADRM O=C(CN1CCCC2(CC2)S1(=O)=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001177871511 840324609 /nfs/dbraw/zinc/32/46/09/840324609.db2.gz WVUFFQKQRWDSRT-LBPRGKRZSA-N -1 0 368.463 -0.061 20 0 FBADRM Cc1cc(C(=O)N(C)N2CCS(=O)(=O)CC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001177904701 840325261 /nfs/dbraw/zinc/32/52/61/840325261.db2.gz RTHZYYQACGKJED-UHFFFAOYSA-N -1 0 367.387 -0.538 20 0 FBADRM COC(=O)[C@H]1CSCCN1C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001177998492 840326895 /nfs/dbraw/zinc/32/68/95/840326895.db2.gz PLWQRBORRUHSSS-LLVKDONJSA-N -1 0 364.383 -0.003 20 0 FBADRM COC(=O)[C@@H]1CSCCN1C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001177998494 840327084 /nfs/dbraw/zinc/32/70/84/840327084.db2.gz PLWQRBORRUHSSS-NSHDSACASA-N -1 0 364.383 -0.003 20 0 FBADRM N=C(NC(=O)Cc1csc(NC=O)n1)SCCS(=O)(=O)[O-] ZINC001178034628 840328805 /nfs/dbraw/zinc/32/88/05/840328805.db2.gz JZLURAZZFXKUCE-UHFFFAOYSA-N -1 0 352.419 -0.074 20 0 FBADRM O=C(CNS(=O)(=O)c1ccc(Cl)s1)NCCN1CCNC1=O ZINC001178035075 840329509 /nfs/dbraw/zinc/32/95/09/840329509.db2.gz BNOMBBTYMJXCFC-UHFFFAOYSA-N -1 0 366.852 -0.179 20 0 FBADRM Cc1cc(=O)[nH]c(N2CCN(C(=O)CCCCCS(N)(=O)=O)CC2)n1 ZINC001178039359 840328696 /nfs/dbraw/zinc/32/86/96/840328696.db2.gz QNJYGTCSSMTAOB-UHFFFAOYSA-N -1 0 371.463 -0.012 20 0 FBADRM COc1ccnc(C2(C(=O)N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)CC2)c1 ZINC001178041282 840329055 /nfs/dbraw/zinc/32/90/55/840329055.db2.gz RSGDCZGZEBNLKJ-KWQFWETISA-N -1 0 355.372 -0.360 20 0 FBADRM COc1cccc(C2(C(=O)N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)CC2)n1 ZINC001178051772 840327741 /nfs/dbraw/zinc/32/77/41/840327741.db2.gz HRRODQVZPVNDGV-KWQFWETISA-N -1 0 355.372 -0.360 20 0 FBADRM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)C1CN(c2cnccn2)C1 ZINC001178095585 840330043 /nfs/dbraw/zinc/33/00/43/840330043.db2.gz JYHFSXMITJKOFF-UHFFFAOYSA-N -1 0 359.367 -0.016 20 0 FBADRM Cc1[nH]c(=O)[nH]c(=S)c1C(=O)NCCS(=O)(=O)N=S(C)(C)=O ZINC001178115097 840328726 /nfs/dbraw/zinc/32/87/26/840328726.db2.gz LYNNPOJRWOSMNA-UHFFFAOYSA-N -1 0 368.462 -0.433 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@H]2CCCN(c3ccncn3)C2)C(=O)N1S(=O)(=O)[O-] ZINC001178136112 840329762 /nfs/dbraw/zinc/32/97/62/840329762.db2.gz DQGBPJOUYXLUIX-NHCYSSNCSA-N -1 0 369.403 -0.789 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@@H]2CCCN(c3ccncn3)C2)C(=O)N1S(=O)(=O)[O-] ZINC001178136120 840330320 /nfs/dbraw/zinc/33/03/20/840330320.db2.gz DQGBPJOUYXLUIX-UMNHJUIQSA-N -1 0 369.403 -0.789 20 0 FBADRM COc1cccnc1C1(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)CC1 ZINC001178176793 840329780 /nfs/dbraw/zinc/32/97/80/840329780.db2.gz GKXVJYXTIRADHQ-WPRPVWTQSA-N -1 0 355.372 -0.360 20 0 FBADRM CC(C)(C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N)c1cnccn1 ZINC001178191352 840330449 /nfs/dbraw/zinc/33/04/49/840330449.db2.gz KZFPDZPIWVGQQC-UHFFFAOYSA-N -1 0 369.363 -0.883 20 0 FBADRM Cc1ccnc(CC(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001178264879 840332647 /nfs/dbraw/zinc/33/26/47/840332647.db2.gz OWRHRYZBVYOGAK-UHFFFAOYSA-N -1 0 354.348 -0.705 20 0 FBADRM CCNC(=O)CN(C)C(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178365873 840333110 /nfs/dbraw/zinc/33/31/10/840333110.db2.gz KUMJRVAHVRLQCS-UHFFFAOYSA-N -1 0 351.363 -0.978 20 0 FBADRM N=c1scc(N)n1C(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178366253 840333059 /nfs/dbraw/zinc/33/30/59/840333059.db2.gz WDBFARGXQMRSIN-UHFFFAOYSA-N -1 0 350.360 -0.573 20 0 FBADRM COC(=O)[C@H](C)N(C)C(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178366555 840333172 /nfs/dbraw/zinc/33/31/72/840333172.db2.gz BRUQXBSYHVIAFQ-VIFPVBQESA-N -1 0 352.347 -0.553 20 0 FBADRM CO[C@@H](C)C1CN(C(=O)c2cc3n(n2)CCCN(CC(=O)[O-])C3=O)C1 ZINC001178366619 840334578 /nfs/dbraw/zinc/33/45/78/840334578.db2.gz DVSOVWTUJWGNNX-JTQLQIEISA-N -1 0 350.375 -0.080 20 0 FBADRM CO[C@H](C)C1CN(C(=O)c2cc3n(n2)CCCN(CC(=O)[O-])C3=O)C1 ZINC001178366620 840334630 /nfs/dbraw/zinc/33/46/30/840334630.db2.gz DVSOVWTUJWGNNX-SNVBAGLBSA-N -1 0 350.375 -0.080 20 0 FBADRM CCN(CCC(N)=O)C(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178366765 840334462 /nfs/dbraw/zinc/33/44/62/840334462.db2.gz GHIOLYZDGMYRPJ-UHFFFAOYSA-N -1 0 351.363 -0.849 20 0 FBADRM CN(CC1(C)COC1)C(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178367218 840334814 /nfs/dbraw/zinc/33/48/14/840334814.db2.gz MTPUQARCPZUCML-UHFFFAOYSA-N -1 0 350.375 -0.078 20 0 FBADRM COC(CN(C)C(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O)OC ZINC001178367554 840334646 /nfs/dbraw/zinc/33/46/46/840334646.db2.gz WOUFJCZIMCXOKP-UHFFFAOYSA-N -1 0 354.363 -0.496 20 0 FBADRM C[C@@H]1C[C@H](O)CCN1C(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178367561 840334318 /nfs/dbraw/zinc/33/43/18/840334318.db2.gz WRWWMHSJLLMYLV-GHMZBOCLSA-N -1 0 350.375 -0.201 20 0 FBADRM C[C@H]1CC[C@@H](CO)N1C(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178367777 840334223 /nfs/dbraw/zinc/33/42/23/840334223.db2.gz IURDFFQIMNPMNX-QWRGUYRKSA-N -1 0 350.375 -0.201 20 0 FBADRM C[C@H]1C[C@@H](CO)N(C(=O)c2cc3n(n2)CCCN(CC(=O)[O-])C3=O)C1 ZINC001178368284 840334896 /nfs/dbraw/zinc/33/48/96/840334896.db2.gz QMQHXCXAXRIGGN-QWRGUYRKSA-N -1 0 350.375 -0.344 20 0 FBADRM O=C([O-])CN1CCCn2nc(C(=O)N3CC[C@@H](O)[C@H](F)C3)cc2C1=O ZINC001178368601 840334331 /nfs/dbraw/zinc/33/43/31/840334331.db2.gz VENHBQIWTMHNAB-BXKDBHETSA-N -1 0 354.338 -0.642 20 0 FBADRM CCOC(=O)CCNC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178371416 840332580 /nfs/dbraw/zinc/33/25/80/840332580.db2.gz AZFCDUJGKRGGPN-UHFFFAOYSA-N -1 0 352.347 -0.503 20 0 FBADRM C[C@H]1OCC[C@H]1CNC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178371587 840332619 /nfs/dbraw/zinc/33/26/19/840332619.db2.gz JCUQNKBLYYWCSP-MNOVXSKESA-N -1 0 350.375 -0.032 20 0 FBADRM CCC1(CNC(=O)c2cc3n(n2)CCCN(CC(=O)[O-])C3=O)COC1 ZINC001178371637 840332183 /nfs/dbraw/zinc/33/21/83/840332183.db2.gz LHHUXHIVZSYORL-UHFFFAOYSA-N -1 0 350.375 -0.030 20 0 FBADRM CC(C)(C)[C@H](CO)NC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178371690 840332660 /nfs/dbraw/zinc/33/26/60/840332660.db2.gz NRIXCMRFGBNTAJ-LBPRGKRZSA-N -1 0 352.391 -0.050 20 0 FBADRM CC(C)C[C@H](CO)NC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178371753 840332339 /nfs/dbraw/zinc/33/23/39/840332339.db2.gz QKLWMKCBOIGNMT-LLVKDONJSA-N -1 0 352.391 -0.050 20 0 FBADRM CC[C@H](C)[C@@H](CO)NC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178371794 840332293 /nfs/dbraw/zinc/33/22/93/840332293.db2.gz RUIXBWCHECLLEO-CMPLNLGQSA-N -1 0 352.391 -0.050 20 0 FBADRM CC(C)(CNC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O)C(N)=O ZINC001178371875 840332738 /nfs/dbraw/zinc/33/27/38/840332738.db2.gz VMAAZBZBRJSUBD-UHFFFAOYSA-N -1 0 351.363 -0.945 20 0 FBADRM CC1(C)[C@H](NC(=O)c2cc3n(n2)CCCN(CC(=O)[O-])C3=O)C[C@@H]1O ZINC001178373272 840332691 /nfs/dbraw/zinc/33/26/91/840332691.db2.gz DFTZTTGTVCGFGJ-NEPJUHHUSA-N -1 0 350.375 -0.297 20 0 FBADRM CC1(C)[C@H](O)C[C@@H]1NC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178373274 840332378 /nfs/dbraw/zinc/33/23/78/840332378.db2.gz DFTZTTGTVCGFGJ-NWDGAFQWSA-N -1 0 350.375 -0.297 20 0 FBADRM CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178373275 840332629 /nfs/dbraw/zinc/33/26/29/840332629.db2.gz DFTZTTGTVCGFGJ-RYUDHWBXSA-N -1 0 350.375 -0.297 20 0 FBADRM CC1(C)[C@H](O)C[C@H]1NC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178373277 840332771 /nfs/dbraw/zinc/33/27/71/840332771.db2.gz DFTZTTGTVCGFGJ-VXGBXAGGSA-N -1 0 350.375 -0.297 20 0 FBADRM COC(C)(CNC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O)OC ZINC001178373557 840332509 /nfs/dbraw/zinc/33/25/09/840332509.db2.gz FBUHICYMGLVFSL-UHFFFAOYSA-N -1 0 354.363 -0.448 20 0 FBADRM C[C@@H]1COCC[C@H]1NC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178373682 840332280 /nfs/dbraw/zinc/33/22/80/840332280.db2.gz HWXNRMQVBLIMTI-GHMZBOCLSA-N -1 0 350.375 -0.032 20 0 FBADRM C[C@@H]1COCC[C@@H]1NC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178373683 840331973 /nfs/dbraw/zinc/33/19/73/840331973.db2.gz HWXNRMQVBLIMTI-MNOVXSKESA-N -1 0 350.375 -0.032 20 0 FBADRM C[C@H]1COCC[C@@H]1NC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178373684 840332681 /nfs/dbraw/zinc/33/26/81/840332681.db2.gz HWXNRMQVBLIMTI-QWRGUYRKSA-N -1 0 350.375 -0.032 20 0 FBADRM C[C@H]1COCC[C@H]1NC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178373685 840332313 /nfs/dbraw/zinc/33/23/13/840332313.db2.gz HWXNRMQVBLIMTI-WDEREUQCSA-N -1 0 350.375 -0.032 20 0 FBADRM O=C([O-])CN1CCCn2nc(C(=O)N[C@H]3CCC[C@H]3CO)cc2C1=O ZINC001178373989 840332525 /nfs/dbraw/zinc/33/25/25/840332525.db2.gz JZKDOSQJVCXAPF-QWRGUYRKSA-N -1 0 350.375 -0.296 20 0 FBADRM O=C([O-])CN1CCCn2nc(C(=O)NCCc3nncs3)cc2C1=O ZINC001178373993 840331995 /nfs/dbraw/zinc/33/19/95/840331995.db2.gz KGKQMDHRVYNOBZ-UHFFFAOYSA-N -1 0 364.387 -0.362 20 0 FBADRM O=C([O-])CN1CCCn2nc(C(=O)N[C@H](CO)C(F)(F)F)cc2C1=O ZINC001178374059 840332254 /nfs/dbraw/zinc/33/22/54/840332254.db2.gz LRQBFOUEKBSCKA-SECBINFHSA-N -1 0 364.280 -0.533 20 0 FBADRM O=C([O-])CN1CCCn2nc(C(=O)N[C@@H](CO)C(F)(F)F)cc2C1=O ZINC001178374061 840332518 /nfs/dbraw/zinc/33/25/18/840332518.db2.gz LRQBFOUEKBSCKA-VIFPVBQESA-N -1 0 364.280 -0.533 20 0 FBADRM O=C([O-])CN1CCCn2nc(C(=O)N[C@@H]3CCOC[C@@H]3F)cc2C1=O ZINC001178374372 840332270 /nfs/dbraw/zinc/33/22/70/840332270.db2.gz NOIXEAMONJXGIE-VHSXEESVSA-N -1 0 354.338 -0.330 20 0 FBADRM CC(C)(O)[C@H](F)CNC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178374418 840332594 /nfs/dbraw/zinc/33/25/94/840332594.db2.gz OEDMRLJLKBCRAB-LLVKDONJSA-N -1 0 356.354 -0.348 20 0 FBADRM COC1CC(CNC(=O)c2cc3n(n2)CCCN(CC(=O)[O-])C3=O)C1 ZINC001178375517 840333319 /nfs/dbraw/zinc/33/33/19/840333319.db2.gz YZVXRYRNPOMSGG-UHFFFAOYSA-N -1 0 350.375 -0.032 20 0 FBADRM COC[C@@H](NC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O)C1CC1 ZINC001178375595 840333492 /nfs/dbraw/zinc/33/34/92/840333492.db2.gz ZOXGPACIZHZULS-GFCCVEGCSA-N -1 0 350.375 -0.032 20 0 FBADRM COC[C@H](NC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O)C1CC1 ZINC001178375597 840333477 /nfs/dbraw/zinc/33/34/77/840333477.db2.gz ZOXGPACIZHZULS-LBPRGKRZSA-N -1 0 350.375 -0.032 20 0 FBADRM O=C(c1n[n-]c2ccccc2c1=O)N1CCS(=O)(=O)C[C@@H]1CCO ZINC001178394267 840333332 /nfs/dbraw/zinc/33/33/32/840333332.db2.gz FQPAYZCOTUAKQO-JTQLQIEISA-N -1 0 351.384 -0.043 20 0 FBADRM O=C(c1n[n-]c2ccccc2c1=O)N1CCS(=O)(=O)C[C@H]1CCO ZINC001178394268 840333731 /nfs/dbraw/zinc/33/37/31/840333731.db2.gz FQPAYZCOTUAKQO-SNVBAGLBSA-N -1 0 351.384 -0.043 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)Cc1ncccc1F ZINC001178476774 840335973 /nfs/dbraw/zinc/33/59/73/840335973.db2.gz DUOWCCVBQXIZSQ-UHFFFAOYSA-N -1 0 358.311 -0.874 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)NCS(=O)(=O)[O-])C(=O)C1 ZINC001178501446 840334158 /nfs/dbraw/zinc/33/41/58/840334158.db2.gz CAFJQLRBPYQSSU-UHFFFAOYSA-N -1 0 351.381 -0.973 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2SC(=O)[N-]C2=O)C(=O)C1 ZINC001178501491 840334450 /nfs/dbraw/zinc/33/44/50/840334450.db2.gz DKXIKFWVYCFCHF-LLVKDONJSA-N -1 0 372.403 -0.509 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@H]2SC(=O)[N-]C2=O)C(=O)C1 ZINC001178501492 840334554 /nfs/dbraw/zinc/33/45/54/840334554.db2.gz DKXIKFWVYCFCHF-NSHDSACASA-N -1 0 372.403 -0.509 20 0 FBADRM CN1C[C@H](C(=O)Nc2ccc(CC(=O)[N-]S(C)(=O)=O)cc2)CC1=O ZINC001178521835 840335270 /nfs/dbraw/zinc/33/52/70/840335270.db2.gz BMBDAWOHIHWLKJ-LLVKDONJSA-N -1 0 353.400 -0.278 20 0 FBADRM CN1C[C@@H](C(=O)Nc2ccc(CC(=O)[N-]S(C)(=O)=O)cc2)CC1=O ZINC001178521836 840335759 /nfs/dbraw/zinc/33/57/59/840335759.db2.gz BMBDAWOHIHWLKJ-NSHDSACASA-N -1 0 353.400 -0.278 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)C1Cc2ccccc2C1 ZINC001178540071 840336895 /nfs/dbraw/zinc/33/68/95/840336895.db2.gz IDDQOBYEDDDCJO-UHFFFAOYSA-N -1 0 365.371 -0.236 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC001178722253 840340170 /nfs/dbraw/zinc/34/01/70/840340170.db2.gz XRXRSCWUMPHUFQ-UHFFFAOYSA-N -1 0 371.419 -0.297 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC001178767886 840343256 /nfs/dbraw/zinc/34/32/56/840343256.db2.gz LAWLWYMITBEAOK-JTQLQIEISA-N -1 0 350.393 -0.819 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)NC(=N)SCCS(=O)(=O)[O-])CC1 ZINC001178767935 840343665 /nfs/dbraw/zinc/34/36/65/840343665.db2.gz MJNAKASLGHLLHB-UHFFFAOYSA-N -1 0 373.478 -0.670 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)NC[C@@H](O)c2ccnn2C)ccc1F ZINC001178780691 840344797 /nfs/dbraw/zinc/34/47/97/840344797.db2.gz IHNJWLDLBCEHKR-GFCCVEGCSA-N -1 0 356.379 -0.069 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)NC[C@H](O)c2ccnn2C)ccc1F ZINC001178780692 840344852 /nfs/dbraw/zinc/34/48/52/840344852.db2.gz IHNJWLDLBCEHKR-LBPRGKRZSA-N -1 0 356.379 -0.069 20 0 FBADRM C[C@H]1[C@H](NC(=O)CCN2Cc3ccccc3C2=O)C(=O)N1S(=O)(=O)[O-] ZINC001178833901 840345325 /nfs/dbraw/zinc/34/53/25/840345325.db2.gz XIYJJOVFYKSDOJ-ZANVPECISA-N -1 0 367.383 -0.449 20 0 FBADRM CCN(CC)S(=O)(=O)CC(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1 ZINC001178894259 840346416 /nfs/dbraw/zinc/34/64/16/840346416.db2.gz SMMKAOROHFJBCG-UHFFFAOYSA-N -1 0 360.436 -0.131 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@H]1Cc2ccccc2O1 ZINC001178935816 840346028 /nfs/dbraw/zinc/34/60/28/840346028.db2.gz SQEAWOZYHIURHC-MRVPVSSYSA-N -1 0 367.343 -0.648 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@@H]1Cc2ccccc2O1 ZINC001178935818 840346317 /nfs/dbraw/zinc/34/63/17/840346317.db2.gz SQEAWOZYHIURHC-QMMMGPOBSA-N -1 0 367.343 -0.648 20 0 FBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CN2CCN(C)CC2)cc1 ZINC001178952708 840346724 /nfs/dbraw/zinc/34/67/24/840346724.db2.gz QAMLPRGVUWWXBN-UHFFFAOYSA-N -1 0 370.431 -0.083 20 0 FBADRM CN1CCN(CC(=O)Nc2ccc(CC(=O)[N-]S(C)(=O)=O)cc2)CC1 ZINC001178952789 840347029 /nfs/dbraw/zinc/34/70/29/840347029.db2.gz SFMKQSPDYMYGBJ-UHFFFAOYSA-N -1 0 368.459 -0.509 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCc1nc(CS(C)(=O)=O)n[nH]1 ZINC001179021093 840349394 /nfs/dbraw/zinc/34/93/94/840349394.db2.gz NHMATCOTTAYYCN-UHFFFAOYSA-N -1 0 371.341 -0.577 20 0 FBADRM CC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)CC1 ZINC001179034038 840352246 /nfs/dbraw/zinc/35/22/46/840352246.db2.gz QXDROSMILZJZNI-UHFFFAOYSA-N -1 0 366.399 -0.779 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NCS(=O)(=O)[O-])[C@H](O)C1 ZINC001179062440 840350907 /nfs/dbraw/zinc/35/09/07/840350907.db2.gz GWXOKGMONLUHKD-NOZJJQNGSA-N -1 0 352.409 -0.044 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NCS(=O)(=O)[O-])[C@H](O)C1 ZINC001179062441 840350191 /nfs/dbraw/zinc/35/01/91/840350191.db2.gz GWXOKGMONLUHKD-RNCFNFMXSA-N -1 0 352.409 -0.044 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NCS(=O)(=O)[O-])[C@@H](O)C1 ZINC001179062442 840350841 /nfs/dbraw/zinc/35/08/41/840350841.db2.gz GWXOKGMONLUHKD-TVQRCGJNSA-N -1 0 352.409 -0.044 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NCS(=O)(=O)[O-])[C@@H](O)C1 ZINC001179062443 840350767 /nfs/dbraw/zinc/35/07/67/840350767.db2.gz GWXOKGMONLUHKD-ZANVPECISA-N -1 0 352.409 -0.044 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](CC(=O)N[C@@H]3CO[N-]C3=O)O[C@@H]2C1 ZINC001179092854 840353370 /nfs/dbraw/zinc/35/33/70/840353370.db2.gz CXXVRTAWQJHJDH-IRCOFANPSA-N -1 0 355.391 -0.053 20 0 FBADRM CC(C)[C@H](O)C(=O)Nc1cccc(S(=O)(=O)[N-]c2nnn(C)n2)c1 ZINC001179121799 840353207 /nfs/dbraw/zinc/35/32/07/840353207.db2.gz BCDOWRXUGARBDB-NSHDSACASA-N -1 0 354.392 -0.034 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)NCS(=O)(=O)[O-])C1 ZINC001179149103 840352978 /nfs/dbraw/zinc/35/29/78/840352978.db2.gz GYDABWYEDVEOTB-ZANVPECISA-N -1 0 350.393 -0.169 20 0 FBADRM Cn1[n-]nnc1=NC(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001179203115 840353384 /nfs/dbraw/zinc/35/33/84/840353384.db2.gz RKMBDKGKRLUBIE-AWEZNQCLSA-N -1 0 351.367 -0.274 20 0 FBADRM Cn1[n-]nnc1=NC(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001179203116 840353103 /nfs/dbraw/zinc/35/31/03/840353103.db2.gz RKMBDKGKRLUBIE-CQSZACIVSA-N -1 0 351.367 -0.274 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N[C@@H]3CO[N-]C3=O)=NO2)C1 ZINC001179207525 840354368 /nfs/dbraw/zinc/35/43/68/840354368.db2.gz BLSFXRNSQDIRFA-BMIGLBTASA-N -1 0 354.363 -0.312 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N[C@@H]3CO[N-]C3=O)=NO2)C1 ZINC001179207528 840354336 /nfs/dbraw/zinc/35/43/36/840354336.db2.gz BLSFXRNSQDIRFA-MEBBXXQBSA-N -1 0 354.363 -0.312 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)NCc3nnn[n-]3)=NO2)C1 ZINC001179208783 840354000 /nfs/dbraw/zinc/35/40/00/840354000.db2.gz KZCFXKMIKYIFAP-AWEZNQCLSA-N -1 0 351.367 -0.028 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)NCc3nnn[n-]3)=NO2)C1 ZINC001179208786 840354204 /nfs/dbraw/zinc/35/42/04/840354204.db2.gz KZCFXKMIKYIFAP-CQSZACIVSA-N -1 0 351.367 -0.028 20 0 FBADRM CC(C)(C)OC(=O)N1CC2(C1)CC(=O)N[C@@H]2C(=O)NCS(=O)(=O)[O-] ZINC001179221403 840355499 /nfs/dbraw/zinc/35/54/99/840355499.db2.gz RINKUFLXMHIQEQ-SECBINFHSA-N -1 0 363.392 -0.927 20 0 FBADRM CC(C)(C)OC(=O)N1CC2(C1)CC(=O)N[C@H]2C(=O)NCS(=O)(=O)[O-] ZINC001179221404 840355126 /nfs/dbraw/zinc/35/51/26/840355126.db2.gz RINKUFLXMHIQEQ-VIFPVBQESA-N -1 0 363.392 -0.927 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@@H]2C(C(=O)NCc3n[nH]c(=O)[n-]3)=NO[C@@H]2C1 ZINC001179229657 840355365 /nfs/dbraw/zinc/35/53/65/840355365.db2.gz ZMOGUXNCFAQGFZ-JGVFFNPUSA-N -1 0 352.351 -0.252 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@@H]1CC12CCOCC2 ZINC001179309743 840355997 /nfs/dbraw/zinc/35/59/97/840355997.db2.gz MRCWFYQMPCOKGI-LURJTMIESA-N -1 0 359.364 -0.835 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@H]1CC12CCOCC2 ZINC001179309744 840356035 /nfs/dbraw/zinc/35/60/35/840356035.db2.gz MRCWFYQMPCOKGI-ZCFIWIBFSA-N -1 0 359.364 -0.835 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)NCS(=O)(=O)[O-])[C@H]2C1 ZINC001179372290 840357093 /nfs/dbraw/zinc/35/70/93/840357093.db2.gz CENYRTHHMPSRKJ-KXUCPTDWSA-N -1 0 350.393 -0.170 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@H]2C[C@@]23C(=O)Nc2ccccc23)C(=O)N1S(=O)(=O)[O-] ZINC001179432306 840358057 /nfs/dbraw/zinc/35/80/57/840358057.db2.gz XENWLDLSVSCFAX-SFPNWRLDSA-N -1 0 365.367 -0.585 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@@H]2O[C@@H](C(=O)N[C@@H]3CO[N-]C3=O)C[C@H]2C1 ZINC001179472181 840358871 /nfs/dbraw/zinc/35/88/71/840358871.db2.gz PAHSQQFPHIAJHE-WHOHXGKFSA-N -1 0 355.391 -0.053 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@H](C(=O)NCS(=O)(=O)[O-])[C@H]2OCC[C@H]21 ZINC001179551773 840361448 /nfs/dbraw/zinc/36/14/48/840361448.db2.gz POJAATJGILQPMQ-IVZWLZJFSA-N -1 0 350.393 -0.028 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001179560487 840360335 /nfs/dbraw/zinc/36/03/35/840360335.db2.gz DJEPEZOMSRWXQK-NDBYEHHHSA-N -1 0 350.375 -0.405 20 0 FBADRM C[C@@H](C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001179599993 840362937 /nfs/dbraw/zinc/36/29/37/840362937.db2.gz DXIDDBWYEZQFMC-CIUDSAMLSA-N -1 0 365.408 -0.240 20 0 FBADRM CO[N-]C(=O)CNC(=O)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC001179623105 840364509 /nfs/dbraw/zinc/36/45/09/840364509.db2.gz CBYJGUDTZLFZEF-UHFFFAOYSA-N -1 0 357.432 -0.008 20 0 FBADRM CO[N-]C(=O)CNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1 ZINC001179623798 840365911 /nfs/dbraw/zinc/36/59/11/840365911.db2.gz UGNVCYHLASNNHY-UHFFFAOYSA-N -1 0 357.388 -0.457 20 0 FBADRM CO[N-]C(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001179624160 840365329 /nfs/dbraw/zinc/36/53/29/840365329.db2.gz ZXZSHYMPLIQXHV-JTQLQIEISA-N -1 0 358.395 -0.704 20 0 FBADRM CO[N-]C(=O)CNC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001179624164 840365615 /nfs/dbraw/zinc/36/56/15/840365615.db2.gz ZXZSHYMPLIQXHV-SNVBAGLBSA-N -1 0 358.395 -0.704 20 0 FBADRM COc1ccc(/C=C/C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1O ZINC001179673343 840366039 /nfs/dbraw/zinc/36/60/39/840366039.db2.gz XNCUGYILQRFPOJ-UBTCCRPLSA-N -1 0 356.356 -0.068 20 0 FBADRM C[C@@H]1O[C@@H](OCC[N-]C(=O)C(F)(F)C(F)(F)Cl)[C@@H](O)[C@H](O)[C@@H]1O ZINC001179782821 840366982 /nfs/dbraw/zinc/36/69/82/840366982.db2.gz YHRIBRZJVMMWNK-FMGWEMOISA-N -1 0 369.695 -0.586 20 0 FBADRM C[C@H](CC(F)(F)F)C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001179860410 840368785 /nfs/dbraw/zinc/36/87/85/840368785.db2.gz ZQLZJFDSOSRSGV-GSVOUGTGSA-N -1 0 359.286 -0.063 20 0 FBADRM C[C@@H](CC(F)(F)F)C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001179860411 840369169 /nfs/dbraw/zinc/36/91/69/840369169.db2.gz ZQLZJFDSOSRSGV-VKHMYHEASA-N -1 0 359.286 -0.063 20 0 FBADRM C[C@@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1nn(C)cc1[O-] ZINC001179921665 840370553 /nfs/dbraw/zinc/37/05/53/840370553.db2.gz WOHUNOFDXOUBCT-SECBINFHSA-N -1 0 351.388 -0.200 20 0 FBADRM C[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1nn(C)cc1[O-] ZINC001179921666 840370434 /nfs/dbraw/zinc/37/04/34/840370434.db2.gz WOHUNOFDXOUBCT-VIFPVBQESA-N -1 0 351.388 -0.200 20 0 FBADRM CC(C)(CNC(N)=O)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001179948882 840369047 /nfs/dbraw/zinc/36/90/47/840369047.db2.gz METYYRWKQKZFFE-UHFFFAOYSA-N -1 0 364.374 -0.194 20 0 FBADRM COc1cccc(CC(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1OC ZINC001179968054 840370030 /nfs/dbraw/zinc/37/00/30/840370030.db2.gz SKMAMHDKZQNERK-UFBFGSQYSA-N -1 0 358.372 -0.235 20 0 FBADRM C[C@H]1[C@H](NC(=O)CCn2nnc3ccccc32)C(=O)N1S(=O)(=O)[O-] ZINC001179996528 840370315 /nfs/dbraw/zinc/37/03/15/840370315.db2.gz KCKBIQDFUCAYAZ-UFBFGSQYSA-N -1 0 353.360 -0.660 20 0 FBADRM N=C(NC(=O)CN1c2ccccc2C(=O)C1=O)SCCS(=O)(=O)[O-] ZINC001180052164 840371677 /nfs/dbraw/zinc/37/16/77/840371677.db2.gz MZBLLFLSHYVNMM-UHFFFAOYSA-N -1 0 371.396 -0.112 20 0 FBADRM C[C@H]1[C@H](NC(=O)CCn2ncc3ccccc32)C(=O)N1S(=O)(=O)[O-] ZINC001180062613 840371618 /nfs/dbraw/zinc/37/16/18/840371618.db2.gz IBFIOLDUONEDGV-ZANVPECISA-N -1 0 352.372 -0.055 20 0 FBADRM C[C@H](CC(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N)C(F)(F)F ZINC001180081582 840371763 /nfs/dbraw/zinc/37/17/63/840371763.db2.gz ODQOJDJGYHYPLQ-GSVOUGTGSA-N -1 0 359.286 -0.063 20 0 FBADRM C[C@@H](CC(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N)C(F)(F)F ZINC001180081585 840371144 /nfs/dbraw/zinc/37/11/44/840371144.db2.gz ODQOJDJGYHYPLQ-VKHMYHEASA-N -1 0 359.286 -0.063 20 0 FBADRM CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180171894 840372889 /nfs/dbraw/zinc/37/28/89/840372889.db2.gz DOIIRBSJPBPDQT-LURJTMIESA-N -1 0 358.244 -0.378 20 0 FBADRM CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180171895 840372429 /nfs/dbraw/zinc/37/24/29/840372429.db2.gz DOIIRBSJPBPDQT-ZCFIWIBFSA-N -1 0 358.244 -0.378 20 0 FBADRM CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])C2 ZINC001180172405 840372858 /nfs/dbraw/zinc/37/28/58/840372858.db2.gz WMDOJFGFRUDSEF-LLVKDONJSA-N -1 0 369.271 -0.709 20 0 FBADRM CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])C2 ZINC001180172406 840372578 /nfs/dbraw/zinc/37/25/78/840372578.db2.gz WMDOJFGFRUDSEF-NSHDSACASA-N -1 0 369.271 -0.709 20 0 FBADRM CC(=O)NCc1nnc2n1CCN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])C2 ZINC001180172486 840372724 /nfs/dbraw/zinc/37/27/24/840372724.db2.gz ZYYAPLMOFAJANF-UHFFFAOYSA-N -1 0 367.259 -0.388 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])CCN1C(C)=O ZINC001180174336 840372271 /nfs/dbraw/zinc/37/22/71/840372271.db2.gz OWDVLWUJLQHQSS-SSDOTTSWSA-N -1 0 358.244 -0.426 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])CCN1C(C)=O ZINC001180174337 840372933 /nfs/dbraw/zinc/37/29/33/840372933.db2.gz OWDVLWUJLQHQSS-ZETCQYMHSA-N -1 0 358.244 -0.426 20 0 FBADRM CCn1c(N)c(NC(=O)C(F)(F)C(F)(F)C(=O)[O-])c(=O)n(CC)c1=O ZINC001180176127 840372406 /nfs/dbraw/zinc/37/24/06/840372406.db2.gz NDUVFESGYCKANK-UHFFFAOYSA-N -1 0 370.259 -0.074 20 0 FBADRM O=C([O-])C(F)(F)C(F)(F)C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001180176599 840372775 /nfs/dbraw/zinc/37/27/75/840372775.db2.gz IFXFECZWAZWAJZ-UHFFFAOYSA-N -1 0 356.228 -0.601 20 0 FBADRM O=C([O-])C(F)(F)C(F)(F)C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001180176868 840372942 /nfs/dbraw/zinc/37/29/42/840372942.db2.gz PSYHIZHAWVQMRY-UHFFFAOYSA-N -1 0 364.317 -0.422 20 0 FBADRM C[C@H]1[C@H](NC(=O)C[C@@H]2OC(=O)c3ccccc32)C(=O)N1S(=O)(=O)[O-] ZINC001180187424 840372514 /nfs/dbraw/zinc/37/25/14/840372514.db2.gz DKBIWGFRCWCEDR-JWYUURKGSA-N -1 0 354.340 -0.194 20 0 FBADRM C[C@H]1[C@H](NC(=O)C[C@H]2OC(=O)c3ccccc32)C(=O)N1S(=O)(=O)[O-] ZINC001180187425 840372340 /nfs/dbraw/zinc/37/23/40/840372340.db2.gz DKBIWGFRCWCEDR-KOLSJAJHSA-N -1 0 354.340 -0.194 20 0 FBADRM C[C@H]1[C@H](NC(=O)Cc2n[nH]c(=O)c3ccccc23)C(=O)N1S(=O)(=O)[O-] ZINC001180199123 840373755 /nfs/dbraw/zinc/37/37/55/840373755.db2.gz LOXXIGAKNNAYPY-MADCSZMMSA-N -1 0 366.355 -0.604 20 0 FBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)Cc2nc(N)n[nH]2)cc1 ZINC001180247651 840374654 /nfs/dbraw/zinc/37/46/54/840374654.db2.gz BLUIWNBIZKVGHV-UHFFFAOYSA-N -1 0 352.376 -0.814 20 0 FBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Cc2nc(N)n[nH]2)cc1 ZINC001180248728 840374932 /nfs/dbraw/zinc/37/49/32/840374932.db2.gz YOLMQOHHXVKRPK-UHFFFAOYSA-N -1 0 354.348 -0.387 20 0 FBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)C2=NNC(=O)CC2)cc1 ZINC001180258392 840374574 /nfs/dbraw/zinc/37/45/74/840374574.db2.gz CKVOZGWUDBDEJB-UHFFFAOYSA-N -1 0 354.344 -0.064 20 0 FBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)C2=NNC(=O)CC2)cc1 ZINC001180258680 840374868 /nfs/dbraw/zinc/37/48/68/840374868.db2.gz JAISYTQRQQWXFV-UHFFFAOYSA-N -1 0 352.372 -0.491 20 0 FBADRM CCOC(=O)c1c[nH]c(NC(=O)CCC(=O)N2CCNC(=O)CC2)n1 ZINC001180263702 840374839 /nfs/dbraw/zinc/37/48/39/840374839.db2.gz RGEXTOUHJYLMHW-UHFFFAOYSA-N -1 0 351.363 -0.346 20 0 FBADRM CN(c1cccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)c1)S(C)(=O)=O ZINC001180266413 840375773 /nfs/dbraw/zinc/37/57/73/840375773.db2.gz RNWTXFNDFXWSLP-UHFFFAOYSA-N -1 0 355.376 -0.599 20 0 FBADRM COc1ccc2c(c1)C[C@H](C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)CO2 ZINC001180362458 840379097 /nfs/dbraw/zinc/37/90/97/840379097.db2.gz YSLXVPWUYJFCOK-FWDPORAESA-N -1 0 370.383 -0.235 20 0 FBADRM COc1ccc2c(c1)C[C@@H](C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)CO2 ZINC001180362459 840379313 /nfs/dbraw/zinc/37/93/13/840379313.db2.gz YSLXVPWUYJFCOK-PLMOITTCSA-N -1 0 370.383 -0.235 20 0 FBADRM C[C@](Cn1cccn1)(NC(=O)c1nc[n-]c(=O)c1Br)C(N)=O ZINC001180372159 840380573 /nfs/dbraw/zinc/38/05/73/840380573.db2.gz RWODSBFQPAWYGT-GFCCVEGCSA-N -1 0 369.179 -0.185 20 0 FBADRM C[C@@](Cn1cccn1)(NC(=O)c1nc[n-]c(=O)c1Br)C(N)=O ZINC001180372168 840380795 /nfs/dbraw/zinc/38/07/95/840380795.db2.gz RWODSBFQPAWYGT-LBPRGKRZSA-N -1 0 369.179 -0.185 20 0 FBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CN2C(=O)CNC2=O)cc1 ZINC001180381706 840378256 /nfs/dbraw/zinc/37/82/56/840378256.db2.gz KBXWUAWWVARKEF-UHFFFAOYSA-N -1 0 370.343 -0.778 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC001180381813 840377989 /nfs/dbraw/zinc/37/79/89/840377989.db2.gz PKDKJZJGSFZYQF-LBPRGKRZSA-N -1 0 372.399 -0.211 20 0 FBADRM COC(=O)NC(=S)N(C(=O)CN1C(=O)CNC1=O)c1ccccc1N ZINC001180384928 840378965 /nfs/dbraw/zinc/37/89/65/840378965.db2.gz JPZJVNNFWWUYHA-UHFFFAOYSA-N -1 0 365.371 -0.206 20 0 FBADRM COc1cccc2c1OC[C@@H](C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)C2 ZINC001180404837 840379871 /nfs/dbraw/zinc/37/98/71/840379871.db2.gz PWDKEXGPNOAFRO-PEXQALLHSA-N -1 0 370.383 -0.235 20 0 FBADRM COc1cccc2c1OC[C@H](C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)C2 ZINC001180404838 840380331 /nfs/dbraw/zinc/38/03/31/840380331.db2.gz PWDKEXGPNOAFRO-XRNSZHNASA-N -1 0 370.383 -0.235 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)C[C@H]1CCCCO1 ZINC001180413609 840380668 /nfs/dbraw/zinc/38/06/68/840380668.db2.gz KQINATUEBNLWDB-OLZOCXBDSA-N -1 0 352.391 -0.013 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)C[C@@H]1CCCCO1 ZINC001180413612 840380354 /nfs/dbraw/zinc/38/03/54/840380354.db2.gz KQINATUEBNLWDB-STQMWFEESA-N -1 0 352.391 -0.013 20 0 FBADRM CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)C1(C(=O)[O-])CCCCC1)C2 ZINC001180436147 840380079 /nfs/dbraw/zinc/38/00/79/840380079.db2.gz XKMXSBUGUBANHA-INIZCTEOSA-N -1 0 351.403 -0.029 20 0 FBADRM CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)C1(C(=O)[O-])CCCCC1)C2 ZINC001180436148 840379961 /nfs/dbraw/zinc/37/99/61/840379961.db2.gz XKMXSBUGUBANHA-MRXNPFEDSA-N -1 0 351.403 -0.029 20 0 FBADRM CN1N=C(C(=O)Nc2ccc(CC(=O)[N-]S(C)(=O)=O)cc2)CCC1=O ZINC001180442025 840380436 /nfs/dbraw/zinc/38/04/36/840380436.db2.gz MMVOBUOQAITJTI-UHFFFAOYSA-N -1 0 366.399 -0.148 20 0 FBADRM CC(C)(C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N)C(F)(F)F ZINC001180445744 840380179 /nfs/dbraw/zinc/38/01/79/840380179.db2.gz NTSMSUVYJFSQCV-UHFFFAOYSA-N -1 0 359.286 -0.063 20 0 FBADRM C[C@@](O)(C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])C(F)(F)F ZINC001180490799 840380732 /nfs/dbraw/zinc/38/07/32/840380732.db2.gz GJHQNKZZSBJRIN-QPUJVOFHSA-N -1 0 366.296 -0.659 20 0 FBADRM O=C(CCC(=O)N1CCOCC1)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001180495699 840381752 /nfs/dbraw/zinc/38/17/52/840381752.db2.gz KSYKVTXMHMPNKY-UHFFFAOYSA-N -1 0 367.383 -0.304 20 0 FBADRM N=C(NC(=O)CCC(=O)N1CCOCC1)SCCS(=O)(=O)[O-] ZINC001180498731 840381809 /nfs/dbraw/zinc/38/18/09/840381809.db2.gz NCNLWOVNXFSKDU-UHFFFAOYSA-N -1 0 353.422 -0.703 20 0 FBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)[C@H]2CSCC(=O)N2)cc1 ZINC001180551993 840383345 /nfs/dbraw/zinc/38/33/45/840383345.db2.gz IHWZHBNETUOQKQ-LLVKDONJSA-N -1 0 371.440 -0.525 20 0 FBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)[C@@H]2CSCC(=O)N2)cc1 ZINC001180552006 840384193 /nfs/dbraw/zinc/38/41/93/840384193.db2.gz IHWZHBNETUOQKQ-NSHDSACASA-N -1 0 371.440 -0.525 20 0 FBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CSCC(=O)N2)cc1 ZINC001180554701 840383884 /nfs/dbraw/zinc/38/38/84/840383884.db2.gz ZVKUHYSDAGOUJJ-JTQLQIEISA-N -1 0 373.412 -0.099 20 0 FBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CSCC(=O)N2)cc1 ZINC001180554702 840383536 /nfs/dbraw/zinc/38/35/36/840383536.db2.gz ZVKUHYSDAGOUJJ-SNVBAGLBSA-N -1 0 373.412 -0.099 20 0 FBADRM O=C(CN1CCS(=O)(=O)CC1)Nc1nc[n-]c(=O)c1Br ZINC001180591882 840384681 /nfs/dbraw/zinc/38/46/81/840384681.db2.gz XHBNRTHJIYSBKE-UHFFFAOYSA-N -1 0 365.209 -0.386 20 0 FBADRM C[C@H]1[C@H](NC(=O)COc2cccc(N(C)C)c2)C(=O)N1S(=O)(=O)[O-] ZINC001180618790 840385168 /nfs/dbraw/zinc/38/51/68/840385168.db2.gz MQDJNHQAQZTKHN-ZANVPECISA-N -1 0 357.388 -0.350 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCc2ncc(Br)n2C1 ZINC001180637217 840387532 /nfs/dbraw/zinc/38/75/32/840387532.db2.gz BDPKUNMXIIXXLK-LURJTMIESA-N -1 0 357.168 -0.221 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCc2ncc(Br)n2C1 ZINC001180637221 840387411 /nfs/dbraw/zinc/38/74/11/840387411.db2.gz BDPKUNMXIIXXLK-ZCFIWIBFSA-N -1 0 357.168 -0.221 20 0 FBADRM C[C@H]1[C@H](NC(=O)COCC(F)(F)C(F)F)C(=O)N1S(=O)(=O)[O-] ZINC001180646624 840388505 /nfs/dbraw/zinc/38/85/05/840388505.db2.gz YRYNQZOCNQHAAM-NJGYIYPDSA-N -1 0 352.262 -0.578 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)Cc1ccc(O)cc1F ZINC001180648053 840388749 /nfs/dbraw/zinc/38/87/49/840388749.db2.gz LBWPCRBZQWPUND-UHFFFAOYSA-N -1 0 373.322 -0.564 20 0 FBADRM C[C@H]1[C@H](NC(=O)Cc2c[nH]c3ccc(O)cc23)C(=O)N1S(=O)(=O)[O-] ZINC001180663478 840389291 /nfs/dbraw/zinc/38/92/91/840389291.db2.gz UWKBPGYFRVMEPJ-CPFSXVBKSA-N -1 0 353.356 -0.066 20 0 FBADRM CN1CCO[C@@H](C(=O)Nc2ccc(CC(=O)[N-]S(C)(=O)=O)cc2)C1 ZINC001180761654 840391532 /nfs/dbraw/zinc/39/15/32/840391532.db2.gz NGBHVFNDHGUMPC-CYBMUJFWSA-N -1 0 355.416 -0.426 20 0 FBADRM CN1CCO[C@H](C(=O)Nc2ccc(CC(=O)[N-]S(C)(=O)=O)cc2)C1 ZINC001180761655 840391856 /nfs/dbraw/zinc/39/18/56/840391856.db2.gz NGBHVFNDHGUMPC-ZDUSSCGKSA-N -1 0 355.416 -0.426 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2SC(=O)[N-]C2=O)CC1 ZINC001180794220 840391796 /nfs/dbraw/zinc/39/17/96/840391796.db2.gz WYNSUPVOQHOVQQ-LLVKDONJSA-N -1 0 358.420 -0.036 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@H]2SC(=O)[N-]C2=O)CC1 ZINC001180794221 840392195 /nfs/dbraw/zinc/39/21/95/840392195.db2.gz WYNSUPVOQHOVQQ-NSHDSACASA-N -1 0 358.420 -0.036 20 0 FBADRM O=C(N[C@@H]1CO[N-]C1=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001180805165 840392122 /nfs/dbraw/zinc/39/21/22/840392122.db2.gz WRZQDCNXXVXTNU-CYBMUJFWSA-N -1 0 353.400 -0.367 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)CNC(=O)c1ccc(OC)cc1 ZINC001180808178 840391884 /nfs/dbraw/zinc/39/18/84/840391884.db2.gz JUHIVYQZJACLHC-LBPRGKRZSA-N -1 0 352.343 -0.052 20 0 FBADRM CCOC(=O)N1CCC(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)CC1 ZINC001180831615 840391365 /nfs/dbraw/zinc/39/13/65/840391365.db2.gz RARRTXJIYXVVFT-WPRPVWTQSA-N -1 0 363.392 -0.627 20 0 FBADRM CC(C)C(=O)N1CCC(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)CC1 ZINC001180846855 840392786 /nfs/dbraw/zinc/39/27/86/840392786.db2.gz SUSGPWQOPUUVHN-ONGXEEELSA-N -1 0 361.420 -0.601 20 0 FBADRM COCCN1C[C@H](C(=O)NC(=N)SCCS(=O)(=O)[O-])CC1=O ZINC001180890952 840393182 /nfs/dbraw/zinc/39/31/82/840393182.db2.gz LWSRUIJYEDUREP-MRVPVSSYSA-N -1 0 353.422 -0.847 20 0 FBADRM COCCN1C[C@@H](C(=O)NC(=N)SCCS(=O)(=O)[O-])CC1=O ZINC001180890954 840392724 /nfs/dbraw/zinc/39/27/24/840392724.db2.gz LWSRUIJYEDUREP-QMMMGPOBSA-N -1 0 353.422 -0.847 20 0 FBADRM COCCN1C[C@H](C(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)CC1=O ZINC001180892294 840392708 /nfs/dbraw/zinc/39/27/08/840392708.db2.gz OCTKOHWDKCJJOR-SECBINFHSA-N -1 0 367.383 -0.448 20 0 FBADRM COCCN1C[C@@H](C(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)CC1=O ZINC001180892295 840393267 /nfs/dbraw/zinc/39/32/67/840393267.db2.gz OCTKOHWDKCJJOR-VIFPVBQESA-N -1 0 367.383 -0.448 20 0 FBADRM CN(CC(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N)c1ccccc1 ZINC001180943762 840395740 /nfs/dbraw/zinc/39/57/40/840395740.db2.gz MFEMXYPRDKNDLD-UHFFFAOYSA-N -1 0 368.375 -0.515 20 0 FBADRM C[C@H]1[C@H](NC(=O)C[C@@H]2C(=O)Nc3ccccc32)C(=O)N1S(=O)(=O)[O-] ZINC001180953487 840395757 /nfs/dbraw/zinc/39/57/57/840395757.db2.gz NVWOMWSHOFDLBH-DXBFQKDVSA-N -1 0 353.356 -0.369 20 0 FBADRM C[C@H]1[C@H](NC(=O)C[C@H]2C(=O)Nc3ccccc32)C(=O)N1S(=O)(=O)[O-] ZINC001180953488 840394850 /nfs/dbraw/zinc/39/48/50/840394850.db2.gz NVWOMWSHOFDLBH-VMAXQDLPSA-N -1 0 353.356 -0.369 20 0 FBADRM C[C@H]1[C@H](NC(=O)CCCNC(=O)c2ccccc2)C(=O)N1S(=O)(=O)[O-] ZINC001180962163 840394874 /nfs/dbraw/zinc/39/48/74/840394874.db2.gz OLLHSXHBBCFKNW-GWCFXTLKSA-N -1 0 369.399 -0.285 20 0 FBADRM O=C(C[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1)NC(CO)(CO)CO ZINC001181017948 840396518 /nfs/dbraw/zinc/39/65/18/840396518.db2.gz OVFPJSXOXJXVMB-LLVKDONJSA-N -1 0 364.320 -0.372 20 0 FBADRM O=C(C[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1)NC(CO)(CO)CO ZINC001181017949 840396038 /nfs/dbraw/zinc/39/60/38/840396038.db2.gz OVFPJSXOXJXVMB-NSHDSACASA-N -1 0 364.320 -0.372 20 0 FBADRM C[C@H]1[C@H](NC(=O)Cc2ccc3nccnc3c2)C(=O)N1S(=O)(=O)[O-] ZINC001181025083 840396668 /nfs/dbraw/zinc/39/66/68/840396668.db2.gz WUYMIVKLZGQXRS-SDBXPKJASA-N -1 0 350.356 -0.309 20 0 FBADRM CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)CCC(=O)[O-] ZINC001181046229 840396645 /nfs/dbraw/zinc/39/66/45/840396645.db2.gz NFRPVNOSKVGVKY-LLVKDONJSA-N -1 0 360.363 -0.007 20 0 FBADRM CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)CCC(=O)[O-] ZINC001181046236 840396529 /nfs/dbraw/zinc/39/65/29/840396529.db2.gz NFRPVNOSKVGVKY-NSHDSACASA-N -1 0 360.363 -0.007 20 0 FBADRM CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001181047038 840397216 /nfs/dbraw/zinc/39/72/16/840397216.db2.gz PPDSTHHSGFUERA-HZGVNTEJSA-N -1 0 361.376 -0.132 20 0 FBADRM CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001181047039 840397181 /nfs/dbraw/zinc/39/71/81/840397181.db2.gz PPDSTHHSGFUERA-IMTBSYHQSA-N -1 0 361.376 -0.132 20 0 FBADRM CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001181047040 840397681 /nfs/dbraw/zinc/39/76/81/840397681.db2.gz PPDSTHHSGFUERA-MUWHJKNJSA-N -1 0 361.376 -0.132 20 0 FBADRM CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001181047041 840397348 /nfs/dbraw/zinc/39/73/48/840397348.db2.gz PPDSTHHSGFUERA-RCOVLWMOSA-N -1 0 361.376 -0.132 20 0 FBADRM COC(=O)C1CC2(CC(C(=O)N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)C2)C1 ZINC001181061796 840397316 /nfs/dbraw/zinc/39/73/16/840397316.db2.gz CTOOIQQQECJPNO-YBBRFPOESA-N -1 0 360.388 -0.516 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)[C@@H]1CCCC[C@@H]1O ZINC001181095782 840397828 /nfs/dbraw/zinc/39/78/28/840397828.db2.gz KARBBZZQXGKJIF-AGIUHOORSA-N -1 0 352.391 -0.421 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)[C@H]1CCCC[C@@H]1O ZINC001181095783 840397487 /nfs/dbraw/zinc/39/74/87/840397487.db2.gz KARBBZZQXGKJIF-AVGNSLFASA-N -1 0 352.391 -0.421 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)[C@@H]1CCCC[C@H]1O ZINC001181095784 840397088 /nfs/dbraw/zinc/39/70/88/840397088.db2.gz KARBBZZQXGKJIF-FRRDWIJNSA-N -1 0 352.391 -0.421 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)[C@H]1CCCC[C@H]1O ZINC001181095785 840397734 /nfs/dbraw/zinc/39/77/34/840397734.db2.gz KARBBZZQXGKJIF-RWMBFGLXSA-N -1 0 352.391 -0.421 20 0 FBADRM COC(=O)[C@H](CCC(=O)NCS(=O)(=O)[O-])NC(=O)OC(C)(C)C ZINC001181117117 840397257 /nfs/dbraw/zinc/39/72/57/840397257.db2.gz NOMLMYKJYDWJLR-QMMMGPOBSA-N -1 0 354.381 -0.206 20 0 FBADRM COC(=O)[C@H](CCC(=O)NCc1n[nH]c(=O)[n-]1)NC(=O)OC(C)(C)C ZINC001181117186 840397715 /nfs/dbraw/zinc/39/77/15/840397715.db2.gz PXGAKMPSQCNYFB-QMMMGPOBSA-N -1 0 357.367 -0.027 20 0 FBADRM CC(C)(C)OC(=O)NCCOCCOCC(=O)NCc1n[nH]c(=O)[n-]1 ZINC001181147902 840399734 /nfs/dbraw/zinc/39/97/34/840399734.db2.gz PZRJNFVZHHIWFN-UHFFFAOYSA-N -1 0 359.383 -0.316 20 0 FBADRM CC(C)(C)OC(=O)NCCOCCOCC(=O)NCS(=O)(=O)[O-] ZINC001181147907 840399639 /nfs/dbraw/zinc/39/96/39/840399639.db2.gz QDZMPEZPHGBHNM-UHFFFAOYSA-N -1 0 356.397 -0.494 20 0 FBADRM COC(=O)c1ccccc1CCC(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001181160649 840397690 /nfs/dbraw/zinc/39/76/90/840397690.db2.gz GABQYIFCYKJDOH-ZANVPECISA-N -1 0 370.383 -0.076 20 0 FBADRM COC(=O)c1ccccc1CC(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001181218378 840399294 /nfs/dbraw/zinc/39/92/94/840399294.db2.gz BGEKYPFDKLJCGA-UFBFGSQYSA-N -1 0 356.356 -0.466 20 0 FBADRM CC(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)c1ccccc1 ZINC001181227473 840401069 /nfs/dbraw/zinc/40/10/69/840401069.db2.gz QOKGIMSQGXMVQD-KPXOXKRLSA-N -1 0 355.372 -0.618 20 0 FBADRM CC(=O)N[C@H](C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)c1ccccc1 ZINC001181227474 840400843 /nfs/dbraw/zinc/40/08/43/840400843.db2.gz QOKGIMSQGXMVQD-UWJYBYFXSA-N -1 0 355.372 -0.618 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCS(=O)(=O)CCO1 ZINC001181282759 840400658 /nfs/dbraw/zinc/40/06/58/840400658.db2.gz VDDXXMSUSASBLZ-UHFFFAOYSA-N -1 0 366.392 -0.001 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)C(=O)Cc1ccccc1 ZINC001181375307 840402023 /nfs/dbraw/zinc/40/20/23/840402023.db2.gz RDQGUORPIGCJJC-UHFFFAOYSA-N -1 0 367.343 -0.839 20 0 FBADRM C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001181414265 840403617 /nfs/dbraw/zinc/40/36/17/840403617.db2.gz UACYTUZUPLBFKL-HFJPGXAFSA-N -1 0 374.419 -0.170 20 0 FBADRM C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001181414266 840403773 /nfs/dbraw/zinc/40/37/73/840403773.db2.gz UACYTUZUPLBFKL-OKTBNZSVSA-N -1 0 374.419 -0.170 20 0 FBADRM C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCS(=O)(=O)[O-] ZINC001181417263 840403344 /nfs/dbraw/zinc/40/33/44/840403344.db2.gz FXEOHYNCKRLBGK-YUMQZZPRSA-N -1 0 353.397 -0.634 20 0 FBADRM C[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001181417377 840403416 /nfs/dbraw/zinc/40/34/16/840403416.db2.gz IJMJDNFKPURTTC-YUMQZZPRSA-N -1 0 356.383 -0.456 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)CC(=O)NCc1n[nH]c(=O)[n-]1 ZINC001181439372 840404854 /nfs/dbraw/zinc/40/48/54/840404854.db2.gz IGBMNUWRAPEIOT-QMMMGPOBSA-N -1 0 356.383 -0.325 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001181440235 840404785 /nfs/dbraw/zinc/40/47/85/840404785.db2.gz RTWVDODCHPAFEX-CPCISQLKSA-N -1 0 374.419 -0.039 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001181440238 840404884 /nfs/dbraw/zinc/40/48/84/840404884.db2.gz RTWVDODCHPAFEX-WRWORJQWSA-N -1 0 374.419 -0.039 20 0 FBADRM CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)CC(=O)NCS(=O)(=O)[O-] ZINC001181441051 840404486 /nfs/dbraw/zinc/40/44/86/840404486.db2.gz WHFKFHJXPYIHCI-QMMMGPOBSA-N -1 0 353.397 -0.503 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)C1(NC(=O)OC(C)(C)C)COC1 ZINC001181516529 840406802 /nfs/dbraw/zinc/40/68/02/840406802.db2.gz MCKKEXJXPRJISP-VIFPVBQESA-N -1 0 360.363 -0.197 20 0 FBADRM N=C(NC(=O)CC1CCS(=O)(=O)CC1)SCCS(=O)(=O)[O-] ZINC001181547071 840406830 /nfs/dbraw/zinc/40/68/30/840406830.db2.gz XLYDGMYYZVXEKB-UHFFFAOYSA-N -1 0 358.463 -0.127 20 0 FBADRM CCOC(=O)C1(C(=O)NCc2nnn[n-]2)CN(C(=O)OC(C)(C)C)C1 ZINC001181576551 840407067 /nfs/dbraw/zinc/40/70/67/840407067.db2.gz LMMXKNCXZKWUDL-UHFFFAOYSA-N -1 0 354.367 -0.384 20 0 FBADRM CCOC(=O)C1(C(=O)NCS(=O)(=O)[O-])CN(C(=O)OC(C)(C)C)C1 ZINC001181577253 840406876 /nfs/dbraw/zinc/40/68/76/840406876.db2.gz QTDYDPDIKUZMTN-UHFFFAOYSA-N -1 0 366.392 -0.252 20 0 FBADRM CCOC(=O)C1(C(=O)N[C@@H]2CO[N-]C2=O)CN(C(=O)OC(C)(C)C)C1 ZINC001181578306 840406889 /nfs/dbraw/zinc/40/68/89/840406889.db2.gz ZEWANVXNUKGCHJ-SECBINFHSA-N -1 0 357.363 -0.667 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)C1CC2(COC2)C1 ZINC001181617053 840408038 /nfs/dbraw/zinc/40/80/38/840408038.db2.gz TUJMXDVZCOCNMJ-LBPRGKRZSA-N -1 0 350.375 -0.546 20 0 FBADRM C[C@H]1[C@H](NC(=O)C2CC(O)(c3ccccc3)C2)C(=O)N1S(=O)(=O)[O-] ZINC001181647596 840409298 /nfs/dbraw/zinc/40/92/98/840409298.db2.gz OKQHNFQSPCTCFQ-PULIZBFPSA-N -1 0 354.384 -0.198 20 0 FBADRM COC(=O)[C@@H](O)CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC001181697509 840409534 /nfs/dbraw/zinc/40/95/34/840409534.db2.gz CODJKLDYBVZFHW-NSHDSACASA-N -1 0 351.384 -0.124 20 0 FBADRM C[C@H]1[C@H](NC(=O)C2CCC(O)(C(F)(F)F)CC2)C(=O)N1S(=O)(=O)[O-] ZINC001181734526 840411937 /nfs/dbraw/zinc/41/19/37/840411937.db2.gz JFEGCOAGBVSRKD-KGRFEAHFSA-N -1 0 374.337 -0.012 20 0 FBADRM CC1(C)OC[C@@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])O1 ZINC001181748386 840410746 /nfs/dbraw/zinc/41/07/46/840410746.db2.gz UCYJMHMVVHXCMD-QWRGUYRKSA-N -1 0 354.363 -0.821 20 0 FBADRM CC1(C)OC[C@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])O1 ZINC001181748389 840410719 /nfs/dbraw/zinc/41/07/19/840410719.db2.gz UCYJMHMVVHXCMD-WDEREUQCSA-N -1 0 354.363 -0.821 20 0 FBADRM COc1ccc(COCC(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1 ZINC001181754047 840410618 /nfs/dbraw/zinc/41/06/18/840410618.db2.gz JVMXQAPAJXVVBI-ZANVPECISA-N -1 0 358.372 -0.270 20 0 FBADRM CCOC(CC(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N)OCC ZINC001181790855 840412189 /nfs/dbraw/zinc/41/21/89/840412189.db2.gz MSCKHPRXVJIDOM-UHFFFAOYSA-N -1 0 365.368 -0.862 20 0 FBADRM O=C(Cn1nc(Cl)ccc1=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001181891365 840413003 /nfs/dbraw/zinc/41/30/03/840413003.db2.gz FNTRGYZLUJUTLV-UHFFFAOYSA-N -1 0 368.758 -0.033 20 0 FBADRM N=C(NC(=O)Cn1nc(Cl)ccc1=O)SCCS(=O)(=O)[O-] ZINC001181894915 840414141 /nfs/dbraw/zinc/41/41/41/840414141.db2.gz GLJIIJXXHRHANQ-UHFFFAOYSA-N -1 0 354.797 -0.431 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@H](CO)c1ccccc1 ZINC001181922915 840414539 /nfs/dbraw/zinc/41/45/39/840414539.db2.gz IECNEWROKDSIQK-MRVPVSSYSA-N -1 0 369.359 -0.875 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@@H](CO)c1ccccc1 ZINC001181922920 840414168 /nfs/dbraw/zinc/41/41/68/840414168.db2.gz IECNEWROKDSIQK-QMMMGPOBSA-N -1 0 369.359 -0.875 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@@H]2CCC(=O)N2c2ccccc2)C(=O)N1S(=O)(=O)[O-] ZINC001181948901 840414119 /nfs/dbraw/zinc/41/41/19/840414119.db2.gz FJYSJOCLQFUWLA-GAFUQQFSSA-N -1 0 367.383 -0.300 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@H]2CCC(=O)N2c2ccccc2)C(=O)N1S(=O)(=O)[O-] ZINC001181948902 840414109 /nfs/dbraw/zinc/41/41/09/840414109.db2.gz FJYSJOCLQFUWLA-NDMJEZRESA-N -1 0 367.383 -0.300 20 0 FBADRM COCC1(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])CCC1 ZINC001181952212 840413901 /nfs/dbraw/zinc/41/39/01/840413901.db2.gz GGYDIGPANVHYBM-LBPRGKRZSA-N -1 0 352.391 -0.155 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@H]2CN(C)c3ccccc3O2)C(=O)N1S(=O)(=O)[O-] ZINC001181969127 840415594 /nfs/dbraw/zinc/41/55/94/840415594.db2.gz CMYAOBVEGIXPMK-AXTRIDKLSA-N -1 0 355.372 -0.598 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@@H]2CN(C)c3ccccc3O2)C(=O)N1S(=O)(=O)[O-] ZINC001181969128 840415849 /nfs/dbraw/zinc/41/58/49/840415849.db2.gz CMYAOBVEGIXPMK-UWJYBYFXSA-N -1 0 355.372 -0.598 20 0 FBADRM CC1(C)C[C@@H](C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)CCO1 ZINC001182013091 840417087 /nfs/dbraw/zinc/41/70/87/840417087.db2.gz CDKDBFGJTAVSAY-LURJTMIESA-N -1 0 361.380 -0.446 20 0 FBADRM CC1(C)C[C@H](C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)CCO1 ZINC001182013092 840416797 /nfs/dbraw/zinc/41/67/97/840416797.db2.gz CDKDBFGJTAVSAY-ZCFIWIBFSA-N -1 0 361.380 -0.446 20 0 FBADRM CC(=O)NCSC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnn[n-]1 ZINC001182107376 840418422 /nfs/dbraw/zinc/41/84/22/840418422.db2.gz ZXIPTWXYEGTTPT-VIFPVBQESA-N -1 0 373.439 -0.464 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H]2CO[N-]C2=O)cc1 ZINC001182126527 840419485 /nfs/dbraw/zinc/41/94/85/840419485.db2.gz IZWVUFHNQJUZEO-OLZOCXBDSA-N -1 0 353.400 -0.306 20 0 FBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](CCO)NC(C)=O)cc1 ZINC001182129333 840419129 /nfs/dbraw/zinc/41/91/29/840419129.db2.gz DHMVGSWOYFVSKW-GFCCVEGCSA-N -1 0 373.387 -0.443 20 0 FBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](CCO)NC(C)=O)cc1 ZINC001182129334 840419587 /nfs/dbraw/zinc/41/95/87/840419587.db2.gz DHMVGSWOYFVSKW-LBPRGKRZSA-N -1 0 373.387 -0.443 20 0 FBADRM CC(=O)N[C@H](CCO)C(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1 ZINC001182130849 840419156 /nfs/dbraw/zinc/41/91/56/840419156.db2.gz XOVAJHLNQMJCFD-CYBMUJFWSA-N -1 0 371.415 -0.870 20 0 FBADRM CC(=O)N[C@@H](CCO)C(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1 ZINC001182130850 840419627 /nfs/dbraw/zinc/41/96/27/840419627.db2.gz XOVAJHLNQMJCFD-ZDUSSCGKSA-N -1 0 371.415 -0.870 20 0 FBADRM C[C@]1(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)CC1(Cl)Cl ZINC001182139399 840420411 /nfs/dbraw/zinc/42/04/11/840420411.db2.gz PWLIANDOUINVGD-MRVPVSSYSA-N -1 0 372.190 -0.067 20 0 FBADRM C[C@@]1(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)CC1(Cl)Cl ZINC001182139400 840420605 /nfs/dbraw/zinc/42/06/05/840420605.db2.gz PWLIANDOUINVGD-QMMMGPOBSA-N -1 0 372.190 -0.067 20 0 FBADRM O=C(CC1CC(=O)NC(=O)C1)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001182171068 840421582 /nfs/dbraw/zinc/42/15/82/840421582.db2.gz CSAUWFDMPXZWDL-UHFFFAOYSA-N -1 0 351.340 -0.500 20 0 FBADRM C[C@H]1[C@H](NC(=O)CC2(CC(N)=O)CCCCC2)C(=O)N1S(=O)(=O)[O-] ZINC001182183216 840421526 /nfs/dbraw/zinc/42/15/26/840421526.db2.gz UBCGUOSJFSJGJS-CABZTGNLSA-N -1 0 361.420 -0.279 20 0 FBADRM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(CC(=O)N[C@@H]2CO[N-]C2=O)C1 ZINC001182298640 840425833 /nfs/dbraw/zinc/42/58/33/840425833.db2.gz SLJSJBRAGSOLFF-NWDGAFQWSA-N -1 0 356.423 -0.136 20 0 FBADRM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)N[C@@H]2CO[N-]C2=O)C1 ZINC001182298641 840425357 /nfs/dbraw/zinc/42/53/57/840425357.db2.gz SLJSJBRAGSOLFF-VXGBXAGGSA-N -1 0 356.423 -0.136 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@@H]1C[C@@H]1C(F)(F)F ZINC001182313791 840425789 /nfs/dbraw/zinc/42/57/89/840425789.db2.gz KQKOBNDPHQGPNY-GBXIJSLDSA-N -1 0 357.270 -0.453 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@H]1C[C@@H]1C(F)(F)F ZINC001182313809 840425571 /nfs/dbraw/zinc/42/55/71/840425571.db2.gz KQKOBNDPHQGPNY-HRFVKAFMSA-N -1 0 357.270 -0.453 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC001182313900 840425899 /nfs/dbraw/zinc/42/58/99/840425899.db2.gz KQKOBNDPHQGPNY-PWNYCUMCSA-N -1 0 357.270 -0.453 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@H]1C[C@H]1C(F)(F)F ZINC001182313901 840426151 /nfs/dbraw/zinc/42/61/51/840426151.db2.gz KQKOBNDPHQGPNY-STHAYSLISA-N -1 0 357.270 -0.453 20 0 FBADRM COc1ccc2c(c1)C[C@H](C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)O2 ZINC001182356025 840428700 /nfs/dbraw/zinc/42/87/00/840428700.db2.gz ZAEIHLUMUINIFY-BPTDKIDVSA-N -1 0 356.356 -0.483 20 0 FBADRM COc1ccc2c(c1)C[C@@H](C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)O2 ZINC001182356026 840428734 /nfs/dbraw/zinc/42/87/34/840428734.db2.gz ZAEIHLUMUINIFY-QILRFPOHSA-N -1 0 356.356 -0.483 20 0 FBADRM COCCn1cc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c(=O)cc1C ZINC001182508892 840432611 /nfs/dbraw/zinc/43/26/11/840432611.db2.gz CRQQSFRHKGVQDQ-UHFFFAOYSA-N -1 0 355.376 -0.423 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CC[C@H]2CC[C@@H](C3OCCO3)O2)n[n-]1 ZINC001182523659 840433963 /nfs/dbraw/zinc/43/39/63/840433963.db2.gz BJLIODPWJNQDGI-BDAKNGLRSA-N -1 0 360.392 -0.153 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CC[C@@H]2CC[C@H](C3OCCO3)O2)n[n-]1 ZINC001182523661 840433592 /nfs/dbraw/zinc/43/35/92/840433592.db2.gz BJLIODPWJNQDGI-DTWKUNHWSA-N -1 0 360.392 -0.153 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CC[C@@H]2CC[C@@H](C3OCCO3)O2)n[n-]1 ZINC001182523663 840434253 /nfs/dbraw/zinc/43/42/53/840434253.db2.gz BJLIODPWJNQDGI-IUCAKERBSA-N -1 0 360.392 -0.153 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CC[C@H]2CC[C@H](C3OCCO3)O2)n[n-]1 ZINC001182523664 840433757 /nfs/dbraw/zinc/43/37/57/840433757.db2.gz BJLIODPWJNQDGI-RKDXNWHRSA-N -1 0 360.392 -0.153 20 0 FBADRM CS(=O)(=O)c1nnc(NC(=O)c2ccc(CN3CCOCC3)o2)[n-]1 ZINC001182524619 840434121 /nfs/dbraw/zinc/43/41/21/840434121.db2.gz LAFPBWUTCPZYGY-UHFFFAOYSA-N -1 0 355.376 -0.114 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2=O)n[n-]1 ZINC001182524730 840433564 /nfs/dbraw/zinc/43/35/64/840433564.db2.gz MKLZNBPPFYNFRS-LURJTMIESA-N -1 0 369.325 -0.052 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2=O)n[n-]1 ZINC001182524738 840434217 /nfs/dbraw/zinc/43/42/17/840434217.db2.gz MKLZNBPPFYNFRS-ZCFIWIBFSA-N -1 0 369.325 -0.052 20 0 FBADRM C[C@@H](O)[C@@H](CO)NC(=O)COc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1 ZINC001182541084 840433391 /nfs/dbraw/zinc/43/33/91/840433391.db2.gz DCFVBVPJSUVTHQ-OASPWFOLSA-N -1 0 368.411 -0.183 20 0 FBADRM C[C@@H](O)[C@@H](CO)NC(=O)COc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC001182541085 840433420 /nfs/dbraw/zinc/43/34/20/840433420.db2.gz DCFVBVPJSUVTHQ-WQAKAFBOSA-N -1 0 368.411 -0.183 20 0 FBADRM CN(C[C@H](O)CO)C(=O)COc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC001182547717 840433720 /nfs/dbraw/zinc/43/37/20/840433720.db2.gz LQBCHOBPAIJAAK-AAEUAGOBSA-N -1 0 368.411 -0.229 20 0 FBADRM CN(C[C@@H](O)CO)C(=O)COc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1 ZINC001182547718 840433305 /nfs/dbraw/zinc/43/33/05/840433305.db2.gz LQBCHOBPAIJAAK-DGCLKSJQSA-N -1 0 368.411 -0.229 20 0 FBADRM CN(C[C@H](O)CO)C(=O)COc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1 ZINC001182547719 840434150 /nfs/dbraw/zinc/43/41/50/840434150.db2.gz LQBCHOBPAIJAAK-WCQYABFASA-N -1 0 368.411 -0.229 20 0 FBADRM CN(C[C@@H](O)CO)C(=O)COc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC001182547720 840434193 /nfs/dbraw/zinc/43/41/93/840434193.db2.gz LQBCHOBPAIJAAK-YPMHNXCESA-N -1 0 368.411 -0.229 20 0 FBADRM O=C(COc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)NC[C@@H](O)CO ZINC001182548704 840433943 /nfs/dbraw/zinc/43/39/43/840433943.db2.gz ABOHXRFGULJWFO-PWSUYJOCSA-N -1 0 354.384 -0.571 20 0 FBADRM O=C(COc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)NC[C@@H](O)CO ZINC001182548706 840433548 /nfs/dbraw/zinc/43/35/48/840433548.db2.gz ABOHXRFGULJWFO-ZYHUDNBSSA-N -1 0 354.384 -0.571 20 0 FBADRM NC(=O)CCNC(=O)COc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1 ZINC001182549800 840432492 /nfs/dbraw/zinc/43/24/92/840432492.db2.gz JTBLRLYENJZANV-LLVKDONJSA-N -1 0 351.384 -0.049 20 0 FBADRM NC(=O)CCNC(=O)COc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC001182549802 840432164 /nfs/dbraw/zinc/43/21/64/840432164.db2.gz JTBLRLYENJZANV-NSHDSACASA-N -1 0 351.384 -0.049 20 0 FBADRM Cc1[nH]c2ncccc2c1CC(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001182617269 840434937 /nfs/dbraw/zinc/43/49/37/840434937.db2.gz CPZLJNZHNFOHFW-UFBFGSQYSA-N -1 0 352.372 -0.068 20 0 FBADRM CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001182632321 840434994 /nfs/dbraw/zinc/43/49/94/840434994.db2.gz KQSMAYMMCOKJEH-ZETCQYMHSA-N -1 0 371.437 -0.456 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@H](O)c2ccc3c(c2)CCO3)C(=O)N1S(=O)(=O)[O-] ZINC001182665780 840436374 /nfs/dbraw/zinc/43/63/74/840436374.db2.gz YACSGIAGKXOOHD-CQFDHEJISA-N -1 0 356.356 -0.827 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@@H](O)c2ccc3c(c2)CCO3)C(=O)N1S(=O)(=O)[O-] ZINC001182665782 840436033 /nfs/dbraw/zinc/43/60/33/840436033.db2.gz YACSGIAGKXOOHD-QILRFPOHSA-N -1 0 356.356 -0.827 20 0 FBADRM COc1ccc2c(c1)OCC(C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)=C2 ZINC001182670801 840436410 /nfs/dbraw/zinc/43/64/10/840436410.db2.gz WYYDZXOIQGDJQW-SDBXPKJASA-N -1 0 368.367 -0.011 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)C[C@@H](CO)NC(=O)OC(C)(C)C ZINC001182696251 840437355 /nfs/dbraw/zinc/43/73/55/840437355.db2.gz QOVHAUHZDPZRHI-UWVGGRQHSA-N -1 0 362.379 -0.215 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)CCC1OCCO1 ZINC001182732354 840437535 /nfs/dbraw/zinc/43/75/35/840437535.db2.gz JICZKCGAOKWAKC-NSHDSACASA-N -1 0 354.363 -0.819 20 0 FBADRM C[C@H]1[C@H](NC(=O)Cn2ccc3ccccc3c2=O)C(=O)N1S(=O)(=O)[O-] ZINC001182762830 840437497 /nfs/dbraw/zinc/43/74/97/840437497.db2.gz FKMYBMPMTVVEKG-ZANVPECISA-N -1 0 365.367 -0.480 20 0 FBADRM C[C@@H](C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)c1ccc(C(N)=O)cc1 ZINC001182784954 840438972 /nfs/dbraw/zinc/43/89/72/840438972.db2.gz GWHZCDDDKPZXHR-FYBVGQRMSA-N -1 0 355.372 -0.593 20 0 FBADRM C[C@H](C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)c1ccc(C(N)=O)cc1 ZINC001182784955 840438964 /nfs/dbraw/zinc/43/89/64/840438964.db2.gz GWHZCDDDKPZXHR-LAEOZQHASA-N -1 0 355.372 -0.593 20 0 FBADRM O=C(Nc1cccc2c(=O)cc(-c3nnn[n-]3)oc12)C1CS(=O)(=O)C1 ZINC001182814609 840439886 /nfs/dbraw/zinc/43/98/86/840439886.db2.gz KGYFPWSMUGGGDR-UHFFFAOYSA-N -1 0 361.339 -0.044 20 0 FBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)C2CS(=O)(=O)C2)cc1 ZINC001182815642 840439741 /nfs/dbraw/zinc/43/97/41/840439741.db2.gz LQGWLFJMRUJTFV-UHFFFAOYSA-N -1 0 360.413 -0.712 20 0 FBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)C2CS(=O)(=O)C2)cc1 ZINC001182815806 840439837 /nfs/dbraw/zinc/43/98/37/840439837.db2.gz QGPRTMPYLLBCIA-UHFFFAOYSA-N -1 0 362.385 -0.286 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCS(=O)(=O)[O-] ZINC001182872343 840440815 /nfs/dbraw/zinc/44/08/15/840440815.db2.gz BERNYICLYZRVID-ZETCQYMHSA-N -1 0 356.809 -0.032 20 0 FBADRM C[C@](O)(C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N)c1ccccc1 ZINC001182925776 840442136 /nfs/dbraw/zinc/44/21/36/840442136.db2.gz WBMPDGJTZQMPRQ-CYBMUJFWSA-N -1 0 369.359 -0.744 20 0 FBADRM C[C@@](O)(C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N)c1ccccc1 ZINC001182925786 840441954 /nfs/dbraw/zinc/44/19/54/840441954.db2.gz WBMPDGJTZQMPRQ-ZDUSSCGKSA-N -1 0 369.359 -0.744 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CO)N(C)C(=O)OC(C)(C)C ZINC001182953270 840442841 /nfs/dbraw/zinc/44/28/41/840442841.db2.gz JAQSOMHMWRRLAA-UWVGGRQHSA-N -1 0 362.379 -0.263 20 0 FBADRM C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)Nc1c(N)[nH]c(=O)[nH]c1=O ZINC001182957098 840443335 /nfs/dbraw/zinc/44/33/35/840443335.db2.gz CLYXKKPYEGBRHN-QMMMGPOBSA-N -1 0 367.387 -0.083 20 0 FBADRM N=C(NC(=O)CNC(=O)c1ccc(O)cc1)SCCS(=O)(=O)[O-] ZINC001182972840 840444214 /nfs/dbraw/zinc/44/42/14/840444214.db2.gz HUBWGMYETCBFDQ-UHFFFAOYSA-N -1 0 361.401 -0.206 20 0 FBADRM C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001182975685 840445117 /nfs/dbraw/zinc/44/51/17/840445117.db2.gz CQUSOWXQGLHKKC-QPUJVOFHSA-N -1 0 357.413 -0.080 20 0 FBADRM C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001182975686 840445523 /nfs/dbraw/zinc/44/55/23/840445523.db2.gz CQUSOWXQGLHKKC-UFBFGSQYSA-N -1 0 357.413 -0.080 20 0 FBADRM CCOC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)C1 ZINC001183010602 840444120 /nfs/dbraw/zinc/44/41/20/840444120.db2.gz FXDYDLRQYBQMCD-MMWGEVLESA-N -1 0 362.404 -0.126 20 0 FBADRM CS(=O)(=O)N1CC(C(=O)Nc2nc[n-]c(=O)c2Br)C1 ZINC001183017607 840446473 /nfs/dbraw/zinc/44/64/73/840446473.db2.gz KLVZKCOESZRSJL-UHFFFAOYSA-N -1 0 351.182 -0.225 20 0 FBADRM CNS(=O)(=O)c1ccc(O)c(NC(=O)C2CN(S(C)(=O)=O)C2)c1 ZINC001183022511 840447899 /nfs/dbraw/zinc/44/78/99/840447899.db2.gz AFOLSBRZIXHJEM-UHFFFAOYSA-N -1 0 363.417 -0.870 20 0 FBADRM CN1C[C@@H](C(=O)Nc2ccc(CC(=O)[N-]S(C)(=O)=O)cc2)NC1=O ZINC001183074220 840449051 /nfs/dbraw/zinc/44/90/51/840449051.db2.gz MVWKTSCNKQWSFX-NSHDSACASA-N -1 0 354.388 -0.733 20 0 FBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CN(C)C(=O)N2)cc1 ZINC001183074546 840448960 /nfs/dbraw/zinc/44/89/60/840448960.db2.gz VRFFHGYNIBCKGB-JTQLQIEISA-N -1 0 356.360 -0.307 20 0 FBADRM O=C([N-]n1ccccc1=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC001183085260 840449230 /nfs/dbraw/zinc/44/92/30/840449230.db2.gz IRQLMIGMXBZEDA-UHFFFAOYSA-N -1 0 353.356 -0.154 20 0 FBADRM C[C@H]1[C@H](NC(=O)C(=O)Cc2c[nH]c3ccccc23)C(=O)N1S(=O)(=O)[O-] ZINC001183098616 840449339 /nfs/dbraw/zinc/44/93/39/840449339.db2.gz WYJTWVRTKVKVCX-SDBXPKJASA-N -1 0 365.367 -0.202 20 0 FBADRM CC(=O)OC[C@@H](C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)c1ccccc1 ZINC001183109832 840449199 /nfs/dbraw/zinc/44/91/99/840449199.db2.gz CDTFWSDWQOCARE-BIMULSAOSA-N -1 0 370.383 -0.148 20 0 FBADRM CC(=O)OC[C@H](C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)c1ccccc1 ZINC001183109834 840448974 /nfs/dbraw/zinc/44/89/74/840448974.db2.gz CDTFWSDWQOCARE-XDTLVQLUSA-N -1 0 370.383 -0.148 20 0 FBADRM CC(=O)SC[C@@H](C)C(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001183125011 840449297 /nfs/dbraw/zinc/44/92/97/840449297.db2.gz PQMXQNNOSOOQRH-SCSAIBSYSA-N -1 0 365.393 -0.735 20 0 FBADRM CC(=O)SC[C@@H](C)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001183132244 840449449 /nfs/dbraw/zinc/44/94/49/840449449.db2.gz JYMBJYYJJZUGFA-SKDRFNHKSA-N -1 0 370.431 -0.056 20 0 FBADRM CC(=O)N1CSC[C@H]1C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001183138882 840449471 /nfs/dbraw/zinc/44/94/71/840449471.db2.gz SCRCLGPNKGTJGB-JTQLQIEISA-N -1 0 355.397 -0.021 20 0 FBADRM C[C@@H]1O[C@@H](OCCNC(=O)Cc2ccc([S-])cc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001183192197 840450978 /nfs/dbraw/zinc/45/09/78/840450978.db2.gz NHAVSTIVXKQWFB-LKGZJPOGSA-N -1 0 357.428 -0.522 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)COC(F)(F)F ZINC001183209352 840451677 /nfs/dbraw/zinc/45/16/77/840451677.db2.gz QWJZONZRZHUHAF-QMMMGPOBSA-N -1 0 352.269 -0.436 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)[C@@H](CO)C(F)(F)F ZINC001183288652 840453260 /nfs/dbraw/zinc/45/32/60/840453260.db2.gz VOEOOZYOHZLYRO-BDAKNGLRSA-N -1 0 366.296 -0.801 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)[C@H](CO)C(F)(F)F ZINC001183288663 840452994 /nfs/dbraw/zinc/45/29/94/840452994.db2.gz VOEOOZYOHZLYRO-IUCAKERBSA-N -1 0 366.296 -0.801 20 0 FBADRM C[C@H]1[C@H](NC(=O)Cc2ccc3nc(N)sc3c2)C(=O)N1S(=O)(=O)[O-] ZINC001183301544 840453423 /nfs/dbraw/zinc/45/34/23/840453423.db2.gz ANUGDECWHJUOAW-KGFZYKRKSA-N -1 0 370.412 -0.061 20 0 FBADRM C[C@H]1[C@H](NC(=O)CC2CCC3(CC2)OCCO3)C(=O)N1S(=O)(=O)[O-] ZINC001183341500 840454760 /nfs/dbraw/zinc/45/47/60/840454760.db2.gz XCEGLNDCEYVYKB-CABZTGNLSA-N -1 0 362.404 -0.172 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@@H]2CCc3ccccc3[C@@H]2O)C(=O)N1S(=O)(=O)[O-] ZINC001183389636 840454320 /nfs/dbraw/zinc/45/43/20/840454320.db2.gz DQZVVPPWSOGLTQ-MHNYQROPSA-N -1 0 354.384 -0.199 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@@H]2CCc3ccccc3[C@H]2O)C(=O)N1S(=O)(=O)[O-] ZINC001183389637 840454035 /nfs/dbraw/zinc/45/40/35/840454035.db2.gz DQZVVPPWSOGLTQ-OQCKYNKVSA-N -1 0 354.384 -0.199 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@H]2CCc3ccccc3[C@@H]2O)C(=O)N1S(=O)(=O)[O-] ZINC001183389638 840454292 /nfs/dbraw/zinc/45/42/92/840454292.db2.gz DQZVVPPWSOGLTQ-WTFGDDLMSA-N -1 0 354.384 -0.199 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@H]2CCc3ccccc3[C@H]2O)C(=O)N1S(=O)(=O)[O-] ZINC001183389639 840454683 /nfs/dbraw/zinc/45/46/83/840454683.db2.gz DQZVVPPWSOGLTQ-ZBPZKIAKSA-N -1 0 354.384 -0.199 20 0 FBADRM NC(=O)[C@@H](CO)NC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1[O-] ZINC001183425094 840454244 /nfs/dbraw/zinc/45/42/44/840454244.db2.gz BWPJYYWTPGWWHF-SECBINFHSA-N -1 0 366.761 -0.714 20 0 FBADRM NC(=O)[C@H](CO)NC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1[O-] ZINC001183425095 840454066 /nfs/dbraw/zinc/45/40/66/840454066.db2.gz BWPJYYWTPGWWHF-VIFPVBQESA-N -1 0 366.761 -0.714 20 0 FBADRM O=C(CNC(=O)c1nc(Cl)c2ccccc2c1[O-])NC[C@@H](O)CO ZINC001183425532 840454336 /nfs/dbraw/zinc/45/43/36/840454336.db2.gz IZFQPWYGGQOHFN-MRVPVSSYSA-N -1 0 353.762 -0.207 20 0 FBADRM C[C@@H](O)[C@H]1C(=O)N2C(C(=O)NCc3nnn[n-]3)=C([C@H]3CCCO3)S[C@H]12 ZINC001183462259 840455539 /nfs/dbraw/zinc/45/55/39/840455539.db2.gz SZTNPQANOHYMRL-ZMTWQXKYSA-N -1 0 366.403 -0.881 20 0 FBADRM C[C@]1(O)C=C[C@@H](O)C(C(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)=C1 ZINC001183540272 840456718 /nfs/dbraw/zinc/45/67/18/840456718.db2.gz KSPXJAXGRAEPMP-ABAIWWIYSA-N -1 0 350.352 -0.335 20 0 FBADRM C[C@@]1(O)C=C[C@@H](O)C(C(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)=C1 ZINC001183540275 840456994 /nfs/dbraw/zinc/45/69/94/840456994.db2.gz KSPXJAXGRAEPMP-IAQYHMDHSA-N -1 0 350.352 -0.335 20 0 FBADRM C[C@]1(O)C=C[C@H](O)C(C(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)=C1 ZINC001183540278 840457105 /nfs/dbraw/zinc/45/71/05/840457105.db2.gz KSPXJAXGRAEPMP-NHYWBVRUSA-N -1 0 350.352 -0.335 20 0 FBADRM C[C@@]1(O)C=C[C@H](O)C(C(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)=C1 ZINC001183540280 840456585 /nfs/dbraw/zinc/45/65/85/840456585.db2.gz KSPXJAXGRAEPMP-XHDPSFHLSA-N -1 0 350.352 -0.335 20 0 FBADRM Cc1ccc([C@@H](O)C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1 ZINC001183644727 840459697 /nfs/dbraw/zinc/45/96/97/840459697.db2.gz ULGGLUKWDAQLRZ-SECBINFHSA-N -1 0 369.359 -0.609 20 0 FBADRM CC1(C(=O)NC(=N)SCCS(=O)(=O)[O-])CCS(=O)(=O)CC1 ZINC001183648359 840458949 /nfs/dbraw/zinc/45/89/49/840458949.db2.gz BKZLWJJCFDBUHM-UHFFFAOYSA-N -1 0 358.463 -0.127 20 0 FBADRM CN(C)c1nc(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)c(N=O)c(=O)[nH]1 ZINC001183653187 840459396 /nfs/dbraw/zinc/45/93/96/840459396.db2.gz BEADYNBTTUBFHP-UHFFFAOYSA-N -1 0 353.270 -0.314 20 0 FBADRM O=C(Cn1cc(F)c(=O)[nH]c1=O)Nc1nccnc1N1CCOCC1 ZINC001183654227 840459836 /nfs/dbraw/zinc/45/98/36/840459836.db2.gz FJMAGYQUIQRUCN-UHFFFAOYSA-N -1 0 350.310 -0.647 20 0 FBADRM O=C(Cn1cc(F)c(=O)[nH]c1=O)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001183654263 840459654 /nfs/dbraw/zinc/45/96/54/840459654.db2.gz KIAGOORMLSZGGJ-UHFFFAOYSA-N -1 0 352.244 -0.679 20 0 FBADRM Cc1nc(S(C)(=O)=O)ccc1NC(=O)Cn1cc(F)c(=O)[nH]c1=O ZINC001183654310 840459236 /nfs/dbraw/zinc/45/92/36/840459236.db2.gz LBEGJLLDWACSJY-UHFFFAOYSA-N -1 0 356.335 -0.166 20 0 FBADRM COC(=O)c1ccc(OC)nc1NC(=O)Cn1cc(F)c(=O)[nH]c1=O ZINC001183654857 840459088 /nfs/dbraw/zinc/45/90/88/840459088.db2.gz PERSDWMPJLBYKJ-UHFFFAOYSA-N -1 0 352.278 -0.083 20 0 FBADRM O=C(Cn1cc(F)c(=O)[nH]c1=O)Nc1nc[nH]c(=O)c1Br ZINC001183654918 840459321 /nfs/dbraw/zinc/45/93/21/840459321.db2.gz QCAQMLMEQWKAIJ-UHFFFAOYSA-N -1 0 360.099 -0.015 20 0 FBADRM O=C(Cn1cc(F)c(=O)[nH]c1=O)N1CCN(c2nccnc2Cl)CC1 ZINC001183655304 840462074 /nfs/dbraw/zinc/46/20/74/840462074.db2.gz SGLBGYVROFESMB-UHFFFAOYSA-N -1 0 368.756 -0.120 20 0 FBADRM CN(C)C(=O)[C@@H]1CC12CCN(C(=O)Cn1cc(F)c(=O)[nH]c1=O)CC2 ZINC001183655640 840462255 /nfs/dbraw/zinc/46/22/55/840462255.db2.gz ARFYBXOFNPTKCV-JTQLQIEISA-N -1 0 352.366 -0.195 20 0 FBADRM CN(C)C(=O)[C@H]1CC12CCN(C(=O)Cn1cc(F)c(=O)[nH]c1=O)CC2 ZINC001183655641 840462571 /nfs/dbraw/zinc/46/25/71/840462571.db2.gz ARFYBXOFNPTKCV-SNVBAGLBSA-N -1 0 352.366 -0.195 20 0 FBADRM O=C(Cn1cc(F)c(=O)[nH]c1=O)N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001183655839 840462447 /nfs/dbraw/zinc/46/24/47/840462447.db2.gz DHBJAESIDJFQLA-CYZMBNFOSA-N -1 0 353.350 -0.260 20 0 FBADRM O=C(Cn1cc(F)c(=O)[nH]c1=O)Nc1cncc(N2CCOCC2)n1 ZINC001183655892 840462552 /nfs/dbraw/zinc/46/25/52/840462552.db2.gz UOVYUMDSABPIOR-UHFFFAOYSA-N -1 0 350.310 -0.647 20 0 FBADRM O=C(Cn1cc(F)c(=O)[nH]c1=O)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001183655932 840462481 /nfs/dbraw/zinc/46/24/81/840462481.db2.gz VQIYAYFBELNUSQ-UHFFFAOYSA-N -1 0 362.243 -0.259 20 0 FBADRM O=C(Cn1cc(F)c(=O)[nH]c1=O)N1CC2CC1(C(=O)N1CCCC1)C2 ZINC001183656839 840462337 /nfs/dbraw/zinc/46/23/37/840462337.db2.gz LFTJOLBKUBCSNE-UHFFFAOYSA-N -1 0 350.350 -0.299 20 0 FBADRM CCOC(=O)[C@@H]1CCN(C(=O)Cn2cc(F)c(=O)[nH]c2=O)CCC1=O ZINC001183656906 840462430 /nfs/dbraw/zinc/46/24/30/840462430.db2.gz MKUWEUYHXYIDNQ-SECBINFHSA-N -1 0 355.322 -0.541 20 0 FBADRM CCOC(=O)[C@H]1CCN(C(=O)Cn2cc(F)c(=O)[nH]c2=O)CCC1=O ZINC001183656907 840462163 /nfs/dbraw/zinc/46/21/63/840462163.db2.gz MKUWEUYHXYIDNQ-VIFPVBQESA-N -1 0 355.322 -0.541 20 0 FBADRM COC[C@@H]1CN(C(=O)Cn2cc(F)c(=O)[nH]c2=O)Cc2cn(C)nc21 ZINC001183658087 840461944 /nfs/dbraw/zinc/46/19/44/840461944.db2.gz STWNLQKCTXOWDM-JTQLQIEISA-N -1 0 351.338 -0.406 20 0 FBADRM COC[C@H]1CN(C(=O)Cn2cc(F)c(=O)[nH]c2=O)Cc2cn(C)nc21 ZINC001183658088 840462280 /nfs/dbraw/zinc/46/22/80/840462280.db2.gz STWNLQKCTXOWDM-SNVBAGLBSA-N -1 0 351.338 -0.406 20 0 FBADRM CCN1CC[C@@]2(CN(C(=O)Cn3cc(F)c(=O)[nH]c3=O)C[C@@H]2C)C1=O ZINC001183659077 840462585 /nfs/dbraw/zinc/46/25/85/840462585.db2.gz ZZIZQPYTXCGAIQ-QFYYESIMSA-N -1 0 352.366 -0.195 20 0 FBADRM COC(=O)c1cn2c(n1)CN(C(=O)Cn1cc(F)c(=O)[nH]c1=O)CC2 ZINC001183659801 840461970 /nfs/dbraw/zinc/46/19/70/840461970.db2.gz GZIYZDAKGQKZIX-UHFFFAOYSA-N -1 0 351.294 -0.887 20 0 FBADRM O=C(Cn1cc(F)c(=O)[nH]c1=O)N1CCC(N2CCCOC2=O)CC1 ZINC001183659865 840462174 /nfs/dbraw/zinc/46/21/74/840462174.db2.gz HQSZYZFXTYTJIU-UHFFFAOYSA-N -1 0 354.338 -0.079 20 0 FBADRM O=C(Cn1cc(F)c(=O)[nH]c1=O)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001183659884 840461931 /nfs/dbraw/zinc/46/19/31/840461931.db2.gz IBCFHDHWMGDHCS-CMPLNLGQSA-N -1 0 358.345 -0.641 20 0 FBADRM O=C(Cn1cc(F)c(=O)[nH]c1=O)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001183660017 840462151 /nfs/dbraw/zinc/46/21/51/840462151.db2.gz MKYJXFPYFKPVMT-UHFFFAOYSA-N -1 0 352.322 -0.867 20 0 FBADRM CCS(=O)(=O)NC1CCN(C(=O)Cn2cc(F)c(=O)[nH]c2=O)CC1 ZINC001183660032 840462292 /nfs/dbraw/zinc/46/22/92/840462292.db2.gz MWSIAFMXWGUPDB-UHFFFAOYSA-N -1 0 362.383 -0.982 20 0 FBADRM CCNC(=O)CO[C@H]1CCCN(C(=O)Cn2cc(F)c(=O)[nH]c2=O)C1 ZINC001183660121 840462350 /nfs/dbraw/zinc/46/23/50/840462350.db2.gz QPQXMNYHVABFDH-JTQLQIEISA-N -1 0 356.354 -0.768 20 0 FBADRM CCNC(=O)CO[C@@H]1CCCN(C(=O)Cn2cc(F)c(=O)[nH]c2=O)C1 ZINC001183660122 840462502 /nfs/dbraw/zinc/46/25/02/840462502.db2.gz QPQXMNYHVABFDH-SNVBAGLBSA-N -1 0 356.354 -0.768 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1NC(=O)Cn1cc(F)c(=O)[nH]c1=O ZINC001183660221 840461878 /nfs/dbraw/zinc/46/18/78/840461878.db2.gz BDXKRMUPTYDWFL-UHFFFAOYSA-N -1 0 370.362 -0.023 20 0 FBADRM CNS(=O)(=O)c1ccc(O)c(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)c1 ZINC001183660247 840461908 /nfs/dbraw/zinc/46/19/08/840461908.db2.gz CHAGAAYQNYZYPF-UHFFFAOYSA-N -1 0 372.334 -0.660 20 0 FBADRM Nc1ccc(COCCO)c(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)c1 ZINC001183660916 840462043 /nfs/dbraw/zinc/46/20/43/840462043.db2.gz KQZOIEXEOISRNI-UHFFFAOYSA-N -1 0 352.322 -0.182 20 0 FBADRM CS(=O)(=O)N(C(=O)Cn1cc(F)c(=O)[nH]c1=O)c1cccc(N)c1 ZINC001183661328 840462409 /nfs/dbraw/zinc/46/24/09/840462409.db2.gz SHCRHRMZARRPKZ-UHFFFAOYSA-N -1 0 356.335 -0.337 20 0 FBADRM CS(=O)(=O)c1ccc(CNC(=O)Cn2cc(F)c(=O)[nH]c2=O)nc1 ZINC001183661554 840462513 /nfs/dbraw/zinc/46/25/13/840462513.db2.gz ABESQLQAMHMUTM-UHFFFAOYSA-N -1 0 356.335 -0.797 20 0 FBADRM CCOC(=O)C(=CNC(=O)Cn1cc(F)c(=O)[nH]c1=O)C(=O)OCC ZINC001183661566 840462365 /nfs/dbraw/zinc/46/23/65/840462365.db2.gz ADZJCZYFDSDUDS-UHFFFAOYSA-N -1 0 357.294 -0.786 20 0 FBADRM O=C(Cn1cc(F)c(=O)[nH]c1=O)NCc1cc(OC2COC2)ccn1 ZINC001183661568 840461983 /nfs/dbraw/zinc/46/19/83/840461983.db2.gz AHGDKUDGRQSZBY-UHFFFAOYSA-N -1 0 350.306 -0.423 20 0 FBADRM COCCOc1nccc(CNC(=O)Cn2cc(F)c(=O)[nH]c2=O)n1 ZINC001183665325 840461034 /nfs/dbraw/zinc/46/10/34/840461034.db2.gz VRLJJXORACTEJC-UHFFFAOYSA-N -1 0 353.310 -0.780 20 0 FBADRM O=C(CNC(=O)Cn1cc(F)c(=O)[nH]c1=O)NCc1ccc(F)cc1 ZINC001183665419 840461206 /nfs/dbraw/zinc/46/12/06/840461206.db2.gz ZVTCMYNUVPXDKU-UHFFFAOYSA-N -1 0 352.297 -0.340 20 0 FBADRM COC(=O)[C@@H](Cc1cccnc1)NC(=O)Cn1cc(F)c(=O)[nH]c1=O ZINC001183665769 840461082 /nfs/dbraw/zinc/46/10/82/840461082.db2.gz KTRUZBXKFZIVBA-LLVKDONJSA-N -1 0 350.306 -0.617 20 0 FBADRM Cn1ncc(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)c(Br)c1=O ZINC001183666569 840460585 /nfs/dbraw/zinc/46/05/85/840460585.db2.gz RRCGNXVHBYTBHI-UHFFFAOYSA-N -1 0 374.126 -0.417 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)Cc1ccc(CO)cc1 ZINC001183686446 840460852 /nfs/dbraw/zinc/46/08/52/840460852.db2.gz JNTVVMZYYNWYOI-UHFFFAOYSA-N -1 0 369.359 -0.916 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@H]1C[C@]12CCCOC2 ZINC001183688079 840462530 /nfs/dbraw/zinc/46/25/30/840462530.db2.gz WAFVUMACNYBRJW-INWYIAFRSA-N -1 0 359.364 -0.835 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@@H]1C[C@@]12CCCOC2 ZINC001183688109 840461923 /nfs/dbraw/zinc/46/19/23/840461923.db2.gz WAFVUMACNYBRJW-PWCHPLFNSA-N -1 0 359.364 -0.835 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@@H]1C[C@]12CCCOC2 ZINC001183688110 840462233 /nfs/dbraw/zinc/46/22/33/840462233.db2.gz WAFVUMACNYBRJW-QTTZVWFDSA-N -1 0 359.364 -0.835 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@H]1C[C@@]12CCCOC2 ZINC001183688112 840462185 /nfs/dbraw/zinc/46/21/85/840462185.db2.gz WAFVUMACNYBRJW-SREIQFSDSA-N -1 0 359.364 -0.835 20 0 FBADRM CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(=O)OC(C)(C)C)[C@@H](C)O ZINC001183698007 840462066 /nfs/dbraw/zinc/46/20/66/840462066.db2.gz DPVCERGADPQBLB-USWWRNFRSA-N -1 0 357.407 -0.086 20 0 FBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)cc1 ZINC001183699913 840465845 /nfs/dbraw/zinc/46/58/45/840465845.db2.gz CEUHPOJTVUZBHB-PELKAZGASA-N -1 0 373.387 -0.445 20 0 FBADRM CC(=O)N[C@H](C(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1)[C@@H](C)O ZINC001183700056 840463536 /nfs/dbraw/zinc/46/35/36/840463536.db2.gz KMCRSIXGMZRFSO-OTYXRUKQSA-N -1 0 371.415 -0.871 20 0 FBADRM Cc1cc(C)c(NC(=O)C[C@@H]2NC(=O)CNC2=O)c(S(=O)(=O)[O-])c1 ZINC001183726562 840464749 /nfs/dbraw/zinc/46/47/49/840464749.db2.gz GQPYQDWAGILSDY-VIFPVBQESA-N -1 0 355.372 -0.507 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@@H]2CCN2Cc2ccccc2)C(=O)N1S(=O)(=O)[O-] ZINC001183751717 840466346 /nfs/dbraw/zinc/46/63/46/840466346.db2.gz FRMXZQGZLQXDGG-DRZSPHRISA-N -1 0 353.400 -0.221 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@H]2CCN2Cc2ccccc2)C(=O)N1S(=O)(=O)[O-] ZINC001183751718 840465869 /nfs/dbraw/zinc/46/58/69/840465869.db2.gz FRMXZQGZLQXDGG-UHTWSYAYSA-N -1 0 353.400 -0.221 20 0 FBADRM CN(CC(=O)N[C@@H]1CO[N-]C1=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814717 840466210 /nfs/dbraw/zinc/46/62/10/840466210.db2.gz IQKUXJQVPXQHBR-NWDGAFQWSA-N -1 0 356.423 -0.136 20 0 FBADRM CN(CC(=O)N[C@@H]1CO[N-]C1=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814718 840466119 /nfs/dbraw/zinc/46/61/19/840466119.db2.gz IQKUXJQVPXQHBR-VXGBXAGGSA-N -1 0 356.423 -0.136 20 0 FBADRM CC1(CC(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)CCOCC1 ZINC001183820665 840466508 /nfs/dbraw/zinc/46/65/08/840466508.db2.gz ALRGVOHPYXJLIK-UHFFFAOYSA-N -1 0 361.380 -0.444 20 0 FBADRM Nc1[nH]c(=O)[nH]c(=O)c1NC(=O)COc1ccc(OCC(=O)[O-])cc1 ZINC001183902159 840467549 /nfs/dbraw/zinc/46/75/49/840467549.db2.gz GZUMUJAKHITNDL-UHFFFAOYSA-N -1 0 350.287 -0.049 20 0 FBADRM CS(=O)(=O)N1CCN(C(=O)COc2ccc(OCC(=O)[O-])cc2)CC1 ZINC001183906081 840467686 /nfs/dbraw/zinc/46/76/86/840467686.db2.gz HVUDZYFIXCMEPW-UHFFFAOYSA-N -1 0 372.399 -0.367 20 0 FBADRM CS(=O)(=O)NC1CN(C(=O)COc2ccc(OCC(=O)[O-])cc2)C1 ZINC001183906932 840467200 /nfs/dbraw/zinc/46/72/00/840467200.db2.gz QJNICHWOVPPFBO-UHFFFAOYSA-N -1 0 358.372 -0.711 20 0 FBADRM CS(=O)(=O)N1CC(NC(=O)COc2ccc(OCC(=O)[O-])cc2)C1 ZINC001183910125 840468931 /nfs/dbraw/zinc/46/89/31/840468931.db2.gz NUVYWBAIJDYESP-UHFFFAOYSA-N -1 0 358.372 -0.711 20 0 FBADRM CN(C)S(=O)(=O)CCNC(=O)COc1ccc(OCC(=O)[O-])cc1 ZINC001183910209 840469249 /nfs/dbraw/zinc/46/92/49/840469249.db2.gz PZTOHSDYMVEMIC-UHFFFAOYSA-N -1 0 360.388 -0.464 20 0 FBADRM O=C([O-])COc1ccc(OCC(=O)NCCN2CCCS2(=O)=O)cc1 ZINC001183912577 840468847 /nfs/dbraw/zinc/46/88/47/840468847.db2.gz GPYHIMRERXFACH-UHFFFAOYSA-N -1 0 372.399 -0.320 20 0 FBADRM O=C([O-])COc1ccc(OCC(=O)NCCN2CC3(COC3)C2)cc1 ZINC001183912885 840468438 /nfs/dbraw/zinc/46/84/38/840468438.db2.gz ZMFIREJQULQFGU-UHFFFAOYSA-N -1 0 350.371 -0.023 20 0 FBADRM CC(C)C[C@@](C)(O)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001183969598 840469037 /nfs/dbraw/zinc/46/90/37/840469037.db2.gz JZOFBNAAXXBMAO-BLLLJJGKSA-N -1 0 354.407 -0.175 20 0 FBADRM CC(C)C[C@](C)(O)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001183969605 840468631 /nfs/dbraw/zinc/46/86/31/840468631.db2.gz JZOFBNAAXXBMAO-LRDDRELGSA-N -1 0 354.407 -0.175 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)C1=Cc2ccccc2C1 ZINC001183975286 840469098 /nfs/dbraw/zinc/46/90/98/840469098.db2.gz WIEQZMWWNJBDQF-UHFFFAOYSA-N -1 0 363.355 -0.012 20 0 FBADRM C[C@H]1[C@H](NC(=O)Cc2noc3cc(O)ccc23)C(=O)N1S(=O)(=O)[O-] ZINC001183989857 840469211 /nfs/dbraw/zinc/46/92/11/840469211.db2.gz ABGRIGYEXKLQDD-QTTZVWFDSA-N -1 0 355.328 -0.406 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)C[C@@H](O)C(F)(F)F ZINC001184038573 840470273 /nfs/dbraw/zinc/47/02/73/840470273.db2.gz MKNWRTQRBYUQHS-DTWKUNHWSA-N -1 0 366.296 -0.659 20 0 FBADRM C[C@@H]1NC(=O)[C@H](CCC(=O)Nc2nc[n-]c(=O)c2Br)NC1=O ZINC001184063382 840470154 /nfs/dbraw/zinc/47/01/54/840470154.db2.gz LQKHNXDHYKEPDJ-WDSKDSINSA-N -1 0 372.179 -0.334 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@H]1CCCC[C@H]1CO ZINC001184153367 840472656 /nfs/dbraw/zinc/47/26/56/840472656.db2.gz FJJXFXYDEPXDMI-BQBZGAKWSA-N -1 0 361.380 -0.853 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@@H]1CCCC[C@H]1CO ZINC001184153370 840472585 /nfs/dbraw/zinc/47/25/85/840472585.db2.gz FJJXFXYDEPXDMI-NKWVEPMBSA-N -1 0 361.380 -0.853 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@@H]1CCCC[C@@H]1CO ZINC001184153372 840473026 /nfs/dbraw/zinc/47/30/26/840473026.db2.gz FJJXFXYDEPXDMI-RNFRBKRXSA-N -1 0 361.380 -0.853 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@H]1CCCC[C@@H]1CO ZINC001184153373 840472826 /nfs/dbraw/zinc/47/28/26/840472826.db2.gz FJJXFXYDEPXDMI-RQJHMYQMSA-N -1 0 361.380 -0.853 20 0 FBADRM CCOC(=O)[C@H](C)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001184227205 840474245 /nfs/dbraw/zinc/47/42/45/840474245.db2.gz DLLQBFLUEOSRCY-KOLCDFICSA-N -1 0 354.363 -0.773 20 0 FBADRM CCOC(=O)[C@@H](C)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001184227206 840474033 /nfs/dbraw/zinc/47/40/33/840474033.db2.gz DLLQBFLUEOSRCY-ONGXEEELSA-N -1 0 354.363 -0.773 20 0 FBADRM COc1cc(CC(=O)C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)ccc1O ZINC001184255929 840475391 /nfs/dbraw/zinc/47/53/91/840475391.db2.gz STGGSZZAKRANCN-MADCSZMMSA-N -1 0 372.355 -0.969 20 0 FBADRM C[C@H](C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N)c1ccc(O)cc1 ZINC001184277035 840475484 /nfs/dbraw/zinc/47/54/84/840475484.db2.gz ITFDRCVCAIVGNX-LURJTMIESA-N -1 0 369.359 -0.142 20 0 FBADRM C[C@@H](C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N)c1ccc(O)cc1 ZINC001184277038 840475111 /nfs/dbraw/zinc/47/51/11/840475111.db2.gz ITFDRCVCAIVGNX-ZCFIWIBFSA-N -1 0 369.359 -0.142 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@H](O)Cc2c[nH]c3ccccc23)C(=O)N1S(=O)(=O)[O-] ZINC001184303930 840475602 /nfs/dbraw/zinc/47/56/02/840475602.db2.gz JHHKRDNIJZDHEB-CKLFPEKLSA-N -1 0 367.383 -0.410 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@@H](O)Cc2c[nH]c3ccccc23)C(=O)N1S(=O)(=O)[O-] ZINC001184303931 840475765 /nfs/dbraw/zinc/47/57/65/840475765.db2.gz JHHKRDNIJZDHEB-HJIKLVIJSA-N -1 0 367.383 -0.410 20 0 FBADRM CN1C(=O)CC[C@H]1C(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1 ZINC001184309024 840475439 /nfs/dbraw/zinc/47/54/39/840475439.db2.gz OAGZFRCDWYMSNY-LBPRGKRZSA-N -1 0 353.400 -0.136 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC001184413605 840477583 /nfs/dbraw/zinc/47/75/83/840477583.db2.gz XLLDKBABQJWHPG-LBPRGKRZSA-N -1 0 372.399 -0.170 20 0 FBADRM CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001184423592 840478645 /nfs/dbraw/zinc/47/86/45/840478645.db2.gz XJTIEXSJMMOQEO-OLUVUFQESA-N -1 0 365.367 -0.840 20 0 FBADRM CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001184423593 840478605 /nfs/dbraw/zinc/47/86/05/840478605.db2.gz XJTIEXSJMMOQEO-PUYPPJJSSA-N -1 0 365.367 -0.840 20 0 FBADRM CC(C)OC(=O)CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001184451084 840478455 /nfs/dbraw/zinc/47/84/55/840478455.db2.gz WZOMNAMNBSGXDL-NSHDSACASA-N -1 0 354.363 -0.630 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)CC(=O)C(F)(F)F ZINC001184465761 840480218 /nfs/dbraw/zinc/48/02/18/840480218.db2.gz ZRDPBIBEXWMDLB-QMMMGPOBSA-N -1 0 364.280 -0.451 20 0 FBADRM C[C@H]1[C@H](NC(=O)Cn2c(=O)[nH]c3cc(F)ccc32)C(=O)N1S(=O)(=O)[O-] ZINC001184517868 840480304 /nfs/dbraw/zinc/48/03/04/840480304.db2.gz MPMXUFMGHQZRFC-KGFZYKRKSA-N -1 0 372.334 -0.601 20 0 FBADRM COCCC1(C(=O)N[C@@H]2SC(=O)[N-]C2=O)CCS(=O)(=O)CC1 ZINC001184558711 840479954 /nfs/dbraw/zinc/47/99/54/840479954.db2.gz AEIQOZNTAKHQSF-SECBINFHSA-N -1 0 350.418 -0.357 20 0 FBADRM COCCC1(C(=O)N[C@H]2SC(=O)[N-]C2=O)CCS(=O)(=O)CC1 ZINC001184558713 840480187 /nfs/dbraw/zinc/48/01/87/840480187.db2.gz AEIQOZNTAKHQSF-VIFPVBQESA-N -1 0 350.418 -0.357 20 0 FBADRM Cc1ccc(C)c(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)n1 ZINC001184578054 840481131 /nfs/dbraw/zinc/48/11/31/840481131.db2.gz SVHSWDDLAKDKTH-UHFFFAOYSA-N -1 0 354.348 -0.591 20 0 FBADRM COC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184728214 840482495 /nfs/dbraw/zinc/48/24/95/840482495.db2.gz NJQGQONHHVFSGB-VIFPVBQESA-N -1 0 358.372 -0.351 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)cc1C(=O)[O-] ZINC001184734632 840482546 /nfs/dbraw/zinc/48/25/46/840482546.db2.gz OUUUCLZQSLFSRO-IUCAKERBSA-N -1 0 357.388 -0.650 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@H]1CC[C@H](CO)CC1 ZINC001184747984 840482839 /nfs/dbraw/zinc/48/28/39/840482839.db2.gz AGTNOLDWEOBDHW-LJGSYFOKSA-N -1 0 361.380 -0.853 20 0 FBADRM C[C@H]1[C@H](NS(=O)(=O)c2cccnc2Cl)C(=O)N1S(=O)(=O)[O-] ZINC001184889594 840483985 /nfs/dbraw/zinc/48/39/85/840483985.db2.gz QKRCQBYFYYUVKL-FSPLSTOPSA-N -1 0 355.781 -0.585 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)C(=O)N1S(=O)(=O)[O-] ZINC001184905231 840485306 /nfs/dbraw/zinc/48/53/06/840485306.db2.gz VOCFNLKCDAJIGV-CIUDSAMLSA-N -1 0 373.353 -0.221 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)C(=O)N1S(=O)(=O)[O-] ZINC001184905235 840485225 /nfs/dbraw/zinc/48/52/25/840485225.db2.gz VOCFNLKCDAJIGV-YIZRAAEISA-N -1 0 373.353 -0.221 20 0 FBADRM CCOC(=O)c1sc(S(=O)(=O)[N-]C2CS(=O)(=O)C2)nc1C ZINC001184916020 840485370 /nfs/dbraw/zinc/48/53/70/840485370.db2.gz CQDTVSSLTPYIBM-UHFFFAOYSA-N -1 0 354.431 -0.296 20 0 FBADRM CCOC(=O)c1sc(S(=O)(=O)[N-]CCN2CCNC2=O)nc1C ZINC001184916304 840485106 /nfs/dbraw/zinc/48/51/06/840485106.db2.gz GYTHNDIVHUCUEE-UHFFFAOYSA-N -1 0 362.433 -0.068 20 0 FBADRM CCOC(=O)c1sc(S(=O)(=O)[N-]CCS(C)(=O)=O)nc1C ZINC001184917768 840485394 /nfs/dbraw/zinc/48/53/94/840485394.db2.gz RTIXMUVNTOXVEC-UHFFFAOYSA-N -1 0 356.447 -0.049 20 0 FBADRM CCOC(=O)c1sc(S(=O)(=O)[N-]C[C@H]2CNC(=O)CO2)nc1C ZINC001184975038 840486026 /nfs/dbraw/zinc/48/60/26/840486026.db2.gz NODSGKRFCASYSQ-MRVPVSSYSA-N -1 0 363.417 -0.578 20 0 FBADRM CCOC(=O)c1sc(S(=O)(=O)[N-]C[C@@H]2CNC(=O)CO2)nc1C ZINC001184975039 840486110 /nfs/dbraw/zinc/48/61/10/840486110.db2.gz NODSGKRFCASYSQ-QMMMGPOBSA-N -1 0 363.417 -0.578 20 0 FBADRM CCOC(=O)c1sc(S(=O)(=O)[N-]CCN2CC[C@@H](O)C2)nc1C ZINC001184975072 840485960 /nfs/dbraw/zinc/48/59/60/840485960.db2.gz OQSUYBJFCYFPKO-SNVBAGLBSA-N -1 0 363.461 -0.027 20 0 FBADRM CCOC(=O)c1sc(S(=O)(=O)[N-][C@@H](C(=O)OC)[C@@H](C)O)nc1C ZINC001184975296 840486554 /nfs/dbraw/zinc/48/65/54/840486554.db2.gz QVKSBTSKCDDENH-HTQZYQBOSA-N -1 0 366.417 -0.171 20 0 FBADRM CCOC(=O)c1sc(S(=O)(=O)[N-][C@H](CO)C(=O)OC)nc1C ZINC001184976302 840485949 /nfs/dbraw/zinc/48/59/49/840485949.db2.gz IZAWALUXRHGXHM-SSDOTTSWSA-N -1 0 352.390 -0.560 20 0 FBADRM CCOC(=O)c1sc(S(=O)(=O)[N-][C@@H](CO)C(=O)OCC)nc1C ZINC001184976412 840486230 /nfs/dbraw/zinc/48/62/30/840486230.db2.gz LYFGHMQULMMRNJ-QMMMGPOBSA-N -1 0 366.417 -0.169 20 0 FBADRM CCOC(=O)c1sc(S(=O)(=O)[N-][C@H](C(=O)OC)[C@@H](C)O)nc1C ZINC001184976587 840486568 /nfs/dbraw/zinc/48/65/68/840486568.db2.gz QVKSBTSKCDDENH-SFYZADRCSA-N -1 0 366.417 -0.171 20 0 FBADRM CCOC(=O)c1sc(S(=O)(=O)[N-]C2(C(=O)OC)COC2)nc1C ZINC001184977953 840486382 /nfs/dbraw/zinc/48/63/82/840486382.db2.gz MHMNBJOILJLKQQ-UHFFFAOYSA-N -1 0 364.401 -0.151 20 0 FBADRM CCOC(=O)c1sc(S(=O)(=O)[N-][C@@H]2CCC(=O)NC2=O)nc1C ZINC001184978156 840486428 /nfs/dbraw/zinc/48/64/28/840486428.db2.gz QCFDLSRRRBHTOF-SSDOTTSWSA-N -1 0 361.401 -0.288 20 0 FBADRM CCOC(=O)c1sc(S(=O)(=O)[N-][C@H]2CCC(=O)NC2=O)nc1C ZINC001184978157 840486725 /nfs/dbraw/zinc/48/67/25/840486725.db2.gz QCFDLSRRRBHTOF-ZETCQYMHSA-N -1 0 361.401 -0.288 20 0 FBADRM CCOC(=O)c1sc(S(=O)(=O)[N-]CCN2C(=O)C=CC2=O)nc1C ZINC001184979000 840486173 /nfs/dbraw/zinc/48/61/73/840486173.db2.gz ZUGHETDPHTWANK-UHFFFAOYSA-N -1 0 373.412 -0.168 20 0 FBADRM CCOC(=O)c1sc(S(=O)(=O)[N-]C2CN(C3COC3)C2)nc1C ZINC001184987686 840486263 /nfs/dbraw/zinc/48/62/63/840486263.db2.gz GUDPXXYUZJDYSK-UHFFFAOYSA-N -1 0 361.445 -0.010 20 0 FBADRM CCOC(=O)c1sc(S(=O)(=O)[N-]C[C@H]2CC(=O)NC2=O)nc1C ZINC001184989293 840486367 /nfs/dbraw/zinc/48/63/67/840486367.db2.gz RUPWIBKIDDCZII-SSDOTTSWSA-N -1 0 361.401 -0.431 20 0 FBADRM CCOC(=O)c1sc(S(=O)(=O)[N-]C[C@@H]2CC(=O)NC2=O)nc1C ZINC001184989299 840486482 /nfs/dbraw/zinc/48/64/82/840486482.db2.gz RUPWIBKIDDCZII-ZETCQYMHSA-N -1 0 361.401 -0.431 20 0 FBADRM C[C@H]1[C@H](NS(=O)(=O)Cc2cc(F)cc(F)c2)C(=O)N1S(=O)(=O)[O-] ZINC001185152861 840488968 /nfs/dbraw/zinc/48/89/68/840488968.db2.gz HGFOHSDRWCGZOC-WKEGUHRASA-N -1 0 370.355 -0.214 20 0 FBADRM CSc1ncc([O-])c(C(=O)N2CCn3c(CNC(C)=O)nnc3C2)n1 ZINC001185177842 840488631 /nfs/dbraw/zinc/48/86/31/840488631.db2.gz SUJWBLTUOBTIDP-UHFFFAOYSA-N -1 0 363.403 -0.212 20 0 FBADRM CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1nc(SC)ncc1[O-] ZINC001185178316 840488668 /nfs/dbraw/zinc/48/86/68/840488668.db2.gz WOAAYDVFWHSDBG-MRVPVSSYSA-N -1 0 354.388 -0.202 20 0 FBADRM CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1nc(SC)ncc1[O-] ZINC001185178317 840488187 /nfs/dbraw/zinc/48/81/87/840488187.db2.gz WOAAYDVFWHSDBG-QMMMGPOBSA-N -1 0 354.388 -0.202 20 0 FBADRM CSc1ncc([O-])c(C(=O)NCCOCCN2C(=O)C=CC2=O)n1 ZINC001185187874 840488411 /nfs/dbraw/zinc/48/84/11/840488411.db2.gz MFRBTKNQXJULIH-UHFFFAOYSA-N -1 0 352.372 -0.425 20 0 FBADRM CSc1ncc([O-])c(C(=O)NCCCN2CCS(=O)(=O)CC2)n1 ZINC001185187967 840488858 /nfs/dbraw/zinc/48/88/58/840488858.db2.gz QFGYPFKIPZQNPK-UHFFFAOYSA-N -1 0 360.461 -0.246 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cnc(C2CC2)o1 ZINC001185196252 840488929 /nfs/dbraw/zinc/48/89/29/840488929.db2.gz FMHUGYRAZQCUTM-UHFFFAOYSA-N -1 0 356.320 -0.738 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCN(C[C@H]3CCOC3)CC2)n[nH]1 ZINC001185240578 840488804 /nfs/dbraw/zinc/48/88/04/840488804.db2.gz JMRMTOJOIBUREF-LLVKDONJSA-N -1 0 358.420 -0.461 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCN(C[C@@H]3CCOC3)CC2)n[nH]1 ZINC001185240579 840488498 /nfs/dbraw/zinc/48/84/98/840488498.db2.gz JMRMTOJOIBUREF-NSHDSACASA-N -1 0 358.420 -0.461 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)C12CCC(O)(CC1)CC2 ZINC001185272479 840491269 /nfs/dbraw/zinc/49/12/69/840491269.db2.gz VYMKQURRFOOLGN-UHFFFAOYSA-N -1 0 373.391 -0.566 20 0 FBADRM CCN1C(=O)CN(S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)CC1=O ZINC001185277740 840491862 /nfs/dbraw/zinc/49/18/62/840491862.db2.gz HTBCDUOQYQFTCV-UHFFFAOYSA-N -1 0 356.356 -0.227 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC(=O)N(C3CC3)C(=O)C2)cc1C(=O)[O-] ZINC001185279170 840491816 /nfs/dbraw/zinc/49/18/16/840491816.db2.gz VSCHUPVVEHOSCL-UHFFFAOYSA-N -1 0 368.367 -0.085 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC(N3CCNC(=O)C3)C2)cc1C(=O)[O-] ZINC001185295930 840492095 /nfs/dbraw/zinc/49/20/95/840492095.db2.gz OUJGQBIWSIYRET-UHFFFAOYSA-N -1 0 369.399 -0.802 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCN3C(=O)COC[C@@H]3C2)cc1C(=O)[O-] ZINC001185296685 840492064 /nfs/dbraw/zinc/49/20/64/840492064.db2.gz DISOXQWGBZGJCM-JTQLQIEISA-N -1 0 370.383 -0.375 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCN3C(=O)COC[C@H]3C2)cc1C(=O)[O-] ZINC001185296686 840491356 /nfs/dbraw/zinc/49/13/56/840491356.db2.gz DISOXQWGBZGJCM-SNVBAGLBSA-N -1 0 370.383 -0.375 20 0 FBADRM COC(=O)[C@H]1CN(C)CCN1S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185297752 840491438 /nfs/dbraw/zinc/49/14/38/840491438.db2.gz BBNMWAVIIAPAIN-GFCCVEGCSA-N -1 0 372.399 -0.129 20 0 FBADRM COC(=O)[C@@H]1CN(C)CCN1S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185297756 840491664 /nfs/dbraw/zinc/49/16/64/840491664.db2.gz BBNMWAVIIAPAIN-LBPRGKRZSA-N -1 0 372.399 -0.129 20 0 FBADRM COc1ccc(S(=O)(=O)N2CCN(CC(N)=O)CC2)cc1C(=O)[O-] ZINC001185297951 840491598 /nfs/dbraw/zinc/49/15/98/840491598.db2.gz LBKYYYBVBWUUJU-UHFFFAOYSA-N -1 0 357.388 -0.815 20 0 FBADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)CCN1C ZINC001185298043 840491873 /nfs/dbraw/zinc/49/18/73/840491873.db2.gz OPRFEYSKCQWOOS-GFCCVEGCSA-N -1 0 372.399 -0.129 20 0 FBADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)CCN1C ZINC001185298044 840491512 /nfs/dbraw/zinc/49/15/12/840491512.db2.gz OPRFEYSKCQWOOS-LBPRGKRZSA-N -1 0 372.399 -0.129 20 0 FBADRM COC(=O)C(NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1)C(=O)OC ZINC001185322983 840491134 /nfs/dbraw/zinc/49/11/34/840491134.db2.gz KJIYQGKELXYELR-UHFFFAOYSA-N -1 0 361.328 -0.614 20 0 FBADRM CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1)[C@@H](C)O ZINC001185323465 840492895 /nfs/dbraw/zinc/49/28/95/840492895.db2.gz SVGSQJCZCODBJE-PELKAZGASA-N -1 0 361.372 -0.016 20 0 FBADRM CCOC(=O)CNC(=O)CNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185323497 840493530 /nfs/dbraw/zinc/49/35/30/840493530.db2.gz VJTGVUCUMKHPJL-UHFFFAOYSA-N -1 0 374.371 -0.649 20 0 FBADRM COc1ccc(S(=O)(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1C(=O)[O-] ZINC001185323603 840493173 /nfs/dbraw/zinc/49/31/73/840493173.db2.gz ZQQDCGBMWJEVLR-UHFFFAOYSA-N -1 0 369.355 -0.408 20 0 FBADRM COc1ccc(S(=O)(=O)NCc2noc(C(N)=O)n2)cc1C(=O)[O-] ZINC001185324324 840492887 /nfs/dbraw/zinc/49/28/87/840492887.db2.gz ITJZXLSEYRAPLR-UHFFFAOYSA-N -1 0 356.316 -0.646 20 0 FBADRM COc1ccc(S(=O)(=O)NCCOCCOCCO)cc1C(=O)[O-] ZINC001185324413 840493408 /nfs/dbraw/zinc/49/34/08/840493408.db2.gz NFYSBYSFTZOIQR-UHFFFAOYSA-N -1 0 363.388 -0.303 20 0 FBADRM COc1ccc(S(=O)(=O)NCCN2C(=O)C=CC2=O)cc1C(=O)[O-] ZINC001185324455 840492907 /nfs/dbraw/zinc/49/29/07/840492907.db2.gz OIEGHBYZPQMJCV-UHFFFAOYSA-N -1 0 354.340 -0.403 20 0 FBADRM COc1ccc(S(=O)(=O)NC2CN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC001185324473 840493402 /nfs/dbraw/zinc/49/34/02/840493402.db2.gz PERCFXHDQVTSSV-UHFFFAOYSA-N -1 0 364.401 -0.685 20 0 FBADRM COc1ccc(S(=O)(=O)Nc2cc(=O)[nH]c(=O)n2C)cc1C(=O)[O-] ZINC001185324653 840493243 /nfs/dbraw/zinc/49/32/43/840493243.db2.gz VXMQKTDDFHIABS-UHFFFAOYSA-N -1 0 355.328 -0.007 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@]2(C)CCC(=O)NC2=O)cc1C(=O)[O-] ZINC001185326026 840492901 /nfs/dbraw/zinc/49/29/01/840492901.db2.gz GUTRZQDGPDJMHV-AWEZNQCLSA-N -1 0 356.356 -0.133 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@]2(C)CCC(=O)NC2=O)cc1C(=O)[O-] ZINC001185326027 840493546 /nfs/dbraw/zinc/49/35/46/840493546.db2.gz GUTRZQDGPDJMHV-CQSZACIVSA-N -1 0 356.356 -0.133 20 0 FBADRM CCOC(=O)[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1)[C@@H](C)O ZINC001185326922 840493582 /nfs/dbraw/zinc/49/35/82/840493582.db2.gz SVGSQJCZCODBJE-PRHODGIISA-N -1 0 361.372 -0.016 20 0 FBADRM COc1ccc(S(=O)(=O)Nc2cc(=O)n(C)c(=O)[nH]2)cc1C(=O)[O-] ZINC001185327124 840493341 /nfs/dbraw/zinc/49/33/41/840493341.db2.gz ZMIFLJMNGDNVSU-UHFFFAOYSA-N -1 0 355.328 -0.007 20 0 FBADRM COC(=O)[C@@H](CC(N)=O)NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185332445 840493038 /nfs/dbraw/zinc/49/30/38/840493038.db2.gz ZFXIFLBGKCDCLH-SECBINFHSA-N -1 0 360.344 -0.911 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1)C(N)=O ZINC001185332540 840493356 /nfs/dbraw/zinc/49/33/56/840493356.db2.gz JHBSETMJLXGLMZ-JTQLQIEISA-N -1 0 374.371 -0.521 20 0 FBADRM COC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185333948 840492985 /nfs/dbraw/zinc/49/29/85/840492985.db2.gz LOQIQXVSFVLNQE-QMMMGPOBSA-N -1 0 374.371 -0.651 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)cc1C(=O)[O-] ZINC001185340388 840493328 /nfs/dbraw/zinc/49/33/28/840493328.db2.gz AWKTYYSLHSXSKC-YUMQZZPRSA-N -1 0 373.387 -0.950 20 0 FBADRM C[C@H]1[C@H](NC(=O)Cn2cnc3ccc(F)cc32)C(=O)N1S(=O)(=O)[O-] ZINC001185346683 840491897 /nfs/dbraw/zinc/49/18/97/840491897.db2.gz XQWLCRZJSIRIJP-MADCSZMMSA-N -1 0 356.335 -0.306 20 0 FBADRM COc1nc(OC)c(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1C ZINC001185440531 840494135 /nfs/dbraw/zinc/49/41/35/840494135.db2.gz YTFQHVJIJLMXTF-CBAPKCEASA-N -1 0 359.360 -0.461 20 0 FBADRM CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)CC1 ZINC001185551895 840495880 /nfs/dbraw/zinc/49/58/80/840495880.db2.gz VYTRXYSQYXDEOS-UHFFFAOYSA-N -1 0 373.406 -0.111 20 0 FBADRM Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c(C(N)=O)nn1C ZINC001185565804 840495596 /nfs/dbraw/zinc/49/55/96/840495596.db2.gz DXODCWJSWISCMJ-UHFFFAOYSA-N -1 0 362.375 -0.192 20 0 FBADRM CNC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001185573240 840496411 /nfs/dbraw/zinc/49/64/11/840496411.db2.gz LDDOFOIUUCWQRA-UHFFFAOYSA-N -1 0 360.359 -0.183 20 0 FBADRM CCOC(=O)CC1(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)COC1 ZINC001185620258 840500246 /nfs/dbraw/zinc/50/02/46/840500246.db2.gz BHPAFMHUMVDHRI-UHFFFAOYSA-N -1 0 367.387 -0.133 20 0 FBADRM O=S(=O)(NCCOCCOCCO)c1ccc(-c2nn[nH]n2)cc1 ZINC001185620475 840500463 /nfs/dbraw/zinc/50/04/63/840500463.db2.gz HJLIIWZKBAMMKP-UHFFFAOYSA-N -1 0 357.392 -0.830 20 0 FBADRM O=S(=O)(NC[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC001185620505 840500540 /nfs/dbraw/zinc/50/05/40/840500540.db2.gz JIXVCYIWIKRASS-SECBINFHSA-N -1 0 357.417 -0.420 20 0 FBADRM O=S(=O)(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC001185620506 840500621 /nfs/dbraw/zinc/50/06/21/840500621.db2.gz JIXVCYIWIKRASS-VIFPVBQESA-N -1 0 357.417 -0.420 20 0 FBADRM CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H](C)O ZINC001185620511 840500309 /nfs/dbraw/zinc/50/03/09/840500309.db2.gz JTMPTVULCKUFLI-KCJUWKMLSA-N -1 0 355.376 -0.543 20 0 FBADRM CS(=O)(=O)[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC001185620624 840500391 /nfs/dbraw/zinc/50/03/91/840500391.db2.gz KMJGCJCUNQNVNY-HOMQSWHASA-N -1 0 357.417 -0.279 20 0 FBADRM CS(=O)(=O)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC001185620625 840501203 /nfs/dbraw/zinc/50/12/03/840501203.db2.gz KMJGCJCUNQNVNY-JGZJWPJOSA-N -1 0 357.417 -0.279 20 0 FBADRM O=S(=O)(NCCN1CCC(O)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001185620662 840500820 /nfs/dbraw/zinc/50/08/20/840500820.db2.gz LXBGPRXMCPHKNH-UHFFFAOYSA-N -1 0 352.420 -0.398 20 0 FBADRM O=S(=O)(N[C@@H]1COCCC12OCCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC001185620669 840500274 /nfs/dbraw/zinc/50/02/74/840500274.db2.gz MEDASBBJBJTGIK-GFCCVEGCSA-N -1 0 367.387 -0.323 20 0 FBADRM O=S(=O)(N[C@H]1COCCC12OCCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC001185620670 840500211 /nfs/dbraw/zinc/50/02/11/840500211.db2.gz MEDASBBJBJTGIK-LBPRGKRZSA-N -1 0 367.387 -0.323 20 0 FBADRM CN(C)S(=O)(=O)CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001185620974 840501148 /nfs/dbraw/zinc/50/11/48/840501148.db2.gz OSRYFXWLTNGIFN-UHFFFAOYSA-N -1 0 360.421 -0.964 20 0 FBADRM O=S(=O)(N[C@H]1CCN(C2COC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC001185621033 840500851 /nfs/dbraw/zinc/50/08/51/840500851.db2.gz RHSZSKVPQJHHSJ-NSHDSACASA-N -1 0 350.404 -0.382 20 0 FBADRM O=S(=O)(NC1CC2(C1)CS(=O)(=O)C2)c1ccc(-c2nn[nH]n2)cc1 ZINC001185621053 840500497 /nfs/dbraw/zinc/50/04/97/840500497.db2.gz SHOWPJZBHLSSAF-UHFFFAOYSA-N -1 0 369.428 -0.278 20 0 FBADRM COC(=O)CCC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001185621063 840500752 /nfs/dbraw/zinc/50/07/52/840500752.db2.gz SUXSPSGKLYYVBW-UHFFFAOYSA-N -1 0 353.360 -0.333 20 0 FBADRM O=S(=O)(NC1CCS(=O)(=O)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001185621658 840500356 /nfs/dbraw/zinc/50/03/56/840500356.db2.gz CVXNLCFMKUHWNS-UHFFFAOYSA-N -1 0 357.417 -0.278 20 0 FBADRM COCCOCCOCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001185621703 840500524 /nfs/dbraw/zinc/50/05/24/840500524.db2.gz GIZHRSQSZBPRBL-UHFFFAOYSA-N -1 0 371.419 -0.175 20 0 FBADRM O=C(CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)N1CCOCC1 ZINC001185622140 840500692 /nfs/dbraw/zinc/50/06/92/840500692.db2.gz JDSGXFHMJMFEKP-UHFFFAOYSA-N -1 0 352.376 -0.996 20 0 FBADRM Cn1c(=O)cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)n(C)c1=O ZINC001185623058 840500876 /nfs/dbraw/zinc/50/08/76/840500876.db2.gz XQHSBIHIMWTMBU-UHFFFAOYSA-N -1 0 363.359 -0.935 20 0 FBADRM CCOC(=O)[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H](C)O ZINC001185623551 840501088 /nfs/dbraw/zinc/50/10/88/840501088.db2.gz JTMPTVULCKUFLI-LDYMZIIASA-N -1 0 355.376 -0.543 20 0 FBADRM O=S(=O)(NC1CN(c2cnccn2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC001185623583 840500670 /nfs/dbraw/zinc/50/06/70/840500670.db2.gz KZAXTHXKYGXHAD-UHFFFAOYSA-N -1 0 358.387 -0.176 20 0 FBADRM C[C@@]1(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CCC(=O)NC1=O ZINC001185624189 840500959 /nfs/dbraw/zinc/50/09/59/840500959.db2.gz QMOBKMYILDDIMD-CYBMUJFWSA-N -1 0 350.360 -0.660 20 0 FBADRM C[C@]1(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CCC(=O)NC1=O ZINC001185624190 840501062 /nfs/dbraw/zinc/50/10/62/840501062.db2.gz QMOBKMYILDDIMD-ZDUSSCGKSA-N -1 0 350.360 -0.660 20 0 FBADRM CC(C)(C)OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001185624234 840501008 /nfs/dbraw/zinc/50/10/08/840501008.db2.gz QULFUJITWCBAKJ-NSHDSACASA-N -1 0 369.403 -0.152 20 0 FBADRM O=S(=O)(NC1CN(c2ncccn2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC001185624273 840500574 /nfs/dbraw/zinc/50/05/74/840500574.db2.gz RCINJNGFZLPJPZ-UHFFFAOYSA-N -1 0 358.387 -0.176 20 0 FBADRM C[C@@]1(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CCS(=O)(=O)C1 ZINC001185624345 840500779 /nfs/dbraw/zinc/50/07/79/840500779.db2.gz RWOVVABUQORGOF-GFCCVEGCSA-N -1 0 357.417 -0.278 20 0 FBADRM O=S(=O)(NCCN1CCC[C@@H](O)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC001185628851 840498386 /nfs/dbraw/zinc/49/83/86/840498386.db2.gz XQDXXTDAGVNEMG-GFCCVEGCSA-N -1 0 352.420 -0.398 20 0 FBADRM O=S(=O)(NCCN1CCC[C@H](O)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC001185628852 840498232 /nfs/dbraw/zinc/49/82/32/840498232.db2.gz XQDXXTDAGVNEMG-LBPRGKRZSA-N -1 0 352.420 -0.398 20 0 FBADRM CN(CC(=O)N1C[C@H]2c3ccccc3C(=O)[C@H]2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185652685 840498904 /nfs/dbraw/zinc/49/89/04/840498904.db2.gz AIWXEWPDJPKVAP-RYUDHWBXSA-N -1 0 366.314 -0.026 20 0 FBADRM CN(CC(=O)Nc1cc2n(n1)CC(C)(C)CO2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185652756 840498199 /nfs/dbraw/zinc/49/81/99/840498199.db2.gz BRHBDPHKMBSTTE-UHFFFAOYSA-N -1 0 360.311 -0.211 20 0 FBADRM CN(CC(=O)Nc1cncnc1C(F)(F)F)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185652759 840498601 /nfs/dbraw/zinc/49/86/01/840498601.db2.gz BSVHVHJXMKWSGX-UHFFFAOYSA-N -1 0 356.201 -0.017 20 0 FBADRM CCOC(=O)c1nc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])cn1C ZINC001185653014 840498585 /nfs/dbraw/zinc/49/85/85/840498585.db2.gz CXJXIAWVEGRVDH-UHFFFAOYSA-N -1 0 362.283 -0.916 20 0 FBADRM Cc1cc2c(cc1CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])OCCO2 ZINC001185653134 840498643 /nfs/dbraw/zinc/49/86/43/840498643.db2.gz CMKZTZUFHXKELO-UHFFFAOYSA-N -1 0 372.318 -0.069 20 0 FBADRM CN(CC(=O)Nc1cnn2ccc(Cl)nc12)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653274 840498850 /nfs/dbraw/zinc/49/88/50/840498850.db2.gz DLUAJCWXXLXHTA-UHFFFAOYSA-N -1 0 361.686 -0.130 20 0 FBADRM CN(CC(=O)N1CC2CC1(C(=O)N1CCCC1)C2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653371 840498846 /nfs/dbraw/zinc/49/88/46/840498846.db2.gz DPKWFFXQEHXSIE-UHFFFAOYSA-N -1 0 373.350 -0.851 20 0 FBADRM COc1cnc(Cl)c(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])n1 ZINC001185653395 840498649 /nfs/dbraw/zinc/49/86/49/840498649.db2.gz FFIGXIMYADLUQF-UHFFFAOYSA-N -1 0 352.675 -0.374 20 0 FBADRM CN(CC(=O)Nc1nnc(C(F)(F)F)n1C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653399 840498431 /nfs/dbraw/zinc/49/84/31/840498431.db2.gz FHTQAJUQPKRQRA-UHFFFAOYSA-N -1 0 359.205 -0.679 20 0 FBADRM CN(CC(=O)Nc1ccnn1Cc1cccnc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653421 840498773 /nfs/dbraw/zinc/49/87/73/840498773.db2.gz FUENEWSWAJIVCR-UHFFFAOYSA-N -1 0 367.306 -0.186 20 0 FBADRM CCOC(=O)c1cccc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])n1 ZINC001185653493 840498780 /nfs/dbraw/zinc/49/87/80/840498780.db2.gz GLMCULFUOMTMLZ-UHFFFAOYSA-N -1 0 359.279 -0.254 20 0 FBADRM CCOC(=O)c1ncc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])cn1 ZINC001185653563 840498424 /nfs/dbraw/zinc/49/84/24/840498424.db2.gz GIZPLJKKKQXJIZ-UHFFFAOYSA-N -1 0 360.267 -0.859 20 0 FBADRM CCOC(=O)c1ccncc1NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653581 840498366 /nfs/dbraw/zinc/49/83/66/840498366.db2.gz HKLPIPLHCCFEMM-UHFFFAOYSA-N -1 0 359.279 -0.254 20 0 FBADRM Cc1cc2ncc(C)c(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])n2n1 ZINC001185653596 840498579 /nfs/dbraw/zinc/49/85/79/840498579.db2.gz HMXQGIKFZZMRJW-UHFFFAOYSA-N -1 0 355.295 -0.166 20 0 FBADRM CN(CC(=O)Nc1cnc(C(F)(F)F)nc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653619 840498214 /nfs/dbraw/zinc/49/82/14/840498214.db2.gz HPRRHFAIWHMCNE-UHFFFAOYSA-N -1 0 356.201 -0.017 20 0 FBADRM Cc1cc(C)n2nc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])cc2n1 ZINC001185653639 840498456 /nfs/dbraw/zinc/49/84/56/840498456.db2.gz IDIGKRDKCUDGCY-UHFFFAOYSA-N -1 0 355.295 -0.166 20 0 FBADRM COCCOc1cc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])ccn1 ZINC001185653640 840498734 /nfs/dbraw/zinc/49/87/34/840498734.db2.gz HIGSMEJFHCIEMN-UHFFFAOYSA-N -1 0 361.295 -0.406 20 0 FBADRM COc1ccc2nc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])nnc2c1 ZINC001185653641 840498379 /nfs/dbraw/zinc/49/83/79/840498379.db2.gz IDUKVFKVQDEWKY-UHFFFAOYSA-N -1 0 369.278 -0.479 20 0 FBADRM COC(=O)c1scnc1NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653657 840498631 /nfs/dbraw/zinc/49/86/31/840498631.db2.gz IPHZDEXLKFAKGU-UHFFFAOYSA-N -1 0 351.281 -0.583 20 0 FBADRM CN(CC(=O)Nc1cc(Br)nn1C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653781 840498727 /nfs/dbraw/zinc/49/87/27/840498727.db2.gz ITKUQINEJWRSOU-UHFFFAOYSA-N -1 0 369.116 -0.330 20 0 FBADRM CN(CC(=O)Nc1cc(Cl)nc2ccnn21)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653823 840498175 /nfs/dbraw/zinc/49/81/75/840498175.db2.gz IMIUKHJSTPDEEH-UHFFFAOYSA-N -1 0 361.686 -0.130 20 0 FBADRM CN(CC(=O)N(C)c1nc(Cl)ccc1N)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653846 840498280 /nfs/dbraw/zinc/49/82/80/840498280.db2.gz KBMBLDBDCHGUOY-UHFFFAOYSA-N -1 0 350.703 -0.171 20 0 FBADRM CN(CC(=O)Nc1ncc(C(F)(F)F)cn1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653865 840499377 /nfs/dbraw/zinc/49/93/77/840499377.db2.gz KHCJNZWAXVIHCS-UHFFFAOYSA-N -1 0 356.201 -0.017 20 0 FBADRM CCOC(=O)c1cc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])n(C)n1 ZINC001185653870 840499674 /nfs/dbraw/zinc/49/96/74/840499674.db2.gz KLVRZKCQIBOHOU-UHFFFAOYSA-N -1 0 362.283 -0.916 20 0 FBADRM COC[C@@H]1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])Cc2cn(C)nc21 ZINC001185653878 840499560 /nfs/dbraw/zinc/49/95/60/840499560.db2.gz JOCXYWYLNYUSIA-JTQLQIEISA-N -1 0 374.338 -0.959 20 0 FBADRM COC[C@H]1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])Cc2cn(C)nc21 ZINC001185653880 840499422 /nfs/dbraw/zinc/49/94/22/840499422.db2.gz JOCXYWYLNYUSIA-SNVBAGLBSA-N -1 0 374.338 -0.959 20 0 FBADRM CN(CC(=O)Nc1cncnc1Br)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653898 840499699 /nfs/dbraw/zinc/49/96/99/840499699.db2.gz KYQVBHRUJVTMPP-UHFFFAOYSA-N -1 0 367.100 -0.274 20 0 FBADRM CN(CC(=O)Nc1cccnc1OC1COC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653900 840499216 /nfs/dbraw/zinc/49/92/16/840499216.db2.gz LELASTJZUVBVGM-UHFFFAOYSA-N -1 0 359.279 -0.653 20 0 FBADRM CN(CC(=O)Nc1cc2n(n1)CC(F)(F)CO2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653918 840499340 /nfs/dbraw/zinc/49/93/40/840499340.db2.gz JZQIBCKNEMIJGB-UHFFFAOYSA-N -1 0 368.237 -0.602 20 0 FBADRM CN(CC(=O)N(c1ncc(N)cn1)C1CCCC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653948 840499253 /nfs/dbraw/zinc/49/92/53/840499253.db2.gz KRROQKZLFLLTRR-UHFFFAOYSA-N -1 0 371.338 -0.117 20 0 FBADRM CN(CC(=O)N(C)Cc1ccc2c(c1)OCCO2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654099 840499665 /nfs/dbraw/zinc/49/96/65/840499665.db2.gz MHTXKKODHOJVEM-UHFFFAOYSA-N -1 0 372.318 -0.035 20 0 FBADRM CN(CC(=O)Nc1nnccc1C(F)(F)F)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654304 840499349 /nfs/dbraw/zinc/49/93/49/840499349.db2.gz NSNPNRPFEOUWCS-UHFFFAOYSA-N -1 0 356.201 -0.017 20 0 FBADRM CN(CC(=O)Nc1ccnn1-c1ccncc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654305 840499526 /nfs/dbraw/zinc/49/95/26/840499526.db2.gz NTZNAUABGOYLFQ-UHFFFAOYSA-N -1 0 353.279 -0.245 20 0 FBADRM CN(CC(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654309 840499279 /nfs/dbraw/zinc/49/92/79/840499279.db2.gz NYBVDZJTINVRMA-RQJHMYQMSA-N -1 0 362.245 -0.836 20 0 FBADRM CN(CC(=O)N1CC[C@@H](O)[C@@H]1Cc1ccccc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654310 840499512 /nfs/dbraw/zinc/49/95/12/840499512.db2.gz NYSJGEALQKBIPB-QWHCGFSZSA-N -1 0 370.346 -0.260 20 0 FBADRM CN(CC(=O)Nc1ncccc1N1CCOCC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654361 840499389 /nfs/dbraw/zinc/49/93/89/840499389.db2.gz OXRHTGIYWYFGLA-UHFFFAOYSA-N -1 0 372.322 -0.594 20 0 FBADRM CN(CC(=O)N1CCc2cc3c(cc2C1)OCO3)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654451 840499643 /nfs/dbraw/zinc/49/96/43/840499643.db2.gz QBHFNWNKIILEKU-UHFFFAOYSA-N -1 0 370.302 -0.151 20 0 FBADRM CN(CC(=O)Nc1cnc2ccc(Cl)nn21)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654470 840499420 /nfs/dbraw/zinc/49/94/20/840499420.db2.gz PJMRHXJSWAUEQZ-UHFFFAOYSA-N -1 0 361.686 -0.130 20 0 FBADRM CN(CC(=O)Nc1cncc(C(F)(F)F)n1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654516 840499489 /nfs/dbraw/zinc/49/94/89/840499489.db2.gz QUZIJJYVOCIVNV-UHFFFAOYSA-N -1 0 356.201 -0.017 20 0 FBADRM COc1ccc(C(=O)CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])cc1 ZINC001185654564 840499680 /nfs/dbraw/zinc/49/96/80/840499680.db2.gz RYTUPXLDTAYTOK-UHFFFAOYSA-N -1 0 358.291 -0.457 20 0 FBADRM CN(CC(=O)Nc1cncc(N2CCOCC2)c1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654701 840499399 /nfs/dbraw/zinc/49/93/99/840499399.db2.gz QUUDNTRKVOVGRX-UHFFFAOYSA-N -1 0 372.322 -0.594 20 0 FBADRM CN(CC(=O)Nc1nnc(Br)s1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654755 840499649 /nfs/dbraw/zinc/49/96/49/840499649.db2.gz UEIACVJHMQQINB-UHFFFAOYSA-N -1 0 373.129 -0.212 20 0 FBADRM CCc1cc2ncc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])cn2n1 ZINC001185654779 840499461 /nfs/dbraw/zinc/49/94/61/840499461.db2.gz RXQHEYMQZNYABW-UHFFFAOYSA-N -1 0 355.295 -0.221 20 0 FBADRM COc1nc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])c(C)c(OC)n1 ZINC001185654780 840499638 /nfs/dbraw/zinc/49/96/38/840499638.db2.gz SAFYYKXJOKRDNA-UHFFFAOYSA-N -1 0 362.283 -0.710 20 0 FBADRM CCOC(=O)c1ncncc1NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654866 840499605 /nfs/dbraw/zinc/49/96/05/840499605.db2.gz VDUKZFBGRIJUHF-UHFFFAOYSA-N -1 0 360.267 -0.859 20 0 FBADRM CN(CC(=O)Nc1cccnc1-n1cccn1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654924 840499669 /nfs/dbraw/zinc/49/96/69/840499669.db2.gz WKDHWISCHKXRPX-UHFFFAOYSA-N -1 0 353.279 -0.245 20 0 FBADRM CN(CC(=O)Nc1ccnn1CC(F)(F)F)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654941 840499688 /nfs/dbraw/zinc/49/96/88/840499688.db2.gz UAEMBDUGZMWRTI-UHFFFAOYSA-N -1 0 358.217 -0.067 20 0 FBADRM CN(CC(=O)Nc1ccc(N2CCOCC2)nc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654942 840499506 /nfs/dbraw/zinc/49/95/06/840499506.db2.gz XFNCPLKAKXGAET-UHFFFAOYSA-N -1 0 372.322 -0.594 20 0 FBADRM COCCCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])c1ncccc1N ZINC001185655033 840499242 /nfs/dbraw/zinc/49/92/42/840499242.db2.gz ZQBADLZGQVTVQW-UHFFFAOYSA-N -1 0 374.338 -0.418 20 0 FBADRM COc1nc(Cl)cc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])n1 ZINC001185655034 840499567 /nfs/dbraw/zinc/49/95/67/840499567.db2.gz ZQWUPDBLNGMIHM-UHFFFAOYSA-N -1 0 352.675 -0.374 20 0 FBADRM CN(CC(=O)Nc1cn(C)nc1C(F)(F)F)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655035 840499289 /nfs/dbraw/zinc/49/92/89/840499289.db2.gz ZSZNFDBXCBCRHZ-UHFFFAOYSA-N -1 0 358.217 -0.074 20 0 FBADRM COC(=O)c1cc(C)cnc1NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655037 840499630 /nfs/dbraw/zinc/49/96/30/840499630.db2.gz ZUPNOTODZHALDX-UHFFFAOYSA-N -1 0 359.279 -0.336 20 0 FBADRM Cc1cccn2c(CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])nnc12 ZINC001185655041 840499519 /nfs/dbraw/zinc/49/95/19/840499519.db2.gz ZVAZMAISTREFEK-UHFFFAOYSA-N -1 0 355.295 -0.797 20 0 FBADRM CN(CC(=O)Nc1cnn(C2CCOCC2)c1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655046 840499331 /nfs/dbraw/zinc/49/93/31/840499331.db2.gz ZVIMARWTHVJMGU-UHFFFAOYSA-N -1 0 360.311 -0.278 20 0 FBADRM COc1nc(Cl)ncc1NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655052 840499704 /nfs/dbraw/zinc/49/97/04/840499704.db2.gz ZZMZGOWQMAEPLO-UHFFFAOYSA-N -1 0 352.675 -0.374 20 0 FBADRM CCO[C@@H]1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])[C@@H]2CCCO[C@H]12 ZINC001185655251 840499535 /nfs/dbraw/zinc/49/95/35/840499535.db2.gz VLWFJPNDDVLATB-FOGDFJRCSA-N -1 0 364.339 -0.670 20 0 FBADRM COC(=O)C=Cc1ccc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])nc1 ZINC001185655333 840499268 /nfs/dbraw/zinc/49/92/68/840499268.db2.gz XVIYEAXSGKUTFR-GQCTYLIASA-N -1 0 371.290 -0.245 20 0 FBADRM CN(CC(=O)Nc1ccnn1Br)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655352 840499660 /nfs/dbraw/zinc/49/96/60/840499660.db2.gz YBHCWWAXNQQUAF-UHFFFAOYSA-N -1 0 355.089 -0.472 20 0 FBADRM CN(CC(=O)N1CCC(c2nncn2C)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655937 840499481 /nfs/dbraw/zinc/49/94/81/840499481.db2.gz AQRWJDTZXRJTNN-UHFFFAOYSA-N -1 0 359.327 -0.930 20 0 FBADRM CN(CC(=O)N1CC(OCc2ccccc2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655961 840499297 /nfs/dbraw/zinc/49/92/97/840499297.db2.gz BDXWUHZHVRWXTL-UHFFFAOYSA-N -1 0 356.319 -0.037 20 0 FBADRM CN(CC(=O)N1CC[C@@]2(C1)CC(F)(F)CO2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656001 840499551 /nfs/dbraw/zinc/49/95/51/840499551.db2.gz BNLGXNRWVJVZFQ-JTQLQIEISA-N -1 0 356.266 -0.438 20 0 FBADRM CN(CC(=O)N1CC[C@]2(C1)CC(F)(F)CO2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656004 840499544 /nfs/dbraw/zinc/49/95/44/840499544.db2.gz BNLGXNRWVJVZFQ-SNVBAGLBSA-N -1 0 356.266 -0.438 20 0 FBADRM CN(CC(=O)N1CCC(c2ncccn2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656029 840499448 /nfs/dbraw/zinc/49/94/48/840499448.db2.gz CAUJDPFOXMUROD-UHFFFAOYSA-N -1 0 356.323 -0.269 20 0 FBADRM CN(CC(=O)N1CCC(Oc2cnccn2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656136 840499229 /nfs/dbraw/zinc/49/92/29/840499229.db2.gz CTHMIAWGKMQFOW-UHFFFAOYSA-N -1 0 372.322 -0.605 20 0 FBADRM Cc1cc2n(n1)c(=O)cc(C)n2C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656146 840499455 /nfs/dbraw/zinc/49/94/55/840499455.db2.gz CTTMHDDADASAFQ-UHFFFAOYSA-N -1 0 356.279 -0.698 20 0 FBADRM COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C2 ZINC001185656252 840499657 /nfs/dbraw/zinc/49/96/57/840499657.db2.gz DJEDIQDLWRTQBL-AEJSXWLSSA-N -1 0 362.323 -0.665 20 0 FBADRM COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C2 ZINC001185656253 840499622 /nfs/dbraw/zinc/49/96/22/840499622.db2.gz DJEDIQDLWRTQBL-GUBZILKMSA-N -1 0 362.323 -0.665 20 0 FBADRM CCN(CC(=O)OC(C)(C)C)C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656265 840499356 /nfs/dbraw/zinc/49/93/56/840499356.db2.gz DRBBBSFNZKMUSG-UHFFFAOYSA-N -1 0 352.328 -0.275 20 0 FBADRM CN(CC(=O)N1CCc2ccc(=O)[nH]c2CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656582 840499590 /nfs/dbraw/zinc/49/95/90/840499590.db2.gz GMBVQGNEEQOROB-UHFFFAOYSA-N -1 0 357.307 -0.737 20 0 FBADRM CCOC(=O)c1coc2c1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C2 ZINC001185656661 840499407 /nfs/dbraw/zinc/49/94/07/840499407.db2.gz IPCGCNWUHGCIQZ-UHFFFAOYSA-N -1 0 374.290 -0.153 20 0 FBADRM CN(CC(=O)N1CCC2(C[C@@H](F)CO2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656663 840499308 /nfs/dbraw/zinc/49/93/08/840499308.db2.gz IQSFLMZHZHYYIN-SECBINFHSA-N -1 0 352.303 -0.345 20 0 FBADRM CN(CC(=O)N1CCC2(C[C@H](F)CO2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656664 840499497 /nfs/dbraw/zinc/49/94/97/840499497.db2.gz IQSFLMZHZHYYIN-VIFPVBQESA-N -1 0 352.303 -0.345 20 0 FBADRM COC(=O)CN(Cc1ccccc1)C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656671 840499579 /nfs/dbraw/zinc/49/95/79/840499579.db2.gz JAPASUDTGHFSIO-UHFFFAOYSA-N -1 0 372.318 -0.263 20 0 FBADRM Cc1ccnc(N2CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2)c1 ZINC001185656872 840499434 /nfs/dbraw/zinc/49/94/34/840499434.db2.gz JDHYHCFZWRGPTE-UHFFFAOYSA-N -1 0 370.350 -0.413 20 0 FBADRM CCc1noc([C@@H]2CCCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C2)n1 ZINC001185656920 840499365 /nfs/dbraw/zinc/49/93/65/840499365.db2.gz KMOYITIDJIYSBA-SECBINFHSA-N -1 0 374.338 -0.113 20 0 FBADRM CCc1noc([C@H]2CCCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C2)n1 ZINC001185656921 840500598 /nfs/dbraw/zinc/50/05/98/840500598.db2.gz KMOYITIDJIYSBA-VIFPVBQESA-N -1 0 374.338 -0.113 20 0 FBADRM COC(=O)c1cccc2c1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C2 ZINC001185656929 840501184 /nfs/dbraw/zinc/50/11/84/840501184.db2.gz KRCACHRKWRDIDY-UHFFFAOYSA-N -1 0 370.302 -0.136 20 0 FBADRM CN(CC(=O)N1CCc2nc(C3CC3)ncc2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657164 840501114 /nfs/dbraw/zinc/50/11/14/840501114.db2.gz NZBNJJDZSAPWAA-UHFFFAOYSA-N -1 0 368.334 -0.212 20 0 FBADRM CCOC(=O)[C@H]1CCCCN1C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657190 840500741 /nfs/dbraw/zinc/50/07/41/840500741.db2.gz OYGLHCQRADASKU-SECBINFHSA-N -1 0 350.312 -0.521 20 0 FBADRM CCOC(=O)[C@@H]1CCCCN1C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657191 840500606 /nfs/dbraw/zinc/50/06/06/840500606.db2.gz OYGLHCQRADASKU-VIFPVBQESA-N -1 0 350.312 -0.521 20 0 FBADRM COC(=O)[C@]1(C)CCCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1 ZINC001185657201 840500807 /nfs/dbraw/zinc/50/08/07/840500807.db2.gz PHMKJHJTFBMEOM-GFCCVEGCSA-N -1 0 350.312 -0.663 20 0 FBADRM COC(=O)[C@@]1(C)CCCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1 ZINC001185657202 840500665 /nfs/dbraw/zinc/50/06/65/840500665.db2.gz PHMKJHJTFBMEOM-LBPRGKRZSA-N -1 0 350.312 -0.663 20 0 FBADRM CN(CC(=O)N1C[C@@H]2COC[C@H](C1)C2(F)F)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657276 840500656 /nfs/dbraw/zinc/50/06/56/840500656.db2.gz RLXKNDCAERAKIG-OCAPTIKFSA-N -1 0 356.266 -0.725 20 0 FBADRM CN(CC(=O)N1CCOC[C@@H]1c1cccnc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657314 840500708 /nfs/dbraw/zinc/50/07/08/840500708.db2.gz SURKBGYQPILNSH-LLVKDONJSA-N -1 0 357.307 -0.470 20 0 FBADRM CN(CC(=O)N1CCOC[C@H]1c1cccnc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657315 840501141 /nfs/dbraw/zinc/50/11/41/840501141.db2.gz SURKBGYQPILNSH-NSHDSACASA-N -1 0 357.307 -0.470 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)C(C)(C)C)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657351 840500486 /nfs/dbraw/zinc/50/04/86/840500486.db2.gz VBAIWKUVKZMXOW-UHFFFAOYSA-N -1 0 363.355 -0.748 20 0 FBADRM CN(CC(=O)N(CCO)Cc1cccs1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657417 840500476 /nfs/dbraw/zinc/50/04/76/840500476.db2.gz WMVZKVUMLZCEQI-UHFFFAOYSA-N -1 0 350.337 -0.382 20 0 FBADRM CSc1ncc2c(n1)CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2 ZINC001185657485 840500592 /nfs/dbraw/zinc/50/05/92/840500592.db2.gz XCJLPPGFDKKYRG-UHFFFAOYSA-N -1 0 374.363 -0.368 20 0 FBADRM Cc1nc([C@H]2CCCCN2C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])no1 ZINC001185657505 840500733 /nfs/dbraw/zinc/50/07/33/840500733.db2.gz XEZXINQQDZTUQX-SECBINFHSA-N -1 0 360.311 -0.020 20 0 FBADRM Cc1nc([C@@H]2CCCCN2C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])no1 ZINC001185657509 840500491 /nfs/dbraw/zinc/50/04/91/840500491.db2.gz XEZXINQQDZTUQX-VIFPVBQESA-N -1 0 360.311 -0.020 20 0 FBADRM CN(CC(=O)N1CCC2(CCNC(=O)O2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657534 840500455 /nfs/dbraw/zinc/50/04/55/840500455.db2.gz YAQJBQDTXARFQN-UHFFFAOYSA-N -1 0 363.311 -0.974 20 0 FBADRM CN(CC(=O)N1CCC(C(=O)C(F)(F)F)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657536 840501176 /nfs/dbraw/zinc/50/11/76/840501176.db2.gz YCHBSQRASQRHHA-UHFFFAOYSA-N -1 0 374.256 -0.095 20 0 FBADRM CN(CC(=O)N1CCc2nc(Cl)ncc2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657538 840500511 /nfs/dbraw/zinc/50/05/11/840500511.db2.gz YFDRHVYADGCCSO-UHFFFAOYSA-N -1 0 362.714 -0.436 20 0 FBADRM COC(=O)C[C@H]1CCCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1 ZINC001185657540 840501037 /nfs/dbraw/zinc/50/10/37/840501037.db2.gz YGYWJHCTLZZNIY-SECBINFHSA-N -1 0 350.312 -0.663 20 0 FBADRM COC(=O)C[C@@H]1CCCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1 ZINC001185657541 840500519 /nfs/dbraw/zinc/50/05/19/840500519.db2.gz YGYWJHCTLZZNIY-VIFPVBQESA-N -1 0 350.312 -0.663 20 0 FBADRM CN(CC(=O)N1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657666 840500198 /nfs/dbraw/zinc/50/01/98/840500198.db2.gz ZYRSDZGRBWBIGN-VMHSAVOQSA-N -1 0 360.229 -0.534 20 0 FBADRM Cc1cccnc1O[C@@H]1CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1 ZINC001185660998 840502118 /nfs/dbraw/zinc/50/21/18/840502118.db2.gz BAYCAPVKWHZYRF-LLVKDONJSA-N -1 0 371.334 -0.081 20 0 FBADRM Cc1cccnc1O[C@H]1CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1 ZINC001185660999 840501627 /nfs/dbraw/zinc/50/16/27/840501627.db2.gz BAYCAPVKWHZYRF-NSHDSACASA-N -1 0 371.334 -0.081 20 0 FBADRM CN(CC(=O)N(C)[C@@H]1CCC2(C1)OCCO2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661304 840501936 /nfs/dbraw/zinc/50/19/36/840501936.db2.gz HROOZQKGVVESDG-SECBINFHSA-N -1 0 350.312 -0.711 20 0 FBADRM CN(CC(=O)N(C)[C@H]1CCC2(C1)OCCO2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661305 840501919 /nfs/dbraw/zinc/50/19/19/840501919.db2.gz HROOZQKGVVESDG-VIFPVBQESA-N -1 0 350.312 -0.711 20 0 FBADRM COC(=O)c1cc(OC)ccc1NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661353 840502008 /nfs/dbraw/zinc/50/20/08/840502008.db2.gz JIUNKXHAGMNWHB-UHFFFAOYSA-N -1 0 374.290 -0.031 20 0 FBADRM CN(CC(=O)Nc1ccc2c(c1)CCN(C)C2=O)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661580 840502871 /nfs/dbraw/zinc/50/28/71/840502871.db2.gz KPMORAGETWAPLL-UHFFFAOYSA-N -1 0 369.318 -0.198 20 0 FBADRM CN(CC(=O)Nc1ccc2c(c1)CC(=O)N2C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661598 840503021 /nfs/dbraw/zinc/50/30/21/840503021.db2.gz LLJZADQNEIMDCY-UHFFFAOYSA-N -1 0 355.291 -0.307 20 0 FBADRM CN(CC(=O)N1CCC[C@H](Oc2ncccn2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661678 840502750 /nfs/dbraw/zinc/50/27/50/840502750.db2.gz MZSHCJPCLRJERS-JTQLQIEISA-N -1 0 372.322 -0.605 20 0 FBADRM CN(CC(=O)N1CCC[C@@H](Oc2ncccn2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661696 840502832 /nfs/dbraw/zinc/50/28/32/840502832.db2.gz MZSHCJPCLRJERS-SNVBAGLBSA-N -1 0 372.322 -0.605 20 0 FBADRM CN(CC(=O)Nc1ccc2c(c1)S(=O)(=O)C=C2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661726 840503154 /nfs/dbraw/zinc/50/31/54/840503154.db2.gz NEHQCNREUZAZMX-UHFFFAOYSA-N -1 0 374.315 -0.068 20 0 FBADRM COc1cc2c(cn1)CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C2 ZINC001185661864 840502769 /nfs/dbraw/zinc/50/27/69/840502769.db2.gz NVTZYVFCQNNSHP-UHFFFAOYSA-N -1 0 357.307 -0.476 20 0 FBADRM CN(CC(=O)Nc1ccc(C2=NCCO2)cc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661871 840503223 /nfs/dbraw/zinc/50/32/23/840503223.db2.gz OBOOHELWJKRGPZ-UHFFFAOYSA-N -1 0 355.291 -0.049 20 0 FBADRM CN(CC(=O)Nc1cccc(-n2nccn2)c1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662190 840502692 /nfs/dbraw/zinc/50/26/92/840502692.db2.gz PVNQGSKFTMUXPB-UHFFFAOYSA-N -1 0 353.279 -0.245 20 0 FBADRM CN(CC(=O)Nc1cccc2c1C(=O)N(C)C2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662219 840502825 /nfs/dbraw/zinc/50/28/25/840502825.db2.gz QZAQRLQOCMUEHG-UHFFFAOYSA-N -1 0 355.291 -0.240 20 0 FBADRM COC(=O)[C@@H]1CCCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])[C@@H]1C ZINC001185662223 840502714 /nfs/dbraw/zinc/50/27/14/840502714.db2.gz RCJIGKWUSJMYQD-RKDXNWHRSA-N -1 0 350.312 -0.665 20 0 FBADRM CN(CC(=O)Nc1ccc(-n2ccnn2)cc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662236 840503103 /nfs/dbraw/zinc/50/31/03/840503103.db2.gz RMNSTCWPURDHNF-UHFFFAOYSA-N -1 0 353.279 -0.245 20 0 FBADRM Cc1ccn2c(CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])cnc2c1 ZINC001185662293 840503178 /nfs/dbraw/zinc/50/31/78/840503178.db2.gz BBMNYCLENBYSJI-UHFFFAOYSA-N -1 0 354.307 -0.192 20 0 FBADRM CN(CC(=O)NCc1cccc2cn(C)nc21)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662296 840503245 /nfs/dbraw/zinc/50/32/45/840503245.db2.gz BDCTYZXXIONNLQ-UHFFFAOYSA-N -1 0 354.307 -0.262 20 0 FBADRM CN(CC(=O)n1oc(=O)nc1-c1ccc(N)cc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662508 840503345 /nfs/dbraw/zinc/50/33/45/840503345.db2.gz CFPQIXUCJGWOAL-UHFFFAOYSA-N -1 0 370.262 -0.725 20 0 FBADRM CN(CC(=O)Nc1cccc2c1C(=O)N=NC2=O)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662626 840503195 /nfs/dbraw/zinc/50/31/95/840503195.db2.gz SLVBGEWROPEXNJ-UHFFFAOYSA-N -1 0 368.246 -0.080 20 0 FBADRM CN(CC(=O)NCc1ccc(-c2ncon2)cc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662637 840502995 /nfs/dbraw/zinc/50/29/95/840502995.db2.gz DPUYXCMGUPTPPL-UHFFFAOYSA-N -1 0 368.290 -0.098 20 0 FBADRM CN(CC(=O)N1CCCN(c2cccnc2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662645 840503295 /nfs/dbraw/zinc/50/32/95/840503295.db2.gz SPHDLCHXPCVSLX-UHFFFAOYSA-N -1 0 370.350 -0.331 20 0 FBADRM CN(CC(=O)NCc1ccc(-n2cccn2)nc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662660 840502939 /nfs/dbraw/zinc/50/29/39/840502939.db2.gz DRSGESGOZGNNHE-UHFFFAOYSA-N -1 0 367.306 -0.568 20 0 FBADRM CN(C)C(=O)Cc1ccccc1NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662669 840503273 /nfs/dbraw/zinc/50/32/73/840503273.db2.gz SXORQDHWYOFCEY-UHFFFAOYSA-N -1 0 371.334 -0.195 20 0 FBADRM CCOC(=O)C1(CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CCC1 ZINC001185662709 840502787 /nfs/dbraw/zinc/50/27/87/840502787.db2.gz DUMLAAJSKRXIAO-UHFFFAOYSA-N -1 0 350.312 -0.615 20 0 FBADRM CN(CC(=O)NCc1cccnc1N1CCCC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662734 840502951 /nfs/dbraw/zinc/50/29/51/840502951.db2.gz FEGHFCZQXJGGMU-UHFFFAOYSA-N -1 0 370.350 -0.153 20 0 FBADRM CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662766 840503086 /nfs/dbraw/zinc/50/30/86/840503086.db2.gz VWGKZXDFFCGZEF-UHFFFAOYSA-N -1 0 365.327 -0.428 20 0 FBADRM Cc1cnccc1O[C@@H]1CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1 ZINC001185662797 840502960 /nfs/dbraw/zinc/50/29/60/840502960.db2.gz WOFHDQYMEKBEMD-LLVKDONJSA-N -1 0 371.334 -0.081 20 0 FBADRM Cc1cnccc1O[C@H]1CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1 ZINC001185662798 840503306 /nfs/dbraw/zinc/50/33/06/840503306.db2.gz WOFHDQYMEKBEMD-NSHDSACASA-N -1 0 371.334 -0.081 20 0 FBADRM CCCCOC(=O)[C@H]1CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1 ZINC001185663287 840503032 /nfs/dbraw/zinc/50/30/32/840503032.db2.gz YFQYSNKFWWKVAB-JTQLQIEISA-N -1 0 364.339 -0.273 20 0 FBADRM CCCCOC(=O)[C@@H]1CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1 ZINC001185663293 840502665 /nfs/dbraw/zinc/50/26/65/840502665.db2.gz YFQYSNKFWWKVAB-SNVBAGLBSA-N -1 0 364.339 -0.273 20 0 FBADRM CN(CC(=O)Nc1ccccc1-n1cncn1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663315 840503052 /nfs/dbraw/zinc/50/30/52/840503052.db2.gz YHXMSARASRHWSL-UHFFFAOYSA-N -1 0 353.279 -0.245 20 0 FBADRM CN(CC(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663368 840502762 /nfs/dbraw/zinc/50/27/62/840502762.db2.gz YNQYBPBEBRNWHQ-NXEZZACHSA-N -1 0 361.339 -0.995 20 0 FBADRM CN(CC(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663371 840502886 /nfs/dbraw/zinc/50/28/86/840502886.db2.gz YNQYBPBEBRNWHQ-UWVGGRQHSA-N -1 0 361.339 -0.995 20 0 FBADRM CN(CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663373 840502892 /nfs/dbraw/zinc/50/28/92/840502892.db2.gz YNQYBPBEBRNWHQ-VHSXEESVSA-N -1 0 361.339 -0.995 20 0 FBADRM CN(CC(=O)N1CC[C@H]2[C@H](CCC(=O)N2C)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663375 840503238 /nfs/dbraw/zinc/50/32/38/840503238.db2.gz YNQYBPBEBRNWHQ-ZJUUUORDSA-N -1 0 361.339 -0.995 20 0 FBADRM CN(CC(=O)NCc1nn(C)c2ccccc12)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663393 840502856 /nfs/dbraw/zinc/50/28/56/840502856.db2.gz KXOZVMBGMKQEGX-UHFFFAOYSA-N -1 0 354.307 -0.262 20 0 FBADRM CN(CC(=O)Nc1ccc(Cn2cncn2)cc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663463 840503204 /nfs/dbraw/zinc/50/32/04/840503204.db2.gz ZFZHLVIODVUSDX-UHFFFAOYSA-N -1 0 367.306 -0.186 20 0 FBADRM CN(CC(=O)Nc1cccn(CC2CC2)c1=O)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663527 840503185 /nfs/dbraw/zinc/50/31/85/840503185.db2.gz MMRVYCGNVUETPZ-UHFFFAOYSA-N -1 0 357.307 -0.254 20 0 FBADRM COc1cc(CCNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])cc(OC)c1 ZINC001185663795 840502684 /nfs/dbraw/zinc/50/26/84/840502684.db2.gz OAVHDBIGZSIIOB-UHFFFAOYSA-N -1 0 374.334 -0.089 20 0 FBADRM CN(CC(=O)NCC(=O)N1CCc2ccccc21)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663818 840503336 /nfs/dbraw/zinc/50/33/36/840503336.db2.gz PDXAPTMIGWDKJC-UHFFFAOYSA-N -1 0 369.318 -0.759 20 0 FBADRM Cc1ccc(C2(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])COC2)cc1 ZINC001185663835 840503121 /nfs/dbraw/zinc/50/31/21/840503121.db2.gz PPEWEQHFODFFAK-UHFFFAOYSA-N -1 0 356.319 -0.114 20 0 FBADRM CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663838 840503211 /nfs/dbraw/zinc/50/32/11/840503211.db2.gz PQUYJKSTHZNWSO-BDAKNGLRSA-N -1 0 350.312 -0.617 20 0 FBADRM COC(=O)c1csc(CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])n1 ZINC001185663848 840502920 /nfs/dbraw/zinc/50/29/20/840502920.db2.gz PYNSEFWWONRUTB-UHFFFAOYSA-N -1 0 365.308 -0.905 20 0 FBADRM CN(CC(=O)NC1(C(F)(F)F)CCOCC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663850 840503253 /nfs/dbraw/zinc/50/32/53/840503253.db2.gz QAVOJFHOYSJRMT-UHFFFAOYSA-N -1 0 362.245 -0.237 20 0 FBADRM CN(CC(=O)n1c(N)nc(=O)c2ccccc21)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664141 840503145 /nfs/dbraw/zinc/50/31/45/840503145.db2.gz QKJUGPROSDSYIP-UHFFFAOYSA-N -1 0 354.263 -0.590 20 0 FBADRM COC(=O)C[C@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])c1cccnc1 ZINC001185664157 840502797 /nfs/dbraw/zinc/50/27/97/840502797.db2.gz QQFHLJICGDHNDY-JTQLQIEISA-N -1 0 373.306 -0.649 20 0 FBADRM COC(=O)C[C@@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])c1cccnc1 ZINC001185664161 840503168 /nfs/dbraw/zinc/50/31/68/840503168.db2.gz QQFHLJICGDHNDY-SNVBAGLBSA-N -1 0 373.306 -0.649 20 0 FBADRM CN(CC(=O)NCCn1nnc2ccccc21)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664214 840502704 /nfs/dbraw/zinc/50/27/04/840502704.db2.gz SHQKQJIUCOEKAU-UHFFFAOYSA-N -1 0 355.295 -0.904 20 0 FBADRM CN(CC(=O)NCc1cc(OC2COC2)ccn1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664240 840502905 /nfs/dbraw/zinc/50/29/05/840502905.db2.gz SUELZJTXMLDRIZ-UHFFFAOYSA-N -1 0 373.306 -0.976 20 0 FBADRM COC(=O)c1ccnc(CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])c1 ZINC001185664250 840502843 /nfs/dbraw/zinc/50/28/43/840502843.db2.gz SVCOBYBCARAEOT-UHFFFAOYSA-N -1 0 359.279 -0.967 20 0 FBADRM CCOC(=O)[C@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])[C@@H](C)CC ZINC001185664252 840503130 /nfs/dbraw/zinc/50/31/30/840503130.db2.gz SXFSSEQKRNGDAQ-WCBMZHEXSA-N -1 0 352.328 -0.371 20 0 FBADRM COC(=O)[C@H](COC(C)(C)C)NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664256 840503043 /nfs/dbraw/zinc/50/30/43/840503043.db2.gz SYPXSMPDYHILSP-QMMMGPOBSA-N -1 0 368.327 -0.992 20 0 FBADRM CN(CC(=O)NCCc1cn2ccccc2n1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664298 840503329 /nfs/dbraw/zinc/50/33/29/840503329.db2.gz UCSXPUBUHYBWMZ-UHFFFAOYSA-N -1 0 354.307 -0.458 20 0 FBADRM Cc1cccn2cc(CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])nc12 ZINC001185664587 840502740 /nfs/dbraw/zinc/50/27/40/840502740.db2.gz WEIZDFZBZKRJFW-UHFFFAOYSA-N -1 0 354.307 -0.192 20 0 FBADRM CN(CC(=O)NC(C)(C)CC(=O)N1CCCC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664610 840503261 /nfs/dbraw/zinc/50/32/61/840503261.db2.gz XBISEPUDHKFBTH-UHFFFAOYSA-N -1 0 363.355 -0.557 20 0 FBADRM CN(CC(=O)NCc1cncnc1C(C)(C)F)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664622 840502982 /nfs/dbraw/zinc/50/29/82/840502982.db2.gz XIJQGYBEILKSRP-UHFFFAOYSA-N -1 0 362.302 -0.154 20 0 FBADRM CN(CC(=O)NCC(F)(F)c1ccccn1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664779 840503002 /nfs/dbraw/zinc/50/30/02/840503002.db2.gz ZGCQXJGBBWXCJW-UHFFFAOYSA-N -1 0 351.250 -0.162 20 0 FBADRM CCOC(=O)c1cccc(CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])n1 ZINC001185664811 840503233 /nfs/dbraw/zinc/50/32/33/840503233.db2.gz ZTQHQDKEGDKBQF-UHFFFAOYSA-N -1 0 373.306 -0.577 20 0 FBADRM CN(CC(=O)NCc1cc(OCC2CC2)ncn1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185666108 840504399 /nfs/dbraw/zinc/50/43/99/840504399.db2.gz AIUSCYVXWPSRHX-UHFFFAOYSA-N -1 0 372.322 -0.570 20 0 FBADRM CN(CC(=O)NCc1cnn(CC(F)(F)F)c1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185666137 840504412 /nfs/dbraw/zinc/50/44/12/840504412.db2.gz AQFSWPRBBHKCBK-UHFFFAOYSA-N -1 0 372.244 -0.390 20 0 FBADRM CN(CC(=O)NCc1ccn(CC(F)(F)F)n1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185666339 840503846 /nfs/dbraw/zinc/50/38/46/840503846.db2.gz BTNAOAPHRSIASQ-UHFFFAOYSA-N -1 0 372.244 -0.390 20 0 FBADRM CN(CC(=O)NCc1ccc(-n2ccnn2)cc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185666391 840503911 /nfs/dbraw/zinc/50/39/11/840503911.db2.gz CBDNKAOMNMKFSG-UHFFFAOYSA-N -1 0 367.306 -0.568 20 0 FBADRM CN(CC(=O)N[C@H]1CCN(Cc2cccnc2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185666478 840503690 /nfs/dbraw/zinc/50/36/90/840503690.db2.gz CUZXVPXVIZCYNC-LBPRGKRZSA-N -1 0 370.350 -0.679 20 0 FBADRM CN(CC(=O)NCCCC(=O)c1cccnc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185666816 840503877 /nfs/dbraw/zinc/50/38/77/840503877.db2.gz DXPSTOVBONYWJB-UHFFFAOYSA-N -1 0 357.307 -0.290 20 0 FBADRM CN(CC(=O)NCc1cn(CC(F)(F)F)cn1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185666833 840504278 /nfs/dbraw/zinc/50/42/78/840504278.db2.gz FAFPQWZIDQRXIE-UHFFFAOYSA-N -1 0 372.244 -0.390 20 0 FBADRM COC(=O)[C@@](C)(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C(F)(F)F ZINC001185666914 840504012 /nfs/dbraw/zinc/50/40/12/840504012.db2.gz FVJJBIVIZDYUPN-MRVPVSSYSA-N -1 0 364.217 -0.855 20 0 FBADRM COC(=O)[C@](C)(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C(F)(F)F ZINC001185666922 840503792 /nfs/dbraw/zinc/50/37/92/840503792.db2.gz FVJJBIVIZDYUPN-QMMMGPOBSA-N -1 0 364.217 -0.855 20 0 FBADRM CCc1nnc2ccc(CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])cn21 ZINC001185667021 840503720 /nfs/dbraw/zinc/50/37/20/840503720.db2.gz HLHOIISQBGUDEM-UHFFFAOYSA-N -1 0 369.322 -0.543 20 0 FBADRM COCC1(CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CCOCC1 ZINC001185667046 840504422 /nfs/dbraw/zinc/50/44/22/840504422.db2.gz IYWZLCMLDPYNIQ-UHFFFAOYSA-N -1 0 352.328 -0.905 20 0 FBADRM COc1ccc(CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])nc1OC ZINC001185667397 840504165 /nfs/dbraw/zinc/50/41/65/840504165.db2.gz LMOQOBFPLWKJKE-UHFFFAOYSA-N -1 0 361.295 -0.736 20 0 FBADRM CN(CC(=O)NCc1cccc2c1cnn2C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185667398 840504311 /nfs/dbraw/zinc/50/43/11/840504311.db2.gz LMZRXGZCGOWYTO-UHFFFAOYSA-N -1 0 354.307 -0.262 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C(=O)N(C)C ZINC001185667410 840504478 /nfs/dbraw/zinc/50/44/78/840504478.db2.gz MDDLZPIHIJZSBD-WPRPVWTQSA-N -1 0 351.344 -0.846 20 0 FBADRM CN(CC(=O)NCc1ccc(C2OCCO2)cc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185667593 840504016 /nfs/dbraw/zinc/50/40/16/840504016.db2.gz NUBUSSVWNQNCTD-UHFFFAOYSA-N -1 0 372.318 -0.103 20 0 FBADRM COCC1(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001185667683 840504374 /nfs/dbraw/zinc/50/43/74/840504374.db2.gz OXHQTGRBUKVDHF-UHFFFAOYSA-N -1 0 370.346 -0.165 20 0 FBADRM COC(=O)C[C@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])c1ccccn1 ZINC001185667703 840503800 /nfs/dbraw/zinc/50/38/00/840503800.db2.gz OYNYOSIZPXEHNN-JTQLQIEISA-N -1 0 373.306 -0.649 20 0 FBADRM COC(=O)C[C@@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])c1ccccn1 ZINC001185667706 840504221 /nfs/dbraw/zinc/50/42/21/840504221.db2.gz OYNYOSIZPXEHNN-SNVBAGLBSA-N -1 0 373.306 -0.649 20 0 FBADRM COC(=O)c1cncc(CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])c1 ZINC001185667755 840503859 /nfs/dbraw/zinc/50/38/59/840503859.db2.gz PNMXFBKTZYPVFM-UHFFFAOYSA-N -1 0 359.279 -0.967 20 0 FBADRM COc1ccc(CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])c(OC)n1 ZINC001185667803 840504299 /nfs/dbraw/zinc/50/42/99/840504299.db2.gz QBPYCCAHOWXKDM-UHFFFAOYSA-N -1 0 361.295 -0.736 20 0 FBADRM CCOC(=O)/C=C(/NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])OCC ZINC001185667928 840504000 /nfs/dbraw/zinc/50/40/00/840504000.db2.gz RPYMOAYGJOLBGD-TWGQIWQCSA-N -1 0 352.284 -0.908 20 0 FBADRM CN(CC(=O)NCC1(c2ccc(F)cn2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185667938 840504082 /nfs/dbraw/zinc/50/40/82/840504082.db2.gz RUEWHSJCLLQPTP-UHFFFAOYSA-N -1 0 359.298 -0.083 20 0 FBADRM CN(CC(=O)NCC[C@H]1COc2ccccc2O1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185667996 840503856 /nfs/dbraw/zinc/50/38/56/840503856.db2.gz SRHRWLUNAGGOMZ-JTQLQIEISA-N -1 0 372.318 -0.118 20 0 FBADRM CN(CC(=O)NCC[C@@H]1COc2ccccc2O1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185667997 840503962 /nfs/dbraw/zinc/50/39/62/840503962.db2.gz SRHRWLUNAGGOMZ-SNVBAGLBSA-N -1 0 372.318 -0.118 20 0 FBADRM CC(C)Oc1nccc(CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])n1 ZINC001185668277 840503825 /nfs/dbraw/zinc/50/38/25/840503825.db2.gz WRILWOVIQVSINL-UHFFFAOYSA-N -1 0 360.311 -0.571 20 0 FBADRM CN(CC(=O)N[C@@H]1CCN(c2ccccn2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185668354 840503870 /nfs/dbraw/zinc/50/38/70/840503870.db2.gz XKHOHJSXUBRJGN-SNVBAGLBSA-N -1 0 356.323 -0.675 20 0 FBADRM COC(=O)C12CCC(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])(CC1)C2 ZINC001185668360 840503865 /nfs/dbraw/zinc/50/38/65/840503865.db2.gz XMRLOBPFCNVGSM-UHFFFAOYSA-N -1 0 362.323 -0.473 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1scnc1C1CC1 ZINC001185673430 840504120 /nfs/dbraw/zinc/50/41/20/840504120.db2.gz OTSATJXUTKVKPG-UHFFFAOYSA-N -1 0 372.388 -0.269 20 0 FBADRM COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1nnn[n-]1)C(C)C ZINC001185678788 840504445 /nfs/dbraw/zinc/50/44/45/840504445.db2.gz CLDDFGCXQPUKJM-ONGXEEELSA-N -1 0 353.383 -0.813 20 0 FBADRM COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCS(=O)(=O)[O-])C(C)C ZINC001185683119 840502333 /nfs/dbraw/zinc/50/23/33/840502333.db2.gz NVDOHAUVWOLJGM-UWVGGRQHSA-N -1 0 365.408 -0.681 20 0 FBADRM C[C@H]1[C@H](NC(=O)C2(C)CCC3(CC2)OCCO3)C(=O)N1S(=O)(=O)[O-] ZINC001185697459 840501642 /nfs/dbraw/zinc/50/16/42/840501642.db2.gz FGZOHPNLCHGFKP-UWVGGRQHSA-N -1 0 362.404 -0.172 20 0 FBADRM C[C@H]1[C@H](NS(=O)(=O)c2ccc(Cl)nc2)C(=O)N1S(=O)(=O)[O-] ZINC001185698149 840502210 /nfs/dbraw/zinc/50/22/10/840502210.db2.gz MSKKKKKZAUWEQO-XNCJUZBTSA-N -1 0 355.781 -0.585 20 0 FBADRM COC(=O)c1ccc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c(C)c1 ZINC001185768131 840505351 /nfs/dbraw/zinc/50/53/51/840505351.db2.gz BINIYYHKPOFZJG-KWQFWETISA-N -1 0 356.356 -0.086 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)C[C@H](O)c1ccccc1 ZINC001185790502 840505423 /nfs/dbraw/zinc/50/54/23/840505423.db2.gz WBBAFXXWXZWARG-QMMMGPOBSA-N -1 0 369.359 -0.528 20 0 FBADRM CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1nnn[n-]1 ZINC001185842499 840507283 /nfs/dbraw/zinc/50/72/83/840507283.db2.gz IPOATVIFZRLTPE-NXEZZACHSA-N -1 0 354.367 -0.386 20 0 FBADRM CC(=O)O[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1nnn[n-]1 ZINC001185842500 840507412 /nfs/dbraw/zinc/50/74/12/840507412.db2.gz IPOATVIFZRLTPE-UWVGGRQHSA-N -1 0 354.367 -0.386 20 0 FBADRM CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1nnn[n-]1 ZINC001185842501 840506880 /nfs/dbraw/zinc/50/68/80/840506880.db2.gz IPOATVIFZRLTPE-VHSXEESVSA-N -1 0 354.367 -0.386 20 0 FBADRM CC(=O)O[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1nnn[n-]1 ZINC001185842502 840507258 /nfs/dbraw/zinc/50/72/58/840507258.db2.gz IPOATVIFZRLTPE-ZJUUUORDSA-N -1 0 354.367 -0.386 20 0 FBADRM CC(=O)O[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@@H]1CO[N-]C1=O ZINC001185844700 840507400 /nfs/dbraw/zinc/50/74/00/840507400.db2.gz SODXQXOLRGHKKI-AXFHLTTASA-N -1 0 357.363 -0.669 20 0 FBADRM CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H]1CO[N-]C1=O ZINC001185844703 840507139 /nfs/dbraw/zinc/50/71/39/840507139.db2.gz SODXQXOLRGHKKI-GMTAPVOTSA-N -1 0 357.363 -0.669 20 0 FBADRM CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@@H]1CO[N-]C1=O ZINC001185844706 840506867 /nfs/dbraw/zinc/50/68/67/840506867.db2.gz SODXQXOLRGHKKI-HBNTYKKESA-N -1 0 357.363 -0.669 20 0 FBADRM CC(=O)O[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H]1CO[N-]C1=O ZINC001185844707 840507230 /nfs/dbraw/zinc/50/72/30/840507230.db2.gz SODXQXOLRGHKKI-MXWKQRLJSA-N -1 0 357.363 -0.669 20 0 FBADRM Cc1c(F)cccc1S(=O)(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001185847290 840507377 /nfs/dbraw/zinc/50/73/77/840507377.db2.gz JHMPKFPCMRTREQ-XVKPBYJWSA-N -1 0 352.365 -0.185 20 0 FBADRM CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCS(=O)(=O)[O-] ZINC001185848182 840508164 /nfs/dbraw/zinc/50/81/64/840508164.db2.gz JJRDJQODNMJSBS-NXEZZACHSA-N -1 0 366.392 -0.254 20 0 FBADRM CC(=O)O[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCS(=O)(=O)[O-] ZINC001185848183 840508133 /nfs/dbraw/zinc/50/81/33/840508133.db2.gz JJRDJQODNMJSBS-UWVGGRQHSA-N -1 0 366.392 -0.254 20 0 FBADRM CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCS(=O)(=O)[O-] ZINC001185848188 840508322 /nfs/dbraw/zinc/50/83/22/840508322.db2.gz JJRDJQODNMJSBS-VHSXEESVSA-N -1 0 366.392 -0.254 20 0 FBADRM CC(=O)O[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCS(=O)(=O)[O-] ZINC001185848191 840508017 /nfs/dbraw/zinc/50/80/17/840508017.db2.gz JJRDJQODNMJSBS-ZJUUUORDSA-N -1 0 366.392 -0.254 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001185897769 840509863 /nfs/dbraw/zinc/50/98/63/840509863.db2.gz OYOSRORNLKDBEV-GFCCVEGCSA-N -1 0 354.384 -0.075 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001185897770 840509785 /nfs/dbraw/zinc/50/97/85/840509785.db2.gz OYOSRORNLKDBEV-LBPRGKRZSA-N -1 0 354.384 -0.075 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001185897814 840509981 /nfs/dbraw/zinc/50/99/81/840509981.db2.gz QVUKHLNJHLEWBI-UHFFFAOYSA-N -1 0 353.400 -0.502 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC(N2CCN(C)C(=O)C2)C1 ZINC001185897836 840509762 /nfs/dbraw/zinc/50/97/62/840509762.db2.gz SETZQJVSXBEZPG-UHFFFAOYSA-N -1 0 367.427 -0.160 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)Cn1cnc2c1nc(N)nc2Cl ZINC001185905247 840510670 /nfs/dbraw/zinc/51/06/70/840510670.db2.gz KEBCVTLXBXGVNI-LURJTMIESA-N -1 0 370.753 -0.416 20 0 FBADRM Nc1c2c(=O)nccc-2[n-]n1C(=O)Cn1cnc2c1nc(N)nc2Cl ZINC001185910996 840510687 /nfs/dbraw/zinc/51/06/87/840510687.db2.gz QFLNSSQTSKCXFN-UHFFFAOYSA-N -1 0 359.737 -0.026 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(=O)n(C)c(=O)n1C ZINC001185923470 840511652 /nfs/dbraw/zinc/51/16/52/840511652.db2.gz FTJQGXMDUCSRHU-UHFFFAOYSA-N -1 0 353.356 -0.109 20 0 FBADRM CCOC(=O)CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185923494 840511373 /nfs/dbraw/zinc/51/13/73/840511373.db2.gz HIWSSQWCJZMCQC-UHFFFAOYSA-N -1 0 358.372 -0.349 20 0 FBADRM CC(=O)NC[C@@H](C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)c1ccccc1 ZINC001185964599 840511406 /nfs/dbraw/zinc/51/14/06/840511406.db2.gz MKQKTIVDTDBIQT-BIMULSAOSA-N -1 0 369.399 -0.575 20 0 FBADRM CC(=O)NC[C@H](C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)c1ccccc1 ZINC001185964600 840511463 /nfs/dbraw/zinc/51/14/63/840511463.db2.gz MKQKTIVDTDBIQT-XDTLVQLUSA-N -1 0 369.399 -0.575 20 0 FBADRM C[C@H]1[C@H](NC(=O)Nc2ccc3c(c2)OCCO3)C(=O)N1S(=O)(=O)[O-] ZINC001185987117 840511518 /nfs/dbraw/zinc/51/15/18/840511518.db2.gz WZJARODPJHZRPK-CPCISQLKSA-N -1 0 357.344 -0.019 20 0 FBADRM C[C@H]1[C@H](NS(=O)(=O)c2ccc3n[nH]cc3c2)C(=O)N1S(=O)(=O)[O-] ZINC001186022329 840512081 /nfs/dbraw/zinc/51/20/81/840512081.db2.gz NPDIJOKJMDXSMT-WKEGUHRASA-N -1 0 360.373 -0.757 20 0 FBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)CN2CC[C@@H](O)C2)cc1 ZINC001186049342 840513858 /nfs/dbraw/zinc/51/38/58/840513858.db2.gz SHDRYMIRHNZIFD-CYBMUJFWSA-N -1 0 355.416 -0.690 20 0 FBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)CN2CC[C@H](O)C2)cc1 ZINC001186049352 840513764 /nfs/dbraw/zinc/51/37/64/840513764.db2.gz SHDRYMIRHNZIFD-ZDUSSCGKSA-N -1 0 355.416 -0.690 20 0 FBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CN2CC[C@@H](O)C2)cc1 ZINC001186050439 840514365 /nfs/dbraw/zinc/51/43/65/840514365.db2.gz UDTIUFYVRXHRHJ-LLVKDONJSA-N -1 0 357.388 -0.264 20 0 FBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CN2CC[C@H](O)C2)cc1 ZINC001186050440 840514063 /nfs/dbraw/zinc/51/40/63/840514063.db2.gz UDTIUFYVRXHRHJ-NSHDSACASA-N -1 0 357.388 -0.264 20 0 FBADRM N=C(NC(=O)c1ccc(OCC(N)=O)cc1)SCCS(=O)(=O)[O-] ZINC001186072326 840514416 /nfs/dbraw/zinc/51/44/16/840514416.db2.gz YSUATPMNTIBYDS-UHFFFAOYSA-N -1 0 361.401 -0.164 20 0 FBADRM COC(=O)[C@H]1CCN(CC(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)C1 ZINC001186109403 840515913 /nfs/dbraw/zinc/51/59/13/840515913.db2.gz IQTILRHYHWTMDD-VIFPVBQESA-N -1 0 367.383 -0.448 20 0 FBADRM COC(=O)[C@H]1CCN(CC(=O)NC(=N)SCCS(=O)(=O)[O-])C1 ZINC001186115875 840515764 /nfs/dbraw/zinc/51/57/64/840515764.db2.gz NQNLBGJKEMRMSI-QMMMGPOBSA-N -1 0 353.422 -0.847 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccc(O)cc1F ZINC001186318652 840517209 /nfs/dbraw/zinc/51/72/09/840517209.db2.gz OHSICRMFMRPNIN-UHFFFAOYSA-N -1 0 359.295 -0.758 20 0 FBADRM CC(=O)O[C@H](Cc1ccccc1)C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001186343375 840518061 /nfs/dbraw/zinc/51/80/61/840518061.db2.gz IWVPGPFJPCSMAZ-BIMULSAOSA-N -1 0 370.383 -0.321 20 0 FBADRM CC(=O)O[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001186343380 840518026 /nfs/dbraw/zinc/51/80/26/840518026.db2.gz IWVPGPFJPCSMAZ-XDTLVQLUSA-N -1 0 370.383 -0.321 20 0 FBADRM NC(=O)c1nc(C[N-]S(=O)(=O)c2cncc(Br)c2)no1 ZINC001186429037 840520463 /nfs/dbraw/zinc/52/04/63/840520463.db2.gz MIIXSLXFQNEYMO-UHFFFAOYSA-N -1 0 362.165 -0.196 20 0 FBADRM CC(=O)Nc1cc(F)ccc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001186434504 840520296 /nfs/dbraw/zinc/52/02/96/840520296.db2.gz LGSVHDGNTDRWRG-KGFZYKRKSA-N -1 0 359.335 -0.084 20 0 FBADRM COCCNC(=O)Nc1ncnc2c1ncn2CCOC[P@@](=O)([O-])O ZINC001186497480 840520085 /nfs/dbraw/zinc/52/00/85/840520085.db2.gz ZVGJGGJVPYQHKM-UHFFFAOYSA-N -1 0 374.294 -0.254 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@H](C(=O)N[C@@H]2CO[N-]C2=O)C1 ZINC001186503564 840519927 /nfs/dbraw/zinc/51/99/27/840519927.db2.gz QIALQAZWYNFQBZ-IRCOFANPSA-N -1 0 355.391 -0.195 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@@H](C(=O)N[C@@H]2CO[N-]C2=O)C1 ZINC001186503565 840521468 /nfs/dbraw/zinc/52/14/68/840521468.db2.gz QIALQAZWYNFQBZ-NNYUYHANSA-N -1 0 355.391 -0.195 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@H](C(=O)N[C@@H]2CO[N-]C2=O)C1 ZINC001186503566 840520991 /nfs/dbraw/zinc/52/09/91/840520991.db2.gz QIALQAZWYNFQBZ-QCNOEVLYSA-N -1 0 355.391 -0.195 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@@H](C(=O)N[C@@H]2CO[N-]C2=O)C1 ZINC001186503567 840521639 /nfs/dbraw/zinc/52/16/39/840521639.db2.gz QIALQAZWYNFQBZ-YFKTTZPYSA-N -1 0 355.391 -0.195 20 0 FBADRM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H]1CO[N-]C1=O ZINC001186580534 840522511 /nfs/dbraw/zinc/52/25/11/840522511.db2.gz PXFXQMGKSVIYFA-ZJUUUORDSA-N -1 0 356.379 -0.952 20 0 FBADRM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCS(=O)(=O)[O-] ZINC001186581790 840522029 /nfs/dbraw/zinc/52/20/29/840522029.db2.gz YPRGGNXVHCSIDL-VIFPVBQESA-N -1 0 365.408 -0.536 20 0 FBADRM COC(=O)c1ccc(OC)c(S(=O)(=O)NCC[P@@](=O)([O-])O)c1 ZINC001186584010 840522545 /nfs/dbraw/zinc/52/25/45/840522545.db2.gz DYKTYKIOGYPBTB-UHFFFAOYSA-N -1 0 353.289 -0.062 20 0 FBADRM CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)NCc1n[nH]c(=O)[n-]1)C(C)C ZINC001186619252 840524406 /nfs/dbraw/zinc/52/44/06/840524406.db2.gz ZWVSOLGTCKPSJX-ONGXEEELSA-N -1 0 372.451 -0.865 20 0 FBADRM COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCS(=O)(=O)[O-] ZINC001186707678 840529507 /nfs/dbraw/zinc/52/95/07/840529507.db2.gz CSVIBJPJKGKYLZ-LBPRGKRZSA-N -1 0 372.399 -0.371 20 0 FBADRM CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001186726739 840532722 /nfs/dbraw/zinc/53/27/22/840532722.db2.gz NQYOZLHZNTZUIR-RNFRBKRXSA-N -1 0 369.421 -0.885 20 0 FBADRM CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@H](C(=O)N[C@@H]2SC(=O)[N-]C2=O)C1 ZINC001186801515 840533422 /nfs/dbraw/zinc/53/34/22/840533422.db2.gz HNYNGUROVJQADP-AOAMOSOWSA-N -1 0 370.383 -0.081 20 0 FBADRM CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@@H](C(=O)N[C@@H]2SC(=O)[N-]C2=O)C1 ZINC001186801519 840533747 /nfs/dbraw/zinc/53/37/47/840533747.db2.gz HNYNGUROVJQADP-IBRIGMFSSA-N -1 0 370.383 -0.081 20 0 FBADRM CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@H](C(=O)N[C@H]2SC(=O)[N-]C2=O)C1 ZINC001186801523 840533615 /nfs/dbraw/zinc/53/36/15/840533615.db2.gz HNYNGUROVJQADP-IPZIOGDXSA-N -1 0 370.383 -0.081 20 0 FBADRM CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@@H](C(=O)N[C@H]2SC(=O)[N-]C2=O)C1 ZINC001186801525 840533757 /nfs/dbraw/zinc/53/37/57/840533757.db2.gz HNYNGUROVJQADP-KKUKJKQGSA-N -1 0 370.383 -0.081 20 0 FBADRM CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@@H](C(=O)NCc2n[nH]c(=O)[n-]2)C1 ZINC001186808534 840534205 /nfs/dbraw/zinc/53/42/05/840534205.db2.gz VSHPHSSKRJKXQY-BJOHPYRUSA-N -1 0 352.347 -0.366 20 0 FBADRM CCOC(=O)[C@@]1(C(C)=O)CCC(=O)[C@H](C(=O)NCc2n[nH]c(=O)[n-]2)C1 ZINC001186808535 840534387 /nfs/dbraw/zinc/53/43/87/840534387.db2.gz VSHPHSSKRJKXQY-PSLIRLAXSA-N -1 0 352.347 -0.366 20 0 FBADRM CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@H](C(=O)NCc2n[nH]c(=O)[n-]2)C1 ZINC001186808536 840534774 /nfs/dbraw/zinc/53/47/74/840534774.db2.gz VSHPHSSKRJKXQY-RFAUZJTJSA-N -1 0 352.347 -0.366 20 0 FBADRM CCOC(=O)[C@@]1(C(C)=O)CCC(=O)[C@@H](C(=O)NCc2n[nH]c(=O)[n-]2)C1 ZINC001186808537 840534221 /nfs/dbraw/zinc/53/42/21/840534221.db2.gz VSHPHSSKRJKXQY-VFZGTOFNSA-N -1 0 352.347 -0.366 20 0 FBADRM O=S(=O)([N-]c1cc(N2CCN(CCO)CC2)ncn1)c1ccco1 ZINC001186812844 840537130 /nfs/dbraw/zinc/53/71/30/840537130.db2.gz SNMCZSXUHUWUOU-UHFFFAOYSA-N -1 0 353.404 -0.015 20 0 FBADRM O=S(=O)([N-]c1ccnc2c(N(CCO)CCO)cnn21)c1ccco1 ZINC001186820817 840537813 /nfs/dbraw/zinc/53/78/13/840537813.db2.gz UXFIXHLWMCRONR-UHFFFAOYSA-N -1 0 367.387 -0.086 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@@H]1CCC(F)(F)C1 ZINC001186877092 840539742 /nfs/dbraw/zinc/53/97/42/840539742.db2.gz WTEGQALGQMKNPJ-SCSAIBSYSA-N -1 0 353.307 -0.216 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC001186945882 840543945 /nfs/dbraw/zinc/54/39/45/840543945.db2.gz LXLXXNBSCLKBSV-NSHDSACASA-N -1 0 356.356 -0.134 20 0 FBADRM N=C(NC(=O)c1cccc(-n2cnnn2)c1)SCCS(=O)(=O)[O-] ZINC001186982340 840545316 /nfs/dbraw/zinc/54/53/16/840545316.db2.gz HRWDVUUDUFJLSX-UHFFFAOYSA-N -1 0 356.389 -0.052 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@H](O)C1CCCCC1 ZINC001186992370 840547018 /nfs/dbraw/zinc/54/70/18/840547018.db2.gz UWOOQVKHCDJUHJ-MRVPVSSYSA-N -1 0 361.380 -0.710 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@@H](O)CCCc2ccccc2)C(=O)N1S(=O)(=O)[O-] ZINC001187054754 840547845 /nfs/dbraw/zinc/54/78/45/840547845.db2.gz ASNKZTOZHIOVGP-DRZSPHRISA-N -1 0 356.400 -0.112 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@H](O)CCCc2ccccc2)C(=O)N1S(=O)(=O)[O-] ZINC001187054756 840548698 /nfs/dbraw/zinc/54/86/98/840548698.db2.gz ASNKZTOZHIOVGP-UHTWSYAYSA-N -1 0 356.400 -0.112 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc(Cn3cncn3)cc2)C(=O)N1S(=O)(=O)[O-] ZINC001187077853 840549507 /nfs/dbraw/zinc/54/95/07/840549507.db2.gz TYMQLKOJMMVTQQ-CABZTGNLSA-N -1 0 365.371 -0.542 20 0 FBADRM C[C@H]1[C@H](NC(=O)C(=O)Nc2c(F)cccc2F)C(=O)N1S(=O)(=O)[O-] ZINC001187115476 840549428 /nfs/dbraw/zinc/54/94/28/840549428.db2.gz ZHFXJRSGVRZZGQ-XNCJUZBTSA-N -1 0 363.298 -0.578 20 0 FBADRM C[C@@H](C(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1)N1CCOCC1 ZINC001187172149 840553558 /nfs/dbraw/zinc/55/35/58/840553558.db2.gz NXRYFUWZOURDOR-LBPRGKRZSA-N -1 0 369.443 -0.036 20 0 FBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001187188894 840553161 /nfs/dbraw/zinc/55/31/61/840553161.db2.gz VQJYAELAOKCMBO-LLVKDONJSA-N -1 0 363.465 -0.132 20 0 FBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1CCN(c2cnn(C)c2)C1=O ZINC001187188895 840553127 /nfs/dbraw/zinc/55/31/27/840553127.db2.gz VQJYAELAOKCMBO-NSHDSACASA-N -1 0 363.465 -0.132 20 0 FBADRM COC(=O)C1(C)CCC(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)CC1 ZINC001187194910 840553703 /nfs/dbraw/zinc/55/37/03/840553703.db2.gz TZNIIEIONUYIQR-PKJDEHMXSA-N -1 0 362.404 -0.126 20 0 FBADRM CCOC(=O)CCNC(=O)N1CCN(CCCCS(=O)(=O)[O-])CC1 ZINC001187203994 840554538 /nfs/dbraw/zinc/55/45/38/840554538.db2.gz CKCZDZVSDBJCNJ-UHFFFAOYSA-N -1 0 365.452 -0.065 20 0 FBADRM COCCOc1ccccc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001187212459 840555346 /nfs/dbraw/zinc/55/53/46/840555346.db2.gz YQEBEBVNWXDSML-CABZTGNLSA-N -1 0 358.372 -0.156 20 0 FBADRM CCOCCS(=O)(=O)[N-]c1cc(N2CCN(CCO)CC2)nc(C)n1 ZINC001187245707 840554682 /nfs/dbraw/zinc/55/46/82/840554682.db2.gz AIJRREOGBCXGJN-UHFFFAOYSA-N -1 0 373.479 -0.322 20 0 FBADRM CCOCCS(=O)(=O)[N-]c1cc(N2CCN(CCO)CC2)ncn1 ZINC001187246780 840554332 /nfs/dbraw/zinc/55/43/32/840554332.db2.gz WADWUFOJRSDEON-UHFFFAOYSA-N -1 0 359.452 -0.631 20 0 FBADRM C[C@H]1[C@H](NC(=O)Cc2n[nH]c3ccc(O)cc23)C(=O)N1S(=O)(=O)[O-] ZINC001187250255 840555813 /nfs/dbraw/zinc/55/58/13/840555813.db2.gz RMGYMSWGIPBCNI-QTTZVWFDSA-N -1 0 354.344 -0.671 20 0 FBADRM CCOCCS(=O)(=O)N1CCN(CCCCS(=O)(=O)[O-])CC1 ZINC001187276305 840555836 /nfs/dbraw/zinc/55/58/36/840555836.db2.gz PHRYVTQPTBHWNR-UHFFFAOYSA-N -1 0 358.482 -0.362 20 0 FBADRM CCOCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]C(N)=O)cc1 ZINC001187287094 840555883 /nfs/dbraw/zinc/55/58/83/840555883.db2.gz REZGHLKWBBOCQB-UHFFFAOYSA-N -1 0 351.406 -0.178 20 0 FBADRM CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001187314064 840559641 /nfs/dbraw/zinc/55/96/41/840559641.db2.gz XQQKBPXESWABRT-GZMMTYOYSA-N -1 0 358.420 -0.037 20 0 FBADRM CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001187314065 840559379 /nfs/dbraw/zinc/55/93/79/840559379.db2.gz XQQKBPXESWABRT-KCJUWKMLSA-N -1 0 358.420 -0.037 20 0 FBADRM CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001187314066 840559192 /nfs/dbraw/zinc/55/91/92/840559192.db2.gz XQQKBPXESWABRT-KWQFWETISA-N -1 0 358.420 -0.037 20 0 FBADRM CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001187314068 840558932 /nfs/dbraw/zinc/55/89/32/840558932.db2.gz XQQKBPXESWABRT-LDYMZIIASA-N -1 0 358.420 -0.037 20 0 FBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CN2CCC(=O)C2)cc1 ZINC001187330324 840558032 /nfs/dbraw/zinc/55/80/32/840558032.db2.gz FVXICLWDWUZMFJ-UHFFFAOYSA-N -1 0 355.372 -0.055 20 0 FBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)CN2CCC(=O)C2)cc1 ZINC001187330533 840557634 /nfs/dbraw/zinc/55/76/34/840557634.db2.gz SZHDJPOGDSTNFV-UHFFFAOYSA-N -1 0 353.400 -0.482 20 0 FBADRM Cc1oncc1S(=O)(=O)[N-]c1cc(N2CCN(CCO)CC2)ncn1 ZINC001187333012 840558105 /nfs/dbraw/zinc/55/81/05/840558105.db2.gz DKOMAEPZZWSPHP-UHFFFAOYSA-N -1 0 368.419 -0.312 20 0 FBADRM Cc1oncc1S(=O)(=O)N1CCN(CCCCS(=O)(=O)[O-])CC1 ZINC001187361024 840560658 /nfs/dbraw/zinc/56/06/58/840560658.db2.gz BOYFOVYDKLJGSE-UHFFFAOYSA-N -1 0 367.449 -0.043 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cccc(N3CCOCC3)c2)C(=O)N1S(=O)(=O)[O-] ZINC001187410650 840563069 /nfs/dbraw/zinc/56/30/69/840563069.db2.gz DXXCPNMUAGEXJM-GWCFXTLKSA-N -1 0 369.399 -0.345 20 0 FBADRM O=C(CNC(=O)[C@@H]1CCC(=O)N1)Nc1nc[n-]c(=O)c1Br ZINC001187512671 840566631 /nfs/dbraw/zinc/56/66/31/840566631.db2.gz DVDSMMFFSDLJJT-YFKPBYRVSA-N -1 0 358.152 -0.722 20 0 FBADRM Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)c(S(=O)(=O)[O-])c1 ZINC001187520557 840569276 /nfs/dbraw/zinc/56/92/76/840569276.db2.gz CQQIRVYYBHDKFI-JTQLQIEISA-N -1 0 369.399 -0.117 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3CN([C@H](C)C(=O)NC(N)=O)C[C@H]32)c1[O-] ZINC001187529769 840569424 /nfs/dbraw/zinc/56/94/24/840569424.db2.gz GFBNQPJEHDBLHD-KXUCPTDWSA-N -1 0 350.379 -0.847 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3CN([C@@H](C)C(=O)NC(N)=O)C[C@H]32)c1[O-] ZINC001187529771 840569724 /nfs/dbraw/zinc/56/97/24/840569724.db2.gz GFBNQPJEHDBLHD-LPEHRKFASA-N -1 0 350.379 -0.847 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3CN(CCN(C)S(C)(=O)=O)C[C@H]32)c1[O-] ZINC001187530163 840569085 /nfs/dbraw/zinc/56/90/85/840569085.db2.gz JAHCHZNJYPZFAH-NWDGAFQWSA-N -1 0 371.463 -0.539 20 0 FBADRM CNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001187530263 840569714 /nfs/dbraw/zinc/56/97/14/840569714.db2.gz KILGMQFEYMYNFI-VHSXEESVSA-N -1 0 350.379 -0.974 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3CN(CCNS(C)(=O)=O)C[C@H]32)c1[O-] ZINC001187531507 840569049 /nfs/dbraw/zinc/56/90/49/840569049.db2.gz UJMOHGKNKQDLGW-WDEREUQCSA-N -1 0 357.436 -0.881 20 0 FBADRM CCS(=O)(=O)NCCN1C[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001187531574 840568895 /nfs/dbraw/zinc/56/88/95/840568895.db2.gz WTVZBISMBNDDCH-NWDGAFQWSA-N -1 0 371.463 -0.491 20 0 FBADRM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N2CC(N3CCNC(=O)C3)C2)c1 ZINC001187565723 840572029 /nfs/dbraw/zinc/57/20/29/840572029.db2.gz ZIIIAVLFUTUMFE-UHFFFAOYSA-N -1 0 373.818 -0.157 20 0 FBADRM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1 ZINC001187595001 840571575 /nfs/dbraw/zinc/57/15/75/840571575.db2.gz AAMKCAWIESAZBN-QNKRVWAESA-N -1 0 365.791 -0.581 20 0 FBADRM NC(=O)c1nc(CNS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)no1 ZINC001187595014 840570426 /nfs/dbraw/zinc/57/04/26/840570426.db2.gz ARWUIKZITMWGFQ-UHFFFAOYSA-N -1 0 360.735 -0.001 20 0 FBADRM CS(=O)(=O)N1CC(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC001187596159 840571515 /nfs/dbraw/zinc/57/15/15/840571515.db2.gz TVSLMGWVDPSBOL-UHFFFAOYSA-N -1 0 368.820 -0.040 20 0 FBADRM COC(=O)[C@@H](CC(N)=O)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187599084 840572672 /nfs/dbraw/zinc/57/26/72/840572672.db2.gz GNVXIROAQHLPON-MRVPVSSYSA-N -1 0 364.763 -0.267 20 0 FBADRM COC(=O)CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187599173 840573031 /nfs/dbraw/zinc/57/30/31/840573031.db2.gz LKICTADSMSUNBQ-UHFFFAOYSA-N -1 0 364.763 -0.394 20 0 FBADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)C(=O)NCC(N)=O ZINC001187604674 840573051 /nfs/dbraw/zinc/57/30/51/840573051.db2.gz PPKZUQMYXLIPIJ-LURJTMIESA-N -1 0 363.779 -0.694 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)C1(C(=O)C2CC2)CC1 ZINC001187638240 840575992 /nfs/dbraw/zinc/57/59/92/840575992.db2.gz FEJHCDQKNFHJST-UHFFFAOYSA-N -1 0 357.348 -0.892 20 0 FBADRM O=S(=O)([N-]c1cc(N2CCN(CCO)CC2)ncn1)c1c[nH]cn1 ZINC001187731111 840581752 /nfs/dbraw/zinc/58/17/52/840581752.db2.gz DELCOJOBPIOUIQ-UHFFFAOYSA-N -1 0 353.408 -0.885 20 0 FBADRM CCOC(=O)Cn1cnc2c1ncnc2[N-]S(=O)(=O)c1c[nH]cn1 ZINC001187731148 840581645 /nfs/dbraw/zinc/58/16/45/840581645.db2.gz DVBDOKGZGNLOKJ-UHFFFAOYSA-N -1 0 351.348 -0.087 20 0 FBADRM Cc1nc([N-]S(=O)(=O)c2c[nH]cn2)cc(N2CCN(CCO)CC2)n1 ZINC001187731745 840580941 /nfs/dbraw/zinc/58/09/41/840580941.db2.gz MLBIBXGPQRQIEY-UHFFFAOYSA-N -1 0 367.435 -0.577 20 0 FBADRM O=S(=O)([N-]c1ncnc2c1ncn2[C@H]1C=C[C@@H](CO)O1)c1c[nH]cn1 ZINC001187731966 840579032 /nfs/dbraw/zinc/57/90/32/840579032.db2.gz RYEMEYRWVCBPHM-WCBMZHEXSA-N -1 0 363.359 -0.204 20 0 FBADRM O=S(=O)([N-]c1ccnc2c(N(CCO)CCO)cnn21)c1c[nH]cn1 ZINC001187738885 840582586 /nfs/dbraw/zinc/58/25/86/840582586.db2.gz WKQRXFNFVZFNIZ-UHFFFAOYSA-N -1 0 367.391 -0.956 20 0 FBADRM O=S(=O)([O-])CCCCN1CCN(S(=O)(=O)c2c[nH]cn2)CC1 ZINC001187754059 840584768 /nfs/dbraw/zinc/58/47/68/840584768.db2.gz MIFZHSBQLDTTPL-UHFFFAOYSA-N -1 0 352.438 -0.616 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2c[nH]cn2)c2nonc21 ZINC001187768781 840581699 /nfs/dbraw/zinc/58/16/99/840581699.db2.gz CHLZRKDMYDRFKH-UHFFFAOYSA-N -1 0 372.388 -0.003 20 0 FBADRM COC(=O)c1ccc(NC(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1 ZINC001187804256 840586526 /nfs/dbraw/zinc/58/65/26/840586526.db2.gz CVNOHLJHNNUMOA-XVKPBYJWSA-N -1 0 357.344 -0.003 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1[nH]ncc1Cl ZINC001187848319 840588144 /nfs/dbraw/zinc/58/81/44/840588144.db2.gz JCALEJZFQMOUDO-VIFPVBQESA-N -1 0 354.754 -0.282 20 0 FBADRM O=S(=O)([N-]c1cc(N2CCN(CCO)CC2)ncn1)c1nccs1 ZINC001187853963 840588129 /nfs/dbraw/zinc/58/81/29/840588129.db2.gz WIINPGXIRHFTGJ-UHFFFAOYSA-N -1 0 370.460 -0.152 20 0 FBADRM Cc1nnsc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001187898780 840591071 /nfs/dbraw/zinc/59/10/71/840591071.db2.gz IEOWSDHUBJGUGT-VIFPVBQESA-N -1 0 352.376 -0.498 20 0 FBADRM CCCc1onc(C)c1C(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001187932830 840594820 /nfs/dbraw/zinc/59/48/20/840594820.db2.gz RTVFWZNQVXYCNB-UHFFFAOYSA-N -1 0 372.363 -0.354 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001187996043 840597273 /nfs/dbraw/zinc/59/72/73/840597273.db2.gz WXCGRVLRDXVOJB-UHFFFAOYSA-N -1 0 366.443 -0.296 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001188004246 840598695 /nfs/dbraw/zinc/59/86/95/840598695.db2.gz IQGPKLVYYFYNBX-JXJLXUTGSA-N -1 0 358.416 -0.719 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NC1CN(S(C)(=O)=O)C1 ZINC001188004254 840599038 /nfs/dbraw/zinc/59/90/38/840599038.db2.gz JBDNOFXAIZQYPW-UHFFFAOYSA-N -1 0 361.445 -0.178 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](CCC(=O)OC)C(N)=O ZINC001188013998 840600227 /nfs/dbraw/zinc/60/02/27/840600227.db2.gz IKXAMWWJUHUOHI-LBPRGKRZSA-N -1 0 371.415 -0.015 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1nnsc1C1CC1 ZINC001188084944 840601541 /nfs/dbraw/zinc/60/15/41/840601541.db2.gz YIAFPPVYBKKOTL-UHFFFAOYSA-N -1 0 373.376 -0.874 20 0 FBADRM O=S(=O)(N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1cnc(Cl)c(Cl)c1 ZINC001188087990 840600851 /nfs/dbraw/zinc/60/08/51/840600851.db2.gz QOLSUULABFSTLC-KBHCAIDQSA-N -1 0 357.215 -0.231 20 0 FBADRM CC(C)C(=O)N(C)CC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001188102448 840603794 /nfs/dbraw/zinc/60/37/94/840603794.db2.gz KKRBYGLZKJNDSC-NWDGAFQWSA-N -1 0 350.423 -0.343 20 0 FBADRM O=S(=O)([N-]c1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O)C1CCC1 ZINC001188104320 840605459 /nfs/dbraw/zinc/60/54/59/840605459.db2.gz AMPZRNBMZYXSOX-LLHLLMPMSA-N -1 0 369.403 -0.239 20 0 FBADRM O=S(=O)([N-]c1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1)C1CCC1 ZINC001188104871 840605309 /nfs/dbraw/zinc/60/53/09/840605309.db2.gz LSBIFXYDUUHWSR-HBNTYKKESA-N -1 0 369.403 -0.239 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC)cc1 ZINC001188122278 840608207 /nfs/dbraw/zinc/60/82/07/840608207.db2.gz ZQOBFLJPSLYIPX-NSHDSACASA-N -1 0 358.372 -0.269 20 0 FBADRM Cc1cc(C)nc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001188136207 840609671 /nfs/dbraw/zinc/60/96/71/840609671.db2.gz XLCOCYGBBJSGAZ-UHFFFAOYSA-N -1 0 354.348 -0.591 20 0 FBADRM COC(=O)C1CCC([N-]S(=O)(=O)N=S(C)(C)=O)(C(=O)OC)CC1 ZINC001188263944 840616520 /nfs/dbraw/zinc/61/65/20/840616520.db2.gz OMPSBRCQSBAZRQ-UHFFFAOYSA-N -1 0 370.449 -0.177 20 0 FBADRM COc1cscc1C(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001188296491 840615443 /nfs/dbraw/zinc/61/54/43/840615443.db2.gz MIISRWKMXWLPRF-UHFFFAOYSA-N -1 0 361.361 -0.533 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CC(N3CCNC(=O)C3)C2)ccc1Cl ZINC001188299648 840614815 /nfs/dbraw/zinc/61/48/15/840614815.db2.gz VXSYSWHLEDAHAW-UHFFFAOYSA-N -1 0 373.818 -0.157 20 0 FBADRM CS(=O)(=O)N1CC(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC001188328203 840618155 /nfs/dbraw/zinc/61/81/55/840618155.db2.gz ARWGELLUNBZVNE-UHFFFAOYSA-N -1 0 368.820 -0.040 20 0 FBADRM NC(=O)c1nc(CNS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)no1 ZINC001188328289 840617762 /nfs/dbraw/zinc/61/77/62/840617762.db2.gz GPBCHKXHRCZHRP-UHFFFAOYSA-N -1 0 360.735 -0.001 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)ccc1Cl ZINC001188328649 840618325 /nfs/dbraw/zinc/61/83/25/840618325.db2.gz OKZGYQBJHQKLMY-ZNHSANFISA-N -1 0 365.791 -0.581 20 0 FBADRM CCc1cc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc(C)n1 ZINC001188333542 840617785 /nfs/dbraw/zinc/61/77/85/840617785.db2.gz CAUVMTOCUVCGEW-UHFFFAOYSA-N -1 0 368.375 -0.337 20 0 FBADRM COC(=O)[C@@H](CC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188335252 840618196 /nfs/dbraw/zinc/61/81/96/840618196.db2.gz PRJJXNRHRSXZKV-SECBINFHSA-N -1 0 364.763 -0.267 20 0 FBADRM C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)C(=O)NCC(N)=O ZINC001188336008 840618353 /nfs/dbraw/zinc/61/83/53/840618353.db2.gz RGQGHZIXCYFFHG-LURJTMIESA-N -1 0 363.779 -0.694 20 0 FBADRM COC(=O)CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1 ZINC001188344187 840619646 /nfs/dbraw/zinc/61/96/46/840619646.db2.gz XPKKVRHNLAWOPW-UHFFFAOYSA-N -1 0 364.401 -0.184 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]c1ccc(C(=O)N2CCOCC2)cn1 ZINC001188349427 840623849 /nfs/dbraw/zinc/62/38/49/840623849.db2.gz AQIAXEVVVMBHCI-UHFFFAOYSA-N -1 0 357.388 -0.141 20 0 FBADRM CCOC(=O)c1snc(C(N)=O)c1[N-]S(=O)(=O)CCC(=O)OC ZINC001188350277 840625424 /nfs/dbraw/zinc/62/54/24/840625424.db2.gz MEJNYSSZQIQCRO-UHFFFAOYSA-N -1 0 365.389 -0.277 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]c1c(C(N)=O)cnn1C1CCOCC1 ZINC001188352590 840625116 /nfs/dbraw/zinc/62/51/16/840625116.db2.gz HARGFTINNIRZCG-UHFFFAOYSA-N -1 0 360.392 -0.362 20 0 FBADRM CCOC(=O)Cn1cnc2c1ncnc2[N-]S(=O)(=O)CCC(=O)OC ZINC001188352618 840625428 /nfs/dbraw/zinc/62/54/28/840625428.db2.gz IKGLDMITYJOXQD-UHFFFAOYSA-N -1 0 371.375 -0.306 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]c1ncc(Br)nc1C(N)=O ZINC001188353440 840625160 /nfs/dbraw/zinc/62/51/60/840625160.db2.gz XRJWCSOTHSEYMF-UHFFFAOYSA-N -1 0 367.181 -0.357 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-]c1ncc(C(=O)OC)cc1C(=O)OC ZINC001188359970 840626442 /nfs/dbraw/zinc/62/64/42/840626442.db2.gz HQNPENUVIBWTJX-UHFFFAOYSA-N -1 0 360.344 -0.040 20 0 FBADRM CC(C)CS(=O)(=O)CC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001188363231 840620260 /nfs/dbraw/zinc/62/02/60/840620260.db2.gz ROCHFDMTHFHPIE-NWDGAFQWSA-N -1 0 371.463 -0.386 20 0 FBADRM COC(=O)CCS(=O)(=O)N1CCN(CCCCS(=O)(=O)[O-])CC1 ZINC001188379286 840623163 /nfs/dbraw/zinc/62/31/63/840623163.db2.gz RXNNFZJCLUGWPR-UHFFFAOYSA-N -1 0 372.465 -0.835 20 0 FBADRM COC(=O)CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]C(N)=O)cc1 ZINC001188393349 840624045 /nfs/dbraw/zinc/62/40/45/840624045.db2.gz FHWXUMIHFALSRF-UHFFFAOYSA-N -1 0 365.389 -0.652 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-][C@H](C(=O)OCc1ccccc1)[C@@H](C)O ZINC001188406007 840628804 /nfs/dbraw/zinc/62/88/04/840628804.db2.gz ARRJEIQWTKQAPO-RISCZKNCSA-N -1 0 359.400 -0.038 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-][C@@H](CC(=O)OC)C(=O)OC(C)(C)C ZINC001188406666 840629342 /nfs/dbraw/zinc/62/93/42/840629342.db2.gz PLDXZLAGLLTMIQ-VIFPVBQESA-N -1 0 353.393 -0.258 20 0 FBADRM COC(=O)CCS(=O)(=O)[N-][C@@H](C(=O)OCc1ccccc1)[C@@H](C)O ZINC001188410536 840629306 /nfs/dbraw/zinc/62/93/06/840629306.db2.gz ARRJEIQWTKQAPO-BXUZGUMPSA-N -1 0 359.400 -0.038 20 0 FBADRM NC(=O)NCCCCC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001188484918 840630124 /nfs/dbraw/zinc/63/01/24/840630124.db2.gz DOALZWXWCXEXOW-WDEREUQCSA-N -1 0 351.411 -0.618 20 0 FBADRM Cn1ncc(C(N)=O)c1[N-]S(=O)(=O)c1ccc(N2CCOCC2)nc1 ZINC001188489013 840632029 /nfs/dbraw/zinc/63/20/29/840632029.db2.gz TWZIAMJGPZRNLO-UHFFFAOYSA-N -1 0 366.403 -0.449 20 0 FBADRM Cn1ncc([N-]S(=O)(=O)c2ccc(N3CCOCC3)nc2)c1C(N)=O ZINC001188489640 840631726 /nfs/dbraw/zinc/63/17/26/840631726.db2.gz YWFVIBJENAZWTO-UHFFFAOYSA-N -1 0 366.403 -0.449 20 0 FBADRM O=S(=O)([N-]c1cnn(CCO)c1)c1ccc(N2CCOCC2)nc1 ZINC001188495001 840634127 /nfs/dbraw/zinc/63/41/27/840634127.db2.gz JPKPULFUSMXRPQ-UHFFFAOYSA-N -1 0 353.404 -0.092 20 0 FBADRM NC(=O)c1ncc([N-]S(=O)(=O)c2ccc(N3CCOCC3)nc2)cn1 ZINC001188495144 840633969 /nfs/dbraw/zinc/63/39/69/840633969.db2.gz JZZIGUWZZIYBIZ-UHFFFAOYSA-N -1 0 364.387 -0.392 20 0 FBADRM O=c1[nH]cnc([O-])c1NS(=O)(=O)c1ccc(N2CCOCC2)nc1 ZINC001188495803 840634003 /nfs/dbraw/zinc/63/40/03/840634003.db2.gz IZCOWTWWRJVHCY-UHFFFAOYSA-N -1 0 353.360 -0.080 20 0 FBADRM NC(=O)c1cc([N-]S(=O)(=O)c2ccc(N3CCOCC3)nc2)ccn1 ZINC001188496054 840634115 /nfs/dbraw/zinc/63/41/15/840634115.db2.gz XCKHMLVZPQDQDJ-UHFFFAOYSA-N -1 0 363.399 -0.365 20 0 FBADRM NC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(N2CCOCC2)nc1 ZINC001188496097 840634347 /nfs/dbraw/zinc/63/43/47/840634347.db2.gz YGMBGYFUNXTKNG-UHFFFAOYSA-N -1 0 364.387 -0.392 20 0 FBADRM NC(=O)c1cnc([N-]S(=O)(=O)c2ccc(N3CCOCC3)nc2)cn1 ZINC001188496177 840634253 /nfs/dbraw/zinc/63/42/53/840634253.db2.gz ZIVLMJBDVVXHAF-UHFFFAOYSA-N -1 0 364.387 -0.392 20 0 FBADRM NC(=O)c1cnoc1[N-]S(=O)(=O)c1ccc(N2CCOCC2)nc1 ZINC001188496911 840634086 /nfs/dbraw/zinc/63/40/86/840634086.db2.gz ZWPZVSVBTAVGLR-UHFFFAOYSA-N -1 0 353.360 -0.194 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cccn(C(F)F)c2=O)C(=O)N1S(=O)(=O)[O-] ZINC001188534864 840636673 /nfs/dbraw/zinc/63/66/73/840636673.db2.gz GZSJKJOKAJCHLD-FSPLSTOPSA-N -1 0 351.287 -0.625 20 0 FBADRM O=C1[N-]C(=O)[C@H](NS(=O)(=O)c2ccc(N3CCOCC3)nc2)S1 ZINC001188538563 840637505 /nfs/dbraw/zinc/63/75/05/840637505.db2.gz UIHQHUUWIDBOFZ-LLVKDONJSA-N -1 0 358.401 -0.494 20 0 FBADRM O=C1[N-]C(=O)[C@@H](NS(=O)(=O)c2ccc(N3CCOCC3)nc2)S1 ZINC001188538564 840637218 /nfs/dbraw/zinc/63/72/18/840637218.db2.gz UIHQHUUWIDBOFZ-NSHDSACASA-N -1 0 358.401 -0.494 20 0 FBADRM O=C([O-])CCC(=O)CNS(=O)(=O)c1ccc(N2CCOCC2)nc1 ZINC001188553930 840636191 /nfs/dbraw/zinc/63/61/91/840636191.db2.gz DOOMRNCZCQZWPF-UHFFFAOYSA-N -1 0 357.388 -0.370 20 0 FBADRM O=S(=O)([N-]c1cc(N2CCN(CCO)CC2)ncn1)c1ccoc1 ZINC001188576359 840638872 /nfs/dbraw/zinc/63/88/72/840638872.db2.gz LLCAUEQJJIONJP-UHFFFAOYSA-N -1 0 353.404 -0.015 20 0 FBADRM O=S(=O)([N-]c1ccnc2c(N(CCO)CCO)cnn21)c1ccoc1 ZINC001188579425 840638644 /nfs/dbraw/zinc/63/86/44/840638644.db2.gz BIEVWDWRJHNYAO-UHFFFAOYSA-N -1 0 367.387 -0.086 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccnc(Br)c2)C(=O)N1S(=O)(=O)[O-] ZINC001188621613 840640745 /nfs/dbraw/zinc/64/07/45/840640745.db2.gz YZSTWIDIXOLZOV-XNCJUZBTSA-N -1 0 364.177 -0.024 20 0 FBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)N(C)C ZINC001188624467 840640923 /nfs/dbraw/zinc/64/09/23/840640923.db2.gz ANDHLIVJKZLPFX-KPWVOAKYSA-N -1 0 365.433 -0.642 20 0 FBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)N(C)C ZINC001188624471 840641541 /nfs/dbraw/zinc/64/15/41/840641541.db2.gz ANDHLIVJKZLPFX-RKFFSXRUSA-N -1 0 365.433 -0.642 20 0 FBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)N(C)C ZINC001188624473 840641079 /nfs/dbraw/zinc/64/10/79/840641079.db2.gz ANDHLIVJKZLPFX-SAHAZLINSA-N -1 0 365.433 -0.642 20 0 FBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)N(C)C ZINC001188624475 840641161 /nfs/dbraw/zinc/64/11/61/840641161.db2.gz ANDHLIVJKZLPFX-XFNZEKPQSA-N -1 0 365.433 -0.642 20 0 FBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc1ncsc1Br ZINC001188625005 840641212 /nfs/dbraw/zinc/64/12/12/840641212.db2.gz KGYQIQYPWLSZBP-RXMQYKEDSA-N -1 0 359.223 -0.141 20 0 FBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)Cc1ncsc1Br ZINC001188625010 840641113 /nfs/dbraw/zinc/64/11/13/840641113.db2.gz KGYQIQYPWLSZBP-YFKPBYRVSA-N -1 0 359.223 -0.141 20 0 FBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1 ZINC001188625162 840641372 /nfs/dbraw/zinc/64/13/72/840641372.db2.gz PIEFNXQTFOUIDW-SSDOTTSWSA-N -1 0 355.752 -0.078 20 0 FBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1 ZINC001188625163 840641059 /nfs/dbraw/zinc/64/10/59/840641059.db2.gz PIEFNXQTFOUIDW-ZETCQYMHSA-N -1 0 355.752 -0.078 20 0 FBADRM CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)c3ccncc3[O-])C[C@H]2C1 ZINC001188629999 840641342 /nfs/dbraw/zinc/64/13/42/840641342.db2.gz UIRQXCNIFHNQGV-NEPJUHHUSA-N -1 0 354.432 -0.013 20 0 FBADRM Cc1cccc(O)c1C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001188639520 840640802 /nfs/dbraw/zinc/64/08/02/840640802.db2.gz ZYCUWVIPMDHGTP-UHFFFAOYSA-N -1 0 355.332 -0.589 20 0 FBADRM COC(=O)[C@H](CC(C)C)NC(=O)C[N-]S(=O)(=O)N=S(C)(C)=O ZINC001188731625 840646596 /nfs/dbraw/zinc/64/65/96/840646596.db2.gz DVTBNAAJQKONGZ-VIFPVBQESA-N -1 0 357.454 -0.748 20 0 FBADRM CC(=O)OCCCS(=O)(=O)N[C@@H](CO)C(=O)OCc1ccccc1 ZINC001188750883 840645395 /nfs/dbraw/zinc/64/53/95/840645395.db2.gz INFHKPJCZJVCOJ-AWEZNQCLSA-N -1 0 359.400 -0.037 20 0 FBADRM CC(=O)OCCCS(=O)(=O)N[C@H](CO)C(=O)OCc1ccccc1 ZINC001188750884 840645445 /nfs/dbraw/zinc/64/54/45/840645445.db2.gz INFHKPJCZJVCOJ-CQSZACIVSA-N -1 0 359.400 -0.037 20 0 FBADRM COC(=O)CCCS(=O)(=O)N[C@H](CO)C(=O)OCc1ccccc1 ZINC001188751223 840645119 /nfs/dbraw/zinc/64/51/19/840645119.db2.gz LUDSZIVEBMTXQM-CYBMUJFWSA-N -1 0 359.400 -0.037 20 0 FBADRM COC(=O)CCCS(=O)(=O)N[C@@H](CO)C(=O)OCc1ccccc1 ZINC001188751224 840645039 /nfs/dbraw/zinc/64/50/39/840645039.db2.gz LUDSZIVEBMTXQM-ZDUSSCGKSA-N -1 0 359.400 -0.037 20 0 FBADRM COc1cccc(C)c1C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001188785210 840648745 /nfs/dbraw/zinc/64/87/45/840648745.db2.gz JBWZKPWEXHKNMN-UHFFFAOYSA-N -1 0 369.359 -0.286 20 0 FBADRM O=S(=O)(CC1CC1)[N-]c1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O ZINC001188930709 840653729 /nfs/dbraw/zinc/65/37/29/840653729.db2.gz PKPDNPKPZVXMHR-IMSIIYSGSA-N -1 0 369.403 -0.381 20 0 FBADRM O=S(=O)(CC1CC1)[N-]c1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC001188931010 840653773 /nfs/dbraw/zinc/65/37/73/840653773.db2.gz SEUIAWJGWZHFHD-HBNTYKKESA-N -1 0 369.403 -0.381 20 0 FBADRM COC(=O)[C@@H](O)CCn1cnc2c1ncnc2[N-]S(=O)(=O)CC1CC1 ZINC001188937975 840654204 /nfs/dbraw/zinc/65/42/04/840654204.db2.gz XMBUUBNHWFMVKV-JTQLQIEISA-N -1 0 369.403 -0.098 20 0 FBADRM COC(=O)[C@H](O)CCn1cnc2c1ncnc2[N-]S(=O)(=O)CC1CC1 ZINC001188937977 840653529 /nfs/dbraw/zinc/65/35/29/840653529.db2.gz XMBUUBNHWFMVKV-SNVBAGLBSA-N -1 0 369.403 -0.098 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cn(C)nc2C(F)(F)F)C(=O)N1S(=O)(=O)[O-] ZINC001188962359 840655165 /nfs/dbraw/zinc/65/51/65/840655165.db2.gz FXTWANHTUNHPIV-NJGYIYPDSA-N -1 0 356.282 -0.429 20 0 FBADRM O=C(CC[N-]C(=O)C(F)(F)F)CN1C(=O)c2cccnc2S1(=O)=O ZINC001189003215 840656762 /nfs/dbraw/zinc/65/67/62/840656762.db2.gz COWQQWCLMANHNB-UHFFFAOYSA-N -1 0 365.289 -0.136 20 0 FBADRM CCO[C@@H]1C[C@@H](NS(=O)(=O)CCS(=O)(=O)N(C)C)[C@]12CCCO2 ZINC001189071910 840661640 /nfs/dbraw/zinc/66/16/40/840661640.db2.gz LJWQULDAIWHEIQ-JHJVBQTASA-N -1 0 370.493 -0.476 20 0 FBADRM CCO[C@@H]1C[C@@H](NS(=O)(=O)CCS(=O)(=O)N(C)C)[C@@]12CCCO2 ZINC001189071911 840661604 /nfs/dbraw/zinc/66/16/04/840661604.db2.gz LJWQULDAIWHEIQ-UPJWGTAASA-N -1 0 370.493 -0.476 20 0 FBADRM CCO[C@@H]1C[C@H](NS(=O)(=O)CCS(=O)(=O)N(C)C)[C@@]12CCCO2 ZINC001189071912 840661019 /nfs/dbraw/zinc/66/10/19/840661019.db2.gz LJWQULDAIWHEIQ-XQQFMLRXSA-N -1 0 370.493 -0.476 20 0 FBADRM CCO[C@@H]1C[C@H](NS(=O)(=O)CCS(=O)(=O)N(C)C)[C@]12CCCO2 ZINC001189071913 840661037 /nfs/dbraw/zinc/66/10/37/840661037.db2.gz LJWQULDAIWHEIQ-YNEHKIRRSA-N -1 0 370.493 -0.476 20 0 FBADRM COc1cc(C(=O)NC(=N)SCCS(=O)(=O)[O-])c(OC)nn1 ZINC001189078160 840662855 /nfs/dbraw/zinc/66/28/55/840662855.db2.gz HQNJHAPGRVEHTL-UHFFFAOYSA-N -1 0 350.378 -0.221 20 0 FBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1 ZINC001189080768 840662842 /nfs/dbraw/zinc/66/28/42/840662842.db2.gz UZWJWBVRMUFIHM-FQEVSTJZSA-N -1 0 351.332 -0.003 20 0 FBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1 ZINC001189080770 840662788 /nfs/dbraw/zinc/66/27/88/840662788.db2.gz UZWJWBVRMUFIHM-HXUWFJFHSA-N -1 0 351.332 -0.003 20 0 FBADRM COC(=O)C1(CS(=O)(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)CC1 ZINC001189087794 840662338 /nfs/dbraw/zinc/66/23/38/840662338.db2.gz JDXZFCGZVHMJHS-CYBMUJFWSA-N -1 0 351.421 -0.048 20 0 FBADRM COC(=O)C1(CS(=O)(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)CC1 ZINC001189087798 840662473 /nfs/dbraw/zinc/66/24/73/840662473.db2.gz JDXZFCGZVHMJHS-ZDUSSCGKSA-N -1 0 351.421 -0.048 20 0 FBADRM COc1cc(C(=O)NC(=N)SCCS(=O)(=O)[O-])nc(OC)n1 ZINC001189101707 840663887 /nfs/dbraw/zinc/66/38/87/840663887.db2.gz PLMOTSBXACMNQT-UHFFFAOYSA-N -1 0 350.378 -0.221 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1ccc(CO)o1 ZINC001189160472 840666949 /nfs/dbraw/zinc/66/69/49/840666949.db2.gz NIRUZYQMSOATLN-NSHDSACASA-N -1 0 350.331 -0.573 20 0 FBADRM COc1cc(OC)nc(C(=O)NC(=N)SCCS(=O)(=O)[O-])n1 ZINC001189236611 840669930 /nfs/dbraw/zinc/66/99/30/840669930.db2.gz RKYRWQRJCULRMK-UHFFFAOYSA-N -1 0 350.378 -0.221 20 0 FBADRM CC(C)(C)c1cc(C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)n[nH]1 ZINC001189240501 840669316 /nfs/dbraw/zinc/66/93/16/840669316.db2.gz UMVTXUXMKYRVNE-UHFFFAOYSA-N -1 0 371.379 -0.582 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1 ZINC001189247734 840670544 /nfs/dbraw/zinc/67/05/44/840670544.db2.gz GHLWIZFNBCKCIK-CPCISQLKSA-N -1 0 362.385 -0.430 20 0 FBADRM COCc1ccc(C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)o1 ZINC001189254621 840672657 /nfs/dbraw/zinc/67/26/57/840672657.db2.gz HWCMSKRRRXTRAH-UHFFFAOYSA-N -1 0 359.320 -0.864 20 0 FBADRM CC(C)n1nccc1C(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001189361173 840677464 /nfs/dbraw/zinc/67/74/64/840677464.db2.gz SKAXWRAXCCWPOS-UHFFFAOYSA-N -1 0 357.352 -0.826 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cnc(N2CCOCC2)nc1 ZINC001189396154 840677332 /nfs/dbraw/zinc/67/73/32/840677332.db2.gz ZBRLCPAZQGYCLK-NSHDSACASA-N -1 0 352.347 -0.551 20 0 FBADRM CS(=O)(=O)CCCC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001189418563 840681200 /nfs/dbraw/zinc/68/12/00/840681200.db2.gz DZPKAYDCVDRLRR-WDEREUQCSA-N -1 0 357.436 -0.632 20 0 FBADRM Cn1c(=O)cc(C(=O)Nc2nc[n-]c(=O)c2Br)n(C)c1=O ZINC001189422027 840680673 /nfs/dbraw/zinc/68/06/73/840680673.db2.gz IOEXLMLKMZJTKI-UHFFFAOYSA-N -1 0 356.136 -0.406 20 0 FBADRM C[C@H]1[C@H](NS(=O)(=O)Cc2cccc(F)c2F)C(=O)N1S(=O)(=O)[O-] ZINC001189472487 840682068 /nfs/dbraw/zinc/68/20/68/840682068.db2.gz RVPDKXHTYPHHTK-WKEGUHRASA-N -1 0 370.355 -0.214 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cc(-c3ccccn3)n[nH]2)C(=O)N1S(=O)(=O)[O-] ZINC001189474136 840682134 /nfs/dbraw/zinc/68/21/34/840682134.db2.gz RZOXHLCMLFSHNZ-CPCISQLKSA-N -1 0 351.344 -0.396 20 0 FBADRM Cn1nc(C(=O)Nc2ccc(CC(=O)[N-]S(C)(=O)=O)cc2)ccc1=O ZINC001189496447 840684944 /nfs/dbraw/zinc/68/49/44/840684944.db2.gz AGXXVWPPDCMSLF-UHFFFAOYSA-N -1 0 364.383 -0.349 20 0 FBADRM COc1cc(S(N)(=O)=O)cc(C(=O)NC2C(=O)N=CN=C2[O-])c1OC ZINC001189554962 840687676 /nfs/dbraw/zinc/68/76/76/840687676.db2.gz KGMMCCGLVBGMCD-UHFFFAOYSA-N -1 0 370.343 -0.195 20 0 FBADRM COc1cc(S(N)(=O)=O)cc(C(=O)NCc2n[nH]c(=O)[n-]2)c1OC ZINC001189568565 840688751 /nfs/dbraw/zinc/68/87/51/840688751.db2.gz AMQBRLVBFNLDRM-UHFFFAOYSA-N -1 0 357.348 -0.895 20 0 FBADRM COc1cc(S(N)(=O)=O)cc(C(=O)NCC(=O)CCC(=O)[O-])c1OC ZINC001189569983 840689988 /nfs/dbraw/zinc/68/99/88/840689988.db2.gz WFVJRGVIMRYNRE-UHFFFAOYSA-N -1 0 374.371 -0.485 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cc(C(F)(F)F)nn2C)C(=O)N1S(=O)(=O)[O-] ZINC001189607848 840691711 /nfs/dbraw/zinc/69/17/11/840691711.db2.gz KGEJFSAUAUTGLA-FFWSUHOLSA-N -1 0 356.282 -0.429 20 0 FBADRM CCOC(=O)CCCCCNC(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001189675978 840692966 /nfs/dbraw/zinc/69/29/66/840692966.db2.gz WUMFHDJEUDJHPH-ONGXEEELSA-N -1 0 365.408 -0.189 20 0 FBADRM CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccccc1S(=O)(=O)[O-] ZINC001189682961 840692974 /nfs/dbraw/zinc/69/29/74/840692974.db2.gz POGKFILTFPZDRD-LLVKDONJSA-N -1 0 370.383 -0.173 20 0 FBADRM CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccccc1S(=O)(=O)[O-] ZINC001189682962 840693033 /nfs/dbraw/zinc/69/30/33/840693033.db2.gz POGKFILTFPZDRD-NSHDSACASA-N -1 0 370.383 -0.173 20 0 FBADRM CN1CCN(C2CN(C(=O)c3ccccc3S(=O)(=O)[O-])C2)CC1=O ZINC001189689886 840694038 /nfs/dbraw/zinc/69/40/38/840694038.db2.gz NWRROOVLORAWME-UHFFFAOYSA-N -1 0 353.400 -0.468 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)c2ccccc2S(=O)(=O)[O-])CCN1C(C)=O ZINC001189690414 840694555 /nfs/dbraw/zinc/69/45/55/840694555.db2.gz WBHGMOXFELQTBN-GFCCVEGCSA-N -1 0 370.383 -0.221 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)[O-])CCN1C(C)=O ZINC001189690416 840693811 /nfs/dbraw/zinc/69/38/11/840693811.db2.gz WBHGMOXFELQTBN-LBPRGKRZSA-N -1 0 370.383 -0.221 20 0 FBADRM O=C(NCCOCCN1C(=O)C=CC1=O)c1ccccc1S(=O)(=O)[O-] ZINC001189703129 840694104 /nfs/dbraw/zinc/69/41/04/840694104.db2.gz DADRATUNHJAAIU-UHFFFAOYSA-N -1 0 368.367 -0.395 20 0 FBADRM C[C@H]1[C@H](NS(=O)(=O)Cc2cc(F)ccc2F)C(=O)N1S(=O)(=O)[O-] ZINC001189705921 840694607 /nfs/dbraw/zinc/69/46/07/840694607.db2.gz IFHPLSXJEOLDOB-WKEGUHRASA-N -1 0 370.355 -0.214 20 0 FBADRM COCCCOCCC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001189712181 840694387 /nfs/dbraw/zinc/69/43/87/840694387.db2.gz CZHRVQIBGINZRW-QWHCGFSZSA-N -1 0 353.423 -0.014 20 0 FBADRM CC(C)(C)S(=O)(=O)CC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001189810873 840700073 /nfs/dbraw/zinc/70/00/73/840700073.db2.gz KVQLXOCQVHHJPL-WDEREUQCSA-N -1 0 371.463 -0.244 20 0 FBADRM O=c1nc(CCNS(=O)(=O)C[C@H]2CCC3(CCOCC3)CO2)[n-]o1 ZINC001189811658 840699440 /nfs/dbraw/zinc/69/94/40/840699440.db2.gz CQKFSWWMHSQGMG-LLVKDONJSA-N -1 0 361.420 -0.199 20 0 FBADRM O=c1nc(CCNS(=O)(=O)C[C@@H]2CCC3(CCOCC3)CO2)[n-]o1 ZINC001189811659 840700041 /nfs/dbraw/zinc/70/00/41/840700041.db2.gz CQKFSWWMHSQGMG-NSHDSACASA-N -1 0 361.420 -0.199 20 0 FBADRM CCCn1ccc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)n1 ZINC001189814777 840699919 /nfs/dbraw/zinc/69/99/19/840699919.db2.gz WIFZOQZAIATDAV-UHFFFAOYSA-N -1 0 357.352 -0.996 20 0 FBADRM CCNC(=O)CCCC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001189835298 840700119 /nfs/dbraw/zinc/70/01/19/840700119.db2.gz FPJOHFHVCDORCG-NWDGAFQWSA-N -1 0 350.423 -0.151 20 0 FBADRM C[C@H]1[C@H](NS(=O)(=O)Cc2ccc(F)cc2F)C(=O)N1S(=O)(=O)[O-] ZINC001189842433 840702201 /nfs/dbraw/zinc/70/22/01/840702201.db2.gz GHCNWOXTKHMLLS-WKEGUHRASA-N -1 0 370.355 -0.214 20 0 FBADRM CCCNC(=O)CCC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001189842851 840702615 /nfs/dbraw/zinc/70/26/15/840702615.db2.gz CDJDZQNXSZVPSC-NWDGAFQWSA-N -1 0 350.423 -0.151 20 0 FBADRM CN(C)C(=O)CCCC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001189857381 840701491 /nfs/dbraw/zinc/70/14/91/840701491.db2.gz NOCPSKINPRTRON-NWDGAFQWSA-N -1 0 350.423 -0.199 20 0 FBADRM CC(=O)Nc1nc(C)c(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)s1 ZINC001189890026 840705113 /nfs/dbraw/zinc/70/51/13/840705113.db2.gz MOUBSVUIYBLCBU-FSPLSTOPSA-N -1 0 362.389 -0.458 20 0 FBADRM CCOC(=O)CNC(=O)N1CCN(CCCCS(=O)(=O)[O-])CC1 ZINC001189896473 840705281 /nfs/dbraw/zinc/70/52/81/840705281.db2.gz KNMPSSJUJOCEEQ-UHFFFAOYSA-N -1 0 351.425 -0.455 20 0 FBADRM [NH3+]CCN(CCNC(=O)c1ccccc1OP(=O)([O-])[O-])N(O)N=O ZINC001189899307 840704515 /nfs/dbraw/zinc/70/45/15/840704515.db2.gz OBDDTURJUQPXER-UHFFFAOYSA-N -1 0 363.267 -0.564 20 0 FBADRM CCOC(=O)CNC(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1 ZINC001189911640 840703455 /nfs/dbraw/zinc/70/34/55/840703455.db2.gz CGNSBUPNTUMTBM-UHFFFAOYSA-N -1 0 357.388 -0.011 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(C(=O)OC)ccn2)C1=O ZINC001189926939 840705173 /nfs/dbraw/zinc/70/51/73/840705173.db2.gz JVVROHRRROQVOH-CYBMUJFWSA-N -1 0 356.360 -0.218 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(C(=O)OC)ccn2)C1=O ZINC001189926941 840704733 /nfs/dbraw/zinc/70/47/33/840704733.db2.gz JVVROHRRROQVOH-ZDUSSCGKSA-N -1 0 356.360 -0.218 20 0 FBADRM Cc1ncc(C[NH3+])c(=N)n1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189933446 840706113 /nfs/dbraw/zinc/70/61/13/840706113.db2.gz KTHXJSVNRNGECC-UHFFFAOYSA-N -1 0 366.355 -0.237 20 0 FBADRM N=c1cc(C[NH3+])ncn1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189934702 840705894 /nfs/dbraw/zinc/70/58/94/840705894.db2.gz WQCAHRRAPDLPBL-UHFFFAOYSA-N -1 0 352.328 -0.545 20 0 FBADRM CCOC(=O)CN(CC[NH3+])C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189941154 840707494 /nfs/dbraw/zinc/70/74/94/840707494.db2.gz BGYWHYHVUGCTNR-UHFFFAOYSA-N -1 0 374.371 -0.405 20 0 FBADRM C[NH+]1CCC(CO)(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)CC1 ZINC001189941266 840707701 /nfs/dbraw/zinc/70/77/01/840707701.db2.gz HAAPXFCVURMEJA-UHFFFAOYSA-N -1 0 372.399 -0.182 20 0 FBADRM N=c1ncc(C[NH3+])cn1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189941822 840707382 /nfs/dbraw/zinc/70/73/82/840707382.db2.gz RYFYHZMOSMXJGA-UHFFFAOYSA-N -1 0 352.328 -0.545 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc(-n3cccn3)nc2)C(=O)N1S(=O)(=O)[O-] ZINC001189971452 840706371 /nfs/dbraw/zinc/70/63/71/840706371.db2.gz GRNDLTJSBRMOAQ-KWQFWETISA-N -1 0 351.344 -0.601 20 0 FBADRM N[C@@H]1NCN(C(=O)c2cc(Br)ccc2[S-])[C@@H]2NCN[C@H]21 ZINC001189979294 840707733 /nfs/dbraw/zinc/70/77/33/840707733.db2.gz SQJLDCBMDSZIPX-AXFHLTTASA-N -1 0 358.265 -0.130 20 0 FBADRM N[C@@H]1NCN(C(=O)c2cc(Br)ccc2[S-])[C@H]2NCN[C@@H]21 ZINC001189979295 840707279 /nfs/dbraw/zinc/70/72/79/840707279.db2.gz SQJLDCBMDSZIPX-GMTAPVOTSA-N -1 0 358.265 -0.130 20 0 FBADRM N[C@@H]1NCN(C(=O)c2cc(Br)ccc2[S-])[C@H]2NCN[C@H]21 ZINC001189979296 840707557 /nfs/dbraw/zinc/70/75/57/840707557.db2.gz SQJLDCBMDSZIPX-HBNTYKKESA-N -1 0 358.265 -0.130 20 0 FBADRM N[C@@H]1NCN(C(=O)c2cc(Br)ccc2[S-])[C@@H]2NCN[C@@H]21 ZINC001189979297 840707707 /nfs/dbraw/zinc/70/77/07/840707707.db2.gz SQJLDCBMDSZIPX-MXWKQRLJSA-N -1 0 358.265 -0.130 20 0 FBADRM CC(=O)N(C)CCCC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001189986271 840708588 /nfs/dbraw/zinc/70/85/88/840708588.db2.gz KFKXPVVWZWVSSA-QWHCGFSZSA-N -1 0 350.423 -0.199 20 0 FBADRM CCc1nc(C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)cs1 ZINC001190032782 840711329 /nfs/dbraw/zinc/71/13/29/840711329.db2.gz UBWJEVKFMYTPDM-UHFFFAOYSA-N -1 0 360.377 -0.584 20 0 FBADRM COc1nc(S(=O)(=O)NCc2noc(C(=O)N(C)C)n2)ccc1F ZINC001190110930 840715488 /nfs/dbraw/zinc/71/54/88/840715488.db2.gz BKGUZJBYPNVRRN-UHFFFAOYSA-N -1 0 359.339 -0.207 20 0 FBADRM COc1nc(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)ccc1F ZINC001190111478 840715741 /nfs/dbraw/zinc/71/57/41/840715741.db2.gz LBBJGZBJOSUVQN-UHFFFAOYSA-N -1 0 367.424 -0.068 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(F)c(OC)n1 ZINC001190116530 840717387 /nfs/dbraw/zinc/71/73/87/840717387.db2.gz CSCHPIWQEFUGBA-QMMMGPOBSA-N -1 0 350.324 -0.086 20 0 FBADRM CC[C@H](C)[C@H](NC(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)C(=O)OC ZINC001190176333 840718802 /nfs/dbraw/zinc/71/88/02/840718802.db2.gz YXYPEROFWNLEQB-JBDRJPRFSA-N -1 0 351.381 -0.725 20 0 FBADRM O=C(NCC[N-]S(=O)(=O)c1ncc(F)cc1F)N1CCOCC1 ZINC001190196541 840722978 /nfs/dbraw/zinc/72/29/78/840722978.db2.gz GVYVLASZIRZEJJ-UHFFFAOYSA-N -1 0 350.347 -0.320 20 0 FBADRM O=S(=O)([N-]CCOCCOCCOCCO)c1ncc(F)cc1F ZINC001190197410 840723058 /nfs/dbraw/zinc/72/30/58/840723058.db2.gz ZRBDPUQKCXNDOP-UHFFFAOYSA-N -1 0 370.374 -0.320 20 0 FBADRM CC(=O)N[C@@H](CCCC[N-]S(=O)(=O)c1ncc(F)cc1F)C(N)=O ZINC001190207634 840723615 /nfs/dbraw/zinc/72/36/15/840723615.db2.gz SHNUWAQFFUSELD-NSHDSACASA-N -1 0 364.374 -0.202 20 0 FBADRM O=S(=O)([N-]CCN1CCS(=O)(=O)CC1)c1ncc(F)cc1F ZINC001190208440 840724057 /nfs/dbraw/zinc/72/40/57/840724057.db2.gz JRGLLPIOGAFZJB-UHFFFAOYSA-N -1 0 355.388 -0.632 20 0 FBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190208685 840724100 /nfs/dbraw/zinc/72/41/00/840724100.db2.gz NLVKLQIQPYFJED-BQBZGAKWSA-N -1 0 351.331 -0.296 20 0 FBADRM O=S(=O)([N-]CCCN1CCS(=O)(=O)CC1)c1ncc(F)cc1F ZINC001190210351 840723908 /nfs/dbraw/zinc/72/39/08/840723908.db2.gz XRBOVVDYFDQTNE-UHFFFAOYSA-N -1 0 369.415 -0.241 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cc(CN2CCOCC2)on1 ZINC001190211651 840725059 /nfs/dbraw/zinc/72/50/59/840725059.db2.gz WOZAGJLXXLDKLR-NSHDSACASA-N -1 0 355.347 -0.357 20 0 FBADRM CC[C@@H](C)C(=O)NCC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001190212920 840725591 /nfs/dbraw/zinc/72/55/91/840725591.db2.gz OJEUJCPZWFXKSY-GRYCIOLGSA-N -1 0 350.423 -0.295 20 0 FBADRM CC[C@H](C)C(=O)NCC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001190212921 840725660 /nfs/dbraw/zinc/72/56/60/840725660.db2.gz OJEUJCPZWFXKSY-SDDRHHMPSA-N -1 0 350.423 -0.295 20 0 FBADRM CC(C)C[C@H]([N-]S(=O)(=O)c1ncc(F)cc1F)C(=O)NCC(N)=O ZINC001190214577 840725397 /nfs/dbraw/zinc/72/53/97/840725397.db2.gz TZVMWTAONVORLK-JTQLQIEISA-N -1 0 364.374 -0.346 20 0 FBADRM CC(C)[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ncc(F)cc1F)C(N)=O ZINC001190216896 840725331 /nfs/dbraw/zinc/72/53/31/840725331.db2.gz BPRCIFHLGZDVEJ-XVKPBYJWSA-N -1 0 364.374 -0.347 20 0 FBADRM CC(C)S(=O)(=O)CC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001190221226 840719847 /nfs/dbraw/zinc/71/98/47/840719847.db2.gz PLVIVMXTTRVKMP-WDEREUQCSA-N -1 0 357.436 -0.634 20 0 FBADRM CCCS(=O)(=O)CC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001190247402 840724761 /nfs/dbraw/zinc/72/47/61/840724761.db2.gz IJDOTOMSFMEOAJ-WDEREUQCSA-N -1 0 357.436 -0.632 20 0 FBADRM CCOCCO[C@H](C)C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001190334401 840730009 /nfs/dbraw/zinc/73/00/09/840730009.db2.gz VAGHLZDXPBKZPM-FRRDWIJNSA-N -1 0 353.423 -0.015 20 0 FBADRM CCOCCO[C@@H](C)C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001190334402 840729940 /nfs/dbraw/zinc/72/99/40/840729940.db2.gz VAGHLZDXPBKZPM-RWMBFGLXSA-N -1 0 353.423 -0.015 20 0 FBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001190370935 840733148 /nfs/dbraw/zinc/73/31/48/840733148.db2.gz LXMKWZBLYQVNRY-GARJFASQSA-N -1 0 357.436 -0.776 20 0 FBADRM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001190370940 840733120 /nfs/dbraw/zinc/73/31/20/840733120.db2.gz LXMKWZBLYQVNRY-OUAUKWLOSA-N -1 0 357.436 -0.776 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)C1 ZINC001190373149 840734014 /nfs/dbraw/zinc/73/40/14/840734014.db2.gz SUXGIIGHPXMZFH-RKDXNWHRSA-N -1 0 357.454 -0.471 20 0 FBADRM CCCCS(=O)(=O)CC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001190386374 840732882 /nfs/dbraw/zinc/73/28/82/840732882.db2.gz OTKCLPMMPIBXGM-NWDGAFQWSA-N -1 0 371.463 -0.242 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccccc2-n2ccnn2)C(=O)N1S(=O)(=O)[O-] ZINC001190396564 840733209 /nfs/dbraw/zinc/73/32/09/840733209.db2.gz GGSKQPJCRKNEMJ-KWQFWETISA-N -1 0 351.344 -0.601 20 0 FBADRM CNC(=O)CCCCC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001190416458 840733742 /nfs/dbraw/zinc/73/37/42/840733742.db2.gz GSEHDDUIOPHKAZ-NWDGAFQWSA-N -1 0 350.423 -0.151 20 0 FBADRM C[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1F)C(=O)N[C@@H](C)C(N)=O ZINC001190420154 840733967 /nfs/dbraw/zinc/73/39/67/840733967.db2.gz RRYNZHSNCKIZQJ-WDSKDSINSA-N -1 0 353.322 -0.239 20 0 FBADRM CCOC(=O)CC[C@H](NC(=O)N[C@@H]1SC(=O)[N-]C1=O)C(=O)OCC ZINC001190481259 840735539 /nfs/dbraw/zinc/73/55/39/840735539.db2.gz AEHNHHKMCSEJHI-OIBJUYFYSA-N -1 0 361.376 -0.130 20 0 FBADRM CCOC(=O)CC[C@H](NC(=O)N[C@H]1SC(=O)[N-]C1=O)C(=O)OCC ZINC001190481261 840735974 /nfs/dbraw/zinc/73/59/74/840735974.db2.gz AEHNHHKMCSEJHI-XVKPBYJWSA-N -1 0 361.376 -0.130 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc(OC3COC3)c(F)c2)C(=O)N1S(=O)(=O)[O-] ZINC001190483382 840735963 /nfs/dbraw/zinc/73/59/63/840735963.db2.gz FQSYLJSQYJWQNN-MADCSZMMSA-N -1 0 374.346 -0.265 20 0 FBADRM CCOC(=O)CC[C@H](NC(=O)NCC[P@@](=O)([O-])O)C(=O)OCC ZINC001190486701 840735789 /nfs/dbraw/zinc/73/57/89/840735789.db2.gz JJFPVZNMYAUOHI-VIFPVBQESA-N -1 0 354.296 -0.262 20 0 FBADRM CCOC(=O)CC[C@H](NC(=O)NCC(=O)CCC(=O)[O-])C(=O)OCC ZINC001190495116 840741197 /nfs/dbraw/zinc/74/11/97/840741197.db2.gz JSXNNZYTHBFRPL-NSHDSACASA-N -1 0 360.363 -0.006 20 0 FBADRM O=C(COC[C@@H]1CCCO1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001190518842 840739360 /nfs/dbraw/zinc/73/93/60/840739360.db2.gz PVNDNWHBEIAWAK-RWMBFGLXSA-N -1 0 351.407 -0.261 20 0 FBADRM O=C(COC[C@H]1CCCO1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001190518845 840739393 /nfs/dbraw/zinc/73/93/93/840739393.db2.gz PVNDNWHBEIAWAK-YNEHKIRRSA-N -1 0 351.407 -0.261 20 0 FBADRM COC(=O)[C@H](C)NC(=O)N1CCN(CCCCS(=O)(=O)[O-])CC1 ZINC001190538108 840741219 /nfs/dbraw/zinc/74/12/19/840741219.db2.gz GYYSNRSSCMNRDW-NSHDSACASA-N -1 0 351.425 -0.457 20 0 FBADRM COC(=O)[C@H](C)NC(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1 ZINC001190552232 840742347 /nfs/dbraw/zinc/74/23/47/840742347.db2.gz LFYNSSBJIHUFEU-VIFPVBQESA-N -1 0 357.388 -0.012 20 0 FBADRM O=C(NCS(=O)(=O)[O-])c1cc(I)c[nH]c1=O ZINC001190614139 840746602 /nfs/dbraw/zinc/74/66/02/840746602.db2.gz MEWNYZGUJVWASS-UHFFFAOYSA-N -1 0 358.113 -0.033 20 0 FBADRM Cc1nc([N-]S(=O)(=O)c2ncc[nH]2)cc(N2CCN(CCO)CC2)n1 ZINC001190689285 840755481 /nfs/dbraw/zinc/75/54/81/840755481.db2.gz DRKCWXBTIHPBHQ-UHFFFAOYSA-N -1 0 367.435 -0.577 20 0 FBADRM O=S(=O)([N-]c1cc(N2CCN(CCO)CC2)ncn1)c1ncc[nH]1 ZINC001190689713 840755592 /nfs/dbraw/zinc/75/55/92/840755592.db2.gz PNDBLMYDTWQKFR-UHFFFAOYSA-N -1 0 353.408 -0.885 20 0 FBADRM O=S(=O)([N-]c1ncnc2c1ncn2[C@H]1C=C[C@@H](CO)O1)c1ncc[nH]1 ZINC001190689723 840756980 /nfs/dbraw/zinc/75/69/80/840756980.db2.gz PZRFJZUZWFVVIO-DTWKUNHWSA-N -1 0 363.359 -0.204 20 0 FBADRM CCOC(=O)Cn1cnc2c1ncnc2[N-]S(=O)(=O)c1ncc[nH]1 ZINC001190690256 840756912 /nfs/dbraw/zinc/75/69/12/840756912.db2.gz XWNMBEHDZJKYHK-UHFFFAOYSA-N -1 0 351.348 -0.087 20 0 FBADRM O=S(=O)([N-]c1ccnc2c(N(CCO)CCO)cnn21)c1ncc[nH]1 ZINC001190694497 840757278 /nfs/dbraw/zinc/75/72/78/840757278.db2.gz PXSPYGPSVPYSGW-UHFFFAOYSA-N -1 0 367.391 -0.956 20 0 FBADRM CN(C)C(=O)CN1CC[C@]2(CCCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001190697797 840752217 /nfs/dbraw/zinc/75/22/17/840752217.db2.gz AJTQRVLAFBDFOZ-HNNXBMFYSA-N -1 0 369.447 -0.499 20 0 FBADRM CN(C)C(=O)CN1CC[C@@]2(CCCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001190697798 840751739 /nfs/dbraw/zinc/75/17/39/840751739.db2.gz AJTQRVLAFBDFOZ-OAHLLOKOSA-N -1 0 369.447 -0.499 20 0 FBADRM Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3S(=O)(=O)c2ncc[n-]2)cn1 ZINC001190697802 840752392 /nfs/dbraw/zinc/75/23/92/840752392.db2.gz AKYUISLYNKLCDK-NWDGAFQWSA-N -1 0 350.404 -0.179 20 0 FBADRM O=C([C@@H]1CCO[C@@H]2CCN(S(=O)(=O)c3ncc[n-]3)C[C@H]21)N1CCCO1 ZINC001190697830 840751786 /nfs/dbraw/zinc/75/17/86/840751786.db2.gz BEDHUQXDBGSBIK-FRRDWIJNSA-N -1 0 370.431 -0.011 20 0 FBADRM CC(C)NC(=O)[C@H]1Cn2nccc2CN(S(=O)(=O)c2ncc[n-]2)C1 ZINC001190697838 840751981 /nfs/dbraw/zinc/75/19/81/840751981.db2.gz BNCPZBCMBWQOQF-LLVKDONJSA-N -1 0 352.420 -0.049 20 0 FBADRM CC(C)NC(=O)[C@@H]1Cn2nccc2CN(S(=O)(=O)c2ncc[n-]2)C1 ZINC001190697839 840751861 /nfs/dbraw/zinc/75/18/61/840751861.db2.gz BNCPZBCMBWQOQF-NSHDSACASA-N -1 0 352.420 -0.049 20 0 FBADRM CN(C)C(=O)COCc1noc2c1CN(S(=O)(=O)c1ncc[n-]1)CC2 ZINC001190698011 840751727 /nfs/dbraw/zinc/75/17/27/840751727.db2.gz ACHFFLFIFXCKNY-UHFFFAOYSA-N -1 0 369.403 -0.251 20 0 FBADRM O=C([C@@H]1COC[C@H]2CN(S(=O)(=O)c3ncc[n-]3)C[C@H]21)N1CCCC1 ZINC001190698042 840751653 /nfs/dbraw/zinc/75/16/53/840751653.db2.gz DPOLXXHNDJGLFM-JHJVBQTASA-N -1 0 354.432 -0.085 20 0 FBADRM CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2S(=O)(=O)c2ncc[n-]2)O1 ZINC001190698177 840751464 /nfs/dbraw/zinc/75/14/64/840751464.db2.gz FQFDHNRJRFXMHP-JHJVBQTASA-N -1 0 372.447 -0.175 20 0 FBADRM CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2S(=O)(=O)c1ncc[n-]1 ZINC001190698406 840751641 /nfs/dbraw/zinc/75/16/41/840751641.db2.gz IXAMSYNZHIKPJM-DMDPSCGWSA-N -1 0 358.420 -0.565 20 0 FBADRM O=C([C@H]1CN(S(=O)(=O)c2ncc[n-]2)C[C@H]2OCC[C@H]21)N1CCCCO1 ZINC001190698431 840751569 /nfs/dbraw/zinc/75/15/69/840751569.db2.gz JKEFHVLJMHTXLU-RWMBFGLXSA-N -1 0 370.431 -0.011 20 0 FBADRM O=C([C@H]1C[C@H]2OCC[C@H]2N(S(=O)(=O)c2ncc[n-]2)C1)N1CCCO1 ZINC001190698457 840751515 /nfs/dbraw/zinc/75/15/15/840751515.db2.gz JNEYXBPLKUHIAH-QJPTWQEYSA-N -1 0 356.404 -0.258 20 0 FBADRM CN(C)C(=O)CN1CCO[C@@H]2CN(S(=O)(=O)c3ncc[n-]3)CC[C@@H]2C1 ZINC001190698489 840751288 /nfs/dbraw/zinc/75/12/88/840751288.db2.gz KBNUOOAWSLQFFS-CHWSQXEVSA-N -1 0 371.463 -0.791 20 0 FBADRM O=S(=O)(c1ncc[n-]1)N1CCc2onc(CN3CCOCC3)c2C1 ZINC001190698493 840752035 /nfs/dbraw/zinc/75/20/35/840752035.db2.gz KDFLKMPIJIWZMS-UHFFFAOYSA-N -1 0 353.404 -0.023 20 0 FBADRM O=C(NCC1CC1)[C@H]1Cn2nccc2CN(S(=O)(=O)c2ncc[n-]2)C1 ZINC001190698515 840752297 /nfs/dbraw/zinc/75/22/97/840752297.db2.gz KKTQNWXKKQIZMA-GFCCVEGCSA-N -1 0 364.431 -0.047 20 0 FBADRM O=C(NCC1CC1)[C@@H]1Cn2nccc2CN(S(=O)(=O)c2ncc[n-]2)C1 ZINC001190698516 840751368 /nfs/dbraw/zinc/75/13/68/840751368.db2.gz KKTQNWXKKQIZMA-LBPRGKRZSA-N -1 0 364.431 -0.047 20 0 FBADRM O=C(NC[C@]12COC[C@H]1CN(S(=O)(=O)c1ncc[n-]1)C2)N1CCCC1 ZINC001190698526 840752156 /nfs/dbraw/zinc/75/21/56/840752156.db2.gz KQRCCPGJNNDJLW-DOMZBBRYSA-N -1 0 369.447 -0.148 20 0 FBADRM O=C([C@H]1COC[C@H]2CN(S(=O)(=O)c3ncc[n-]3)C[C@H]21)N1CCCCO1 ZINC001190698552 840751937 /nfs/dbraw/zinc/75/19/37/840751937.db2.gz LQNCOOBVIVDLBQ-UPJWGTAASA-N -1 0 370.431 -0.153 20 0 FBADRM O=C([C@@H]1COC[C@H]2CN(S(=O)(=O)c3ncc[n-]3)C[C@H]21)N1CCCCO1 ZINC001190698568 840751674 /nfs/dbraw/zinc/75/16/74/840751674.db2.gz LQNCOOBVIVDLBQ-JHJVBQTASA-N -1 0 370.431 -0.153 20 0 FBADRM CC(=O)N(C)Cc1nnc2n1CCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001190698717 840751250 /nfs/dbraw/zinc/75/12/50/840751250.db2.gz MRELYCSVFWKPBS-UHFFFAOYSA-N -1 0 353.408 -0.426 20 0 FBADRM O=S(=O)(c1ncc[n-]1)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001190698802 840751386 /nfs/dbraw/zinc/75/13/86/840751386.db2.gz NHIJNUKMWLPKRN-UHFFFAOYSA-N -1 0 353.408 -0.962 20 0 FBADRM COCCNC(=O)[C@H]1Cn2nccc2CN(S(=O)(=O)c2ncc[n-]2)C1 ZINC001190698888 840752339 /nfs/dbraw/zinc/75/23/39/840752339.db2.gz OLEVARWTKHVGFV-LLVKDONJSA-N -1 0 368.419 -0.811 20 0 FBADRM COCCNC(=O)[C@@H]1Cn2nccc2CN(S(=O)(=O)c2ncc[n-]2)C1 ZINC001190698891 840752320 /nfs/dbraw/zinc/75/23/20/840752320.db2.gz OLEVARWTKHVGFV-NSHDSACASA-N -1 0 368.419 -0.811 20 0 FBADRM Cc1ccc(N2CCO[C@H]3CN(S(=O)(=O)c4ncc[n-]4)C[C@H]32)nn1 ZINC001190698898 840751712 /nfs/dbraw/zinc/75/17/12/840751712.db2.gz OOPWPVAWZKVOEN-NEPJUHHUSA-N -1 0 350.404 -0.214 20 0 FBADRM CNC(=O)CN1C(=O)CC[C@]12CCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001190699010 840751338 /nfs/dbraw/zinc/75/13/38/840751338.db2.gz PGMGFWSKBBHEPT-AWEZNQCLSA-N -1 0 355.420 -0.699 20 0 FBADRM CNC(=O)CN1C(=O)CC[C@@]12CCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001190699024 840751891 /nfs/dbraw/zinc/75/18/91/840751891.db2.gz PGMGFWSKBBHEPT-CQSZACIVSA-N -1 0 355.420 -0.699 20 0 FBADRM O=S(=O)(c1ncc[n-]1)N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001190699066 840752240 /nfs/dbraw/zinc/75/22/40/840752240.db2.gz PTNFKUILVFIPNV-NEPJUHHUSA-N -1 0 350.404 -0.274 20 0 FBADRM O=S(=O)(c1ncc[n-]1)N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001190699068 840751827 /nfs/dbraw/zinc/75/18/27/840751827.db2.gz PTNFKUILVFIPNV-NWDGAFQWSA-N -1 0 350.404 -0.274 20 0 FBADRM O=S(=O)(c1ncc[n-]1)N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001190699071 840752067 /nfs/dbraw/zinc/75/20/67/840752067.db2.gz PTNFKUILVFIPNV-RYUDHWBXSA-N -1 0 350.404 -0.274 20 0 FBADRM O=S(=O)(c1ncc[n-]1)N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001190699073 840752005 /nfs/dbraw/zinc/75/20/05/840752005.db2.gz PTNFKUILVFIPNV-VXGBXAGGSA-N -1 0 350.404 -0.274 20 0 FBADRM CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(S(=O)(=O)c3ncc[n-]3)C[C@@H]21 ZINC001190699221 840752413 /nfs/dbraw/zinc/75/24/13/840752413.db2.gz QTUQUDOLLAGEIX-SDDRHHMPSA-N -1 0 357.436 -0.294 20 0 FBADRM O=S(=O)(c1ncc[n-]1)N1CCn2cc(CN3CCOCC3)nc2C1 ZINC001190699245 840751691 /nfs/dbraw/zinc/75/16/91/840751691.db2.gz RFAPNIPOSSJYIN-UHFFFAOYSA-N -1 0 352.420 -0.357 20 0 FBADRM O=C([C@H]1C[C@@H]2[C@@H](CCN2S(=O)(=O)c2ncc[n-]2)O1)N1CCOCC1 ZINC001190699262 840751493 /nfs/dbraw/zinc/75/14/93/840751493.db2.gz RQBZOVAMJNFXKH-IJLUTSLNSA-N -1 0 356.404 -0.811 20 0 FBADRM CNC(=O)CO[C@H]1CO[C@@]2(C1)CCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001190699305 840751773 /nfs/dbraw/zinc/75/17/73/840751773.db2.gz SIWGRDWJHQKHOX-BXUZGUMPSA-N -1 0 358.420 -0.516 20 0 FBADRM CNC(=O)CO[C@@H]1CO[C@]2(C1)CCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001190699306 840751587 /nfs/dbraw/zinc/75/15/87/840751587.db2.gz SIWGRDWJHQKHOX-FZMZJTMJSA-N -1 0 358.420 -0.516 20 0 FBADRM CNC(=O)CO[C@H]1CO[C@]2(C1)CCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001190699307 840753086 /nfs/dbraw/zinc/75/30/86/840753086.db2.gz SIWGRDWJHQKHOX-RISCZKNCSA-N -1 0 358.420 -0.516 20 0 FBADRM CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001190699309 840753592 /nfs/dbraw/zinc/75/35/92/840753592.db2.gz SIWGRDWJHQKHOX-SMDDNHRTSA-N -1 0 358.420 -0.516 20 0 FBADRM CC(C)(C)OC(=O)N1CC2(C1)C(=O)NCCN2S(=O)(=O)c1ncc[n-]1 ZINC001190699351 840753236 /nfs/dbraw/zinc/75/32/36/840753236.db2.gz WHZZKDHJJGPMIY-UHFFFAOYSA-N -1 0 371.419 -0.480 20 0 FBADRM O=C([C@H]1CN(S(=O)(=O)c2ncc[n-]2)C[C@H]2OCC[C@H]21)N1CCOCC1 ZINC001190699530 840753201 /nfs/dbraw/zinc/75/32/01/840753201.db2.gz VOMCQUGXKSRMRD-RWMBFGLXSA-N -1 0 370.431 -0.706 20 0 FBADRM CNC(=O)CO[C@H]1COC2(C1)CCN(S(=O)(=O)c1ncc[n-]1)CC2 ZINC001190699532 840753006 /nfs/dbraw/zinc/75/30/06/840753006.db2.gz VPVWZSNKTNPCEN-LLVKDONJSA-N -1 0 358.420 -0.516 20 0 FBADRM CNC(=O)CO[C@@H]1COC2(C1)CCN(S(=O)(=O)c1ncc[n-]1)CC2 ZINC001190699534 840753718 /nfs/dbraw/zinc/75/37/18/840753718.db2.gz VPVWZSNKTNPCEN-NSHDSACASA-N -1 0 358.420 -0.516 20 0 FBADRM COCCN1CCN(C)C2(CCN(S(=O)(=O)c3ncc[n-]3)CC2)C1=O ZINC001190699620 840753676 /nfs/dbraw/zinc/75/36/76/840753676.db2.gz ZJDOUYMUYWLSLO-UHFFFAOYSA-N -1 0 371.463 -0.647 20 0 FBADRM O=C(N[C@@H]1CN(S(=O)(=O)c2ncc[n-]2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001190699651 840753656 /nfs/dbraw/zinc/75/36/56/840753656.db2.gz WXOLTEZHZLUXHV-YUSALJHKSA-N -1 0 364.387 -0.982 20 0 FBADRM O=S(=O)(c1ncc[n-]1)N1CCc2ncnc(N3CCOCC3)c2CC1 ZINC001190699689 840753471 /nfs/dbraw/zinc/75/34/71/840753471.db2.gz XGHKFVSPTMIWLS-UHFFFAOYSA-N -1 0 364.431 -0.174 20 0 FBADRM COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1S(=O)(=O)c1ncc[n-]1 ZINC001190699701 840753607 /nfs/dbraw/zinc/75/36/07/840753607.db2.gz XHRDTYXJLKCFGR-DOMZBBRYSA-N -1 0 372.447 -0.173 20 0 FBADRM COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1S(=O)(=O)c1ncc[n-]1 ZINC001190699702 840753250 /nfs/dbraw/zinc/75/32/50/840753250.db2.gz XHRDTYXJLKCFGR-IUODEOHRSA-N -1 0 372.447 -0.173 20 0 FBADRM COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1S(=O)(=O)c1ncc[n-]1 ZINC001190699704 840752940 /nfs/dbraw/zinc/75/29/40/840752940.db2.gz XHRDTYXJLKCFGR-SWLSCSKDSA-N -1 0 372.447 -0.173 20 0 FBADRM COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1S(=O)(=O)c1ncc[n-]1 ZINC001190699706 840753215 /nfs/dbraw/zinc/75/32/15/840753215.db2.gz XHRDTYXJLKCFGR-WFASDCNBSA-N -1 0 372.447 -0.173 20 0 FBADRM CN(C)C(=O)COC[C@]12COC[C@H]1CN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001190699711 840753184 /nfs/dbraw/zinc/75/31/84/840753184.db2.gz XJMJJLOUDPKVDL-RISCZKNCSA-N -1 0 358.420 -0.848 20 0 FBADRM CNC(=O)CN1CCOC[C@@]2(CCCN(S(=O)(=O)c3ncc[n-]3)C2)C1 ZINC001190699771 840752885 /nfs/dbraw/zinc/75/28/85/840752885.db2.gz YEEIDAZWRYVODD-HNNXBMFYSA-N -1 0 371.463 -0.741 20 0 FBADRM CNC(=O)CN1CCOC[C@]2(CCCN(S(=O)(=O)c3ncc[n-]3)C2)C1 ZINC001190699779 840752924 /nfs/dbraw/zinc/75/29/24/840752924.db2.gz YEEIDAZWRYVODD-OAHLLOKOSA-N -1 0 371.463 -0.741 20 0 FBADRM O=C(N[C@@H]1CN(S(=O)(=O)c2ncc[n-]2)[C@@H]2COC[C@H]12)c1cscn1 ZINC001190699826 840752909 /nfs/dbraw/zinc/75/29/09/840752909.db2.gz ZJGLNWBTIFFGGP-FXPVBKGRSA-N -1 0 369.428 -0.316 20 0 FBADRM Cn1cc(N2CC[C@]3(CCN(S(=O)(=O)c4ncc[n-]4)C3)C2=O)cn1 ZINC001190699834 840753040 /nfs/dbraw/zinc/75/30/40/840753040.db2.gz ZTJOMMMCYXFKSQ-AWEZNQCLSA-N -1 0 350.404 -0.039 20 0 FBADRM Cn1cc(N2CC[C@@]3(CCN(S(=O)(=O)c4ncc[n-]4)C3)C2=O)cn1 ZINC001190699835 840753306 /nfs/dbraw/zinc/75/33/06/840753306.db2.gz ZTJOMMMCYXFKSQ-CQSZACIVSA-N -1 0 350.404 -0.039 20 0 FBADRM Cn1cc([C@H]2CC(=O)NC23CCN(S(=O)(=O)c2ncc[n-]2)CC3)cn1 ZINC001190703572 840752861 /nfs/dbraw/zinc/75/28/61/840752861.db2.gz BCRGMNVQYWNLCH-GFCCVEGCSA-N -1 0 364.431 -0.030 20 0 FBADRM Cn1cc([C@@H]2CC(=O)NC23CCN(S(=O)(=O)c2ncc[n-]2)CC3)cn1 ZINC001190703573 840753019 /nfs/dbraw/zinc/75/30/19/840753019.db2.gz BCRGMNVQYWNLCH-LBPRGKRZSA-N -1 0 364.431 -0.030 20 0 FBADRM Cn1nc(C(=O)N2CCOCC2)c2c1CN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001190703579 840753047 /nfs/dbraw/zinc/75/30/47/840753047.db2.gz BPVVDARVURVWHO-UHFFFAOYSA-N -1 0 366.403 -0.680 20 0 FBADRM COCCN1CCO[C@H]2CN(S(=O)(=O)c3ncc[n-]3)CC[C@H]2C1=O ZINC001190704742 840753060 /nfs/dbraw/zinc/75/30/60/840753060.db2.gz KEWGOSCUEKXOOI-NEPJUHHUSA-N -1 0 358.420 -0.706 20 0 FBADRM CN(C)S(=O)(=O)N1CC[C@@H]2CN(S(=O)(=O)c3ncc[n-]3)C[C@H]2C1 ZINC001190704765 840752873 /nfs/dbraw/zinc/75/28/73/840752873.db2.gz KPWJDNCXFIXOCA-GHMZBOCLSA-N -1 0 363.465 -0.842 20 0 FBADRM O=C(N[C@H]1CN(S(=O)(=O)c2ncc[n-]2)[C@H]2CCCO[C@@H]12)c1ccno1 ZINC001190705204 840752797 /nfs/dbraw/zinc/75/27/97/840752797.db2.gz LPOIGZLCRXAYBX-NHCYSSNCSA-N -1 0 367.387 -0.252 20 0 FBADRM CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1 ZINC001190705263 840753071 /nfs/dbraw/zinc/75/30/71/840753071.db2.gz MCVJXJBODOLKDT-BXUZGUMPSA-N -1 0 357.436 -0.007 20 0 FBADRM C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(S(=O)(=O)c3ncc[n-]3)CC[C@@H]21 ZINC001190705266 840753522 /nfs/dbraw/zinc/75/35/22/840753522.db2.gz MDTQPBRKCANKQX-AGIUHOORSA-N -1 0 351.436 -0.215 20 0 FBADRM O=C([C@H]1CC[C@@H]2[C@@H](CCN2S(=O)(=O)c2ncc[n-]2)O1)N1CCCO1 ZINC001190705732 840753365 /nfs/dbraw/zinc/75/33/65/840753365.db2.gz ODCKAMFKZRVFGZ-IJLUTSLNSA-N -1 0 356.404 -0.116 20 0 FBADRM O=C([C@H]1COC[C@H]2CN(S(=O)(=O)c3ncc[n-]3)C[C@H]21)N1CCCO1 ZINC001190706536 840753637 /nfs/dbraw/zinc/75/36/37/840753637.db2.gz UYBPDOLANYHZSC-UTUOFQBUSA-N -1 0 356.404 -0.543 20 0 FBADRM Cn1cc(N2C[C@@]3(CCN(S(=O)(=O)c4ncc[n-]4)C3)CC2=O)cn1 ZINC001190706550 840752955 /nfs/dbraw/zinc/75/29/55/840752955.db2.gz VMJNPVDJTLTUPX-AWEZNQCLSA-N -1 0 350.404 -0.039 20 0 FBADRM Cn1cc(N2C[C@]3(CCN(S(=O)(=O)c4ncc[n-]4)C3)CC2=O)cn1 ZINC001190706551 840752833 /nfs/dbraw/zinc/75/28/33/840752833.db2.gz VMJNPVDJTLTUPX-CQSZACIVSA-N -1 0 350.404 -0.039 20 0 FBADRM Cn1cccc1C(=O)N[C@@H]1CN(S(=O)(=O)c2ncc[n-]2)[C@@H]2COC[C@H]12 ZINC001190706572 840754825 /nfs/dbraw/zinc/75/48/25/840754825.db2.gz WBYKLBRONLAHEM-NQBHXWOUSA-N -1 0 365.415 -0.434 20 0 FBADRM CC(C)C(=O)NCc1nnc2n1CCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001190706966 840754504 /nfs/dbraw/zinc/75/45/04/840754504.db2.gz WFJLDUMLDNWROJ-UHFFFAOYSA-N -1 0 367.435 -0.132 20 0 FBADRM O=C1CCCN1Cc1nnc2n1CCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001190707076 840754637 /nfs/dbraw/zinc/75/46/37/840754637.db2.gz XEYSFSACULMKBO-UHFFFAOYSA-N -1 0 365.419 -0.282 20 0 FBADRM O=C(C[C@]12COC[C@H]1CN(S(=O)(=O)c1ncc[n-]1)C2)NCC1CC1 ZINC001190707104 840754594 /nfs/dbraw/zinc/75/45/94/840754594.db2.gz XHQQBLMDZAUUHD-DOMZBBRYSA-N -1 0 354.432 -0.037 20 0 FBADRM CN(C)C(=O)CO[C@H]1CO[C@@]2(C1)CCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001190707116 840754359 /nfs/dbraw/zinc/75/43/59/840754359.db2.gz XKRHYCUDMDWILQ-IUODEOHRSA-N -1 0 372.447 -0.173 20 0 FBADRM CC(C)C(=O)N1CCO[C@]2(C1)COCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001190707263 840754904 /nfs/dbraw/zinc/75/49/04/840754904.db2.gz FGRRSJABEBNYTJ-HNNXBMFYSA-N -1 0 372.447 -0.316 20 0 FBADRM CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001190707265 840754490 /nfs/dbraw/zinc/75/44/90/840754490.db2.gz FGRRSJABEBNYTJ-OAHLLOKOSA-N -1 0 372.447 -0.316 20 0 FBADRM O=C(NCc1cnc2n1CCN(S(=O)(=O)c1ncc[n-]1)C2)C1CC1 ZINC001190707300 840754100 /nfs/dbraw/zinc/75/41/00/840754100.db2.gz YTRLMLSSHZZSAQ-UHFFFAOYSA-N -1 0 350.404 -0.163 20 0 FBADRM COc1cc(OC)nc(CN2CCN(S(=O)(=O)c3ncc[n-]3)CC2)n1 ZINC001190707333 840754455 /nfs/dbraw/zinc/75/44/55/840754455.db2.gz GPJAHKQLUPQBOU-UHFFFAOYSA-N -1 0 368.419 -0.277 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ncc[n-]2)C[C@@H]1C(N)=O ZINC001190708779 840754247 /nfs/dbraw/zinc/75/42/47/840754247.db2.gz SEXBKJKTPPJCKR-SECBINFHSA-N -1 0 359.408 -0.495 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ncc[n-]2)C[C@H]1C(N)=O ZINC001190708787 840754554 /nfs/dbraw/zinc/75/45/54/840754554.db2.gz SEXBKJKTPPJCKR-VIFPVBQESA-N -1 0 359.408 -0.495 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ncc[nH]2)c2nonc21 ZINC001190729683 840758377 /nfs/dbraw/zinc/75/83/77/840758377.db2.gz LZYYOENPAPMYEE-UHFFFAOYSA-N -1 0 372.388 -0.003 20 0 FBADRM CN(C)C(=O)Cn1cc2c(n1)[C@@H](CNS(=O)(=O)c1ncc[n-]1)OCC2 ZINC001190739126 840760059 /nfs/dbraw/zinc/76/00/59/840760059.db2.gz DYHKCFBYMQOVDB-LLVKDONJSA-N -1 0 368.419 -0.713 20 0 FBADRM CN(C)C(=O)Cn1cc2c(n1)[C@H](CNS(=O)(=O)c1ncc[n-]1)OCC2 ZINC001190739127 840760177 /nfs/dbraw/zinc/76/01/77/840760177.db2.gz DYHKCFBYMQOVDB-NSHDSACASA-N -1 0 368.419 -0.713 20 0 FBADRM O=S(=O)(NC[C@@H]1Cn2nnc(-c3cccnc3)c2CO1)c1ncc[n-]1 ZINC001190739149 840759858 /nfs/dbraw/zinc/75/98/58/840759858.db2.gz GBPOFFBGXCLRJY-LLVKDONJSA-N -1 0 361.387 -0.060 20 0 FBADRM O=S(=O)(NC[C@H]1Cn2nnc(-c3cccnc3)c2CO1)c1ncc[n-]1 ZINC001190739151 840759507 /nfs/dbraw/zinc/75/95/07/840759507.db2.gz GBPOFFBGXCLRJY-NSHDSACASA-N -1 0 361.387 -0.060 20 0 FBADRM O=C(CNS(=O)(=O)c1ncc[n-]1)NCC(=O)OCc1ccccc1 ZINC001190744084 840760141 /nfs/dbraw/zinc/76/01/41/840760141.db2.gz BELQZKBBHJSKSX-UHFFFAOYSA-N -1 0 352.372 -0.452 20 0 FBADRM NC(=O)[C@H](CC(=O)OCc1ccccc1)NS(=O)(=O)c1ncc[n-]1 ZINC001190744497 840760272 /nfs/dbraw/zinc/76/02/72/840760272.db2.gz FAHVNWMKGZWHRW-NSHDSACASA-N -1 0 352.372 -0.325 20 0 FBADRM O=S(=O)(NC1CCN(S(=O)(=O)c2ccccn2)CC1)c1ncc[n-]1 ZINC001190749099 840759657 /nfs/dbraw/zinc/75/96/57/840759657.db2.gz RAKHBUXPDXOUPT-UHFFFAOYSA-N -1 0 371.444 -0.064 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CCNS(=O)(=O)c2ncc[n-]2)C(=O)C1 ZINC001190755095 840757370 /nfs/dbraw/zinc/75/73/70/840757370.db2.gz KKVTWCOJMSFNFX-UHFFFAOYSA-N -1 0 373.435 -0.233 20 0 FBADRM O=S(=O)(NCc1ccnc(N2CCS(=O)(=O)CC2)c1)c1ncc[n-]1 ZINC001190758701 840757258 /nfs/dbraw/zinc/75/72/58/840757258.db2.gz ZMLNPTZAYHKETG-UHFFFAOYSA-N -1 0 371.444 -0.482 20 0 FBADRM C[C@H](NS(=O)(=O)c1ncc[n-]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001190762477 840757079 /nfs/dbraw/zinc/75/70/79/840757079.db2.gz IQOKFARADUTHKK-JQWIXIFHSA-N -1 0 365.415 -0.711 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cncc(N2CCOCC2)n1 ZINC001190772511 840762788 /nfs/dbraw/zinc/76/27/88/840762788.db2.gz HJSKLCGZHDNCLW-JTQLQIEISA-N -1 0 352.347 -0.551 20 0 FBADRM CCOc1ccc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)nc1 ZINC001190778523 840763078 /nfs/dbraw/zinc/76/30/78/840763078.db2.gz WUIRXGKNJOAVKA-UHFFFAOYSA-N -1 0 370.347 -0.809 20 0 FBADRM COc1nc(C)ccc1C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001190800153 840764263 /nfs/dbraw/zinc/76/42/63/840764263.db2.gz SJPSCDAZYGFDAD-UHFFFAOYSA-N -1 0 370.347 -0.891 20 0 FBADRM COC(=O)[C@H](CC(C)C)NC(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001190825445 840765267 /nfs/dbraw/zinc/76/52/67/840765267.db2.gz GBDXQCVJVJVTOR-CIUDSAMLSA-N -1 0 351.381 -0.725 20 0 FBADRM O=S(=O)([N-]c1cc(N2CCN(CCO)CC2)ncn1)c1ccncc1 ZINC001190855608 840767293 /nfs/dbraw/zinc/76/72/93/840767293.db2.gz MMVQFXJMFKNHMM-UHFFFAOYSA-N -1 0 364.431 -0.213 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cccc(C3(C)OCCO3)n2)C(=O)N1S(=O)(=O)[O-] ZINC001190858223 840767765 /nfs/dbraw/zinc/76/77/65/840767765.db2.gz ILCBZAYFSDFTDD-KWQFWETISA-N -1 0 371.371 -0.567 20 0 FBADRM COC(=O)[C@H](CF)[N-]S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001190869628 840768836 /nfs/dbraw/zinc/76/88/36/840768836.db2.gz YBFRJVYLJOQVIL-JTQLQIEISA-N -1 0 369.415 -0.115 20 0 FBADRM COC(=O)[C@@H](CF)[N-]S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001190869630 840768950 /nfs/dbraw/zinc/76/89/50/840768950.db2.gz YBFRJVYLJOQVIL-SNVBAGLBSA-N -1 0 369.415 -0.115 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cnc(-c3ncccn3)nc2)C(=O)N1S(=O)(=O)[O-] ZINC001190901309 840767735 /nfs/dbraw/zinc/76/77/35/840767735.db2.gz MRKGUSLZNXCCEH-CBAPKCEASA-N -1 0 364.343 -0.935 20 0 FBADRM CCOC(=O)c1nc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cs1 ZINC001190959571 840775944 /nfs/dbraw/zinc/77/59/44/840775944.db2.gz GXIKZLDHPUAHME-FSPLSTOPSA-N -1 0 363.373 -0.548 20 0 FBADRM Cn1c(C(=O)Nc2ccc(CC(=O)[N-]S(C)(=O)=O)cc2)c[nH]c1=O ZINC001190999400 840780714 /nfs/dbraw/zinc/78/07/14/840780714.db2.gz XZOOYYZVMBRNKQ-UHFFFAOYSA-N -1 0 352.372 -0.004 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N=c2ncnc3[nH][nH]cc2-3)c([O-])cc1Cl ZINC001191006770 840782009 /nfs/dbraw/zinc/78/20/09/840782009.db2.gz BVHQTBKYEXQTGS-UHFFFAOYSA-N -1 0 368.762 -0.015 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N2CCn3cnnc3C2)c([O-])cc1Cl ZINC001191006794 840782355 /nfs/dbraw/zinc/78/23/55/840782355.db2.gz CFCDZBOPCSSTTQ-UHFFFAOYSA-N -1 0 357.779 -0.060 20 0 FBADRM NC(=O)c1n[nH]cc1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-] ZINC001191006796 840782090 /nfs/dbraw/zinc/78/20/90/840782090.db2.gz CGPWCLZMFBFUPV-UHFFFAOYSA-N -1 0 359.751 -0.233 20 0 FBADRM CS(=O)(=O)CCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-] ZINC001191008506 840783697 /nfs/dbraw/zinc/78/36/97/840783697.db2.gz YBTQEQDGWZQORR-UHFFFAOYSA-N -1 0 356.809 -0.533 20 0 FBADRM NC(=O)c1nccnc1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-] ZINC001191017109 840783578 /nfs/dbraw/zinc/78/35/78/840783578.db2.gz JEXUDTHLWRBFSJ-UHFFFAOYSA-N -1 0 371.762 -0.166 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)CC2)c([O-])cc1Cl ZINC001191017598 840783358 /nfs/dbraw/zinc/78/33/58/840783358.db2.gz KPBPZQGUTBZHLX-UHFFFAOYSA-N -1 0 368.820 -0.436 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)c([O-])cc1Cl ZINC001191017604 840783954 /nfs/dbraw/zinc/78/39/54/840783954.db2.gz KVZSOWZJKQVEMQ-CPCISQLKSA-N -1 0 364.807 -0.492 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)c([O-])cc1Cl ZINC001191017605 840783386 /nfs/dbraw/zinc/78/33/86/840783386.db2.gz KVZSOWZJKQVEMQ-HQJQHLMTSA-N -1 0 364.807 -0.492 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N2CC[C@H](CO)[C@H](O)C2)c([O-])cc1Cl ZINC001191017606 840783854 /nfs/dbraw/zinc/78/38/54/840783854.db2.gz KVZSOWZJKQVEMQ-RDDDGLTNSA-N -1 0 364.807 -0.492 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N2CC[C@@H](CO)[C@H](O)C2)c([O-])cc1Cl ZINC001191017607 840783463 /nfs/dbraw/zinc/78/34/63/840783463.db2.gz KVZSOWZJKQVEMQ-WRWORJQWSA-N -1 0 364.807 -0.492 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N2CC[C@@H](O)[C@@H](CO)C2)c([O-])cc1Cl ZINC001191018386 840784651 /nfs/dbraw/zinc/78/46/51/840784651.db2.gz WNQSQDCEEGBQJF-GMSGAONNSA-N -1 0 364.807 -0.492 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N2CC[C@@H](O)[C@H](CO)C2)c([O-])cc1Cl ZINC001191018387 840784694 /nfs/dbraw/zinc/78/46/94/840784694.db2.gz WNQSQDCEEGBQJF-OIBJUYFYSA-N -1 0 364.807 -0.492 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N2CC[C@H](O)[C@@H](CO)C2)c([O-])cc1Cl ZINC001191018388 840784708 /nfs/dbraw/zinc/78/47/08/840784708.db2.gz WNQSQDCEEGBQJF-XCBNKYQSSA-N -1 0 364.807 -0.492 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N2CC[C@H](O)[C@H](CO)C2)c([O-])cc1Cl ZINC001191018389 840784972 /nfs/dbraw/zinc/78/49/72/840784972.db2.gz WNQSQDCEEGBQJF-XVKPBYJWSA-N -1 0 364.807 -0.492 20 0 FBADRM C[C@H]1CN(C)C(=O)CN1C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-] ZINC001191024886 840785013 /nfs/dbraw/zinc/78/50/13/840785013.db2.gz CRPUPCSASNLKBZ-ZETCQYMHSA-N -1 0 361.807 -0.004 20 0 FBADRM CN1C[C@@H]2CN(C(=O)c3cc(S(N)(=O)=O)c(Cl)cc3[O-])C[C@@H]2C1=O ZINC001191024977 840785112 /nfs/dbraw/zinc/78/51/12/840785112.db2.gz KQCDJKQLSYKYSC-APPZFPTMSA-N -1 0 373.818 -0.147 20 0 FBADRM NC(=O)[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2[O-])CCO1 ZINC001191025475 840785099 /nfs/dbraw/zinc/78/50/99/840785099.db2.gz ODEGCQHRRBWVSE-SECBINFHSA-N -1 0 363.779 -0.981 20 0 FBADRM NC(=O)[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2[O-])CCO1 ZINC001191025476 840784598 /nfs/dbraw/zinc/78/45/98/840784598.db2.gz ODEGCQHRRBWVSE-VIFPVBQESA-N -1 0 363.779 -0.981 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)C3=O)c([O-])cc1Cl ZINC001191025553 840784863 /nfs/dbraw/zinc/78/48/63/840784863.db2.gz IKKWGUDPZLDHIT-OCAPTIKFSA-N -1 0 374.802 -0.020 20 0 FBADRM NC(=O)N1CCN(C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2[O-])CC1 ZINC001191025597 840785303 /nfs/dbraw/zinc/78/53/03/840785303.db2.gz PRCGCIKVJJMMFN-UHFFFAOYSA-N -1 0 362.795 -0.471 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N2CCn3nncc3C2)c([O-])cc1Cl ZINC001191026737 840784698 /nfs/dbraw/zinc/78/46/98/840784698.db2.gz VQDMKBJILNZOPQ-UHFFFAOYSA-N -1 0 357.779 -0.060 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)NCCCc2c[nH][nH]c2=O)c([O-])cc1Cl ZINC001191035038 840786380 /nfs/dbraw/zinc/78/63/80/840786380.db2.gz BZEUDQSPOBAAEA-SSDOTTSWSA-N -1 0 374.806 -0.065 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)NCCCc2c[nH][nH]c2=O)c([O-])cc1Cl ZINC001191035041 840786366 /nfs/dbraw/zinc/78/63/66/840786366.db2.gz BZEUDQSPOBAAEA-ZETCQYMHSA-N -1 0 374.806 -0.065 20 0 FBADRM CN1CCO[C@H](CNC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2[O-])C1 ZINC001191035088 840786009 /nfs/dbraw/zinc/78/60/09/840786009.db2.gz CYHKJQGEMFHOJS-MRVPVSSYSA-N -1 0 363.823 -0.247 20 0 FBADRM CN1CCO[C@@H](CNC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2[O-])C1 ZINC001191035089 840785844 /nfs/dbraw/zinc/78/58/44/840785844.db2.gz CYHKJQGEMFHOJS-QMMMGPOBSA-N -1 0 363.823 -0.247 20 0 FBADRM COC(=O)[C@@H](NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-])[C@@H](C)O ZINC001191035422 840786438 /nfs/dbraw/zinc/78/64/38/840786438.db2.gz HOIRWLRZHVVXIF-FWOIEVBISA-N -1 0 366.779 -0.655 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c([O-])cc1Cl ZINC001191035508 840786063 /nfs/dbraw/zinc/78/60/63/840786063.db2.gz JRWXNYHOYLXKDI-LURJTMIESA-N -1 0 368.820 -0.390 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c([O-])cc1Cl ZINC001191035509 840786357 /nfs/dbraw/zinc/78/63/57/840786357.db2.gz JRWXNYHOYLXKDI-ZCFIWIBFSA-N -1 0 368.820 -0.390 20 0 FBADRM Nc1nc(=O)c(F)cn1C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-] ZINC001191036047 840786144 /nfs/dbraw/zinc/78/61/44/840786144.db2.gz OIFVZROKDGDJTG-UHFFFAOYSA-N -1 0 362.726 -0.098 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC(=O)NC2=O)c([O-])cc1Cl ZINC001191036068 840786467 /nfs/dbraw/zinc/78/64/67/840786467.db2.gz ORCGRMJCYZYCKP-SSDOTTSWSA-N -1 0 361.763 -0.772 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N[C@H]2CCC(=O)NC2=O)c([O-])cc1Cl ZINC001191036273 840786309 /nfs/dbraw/zinc/78/63/09/840786309.db2.gz ORCGRMJCYZYCKP-ZETCQYMHSA-N -1 0 361.763 -0.772 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N[C@H]2C=CS(=O)(=O)C2)c([O-])cc1Cl ZINC001191036351 840786404 /nfs/dbraw/zinc/78/64/04/840786404.db2.gz QNBVNMQJZTTYGL-LURJTMIESA-N -1 0 366.804 -0.267 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)c([O-])cc1Cl ZINC001191036356 840786476 /nfs/dbraw/zinc/78/64/76/840786476.db2.gz QNBVNMQJZTTYGL-ZCFIWIBFSA-N -1 0 366.804 -0.267 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)NC2(CO)CCOCC2)c([O-])cc1Cl ZINC001191037026 840787583 /nfs/dbraw/zinc/78/75/83/840787583.db2.gz ZUTNYYFYPWJLGM-UHFFFAOYSA-N -1 0 364.807 -0.036 20 0 FBADRM CCC(CO)(CO)NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-] ZINC001191044906 840789631 /nfs/dbraw/zinc/78/96/31/840789631.db2.gz FDXOFJPLOCGVBE-UHFFFAOYSA-N -1 0 352.796 -0.444 20 0 FBADRM CN1CCOC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-] ZINC001191045246 840790352 /nfs/dbraw/zinc/79/03/52/840790352.db2.gz HJIJNHQCLHZSQR-MRVPVSSYSA-N -1 0 363.823 -0.247 20 0 FBADRM CN1CCOC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-] ZINC001191045248 840790223 /nfs/dbraw/zinc/79/02/23/840790223.db2.gz HJIJNHQCLHZSQR-QMMMGPOBSA-N -1 0 363.823 -0.247 20 0 FBADRM CN1C[C@@H](CNC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2[O-])CC1=O ZINC001191045801 840790371 /nfs/dbraw/zinc/79/03/71/840790371.db2.gz JMTVKMIDZRXWBW-SSDOTTSWSA-N -1 0 361.807 -0.099 20 0 FBADRM CN1C[C@H](CNC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2[O-])CC1=O ZINC001191045802 840790182 /nfs/dbraw/zinc/79/01/82/840790182.db2.gz JMTVKMIDZRXWBW-ZETCQYMHSA-N -1 0 361.807 -0.099 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N2C[C@H](O)C[C@@H]2CO)c([O-])cc1Cl ZINC001191045889 840790061 /nfs/dbraw/zinc/79/00/61/840790061.db2.gz KXLZPUVHJDIDJO-RNFRBKRXSA-N -1 0 350.780 -0.739 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N[C@H]2COCC[C@@H]2O)c([O-])cc1Cl ZINC001191046202 840789731 /nfs/dbraw/zinc/78/97/31/840789731.db2.gz OVFUAQCNKIZPKX-IUCAKERBSA-N -1 0 350.780 -0.427 20 0 FBADRM Cn1c(=O)cc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2[O-])[nH]c1=O ZINC001191046409 840789744 /nfs/dbraw/zinc/78/97/44/840789744.db2.gz SMRYEPVOFUHKSO-UHFFFAOYSA-N -1 0 374.762 -0.255 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N[C@@H](CO)Cc2c[nH]cn2)c([O-])cc1Cl ZINC001191046617 840790111 /nfs/dbraw/zinc/79/01/11/840790111.db2.gz UQTUYTVQXYRXDA-MRVPVSSYSA-N -1 0 374.806 -0.251 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)NC2(CCO)COC2)c([O-])cc1Cl ZINC001191046629 840790167 /nfs/dbraw/zinc/79/01/67/840790167.db2.gz VKIWSUQDFHBJKD-UHFFFAOYSA-N -1 0 350.780 -0.426 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)NC2CC(CO)(CO)C2)c([O-])cc1Cl ZINC001191046763 840789826 /nfs/dbraw/zinc/78/98/26/840789826.db2.gz YAXBXZOEUUHIIM-UHFFFAOYSA-N -1 0 364.807 -0.444 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)NC2CN(C3COC3)C2)c([O-])cc1Cl ZINC001191048372 840790143 /nfs/dbraw/zinc/79/01/43/840790143.db2.gz BDLABBHFFBYUGT-UHFFFAOYSA-N -1 0 361.807 -0.494 20 0 FBADRM CC1(C)C(=O)NC[C@@H]1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-] ZINC001191048405 840789870 /nfs/dbraw/zinc/78/98/70/840789870.db2.gz CBCOGPFNZBNBAO-JTQLQIEISA-N -1 0 361.807 -0.053 20 0 FBADRM CC1(C)C(=O)NC[C@H]1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-] ZINC001191048406 840789515 /nfs/dbraw/zinc/78/95/15/840789515.db2.gz CBCOGPFNZBNBAO-SNVBAGLBSA-N -1 0 361.807 -0.053 20 0 FBADRM Nc1cn(C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2[O-])c(N)nc1=O ZINC001191050025 840790249 /nfs/dbraw/zinc/79/02/49/840790249.db2.gz QZJJCDMRTWWELR-UHFFFAOYSA-N -1 0 359.751 -0.655 20 0 FBADRM COCCNC(=O)C1([N-]S(=O)(=O)c2scnc2C(=O)OC)CC1 ZINC001191113947 840790153 /nfs/dbraw/zinc/79/01/53/840790153.db2.gz HLWLDNROBNIGMX-UHFFFAOYSA-N -1 0 363.417 -0.497 20 0 FBADRM O=C([N-]CCCN1C[C@@H](O)[C@H](NC(=O)c2cnns2)C1)C(F)(F)F ZINC001191307524 840812597 /nfs/dbraw/zinc/81/25/97/840812597.db2.gz MTYNBMBDTPVUQX-HTQZYQBOSA-N -1 0 367.353 -0.618 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cc(Br)no2)C(=O)N1S(=O)(=O)[O-] ZINC001191337831 840812214 /nfs/dbraw/zinc/81/22/14/840812214.db2.gz OPUGJBLWKRRFNT-DZSWIPIPSA-N -1 0 354.138 -0.431 20 0 FBADRM Cc1[nH]c(=O)sc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001191419428 840827035 /nfs/dbraw/zinc/82/70/35/840827035.db2.gz MTNHGDBLDFHQIS-VIFPVBQESA-N -1 0 367.387 -0.188 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1cc(Cl)ncn1 ZINC001191456258 840834208 /nfs/dbraw/zinc/83/42/08/840834208.db2.gz CZFAGLAYMBUJTD-JTQLQIEISA-N -1 0 366.765 -0.215 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)Nc2c([S-])[nH]c(=O)[nH]c2=O)cc1 ZINC001191471864 840831446 /nfs/dbraw/zinc/83/14/46/840831446.db2.gz NHJNXXDNXJXJTH-SECBINFHSA-N -1 0 371.396 -0.323 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)Nc2c([S-])[nH]c(=O)[nH]c2=O)cc1 ZINC001191471865 840831504 /nfs/dbraw/zinc/83/15/04/840831504.db2.gz NHJNXXDNXJXJTH-VIFPVBQESA-N -1 0 371.396 -0.323 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2[nH]ncc2-c2ccccn2)C(=O)N1S(=O)(=O)[O-] ZINC001191495500 840834599 /nfs/dbraw/zinc/83/45/99/840834599.db2.gz CDOGCTNWMDHNMI-XVKPBYJWSA-N -1 0 351.344 -0.396 20 0 FBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)c2ncc[nH]c2=O)cc1 ZINC001191512177 840836590 /nfs/dbraw/zinc/83/65/90/840836590.db2.gz AARBQVRXOLDSLN-UHFFFAOYSA-N -1 0 350.356 -0.360 20 0 FBADRM O=C(CC(F)(F)F)N[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1O ZINC001191523506 840837971 /nfs/dbraw/zinc/83/79/71/840837971.db2.gz IAVVPHLVXQKEKW-NXEZZACHSA-N -1 0 359.308 -0.364 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]c2c(C(N)=O)c(C)nn2C)cc1 ZINC001191570365 840846136 /nfs/dbraw/zinc/84/61/36/840846136.db2.gz COUJPESMIUGFND-UHFFFAOYSA-N -1 0 351.388 -0.012 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)n(C)nc2C(N)=O)cc1 ZINC001191578559 840841948 /nfs/dbraw/zinc/84/19/48/840841948.db2.gz GGDSFRMYDJODRC-UHFFFAOYSA-N -1 0 351.388 -0.012 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc(Br)n2C)C(=O)N1S(=O)(=O)[O-] ZINC001191613763 840851401 /nfs/dbraw/zinc/85/14/01/840851401.db2.gz XDLXCGRVOYRCBF-XNCJUZBTSA-N -1 0 366.193 -0.081 20 0 FBADRM COc1ccc(OC)c(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1OC ZINC001191616058 840845676 /nfs/dbraw/zinc/84/56/76/840845676.db2.gz XCZQQGZAGGFQKF-CPCISQLKSA-N -1 0 374.371 -0.156 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)OC)cc1 ZINC001191632174 840847230 /nfs/dbraw/zinc/84/72/30/840847230.db2.gz YZYKDCKOIFRXKH-NSHDSACASA-N -1 0 358.372 -0.269 20 0 FBADRM Cc1nc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c(Br)o1 ZINC001191637060 840848657 /nfs/dbraw/zinc/84/86/57/840848657.db2.gz WUJALIHLDADHEH-UCORVYFPSA-N -1 0 368.165 -0.123 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[C@H](N3CCOCC3)C2(C)C)n[nH]1 ZINC001191671061 840850549 /nfs/dbraw/zinc/85/05/49/840850549.db2.gz OGWZHGARSFXYQR-NEPJUHHUSA-N -1 0 372.447 -0.026 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@@H](N3CCOCC3)C2(C)C)n[nH]1 ZINC001191671062 840850814 /nfs/dbraw/zinc/85/08/14/840850814.db2.gz OGWZHGARSFXYQR-NWDGAFQWSA-N -1 0 372.447 -0.026 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@H](N3CCOCC3)C2(C)C)n[nH]1 ZINC001191671063 840850993 /nfs/dbraw/zinc/85/09/93/840850993.db2.gz OGWZHGARSFXYQR-RYUDHWBXSA-N -1 0 372.447 -0.026 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[C@@H](N3CCOCC3)C2(C)C)n[nH]1 ZINC001191671064 840851226 /nfs/dbraw/zinc/85/12/26/840851226.db2.gz OGWZHGARSFXYQR-VXGBXAGGSA-N -1 0 372.447 -0.026 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cnc(Br)o2)C(=O)N1S(=O)(=O)[O-] ZINC001191729720 840855840 /nfs/dbraw/zinc/85/58/40/840855840.db2.gz HDFFLRMMSLMUOX-UCORVYFPSA-N -1 0 354.138 -0.431 20 0 FBADRM O=C(c1nc(Br)ccc1[O-])N1CC(N2CCNC(=O)C2)C1 ZINC001191741178 840860112 /nfs/dbraw/zinc/86/01/12/840860112.db2.gz ASZMHZRUUWRUEU-UHFFFAOYSA-N -1 0 355.192 -0.194 20 0 FBADRM CS(=O)(=O)NC1CN(C(=O)c2nc(Br)ccc2[O-])C1 ZINC001191742775 840860218 /nfs/dbraw/zinc/86/02/18/840860218.db2.gz RNQQPBZMMHTQGR-UHFFFAOYSA-N -1 0 350.194 -0.077 20 0 FBADRM CS(=O)(=O)N1CC(NC(=O)c2nc(Br)ccc2[O-])C1 ZINC001191748524 840861207 /nfs/dbraw/zinc/86/12/07/840861207.db2.gz JGGVLIJCVBGLKG-UHFFFAOYSA-N -1 0 350.194 -0.077 20 0 FBADRM COc1ccsc1C(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001191750931 840861781 /nfs/dbraw/zinc/86/17/81/840861781.db2.gz REKKKNZHSYJCGF-UHFFFAOYSA-N -1 0 361.361 -0.533 20 0 FBADRM C[S@@](=O)(=NS(=O)(=O)[N-][C@]1(C(N)=O)CCOC1)C1CCCCC1 ZINC001191849765 840871118 /nfs/dbraw/zinc/87/11/18/840871118.db2.gz WZIQDFIUYFBZRS-GTJPDFRWSA-N -1 0 353.466 -0.104 20 0 FBADRM C[S@](=O)(=NS(=O)(=O)[N-][C@@]1(C(N)=O)CCOC1)C1CCCCC1 ZINC001191849766 840870510 /nfs/dbraw/zinc/87/05/10/840870510.db2.gz WZIQDFIUYFBZRS-LAJNKCICSA-N -1 0 353.466 -0.104 20 0 FBADRM C[S@@](=O)(=NS(=O)(=O)[N-][C@@]1(C(N)=O)CCOC1)C1CCCCC1 ZINC001191849767 840870660 /nfs/dbraw/zinc/87/06/60/840870660.db2.gz WZIQDFIUYFBZRS-QKVFXAPYSA-N -1 0 353.466 -0.104 20 0 FBADRM C[S@](=O)(=NS(=O)(=O)[N-][C@]1(C(N)=O)CCOC1)C1CCCCC1 ZINC001191849768 840870489 /nfs/dbraw/zinc/87/04/89/840870489.db2.gz WZIQDFIUYFBZRS-XUSGNXJCSA-N -1 0 353.466 -0.104 20 0 FBADRM COC(=O)Cc1ccccc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001191857751 840868192 /nfs/dbraw/zinc/86/81/92/840868192.db2.gz STXJLEAFNBHAPB-UFBFGSQYSA-N -1 0 356.356 -0.466 20 0 FBADRM Cn1ncc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1Cl ZINC001191951246 840879446 /nfs/dbraw/zinc/87/94/46/840879446.db2.gz XDAUAROTGJWLNO-JTQLQIEISA-N -1 0 368.781 -0.271 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccnc(-n3ccnc3)c2)C(=O)N1S(=O)(=O)[O-] ZINC001191968810 840885474 /nfs/dbraw/zinc/88/54/74/840885474.db2.gz BSSYHOQSDXVJMW-KWQFWETISA-N -1 0 351.344 -0.601 20 0 FBADRM O=C([O-])CCc1ccc(S(=O)(=O)N2CC(N3CCNC(=O)C3)C2)cc1 ZINC001192123893 840898589 /nfs/dbraw/zinc/89/85/89/840898589.db2.gz LAHBNLPXFXPDEW-UHFFFAOYSA-N -1 0 367.427 -0.492 20 0 FBADRM O=C([O-])CCc1ccc(S(=O)(=O)N2CCN3C(=O)COC[C@H]3C2)cc1 ZINC001192130739 840898613 /nfs/dbraw/zinc/89/86/13/840898613.db2.gz NLHRYGPOUACTFC-CYBMUJFWSA-N -1 0 368.411 -0.065 20 0 FBADRM O=C([O-])CCc1ccc(S(=O)(=O)N2CCN3C(=O)COC[C@@H]3C2)cc1 ZINC001192130740 840898775 /nfs/dbraw/zinc/89/87/75/840898775.db2.gz NLHRYGPOUACTFC-ZDUSSCGKSA-N -1 0 368.411 -0.065 20 0 FBADRM O=C([O-])CCc1ccc(S(=O)(=O)NCCN2C(=O)C=CC2=O)cc1 ZINC001192149325 840899761 /nfs/dbraw/zinc/89/97/61/840899761.db2.gz FZVIXUOZIXUSCJ-UHFFFAOYSA-N -1 0 352.368 -0.093 20 0 FBADRM O=C([O-])CCc1ccc(S(=O)(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)cc1 ZINC001192149402 840899206 /nfs/dbraw/zinc/89/92/06/840899206.db2.gz HEKOKVYDUDDOSA-LTZCYQRMSA-N -1 0 359.400 -0.915 20 0 FBADRM Cn1c(=O)cc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)n(C)c1=O ZINC001192149439 840899612 /nfs/dbraw/zinc/89/96/12/840899612.db2.gz JQGQXQIWEIBXLN-UHFFFAOYSA-N -1 0 367.383 -0.098 20 0 FBADRM CCOC(=O)CNC(=O)CNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192149837 840899628 /nfs/dbraw/zinc/89/96/28/840899628.db2.gz YCCXWCIFKRSMOD-UHFFFAOYSA-N -1 0 372.399 -0.339 20 0 FBADRM NC(=O)c1nc(CNS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)no1 ZINC001192155697 840899978 /nfs/dbraw/zinc/89/99/78/840899978.db2.gz HHGOKTGYSKHUPZ-UHFFFAOYSA-N -1 0 354.344 -0.336 20 0 FBADRM CS(=O)(=O)N1CC(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)C1 ZINC001192155905 840899689 /nfs/dbraw/zinc/89/96/89/840899689.db2.gz UKOPCKFLWYVYOS-UHFFFAOYSA-N -1 0 362.429 -0.374 20 0 FBADRM COC(=O)CNC(=O)CNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192158066 840899909 /nfs/dbraw/zinc/89/99/09/840899909.db2.gz CPGIYFLGWROPSM-UHFFFAOYSA-N -1 0 358.372 -0.729 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)C(N)=O ZINC001192167310 840899878 /nfs/dbraw/zinc/89/98/78/840899878.db2.gz KWVPETNSMXRBJN-LBPRGKRZSA-N -1 0 372.399 -0.211 20 0 FBADRM COC(=O)[C@@H](CC(N)=O)NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192168900 840899848 /nfs/dbraw/zinc/89/98/48/840899848.db2.gz YXTSFRUHVBSJBB-LLVKDONJSA-N -1 0 358.372 -0.601 20 0 FBADRM COC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192171956 840900718 /nfs/dbraw/zinc/90/07/18/840900718.db2.gz LVJYJEQOWCBBAC-JTQLQIEISA-N -1 0 372.399 -0.340 20 0 FBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)C(N)=O ZINC001192175250 840904144 /nfs/dbraw/zinc/90/41/44/840904144.db2.gz RJDKEZSOHNFRJX-UWVGGRQHSA-N -1 0 371.415 -0.639 20 0 FBADRM CCC(C)(C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001192221147 840906844 /nfs/dbraw/zinc/90/68/44/840906844.db2.gz ASVSNNNENKFRHH-GHMZBOCLSA-N -1 0 353.423 -0.497 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)N[C@@H](C)C(C)C)C[C@H]2O)c1[O-] ZINC001192221248 840907176 /nfs/dbraw/zinc/90/71/76/840907176.db2.gz CYUOHSYGUDOILR-MVWJERBFSA-N -1 0 353.423 -0.641 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)N[C@H](C)C(C)C)C[C@H]2O)c1[O-] ZINC001192221254 840907293 /nfs/dbraw/zinc/90/72/93/840907293.db2.gz CYUOHSYGUDOILR-YUSALJHKSA-N -1 0 353.423 -0.641 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)NCC(C)(C)C)C[C@H]2O)c1[O-] ZINC001192222356 840906927 /nfs/dbraw/zinc/90/69/27/840906927.db2.gz MCDJUXZUOXKPJS-GHMZBOCLSA-N -1 0 353.423 -0.639 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)NCC3CCC3)C[C@H]2O)c1[O-] ZINC001192223544 840907404 /nfs/dbraw/zinc/90/74/04/840907404.db2.gz UUYAPBVHDFXWAQ-VXGBXAGGSA-N -1 0 351.407 -0.885 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)N(C)CC3CC3)C[C@H]2O)c1[O-] ZINC001192223741 840907781 /nfs/dbraw/zinc/90/77/81/840907781.db2.gz XFWDNFWWSSJTAM-VXGBXAGGSA-N -1 0 351.407 -0.933 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C[C@@H](O)CC(F)(F)F)C[C@H]2O)c1[O-] ZINC001192223915 840906858 /nfs/dbraw/zinc/90/68/58/840906858.db2.gz XYCRCIXMEPFFFX-DJLDLDEBSA-N -1 0 352.313 -0.488 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C[C@H](O)CC(F)(F)F)C[C@H]2O)c1[O-] ZINC001192223917 840907447 /nfs/dbraw/zinc/90/74/47/840907447.db2.gz XYCRCIXMEPFFFX-IWSPIJDZSA-N -1 0 352.313 -0.488 20 0 FBADRM NC(=O)C1(NS(=O)(=O)c2nc[nH]c2Br)CCOCC1 ZINC001192254812 840904663 /nfs/dbraw/zinc/90/46/63/840904663.db2.gz LBNGWCCOPFHPBR-UHFFFAOYSA-N -1 0 353.198 -0.515 20 0 FBADRM CCN(C(=O)CN1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1)C1CC1 ZINC001192256134 840906085 /nfs/dbraw/zinc/90/60/85/840906085.db2.gz AXRUWANRKPUZMS-VXGBXAGGSA-N -1 0 351.407 -0.790 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CCOC[C@H]3CCCO3)C[C@H]2O)c1[O-] ZINC001192256163 840905806 /nfs/dbraw/zinc/90/58/06/840905806.db2.gz BPFAWPPJTLBLIO-JHJVBQTASA-N -1 0 354.407 -0.606 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CCOC[C@@H]3CCCO3)C[C@H]2O)c1[O-] ZINC001192256165 840906152 /nfs/dbraw/zinc/90/61/52/840906152.db2.gz BPFAWPPJTLBLIO-YNEHKIRRSA-N -1 0 354.407 -0.606 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CCOCC(F)(F)F)C[C@H]2O)c1[O-] ZINC001192256210 840905610 /nfs/dbraw/zinc/90/56/10/840905610.db2.gz CEYAOMIDPSMUCU-RKDXNWHRSA-N -1 0 352.313 -0.222 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@H](C)C(=O)NCC(C)C)C[C@H]2O)c1[O-] ZINC001192256972 840906194 /nfs/dbraw/zinc/90/61/94/840906194.db2.gz HDOQCAKXGNBRNR-IJLUTSLNSA-N -1 0 353.423 -0.641 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NCC(C)C)C[C@H]2O)c1[O-] ZINC001192256974 840905677 /nfs/dbraw/zinc/90/56/77/840905677.db2.gz HDOQCAKXGNBRNR-QJPTWQEYSA-N -1 0 353.423 -0.641 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@H](C)C(=O)NC(C)(C)C)C[C@H]2O)c1[O-] ZINC001192257158 840906198 /nfs/dbraw/zinc/90/61/98/840906198.db2.gz KCTCWABVFSGTKR-GMTAPVOTSA-N -1 0 353.423 -0.498 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NC(C)(C)C)C[C@H]2O)c1[O-] ZINC001192257160 840905941 /nfs/dbraw/zinc/90/59/41/840905941.db2.gz KCTCWABVFSGTKR-HBNTYKKESA-N -1 0 353.423 -0.498 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)N[C@H](C)C3CC3)C[C@H]2O)c1[O-] ZINC001192257458 840905882 /nfs/dbraw/zinc/90/58/82/840905882.db2.gz MLGQZTGEVYXRHU-GGZOMVNGSA-N -1 0 351.407 -0.887 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)N[C@@H](C)C3CC3)C[C@H]2O)c1[O-] ZINC001192257459 840905973 /nfs/dbraw/zinc/90/59/73/840905973.db2.gz MLGQZTGEVYXRHU-XXILOJSOSA-N -1 0 351.407 -0.887 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@H](C)C(=O)N(C)C(C)C)C[C@H]2O)c1[O-] ZINC001192257803 840906308 /nfs/dbraw/zinc/90/63/08/840906308.db2.gz PGHZUFCFEXHPBF-IJLUTSLNSA-N -1 0 353.423 -0.546 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@@H](C)C(=O)N(C)C(C)C)C[C@H]2O)c1[O-] ZINC001192257806 840906246 /nfs/dbraw/zinc/90/62/46/840906246.db2.gz PGHZUFCFEXHPBF-QJPTWQEYSA-N -1 0 353.423 -0.546 20 0 FBADRM CCC[C@H](C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001192257967 840907281 /nfs/dbraw/zinc/90/72/81/840907281.db2.gz QLFQIEDRNRLHOV-MVWJERBFSA-N -1 0 353.423 -0.497 20 0 FBADRM CCC[C@@H](C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001192257968 840907059 /nfs/dbraw/zinc/90/70/59/840907059.db2.gz QLFQIEDRNRLHOV-YUSALJHKSA-N -1 0 353.423 -0.497 20 0 FBADRM CCC(CC)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001192258357 840906380 /nfs/dbraw/zinc/90/63/80/840906380.db2.gz UOSMRSJJGWWIMX-VXGBXAGGSA-N -1 0 353.423 -0.497 20 0 FBADRM CCS(=O)(=O)CCCN1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001192258609 840908612 /nfs/dbraw/zinc/90/86/12/840908612.db2.gz VZSFCKUOSQKWFL-GHMZBOCLSA-N -1 0 360.436 -0.977 20 0 FBADRM CCCCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001192258783 840908656 /nfs/dbraw/zinc/90/86/56/840908656.db2.gz WYTANCYRWGZBFP-IJLUTSLNSA-N -1 0 353.423 -0.497 20 0 FBADRM CCCCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001192258784 840909038 /nfs/dbraw/zinc/90/90/38/840909038.db2.gz WYTANCYRWGZBFP-QJPTWQEYSA-N -1 0 353.423 -0.497 20 0 FBADRM CCN(CC)C(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001192259015 840909103 /nfs/dbraw/zinc/90/91/03/840909103.db2.gz ZAVAIIKEZDNJRD-IJLUTSLNSA-N -1 0 353.423 -0.544 20 0 FBADRM CCN(CC)C(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001192259020 840908898 /nfs/dbraw/zinc/90/88/98/840908898.db2.gz ZAVAIIKEZDNJRD-QJPTWQEYSA-N -1 0 353.423 -0.544 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cc(N3CCOCC3)ccn2)C(=O)N1S(=O)(=O)[O-] ZINC001192259245 840909158 /nfs/dbraw/zinc/90/91/58/840909158.db2.gz JRJVVNNHNAFIQG-CABZTGNLSA-N -1 0 370.387 -0.950 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2nc(Cc3ccccc3)no2)C(=O)N1S(=O)(=O)[O-] ZINC001192276967 840910131 /nfs/dbraw/zinc/91/01/31/840910131.db2.gz LAVFCJAXCGRJKJ-KWQFWETISA-N -1 0 366.355 -0.208 20 0 FBADRM C[C@H](O)c1ccc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1 ZINC001192349945 840917300 /nfs/dbraw/zinc/91/73/00/840917300.db2.gz CERYXFMGYXNUIQ-LURJTMIESA-N -1 0 369.359 -0.550 20 0 FBADRM C[C@@H](O)c1ccc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1 ZINC001192349946 840917526 /nfs/dbraw/zinc/91/75/26/840917526.db2.gz CERYXFMGYXNUIQ-ZCFIWIBFSA-N -1 0 369.359 -0.550 20 0 FBADRM Cc1cc(Cl)ncc1S(=O)(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001192369353 840918218 /nfs/dbraw/zinc/91/82/18/840918218.db2.gz AIAVHAALLAMICM-RCOVLWMOSA-N -1 0 369.808 -0.276 20 0 FBADRM Cc1cc(C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)c(C)n1C ZINC001192429141 840924897 /nfs/dbraw/zinc/92/48/97/840924897.db2.gz URNYZYUWSVFHEM-UHFFFAOYSA-N -1 0 356.364 -0.648 20 0 FBADRM NC(=O)C(NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)C(N)=O ZINC001192438764 840931585 /nfs/dbraw/zinc/93/15/85/840931585.db2.gz SOCFZDMZFLDAMC-UHFFFAOYSA-N -1 0 370.170 -0.691 20 0 FBADRM NC(=O)[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001192449223 840933406 /nfs/dbraw/zinc/93/34/06/840933406.db2.gz BWLMDBZBTPFTOC-SSDOTTSWSA-N -1 0 357.171 -0.184 20 0 FBADRM NC(=O)[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001192449224 840933482 /nfs/dbraw/zinc/93/34/82/840933482.db2.gz BWLMDBZBTPFTOC-ZETCQYMHSA-N -1 0 357.171 -0.184 20 0 FBADRM Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001192549043 840940843 /nfs/dbraw/zinc/94/08/43/840940843.db2.gz BJDHQULZTWSFQE-CABZTGNLSA-N -1 0 365.371 -0.292 20 0 FBADRM Cc1cc(S(=O)(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cnc1Cl ZINC001192583203 840945694 /nfs/dbraw/zinc/94/56/94/840945694.db2.gz KNVWWOHKHMLJAA-XPUUQOCRSA-N -1 0 369.808 -0.276 20 0 FBADRM Cc1nc(C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)sc1C ZINC001192597991 840946466 /nfs/dbraw/zinc/94/64/66/840946466.db2.gz QRNDGTABGGWPOY-UHFFFAOYSA-N -1 0 360.377 -0.530 20 0 FBADRM CCOc1ccc(S(=O)(=O)N2CCN(CC(N)=O)CC2)cc1C(=O)[O-] ZINC001192631181 840950495 /nfs/dbraw/zinc/95/04/95/840950495.db2.gz YPNTWTUAKGXLAK-UHFFFAOYSA-N -1 0 371.415 -0.425 20 0 FBADRM CCOC(=O)[C@H](CO)NS(=O)(=O)c1ccc(OCC)c(C(=O)[O-])c1 ZINC001192656238 840949062 /nfs/dbraw/zinc/94/90/62/840949062.db2.gz ICRCVSQWKVPCMF-NSHDSACASA-N -1 0 361.372 -0.014 20 0 FBADRM CCOc1ccc(S(=O)(=O)N[C@H](C(=O)OC)[C@@H](C)O)cc1C(=O)[O-] ZINC001192656330 840949704 /nfs/dbraw/zinc/94/97/04/840949704.db2.gz NCXHVIBULJCMPP-PELKAZGASA-N -1 0 361.372 -0.016 20 0 FBADRM CCOc1ccc(S(=O)(=O)NCc2noc(C(N)=O)n2)cc1C(=O)[O-] ZINC001192659315 840948937 /nfs/dbraw/zinc/94/89/37/840948937.db2.gz BVIZXASCWUENDH-UHFFFAOYSA-N -1 0 370.343 -0.256 20 0 FBADRM CCOc1ccc(S(=O)(=O)NC[C@H]2CNC(=O)CO2)cc1C(=O)[O-] ZINC001192660387 840948928 /nfs/dbraw/zinc/94/89/28/840948928.db2.gz QPVOHYRXRDBACY-SECBINFHSA-N -1 0 358.372 -0.423 20 0 FBADRM CCOc1ccc(S(=O)(=O)NC[C@@H]2CNC(=O)CO2)cc1C(=O)[O-] ZINC001192660493 840949585 /nfs/dbraw/zinc/94/95/85/840949585.db2.gz QPVOHYRXRDBACY-VIFPVBQESA-N -1 0 358.372 -0.423 20 0 FBADRM CCOc1ccc(S(=O)(=O)NCCN2C(=O)C=CC2=O)cc1C(=O)[O-] ZINC001192660524 840949097 /nfs/dbraw/zinc/94/90/97/840949097.db2.gz SVIFSBBYVJVDRP-UHFFFAOYSA-N -1 0 368.367 -0.013 20 0 FBADRM CCOc1ccc(S(=O)(=O)N[C@@H](C(=O)OC)[C@@H](C)O)cc1C(=O)[O-] ZINC001192664232 840957140 /nfs/dbraw/zinc/95/71/40/840957140.db2.gz NCXHVIBULJCMPP-PRHODGIISA-N -1 0 361.372 -0.016 20 0 FBADRM CCOc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OC)cc1C(=O)[O-] ZINC001192664696 840956857 /nfs/dbraw/zinc/95/68/57/840956857.db2.gz SCPXZWAUPVNVSM-UHFFFAOYSA-N -1 0 374.371 -0.649 20 0 FBADRM CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC(N)=O)cc1C(=O)[O-] ZINC001192669000 840951601 /nfs/dbraw/zinc/95/16/01/840951601.db2.gz GHZLDNJOZWIMDV-QMMMGPOBSA-N -1 0 373.387 -0.948 20 0 FBADRM CCOc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)OC)cc1C(=O)[O-] ZINC001192670569 840951895 /nfs/dbraw/zinc/95/18/95/840951895.db2.gz VIZYNJRKTRYRNJ-SNVBAGLBSA-N -1 0 374.371 -0.521 20 0 FBADRM CCOc1ccc(S(=O)(=O)NC[C@H]2CC(=O)NC2=O)cc1C(=O)[O-] ZINC001192670610 840951615 /nfs/dbraw/zinc/95/16/15/840951615.db2.gz VYWUZLNWBSINOQ-MRVPVSSYSA-N -1 0 356.356 -0.276 20 0 FBADRM CCOc1ccc(S(=O)(=O)NC[C@@H]2CC(=O)NC2=O)cc1C(=O)[O-] ZINC001192670612 840951743 /nfs/dbraw/zinc/95/17/43/840951743.db2.gz VYWUZLNWBSINOQ-QMMMGPOBSA-N -1 0 356.356 -0.276 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CCN(C3COC3)CC2)cc1 ZINC001192678269 840953567 /nfs/dbraw/zinc/95/35/67/840953567.db2.gz UTYXJUIZWCUJNJ-UHFFFAOYSA-N -1 0 356.400 -0.145 20 0 FBADRM NC(=O)c1cc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)ccn1 ZINC001192686750 840952796 /nfs/dbraw/zinc/95/27/96/840952796.db2.gz YMCDUAUVWORCKP-UHFFFAOYSA-N -1 0 351.340 -0.133 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CC(=O)N(C3CC3)C(=O)C2)cc1 ZINC001192689318 840954132 /nfs/dbraw/zinc/95/41/32/840954132.db2.gz AOBUTDKPQSAFBG-UHFFFAOYSA-N -1 0 368.367 -0.328 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC001192689347 840954073 /nfs/dbraw/zinc/95/40/73/840954073.db2.gz BBFFTJJFXNWZSD-LBPRGKRZSA-N -1 0 356.400 -0.145 20 0 FBADRM C[C@]1(CO)CCN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C[C@@H]1O ZINC001192689534 840954124 /nfs/dbraw/zinc/95/41/24/840954124.db2.gz DYUVRBOAHXCCDE-DZGCQCFKSA-N -1 0 359.400 -0.096 20 0 FBADRM C[C@@]1(CO)CCN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C[C@H]1O ZINC001192689535 840954298 /nfs/dbraw/zinc/95/42/98/840954298.db2.gz DYUVRBOAHXCCDE-HIFRSBDPSA-N -1 0 359.400 -0.096 20 0 FBADRM C[C@]1(CO)CCN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C[C@H]1O ZINC001192689536 840954085 /nfs/dbraw/zinc/95/40/85/840954085.db2.gz DYUVRBOAHXCCDE-UKRRQHHQSA-N -1 0 359.400 -0.096 20 0 FBADRM C[C@@]1(CO)CCN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C[C@@H]1O ZINC001192689537 840954052 /nfs/dbraw/zinc/95/40/52/840954052.db2.gz DYUVRBOAHXCCDE-ZFWWWQNUSA-N -1 0 359.400 -0.096 20 0 FBADRM CCN1C(=O)CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CC1=O ZINC001192690106 840954772 /nfs/dbraw/zinc/95/47/72/840954772.db2.gz RANZVBLSFCASOQ-UHFFFAOYSA-N -1 0 356.356 -0.471 20 0 FBADRM C[C@]1(CO)CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CC[C@@H]1O ZINC001192690236 840954603 /nfs/dbraw/zinc/95/46/03/840954603.db2.gz UJNUIFDJGWLGLH-DZGCQCFKSA-N -1 0 359.400 -0.096 20 0 FBADRM C[C@@]1(CO)CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CC[C@H]1O ZINC001192690238 840954078 /nfs/dbraw/zinc/95/40/78/840954078.db2.gz UJNUIFDJGWLGLH-HIFRSBDPSA-N -1 0 359.400 -0.096 20 0 FBADRM C[C@]1(CO)CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CC[C@H]1O ZINC001192690240 840954475 /nfs/dbraw/zinc/95/44/75/840954475.db2.gz UJNUIFDJGWLGLH-UKRRQHHQSA-N -1 0 359.400 -0.096 20 0 FBADRM C[C@@]1(CO)CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CC[C@@H]1O ZINC001192690241 840954094 /nfs/dbraw/zinc/95/40/94/840954094.db2.gz UJNUIFDJGWLGLH-ZFWWWQNUSA-N -1 0 359.400 -0.096 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CCN(CCCO)CC2)cc1 ZINC001192690266 840954333 /nfs/dbraw/zinc/95/43/33/840954333.db2.gz VFLCBKWZBUPKQL-UHFFFAOYSA-N -1 0 358.416 -0.161 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CCc3nncn3CC2)cc1 ZINC001192690362 840954209 /nfs/dbraw/zinc/95/42/09/840954209.db2.gz YOMWPDQKDKRZOK-UHFFFAOYSA-N -1 0 352.372 -0.012 20 0 FBADRM CN1C[C@@H]2CN(S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)C[C@@H]2C1=O ZINC001192696146 840955568 /nfs/dbraw/zinc/95/55/68/840955568.db2.gz ORJRIBGYWTUIHI-MFKMUULPSA-N -1 0 354.384 -0.141 20 0 FBADRM CS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC001192700988 840955278 /nfs/dbraw/zinc/95/52/78/840955278.db2.gz BXXQYTSWKJZTQA-GFCCVEGCSA-N -1 0 363.413 -0.042 20 0 FBADRM CS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC001192700989 840955606 /nfs/dbraw/zinc/95/56/06/840955606.db2.gz BXXQYTSWKJZTQA-LBPRGKRZSA-N -1 0 363.413 -0.042 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CC(N3CCOCC3)C2)cc1 ZINC001192701748 840955445 /nfs/dbraw/zinc/95/54/45/840955445.db2.gz SJRXIOIPVVORAK-UHFFFAOYSA-N -1 0 356.400 -0.145 20 0 FBADRM CN(C1COC1)C1CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC001192702071 840955712 /nfs/dbraw/zinc/95/57/12/840955712.db2.gz AKAYXPCFHOTIAN-UHFFFAOYSA-N -1 0 356.400 -0.147 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CC[C@H]3CNC(=O)[C@H]3C2)cc1 ZINC001192702363 840955598 /nfs/dbraw/zinc/95/55/98/840955598.db2.gz GPJCDFWLJQFSFV-GWCFXTLKSA-N -1 0 354.384 -0.093 20 0 FBADRM CNC(=O)N1CCN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC001192704345 840955336 /nfs/dbraw/zinc/95/53/36/840955336.db2.gz NHCUXXLFRHKUQR-UHFFFAOYSA-N -1 0 357.388 -0.204 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CCN3C(=O)COC[C@H]3C2)cc1 ZINC001192704398 840952939 /nfs/dbraw/zinc/95/29/39/840952939.db2.gz OGFUNCFGHVOYMR-LLVKDONJSA-N -1 0 370.383 -0.618 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CCN3C(=O)COC[C@@H]3C2)cc1 ZINC001192704402 840952822 /nfs/dbraw/zinc/95/28/22/840952822.db2.gz OGFUNCFGHVOYMR-NSHDSACASA-N -1 0 370.383 -0.618 20 0 FBADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CCN1C ZINC001192704738 840959187 /nfs/dbraw/zinc/95/91/87/840959187.db2.gz UYUMSUFGPQQKHT-CYBMUJFWSA-N -1 0 372.399 -0.372 20 0 FBADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CCN1C ZINC001192704742 840959462 /nfs/dbraw/zinc/95/94/62/840959462.db2.gz UYUMSUFGPQQKHT-ZDUSSCGKSA-N -1 0 372.399 -0.372 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2C[C@@H]3CCNC(=O)[C@@H]3C2)cc1 ZINC001192704916 840959786 /nfs/dbraw/zinc/95/97/86/840959786.db2.gz ZLZKAHADSNAEAT-GXFFZTMASA-N -1 0 354.384 -0.093 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2C[C@@H]3COC[C@H](C2)C3=O)cc1 ZINC001192714409 840959803 /nfs/dbraw/zinc/95/98/03/840959803.db2.gz RAFHRIFHTZWJPJ-PHIMTYICSA-N -1 0 355.368 -0.014 20 0 FBADRM COC(=O)[C@H]1CN(C)CCN1S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192716553 840959694 /nfs/dbraw/zinc/95/96/94/840959694.db2.gz RCRSQIDZMYWJHG-CYBMUJFWSA-N -1 0 372.399 -0.372 20 0 FBADRM COC(=O)[C@@H]1CN(C)CCN1S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192716554 840959319 /nfs/dbraw/zinc/95/93/19/840959319.db2.gz RCRSQIDZMYWJHG-ZDUSSCGKSA-N -1 0 372.399 -0.372 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CCC3(CNC(=O)N3)CC2)cc1 ZINC001192717095 840959277 /nfs/dbraw/zinc/95/92/77/840959277.db2.gz XOCIZPAEFUUDKX-UHFFFAOYSA-N -1 0 369.399 -0.014 20 0 FBADRM C[C@@H]1O[C@@H](OCCNC(=O)c2c(F)ccc(F)c2[O-])[C@@H](O)[C@H](O)[C@@H]1O ZINC001192717546 840959043 /nfs/dbraw/zinc/95/90/43/840959043.db2.gz BGCLKIHVDSNWBZ-PASILKCCSA-N -1 0 363.313 -0.756 20 0 FBADRM CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1)[C@@H](C)O ZINC001192734045 840958183 /nfs/dbraw/zinc/95/81/83/840958183.db2.gz LIHDAJOPRNLULD-RNCFNFMXSA-N -1 0 361.372 -0.259 20 0 FBADRM COC(=O)CCC(=O)CNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192734066 840958290 /nfs/dbraw/zinc/95/82/90/840958290.db2.gz MUXSUHHMLZUVQG-UHFFFAOYSA-N -1 0 359.356 -0.049 20 0 FBADRM Cn1c(=O)cc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)n(C)c1=O ZINC001192734073 840957886 /nfs/dbraw/zinc/95/78/86/840957886.db2.gz NKTISDGLMNTPLH-UHFFFAOYSA-N -1 0 369.355 -0.652 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)NCCCc2c[nH][nH]c2=O)cc1 ZINC001192734155 840958397 /nfs/dbraw/zinc/95/83/97/840958397.db2.gz PXWRBBOPDZWXMR-JTQLQIEISA-N -1 0 355.372 -0.060 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)NCCCc2c[nH][nH]c2=O)cc1 ZINC001192734158 840958015 /nfs/dbraw/zinc/95/80/15/840958015.db2.gz PXWRBBOPDZWXMR-SNVBAGLBSA-N -1 0 355.372 -0.060 20 0 FBADRM CCOC(=O)CNC(=O)CNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192734458 840958474 /nfs/dbraw/zinc/95/84/74/840958474.db2.gz XBFIEBLAHRRPJY-UHFFFAOYSA-N -1 0 374.371 -0.892 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)NCCOCCOCCO)cc1 ZINC001192739794 840958484 /nfs/dbraw/zinc/95/84/84/840958484.db2.gz ABJUXVKLLORNMH-UHFFFAOYSA-N -1 0 363.388 -0.546 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N[C@@H]2COCCC23OCCO3)cc1 ZINC001192739823 840958264 /nfs/dbraw/zinc/95/82/64/840958264.db2.gz AYHPXHHHUFRFFO-CYBMUJFWSA-N -1 0 373.383 -0.040 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N[C@H]2COCCC23OCCO3)cc1 ZINC001192739824 840958381 /nfs/dbraw/zinc/95/83/81/840958381.db2.gz AYHPXHHHUFRFFO-ZDUSSCGKSA-N -1 0 373.383 -0.040 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N[C@H]2CCN(C3COC3)C2)cc1 ZINC001192739980 840958227 /nfs/dbraw/zinc/95/82/27/840958227.db2.gz FKHNTJPQCCBALU-NSHDSACASA-N -1 0 356.400 -0.099 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)NCCN2C(=O)C=CC2=O)cc1 ZINC001192740199 840958410 /nfs/dbraw/zinc/95/84/10/840958410.db2.gz GKEGDRSLMGWAKA-UHFFFAOYSA-N -1 0 354.340 -0.647 20 0 FBADRM CS(=O)(=O)N1CC(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC001192740294 840958296 /nfs/dbraw/zinc/95/82/96/840958296.db2.gz KSEKZRRHXDINTJ-UHFFFAOYSA-N -1 0 364.401 -0.928 20 0 FBADRM NC(=O)c1nc(CNS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)no1 ZINC001192740489 840957729 /nfs/dbraw/zinc/95/77/29/840957729.db2.gz MOWDCUFKYYBSCA-UHFFFAOYSA-N -1 0 356.316 -0.890 20 0 FBADRM Cn1c(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc(=O)[nH]c1=O ZINC001192740496 840957993 /nfs/dbraw/zinc/95/79/93/840957993.db2.gz MRPWKKBJCRPDBN-UHFFFAOYSA-N -1 0 355.328 -0.250 20 0 FBADRM CCOC(=O)C(NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1)=C(C)O ZINC001192740520 840957809 /nfs/dbraw/zinc/95/78/09/840957809.db2.gz NIRNQWHYWSGHNZ-CYBMUJFWSA-N -1 0 359.356 -0.051 20 0 FBADRM CCOC(=O)C(NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1)=C(C)O ZINC001192740524 840957921 /nfs/dbraw/zinc/95/79/21/840957921.db2.gz NIRNQWHYWSGHNZ-ZDUSSCGKSA-N -1 0 359.356 -0.051 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)[C@@H](O)C1 ZINC001192742158 840957999 /nfs/dbraw/zinc/95/79/99/840957999.db2.gz SUXGIIGHPXMZFH-BDAKNGLRSA-N -1 0 357.454 -0.471 20 0 FBADRM C[C@]1(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CCC(=O)NC1=O ZINC001192743108 840958274 /nfs/dbraw/zinc/95/82/74/840958274.db2.gz DSKSSDNDMIHHGS-AWEZNQCLSA-N -1 0 356.356 -0.376 20 0 FBADRM C[C@@]1(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CCC(=O)NC1=O ZINC001192743109 840958492 /nfs/dbraw/zinc/95/84/92/840958492.db2.gz DSKSSDNDMIHHGS-CQSZACIVSA-N -1 0 356.356 -0.376 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)NCCN2CC3(COC3)C2)cc1 ZINC001192743294 840958438 /nfs/dbraw/zinc/95/84/38/840958438.db2.gz HTNFGCCRYFYRFK-UHFFFAOYSA-N -1 0 356.400 -0.240 20 0 FBADRM CCOC(=O)[C@H](NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1)[C@@H](C)O ZINC001192743531 840957842 /nfs/dbraw/zinc/95/78/42/840957842.db2.gz LIHDAJOPRNLULD-NOZJJQNGSA-N -1 0 361.372 -0.259 20 0 FBADRM Cn1c(=O)cc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)[nH]c1=O ZINC001192744016 840957872 /nfs/dbraw/zinc/95/78/72/840957872.db2.gz WLLMBGPLOUQZQO-UHFFFAOYSA-N -1 0 355.328 -0.250 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1)C(N)=O ZINC001192749327 840963784 /nfs/dbraw/zinc/96/37/84/840963784.db2.gz BSLDGEKXZNBJHL-NSHDSACASA-N -1 0 374.371 -0.765 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)NCCN2CCC[C@@H](O)C2)cc1 ZINC001192751302 840963716 /nfs/dbraw/zinc/96/37/16/840963716.db2.gz RDDYGUDSKYASCV-GFCCVEGCSA-N -1 0 358.416 -0.115 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)NCCN2CCC[C@H](O)C2)cc1 ZINC001192751304 840963276 /nfs/dbraw/zinc/96/32/76/840963276.db2.gz RDDYGUDSKYASCV-LBPRGKRZSA-N -1 0 358.416 -0.115 20 0 FBADRM COC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192754040 840963965 /nfs/dbraw/zinc/96/39/65/840963965.db2.gz WFXCVSHVBZILJQ-VIFPVBQESA-N -1 0 374.371 -0.894 20 0 FBADRM C[C@@H]1O[C@@H](OCCNC(=O)c2c([O-])ccc(F)c2F)[C@@H](O)[C@H](O)[C@@H]1O ZINC001192784770 840962409 /nfs/dbraw/zinc/96/24/09/840962409.db2.gz PDQJWRYSWWIUKT-HSKWICLISA-N -1 0 363.313 -0.756 20 0 FBADRM C[C@@H]1O[C@@H](OCCNC(=O)c2ccc(F)c(F)c2[O-])[C@@H](O)[C@H](O)[C@@H]1O ZINC001192818961 840966419 /nfs/dbraw/zinc/96/64/19/840966419.db2.gz VRDWOVAKJFMUCL-PASILKCCSA-N -1 0 363.313 -0.756 20 0 FBADRM C[C@@H]1O[C@@H](OCCNC(=O)c2ccc([O-])c(F)c2F)[C@@H](O)[C@H](O)[C@@H]1O ZINC001192849807 840968389 /nfs/dbraw/zinc/96/83/89/840968389.db2.gz UEILEMNUNJPNPZ-HSKWICLISA-N -1 0 363.313 -0.756 20 0 FBADRM C[C@@H]1O[C@@H](OCCNC(=O)c2cc(F)c([O-])cc2F)[C@@H](O)[C@H](O)[C@@H]1O ZINC001192887213 840972952 /nfs/dbraw/zinc/97/29/52/840972952.db2.gz DQKLOVRHECWHBN-HSKWICLISA-N -1 0 363.313 -0.756 20 0 FBADRM C[C@H]1[C@H](NS(=O)(=O)c2cnccc2Cl)C(=O)N1S(=O)(=O)[O-] ZINC001192910204 840975361 /nfs/dbraw/zinc/97/53/61/840975361.db2.gz CWHHDBKTURBXRC-XNCJUZBTSA-N -1 0 355.781 -0.585 20 0 FBADRM Cn1nc(Cl)cc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001192919589 840975453 /nfs/dbraw/zinc/97/54/53/840975453.db2.gz YDQYUCNWIDKLDP-VIFPVBQESA-N -1 0 368.781 -0.271 20 0 FBADRM CCc1cccc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001192952628 840977673 /nfs/dbraw/zinc/97/76/73/840977673.db2.gz HOOBWGYIJWUXDN-UHFFFAOYSA-N -1 0 353.360 -0.041 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccnc(C2CC2)c1 ZINC001193000991 840988298 /nfs/dbraw/zinc/98/82/98/840988298.db2.gz IRELNSUIRHTXPH-UHFFFAOYSA-N -1 0 366.359 -0.331 20 0 FBADRM Cc1nc(CCCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)cs1 ZINC001193005366 840987520 /nfs/dbraw/zinc/98/75/20/840987520.db2.gz KOHKXEHTGLTQBH-VXGBXAGGSA-N -1 0 366.447 -0.041 20 0 FBADRM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ncnc2c1ncn2CCO ZINC001193017400 840993591 /nfs/dbraw/zinc/99/35/91/840993591.db2.gz XYYWLMMEAAZHFV-UHFFFAOYSA-N -1 0 357.392 -0.098 20 0 FBADRM CCOCCC1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)CCC1 ZINC001193031942 840993416 /nfs/dbraw/zinc/99/34/16/840993416.db2.gz NDMLRSDQGORXOO-VXGBXAGGSA-N -1 0 353.423 -0.232 20 0 FBADRM CCOC(=O)C(C)(C)S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)OC(C)(C)C ZINC001193073814 840994338 /nfs/dbraw/zinc/99/43/38/840994338.db2.gz VMXKSYWWUMMHJN-VIFPVBQESA-N -1 0 366.436 -0.167 20 0 FBADRM CNc1nc(SC)ncc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001193115873 840999957 /nfs/dbraw/zinc/99/99/57/840999957.db2.gz LJTQILSBYRXRNV-FSPLSTOPSA-N -1 0 361.405 -0.628 20 0 FBADRM O=S(=O)(C[C@H]1CCCO1)[N-]c1cc(N2CCN(CCO)CC2)ncn1 ZINC001193206374 841013439 /nfs/dbraw/zinc/01/34/39/841013439.db2.gz CTBGCWYIVWGLIP-CYBMUJFWSA-N -1 0 371.463 -0.488 20 0 FBADRM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cc(N2CCN(CCO)CC2)ncn1 ZINC001193206375 841013242 /nfs/dbraw/zinc/01/32/42/841013242.db2.gz CTBGCWYIVWGLIP-ZDUSSCGKSA-N -1 0 371.463 -0.488 20 0 FBADRM O=S(=O)([O-])CCCCN1CCN(S(=O)(=O)C[C@H]2CCCO2)CC1 ZINC001193245781 841018152 /nfs/dbraw/zinc/01/81/52/841018152.db2.gz BXZSTVRLDDJODR-CYBMUJFWSA-N -1 0 370.493 -0.219 20 0 FBADRM O=S(=O)([O-])CCCCN1CCN(S(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC001193245782 841017854 /nfs/dbraw/zinc/01/78/54/841017854.db2.gz BXZSTVRLDDJODR-ZDUSSCGKSA-N -1 0 370.493 -0.219 20 0 FBADRM NC(=O)[N-]S(=O)(=O)c1ccc(NS(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC001193261687 841019830 /nfs/dbraw/zinc/01/98/30/841019830.db2.gz NACVTNLERDDRGC-JTQLQIEISA-N -1 0 363.417 -0.036 20 0 FBADRM NC(=O)[N-]S(=O)(=O)c1ccc(NS(=O)(=O)C[C@H]2CCCO2)cc1 ZINC001193261691 841019112 /nfs/dbraw/zinc/01/91/12/841019112.db2.gz NACVTNLERDDRGC-SNVBAGLBSA-N -1 0 363.417 -0.036 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cc(Br)n[nH]2)C(=O)N1S(=O)(=O)[O-] ZINC001193297547 841020378 /nfs/dbraw/zinc/02/03/78/841020378.db2.gz STMRNKPXVSDKDI-DZSWIPIPSA-N -1 0 353.154 -0.696 20 0 FBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC001193305005 841020817 /nfs/dbraw/zinc/02/08/17/841020817.db2.gz CEFYHUIHVVVAFD-IUCAKERBSA-N -1 0 357.454 -0.605 20 0 FBADRM COC(=O)C[C@H](O)C[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC001193313985 841024137 /nfs/dbraw/zinc/02/41/37/841024137.db2.gz BYCBSZNLGWLNHO-CHNSCGDPSA-N -1 0 350.418 -0.098 20 0 FBADRM COC(=O)C[C@H](O)C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC001193313986 841024499 /nfs/dbraw/zinc/02/44/99/841024499.db2.gz BYCBSZNLGWLNHO-CWKPULSASA-N -1 0 350.418 -0.098 20 0 FBADRM COC(=O)C[C@@H](O)C[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC001193313987 841024688 /nfs/dbraw/zinc/02/46/88/841024688.db2.gz BYCBSZNLGWLNHO-LADRHHBVSA-N -1 0 350.418 -0.098 20 0 FBADRM COC(=O)C[C@@H](O)C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC001193313988 841024881 /nfs/dbraw/zinc/02/48/81/841024881.db2.gz BYCBSZNLGWLNHO-UZJPJQLHSA-N -1 0 350.418 -0.098 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc(Br)[nH]2)C(=O)N1S(=O)(=O)[O-] ZINC001193341723 841023567 /nfs/dbraw/zinc/02/35/67/841023567.db2.gz QFWHAFDPWYGJPX-FFWSUHOLSA-N -1 0 352.166 -0.091 20 0 FBADRM CC(=O)C(=O)Oc1ccccc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001193406928 841024358 /nfs/dbraw/zinc/02/43/58/841024358.db2.gz QGIAGGOAXGSTGT-CPCISQLKSA-N -1 0 370.339 -0.687 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cnnn2-c2ccccc2)C(=O)N1S(=O)(=O)[O-] ZINC001193429588 841034397 /nfs/dbraw/zinc/03/43/97/841034397.db2.gz OMITUZFBVHWEAX-KWQFWETISA-N -1 0 351.344 -0.601 20 0 FBADRM CCCc1ncncc1C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001193436448 841028689 /nfs/dbraw/zinc/02/86/89/841028689.db2.gz RISSOZWDQWJLDB-UHFFFAOYSA-N -1 0 369.363 -0.860 20 0 FBADRM COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)c1cc(=O)[nH][n-]1 ZINC001193464900 841034270 /nfs/dbraw/zinc/03/42/70/841034270.db2.gz BNEJBUIOXIVJGN-BDJLRTHQSA-N -1 0 352.391 -0.016 20 0 FBADRM COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)c1cc(=O)[nH][n-]1 ZINC001193464914 841034154 /nfs/dbraw/zinc/03/41/54/841034154.db2.gz BNEJBUIOXIVJGN-BZNIZROVSA-N -1 0 352.391 -0.016 20 0 FBADRM COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)c1cc(=O)[nH][n-]1 ZINC001193464917 841033990 /nfs/dbraw/zinc/03/39/90/841033990.db2.gz BNEJBUIOXIVJGN-MEDUHNTESA-N -1 0 352.391 -0.016 20 0 FBADRM COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)c1cc(=O)[nH][n-]1 ZINC001193464919 841034026 /nfs/dbraw/zinc/03/40/26/841034026.db2.gz BNEJBUIOXIVJGN-ZBEGNZNMSA-N -1 0 352.391 -0.016 20 0 FBADRM CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)c3cc(=O)[nH][n-]3)C2)C1 ZINC001193466405 841036460 /nfs/dbraw/zinc/03/64/60/841036460.db2.gz WRWXKRLNXFGTIK-INIZCTEOSA-N -1 0 351.407 -0.584 20 0 FBADRM CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)c3cc(=O)[nH][n-]3)C2)C1 ZINC001193466406 841036951 /nfs/dbraw/zinc/03/69/51/841036951.db2.gz WRWXKRLNXFGTIK-MRXNPFEDSA-N -1 0 351.407 -0.584 20 0 FBADRM CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)c2cc(=O)[nH][n-]2)O1 ZINC001193466450 841037739 /nfs/dbraw/zinc/03/77/39/841037739.db2.gz YVECGEOBFZEEGC-RAIGVLPGSA-N -1 0 352.391 -0.018 20 0 FBADRM CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001193467748 841038848 /nfs/dbraw/zinc/03/88/48/841038848.db2.gz VNOMVWCDFCLEIS-INIZCTEOSA-N -1 0 352.391 -0.159 20 0 FBADRM CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001193467749 841037172 /nfs/dbraw/zinc/03/71/72/841037172.db2.gz VNOMVWCDFCLEIS-MRXNPFEDSA-N -1 0 352.391 -0.159 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2cc(=O)[nH][n-]2)C(=O)C1 ZINC001193474887 841040176 /nfs/dbraw/zinc/04/01/76/841040176.db2.gz LMSLRNUAQXBFTI-UHFFFAOYSA-N -1 0 353.379 -0.076 20 0 FBADRM CC(C)c1csc(C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)n1 ZINC001193500854 841048748 /nfs/dbraw/zinc/04/87/48/841048748.db2.gz KQTFFBYGLKFDCA-UHFFFAOYSA-N -1 0 374.404 -0.023 20 0 FBADRM CCOC(=O)c1snc(C(N)=O)c1[N-]S(=O)(=O)c1nccn1C ZINC001193554672 841056006 /nfs/dbraw/zinc/05/60/06/841056006.db2.gz BMPHIOAHOPFBRC-UHFFFAOYSA-N -1 0 359.389 -0.047 20 0 FBADRM Cn1ccnc1S(=O)(=O)[N-]c1c(C(N)=O)cnn1C1CCOCC1 ZINC001193556240 841057700 /nfs/dbraw/zinc/05/77/00/841057700.db2.gz DBVYKFRPNGSITC-UHFFFAOYSA-N -1 0 354.392 -0.132 20 0 FBADRM CCOC(=O)Cn1cnc2c1ncnc2[N-]S(=O)(=O)c1nccn1C ZINC001193557820 841058800 /nfs/dbraw/zinc/05/88/00/841058800.db2.gz UMFKZBUCPQNXPI-UHFFFAOYSA-N -1 0 365.375 -0.076 20 0 FBADRM Cn1ccnc1S(=O)(=O)[N-]c1cc(N2CCN(CCO)CC2)ncn1 ZINC001193557928 841058768 /nfs/dbraw/zinc/05/87/68/841058768.db2.gz WCSAOXNXYPZCTE-UHFFFAOYSA-N -1 0 367.435 -0.875 20 0 FBADRM Cn1ccnc1S(=O)(=O)[N-]c1ncc(Br)nc1C(N)=O ZINC001193558110 841058402 /nfs/dbraw/zinc/05/84/02/841058402.db2.gz ZLMHYKMMPINDOA-UHFFFAOYSA-N -1 0 361.181 -0.128 20 0 FBADRM COCC1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)CCCCC1 ZINC001193559178 841058608 /nfs/dbraw/zinc/05/86/08/841058608.db2.gz YMDARVMLAQWWHG-VXGBXAGGSA-N -1 0 353.423 -0.232 20 0 FBADRM Cn1ncc(CN2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)n1 ZINC001193583161 841054290 /nfs/dbraw/zinc/05/42/90/841054290.db2.gz LGVCLVXXCUGOCV-UHFFFAOYSA-N -1 0 356.374 -0.234 20 0 FBADRM O=S(=O)([N-]CC(F)(F)F)NC1CC[NH+](CCn2cnnn2)CC1 ZINC001193583640 841053367 /nfs/dbraw/zinc/05/33/67/841053367.db2.gz PFAMEHXKJYCAQJ-UHFFFAOYSA-N -1 0 357.362 -0.876 20 0 FBADRM Cn1ccnc1S(=O)(=O)N1CCN(CCCCS(=O)(=O)[O-])CC1 ZINC001193588532 841054879 /nfs/dbraw/zinc/05/48/79/841054879.db2.gz WJYIXABHEXDDET-UHFFFAOYSA-N -1 0 366.465 -0.606 20 0 FBADRM Cc1oc(S(=O)(=O)N2CCCC2)cc1C(=O)NCS(=O)(=O)[O-] ZINC001193598162 841061335 /nfs/dbraw/zinc/06/13/35/841061335.db2.gz PHSVCBHXFOCLRU-UHFFFAOYSA-N -1 0 352.390 -0.052 20 0 FBADRM Cc1cc(F)ncc1C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001193623935 841059734 /nfs/dbraw/zinc/05/97/34/841059734.db2.gz XATLZMXAJNEJNF-UHFFFAOYSA-N -1 0 358.311 -0.760 20 0 FBADRM Cn1ccnc1S(=O)(=O)NCC[N-]C(=O)C(F)(F)Br ZINC001193636694 841059385 /nfs/dbraw/zinc/05/93/85/841059385.db2.gz XZGSWBICRFVQNH-UHFFFAOYSA-N -1 0 361.168 -0.198 20 0 FBADRM O=S(=O)([N-][C@@H]1CS(=O)(=O)C[C@H]1O)c1occc1Br ZINC001193658528 841063885 /nfs/dbraw/zinc/06/38/85/841063885.db2.gz AJYKNGXBBUEDRY-RNFRBKRXSA-N -1 0 360.207 -0.522 20 0 FBADRM Cc1cnc(CCCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)o1 ZINC001193663062 841063954 /nfs/dbraw/zinc/06/39/54/841063954.db2.gz RWHBYASPWRUGGX-GHMZBOCLSA-N -1 0 350.379 -0.509 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cnn(C)c2C(F)(F)F)C(=O)N1S(=O)(=O)[O-] ZINC001193682828 841065588 /nfs/dbraw/zinc/06/55/88/841065588.db2.gz ZXGXLKVTSHTLTQ-NJGYIYPDSA-N -1 0 356.282 -0.429 20 0 FBADRM N=C(NC(=O)c1ccc(-n2cncn2)nc1)SCCS(=O)(=O)[O-] ZINC001193701986 841071161 /nfs/dbraw/zinc/07/11/61/841071161.db2.gz WXOMWLJZQDJQDS-UHFFFAOYSA-N -1 0 356.389 -0.052 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ncn(-c3cccc(F)c3)n2)C(=O)N1S(=O)(=O)[O-] ZINC001193759893 841080030 /nfs/dbraw/zinc/08/00/30/841080030.db2.gz DAJQSDLEEFMPCU-XVKPBYJWSA-N -1 0 369.334 -0.462 20 0 FBADRM C[C@@H]1O[C@@H](OCCNC(=O)c2ccc(F)c([O-])c2F)[C@@H](O)[C@H](O)[C@@H]1O ZINC001193800593 841082676 /nfs/dbraw/zinc/08/26/76/841082676.db2.gz MUZBNKUBTLGJEM-PASILKCCSA-N -1 0 363.313 -0.756 20 0 FBADRM COC(=O)[C@H](CCC1OCCO1)[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC001193848995 841090034 /nfs/dbraw/zinc/09/00/34/841090034.db2.gz BJPMNZVUBAGUNT-AUADJRAKSA-N -1 0 373.453 -0.910 20 0 FBADRM COC(=O)[C@@H](CCC1OCCO1)[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC001193848996 841090642 /nfs/dbraw/zinc/09/06/42/841090642.db2.gz BJPMNZVUBAGUNT-CLTRCRFRSA-N -1 0 373.453 -0.910 20 0 FBADRM COC(=O)[C@H](CCC1OCCO1)[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC001193848997 841090330 /nfs/dbraw/zinc/09/03/30/841090330.db2.gz BJPMNZVUBAGUNT-GTUYJWLHSA-N -1 0 373.453 -0.910 20 0 FBADRM COC(=O)[C@@H](CCC1OCCO1)[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC001193848998 841089909 /nfs/dbraw/zinc/08/99/09/841089909.db2.gz BJPMNZVUBAGUNT-PVBMHHQDSA-N -1 0 373.453 -0.910 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cccc(-n3cncn3)c2)C(=O)N1S(=O)(=O)[O-] ZINC001193898764 841096539 /nfs/dbraw/zinc/09/65/39/841096539.db2.gz SYLICXLPHAYAFP-KWQFWETISA-N -1 0 351.344 -0.601 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(S(=O)(=O)CCN2CCOC2=O)C1 ZINC001193949073 841106706 /nfs/dbraw/zinc/10/67/06/841106706.db2.gz NRUQVXBYZRBSHT-LLVKDONJSA-N -1 0 373.353 -0.089 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(S(=O)(=O)CCN2CCOC2=O)C1 ZINC001193949074 841105973 /nfs/dbraw/zinc/10/59/73/841105973.db2.gz NRUQVXBYZRBSHT-NSHDSACASA-N -1 0 373.353 -0.089 20 0 FBADRM COC(=O)[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001194022522 841108464 /nfs/dbraw/zinc/10/84/64/841108464.db2.gz SPRNJZJXAFXUAF-MRVPVSSYSA-N -1 0 355.727 -0.011 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NC(CO)(CO)CO)c(Cl)cc1F ZINC001194025224 841110641 /nfs/dbraw/zinc/11/06/41/841110641.db2.gz BHHDGFMZVNHVOC-UHFFFAOYSA-N -1 0 357.743 -0.829 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CNC(=O)CO2)c(Cl)cc1F ZINC001194031989 841110600 /nfs/dbraw/zinc/11/06/00/841110600.db2.gz WPTFCQYQNDTXEZ-LURJTMIESA-N -1 0 366.754 -0.029 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CNC(=O)CO2)c(Cl)cc1F ZINC001194031990 841109609 /nfs/dbraw/zinc/10/96/09/841109609.db2.gz WPTFCQYQNDTXEZ-ZCFIWIBFSA-N -1 0 366.754 -0.029 20 0 FBADRM CC(C)OC(=O)c1ncccc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001194039523 841111150 /nfs/dbraw/zinc/11/11/50/841111150.db2.gz GALFMQZBVAQGSW-WPRPVWTQSA-N -1 0 371.371 -0.221 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl)C(N)=O ZINC001194041295 841112824 /nfs/dbraw/zinc/11/28/24/841112824.db2.gz YLDAXJFUSVZFAN-ZETCQYMHSA-N -1 0 367.742 -0.815 20 0 FBADRM NC(=O)CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001194043881 841112670 /nfs/dbraw/zinc/11/26/70/841112670.db2.gz HJGYLOCFSIDEEJ-UHFFFAOYSA-N -1 0 367.742 -0.943 20 0 FBADRM CSc1cncc(C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)c1 ZINC001194084234 841114181 /nfs/dbraw/zinc/11/41/81/841114181.db2.gz ZARGEKOECDTNHP-UHFFFAOYSA-N -1 0 372.388 -0.486 20 0 FBADRM CC(=O)NCc1ccc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1 ZINC001194086897 841119077 /nfs/dbraw/zinc/11/90/77/841119077.db2.gz UMXLTYJZVODKKC-UFBFGSQYSA-N -1 0 355.372 -0.545 20 0 FBADRM CS(=O)(=O)c1cncc(C(=O)NC(=N)SCCS(=O)(=O)[O-])c1 ZINC001194138796 841127796 /nfs/dbraw/zinc/12/77/96/841127796.db2.gz OVBFPRFOGYJCMD-UHFFFAOYSA-N -1 0 367.430 -0.229 20 0 FBADRM COC(=O)c1cc(F)cc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1 ZINC001194140654 841127599 /nfs/dbraw/zinc/12/75/99/841127599.db2.gz NFSVFBZICDCJMG-WKEGUHRASA-N -1 0 360.319 -0.256 20 0 FBADRM O=c1[nH]c(=O)n(C2CC2)cc1C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001194179492 841125906 /nfs/dbraw/zinc/12/59/06/841125906.db2.gz WWWRQWSENGDCNV-UHFFFAOYSA-N -1 0 362.433 -0.120 20 0 FBADRM CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n(C)[n-]3)C[C@@H]21 ZINC001194195154 841130620 /nfs/dbraw/zinc/13/06/20/841130620.db2.gz HABMVPNPQXCGNZ-GMXVVIOVSA-N -1 0 351.407 -0.126 20 0 FBADRM COCCN1CCO[C@H]2CN(C(=O)c3cc(=O)n(C)[n-]3)CC[C@H]2C1=O ZINC001194195367 841130416 /nfs/dbraw/zinc/13/04/16/841130416.db2.gz JZDIEYHOUBDGDI-YPMHNXCESA-N -1 0 352.391 -0.538 20 0 FBADRM CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)c3cc(=O)n(C)[n-]3)C[C@H]2C1 ZINC001194196351 841129896 /nfs/dbraw/zinc/12/98/96/841129896.db2.gz SNUOZSNLVGILCI-MNOVXSKESA-N -1 0 357.436 -0.674 20 0 FBADRM CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)c1cc(=O)n(C)[n-]1)CC2 ZINC001194196377 841130609 /nfs/dbraw/zinc/13/06/09/841130609.db2.gz SVFBPDYUYRTDQR-LLVKDONJSA-N -1 0 352.391 -0.348 20 0 FBADRM CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)c1cc(=O)n(C)[n-]1)CC2 ZINC001194196379 841129850 /nfs/dbraw/zinc/12/98/50/841129850.db2.gz SVFBPDYUYRTDQR-NSHDSACASA-N -1 0 352.391 -0.348 20 0 FBADRM Cn1[n-]c(C(=O)N2CC[C@H](NS(=O)(=O)c3ccccn3)C2)cc1=O ZINC001194200127 841131153 /nfs/dbraw/zinc/13/11/53/841131153.db2.gz KOZOKTKXUGIFNE-JTQLQIEISA-N -1 0 351.388 -0.286 20 0 FBADRM Cn1[n-]c(C(=O)N2CC[C@@H](NS(=O)(=O)c3ccccn3)C2)cc1=O ZINC001194200128 841131824 /nfs/dbraw/zinc/13/18/24/841131824.db2.gz KOZOKTKXUGIFNE-SNVBAGLBSA-N -1 0 351.388 -0.286 20 0 FBADRM Cn1c(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c[nH]c1=S ZINC001194257985 841137718 /nfs/dbraw/zinc/13/77/18/841137718.db2.gz XLEZXHGOVNIOIS-VIFPVBQESA-N -1 0 366.403 -0.636 20 0 FBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2cscn2)C[C@H]1O ZINC001194282117 841142974 /nfs/dbraw/zinc/14/29/74/841142974.db2.gz CQQOXVAHCBYZGM-GHMZBOCLSA-N -1 0 368.419 -0.713 20 0 FBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2ccns2)C[C@H]1O ZINC001194282868 841142592 /nfs/dbraw/zinc/14/25/92/841142592.db2.gz MJUBJLYOFKEOOY-GHMZBOCLSA-N -1 0 368.419 -0.713 20 0 FBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2ccsc2)C[C@H]1O ZINC001194283813 841143070 /nfs/dbraw/zinc/14/30/70/841143070.db2.gz RXOIVJYOTSDBIR-VXGBXAGGSA-N -1 0 367.431 -0.108 20 0 FBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2cncs2)C[C@H]1O ZINC001194283912 841142408 /nfs/dbraw/zinc/14/24/08/841142408.db2.gz VFPZUVVRNXNYOI-GHMZBOCLSA-N -1 0 368.419 -0.713 20 0 FBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(CCC(F)(F)F)C[C@H]1O ZINC001194284081 841142264 /nfs/dbraw/zinc/14/22/64/841142264.db2.gz WLUFKQOANFUSOY-RKDXNWHRSA-N -1 0 367.328 -0.417 20 0 FBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2nccs2)C[C@H]1O ZINC001194284159 841142575 /nfs/dbraw/zinc/14/25/75/841142575.db2.gz ZMVZWTMOGJOJPH-NXEZZACHSA-N -1 0 368.419 -0.713 20 0 FBADRM COC(=O)[C@@]1(CNS(=O)(=O)c2ccns2)C[C@@H]1S(C)(=O)=O ZINC001194302801 841139890 /nfs/dbraw/zinc/13/98/90/841139890.db2.gz RTGFSNGZJZOYIA-OIBJUYFYSA-N -1 0 354.431 -0.602 20 0 FBADRM Cc1cc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nn1CC(F)(F)F ZINC001194315472 841139795 /nfs/dbraw/zinc/13/97/95/841139795.db2.gz HXAMOPALPGYCDN-XPUUQOCRSA-N -1 0 370.309 -0.114 20 0 FBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H](C)Cc1cn(C)nn1 ZINC001194315628 841139612 /nfs/dbraw/zinc/13/96/12/841139612.db2.gz NRAWYHJTAWDCNY-MRVPVSSYSA-N -1 0 356.408 -0.067 20 0 FBADRM COc1cc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc(OC)c1F ZINC001194317593 841141302 /nfs/dbraw/zinc/14/13/02/841141302.db2.gz MYSAMLOHYQIJDR-KGFZYKRKSA-N -1 0 362.335 -0.025 20 0 FBADRM O=C(CCOCC(F)(F)F)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001194343648 841151342 /nfs/dbraw/zinc/15/13/42/841151342.db2.gz XMYOFAVGKRVEOH-HTQZYQBOSA-N -1 0 353.301 -0.859 20 0 FBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@@H]1CN(Cc2nccs2)C[C@H]1O ZINC001194390557 841152569 /nfs/dbraw/zinc/15/25/69/841152569.db2.gz ADKHMQLBIVGDOT-NXEZZACHSA-N -1 0 366.403 -0.967 20 0 FBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@@H]1CN(Cc2cncs2)C[C@H]1O ZINC001194390981 841152516 /nfs/dbraw/zinc/15/25/16/841152516.db2.gz IVMWYNLLTSCXMK-GHMZBOCLSA-N -1 0 366.403 -0.967 20 0 FBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@@H]1CN(Cc2ccsc2)C[C@H]1O ZINC001194391201 841152110 /nfs/dbraw/zinc/15/21/10/841152110.db2.gz LNUFBPHZUAEUSK-VXGBXAGGSA-N -1 0 365.415 -0.362 20 0 FBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@@H]1CN(Cc2cscn2)C[C@H]1O ZINC001194391678 841152602 /nfs/dbraw/zinc/15/26/02/841152602.db2.gz SFAMNTGQGCRANF-GHMZBOCLSA-N -1 0 366.403 -0.967 20 0 FBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@@H]1CN(Cc2ccns2)C[C@H]1O ZINC001194391783 841152646 /nfs/dbraw/zinc/15/26/46/841152646.db2.gz VENPHQVSDCLKKD-GHMZBOCLSA-N -1 0 366.403 -0.967 20 0 FBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@@H]1CN(CCC(F)(F)F)C[C@H]1O ZINC001194391798 841152635 /nfs/dbraw/zinc/15/26/35/841152635.db2.gz VNVXXFLSRMSZCX-RKDXNWHRSA-N -1 0 365.312 -0.671 20 0 FBADRM Nc1nc2nc(CN3CCC[C@]4(CCS(=O)(=O)C4)C3)cc(=O)n2[n-]1 ZINC001194394315 841154150 /nfs/dbraw/zinc/15/41/50/841154150.db2.gz SPOYOWJQLYUKQP-AWEZNQCLSA-N -1 0 352.420 -0.600 20 0 FBADRM Nc1nc2nc(CN3CCC[C@@]4(CCS(=O)(=O)C4)C3)cc(=O)n2[n-]1 ZINC001194394317 841153600 /nfs/dbraw/zinc/15/36/00/841153600.db2.gz SPOYOWJQLYUKQP-CQSZACIVSA-N -1 0 352.420 -0.600 20 0 FBADRM COC(=O)[C@@H](Cc1cncs1)[N-]S(=O)(=O)CCS(C)(=O)=O ZINC001194400780 841153827 /nfs/dbraw/zinc/15/38/27/841153827.db2.gz KSDSGPIUGMHSPF-SECBINFHSA-N -1 0 356.447 -0.809 20 0 FBADRM COC(=O)[C@H](Cc1cncs1)[N-]S(=O)(=O)CCS(C)(=O)=O ZINC001194400783 841153470 /nfs/dbraw/zinc/15/34/70/841153470.db2.gz KSDSGPIUGMHSPF-VIFPVBQESA-N -1 0 356.447 -0.809 20 0 FBADRM CCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nnn(C)n2)cc1 ZINC001194407546 841153279 /nfs/dbraw/zinc/15/32/79/841153279.db2.gz ACFCGUQLXFYEAO-UHFFFAOYSA-N -1 0 360.421 -0.301 20 0 FBADRM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2nnn(C)n2)cc1F ZINC001194409010 841155003 /nfs/dbraw/zinc/15/50/03/841155003.db2.gz MTESFRIXOWXXJP-UHFFFAOYSA-N -1 0 364.384 -0.088 20 0 FBADRM Cn1nnc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)n1 ZINC001194410173 841155479 /nfs/dbraw/zinc/15/54/79/841155479.db2.gz UBSTYQLOJJMSHS-UHFFFAOYSA-N -1 0 358.405 -0.548 20 0 FBADRM O=C(N[C@@H]1CN(CCCCC(F)(F)F)C[C@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001194431208 841159152 /nfs/dbraw/zinc/15/91/52/841159152.db2.gz VNVPXVYUOBBGEL-HTQZYQBOSA-N -1 0 365.312 -0.210 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cc(Br)n(C)n2)C(=O)N1S(=O)(=O)[O-] ZINC001194440949 841160420 /nfs/dbraw/zinc/16/04/20/841160420.db2.gz ATAMPWOWNNICPS-FFWSUHOLSA-N -1 0 367.181 -0.686 20 0 FBADRM COCCn1cccc(C(=O)NC(=N)SCCS(=O)(=O)[O-])c1=O ZINC001194499706 841162831 /nfs/dbraw/zinc/16/28/31/841162831.db2.gz FBLRXUHUYVIGLV-UHFFFAOYSA-N -1 0 363.417 -0.220 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cccn(CC3CC3)c2=O)C(=O)N1S(=O)(=O)[O-] ZINC001194595883 841172362 /nfs/dbraw/zinc/17/23/62/841172362.db2.gz VHAGRJJOFYAUIY-KWQFWETISA-N -1 0 355.372 -0.610 20 0 FBADRM CS(=O)(=O)c1cc(C(=O)NC(=N)SCCS(=O)(=O)[O-])ccn1 ZINC001194693099 841180597 /nfs/dbraw/zinc/18/05/97/841180597.db2.gz BDGDKQKMSDXLJS-UHFFFAOYSA-N -1 0 367.430 -0.229 20 0 FBADRM N=C(NC(=O)c1cn(-c2cnccn2)cn1)SCCS(=O)(=O)[O-] ZINC001194726734 841184180 /nfs/dbraw/zinc/18/41/80/841184180.db2.gz KCUHMFBTNHZRDY-UHFFFAOYSA-N -1 0 356.389 -0.052 20 0 FBADRM Cc1csc(CCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)n1 ZINC001194752818 841182448 /nfs/dbraw/zinc/18/24/48/841182448.db2.gz JKPAHOPBNFJBQE-NXEZZACHSA-N -1 0 352.420 -0.431 20 0 FBADRM O=C(CCC(F)F)N[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1O ZINC001194760739 841187531 /nfs/dbraw/zinc/18/75/31/841187531.db2.gz VZZFUXIMLXWVQC-GHMZBOCLSA-N -1 0 355.345 -0.271 20 0 FBADRM CC(C)(C)n1cc(C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)cn1 ZINC001194792952 841187480 /nfs/dbraw/zinc/18/74/80/841187480.db2.gz MYCJMMWDDBMNKB-UHFFFAOYSA-N -1 0 371.379 -0.651 20 0 FBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NS(=O)(=O)CC1(OC)CCOCC1 ZINC001194850467 841191495 /nfs/dbraw/zinc/19/14/95/841191495.db2.gz OUEZNQNMFFTLNZ-LBPRGKRZSA-N -1 0 360.436 -0.818 20 0 FBADRM CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CO[N-]C2=O)c(N2CCCC2)c1 ZINC001194859100 841191417 /nfs/dbraw/zinc/19/14/17/841191417.db2.gz MNBFLTSKMKEBOI-GFCCVEGCSA-N -1 0 353.400 -0.150 20 0 FBADRM Cc1cc(Cl)c(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cn1 ZINC001194887721 841198519 /nfs/dbraw/zinc/19/85/19/841198519.db2.gz FJBBPUNDYOOVQP-UHFFFAOYSA-N -1 0 374.766 -0.246 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)[N-][C@H](CCO)C(F)(F)F ZINC001194906767 841196638 /nfs/dbraw/zinc/19/66/38/841196638.db2.gz NSQPMALNWIFSOL-MRVPVSSYSA-N -1 0 356.388 -0.499 20 0 FBADRM CN(C)S(=O)(=O)CCCS(=O)(=O)[N-][C@@H](CCO)C(F)(F)F ZINC001194906772 841196248 /nfs/dbraw/zinc/19/62/48/841196248.db2.gz NSQPMALNWIFSOL-QMMMGPOBSA-N -1 0 356.388 -0.499 20 0 FBADRM Cn1ccn2c(CCNS(=O)(=O)c3c[nH]nc3Cl)nnc2c1=O ZINC001194939940 841200636 /nfs/dbraw/zinc/20/06/36/841200636.db2.gz HOPDZVZUQDYVGX-UHFFFAOYSA-N -1 0 357.783 -0.675 20 0 FBADRM Cn1ccn2c(CCNS(=O)(=O)N=S3(=O)CCCC3)nnc2c1=O ZINC001194940260 841200508 /nfs/dbraw/zinc/20/05/08/841200508.db2.gz LKJUSMWBQLAAJD-UHFFFAOYSA-N -1 0 374.448 -0.933 20 0 FBADRM Cc1cc(=O)[nH]c(N2CCN(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2)n1 ZINC001194940734 841200327 /nfs/dbraw/zinc/20/03/27/841200327.db2.gz RCMLMLGZQGBSNV-GFCCVEGCSA-N -1 0 369.447 -0.148 20 0 FBADRM Cc1cc(=O)[nH]c(N2CCN(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC001194940735 841200302 /nfs/dbraw/zinc/20/03/02/841200302.db2.gz RCMLMLGZQGBSNV-LBPRGKRZSA-N -1 0 369.447 -0.148 20 0 FBADRM COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2CCN(c3nc(C)cc(=O)[nH]3)CC2)C1 ZINC001194940877 841200427 /nfs/dbraw/zinc/20/04/27/841200427.db2.gz URBFQTBMDBLBIM-TXEJJXNPSA-N -1 0 370.431 -0.106 20 0 FBADRM COC(=O)c1cc(OC)c(S(=O)(=O)NCCN2CCNC2=O)s1 ZINC001194941001 841200404 /nfs/dbraw/zinc/20/04/04/841200404.db2.gz WVPNMCFFLSWUJU-UHFFFAOYSA-N -1 0 363.417 -0.153 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(Br)cc1C(=O)NC[C@@H](O)CO ZINC001194947524 841201223 /nfs/dbraw/zinc/20/12/23/841201223.db2.gz RSCFNGGPENDGTE-MRVPVSSYSA-N -1 0 367.221 -0.096 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1c[nH]nc1Cl ZINC001194961323 841202315 /nfs/dbraw/zinc/20/23/15/841202315.db2.gz GSHYLHMYKNNPHY-VIFPVBQESA-N -1 0 354.754 -0.282 20 0 FBADRM CC(C)(COCC(F)F)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001194975482 841204575 /nfs/dbraw/zinc/20/45/75/841204575.db2.gz HCLFFOHVWNPDGJ-RKDXNWHRSA-N -1 0 363.365 -0.521 20 0 FBADRM C[C@H]1[C@H](NS(=O)(=O)c2cccc3nccnc32)C(=O)N1S(=O)(=O)[O-] ZINC001194995878 841209228 /nfs/dbraw/zinc/20/92/28/841209228.db2.gz JQEQAORKIINMEQ-XVKPBYJWSA-N -1 0 372.384 -0.690 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ncnc(Cl)c2Cl)C(=O)N1S(=O)(=O)[O-] ZINC001195031621 841212643 /nfs/dbraw/zinc/21/26/43/841212643.db2.gz NBGMESGKIIDYTD-UCORVYFPSA-N -1 0 355.159 -0.085 20 0 FBADRM CCO[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CCCC1 ZINC001195037278 841213575 /nfs/dbraw/zinc/21/35/75/841213575.db2.gz HGXGCHHONZWKPO-BZPMIXESSA-N -1 0 353.423 -0.233 20 0 FBADRM CCO[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CCCC1 ZINC001195037279 841212792 /nfs/dbraw/zinc/21/27/92/841212792.db2.gz HGXGCHHONZWKPO-YRGRVCCFSA-N -1 0 353.423 -0.233 20 0 FBADRM CCOC(=O)c1ccc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1 ZINC001195106153 841224061 /nfs/dbraw/zinc/22/40/61/841224061.db2.gz PERCRYJAVHLIGN-KWQFWETISA-N -1 0 356.356 -0.005 20 0 FBADRM NC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC001195217531 841231684 /nfs/dbraw/zinc/23/16/84/841231684.db2.gz GTKWXBVVAJFHFO-UHFFFAOYSA-N -1 0 363.342 -0.545 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NCCN2C(=O)C=CC2=O)c(F)cc1F ZINC001195245052 841232806 /nfs/dbraw/zinc/23/28/06/841232806.db2.gz BKYDDMAWOSBJRZ-UHFFFAOYSA-N -1 0 360.294 -0.134 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(F)cc1F ZINC001195245077 841232709 /nfs/dbraw/zinc/23/27/09/841232709.db2.gz BVAKQVJYDLRWOQ-YYHYXLOLSA-N -1 0 367.326 -0.956 20 0 FBADRM COC(=O)C1(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)COC1 ZINC001195246392 841232394 /nfs/dbraw/zinc/23/23/94/841232394.db2.gz GKASTUUMLMSVEY-UHFFFAOYSA-N -1 0 351.283 -0.117 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NCCOCCOCCO)c(F)cc1F ZINC001195247109 841232359 /nfs/dbraw/zinc/23/23/59/841232359.db2.gz NQTYMYAFTGLEKK-UHFFFAOYSA-N -1 0 369.342 -0.033 20 0 FBADRM CS(=O)(=O)N1CC(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001195247844 841232908 /nfs/dbraw/zinc/23/29/08/841232908.db2.gz YIHVOTQGXXGWTN-UHFFFAOYSA-N -1 0 370.355 -0.415 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NCC(=O)N2CCOCC2)c(F)cc1F ZINC001195248156 841232437 /nfs/dbraw/zinc/23/24/37/841232437.db2.gz CXERCCKYKLPQPA-UHFFFAOYSA-N -1 0 364.326 -0.200 20 0 FBADRM COC(=O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)[C@@H](C)O ZINC001195249523 841232262 /nfs/dbraw/zinc/23/22/62/841232262.db2.gz OSWMPCGLZYISRD-FWOIEVBISA-N -1 0 353.299 -0.136 20 0 FBADRM CCOC(=O)[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195249668 841232949 /nfs/dbraw/zinc/23/29/49/841232949.db2.gz RFGNZEQLUXRGJZ-VIFPVBQESA-N -1 0 353.299 -0.135 20 0 FBADRM CN(C)S(=O)(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195254067 841232512 /nfs/dbraw/zinc/23/25/12/841232512.db2.gz GJFMBKSYWQLNKM-UHFFFAOYSA-N -1 0 372.371 -0.167 20 0 FBADRM NC(=O)C1(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCOCC1 ZINC001195254177 841232418 /nfs/dbraw/zinc/23/24/18/841232418.db2.gz HWGJSJJGEAYLFE-UHFFFAOYSA-N -1 0 364.326 -0.024 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CNC(=O)CO2)c(F)cc1F ZINC001195254597 841232489 /nfs/dbraw/zinc/23/24/89/841232489.db2.gz NMFVRCTTYJYONE-LURJTMIESA-N -1 0 350.299 -0.544 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CNC(=O)CO2)c(F)cc1F ZINC001195254600 841232307 /nfs/dbraw/zinc/23/23/07/841232307.db2.gz NMFVRCTTYJYONE-ZCFIWIBFSA-N -1 0 350.299 -0.544 20 0 FBADRM COC(=O)CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195257716 841233943 /nfs/dbraw/zinc/23/39/43/841233943.db2.gz HBSGLYBUEGMZCB-UHFFFAOYSA-N -1 0 366.298 -0.770 20 0 FBADRM COC(=O)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)[C@@H](C)O ZINC001195258540 841234067 /nfs/dbraw/zinc/23/40/67/841234067.db2.gz OSWMPCGLZYISRD-GPXNAGAYSA-N -1 0 353.299 -0.136 20 0 FBADRM COC(=O)[C@@H](CC(N)=O)NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195259953 841233628 /nfs/dbraw/zinc/23/36/28/841233628.db2.gz OPMIOGOGTJIBDG-MRVPVSSYSA-N -1 0 366.298 -0.642 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCN2C2CCOCC2)on1 ZINC001195286103 841236229 /nfs/dbraw/zinc/23/62/29/841236229.db2.gz IWHQKXGMNIVKSU-LLVKDONJSA-N -1 0 359.404 -0.007 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCN2C2CCOCC2)on1 ZINC001195286104 841236600 /nfs/dbraw/zinc/23/66/00/841236600.db2.gz IWHQKXGMNIVKSU-NSHDSACASA-N -1 0 359.404 -0.007 20 0 FBADRM C[C@@H](O)[C@@H](CO)NC(=O)c1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F ZINC001195334457 841241466 /nfs/dbraw/zinc/24/14/66/841241466.db2.gz VTPPLWGXKKFRSF-QWWZWVQMSA-N -1 0 361.269 -0.039 20 0 FBADRM Nc1c(=O)c(=O)c1NC(=O)c1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F ZINC001195334629 841240740 /nfs/dbraw/zinc/24/07/40/841240740.db2.gz ZGSQRISBXKBRRW-UHFFFAOYSA-N -1 0 368.220 -0.080 20 0 FBADRM CN(C[C@H](O)CO)C(=O)c1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F ZINC001195342029 841240093 /nfs/dbraw/zinc/24/00/93/841240093.db2.gz LIHOGEGZADMZSK-BYPYZUCNSA-N -1 0 361.269 -0.085 20 0 FBADRM CN(C[C@@H](O)CO)C(=O)c1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F ZINC001195342058 841239573 /nfs/dbraw/zinc/23/95/73/841239573.db2.gz LIHOGEGZADMZSK-SCSAIBSYSA-N -1 0 361.269 -0.085 20 0 FBADRM NC(=O)[C@H](CO)NC(=O)c1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F ZINC001195360396 841240236 /nfs/dbraw/zinc/24/02/36/841240236.db2.gz IYHVCEZVXVKUJM-REOHCLBHSA-N -1 0 360.241 -0.934 20 0 FBADRM NC(=O)[C@@H](CO)NC(=O)c1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F ZINC001195360404 841239932 /nfs/dbraw/zinc/23/99/32/841239932.db2.gz IYHVCEZVXVKUJM-UWTATZPHSA-N -1 0 360.241 -0.934 20 0 FBADRM CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN(C)Cc1n[n-]c(=O)o1 ZINC001195385539 841243510 /nfs/dbraw/zinc/24/35/10/841243510.db2.gz UMCDYZHDQKRCTE-UHFFFAOYSA-N -1 0 353.301 -0.314 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)NCC[P@@](=O)([O-])O)c(C)cc1O ZINC001195392898 841244853 /nfs/dbraw/zinc/24/48/53/841244853.db2.gz NQKYIYFKOUUSFN-UHFFFAOYSA-N -1 0 353.289 -0.057 20 0 FBADRM COc1ccc(C(=O)N=c2nn[n-]n2C)nc1I ZINC001195412530 841242829 /nfs/dbraw/zinc/24/28/29/841242829.db2.gz DBAHXMLVUGHXJQ-UHFFFAOYSA-N -1 0 360.115 -0.108 20 0 FBADRM COc1ccc(C(=O)N[C@@H]2CO[N-]C2=O)nc1I ZINC001195422588 841247415 /nfs/dbraw/zinc/24/74/15/841247415.db2.gz XVZUCYNIKKAOFN-ZCFIWIBFSA-N -1 0 363.111 -0.145 20 0 FBADRM CCOC([O-])=NC(=S)N=c1cc[nH]c2c(N(CCO)CCO)cnn21 ZINC001195460559 841247662 /nfs/dbraw/zinc/24/76/62/841247662.db2.gz AFLLKEBRRQBZDP-UHFFFAOYSA-N -1 0 368.419 -0.037 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCC[C@H]3C3OCCO3)cc-2c(=O)[n-]1 ZINC001195512861 841252577 /nfs/dbraw/zinc/25/25/77/841252577.db2.gz UAUZMYSWBWRHTD-JTQLQIEISA-N -1 0 368.371 -0.038 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCC[C@@H]3C3OCCO3)cc-2c(=O)[n-]1 ZINC001195512862 841251988 /nfs/dbraw/zinc/25/19/88/841251988.db2.gz UAUZMYSWBWRHTD-SNVBAGLBSA-N -1 0 368.371 -0.038 20 0 FBADRM CCOC(=O)CNC(=S)N1CCN(CCCCS(=O)(=O)[O-])CC1 ZINC001195546777 841256722 /nfs/dbraw/zinc/25/67/22/841256722.db2.gz CJXOGBCAIDJSFV-UHFFFAOYSA-N -1 0 367.493 -0.290 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cccnc1C1CC1 ZINC001195553191 841252087 /nfs/dbraw/zinc/25/20/87/841252087.db2.gz HBPVHZRAEOGGOK-UHFFFAOYSA-N -1 0 366.359 -0.331 20 0 FBADRM CCOC(=O)CNC(=S)Nc1ccc(S(=O)(=O)[N-]C(N)=O)cc1 ZINC001195560020 841263616 /nfs/dbraw/zinc/26/36/16/841263616.db2.gz VGRRTNYLYQORPB-UHFFFAOYSA-N -1 0 360.417 -0.107 20 0 FBADRM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NCC(=O)[N-]OC)ccc2O1 ZINC001195564074 841263160 /nfs/dbraw/zinc/26/31/60/841263160.db2.gz AXJDFPLCSCNLQN-GFCCVEGCSA-N -1 0 358.372 -0.491 20 0 FBADRM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NCC(=O)[N-]OC)ccc2O1 ZINC001195564075 841263130 /nfs/dbraw/zinc/26/31/30/841263130.db2.gz AXJDFPLCSCNLQN-LBPRGKRZSA-N -1 0 358.372 -0.491 20 0 FBADRM CO[N-]C(=O)CNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC001195564581 841263742 /nfs/dbraw/zinc/26/37/42/841263742.db2.gz CYPGERGTDCMSKV-UHFFFAOYSA-N -1 0 369.321 -0.065 20 0 FBADRM CCCS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)[N-]OC)cc1 ZINC001195565498 841263797 /nfs/dbraw/zinc/26/37/97/841263797.db2.gz JTFRKVXNJYCQBX-UHFFFAOYSA-N -1 0 350.418 -0.174 20 0 FBADRM CO[N-]C(=O)CNS(=O)(=O)c1cc2c(cc1OC)CCCNC2=O ZINC001195566130 841263965 /nfs/dbraw/zinc/26/39/65/841263965.db2.gz OZEVGQAKPDTBNO-UHFFFAOYSA-N -1 0 357.388 -0.673 20 0 FBADRM CO[N-]C(=O)CNS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC001195566808 841263543 /nfs/dbraw/zinc/26/35/43/841263543.db2.gz QTGWKWWBINKPAE-UHFFFAOYSA-N -1 0 372.325 -0.727 20 0 FBADRM C[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)N(C)CC(F)(F)F ZINC001195581382 841259666 /nfs/dbraw/zinc/25/96/66/841259666.db2.gz RCEKRGJABQBJPH-DJLDLDEBSA-N -1 0 366.344 -0.946 20 0 FBADRM C[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)N(C)CC(F)(F)F ZINC001195581383 841259560 /nfs/dbraw/zinc/25/95/60/841259560.db2.gz RCEKRGJABQBJPH-IWSPIJDZSA-N -1 0 366.344 -0.946 20 0 FBADRM CCOC(=O)c1ccncc1S(=O)(=O)[N-]c1c(C(N)=O)cnn1C ZINC001195597282 841262267 /nfs/dbraw/zinc/26/22/67/841262267.db2.gz ASVWUVPSILWFND-UHFFFAOYSA-N -1 0 353.360 -0.109 20 0 FBADRM CCOC(=O)c1ccncc1S(=O)(=O)[N-]c1cnn(C)c1C(N)=O ZINC001195599173 841262256 /nfs/dbraw/zinc/26/22/56/841262256.db2.gz YKXWOPUHWSCZGS-UHFFFAOYSA-N -1 0 353.360 -0.109 20 0 FBADRM CCOC(=O)c1ccncc1S(=O)(=O)[N-]c1nccnc1C(N)=O ZINC001195601000 841262278 /nfs/dbraw/zinc/26/22/78/841262278.db2.gz FVFGVTQOEBKLOV-UHFFFAOYSA-N -1 0 351.344 -0.052 20 0 FBADRM CCOC(=O)c1ccncc1S(=O)(=O)[N-]c1cnc(C(N)=O)cn1 ZINC001195601324 841261504 /nfs/dbraw/zinc/26/15/04/841261504.db2.gz LVGPFABJBQKWRQ-UHFFFAOYSA-N -1 0 351.344 -0.052 20 0 FBADRM CCOC(=O)c1ccncc1S(=O)(=O)[N-]c1ccnc(C(N)=O)c1 ZINC001195602475 841263836 /nfs/dbraw/zinc/26/38/36/841263836.db2.gz XOLOZCDWTKRQEI-UHFFFAOYSA-N -1 0 350.356 -0.025 20 0 FBADRM CCOC(=O)c1ccncc1S(=O)(=O)[N-]c1cnc(C(N)=O)nc1 ZINC001195602564 841263431 /nfs/dbraw/zinc/26/34/31/841263431.db2.gz ZOBXMUHNLVYPAO-UHFFFAOYSA-N -1 0 351.344 -0.052 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccc(C2CC2)cn1 ZINC001195607220 841267050 /nfs/dbraw/zinc/26/70/50/841267050.db2.gz MVLUUBPVTURXIU-UHFFFAOYSA-N -1 0 366.359 -0.331 20 0 FBADRM Cc1c(Br)n[nH]c1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001195607470 841268086 /nfs/dbraw/zinc/26/80/86/841268086.db2.gz MKLBCQWMWIBGCR-NJGYIYPDSA-N -1 0 367.181 -0.387 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cc(F)c(CO)c(F)c2)C(=O)N1S(=O)(=O)[O-] ZINC001195631402 841265735 /nfs/dbraw/zinc/26/57/35/841265735.db2.gz OBJGOQOCXORNQR-RRAGMBSWSA-N -1 0 350.299 -0.411 20 0 FBADRM CCOC(=O)c1ccncc1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)OC ZINC001195657517 841272646 /nfs/dbraw/zinc/27/26/46/841272646.db2.gz RQDAEPNADHEJQR-JTQLQIEISA-N -1 0 374.371 -0.057 20 0 FBADRM CCOC(=O)N1CCN(S(=O)(=O)[N-]CC(F)(F)C(=O)OC)CC1 ZINC001195670200 841268789 /nfs/dbraw/zinc/26/87/89/841268789.db2.gz SZLGEOYFFISXLQ-UHFFFAOYSA-N -1 0 359.351 -0.597 20 0 FBADRM Cn1cc([C@]2(CNS(=O)(=O)CCS(C)(=O)=O)CCCO2)cn1 ZINC001195718794 841276154 /nfs/dbraw/zinc/27/61/54/841276154.db2.gz DWRDIOGKTXUEGU-GFCCVEGCSA-N -1 0 351.450 -0.610 20 0 FBADRM Cn1cc([C@@]2(CNS(=O)(=O)CCS(C)(=O)=O)CCCO2)cn1 ZINC001195718795 841276894 /nfs/dbraw/zinc/27/68/94/841276894.db2.gz DWRDIOGKTXUEGU-LBPRGKRZSA-N -1 0 351.450 -0.610 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)NCc1ncc(Br)cn1 ZINC001195719018 841276174 /nfs/dbraw/zinc/27/61/74/841276174.db2.gz IYQXBQQODJAAIJ-UHFFFAOYSA-N -1 0 358.239 -0.297 20 0 FBADRM CN(C(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001195734427 841276671 /nfs/dbraw/zinc/27/66/71/841276671.db2.gz IDVGHUKFJWCNLC-WDEREUQCSA-N -1 0 355.420 -0.411 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cccnc2OC(F)F)C(=O)N1S(=O)(=O)[O-] ZINC001195736817 841277953 /nfs/dbraw/zinc/27/79/53/841277953.db2.gz JZNTWMOTDWTMNM-FSPLSTOPSA-N -1 0 351.287 -0.185 20 0 FBADRM O=c1ccn(CCCNS(=O)(=O)N=S2(=O)CCCC2)c(=O)[nH]1 ZINC001195787682 841282174 /nfs/dbraw/zinc/28/21/74/841282174.db2.gz QAJSHFSEGHNJDE-UHFFFAOYSA-N -1 0 350.422 -0.565 20 0 FBADRM COC(=O)[C@@H](NS(=O)(=O)CCS(=O)(=O)N(C)C)c1ccccc1 ZINC001195787913 841282846 /nfs/dbraw/zinc/28/28/46/841282846.db2.gz SHFJTUDMLKSKPD-LBPRGKRZSA-N -1 0 364.445 -0.289 20 0 FBADRM COc1cnc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])o1 ZINC001195804181 841283490 /nfs/dbraw/zinc/28/34/90/841283490.db2.gz RUTVCLBSYUUVEC-VIFPVBQESA-N -1 0 351.319 -0.662 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]c1cccc(S(=O)(=O)CCO)c1 ZINC001195930539 841294448 /nfs/dbraw/zinc/29/44/48/841294448.db2.gz HSUKDUWZTQWWGH-UHFFFAOYSA-N -1 0 351.402 -0.243 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-][C@@H](CNC(=O)OC(C)(C)C)C(=O)OC ZINC001195931412 841295404 /nfs/dbraw/zinc/29/54/04/841295404.db2.gz NIYSHPXQKLYNPC-VIFPVBQESA-N -1 0 368.408 -0.465 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-][C@@H](CC(=O)OC(C)(C)C)C(=O)OC ZINC001195931573 841294985 /nfs/dbraw/zinc/29/49/85/841294985.db2.gz YVCSYJYEPANZSL-VIFPVBQESA-N -1 0 353.393 -0.258 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]c1c(C(N)=O)nsc1C(=O)OCC ZINC001195934055 841296553 /nfs/dbraw/zinc/29/65/53/841296553.db2.gz LODPSKKCNMCSLV-UHFFFAOYSA-N -1 0 365.389 -0.277 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]c1ccc(C(=O)N2CCOCC2)cn1 ZINC001195934122 841295730 /nfs/dbraw/zinc/29/57/30/841295730.db2.gz NCRBYYFPQDERIN-UHFFFAOYSA-N -1 0 357.388 -0.141 20 0 FBADRM CCOC(=O)Cn1cnc2c1ncnc2[N-]S(=O)(=O)CC(=O)OCC ZINC001195938900 841293199 /nfs/dbraw/zinc/29/31/99/841293199.db2.gz GXUAJKRVRSQZCV-UHFFFAOYSA-N -1 0 371.375 -0.306 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]c1c(C(N)=O)cnn1C1CCOCC1 ZINC001195939177 841293313 /nfs/dbraw/zinc/29/33/13/841293313.db2.gz PBVXVKDOTLCIMI-UHFFFAOYSA-N -1 0 360.392 -0.362 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]c1ncc(Br)nc1C(N)=O ZINC001195939286 841293238 /nfs/dbraw/zinc/29/32/38/841293238.db2.gz PUHMYQCTJPYKRS-UHFFFAOYSA-N -1 0 367.181 -0.357 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]c1ncc(C(=O)OC)cc1C(=O)OC ZINC001195942573 841293561 /nfs/dbraw/zinc/29/35/61/841293561.db2.gz XUSRNCVBGGVXLP-UHFFFAOYSA-N -1 0 360.344 -0.040 20 0 FBADRM CCOC(=O)CS(=O)(=O)N1CCN(CCCCS(=O)(=O)[O-])CC1 ZINC001195962514 841296378 /nfs/dbraw/zinc/29/63/78/841296378.db2.gz XOROXFVVQFDZBJ-UHFFFAOYSA-N -1 0 372.465 -0.835 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-][C@@H](CC(=O)OC)C(=O)OC(C)(C)C ZINC001195992695 841305347 /nfs/dbraw/zinc/30/53/47/841305347.db2.gz GCFUAWYTJPTHSF-VIFPVBQESA-N -1 0 353.393 -0.258 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-][C@H](C(=O)OCc1ccccc1)[C@@H](C)O ZINC001195993041 841305415 /nfs/dbraw/zinc/30/54/15/841305415.db2.gz JNQCUMKUXMFKNG-RISCZKNCSA-N -1 0 359.400 -0.038 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]c1cc(=O)n(C)c(=O)n1-c1ccccc1 ZINC001195993857 841305594 /nfs/dbraw/zinc/30/55/94/841305594.db2.gz WQJLNEAXHQVCLZ-UHFFFAOYSA-N -1 0 367.383 -0.159 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-][C@@H](C(=O)OCc1ccccc1)[C@@H](C)O ZINC001196000904 841302145 /nfs/dbraw/zinc/30/21/45/841302145.db2.gz JNQCUMKUXMFKNG-BXUZGUMPSA-N -1 0 359.400 -0.038 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cc(-c3cccn3C)on2)C(=O)N1S(=O)(=O)[O-] ZINC001196005004 841303228 /nfs/dbraw/zinc/30/32/28/841303228.db2.gz CRLZIUAVDGUPKO-CPCISQLKSA-N -1 0 354.344 -0.188 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]c1cnn(C)c(=O)c1Br ZINC001196008490 841303193 /nfs/dbraw/zinc/30/31/93/841303193.db2.gz NIZUTLZMOKHXQT-UHFFFAOYSA-N -1 0 354.182 -0.152 20 0 FBADRM NC(=O)[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC001196054715 841306818 /nfs/dbraw/zinc/30/68/18/841306818.db2.gz BLMCQEJJELIZHQ-SSDOTTSWSA-N -1 0 367.177 -0.728 20 0 FBADRM NC(=O)[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC001196054716 841307721 /nfs/dbraw/zinc/30/77/21/841307721.db2.gz BLMCQEJJELIZHQ-ZETCQYMHSA-N -1 0 367.177 -0.728 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cccnc1CS(C)(=O)=O ZINC001196058766 841306783 /nfs/dbraw/zinc/30/67/83/841306783.db2.gz JFAZVOYBKITUQC-JTQLQIEISA-N -1 0 358.372 -0.238 20 0 FBADRM CS(=O)(=O)Cc1ncccc1C(=O)Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21 ZINC001196061668 841307063 /nfs/dbraw/zinc/30/70/63/841307063.db2.gz JMXVPFNTAYMUPB-UHFFFAOYSA-N -1 0 364.343 -0.092 20 0 FBADRM COC(=O)c1cc(C(=O)N[C@@H]2CO[N-]C2=O)cc(N(C)S(C)(=O)=O)c1 ZINC001196110438 841312633 /nfs/dbraw/zinc/31/26/33/841312633.db2.gz DTCDNVNENLREQK-LLVKDONJSA-N -1 0 371.371 -0.971 20 0 FBADRM COC(=O)c1cc(C(=O)NCc2nnn[n-]2)cc(N(C)S(C)(=O)=O)c1 ZINC001196110873 841313789 /nfs/dbraw/zinc/31/37/89/841313789.db2.gz GYSQKORCJKXDLH-UHFFFAOYSA-N -1 0 368.375 -0.688 20 0 FBADRM CCc1cnccc1C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001196133204 841316274 /nfs/dbraw/zinc/31/62/74/841316274.db2.gz YNBXQFDLSPFJQW-UHFFFAOYSA-N -1 0 354.348 -0.646 20 0 FBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)c2cncc(=O)[nH]2)cc1 ZINC001196165291 841322362 /nfs/dbraw/zinc/32/23/62/841322362.db2.gz ZRTURJYIWMVLMU-UHFFFAOYSA-N -1 0 350.356 -0.360 20 0 FBADRM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(=O)cc(C(N)=O)o2)c1 ZINC001196201007 841327566 /nfs/dbraw/zinc/32/75/66/841327566.db2.gz SAGFYACTKZJCQL-UHFFFAOYSA-N -1 0 367.339 -0.395 20 0 FBADRM NC(=O)c1cc(=O)cc(C(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)o1 ZINC001196201373 841327538 /nfs/dbraw/zinc/32/75/38/841327538.db2.gz WCRKZPKRCDOFCE-UHFFFAOYSA-N -1 0 363.307 -0.577 20 0 FBADRM CCn1cc(C[N-]S(=O)(=O)N=S2(=O)CCCC2)c(=O)[nH]c1=O ZINC001196211921 841330340 /nfs/dbraw/zinc/33/03/40/841330340.db2.gz UQQMELJVENIVQG-UHFFFAOYSA-N -1 0 350.422 -0.435 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cc(-c3ccncc3)on2)C(=O)N1S(=O)(=O)[O-] ZINC001196224202 841331554 /nfs/dbraw/zinc/33/15/54/841331554.db2.gz VPXUQECCOIVATA-CPCISQLKSA-N -1 0 352.328 -0.132 20 0 FBADRM COC(=O)[C@@H](CC1OCCO1)[N-]S(=O)(=O)CC1(OC)CCOCC1 ZINC001196252593 841332860 /nfs/dbraw/zinc/33/28/60/841332860.db2.gz FYIPHBNNXSBKKO-LLVKDONJSA-N -1 0 367.420 -0.594 20 0 FBADRM COC(=O)[C@H](CC1OCCO1)[N-]S(=O)(=O)CC1(OC)CCOCC1 ZINC001196252597 841332659 /nfs/dbraw/zinc/33/26/59/841332659.db2.gz FYIPHBNNXSBKKO-NSHDSACASA-N -1 0 367.420 -0.594 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-][C@H](CC1OCCO1)C(=O)OC ZINC001196252835 841332723 /nfs/dbraw/zinc/33/27/23/841332723.db2.gz IMXYOUUINRGYPC-GHMZBOCLSA-N -1 0 367.420 -0.058 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-][C@H](CC1OCCO1)C(=O)OC ZINC001196252836 841332698 /nfs/dbraw/zinc/33/26/98/841332698.db2.gz IMXYOUUINRGYPC-MNOVXSKESA-N -1 0 367.420 -0.058 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-][C@@H](CC1OCCO1)C(=O)OC ZINC001196252837 841333124 /nfs/dbraw/zinc/33/31/24/841333124.db2.gz IMXYOUUINRGYPC-QWRGUYRKSA-N -1 0 367.420 -0.058 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-][C@@H](CC1OCCO1)C(=O)OC ZINC001196252838 841333430 /nfs/dbraw/zinc/33/34/30/841333430.db2.gz IMXYOUUINRGYPC-WDEREUQCSA-N -1 0 367.420 -0.058 20 0 FBADRM C[C@H]1[C@H](NS(=O)(=O)c2ccc(Cl)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001196253215 841333456 /nfs/dbraw/zinc/33/34/56/841333456.db2.gz NVJYSZUHGHGFRS-XNCJUZBTSA-N -1 0 355.781 -0.585 20 0 FBADRM CC(C)(C)n1ccc(C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)n1 ZINC001196315482 841338330 /nfs/dbraw/zinc/33/83/30/841338330.db2.gz FFTFNRCSHHJSEM-UHFFFAOYSA-N -1 0 371.379 -0.651 20 0 FBADRM NC(=O)c1nc(C[N-]S(=O)(=O)c2cccc(Br)n2)no1 ZINC001196327831 841344001 /nfs/dbraw/zinc/34/40/01/841344001.db2.gz PJZWUUQTIIPBQL-UHFFFAOYSA-N -1 0 362.165 -0.196 20 0 FBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)c2snnc2CO)cc1 ZINC001196361230 841351319 /nfs/dbraw/zinc/35/13/19/841351319.db2.gz BYWBTEAVZWIFPV-UHFFFAOYSA-N -1 0 370.412 -0.099 20 0 FBADRM O=C([N-]CCNC(=O)c1snnc1CO)C(F)(F)Br ZINC001196367799 841347696 /nfs/dbraw/zinc/34/76/96/841347696.db2.gz DNGYUFCLZHWMMY-UHFFFAOYSA-N -1 0 359.152 -0.136 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1csc(CO)n1 ZINC001196384179 841348767 /nfs/dbraw/zinc/34/87/67/841348767.db2.gz MKWAPMBMITVHJA-VIFPVBQESA-N -1 0 367.387 -0.710 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c(F)c1 ZINC001196394520 841350312 /nfs/dbraw/zinc/35/03/12/841350312.db2.gz HNSQVGLOUNDNCW-XVKPBYJWSA-N -1 0 352.365 -0.185 20 0 FBADRM C[C@@H]1O[C@@H](OCCNC(=O)c2cc(Cl)ncc2[O-])[C@@H](O)[C@H](O)[C@@H]1O ZINC001196405032 841353414 /nfs/dbraw/zinc/35/34/14/841353414.db2.gz KMCRLCCXXMBZAJ-AWGVJZLLSA-N -1 0 362.766 -0.986 20 0 FBADRM CS(=O)(=O)c1cccc(C(=O)NC(=N)SCCS(=O)(=O)[O-])n1 ZINC001196415786 841354860 /nfs/dbraw/zinc/35/48/60/841354860.db2.gz IGKVBYXUQQRJST-UHFFFAOYSA-N -1 0 367.430 -0.229 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1nc(Br)c[nH]c1=O ZINC001196503049 841361098 /nfs/dbraw/zinc/36/10/98/841361098.db2.gz AFNLWZGIMJVAEN-YFKPBYRVSA-N -1 0 362.136 -0.331 20 0 FBADRM Nc1c2c(=O)nccc-2[n-]n1C(=O)c1nc(Br)c[nH]c1=O ZINC001196505998 841362552 /nfs/dbraw/zinc/36/25/52/841362552.db2.gz BQPFVBHWKKUVTD-UHFFFAOYSA-N -1 0 351.120 -0.207 20 0 FBADRM Cc1nc(C(=O)Nc2ccc(CC(=O)[N-]S(C)(=O)=O)cc2)c[nH]c1=O ZINC001196521525 841363633 /nfs/dbraw/zinc/36/36/33/841363633.db2.gz NMGVPLBCFCNRQG-UHFFFAOYSA-N -1 0 364.383 -0.051 20 0 FBADRM CC[C@@H](OC1CCCC1)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001196544281 841366972 /nfs/dbraw/zinc/36/69/72/841366972.db2.gz ZCPISMSUKHPRSJ-JHJVBQTASA-N -1 0 353.423 -0.091 20 0 FBADRM CC[C@H](OC1CCCC1)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001196544282 841366517 /nfs/dbraw/zinc/36/65/17/841366517.db2.gz ZCPISMSUKHPRSJ-UPJWGTAASA-N -1 0 353.423 -0.091 20 0 FBADRM Cc1nc(CCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)cs1 ZINC001196617408 841377602 /nfs/dbraw/zinc/37/76/02/841377602.db2.gz WIOLOLBPLJKQHS-GHMZBOCLSA-N -1 0 352.420 -0.431 20 0 FBADRM CS(=O)(=O)c1ccc(C(=O)NC(=N)SCCS(=O)(=O)[O-])nc1 ZINC001196718538 841385325 /nfs/dbraw/zinc/38/53/25/841385325.db2.gz DRUYGLROTYEQTP-UHFFFAOYSA-N -1 0 367.430 -0.229 20 0 FBADRM CS(=O)(=O)[N-]c1ccsc1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001196728163 841384794 /nfs/dbraw/zinc/38/47/94/841384794.db2.gz CQCSPNJVCUICCK-UHFFFAOYSA-N -1 0 367.474 -0.163 20 0 FBADRM CS(=O)(=O)[N-]c1ccsc1C(=O)N1CC(NS(C)(=O)=O)C1 ZINC001196728575 841383375 /nfs/dbraw/zinc/38/33/75/841383375.db2.gz NFIXVQOVAVTVTK-UHFFFAOYSA-N -1 0 353.447 -0.507 20 0 FBADRM CN1CCN(C2CN(C(=O)c3sccc3[N-]S(C)(=O)=O)C2)CC1=O ZINC001196728643 841383434 /nfs/dbraw/zinc/38/34/34/841383434.db2.gz ODCPRPITTXVTLE-UHFFFAOYSA-N -1 0 372.472 -0.282 20 0 FBADRM CS(=O)(=O)[N-]c1ccsc1C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001196729224 841387402 /nfs/dbraw/zinc/38/74/02/841387402.db2.gz UANGNHGKDLGZGA-UHFFFAOYSA-N -1 0 358.445 -0.624 20 0 FBADRM CS(=O)(=O)[N-]c1ccsc1C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001196730694 841387312 /nfs/dbraw/zinc/38/73/12/841387312.db2.gz BTGLZGMYTHFJSA-SECBINFHSA-N -1 0 359.429 -0.197 20 0 FBADRM CS(=O)(=O)[N-]c1ccsc1C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001196730699 841387189 /nfs/dbraw/zinc/38/71/89/841387189.db2.gz BTGLZGMYTHFJSA-VIFPVBQESA-N -1 0 359.429 -0.197 20 0 FBADRM CS(=O)(=O)[N-]c1ccsc1C(=O)NC1CN(S(C)(=O)=O)C1 ZINC001196739257 841389050 /nfs/dbraw/zinc/38/90/50/841389050.db2.gz LRLIRVHCDNNKSZ-UHFFFAOYSA-N -1 0 353.447 -0.507 20 0 FBADRM CN(C)S(=O)(=O)CCNC(=O)c1sccc1[N-]S(C)(=O)=O ZINC001196739649 841389391 /nfs/dbraw/zinc/38/93/91/841389391.db2.gz QVSKEXIEQFHJPP-UHFFFAOYSA-N -1 0 355.463 -0.259 20 0 FBADRM COC(=O)CC[C@H](NC(=O)c1sccc1[N-]S(C)(=O)=O)C(N)=O ZINC001196741489 841388568 /nfs/dbraw/zinc/38/85/68/841388568.db2.gz VUJLJLFWSAENJG-QMMMGPOBSA-N -1 0 363.417 -0.344 20 0 FBADRM COc1ccc(F)c(S(=O)(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1 ZINC001196777227 841395603 /nfs/dbraw/zinc/39/56/03/841395603.db2.gz MGHWLVMFXZYXMM-WKEGUHRASA-N -1 0 368.364 -0.485 20 0 FBADRM COC(=O)CCCCS(=O)(=O)[N-]c1ncnc2c1ncn2CCO ZINC001196922458 841404065 /nfs/dbraw/zinc/40/40/65/841404065.db2.gz LBURMSPZYNJKKU-UHFFFAOYSA-N -1 0 357.392 -0.096 20 0 FBADRM CCOC(=O)C([N-]S(=O)(=O)CCCCC(=O)OC)C(=O)OCC ZINC001196969005 841407850 /nfs/dbraw/zinc/40/78/50/841407850.db2.gz XFGJYDZLGNRUNX-UHFFFAOYSA-N -1 0 353.393 -0.256 20 0 FBADRM CC(C)(C)c1nc(C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)no1 ZINC001196980924 841414306 /nfs/dbraw/zinc/41/43/06/841414306.db2.gz MDXSMMRQZQETRV-UHFFFAOYSA-N -1 0 373.351 -0.922 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cnn(C3CCOCC3)c2)C(=O)N1S(=O)(=O)[O-] ZINC001197119632 841429691 /nfs/dbraw/zinc/42/96/91/841429691.db2.gz TYMKXBQLVQEZQS-KWQFWETISA-N -1 0 358.376 -0.634 20 0 FBADRM COc1cc(O)ccc1C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001197152515 841430792 /nfs/dbraw/zinc/43/07/92/841430792.db2.gz JMDBJBOWKRRNGU-UHFFFAOYSA-N -1 0 371.331 -0.889 20 0 FBADRM COC(=O)CNC(=S)N1CCN(CCCCS(=O)(=O)[O-])CC1 ZINC001197182828 841430607 /nfs/dbraw/zinc/43/06/07/841430607.db2.gz UJFCGODRNWBEAI-UHFFFAOYSA-N -1 0 353.466 -0.681 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ncn(Cc3ccccc3)n2)C(=O)N1S(=O)(=O)[O-] ZINC001197190476 841432134 /nfs/dbraw/zinc/43/21/34/841432134.db2.gz XRGVTWDGTNUTNW-ONGXEEELSA-N -1 0 365.371 -0.542 20 0 FBADRM COC(=O)CNC(=S)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1 ZINC001197196290 841437930 /nfs/dbraw/zinc/43/79/30/841437930.db2.gz WQHYFDPXEFEURI-UHFFFAOYSA-N -1 0 359.429 -0.236 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(C)c2C(N)=O)ccc1O ZINC001197204004 841437584 /nfs/dbraw/zinc/43/75/84/841437584.db2.gz DSQNIWTYIMWMQL-UHFFFAOYSA-N -1 0 354.344 -0.188 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C(N)=O)cnn2C)ccc1O ZINC001197204633 841437836 /nfs/dbraw/zinc/43/78/36/841437836.db2.gz NIYDSWAKXYZEBH-UHFFFAOYSA-N -1 0 354.344 -0.188 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2nccnc2C(N)=O)ccc1O ZINC001197207257 841437879 /nfs/dbraw/zinc/43/78/79/841437879.db2.gz CZEXRNMRCUOQEY-UHFFFAOYSA-N -1 0 352.328 -0.132 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2cnc(C(N)=O)nc2)ccc1O ZINC001197207466 841437701 /nfs/dbraw/zinc/43/77/01/841437701.db2.gz KESMHMUZCWTZLN-UHFFFAOYSA-N -1 0 352.328 -0.132 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2cnc(C(N)=O)cn2)ccc1O ZINC001197207823 841437770 /nfs/dbraw/zinc/43/77/70/841437770.db2.gz UYRRYURXQNXULN-UHFFFAOYSA-N -1 0 352.328 -0.132 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1ncc(F)cn1 ZINC001197218872 841439312 /nfs/dbraw/zinc/43/93/12/841439312.db2.gz LJCMRDVEASTOCZ-JTQLQIEISA-N -1 0 350.310 -0.729 20 0 FBADRM Cc1cnc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1Cl ZINC001197280817 841447507 /nfs/dbraw/zinc/44/75/07/841447507.db2.gz UHWAOLNJCBLIJD-UHFFFAOYSA-N -1 0 374.766 -0.246 20 0 FBADRM O=C1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C2(COC2)CN1 ZINC001197324230 841450721 /nfs/dbraw/zinc/45/07/21/841450721.db2.gz CLQFONFEWOXYBJ-UHFFFAOYSA-N -1 0 350.400 -0.401 20 0 FBADRM Cc1noc(C(C)C)c1C(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001197345770 841447885 /nfs/dbraw/zinc/44/78/85/841447885.db2.gz LIMWCRVJWASTAP-UHFFFAOYSA-N -1 0 372.363 -0.183 20 0 FBADRM COc1cccc(CS(=O)(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1 ZINC001197397229 841455605 /nfs/dbraw/zinc/45/56/05/841455605.db2.gz OCAVTRNDRGVVDF-KWQFWETISA-N -1 0 364.401 -0.483 20 0 FBADRM COC(=O)Nc1ccc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1 ZINC001197411222 841457848 /nfs/dbraw/zinc/45/78/48/841457848.db2.gz XUYFSONLSPBTCT-XVKPBYJWSA-N -1 0 357.344 -0.003 20 0 FBADRM Cc1ncsc1CCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001197420641 841459573 /nfs/dbraw/zinc/45/95/73/841459573.db2.gz SWRWLOYOHJNCPI-NXEZZACHSA-N -1 0 352.420 -0.431 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cnn(Cc3cccnc3)c2)C(=O)N1S(=O)(=O)[O-] ZINC001197503616 841467638 /nfs/dbraw/zinc/46/76/38/841467638.db2.gz GBPVEESKLGQBBD-CABZTGNLSA-N -1 0 365.371 -0.542 20 0 FBADRM Cc1cc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nn1-c1ccccn1 ZINC001197525317 841464918 /nfs/dbraw/zinc/46/49/18/841464918.db2.gz XUVYCYVEUSELLN-CABZTGNLSA-N -1 0 365.371 -0.292 20 0 FBADRM CO[C@H](CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C(F)(F)F ZINC001197543375 841469062 /nfs/dbraw/zinc/46/90/62/841469062.db2.gz OLUBDAPDQSMWAH-BWZBUEFSSA-N -1 0 353.301 -0.861 20 0 FBADRM CO[C@@H](CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C(F)(F)F ZINC001197543377 841468870 /nfs/dbraw/zinc/46/88/70/841468870.db2.gz OLUBDAPDQSMWAH-PRJMDXOYSA-N -1 0 353.301 -0.861 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cnn(CC(F)(F)F)c2)C(=O)N1S(=O)(=O)[O-] ZINC001197560970 841472531 /nfs/dbraw/zinc/47/25/31/841472531.db2.gz DYCKHKGMIPUGOH-FSPLSTOPSA-N -1 0 356.282 -0.423 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cnn(-c3cccnc3)c2)C(=O)N1S(=O)(=O)[O-] ZINC001197584096 841475240 /nfs/dbraw/zinc/47/52/40/841475240.db2.gz PCAQTJPLOFNDKG-KWQFWETISA-N -1 0 351.344 -0.601 20 0 FBADRM CCOc1cncc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001197608083 841477892 /nfs/dbraw/zinc/47/78/92/841477892.db2.gz XNYDETNLGLLRQD-UHFFFAOYSA-N -1 0 370.347 -0.809 20 0 FBADRM C[C@H]1[C@H](NS(=O)(=O)Cc2c(F)cccc2F)C(=O)N1S(=O)(=O)[O-] ZINC001197616060 841473483 /nfs/dbraw/zinc/47/34/83/841473483.db2.gz IRSWKYFDUPIRDO-WKEGUHRASA-N -1 0 370.355 -0.214 20 0 FBADRM COCCOc1ncccc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001197639111 841483439 /nfs/dbraw/zinc/48/34/39/841483439.db2.gz VFLGIYIMXZYGBY-WPRPVWTQSA-N -1 0 359.360 -0.761 20 0 FBADRM COC(=O)c1cccc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1F ZINC001197653345 841479087 /nfs/dbraw/zinc/47/90/87/841479087.db2.gz UQKKWJQVDLEJNN-WKEGUHRASA-N -1 0 360.319 -0.256 20 0 FBADRM COCCOc1cccnc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001197689733 841484925 /nfs/dbraw/zinc/48/49/25/841484925.db2.gz KQZLSTDNHSVNEU-WPRPVWTQSA-N -1 0 359.360 -0.761 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnco3)cc2)C(=O)N1S(=O)(=O)[O-] ZINC001197690265 841485594 /nfs/dbraw/zinc/48/55/94/841485594.db2.gz FHGWQLALHUVPSU-XVKPBYJWSA-N -1 0 352.328 -0.132 20 0 FBADRM COCCn1cc(C(=O)NC(=N)SCCS(=O)(=O)[O-])cnc1=O ZINC001197713335 841486894 /nfs/dbraw/zinc/48/68/94/841486894.db2.gz IPMSDNPQMILFOW-UHFFFAOYSA-N -1 0 364.405 -0.825 20 0 FBADRM Cc1ncnn1-c1ccc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1 ZINC001197749174 841490358 /nfs/dbraw/zinc/49/03/58/841490358.db2.gz GCLPDMSYLGKBHV-UFBFGSQYSA-N -1 0 365.371 -0.292 20 0 FBADRM N=C(NC(=O)c1cnc(=O)n(CC2CC2)c1)SCCS(=O)(=O)[O-] ZINC001197778952 841494166 /nfs/dbraw/zinc/49/41/66/841494166.db2.gz OVMGCOMIYVTRPR-UHFFFAOYSA-N -1 0 360.417 -0.061 20 0 FBADRM CCOCCOCCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001197793143 841496697 /nfs/dbraw/zinc/49/66/97/841496697.db2.gz ZTGCCMJQQWNBOD-VXGBXAGGSA-N -1 0 357.411 -0.995 20 0 FBADRM N=C(NC(=O)c1cnn(-c2ncccn2)c1)SCCS(=O)(=O)[O-] ZINC001197837189 841500978 /nfs/dbraw/zinc/50/09/78/841500978.db2.gz ZWGJYLCVDGMFQG-UHFFFAOYSA-N -1 0 356.389 -0.052 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cnccc1C1CC1 ZINC001197846033 841502115 /nfs/dbraw/zinc/50/21/15/841502115.db2.gz RMBBTWXFABSQBG-UHFFFAOYSA-N -1 0 366.359 -0.331 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cncn2Cc2ccncc2)C(=O)N1S(=O)(=O)[O-] ZINC001197897323 841508998 /nfs/dbraw/zinc/50/89/98/841508998.db2.gz YXYDTOSGVYZBCS-CABZTGNLSA-N -1 0 365.371 -0.542 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc(OC(F)F)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001197931881 841509995 /nfs/dbraw/zinc/50/99/95/841509995.db2.gz LUCZRBLEUYFIEJ-XNCJUZBTSA-N -1 0 351.287 -0.185 20 0 FBADRM CN1CCN(C(=O)c2cc(-n3ncc(=O)[n-]c3=O)ccc2Cl)CC1=O ZINC001197980247 841517765 /nfs/dbraw/zinc/51/77/65/841517765.db2.gz AQERUTVJBPKVER-UHFFFAOYSA-N -1 0 363.761 -0.099 20 0 FBADRM C[C@@H](O)[C@@H](CO)NC(=O)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl ZINC001197982117 841517605 /nfs/dbraw/zinc/51/76/05/841517605.db2.gz NEMIEZMCNKPJCL-RDDDGLTNSA-N -1 0 354.750 -0.542 20 0 FBADRM CS(=O)(=O)CCNC(=O)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl ZINC001197984211 841517645 /nfs/dbraw/zinc/51/76/45/841517645.db2.gz YMFOZHXWZHAIRN-UHFFFAOYSA-N -1 0 372.790 -0.239 20 0 FBADRM NC(=O)[C@@H]1CCN(C(=O)c2cc(-n3ncc(=O)[n-]c3=O)ccc2Cl)C1 ZINC001197987518 841519402 /nfs/dbraw/zinc/51/94/02/841519402.db2.gz DLYFBTBTOYSSBO-MRVPVSSYSA-N -1 0 363.761 -0.066 20 0 FBADRM C[C@@H]1C(=O)NCCN1C(=O)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl ZINC001197987665 841519389 /nfs/dbraw/zinc/51/93/89/841519389.db2.gz GKQCPYWLDJOZKA-MRVPVSSYSA-N -1 0 363.761 -0.053 20 0 FBADRM C[C@H]1C(=O)NCCN1C(=O)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl ZINC001197987666 841519260 /nfs/dbraw/zinc/51/92/60/841519260.db2.gz GKQCPYWLDJOZKA-QMMMGPOBSA-N -1 0 363.761 -0.053 20 0 FBADRM CN(C[C@@H](O)CO)C(=O)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl ZINC001197988814 841519447 /nfs/dbraw/zinc/51/94/47/841519447.db2.gz SXWFQOWYUZSNAB-SECBINFHSA-N -1 0 354.750 -0.588 20 0 FBADRM CN(C[C@H](O)CO)C(=O)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl ZINC001197988815 841519273 /nfs/dbraw/zinc/51/92/73/841519273.db2.gz SXWFQOWYUZSNAB-VIFPVBQESA-N -1 0 354.750 -0.588 20 0 FBADRM Nc1c(=O)c(=O)c1NC(=O)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl ZINC001197991340 841519438 /nfs/dbraw/zinc/51/94/38/841519438.db2.gz JOHOQMOLCVSCJD-UHFFFAOYSA-N -1 0 361.701 -0.583 20 0 FBADRM O=C(c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl)N1CCCNC(=O)C1 ZINC001197991763 841519296 /nfs/dbraw/zinc/51/92/96/841519296.db2.gz KMJUMBTZLWJYJR-UHFFFAOYSA-N -1 0 363.761 -0.051 20 0 FBADRM CCC(CO)(CO)NC(=O)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl ZINC001198001034 841516307 /nfs/dbraw/zinc/51/63/07/841516307.db2.gz DSUWJRGTGXFURK-UHFFFAOYSA-N -1 0 368.777 -0.150 20 0 FBADRM O=C(NC[C@H]1CCC(=O)N1)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl ZINC001198001147 841516946 /nfs/dbraw/zinc/51/69/46/841516946.db2.gz FDNTWZVLBQBNOK-MRVPVSSYSA-N -1 0 363.761 -0.005 20 0 FBADRM O=C(NC[C@@H]1CCC(=O)N1)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl ZINC001198001148 841516219 /nfs/dbraw/zinc/51/62/19/841516219.db2.gz FDNTWZVLBQBNOK-QMMMGPOBSA-N -1 0 363.761 -0.005 20 0 FBADRM O=C(NC1(CCO)COC1)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl ZINC001198001306 841516276 /nfs/dbraw/zinc/51/62/76/841516276.db2.gz IYVQXXHYOQHCIQ-UHFFFAOYSA-N -1 0 366.761 -0.132 20 0 FBADRM O=C(N[C@H]1COCC[C@@H]1O)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl ZINC001198002164 841517052 /nfs/dbraw/zinc/51/70/52/841517052.db2.gz QBTPBLMILNFWER-RYUDHWBXSA-N -1 0 366.761 -0.134 20 0 FBADRM O=C(c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl)N1C[C@H](O)C[C@@H]1CO ZINC001198006326 841517101 /nfs/dbraw/zinc/51/71/01/841517101.db2.gz FHAIZRQRUJCTKZ-NXEZZACHSA-N -1 0 366.761 -0.446 20 0 FBADRM O=C(CCO)CNC(=O)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl ZINC001198007396 841516203 /nfs/dbraw/zinc/51/62/03/841516203.db2.gz KGFTXDBNYDCTNM-UHFFFAOYSA-N -1 0 352.734 -0.332 20 0 FBADRM CNC(=O)[C@H](C)NC(=O)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl ZINC001198007836 841517068 /nfs/dbraw/zinc/51/70/68/841517068.db2.gz MHRQNBNQNCCYTO-ZETCQYMHSA-N -1 0 351.750 -0.149 20 0 FBADRM CC(=O)N1CC(NC(=O)c2cc(-n3ncc(=O)[n-]c3=O)ccc2Cl)C1 ZINC001198008162 841516976 /nfs/dbraw/zinc/51/69/76/841516976.db2.gz PCZWDHROPSIZFS-UHFFFAOYSA-N -1 0 363.761 -0.053 20 0 FBADRM O=C(NC[C@@H]1CNC(=O)O1)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl ZINC001198008305 841516649 /nfs/dbraw/zinc/51/66/49/841516649.db2.gz WDYRXAFYLNIPRE-MRVPVSSYSA-N -1 0 365.733 -0.175 20 0 FBADRM O=C(NC[C@H]1CNC(=O)O1)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl ZINC001198008307 841516964 /nfs/dbraw/zinc/51/69/64/841516964.db2.gz WDYRXAFYLNIPRE-QMMMGPOBSA-N -1 0 365.733 -0.175 20 0 FBADRM O=C(NC[C@H]1CNC(=O)C1)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl ZINC001198008484 841516716 /nfs/dbraw/zinc/51/67/16/841516716.db2.gz QIMMLNFEFOTJGI-MRVPVSSYSA-N -1 0 363.761 -0.148 20 0 FBADRM O=C(NC[C@@H]1CNC(=O)C1)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl ZINC001198008485 841516148 /nfs/dbraw/zinc/51/61/48/841516148.db2.gz QIMMLNFEFOTJGI-QMMMGPOBSA-N -1 0 363.761 -0.148 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2nccnc2OCC2CC2)C(=O)N1S(=O)(=O)[O-] ZINC001198026179 841523432 /nfs/dbraw/zinc/52/34/32/841523432.db2.gz UBIKLOZMJBEAEI-CBAPKCEASA-N -1 0 356.360 -0.603 20 0 FBADRM CC(C)n1cncc1C(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001198104546 841531368 /nfs/dbraw/zinc/53/13/68/841531368.db2.gz ZNNNZXKXSABFPE-UHFFFAOYSA-N -1 0 357.352 -0.826 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1O ZINC001198162163 841533856 /nfs/dbraw/zinc/53/38/56/841533856.db2.gz SVLRYJSVAJKZOF-RKDXNWHRSA-N -1 0 367.328 -0.417 20 0 FBADRM C[C@H]1[C@H](NS(=O)(=O)c2ccc3nccnc3c2)C(=O)N1S(=O)(=O)[O-] ZINC001198164120 841533145 /nfs/dbraw/zinc/53/31/45/841533145.db2.gz GXINPRJSQLNZCA-CPCISQLKSA-N -1 0 372.384 -0.690 20 0 FBADRM CC1(C)CO[C@H](CCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)C1 ZINC001198171774 841534472 /nfs/dbraw/zinc/53/44/72/841534472.db2.gz ROJVVASORTUCNC-IJLUTSLNSA-N -1 0 353.423 -0.233 20 0 FBADRM CC1(C)CO[C@@H](CCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)C1 ZINC001198171775 841535128 /nfs/dbraw/zinc/53/51/28/841535128.db2.gz ROJVVASORTUCNC-QJPTWQEYSA-N -1 0 353.423 -0.233 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cncn2-c2ccccn2)C(=O)N1S(=O)(=O)[O-] ZINC001198193551 841540135 /nfs/dbraw/zinc/54/01/35/841540135.db2.gz YIPSNMGCGNURAK-KWQFWETISA-N -1 0 351.344 -0.601 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccncc2N2CCOCC2)C(=O)N1S(=O)(=O)[O-] ZINC001198216066 841539949 /nfs/dbraw/zinc/53/99/49/841539949.db2.gz KDVFUEIABYIRQA-CABZTGNLSA-N -1 0 370.387 -0.950 20 0 FBADRM C[C@H]1[C@H](NS(=O)(=O)c2cccc(Cl)n2)C(=O)N1S(=O)(=O)[O-] ZINC001198247036 841544750 /nfs/dbraw/zinc/54/47/50/841544750.db2.gz SPZJQLMYYNIMSI-XNCJUZBTSA-N -1 0 355.781 -0.585 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2nccn2Cc2ccccn2)C(=O)N1S(=O)(=O)[O-] ZINC001198285106 841546818 /nfs/dbraw/zinc/54/68/18/841546818.db2.gz AJOFAUIFPLOPHV-ONGXEEELSA-N -1 0 365.371 -0.542 20 0 FBADRM O=C(COc1ccc(Cl)cc1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001198292137 841546855 /nfs/dbraw/zinc/54/68/55/841546855.db2.gz JLRGPRWOPFKQHJ-VXGBXAGGSA-N -1 0 367.793 -0.096 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2nccn2CC(F)(F)F)C(=O)N1S(=O)(=O)[O-] ZINC001198306388 841551241 /nfs/dbraw/zinc/55/12/41/841551241.db2.gz ALRCZJRFEAMUOC-WDSKDSINSA-N -1 0 356.282 -0.423 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cn(Cc3ccccn3)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001198376525 841552268 /nfs/dbraw/zinc/55/22/68/841552268.db2.gz YPTOYWNLXGJOFB-CABZTGNLSA-N -1 0 365.371 -0.542 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cn(C3CCOCC3)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001198408088 841554907 /nfs/dbraw/zinc/55/49/07/841554907.db2.gz NRFUAXKKWXWSGX-KWQFWETISA-N -1 0 358.376 -0.634 20 0 FBADRM C[C@H]1CCc2c(C(=O)n3c(=N)nc(OS(=O)(=O)[O-])c(N)c3N)n[nH]c21 ZINC001198434064 841555906 /nfs/dbraw/zinc/55/59/06/841555906.db2.gz JUFVFIPGKLEZEN-BYPYZUCNSA-N -1 0 369.363 -0.830 20 0 FBADRM C[C@@H]1CCc2c(C(=O)n3c(=N)nc(OS(=O)(=O)[O-])c(N)c3N)n[nH]c21 ZINC001198434070 841556466 /nfs/dbraw/zinc/55/64/66/841556466.db2.gz JUFVFIPGKLEZEN-SCSAIBSYSA-N -1 0 369.363 -0.830 20 0 FBADRM O=C(COc1cccc(Cl)c1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001198482792 841564289 /nfs/dbraw/zinc/56/42/89/841564289.db2.gz RFHJSTDGPLXFGW-VXGBXAGGSA-N -1 0 367.793 -0.096 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc3c(c2)n(C)c(=O)n3C)C(=O)N1S(=O)(=O)[O-] ZINC001198510915 841568096 /nfs/dbraw/zinc/56/80/96/841568096.db2.gz CBYHTKSVVCIXGP-CPCISQLKSA-N -1 0 368.371 -0.991 20 0 FBADRM Cc1noc(C)c1CCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001198528187 841565957 /nfs/dbraw/zinc/56/59/57/841565957.db2.gz IRTKDXIIUAEFDZ-VXGBXAGGSA-N -1 0 350.379 -0.591 20 0 FBADRM O=C(COc1ccc(F)cc1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001198543127 841570386 /nfs/dbraw/zinc/57/03/86/841570386.db2.gz QRTHZSMXXPVIBX-VXGBXAGGSA-N -1 0 351.338 -0.610 20 0 FBADRM N=C(NC(=O)c1cnc2ccccn2c1=O)SCCS(=O)(=O)[O-] ZINC001198547191 841570685 /nfs/dbraw/zinc/57/06/85/841570685.db2.gz BJUHIKVUIGPDSZ-UHFFFAOYSA-N -1 0 356.385 -0.020 20 0 FBADRM CC(C)Cn1cnc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001198563952 841568788 /nfs/dbraw/zinc/56/87/88/841568788.db2.gz NISSRSKTFJTQKH-UHFFFAOYSA-N -1 0 371.379 -0.750 20 0 FBADRM C[C@@](Cn1cccn1)(NCC1=Nc2ccccc2S(=O)(=O)[N-]1)C(N)=O ZINC001198575857 841570598 /nfs/dbraw/zinc/57/05/98/841570598.db2.gz YPPODVLIYQSVJV-HNNXBMFYSA-N -1 0 362.415 -0.261 20 0 FBADRM C[C@](Cn1cccn1)(NCC1=Nc2ccccc2S(=O)(=O)[N-]1)C(N)=O ZINC001198575859 841570788 /nfs/dbraw/zinc/57/07/88/841570788.db2.gz YPPODVLIYQSVJV-OAHLLOKOSA-N -1 0 362.415 -0.261 20 0 FBADRM C=CS(=O)(=O)[N-]c1ncnc2c1c(F)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001198578998 841570267 /nfs/dbraw/zinc/57/02/67/841570267.db2.gz GERSQXFKZIKQTC-QYVSTXNMSA-N -1 0 374.350 -0.933 20 0 FBADRM O=C(COc1ccccc1Cl)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001198599406 841573833 /nfs/dbraw/zinc/57/38/33/841573833.db2.gz DTHASFMHXZOQEO-GHMZBOCLSA-N -1 0 367.793 -0.096 20 0 FBADRM O=C(COc1ccccc1F)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001198631210 841574773 /nfs/dbraw/zinc/57/47/73/841574773.db2.gz UUTSDTNVRIADRX-GHMZBOCLSA-N -1 0 351.338 -0.610 20 0 FBADRM COCCn1c(=O)cccc1C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001198701033 841582646 /nfs/dbraw/zinc/58/26/46/841582646.db2.gz UYRAMXLXZIVIRJ-UHFFFAOYSA-N -1 0 363.417 -0.220 20 0 FBADRM COc1nc(Cl)ccc1S(=O)(=O)Nc1c([S-])[nH]c(=O)[nH]c1=O ZINC001198721583 841585976 /nfs/dbraw/zinc/58/59/76/841585976.db2.gz KLUQDOCUVTYQHU-LURJTMIESA-N -1 0 364.792 -0.443 20 0 FBADRM COc1nc(Cl)ccc1S(=O)(=O)Nc1c([S-])[nH]c(=O)[nH]c1=O ZINC001198721676 841585760 /nfs/dbraw/zinc/58/57/60/841585760.db2.gz KLUQDOCUVTYQHU-ZCFIWIBFSA-N -1 0 364.792 -0.443 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccn(C3CCC3)c(=O)c2)C(=O)N1S(=O)(=O)[O-] ZINC001198759842 841596076 /nfs/dbraw/zinc/59/60/76/841596076.db2.gz JHCYEBPUDSYJDF-UFBFGSQYSA-N -1 0 355.372 -0.295 20 0 FBADRM CCOC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198760976 841596125 /nfs/dbraw/zinc/59/61/25/841596125.db2.gz OEQJLNKFSNKIBO-LLVKDONJSA-N -1 0 370.383 -0.173 20 0 FBADRM CCOC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198760977 841596026 /nfs/dbraw/zinc/59/60/26/841596026.db2.gz OEQJLNKFSNKIBO-NSHDSACASA-N -1 0 370.383 -0.173 20 0 FBADRM O=C([O-])c1ccccc1S(=O)(=O)N1CC(N2CCS(=O)(=O)CC2)C1 ZINC001198762224 841597399 /nfs/dbraw/zinc/59/73/99/841597399.db2.gz CKDFVESNWWRJOI-UHFFFAOYSA-N -1 0 374.440 -0.512 20 0 FBADRM CN1CCN(C2CN(S(=O)(=O)c3ccccc3C(=O)[O-])C2)CC1=O ZINC001198762271 841597785 /nfs/dbraw/zinc/59/77/85/841597785.db2.gz DEJVJGNMBNQJSC-UHFFFAOYSA-N -1 0 353.400 -0.468 20 0 FBADRM CC1(C)CN(S(=O)(=O)c2ccccc2C(=O)[O-])CCN1CC(N)=O ZINC001198763398 841598626 /nfs/dbraw/zinc/59/86/26/841598626.db2.gz ZOBHOPLCUYGDOW-UHFFFAOYSA-N -1 0 355.416 -0.045 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccc2c(c1)CCC2 ZINC001198763848 841598789 /nfs/dbraw/zinc/59/87/89/841598789.db2.gz ZKMYVRRVGNHPEH-UHFFFAOYSA-N -1 0 365.371 -0.114 20 0 FBADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2C(=O)[O-])CCN1C(C)=O ZINC001198767471 841598569 /nfs/dbraw/zinc/59/85/69/841598569.db2.gz FSSCSNIRIOESTO-GFCCVEGCSA-N -1 0 370.383 -0.221 20 0 FBADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2C(=O)[O-])CCN1C(C)=O ZINC001198767474 841598528 /nfs/dbraw/zinc/59/85/28/841598528.db2.gz FSSCSNIRIOESTO-LBPRGKRZSA-N -1 0 370.383 -0.221 20 0 FBADRM COC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198768949 841598212 /nfs/dbraw/zinc/59/82/12/841598212.db2.gz VFZODVIYYQWKEQ-NSHDSACASA-N -1 0 370.383 -0.173 20 0 FBADRM COC(=O)[C@H]1CN(C(C)=O)CCN1S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198769244 841598696 /nfs/dbraw/zinc/59/86/96/841598696.db2.gz XOCHPJVGTRFGAH-GFCCVEGCSA-N -1 0 370.383 -0.221 20 0 FBADRM COC(=O)[C@@H]1CN(C(C)=O)CCN1S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198769247 841598315 /nfs/dbraw/zinc/59/83/15/841598315.db2.gz XOCHPJVGTRFGAH-LBPRGKRZSA-N -1 0 370.383 -0.221 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccn(CC3CC3)c(=O)c2)C(=O)N1S(=O)(=O)[O-] ZINC001198781390 841599571 /nfs/dbraw/zinc/59/95/71/841599571.db2.gz VKBAXUIOVBXHCH-UFBFGSQYSA-N -1 0 355.372 -0.610 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cccc(=O)n2CC2CC2)C(=O)N1S(=O)(=O)[O-] ZINC001198796104 841602699 /nfs/dbraw/zinc/60/26/99/841602699.db2.gz KVYPCTIDOKOAAB-UFBFGSQYSA-N -1 0 355.372 -0.610 20 0 FBADRM O=C([O-])c1ccccc1S(=O)(=O)NCCNC(=O)N1CCOCC1 ZINC001198796928 841602043 /nfs/dbraw/zinc/60/20/43/841602043.db2.gz BZMNYRSWQGWXCQ-UHFFFAOYSA-N -1 0 357.388 -0.295 20 0 FBADRM CN(C)C(=O)c1nc(CNS(=O)(=O)c2ccccc2C(=O)[O-])no1 ZINC001198799627 841602562 /nfs/dbraw/zinc/60/25/62/841602562.db2.gz VITNFEJFUDXPAD-UHFFFAOYSA-N -1 0 354.344 -0.052 20 0 FBADRM CC(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1C(=O)[O-])C(N)=O ZINC001198801732 841603247 /nfs/dbraw/zinc/60/32/47/841603247.db2.gz PQLVPTDIRHEOID-LBPRGKRZSA-N -1 0 371.415 -0.177 20 0 FBADRM O=C([O-])c1ccccc1S(=O)(=O)NCCOCCN1C(=O)C=CC1=O ZINC001198807403 841603430 /nfs/dbraw/zinc/60/34/30/841603430.db2.gz HGIUTOGXOLTQCX-UHFFFAOYSA-N -1 0 368.367 -0.395 20 0 FBADRM CNC(=O)CN1CCC(NS(=O)(=O)c2ccccc2C(=O)[O-])CC1 ZINC001198807419 841603777 /nfs/dbraw/zinc/60/37/77/841603777.db2.gz HWGZCPNKRAIAHD-UHFFFAOYSA-N -1 0 355.416 -0.127 20 0 FBADRM CC(C)C[C@H](NS(=O)(=O)c1ccccc1C(=O)[O-])C(=O)NCC(N)=O ZINC001198807466 841603466 /nfs/dbraw/zinc/60/34/66/841603466.db2.gz KONSXVVQXWVROS-NSHDSACASA-N -1 0 371.415 -0.321 20 0 FBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198809453 841603556 /nfs/dbraw/zinc/60/35/56/841603556.db2.gz GTMRNORBHIQGCR-IUCAKERBSA-N -1 0 358.372 -0.271 20 0 FBADRM O=C([O-])c1ccccc1S(=O)(=O)NCCN1CCS(=O)(=O)CC1 ZINC001198811040 841604712 /nfs/dbraw/zinc/60/47/12/841604712.db2.gz VGRNSOLIXCHFIY-UHFFFAOYSA-N -1 0 362.429 -0.607 20 0 FBADRM CC(C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1C(=O)[O-])C(N)=O ZINC001198820366 841605957 /nfs/dbraw/zinc/60/59/57/841605957.db2.gz LPNLKVOKFUBVCZ-CABZTGNLSA-N -1 0 371.415 -0.322 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cc(OCC3CCC3)ncn2)C(=O)N1S(=O)(=O)[O-] ZINC001198823124 841605820 /nfs/dbraw/zinc/60/58/20/841605820.db2.gz ZAVUEBMFGZJVMB-UFBFGSQYSA-N -1 0 370.387 -0.213 20 0 FBADRM COCCn1cc(C(=O)NC(=N)SCCS(=O)(=O)[O-])ccc1=O ZINC001198838985 841608131 /nfs/dbraw/zinc/60/81/31/841608131.db2.gz YIMMJYHTCACZPV-UHFFFAOYSA-N -1 0 363.417 -0.220 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccc2c(c1)COC2 ZINC001198840718 841608275 /nfs/dbraw/zinc/60/82/75/841608275.db2.gz FSQSDTFFOVZVPV-UHFFFAOYSA-N -1 0 367.343 -0.573 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc(=O)n(CC3CC3)c2)C(=O)N1S(=O)(=O)[O-] ZINC001198920461 841612910 /nfs/dbraw/zinc/61/29/10/841612910.db2.gz JCAAIPFVNNZCFT-UFBFGSQYSA-N -1 0 355.372 -0.610 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c(C)c1 ZINC001198962411 841613601 /nfs/dbraw/zinc/61/36/01/841613601.db2.gz LHACZOJRGXQWOQ-KWQFWETISA-N -1 0 364.401 -0.316 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cnc(=O)n(C3CCC3)c2)C(=O)N1S(=O)(=O)[O-] ZINC001198975551 841615727 /nfs/dbraw/zinc/61/57/27/841615727.db2.gz OZYKSRXUSGLWQV-XVKPBYJWSA-N -1 0 356.360 -0.900 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cn(C)c3ccccc3c2=O)C(=O)N1S(=O)(=O)[O-] ZINC001198978410 841615697 /nfs/dbraw/zinc/61/56/97/841615697.db2.gz NHXHPFQPGRCJJT-UFBFGSQYSA-N -1 0 365.367 -0.330 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1O ZINC001198983442 841615594 /nfs/dbraw/zinc/61/55/94/841615594.db2.gz WEPRMRARNMNVRS-RKDXNWHRSA-N -1 0 365.312 -0.812 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CN(Cc2ccon2)C[C@H]1O ZINC001198983506 841616837 /nfs/dbraw/zinc/61/68/37/841616837.db2.gz WYENFIPNRXMIJN-NXEZZACHSA-N -1 0 364.324 -0.207 20 0 FBADRM COCCOc1cncc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1 ZINC001198996905 841619515 /nfs/dbraw/zinc/61/95/15/841619515.db2.gz SEXGISUYAARECV-KWQFWETISA-N -1 0 359.360 -0.761 20 0 FBADRM O=C(CCn1cc(Cl)cn1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001198998733 841620689 /nfs/dbraw/zinc/62/06/89/841620689.db2.gz ZYNNRTWMHYZHRL-NXEZZACHSA-N -1 0 355.786 -0.888 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cncn2C2CCOCC2)C(=O)N1S(=O)(=O)[O-] ZINC001199077805 841629151 /nfs/dbraw/zinc/62/91/51/841629151.db2.gz HAVFEAXAAKOZSZ-KWQFWETISA-N -1 0 358.376 -0.634 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cn(-c3ccccn3)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001199116567 841638512 /nfs/dbraw/zinc/63/85/12/841638512.db2.gz GIKNEARDNMFEHH-KWQFWETISA-N -1 0 351.344 -0.601 20 0 FBADRM COCCOc1cnc(C(=O)NC(=N)SCCS(=O)(=O)[O-])cn1 ZINC001199128424 841634708 /nfs/dbraw/zinc/63/47/08/841634708.db2.gz DVIRWXXMVNIZSW-UHFFFAOYSA-N -1 0 364.405 -0.213 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cnc(OCC3CC3)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001199141843 841635824 /nfs/dbraw/zinc/63/58/24/841635824.db2.gz MEENLSBHXWQHJY-CPCISQLKSA-N -1 0 356.360 -0.603 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cnc(OC3CCC3)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001199147098 841639195 /nfs/dbraw/zinc/63/91/95/841639195.db2.gz JZZDWZWLZOEYLQ-CPCISQLKSA-N -1 0 356.360 -0.460 20 0 FBADRM COCCOc1ccnc(C(=O)NC(=N)SCCS(=O)(=O)[O-])n1 ZINC001199193611 841643115 /nfs/dbraw/zinc/64/31/15/841643115.db2.gz ZRCOVGKKARXTNQ-UHFFFAOYSA-N -1 0 364.405 -0.213 20 0 FBADRM COCCOc1ccnc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1 ZINC001199219546 841644703 /nfs/dbraw/zinc/64/47/03/841644703.db2.gz GDUPPWPHKUABME-KWQFWETISA-N -1 0 359.360 -0.761 20 0 FBADRM Cc1cc(C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)n(C(C)C)n1 ZINC001199220585 841644442 /nfs/dbraw/zinc/64/44/42/841644442.db2.gz GMVTZYRIBIXAMR-UHFFFAOYSA-N -1 0 371.379 -0.517 20 0 FBADRM COCCOc1ccncc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001199235925 841644508 /nfs/dbraw/zinc/64/45/08/841644508.db2.gz ZMHIIBGNFVORCY-KWQFWETISA-N -1 0 359.360 -0.761 20 0 FBADRM COCCOc1ncc(C(=O)NC(=N)SCCS(=O)(=O)[O-])cn1 ZINC001199254436 841644819 /nfs/dbraw/zinc/64/48/19/841644819.db2.gz GOCTYEXAWJUJOK-UHFFFAOYSA-N -1 0 364.405 -0.213 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cncc(N3CCOCC3)c2)C(=O)N1S(=O)(=O)[O-] ZINC001199272748 841646774 /nfs/dbraw/zinc/64/67/74/841646774.db2.gz MSXMZYXQHBQFBZ-CABZTGNLSA-N -1 0 370.387 -0.950 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ncccc2N2CCOCC2)C(=O)N1S(=O)(=O)[O-] ZINC001199280730 841647084 /nfs/dbraw/zinc/64/70/84/841647084.db2.gz OUUCCDGEIYWSAE-ONGXEEELSA-N -1 0 370.387 -0.950 20 0 FBADRM COCCC1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)CCCC1 ZINC001199284564 841647103 /nfs/dbraw/zinc/64/71/03/841647103.db2.gz IDFCIOYVIKSRTR-VXGBXAGGSA-N -1 0 353.423 -0.232 20 0 FBADRM Cc1noc(Cl)c1CCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001199292709 841648172 /nfs/dbraw/zinc/64/81/72/841648172.db2.gz QXLBOVZFGGBATC-NXEZZACHSA-N -1 0 370.797 -0.246 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cnc(-c3cnccn3)nc2)C(=O)N1S(=O)(=O)[O-] ZINC001199295363 841648500 /nfs/dbraw/zinc/64/85/00/841648500.db2.gz VXLNZCCEDVHCRN-XVKPBYJWSA-N -1 0 364.343 -0.935 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cncc(OC(F)F)c2)C(=O)N1S(=O)(=O)[O-] ZINC001199297847 841648188 /nfs/dbraw/zinc/64/81/88/841648188.db2.gz HALHYAFINSSMMP-XNCJUZBTSA-N -1 0 351.287 -0.185 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cccc(OC(F)F)n2)C(=O)N1S(=O)(=O)[O-] ZINC001199305339 841649537 /nfs/dbraw/zinc/64/95/37/841649537.db2.gz QOVBKSWYMWZPAP-XNCJUZBTSA-N -1 0 351.287 -0.185 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cc(OC(F)F)ccn2)C(=O)N1S(=O)(=O)[O-] ZINC001199312670 841650348 /nfs/dbraw/zinc/65/03/48/841650348.db2.gz RYTNWHWUSDKQLD-XNCJUZBTSA-N -1 0 351.287 -0.185 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cnccc2OC(F)F)C(=O)N1S(=O)(=O)[O-] ZINC001199382061 841659715 /nfs/dbraw/zinc/65/97/15/841659715.db2.gz QCADHJIKBDGGJI-XNCJUZBTSA-N -1 0 351.287 -0.185 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cn(CC(F)(F)F)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001199396630 841657965 /nfs/dbraw/zinc/65/79/65/841657965.db2.gz WSMKMQMUXKSEHC-FSPLSTOPSA-N -1 0 356.282 -0.423 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2nccn2Cc2cccnc2)C(=O)N1S(=O)(=O)[O-] ZINC001199402930 841662183 /nfs/dbraw/zinc/66/21/83/841662183.db2.gz WXYLUHLRVSQZKA-ONGXEEELSA-N -1 0 365.371 -0.542 20 0 FBADRM CC1CCC(OCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)CC1 ZINC001199405438 841662399 /nfs/dbraw/zinc/66/23/99/841662399.db2.gz DRVAXVCGDOZVFD-FIYWTHMPSA-N -1 0 353.423 -0.233 20 0 FBADRM CC(C)n1ccnc1C(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001199411868 841663580 /nfs/dbraw/zinc/66/35/80/841663580.db2.gz FHSNYAFPOZNASV-UHFFFAOYSA-N -1 0 357.352 -0.826 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cn(Cc3ccncc3)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001199419317 841659088 /nfs/dbraw/zinc/65/90/88/841659088.db2.gz LQNSROSUXMIYKC-CABZTGNLSA-N -1 0 365.371 -0.542 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cncn2-c2cccnc2)C(=O)N1S(=O)(=O)[O-] ZINC001199435790 841662473 /nfs/dbraw/zinc/66/24/73/841662473.db2.gz USMHJDUEOQOKFG-KWQFWETISA-N -1 0 351.344 -0.601 20 0 FBADRM CC(C)CNc1cc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)ncn1 ZINC001199447874 841667282 /nfs/dbraw/zinc/66/72/82/841667282.db2.gz MJTODUDEUFWXJE-KWQFWETISA-N -1 0 357.392 -0.324 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1nccn1CC1CC1 ZINC001199449568 841663647 /nfs/dbraw/zinc/66/36/47/841663647.db2.gz DKBVIPJSOFXRFA-UHFFFAOYSA-N -1 0 369.363 -0.996 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cc(OC3CCC3)ncn2)C(=O)N1S(=O)(=O)[O-] ZINC001199476897 841668233 /nfs/dbraw/zinc/66/82/33/841668233.db2.gz WWMWWIRDIDUSKQ-CPCISQLKSA-N -1 0 356.360 -0.460 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cccn(C3CCC3)c2=O)C(=O)N1S(=O)(=O)[O-] ZINC001199488362 841667323 /nfs/dbraw/zinc/66/73/23/841667323.db2.gz PULZZIXJWHFXCR-KWQFWETISA-N -1 0 355.372 -0.295 20 0 FBADRM O=C(CC(F)(F)C(F)(F)F)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001199523644 841672215 /nfs/dbraw/zinc/67/22/15/841672215.db2.gz DQAVFMQBKMGGCX-PHDIDXHHSA-N -1 0 359.255 -0.241 20 0 FBADRM O=C(CCc1cncc(F)c1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001199539380 841670068 /nfs/dbraw/zinc/67/00/68/841670068.db2.gz LRJLEAYVGYNWPB-VXGBXAGGSA-N -1 0 350.354 -0.662 20 0 FBADRM COCCOc1ccc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cn1 ZINC001199549822 841676949 /nfs/dbraw/zinc/67/69/49/841676949.db2.gz KSBSBLDWHLKJOG-KWQFWETISA-N -1 0 359.360 -0.761 20 0 FBADRM N=C(NC(=O)c1cn(-c2ncccn2)cn1)SCCS(=O)(=O)[O-] ZINC001199556167 841675199 /nfs/dbraw/zinc/67/51/99/841675199.db2.gz RENWJCZFXUOTTC-UHFFFAOYSA-N -1 0 356.389 -0.052 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cnn(CC3CCOCC3)c2)C(=O)N1S(=O)(=O)[O-] ZINC001199568949 841675487 /nfs/dbraw/zinc/67/54/87/841675487.db2.gz NTPREZVXYTTWFN-CABZTGNLSA-N -1 0 372.403 -0.558 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2cnn(Cc3ccccn3)c2)C(=O)N1S(=O)(=O)[O-] ZINC001199575639 841676573 /nfs/dbraw/zinc/67/65/73/841676573.db2.gz BGDGIAJCIXWMJE-CABZTGNLSA-N -1 0 365.371 -0.542 20 0 FBADRM Cc1cc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n(-c2cccnc2)n1 ZINC001199588771 841679343 /nfs/dbraw/zinc/67/93/43/841679343.db2.gz JYTOQWTWHAOLRV-CABZTGNLSA-N -1 0 365.371 -0.292 20 0 FBADRM COCCOc1cnccc1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001199627785 841679330 /nfs/dbraw/zinc/67/93/30/841679330.db2.gz YBSYWNRVRWZPJF-KWQFWETISA-N -1 0 359.360 -0.761 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2nccc(OC3CCC3)n2)C(=O)N1S(=O)(=O)[O-] ZINC001199632218 841679213 /nfs/dbraw/zinc/67/92/13/841679213.db2.gz KSQLQELNLNOTSD-XVKPBYJWSA-N -1 0 356.360 -0.460 20 0 FBADRM CO[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CCCCC1 ZINC001199644216 841680521 /nfs/dbraw/zinc/68/05/21/841680521.db2.gz QDRREDLHJKHVCD-BZPMIXESSA-N -1 0 353.423 -0.233 20 0 FBADRM CO[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CCCCC1 ZINC001199644217 841680371 /nfs/dbraw/zinc/68/03/71/841680371.db2.gz QDRREDLHJKHVCD-YRGRVCCFSA-N -1 0 353.423 -0.233 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccnc(OC3CCC3)n2)C(=O)N1S(=O)(=O)[O-] ZINC001199653383 841679928 /nfs/dbraw/zinc/67/99/28/841679928.db2.gz KTTBCIHGAJZRGO-XVKPBYJWSA-N -1 0 356.360 -0.460 20 0 FBADRM Cc1c(Cl)onc1C(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001199671374 841680650 /nfs/dbraw/zinc/68/06/50/841680650.db2.gz SUJSGKANXNDKBD-UHFFFAOYSA-N -1 0 364.727 -0.653 20 0 FBADRM CCOC(=O)c1cnc(C)c(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1 ZINC001199687472 841680225 /nfs/dbraw/zinc/68/02/25/841680225.db2.gz QXAWZONBQPWWAW-KWQFWETISA-N -1 0 371.371 -0.301 20 0 FBADRM COc1cc(C)c(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cn1 ZINC001199705629 841680253 /nfs/dbraw/zinc/68/02/53/841680253.db2.gz VICIGXSCFJDVNF-UHFFFAOYSA-N -1 0 370.347 -0.891 20 0 FBADRM Cc1ccnc(F)c1C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001199710406 841680458 /nfs/dbraw/zinc/68/04/58/841680458.db2.gz GLCHEVLXTWBLIF-UHFFFAOYSA-N -1 0 358.311 -0.760 20 0 FBADRM CC(C)c1oncc1C(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001199744269 841681152 /nfs/dbraw/zinc/68/11/52/841681152.db2.gz VNYCFMXINGJFBK-UHFFFAOYSA-N -1 0 358.336 -0.492 20 0 FBADRM COc1cnc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c(C)c1 ZINC001199752032 841681353 /nfs/dbraw/zinc/68/13/53/841681353.db2.gz ZMGXBTFBVXEVME-UHFFFAOYSA-N -1 0 370.347 -0.891 20 0 FBADRM CCOc1ccc(NC(=O)N(C)C)cc1S(=O)(=O)N[C@@H]1CO[N-]C1=O ZINC001199953458 841687867 /nfs/dbraw/zinc/68/78/67/841687867.db2.gz QBCWSWXSVSUFMU-SNVBAGLBSA-N -1 0 372.403 -0.113 20 0 FBADRM COC(=O)CCNC(=S)N1CCN(CCCCS(=O)(=O)[O-])CC1 ZINC001199992043 841690253 /nfs/dbraw/zinc/69/02/53/841690253.db2.gz OYVBQWKTFFLFCQ-UHFFFAOYSA-N -1 0 367.493 -0.290 20 0 FBADRM COC(=O)CCNC(=S)Nc1ccc(S(=O)(=O)[N-]C(N)=O)cc1 ZINC001199997353 841690194 /nfs/dbraw/zinc/69/01/94/841690194.db2.gz ZDTVFJHQQKNSNQ-UHFFFAOYSA-N -1 0 360.417 -0.107 20 0 FBADRM O=C1[N-]S(=O)(=O)c2cc(NC(=S)NCCN3CCOCC3)ccc21 ZINC001200128854 852137071 /nfs/dbraw/zinc/13/70/71/852137071.db2.gz KWVJDYMVGWOTIK-UHFFFAOYSA-N -1 0 370.456 -0.263 20 0 FBADRM COc1cc(S(=O)(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)ccc1F ZINC001200594201 852215227 /nfs/dbraw/zinc/21/52/27/852215227.db2.gz UYHVNJYESMHFIT-WKEGUHRASA-N -1 0 368.364 -0.485 20 0 FBADRM C[C@H]1[C@H](NC(=S)NCc2ccc3c(c2)OCO3)C(=O)N1S(=O)(=O)[O-] ZINC001200734852 852235384 /nfs/dbraw/zinc/23/53/84/852235384.db2.gz NKHRTKJQZQVOCU-CPCISQLKSA-N -1 0 373.412 -0.219 20 0 FBADRM Cc1cccc(S(=O)(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1F ZINC001200846845 852252310 /nfs/dbraw/zinc/25/23/10/852252310.db2.gz VFUTWWNUQCKNFV-XVKPBYJWSA-N -1 0 352.365 -0.185 20 0 FBADRM Cc1cn2c(ncc(C(=O)N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)c2=O)s1 ZINC001201225410 841710603 /nfs/dbraw/zinc/71/06/03/841710603.db2.gz WLYNDANCLXGISK-XPUUQOCRSA-N -1 0 372.384 -0.804 20 0 FBADRM COC(=O)c1ccc(CS(=O)(=O)[N-]C(C(=O)OC)C(=O)OC)cc1 ZINC001201227756 841711113 /nfs/dbraw/zinc/71/11/13/841711113.db2.gz KTXJYIKEMZRTSJ-UHFFFAOYSA-N -1 0 359.356 -0.393 20 0 FBADRM Cc1ccn2c(c1)ncc(C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)c2=O ZINC001201263718 841711098 /nfs/dbraw/zinc/71/10/98/841711098.db2.gz UAXCBTCZQKJTDE-KWQFWETISA-N -1 0 366.355 -0.865 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccc2nccn2c1 ZINC001201271249 841710482 /nfs/dbraw/zinc/71/04/82/841710482.db2.gz WCSGANKYBGPHOH-UHFFFAOYSA-N -1 0 365.331 -0.955 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cccc2cc[nH]c21 ZINC001201309717 841711968 /nfs/dbraw/zinc/71/19/68/841711968.db2.gz JMWOUTAQVAIHFJ-UHFFFAOYSA-N -1 0 364.343 -0.122 20 0 FBADRM C[C@H]1[C@H](NC(=O)c2ccc3c(c2)ncn(C)c3=O)C(=O)N1S(=O)(=O)[O-] ZINC001201344320 841711927 /nfs/dbraw/zinc/71/19/27/841711927.db2.gz JGLJRSYYSDVXIP-CPCISQLKSA-N -1 0 366.355 -0.935 20 0 FBADRM Cc1nc2ccccn2c(=O)c1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001201366862 841712473 /nfs/dbraw/zinc/71/24/73/841712473.db2.gz YEJZYVDGHPRZCJ-KWQFWETISA-N -1 0 366.355 -0.865 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cc2cccn2cn1 ZINC001201369226 841711985 /nfs/dbraw/zinc/71/19/85/841711985.db2.gz XHBUPPNYBPYONK-UHFFFAOYSA-N -1 0 365.331 -0.955 20 0 FBADRM CCOc1ccc(NC(=O)NC)cc1S(=O)(=O)N[C@@H]1CO[N-]C1=O ZINC001201448169 841714934 /nfs/dbraw/zinc/71/49/34/841714934.db2.gz VVNXPOWTKADUNK-SECBINFHSA-N -1 0 358.376 -0.455 20 0 FBADRM CCOc1ccc(NC(=O)NC)cc1S(=O)(=O)NCS(=O)(=O)[O-] ZINC001201450505 841714664 /nfs/dbraw/zinc/71/46/64/841714664.db2.gz XRCFDQLOEYUGLA-UHFFFAOYSA-N -1 0 367.405 -0.040 20 0 FBADRM CCOc1ccc(C(=O)OC)cc1S(=O)(=O)NCS(=O)(=O)[O-] ZINC001201555192 841715562 /nfs/dbraw/zinc/71/55/62/841715562.db2.gz OKOQMZAUOLUVOO-UHFFFAOYSA-N -1 0 353.374 -0.005 20 0 FBADRM COC(=O)[C@@H]([N-]S(=O)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](C)O ZINC001201703634 841717136 /nfs/dbraw/zinc/71/71/36/841717136.db2.gz GWCFUXXPAZIZDA-MXWKQRLJSA-N -1 0 366.436 -0.162 20 0 FBADRM COC(=O)[C@@H]([N-]S(=O)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](C)O ZINC001201703635 841716892 /nfs/dbraw/zinc/71/68/92/841716892.db2.gz GWCFUXXPAZIZDA-VWYCJHECSA-N -1 0 366.436 -0.162 20 0 FBADRM COC(=O)C1([N-]S(=O)(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)COC1 ZINC001201707171 841716909 /nfs/dbraw/zinc/71/69/09/841716909.db2.gz KNUUHRJYHCQCIX-JTQLQIEISA-N -1 0 364.420 -0.143 20 0 FBADRM COC(=O)C1([N-]S(=O)(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)COC1 ZINC001201707172 841717093 /nfs/dbraw/zinc/71/70/93/841717093.db2.gz KNUUHRJYHCQCIX-SNVBAGLBSA-N -1 0 364.420 -0.143 20 0 FBADRM COC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](C)O ZINC001201715556 841716749 /nfs/dbraw/zinc/71/67/49/841716749.db2.gz GWCFUXXPAZIZDA-GMTAPVOTSA-N -1 0 366.436 -0.162 20 0 FBADRM COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](C)O ZINC001201715557 841717205 /nfs/dbraw/zinc/71/72/05/841717205.db2.gz GWCFUXXPAZIZDA-OUAUKWLOSA-N -1 0 366.436 -0.162 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cc2ccccc2[nH]c1=O ZINC001201752369 841717937 /nfs/dbraw/zinc/71/79/37/841717937.db2.gz FXWSVYHDTHFKQT-UHFFFAOYSA-N -1 0 364.343 -0.048 20 0 FBADRM COC(=O)c1cncc(S(=O)(=O)[N-]c2c(C(N)=O)c(C)nn2C)c1 ZINC001201838197 841719731 /nfs/dbraw/zinc/71/97/31/841719731.db2.gz DNGGUSOXYVDOAY-UHFFFAOYSA-N -1 0 353.360 -0.190 20 0 FBADRM CNC(=O)c1nccnc1[N-]S(=O)(=O)c1cncc(C(=O)OC)c1 ZINC001201843133 841719601 /nfs/dbraw/zinc/71/96/01/841719601.db2.gz CKYBADVYARUHBH-UHFFFAOYSA-N -1 0 351.344 -0.181 20 0 FBADRM COC(=O)c1cncc(S(=O)(=O)[N-]c2cc(N(C)CCO)ncn2)c1 ZINC001201843429 841719553 /nfs/dbraw/zinc/71/95/53/841719553.db2.gz BYZJPIDBCZPMAO-UHFFFAOYSA-N -1 0 367.387 -0.113 20 0 FBADRM COC(=O)c1cncc(S(=O)(=O)[N-]c2c(C)n(C)nc2C(N)=O)c1 ZINC001201843950 841719657 /nfs/dbraw/zinc/71/96/57/841719657.db2.gz QNEGEGVCHMNPJD-UHFFFAOYSA-N -1 0 353.360 -0.190 20 0 FBADRM COC(=O)c1cncc(S(=O)(=O)NCC[N-]C(=O)C(F)(F)F)c1 ZINC001201858673 841718726 /nfs/dbraw/zinc/71/87/26/841718726.db2.gz BJTVECGEGHCLBZ-UHFFFAOYSA-N -1 0 355.294 -0.175 20 0 FBADRM CCOC(=O)c1noc(C[N-]S(=O)(=O)c2cncc(C(=O)OC)c2)n1 ZINC001201859097 841718628 /nfs/dbraw/zinc/71/86/28/841718628.db2.gz RPKXKURLFPHXQP-UHFFFAOYSA-N -1 0 370.343 -0.094 20 0 FBADRM CCOC(=O)c1nnc(C[N-]S(=O)(=O)c2cncc(C(=O)OC)c2)o1 ZINC001201859521 841718855 /nfs/dbraw/zinc/71/88/55/841718855.db2.gz XRBPAQWODZUYLJ-UHFFFAOYSA-N -1 0 370.343 -0.094 20 0 FBADRM COC(=O)c1cncc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)OC)c1 ZINC001201862679 841718427 /nfs/dbraw/zinc/71/84/27/841718427.db2.gz INWDFCQYYDGEFG-JTQLQIEISA-N -1 0 360.344 -0.447 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]c1ncnc2c1ncn2C[C@@H](C)O ZINC001201905285 841720990 /nfs/dbraw/zinc/72/09/90/841720990.db2.gz NVACQABBUGGSPF-SECBINFHSA-N -1 0 357.392 -0.098 20 0 FBADRM COC(=O)CCCS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001201915936 841720722 /nfs/dbraw/zinc/72/07/22/841720722.db2.gz SJENRAIYPLENBG-UHFFFAOYSA-N -1 0 362.385 -0.186 20 0 FBADRM CCOC(=O)C[C@H](NS(=O)(=O)CCCC(=O)OC)C(=O)OCC ZINC001201916604 841720777 /nfs/dbraw/zinc/72/07/77/841720777.db2.gz BZCUCEVWPMJSTR-JTQLQIEISA-N -1 0 353.393 -0.256 20 0 FBADRM CCOC(=O)C[C@@H](NS(=O)(=O)CCCC(=O)OC)C(=O)OCC ZINC001201916605 841720747 /nfs/dbraw/zinc/72/07/47/841720747.db2.gz BZCUCEVWPMJSTR-SNVBAGLBSA-N -1 0 353.393 -0.256 20 0 FBADRM COC(=O)c1ccccc1NC(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001202689108 841779117 /nfs/dbraw/zinc/77/91/17/841779117.db2.gz BVAIVCQPTQMBSU-XVKPBYJWSA-N -1 0 357.344 -0.003 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc2c(c1)NC(=O)CO2 ZINC001203178223 843965613 /nfs/dbraw/zinc/96/56/13/843965613.db2.gz FULJCBBXSUDQQK-UHFFFAOYSA-N -1 0 368.331 -0.971 20 0 FBADRM CCc1nc(OC)ccc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001203585586 840476796 /nfs/dbraw/zinc/47/67/96/840476796.db2.gz FMQFRQZFHVESGA-UHFFFAOYSA-N -1 0 356.364 -0.336 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cnn(C2CCOCC2)c1 ZINC001203859781 843966042 /nfs/dbraw/zinc/96/60/42/843966042.db2.gz DWGLGQOTNIZTID-UHFFFAOYSA-N -1 0 371.379 -0.754 20 0 FBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC001203938956 843966805 /nfs/dbraw/zinc/96/68/05/843966805.db2.gz OUJZEZMSPHGGRL-GHMZBOCLSA-N -1 0 368.419 -0.124 20 0 FBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC001203938971 843966791 /nfs/dbraw/zinc/96/67/91/843966791.db2.gz OUJZEZMSPHGGRL-MNOVXSKESA-N -1 0 368.419 -0.124 20 0 FBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC001203938973 843966829 /nfs/dbraw/zinc/96/68/29/843966829.db2.gz OUJZEZMSPHGGRL-QWRGUYRKSA-N -1 0 368.419 -0.124 20 0 FBADRM Cc1[nH][nH]c(=O)c1CCNC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC001203938975 843966724 /nfs/dbraw/zinc/96/67/24/843966724.db2.gz OUJZEZMSPHGGRL-WDEREUQCSA-N -1 0 368.419 -0.124 20 0 FBADRM Cc1nn(C)c2ccc(-n3c(N)c(N)c(OS(=O)(=O)[O-])nc3=N)cc12 ZINC001204849004 843968789 /nfs/dbraw/zinc/96/87/89/843968789.db2.gz GEFWGJJMLPZYDH-UHFFFAOYSA-N -1 0 365.375 -0.107 20 0 FBADRM Cc1cc2cc(-n3c(=N)nc(OS(=O)(=O)[O-])c(N)c3N)cnc2[nH]1 ZINC001204903456 843968577 /nfs/dbraw/zinc/96/85/77/843968577.db2.gz BJEDTJUMRLKYDL-UHFFFAOYSA-N -1 0 351.348 -0.118 20 0 FBADRM CCn1[n-]nnc1=NC(=O)NCc1c(F)cccc1NS(C)(=O)=O ZINC001205244389 843969508 /nfs/dbraw/zinc/96/95/08/843969508.db2.gz BOLUHUJKWDWSPK-UHFFFAOYSA-N -1 0 357.371 -0.053 20 0 FBADRM CCn1[n-]nnc1=NC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC001205244876 843969225 /nfs/dbraw/zinc/96/92/25/843969225.db2.gz FTMGMEGFDXMQRJ-UHFFFAOYSA-N -1 0 353.408 -0.313 20 0 FBADRM CCn1[n-]nnc1=NC(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1 ZINC001205244885 843969450 /nfs/dbraw/zinc/96/94/50/843969450.db2.gz FTWFWSUOWMFPJK-UHFFFAOYSA-N -1 0 359.456 -0.313 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC001205244919 843969412 /nfs/dbraw/zinc/96/94/12/843969412.db2.gz GEKCIYWVVTVDJF-UHFFFAOYSA-N -1 0 367.435 -0.134 20 0 FBADRM CCOCCCNC(=O)C1CCN(C(=O)N=c2nn[n-]n2CC)CC1 ZINC001205244981 843969609 /nfs/dbraw/zinc/96/96/09/843969609.db2.gz HASPGEAJPVURMD-UHFFFAOYSA-N -1 0 353.427 -0.098 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001205246111 843969273 /nfs/dbraw/zinc/96/92/73/843969273.db2.gz UWCWFHHZGOVWIR-SECBINFHSA-N -1 0 353.408 -0.013 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001205246112 843969516 /nfs/dbraw/zinc/96/95/16/843969516.db2.gz UWCWFHHZGOVWIR-VIFPVBQESA-N -1 0 353.408 -0.013 20 0 FBADRM CCn1[n-]nnc1=NC(=O)NC[C@H](CO)Cc1ccc(OC)c(O)c1 ZINC001205246374 843969378 /nfs/dbraw/zinc/96/93/78/843969378.db2.gz XTHNZMLZHQXTAH-LLVKDONJSA-N -1 0 350.379 -0.198 20 0 FBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H](CO)Cc1ccc(OC)c(O)c1 ZINC001205246375 843969416 /nfs/dbraw/zinc/96/94/16/843969416.db2.gz XTHNZMLZHQXTAH-NSHDSACASA-N -1 0 350.379 -0.198 20 0 FBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001205252928 843969461 /nfs/dbraw/zinc/96/94/61/843969461.db2.gz DXJVQEXCCVWLNX-LLVKDONJSA-N -1 0 374.471 -0.809 20 0 FBADRM CCn1[n-]nnc1=NC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001205252931 843969599 /nfs/dbraw/zinc/96/95/99/843969599.db2.gz DXJVQEXCCVWLNX-NSHDSACASA-N -1 0 374.471 -0.809 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC001205253471 843969401 /nfs/dbraw/zinc/96/94/01/843969401.db2.gz OIWPUVJWYWHFCA-SSDOTTSWSA-N -1 0 353.774 -0.336 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC001205253472 843969573 /nfs/dbraw/zinc/96/95/73/843969573.db2.gz OIWPUVJWYWHFCA-ZETCQYMHSA-N -1 0 353.774 -0.336 20 0 FBADRM CCn1[n-]nnc1=NC(=O)NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC001205253587 843969428 /nfs/dbraw/zinc/96/94/28/843969428.db2.gz QCHOOKCQFIGCQT-UHFFFAOYSA-N -1 0 362.272 -0.739 20 0 FBADRM CCn1[n-]nnc1=NC(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC001205253685 843969395 /nfs/dbraw/zinc/96/93/95/843969395.db2.gz SILREDFDNDQSCE-UHFFFAOYSA-N -1 0 371.398 -0.304 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001205253870 843969146 /nfs/dbraw/zinc/96/91/46/843969146.db2.gz WDWDDIPVWAJFBM-JTQLQIEISA-N -1 0 357.415 -0.194 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001205253871 843969603 /nfs/dbraw/zinc/96/96/03/843969603.db2.gz WDWDDIPVWAJFBM-SNVBAGLBSA-N -1 0 357.415 -0.194 20 0 FBADRM COCOc1cc(C)ccc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001205447465 843970960 /nfs/dbraw/zinc/97/09/60/843970960.db2.gz UHLMSVKSZBVZFQ-UHFFFAOYSA-N -1 0 371.375 -0.011 20 0 FBADRM Cn1ccc2cc(-n3c(N)c(N)c(OS(=O)(=O)[O-])nc3=N)cnc21 ZINC001205679817 843973671 /nfs/dbraw/zinc/97/36/71/843973671.db2.gz KEKYYNDNRCDIDX-UHFFFAOYSA-N -1 0 351.348 -0.416 20 0 FBADRM Cc1c[nH]c2ncc(-n3c(=N)nc(OS(=O)(=O)[O-])c(N)c3N)cc12 ZINC001206029178 843980699 /nfs/dbraw/zinc/98/06/99/843980699.db2.gz UJCHERSPQDSKNI-UHFFFAOYSA-N -1 0 351.348 -0.118 20 0 FBADRM Cc1cc(N(C)C)ncc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001206723270 843995107 /nfs/dbraw/zinc/99/51/07/843995107.db2.gz MIUFDHWSMHGVPN-UHFFFAOYSA-N -1 0 355.380 -0.533 20 0 FBADRM CCOCCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001206874092 843997501 /nfs/dbraw/zinc/99/75/01/843997501.db2.gz DFDKLFDWUZVYEI-ZYHUDNBSSA-N -1 0 353.423 -0.373 20 0 FBADRM COCCCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001206874343 843997997 /nfs/dbraw/zinc/99/79/97/843997997.db2.gz OOVXSTBSCUXVOO-ZYHUDNBSSA-N -1 0 353.423 -0.373 20 0 FBADRM CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001206874356 843997902 /nfs/dbraw/zinc/99/79/02/843997902.db2.gz PARKJJQFTXNRQI-PSASIEDQSA-N -1 0 352.395 -0.680 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]2C)c1[O-] ZINC001206874537 843997982 /nfs/dbraw/zinc/99/79/82/843997982.db2.gz WMRKUVDHAIZWIX-MWLCHTKSSA-N -1 0 359.452 -0.635 20 0 FBADRM CCS(=O)(=O)NCCN1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001206876409 843998998 /nfs/dbraw/zinc/99/89/98/843998998.db2.gz AHNJUFXETZPNIE-MWLCHTKSSA-N -1 0 359.452 -0.587 20 0 FBADRM CNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001206876892 843999323 /nfs/dbraw/zinc/99/93/23/843999323.db2.gz PCIJLZAWNBGROL-FKTZTGRPSA-N -1 0 352.395 -0.682 20 0 FBADRM CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001206876893 843998498 /nfs/dbraw/zinc/99/84/98/843998498.db2.gz PCIJLZAWNBGROL-SZEHBUNVSA-N -1 0 352.395 -0.682 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CNC(=O)N1CCCC1 ZINC001206958948 844014096 /nfs/dbraw/zinc/01/40/96/844014096.db2.gz NIIIAIBFGGWLOH-GHMZBOCLSA-N -1 0 351.411 -0.748 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CC1(CS(C)(=O)=O)CC1 ZINC001206971329 844018696 /nfs/dbraw/zinc/01/86/96/844018696.db2.gz KEAFOTOOZILRGH-GHMZBOCLSA-N -1 0 371.463 -0.338 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CNC(=O)C1CCCC1 ZINC001207073820 844026056 /nfs/dbraw/zinc/02/60/56/844026056.db2.gz YVIVAZJFIKKJGC-ZYHUDNBSSA-N -1 0 350.423 -0.247 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCCNC(=O)C1CC1 ZINC001207337544 844039275 /nfs/dbraw/zinc/03/92/75/844039275.db2.gz TXVJKIITWGTOPJ-ZYHUDNBSSA-N -1 0 350.423 -0.247 20 0 FBADRM COCC1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)CCOCC1 ZINC001207405485 844042547 /nfs/dbraw/zinc/04/25/47/844042547.db2.gz JEMHWNRGLXQHKM-VXGBXAGGSA-N -1 0 353.423 -0.110 20 0 FBADRM Cc1cc(COCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)no1 ZINC001207677571 844055066 /nfs/dbraw/zinc/05/50/66/844055066.db2.gz MDOSHCWJJGLYRE-BXKDBHETSA-N -1 0 350.379 -0.040 20 0 FBADRM Cc1cc(COCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)on1 ZINC001207682492 844054448 /nfs/dbraw/zinc/05/44/48/844054448.db2.gz OOMCOBKVLSQTTN-BXKDBHETSA-N -1 0 350.379 -0.040 20 0 FBADRM CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001207731177 844060333 /nfs/dbraw/zinc/06/03/33/844060333.db2.gz WQQCUFQAVLCPIT-GHMZBOCLSA-N -1 0 359.452 -0.482 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CS(=O)(=O)C1CCCC1 ZINC001207733806 844060473 /nfs/dbraw/zinc/06/04/73/844060473.db2.gz IPCDJIVXNFVHPS-ZYHUDNBSSA-N -1 0 371.463 -0.196 20 0 FBADRM C[C@@H]1CN(Cc2nncs2)C[C@H]1NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001207771053 844062792 /nfs/dbraw/zinc/06/27/92/844062792.db2.gz DUBSMURVLDNDAI-NXEZZACHSA-N -1 0 367.435 -0.042 20 0 FBADRM C[C@@H]1CN(Cc2cnon2)C[C@H]1NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001207771276 844062962 /nfs/dbraw/zinc/06/29/62/844062962.db2.gz NNRSQZUOFGWIRA-MWLCHTKSSA-N -1 0 351.367 -0.511 20 0 FBADRM C[C@@H]1CN(Cc2cnns2)C[C@H]1NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001207771277 844062554 /nfs/dbraw/zinc/06/25/54/844062554.db2.gz NPAAHOMAAQNZBD-MWLCHTKSSA-N -1 0 367.435 -0.042 20 0 FBADRM C[C@@H]1CN(Cc2cnsn2)C[C@H]1NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001207771457 844062871 /nfs/dbraw/zinc/06/28/71/844062871.db2.gz UXCFUTGCMWDMMV-MWLCHTKSSA-N -1 0 367.435 -0.042 20 0 FBADRM CCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001207784005 844062535 /nfs/dbraw/zinc/06/25/35/844062535.db2.gz BGLAMEHZPCSTCY-GHMZBOCLSA-N -1 0 354.411 -0.958 20 0 FBADRM C[C@@H]1CN(Cc2csnn2)C[C@H]1NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001207784701 844062778 /nfs/dbraw/zinc/06/27/78/844062778.db2.gz RRMNHFWLMQIWGI-MWLCHTKSSA-N -1 0 367.435 -0.042 20 0 FBADRM C[C@@H]1CN(Cc2nncs2)C[C@H]1NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001207854440 844066619 /nfs/dbraw/zinc/06/66/19/844066619.db2.gz FVQOWDCYMCRYSN-PSASIEDQSA-N -1 0 365.419 -0.296 20 0 FBADRM C[C@@H]1CN(Cc2cnns2)C[C@H]1NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001207854469 844066596 /nfs/dbraw/zinc/06/65/96/844066596.db2.gz ICSADMCFQVWZHT-LDYMZIIASA-N -1 0 365.419 -0.296 20 0 FBADRM C[C@@H]1CN(Cc2cnsn2)C[C@H]1NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001207855115 844066813 /nfs/dbraw/zinc/06/68/13/844066813.db2.gz XXQAWCPFZOAEBA-LDYMZIIASA-N -1 0 365.419 -0.296 20 0 FBADRM C[C@@H]1CN(Cc2csnn2)C[C@H]1NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001207857566 844067213 /nfs/dbraw/zinc/06/72/13/844067213.db2.gz DKZBGPMIOWCEKN-LDYMZIIASA-N -1 0 365.419 -0.296 20 0 FBADRM CCCCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001207868010 844068012 /nfs/dbraw/zinc/06/80/12/844068012.db2.gz GXRWYKZJOIDTNW-NXEZZACHSA-N -1 0 352.395 -0.751 20 0 FBADRM C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001207868215 844067422 /nfs/dbraw/zinc/06/74/22/844067422.db2.gz LUDBKYSSANBEAG-RKDXNWHRSA-N -1 0 352.395 -0.752 20 0 FBADRM CC(C)N(C)C(=O)CN1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001207868321 844068123 /nfs/dbraw/zinc/06/81/23/844068123.db2.gz RPEKXACUBQYJNE-NXEZZACHSA-N -1 0 352.395 -0.800 20 0 FBADRM CC[C@H](C)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001207868362 844068217 /nfs/dbraw/zinc/06/82/17/844068217.db2.gz TZMPSJAREFATNI-KXUCPTDWSA-N -1 0 352.395 -0.752 20 0 FBADRM CC[C@@H](C)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001207868363 844067984 /nfs/dbraw/zinc/06/79/84/844067984.db2.gz TZMPSJAREFATNI-OPRDCNLKSA-N -1 0 352.395 -0.752 20 0 FBADRM CCN(CC)C(=O)CN1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001207868399 844067582 /nfs/dbraw/zinc/06/75/82/844067582.db2.gz VOAJNNIOWSKUNE-NXEZZACHSA-N -1 0 352.395 -0.799 20 0 FBADRM CCCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001207871069 844068477 /nfs/dbraw/zinc/06/84/77/844068477.db2.gz DELPATVESQCCBD-KXUCPTDWSA-N -1 0 352.395 -0.752 20 0 FBADRM CCCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001207871070 844068617 /nfs/dbraw/zinc/06/86/17/844068617.db2.gz DELPATVESQCCBD-OPRDCNLKSA-N -1 0 352.395 -0.752 20 0 FBADRM C[C@@H]1CN(CCOCC(F)(F)F)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001207871212 844068382 /nfs/dbraw/zinc/06/83/82/844068382.db2.gz GCRBIQIEALTHAN-HTQZYQBOSA-N -1 0 365.312 -0.088 20 0 FBADRM CC(C)CNC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001207871724 844068823 /nfs/dbraw/zinc/06/88/23/844068823.db2.gz ZOMMXYXUVHKXAD-NXEZZACHSA-N -1 0 352.395 -0.895 20 0 FBADRM Cc1nnc(COCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)s1 ZINC001207882169 844069623 /nfs/dbraw/zinc/06/96/23/844069623.db2.gz ZPRBYETZQAKZFB-PSASIEDQSA-N -1 0 367.435 -0.176 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]CC(=O)NCCOC ZINC001207926024 844071613 /nfs/dbraw/zinc/07/16/13/844071613.db2.gz AGJFRHRSMYESED-MRVPVSSYSA-N -1 0 364.342 -0.448 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CC(=O)NCCOC ZINC001207926025 844071111 /nfs/dbraw/zinc/07/11/11/844071111.db2.gz AGJFRHRSMYESED-QMMMGPOBSA-N -1 0 364.342 -0.448 20 0 FBADRM Cc1cnc(COCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)o1 ZINC001207960544 844073017 /nfs/dbraw/zinc/07/30/17/844073017.db2.gz FTUBWYKUPXGMMY-MWLCHTKSSA-N -1 0 350.379 -0.040 20 0 FBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001208266115 844084665 /nfs/dbraw/zinc/08/46/65/844084665.db2.gz JXNGANMEPFXWRX-GMTAPVOTSA-N -1 0 352.439 -0.002 20 0 FBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001208266117 844084364 /nfs/dbraw/zinc/08/43/64/844084364.db2.gz JXNGANMEPFXWRX-OUAUKWLOSA-N -1 0 352.439 -0.002 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCNC(=O)C(C)(C)C ZINC001208272934 844084451 /nfs/dbraw/zinc/08/44/51/844084451.db2.gz WKNBAMBVUJUKJH-GHMZBOCLSA-N -1 0 352.439 -0.001 20 0 FBADRM CCN(C)C(=O)CN1C[C@@H](C)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001208278329 844085892 /nfs/dbraw/zinc/08/58/92/844085892.db2.gz FINNCCYGEYCJNC-ZYHUDNBSSA-N -1 0 351.407 -0.986 20 0 FBADRM CC(C)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001208278581 844086507 /nfs/dbraw/zinc/08/65/07/844086507.db2.gz RJZWIKGUGRSSIM-ZYHUDNBSSA-N -1 0 351.407 -0.939 20 0 FBADRM CCCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001208278628 844086073 /nfs/dbraw/zinc/08/60/73/844086073.db2.gz UHNHFIWGLGUBJB-ZYHUDNBSSA-N -1 0 351.407 -0.938 20 0 FBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CCS(=O)(=O)NC1CC1 ZINC001208323600 844088680 /nfs/dbraw/zinc/08/86/80/844088680.db2.gz JNCDDDZWQNUAQJ-IBGZPJMESA-N -1 0 361.511 -0.201 20 0 FBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CCS(=O)(=O)NC1CC1 ZINC001208323601 844088573 /nfs/dbraw/zinc/08/85/73/844088573.db2.gz JNCDDDZWQNUAQJ-LJQANCHMSA-N -1 0 361.511 -0.201 20 0 FBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CCN1CCN(C(C)=O)CC1 ZINC001208351482 844090024 /nfs/dbraw/zinc/09/00/24/844090024.db2.gz WXOZFZUTSICRPR-UHFFFAOYSA-N -1 0 359.404 -0.491 20 0 FBADRM CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001209125561 844133284 /nfs/dbraw/zinc/13/32/84/844133284.db2.gz MYRBGZMVVWRQSM-NXEZZACHSA-N -1 0 353.427 -0.456 20 0 FBADRM Cc1nn(CCS(=O)(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c(=O)o1 ZINC001209280265 844139394 /nfs/dbraw/zinc/13/93/94/844139394.db2.gz YVDIKLJPJLHFAW-CYBMUJFWSA-N -1 0 366.399 -0.130 20 0 FBADRM Cc1nn(CCS(=O)(=O)N[C@H]2CCN(c3ccccc3)C2=O)c(=O)o1 ZINC001209280268 844139546 /nfs/dbraw/zinc/13/95/46/844139546.db2.gz YVDIKLJPJLHFAW-ZDUSSCGKSA-N -1 0 366.399 -0.130 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCNC(=O)C1CCC1 ZINC001209398790 844145543 /nfs/dbraw/zinc/14/55/43/844145543.db2.gz LXCMPJNICFHQMQ-ZYHUDNBSSA-N -1 0 350.423 -0.247 20 0 FBADRM CC(=O)NC1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)CCCC1 ZINC001209414637 844146182 /nfs/dbraw/zinc/14/61/82/844146182.db2.gz QQNSYRUTHQAQPR-ZYHUDNBSSA-N -1 0 350.423 -0.104 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C1(S(C)(=O)=O)CCCC1 ZINC001209446186 844147650 /nfs/dbraw/zinc/14/76/50/844147650.db2.gz BVNLVLJFFXUQET-GHMZBOCLSA-N -1 0 371.463 -0.196 20 0 FBADRM O=C1CNC(=O)N1CC[N-]S(=O)(=O)c1occc1Br ZINC001209488730 844151232 /nfs/dbraw/zinc/15/12/32/844151232.db2.gz LQBZVEXGBYCGCN-UHFFFAOYSA-N -1 0 352.166 -0.128 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]CCN2C(=O)CNC2=O)oc1Cl ZINC001209489703 844151179 /nfs/dbraw/zinc/15/11/79/844151179.db2.gz ULBMHIRJFRBJDN-UHFFFAOYSA-N -1 0 365.751 -0.450 20 0 FBADRM CC(C)CCC(=O)NCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001209553565 844153809 /nfs/dbraw/zinc/15/38/09/844153809.db2.gz FHHXIDMZCYVFLK-VXGBXAGGSA-N -1 0 352.439 -0.001 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc2c(c1)OCCN2 ZINC001209714814 844158835 /nfs/dbraw/zinc/15/88/35/844158835.db2.gz ZZPFCZWJUXXGKA-UHFFFAOYSA-N -1 0 354.348 -0.498 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc2c(c1)NCCO2 ZINC001209794559 844161971 /nfs/dbraw/zinc/16/19/71/844161971.db2.gz CWHWERXCVUTHGN-UHFFFAOYSA-N -1 0 354.348 -0.498 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C(=O)NCC(F)(F)F ZINC001209823513 844162924 /nfs/dbraw/zinc/16/29/24/844162924.db2.gz MLCISWXBKSZXJV-RNFRBKRXSA-N -1 0 350.301 -0.875 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CC(=O)NCC(F)(F)F ZINC001209877177 844166249 /nfs/dbraw/zinc/16/62/49/844166249.db2.gz MBHZMYCHLWGSPQ-HTQZYQBOSA-N -1 0 364.328 -0.485 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C1(S(C)(=O)=O)CCC1 ZINC001209904017 844166869 /nfs/dbraw/zinc/16/68/69/844166869.db2.gz FFLDSLDWKGCNCM-NXEZZACHSA-N -1 0 357.436 -0.586 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ncc[n-]3)CC2)cn1 ZINC001209998960 844171086 /nfs/dbraw/zinc/17/10/86/844171086.db2.gz HIDGCUKFYONIAU-UHFFFAOYSA-N -1 0 374.448 -0.725 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc2c(c1)OCCCO2 ZINC001209999541 844171417 /nfs/dbraw/zinc/17/14/17/844171417.db2.gz QPVFFYRALCSZBW-UHFFFAOYSA-N -1 0 369.359 -0.141 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc(OCC2CC2)nc1 ZINC001210009724 844171291 /nfs/dbraw/zinc/17/12/91/844171291.db2.gz IQKYMQVPVYTKLT-UHFFFAOYSA-N -1 0 368.375 -0.118 20 0 FBADRM COc1ccc(C(C)=O)cc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001210075529 844173775 /nfs/dbraw/zinc/17/37/75/844173775.db2.gz JRMUCRLHNSJPGG-UHFFFAOYSA-N -1 0 369.359 -0.091 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CNC(=O)c1cscn1 ZINC001210098086 844174928 /nfs/dbraw/zinc/17/49/28/844174928.db2.gz GTYHEXBIPSTSEQ-RKDXNWHRSA-N -1 0 365.419 -0.667 20 0 FBADRM Cc1cc2n[nH]cc2cc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001210100459 844174746 /nfs/dbraw/zinc/17/47/46/844174746.db2.gz ORCWKIAOPJTUMC-UHFFFAOYSA-N -1 0 351.348 -0.118 20 0 FBADRM CC(=O)N[C@](C)(C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C)C1CC1 ZINC001210243240 844180960 /nfs/dbraw/zinc/18/09/60/844180960.db2.gz GREPZPYOIUYICD-ULMHFPJVSA-N -1 0 350.423 -0.248 20 0 FBADRM CC(=O)N[C@@](C)(C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C)C1CC1 ZINC001210243241 844181160 /nfs/dbraw/zinc/18/11/60/844181160.db2.gz GREPZPYOIUYICD-VYROHLMNSA-N -1 0 350.423 -0.248 20 0 FBADRM C[C@@H](CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C)N1CCCC1=O ZINC001210275702 844182418 /nfs/dbraw/zinc/18/24/18/844182418.db2.gz DHPUQJSEDJAHKH-GRYCIOLGSA-N -1 0 350.423 -0.152 20 0 FBADRM C[C@H](CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C)N1CCCC1=O ZINC001210275706 844182320 /nfs/dbraw/zinc/18/23/20/844182320.db2.gz DHPUQJSEDJAHKH-IJLUTSLNSA-N -1 0 350.423 -0.152 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CS(=O)(=O)C(C)(C)C ZINC001210291124 844182506 /nfs/dbraw/zinc/18/25/06/844182506.db2.gz SHBLPPCOPILRDI-NXEZZACHSA-N -1 0 359.452 -0.340 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc(-n2ccnn2)cc1 ZINC001210293605 844182220 /nfs/dbraw/zinc/18/22/20/844182220.db2.gz DVBRMUZWNCPKAI-UHFFFAOYSA-N -1 0 364.347 -0.722 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001210306728 844183465 /nfs/dbraw/zinc/18/34/65/844183465.db2.gz AFFLPARHOBZZLW-FXPVBKGRSA-N -1 0 353.427 -0.470 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001210306739 844183738 /nfs/dbraw/zinc/18/37/38/844183738.db2.gz AFFLPARHOBZZLW-KKZNHRDASA-N -1 0 353.427 -0.470 20 0 FBADRM COc1cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c(OC)cn1 ZINC001210307080 844183778 /nfs/dbraw/zinc/18/37/78/844183778.db2.gz IFRPODZFQKHRSU-UHFFFAOYSA-N -1 0 358.336 -0.890 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cccc2c1OCCO2 ZINC001210367238 844186472 /nfs/dbraw/zinc/18/64/72/844186472.db2.gz ZADFDJYJMFULLU-UHFFFAOYSA-N -1 0 355.332 -0.531 20 0 FBADRM COc1ncc(Cl)cc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001210452513 844187854 /nfs/dbraw/zinc/18/78/54/844187854.db2.gz ZYYJYRKLPKEMKW-UHFFFAOYSA-N -1 0 362.755 -0.245 20 0 FBADRM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001210455242 844188876 /nfs/dbraw/zinc/18/88/76/844188876.db2.gz XEQDYJRHULKMJT-KGYLQXTDSA-N -1 0 352.439 -0.002 20 0 FBADRM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001210461912 844188531 /nfs/dbraw/zinc/18/85/31/844188531.db2.gz XEQDYJRHULKMJT-RAIGVLPGSA-N -1 0 352.439 -0.002 20 0 FBADRM CC[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)C(=O)N1CCOCC1 ZINC001210462757 844188756 /nfs/dbraw/zinc/18/87/56/844188756.db2.gz QLLIDQFDUIVRMF-LLVKDONJSA-N -1 0 353.466 -0.280 20 0 FBADRM CC[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)C(=O)N1CCOCC1 ZINC001210462761 844189160 /nfs/dbraw/zinc/18/91/60/844189160.db2.gz QLLIDQFDUIVRMF-NSHDSACASA-N -1 0 353.466 -0.280 20 0 FBADRM CC[C@@H]([N-]S(=O)(=O)c1occc1C(=O)OC)C(=O)N1CCOCC1 ZINC001210463144 844188504 /nfs/dbraw/zinc/18/85/04/844188504.db2.gz XVRBIRYZDFPXMY-LLVKDONJSA-N -1 0 360.388 -0.018 20 0 FBADRM CC[C@H]([N-]S(=O)(=O)c1occc1C(=O)OC)C(=O)N1CCOCC1 ZINC001210463145 844188453 /nfs/dbraw/zinc/18/84/53/844188453.db2.gz XVRBIRYZDFPXMY-NSHDSACASA-N -1 0 360.388 -0.018 20 0 FBADRM COCOc1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c(C)c1 ZINC001210490596 844190057 /nfs/dbraw/zinc/19/00/57/844190057.db2.gz WHZPMTPJSHOXAW-UHFFFAOYSA-N -1 0 371.375 -0.011 20 0 FBADRM COc1cc(F)c(F)cc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001210546335 844191558 /nfs/dbraw/zinc/19/15/58/844191558.db2.gz KOJKLJRKZNXUFF-UHFFFAOYSA-N -1 0 363.302 -0.015 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cncc(N2CCCC2)c1 ZINC001210608160 844192666 /nfs/dbraw/zinc/19/26/66/844192666.db2.gz HLNAIPLVGISZQA-UHFFFAOYSA-N -1 0 367.391 -0.307 20 0 FBADRM CC(C)(O)c1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1 ZINC001210618116 844192580 /nfs/dbraw/zinc/19/25/80/844192580.db2.gz WRWWOWWSMVDZLA-UHFFFAOYSA-N -1 0 355.376 -0.075 20 0 FBADRM CC[C@@H](C)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001210619180 844192740 /nfs/dbraw/zinc/19/27/40/844192740.db2.gz ASGKSPUNDYGKRI-GMTAPVOTSA-N -1 0 354.411 -0.960 20 0 FBADRM CC[C@H](C)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001210619184 844193245 /nfs/dbraw/zinc/19/32/45/844193245.db2.gz ASGKSPUNDYGKRI-OUAUKWLOSA-N -1 0 354.411 -0.960 20 0 FBADRM C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001210619446 844193184 /nfs/dbraw/zinc/19/31/84/844193184.db2.gz FVGJNTAHDVBWEH-NXEZZACHSA-N -1 0 354.411 -0.960 20 0 FBADRM CCCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001210620710 844192974 /nfs/dbraw/zinc/19/29/74/844192974.db2.gz WJOPKNMAGLQZGD-GMTAPVOTSA-N -1 0 354.411 -0.960 20 0 FBADRM CCCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001210620711 844193258 /nfs/dbraw/zinc/19/32/58/844193258.db2.gz WJOPKNMAGLQZGD-OUAUKWLOSA-N -1 0 354.411 -0.960 20 0 FBADRM CCCCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001210620876 844193150 /nfs/dbraw/zinc/19/31/50/844193150.db2.gz ZBZISOVVLNADCB-GHMZBOCLSA-N -1 0 354.411 -0.958 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccccc1-n1cccn1 ZINC001210729308 844197789 /nfs/dbraw/zinc/19/77/89/844197789.db2.gz OKWXEROVXCCHOU-UHFFFAOYSA-N -1 0 363.359 -0.117 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccnc(OC2CC2)c1 ZINC001210747129 844197585 /nfs/dbraw/zinc/19/75/85/844197585.db2.gz FMGVAQHDXLPJJW-UHFFFAOYSA-N -1 0 354.348 -0.366 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CNC(=O)c1cccs1 ZINC001210777366 844197808 /nfs/dbraw/zinc/19/78/08/844197808.db2.gz AFJBEHWEVBABPM-NXEZZACHSA-N -1 0 364.431 -0.062 20 0 FBADRM CS(=O)(=O)Cn1cc(Nc2ccc(S(=O)(=O)[N-]C(N)=O)cc2)cn1 ZINC001210790374 844199169 /nfs/dbraw/zinc/19/91/69/844199169.db2.gz KGROIVDQNPLNPB-UHFFFAOYSA-N -1 0 373.416 -0.014 20 0 FBADRM COc1c(F)cc(F)cc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001210866537 844200336 /nfs/dbraw/zinc/20/03/36/844200336.db2.gz RFQUUQHANQWMOO-UHFFFAOYSA-N -1 0 363.302 -0.015 20 0 FBADRM CCc1[nH]nc2ncc(-n3c(N)c(N)c(OS(=O)(=O)[O-])nc3=N)cc21 ZINC001210880756 844200347 /nfs/dbraw/zinc/20/03/47/844200347.db2.gz MDJURVJJCSLXAX-UHFFFAOYSA-N -1 0 366.363 -0.469 20 0 FBADRM NC(=O)[N-]S(=O)(=O)c1ccc(Nc2cnc(NCCO)nc2)cc1 ZINC001210902661 844202970 /nfs/dbraw/zinc/20/29/70/844202970.db2.gz UCLZKBZJJQHOID-UHFFFAOYSA-N -1 0 352.376 -0.019 20 0 FBADRM COc1ncc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1Cl ZINC001211047152 844209758 /nfs/dbraw/zinc/20/97/58/844209758.db2.gz WNQHCWPXVLWUAT-UHFFFAOYSA-N -1 0 362.755 -0.245 20 0 FBADRM COc1nccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1OC ZINC001211085729 844216279 /nfs/dbraw/zinc/21/62/79/844216279.db2.gz DLIXXWDCTIEDLV-UHFFFAOYSA-N -1 0 358.336 -0.890 20 0 FBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CS(=O)(=O)c2ccccc21 ZINC001211118142 844218562 /nfs/dbraw/zinc/21/85/62/844218562.db2.gz NUABLXJZRQOPDN-CFMSYZGJSA-N -1 0 367.474 -0.076 20 0 FBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1CS(=O)(=O)c2ccccc21 ZINC001211118149 844219122 /nfs/dbraw/zinc/21/91/22/844219122.db2.gz NUABLXJZRQOPDN-FVINQWEUSA-N -1 0 367.474 -0.076 20 0 FBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CS(=O)(=O)c2ccccc21 ZINC001211118151 844218440 /nfs/dbraw/zinc/21/84/40/844218440.db2.gz NUABLXJZRQOPDN-SBKAZYGRSA-N -1 0 367.474 -0.076 20 0 FBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CS(=O)(=O)c2ccccc21 ZINC001211118154 844218856 /nfs/dbraw/zinc/21/88/56/844218856.db2.gz NUABLXJZRQOPDN-WVDJIFEKSA-N -1 0 367.474 -0.076 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CNC(=O)CC(C)(C)C ZINC001211128196 844218551 /nfs/dbraw/zinc/21/85/51/844218551.db2.gz NESOQWZTIGQJCI-GHMZBOCLSA-N -1 0 352.439 -0.001 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CNC(=O)c1ccsc1 ZINC001211133697 844218967 /nfs/dbraw/zinc/21/89/67/844218967.db2.gz JHCLLYMZBNWJJB-MWLCHTKSSA-N -1 0 364.431 -0.062 20 0 FBADRM CC[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C)N1CCCC1=O ZINC001211134439 844218789 /nfs/dbraw/zinc/21/87/89/844218789.db2.gz URUVBGJZIZHICZ-IJLUTSLNSA-N -1 0 350.423 -0.152 20 0 FBADRM CC[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C)N1CCCC1=O ZINC001211134440 844219149 /nfs/dbraw/zinc/21/91/49/844219149.db2.gz URUVBGJZIZHICZ-UTUOFQBUSA-N -1 0 350.423 -0.152 20 0 FBADRM COC(=O)c1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1C ZINC001211169279 844219623 /nfs/dbraw/zinc/21/96/23/844219623.db2.gz VXYPIDQHYRUWIX-UHFFFAOYSA-N -1 0 369.359 -0.207 20 0 FBADRM COC(=O)c1cc(C)cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001211174819 836003417 /nfs/dbraw/zinc/00/34/17/836003417.db2.gz BYHRQNCDEAWNNK-UHFFFAOYSA-N -1 0 369.359 -0.207 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C1=CCN(C(=O)C2CC2)CC1 ZINC001211181819 844220025 /nfs/dbraw/zinc/22/00/25/844220025.db2.gz ZXQWWQBOPZHLGG-UHFFFAOYSA-N -1 0 370.391 -0.808 20 0 FBADRM CCOC(=O)c1cccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001211204217 844220924 /nfs/dbraw/zinc/22/09/24/844220924.db2.gz RJQCMHTVOIQKDW-UHFFFAOYSA-N -1 0 369.359 -0.126 20 0 FBADRM CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001211212325 844221233 /nfs/dbraw/zinc/22/12/33/844221233.db2.gz WJCBAHFIIVDHNL-SVBLFDIKSA-N -1 0 352.439 -0.002 20 0 FBADRM C[C@@H](C(N)=O)N1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1 ZINC001211261487 844222035 /nfs/dbraw/zinc/22/20/35/844222035.db2.gz AYXIGZFVVZWVCT-HRDYMLBCSA-N -1 0 352.357 -0.246 20 0 FBADRM C[C@H](C(N)=O)N1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1 ZINC001211261488 844222301 /nfs/dbraw/zinc/22/23/01/844222301.db2.gz AYXIGZFVVZWVCT-IWSPIJDZSA-N -1 0 352.357 -0.246 20 0 FBADRM C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001211261631 844222062 /nfs/dbraw/zinc/22/20/62/844222062.db2.gz JIDUJGKLPXMEJZ-BBBLOLIVSA-N -1 0 364.368 -0.232 20 0 FBADRM C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001211261632 844223226 /nfs/dbraw/zinc/22/32/26/844223226.db2.gz JIDUJGKLPXMEJZ-OPRDCNLKSA-N -1 0 364.368 -0.232 20 0 FBADRM C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001211262130 844222999 /nfs/dbraw/zinc/22/29/99/844222999.db2.gz SVSGBXPSOJDXIZ-NXEZZACHSA-N -1 0 366.384 -0.032 20 0 FBADRM CNC(=O)CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1 ZINC001211262427 844223122 /nfs/dbraw/zinc/22/31/22/844223122.db2.gz YWAXZNSIGFDUKI-RKDXNWHRSA-N -1 0 352.357 -0.374 20 0 FBADRM COC(=O)c1ccc(F)cc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001211341822 844227345 /nfs/dbraw/zinc/22/73/45/844227345.db2.gz JCLUNAXQPXHYGN-UHFFFAOYSA-N -1 0 373.322 -0.377 20 0 FBADRM NS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)c2cc([O-])cc(F)c2)C1 ZINC001211368434 844230473 /nfs/dbraw/zinc/23/04/73/844230473.db2.gz BNQGUFWGIMOFFT-SECBINFHSA-N -1 0 367.424 -0.275 20 0 FBADRM NS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cc([O-])cc(F)c2)C1 ZINC001211368435 844230400 /nfs/dbraw/zinc/23/04/00/844230400.db2.gz BNQGUFWGIMOFFT-VIFPVBQESA-N -1 0 367.424 -0.275 20 0 FBADRM CCOC(=O)CCS(=O)(=O)[N-][C@H](CO)C(=O)OCc1ccccc1 ZINC001211375553 844229895 /nfs/dbraw/zinc/22/98/95/844229895.db2.gz KEYUFCMUYWAJST-CYBMUJFWSA-N -1 0 359.400 -0.037 20 0 FBADRM CCOC(=O)CCS(=O)(=O)[N-][C@@H](CO)C(=O)OCc1ccccc1 ZINC001211375555 844231010 /nfs/dbraw/zinc/23/10/10/844231010.db2.gz KEYUFCMUYWAJST-ZDUSSCGKSA-N -1 0 359.400 -0.037 20 0 FBADRM O=C(OCc1ccccc1)[C@H](CO)[N-]S(=O)(=O)CCn1cccn1 ZINC001211375967 844230123 /nfs/dbraw/zinc/23/01/23/844230123.db2.gz PEEJKZFRUZMHTN-AWEZNQCLSA-N -1 0 353.400 -0.093 20 0 FBADRM O=C(OCc1ccccc1)[C@@H](CO)[N-]S(=O)(=O)CCn1cccn1 ZINC001211375982 844229885 /nfs/dbraw/zinc/22/98/85/844229885.db2.gz PEEJKZFRUZMHTN-CQSZACIVSA-N -1 0 353.400 -0.093 20 0 FBADRM Cc1nc(CS(=O)(=O)[N-][C@H](CO)C(=O)OCc2ccccc2)no1 ZINC001211376236 844229904 /nfs/dbraw/zinc/22/99/04/844229904.db2.gz QREGJXQTYSBMOV-GFCCVEGCSA-N -1 0 355.372 -0.098 20 0 FBADRM Cc1nc(CS(=O)(=O)[N-][C@@H](CO)C(=O)OCc2ccccc2)no1 ZINC001211376251 844230055 /nfs/dbraw/zinc/23/00/55/844230055.db2.gz QREGJXQTYSBMOV-LBPRGKRZSA-N -1 0 355.372 -0.098 20 0 FBADRM CCCCS(=O)(=O)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001211391387 844233470 /nfs/dbraw/zinc/23/34/70/844233470.db2.gz QIUQVRWGVXYJBJ-GHMZBOCLSA-N -1 0 359.452 -0.338 20 0 FBADRM CC(=O)N[C@@](C)(C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C)C(C)C ZINC001211407161 844234298 /nfs/dbraw/zinc/23/42/98/844234298.db2.gz YWENPNZNKJERQS-NSODJVPESA-N -1 0 352.439 -0.002 20 0 FBADRM CC(=O)N[C@](C)(C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C)C(C)C ZINC001211407162 844233970 /nfs/dbraw/zinc/23/39/70/844233970.db2.gz YWENPNZNKJERQS-SIVJFFJCSA-N -1 0 352.439 -0.002 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C(C)(C)CS(C)(=O)=O ZINC001211418643 844234206 /nfs/dbraw/zinc/23/42/06/844234206.db2.gz OONZFBUYNJKTPM-NXEZZACHSA-N -1 0 359.452 -0.482 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](S(C)(=O)=O)C2)n[nH]1 ZINC001211438424 844236249 /nfs/dbraw/zinc/23/62/49/844236249.db2.gz FHEGAKFLGUPEEG-MRVPVSSYSA-N -1 0 351.406 -0.606 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](S(C)(=O)=O)C2)n[nH]1 ZINC001211438425 844236155 /nfs/dbraw/zinc/23/61/55/844236155.db2.gz FHEGAKFLGUPEEG-QMMMGPOBSA-N -1 0 351.406 -0.606 20 0 FBADRM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)CCS(=O)(=O)N(C)C ZINC001211448463 844237000 /nfs/dbraw/zinc/23/70/00/844237000.db2.gz JNRKHDAYDWURME-SSDOTTSWSA-N -1 0 370.371 -0.709 20 0 FBADRM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)CCS(=O)(=O)N(C)C ZINC001211448464 844237152 /nfs/dbraw/zinc/23/71/52/844237152.db2.gz JNRKHDAYDWURME-ZETCQYMHSA-N -1 0 370.371 -0.709 20 0 FBADRM CC(C)CC(=O)NCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001211471453 844240899 /nfs/dbraw/zinc/24/08/99/844240899.db2.gz XZYZHRBWECSVHW-VXGBXAGGSA-N -1 0 352.439 -0.001 20 0 FBADRM CC(=O)N[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C)C(C)(C)C ZINC001211475878 844241402 /nfs/dbraw/zinc/24/14/02/844241402.db2.gz LNZAFIANESNRSU-IRUJWGPZSA-N -1 0 352.439 -0.002 20 0 FBADRM C[C@@H](NC(=O)C1CCC1)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001211478608 844240679 /nfs/dbraw/zinc/24/06/79/844240679.db2.gz ZCAHNKHTCUAPPL-CKYFFXLPSA-N -1 0 350.423 -0.248 20 0 FBADRM C[C@H](NC(=O)C1CCC1)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001211478609 844240470 /nfs/dbraw/zinc/24/04/70/844240470.db2.gz ZCAHNKHTCUAPPL-JFGNBEQYSA-N -1 0 350.423 -0.248 20 0 FBADRM COC(=O)c1ccc(OC)cc1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O ZINC001211479391 844240765 /nfs/dbraw/zinc/24/07/65/844240765.db2.gz AOQBCLOIEGNSAT-UHFFFAOYSA-N -1 0 357.344 -0.431 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)oc1Cl ZINC001211479862 844241390 /nfs/dbraw/zinc/24/13/90/844241390.db2.gz ICTQWRHTQXCDMS-UHFFFAOYSA-N -1 0 351.724 -0.193 20 0 FBADRM CCOC(=O)[C@@H]([N-]S(=O)(=O)C(COC)COC)[C@H]1CCCOC1 ZINC001211480638 844241800 /nfs/dbraw/zinc/24/18/00/844241800.db2.gz WVSNIKMTGHFICU-AAEUAGOBSA-N -1 0 353.437 -0.075 20 0 FBADRM CCOC(=O)[C@H]([N-]S(=O)(=O)C(COC)COC)[C@@H]1CCCOC1 ZINC001211480643 844241982 /nfs/dbraw/zinc/24/19/82/844241982.db2.gz WVSNIKMTGHFICU-DGCLKSJQSA-N -1 0 353.437 -0.075 20 0 FBADRM CCOC(=O)[C@H]([N-]S(=O)(=O)C(COC)COC)[C@H]1CCCOC1 ZINC001211480644 844242241 /nfs/dbraw/zinc/24/22/41/844242241.db2.gz WVSNIKMTGHFICU-WCQYABFASA-N -1 0 353.437 -0.075 20 0 FBADRM CCOC(=O)[C@@H]([N-]S(=O)(=O)C(COC)COC)[C@@H]1CCCOC1 ZINC001211480645 844242898 /nfs/dbraw/zinc/24/28/98/844242898.db2.gz WVSNIKMTGHFICU-YPMHNXCESA-N -1 0 353.437 -0.075 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001211499881 835976822 /nfs/dbraw/zinc/97/68/22/835976822.db2.gz VRTMNXJRSLNEAO-GLKRBJQHSA-N -1 0 350.423 -0.104 20 0 FBADRM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001211499882 835977337 /nfs/dbraw/zinc/97/73/37/835977337.db2.gz VRTMNXJRSLNEAO-UVWXRNBGSA-N -1 0 350.423 -0.104 20 0 FBADRM CC(C)NS(=O)(=O)NCCNS(=O)(=O)c1cc([O-])cc(F)c1 ZINC001211501923 835978427 /nfs/dbraw/zinc/97/84/27/835978427.db2.gz CJCMFXGJTVYPRY-UHFFFAOYSA-N -1 0 355.413 -0.358 20 0 FBADRM CCC(CC)C(=O)NCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001211504463 836005393 /nfs/dbraw/zinc/00/53/93/836005393.db2.gz ZLFFXLYCFHFUEH-ZYHUDNBSSA-N -1 0 352.439 -0.001 20 0 FBADRM COc1ccc(CO)cc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001211519051 836013739 /nfs/dbraw/zinc/01/37/39/836013739.db2.gz GMVLECJRGWMBPA-UHFFFAOYSA-N -1 0 357.348 -0.801 20 0 FBADRM COCOc1ccccc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001211556745 836026289 /nfs/dbraw/zinc/02/62/89/836026289.db2.gz UTXXWPYETUPMNO-UHFFFAOYSA-N -1 0 357.348 -0.320 20 0 FBADRM O=S(=O)(N=S1(=O)CCCC1)[N-]CC1(OCCO)CCOCC1 ZINC001211622192 836039263 /nfs/dbraw/zinc/03/92/63/836039263.db2.gz NFZLHAFVYLSMRP-UHFFFAOYSA-N -1 0 356.466 -0.359 20 0 FBADRM COCOc1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1 ZINC001211631698 836042925 /nfs/dbraw/zinc/04/29/25/836042925.db2.gz ZHHDJVDMLGDTLL-UHFFFAOYSA-N -1 0 357.348 -0.320 20 0 FBADRM COC(=O)C1(NS(=O)(=O)C[C@H]2CCOC2)CCS(=O)(=O)CC1 ZINC001211643508 836048110 /nfs/dbraw/zinc/04/81/10/836048110.db2.gz IBUWFEGTAYKWPY-JTQLQIEISA-N -1 0 355.434 -0.937 20 0 FBADRM COC(=O)C1(NS(=O)(=O)C[C@@H]2CCOC2)CCS(=O)(=O)CC1 ZINC001211643509 836047455 /nfs/dbraw/zinc/04/74/55/836047455.db2.gz IBUWFEGTAYKWPY-SNVBAGLBSA-N -1 0 355.434 -0.937 20 0 FBADRM COC(=O)C1(NS(=O)(=O)C2CCC(=O)CC2)CCS(=O)(=O)CC1 ZINC001211643533 836048408 /nfs/dbraw/zinc/04/84/08/836048408.db2.gz IVQLSOFMKLKRCC-UHFFFAOYSA-N -1 0 367.445 -0.462 20 0 FBADRM COC(=O)CNC(=O)C[N-]S(=O)(=O)c1occc1Br ZINC001211669849 836089107 /nfs/dbraw/zinc/08/91/07/836089107.db2.gz OESALBNCSGNYCO-UHFFFAOYSA-N -1 0 355.166 -0.390 20 0 FBADRM COc1c(F)cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1F ZINC001211677129 836089481 /nfs/dbraw/zinc/08/94/81/836089481.db2.gz RTQLTXUOICOPPA-UHFFFAOYSA-N -1 0 363.302 -0.015 20 0 FBADRM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)N=S(=O)(CC)CC ZINC001211685478 836090776 /nfs/dbraw/zinc/09/07/76/836090776.db2.gz BGEKAIPNYIZMCZ-NXEZZACHSA-N -1 0 371.481 -0.215 20 0 FBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)N=S(=O)(CC)CC ZINC001211685479 836090645 /nfs/dbraw/zinc/09/06/45/836090645.db2.gz BGEKAIPNYIZMCZ-UWVGGRQHSA-N -1 0 371.481 -0.215 20 0 FBADRM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)N=S(=O)(CC)CC ZINC001211685480 836090701 /nfs/dbraw/zinc/09/07/01/836090701.db2.gz BGEKAIPNYIZMCZ-VHSXEESVSA-N -1 0 371.481 -0.215 20 0 FBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)N=S(=O)(CC)CC ZINC001211685481 836090534 /nfs/dbraw/zinc/09/05/34/836090534.db2.gz BGEKAIPNYIZMCZ-ZJUUUORDSA-N -1 0 371.481 -0.215 20 0 FBADRM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001211686376 836090677 /nfs/dbraw/zinc/09/06/77/836090677.db2.gz ONBNCFQLKBVXSD-NXEZZACHSA-N -1 0 369.465 -0.461 20 0 FBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001211686377 836090755 /nfs/dbraw/zinc/09/07/55/836090755.db2.gz ONBNCFQLKBVXSD-UWVGGRQHSA-N -1 0 369.465 -0.461 20 0 FBADRM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001211686378 836090601 /nfs/dbraw/zinc/09/06/01/836090601.db2.gz ONBNCFQLKBVXSD-VHSXEESVSA-N -1 0 369.465 -0.461 20 0 FBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001211686379 836090558 /nfs/dbraw/zinc/09/05/58/836090558.db2.gz ONBNCFQLKBVXSD-ZJUUUORDSA-N -1 0 369.465 -0.461 20 0 FBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1noc(C(F)(F)F)n1 ZINC001211702545 836093592 /nfs/dbraw/zinc/09/35/92/836093592.db2.gz VACUWRBMCXLJDZ-FQEVSTJZSA-N -1 0 351.332 -0.003 20 0 FBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]Cc1noc(C(F)(F)F)n1 ZINC001211702546 836093404 /nfs/dbraw/zinc/09/34/04/836093404.db2.gz VACUWRBMCXLJDZ-HXUWFJFHSA-N -1 0 351.332 -0.003 20 0 FBADRM COc1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c(CO)c1 ZINC001211737730 836102548 /nfs/dbraw/zinc/10/25/48/836102548.db2.gz RJPWEXDDQASRAI-UHFFFAOYSA-N -1 0 357.348 -0.801 20 0 FBADRM CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC001211788619 836109612 /nfs/dbraw/zinc/10/96/12/836109612.db2.gz SAQVBPMOZGBQAK-UHFFFAOYSA-N -1 0 365.433 -0.459 20 0 FBADRM CN(C)S(=O)(=O)C[C@H](NS(=O)(=O)c1ncc[n-]1)C(F)(F)F ZINC001211819640 836114942 /nfs/dbraw/zinc/11/49/42/836114942.db2.gz RTFKEGOOXHWTBI-LURJTMIESA-N -1 0 350.344 -0.490 20 0 FBADRM CN(C)S(=O)(=O)C[C@@H](NS(=O)(=O)c1ncc[n-]1)C(F)(F)F ZINC001211819641 836115329 /nfs/dbraw/zinc/11/53/29/836115329.db2.gz RTFKEGOOXHWTBI-ZCFIWIBFSA-N -1 0 350.344 -0.490 20 0 FBADRM O=S(=O)([N-]C[C@]1(O)CCS(=O)(=O)C1)c1occc1Br ZINC001211875106 836252159 /nfs/dbraw/zinc/25/21/59/836252159.db2.gz KDCSOSIYEHCQMQ-SECBINFHSA-N -1 0 374.234 -0.130 20 0 FBADRM O=S(=O)([N-]C[C@@]1(O)CCS(=O)(=O)C1)c1occc1Br ZINC001211875111 836252036 /nfs/dbraw/zinc/25/20/36/836252036.db2.gz KDCSOSIYEHCQMQ-VIFPVBQESA-N -1 0 374.234 -0.130 20 0 FBADRM COc1c(F)c(F)ccc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001211889608 836327841 /nfs/dbraw/zinc/32/78/41/836327841.db2.gz VSLOOVFBYNMOIQ-UHFFFAOYSA-N -1 0 363.302 -0.015 20 0 FBADRM Cn1cnc(S(=O)(=O)NCCS(=O)(=O)C2CCOCC2)c1Cl ZINC001211910130 836425977 /nfs/dbraw/zinc/42/59/77/836425977.db2.gz SHUWBDURGDYDDJ-UHFFFAOYSA-N -1 0 371.868 -0.054 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cnc(N2CCCC2)nc1 ZINC001211923674 836447207 /nfs/dbraw/zinc/44/72/07/836447207.db2.gz PJFUPICUJRDGHP-UHFFFAOYSA-N -1 0 368.379 -0.912 20 0 FBADRM COc1nccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1Cl ZINC001211945643 836453817 /nfs/dbraw/zinc/45/38/17/836453817.db2.gz XCQONTUFYDXLNG-UHFFFAOYSA-N -1 0 362.755 -0.245 20 0 FBADRM CC(=O)Oc1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1 ZINC001212068424 836484725 /nfs/dbraw/zinc/48/47/25/836484725.db2.gz DPJSMRQOHFGRLW-UHFFFAOYSA-N -1 0 355.332 -0.377 20 0 FBADRM CN(C)[S@](=O)(=NS(=O)(=O)NCc1nc(=O)o[n-]1)c1ccccc1 ZINC001212069455 836484683 /nfs/dbraw/zinc/48/46/83/836484683.db2.gz GMZPFLGPUCVTRN-JOCHJYFZSA-N -1 0 361.405 -0.299 20 0 FBADRM CN(C)[S@@](=O)(=NS(=O)(=O)NCc1nc(=O)o[n-]1)c1ccccc1 ZINC001212069457 836484305 /nfs/dbraw/zinc/48/43/05/836484305.db2.gz GMZPFLGPUCVTRN-QFIPXVFZSA-N -1 0 361.405 -0.299 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]N2Cc3ccccc3C2=O)cn1 ZINC001212121218 836529527 /nfs/dbraw/zinc/52/95/27/836529527.db2.gz ZZTANYBGRZLIFB-UHFFFAOYSA-N -1 0 350.356 -0.095 20 0 FBADRM CCCCNC(=O)CN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](OC)C1 ZINC001212121999 836535308 /nfs/dbraw/zinc/53/53/08/836535308.db2.gz CJNLGLIIBSKWPA-VXGBXAGGSA-N -1 0 353.423 -0.231 20 0 FBADRM CO[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC001212122642 836538318 /nfs/dbraw/zinc/53/83/18/836538318.db2.gz MUDLOECBPBTJCE-GHMZBOCLSA-N -1 0 353.423 -0.233 20 0 FBADRM CO[C@@H]1CN(CC(=O)N(C)C(C)C)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC001212122668 836537761 /nfs/dbraw/zinc/53/77/61/836537761.db2.gz NPJOSIIKVXBHOE-VXGBXAGGSA-N -1 0 353.423 -0.280 20 0 FBADRM CCN(CC)C(=O)CN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](OC)C1 ZINC001212122725 836537943 /nfs/dbraw/zinc/53/79/43/836537943.db2.gz PEHREADGHOERIC-VXGBXAGGSA-N -1 0 353.423 -0.279 20 0 FBADRM CC[C@H](C)NC(=O)CN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](OC)C1 ZINC001212122746 836538279 /nfs/dbraw/zinc/53/82/79/836538279.db2.gz PPHNJTGUFPVFTO-MVWJERBFSA-N -1 0 353.423 -0.233 20 0 FBADRM CC[C@@H](C)NC(=O)CN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](OC)C1 ZINC001212122747 836538150 /nfs/dbraw/zinc/53/81/50/836538150.db2.gz PPHNJTGUFPVFTO-YUSALJHKSA-N -1 0 353.423 -0.233 20 0 FBADRM CO[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC001212122884 836538219 /nfs/dbraw/zinc/53/82/19/836538219.db2.gz VBFLDSOIXAKYCN-VXGBXAGGSA-N -1 0 351.407 -0.621 20 0 FBADRM CO[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC001212128989 836792756 /nfs/dbraw/zinc/79/27/56/836792756.db2.gz IBZGNPXZEQRWRI-VXGBXAGGSA-N -1 0 351.407 -0.621 20 0 FBADRM CO[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC001212129146 836795320 /nfs/dbraw/zinc/79/53/20/836795320.db2.gz LSBCQLWKFGJMJL-GHMZBOCLSA-N -1 0 360.436 -0.713 20 0 FBADRM CO[C@@H]1CN(CC(=O)NCC(C)C)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC001212129456 836797089 /nfs/dbraw/zinc/79/70/89/836797089.db2.gz SGRJLXHEUSIVQV-VXGBXAGGSA-N -1 0 353.423 -0.375 20 0 FBADRM CCCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](OC)C1 ZINC001212129459 836797187 /nfs/dbraw/zinc/79/71/87/836797187.db2.gz SJQRBYTZIUODBV-IJLUTSLNSA-N -1 0 353.423 -0.233 20 0 FBADRM CCCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](OC)C1 ZINC001212129461 836798457 /nfs/dbraw/zinc/79/84/57/836798457.db2.gz SJQRBYTZIUODBV-QJPTWQEYSA-N -1 0 353.423 -0.233 20 0 FBADRM CCCC[C@@H](C(N)=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](OC)C1 ZINC001212129665 836799922 /nfs/dbraw/zinc/79/99/22/836799922.db2.gz VRFRBOJODXUKDN-GRYCIOLGSA-N -1 0 353.423 -0.103 20 0 FBADRM CCCC[C@H](C(N)=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](OC)C1 ZINC001212129667 836799644 /nfs/dbraw/zinc/79/96/44/836799644.db2.gz VRFRBOJODXUKDN-IJLUTSLNSA-N -1 0 353.423 -0.103 20 0 FBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC001212252794 837155670 /nfs/dbraw/zinc/15/56/70/837155670.db2.gz DCZYBCDGBZGEMR-MRVPVSSYSA-N -1 0 358.376 -0.679 20 0 FBADRM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC001212252795 837154811 /nfs/dbraw/zinc/15/48/11/837154811.db2.gz DCZYBCDGBZGEMR-QMMMGPOBSA-N -1 0 358.376 -0.679 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2=O)c(Br)n1 ZINC001212253202 837155818 /nfs/dbraw/zinc/15/58/18/837155818.db2.gz NTLCWPNCQKKMNL-LURJTMIESA-N -1 0 365.209 -0.392 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2=O)c(Br)n1 ZINC001212253205 837155596 /nfs/dbraw/zinc/15/55/96/837155596.db2.gz NTLCWPNCQKKMNL-ZCFIWIBFSA-N -1 0 365.209 -0.392 20 0 FBADRM C[S@](=O)(=NS(=O)(=O)[N-][C@@]1(C(N)=O)CCOC1)c1ccccc1F ZINC001212317384 837180658 /nfs/dbraw/zinc/18/06/58/837180658.db2.gz VQTUUBIVQLXSOX-AMXDTQDGSA-N -1 0 365.408 -0.239 20 0 FBADRM C[S@@](=O)(=NS(=O)(=O)[N-][C@]1(C(N)=O)CCOC1)c1ccccc1F ZINC001212317385 837180758 /nfs/dbraw/zinc/18/07/58/837180758.db2.gz VQTUUBIVQLXSOX-IPQOISQHSA-N -1 0 365.408 -0.239 20 0 FBADRM C[S@](=O)(=NS(=O)(=O)[N-][C@]1(C(N)=O)CCOC1)c1ccccc1F ZINC001212317386 837180537 /nfs/dbraw/zinc/18/05/37/837180537.db2.gz VQTUUBIVQLXSOX-VERVWZFWSA-N -1 0 365.408 -0.239 20 0 FBADRM C[S@@](=O)(=NS(=O)(=O)[N-][C@@]1(C(N)=O)CCOC1)c1ccccc1F ZINC001212317387 837180271 /nfs/dbraw/zinc/18/02/71/837180271.db2.gz VQTUUBIVQLXSOX-YTEVENLXSA-N -1 0 365.408 -0.239 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1cc(C(=O)OC)c(F)cc1OC ZINC001212383715 837348404 /nfs/dbraw/zinc/34/84/04/837348404.db2.gz DCAZTHVLZTZJCU-UHFFFAOYSA-N -1 0 364.351 -0.033 20 0 FBADRM COCCC1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]2OC)CC1 ZINC001212388932 837350294 /nfs/dbraw/zinc/35/02/94/837350294.db2.gz JJJVUNXWFDYBNZ-VXGBXAGGSA-N -1 0 353.423 -0.760 20 0 FBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@]1(C(=O)OC(C)(C)C)CCOC1 ZINC001212418284 837366273 /nfs/dbraw/zinc/36/62/73/837366273.db2.gz UGQASPLPTYIAMO-AMXDTQDGSA-N -1 0 371.481 -0.104 20 0 FBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@]1(C(=O)OC(C)(C)C)CCOC1 ZINC001212418287 837366764 /nfs/dbraw/zinc/36/67/64/837366764.db2.gz UGQASPLPTYIAMO-IPQOISQHSA-N -1 0 371.481 -0.104 20 0 FBADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@]1(C(=O)OC(C)(C)C)CCOC1 ZINC001212418289 837367896 /nfs/dbraw/zinc/36/78/96/837367896.db2.gz UGQASPLPTYIAMO-VERVWZFWSA-N -1 0 371.481 -0.104 20 0 FBADRM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@@]1(C(=O)OC(C)(C)C)CCOC1 ZINC001212418290 837367193 /nfs/dbraw/zinc/36/71/93/837367193.db2.gz UGQASPLPTYIAMO-YTEVENLXSA-N -1 0 371.481 -0.104 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)COc1cc(C)on1 ZINC001212434898 837430397 /nfs/dbraw/zinc/43/03/97/837430397.db2.gz NDTTXSRNMUOCSC-NXEZZACHSA-N -1 0 352.351 -0.799 20 0 FBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CCCN(C)S(C)(=O)=O ZINC001212479949 837543561 /nfs/dbraw/zinc/54/35/61/837543561.db2.gz AIPZAFDUMZBPHS-UHFFFAOYSA-N -1 0 354.406 -0.374 20 0 FBADRM COc1c(F)ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1F ZINC001212494626 837549561 /nfs/dbraw/zinc/54/95/61/837549561.db2.gz SYMRUXRQPROLOQ-UHFFFAOYSA-N -1 0 363.302 -0.015 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCOCC(F)(F)F ZINC001212502730 837555573 /nfs/dbraw/zinc/55/55/73/837555573.db2.gz NWPYIJWFANQRMH-RKDXNWHRSA-N -1 0 367.328 -0.205 20 0 FBADRM CO[C@@H]1CN(C/C=C\Cl)C[C@H]1NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001212509522 837559890 /nfs/dbraw/zinc/55/98/90/837559890.db2.gz FIBXIFXCCJTRMC-WPEWVOEUSA-N -1 0 357.798 -0.217 20 0 FBADRM CO[C@@H]1CN(C/C=C/Cl)C[C@H]1NC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001212509523 837559980 /nfs/dbraw/zinc/55/99/80/837559980.db2.gz FIBXIFXCCJTRMC-ZDDBVIRUSA-N -1 0 357.798 -0.217 20 0 FBADRM CC[C@H](F)CN1C[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H](OC)C1 ZINC001212510160 837560027 /nfs/dbraw/zinc/56/00/27/837560027.db2.gz YDJQAAOJJNQCPE-MVWJERBFSA-N -1 0 357.386 -0.221 20 0 FBADRM CC[C@@H](F)CN1C[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H](OC)C1 ZINC001212510161 837560077 /nfs/dbraw/zinc/56/00/77/837560077.db2.gz YDJQAAOJJNQCPE-YUSALJHKSA-N -1 0 357.386 -0.221 20 0 FBADRM COC(=O)Cc1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1 ZINC001212616577 839926134 /nfs/dbraw/zinc/92/61/34/839926134.db2.gz LMYHZLBYNVHNQG-UHFFFAOYSA-N -1 0 369.359 -0.587 20 0 FBADRM COC(=O)c1cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)ccc1C ZINC001212625131 840257797 /nfs/dbraw/zinc/25/77/97/840257797.db2.gz YXPLNEIDHBHTKB-UHFFFAOYSA-N -1 0 369.359 -0.207 20 0 FBADRM COCCOc1ccccc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001212636253 840262583 /nfs/dbraw/zinc/26/25/83/840262583.db2.gz UCHYHHVIWRLOJO-UHFFFAOYSA-N -1 0 371.375 -0.277 20 0 FBADRM CC(=O)Nc1ccc(-n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)cc1F ZINC001212702010 840268297 /nfs/dbraw/zinc/26/82/97/840268297.db2.gz XAJDYUIHMNLUCZ-UHFFFAOYSA-N -1 0 372.338 -0.205 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cccc(CO)c1Cl ZINC001212760534 840275606 /nfs/dbraw/zinc/27/56/06/840275606.db2.gz HOCGWWWFNOZKOU-UHFFFAOYSA-N -1 0 361.767 -0.157 20 0 FBADRM CCOc1ncc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1F ZINC001212829220 841799183 /nfs/dbraw/zinc/79/91/83/841799183.db2.gz PKERHZFTLLCOIP-UHFFFAOYSA-N -1 0 360.327 -0.369 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc(CO)c(Cl)c1 ZINC001212889324 842092521 /nfs/dbraw/zinc/09/25/21/842092521.db2.gz UDNCJTLYBYQDLA-UHFFFAOYSA-N -1 0 361.767 -0.157 20 0 FBADRM COCOc1cccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001212897058 842092459 /nfs/dbraw/zinc/09/24/59/842092459.db2.gz UHFFMKQFRSUJGY-UHFFFAOYSA-N -1 0 357.348 -0.320 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccnc(OCC2CC2)c1 ZINC001213015437 843869776 /nfs/dbraw/zinc/86/97/76/843869776.db2.gz SSOPKDCSPXEENO-UHFFFAOYSA-N -1 0 368.375 -0.118 20 0 FBADRM CN1CCOc2cc(-n3c(N)c(N)c(OS(=O)(=O)[O-])nc3=N)ccc21 ZINC001213040965 843935042 /nfs/dbraw/zinc/93/50/42/843935042.db2.gz CGFPQHMMAPLWFT-UHFFFAOYSA-N -1 0 368.375 -0.474 20 0 FBADRM COC(=O)Cc1ccccc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001213056766 843955331 /nfs/dbraw/zinc/95/53/31/843955331.db2.gz VYOKNTDBWUFHKW-UHFFFAOYSA-N -1 0 369.359 -0.587 20 0 FBADRM Cc1nc2cc(-n3c(=N)nc(OS(=O)(=O)[O-])c(N)c3N)ccc2[nH]1 ZINC001213071424 840264448 /nfs/dbraw/zinc/26/44/48/840264448.db2.gz RMWIZQMVSYSONF-UHFFFAOYSA-N -1 0 351.348 -0.118 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc2nc(N)ncc2c1 ZINC001213108295 836102474 /nfs/dbraw/zinc/10/24/74/836102474.db2.gz KCLHVITWRIAGKL-UHFFFAOYSA-N -1 0 364.347 -0.777 20 0 FBADRM CO[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001213126366 844242125 /nfs/dbraw/zinc/24/21/25/844242125.db2.gz DISIWAMYTPLYQQ-GHMZBOCLSA-N -1 0 355.395 -0.616 20 0 FBADRM CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001213126637 844243054 /nfs/dbraw/zinc/24/30/54/844243054.db2.gz HGKBCRJDLOFFSU-GHMZBOCLSA-N -1 0 353.379 -0.862 20 0 FBADRM CCCCOCC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](OC)C1 ZINC001213126702 844241839 /nfs/dbraw/zinc/24/18/39/844241839.db2.gz IIZANCSWYCSLNU-GHMZBOCLSA-N -1 0 355.395 -0.472 20 0 FBADRM COCCCCC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](OC)C1 ZINC001213126756 844242625 /nfs/dbraw/zinc/24/26/25/844242625.db2.gz IVOHIWYNROMGAO-GHMZBOCLSA-N -1 0 355.395 -0.472 20 0 FBADRM CO[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001213127001 844242985 /nfs/dbraw/zinc/24/29/85/844242985.db2.gz NBAIGBKUFKAEMR-GHMZBOCLSA-N -1 0 355.395 -0.473 20 0 FBADRM NS(=O)(=O)N1CCC([N-]S(=O)(=O)c2c(F)cccc2F)CC1 ZINC001213167004 844249445 /nfs/dbraw/zinc/24/94/45/844249445.db2.gz DITKFVGMLYOEBV-UHFFFAOYSA-N -1 0 355.388 -0.089 20 0 FBADRM CCOC(=O)c1ccccc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001213172386 836032863 /nfs/dbraw/zinc/03/28/63/836032863.db2.gz JOKZAJJZZBVSTD-UHFFFAOYSA-N -1 0 369.359 -0.126 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cnc2nccnc2c1 ZINC001213212741 844253276 /nfs/dbraw/zinc/25/32/76/844253276.db2.gz LFCGWEXMILWGBC-UHFFFAOYSA-N -1 0 350.320 -0.964 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCc1nc(C)no1 ZINC001213243605 844261140 /nfs/dbraw/zinc/26/11/40/844261140.db2.gz AQXPVZXUZKQCIJ-NXEZZACHSA-N -1 0 351.367 -0.850 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]C1CC(CO)(CO)C1 ZINC001213293588 844271182 /nfs/dbraw/zinc/27/11/82/844271182.db2.gz RTMABSDVLVKGRG-SECBINFHSA-N -1 0 363.354 -0.077 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C1CC(CO)(CO)C1 ZINC001213293595 844271509 /nfs/dbraw/zinc/27/15/09/844271509.db2.gz RTMABSDVLVKGRG-VIFPVBQESA-N -1 0 363.354 -0.077 20 0 FBADRM CS(C)(=O)=NS(=O)(=O)[N-]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC001213303840 844272151 /nfs/dbraw/zinc/27/21/51/844272151.db2.gz CIPGRXFBWOAYEC-UHFFFAOYSA-N -1 0 363.417 -0.042 20 0 FBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC001213308295 844273592 /nfs/dbraw/zinc/27/35/92/844273592.db2.gz NSJWBECBOOQUSS-QTYUKPITSA-N -1 0 371.481 -0.217 20 0 FBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC001213308296 844274384 /nfs/dbraw/zinc/27/43/84/844274384.db2.gz NSJWBECBOOQUSS-YWHIBEFZSA-N -1 0 371.481 -0.217 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H](O)CC(=O)OC ZINC001213310223 844274133 /nfs/dbraw/zinc/27/41/33/844274133.db2.gz BDQWNGFATZUBMD-HTQZYQBOSA-N -1 0 365.326 -0.286 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@@H](O)CC(=O)OC ZINC001213310237 844273683 /nfs/dbraw/zinc/27/36/83/844273683.db2.gz BDQWNGFATZUBMD-JGVFFNPUSA-N -1 0 365.326 -0.286 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H](O)CC(=O)OC ZINC001213310239 844274429 /nfs/dbraw/zinc/27/44/29/844274429.db2.gz BDQWNGFATZUBMD-SFYZADRCSA-N -1 0 365.326 -0.286 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C[C@@H](O)CC(=O)OC ZINC001213310240 844274329 /nfs/dbraw/zinc/27/43/29/844274329.db2.gz BDQWNGFATZUBMD-YUMQZZPRSA-N -1 0 365.326 -0.286 20 0 FBADRM CNS(=O)(=O)CCC[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC001213327904 844276429 /nfs/dbraw/zinc/27/64/29/844276429.db2.gz MBPCQUMXQGXJIM-UHFFFAOYSA-N -1 0 357.435 -0.853 20 0 FBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H](CO)CN1CCOCC1 ZINC001213424521 844293080 /nfs/dbraw/zinc/29/30/80/844293080.db2.gz KGYBZOFPARCCAE-FIKIJFGZSA-N -1 0 357.498 -0.590 20 0 FBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@H](CO)CN1CCOCC1 ZINC001213424522 844292878 /nfs/dbraw/zinc/29/28/78/844292878.db2.gz KGYBZOFPARCCAE-MQJDWESPSA-N -1 0 357.498 -0.590 20 0 FBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@H](CO)CN1CCOCC1 ZINC001213424523 844292585 /nfs/dbraw/zinc/29/25/85/844292585.db2.gz KGYBZOFPARCCAE-WIUDPPPLSA-N -1 0 357.498 -0.590 20 0 FBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H](CO)CN1CCOCC1 ZINC001213424524 844292734 /nfs/dbraw/zinc/29/27/34/844292734.db2.gz KGYBZOFPARCCAE-WSVYEEACSA-N -1 0 357.498 -0.590 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCc1cc(C)on1 ZINC001213432112 844294310 /nfs/dbraw/zinc/29/43/10/844294310.db2.gz BXZTXYDVYLAQLU-VXGBXAGGSA-N -1 0 350.379 -0.245 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C1(CF)CCOCC1 ZINC001213443822 844298010 /nfs/dbraw/zinc/29/80/10/844298010.db2.gz ACJIYCQAVHHTGK-GHMZBOCLSA-N -1 0 357.386 -0.408 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCc1cncs1 ZINC001213449183 844297598 /nfs/dbraw/zinc/29/75/98/844297598.db2.gz HZBPMAFHXUCHGR-GHMZBOCLSA-N -1 0 352.420 -0.085 20 0 FBADRM Cc1oc(C(N)=O)cc1S(=O)(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC001213498410 844310772 /nfs/dbraw/zinc/31/07/72/844310772.db2.gz BWPWCJKNYYYNPM-UHFFFAOYSA-N -1 0 369.321 -0.014 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)COC1CCOCC1 ZINC001213509766 844314521 /nfs/dbraw/zinc/31/45/21/844314521.db2.gz WOYICJJONKNNJR-VXGBXAGGSA-N -1 0 355.395 -0.979 20 0 FBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1nnc2c(=O)n(C)ccn12 ZINC001213569815 844330042 /nfs/dbraw/zinc/33/00/42/844330042.db2.gz AVSIYQVJGHODGT-UHFFFAOYSA-N -1 0 362.437 -0.730 20 0 FBADRM Cn1nnc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)n1 ZINC001213603088 844340928 /nfs/dbraw/zinc/34/09/28/844340928.db2.gz MEMLMSGEGKTLOK-UHFFFAOYSA-N -1 0 358.405 -0.548 20 0 FBADRM Cn1nnc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 ZINC001213603374 844341070 /nfs/dbraw/zinc/34/10/70/844341070.db2.gz YYNUGOJODWCYDX-UHFFFAOYSA-N -1 0 372.432 -0.205 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CO)c1nncn1C ZINC001213637066 844347672 /nfs/dbraw/zinc/34/76/72/844347672.db2.gz XIFQJUIJZRQDOQ-HTQZYQBOSA-N -1 0 374.341 -0.348 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CO)c1nncn1C ZINC001213637067 844346666 /nfs/dbraw/zinc/34/66/66/844346666.db2.gz XIFQJUIJZRQDOQ-JGVFFNPUSA-N -1 0 374.341 -0.348 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CO)c1nncn1C ZINC001213637068 844346748 /nfs/dbraw/zinc/34/67/48/844346748.db2.gz XIFQJUIJZRQDOQ-SFYZADRCSA-N -1 0 374.341 -0.348 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CO)c1nncn1C ZINC001213637069 844346988 /nfs/dbraw/zinc/34/69/88/844346988.db2.gz XIFQJUIJZRQDOQ-YUMQZZPRSA-N -1 0 374.341 -0.348 20 0 FBADRM COC(=O)[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1)[C@@H](C)O ZINC001213680056 844357261 /nfs/dbraw/zinc/35/72/61/844357261.db2.gz KNWNFFAKZWMATD-HNLRAMPDSA-N -1 0 350.418 -0.100 20 0 FBADRM COC(=O)[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1)[C@@H](C)O ZINC001213680057 844357174 /nfs/dbraw/zinc/35/71/74/844357174.db2.gz KNWNFFAKZWMATD-IQWQQKMBSA-N -1 0 350.418 -0.100 20 0 FBADRM CO[C@@H](CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC)C(F)(F)F ZINC001213681491 844357457 /nfs/dbraw/zinc/35/74/57/844357457.db2.gz LLXGAXYMQMSULJ-HLTSFMKQSA-N -1 0 367.328 -0.207 20 0 FBADRM CO[C@H](CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC)C(F)(F)F ZINC001213681492 844357367 /nfs/dbraw/zinc/35/73/67/844357367.db2.gz LLXGAXYMQMSULJ-IWSPIJDZSA-N -1 0 367.328 -0.207 20 0 FBADRM COCCCOCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001213695141 844362506 /nfs/dbraw/zinc/36/25/06/844362506.db2.gz HXLMDGGZYLNQLR-VXGBXAGGSA-N -1 0 357.411 -0.731 20 0 FBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](C)c1nnc2c(=O)[nH]ccn21 ZINC001213706145 844366054 /nfs/dbraw/zinc/36/60/54/844366054.db2.gz GCDREQNGYHCEEM-MRVPVSSYSA-N -1 0 362.437 -0.179 20 0 FBADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](C)c1nnc2c(=O)[nH]ccn21 ZINC001213706146 844366373 /nfs/dbraw/zinc/36/63/73/844366373.db2.gz GCDREQNGYHCEEM-QMMMGPOBSA-N -1 0 362.437 -0.179 20 0 FBADRM COC(=O)Cc1cccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001213707683 844367105 /nfs/dbraw/zinc/36/71/05/844367105.db2.gz UCUYWAKCLQPCSL-UHFFFAOYSA-N -1 0 369.359 -0.587 20 0 FBADRM CN(Cc1nnc2n1CCNC2=O)S(=O)(=O)c1cc([O-])cc(F)c1 ZINC001213709075 844367264 /nfs/dbraw/zinc/36/72/64/844367264.db2.gz GYSDBQLKDWZCET-UHFFFAOYSA-N -1 0 355.351 -0.313 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)COc1ccsc1 ZINC001213726288 844371378 /nfs/dbraw/zinc/37/13/78/844371378.db2.gz UAPFDKJNHUWZTD-GHMZBOCLSA-N -1 0 353.404 -0.034 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCCC(=O)N(C)C ZINC001213738942 844374430 /nfs/dbraw/zinc/37/44/30/844374430.db2.gz RYSFJYKLIIDGNR-GHMZBOCLSA-N -1 0 354.411 -0.916 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC2(S(=O)(=O)N(C)C)CC2)on1 ZINC001213740324 844375476 /nfs/dbraw/zinc/37/54/76/844375476.db2.gz VRWANDSNXDCKPJ-UHFFFAOYSA-N -1 0 367.405 -0.837 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)[N-][C@@H](CCO)C(F)(F)F)C1 ZINC001213740404 844375467 /nfs/dbraw/zinc/37/54/67/844375467.db2.gz YNROTPRMNAPWEU-BDAKNGLRSA-N -1 0 368.399 -0.499 20 0 FBADRM CS(=O)(=O)N1CC[C@H](CS(=O)(=O)[N-][C@H](CCO)C(F)(F)F)C1 ZINC001213740405 844376327 /nfs/dbraw/zinc/37/63/27/844376327.db2.gz YNROTPRMNAPWEU-DTWKUNHWSA-N -1 0 368.399 -0.499 20 0 FBADRM CS(=O)(=O)N1CC[C@H](CS(=O)(=O)[N-][C@@H](CCO)C(F)(F)F)C1 ZINC001213740406 844375812 /nfs/dbraw/zinc/37/58/12/844375812.db2.gz YNROTPRMNAPWEU-IUCAKERBSA-N -1 0 368.399 -0.499 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)[N-][C@H](CCO)C(F)(F)F)C1 ZINC001213740407 844376626 /nfs/dbraw/zinc/37/66/26/844376626.db2.gz YNROTPRMNAPWEU-RKDXNWHRSA-N -1 0 368.399 -0.499 20 0 FBADRM CCNC(=O)CCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001213740596 844376469 /nfs/dbraw/zinc/37/64/69/844376469.db2.gz BIERVCPWZKGQCR-GHMZBOCLSA-N -1 0 354.411 -0.868 20 0 FBADRM CCCNC(=O)CCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001213742999 844375728 /nfs/dbraw/zinc/37/57/28/844375728.db2.gz AYHONUVHPPVKCC-GHMZBOCLSA-N -1 0 354.411 -0.868 20 0 FBADRM Cc1nn(C)c2cc(-n3c(N)c(N)c(OS(=O)(=O)[O-])nc3=N)ccc12 ZINC001213752889 844378180 /nfs/dbraw/zinc/37/81/80/844378180.db2.gz NGURRPNPLGWXJV-UHFFFAOYSA-N -1 0 365.375 -0.107 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc2[nH]c(=O)ccc2c1 ZINC001213769568 844384149 /nfs/dbraw/zinc/38/41/49/844384149.db2.gz DFZXAVQMUSQNQT-UHFFFAOYSA-N -1 0 364.343 -0.461 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCCN(C)C(C)=O ZINC001213790445 844387374 /nfs/dbraw/zinc/38/73/74/844387374.db2.gz CIFVKAOBQCKFCZ-VXGBXAGGSA-N -1 0 354.411 -0.916 20 0 FBADRM CN1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001213802705 844389668 /nfs/dbraw/zinc/38/96/68/844389668.db2.gz YMHQLDMQHUXRBA-DTORHVGOSA-N -1 0 351.388 -0.097 20 0 FBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CCS(=O)(=O)N1CCCC1 ZINC001213865282 844403729 /nfs/dbraw/zinc/40/37/29/844403729.db2.gz AGPZGMLQQBJGMJ-UHFFFAOYSA-N -1 0 366.417 -0.230 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCc1nccs1 ZINC001213884132 844410461 /nfs/dbraw/zinc/41/04/61/844410461.db2.gz KPNCQARACMHVEV-NXEZZACHSA-N -1 0 352.420 -0.085 20 0 FBADRM CS(=O)(=O)C[C@H]1CN(S(=O)(=O)c2cc([O-])cc(F)c2)CCO1 ZINC001213889101 844412255 /nfs/dbraw/zinc/41/22/55/844412255.db2.gz RYKMGCAPGXCMEE-LLVKDONJSA-N -1 0 353.393 -0.035 20 0 FBADRM CS(=O)(=O)C[C@@H]1CN(S(=O)(=O)c2cc([O-])cc(F)c2)CCO1 ZINC001213889105 844412316 /nfs/dbraw/zinc/41/23/16/844412316.db2.gz RYKMGCAPGXCMEE-NSHDSACASA-N -1 0 353.393 -0.035 20 0 FBADRM CO[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001213908614 844414316 /nfs/dbraw/zinc/41/43/16/844414316.db2.gz ODGOFLSQMHJECG-DJLDLDEBSA-N -1 0 368.356 -0.867 20 0 FBADRM CO[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001213908617 844414729 /nfs/dbraw/zinc/41/47/29/844414729.db2.gz ODGOFLSQMHJECG-IWSPIJDZSA-N -1 0 368.356 -0.867 20 0 FBADRM CNC(=O)CN1C[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@H](OC)C1 ZINC001213908835 844414435 /nfs/dbraw/zinc/41/44/35/844414435.db2.gz PGXIZJBRPREDIK-RKDXNWHRSA-N -1 0 368.356 -0.995 20 0 FBADRM CCOCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001213912061 844415937 /nfs/dbraw/zinc/41/59/37/844415937.db2.gz OUZCEZNKMYTHSJ-IJLUTSLNSA-N -1 0 357.411 -0.733 20 0 FBADRM CCOCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001213912062 844415950 /nfs/dbraw/zinc/41/59/50/844415950.db2.gz OUZCEZNKMYTHSJ-QJPTWQEYSA-N -1 0 357.411 -0.733 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCn1cc(Cl)cn1 ZINC001213912275 844415557 /nfs/dbraw/zinc/41/55/57/844415557.db2.gz XUXLWWBZZNKECV-GHMZBOCLSA-N -1 0 369.813 -0.234 20 0 FBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC001213912498 844415919 /nfs/dbraw/zinc/41/59/19/844415919.db2.gz FEAVQSPYWHNURY-UHFFFAOYSA-N -1 0 355.369 -0.847 20 0 FBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)CC2 ZINC001213912702 844415637 /nfs/dbraw/zinc/41/56/37/844415637.db2.gz KFXIMFOHBCYTHO-UHFFFAOYSA-N -1 0 353.400 -0.058 20 0 FBADRM CO[N-]C(=O)CNS(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC001213913052 844415735 /nfs/dbraw/zinc/41/57/35/844415735.db2.gz TUDUVJXNCMCFOK-UHFFFAOYSA-N -1 0 351.425 -0.448 20 0 FBADRM CCCCCCn1cc(S(=O)(=O)NCC(=O)[N-]OC)c(=O)[nH]c1=O ZINC001213913196 844415904 /nfs/dbraw/zinc/41/59/04/844415904.db2.gz XDWTXXGRCROMKR-UHFFFAOYSA-N -1 0 362.408 -0.515 20 0 FBADRM COC(=O)C(F)(F)C[N-]S(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC001213941942 844424298 /nfs/dbraw/zinc/42/42/98/844424298.db2.gz XWUJKWQETRQUEE-UHFFFAOYSA-N -1 0 351.393 -0.073 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc2cc[nH]c(=O)c2c1 ZINC001213954239 844425219 /nfs/dbraw/zinc/42/52/19/844425219.db2.gz UHLAQOSDFWGSLB-UHFFFAOYSA-N -1 0 364.343 -0.048 20 0 FBADRM CNC(=O)CCCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1OC ZINC001213961812 844426476 /nfs/dbraw/zinc/42/64/76/844426476.db2.gz RXPSJPWQQXXQHY-GHMZBOCLSA-N -1 0 354.411 -0.868 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cccc2[nH]c(=O)ccc21 ZINC001213969683 844428406 /nfs/dbraw/zinc/42/84/06/844428406.db2.gz UKONQDIVFWZXJU-UHFFFAOYSA-N -1 0 364.343 -0.048 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CCc1cscn1 ZINC001213974282 844428356 /nfs/dbraw/zinc/42/83/56/844428356.db2.gz QOWCADQMWQZQSA-GHMZBOCLSA-N -1 0 352.420 -0.085 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)COC[C@H]1CCCO1 ZINC001213992893 844434140 /nfs/dbraw/zinc/43/41/40/844434140.db2.gz JBABYDVNEORJPM-IJLUTSLNSA-N -1 0 355.395 -0.979 20 0 FBADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)COC[C@@H]1CCCO1 ZINC001213992894 844433997 /nfs/dbraw/zinc/43/39/97/844433997.db2.gz JBABYDVNEORJPM-QJPTWQEYSA-N -1 0 355.395 -0.979 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cc(F)c(CO)c(F)c1 ZINC001214024498 844438242 /nfs/dbraw/zinc/43/82/42/844438242.db2.gz NNUBTLZNCXGKOV-UHFFFAOYSA-N -1 0 363.302 -0.532 20 0 FBADRM COC(=O)c1c(F)cccc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001214046001 844438802 /nfs/dbraw/zinc/43/88/02/844438802.db2.gz ZWKMHZABEUAJIB-UHFFFAOYSA-N -1 0 373.322 -0.377 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1c(F)cc(CO)cc1F ZINC001214088433 844442464 /nfs/dbraw/zinc/44/24/64/844442464.db2.gz MZNFORBMOFYGMF-UHFFFAOYSA-N -1 0 363.302 -0.532 20 0 FBADRM CCOC(=O)C1(S(=O)(=O)[N-][C@@H](CC2OCCO2)C(=O)OC)CCC1 ZINC001214113045 844444505 /nfs/dbraw/zinc/44/45/05/844444505.db2.gz KWWLLYNAZCWWQX-JTQLQIEISA-N -1 0 365.404 -0.304 20 0 FBADRM CCOC(=O)C1(S(=O)(=O)[N-][C@H](CC2OCCO2)C(=O)OC)CCC1 ZINC001214113046 844444257 /nfs/dbraw/zinc/44/42/57/844444257.db2.gz KWWLLYNAZCWWQX-SNVBAGLBSA-N -1 0 365.404 -0.304 20 0 FBADRM CO[N-]C(=O)CNC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001214136082 844447088 /nfs/dbraw/zinc/44/70/88/844447088.db2.gz DFTDWQOCBUWZKN-UHFFFAOYSA-N -1 0 372.403 -0.493 20 0 FBADRM CO[N-]C(=O)CNC(=O)Nc1ccc(C(=O)NCCC(=O)OC)cc1 ZINC001214234476 844453434 /nfs/dbraw/zinc/45/34/34/844453434.db2.gz MRFOQKDORSFTJE-UHFFFAOYSA-N -1 0 352.347 -0.221 20 0 FBADRM COCOc1ccc(C)cc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001214237006 844453594 /nfs/dbraw/zinc/45/35/94/844453594.db2.gz ODMDVXZRGFYWBR-UHFFFAOYSA-N -1 0 371.375 -0.011 20 0 FBADRM COCOc1ccc(C)c(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001214359622 844459339 /nfs/dbraw/zinc/45/93/39/844459339.db2.gz QYFPJRRIGZQLSA-UHFFFAOYSA-N -1 0 371.375 -0.011 20 0 FBADRM COC(=O)c1cccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1F ZINC001214572381 844476939 /nfs/dbraw/zinc/47/69/39/844476939.db2.gz WRUQLTUMGGEDLD-UHFFFAOYSA-N -1 0 373.322 -0.377 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cccc(Cl)c1CO ZINC001214644635 844483944 /nfs/dbraw/zinc/48/39/44/844483944.db2.gz PAHOTSUFFQQTIR-UHFFFAOYSA-N -1 0 361.767 -0.157 20 0 FBADRM COCOc1c(C)cccc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001214846679 844504089 /nfs/dbraw/zinc/50/40/89/844504089.db2.gz KDJLLCHAJRYKJE-UHFFFAOYSA-N -1 0 371.375 -0.011 20 0 FBADRM CNC(=O)c1ccc(-n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)c(F)c1 ZINC001214862232 844505316 /nfs/dbraw/zinc/50/53/16/844505316.db2.gz MFHVNKOXBCXDHY-UHFFFAOYSA-N -1 0 372.338 -0.804 20 0 FBADRM CCOc1ncc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1C ZINC001214928516 844510619 /nfs/dbraw/zinc/51/06/19/844510619.db2.gz DDMWCYPGITZIRS-UHFFFAOYSA-N -1 0 356.364 -0.200 20 0 FBADRM Cc1cc(CO)cc(C)c1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001214949664 844510516 /nfs/dbraw/zinc/51/05/16/844510516.db2.gz UOVHTEWGMSWSPL-UHFFFAOYSA-N -1 0 355.376 -0.193 20 0 FBADRM C[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H]1NCc1nncs1 ZINC001215012343 844518155 /nfs/dbraw/zinc/51/81/55/844518155.db2.gz DOVPXKSZCZLSAU-NXEZZACHSA-N -1 0 367.435 -0.042 20 0 FBADRM C[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H]1NCc1cnsn1 ZINC001215012673 844517871 /nfs/dbraw/zinc/51/78/71/844517871.db2.gz JSDQNGUUGPAFJF-MWLCHTKSSA-N -1 0 367.435 -0.042 20 0 FBADRM C[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H]1NCc1cnon1 ZINC001215012711 844517854 /nfs/dbraw/zinc/51/78/54/844517854.db2.gz KLBVLTNHTLROSX-MWLCHTKSSA-N -1 0 351.367 -0.511 20 0 FBADRM C[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H]1NCc1csnn1 ZINC001215013099 844519077 /nfs/dbraw/zinc/51/90/77/844519077.db2.gz XBRGHYXKZKBOQV-MWLCHTKSSA-N -1 0 367.435 -0.042 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc(CO)c(F)c1F ZINC001215028047 844519091 /nfs/dbraw/zinc/51/90/91/844519091.db2.gz BLIMKNBRLXGOIT-UHFFFAOYSA-N -1 0 363.302 -0.532 20 0 FBADRM CCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001215066921 844522517 /nfs/dbraw/zinc/52/25/17/844522517.db2.gz GUXQJBGKDUPXRN-KXUCPTDWSA-N -1 0 352.395 -0.752 20 0 FBADRM CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001215066923 844522686 /nfs/dbraw/zinc/52/26/86/844522686.db2.gz GUXQJBGKDUPXRN-OPRDCNLKSA-N -1 0 352.395 -0.752 20 0 FBADRM C[C@H]([NH2+][C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C)C(=O)NC1CC1 ZINC001215067635 844522978 /nfs/dbraw/zinc/52/29/78/844522978.db2.gz WJXDMZOOABZHNW-KHQFGBGNSA-N -1 0 350.379 -1.000 20 0 FBADRM C[C@@H]([NH2+][C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C)C(=O)NC1CC1 ZINC001215067638 844522582 /nfs/dbraw/zinc/52/25/82/844522582.db2.gz WJXDMZOOABZHNW-NQMVMOMDSA-N -1 0 350.379 -1.000 20 0 FBADRM CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001215067695 844522411 /nfs/dbraw/zinc/52/24/11/844522411.db2.gz XTFDHLFYCLQPLD-NXEZZACHSA-N -1 0 352.395 -0.895 20 0 FBADRM CC[C@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001215069204 844522427 /nfs/dbraw/zinc/52/24/27/844522427.db2.gz FKPAAYFTZGPMIJ-KXUCPTDWSA-N -1 0 352.395 -0.752 20 0 FBADRM CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001215069205 844522765 /nfs/dbraw/zinc/52/27/65/844522765.db2.gz FKPAAYFTZGPMIJ-OPRDCNLKSA-N -1 0 352.395 -0.752 20 0 FBADRM CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001215069386 844522894 /nfs/dbraw/zinc/52/28/94/844522894.db2.gz LUHUOTKAKIHLSJ-NXEZZACHSA-N -1 0 352.395 -0.751 20 0 FBADRM CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001215069417 844522861 /nfs/dbraw/zinc/52/28/61/844522861.db2.gz NJOLEXIXPZYQDP-NXEZZACHSA-N -1 0 352.395 -0.800 20 0 FBADRM CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001215069426 844522667 /nfs/dbraw/zinc/52/26/67/844522667.db2.gz NSICFQBLVAYYEX-NXEZZACHSA-N -1 0 352.395 -0.799 20 0 FBADRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC001215069658 844522848 /nfs/dbraw/zinc/52/28/48/844522848.db2.gz ZQVKPVRGYAYTKY-RKDXNWHRSA-N -1 0 352.395 -0.752 20 0 FBADRM COc1cc(CO)ccc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001215202586 844529292 /nfs/dbraw/zinc/52/92/92/844529292.db2.gz OKQPIQWBIUAHKP-UHFFFAOYSA-N -1 0 357.348 -0.801 20 0 FBADRM Cc1c(C)c(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)ccc1CO ZINC001215236238 844533932 /nfs/dbraw/zinc/53/39/32/844533932.db2.gz ZNUNOQDWYXVUKH-UHFFFAOYSA-N -1 0 355.376 -0.193 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc(F)c2n[nH]cc21 ZINC001215371150 844541178 /nfs/dbraw/zinc/54/11/78/844541178.db2.gz SCECWQFWGPMUCP-UHFFFAOYSA-N -1 0 355.311 -0.287 20 0 FBADRM CO[N-]C(=O)CNC(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1 ZINC001215378249 844541401 /nfs/dbraw/zinc/54/14/01/844541401.db2.gz RFUSZFVKKMFXNV-UHFFFAOYSA-N -1 0 372.403 -0.065 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cc2n[nH]cc2c(F)c1 ZINC001215553782 844549651 /nfs/dbraw/zinc/54/96/51/844549651.db2.gz HEBMNZZNQCIAIR-UHFFFAOYSA-N -1 0 355.311 -0.287 20 0 FBADRM CCOc1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c(C)n1 ZINC001215577391 844550557 /nfs/dbraw/zinc/55/05/57/844550557.db2.gz ZDCANKHYUUNRAF-UHFFFAOYSA-N -1 0 356.364 -0.200 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc(F)c(CO)c1F ZINC001215649812 844553282 /nfs/dbraw/zinc/55/32/82/844553282.db2.gz LPWLNHZLLYLDLI-UHFFFAOYSA-N -1 0 363.302 -0.532 20 0 FBADRM COCOc1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cn1 ZINC001215664118 844553274 /nfs/dbraw/zinc/55/32/74/844553274.db2.gz WKGQJCYETVNXCI-UHFFFAOYSA-N -1 0 358.336 -0.925 20 0 FBADRM COc1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c2c[nH]nc21 ZINC001215747417 844558481 /nfs/dbraw/zinc/55/84/81/844558481.db2.gz FPVMSSADPDRSIO-UHFFFAOYSA-N -1 0 367.347 -0.417 20 0 FBADRM Cc1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c2c[nH]nc21 ZINC001215755487 844559664 /nfs/dbraw/zinc/55/96/64/844559664.db2.gz SNDPDFUZYQMYCB-UHFFFAOYSA-N -1 0 351.348 -0.118 20 0 FBADRM CC(C)Oc1cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)ccn1 ZINC001215767143 844560324 /nfs/dbraw/zinc/56/03/24/844560324.db2.gz LFVKOOSAYOQPKK-UHFFFAOYSA-N -1 0 356.364 -0.120 20 0 FBADRM CCOCc1cncc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001215785676 844561109 /nfs/dbraw/zinc/56/11/09/844561109.db2.gz UDAQNTLYBKJUJT-UHFFFAOYSA-N -1 0 356.364 -0.371 20 0 FBADRM COc1cc(SC)c(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cn1 ZINC001215809668 844563003 /nfs/dbraw/zinc/56/30/03/844563003.db2.gz FEZHEXWZBCEFAG-UHFFFAOYSA-N -1 0 374.404 -0.177 20 0 FBADRM COC(=O)c1cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)ccc1F ZINC001215852352 844564796 /nfs/dbraw/zinc/56/47/96/844564796.db2.gz HCUBTIYMAQKSSK-UHFFFAOYSA-N -1 0 373.322 -0.377 20 0 FBADRM COc1nccc(SC)c1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001215928178 844568785 /nfs/dbraw/zinc/56/87/85/844568785.db2.gz XNWMJOJOIWOZKO-UHFFFAOYSA-N -1 0 374.404 -0.177 20 0 FBADRM COCc1cc(OC)ccc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001215977747 844571040 /nfs/dbraw/zinc/57/10/40/844571040.db2.gz UEENALOOTHXSPY-UHFFFAOYSA-N -1 0 371.375 -0.147 20 0 FBADRM COCCOc1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cn1 ZINC001216063671 844573653 /nfs/dbraw/zinc/57/36/53/844573653.db2.gz ASHXJXKKTUNGLF-UHFFFAOYSA-N -1 0 372.363 -0.882 20 0 FBADRM CCc1cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)ccc1CO ZINC001216104096 844574400 /nfs/dbraw/zinc/57/44/00/844574400.db2.gz RFKQWYHPICCGHY-UHFFFAOYSA-N -1 0 355.376 -0.248 20 0 FBADRM COc1cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)ccc1CO ZINC001216111871 844575374 /nfs/dbraw/zinc/57/53/74/844575374.db2.gz ICNGLZNFMFCCNN-UHFFFAOYSA-N -1 0 357.348 -0.801 20 0 FBADRM Cc1cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc(C)c1CO ZINC001216119046 844575439 /nfs/dbraw/zinc/57/54/39/844575439.db2.gz SAUYQSOSRIHGBX-UHFFFAOYSA-N -1 0 355.376 -0.193 20 0 FBADRM COc1cc(CO)cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001216199515 844579462 /nfs/dbraw/zinc/57/94/62/844579462.db2.gz UXTKFQNVDBQUAW-UHFFFAOYSA-N -1 0 357.348 -0.801 20 0 FBADRM CN(C)Cc1cccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1F ZINC001216227650 844580616 /nfs/dbraw/zinc/58/06/16/844580616.db2.gz NCTCMENVKWBBAQ-UHFFFAOYSA-N -1 0 372.382 -0.102 20 0 FBADRM COc1cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c(Cl)cn1 ZINC001216384444 844587600 /nfs/dbraw/zinc/58/76/00/844587600.db2.gz XKUWKEMRIQKQPV-UHFFFAOYSA-N -1 0 362.755 -0.245 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cc(Cl)cc(CO)c1 ZINC001216434607 844589300 /nfs/dbraw/zinc/58/93/00/844589300.db2.gz GNYABCQVWXFGPK-UHFFFAOYSA-N -1 0 361.767 -0.157 20 0 FBADRM CCCOc1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cn1 ZINC001216585901 844594217 /nfs/dbraw/zinc/59/42/17/844594217.db2.gz ULIQYCLYOCZGFE-UHFFFAOYSA-N -1 0 356.364 -0.118 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cncc(OCC2CC2)c1 ZINC001216597279 844594131 /nfs/dbraw/zinc/59/41/31/844594131.db2.gz VJDJJDLLEKRWIA-UHFFFAOYSA-N -1 0 368.375 -0.118 20 0 FBADRM CCOC(=O)c1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cn1 ZINC001216609064 844595304 /nfs/dbraw/zinc/59/53/04/844595304.db2.gz JEGTZTDNPBONGT-UHFFFAOYSA-N -1 0 370.347 -0.731 20 0 FBADRM CC(C)Oc1ncc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cn1 ZINC001216617233 844595808 /nfs/dbraw/zinc/59/58/08/844595808.db2.gz QFMSNWXXIPHKKD-UHFFFAOYSA-N -1 0 357.352 -0.725 20 0 FBADRM C[C@@H]1CN(C(=O)CC[C@@]2(C)CCC(=O)N2)C[C@H]1[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001217132891 844623792 /nfs/dbraw/zinc/62/37/92/844623792.db2.gz HBIHOIBGDSSJRS-GLKRBJQHSA-N -1 0 350.423 -0.104 20 0 FBADRM C[C@@H]1CN(C(=O)CC[C@]2(C)CCC(=O)N2)C[C@H]1[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001217132893 844623978 /nfs/dbraw/zinc/62/39/78/844623978.db2.gz HBIHOIBGDSSJRS-UVWXRNBGSA-N -1 0 350.423 -0.104 20 0 FBADRM CC(C)COCCC(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001217366821 844640547 /nfs/dbraw/zinc/64/05/47/844640547.db2.gz YHDHOEAINHEAKW-QWHCGFSZSA-N -1 0 353.423 -0.015 20 0 FBADRM CC(C)CO[C@H](C)C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001217426356 844644808 /nfs/dbraw/zinc/64/48/08/844644808.db2.gz JTQJIQLWQOTPLL-FRRDWIJNSA-N -1 0 353.423 -0.017 20 0 FBADRM CC(C)CO[C@@H](C)C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001217426357 844644712 /nfs/dbraw/zinc/64/47/12/844644712.db2.gz JTQJIQLWQOTPLL-RWMBFGLXSA-N -1 0 353.423 -0.017 20 0 FBADRM C[C@@H](OCC1CC1)C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001217464015 844646758 /nfs/dbraw/zinc/64/67/58/844646758.db2.gz YTGJCBWPSITCSS-KGYLQXTDSA-N -1 0 351.407 -0.263 20 0 FBADRM C[C@H](OCC1CC1)C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001217464016 844646659 /nfs/dbraw/zinc/64/66/59/844646659.db2.gz YTGJCBWPSITCSS-WCFLWFBJSA-N -1 0 351.407 -0.263 20 0 FBADRM CCCNC(=O)CN1C[C@H]2OCCN(C(=O)c3n[nH]c(C)c3[O-])[C@H]2C1 ZINC001217637816 844659194 /nfs/dbraw/zinc/65/91/94/844659194.db2.gz QUPLVYSWGCZQKP-NWDGAFQWSA-N -1 0 351.407 -0.525 20 0 FBADRM CCN(C)C(=O)CN1C[C@H]2OCCN(C(=O)c3n[nH]c(C)c3[O-])[C@H]2C1 ZINC001217637824 844659781 /nfs/dbraw/zinc/65/97/81/844659781.db2.gz RDINAGQZIQYPKN-NWDGAFQWSA-N -1 0 351.407 -0.573 20 0 FBADRM Cc1[nH]nc(C(=O)N2CCO[C@@H]3CN(CC(=O)NC(C)C)C[C@@H]32)c1[O-] ZINC001217637878 844659648 /nfs/dbraw/zinc/65/96/48/844659648.db2.gz UDMJCQXBCOVYPI-NWDGAFQWSA-N -1 0 351.407 -0.526 20 0 FBADRM COCCOCCN1C[C@H]2OCCN(C(=O)c3n[nH]c(C)c3[O-])[C@H]2C1 ZINC001217642963 844659659 /nfs/dbraw/zinc/65/96/59/844659659.db2.gz CQTYMSVNFTXPRQ-QWHCGFSZSA-N -1 0 354.407 -0.388 20 0 FBADRM COC1(CC(=O)N2CCO[C@@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@@H]32)CCC1 ZINC001217753031 844668637 /nfs/dbraw/zinc/66/86/37/844668637.db2.gz SZJCOSSWWFFJLF-NWDGAFQWSA-N -1 0 351.407 -0.119 20 0 FBADRM COCC1(CC(=O)N2CCO[C@@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@@H]32)CC1 ZINC001217861553 844673982 /nfs/dbraw/zinc/67/39/82/844673982.db2.gz QZDHPQJIWPPDRJ-NWDGAFQWSA-N -1 0 351.407 -0.261 20 0 FBADRM CCn1[n-]nnc1=NC(=O)NCc1ccc(CS(=O)(=O)NC)cc1 ZINC001217903925 844675868 /nfs/dbraw/zinc/67/58/68/844675868.db2.gz DIPQGCPUDNUWIG-UHFFFAOYSA-N -1 0 353.408 -0.514 20 0 FBADRM O=C(CCOCC1CC1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001217904120 844676412 /nfs/dbraw/zinc/67/64/12/844676412.db2.gz MSUCTUNHSIUIGA-QWHCGFSZSA-N -1 0 351.407 -0.261 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001217904385 844676248 /nfs/dbraw/zinc/67/62/48/844676248.db2.gz GGKINAJOVKOZGZ-GHMZBOCLSA-N -1 0 358.424 -0.685 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001217904387 844675947 /nfs/dbraw/zinc/67/59/47/844675947.db2.gz GGKINAJOVKOZGZ-MNOVXSKESA-N -1 0 358.424 -0.685 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001217904390 844676388 /nfs/dbraw/zinc/67/63/88/844676388.db2.gz GGKINAJOVKOZGZ-QWRGUYRKSA-N -1 0 358.424 -0.685 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001217904392 844676345 /nfs/dbraw/zinc/67/63/45/844676345.db2.gz GGKINAJOVKOZGZ-WDEREUQCSA-N -1 0 358.424 -0.685 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC001217905421 844676361 /nfs/dbraw/zinc/67/63/61/844676361.db2.gz QADWNBNPKGKOKP-UHFFFAOYSA-N -1 0 365.419 -0.071 20 0 FBADRM CCn1[n-]nnc1=NC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC001217905909 844676007 /nfs/dbraw/zinc/67/60/07/844676007.db2.gz UDIIHWVYRBDPDT-UHFFFAOYSA-N -1 0 371.345 -0.450 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC001217906315 844676468 /nfs/dbraw/zinc/67/64/68/844676468.db2.gz WSGOIJDBJCGKQL-SECBINFHSA-N -1 0 353.408 -0.013 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC001217906316 844676439 /nfs/dbraw/zinc/67/64/39/844676439.db2.gz WSGOIJDBJCGKQL-VIFPVBQESA-N -1 0 353.408 -0.013 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 ZINC001217919141 844677405 /nfs/dbraw/zinc/67/74/05/844677405.db2.gz MHTLVJQKEHDXMU-UHFFFAOYSA-N -1 0 351.392 -0.648 20 0 FBADRM CCn1[n-]nnc1=NC(=O)NCc1cccc(S(=O)(=O)N(C)C)c1 ZINC001217919399 844677580 /nfs/dbraw/zinc/67/75/80/844677580.db2.gz PPRLTEFXXXXYJQ-UHFFFAOYSA-N -1 0 353.408 -0.313 20 0 FBADRM CCO[C@@H](C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21)C1CC1 ZINC001217923131 844677544 /nfs/dbraw/zinc/67/75/44/844677544.db2.gz BTWYBPPDVIBCBG-OUCADQQQSA-N -1 0 351.407 -0.263 20 0 FBADRM CCO[C@H](C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21)C1CC1 ZINC001217923132 844677325 /nfs/dbraw/zinc/67/73/25/844677325.db2.gz BTWYBPPDVIBCBG-SCRDCRAPSA-N -1 0 351.407 -0.263 20 0 FBADRM O=C(CCOCC(F)F)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001217923314 844678126 /nfs/dbraw/zinc/67/81/26/844678126.db2.gz LLLKTTHXQTVOPW-VHSXEESVSA-N -1 0 361.349 -0.406 20 0 FBADRM COC(=O)c1nc(C(C)(C)[NH3+])[n-]c(=O)c1OC(=O)[C@H](O)CCC(=O)[O-] ZINC001218212251 844698176 /nfs/dbraw/zinc/69/81/76/844698176.db2.gz MBARDEGLCAUXSQ-ZCFIWIBFSA-N -1 0 357.319 -0.706 20 0 FBADRM CCc1nc2c(c(O[C@H](CN3CCOCC3)CS(=O)(=O)[O-])n1)CNC2 ZINC001218223945 844700005 /nfs/dbraw/zinc/70/00/05/844700005.db2.gz OEDWVQBTECLLMC-LLVKDONJSA-N -1 0 372.447 -0.390 20 0 FBADRM CCc1nc2c(c(O[C@@H](CN3CCOCC3)CS(=O)(=O)[O-])n1)CNC2 ZINC001218223946 844700448 /nfs/dbraw/zinc/70/04/48/844700448.db2.gz OEDWVQBTECLLMC-NSHDSACASA-N -1 0 372.447 -0.390 20 0 FBADRM COCC(C)(C)CC(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001218363231 844704897 /nfs/dbraw/zinc/70/48/97/844704897.db2.gz MIKFMYZRSUGKAC-NWDGAFQWSA-N -1 0 353.423 -0.015 20 0 FBADRM Cc1noc2nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c3c(c12)CC[NH2+]C3 ZINC001218439609 844709251 /nfs/dbraw/zinc/70/92/51/844709251.db2.gz CLZOJJQXOPSUAG-SECBINFHSA-N -1 0 373.258 -0.447 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@H](N)c1ccccc1 ZINC001218601475 844719092 /nfs/dbraw/zinc/71/90/92/844719092.db2.gz CHUNGIQHYUPZRR-SSDOTTSWSA-N -1 0 354.348 -0.951 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@@H](N)c1ccccc1 ZINC001218601476 844719329 /nfs/dbraw/zinc/71/93/29/844719329.db2.gz CHUNGIQHYUPZRR-ZETCQYMHSA-N -1 0 354.348 -0.951 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@@H](N)c1ccsc1 ZINC001218602008 844718987 /nfs/dbraw/zinc/71/89/87/844718987.db2.gz PETOBXUEIODQQD-YFKPBYRVSA-N -1 0 360.377 -0.890 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccc(Cl)c(N)c1 ZINC001218603492 844719399 /nfs/dbraw/zinc/71/93/99/844719399.db2.gz XAZXWGVEFJMRHN-UHFFFAOYSA-N -1 0 374.766 -0.367 20 0 FBADRM CO[C@@H](CC(C)C)C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001218608838 844719337 /nfs/dbraw/zinc/71/93/37/844719337.db2.gz KVVIWZQEYXEUEO-RWMBFGLXSA-N -1 0 353.423 -0.017 20 0 FBADRM CO[C@H](CC(C)C)C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001218608840 844718950 /nfs/dbraw/zinc/71/89/50/844718950.db2.gz KVVIWZQEYXEUEO-YNEHKIRRSA-N -1 0 353.423 -0.017 20 0 FBADRM CC(C)(C)N(C(=O)[C@@H](N)Cc1nnn[n-]1)S(=O)(=O)c1cccc(N)c1 ZINC001218846474 844740665 /nfs/dbraw/zinc/74/06/65/844740665.db2.gz DQEZJYIYKWNVNA-NSHDSACASA-N -1 0 367.435 -0.332 20 0 FBADRM COCCC[C@@H](C)C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001218925196 844747555 /nfs/dbraw/zinc/74/75/55/844747555.db2.gz NQSLYFUXQIOXKX-FRRDWIJNSA-N -1 0 353.423 -0.015 20 0 FBADRM COCCC[C@H](C)C(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001218925204 844747966 /nfs/dbraw/zinc/74/79/66/844747966.db2.gz NQSLYFUXQIOXKX-RWMBFGLXSA-N -1 0 353.423 -0.015 20 0 FBADRM C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001218964295 844750852 /nfs/dbraw/zinc/75/08/52/844750852.db2.gz YOUHFGKCOIMYKJ-DOGNXLDXSA-N -1 0 367.383 -0.811 20 0 FBADRM C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001218964296 844751519 /nfs/dbraw/zinc/75/15/19/844751519.db2.gz YOUHFGKCOIMYKJ-XWTBWJTNSA-N -1 0 367.383 -0.811 20 0 FBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CC[C@H](N)C(=O)OC)cc1 ZINC001219035612 844761239 /nfs/dbraw/zinc/76/12/39/844761239.db2.gz FZNINISSUHLXLT-NSHDSACASA-N -1 0 373.387 -0.050 20 0 FBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)C[C@H](N)C(=O)OC)cc1 ZINC001219035819 844762853 /nfs/dbraw/zinc/76/28/53/844762853.db2.gz MSPSALAIMVTSMJ-JTQLQIEISA-N -1 0 359.360 -0.440 20 0 FBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](N)COC(C)=O)cc1 ZINC001219036107 844762686 /nfs/dbraw/zinc/76/26/86/844762686.db2.gz SBVOJACAEFCYFL-NSHDSACASA-N -1 0 359.360 -0.440 20 0 FBADRM CC(=O)OC[C@H](N)C(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1 ZINC001219227657 844810910 /nfs/dbraw/zinc/81/09/10/844810910.db2.gz HZXZAKIRFKNENE-LBPRGKRZSA-N -1 0 357.388 -0.866 20 0 FBADRM COC(=O)[C@@H](N)CCC(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1 ZINC001219227732 844810899 /nfs/dbraw/zinc/81/08/99/844810899.db2.gz KTBCNCFTSRMUMT-LBPRGKRZSA-N -1 0 371.415 -0.476 20 0 FBADRM COC(=O)[C@@H](N)CC(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1 ZINC001219230649 844811515 /nfs/dbraw/zinc/81/15/15/844811515.db2.gz RIIXYHJWGAMIOA-NSHDSACASA-N -1 0 357.388 -0.866 20 0 FBADRM Cn1cc(N)nc1C(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1 ZINC001219230664 844811305 /nfs/dbraw/zinc/81/13/05/844811305.db2.gz RSYZQGJYNPUUEE-UHFFFAOYSA-N -1 0 351.388 -0.127 20 0 FBADRM O=C(N[C@@H]1CN(CCC[N-]C(=O)C(F)(F)F)C[C@@H]1O)c1cnns1 ZINC001219259565 844819294 /nfs/dbraw/zinc/81/92/94/844819294.db2.gz MTYNBMBDTPVUQX-SFYZADRCSA-N -1 0 367.353 -0.618 20 0 FBADRM O=C(CC(F)(F)F)N[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1O ZINC001219309225 844834278 /nfs/dbraw/zinc/83/42/78/844834278.db2.gz IAVVPHLVXQKEKW-ZJUUUORDSA-N -1 0 359.308 -0.364 20 0 FBADRM CCC(C)(C)NC(=O)CN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001219461198 844876712 /nfs/dbraw/zinc/87/67/12/844876712.db2.gz ASVSNNNENKFRHH-MNOVXSKESA-N -1 0 353.423 -0.497 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)N[C@H](C)C(C)C)C[C@@H]2O)c1[O-] ZINC001219461260 844876971 /nfs/dbraw/zinc/87/69/71/844876971.db2.gz CYUOHSYGUDOILR-JLLWLGSASA-N -1 0 353.423 -0.641 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)N[C@@H](C)C(C)C)C[C@@H]2O)c1[O-] ZINC001219461261 844876943 /nfs/dbraw/zinc/87/69/43/844876943.db2.gz CYUOHSYGUDOILR-WCQGTBRESA-N -1 0 353.423 -0.641 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)NCC3CCC3)C[C@@H]2O)c1[O-] ZINC001219462393 844876774 /nfs/dbraw/zinc/87/67/74/844876774.db2.gz UUYAPBVHDFXWAQ-NEPJUHHUSA-N -1 0 351.407 -0.885 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)N(C)CC3CC3)C[C@@H]2O)c1[O-] ZINC001219462443 844876975 /nfs/dbraw/zinc/87/69/75/844876975.db2.gz XFWDNFWWSSJTAM-NEPJUHHUSA-N -1 0 351.407 -0.933 20 0 FBADRM CCN(C(=O)CN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1)C1CC1 ZINC001219467012 844876842 /nfs/dbraw/zinc/87/68/42/844876842.db2.gz AXRUWANRKPUZMS-NEPJUHHUSA-N -1 0 351.407 -0.790 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CCOC[C@H]3CCCO3)C[C@@H]2O)c1[O-] ZINC001219467057 844876914 /nfs/dbraw/zinc/87/69/14/844876914.db2.gz BPFAWPPJTLBLIO-UPJWGTAASA-N -1 0 354.407 -0.606 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CCOC[C@@H]3CCCO3)C[C@@H]2O)c1[O-] ZINC001219467058 844876537 /nfs/dbraw/zinc/87/65/37/844876537.db2.gz BPFAWPPJTLBLIO-XQQFMLRXSA-N -1 0 354.407 -0.606 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CCOCC(F)(F)F)C[C@@H]2O)c1[O-] ZINC001219467084 844876632 /nfs/dbraw/zinc/87/66/32/844876632.db2.gz CEYAOMIDPSMUCU-BDAKNGLRSA-N -1 0 352.313 -0.222 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NCC(C)C)C[C@@H]2O)c1[O-] ZINC001219467259 844876529 /nfs/dbraw/zinc/87/65/29/844876529.db2.gz HDOQCAKXGNBRNR-TUAOUCFPSA-N -1 0 353.423 -0.641 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@H](C)C(=O)NCC(C)C)C[C@@H]2O)c1[O-] ZINC001219467260 844876503 /nfs/dbraw/zinc/87/65/03/844876503.db2.gz HDOQCAKXGNBRNR-UTUOFQBUSA-N -1 0 353.423 -0.641 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NC(C)(C)C)C[C@@H]2O)c1[O-] ZINC001219467393 844876925 /nfs/dbraw/zinc/87/69/25/844876925.db2.gz KCTCWABVFSGTKR-AXFHLTTASA-N -1 0 353.423 -0.498 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@H](C)C(=O)NC(C)(C)C)C[C@@H]2O)c1[O-] ZINC001219467394 844876787 /nfs/dbraw/zinc/87/67/87/844876787.db2.gz KCTCWABVFSGTKR-MXWKQRLJSA-N -1 0 353.423 -0.498 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)NCC(C)(C)C)C[C@@H]2O)c1[O-] ZINC001219467546 844876940 /nfs/dbraw/zinc/87/69/40/844876940.db2.gz MCDJUXZUOXKPJS-MNOVXSKESA-N -1 0 353.423 -0.639 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)N[C@@H](C)C3CC3)C[C@@H]2O)c1[O-] ZINC001219467560 844877977 /nfs/dbraw/zinc/87/79/77/844877977.db2.gz MLGQZTGEVYXRHU-AXTRIDKLSA-N -1 0 351.407 -0.887 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)N[C@H](C)C3CC3)C[C@@H]2O)c1[O-] ZINC001219467561 844877812 /nfs/dbraw/zinc/87/78/12/844877812.db2.gz MLGQZTGEVYXRHU-FXAINCCUSA-N -1 0 351.407 -0.887 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@@H](C)C(=O)N(C)C(C)C)C[C@@H]2O)c1[O-] ZINC001219467622 844877673 /nfs/dbraw/zinc/87/76/73/844877673.db2.gz PGHZUFCFEXHPBF-TUAOUCFPSA-N -1 0 353.423 -0.546 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@H](C)C(=O)N(C)C(C)C)C[C@@H]2O)c1[O-] ZINC001219467623 844877561 /nfs/dbraw/zinc/87/75/61/844877561.db2.gz PGHZUFCFEXHPBF-UTUOFQBUSA-N -1 0 353.423 -0.546 20 0 FBADRM CCC[C@@H](C)NC(=O)CN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001219467752 844877774 /nfs/dbraw/zinc/87/77/74/844877774.db2.gz QLFQIEDRNRLHOV-JLLWLGSASA-N -1 0 353.423 -0.497 20 0 FBADRM CCC[C@H](C)NC(=O)CN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001219467753 844877896 /nfs/dbraw/zinc/87/78/96/844877896.db2.gz QLFQIEDRNRLHOV-WCQGTBRESA-N -1 0 353.423 -0.497 20 0 FBADRM CCC(CC)NC(=O)CN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001219467954 844877850 /nfs/dbraw/zinc/87/78/50/844877850.db2.gz UOSMRSJJGWWIMX-NEPJUHHUSA-N -1 0 353.423 -0.497 20 0 FBADRM CCS(=O)(=O)CCCN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001219467985 844877627 /nfs/dbraw/zinc/87/76/27/844877627.db2.gz VZSFCKUOSQKWFL-MNOVXSKESA-N -1 0 360.436 -0.977 20 0 FBADRM CCCCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001219468003 844877668 /nfs/dbraw/zinc/87/76/68/844877668.db2.gz WYTANCYRWGZBFP-TUAOUCFPSA-N -1 0 353.423 -0.497 20 0 FBADRM CCCCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001219468004 844877511 /nfs/dbraw/zinc/87/75/11/844877511.db2.gz WYTANCYRWGZBFP-UTUOFQBUSA-N -1 0 353.423 -0.497 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C[C@H](O)CC(F)(F)F)C[C@@H]2O)c1[O-] ZINC001219468025 844877456 /nfs/dbraw/zinc/87/74/56/844877456.db2.gz XYCRCIXMEPFFFX-HLTSFMKQSA-N -1 0 352.313 -0.488 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C[C@@H](O)CC(F)(F)F)C[C@@H]2O)c1[O-] ZINC001219468026 844877355 /nfs/dbraw/zinc/87/73/55/844877355.db2.gz XYCRCIXMEPFFFX-YIZRAAEISA-N -1 0 352.313 -0.488 20 0 FBADRM CCN(CC)C(=O)[C@H](C)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001219468100 844877877 /nfs/dbraw/zinc/87/78/77/844877877.db2.gz ZAVAIIKEZDNJRD-TUAOUCFPSA-N -1 0 353.423 -0.544 20 0 FBADRM CCN(CC)C(=O)[C@@H](C)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001219468102 844877865 /nfs/dbraw/zinc/87/78/65/844877865.db2.gz ZAVAIIKEZDNJRD-UTUOFQBUSA-N -1 0 353.423 -0.544 20 0 FBADRM COC(=O)NC(=S)N(C(=O)[C@@H](N)Cc1nnn[n-]1)c1ccccc1N ZINC001219550271 844904823 /nfs/dbraw/zinc/90/48/23/844904823.db2.gz UXOOMYBUERMAOF-QMMMGPOBSA-N -1 0 364.391 -0.674 20 0 FBADRM CCOCCC1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)CCC1 ZINC001219639939 844940542 /nfs/dbraw/zinc/94/05/42/844940542.db2.gz NDMLRSDQGORXOO-NEPJUHHUSA-N -1 0 353.423 -0.232 20 0 FBADRM Cc1nc(CCCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)cs1 ZINC001219643215 844942215 /nfs/dbraw/zinc/94/22/15/844942215.db2.gz KOHKXEHTGLTQBH-NEPJUHHUSA-N -1 0 366.447 -0.041 20 0 FBADRM O=C(CCCC1CCOCC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219761998 844982059 /nfs/dbraw/zinc/98/20/59/844982059.db2.gz WJDNNWKTELMIBK-OLZOCXBDSA-N -1 0 353.423 -0.232 20 0 FBADRM COCC1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)CCCCC1 ZINC001219763635 844983180 /nfs/dbraw/zinc/98/31/80/844983180.db2.gz YMDARVMLAQWWHG-NEPJUHHUSA-N -1 0 353.423 -0.232 20 0 FBADRM Cc1cnc(CCCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)o1 ZINC001219778775 844989050 /nfs/dbraw/zinc/98/90/50/844989050.db2.gz RWHBYASPWRUGGX-MNOVXSKESA-N -1 0 350.379 -0.509 20 0 FBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2cscn2)C[C@@H]1O ZINC001219910434 845054941 /nfs/dbraw/zinc/05/49/41/845054941.db2.gz CQQOXVAHCBYZGM-MNOVXSKESA-N -1 0 368.419 -0.713 20 0 FBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2ccns2)C[C@@H]1O ZINC001219910639 845054420 /nfs/dbraw/zinc/05/44/20/845054420.db2.gz MJUBJLYOFKEOOY-MNOVXSKESA-N -1 0 368.419 -0.713 20 0 FBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2ccsc2)C[C@@H]1O ZINC001219910788 845054959 /nfs/dbraw/zinc/05/49/59/845054959.db2.gz RXOIVJYOTSDBIR-NEPJUHHUSA-N -1 0 367.431 -0.108 20 0 FBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2cncs2)C[C@@H]1O ZINC001219910841 845054388 /nfs/dbraw/zinc/05/43/88/845054388.db2.gz VFPZUVVRNXNYOI-MNOVXSKESA-N -1 0 368.419 -0.713 20 0 FBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(CCC(F)(F)F)C[C@@H]1O ZINC001219919993 845057079 /nfs/dbraw/zinc/05/70/79/845057079.db2.gz WLUFKQOANFUSOY-BDAKNGLRSA-N -1 0 367.328 -0.417 20 0 FBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(Cc2nccs2)C[C@@H]1O ZINC001219920062 845056436 /nfs/dbraw/zinc/05/64/36/845056436.db2.gz ZMVZWTMOGJOJPH-ZJUUUORDSA-N -1 0 368.419 -0.713 20 0 FBADRM O=C(CCOCC(F)(F)F)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219930232 845062931 /nfs/dbraw/zinc/06/29/31/845062931.db2.gz XMYOFAVGKRVEOH-SFYZADRCSA-N -1 0 353.301 -0.859 20 0 FBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@@H]1CN(Cc2nccs2)C[C@@H]1O ZINC001219937356 845065177 /nfs/dbraw/zinc/06/51/77/845065177.db2.gz ADKHMQLBIVGDOT-ZJUUUORDSA-N -1 0 366.403 -0.967 20 0 FBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@@H]1CN(Cc2cncs2)C[C@@H]1O ZINC001219939615 845066626 /nfs/dbraw/zinc/06/66/26/845066626.db2.gz IVMWYNLLTSCXMK-MNOVXSKESA-N -1 0 366.403 -0.967 20 0 FBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@@H]1CN(Cc2ccsc2)C[C@@H]1O ZINC001219939744 845066775 /nfs/dbraw/zinc/06/67/75/845066775.db2.gz LNUFBPHZUAEUSK-NEPJUHHUSA-N -1 0 365.415 -0.362 20 0 FBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@@H]1CN(Cc2cscn2)C[C@@H]1O ZINC001219939981 845068183 /nfs/dbraw/zinc/06/81/83/845068183.db2.gz SFAMNTGQGCRANF-MNOVXSKESA-N -1 0 366.403 -0.967 20 0 FBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@@H]1CN(Cc2ccns2)C[C@@H]1O ZINC001219940034 845068692 /nfs/dbraw/zinc/06/86/92/845068692.db2.gz VENPHQVSDCLKKD-MNOVXSKESA-N -1 0 366.403 -0.967 20 0 FBADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@@H]1CN(CCC(F)(F)F)C[C@@H]1O ZINC001219940126 845068321 /nfs/dbraw/zinc/06/83/21/845068321.db2.gz VNVXXFLSRMSZCX-BDAKNGLRSA-N -1 0 365.312 -0.671 20 0 FBADRM O=C(N[C@@H]1CN(CCCCC(F)(F)F)C[C@@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001219947833 845071041 /nfs/dbraw/zinc/07/10/41/845071041.db2.gz VNVPXVYUOBBGEL-SFYZADRCSA-N -1 0 365.312 -0.210 20 0 FBADRM Cc1csc(CCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)n1 ZINC001220017561 845100622 /nfs/dbraw/zinc/10/06/22/845100622.db2.gz JKPAHOPBNFJBQE-ZJUUUORDSA-N -1 0 352.420 -0.431 20 0 FBADRM O=C(CCC(F)F)N[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1O ZINC001220019641 845100655 /nfs/dbraw/zinc/10/06/55/845100655.db2.gz VZZFUXIMLXWVQC-MNOVXSKESA-N -1 0 355.345 -0.271 20 0 FBADRM CC(C)(COCC(F)F)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220070240 845119958 /nfs/dbraw/zinc/11/99/58/845119958.db2.gz HCLFFOHVWNPDGJ-BDAKNGLRSA-N -1 0 363.365 -0.521 20 0 FBADRM CCO[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CCCC1 ZINC001220083560 845127460 /nfs/dbraw/zinc/12/74/60/845127460.db2.gz HGXGCHHONZWKPO-DYEKYZERSA-N -1 0 353.423 -0.233 20 0 FBADRM CCO[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CCCC1 ZINC001220083561 845127999 /nfs/dbraw/zinc/12/79/99/845127999.db2.gz HGXGCHHONZWKPO-MBNYWOFBSA-N -1 0 353.423 -0.233 20 0 FBADRM C[C@H]1[C@H](NC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2)C(=O)N1S(=O)(=O)[O-] ZINC001220099288 845132411 /nfs/dbraw/zinc/13/24/11/845132411.db2.gz JFKDDTICLPSIPP-OSMVPFSASA-N -1 0 359.326 -0.565 20 0 FBADRM C[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)N(C)CC(F)(F)F ZINC001220211753 845163721 /nfs/dbraw/zinc/16/37/21/845163721.db2.gz RCEKRGJABQBJPH-HLTSFMKQSA-N -1 0 366.344 -0.946 20 0 FBADRM C[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)N(C)CC(F)(F)F ZINC001220211762 845163700 /nfs/dbraw/zinc/16/37/00/845163700.db2.gz RCEKRGJABQBJPH-YIZRAAEISA-N -1 0 366.344 -0.946 20 0 FBADRM [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)NCCOP(=O)([O-])[O-] ZINC001220220839 845168314 /nfs/dbraw/zinc/16/83/14/845168314.db2.gz HHIZELJYNYBHRN-ZETCQYMHSA-N -1 0 365.245 -0.612 20 0 FBADRM CC[C@H](OC1CCCC1)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220450873 845250478 /nfs/dbraw/zinc/25/04/78/845250478.db2.gz ZCPISMSUKHPRSJ-AGIUHOORSA-N -1 0 353.423 -0.091 20 0 FBADRM CC[C@@H](OC1CCCC1)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220450874 845250861 /nfs/dbraw/zinc/25/08/61/845250861.db2.gz ZCPISMSUKHPRSJ-FRRDWIJNSA-N -1 0 353.423 -0.091 20 0 FBADRM Cc1nc(CCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)cs1 ZINC001220474614 845261516 /nfs/dbraw/zinc/26/15/16/845261516.db2.gz WIOLOLBPLJKQHS-MNOVXSKESA-N -1 0 352.420 -0.431 20 0 FBADRM NCc1ncc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])s1 ZINC001220551221 845292868 /nfs/dbraw/zinc/29/28/68/845292868.db2.gz RAHRXZCNUDNTGJ-VIFPVBQESA-N -1 0 366.403 -0.743 20 0 FBADRM N[C@H](C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])c1ccsc1 ZINC001220551642 845293603 /nfs/dbraw/zinc/29/36/03/845293603.db2.gz WAKRQJPYEUWALQ-AAEUAGOBSA-N -1 0 365.415 -0.211 20 0 FBADRM Cc1ncsc1CCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220664637 845339250 /nfs/dbraw/zinc/33/92/50/845339250.db2.gz SWRWLOYOHJNCPI-ZJUUUORDSA-N -1 0 352.420 -0.431 20 0 FBADRM CO[C@@H](CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C(F)(F)F ZINC001220703232 845354067 /nfs/dbraw/zinc/35/40/67/845354067.db2.gz OLUBDAPDQSMWAH-CSMHCCOUSA-N -1 0 353.301 -0.861 20 0 FBADRM CO[C@H](CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C(F)(F)F ZINC001220703233 845354474 /nfs/dbraw/zinc/35/44/74/845354474.db2.gz OLUBDAPDQSMWAH-GJMOJQLCSA-N -1 0 353.301 -0.861 20 0 FBADRM CCOCCOCCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220755896 845377980 /nfs/dbraw/zinc/37/79/80/845377980.db2.gz ZTGCCMJQQWNBOD-NEPJUHHUSA-N -1 0 357.411 -0.995 20 0 FBADRM CO[N-]C(=O)CNC(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 ZINC001220822928 845406720 /nfs/dbraw/zinc/40/67/20/845406720.db2.gz PNMQGFTYPQSJAO-UHFFFAOYSA-N -1 0 372.447 -0.009 20 0 FBADRM CC1(C)CO[C@@H](CCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)C1 ZINC001220854079 845414882 /nfs/dbraw/zinc/41/48/82/845414882.db2.gz ROJVVASORTUCNC-TUAOUCFPSA-N -1 0 353.423 -0.233 20 0 FBADRM CC1(C)CO[C@H](CCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)C1 ZINC001220854080 845414924 /nfs/dbraw/zinc/41/49/24/845414924.db2.gz ROJVVASORTUCNC-UTUOFQBUSA-N -1 0 353.423 -0.233 20 0 FBADRM O=C(COc1ccc(Cl)cc1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220886011 845427083 /nfs/dbraw/zinc/42/70/83/845427083.db2.gz JLRGPRWOPFKQHJ-NEPJUHHUSA-N -1 0 367.793 -0.096 20 0 FBADRM O=C(COc1cccc(Cl)c1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220940298 845442370 /nfs/dbraw/zinc/44/23/70/845442370.db2.gz RFHJSTDGPLXFGW-NEPJUHHUSA-N -1 0 367.793 -0.096 20 0 FBADRM Cc1noc(C)c1CCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220949519 845444829 /nfs/dbraw/zinc/44/48/29/845444829.db2.gz IRTKDXIIUAEFDZ-NEPJUHHUSA-N -1 0 350.379 -0.591 20 0 FBADRM O=C(COc1ccc(F)cc1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220953556 845446297 /nfs/dbraw/zinc/44/62/97/845446297.db2.gz QRTHZSMXXPVIBX-NEPJUHHUSA-N -1 0 351.338 -0.610 20 0 FBADRM O=C(COc1ccccc1Cl)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220963008 845447635 /nfs/dbraw/zinc/44/76/35/845447635.db2.gz DTHASFMHXZOQEO-MNOVXSKESA-N -1 0 367.793 -0.096 20 0 FBADRM O=C(COc1cccc(F)c1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220964270 845448855 /nfs/dbraw/zinc/44/88/55/845448855.db2.gz NKVZFFWHHPAEJQ-NEPJUHHUSA-N -1 0 351.338 -0.610 20 0 FBADRM O=C(COc1ccccc1F)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220971694 845451625 /nfs/dbraw/zinc/45/16/25/845451625.db2.gz UUTSDTNVRIADRX-MNOVXSKESA-N -1 0 351.338 -0.610 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CN(Cc2cnon2)C[C@@H]1O ZINC001221057060 845484672 /nfs/dbraw/zinc/48/46/72/845484672.db2.gz WEPRMRARNMNVRS-BDAKNGLRSA-N -1 0 365.312 -0.812 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CN(Cc2ccon2)C[C@@H]1O ZINC001221057078 845486200 /nfs/dbraw/zinc/48/62/00/845486200.db2.gz WYENFIPNRXMIJN-ZJUUUORDSA-N -1 0 364.324 -0.207 20 0 FBADRM O=C(CCn1cc(Cl)cn1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001221066503 845490831 /nfs/dbraw/zinc/49/08/31/845490831.db2.gz ZYNNRTWMHYZHRL-ZJUUUORDSA-N -1 0 355.786 -0.888 20 0 FBADRM CS(=O)(=O)N1CCC(NC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CC1 ZINC001221113301 845513926 /nfs/dbraw/zinc/51/39/26/845513926.db2.gz ITZKFVQQIAESDQ-JTQLQIEISA-N -1 0 372.451 -0.177 20 0 FBADRM CS(=O)(=O)N1CCC(NC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CC1 ZINC001221113302 845514041 /nfs/dbraw/zinc/51/40/41/845514041.db2.gz ITZKFVQQIAESDQ-SNVBAGLBSA-N -1 0 372.451 -0.177 20 0 FBADRM Cc1noc(Cl)c1CCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001221145959 845523118 /nfs/dbraw/zinc/52/31/18/845523118.db2.gz QXLBOVZFGGBATC-ZJUUUORDSA-N -1 0 370.797 -0.246 20 0 FBADRM CC1CCC(OCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)CC1 ZINC001221165978 845532205 /nfs/dbraw/zinc/53/22/05/845532205.db2.gz DRVAXVCGDOZVFD-TUUUFIMRSA-N -1 0 353.423 -0.233 20 0 FBADRM O=C(CCc1cncc(F)c1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001221188231 845541612 /nfs/dbraw/zinc/54/16/12/845541612.db2.gz LRJLEAYVGYNWPB-NEPJUHHUSA-N -1 0 350.354 -0.662 20 0 FBADRM O=C(CC(F)(F)C(F)(F)F)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001221191020 845543779 /nfs/dbraw/zinc/54/37/79/845543779.db2.gz DQAVFMQBKMGGCX-RITPCOANSA-N -1 0 359.255 -0.241 20 0 FBADRM CO[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CCCCC1 ZINC001221211471 845550958 /nfs/dbraw/zinc/55/09/58/845550958.db2.gz QDRREDLHJKHVCD-DYEKYZERSA-N -1 0 353.423 -0.233 20 0 FBADRM CO[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CCCCC1 ZINC001221211472 845550578 /nfs/dbraw/zinc/55/05/78/845550578.db2.gz QDRREDLHJKHVCD-MBNYWOFBSA-N -1 0 353.423 -0.233 20 0 FBADRM CC(C)(C)OC[C@H](N)C(=O)NCC(=O)n1[n-]c2ccnc(=O)c-2c1N ZINC001221237601 845553248 /nfs/dbraw/zinc/55/32/48/845553248.db2.gz SQQOUVYHDCBJFD-QMMMGPOBSA-N -1 0 350.379 -0.843 20 0 FBADRM CNC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001221480616 845585038 /nfs/dbraw/zinc/58/50/38/845585038.db2.gz QNILZOKYTIAFPG-NXEZZACHSA-N -1 0 350.379 -0.974 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CCN(CCN(C)S(C)(=O)=O)C[C@H]32)c1[O-] ZINC001221481610 845585130 /nfs/dbraw/zinc/58/51/30/845585130.db2.gz AJODZQPGDUZAEA-VXGBXAGGSA-N -1 0 371.463 -0.539 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CCN([C@@H](C)C(=O)NC(N)=O)C[C@H]32)c1[O-] ZINC001221481745 845584488 /nfs/dbraw/zinc/58/44/88/845584488.db2.gz HJGGLEICYJUFQP-IVZWLZJFSA-N -1 0 350.379 -0.847 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CCN([C@H](C)C(=O)NC(N)=O)C[C@H]32)c1[O-] ZINC001221481746 845584567 /nfs/dbraw/zinc/58/45/67/845584567.db2.gz HJGGLEICYJUFQP-OPRDCNLKSA-N -1 0 350.379 -0.847 20 0 FBADRM CCS(=O)(=O)NCCN1CC[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001221481909 845584644 /nfs/dbraw/zinc/58/46/44/845584644.db2.gz NMHMXNACNXRTSS-VXGBXAGGSA-N -1 0 371.463 -0.491 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@H]3CCN(CCNS(C)(=O)=O)C[C@H]32)c1[O-] ZINC001221482107 845584339 /nfs/dbraw/zinc/58/43/39/845584339.db2.gz XOUHIQYVKUHEMH-GHMZBOCLSA-N -1 0 357.436 -0.881 20 0 FBADRM CO[N-]C(=O)CNC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001221490820 845586905 /nfs/dbraw/zinc/58/69/05/845586905.db2.gz OOWDVWPDBJKYNL-UHFFFAOYSA-N -1 0 370.431 -0.052 20 0 FBADRM CC(C)C(=O)N(C)CC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221589424 845611651 /nfs/dbraw/zinc/61/16/51/845611651.db2.gz NNZQFAFCTLVLRE-VXGBXAGGSA-N -1 0 350.423 -0.343 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001221634157 845623522 /nfs/dbraw/zinc/62/35/22/845623522.db2.gz QLRCPHYVWCDCOM-LLVKDONJSA-N -1 0 374.385 -0.222 20 0 FBADRM CCS(=O)(=O)NCCNC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001221634158 845624130 /nfs/dbraw/zinc/62/41/30/845624130.db2.gz QLRCPHYVWCDCOM-NSHDSACASA-N -1 0 374.385 -0.222 20 0 FBADRM CC(C)CS(=O)(=O)CC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221651111 845627960 /nfs/dbraw/zinc/62/79/60/845627960.db2.gz XOHSXCQOBISQNI-VXGBXAGGSA-N -1 0 371.463 -0.386 20 0 FBADRM NC(=O)NCCCCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221676332 845634538 /nfs/dbraw/zinc/63/45/38/845634538.db2.gz OQUSVSILUQLMSI-GHMZBOCLSA-N -1 0 351.411 -0.618 20 0 FBADRM COC[C@@]1(C(=O)N2C[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CCOC1 ZINC001221716834 845640256 /nfs/dbraw/zinc/64/02/56/845640256.db2.gz NWFJCZXBAPNAGC-HSMVNMDESA-N -1 0 351.407 -0.404 20 0 FBADRM COC[C@]1(C(=O)N2C[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)CCOC1 ZINC001221716835 845640174 /nfs/dbraw/zinc/64/01/74/845640174.db2.gz NWFJCZXBAPNAGC-XHBSWPGZSA-N -1 0 351.407 -0.404 20 0 FBADRM O=C(COC[C@@H]1CCOC1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221845477 845662570 /nfs/dbraw/zinc/66/25/70/845662570.db2.gz OPJWIIXHEXLVCP-JHJVBQTASA-N -1 0 351.407 -0.404 20 0 FBADRM O=C(COC[C@H]1CCOC1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221845478 845662626 /nfs/dbraw/zinc/66/26/26/845662626.db2.gz OPJWIIXHEXLVCP-YNEHKIRRSA-N -1 0 351.407 -0.404 20 0 FBADRM CC(=O)NCC(C)(C)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221864954 845666705 /nfs/dbraw/zinc/66/67/05/845666705.db2.gz NXFVUIAGCQVSEU-VXGBXAGGSA-N -1 0 350.423 -0.295 20 0 FBADRM CS(=O)(=O)CCCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221867534 845667812 /nfs/dbraw/zinc/66/78/12/845667812.db2.gz UUUVSGCUHJAKFW-GHMZBOCLSA-N -1 0 357.436 -0.632 20 0 FBADRM O=C(NCC(F)(F)F)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221901936 845673900 /nfs/dbraw/zinc/67/39/00/845673900.db2.gz AFGBUOMQCDOBBR-HTQZYQBOSA-N -1 0 362.312 -0.779 20 0 FBADRM COCCCOCCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221929029 845679600 /nfs/dbraw/zinc/67/96/00/845679600.db2.gz OOLADKDAKPCOLA-CHWSQXEVSA-N -1 0 353.423 -0.014 20 0 FBADRM CC(C)(C)S(=O)(=O)CC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221948387 845682627 /nfs/dbraw/zinc/68/26/27/845682627.db2.gz UDKMOYBPRULSHO-GHMZBOCLSA-N -1 0 371.463 -0.244 20 0 FBADRM CN(C)C(=O)CCCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221952676 845684436 /nfs/dbraw/zinc/68/44/36/845684436.db2.gz KBCPLCHZUAXATG-VXGBXAGGSA-N -1 0 350.423 -0.199 20 0 FBADRM CCCNC(=O)CCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221955539 845683879 /nfs/dbraw/zinc/68/38/79/845683879.db2.gz JAPPGCSZQDNSIS-VXGBXAGGSA-N -1 0 350.423 -0.151 20 0 FBADRM CCNC(=O)CCCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221957119 845684127 /nfs/dbraw/zinc/68/41/27/845684127.db2.gz QNKSEPIVXKMPLA-VXGBXAGGSA-N -1 0 350.423 -0.151 20 0 FBADRM CC(=O)N[C@@H](C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)C(C)C ZINC001221962492 845683902 /nfs/dbraw/zinc/68/39/02/845683902.db2.gz GSJSXWYWQOBWIF-YRGRVCCFSA-N -1 0 350.423 -0.296 20 0 FBADRM CCC[C@@H](NC(N)=O)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221979835 845685453 /nfs/dbraw/zinc/68/54/53/845685453.db2.gz QQVAHUDTVAEJNX-GMTAPVOTSA-N -1 0 351.411 -0.620 20 0 FBADRM CC(=O)N(C)CCCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001221986019 845687036 /nfs/dbraw/zinc/68/70/36/845687036.db2.gz KPVQXIJNHZRKNA-CHWSQXEVSA-N -1 0 350.423 -0.199 20 0 FBADRM CC(C)(C)C(=O)NCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001222011093 845692676 /nfs/dbraw/zinc/69/26/76/845692676.db2.gz NIPIVXJZXIDFOQ-GHMZBOCLSA-N -1 0 350.423 -0.295 20 0 FBADRM CC[C@@H](C)C(=O)NCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001222022938 845697447 /nfs/dbraw/zinc/69/74/47/845697447.db2.gz DGWDVFDNSJXOBQ-IJLUTSLNSA-N -1 0 350.423 -0.295 20 0 FBADRM CC[C@H](C)C(=O)NCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001222022939 845697199 /nfs/dbraw/zinc/69/71/99/845697199.db2.gz DGWDVFDNSJXOBQ-QJPTWQEYSA-N -1 0 350.423 -0.295 20 0 FBADRM CC(C)S(=O)(=O)CC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001222026335 845698216 /nfs/dbraw/zinc/69/82/16/845698216.db2.gz KELYAIOIYWKDFR-GHMZBOCLSA-N -1 0 357.436 -0.634 20 0 FBADRM CCCS(=O)(=O)CC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001222026586 845698237 /nfs/dbraw/zinc/69/82/37/845698237.db2.gz ROBSPICCWHXRSE-GHMZBOCLSA-N -1 0 357.436 -0.632 20 0 FBADRM CNC(=O)CN1CC[C@@H]2CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@@H]2C1 ZINC001222038593 845700769 /nfs/dbraw/zinc/70/07/69/845700769.db2.gz IXFCMAHMURUMML-NXEZZACHSA-N -1 0 364.368 -0.278 20 0 FBADRM C[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@@H]2C1 ZINC001222041900 845700445 /nfs/dbraw/zinc/70/04/45/845700445.db2.gz KOVUQSVSQLHMDV-IVZWLZJFSA-N -1 0 364.368 -0.150 20 0 FBADRM C[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@@H]2C1 ZINC001222041901 845700572 /nfs/dbraw/zinc/70/05/72/845700572.db2.gz KOVUQSVSQLHMDV-OPRDCNLKSA-N -1 0 364.368 -0.150 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1C[C@H]2CCN(CC(N)=O)C[C@H]21 ZINC001222042155 845700204 /nfs/dbraw/zinc/70/02/04/845700204.db2.gz YHRCTNFUJDOUFX-RKDXNWHRSA-N -1 0 350.341 -0.539 20 0 FBADRM CCOCCO[C@H](C)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001222043897 845701808 /nfs/dbraw/zinc/70/18/08/845701808.db2.gz HKMVOBDKOMNDSP-JHJVBQTASA-N -1 0 353.423 -0.015 20 0 FBADRM CCOCCO[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001222043898 845701991 /nfs/dbraw/zinc/70/19/91/845701991.db2.gz HKMVOBDKOMNDSP-YNEHKIRRSA-N -1 0 353.423 -0.015 20 0 FBADRM CNC(=O)NC(C)(C)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001222045155 845701787 /nfs/dbraw/zinc/70/17/87/845701787.db2.gz ADJHYXXSCHEQKQ-NXEZZACHSA-N -1 0 351.411 -0.749 20 0 FBADRM CCCCS(=O)(=O)CC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001222055928 845704016 /nfs/dbraw/zinc/70/40/16/845704016.db2.gz MHDVZVRAWBQKBV-VXGBXAGGSA-N -1 0 371.463 -0.242 20 0 FBADRM C[C@H](CS(C)(=O)=O)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001222056964 845705022 /nfs/dbraw/zinc/70/50/22/845705022.db2.gz PLOBXRDNPIDCLL-GMTAPVOTSA-N -1 0 357.436 -0.776 20 0 FBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001222056967 845705202 /nfs/dbraw/zinc/70/52/02/845705202.db2.gz PLOBXRDNPIDCLL-HBNTYKKESA-N -1 0 357.436 -0.776 20 0 FBADRM CNC(=O)CCCCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001222066601 845706056 /nfs/dbraw/zinc/70/60/56/845706056.db2.gz TWHUVDJCJHALGG-VXGBXAGGSA-N -1 0 350.423 -0.151 20 0 FBADRM CC(C)(CS(C)(=O)=O)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001222069566 845706190 /nfs/dbraw/zinc/70/61/90/845706190.db2.gz RMFRJJMCZUDBQI-GHMZBOCLSA-N -1 0 371.463 -0.386 20 0 FBADRM O=C(COC[C@@H]1CCCO1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001222130143 845709208 /nfs/dbraw/zinc/70/92/08/845709208.db2.gz PAYWWQCOECHXRE-FRRDWIJNSA-N -1 0 351.407 -0.261 20 0 FBADRM O=C(COC[C@H]1CCCO1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001222130152 845708736 /nfs/dbraw/zinc/70/87/36/845708736.db2.gz PAYWWQCOECHXRE-JHJVBQTASA-N -1 0 351.407 -0.261 20 0 FBADRM CC(C)C[C@@H](C(N)=O)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001222142043 845709661 /nfs/dbraw/zinc/70/96/61/845709661.db2.gz FRQONHOVMTXICJ-GRYCIOLGSA-N -1 0 350.423 -0.309 20 0 FBADRM CC(C)C[C@H](C(N)=O)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001222142061 845709978 /nfs/dbraw/zinc/70/99/78/845709978.db2.gz FRQONHOVMTXICJ-IJLUTSLNSA-N -1 0 350.423 -0.309 20 0 FBADRM CO[N-]C(=O)CNC(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC001222249479 845713159 /nfs/dbraw/zinc/71/31/59/845713159.db2.gz XIOFKUZFKOYLLQ-GFCCVEGCSA-N -1 0 350.375 -0.357 20 0 FBADRM CO[N-]C(=O)CNC(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC001222249484 845712393 /nfs/dbraw/zinc/71/23/93/845712393.db2.gz XIOFKUZFKOYLLQ-LBPRGKRZSA-N -1 0 350.375 -0.357 20 0 FBADRM CCCC(=O)NCC(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001222371708 845718951 /nfs/dbraw/zinc/71/89/51/845718951.db2.gz PJAGYBYEECEEMG-NEPJUHHUSA-N -1 0 350.423 -0.151 20 0 FBADRM CCNC(=O)CCC(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001222428057 845719778 /nfs/dbraw/zinc/71/97/78/845719778.db2.gz CQAQAJSOWPJANS-NEPJUHHUSA-N -1 0 350.423 -0.151 20 0 FBADRM COCc1nc(CO[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])no1 ZINC001222462771 845720174 /nfs/dbraw/zinc/72/01/74/845720174.db2.gz BUFKGNDYZNGGEO-JTQLQIEISA-N -1 0 351.381 -0.679 20 0 FBADRM COCc1nc(CO[C@H](CN2CCOCC2)CS(=O)(=O)[O-])no1 ZINC001222462772 845719844 /nfs/dbraw/zinc/71/98/44/845719844.db2.gz BUFKGNDYZNGGEO-SNVBAGLBSA-N -1 0 351.381 -0.679 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3CCN(CCNS(C)(=O)=O)[C@H]3C2)c1[O-] ZINC001222522865 845721985 /nfs/dbraw/zinc/72/19/85/845721985.db2.gz LWNFBGBTTCMQHK-NEPJUHHUSA-N -1 0 371.463 -0.491 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3CCN(CC(=O)NC(N)=O)[C@H]3C2)c1[O-] ZINC001222523106 845721196 /nfs/dbraw/zinc/72/11/96/845721196.db2.gz RODHQKKOSCNHPJ-ZJUUUORDSA-N -1 0 350.379 -0.845 20 0 FBADRM CNC(=O)CCCC(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001222567958 845724247 /nfs/dbraw/zinc/72/42/47/845724247.db2.gz QLYNWALJBBFQSV-NEPJUHHUSA-N -1 0 350.423 -0.151 20 0 FBADRM CNC(=O)NCCC(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001222636712 845729082 /nfs/dbraw/zinc/72/90/82/845729082.db2.gz OBGLXNFDSBHCFM-MNOVXSKESA-N -1 0 351.411 -0.748 20 0 FBADRM C[C@@H](CC(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1)NC(N)=O ZINC001222683296 845730561 /nfs/dbraw/zinc/73/05/61/845730561.db2.gz IHOWMTSQISDDOC-AXFHLTTASA-N -1 0 351.411 -0.620 20 0 FBADRM C[C@H](CC(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1)NC(N)=O ZINC001222683297 845730763 /nfs/dbraw/zinc/73/07/63/845730763.db2.gz IHOWMTSQISDDOC-MXWKQRLJSA-N -1 0 351.411 -0.620 20 0 FBADRM O=C([O-])C[C@@H](O)C(=O)OCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001222748863 845731967 /nfs/dbraw/zinc/73/19/67/845731967.db2.gz DJYFVSUOJAKUSH-CYBMUJFWSA-N -1 0 373.383 -0.414 20 0 FBADRM O=C([O-])C[C@H](O)C(=O)OCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001222748931 845731389 /nfs/dbraw/zinc/73/13/89/845731389.db2.gz DJYFVSUOJAKUSH-ZDUSSCGKSA-N -1 0 373.383 -0.414 20 0 FBADRM COC(=O)c1ncccc1CO[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001222750919 845731221 /nfs/dbraw/zinc/73/12/21/845731221.db2.gz QHCIAHKSLLSBAY-CYBMUJFWSA-N -1 0 374.415 -0.027 20 0 FBADRM COC(=O)c1ncccc1CO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001222750920 845732055 /nfs/dbraw/zinc/73/20/55/845732055.db2.gz QHCIAHKSLLSBAY-ZDUSSCGKSA-N -1 0 374.415 -0.027 20 0 FBADRM CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001222751503 845731429 /nfs/dbraw/zinc/73/14/29/845731429.db2.gz IBVZDERAVHXVRJ-TUAOUCFPSA-N -1 0 350.423 -0.152 20 0 FBADRM CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001222751505 845731566 /nfs/dbraw/zinc/73/15/66/845731566.db2.gz IBVZDERAVHXVRJ-UTUOFQBUSA-N -1 0 350.423 -0.152 20 0 FBADRM NC(=O)c1cccc(CO[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001222958657 845740286 /nfs/dbraw/zinc/74/02/86/845740286.db2.gz ZMRSLRVNMJSVEH-AWEZNQCLSA-N -1 0 358.416 -0.109 20 0 FBADRM NC(=O)c1cccc(CO[C@H](CN2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001222958658 845740335 /nfs/dbraw/zinc/74/03/35/845740335.db2.gz ZMRSLRVNMJSVEH-CQSZACIVSA-N -1 0 358.416 -0.109 20 0 FBADRM COC(=O)c1ccc(CO[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])nc1 ZINC001222967869 845739867 /nfs/dbraw/zinc/73/98/67/845739867.db2.gz YPQDVNRPUMFWBY-AWEZNQCLSA-N -1 0 374.415 -0.027 20 0 FBADRM COC(=O)c1ccc(CO[C@H](CN2CCOCC2)CS(=O)(=O)[O-])nc1 ZINC001222967870 845740329 /nfs/dbraw/zinc/74/03/29/845740329.db2.gz YPQDVNRPUMFWBY-CQSZACIVSA-N -1 0 374.415 -0.027 20 0 FBADRM CS(=O)(=O)CCC(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001222985491 845740391 /nfs/dbraw/zinc/74/03/91/845740391.db2.gz FFPAPZYKPCZESR-MNOVXSKESA-N -1 0 357.436 -0.632 20 0 FBADRM O=C(NCC(F)F)C(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001223046024 845742410 /nfs/dbraw/zinc/74/24/10/845742410.db2.gz DKDIBHHKENOCGM-BDAKNGLRSA-N -1 0 358.349 -0.686 20 0 FBADRM O=C([O-])C[C@@H](O)C(=O)OCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC001223076503 845745065 /nfs/dbraw/zinc/74/50/65/845745065.db2.gz VDYUXJXHAOYHCR-GFCCVEGCSA-N -1 0 373.383 -0.414 20 0 FBADRM O=C([O-])C[C@H](O)C(=O)OCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC001223076506 845745055 /nfs/dbraw/zinc/74/50/55/845745055.db2.gz VDYUXJXHAOYHCR-LBPRGKRZSA-N -1 0 373.383 -0.414 20 0 FBADRM NC(=O)c1ccc(CO[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])cc1 ZINC001223102918 845744967 /nfs/dbraw/zinc/74/49/67/845744967.db2.gz HBNFPJUNRCZWID-AWEZNQCLSA-N -1 0 358.416 -0.109 20 0 FBADRM NC(=O)c1ccc(CO[C@H](CN2CCOCC2)CS(=O)(=O)[O-])cc1 ZINC001223102920 845744915 /nfs/dbraw/zinc/74/49/15/845744915.db2.gz HBNFPJUNRCZWID-CQSZACIVSA-N -1 0 358.416 -0.109 20 0 FBADRM COC(=O)c1cccc(CO[C@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001223294670 845752999 /nfs/dbraw/zinc/75/29/99/845752999.db2.gz CNVUAUWKVOXHJO-CYBMUJFWSA-N -1 0 374.415 -0.027 20 0 FBADRM COC(=O)c1cccc(CO[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001223294673 845752447 /nfs/dbraw/zinc/75/24/47/845752447.db2.gz CNVUAUWKVOXHJO-ZDUSSCGKSA-N -1 0 374.415 -0.027 20 0 FBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)OCc1cn2ccncc2n1 ZINC001223324770 845752686 /nfs/dbraw/zinc/75/26/86/845752686.db2.gz HADIJKDLXGTQSJ-CYBMUJFWSA-N -1 0 356.404 -0.166 20 0 FBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)OCc1cn2ccncc2n1 ZINC001223324771 845752460 /nfs/dbraw/zinc/75/24/60/845752460.db2.gz HADIJKDLXGTQSJ-ZDUSSCGKSA-N -1 0 356.404 -0.166 20 0 FBADRM COC(=O)c1cccnc1CO[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001223437415 845757283 /nfs/dbraw/zinc/75/72/83/845757283.db2.gz XEFIJNZHSVVCAU-GFCCVEGCSA-N -1 0 374.415 -0.027 20 0 FBADRM COC(=O)c1cccnc1CO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001223437416 845757362 /nfs/dbraw/zinc/75/73/62/845757362.db2.gz XEFIJNZHSVVCAU-LBPRGKRZSA-N -1 0 374.415 -0.027 20 0 FBADRM COC[C@H](OC)C(=O)N1CC[C@H]2CCN(Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001223467355 845756684 /nfs/dbraw/zinc/75/66/84/845756684.db2.gz FEYDMDPTSCFFDR-AGIUHOORSA-N -1 0 353.423 -0.807 20 0 FBADRM COC[C@@H](OC)C(=O)N1CC[C@H]2CCN(Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001223467362 845757153 /nfs/dbraw/zinc/75/71/53/845757153.db2.gz FEYDMDPTSCFFDR-FRRDWIJNSA-N -1 0 353.423 -0.807 20 0 FBADRM COC(=O)c1cncc(CO[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001223489941 845758400 /nfs/dbraw/zinc/75/84/00/845758400.db2.gz KQWDJVYTPRORQI-AWEZNQCLSA-N -1 0 374.415 -0.027 20 0 FBADRM COC(=O)c1cncc(CO[C@H](CN2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001223489942 845758246 /nfs/dbraw/zinc/75/82/46/845758246.db2.gz KQWDJVYTPRORQI-CQSZACIVSA-N -1 0 374.415 -0.027 20 0 FBADRM COC(=O)c1ccc(CO[C@H](CN2CCOCC2)CS(=O)(=O)[O-])cn1 ZINC001223532198 845759122 /nfs/dbraw/zinc/75/91/22/845759122.db2.gz OWPFWWLWXLFLPM-CYBMUJFWSA-N -1 0 374.415 -0.027 20 0 FBADRM COC(=O)c1ccc(CO[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])cn1 ZINC001223532199 845759606 /nfs/dbraw/zinc/75/96/06/845759606.db2.gz OWPFWWLWXLFLPM-ZDUSSCGKSA-N -1 0 374.415 -0.027 20 0 FBADRM CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001223554274 845759690 /nfs/dbraw/zinc/75/96/90/845759690.db2.gz DKWDOOCMLAJIGS-AGIUHOORSA-N -1 0 350.423 -0.152 20 0 FBADRM CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001223554281 845759204 /nfs/dbraw/zinc/75/92/04/845759204.db2.gz DKWDOOCMLAJIGS-UPJWGTAASA-N -1 0 350.423 -0.152 20 0 FBADRM COCCO[C@H](C)C(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001223614383 845761413 /nfs/dbraw/zinc/76/14/13/845761413.db2.gz WDPFDRXNVVPKFP-UPJWGTAASA-N -1 0 353.423 -0.015 20 0 FBADRM COCCO[C@@H](C)C(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001223614388 845762113 /nfs/dbraw/zinc/76/21/13/845762113.db2.gz WDPFDRXNVVPKFP-XQQFMLRXSA-N -1 0 353.423 -0.015 20 0 FBADRM CS(=O)(=O)CCCC(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001223675117 845763726 /nfs/dbraw/zinc/76/37/26/845763726.db2.gz SWLMWVULXREAQZ-NEPJUHHUSA-N -1 0 371.463 -0.242 20 0 FBADRM NC(=O)c1ccccc1CO[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001223721571 845766073 /nfs/dbraw/zinc/76/60/73/845766073.db2.gz IOELFGKKPFPAGW-CYBMUJFWSA-N -1 0 358.416 -0.109 20 0 FBADRM NC(=O)c1ccccc1CO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001223721573 845766130 /nfs/dbraw/zinc/76/61/30/845766130.db2.gz IOELFGKKPFPAGW-ZDUSSCGKSA-N -1 0 358.416 -0.109 20 0 FBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)OCc1nccc2c1OCO2 ZINC001223751617 845767007 /nfs/dbraw/zinc/76/70/07/845767007.db2.gz NSJWJWVWSLCYND-LLVKDONJSA-N -1 0 360.388 -0.085 20 0 FBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)OCc1nccc2c1OCO2 ZINC001223751619 845766473 /nfs/dbraw/zinc/76/64/73/845766473.db2.gz NSJWJWVWSLCYND-NSHDSACASA-N -1 0 360.388 -0.085 20 0 FBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)OCn1nnc2ccccc21 ZINC001223802961 845769361 /nfs/dbraw/zinc/76/93/61/845769361.db2.gz ZIPWXIITRWJOER-GFCCVEGCSA-N -1 0 356.404 -0.006 20 0 FBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)OCn1nnc2ccccc21 ZINC001223802962 845769151 /nfs/dbraw/zinc/76/91/51/845769151.db2.gz ZIPWXIITRWJOER-LBPRGKRZSA-N -1 0 356.404 -0.006 20 0 FBADRM COCCCOCC(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001223875255 845770481 /nfs/dbraw/zinc/77/04/81/845770481.db2.gz UTPPLRJTBHGWND-OLZOCXBDSA-N -1 0 353.423 -0.014 20 0 FBADRM NC(=O)CCCCC(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001223883810 845769852 /nfs/dbraw/zinc/76/98/52/845769852.db2.gz WFKIEDOLRJJZMX-NEPJUHHUSA-N -1 0 350.423 -0.021 20 0 FBADRM COC(=O)c1ccnc(CO[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001223986544 845772844 /nfs/dbraw/zinc/77/28/44/845772844.db2.gz LNUJXDRTEDHUOP-AWEZNQCLSA-N -1 0 374.415 -0.027 20 0 FBADRM COC(=O)c1ccnc(CO[C@H](CN2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001223986545 845772717 /nfs/dbraw/zinc/77/27/17/845772717.db2.gz LNUJXDRTEDHUOP-CQSZACIVSA-N -1 0 374.415 -0.027 20 0 FBADRM CO[N-]C(=O)CNC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001224141147 845775284 /nfs/dbraw/zinc/77/52/84/845775284.db2.gz FQBMAZAWAMBZDE-JTQLQIEISA-N -1 0 358.420 -0.025 20 0 FBADRM CO[N-]C(=O)CNC(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001224141155 845775412 /nfs/dbraw/zinc/77/54/12/845775412.db2.gz FQBMAZAWAMBZDE-SNVBAGLBSA-N -1 0 358.420 -0.025 20 0 FBADRM CC(C)S(=O)(=O)CC(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001224162801 845777004 /nfs/dbraw/zinc/77/70/04/845777004.db2.gz SVFZPORAYGVICL-NEPJUHHUSA-N -1 0 371.463 -0.244 20 0 FBADRM CCCS(=O)(=O)CC(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001224178139 845777857 /nfs/dbraw/zinc/77/78/57/845777857.db2.gz WCKZTIACPAHHRJ-NEPJUHHUSA-N -1 0 371.463 -0.242 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@H]2CCN(CC(N)=O)[C@H]2C1 ZINC001224208316 845778705 /nfs/dbraw/zinc/77/87/05/845778705.db2.gz QNKGOTFHIRVAKT-ZJUUUORDSA-N -1 0 364.368 -0.148 20 0 FBADRM CCS(=O)(=O)CC(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001224241018 845778814 /nfs/dbraw/zinc/77/88/14/845778814.db2.gz UBQLZAHWSXNCTQ-MNOVXSKESA-N -1 0 357.436 -0.632 20 0 FBADRM CCOCCOCC(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001224251061 845779779 /nfs/dbraw/zinc/77/97/79/845779779.db2.gz ULDQNYDNANULMB-OLZOCXBDSA-N -1 0 353.423 -0.014 20 0 FBADRM COC(=O)c1coc(CO[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001224251171 845779813 /nfs/dbraw/zinc/77/98/13/845779813.db2.gz CFTWSWPAPUEDLG-JTQLQIEISA-N -1 0 364.376 -0.434 20 0 FBADRM COC(=O)c1coc(CO[C@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001224251172 845779866 /nfs/dbraw/zinc/77/98/66/845779866.db2.gz CFTWSWPAPUEDLG-SNVBAGLBSA-N -1 0 364.376 -0.434 20 0 FBADRM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001224256794 845779656 /nfs/dbraw/zinc/77/96/56/845779656.db2.gz NWJOWPSMDYIMET-TUAOUCFPSA-N -1 0 371.463 -0.386 20 0 FBADRM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001224256795 845779535 /nfs/dbraw/zinc/77/95/35/845779535.db2.gz NWJOWPSMDYIMET-UTUOFQBUSA-N -1 0 371.463 -0.386 20 0 FBADRM CC(=O)N1CCC(CO[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])CC1 ZINC001224279623 845780883 /nfs/dbraw/zinc/78/08/83/845780883.db2.gz FXPKEMXKHLFRSO-HNNXBMFYSA-N -1 0 364.464 -0.150 20 0 FBADRM CC(=O)N1CCC(CO[C@H](CN2CCOCC2)CS(=O)(=O)[O-])CC1 ZINC001224279624 845781301 /nfs/dbraw/zinc/78/13/01/845781301.db2.gz FXPKEMXKHLFRSO-OAHLLOKOSA-N -1 0 364.464 -0.150 20 0 FBADRM COCCOCCC(=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001224298022 845780917 /nfs/dbraw/zinc/78/09/17/845780917.db2.gz KNNJUDCHKPIQGE-OLZOCXBDSA-N -1 0 353.423 -0.014 20 0 FBADRM CCN(C(=O)CO[C@H](CN1CCOCC1)CS(=O)(=O)[O-])C1CC1 ZINC001224305592 845780722 /nfs/dbraw/zinc/78/07/22/845780722.db2.gz UHDYTHPFLKQEMK-CYBMUJFWSA-N -1 0 350.437 -0.398 20 0 FBADRM CCN(C(=O)CO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-])C1CC1 ZINC001224305597 845781025 /nfs/dbraw/zinc/78/10/25/845781025.db2.gz UHDYTHPFLKQEMK-ZDUSSCGKSA-N -1 0 350.437 -0.398 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(C(=O)COC(=O)[C@@H](O)CC(=O)[O-])CC1 ZINC001224501945 845785216 /nfs/dbraw/zinc/78/52/16/845785216.db2.gz GSMSNQBMZJZDKF-JTQLQIEISA-N -1 0 360.363 -0.556 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(C(=O)COC(=O)[C@H](O)CC(=O)[O-])CC1 ZINC001224501946 845785313 /nfs/dbraw/zinc/78/53/13/845785313.db2.gz GSMSNQBMZJZDKF-SNVBAGLBSA-N -1 0 360.363 -0.556 20 0 FBADRM O=S(=O)([O-])CCOC[C@H]1COCCOCCOCCOCCO1 ZINC001224571733 845787622 /nfs/dbraw/zinc/78/76/22/845787622.db2.gz OWRIRMGJZBVYFP-CYBMUJFWSA-N -1 0 358.409 -0.644 20 0 FBADRM O=S(=O)([O-])CCOC[C@@H]1COCCOCCOCCOCCO1 ZINC001224571734 845787700 /nfs/dbraw/zinc/78/77/00/845787700.db2.gz OWRIRMGJZBVYFP-ZDUSSCGKSA-N -1 0 358.409 -0.644 20 0 FBADRM CO[N-]C(=O)CNC(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC001224574421 845787657 /nfs/dbraw/zinc/78/76/57/845787657.db2.gz PSENMRAAZOQRTI-UHFFFAOYSA-N -1 0 350.422 -0.688 20 0 FBADRM O=[P@@]([O-])(O)CCOC[C@H]1COCCOCCOCCOCCO1 ZINC001224603005 845788524 /nfs/dbraw/zinc/78/85/24/845788524.db2.gz UWFVLPBRAHEPBX-CYBMUJFWSA-N -1 0 358.324 -0.354 20 0 FBADRM O=[P@@]([O-])(O)CCOC[C@@H]1COCCOCCOCCOCCO1 ZINC001224603031 845788307 /nfs/dbraw/zinc/78/83/07/845788307.db2.gz UWFVLPBRAHEPBX-ZDUSSCGKSA-N -1 0 358.324 -0.354 20 0 FBADRM COC1(OC)CC(CO[C@H](CN2CCOCC2)CS(=O)(=O)[O-])C1 ZINC001224624401 845788755 /nfs/dbraw/zinc/78/87/55/845788755.db2.gz CHCNOOOJOGSPOO-CYBMUJFWSA-N -1 0 353.437 -0.009 20 0 FBADRM COC1(OC)CC(CO[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])C1 ZINC001224624404 845788251 /nfs/dbraw/zinc/78/82/51/845788251.db2.gz CHCNOOOJOGSPOO-ZDUSSCGKSA-N -1 0 353.437 -0.009 20 0 FBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)OCC1CC2(C1)OCCO2 ZINC001224631552 845788780 /nfs/dbraw/zinc/78/87/80/845788780.db2.gz HVLYHWHBYMRODZ-CYBMUJFWSA-N -1 0 351.421 -0.255 20 0 FBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)OCC1CC2(C1)OCCO2 ZINC001224631553 845789611 /nfs/dbraw/zinc/78/96/11/845789611.db2.gz HVLYHWHBYMRODZ-ZDUSSCGKSA-N -1 0 351.421 -0.255 20 0 FBADRM CC(C)(C)OC(=O)NCCOCCOCCOC(=O)[C@H](O)CC(=O)[O-] ZINC001224741958 845791621 /nfs/dbraw/zinc/79/16/21/845791621.db2.gz OIUIDHQQDWISGH-LLVKDONJSA-N -1 0 365.379 -0.077 20 0 FBADRM CC(C)(C)OC(=O)NCCOCCOCCOC(=O)[C@@H](O)CC(=O)[O-] ZINC001224741959 845791894 /nfs/dbraw/zinc/79/18/94/845791894.db2.gz OIUIDHQQDWISGH-NSHDSACASA-N -1 0 365.379 -0.077 20 0 FBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)OCCCN1CCOCC1 ZINC001224870227 845794425 /nfs/dbraw/zinc/79/44/25/845794425.db2.gz NMKCEFYFBGAIRD-AWEZNQCLSA-N -1 0 352.453 -0.686 20 0 FBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)OCCCN1CCOCC1 ZINC001224870228 845794829 /nfs/dbraw/zinc/79/48/29/845794829.db2.gz NMKCEFYFBGAIRD-CQSZACIVSA-N -1 0 352.453 -0.686 20 0 FBADRM C[C@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)OCCCS(=O)(=O)[O-] ZINC001224893995 845794771 /nfs/dbraw/zinc/79/47/71/845794771.db2.gz OLHQHIYGZBALDP-SECBINFHSA-N -1 0 360.392 -0.883 20 0 FBADRM C[C@@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)OCCCS(=O)(=O)[O-] ZINC001224893997 845794411 /nfs/dbraw/zinc/79/44/11/845794411.db2.gz OLHQHIYGZBALDP-VIFPVBQESA-N -1 0 360.392 -0.883 20 0 FBADRM C=CS(=O)(=O)CC(CS(=O)(=O)C=C)OCCCS(=O)(=O)[O-] ZINC001224894563 836865206 /nfs/dbraw/zinc/86/52/06/836865206.db2.gz VBGVKFOAFOXOQT-UHFFFAOYSA-N -1 0 362.447 -0.234 20 0 FBADRM O=S(=O)([O-])CCCOC[C@H]1COCCOCCOCCOCCO1 ZINC001224898117 845794811 /nfs/dbraw/zinc/79/48/11/845794811.db2.gz JJYSDJKSEDRQHV-AWEZNQCLSA-N -1 0 372.436 -0.254 20 0 FBADRM O=S(=O)([O-])CCCOC[C@@H]1COCCOCCOCCOCCO1 ZINC001224898125 845794581 /nfs/dbraw/zinc/79/45/81/845794581.db2.gz JJYSDJKSEDRQHV-CQSZACIVSA-N -1 0 372.436 -0.254 20 0 FBADRM COCCOCCOCCO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001224930488 845795605 /nfs/dbraw/zinc/79/56/05/845795605.db2.gz OQYPPRIEOWQHOH-AWEZNQCLSA-N -1 0 371.452 -0.729 20 0 FBADRM COCCOCCOCCO[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001224930489 845796019 /nfs/dbraw/zinc/79/60/19/845796019.db2.gz OQYPPRIEOWQHOH-CQSZACIVSA-N -1 0 371.452 -0.729 20 0 FBADRM O=C([O-])C[C@@H](O)C(=O)OCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001224946032 845795460 /nfs/dbraw/zinc/79/54/60/845795460.db2.gz QASDENXIIPWXOM-CYBMUJFWSA-N -1 0 352.391 -0.242 20 0 FBADRM O=C([O-])C[C@H](O)C(=O)OCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001224946033 845795978 /nfs/dbraw/zinc/79/59/78/845795978.db2.gz QASDENXIIPWXOM-ZDUSSCGKSA-N -1 0 352.391 -0.242 20 0 FBADRM CC(=O)N1CC[C@H](CO[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])C1 ZINC001225008670 845797610 /nfs/dbraw/zinc/79/76/10/845797610.db2.gz SJDALBAKZATZIV-KBPBESRZSA-N -1 0 350.437 -0.540 20 0 FBADRM CC(=O)N1CC[C@@H](CO[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])C1 ZINC001225008672 845797766 /nfs/dbraw/zinc/79/77/66/845797766.db2.gz SJDALBAKZATZIV-KGLIPLIRSA-N -1 0 350.437 -0.540 20 0 FBADRM CC(=O)N1CC[C@H](CO[C@H](CN2CCOCC2)CS(=O)(=O)[O-])C1 ZINC001225008673 845797774 /nfs/dbraw/zinc/79/77/74/845797774.db2.gz SJDALBAKZATZIV-UONOGXRCSA-N -1 0 350.437 -0.540 20 0 FBADRM CC(=O)N1CC[C@@H](CO[C@H](CN2CCOCC2)CS(=O)(=O)[O-])C1 ZINC001225008675 845797563 /nfs/dbraw/zinc/79/75/63/845797563.db2.gz SJDALBAKZATZIV-ZIAGYGMSSA-N -1 0 350.437 -0.540 20 0 FBADRM C[C@@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)OCCCC[P@@](=O)([O-])O ZINC001225018936 845797717 /nfs/dbraw/zinc/79/77/17/845797717.db2.gz MFAXSOAEHNKMDD-JTQLQIEISA-N -1 0 374.334 -0.203 20 0 FBADRM C[C@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)OCCCC[P@@](=O)([O-])O ZINC001225018937 845797315 /nfs/dbraw/zinc/79/73/15/845797315.db2.gz MFAXSOAEHNKMDD-SNVBAGLBSA-N -1 0 374.334 -0.203 20 0 FBADRM O=C([O-])C[C@H](O)C(=O)OCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1 ZINC001225064226 845797384 /nfs/dbraw/zinc/79/73/84/845797384.db2.gz AKNZXFXQEFMVDN-NEPJUHHUSA-N -1 0 351.311 -0.045 20 0 FBADRM O=C([O-])C[C@@H](O)C(=O)OCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1 ZINC001225064227 845797636 /nfs/dbraw/zinc/79/76/36/845797636.db2.gz AKNZXFXQEFMVDN-VXGBXAGGSA-N -1 0 351.311 -0.045 20 0 FBADRM CCOC(=O)[C@](C)(CCOC(=O)[C@H](O)CCC(=O)[O-])S(C)(=O)=O ZINC001225066738 845798663 /nfs/dbraw/zinc/79/86/63/845798663.db2.gz BLWIZPLAEMCLMM-RNCFNFMXSA-N -1 0 354.377 -0.488 20 0 FBADRM CC(=O)N1CCC[C@@H](CO[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])C1 ZINC001225173901 845800966 /nfs/dbraw/zinc/80/09/66/845800966.db2.gz BHHCJLNDHSUOLB-CABCVRRESA-N -1 0 364.464 -0.150 20 0 FBADRM CC(=O)N1CCC[C@H](CO[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])C1 ZINC001225173902 845801133 /nfs/dbraw/zinc/80/11/33/845801133.db2.gz BHHCJLNDHSUOLB-GJZGRUSLSA-N -1 0 364.464 -0.150 20 0 FBADRM CC(=O)N1CCC[C@@H](CO[C@H](CN2CCOCC2)CS(=O)(=O)[O-])C1 ZINC001225173903 845801088 /nfs/dbraw/zinc/80/10/88/845801088.db2.gz BHHCJLNDHSUOLB-HUUCEWRRSA-N -1 0 364.464 -0.150 20 0 FBADRM CC(=O)N1CCC[C@H](CO[C@H](CN2CCOCC2)CS(=O)(=O)[O-])C1 ZINC001225173904 845801275 /nfs/dbraw/zinc/80/12/75/845801275.db2.gz BHHCJLNDHSUOLB-LSDHHAIUSA-N -1 0 364.464 -0.150 20 0 FBADRM NC(=O)Cc1ccc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])cc1 ZINC001225317262 845800999 /nfs/dbraw/zinc/80/09/99/845800999.db2.gz WCZFKWDUMDQBCM-AWEZNQCLSA-N -1 0 358.416 -0.318 20 0 FBADRM NC(=O)Cc1ccc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])cc1 ZINC001225317263 845801196 /nfs/dbraw/zinc/80/11/96/845801196.db2.gz WCZFKWDUMDQBCM-CQSZACIVSA-N -1 0 358.416 -0.318 20 0 FBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1ccc(-n2cnnn2)cc1 ZINC001225481810 845803971 /nfs/dbraw/zinc/80/39/71/845803971.db2.gz JLWVZKZAVAXVGO-AWEZNQCLSA-N -1 0 369.403 -0.370 20 0 FBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1ccc(-n2cnnn2)cc1 ZINC001225481811 845803760 /nfs/dbraw/zinc/80/37/60/845803760.db2.gz JLWVZKZAVAXVGO-CQSZACIVSA-N -1 0 369.403 -0.370 20 0 FBADRM COC(=O)c1ccncc1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001225519625 845804068 /nfs/dbraw/zinc/80/40/68/845804068.db2.gz HRHALFZYYASHAH-LLVKDONJSA-N -1 0 360.388 -0.164 20 0 FBADRM COC(=O)c1ccncc1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001225519626 845805375 /nfs/dbraw/zinc/80/53/75/845805375.db2.gz HRHALFZYYASHAH-NSHDSACASA-N -1 0 360.388 -0.164 20 0 FBADRM CCOC(=O)c1snc2c1[nH]c(=O)nc2OC(=O)[C@@H](O)CC(=O)[O-] ZINC001225551672 845804944 /nfs/dbraw/zinc/80/49/44/845804944.db2.gz ZRHAWKAJFDPCJK-BYPYZUCNSA-N -1 0 357.300 -0.290 20 0 FBADRM CCOC(=O)c1snc2c1[nH]c(=O)nc2OC(=O)[C@H](O)CC(=O)[O-] ZINC001225551673 845805288 /nfs/dbraw/zinc/80/52/88/845805288.db2.gz ZRHAWKAJFDPCJK-SCSAIBSYSA-N -1 0 357.300 -0.290 20 0 FBADRM O=c1cc(Cl)nc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1 ZINC001225559068 845805082 /nfs/dbraw/zinc/80/50/82/845805082.db2.gz JZVBSPLEBGDAFC-MRVPVSSYSA-N -1 0 353.784 -0.197 20 0 FBADRM O=c1cc(Cl)nc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1 ZINC001225559070 845805294 /nfs/dbraw/zinc/80/52/94/845805294.db2.gz JZVBSPLEBGDAFC-QMMMGPOBSA-N -1 0 353.784 -0.197 20 0 FBADRM CO[N-]C(=O)CNC(=O)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC001225749484 845808467 /nfs/dbraw/zinc/80/84/67/845808467.db2.gz KYZBSDYHYIIRLA-UHFFFAOYSA-N -1 0 356.404 -0.297 20 0 FBADRM COC(=O)c1ccc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])nc1 ZINC001225760645 845808260 /nfs/dbraw/zinc/80/82/60/845808260.db2.gz AOHKVJHSQRQHEO-GFCCVEGCSA-N -1 0 360.388 -0.164 20 0 FBADRM COC(=O)c1ccc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])nc1 ZINC001225760646 845808457 /nfs/dbraw/zinc/80/84/57/845808457.db2.gz AOHKVJHSQRQHEO-LBPRGKRZSA-N -1 0 360.388 -0.164 20 0 FBADRM O=c1cc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])[nH]c(=S)[nH]1 ZINC001225764116 845808319 /nfs/dbraw/zinc/80/83/19/845808319.db2.gz DKBIAFRLFONZBM-MRVPVSSYSA-N -1 0 351.406 -0.562 20 0 FBADRM O=c1cc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])[nH]c(=S)[nH]1 ZINC001225764122 845808237 /nfs/dbraw/zinc/80/82/37/845808237.db2.gz DKBIAFRLFONZBM-QMMMGPOBSA-N -1 0 351.406 -0.562 20 0 FBADRM CC(C)(C)OC(=O)N1CCCO[C@@H](COc2c([O-])c(=O)c(=O)c2=O)C1 ZINC001225829872 845810821 /nfs/dbraw/zinc/81/08/21/845810821.db2.gz BZMNCEOASOTXJJ-SECBINFHSA-N -1 0 355.343 -0.247 20 0 FBADRM CC(C)(C)OC(=O)N1CCCO[C@H](COc2c([O-])c(=O)c(=O)c2=O)C1 ZINC001225829874 845810900 /nfs/dbraw/zinc/81/09/00/845810900.db2.gz BZMNCEOASOTXJJ-VIFPVBQESA-N -1 0 355.343 -0.247 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@@H](OCCOc2c([O-])c(=O)c(=O)c2=O)C1 ZINC001225830070 845810622 /nfs/dbraw/zinc/81/06/22/845810622.db2.gz DREXBIZUNGAVGE-SECBINFHSA-N -1 0 355.343 -0.247 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@H](OCCOc2c([O-])c(=O)c(=O)c2=O)C1 ZINC001225830071 845810838 /nfs/dbraw/zinc/81/08/38/845810838.db2.gz DREXBIZUNGAVGE-VIFPVBQESA-N -1 0 355.343 -0.247 20 0 FBADRM O=c1c([O-])c(O[C@@H]2CCN(c3ncc(Br)cn3)C2)c(=O)c1=O ZINC001225830283 845810707 /nfs/dbraw/zinc/81/07/07/845810707.db2.gz HHYULAXAHGFUNC-SSDOTTSWSA-N -1 0 368.143 -0.441 20 0 FBADRM O=c1c([O-])c(O[C@H]2CCN(c3ncc(Br)cn3)C2)c(=O)c1=O ZINC001225830286 845810558 /nfs/dbraw/zinc/81/05/58/845810558.db2.gz HHYULAXAHGFUNC-ZETCQYMHSA-N -1 0 368.143 -0.441 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CC(Oc3c([O-])c(=O)c(=O)c3=O)C2)cc1 ZINC001225831737 845810784 /nfs/dbraw/zinc/81/07/84/845810784.db2.gz BDNILCKOWDTTHU-UHFFFAOYSA-N -1 0 351.336 -0.891 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@@H](Oc2c([O-])c(=O)c(=O)c2=O)CC(=O)C1 ZINC001225831949 845810526 /nfs/dbraw/zinc/81/05/26/845810526.db2.gz AYSXQBKJOLSSPE-SECBINFHSA-N -1 0 353.327 -0.304 20 0 FBADRM CC(C)(C)OC(=O)N1CC[C@H](Oc2c([O-])c(=O)c(=O)c2=O)CC(=O)C1 ZINC001225831950 845810718 /nfs/dbraw/zinc/81/07/18/845810718.db2.gz AYSXQBKJOLSSPE-VIFPVBQESA-N -1 0 353.327 -0.304 20 0 FBADRM CC(C)(C)OC(=O)N1CCN2C[C@@H](Oc3c([O-])c(=O)c(=O)c3=O)[C@H]1C2 ZINC001225831967 845810806 /nfs/dbraw/zinc/81/08/06/845810806.db2.gz BHXGMESHZUGWIQ-RKDXNWHRSA-N -1 0 352.343 -0.969 20 0 FBADRM CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](Oc1c([O-])c(=O)c(=O)c1=O)CO2 ZINC001225834624 845810922 /nfs/dbraw/zinc/81/09/22/845810922.db2.gz VEHFENHFOUWZAV-MRVPVSSYSA-N -1 0 353.327 -0.494 20 0 FBADRM CC(C)(C)OC(=O)N1CC2(C1)C[C@H](Oc1c([O-])c(=O)c(=O)c1=O)CO2 ZINC001225834625 845810639 /nfs/dbraw/zinc/81/06/39/845810639.db2.gz VEHFENHFOUWZAV-QMMMGPOBSA-N -1 0 353.327 -0.494 20 0 FBADRM CCOC(=O)[C@@H]1CCc2nc(=O)[nH]c(OC(=O)[C@H](O)CC(=O)[O-])c2C1 ZINC001225856676 845812029 /nfs/dbraw/zinc/81/20/29/845812029.db2.gz HRLHJRLTRUMJOX-GMSGAONNSA-N -1 0 354.315 -0.409 20 0 FBADRM CCOC(=O)[C@H]1CCc2nc(=O)[nH]c(OC(=O)[C@H](O)CC(=O)[O-])c2C1 ZINC001225856677 845811712 /nfs/dbraw/zinc/81/17/12/845811712.db2.gz HRLHJRLTRUMJOX-OIBJUYFYSA-N -1 0 354.315 -0.409 20 0 FBADRM CCOC(=O)[C@@H]1CCc2nc(=O)[nH]c(OC(=O)[C@@H](O)CC(=O)[O-])c2C1 ZINC001225856678 845811954 /nfs/dbraw/zinc/81/19/54/845811954.db2.gz HRLHJRLTRUMJOX-XCBNKYQSSA-N -1 0 354.315 -0.409 20 0 FBADRM CCOC(=O)[C@H]1CCc2nc(=O)[nH]c(OC(=O)[C@@H](O)CC(=O)[O-])c2C1 ZINC001225856679 845811655 /nfs/dbraw/zinc/81/16/55/845811655.db2.gz HRLHJRLTRUMJOX-XVKPBYJWSA-N -1 0 354.315 -0.409 20 0 FBADRM C[C@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)Oc1[n-]c(=O)ncc1F ZINC001225882469 845813133 /nfs/dbraw/zinc/81/31/33/845813133.db2.gz UCLCLPRWDXIMRD-SSDOTTSWSA-N -1 0 350.310 -0.464 20 0 FBADRM C[C@@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)Oc1[n-]c(=O)ncc1F ZINC001225882471 845812712 /nfs/dbraw/zinc/81/27/12/845812712.db2.gz UCLCLPRWDXIMRD-ZETCQYMHSA-N -1 0 350.310 -0.464 20 0 FBADRM CCOC(=O)c1ccc(N2CC(NC(=O)NCC(=O)[N-]OC)C2)nc1 ZINC001226124067 845817604 /nfs/dbraw/zinc/81/76/04/845817604.db2.gz ZZAXIKTYFKJFJM-UHFFFAOYSA-N -1 0 351.363 -0.576 20 0 FBADRM COC(=O)c1cncnc1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001226150068 845817880 /nfs/dbraw/zinc/81/78/80/845817880.db2.gz PWBDHMXCSOPQCM-JTQLQIEISA-N -1 0 361.376 -0.769 20 0 FBADRM COC(=O)c1cncnc1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001226150072 845817961 /nfs/dbraw/zinc/81/79/61/845817961.db2.gz PWBDHMXCSOPQCM-SNVBAGLBSA-N -1 0 361.376 -0.769 20 0 FBADRM COC(=O)c1cc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])no1 ZINC001226153463 845819202 /nfs/dbraw/zinc/81/92/02/845819202.db2.gz RDCLJGYITMKTSN-SECBINFHSA-N -1 0 350.349 -0.571 20 0 FBADRM COC(=O)c1cc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])no1 ZINC001226153464 845818713 /nfs/dbraw/zinc/81/87/13/845818713.db2.gz RDCLJGYITMKTSN-VIFPVBQESA-N -1 0 350.349 -0.571 20 0 FBADRM CC(=O)c1cnc(=O)[nH]c1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001226239159 845819715 /nfs/dbraw/zinc/81/97/15/845819715.db2.gz HISJXIWZDMCYPD-JTQLQIEISA-N -1 0 361.376 -0.648 20 0 FBADRM CC(=O)c1cnc(=O)[nH]c1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001226239163 845819996 /nfs/dbraw/zinc/81/99/96/845819996.db2.gz HISJXIWZDMCYPD-SNVBAGLBSA-N -1 0 361.376 -0.648 20 0 FBADRM COc1cnc(=S)[nH]c1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001226242524 845820603 /nfs/dbraw/zinc/82/06/03/845820603.db2.gz PAUWJXSXBMVEOB-SECBINFHSA-N -1 0 365.433 -0.259 20 0 FBADRM COc1cnc(=S)[nH]c1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001226242525 845820901 /nfs/dbraw/zinc/82/09/01/845820901.db2.gz PAUWJXSXBMVEOB-VIFPVBQESA-N -1 0 365.433 -0.259 20 0 FBADRM COC(=O)c1cncc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001226319401 845823144 /nfs/dbraw/zinc/82/31/44/845823144.db2.gz AHQFTUDHTNXIIX-CYBMUJFWSA-N -1 0 360.388 -0.164 20 0 FBADRM COC(=O)c1cncc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001226319402 845822843 /nfs/dbraw/zinc/82/28/43/845822843.db2.gz AHQFTUDHTNXIIX-ZDUSSCGKSA-N -1 0 360.388 -0.164 20 0 FBADRM O=c1nc2c(c(O[C@@H](CN3CCOCC3)CS(=O)(=O)[O-])[nH]1)CCC2 ZINC001226337529 845823154 /nfs/dbraw/zinc/82/31/54/845823154.db2.gz FHCNCEWDJLSHHC-JTQLQIEISA-N -1 0 359.404 -0.362 20 0 FBADRM O=c1nc2c(c(O[C@H](CN3CCOCC3)CS(=O)(=O)[O-])[nH]1)CCC2 ZINC001226337531 845823001 /nfs/dbraw/zinc/82/30/01/845823001.db2.gz FHCNCEWDJLSHHC-SNVBAGLBSA-N -1 0 359.404 -0.362 20 0 FBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1nnnc2ccccc21 ZINC001226399843 845824088 /nfs/dbraw/zinc/82/40/88/845824088.db2.gz BOVOYOMXVPMNGV-LLVKDONJSA-N -1 0 354.388 -0.008 20 0 FBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1nnnc2ccccc21 ZINC001226399844 845824032 /nfs/dbraw/zinc/82/40/32/845824032.db2.gz BOVOYOMXVPMNGV-NSHDSACASA-N -1 0 354.388 -0.008 20 0 FBADRM O=[N+]([O-])O[C@@H]1CO[C@@H]2[C@@H](Oc3ccc(O)cc3S(=O)(=O)[O-])CO[C@H]12 ZINC001226410563 845824816 /nfs/dbraw/zinc/82/48/16/845824816.db2.gz SROHDQGLGFPIMX-LUTQBAROSA-N -1 0 363.300 -0.239 20 0 FBADRM O=[N+]([O-])O[C@H]1CO[C@@H]2[C@H](Oc3ccc(O)cc3S(=O)(=O)[O-])CO[C@@H]21 ZINC001226413725 845825284 /nfs/dbraw/zinc/82/52/84/845825284.db2.gz SROHDQGLGFPIMX-RBLKWDMZSA-N -1 0 363.300 -0.239 20 0 FBADRM COC(=O)c1cc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])n(C)n1 ZINC001226424168 845824840 /nfs/dbraw/zinc/82/48/40/845824840.db2.gz FYXRRXDEPHQEMD-JTQLQIEISA-N -1 0 363.392 -0.826 20 0 FBADRM COC(=O)c1cc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])n(C)n1 ZINC001226424169 845824717 /nfs/dbraw/zinc/82/47/17/845824717.db2.gz FYXRRXDEPHQEMD-SNVBAGLBSA-N -1 0 363.392 -0.826 20 0 FBADRM COC(=O)c1ccc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])nn1 ZINC001226568430 845828520 /nfs/dbraw/zinc/82/85/20/845828520.db2.gz FEUMXNBQMYOJAP-JTQLQIEISA-N -1 0 361.376 -0.769 20 0 FBADRM COC(=O)c1ccc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])nn1 ZINC001226568431 845827915 /nfs/dbraw/zinc/82/79/15/845827915.db2.gz FEUMXNBQMYOJAP-SNVBAGLBSA-N -1 0 361.376 -0.769 20 0 FBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1ncnc2ncccc21 ZINC001226606109 845832167 /nfs/dbraw/zinc/83/21/67/845832167.db2.gz GNIDEHJGPPSTAI-LLVKDONJSA-N -1 0 354.388 -0.008 20 0 FBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1ncnc2ncccc21 ZINC001226606110 845832283 /nfs/dbraw/zinc/83/22/83/845832283.db2.gz GNIDEHJGPPSTAI-NSHDSACASA-N -1 0 354.388 -0.008 20 0 FBADRM O=C1COc2cccc(O[C@H](CN3CCOCC3)CS(=O)(=O)[O-])c2N1 ZINC001226638842 845833333 /nfs/dbraw/zinc/83/33/33/845833333.db2.gz WPUPQBASUIQKHR-LLVKDONJSA-N -1 0 372.399 -0.015 20 0 FBADRM O=C1COc2cccc(O[C@@H](CN3CCOCC3)CS(=O)(=O)[O-])c2N1 ZINC001226638843 845833273 /nfs/dbraw/zinc/83/32/73/845833273.db2.gz WPUPQBASUIQKHR-NSHDSACASA-N -1 0 372.399 -0.015 20 0 FBADRM O=c1nc2cnncc2c(O[C@@H](C[n+]2ccccc2)CS(=O)(=O)[O-])[n-]1 ZINC001226692865 845834391 /nfs/dbraw/zinc/83/43/91/845834391.db2.gz RRASNTCXZVVDEZ-JTQLQIEISA-O -1 0 364.363 -0.252 20 0 FBADRM O=c1nc2cnncc2c(O[C@H](C[n+]2ccccc2)CS(=O)(=O)[O-])[n-]1 ZINC001226692868 845834225 /nfs/dbraw/zinc/83/42/25/845834225.db2.gz RRASNTCXZVVDEZ-SNVBAGLBSA-O -1 0 364.363 -0.252 20 0 FBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1ncnc2nnccc21 ZINC001226699210 845834033 /nfs/dbraw/zinc/83/40/33/845834033.db2.gz JWYGODCBFKAXHY-JTQLQIEISA-N -1 0 355.376 -0.613 20 0 FBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1ncnc2nnccc21 ZINC001226699211 845834715 /nfs/dbraw/zinc/83/47/15/845834715.db2.gz JWYGODCBFKAXHY-SNVBAGLBSA-N -1 0 355.376 -0.613 20 0 FBADRM COC(=O)c1ccnc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001226754439 845836067 /nfs/dbraw/zinc/83/60/67/845836067.db2.gz RIUBZRYLZZHOLR-GFCCVEGCSA-N -1 0 360.388 -0.164 20 0 FBADRM COC(=O)c1ccnc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001226754441 845835970 /nfs/dbraw/zinc/83/59/70/845835970.db2.gz RIUBZRYLZZHOLR-LBPRGKRZSA-N -1 0 360.388 -0.164 20 0 FBADRM CC(=O)OC[C@H](COc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21)OC(C)=O ZINC001226887347 845838448 /nfs/dbraw/zinc/83/84/48/845838448.db2.gz FNBKOGRYOFDDGQ-SSDOTTSWSA-N -1 0 354.275 -0.590 20 0 FBADRM CC(=O)OC[C@@H](COc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21)OC(C)=O ZINC001226887349 845838381 /nfs/dbraw/zinc/83/83/81/845838381.db2.gz FNBKOGRYOFDDGQ-ZETCQYMHSA-N -1 0 354.275 -0.590 20 0 FBADRM CC(=O)OCC(COC(C)=O)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21 ZINC001226888050 845838768 /nfs/dbraw/zinc/83/87/68/845838768.db2.gz NFGHFNJBWVXQRW-UHFFFAOYSA-N -1 0 354.275 -0.590 20 0 FBADRM COC(=O)CC(CC(=O)OC)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21 ZINC001226888382 845838533 /nfs/dbraw/zinc/83/85/33/845838533.db2.gz PUBYZUYDWAUYAD-UHFFFAOYSA-N -1 0 354.275 -0.590 20 0 FBADRM CC[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2n[nH]c(=O)[n-]2)CCNC1=O ZINC001226890054 845838081 /nfs/dbraw/zinc/83/80/81/845838081.db2.gz GZTRWWHEXJCRDB-GLKRBJQHSA-N -1 0 350.423 -0.056 20 0 FBADRM CC[C@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2n[nH]c(=O)[n-]2)CCNC1=O ZINC001226890055 845838565 /nfs/dbraw/zinc/83/85/65/845838565.db2.gz GZTRWWHEXJCRDB-UVWXRNBGSA-N -1 0 350.423 -0.056 20 0 FBADRM O=C(NCc1nc(C(F)(F)F)n[nH]1)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001226901301 845838061 /nfs/dbraw/zinc/83/80/61/845838061.db2.gz FJNPAOSINIBNME-SECBINFHSA-N -1 0 357.314 -0.828 20 0 FBADRM O=C(NCc1nc(C(F)(F)F)n[nH]1)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001226901303 845838315 /nfs/dbraw/zinc/83/83/15/845838315.db2.gz FJNPAOSINIBNME-VIFPVBQESA-N -1 0 357.314 -0.828 20 0 FBADRM O=C(NCc1nc(C(F)(F)F)n[nH]1)NC[C@@]12COC(=O)N1CCOC2 ZINC001226901544 845838217 /nfs/dbraw/zinc/83/82/17/845838217.db2.gz HZTIFDQJIGYNPD-LLVKDONJSA-N -1 0 364.284 -0.156 20 0 FBADRM O=C(NCc1nc(C(F)(F)F)n[nH]1)NC[C@]12COC(=O)N1CCOC2 ZINC001226901545 845838590 /nfs/dbraw/zinc/83/85/90/845838590.db2.gz HZTIFDQJIGYNPD-NSHDSACASA-N -1 0 364.284 -0.156 20 0 FBADRM O=C(NCCCn1ccc(=O)[nH]c1=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC001226902820 845838877 /nfs/dbraw/zinc/83/88/77/845838877.db2.gz UYXRFZGBGQYEIF-UHFFFAOYSA-N -1 0 361.284 -0.025 20 0 FBADRM O=C(NCCO)C1CCN(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CC1 ZINC001226903880 845838293 /nfs/dbraw/zinc/83/82/93/845838293.db2.gz ZHRZQIGVMJHVDV-UHFFFAOYSA-N -1 0 364.328 -0.146 20 0 FBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1ccc2nccnc2n1 ZINC001226921017 845838336 /nfs/dbraw/zinc/83/83/36/845838336.db2.gz OYHWYJIRKWGWLX-LLVKDONJSA-N -1 0 354.388 -0.008 20 0 FBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1ccc2nccnc2n1 ZINC001226921019 845839850 /nfs/dbraw/zinc/83/98/50/845839850.db2.gz OYHWYJIRKWGWLX-NSHDSACASA-N -1 0 354.388 -0.008 20 0 FBADRM COC(=O)c1ncccc1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001226952483 845839960 /nfs/dbraw/zinc/83/99/60/845839960.db2.gz WHGMNGYEPXBAEK-LLVKDONJSA-N -1 0 360.388 -0.164 20 0 FBADRM COC(=O)c1ncccc1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001226952484 845839786 /nfs/dbraw/zinc/83/97/86/845839786.db2.gz WHGMNGYEPXBAEK-NSHDSACASA-N -1 0 360.388 -0.164 20 0 FBADRM CCOC(=O)N1CCc2cc(OC(=O)[C@H](O)CC(=O)[O-])nnc2CC1 ZINC001226966726 845841426 /nfs/dbraw/zinc/84/14/26/845841426.db2.gz KZNJDWIRBUXKIG-LLVKDONJSA-N -1 0 353.331 -0.225 20 0 FBADRM CCOC(=O)N1CCc2cc(OC(=O)[C@@H](O)CC(=O)[O-])nnc2CC1 ZINC001226966727 845840648 /nfs/dbraw/zinc/84/06/48/845840648.db2.gz KZNJDWIRBUXKIG-NSHDSACASA-N -1 0 353.331 -0.225 20 0 FBADRM O=c1nc2cnccc2c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])[nH]1 ZINC001226973275 845840906 /nfs/dbraw/zinc/84/09/06/845840906.db2.gz GVBHERWSZVGLRA-JTQLQIEISA-N -1 0 370.387 -0.715 20 0 FBADRM O=c1nc2cnccc2c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])[nH]1 ZINC001226973279 845840604 /nfs/dbraw/zinc/84/06/04/845840604.db2.gz GVBHERWSZVGLRA-SNVBAGLBSA-N -1 0 370.387 -0.715 20 0 FBADRM O=c1nnc(Br)c(O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])[n-]1 ZINC001227062980 845843979 /nfs/dbraw/zinc/84/39/79/845843979.db2.gz CIEPYUNBSJBZHU-JGWLITMVSA-N -1 0 365.096 -0.538 20 0 FBADRM O=c1nnc(Br)c(O[C@H]2CO[C@@H]3[C@H](O[N+](=O)[O-])CO[C@H]23)[n-]1 ZINC001227062994 845843935 /nfs/dbraw/zinc/84/39/35/845843935.db2.gz CIEPYUNBSJBZHU-SLPGGIOYSA-N -1 0 365.096 -0.538 20 0 FBADRM CC(=O)O[C@H]1CO[C@@H]2[C@H](Oc3[n-]c(=O)nnc3Br)CO[C@@H]21 ZINC001227066395 845843923 /nfs/dbraw/zinc/84/39/23/845843923.db2.gz KERWNOLFOWKQJI-LXGUWJNJSA-N -1 0 362.136 -0.184 20 0 FBADRM CC1(C)O[C@H]2O[C@@H]3[C@H](Oc4[n-]c(=O)nc5nc[nH]c54)C(=O)O[C@@H]3[C@H]2O1 ZINC001227070043 845843846 /nfs/dbraw/zinc/84/38/46/845843846.db2.gz LOUNYQVMTBYYGB-BISYPAIHSA-N -1 0 350.287 -0.392 20 0 FBADRM C=CS(=O)(=O)CC(CS(=O)(=O)C=C)Oc1[n-]c(=O)nc2nc[nH]c21 ZINC001227070726 845843191 /nfs/dbraw/zinc/84/31/91/845843191.db2.gz RPAWTCBMJJNUKR-UHFFFAOYSA-N -1 0 374.400 -0.078 20 0 FBADRM O=c1nc2nc[nH]c2c(O[C@H](C[n+]2ccccc2)CS(=O)(=O)[O-])[n-]1 ZINC001227074622 845843815 /nfs/dbraw/zinc/84/38/15/845843815.db2.gz YTMHBCXPZKQORK-SECBINFHSA-O -1 0 352.352 -0.319 20 0 FBADRM O=c1nc2nc[nH]c2c(O[C@@H](C[n+]2ccccc2)CS(=O)(=O)[O-])[n-]1 ZINC001227074633 845843835 /nfs/dbraw/zinc/84/38/35/845843835.db2.gz YTMHBCXPZKQORK-VIFPVBQESA-O -1 0 352.352 -0.319 20 0 FBADRM COC(=O)c1[n-]c(=O)nc(OC2CS(=O)(=O)C2)c1Br ZINC001227332488 845850535 /nfs/dbraw/zinc/85/05/35/845850535.db2.gz NVLTYQYVMGOTCR-UHFFFAOYSA-N -1 0 353.150 -0.093 20 0 FBADRM CC(=O)Nc1nc2c(ncn2C(C)=O)c(OC(=O)[C@H](O)CC(=O)[O-])n1 ZINC001227366872 845851303 /nfs/dbraw/zinc/85/13/03/845851303.db2.gz NPNDKZGFIJZDAR-SSDOTTSWSA-N -1 0 351.275 -0.814 20 0 FBADRM CC(=O)Nc1nc2c(ncn2C(C)=O)c(OC(=O)[C@@H](O)CC(=O)[O-])n1 ZINC001227366874 845851151 /nfs/dbraw/zinc/85/11/51/845851151.db2.gz NPNDKZGFIJZDAR-ZETCQYMHSA-N -1 0 351.275 -0.814 20 0 FBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1[nH]c(=S)ncc1F ZINC001227383674 845851571 /nfs/dbraw/zinc/85/15/71/845851571.db2.gz QGXHJYYACXWRES-MRVPVSSYSA-N -1 0 353.397 -0.128 20 0 FBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1[nH]c(=S)ncc1F ZINC001227383677 845851680 /nfs/dbraw/zinc/85/16/80/845851680.db2.gz QGXHJYYACXWRES-QMMMGPOBSA-N -1 0 353.397 -0.128 20 0 FBADRM C=CS(=O)(=O)CC(CS(=O)(=O)C=C)Oc1nc(=O)[n-]c(=O)[nH]1 ZINC001227569323 845855145 /nfs/dbraw/zinc/85/51/45/845855145.db2.gz ZIWLOGOORFMMPP-UHFFFAOYSA-N -1 0 351.362 -0.853 20 0 FBADRM Cc1nnc(=S)[n-]c1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001227598577 845854956 /nfs/dbraw/zinc/85/49/56/845854956.db2.gz KGNMQIJRNSCSDJ-SECBINFHSA-N -1 0 350.422 -0.564 20 0 FBADRM Cc1nnc(=S)[n-]c1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001227598578 845855121 /nfs/dbraw/zinc/85/51/21/845855121.db2.gz KGNMQIJRNSCSDJ-VIFPVBQESA-N -1 0 350.422 -0.564 20 0 FBADRM Cc1cc2ncnc(O[C@H](CN3CCOCC3)CS(=O)(=O)[O-])n2n1 ZINC001227679158 845855845 /nfs/dbraw/zinc/85/58/45/845855845.db2.gz MESNAGCPLOUJTJ-LLVKDONJSA-N -1 0 357.392 -0.600 20 0 FBADRM Cc1cc2ncnc(O[C@@H](CN3CCOCC3)CS(=O)(=O)[O-])n2n1 ZINC001227679159 845857618 /nfs/dbraw/zinc/85/76/18/845857618.db2.gz MESNAGCPLOUJTJ-NSHDSACASA-N -1 0 357.392 -0.600 20 0 FBADRM O=c1nc2c(c(O[C@@H](C[n+]3ccccc3)CS(=O)(=O)[O-])[nH]1)COC2 ZINC001227686497 845857642 /nfs/dbraw/zinc/85/76/42/845857642.db2.gz RBMZRYSQRHSOPW-JTQLQIEISA-O -1 0 354.364 -0.165 20 0 FBADRM O=c1nc2c(c(O[C@H](C[n+]3ccccc3)CS(=O)(=O)[O-])[nH]1)COC2 ZINC001227686500 845857662 /nfs/dbraw/zinc/85/76/62/845857662.db2.gz RBMZRYSQRHSOPW-SNVBAGLBSA-O -1 0 354.364 -0.165 20 0 FBADRM CC1(C)O[C@H]2O[C@@H]3[C@H](Oc4[nH]c(=O)nc5c4COC5)C(=O)O[C@@H]3[C@H]2O1 ZINC001227686643 845857218 /nfs/dbraw/zinc/85/72/18/845857218.db2.gz SSXRQUFOCBKLMF-PXSXMVNOSA-N -1 0 352.299 -0.238 20 0 FBADRM O=c1nc2c(c(O[C@H](CN3CCOCC3)CS(=O)(=O)[O-])[nH]1)COC2 ZINC001227690966 845857197 /nfs/dbraw/zinc/85/71/97/845857197.db2.gz QLSDDXFTMUACAC-SECBINFHSA-N -1 0 361.376 -0.820 20 0 FBADRM O=c1nc2c(c(O[C@@H](CN3CCOCC3)CS(=O)(=O)[O-])[nH]1)COC2 ZINC001227690975 845857258 /nfs/dbraw/zinc/85/72/58/845857258.db2.gz QLSDDXFTMUACAC-VIFPVBQESA-N -1 0 361.376 -0.820 20 0 FBADRM COC(=O)c1ccc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])cn1 ZINC001227735410 845858225 /nfs/dbraw/zinc/85/82/25/845858225.db2.gz GFQGIIRUZUBARR-GFCCVEGCSA-N -1 0 360.388 -0.164 20 0 FBADRM COC(=O)c1ccc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])cn1 ZINC001227735412 845858640 /nfs/dbraw/zinc/85/86/40/845858640.db2.gz GFQGIIRUZUBARR-LBPRGKRZSA-N -1 0 360.388 -0.164 20 0 FBADRM COC(=O)c1cc(=O)c(OC[C@H]2COCCOCCOCCO2)c[n-]1 ZINC001227785662 845860945 /nfs/dbraw/zinc/86/09/45/845860945.db2.gz KQTYTFABJZHPPS-GFCCVEGCSA-N -1 0 357.359 -0.011 20 0 FBADRM COC(=O)c1cc(=O)c(OC[C@@H]2COCCOCCOCCO2)c[n-]1 ZINC001227785663 845861090 /nfs/dbraw/zinc/86/10/90/845861090.db2.gz KQTYTFABJZHPPS-LBPRGKRZSA-N -1 0 357.359 -0.011 20 0 FBADRM COC(=O)c1cc(=O)c(O[C@H](C[n+]2ccccc2)CS(=O)(=O)[O-])c[n-]1 ZINC001227786308 845861042 /nfs/dbraw/zinc/86/10/42/845861042.db2.gz QZJZCCGDSIBNMY-LLVKDONJSA-O -1 0 369.375 -0.216 20 0 FBADRM COC(=O)c1cc(=O)c(O[C@@H](C[n+]2ccccc2)CS(=O)(=O)[O-])c[n-]1 ZINC001227786312 845861126 /nfs/dbraw/zinc/86/11/26/845861126.db2.gz QZJZCCGDSIBNMY-NSHDSACASA-O -1 0 369.375 -0.216 20 0 FBADRM COC(=O)c1cccc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001227828538 845861107 /nfs/dbraw/zinc/86/11/07/845861107.db2.gz GWTFCEHADGDJCG-LLVKDONJSA-N -1 0 360.388 -0.164 20 0 FBADRM COC(=O)c1cccc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001227828540 845860647 /nfs/dbraw/zinc/86/06/47/845860647.db2.gz GWTFCEHADGDJCG-NSHDSACASA-N -1 0 360.388 -0.164 20 0 FBADRM O=C1NCCc2cc(O[C@@H](CN3CCOCC3)CS(=O)(=O)[O-])ccc21 ZINC001227914689 845864700 /nfs/dbraw/zinc/86/47/00/845864700.db2.gz DCISRALAVHQWBT-AWEZNQCLSA-N -1 0 370.427 -0.060 20 0 FBADRM O=C1NCCc2cc(O[C@H](CN3CCOCC3)CS(=O)(=O)[O-])ccc21 ZINC001227914690 845864061 /nfs/dbraw/zinc/86/40/61/845864061.db2.gz DCISRALAVHQWBT-CQSZACIVSA-N -1 0 370.427 -0.060 20 0 FBADRM CC(=O)N[C@@H](Cc1ccc(OC(=O)[C@H](O)CCC(=O)[O-])cc1)C(N)=O ZINC001227930348 845864443 /nfs/dbraw/zinc/86/44/43/845864443.db2.gz LCUROJTXCAUHNE-QWHCGFSZSA-N -1 0 352.343 -0.650 20 0 FBADRM O=C1NCCc2ccc(O[C@@H](CN3CCOCC3)CS(=O)(=O)[O-])cc21 ZINC001227956797 845866345 /nfs/dbraw/zinc/86/63/45/845866345.db2.gz RMYXXBMMVWSIFY-AWEZNQCLSA-N -1 0 370.427 -0.060 20 0 FBADRM O=C1NCCc2ccc(O[C@H](CN3CCOCC3)CS(=O)(=O)[O-])cc21 ZINC001227956799 845867219 /nfs/dbraw/zinc/86/72/19/845867219.db2.gz RMYXXBMMVWSIFY-CQSZACIVSA-N -1 0 370.427 -0.060 20 0 FBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1ncnc2cccnc21 ZINC001228011842 845867773 /nfs/dbraw/zinc/86/77/73/845867773.db2.gz XOWVGVNEHNKEEA-LLVKDONJSA-N -1 0 354.388 -0.008 20 0 FBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1ncnc2cccnc21 ZINC001228011844 845868345 /nfs/dbraw/zinc/86/83/45/845868345.db2.gz XOWVGVNEHNKEEA-NSHDSACASA-N -1 0 354.388 -0.008 20 0 FBADRM CSc1nc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])cc(=O)[nH]1 ZINC001228091216 845869150 /nfs/dbraw/zinc/86/91/50/845869150.db2.gz XGVNLKOUJAUTME-SECBINFHSA-N -1 0 365.433 -0.129 20 0 FBADRM CSc1nc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])cc(=O)[nH]1 ZINC001228091217 845869243 /nfs/dbraw/zinc/86/92/43/845869243.db2.gz XGVNLKOUJAUTME-VIFPVBQESA-N -1 0 365.433 -0.129 20 0 FBADRM NC(=O)c1ccc(O)cc1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001228163999 845870129 /nfs/dbraw/zinc/87/01/29/845870129.db2.gz UQUTUUSTXCTWBY-LLVKDONJSA-N -1 0 360.388 -0.542 20 0 FBADRM NC(=O)c1ccc(O)cc1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001228164000 845869974 /nfs/dbraw/zinc/86/99/74/845869974.db2.gz UQUTUUSTXCTWBY-NSHDSACASA-N -1 0 360.388 -0.542 20 0 FBADRM NC(=O)c1cc(O)cc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001228267528 845873662 /nfs/dbraw/zinc/87/36/62/845873662.db2.gz LOTIUQIIQWGSHT-CYBMUJFWSA-N -1 0 360.388 -0.542 20 0 FBADRM NC(=O)c1cc(O)cc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001228267529 845874281 /nfs/dbraw/zinc/87/42/81/845874281.db2.gz LOTIUQIIQWGSHT-ZDUSSCGKSA-N -1 0 360.388 -0.542 20 0 FBADRM Cc1noc2ncnc(O[C@@H](CN3CCOCC3)CS(=O)(=O)[O-])c12 ZINC001228303098 845875123 /nfs/dbraw/zinc/87/51/23/845875123.db2.gz APGUZVXJBMKJRV-JTQLQIEISA-N -1 0 358.376 -0.106 20 0 FBADRM Cc1noc2ncnc(O[C@H](CN3CCOCC3)CS(=O)(=O)[O-])c12 ZINC001228303100 845875072 /nfs/dbraw/zinc/87/50/72/845875072.db2.gz APGUZVXJBMKJRV-SNVBAGLBSA-N -1 0 358.376 -0.106 20 0 FBADRM C=CS(=O)(=O)CC(CS(=O)(=O)C=C)Oc1nnc(C(=O)OC)[n-]1 ZINC001228312614 845876099 /nfs/dbraw/zinc/87/60/99/845876099.db2.gz URRLMOUBHAUIEK-UHFFFAOYSA-N -1 0 365.389 -0.545 20 0 FBADRM CCOc1ncc(F)c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001228367525 845877668 /nfs/dbraw/zinc/87/76/68/845877668.db2.gz KOETYXVOOCOGLT-JTQLQIEISA-N -1 0 365.383 -0.018 20 0 FBADRM CCOc1ncc(F)c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001228367526 845876958 /nfs/dbraw/zinc/87/69/58/845876958.db2.gz KOETYXVOOCOGLT-SNVBAGLBSA-N -1 0 365.383 -0.018 20 0 FBADRM C=CS(=O)(=O)CC(CS(=O)(=O)C=C)Oc1nc(O)cc(=O)[n-]1 ZINC001228388553 845878661 /nfs/dbraw/zinc/87/86/61/845878661.db2.gz KLEGOEILOUKVTO-UHFFFAOYSA-N -1 0 350.374 -0.248 20 0 FBADRM O=c1cc(O)nc(OC[C@H]2COCCOCCOCCOCCO2)[n-]1 ZINC001228389074 845878445 /nfs/dbraw/zinc/87/84/45/845878445.db2.gz PXJJASYOUDDYCZ-GFCCVEGCSA-N -1 0 360.363 -0.268 20 0 FBADRM O=c1cc(O)nc(OC[C@@H]2COCCOCCOCCOCCO2)[n-]1 ZINC001228389075 845878635 /nfs/dbraw/zinc/87/86/35/845878635.db2.gz PXJJASYOUDDYCZ-LBPRGKRZSA-N -1 0 360.363 -0.268 20 0 FBADRM CC(=O)Nc1ccnc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001228444648 845879061 /nfs/dbraw/zinc/87/90/61/845879061.db2.gz CZAOSYDWRNHVKH-LLVKDONJSA-N -1 0 360.392 -0.598 20 0 FBADRM CC(=O)Nc1ccnc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001228444654 845879264 /nfs/dbraw/zinc/87/92/64/845879264.db2.gz CZAOSYDWRNHVKH-NSHDSACASA-N -1 0 360.392 -0.598 20 0 FBADRM CCCOc1nnc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])n1C ZINC001228452660 845879454 /nfs/dbraw/zinc/87/94/54/845879454.db2.gz MXNZDJNLUNQSOU-LLVKDONJSA-N -1 0 364.424 -0.429 20 0 FBADRM CCCOc1nnc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])n1C ZINC001228452661 845879329 /nfs/dbraw/zinc/87/93/29/845879329.db2.gz MXNZDJNLUNQSOU-NSHDSACASA-N -1 0 364.424 -0.429 20 0 FBADRM COc1ncc(F)c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001228465143 845879340 /nfs/dbraw/zinc/87/93/40/845879340.db2.gz MGYJSTVPIXGBTQ-SECBINFHSA-N -1 0 351.356 -0.408 20 0 FBADRM COc1ncc(F)c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001228465144 845879198 /nfs/dbraw/zinc/87/91/98/845879198.db2.gz MGYJSTVPIXGBTQ-VIFPVBQESA-N -1 0 351.356 -0.408 20 0 FBADRM COC(=O)[C@H](Cc1ccc(OC(=O)[C@H](O)CC(=O)[O-])cc1)NC(C)=O ZINC001228502301 845880117 /nfs/dbraw/zinc/88/01/17/845880117.db2.gz GGPZRXGJAKSJHK-QWHCGFSZSA-N -1 0 353.327 -0.352 20 0 FBADRM COC(=O)[C@H](Cc1ccc(OC(=O)[C@@H](O)CC(=O)[O-])cc1)NC(C)=O ZINC001228502305 845880072 /nfs/dbraw/zinc/88/00/72/845880072.db2.gz GGPZRXGJAKSJHK-STQMWFEESA-N -1 0 353.327 -0.352 20 0 FBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1ncnc2nccnc21 ZINC001228644039 845884884 /nfs/dbraw/zinc/88/48/84/845884884.db2.gz IJGFTAGJLPKFEN-JTQLQIEISA-N -1 0 355.376 -0.613 20 0 FBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1ncnc2nccnc21 ZINC001228644056 845884658 /nfs/dbraw/zinc/88/46/58/845884658.db2.gz IJGFTAGJLPKFEN-SNVBAGLBSA-N -1 0 355.376 -0.613 20 0 FBADRM Cn1cnc2nc(=O)[n-]c(O[C@@H](C[n+]3ccccc3)CS(=O)(=O)[O-])c21 ZINC001228674147 845886154 /nfs/dbraw/zinc/88/61/54/845886154.db2.gz LPGSPSUFIIKTQZ-JTQLQIEISA-O -1 0 366.379 -0.308 20 0 FBADRM Cn1cnc2nc(=O)[n-]c(O[C@H](C[n+]3ccccc3)CS(=O)(=O)[O-])c21 ZINC001228674166 845886042 /nfs/dbraw/zinc/88/60/42/845886042.db2.gz LPGSPSUFIIKTQZ-SNVBAGLBSA-O -1 0 366.379 -0.308 20 0 FBADRM Cn1cnc2nc(=O)[n-]c(OC[C@H]3COCCOCCOCCO3)c21 ZINC001228674990 845885895 /nfs/dbraw/zinc/88/58/95/845885895.db2.gz QFIKSSYXCVFAPF-LLVKDONJSA-N -1 0 354.363 -0.104 20 0 FBADRM Cn1cnc2nc(=O)[n-]c(OC[C@@H]3COCCOCCOCCO3)c21 ZINC001228674992 845885980 /nfs/dbraw/zinc/88/59/80/845885980.db2.gz QFIKSSYXCVFAPF-NSHDSACASA-N -1 0 354.363 -0.104 20 0 FBADRM Cn1cnc2nc(=O)[n-]c(O[C@H](CN3CCOCC3)CS(=O)(=O)[O-])c21 ZINC001228676706 845885996 /nfs/dbraw/zinc/88/59/96/845885996.db2.gz LCIYASDTGYAVJF-SECBINFHSA-N -1 0 373.391 -0.964 20 0 FBADRM Cn1cnc2nc(=O)[n-]c(O[C@@H](CN3CCOCC3)CS(=O)(=O)[O-])c21 ZINC001228676707 845886131 /nfs/dbraw/zinc/88/61/31/845886131.db2.gz LCIYASDTGYAVJF-VIFPVBQESA-N -1 0 373.391 -0.964 20 0 FBADRM O=c1[nH]nc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])c2ncccc12 ZINC001228703267 845885863 /nfs/dbraw/zinc/88/58/63/845885863.db2.gz GMNMBMGVUCWVOT-JTQLQIEISA-N -1 0 370.387 -0.302 20 0 FBADRM O=c1[nH]nc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])c2ncccc12 ZINC001228703268 845885974 /nfs/dbraw/zinc/88/59/74/845885974.db2.gz GMNMBMGVUCWVOT-SNVBAGLBSA-N -1 0 370.387 -0.302 20 0 FBADRM CCOC(=O)c1cnoc1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001228715576 845885578 /nfs/dbraw/zinc/88/55/78/845885578.db2.gz JGWFKZSZLXPOHV-JTQLQIEISA-N -1 0 364.376 -0.181 20 0 FBADRM CCOC(=O)c1cnoc1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001228715577 845886187 /nfs/dbraw/zinc/88/61/87/845886187.db2.gz JGWFKZSZLXPOHV-SNVBAGLBSA-N -1 0 364.376 -0.181 20 0 FBADRM COC(=O)c1cc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])ncn1 ZINC001228757469 845887089 /nfs/dbraw/zinc/88/70/89/845887089.db2.gz VBBDQCJVYONHKV-JTQLQIEISA-N -1 0 361.376 -0.769 20 0 FBADRM COC(=O)c1cc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])ncn1 ZINC001228757472 845886952 /nfs/dbraw/zinc/88/69/52/845886952.db2.gz VBBDQCJVYONHKV-SNVBAGLBSA-N -1 0 361.376 -0.769 20 0 FBADRM COC(=O)c1cnc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])nc1 ZINC001228773494 845887163 /nfs/dbraw/zinc/88/71/63/845887163.db2.gz MSIKHAQBICHWGR-LLVKDONJSA-N -1 0 361.376 -0.769 20 0 FBADRM COC(=O)c1cnc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])nc1 ZINC001228773495 845887081 /nfs/dbraw/zinc/88/70/81/845887081.db2.gz MSIKHAQBICHWGR-NSHDSACASA-N -1 0 361.376 -0.769 20 0 FBADRM COC(=O)c1ccnnc1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001228785029 845886900 /nfs/dbraw/zinc/88/69/00/845886900.db2.gz ACLWSLLYHIDBEX-JTQLQIEISA-N -1 0 361.376 -0.769 20 0 FBADRM COC(=O)c1ccnnc1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001228785031 845887014 /nfs/dbraw/zinc/88/70/14/845887014.db2.gz ACLWSLLYHIDBEX-SNVBAGLBSA-N -1 0 361.376 -0.769 20 0 FBADRM O=C1NCc2c1cccc2O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001228901314 845891592 /nfs/dbraw/zinc/89/15/92/845891592.db2.gz OKQUUQGTMGGWIJ-LLVKDONJSA-N -1 0 356.400 -0.103 20 0 FBADRM O=C1NCc2c1cccc2O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001228901317 845891217 /nfs/dbraw/zinc/89/12/17/845891217.db2.gz OKQUUQGTMGGWIJ-NSHDSACASA-N -1 0 356.400 -0.103 20 0 FBADRM Cn1ccc2ncnc(O[C@H](CN3CCOCC3)CS(=O)(=O)[O-])c21 ZINC001229017993 845894105 /nfs/dbraw/zinc/89/41/05/845894105.db2.gz RVNNIUFZSVRJCZ-LLVKDONJSA-N -1 0 356.404 -0.064 20 0 FBADRM Cn1ccc2ncnc(O[C@@H](CN3CCOCC3)CS(=O)(=O)[O-])c21 ZINC001229017994 845894428 /nfs/dbraw/zinc/89/44/28/845894428.db2.gz RVNNIUFZSVRJCZ-NSHDSACASA-N -1 0 356.404 -0.064 20 0 FBADRM C=CS(=O)(=O)CC(CS(=O)(=O)C=C)Oc1[nH]c(=O)[n-]c(=O)c1F ZINC001229120617 845896313 /nfs/dbraw/zinc/89/63/13/845896313.db2.gz UVYIRJWGIXSLBH-UHFFFAOYSA-N -1 0 368.364 -0.109 20 0 FBADRM O=C(CCN1CCOCC1)N[C@@H]1CCCC[C@H]1[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001229141345 845896599 /nfs/dbraw/zinc/89/65/99/845896599.db2.gz CQLBGAIXGJFIGF-CHWSQXEVSA-N -1 0 352.439 -0.250 20 0 FBADRM Cc1cc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])n2ncnc2n1 ZINC001229311466 845901137 /nfs/dbraw/zinc/90/11/37/845901137.db2.gz HIRARYYQYRGWNP-LLVKDONJSA-N -1 0 357.392 -0.600 20 0 FBADRM Cc1cc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])n2ncnc2n1 ZINC001229311471 845901924 /nfs/dbraw/zinc/90/19/24/845901924.db2.gz HIRARYYQYRGWNP-NSHDSACASA-N -1 0 357.392 -0.600 20 0 FBADRM Cn1[nH]c(CN[C@@H]2CCCC[C@H]2NC(=O)C(=O)NCC2CC2)nc1=O ZINC001229372893 845903034 /nfs/dbraw/zinc/90/30/34/845903034.db2.gz DRGMAJOZDXNWRY-VXGBXAGGSA-N -1 0 350.423 -0.848 20 0 FBADRM Cc1nc2nc[nH]c2c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001229440594 845904885 /nfs/dbraw/zinc/90/48/85/845904885.db2.gz OLJYWYLFUPBMFX-JTQLQIEISA-N -1 0 357.392 -0.371 20 0 FBADRM Cc1nc2nc[nH]c2c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001229440595 845904684 /nfs/dbraw/zinc/90/46/84/845904684.db2.gz OLJYWYLFUPBMFX-SNVBAGLBSA-N -1 0 357.392 -0.371 20 0 FBADRM O=C1NCCc2c(O[C@H](CN3CCOCC3)CS(=O)(=O)[O-])cccc21 ZINC001229519432 845906313 /nfs/dbraw/zinc/90/63/13/845906313.db2.gz FJVVMQHMRHMFIG-GFCCVEGCSA-N -1 0 370.427 -0.060 20 0 FBADRM O=C1NCCc2c(O[C@@H](CN3CCOCC3)CS(=O)(=O)[O-])cccc21 ZINC001229519433 845906054 /nfs/dbraw/zinc/90/60/54/845906054.db2.gz FJVVMQHMRHMFIG-LBPRGKRZSA-N -1 0 370.427 -0.060 20 0 FBADRM O=C1Cc2ccc(O[C@@H](CN3CCOCC3)CS(=O)(=O)[O-])cc2CN1 ZINC001229637706 845909693 /nfs/dbraw/zinc/90/96/93/845909693.db2.gz DAOZUDBYLUPRDZ-HNNXBMFYSA-N -1 0 370.427 -0.174 20 0 FBADRM O=C1Cc2ccc(O[C@H](CN3CCOCC3)CS(=O)(=O)[O-])cc2CN1 ZINC001229637707 845909096 /nfs/dbraw/zinc/90/90/96/845909096.db2.gz DAOZUDBYLUPRDZ-OAHLLOKOSA-N -1 0 370.427 -0.174 20 0 FBADRM CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)[C@H](O)CC(=O)[O-])cc1 ZINC001229682259 845909676 /nfs/dbraw/zinc/90/96/76/845909676.db2.gz RVWISFYGPQBCAX-GFCCVEGCSA-N -1 0 353.327 -0.399 20 0 FBADRM CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)[C@@H](O)CC(=O)[O-])cc1 ZINC001229682262 845909941 /nfs/dbraw/zinc/90/99/41/845909941.db2.gz RVWISFYGPQBCAX-LBPRGKRZSA-N -1 0 353.327 -0.399 20 0 FBADRM CCOC(=O)[C@H](Oc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C(F)(F)F ZINC001229705150 845910771 /nfs/dbraw/zinc/91/07/71/845910771.db2.gz PSHONGNUFSQBIE-LURJTMIESA-N -1 0 350.253 -0.167 20 0 FBADRM CCOC(=O)[C@@H](Oc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C(F)(F)F ZINC001229705154 845910475 /nfs/dbraw/zinc/91/04/75/845910475.db2.gz PSHONGNUFSQBIE-ZCFIWIBFSA-N -1 0 350.253 -0.167 20 0 FBADRM O=c1cc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])n2nccc2[nH]1 ZINC001229816143 845912613 /nfs/dbraw/zinc/91/26/13/845912613.db2.gz JBZZYFHAFSWJRL-JTQLQIEISA-N -1 0 358.376 -0.598 20 0 FBADRM O=c1cc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])n2nccc2[nH]1 ZINC001229816154 845912637 /nfs/dbraw/zinc/91/26/37/845912637.db2.gz JBZZYFHAFSWJRL-SNVBAGLBSA-N -1 0 358.376 -0.598 20 0 FBADRM O=c1cc(O[C@H](C[n+]2ccccc2)CS(=O)(=O)[O-])n2[n-]ccc2n1 ZINC001229819579 845912724 /nfs/dbraw/zinc/91/27/24/845912724.db2.gz HIQXFEUZEIJBQQ-LLVKDONJSA-O -1 0 351.364 -0.355 20 0 FBADRM O=c1cc(O[C@@H](C[n+]2ccccc2)CS(=O)(=O)[O-])n2[n-]ccc2n1 ZINC001229819580 845912962 /nfs/dbraw/zinc/91/29/62/845912962.db2.gz HIQXFEUZEIJBQQ-NSHDSACASA-O -1 0 351.364 -0.355 20 0 FBADRM NC(=O)c1ccc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])cc1F ZINC001229888189 845914397 /nfs/dbraw/zinc/91/43/97/845914397.db2.gz DNSSDWMTCQOFHM-LLVKDONJSA-N -1 0 362.379 -0.108 20 0 FBADRM NC(=O)c1ccc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])cc1F ZINC001229888262 845914505 /nfs/dbraw/zinc/91/45/05/845914505.db2.gz DNSSDWMTCQOFHM-NSHDSACASA-N -1 0 362.379 -0.108 20 0 FBADRM O=c1ccnc2c(O[C@H](CN3CCOCC3)CS(=O)(=O)[O-])cccn12 ZINC001229923384 845915778 /nfs/dbraw/zinc/91/57/78/845915778.db2.gz BBZPQIIDHZDJER-GFCCVEGCSA-N -1 0 369.399 -0.338 20 0 FBADRM O=c1ccnc2c(O[C@@H](CN3CCOCC3)CS(=O)(=O)[O-])cccn12 ZINC001229923389 845915734 /nfs/dbraw/zinc/91/57/34/845915734.db2.gz BBZPQIIDHZDJER-LBPRGKRZSA-N -1 0 369.399 -0.338 20 0 FBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1ccccc1-c1nn[nH]n1 ZINC001229954499 845916424 /nfs/dbraw/zinc/91/64/24/845916424.db2.gz LNPIZSLRWJOMPD-NSHDSACASA-N -1 0 369.403 -0.166 20 0 FBADRM COc1c(=O)[nH]c(C)nc1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001230021037 845917615 /nfs/dbraw/zinc/91/76/15/845917615.db2.gz KOEMOLMBPVXPPO-JTQLQIEISA-N -1 0 363.392 -0.533 20 0 FBADRM COc1c(=O)[nH]c(C)nc1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001230021040 845917754 /nfs/dbraw/zinc/91/77/54/845917754.db2.gz KOEMOLMBPVXPPO-SNVBAGLBSA-N -1 0 363.392 -0.533 20 0 FBADRM O=C1NCc2cc(O[C@H](CN3CCOCC3)CS(=O)(=O)[O-])ccc21 ZINC001230043475 845917273 /nfs/dbraw/zinc/91/72/73/845917273.db2.gz SYJBCFADVYUKFL-CYBMUJFWSA-N -1 0 356.400 -0.103 20 0 FBADRM O=C1NCc2cc(O[C@@H](CN3CCOCC3)CS(=O)(=O)[O-])ccc21 ZINC001230043476 845917647 /nfs/dbraw/zinc/91/76/47/845917647.db2.gz SYJBCFADVYUKFL-ZDUSSCGKSA-N -1 0 356.400 -0.103 20 0 FBADRM C[N@@H+]1CC[C@@H](Oc2c(O)cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])C1 ZINC001230147190 845921896 /nfs/dbraw/zinc/92/18/96/845921896.db2.gz SKGZEFMUYMRMCQ-SSDOTTSWSA-N -1 0 353.374 -0.032 20 0 FBADRM C[N@@H+]1CC[C@H](Oc2c(O)cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])C1 ZINC001230147191 845922428 /nfs/dbraw/zinc/92/24/28/845922428.db2.gz SKGZEFMUYMRMCQ-ZETCQYMHSA-N -1 0 353.374 -0.032 20 0 FBADRM C[C@@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)Oc1nc(Cl)nc(=O)[n-]1 ZINC001230241599 845927121 /nfs/dbraw/zinc/92/71/21/845927121.db2.gz IRLJLFAGZIIVQE-LURJTMIESA-N -1 0 367.753 -0.555 20 0 FBADRM C[C@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)Oc1nc(Cl)nc(=O)[n-]1 ZINC001230241600 845927025 /nfs/dbraw/zinc/92/70/25/845927025.db2.gz IRLJLFAGZIIVQE-ZCFIWIBFSA-N -1 0 367.753 -0.555 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)NCC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCS1(=O)=O ZINC001230502591 845936699 /nfs/dbraw/zinc/93/66/99/845936699.db2.gz INSNBOMVRYDVHP-GRYCIOLGSA-N -1 0 371.463 -0.338 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)NCC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCS1(=O)=O ZINC001230502592 845936740 /nfs/dbraw/zinc/93/67/40/845936740.db2.gz INSNBOMVRYDVHP-IJLUTSLNSA-N -1 0 371.463 -0.338 20 0 FBADRM COc1cnc(OC)nc1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001230519855 845937981 /nfs/dbraw/zinc/93/79/81/845937981.db2.gz KDSJCYQERQBJCY-JTQLQIEISA-N -1 0 363.392 -0.539 20 0 FBADRM COc1cnc(OC)nc1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001230519863 845937606 /nfs/dbraw/zinc/93/76/06/845937606.db2.gz KDSJCYQERQBJCY-SNVBAGLBSA-N -1 0 363.392 -0.539 20 0 FBADRM CO[N-]C(=O)CNC(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC001230588851 845938600 /nfs/dbraw/zinc/93/86/00/845938600.db2.gz HEDHUZVZLIXOFJ-UHFFFAOYSA-N -1 0 364.449 -0.380 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC ZINC001230644211 845939810 /nfs/dbraw/zinc/93/98/10/845939810.db2.gz FUPWUCYALWSFIH-GHMZBOCLSA-N -1 0 360.411 -0.012 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@@](O)(C2(C(=O)OC)CCC2)C1 ZINC001230645287 845939487 /nfs/dbraw/zinc/93/94/87/845939487.db2.gz ZEGKXRXEUZZYBZ-INIZCTEOSA-N -1 0 357.407 -0.066 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCC[C@](O)(C2(C(=O)OC)CCC2)C1 ZINC001230645288 845939588 /nfs/dbraw/zinc/93/95/88/845939588.db2.gz ZEGKXRXEUZZYBZ-MRXNPFEDSA-N -1 0 357.407 -0.066 20 0 FBADRM CO[N-]C(=O)CNC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC001230657140 845939277 /nfs/dbraw/zinc/93/92/77/845939277.db2.gz OTIMLLGIKVJABP-UHFFFAOYSA-N -1 0 370.840 -0.343 20 0 FBADRM CCOC(=O)c1cnc(OC(=O)[C@H](O)CC(=O)[O-])nc1C(=O)OCC ZINC001231055804 845945122 /nfs/dbraw/zinc/94/51/22/845945122.db2.gz GSWFAYGXDKQJSD-MRVPVSSYSA-N -1 0 356.287 -0.429 20 0 FBADRM CCOC(=O)c1cnc(OC(=O)[C@@H](O)CC(=O)[O-])nc1C(=O)OCC ZINC001231055807 845944888 /nfs/dbraw/zinc/94/48/88/845944888.db2.gz GSWFAYGXDKQJSD-QMMMGPOBSA-N -1 0 356.287 -0.429 20 0 FBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1ccc(-c2nn[nH]n2)cc1 ZINC001231073227 845945378 /nfs/dbraw/zinc/94/53/78/845945378.db2.gz JZESLQNJMLEPRH-CYBMUJFWSA-N -1 0 369.403 -0.166 20 0 FBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1ccc(-c2nn[nH]n2)cc1 ZINC001231073238 845945188 /nfs/dbraw/zinc/94/51/88/845945188.db2.gz JZESLQNJMLEPRH-ZDUSSCGKSA-N -1 0 369.403 -0.166 20 0 FBADRM O=C1NCc2ccc(O[C@H](CN3CCOCC3)CS(=O)(=O)[O-])cc21 ZINC001231101359 845946122 /nfs/dbraw/zinc/94/61/22/845946122.db2.gz XMUZGGHMOLVIQT-CYBMUJFWSA-N -1 0 356.400 -0.103 20 0 FBADRM O=C1NCc2ccc(O[C@@H](CN3CCOCC3)CS(=O)(=O)[O-])cc21 ZINC001231101360 845946434 /nfs/dbraw/zinc/94/64/34/845946434.db2.gz XMUZGGHMOLVIQT-ZDUSSCGKSA-N -1 0 356.400 -0.103 20 0 FBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1cccc(-c2nn[nH]n2)c1 ZINC001231118503 845946333 /nfs/dbraw/zinc/94/63/33/845946333.db2.gz PUIKITJVEOXDRM-CYBMUJFWSA-N -1 0 369.403 -0.166 20 0 FBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1cccc(-c2nn[nH]n2)c1 ZINC001231118504 845946181 /nfs/dbraw/zinc/94/61/81/845946181.db2.gz PUIKITJVEOXDRM-ZDUSSCGKSA-N -1 0 369.403 -0.166 20 0 FBADRM COc1ccc(C(N)=O)c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001231287697 845951082 /nfs/dbraw/zinc/95/10/82/845951082.db2.gz YGEHDNHVBXWAIO-GFCCVEGCSA-N -1 0 374.415 -0.239 20 0 FBADRM COc1ccc(C(N)=O)c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001231287698 845950982 /nfs/dbraw/zinc/95/09/82/845950982.db2.gz YGEHDNHVBXWAIO-LBPRGKRZSA-N -1 0 374.415 -0.239 20 0 FBADRM COC(=O)c1cc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])nn1C ZINC001231360729 845952091 /nfs/dbraw/zinc/95/20/91/845952091.db2.gz IXSRGHNRHXFGOS-JTQLQIEISA-N -1 0 363.392 -0.826 20 0 FBADRM COC(=O)c1cc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])nn1C ZINC001231360730 845952305 /nfs/dbraw/zinc/95/23/05/845952305.db2.gz IXSRGHNRHXFGOS-SNVBAGLBSA-N -1 0 363.392 -0.826 20 0 FBADRM Nc1ncnc(Cl)c1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001233627460 846001132 /nfs/dbraw/zinc/00/11/32/846001132.db2.gz RZWTWLSFTGCNEC-MRVPVSSYSA-N -1 0 352.800 -0.320 20 0 FBADRM Nc1ncnc(Cl)c1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001233627463 846001211 /nfs/dbraw/zinc/00/12/11/846001211.db2.gz RZWTWLSFTGCNEC-QMMMGPOBSA-N -1 0 352.800 -0.320 20 0 FBADRM COC(=O)c1c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])ccn1C ZINC001233780989 846003040 /nfs/dbraw/zinc/00/30/40/846003040.db2.gz BUXQHWFSIFDDAC-LLVKDONJSA-N -1 0 362.404 -0.221 20 0 FBADRM COC(=O)c1c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])ccn1C ZINC001233780993 846003559 /nfs/dbraw/zinc/00/35/59/846003559.db2.gz BUXQHWFSIFDDAC-NSHDSACASA-N -1 0 362.404 -0.221 20 0 FBADRM Nc1n[nH]c2ccnc(O[C@H](CN3CCOCC3)CS(=O)(=O)[O-])c12 ZINC001233958870 846007557 /nfs/dbraw/zinc/00/75/57/846007557.db2.gz JYRFHACHLXVNIE-SECBINFHSA-N -1 0 357.392 -0.493 20 0 FBADRM Nc1n[nH]c2ccnc(O[C@@H](CN3CCOCC3)CS(=O)(=O)[O-])c12 ZINC001233958877 846008259 /nfs/dbraw/zinc/00/82/59/846008259.db2.gz JYRFHACHLXVNIE-VIFPVBQESA-N -1 0 357.392 -0.493 20 0 FBADRM Nc1nc2ccc(O[C@H](CN3CCOCC3)CS(=O)(=O)[O-])cn2n1 ZINC001234016620 846008195 /nfs/dbraw/zinc/00/81/95/846008195.db2.gz UQGHHRYRLKVVCY-LLVKDONJSA-N -1 0 357.392 -0.721 20 0 FBADRM Nc1nc2ccc(O[C@@H](CN3CCOCC3)CS(=O)(=O)[O-])cn2n1 ZINC001234016621 846007809 /nfs/dbraw/zinc/00/78/09/846007809.db2.gz UQGHHRYRLKVVCY-NSHDSACASA-N -1 0 357.392 -0.721 20 0 FBADRM CO[N-]C(=O)CNC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC001234054755 846009338 /nfs/dbraw/zinc/00/93/38/846009338.db2.gz WXLHWIKDZNOULQ-UHFFFAOYSA-N -1 0 350.441 -0.444 20 0 FBADRM CNC(=O)[C@H](Cc1ccc(OC(=O)[C@H](O)CC(=O)[O-])cc1)NC(C)=O ZINC001234072801 846009204 /nfs/dbraw/zinc/00/92/04/846009204.db2.gz DHMFRXQOALWLEW-QWHCGFSZSA-N -1 0 352.343 -0.779 20 0 FBADRM CNC(=O)[C@H](Cc1ccc(OC(=O)[C@@H](O)CC(=O)[O-])cc1)NC(C)=O ZINC001234072802 846009253 /nfs/dbraw/zinc/00/92/53/846009253.db2.gz DHMFRXQOALWLEW-STQMWFEESA-N -1 0 352.343 -0.779 20 0 FBADRM NC(=O)c1c(O)cccc1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001234148466 846010571 /nfs/dbraw/zinc/01/05/71/846010571.db2.gz HOAWDPNXTSXTAH-JTQLQIEISA-N -1 0 360.388 -0.542 20 0 FBADRM NC(=O)c1c(O)cccc1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001234148468 846010464 /nfs/dbraw/zinc/01/04/64/846010464.db2.gz HOAWDPNXTSXTAH-SNVBAGLBSA-N -1 0 360.388 -0.542 20 0 FBADRM COC(=O)CC(CC(=O)OC)Oc1c(C(=O)OC)n[n-]c1C(=O)OC ZINC001234187922 846011810 /nfs/dbraw/zinc/01/18/10/846011810.db2.gz AOTOCVHEXKVQEH-UHFFFAOYSA-N -1 0 358.303 -0.144 20 0 FBADRM COC(=O)c1n[n-]c(C(=O)OC)c1OC[C@@H](COC(C)=O)OC(C)=O ZINC001234188389 846011302 /nfs/dbraw/zinc/01/13/02/846011302.db2.gz DLCPBQBPBAAHDS-SECBINFHSA-N -1 0 358.303 -0.144 20 0 FBADRM COC(=O)c1n[n-]c(C(=O)OC)c1OC[C@H](COC(C)=O)OC(C)=O ZINC001234188390 846011249 /nfs/dbraw/zinc/01/12/49/846011249.db2.gz DLCPBQBPBAAHDS-VIFPVBQESA-N -1 0 358.303 -0.144 20 0 FBADRM COC(=O)c1n[n-]c(C(=O)OC)c1OC(COC(C)=O)COC(C)=O ZINC001234189888 846011649 /nfs/dbraw/zinc/01/16/49/846011649.db2.gz OINIWRVBQIHABN-UHFFFAOYSA-N -1 0 358.303 -0.144 20 0 FBADRM COC(=O)CN1C[C@H](Oc2c(C(=O)OC)n[n-]c2C(=O)OC)CC1=O ZINC001234190280 846011339 /nfs/dbraw/zinc/01/13/39/846011339.db2.gz ROGAMTCZLXMQJQ-SSDOTTSWSA-N -1 0 355.303 -0.864 20 0 FBADRM COC(=O)CN1C[C@@H](Oc2c(C(=O)OC)n[n-]c2C(=O)OC)CC1=O ZINC001234190281 846011359 /nfs/dbraw/zinc/01/13/59/846011359.db2.gz ROGAMTCZLXMQJQ-ZETCQYMHSA-N -1 0 355.303 -0.864 20 0 FBADRM COC(=O)C[C@H](OC1=C([O-])C(C(=O)OC)N=C1C(=O)OC)C(=O)OC ZINC001234351628 846013724 /nfs/dbraw/zinc/01/37/24/846013724.db2.gz OHRXTCYWVCACLA-LURJTMIESA-N -1 0 359.287 -0.223 20 0 FBADRM COC(=O)C1=NC(C(=O)OC)C([O-])=C1O[C@@H]1C[C@@H](C(=O)OC)N(C)C1 ZINC001234353888 846013964 /nfs/dbraw/zinc/01/39/64/846013964.db2.gz DTMTXORPDINQDR-SFYZADRCSA-N -1 0 356.331 -0.082 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@H](F)[C@@H](Oc2c([O-])c(=O)c(=O)c(=O)c2=O)C1 ZINC001234372037 846013821 /nfs/dbraw/zinc/01/38/21/846013821.db2.gz FPHPIBLYBFSVDK-BQBZGAKWSA-N -1 0 357.290 -0.955 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@@H](Oc2c([O-])c(=O)c(=O)c(=O)c2=O)[C@@H](F)C1 ZINC001234372041 846013918 /nfs/dbraw/zinc/01/39/18/846013918.db2.gz FPHPIBLYBFSVDK-NKWVEPMBSA-N -1 0 357.290 -0.955 20 0 FBADRM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1c([O-])c(=O)c(=O)c(=O)c1=O ZINC001234373154 846013883 /nfs/dbraw/zinc/01/38/83/846013883.db2.gz PAECIPORNOLQEW-SFYZADRCSA-N -1 0 353.327 -0.657 20 0 FBADRM CC(C)(C)OC(=O)N1CCC(Oc2c([O-])c(=O)c(=O)c(=O)c2=O)CC1 ZINC001234373283 846013745 /nfs/dbraw/zinc/01/37/45/846013745.db2.gz QSQFASRDDRXMGQ-UHFFFAOYSA-N -1 0 353.327 -0.513 20 0 FBADRM CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H](Oc2c([O-])c(=O)c(=O)c(=O)c2=O)C1 ZINC001234373616 846013412 /nfs/dbraw/zinc/01/34/12/846013412.db2.gz RYKGEMDIQZODPK-OCAPTIKFSA-N -1 0 353.327 -0.515 20 0 FBADRM CN(C(=O)OC(C)(C)C)[C@H]1C[C@H](Oc2c([O-])c(=O)c(=O)c(=O)c2=O)C1 ZINC001234373618 846013517 /nfs/dbraw/zinc/01/35/17/846013517.db2.gz RYKGEMDIQZODPK-ZKCHVHJHSA-N -1 0 353.327 -0.515 20 0 FBADRM COC(=O)[C@@H](Cc1ccc(F)cc1)Oc1c([O-])c(=O)c(=O)c(=O)c1=O ZINC001234374172 846013561 /nfs/dbraw/zinc/01/35/61/846013561.db2.gz URFRDAPILKCBFL-SECBINFHSA-N -1 0 350.254 -0.989 20 0 FBADRM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2c([O-])c(=O)c(=O)c(=O)c2=O)C1 ZINC001234374181 846014009 /nfs/dbraw/zinc/01/40/09/846014009.db2.gz UTWWCZAMXUDDQJ-MRVPVSSYSA-N -1 0 353.327 -0.513 20 0 FBADRM C[C@@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC001234375760 846013989 /nfs/dbraw/zinc/01/39/89/846013989.db2.gz LYNSLIDOMLGVQC-SSDOTTSWSA-N -1 0 353.327 -0.657 20 0 FBADRM C[C@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC001234375763 846014003 /nfs/dbraw/zinc/01/40/03/846014003.db2.gz LYNSLIDOMLGVQC-ZETCQYMHSA-N -1 0 353.327 -0.657 20 0 FBADRM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1c([O-])c(=O)c(=O)c(=O)c1=O ZINC001234376169 846013794 /nfs/dbraw/zinc/01/37/94/846013794.db2.gz PAECIPORNOLQEW-HTQZYQBOSA-N -1 0 353.327 -0.657 20 0 FBADRM O=c1c([O-])c(OC2CCN(c3ccnc(Cl)n3)CC2)c(=O)c(=O)c1=O ZINC001234376181 846013739 /nfs/dbraw/zinc/01/37/39/846013739.db2.gz PBIADFGINRGACK-UHFFFAOYSA-N -1 0 365.729 -0.800 20 0 FBADRM O=c1c([O-])c(OC2CCN(c3ccc(Cl)nn3)CC2)c(=O)c(=O)c1=O ZINC001234376587 846013525 /nfs/dbraw/zinc/01/35/25/846013525.db2.gz QHTLPFMDJZMACD-UHFFFAOYSA-N -1 0 365.729 -0.800 20 0 FBADRM CCOC(=O)[C@@H](C)[C@@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)C(F)(F)F ZINC001234376763 846013762 /nfs/dbraw/zinc/01/37/62/846013762.db2.gz SVBKJOBFVTYYTB-AQPAIEDISA-N -1 0 352.217 -0.783 20 0 FBADRM CCOC(=O)[C@@H](C)[C@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)C(F)(F)F ZINC001234376769 846013941 /nfs/dbraw/zinc/01/39/41/846013941.db2.gz SVBKJOBFVTYYTB-AUIPBDMJSA-N -1 0 352.217 -0.783 20 0 FBADRM CCOC(=O)[C@H](C)[C@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)C(F)(F)F ZINC001234376770 846013985 /nfs/dbraw/zinc/01/39/85/846013985.db2.gz SVBKJOBFVTYYTB-IBDLBZOISA-N -1 0 352.217 -0.783 20 0 FBADRM CCOC(=O)[C@H](C)[C@@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)C(F)(F)F ZINC001234376772 846013766 /nfs/dbraw/zinc/01/37/66/846013766.db2.gz SVBKJOBFVTYYTB-IOHHNLJHSA-N -1 0 352.217 -0.783 20 0 FBADRM C[C@@H]1C[C@@H](Oc2c([O-])c(=O)c(=O)c(=O)c2=O)CN1C(=O)OC(C)(C)C ZINC001234377083 846013774 /nfs/dbraw/zinc/01/37/74/846013774.db2.gz XGLHHOXBBCRSQZ-HTQZYQBOSA-N -1 0 353.327 -0.515 20 0 FBADRM C[C@@H]1C[C@H](Oc2c([O-])c(=O)c(=O)c(=O)c2=O)CN1C(=O)OC(C)(C)C ZINC001234377086 846013866 /nfs/dbraw/zinc/01/38/66/846013866.db2.gz XGLHHOXBBCRSQZ-SFYZADRCSA-N -1 0 353.327 -0.515 20 0 FBADRM O=c1c([O-])c(OC2CCN(c3cc(Cl)ncn3)CC2)c(=O)c(=O)c1=O ZINC001234377265 846013652 /nfs/dbraw/zinc/01/36/52/846013652.db2.gz ZIPNBKKMZGIVRN-UHFFFAOYSA-N -1 0 365.729 -0.800 20 0 FBADRM CC(C)C1(C(C)C)OC[C@@H](CCOc2c([O-])c(=O)c(=O)c(=O)c2=O)O1 ZINC001234378045 846013799 /nfs/dbraw/zinc/01/37/99/846013799.db2.gz HTJPNXRKIFVRSX-SNVBAGLBSA-N -1 0 354.355 -0.099 20 0 FBADRM COC(=O)[C@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)c1ccccc1Cl ZINC001234378618 846013631 /nfs/dbraw/zinc/01/36/31/846013631.db2.gz NHUHIILCJDEPEF-CYBMUJFWSA-N -1 0 352.682 -0.345 20 0 FBADRM O=c1c([O-])c(O[C@@H]2COc3c2cccc3Br)c(=O)c(=O)c1=O ZINC001234378975 846013931 /nfs/dbraw/zinc/01/39/31/846013931.db2.gz PPEWKHKTGZQBCQ-SSDOTTSWSA-N -1 0 367.107 -0.016 20 0 FBADRM O=c1c([O-])c(O[C@H]2COc3c2cccc3Br)c(=O)c(=O)c1=O ZINC001234378976 846013979 /nfs/dbraw/zinc/01/39/79/846013979.db2.gz PPEWKHKTGZQBCQ-ZETCQYMHSA-N -1 0 367.107 -0.016 20 0 FBADRM CC(C)(C)OC(=O)N1CC=C[C@@H](Oc2c([O-])c(=O)c(=O)c(=O)c2=O)C1 ZINC001234379007 846013890 /nfs/dbraw/zinc/01/38/90/846013890.db2.gz QDHVKQBNOKBBOY-MRVPVSSYSA-N -1 0 351.311 -0.737 20 0 FBADRM CC(C)(C)OC(=O)N1CC=C[C@H](Oc2c([O-])c(=O)c(=O)c(=O)c2=O)C1 ZINC001234379008 846013912 /nfs/dbraw/zinc/01/39/12/846013912.db2.gz QDHVKQBNOKBBOY-QMMMGPOBSA-N -1 0 351.311 -0.737 20 0 FBADRM Cc1cc(N2CC[C@@H](Oc3c([O-])c(=O)c(=O)c(=O)c3=O)C2)nc(Cl)n1 ZINC001234379022 846013685 /nfs/dbraw/zinc/01/36/85/846013685.db2.gz QNRKGQXTPXQFBA-SSDOTTSWSA-N -1 0 365.729 -0.882 20 0 FBADRM COC(=O)[C@@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)c1cccc(Cl)c1 ZINC001234379511 846013677 /nfs/dbraw/zinc/01/36/77/846013677.db2.gz WBRDTZBGBNYPBO-ZDUSSCGKSA-N -1 0 352.682 -0.345 20 0 FBADRM O=C1NCCc2cccc(O[C@H](CN3CCOCC3)CS(=O)(=O)[O-])c21 ZINC001234650490 846017884 /nfs/dbraw/zinc/01/78/84/846017884.db2.gz FQQPDWTWEYBKIB-CYBMUJFWSA-N -1 0 370.427 -0.060 20 0 FBADRM O=C1NCCc2cccc(O[C@@H](CN3CCOCC3)CS(=O)(=O)[O-])c21 ZINC001234650496 846017871 /nfs/dbraw/zinc/01/78/71/846017871.db2.gz FQQPDWTWEYBKIB-ZDUSSCGKSA-N -1 0 370.427 -0.060 20 0 FBADRM CNC(=O)c1ncccc1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001234653613 846017673 /nfs/dbraw/zinc/01/76/73/846017673.db2.gz ZIAZIFKIJRPVIA-LLVKDONJSA-N -1 0 359.404 -0.591 20 0 FBADRM CNC(=O)c1ncccc1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001234653616 846017819 /nfs/dbraw/zinc/01/78/19/846017819.db2.gz ZIAZIFKIJRPVIA-NSHDSACASA-N -1 0 359.404 -0.591 20 0 FBADRM COC(=O)c1ccnc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001234673302 846017976 /nfs/dbraw/zinc/01/79/76/846017976.db2.gz XDOBRSAURQAWSY-JTQLQIEISA-N -1 0 361.376 -0.769 20 0 FBADRM COC(=O)c1ccnc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001234673303 846017625 /nfs/dbraw/zinc/01/76/25/846017625.db2.gz XDOBRSAURQAWSY-SNVBAGLBSA-N -1 0 361.376 -0.769 20 0 FBADRM O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1nc(F)nc2nc[nH]c21 ZINC001234688381 846017580 /nfs/dbraw/zinc/01/75/80/846017580.db2.gz AAWATZCCRYHQOF-MRVPVSSYSA-N -1 0 361.355 -0.541 20 0 FBADRM O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1nc(F)nc2nc[nH]c21 ZINC001234688383 846017757 /nfs/dbraw/zinc/01/77/57/846017757.db2.gz AAWATZCCRYHQOF-QMMMGPOBSA-N -1 0 361.355 -0.541 20 0 FBADRM COc1cnnc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])c1OC ZINC001234824106 846021228 /nfs/dbraw/zinc/02/12/28/846021228.db2.gz CBXDMTXDTDDMNW-JTQLQIEISA-N -1 0 363.392 -0.539 20 0 FBADRM COc1cnnc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])c1OC ZINC001234824109 846022763 /nfs/dbraw/zinc/02/27/63/846022763.db2.gz CBXDMTXDTDDMNW-SNVBAGLBSA-N -1 0 363.392 -0.539 20 0 FBADRM COCc1ncc(F)c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001234876783 846022833 /nfs/dbraw/zinc/02/28/33/846022833.db2.gz GQLSCAPUEQSFRH-JTQLQIEISA-N -1 0 365.383 -0.271 20 0 FBADRM COCc1ncc(F)c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001234876787 846022803 /nfs/dbraw/zinc/02/28/03/846022803.db2.gz GQLSCAPUEQSFRH-SNVBAGLBSA-N -1 0 365.383 -0.271 20 0 FBADRM COC(=O)c1cc(CN2CCN(CCCCS(=O)(=O)[O-])CC2)nn1C ZINC001237573402 846043848 /nfs/dbraw/zinc/04/38/48/846043848.db2.gz KMSBXIRRPMBJKQ-UHFFFAOYSA-N -1 0 374.463 -0.008 20 0 FBADRM CCOC(=O)[C@H](N)CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001238841278 846068660 /nfs/dbraw/zinc/06/86/60/846068660.db2.gz XFHLXISBNORTCR-SECBINFHSA-N -1 0 352.315 -0.168 20 0 FBADRM CCOC(=O)c1sc(S(=O)(=O)[N-]C[C@@H](N)C(=O)OCC)nc1C ZINC001238841338 846068764 /nfs/dbraw/zinc/06/87/64/846068764.db2.gz XUMJQPOBHJEXJE-MRVPVSSYSA-N -1 0 365.433 -0.203 20 0 FBADRM CCOC(=O)[C@H](N)CNS(=O)(=O)c1ccc(OCC)c(C(=O)[O-])c1 ZINC001238841406 846068640 /nfs/dbraw/zinc/06/86/40/846068640.db2.gz YSNSQSCHRVNFDU-LLVKDONJSA-N -1 0 360.388 -0.048 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCn3cnc(CO)c3C2)ccc1O ZINC001239076817 846074390 /nfs/dbraw/zinc/07/43/90/846074390.db2.gz YEJXLSADRBECNK-UHFFFAOYSA-N -1 0 353.356 -0.016 20 0 FBADRM COC(=O)[C@@H]1CNCCN1S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001239109467 846078532 /nfs/dbraw/zinc/07/85/32/846078532.db2.gz JMMOVLHTRNDWCV-NSHDSACASA-N -1 0 358.372 -0.471 20 0 FBADRM CCOc1ccc(S(=O)(=O)N2CCNC[C@H]2C(=O)OC)cc1C(=O)[O-] ZINC001239110607 846078520 /nfs/dbraw/zinc/07/85/20/846078520.db2.gz IGOPKVGLMFNGSO-LBPRGKRZSA-N -1 0 372.399 -0.081 20 0 FBADRM COC(=O)[C@@H]1CNCCN1S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001239110977 846079500 /nfs/dbraw/zinc/07/95/00/846079500.db2.gz LSRVQFODIBZSHM-LBPRGKRZSA-N -1 0 358.372 -0.715 20 0 FBADRM COC(=O)[C@@H]1CNCCN1S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001239111329 846079452 /nfs/dbraw/zinc/07/94/52/846079452.db2.gz QFCSEYCZAFKMSX-JTQLQIEISA-N -1 0 364.326 -0.202 20 0 FBADRM COC(=O)[C@@H]1CNCCN1S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001239111579 846079397 /nfs/dbraw/zinc/07/93/97/846079397.db2.gz WZPZFFFJMOQALA-ZDUSSCGKSA-N -1 0 356.400 -0.161 20 0 FBADRM CN1CCN(S(=O)(=O)c2cccnc2-c2cnn(CC(=O)[O-])c2)CC1 ZINC001242183195 846087272 /nfs/dbraw/zinc/08/72/72/846087272.db2.gz HVEOKMDSVFXYTB-UHFFFAOYSA-N -1 0 365.415 -0.034 20 0 FBADRM CN1CCN(S(=O)(=O)c2ccc(-c3cnn(CC(=O)[O-])c3)nc2)CC1 ZINC001242183240 846087442 /nfs/dbraw/zinc/08/74/42/846087442.db2.gz IQUILXPIAVESKF-UHFFFAOYSA-N -1 0 365.415 -0.034 20 0 FBADRM COC(=O)CNS(=O)(=O)c1ccc(-c2cnn(CC(=O)[O-])c2)nc1 ZINC001242183279 846087685 /nfs/dbraw/zinc/08/76/85/846087685.db2.gz JUPGYNPCXVQPBU-UHFFFAOYSA-N -1 0 354.344 -0.519 20 0 FBADRM O=C([O-])Cn1cc(-c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)cn1 ZINC001242183670 846087258 /nfs/dbraw/zinc/08/72/58/846087258.db2.gz RFGHTAILKFXAEN-UHFFFAOYSA-N -1 0 364.383 -0.100 20 0 FBADRM COC(=O)Cc1cc(-c2cnn(CC(=O)[O-])c2)ccc1S(N)(=O)=O ZINC001242186490 846087705 /nfs/dbraw/zinc/08/77/05/846087705.db2.gz BZLJOIGLLIYXJZ-UHFFFAOYSA-N -1 0 353.356 -0.002 20 0 FBADRM CC(=O)[N-]S(=O)(=O)c1ccc(-c2cnn(CS(C)(=O)=O)c2)nc1 ZINC001242751586 846088695 /nfs/dbraw/zinc/08/86/95/846088695.db2.gz QNDQYLTURSNCMS-UHFFFAOYSA-N -1 0 358.401 -0.228 20 0 FBADRM CC(=O)[N-]S(=O)(=O)c1ccc(-c2cnn(CCS(C)(=O)=O)c2)nc1 ZINC001245478432 846091502 /nfs/dbraw/zinc/09/15/02/846091502.db2.gz JUGRQEQDMXFWEL-UHFFFAOYSA-N -1 0 372.428 -0.186 20 0 FBADRM O=C([O-])CCOCCOCCOCCOCCn1cc(CCO)nn1 ZINC001246057405 846093467 /nfs/dbraw/zinc/09/34/67/846093467.db2.gz NRGJNQBAOXEQPT-UHFFFAOYSA-N -1 0 361.395 -0.646 20 0 FBADRM COC(=O)[C@H](CC[S@@](C)=O)NCc1cn(CCCCC(=O)[O-])nn1 ZINC001246067108 846094692 /nfs/dbraw/zinc/09/46/92/846094692.db2.gz UXWHIQIHXAELSO-FNODVLLQSA-N -1 0 360.436 -0.067 20 0 FBADRM COC(=O)[C@H](CC[S@](C)=O)NCc1cn(CCCCC(=O)[O-])nn1 ZINC001246067109 846094739 /nfs/dbraw/zinc/09/47/39/846094739.db2.gz UXWHIQIHXAELSO-MCFWBGNESA-N -1 0 360.436 -0.067 20 0 FBADRM COC(=O)[C@H](CC[S@@](C)=O)NCc1cn(C(C)(C)CC(=O)[O-])nn1 ZINC001246068201 846094623 /nfs/dbraw/zinc/09/46/23/846094623.db2.gz ZIRCVCDNCLEFAN-APXPCNQMSA-N -1 0 360.436 -0.112 20 0 FBADRM COC(=O)[C@H](CC[S@](C)=O)NCc1cn(C(C)(C)CC(=O)[O-])nn1 ZINC001246068203 846094774 /nfs/dbraw/zinc/09/47/74/846094774.db2.gz ZIRCVCDNCLEFAN-BUBHHJDNSA-N -1 0 360.436 -0.112 20 0 FBADRM C[C@H]1[C@H](NC(=S)NCCCC[S@@](C)=O)C(=O)N1S(=O)(=O)[O-] ZINC001246980598 846111283 /nfs/dbraw/zinc/11/12/83/846111283.db2.gz KDJUVLFKHFUDHD-DDIDRBJESA-N -1 0 357.479 -0.989 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)C(F)F)cc(OC)c1OCC(N)=O ZINC001248696029 846124536 /nfs/dbraw/zinc/12/45/36/846124536.db2.gz DVBDBFBDGWCZAH-UHFFFAOYSA-N -1 0 368.314 -0.150 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C ZINC001248718858 846125578 /nfs/dbraw/zinc/12/55/78/846125578.db2.gz IISOLAZNDWWHDO-UHFFFAOYSA-N -1 0 370.431 -0.249 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc2c(c1)OCC(=O)N2 ZINC001249615246 846126537 /nfs/dbraw/zinc/12/65/37/846126537.db2.gz DTWCMRGESKSBJZ-UHFFFAOYSA-N -1 0 368.331 -0.971 20 0 FBADRM CS(=O)(=O)CCn1cc([N-]S(=O)(=O)c2ccc(N)c(N)c2)cn1 ZINC001249680359 846127135 /nfs/dbraw/zinc/12/71/35/846127135.db2.gz XEZNPMMXZLJOOY-UHFFFAOYSA-N -1 0 359.433 -0.107 20 0 FBADRM CS(=O)(=O)CCn1cc([N-]S(=O)(=O)c2cc(N)ccc2N)cn1 ZINC001249685476 846127364 /nfs/dbraw/zinc/12/73/64/846127364.db2.gz NKOOQZPGPHAYIO-UHFFFAOYSA-N -1 0 359.433 -0.107 20 0 FBADRM Cn1cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c2ccncc21 ZINC001249692551 846127216 /nfs/dbraw/zinc/12/72/16/846127216.db2.gz DZSFEEANXXNQCF-UHFFFAOYSA-N -1 0 351.348 -0.416 20 0 FBADRM CSc1ccccc1[N-]C(=S)NCC(=O)NCC(=O)NCC(N)=O ZINC001249717732 846127533 /nfs/dbraw/zinc/12/75/33/846127533.db2.gz XQZALFFSIGOHAV-UHFFFAOYSA-N -1 0 369.472 -0.587 20 0 FBADRM CC(=O)Nc1ccc(-n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)cn1 ZINC001249741587 846127297 /nfs/dbraw/zinc/12/72/97/846127297.db2.gz IYBNJPREKSMPPQ-UHFFFAOYSA-N -1 0 355.336 -0.949 20 0 FBADRM COc1cc(OC)c(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cn1 ZINC001249905817 846129633 /nfs/dbraw/zinc/12/96/33/846129633.db2.gz MVKSCZZQPQRRQL-UHFFFAOYSA-N -1 0 358.336 -0.890 20 0 FBADRM CN1Cc2c(cccc2-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)C1=O ZINC001249937405 846129692 /nfs/dbraw/zinc/12/96/92/846129692.db2.gz SMLXJIPZNNZSCE-UHFFFAOYSA-N -1 0 366.359 -0.717 20 0 FBADRM CN1Cc2ccc(-n3c(N)c(N)c(OS(=O)(=O)[O-])nc3=N)cc2C1=O ZINC001249979790 846130773 /nfs/dbraw/zinc/13/07/73/846130773.db2.gz WLNJBUSCFOMNNU-UHFFFAOYSA-N -1 0 366.359 -0.717 20 0 FBADRM Cc1cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c(C)cc1CO ZINC001250058374 846130784 /nfs/dbraw/zinc/13/07/84/846130784.db2.gz CLWGPRMYJHKLMF-UHFFFAOYSA-N -1 0 355.376 -0.193 20 0 FBADRM CSc1cnc(F)c(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001250137765 846130262 /nfs/dbraw/zinc/13/02/62/846130262.db2.gz JVQOKMKRNKYPLV-UHFFFAOYSA-N -1 0 362.368 -0.046 20 0 FBADRM COc1nc(OC)c(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1C ZINC001250181892 846130671 /nfs/dbraw/zinc/13/06/71/846130671.db2.gz GYSQIADVLNFTKY-UHFFFAOYSA-N -1 0 372.363 -0.582 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1c(F)ccc(CO)c1F ZINC001250252517 846130590 /nfs/dbraw/zinc/13/05/90/846130590.db2.gz MTGOCAIULZEDGE-UHFFFAOYSA-N -1 0 363.302 -0.532 20 0 FBADRM COc1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c(Cl)n1 ZINC001250285753 840640177 /nfs/dbraw/zinc/64/01/77/840640177.db2.gz AQHWAOQKMGGZRQ-UHFFFAOYSA-N -1 0 362.755 -0.245 20 0 FBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc2c(c1)NC(=O)C2 ZINC001250314213 846131346 /nfs/dbraw/zinc/13/13/46/846131346.db2.gz JVPWFDXGGGMQFN-UHFFFAOYSA-N -1 0 352.332 -0.808 20 0 FBADRM COC(=O)c1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1N ZINC001250333927 846131390 /nfs/dbraw/zinc/13/13/90/846131390.db2.gz PCJTYKBNCUEORW-UHFFFAOYSA-N -1 0 370.347 -0.933 20 0 FBADRM CC(=O)Nc1nc(C)c(S(=O)(=O)N[C@H]2SC(=O)[N-]C2=O)s1 ZINC001250829693 846134161 /nfs/dbraw/zinc/13/41/61/846134161.db2.gz UUKNODHFTOFVNL-LURJTMIESA-N -1 0 350.403 -0.003 20 0 FBADRM CC(=O)Nc1nc(C)c(S(=O)(=O)N[C@@H]2SC(=O)[N-]C2=O)s1 ZINC001250829694 846134117 /nfs/dbraw/zinc/13/41/17/846134117.db2.gz UUKNODHFTOFVNL-ZCFIWIBFSA-N -1 0 350.403 -0.003 20 0 FBADRM C[C@H]1[C@H](NS(=O)(=O)c2cccc3cccnc32)C(=O)N1S(=O)(=O)[O-] ZINC001251022912 846136690 /nfs/dbraw/zinc/13/66/90/846136690.db2.gz PYYZLVOABZJYCM-KWQFWETISA-N -1 0 371.396 -0.085 20 0 FBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC[C@@H](O)CN2CCOCC2)cc1 ZINC001251028059 846137846 /nfs/dbraw/zinc/13/78/46/846137846.db2.gz BGPFGKNXJLJRSH-CYBMUJFWSA-N -1 0 373.431 -0.164 20 0 FBADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC[C@H](O)CN2CCOCC2)cc1 ZINC001251028060 846137602 /nfs/dbraw/zinc/13/76/02/846137602.db2.gz BGPFGKNXJLJRSH-ZDUSSCGKSA-N -1 0 373.431 -0.164 20 0 FBADRM NC(=O)[N-]S(=O)(=O)c1ccc(NC[C@@H](O)CN2CCOCC2)cc1 ZINC001251028326 846137989 /nfs/dbraw/zinc/13/79/89/846137989.db2.gz CMFCEGYODIXWLT-GFCCVEGCSA-N -1 0 358.420 -0.851 20 0 FBADRM NC(=O)[N-]S(=O)(=O)c1ccc(NC[C@H](O)CN2CCOCC2)cc1 ZINC001251028327 846137533 /nfs/dbraw/zinc/13/75/33/846137533.db2.gz CMFCEGYODIXWLT-LBPRGKRZSA-N -1 0 358.420 -0.851 20 0 FBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC[C@H](O)CN2CCOCC2)cc1 ZINC001251030895 846137668 /nfs/dbraw/zinc/13/76/68/846137668.db2.gz FJFRMWQNLMLTJQ-HNNXBMFYSA-N -1 0 371.459 -0.590 20 0 FBADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC[C@@H](O)CN2CCOCC2)cc1 ZINC001251030896 846137789 /nfs/dbraw/zinc/13/77/89/846137789.db2.gz FJFRMWQNLMLTJQ-OAHLLOKOSA-N -1 0 371.459 -0.590 20 0 FBADRM O=P([O-])([O-])C1([NH2+]C[C@H](O)CN2CCOCC2)Cc2ccccc2C1 ZINC001251036675 846137640 /nfs/dbraw/zinc/13/76/40/846137640.db2.gz LDNDFVNEWVVBCR-HNNXBMFYSA-N -1 0 356.359 -0.058 20 0 FBADRM O=P([O-])([O-])C1([NH2+]C[C@@H](O)CN2CCOCC2)Cc2ccccc2C1 ZINC001251036685 846138021 /nfs/dbraw/zinc/13/80/21/846138021.db2.gz LDNDFVNEWVVBCR-OAHLLOKOSA-N -1 0 356.359 -0.058 20 0 FBADRM CN(C)S(=O)(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC001251078114 846141385 /nfs/dbraw/zinc/14/13/85/846141385.db2.gz KFVWSARGDLLCNP-VIFPVBQESA-N -1 0 367.474 -0.176 20 0 FBADRM CCOC(=O)C1(NS(=O)(=O)N(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC001251107642 846142613 /nfs/dbraw/zinc/14/26/13/846142613.db2.gz WUBQYCIRVWCIAE-UHFFFAOYSA-N -1 0 351.425 -0.065 20 0 FBADRM Cc1cc(=O)oc2cc(NC(=O)[C@H](CO)NS(=O)(=O)N(C)C)ccc12 ZINC001251109424 846142385 /nfs/dbraw/zinc/14/23/85/846142385.db2.gz AMDSMYRAYQYZRR-LBPRGKRZSA-N -1 0 369.399 -0.203 20 0 FBADRM COCCn1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cn1 ZINC001251131157 846143699 /nfs/dbraw/zinc/14/36/99/846143699.db2.gz CUNHBHBEIWHKSU-UHFFFAOYSA-N -1 0 365.371 -0.140 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cn1 ZINC001251131164 846143622 /nfs/dbraw/zinc/14/36/22/846143622.db2.gz DCEDRQLTTSXIDT-UHFFFAOYSA-N -1 0 363.399 -0.051 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)c2cnc3n(c2=O)CCS3)s1 ZINC001251189137 846146326 /nfs/dbraw/zinc/14/63/26/846146326.db2.gz XJCWANGMHSTZBC-UHFFFAOYSA-N -1 0 374.429 -0.176 20 0 FBADRM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001251249117 846148729 /nfs/dbraw/zinc/14/87/29/846148729.db2.gz JOVJRBKPYKZHCY-UHFFFAOYSA-N -1 0 361.387 -0.170 20 0 FBADRM NC(=O)CNC(=O)C[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC001251252864 846147692 /nfs/dbraw/zinc/14/76/92/846147692.db2.gz FKINGKRKFSOJOR-UHFFFAOYSA-N -1 0 361.248 -0.738 20 0 FBADRM NC(=O)C[C@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(N)=O ZINC001251253287 846148239 /nfs/dbraw/zinc/14/82/39/846148239.db2.gz RFVSIKYPDVUIPX-REOHCLBHSA-N -1 0 361.248 -0.610 20 0 FBADRM COCCOCCC(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C ZINC001251275801 846149437 /nfs/dbraw/zinc/14/94/37/846149437.db2.gz NYWGZWSOCOTEEC-UHFFFAOYSA-N -1 0 359.404 -0.359 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001251349020 846150428 /nfs/dbraw/zinc/15/04/28/846150428.db2.gz AZWXKKMCQPZNAD-GHMZBOCLSA-N -1 0 360.411 -0.012 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001251349021 846150443 /nfs/dbraw/zinc/15/04/43/846150443.db2.gz AZWXKKMCQPZNAD-MNOVXSKESA-N -1 0 360.411 -0.012 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001251349022 846150272 /nfs/dbraw/zinc/15/02/72/846150272.db2.gz AZWXKKMCQPZNAD-QWRGUYRKSA-N -1 0 360.411 -0.012 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001251349023 846150454 /nfs/dbraw/zinc/15/04/54/846150454.db2.gz AZWXKKMCQPZNAD-WDEREUQCSA-N -1 0 360.411 -0.012 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 ZINC001251349955 846150221 /nfs/dbraw/zinc/15/02/21/846150221.db2.gz KABWKQMPRFNZCG-GZMMTYOYSA-N -1 0 373.353 -0.185 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 ZINC001251349956 846150253 /nfs/dbraw/zinc/15/02/53/846150253.db2.gz KABWKQMPRFNZCG-KCJUWKMLSA-N -1 0 373.353 -0.185 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 ZINC001251349957 846150449 /nfs/dbraw/zinc/15/04/49/846150449.db2.gz KABWKQMPRFNZCG-KWQFWETISA-N -1 0 373.353 -0.185 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 ZINC001251349958 846150404 /nfs/dbraw/zinc/15/04/04/846150404.db2.gz KABWKQMPRFNZCG-LDYMZIIASA-N -1 0 373.353 -0.185 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC001251349960 846150516 /nfs/dbraw/zinc/15/05/16/846150516.db2.gz KBEUSZUHQLQMRD-UHFFFAOYSA-N -1 0 368.415 -0.550 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC001251350015 846150351 /nfs/dbraw/zinc/15/03/51/846150351.db2.gz LHRTUZGVROHREO-AGIUHOORSA-N -1 0 356.423 -0.495 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC001251350016 846150436 /nfs/dbraw/zinc/15/04/36/846150436.db2.gz LHRTUZGVROHREO-FRRDWIJNSA-N -1 0 356.423 -0.495 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC001251350017 846150531 /nfs/dbraw/zinc/15/05/31/846150531.db2.gz LHRTUZGVROHREO-JHJVBQTASA-N -1 0 356.423 -0.495 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC001251350018 846150393 /nfs/dbraw/zinc/15/03/93/846150393.db2.gz LHRTUZGVROHREO-UPJWGTAASA-N -1 0 356.423 -0.495 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CC(C)(c2nnc(C3CCOCC3)o2)C1 ZINC001251350207 846150470 /nfs/dbraw/zinc/15/04/70/846150470.db2.gz QBIMZRVICTWNKX-UHFFFAOYSA-N -1 0 353.379 -0.076 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001251350333 846151368 /nfs/dbraw/zinc/15/13/68/846151368.db2.gz VAAZFDBFGUPYRM-UHFFFAOYSA-N -1 0 370.431 -0.099 20 0 FBADRM CC(C)CS(=O)(=O)[N-]C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC001251416284 846152501 /nfs/dbraw/zinc/15/25/01/846152501.db2.gz GPJKFGWVDLNBKZ-UHFFFAOYSA-N -1 0 367.435 -0.162 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)C2CCN(c3cnccn3)CC2)n[n-]1 ZINC001251472031 846153728 /nfs/dbraw/zinc/15/37/28/846153728.db2.gz OCIAIUCAUNLJGN-UHFFFAOYSA-N -1 0 351.392 -0.147 20 0 FBADRM Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)NC2=NCC(=O)N2)cn1 ZINC001251472149 846153534 /nfs/dbraw/zinc/15/35/34/846153534.db2.gz QTRMVVGYULHLLX-UHFFFAOYSA-N -1 0 368.400 -0.502 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCCC2)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC001251486490 846154676 /nfs/dbraw/zinc/15/46/76/846154676.db2.gz UBIOHOGXMATLDQ-GFCCVEGCSA-N -1 0 372.447 -0.214 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCCC2)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC001251486491 846154767 /nfs/dbraw/zinc/15/47/67/846154767.db2.gz UBIOHOGXMATLDQ-LBPRGKRZSA-N -1 0 372.447 -0.214 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)Cc1cnn(C)c1 ZINC001251486545 846154905 /nfs/dbraw/zinc/15/49/05/846154905.db2.gz VIDKZPABOZQBDN-UHFFFAOYSA-N -1 0 351.388 -0.436 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)C1CCOCC1)N1C(=O)NC2(CCCC2)C1=O ZINC001251514412 846154683 /nfs/dbraw/zinc/15/46/83/846154683.db2.gz QSLBICVVKFWRKY-JTQLQIEISA-N -1 0 373.431 -0.136 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)C1CCOCC1)N1C(=O)NC2(CCCC2)C1=O ZINC001251514413 846154661 /nfs/dbraw/zinc/15/46/61/846154661.db2.gz QSLBICVVKFWRKY-SNVBAGLBSA-N -1 0 373.431 -0.136 20 0 FBADRM C[C@H]1[C@H](NC[C@H](O)COCC(F)(F)C(F)F)C(=O)N1S(=O)(=O)[O-] ZINC001251627189 846158355 /nfs/dbraw/zinc/15/83/55/846158355.db2.gz KCQMMZQFNQPTQQ-ACZMJKKPSA-N -1 0 368.305 -0.744 20 0 FBADRM C[C@H]1[C@H](NC[C@@H](O)COCC(F)(F)C(F)F)C(=O)N1S(=O)(=O)[O-] ZINC001251627190 846158419 /nfs/dbraw/zinc/15/84/19/846158419.db2.gz KCQMMZQFNQPTQQ-XVMARJQXSA-N -1 0 368.305 -0.744 20 0 FBADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)C2CCOCC2)C1 ZINC001251636798 846158152 /nfs/dbraw/zinc/15/81/52/846158152.db2.gz RTEJOCAOWGRMPS-LLVKDONJSA-N -1 0 368.477 -0.327 20 0 FBADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C2CCOCC2)C1 ZINC001251636804 846157844 /nfs/dbraw/zinc/15/78/44/846157844.db2.gz RTEJOCAOWGRMPS-NSHDSACASA-N -1 0 368.477 -0.327 20 0 FBADRM CCN(C1CCCCC1)S(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O ZINC001251678167 846160032 /nfs/dbraw/zinc/16/00/32/846160032.db2.gz PONIYXACZWWTPY-UHFFFAOYSA-N -1 0 355.482 -0.107 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC001251678358 846160131 /nfs/dbraw/zinc/16/01/31/846160131.db2.gz ZXJAHQVLULLCLZ-UHFFFAOYSA-N -1 0 356.408 -0.297 20 0 FBADRM O=C(CSc1nnnn1CC(F)(F)F)[N-]S(=O)(=O)C(F)F ZINC001251683203 846159953 /nfs/dbraw/zinc/15/99/53/846159953.db2.gz MHCZNYLSMVCQSY-UHFFFAOYSA-N -1 0 355.270 -0.004 20 0 FBADRM CS(=O)(=O)c1ccc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1 ZINC001251693263 846160111 /nfs/dbraw/zinc/16/01/11/846160111.db2.gz AHDJTIKPUFSHBG-UHFFFAOYSA-N -1 0 361.383 -0.209 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1cc(=O)n2ccsc2n1 ZINC001251699207 846160942 /nfs/dbraw/zinc/16/09/42/846160942.db2.gz TWDJQPJFWSZNFD-UHFFFAOYSA-N -1 0 358.339 -0.116 20 0 FBADRM COC(=O)CSCCC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC001251706113 846160923 /nfs/dbraw/zinc/16/09/23/846160923.db2.gz ZVBZUPBKUHUWNW-UHFFFAOYSA-N -1 0 360.413 -0.113 20 0 FBADRM CS(=O)(=O)Nc1ccccc1CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001251768181 846161897 /nfs/dbraw/zinc/16/18/97/846161897.db2.gz RYJNHODPARTOSU-GFCCVEGCSA-N -1 0 366.403 -0.286 20 0 FBADRM CS(=O)(=O)Nc1ccccc1CC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001251768182 846162295 /nfs/dbraw/zinc/16/22/95/846162295.db2.gz RYJNHODPARTOSU-LBPRGKRZSA-N -1 0 366.403 -0.286 20 0 FBADRM O=C1[N-]OC[C@H]1NS(=O)(=O)c1ccc(I)cc1 ZINC001251791147 846163328 /nfs/dbraw/zinc/16/33/28/846163328.db2.gz GOAWMSYDCMLFBH-MRVPVSSYSA-N -1 0 368.152 -0.001 20 0 FBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2ncccc2C(=O)N(C)C)CCC1 ZINC001251839636 846164348 /nfs/dbraw/zinc/16/43/48/846164348.db2.gz LSTAUSYMIWVTEW-UHFFFAOYSA-N -1 0 368.415 -0.495 20 0 FBADRM COC(=O)Cc1csc(N(C)C(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1 ZINC001251866065 846165329 /nfs/dbraw/zinc/16/53/29/846165329.db2.gz DLPDEQUNXHJJSW-UHFFFAOYSA-N -1 0 362.371 -0.094 20 0 FBADRM Cc1nn2c([n-]nc2SCC(=O)N2CCC3(CC2)OCCO3)nc1=O ZINC001251875477 846165619 /nfs/dbraw/zinc/16/56/19/846165619.db2.gz XJSFRHLSBIDULT-UHFFFAOYSA-N -1 0 366.403 -0.421 20 0 FBADRM Cn1ncc2c1nc(CCC(=O)[N-]S(=O)(=O)c1ccccn1)[nH]c2=O ZINC001251898645 846166968 /nfs/dbraw/zinc/16/69/68/846166968.db2.gz CXSKIDSMVLVNOI-UHFFFAOYSA-N -1 0 362.371 -0.098 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CCCn2ccccc2=O)cc1C(N)=O ZINC001251906578 846167829 /nfs/dbraw/zinc/16/78/29/846167829.db2.gz VONIEESBYPPLOZ-UHFFFAOYSA-N -1 0 366.399 -0.429 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1 ZINC001251953644 846168233 /nfs/dbraw/zinc/16/82/33/846168233.db2.gz LFKBHJTWDWRLDY-XVKPBYJWSA-N -1 0 350.374 -0.624 20 0 FBADRM Cc1cc(C(=O)[N-]S(=O)(=O)C(F)F)nc2c1c(=O)n(C)c(=O)n2C ZINC001252031229 846172321 /nfs/dbraw/zinc/17/23/21/846172321.db2.gz CRADOUIKZDBNOG-UHFFFAOYSA-N -1 0 362.314 -0.777 20 0 FBADRM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001252051640 846173203 /nfs/dbraw/zinc/17/32/03/846173203.db2.gz MAUBFTDFURCSAW-NXEZZACHSA-N -1 0 353.404 -0.457 20 0 FBADRM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001252051642 846173115 /nfs/dbraw/zinc/17/31/15/846173115.db2.gz MAUBFTDFURCSAW-UWVGGRQHSA-N -1 0 353.404 -0.457 20 0 FBADRM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001252051643 846173086 /nfs/dbraw/zinc/17/30/86/846173086.db2.gz MAUBFTDFURCSAW-VHSXEESVSA-N -1 0 353.404 -0.457 20 0 FBADRM CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001252051645 846173257 /nfs/dbraw/zinc/17/32/57/846173257.db2.gz MAUBFTDFURCSAW-ZJUUUORDSA-N -1 0 353.404 -0.457 20 0 FBADRM C[C@H](Cn1cnc2c1ncnc2NC[C@H](O)CO)OC[P@@](=O)([O-])O ZINC001252054180 846173272 /nfs/dbraw/zinc/17/32/72/846173272.db2.gz NXUOQHBWUMTZCV-BDAKNGLRSA-N -1 0 361.295 -0.868 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)[N-]S(=O)(=O)C(F)F)C(=O)C1 ZINC001252080790 846175125 /nfs/dbraw/zinc/17/51/25/846175125.db2.gz VPVBTLUPDYOYMK-UHFFFAOYSA-N -1 0 371.362 -0.266 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)n1 ZINC001252216153 846178662 /nfs/dbraw/zinc/17/86/62/846178662.db2.gz WDTJCGYCSPBWLW-UHFFFAOYSA-N -1 0 370.366 -0.078 20 0 FBADRM CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2cccc3c2COC3=O)n1 ZINC001252216569 846178314 /nfs/dbraw/zinc/17/83/14/846178314.db2.gz ZWNOSKHKXTYKFK-UHFFFAOYSA-N -1 0 365.371 -0.163 20 0 FBADRM O=S(=O)([N-]c1cc(N2CCN(CCO)CC2)ncn1)C(F)(F)F ZINC001252287495 846180394 /nfs/dbraw/zinc/18/03/94/846180394.db2.gz YEMBOVYWPJKPJH-UHFFFAOYSA-N -1 0 355.342 -0.148 20 0 FBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C ZINC001252295046 846180799 /nfs/dbraw/zinc/18/07/99/846180799.db2.gz HBUNGVWBLWZVFK-UHFFFAOYSA-N -1 0 370.431 -0.105 20 0 FBADRM O=C([N-]S(=O)(=O)CC(F)(F)F)C1CCC2(CC1)NC(=O)NC2=O ZINC001252296269 846181701 /nfs/dbraw/zinc/18/17/01/846181701.db2.gz VGRGBTFDFDVICK-UHFFFAOYSA-N -1 0 357.310 -0.237 20 0 FBADRM Cc1cn([C@H]2C[C@H]([N-]S(=O)(=O)C(F)(F)F)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001252395785 846184055 /nfs/dbraw/zinc/18/40/55/846184055.db2.gz JAGCQBWSEWZRMO-XLPZGREQSA-N -1 0 373.309 -0.655 20 0 FBADRM NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)C(F)(F)F ZINC001252400486 846183919 /nfs/dbraw/zinc/18/39/19/846183919.db2.gz AMLNWJYJRFXPJF-VIFPVBQESA-N -1 0 369.321 -0.656 20 0 FBADRM NC(=O)CNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)C(F)(F)F ZINC001252407191 846184011 /nfs/dbraw/zinc/18/40/11/846184011.db2.gz TZRBQRVYUOVJCS-VIFPVBQESA-N -1 0 353.322 -0.362 20 0 FBADRM NC(=O)[C@H](Cc1ccccc1)NC(=O)C[N-]S(=O)(=O)C(F)(F)F ZINC001252407358 846183697 /nfs/dbraw/zinc/18/36/97/846183697.db2.gz VYBMTEBRQXDVMA-VIFPVBQESA-N -1 0 353.322 -0.362 20 0 FBADRM NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[N-]S(=O)(=O)C(F)(F)F ZINC001252407473 846183760 /nfs/dbraw/zinc/18/37/60/846183760.db2.gz YRSDZNXNJBWZQW-VIFPVBQESA-N -1 0 369.321 -0.656 20 0 FBADRM COC(=O)[C@@H](O)CN=c1ncnc2[nH][n-]c(I)c1-2 ZINC001252407938 846183679 /nfs/dbraw/zinc/18/36/79/846183679.db2.gz PDSLSHOLEDJBKM-BYPYZUCNSA-N -1 0 363.115 -0.723 20 0 FBADRM COC(=O)[C@H](O)CN=c1ncnc2[nH][n-]c(I)c1-2 ZINC001252407939 846183704 /nfs/dbraw/zinc/18/37/04/846183704.db2.gz PDSLSHOLEDJBKM-SCSAIBSYSA-N -1 0 363.115 -0.723 20 0 FBADRM COC(=O)[C@@H](O)CN1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC001252422579 846187660 /nfs/dbraw/zinc/18/76/60/846187660.db2.gz CUUNKNXCTJCFET-UWVGGRQHSA-N -1 0 362.429 -0.449 20 0 FBADRM COC(=O)[C@H](O)CN1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC001252422580 846187727 /nfs/dbraw/zinc/18/77/27/846187727.db2.gz CUUNKNXCTJCFET-VHSXEESVSA-N -1 0 362.429 -0.449 20 0 FBADRM CC(C)S(=O)(=O)[N-]c1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O ZINC001252426874 846188151 /nfs/dbraw/zinc/18/81/51/846188151.db2.gz HEOCUSZEXBDBAH-IGJMFERPSA-N -1 0 357.392 -0.383 20 0 FBADRM CC(C)S(=O)(=O)[N-]c1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC001252427887 846188156 /nfs/dbraw/zinc/18/81/56/846188156.db2.gz VXRZZSKILPZVJV-IVZWLZJFSA-N -1 0 357.392 -0.383 20 0 FBADRM COC(=O)[C@H](O)CCn1cnc2c1ncnc2[N-]S(=O)(=O)C(C)C ZINC001252433110 846188908 /nfs/dbraw/zinc/18/89/08/846188908.db2.gz ILBVSWCUZQNXJG-SECBINFHSA-N -1 0 357.392 -0.100 20 0 FBADRM COC(=O)[C@@H](O)CCn1cnc2c1ncnc2[N-]S(=O)(=O)C(C)C ZINC001252433116 846189100 /nfs/dbraw/zinc/18/91/00/846189100.db2.gz ILBVSWCUZQNXJG-VIFPVBQESA-N -1 0 357.392 -0.100 20 0 FBADRM CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)C1 ZINC001252465443 846190433 /nfs/dbraw/zinc/19/04/33/846190433.db2.gz AUNBWVKCQAJZRW-CYBMUJFWSA-N -1 0 359.429 -0.090 20 0 FBADRM CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)C1 ZINC001252465444 846190361 /nfs/dbraw/zinc/19/03/61/846190361.db2.gz AUNBWVKCQAJZRW-ZDUSSCGKSA-N -1 0 359.429 -0.090 20 0 FBADRM CN1C(=O)C[C@@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)c2ccccc21 ZINC001252628280 846195148 /nfs/dbraw/zinc/19/51/48/846195148.db2.gz HVAHFOMNSSCWMB-GFCCVEGCSA-N -1 0 353.400 -0.170 20 0 FBADRM CN1C(=O)C[C@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)c2ccccc21 ZINC001252628292 846194921 /nfs/dbraw/zinc/19/49/21/846194921.db2.gz HVAHFOMNSSCWMB-LBPRGKRZSA-N -1 0 353.400 -0.170 20 0 FBADRM CS(=O)(=O)[N-]c1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC001252635608 846195160 /nfs/dbraw/zinc/19/51/60/846195160.db2.gz SSZKFWGZHGKUBE-RRKCRQDMSA-N -1 0 363.783 -0.508 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCCc1ccc(S(=O)(=O)NC)cc1 ZINC001252653310 846195215 /nfs/dbraw/zinc/19/52/15/846195215.db2.gz FEPLVEHYQDEWGX-UHFFFAOYSA-N -1 0 358.420 -0.496 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC001252653454 846195185 /nfs/dbraw/zinc/19/51/85/846195185.db2.gz GYNQXZATFRWLQU-VXGBXAGGSA-N -1 0 362.452 -0.254 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1 ZINC001252653908 846194765 /nfs/dbraw/zinc/19/47/65/846194765.db2.gz OXIDBEFROJILAB-UHFFFAOYSA-N -1 0 372.447 -0.055 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1S(=O)(=O)N1CCN(CCO)CC1 ZINC001252712496 846197228 /nfs/dbraw/zinc/19/72/28/846197228.db2.gz DXKXBNSOEOXHJV-UHFFFAOYSA-N -1 0 363.461 -0.643 20 0 FBADRM COc1ccc(OC[C@H](O)CN[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1 ZINC001252735191 846197543 /nfs/dbraw/zinc/19/75/43/846197543.db2.gz QIRDFHRIMDELPD-CWSCBRNRSA-N -1 0 360.388 -0.573 20 0 FBADRM COc1ccc(OC[C@@H](O)CN[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1 ZINC001252735192 846197452 /nfs/dbraw/zinc/19/74/52/846197452.db2.gz QIRDFHRIMDELPD-KWBADKCTSA-N -1 0 360.388 -0.573 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CCOC2CCOCC2)cc1C(N)=O ZINC001252739305 846197129 /nfs/dbraw/zinc/19/71/29/846197129.db2.gz DIQHHSKTUKYARV-UHFFFAOYSA-N -1 0 359.404 -0.485 20 0 FBADRM CCOC(=O)[C@H]([N-]S(C)(=O)=O)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001252763157 846199016 /nfs/dbraw/zinc/19/90/16/846199016.db2.gz UOCUOCOOEFGPSQ-NEPJUHHUSA-N -1 0 365.429 -0.396 20 0 FBADRM COC[C@@H](O)CNc1ncnc2c1ncn2CCOC[P@@](=O)([O-])O ZINC001252811758 846200004 /nfs/dbraw/zinc/20/00/04/846200004.db2.gz UJZMZFDZBFDUIT-VIFPVBQESA-N -1 0 361.295 -0.603 20 0 FBADRM COc1ccccc1OC[C@H](O)CN[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001252905137 846204507 /nfs/dbraw/zinc/20/45/07/846204507.db2.gz NFSHLTYBAZLAGB-CWSCBRNRSA-N -1 0 360.388 -0.573 20 0 FBADRM COc1ccccc1OC[C@@H](O)CN[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001252905138 846204034 /nfs/dbraw/zinc/20/40/34/846204034.db2.gz NFSHLTYBAZLAGB-KWBADKCTSA-N -1 0 360.388 -0.573 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)c1 ZINC001252975489 846205556 /nfs/dbraw/zinc/20/55/56/846205556.db2.gz YIZCDXVQNNQNDU-SECBINFHSA-N -1 0 360.413 -0.579 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)c1 ZINC001252975490 846205966 /nfs/dbraw/zinc/20/59/66/846205966.db2.gz YIZCDXVQNNQNDU-VIFPVBQESA-N -1 0 360.413 -0.579 20 0 FBADRM O=S(=O)(CC(F)(F)F)[N-]c1cc(N2CCN(CCO)CC2)ncn1 ZINC001253118290 846209669 /nfs/dbraw/zinc/20/96/69/846209669.db2.gz MGJKJUABPKMXHL-UHFFFAOYSA-N -1 0 369.369 -0.105 20 0 FBADRM COCCn1nc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)ccc1=O ZINC001253139568 846210357 /nfs/dbraw/zinc/21/03/57/846210357.db2.gz WMMPKDFQZDFSHZ-GFCCVEGCSA-N -1 0 353.375 -0.014 20 0 FBADRM COCCn1nc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)ccc1=O ZINC001253139569 846210367 /nfs/dbraw/zinc/21/03/67/846210367.db2.gz WMMPKDFQZDFSHZ-LBPRGKRZSA-N -1 0 353.375 -0.014 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NC[C@@H](O)COc1ccc(CCO)cc1 ZINC001253162750 846211136 /nfs/dbraw/zinc/21/11/36/846211136.db2.gz KPTZIQNSHBWSJR-HIFRSBDPSA-N -1 0 355.387 -0.043 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NC[C@H](O)COc1ccc(CCO)cc1 ZINC001253162752 846211258 /nfs/dbraw/zinc/21/12/58/846211258.db2.gz KPTZIQNSHBWSJR-ZFWWWQNUSA-N -1 0 355.387 -0.043 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cn(Cc2ccccn2)nn1 ZINC001253163628 846211608 /nfs/dbraw/zinc/21/16/08/846211608.db2.gz ULPABZOUEZWSDJ-UHFFFAOYSA-N -1 0 369.403 -0.556 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC001253163713 846211086 /nfs/dbraw/zinc/21/10/86/846211086.db2.gz USKSKORMJQXKAG-UHFFFAOYSA-N -1 0 373.387 -0.442 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O ZINC001253189780 846212370 /nfs/dbraw/zinc/21/23/70/846212370.db2.gz DMKGKDWHIHCTDO-AWEZNQCLSA-N -1 0 360.436 -0.200 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O ZINC001253189781 846212963 /nfs/dbraw/zinc/21/29/63/846212963.db2.gz DMKGKDWHIHCTDO-CQSZACIVSA-N -1 0 360.436 -0.200 20 0 FBADRM CS(=O)(=O)N1CCN(CC[N-]S(=O)(=O)CC(F)(F)F)CC1 ZINC001253223648 846214072 /nfs/dbraw/zinc/21/40/72/846214072.db2.gz DDRIDOGNXHPBGC-UHFFFAOYSA-N -1 0 353.388 -0.955 20 0 FBADRM NC(=O)CNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)CC(F)(F)F ZINC001253261770 846215296 /nfs/dbraw/zinc/21/52/96/846215296.db2.gz XSSMXHRTARADQU-JTQLQIEISA-N -1 0 367.349 -0.319 20 0 FBADRM NC(=O)[C@H](Cc1ccccc1)NC(=O)C[N-]S(=O)(=O)CC(F)(F)F ZINC001253261789 846214949 /nfs/dbraw/zinc/21/49/49/846214949.db2.gz YUFXFLXTIDMPTD-JTQLQIEISA-N -1 0 367.349 -0.319 20 0 FBADRM C[C@H]1[C@H]([NH2+]C[C@@H](O)CCOCc2ccccc2)C(=O)N1S(=O)(=O)[O-] ZINC001253289725 846215445 /nfs/dbraw/zinc/21/54/45/846215445.db2.gz XKJPUUJLHXQZIH-UBHSHLNASA-N -1 0 358.416 -0.054 20 0 FBADRM C[C@H]1[C@H]([NH2+]C[C@H](O)CCOCc2ccccc2)C(=O)N1S(=O)(=O)[O-] ZINC001253289726 846214750 /nfs/dbraw/zinc/21/47/50/846214750.db2.gz XKJPUUJLHXQZIH-YUTCNCBUSA-N -1 0 358.416 -0.054 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@@H](O)CN1CCCC1=O ZINC001253296026 846214635 /nfs/dbraw/zinc/21/46/35/846214635.db2.gz VZESBAFNEJQWND-LLVKDONJSA-N -1 0 373.406 -0.090 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@H](O)CN1CCCC1=O ZINC001253296027 846214706 /nfs/dbraw/zinc/21/47/06/846214706.db2.gz VZESBAFNEJQWND-NSHDSACASA-N -1 0 373.406 -0.090 20 0 FBADRM Cn1[n-]nnc1=NC[C@H](O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253299477 846215465 /nfs/dbraw/zinc/21/54/65/846215465.db2.gz DZISBRICVWEXIA-LLVKDONJSA-N -1 0 356.427 -0.443 20 0 FBADRM Cn1[n-]nnc1=NC[C@@H](O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253299478 846214902 /nfs/dbraw/zinc/21/49/02/846214902.db2.gz DZISBRICVWEXIA-NSHDSACASA-N -1 0 356.427 -0.443 20 0 FBADRM CC(C)(C)OC(=O)N1CCC(O)(C[C@@H](O)CNCS(=O)(=O)[O-])CC1 ZINC001253333930 846217336 /nfs/dbraw/zinc/21/73/36/846217336.db2.gz QUAVQUZBDQIMIL-LLVKDONJSA-N -1 0 368.452 -0.066 20 0 FBADRM CC(C)(C)OC(=O)N1CCC(O)(C[C@H](O)CNCS(=O)(=O)[O-])CC1 ZINC001253333931 846217271 /nfs/dbraw/zinc/21/72/71/846217271.db2.gz QUAVQUZBDQIMIL-NSHDSACASA-N -1 0 368.452 -0.066 20 0 FBADRM O=C(NCc1nc(=O)o[n-]1)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC001253554834 846224578 /nfs/dbraw/zinc/22/45/78/846224578.db2.gz QECNFRAXRRAZHX-UHFFFAOYSA-N -1 0 368.371 -0.686 20 0 FBADRM CCCS(=O)(=O)[N-]c1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC001253618399 846228226 /nfs/dbraw/zinc/22/82/26/846228226.db2.gz JLLCEACCEDAUTO-IVZWLZJFSA-N -1 0 357.392 -0.381 20 0 FBADRM CCCS(=O)(=O)[N-]c1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O ZINC001253619018 846228054 /nfs/dbraw/zinc/22/80/54/846228054.db2.gz RPOPPNJOEBVODQ-IGJMFERPSA-N -1 0 357.392 -0.381 20 0 FBADRM CCCS(=O)(=O)[N-]c1ncnc2c1ncn2CC[C@@H](O)C(=O)OC ZINC001253626720 846228116 /nfs/dbraw/zinc/22/81/16/846228116.db2.gz NPZHZMGJXSHPSN-SECBINFHSA-N -1 0 357.392 -0.098 20 0 FBADRM CCCS(=O)(=O)[N-]c1ncnc2c1ncn2CC[C@H](O)C(=O)OC ZINC001253626726 846228179 /nfs/dbraw/zinc/22/81/79/846228179.db2.gz NPZHZMGJXSHPSN-VIFPVBQESA-N -1 0 357.392 -0.098 20 0 FBADRM CCCS(=O)(=O)[N-]c1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001253634250 846228314 /nfs/dbraw/zinc/22/83/14/846228314.db2.gz MVFHGCKSCGSPJV-ZHSDAYTOSA-N -1 0 372.403 -0.806 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC001253653552 846229152 /nfs/dbraw/zinc/22/91/52/846229152.db2.gz GTLBEIJGORGFCW-UHFFFAOYSA-N -1 0 353.422 -0.154 20 0 FBADRM C[C@H]1[C@H](NC[C@@](C)(O)C(=O)OCc2ccccc2)C(=O)N1S(=O)(=O)[O-] ZINC001253656568 846229894 /nfs/dbraw/zinc/22/98/94/846229894.db2.gz PWQRIEBIHGXCDX-ITDIGPHOSA-N -1 0 372.399 -0.528 20 0 FBADRM C[C@H]1[C@H](NC[C@](C)(O)C(=O)OCc2ccccc2)C(=O)N1S(=O)(=O)[O-] ZINC001253656569 846228907 /nfs/dbraw/zinc/22/89/07/846228907.db2.gz PWQRIEBIHGXCDX-WBIUFABUSA-N -1 0 372.399 -0.528 20 0 FBADRM CC(C)(C)OC(=O)[C@H](O)CN1CCN(CCCCS(=O)(=O)[O-])CC1 ZINC001253692131 846230979 /nfs/dbraw/zinc/23/09/79/846230979.db2.gz WBAYAQXWBHGTCJ-CYBMUJFWSA-N -1 0 366.480 -0.025 20 0 FBADRM CC(C)(C)OC(=O)[C@@H](O)CN1CCN(CCCCS(=O)(=O)[O-])CC1 ZINC001253692132 846231024 /nfs/dbraw/zinc/23/10/24/846231024.db2.gz WBAYAQXWBHGTCJ-ZDUSSCGKSA-N -1 0 366.480 -0.025 20 0 FBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC001253781552 846232111 /nfs/dbraw/zinc/23/21/11/846232111.db2.gz CRJULWLQENQDME-SECBINFHSA-N -1 0 355.372 -0.069 20 0 FBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC001253781561 846232190 /nfs/dbraw/zinc/23/21/90/846232190.db2.gz CRJULWLQENQDME-VIFPVBQESA-N -1 0 355.372 -0.069 20 0 FBADRM CCOC(=O)C[C@H](O)CN1CCN(CCCCS(=O)(=O)[O-])CC1 ZINC001253799687 846234193 /nfs/dbraw/zinc/23/41/93/846234193.db2.gz KFNLMWABBUXKDU-ZDUSSCGKSA-N -1 0 352.453 -0.414 20 0 FBADRM COc1cccc(OC[C@H](O)CN[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1 ZINC001253971538 846241090 /nfs/dbraw/zinc/24/10/90/846241090.db2.gz BGWOFWRPZBOVTB-CWSCBRNRSA-N -1 0 360.388 -0.573 20 0 FBADRM COc1cccc(OC[C@@H](O)CN[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1 ZINC001253971539 846241135 /nfs/dbraw/zinc/24/11/35/846241135.db2.gz BGWOFWRPZBOVTB-KWBADKCTSA-N -1 0 360.388 -0.573 20 0 FBADRM COC(=O)C(C)(C)c1cn(CCOCCOCCOCC(=O)[O-])nn1 ZINC001254083488 846247093 /nfs/dbraw/zinc/24/70/93/846247093.db2.gz DINFJTUPGKAWNJ-UHFFFAOYSA-N -1 0 359.379 -0.137 20 0 FBADRM CCOC(=O)CCc1cn(CCOCCOCCOCC(=O)[O-])nn1 ZINC001254083718 846246350 /nfs/dbraw/zinc/24/63/50/846246350.db2.gz QKUFIWCLCIUCTM-UHFFFAOYSA-N -1 0 359.379 -0.092 20 0 FBADRM O=C([O-])COCCOCCOCCn1cc(CN2CCOCC2)nn1 ZINC001254083876 846246280 /nfs/dbraw/zinc/24/62/80/846246280.db2.gz VOHLSXULASVSGH-UHFFFAOYSA-N -1 0 358.395 -0.755 20 0 FBADRM COC(=O)CCCc1cn(CCOCCOCCOCC(=O)[O-])nn1 ZINC001254084530 846246919 /nfs/dbraw/zinc/24/69/19/846246919.db2.gz OCZMASNBIROOMF-UHFFFAOYSA-N -1 0 359.379 -0.092 20 0 FBADRM COCc1cn(CCOCCOCCOCCOCCC(=O)[O-])nn1 ZINC001254085106 846246546 /nfs/dbraw/zinc/24/65/46/846246546.db2.gz WHQUOHXYUGISNY-UHFFFAOYSA-N -1 0 361.395 -0.034 20 0 FBADRM CC(C)c1cn(CCOCCNC(=O)COCCOCC(=O)[O-])nn1 ZINC001254088345 846247039 /nfs/dbraw/zinc/24/70/39/846247039.db2.gz AGCHXVCWAOWTCO-UHFFFAOYSA-N -1 0 358.395 -0.348 20 0 FBADRM CCCc1cn(CCOCCNC(=O)COCCOCC(=O)[O-])nn1 ZINC001254088397 846247011 /nfs/dbraw/zinc/24/70/11/846247011.db2.gz AYMFQPHIOMAWPK-UHFFFAOYSA-N -1 0 358.395 -0.519 20 0 FBADRM CN(C)Cc1cn(CCOCCOCCOCCOCC(=O)[O-])nn1 ZINC001254088529 846246656 /nfs/dbraw/zinc/24/66/56/846246656.db2.gz BIZHNJLTLRWSQG-UHFFFAOYSA-N -1 0 360.411 -0.509 20 0 FBADRM COC(=O)c1cn(CCOCCOCCOCCOCC(=O)[O-])nn1 ZINC001254088802 846246849 /nfs/dbraw/zinc/24/68/49/846246849.db2.gz KRKJKYWLYALQFO-UHFFFAOYSA-N -1 0 361.351 -0.784 20 0 FBADRM O=C([O-])COCCOCC(=O)NCCOCCn1cc(C2CC2)nn1 ZINC001254089081 846246481 /nfs/dbraw/zinc/24/64/81/846246481.db2.gz SORHRZCYUBROCE-UHFFFAOYSA-N -1 0 356.379 -0.594 20 0 FBADRM COCCOCc1cn(CCOCCOCCOCCC(=O)[O-])nn1 ZINC001254089660 846246494 /nfs/dbraw/zinc/24/64/94/846246494.db2.gz KGWFTXXCEUMYJK-UHFFFAOYSA-N -1 0 361.395 -0.034 20 0 FBADRM COC(=O)CCc1cn(CCOCCOCCOCCC(=O)[O-])nn1 ZINC001254089705 846246437 /nfs/dbraw/zinc/24/64/37/846246437.db2.gz MQMKDJKHLQCJEE-UHFFFAOYSA-N -1 0 359.379 -0.092 20 0 FBADRM O=C([O-])c1ccc(-n2cc(CN3CCS(=O)(=O)CC3)nn2)cc1O ZINC001254096086 846246989 /nfs/dbraw/zinc/24/69/89/846246989.db2.gz BYBXXHMIAZKHKF-UHFFFAOYSA-N -1 0 352.372 -0.099 20 0 FBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001254349223 846261584 /nfs/dbraw/zinc/26/15/84/846261584.db2.gz GAIKBRWJTKFSRL-GMTAPVOTSA-N -1 0 353.379 -0.023 20 0 FBADRM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001254349224 846261842 /nfs/dbraw/zinc/26/18/42/846261842.db2.gz GAIKBRWJTKFSRL-OUAUKWLOSA-N -1 0 353.379 -0.023 20 0 FBADRM COc1ccc(C(=O)[N-]S(=O)(=O)C2CCOCC2)cc1-n1cnnn1 ZINC001254429029 846262785 /nfs/dbraw/zinc/26/27/85/846262785.db2.gz NFBPYHYILLAKFT-UHFFFAOYSA-N -1 0 367.387 -0.091 20 0 FBADRM CN1C(=O)N=NC1CNC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001254517933 846268390 /nfs/dbraw/zinc/26/83/90/846268390.db2.gz ROQVNPBMOCSJJL-LLVKDONJSA-N -1 0 350.301 -0.127 20 0 FBADRM CN1C(=O)N=NC1CNC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001254517934 846267794 /nfs/dbraw/zinc/26/77/94/846267794.db2.gz ROQVNPBMOCSJJL-NSHDSACASA-N -1 0 350.301 -0.127 20 0 FBADRM CCOC(=O)c1cc(S(=O)(=O)[N-]c2nn(C)cc2C(N)=O)cn1C ZINC001254792226 846279492 /nfs/dbraw/zinc/27/94/92/846279492.db2.gz AQSPHNUTGJDLTG-UHFFFAOYSA-N -1 0 355.376 -0.165 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cn(CC2(C)COC2)nn1 ZINC001254792755 846279727 /nfs/dbraw/zinc/27/97/27/846279727.db2.gz DWRAINDYYCYNKW-UHFFFAOYSA-N -1 0 360.392 -0.673 20 0 FBADRM Cn1cc(-n2cc(C(=O)[N-]S(=O)(=O)C[C@@H]3CCOC3)ccc2=O)cn1 ZINC001254808299 846279751 /nfs/dbraw/zinc/27/97/51/846279751.db2.gz ULIDALMOGFLSQF-LLVKDONJSA-N -1 0 366.399 -0.333 20 0 FBADRM Cn1cc(-n2cc(C(=O)[N-]S(=O)(=O)C[C@H]3CCOC3)ccc2=O)cn1 ZINC001254808306 846279236 /nfs/dbraw/zinc/27/92/36/846279236.db2.gz ULIDALMOGFLSQF-NSHDSACASA-N -1 0 366.399 -0.333 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1 ZINC001254814977 846279480 /nfs/dbraw/zinc/27/94/80/846279480.db2.gz IYWOJHNUQHSABU-UHFFFAOYSA-N -1 0 371.415 -0.889 20 0 FBADRM O=C(CNC(=O)c1ccc2c(c1)OCO2)[N-]S(=O)(=O)C1CCOCC1 ZINC001254910526 846281674 /nfs/dbraw/zinc/28/16/74/846281674.db2.gz MOGLHBRQTNDCHH-UHFFFAOYSA-N -1 0 370.383 -0.230 20 0 FBADRM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)CNC(C)=O ZINC001254911061 846282304 /nfs/dbraw/zinc/28/23/04/846282304.db2.gz VBHNIYKYJYMWGJ-UHFFFAOYSA-N -1 0 357.388 -0.015 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@H](O)C1CCOCC1 ZINC001254918931 846282473 /nfs/dbraw/zinc/28/24/73/846282473.db2.gz IDMLDAORLLHZHE-SECBINFHSA-N -1 0 350.418 -0.005 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@H](O)C1CCOCC1 ZINC001254918932 846282798 /nfs/dbraw/zinc/28/27/98/846282798.db2.gz IDMLDAORLLHZHE-VIFPVBQESA-N -1 0 350.418 -0.005 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC001254970852 846283329 /nfs/dbraw/zinc/28/33/29/846283329.db2.gz JBLJOGNVRSRRKM-UHFFFAOYSA-N -1 0 368.415 -0.138 20 0 FBADRM CC[C@]1(C(=O)[N-]S(=O)(=O)CC(N)=O)CCN(C(=O)OC(C)(C)C)C1 ZINC001254972144 846283202 /nfs/dbraw/zinc/28/32/02/846283202.db2.gz VPSIOBVMRDBCJF-AWEZNQCLSA-N -1 0 363.436 -0.045 20 0 FBADRM CC[C@@]1(C(=O)[N-]S(=O)(=O)CC(N)=O)CCN(C(=O)OC(C)(C)C)C1 ZINC001254972154 846283623 /nfs/dbraw/zinc/28/36/23/846283623.db2.gz VPSIOBVMRDBCJF-CQSZACIVSA-N -1 0 363.436 -0.045 20 0 FBADRM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O ZINC001254979128 846283634 /nfs/dbraw/zinc/28/36/34/846283634.db2.gz CSNILGIQAJRHPQ-UHFFFAOYSA-N -1 0 362.751 -0.391 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)COC[C@H]1CCCO1 ZINC001254991249 846283591 /nfs/dbraw/zinc/28/35/91/846283591.db2.gz OZNUMRTWOWEMFU-MRVPVSSYSA-N -1 0 364.401 -0.070 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)COC[C@@H]1CCCO1 ZINC001254991250 846283189 /nfs/dbraw/zinc/28/31/89/846283189.db2.gz OZNUMRTWOWEMFU-QMMMGPOBSA-N -1 0 364.401 -0.070 20 0 FBADRM C[C@@](O)(CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)C(=O)[O-] ZINC001255047049 846285364 /nfs/dbraw/zinc/28/53/64/846285364.db2.gz RXDRQJUTBSACET-GFCCVEGCSA-N -1 0 350.418 -0.595 20 0 FBADRM C[C@](O)(CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)C(=O)[O-] ZINC001255047053 846285104 /nfs/dbraw/zinc/28/51/04/846285104.db2.gz RXDRQJUTBSACET-LBPRGKRZSA-N -1 0 350.418 -0.595 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccon2)cn1 ZINC001255070088 846289175 /nfs/dbraw/zinc/28/91/75/846289175.db2.gz ADYHDHLMYMMUOE-UHFFFAOYSA-N -1 0 374.400 -0.420 20 0 FBADRM C[C@H](CN(C)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1nnn[n-]1 ZINC001255148704 846296831 /nfs/dbraw/zinc/29/68/31/846296831.db2.gz OIUJMHDLOKQEOA-PELKAZGASA-N -1 0 351.392 -0.508 20 0 FBADRM C[C@H](CN(C)C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1nnn[n-]1 ZINC001255148708 846296621 /nfs/dbraw/zinc/29/66/21/846296621.db2.gz OIUJMHDLOKQEOA-PRHODGIISA-N -1 0 351.392 -0.508 20 0 FBADRM C[C@@H](CN(C)C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1nnn[n-]1 ZINC001255148709 846296349 /nfs/dbraw/zinc/29/63/49/846296349.db2.gz OIUJMHDLOKQEOA-QPUJVOFHSA-N -1 0 351.392 -0.508 20 0 FBADRM C[C@@H](CN(C)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1nnn[n-]1 ZINC001255148710 846296579 /nfs/dbraw/zinc/29/65/79/846296579.db2.gz OIUJMHDLOKQEOA-UFBFGSQYSA-N -1 0 351.392 -0.508 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@H]1CCN(C)C1=O ZINC001255149231 846296755 /nfs/dbraw/zinc/29/67/55/846296755.db2.gz SJUWREWSAHIUNC-SECBINFHSA-N -1 0 354.388 -0.933 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)C1=O ZINC001255149242 846296554 /nfs/dbraw/zinc/29/65/54/846296554.db2.gz SJUWREWSAHIUNC-VIFPVBQESA-N -1 0 354.388 -0.933 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C2=O)s1 ZINC001255149580 846296897 /nfs/dbraw/zinc/29/68/97/846296897.db2.gz XTTDCKVIKVECNZ-LLVKDONJSA-N -1 0 373.456 -0.290 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C2=O)s1 ZINC001255149581 846296542 /nfs/dbraw/zinc/29/65/42/846296542.db2.gz XTTDCKVIKVECNZ-NSHDSACASA-N -1 0 373.456 -0.290 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2c(OC)cccc2OC)n1 ZINC001255164862 846297238 /nfs/dbraw/zinc/29/72/38/846297238.db2.gz MFAZEGZCNNKMNL-UHFFFAOYSA-N -1 0 355.376 -0.158 20 0 FBADRM NC(=O)Cn1cc([N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)cn1 ZINC001255165288 846297569 /nfs/dbraw/zinc/29/75/69/846297569.db2.gz PIKRGUYPKRBTID-UHFFFAOYSA-N -1 0 352.298 -0.072 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)n1 ZINC001255165564 846297959 /nfs/dbraw/zinc/29/79/59/846297959.db2.gz SYAUZASGSXMGCI-UHFFFAOYSA-N -1 0 367.313 -0.416 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@H](Cn1cc(Cl)cn1)C(=O)[O-] ZINC001255241836 846300165 /nfs/dbraw/zinc/30/01/65/846300165.db2.gz BEYKOMFKUPWZLJ-APPZFPTMSA-N -1 0 353.784 -0.282 20 0 FBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@@H](Cn1cc(Cl)cn1)C(=O)[O-] ZINC001255241844 846299735 /nfs/dbraw/zinc/29/97/35/846299735.db2.gz BEYKOMFKUPWZLJ-CBAPKCEASA-N -1 0 353.784 -0.282 20 0 FBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@H](Cn1cc(Cl)cn1)C(=O)[O-] ZINC001255241845 846300022 /nfs/dbraw/zinc/30/00/22/846300022.db2.gz BEYKOMFKUPWZLJ-IONNQARKSA-N -1 0 353.784 -0.282 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@H](Cn1cc(Cl)cn1)C(=O)[O-] ZINC001255241846 846300012 /nfs/dbraw/zinc/30/00/12/846300012.db2.gz BEYKOMFKUPWZLJ-VXNVDRBHSA-N -1 0 353.784 -0.282 20 0 FBADRM Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3cnc4c(cnn4C)c3)nc2n1 ZINC001255241953 846299704 /nfs/dbraw/zinc/29/97/04/846299704.db2.gz CMMUKSRCBMSAJH-UHFFFAOYSA-N -1 0 360.359 -0.191 20 0 FBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001255249413 846301045 /nfs/dbraw/zinc/30/10/45/846301045.db2.gz GGUVIJKTURYBMK-DAOPMYJZSA-N -1 0 372.424 -0.223 20 0 FBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001255249418 846301283 /nfs/dbraw/zinc/30/12/83/846301283.db2.gz GGUVIJKTURYBMK-MYODQAERSA-N -1 0 372.424 -0.223 20 0 FBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001255249420 846300943 /nfs/dbraw/zinc/30/09/43/846300943.db2.gz GGUVIJKTURYBMK-SFDCACGMSA-N -1 0 372.424 -0.223 20 0 FBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001255249421 846301295 /nfs/dbraw/zinc/30/12/95/846301295.db2.gz GGUVIJKTURYBMK-SPSFWMDKSA-N -1 0 372.424 -0.223 20 0 FBADRM Cn1cnc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)c1Cl ZINC001255249885 846301270 /nfs/dbraw/zinc/30/12/70/846301270.db2.gz JEJIROGNNGROHV-BQBZGAKWSA-N -1 0 350.784 -0.587 20 0 FBADRM Cn1cnc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)c1Cl ZINC001255249889 846301502 /nfs/dbraw/zinc/30/15/02/846301502.db2.gz JEJIROGNNGROHV-NKWVEPMBSA-N -1 0 350.784 -0.587 20 0 FBADRM Cn1cnc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)c1Cl ZINC001255249890 846301475 /nfs/dbraw/zinc/30/14/75/846301475.db2.gz JEJIROGNNGROHV-RNFRBKRXSA-N -1 0 350.784 -0.587 20 0 FBADRM Cn1cnc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)c1Cl ZINC001255249891 846301456 /nfs/dbraw/zinc/30/14/56/846301456.db2.gz JEJIROGNNGROHV-RQJHMYQMSA-N -1 0 350.784 -0.587 20 0 FBADRM COc1ccsc1S(=O)(=O)N[C@H](CN1CCOCC1)C(=O)[O-] ZINC001255250348 846301137 /nfs/dbraw/zinc/30/11/37/846301137.db2.gz MHFAJBULADBWBT-SECBINFHSA-N -1 0 350.418 -0.180 20 0 FBADRM COc1ccsc1S(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)[O-] ZINC001255250349 846301221 /nfs/dbraw/zinc/30/12/21/846301221.db2.gz MHFAJBULADBWBT-VIFPVBQESA-N -1 0 350.418 -0.180 20 0 FBADRM O=C([O-])CCN1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC001255250734 846301570 /nfs/dbraw/zinc/30/15/70/846301570.db2.gz RPAYVLLAFJUIOJ-UHFFFAOYSA-N -1 0 366.403 -0.557 20 0 FBADRM CCn1nc(C)c(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])c1C ZINC001255250975 846301511 /nfs/dbraw/zinc/30/15/11/846301511.db2.gz VXLWIZJRIAETOM-GFCCVEGCSA-N -1 0 360.436 -0.416 20 0 FBADRM CCn1nc(C)c(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])c1C ZINC001255250976 846301306 /nfs/dbraw/zinc/30/13/06/846301306.db2.gz VXLWIZJRIAETOM-LBPRGKRZSA-N -1 0 360.436 -0.416 20 0 FBADRM O=C([O-])CN(CCO)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001255251044 846301530 /nfs/dbraw/zinc/30/15/30/846301530.db2.gz XZHWPULLNPCVQD-UHFFFAOYSA-N -1 0 364.763 -0.262 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC001255255814 846301483 /nfs/dbraw/zinc/30/14/83/846301483.db2.gz OOGKHCAPJDFSJX-UHFFFAOYSA-N -1 0 366.440 -0.670 20 0 FBADRM Cc1ccc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)cc1S(N)(=O)=O ZINC001255622903 846316166 /nfs/dbraw/zinc/31/61/66/846316166.db2.gz AKLMFQRDKOYKON-JTQLQIEISA-N -1 0 357.388 -0.335 20 0 FBADRM Cc1ccc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cc1S(N)(=O)=O ZINC001255622905 846315954 /nfs/dbraw/zinc/31/59/54/846315954.db2.gz AKLMFQRDKOYKON-SNVBAGLBSA-N -1 0 357.388 -0.335 20 0 FBADRM CCc1ccc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)cc1S(N)(=O)=O ZINC001255625604 846315865 /nfs/dbraw/zinc/31/58/65/846315865.db2.gz SNKDZPFZUGJGTP-JTQLQIEISA-N -1 0 371.415 -0.081 20 0 FBADRM CCc1ccc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cc1S(N)(=O)=O ZINC001255625605 846315183 /nfs/dbraw/zinc/31/51/83/846315183.db2.gz SNKDZPFZUGJGTP-SNVBAGLBSA-N -1 0 371.415 -0.081 20 0 FBADRM COCn1nc(C)c(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)c1C ZINC001255657446 846317401 /nfs/dbraw/zinc/31/74/01/846317401.db2.gz ILOQHVXGHJGLRX-UHFFFAOYSA-N -1 0 371.423 -0.416 20 0 FBADRM CCN(c1ccccc1)S(=O)(=O)[N-]C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001255722527 846319292 /nfs/dbraw/zinc/31/92/92/846319292.db2.gz MEMIGKLGILYARY-UHFFFAOYSA-N -1 0 352.372 -0.013 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCN(S(C)(=O)=O)CC2)cn1 ZINC001255722623 846319566 /nfs/dbraw/zinc/31/95/66/846319566.db2.gz ORJUEHICLLPZGL-UHFFFAOYSA-N -1 0 361.445 -0.133 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cn(CC(=O)N(C)C)nn2)cn1 ZINC001255723685 846319399 /nfs/dbraw/zinc/31/93/99/846319399.db2.gz WPVCDRQCZNFYKO-UHFFFAOYSA-N -1 0 352.376 -0.812 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cn1 ZINC001255724034 846319489 /nfs/dbraw/zinc/31/94/89/846319489.db2.gz ZNQLJHOHMLJYNU-HNNXBMFYSA-N -1 0 366.399 -0.085 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cn1 ZINC001255724049 846319143 /nfs/dbraw/zinc/31/91/43/846319143.db2.gz ZNQLJHOHMLJYNU-OAHLLOKOSA-N -1 0 366.399 -0.085 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1nnnn1CC(F)(F)F ZINC001255799896 846320323 /nfs/dbraw/zinc/32/03/23/846320323.db2.gz IMXBOBSPVQXAQE-UHFFFAOYSA-N -1 0 358.240 -0.637 20 0 FBADRM C[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001255801671 846320365 /nfs/dbraw/zinc/32/03/65/846320365.db2.gz REQJKJUMYNZNEH-NHCYSSNCSA-N -1 0 362.429 -0.160 20 0 FBADRM C[C@H](CS(=O)(=O)c1ccccc1)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001255801672 846320088 /nfs/dbraw/zinc/32/00/88/846320088.db2.gz REQJKJUMYNZNEH-SCVCMEIPSA-N -1 0 362.429 -0.160 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC001255814859 846320964 /nfs/dbraw/zinc/32/09/64/846320964.db2.gz FKJYQAPNHVVDRP-UHFFFAOYSA-N -1 0 350.297 -0.356 20 0 FBADRM C[C@H](C(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1)S(=O)(=O)C1CCOCC1 ZINC001255839005 846321540 /nfs/dbraw/zinc/32/15/40/846321540.db2.gz HHQRCASNVXIJQI-MDZLAQPJSA-N -1 0 363.432 -0.035 20 0 FBADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1)S(=O)(=O)C1CCOCC1 ZINC001255839006 846321525 /nfs/dbraw/zinc/32/15/25/846321525.db2.gz HHQRCASNVXIJQI-NQBHXWOUSA-N -1 0 363.432 -0.035 20 0 FBADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1)S(=O)(=O)C1CCOCC1 ZINC001255839007 846321178 /nfs/dbraw/zinc/32/11/78/846321178.db2.gz HHQRCASNVXIJQI-NTZNESFSSA-N -1 0 363.432 -0.035 20 0 FBADRM C[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1)S(=O)(=O)C1CCOCC1 ZINC001255839008 846321022 /nfs/dbraw/zinc/32/10/22/846321022.db2.gz HHQRCASNVXIJQI-WZRBSPASSA-N -1 0 363.432 -0.035 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(N2CCNC2=O)ccc1F ZINC001255853364 846324845 /nfs/dbraw/zinc/32/48/45/846324845.db2.gz JKBAVCDBWMLIJR-UHFFFAOYSA-N -1 0 372.378 -0.449 20 0 FBADRM CO[N-]C(=O)CNC(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC001255994701 846327002 /nfs/dbraw/zinc/32/70/02/846327002.db2.gz JFEDZOXPSHALMQ-UHFFFAOYSA-N -1 0 373.435 -0.911 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC001255994963 846326564 /nfs/dbraw/zinc/32/65/64/846326564.db2.gz NWZGADPAXVKCDV-NEPJUHHUSA-N -1 0 358.395 -0.257 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC001255994964 846326950 /nfs/dbraw/zinc/32/69/50/846326950.db2.gz NWZGADPAXVKCDV-NWDGAFQWSA-N -1 0 358.395 -0.257 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC001255994965 846326608 /nfs/dbraw/zinc/32/66/08/846326608.db2.gz NWZGADPAXVKCDV-RYUDHWBXSA-N -1 0 358.395 -0.257 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC001255994966 846327037 /nfs/dbraw/zinc/32/70/37/846327037.db2.gz NWZGADPAXVKCDV-VXGBXAGGSA-N -1 0 358.395 -0.257 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC001255995013 846327361 /nfs/dbraw/zinc/32/73/61/846327361.db2.gz PCGALEQKHJCZIH-LDYMZIIASA-N -1 0 373.353 -0.185 20 0 FBADRM CO[N-]C(=O)CNC(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC001255995206 846327241 /nfs/dbraw/zinc/32/72/41/846327241.db2.gz QVFXDVKSTSHKBV-UHFFFAOYSA-N -1 0 358.420 -0.408 20 0 FBADRM COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCC(=O)[N-]OC ZINC001255995219 846327304 /nfs/dbraw/zinc/32/73/04/846327304.db2.gz RNFWTJNOEORJKT-LLVKDONJSA-N -1 0 360.411 -0.059 20 0 FBADRM COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCC(=O)[N-]OC ZINC001255995220 846327233 /nfs/dbraw/zinc/32/72/33/846327233.db2.gz RNFWTJNOEORJKT-NSHDSACASA-N -1 0 360.411 -0.059 20 0 FBADRM CCOc1ccnc(N2CCCN(C(=O)NCC(=O)[N-]OC)CC2)n1 ZINC001255995223 846327311 /nfs/dbraw/zinc/32/73/11/846327311.db2.gz ROTKFEBZVNMIMG-UHFFFAOYSA-N -1 0 352.395 -0.225 20 0 FBADRM C[C@H]1[C@H](NS(=O)(=O)c2ccc(F)cc2F)C(=O)N1S(=O)(=O)[O-] ZINC001256094174 846329167 /nfs/dbraw/zinc/32/91/67/846329167.db2.gz CEVWABQXFXHMNB-CDUCUWFYSA-N -1 0 356.328 -0.355 20 0 FBADRM C[C@@H]1CN(C(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)CCS(=O)(=O)C1 ZINC001256148349 846330082 /nfs/dbraw/zinc/33/00/82/846330082.db2.gz GXCLWWUMHPZBNI-NEPJUHHUSA-N -1 0 369.447 -0.163 20 0 FBADRM C[C@H]1CN(C(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)CCS(=O)(=O)C1 ZINC001256148425 846329840 /nfs/dbraw/zinc/32/98/40/846329840.db2.gz GXCLWWUMHPZBNI-NWDGAFQWSA-N -1 0 369.447 -0.163 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@@H](O)CN1CCCC1=O ZINC001256220085 846332044 /nfs/dbraw/zinc/33/20/44/846332044.db2.gz QPKOZKUDXURPCY-KOLCDFICSA-N -1 0 353.341 -0.211 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@H](O)CN1CCCC1=O ZINC001256220086 846332530 /nfs/dbraw/zinc/33/25/30/846332530.db2.gz QPKOZKUDXURPCY-ONGXEEELSA-N -1 0 353.341 -0.211 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CCC(=O)NCc2nc(=O)o[n-]2)CC1 ZINC001256302835 846334742 /nfs/dbraw/zinc/33/47/42/846334742.db2.gz TWKVUZYCUVWESM-UHFFFAOYSA-N -1 0 355.395 -0.078 20 0 FBADRM O=S(=O)([O-])CCCCN1CCN(C2CCS(=O)(=O)CC2)CC1 ZINC001256392681 846339634 /nfs/dbraw/zinc/33/96/34/846339634.db2.gz AUFITNJFGFEPJE-UHFFFAOYSA-N -1 0 354.494 -0.151 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001256408725 846339106 /nfs/dbraw/zinc/33/91/06/846339106.db2.gz LCUGAUNWCONHAE-GHMZBOCLSA-N -1 0 351.446 -0.174 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC001256408726 846339261 /nfs/dbraw/zinc/33/92/61/846339261.db2.gz LCUGAUNWCONHAE-MNOVXSKESA-N -1 0 351.446 -0.174 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC001256408727 846339682 /nfs/dbraw/zinc/33/96/82/846339682.db2.gz LCUGAUNWCONHAE-QWRGUYRKSA-N -1 0 351.446 -0.174 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001256408728 846339542 /nfs/dbraw/zinc/33/95/42/846339542.db2.gz LCUGAUNWCONHAE-WDEREUQCSA-N -1 0 351.446 -0.174 20 0 FBADRM CSCCO[N-]C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC001256419345 846339664 /nfs/dbraw/zinc/33/96/64/846339664.db2.gz RFGNNDFURGEZNS-UHFFFAOYSA-N -1 0 371.419 -0.909 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(CNS(C)(=O)=O)o2)C1=O ZINC001256487330 846341326 /nfs/dbraw/zinc/34/13/26/846341326.db2.gz WEMQGRVURYEIAZ-CYBMUJFWSA-N -1 0 358.376 -0.306 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(CNS(C)(=O)=O)o2)C1=O ZINC001256487333 846341310 /nfs/dbraw/zinc/34/13/10/846341310.db2.gz WEMQGRVURYEIAZ-ZDUSSCGKSA-N -1 0 358.376 -0.306 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1)c1cnn(C)c1 ZINC001256522700 846342229 /nfs/dbraw/zinc/34/22/29/846342229.db2.gz HNTVFVDBHZMPFW-JTQLQIEISA-N -1 0 358.401 -0.227 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1)c1cnn(C)c1 ZINC001256522701 846342207 /nfs/dbraw/zinc/34/22/07/846342207.db2.gz HNTVFVDBHZMPFW-SNVBAGLBSA-N -1 0 358.401 -0.227 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3cnn(C)c3C2)cc1C(N)=O ZINC001256524150 846342059 /nfs/dbraw/zinc/34/20/59/846342059.db2.gz STZHYWCDSGOWMG-SECBINFHSA-N -1 0 365.415 -0.533 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCc3cnn(C)c3C2)cc1C(N)=O ZINC001256524151 846342686 /nfs/dbraw/zinc/34/26/86/846342686.db2.gz STZHYWCDSGOWMG-VIFPVBQESA-N -1 0 365.415 -0.533 20 0 FBADRM CCC(=O)N[C@H](CCSC)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001256603118 846345563 /nfs/dbraw/zinc/34/55/63/846345563.db2.gz GIUBWGZFEGJOCF-SECBINFHSA-N -1 0 353.466 -0.784 20 0 FBADRM CCC(=O)N[C@@H](CCSC)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001256603119 846345016 /nfs/dbraw/zinc/34/50/16/846345016.db2.gz GIUBWGZFEGJOCF-VIFPVBQESA-N -1 0 353.466 -0.784 20 0 FBADRM Cn1cc(-c2nn(C)cc2C(=O)NCCC(=O)[N-]S(C)(=O)=O)cn1 ZINC001256603756 846345061 /nfs/dbraw/zinc/34/50/61/846345061.db2.gz KTHUVJYVCLWZFT-UHFFFAOYSA-N -1 0 354.392 -0.984 20 0 FBADRM COCCOC1CCC(C(=O)NCCC(=O)[N-]S(C)(=O)=O)CC1 ZINC001256603760 846346299 /nfs/dbraw/zinc/34/62/99/846346299.db2.gz KWYCWWPXENLUHS-UHFFFAOYSA-N -1 0 350.437 -0.210 20 0 FBADRM CS(=O)(=O)Cc1cccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC001256609451 846346582 /nfs/dbraw/zinc/34/65/82/846346582.db2.gz HORPLZYPGZFLNQ-UHFFFAOYSA-N -1 0 362.429 -0.573 20 0 FBADRM CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)[N-]OCCSC)c1 ZINC001256610523 846346167 /nfs/dbraw/zinc/34/61/67/846346167.db2.gz QESVKBPPCDSWHP-UHFFFAOYSA-N -1 0 368.415 -0.488 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)C1C[C@@H]2COC[C@H](C1)C2=O ZINC001256696796 846348652 /nfs/dbraw/zinc/34/86/52/846348652.db2.gz KAVZWCYFTKUSTR-FGWVZKOKSA-N -1 0 353.400 -0.124 20 0 FBADRM O=C(CCCN1C(=O)CCC1=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC001256698324 846348237 /nfs/dbraw/zinc/34/82/37/846348237.db2.gz YTWKBYZCAKWFHP-UHFFFAOYSA-N -1 0 354.388 -0.437 20 0 FBADRM CN1CC(=O)N(CCCC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)C1=O ZINC001256738948 846349089 /nfs/dbraw/zinc/34/90/89/846349089.db2.gz JLIBZDVBFXDHJB-JTQLQIEISA-N -1 0 350.379 -0.110 20 0 FBADRM CN1CC(=O)N(CCCC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)C1=O ZINC001256738949 846349270 /nfs/dbraw/zinc/34/92/70/846349270.db2.gz JLIBZDVBFXDHJB-SNVBAGLBSA-N -1 0 350.379 -0.110 20 0 FBADRM CS(=O)(=O)N1CCC(CNC(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001256741917 846349356 /nfs/dbraw/zinc/34/93/56/846349356.db2.gz WUPXSUWCRWNRDJ-UHFFFAOYSA-N -1 0 353.404 -0.576 20 0 FBADRM NS(=O)(=O)c1ccc(CNC(=O)c2c[n-]n3c2nccc3=O)s1 ZINC001256792537 846351071 /nfs/dbraw/zinc/35/10/71/846351071.db2.gz QSCMAVIEUIJQJE-UHFFFAOYSA-N -1 0 353.385 -0.339 20 0 FBADRM CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001256802650 846352482 /nfs/dbraw/zinc/35/24/82/846352482.db2.gz HDRFIRFTLXSZTE-LLVKDONJSA-N -1 0 367.431 -0.043 20 0 FBADRM CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001256802651 846352280 /nfs/dbraw/zinc/35/22/80/846352280.db2.gz HDRFIRFTLXSZTE-NSHDSACASA-N -1 0 367.431 -0.043 20 0 FBADRM CS(=O)(=O)c1ccccc1CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001256943295 846356866 /nfs/dbraw/zinc/35/68/66/846356866.db2.gz CWKSXTWGNDXTQR-LLVKDONJSA-N -1 0 351.388 -0.254 20 0 FBADRM CS(=O)(=O)c1ccccc1CC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001256943297 846356343 /nfs/dbraw/zinc/35/63/43/846356343.db2.gz CWKSXTWGNDXTQR-NSHDSACASA-N -1 0 351.388 -0.254 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC001256949004 846356439 /nfs/dbraw/zinc/35/64/39/846356439.db2.gz PLJDEYIPIQYCBK-UHFFFAOYSA-N -1 0 359.404 -0.241 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC001257117675 846362747 /nfs/dbraw/zinc/36/27/47/846362747.db2.gz CCRXZMJHVXTUNJ-UHFFFAOYSA-N -1 0 364.807 -0.076 20 0 FBADRM Cn1cc(S(=O)(=O)NCC2(O)CCS(=O)(=O)CC2)nc1Cl ZINC001257221288 846367403 /nfs/dbraw/zinc/36/74/03/846367403.db2.gz RGXLODQFEKNECG-UHFFFAOYSA-N -1 0 357.841 -0.709 20 0 FBADRM COc1cc(CNC(=O)C(=O)[N-]OCC(C)C)ccc1OCC(N)=O ZINC001257240521 846369772 /nfs/dbraw/zinc/36/97/72/846369772.db2.gz CRSNZVBUAXMIGC-UHFFFAOYSA-N -1 0 353.375 -0.121 20 0 FBADRM CN(C(=O)N[C@H](Cn1cc(Cl)cn1)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001257261942 846370397 /nfs/dbraw/zinc/37/03/97/846370397.db2.gz RIQYOTKHYHTMFX-NXEZZACHSA-N -1 0 364.811 -0.182 20 0 FBADRM CN(C(=O)N[C@@H](Cn1cc(Cl)cn1)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001257261974 846370636 /nfs/dbraw/zinc/37/06/36/846370636.db2.gz RIQYOTKHYHTMFX-UWVGGRQHSA-N -1 0 364.811 -0.182 20 0 FBADRM CN(C(=O)N[C@H](Cn1cc(Cl)cn1)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001257261978 846370748 /nfs/dbraw/zinc/37/07/48/846370748.db2.gz RIQYOTKHYHTMFX-VHSXEESVSA-N -1 0 364.811 -0.182 20 0 FBADRM CN(C(=O)N[C@@H](Cn1cc(Cl)cn1)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001257261980 846370799 /nfs/dbraw/zinc/37/07/99/846370799.db2.gz RIQYOTKHYHTMFX-ZJUUUORDSA-N -1 0 364.811 -0.182 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC001257287901 846371194 /nfs/dbraw/zinc/37/11/94/846371194.db2.gz XMTWXQQVPLJVAB-CYBMUJFWSA-N -1 0 368.415 -0.845 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC001257287902 846371448 /nfs/dbraw/zinc/37/14/48/846371448.db2.gz XMTWXQQVPLJVAB-ZDUSSCGKSA-N -1 0 368.415 -0.845 20 0 FBADRM O=C([N-]OC1CCOCC1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC001257378303 846376146 /nfs/dbraw/zinc/37/61/46/846376146.db2.gz RMTOXKWMRVGIFG-INIZCTEOSA-N -1 0 373.475 -0.463 20 0 FBADRM O=C([N-]OC1CCOCC1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC001257378304 846376027 /nfs/dbraw/zinc/37/60/27/846376027.db2.gz RMTOXKWMRVGIFG-MRXNPFEDSA-N -1 0 373.475 -0.463 20 0 FBADRM CC(=O)N1CCc2ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc2CC1 ZINC001257398942 846375894 /nfs/dbraw/zinc/37/58/94/846375894.db2.gz JAIVCAPUHGKBJE-AWEZNQCLSA-N -1 0 356.400 -0.643 20 0 FBADRM COCCNC(=O)c1cccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c1 ZINC001257426933 846376765 /nfs/dbraw/zinc/37/67/65/846376765.db2.gz AWDFMCDTYZORII-UHFFFAOYSA-N -1 0 370.387 -0.850 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001257449258 846377968 /nfs/dbraw/zinc/37/79/68/846377968.db2.gz ANROZUHAUGSEOI-JTQLQIEISA-N -1 0 369.399 -0.533 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001257449259 846377886 /nfs/dbraw/zinc/37/78/86/846377886.db2.gz ANROZUHAUGSEOI-SNVBAGLBSA-N -1 0 369.399 -0.533 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)CN(C)C(=O)C1CC1 ZINC001257450314 846377916 /nfs/dbraw/zinc/37/79/16/846377916.db2.gz UDJWZKUYRRJJNS-UHFFFAOYSA-N -1 0 369.399 -0.533 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)[N-]OCc2ccccc2)C1 ZINC001257464337 846378982 /nfs/dbraw/zinc/37/89/82/846378982.db2.gz LEJRXVGTTPGCPU-CYBMUJFWSA-N -1 0 355.416 -0.225 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)[N-]OCc2ccccc2)C1 ZINC001257464338 846379285 /nfs/dbraw/zinc/37/92/85/846379285.db2.gz LEJRXVGTTPGCPU-ZDUSSCGKSA-N -1 0 355.416 -0.225 20 0 FBADRM O=C([N-]OC1CCOCC1)C(=O)NCCS(=O)(=O)Cc1ccccc1 ZINC001257465583 846379008 /nfs/dbraw/zinc/37/90/08/846379008.db2.gz SLSXFMLOAHJILB-UHFFFAOYSA-N -1 0 370.427 -0.056 20 0 FBADRM Cc1c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nnn1Cc1ccncc1 ZINC001257472557 846379079 /nfs/dbraw/zinc/37/90/79/846379079.db2.gz LMXQSOSRCVLDTP-UHFFFAOYSA-N -1 0 366.403 -0.774 20 0 FBADRM CN(C[C@H]1CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1)S(C)(=O)=O ZINC001257785058 846388794 /nfs/dbraw/zinc/38/87/94/846388794.db2.gz OYGGBIUJQAPSSC-SECBINFHSA-N -1 0 363.465 -0.268 20 0 FBADRM CN(C[C@@H]1CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1)S(C)(=O)=O ZINC001257785059 846388418 /nfs/dbraw/zinc/38/84/18/846388418.db2.gz OYGGBIUJQAPSSC-VIFPVBQESA-N -1 0 363.465 -0.268 20 0 FBADRM COC(=O)CCS(=O)(=O)CC[C@@H](C)N[C@@H](CCC(=O)[O-])C(=O)OC ZINC001257919160 846390691 /nfs/dbraw/zinc/39/06/91/846390691.db2.gz KJWBVGHOSAUHCJ-MNOVXSKESA-N -1 0 367.420 -0.261 20 0 FBADRM COC(=O)CCS(=O)(=O)CC[C@H](C)N[C@@H](CCC(=O)[O-])C(=O)OC ZINC001257919162 846390704 /nfs/dbraw/zinc/39/07/04/846390704.db2.gz KJWBVGHOSAUHCJ-QWRGUYRKSA-N -1 0 367.420 -0.261 20 0 FBADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C(=O)NCCn1cncn1 ZINC001258140627 846398134 /nfs/dbraw/zinc/39/81/34/846398134.db2.gz ZYZRPGJMGJGILG-UHFFFAOYSA-N -1 0 361.387 -0.237 20 0 FBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001258452682 846419318 /nfs/dbraw/zinc/41/93/18/846419318.db2.gz NQSZVQBAXINCHQ-WDSKDSINSA-N -1 0 372.812 -0.938 20 0 FBADRM Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001258928496 846423590 /nfs/dbraw/zinc/42/35/90/846423590.db2.gz PSODDMRGWCNXGN-XVKPBYJWSA-N -1 0 352.365 -0.185 20 0 FBADRM COC(=O)[C@@H](CC(N)=O)[N-]S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C ZINC001258990781 846424457 /nfs/dbraw/zinc/42/44/57/846424457.db2.gz RMMYPFNKRYELGY-IQMDTDKHSA-N -1 0 360.432 -0.282 20 0 FBADRM CCOC(=O)c1snc(C(N)=O)c1[N-]S(=O)(=O)c1cn(C)cn1 ZINC001258992668 846424412 /nfs/dbraw/zinc/42/44/12/846424412.db2.gz GCVSLNYQJGLESA-UHFFFAOYSA-N -1 0 359.389 -0.047 20 0 FBADRM CCOC(=O)Cn1cnc2c1ncnc2[N-]S(=O)(=O)c1cn(C)cn1 ZINC001258993185 846424541 /nfs/dbraw/zinc/42/45/41/846424541.db2.gz MXZZIIXNZYXIPW-UHFFFAOYSA-N -1 0 365.375 -0.076 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]c2ncc(Br)nc2C(N)=O)c1 ZINC001258993331 846424886 /nfs/dbraw/zinc/42/48/86/846424886.db2.gz PSYKZFCRETUIKH-UHFFFAOYSA-N -1 0 361.181 -0.128 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]c2c(C(N)=O)cnn2C2CCOCC2)c1 ZINC001258993504 846424394 /nfs/dbraw/zinc/42/43/94/846424394.db2.gz VHAQNWHKGSMFNO-UHFFFAOYSA-N -1 0 354.392 -0.132 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]c2cc(N3CCN(CCO)CC3)ncn2)c1 ZINC001258993519 846424638 /nfs/dbraw/zinc/42/46/38/846424638.db2.gz WHCJVMFDOKDORM-UHFFFAOYSA-N -1 0 367.435 -0.875 20 0 FBADRM Cn1cnc(S(=O)(=O)N2CCN(CCCCS(=O)(=O)[O-])CC2)c1 ZINC001258997852 846425960 /nfs/dbraw/zinc/42/59/60/846425960.db2.gz WVPVXHZSURNUCG-UHFFFAOYSA-N -1 0 366.465 -0.606 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC[N-]C(=O)C(F)(F)Br)c1 ZINC001259004431 846425584 /nfs/dbraw/zinc/42/55/84/846425584.db2.gz GNCAIYCBSHYTND-UHFFFAOYSA-N -1 0 361.168 -0.198 20 0 FBADRM COC(=O)c1sccc1S(=O)(=O)Nc1c([S-])[nH]c(=O)[nH]c1=O ZINC001259016641 846426876 /nfs/dbraw/zinc/42/68/76/846426876.db2.gz XYDOFKNPOHAZBU-RXMQYKEDSA-N -1 0 363.398 -0.652 20 0 FBADRM COC(=O)c1sccc1S(=O)(=O)Nc1c([S-])[nH]c(=O)[nH]c1=O ZINC001259016646 846426699 /nfs/dbraw/zinc/42/66/99/846426699.db2.gz XYDOFKNPOHAZBU-YFKPBYRVSA-N -1 0 363.398 -0.652 20 0 FBADRM COC(=O)CS(=O)(=O)[N-][C@@H](CNC(=O)OC(C)(C)C)C(=O)OC ZINC001259016899 846426846 /nfs/dbraw/zinc/42/68/46/846426846.db2.gz AHTGXRDNLIQRHG-QMMMGPOBSA-N -1 0 354.381 -0.855 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]c1cnc(I)cn1 ZINC001259017762 842113011 /nfs/dbraw/zinc/11/30/11/842113011.db2.gz AKKZJTAKRBSXKH-UHFFFAOYSA-N -1 0 357.129 -0.004 20 0 FBADRM CCOC(=O)c1snc(C(N)=O)c1[N-]S(=O)(=O)CC(=O)OC ZINC001259018061 846426796 /nfs/dbraw/zinc/42/67/96/846426796.db2.gz RHZKEBFAMAMXNA-UHFFFAOYSA-N -1 0 351.362 -0.667 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]c1ncc(Br)nc1C(=O)OC ZINC001259018132 846427045 /nfs/dbraw/zinc/42/70/45/846427045.db2.gz VGHPEBFQAOOAJJ-UHFFFAOYSA-N -1 0 368.165 -0.060 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]c1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](C)O1 ZINC001259018360 846426488 /nfs/dbraw/zinc/42/64/88/846426488.db2.gz HQGRWISAGUNEPL-HRDYMLBCSA-N -1 0 371.375 -0.591 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]c1ncc(C(=O)OC)nc1Br ZINC001259018572 846426534 /nfs/dbraw/zinc/42/65/34/846426534.db2.gz BTJJDTGIZVAEII-UHFFFAOYSA-N -1 0 368.165 -0.060 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]c1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1 ZINC001259018759 846426915 /nfs/dbraw/zinc/42/69/15/846426915.db2.gz GLABRNRJTXDRQV-DTWKUNHWSA-N -1 0 371.375 -0.589 20 0 FBADRM CCOC(=O)Cn1cnc2c1ncnc2[N-]S(=O)(=O)CC(=O)OC ZINC001259018789 846426655 /nfs/dbraw/zinc/42/66/55/846426655.db2.gz HWPWQRDXPXTCCE-UHFFFAOYSA-N -1 0 357.348 -0.696 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]c1cncnc1I ZINC001259018793 846426551 /nfs/dbraw/zinc/42/65/51/846426551.db2.gz HXSFEXCHWTVFFB-UHFFFAOYSA-N -1 0 357.129 -0.004 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]c1cnccc1N1CCN(C(C)=O)CC1 ZINC001259018874 846426621 /nfs/dbraw/zinc/42/66/21/846426621.db2.gz XJHTXNKQHHSSLM-UHFFFAOYSA-N -1 0 356.404 -0.335 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]c1c(S(C)(=O)=O)csc1C(=O)OC ZINC001259018957 846426505 /nfs/dbraw/zinc/42/65/05/846426505.db2.gz MKCUHZGMIAVZMN-UHFFFAOYSA-N -1 0 371.414 -0.147 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]c1ncc(Br)nc1C(N)=O ZINC001259018977 846426995 /nfs/dbraw/zinc/42/69/95/846426995.db2.gz NLMUBYKPNAAZNC-UHFFFAOYSA-N -1 0 353.154 -0.747 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]c1ncnc2c1ncn2[C@H]1C=C[C@@H](CO)O1 ZINC001259018986 846427018 /nfs/dbraw/zinc/42/70/18/846427018.db2.gz OAOAGNZZHJQTCA-DTWKUNHWSA-N -1 0 369.359 -0.813 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]c1ncc(Br)cc1C(N)=O ZINC001259019104 846426640 /nfs/dbraw/zinc/42/66/40/846426640.db2.gz TYQKFRDLBRJQNP-UHFFFAOYSA-N -1 0 352.166 -0.142 20 0 FBADRM CCOC(=O)c1cnn(-c2ncccn2)c1[N-]S(=O)(=O)CC(=O)OC ZINC001259019187 846426937 /nfs/dbraw/zinc/42/69/37/846426937.db2.gz XLOKQPKGVPJWDO-UHFFFAOYSA-N -1 0 369.359 -0.246 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]c1c(F)c(OC)c(OC)cc1C(N)=O ZINC001259024430 846430204 /nfs/dbraw/zinc/43/02/04/846430204.db2.gz QGYWTGIWAMHRKT-UHFFFAOYSA-N -1 0 350.324 -0.144 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]c1ccc(S(C)(=O)=O)cc1C(=O)OC ZINC001259025798 846431179 /nfs/dbraw/zinc/43/11/79/846431179.db2.gz AWKJMUMCZGFUQB-UHFFFAOYSA-N -1 0 365.385 -0.209 20 0 FBADRM COC(=O)CS(=O)(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1 ZINC001259026920 846431842 /nfs/dbraw/zinc/43/18/42/846431842.db2.gz XGAUEXIHWHUYLR-UHFFFAOYSA-N -1 0 364.401 -0.780 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]c1ccc(S(=O)(=O)CCCO)cc1 ZINC001259026967 846431462 /nfs/dbraw/zinc/43/14/62/846431462.db2.gz ZVROEFPMKSVYKF-UHFFFAOYSA-N -1 0 351.402 -0.243 20 0 FBADRM COC(=O)CS(=O)(=O)[N-][C@@]1(C(=O)OC)CCN(Cc2ccccc2)C1 ZINC001259030341 846431629 /nfs/dbraw/zinc/43/16/29/846431629.db2.gz VNFDEERSYPAXMP-INIZCTEOSA-N -1 0 370.427 -0.104 20 0 FBADRM COC(=O)CS(=O)(=O)[N-][C@]1(C(=O)OC)CCN(Cc2ccccc2)C1 ZINC001259030342 846431582 /nfs/dbraw/zinc/43/15/82/846431582.db2.gz VNFDEERSYPAXMP-MRXNPFEDSA-N -1 0 370.427 -0.104 20 0 FBADRM COC(=O)CS(=O)(=O)[N-]c1cc(=O)n(C)c(=O)n1Cc1ccccc1 ZINC001259031986 846432498 /nfs/dbraw/zinc/43/24/98/846432498.db2.gz HREMMNHIXDLVLT-UHFFFAOYSA-N -1 0 367.383 -0.490 20 0 FBADRM COC(=O)CS(=O)(=O)[N-][C@@H](Cc1ccc(Cl)cn1)C(=O)OC ZINC001259033607 846432472 /nfs/dbraw/zinc/43/24/72/846432472.db2.gz SVPCDHTVWUJMAJ-JTQLQIEISA-N -1 0 350.780 -0.089 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nccnc2C(N)=O)cc1 ZINC001259139832 846434097 /nfs/dbraw/zinc/43/40/97/846434097.db2.gz AHSKVOKZGSMTMP-UHFFFAOYSA-N -1 0 356.385 -0.220 20 0 FBADRM Cn1ncc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1C(N)=O ZINC001259140200 846433548 /nfs/dbraw/zinc/43/35/48/846433548.db2.gz QUONWVHTNGCSDE-UHFFFAOYSA-N -1 0 358.401 -0.277 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnc(C(N)=O)cn2)cc1 ZINC001259140316 846433965 /nfs/dbraw/zinc/43/39/65/846433965.db2.gz NRELBXMIUFERJP-UHFFFAOYSA-N -1 0 356.385 -0.220 20 0 FBADRM Cn1ncc(C(N)=O)c1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC001259140517 846434139 /nfs/dbraw/zinc/43/41/39/846434139.db2.gz VKVKGZFUUVELSY-UHFFFAOYSA-N -1 0 358.401 -0.277 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccnc(C(N)=O)c2)cc1 ZINC001259140652 846433914 /nfs/dbraw/zinc/43/39/14/846433914.db2.gz GMFXUAOUDLQHRG-UHFFFAOYSA-N -1 0 355.397 -0.193 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnc(C(N)=O)nc2)cc1 ZINC001259140758 846433632 /nfs/dbraw/zinc/43/36/32/846433632.db2.gz MBPHUESRLUAKSG-UHFFFAOYSA-N -1 0 356.385 -0.220 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC001259147236 846433623 /nfs/dbraw/zinc/43/36/23/846433623.db2.gz FSSRKQNWISYEMO-SECBINFHSA-N -1 0 350.399 -0.323 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2SC(=O)[N-]C2=O)cc1 ZINC001259147237 846433663 /nfs/dbraw/zinc/43/36/63/846433663.db2.gz FSSRKQNWISYEMO-VIFPVBQESA-N -1 0 350.399 -0.323 20 0 FBADRM COc1cccc(S(=O)(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1 ZINC001259192423 846435742 /nfs/dbraw/zinc/43/57/42/846435742.db2.gz ITJDLZMNTBQQHS-XVKPBYJWSA-N -1 0 350.374 -0.624 20 0 FBADRM COc1cc(C)ccc1S(=O)(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001259207719 846435837 /nfs/dbraw/zinc/43/58/37/846435837.db2.gz GFOMODCNIJNGNI-KWQFWETISA-N -1 0 364.401 -0.316 20 0 FBADRM COC(=O)[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259221361 846435781 /nfs/dbraw/zinc/43/57/81/846435781.db2.gz CXQRCKSGKGZALB-MRVPVSSYSA-N -1 0 355.727 -0.011 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NC(CO)(CO)CO)c(F)cc1Cl ZINC001259222141 846436030 /nfs/dbraw/zinc/43/60/30/846436030.db2.gz JUGRWNYQCLJLEC-UHFFFAOYSA-N -1 0 357.743 -0.829 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CNC(=O)CO2)c(F)cc1Cl ZINC001259222864 846435772 /nfs/dbraw/zinc/43/57/72/846435772.db2.gz HQHPPLAHZLDIMY-LURJTMIESA-N -1 0 366.754 -0.029 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CNC(=O)CO2)c(F)cc1Cl ZINC001259222865 846435664 /nfs/dbraw/zinc/43/56/64/846435664.db2.gz HQHPPLAHZLDIMY-ZCFIWIBFSA-N -1 0 366.754 -0.029 20 0 FBADRM NC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(N)=O ZINC001259225684 846435551 /nfs/dbraw/zinc/43/55/51/846435551.db2.gz BTVLIEODBJBGIW-ZETCQYMHSA-N -1 0 367.742 -0.815 20 0 FBADRM NC(=O)CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259226481 846435758 /nfs/dbraw/zinc/43/57/58/846435758.db2.gz UURLCCCQLFHHNR-UHFFFAOYSA-N -1 0 367.742 -0.943 20 0 FBADRM C[C@H]1[C@H](NS(=O)(=O)Cc2ccc(F)cc2)C(=O)N1S(=O)(=O)[O-] ZINC001259255321 846435972 /nfs/dbraw/zinc/43/59/72/846435972.db2.gz BPJFGRJNJTVQLT-XVKPBYJWSA-N -1 0 352.365 -0.353 20 0 FBADRM O=S(=O)([N-]c1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1)C1CC1 ZINC001259270289 846436064 /nfs/dbraw/zinc/43/60/64/846436064.db2.gz HRALHZVVBOBHLA-IVZWLZJFSA-N -1 0 355.376 -0.629 20 0 FBADRM COC(=O)[C@H](O)CCn1cnc2c1ncnc2[N-]S(=O)(=O)C1CC1 ZINC001259270616 846435509 /nfs/dbraw/zinc/43/55/09/846435509.db2.gz BGOMWWQFFGXURV-SECBINFHSA-N -1 0 355.376 -0.346 20 0 FBADRM COC(=O)[C@@H](O)CCn1cnc2c1ncnc2[N-]S(=O)(=O)C1CC1 ZINC001259270617 846435484 /nfs/dbraw/zinc/43/54/84/846435484.db2.gz BGOMWWQFFGXURV-VIFPVBQESA-N -1 0 355.376 -0.346 20 0 FBADRM O=S(=O)([N-]c1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O)C1CC1 ZINC001259270702 846435864 /nfs/dbraw/zinc/43/58/64/846435864.db2.gz GPNINABZMKLUBB-WIMUKIRHSA-N -1 0 355.376 -0.629 20 0 FBADRM O=S(=O)([N-]c1cc(N2CCN(CCO)CC2)ncn1)c1ccccn1 ZINC001259281761 846436772 /nfs/dbraw/zinc/43/67/72/846436772.db2.gz GMFRGNLKRZHWPP-UHFFFAOYSA-N -1 0 364.431 -0.213 20 0 FBADRM COc1ccccc1S(=O)(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001259302900 846436943 /nfs/dbraw/zinc/43/69/43/846436943.db2.gz UAWXNDYZMRDAAV-XVKPBYJWSA-N -1 0 350.374 -0.624 20 0 FBADRM C[C@H]1[C@H](NS(=O)(=O)c2cc(F)cc(F)c2)C(=O)N1S(=O)(=O)[O-] ZINC001259313756 846436950 /nfs/dbraw/zinc/43/69/50/846436950.db2.gz PIRRTNAEXNIWDK-CDUCUWFYSA-N -1 0 356.328 -0.355 20 0 FBADRM Cc1ccc(S(=O)(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1F ZINC001259481551 846438703 /nfs/dbraw/zinc/43/87/03/846438703.db2.gz FHGPGMKLKIOCAJ-XVKPBYJWSA-N -1 0 352.365 -0.185 20 0 FBADRM Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001259491835 846438764 /nfs/dbraw/zinc/43/87/64/846438764.db2.gz PJCVRCDSVXUJBA-XVKPBYJWSA-N -1 0 352.365 -0.185 20 0 FBADRM O=S(=O)([N-]c1cc(N2CCN(CCO)CC2)ncn1)c1cccnc1 ZINC001259602877 846439920 /nfs/dbraw/zinc/43/99/20/846439920.db2.gz WIPADFITHSBFNA-UHFFFAOYSA-N -1 0 364.431 -0.213 20 0 FBADRM O=S(=O)([N-]c1nnco1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001259624071 846439567 /nfs/dbraw/zinc/43/95/67/846439567.db2.gz PJQRZWBNEXRZAO-UHFFFAOYSA-N -1 0 374.400 -0.109 20 0 FBADRM Cc1ccc(F)c(S(=O)(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1 ZINC001259639408 846439615 /nfs/dbraw/zinc/43/96/15/846439615.db2.gz UAIYHVDIXVYYJD-XVKPBYJWSA-N -1 0 352.365 -0.185 20 0 FBADRM CCOC(=O)c1snc(C(N)=O)c1[N-]S(=O)(=O)c1cnn(C)c1 ZINC001259820285 846441891 /nfs/dbraw/zinc/44/18/91/846441891.db2.gz JXUPDGMXAPTETR-UHFFFAOYSA-N -1 0 359.389 -0.047 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2ncc(Br)nc2C(N)=O)cn1 ZINC001259820585 846441419 /nfs/dbraw/zinc/44/14/19/846441419.db2.gz FAQJJYXBNCPWMZ-UHFFFAOYSA-N -1 0 361.181 -0.128 20 0 FBADRM CCOC(=O)Cn1cnc2c1ncnc2[N-]S(=O)(=O)c1cnn(C)c1 ZINC001259820597 846441904 /nfs/dbraw/zinc/44/19/04/846441904.db2.gz FLOJKONCFMZHHK-UHFFFAOYSA-N -1 0 365.375 -0.076 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2c(C(N)=O)cnn2C2CCOCC2)cn1 ZINC001259820888 846441677 /nfs/dbraw/zinc/44/16/77/846441677.db2.gz VTIHGNUNFXVEFT-UHFFFAOYSA-N -1 0 354.392 -0.132 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2cc(N3CCN(CCO)CC3)ncn2)cn1 ZINC001259820951 846441621 /nfs/dbraw/zinc/44/16/21/846441621.db2.gz YLYSVBCDVAHZON-UHFFFAOYSA-N -1 0 367.435 -0.875 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCN(CCCCS(=O)(=O)[O-])CC2)cn1 ZINC001259824934 846442851 /nfs/dbraw/zinc/44/28/51/846442851.db2.gz FWXBKDTULJOYHO-UHFFFAOYSA-N -1 0 366.465 -0.606 20 0 FBADRM Cn1cc(S(=O)(=O)NCC[N-]C(=O)C(F)(F)Br)cn1 ZINC001259831756 846442727 /nfs/dbraw/zinc/44/27/27/846442727.db2.gz SITGLGOLDUTXMY-UHFFFAOYSA-N -1 0 361.168 -0.198 20 0 FBADRM C[C@H]1[C@H](NS(=O)(=O)c2ccc3c(c2)OCO3)C(=O)N1S(=O)(=O)[O-] ZINC001259851731 846443979 /nfs/dbraw/zinc/44/39/79/846443979.db2.gz DHFDCJFKPKBFHO-WKEGUHRASA-N -1 0 364.357 -0.904 20 0 FBADRM C[C@H]1[C@H](NS(=O)(=O)c2ccc3c(c2)CCC3)C(=O)N1S(=O)(=O)[O-] ZINC001259862747 846443867 /nfs/dbraw/zinc/44/38/67/846443867.db2.gz LYCDQWSDNDWZCI-UFBFGSQYSA-N -1 0 360.413 -0.144 20 0 FBADRM CC(C)CS(=O)(=O)[N-]c1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O ZINC001259878056 846443830 /nfs/dbraw/zinc/44/38/30/846443830.db2.gz CKPOZLNPJZDONF-IMSIIYSGSA-N -1 0 371.419 -0.135 20 0 FBADRM CC(C)CS(=O)(=O)[N-]c1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC001259878882 846443632 /nfs/dbraw/zinc/44/36/32/846443632.db2.gz WGFSJQLGCLAJGZ-HBNTYKKESA-N -1 0 371.419 -0.135 20 0 FBADRM COc1ccc(CS(=O)(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1 ZINC001259904029 846445023 /nfs/dbraw/zinc/44/50/23/846445023.db2.gz PAPVVDBGZDPZKJ-KWQFWETISA-N -1 0 364.401 -0.483 20 0 FBADRM O=S(=O)([N-]c1cc(N2CCN(CCO)CC2)ncn1)C1CCOCC1 ZINC001259908328 846444724 /nfs/dbraw/zinc/44/47/24/846444724.db2.gz ILJHCIWOSGAARJ-UHFFFAOYSA-N -1 0 371.463 -0.488 20 0 FBADRM O=S(=O)([O-])CCCCN1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC001259912813 846446476 /nfs/dbraw/zinc/44/64/76/846446476.db2.gz KWIWQWNYXYOXGX-UHFFFAOYSA-N -1 0 370.493 -0.219 20 0 FBADRM NC(=O)[N-]S(=O)(=O)c1ccc(NS(=O)(=O)C2CCOCC2)cc1 ZINC001259915426 846446161 /nfs/dbraw/zinc/44/61/61/846446161.db2.gz FRUAOWNYOJTHQZ-UHFFFAOYSA-N -1 0 363.417 -0.036 20 0 FBADRM CCOC(=O)c1snc(C(N)=O)c1[N-]S(=O)(=O)c1ccn(C)n1 ZINC001259937558 846447206 /nfs/dbraw/zinc/44/72/06/846447206.db2.gz AXFYTBNXHJSCJG-UHFFFAOYSA-N -1 0 359.389 -0.047 20 0 FBADRM CCOC(=O)Cn1cnc2c1ncnc2[N-]S(=O)(=O)c1ccn(C)n1 ZINC001259937892 846447114 /nfs/dbraw/zinc/44/71/14/846447114.db2.gz XAVZWSLNPZKBOW-UHFFFAOYSA-N -1 0 365.375 -0.076 20 0 FBADRM Cn1ccc(S(=O)(=O)[N-]c2c(C(N)=O)cnn2C2CCOCC2)n1 ZINC001259938235 846447254 /nfs/dbraw/zinc/44/72/54/846447254.db2.gz GMVIVULRAGDSLM-UHFFFAOYSA-N -1 0 354.392 -0.132 20 0 FBADRM Cn1ccc(S(=O)(=O)[N-]c2ncc(Br)nc2C(N)=O)n1 ZINC001259938445 846447330 /nfs/dbraw/zinc/44/73/30/846447330.db2.gz MDZXCLPYRPFUDI-UHFFFAOYSA-N -1 0 361.181 -0.128 20 0 FBADRM Cn1ccc(S(=O)(=O)[N-]c2cc(N3CCN(CCO)CC3)ncn2)n1 ZINC001259938733 846447630 /nfs/dbraw/zinc/44/76/30/846447630.db2.gz SLCSVQPXLNKNNY-UHFFFAOYSA-N -1 0 367.435 -0.875 20 0 FBADRM Cn1ccc(S(=O)(=O)N2CCN(CCCCS(=O)(=O)[O-])CC2)n1 ZINC001259942363 846448631 /nfs/dbraw/zinc/44/86/31/846448631.db2.gz IDBCNDSZWQDXIH-UHFFFAOYSA-N -1 0 366.465 -0.606 20 0 FBADRM Cn1ccc(S(=O)(=O)NCC[N-]C(=O)C(F)(F)Br)n1 ZINC001259949193 846448327 /nfs/dbraw/zinc/44/83/27/846448327.db2.gz ZWLXCCGGPWJZNE-UHFFFAOYSA-N -1 0 361.168 -0.198 20 0 FBADRM Cc1nc([N-]S(=O)(=O)C(F)F)cc(N2CCN(CCO)CC2)n1 ZINC001259950466 846448257 /nfs/dbraw/zinc/44/82/57/846448257.db2.gz VJKVWLBRADVNOR-UHFFFAOYSA-N -1 0 351.379 -0.136 20 0 FBADRM O=S(=O)([N-]c1ccnc2c(N(CCO)CCO)cnn21)C(F)F ZINC001259950616 846448427 /nfs/dbraw/zinc/44/84/27/846448427.db2.gz CARGXQSCAFMCNR-UHFFFAOYSA-N -1 0 351.335 -0.515 20 0 FBADRM COC(=O)[C@@H](O)CCn1cnc2c1ncnc2[N-]S(=O)(=O)C(F)F ZINC001259950697 846448569 /nfs/dbraw/zinc/44/85/69/846448569.db2.gz DDEVCPBUFLCDHR-LURJTMIESA-N -1 0 365.318 -0.285 20 0 FBADRM COC(=O)[C@H](O)CCn1cnc2c1ncnc2[N-]S(=O)(=O)C(F)F ZINC001259950698 846448312 /nfs/dbraw/zinc/44/83/12/846448312.db2.gz DDEVCPBUFLCDHR-ZCFIWIBFSA-N -1 0 365.318 -0.285 20 0 FBADRM CN(C)C(=O)Cn1cc2c(n1)[C@@H](C[N-]S(=O)(=O)C(F)F)OCC2 ZINC001259960933 846449812 /nfs/dbraw/zinc/44/98/12/846449812.db2.gz PYVOYTOJRGVTHG-SECBINFHSA-N -1 0 352.363 -0.273 20 0 FBADRM CN(C)C(=O)Cn1cc2c(n1)[C@H](C[N-]S(=O)(=O)C(F)F)OCC2 ZINC001259960934 846449618 /nfs/dbraw/zinc/44/96/18/846449618.db2.gz PYVOYTOJRGVTHG-VIFPVBQESA-N -1 0 352.363 -0.273 20 0 FBADRM Cc1cn([C@H]2C[C@H]([N-]S(=O)(=O)C(F)F)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001259963672 846449688 /nfs/dbraw/zinc/44/96/88/846449688.db2.gz JYUKPTADYLESIA-XLPZGREQSA-N -1 0 355.319 -0.952 20 0 FBADRM NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)C(F)F ZINC001259965020 846449738 /nfs/dbraw/zinc/44/97/38/846449738.db2.gz RVGZUODZRWBSFH-VIFPVBQESA-N -1 0 351.331 -0.953 20 0 FBADRM COCCS(=O)(=O)[N-]c1cc(N2CCN(CCO)CC2)nc(C)n1 ZINC001259965918 846449646 /nfs/dbraw/zinc/44/96/46/846449646.db2.gz YGKQHYXEWYCNDD-UHFFFAOYSA-N -1 0 359.452 -0.713 20 0 FBADRM COCCS(=O)(=O)[N-]c1ncnc2c1ncn2[C@H]1C=C[C@@H](CO)O1 ZINC001259966098 846449824 /nfs/dbraw/zinc/44/98/24/846449824.db2.gz JURVCUSQUSVZNI-VHSXEESVSA-N -1 0 355.376 -0.340 20 0 FBADRM COCCS(=O)(=O)[N-]c1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1 ZINC001259966129 846449532 /nfs/dbraw/zinc/44/95/32/846449532.db2.gz LYNPYMJVJNAXMY-VHSXEESVSA-N -1 0 357.392 -0.116 20 0 FBADRM COCCS(=O)(=O)[N-]c1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](C)O1 ZINC001259966163 846449460 /nfs/dbraw/zinc/44/94/60/846449460.db2.gz NVUABUNOSJEMCS-KXUCPTDWSA-N -1 0 357.392 -0.117 20 0 FBADRM COCCS(=O)(=O)[N-]c1ncnc2c1ncn2CC[C@@H](O)C(=O)OC ZINC001259966351 846449410 /nfs/dbraw/zinc/44/94/10/846449410.db2.gz XYHFJWSADJXJMQ-SECBINFHSA-N -1 0 373.391 -0.862 20 0 FBADRM COCCS(=O)(=O)[N-]c1ncnc2c1ncn2CC[C@H](O)C(=O)OC ZINC001259966352 846449770 /nfs/dbraw/zinc/44/97/70/846449770.db2.gz XYHFJWSADJXJMQ-VIFPVBQESA-N -1 0 373.391 -0.862 20 0 FBADRM COCCS(=O)(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1 ZINC001259972491 846451663 /nfs/dbraw/zinc/45/16/63/846451663.db2.gz GYJABJLTRZIXLV-UHFFFAOYSA-N -1 0 350.418 -0.307 20 0 FBADRM COCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001259972554 846451272 /nfs/dbraw/zinc/45/12/72/846451272.db2.gz KJGLWTSSXUEBLH-UHFFFAOYSA-N -1 0 364.405 -0.139 20 0 FBADRM COC(=O)c1nc(I)cnc1[N-]S(N)(=O)=O ZINC001260075134 842125832 /nfs/dbraw/zinc/12/58/32/842125832.db2.gz XPNMEWZMOXADID-UHFFFAOYSA-N -1 0 358.117 -0.517 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ncnc2c1ncn2CCO ZINC001260105632 846454689 /nfs/dbraw/zinc/45/46/89/846454689.db2.gz LNQJBGARQQEVHS-UHFFFAOYSA-N -1 0 351.392 -0.030 20 0 FBADRM CCN(C(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2)[C@H]1CCS(=O)(=O)C1 ZINC001260117664 846454601 /nfs/dbraw/zinc/45/46/01/846454601.db2.gz HTOYSBIHOKMJPE-JTQLQIEISA-N -1 0 365.415 -0.684 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC001260162750 846456325 /nfs/dbraw/zinc/45/63/25/846456325.db2.gz MKWJAIZXFMXRFW-NSHDSACASA-N -1 0 370.383 -0.110 20 0 FBADRM Cc1noc([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)c1C(N)=O ZINC001260166212 846456534 /nfs/dbraw/zinc/45/65/34/846456534.db2.gz AXIWDWGTBTXLGI-UHFFFAOYSA-N -1 0 357.739 -0.026 20 0 FBADRM O=C(CC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1)N1CCOCC1 ZINC001260166400 846456676 /nfs/dbraw/zinc/45/66/76/846456676.db2.gz CZICMNVAFAUIBL-UHFFFAOYSA-N -1 0 374.810 -0.695 20 0 FBADRM O=S(=O)([N-]CCCN1CCOCC1)c1nc2nc(Cl)ccn2n1 ZINC001260166685 846456945 /nfs/dbraw/zinc/45/69/45/846456945.db2.gz HUHYCVNNNYJLBI-UHFFFAOYSA-N -1 0 360.827 -0.222 20 0 FBADRM Cn1ncc(C(N)=O)c1[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260166754 846456196 /nfs/dbraw/zinc/45/61/96/846456196.db2.gz LZZVAZACAUYSCN-UHFFFAOYSA-N -1 0 356.755 -0.589 20 0 FBADRM Cn1ncc([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)c1C(N)=O ZINC001260167137 846456763 /nfs/dbraw/zinc/45/67/63/846456763.db2.gz UNHBPVABMKWXAH-UHFFFAOYSA-N -1 0 356.755 -0.589 20 0 FBADRM Cc1nn(C)c([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)c1C(N)=O ZINC001260167299 846456782 /nfs/dbraw/zinc/45/67/82/846456782.db2.gz XKOIJWSZFIDAGM-UHFFFAOYSA-N -1 0 370.782 -0.281 20 0 FBADRM NC(=O)c1nccnc1[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260167426 846456858 /nfs/dbraw/zinc/45/68/58/846456858.db2.gz AKABCOXSFKHJMJ-UHFFFAOYSA-N -1 0 354.739 -0.533 20 0 FBADRM Cc1c([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)c(C(N)=O)nn1C ZINC001260167680 846456303 /nfs/dbraw/zinc/45/63/03/846456303.db2.gz OMHBSOBXONDDDP-UHFFFAOYSA-N -1 0 370.782 -0.281 20 0 FBADRM NC(=O)c1cnc([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)cn1 ZINC001260167748 846456852 /nfs/dbraw/zinc/45/68/52/846456852.db2.gz RGOWOBNYIIPECN-UHFFFAOYSA-N -1 0 354.739 -0.533 20 0 FBADRM NC(=O)c1cc([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)ccn1 ZINC001260167758 846456880 /nfs/dbraw/zinc/45/68/80/846456880.db2.gz RYTJAKTUWQPNPT-UHFFFAOYSA-N -1 0 353.751 -0.506 20 0 FBADRM NC(=O)c1ncc([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)cn1 ZINC001260167819 846456340 /nfs/dbraw/zinc/45/63/40/846456340.db2.gz VPPDDQLPVHYRJB-UHFFFAOYSA-N -1 0 354.739 -0.533 20 0 FBADRM COC(=O)Cn1cc([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)cn1 ZINC001260167890 846456844 /nfs/dbraw/zinc/45/68/44/846456844.db2.gz YUCMWAJSOAMTHU-UHFFFAOYSA-N -1 0 371.766 -0.052 20 0 FBADRM CNC(=O)c1nccnc1[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260167956 846456553 /nfs/dbraw/zinc/45/65/53/846456553.db2.gz CJURQXCWEROKAC-UHFFFAOYSA-N -1 0 368.766 -0.272 20 0 FBADRM O=S(=O)([N-][C@H]1CCS(=O)(=O)C1)c1nc2nc(Cl)ccn2n1 ZINC001260176296 846458824 /nfs/dbraw/zinc/45/88/24/846458824.db2.gz IXKOAMSXCFLYEE-LURJTMIESA-N -1 0 351.797 -0.757 20 0 FBADRM O=S(=O)([N-][C@@H]1CCS(=O)(=O)C1)c1nc2nc(Cl)ccn2n1 ZINC001260176297 846458664 /nfs/dbraw/zinc/45/86/64/846458664.db2.gz IXKOAMSXCFLYEE-ZCFIWIBFSA-N -1 0 351.797 -0.757 20 0 FBADRM NC(=O)C1(C[N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)CCOCC1 ZINC001260176516 846458890 /nfs/dbraw/zinc/45/88/90/846458890.db2.gz OPIPHIAGHFYOEG-UHFFFAOYSA-N -1 0 374.810 -0.662 20 0 FBADRM CS(=O)(=O)CCC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260177202 846458540 /nfs/dbraw/zinc/45/85/40/846458540.db2.gz ARRBYWUOFDYGJE-UHFFFAOYSA-N -1 0 353.813 -0.509 20 0 FBADRM O=c1[nH][nH]cc1CCC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260177236 846458871 /nfs/dbraw/zinc/45/88/71/846458871.db2.gz CDDSPIAGWORNER-SSDOTTSWSA-N -1 0 357.783 -0.432 20 0 FBADRM O=c1[nH][nH]cc1CCC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260177237 846458410 /nfs/dbraw/zinc/45/84/10/846458410.db2.gz CDDSPIAGWORNER-ZETCQYMHSA-N -1 0 357.783 -0.432 20 0 FBADRM CC(=O)N1C[C@H]2C[C@@]2([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)C1 ZINC001260177888 846458790 /nfs/dbraw/zinc/45/87/90/846458790.db2.gz OGPSDRURKLEBGP-PRHODGIISA-N -1 0 356.795 -0.323 20 0 FBADRM CC(=O)N1C[C@@H]2C[C@]2([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)C1 ZINC001260177890 846458708 /nfs/dbraw/zinc/45/87/08/846458708.db2.gz OGPSDRURKLEBGP-UFBFGSQYSA-N -1 0 356.795 -0.323 20 0 FBADRM COC(=O)CCC(=O)C[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260178267 846458350 /nfs/dbraw/zinc/45/83/50/846458350.db2.gz ANZDHWOUWQUNIH-UHFFFAOYSA-N -1 0 361.767 -0.422 20 0 FBADRM O=S(=O)([N-][C@H]1CCN(C2COC2)C1)c1nc2nc(Cl)ccn2n1 ZINC001260178275 846458782 /nfs/dbraw/zinc/45/87/82/846458782.db2.gz ATNNOSHKXNUBPB-QMMMGPOBSA-N -1 0 358.811 -0.471 20 0 FBADRM O=S(=O)([N-]CC1(N2CCCC2)COC1)c1nc2nc(Cl)ccn2n1 ZINC001260178276 846458762 /nfs/dbraw/zinc/45/87/62/846458762.db2.gz AURDRXMWWFAXDA-UHFFFAOYSA-N -1 0 372.838 -0.079 20 0 FBADRM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1)[C@@H](C)O ZINC001260178321 846458440 /nfs/dbraw/zinc/45/84/40/846458440.db2.gz CDRUERQUNGKLCX-SVRRBLITSA-N -1 0 363.783 -0.632 20 0 FBADRM O=S(=O)([N-][C@@H]1CCCN(C2COC2)C1)c1nc2nc(Cl)ccn2n1 ZINC001260178346 846458590 /nfs/dbraw/zinc/45/85/90/846458590.db2.gz DLGGNEDAISYKMT-SECBINFHSA-N -1 0 372.838 -0.081 20 0 FBADRM O=S(=O)([N-]CCOCCOCCO)c1nc2nc(Cl)ccn2n1 ZINC001260178526 846458849 /nfs/dbraw/zinc/45/88/49/846458849.db2.gz FYUGVIBJJPHZDH-UHFFFAOYSA-N -1 0 365.799 -0.919 20 0 FBADRM Cn1ccc(C[N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)cc1=O ZINC001260178707 846458838 /nfs/dbraw/zinc/45/88/38/846458838.db2.gz NEJNJRAVDYDXGM-UHFFFAOYSA-N -1 0 354.779 -0.045 20 0 FBADRM O=S(=O)([N-]C1CCS(=O)(=O)CC1)c1nc2nc(Cl)ccn2n1 ZINC001260178898 846458528 /nfs/dbraw/zinc/45/85/28/846458528.db2.gz TXQQLYFMPBKXMB-UHFFFAOYSA-N -1 0 365.824 -0.367 20 0 FBADRM CS(=O)(=O)[C@H]1C[C@@H]([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)C1 ZINC001260178997 846458909 /nfs/dbraw/zinc/45/89/09/846458909.db2.gz XVOSMEPYISJXKF-KNVOCYPGSA-N -1 0 365.824 -0.368 20 0 FBADRM CS(=O)(=O)[C@H]1C[C@H]([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)C1 ZINC001260178998 846458512 /nfs/dbraw/zinc/45/85/12/846458512.db2.gz XVOSMEPYISJXKF-LJGSYFOKSA-N -1 0 365.824 -0.368 20 0 FBADRM CCOC(=O)[C@H]([N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1)[C@@H](C)O ZINC001260179140 846458720 /nfs/dbraw/zinc/45/87/20/846458720.db2.gz CDRUERQUNGKLCX-HTRCEHHLSA-N -1 0 363.783 -0.632 20 0 FBADRM NC(=O)C1([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)CCOCC1 ZINC001260179168 846458691 /nfs/dbraw/zinc/45/86/91/846458691.db2.gz DGSXVVLDORKSFV-UHFFFAOYSA-N -1 0 360.783 -0.910 20 0 FBADRM O=S(=O)([N-]C[C@H]1CCS(=O)(=O)C1)c1nc2nc(Cl)ccn2n1 ZINC001260179643 846458858 /nfs/dbraw/zinc/45/88/58/846458858.db2.gz RDIKTWDPBYLGSE-SSDOTTSWSA-N -1 0 365.824 -0.509 20 0 FBADRM O=S(=O)([N-]C[C@@H]1CCS(=O)(=O)C1)c1nc2nc(Cl)ccn2n1 ZINC001260179644 846458937 /nfs/dbraw/zinc/45/89/37/846458937.db2.gz RDIKTWDPBYLGSE-ZETCQYMHSA-N -1 0 365.824 -0.509 20 0 FBADRM O=S(=O)([N-]CCN1CCC(O)CC1)c1nc2nc(Cl)ccn2n1 ZINC001260179652 846458461 /nfs/dbraw/zinc/45/84/61/846458461.db2.gz RTONVMUQPLWZLU-UHFFFAOYSA-N -1 0 360.827 -0.487 20 0 FBADRM O=S(=O)([N-]C1CCN(C2COC2)CC1)c1nc2nc(Cl)ccn2n1 ZINC001260179810 846458383 /nfs/dbraw/zinc/45/83/83/846458383.db2.gz WFXBAUPDTVOJFO-UHFFFAOYSA-N -1 0 372.838 -0.081 20 0 FBADRM CCOC(=O)C([N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1)=C(C)O ZINC001260179818 846458674 /nfs/dbraw/zinc/45/86/74/846458674.db2.gz WMECNCPAOVNMPO-MRVPVSSYSA-N -1 0 361.767 -0.423 20 0 FBADRM CCOC(=O)C([N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1)=C(C)O ZINC001260179819 846458613 /nfs/dbraw/zinc/45/86/13/846458613.db2.gz WMECNCPAOVNMPO-QMMMGPOBSA-N -1 0 361.767 -0.423 20 0 FBADRM O=S(=O)([N-]C1CCN(CCO)CC1)c1nc2nc(Cl)ccn2n1 ZINC001260179874 846458812 /nfs/dbraw/zinc/45/88/12/846458812.db2.gz XXPFPYQAGIKIQC-UHFFFAOYSA-N -1 0 360.827 -0.487 20 0 FBADRM Cn1c([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)cc(=O)[nH]c1=O ZINC001260179914 846458563 /nfs/dbraw/zinc/45/85/63/846458563.db2.gz ZVXXRQQHMCRNLD-UHFFFAOYSA-N -1 0 357.739 -0.622 20 0 FBADRM C[C@@]1([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)CCC(=O)NC1=O ZINC001260179928 846458578 /nfs/dbraw/zinc/45/85/78/846458578.db2.gz AJCSSNUMOOGOCL-LLVKDONJSA-N -1 0 358.767 -0.749 20 0 FBADRM C[C@]1([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)CCC(=O)NC1=O ZINC001260179929 846458796 /nfs/dbraw/zinc/45/87/96/846458796.db2.gz AJCSSNUMOOGOCL-NSHDSACASA-N -1 0 358.767 -0.749 20 0 FBADRM O=S(=O)([N-]CCN1CCC[C@@H](O)C1)c1nc2nc(Cl)ccn2n1 ZINC001260179946 846458498 /nfs/dbraw/zinc/45/84/98/846458498.db2.gz BHFIWJUISKRDQQ-SECBINFHSA-N -1 0 360.827 -0.487 20 0 FBADRM O=S(=O)([N-]CCN1CCC[C@H](O)C1)c1nc2nc(Cl)ccn2n1 ZINC001260179947 846458923 /nfs/dbraw/zinc/45/89/23/846458923.db2.gz BHFIWJUISKRDQQ-VIFPVBQESA-N -1 0 360.827 -0.487 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1)NCc1ccco1 ZINC001260179960 846459660 /nfs/dbraw/zinc/45/96/60/846459660.db2.gz BRQHLSLZUPQZBU-UHFFFAOYSA-N -1 0 370.778 -0.035 20 0 FBADRM O=S(=O)([N-]CCN1CC2(COC2)C1)c1nc2nc(Cl)ccn2n1 ZINC001260179983 846459744 /nfs/dbraw/zinc/45/97/44/846459744.db2.gz CLOWEQVEUOWVOG-UHFFFAOYSA-N -1 0 358.811 -0.612 20 0 FBADRM O=S(=O)([N-]C1CN(c2cnccn2)C1)c1nc2nc(Cl)ccn2n1 ZINC001260180128 846459767 /nfs/dbraw/zinc/45/97/67/846459767.db2.gz HAMDIHJGSAQNFT-UHFFFAOYSA-N -1 0 366.794 -0.265 20 0 FBADRM O=c1nc2nc[nH]c2c([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)[nH]1 ZINC001260180179 846459865 /nfs/dbraw/zinc/45/98/65/846459865.db2.gz IUPCMYKHVLWVCT-UHFFFAOYSA-N -1 0 367.738 -0.050 20 0 FBADRM C[C@@]1([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)CCS(=O)(=O)C1 ZINC001260180269 846459810 /nfs/dbraw/zinc/45/98/10/846459810.db2.gz LAVKXLQLOGQEPH-SNVBAGLBSA-N -1 0 365.824 -0.367 20 0 FBADRM Cn1c(=O)cc([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)[nH]c1=O ZINC001260180660 846459831 /nfs/dbraw/zinc/45/98/31/846459831.db2.gz WAIOXXYLXCWESH-UHFFFAOYSA-N -1 0 357.739 -0.622 20 0 FBADRM O=S(=O)([N-]C1CN(c2ncccn2)C1)c1nc2nc(Cl)ccn2n1 ZINC001260180796 846459535 /nfs/dbraw/zinc/45/95/35/846459535.db2.gz ZJGPYQLOELZAND-UHFFFAOYSA-N -1 0 366.794 -0.265 20 0 FBADRM CNC(=O)N1CCC([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)CC1 ZINC001260180887 846459641 /nfs/dbraw/zinc/45/96/41/846459641.db2.gz DGWYPMDTFNEKHY-UHFFFAOYSA-N -1 0 373.826 -0.140 20 0 FBADRM C[C@@H]1COCCN1CC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260181122 846459847 /nfs/dbraw/zinc/45/98/47/846459847.db2.gz LWCVHPWHQWXJEL-SECBINFHSA-N -1 0 360.827 -0.223 20 0 FBADRM C[C@H]1COCCN1CC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260181123 846459592 /nfs/dbraw/zinc/45/95/92/846459592.db2.gz LWCVHPWHQWXJEL-VIFPVBQESA-N -1 0 360.827 -0.223 20 0 FBADRM CSCC[C@H]([N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1)C(N)=O ZINC001260181387 846459822 /nfs/dbraw/zinc/45/98/22/846459822.db2.gz RJWWRDIPFAJAQG-LURJTMIESA-N -1 0 364.840 -0.337 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1)NCC(F)(F)F ZINC001260181747 846459650 /nfs/dbraw/zinc/45/96/50/846459650.db2.gz JTFIHZMBPCUMAA-UHFFFAOYSA-N -1 0 372.716 -0.266 20 0 FBADRM COC(=O)[C@@]1([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)CCOC1 ZINC001260182164 846459728 /nfs/dbraw/zinc/45/97/28/846459728.db2.gz ZRYSLVUJJWETHP-LLVKDONJSA-N -1 0 361.767 -0.612 20 0 FBADRM COC(=O)[C@]1([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)CCOC1 ZINC001260182165 846459739 /nfs/dbraw/zinc/45/97/39/846459739.db2.gz ZRYSLVUJJWETHP-NSHDSACASA-N -1 0 361.767 -0.612 20 0 FBADRM O=S(=O)([N-]C1CN(c2ccncn2)C1)c1nc2nc(Cl)ccn2n1 ZINC001260182237 846459603 /nfs/dbraw/zinc/45/96/03/846459603.db2.gz CPYLXOGCABJGKB-UHFFFAOYSA-N -1 0 366.794 -0.265 20 0 FBADRM CC(=O)N1CC[C@H](C[N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)C1 ZINC001260182507 846459857 /nfs/dbraw/zinc/45/98/57/846459857.db2.gz KBEMYZGMEFERBA-SECBINFHSA-N -1 0 358.811 -0.076 20 0 FBADRM CC(=O)N1CC[C@@H](C[N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)C1 ZINC001260182508 846459870 /nfs/dbraw/zinc/45/98/70/846459870.db2.gz KBEMYZGMEFERBA-VIFPVBQESA-N -1 0 358.811 -0.076 20 0 FBADRM CN1CCC(CO)([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)CC1 ZINC001260182651 846459670 /nfs/dbraw/zinc/45/96/70/846459670.db2.gz LJWZHDZHONQCPG-UHFFFAOYSA-N -1 0 360.827 -0.487 20 0 FBADRM O=C([O-])c1cccc(S(=O)(=O)N2CC(N3CCS(=O)(=O)CC3)C2)c1 ZINC001260187201 846459790 /nfs/dbraw/zinc/45/97/90/846459790.db2.gz FFJIMOLZGFFGIN-UHFFFAOYSA-N -1 0 374.440 -0.512 20 0 FBADRM CCOC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260187319 846459759 /nfs/dbraw/zinc/45/97/59/846459759.db2.gz YNLSCEFDGGAAEW-GFCCVEGCSA-N -1 0 370.383 -0.173 20 0 FBADRM CCOC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260187325 846459584 /nfs/dbraw/zinc/45/95/84/846459584.db2.gz YNLSCEFDGGAAEW-LBPRGKRZSA-N -1 0 370.383 -0.173 20 0 FBADRM CN1CCN(C2CN(S(=O)(=O)c3cccc(C(=O)[O-])c3)C2)CC1=O ZINC001260187441 846459781 /nfs/dbraw/zinc/45/97/81/846459781.db2.gz PHILWQFEXLWVLN-UHFFFAOYSA-N -1 0 353.400 -0.468 20 0 FBADRM CC1(C)CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CCN1CC(N)=O ZINC001260187618 846459754 /nfs/dbraw/zinc/45/97/54/846459754.db2.gz WWTPZZKBUMNXBR-UHFFFAOYSA-N -1 0 355.416 -0.045 20 0 FBADRM COC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260188640 846459681 /nfs/dbraw/zinc/45/96/81/846459681.db2.gz OBWVMUIVKUDRGD-LBPRGKRZSA-N -1 0 370.383 -0.173 20 0 FBADRM COC(=O)[C@H]1CN(C(C)=O)CCN1S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260188902 846459838 /nfs/dbraw/zinc/45/98/38/846459838.db2.gz VNLIHNJCFHJANZ-CYBMUJFWSA-N -1 0 370.383 -0.221 20 0 FBADRM COC(=O)[C@@H]1CN(C(C)=O)CCN1S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260188903 846459709 /nfs/dbraw/zinc/45/97/09/846459709.db2.gz VNLIHNJCFHJANZ-ZDUSSCGKSA-N -1 0 370.383 -0.221 20 0 FBADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CCN1C(C)=O ZINC001260188992 846459704 /nfs/dbraw/zinc/45/97/04/846459704.db2.gz ZJVXJOOCEBLZQB-CYBMUJFWSA-N -1 0 370.383 -0.221 20 0 FBADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CCN1C(C)=O ZINC001260188993 846459843 /nfs/dbraw/zinc/45/98/43/846459843.db2.gz ZJVXJOOCEBLZQB-ZDUSSCGKSA-N -1 0 370.383 -0.221 20 0 FBADRM CN(C)C(=O)c1nc(CNS(=O)(=O)c2cccc(C(=O)[O-])c2)no1 ZINC001260191197 846459816 /nfs/dbraw/zinc/45/98/16/846459816.db2.gz FFXBGEHODSQKCR-UHFFFAOYSA-N -1 0 354.344 -0.052 20 0 FBADRM CC(=O)N[C@@H](CCCCNS(=O)(=O)c1cccc(C(=O)[O-])c1)C(N)=O ZINC001260191609 846459802 /nfs/dbraw/zinc/45/98/02/846459802.db2.gz DSYYKRXFTLCOFE-ZDUSSCGKSA-N -1 0 371.415 -0.177 20 0 FBADRM O=C([O-])c1cccc(S(=O)(=O)NCCNC(=O)N2CCOCC2)c1 ZINC001260192205 846459775 /nfs/dbraw/zinc/45/97/75/846459775.db2.gz WGZZOMYKSFTJAR-UHFFFAOYSA-N -1 0 357.388 -0.295 20 0 FBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260193643 846459785 /nfs/dbraw/zinc/45/97/85/846459785.db2.gz OKXDHEVARTUWNR-IUCAKERBSA-N -1 0 358.372 -0.271 20 0 FBADRM O=C([O-])c1cccc(S(=O)(=O)NCCN2CCS(=O)(=O)CC2)c1 ZINC001260193691 846459794 /nfs/dbraw/zinc/45/97/94/846459794.db2.gz QKDZCUXQRKJTPU-UHFFFAOYSA-N -1 0 362.429 -0.607 20 0 FBADRM CC(C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(N)=O ZINC001260194104 846459573 /nfs/dbraw/zinc/45/95/73/846459573.db2.gz FOSJEKSMMSXLQG-CABZTGNLSA-N -1 0 371.415 -0.322 20 0 FBADRM O=C([O-])c1cccc(S(=O)(=O)NCCOCCN2C(=O)C=CC2=O)c1 ZINC001260194164 846459751 /nfs/dbraw/zinc/45/97/51/846459751.db2.gz CNUQGSCOFNISCW-UHFFFAOYSA-N -1 0 368.367 -0.395 20 0 FBADRM CC(C)C[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)NCC(N)=O ZINC001260194513 846459687 /nfs/dbraw/zinc/45/96/87/846459687.db2.gz NDYDOARBSQWIGY-LBPRGKRZSA-N -1 0 371.415 -0.321 20 0 FBADRM Cn1c(=O)cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)n(C)c1=O ZINC001260217624 846460428 /nfs/dbraw/zinc/46/04/28/846460428.db2.gz YSCLIKANFGCHKG-UHFFFAOYSA-N -1 0 357.319 -0.278 20 0 FBADRM CCOC(=O)CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260217950 846460591 /nfs/dbraw/zinc/46/05/91/846460591.db2.gz NOMPSNZCLVCEKF-UHFFFAOYSA-N -1 0 362.335 -0.519 20 0 FBADRM O=C([O-])c1ccc(F)c(S(=O)(=O)NCCOCCOCCO)c1 ZINC001260218162 846460524 /nfs/dbraw/zinc/46/05/24/846460524.db2.gz VYBBSYBYTYGTIX-UHFFFAOYSA-N -1 0 351.352 -0.172 20 0 FBADRM CS(=O)(=O)N1CC(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1 ZINC001260218208 846460461 /nfs/dbraw/zinc/46/04/61/846460461.db2.gz YFGPBTIMALDOQA-UHFFFAOYSA-N -1 0 352.365 -0.554 20 0 FBADRM COC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260220380 846460477 /nfs/dbraw/zinc/46/04/77/846460477.db2.gz QYKLWMRTRNZBKJ-ZETCQYMHSA-N -1 0 362.335 -0.520 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(N)=O ZINC001260220382 846460492 /nfs/dbraw/zinc/46/04/92/846460492.db2.gz RCKBEUNWLCRCJD-VIFPVBQESA-N -1 0 362.335 -0.391 20 0 FBADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(N)=O ZINC001260220685 846460516 /nfs/dbraw/zinc/46/05/16/846460516.db2.gz HEQBQTUJNZXANY-BQBZGAKWSA-N -1 0 361.351 -0.819 20 0 FBADRM CCOC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260223925 846460586 /nfs/dbraw/zinc/46/05/86/846460586.db2.gz CPTSIHVHQKILBV-GFCCVEGCSA-N -1 0 370.383 -0.173 20 0 FBADRM CCOC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260223927 846460450 /nfs/dbraw/zinc/46/04/50/846460450.db2.gz CPTSIHVHQKILBV-LBPRGKRZSA-N -1 0 370.383 -0.173 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)N2CC(N3CCS(=O)(=O)CC3)C2)cc1 ZINC001260225725 846460503 /nfs/dbraw/zinc/46/05/03/846460503.db2.gz NIVNQYXLZBOPQM-UHFFFAOYSA-N -1 0 374.440 -0.512 20 0 FBADRM CN1CCN(C2CN(S(=O)(=O)c3ccc(C(=O)[O-])cc3)C2)CC1=O ZINC001260225862 846460598 /nfs/dbraw/zinc/46/05/98/846460598.db2.gz SJULGLDVEHCEGJ-UHFFFAOYSA-N -1 0 353.400 -0.468 20 0 FBADRM CC1(C)CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CCN1CC(N)=O ZINC001260225954 846460548 /nfs/dbraw/zinc/46/05/48/846460548.db2.gz ZHOOTOZOCQLHCW-UHFFFAOYSA-N -1 0 355.416 -0.045 20 0 FBADRM COC(=O)[C@H]1CN(C(C)=O)CCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260226026 846460468 /nfs/dbraw/zinc/46/04/68/846460468.db2.gz DRCGIZSGMNBTCK-CYBMUJFWSA-N -1 0 370.383 -0.221 20 0 FBADRM COC(=O)[C@@H]1CN(C(C)=O)CCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260226027 846460569 /nfs/dbraw/zinc/46/05/69/846460569.db2.gz DRCGIZSGMNBTCK-ZDUSSCGKSA-N -1 0 370.383 -0.221 20 0 FBADRM COC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260226655 846460531 /nfs/dbraw/zinc/46/05/31/846460531.db2.gz PZNLTDWTGHUCSK-LBPRGKRZSA-N -1 0 370.383 -0.173 20 0 FBADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CCN1C(C)=O ZINC001260227247 846460618 /nfs/dbraw/zinc/46/06/18/846460618.db2.gz XLQOIYAIDDCAJM-CYBMUJFWSA-N -1 0 370.383 -0.221 20 0 FBADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CCN1C(C)=O ZINC001260227248 846460604 /nfs/dbraw/zinc/46/06/04/846460604.db2.gz XLQOIYAIDDCAJM-ZDUSSCGKSA-N -1 0 370.383 -0.221 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)NCCNC(=O)N2CCOCC2)cc1 ZINC001260230034 846460496 /nfs/dbraw/zinc/46/04/96/846460496.db2.gz ZZUQSPDDQJTJDK-UHFFFAOYSA-N -1 0 357.388 -0.295 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)NCCN2CCS(=O)(=O)CC2)cc1 ZINC001260230515 846460578 /nfs/dbraw/zinc/46/05/78/846460578.db2.gz DNBRWOYCOWVDRG-UHFFFAOYSA-N -1 0 362.429 -0.607 20 0 FBADRM CC(=O)N[C@@H](CCCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(N)=O ZINC001260230857 846460564 /nfs/dbraw/zinc/46/05/64/846460564.db2.gz CIZROYDOQNNXNY-ZDUSSCGKSA-N -1 0 371.415 -0.177 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)NCCOCCN2C(=O)C=CC2=O)cc1 ZINC001260231158 846460482 /nfs/dbraw/zinc/46/04/82/846460482.db2.gz XGWRZQUZEAEQRM-UHFFFAOYSA-N -1 0 368.367 -0.395 20 0 FBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260231334 846460540 /nfs/dbraw/zinc/46/05/40/846460540.db2.gz MAFGSABQLCEKBG-IUCAKERBSA-N -1 0 358.372 -0.271 20 0 FBADRM CC(C)C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(=O)NCC(N)=O ZINC001260232461 846460510 /nfs/dbraw/zinc/46/05/10/846460510.db2.gz PWGLQPGLNLHXOG-LBPRGKRZSA-N -1 0 371.415 -0.321 20 0 FBADRM CC(C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(N)=O ZINC001260232551 846460614 /nfs/dbraw/zinc/46/06/14/846460614.db2.gz UNYFJGCUKFPYOA-CABZTGNLSA-N -1 0 371.415 -0.322 20 0 FBADRM NC(=O)C([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(N)=O ZINC001260256038 846461606 /nfs/dbraw/zinc/46/16/06/846461606.db2.gz NKBHHFVWSAGVQZ-UHFFFAOYSA-N -1 0 372.147 -0.655 20 0 FBADRM COc1ccc(C)cc1S(=O)(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001260300444 846461500 /nfs/dbraw/zinc/46/15/00/846461500.db2.gz OUEARXGDEYNZQP-KWQFWETISA-N -1 0 364.401 -0.316 20 0 FBADRM CCOC(=O)CN1CCN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CC1 ZINC001260393295 846462252 /nfs/dbraw/zinc/46/22/52/846462252.db2.gz SYOMVQJQFGPCJN-UHFFFAOYSA-N -1 0 372.399 -0.040 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CC(=O)N(C3CC3)C(=O)C2)ccc1O ZINC001260393955 846462660 /nfs/dbraw/zinc/46/26/60/846462660.db2.gz KBTBAGPINOFQOU-UHFFFAOYSA-N -1 0 354.340 -0.388 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC3(CC2)COCC(=O)N3)ccc1O ZINC001260394938 846462498 /nfs/dbraw/zinc/46/24/98/846462498.db2.gz XSSSOURVZYCLDI-UHFFFAOYSA-N -1 0 370.383 -0.240 20 0 FBADRM COC(=O)[C@@]12COC[C@@H]1CN(S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)C2 ZINC001260394975 846462231 /nfs/dbraw/zinc/46/22/31/846462231.db2.gz YPEYZIGWHPBNGZ-VFZGTOFNSA-N -1 0 371.367 -0.100 20 0 FBADRM CN1CCN(C2CN(S(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)C2)CC1=O ZINC001260396307 846462541 /nfs/dbraw/zinc/46/25/41/846462541.db2.gz OLZBDEBWKVJTPU-UHFFFAOYSA-N -1 0 369.399 -0.763 20 0 FBADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CCN1C ZINC001260396863 846462957 /nfs/dbraw/zinc/46/29/57/846462957.db2.gz AMAZHCIJUJKZEH-LLVKDONJSA-N -1 0 358.372 -0.432 20 0 FBADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CCN1C ZINC001260396864 846462903 /nfs/dbraw/zinc/46/29/03/846462903.db2.gz AMAZHCIJUJKZEH-NSHDSACASA-N -1 0 358.372 -0.432 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC3(CC2)CNC(=O)CO3)ccc1O ZINC001260396959 846462430 /nfs/dbraw/zinc/46/24/30/846462430.db2.gz DWJDJBRKPJKBOO-UHFFFAOYSA-N -1 0 370.383 -0.240 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN3C(=O)COC[C@H]3C2)ccc1O ZINC001260397358 846462284 /nfs/dbraw/zinc/46/22/84/846462284.db2.gz PRIXYXKRNQVTNP-SECBINFHSA-N -1 0 356.356 -0.678 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN3C(=O)COC[C@@H]3C2)ccc1O ZINC001260397359 846462805 /nfs/dbraw/zinc/46/28/05/846462805.db2.gz PRIXYXKRNQVTNP-VIFPVBQESA-N -1 0 356.356 -0.678 20 0 FBADRM CC1(C)CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CCN1CC(N)=O ZINC001260397510 846462622 /nfs/dbraw/zinc/46/26/22/846462622.db2.gz VTZXFVHGYOHFDV-UHFFFAOYSA-N -1 0 371.415 -0.339 20 0 FBADRM COC(=O)C1(O)CCN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CC1 ZINC001260397661 846462275 /nfs/dbraw/zinc/46/22/75/846462275.db2.gz DLUQVSZRXLOTMR-UHFFFAOYSA-N -1 0 359.356 -0.221 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCC3(CNC(=O)N3)CC2)ccc1O ZINC001260398077 846462417 /nfs/dbraw/zinc/46/24/17/846462417.db2.gz QZQALNWTOKUAIO-UHFFFAOYSA-N -1 0 355.372 -0.074 20 0 FBADRM COC(=O)[C@H]1CN(C)CCN1S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260398153 846462795 /nfs/dbraw/zinc/46/27/95/846462795.db2.gz UGIFSVDJSHVFIJ-LLVKDONJSA-N -1 0 358.372 -0.432 20 0 FBADRM COC(=O)[C@@H]1CN(C)CCN1S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260398154 846462554 /nfs/dbraw/zinc/46/25/54/846462554.db2.gz UGIFSVDJSHVFIJ-NSHDSACASA-N -1 0 358.372 -0.432 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN(c3ncncn3)CC2)ccc1O ZINC001260398195 846462782 /nfs/dbraw/zinc/46/27/82/846462782.db2.gz WIGPYYUZHYCKKR-UHFFFAOYSA-N -1 0 365.371 -0.214 20 0 FBADRM CS(=O)(=O)N1CC(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C1 ZINC001260401197 846462512 /nfs/dbraw/zinc/46/25/12/846462512.db2.gz ASUDEGPDQRENAN-UHFFFAOYSA-N -1 0 350.374 -0.988 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2COCCC23OCCO3)ccc1O ZINC001260401438 846462946 /nfs/dbraw/zinc/46/29/46/846462946.db2.gz NZDSYBWXHBRLHC-GFCCVEGCSA-N -1 0 359.356 -0.099 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N[C@H]2COCCC23OCCO3)ccc1O ZINC001260401439 846462303 /nfs/dbraw/zinc/46/23/03/846462303.db2.gz NZDSYBWXHBRLHC-LBPRGKRZSA-N -1 0 359.356 -0.099 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NCCNC(=O)N2CCOCC2)ccc1O ZINC001260401684 846462789 /nfs/dbraw/zinc/46/27/89/846462789.db2.gz AVBPPPKZBOKPNA-UHFFFAOYSA-N -1 0 373.387 -0.590 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)NC2CC3(C2)CS(=O)(=O)C3)ccc1O ZINC001260401750 846462460 /nfs/dbraw/zinc/46/24/60/846462460.db2.gz XNXGTPTYEZMNGT-UHFFFAOYSA-N -1 0 361.397 -0.054 20 0 FBADRM CN(C)C(=O)c1nc(CNS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)no1 ZINC001260401774 846462691 /nfs/dbraw/zinc/46/26/91/846462691.db2.gz FAUKCZPAMYIQEM-UHFFFAOYSA-N -1 0 370.343 -0.346 20 0 FBADRM Cn1c(=O)cc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n(C)c1=O ZINC001260402077 846462244 /nfs/dbraw/zinc/46/22/44/846462244.db2.gz QABWBIRQLXNBEL-UHFFFAOYSA-N -1 0 355.328 -0.711 20 0 FBADRM CCOC(=O)CNC(=O)CNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260402112 846462861 /nfs/dbraw/zinc/46/28/61/846462861.db2.gz SJHLNSRIXKQPBD-UHFFFAOYSA-N -1 0 360.344 -0.952 20 0 FBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260402387 846462210 /nfs/dbraw/zinc/46/22/10/846462210.db2.gz IWXDIWKZLRNVHV-YUMQZZPRSA-N -1 0 374.371 -0.565 20 0 FBADRM COC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260402856 846462607 /nfs/dbraw/zinc/46/26/07/846462607.db2.gz DIKCVQGUWJKANU-ZETCQYMHSA-N -1 0 360.344 -0.954 20 0 FBADRM COC(=O)c1ncc(=O)[nH]c1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260403390 846463035 /nfs/dbraw/zinc/46/30/35/846463035.db2.gz GAKTZSQYSHHCCV-UHFFFAOYSA-N -1 0 369.311 -0.239 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)C(N)=O ZINC001260403680 846462740 /nfs/dbraw/zinc/46/27/40/846462740.db2.gz SNTAVMGVDFWHBE-VIFPVBQESA-N -1 0 360.344 -0.824 20 0 FBADRM COC(=O)[C@@H]1COCC[C@@H]1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260404830 846462726 /nfs/dbraw/zinc/46/27/26/846462726.db2.gz CSFYQDNCIKFLGG-MNOVXSKESA-N -1 0 359.356 -0.053 20 0 FBADRM O=C1[N-]OC[C@H]1NS(=O)(=O)c1ccccc1I ZINC001260413124 846462965 /nfs/dbraw/zinc/46/29/65/846462965.db2.gz GQYPJPAFXLDWGX-SSDOTTSWSA-N -1 0 368.152 -0.001 20 0 FBADRM CN(C)C(=O)c1nc(CNS(=O)(=O)c2cccc3nonc32)no1 ZINC001260443101 846464032 /nfs/dbraw/zinc/46/40/32/846464032.db2.gz UJAAJFJLGIAYIA-UHFFFAOYSA-N -1 0 352.332 -0.214 20 0 FBADRM Cn1ncc([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)c1C(N)=O ZINC001260515397 846463931 /nfs/dbraw/zinc/46/39/31/846463931.db2.gz IPRKSEMQPNISBJ-UHFFFAOYSA-N -1 0 358.401 -0.277 20 0 FBADRM Cn1ncc(C(N)=O)c1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC001260515410 846463947 /nfs/dbraw/zinc/46/39/47/846463947.db2.gz JIJUANHNVNQIRT-UHFFFAOYSA-N -1 0 358.401 -0.277 20 0 FBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cnc(C(N)=O)cn1 ZINC001260515905 846463918 /nfs/dbraw/zinc/46/39/18/846463918.db2.gz CCIBBBIEYJEHOL-UHFFFAOYSA-N -1 0 356.385 -0.220 20 0 FBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1nccnc1C(N)=O ZINC001260516094 846464012 /nfs/dbraw/zinc/46/40/12/846464012.db2.gz IUQOXZDAHSFLLZ-UHFFFAOYSA-N -1 0 356.385 -0.220 20 0 FBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cnc(C(N)=O)nc1 ZINC001260516247 846464931 /nfs/dbraw/zinc/46/49/31/846464931.db2.gz XWPGHBXDYVCBJT-UHFFFAOYSA-N -1 0 356.385 -0.220 20 0 FBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001260522938 846464806 /nfs/dbraw/zinc/46/48/06/846464806.db2.gz IKNAGNWTUMPSLS-SECBINFHSA-N -1 0 350.399 -0.323 20 0 FBADRM CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001260522939 846464729 /nfs/dbraw/zinc/46/47/29/846464729.db2.gz IKNAGNWTUMPSLS-VIFPVBQESA-N -1 0 350.399 -0.323 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CS(C)(=O)=O)cc1 ZINC001260583139 846466826 /nfs/dbraw/zinc/46/68/26/846466826.db2.gz PNRYQGUVNQBMQR-UHFFFAOYSA-N -1 0 356.447 -0.319 20 0 FBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1cccc(S(=O)(=O)CCO)c1 ZINC001260583183 846466907 /nfs/dbraw/zinc/46/69/07/846466907.db2.gz RTTXIOZYIVGHSK-UHFFFAOYSA-N -1 0 357.431 -0.804 20 0 FBADRM COC(=O)[C@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260583282 846466873 /nfs/dbraw/zinc/46/68/73/846466873.db2.gz XLXCPTCUUOQOBD-QMMMGPOBSA-N -1 0 359.422 -0.819 20 0 FBADRM COc1nc(Br)cnc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260583590 846466971 /nfs/dbraw/zinc/46/69/71/846466971.db2.gz GHFMDSTWMNICBV-UHFFFAOYSA-N -1 0 360.211 -0.009 20 0 FBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1ncnn2c(Br)ccc12 ZINC001260583704 846467044 /nfs/dbraw/zinc/46/70/44/846467044.db2.gz KQKDRDIKVSKHSQ-UHFFFAOYSA-N -1 0 369.222 -0.343 20 0 FBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1ccc(C(=O)N2CCOCC2)cn1 ZINC001260583796 846466607 /nfs/dbraw/zinc/46/66/07/846466607.db2.gz NXGWREZEVGNMON-UHFFFAOYSA-N -1 0 363.417 -0.702 20 0 FBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1ncc(Br)nc1C(N)=O ZINC001260583848 846466926 /nfs/dbraw/zinc/46/69/26/846466926.db2.gz MPCLPTPHZIAJGX-UHFFFAOYSA-N -1 0 373.210 -0.918 20 0 FBADRM CCOC(=O)c1c([N-]S(=O)(=O)CS(C)(=O)=O)nn2cccnc12 ZINC001260583915 846466819 /nfs/dbraw/zinc/46/68/19/846466819.db2.gz QIHBWDMEDLUOGT-UHFFFAOYSA-N -1 0 362.389 -0.350 20 0 FBADRM CCOC(=O)c1snc(C(N)=O)c1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260584368 846466621 /nfs/dbraw/zinc/46/66/21/846466621.db2.gz YAHDKNRSNSOKKJ-UHFFFAOYSA-N -1 0 371.418 -0.838 20 0 FBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1nonc1-c1cn2ccncc2n1 ZINC001260584607 846466852 /nfs/dbraw/zinc/46/68/52/846466852.db2.gz OMCXBCCRHBJBLG-UHFFFAOYSA-N -1 0 358.361 -0.477 20 0 FBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1ncnc2c1ncn2[C@H]1CCCO1 ZINC001260584621 846466937 /nfs/dbraw/zinc/46/69/37/846466937.db2.gz PGQGXGVEBNQWOP-MRVPVSSYSA-N -1 0 361.405 -0.121 20 0 FBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1ncnc2c1ncn2[C@@H]1CCCO1 ZINC001260584622 846467041 /nfs/dbraw/zinc/46/70/41/846467041.db2.gz PGQGXGVEBNQWOP-QMMMGPOBSA-N -1 0 361.405 -0.121 20 0 FBADRM Cc1nc([N-]S(=O)(=O)CS(C)(=O)=O)cc(N2CCOCC2)n1 ZINC001260584706 846467053 /nfs/dbraw/zinc/46/70/53/846467053.db2.gz UNGDVYPTULZOOI-UHFFFAOYSA-N -1 0 350.422 -0.635 20 0 FBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1c(C(N)=O)cnn1C1CCOCC1 ZINC001260584715 846466777 /nfs/dbraw/zinc/46/67/77/846466777.db2.gz UXANABCCAWRAQP-UHFFFAOYSA-N -1 0 366.421 -0.923 20 0 FBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1ncc(Br)cc1C(N)=O ZINC001260584741 846466996 /nfs/dbraw/zinc/46/69/96/846466996.db2.gz VZAQFELYBKKUIK-UHFFFAOYSA-N -1 0 372.222 -0.313 20 0 FBADRM COC(=O)c1cnc([N-]S(=O)(=O)CS(C)(=O)=O)c(C(=O)OC)c1 ZINC001260584832 846466881 /nfs/dbraw/zinc/46/68/81/846466881.db2.gz CDGBLGGSGQBFTQ-UHFFFAOYSA-N -1 0 366.373 -0.601 20 0 FBADRM CCOc1cc([N-]S(=O)(=O)CS(C)(=O)=O)cc(C(=O)OC)n1 ZINC001260584849 846466762 /nfs/dbraw/zinc/46/67/62/846466762.db2.gz CNNFGHWOSFJMEE-UHFFFAOYSA-N -1 0 352.390 -0.567 20 0 FBADRM CC(=O)NCCn1c2ccccc2nc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260584925 846466633 /nfs/dbraw/zinc/46/66/33/846466633.db2.gz FIJSYVYGYYHETH-UHFFFAOYSA-N -1 0 374.444 -0.084 20 0 FBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1ncc(Br)nc1CO ZINC001260585054 846466869 /nfs/dbraw/zinc/46/68/69/846466869.db2.gz MGFKQIZSUAQODQ-UHFFFAOYSA-N -1 0 360.211 -0.525 20 0 FBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1ncnn2cc(Br)cc12 ZINC001260585252 846466759 /nfs/dbraw/zinc/46/67/59/846466759.db2.gz VTJAYWBUVAMBES-UHFFFAOYSA-N -1 0 369.222 -0.343 20 0 FBADRM CS(=O)(=O)CS(=O)(=O)N1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC001260588804 846469765 /nfs/dbraw/zinc/46/97/65/846469765.db2.gz YDOQZBFRBPPMMC-UHFFFAOYSA-N -1 0 352.356 -0.539 20 0 FBADRM COc1cc(C(N)=O)c([N-]S(=O)(=O)CS(C)(=O)=O)c(F)c1OC ZINC001260590444 846470521 /nfs/dbraw/zinc/47/05/21/846470521.db2.gz CJBSKQXZYMWFCA-UHFFFAOYSA-N -1 0 370.380 -0.314 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260590542 846470350 /nfs/dbraw/zinc/47/03/50/846470350.db2.gz HPBVOGXBUHFJBP-UHFFFAOYSA-N -1 0 356.447 -0.319 20 0 FBADRM CN(C)S(=O)(=O)c1cccc([N-]S(=O)(=O)CS(C)(=O)=O)c1 ZINC001260590567 846470732 /nfs/dbraw/zinc/47/07/32/846470732.db2.gz IVCRGIWMTLZNNU-UHFFFAOYSA-N -1 0 356.447 -0.319 20 0 FBADRM CS(=O)(=O)CS(=O)(=O)[N-]c1ccc(S(=O)(=O)CCCO)cc1 ZINC001260592067 846471458 /nfs/dbraw/zinc/47/14/58/846471458.db2.gz ATMJHJDWCHMLOT-UHFFFAOYSA-N -1 0 371.458 -0.414 20 0 FBADRM COc1cc([N-]S(=O)(=O)CS(C)(=O)=O)c(C(N)=O)cc1OC ZINC001260592127 846471791 /nfs/dbraw/zinc/47/17/91/846471791.db2.gz DYLDRVIWEMJCSM-UHFFFAOYSA-N -1 0 352.390 -0.454 20 0 FBADRM COc1cc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260592511 846471642 /nfs/dbraw/zinc/47/16/42/846471642.db2.gz KMTBOHMSBWYXOO-UHFFFAOYSA-N -1 0 357.431 -0.158 20 0 FBADRM COc1cc([N-]S(=O)(=O)CS(C)(=O)=O)c(C(N)=O)c(OC)c1 ZINC001260593055 846471847 /nfs/dbraw/zinc/47/18/47/846471847.db2.gz VNKJWSKGTJIMRW-UHFFFAOYSA-N -1 0 352.390 -0.454 20 0 FBADRM CS(=O)(=O)CS(=O)(=O)[N-][C@H](CO)C(=O)OCc1ccccc1 ZINC001260594186 846471921 /nfs/dbraw/zinc/47/19/21/846471921.db2.gz JIQGFWJPBLUSTP-LLVKDONJSA-N -1 0 351.402 -0.988 20 0 FBADRM COC(=O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)CS(C)(=O)=O ZINC001260594605 846471938 /nfs/dbraw/zinc/47/19/38/846471938.db2.gz ZWDMEXXDRRKVKW-NSHDSACASA-N -1 0 351.402 -0.602 20 0 FBADRM COC(=O)[C@H]([N-]S(=O)(=O)CS(C)(=O)=O)c1cccc(OC)c1 ZINC001260595470 846473056 /nfs/dbraw/zinc/47/30/56/846473056.db2.gz YGRZIAMPFUBSGA-LLVKDONJSA-N -1 0 351.402 -0.169 20 0 FBADRM COC(=O)[C@@H]([N-]S(=O)(=O)CS(C)(=O)=O)c1cccc(OC)c1 ZINC001260595472 846472822 /nfs/dbraw/zinc/47/28/22/846472822.db2.gz YGRZIAMPFUBSGA-NSHDSACASA-N -1 0 351.402 -0.169 20 0 FBADRM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260595930 846472796 /nfs/dbraw/zinc/47/27/96/846472796.db2.gz QQFQKSKEKNUMQO-LLVKDONJSA-N -1 0 350.418 -0.523 20 0 FBADRM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260595931 846472851 /nfs/dbraw/zinc/47/28/51/846472851.db2.gz QQFQKSKEKNUMQO-NSHDSACASA-N -1 0 350.418 -0.523 20 0 FBADRM COC(=O)[C@H](COCc1ccccc1)[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260595971 846472910 /nfs/dbraw/zinc/47/29/10/846472910.db2.gz RSGWJZBFJVRMDQ-LBPRGKRZSA-N -1 0 365.429 -0.334 20 0 FBADRM COC(=O)C[C@H]([N-]S(=O)(=O)CS(C)(=O)=O)C(=O)OC(C)(C)C ZINC001260595987 846473152 /nfs/dbraw/zinc/47/31/52/846473152.db2.gz SCZFOLYKQYQLNE-QMMMGPOBSA-N -1 0 359.422 -0.819 20 0 FBADRM C[C@@H](O)[C@H]([N-]S(=O)(=O)CS(C)(=O)=O)C(=O)OCc1ccccc1 ZINC001260596005 846472898 /nfs/dbraw/zinc/47/28/98/846472898.db2.gz TUVSACFNDVTOBM-PWSUYJOCSA-N -1 0 365.429 -0.599 20 0 FBADRM Cn1c(=O)cc([N-]S(=O)(=O)CS(C)(=O)=O)n(-c2ccccc2)c1=O ZINC001260596087 846473185 /nfs/dbraw/zinc/47/31/85/846473185.db2.gz XBSZPKOSVJWDLL-UHFFFAOYSA-N -1 0 373.412 -0.720 20 0 FBADRM CS(=O)(=O)CS(=O)(=O)NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001260596716 846473102 /nfs/dbraw/zinc/47/31/02/846473102.db2.gz OPRHUYWYCZQYDN-UHFFFAOYSA-N -1 0 369.357 -0.419 20 0 FBADRM C[C@@H](O)[C@@H]([N-]S(=O)(=O)CS(C)(=O)=O)C(=O)OCc1ccccc1 ZINC001260596903 846472521 /nfs/dbraw/zinc/47/25/21/846472521.db2.gz TUVSACFNDVTOBM-ZYHUDNBSSA-N -1 0 365.429 -0.599 20 0 FBADRM COC(=O)[C@H]([N-]S(=O)(=O)CS(C)(=O)=O)c1ccccc1OC ZINC001260598305 846473794 /nfs/dbraw/zinc/47/37/94/846473794.db2.gz UNQIKVNXLNFTEW-LLVKDONJSA-N -1 0 351.402 -0.169 20 0 FBADRM COC(=O)[C@@H]([N-]S(=O)(=O)CS(C)(=O)=O)c1ccccc1OC ZINC001260598306 846474261 /nfs/dbraw/zinc/47/42/61/846474261.db2.gz UNQIKVNXLNFTEW-NSHDSACASA-N -1 0 351.402 -0.169 20 0 FBADRM COC(=O)[C@H](Cc1ccc(Cl)cn1)[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260598702 846473903 /nfs/dbraw/zinc/47/39/03/846473903.db2.gz GPOSVXFPVFTYIU-JTQLQIEISA-N -1 0 370.836 -0.259 20 0 FBADRM CS(=O)(=O)CS(=O)(=O)NCC[N-]C(=O)C(F)(F)Br ZINC001260598731 846474251 /nfs/dbraw/zinc/47/42/51/846474251.db2.gz IAFJUBDFYIDLNI-UHFFFAOYSA-N -1 0 373.197 -0.988 20 0 FBADRM Cn1ncc([N-]S(=O)(=O)CS(C)(=O)=O)c(Br)c1=O ZINC001260599027 846473604 /nfs/dbraw/zinc/47/36/04/846473604.db2.gz WCYJMBMNWQNCMC-UHFFFAOYSA-N -1 0 360.211 -0.713 20 0 FBADRM COC(=O)[C@H](Cc1ccc(C)cn1)[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260599077 846474064 /nfs/dbraw/zinc/47/40/64/846474064.db2.gz YLEDOAYQQOGSGM-NSHDSACASA-N -1 0 350.418 -0.604 20 0 FBADRM Cn1ncc(C(N)=O)c1[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001260599593 846474109 /nfs/dbraw/zinc/47/41/09/846474109.db2.gz ANKJKELEZBHRBW-UHFFFAOYSA-N -1 0 358.401 -0.277 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2nccnc2C(N)=O)c1 ZINC001260599776 846474289 /nfs/dbraw/zinc/47/42/89/846474289.db2.gz MKBUGEPKISZUPS-UHFFFAOYSA-N -1 0 356.385 -0.220 20 0 FBADRM Cn1ncc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1C(N)=O ZINC001260599893 846473952 /nfs/dbraw/zinc/47/39/52/846473952.db2.gz UJKQSVLAYHRBGP-UHFFFAOYSA-N -1 0 358.401 -0.277 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cnc(C(N)=O)nc2)c1 ZINC001260600017 846474006 /nfs/dbraw/zinc/47/40/06/846474006.db2.gz AKBMWCSZBIDWEH-UHFFFAOYSA-N -1 0 356.385 -0.220 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccnc(C(N)=O)c2)c1 ZINC001260600266 846475169 /nfs/dbraw/zinc/47/51/69/846475169.db2.gz NWVBAUVTCVRYCE-UHFFFAOYSA-N -1 0 355.397 -0.193 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cnc(C(N)=O)cn2)c1 ZINC001260600462 846475239 /nfs/dbraw/zinc/47/52/39/846475239.db2.gz ZBFRAIKEUVQSAX-UHFFFAOYSA-N -1 0 356.385 -0.220 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2SC(=O)[N-]C2=O)c1 ZINC001260607299 846475105 /nfs/dbraw/zinc/47/51/05/846475105.db2.gz PHVNMVXKAUQUMR-SECBINFHSA-N -1 0 350.399 -0.323 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2SC(=O)[N-]C2=O)c1 ZINC001260607300 846475302 /nfs/dbraw/zinc/47/53/02/846475302.db2.gz PHVNMVXKAUQUMR-VIFPVBQESA-N -1 0 350.399 -0.323 20 0 FBADRM NC(=O)c1cnc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)cn1 ZINC001260611045 846475917 /nfs/dbraw/zinc/47/59/17/846475917.db2.gz HEXQICAHCLFWOV-UHFFFAOYSA-N -1 0 362.327 -0.269 20 0 FBADRM Cn1ncc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)c1C(N)=O ZINC001260611167 846475737 /nfs/dbraw/zinc/47/57/37/846475737.db2.gz JFNMKPQTOWXLJK-UHFFFAOYSA-N -1 0 364.343 -0.326 20 0 FBADRM NC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC001260611197 846476234 /nfs/dbraw/zinc/47/62/34/846476234.db2.gz JKEDNPFPXILIQI-UHFFFAOYSA-N -1 0 362.327 -0.269 20 0 FBADRM Cn1ncc(C(N)=O)c1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC001260611222 846476205 /nfs/dbraw/zinc/47/62/05/846476205.db2.gz KNFFVIDBNDTBLZ-UHFFFAOYSA-N -1 0 364.343 -0.326 20 0 FBADRM NC(=O)c1cnoc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC001260612210 846476048 /nfs/dbraw/zinc/47/60/48/846476048.db2.gz OVUBXVIGNCWPTF-UHFFFAOYSA-N -1 0 351.300 -0.071 20 0 FBADRM NC(=O)c1ncc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)cn1 ZINC001260612782 846475799 /nfs/dbraw/zinc/47/57/99/846475799.db2.gz XKVHTWUIWAJSRI-UHFFFAOYSA-N -1 0 362.327 -0.269 20 0 FBADRM O=C1[N-]C(=O)[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)S1 ZINC001260618468 846476744 /nfs/dbraw/zinc/47/67/44/846476744.db2.gz SIJGMJAKFNGYFM-SECBINFHSA-N -1 0 356.341 -0.372 20 0 FBADRM O=C1[N-]C(=O)[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)S1 ZINC001260618469 846476875 /nfs/dbraw/zinc/47/68/75/846476875.db2.gz SIJGMJAKFNGYFM-VIFPVBQESA-N -1 0 356.341 -0.372 20 0 FBADRM O=C([O-])CCC(=O)CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC001260619638 846476905 /nfs/dbraw/zinc/47/69/05/846476905.db2.gz GIHMRDHWASGWNZ-UHFFFAOYSA-N -1 0 355.328 -0.247 20 0 FBADRM C[C@H]1[C@H](NS(=O)(=O)Cc2ccccc2F)C(=O)N1S(=O)(=O)[O-] ZINC001260629676 846477593 /nfs/dbraw/zinc/47/75/93/846477593.db2.gz VCIQNLJFERTOQE-XVKPBYJWSA-N -1 0 352.365 -0.353 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1C ZINC001260640999 846477519 /nfs/dbraw/zinc/47/75/19/846477519.db2.gz YLGRTJPOJTXVEP-KWQFWETISA-N -1 0 364.401 -0.316 20 0 FBADRM O=C([N-]CCNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)C(F)(F)F ZINC001260675100 846478383 /nfs/dbraw/zinc/47/83/83/846478383.db2.gz GVHDPPWRZPQMRH-UHFFFAOYSA-N -1 0 367.305 -0.026 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001260675658 846478176 /nfs/dbraw/zinc/47/81/76/846478176.db2.gz UZBORISFVSCZQO-VIFPVBQESA-N -1 0 372.355 -0.298 20 0 FBADRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1cnc(NC(C)=O)s1 ZINC001260708888 846479477 /nfs/dbraw/zinc/47/94/77/846479477.db2.gz HSFVOMFZXAPGFK-ZETCQYMHSA-N -1 0 365.389 -0.214 20 0 FBADRM Cc1cc(S(=O)(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)ccc1F ZINC001260762283 846480097 /nfs/dbraw/zinc/48/00/97/846480097.db2.gz FZXXKUACVWCLBW-XVKPBYJWSA-N -1 0 352.365 -0.185 20 0 FBADRM O=S(=O)([O-])CCCCN1CCN(S(=O)(=O)c2cn[nH]c2)CC1 ZINC001260960096 846482318 /nfs/dbraw/zinc/48/23/18/846482318.db2.gz QGQAPLLLVMESGN-UHFFFAOYSA-N -1 0 352.438 -0.616 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cn[nH]c2)c2nonc21 ZINC001260961680 846482406 /nfs/dbraw/zinc/48/24/06/846482406.db2.gz MFOZESQXMRVQIY-UHFFFAOYSA-N -1 0 372.388 -0.003 20 0 FBADRM COCCCO[N-]C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001261094261 846484130 /nfs/dbraw/zinc/48/41/30/846484130.db2.gz FJLAARTYYIFNSP-UHFFFAOYSA-N -1 0 355.395 -0.762 20 0 FBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001261122423 846489668 /nfs/dbraw/zinc/48/96/68/846489668.db2.gz IOJGSHVTYIHXGB-NXEZZACHSA-N -1 0 358.313 -0.077 20 0 FBADRM COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001261122424 846489369 /nfs/dbraw/zinc/48/93/69/846489369.db2.gz IOJGSHVTYIHXGB-UWVGGRQHSA-N -1 0 358.313 -0.077 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001261122425 846489464 /nfs/dbraw/zinc/48/94/64/846489464.db2.gz IOJGSHVTYIHXGB-VHSXEESVSA-N -1 0 358.313 -0.077 20 0 FBADRM COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001261122426 846489332 /nfs/dbraw/zinc/48/93/32/846489332.db2.gz IOJGSHVTYIHXGB-ZJUUUORDSA-N -1 0 358.313 -0.077 20 0 FBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC001261123556 846490678 /nfs/dbraw/zinc/49/06/78/846490678.db2.gz IJSHFEFBTVHRER-GXTWGEPZSA-N -1 0 353.419 -0.022 20 0 FBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC001261123557 846490766 /nfs/dbraw/zinc/49/07/66/846490766.db2.gz IJSHFEFBTVHRER-JSGCOSHPSA-N -1 0 353.419 -0.022 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC001261123558 846490810 /nfs/dbraw/zinc/49/08/10/846490810.db2.gz IJSHFEFBTVHRER-OCCSQVGLSA-N -1 0 353.419 -0.022 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC001261123559 846490609 /nfs/dbraw/zinc/49/06/09/846490609.db2.gz IJSHFEFBTVHRER-TZMCWYRMSA-N -1 0 353.419 -0.022 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NCC1CCN(S(=O)(=O)CC)CC1 ZINC001261132006 846491625 /nfs/dbraw/zinc/49/16/25/846491625.db2.gz VTBKKTXOQFYUQY-UHFFFAOYSA-N -1 0 365.452 -0.751 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC001261139856 846492489 /nfs/dbraw/zinc/49/24/89/846492489.db2.gz ZOTHRKSSQWZNSO-UHFFFAOYSA-N -1 0 363.436 -0.857 20 0 FBADRM O=c1nc(CNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)[n-]o1 ZINC001261200898 846510382 /nfs/dbraw/zinc/51/03/82/846510382.db2.gz MYYLMCNOCRULNU-UHFFFAOYSA-N -1 0 369.327 -0.162 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001261203987 846510561 /nfs/dbraw/zinc/51/05/61/846510561.db2.gz BLSSABNMJQNFKV-JTQLQIEISA-N -1 0 352.420 -0.225 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001261203988 846510306 /nfs/dbraw/zinc/51/03/06/846510306.db2.gz BLSSABNMJQNFKV-SNVBAGLBSA-N -1 0 352.420 -0.225 20 0 FBADRM NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)[N-]OC/C=C\Cl)c1 ZINC001261204182 846510523 /nfs/dbraw/zinc/51/05/23/846510523.db2.gz JAYXDOLKOFXYOM-DJWKRKHSSA-N -1 0 354.750 -0.360 20 0 FBADRM NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)[N-]OC/C=C/Cl)c1 ZINC001261204183 846510570 /nfs/dbraw/zinc/51/05/70/846510570.db2.gz JAYXDOLKOFXYOM-GORDUTHDSA-N -1 0 354.750 -0.360 20 0 FBADRM O=C([N-]OC/C=C/Cl)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC001261204249 846510314 /nfs/dbraw/zinc/51/03/14/846510314.db2.gz LSSWRVRINFLVAU-DAFODLJHSA-N -1 0 353.766 -0.243 20 0 FBADRM O=C([N-]OC/C=C\Cl)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC001261204250 846510452 /nfs/dbraw/zinc/51/04/52/846510452.db2.gz LSSWRVRINFLVAU-RJRFIUFISA-N -1 0 353.766 -0.243 20 0 FBADRM Cn1nnc2c1C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)cc1)CC2 ZINC001261204496 846510503 /nfs/dbraw/zinc/51/05/03/846510503.db2.gz UORPTTUILBQKOO-JTQLQIEISA-N -1 0 363.399 -0.476 20 0 FBADRM Cn1nnc2c1C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)cc1)CC2 ZINC001261204497 846510351 /nfs/dbraw/zinc/51/03/51/846510351.db2.gz UORPTTUILBQKOO-SNVBAGLBSA-N -1 0 363.399 -0.476 20 0 FBADRM Cn1nnc2c1C[C@H](C(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1)CC2 ZINC001261205140 846510265 /nfs/dbraw/zinc/51/02/65/846510265.db2.gz PZTJCGJZYJQWQK-MRVPVSSYSA-N -1 0 374.373 -0.113 20 0 FBADRM Cn1nnc2c1C[C@@H](C(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1)CC2 ZINC001261205141 846510207 /nfs/dbraw/zinc/51/02/07/846510207.db2.gz PZTJCGJZYJQWQK-QMMMGPOBSA-N -1 0 374.373 -0.113 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)Cc2ccon2)c1 ZINC001261205344 846510150 /nfs/dbraw/zinc/51/01/50/846510150.db2.gz XWVPKPGEIBLATP-UHFFFAOYSA-N -1 0 367.383 -0.012 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCCC3)CC1 ZINC001261205809 846511496 /nfs/dbraw/zinc/51/14/96/846511496.db2.gz QDTGBZIQTWCFGC-UHFFFAOYSA-N -1 0 358.420 -0.604 20 0 FBADRM CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC001261224837 846513324 /nfs/dbraw/zinc/51/33/24/846513324.db2.gz DCBOCVJISZXSRK-UHFFFAOYSA-N -1 0 362.433 -0.492 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)Cc2c(C)[nH]c3ccnn3c2=O)cnn1C ZINC001261224909 846513260 /nfs/dbraw/zinc/51/32/60/846513260.db2.gz GGTMOTFBNFXJNM-UHFFFAOYSA-N -1 0 364.387 -0.579 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001261243619 846516098 /nfs/dbraw/zinc/51/60/98/846516098.db2.gz MNLIQPFRJAHOAK-GMTAPVOTSA-N -1 0 369.461 -0.155 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001261243620 846516587 /nfs/dbraw/zinc/51/65/87/846516587.db2.gz MNLIQPFRJAHOAK-MXWKQRLJSA-N -1 0 369.461 -0.155 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001261243621 846516405 /nfs/dbraw/zinc/51/64/05/846516405.db2.gz MNLIQPFRJAHOAK-OUAUKWLOSA-N -1 0 369.461 -0.155 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001261243622 846516349 /nfs/dbraw/zinc/51/63/49/846516349.db2.gz MNLIQPFRJAHOAK-VWYCJHECSA-N -1 0 369.461 -0.155 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001261243708 846516086 /nfs/dbraw/zinc/51/60/86/846516086.db2.gz OTCILDHNFANJEL-JTQLQIEISA-N -1 0 369.461 -0.154 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001261243709 846516228 /nfs/dbraw/zinc/51/62/28/846516228.db2.gz OTCILDHNFANJEL-SNVBAGLBSA-N -1 0 369.461 -0.154 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1nnn(-c2ccn(C)n2)c1C ZINC001261243772 846516302 /nfs/dbraw/zinc/51/63/02/846516302.db2.gz QYTOKPNHWYHIFD-UHFFFAOYSA-N -1 0 372.407 -0.968 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)CC2)cc1 ZINC001261243785 846516513 /nfs/dbraw/zinc/51/65/13/846516513.db2.gz ROMQVHHBSLZNKH-LLVKDONJSA-N -1 0 353.400 -0.233 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)CC2)cc1 ZINC001261243786 846516460 /nfs/dbraw/zinc/51/64/60/846516460.db2.gz ROMQVHHBSLZNKH-NSHDSACASA-N -1 0 353.400 -0.233 20 0 FBADRM CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC001261244299 846517464 /nfs/dbraw/zinc/51/74/64/846517464.db2.gz JVJPMXKFPNFHCJ-CHWSQXEVSA-N -1 0 370.431 -0.092 20 0 FBADRM CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC001261244300 846517044 /nfs/dbraw/zinc/51/70/44/846517044.db2.gz JVJPMXKFPNFHCJ-OLZOCXBDSA-N -1 0 370.431 -0.092 20 0 FBADRM CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC001261244301 846517186 /nfs/dbraw/zinc/51/71/86/846517186.db2.gz JVJPMXKFPNFHCJ-QWHCGFSZSA-N -1 0 370.431 -0.092 20 0 FBADRM CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC001261244302 846516933 /nfs/dbraw/zinc/51/69/33/846516933.db2.gz JVJPMXKFPNFHCJ-STQMWFEESA-N -1 0 370.431 -0.092 20 0 FBADRM O=C(CCCN1C(=O)CCC1=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC001261244315 846517376 /nfs/dbraw/zinc/51/73/76/846517376.db2.gz KDQSJHJIYOCENX-UHFFFAOYSA-N -1 0 370.387 -0.600 20 0 FBADRM Cc1cc(C(=O)[N-]S(=O)(=O)C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC001261244416 846516943 /nfs/dbraw/zinc/51/69/43/846516943.db2.gz NNNGBTQVETYART-UHFFFAOYSA-N -1 0 368.415 -0.201 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)C(C)(C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC001261244665 846517320 /nfs/dbraw/zinc/51/73/20/846517320.db2.gz XJRUZALAFKQDNJ-UHFFFAOYSA-N -1 0 368.415 -0.201 20 0 FBADRM C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001261251485 846517944 /nfs/dbraw/zinc/51/79/44/846517944.db2.gz AFUKSYVPARELLJ-MRVPVSSYSA-N -1 0 365.423 -0.488 20 0 FBADRM C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001261251486 846518605 /nfs/dbraw/zinc/51/86/05/846518605.db2.gz AFUKSYVPARELLJ-QMMMGPOBSA-N -1 0 365.423 -0.488 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)[C@H]1COCCN1C(=O)OCc1ccccc1 ZINC001261277573 846518045 /nfs/dbraw/zinc/51/80/45/846518045.db2.gz CYJGNDVGEQTOGN-CYBMUJFWSA-N -1 0 371.415 -0.053 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)[C@@H]1COCCN1C(=O)OCc1ccccc1 ZINC001261277574 846518156 /nfs/dbraw/zinc/51/81/56/846518156.db2.gz CYJGNDVGEQTOGN-ZDUSSCGKSA-N -1 0 371.415 -0.053 20 0 FBADRM Cn1cccc1S(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCCC2 ZINC001261297926 846518951 /nfs/dbraw/zinc/51/89/51/846518951.db2.gz SVQHRXWWASHYCK-UHFFFAOYSA-N -1 0 353.404 -0.385 20 0 FBADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cnc2c(cnn2C)c1 ZINC001261373719 846528659 /nfs/dbraw/zinc/52/86/59/846528659.db2.gz OFDTYPXGVKZDDE-SECBINFHSA-N -1 0 369.403 -0.432 20 0 FBADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cnc2c(cnn2C)c1 ZINC001261373720 846529026 /nfs/dbraw/zinc/52/90/26/846529026.db2.gz OFDTYPXGVKZDDE-VIFPVBQESA-N -1 0 369.403 -0.432 20 0 FBADRM CC(C)CC(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC001261423163 846532064 /nfs/dbraw/zinc/53/20/64/846532064.db2.gz PUBNMWOGCAIDCN-GFCCVEGCSA-N -1 0 355.391 -0.985 20 0 FBADRM CC(C)CC(=O)N1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC001261423164 846532240 /nfs/dbraw/zinc/53/22/40/846532240.db2.gz PUBNMWOGCAIDCN-LBPRGKRZSA-N -1 0 355.391 -0.985 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N1CCC(N2CCNC2=O)CC1)C(=O)[O-] ZINC001261434936 846532986 /nfs/dbraw/zinc/53/29/86/846532986.db2.gz CFOQVQPOCXCVCK-UHFFFAOYSA-N -1 0 354.407 -0.380 20 0 FBADRM CC(C)(CCNC(=O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001261435025 846533063 /nfs/dbraw/zinc/53/30/63/846533063.db2.gz GQCDZNZGNNAYJE-JTQLQIEISA-N -1 0 363.436 -0.999 20 0 FBADRM CC(C)(CCNC(=O)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC001261435026 846532756 /nfs/dbraw/zinc/53/27/56/846532756.db2.gz GQCDZNZGNNAYJE-SNVBAGLBSA-N -1 0 363.436 -0.999 20 0 FBADRM COCC(=O)NC1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC001261435378 846532692 /nfs/dbraw/zinc/53/26/92/846532692.db2.gz SFODOFQFZIHOKI-UHFFFAOYSA-N -1 0 357.407 -0.643 20 0 FBADRM COCC[C@@H](NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)[O-] ZINC001261455228 846536652 /nfs/dbraw/zinc/53/66/52/846536652.db2.gz DZEJYVNKWZTDRB-GFCCVEGCSA-N -1 0 365.429 -0.001 20 0 FBADRM COCC[C@H](NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)[O-] ZINC001261455229 846536912 /nfs/dbraw/zinc/53/69/12/846536912.db2.gz DZEJYVNKWZTDRB-LBPRGKRZSA-N -1 0 365.429 -0.001 20 0 FBADRM O=C([O-])C[C@]1(NS(=O)(=O)C2CCS(=O)(=O)CC2)CCCOC1 ZINC001261455792 846536948 /nfs/dbraw/zinc/53/69/48/846536948.db2.gz BSZNDOBLIJMNQO-GFCCVEGCSA-N -1 0 355.434 -0.493 20 0 FBADRM O=C([O-])C[C@@]1(NS(=O)(=O)C2CCS(=O)(=O)CC2)CCCOC1 ZINC001261455793 846536617 /nfs/dbraw/zinc/53/66/17/846536617.db2.gz BSZNDOBLIJMNQO-LBPRGKRZSA-N -1 0 355.434 -0.493 20 0 FBADRM CN(CCNS(C)(=O)=O)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001261457551 846537823 /nfs/dbraw/zinc/53/78/23/846537823.db2.gz NVDVUXSQHFZPGQ-UHFFFAOYSA-N -1 0 366.417 -0.680 20 0 FBADRM CCS(=O)(=O)C1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC001261457676 846537835 /nfs/dbraw/zinc/53/78/35/846537835.db2.gz UEHBUOUKVXJUPW-UHFFFAOYSA-N -1 0 365.433 -0.445 20 0 FBADRM Cc1cccc(S(=O)(=O)N(C)CCNS(C)(=O)=O)c1C(=O)[O-] ZINC001261457747 846537429 /nfs/dbraw/zinc/53/74/29/846537429.db2.gz WXDLZZSCSJGHFO-UHFFFAOYSA-N -1 0 350.418 -0.137 20 0 FBADRM CCS(=O)(=O)C1CCN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1 ZINC001261457824 846537677 /nfs/dbraw/zinc/53/76/77/846537677.db2.gz ZKLVSVVOQRJIJZ-LLVKDONJSA-N -1 0 354.450 -0.321 20 0 FBADRM CCS(=O)(=O)C1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC001261457825 846537713 /nfs/dbraw/zinc/53/77/13/846537713.db2.gz ZKLVSVVOQRJIJZ-NSHDSACASA-N -1 0 354.450 -0.321 20 0 FBADRM O=C([O-])[C@]12CN(S(=O)(=O)C3CCS(=O)(=O)CC3)C[C@H]1COCC2 ZINC001261457911 846537599 /nfs/dbraw/zinc/53/75/99/846537599.db2.gz DBAPETFRAIADLX-GXFFZTMASA-N -1 0 367.445 -0.684 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001261459077 846538784 /nfs/dbraw/zinc/53/87/84/846538784.db2.gz XFSFOCBUNSGPJU-UHFFFAOYSA-N -1 0 352.409 -0.772 20 0 FBADRM Cn1nc(C2CC2)nc1CC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1 ZINC001261481190 846543820 /nfs/dbraw/zinc/54/38/20/846543820.db2.gz PJIASJOCMYAWAI-UHFFFAOYSA-N -1 0 369.428 -0.100 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn2c1OCCC2)[C@@H]1CCCN1C(=O)C1CC1 ZINC001261481867 846543869 /nfs/dbraw/zinc/54/38/69/846543869.db2.gz RZACOCOZZWIXTC-NSHDSACASA-N -1 0 368.415 -0.129 20 0 FBADRM CCO[C@H]1COCC[C@H]1NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001261487867 846546988 /nfs/dbraw/zinc/54/69/88/846546988.db2.gz DUWYYTBWLAYRAY-NEPJUHHUSA-N -1 0 358.391 -0.706 20 0 FBADRM CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001261487868 846546759 /nfs/dbraw/zinc/54/67/59/846546759.db2.gz DUWYYTBWLAYRAY-NWDGAFQWSA-N -1 0 358.391 -0.706 20 0 FBADRM CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001261487869 846546570 /nfs/dbraw/zinc/54/65/70/846546570.db2.gz DUWYYTBWLAYRAY-RYUDHWBXSA-N -1 0 358.391 -0.706 20 0 FBADRM CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001261487870 846546710 /nfs/dbraw/zinc/54/67/10/846546710.db2.gz DUWYYTBWLAYRAY-VXGBXAGGSA-N -1 0 358.391 -0.706 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC(NC(=O)C3CC3)CC2)C1 ZINC001261488024 846546973 /nfs/dbraw/zinc/54/69/73/846546973.db2.gz HYNUCWWRZGPQME-YPMHNXCESA-N -1 0 351.403 -0.127 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CC2)C[C@H]1C(=O)[O-] ZINC001261488051 846546895 /nfs/dbraw/zinc/54/68/95/846546895.db2.gz IPYORAKQXKXCET-CHWSQXEVSA-N -1 0 353.419 -0.463 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CC2)C[C@@H]1C(=O)[O-] ZINC001261488052 846546843 /nfs/dbraw/zinc/54/68/43/846546843.db2.gz IPYORAKQXKXCET-OLZOCXBDSA-N -1 0 353.419 -0.463 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CC2)C[C@H]1C(=O)[O-] ZINC001261488053 846546721 /nfs/dbraw/zinc/54/67/21/846546721.db2.gz IPYORAKQXKXCET-QWHCGFSZSA-N -1 0 353.419 -0.463 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CC2)C[C@@H]1C(=O)[O-] ZINC001261488054 846546736 /nfs/dbraw/zinc/54/67/36/846546736.db2.gz IPYORAKQXKXCET-STQMWFEESA-N -1 0 353.419 -0.463 20 0 FBADRM CC(C)(C)[S@@](=O)CCNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001261488323 846547096 /nfs/dbraw/zinc/54/70/96/846547096.db2.gz NXVCJZWHRCVHOX-DEOSSOPVSA-N -1 0 362.448 -0.353 20 0 FBADRM CC(C)(C)[S@](=O)CCNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001261488324 846546748 /nfs/dbraw/zinc/54/67/48/846546748.db2.gz NXVCJZWHRCVHOX-XMMPIXPASA-N -1 0 362.448 -0.353 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC001261488339 846546633 /nfs/dbraw/zinc/54/66/33/846546633.db2.gz ODTHUVSMDOBZJY-UHFFFAOYSA-N -1 0 361.420 -0.960 20 0 FBADRM CCC(=O)N1CC[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC001261488383 846547033 /nfs/dbraw/zinc/54/70/33/846547033.db2.gz PKUXWMHSXKMFQC-LLVKDONJSA-N -1 0 355.391 -0.889 20 0 FBADRM CCC(=O)N1CC[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC001261488384 846546647 /nfs/dbraw/zinc/54/66/47/846546647.db2.gz PKUXWMHSXKMFQC-NSHDSACASA-N -1 0 355.391 -0.889 20 0 FBADRM CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)NCCCC(=O)[O-])c1 ZINC001261488401 846547002 /nfs/dbraw/zinc/54/70/02/846547002.db2.gz PUCPQCVOXWZCMD-UHFFFAOYSA-N -1 0 356.400 -0.172 20 0 FBADRM CS(=O)(=O)Cc1ccccc1CNC(=O)C(=O)NCCCC(=O)[O-] ZINC001261488418 846547137 /nfs/dbraw/zinc/54/71/37/846547137.db2.gz QDPGZLFARGHYJR-UHFFFAOYSA-N -1 0 356.400 -0.172 20 0 FBADRM Cc1cnc(CCNC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)cn1 ZINC001261488516 846547487 /nfs/dbraw/zinc/54/74/87/846547487.db2.gz SILCWSUDVOXUIJ-UHFFFAOYSA-N -1 0 350.375 -0.559 20 0 FBADRM CN(C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cncn2C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001261491502 846547912 /nfs/dbraw/zinc/54/79/12/846547912.db2.gz XAMNGIZPRVDTNK-SRVKXCTJSA-N -1 0 370.431 -0.241 20 0 FBADRM CN(C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cncn2C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001261491503 846548057 /nfs/dbraw/zinc/54/80/57/846548057.db2.gz XAMNGIZPRVDTNK-WOPDTQHZSA-N -1 0 370.431 -0.241 20 0 FBADRM O=C([O-])c1cn(C2CN(C(=O)[C@@H]3COCCN3CC(F)(F)F)C2)nn1 ZINC001261501473 846551052 /nfs/dbraw/zinc/55/10/52/846551052.db2.gz BYXNOBXEOLWJLY-JTQLQIEISA-N -1 0 363.296 -0.377 20 0 FBADRM O=C([O-])c1cn(C2CN(C(=O)[C@H]3COCCN3CC(F)(F)F)C2)nn1 ZINC001261501474 846551182 /nfs/dbraw/zinc/55/11/82/846551182.db2.gz BYXNOBXEOLWJLY-SNVBAGLBSA-N -1 0 363.296 -0.377 20 0 FBADRM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001261506025 846551938 /nfs/dbraw/zinc/55/19/38/846551938.db2.gz DYOHVAKBQPDKEX-JTQLQIEISA-N -1 0 363.413 -0.212 20 0 FBADRM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001261506026 846552074 /nfs/dbraw/zinc/55/20/74/846552074.db2.gz DYOHVAKBQPDKEX-SNVBAGLBSA-N -1 0 363.413 -0.212 20 0 FBADRM O=C([O-])[C@@H](Cc1ncccn1)NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001261506215 846551853 /nfs/dbraw/zinc/55/18/53/846551853.db2.gz LIASKUCIBJIBJJ-CMPLNLGQSA-N -1 0 367.387 -0.391 20 0 FBADRM O=C([O-])[C@H](Cc1ncccn1)NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001261506216 846551895 /nfs/dbraw/zinc/55/18/95/846551895.db2.gz LIASKUCIBJIBJJ-JQWIXIFHSA-N -1 0 367.387 -0.391 20 0 FBADRM O=C([O-])[C@H](Cc1ncccn1)NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001261506217 846552189 /nfs/dbraw/zinc/55/21/89/846552189.db2.gz LIASKUCIBJIBJJ-PWSUYJOCSA-N -1 0 367.387 -0.391 20 0 FBADRM O=C([O-])[C@@H](Cc1ncccn1)NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001261506218 846551800 /nfs/dbraw/zinc/55/18/00/846551800.db2.gz LIASKUCIBJIBJJ-ZYHUDNBSSA-N -1 0 367.387 -0.391 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)N2CCC(Cn3cnnc3)CC2)cn1 ZINC001261506580 846551982 /nfs/dbraw/zinc/55/19/82/846551982.db2.gz XKJOJKGDGAEIIH-UHFFFAOYSA-N -1 0 354.392 -0.340 20 0 FBADRM Cn1nccc1[C@H](NC(=O)C(=O)Nc1cnn(CC(F)F)c1)C(=O)[O-] ZINC001261509242 846552749 /nfs/dbraw/zinc/55/27/49/846552749.db2.gz NFUARDOLPZZTJJ-JTQLQIEISA-N -1 0 356.289 -0.238 20 0 FBADRM Cn1nccc1[C@@H](NC(=O)C(=O)Nc1cnn(CC(F)F)c1)C(=O)[O-] ZINC001261509243 846552953 /nfs/dbraw/zinc/55/29/53/846552953.db2.gz NFUARDOLPZZTJJ-SNVBAGLBSA-N -1 0 356.289 -0.238 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCC3)cn1 ZINC001261510763 846552740 /nfs/dbraw/zinc/55/27/40/846552740.db2.gz KTBJEZSDIZKQEL-UHFFFAOYSA-N -1 0 351.388 -0.410 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC001261513012 846553459 /nfs/dbraw/zinc/55/34/59/846553459.db2.gz HFCJMTKIPJKFKO-UHFFFAOYSA-N -1 0 350.418 -0.423 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC001261514430 846554704 /nfs/dbraw/zinc/55/47/04/846554704.db2.gz BEKUPRKJNNPZTA-UHFFFAOYSA-N -1 0 350.253 -0.072 20 0 FBADRM CCNC(=O)c1cccc(CNC(=O)C(=O)NCC(=O)[N-]OCC)c1 ZINC001261533651 846560380 /nfs/dbraw/zinc/56/03/80/846560380.db2.gz RUBXEMYBJNJSRK-UHFFFAOYSA-N -1 0 350.375 -0.764 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(S(=O)(=O)CC)cc1 ZINC001261536208 846561237 /nfs/dbraw/zinc/56/12/37/846561237.db2.gz KJFLXHMSKLPFNP-UHFFFAOYSA-N -1 0 371.415 -0.720 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H](C[C@H](C)O)c1ccccc1 ZINC001261538717 846561443 /nfs/dbraw/zinc/56/14/43/846561443.db2.gz SZHKWRRCRHLHDD-GXTWGEPZSA-N -1 0 351.403 -0.159 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H](C[C@H](C)O)c1ccccc1 ZINC001261538718 846561612 /nfs/dbraw/zinc/56/16/12/846561612.db2.gz SZHKWRRCRHLHDD-JSGCOSHPSA-N -1 0 351.403 -0.159 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1 ZINC001261538719 846561661 /nfs/dbraw/zinc/56/16/61/846561661.db2.gz SZHKWRRCRHLHDD-OCCSQVGLSA-N -1 0 351.403 -0.159 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1 ZINC001261538720 846561430 /nfs/dbraw/zinc/56/14/30/846561430.db2.gz SZHKWRRCRHLHDD-TZMCWYRMSA-N -1 0 351.403 -0.159 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cc(OCC(F)F)ccn1 ZINC001261539976 846562118 /nfs/dbraw/zinc/56/21/18/846562118.db2.gz XJWYBIPXMRVCFO-UHFFFAOYSA-N -1 0 360.317 -0.474 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC001261543004 846564664 /nfs/dbraw/zinc/56/46/64/846564664.db2.gz AIWQAJYZUYXOHJ-CYBMUJFWSA-N -1 0 353.350 -0.091 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC001261543005 846564648 /nfs/dbraw/zinc/56/46/48/846564648.db2.gz AIWQAJYZUYXOHJ-ZDUSSCGKSA-N -1 0 353.350 -0.091 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC001261543028 846564127 /nfs/dbraw/zinc/56/41/27/846564127.db2.gz AYJUQFPRIHPSQQ-FQUUOJAGSA-N -1 0 355.435 -0.042 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC001261543029 846564202 /nfs/dbraw/zinc/56/42/02/846564202.db2.gz AYJUQFPRIHPSQQ-IGQOVBAYSA-N -1 0 355.435 -0.042 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC001261543030 846564711 /nfs/dbraw/zinc/56/47/11/846564711.db2.gz AYJUQFPRIHPSQQ-RQJABVFESA-N -1 0 355.435 -0.042 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC001261543031 846564602 /nfs/dbraw/zinc/56/46/02/846564602.db2.gz AYJUQFPRIHPSQQ-XJFOESAGSA-N -1 0 355.435 -0.042 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(c2ncccc2F)CC1 ZINC001261543113 846564312 /nfs/dbraw/zinc/56/43/12/846564312.db2.gz DXEBWHPQOSBYKF-UHFFFAOYSA-N -1 0 353.354 -0.947 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@](C(=O)OCC)(C(C)C)C1 ZINC001261543311 846564107 /nfs/dbraw/zinc/56/41/07/846564107.db2.gz KKTTYNQERSJKDV-INIZCTEOSA-N -1 0 357.407 -0.392 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@](C(=O)OCC)(C(C)C)C1 ZINC001261543312 846564420 /nfs/dbraw/zinc/56/44/20/846564420.db2.gz KKTTYNQERSJKDV-MRXNPFEDSA-N -1 0 357.407 -0.392 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001261543853 846564363 /nfs/dbraw/zinc/56/43/63/846564363.db2.gz YXBFUKMXCJUQSA-SECBINFHSA-N -1 0 354.329 -0.735 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001261543854 846564444 /nfs/dbraw/zinc/56/44/44/846564444.db2.gz YXBFUKMXCJUQSA-VIFPVBQESA-N -1 0 354.329 -0.735 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)[N-]S(=O)(=O)Cc2ccon2)CC1 ZINC001261548784 846565102 /nfs/dbraw/zinc/56/51/02/846565102.db2.gz BBCIPZJVJVXNNN-UHFFFAOYSA-N -1 0 365.433 -0.318 20 0 FBADRM Cn1cnnc1N1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1 ZINC001261554901 846566431 /nfs/dbraw/zinc/56/64/31/846566431.db2.gz QKNFIRQUBPLJFR-UHFFFAOYSA-N -1 0 352.395 -0.472 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCc1ccc(CS(C)(=O)=O)cc1)C(=O)[O-] ZINC001261555165 846566030 /nfs/dbraw/zinc/56/60/30/846566030.db2.gz XTEDJPGURVFCLA-JTQLQIEISA-N -1 0 356.400 -0.316 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCc1ccc(CS(C)(=O)=O)cc1)C(=O)[O-] ZINC001261555166 846566646 /nfs/dbraw/zinc/56/66/46/846566646.db2.gz XTEDJPGURVFCLA-SNVBAGLBSA-N -1 0 356.400 -0.316 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@]1(OCCO)CCOC1 ZINC001261580324 846569879 /nfs/dbraw/zinc/56/98/79/846569879.db2.gz OHWNUJVTGSGQRD-GFCCVEGCSA-N -1 0 366.417 -0.624 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@]1(OCCO)CCOC1 ZINC001261580325 846569773 /nfs/dbraw/zinc/56/97/73/846569773.db2.gz OHWNUJVTGSGQRD-LBPRGKRZSA-N -1 0 366.417 -0.624 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)O[C@H]2CCN(CCC(=O)OC)C2=O)co1 ZINC001261587030 846570472 /nfs/dbraw/zinc/57/04/72/846570472.db2.gz QVXOCDFRQDGDMH-JTQLQIEISA-N -1 0 374.371 -0.492 20 0 FBADRM CNS(=O)(=O)c1cc(C(=O)O[C@@H]2CCN(CCC(=O)OC)C2=O)co1 ZINC001261587031 846570458 /nfs/dbraw/zinc/57/04/58/846570458.db2.gz QVXOCDFRQDGDMH-SNVBAGLBSA-N -1 0 374.371 -0.492 20 0 FBADRM CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)cn1 ZINC001261627860 846582383 /nfs/dbraw/zinc/58/23/83/846582383.db2.gz JMFLYCZRQKQXKP-UHFFFAOYSA-N -1 0 351.363 -0.719 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NCC(=O)N2CCCC2)n1 ZINC001261630087 846583075 /nfs/dbraw/zinc/58/30/75/846583075.db2.gz AZTGCJDEKVJDQL-UHFFFAOYSA-N -1 0 351.363 -0.620 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NCCN2CCCC2=O)n1 ZINC001261630355 846583168 /nfs/dbraw/zinc/58/31/68/846583168.db2.gz KHMOOGREDHMIQO-UHFFFAOYSA-N -1 0 351.363 -0.620 20 0 FBADRM CCN1C(=S)N=NC1CCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001261630445 846583123 /nfs/dbraw/zinc/58/31/23/846583123.db2.gz MUHBXQDZJZYCKC-UHFFFAOYSA-N -1 0 364.387 -0.023 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cnc3n2CCOC3)CC1 ZINC001261630499 846583450 /nfs/dbraw/zinc/58/34/50/846583450.db2.gz OFABKWJREJKZNQ-UHFFFAOYSA-N -1 0 372.403 -0.727 20 0 FBADRM CCN(CCOCCO)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001261630540 846583253 /nfs/dbraw/zinc/58/32/53/846583253.db2.gz PGQJVLLDNIAOEH-UHFFFAOYSA-N -1 0 356.379 -0.501 20 0 FBADRM O=C([O-])CCNC(=O)C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 ZINC001261630779 846584015 /nfs/dbraw/zinc/58/40/15/846584015.db2.gz XKYXITWMZDMZDV-UHFFFAOYSA-N -1 0 369.399 -0.249 20 0 FBADRM CC(C)(C)n1nnc(CC(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)n1 ZINC001261630967 846584428 /nfs/dbraw/zinc/58/44/28/846584428.db2.gz CZDOHJAESWAGSN-UHFFFAOYSA-N -1 0 369.407 -0.545 20 0 FBADRM O=C([N-]S(=O)(=O)CCC(F)(F)F)C1(n2cnnn2)CCOCC1 ZINC001261631190 846584408 /nfs/dbraw/zinc/58/44/08/846584408.db2.gz LJRSWTNGUSXFAV-UHFFFAOYSA-N -1 0 357.314 -0.423 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CCNC(=O)C(C)(C)C)CC1 ZINC001261631210 846584544 /nfs/dbraw/zinc/58/45/44/846584544.db2.gz MBWGAXMJDOYQQW-UHFFFAOYSA-N -1 0 361.464 -0.004 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)c3cnc4n3CCOC4)cnc21 ZINC001261631353 846584690 /nfs/dbraw/zinc/58/46/90/846584690.db2.gz QMVUZAJDZAOGLV-UHFFFAOYSA-N -1 0 362.371 -0.186 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)cc2)CC1 ZINC001261631459 846584375 /nfs/dbraw/zinc/58/43/75/846584375.db2.gz UHRACJSGUXUFTR-UHFFFAOYSA-N -1 0 353.400 -0.144 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2cnn3cccnc23)CC1 ZINC001261631494 846584116 /nfs/dbraw/zinc/58/41/16/846584116.db2.gz VFIHSYQOJZJHAR-UHFFFAOYSA-N -1 0 351.388 -0.200 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)CN(C)C(C)=O ZINC001261631607 846584096 /nfs/dbraw/zinc/58/40/96/846584096.db2.gz YYJCCEZGHBNZJS-UHFFFAOYSA-N -1 0 363.417 -0.842 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2C(=O)C2CC2)CC1 ZINC001261631608 846584678 /nfs/dbraw/zinc/58/46/78/846584678.db2.gz YYUPLPDKPDHESH-AWEZNQCLSA-N -1 0 371.459 -0.156 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCOC1)C1(n2cnnn2)CCOCC1 ZINC001261631634 846584484 /nfs/dbraw/zinc/58/44/84/846584484.db2.gz ZQATWQZCTOONMS-LLVKDONJSA-N -1 0 359.408 -0.949 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCOC1)C1(n2cnnn2)CCOCC1 ZINC001261631635 846584696 /nfs/dbraw/zinc/58/46/96/846584696.db2.gz ZQATWQZCTOONMS-NSHDSACASA-N -1 0 359.408 -0.949 20 0 FBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC001261631763 846584057 /nfs/dbraw/zinc/58/40/57/846584057.db2.gz DPIMUXZXLFWYHS-LLVKDONJSA-N -1 0 360.432 -0.217 20 0 FBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC001261631764 846584699 /nfs/dbraw/zinc/58/46/99/846584699.db2.gz DPIMUXZXLFWYHS-NSHDSACASA-N -1 0 360.432 -0.217 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC001261632279 846584638 /nfs/dbraw/zinc/58/46/38/846584638.db2.gz VYEACSGZGMXLIT-UHFFFAOYSA-N -1 0 356.423 -0.669 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)Cn1nc3n(c1=O)CCCCC3)C2 ZINC001261636378 846586344 /nfs/dbraw/zinc/58/63/44/846586344.db2.gz HSTUJEKOKRUGID-BDJLRTHQSA-N -1 0 350.375 -0.669 20 0 FBADRM CN(C)C(=O)C1CCC(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])CC1 ZINC001261645834 846587791 /nfs/dbraw/zinc/58/77/91/846587791.db2.gz PXKSQTHXTVFZIS-HTAVTVPLSA-N -1 0 360.432 -0.409 20 0 FBADRM CN(C)C(=O)C1CCC(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])CC1 ZINC001261645835 846588107 /nfs/dbraw/zinc/58/81/07/846588107.db2.gz PXKSQTHXTVFZIS-MCIGGMRASA-N -1 0 360.432 -0.409 20 0 FBADRM CC(=O)N1Cc2ccc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc2C1 ZINC001261647131 846588891 /nfs/dbraw/zinc/58/88/91/846588891.db2.gz JFCCAODZQABQDR-UHFFFAOYSA-N -1 0 369.399 -0.582 20 0 FBADRM COc1ccccc1C(=O)N1CCN(CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001261647587 846588556 /nfs/dbraw/zinc/58/85/56/846588556.db2.gz ZSBLBBIVTPNKSU-UHFFFAOYSA-N -1 0 370.427 -0.048 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cnn(C)c1)OC ZINC001261648129 846588688 /nfs/dbraw/zinc/58/86/88/846588688.db2.gz SZILGDAKHQAIQY-LLVKDONJSA-N -1 0 371.419 -0.458 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cnn(C)c1)OC ZINC001261648130 846589050 /nfs/dbraw/zinc/58/90/50/846589050.db2.gz SZILGDAKHQAIQY-NSHDSACASA-N -1 0 371.419 -0.458 20 0 FBADRM CN(Cc1nnc2n1CCC2)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001261664428 846591114 /nfs/dbraw/zinc/59/11/14/846591114.db2.gz HBUHLLXMULHFSK-UHFFFAOYSA-N -1 0 351.388 -0.151 20 0 FBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001261689425 846595877 /nfs/dbraw/zinc/59/58/77/846595877.db2.gz MVOSMHOMULLVAS-MRVPVSSYSA-N -1 0 350.418 -0.455 20 0 FBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001261689426 846595954 /nfs/dbraw/zinc/59/59/54/846595954.db2.gz MVOSMHOMULLVAS-QMMMGPOBSA-N -1 0 350.418 -0.455 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](COC)c1cccc(OC)c1 ZINC001261721014 846605099 /nfs/dbraw/zinc/60/50/99/846605099.db2.gz QZRZKTVGQYPHEH-CYBMUJFWSA-N -1 0 353.375 -0.317 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](COC)c1cccc(OC)c1 ZINC001261721015 846604841 /nfs/dbraw/zinc/60/48/41/846604841.db2.gz QZRZKTVGQYPHEH-ZDUSSCGKSA-N -1 0 353.375 -0.317 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cccc2c1OC(F)(F)O2 ZINC001261721268 846604978 /nfs/dbraw/zinc/60/49/78/846604978.db2.gz XLHADAWWGJGXQE-UHFFFAOYSA-N -1 0 359.285 -0.192 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NCC1(S(C)(=O)=O)CCCCC1 ZINC001261725847 846606008 /nfs/dbraw/zinc/60/60/08/846606008.db2.gz JAMLCWHGGXMWIS-UHFFFAOYSA-N -1 0 350.437 -0.066 20 0 FBADRM CCN(CCS(C)(=O)=O)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001261735552 846609110 /nfs/dbraw/zinc/60/91/10/846609110.db2.gz JTWRPSZAXGDLTO-UHFFFAOYSA-N -1 0 350.418 -0.454 20 0 FBADRM Cn1cnnc1N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC001261746388 846611090 /nfs/dbraw/zinc/61/10/90/846611090.db2.gz IJBNSPDYIJZFNS-UHFFFAOYSA-N -1 0 366.403 -0.870 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)NCC1(CC(=O)[O-])CCOCC1 ZINC001261763200 846614073 /nfs/dbraw/zinc/61/40/73/846614073.db2.gz WFSCVULQTRDWNS-UHFFFAOYSA-N -1 0 357.407 -0.593 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCC([C@H](O)c2ccnn2C)CC1)C(=O)[O-] ZINC001261771607 846615083 /nfs/dbraw/zinc/61/50/83/846615083.db2.gz CDXFCEATUONFQT-GWCFXTLKSA-N -1 0 352.391 -0.471 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCC([C@@H](O)c2ccnn2C)CC1)C(=O)[O-] ZINC001261771608 846615199 /nfs/dbraw/zinc/61/51/99/846615199.db2.gz CDXFCEATUONFQT-GXFFZTMASA-N -1 0 352.391 -0.471 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCC([C@H](O)c2ccnn2C)CC1)C(=O)[O-] ZINC001261771609 846615270 /nfs/dbraw/zinc/61/52/70/846615270.db2.gz CDXFCEATUONFQT-MFKMUULPSA-N -1 0 352.391 -0.471 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCC([C@@H](O)c2ccnn2C)CC1)C(=O)[O-] ZINC001261771610 846614997 /nfs/dbraw/zinc/61/49/97/846614997.db2.gz CDXFCEATUONFQT-ZWNOBZJWSA-N -1 0 352.391 -0.471 20 0 FBADRM CC(C)NS(=O)(=O)N1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001261773315 846614716 /nfs/dbraw/zinc/61/47/16/846614716.db2.gz ZXXADMHCVZKSME-UHFFFAOYSA-N -1 0 368.419 -0.977 20 0 FBADRM Cn1nccc1COCC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001261782267 846616188 /nfs/dbraw/zinc/61/61/88/846616188.db2.gz BOCOOOANKYVHGO-INIZCTEOSA-N -1 0 352.391 -0.675 20 0 FBADRM Cn1nccc1COCC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001261782268 846616243 /nfs/dbraw/zinc/61/62/43/846616243.db2.gz BOCOOOANKYVHGO-MRXNPFEDSA-N -1 0 352.391 -0.675 20 0 FBADRM CN1CCC[C@@H](NC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1=O ZINC001261786540 846616150 /nfs/dbraw/zinc/61/61/50/846616150.db2.gz JSRNWDTZKXGREB-SECBINFHSA-N -1 0 351.363 -0.622 20 0 FBADRM CN1CCC[C@H](NC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1=O ZINC001261786541 846616239 /nfs/dbraw/zinc/61/62/39/846616239.db2.gz JSRNWDTZKXGREB-VIFPVBQESA-N -1 0 351.363 -0.622 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCCN2C(=O)CSC2=O)cn1 ZINC001261791163 846616749 /nfs/dbraw/zinc/61/67/49/846616749.db2.gz IBECKODFWNYKLP-UHFFFAOYSA-N -1 0 358.401 -0.122 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C(=O)NCC(F)(F)F)on1 ZINC001261793895 846617144 /nfs/dbraw/zinc/61/71/44/846617144.db2.gz YLXZPGJNFWWEHT-RXMQYKEDSA-N -1 0 359.282 -0.194 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)C(=O)NCC(F)(F)F)on1 ZINC001261793896 846616724 /nfs/dbraw/zinc/61/67/24/846616724.db2.gz YLXZPGJNFWWEHT-YFKPBYRVSA-N -1 0 359.282 -0.194 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCN2C(=O)CNC2=O)cn1 ZINC001261795968 846618414 /nfs/dbraw/zinc/61/84/14/846618414.db2.gz MOVMOWHQAWFZOG-UHFFFAOYSA-N -1 0 355.376 -0.875 20 0 FBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C)C(C)C ZINC001261813168 846623946 /nfs/dbraw/zinc/62/39/46/846623946.db2.gz KSPCKAYGSSFKGD-GFCCVEGCSA-N -1 0 370.431 -0.251 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)Cc2ccc(C(N)=O)nc2)nc1C ZINC001261814068 846624038 /nfs/dbraw/zinc/62/40/38/846624038.db2.gz ORBHDIRPCBUIAU-UHFFFAOYSA-N -1 0 351.388 -0.247 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(Cn2cncn2)c1 ZINC001261814165 846624067 /nfs/dbraw/zinc/62/40/67/846624067.db2.gz RMQKZHHBGXJOFO-UHFFFAOYSA-N -1 0 352.372 -0.051 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(Cn2ccnn2)cc1 ZINC001261814360 846624328 /nfs/dbraw/zinc/62/43/28/846624328.db2.gz ZDWFKSHVTFXHGS-UHFFFAOYSA-N -1 0 352.372 -0.051 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(=O)OC)O2)cc1 ZINC001261814515 846624182 /nfs/dbraw/zinc/62/41/82/846624182.db2.gz FEXNKADGCUKFEE-NWDGAFQWSA-N -1 0 370.383 -0.428 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)c2cn3c(n2)COCC3)c(C)nn1C ZINC001261814669 846625148 /nfs/dbraw/zinc/62/51/48/846625148.db2.gz JPYWVRHQMHAELP-UHFFFAOYSA-N -1 0 355.376 -0.417 20 0 FBADRM O=C([N-]S(=O)(=O)C1(C(F)F)CC1)C1CCC2(CC1)NC(=O)NC2=O ZINC001261816066 846625135 /nfs/dbraw/zinc/62/51/35/846625135.db2.gz XGBRJYXIRKQISR-UHFFFAOYSA-N -1 0 365.358 -0.002 20 0 FBADRM Cn1cnnc1COCC(=O)[N-]S(=O)(=O)c1csnc1Cl ZINC001261816892 846625474 /nfs/dbraw/zinc/62/54/74/846625474.db2.gz YFIRTZDLGXTSOM-UHFFFAOYSA-N -1 0 351.797 -0.053 20 0 FBADRM NS(=O)(=O)NC1CCN(C(=O)c2n[n-]c3ccccc3c2=O)CC1 ZINC001261833639 846631644 /nfs/dbraw/zinc/63/16/44/846631644.db2.gz FUUDETBKXIENHV-UHFFFAOYSA-N -1 0 351.388 -0.267 20 0 FBADRM CCn1nccc1S(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001261834235 846631638 /nfs/dbraw/zinc/63/16/38/846631638.db2.gz BVSRQLAMHDBDCD-AWEZNQCLSA-N -1 0 358.420 -0.547 20 0 FBADRM CCn1nccc1S(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001261834236 846631906 /nfs/dbraw/zinc/63/19/06/846631906.db2.gz BVSRQLAMHDBDCD-CQSZACIVSA-N -1 0 358.420 -0.547 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cn1C ZINC001261834549 846631862 /nfs/dbraw/zinc/63/18/62/846631862.db2.gz NWEZDJPMVZMCAS-AWEZNQCLSA-N -1 0 358.420 -0.721 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)cn1C ZINC001261834550 846631489 /nfs/dbraw/zinc/63/14/89/846631489.db2.gz NWEZDJPMVZMCAS-CQSZACIVSA-N -1 0 358.420 -0.721 20 0 FBADRM CO[C@@H](CS(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1)C1CC1 ZINC001261834823 846631467 /nfs/dbraw/zinc/63/14/67/846631467.db2.gz XVWZPGOXDYKAOO-DZGCQCFKSA-N -1 0 362.448 -0.398 20 0 FBADRM CO[C@H](CS(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1)C1CC1 ZINC001261834824 846631792 /nfs/dbraw/zinc/63/17/92/846631792.db2.gz XVWZPGOXDYKAOO-HIFRSBDPSA-N -1 0 362.448 -0.398 20 0 FBADRM CO[C@H](CS(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1)C1CC1 ZINC001261834825 846631823 /nfs/dbraw/zinc/63/18/23/846631823.db2.gz XVWZPGOXDYKAOO-UKRRQHHQSA-N -1 0 362.448 -0.398 20 0 FBADRM CO[C@@H](CS(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1)C1CC1 ZINC001261834826 846631900 /nfs/dbraw/zinc/63/19/00/846631900.db2.gz XVWZPGOXDYKAOO-ZFWWWQNUSA-N -1 0 362.448 -0.398 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(S(=O)(=O)C[C@H]3CCCOC3)CC2)CCOC1 ZINC001261834853 846631919 /nfs/dbraw/zinc/63/19/19/846631919.db2.gz YHPTYDUGWLHYGH-DZGCQCFKSA-N -1 0 362.448 -0.396 20 0 FBADRM O=C([O-])[C@]1(N2CCN(S(=O)(=O)C[C@@H]3CCCOC3)CC2)CCOC1 ZINC001261834854 846631735 /nfs/dbraw/zinc/63/17/35/846631735.db2.gz YHPTYDUGWLHYGH-HIFRSBDPSA-N -1 0 362.448 -0.396 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(S(=O)(=O)C[C@@H]3CCCOC3)CC2)CCOC1 ZINC001261834855 846631671 /nfs/dbraw/zinc/63/16/71/846631671.db2.gz YHPTYDUGWLHYGH-UKRRQHHQSA-N -1 0 362.448 -0.396 20 0 FBADRM O=C([O-])[C@]1(N2CCN(S(=O)(=O)C[C@H]3CCCOC3)CC2)CCOC1 ZINC001261834856 846631885 /nfs/dbraw/zinc/63/18/85/846631885.db2.gz YHPTYDUGWLHYGH-ZFWWWQNUSA-N -1 0 362.448 -0.396 20 0 FBADRM CNC(=O)CC1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC001261837710 846632554 /nfs/dbraw/zinc/63/25/54/846632554.db2.gz LVWXGGXDOUBWSQ-AAEUAGOBSA-N -1 0 353.419 -0.070 20 0 FBADRM CNC(=O)CC1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC001261837711 846632896 /nfs/dbraw/zinc/63/28/96/846632896.db2.gz LVWXGGXDOUBWSQ-DGCLKSJQSA-N -1 0 353.419 -0.070 20 0 FBADRM CNC(=O)CC1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC001261837712 846632879 /nfs/dbraw/zinc/63/28/79/846632879.db2.gz LVWXGGXDOUBWSQ-WCQYABFASA-N -1 0 353.419 -0.070 20 0 FBADRM CNC(=O)CC1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC001261837713 846632662 /nfs/dbraw/zinc/63/26/62/846632662.db2.gz LVWXGGXDOUBWSQ-YPMHNXCESA-N -1 0 353.419 -0.070 20 0 FBADRM COC(=O)N1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC001261837752 846632701 /nfs/dbraw/zinc/63/27/01/846632701.db2.gz NEJVHJFISOSTSP-NEPJUHHUSA-N -1 0 355.391 -0.144 20 0 FBADRM COC(=O)N1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC001261837753 846632922 /nfs/dbraw/zinc/63/29/22/846632922.db2.gz NEJVHJFISOSTSP-NWDGAFQWSA-N -1 0 355.391 -0.144 20 0 FBADRM COC(=O)N1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC001261837754 846632902 /nfs/dbraw/zinc/63/29/02/846632902.db2.gz NEJVHJFISOSTSP-RYUDHWBXSA-N -1 0 355.391 -0.144 20 0 FBADRM COC(=O)N1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC001261837755 846632928 /nfs/dbraw/zinc/63/29/28/846632928.db2.gz NEJVHJFISOSTSP-VXGBXAGGSA-N -1 0 355.391 -0.144 20 0 FBADRM CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC001261837853 846633019 /nfs/dbraw/zinc/63/30/19/846633019.db2.gz PNJLCYUEMYQJSU-FPMFFAJLSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)C1 ZINC001261837854 846632828 /nfs/dbraw/zinc/63/28/28/846632828.db2.gz PNJLCYUEMYQJSU-KWCYVHTRSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC001261837855 846632593 /nfs/dbraw/zinc/63/25/93/846632593.db2.gz PNJLCYUEMYQJSU-UBHSHLNASA-N -1 0 353.419 -0.070 20 0 FBADRM CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)C1 ZINC001261837856 846632742 /nfs/dbraw/zinc/63/27/42/846632742.db2.gz PNJLCYUEMYQJSU-XBFCOCLRSA-N -1 0 353.419 -0.070 20 0 FBADRM C[C@@H]1C[C@H](C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)O[C@H]1C(=O)[O-] ZINC001261843246 846634751 /nfs/dbraw/zinc/63/47/51/846634751.db2.gz AHAZNRLPSNNNSJ-XUQXVSODSA-N -1 0 353.375 -0.299 20 0 FBADRM C[C@@H]1C[C@H](C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)O[C@H]1C(=O)[O-] ZINC001261843247 846634655 /nfs/dbraw/zinc/63/46/55/846634655.db2.gz AHAZNRLPSNNNSJ-YZVYYRORSA-N -1 0 353.375 -0.299 20 0 FBADRM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CC1(C(=O)[O-])CCOCC1 ZINC001261843286 846634706 /nfs/dbraw/zinc/63/47/06/846634706.db2.gz BMTAYKSCSAAYQC-LLVKDONJSA-N -1 0 355.391 -0.889 20 0 FBADRM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CC1(C(=O)[O-])CCOCC1 ZINC001261843287 846635135 /nfs/dbraw/zinc/63/51/35/846635135.db2.gz BMTAYKSCSAAYQC-NSHDSACASA-N -1 0 355.391 -0.889 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001261843536 846635192 /nfs/dbraw/zinc/63/51/92/846635192.db2.gz KFDYJFGZOPTBLI-INIZCTEOSA-N -1 0 357.407 -0.101 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001261843537 846634859 /nfs/dbraw/zinc/63/48/59/846634859.db2.gz KFDYJFGZOPTBLI-MRXNPFEDSA-N -1 0 357.407 -0.101 20 0 FBADRM O=C([O-])[C@]1(N2CCN(C(=O)CN3CCCCCC3=O)CC2)CCOC1 ZINC001261843602 846634714 /nfs/dbraw/zinc/63/47/14/846634714.db2.gz LRSBNNOKAWJRGE-KRWDZBQOSA-N -1 0 353.419 -0.223 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(C(=O)CN3CCCCCC3=O)CC2)CCOC1 ZINC001261843603 846634788 /nfs/dbraw/zinc/63/47/88/846634788.db2.gz LRSBNNOKAWJRGE-QGZVFWFLSA-N -1 0 353.419 -0.223 20 0 FBADRM CC(C)(C)CC(=O)NCC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001261843715 846634990 /nfs/dbraw/zinc/63/49/90/846634990.db2.gz PHODFQZKTUGXKC-KRWDZBQOSA-N -1 0 355.435 -0.073 20 0 FBADRM CC(C)(C)CC(=O)NCC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001261843716 846635221 /nfs/dbraw/zinc/63/52/21/846635221.db2.gz PHODFQZKTUGXKC-QGZVFWFLSA-N -1 0 355.435 -0.073 20 0 FBADRM C[C@@H]1C[C@H](C(=O)N2CCC(C(=O)N3CCOCC3)CC2)O[C@H]1C(=O)[O-] ZINC001261843936 846635240 /nfs/dbraw/zinc/63/52/40/846635240.db2.gz WYIODVJYGBLKRK-MRVWCRGKSA-N -1 0 354.403 -0.038 20 0 FBADRM CCN1CC[C@@H](NC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1=O ZINC001261862387 846639555 /nfs/dbraw/zinc/63/95/55/846639555.db2.gz UQQLYPCWALRJMP-SECBINFHSA-N -1 0 351.363 -0.622 20 0 FBADRM CCN1CC[C@H](NC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1=O ZINC001261862388 846639771 /nfs/dbraw/zinc/63/97/71/846639771.db2.gz UQQLYPCWALRJMP-VIFPVBQESA-N -1 0 351.363 -0.622 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C3CCC3)CC2)C1 ZINC001261875112 846645167 /nfs/dbraw/zinc/64/51/67/846645167.db2.gz VHFBZNRUAOEJKV-KRWDZBQOSA-N -1 0 353.419 -0.367 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C3CCC3)CC2)C1 ZINC001261875113 846644966 /nfs/dbraw/zinc/64/49/66/846644966.db2.gz VHFBZNRUAOEJKV-QGZVFWFLSA-N -1 0 353.419 -0.367 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)C1 ZINC001261875200 846645159 /nfs/dbraw/zinc/64/51/59/846645159.db2.gz YYPZSHSGNIMQST-KBPBESRZSA-N -1 0 353.419 -0.367 20 0 FBADRM Cn1c(Cl)ncc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(N)=O ZINC001261888078 846646382 /nfs/dbraw/zinc/64/63/82/846646382.db2.gz BWAMSXZIZFJZET-BQBZGAKWSA-N -1 0 350.784 -0.587 20 0 FBADRM Cn1c(Cl)ncc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC001261888079 846646014 /nfs/dbraw/zinc/64/60/14/846646014.db2.gz BWAMSXZIZFJZET-NKWVEPMBSA-N -1 0 350.784 -0.587 20 0 FBADRM Cn1c(Cl)ncc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC001261888080 846646027 /nfs/dbraw/zinc/64/60/27/846646027.db2.gz BWAMSXZIZFJZET-RNFRBKRXSA-N -1 0 350.784 -0.587 20 0 FBADRM Cn1c(Cl)ncc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(N)=O ZINC001261888081 846646109 /nfs/dbraw/zinc/64/61/09/846646109.db2.gz BWAMSXZIZFJZET-RQJHMYQMSA-N -1 0 350.784 -0.587 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@H](CC(=O)[O-])c1ccccn1 ZINC001261888123 846646556 /nfs/dbraw/zinc/64/65/56/846646556.db2.gz DCRYGSKEPYVVDC-LLVKDONJSA-N -1 0 350.418 -0.049 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccn1 ZINC001261888124 846645965 /nfs/dbraw/zinc/64/59/65/846645965.db2.gz DCRYGSKEPYVVDC-NSHDSACASA-N -1 0 350.418 -0.049 20 0 FBADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cnc2n1CCC2 ZINC001261888549 846646078 /nfs/dbraw/zinc/64/60/78/846646078.db2.gz UGPIXTKGVISHFE-SECBINFHSA-N -1 0 363.417 -0.908 20 0 FBADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cnc2n1CCC2 ZINC001261888550 846646250 /nfs/dbraw/zinc/64/62/50/846646250.db2.gz UGPIXTKGVISHFE-VIFPVBQESA-N -1 0 363.417 -0.908 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)NCCc1nc(CC(=O)[O-])cs1 ZINC001261888623 846646071 /nfs/dbraw/zinc/64/60/71/846646071.db2.gz XLAVRFDWHSLKLE-UHFFFAOYSA-N -1 0 356.447 -0.723 20 0 FBADRM O=C([O-])CC[C@H](CN1CCOCC1)NS(=O)(=O)C[C@H]1CCCO1 ZINC001261888662 846646543 /nfs/dbraw/zinc/64/65/43/846646543.db2.gz YZNWSIDFKWTSEJ-CHWSQXEVSA-N -1 0 350.437 -0.350 20 0 FBADRM O=C([O-])CC[C@H](CN1CCOCC1)NS(=O)(=O)C[C@@H]1CCCO1 ZINC001261888663 846646393 /nfs/dbraw/zinc/64/63/93/846646393.db2.gz YZNWSIDFKWTSEJ-OLZOCXBDSA-N -1 0 350.437 -0.350 20 0 FBADRM O=C([O-])CC[C@@H](CN1CCOCC1)NS(=O)(=O)C[C@H]1CCCO1 ZINC001261888664 846645894 /nfs/dbraw/zinc/64/58/94/846645894.db2.gz YZNWSIDFKWTSEJ-QWHCGFSZSA-N -1 0 350.437 -0.350 20 0 FBADRM O=C([O-])CC[C@@H](CN1CCOCC1)NS(=O)(=O)C[C@@H]1CCCO1 ZINC001261888665 846646061 /nfs/dbraw/zinc/64/60/61/846646061.db2.gz YZNWSIDFKWTSEJ-STQMWFEESA-N -1 0 350.437 -0.350 20 0 FBADRM Cn1cc(C[C@H](NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C(=O)[O-])cn1 ZINC001261888690 846645921 /nfs/dbraw/zinc/64/59/21/846645921.db2.gz ZRSXMQMORMVBKJ-AAEUAGOBSA-N -1 0 369.403 -0.448 20 0 FBADRM Cn1cc(C[C@@H](NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C(=O)[O-])cn1 ZINC001261888691 846646363 /nfs/dbraw/zinc/64/63/63/846646363.db2.gz ZRSXMQMORMVBKJ-DGCLKSJQSA-N -1 0 369.403 -0.448 20 0 FBADRM Cn1cc(C[C@@H](NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C(=O)[O-])cn1 ZINC001261888692 846646520 /nfs/dbraw/zinc/64/65/20/846646520.db2.gz ZRSXMQMORMVBKJ-WCQYABFASA-N -1 0 369.403 -0.448 20 0 FBADRM Cn1cc(C[C@H](NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C(=O)[O-])cn1 ZINC001261888693 846646511 /nfs/dbraw/zinc/64/65/11/846646511.db2.gz ZRSXMQMORMVBKJ-YPMHNXCESA-N -1 0 369.403 -0.448 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)N2CCN(CCC(=O)[O-])CC2)cc1 ZINC001261888921 846645905 /nfs/dbraw/zinc/64/59/05/846645905.db2.gz IGGHDJNJFFRNSF-UHFFFAOYSA-N -1 0 369.443 -0.032 20 0 FBADRM COC1CCN(S(=O)(=O)NC[C@@H](Cc2cnn(C)c2)C(=O)[O-])CC1 ZINC001261889467 846646136 /nfs/dbraw/zinc/64/61/36/846646136.db2.gz ZTJXXIRTFUABNX-GFCCVEGCSA-N -1 0 360.436 -0.391 20 0 FBADRM COC1CCN(S(=O)(=O)NC[C@H](Cc2cnn(C)c2)C(=O)[O-])CC1 ZINC001261889468 846647085 /nfs/dbraw/zinc/64/70/85/846647085.db2.gz ZTJXXIRTFUABNX-LBPRGKRZSA-N -1 0 360.436 -0.391 20 0 FBADRM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)NC[C@@H]1CN2CCN1CC2 ZINC001261889832 846647325 /nfs/dbraw/zinc/64/73/25/846647325.db2.gz LVHPDIFNVJANAK-CYBMUJFWSA-N -1 0 369.443 -0.400 20 0 FBADRM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)NC[C@H]1CN2CCN1CC2 ZINC001261889833 846647070 /nfs/dbraw/zinc/64/70/70/846647070.db2.gz LVHPDIFNVJANAK-ZDUSSCGKSA-N -1 0 369.443 -0.400 20 0 FBADRM O=C(NCc1nc(C(F)(F)F)n[nH]1)C(=O)N1CCO[C@@H](C(F)F)C1 ZINC001261928032 846655020 /nfs/dbraw/zinc/65/50/20/846655020.db2.gz XQLJDVZQEGIBSE-RXMQYKEDSA-N -1 0 357.239 -0.068 20 0 FBADRM O=C(NCc1nc(C(F)(F)F)n[nH]1)C(=O)N1CCO[C@H](C(F)F)C1 ZINC001261928033 846655485 /nfs/dbraw/zinc/65/54/85/846655485.db2.gz XQLJDVZQEGIBSE-YFKPBYRVSA-N -1 0 357.239 -0.068 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCC[C@@H]1CN1CCCC1=O ZINC001261928959 846654995 /nfs/dbraw/zinc/65/49/95/846654995.db2.gz RXIHZIWRRBRAOC-GFCCVEGCSA-N -1 0 354.407 -0.826 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCC[C@H]1CN1CCCC1=O ZINC001261928960 846655373 /nfs/dbraw/zinc/65/53/73/846655373.db2.gz RXIHZIWRRBRAOC-LBPRGKRZSA-N -1 0 354.407 -0.826 20 0 FBADRM Cn1ccc(CNC(=O)C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)n1 ZINC001261951220 846659744 /nfs/dbraw/zinc/65/97/44/846659744.db2.gz YEHCMUUDHZEHJR-CYBMUJFWSA-N -1 0 361.324 -0.294 20 0 FBADRM Cn1ccc(CNC(=O)C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)n1 ZINC001261951221 846659388 /nfs/dbraw/zinc/65/93/88/846659388.db2.gz YEHCMUUDHZEHJR-ZDUSSCGKSA-N -1 0 361.324 -0.294 20 0 FBADRM CCN1CCN(C(=O)CC2CCN(C(=O)[C@H](OC)C(=O)[O-])CC2)CC1 ZINC001262158686 846682001 /nfs/dbraw/zinc/68/20/01/846682001.db2.gz SWXFQVKVXJUXQW-HNNXBMFYSA-N -1 0 355.435 -0.121 20 0 FBADRM CCN1CCN(C(=O)CC2CCN(C(=O)[C@@H](OC)C(=O)[O-])CC2)CC1 ZINC001262158687 846681515 /nfs/dbraw/zinc/68/15/15/846681515.db2.gz SWXFQVKVXJUXQW-OAHLLOKOSA-N -1 0 355.435 -0.121 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1 ZINC001262161092 846682090 /nfs/dbraw/zinc/68/20/90/846682090.db2.gz YPUOOCXEVIRUSW-UHFFFAOYSA-N -1 0 361.276 -0.378 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)CCCC(=O)[O-])CC2)cn1 ZINC001262174662 846683022 /nfs/dbraw/zinc/68/30/22/846683022.db2.gz CSEXUKAVBCLWGO-UHFFFAOYSA-N -1 0 358.420 -0.056 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N(CCC(=O)[O-])C2CCOCC2)ccn1 ZINC001262174966 846683142 /nfs/dbraw/zinc/68/31/42/846683142.db2.gz PKTGTDRESXJNIG-UHFFFAOYSA-N -1 0 357.388 -0.175 20 0 FBADRM C[C@H](C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1)N1CCN(C)CC1 ZINC001262175137 846682811 /nfs/dbraw/zinc/68/28/11/846682811.db2.gz WCBAUMVPSUXFRO-PBHICJAKSA-N -1 0 354.451 -0.990 20 0 FBADRM C[C@H](C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1)N1CCN(C)CC1 ZINC001262175138 846682765 /nfs/dbraw/zinc/68/27/65/846682765.db2.gz WCBAUMVPSUXFRO-RHSMWYFYSA-N -1 0 354.451 -0.990 20 0 FBADRM C[C@@H](C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1)N1CCN(C)CC1 ZINC001262175139 846682819 /nfs/dbraw/zinc/68/28/19/846682819.db2.gz WCBAUMVPSUXFRO-WMLDXEAASA-N -1 0 354.451 -0.990 20 0 FBADRM C[C@@H](C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1)N1CCN(C)CC1 ZINC001262175140 846683005 /nfs/dbraw/zinc/68/30/05/846683005.db2.gz WCBAUMVPSUXFRO-YOEHRIQHSA-N -1 0 354.451 -0.990 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C)[C@H]1CN(C)CCN1C ZINC001262191129 846683856 /nfs/dbraw/zinc/68/38/56/846683856.db2.gz LGSURYQSNNQIRS-NXEZZACHSA-N -1 0 362.477 -0.158 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](C)[C@@H]1CN(C)CCN1C ZINC001262191130 846683811 /nfs/dbraw/zinc/68/38/11/846683811.db2.gz LGSURYQSNNQIRS-UWVGGRQHSA-N -1 0 362.477 -0.158 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](C)[C@H]1CN(C)CCN1C ZINC001262191131 846683977 /nfs/dbraw/zinc/68/39/77/846683977.db2.gz LGSURYQSNNQIRS-VHSXEESVSA-N -1 0 362.477 -0.158 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C)[C@@H]1CN(C)CCN1C ZINC001262191132 846684355 /nfs/dbraw/zinc/68/43/55/846684355.db2.gz LGSURYQSNNQIRS-ZJUUUORDSA-N -1 0 362.477 -0.158 20 0 FBADRM CN(CC(=O)N1CCCC1)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001262203881 846686593 /nfs/dbraw/zinc/68/65/93/846686593.db2.gz FEAUIXXIOUMUFP-QWHCGFSZSA-N -1 0 351.403 -0.364 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCc1ccc(Br)cc1 ZINC001262225121 846689852 /nfs/dbraw/zinc/68/98/52/846689852.db2.gz RNZDVQBNHVHBQC-UHFFFAOYSA-N -1 0 358.192 -0.098 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC001262272504 846694327 /nfs/dbraw/zinc/69/43/27/846694327.db2.gz XKUPGCPATDRMGX-UHFFFAOYSA-N -1 0 354.329 -0.829 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCC1CCN(CC(F)(F)F)CC1 ZINC001262280189 846695095 /nfs/dbraw/zinc/69/50/95/846695095.db2.gz UEQTZCBEIFSURC-UHFFFAOYSA-N -1 0 368.356 -0.439 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1CCCN1CC(F)(F)F ZINC001262291440 846697171 /nfs/dbraw/zinc/69/71/71/846697171.db2.gz APAQODWCCVLBKO-SECBINFHSA-N -1 0 354.329 -0.687 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1CCCN1CC(F)(F)F ZINC001262291441 846697176 /nfs/dbraw/zinc/69/71/76/846697176.db2.gz APAQODWCCVLBKO-VIFPVBQESA-N -1 0 354.329 -0.687 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001262314998 846700959 /nfs/dbraw/zinc/70/09/59/846700959.db2.gz BVALOPHRPFUGHR-UHFFFAOYSA-N -1 0 368.821 -0.222 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H]1COc1ccc(F)cc1 ZINC001262315056 846701428 /nfs/dbraw/zinc/70/14/28/846701428.db2.gz CZXUXSBHXJNPEM-LBPRGKRZSA-N -1 0 353.350 -0.011 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCN(c2cc(F)ccc2F)CC1 ZINC001262315137 846701243 /nfs/dbraw/zinc/70/12/43/846701243.db2.gz FTHWCLKJQRIXSA-UHFFFAOYSA-N -1 0 356.329 -0.593 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC2(CC1)OCCc1ccsc12 ZINC001262315181 846701380 /nfs/dbraw/zinc/70/13/80/846701380.db2.gz GFSFHPOKUCETQJ-UHFFFAOYSA-N -1 0 367.427 -0.068 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC001262315502 846701530 /nfs/dbraw/zinc/70/15/30/846701530.db2.gz MOZOYVHNIQDRMI-DTORHVGOSA-N -1 0 354.329 -0.736 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC001262315942 846701088 /nfs/dbraw/zinc/70/10/88/846701088.db2.gz VNEBMVRLSANWIQ-UHFFFAOYSA-N -1 0 368.821 -0.222 20 0 FBADRM CO[N-]C(=O)Cn1nnnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001262456964 846714152 /nfs/dbraw/zinc/71/41/52/846714152.db2.gz GOFDIJGDLWTVJF-UHFFFAOYSA-N -1 0 353.333 -0.045 20 0 FBADRM CN(Cc1nncn1C)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001262493207 846721815 /nfs/dbraw/zinc/72/18/15/846721815.db2.gz ZCTROTAIKJCUCT-UHFFFAOYSA-N -1 0 367.387 -0.550 20 0 FBADRM CN1CCCN(S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)CC1 ZINC001262497127 846721907 /nfs/dbraw/zinc/72/19/07/846721907.db2.gz YBBGREGDXZVQBS-UHFFFAOYSA-N -1 0 355.416 -0.173 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)[C@@H]1CN(C)CCO1 ZINC001262543635 846736191 /nfs/dbraw/zinc/73/61/91/846736191.db2.gz GXFIDOAHHWJHST-CABNGKKXSA-N -1 0 353.419 -0.609 20 0 FBADRM C[C@H](NC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)[C@@H]1CN(C)CCO1 ZINC001262543636 846736017 /nfs/dbraw/zinc/73/60/17/846736017.db2.gz GXFIDOAHHWJHST-DEQVHRJGSA-N -1 0 353.419 -0.609 20 0 FBADRM C[C@H](NC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)[C@H]1CN(C)CCO1 ZINC001262543637 846735717 /nfs/dbraw/zinc/73/57/17/846735717.db2.gz GXFIDOAHHWJHST-SCUASFONSA-N -1 0 353.419 -0.609 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)[C@H]1CN(C)CCO1 ZINC001262543638 846735634 /nfs/dbraw/zinc/73/56/34/846735634.db2.gz GXFIDOAHHWJHST-YXCITZCRSA-N -1 0 353.419 -0.609 20 0 FBADRM CN(C)C(=O)[C@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC001263921890 846780917 /nfs/dbraw/zinc/78/09/17/846780917.db2.gz JCPHVAWCSDZQNX-JTQLQIEISA-N -1 0 355.416 -0.020 20 0 FBADRM CN(C)C(=O)[C@@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC001263921891 846780761 /nfs/dbraw/zinc/78/07/61/846780761.db2.gz JCPHVAWCSDZQNX-SNVBAGLBSA-N -1 0 355.416 -0.020 20 0 FBADRM CN1CCN(C(=O)CNC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)CC1 ZINC001263969768 846787428 /nfs/dbraw/zinc/78/74/28/846787428.db2.gz LZQCSPDKCAXEBN-UHFFFAOYSA-N -1 0 372.422 -0.299 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)CN(C)C(=O)C2CC2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001264054658 846793520 /nfs/dbraw/zinc/79/35/20/846793520.db2.gz XFOSGGAKGHRGQV-NWDGAFQWSA-N -1 0 350.423 -0.152 20 0 FBADRM CCS(=O)(=O)CC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001264100958 846802288 /nfs/dbraw/zinc/80/22/88/846802288.db2.gz NQTKJVWEZUPXKA-MNOVXSKESA-N -1 0 357.436 -0.775 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)CNC(=O)N2CCCC2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001264140520 846805839 /nfs/dbraw/zinc/80/58/39/846805839.db2.gz JBVYNROWPCOWHE-MNOVXSKESA-N -1 0 351.411 -0.605 20 0 FBADRM CCN(CC)C(=O)CN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001264150543 846808873 /nfs/dbraw/zinc/80/88/73/846808873.db2.gz HVADYDBENSRYMJ-ZJUUUORDSA-N -1 0 352.395 -0.656 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C2(S(C)(=O)=O)CCCC2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001264164732 846812229 /nfs/dbraw/zinc/81/22/29/846812229.db2.gz OFYIIZGIBFPUSR-MNOVXSKESA-N -1 0 371.463 -0.053 20 0 FBADRM CC(C)CNC(=O)CN1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001264170885 846812096 /nfs/dbraw/zinc/81/20/96/846812096.db2.gz QGVJTOBRTXBAIS-MNOVXSKESA-N -1 0 354.411 -0.960 20 0 FBADRM CCCCS(=O)(=O)CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001264177028 846813040 /nfs/dbraw/zinc/81/30/40/846813040.db2.gz XOTSABARPSNDSY-MNOVXSKESA-N -1 0 359.452 -0.196 20 0 FBADRM Cc1cc(=NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)nc2nc(C(F)(F)F)[n-]n21 ZINC001264293513 846815110 /nfs/dbraw/zinc/81/51/10/846815110.db2.gz NLTZIHUEOBVWRM-NKWVEPMBSA-N -1 0 358.280 -0.155 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)CCNC(=O)COC)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001264609700 846831505 /nfs/dbraw/zinc/83/15/05/846831505.db2.gz AEMQQFVMIVOBDR-WDEREUQCSA-N -1 0 354.411 -0.868 20 0 FBADRM CCCNC(=O)CN1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1CC ZINC001264623607 846834660 /nfs/dbraw/zinc/83/46/60/846834660.db2.gz HKMOGXOLBCOFBP-WDEREUQCSA-N -1 0 354.411 -0.815 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)CS(=O)(=O)C(C)C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001264625743 846835187 /nfs/dbraw/zinc/83/51/87/846835187.db2.gz KXXAAVBWZQTZSU-WDEREUQCSA-N -1 0 359.452 -0.197 20 0 FBADRM CC[C@H](NC(C)=O)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001264652212 846839914 /nfs/dbraw/zinc/83/99/14/846839914.db2.gz YDVSFIHNKYCGAJ-AGIUHOORSA-N -1 0 350.423 -0.295 20 0 FBADRM CC[C@@H](NC(C)=O)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001264652213 846840598 /nfs/dbraw/zinc/84/05/98/846840598.db2.gz YDVSFIHNKYCGAJ-FRRDWIJNSA-N -1 0 350.423 -0.295 20 0 FBADRM CC(C)S(=O)(=O)CC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001264658451 846841956 /nfs/dbraw/zinc/84/19/56/846841956.db2.gz MWTHLAPPWZIDPS-NEPJUHHUSA-N -1 0 371.463 -0.386 20 0 FBADRM COCCCNC(=O)CN1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H]1C ZINC001264695957 846843765 /nfs/dbraw/zinc/84/37/65/846843765.db2.gz HFEHQPDHUNKVDE-NEPJUHHUSA-N -1 0 353.423 -0.231 20 0 FBADRM CC(C)N(C)C(=O)CN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001264709041 846846194 /nfs/dbraw/zinc/84/61/94/846846194.db2.gz BWTSZIQDSCWPQD-ZJUUUORDSA-N -1 0 352.395 -0.658 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CCN1Cc1nncs1 ZINC001264709554 846848642 /nfs/dbraw/zinc/84/86/42/846848642.db2.gz ZLSPFGINDCUXKP-BDAKNGLRSA-N -1 0 365.419 -0.154 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)CCN2C(=O)CCC2=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001264710554 846848796 /nfs/dbraw/zinc/84/87/96/846848796.db2.gz NTQMIXSFNWLZNL-ZJUUUORDSA-N -1 0 350.379 -0.872 20 0 FBADRM Cn1nnc(C(=O)[N-]c2cc(S(=O)(=O)N3CCOCC3)ccc2F)n1 ZINC001265421897 846860751 /nfs/dbraw/zinc/86/07/51/846860751.db2.gz SUPXKLBQXQTGBC-UHFFFAOYSA-N -1 0 370.366 -0.378 20 0 FBADRM CN(CCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)C(=O)[C@]12C[C@H]1COC2 ZINC001267607677 836053190 /nfs/dbraw/zinc/05/31/90/836053190.db2.gz QNCVQSHZKFKCNZ-LRDDRELGSA-N -1 0 350.423 -0.877 20 0 FBADRM O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001268556541 836114231 /nfs/dbraw/zinc/11/42/31/836114231.db2.gz PVGCKONOCSWGHQ-HXNLBGINSA-N -1 0 365.312 -0.381 20 0 FBADRM O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001268556545 836114463 /nfs/dbraw/zinc/11/44/63/836114463.db2.gz PVGCKONOCSWGHQ-SZXTZRQCSA-N -1 0 365.312 -0.381 20 0 FBADRM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CC1)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001269436843 836125725 /nfs/dbraw/zinc/12/57/25/836125725.db2.gz DRVAEFISYJKHFZ-BDAKNGLRSA-N -1 0 365.312 -0.405 20 0 FBADRM C=C(Cl)C(=O)N1CCn2c(nnc2C(=O)N=c2nn[n-]n2C)C[C@H]1C ZINC001269883722 836137498 /nfs/dbraw/zinc/13/74/98/836137498.db2.gz WLWRAGIIPSEVCF-SSDOTTSWSA-N -1 0 365.785 -0.999 20 0 FBADRM C=C(Cl)C(=O)N1CCn2c(nnc2C(=O)N=c2nn[n-]n2C)C[C@@H]1C ZINC001269883723 836137582 /nfs/dbraw/zinc/13/75/82/836137582.db2.gz WLWRAGIIPSEVCF-ZETCQYMHSA-N -1 0 365.785 -0.999 20 0 FBADRM Cn1[n-]nnc1=NC(=O)C1=NO[C@@H]2CN(C(=O)CCC(F)(F)F)C[C@H]12 ZINC001270037018 836153040 /nfs/dbraw/zinc/15/30/40/836153040.db2.gz HBXQFVPZGSYVJK-NKWVEPMBSA-N -1 0 361.284 -0.874 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)CCC(F)(F)F)C2 ZINC001270038100 836152868 /nfs/dbraw/zinc/15/28/68/836152868.db2.gz PQWKMSBCQPSJHD-UHFFFAOYSA-N -1 0 358.284 -0.208 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)CC(F)(F)F)CC2 ZINC001270044729 836153802 /nfs/dbraw/zinc/15/38/02/836153802.db2.gz FPIUPLYOIIQJKB-UHFFFAOYSA-N -1 0 358.284 -0.556 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1noc2c1CN(C(=O)CC(F)(F)F)CC2 ZINC001270045237 836153157 /nfs/dbraw/zinc/15/31/57/836153157.db2.gz QELAWJBEEWSGHC-UHFFFAOYSA-N -1 0 359.268 -0.291 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CCN(C(=O)CC(F)(F)F)C2 ZINC001270045750 836152899 /nfs/dbraw/zinc/15/28/99/836152899.db2.gz XVKHEGOEXCPBDY-UHFFFAOYSA-N -1 0 358.284 -0.556 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1ccc2c(n1)CCN(C(=O)C(C)(F)F)C2 ZINC001270078029 836158168 /nfs/dbraw/zinc/15/81/68/836158168.db2.gz RVVSRDLWEGNQOL-UHFFFAOYSA-N -1 0 351.317 -0.181 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)C1CC(F)(F)C1)C2 ZINC001270117402 836164354 /nfs/dbraw/zinc/16/43/54/836164354.db2.gz PSFQRVYYSRDDJD-UHFFFAOYSA-N -1 0 352.305 -0.505 20 0 FBADRM COC(C)(C)CN1CC2(CN(C(=O)c3cc(=O)[nH]cn3)C2)OCC1=O ZINC001270239348 836179103 /nfs/dbraw/zinc/17/91/03/836179103.db2.gz LDOHRXHFOLUTNV-UHFFFAOYSA-N -1 0 350.375 -0.339 20 0 FBADRM COCCOCN1CC[C@]2(CCN(C(=O)c3cc(=O)[nH]cn3)C2)C1=O ZINC001270240386 836179422 /nfs/dbraw/zinc/17/94/22/836179422.db2.gz VNICTTTXOXCURF-INIZCTEOSA-N -1 0 350.375 -0.133 20 0 FBADRM COCCOCN1CC[C@@]2(CCN(C(=O)c3cc(=O)[nH]cn3)C2)C1=O ZINC001270240389 836179629 /nfs/dbraw/zinc/17/96/29/836179629.db2.gz VNICTTTXOXCURF-MRXNPFEDSA-N -1 0 350.375 -0.133 20 0 FBADRM CN1CC2(CN(C(=O)C([O-])(C(F)(F)F)C(F)(F)F)C2)OCC1=O ZINC001270431042 836198370 /nfs/dbraw/zinc/19/83/70/836198370.db2.gz JTRWPNWGRPMUOH-UHFFFAOYSA-N -1 0 350.215 -0.088 20 0 FBADRM CN1C(=O)COCC12CN(C(=O)C([O-])(C(F)(F)F)C(F)(F)F)C2 ZINC001270431449 836198347 /nfs/dbraw/zinc/19/83/47/836198347.db2.gz LJOVBNNVBRFGGY-UHFFFAOYSA-N -1 0 350.215 -0.088 20 0 FBADRM COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cn1nn[n-]c1=S ZINC001270545474 836211474 /nfs/dbraw/zinc/21/14/74/836211474.db2.gz ALEAFUDZUCCTIM-GHMZBOCLSA-N -1 0 368.463 -0.021 20 0 FBADRM COC(C)(C)CN1CC[C@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)C1=O ZINC001270545480 836211787 /nfs/dbraw/zinc/21/17/87/836211787.db2.gz APCOYYXGQVHKHA-HNNXBMFYSA-N -1 0 368.463 -0.162 20 0 FBADRM COC(C)(C)CN1CC[C@@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)C1=O ZINC001270545481 836212393 /nfs/dbraw/zinc/21/23/93/836212393.db2.gz APCOYYXGQVHKHA-OAHLLOKOSA-N -1 0 368.463 -0.162 20 0 FBADRM COCCOCN1CC[C@@]2(CCCN2C(=O)Cn2nn[n-]c2=S)C1=O ZINC001270545491 836212193 /nfs/dbraw/zinc/21/21/93/836212193.db2.gz ARMRJOKCVJTAGX-AWEZNQCLSA-N -1 0 370.435 -0.824 20 0 FBADRM COCCOCN1CC[C@]2(CCCN2C(=O)Cn2nn[n-]c2=S)C1=O ZINC001270545494 836212529 /nfs/dbraw/zinc/21/25/29/836212529.db2.gz ARMRJOKCVJTAGX-CQSZACIVSA-N -1 0 370.435 -0.824 20 0 FBADRM CC(C)CN1C[C@@]2(CC1=O)COCCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001270545503 836212439 /nfs/dbraw/zinc/21/24/39/836212439.db2.gz ATBNVFMRSOUHIX-HNNXBMFYSA-N -1 0 368.463 -0.305 20 0 FBADRM CC(C)CN1C[C@]2(CC1=O)COCCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001270545506 836212459 /nfs/dbraw/zinc/21/24/59/836212459.db2.gz ATBNVFMRSOUHIX-OAHLLOKOSA-N -1 0 368.463 -0.305 20 0 FBADRM CC[C@H](C)N1C[C@@]2(F)CN(C(=O)Cn3nn[n-]c3=S)C[C@@]2(F)C1=O ZINC001270545533 836212410 /nfs/dbraw/zinc/21/24/10/836212410.db2.gz BDAFOXDCLHERTB-AQUOVQTQSA-N -1 0 360.390 -0.139 20 0 FBADRM CC[C@@H](C)N1C[C@@]2(F)CN(C(=O)Cn3nn[n-]c3=S)C[C@@]2(F)C1=O ZINC001270545540 836212303 /nfs/dbraw/zinc/21/23/03/836212303.db2.gz BDAFOXDCLHERTB-OXHMUOHRSA-N -1 0 360.390 -0.139 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCC2(C[C@H]2C(=O)NC2COC2)CC1 ZINC001270545603 836212336 /nfs/dbraw/zinc/21/23/36/836212336.db2.gz CAOSAZWCGLQWGU-JTQLQIEISA-N -1 0 352.420 -0.895 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCC2(C[C@@H]2C(=O)NC2COC2)CC1 ZINC001270545605 836212242 /nfs/dbraw/zinc/21/22/42/836212242.db2.gz CAOSAZWCGLQWGU-SNVBAGLBSA-N -1 0 352.420 -0.895 20 0 FBADRM CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cn1nn[n-]c1=S ZINC001270545611 836212276 /nfs/dbraw/zinc/21/22/76/836212276.db2.gz CDAQCELOSTXCMR-FBIMIBRVSA-N -1 0 352.420 -0.469 20 0 FBADRM CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cn1nn[n-]c1=S ZINC001270545614 836212479 /nfs/dbraw/zinc/21/24/79/836212479.db2.gz CDAQCELOSTXCMR-JMJZKYOTSA-N -1 0 352.420 -0.469 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cnoc1 ZINC001270545616 836212134 /nfs/dbraw/zinc/21/21/34/836212134.db2.gz CDGHJWLKGZERIX-GHMZBOCLSA-N -1 0 363.403 -0.258 20 0 FBADRM CC(=O)[C@H](C)N1CCC2(CCN(C(=O)Cn3nn[n-]c3=S)CC2)C1=O ZINC001270545618 836212403 /nfs/dbraw/zinc/21/24/03/836212403.db2.gz CDJQLLUIMLVTPR-JTQLQIEISA-N -1 0 366.447 -0.220 20 0 FBADRM CC(=O)[C@@H](C)N1CCC2(CCN(C(=O)Cn3nn[n-]c3=S)CC2)C1=O ZINC001270545620 836212262 /nfs/dbraw/zinc/21/22/62/836212262.db2.gz CDJQLLUIMLVTPR-SNVBAGLBSA-N -1 0 366.447 -0.220 20 0 FBADRM COCCCN1CCC2(CCN(C(=O)Cn3nn[n-]c3=S)CC2)C1=O ZINC001270545622 836212254 /nfs/dbraw/zinc/21/22/54/836212254.db2.gz CDLQQPZKUADFJM-UHFFFAOYSA-N -1 0 368.463 -0.161 20 0 FBADRM COCCCN1CC[C@@]2(CCCN2C(=O)Cn2nn[n-]c2=S)C1=O ZINC001270545753 836212203 /nfs/dbraw/zinc/21/22/03/836212203.db2.gz CWASOWXMRWFHQH-AWEZNQCLSA-N -1 0 354.436 -0.408 20 0 FBADRM COCCCN1CC[C@]2(CCCN2C(=O)Cn2nn[n-]c2=S)C1=O ZINC001270545755 836212522 /nfs/dbraw/zinc/21/25/22/836212522.db2.gz CWASOWXMRWFHQH-CQSZACIVSA-N -1 0 354.436 -0.408 20 0 FBADRM COC(CN1CC[C@@]2(CCCN2C(=O)Cn2nn[n-]c2=S)C1=O)OC ZINC001270545764 836212538 /nfs/dbraw/zinc/21/25/38/836212538.db2.gz DFVZNJZCMPWSMQ-AWEZNQCLSA-N -1 0 370.435 -0.826 20 0 FBADRM COC(CN1CC[C@]2(CCCN2C(=O)Cn2nn[n-]c2=S)C1=O)OC ZINC001270545766 836212416 /nfs/dbraw/zinc/21/24/16/836212416.db2.gz DFVZNJZCMPWSMQ-CQSZACIVSA-N -1 0 370.435 -0.826 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCC2(CCC(=O)N(C3COC3)C2)CC1 ZINC001270545773 836212322 /nfs/dbraw/zinc/21/23/22/836212322.db2.gz DLGPODYCBLJWEW-UHFFFAOYSA-N -1 0 366.447 -0.408 20 0 FBADRM COCCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cn1nn[n-]c1=S ZINC001270545827 836212371 /nfs/dbraw/zinc/21/23/71/836212371.db2.gz FFTYVRYHCCPAIX-GHMZBOCLSA-N -1 0 354.436 -0.410 20 0 FBADRM CCOCCN1CC[C@@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)C1=O ZINC001270545838 836212159 /nfs/dbraw/zinc/21/21/59/836212159.db2.gz FMMZBRRUFQNTHX-AWEZNQCLSA-N -1 0 354.436 -0.551 20 0 FBADRM CCOCCN1CC[C@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)C1=O ZINC001270545839 836212069 /nfs/dbraw/zinc/21/20/69/836212069.db2.gz FMMZBRRUFQNTHX-CQSZACIVSA-N -1 0 354.436 -0.551 20 0 FBADRM CCCCN1C[C@@]2(F)CN(C(=O)Cn3nn[n-]c3=S)C[C@@]2(F)C1=O ZINC001270545850 836212188 /nfs/dbraw/zinc/21/21/88/836212188.db2.gz FQHDVHVJKGXJTL-CHWSQXEVSA-N -1 0 360.390 -0.137 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCCC[C@@]12CC(=O)N(C1COC1)C2 ZINC001270545860 836212425 /nfs/dbraw/zinc/21/24/25/836212425.db2.gz FVOUHBAITZWUOE-AWEZNQCLSA-N -1 0 352.420 -0.656 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCCC[C@]12CC(=O)N(C1COC1)C2 ZINC001270545861 836212120 /nfs/dbraw/zinc/21/21/20/836212120.db2.gz FVOUHBAITZWUOE-CQSZACIVSA-N -1 0 352.420 -0.656 20 0 FBADRM CC(C)CN1C[C@@]2(F)CN(C(=O)Cn3nn[n-]c3=S)C[C@@]2(F)C1=O ZINC001270545983 836212451 /nfs/dbraw/zinc/21/24/51/836212451.db2.gz GVSBQJVKDXIVGQ-CHWSQXEVSA-N -1 0 360.390 -0.281 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC[C@@]2(CCN(CC(F)(F)F)C2=O)C1 ZINC001270545987 836212081 /nfs/dbraw/zinc/21/20/81/836212081.db2.gz GVVOHHUPEOINAH-LLVKDONJSA-N -1 0 364.353 -0.025 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC[C@]2(CCN(CC(F)(F)F)C2=O)C1 ZINC001270545991 836212259 /nfs/dbraw/zinc/21/22/59/836212259.db2.gz GVVOHHUPEOINAH-NSHDSACASA-N -1 0 364.353 -0.025 20 0 FBADRM CC(=O)[C@H](C)N1CC[C@@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)C1=O ZINC001270546064 836212104 /nfs/dbraw/zinc/21/21/04/836212104.db2.gz HOCYZIFIMQAYOD-LKFCYVNXSA-N -1 0 352.420 -0.610 20 0 FBADRM CC(=O)[C@@H](C)N1CC[C@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)C1=O ZINC001270546067 836212221 /nfs/dbraw/zinc/21/22/21/836212221.db2.gz HOCYZIFIMQAYOD-OTYXRUKQSA-N -1 0 352.420 -0.610 20 0 FBADRM CC(=O)[C@H](C)N1CC[C@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)C1=O ZINC001270546070 836212295 /nfs/dbraw/zinc/21/22/95/836212295.db2.gz HOCYZIFIMQAYOD-XPTSAGLGSA-N -1 0 352.420 -0.610 20 0 FBADRM CC(=O)[C@@H](C)N1CC[C@@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)C1=O ZINC001270546073 836212362 /nfs/dbraw/zinc/21/23/62/836212362.db2.gz HOCYZIFIMQAYOD-YMTOWFKASA-N -1 0 352.420 -0.610 20 0 FBADRM CC(C)CN1C[C@@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)OCC1=O ZINC001270546085 836212355 /nfs/dbraw/zinc/21/23/55/836212355.db2.gz HWUFIBZWSKHPHL-AWEZNQCLSA-N -1 0 354.436 -0.552 20 0 FBADRM CC(C)CN1C[C@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)OCC1=O ZINC001270546088 836212285 /nfs/dbraw/zinc/21/22/85/836212285.db2.gz HWUFIBZWSKHPHL-CQSZACIVSA-N -1 0 354.436 -0.552 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCC[C@@]12CCN(Cc1cnoc1)C2=O ZINC001270546156 836212499 /nfs/dbraw/zinc/21/24/99/836212499.db2.gz IEWHPCORILUHNL-AWEZNQCLSA-N -1 0 363.403 -0.257 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCC[C@]12CCN(Cc1cnoc1)C2=O ZINC001270546161 836212547 /nfs/dbraw/zinc/21/25/47/836212547.db2.gz IEWHPCORILUHNL-CQSZACIVSA-N -1 0 363.403 -0.257 20 0 FBADRM COCCCN1CC[C@@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)C1=O ZINC001270546462 836211561 /nfs/dbraw/zinc/21/15/61/836211561.db2.gz KZRNZSHEEOLWFZ-AWEZNQCLSA-N -1 0 354.436 -0.551 20 0 FBADRM COCCCN1CC[C@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)C1=O ZINC001270546464 836211496 /nfs/dbraw/zinc/21/14/96/836211496.db2.gz KZRNZSHEEOLWFZ-CQSZACIVSA-N -1 0 354.436 -0.551 20 0 FBADRM CC(=O)[C@H](C)N1CC[C@]2(CCCN2C(=O)Cn2nn[n-]c2=S)C1=O ZINC001270546473 836211843 /nfs/dbraw/zinc/21/18/43/836211843.db2.gz LBRCKAVACSBERF-LKFCYVNXSA-N -1 0 352.420 -0.467 20 0 FBADRM CC(=O)[C@@H](C)N1CC[C@@]2(CCCN2C(=O)Cn2nn[n-]c2=S)C1=O ZINC001270546476 836211748 /nfs/dbraw/zinc/21/17/48/836211748.db2.gz LBRCKAVACSBERF-OTYXRUKQSA-N -1 0 352.420 -0.467 20 0 FBADRM CC(=O)[C@H](C)N1CC[C@@]2(CCCN2C(=O)Cn2nn[n-]c2=S)C1=O ZINC001270546478 836211543 /nfs/dbraw/zinc/21/15/43/836211543.db2.gz LBRCKAVACSBERF-XPTSAGLGSA-N -1 0 352.420 -0.467 20 0 FBADRM CC(=O)[C@@H](C)N1CC[C@]2(CCCN2C(=O)Cn2nn[n-]c2=S)C1=O ZINC001270546481 836211854 /nfs/dbraw/zinc/21/18/54/836211854.db2.gz LBRCKAVACSBERF-YMTOWFKASA-N -1 0 352.420 -0.467 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC[C@@]2(C1)CN(CC(F)F)C(=O)CO2 ZINC001270546493 836211665 /nfs/dbraw/zinc/21/16/65/836211665.db2.gz LDRVSEKXKIYDAI-GFCCVEGCSA-N -1 0 362.362 -0.943 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC[C@]2(C1)CN(CC(F)F)C(=O)CO2 ZINC001270546508 836211721 /nfs/dbraw/zinc/21/17/21/836211721.db2.gz LDRVSEKXKIYDAI-LBPRGKRZSA-N -1 0 362.362 -0.943 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC[C@]2(C1)CN(C1CCCC1)C(=O)CO2 ZINC001270546529 836211802 /nfs/dbraw/zinc/21/18/02/836211802.db2.gz LLRNVVSFUIJFJL-HNNXBMFYSA-N -1 0 366.447 -0.266 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC[C@@]2(C1)CN(C1CCCC1)C(=O)CO2 ZINC001270546531 836211572 /nfs/dbraw/zinc/21/15/72/836211572.db2.gz LLRNVVSFUIJFJL-OAHLLOKOSA-N -1 0 366.447 -0.266 20 0 FBADRM CCOCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cn1nn[n-]c1=S ZINC001270546533 836211655 /nfs/dbraw/zinc/21/16/55/836211655.db2.gz LPAJRVPLWBSOBO-GHMZBOCLSA-N -1 0 354.436 -0.410 20 0 FBADRM COCCCN1C[C@@]2(CC1=O)CCCCN2C(=O)Cn1nn[n-]c1=S ZINC001270546830 836212343 /nfs/dbraw/zinc/21/23/43/836212343.db2.gz MCFIIDUHSYFNKD-HNNXBMFYSA-N -1 0 368.463 -0.018 20 0 FBADRM COCCCN1C[C@]2(CC1=O)CCCCN2C(=O)Cn1nn[n-]c1=S ZINC001270546831 836212173 /nfs/dbraw/zinc/21/21/73/836212173.db2.gz MCFIIDUHSYFNKD-OAHLLOKOSA-N -1 0 368.463 -0.018 20 0 FBADRM CC[C@@H](C)N1C[C@@]2(CC1=O)COCCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001270546857 836212315 /nfs/dbraw/zinc/21/23/15/836212315.db2.gz MTDJYIYWJOKUKY-ABAIWWIYSA-N -1 0 368.463 -0.162 20 0 FBADRM CC[C@@H](C)N1C[C@]2(CC1=O)COCCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001270546858 836212492 /nfs/dbraw/zinc/21/24/92/836212492.db2.gz MTDJYIYWJOKUKY-IAQYHMDHSA-N -1 0 368.463 -0.162 20 0 FBADRM CC[C@H](C)N1C[C@@]2(CC1=O)COCCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001270546859 836212151 /nfs/dbraw/zinc/21/21/51/836212151.db2.gz MTDJYIYWJOKUKY-NHYWBVRUSA-N -1 0 368.463 -0.162 20 0 FBADRM CC[C@H](C)N1C[C@]2(CC1=O)COCCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001270546860 836212246 /nfs/dbraw/zinc/21/22/46/836212246.db2.gz MTDJYIYWJOKUKY-XHDPSFHLSA-N -1 0 368.463 -0.162 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC2(C1)COCC(=O)N2C1CCCC1 ZINC001270546884 836212229 /nfs/dbraw/zinc/21/22/29/836212229.db2.gz NQVCLEIWSSCGGK-UHFFFAOYSA-N -1 0 352.420 -0.656 20 0 FBADRM COCCOCN1CC[C@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)C1=O ZINC001270546901 836212350 /nfs/dbraw/zinc/21/23/50/836212350.db2.gz OBBIDEIKBQQQFT-AWEZNQCLSA-N -1 0 370.435 -0.967 20 0 FBADRM COCCOCN1CC[C@@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)C1=O ZINC001270546903 836212236 /nfs/dbraw/zinc/21/22/36/836212236.db2.gz OBBIDEIKBQQQFT-CQSZACIVSA-N -1 0 370.435 -0.967 20 0 FBADRM CCOCCNC(=O)[C@H]1CC12CCN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001270546905 836212181 /nfs/dbraw/zinc/21/21/81/836212181.db2.gz OBJQIHWANQJATB-LLVKDONJSA-N -1 0 368.463 -0.257 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC2(C1)CN(CC1CCCC1)C(=O)CO2 ZINC001270546906 836212484 /nfs/dbraw/zinc/21/24/84/836212484.db2.gz IFYYWFKUEAIVEQ-UHFFFAOYSA-N -1 0 366.447 -0.408 20 0 FBADRM CCOCCNC(=O)[C@@H]1CC12CCN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001270546907 836212471 /nfs/dbraw/zinc/21/24/71/836212471.db2.gz OBJQIHWANQJATB-NSHDSACASA-N -1 0 368.463 -0.257 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCC2(C[C@@H]2C(=O)NCC(F)F)CC1 ZINC001270546979 836212863 /nfs/dbraw/zinc/21/28/63/836212863.db2.gz OTPGIMDNKPDBKX-MRVPVSSYSA-N -1 0 360.390 -0.028 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCC2(C[C@H]2C(=O)NCC(F)F)CC1 ZINC001270546981 836212926 /nfs/dbraw/zinc/21/29/26/836212926.db2.gz OTPGIMDNKPDBKX-QMMMGPOBSA-N -1 0 360.390 -0.028 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCC[C@@]2(CC(=O)N(CC(F)F)C2=O)C1 ZINC001270547165 836213174 /nfs/dbraw/zinc/21/31/74/836213174.db2.gz OYKOGHQCYKAQEE-CYBMUJFWSA-N -1 0 374.373 -0.405 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCC[C@]2(CC(=O)N(CC(F)F)C2=O)C1 ZINC001270547168 836213076 /nfs/dbraw/zinc/21/30/76/836213076.db2.gz OYKOGHQCYKAQEE-ZDUSSCGKSA-N -1 0 374.373 -0.405 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1C[C@@]2(F)C(=O)N(CC(F)F)C[C@@]2(F)C1 ZINC001270547172 836212990 /nfs/dbraw/zinc/21/29/90/836212990.db2.gz PBFQKWVXTWMPAP-GHMZBOCLSA-N -1 0 368.316 -0.672 20 0 FBADRM CCOCCN1CC[C@@]2(CCCN2C(=O)Cn2nn[n-]c2=S)C1=O ZINC001270547198 836213001 /nfs/dbraw/zinc/21/30/01/836213001.db2.gz PGXZXZITJRQSIF-AWEZNQCLSA-N -1 0 354.436 -0.408 20 0 FBADRM CCOCCN1CC[C@]2(CCCN2C(=O)Cn2nn[n-]c2=S)C1=O ZINC001270547200 836213116 /nfs/dbraw/zinc/21/31/16/836213116.db2.gz PGXZXZITJRQSIF-CQSZACIVSA-N -1 0 354.436 -0.408 20 0 FBADRM COC(CN1CC[C@@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)C1=O)OC ZINC001270547257 836212981 /nfs/dbraw/zinc/21/29/81/836212981.db2.gz QGJDRXABMHFWDI-AWEZNQCLSA-N -1 0 370.435 -0.968 20 0 FBADRM COC(CN1CC[C@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)C1=O)OC ZINC001270547259 836213182 /nfs/dbraw/zinc/21/31/82/836213182.db2.gz QGJDRXABMHFWDI-CQSZACIVSA-N -1 0 370.435 -0.968 20 0 FBADRM CC(C)=CCN1C[C@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)OCC1=O ZINC001270547289 836212804 /nfs/dbraw/zinc/21/28/04/836212804.db2.gz QPWPDCIJRVHCAR-HNNXBMFYSA-N -1 0 366.447 -0.242 20 0 FBADRM CC(C)=CCN1C[C@@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)OCC1=O ZINC001270547291 836213063 /nfs/dbraw/zinc/21/30/63/836213063.db2.gz QPWPDCIJRVHCAR-OAHLLOKOSA-N -1 0 366.447 -0.242 20 0 FBADRM COC(CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cn1nn[n-]c1=S)OC ZINC001270547307 836212888 /nfs/dbraw/zinc/21/28/88/836212888.db2.gz QXBPHRSBJUJRMX-NXEZZACHSA-N -1 0 370.435 -0.827 20 0 FBADRM COC(C)(C)CN1CC[C@@]2(CCCN2C(=O)Cn2nn[n-]c2=S)C1=O ZINC001270547339 836213206 /nfs/dbraw/zinc/21/32/06/836213206.db2.gz RHXFZUNFDWWYJB-HNNXBMFYSA-N -1 0 368.463 -0.020 20 0 FBADRM COC(C)(C)CN1CC[C@]2(CCCN2C(=O)Cn2nn[n-]c2=S)C1=O ZINC001270547341 836213145 /nfs/dbraw/zinc/21/31/45/836213145.db2.gz RHXFZUNFDWWYJB-OAHLLOKOSA-N -1 0 368.463 -0.020 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC2(C1)COCC(=O)N2CC1CCCC1 ZINC001270547395 836212874 /nfs/dbraw/zinc/21/28/74/836212874.db2.gz LZNKEGPQRRDTAP-UHFFFAOYSA-N -1 0 366.447 -0.408 20 0 FBADRM COCCOCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cn1nn[n-]c1=S ZINC001270547535 836212986 /nfs/dbraw/zinc/21/29/86/836212986.db2.gz RNBIRULUXUYWNM-GHMZBOCLSA-N -1 0 370.435 -0.826 20 0 FBADRM CC(C)=CCN1C(=O)COCC12CN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001270547552 836212958 /nfs/dbraw/zinc/21/29/58/836212958.db2.gz RVGIIJYHINSILA-UHFFFAOYSA-N -1 0 352.420 -0.632 20 0 FBADRM CC(=O)[C@@H](C)N1C[C@@]2(F)CN(C(=O)Cn3nn[n-]c3=S)C[C@@]2(F)C1=O ZINC001270547633 836213085 /nfs/dbraw/zinc/21/30/85/836213085.db2.gz UJYMNIXBTCOXFG-HYJLZEBJSA-N -1 0 374.373 -0.960 20 0 FBADRM CC(=O)[C@H](C)N1C[C@@]2(F)CN(C(=O)Cn3nn[n-]c3=S)C[C@@]2(F)C1=O ZINC001270547635 836212935 /nfs/dbraw/zinc/21/29/35/836212935.db2.gz UJYMNIXBTCOXFG-WCDAPOTHSA-N -1 0 374.373 -0.960 20 0 FBADRM CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2C(=O)Cn1nn[n-]c1=S ZINC001270547639 836213163 /nfs/dbraw/zinc/21/31/63/836213163.db2.gz UMHAJUMVIQNJHL-BMIGLBTASA-N -1 0 366.447 -0.077 20 0 FBADRM CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCCN2C(=O)Cn1nn[n-]c1=S ZINC001270547640 836213068 /nfs/dbraw/zinc/21/30/68/836213068.db2.gz UMHAJUMVIQNJHL-BONVTDFDSA-N -1 0 366.447 -0.077 20 0 FBADRM CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCCN2C(=O)Cn1nn[n-]c1=S ZINC001270547642 836212992 /nfs/dbraw/zinc/21/29/92/836212992.db2.gz UMHAJUMVIQNJHL-MEBBXXQBSA-N -1 0 366.447 -0.077 20 0 FBADRM CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCCN2C(=O)Cn1nn[n-]c1=S ZINC001270547643 836213057 /nfs/dbraw/zinc/21/30/57/836213057.db2.gz UMHAJUMVIQNJHL-ZUZCIYMTSA-N -1 0 366.447 -0.077 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC2(C1)CN(C1CCCC1)C(=O)CO2 ZINC001270547670 836212790 /nfs/dbraw/zinc/21/27/90/836212790.db2.gz UTNOACOFCUKMAP-UHFFFAOYSA-N -1 0 352.420 -0.656 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC[C@@]2(CCN(Cc3cnoc3)C2=O)C1 ZINC001270547714 836212763 /nfs/dbraw/zinc/21/27/63/836212763.db2.gz VQKIWPHYMXYOTF-AWEZNQCLSA-N -1 0 363.403 -0.399 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC[C@]2(CCN(Cc3cnoc3)C2=O)C1 ZINC001270547716 836213167 /nfs/dbraw/zinc/21/31/67/836213167.db2.gz VQKIWPHYMXYOTF-CQSZACIVSA-N -1 0 363.403 -0.399 20 0 FBADRM CCOCCN1CCC2(CCN(C(=O)Cn3nn[n-]c3=S)CC2)C1=O ZINC001270547931 836213192 /nfs/dbraw/zinc/21/31/92/836213192.db2.gz VXTHGNPUGJJFCF-UHFFFAOYSA-N -1 0 368.463 -0.161 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCC[C@@]2(CCN(C3COC3)C2=O)CC1 ZINC001270547942 836213103 /nfs/dbraw/zinc/21/31/03/836213103.db2.gz WFACKXZUYOCPPU-HNNXBMFYSA-N -1 0 366.447 -0.408 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCC[C@]2(CCN(C3COC3)C2=O)CC1 ZINC001270547943 836213200 /nfs/dbraw/zinc/21/32/00/836213200.db2.gz WFACKXZUYOCPPU-OAHLLOKOSA-N -1 0 366.447 -0.408 20 0 FBADRM CCCCN1C[C@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)OCC1=O ZINC001270547949 836213121 /nfs/dbraw/zinc/21/31/21/836213121.db2.gz WMIZLQOMXVBFFC-AWEZNQCLSA-N -1 0 354.436 -0.408 20 0 FBADRM CCCCN1C[C@@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)OCC1=O ZINC001270547950 836212827 /nfs/dbraw/zinc/21/28/27/836212827.db2.gz WMIZLQOMXVBFFC-CQSZACIVSA-N -1 0 354.436 -0.408 20 0 FBADRM CCOCCN1C[C@@]2(CC1=O)CCCCN2C(=O)Cn1nn[n-]c1=S ZINC001270547954 836213008 /nfs/dbraw/zinc/21/30/08/836213008.db2.gz WTHQZOKHYAWZHI-HNNXBMFYSA-N -1 0 368.463 -0.018 20 0 FBADRM CCOCCN1C[C@]2(CC1=O)CCCCN2C(=O)Cn1nn[n-]c1=S ZINC001270547955 836212973 /nfs/dbraw/zinc/21/29/73/836212973.db2.gz WTHQZOKHYAWZHI-OAHLLOKOSA-N -1 0 368.463 -0.018 20 0 FBADRM CC[C@H](C)N1C[C@@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)OCC1=O ZINC001270547964 836213178 /nfs/dbraw/zinc/21/31/78/836213178.db2.gz XBYVJGBROQNWTG-HZMBPMFUSA-N -1 0 354.436 -0.410 20 0 FBADRM CC[C@H](C)N1C[C@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)OCC1=O ZINC001270547965 836212815 /nfs/dbraw/zinc/21/28/15/836212815.db2.gz XBYVJGBROQNWTG-IINYFYTJSA-N -1 0 354.436 -0.410 20 0 FBADRM CC[C@@H](C)N1C[C@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)OCC1=O ZINC001270547966 836213138 /nfs/dbraw/zinc/21/31/38/836213138.db2.gz XBYVJGBROQNWTG-QMTHXVAHSA-N -1 0 354.436 -0.410 20 0 FBADRM CC[C@@H](C)N1C[C@@]2(CCN(C(=O)Cn3nn[n-]c3=S)C2)OCC1=O ZINC001270547967 836213396 /nfs/dbraw/zinc/21/33/96/836213396.db2.gz XBYVJGBROQNWTG-YGRLFVJLSA-N -1 0 354.436 -0.410 20 0 FBADRM CC(=O)[C@H](C)NC(=O)[C@H]1CC12CCN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001270547984 836213436 /nfs/dbraw/zinc/21/34/36/836213436.db2.gz XGRLNNYDAJZSRJ-GXSJLCMTSA-N -1 0 366.447 -0.316 20 0 FBADRM CC(=O)[C@@H](C)NC(=O)[C@@H]1CC12CCN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001270547985 836213452 /nfs/dbraw/zinc/21/34/52/836213452.db2.gz XGRLNNYDAJZSRJ-KOLCDFICSA-N -1 0 366.447 -0.316 20 0 FBADRM CC(=O)[C@@H](C)NC(=O)[C@H]1CC12CCN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001270547986 836213421 /nfs/dbraw/zinc/21/34/21/836213421.db2.gz XGRLNNYDAJZSRJ-MWLCHTKSSA-N -1 0 366.447 -0.316 20 0 FBADRM CC(=O)[C@H](C)NC(=O)[C@@H]1CC12CCN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001270547987 836213429 /nfs/dbraw/zinc/21/34/29/836213429.db2.gz XGRLNNYDAJZSRJ-ONGXEEELSA-N -1 0 366.447 -0.316 20 0 FBADRM COCCCNC(=O)[C@H]1CC12CCN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001270547999 836212779 /nfs/dbraw/zinc/21/27/79/836212779.db2.gz XNYPUIDRPDXBTJ-LLVKDONJSA-N -1 0 368.463 -0.257 20 0 FBADRM COCCCNC(=O)[C@@H]1CC12CCN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001270548000 836213049 /nfs/dbraw/zinc/21/30/49/836213049.db2.gz XNYPUIDRPDXBTJ-NSHDSACASA-N -1 0 368.463 -0.257 20 0 FBADRM CCCCN1C[C@]2(CC1=O)COCCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001270548025 836213446 /nfs/dbraw/zinc/21/34/46/836213446.db2.gz YFIUDRZYVCZPQR-HNNXBMFYSA-N -1 0 368.463 -0.161 20 0 FBADRM CCCCN1C[C@@]2(CC1=O)COCCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001270548026 836213450 /nfs/dbraw/zinc/21/34/50/836213450.db2.gz YFIUDRZYVCZPQR-OAHLLOKOSA-N -1 0 368.463 -0.161 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCC2(CCN(C3COC3)C2=O)CC1 ZINC001270548084 836213448 /nfs/dbraw/zinc/21/34/48/836213448.db2.gz ZFAHRJLTKOGGDN-UHFFFAOYSA-N -1 0 352.420 -0.798 20 0 FBADRM CC(C)CN1C(=O)C[C@]2(CCCN(C(=O)Cn3nn[n-]c3=S)C2)C1=O ZINC001270548117 836213453 /nfs/dbraw/zinc/21/34/53/836213453.db2.gz ZSZVNMMQBNHILT-HNNXBMFYSA-N -1 0 366.447 -0.015 20 0 FBADRM CC(C)CN1C(=O)C[C@@]2(CCCN(C(=O)Cn3nn[n-]c3=S)C2)C1=O ZINC001270548119 836213409 /nfs/dbraw/zinc/21/34/09/836213409.db2.gz ZSZVNMMQBNHILT-OAHLLOKOSA-N -1 0 366.447 -0.015 20 0 FBADRM CC(C)=CCN1CC2(CN(C(=O)Cn3nn[n-]c3=S)C2)OCC1=O ZINC001270548123 836213416 /nfs/dbraw/zinc/21/34/16/836213416.db2.gz ZYSWVMIIHNKLRP-UHFFFAOYSA-N -1 0 352.420 -0.632 20 0 FBADRM CSCCC(=O)N1CCc2nc(C(=O)N=c3nn[n-]n3C)ccc2C1 ZINC001270605457 836216139 /nfs/dbraw/zinc/21/61/39/836216139.db2.gz BTSCXDRZASWRHY-UHFFFAOYSA-N -1 0 361.431 -0.083 20 0 FBADRM CSCCC(=O)N1CCc2onc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001270605536 836216396 /nfs/dbraw/zinc/21/63/96/836216396.db2.gz DWFGYUNMALHLQO-UHFFFAOYSA-N -1 0 351.392 -0.490 20 0 FBADRM CSCCC(=O)N1CCc2c([nH]nc2C(=O)N=c2nn[n-]n2C)C1 ZINC001270605995 836216984 /nfs/dbraw/zinc/21/69/84/836216984.db2.gz SGJAZKFKDCTJCG-UHFFFAOYSA-N -1 0 350.408 -0.755 20 0 FBADRM CSCCC(=O)N1CCc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001270606350 836216836 /nfs/dbraw/zinc/21/68/36/836216836.db2.gz WCPSVMCIEAFILO-UHFFFAOYSA-N -1 0 350.408 -0.755 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CCN(C(=O)c1ccsc1)C2 ZINC001270634518 836220059 /nfs/dbraw/zinc/22/00/59/836220059.db2.gz JUMQXZYQRNVYTN-UHFFFAOYSA-N -1 0 358.387 -0.133 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1nnc2n1CCN(C(=O)c1ccsc1)C2 ZINC001270634935 836219842 /nfs/dbraw/zinc/21/98/42/836219842.db2.gz QITZUAVVXURYKY-UHFFFAOYSA-N -1 0 359.375 -0.807 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)c1ccsc1)CC2 ZINC001270635146 836219875 /nfs/dbraw/zinc/21/98/75/836219875.db2.gz SAIYWCKUNFXMPH-UHFFFAOYSA-N -1 0 358.387 -0.133 20 0 FBADRM CS(=O)(=O)CCNC(=O)C12CC(NC(=O)c3ncccc3O)(C1)C2 ZINC001270685627 836225104 /nfs/dbraw/zinc/22/51/04/836225104.db2.gz QPMGXYDYYAWKBJ-UHFFFAOYSA-N -1 0 353.400 -0.400 20 0 FBADRM CS(=O)(=O)CCNC(=O)[C@@]12C[C@@H]1CN(C(=O)c1ncccc1O)C2 ZINC001270685930 836225345 /nfs/dbraw/zinc/22/53/45/836225345.db2.gz VEWLUHDVGWSUFL-MEBBXXQBSA-N -1 0 353.400 -0.590 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)/C=C/Br)C2 ZINC001270852807 836240348 /nfs/dbraw/zinc/24/03/48/836240348.db2.gz XCDQSXOZYODPDX-NSCUHMNNSA-N -1 0 367.167 -0.642 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1noc2c1CN(C(=O)c1cscn1)CC2 ZINC001270917989 836254633 /nfs/dbraw/zinc/25/46/33/836254633.db2.gz MTUZONQKZPPTRL-UHFFFAOYSA-N -1 0 360.359 -0.473 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)c1cscn1)CC2 ZINC001270918049 836254457 /nfs/dbraw/zinc/25/44/57/836254457.db2.gz OIYCQUZCJWHTPJ-UHFFFAOYSA-N -1 0 359.375 -0.738 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CCN(C(=O)c1cscn1)C2 ZINC001270918323 836254822 /nfs/dbraw/zinc/25/48/22/836254822.db2.gz QZEVGNLJEAMSAA-UHFFFAOYSA-N -1 0 359.375 -0.738 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1cc2c([nH]1)CN(C(=O)c1cscn1)CC2 ZINC001270918659 836254408 /nfs/dbraw/zinc/25/44/08/836254408.db2.gz WIGXNQBMNFOCPV-UHFFFAOYSA-N -1 0 358.387 -0.133 20 0 FBADRM Cc1ncsc1C(=O)N1Cc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001270919017 836254371 /nfs/dbraw/zinc/25/43/71/836254371.db2.gz HQSGHZXMJPDDOI-UHFFFAOYSA-N -1 0 359.375 -0.472 20 0 FBADRM O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@]12CCC[C@H]1OCC2 ZINC001271167184 836311354 /nfs/dbraw/zinc/31/13/54/836311354.db2.gz KOQVLYXEAZLWOP-LYRGGWFBSA-N -1 0 351.407 -0.478 20 0 FBADRM O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@]12CCC[C@H]1OCC2 ZINC001271167185 836311821 /nfs/dbraw/zinc/31/18/21/836311821.db2.gz KOQVLYXEAZLWOP-RLCCDNCMSA-N -1 0 351.407 -0.478 20 0 FBADRM CCOC(=O)[C@@H](C)N1CC[C@@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001271179457 836322442 /nfs/dbraw/zinc/32/24/42/836322442.db2.gz FGEZQTMCMNPQQD-BMIGLBTASA-N -1 0 350.379 -0.713 20 0 FBADRM CCOC(=O)[C@H](C)N1CC[C@@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001271179458 836323168 /nfs/dbraw/zinc/32/31/68/836323168.db2.gz FGEZQTMCMNPQQD-BONVTDFDSA-N -1 0 350.379 -0.713 20 0 FBADRM CCOC(=O)[C@@H](C)N1CC[C@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001271179459 836322028 /nfs/dbraw/zinc/32/20/28/836322028.db2.gz FGEZQTMCMNPQQD-MEBBXXQBSA-N -1 0 350.379 -0.713 20 0 FBADRM CCOC(=O)[C@H](C)N1CC[C@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001271179460 836323201 /nfs/dbraw/zinc/32/32/01/836323201.db2.gz FGEZQTMCMNPQQD-ZUZCIYMTSA-N -1 0 350.379 -0.713 20 0 FBADRM CCOC(=O)[C@@H](C)N1CC[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001271179734 836322107 /nfs/dbraw/zinc/32/21/07/836322107.db2.gz KMHWNOGORIDUNF-BMIGLBTASA-N -1 0 350.379 -0.855 20 0 FBADRM CCOC(=O)[C@H](C)N1CC[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001271179735 836322480 /nfs/dbraw/zinc/32/24/80/836322480.db2.gz KMHWNOGORIDUNF-BONVTDFDSA-N -1 0 350.379 -0.855 20 0 FBADRM CCOC(=O)[C@@H](C)N1CC[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001271179736 836321984 /nfs/dbraw/zinc/32/19/84/836321984.db2.gz KMHWNOGORIDUNF-MEBBXXQBSA-N -1 0 350.379 -0.855 20 0 FBADRM CCOC(=O)[C@H](C)N1CC[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001271179737 836322758 /nfs/dbraw/zinc/32/27/58/836322758.db2.gz KMHWNOGORIDUNF-ZUZCIYMTSA-N -1 0 350.379 -0.855 20 0 FBADRM CCOC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1nnn[n-]1 ZINC001271180077 836322888 /nfs/dbraw/zinc/32/28/88/836322888.db2.gz XJCWNZJLSOJNMD-GMTAPVOTSA-N -1 0 350.379 -0.714 20 0 FBADRM CCOC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1nnn[n-]1 ZINC001271180078 836324299 /nfs/dbraw/zinc/32/42/99/836324299.db2.gz XJCWNZJLSOJNMD-HBNTYKKESA-N -1 0 350.379 -0.714 20 0 FBADRM COC(CN1C[C@@]2(CC1=O)CCCCN2C(=O)Cc1nnn[n-]1)OC ZINC001271182144 836326707 /nfs/dbraw/zinc/32/67/07/836326707.db2.gz AIAAXVVSJZGAET-HNNXBMFYSA-N -1 0 352.395 -0.655 20 0 FBADRM COC(CN1C[C@]2(CC1=O)CCCCN2C(=O)Cc1nnn[n-]1)OC ZINC001271182150 836326778 /nfs/dbraw/zinc/32/67/78/836326778.db2.gz AIAAXVVSJZGAET-OAHLLOKOSA-N -1 0 352.395 -0.655 20 0 FBADRM COC(=O)[C@@H](C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1nnn[n-]1 ZINC001271182261 836326055 /nfs/dbraw/zinc/32/60/55/836326055.db2.gz BMCYBOJOLVXQBJ-HBNTYKKESA-N -1 0 350.379 -0.857 20 0 FBADRM CCOCCN1C(=O)C[C@]2(CCCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001271182546 836327068 /nfs/dbraw/zinc/32/70/68/836327068.db2.gz DVOGUBGFENGFAP-HNNXBMFYSA-N -1 0 350.379 -0.854 20 0 FBADRM CCOCCN1C(=O)C[C@@]2(CCCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001271182561 836327039 /nfs/dbraw/zinc/32/70/39/836327039.db2.gz DVOGUBGFENGFAP-OAHLLOKOSA-N -1 0 350.379 -0.854 20 0 FBADRM COC(C)(C)CN1C[C@@]2(F)CN(C(=O)Cc3nnn[n-]3)C[C@@]2(F)C1=O ZINC001271183001 836328392 /nfs/dbraw/zinc/32/83/92/836328392.db2.gz IWKQZVDHQGBZLN-UONOGXRCSA-N -1 0 358.349 -0.732 20 0 FBADRM Cc1nc(CN2CC3(CN(C(=O)Cc4nnn[n-]4)C3)OCC2=O)cs1 ZINC001271183323 836327691 /nfs/dbraw/zinc/32/76/91/836327691.db2.gz KNVMIKYYJHJFGZ-UHFFFAOYSA-N -1 0 363.403 -0.853 20 0 FBADRM O=C(Cc1nnn[n-]1)N1C[C@@]2(F)C(=O)N(CCC(F)(F)F)C[C@@]2(F)C1 ZINC001271183549 836328031 /nfs/dbraw/zinc/32/80/31/836328031.db2.gz LQLSQETZXDDTNB-GHMZBOCLSA-N -1 0 368.266 -0.204 20 0 FBADRM O=C(Cc1nnn[n-]1)N1CC[C@@]2(C1)CN(CCC(F)(F)F)C(=O)CO2 ZINC001271183654 836327446 /nfs/dbraw/zinc/32/74/46/836327446.db2.gz NFOUPTZXNRRGEK-GFCCVEGCSA-N -1 0 362.312 -0.476 20 0 FBADRM O=C(Cc1nnn[n-]1)N1CC[C@]2(C1)CN(CCC(F)(F)F)C(=O)CO2 ZINC001271183657 836328222 /nfs/dbraw/zinc/32/82/22/836328222.db2.gz NFOUPTZXNRRGEK-LBPRGKRZSA-N -1 0 362.312 -0.476 20 0 FBADRM COCCCN1C(=O)C[C@]2(CCCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001271183664 836327619 /nfs/dbraw/zinc/32/76/19/836327619.db2.gz NMCLNRKIUCMLCN-HNNXBMFYSA-N -1 0 350.379 -0.854 20 0 FBADRM COCCCN1C(=O)C[C@@]2(CCCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001271183667 836328251 /nfs/dbraw/zinc/32/82/51/836328251.db2.gz NMCLNRKIUCMLCN-OAHLLOKOSA-N -1 0 350.379 -0.854 20 0 FBADRM O=C(Cc1nnn[n-]1)N1C[C@@]2(F)C(=O)N(Cc3cnoc3)C[C@@]2(F)C1 ZINC001271183684 836328095 /nfs/dbraw/zinc/32/80/95/836328095.db2.gz NBOQLTLKWJPTTG-CHWSQXEVSA-N -1 0 353.289 -0.969 20 0 FBADRM CC(C)OC(=O)CN1CC[C@@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001271183702 836327970 /nfs/dbraw/zinc/32/79/70/836327970.db2.gz NZYYECXQDVTCCN-HNNXBMFYSA-N -1 0 350.379 -0.713 20 0 FBADRM CC(C)OC(=O)CN1CC[C@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001271183705 836329675 /nfs/dbraw/zinc/32/96/75/836329675.db2.gz NZYYECXQDVTCCN-OAHLLOKOSA-N -1 0 350.379 -0.713 20 0 FBADRM Cc1nc(CN2C(=O)COCC23CN(C(=O)Cc2nnn[n-]2)C3)cs1 ZINC001271183729 836330119 /nfs/dbraw/zinc/33/01/19/836330119.db2.gz OGYAZLAGZFREGU-UHFFFAOYSA-N -1 0 363.403 -0.853 20 0 FBADRM COC(CNC(=O)[C@@H]1CC12CCN(C(=O)Cc1nnn[n-]1)CC2)OC ZINC001271183882 836330415 /nfs/dbraw/zinc/33/04/15/836330415.db2.gz OOTMNTBRYFYJRU-JTQLQIEISA-N -1 0 352.395 -0.894 20 0 FBADRM COC(CNC(=O)[C@H]1CC12CCN(C(=O)Cc1nnn[n-]1)CC2)OC ZINC001271183885 836329288 /nfs/dbraw/zinc/32/92/88/836329288.db2.gz OOTMNTBRYFYJRU-SNVBAGLBSA-N -1 0 352.395 -0.894 20 0 FBADRM CCOC(=O)[C@@H]1CN(C)C(=O)C12CCN(C(=O)Cc1nnn[n-]1)CC2 ZINC001271184148 836328849 /nfs/dbraw/zinc/32/88/49/836328849.db2.gz SLQZHORGSAEOKJ-JTQLQIEISA-N -1 0 350.379 -0.998 20 0 FBADRM CCOC(=O)[C@H]1CN(C)C(=O)C12CCN(C(=O)Cc1nnn[n-]1)CC2 ZINC001271184149 836329403 /nfs/dbraw/zinc/32/94/03/836329403.db2.gz SLQZHORGSAEOKJ-SNVBAGLBSA-N -1 0 350.379 -0.998 20 0 FBADRM O=C(Cc1nnn[n-]1)N1C[C@@]2(F)C(=O)N(CC(F)(F)F)C[C@@]2(F)C1 ZINC001271184392 836329091 /nfs/dbraw/zinc/32/90/91/836329091.db2.gz SIKCPRWSTGYXPM-VHSXEESVSA-N -1 0 354.239 -0.595 20 0 FBADRM COCCOCNC(=O)[C@H]1CC12CCN(C(=O)Cc1nnn[n-]1)CC2 ZINC001271184398 836328764 /nfs/dbraw/zinc/32/87/64/836328764.db2.gz SINZVUJRJUHMGN-LLVKDONJSA-N -1 0 352.395 -0.892 20 0 FBADRM COCCOCNC(=O)[C@@H]1CC12CCN(C(=O)Cc1nnn[n-]1)CC2 ZINC001271184401 836329923 /nfs/dbraw/zinc/32/99/23/836329923.db2.gz SINZVUJRJUHMGN-NSHDSACASA-N -1 0 352.395 -0.892 20 0 FBADRM CC(C)OC(=O)CN1CC[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001271184452 836330067 /nfs/dbraw/zinc/33/00/67/836330067.db2.gz TYSBBQPDUBNJOK-HNNXBMFYSA-N -1 0 350.379 -0.855 20 0 FBADRM CC(C)OC(=O)CN1CC[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001271184455 836329794 /nfs/dbraw/zinc/32/97/94/836329794.db2.gz TYSBBQPDUBNJOK-OAHLLOKOSA-N -1 0 350.379 -0.855 20 0 FBADRM COC(C)(C)CNC(=O)[C@H]1CC12CCN(C(=O)Cc1nnn[n-]1)CC2 ZINC001271184477 836329245 /nfs/dbraw/zinc/32/92/45/836329245.db2.gz XQHLRZUIRLPIJA-LLVKDONJSA-N -1 0 350.423 -0.088 20 0 FBADRM COC(C)(C)CNC(=O)[C@@H]1CC12CCN(C(=O)Cc1nnn[n-]1)CC2 ZINC001271184480 836329995 /nfs/dbraw/zinc/32/99/95/836329995.db2.gz XQHLRZUIRLPIJA-NSHDSACASA-N -1 0 350.423 -0.088 20 0 FBADRM O=C(Cc1nnn[n-]1)N1CCOC[C@]2(CC(=O)N(CC(F)(F)F)C2)C1 ZINC001271184548 836329889 /nfs/dbraw/zinc/32/98/89/836329889.db2.gz UUFXGKACRQDWKL-GFCCVEGCSA-N -1 0 362.312 -0.618 20 0 FBADRM O=C(Cc1nnn[n-]1)N1CCOC[C@@]2(CC(=O)N(CC(F)(F)F)C2)C1 ZINC001271184549 836329547 /nfs/dbraw/zinc/32/95/47/836329547.db2.gz UUFXGKACRQDWKL-LBPRGKRZSA-N -1 0 362.312 -0.618 20 0 FBADRM COC(=O)[C@@H](C)CN1CC[C@@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001271184743 836329703 /nfs/dbraw/zinc/32/97/03/836329703.db2.gz VOJQNTBBKAMLPE-BONVTDFDSA-N -1 0 350.379 -0.855 20 0 FBADRM COC(=O)[C@@H](C)CN1CC[C@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001271184744 836330372 /nfs/dbraw/zinc/33/03/72/836330372.db2.gz VOJQNTBBKAMLPE-ZUZCIYMTSA-N -1 0 350.379 -0.855 20 0 FBADRM O=C(Cc1nnn[n-]1)N1CCC[C@@]2(CC(=O)N(CC(F)(F)F)C2=O)C1 ZINC001271184754 836330268 /nfs/dbraw/zinc/33/02/68/836330268.db2.gz WBUVBSZBAWMMKE-GFCCVEGCSA-N -1 0 360.296 -0.328 20 0 FBADRM O=C(Cc1nnn[n-]1)N1CCC[C@]2(CC(=O)N(CC(F)(F)F)C2=O)C1 ZINC001271184755 836328973 /nfs/dbraw/zinc/32/89/73/836328973.db2.gz WBUVBSZBAWMMKE-LBPRGKRZSA-N -1 0 360.296 -0.328 20 0 FBADRM COC(CN1CCC2(CCN(C(=O)Cc3nnn[n-]3)CC2)C1=O)OC ZINC001271184763 836330026 /nfs/dbraw/zinc/33/00/26/836330026.db2.gz WJDNIZXAWBKRPW-UHFFFAOYSA-N -1 0 352.395 -0.798 20 0 FBADRM CC(C)OC(=O)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1nnn[n-]1 ZINC001271184780 836329313 /nfs/dbraw/zinc/32/93/13/836329313.db2.gz XEUPPMVDMDRYED-GHMZBOCLSA-N -1 0 350.379 -0.714 20 0 FBADRM COCCOCN1C[C@@]2(CC1=O)CCCCN2C(=O)Cc1nnn[n-]1 ZINC001271184789 836329577 /nfs/dbraw/zinc/32/95/77/836329577.db2.gz XKEAISLJQYPPDS-HNNXBMFYSA-N -1 0 352.395 -0.654 20 0 FBADRM COCCOCN1C[C@]2(CC1=O)CCCCN2C(=O)Cc1nnn[n-]1 ZINC001271184790 836328813 /nfs/dbraw/zinc/32/88/13/836328813.db2.gz XKEAISLJQYPPDS-OAHLLOKOSA-N -1 0 352.395 -0.654 20 0 FBADRM COCCOCN1CCC2(CCN(C(=O)Cc3nnn[n-]3)CC2)C1=O ZINC001271184946 836330330 /nfs/dbraw/zinc/33/03/30/836330330.db2.gz ZESFTXSJKHGEMR-UHFFFAOYSA-N -1 0 352.395 -0.796 20 0 FBADRM COC(=O)[C@@H](C)CN1CC[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001271184953 836329649 /nfs/dbraw/zinc/32/96/49/836329649.db2.gz ZMLJDEUEFIAFLA-BONVTDFDSA-N -1 0 350.379 -0.998 20 0 FBADRM COC(=O)[C@@H](C)CN1CC[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001271184954 836329459 /nfs/dbraw/zinc/32/94/59/836329459.db2.gz ZMLJDEUEFIAFLA-ZUZCIYMTSA-N -1 0 350.379 -0.998 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)C1CCSCC1)C2 ZINC001271191491 836330457 /nfs/dbraw/zinc/33/04/57/836330457.db2.gz WYQJBNGITOWDOK-UHFFFAOYSA-N -1 0 362.419 -0.407 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1cc2c([nH]1)CN(C(=O)c1csnn1)CC2 ZINC001271231626 836332975 /nfs/dbraw/zinc/33/29/75/836332975.db2.gz CYWGZUJKHXYFRA-UHFFFAOYSA-N -1 0 359.375 -0.738 20 0 FBADRM Cc1csc(C(=O)N2C[C@@H]3C(C(=O)N=c4nn[n-]n4C)=NO[C@@H]3C2)c1 ZINC001271239870 836334467 /nfs/dbraw/zinc/33/44/67/836334467.db2.gz UPKCUBWBHWGPHP-DTWKUNHWSA-N -1 0 361.387 -0.533 20 0 FBADRM NC(=O)c1[nH]nc2c1CN(C(=O)c1cc(S(=O)(=O)[O-])ccc1O)CC2 ZINC001271396218 836348564 /nfs/dbraw/zinc/34/85/64/836348564.db2.gz BXKKUYCNYVIAJF-UHFFFAOYSA-N -1 0 366.355 -0.341 20 0 FBADRM NC(=O)c1cn2c(n1)CN(C(=O)c1cc(S(=O)(=O)[O-])ccc1O)CC2 ZINC001271396394 836348814 /nfs/dbraw/zinc/34/88/14/836348814.db2.gz FLSXIYKFBFWXKY-UHFFFAOYSA-N -1 0 366.355 -0.410 20 0 FBADRM NC(=O)c1cnc2n1CCN(C(=O)c1cc(S(=O)(=O)[O-])ccc1O)C2 ZINC001271396674 836348592 /nfs/dbraw/zinc/34/85/92/836348592.db2.gz JZLVALYOSDPKKS-UHFFFAOYSA-N -1 0 366.355 -0.410 20 0 FBADRM NC(=O)[C@H]1CCC2(CN(C(=O)c3cc(S(=O)(=O)[O-])ccc3O)C2)O1 ZINC001271396854 836348734 /nfs/dbraw/zinc/34/87/34/836348734.db2.gz NNXWAPHVSGDRRE-LLVKDONJSA-N -1 0 356.356 -0.502 20 0 FBADRM NC(=O)[C@@H]1CCC2(CN(C(=O)c3cc(S(=O)(=O)[O-])ccc3O)C2)O1 ZINC001271396855 836348990 /nfs/dbraw/zinc/34/89/90/836348990.db2.gz NNXWAPHVSGDRRE-NSHDSACASA-N -1 0 356.356 -0.502 20 0 FBADRM NC(=O)C[C@H]1C[C@@H]2CN(C(=O)c3cc(S(=O)(=O)[O-])ccc3O)C[C@@H]2O1 ZINC001271397036 836348650 /nfs/dbraw/zinc/34/86/50/836348650.db2.gz QNMIFMCRAXAJMP-KKFJDGPESA-N -1 0 370.383 -0.256 20 0 FBADRM NC(=O)C[C@@H]1C[C@@H]2CN(C(=O)c3cc(S(=O)(=O)[O-])ccc3O)C[C@@H]2O1 ZINC001271397037 836348301 /nfs/dbraw/zinc/34/83/01/836348301.db2.gz QNMIFMCRAXAJMP-ZDMBXUJBSA-N -1 0 370.383 -0.256 20 0 FBADRM NC(=O)c1[nH]nc2c1CN(C(=O)c1cc(S(=O)(=O)[O-])ccc1O)C2 ZINC001271397144 836348350 /nfs/dbraw/zinc/34/83/50/836348350.db2.gz SFNQFGCYONBNLF-UHFFFAOYSA-N -1 0 352.328 -0.383 20 0 FBADRM NC(=O)[C@H]1COCCC12CN(C(=O)c1cc(S(=O)(=O)[O-])ccc1O)C2 ZINC001271397188 836349108 /nfs/dbraw/zinc/34/91/08/836349108.db2.gz TWPDQNSVKQTSFY-LLVKDONJSA-N -1 0 370.383 -0.397 20 0 FBADRM NC(=O)[C@@H]1COCCC12CN(C(=O)c1cc(S(=O)(=O)[O-])ccc1O)C2 ZINC001271397190 836348324 /nfs/dbraw/zinc/34/83/24/836348324.db2.gz TWPDQNSVKQTSFY-NSHDSACASA-N -1 0 370.383 -0.397 20 0 FBADRM NC(=O)c1noc2c1CN(C(=O)c1cc(S(=O)(=O)[O-])ccc1O)CC2 ZINC001271397287 836348838 /nfs/dbraw/zinc/34/88/38/836348838.db2.gz WOQIKGKEQXMUGN-UHFFFAOYSA-N -1 0 367.339 -0.076 20 0 FBADRM NC(=O)c1[nH]nc2c1CCN(C(=O)c1cc(S(=O)(=O)[O-])ccc1O)C2 ZINC001271397294 836349078 /nfs/dbraw/zinc/34/90/78/836349078.db2.gz WWKSTTWGFIYNSB-UHFFFAOYSA-N -1 0 366.355 -0.341 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)c1sccc1F)C2 ZINC001271493244 836369136 /nfs/dbraw/zinc/36/91/36/836369136.db2.gz SJBZYGGFLJVIFD-UHFFFAOYSA-N -1 0 362.350 -0.036 20 0 FBADRM Cn1[n-]nnc1=NC(=O)C1=NO[C@@H]2CN(C(=O)c3sccc3F)C[C@H]12 ZINC001271493621 836369194 /nfs/dbraw/zinc/36/91/94/836369194.db2.gz XSIRWRHSWOHPFR-POYBYMJQSA-N -1 0 365.350 -0.702 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1cc2c([nH]1)CN(C(=O)c1ccns1)CC2 ZINC001271526465 836370993 /nfs/dbraw/zinc/37/09/93/836370993.db2.gz QMDANJOCXCWIIO-UHFFFAOYSA-N -1 0 358.387 -0.133 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1noc2c1CN(C(=O)c1ccns1)CC2 ZINC001271526491 836370629 /nfs/dbraw/zinc/37/06/29/836370629.db2.gz QTSJXVOVMTZXTF-UHFFFAOYSA-N -1 0 360.359 -0.473 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)c1ccns1)CC2 ZINC001271526555 836370736 /nfs/dbraw/zinc/37/07/36/836370736.db2.gz SISLJRUUJGZAHG-UHFFFAOYSA-N -1 0 359.375 -0.738 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CCN(C(=O)c1ccns1)C2 ZINC001271527054 836370540 /nfs/dbraw/zinc/37/05/40/836370540.db2.gz XVTMMDJMAJZFMA-UHFFFAOYSA-N -1 0 359.375 -0.738 20 0 FBADRM Cc1cnc(C(=O)N2Cc3[nH]nc(C(=O)N=c4nn[n-]n4C)c3C2)s1 ZINC001271555345 836372787 /nfs/dbraw/zinc/37/27/87/836372787.db2.gz ZFEFUXSSGUIVBB-UHFFFAOYSA-N -1 0 359.375 -0.472 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CCN(C(=O)c1cccs1)C2 ZINC001271649885 836379247 /nfs/dbraw/zinc/37/92/47/836379247.db2.gz BUUWDJDSTCMCNR-UHFFFAOYSA-N -1 0 358.387 -0.133 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1nnc2n1CCN(C(=O)c1cccs1)C2 ZINC001271650688 836381275 /nfs/dbraw/zinc/38/12/75/836381275.db2.gz GMUWZRSETMQZSO-UHFFFAOYSA-N -1 0 359.375 -0.807 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)c1cccs1)CC2 ZINC001271651580 836379556 /nfs/dbraw/zinc/37/95/56/836379556.db2.gz XIISHQLAVUKBCD-UHFFFAOYSA-N -1 0 358.387 -0.133 20 0 FBADRM Cc1ccsc1C(=O)N1C[C@@H]2C(C(=O)N=c3nn[n-]n3C)=NO[C@@H]2C1 ZINC001271658433 836381457 /nfs/dbraw/zinc/38/14/57/836381457.db2.gz PMABBSPHBVZLBY-DTWKUNHWSA-N -1 0 361.387 -0.533 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1cc2c([nH]1)CN(C(=O)c1nccs1)CC2 ZINC001272036188 836429118 /nfs/dbraw/zinc/42/91/18/836429118.db2.gz ISFASHXDCIAZPP-UHFFFAOYSA-N -1 0 358.387 -0.133 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)c1nccs1)CC2 ZINC001272036549 836430411 /nfs/dbraw/zinc/43/04/11/836430411.db2.gz NGYASLZTOXFLIV-UHFFFAOYSA-N -1 0 359.375 -0.738 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1noc2c1CN(C(=O)c1nccs1)CC2 ZINC001272036968 836429936 /nfs/dbraw/zinc/42/99/36/836429936.db2.gz QTCJUDCUEJEGNB-UHFFFAOYSA-N -1 0 360.359 -0.473 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CCN(C(=O)c1nccs1)C2 ZINC001272037241 836430349 /nfs/dbraw/zinc/43/03/49/836430349.db2.gz UOAHXJGCRGJVMN-UHFFFAOYSA-N -1 0 359.375 -0.738 20 0 FBADRM Cc1nc(C(=O)N2Cc3[nH]nc(C(=O)N=c4nn[n-]n4C)c3C2)cs1 ZINC001272043744 836435827 /nfs/dbraw/zinc/43/58/27/836435827.db2.gz LSOHXNRKDKWXIQ-UHFFFAOYSA-N -1 0 359.375 -0.472 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1cc2c([nH]1)CN(C(=O)c1cncs1)CC2 ZINC001272051963 836437723 /nfs/dbraw/zinc/43/77/23/836437723.db2.gz SJXWFOQTWUWUJZ-UHFFFAOYSA-N -1 0 358.387 -0.133 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)c1cncs1)CC2 ZINC001272052108 836438689 /nfs/dbraw/zinc/43/86/89/836438689.db2.gz YBDKKMXBTPSGIP-UHFFFAOYSA-N -1 0 359.375 -0.738 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1noc2c1CN(C(=O)c1cncs1)CC2 ZINC001272052109 836438722 /nfs/dbraw/zinc/43/87/22/836438722.db2.gz YBJDNKFOKKBOQJ-UHFFFAOYSA-N -1 0 360.359 -0.473 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CCN(C(=O)c1cncs1)C2 ZINC001272052158 836438863 /nfs/dbraw/zinc/43/88/63/836438863.db2.gz ZLHJKUQUABIBEM-UHFFFAOYSA-N -1 0 359.375 -0.738 20 0 FBADRM CN1C(=O)COCC12CN(C(=O)c1cc(S(=O)(=O)[O-])ccc1O)C2 ZINC001272070759 836443524 /nfs/dbraw/zinc/44/35/24/836443524.db2.gz PMCLILAMJBKHLG-UHFFFAOYSA-N -1 0 356.356 -0.678 20 0 FBADRM CC1NC(C(=O)N2CCn3c(nnc3C(=O)Nc3nnco3)C2)=CS1 ZINC001272140200 836493466 /nfs/dbraw/zinc/49/34/66/836493466.db2.gz LSEWQBYCSJRWDB-UHFFFAOYSA-N -1 0 361.367 -0.057 20 0 FBADRM CC1NC(C(=O)N2Cc3[nH]nc(C(=O)N=c4nn[n-]n4C)c3C2)=CS1 ZINC001272140220 836493414 /nfs/dbraw/zinc/49/34/14/836493414.db2.gz MBJFIBOFLPFNJH-UHFFFAOYSA-N -1 0 360.383 -0.863 20 0 FBADRM O=C(Cc1nnn[n-]1)N1CC2(CCN2C(=O)Cn2cc(Cl)cn2)C1 ZINC001272169371 836495873 /nfs/dbraw/zinc/49/58/73/836495873.db2.gz AIYNONUYSONUID-UHFFFAOYSA-N -1 0 350.770 -0.894 20 0 FBADRM O=C(Cn1cc(Cl)cn1)N1[C@@H]2CC[C@H]1CN(C(=O)Cc1nnn[n-]1)C2 ZINC001272169411 836495854 /nfs/dbraw/zinc/49/58/54/836495854.db2.gz BOAUIRMQVDTIOX-PHIMTYICSA-N -1 0 364.797 -0.506 20 0 FBADRM O=C(Cc1nnn[n-]1)N1C[C@@H]2[C@H](C1)OCCN2C(=O)Cc1ccsc1 ZINC001272169456 836496057 /nfs/dbraw/zinc/49/60/57/836496057.db2.gz CPVXMVFDHAHDIY-NEPJUHHUSA-N -1 0 362.415 -0.515 20 0 FBADRM O=C(Cc1nnn[n-]1)N1C[C@@H]2OCCN(C(=O)Cc3ccsc3)[C@H]2C1 ZINC001272169458 836495839 /nfs/dbraw/zinc/49/58/39/836495839.db2.gz CPVXMVFDHAHDIY-RYUDHWBXSA-N -1 0 362.415 -0.515 20 0 FBADRM O=C(Cc1nnn[n-]1)N1C[C@@H]2COC[C@H](C1)N2C(=O)Cc1ccsc1 ZINC001272169698 836496086 /nfs/dbraw/zinc/49/60/86/836496086.db2.gz DQEIVADQGVQGML-TXEJJXNPSA-N -1 0 362.415 -0.515 20 0 FBADRM O=C(Cc1nnn[n-]1)N1[C@@H]2CC[C@H]1CN(C(=O)Cn1cc(Cl)cn1)C2 ZINC001272169746 836495706 /nfs/dbraw/zinc/49/57/06/836495706.db2.gz FNMMPLSVKDBUCR-PHIMTYICSA-N -1 0 364.797 -0.506 20 0 FBADRM O=C(Cc1nnn[n-]1)N1C[C@@H]2C[C@H]1CN(C(=O)Cn1cc(Cl)cn1)C2 ZINC001272170139 836496051 /nfs/dbraw/zinc/49/60/51/836496051.db2.gz IFVQLALMRUYVDR-KOLCDFICSA-N -1 0 364.797 -0.648 20 0 FBADRM O=C(Cc1ccsc1)N1C[C@@H]2CN(C(=O)Cc3nnn[n-]3)C[C@H](C1)O2 ZINC001272170432 836495963 /nfs/dbraw/zinc/49/59/63/836495963.db2.gz OSMKZUONNOCCSR-TXEJJXNPSA-N -1 0 362.415 -0.515 20 0 FBADRM O=C(Cc1ccsc1)N1C[C@@H]2COC[C@H](C1)N2C(=O)Cc1nnn[n-]1 ZINC001272170434 836495820 /nfs/dbraw/zinc/49/58/20/836495820.db2.gz OVBZKKIVWMKYOU-TXEJJXNPSA-N -1 0 362.415 -0.515 20 0 FBADRM O=C(Cc1nnn[n-]1)N1CC[C@H]2CN(C(=O)Cn3cc(Cl)cn3)C[C@H]21 ZINC001272170556 836496108 /nfs/dbraw/zinc/49/61/08/836496108.db2.gz SHMFQYYGPOQYRF-GXSJLCMTSA-N -1 0 364.797 -0.648 20 0 FBADRM COCCOCN1CCO[C@@]2(CCCN(C(=O)Cc3nnn[n-]3)C2)C1 ZINC001272170628 836496098 /nfs/dbraw/zinc/49/60/98/836496098.db2.gz VSHBKCFPOZGUEM-HNNXBMFYSA-N -1 0 354.411 -0.944 20 0 FBADRM COCCOCN1CCO[C@]2(CCCN(C(=O)Cc3nnn[n-]3)C2)C1 ZINC001272170629 836496135 /nfs/dbraw/zinc/49/61/35/836496135.db2.gz VSHBKCFPOZGUEM-OAHLLOKOSA-N -1 0 354.411 -0.944 20 0 FBADRM O=C(Cc1nnn[n-]1)N1[C@@H]2C[C@H]1CN(C(=O)Cn1cc(Cl)cn1)C2 ZINC001272170657 836496161 /nfs/dbraw/zinc/49/61/61/836496161.db2.gz WPLYAUQFUASQLW-AOOOYVTPSA-N -1 0 350.770 -0.896 20 0 FBADRM O=C(Cc1nnn[n-]1)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc(Cl)cn1 ZINC001272170668 836496201 /nfs/dbraw/zinc/49/62/01/836496201.db2.gz WYKVJBMLVVEDNM-QWRGUYRKSA-N -1 0 364.797 -0.506 20 0 FBADRM O=C(Cc1nnn[n-]1)N1CC2(C1)CCN(C(=O)Cn1cc(Cl)cn1)C2 ZINC001272170709 836495759 /nfs/dbraw/zinc/49/57/59/836495759.db2.gz XWYTUJALHKGYJD-UHFFFAOYSA-N -1 0 364.797 -0.647 20 0 FBADRM O=C(Cc1nnn[n-]1)N1CCC2(CN(C(=O)NCC(F)(F)F)C2)CC1 ZINC001272171496 836495929 /nfs/dbraw/zinc/49/59/29/836495929.db2.gz AVBZSSCGSYGAGQ-UHFFFAOYSA-N -1 0 361.328 -0.062 20 0 FBADRM CN(C)S(=O)(=O)N1CCCC2(CCN(C(=O)Cc3nnn[n-]3)CC2)C1 ZINC001272171554 836495780 /nfs/dbraw/zinc/49/57/80/836495780.db2.gz DBWMCLJTSPYZHE-UHFFFAOYSA-N -1 0 371.467 -0.747 20 0 FBADRM CC(C)NC(=O)N1CCO[C@]2(CCCN(C(=O)Cc3nnn[n-]3)C2)C1 ZINC001272171882 836496042 /nfs/dbraw/zinc/49/60/42/836496042.db2.gz JACGNWSCUUZUJB-HNNXBMFYSA-N -1 0 351.411 -0.446 20 0 FBADRM CC(C)NC(=O)N1CCO[C@@]2(CCCN(C(=O)Cc3nnn[n-]3)C2)C1 ZINC001272171886 836496001 /nfs/dbraw/zinc/49/60/01/836496001.db2.gz JACGNWSCUUZUJB-OAHLLOKOSA-N -1 0 351.411 -0.446 20 0 FBADRM CN(C)S(=O)(=O)N1CCC[C@]2(CCCN(C(=O)Cc3nnn[n-]3)C2)C1 ZINC001272171933 836496147 /nfs/dbraw/zinc/49/61/47/836496147.db2.gz KIRDKDKXRJMNDW-AWEZNQCLSA-N -1 0 371.467 -0.747 20 0 FBADRM CN(C)S(=O)(=O)N1CCC[C@@]2(CCCN(C(=O)Cc3nnn[n-]3)C2)C1 ZINC001272171934 836496021 /nfs/dbraw/zinc/49/60/21/836496021.db2.gz KIRDKDKXRJMNDW-CQSZACIVSA-N -1 0 371.467 -0.747 20 0 FBADRM CN(C)S(=O)(=O)N[C@@]12CC[C@@](NC(=O)Cc3nnn[n-]3)(C1)CCC2 ZINC001272172789 836495805 /nfs/dbraw/zinc/49/58/05/836495805.db2.gz WUYJJAYBKROSNG-OLZOCXBDSA-N -1 0 357.440 -0.900 20 0 FBADRM O=C(Cc1nnn[n-]1)N1CCCC2(CN(C(=O)NCC(F)(F)F)C2)C1 ZINC001272172882 836495982 /nfs/dbraw/zinc/49/59/82/836495982.db2.gz YIJCTUVZXGSOSR-UHFFFAOYSA-N -1 0 361.328 -0.062 20 0 FBADRM O=C(CCc1ccc[nH]1)N1CCC12CN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001272317828 836959810 /nfs/dbraw/zinc/95/98/10/836959810.db2.gz DEBIHENIDFAKLJ-UHFFFAOYSA-N -1 0 361.431 -0.264 20 0 FBADRM O=C(CCc1ccc[nH]1)N1CC2(C1)CN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001272318081 836960766 /nfs/dbraw/zinc/96/07/66/836960766.db2.gz FWDYAIDNDQZOSH-UHFFFAOYSA-N -1 0 361.431 -0.407 20 0 FBADRM COC1(CC(=O)N2CCC23CN(C(=O)Cn2nn[n-]c2=S)C3)CCC1 ZINC001272318297 836961169 /nfs/dbraw/zinc/96/11/69/836961169.db2.gz IOEQYHXLBWLGQB-UHFFFAOYSA-N -1 0 366.447 -0.266 20 0 FBADRM O=C(Cc1ccsc1)N1CC2(C1)CN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001272318614 836961154 /nfs/dbraw/zinc/96/11/54/836961154.db2.gz POCLXAVLEXTLGO-UHFFFAOYSA-N -1 0 364.456 -0.063 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1[C@@H]2C[C@H]1CN(C(=O)CCc1ccc[nH]1)C2 ZINC001272318689 836960842 /nfs/dbraw/zinc/96/08/42/836960842.db2.gz RMGISZKXIXSDOH-TXEJJXNPSA-N -1 0 361.431 -0.266 20 0 FBADRM COC1(CC(=O)N2CC3(CN(C(=O)Cn4nn[n-]c4=S)C3)C2)CCC1 ZINC001272318852 836960648 /nfs/dbraw/zinc/96/06/48/836960648.db2.gz WGLGXBANBOWHEY-UHFFFAOYSA-N -1 0 366.447 -0.408 20 0 FBADRM COC1(CC(=O)N2C[C@H]3C[C@@H](C2)N3C(=O)Cn2nn[n-]c2=S)CCC1 ZINC001272318915 836960800 /nfs/dbraw/zinc/96/08/00/836960800.db2.gz YKBCCBRHJLHURE-PHIMTYICSA-N -1 0 366.447 -0.267 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1C[C@H]2CC[C@@H](C1)N2Cc1cccc(=O)[nH]1 ZINC001272326042 836962111 /nfs/dbraw/zinc/96/21/11/836962111.db2.gz HPQSHENTYZPUQF-TXEJJXNPSA-N -1 0 361.431 -0.062 20 0 FBADRM CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cn3nn[n-]c3=S)C[C@H]2CC1 ZINC001272326661 836962948 /nfs/dbraw/zinc/96/29/48/836962948.db2.gz NLFYAQOBIFFJDE-TXEJJXNPSA-N -1 0 367.479 -0.780 20 0 FBADRM Cc1cc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2nn[n-]c2=S)n(C)n1 ZINC001272327398 836962654 /nfs/dbraw/zinc/96/26/54/836962654.db2.gz AXNVTNPNZWZYJQ-TXEJJXNPSA-N -1 0 362.463 -0.121 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC2(CCN2C(=O)Nc2cccnc2)C1 ZINC001272327522 836963249 /nfs/dbraw/zinc/96/32/49/836963249.db2.gz CIQNNMWBMVGBPU-UHFFFAOYSA-N -1 0 360.403 -0.124 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC2(C1)CN(C(=O)Nc1cccnc1)C2 ZINC001272327530 836964191 /nfs/dbraw/zinc/96/41/91/836964191.db2.gz CQMZQYGYAYANNH-UHFFFAOYSA-N -1 0 360.403 -0.267 20 0 FBADRM Cc1cc(C[N@@H+]2CCC3(CN(C(=O)Cn4nn[n-]c4=S)C3)C2)n(C)n1 ZINC001272327807 836963967 /nfs/dbraw/zinc/96/39/67/836963967.db2.gz GLJWUFNGLPPEPX-UHFFFAOYSA-N -1 0 362.463 -0.262 20 0 FBADRM COCCOCN1CCC2(C1)CCN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001272327940 836964110 /nfs/dbraw/zinc/96/41/10/836964110.db2.gz IBLDTPGRNZHESQ-UHFFFAOYSA-N -1 0 370.479 -0.103 20 0 FBADRM Cc1cc(CN2CC[C@H]3[C@@H]2CCN3C(=O)Cn2nn[n-]c2=S)n(C)n1 ZINC001272328286 836963888 /nfs/dbraw/zinc/96/38/88/836963888.db2.gz KDGPVGDWWVLBFH-STQMWFEESA-N -1 0 362.463 -0.121 20 0 FBADRM CCn1ccnc1CN1C[C@H]2C[C@@H](C1)N(C(=O)Cn1nn[n-]c1=S)C2 ZINC001272328327 836963934 /nfs/dbraw/zinc/96/39/34/836963934.db2.gz LEHIIMNKJUXRLY-NEPJUHHUSA-N -1 0 362.463 -0.089 20 0 FBADRM COCCOCN1CC[C@]2(C1)CCCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001272328610 836963824 /nfs/dbraw/zinc/96/38/24/836963824.db2.gz LQPTYIJJNCEIPR-HNNXBMFYSA-N -1 0 370.479 -0.103 20 0 FBADRM COCCOCN1CC[C@@]2(C1)CCCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001272328611 836964055 /nfs/dbraw/zinc/96/40/55/836964055.db2.gz LQPTYIJJNCEIPR-OAHLLOKOSA-N -1 0 370.479 -0.103 20 0 FBADRM COCCOCN1CC2(C1)CCN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001272328672 836964025 /nfs/dbraw/zinc/96/40/25/836964025.db2.gz NHXYXOXGELQMLA-UHFFFAOYSA-N -1 0 356.452 -0.493 20 0 FBADRM CCn1ccnc1CN1CCC2(CN(C(=O)Cn3nn[n-]c3=S)C2)C1 ZINC001272328676 836964195 /nfs/dbraw/zinc/96/41/95/836964195.db2.gz NJGCNIWTNRZAJC-UHFFFAOYSA-N -1 0 362.463 -0.087 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1[C@@H]2C[C@H]1CN(C(=O)Nc1cccnc1)C2 ZINC001272328788 836964182 /nfs/dbraw/zinc/96/41/82/836964182.db2.gz POBRSUVWGHQLQA-PHIMTYICSA-N -1 0 360.403 -0.126 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC2(C1)CN(C(=O)NCC(F)(F)F)C2 ZINC001272328790 836964075 /nfs/dbraw/zinc/96/40/75/836964075.db2.gz PUJKFXVGZRXOSR-UHFFFAOYSA-N -1 0 365.341 -0.622 20 0 FBADRM Cc1cc(CN2C[C@H]3C[C@@H](C2)N(C(=O)Cn2nn[n-]c2=S)C3)n(C)n1 ZINC001272329042 836963915 /nfs/dbraw/zinc/96/39/15/836963915.db2.gz QPVSXGFYBWFXQT-YPMHNXCESA-N -1 0 362.463 -0.263 20 0 FBADRM COCCOCN1CC2(C1)CCCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001272329503 836963818 /nfs/dbraw/zinc/96/38/18/836963818.db2.gz UXUZXWZTXKBJMH-UHFFFAOYSA-N -1 0 356.452 -0.493 20 0 FBADRM CCn1ccnc1CN1C[C@@H]2CCN(C(=O)Cn3nn[n-]c3=S)[C@@H]2C1 ZINC001272329611 836964825 /nfs/dbraw/zinc/96/48/25/836964825.db2.gz WPFXRBVAAOOLGB-NWDGAFQWSA-N -1 0 362.463 -0.089 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1[C@@H]2C[C@H]1CN(C(=O)NCC(F)(F)F)C2 ZINC001272330059 836964963 /nfs/dbraw/zinc/96/49/63/836964963.db2.gz YSZYHVUZCKIKKN-KNVOCYPGSA-N -1 0 365.341 -0.481 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC2(CCN2C(=O)NCC(F)(F)F)C1 ZINC001272330066 836965482 /nfs/dbraw/zinc/96/54/82/836965482.db2.gz YWOIDHWMISUBBO-UHFFFAOYSA-N -1 0 365.341 -0.480 20 0 FBADRM CN1C[C@@]2(CCN(C(=O)CCCNC(=O)C(F)(F)F)C2)OCC1=O ZINC001272422049 836989212 /nfs/dbraw/zinc/98/92/12/836989212.db2.gz GECDZOKIPSLVCG-CYBMUJFWSA-N -1 0 351.325 -0.095 20 0 FBADRM CN1C[C@]2(CCN(C(=O)CCCNC(=O)C(F)(F)F)C2)OCC1=O ZINC001272422050 836989113 /nfs/dbraw/zinc/98/91/13/836989113.db2.gz GECDZOKIPSLVCG-ZDUSSCGKSA-N -1 0 351.325 -0.095 20 0 FBADRM O=C([O-])c1ccc(CN2C[C@@]3(F)CN(C(=O)CO)C[C@@]3(F)C2=O)cc1 ZINC001272500417 837006881 /nfs/dbraw/zinc/00/68/81/837006881.db2.gz LSMZWWNPMWRMLQ-HZPDHXFCSA-N -1 0 354.309 -0.022 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)Cc1nccs1)C2 ZINC001272809736 837349004 /nfs/dbraw/zinc/34/90/04/837349004.db2.gz BVRRAKNWKAFADZ-UHFFFAOYSA-N -1 0 359.375 -0.851 20 0 FBADRM CCOCCN1C(=O)COCC12CN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001272817105 837368013 /nfs/dbraw/zinc/36/80/13/837368013.db2.gz BBBGBGLCIKKATC-UHFFFAOYSA-N -1 0 367.324 -0.859 20 0 FBADRM CCOCCN1CC2(CN(C(=O)C[N-]C(=O)C(F)(F)F)C2)OCC1=O ZINC001272817146 837367774 /nfs/dbraw/zinc/36/77/74/837367774.db2.gz BNUIMSGCPMRMMM-UHFFFAOYSA-N -1 0 367.324 -0.859 20 0 FBADRM CC(=O)[C@@H](C)N1CC2(CN(C(=O)C[N-]C(=O)C(F)(F)F)C2)OCC1=O ZINC001272817530 837367201 /nfs/dbraw/zinc/36/72/01/837367201.db2.gz IEHLDZQXYVHBJH-MRVPVSSYSA-N -1 0 365.308 -0.918 20 0 FBADRM CC(=O)[C@H](C)N1CC2(CN(C(=O)C[N-]C(=O)C(F)(F)F)C2)OCC1=O ZINC001272817535 837368032 /nfs/dbraw/zinc/36/80/32/837368032.db2.gz IEHLDZQXYVHBJH-QMMMGPOBSA-N -1 0 365.308 -0.918 20 0 FBADRM CCCCN1CC2(CN(C(=O)C[N-]C(=O)C(F)(F)F)C2)OCC1=O ZINC001272817744 837368823 /nfs/dbraw/zinc/36/88/23/837368823.db2.gz LDGVHVUMHNMOCS-UHFFFAOYSA-N -1 0 351.325 -0.095 20 0 FBADRM CC[C@@H](C)N1CC2(CN(C(=O)C[N-]C(=O)C(F)(F)F)C2)OCC1=O ZINC001272817752 837369158 /nfs/dbraw/zinc/36/91/58/837369158.db2.gz LODYBKKSVVWZAU-SECBINFHSA-N -1 0 351.325 -0.097 20 0 FBADRM CC[C@H](C)N1CC2(CN(C(=O)C[N-]C(=O)C(F)(F)F)C2)OCC1=O ZINC001272817753 837369524 /nfs/dbraw/zinc/36/95/24/837369524.db2.gz LODYBKKSVVWZAU-VIFPVBQESA-N -1 0 351.325 -0.097 20 0 FBADRM CC(=O)[C@@H](C)N1C(=O)COCC12CN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001272818263 837369249 /nfs/dbraw/zinc/36/92/49/837369249.db2.gz SLAPGORXPIVLIJ-MRVPVSSYSA-N -1 0 365.308 -0.918 20 0 FBADRM CC(=O)[C@H](C)N1C(=O)COCC12CN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001272818264 837369191 /nfs/dbraw/zinc/36/91/91/837369191.db2.gz SLAPGORXPIVLIJ-QMMMGPOBSA-N -1 0 365.308 -0.918 20 0 FBADRM CCCCN1C(=O)COCC12CN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001272818331 837368939 /nfs/dbraw/zinc/36/89/39/837368939.db2.gz VGLQNIVABDHQGO-UHFFFAOYSA-N -1 0 351.325 -0.095 20 0 FBADRM CC[C@@H](C)N1C(=O)COCC12CN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001272818497 837369407 /nfs/dbraw/zinc/36/94/07/837369407.db2.gz XLDLCHNLDIJBOY-SECBINFHSA-N -1 0 351.325 -0.097 20 0 FBADRM CC[C@H](C)N1C(=O)COCC12CN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001272818498 837369309 /nfs/dbraw/zinc/36/93/09/837369309.db2.gz XLDLCHNLDIJBOY-VIFPVBQESA-N -1 0 351.325 -0.097 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1CCC2(C[C@H]2C(=O)NC2COC2)CC1 ZINC001272819147 837369541 /nfs/dbraw/zinc/36/95/41/837369541.db2.gz CLYZAZZPMCJJFV-JTQLQIEISA-N -1 0 363.336 -0.191 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1CCC2(C[C@@H]2C(=O)NC2COC2)CC1 ZINC001272819148 837369214 /nfs/dbraw/zinc/36/92/14/837369214.db2.gz CLYZAZZPMCJJFV-SNVBAGLBSA-N -1 0 363.336 -0.191 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1CC2(C1)CN(CC(F)F)C(=O)CO2 ZINC001272819440 837369663 /nfs/dbraw/zinc/36/96/63/837369663.db2.gz HCPOXDZQSSYTGF-UHFFFAOYSA-N -1 0 359.251 -0.630 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1CC2(C1)COCC(=O)N2CC(F)F ZINC001272819468 837369800 /nfs/dbraw/zinc/36/98/00/837369800.db2.gz HYVGWDFXULFLEW-UHFFFAOYSA-N -1 0 359.251 -0.630 20 0 FBADRM COCCCN1C(=O)COCC12CN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001272819477 837369034 /nfs/dbraw/zinc/36/90/34/837369034.db2.gz IBQBCLPQCLJYHQ-UHFFFAOYSA-N -1 0 367.324 -0.859 20 0 FBADRM CC(C)CN1C(=O)COCC12CN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001272819478 837369111 /nfs/dbraw/zinc/36/91/11/837369111.db2.gz ICHCCKAIYZETBK-UHFFFAOYSA-N -1 0 351.325 -0.239 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@]2(F)C(=O)N(C3COC3)C[C@@]2(F)C1 ZINC001272819693 837369001 /nfs/dbraw/zinc/36/90/01/837369001.db2.gz LRRGCVHBACYUMF-NWDGAFQWSA-N -1 0 371.262 -0.835 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1CCC2(CCN(C3COC3)C2=O)CC1 ZINC001272819745 837369628 /nfs/dbraw/zinc/36/96/28/837369628.db2.gz NRDKXXRHYDREJK-UHFFFAOYSA-N -1 0 363.336 -0.095 20 0 FBADRM CC(C)CN1CC2(CN(C(=O)C[N-]C(=O)C(F)(F)F)C2)OCC1=O ZINC001272819753 837369132 /nfs/dbraw/zinc/36/91/32/837369132.db2.gz OBBGIUGFGWIKDB-UHFFFAOYSA-N -1 0 351.325 -0.239 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1CC[C@@]2(C1)CN(CC(F)F)C(=O)CO2 ZINC001272819813 837369091 /nfs/dbraw/zinc/36/90/91/837369091.db2.gz QJVCUEGDLQXCKA-GFCCVEGCSA-N -1 0 373.278 -0.240 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1CC[C@]2(C1)CN(CC(F)F)C(=O)CO2 ZINC001272819814 837368786 /nfs/dbraw/zinc/36/87/86/837368786.db2.gz QJVCUEGDLQXCKA-LBPRGKRZSA-N -1 0 373.278 -0.240 20 0 FBADRM COCCCN1CC2(CN(C(=O)C[N-]C(=O)C(F)(F)F)C2)OCC1=O ZINC001272820358 837370817 /nfs/dbraw/zinc/37/08/17/837370817.db2.gz ZIHMMVYJVXJOQV-UHFFFAOYSA-N -1 0 367.324 -0.859 20 0 FBADRM NC(=O)c1nnc2n1CCN(C(=O)CSc1n[n-]c(=S)s1)C2 ZINC001272864996 837402074 /nfs/dbraw/zinc/40/20/74/837402074.db2.gz MSOAPSWNIRVGPN-UHFFFAOYSA-N -1 0 357.446 -0.348 20 0 FBADRM Cn1ccnc1NC(=O)[C@H]1CCSC12CN(C(=O)Cc1nnn[n-]1)C2 ZINC001272975049 837550101 /nfs/dbraw/zinc/55/01/01/837550101.db2.gz HYSDRWAVIUYXHG-SECBINFHSA-N -1 0 362.419 -0.552 20 0 FBADRM Cn1ccnc1NC(=O)[C@@H]1CCSC12CN(C(=O)Cc1nnn[n-]1)C2 ZINC001272975050 837550867 /nfs/dbraw/zinc/55/08/67/837550867.db2.gz HYSDRWAVIUYXHG-VIFPVBQESA-N -1 0 362.419 -0.552 20 0 FBADRM CC(C)(C)NC(=O)[C@H]1CN(C(=O)Cc2nnn[n-]2)C[C@H]2CCCO[C@H]21 ZINC001272975282 837550796 /nfs/dbraw/zinc/55/07/96/837550796.db2.gz LPSIYTBKIDSESG-UHIISALHSA-N -1 0 350.423 -0.090 20 0 FBADRM O=C(Cc1nnn[n-]1)N1CC2(C1)SCC[C@@H]2C(=O)Nc1nnco1 ZINC001272975853 837550287 /nfs/dbraw/zinc/55/02/87/837550287.db2.gz WJEXYSHBQIJDQK-SSDOTTSWSA-N -1 0 350.364 -0.902 20 0 FBADRM O=C(Cc1nnn[n-]1)N1CC2(C1)SCC[C@H]2C(=O)Nc1nnco1 ZINC001272975854 837550196 /nfs/dbraw/zinc/55/01/96/837550196.db2.gz WJEXYSHBQIJDQK-ZETCQYMHSA-N -1 0 350.364 -0.902 20 0 FBADRM O=C(Cc1nnn[n-]1)N1CC2(C1)SCC[C@H]2C(=O)NCc1c[nH]cn1 ZINC001272977531 837551876 /nfs/dbraw/zinc/55/18/76/837551876.db2.gz BBODXGUHWQYHRX-JTQLQIEISA-N -1 0 362.419 -0.884 20 0 FBADRM O=C(Cc1nnn[n-]1)N1CC2(C1)SCC[C@@H]2C(=O)NCc1c[nH]cn1 ZINC001272977533 837552157 /nfs/dbraw/zinc/55/21/57/837552157.db2.gz BBODXGUHWQYHRX-SNVBAGLBSA-N -1 0 362.419 -0.884 20 0 FBADRM COCCN(C)C(=O)[C@@H]1CCC[C@]12CCN(C(=O)Cc1nnn[n-]1)C2 ZINC001272977954 837552991 /nfs/dbraw/zinc/55/29/91/837552991.db2.gz DRKNFGNQOXWHDI-BLLLJJGKSA-N -1 0 350.423 -0.134 20 0 FBADRM COCCN(C)C(=O)[C@@H]1CCC[C@@]12CCN(C(=O)Cc1nnn[n-]1)C2 ZINC001272977955 837553277 /nfs/dbraw/zinc/55/32/77/837553277.db2.gz DRKNFGNQOXWHDI-LRDDRELGSA-N -1 0 350.423 -0.134 20 0 FBADRM COCCN(C)C(=O)[C@H]1CCC[C@]12CCN(C(=O)Cc1nnn[n-]1)C2 ZINC001272977956 837553183 /nfs/dbraw/zinc/55/31/83/837553183.db2.gz DRKNFGNQOXWHDI-MLGOLLRUSA-N -1 0 350.423 -0.134 20 0 FBADRM COCCN(C)C(=O)[C@H]1CCC[C@@]12CCN(C(=O)Cc1nnn[n-]1)C2 ZINC001272977957 837552945 /nfs/dbraw/zinc/55/29/45/837552945.db2.gz DRKNFGNQOXWHDI-WBMJQRKESA-N -1 0 350.423 -0.134 20 0 FBADRM CCN(C(=O)[C@H]1COCCC12CN(C(=O)Cc1nnn[n-]1)C2)C(C)C ZINC001272978276 837552706 /nfs/dbraw/zinc/55/27/06/837552706.db2.gz FVNCONGWNCXZBF-GFCCVEGCSA-N -1 0 350.423 -0.136 20 0 FBADRM CCN(C(=O)[C@@H]1COCCC12CN(C(=O)Cc1nnn[n-]1)C2)C(C)C ZINC001272978278 837552622 /nfs/dbraw/zinc/55/26/22/837552622.db2.gz FVNCONGWNCXZBF-LBPRGKRZSA-N -1 0 350.423 -0.136 20 0 FBADRM O=C(Cc1nnn[n-]1)N1CC2(C1)SCC[C@H]2C(=O)N1CCCCO1 ZINC001272978448 837553117 /nfs/dbraw/zinc/55/31/17/837553117.db2.gz ICFFYWOZWKEWHB-JTQLQIEISA-N -1 0 352.420 -0.370 20 0 FBADRM O=C(Cc1nnn[n-]1)N1CC2(C1)SCC[C@@H]2C(=O)N1CCCCO1 ZINC001272978449 837552660 /nfs/dbraw/zinc/55/26/60/837552660.db2.gz ICFFYWOZWKEWHB-SNVBAGLBSA-N -1 0 352.420 -0.370 20 0 FBADRM O=C(Cc1nnn[n-]1)N1CC2(C1)CCOC[C@@H]2C(=O)N1CCCCO1 ZINC001272978852 837554611 /nfs/dbraw/zinc/55/46/11/837554611.db2.gz JONQMOVPKNQCMD-LLVKDONJSA-N -1 0 350.379 -0.839 20 0 FBADRM O=C(Cc1nnn[n-]1)N1CC2(C1)CCOC[C@H]2C(=O)N1CCCCO1 ZINC001272978864 837553674 /nfs/dbraw/zinc/55/36/74/837553674.db2.gz JONQMOVPKNQCMD-NSHDSACASA-N -1 0 350.379 -0.839 20 0 FBADRM O=C(Cc1nnn[n-]1)N1C[C@H]2C[C@H](CC(=O)N3CCCCO3)O[C@H]2C1 ZINC001272979569 837554571 /nfs/dbraw/zinc/55/45/71/837554571.db2.gz NFCYNTNZGNDJQM-UTUOFQBUSA-N -1 0 350.379 -0.698 20 0 FBADRM O=C(Cc1nnn[n-]1)N1C[C@H]2C[C@@H](CC(=O)N3CCCCO3)O[C@H]2C1 ZINC001272979570 837553646 /nfs/dbraw/zinc/55/36/46/837553646.db2.gz NFCYNTNZGNDJQM-WOPDTQHZSA-N -1 0 350.379 -0.698 20 0 FBADRM O=C(Cc1nnn[n-]1)N1C[C@H]2CCCO[C@H]2[C@@H](C(=O)NCC(F)F)C1 ZINC001272980061 837553899 /nfs/dbraw/zinc/55/38/99/837553899.db2.gz NJFDKFTTYNIXMN-VYUIOLGVSA-N -1 0 358.349 -0.623 20 0 FBADRM O=C(Cc1nnn[n-]1)N1CC[C@H](C(=O)NCC(F)F)n2nccc2C1 ZINC001272980121 837554497 /nfs/dbraw/zinc/55/44/97/837554497.db2.gz OLBQQJMIWHVTRY-SECBINFHSA-N -1 0 354.321 -0.706 20 0 FBADRM O=C(Cc1nnn[n-]1)N1CC[C@@H](C(=O)NCC(F)F)n2nccc2C1 ZINC001272980122 837554438 /nfs/dbraw/zinc/55/44/38/837554438.db2.gz OLBQQJMIWHVTRY-VIFPVBQESA-N -1 0 354.321 -0.706 20 0 FBADRM O=C(Cc1nnn[n-]1)N1CCc2nc(C(=O)NCC(F)F)ccc2C1 ZINC001272980217 837554256 /nfs/dbraw/zinc/55/42/56/837554256.db2.gz PEJBFRLWIIOREX-UHFFFAOYSA-N -1 0 351.317 -0.283 20 0 FBADRM C[C@@H]1c2nc(C(=O)NCC(F)F)cn2CCN1C(=O)Cc1nnn[n-]1 ZINC001272980748 837554209 /nfs/dbraw/zinc/55/42/09/837554209.db2.gz QSGGKVGGTSFMHA-SSDOTTSWSA-N -1 0 354.321 -0.463 20 0 FBADRM C[C@H]1c2nc(C(=O)NCC(F)F)cn2CCN1C(=O)Cc1nnn[n-]1 ZINC001272980749 837554355 /nfs/dbraw/zinc/55/43/55/837554355.db2.gz QSGGKVGGTSFMHA-ZETCQYMHSA-N -1 0 354.321 -0.463 20 0 FBADRM COCCN(C)C(=O)[C@@H]1CCSC12CN(C(=O)Cc1nnn[n-]1)C2 ZINC001272981168 837555881 /nfs/dbraw/zinc/55/58/81/837555881.db2.gz XYWPTGXMTLFSGP-JTQLQIEISA-N -1 0 354.436 -0.819 20 0 FBADRM COCCN(C)C(=O)[C@H]1CCSC12CN(C(=O)Cc1nnn[n-]1)C2 ZINC001272981169 837554944 /nfs/dbraw/zinc/55/49/44/837554944.db2.gz XYWPTGXMTLFSGP-SNVBAGLBSA-N -1 0 354.436 -0.819 20 0 FBADRM O=C(Cc1nnn[n-]1)N1Cc2ccnn2CC[C@@H]1C(=O)NCC(F)F ZINC001272981230 837555519 /nfs/dbraw/zinc/55/55/19/837555519.db2.gz ZKOGCTSZJLLIBU-SECBINFHSA-N -1 0 354.321 -0.879 20 0 FBADRM O=C(Cc1nnn[n-]1)N1Cc2ccnn2CC[C@H]1C(=O)NCC(F)F ZINC001272981232 837555013 /nfs/dbraw/zinc/55/50/13/837555013.db2.gz ZKOGCTSZJLLIBU-VIFPVBQESA-N -1 0 354.321 -0.879 20 0 FBADRM NC(=O)c1nnc2n1CCN(C(=O)C([O-])(C(F)(F)F)C(F)(F)F)C2 ZINC001272985689 837561392 /nfs/dbraw/zinc/56/13/92/837561392.db2.gz NRVZGDPAUZKHEQ-UHFFFAOYSA-N -1 0 361.202 -0.425 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCc2[nH]nc(C(=O)N3CC=CC3)c2C1 ZINC001273165483 837794897 /nfs/dbraw/zinc/79/48/97/837794897.db2.gz AEWAKTGTANMCCK-UHFFFAOYSA-N -1 0 360.403 -0.718 20 0 FBADRM CN(C)C(=O)[C@@H]1CCn2nccc2CN1C(=O)Cn1nn[n-]c1=S ZINC001273165651 837794674 /nfs/dbraw/zinc/79/46/74/837794674.db2.gz CPBQIGJKEZLTDF-JTQLQIEISA-N -1 0 350.408 -0.952 20 0 FBADRM CN(C)C(=O)[C@H]1CCn2nccc2CN1C(=O)Cn1nn[n-]c1=S ZINC001273165653 837795078 /nfs/dbraw/zinc/79/50/78/837795078.db2.gz CPBQIGJKEZLTDF-SNVBAGLBSA-N -1 0 350.408 -0.952 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC2(C1)CC[C@H](C(=O)NCC(F)F)O2 ZINC001273165659 837795147 /nfs/dbraw/zinc/79/51/47/837795147.db2.gz CPOMXWCDMPNKKX-SSDOTTSWSA-N -1 0 362.362 -0.897 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC2(C1)CC[C@@H](C(=O)NCC(F)F)O2 ZINC001273165661 837794853 /nfs/dbraw/zinc/79/48/53/837794853.db2.gz CPOMXWCDMPNKKX-ZETCQYMHSA-N -1 0 362.362 -0.897 20 0 FBADRM COCCN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1CN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001273165663 837795126 /nfs/dbraw/zinc/79/51/26/837795126.db2.gz CREICVBFMJYHKS-PTEHBNRSSA-N -1 0 368.463 -0.449 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCn2c(C(=O)NCC(F)F)cnc2C1 ZINC001273165672 837794700 /nfs/dbraw/zinc/79/47/00/837794700.db2.gz CTVUHVHPTBTUKF-UHFFFAOYSA-N -1 0 372.361 -0.804 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCc2onc(C(=O)NCC(F)F)c2C1 ZINC001273165686 837795192 /nfs/dbraw/zinc/79/51/92/837795192.db2.gz CUXDNFJSHACVJW-UHFFFAOYSA-N -1 0 373.345 -0.470 20 0 FBADRM COCCN(C)C(=O)[C@H]1CC12CCN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001273165713 837794991 /nfs/dbraw/zinc/79/49/91/837794991.db2.gz CWNLVLUZRBGRNS-LLVKDONJSA-N -1 0 368.463 -0.305 20 0 FBADRM COCCN(C)C(=O)[C@@H]1CC12CCN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001273165714 837795154 /nfs/dbraw/zinc/79/51/54/837795154.db2.gz CWNLVLUZRBGRNS-NSHDSACASA-N -1 0 368.463 -0.305 20 0 FBADRM CC(C)(C)NC(=O)c1cnc2n1CCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001273165715 837795139 /nfs/dbraw/zinc/79/51/39/837795139.db2.gz CXDIZDIGGNRGJA-UHFFFAOYSA-N -1 0 364.435 -0.271 20 0 FBADRM C[C@@H]1c2nc(C(=O)N(C)C)cn2CCN1C(=O)Cn1nn[n-]c1=S ZINC001273165893 837794693 /nfs/dbraw/zinc/79/46/93/837794693.db2.gz DVPTYKPYWOFSNV-MRVPVSSYSA-N -1 0 350.408 -0.537 20 0 FBADRM C[C@H]1c2nc(C(=O)N(C)C)cn2CCN1C(=O)Cn1nn[n-]c1=S ZINC001273165894 837795053 /nfs/dbraw/zinc/79/50/53/837795053.db2.gz DVPTYKPYWOFSNV-QMMMGPOBSA-N -1 0 350.408 -0.537 20 0 FBADRM Cn1nccc1CNC(=O)[C@@]12C[C@@H]1CCN2C(=O)Cn1nn[n-]c1=S ZINC001273165897 837794661 /nfs/dbraw/zinc/79/46/61/837794661.db2.gz DXXFFUMAJHNILI-LKFCYVNXSA-N -1 0 362.419 -0.997 20 0 FBADRM Cn1nccc1CNC(=O)[C@]12C[C@H]1CCN2C(=O)Cn1nn[n-]c1=S ZINC001273165898 837795034 /nfs/dbraw/zinc/79/50/34/837795034.db2.gz DXXFFUMAJHNILI-OTYXRUKQSA-N -1 0 362.419 -0.997 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCc2c([nH]nc2C(=O)N2CC=CC2)C1 ZINC001273165901 837794821 /nfs/dbraw/zinc/79/48/21/837794821.db2.gz DYLWKRSSRKQJBI-UHFFFAOYSA-N -1 0 360.403 -0.718 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCc2cc(C(=O)NCC(F)F)[nH]c2C1 ZINC001273165964 837795018 /nfs/dbraw/zinc/79/50/18/837795018.db2.gz FJLKJXHXRPBAME-UHFFFAOYSA-N -1 0 371.373 -0.130 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCc2n[nH]c(C(=O)NCC(F)F)c2C1 ZINC001273166010 837794721 /nfs/dbraw/zinc/79/47/21/837794721.db2.gz FRXNBRUWLKXURZ-UHFFFAOYSA-N -1 0 372.361 -0.735 20 0 FBADRM O=C(Cn1nn[n-]c1=S)NC12CC(C(=O)N3CC(F)(C4CC4)C3)(C1)C2 ZINC001273166043 837795005 /nfs/dbraw/zinc/79/50/05/837795005.db2.gz FZKJUOSAMLVTQB-UHFFFAOYSA-N -1 0 366.422 -0.039 20 0 FBADRM C[C@@H](NC(=O)[C@@H]1CC12CN(C(=O)Cn1nn[n-]c1=S)C2)c1ncc[nH]1 ZINC001273166061 837795011 /nfs/dbraw/zinc/79/50/11/837795011.db2.gz GDSMZAJBAQGEET-BDAKNGLRSA-N -1 0 362.419 -0.589 20 0 FBADRM C[C@H](NC(=O)[C@H]1CC12CN(C(=O)Cn1nn[n-]c1=S)C2)c1ncc[nH]1 ZINC001273166064 837795059 /nfs/dbraw/zinc/79/50/59/837795059.db2.gz GDSMZAJBAQGEET-DTWKUNHWSA-N -1 0 362.419 -0.589 20 0 FBADRM C[C@H](NC(=O)[C@@H]1CC12CN(C(=O)Cn1nn[n-]c1=S)C2)c1ncc[nH]1 ZINC001273166068 837794920 /nfs/dbraw/zinc/79/49/20/837794920.db2.gz GDSMZAJBAQGEET-IUCAKERBSA-N -1 0 362.419 -0.589 20 0 FBADRM C[C@@H](NC(=O)[C@H]1CC12CN(C(=O)Cn1nn[n-]c1=S)C2)c1ncc[nH]1 ZINC001273166071 837794997 /nfs/dbraw/zinc/79/49/97/837794997.db2.gz GDSMZAJBAQGEET-RKDXNWHRSA-N -1 0 362.419 -0.589 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCc2c(n[nH]c2C(=O)NCC(F)F)C1 ZINC001273166108 837794686 /nfs/dbraw/zinc/79/46/86/837794686.db2.gz GIXXHXFLIYYSIV-UHFFFAOYSA-N -1 0 372.361 -0.735 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCc2onc(C(=O)N3CC=CC3)c2C1 ZINC001273166161 837795092 /nfs/dbraw/zinc/79/50/92/837795092.db2.gz GRMIFPGVLMYVOH-UHFFFAOYSA-N -1 0 361.387 -0.453 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCn2c(C(=O)N3CC=CC3)cnc2C1 ZINC001273166213 837795162 /nfs/dbraw/zinc/79/51/62/837795162.db2.gz GWLOGABNSCPYFC-UHFFFAOYSA-N -1 0 360.403 -0.787 20 0 FBADRM CN(C)C(=O)[C@H]1CN(C(=O)Cn2nn[n-]c2=S)C[C@H]2CCCO[C@H]21 ZINC001273166230 837795603 /nfs/dbraw/zinc/79/56/03/837795603.db2.gz GYORRDLEWSVNQX-JFGNBEQYSA-N -1 0 354.436 -0.696 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCc2cc(C(=O)N3CC=CC3)[nH]c2C1 ZINC001273166262 837795826 /nfs/dbraw/zinc/79/58/26/837795826.db2.gz HHRPVKISCDFHFT-UHFFFAOYSA-N -1 0 359.415 -0.113 20 0 FBADRM C[C@H](NC(=O)[C@@]12C[C@@H]1CN(C(=O)Cn1nn[n-]c1=S)C2)c1ncc[nH]1 ZINC001273166377 837795843 /nfs/dbraw/zinc/79/58/43/837795843.db2.gz HWWTWNNRPYSUES-ATEUNZGCSA-N -1 0 362.419 -0.589 20 0 FBADRM C[C@@H](NC(=O)[C@@]12C[C@@H]1CN(C(=O)Cn1nn[n-]c1=S)C2)c1ncc[nH]1 ZINC001273166379 837795700 /nfs/dbraw/zinc/79/57/00/837795700.db2.gz HWWTWNNRPYSUES-RFXMVYNHSA-N -1 0 362.419 -0.589 20 0 FBADRM Cc1nc(CNC(=O)C23CC(NC(=O)Cn4nn[n-]c4=S)(C2)C3)no1 ZINC001273166386 837795669 /nfs/dbraw/zinc/79/56/69/837795669.db2.gz IBLTZOXLBMHHBV-UHFFFAOYSA-N -1 0 364.391 -0.991 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC2(C1)SCC[C@H]2C(=O)N1CC=CC1 ZINC001273166413 837795810 /nfs/dbraw/zinc/79/58/10/837795810.db2.gz JBFYFJRKUJOBMW-JTQLQIEISA-N -1 0 366.472 -0.306 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC2(C1)SCC[C@@H]2C(=O)N1CC=CC1 ZINC001273166415 837795977 /nfs/dbraw/zinc/79/59/77/837795977.db2.gz JBFYFJRKUJOBMW-SNVBAGLBSA-N -1 0 366.472 -0.306 20 0 FBADRM CCN(C(=O)C1=NO[C@@H]2CN(C(=O)Cn3nn[n-]c3=S)C[C@H]12)C(C)C ZINC001273166440 837795982 /nfs/dbraw/zinc/79/59/82/837795982.db2.gz JJLNVLKXDWFJEC-VHSXEESVSA-N -1 0 367.435 -0.568 20 0 FBADRM C[C@@H]1CN(C(=O)[C@]23C[C@H]2CCN3C(=O)Cn2nn[n-]c2=S)C[C@@H](C)O1 ZINC001273166454 837795750 /nfs/dbraw/zinc/79/57/50/837795750.db2.gz JSADKQRTOZIUQS-CZFOOCMKSA-N -1 0 366.447 -0.411 20 0 FBADRM C[C@@H]1CN(C(=O)[C@]23C[C@H]2CCN3C(=O)Cn2nn[n-]c2=S)C[C@H](C)O1 ZINC001273166460 837795582 /nfs/dbraw/zinc/79/55/82/837795582.db2.gz JSADKQRTOZIUQS-RSQPEXBXSA-N -1 0 366.447 -0.411 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1Cc2n[nH]c(C(=O)NCC(F)F)c2C1 ZINC001273166461 837795958 /nfs/dbraw/zinc/79/59/58/837795958.db2.gz JUHXEWRZAKHMOQ-UHFFFAOYSA-N -1 0 358.334 -0.778 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCC2(C[C@@H]2C(=O)NCC2COC2)CC1 ZINC001273166522 837795789 /nfs/dbraw/zinc/79/57/89/837795789.db2.gz JXTFKUBSWOQLLD-LLVKDONJSA-N -1 0 366.447 -0.647 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCC2(C[C@H]2C(=O)NCC2COC2)CC1 ZINC001273166524 837795834 /nfs/dbraw/zinc/79/58/34/837795834.db2.gz JXTFKUBSWOQLLD-NSHDSACASA-N -1 0 366.447 -0.647 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)NCC1COC1 ZINC001273166536 837795942 /nfs/dbraw/zinc/79/59/42/837795942.db2.gz KBHPZBVENYFCIP-PTEHBNRSSA-N -1 0 366.447 -0.791 20 0 FBADRM C[C@H](NC(=O)C12CC(NC(=O)Cn3nn[n-]c3=S)(C1)C2)c1ncc[nH]1 ZINC001273166607 837795767 /nfs/dbraw/zinc/79/57/67/837795767.db2.gz KTFISQAIQJUBMT-AHOQVSSZSA-N -1 0 362.419 -0.399 20 0 FBADRM C[C@@H](NC(=O)C12CC(NC(=O)Cn3nn[n-]c3=S)(C1)C2)c1ncc[nH]1 ZINC001273166610 837795799 /nfs/dbraw/zinc/79/57/99/837795799.db2.gz KTFISQAIQJUBMT-UWEQVVMYSA-N -1 0 362.419 -0.399 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@]23C[C@@H]2CN(C(=O)Cn2nn[n-]c2=S)C3)C[C@H](C)O1 ZINC001273166637 837795630 /nfs/dbraw/zinc/79/56/30/837795630.db2.gz KYBHUGMFMBTWKA-JNIYBQFBSA-N -1 0 366.447 -0.554 20 0 FBADRM C[C@H]1CN(C(=O)[C@@]23C[C@@H]2CN(C(=O)Cn2nn[n-]c2=S)C3)C[C@H](C)O1 ZINC001273166639 837795910 /nfs/dbraw/zinc/79/59/10/837795910.db2.gz KYBHUGMFMBTWKA-KIGUWFBYSA-N -1 0 366.447 -0.554 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@]23C[C@@H]2CN(C(=O)Cn2nn[n-]c2=S)C3)C[C@@H](C)O1 ZINC001273166754 837795860 /nfs/dbraw/zinc/79/58/60/837795860.db2.gz KYBHUGMFMBTWKA-UYUMYWFVSA-N -1 0 366.447 -0.554 20 0 FBADRM NC(=O)C1=NO[C@@H]2[C@H]1CCC21CCN(C(=O)Cn2nn[n-]c2=S)CC1 ZINC001273166782 837795738 /nfs/dbraw/zinc/79/57/38/837795738.db2.gz LIMFZKNNKWQTQC-GZMMTYOYSA-N -1 0 365.419 -0.779 20 0 FBADRM CCN(C(=O)[C@H]1CCC2(CN(C(=O)Cn3nn[n-]c3=S)C2)O1)C(C)C ZINC001273166807 837795621 /nfs/dbraw/zinc/79/56/21/837795621.db2.gz LYJAQYCUFIKWOZ-LLVKDONJSA-N -1 0 368.463 -0.021 20 0 FBADRM CCN(C(=O)[C@@H]1CCC2(CN(C(=O)Cn3nn[n-]c3=S)C2)O1)C(C)C ZINC001273166808 837795819 /nfs/dbraw/zinc/79/58/19/837795819.db2.gz LYJAQYCUFIKWOZ-NSHDSACASA-N -1 0 368.463 -0.021 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CC23CN(C(=O)Cn2nn[n-]c2=S)C3)C[C@H](C)O1 ZINC001273166810 837795638 /nfs/dbraw/zinc/79/56/38/837795638.db2.gz LYWLLTHLYNVYIN-AXFHLTTASA-N -1 0 366.447 -0.554 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2CC23CN(C(=O)Cn2nn[n-]c2=S)C3)C[C@@H](C)O1 ZINC001273166811 837795891 /nfs/dbraw/zinc/79/58/91/837795891.db2.gz LYWLLTHLYNVYIN-GMTAPVOTSA-N -1 0 366.447 -0.554 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CC23CN(C(=O)Cn2nn[n-]c2=S)C3)C[C@@H](C)O1 ZINC001273166812 837795950 /nfs/dbraw/zinc/79/59/50/837795950.db2.gz LYWLLTHLYNVYIN-MXWKQRLJSA-N -1 0 366.447 -0.554 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2CC23CN(C(=O)Cn2nn[n-]c2=S)C3)C[C@H](C)O1 ZINC001273166813 837795814 /nfs/dbraw/zinc/79/58/14/837795814.db2.gz LYWLLTHLYNVYIN-OUAUKWLOSA-N -1 0 366.447 -0.554 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC[C@@H]2C[C@@]21C(=O)N1CC(F)(C2CC2)C1 ZINC001273166816 837795726 /nfs/dbraw/zinc/79/57/26/837795726.db2.gz MAWGQZNNMMPMRN-BMIGLBTASA-N -1 0 366.422 -0.087 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC[C@H]2C[C@]21C(=O)N1CC(F)(C2CC2)C1 ZINC001273166819 837795929 /nfs/dbraw/zinc/79/59/29/837795929.db2.gz MAWGQZNNMMPMRN-ZUZCIYMTSA-N -1 0 366.422 -0.087 20 0 FBADRM C[C@@H]1c2ncc(CC(=O)N(C)C)n2CCN1C(=O)Cn1nn[n-]c1=S ZINC001273166835 837795646 /nfs/dbraw/zinc/79/56/46/837795646.db2.gz MLQBZGAUQTVUBG-SECBINFHSA-N -1 0 364.435 -0.608 20 0 FBADRM C[C@H]1c2ncc(CC(=O)N(C)C)n2CCN1C(=O)Cn1nn[n-]c1=S ZINC001273166836 837795881 /nfs/dbraw/zinc/79/58/81/837795881.db2.gz MLQBZGAUQTVUBG-VIFPVBQESA-N -1 0 364.435 -0.608 20 0 FBADRM CN(C)C(=O)[C@@H]1CN(C(=O)Cn2nn[n-]c2=S)C[C@H]1c1cn(C)cn1 ZINC001273166843 837796002 /nfs/dbraw/zinc/79/60/02/837796002.db2.gz MXWYWHBFXWHUQG-NXEZZACHSA-N -1 0 364.435 -0.974 20 0 FBADRM Cn1nccc1CNC(=O)C12CC(NC(=O)Cn3nn[n-]c3=S)(C1)C2 ZINC001273166869 837795660 /nfs/dbraw/zinc/79/56/60/837795660.db2.gz NBECGIRDJPJKKR-UHFFFAOYSA-N -1 0 362.419 -0.949 20 0 FBADRM CN(C)C(=O)[C@@H]1CCN(C(=O)Cn2nn[n-]c2=S)Cc2ccnn21 ZINC001273167111 837796898 /nfs/dbraw/zinc/79/68/98/837796898.db2.gz NPOMWTJPMRASOD-JTQLQIEISA-N -1 0 350.408 -0.780 20 0 FBADRM CN(C)C(=O)[C@H]1CCN(C(=O)Cn2nn[n-]c2=S)Cc2ccnn21 ZINC001273167120 837796854 /nfs/dbraw/zinc/79/68/54/837796854.db2.gz NPOMWTJPMRASOD-SNVBAGLBSA-N -1 0 350.408 -0.780 20 0 FBADRM CC(C)(C)NC(=O)c1cn2c(n1)CN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001273167346 837795612 /nfs/dbraw/zinc/79/56/12/837795612.db2.gz QNCBOQFDLQGGTB-UHFFFAOYSA-N -1 0 364.435 -0.271 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC2(C1)CC[C@@H](C(=O)N1CC=CC1)O2 ZINC001273167379 837796860 /nfs/dbraw/zinc/79/68/60/837796860.db2.gz QYJSHZUOARGQHH-JTQLQIEISA-N -1 0 350.404 -0.880 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC2(C1)CC[C@H](C(=O)N1CC=CC1)O2 ZINC001273167381 837796889 /nfs/dbraw/zinc/79/68/89/837796889.db2.gz QYJSHZUOARGQHH-SNVBAGLBSA-N -1 0 350.404 -0.880 20 0 FBADRM C[C@H](NC(=O)[C@]12C[C@H]1CCN2C(=O)Cn1nn[n-]c1=S)c1ncc[nH]1 ZINC001273167461 837796963 /nfs/dbraw/zinc/79/69/63/837796963.db2.gz RMZVFBHSKLDGGP-QIBSRJKCSA-N -1 0 362.419 -0.447 20 0 FBADRM C[C@H](NC(=O)[C@@]12C[C@@H]1CCN2C(=O)Cn1nn[n-]c1=S)c1ncc[nH]1 ZINC001273167465 837796653 /nfs/dbraw/zinc/79/66/53/837796653.db2.gz RMZVFBHSKLDGGP-UINNMSKDSA-N -1 0 362.419 -0.447 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC2(C[C@H]2C(=O)N2CC(F)(C3CC3)C2)C1 ZINC001273167485 837796892 /nfs/dbraw/zinc/79/68/92/837796892.db2.gz RPTCOIWFRNRYTJ-JTQLQIEISA-N -1 0 366.422 -0.229 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC2(C[C@@H]2C(=O)N2CC(F)(C3CC3)C2)C1 ZINC001273167489 837796936 /nfs/dbraw/zinc/79/69/36/837796936.db2.gz RPTCOIWFRNRYTJ-SNVBAGLBSA-N -1 0 366.422 -0.229 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1Cc2[nH]nc(C(=O)N3CCCCO3)c2C1 ZINC001273167540 837796808 /nfs/dbraw/zinc/79/68/08/837796808.db2.gz RWIKRYZVWCRAIO-UHFFFAOYSA-N -1 0 364.391 -0.605 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1COC1 ZINC001273167624 837796587 /nfs/dbraw/zinc/79/65/87/837796587.db2.gz SNVKZPXBSXSXPI-RSLMWUCJSA-N -1 0 366.447 -0.745 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC2(C1)CCOC[C@@H]2C(=O)N1CC=CC1 ZINC001273167645 837796782 /nfs/dbraw/zinc/79/67/82/837796782.db2.gz SRXYERWFIYAIRG-LLVKDONJSA-N -1 0 364.431 -0.775 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC2(C1)CCOC[C@H]2C(=O)N1CC=CC1 ZINC001273167646 837796867 /nfs/dbraw/zinc/79/68/67/837796867.db2.gz SRXYERWFIYAIRG-NSHDSACASA-N -1 0 364.431 -0.775 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)NCC(F)F ZINC001273167650 837796632 /nfs/dbraw/zinc/79/66/32/837796632.db2.gz SYWGPKOJCWNRPK-AKZRSSKFSA-N -1 0 360.390 -0.172 20 0 FBADRM C[C@H]1CN(C(=O)C23CC(NC(=O)Cn4nn[n-]c4=S)(C2)C3)C[C@H](C)O1 ZINC001273167778 837796607 /nfs/dbraw/zinc/79/66/07/837796607.db2.gz VTWHCGJUZTUJMA-FUJWFWLKSA-N -1 0 366.447 -0.364 20 0 FBADRM C[C@@H]1CN(C(=O)C23CC(NC(=O)Cn4nn[n-]c4=S)(C2)C3)C[C@@H](C)O1 ZINC001273167780 837796563 /nfs/dbraw/zinc/79/65/63/837796563.db2.gz VTWHCGJUZTUJMA-OAAXVMEWSA-N -1 0 366.447 -0.364 20 0 FBADRM C[C@@H]1CN(C(=O)C23CC(NC(=O)Cn4nn[n-]c4=S)(C2)C3)C[C@H](C)O1 ZINC001273167783 837796676 /nfs/dbraw/zinc/79/66/76/837796676.db2.gz VTWHCGJUZTUJMA-SEGBCRLWSA-N -1 0 366.447 -0.364 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC2(C1)CC[C@@H](C(=O)N1CCCCO1)O2 ZINC001273168084 837796667 /nfs/dbraw/zinc/79/66/67/837796667.db2.gz XOFAUSZSRBLYPW-JTQLQIEISA-N -1 0 368.419 -0.724 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC2(C1)CC[C@H](C(=O)N1CCCCO1)O2 ZINC001273168085 837796798 /nfs/dbraw/zinc/79/67/98/837796798.db2.gz XOFAUSZSRBLYPW-SNVBAGLBSA-N -1 0 368.419 -0.724 20 0 FBADRM COCCN(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)Cn1nn[n-]c1=S ZINC001273168099 837796639 /nfs/dbraw/zinc/79/66/39/837796639.db2.gz XZHUOLJLZNQMSA-RSLMWUCJSA-N -1 0 368.463 -0.403 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCn2cc(C(=O)N3CC=CC3)nc2C1 ZINC001273168118 837796660 /nfs/dbraw/zinc/79/66/60/837796660.db2.gz YGKCRAKDFCCRIY-UHFFFAOYSA-N -1 0 360.403 -0.787 20 0 FBADRM CC(C)(C)NC(=O)c1nnc2n1CCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001273168141 837797461 /nfs/dbraw/zinc/79/74/61/837797461.db2.gz YKYZBTLYFOSPSP-UHFFFAOYSA-N -1 0 365.423 -0.876 20 0 FBADRM O=C(C[C@H]1C[C@@H]2CN(C(=O)Cn3nn[n-]c3=S)C[C@@H]2O1)N1CC=CC1 ZINC001273168161 837797802 /nfs/dbraw/zinc/79/78/02/837797802.db2.gz YTVBQBMSUFQDSB-UTUOFQBUSA-N -1 0 364.431 -0.634 20 0 FBADRM O=C(C[C@@H]1C[C@@H]2CN(C(=O)Cn3nn[n-]c3=S)C[C@@H]2O1)N1CC=CC1 ZINC001273168163 837797689 /nfs/dbraw/zinc/79/76/89/837797689.db2.gz YTVBQBMSUFQDSB-WOPDTQHZSA-N -1 0 364.431 -0.634 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1C[C@H]2C[C@@]2(C(=O)N2CC(F)(C3CC3)C2)C1 ZINC001273168179 837797584 /nfs/dbraw/zinc/79/75/84/837797584.db2.gz YZMODDOZZAYCDJ-QMTHXVAHSA-N -1 0 366.422 -0.229 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCn2cc(C(=O)NCC(F)F)nc2C1 ZINC001273168190 837797643 /nfs/dbraw/zinc/79/76/43/837797643.db2.gz ZHNURSNEGKJVFJ-UHFFFAOYSA-N -1 0 372.361 -0.804 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC(F)F ZINC001273168237 837797820 /nfs/dbraw/zinc/79/78/20/837797820.db2.gz ZPIHKOWTRIQAIS-GJOTXNKNSA-N -1 0 360.390 -0.126 20 0 FBADRM CC(C)(C)NC(=O)c1[nH]nc2c1CN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001273169548 837797851 /nfs/dbraw/zinc/79/78/51/837797851.db2.gz FHDXQSHWXLERGA-UHFFFAOYSA-N -1 0 364.435 -0.202 20 0 FBADRM CC(C)(C)NC(=O)C1=NO[C@@H]2CN(C(=O)Cn3nn[n-]c3=S)C[C@H]12 ZINC001273169858 837797592 /nfs/dbraw/zinc/79/75/92/837797592.db2.gz HBAOCVGIRSTFAT-JGVFFNPUSA-N -1 0 353.408 -0.910 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1cn[nH]c1 ZINC001273169893 837798417 /nfs/dbraw/zinc/79/84/17/837798417.db2.gz HMERSKLPYVSGQE-UFGYURQFSA-N -1 0 362.419 -0.146 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCC2(C[C@@H]2C(=O)Nc2nnco2)CC1 ZINC001273169937 837798539 /nfs/dbraw/zinc/79/85/39/837798539.db2.gz IHWAHWLORHYQNN-MRVPVSSYSA-N -1 0 364.391 -0.388 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCC2(C[C@H]2C(=O)Nc2nnco2)CC1 ZINC001273169939 837798733 /nfs/dbraw/zinc/79/87/33/837798733.db2.gz IHWAHWLORHYQNN-QMMMGPOBSA-N -1 0 364.391 -0.388 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC2(C1)CC[C@H](C(=O)Nc1cn[nH]c1)O2 ZINC001273170157 837797741 /nfs/dbraw/zinc/79/77/41/837797741.db2.gz JRYSIPIZZDNSPQ-SECBINFHSA-N -1 0 364.391 -0.916 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CC2(C1)CC[C@@H](C(=O)Nc1cn[nH]c1)O2 ZINC001273170158 837797649 /nfs/dbraw/zinc/79/76/49/837797649.db2.gz JRYSIPIZZDNSPQ-VIFPVBQESA-N -1 0 364.391 -0.916 20 0 FBADRM CC(C)(C)NC(=O)[C@@H]1COCCC12CN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001273170188 837797609 /nfs/dbraw/zinc/79/76/09/837797609.db2.gz KGXYGRIWVJDKHI-JTQLQIEISA-N -1 0 368.463 -0.258 20 0 FBADRM CC(C)(C)NC(=O)[C@H]1COCCC12CN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001273170189 837797499 /nfs/dbraw/zinc/79/74/99/837797499.db2.gz KGXYGRIWVJDKHI-SNVBAGLBSA-N -1 0 368.463 -0.258 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)Nc1cn[nH]c1 ZINC001273170200 837797864 /nfs/dbraw/zinc/79/78/64/837797864.db2.gz KQFFAMPNJADGIH-BZBKMWRSSA-N -1 0 362.419 -0.192 20 0 FBADRM CC(C)(C)NC(=O)[C@H]1CCC2(CN(C(=O)Cn3nn[n-]c3=S)C2)O1 ZINC001273170224 837797855 /nfs/dbraw/zinc/79/78/55/837797855.db2.gz LPGXBTKSPNJLLV-SECBINFHSA-N -1 0 354.436 -0.364 20 0 FBADRM CC(C)(C)NC(=O)[C@@H]1CCC2(CN(C(=O)Cn3nn[n-]c3=S)C2)O1 ZINC001273170225 837797726 /nfs/dbraw/zinc/79/77/26/837797726.db2.gz LPGXBTKSPNJLLV-VIFPVBQESA-N -1 0 354.436 -0.364 20 0 FBADRM CC(C)(C)NC(=O)c1[nH]nc2c1CN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001273170798 837798511 /nfs/dbraw/zinc/79/85/11/837798511.db2.gz QMJMIXWLFGTLIA-UHFFFAOYSA-N -1 0 350.408 -0.244 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1Cc2[nH]nc(C(=O)Nc3cn[nH]c3)c2C1 ZINC001273171155 837799611 /nfs/dbraw/zinc/79/96/11/837799611.db2.gz RLWJSQISAARXAV-UHFFFAOYSA-N -1 0 360.363 -0.797 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCC2(C[C@H]2C(=O)Nc2cn[nH]c2)CC1 ZINC001273171191 837799187 /nfs/dbraw/zinc/79/91/87/837799187.db2.gz SXNUQKHDTZXZDU-JTQLQIEISA-N -1 0 362.419 -0.048 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1CCC2(C[C@@H]2C(=O)Nc2cn[nH]c2)CC1 ZINC001273171192 837799220 /nfs/dbraw/zinc/79/92/20/837799220.db2.gz SXNUQKHDTZXZDU-SNVBAGLBSA-N -1 0 362.419 -0.048 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)Nc1nnco1 ZINC001273171698 837799731 /nfs/dbraw/zinc/79/97/31/837799731.db2.gz VRWLLTWAHCQSQK-DIYOJNKTSA-N -1 0 364.391 -0.532 20 0 FBADRM CC(C)(C)NC(=O)C[C@H]1C[C@@H]2CN(C(=O)Cn3nn[n-]c3=S)C[C@@H]2O1 ZINC001273171787 837799311 /nfs/dbraw/zinc/79/93/11/837799311.db2.gz WHARISZQENYZBB-MXWKQRLJSA-N -1 0 368.463 -0.118 20 0 FBADRM CC(C)(C)NC(=O)C[C@@H]1C[C@@H]2CN(C(=O)Cn3nn[n-]c3=S)C[C@@H]2O1 ZINC001273171788 837799337 /nfs/dbraw/zinc/79/93/37/837799337.db2.gz WHARISZQENYZBB-VWYCJHECSA-N -1 0 368.463 -0.118 20 0 FBADRM CC(C)(C)NC(=O)c1[nH]nc2c1CCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001273172362 837799373 /nfs/dbraw/zinc/79/93/73/837799373.db2.gz YLSPYDSXRJEQLY-UHFFFAOYSA-N -1 0 364.435 -0.202 20 0 FBADRM O=C(Cn1nn[n-]c1=S)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1nnco1 ZINC001273172428 837799165 /nfs/dbraw/zinc/79/91/65/837799165.db2.gz ZPGFRKBWIVKPEG-GOZTYBTRSA-N -1 0 364.391 -0.486 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1noc2c1CN(C(=O)[C@H]1CC1(F)F)CC2 ZINC001273186985 837803669 /nfs/dbraw/zinc/80/36/69/837803669.db2.gz JWVDIUULKKJZCO-SSDOTTSWSA-N -1 0 353.289 -0.588 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1noc2c1CN(C(=O)[C@@H]1CC1(F)F)CC2 ZINC001273186988 837803963 /nfs/dbraw/zinc/80/39/63/837803963.db2.gz JWVDIUULKKJZCO-ZETCQYMHSA-N -1 0 353.289 -0.588 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1cc2c([nH]1)CN(C(=O)[C@H]1CC1(F)F)CC2 ZINC001273187147 837804008 /nfs/dbraw/zinc/80/40/08/837804008.db2.gz KEUXHXMKNYZJHP-MRVPVSSYSA-N -1 0 351.317 -0.248 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1cc2c([nH]1)CN(C(=O)[C@@H]1CC1(F)F)CC2 ZINC001273187150 837804253 /nfs/dbraw/zinc/80/42/53/837804253.db2.gz KEUXHXMKNYZJHP-QMMMGPOBSA-N -1 0 351.317 -0.248 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1CC1(F)F)CC2 ZINC001273187217 837804018 /nfs/dbraw/zinc/80/40/18/837804018.db2.gz KNHRFFJURPXSEW-SSDOTTSWSA-N -1 0 352.305 -0.853 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)[C@@H]1CC1(F)F)CC2 ZINC001273187220 837803892 /nfs/dbraw/zinc/80/38/92/837803892.db2.gz KNHRFFJURPXSEW-ZETCQYMHSA-N -1 0 352.305 -0.853 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CCN(C(=O)[C@H]1CC1(F)F)C2 ZINC001273187310 837803578 /nfs/dbraw/zinc/80/35/78/837803578.db2.gz LHJZBFFDXWUYMI-SSDOTTSWSA-N -1 0 352.305 -0.853 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CCN(C(=O)[C@@H]1CC1(F)F)C2 ZINC001273187312 837803920 /nfs/dbraw/zinc/80/39/20/837803920.db2.gz LHJZBFFDXWUYMI-ZETCQYMHSA-N -1 0 352.305 -0.853 20 0 FBADRM CN(CC(=O)N1CCCC[C@]12CC(=O)N(C)C2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001273289766 839151518 /nfs/dbraw/zinc/15/15/18/839151518.db2.gz PIDHZVPLHXSFPF-CYBMUJFWSA-N -1 0 361.339 -0.851 20 0 FBADRM CN(CC(=O)N1CCCC[C@@]12CC(=O)N(C)C2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001273289767 839151732 /nfs/dbraw/zinc/15/17/32/839151732.db2.gz PIDHZVPLHXSFPF-ZDUSSCGKSA-N -1 0 361.339 -0.851 20 0 FBADRM CN(CC(=O)N1CCC2(CCN(C)C2=O)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001273290278 839151801 /nfs/dbraw/zinc/15/18/01/839151801.db2.gz YKIJWEOLBHCVPX-UHFFFAOYSA-N -1 0 361.339 -0.994 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)/C=C/C(F)(F)F)C2 ZINC001273529810 840539108 /nfs/dbraw/zinc/53/91/08/840539108.db2.gz SFCPTPJHWQZIAT-NSCUHMNNSA-N -1 0 356.268 -0.432 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)C(F)(F)C(F)F)C2 ZINC001273539744 840563703 /nfs/dbraw/zinc/56/37/03/840563703.db2.gz MNCVXTPCVTXLEU-UHFFFAOYSA-N -1 0 362.247 -0.650 20 0 FBADRM COC(CN1CC2(CN(C(=O)c3ccncc3[O-])C2)OCC1=O)OC ZINC001273722720 841361027 /nfs/dbraw/zinc/36/10/27/841361027.db2.gz CZWIWVNEHOTYMZ-UHFFFAOYSA-N -1 0 351.359 -0.541 20 0 FBADRM COC(CN1C(=O)COCC12CN(C(=O)c1ccncc1[O-])C2)OC ZINC001273722830 841360382 /nfs/dbraw/zinc/36/03/82/841360382.db2.gz GPEPSHIWZUARDC-UHFFFAOYSA-N -1 0 351.359 -0.541 20 0 FBADRM COCCOCN1C(=O)COCC12CN(C(=O)c1ccncc1[O-])C2 ZINC001273723653 841367148 /nfs/dbraw/zinc/36/71/48/841367148.db2.gz OCNZJQZEKPGCDG-UHFFFAOYSA-N -1 0 351.359 -0.539 20 0 FBADRM COCCOCN1CC2(CN(C(=O)c3ccncc3[O-])C2)OCC1=O ZINC001273723720 841365938 /nfs/dbraw/zinc/36/59/38/841365938.db2.gz QMHKMMOOFZZKRQ-UHFFFAOYSA-N -1 0 351.359 -0.539 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@H]2[C@H](C1)OCCN2Cc1cn[nH]c1 ZINC001273785233 841681589 /nfs/dbraw/zinc/68/15/89/841681589.db2.gz AOCXIQMMJZYAPX-MNOVXSKESA-N -1 0 361.324 -0.500 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@H]2OCCN(Cc3cn[nH]c3)[C@H]2C1 ZINC001273785234 841681125 /nfs/dbraw/zinc/68/11/25/841681125.db2.gz AOCXIQMMJZYAPX-QWRGUYRKSA-N -1 0 361.324 -0.500 20 0 FBADRM CN(C)S(=O)(=O)N1C[C@H]2C[C@@H](C1)N(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001273785245 841681071 /nfs/dbraw/zinc/68/10/71/841681071.db2.gz AXPSHAPPMBJDSR-BDAKNGLRSA-N -1 0 372.369 -0.996 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@H]2COC[C@H](C1)N2Cc1cn[nH]c1 ZINC001273785322 841681385 /nfs/dbraw/zinc/68/13/85/841681385.db2.gz BTCDEPOHHBTDMK-PHIMTYICSA-N -1 0 361.324 -0.500 20 0 FBADRM CC(C)NC(=O)N1C[C@@H]2COC[C@H](C1)N2C(=O)C[N-]C(=O)C(F)(F)F ZINC001273785653 841682456 /nfs/dbraw/zinc/68/24/56/841682456.db2.gz GJXUAVAGNROQJW-AOOOYVTPSA-N -1 0 366.340 -0.306 20 0 FBADRM CN(C)S(=O)(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[N-]C(=O)C(F)(F)F ZINC001273785809 841682391 /nfs/dbraw/zinc/68/23/91/841682391.db2.gz HKBUOZQAGIQGJZ-IUCAKERBSA-N -1 0 372.369 -0.854 20 0 FBADRM CN(C)C(=O)CN1CC2(C1)CCN(C(=O)C[N-]C(=O)C(F)(F)F)CC2 ZINC001273786003 841682520 /nfs/dbraw/zinc/68/25/20/841682520.db2.gz LMEYWECSEIYHNJ-UHFFFAOYSA-N -1 0 364.368 -0.323 20 0 FBADRM COCCOCN1CC[C@H]2[C@@H]1CCN2C(=O)C[N-]C(=O)C(F)(F)F ZINC001273786004 841682311 /nfs/dbraw/zinc/68/23/11/841682311.db2.gz LMIZMEGFNWQVKT-QWRGUYRKSA-N -1 0 353.341 -0.039 20 0 FBADRM COCCOCN1C[C@@H]2CN(C(=O)C[N-]C(=O)C(F)(F)F)C[C@H](C1)O2 ZINC001273786011 841682618 /nfs/dbraw/zinc/68/26/18/841682618.db2.gz LNLWIOLDIKDGNO-PHIMTYICSA-N -1 0 369.340 -0.803 20 0 FBADRM COCCOCN1C[C@H]2C[C@@H](C1)N(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001273786028 841682688 /nfs/dbraw/zinc/68/26/88/841682688.db2.gz LWFCENXUNDXQSN-MNOVXSKESA-N -1 0 353.341 -0.182 20 0 FBADRM CN(C)C(=O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[N-]C(=O)C(F)(F)F ZINC001273786050 841682657 /nfs/dbraw/zinc/68/26/57/841682657.db2.gz MCRWMFIDSNGRQD-AOOOYVTPSA-N -1 0 350.341 -0.572 20 0 FBADRM COCCOCN1CCC2(CN(C(=O)C[N-]C(=O)C(F)(F)F)C2)C1 ZINC001273786052 841682706 /nfs/dbraw/zinc/68/27/06/841682706.db2.gz MEAQZAVAVPUISW-UHFFFAOYSA-N -1 0 353.341 -0.180 20 0 FBADRM CC(C)NC(=O)N1CCO[C@H]2CN(C(=O)C[N-]C(=O)C(F)(F)F)C[C@@H]21 ZINC001273786053 841682370 /nfs/dbraw/zinc/68/23/70/841682370.db2.gz MEVKIAMIIIYGSG-UWVGGRQHSA-N -1 0 366.340 -0.306 20 0 FBADRM CC(C)NC(=O)N1CCO[C@H]2CN(C(=O)C[N-]C(=O)C(F)(F)F)C[C@H]21 ZINC001273786054 841682642 /nfs/dbraw/zinc/68/26/42/841682642.db2.gz MEVKIAMIIIYGSG-ZJUUUORDSA-N -1 0 366.340 -0.306 20 0 FBADRM CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001273786068 841682564 /nfs/dbraw/zinc/68/25/64/841682564.db2.gz MRXIJZSORNTGTA-ZJUUUORDSA-N -1 0 350.341 -0.714 20 0 FBADRM CN(C)S(=O)(=O)N1C[C@@H]2CCN(C(=O)C[N-]C(=O)C(F)(F)F)[C@@H]2C1 ZINC001273786093 841682215 /nfs/dbraw/zinc/68/22/15/841682215.db2.gz NKWUIWBTXPYFEY-DTWKUNHWSA-N -1 0 372.369 -0.996 20 0 FBADRM COCCOCN1C[C@@H]2CCN(C(=O)C[N-]C(=O)C(F)(F)F)[C@@H]2C1 ZINC001273786115 841682579 /nfs/dbraw/zinc/68/25/79/841682579.db2.gz OAJKKSWSGSQQOG-WDEREUQCSA-N -1 0 353.341 -0.182 20 0 FBADRM COCCOCN1CCO[C@H]2CN(C(=O)C[N-]C(=O)C(F)(F)F)C[C@H]21 ZINC001273786136 841682175 /nfs/dbraw/zinc/68/21/75/841682175.db2.gz OPYFGURIRBFINM-MNOVXSKESA-N -1 0 369.340 -0.803 20 0 FBADRM COCCOCN1CCO[C@H]2CN(C(=O)C[N-]C(=O)C(F)(F)F)C[C@@H]21 ZINC001273786137 841682589 /nfs/dbraw/zinc/68/25/89/841682589.db2.gz OPYFGURIRBFINM-QWRGUYRKSA-N -1 0 369.340 -0.803 20 0 FBADRM CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C[N-]C(=O)C(F)(F)F ZINC001273786176 841682408 /nfs/dbraw/zinc/68/24/08/841682408.db2.gz PTHFHEPYKPOJKF-DTORHVGOSA-N -1 0 372.369 -0.854 20 0 FBADRM CN(C)S(=O)(=O)N1CCC2(CN(C(=O)C[N-]C(=O)C(F)(F)F)C2)C1 ZINC001273786177 841682240 /nfs/dbraw/zinc/68/22/40/841682240.db2.gz PVXZEJPPFWYKTN-UHFFFAOYSA-N -1 0 372.369 -0.994 20 0 FBADRM CN(C)C(=O)CN1CC2(C1)CCCN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001273786207 841682275 /nfs/dbraw/zinc/68/22/75/841682275.db2.gz QQIQZCYRIWYZFZ-UHFFFAOYSA-N -1 0 364.368 -0.323 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1C[C@H]2CN(Cc3cn[nH]c3)C[C@@H](C1)O2 ZINC001273786268 841682469 /nfs/dbraw/zinc/68/24/69/841682469.db2.gz SNJZWJLFAJZHED-PHIMTYICSA-N -1 0 361.324 -0.500 20 0 FBADRM COCCOCN1C[C@@H]2COC[C@H](C1)N2C(=O)C[N-]C(=O)C(F)(F)F ZINC001273786274 841682193 /nfs/dbraw/zinc/68/21/93/841682193.db2.gz SSVNRBOLUOSDEJ-PHIMTYICSA-N -1 0 369.340 -0.803 20 0 FBADRM COCCOCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[N-]C(=O)C(F)(F)F ZINC001273786454 841681719 /nfs/dbraw/zinc/68/17/19/841681719.db2.gz YUJLKLWQKDGWMP-PHIMTYICSA-N -1 0 353.341 -0.039 20 0 FBADRM CC(C)NC(=O)N1C[C@H]2CN(C(=O)C[N-]C(=O)C(F)(F)F)C[C@@H](C1)O2 ZINC001273786483 841681700 /nfs/dbraw/zinc/68/17/00/841681700.db2.gz ZKACAAMEWYTPMY-AOOOYVTPSA-N -1 0 366.340 -0.306 20 0 FBADRM COCCCN1CC[C@@]2(CCN(C(=O)c3c[nH]c(=O)c(=O)[n-]3)C2)C1=O ZINC001273954222 841744622 /nfs/dbraw/zinc/74/46/22/841744622.db2.gz BDHXKVHDFWOGQK-INIZCTEOSA-N -1 0 350.375 -0.836 20 0 FBADRM COCCCN1CC[C@]2(CCN(C(=O)c3c[nH]c(=O)c(=O)[n-]3)C2)C1=O ZINC001273954223 841744723 /nfs/dbraw/zinc/74/47/23/841744723.db2.gz BDHXKVHDFWOGQK-MRXNPFEDSA-N -1 0 350.375 -0.836 20 0 FBADRM CCOCCN1CC[C@@]2(CCCN2C(=O)c2c[nH]c(=O)c(=O)[n-]2)C1=O ZINC001273954279 841744804 /nfs/dbraw/zinc/74/48/04/841744804.db2.gz BYJHZWDQWQKAQZ-INIZCTEOSA-N -1 0 350.375 -0.693 20 0 FBADRM CCOCCN1CC[C@]2(CCCN2C(=O)c2c[nH]c(=O)c(=O)[n-]2)C1=O ZINC001273954281 841744855 /nfs/dbraw/zinc/74/48/55/841744855.db2.gz BYJHZWDQWQKAQZ-MRXNPFEDSA-N -1 0 350.375 -0.693 20 0 FBADRM COCCCN1CC[C@@]2(CCCN2C(=O)c2c[nH]c(=O)c(=O)[n-]2)C1=O ZINC001273954316 841744726 /nfs/dbraw/zinc/74/47/26/841744726.db2.gz CGSDJMIUOUUQBO-INIZCTEOSA-N -1 0 350.375 -0.693 20 0 FBADRM COCCCN1CC[C@]2(CCCN2C(=O)c2c[nH]c(=O)c(=O)[n-]2)C1=O ZINC001273954317 841744900 /nfs/dbraw/zinc/74/49/00/841744900.db2.gz CGSDJMIUOUUQBO-MRXNPFEDSA-N -1 0 350.375 -0.693 20 0 FBADRM CCCCN1C[C@]2(CCN(C(=O)c3c[nH]c(=O)c(=O)[n-]3)C2)OCC1=O ZINC001273954371 841744905 /nfs/dbraw/zinc/74/49/05/841744905.db2.gz CWURISQQGJXOMG-INIZCTEOSA-N -1 0 350.375 -0.693 20 0 FBADRM CCCCN1C[C@@]2(CCN(C(=O)c3c[nH]c(=O)c(=O)[n-]3)C2)OCC1=O ZINC001273954372 841744717 /nfs/dbraw/zinc/74/47/17/841744717.db2.gz CWURISQQGJXOMG-MRXNPFEDSA-N -1 0 350.375 -0.693 20 0 FBADRM O=C(c1c[nH]c(=O)c(=O)[n-]1)N1CCCC[C@@]12CC(=O)N(CC(F)F)C2 ZINC001273954399 841744678 /nfs/dbraw/zinc/74/46/78/841744678.db2.gz DNPUTFOKDQRDKP-HNNXBMFYSA-N -1 0 356.329 -0.075 20 0 FBADRM O=C(c1c[nH]c(=O)c(=O)[n-]1)N1CCCC[C@]12CC(=O)N(CC(F)F)C2 ZINC001273954400 841744896 /nfs/dbraw/zinc/74/48/96/841744896.db2.gz DNPUTFOKDQRDKP-OAHLLOKOSA-N -1 0 356.329 -0.075 20 0 FBADRM O=C(NCC(F)F)[C@H]1CC12CCN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)CC2 ZINC001273954401 841744635 /nfs/dbraw/zinc/74/46/35/841744635.db2.gz DNQFLJXOCBOROH-MRVPVSSYSA-N -1 0 356.329 -0.313 20 0 FBADRM O=C(NCC(F)F)[C@@H]1CC12CCN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)CC2 ZINC001273954402 841744710 /nfs/dbraw/zinc/74/47/10/841744710.db2.gz DNQFLJXOCBOROH-QMMMGPOBSA-N -1 0 356.329 -0.313 20 0 FBADRM O=C(c1c[nH]c(=O)c(=O)[n-]1)N1CC[C@@H]2[C@H]1CCC(=O)N2CC(F)(F)F ZINC001273954413 841745565 /nfs/dbraw/zinc/74/55/65/841745565.db2.gz DSZPFUNTMGAUDF-RKDXNWHRSA-N -1 0 360.292 -0.169 20 0 FBADRM O=C(c1c[nH]c(=O)c(=O)[n-]1)N1CC[C@@]2(CCN(CC(F)(F)F)C2=O)C1 ZINC001273954441 841744975 /nfs/dbraw/zinc/74/49/75/841744975.db2.gz FKIDDECUQHQZKK-CYBMUJFWSA-N -1 0 360.292 -0.310 20 0 FBADRM O=C(c1c[nH]c(=O)c(=O)[n-]1)N1CC[C@]2(CCN(CC(F)(F)F)C2=O)C1 ZINC001273954443 841744809 /nfs/dbraw/zinc/74/48/09/841744809.db2.gz FKIDDECUQHQZKK-ZDUSSCGKSA-N -1 0 360.292 -0.310 20 0 FBADRM CC(C)CN1C[C@@]2(CCN(C(=O)c3c[nH]c(=O)c(=O)[n-]3)C2)OCC1=O ZINC001273954458 841744983 /nfs/dbraw/zinc/74/49/83/841744983.db2.gz FQRNGAMZWDITAK-INIZCTEOSA-N -1 0 350.375 -0.837 20 0 FBADRM CC(C)CN1C[C@]2(CCN(C(=O)c3c[nH]c(=O)c(=O)[n-]3)C2)OCC1=O ZINC001273954466 841744791 /nfs/dbraw/zinc/74/47/91/841744791.db2.gz FQRNGAMZWDITAK-MRXNPFEDSA-N -1 0 350.375 -0.837 20 0 FBADRM CC(C)CN1C[C@@]2(F)CN(C(=O)c3c[nH]c(=O)c(=O)[n-]3)C[C@@]2(F)C1=O ZINC001273954649 841745665 /nfs/dbraw/zinc/74/56/65/841745665.db2.gz HCIGYVVLRUOEST-HUUCEWRRSA-N -1 0 356.329 -0.566 20 0 FBADRM CCCCN1C[C@@]2(F)CN(C(=O)c3c[nH]c(=O)c(=O)[n-]3)C[C@@]2(F)C1=O ZINC001273954753 841745822 /nfs/dbraw/zinc/74/58/22/841745822.db2.gz HZTCBGQZVCCJRP-HUUCEWRRSA-N -1 0 356.329 -0.422 20 0 FBADRM O=C(c1c[nH]c(=O)c(=O)[n-]1)N1CCC[C@]12CCN(CC(F)(F)F)C2=O ZINC001273955248 841747815 /nfs/dbraw/zinc/74/78/15/841747815.db2.gz MPNSBFHFXMWNFF-CYBMUJFWSA-N -1 0 360.292 -0.167 20 0 FBADRM O=C(c1c[nH]c(=O)c(=O)[n-]1)N1CCC[C@@]12CCN(CC(F)(F)F)C2=O ZINC001273955249 841747920 /nfs/dbraw/zinc/74/79/20/841747920.db2.gz MPNSBFHFXMWNFF-ZDUSSCGKSA-N -1 0 360.292 -0.167 20 0 FBADRM CCOCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1c[nH]c(=O)c(=O)[n-]1 ZINC001273955542 841747847 /nfs/dbraw/zinc/74/78/47/841747847.db2.gz PIPTVVYPMXDADE-VXGBXAGGSA-N -1 0 350.375 -0.695 20 0 FBADRM CCOCCN1CC[C@@]2(CCN(C(=O)c3c[nH]c(=O)c(=O)[n-]3)C2)C1=O ZINC001273955543 841747924 /nfs/dbraw/zinc/74/79/24/841747924.db2.gz PJCLGDOZRMAUQS-INIZCTEOSA-N -1 0 350.375 -0.836 20 0 FBADRM CCOCCN1CC[C@]2(CCN(C(=O)c3c[nH]c(=O)c(=O)[n-]3)C2)C1=O ZINC001273955544 841748112 /nfs/dbraw/zinc/74/81/12/841748112.db2.gz PJCLGDOZRMAUQS-MRXNPFEDSA-N -1 0 350.375 -0.836 20 0 FBADRM O=C(c1c[nH]c(=O)c(=O)[n-]1)N1CCC2(CCN(CC(F)F)C2=O)CC1 ZINC001273955890 841748929 /nfs/dbraw/zinc/74/89/29/841748929.db2.gz SNTJJSMICNETCB-UHFFFAOYSA-N -1 0 356.329 -0.217 20 0 FBADRM CC[C@@H](C)N1C[C@@]2(CCN(C(=O)c3c[nH]c(=O)c(=O)[n-]3)C2)OCC1=O ZINC001273956170 841748986 /nfs/dbraw/zinc/74/89/86/841748986.db2.gz USSUANAUTZVAQD-HWPZZCPQSA-N -1 0 350.375 -0.695 20 0 FBADRM CC[C@H](C)N1C[C@]2(CCN(C(=O)c3c[nH]c(=O)c(=O)[n-]3)C2)OCC1=O ZINC001273956171 841748817 /nfs/dbraw/zinc/74/88/17/841748817.db2.gz USSUANAUTZVAQD-MGPLVRAMSA-N -1 0 350.375 -0.695 20 0 FBADRM CC[C@H](C)N1C[C@@]2(CCN(C(=O)c3c[nH]c(=O)c(=O)[n-]3)C2)OCC1=O ZINC001273956172 841748843 /nfs/dbraw/zinc/74/88/43/841748843.db2.gz USSUANAUTZVAQD-QFYYESIMSA-N -1 0 350.375 -0.695 20 0 FBADRM CC[C@@H](C)N1C[C@]2(CCN(C(=O)c3c[nH]c(=O)c(=O)[n-]3)C2)OCC1=O ZINC001273956173 841749170 /nfs/dbraw/zinc/74/91/70/841749170.db2.gz USSUANAUTZVAQD-QLJPJBMISA-N -1 0 350.375 -0.695 20 0 FBADRM COCCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1c[nH]c(=O)c(=O)[n-]1 ZINC001273956463 841750598 /nfs/dbraw/zinc/75/05/98/841750598.db2.gz XEAMOFGRFYZQSS-VXGBXAGGSA-N -1 0 350.375 -0.695 20 0 FBADRM O=C(c1c[nH]c(=O)c(=O)[n-]1)N1C[C@@]2(F)C(=O)N(CC(F)F)C[C@@]2(F)C1 ZINC001273956521 841750392 /nfs/dbraw/zinc/75/03/92/841750392.db2.gz YWLRUCMZZFPRPJ-CHWSQXEVSA-N -1 0 364.255 -0.957 20 0 FBADRM CC[C@H](C)N1C[C@@]2(F)CN(C(=O)c3c[nH]c(=O)c(=O)[n-]3)C[C@@]2(F)C1=O ZINC001273956596 841750571 /nfs/dbraw/zinc/75/05/71/841750571.db2.gz ZPHPUCYBBLNDGI-UFTIBIJLSA-N -1 0 356.329 -0.424 20 0 FBADRM CC[C@@H](C)N1C[C@@]2(F)CN(C(=O)c3c[nH]c(=O)c(=O)[n-]3)C[C@@]2(F)C1=O ZINC001273956598 841750588 /nfs/dbraw/zinc/75/05/88/841750588.db2.gz ZPHPUCYBBLNDGI-UKXDHYTESA-N -1 0 356.329 -0.424 20 0 FBADRM O=C(c1cc(Cl)ncc1[O-])N1CC2(C1)COCC(=O)N2C1COC1 ZINC001273981634 841777957 /nfs/dbraw/zinc/77/79/57/841777957.db2.gz HBUIOMCHWMXGAU-UHFFFAOYSA-N -1 0 353.762 -0.107 20 0 FBADRM O=C(c1cc(Cl)ncc1[O-])N1CC2(C1)CN(C1COC1)C(=O)CO2 ZINC001273982102 841778881 /nfs/dbraw/zinc/77/88/81/841778881.db2.gz KLRJRWNOSHCWTL-UHFFFAOYSA-N -1 0 353.762 -0.107 20 0 FBADRM CN1C(=O)COCC12CN(C(=O)c1sccc1[N-]S(C)(=O)=O)C2 ZINC001274035814 841791253 /nfs/dbraw/zinc/79/12/53/841791253.db2.gz CTQQRKHLLXXNOI-UHFFFAOYSA-N -1 0 359.429 -0.197 20 0 FBADRM CN1CC2(CN(C(=O)c3sccc3[N-]S(C)(=O)=O)C2)OCC1=O ZINC001274036005 841791809 /nfs/dbraw/zinc/79/18/09/841791809.db2.gz GZDCIEZFZLQXEI-UHFFFAOYSA-N -1 0 359.429 -0.197 20 0 FBADRM O=C(c1ccnc(Cl)c1[O-])N1CC2(C1)CN(C1COC1)C(=O)CO2 ZINC001274092684 841797168 /nfs/dbraw/zinc/79/71/68/841797168.db2.gz FVQASTMIWYIMHZ-UHFFFAOYSA-N -1 0 353.762 -0.107 20 0 FBADRM O=C(c1ccnc(Cl)c1[O-])N1CC2(C1)COCC(=O)N2C1COC1 ZINC001274094759 841798542 /nfs/dbraw/zinc/79/85/42/841798542.db2.gz YNTDTYQZPZUDLJ-UHFFFAOYSA-N -1 0 353.762 -0.107 20 0 FBADRM CSc1ncc([O-])c(C(=O)N2CC3(C2)CN(C2COC2)C(=O)CO3)n1 ZINC001274432394 841846332 /nfs/dbraw/zinc/84/63/32/841846332.db2.gz AONJKGPFMIBVIZ-UHFFFAOYSA-N -1 0 366.399 -0.644 20 0 FBADRM CSc1ncc([O-])c(C(=O)N2CC3(C2)COCC(=O)N3C2COC2)n1 ZINC001274433841 841846406 /nfs/dbraw/zinc/84/64/06/841846406.db2.gz ZGBXNHSBJUQBNG-UHFFFAOYSA-N -1 0 366.399 -0.644 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1ccc2c(n1)CCN(C(=O)C(F)(F)Cl)C2 ZINC001274520614 841854927 /nfs/dbraw/zinc/85/49/27/841854927.db2.gz LCXIADPUBRDEDB-UHFFFAOYSA-N -1 0 371.735 -0.004 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1noc2c1CN(C(=O)C(F)(F)Cl)CC2 ZINC001274520802 841855901 /nfs/dbraw/zinc/85/59/01/841855901.db2.gz MYSPDMWDFNFFMJ-UHFFFAOYSA-N -1 0 361.696 -0.411 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)C(F)(F)Cl)CC2 ZINC001274521185 841855002 /nfs/dbraw/zinc/85/50/02/841855002.db2.gz ONMKKNMCCHTJRF-UHFFFAOYSA-N -1 0 360.712 -0.676 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CCN(C(=O)C(F)(F)Cl)C2 ZINC001274521901 841855012 /nfs/dbraw/zinc/85/50/12/841855012.db2.gz VIZXRVLDQUKFPM-UHFFFAOYSA-N -1 0 360.712 -0.676 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1cc2c([nH]1)CN(C(=O)C(F)(F)Cl)CC2 ZINC001274522196 841855630 /nfs/dbraw/zinc/85/56/30/841855630.db2.gz YWRHLXGRKCJTPG-UHFFFAOYSA-N -1 0 359.724 -0.071 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1nnc2n1CCN(C(=O)C(C)(Cl)Cl)C2 ZINC001274737289 841873533 /nfs/dbraw/zinc/87/35/33/841873533.db2.gz NLNGLEXFVBMUFK-UHFFFAOYSA-N -1 0 374.192 -0.988 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)C(C)(Cl)Cl)CC2 ZINC001274737509 841873707 /nfs/dbraw/zinc/87/37/07/841873707.db2.gz PJEURMTVRDIAND-UHFFFAOYSA-N -1 0 373.204 -0.314 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1noc2c1CN(C(=O)C(C)(Cl)Cl)CC2 ZINC001274737524 841873688 /nfs/dbraw/zinc/87/36/88/841873688.db2.gz PNBUJVZPPXDGBT-UHFFFAOYSA-N -1 0 374.188 -0.049 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)C(C)(Cl)Cl)C2 ZINC001274737756 841873867 /nfs/dbraw/zinc/87/38/67/841873867.db2.gz QNSLSXTZHZECQF-UHFFFAOYSA-N -1 0 359.177 -0.357 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CCN(C(=O)C(C)(Cl)Cl)C2 ZINC001274738561 841874189 /nfs/dbraw/zinc/87/41/89/841874189.db2.gz ZRMBAPROUXVZTJ-UHFFFAOYSA-N -1 0 373.204 -0.314 20 0 FBADRM COC(C)(C)CN1C(=O)COCC12CN(C(=O)c1ccnc(=O)[nH]1)C2 ZINC001274842408 841885387 /nfs/dbraw/zinc/88/53/87/841885387.db2.gz WUGABPXBNHOKRL-UHFFFAOYSA-N -1 0 350.375 -0.339 20 0 FBADRM COC(C)(C)CN1CC2(CN(C(=O)c3ccnc(=O)[nH]3)C2)OCC1=O ZINC001274842625 841885640 /nfs/dbraw/zinc/88/56/40/841885640.db2.gz XLPQPKFZQNXFBF-UHFFFAOYSA-N -1 0 350.375 -0.339 20 0 FBADRM CN1C(=O)COCC12CN(C(=O)c1ccc(-n3nn[n-]c3=S)cc1)C2 ZINC001274844379 841885409 /nfs/dbraw/zinc/88/54/09/841885409.db2.gz KULVJPZGKVASNT-UHFFFAOYSA-N -1 0 360.399 -0.366 20 0 FBADRM CN1CC2(CN(C(=O)c3ccc(-n4nn[n-]c4=S)cc3)C2)OCC1=O ZINC001274844685 841885077 /nfs/dbraw/zinc/88/50/77/841885077.db2.gz VFKFESQSKCXMAF-UHFFFAOYSA-N -1 0 360.399 -0.366 20 0 FBADRM COC(=O)NCC(=O)N1CCc2onc(C(=O)[N-]c3nnco3)c2C1 ZINC001274873185 841886645 /nfs/dbraw/zinc/88/66/45/841886645.db2.gz CACWKJBPQAVISJ-UHFFFAOYSA-N -1 0 350.291 -0.449 20 0 FBADRM Cn1ccnc1NC(=O)[C@@]12C[C@@H]1CN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001274881426 841889061 /nfs/dbraw/zinc/88/90/61/841889061.db2.gz JQZCTLGDLJKZNK-AMIZOPFISA-N -1 0 359.308 -0.114 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1CC2(C1)CC[C@H](C(=O)NCC(F)F)O2 ZINC001274881583 841889500 /nfs/dbraw/zinc/88/95/00/841889500.db2.gz LIGMRBUYXKXIPH-SSDOTTSWSA-N -1 0 373.278 -0.194 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1CC2(C1)CC[C@@H](C(=O)NCC(F)F)O2 ZINC001274881585 841889176 /nfs/dbraw/zinc/88/91/76/841889176.db2.gz LIGMRBUYXKXIPH-ZETCQYMHSA-N -1 0 373.278 -0.194 20 0 FBADRM CC(C)(C)NC(=O)C1=NO[C@@H]2CN(C(=O)C[N-]C(=O)C(F)(F)F)C[C@H]12 ZINC001274881621 841889128 /nfs/dbraw/zinc/88/91/28/841889128.db2.gz MPGFPVCZNKIAAY-JGVFFNPUSA-N -1 0 364.324 -0.207 20 0 FBADRM Cn1ccnc1NC(=O)[C@H]1CC12CN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001274882118 841889078 /nfs/dbraw/zinc/88/90/78/841889078.db2.gz RQHXDHRCGFWOLO-MRVPVSSYSA-N -1 0 359.308 -0.114 20 0 FBADRM Cn1ccnc1NC(=O)[C@@H]1CC12CN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001274882120 841889025 /nfs/dbraw/zinc/88/90/25/841889025.db2.gz RQHXDHRCGFWOLO-QMMMGPOBSA-N -1 0 359.308 -0.114 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@H]2C(C(=O)NCC(F)F)=NO[C@@H]2C1 ZINC001274882859 841889655 /nfs/dbraw/zinc/88/96/55/841889655.db2.gz ZVYXNCKYCHLBQQ-NTSWFWBYSA-N -1 0 372.250 -0.741 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1CC2(C1)CC[C@@H](C(=O)N1CC=CC1)O2 ZINC001274887900 841888015 /nfs/dbraw/zinc/88/80/15/841888015.db2.gz AKLGXSLMYOAWOL-JTQLQIEISA-N -1 0 361.320 -0.177 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1CC2(C1)CC[C@H](C(=O)N1CC=CC1)O2 ZINC001274887901 841888359 /nfs/dbraw/zinc/88/83/59/841888359.db2.gz AKLGXSLMYOAWOL-SNVBAGLBSA-N -1 0 361.320 -0.177 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)NC12CC(C(=O)NCc3c[nH]cn3)(C1)C2 ZINC001274887902 841888337 /nfs/dbraw/zinc/88/83/37/841888337.db2.gz ALELMWARNIQLFC-UHFFFAOYSA-N -1 0 359.308 -0.257 20 0 FBADRM CN(C)C(=O)[C@@H]1CCN(C(=O)C[N-]C(=O)C(F)(F)F)Cc2ccnn21 ZINC001274887913 841888247 /nfs/dbraw/zinc/88/82/47/841888247.db2.gz AXYDPZOUEVFXLY-JTQLQIEISA-N -1 0 361.324 -0.077 20 0 FBADRM CN(C)C(=O)[C@H]1CCN(C(=O)C[N-]C(=O)C(F)(F)F)Cc2ccnn21 ZINC001274887914 841888186 /nfs/dbraw/zinc/88/81/86/841888186.db2.gz AXYDPZOUEVFXLY-SNVBAGLBSA-N -1 0 361.324 -0.077 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@H]2C(C(=O)N3CC=CC3)=NO[C@@H]2C1 ZINC001274887986 841888650 /nfs/dbraw/zinc/88/86/50/841888650.db2.gz CKBFCRPVVWJGFW-DTWKUNHWSA-N -1 0 360.292 -0.724 20 0 FBADRM COCCN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)C[N-]C(=O)C(F)(F)F ZINC001274887995 841888169 /nfs/dbraw/zinc/88/81/69/841888169.db2.gz CNDXCZSVTALWSG-RNCFNFMXSA-N -1 0 351.325 -0.239 20 0 FBADRM COCCN(C)C(=O)[C@@]12C[C@@H]1CCN2C(=O)C[N-]C(=O)C(F)(F)F ZINC001274887997 841888682 /nfs/dbraw/zinc/88/86/82/841888682.db2.gz CNDXCZSVTALWSG-TVQRCGJNSA-N -1 0 351.325 -0.239 20 0 FBADRM COCCN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001274888108 841888708 /nfs/dbraw/zinc/88/87/08/841888708.db2.gz DPRQBJZJLBSZFA-NOZJJQNGSA-N -1 0 351.325 -0.382 20 0 FBADRM COCCN(C)C(=O)C12CC(NC(=O)C[N-]C(=O)C(F)(F)F)(C1)C2 ZINC001274888300 841888525 /nfs/dbraw/zinc/88/85/25/841888525.db2.gz HOABQEJWCSROGN-UHFFFAOYSA-N -1 0 351.325 -0.191 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1Cc2n[nH]c(C(=O)NCC(F)F)c2C1 ZINC001274888574 841888553 /nfs/dbraw/zinc/88/85/53/841888553.db2.gz KGAOBELDKPVCCL-UHFFFAOYSA-N -1 0 369.250 -0.075 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1Cc2[nH]nc(C(=O)N3CC=CC3)c2C1 ZINC001274888885 841888112 /nfs/dbraw/zinc/88/81/12/841888112.db2.gz LTERULGSHIATJX-UHFFFAOYSA-N -1 0 357.292 -0.058 20 0 FBADRM CN(C)C(=O)C[C@H]1C[C@@H]2CN(C(=O)C[N-]C(=O)C(F)(F)F)C[C@@H]2O1 ZINC001274888901 841888204 /nfs/dbraw/zinc/88/82/04/841888204.db2.gz MAOGYLSPVBHTDO-BBBLOLIVSA-N -1 0 351.325 -0.241 20 0 FBADRM CN(C)C(=O)C[C@@H]1C[C@@H]2CN(C(=O)C[N-]C(=O)C(F)(F)F)C[C@@H]2O1 ZINC001274888902 841888606 /nfs/dbraw/zinc/88/86/06/841888606.db2.gz MAOGYLSPVBHTDO-UTLUCORTSA-N -1 0 351.325 -0.241 20 0 FBADRM COCCN(C)C(=O)[C@H]1CC12CN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001274889283 841888729 /nfs/dbraw/zinc/88/87/29/841888729.db2.gz PFWKXEWJVMDNMB-SECBINFHSA-N -1 0 351.325 -0.382 20 0 FBADRM COCCN(C)C(=O)[C@@H]1CC12CN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001274889285 841887960 /nfs/dbraw/zinc/88/79/60/841887960.db2.gz PFWKXEWJVMDNMB-VIFPVBQESA-N -1 0 351.325 -0.382 20 0 FBADRM CN(C)C(=O)[C@H]1COCCC12CN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001274889286 841888226 /nfs/dbraw/zinc/88/82/26/841888226.db2.gz PGNMYDKSNIYZET-SECBINFHSA-N -1 0 351.325 -0.382 20 0 FBADRM CN(C)C(=O)[C@@H]1COCCC12CN(C(=O)C[N-]C(=O)C(F)(F)F)C2 ZINC001274889288 841888443 /nfs/dbraw/zinc/88/84/43/841888443.db2.gz PGNMYDKSNIYZET-VIFPVBQESA-N -1 0 351.325 -0.382 20 0 FBADRM CN(C)C(=O)[C@@H]1CCn2nccc2CN1C(=O)C[N-]C(=O)C(F)(F)F ZINC001274889378 841888283 /nfs/dbraw/zinc/88/82/83/841888283.db2.gz RZRKZDAXOJKQDG-JTQLQIEISA-N -1 0 361.324 -0.249 20 0 FBADRM CN(C)C(=O)[C@H]1CCn2nccc2CN1C(=O)C[N-]C(=O)C(F)(F)F ZINC001274889379 841889224 /nfs/dbraw/zinc/88/92/24/841889224.db2.gz RZRKZDAXOJKQDG-SNVBAGLBSA-N -1 0 361.324 -0.249 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1CC2(C[C@@H]2C(=O)NCc2c[nH]cn2)C1 ZINC001274889708 841889674 /nfs/dbraw/zinc/88/96/74/841889674.db2.gz WLNPAOUXKOWPSZ-SECBINFHSA-N -1 0 359.308 -0.447 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1CC2(C[C@H]2C(=O)NCc2c[nH]cn2)C1 ZINC001274889710 841888975 /nfs/dbraw/zinc/88/89/75/841888975.db2.gz WLNPAOUXKOWPSZ-VIFPVBQESA-N -1 0 359.308 -0.447 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1C[C@H]2C[C@@]2(C(=O)NCc2c[nH]cn2)C1 ZINC001274889749 841888998 /nfs/dbraw/zinc/88/89/98/841888998.db2.gz XHRGVKPBEJRSFJ-AMIZOPFISA-N -1 0 359.308 -0.447 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1CC[C@H]2C[C@]21C(=O)NCc1c[nH]cn1 ZINC001274889807 841888914 /nfs/dbraw/zinc/88/89/14/841888914.db2.gz YQGLABOKVPKBOQ-ISVAXAHUSA-N -1 0 359.308 -0.305 20 0 FBADRM O=C(C[N-]C(=O)C(F)(F)F)N1CC[C@@H]2C[C@@]21C(=O)NCc1c[nH]cn1 ZINC001274889808 841889761 /nfs/dbraw/zinc/88/97/61/841889761.db2.gz YQGLABOKVPKBOQ-OQPBUACISA-N -1 0 359.308 -0.305 20 0 FBADRM CN1C(=O)COCC12CN(C(=O)c1ccccc1[N-]S(C)(=O)=O)C2 ZINC001274898384 841890416 /nfs/dbraw/zinc/89/04/16/841890416.db2.gz NUBBWIWTZMFIRP-UHFFFAOYSA-N -1 0 353.400 -0.259 20 0 FBADRM CN1CC2(CN(C(=O)c3ccccc3[N-]S(C)(=O)=O)C2)OCC1=O ZINC001274899158 841890885 /nfs/dbraw/zinc/89/08/85/841890885.db2.gz SHGZSYRWXUTDML-UHFFFAOYSA-N -1 0 353.400 -0.259 20 0 FBADRM COC(CN1C[C@@]2(CCN(C(=O)c3cc(=O)[nH][n-]3)C2)OCC1=O)OC ZINC001274914972 841892518 /nfs/dbraw/zinc/89/25/18/841892518.db2.gz BBVAOKUDVWRDJO-HNNXBMFYSA-N -1 0 354.363 -0.822 20 0 FBADRM COC(CN1C[C@]2(CCN(C(=O)c3cc(=O)[nH][n-]3)C2)OCC1=O)OC ZINC001274914973 841892889 /nfs/dbraw/zinc/89/28/89/841892889.db2.gz BBVAOKUDVWRDJO-OAHLLOKOSA-N -1 0 354.363 -0.822 20 0 FBADRM CC(C)OC(=O)CN1C(=O)COCC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001274915006 841892144 /nfs/dbraw/zinc/89/21/44/841892144.db2.gz BZBMAWMUVYTHSG-UHFFFAOYSA-N -1 0 352.347 -0.880 20 0 FBADRM CCOC(=O)[C@@H](C)N1CC2(CN(C(=O)c3cc(=O)[nH][n-]3)C2)OCC1=O ZINC001274915056 841892761 /nfs/dbraw/zinc/89/27/61/841892761.db2.gz DINOXUGQAKDBOX-SECBINFHSA-N -1 0 352.347 -0.880 20 0 FBADRM CCOC(=O)[C@H](C)N1CC2(CN(C(=O)c3cc(=O)[nH][n-]3)C2)OCC1=O ZINC001274915057 841891931 /nfs/dbraw/zinc/89/19/31/841891931.db2.gz DINOXUGQAKDBOX-VIFPVBQESA-N -1 0 352.347 -0.880 20 0 FBADRM CC(C)(C)C(=O)CN1CC2(CN(C(=O)c3cc(=O)[nH][n-]3)C2)OCC1=O ZINC001274915062 841892232 /nfs/dbraw/zinc/89/22/32/841892232.db2.gz DKRHRPLHWOAEKQ-UHFFFAOYSA-N -1 0 350.375 -0.216 20 0 FBADRM CCOC(=O)[C@@H](C)N1C(=O)COCC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001274915079 841893573 /nfs/dbraw/zinc/89/35/73/841893573.db2.gz DXHWSAMCGVROSK-SECBINFHSA-N -1 0 352.347 -0.880 20 0 FBADRM CCOC(=O)[C@H](C)N1C(=O)COCC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001274915080 841894167 /nfs/dbraw/zinc/89/41/67/841894167.db2.gz DXHWSAMCGVROSK-VIFPVBQESA-N -1 0 352.347 -0.880 20 0 FBADRM COCCOCN1C[C@@]2(F)CN(C(=O)c3cc(=O)[nH][n-]3)C[C@@]2(F)C1=O ZINC001274915122 841893494 /nfs/dbraw/zinc/89/34/94/841893494.db2.gz GCOWKXZEMHYBMJ-UONOGXRCSA-N -1 0 360.317 -0.550 20 0 FBADRM COC(=O)[C@@H](C)CN1CC[C@]2(CCN(C(=O)c3cc(=O)[nH][n-]3)C2)C1=O ZINC001274915248 841893894 /nfs/dbraw/zinc/89/38/94/841893894.db2.gz HISYJXNRPMGNCE-MGPLVRAMSA-N -1 0 350.375 -0.011 20 0 FBADRM COC(=O)[C@@H](C)CN1CC[C@@]2(CCN(C(=O)c3cc(=O)[nH][n-]3)C2)C1=O ZINC001274915250 841893306 /nfs/dbraw/zinc/89/33/06/841893306.db2.gz HISYJXNRPMGNCE-QFYYESIMSA-N -1 0 350.375 -0.011 20 0 FBADRM CC(C)OC(=O)CN1CC2(CN(C(=O)c3cc(=O)[nH][n-]3)C2)OCC1=O ZINC001274915283 841893755 /nfs/dbraw/zinc/89/37/55/841893755.db2.gz INNMSZNLGBUHNU-UHFFFAOYSA-N -1 0 352.347 -0.880 20 0 FBADRM CC[C@H](C(N)=O)N1C[C@@]2(F)CN(C(=O)c3cc(=O)[nH][n-]3)C[C@@]2(F)C1=O ZINC001274915445 841893482 /nfs/dbraw/zinc/89/34/82/841893482.db2.gz KMHLZRQFLFRYDC-NFMODRRSSA-N -1 0 357.317 -0.906 20 0 FBADRM CC[C@@H](C(N)=O)N1C[C@@]2(F)CN(C(=O)c3cc(=O)[nH][n-]3)C[C@@]2(F)C1=O ZINC001274915447 841893901 /nfs/dbraw/zinc/89/39/01/841893901.db2.gz KMHLZRQFLFRYDC-ULCPSODYSA-N -1 0 357.317 -0.906 20 0 FBADRM C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001274915889 841890740 /nfs/dbraw/zinc/89/07/40/841890740.db2.gz QGNWQNRWZWQAJM-INIZCTEOSA-N -1 0 351.407 -0.632 20 0 FBADRM C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001274915890 841890156 /nfs/dbraw/zinc/89/01/56/841890156.db2.gz QGNWQNRWZWQAJM-MRXNPFEDSA-N -1 0 351.407 -0.632 20 0 FBADRM COCCOCN1C[C@@]2(CCN(C(=O)c3cc(=O)[nH][n-]3)C2)OCC1=O ZINC001274915900 841891743 /nfs/dbraw/zinc/89/17/43/841891743.db2.gz QOUWNOKPQFDCEO-HNNXBMFYSA-N -1 0 354.363 -0.821 20 0 FBADRM COCCOCN1C[C@]2(CCN(C(=O)c3cc(=O)[nH][n-]3)C2)OCC1=O ZINC001274915901 841891369 /nfs/dbraw/zinc/89/13/69/841891369.db2.gz QOUWNOKPQFDCEO-OAHLLOKOSA-N -1 0 354.363 -0.821 20 0 FBADRM CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)COCCN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001274916058 841890404 /nfs/dbraw/zinc/89/04/04/841890404.db2.gz SHSUPAILQRFTQI-HWPZZCPQSA-N -1 0 350.375 -0.216 20 0 FBADRM CC(=O)[C@H](C)N1C[C@]2(CC1=O)COCCN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001274916059 841891351 /nfs/dbraw/zinc/89/13/51/841891351.db2.gz SHSUPAILQRFTQI-MGPLVRAMSA-N -1 0 350.375 -0.216 20 0 FBADRM CC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCCN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001274916060 841891070 /nfs/dbraw/zinc/89/10/70/841891070.db2.gz SHSUPAILQRFTQI-QFYYESIMSA-N -1 0 350.375 -0.216 20 0 FBADRM CC(=O)[C@@H](C)N1C[C@]2(CC1=O)COCCN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001274916061 841890362 /nfs/dbraw/zinc/89/03/62/841890362.db2.gz SHSUPAILQRFTQI-QLJPJBMISA-N -1 0 350.375 -0.216 20 0 FBADRM CC(C)(C)C(=O)CN1C(=O)COCC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001274916143 841891758 /nfs/dbraw/zinc/89/17/58/841891758.db2.gz UIZZVAGGVYYFKD-UHFFFAOYSA-N -1 0 350.375 -0.216 20 0 FBADRM CCOCCN1C[C@]2(CC1=O)COCCN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001274916503 841893839 /nfs/dbraw/zinc/89/38/39/841893839.db2.gz WXVITLJIHSJWRB-INIZCTEOSA-N -1 0 352.391 -0.157 20 0 FBADRM CCOCCN1C[C@@]2(CC1=O)COCCN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001274916504 841893321 /nfs/dbraw/zinc/89/33/21/841893321.db2.gz WXVITLJIHSJWRB-MRXNPFEDSA-N -1 0 352.391 -0.157 20 0 FBADRM COC(CN1C[C@@]2(F)CN(C(=O)c3cc(=O)[nH][n-]3)C[C@@]2(F)C1=O)OC ZINC001274916509 841893530 /nfs/dbraw/zinc/89/35/30/841893530.db2.gz XCXLCTUBHUUBBQ-ZIAGYGMSSA-N -1 0 360.317 -0.551 20 0 FBADRM COCCCN1C[C@]2(CC1=O)COCCN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001274921155 841893644 /nfs/dbraw/zinc/89/36/44/841893644.db2.gz BTDYMOUXAPAYLV-INIZCTEOSA-N -1 0 352.391 -0.157 20 0 FBADRM COCCCN1C[C@@]2(CC1=O)COCCN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001274921156 841894091 /nfs/dbraw/zinc/89/40/91/841894091.db2.gz BTDYMOUXAPAYLV-MRXNPFEDSA-N -1 0 352.391 -0.157 20 0 FBADRM COC(C)(C)CN1C[C@@]2(CCN(C(=O)c3cc(=O)[nH][n-]3)C2)OCC1=O ZINC001274921247 841893669 /nfs/dbraw/zinc/89/36/69/841893669.db2.gz DZFUMSPALQQMMD-INIZCTEOSA-N -1 0 352.391 -0.016 20 0 FBADRM COC(C)(C)CN1C[C@]2(CCN(C(=O)c3cc(=O)[nH][n-]3)C2)OCC1=O ZINC001274921248 841893695 /nfs/dbraw/zinc/89/36/95/841893695.db2.gz DZFUMSPALQQMMD-MRXNPFEDSA-N -1 0 352.391 -0.016 20 0 FBADRM CCS(=O)(=O)CCN1CC[C@@]2(CCN(C(=O)c3cc(=O)[nH][n-]3)C2)C1=O ZINC001274921331 841894212 /nfs/dbraw/zinc/89/42/12/841894212.db2.gz HQXGSSDGNYZHHR-HNNXBMFYSA-N -1 0 370.431 -0.385 20 0 FBADRM CCS(=O)(=O)CCN1CC[C@]2(CCN(C(=O)c3cc(=O)[nH][n-]3)C2)C1=O ZINC001274921332 841894155 /nfs/dbraw/zinc/89/41/55/841894155.db2.gz HQXGSSDGNYZHHR-OAHLLOKOSA-N -1 0 370.431 -0.385 20 0 FBADRM O=C(c1cc(=O)[nH][n-]1)N1CC2(C1)COCC(=O)N2CC1CCOCC1 ZINC001274921405 841893957 /nfs/dbraw/zinc/89/39/57/841893957.db2.gz JHUDRNRPBJIDOR-UHFFFAOYSA-N -1 0 350.375 -0.405 20 0 FBADRM O=C(c1cc(=O)[nH][n-]1)N1CC2(C1)CN(CC1CCOCC1)C(=O)CO2 ZINC001274921521 841893945 /nfs/dbraw/zinc/89/39/45/841893945.db2.gz MVRXSLNGXADRDR-UHFFFAOYSA-N -1 0 350.375 -0.405 20 0 FBADRM CCS(=O)(=O)CCN1CC[C@@]2(CCCN2C(=O)c2cc(=O)[nH][n-]2)C1=O ZINC001274921522 841894246 /nfs/dbraw/zinc/89/42/46/841894246.db2.gz MWMUQSODENDFIR-HNNXBMFYSA-N -1 0 370.431 -0.243 20 0 FBADRM CCS(=O)(=O)CCN1CC[C@]2(CCCN2C(=O)c2cc(=O)[nH][n-]2)C1=O ZINC001274921523 841893588 /nfs/dbraw/zinc/89/35/88/841893588.db2.gz MWMUQSODENDFIR-OAHLLOKOSA-N -1 0 370.431 -0.243 20 0 FBADRM CCOC(=O)[C@@H]1CN(C)C(=O)C12CCN(C(=O)c1cc(=O)[nH][n-]1)CC2 ZINC001274921709 841893657 /nfs/dbraw/zinc/89/36/57/841893657.db2.gz SIBBXQSTGDZUKZ-JTQLQIEISA-N -1 0 350.375 -0.011 20 0 FBADRM CCOC(=O)[C@H]1CN(C)C(=O)C12CCN(C(=O)c1cc(=O)[nH][n-]1)CC2 ZINC001274921710 841893745 /nfs/dbraw/zinc/89/37/45/841893745.db2.gz SIBBXQSTGDZUKZ-SNVBAGLBSA-N -1 0 350.375 -0.011 20 0 FBADRM CCS(=O)(=O)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc(=O)[nH][n-]1 ZINC001274921899 841893708 /nfs/dbraw/zinc/89/37/08/841893708.db2.gz YMWKLEMCQZITKG-VXGBXAGGSA-N -1 0 370.431 -0.245 20 0 FBADRM COCCCN1C[C@@]2(F)CN(C(=O)c3cc(=O)n(C)[n-]3)C[C@@]2(F)C1=O ZINC001274988882 841901091 /nfs/dbraw/zinc/90/10/91/841901091.db2.gz AYUNTEYCHQLPCS-HUUCEWRRSA-N -1 0 358.345 -0.123 20 0 FBADRM COC(CN1CC[C@@]2(CCN(C(=O)c3cc(=O)n(C)[n-]3)C2)C1=O)OC ZINC001274988886 841900962 /nfs/dbraw/zinc/90/09/62/841900962.db2.gz BBLCTTGUWDKZEX-INIZCTEOSA-N -1 0 352.391 -0.191 20 0 FBADRM COC(CN1CC[C@]2(CCN(C(=O)c3cc(=O)n(C)[n-]3)C2)C1=O)OC ZINC001274988887 841901166 /nfs/dbraw/zinc/90/11/66/841901166.db2.gz BBLCTTGUWDKZEX-MRXNPFEDSA-N -1 0 352.391 -0.191 20 0 FBADRM CCOCCN1C[C@@]2(F)CN(C(=O)c3cc(=O)n(C)[n-]3)C[C@@]2(F)C1=O ZINC001274988990 841901010 /nfs/dbraw/zinc/90/10/10/841901010.db2.gz DXSFZHPTYGBVLD-HUUCEWRRSA-N -1 0 358.345 -0.123 20 0 FBADRM Cn1[n-]c(C(=O)N2C[C@@]3(F)C(=O)N(CC[NH+](C)C)C[C@@]3(F)C2)cc1=O ZINC001274989034 841900815 /nfs/dbraw/zinc/90/08/15/841900815.db2.gz GHPRAQDLOZVYFL-HUUCEWRRSA-N -1 0 357.361 -0.598 20 0 FBADRM COC(C)(C)CN1C(=O)COCC12CN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001274989106 841902790 /nfs/dbraw/zinc/90/27/90/841902790.db2.gz GXJDXMJSCXLJML-UHFFFAOYSA-N -1 0 352.391 -0.396 20 0 FBADRM COC(C)(C)CN1CC2(CN(C(=O)c3cc(=O)n(C)[n-]3)C2)OCC1=O ZINC001274989120 841902961 /nfs/dbraw/zinc/90/29/61/841902961.db2.gz HDFYIIOFAMICFZ-UHFFFAOYSA-N -1 0 352.391 -0.396 20 0 FBADRM CC(=O)[C@H](C)N1C[C@@]2(F)CN(C(=O)c3cc(=O)n(C)[n-]3)C[C@@]2(F)C1=O ZINC001274989154 841902952 /nfs/dbraw/zinc/90/29/52/841902952.db2.gz IAKLMMLJRMUYHB-UFTIBIJLSA-N -1 0 356.329 -0.182 20 0 FBADRM CC(=O)[C@@H](C)N1C[C@@]2(F)CN(C(=O)c3cc(=O)n(C)[n-]3)C[C@@]2(F)C1=O ZINC001274989156 841902870 /nfs/dbraw/zinc/90/28/70/841902870.db2.gz IAKLMMLJRMUYHB-UKXDHYTESA-N -1 0 356.329 -0.182 20 0 FBADRM CCOCCN1C[C@]2(CCN(C(=O)c3cc(=O)n(C)[n-]3)C2)OCC1=O ZINC001274989218 841903007 /nfs/dbraw/zinc/90/30/07/841903007.db2.gz IVEPSMSECFAWMU-INIZCTEOSA-N -1 0 352.391 -0.394 20 0 FBADRM CCOCCN1C[C@@]2(CCN(C(=O)c3cc(=O)n(C)[n-]3)C2)OCC1=O ZINC001274989219 841902985 /nfs/dbraw/zinc/90/29/85/841902985.db2.gz IVEPSMSECFAWMU-MRXNPFEDSA-N -1 0 352.391 -0.394 20 0 FBADRM CC(=O)[C@@H](C)N1C[C@@]2(CCN(C(=O)c3cc(=O)n(C)[n-]3)C2)OCC1=O ZINC001274989236 841903192 /nfs/dbraw/zinc/90/31/92/841903192.db2.gz JDTNGPUQQAIMKW-HWPZZCPQSA-N -1 0 350.375 -0.453 20 0 FBADRM CC(=O)[C@H](C)N1C[C@]2(CCN(C(=O)c3cc(=O)n(C)[n-]3)C2)OCC1=O ZINC001274989237 841902881 /nfs/dbraw/zinc/90/28/81/841902881.db2.gz JDTNGPUQQAIMKW-MGPLVRAMSA-N -1 0 350.375 -0.453 20 0 FBADRM CC(=O)[C@H](C)N1C[C@@]2(CCN(C(=O)c3cc(=O)n(C)[n-]3)C2)OCC1=O ZINC001274989238 841902673 /nfs/dbraw/zinc/90/26/73/841902673.db2.gz JDTNGPUQQAIMKW-QFYYESIMSA-N -1 0 350.375 -0.453 20 0 FBADRM CC(=O)[C@@H](C)N1C[C@]2(CCN(C(=O)c3cc(=O)n(C)[n-]3)C2)OCC1=O ZINC001274989239 841903227 /nfs/dbraw/zinc/90/32/27/841903227.db2.gz JDTNGPUQQAIMKW-QLJPJBMISA-N -1 0 350.375 -0.453 20 0 FBADRM Cn1[n-]c(C(=O)N2CCOC[C@@]3(CC(=O)N(C4COC4)C3)C2)cc1=O ZINC001274989348 841902932 /nfs/dbraw/zinc/90/29/32/841902932.db2.gz JLCPSZXGJSRYPW-INIZCTEOSA-N -1 0 350.375 -0.784 20 0 FBADRM Cn1[n-]c(C(=O)N2CCOC[C@]3(CC(=O)N(C4COC4)C3)C2)cc1=O ZINC001274989354 841902940 /nfs/dbraw/zinc/90/29/40/841902940.db2.gz JLCPSZXGJSRYPW-MRXNPFEDSA-N -1 0 350.375 -0.784 20 0 FBADRM COCCCN1C[C@]2(CCN(C(=O)c3cc(=O)n(C)[n-]3)C2)OCC1=O ZINC001274989837 841902820 /nfs/dbraw/zinc/90/28/20/841902820.db2.gz OSMDUMXKZDNWHV-INIZCTEOSA-N -1 0 352.391 -0.394 20 0 FBADRM COCCCN1C[C@@]2(CCN(C(=O)c3cc(=O)n(C)[n-]3)C2)OCC1=O ZINC001274989838 841903200 /nfs/dbraw/zinc/90/32/00/841903200.db2.gz OSMDUMXKZDNWHV-MRXNPFEDSA-N -1 0 352.391 -0.394 20 0 FBADRM COC(CN1CC[C@@]2(CCCN2C(=O)c2cc(=O)n(C)[n-]2)C1=O)OC ZINC001274990273 841902911 /nfs/dbraw/zinc/90/29/11/841902911.db2.gz RQHKEEMWVLPMOH-INIZCTEOSA-N -1 0 352.391 -0.048 20 0 FBADRM COC(CN1CC[C@]2(CCCN2C(=O)c2cc(=O)n(C)[n-]2)C1=O)OC ZINC001274990274 841903034 /nfs/dbraw/zinc/90/30/34/841903034.db2.gz RQHKEEMWVLPMOH-MRXNPFEDSA-N -1 0 352.391 -0.048 20 0 FBADRM COCCOCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc(=O)n(C)[n-]1 ZINC001274990400 841902859 /nfs/dbraw/zinc/90/28/59/841902859.db2.gz UIFKKPFDIPHVAQ-CHWSQXEVSA-N -1 0 352.391 -0.048 20 0 FBADRM COC(CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc(=O)n(C)[n-]1)OC ZINC001274990430 841902764 /nfs/dbraw/zinc/90/27/64/841902764.db2.gz UYAPPMDSVISPLK-VXGBXAGGSA-N -1 0 352.391 -0.050 20 0 FBADRM COCCOCN1CC[C@@]2(CCCN2C(=O)c2cc(=O)n(C)[n-]2)C1=O ZINC001274990734 841902708 /nfs/dbraw/zinc/90/27/08/841902708.db2.gz YAYSMQFLNYUIGX-INIZCTEOSA-N -1 0 352.391 -0.047 20 0 FBADRM COCCOCN1CC[C@]2(CCCN2C(=O)c2cc(=O)n(C)[n-]2)C1=O ZINC001274990735 841902836 /nfs/dbraw/zinc/90/28/36/841902836.db2.gz YAYSMQFLNYUIGX-MRXNPFEDSA-N -1 0 352.391 -0.047 20 0 FBADRM COCCOCN1CC[C@]2(CCN(C(=O)c3cc(=O)n(C)[n-]3)C2)C1=O ZINC001274990741 841902732 /nfs/dbraw/zinc/90/27/32/841902732.db2.gz YFQGUUSQIDNERC-INIZCTEOSA-N -1 0 352.391 -0.189 20 0 FBADRM COCCOCN1CC[C@@]2(CCN(C(=O)c3cc(=O)n(C)[n-]3)C2)C1=O ZINC001274990742 841902749 /nfs/dbraw/zinc/90/27/49/841902749.db2.gz YFQGUUSQIDNERC-MRXNPFEDSA-N -1 0 352.391 -0.189 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)[C@@]1(C)CC1(F)F)C2 ZINC001275004711 841902891 /nfs/dbraw/zinc/90/28/91/841902891.db2.gz BQOJNMCWLPAWIQ-GFCCVEGCSA-N -1 0 352.305 -0.505 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)[C@]1(C)CC1(F)F)C2 ZINC001275004713 841902629 /nfs/dbraw/zinc/90/26/29/841902629.db2.gz BQOJNMCWLPAWIQ-LBPRGKRZSA-N -1 0 352.305 -0.505 20 0 FBADRM O=C(c1cc(O)cnc1Cl)N1CC2(C1)COCC(=O)N2C1COC1 ZINC001275032733 841904788 /nfs/dbraw/zinc/90/47/88/841904788.db2.gz ARIBZASXMWFVEH-UHFFFAOYSA-N -1 0 353.762 -0.107 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1ccc2c(n1)CCN(C(=O)CC(F)F)C2 ZINC001275247778 841928803 /nfs/dbraw/zinc/92/88/03/841928803.db2.gz GQMDHRFGFFWWBP-UHFFFAOYSA-N -1 0 351.317 -0.181 20 0 FBADRM CN(CC(=O)N1CC2(CCN2Cc2ccc[nH]2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001275350722 841936577 /nfs/dbraw/zinc/93/65/77/841936577.db2.gz FEBBKERKAYHYAA-UHFFFAOYSA-N -1 0 370.350 -0.650 20 0 FBADRM CN(CC(=O)N1CC2(CN(Cc3ccc[nH]3)C2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001275350785 841936683 /nfs/dbraw/zinc/93/66/83/841936683.db2.gz FVMLPEUMTZCTDK-UHFFFAOYSA-N -1 0 370.350 -0.792 20 0 FBADRM CCNC(=O)CN1CC2(CN(Cc3ccc(C(=O)[O-])o3)C2)OCC1=O ZINC001275385495 841939532 /nfs/dbraw/zinc/93/95/32/841939532.db2.gz HMYUWIGJSCYTKJ-UHFFFAOYSA-N -1 0 351.359 -0.473 20 0 FBADRM CCNC(=O)CN1C(=O)COCC12CN(Cc1ccc(C(=O)[O-])o1)C2 ZINC001275386734 841939502 /nfs/dbraw/zinc/93/95/02/841939502.db2.gz XJQFUFYNDHHZDI-UHFFFAOYSA-N -1 0 351.359 -0.473 20 0 FBADRM CC[C@H](C(N)=O)N1C(=O)COCC12CN(Cc1ccc(C(=O)[O-])o1)C2 ZINC001275386787 841939400 /nfs/dbraw/zinc/93/94/00/841939400.db2.gz YTEYAPDWMLPDEN-LLVKDONJSA-N -1 0 351.359 -0.345 20 0 FBADRM CC[C@@H](C(N)=O)N1C(=O)COCC12CN(Cc1ccc(C(=O)[O-])o1)C2 ZINC001275386788 841939478 /nfs/dbraw/zinc/93/94/78/841939478.db2.gz YTEYAPDWMLPDEN-NSHDSACASA-N -1 0 351.359 -0.345 20 0 FBADRM CC[C@H](C(N)=O)N1CC2(CN(Cc3ccc(C(=O)[O-])o3)C2)OCC1=O ZINC001275386838 841938993 /nfs/dbraw/zinc/93/89/93/841938993.db2.gz ZYZWNOFAXGACLI-LLVKDONJSA-N -1 0 351.359 -0.345 20 0 FBADRM CC[C@@H](C(N)=O)N1CC2(CN(Cc3ccc(C(=O)[O-])o3)C2)OCC1=O ZINC001275386839 841939197 /nfs/dbraw/zinc/93/91/97/841939197.db2.gz ZYZWNOFAXGACLI-NSHDSACASA-N -1 0 351.359 -0.345 20 0 FBADRM CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)c3ccncc3[O-])C[C@@H]21 ZINC001275389543 841939552 /nfs/dbraw/zinc/93/95/52/841939552.db2.gz GCTDLLABIODUDA-AAEUAGOBSA-N -1 0 356.404 -0.881 20 0 FBADRM CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)c3ccncc3[O-])C[C@H]21 ZINC001275389544 841939345 /nfs/dbraw/zinc/93/93/45/841939345.db2.gz GCTDLLABIODUDA-YPMHNXCESA-N -1 0 356.404 -0.881 20 0 FBADRM Cn1cnc(S(=O)(=O)N2CCC23CN(C(=O)c2ccncc2[O-])C3)c1 ZINC001275389785 841939115 /nfs/dbraw/zinc/93/91/15/841939115.db2.gz LFEOQCWITTWVMS-UHFFFAOYSA-N -1 0 363.399 -0.190 20 0 FBADRM CN(C)S(=O)(=O)N1C[C@H]2CN(C(=O)c3ccncc3[O-])C[C@@H](C1)O2 ZINC001275390035 841939671 /nfs/dbraw/zinc/93/96/71/841939671.db2.gz NREVNXHUNDCDKN-PHIMTYICSA-N -1 0 356.404 -0.881 20 0 FBADRM CN(C)S(=O)(=O)N1C[C@@H]2COC[C@H](C1)N2C(=O)c1ccncc1[O-] ZINC001275390482 841939660 /nfs/dbraw/zinc/93/96/60/841939660.db2.gz SNECRGAXYQVKEH-PHIMTYICSA-N -1 0 356.404 -0.881 20 0 FBADRM Cn1cnc(S(=O)(=O)N2CC3(CN(C(=O)c4ccncc4[O-])C3)C2)c1 ZINC001275390497 841939516 /nfs/dbraw/zinc/93/95/16/841939516.db2.gz STVPBMMZILQQPI-UHFFFAOYSA-N -1 0 363.399 -0.333 20 0 FBADRM Cn1cnc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)N3C(=O)c2ccncc2[O-])c1 ZINC001275390545 841939439 /nfs/dbraw/zinc/93/94/39/841939439.db2.gz VRYGQZMGODKXLJ-PHIMTYICSA-N -1 0 363.399 -0.192 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)[C@@H]1C[C@@]1(F)Cl)CC2 ZINC001275695321 841953575 /nfs/dbraw/zinc/95/35/75/841953575.db2.gz CBFCRUPEPYGVDN-CPFSXVBKSA-N -1 0 368.760 -0.583 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1C[C@]1(F)Cl)CC2 ZINC001275695322 841953772 /nfs/dbraw/zinc/95/37/72/841953772.db2.gz CBFCRUPEPYGVDN-FUXBKTLASA-N -1 0 368.760 -0.583 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1C[C@@]1(F)Cl)CC2 ZINC001275695323 841953400 /nfs/dbraw/zinc/95/34/00/841953400.db2.gz CBFCRUPEPYGVDN-UHLUBPPHSA-N -1 0 368.760 -0.583 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)[C@@H]1C[C@]1(F)Cl)CC2 ZINC001275695324 841953791 /nfs/dbraw/zinc/95/37/91/841953791.db2.gz CBFCRUPEPYGVDN-WPPNPWJKSA-N -1 0 368.760 -0.583 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1noc2c1CN(C(=O)[C@@H]1C[C@@]1(F)Cl)CC2 ZINC001275701493 841954608 /nfs/dbraw/zinc/95/46/08/841954608.db2.gz VJOGAIHRXSCDTJ-CPFSXVBKSA-N -1 0 369.744 -0.319 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1noc2c1CN(C(=O)[C@H]1C[C@]1(F)Cl)CC2 ZINC001275701499 841954146 /nfs/dbraw/zinc/95/41/46/841954146.db2.gz VJOGAIHRXSCDTJ-FUXBKTLASA-N -1 0 369.744 -0.319 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1noc2c1CN(C(=O)[C@H]1C[C@@]1(F)Cl)CC2 ZINC001275701501 841954451 /nfs/dbraw/zinc/95/44/51/841954451.db2.gz VJOGAIHRXSCDTJ-UHLUBPPHSA-N -1 0 369.744 -0.319 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1noc2c1CN(C(=O)[C@@H]1C[C@]1(F)Cl)CC2 ZINC001275701503 841954288 /nfs/dbraw/zinc/95/42/88/841954288.db2.gz VJOGAIHRXSCDTJ-WPPNPWJKSA-N -1 0 369.744 -0.319 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CCN(C(=O)[C@@H]1C[C@@]1(F)Cl)C2 ZINC001275701581 841954342 /nfs/dbraw/zinc/95/43/42/841954342.db2.gz VXMJFQIEEIZBMU-CPFSXVBKSA-N -1 0 368.760 -0.583 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CCN(C(=O)[C@H]1C[C@]1(F)Cl)C2 ZINC001275701584 841954590 /nfs/dbraw/zinc/95/45/90/841954590.db2.gz VXMJFQIEEIZBMU-FUXBKTLASA-N -1 0 368.760 -0.583 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CCN(C(=O)[C@H]1C[C@@]1(F)Cl)C2 ZINC001275701586 841954417 /nfs/dbraw/zinc/95/44/17/841954417.db2.gz VXMJFQIEEIZBMU-UHLUBPPHSA-N -1 0 368.760 -0.583 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CCN(C(=O)[C@@H]1C[C@]1(F)Cl)C2 ZINC001275701589 841954562 /nfs/dbraw/zinc/95/45/62/841954562.db2.gz VXMJFQIEEIZBMU-WPPNPWJKSA-N -1 0 368.760 -0.583 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1C[C@@]1(F)Cl)C2 ZINC001275701901 841954255 /nfs/dbraw/zinc/95/42/55/841954255.db2.gz XRIRAYZXOJCPHR-INWYIAFRSA-N -1 0 354.733 -0.626 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)[C@@H]1C[C@]1(F)Cl)C2 ZINC001275701905 841954541 /nfs/dbraw/zinc/95/45/41/841954541.db2.gz XRIRAYZXOJCPHR-PWCHPLFNSA-N -1 0 354.733 -0.626 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)[C@@H]1C[C@@]1(F)Cl)C2 ZINC001275701907 841954082 /nfs/dbraw/zinc/95/40/82/841954082.db2.gz XRIRAYZXOJCPHR-QTTZVWFDSA-N -1 0 354.733 -0.626 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1C[C@]1(F)Cl)C2 ZINC001275701909 841954571 /nfs/dbraw/zinc/95/45/71/841954571.db2.gz XRIRAYZXOJCPHR-SREIQFSDSA-N -1 0 354.733 -0.626 20 0 FBADRM Cn1ncnc1C(=O)N1C[C@H]2C[C@@H](C1)N2C(=O)c1[nH]c(=O)ccc1Cl ZINC001275871637 841970274 /nfs/dbraw/zinc/97/02/74/841970274.db2.gz UJYVZPHMWCEKRC-DTORHVGOSA-N -1 0 362.777 -0.266 20 0 FBADRM Cn1ncnc1C(=O)N1CC2(C1)CN(C(=O)c1[nH]c(=O)ccc1Cl)C2 ZINC001275871718 841970706 /nfs/dbraw/zinc/97/07/06/841970706.db2.gz XHJDIKYGMXQKEJ-UHFFFAOYSA-N -1 0 362.777 -0.407 20 0 FBADRM C[C@H](C(=O)N1Cc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1)C(F)(F)F ZINC001275991902 841980034 /nfs/dbraw/zinc/98/00/34/841980034.db2.gz QTLMCDNXFVIPOM-RXMQYKEDSA-N -1 0 358.284 -0.352 20 0 FBADRM C[C@@H](C(=O)N1Cc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1)C(F)(F)F ZINC001275991903 841979894 /nfs/dbraw/zinc/97/98/94/841979894.db2.gz QTLMCDNXFVIPOM-YFKPBYRVSA-N -1 0 358.284 -0.352 20 0 FBADRM O=C(NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1)[C@]12CCC[C@H]1OCC2 ZINC001276062491 841985947 /nfs/dbraw/zinc/98/59/47/841985947.db2.gz MBYCVKFAONZPEJ-BZNIZROVSA-N -1 0 351.407 -0.478 20 0 FBADRM O=C([N-]c1nnco1)c1noc2c1CN(C(=O)C1CS(=O)(=O)C1)CC2 ZINC001276234960 842004558 /nfs/dbraw/zinc/00/45/58/842004558.db2.gz ZIPUPOFKYHWWLD-UHFFFAOYSA-N -1 0 367.343 -0.761 20 0 FBADRM CSC[C@@H](C)C(=O)N1CCc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001276292786 842010449 /nfs/dbraw/zinc/01/04/49/842010449.db2.gz APJICCWOHPKPHF-MRVPVSSYSA-N -1 0 364.435 -0.509 20 0 FBADRM CSC[C@H](C)C(=O)N1CCc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001276292787 842010891 /nfs/dbraw/zinc/01/08/91/842010891.db2.gz APJICCWOHPKPHF-QMMMGPOBSA-N -1 0 364.435 -0.509 20 0 FBADRM CSC[C@@H](C)C(=O)N1CCc2onc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001276293533 842011577 /nfs/dbraw/zinc/01/15/77/842011577.db2.gz LADVHSZABLZCFC-MRVPVSSYSA-N -1 0 365.419 -0.244 20 0 FBADRM CSC[C@H](C)C(=O)N1CCc2onc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001276293534 842011699 /nfs/dbraw/zinc/01/16/99/842011699.db2.gz LADVHSZABLZCFC-QMMMGPOBSA-N -1 0 365.419 -0.244 20 0 FBADRM CSC[C@@H](C)C(=O)N1Cc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001276295886 842011397 /nfs/dbraw/zinc/01/13/97/842011397.db2.gz JXJWQZZEKQMPBU-SSDOTTSWSA-N -1 0 350.408 -0.551 20 0 FBADRM CSC[C@H](C)C(=O)N1Cc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001276295887 842011455 /nfs/dbraw/zinc/01/14/55/842011455.db2.gz JXJWQZZEKQMPBU-ZETCQYMHSA-N -1 0 350.408 -0.551 20 0 FBADRM CSC[C@@H](C)C(=O)N1CCc2c([nH]nc2C(=O)N=c2nn[n-]n2C)C1 ZINC001276296361 842011418 /nfs/dbraw/zinc/01/14/18/842011418.db2.gz QFZJGXHDPVYXKP-MRVPVSSYSA-N -1 0 364.435 -0.509 20 0 FBADRM CSC[C@H](C)C(=O)N1CCc2c([nH]nc2C(=O)N=c2nn[n-]n2C)C1 ZINC001276296362 842011764 /nfs/dbraw/zinc/01/17/64/842011764.db2.gz QFZJGXHDPVYXKP-QMMMGPOBSA-N -1 0 364.435 -0.509 20 0 FBADRM CCNC(=O)CN1CC2(CN(Cc3sccc3C(=O)[O-])C2)OCC1=O ZINC001276569193 844105010 /nfs/dbraw/zinc/10/50/10/844105010.db2.gz LTRREPARZVKQHP-UHFFFAOYSA-N -1 0 367.427 -0.004 20 0 FBADRM CCNC(=O)CN1C(=O)COCC12CN(Cc1sccc1C(=O)[O-])C2 ZINC001276570136 844110380 /nfs/dbraw/zinc/11/03/80/844110380.db2.gz ZCEWDONSQYJUHK-UHFFFAOYSA-N -1 0 367.427 -0.004 20 0 FBADRM CCNC(=O)CN1C(=O)COCC12CN(Cc1ccc(C(=O)[O-])s1)C2 ZINC001276613788 844131231 /nfs/dbraw/zinc/13/12/31/844131231.db2.gz QOOWPBDOSPURAO-UHFFFAOYSA-N -1 0 367.427 -0.004 20 0 FBADRM CCNC(=O)CN1CC2(CN(Cc3ccc(C(=O)[O-])s3)C2)OCC1=O ZINC001276614268 844131761 /nfs/dbraw/zinc/13/17/61/844131761.db2.gz ZLGZCGTYPBWKGB-UHFFFAOYSA-N -1 0 367.427 -0.004 20 0 FBADRM CN(CC(=O)N1CC[C@]2(CCC[C@@H]2C(N)=O)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001276943805 845774144 /nfs/dbraw/zinc/77/41/44/845774144.db2.gz CPNSKTHSJCOFIH-NOZJJQNGSA-N -1 0 361.339 -0.961 20 0 FBADRM CN(CC(=O)N1CC[C@@]2(CCC[C@@H]2C(N)=O)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001276943806 845773750 /nfs/dbraw/zinc/77/37/50/845773750.db2.gz CPNSKTHSJCOFIH-RNCFNFMXSA-N -1 0 361.339 -0.961 20 0 FBADRM CN(CC(=O)N1CC[C@]2(CCC[C@H]2C(N)=O)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001276943807 845773738 /nfs/dbraw/zinc/77/37/38/845773738.db2.gz CPNSKTHSJCOFIH-TVQRCGJNSA-N -1 0 361.339 -0.961 20 0 FBADRM CN(CC(=O)N1CC[C@@]2(CCC[C@H]2C(N)=O)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001276943808 845773708 /nfs/dbraw/zinc/77/37/08/845773708.db2.gz CPNSKTHSJCOFIH-ZANVPECISA-N -1 0 361.339 -0.961 20 0 FBADRM CN(CC(=O)N1CCC2(C=C(C(N)=O)CC2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001276943970 845773703 /nfs/dbraw/zinc/77/37/03/845773703.db2.gz FYDQBRWWUGMSKU-UHFFFAOYSA-N -1 0 373.350 -0.650 20 0 FBADRM NC(=O)CN1C[C@@]2(F)C(=O)N(Cc3ccc(C(=O)[O-])cc3)C[C@@]2(F)C1 ZINC001276965262 845781995 /nfs/dbraw/zinc/78/19/95/845781995.db2.gz GLCLCISABUOFRK-JKSUJKDBSA-N -1 0 353.325 -0.056 20 0 FBADRM CN(C)S(=O)(=O)N1CC2(CN(C(=O)c3cc(=O)[nH]c(C4CC4)n3)C2)C1 ZINC001277387836 845905205 /nfs/dbraw/zinc/90/52/05/845905205.db2.gz QGQUUXJVXLEGQB-UHFFFAOYSA-N -1 0 367.431 -0.376 20 0 FBADRM CN(C)S(=O)(=O)N1CCC12CN(C(=O)c1cc(=O)[nH]c(C3CC3)n1)C2 ZINC001277388378 845904803 /nfs/dbraw/zinc/90/48/03/845904803.db2.gz VXXPSEAOTIFEJY-UHFFFAOYSA-N -1 0 367.431 -0.234 20 0 FBADRM O=C(Cn1cc(Cl)cn1)N1CC2(C1)CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001277487669 845946441 /nfs/dbraw/zinc/94/64/41/845946441.db2.gz NUBAZALENBVFLH-UHFFFAOYSA-N -1 0 350.766 -0.050 20 0 FBADRM CN(C)C(=O)CN1CCO[C@@]2(CCCN(C(=O)c3cc(=O)[nH][n-]3)C2)C1 ZINC001277487895 845946041 /nfs/dbraw/zinc/94/60/41/845946041.db2.gz SKJRXZHGEGPBAY-INIZCTEOSA-N -1 0 351.407 -0.490 20 0 FBADRM CN(C)C(=O)CN1CCO[C@]2(CCCN(C(=O)c3cc(=O)[nH][n-]3)C2)C1 ZINC001277487896 845946077 /nfs/dbraw/zinc/94/60/77/845946077.db2.gz SKJRXZHGEGPBAY-MRXNPFEDSA-N -1 0 351.407 -0.490 20 0 FBADRM Cn1cnc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)N3C(=O)c2cc(=O)[nH][n-]2)c1 ZINC001277488355 845946269 /nfs/dbraw/zinc/94/62/69/845946269.db2.gz CKQHISIPVSHFIP-DTORHVGOSA-N -1 0 352.376 -0.864 20 0 FBADRM Cn1cnc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(=O)[nH][n-]2)c1 ZINC001277488382 845945998 /nfs/dbraw/zinc/94/59/98/845945998.db2.gz DDQUSFDOJFHAJP-AOOOYVTPSA-N -1 0 366.403 -0.474 20 0 FBADRM CN(C)S(=O)(=O)N1CC[C@@]2(C1)CCCN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001277488442 845946145 /nfs/dbraw/zinc/94/61/45/845946145.db2.gz GPGAVKVUKWAIGY-AWEZNQCLSA-N -1 0 357.436 -0.150 20 0 FBADRM CN(C)S(=O)(=O)N1CC[C@]2(C1)CCCN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001277488443 845945988 /nfs/dbraw/zinc/94/59/88/845945988.db2.gz GPGAVKVUKWAIGY-CQSZACIVSA-N -1 0 357.436 -0.150 20 0 FBADRM Cn1cnc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)N(C(=O)c2cc(=O)[nH][n-]2)C3)c1 ZINC001277488457 845946410 /nfs/dbraw/zinc/94/64/10/845946410.db2.gz GVQPHTBFQFHGRY-ZJUUUORDSA-N -1 0 366.403 -0.616 20 0 FBADRM CN(C)S(=O)(=O)N1CCC2(C1)CCN(C(=O)c1cc(=O)[nH][n-]1)CC2 ZINC001277488482 845946052 /nfs/dbraw/zinc/94/60/52/845946052.db2.gz HVGVMDYXYWYCBN-UHFFFAOYSA-N -1 0 357.436 -0.150 20 0 FBADRM O=C(NCC(F)(F)F)N1C[C@H]2CN(C(=O)c3cc(=O)[nH][n-]3)C[C@@H](C1)O2 ZINC001277488504 845946274 /nfs/dbraw/zinc/94/62/74/845946274.db2.gz INBNFDVRKRACNU-OCAPTIKFSA-N -1 0 363.296 -0.088 20 0 FBADRM O=C(NCC(F)(F)F)N1C[C@@H]2COC[C@H](C1)N2C(=O)c1cc(=O)[nH][n-]1 ZINC001277488849 845947215 /nfs/dbraw/zinc/94/72/15/845947215.db2.gz LREKGLNRYZSHQK-OCAPTIKFSA-N -1 0 363.296 -0.088 20 0 FBADRM Cn1cnc(S(=O)(=O)N2C[C@@H]3CCN(C(=O)c4cc(=O)[nH][n-]4)[C@@H]3C2)c1 ZINC001277488912 845947057 /nfs/dbraw/zinc/94/70/57/845947057.db2.gz MPMGDUZAKSSNOO-GXSJLCMTSA-N -1 0 366.403 -0.616 20 0 FBADRM Cn1cnc(S(=O)(=O)N2CCC3(CN(C(=O)c4cc(=O)[nH][n-]4)C3)C2)c1 ZINC001277488954 845947115 /nfs/dbraw/zinc/94/71/15/845947115.db2.gz NPXMKLFGLLJBSA-UHFFFAOYSA-N -1 0 366.403 -0.614 20 0 FBADRM O=C(NCC(F)(F)F)N1CCO[C@H]2CN(C(=O)c3cc(=O)[nH][n-]3)C[C@H]21 ZINC001277490076 845947308 /nfs/dbraw/zinc/94/73/08/845947308.db2.gz TYRPPNDLYFHBEZ-BDAKNGLRSA-N -1 0 363.296 -0.088 20 0 FBADRM O=C(NCC(F)(F)F)N1CCO[C@H]2CN(C(=O)c3cc(=O)[nH][n-]3)C[C@@H]21 ZINC001277490078 845947251 /nfs/dbraw/zinc/94/72/51/845947251.db2.gz TYRPPNDLYFHBEZ-IUCAKERBSA-N -1 0 363.296 -0.088 20 0 FBADRM Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(=O)[nH][n-]2)c1 ZINC001277490106 845947155 /nfs/dbraw/zinc/94/71/55/845947155.db2.gz UHWHLHCIMYIVGW-QWRGUYRKSA-N -1 0 366.403 -0.474 20 0 FBADRM Cn1cnc(S(=O)(=O)N2CCC23CN(C(=O)c2cc(=O)[nH][n-]2)C3)c1 ZINC001277490180 845947178 /nfs/dbraw/zinc/94/71/78/845947178.db2.gz VCLOUZKIKPHZFT-UHFFFAOYSA-N -1 0 352.376 -0.862 20 0 FBADRM O=C(NCC(F)(F)F)N1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001277490473 845947184 /nfs/dbraw/zinc/94/71/84/845947184.db2.gz XPOSGSIWXWHFDL-OCAPTIKFSA-N -1 0 363.296 -0.088 20 0 FBADRM CN(C)S(=O)(=O)N1CC[C@H]2CN(C(=O)c3cc(=O)[nH][n-]3)C[C@H]2CC1 ZINC001277490494 845946992 /nfs/dbraw/zinc/94/69/92/845946992.db2.gz YDJKHYHJBYQOQC-PHIMTYICSA-N -1 0 357.436 -0.294 20 0 FBADRM CN(C)S(=O)(=O)N1CCO[C@]2(CCCN(C(=O)c3cc(=O)[nH][n-]3)C2)C1 ZINC001277490671 845946998 /nfs/dbraw/zinc/94/69/98/845946998.db2.gz ZPZDSNRIZREHKG-AWEZNQCLSA-N -1 0 373.435 -0.771 20 0 FBADRM CN(C)S(=O)(=O)N1CCO[C@@]2(CCCN(C(=O)c3cc(=O)[nH][n-]3)C2)C1 ZINC001277490680 845947199 /nfs/dbraw/zinc/94/71/99/845947199.db2.gz ZPZDSNRIZREHKG-CQSZACIVSA-N -1 0 373.435 -0.771 20 0 FBADRM O=C(Cc1ccsc1)N1C[C@H]2C[C@@H](C1)N2C(=O)c1c[nH]c(=O)c(=O)[n-]1 ZINC001277627085 845966878 /nfs/dbraw/zinc/96/68/78/845966878.db2.gz BCKZLJYFQQDBIT-PHIMTYICSA-N -1 0 360.395 -0.207 20 0 FBADRM COCCOCN1CC2(C1)CCN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)CC2 ZINC001277627178 845966872 /nfs/dbraw/zinc/96/68/72/845966872.db2.gz CQURDNIDSWGVTL-UHFFFAOYSA-N -1 0 352.391 -0.778 20 0 FBADRM O=C(NCC(F)(F)F)N1CCC12CN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)C2 ZINC001277627816 845966936 /nfs/dbraw/zinc/96/69/36/845966936.db2.gz SGZBQHAFSIBYDN-UHFFFAOYSA-N -1 0 361.280 -0.765 20 0 FBADRM O=C(Cc1ccsc1)N1CC2(C1)CN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)C2 ZINC001277627868 845966703 /nfs/dbraw/zinc/96/67/03/845966703.db2.gz UEZGWHIIPDYBJC-UHFFFAOYSA-N -1 0 360.395 -0.348 20 0 FBADRM O=C(Cc1ccsc1)N1CCC12CN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)C2 ZINC001277627905 845966698 /nfs/dbraw/zinc/96/66/98/845966698.db2.gz ULVBNQSHSSNZRH-UHFFFAOYSA-N -1 0 360.395 -0.206 20 0 FBADRM O=C(NCC(F)(F)F)N1C[C@H]2C[C@@H](C1)N2C(=O)c1c[nH]c(=O)c(=O)[n-]1 ZINC001277627966 845966795 /nfs/dbraw/zinc/96/67/95/845966795.db2.gz VNGGZZGJLLPIPJ-KNVOCYPGSA-N -1 0 361.280 -0.766 20 0 FBADRM COCCOCN1CC2(C1)CCCN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)C2 ZINC001277628161 845966857 /nfs/dbraw/zinc/96/68/57/845966857.db2.gz YQIOGWLEDWYOIY-UHFFFAOYSA-N -1 0 352.391 -0.778 20 0 FBADRM O=C(NCC(F)(F)F)N1CC2(C1)CN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)C2 ZINC001277628189 845966833 /nfs/dbraw/zinc/96/68/33/845966833.db2.gz YWMRDFUCLGGZAO-UHFFFAOYSA-N -1 0 361.280 -0.907 20 0 FBADRM CN(C)C(=O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(Br)n[nH]1 ZINC001277705366 845976434 /nfs/dbraw/zinc/97/64/34/845976434.db2.gz AGHXOJUQJFSNAU-DTORHVGOSA-N -1 0 371.239 -0.056 20 0 FBADRM O=C([O-])c1ccc(CN2C(=O)COCC23CN(C[C@H](O)CO)C3)cc1 ZINC001277719321 845982830 /nfs/dbraw/zinc/98/28/30/845982830.db2.gz MDVODLGDXHYYJA-AWEZNQCLSA-N -1 0 350.371 -0.849 20 0 FBADRM O=C([O-])c1ccc(CN2CC3(CN(C[C@H](O)CO)C3)OCC2=O)cc1 ZINC001277720040 845982964 /nfs/dbraw/zinc/98/29/64/845982964.db2.gz UEURCFLUDMPYID-AWEZNQCLSA-N -1 0 350.371 -0.849 20 0 FBADRM Cn1[n-]c(C(=O)N2CC3(CN(C(=O)Cn4cc(Cl)cn4)C3)C2)cc1=O ZINC001277996720 846033993 /nfs/dbraw/zinc/03/39/93/846033993.db2.gz MPZCNUSGMXARHU-UHFFFAOYSA-N -1 0 364.793 -0.040 20 0 FBADRM CN(C)S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)n(C)[n-]1 ZINC001278005095 846035222 /nfs/dbraw/zinc/03/52/22/846035222.db2.gz CLEXMNLMHPERKW-FGWVZKOKSA-N -1 0 357.436 -0.343 20 0 FBADRM Cn1cnc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)N3C(=O)c2cc(=O)n(C)[n-]2)c1 ZINC001278005568 846035168 /nfs/dbraw/zinc/03/51/68/846035168.db2.gz JKFMJWIUNBYTAM-AOOOYVTPSA-N -1 0 366.403 -0.853 20 0 FBADRM Cn1cnc(S(=O)(=O)N2CCC23CN(C(=O)c2cc(=O)n(C)[n-]2)C3)c1 ZINC001278005986 846035340 /nfs/dbraw/zinc/03/53/40/846035340.db2.gz NCCFUFHMZCFYEL-UHFFFAOYSA-N -1 0 366.403 -0.852 20 0 FBADRM CN(C)S(=O)(=O)N1CC[C@@]2(C1)CCCN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001278006018 846035012 /nfs/dbraw/zinc/03/50/12/846035012.db2.gz OVABJUPRGIAMSE-HNNXBMFYSA-N -1 0 371.463 -0.140 20 0 FBADRM CN(C)S(=O)(=O)N1CC[C@]2(C1)CCCN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001278006019 846034923 /nfs/dbraw/zinc/03/49/23/846034923.db2.gz OVABJUPRGIAMSE-OAHLLOKOSA-N -1 0 371.463 -0.140 20 0 FBADRM CN(C)S(=O)(=O)N1CC[C@H]2CN(C(=O)c3cc(=O)n(C)[n-]3)C[C@H]2CC1 ZINC001278006379 846035082 /nfs/dbraw/zinc/03/50/82/846035082.db2.gz QRTJQIRJENIBHM-TXEJJXNPSA-N -1 0 371.463 -0.284 20 0 FBADRM CN(C)S(=O)(=O)N1CC2(C1)CCCN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001278006390 846035330 /nfs/dbraw/zinc/03/53/30/846035330.db2.gz RAYDKPRZFNMQEZ-UHFFFAOYSA-N -1 0 357.436 -0.530 20 0 FBADRM CN(C)S(=O)(=O)N1CCC2(C1)CCN(C(=O)c1cc(=O)n(C)[n-]1)CC2 ZINC001278006800 846035281 /nfs/dbraw/zinc/03/52/81/846035281.db2.gz TYJUILQPYUSLGP-UHFFFAOYSA-N -1 0 371.463 -0.140 20 0 FBADRM CN(C)S(=O)(=O)N1CC2(C1)CCN(C(=O)c1cc(=O)n(C)[n-]1)CC2 ZINC001278007401 846035269 /nfs/dbraw/zinc/03/52/69/846035269.db2.gz YCSLKILMTLXUSW-UHFFFAOYSA-N -1 0 357.436 -0.530 20 0 FBADRM Cn1cnc(S(=O)(=O)N2CC3(CN(C(=O)c4cc(=O)n(C)[n-]4)C3)C2)c1 ZINC001278007711 846034944 /nfs/dbraw/zinc/03/49/44/846034944.db2.gz ZFMOJDMIVVRGBN-UHFFFAOYSA-N -1 0 366.403 -0.994 20 0 FBADRM Cc1cc(C(=O)N2C[C@@H]3C(C(=O)N=c4nn[n-]n4C)=NO[C@@H]3C2)cs1 ZINC001278115954 846043969 /nfs/dbraw/zinc/04/39/69/846043969.db2.gz AMVYYFKSKAJQSW-VHSXEESVSA-N -1 0 361.387 -0.533 20 0 FBADRM Cc1csc(C(=O)N2Cc3[nH]nc(C(=O)N=c4nn[n-]n4C)c3C2)n1 ZINC001278139611 846046048 /nfs/dbraw/zinc/04/60/48/846046048.db2.gz MQMNOTLWIRLWRC-UHFFFAOYSA-N -1 0 359.375 -0.472 20 0 FBADRM CS(=O)(=O)N1CC2(C1)CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CO2 ZINC001278152145 846048971 /nfs/dbraw/zinc/04/89/71/846048971.db2.gz RMDOMESWRANWOH-UHFFFAOYSA-N -1 0 354.384 -0.242 20 0 FBADRM CS(=O)(=O)N1CC2(C1)COCC(=O)N2Cc1ccc(C(=O)[O-])cc1 ZINC001278152543 846048872 /nfs/dbraw/zinc/04/88/72/846048872.db2.gz URHRCKYSBBYPNS-UHFFFAOYSA-N -1 0 354.384 -0.242 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1cc2c([nH]1)CN(C(=O)c1cnsn1)CC2 ZINC001278298038 846084964 /nfs/dbraw/zinc/08/49/64/846084964.db2.gz JQKQNQRVFUQYHF-UHFFFAOYSA-N -1 0 359.375 -0.738 20 0 FBADRM NC(=O)c1nnc2n1CCN(C(=O)c1ccccc1S(=O)(=O)[O-])C2 ZINC001278313639 846085526 /nfs/dbraw/zinc/08/55/26/846085526.db2.gz BIEYHASPNRATPX-UHFFFAOYSA-N -1 0 351.344 -0.720 20 0 FBADRM NC(=O)c1[nH]nc2c1CCN(C(=O)c1ccccc1S(=O)(=O)[O-])C2 ZINC001278314865 846085795 /nfs/dbraw/zinc/08/57/95/846085795.db2.gz RFYAARPOESOSFA-UHFFFAOYSA-N -1 0 350.356 -0.046 20 0 FBADRM NC(=O)[C@H]1COCCC12CN(C(=O)c1ccccc1S(=O)(=O)[O-])C2 ZINC001278315085 846085719 /nfs/dbraw/zinc/08/57/19/846085719.db2.gz SQAKNXLKBAYQSH-LLVKDONJSA-N -1 0 354.384 -0.103 20 0 FBADRM NC(=O)[C@@H]1COCCC12CN(C(=O)c1ccccc1S(=O)(=O)[O-])C2 ZINC001278315087 846085558 /nfs/dbraw/zinc/08/55/58/846085558.db2.gz SQAKNXLKBAYQSH-NSHDSACASA-N -1 0 354.384 -0.103 20 0 FBADRM NC(=O)c1[nH]nc2c1CN(C(=O)c1ccccc1S(=O)(=O)[O-])CC2 ZINC001278315280 846085903 /nfs/dbraw/zinc/08/59/03/846085903.db2.gz VOVILNRCDGHODF-UHFFFAOYSA-N -1 0 350.356 -0.046 20 0 FBADRM NC(=O)c1cn2c(n1)CN(C(=O)c1ccccc1S(=O)(=O)[O-])CC2 ZINC001278318104 846086550 /nfs/dbraw/zinc/08/65/50/846086550.db2.gz DOJQRTGIZKNLEH-UHFFFAOYSA-N -1 0 350.356 -0.115 20 0 FBADRM NC(=O)c1cnc2n1CCN(C(=O)c1ccccc1S(=O)(=O)[O-])C2 ZINC001278319309 846086582 /nfs/dbraw/zinc/08/65/82/846086582.db2.gz UBYDZUVCILVHHM-UHFFFAOYSA-N -1 0 350.356 -0.115 20 0 FBADRM CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)c3ccccc3S(=O)(=O)[O-])C[C@H]12 ZINC001278319413 846086786 /nfs/dbraw/zinc/08/67/86/846086786.db2.gz XWSQFIPHGJHVPE-WDEREUQCSA-N -1 0 367.383 -0.152 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)c1coc(Cl)n1)C2 ZINC001278402234 846090597 /nfs/dbraw/zinc/09/05/97/846090597.db2.gz FRMNSMJWFCVTAT-UHFFFAOYSA-N -1 0 363.725 -0.595 20 0 FBADRM CN(C)C(=O)CN1CC2(C1)CN(C(=O)c1ccccc1S(=O)(=O)[O-])C2 ZINC001278488685 846113665 /nfs/dbraw/zinc/11/36/65/846113665.db2.gz NSIMVVFENRENGE-UHFFFAOYSA-N -1 0 367.427 -0.221 20 0 FBADRM CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N2C(=O)c1ccccc1S(=O)(=O)[O-] ZINC001278489154 846113414 /nfs/dbraw/zinc/11/34/14/846113414.db2.gz UQNMHNBUPHNZJA-TXEJJXNPSA-N -1 0 367.427 -0.080 20 0 FBADRM CN(C)C(=O)CN1CCC12CN(C(=O)c1ccccc1S(=O)(=O)[O-])C2 ZINC001278489272 846113180 /nfs/dbraw/zinc/11/31/80/846113180.db2.gz ZONMQQSEBUMLEN-UHFFFAOYSA-N -1 0 367.427 -0.078 20 0 FBADRM CS(=O)(=O)CCNC(=O)[C@@]12C[C@@H]1CN(C(=O)c1ccncc1[O-])C2 ZINC001278492787 846117421 /nfs/dbraw/zinc/11/74/21/846117421.db2.gz CPZAHHCQYGJIAN-MEBBXXQBSA-N -1 0 353.400 -0.590 20 0 FBADRM CS(=O)(=O)CCNC(=O)[C@]12C[C@H]1CCN2C(=O)c1ccncc1[O-] ZINC001278493399 846117740 /nfs/dbraw/zinc/11/77/40/846117740.db2.gz HSVPJCXHSARZIZ-BMIGLBTASA-N -1 0 353.400 -0.447 20 0 FBADRM CS(=O)(=O)CCNC(=O)[C@@]12C[C@@H]1CCN2C(=O)c1ccncc1[O-] ZINC001278493403 846117845 /nfs/dbraw/zinc/11/78/45/846117845.db2.gz HSVPJCXHSARZIZ-ZUZCIYMTSA-N -1 0 353.400 -0.447 20 0 FBADRM CS(=O)(=O)CCNC(=O)[C@H]1CC12CN(C(=O)c1ccncc1[O-])C2 ZINC001278493990 846117451 /nfs/dbraw/zinc/11/74/51/846117451.db2.gz LGIIVEFEHZPBRZ-LLVKDONJSA-N -1 0 353.400 -0.590 20 0 FBADRM CS(=O)(=O)CCNC(=O)[C@@H]1CC12CN(C(=O)c1ccncc1[O-])C2 ZINC001278493991 846117652 /nfs/dbraw/zinc/11/76/52/846117652.db2.gz LGIIVEFEHZPBRZ-NSHDSACASA-N -1 0 353.400 -0.590 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CC3(C2)COCC(=O)N3C)cc1C(=O)[O-] ZINC001278682659 846200680 /nfs/dbraw/zinc/20/06/80/846200680.db2.gz GIDOPYVMZCCMIM-UHFFFAOYSA-N -1 0 354.384 -0.075 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CC3(C2)CN(C)C(=O)CO3)cc1C(=O)[O-] ZINC001278683119 846200583 /nfs/dbraw/zinc/20/05/83/846200583.db2.gz RIWHZMOCEDSYBM-UHFFFAOYSA-N -1 0 354.384 -0.075 20 0 FBADRM CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)c3ccc(F)cc3[O-])C[C@@H]21 ZINC001278691292 846206137 /nfs/dbraw/zinc/20/61/37/846206137.db2.gz BMGQNCYMQVOTBJ-JSGCOSHPSA-N -1 0 373.406 -0.137 20 0 FBADRM CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)c3ccc(F)cc3[O-])C[C@H]21 ZINC001278691293 846206115 /nfs/dbraw/zinc/20/61/15/846206115.db2.gz BMGQNCYMQVOTBJ-OCCSQVGLSA-N -1 0 373.406 -0.137 20 0 FBADRM CN(C)S(=O)(=O)N1C[C@H]2CN(C(=O)c3ccc(F)cc3[O-])C[C@@H](C1)O2 ZINC001278691364 846206755 /nfs/dbraw/zinc/20/67/55/846206755.db2.gz DZTISXWUPVWMOI-TXEJJXNPSA-N -1 0 373.406 -0.137 20 0 FBADRM CN(C)S(=O)(=O)N1C[C@@H]2COC[C@H](C1)N2C(=O)c1ccc(F)cc1[O-] ZINC001278691758 846206993 /nfs/dbraw/zinc/20/69/93/846206993.db2.gz PEYXQYYOUXLLFP-TXEJJXNPSA-N -1 0 373.406 -0.137 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC3(C2)CN(C)C(=O)CO3)cc1C(=O)[O-] ZINC001278692038 846207199 /nfs/dbraw/zinc/20/71/99/846207199.db2.gz VVGNYGSZKRZHON-UHFFFAOYSA-N -1 0 370.383 -0.375 20 0 FBADRM COc1ccc(S(=O)(=O)N2CC3(C2)COCC(=O)N3C)cc1C(=O)[O-] ZINC001278692118 846206834 /nfs/dbraw/zinc/20/68/34/846206834.db2.gz XFTUFMDRYAWYKQ-UHFFFAOYSA-N -1 0 370.383 -0.375 20 0 FBADRM CN1C(=O)COCC12CN(S(=O)(=O)c1ccc(-c3nn[nH]n3)cc1)C2 ZINC001278697036 846208636 /nfs/dbraw/zinc/20/86/36/846208636.db2.gz IGDBFZQHWVGITG-UHFFFAOYSA-N -1 0 364.387 -0.902 20 0 FBADRM CN1CC2(CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)C2)OCC1=O ZINC001278697368 846209016 /nfs/dbraw/zinc/20/90/16/846209016.db2.gz MDVLWGLCLGLZHY-UHFFFAOYSA-N -1 0 364.387 -0.902 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC2(C1)CN(C)C(=O)CO2 ZINC001278702226 846212141 /nfs/dbraw/zinc/21/21/41/846212141.db2.gz LNYQLPGUBXLMSH-UHFFFAOYSA-N -1 0 354.384 -0.075 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC2(C1)COCC(=O)N2C ZINC001278702480 846212275 /nfs/dbraw/zinc/21/22/75/846212275.db2.gz NVPLIKCOJZIVDO-UHFFFAOYSA-N -1 0 354.384 -0.075 20 0 FBADRM CN1CC2(CN(S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)C2)OCC1=O ZINC001278708470 846215283 /nfs/dbraw/zinc/21/52/83/846215283.db2.gz AGWOFJFGVPPFCE-UHFFFAOYSA-N -1 0 358.347 -0.244 20 0 FBADRM CN1C(=O)COCC12CN(S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)C2 ZINC001278709347 846214840 /nfs/dbraw/zinc/21/48/40/846214840.db2.gz WJNIMIDYJUCDDU-UHFFFAOYSA-N -1 0 358.347 -0.244 20 0 FBADRM Cc1scnc1C(=O)N1Cc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001278712159 846216030 /nfs/dbraw/zinc/21/60/30/846216030.db2.gz OOPRULBXCCFUCT-UHFFFAOYSA-N -1 0 359.375 -0.472 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1cc2c([nH]1)CN(C(=O)c1cnsc1)CC2 ZINC001278772632 846254334 /nfs/dbraw/zinc/25/43/34/846254334.db2.gz DZMVAQXLICGHTJ-UHFFFAOYSA-N -1 0 358.387 -0.133 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)c1cnsc1)CC2 ZINC001278772806 846254232 /nfs/dbraw/zinc/25/42/32/846254232.db2.gz KFPSRISELXZYSG-UHFFFAOYSA-N -1 0 359.375 -0.738 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CCN(C(=O)c1cnsc1)C2 ZINC001278772815 846254569 /nfs/dbraw/zinc/25/45/69/846254569.db2.gz KHWRJKUBUHAGSB-UHFFFAOYSA-N -1 0 359.375 -0.738 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1noc2c1CN(C(=O)c1cnsc1)CC2 ZINC001278773256 846254735 /nfs/dbraw/zinc/25/47/35/846254735.db2.gz XSCNVELZAQEAJA-UHFFFAOYSA-N -1 0 360.359 -0.473 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)c1c[nH]nc1Cl)C2 ZINC001278775166 846254661 /nfs/dbraw/zinc/25/46/61/846254661.db2.gz FIVYSYACGAAJPQ-UHFFFAOYSA-N -1 0 362.741 -0.860 20 0 FBADRM CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)COCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001278799084 846269561 /nfs/dbraw/zinc/26/95/61/846269561.db2.gz ABSJNEBNJLPYPB-ABAIWWIYSA-N -1 0 370.431 -0.373 20 0 FBADRM CC(=O)[C@@H](C)N1C[C@]2(CC1=O)COCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001278799085 846269466 /nfs/dbraw/zinc/26/94/66/846269466.db2.gz ABSJNEBNJLPYPB-IAQYHMDHSA-N -1 0 370.431 -0.373 20 0 FBADRM CC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001278799086 846268907 /nfs/dbraw/zinc/26/89/07/846268907.db2.gz ABSJNEBNJLPYPB-NHYWBVRUSA-N -1 0 370.431 -0.373 20 0 FBADRM CC(=O)[C@H](C)N1C[C@]2(CC1=O)COCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001278799087 846269127 /nfs/dbraw/zinc/26/91/27/846269127.db2.gz ABSJNEBNJLPYPB-XHDPSFHLSA-N -1 0 370.431 -0.373 20 0 FBADRM COC(C)(C)CN1CC2(CN(S(=O)(=O)c3ncc[n-]3)C2)OCC1=O ZINC001278799098 846269239 /nfs/dbraw/zinc/26/92/39/846269239.db2.gz AHVKPGOTTCJBQK-UHFFFAOYSA-N -1 0 358.420 -0.563 20 0 FBADRM CNC(=O)C(C)(C)N1C(=O)CC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ncc[n-]1 ZINC001278799107 846269696 /nfs/dbraw/zinc/26/96/96/846269696.db2.gz ANIIZSXARUKRGW-GHMZBOCLSA-N -1 0 369.447 -0.312 20 0 FBADRM CC[C@H](C(N)=O)N1CCC2(CCN(S(=O)(=O)c3ncc[n-]3)CC2)C1=O ZINC001278799108 846269748 /nfs/dbraw/zinc/26/97/48/846269748.db2.gz ASPYWOIOENDRNI-LLVKDONJSA-N -1 0 369.447 -0.323 20 0 FBADRM CC[C@@H](C(N)=O)N1CCC2(CCN(S(=O)(=O)c3ncc[n-]3)CC2)C1=O ZINC001278799109 846268832 /nfs/dbraw/zinc/26/88/32/846268832.db2.gz ASPYWOIOENDRNI-NSHDSACASA-N -1 0 369.447 -0.323 20 0 FBADRM O=C1COCC2(CN(S(=O)(=O)c3ncc[n-]3)C2)N1CC(F)(F)F ZINC001278799113 846269644 /nfs/dbraw/zinc/26/96/44/846269644.db2.gz AYENTCFBVHVCEN-UHFFFAOYSA-N -1 0 354.310 -0.426 20 0 FBADRM CN(C)C(=O)CCN1CC[C@@]2(CCCN2S(=O)(=O)c2ncc[n-]2)C1=O ZINC001278799114 846269540 /nfs/dbraw/zinc/26/95/40/846269540.db2.gz AZOGQZKOIQMMKC-HNNXBMFYSA-N -1 0 369.447 -0.356 20 0 FBADRM CN(C)C(=O)CCN1CC[C@]2(CCCN2S(=O)(=O)c2ncc[n-]2)C1=O ZINC001278799115 846268996 /nfs/dbraw/zinc/26/89/96/846268996.db2.gz AZOGQZKOIQMMKC-OAHLLOKOSA-N -1 0 369.447 -0.356 20 0 FBADRM CN(C)C(=O)CCN1CC[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278799155 846269011 /nfs/dbraw/zinc/26/90/11/846269011.db2.gz CDDDUCJGSIBINC-HNNXBMFYSA-N -1 0 369.447 -0.499 20 0 FBADRM CN(C)C(=O)CCN1CC[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278799156 846269814 /nfs/dbraw/zinc/26/98/14/846269814.db2.gz CDDDUCJGSIBINC-OAHLLOKOSA-N -1 0 369.447 -0.499 20 0 FBADRM Cn1cnnc1CN1C(=O)CC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ncc[n-]1 ZINC001278799159 846269163 /nfs/dbraw/zinc/26/91/63/846269163.db2.gz CHMHSKZEKKHIIJ-GHMZBOCLSA-N -1 0 365.419 -0.508 20 0 FBADRM COC(CN1C[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)OCC1=O)OC ZINC001278799169 846269054 /nfs/dbraw/zinc/26/90/54/846269054.db2.gz CPXUGGNRYNRGJP-AWEZNQCLSA-N -1 0 374.419 -0.979 20 0 FBADRM COC(CN1C[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)OCC1=O)OC ZINC001278799170 846269291 /nfs/dbraw/zinc/26/92/91/846269291.db2.gz CPXUGGNRYNRGJP-CQSZACIVSA-N -1 0 374.419 -0.979 20 0 FBADRM COCCOCN1C[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)OCC1=O ZINC001278799174 846269515 /nfs/dbraw/zinc/26/95/15/846269515.db2.gz CSALDXMONGYJNF-AWEZNQCLSA-N -1 0 374.419 -0.978 20 0 FBADRM COCCOCN1C[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)OCC1=O ZINC001278799175 846269721 /nfs/dbraw/zinc/26/97/21/846269721.db2.gz CSALDXMONGYJNF-CQSZACIVSA-N -1 0 374.419 -0.978 20 0 FBADRM CCOCCN1C[C@]2(CC1=O)COCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001278799180 846271004 /nfs/dbraw/zinc/27/10/04/846271004.db2.gz CUKRCJFSYMRATR-HNNXBMFYSA-N -1 0 372.447 -0.314 20 0 FBADRM CCOCCN1C[C@@]2(CC1=O)COCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001278799181 846270785 /nfs/dbraw/zinc/27/07/85/846270785.db2.gz CUKRCJFSYMRATR-OAHLLOKOSA-N -1 0 372.447 -0.314 20 0 FBADRM CC(=O)[C@H](C)N1C[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)OCC1=O ZINC001278799186 846270413 /nfs/dbraw/zinc/27/04/13/846270413.db2.gz CWMHMUQBSOLWEI-HZMBPMFUSA-N -1 0 356.404 -0.621 20 0 FBADRM CC(=O)[C@H](C)N1C[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)OCC1=O ZINC001278799187 846271293 /nfs/dbraw/zinc/27/12/93/846271293.db2.gz CWMHMUQBSOLWEI-IINYFYTJSA-N -1 0 356.404 -0.621 20 0 FBADRM CC(=O)[C@@H](C)N1C[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)OCC1=O ZINC001278799188 846270705 /nfs/dbraw/zinc/27/07/05/846270705.db2.gz CWMHMUQBSOLWEI-QMTHXVAHSA-N -1 0 356.404 -0.621 20 0 FBADRM CC(=O)[C@@H](C)N1C[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)OCC1=O ZINC001278799189 846271172 /nfs/dbraw/zinc/27/11/72/846271172.db2.gz CWMHMUQBSOLWEI-YGRLFVJLSA-N -1 0 356.404 -0.621 20 0 FBADRM COC(=O)[C@@H](C)CN1CC[C@@]2(CCCN2S(=O)(=O)c2ncc[n-]2)C1=O ZINC001278799198 846270872 /nfs/dbraw/zinc/27/08/72/846270872.db2.gz DDDHAYGCGFWVAZ-NHYWBVRUSA-N -1 0 370.431 -0.026 20 0 FBADRM COC(=O)[C@@H](C)CN1CC[C@]2(CCCN2S(=O)(=O)c2ncc[n-]2)C1=O ZINC001278799199 846270920 /nfs/dbraw/zinc/27/09/20/846270920.db2.gz DDDHAYGCGFWVAZ-XHDPSFHLSA-N -1 0 370.431 -0.026 20 0 FBADRM COC(CN1CC[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O)OC ZINC001278799202 846270140 /nfs/dbraw/zinc/27/01/40/846270140.db2.gz DFMSYOICLTZEHE-AWEZNQCLSA-N -1 0 358.420 -0.358 20 0 FBADRM COC(CN1CC[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O)OC ZINC001278799203 846270726 /nfs/dbraw/zinc/27/07/26/846270726.db2.gz DFMSYOICLTZEHE-CQSZACIVSA-N -1 0 358.420 -0.358 20 0 FBADRM CCNC(=O)CN1CC[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278799210 846270632 /nfs/dbraw/zinc/27/06/32/846270632.db2.gz DMBUDPFZYHIZTP-AWEZNQCLSA-N -1 0 355.420 -0.841 20 0 FBADRM CCNC(=O)CN1CC[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278799211 846270552 /nfs/dbraw/zinc/27/05/52/846270552.db2.gz DMBUDPFZYHIZTP-CQSZACIVSA-N -1 0 355.420 -0.841 20 0 FBADRM COCCCN1C[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)OCC1=O ZINC001278799228 846270505 /nfs/dbraw/zinc/27/05/05/846270505.db2.gz DXYHKAAFXBHDEC-AWEZNQCLSA-N -1 0 358.420 -0.562 20 0 FBADRM COCCCN1C[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)OCC1=O ZINC001278799229 846270207 /nfs/dbraw/zinc/27/02/07/846270207.db2.gz DXYHKAAFXBHDEC-CQSZACIVSA-N -1 0 358.420 -0.562 20 0 FBADRM COCCOCN1CC[C@@]2(CCCN2S(=O)(=O)c2ncc[n-]2)C1=O ZINC001278799235 846270834 /nfs/dbraw/zinc/27/08/34/846270834.db2.gz FHOTXUBVOVVENM-AWEZNQCLSA-N -1 0 358.420 -0.214 20 0 FBADRM COCCOCN1CC[C@]2(CCCN2S(=O)(=O)c2ncc[n-]2)C1=O ZINC001278799236 846270438 /nfs/dbraw/zinc/27/04/38/846270438.db2.gz FHOTXUBVOVVENM-CQSZACIVSA-N -1 0 358.420 -0.214 20 0 FBADRM CC(=O)[C@@H](C)N1C(=O)C[C@]2(CCCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278799239 846270908 /nfs/dbraw/zinc/27/09/08/846270908.db2.gz FIYJSJVUJMATDI-BMIGLBTASA-N -1 0 368.415 -0.083 20 0 FBADRM CC(=O)[C@H](C)N1C(=O)C[C@]2(CCCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278799240 846270271 /nfs/dbraw/zinc/27/02/71/846270271.db2.gz FIYJSJVUJMATDI-BONVTDFDSA-N -1 0 368.415 -0.083 20 0 FBADRM CC(=O)[C@@H](C)N1C(=O)C[C@@]2(CCCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278799241 846271086 /nfs/dbraw/zinc/27/10/86/846271086.db2.gz FIYJSJVUJMATDI-MEBBXXQBSA-N -1 0 368.415 -0.083 20 0 FBADRM CC(=O)[C@H](C)N1C(=O)C[C@@]2(CCCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278799242 846270960 /nfs/dbraw/zinc/27/09/60/846270960.db2.gz FIYJSJVUJMATDI-ZUZCIYMTSA-N -1 0 368.415 -0.083 20 0 FBADRM COCCCN1C(=O)C[C@]2(CCCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278799263 846271159 /nfs/dbraw/zinc/27/11/59/846271159.db2.gz FZXCGPIGEPBQAT-HNNXBMFYSA-N -1 0 370.431 -0.024 20 0 FBADRM COCCCN1C(=O)C[C@@]2(CCCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278799264 846270354 /nfs/dbraw/zinc/27/03/54/846270354.db2.gz FZXCGPIGEPBQAT-OAHLLOKOSA-N -1 0 370.431 -0.024 20 0 FBADRM CCNC(=O)CNC(=O)[C@H]1CC12CCN(S(=O)(=O)c1ncc[n-]1)CC2 ZINC001278799265 846271255 /nfs/dbraw/zinc/27/12/55/846271255.db2.gz GBBQIHPHGZHUOC-LLVKDONJSA-N -1 0 369.447 -0.547 20 0 FBADRM CCNC(=O)CNC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1ncc[n-]1)CC2 ZINC001278799266 846270972 /nfs/dbraw/zinc/27/09/72/846270972.db2.gz GBBQIHPHGZHUOC-NSHDSACASA-N -1 0 369.447 -0.547 20 0 FBADRM O=C1C[C@]2(CCCN(S(=O)(=O)c3ncc[n-]3)C2)C(=O)N1C1COC1 ZINC001278799268 846271216 /nfs/dbraw/zinc/27/12/16/846271216.db2.gz GDBOPUYYZIVAHC-AWEZNQCLSA-N -1 0 354.388 -0.662 20 0 FBADRM O=C1C[C@@]2(CCCN(S(=O)(=O)c3ncc[n-]3)C2)C(=O)N1C1COC1 ZINC001278799269 846270766 /nfs/dbraw/zinc/27/07/66/846270766.db2.gz GDBOPUYYZIVAHC-CQSZACIVSA-N -1 0 354.388 -0.662 20 0 FBADRM CCNC(=O)CN1C[C@@]2(CC1=O)CCCCN2S(=O)(=O)c1ncc[n-]1 ZINC001278799274 846270458 /nfs/dbraw/zinc/27/04/58/846270458.db2.gz GGFHUPKFDXGKPV-HNNXBMFYSA-N -1 0 369.447 -0.309 20 0 FBADRM CCNC(=O)CN1C[C@]2(CC1=O)CCCCN2S(=O)(=O)c1ncc[n-]1 ZINC001278799275 846271187 /nfs/dbraw/zinc/27/11/87/846271187.db2.gz GGFHUPKFDXGKPV-OAHLLOKOSA-N -1 0 369.447 -0.309 20 0 FBADRM CC(C)(C)C(=O)CN1C(=O)COCC12CN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001278799276 846271242 /nfs/dbraw/zinc/27/12/42/846271242.db2.gz GGLNUAJLUXKTFE-UHFFFAOYSA-N -1 0 370.431 -0.373 20 0 FBADRM O=C1C[C@]2(CN1C1COC1)COCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001278799279 846270935 /nfs/dbraw/zinc/27/09/35/846270935.db2.gz GIRCCEHKAQJICY-AWEZNQCLSA-N -1 0 356.404 -0.952 20 0 FBADRM O=C1C[C@@]2(CN1C1COC1)COCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001278799280 846270527 /nfs/dbraw/zinc/27/05/27/846270527.db2.gz GIRCCEHKAQJICY-CQSZACIVSA-N -1 0 356.404 -0.952 20 0 FBADRM CCOC(=O)[C@@H](C)N1CC[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278799305 846271129 /nfs/dbraw/zinc/27/11/29/846271129.db2.gz GYIDXGSKXHVRFY-ABAIWWIYSA-N -1 0 370.431 -0.026 20 0 FBADRM CCOC(=O)[C@@H](C)N1CC[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278799306 846270395 /nfs/dbraw/zinc/27/03/95/846270395.db2.gz GYIDXGSKXHVRFY-IAQYHMDHSA-N -1 0 370.431 -0.026 20 0 FBADRM CCOC(=O)[C@H](C)N1CC[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278799307 846271229 /nfs/dbraw/zinc/27/12/29/846271229.db2.gz GYIDXGSKXHVRFY-NHYWBVRUSA-N -1 0 370.431 -0.026 20 0 FBADRM CCOC(=O)[C@H](C)N1CC[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278799308 846270854 /nfs/dbraw/zinc/27/08/54/846270854.db2.gz GYIDXGSKXHVRFY-XHDPSFHLSA-N -1 0 370.431 -0.026 20 0 FBADRM CCNC(=O)CN1C(=O)CC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ncc[n-]1 ZINC001278799329 846271120 /nfs/dbraw/zinc/27/11/20/846271120.db2.gz HKEUNHKPNAZZMD-GHMZBOCLSA-N -1 0 355.420 -0.700 20 0 FBADRM O=C1N(CC(F)F)C[C@@]2(F)CN(S(=O)(=O)c3ncc[n-]3)C[C@@]12F ZINC001278799336 846270371 /nfs/dbraw/zinc/27/03/71/846270371.db2.gz HQHYGUMFYHNSBK-GHMZBOCLSA-N -1 0 356.301 -0.062 20 0 FBADRM COC(CNC(=O)[C@H]1CC12CCN(S(=O)(=O)c1ncc[n-]1)CC2)OC ZINC001278799339 846270608 /nfs/dbraw/zinc/27/06/08/846270608.db2.gz HSTQKLYOPAOFLF-LLVKDONJSA-N -1 0 372.447 -0.064 20 0 FBADRM COC(CNC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1ncc[n-]1)CC2)OC ZINC001278799340 846270286 /nfs/dbraw/zinc/27/02/86/846270286.db2.gz HSTQKLYOPAOFLF-NSHDSACASA-N -1 0 372.447 -0.064 20 0 FBADRM O=C1COC2(CN(S(=O)(=O)c3ncc[n-]3)C2)CN1CC1CCOCC1 ZINC001278799342 846271203 /nfs/dbraw/zinc/27/12/03/846271203.db2.gz HUOYMJQTLUKNSN-UHFFFAOYSA-N -1 0 370.431 -0.562 20 0 FBADRM O=C1C[C@]2(CN1CC(F)F)COCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001278799343 846270180 /nfs/dbraw/zinc/27/01/80/846270180.db2.gz HYCJINMJJAGYQB-CYBMUJFWSA-N -1 0 364.374 -0.086 20 0 FBADRM O=C1C[C@@]2(CN1CC(F)F)COCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001278799344 846270887 /nfs/dbraw/zinc/27/08/87/846270887.db2.gz HYCJINMJJAGYQB-ZDUSSCGKSA-N -1 0 364.374 -0.086 20 0 FBADRM O=C1CC[C@H](CN2C(=O)CC[C@@H]3[C@H]2CCN3S(=O)(=O)c2ncc[n-]2)N1 ZINC001278799346 846270745 /nfs/dbraw/zinc/27/07/45/846270745.db2.gz IBCIISVOIIDGAR-IJLUTSLNSA-N -1 0 367.431 -0.558 20 0 FBADRM O=C1CC[C@@H](CN2C(=O)CC[C@@H]3[C@H]2CCN3S(=O)(=O)c2ncc[n-]2)N1 ZINC001278799347 846270985 /nfs/dbraw/zinc/27/09/85/846270985.db2.gz IBCIISVOIIDGAR-QJPTWQEYSA-N -1 0 367.431 -0.558 20 0 FBADRM O=C1COC2(CN(S(=O)(=O)c3ncc[n-]3)C2)CN1Cc1cnoc1 ZINC001278799352 846270581 /nfs/dbraw/zinc/27/05/81/846270581.db2.gz IDERHIIQTSXNIF-UHFFFAOYSA-N -1 0 353.360 -0.800 20 0 FBADRM CNC(=O)C(C)(C)N1CC[C@@]2(CCCN2S(=O)(=O)c2ncc[n-]2)C1=O ZINC001278799354 846270232 /nfs/dbraw/zinc/27/02/32/846270232.db2.gz IEUJKGVYDUEHGM-HNNXBMFYSA-N -1 0 369.447 -0.310 20 0 FBADRM CNC(=O)C(C)(C)N1CC[C@]2(CCCN2S(=O)(=O)c2ncc[n-]2)C1=O ZINC001278799355 846270306 /nfs/dbraw/zinc/27/03/06/846270306.db2.gz IEUJKGVYDUEHGM-OAHLLOKOSA-N -1 0 369.447 -0.310 20 0 FBADRM O=C1COC2(CN(S(=O)(=O)c3ncc[n-]3)C2)CN1CC(F)(F)F ZINC001278799366 846271273 /nfs/dbraw/zinc/27/12/73/846271273.db2.gz IRSQQJABCDDYSE-UHFFFAOYSA-N -1 0 354.310 -0.426 20 0 FBADRM COCCOCNC(=O)[C@H]1CC12CCN(S(=O)(=O)c1ncc[n-]1)CC2 ZINC001278799378 846271104 /nfs/dbraw/zinc/27/11/04/846271104.db2.gz JCMPIPGTRLZXDG-GFCCVEGCSA-N -1 0 372.447 -0.063 20 0 FBADRM COCCOCNC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1ncc[n-]1)CC2 ZINC001278799379 846270946 /nfs/dbraw/zinc/27/09/46/846270946.db2.gz JCMPIPGTRLZXDG-LBPRGKRZSA-N -1 0 372.447 -0.063 20 0 FBADRM COC(CN1CC[C@@]2(CCCN2S(=O)(=O)c2ncc[n-]2)C1=O)OC ZINC001278799586 846271309 /nfs/dbraw/zinc/27/13/09/846271309.db2.gz JFJHRMCECPLSQY-AWEZNQCLSA-N -1 0 358.420 -0.216 20 0 FBADRM COC(CN1CC[C@]2(CCCN2S(=O)(=O)c2ncc[n-]2)C1=O)OC ZINC001278799587 846270684 /nfs/dbraw/zinc/27/06/84/846270684.db2.gz JFJHRMCECPLSQY-CQSZACIVSA-N -1 0 358.420 -0.216 20 0 FBADRM O=C1N(CCn2ccnc2)CC[C@@]12CCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001278799608 846270806 /nfs/dbraw/zinc/27/08/06/846270806.db2.gz JTGDBMNHBVUGGI-HNNXBMFYSA-N -1 0 364.431 -0.081 20 0 FBADRM O=C1N(CCn2ccnc2)CC[C@]12CCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001278799609 846271060 /nfs/dbraw/zinc/27/10/60/846271060.db2.gz JTGDBMNHBVUGGI-OAHLLOKOSA-N -1 0 364.431 -0.081 20 0 FBADRM CC[C@H](C(N)=O)N1C(=O)CC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ncc[n-]1 ZINC001278799635 846270329 /nfs/dbraw/zinc/27/03/29/846270329.db2.gz KNWLVKBQVXEUKS-GMTAPVOTSA-N -1 0 355.420 -0.572 20 0 FBADRM CC[C@@H](C(N)=O)N1C(=O)CC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ncc[n-]1 ZINC001278799638 846271143 /nfs/dbraw/zinc/27/11/43/846271143.db2.gz KNWLVKBQVXEUKS-HBNTYKKESA-N -1 0 355.420 -0.572 20 0 FBADRM O=C1COCC2(CN(S(=O)(=O)c3ncc[n-]3)C2)N1Cc1cnoc1 ZINC001278799678 846272135 /nfs/dbraw/zinc/27/21/35/846272135.db2.gz LAASYIBWHJGAQM-UHFFFAOYSA-N -1 0 353.360 -0.800 20 0 FBADRM O=C1COC2(CN(S(=O)(=O)c3ncc[n-]3)C2)CN1CCC(F)(F)F ZINC001278799954 846272059 /nfs/dbraw/zinc/27/20/59/846272059.db2.gz LVRFWEDKICDMIO-UHFFFAOYSA-N -1 0 368.337 -0.036 20 0 FBADRM CC(C)(C)C(=O)CN1CC2(CN(S(=O)(=O)c3ncc[n-]3)C2)OCC1=O ZINC001278800025 846272644 /nfs/dbraw/zinc/27/26/44/846272644.db2.gz MXBZZCPDBUZBNJ-UHFFFAOYSA-N -1 0 370.431 -0.373 20 0 FBADRM CC[C@@H](C(N)=O)N1CC[C@@]2(CCCN2S(=O)(=O)c2ncc[n-]2)C1=O ZINC001278800074 846272098 /nfs/dbraw/zinc/27/20/98/846272098.db2.gz NFMSAYNGJMELDT-HZMBPMFUSA-N -1 0 355.420 -0.571 20 0 FBADRM CC[C@@H](C(N)=O)N1CC[C@]2(CCCN2S(=O)(=O)c2ncc[n-]2)C1=O ZINC001278800075 846272251 /nfs/dbraw/zinc/27/22/51/846272251.db2.gz NFMSAYNGJMELDT-IINYFYTJSA-N -1 0 355.420 -0.571 20 0 FBADRM CC[C@H](C(N)=O)N1CC[C@]2(CCCN2S(=O)(=O)c2ncc[n-]2)C1=O ZINC001278800077 846272559 /nfs/dbraw/zinc/27/25/59/846272559.db2.gz NFMSAYNGJMELDT-QMTHXVAHSA-N -1 0 355.420 -0.571 20 0 FBADRM CC[C@H](C(N)=O)N1CC[C@@]2(CCCN2S(=O)(=O)c2ncc[n-]2)C1=O ZINC001278800078 846271639 /nfs/dbraw/zinc/27/16/39/846271639.db2.gz NFMSAYNGJMELDT-YGRLFVJLSA-N -1 0 355.420 -0.571 20 0 FBADRM CCOC(=O)[C@H]1CN(C)C(=O)C12CCN(S(=O)(=O)c1ncc[n-]1)CC2 ZINC001278800105 846272410 /nfs/dbraw/zinc/27/24/10/846272410.db2.gz NSHBAMSPEFNFOV-LLVKDONJSA-N -1 0 370.431 -0.168 20 0 FBADRM CCOC(=O)[C@@H]1CN(C)C(=O)C12CCN(S(=O)(=O)c1ncc[n-]1)CC2 ZINC001278800106 846272529 /nfs/dbraw/zinc/27/25/29/846272529.db2.gz NSHBAMSPEFNFOV-NSHDSACASA-N -1 0 370.431 -0.168 20 0 FBADRM O=C1CC[C@H](CN2CC[C@@]3(CCN(S(=O)(=O)c4ncc[n-]4)C3)C2=O)N1 ZINC001278800126 846272808 /nfs/dbraw/zinc/27/28/08/846272808.db2.gz NXLLXEHCELZIQQ-ABAIWWIYSA-N -1 0 367.431 -0.699 20 0 FBADRM O=C1CC[C@H](CN2CC[C@]3(CCN(S(=O)(=O)c4ncc[n-]4)C3)C2=O)N1 ZINC001278800127 846271782 /nfs/dbraw/zinc/27/17/82/846271782.db2.gz NXLLXEHCELZIQQ-IAQYHMDHSA-N -1 0 367.431 -0.699 20 0 FBADRM O=C1CC[C@@H](CN2CC[C@@]3(CCN(S(=O)(=O)c4ncc[n-]4)C3)C2=O)N1 ZINC001278800128 846272305 /nfs/dbraw/zinc/27/23/05/846272305.db2.gz NXLLXEHCELZIQQ-NHYWBVRUSA-N -1 0 367.431 -0.699 20 0 FBADRM O=C1CC[C@@H](CN2CC[C@]3(CCN(S(=O)(=O)c4ncc[n-]4)C3)C2=O)N1 ZINC001278800130 846271916 /nfs/dbraw/zinc/27/19/16/846271916.db2.gz NXLLXEHCELZIQQ-XHDPSFHLSA-N -1 0 367.431 -0.699 20 0 FBADRM CCOCCN1C[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)OCC1=O ZINC001278800489 846272673 /nfs/dbraw/zinc/27/26/73/846272673.db2.gz OLVAPCHNEZJJSF-AWEZNQCLSA-N -1 0 358.420 -0.562 20 0 FBADRM CCOCCN1C[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)OCC1=O ZINC001278800490 846271940 /nfs/dbraw/zinc/27/19/40/846271940.db2.gz OLVAPCHNEZJJSF-CQSZACIVSA-N -1 0 358.420 -0.562 20 0 FBADRM O=C1CC[C@H](CN2CC[C@@]3(CCCN3S(=O)(=O)c3ncc[n-]3)C2=O)N1 ZINC001278800491 846271967 /nfs/dbraw/zinc/27/19/67/846271967.db2.gz ONMZCTSULQVBMO-ABAIWWIYSA-N -1 0 367.431 -0.556 20 0 FBADRM O=C1CC[C@H](CN2CC[C@]3(CCCN3S(=O)(=O)c3ncc[n-]3)C2=O)N1 ZINC001278800492 846271984 /nfs/dbraw/zinc/27/19/84/846271984.db2.gz ONMZCTSULQVBMO-IAQYHMDHSA-N -1 0 367.431 -0.556 20 0 FBADRM O=C1CC[C@@H](CN2CC[C@@]3(CCCN3S(=O)(=O)c3ncc[n-]3)C2=O)N1 ZINC001278800493 846271804 /nfs/dbraw/zinc/27/18/04/846271804.db2.gz ONMZCTSULQVBMO-NHYWBVRUSA-N -1 0 367.431 -0.556 20 0 FBADRM O=C1CC[C@@H](CN2CC[C@]3(CCCN3S(=O)(=O)c3ncc[n-]3)C2=O)N1 ZINC001278800494 846272393 /nfs/dbraw/zinc/27/23/93/846272393.db2.gz ONMZCTSULQVBMO-XHDPSFHLSA-N -1 0 367.431 -0.556 20 0 FBADRM O=C1COCC2(CN(S(=O)(=O)c3ncc[n-]3)C2)N1Cc1ncccn1 ZINC001278800495 846272777 /nfs/dbraw/zinc/27/27/77/846272777.db2.gz OPDFSFXYAAJZRC-UHFFFAOYSA-N -1 0 364.387 -0.998 20 0 FBADRM CCNC(=O)CN1CCC2(CCN(S(=O)(=O)c3ncc[n-]3)CC2)C1=O ZINC001278800525 846271615 /nfs/dbraw/zinc/27/16/15/846271615.db2.gz PGJIOGIAKGGZJV-UHFFFAOYSA-N -1 0 369.447 -0.451 20 0 FBADRM CNC(=O)C(C)(C)N1CC[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278800535 846272602 /nfs/dbraw/zinc/27/26/02/846272602.db2.gz PKKVWFOMEBVHJS-HNNXBMFYSA-N -1 0 369.447 -0.453 20 0 FBADRM CNC(=O)C(C)(C)N1CC[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278800536 846272834 /nfs/dbraw/zinc/27/28/34/846272834.db2.gz PKKVWFOMEBVHJS-OAHLLOKOSA-N -1 0 369.447 -0.453 20 0 FBADRM O=C1CO[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)CN1CC(F)(F)F ZINC001278800537 846272110 /nfs/dbraw/zinc/27/21/10/846272110.db2.gz PMSIVYRVZNWIPN-LLVKDONJSA-N -1 0 368.337 -0.036 20 0 FBADRM O=C1CO[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)CN1CC(F)(F)F ZINC001278800538 846272164 /nfs/dbraw/zinc/27/21/64/846272164.db2.gz PMSIVYRVZNWIPN-NSHDSACASA-N -1 0 368.337 -0.036 20 0 FBADRM Cn1cnnc1CN1CC[C@@]2(CCCN2S(=O)(=O)c2ncc[n-]2)C1=O ZINC001278800557 846271759 /nfs/dbraw/zinc/27/17/59/846271759.db2.gz PXYPXYVVIAZAJD-AWEZNQCLSA-N -1 0 365.419 -0.506 20 0 FBADRM Cn1cnnc1CN1CC[C@]2(CCCN2S(=O)(=O)c2ncc[n-]2)C1=O ZINC001278800558 846271844 /nfs/dbraw/zinc/27/18/44/846271844.db2.gz PXYPXYVVIAZAJD-CQSZACIVSA-N -1 0 365.419 -0.506 20 0 FBADRM Cc1noc(CN2CC[C@@]3(CCN(S(=O)(=O)c4ncc[n-]4)C3)C2=O)n1 ZINC001278800563 846271894 /nfs/dbraw/zinc/27/18/94/846271894.db2.gz PZVNVCGKHDWJOF-AWEZNQCLSA-N -1 0 366.403 -0.086 20 0 FBADRM Cc1noc(CN2CC[C@]3(CCN(S(=O)(=O)c4ncc[n-]4)C3)C2=O)n1 ZINC001278800564 846272287 /nfs/dbraw/zinc/27/22/87/846272287.db2.gz PZVNVCGKHDWJOF-CQSZACIVSA-N -1 0 366.403 -0.086 20 0 FBADRM COC(C)(C)CN1C(=O)COCC12CN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001278800572 846272371 /nfs/dbraw/zinc/27/23/71/846272371.db2.gz QENZPWQTTSSWPU-UHFFFAOYSA-N -1 0 358.420 -0.563 20 0 FBADRM CC(=O)[C@H](C)N1C[C@@]2(F)CN(S(=O)(=O)c3ncc[n-]3)C[C@@]2(F)C1=O ZINC001278800884 846272080 /nfs/dbraw/zinc/27/20/80/846272080.db2.gz QMDKYSMXWDQFQN-AQUOVQTQSA-N -1 0 362.358 -0.350 20 0 FBADRM CC(=O)[C@@H](C)N1C[C@@]2(F)CN(S(=O)(=O)c3ncc[n-]3)C[C@@]2(F)C1=O ZINC001278800885 846271870 /nfs/dbraw/zinc/27/18/70/846271870.db2.gz QMDKYSMXWDQFQN-OXHMUOHRSA-N -1 0 362.358 -0.350 20 0 FBADRM O=C1CO[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)CN1CC(F)F ZINC001278800923 846272187 /nfs/dbraw/zinc/27/21/87/846272187.db2.gz RHDNLAULUNXTCO-GFCCVEGCSA-N -1 0 350.347 -0.333 20 0 FBADRM O=C1CO[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)CN1CC(F)F ZINC001278800924 846271684 /nfs/dbraw/zinc/27/16/84/846271684.db2.gz RHDNLAULUNXTCO-LBPRGKRZSA-N -1 0 350.347 -0.333 20 0 FBADRM O=C1COCC2(CN(S(=O)(=O)c3ncc[n-]3)C2)N1Cc1ccncc1 ZINC001278800938 846271996 /nfs/dbraw/zinc/27/19/96/846271996.db2.gz RSDMZUDNJQQHLR-UHFFFAOYSA-N -1 0 363.399 -0.393 20 0 FBADRM CCOCCN1C(=O)C[C@]2(CCCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278800966 846272015 /nfs/dbraw/zinc/27/20/15/846272015.db2.gz SQEQJBHZGWIKDI-HNNXBMFYSA-N -1 0 370.431 -0.024 20 0 FBADRM CCOCCN1C(=O)C[C@@]2(CCCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278800967 846272475 /nfs/dbraw/zinc/27/24/75/846272475.db2.gz SQEQJBHZGWIKDI-OAHLLOKOSA-N -1 0 370.431 -0.024 20 0 FBADRM COC(CN1C(=O)CC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ncc[n-]1)OC ZINC001278800977 846272503 /nfs/dbraw/zinc/27/25/03/846272503.db2.gz TUBDUYIOEXSMPJ-GHMZBOCLSA-N -1 0 358.420 -0.217 20 0 FBADRM COC(C)(C)CN1C[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)OCC1=O ZINC001278800978 846272208 /nfs/dbraw/zinc/27/22/08/846272208.db2.gz TUDCCSLWYBOZDC-HNNXBMFYSA-N -1 0 372.447 -0.173 20 0 FBADRM COC(C)(C)CN1C[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)OCC1=O ZINC001278800979 846271708 /nfs/dbraw/zinc/27/17/08/846271708.db2.gz TUDCCSLWYBOZDC-OAHLLOKOSA-N -1 0 372.447 -0.173 20 0 FBADRM CC[C@@H](C(N)=O)N1CC[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278801284 846273514 /nfs/dbraw/zinc/27/35/14/846273514.db2.gz TZNLEUORMDGBIL-HZMBPMFUSA-N -1 0 355.420 -0.713 20 0 FBADRM CC[C@@H](C(N)=O)N1CC[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278801285 846273877 /nfs/dbraw/zinc/27/38/77/846273877.db2.gz TZNLEUORMDGBIL-IINYFYTJSA-N -1 0 355.420 -0.713 20 0 FBADRM CC[C@H](C(N)=O)N1CC[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278801286 846274097 /nfs/dbraw/zinc/27/40/97/846274097.db2.gz TZNLEUORMDGBIL-QMTHXVAHSA-N -1 0 355.420 -0.713 20 0 FBADRM CC[C@H](C(N)=O)N1CC[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278801287 846274063 /nfs/dbraw/zinc/27/40/63/846274063.db2.gz TZNLEUORMDGBIL-YGRLFVJLSA-N -1 0 355.420 -0.713 20 0 FBADRM CCNC(=O)CN1CC[C@@]2(CCCN2S(=O)(=O)c2ncc[n-]2)C1=O ZINC001278801298 846273183 /nfs/dbraw/zinc/27/31/83/846273183.db2.gz UEVUNQVPLSKAEM-AWEZNQCLSA-N -1 0 355.420 -0.699 20 0 FBADRM CCNC(=O)CN1CC[C@]2(CCCN2S(=O)(=O)c2ncc[n-]2)C1=O ZINC001278801299 846273141 /nfs/dbraw/zinc/27/31/41/846273141.db2.gz UEVUNQVPLSKAEM-CQSZACIVSA-N -1 0 355.420 -0.699 20 0 FBADRM Cn1cnnc1CN1CC[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278801311 846273612 /nfs/dbraw/zinc/27/36/12/846273612.db2.gz ULHDGZOUSITXKB-AWEZNQCLSA-N -1 0 365.419 -0.649 20 0 FBADRM Cn1cnnc1CN1CC[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278801312 846273793 /nfs/dbraw/zinc/27/37/93/846273793.db2.gz ULHDGZOUSITXKB-CQSZACIVSA-N -1 0 365.419 -0.649 20 0 FBADRM O=C1COC2(CN(S(=O)(=O)c3ncc[n-]3)C2)CN1Cc1ccncc1 ZINC001278801327 846273586 /nfs/dbraw/zinc/27/35/86/846273586.db2.gz UVQIUKITZFSTPK-UHFFFAOYSA-N -1 0 363.399 -0.393 20 0 FBADRM O=C1COCC2(CN(S(=O)(=O)c3ncc[n-]3)C2)N1CCC(F)(F)F ZINC001278801343 846273960 /nfs/dbraw/zinc/27/39/60/846273960.db2.gz VEDUOZLVFGHSAN-UHFFFAOYSA-N -1 0 368.337 -0.036 20 0 FBADRM CN(C)C(=O)CCN1C(=O)CC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ncc[n-]1 ZINC001278801348 846273334 /nfs/dbraw/zinc/27/33/34/846273334.db2.gz VKXLSOWFWVMVSV-VXGBXAGGSA-N -1 0 369.447 -0.358 20 0 FBADRM CC[C@H](C(N)=O)N1C[C@@]2(CC1=O)CCCCN2S(=O)(=O)c1ncc[n-]1 ZINC001278801366 846273831 /nfs/dbraw/zinc/27/38/31/846273831.db2.gz VRNGELUSXJIEPL-ABAIWWIYSA-N -1 0 369.447 -0.181 20 0 FBADRM CC[C@H](C(N)=O)N1C[C@]2(CC1=O)CCCCN2S(=O)(=O)c1ncc[n-]1 ZINC001278801368 846273723 /nfs/dbraw/zinc/27/37/23/846273723.db2.gz VRNGELUSXJIEPL-IAQYHMDHSA-N -1 0 369.447 -0.181 20 0 FBADRM CC[C@@H](C(N)=O)N1C[C@@]2(CC1=O)CCCCN2S(=O)(=O)c1ncc[n-]1 ZINC001278801371 846273452 /nfs/dbraw/zinc/27/34/52/846273452.db2.gz VRNGELUSXJIEPL-NHYWBVRUSA-N -1 0 369.447 -0.181 20 0 FBADRM CC[C@@H](C(N)=O)N1C[C@]2(CC1=O)CCCCN2S(=O)(=O)c1ncc[n-]1 ZINC001278801373 846273689 /nfs/dbraw/zinc/27/36/89/846273689.db2.gz VRNGELUSXJIEPL-XHDPSFHLSA-N -1 0 369.447 -0.181 20 0 FBADRM Cn1cncc1CN1CC[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278801428 846274018 /nfs/dbraw/zinc/27/40/18/846274018.db2.gz WCLTUMRJRPNFLX-HNNXBMFYSA-N -1 0 364.431 -0.044 20 0 FBADRM Cn1cncc1CN1CC[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278801429 846273259 /nfs/dbraw/zinc/27/32/59/846273259.db2.gz WCLTUMRJRPNFLX-OAHLLOKOSA-N -1 0 364.431 -0.044 20 0 FBADRM COCCOCN1CC[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278801444 846273491 /nfs/dbraw/zinc/27/34/91/846273491.db2.gz WHHIOKWAHSZLJD-AWEZNQCLSA-N -1 0 358.420 -0.357 20 0 FBADRM COCCOCN1CC[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278801447 846273419 /nfs/dbraw/zinc/27/34/19/846273419.db2.gz WHHIOKWAHSZLJD-CQSZACIVSA-N -1 0 358.420 -0.357 20 0 FBADRM COCCOCN1C(=O)CC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ncc[n-]1 ZINC001278801470 846274002 /nfs/dbraw/zinc/27/40/02/846274002.db2.gz WJDZDFWSFPNFLU-VXGBXAGGSA-N -1 0 358.420 -0.216 20 0 FBADRM COC(=O)[C@@H](C)CN1CC[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278801509 846273240 /nfs/dbraw/zinc/27/32/40/846273240.db2.gz WOILGAPVWKQVBC-NHYWBVRUSA-N -1 0 370.431 -0.168 20 0 FBADRM COC(=O)[C@@H](C)CN1CC[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278801512 846273902 /nfs/dbraw/zinc/27/39/02/846273902.db2.gz WOILGAPVWKQVBC-XHDPSFHLSA-N -1 0 370.431 -0.168 20 0 FBADRM CCOCCN1C[C@@]2(F)CN(S(=O)(=O)c3ncc[n-]3)C[C@@]2(F)C1=O ZINC001278801786 846273670 /nfs/dbraw/zinc/27/36/70/846273670.db2.gz WTXCQPZUAXGDML-CHWSQXEVSA-N -1 0 364.374 -0.291 20 0 FBADRM O=C1COC2(CN(S(=O)(=O)c3ncc[n-]3)C2)CN1Cc1ncccn1 ZINC001278801787 846273817 /nfs/dbraw/zinc/27/38/17/846273817.db2.gz WWPWZAHAMTVTOE-UHFFFAOYSA-N -1 0 364.387 -0.998 20 0 FBADRM O=C1N(Cc2cnoc2)C[C@@]2(F)CN(S(=O)(=O)c3ncc[n-]3)C[C@@]12F ZINC001278801790 846273771 /nfs/dbraw/zinc/27/37/71/846273771.db2.gz XCIRPAWYXMXZGY-CHWSQXEVSA-N -1 0 373.341 -0.139 20 0 FBADRM COC(=O)[C@@H](C)CN1C(=O)CC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ncc[n-]1 ZINC001278801806 846273564 /nfs/dbraw/zinc/27/35/64/846273564.db2.gz XIUBDXLMRLGILP-QJPTWQEYSA-N -1 0 370.431 -0.027 20 0 FBADRM CC[C@@H](NC(=O)[C@H]1CC12CCN(S(=O)(=O)c1ncc[n-]1)CC2)C(N)=O ZINC001278801843 846273921 /nfs/dbraw/zinc/27/39/21/846273921.db2.gz YSUPROUSTMGGMV-GHMZBOCLSA-N -1 0 369.447 -0.419 20 0 FBADRM CC[C@H](NC(=O)[C@H]1CC12CCN(S(=O)(=O)c1ncc[n-]1)CC2)C(N)=O ZINC001278801845 846273975 /nfs/dbraw/zinc/27/39/75/846273975.db2.gz YSUPROUSTMGGMV-MNOVXSKESA-N -1 0 369.447 -0.419 20 0 FBADRM CC[C@H](NC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1ncc[n-]1)CC2)C(N)=O ZINC001278801847 846274047 /nfs/dbraw/zinc/27/40/47/846274047.db2.gz YSUPROUSTMGGMV-QWRGUYRKSA-N -1 0 369.447 -0.419 20 0 FBADRM CC[C@@H](NC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1ncc[n-]1)CC2)C(N)=O ZINC001278801848 846273218 /nfs/dbraw/zinc/27/32/18/846273218.db2.gz YSUPROUSTMGGMV-WDEREUQCSA-N -1 0 369.447 -0.419 20 0 FBADRM CC(C)OC(=O)CN1CC[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278801868 846274479 /nfs/dbraw/zinc/27/44/79/846274479.db2.gz ZHTXMFQGXBFGED-HNNXBMFYSA-N -1 0 370.431 -0.026 20 0 FBADRM CC(C)OC(=O)CN1CC[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)C1=O ZINC001278801870 846274777 /nfs/dbraw/zinc/27/47/77/846274777.db2.gz ZHTXMFQGXBFGED-OAHLLOKOSA-N -1 0 370.431 -0.026 20 0 FBADRM O=C1COCC2(CN(S(=O)(=O)c3ncc[n-]3)C2)N1CC1CCOCC1 ZINC001278801872 846274668 /nfs/dbraw/zinc/27/46/68/846274668.db2.gz ZIBOASVHEAFIIM-UHFFFAOYSA-N -1 0 370.431 -0.562 20 0 FBADRM COCCCN1C[C@@]2(F)CN(S(=O)(=O)c3ncc[n-]3)C[C@@]2(F)C1=O ZINC001278801880 846274643 /nfs/dbraw/zinc/27/46/43/846274643.db2.gz ZODGFGMHQFILJL-CHWSQXEVSA-N -1 0 364.374 -0.291 20 0 FBADRM COCCCN1C[C@]2(CC1=O)COCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001278801883 846274597 /nfs/dbraw/zinc/27/45/97/846274597.db2.gz ZTKBPCZIHZLIEE-HNNXBMFYSA-N -1 0 372.447 -0.314 20 0 FBADRM COCCCN1C[C@@]2(CC1=O)COCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001278801885 846274754 /nfs/dbraw/zinc/27/47/54/846274754.db2.gz ZTKBPCZIHZLIEE-OAHLLOKOSA-N -1 0 372.447 -0.314 20 0 FBADRM O=C1CO[C@@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)CN1Cc1cnoc1 ZINC001278801887 846274892 /nfs/dbraw/zinc/27/48/92/846274892.db2.gz ZWBHGDICUMJIDE-AWEZNQCLSA-N -1 0 367.387 -0.410 20 0 FBADRM O=C1CO[C@]2(CCN(S(=O)(=O)c3ncc[n-]3)C2)CN1Cc1cnoc1 ZINC001278801889 846274683 /nfs/dbraw/zinc/27/46/83/846274683.db2.gz ZWBHGDICUMJIDE-CQSZACIVSA-N -1 0 367.387 -0.410 20 0 FBADRM CN1CC2(CN(S(=O)(=O)c3ccc(CCC(=O)[O-])cc3)C2)OCC1=O ZINC001278822351 846280299 /nfs/dbraw/zinc/28/02/99/846280299.db2.gz HOULMGZJSJBRAH-UHFFFAOYSA-N -1 0 368.411 -0.065 20 0 FBADRM CN1C(=O)COCC12CN(S(=O)(=O)c1ccc(CCC(=O)[O-])cc1)C2 ZINC001278823051 846280700 /nfs/dbraw/zinc/28/07/00/846280700.db2.gz REDXGKJTBKJEIX-UHFFFAOYSA-N -1 0 368.411 -0.065 20 0 FBADRM CN1CC2(CN(S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)C2)OCC1=O ZINC001278834654 846286531 /nfs/dbraw/zinc/28/65/31/846286531.db2.gz PZOBWOVZZNACAA-UHFFFAOYSA-N -1 0 370.383 -0.618 20 0 FBADRM CN1C(=O)COCC12CN(S(=O)(=O)c1ccc(OCC(=O)[O-])cc1)C2 ZINC001278834856 846286494 /nfs/dbraw/zinc/28/64/94/846286494.db2.gz VEWNDDSCJWYMIA-UHFFFAOYSA-N -1 0 370.383 -0.618 20 0 FBADRM Cc1cscc1C(=O)N1C[C@@H]2C(C(=O)N=c3nn[n-]n3C)=NO[C@@H]2C1 ZINC001278870184 846309844 /nfs/dbraw/zinc/30/98/44/846309844.db2.gz RFFLPIUDGMGMFD-WCBMZHEXSA-N -1 0 361.387 -0.533 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)c1n[nH]cc1Cl)C2 ZINC001278874788 846315845 /nfs/dbraw/zinc/31/58/45/846315845.db2.gz QDIBKHYLFMLZBM-UHFFFAOYSA-N -1 0 362.741 -0.860 20 0 FBADRM Cn1[n-]nnc1=NC(=O)C1=NO[C@@H]2CN(C(=O)c3ccc(Cl)o3)C[C@H]12 ZINC001278887322 846320357 /nfs/dbraw/zinc/32/03/57/846320357.db2.gz YUKYOQKDAGKXDT-POYBYMJQSA-N -1 0 365.737 -0.656 20 0 FBADRM NC(=O)C1=NO[C@@H]2CN(C(=O)c3ccc(-n4nn[n-]c4=S)cc3)C[C@H]12 ZINC001278945097 846343552 /nfs/dbraw/zinc/34/35/52/846343552.db2.gz TUIGKBUIGDSXTO-VHSXEESVSA-N -1 0 359.371 -0.737 20 0 FBADRM NC(=O)c1[nH]nc2c1CN(C(=O)c1ccc(-n3nn[n-]c3=S)cc1)C2 ZINC001278945241 846343631 /nfs/dbraw/zinc/34/36/31/846343631.db2.gz VOEMWWNPVUIYDJ-UHFFFAOYSA-N -1 0 356.371 -0.071 20 0 FBADRM NC(=O)[C@H]1CCC2(CN(C(=O)c3ccc(-n4nn[n-]c4=S)cc3)C2)O1 ZINC001278945264 846343135 /nfs/dbraw/zinc/34/31/35/846343135.db2.gz WJRUEBHXOWZCIS-LLVKDONJSA-N -1 0 360.399 -0.190 20 0 FBADRM NC(=O)[C@@H]1CCC2(CN(C(=O)c3ccc(-n4nn[n-]c4=S)cc3)C2)O1 ZINC001278945265 846343027 /nfs/dbraw/zinc/34/30/27/846343027.db2.gz WJRUEBHXOWZCIS-NSHDSACASA-N -1 0 360.399 -0.190 20 0 FBADRM Cn1[n-]c(C(=O)N2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)NCC(F)F)cc1=O ZINC001278951962 846347593 /nfs/dbraw/zinc/34/75/93/846347593.db2.gz AHJQOGYTAXRJMX-DUCCMJIMSA-N -1 0 358.345 -0.139 20 0 FBADRM Cn1[n-]c(C(=O)N2CC3(C2)CC[C@H](C(=O)NCC2COC2)O3)cc1=O ZINC001278952061 846347221 /nfs/dbraw/zinc/34/72/21/846347221.db2.gz DLUJFMRNPQJZNR-GFCCVEGCSA-N -1 0 350.375 -0.738 20 0 FBADRM Cn1[n-]c(C(=O)N2CC3(C2)CC[C@@H](C(=O)NCC2COC2)O3)cc1=O ZINC001278952062 846347579 /nfs/dbraw/zinc/34/75/79/846347579.db2.gz DLUJFMRNPQJZNR-LBPRGKRZSA-N -1 0 350.375 -0.738 20 0 FBADRM Cn1[n-]c(C(=O)N2CCn3cc(C(=O)NCC(F)F)nc3C2)cc1=O ZINC001278952160 846347468 /nfs/dbraw/zinc/34/74/68/846347468.db2.gz IOJJOEVYAGZLPD-UHFFFAOYSA-N -1 0 354.317 -0.027 20 0 FBADRM Cn1[n-]c(C(=O)N2CC3(C2)SCC[C@@H]3C(=O)NCC2COC2)cc1=O ZINC001278952211 846347485 /nfs/dbraw/zinc/34/74/85/846347485.db2.gz KSJOPPDGFUTUNP-LLVKDONJSA-N -1 0 366.443 -0.164 20 0 FBADRM Cn1[n-]c(C(=O)N2CC3(C2)SCC[C@H]3C(=O)NCC2COC2)cc1=O ZINC001278952212 846347695 /nfs/dbraw/zinc/34/76/95/846347695.db2.gz KSJOPPDGFUTUNP-NSHDSACASA-N -1 0 366.443 -0.164 20 0 FBADRM Cn1[n-]c(C(=O)N2CCn3c(C(=O)NCC(F)F)cnc3C2)cc1=O ZINC001278952251 846347088 /nfs/dbraw/zinc/34/70/88/846347088.db2.gz MFSZPCQWPUQSPG-UHFFFAOYSA-N -1 0 354.317 -0.027 20 0 FBADRM Cn1[n-]c(C(=O)N2CCn3c(nnc3C(=O)NCC(F)F)C2)cc1=O ZINC001278952613 846347094 /nfs/dbraw/zinc/34/70/94/846347094.db2.gz ZQCRXLIFDWLPRA-UHFFFAOYSA-N -1 0 355.305 -0.632 20 0 FBADRM Cn1[n-]c(C(=O)N2CC3(C2)CCOC[C@@H]3C(=O)NCC(F)F)cc1=O ZINC001278952616 846347114 /nfs/dbraw/zinc/34/71/14/846347114.db2.gz ZSBLZEQYTDJDDH-SECBINFHSA-N -1 0 358.345 -0.014 20 0 FBADRM Cn1[n-]c(C(=O)N2CC3(C2)CCOC[C@H]3C(=O)NCC(F)F)cc1=O ZINC001278952617 846347934 /nfs/dbraw/zinc/34/79/34/846347934.db2.gz ZSBLZEQYTDJDDH-VIFPVBQESA-N -1 0 358.345 -0.014 20 0 FBADRM COCCN(C)C(=O)[C@H]1CCC2(CN(C(=O)c3cc(=O)n(C)[n-]3)C2)O1 ZINC001278952656 846348078 /nfs/dbraw/zinc/34/80/78/846348078.db2.gz BODQWPIHGJXOQQ-GFCCVEGCSA-N -1 0 352.391 -0.396 20 0 FBADRM COCCN(C)C(=O)[C@@H]1CCC2(CN(C(=O)c3cc(=O)n(C)[n-]3)C2)O1 ZINC001278952657 846348579 /nfs/dbraw/zinc/34/85/79/846348579.db2.gz BODQWPIHGJXOQQ-LBPRGKRZSA-N -1 0 352.391 -0.396 20 0 FBADRM COCCN(C)C(=O)C1=NO[C@@H]2CN(C(=O)c3cc(=O)n(C)[n-]3)C[C@H]12 ZINC001278952895 846348220 /nfs/dbraw/zinc/34/82/20/846348220.db2.gz LJZCNQIZGAEEQI-GXSJLCMTSA-N -1 0 351.363 -0.943 20 0 FBADRM Cc1ncc(C(=O)N2Cc3[nH]nc(C(=O)N=c4nn[n-]n4C)c3C2)s1 ZINC001278959507 846348567 /nfs/dbraw/zinc/34/85/67/846348567.db2.gz YJHVXOIJNXLZLE-UHFFFAOYSA-N -1 0 359.375 -0.472 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)c1cc(Cl)n[nH]1)C2 ZINC001279003860 846370755 /nfs/dbraw/zinc/37/07/55/846370755.db2.gz OIOBHDBSCWTHCR-UHFFFAOYSA-N -1 0 362.741 -0.860 20 0 FBADRM CSc1ncc([O-])c(C(=O)N2C[C@@H](C(N)=O)[C@H](c3cn(C)cn3)C2)n1 ZINC001279035364 846386664 /nfs/dbraw/zinc/38/66/64/846386664.db2.gz BSALLCHGNJMYOZ-RKDXNWHRSA-N -1 0 362.415 -0.021 20 0 FBADRM CSc1ncc([O-])c(C(=O)N2CCn3c(nnc3C(N)=O)C[C@H]2C)n1 ZINC001279035548 846386183 /nfs/dbraw/zinc/38/61/83/846386183.db2.gz FPCJZKAWPUZEFH-SSDOTTSWSA-N -1 0 363.403 -0.319 20 0 FBADRM CSc1ncc([O-])c(C(=O)N2CCn3c(nnc3C(N)=O)C[C@@H]2C)n1 ZINC001279035549 846386466 /nfs/dbraw/zinc/38/64/66/846386466.db2.gz FPCJZKAWPUZEFH-ZETCQYMHSA-N -1 0 363.403 -0.319 20 0 FBADRM CSc1ncc([O-])c(C(=O)N2CCn3c(nnc3C(=O)N(C)C)C2)n1 ZINC001279037301 846386553 /nfs/dbraw/zinc/38/65/53/846386553.db2.gz OPRPMWGNZUNJHX-UHFFFAOYSA-N -1 0 363.403 -0.147 20 0 FBADRM CSc1ncc([O-])c(C(=O)N2C[C@@H]3C(C(=O)N(C)C)=NO[C@@H]3C2)n1 ZINC001279037801 846386295 /nfs/dbraw/zinc/38/62/95/846386295.db2.gz VWTQKDJQOOJAEF-IONNQARKSA-N -1 0 351.388 -0.181 20 0 FBADRM NC(=O)C1=NO[C@@H]2CN(C(=O)c3nc(Br)ccc3[O-])C[C@H]12 ZINC001279060559 846393679 /nfs/dbraw/zinc/39/36/79/846393679.db2.gz AXLSSNROWXQUOZ-CAHLUQPWSA-N -1 0 355.148 -0.138 20 0 FBADRM NC(=O)c1nnc2n1CCN(C(=O)c1nc(Br)ccc1[O-])C2 ZINC001279060627 846394233 /nfs/dbraw/zinc/39/42/33/846394233.db2.gz CKAIACLQESNIRX-UHFFFAOYSA-N -1 0 367.163 -0.104 20 0 FBADRM CSc1ncc([O-])c(C(=O)N2CC3(CCN3S(=O)(=O)N(C)C)C2)n1 ZINC001279077001 846398013 /nfs/dbraw/zinc/39/80/13/846398013.db2.gz AFQZJGGWTNHMKZ-UHFFFAOYSA-N -1 0 373.460 -0.389 20 0 FBADRM CSc1ncc([O-])c(C(=O)N2CC3(CCN3CC(=O)N(C)C)C2)n1 ZINC001279077817 846397822 /nfs/dbraw/zinc/39/78/22/846397822.db2.gz NCWKDTJSLGKMBC-UHFFFAOYSA-N -1 0 351.432 -0.107 20 0 FBADRM CSc1ncc([O-])c(C(=O)N2CC3(C2)CN(S(=O)(=O)N(C)C)C3)n1 ZINC001279077847 846398026 /nfs/dbraw/zinc/39/80/26/846398026.db2.gz OHJUVSFJMGDZFH-UHFFFAOYSA-N -1 0 373.460 -0.532 20 0 FBADRM CSc1ncc([O-])c(C(=O)N2CC3(CN(CC(=O)N(C)C)C3)C2)n1 ZINC001279078232 846399544 /nfs/dbraw/zinc/39/95/44/846399544.db2.gz UIPUGJUXNYYXOT-UHFFFAOYSA-N -1 0 351.432 -0.250 20 0 FBADRM CN(C)C(=O)[C@H]1CN(C(=O)c2c[nH]c(=O)c(=O)[n-]2)C[C@H]2CCCO[C@H]21 ZINC001279138991 846871499 /nfs/dbraw/zinc/87/14/99/846871499.db2.gz DBDUJFTUPWOMHF-JFGNBEQYSA-N -1 0 350.375 -0.981 20 0 FBADRM CC(C)(C)NC(=O)[C@@H]1CCC2(CN(C(=O)c3c[nH]c(=O)c(=O)[n-]3)C2)O1 ZINC001279139223 846871242 /nfs/dbraw/zinc/87/12/42/846871242.db2.gz HEWAJISPTYDCAA-JTQLQIEISA-N -1 0 350.375 -0.649 20 0 FBADRM CC(C)(C)NC(=O)[C@H]1CCC2(CN(C(=O)c3c[nH]c(=O)c(=O)[n-]3)C2)O1 ZINC001279139224 846871474 /nfs/dbraw/zinc/87/14/74/846871474.db2.gz HEWAJISPTYDCAA-SNVBAGLBSA-N -1 0 350.375 -0.649 20 0 FBADRM CC(C)(C)NC(=O)[C@H]1CCSC12CN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)C2 ZINC001279140073 846871544 /nfs/dbraw/zinc/87/15/44/846871544.db2.gz SOVIWHBWKYFLIW-SECBINFHSA-N -1 0 366.443 -0.074 20 0 FBADRM CC(C)(C)NC(=O)[C@@H]1CCSC12CN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)C2 ZINC001279140074 846871318 /nfs/dbraw/zinc/87/13/18/846871318.db2.gz SOVIWHBWKYFLIW-VIFPVBQESA-N -1 0 366.443 -0.074 20 0 FBADRM O=C(NCC(F)F)[C@H]1CCSC12CN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)C2 ZINC001279140163 846871494 /nfs/dbraw/zinc/87/14/94/846871494.db2.gz UTEJVFVVGNZHOZ-SSDOTTSWSA-N -1 0 374.369 -0.608 20 0 FBADRM O=C(NCC(F)F)[C@@H]1CCSC12CN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)C2 ZINC001279140165 846871390 /nfs/dbraw/zinc/87/13/90/846871390.db2.gz UTEJVFVVGNZHOZ-ZETCQYMHSA-N -1 0 374.369 -0.608 20 0 FBADRM O=C(N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC(F)F)c1c[nH]c(=O)c(=O)[n-]1 ZINC001279140240 846871459 /nfs/dbraw/zinc/87/14/59/846871459.db2.gz XHYTXOPIQPOHNC-GJOTXNKNSA-N -1 0 356.329 -0.411 20 0 FBADRM O=C(NCC(F)F)[C@H]1[C@H]2CC[C@@H]1CN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)C2 ZINC001279140262 846871436 /nfs/dbraw/zinc/87/14/36/846871436.db2.gz YGVSJXJUZMBBHQ-AKZRSSKFSA-N -1 0 356.329 -0.457 20 0 FBADRM O=C(c1c[nH]c(=O)c(=O)[n-]1)N1CC2(C1)SCC[C@H]2C(=O)N1CC=CC1 ZINC001279140531 846871425 /nfs/dbraw/zinc/87/14/25/846871425.db2.gz FRSUOMKXRRFWHR-JTQLQIEISA-N -1 0 362.411 -0.591 20 0 FBADRM O=C(c1c[nH]c(=O)c(=O)[n-]1)N1CC2(C1)SCC[C@@H]2C(=O)N1CC=CC1 ZINC001279140532 846871647 /nfs/dbraw/zinc/87/16/47/846871647.db2.gz FRSUOMKXRRFWHR-SNVBAGLBSA-N -1 0 362.411 -0.591 20 0 FBADRM CN(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1nnn[n-]1 ZINC001279180268 839221547 /nfs/dbraw/zinc/22/15/47/839221547.db2.gz OCKQBNCIUCXQRW-UHFFFAOYSA-N -1 0 352.376 -0.503 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)c1nnn[n-]1 ZINC001279181428 839249334 /nfs/dbraw/zinc/24/93/34/839249334.db2.gz TZWCQMZKUZGLEX-UHFFFAOYSA-N -1 0 366.403 -0.194 20 0 FBADRM CC(=O)N[C@](C)(C(=O)N(C)c1nnn[n-]1)c1ccc(S(C)(=O)=O)cc1 ZINC001279188389 846875180 /nfs/dbraw/zinc/87/51/80/846875180.db2.gz UULSRPXMRDUXBM-AWEZNQCLSA-N -1 0 366.403 -0.383 20 0 FBADRM CC(=O)N[C@@](C)(C(=O)N(C)c1nnn[n-]1)c1ccc(S(C)(=O)=O)cc1 ZINC001279188391 846875597 /nfs/dbraw/zinc/87/55/97/846875597.db2.gz UULSRPXMRDUXBM-CQSZACIVSA-N -1 0 366.403 -0.383 20 0 FBADRM CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)c3c([O-])cccc3F)C[C@@H]21 ZINC001279206326 846550795 /nfs/dbraw/zinc/55/07/95/846550795.db2.gz KDKSPMPPVAGPEN-AAEUAGOBSA-N -1 0 373.406 -0.137 20 0 FBADRM CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)c3c([O-])cccc3F)C[C@H]21 ZINC001279206329 846551145 /nfs/dbraw/zinc/55/11/45/846551145.db2.gz KDKSPMPPVAGPEN-YPMHNXCESA-N -1 0 373.406 -0.137 20 0 FBADRM CN(C)S(=O)(=O)N1C[C@@H]2COC[C@H](C1)N2C(=O)c1c([O-])cccc1F ZINC001279206626 846687249 /nfs/dbraw/zinc/68/72/49/846687249.db2.gz POGZTEKNTDFENN-PHIMTYICSA-N -1 0 373.406 -0.137 20 0 FBADRM NS(=O)(=O)N1CC[C@@]2(C1)CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CO2 ZINC001279221645 846886038 /nfs/dbraw/zinc/88/60/38/846886038.db2.gz HJODPGDURXLPSY-HNNXBMFYSA-N -1 0 369.399 -0.608 20 0 FBADRM NS(=O)(=O)N1CC[C@]2(C1)CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CO2 ZINC001279221649 846886189 /nfs/dbraw/zinc/88/61/89/846886189.db2.gz HJODPGDURXLPSY-OAHLLOKOSA-N -1 0 369.399 -0.608 20 0 FBADRM NS(=O)(=O)N1CC2(C1)CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CO2 ZINC001279224300 846887074 /nfs/dbraw/zinc/88/70/74/846887074.db2.gz XZPNIHPFMGMCCP-UHFFFAOYSA-N -1 0 355.372 -0.999 20 0 FBADRM NS(=O)(=O)N1CC2(C1)COCC(=O)N2Cc1ccc(C(=O)[O-])cc1 ZINC001279224425 846887214 /nfs/dbraw/zinc/88/72/14/846887214.db2.gz ZMEAFIQSRLOWSJ-UHFFFAOYSA-N -1 0 355.372 -0.999 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(N)=O ZINC001279229601 846888377 /nfs/dbraw/zinc/88/83/77/846888377.db2.gz AWBLYCUIPQAQIZ-FRJFDASCSA-N -1 0 367.427 -0.103 20 0 FBADRM CN1CC2(CN(S(=O)(=O)c3cc(C(=O)[O-])ccc3F)C2)OCC1=O ZINC001279229671 846888451 /nfs/dbraw/zinc/88/84/51/846888451.db2.gz BQGMFGJDERKEQO-UHFFFAOYSA-N -1 0 358.347 -0.244 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCn2c(nnc2C(N)=O)C1 ZINC001279230313 846888090 /nfs/dbraw/zinc/88/80/90/846888090.db2.gz GTWSJVRUXRJEDN-UHFFFAOYSA-N -1 0 364.387 -0.596 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@@H]2C(C(N)=O)=NO[C@@H]2C1 ZINC001279230727 846888177 /nfs/dbraw/zinc/88/81/77/846888177.db2.gz HTDUPTVKSKNLTL-GXSJLCMTSA-N -1 0 352.372 -0.630 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CC2(C1)CC[C@H](C(N)=O)O2 ZINC001279231613 846888649 /nfs/dbraw/zinc/88/86/49/846888649.db2.gz UYQOWEKUKPJUSJ-GFCCVEGCSA-N -1 0 353.400 -0.083 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CC2(C1)CC[C@@H](C(N)=O)O2 ZINC001279231614 846888302 /nfs/dbraw/zinc/88/83/02/846888302.db2.gz UYQOWEKUKPJUSJ-LBPRGKRZSA-N -1 0 353.400 -0.083 20 0 FBADRM CN1C(=O)COCC12CN(S(=O)(=O)c1cc(C(=O)[O-])ccc1F)C2 ZINC001279231636 846888055 /nfs/dbraw/zinc/88/80/55/846888055.db2.gz VGMGUNHVNFOWLH-UHFFFAOYSA-N -1 0 358.347 -0.244 20 0 FBADRM CS(=O)(=O)[N-]c1ccsc1C(=O)N1C[C@@H]2C(C(N)=O)=NO[C@@H]2C1 ZINC001279232746 846888260 /nfs/dbraw/zinc/88/82/60/846888260.db2.gz FOMANTNTVYDLPS-POYBYMJQSA-N -1 0 358.401 -0.568 20 0 FBADRM CS(=O)(=O)[N-]c1ccsc1C(=O)N1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(N)=O ZINC001279232832 846888135 /nfs/dbraw/zinc/88/81/35/846888135.db2.gz GMCXAACQIZRQKP-URPMGSGRSA-N -1 0 373.456 -0.041 20 0 FBADRM CS(=O)(=O)[N-]c1ccsc1C(=O)N1CC2(C1)CC[C@H](C(N)=O)O2 ZINC001279233221 846888107 /nfs/dbraw/zinc/88/81/07/846888107.db2.gz KKIQCRNCGIAMDI-SECBINFHSA-N -1 0 359.429 -0.022 20 0 FBADRM CS(=O)(=O)[N-]c1ccsc1C(=O)N1CC2(C1)CC[C@@H](C(N)=O)O2 ZINC001279233222 846888501 /nfs/dbraw/zinc/88/85/01/846888501.db2.gz KKIQCRNCGIAMDI-VIFPVBQESA-N -1 0 359.429 -0.022 20 0 FBADRM CS(=O)(=O)[N-]c1ccsc1C(=O)N1CCn2c(nnc2C(N)=O)C1 ZINC001279233928 846888477 /nfs/dbraw/zinc/88/84/77/846888477.db2.gz SYBYALRDEHOADL-UHFFFAOYSA-N -1 0 370.416 -0.534 20 0 FBADRM CN1CC2(CN(S(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)C2)OCC1=O ZINC001279239382 846888656 /nfs/dbraw/zinc/88/86/56/846888656.db2.gz IMWQXUPWYKQDAG-UHFFFAOYSA-N -1 0 356.356 -0.678 20 0 FBADRM CN1C(=O)COCC12CN(S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)C2 ZINC001279240225 836043590 /nfs/dbraw/zinc/04/35/90/836043590.db2.gz TZLFRSIMBAODAA-UHFFFAOYSA-N -1 0 356.356 -0.678 20 0 FBADRM CN1C[C@]2(CCN(S(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)C2)OCC1=O ZINC001279240692 836044351 /nfs/dbraw/zinc/04/43/51/836044351.db2.gz YHNWCYCOWRPXDV-HNNXBMFYSA-N -1 0 370.383 -0.288 20 0 FBADRM CN1C[C@@]2(CCN(S(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)C2)OCC1=O ZINC001279240693 836044562 /nfs/dbraw/zinc/04/45/62/836044562.db2.gz YHNWCYCOWRPXDV-OAHLLOKOSA-N -1 0 370.383 -0.288 20 0 FBADRM CN(C)S(=O)(=O)N1C[C@H]2CN(C(=O)c3cccc(F)c3[O-])C[C@@H](C1)O2 ZINC001279253798 846892498 /nfs/dbraw/zinc/89/24/98/846892498.db2.gz PIICSFUYRLFJFA-PHIMTYICSA-N -1 0 373.406 -0.137 20 0 FBADRM CN(C)S(=O)(=O)N1C[C@@H]2COC[C@H](C1)N2C(=O)c1cccc(F)c1[O-] ZINC001279253992 846892714 /nfs/dbraw/zinc/89/27/14/846892714.db2.gz RQABXIAIWYRVCX-PHIMTYICSA-N -1 0 373.406 -0.137 20 0 FBADRM CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)c3cccc(F)c3[O-])C[C@H]21 ZINC001279254313 846892584 /nfs/dbraw/zinc/89/25/84/846892584.db2.gz XSROLWKEXBZASA-OLZOCXBDSA-N -1 0 373.406 -0.137 20 0 FBADRM CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)c3cccc(F)c3[O-])C[C@@H]21 ZINC001279254315 846892697 /nfs/dbraw/zinc/89/26/97/846892697.db2.gz XSROLWKEXBZASA-STQMWFEESA-N -1 0 373.406 -0.137 20 0 FBADRM Cn1nnnc1NC(=O)[C@H]1CCSC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001279264298 846893123 /nfs/dbraw/zinc/89/31/23/846893123.db2.gz BAEOYHZSNDKRSK-SSDOTTSWSA-N -1 0 364.391 -0.775 20 0 FBADRM Cn1nnnc1NC(=O)[C@@H]1CCSC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001279264300 846893070 /nfs/dbraw/zinc/89/30/70/846893070.db2.gz BAEOYHZSNDKRSK-ZETCQYMHSA-N -1 0 364.391 -0.775 20 0 FBADRM CS(=O)(=O)CCNC(=O)[C@@H]1CC12CCN(C(=O)c1cc(=O)[nH][n-]1)CC2 ZINC001279264872 846893485 /nfs/dbraw/zinc/89/34/85/846893485.db2.gz ADLIYIIICNWVHP-JTQLQIEISA-N -1 0 370.431 -0.482 20 0 FBADRM CS(=O)(=O)CCNC(=O)[C@H]1CC12CCN(C(=O)c1cc(=O)[nH][n-]1)CC2 ZINC001279264873 846893433 /nfs/dbraw/zinc/89/34/33/846893433.db2.gz ADLIYIIICNWVHP-SNVBAGLBSA-N -1 0 370.431 -0.482 20 0 FBADRM CN(C)C(=O)CNC(=O)[C@H]1CCSC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001279265680 846894189 /nfs/dbraw/zinc/89/41/89/846894189.db2.gz RMDMDMCTRJWHSO-SECBINFHSA-N -1 0 367.431 -0.733 20 0 FBADRM CN(C)C(=O)CNC(=O)[C@@H]1CCSC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001279265684 846894289 /nfs/dbraw/zinc/89/42/89/846894289.db2.gz RMDMDMCTRJWHSO-VIFPVBQESA-N -1 0 367.431 -0.733 20 0 FBADRM O=C(NCC1COC1)[C@H]1COCCC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001279265859 846894455 /nfs/dbraw/zinc/89/44/55/846894455.db2.gz NWZDJKIXCKUYAO-LLVKDONJSA-N -1 0 350.375 -0.643 20 0 FBADRM O=C(NCC1COC1)[C@@H]1COCCC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001279265861 846894473 /nfs/dbraw/zinc/89/44/73/846894473.db2.gz NWZDJKIXCKUYAO-NSHDSACASA-N -1 0 350.375 -0.643 20 0 FBADRM O=C(NCC1COC1)[C@@H]1CCSC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001279266201 846894371 /nfs/dbraw/zinc/89/43/71/846894371.db2.gz VZWOYCBRATWGLY-JTQLQIEISA-N -1 0 352.416 -0.174 20 0 FBADRM O=C(NCC1COC1)[C@H]1CCSC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001279266202 846894153 /nfs/dbraw/zinc/89/41/53/846894153.db2.gz VZWOYCBRATWGLY-SNVBAGLBSA-N -1 0 352.416 -0.174 20 0 FBADRM O=C(C[C@@H]1C[C@@H]2CN(C(=O)c3cc(=O)[nH][n-]3)C[C@@H]2O1)NCC1COC1 ZINC001279266204 846894177 /nfs/dbraw/zinc/89/41/77/846894177.db2.gz WARIFLOUSIFGRR-MDZLAQPJSA-N -1 0 350.375 -0.503 20 0 FBADRM O=C(C[C@H]1C[C@@H]2CN(C(=O)c3cc(=O)[nH][n-]3)C[C@@H]2O1)NCC1COC1 ZINC001279266205 846894319 /nfs/dbraw/zinc/89/43/19/846894319.db2.gz WARIFLOUSIFGRR-WZRBSPASSA-N -1 0 350.375 -0.503 20 0 FBADRM CS(=O)(=O)CCNC(=O)[C@H]1[C@H]2CC[C@@H]1CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001279266307 846894240 /nfs/dbraw/zinc/89/42/40/846894240.db2.gz ZGFRSVHLUPSCBJ-DDFAGTSDSA-N -1 0 370.431 -0.626 20 0 FBADRM CS(=O)(=O)CCNC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)c1cc(=O)[nH][n-]1 ZINC001279266323 846894403 /nfs/dbraw/zinc/89/44/03/846894403.db2.gz ZMVOFCFVZVISJU-FIDNZITISA-N -1 0 370.431 -0.579 20 0 FBADRM COCCN(C)C(=O)[C@H]1COCCC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001279266408 846894416 /nfs/dbraw/zinc/89/44/16/846894416.db2.gz BJMNRDHUCFTWLY-LLVKDONJSA-N -1 0 352.391 -0.301 20 0 FBADRM COCCN(C)C(=O)[C@@H]1COCCC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001279266409 846893961 /nfs/dbraw/zinc/89/39/61/846893961.db2.gz BJMNRDHUCFTWLY-NSHDSACASA-N -1 0 352.391 -0.301 20 0 FBADRM COCCN(C)C(=O)C[C@@H]1C[C@@H]2CN(C(=O)c3cc(=O)[nH][n-]3)C[C@@H]2O1 ZINC001279268126 846894250 /nfs/dbraw/zinc/89/42/50/846894250.db2.gz ZNCXEXKAEGUGJH-MDZLAQPJSA-N -1 0 352.391 -0.160 20 0 FBADRM COCCN(C)C(=O)C[C@H]1C[C@@H]2CN(C(=O)c3cc(=O)[nH][n-]3)C[C@@H]2O1 ZINC001279268127 846894128 /nfs/dbraw/zinc/89/41/28/846894128.db2.gz ZNCXEXKAEGUGJH-WZRBSPASSA-N -1 0 352.391 -0.160 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@@H]2C(C(N)=O)=NO[C@@H]2C1 ZINC001279335887 846897024 /nfs/dbraw/zinc/89/70/24/846897024.db2.gz VXBKFMIGMLBRPQ-CMPLNLGQSA-N -1 0 366.399 -0.240 20 0 FBADRM CN(C)S(=O)(=O)N1CCO[C@H]2CN(Cc3ccc(C(=O)[O-])o3)C[C@@H]21 ZINC001279336166 846897338 /nfs/dbraw/zinc/89/73/38/846897338.db2.gz GFKDDJVSPDLXKF-AAEUAGOBSA-N -1 0 359.404 -0.331 20 0 FBADRM CN(C)S(=O)(=O)N1CCO[C@H]2CN(Cc3ccc(C(=O)[O-])o3)C[C@H]21 ZINC001279336167 846897199 /nfs/dbraw/zinc/89/71/99/846897199.db2.gz GFKDDJVSPDLXKF-YPMHNXCESA-N -1 0 359.404 -0.331 20 0 FBADRM CN(C)S(=O)(=O)N1C[C@H]2CN(Cc3ccc(C(=O)[O-])o3)C[C@@H](C1)O2 ZINC001279336370 846896973 /nfs/dbraw/zinc/89/69/73/846896973.db2.gz IYJHLMIEFRAJOM-TXEJJXNPSA-N -1 0 359.404 -0.331 20 0 FBADRM CN(C)S(=O)(=O)N1C[C@@H]2COC[C@H](C1)N2Cc1ccc(C(=O)[O-])o1 ZINC001279336781 846897207 /nfs/dbraw/zinc/89/72/07/846897207.db2.gz NZLLXUMGFBNXHE-PHIMTYICSA-N -1 0 359.404 -0.331 20 0 FBADRM Cc1cc(C(=O)N2Cc3[nH]nc(C(=O)N=c4nn[n-]n4C)c3C2)ns1 ZINC001279405167 846901305 /nfs/dbraw/zinc/90/13/05/846901305.db2.gz GQAKUQKFYRREKZ-UHFFFAOYSA-N -1 0 359.375 -0.472 20 0 FBADRM NC(=O)[C@@]12C[C@@H]1CN(C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-])C2 ZINC001279448569 846903379 /nfs/dbraw/zinc/90/33/79/846903379.db2.gz GLQYAXIUFFTGNU-CAAJLBCPSA-N -1 0 359.791 -0.360 20 0 FBADRM NC(=O)[C@H]1CC12CN(C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-])C2 ZINC001279449023 846903487 /nfs/dbraw/zinc/90/34/87/846903487.db2.gz MXPMYOCEDXOBHI-SSDOTTSWSA-N -1 0 359.791 -0.360 20 0 FBADRM NC(=O)[C@@H]1CC12CN(C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-])C2 ZINC001279449024 846903200 /nfs/dbraw/zinc/90/32/00/846903200.db2.gz MXPMYOCEDXOBHI-ZETCQYMHSA-N -1 0 359.791 -0.360 20 0 FBADRM NC(=O)C12CC(NC(=O)c3cc(S(N)(=O)=O)c(Cl)cc3[O-])(C1)C2 ZINC001279449043 846903531 /nfs/dbraw/zinc/90/35/31/846903531.db2.gz NLNJCCKBTDHREQ-UHFFFAOYSA-N -1 0 359.791 -0.169 20 0 FBADRM NC(=O)[C@@]12C[C@@H]1CCN2C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-] ZINC001279449235 846903475 /nfs/dbraw/zinc/90/34/75/846903475.db2.gz SWFGVPZYZZJZTE-DAZKTRTLSA-N -1 0 359.791 -0.217 20 0 FBADRM NC(=O)[C@]12C[C@H]1CCN2C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-] ZINC001279449296 846903638 /nfs/dbraw/zinc/90/36/38/846903638.db2.gz SWFGVPZYZZJZTE-UANNBLPKSA-N -1 0 359.791 -0.217 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1noc2c1CN(C(=O)c1ccsn1)CC2 ZINC001279520829 846909933 /nfs/dbraw/zinc/90/99/33/846909933.db2.gz GGFDSIPTMHRUAW-UHFFFAOYSA-N -1 0 360.359 -0.473 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CCN(C(=O)c1ccsn1)C2 ZINC001279521207 846910072 /nfs/dbraw/zinc/91/00/72/846910072.db2.gz KOXFDLGQXSTSRY-UHFFFAOYSA-N -1 0 359.375 -0.738 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1cc2c([nH]1)CN(C(=O)c1ccsn1)CC2 ZINC001279522226 846909960 /nfs/dbraw/zinc/90/99/60/846909960.db2.gz VDTQRGBNNAXYGE-UHFFFAOYSA-N -1 0 358.387 -0.133 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)c1ccsn1)CC2 ZINC001279522266 846909733 /nfs/dbraw/zinc/90/97/33/846909733.db2.gz WVFQZBLFBPDSCO-UHFFFAOYSA-N -1 0 359.375 -0.738 20 0 FBADRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)c1 ZINC001279657096 846920858 /nfs/dbraw/zinc/92/08/58/846920858.db2.gz ILQCCMBAXKJJIY-CMPLNLGQSA-N -1 0 366.399 -0.321 20 0 FBADRM NC(=O)C[C@@H]1C[C@@H]2CN(C(=O)c3ccc(OCCO)cc3O)C[C@@H]2O1 ZINC001279661977 846920424 /nfs/dbraw/zinc/92/04/24/846920424.db2.gz AVENRCKYQYLKAC-GMXABZIVSA-N -1 0 350.371 -0.132 20 0 FBADRM NC(=O)C[C@H]1C[C@@H]2CN(C(=O)c3ccc(OCCO)cc3O)C[C@@H]2O1 ZINC001279661979 846921054 /nfs/dbraw/zinc/92/10/54/846921054.db2.gz AVENRCKYQYLKAC-HCKVZZMMSA-N -1 0 350.371 -0.132 20 0 FBADRM NC(=O)[C@H]1COCCC12CN(C(=O)c1ccc(OCCO)cc1O)C2 ZINC001279662568 846920944 /nfs/dbraw/zinc/92/09/44/846920944.db2.gz PAVNJFLJDXSIKI-CYBMUJFWSA-N -1 0 350.371 -0.273 20 0 FBADRM NC(=O)[C@@H]1COCCC12CN(C(=O)c1ccc(OCCO)cc1O)C2 ZINC001279662569 846920767 /nfs/dbraw/zinc/92/07/67/846920767.db2.gz PAVNJFLJDXSIKI-ZDUSSCGKSA-N -1 0 350.371 -0.273 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1nnc2n1CCN(CCc1cccs1)C2 ZINC001279728460 846922871 /nfs/dbraw/zinc/92/28/71/846922871.db2.gz QROXFDPZOMUZOC-UHFFFAOYSA-N -1 0 359.419 -0.404 20 0 FBADRM Cc1ccc(CN2CCn3c(nnc3C(=O)N=c3nn[n-]n3C)C2)s1 ZINC001279778625 846931038 /nfs/dbraw/zinc/93/10/38/846931038.db2.gz OSUVFWBNQQQHJY-UHFFFAOYSA-N -1 0 359.419 -0.138 20 0 FBADRM Cc1ccsc1CN1CCn2c(nnc2C(=O)N=c2nn[n-]n2C)C1 ZINC001279780570 846931226 /nfs/dbraw/zinc/93/12/26/846931226.db2.gz ZFBPCJMXRFUCIF-UHFFFAOYSA-N -1 0 359.419 -0.138 20 0 FBADRM Cc1cnc(CN2CCc3c([nH]nc3C(=O)N=c3nn[n-]n3C)C2)s1 ZINC001279792955 846933275 /nfs/dbraw/zinc/93/32/75/846933275.db2.gz JXARQYYDQZLQSY-UHFFFAOYSA-N -1 0 359.419 -0.069 20 0 FBADRM Cc1cnc(CN2CCn3c(nnc3C(=O)N=c3nn[n-]n3C)C2)s1 ZINC001279793713 846933589 /nfs/dbraw/zinc/93/35/89/846933589.db2.gz RPBIFNGESYWQPA-UHFFFAOYSA-N -1 0 360.407 -0.743 20 0 FBADRM Cc1cnc(CN2CCc3[nH]nc(C(=O)N=c4nn[n-]n4C)c3C2)s1 ZINC001279794094 846933431 /nfs/dbraw/zinc/93/34/31/846933431.db2.gz WUHWRAVNDGICNJ-UHFFFAOYSA-N -1 0 359.419 -0.069 20 0 FBADRM COc1ncc(CN2Cc3[nH]nc(C(=O)N=c4nn[n-]n4C)c3C2)s1 ZINC001279795326 846933174 /nfs/dbraw/zinc/93/31/74/846933174.db2.gz DUARAEAHMJNBJF-UHFFFAOYSA-N -1 0 361.391 -0.412 20 0 FBADRM Cn1[n-]nnc1=NC(=O)C1=NO[C@@H]2CN(Cc3ccncc3Cl)C[C@H]12 ZINC001279806115 846933104 /nfs/dbraw/zinc/93/31/04/846933104.db2.gz KVUSJZRAOSQBNG-GXSJLCMTSA-N -1 0 362.781 -0.494 20 0 FBADRM Cn1c(=O)cccc1C(=O)N1C[C@H]2C[C@@H](C1)N2S(=O)(=O)c1ncc[n-]1 ZINC001279831629 846934524 /nfs/dbraw/zinc/93/45/24/846934524.db2.gz LKPKCBKOUYYUNH-PHIMTYICSA-N -1 0 363.399 -0.604 20 0 FBADRM Cn1c(=O)cccc1C(=O)N1CCC12CN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001279831668 846934696 /nfs/dbraw/zinc/93/46/96/846934696.db2.gz GGEZXPCTIQJDIC-UHFFFAOYSA-N -1 0 363.399 -0.602 20 0 FBADRM O=C(c1ccc(=O)[nH]n1)N1C[C@@H]2CCN(S(=O)(=O)c3ncc[n-]3)[C@@H]2C1 ZINC001279831932 846934590 /nfs/dbraw/zinc/93/45/90/846934590.db2.gz QDEFNCYKJNTGJG-GXSJLCMTSA-N -1 0 364.387 -0.560 20 0 FBADRM Cn1ncnc1C(=O)N1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ncc[n-]1)C2 ZINC001279832032 846934726 /nfs/dbraw/zinc/93/47/26/846934726.db2.gz JMOWAVALHKOFQS-ZJUUUORDSA-N -1 0 351.392 -0.927 20 0 FBADRM O=C(Cn1cc(Cl)cn1)N1CCC12CN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001279832038 846934492 /nfs/dbraw/zinc/93/44/92/846934492.db2.gz JRERAGLYADEQRI-UHFFFAOYSA-N -1 0 370.822 -0.065 20 0 FBADRM Cn1ncnc1C(=O)N1CC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ncc[n-]1 ZINC001279832039 846934895 /nfs/dbraw/zinc/93/48/95/846934895.db2.gz JUONDOLBGRXSHZ-UWVGGRQHSA-N -1 0 351.392 -0.784 20 0 FBADRM O=C(c1ccc(=O)[nH]n1)N1CC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ncc[n-]1 ZINC001279832125 846934549 /nfs/dbraw/zinc/93/45/49/846934549.db2.gz UQTLUPIXLVYRRE-QWRGUYRKSA-N -1 0 364.387 -0.417 20 0 FBADRM Cn1ncnc1C(=O)N1CC2(C1)CCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001279832179 846934820 /nfs/dbraw/zinc/93/48/20/846934820.db2.gz KRVWUENDKZRLTR-UHFFFAOYSA-N -1 0 365.419 -0.535 20 0 FBADRM Cn1ncnc1C(=O)N1CCC2(CN(S(=O)(=O)c3ncc[n-]3)C2)C1 ZINC001279832191 846934116 /nfs/dbraw/zinc/93/41/16/846934116.db2.gz LFCSVQMQHGHESB-UHFFFAOYSA-N -1 0 351.392 -0.925 20 0 FBADRM O=C(Cn1cc(Cl)cn1)N1C[C@H]2C[C@@H](C1)N2S(=O)(=O)c1ncc[n-]1 ZINC001279832231 846934370 /nfs/dbraw/zinc/93/43/70/846934370.db2.gz MNVSHOSKRVOHAY-PHIMTYICSA-N -1 0 370.822 -0.066 20 0 FBADRM Cn1ncnc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ncc[n-]1 ZINC001279832256 846934633 /nfs/dbraw/zinc/93/46/33/846934633.db2.gz NNFCALWNWOKVPG-FGWVZKOKSA-N -1 0 365.419 -0.348 20 0 FBADRM Cn1ncnc1C(=O)N1C[C@@H]2CCN(S(=O)(=O)c3ncc[n-]3)[C@@H]2C1 ZINC001279832272 846934712 /nfs/dbraw/zinc/93/47/12/846934712.db2.gz OGYWIROIRAKBNV-VHSXEESVSA-N -1 0 351.392 -0.927 20 0 FBADRM O=C(c1ccc(=O)[nH]n1)N1C[C@H]2C[C@@H](C1)N2S(=O)(=O)c1ncc[n-]1 ZINC001279832497 846934342 /nfs/dbraw/zinc/93/43/42/846934342.db2.gz ZOKDZBDAVNAMFI-DTORHVGOSA-N -1 0 350.360 -0.807 20 0 FBADRM O=C(Cn1cc(Cl)cn1)N1CC2(C1)CN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001279832773 846935860 /nfs/dbraw/zinc/93/58/60/846935860.db2.gz UPTKHGCAJMXQDZ-UHFFFAOYSA-N -1 0 370.822 -0.207 20 0 FBADRM O=C([C@H]1CC2CC[NH+]1CC2)N1C[C@H]2C[C@@H](C1)N2S(=O)(=O)c1ncc[n-]1 ZINC001279832914 846935813 /nfs/dbraw/zinc/93/58/13/846935813.db2.gz YPPBPFQAJJYBHD-HZSPNIEDSA-N -1 0 365.459 -0.132 20 0 FBADRM O=C([C@@H]1CC2CC[NH+]1CC2)N1C[C@H]2C[C@@H](C1)N2S(=O)(=O)c1ncc[n-]1 ZINC001279832915 846935562 /nfs/dbraw/zinc/93/55/62/846935562.db2.gz YPPBPFQAJJYBHD-MJBXVCDLSA-N -1 0 365.459 -0.132 20 0 FBADRM O=c1cccc(CN2CCO[C@H]3CN(S(=O)(=O)c4ncc[n-]4)C[C@H]32)[nH]1 ZINC001279833358 846935776 /nfs/dbraw/zinc/93/57/76/846935776.db2.gz CGIQZERYZOKMIY-OLZOCXBDSA-N -1 0 365.415 -0.216 20 0 FBADRM O=c1cccc(CN2CCO[C@H]3CN(S(=O)(=O)c4ncc[n-]4)C[C@@H]32)[nH]1 ZINC001279833359 846935545 /nfs/dbraw/zinc/93/55/45/846935545.db2.gz CGIQZERYZOKMIY-STQMWFEESA-N -1 0 365.415 -0.216 20 0 FBADRM CCn1ccnc1CN1C[C@@H]2COC[C@H](C1)N2S(=O)(=O)c1ncc[n-]1 ZINC001279833369 846935848 /nfs/dbraw/zinc/93/58/48/846935848.db2.gz CUZWTCHWROHHIP-BETUJISGSA-N -1 0 366.447 -0.100 20 0 FBADRM O=c1cccc(CN2[C@H]3COC[C@@H]2CN(S(=O)(=O)c2ncc[n-]2)C3)[nH]1 ZINC001279833527 846935738 /nfs/dbraw/zinc/93/57/38/846935738.db2.gz GKKALFGLJSCICG-BETUJISGSA-N -1 0 365.415 -0.216 20 0 FBADRM Cc1cc(CN2C[C@@H]3COC[C@H](C2)N3S(=O)(=O)c2ncc[n-]2)n(C)n1 ZINC001279833558 846936089 /nfs/dbraw/zinc/93/60/89/846936089.db2.gz HOVMBTMIGYAMED-OKILXGFUSA-N -1 0 366.447 -0.274 20 0 FBADRM Cc1cc(CN2CCO[C@H]3CN(S(=O)(=O)c4ncc[n-]4)C[C@@H]32)n(C)n1 ZINC001279833576 846936124 /nfs/dbraw/zinc/93/61/24/846936124.db2.gz IHIVVJYGJJHHNG-KBPBESRZSA-N -1 0 366.447 -0.274 20 0 FBADRM Cc1cc(CN2CCO[C@H]3CN(S(=O)(=O)c4ncc[n-]4)C[C@H]32)n(C)n1 ZINC001279833577 846936290 /nfs/dbraw/zinc/93/62/90/846936290.db2.gz IHIVVJYGJJHHNG-KGLIPLIRSA-N -1 0 366.447 -0.274 20 0 FBADRM CN(C)S(=O)(=O)N1CC2(C1)CCN(S(=O)(=O)c1ncc[n-]1)CC2 ZINC001279833727 846935655 /nfs/dbraw/zinc/93/56/55/846935655.db2.gz JHEQFGZYCUXBEP-UHFFFAOYSA-N -1 0 363.465 -0.697 20 0 FBADRM O=S(=O)(c1ncc[n-]1)N1C[C@H]2CN(CCn3ccnc3)C[C@@H](C1)O2 ZINC001279833988 846935492 /nfs/dbraw/zinc/93/54/92/846935492.db2.gz LITMRFXBQBQZPW-BETUJISGSA-N -1 0 352.420 -0.620 20 0 FBADRM COCCOCN1CCO[C@@]2(CCCN(S(=O)(=O)c3ncc[n-]3)C2)C1 ZINC001279834039 846935614 /nfs/dbraw/zinc/93/56/14/846935614.db2.gz LZQYOISHXQGBBG-HNNXBMFYSA-N -1 0 374.463 -0.114 20 0 FBADRM COCCOCN1CCO[C@]2(CCCN(S(=O)(=O)c3ncc[n-]3)C2)C1 ZINC001279834041 846935476 /nfs/dbraw/zinc/93/54/76/846935476.db2.gz LZQYOISHXQGBBG-OAHLLOKOSA-N -1 0 374.463 -0.114 20 0 FBADRM O=S(=O)(c1ncc[n-]1)N1C[C@@H]2COC[C@H](C1)N2CCn1ccnc1 ZINC001279834048 846936155 /nfs/dbraw/zinc/93/61/55/846936155.db2.gz MGIAYHHGRJUENU-BETUJISGSA-N -1 0 352.420 -0.620 20 0 FBADRM Cc1cc(CN2C[C@@H]3CN(S(=O)(=O)c4ncc[n-]4)C[C@H](C2)O3)n(C)n1 ZINC001279834256 846935595 /nfs/dbraw/zinc/93/55/95/846935595.db2.gz MXVWXFYUZDYSCI-OKILXGFUSA-N -1 0 366.447 -0.274 20 0 FBADRM CN(C)C(=O)CN1CCO[C@@]2(CCCN(S(=O)(=O)c3ncc[n-]3)C2)C1 ZINC001279834337 846936333 /nfs/dbraw/zinc/93/63/33/846936333.db2.gz OBYPPSQFJJSAEJ-HNNXBMFYSA-N -1 0 371.463 -0.647 20 0 FBADRM CN(C)C(=O)CN1CCO[C@]2(CCCN(S(=O)(=O)c3ncc[n-]3)C2)C1 ZINC001279834339 846935766 /nfs/dbraw/zinc/93/57/66/846935766.db2.gz OBYPPSQFJJSAEJ-OAHLLOKOSA-N -1 0 371.463 -0.647 20 0 FBADRM O=c1cccc(CN2C[C@@H]3CN(S(=O)(=O)c4ncc[n-]4)C[C@H](C2)O3)[nH]1 ZINC001279834364 846936140 /nfs/dbraw/zinc/93/61/40/846936140.db2.gz OUCHWYNLBQEBCJ-BETUJISGSA-N -1 0 365.415 -0.216 20 0 FBADRM CCn1ccnc1CN1CCO[C@H]2CN(S(=O)(=O)c3ncc[n-]3)C[C@H]21 ZINC001279834699 846936000 /nfs/dbraw/zinc/93/60/00/846936000.db2.gz QGVXJUHUWXQXNM-OLZOCXBDSA-N -1 0 366.447 -0.100 20 0 FBADRM CCn1ccnc1CN1CCO[C@H]2CN(S(=O)(=O)c3ncc[n-]3)C[C@@H]21 ZINC001279834700 846935982 /nfs/dbraw/zinc/93/59/82/846935982.db2.gz QGVXJUHUWXQXNM-STQMWFEESA-N -1 0 366.447 -0.100 20 0 FBADRM CCn1ccnc1CN1C[C@@H]2CN(S(=O)(=O)c3ncc[n-]3)C[C@H](C1)O2 ZINC001279834823 846936033 /nfs/dbraw/zinc/93/60/33/846936033.db2.gz UNFAFODXISKXRS-BETUJISGSA-N -1 0 366.447 -0.100 20 0 FBADRM CN(C)S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ncc[n-]1 ZINC001279834913 846935958 /nfs/dbraw/zinc/93/59/58/846935958.db2.gz PNAVYPPRAZDFGL-FGWVZKOKSA-N -1 0 363.465 -0.510 20 0 FBADRM O=C(NCC(F)(F)F)N1CC2(C1)CN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001279835195 846935753 /nfs/dbraw/zinc/93/57/53/846935753.db2.gz XRZIVRPSOABTLU-UHFFFAOYSA-N -1 0 353.326 -0.012 20 0 FBADRM CN(C)S(=O)(=O)N1CC2(C1)CCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001279835355 846935913 /nfs/dbraw/zinc/93/59/13/846935913.db2.gz ZXEOKRJSYZKYLB-UHFFFAOYSA-N -1 0 363.465 -0.697 20 0 FBADRM Cn1[n-]nnc1=NC(=O)C1=NO[C@@H]2CN(Cc3cnc(Cl)s3)C[C@H]12 ZINC001279843594 846937342 /nfs/dbraw/zinc/93/73/42/846937342.db2.gz PGPODSLDGADBNP-JGVFFNPUSA-N -1 0 368.810 -0.433 20 0 FBADRM Cn1[n-]nnc1=NC(=O)C1=NO[C@@H]2CN(Cc3csc(Cl)n3)C[C@H]12 ZINC001279853543 846938290 /nfs/dbraw/zinc/93/82/90/846938290.db2.gz FKTLKSGMLJBMAW-JGVFFNPUSA-N -1 0 368.810 -0.433 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(Cc1cnc(Cl)nc1)C2 ZINC001279862098 846938198 /nfs/dbraw/zinc/93/81/98/846938198.db2.gz YKXQIZGCRXOOJQ-UHFFFAOYSA-N -1 0 360.769 -0.433 20 0 FBADRM C[C@@H]1Cc2nnc(C(=O)N=c3nn[n-]n3C)n2CCN1CC(F)(F)F ZINC001279878057 846939125 /nfs/dbraw/zinc/93/91/25/846939125.db2.gz REFOQKPTOUMOBN-SSDOTTSWSA-N -1 0 359.316 -0.715 20 0 FBADRM C[C@H]1Cc2nnc(C(=O)N=c3nn[n-]n3C)n2CCN1CC(F)(F)F ZINC001279878058 846939112 /nfs/dbraw/zinc/93/91/12/846939112.db2.gz REFOQKPTOUMOBN-ZETCQYMHSA-N -1 0 359.316 -0.715 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1nnc2n1CCN(CCCC(F)(F)F)C2 ZINC001279888737 846940281 /nfs/dbraw/zinc/94/02/81/846940281.db2.gz DTZSSRJWUYKBBZ-UHFFFAOYSA-N -1 0 359.316 -0.366 20 0 FBADRM Cn1[n-]nnc1=NC(=O)C1=NO[C@@H]2CN(Cc3cccnc3Cl)C[C@H]12 ZINC001279909992 846945712 /nfs/dbraw/zinc/94/57/12/846945712.db2.gz QJOWZWGGEKHDIE-VHSXEESVSA-N -1 0 362.781 -0.494 20 0 FBADRM Cn1[n-]nnc1=NC(=O)C1=NO[C@@H]2CN(Cc3scnc3Cl)C[C@H]12 ZINC001279998637 846953119 /nfs/dbraw/zinc/95/31/19/846953119.db2.gz QCEHRXVRWGBNLK-NKWVEPMBSA-N -1 0 368.810 -0.433 20 0 FBADRM CS(=O)(=O)CCNC(=O)[C@H]1CC12CN(Cc1ccc(C(=O)[O-])o1)C2 ZINC001280047299 846964596 /nfs/dbraw/zinc/96/45/96/846964596.db2.gz FBFUPOKGZAAIOH-LLVKDONJSA-N -1 0 356.400 -0.040 20 0 FBADRM CS(=O)(=O)CCNC(=O)[C@@H]1CC12CN(Cc1ccc(C(=O)[O-])o1)C2 ZINC001280047300 846964477 /nfs/dbraw/zinc/96/44/77/846964477.db2.gz FBFUPOKGZAAIOH-NSHDSACASA-N -1 0 356.400 -0.040 20 0 FBADRM CS(=O)(=O)CCNC(=O)[C@@]12C[C@@H]1CN(Cc1ccc(C(=O)[O-])o1)C2 ZINC001280047746 846964645 /nfs/dbraw/zinc/96/46/45/846964645.db2.gz QOFWMWJNBPGOKD-MEBBXXQBSA-N -1 0 356.400 -0.040 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1ccc2c(n1)CCN(Cc1csnn1)C2 ZINC001280049677 846965438 /nfs/dbraw/zinc/96/54/38/846965438.db2.gz ISEJWKZFOZKFSD-UHFFFAOYSA-N -1 0 357.403 -0.311 20 0 FBADRM C[C@H](CN1CCn2c(nnc2C(=O)N=c2nn[n-]n2C)C1)C(F)(F)F ZINC001280067638 846970307 /nfs/dbraw/zinc/97/03/07/846970307.db2.gz POMOHADYVHFJJA-SSDOTTSWSA-N -1 0 359.316 -0.510 20 0 FBADRM C[C@@H](CN1CCn2c(nnc2C(=O)N=c2nn[n-]n2C)C1)C(F)(F)F ZINC001280067639 846970218 /nfs/dbraw/zinc/97/02/18/846970218.db2.gz POMOHADYVHFJJA-ZETCQYMHSA-N -1 0 359.316 -0.510 20 0 FBADRM COCOCCCN1CCc2onc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001280089195 846974545 /nfs/dbraw/zinc/97/45/45/846974545.db2.gz PZPNFEIQXKFNFH-UHFFFAOYSA-N -1 0 351.367 -0.759 20 0 FBADRM COc1ccsc1CN1C[C@@H]2C(C(=O)N=c3nn[n-]n3C)=NO[C@@H]2C1 ZINC001280105965 846976671 /nfs/dbraw/zinc/97/66/71/846976671.db2.gz GEJKKZCEVSWBKM-WCBMZHEXSA-N -1 0 363.403 -0.473 20 0 FBADRM Cn1[n-]nnc1=NC(=O)c1nnc2n1CCN(CC1CCSCC1)C2 ZINC001280166739 846984292 /nfs/dbraw/zinc/98/42/92/846984292.db2.gz MCJYSCKYYKNBCO-UHFFFAOYSA-N -1 0 363.451 -0.565 20 0 FBADRM Cn1[n-]nnc1=NC(=O)C1=NO[C@@H]2CN(Cc3ccnc(Cl)c3)C[C@H]12 ZINC001280170199 846984951 /nfs/dbraw/zinc/98/49/51/846984951.db2.gz TVLYKBCBFBDRLK-VHSXEESVSA-N -1 0 362.781 -0.494 20 0 FBADRM CS[C@H](C)CCN1CCn2c(nnc2C(=O)N=c2nn[n-]n2C)C1 ZINC001280224281 846996239 /nfs/dbraw/zinc/99/62/39/846996239.db2.gz QXGQYUBPTVLXDK-SECBINFHSA-N -1 0 351.440 -0.567 20 0 FBADRM CS[C@@H](C)CCN1CCn2c(nnc2C(=O)N=c2nn[n-]n2C)C1 ZINC001280224285 846995978 /nfs/dbraw/zinc/99/59/78/846995978.db2.gz QXGQYUBPTVLXDK-VIFPVBQESA-N -1 0 351.440 -0.567 20 0 FBADRM CN1C[C@@H]2CN(S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)C[C@H](C1)O2 ZINC001280288597 846999565 /nfs/dbraw/zinc/99/95/65/846999565.db2.gz QVQLTVFJPXVNLV-BETUJISGSA-N -1 0 356.400 -0.147 20 0 FBADRM CN1C[C@@H]2COC[C@H](C1)N2S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001280288929 846999630 /nfs/dbraw/zinc/99/96/30/846999630.db2.gz ZNNYCXRGIVFNOD-TXEJJXNPSA-N -1 0 356.400 -0.147 20 0 FBADRM Cc1csc(CN2CCn3c(nnc3C(=O)N=c3nn[n-]n3C)C2)n1 ZINC001280290341 846999210 /nfs/dbraw/zinc/99/92/10/846999210.db2.gz FWOIBNPQDGJGNS-UHFFFAOYSA-N -1 0 360.407 -0.743 20 0 FBADRM Cc1csc(CN2CCc3c([nH]nc3C(=O)N=c3nn[n-]n3C)C2)n1 ZINC001280291205 847000640 /nfs/dbraw/zinc/00/06/40/847000640.db2.gz WEGVEMAVMZZUJZ-UHFFFAOYSA-N -1 0 359.419 -0.069 20 0 FBADRM Cc1csc(CN2CCc3[nH]nc(C(=O)N=c4nn[n-]n4C)c3C2)n1 ZINC001280291239 847000634 /nfs/dbraw/zinc/00/06/34/847000634.db2.gz WZFKVLAVFJDHGU-UHFFFAOYSA-N -1 0 359.419 -0.069 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001280508896 847014305 /nfs/dbraw/zinc/01/43/05/847014305.db2.gz FMEOFBWLYHJGSN-KKZNHRDASA-N -1 0 353.379 -0.325 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N(C)[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001280508897 847014592 /nfs/dbraw/zinc/01/45/92/847014592.db2.gz FMEOFBWLYHJGSN-NGZCFLSTSA-N -1 0 353.379 -0.325 20 0 FBADRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001280509884 847014599 /nfs/dbraw/zinc/01/45/99/847014599.db2.gz XAODTZPGCMCXQI-JLIMGVALSA-N -1 0 351.363 -0.573 20 0 FBADRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001280509887 847014902 /nfs/dbraw/zinc/01/49/02/847014902.db2.gz XAODTZPGCMCXQI-KYXWUPHJSA-N -1 0 351.363 -0.573 20 0 FBADRM CN(CCCN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Cc1n[nH]c(=O)[n-]1 ZINC001280835998 847025115 /nfs/dbraw/zinc/02/51/15/847025115.db2.gz QIOGWYMDRBVHON-SGMGOOAPSA-N -1 0 353.423 -0.158 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)N(C)C[C@H](O)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001281274437 847049917 /nfs/dbraw/zinc/04/99/17/847049917.db2.gz XYYUKCPSBJWOAX-GMTAPVOTSA-N -1 0 352.391 -0.919 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](O)CNC(=O)c1cnc([O-])n(C)c1=O ZINC001281274438 847049833 /nfs/dbraw/zinc/04/98/33/847049833.db2.gz XYYUKCPSBJWOAX-OUAUKWLOSA-N -1 0 352.391 -0.919 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1[O-] ZINC001281274818 847049937 /nfs/dbraw/zinc/04/99/37/847049937.db2.gz ZZBCGKQPJWQPMB-KKOKHZNYSA-N -1 0 352.391 -0.460 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1[O-] ZINC001281274820 847049686 /nfs/dbraw/zinc/04/96/86/847049686.db2.gz ZZBCGKQPJWQPMB-QCNOEVLYSA-N -1 0 352.391 -0.460 20 0 FBADRM CC(C)SCC(=O)N1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001281598314 847057326 /nfs/dbraw/zinc/05/73/26/847057326.db2.gz IJSQNNYXFBZFJF-WDEREUQCSA-N -1 0 369.447 -0.110 20 0 FBADRM COCCC(=O)N1CC[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC001281599098 847057462 /nfs/dbraw/zinc/05/74/62/847057462.db2.gz VHCHHWXYNFTSQN-CMPLNLGQSA-N -1 0 350.375 -0.805 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H]3CN(C(=O)CCS(C)(=O)=O)C[C@H]32)c1[O-] ZINC001281607988 847059398 /nfs/dbraw/zinc/05/93/98/847059398.db2.gz MQLJAPXOXZTZSP-WDEREUQCSA-N -1 0 370.431 -0.469 20 0 FBADRM CCOCCC(=O)N1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001281624152 847067132 /nfs/dbraw/zinc/06/71/32/847067132.db2.gz JTQRIAPOXDNTEY-WDEREUQCSA-N -1 0 353.379 -0.825 20 0 FBADRM COCCCC(=O)N1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001281624235 847067058 /nfs/dbraw/zinc/06/70/58/847067058.db2.gz MRQYVNIDWBHWFL-WDEREUQCSA-N -1 0 353.379 -0.825 20 0 FBADRM CSCCC(=O)N1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001281624568 847067035 /nfs/dbraw/zinc/06/70/35/847067035.db2.gz ZOFLSMIKOOONRK-VHSXEESVSA-N -1 0 355.420 -0.498 20 0 FBADRM CC(C)(F)C(=O)N[C@@H]1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C[C@H]1O ZINC001281636169 847071308 /nfs/dbraw/zinc/07/13/08/847071308.db2.gz UZVMBGIUZJPZQJ-HTQZYQBOSA-N -1 0 371.331 -0.121 20 0 FBADRM CCCS(=O)(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2O)C1 ZINC001281639984 847074868 /nfs/dbraw/zinc/07/48/68/847074868.db2.gz LBXPJMQHYNDDGZ-TZMCWYRMSA-N -1 0 370.427 -0.482 20 0 FBADRM CCOCCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2O)C1 ZINC001281640014 847074501 /nfs/dbraw/zinc/07/45/01/847074501.db2.gz MFQPUBXYJDSDSB-UKRRQHHQSA-N -1 0 352.387 -0.253 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)COC3CCCC3)C2)c1[O-] ZINC001281642081 847079021 /nfs/dbraw/zinc/07/90/21/847079021.db2.gz DBOSKDCSDUZVPA-VXGBXAGGSA-N -1 0 352.391 -0.316 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H](C)OCC3CC3)C2)c1[O-] ZINC001281645368 847080584 /nfs/dbraw/zinc/08/05/84/847080584.db2.gz BMBFLDVWCXJEEN-MVWJERBFSA-N -1 0 352.391 -0.460 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H](C)OCC3CC3)C2)c1[O-] ZINC001281645369 847080999 /nfs/dbraw/zinc/08/09/99/847080999.db2.gz BMBFLDVWCXJEEN-YUSALJHKSA-N -1 0 352.391 -0.460 20 0 FBADRM COC1(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)CCC1 ZINC001281653491 847088577 /nfs/dbraw/zinc/08/85/77/847088577.db2.gz CYRBVCWQDJMGGN-GHMZBOCLSA-N -1 0 352.391 -0.316 20 0 FBADRM COCC1(CC(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]2O)CC1 ZINC001281662814 847095973 /nfs/dbraw/zinc/09/59/73/847095973.db2.gz LDMCGPVZEOVKME-GHMZBOCLSA-N -1 0 352.391 -0.458 20 0 FBADRM CCO[C@H](C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O)C1CC1 ZINC001281672037 847103633 /nfs/dbraw/zinc/10/36/33/847103633.db2.gz LNTBKZJNAJAQHX-GYSYKLTISA-N -1 0 352.391 -0.460 20 0 FBADRM CCO[C@@H](C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O)C1CC1 ZINC001281672038 847103318 /nfs/dbraw/zinc/10/33/18/847103318.db2.gz LNTBKZJNAJAQHX-JTNHKYCSSA-N -1 0 352.391 -0.460 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)COc3ccsc3)C2)c1[O-] ZINC001281694400 847128234 /nfs/dbraw/zinc/12/82/34/847128234.db2.gz FIARNDXJNDJDHD-GHMZBOCLSA-N -1 0 366.399 -0.134 20 0 FBADRM C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C[C@H]1O ZINC001281701748 847135348 /nfs/dbraw/zinc/13/53/48/847135348.db2.gz CHVJXZDFGBOMNZ-AXTSPUMRSA-N -1 0 365.352 -0.213 20 0 FBADRM CO[C@H](CC(C)C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001281712158 847143965 /nfs/dbraw/zinc/14/39/65/847143965.db2.gz SDMLHQZYDPCEAC-IJLUTSLNSA-N -1 0 354.407 -0.214 20 0 FBADRM CO[C@@H](CC(C)C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001281712160 847144118 /nfs/dbraw/zinc/14/41/18/847144118.db2.gz SDMLHQZYDPCEAC-UTUOFQBUSA-N -1 0 354.407 -0.214 20 0 FBADRM CC(C)[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1O ZINC001281720809 847151893 /nfs/dbraw/zinc/15/18/93/847151893.db2.gz WVKXRYKLPLNJPZ-MVWJERBFSA-N -1 0 352.391 -0.921 20 0 FBADRM CC(C)[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1O ZINC001281720810 847152264 /nfs/dbraw/zinc/15/22/64/847152264.db2.gz WVKXRYKLPLNJPZ-YUSALJHKSA-N -1 0 352.391 -0.921 20 0 FBADRM COCC(=O)N[C@@H]1CN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C[C@H]1C ZINC001281735696 847153108 /nfs/dbraw/zinc/15/31/08/847153108.db2.gz LMQQYTIGTXNQJE-TZMCWYRMSA-N -1 0 352.435 -0.016 20 0 FBADRM CC(C)OCCC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001281741146 847155474 /nfs/dbraw/zinc/15/54/74/847155474.db2.gz DOHXMYYUWILVFC-NXEZZACHSA-N -1 0 353.379 -0.325 20 0 FBADRM CSC[C@H](C)C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001281747783 847157570 /nfs/dbraw/zinc/15/75/70/847157570.db2.gz XURSTKAJEQBDNH-KXUCPTDWSA-N -1 0 357.436 -0.349 20 0 FBADRM CSC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001281747784 847157291 /nfs/dbraw/zinc/15/72/91/847157291.db2.gz XURSTKAJEQBDNH-OPRDCNLKSA-N -1 0 357.436 -0.349 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C(=O)C(C)(C)C ZINC001281749354 847158500 /nfs/dbraw/zinc/15/85/00/847158500.db2.gz BGYDCOYYFMTXFB-RKDXNWHRSA-N -1 0 353.379 -0.732 20 0 FBADRM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001281754281 847160391 /nfs/dbraw/zinc/16/03/91/847160391.db2.gz JDUAPYOWVLRHET-LDYMZIIASA-N -1 0 351.407 -0.085 20 0 FBADRM CCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001281777616 847169921 /nfs/dbraw/zinc/16/99/21/847169921.db2.gz BZQKMBAOEWGFDJ-MWLCHTKSSA-N -1 0 353.379 -0.785 20 0 FBADRM CS[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001281779046 847171065 /nfs/dbraw/zinc/17/10/65/847171065.db2.gz QMUUYSVHYUFACO-FXPVBKGRSA-N -1 0 369.447 -0.070 20 0 FBADRM CS[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001281779047 847170943 /nfs/dbraw/zinc/17/09/43/847170943.db2.gz QMUUYSVHYUFACO-WCABBAIRSA-N -1 0 369.447 -0.070 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)CCS(C)(=O)=O)C2)c1[O-] ZINC001281779517 847170770 /nfs/dbraw/zinc/17/07/70/847170770.db2.gz UKAGIICBBZHPGT-PSASIEDQSA-N -1 0 358.420 -0.565 20 0 FBADRM C[C@@H]1CN(C(=O)C2(CCF)CC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001281786118 847174143 /nfs/dbraw/zinc/17/41/43/847174143.db2.gz CWLPKIRHZGJKTB-RKDXNWHRSA-N -1 0 353.354 -0.001 20 0 FBADRM C[C@@H](CC(F)F)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001281786958 847174241 /nfs/dbraw/zinc/17/42/41/847174241.db2.gz BBFBHOYJZXSOIY-DJLDLDEBSA-N -1 0 361.349 -0.056 20 0 FBADRM C[C@H](CC(F)F)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001281786959 847174068 /nfs/dbraw/zinc/17/40/68/847174068.db2.gz BBFBHOYJZXSOIY-IWSPIJDZSA-N -1 0 361.349 -0.056 20 0 FBADRM CC(=O)CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001281787054 847173948 /nfs/dbraw/zinc/17/39/48/847173948.db2.gz FXYOBVPABDWGFX-MWLCHTKSSA-N -1 0 353.379 -0.588 20 0 FBADRM CCCSCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001281787406 847174247 /nfs/dbraw/zinc/17/42/47/847174247.db2.gz VPBQSIDAIOPQJF-NXEZZACHSA-N -1 0 357.436 -0.204 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C1(CF)CCC1 ZINC001281805812 847179983 /nfs/dbraw/zinc/17/99/83/847179983.db2.gz RTNYZQZMANGZMP-NXEZZACHSA-N -1 0 355.370 -0.208 20 0 FBADRM CO[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C(F)F ZINC001281814858 847181771 /nfs/dbraw/zinc/18/17/71/847181771.db2.gz VVNUNQXIAAIGOB-HTQZYQBOSA-N -1 0 363.321 -0.923 20 0 FBADRM CCCCCC(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1OC ZINC001281815430 847181420 /nfs/dbraw/zinc/18/14/20/847181420.db2.gz LIWDHMGLOQRNSY-GHMZBOCLSA-N -1 0 355.395 -0.388 20 0 FBADRM CO[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)[C@@H](C)SC ZINC001281818667 847184800 /nfs/dbraw/zinc/18/48/00/847184800.db2.gz KVNABPYDPAIHFY-FBIMIBRVSA-N -1 0 370.431 -0.807 20 0 FBADRM CO[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)[C@H](C)SC ZINC001281818669 847185054 /nfs/dbraw/zinc/18/50/54/847185054.db2.gz KVNABPYDPAIHFY-JMJZKYOTSA-N -1 0 370.431 -0.807 20 0 FBADRM C/C=C(/C)C(=O)N[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1OC ZINC001281826901 847192313 /nfs/dbraw/zinc/19/23/13/847192313.db2.gz SDSSZQNOQKWKLI-WZFVEOJDSA-N -1 0 350.375 -0.592 20 0 FBADRM C/C=C(\C)C(=O)N[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1OC ZINC001281826904 847192427 /nfs/dbraw/zinc/19/24/27/847192427.db2.gz SDSSZQNOQKWKLI-YRCSQKNFSA-N -1 0 350.375 -0.592 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C[C@H](C)SC ZINC001281828463 847193668 /nfs/dbraw/zinc/19/36/68/847193668.db2.gz AIKYVSQYRJMJQP-DJLDLDEBSA-N -1 0 371.419 -0.620 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)C[C@@H](C)SC ZINC001281828464 847193819 /nfs/dbraw/zinc/19/38/19/847193819.db2.gz AIKYVSQYRJMJQP-IWSPIJDZSA-N -1 0 371.419 -0.620 20 0 FBADRM CC/C(C)=C/C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1OC ZINC001281835863 847199747 /nfs/dbraw/zinc/19/97/47/847199747.db2.gz UPTHPXKPPBSXHA-UJQHZETGSA-N -1 0 353.379 -0.612 20 0 FBADRM CC/C(C)=C\C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1OC ZINC001281835864 847199386 /nfs/dbraw/zinc/19/93/86/847199386.db2.gz UPTHPXKPPBSXHA-XFDQCWFDSA-N -1 0 353.379 -0.612 20 0 FBADRM CCSCCC(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](OC)C1 ZINC001281845534 847208376 /nfs/dbraw/zinc/20/83/76/847208376.db2.gz BNYMCRVFIBWLDE-RKDXNWHRSA-N -1 0 371.419 -0.618 20 0 FBADRM CC[C@H](C)CC(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](OC)C1 ZINC001281847275 847209673 /nfs/dbraw/zinc/20/96/73/847209673.db2.gz WUBOCTZTCUEYJU-IVZWLZJFSA-N -1 0 353.379 -0.325 20 0 FBADRM CC[C@@H](C)CC(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](OC)C1 ZINC001281847276 847208869 /nfs/dbraw/zinc/20/88/69/847208869.db2.gz WUBOCTZTCUEYJU-OPRDCNLKSA-N -1 0 353.379 -0.325 20 0 FBADRM CCC1(C(=O)N[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2OC)CC1 ZINC001281857088 847214581 /nfs/dbraw/zinc/21/45/81/847214581.db2.gz KPOFWTCLIKINBI-NXEZZACHSA-N -1 0 353.379 -0.779 20 0 FBADRM CCCC(=O)N[C@@H]1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C[C@@H]1O ZINC001281860089 847217790 /nfs/dbraw/zinc/21/77/90/847217790.db2.gz GFGKYBIJOGCLAP-BDAKNGLRSA-N -1 0 353.341 -0.069 20 0 FBADRM CO[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)[C@H](C)C(C)C ZINC001281860957 847217505 /nfs/dbraw/zinc/21/75/05/847217505.db2.gz IRTVMTYDGRLMJB-GMTAPVOTSA-N -1 0 355.395 -0.677 20 0 FBADRM CO[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)[C@@H](C)C(C)C ZINC001281860958 847218001 /nfs/dbraw/zinc/21/80/01/847218001.db2.gz IRTVMTYDGRLMJB-HBNTYKKESA-N -1 0 355.395 -0.677 20 0 FBADRM O=C(COC1CCCC1)N[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@@H]1O ZINC001281866985 847224218 /nfs/dbraw/zinc/22/42/18/847224218.db2.gz YWLKXHOMTWWZCE-OLZOCXBDSA-N -1 0 350.375 -0.557 20 0 FBADRM CCCCCC(=O)N[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1O ZINC001281867229 847225624 /nfs/dbraw/zinc/22/56/24/847225624.db2.gz PBQJXCCEXGSXDJ-NEPJUHHUSA-N -1 0 352.391 -0.632 20 0 FBADRM CS[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@@H]1O ZINC001281867664 847225494 /nfs/dbraw/zinc/22/54/94/847225494.db2.gz SPRZCOJHUKSYLX-QNSHHTMESA-N -1 0 366.399 -0.019 20 0 FBADRM CS[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@@H]1O ZINC001281867665 847225663 /nfs/dbraw/zinc/22/56/63/847225663.db2.gz SPRZCOJHUKSYLX-SFGNSQDASA-N -1 0 366.399 -0.019 20 0 FBADRM CO[C@H](CC(C)C)C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001281879825 847237993 /nfs/dbraw/zinc/23/79/93/847237993.db2.gz CRXPNWKZBGDAHT-GRYCIOLGSA-N -1 0 354.407 -0.214 20 0 FBADRM CO[C@@H](CC(C)C)C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001281879827 847237938 /nfs/dbraw/zinc/23/79/38/847237938.db2.gz CRXPNWKZBGDAHT-WOPDTQHZSA-N -1 0 354.407 -0.214 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C[C@](C)(O)C3CC3)[C@@H](O)C2)c1[O-] ZINC001281879997 847238410 /nfs/dbraw/zinc/23/84/10/847238410.db2.gz FIZMFHWHDZMKCZ-GDLVEWKHSA-N -1 0 352.391 -0.724 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)C[C@@](C)(O)C3CC3)[C@@H](O)C2)c1[O-] ZINC001281879998 847237808 /nfs/dbraw/zinc/23/78/08/847237808.db2.gz FIZMFHWHDZMKCZ-OHUAYANFSA-N -1 0 352.391 -0.724 20 0 FBADRM CCO[C@H](C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1)C(C)C ZINC001281881712 847240331 /nfs/dbraw/zinc/24/03/31/847240331.db2.gz YEIJMCCCXPVUAU-SUNKGSAMSA-N -1 0 354.407 -0.214 20 0 FBADRM CCO[C@@H](C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1)C(C)C ZINC001281881713 847239932 /nfs/dbraw/zinc/23/99/32/847239932.db2.gz YEIJMCCCXPVUAU-UHIISALHSA-N -1 0 354.407 -0.214 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)CCOCC(F)F)[C@@H](O)C2)c1[O-] ZINC001281891008 847249467 /nfs/dbraw/zinc/24/94/67/847249467.db2.gz ACQOVRFSGTVBKT-BDAKNGLRSA-N -1 0 362.333 -0.603 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CN(C(=O)CC2CC2)C[C@@H]1O ZINC001281893959 847253563 /nfs/dbraw/zinc/25/35/63/847253563.db2.gz AOJIATDRGQPYEO-ZJUUUORDSA-N -1 0 365.352 -0.069 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CN(C(=O)C2(C)CC2)C[C@@H]1O ZINC001281894375 847253243 /nfs/dbraw/zinc/25/32/43/847253243.db2.gz JTKVFIOTFTYGOV-BDAKNGLRSA-N -1 0 365.352 -0.069 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)CCc3cscn3)[C@@H](O)C2)c1[O-] ZINC001281904361 847267072 /nfs/dbraw/zinc/26/70/72/847267072.db2.gz DUTBVRKLHYIQCW-MNOVXSKESA-N -1 0 365.415 -0.185 20 0 FBADRM CCOCCC(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001281946277 847304636 /nfs/dbraw/zinc/30/46/36/847304636.db2.gz DMGFUTJMMQHMQR-NXEZZACHSA-N -1 0 351.363 -0.618 20 0 FBADRM CCCSCC(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001281947443 847305639 /nfs/dbraw/zinc/30/56/39/847305639.db2.gz HNTVQNHLHCDEBL-GHMZBOCLSA-N -1 0 369.447 -0.108 20 0 FBADRM CCCOCC(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001281948208 847306280 /nfs/dbraw/zinc/30/62/80/847306280.db2.gz VAMNBGSOECORRU-GHMZBOCLSA-N -1 0 353.379 -0.825 20 0 FBADRM CCOCCC(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001281976738 847315057 /nfs/dbraw/zinc/31/50/57/847315057.db2.gz GSLXWOUNESNZLH-NXEZZACHSA-N -1 0 351.363 -0.618 20 0 FBADRM COCCCC(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001281977053 847314982 /nfs/dbraw/zinc/31/49/82/847314982.db2.gz JRNHSGYUIOSPND-NXEZZACHSA-N -1 0 351.363 -0.618 20 0 FBADRM COCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001281989676 847317574 /nfs/dbraw/zinc/31/75/74/847317574.db2.gz PTVYDBFLRMGZQQ-GHMZBOCLSA-N -1 0 355.395 -0.341 20 0 FBADRM CO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC001282000076 847319356 /nfs/dbraw/zinc/31/93/56/847319356.db2.gz SOVVQWPITYIKST-MVWJERBFSA-N -1 0 352.391 -0.322 20 0 FBADRM CO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC001282000077 847319546 /nfs/dbraw/zinc/31/95/46/847319546.db2.gz SOVVQWPITYIKST-YUSALJHKSA-N -1 0 352.391 -0.322 20 0 FBADRM CC(C)OCC(=O)NC[C@H]1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001282105677 847326291 /nfs/dbraw/zinc/32/62/91/847326291.db2.gz WUCJAMREPWIHCM-WDEREUQCSA-N -1 0 355.395 -0.485 20 0 FBADRM CSCC(=O)N[C@@H]1CC[C@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001282135334 847331313 /nfs/dbraw/zinc/33/13/13/847331313.db2.gz SGAOVABDNXXNHI-VHSXEESVSA-N -1 0 369.447 -0.021 20 0 FBADRM COCCCC(=O)N[C@@H]1CC[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001282143936 847332283 /nfs/dbraw/zinc/33/22/83/847332283.db2.gz WRPDSSCLQTWECD-WDEREUQCSA-N -1 0 355.395 -0.483 20 0 FBADRM CCO[C@H](C)C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1CC ZINC001282245413 847344846 /nfs/dbraw/zinc/34/48/46/847344846.db2.gz GTMXNOHOUKOIAV-KXUCPTDWSA-N -1 0 353.379 -0.183 20 0 FBADRM CCO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1CC ZINC001282245414 847344774 /nfs/dbraw/zinc/34/47/74/847344774.db2.gz GTMXNOHOUKOIAV-LPEHRKFASA-N -1 0 353.379 -0.183 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)COC(C)C)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001282248724 847345835 /nfs/dbraw/zinc/34/58/35/847345835.db2.gz HALWVOOQCBOWSN-WDEREUQCSA-N -1 0 355.395 -0.390 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)CCN1C(=O)COC ZINC001282262898 847348603 /nfs/dbraw/zinc/34/86/03/847348603.db2.gz SOQFLYZIJASNCD-WDEREUQCSA-N -1 0 355.395 -0.388 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CCN1C(=O)COC ZINC001282268006 847349915 /nfs/dbraw/zinc/34/99/15/847349915.db2.gz VMGLVRVTCKFTBP-GXSJLCMTSA-N -1 0 353.379 -0.643 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)[C@@H](C)COC ZINC001282268653 847350969 /nfs/dbraw/zinc/35/09/69/847350969.db2.gz JABUVWKGACSTBL-GARJFASQSA-N -1 0 355.395 -0.533 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)[C@H](C)COC ZINC001282268654 847351332 /nfs/dbraw/zinc/35/13/32/847351332.db2.gz JABUVWKGACSTBL-OUAUKWLOSA-N -1 0 355.395 -0.533 20 0 FBADRM CCOCC(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC001282300477 847357451 /nfs/dbraw/zinc/35/74/51/847357451.db2.gz SJPYLXOAHOPEKB-ZJUUUORDSA-N -1 0 351.363 -0.760 20 0 FBADRM CC(C)SCC(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001282324971 847360103 /nfs/dbraw/zinc/36/01/03/847360103.db2.gz VZWNOKTZJJRQLX-ZJUUUORDSA-N -1 0 357.436 -0.064 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001282345069 847365928 /nfs/dbraw/zinc/36/59/28/847365928.db2.gz NYUYRYQISHWUQX-SFYZADRCSA-N -1 0 359.333 -0.160 20 0 FBADRM COCCCCC(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001282371895 847375068 /nfs/dbraw/zinc/37/50/68/847375068.db2.gz GLVHYQFUMGOERS-ZJUUUORDSA-N -1 0 353.379 -0.181 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)COCC1CC1 ZINC001282371969 847375380 /nfs/dbraw/zinc/37/53/80/847375380.db2.gz HOMHCMBXSDLZNL-SCZZXKLOSA-N -1 0 351.363 -0.571 20 0 FBADRM CCCCOCC(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001282373614 847376263 /nfs/dbraw/zinc/37/62/63/847376263.db2.gz ZQGTWZKTXNOWFO-ZJUUUORDSA-N -1 0 353.379 -0.181 20 0 FBADRM CO[C@@H](C)CCC(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001282374862 847376247 /nfs/dbraw/zinc/37/62/47/847376247.db2.gz LJBNDJVXWWYMMK-AXFHLTTASA-N -1 0 355.395 -0.390 20 0 FBADRM CO[C@H](C)CCC(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001282374863 847375759 /nfs/dbraw/zinc/37/57/59/847375759.db2.gz LJBNDJVXWWYMMK-MXWKQRLJSA-N -1 0 355.395 -0.390 20 0 FBADRM CSC[C@H](C)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001282375397 847375857 /nfs/dbraw/zinc/37/58/57/847375857.db2.gz WLGMLYGVFKBDOO-AEJSXWLSSA-N -1 0 357.436 -0.206 20 0 FBADRM CSC[C@@H](C)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001282375398 847376315 /nfs/dbraw/zinc/37/63/15/847376315.db2.gz WLGMLYGVFKBDOO-BBBLOLIVSA-N -1 0 357.436 -0.206 20 0 FBADRM COCCC(=O)N1C[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@]2(C)C1 ZINC001282447208 847385613 /nfs/dbraw/zinc/38/56/13/847385613.db2.gz JOYNNOSJVKAFDZ-BMIGLBTASA-N -1 0 353.379 -0.967 20 0 FBADRM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C ZINC001282456961 847386894 /nfs/dbraw/zinc/38/68/94/847386894.db2.gz AHMSOXAGKPWBLL-HLUHBDAQSA-N -1 0 351.407 -0.227 20 0 FBADRM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C ZINC001282456971 847386883 /nfs/dbraw/zinc/38/68/83/847386883.db2.gz AHMSOXAGKPWBLL-UBHAPETDSA-N -1 0 351.407 -0.227 20 0 FBADRM COCC(=O)NC[C@@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001282458993 847387108 /nfs/dbraw/zinc/38/71/08/847387108.db2.gz PWYQVBDFGMCQAU-NXEZZACHSA-N -1 0 353.379 -0.928 20 0 FBADRM COCCCC(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001282463467 847388192 /nfs/dbraw/zinc/38/81/92/847388192.db2.gz XXMKYWDDODOIHJ-NXEZZACHSA-N -1 0 353.379 -0.466 20 0 FBADRM COC[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001282466561 847388731 /nfs/dbraw/zinc/38/87/31/847388731.db2.gz DDIBASHTUDVMEI-GMTAPVOTSA-N -1 0 355.395 -0.818 20 0 FBADRM COC[C@H](C)C(=O)NC[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001282466562 847389289 /nfs/dbraw/zinc/38/92/89/847389289.db2.gz DDIBASHTUDVMEI-OUAUKWLOSA-N -1 0 355.395 -0.818 20 0 FBADRM CCCOCC(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001282468825 847389250 /nfs/dbraw/zinc/38/92/50/847389250.db2.gz XJWMLOFEDMJGPN-NXEZZACHSA-N -1 0 353.379 -0.466 20 0 FBADRM CC1CC(C(=O)N2C[C@@H](CNC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H](C)C2)C1 ZINC001282499684 847398248 /nfs/dbraw/zinc/39/82/48/847398248.db2.gz HDQUJDLSNKIZMY-RUJICJSRSA-N -1 0 351.407 -0.054 20 0 FBADRM COCC(=O)NC[C@]12CCC[C@H]1N(C(=O)Cn1c(=O)[n-][nH]c1=O)CC2 ZINC001282570965 847408646 /nfs/dbraw/zinc/40/86/46/847408646.db2.gz LJMBETZKQAOCFY-MEBBXXQBSA-N -1 0 353.379 -0.777 20 0 FBADRM CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001282608809 847415634 /nfs/dbraw/zinc/41/56/34/847415634.db2.gz NREIHPIZALQORR-IMSYWVGJSA-N -1 0 351.363 -0.431 20 0 FBADRM CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001282608810 847415474 /nfs/dbraw/zinc/41/54/74/847415474.db2.gz NREIHPIZALQORR-JXUBOQSCSA-N -1 0 351.363 -0.431 20 0 FBADRM CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001282610024 847415968 /nfs/dbraw/zinc/41/59/68/847415968.db2.gz AGLBZGICHOHCES-UTLUCORTSA-N -1 0 351.363 -0.429 20 0 FBADRM CC(C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001282611508 847415801 /nfs/dbraw/zinc/41/58/01/847415801.db2.gz PAENPFADJUHRGC-UTLUCORTSA-N -1 0 351.363 -0.431 20 0 FBADRM CC[C@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001282612689 847415682 /nfs/dbraw/zinc/41/56/82/847415682.db2.gz ZNQINQFHHLGXRS-KATARQTJSA-N -1 0 351.363 -0.431 20 0 FBADRM CC[C@@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001282612690 847415445 /nfs/dbraw/zinc/41/54/45/847415445.db2.gz ZNQINQFHHLGXRS-XFWSIPNHSA-N -1 0 351.363 -0.431 20 0 FBADRM CCS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(C)c1[O-] ZINC001282642067 847421203 /nfs/dbraw/zinc/42/12/03/847421203.db2.gz OHCVAGKZAZZBBB-VWYCJHECSA-N -1 0 370.431 -0.280 20 0 FBADRM Cc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCS(C)(=O)=O)C3)c1[O-] ZINC001282651296 847422624 /nfs/dbraw/zinc/42/26/24/847422624.db2.gz BKWPKULSUBIOHX-VWYCJHECSA-N -1 0 370.431 -0.280 20 0 FBADRM CSCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)C2 ZINC001282655392 847423741 /nfs/dbraw/zinc/42/37/41/847423741.db2.gz MYXVOWLSBHXGSZ-MIMYLULJSA-N -1 0 367.431 -0.174 20 0 FBADRM CC(C)OCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001282660692 847423704 /nfs/dbraw/zinc/42/37/04/847423704.db2.gz DZXVPUUGOPNORG-UTLUCORTSA-N -1 0 351.363 -0.431 20 0 FBADRM COC[C@@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(C)c1[O-] ZINC001282685304 847425725 /nfs/dbraw/zinc/42/57/25/847425725.db2.gz KFYNPFZBTURUPU-NOOOWODRSA-N -1 0 352.391 -0.053 20 0 FBADRM COC[C@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(C)c1[O-] ZINC001282685306 847425847 /nfs/dbraw/zinc/42/58/47/847425847.db2.gz KFYNPFZBTURUPU-RHYQMDGZSA-N -1 0 352.391 -0.053 20 0 FBADRM CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc([O-])n(C)c1=O ZINC001282698568 847427809 /nfs/dbraw/zinc/42/78/09/847427809.db2.gz YFJDZSXIONERRQ-JLLWLGSASA-N -1 0 350.375 -0.616 20 0 FBADRM COCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001282703361 847429105 /nfs/dbraw/zinc/42/91/05/847429105.db2.gz GKFQPICBLMTCSF-BBBLOLIVSA-N -1 0 351.363 -0.429 20 0 FBADRM COCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001282770868 847438153 /nfs/dbraw/zinc/43/81/53/847438153.db2.gz LSYYECMSGUFIIN-MXWKQRLJSA-N -1 0 353.379 -0.636 20 0 FBADRM CSCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001282771038 847438442 /nfs/dbraw/zinc/43/84/42/847438442.db2.gz OHCAKNWVVHIGLL-BBBLOLIVSA-N -1 0 355.420 -0.310 20 0 FBADRM COCCC(=O)N[C@]12CCC[C@H]1CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001282795594 847440271 /nfs/dbraw/zinc/44/02/71/847440271.db2.gz DHNNEFZMSARFIO-BONVTDFDSA-N -1 0 353.379 -0.777 20 0 FBADRM CCOCC(=O)N[C@]12CCC[C@H]1CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001282799398 847441633 /nfs/dbraw/zinc/44/16/33/847441633.db2.gz YWBYFXMQGXJUBI-BONVTDFDSA-N -1 0 353.379 -0.777 20 0 FBADRM COCCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001282818134 847443918 /nfs/dbraw/zinc/44/39/18/847443918.db2.gz MKKWEMASPPTILI-BONVTDFDSA-N -1 0 353.379 -0.777 20 0 FBADRM CC[C@@H](F)C(=O)N[C@]12CCC[C@H]1CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001282821943 847445116 /nfs/dbraw/zinc/44/51/16/847445116.db2.gz RPMYVEZYNPPXEO-WMFXKJRFSA-N -1 0 355.370 -0.065 20 0 FBADRM CC[C@H](F)C(=O)N[C@]12CCC[C@H]1CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001282821945 847445153 /nfs/dbraw/zinc/44/51/53/847445153.db2.gz RPMYVEZYNPPXEO-YHAQOWFVSA-N -1 0 355.370 -0.065 20 0 FBADRM O=C(NC[C@]12CCC[C@H]1CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C2)C(F)F ZINC001282845255 847449428 /nfs/dbraw/zinc/44/94/28/847449428.db2.gz XTBQXEZRPDWCAX-WJWGPLDTSA-N -1 0 357.317 -0.094 20 0 FBADRM C[C@@H]1OCCO[C@@H]1C(=O)NCCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001283047548 847451665 /nfs/dbraw/zinc/45/16/65/847451665.db2.gz UMOZFQBJTHGZNK-IUCAKERBSA-N -1 0 369.340 -0.520 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001283090218 847453449 /nfs/dbraw/zinc/45/34/49/847453449.db2.gz IKIHQRWNQVJHNV-VHSXEESVSA-N -1 0 351.388 -0.213 20 0 FBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCCCNC(=O)[C@]12C[C@H]1COC2 ZINC001283273378 847455134 /nfs/dbraw/zinc/45/51/34/847455134.db2.gz BGRLDRNGLUIWAI-BONVTDFDSA-N -1 0 353.379 -0.872 20 0 FBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001284295601 847476884 /nfs/dbraw/zinc/47/68/84/847476884.db2.gz USKNQNSQPFRWOC-FYLLDIAZSA-N -1 0 353.379 -0.875 20 0 FBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001284295602 847476814 /nfs/dbraw/zinc/47/68/14/847476814.db2.gz USKNQNSQPFRWOC-QFOLPQNPSA-N -1 0 353.379 -0.875 20 0 FBADRM C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001284331302 847477697 /nfs/dbraw/zinc/47/76/97/847477697.db2.gz CNMJKOCSPXXKQF-PRJMDXOYSA-N -1 0 366.340 -0.814 20 0 FBADRM C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001284331303 847477710 /nfs/dbraw/zinc/47/77/10/847477710.db2.gz CNMJKOCSPXXKQF-RNJXMRFFSA-N -1 0 366.340 -0.814 20 0 FBADRM CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001284561980 847485771 /nfs/dbraw/zinc/48/57/71/847485771.db2.gz LVYMYKNFOKGITO-PWSUYJOCSA-N -1 0 353.379 -0.921 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)NCCN(CC)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001284636255 847488492 /nfs/dbraw/zinc/48/84/92/847488492.db2.gz CEJMNQBEMJDQIX-MNOVXSKESA-N -1 0 355.395 -0.531 20 0 FBADRM CCCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@]12C[C@H]1COC2 ZINC001284711154 847490546 /nfs/dbraw/zinc/49/05/46/847490546.db2.gz VXYSLDKUZORKMY-VFZGTOFNSA-N -1 0 351.363 -0.712 20 0 FBADRM CC[C@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1cnc([O-])n(C)c1=O ZINC001285064326 847501625 /nfs/dbraw/zinc/50/16/25/847501625.db2.gz YEDIJFZVJCEHTO-IEVXNVSRSA-N -1 0 350.375 -0.853 20 0 FBADRM CC[C@@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1cnc([O-])n(C)c1=O ZINC001285064328 847501784 /nfs/dbraw/zinc/50/17/84/847501784.db2.gz YEDIJFZVJCEHTO-PUTJDCORSA-N -1 0 350.375 -0.853 20 0 FBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001287524568 847545925 /nfs/dbraw/zinc/54/59/25/847545925.db2.gz BLSMNKJXTAJQNC-BQBZGAKWSA-N -1 0 355.313 -0.374 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)NCCCN2CCCS2(=O)=O)cc1=O ZINC001287543383 847545575 /nfs/dbraw/zinc/54/55/75/847545575.db2.gz XIEOCWSREKLMGV-UHFFFAOYSA-N -1 0 358.464 -0.083 20 0 FBADRM COC(=O)CCNC(=O)CCNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001287635023 847547036 /nfs/dbraw/zinc/54/70/36/847547036.db2.gz NETBSXMUHMAAJV-UHFFFAOYSA-N -1 0 354.407 -0.440 20 0 FBADRM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001287670458 847547567 /nfs/dbraw/zinc/54/75/67/847547567.db2.gz NSQKSUARNCURNA-JLIMGVALSA-N -1 0 351.363 -0.573 20 0 FBADRM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001287670459 847547952 /nfs/dbraw/zinc/54/79/52/847547952.db2.gz NSQKSUARNCURNA-KYXWUPHJSA-N -1 0 351.363 -0.573 20 0 FBADRM O=C([N-]Cc1ccc(C(=O)N2CC(=O)NCC23COC3)o1)C(F)(F)F ZINC001288526717 847574073 /nfs/dbraw/zinc/57/40/73/847574073.db2.gz OTYWWVMYECGAHJ-UHFFFAOYSA-N -1 0 361.276 -0.201 20 0 FBADRM COCCOCC(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001288938480 847583225 /nfs/dbraw/zinc/58/32/25/847583225.db2.gz WXKMKCKKELCZKW-NWDGAFQWSA-N -1 0 352.391 -0.240 20 0 FBADRM COC(=O)NCC(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001288938564 847582799 /nfs/dbraw/zinc/58/27/99/847582799.db2.gz ZRWWJBBWDOCXBI-VHSXEESVSA-N -1 0 351.363 -0.547 20 0 FBADRM CNC(=O)NCC(=O)N1CC[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001288958266 847585850 /nfs/dbraw/zinc/58/58/50/847585850.db2.gz NKSBYQGFEJWZJV-VHSXEESVSA-N -1 0 350.379 -0.974 20 0 FBADRM CCO[C@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001288978875 847589254 /nfs/dbraw/zinc/58/92/54/847589254.db2.gz LZMPGPUJCARHFZ-KXUCPTDWSA-N -1 0 351.363 -0.619 20 0 FBADRM CCO[C@@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001288978876 847589244 /nfs/dbraw/zinc/58/92/44/847589244.db2.gz LZMPGPUJCARHFZ-LPEHRKFASA-N -1 0 351.363 -0.619 20 0 FBADRM CO[C@H](C)CC(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001288979733 847589439 /nfs/dbraw/zinc/58/94/39/847589439.db2.gz WMWNISFBICUYKO-KXUCPTDWSA-N -1 0 351.363 -0.619 20 0 FBADRM CO[C@@H](C)CC(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001288979735 847589354 /nfs/dbraw/zinc/58/93/54/847589354.db2.gz WMWNISFBICUYKO-LPEHRKFASA-N -1 0 351.363 -0.619 20 0 FBADRM COC[C@H](C)C(=O)N1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001288980957 847589312 /nfs/dbraw/zinc/58/93/12/847589312.db2.gz LSMLGILLRZSOQE-GARJFASQSA-N -1 0 353.379 -0.969 20 0 FBADRM COC[C@@H](C)C(=O)N1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001288980958 847589061 /nfs/dbraw/zinc/58/90/61/847589061.db2.gz LSMLGILLRZSOQE-OUAUKWLOSA-N -1 0 353.379 -0.969 20 0 FBADRM CCSCCC(=O)N1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001288981149 847589290 /nfs/dbraw/zinc/58/92/90/847589290.db2.gz RONWZGAJGVEWAV-WDEREUQCSA-N -1 0 369.447 -0.108 20 0 FBADRM COCCn1[n-]nnc1=NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC001289014026 847597680 /nfs/dbraw/zinc/59/76/80/847597680.db2.gz IIVHJBIXLDTLEY-UHFFFAOYSA-N -1 0 361.330 -0.010 20 0 FBADRM CO[C@H](CC(C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001289049423 847612267 /nfs/dbraw/zinc/61/22/67/847612267.db2.gz CRXPNWKZBGDAHT-IJLUTSLNSA-N -1 0 354.407 -0.214 20 0 FBADRM CO[C@@H](CC(C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001289049612 847612610 /nfs/dbraw/zinc/61/26/10/847612610.db2.gz CRXPNWKZBGDAHT-UTUOFQBUSA-N -1 0 354.407 -0.214 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[C@@](C)(O)C3CC3)C2)c1[O-] ZINC001289051050 847613422 /nfs/dbraw/zinc/61/34/22/847613422.db2.gz FIZMFHWHDZMKCZ-GLKRBJQHSA-N -1 0 352.391 -0.724 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[C@](C)(O)C3CC3)C2)c1[O-] ZINC001289051053 847613368 /nfs/dbraw/zinc/61/33/68/847613368.db2.gz FIZMFHWHDZMKCZ-UVWXRNBGSA-N -1 0 352.391 -0.724 20 0 FBADRM COCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)CCC1 ZINC001289052657 847614398 /nfs/dbraw/zinc/61/43/98/847614398.db2.gz WOEQLEHJIFUPGZ-GHMZBOCLSA-N -1 0 352.391 -0.458 20 0 FBADRM O=C(CCCF)N1C[C@@H](O)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001289075592 847623936 /nfs/dbraw/zinc/62/39/36/847623936.db2.gz ZKAMZUAMCMKREL-GHMZBOCLSA-N -1 0 351.338 -0.926 20 0 FBADRM CO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1 ZINC001289089586 847631192 /nfs/dbraw/zinc/63/11/92/847631192.db2.gz BZFBBYLFXHVNRC-DJLDLDEBSA-N -1 0 369.340 -0.834 20 0 FBADRM CO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1 ZINC001289089587 847630884 /nfs/dbraw/zinc/63/08/84/847630884.db2.gz BZFBBYLFXHVNRC-IWSPIJDZSA-N -1 0 369.340 -0.834 20 0 FBADRM CCO[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1)C1CC1 ZINC001289110267 847639659 /nfs/dbraw/zinc/63/96/59/847639659.db2.gz GBKXXAAZVOXYGO-JHJVBQTASA-N -1 0 350.375 -0.701 20 0 FBADRM CCO[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1)C1CC1 ZINC001289110268 847639612 /nfs/dbraw/zinc/63/96/12/847639612.db2.gz GBKXXAAZVOXYGO-UPJWGTAASA-N -1 0 350.375 -0.701 20 0 FBADRM COCC(C)(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001289110407 847639583 /nfs/dbraw/zinc/63/95/83/847639583.db2.gz HBERYTBXMZYDGE-VXGBXAGGSA-N -1 0 352.391 -0.454 20 0 FBADRM CC(C)COCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001289110790 847639560 /nfs/dbraw/zinc/63/95/60/847639560.db2.gz KSBIDJSICQYFHC-CHWSQXEVSA-N -1 0 352.391 -0.454 20 0 FBADRM CC[C@H](OC)C(=O)N[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC001289257323 847679777 /nfs/dbraw/zinc/67/97/77/847679777.db2.gz RFONPPULGRAAFE-JLLWLGSASA-N -1 0 352.391 -0.512 20 0 FBADRM CC[C@@H](OC)C(=O)N[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC001289257324 847679590 /nfs/dbraw/zinc/67/95/90/847679590.db2.gz RFONPPULGRAAFE-YUSALJHKSA-N -1 0 352.391 -0.512 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)CCC(F)(F)F ZINC001289267839 847680784 /nfs/dbraw/zinc/68/07/84/847680784.db2.gz GFDYOZBVTQJWDZ-HTQZYQBOSA-N -1 0 365.312 -0.005 20 0 FBADRM COC[C@H](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001289373616 847696688 /nfs/dbraw/zinc/69/66/88/847696688.db2.gz BSTUYJJHRCKOJS-GMTAPVOTSA-N -1 0 355.395 -0.675 20 0 FBADRM COC[C@@H](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001289373617 847697947 /nfs/dbraw/zinc/69/79/47/847697947.db2.gz BSTUYJJHRCKOJS-HBNTYKKESA-N -1 0 355.395 -0.675 20 0 FBADRM C[C@H](C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C)C(F)(F)F ZINC001289385326 847698869 /nfs/dbraw/zinc/69/88/69/847698869.db2.gz VVFYFKOKLKDYHN-BWZBUEFSSA-N -1 0 365.312 -0.149 20 0 FBADRM C[C@@H](C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C)C(F)(F)F ZINC001289385327 847698711 /nfs/dbraw/zinc/69/87/11/847698711.db2.gz VVFYFKOKLKDYHN-GJMOJQLCSA-N -1 0 365.312 -0.149 20 0 FBADRM COC[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001289400546 847700993 /nfs/dbraw/zinc/70/09/93/847700993.db2.gz YWHIYDPEPMXEQI-IVZWLZJFSA-N -1 0 353.379 -0.468 20 0 FBADRM COC[C@H](C)CC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001289400547 847700879 /nfs/dbraw/zinc/70/08/79/847700879.db2.gz YWHIYDPEPMXEQI-OPRDCNLKSA-N -1 0 353.379 -0.468 20 0 FBADRM CO[N-]C(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001289429508 847702982 /nfs/dbraw/zinc/70/29/82/847702982.db2.gz GQRPRKKAFNCPJN-UHFFFAOYSA-N -1 0 355.416 -0.119 20 0 FBADRM CO[N-]C(=O)CNC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC001289429781 847703334 /nfs/dbraw/zinc/70/33/34/847703334.db2.gz JLGJJRRPKJLNEL-HWPZZCPQSA-N -1 0 354.407 -0.083 20 0 FBADRM CO[N-]C(=O)CNC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC001289429783 847703122 /nfs/dbraw/zinc/70/31/22/847703122.db2.gz JLGJJRRPKJLNEL-MGPLVRAMSA-N -1 0 354.407 -0.083 20 0 FBADRM CO[N-]C(=O)CNC(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC001289429786 847703590 /nfs/dbraw/zinc/70/35/90/847703590.db2.gz JLGJJRRPKJLNEL-QFYYESIMSA-N -1 0 354.407 -0.083 20 0 FBADRM CO[N-]C(=O)CNC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC001289429788 847703600 /nfs/dbraw/zinc/70/36/00/847703600.db2.gz JLGJJRRPKJLNEL-QLJPJBMISA-N -1 0 354.407 -0.083 20 0 FBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC001289429966 847702973 /nfs/dbraw/zinc/70/29/73/847702973.db2.gz MLQQVCVZPUHDBX-GFCCVEGCSA-N -1 0 355.416 -0.119 20 0 FBADRM CO[N-]C(=O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC001289429967 847703303 /nfs/dbraw/zinc/70/33/03/847703303.db2.gz MLQQVCVZPUHDBX-LBPRGKRZSA-N -1 0 355.416 -0.119 20 0 FBADRM CO[N-]C(=O)CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC001289430288 847703430 /nfs/dbraw/zinc/70/34/30/847703430.db2.gz RNCOIWVWENHQKX-UHFFFAOYSA-N -1 0 365.795 -0.071 20 0 FBADRM CO[N-]C(=O)CNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001289430293 847703061 /nfs/dbraw/zinc/70/30/61/847703061.db2.gz RTNIPMZOXWRQRT-UHFFFAOYSA-N -1 0 358.372 -0.585 20 0 FBADRM CO[N-]C(=O)CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC001289430602 847703253 /nfs/dbraw/zinc/70/32/53/847703253.db2.gz VBKVZQAOSMHZRA-UHFFFAOYSA-N -1 0 353.356 -0.599 20 0 FBADRM CO[N-]C(=O)CNC(=O)[C@H]1COCCN1C(=O)OCc1ccccc1 ZINC001289431085 847704234 /nfs/dbraw/zinc/70/42/34/847704234.db2.gz OTHXACWNQRLCOQ-CYBMUJFWSA-N -1 0 351.359 -0.182 20 0 FBADRM CO[N-]C(=O)CNC(=O)[C@@H]1COCCN1C(=O)OCc1ccccc1 ZINC001289431088 847704377 /nfs/dbraw/zinc/70/43/77/847704377.db2.gz OTHXACWNQRLCOQ-ZDUSSCGKSA-N -1 0 351.359 -0.182 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)CCC(C)C ZINC001289444194 847707158 /nfs/dbraw/zinc/70/71/58/847707158.db2.gz XUZSFRSZNRKYCA-NXEZZACHSA-N -1 0 353.379 -0.325 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)CC(C)(C)C ZINC001289444876 847707093 /nfs/dbraw/zinc/70/70/93/847707093.db2.gz JYSJMMOPXPPHSQ-RKDXNWHRSA-N -1 0 353.379 -0.325 20 0 FBADRM CC/C=C(\C)C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1OC ZINC001289451165 847710347 /nfs/dbraw/zinc/71/03/47/847710347.db2.gz UMPWVHXDOMRUQQ-UJQHZETGSA-N -1 0 353.379 -0.612 20 0 FBADRM CC/C=C(/C)C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1OC ZINC001289451166 847710484 /nfs/dbraw/zinc/71/04/84/847710484.db2.gz UMPWVHXDOMRUQQ-XFDQCWFDSA-N -1 0 353.379 -0.612 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1NC(=O)C(=O)C(C)(C)C ZINC001289459799 847713310 /nfs/dbraw/zinc/71/33/10/847713310.db2.gz AAIPCCPHXOFIDU-NXEZZACHSA-N -1 0 352.391 -0.005 20 0 FBADRM COC[C@@H](OC)C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](OC)C1 ZINC001289466029 847715876 /nfs/dbraw/zinc/71/58/76/847715876.db2.gz LZHZQCDBFBSFMZ-GMTAPVOTSA-N -1 0 356.379 -0.959 20 0 FBADRM COC[C@H](OC)C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](OC)C1 ZINC001289466030 847716022 /nfs/dbraw/zinc/71/60/22/847716022.db2.gz LZHZQCDBFBSFMZ-MXWKQRLJSA-N -1 0 356.379 -0.959 20 0 FBADRM CC[C@H](SC)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1OC ZINC001289466388 847715406 /nfs/dbraw/zinc/71/54/06/847715406.db2.gz PWTWNIXLDVZIAU-HLTSFMKQSA-N -1 0 371.419 -0.620 20 0 FBADRM CC[C@@H](SC)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1OC ZINC001289466389 847715593 /nfs/dbraw/zinc/71/55/93/847715593.db2.gz PWTWNIXLDVZIAU-IWSPIJDZSA-N -1 0 371.419 -0.620 20 0 FBADRM CO[C@H](C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1OC)C1CC1 ZINC001289473348 847717660 /nfs/dbraw/zinc/71/76/60/847717660.db2.gz MQXTXAMTPNZLOT-GYSYKLTISA-N -1 0 352.391 -0.196 20 0 FBADRM CO[C@@H](C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1OC)C1CC1 ZINC001289473351 847717686 /nfs/dbraw/zinc/71/76/86/847717686.db2.gz MQXTXAMTPNZLOT-JTNHKYCSSA-N -1 0 352.391 -0.196 20 0 FBADRM COCCC1(C(=O)N2C[C@@H](NC(=O)c3cn[nH]n3)[C@H](OC)C2)CCC1 ZINC001289507671 847727666 /nfs/dbraw/zinc/72/76/66/847727666.db2.gz YVUNPXPTLHNNFG-CHWSQXEVSA-N -1 0 351.407 -0.033 20 0 FBADRM C[C@]12CN(C(=O)c3ccc([N-]S(C)(=O)=O)nc3)C[C@H]1CS(=O)(=O)C2 ZINC001289511517 847728873 /nfs/dbraw/zinc/72/88/73/847728873.db2.gz RDWXIIMVAXYMAF-SMDDNHRTSA-N -1 0 373.456 -0.040 20 0 FBADRM CCCSCC(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](OC)C1 ZINC001289518680 847731332 /nfs/dbraw/zinc/73/13/32/847731332.db2.gz PRKVWMBEDHEUCS-RKDXNWHRSA-N -1 0 371.419 -0.618 20 0 FBADRM CO[C@@H]1CN(C(=O)CCC(C)C)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001289519805 847732016 /nfs/dbraw/zinc/73/20/16/847732016.db2.gz LRNWQSYALXKDEF-GHMZBOCLSA-N -1 0 355.395 -0.533 20 0 FBADRM CC[C@@H](C)CC(=O)N1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](OC)C1 ZINC001289520623 847732549 /nfs/dbraw/zinc/73/25/49/847732549.db2.gz YQTADWNTYWVPON-GMTAPVOTSA-N -1 0 355.395 -0.533 20 0 FBADRM CC[C@H](C)CC(=O)N1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](OC)C1 ZINC001289520624 847732174 /nfs/dbraw/zinc/73/21/74/847732174.db2.gz YQTADWNTYWVPON-HBNTYKKESA-N -1 0 355.395 -0.533 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1ncc(Br)cn1 ZINC001289534866 847735709 /nfs/dbraw/zinc/73/57/09/847735709.db2.gz XCEMHVAKVZQYLC-UHFFFAOYSA-N -1 0 364.163 -0.060 20 0 FBADRM CCC1(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2OC)CC1 ZINC001289542563 847737786 /nfs/dbraw/zinc/73/77/86/847737786.db2.gz ZSZMRZOYHMKXLE-RKDXNWHRSA-N -1 0 351.363 -0.571 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)COC3CCCC3)[C@@H](O)C2)c1[O-] ZINC001289571673 847747860 /nfs/dbraw/zinc/74/78/60/847747860.db2.gz DBOSKDCSDUZVPA-NEPJUHHUSA-N -1 0 352.391 -0.316 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)CCOCC(C)C)[C@@H](O)C2)c1[O-] ZINC001289571730 847747674 /nfs/dbraw/zinc/74/76/74/847747674.db2.gz PWSKHJYDSWSSFS-NEPJUHHUSA-N -1 0 354.407 -0.212 20 0 FBADRM CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@@H]1O ZINC001289576900 847749704 /nfs/dbraw/zinc/74/97/04/847749704.db2.gz KCAIUBMHVLSXHK-QNSHHTMESA-N -1 0 350.331 -0.735 20 0 FBADRM CO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@@H]1O ZINC001289576903 847749510 /nfs/dbraw/zinc/74/95/10/847749510.db2.gz KCAIUBMHVLSXHK-SFGNSQDASA-N -1 0 350.331 -0.735 20 0 FBADRM CCO[C@H](C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1)C1CC1 ZINC001289600325 847759001 /nfs/dbraw/zinc/75/90/01/847759001.db2.gz JELJISWMFMQVIC-SUNKGSAMSA-N -1 0 352.391 -0.460 20 0 FBADRM CCO[C@@H](C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1)C1CC1 ZINC001289600326 847759105 /nfs/dbraw/zinc/75/91/05/847759105.db2.gz JELJISWMFMQVIC-UHIISALHSA-N -1 0 352.391 -0.460 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CCCOC(C)C)C[C@@H]2O)c1[O-] ZINC001289600847 847759183 /nfs/dbraw/zinc/75/91/83/847759183.db2.gz PWFBKLNHLSLQGI-NEPJUHHUSA-N -1 0 354.407 -0.070 20 0 FBADRM CCC[C@@H](OCC)C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001289601091 847759086 /nfs/dbraw/zinc/75/90/86/847759086.db2.gz SGUSCNOXWBGKLI-GRYCIOLGSA-N -1 0 354.407 -0.070 20 0 FBADRM CCC[C@H](OCC)C(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001289601104 847759139 /nfs/dbraw/zinc/75/91/39/847759139.db2.gz SGUSCNOXWBGKLI-WOPDTQHZSA-N -1 0 354.407 -0.070 20 0 FBADRM C[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@@H](O)C1 ZINC001289638086 847773196 /nfs/dbraw/zinc/77/31/96/847773196.db2.gz JEZCDFAYQXNRPI-KYXWUPHJSA-N -1 0 365.352 -0.213 20 0 FBADRM CC(C)(F)C(=O)N1C[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@@H](O)C1 ZINC001289638559 847772927 /nfs/dbraw/zinc/77/29/27/847772927.db2.gz UWWDEBIXDHXSLV-SFYZADRCSA-N -1 0 371.331 -0.121 20 0 FBADRM COCCC1(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]2O)CC1 ZINC001289641569 847774292 /nfs/dbraw/zinc/77/42/92/847774292.db2.gz UQQSACUWXQAVGG-MNOVXSKESA-N -1 0 352.391 -0.458 20 0 FBADRM COCCC(=O)N1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H](O)C1 ZINC001289685641 847796359 /nfs/dbraw/zinc/79/63/59/847796359.db2.gz FLVOUNJTSMYKSD-ZJUUUORDSA-N -1 0 350.331 -0.734 20 0 FBADRM COCCC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1O ZINC001289724040 847811592 /nfs/dbraw/zinc/81/15/92/847811592.db2.gz SCNCZJUHHSIRLD-MNOVXSKESA-N -1 0 354.407 -0.212 20 0 FBADRM CC(C)SCC(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001289760792 847823414 /nfs/dbraw/zinc/82/34/14/847823414.db2.gz SJDZPHFKZOSTTC-GHMZBOCLSA-N -1 0 369.447 -0.110 20 0 FBADRM CCCOCC(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001289766915 847824358 /nfs/dbraw/zinc/82/43/58/847824358.db2.gz GUPRMMYWBDKQRR-NXEZZACHSA-N -1 0 351.363 -0.618 20 0 FBADRM CO[C@@H](C)CC(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001289772250 847824564 /nfs/dbraw/zinc/82/45/64/847824564.db2.gz JFRFMTKVKMEFHO-IVZWLZJFSA-N -1 0 351.363 -0.619 20 0 FBADRM CO[C@H](C)CC(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001289772251 847824521 /nfs/dbraw/zinc/82/45/21/847824521.db2.gz JFRFMTKVKMEFHO-OPRDCNLKSA-N -1 0 351.363 -0.619 20 0 FBADRM COCCOCC(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001289774946 847824572 /nfs/dbraw/zinc/82/45/72/847824572.db2.gz XVYZPPAVEIHCAC-VXGBXAGGSA-N -1 0 352.391 -0.240 20 0 FBADRM CS[C@H](C)CC(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001289781955 847825382 /nfs/dbraw/zinc/82/53/82/847825382.db2.gz QAZMBXBUQHQCBA-GMTAPVOTSA-N -1 0 369.447 -0.110 20 0 FBADRM CS[C@@H](C)CC(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001289781956 847825101 /nfs/dbraw/zinc/82/51/01/847825101.db2.gz QAZMBXBUQHQCBA-HBNTYKKESA-N -1 0 369.447 -0.110 20 0 FBADRM CSCCC(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001289830011 847832264 /nfs/dbraw/zinc/83/22/64/847832264.db2.gz RKUKQZOTGNFDAK-RKDXNWHRSA-N -1 0 353.404 -0.291 20 0 FBADRM COC[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001289830444 847832801 /nfs/dbraw/zinc/83/28/01/847832801.db2.gz WILDSZVACPFECV-IVZWLZJFSA-N -1 0 351.363 -0.762 20 0 FBADRM COC[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001289830445 847832186 /nfs/dbraw/zinc/83/21/86/847832186.db2.gz WILDSZVACPFECV-OPRDCNLKSA-N -1 0 351.363 -0.762 20 0 FBADRM CCO[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001289833059 847832583 /nfs/dbraw/zinc/83/25/83/847832583.db2.gz GIKHAFMQXPBZOY-GMTAPVOTSA-N -1 0 353.379 -0.826 20 0 FBADRM CCO[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001289833060 847832680 /nfs/dbraw/zinc/83/26/80/847832680.db2.gz GIKHAFMQXPBZOY-HBNTYKKESA-N -1 0 353.379 -0.826 20 0 FBADRM CO[C@H](C)CC(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001289833662 847832545 /nfs/dbraw/zinc/83/25/45/847832545.db2.gz VNRWYLQDSJYDDJ-GMTAPVOTSA-N -1 0 353.379 -0.826 20 0 FBADRM CO[C@@H](C)CC(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001289833663 847832471 /nfs/dbraw/zinc/83/24/71/847832471.db2.gz VNRWYLQDSJYDDJ-HBNTYKKESA-N -1 0 353.379 -0.826 20 0 FBADRM COC(=O)[C@]1(CNC(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCOC1 ZINC001289881715 847836582 /nfs/dbraw/zinc/83/65/82/847836582.db2.gz FFNQWGHNWVBETD-AWEZNQCLSA-N -1 0 357.388 -0.237 20 0 FBADRM COC(=O)[C@@]1(CNC(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCOC1 ZINC001289881716 847836322 /nfs/dbraw/zinc/83/63/22/847836322.db2.gz FFNQWGHNWVBETD-CQSZACIVSA-N -1 0 357.388 -0.237 20 0 FBADRM CC[C@@H](OC)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001289886244 847836515 /nfs/dbraw/zinc/83/65/15/847836515.db2.gz IEHHECYLVGQDQU-GMTAPVOTSA-N -1 0 355.395 -0.342 20 0 FBADRM CC[C@H](OC)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001289886245 847836575 /nfs/dbraw/zinc/83/65/75/847836575.db2.gz IEHHECYLVGQDQU-MXWKQRLJSA-N -1 0 355.395 -0.342 20 0 FBADRM CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001290087145 847843034 /nfs/dbraw/zinc/84/30/34/847843034.db2.gz IDGDRWBBOCVCIG-ADEWGFFLSA-N -1 0 351.407 -0.037 20 0 FBADRM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001290087146 847843056 /nfs/dbraw/zinc/84/30/56/847843056.db2.gz IDGDRWBBOCVCIG-ZMLRMANQSA-N -1 0 351.407 -0.037 20 0 FBADRM CO[C@@H](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001290106025 847844381 /nfs/dbraw/zinc/84/43/81/847844381.db2.gz NVBYHNIULAOCBV-GARJFASQSA-N -1 0 355.395 -0.485 20 0 FBADRM CO[C@H](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001290106026 847843750 /nfs/dbraw/zinc/84/37/50/847843750.db2.gz NVBYHNIULAOCBV-OUAUKWLOSA-N -1 0 355.395 -0.485 20 0 FBADRM CO[C@@H](C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001290188635 847851578 /nfs/dbraw/zinc/85/15/78/847851578.db2.gz PQZUEDHQSYGDBM-GARJFASQSA-N -1 0 355.395 -0.485 20 0 FBADRM CO[C@H](C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001290188636 847851574 /nfs/dbraw/zinc/85/15/74/847851574.db2.gz PQZUEDHQSYGDBM-OUAUKWLOSA-N -1 0 355.395 -0.485 20 0 FBADRM CCO[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(C)=O ZINC001290261674 847858253 /nfs/dbraw/zinc/85/82/53/847858253.db2.gz CHSHMDGQUJPSTJ-VXGBXAGGSA-N -1 0 355.395 -0.531 20 0 FBADRM CCO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1CNC(=O)C(C)C ZINC001290263468 847858267 /nfs/dbraw/zinc/85/82/67/847858267.db2.gz PAHFPIUBWAOGKY-NXEZZACHSA-N -1 0 353.379 -0.468 20 0 FBADRM CO[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001290284837 847860451 /nfs/dbraw/zinc/86/04/51/847860451.db2.gz CQUVQYMVBSBFSK-MXWKQRLJSA-N -1 0 355.395 -0.533 20 0 FBADRM CO[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001290284838 847860153 /nfs/dbraw/zinc/86/01/53/847860153.db2.gz CQUVQYMVBSBFSK-VWYCJHECSA-N -1 0 355.395 -0.533 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)CCOC)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC001290385190 847863864 /nfs/dbraw/zinc/86/38/64/847863864.db2.gz OATHZZLVZKAHJD-NWDGAFQWSA-N -1 0 352.391 -0.368 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)C[C@@H](C)OC)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001290400376 847866180 /nfs/dbraw/zinc/86/61/80/847866180.db2.gz PHZZGKUZSNCGKT-KXUCPTDWSA-N -1 0 353.379 -0.183 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)C[C@H](C)OC)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001290400377 847866152 /nfs/dbraw/zinc/86/61/52/847866152.db2.gz PHZZGKUZSNCGKT-LPEHRKFASA-N -1 0 353.379 -0.183 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)CCSC ZINC001290453533 847871313 /nfs/dbraw/zinc/87/13/13/847871313.db2.gz JGSUWTDOXWCZOQ-VHSXEESVSA-N -1 0 357.436 -0.062 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001290459580 847872409 /nfs/dbraw/zinc/87/24/09/847872409.db2.gz QHHFUYMOJRILLM-UHFFFAOYSA-N -1 0 355.376 -0.744 20 0 FBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC001290476341 847873537 /nfs/dbraw/zinc/87/35/37/847873537.db2.gz FDGBCCRPIKTWSI-UHFFFAOYSA-N -1 0 352.395 -0.171 20 0 FBADRM COCCC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@@H]2C1 ZINC001290485959 847873399 /nfs/dbraw/zinc/87/33/99/847873399.db2.gz CHRHXDUDAFGQGD-ZJUUUORDSA-N -1 0 351.363 -0.760 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC001290492572 847874151 /nfs/dbraw/zinc/87/41/51/847874151.db2.gz VSWASQXBMGRHBM-UHFFFAOYSA-N -1 0 353.360 -0.132 20 0 FBADRM CSCCC(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC001290527671 847877428 /nfs/dbraw/zinc/87/74/28/847877428.db2.gz HHIUJSNLXKWZFK-ZJUUUORDSA-N -1 0 367.431 -0.044 20 0 FBADRM O=C(CCCF)N1C[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC[C@@H]2C1 ZINC001290532529 847877171 /nfs/dbraw/zinc/87/71/71/847877171.db2.gz LIMOCAWTXJRESU-MNOVXSKESA-N -1 0 355.370 -0.254 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cn1 ZINC001290539861 847878405 /nfs/dbraw/zinc/87/84/05/847878405.db2.gz GBXXSWPRBDIXRG-UHFFFAOYSA-N -1 0 367.387 -0.733 20 0 FBADRM COCCC(=O)N[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001290574938 847879662 /nfs/dbraw/zinc/87/96/62/847879662.db2.gz XTULJSJWCIQEMQ-MNOVXSKESA-N -1 0 355.395 -0.388 20 0 FBADRM CO[C@H](C)C(=O)N[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001290589074 847880865 /nfs/dbraw/zinc/88/08/65/847880865.db2.gz RTZNRVIKXYITGD-MXWKQRLJSA-N -1 0 355.395 -0.390 20 0 FBADRM CO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001290589084 847880919 /nfs/dbraw/zinc/88/09/19/847880919.db2.gz RTZNRVIKXYITGD-VWYCJHECSA-N -1 0 355.395 -0.390 20 0 FBADRM COC[C@@H](C)C(=O)N[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)[C@@H]1C ZINC001290596384 847881634 /nfs/dbraw/zinc/88/16/34/847881634.db2.gz SSWXVEBIGDYZQT-FOGDFJRCSA-N -1 0 352.391 -0.512 20 0 FBADRM COC[C@H](C)C(=O)N[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)[C@@H]1C ZINC001290596385 847881785 /nfs/dbraw/zinc/88/17/85/847881785.db2.gz SSWXVEBIGDYZQT-UMNHJUIQSA-N -1 0 352.391 -0.512 20 0 FBADRM CC[C@H](C)OCC(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001290604259 847882909 /nfs/dbraw/zinc/88/29/09/847882909.db2.gz MYDPFBDHMOVHBK-AXFHLTTASA-N -1 0 355.395 -0.390 20 0 FBADRM CC[C@@H](C)OCC(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001290604260 847882687 /nfs/dbraw/zinc/88/26/87/847882687.db2.gz MYDPFBDHMOVHBK-MXWKQRLJSA-N -1 0 355.395 -0.390 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)COC(C)(C)C)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001290607786 847883514 /nfs/dbraw/zinc/88/35/14/847883514.db2.gz MOFOMEWTDIPXDE-BDAKNGLRSA-N -1 0 353.379 -0.183 20 0 FBADRM CS[C@@H](C)CC(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001290607892 847883719 /nfs/dbraw/zinc/88/37/19/847883719.db2.gz PANOAQWLWHYGMH-AEJSXWLSSA-N -1 0 357.436 -0.064 20 0 FBADRM CS[C@H](C)CC(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001290607897 847883893 /nfs/dbraw/zinc/88/38/93/847883893.db2.gz PANOAQWLWHYGMH-BBBLOLIVSA-N -1 0 357.436 -0.064 20 0 FBADRM CO[C@H](C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C)C1CC1 ZINC001290615696 847884652 /nfs/dbraw/zinc/88/46/52/847884652.db2.gz SCYLYIZRFAZHKI-HDBBIHSSSA-N -1 0 351.363 -0.573 20 0 FBADRM CO[C@@H](C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C)C1CC1 ZINC001290615702 847884745 /nfs/dbraw/zinc/88/47/45/847884745.db2.gz SCYLYIZRFAZHKI-POZPLHJXSA-N -1 0 351.363 -0.573 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)CO[C@@H]3CCOC3)[C@H]2C)c1[O-] ZINC001290624987 847885271 /nfs/dbraw/zinc/88/52/71/847885271.db2.gz FDKHZAOBMAUZLI-UTUOFQBUSA-N -1 0 352.391 -0.052 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)CO[C@H]3CCOC3)[C@H]2C)c1[O-] ZINC001290624990 847885351 /nfs/dbraw/zinc/88/53/51/847885351.db2.gz FDKHZAOBMAUZLI-WOPDTQHZSA-N -1 0 352.391 -0.052 20 0 FBADRM CCN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001290644298 847890295 /nfs/dbraw/zinc/89/02/95/847890295.db2.gz GBERAGQERXNGHG-GFCCVEGCSA-N -1 0 350.404 -0.276 20 0 FBADRM CCN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)[C@H]1CCS(=O)(=O)C1 ZINC001290644299 847890154 /nfs/dbraw/zinc/89/01/54/847890154.db2.gz GBERAGQERXNGHG-LBPRGKRZSA-N -1 0 350.404 -0.276 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2c[n-]ncc2=O)CC1 ZINC001290654387 847892293 /nfs/dbraw/zinc/89/22/93/847892293.db2.gz VEUWMNCISFMDCE-UHFFFAOYSA-N -1 0 367.387 -0.066 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CCN1C(=O)C(C)(F)F ZINC001290670220 847894064 /nfs/dbraw/zinc/89/40/64/847894064.db2.gz ZEYRQTVLFUFAPX-SFYZADRCSA-N -1 0 359.333 -0.024 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)COCC(F)F)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001290678662 847895291 /nfs/dbraw/zinc/89/52/91/847895291.db2.gz SKXODMUBDQYKMC-SFYZADRCSA-N -1 0 363.321 -0.923 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)COCC(F)F ZINC001290683895 847896389 /nfs/dbraw/zinc/89/63/89/847896389.db2.gz HNQBAEIBOKNDEW-RQJHMYQMSA-N -1 0 361.305 -0.716 20 0 FBADRM CCC[C@@H](OC)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001290690413 847897307 /nfs/dbraw/zinc/89/73/07/847897307.db2.gz ITXKVOSWVCRYPN-OUAUKWLOSA-N -1 0 355.395 -0.390 20 0 FBADRM CCC[C@H](OC)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001290690414 847897639 /nfs/dbraw/zinc/89/76/39/847897639.db2.gz ITXKVOSWVCRYPN-VWYCJHECSA-N -1 0 355.395 -0.390 20 0 FBADRM CCC[C@@H](OC)C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001290690555 847897412 /nfs/dbraw/zinc/89/74/12/847897412.db2.gz XOGZBYWPMFVQCZ-OUAUKWLOSA-N -1 0 355.395 -0.390 20 0 FBADRM CCC[C@H](OC)C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001290690556 847897636 /nfs/dbraw/zinc/89/76/36/847897636.db2.gz XOGZBYWPMFVQCZ-VWYCJHECSA-N -1 0 355.395 -0.390 20 0 FBADRM COCC[C@H](C)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001290690962 847897109 /nfs/dbraw/zinc/89/71/09/847897109.db2.gz WUEFAXRLWKKTRP-AXFHLTTASA-N -1 0 355.395 -0.533 20 0 FBADRM COCC[C@@H](C)C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001290690963 847897505 /nfs/dbraw/zinc/89/75/05/847897505.db2.gz WUEFAXRLWKKTRP-MXWKQRLJSA-N -1 0 355.395 -0.533 20 0 FBADRM COC[C@@H](C)CC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001290716689 847900505 /nfs/dbraw/zinc/90/05/05/847900505.db2.gz VACRHQZCGVNNIY-AEJSXWLSSA-N -1 0 353.379 -0.325 20 0 FBADRM COC[C@H](C)CC(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001290716691 847900579 /nfs/dbraw/zinc/90/05/79/847900579.db2.gz VACRHQZCGVNNIY-BBBLOLIVSA-N -1 0 353.379 -0.325 20 0 FBADRM CCCS(=O)(=O)NC1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001290817875 847906341 /nfs/dbraw/zinc/90/63/41/847906341.db2.gz MBWFHTBVOUZFIS-UHFFFAOYSA-N -1 0 367.431 -0.043 20 0 FBADRM C[C@@]12CN(C(=O)CCCF)C[C@@H]1CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001290839528 847909513 /nfs/dbraw/zinc/90/95/13/847909513.db2.gz WEVULNZUKDKQGH-PSLIRLAXSA-N -1 0 353.354 -0.047 20 0 FBADRM C[C@]12CN(C(=O)CCCF)C[C@H]1CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001290843375 847909854 /nfs/dbraw/zinc/90/98/54/847909854.db2.gz LCJXIQCESMKJHU-ZUZCIYMTSA-N -1 0 355.370 -0.254 20 0 FBADRM C[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(=O)C(F)F ZINC001290861257 847910626 /nfs/dbraw/zinc/91/06/26/847910626.db2.gz ZOTWLFVQGDSRIJ-RKDXNWHRSA-N -1 0 361.349 -0.055 20 0 FBADRM C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1CNC(=O)C(C)(F)F ZINC001290862074 847912268 /nfs/dbraw/zinc/91/22/68/847912268.db2.gz RYEWATIQSUUMIF-RKDXNWHRSA-N -1 0 358.345 -0.035 20 0 FBADRM CCCNC(=O)CN1CCC(NC(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001290862503 847911926 /nfs/dbraw/zinc/91/19/26/847911926.db2.gz OPRIQQNNYSYVOR-UHFFFAOYSA-N -1 0 356.452 -0.291 20 0 FBADRM CC(C)OCC(=O)NC[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001290879220 847913780 /nfs/dbraw/zinc/91/37/80/847913780.db2.gz QWKLMZASNHNOOW-GHMZBOCLSA-N -1 0 355.395 -0.675 20 0 FBADRM CCOCCC(=O)NC[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001290882958 847914754 /nfs/dbraw/zinc/91/47/54/847914754.db2.gz HSYKTEQJAYUDTE-GHMZBOCLSA-N -1 0 355.395 -0.673 20 0 FBADRM CC(=O)N[C@H](C)C(=O)N1C[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])[C@H](C)C1 ZINC001290895664 847915838 /nfs/dbraw/zinc/91/58/38/847915838.db2.gz LZZZVALCLWQAAQ-HLUHBDAQSA-N -1 0 351.407 -0.227 20 0 FBADRM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])[C@H](C)C1 ZINC001290895666 847915807 /nfs/dbraw/zinc/91/58/07/847915807.db2.gz LZZZVALCLWQAAQ-UBHAPETDSA-N -1 0 351.407 -0.227 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)CC(=O)N(C)C)C[C@H]2C)c1[O-] ZINC001290895768 847916188 /nfs/dbraw/zinc/91/61/88/847916188.db2.gz OSTNAIGWWSVURD-MWLCHTKSSA-N -1 0 351.407 -0.274 20 0 FBADRM C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001290924163 847919310 /nfs/dbraw/zinc/91/93/10/847919310.db2.gz WCJDYONAAGQMGW-HTQZYQBOSA-N -1 0 366.340 -0.861 20 0 FBADRM NS(=O)(=O)c1ccc(N2CCN(C(=O)c3c[n-]ncc3=O)CC2)cc1 ZINC001290931305 847921180 /nfs/dbraw/zinc/92/11/80/847921180.db2.gz PLDHSPWJZOBJNV-UHFFFAOYSA-N -1 0 363.399 -0.208 20 0 FBADRM CC[C@@H]1C[C@H]1C(=O)N1C[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](C)C1 ZINC001290961989 847925490 /nfs/dbraw/zinc/92/54/90/847925490.db2.gz BFTBSTLQNDCVMK-DDHJBXDOSA-N -1 0 351.407 -0.054 20 0 FBADRM CS[C@@H](C)C(=O)N1C[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](C)C1 ZINC001290962178 847924938 /nfs/dbraw/zinc/92/49/38/847924938.db2.gz GVISGPDMBSSMDM-KXUCPTDWSA-N -1 0 357.436 -0.349 20 0 FBADRM CS[C@H](C)C(=O)N1C[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](C)C1 ZINC001290962179 847925313 /nfs/dbraw/zinc/92/53/13/847925313.db2.gz GVISGPDMBSSMDM-OPRDCNLKSA-N -1 0 357.436 -0.349 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001290962617 847925424 /nfs/dbraw/zinc/92/54/24/847925424.db2.gz RBLJLTPKSYHXPW-HLTSFMKQSA-N -1 0 359.333 -0.445 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2CC2(F)F)C[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001290962618 847925469 /nfs/dbraw/zinc/92/54/69/847925469.db2.gz RBLJLTPKSYHXPW-IWSPIJDZSA-N -1 0 359.333 -0.445 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001290962794 847924980 /nfs/dbraw/zinc/92/49/80/847924980.db2.gz UQMUYIVRFHKPGR-GMTAPVOTSA-N -1 0 353.379 -0.921 20 0 FBADRM C[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001290962799 847925299 /nfs/dbraw/zinc/92/52/99/847925299.db2.gz UQMUYIVRFHKPGR-MXWKQRLJSA-N -1 0 353.379 -0.921 20 0 FBADRM COCCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001291647992 847934929 /nfs/dbraw/zinc/93/49/29/847934929.db2.gz GERWRPQLDAPDQV-NXEZZACHSA-N -1 0 353.379 -0.466 20 0 FBADRM CO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001291656253 847934466 /nfs/dbraw/zinc/93/44/66/847934466.db2.gz WRWANDDFXDHGGX-GMTAPVOTSA-N -1 0 355.395 -0.675 20 0 FBADRM CO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001291656254 847934782 /nfs/dbraw/zinc/93/47/82/847934782.db2.gz WRWANDDFXDHGGX-OUAUKWLOSA-N -1 0 355.395 -0.675 20 0 FBADRM O=C(CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)NCC(F)(F)F ZINC001291686069 847935490 /nfs/dbraw/zinc/93/54/90/847935490.db2.gz ICPVAICNJWPQED-UHFFFAOYSA-N -1 0 359.264 -0.326 20 0 FBADRM COCC(=O)NC[C@]12CCC[C@H]1N(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2 ZINC001291700851 847937152 /nfs/dbraw/zinc/93/71/52/847937152.db2.gz DXHHGCWNLNZMCX-RFAUZJTJSA-N -1 0 351.363 -0.570 20 0 FBADRM CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc([O-])n(C)c1=O ZINC001291785277 847942982 /nfs/dbraw/zinc/94/29/82/847942982.db2.gz YFJDZSXIONERRQ-USWWRNFRSA-N -1 0 350.375 -0.616 20 0 FBADRM CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001291812365 847944080 /nfs/dbraw/zinc/94/40/80/847944080.db2.gz HZQREVOGJQTZDH-VWYCJHECSA-N -1 0 353.379 -0.636 20 0 FBADRM COCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C2 ZINC001291914732 847951100 /nfs/dbraw/zinc/95/11/00/847951100.db2.gz WCXXRLYWSVQJJO-VWYCJHECSA-N -1 0 353.379 -0.636 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)CN2CCCCS2(=O)=O)s1 ZINC001291939145 847952415 /nfs/dbraw/zinc/95/24/15/847952415.db2.gz JARUIRQOADIMAS-UHFFFAOYSA-N -1 0 369.450 -0.726 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)C[C@@H]2C=CS(=O)(=O)C2)s1 ZINC001291939243 847952195 /nfs/dbraw/zinc/95/21/95/847952195.db2.gz NCCGGPVOGUFRMY-LURJTMIESA-N -1 0 352.419 -0.204 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)C[C@H]2C=CS(=O)(=O)C2)s1 ZINC001291939244 847952355 /nfs/dbraw/zinc/95/23/55/847952355.db2.gz NCCGGPVOGUFRMY-ZCFIWIBFSA-N -1 0 352.419 -0.204 20 0 FBADRM CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001292050025 847957209 /nfs/dbraw/zinc/95/72/09/847957209.db2.gz AGLBZGICHOHCES-BBBLOLIVSA-N -1 0 351.363 -0.429 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(N)=O ZINC001292118907 847961208 /nfs/dbraw/zinc/96/12/08/847961208.db2.gz IAXKFTZHTPHQKS-PRJMDXOYSA-N -1 0 364.324 -0.823 20 0 FBADRM O=C(CCCc1nnn[n-]1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001292175425 847965779 /nfs/dbraw/zinc/96/57/79/847965779.db2.gz GIMDXFDWSFDHJZ-NEPJUHHUSA-N -1 0 357.436 -0.283 20 0 FBADRM O=C(CCCc1nnn[n-]1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001292175426 847965495 /nfs/dbraw/zinc/96/54/95/847965495.db2.gz GIMDXFDWSFDHJZ-NWDGAFQWSA-N -1 0 357.436 -0.283 20 0 FBADRM O=C(CCCc1nnn[n-]1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001292175427 847965521 /nfs/dbraw/zinc/96/55/21/847965521.db2.gz GIMDXFDWSFDHJZ-RYUDHWBXSA-N -1 0 357.436 -0.283 20 0 FBADRM O=C(CCCc1nnn[n-]1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001292175428 847965868 /nfs/dbraw/zinc/96/58/68/847965868.db2.gz GIMDXFDWSFDHJZ-VXGBXAGGSA-N -1 0 357.436 -0.283 20 0 FBADRM CO[C@H](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001292177728 847965836 /nfs/dbraw/zinc/96/58/36/847965836.db2.gz GXVQYSLELVQNLW-DBIOUOCHSA-N -1 0 353.379 -0.638 20 0 FBADRM CO[C@@H](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001292177729 847965633 /nfs/dbraw/zinc/96/56/33/847965633.db2.gz GXVQYSLELVQNLW-ZDCRXTMVSA-N -1 0 353.379 -0.638 20 0 FBADRM COC[C@@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(C)c1[O-] ZINC001292221247 847967960 /nfs/dbraw/zinc/96/79/60/847967960.db2.gz KFYNPFZBTURUPU-WISYIIOYSA-N -1 0 352.391 -0.053 20 0 FBADRM COC[C@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(C)c1[O-] ZINC001292221248 847968080 /nfs/dbraw/zinc/96/80/80/847968080.db2.gz KFYNPFZBTURUPU-WYUUTHIRSA-N -1 0 352.391 -0.053 20 0 FBADRM O=C(NCCN1CCCS1(=O)=O)c1nc[n-]c(=O)c1Br ZINC001292291627 847971703 /nfs/dbraw/zinc/97/17/03/847971703.db2.gz ZEBMSFXYNILNEY-UHFFFAOYSA-N -1 0 365.209 -0.290 20 0 FBADRM CCOCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001292293279 847971595 /nfs/dbraw/zinc/97/15/95/847971595.db2.gz IGTQUYOZZXHEAE-BONVTDFDSA-N -1 0 353.379 -0.777 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@]12CCC[C@H]1CN(C(=O)C(F)F)C2 ZINC001292331491 847975855 /nfs/dbraw/zinc/97/58/55/847975855.db2.gz AWOVBBIXFIBBKG-RTHLEPHNSA-N -1 0 359.333 -0.301 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)NCCNS(=O)(=O)c1ccccc1 ZINC001292406240 847976340 /nfs/dbraw/zinc/97/63/40/847976340.db2.gz LHFUIIBCSRXTPJ-UHFFFAOYSA-N -1 0 357.417 -0.303 20 0 FBADRM O=C(NCCNS(=O)(=O)c1ccccc1)c1c[n-]n2c1nccc2=O ZINC001292406542 847976543 /nfs/dbraw/zinc/97/65/43/847976543.db2.gz QBVRABVNWWOMTD-UHFFFAOYSA-N -1 0 361.383 -0.269 20 0 FBADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001292754997 847979376 /nfs/dbraw/zinc/97/93/76/847979376.db2.gz VVDOVJPHQHASAF-SECBINFHSA-N -1 0 369.403 -0.183 20 0 FBADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001292754998 847980303 /nfs/dbraw/zinc/98/03/03/847980303.db2.gz VVDOVJPHQHASAF-VIFPVBQESA-N -1 0 369.403 -0.183 20 0 FBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)NCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001292915201 847982974 /nfs/dbraw/zinc/98/29/74/847982974.db2.gz CEBANLQQWMTBFA-MXWKQRLJSA-N -1 0 353.379 -0.731 20 0 FBADRM C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001292975388 847984405 /nfs/dbraw/zinc/98/44/05/847984405.db2.gz ARETUXUZLAVLAA-DLOVCJGASA-N -1 0 352.395 -0.845 20 0 FBADRM C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001292975391 847983862 /nfs/dbraw/zinc/98/38/62/847983862.db2.gz ARETUXUZLAVLAA-MVWJERBFSA-N -1 0 352.395 -0.845 20 0 FBADRM C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001292975393 847983919 /nfs/dbraw/zinc/98/39/19/847983919.db2.gz ARETUXUZLAVLAA-WCQGTBRESA-N -1 0 352.395 -0.845 20 0 FBADRM C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001292975394 847984380 /nfs/dbraw/zinc/98/43/80/847984380.db2.gz ARETUXUZLAVLAA-ZMLRMANQSA-N -1 0 352.395 -0.845 20 0 FBADRM O=C(CN1CCCC2(CC2)S1(=O)=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001292975803 847984121 /nfs/dbraw/zinc/98/41/21/847984121.db2.gz IEIVZAHDRBFDSC-JTQLQIEISA-N -1 0 356.408 -0.942 20 0 FBADRM O=C(CN1CCCC2(CC2)S1(=O)=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001292975808 847984335 /nfs/dbraw/zinc/98/43/35/847984335.db2.gz IEIVZAHDRBFDSC-SNVBAGLBSA-N -1 0 356.408 -0.942 20 0 FBADRM CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)n1 ZINC001292976445 847984494 /nfs/dbraw/zinc/98/44/94/847984494.db2.gz SWWMANNXCZLMRN-MRVPVSSYSA-N -1 0 372.794 -0.135 20 0 FBADRM CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)n1 ZINC001292976460 847984101 /nfs/dbraw/zinc/98/41/01/847984101.db2.gz SWWMANNXCZLMRN-QMMMGPOBSA-N -1 0 372.794 -0.135 20 0 FBADRM CS(=O)(=O)CCN1CCC(NC(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001293022162 847984938 /nfs/dbraw/zinc/98/49/38/847984938.db2.gz IMZCOHGVLHBZPH-UHFFFAOYSA-N -1 0 363.465 -0.772 20 0 FBADRM COC(=O)CC(=O)NCCN=c1ncnc2n(C)[n-]c(Br)c1-2 ZINC001293079575 847986584 /nfs/dbraw/zinc/98/65/84/847986584.db2.gz NOOMKAXNSJLQBO-UHFFFAOYSA-N -1 0 371.195 -0.410 20 0 FBADRM CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)Cn1c(=O)[n-][nH]c1=O)CC2 ZINC001293308021 847989201 /nfs/dbraw/zinc/98/92/01/847989201.db2.gz BXVWOLJVIYKMQB-UHFFFAOYSA-N -1 0 367.387 -0.471 20 0 FBADRM CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)CCc1nnn[n-]1)CC2 ZINC001293308277 847989471 /nfs/dbraw/zinc/98/94/71/847989471.db2.gz HVHCMNZQJNNIKF-UHFFFAOYSA-N -1 0 350.404 -0.028 20 0 FBADRM CS(=O)(=O)N[C@H]1CCN(C(=O)c2nc[n-]c(=O)c2Br)C1 ZINC001293317985 847989266 /nfs/dbraw/zinc/98/92/66/847989266.db2.gz OULZBYRTDLRIFA-LURJTMIESA-N -1 0 365.209 -0.292 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2nc[n-]c(=O)c2Br)C1 ZINC001293317986 847989345 /nfs/dbraw/zinc/98/93/45/847989345.db2.gz OULZBYRTDLRIFA-ZCFIWIBFSA-N -1 0 365.209 -0.292 20 0 FBADRM O=C(CCc1nnn[n-]1)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC001293361219 847990620 /nfs/dbraw/zinc/99/06/20/847990620.db2.gz MRLPGUQESJQNGF-UHFFFAOYSA-N -1 0 370.357 -0.190 20 0 FBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001293381987 847990020 /nfs/dbraw/zinc/99/00/20/847990020.db2.gz BADJPBOUEJILQL-NXEZZACHSA-N -1 0 352.420 -0.032 20 0 FBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001293381994 847990068 /nfs/dbraw/zinc/99/00/68/847990068.db2.gz BADJPBOUEJILQL-UWVGGRQHSA-N -1 0 352.420 -0.032 20 0 FBADRM C[C@H]([C@H](C)N(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1)S(C)(=O)=O ZINC001293381995 847990003 /nfs/dbraw/zinc/99/00/03/847990003.db2.gz BADJPBOUEJILQL-VHSXEESVSA-N -1 0 352.420 -0.032 20 0 FBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001293381996 847990547 /nfs/dbraw/zinc/99/05/47/847990547.db2.gz BADJPBOUEJILQL-ZJUUUORDSA-N -1 0 352.420 -0.032 20 0 FBADRM CN(CC(=O)N1CCOCC1)C(=O)c1nc[n-]c(=O)c1Br ZINC001293561082 847992664 /nfs/dbraw/zinc/99/26/64/847992664.db2.gz RTYODERZMJMXIL-UHFFFAOYSA-N -1 0 359.180 -0.125 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1cc(F)ccc1N1CCOCC1 ZINC001293682935 847993766 /nfs/dbraw/zinc/99/37/66/847993766.db2.gz UWQOGFURNWLADT-UHFFFAOYSA-N -1 0 351.338 -0.019 20 0 FBADRM O=C(NC1CCN(S(=O)(=O)C2CCOCC2)CC1)c1c[n-]ncc1=O ZINC001293692411 847994398 /nfs/dbraw/zinc/99/43/98/847994398.db2.gz VGDBPAJMSBRDDF-UHFFFAOYSA-N -1 0 370.431 -0.115 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)N(C)CCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001294211899 848000668 /nfs/dbraw/zinc/00/06/68/848000668.db2.gz ZJMYGQSCWSKFBQ-KOLCDFICSA-N -1 0 353.379 -0.324 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)NCCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001294240099 848001524 /nfs/dbraw/zinc/00/15/24/848001524.db2.gz VIMCGUHAPGRGGW-MNOVXSKESA-N -1 0 355.395 -0.531 20 0 FBADRM CCC[C@H](NC(=O)c1c2c(nn1C)CCS(=O)(=O)C2)c1nnn[n-]1 ZINC001294422472 848003507 /nfs/dbraw/zinc/00/35/07/848003507.db2.gz QAUDKOIEQWSIQL-JTQLQIEISA-N -1 0 353.408 -0.325 20 0 FBADRM CCC[C@@H](NC(=O)c1c2c(nn1C)CCS(=O)(=O)C2)c1nnn[n-]1 ZINC001294422473 848003767 /nfs/dbraw/zinc/00/37/67/848003767.db2.gz QAUDKOIEQWSIQL-SNVBAGLBSA-N -1 0 353.408 -0.325 20 0 FBADRM O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])N1C[C@H](O)C[C@H](O)C1 ZINC001294456270 848003680 /nfs/dbraw/zinc/00/36/80/848003680.db2.gz NQBVUAIEMPRBOD-TXEJJXNPSA-N -1 0 370.427 -0.256 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1C[C@H](O)C[C@H](O)C1 ZINC001294458163 848003699 /nfs/dbraw/zinc/00/36/99/848003699.db2.gz WVBNYCPMECSSAW-DTORHVGOSA-N -1 0 350.343 -0.803 20 0 FBADRM CCN(CCCNC(=O)[C@]12C[C@H]1COC2)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001294467952 848003579 /nfs/dbraw/zinc/00/35/79/848003579.db2.gz LNWWQRUPXBEXHP-BONVTDFDSA-N -1 0 353.379 -0.919 20 0 FBADRM CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C1CCN(S(C)(=O)=O)CC1 ZINC001294954616 848011523 /nfs/dbraw/zinc/01/15/23/848011523.db2.gz UVRYAYUWTSHCGC-UHFFFAOYSA-N -1 0 361.424 -0.648 20 0 FBADRM COCCN1CCN(C(=O)c2nc[n-]c(=O)c2Br)CC1=O ZINC001295178331 848014991 /nfs/dbraw/zinc/01/49/91/848014991.db2.gz TYTFJXXKVLAUCY-UHFFFAOYSA-N -1 0 359.180 -0.125 20 0 FBADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1 ZINC001295353289 848017522 /nfs/dbraw/zinc/01/75/22/848017522.db2.gz VBDGYMADZXFSMT-LLVKDONJSA-N -1 0 367.387 -0.970 20 0 FBADRM CNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1 ZINC001295353290 848017989 /nfs/dbraw/zinc/01/79/89/848017989.db2.gz VBDGYMADZXFSMT-NSHDSACASA-N -1 0 367.387 -0.970 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N=c2nc[nH]n2C)c1 ZINC001295382365 848018926 /nfs/dbraw/zinc/01/89/26/848018926.db2.gz VVZPAODGESVXMU-UHFFFAOYSA-N -1 0 352.376 -0.181 20 0 FBADRM O=C(CCc1nnn[n-]1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC001295486223 848020268 /nfs/dbraw/zinc/02/02/68/848020268.db2.gz QSKVKTRZIVAZMM-UHFFFAOYSA-N -1 0 362.415 -0.264 20 0 FBADRM C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001295586437 848021899 /nfs/dbraw/zinc/02/18/99/848021899.db2.gz TWBNOJDDEHNVOE-FCHSOHFDSA-N -1 0 353.379 -0.731 20 0 FBADRM C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001295586438 848021909 /nfs/dbraw/zinc/02/19/09/848021909.db2.gz TWBNOJDDEHNVOE-WMFXKJRFSA-N -1 0 353.379 -0.731 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001295609899 848022802 /nfs/dbraw/zinc/02/28/02/848022802.db2.gz VUTOPSAZDRGWTD-PELKAZGASA-N -1 0 362.433 -0.545 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001295609900 848022881 /nfs/dbraw/zinc/02/28/81/848022881.db2.gz VUTOPSAZDRGWTD-PRHODGIISA-N -1 0 362.433 -0.545 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001295609902 848022825 /nfs/dbraw/zinc/02/28/25/848022825.db2.gz VUTOPSAZDRGWTD-QPUJVOFHSA-N -1 0 362.433 -0.545 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001295609903 848022649 /nfs/dbraw/zinc/02/26/49/848022649.db2.gz VUTOPSAZDRGWTD-UFBFGSQYSA-N -1 0 362.433 -0.545 20 0 FBADRM COc1cc(C(=O)N[C@H]2CN(C)NC2=O)cc([N-]S(C)(=O)=O)c1OC ZINC001295618687 848022549 /nfs/dbraw/zinc/02/25/49/848022549.db2.gz NWWYPUQEVNSGOS-JTQLQIEISA-N -1 0 372.403 -0.850 20 0 FBADRM COc1cc(C(=O)N[C@@H]2CN(C)NC2=O)cc([N-]S(C)(=O)=O)c1OC ZINC001295618690 848022864 /nfs/dbraw/zinc/02/28/64/848022864.db2.gz NWWYPUQEVNSGOS-SNVBAGLBSA-N -1 0 372.403 -0.850 20 0 FBADRM NS(=O)(=O)c1cc(NC(=O)CCC(=O)N2CCOCC2)ccc1[O-] ZINC001295841287 848026772 /nfs/dbraw/zinc/02/67/72/848026772.db2.gz ZNPMALBRGZZJFB-UHFFFAOYSA-N -1 0 357.388 -0.383 20 0 FBADRM NS(=O)(=O)c1cc(NC(=O)[C@H]2COCCN2CC(F)F)ccc1[O-] ZINC001295843394 848026640 /nfs/dbraw/zinc/02/66/40/848026640.db2.gz MCKYCEQWZXAHST-SECBINFHSA-N -1 0 365.358 -0.056 20 0 FBADRM NS(=O)(=O)c1cc(NC(=O)[C@@H]2COCCN2CC(F)F)ccc1[O-] ZINC001295843395 848026727 /nfs/dbraw/zinc/02/67/27/848026727.db2.gz MCKYCEQWZXAHST-VIFPVBQESA-N -1 0 365.358 -0.056 20 0 FBADRM COC(=O)[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)Oc1ccc(F)cc1 ZINC001295878986 848027103 /nfs/dbraw/zinc/02/71/03/848027103.db2.gz MSWJJYDVYMRHHF-JTQLQIEISA-N -1 0 354.294 -0.435 20 0 FBADRM COC(=O)[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)Oc1ccc(F)cc1 ZINC001295878987 848027645 /nfs/dbraw/zinc/02/76/45/848027645.db2.gz MSWJJYDVYMRHHF-SNVBAGLBSA-N -1 0 354.294 -0.435 20 0 FBADRM COCCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)OC(C)(C)C ZINC001295951191 848028534 /nfs/dbraw/zinc/02/85/34/848028534.db2.gz RLRJDWWIBGFRQU-UHFFFAOYSA-N -1 0 359.383 -0.311 20 0 FBADRM CCS(=O)(=O)CCN(C)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001296020829 848029854 /nfs/dbraw/zinc/02/98/54/848029854.db2.gz GTLZLSDTIPLHAH-UHFFFAOYSA-N -1 0 354.388 -0.227 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC001296124632 848030864 /nfs/dbraw/zinc/03/08/64/848030864.db2.gz JHXHMXJDDBNTTM-UHFFFAOYSA-N -1 0 367.387 -0.454 20 0 FBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001296165577 848031984 /nfs/dbraw/zinc/03/19/84/848031984.db2.gz NSCPZTISOSYSQY-ATZCPNFKSA-N -1 0 351.363 -0.714 20 0 FBADRM CN(CCNC(=O)[C@@H]1CCO[C@H]1C1CC1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001296186547 841866808 /nfs/dbraw/zinc/86/68/08/841866808.db2.gz ZLDPWAGQKNWMFS-PWSUYJOCSA-N -1 0 353.379 -0.921 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)[N-]OCC(F)F)c1 ZINC001296257197 848034638 /nfs/dbraw/zinc/03/46/38/848034638.db2.gz GCBZJHCZAYETRU-UHFFFAOYSA-N -1 0 372.371 -0.319 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001296321826 848036130 /nfs/dbraw/zinc/03/61/30/848036130.db2.gz GBQAFYKVEUCOOB-JTQLQIEISA-N -1 0 371.390 -0.239 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001296321827 848035994 /nfs/dbraw/zinc/03/59/94/848035994.db2.gz GBQAFYKVEUCOOB-SNVBAGLBSA-N -1 0 371.390 -0.239 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc(-n2cc[nH]c2=O)c1 ZINC001296321937 848036015 /nfs/dbraw/zinc/03/60/15/848036015.db2.gz KPDUIEPPWBPEMF-UHFFFAOYSA-N -1 0 352.372 -0.226 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccn(CC(F)(F)F)c1=O ZINC001296321970 848035798 /nfs/dbraw/zinc/03/57/98/848035798.db2.gz LKJPKFHRACGCAJ-UHFFFAOYSA-N -1 0 369.321 -0.394 20 0 FBADRM CN(C)[C@]1(C(=O)NCCC(=O)[N-]S(C)(=O)=O)COc2ccccc2C1 ZINC001296322008 848035448 /nfs/dbraw/zinc/03/54/48/848035448.db2.gz MXCOXWPLRLAXBK-INIZCTEOSA-N -1 0 369.443 -0.496 20 0 FBADRM CN(C)[C@@]1(C(=O)NCCC(=O)[N-]S(C)(=O)=O)COc2ccccc2C1 ZINC001296322009 848036834 /nfs/dbraw/zinc/03/68/34/848036834.db2.gz MXCOXWPLRLAXBK-MRXNPFEDSA-N -1 0 369.443 -0.496 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1C[C@]12c1ccccc1NC2=O ZINC001296322044 848036758 /nfs/dbraw/zinc/03/67/58/848036758.db2.gz OAHGRIABZNYENR-BMIGLBTASA-N -1 0 351.384 -0.522 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1C[C@]12c1ccccc1NC2=O ZINC001296322045 848036538 /nfs/dbraw/zinc/03/65/38/848036538.db2.gz OAHGRIABZNYENR-BONVTDFDSA-N -1 0 351.384 -0.522 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1C[C@@]12c1ccccc1NC2=O ZINC001296322046 848036709 /nfs/dbraw/zinc/03/67/09/848036709.db2.gz OAHGRIABZNYENR-MEBBXXQBSA-N -1 0 351.384 -0.522 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1C[C@@]12c1ccccc1NC2=O ZINC001296322047 848036828 /nfs/dbraw/zinc/03/68/28/848036828.db2.gz OAHGRIABZNYENR-ZUZCIYMTSA-N -1 0 351.384 -0.522 20 0 FBADRM Cn1nc(-c2ccncc2)cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001296322067 848036978 /nfs/dbraw/zinc/03/69/78/848036978.db2.gz OZXPMTDTMYGIJI-UHFFFAOYSA-N -1 0 351.388 -0.322 20 0 FBADRM Cn1nc(C2CCOCC2)cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001296322692 848036949 /nfs/dbraw/zinc/03/69/49/848036949.db2.gz AVBVOSYKPJOCMZ-UHFFFAOYSA-N -1 0 358.420 -0.490 20 0 FBADRM CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001296322922 848036507 /nfs/dbraw/zinc/03/65/07/848036507.db2.gz FFNFJJPSMSVMGZ-GFCCVEGCSA-N -1 0 361.464 -0.004 20 0 FBADRM CC(C)CC(=O)N1CCCC[C@H]1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001296322923 848036797 /nfs/dbraw/zinc/03/67/97/848036797.db2.gz FFNFJJPSMSVMGZ-LBPRGKRZSA-N -1 0 361.464 -0.004 20 0 FBADRM CCn1ncc(Br)c1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001296323307 848036548 /nfs/dbraw/zinc/03/65/48/848036548.db2.gz MVBLVWUFQMRJAY-UHFFFAOYSA-N -1 0 367.225 -0.139 20 0 FBADRM Cc1c(Br)cnn1CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001296323637 848036966 /nfs/dbraw/zinc/03/69/66/848036966.db2.gz RTSSJNPIQMSOKX-UHFFFAOYSA-N -1 0 367.225 -0.464 20 0 FBADRM C[C@H]1CCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CCS1(=O)=O ZINC001296340247 848037768 /nfs/dbraw/zinc/03/77/68/848037768.db2.gz JRPFXVOPNRWSCA-JTQLQIEISA-N -1 0 366.399 -0.085 20 0 FBADRM C[C@@H]1CCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CCS1(=O)=O ZINC001296340248 848037902 /nfs/dbraw/zinc/03/79/02/848037902.db2.gz JRPFXVOPNRWSCA-SNVBAGLBSA-N -1 0 366.399 -0.085 20 0 FBADRM Cc1n[nH]nc1C(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001296664505 848042220 /nfs/dbraw/zinc/04/22/20/848042220.db2.gz KQFSKNKGYUJZNR-UHFFFAOYSA-N -1 0 370.357 -0.296 20 0 FBADRM NC(=O)CCC(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001296664539 848043422 /nfs/dbraw/zinc/04/34/22/848043422.db2.gz LQMWAQCVPKTXMB-UHFFFAOYSA-N -1 0 360.358 -0.771 20 0 FBADRM C/C=C\[C@@H](O)C(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001296665119 848043139 /nfs/dbraw/zinc/04/31/39/848043139.db2.gz UXAVHMWPIMREAF-MXQLGCADSA-N -1 0 359.370 -0.099 20 0 FBADRM C/C=C/[C@H](O)C(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001296665120 848043460 /nfs/dbraw/zinc/04/34/60/848043460.db2.gz UXAVHMWPIMREAF-PBKGFPTLSA-N -1 0 359.370 -0.099 20 0 FBADRM C/C=C/[C@@H](O)C(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001296665121 848043484 /nfs/dbraw/zinc/04/34/84/848043484.db2.gz UXAVHMWPIMREAF-VMZHVLLKSA-N -1 0 359.370 -0.099 20 0 FBADRM C/C=C\[C@H](O)C(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001296665122 848042978 /nfs/dbraw/zinc/04/29/78/848042978.db2.gz UXAVHMWPIMREAF-ZMWSMAPVSA-N -1 0 359.370 -0.099 20 0 FBADRM NS(=O)(=O)c1ccc(F)c(C(=O)N2CCSC[C@H]2c2nnn[n-]2)c1 ZINC001296688195 848043619 /nfs/dbraw/zinc/04/36/19/848043619.db2.gz QOVAYDHCBXQVHP-JTQLQIEISA-N -1 0 372.407 -0.084 20 0 FBADRM NS(=O)(=O)c1ccc(F)c(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)c1 ZINC001296688200 848043283 /nfs/dbraw/zinc/04/32/83/848043283.db2.gz QOVAYDHCBXQVHP-SNVBAGLBSA-N -1 0 372.407 -0.084 20 0 FBADRM O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC001296688547 848043226 /nfs/dbraw/zinc/04/32/26/848043226.db2.gz DDYBZYPYVZZNNR-PUUHTONNSA-N -1 0 365.419 -0.415 20 0 FBADRM O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001296688550 848043032 /nfs/dbraw/zinc/04/30/32/848043032.db2.gz DDYBZYPYVZZNNR-ZYTOWTHASA-N -1 0 365.419 -0.415 20 0 FBADRM CN1CC(=O)Nc2cc(C(=O)N3CCSC[C@H]3c3nnn[n-]3)cnc21 ZINC001296690505 848043005 /nfs/dbraw/zinc/04/30/05/848043005.db2.gz QQDZZFKDBNODAF-JTQLQIEISA-N -1 0 360.403 -0.087 20 0 FBADRM CN1CC(=O)Nc2cc(C(=O)N3CCSC[C@@H]3c3nnn[n-]3)cnc21 ZINC001296690516 848043637 /nfs/dbraw/zinc/04/36/37/848043637.db2.gz QQDZZFKDBNODAF-SNVBAGLBSA-N -1 0 360.403 -0.087 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)NCCc2n[n-]c(=S)o2)cn1 ZINC001296731900 848043382 /nfs/dbraw/zinc/04/33/82/848043382.db2.gz GSKVGEJXWRLWBT-UHFFFAOYSA-N -1 0 357.417 -0.024 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)cc1=O ZINC001296881893 848044966 /nfs/dbraw/zinc/04/49/66/848044966.db2.gz CYVJEIDCGHDHAQ-GFCCVEGCSA-N -1 0 358.464 -0.098 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)N2CCC[C@H](CS(N)(=O)=O)C2)cc1=O ZINC001296881894 848045201 /nfs/dbraw/zinc/04/52/01/848045201.db2.gz CYVJEIDCGHDHAQ-LBPRGKRZSA-N -1 0 358.464 -0.098 20 0 FBADRM CCC(=O)N[C@@H](CCSC)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001296952956 848045728 /nfs/dbraw/zinc/04/57/28/848045728.db2.gz GNEZNRRJUKFUOL-JTQLQIEISA-N -1 0 356.452 -0.342 20 0 FBADRM CCC(=O)N[C@H](CCSC)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001296952961 848045889 /nfs/dbraw/zinc/04/58/89/848045889.db2.gz GNEZNRRJUKFUOL-SNVBAGLBSA-N -1 0 356.452 -0.342 20 0 FBADRM O=C(Nc1c(F)cccc1F)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001296955588 848046101 /nfs/dbraw/zinc/04/61/01/848046101.db2.gz BKRGWQADHQTNJJ-UHFFFAOYSA-N -1 0 352.301 -0.073 20 0 FBADRM O=C(CCCc1nnn[n-]1)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC001296994336 848046583 /nfs/dbraw/zinc/04/65/83/848046583.db2.gz LQWDZHWTDFZLLZ-UHFFFAOYSA-N -1 0 356.452 -0.061 20 0 FBADRM Cn1ccc(NC(=O)CNC(=O)c2ccc([N-]S(C)(=O)=O)nc2)n1 ZINC001297230908 848051235 /nfs/dbraw/zinc/05/12/35/848051235.db2.gz MXOARSAJKBJSQD-UHFFFAOYSA-N -1 0 352.376 -0.445 20 0 FBADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001297241349 848051624 /nfs/dbraw/zinc/05/16/24/848051624.db2.gz LFXWZYGQHBZRLH-GHMZBOCLSA-N -1 0 351.407 -0.054 20 0 FBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001297264169 848052137 /nfs/dbraw/zinc/05/21/37/848052137.db2.gz PDUUNXNZFITVKR-LLVKDONJSA-N -1 0 373.435 -0.504 20 0 FBADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001297264170 848052203 /nfs/dbraw/zinc/05/22/03/848052203.db2.gz PDUUNXNZFITVKR-NSHDSACASA-N -1 0 373.435 -0.504 20 0 FBADRM CNS(=O)(=O)NC1CCN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)CC1 ZINC001297287445 848052599 /nfs/dbraw/zinc/05/25/99/848052599.db2.gz APRDATGPZWKRKO-UHFFFAOYSA-N -1 0 373.479 -0.580 20 0 FBADRM COC(=O)CC[C@@H](NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)C(=O)OC ZINC001297442920 848055655 /nfs/dbraw/zinc/05/56/55/848055655.db2.gz LURXBYPNAKBZDT-GFCCVEGCSA-N -1 0 355.391 -0.014 20 0 FBADRM CCC(CC)(NC(=O)CSCC(=O)N1CCOCC1)c1nnn[n-]1 ZINC001297487872 848056728 /nfs/dbraw/zinc/05/67/28/848056728.db2.gz OXVMQOXYTFFLLQ-UHFFFAOYSA-N -1 0 356.452 -0.077 20 0 FBADRM O=C(CCCc1nnn[n-]1)NCc1ccc(S(=O)(=O)CCO)cc1 ZINC001297503887 848057489 /nfs/dbraw/zinc/05/74/89/848057489.db2.gz WHLQIQAOCFABMH-UHFFFAOYSA-N -1 0 353.404 -0.395 20 0 FBADRM CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)c2c[n-]ncc2=O)CC1 ZINC001297596829 848059299 /nfs/dbraw/zinc/05/92/99/848059299.db2.gz HHMUTXWNCBXBDN-UHFFFAOYSA-N -1 0 357.388 -0.235 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)CCn2cnccc2=O)ccc1[O-] ZINC001297651762 848060339 /nfs/dbraw/zinc/06/03/39/848060339.db2.gz CSBJEVXXQTUXHC-UHFFFAOYSA-N -1 0 352.372 -0.114 20 0 FBADRM C[C@@H](NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)C1(S(C)(=O)=O)CC1 ZINC001297716854 848061105 /nfs/dbraw/zinc/06/11/05/848061105.db2.gz VIPWAGRVOIWOLF-SECBINFHSA-N -1 0 366.399 -0.038 20 0 FBADRM C[C@H](NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)C1(S(C)(=O)=O)CC1 ZINC001297716856 848061290 /nfs/dbraw/zinc/06/12/90/848061290.db2.gz VIPWAGRVOIWOLF-VIFPVBQESA-N -1 0 366.399 -0.038 20 0 FBADRM CN(C)S(=O)(=O)C[C@@H](NC(=O)CCCc1nnn[n-]1)C(F)(F)F ZINC001297745827 848061313 /nfs/dbraw/zinc/06/13/13/848061313.db2.gz ZVIVVJYVEXTSFI-SSDOTTSWSA-N -1 0 358.346 -0.539 20 0 FBADRM CN(C)S(=O)(=O)C[C@H](NC(=O)CCCc1nnn[n-]1)C(F)(F)F ZINC001297745828 848061148 /nfs/dbraw/zinc/06/11/48/848061148.db2.gz ZVIVVJYVEXTSFI-ZETCQYMHSA-N -1 0 358.346 -0.539 20 0 FBADRM CN(C)S(=O)(=O)c1cc(NC(=O)Cn2c(=O)[n-][nH]c2=O)ccc1F ZINC001297753715 848061884 /nfs/dbraw/zinc/06/18/84/848061884.db2.gz HFFMIHCIHNWEFV-UHFFFAOYSA-N -1 0 359.339 -0.283 20 0 FBADRM C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001297767192 848062226 /nfs/dbraw/zinc/06/22/26/848062226.db2.gz ZNGCPTMTOWQHRC-LSYCYVAJSA-N -1 0 350.375 -0.996 20 0 FBADRM C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001297767193 848062064 /nfs/dbraw/zinc/06/20/64/848062064.db2.gz ZNGCPTMTOWQHRC-PUTJDCORSA-N -1 0 350.375 -0.996 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC001297794514 848062617 /nfs/dbraw/zinc/06/26/17/848062617.db2.gz QKBMJUBPTSHFTF-UHFFFAOYSA-N -1 0 360.354 -0.501 20 0 FBADRM CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001297974202 848064707 /nfs/dbraw/zinc/06/47/07/848064707.db2.gz HABJIQZHALATCS-QJPTWQEYSA-N -1 0 351.407 -0.008 20 0 FBADRM CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001297974203 848064305 /nfs/dbraw/zinc/06/43/05/848064305.db2.gz HABJIQZHALATCS-TUAOUCFPSA-N -1 0 351.407 -0.008 20 0 FBADRM O=C(NC[C@@]1(O)CCS(=O)(=O)C1)c1nn(-c2ccccc2F)cc1[O-] ZINC001297994392 848066374 /nfs/dbraw/zinc/06/63/74/848066374.db2.gz ZIIBDWOLCBIDSX-HNNXBMFYSA-N -1 0 369.374 -0.004 20 0 FBADRM O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1nn(-c2ccccc2F)cc1[O-] ZINC001297994393 848067229 /nfs/dbraw/zinc/06/72/29/848067229.db2.gz ZIIBDWOLCBIDSX-OAHLLOKOSA-N -1 0 369.374 -0.004 20 0 FBADRM CC(C)[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001297996975 848067005 /nfs/dbraw/zinc/06/70/05/848067005.db2.gz VZKSIAQPPVAJOE-QJPTWQEYSA-N -1 0 351.407 -0.008 20 0 FBADRM CC(C)[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001297996976 848066784 /nfs/dbraw/zinc/06/67/84/848066784.db2.gz VZKSIAQPPVAJOE-TUAOUCFPSA-N -1 0 351.407 -0.008 20 0 FBADRM CC(C)(CO)O[N-]C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001298077800 848068719 /nfs/dbraw/zinc/06/87/19/848068719.db2.gz OTQPFGCSANEFEW-LLVKDONJSA-N -1 0 366.823 -0.202 20 0 FBADRM CC(C)(CO)O[N-]C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001298077801 848068725 /nfs/dbraw/zinc/06/87/25/848068725.db2.gz OTQPFGCSANEFEW-NSHDSACASA-N -1 0 366.823 -0.202 20 0 FBADRM COCCOC1(CNC(=O)c2c[n-]n3c2nccc3=O)CCOCC1 ZINC001298084869 848068307 /nfs/dbraw/zinc/06/83/07/848068307.db2.gz ANDKMMWDZUFVAG-UHFFFAOYSA-N -1 0 350.375 -0.035 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1[O-] ZINC001298171962 848070177 /nfs/dbraw/zinc/07/01/77/848070177.db2.gz JOGYEUNLAYLWBJ-AYGWYOGXSA-N -1 0 352.391 -0.554 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1[O-] ZINC001298171963 848070514 /nfs/dbraw/zinc/07/05/14/848070514.db2.gz JOGYEUNLAYLWBJ-BBGACYKPSA-N -1 0 352.391 -0.554 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001298268491 848075133 /nfs/dbraw/zinc/07/51/33/848075133.db2.gz VNANDXOEQRRUOQ-UHFFFAOYSA-N -1 0 355.376 -0.744 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)c1[O-] ZINC001298571071 848078451 /nfs/dbraw/zinc/07/84/51/848078451.db2.gz PULLQMUKONYBJU-RTOGKPCTSA-N -1 0 352.391 -0.290 20 0 FBADRM C[C@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)NC(=O)[C@]12C[C@H]1COC2 ZINC001298613884 848079634 /nfs/dbraw/zinc/07/96/34/848079634.db2.gz MXYVTMCSEYZEHX-FTGAXOIBSA-N -1 0 353.379 -0.873 20 0 FBADRM C[C@@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)NC(=O)[C@]12C[C@H]1COC2 ZINC001298795574 848082343 /nfs/dbraw/zinc/08/23/43/848082343.db2.gz MXYVTMCSEYZEHX-YHAQOWFVSA-N -1 0 353.379 -0.873 20 0 FBADRM C[C@@H]1CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C[C@H](C)S1(=O)=O ZINC001298812905 848082454 /nfs/dbraw/zinc/08/24/54/848082454.db2.gz CHXSCDNNHYQERJ-AOOOYVTPSA-N -1 0 366.399 -0.086 20 0 FBADRM C[C@@H]1CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C[C@@H](C)S1(=O)=O ZINC001298812911 848082352 /nfs/dbraw/zinc/08/23/52/848082352.db2.gz CHXSCDNNHYQERJ-NXEZZACHSA-N -1 0 366.399 -0.086 20 0 FBADRM C[C@H]1CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C[C@H](C)S1(=O)=O ZINC001298812912 848082579 /nfs/dbraw/zinc/08/25/79/848082579.db2.gz CHXSCDNNHYQERJ-UWVGGRQHSA-N -1 0 366.399 -0.086 20 0 FBADRM O=C(CCCc1nnn[n-]1)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC001298882485 848084059 /nfs/dbraw/zinc/08/40/59/848084059.db2.gz ANXHYVBXJMKRJM-LLVKDONJSA-N -1 0 356.452 -0.157 20 0 FBADRM O=C(CCCc1nnn[n-]1)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC001298882486 848084353 /nfs/dbraw/zinc/08/43/53/848084353.db2.gz ANXHYVBXJMKRJM-NSHDSACASA-N -1 0 356.452 -0.157 20 0 FBADRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)c1cscn1 ZINC001298956505 848084934 /nfs/dbraw/zinc/08/49/34/848084934.db2.gz AFQQOBXKYXFAKA-QMMMGPOBSA-N -1 0 352.376 -0.481 20 0 FBADRM COC(=O)CCNC(=O)[C@H]1CS[C@H](C)N1C(=O)CCCc1nnn[n-]1 ZINC001299026015 848086339 /nfs/dbraw/zinc/08/63/39/848086339.db2.gz MXISIOAVLRPIRK-NXEZZACHSA-N -1 0 370.435 -0.508 20 0 FBADRM COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)CCCc1nnn[n-]1 ZINC001299026017 848086025 /nfs/dbraw/zinc/08/60/25/848086025.db2.gz MXISIOAVLRPIRK-UWVGGRQHSA-N -1 0 370.435 -0.508 20 0 FBADRM COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1C(=O)CCCc1nnn[n-]1 ZINC001299026019 848086219 /nfs/dbraw/zinc/08/62/19/848086219.db2.gz MXISIOAVLRPIRK-VHSXEESVSA-N -1 0 370.435 -0.508 20 0 FBADRM COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)CCCc1nnn[n-]1 ZINC001299026020 848085943 /nfs/dbraw/zinc/08/59/43/848085943.db2.gz MXISIOAVLRPIRK-ZJUUUORDSA-N -1 0 370.435 -0.508 20 0 FBADRM COc1ccc(-n2cc([O-])c(C(=O)N3CC(S(N)(=O)=O)C3)n2)cc1 ZINC001299239557 837226370 /nfs/dbraw/zinc/22/63/70/837226370.db2.gz IWTNBPJIMCTXKU-UHFFFAOYSA-N -1 0 352.372 -0.301 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)N(CCN1CCOCC1)Cc1ccco1 ZINC001299380993 841878351 /nfs/dbraw/zinc/87/83/51/841878351.db2.gz UOVUHYZQGLIPRM-UHFFFAOYSA-N -1 0 351.363 -0.357 20 0 FBADRM COc1cc(C(=O)NC[C@H]2CNC(=O)C2)cc([N-]S(C)(=O)=O)c1OC ZINC001299381405 841877522 /nfs/dbraw/zinc/87/75/22/841877522.db2.gz ZNHYQKFWYGYCNO-SECBINFHSA-N -1 0 371.415 -0.059 20 0 FBADRM COc1cc(C(=O)NC[C@@H]2CNC(=O)C2)cc([N-]S(C)(=O)=O)c1OC ZINC001299381406 841877246 /nfs/dbraw/zinc/87/72/46/841877246.db2.gz ZNHYQKFWYGYCNO-VIFPVBQESA-N -1 0 371.415 -0.059 20 0 FBADRM CS(=O)(=O)CCCCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001299676045 846462925 /nfs/dbraw/zinc/46/29/25/846462925.db2.gz ZPKZCNIURHTKNL-UHFFFAOYSA-N -1 0 354.388 -0.179 20 0 FBADRM O=C(CCCc1nnn[n-]1)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001299744446 846859372 /nfs/dbraw/zinc/85/93/72/846859372.db2.gz RWBPFFVXPCXYFL-UHFFFAOYSA-N -1 0 351.411 -0.445 20 0 FBADRM CN(Cc1nc(=O)o[n-]1)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC001299928386 848090908 /nfs/dbraw/zinc/09/09/08/848090908.db2.gz CQSMFMWRIDOEIW-UHFFFAOYSA-N -1 0 352.372 -0.043 20 0 FBADRM CNC(=O)COc1ccc(C(=O)N(C)Cc2nc(=O)o[n-]2)cc1OC ZINC001299928801 848090861 /nfs/dbraw/zinc/09/08/61/848090861.db2.gz JACKITVAQXOUIG-UHFFFAOYSA-N -1 0 350.331 -0.232 20 0 FBADRM COCCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2nc(=O)o[n-]2)cc1 ZINC001299929427 848090761 /nfs/dbraw/zinc/09/07/61/848090761.db2.gz PAIXMUCDGQMSPX-UHFFFAOYSA-N -1 0 370.387 -0.440 20 0 FBADRM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(C)Cc1nc(=O)o[n-]1)C2=O ZINC001299929497 848090798 /nfs/dbraw/zinc/09/07/98/848090798.db2.gz QWXKKCQFKMOLDO-BJOHPYRUSA-N -1 0 351.363 -0.178 20 0 FBADRM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N(C)Cc1nc(=O)o[n-]1)C2=O ZINC001299929503 848090665 /nfs/dbraw/zinc/09/06/65/848090665.db2.gz QWXKKCQFKMOLDO-PSLIRLAXSA-N -1 0 351.363 -0.178 20 0 FBADRM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(C)Cc1nc(=O)o[n-]1)C2=O ZINC001299929505 848090949 /nfs/dbraw/zinc/09/09/49/848090949.db2.gz QWXKKCQFKMOLDO-RFAUZJTJSA-N -1 0 351.363 -0.178 20 0 FBADRM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N(C)Cc1nc(=O)o[n-]1)C2=O ZINC001299929507 848090992 /nfs/dbraw/zinc/09/09/92/848090992.db2.gz QWXKKCQFKMOLDO-VFZGTOFNSA-N -1 0 351.363 -0.178 20 0 FBADRM COCCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2nc(=O)o[n-]2)c1 ZINC001299930181 848090941 /nfs/dbraw/zinc/09/09/41/848090941.db2.gz VCCNMBAOQUCSCV-UHFFFAOYSA-N -1 0 370.387 -0.440 20 0 FBADRM CN(Cc1nc(=O)o[n-]1)C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC001299930183 848090967 /nfs/dbraw/zinc/09/09/67/848090967.db2.gz VDCBOGSBDXHVLF-UHFFFAOYSA-N -1 0 360.124 -0.954 20 0 FBADRM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001300042979 852118870 /nfs/dbraw/zinc/11/88/70/852118870.db2.gz OGOIEMFKFSXMJX-YUMQZZPRSA-N -1 0 362.312 -0.565 20 0 FBADRM CS(=O)(=O)[C@@H]1CN(C(=O)CCCc2nnn[n-]2)C[C@H]1C(F)(F)F ZINC001300766897 852250305 /nfs/dbraw/zinc/25/03/05/852250305.db2.gz IKHOCJLVLZOPRW-HTQZYQBOSA-N -1 0 355.342 -0.044 20 0 FBADRM CS(=O)(=O)NC1CN(C(=O)c2nc[n-]c(=O)c2Br)C1 ZINC001300960415 848093331 /nfs/dbraw/zinc/09/33/31/848093331.db2.gz RLKJBPIVLHOQCQ-UHFFFAOYSA-N -1 0 351.182 -0.682 20 0 FBADRM CC1(C)CNC(=O)[C@H]1NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001301121655 848094242 /nfs/dbraw/zinc/09/42/42/848094242.db2.gz MEXRRSGXPGVDAZ-GFCCVEGCSA-N -1 0 361.370 -0.116 20 0 FBADRM CC1(C)CNC(=O)[C@@H]1NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001301121656 848094064 /nfs/dbraw/zinc/09/40/64/848094064.db2.gz MEXRRSGXPGVDAZ-LBPRGKRZSA-N -1 0 361.370 -0.116 20 0 FBADRM COC1(OC)CCOC[C@@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001301155366 848094832 /nfs/dbraw/zinc/09/48/32/848094832.db2.gz AQKVBVKBXWDWTM-JTQLQIEISA-N -1 0 350.331 -0.056 20 0 FBADRM COC1(OC)CCOC[C@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001301155368 848094824 /nfs/dbraw/zinc/09/48/24/848094824.db2.gz AQKVBVKBXWDWTM-SNVBAGLBSA-N -1 0 350.331 -0.056 20 0 FBADRM CSCC[C@H](NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)c1nnn[n-]1 ZINC001301160592 848095126 /nfs/dbraw/zinc/09/51/26/848095126.db2.gz FITKKCIIQITNJC-AGIUHOORSA-N -1 0 370.479 -0.010 20 0 FBADRM CSCC[C@H](NC(=O)CCN1C(=O)CCNC1=S)c1nnn[n-]1 ZINC001301160709 848094951 /nfs/dbraw/zinc/09/49/51/848094951.db2.gz GRPJILISJSHFNH-QMMMGPOBSA-N -1 0 357.465 -0.393 20 0 FBADRM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1n[nH]cc1I ZINC001301170652 848094984 /nfs/dbraw/zinc/09/49/84/848094984.db2.gz IDBDSJJKNZXNEM-UHFFFAOYSA-N -1 0 350.076 -0.344 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(C)c2nnn[n-]2)cc1 ZINC001301546721 848097726 /nfs/dbraw/zinc/09/77/26/848097726.db2.gz FYRVKTXLQUWCML-UHFFFAOYSA-N -1 0 352.376 -0.266 20 0 FBADRM COc1ccc(C(=O)N(C)c2nnn[n-]2)cc1S(=O)(=O)NC1CC1 ZINC001301547480 848098381 /nfs/dbraw/zinc/09/83/81/848098381.db2.gz KZWUXVMUNTXPEX-UHFFFAOYSA-N -1 0 352.376 -0.074 20 0 FBADRM COc1ccc(S(=O)(=O)NCCC(=O)N(C)c2nnn[n-]2)cc1OC ZINC001301547764 848097630 /nfs/dbraw/zinc/09/76/30/848097630.db2.gz LADMRKWLKDEBBO-UHFFFAOYSA-N -1 0 370.391 -0.452 20 0 FBADRM CN(C(=O)Cn1nc(Br)c(Br)n1)c1nnn[n-]1 ZINC001301552166 848098025 /nfs/dbraw/zinc/09/80/25/848098025.db2.gz WMTRVDOELCJVEX-UHFFFAOYSA-N -1 0 365.977 -0.021 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCN(C)C[C@@H]2CO)c1 ZINC001301605151 848099272 /nfs/dbraw/zinc/09/92/72/848099272.db2.gz CUSQWARJPMWHLY-LLVKDONJSA-N -1 0 357.432 -0.609 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCN(C)C[C@H]2CO)c1 ZINC001301605152 848099123 /nfs/dbraw/zinc/09/91/23/848099123.db2.gz CUSQWARJPMWHLY-NSHDSACASA-N -1 0 357.432 -0.609 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1CCN(S(N)(=O)=O)CC1 ZINC001301618205 848099638 /nfs/dbraw/zinc/09/96/38/848099638.db2.gz YMXRQOXUMLOMEJ-VIFPVBQESA-N -1 0 374.385 -0.526 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)NC2CCN(S(N)(=O)=O)CC2)cc1=O ZINC001301618257 848099839 /nfs/dbraw/zinc/09/98/39/848099839.db2.gz ZQKQGCROPPOSRE-UHFFFAOYSA-N -1 0 359.452 -0.841 20 0 FBADRM O=C([N-]n1ccc(=O)[nH]c1=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC001301696404 848100350 /nfs/dbraw/zinc/10/03/50/848100350.db2.gz FYXYYDWQAGBEMD-UHFFFAOYSA-N -1 0 354.344 -0.290 20 0 FBADRM Cn1cc(I)c(C(=O)[N-]n2ccc(=O)[nH]c2=O)n1 ZINC001301696956 848100815 /nfs/dbraw/zinc/10/08/15/848100815.db2.gz HYDHTFRMBBKETR-UHFFFAOYSA-N -1 0 361.099 -0.329 20 0 FBADRM COC(=O)CN1CCN(C(=O)c2nc[n-]c(=O)c2Br)CC1 ZINC001301697678 839147841 /nfs/dbraw/zinc/14/78/41/839147841.db2.gz OKFFPVSQBUFROA-UHFFFAOYSA-N -1 0 359.180 -0.125 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCC23COCCN2CCOC3)cn1 ZINC001301718846 848100664 /nfs/dbraw/zinc/10/06/64/848100664.db2.gz ITUAJEPXYOTJEY-UHFFFAOYSA-N -1 0 370.431 -0.716 20 0 FBADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CC(NS(N)(=O)=O)C2)n1 ZINC001301848129 848103029 /nfs/dbraw/zinc/10/30/29/848103029.db2.gz WZJYYBNKSGYQQX-UHFFFAOYSA-N -1 0 369.378 -0.357 20 0 FBADRM NC(=O)C1(O)CN(C(=O)c2ccccc2[N-]S(=O)(=O)C(F)(F)F)C1 ZINC001301860456 848103243 /nfs/dbraw/zinc/10/32/43/848103243.db2.gz BHIYYBYWWGWIGJ-UHFFFAOYSA-N -1 0 367.305 -0.380 20 0 FBADRM CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)N1CC(O)(C(N)=O)C1 ZINC001301861366 848103885 /nfs/dbraw/zinc/10/38/85/848103885.db2.gz UGUXFSKEEXDEAH-UHFFFAOYSA-N -1 0 363.395 -0.117 20 0 FBADRM O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1ncc(Br)cc1[O-] ZINC001301915491 848104442 /nfs/dbraw/zinc/10/44/42/848104442.db2.gz JMHQNYHBRAWZJS-HTRCEHHLSA-N -1 0 351.178 -0.563 20 0 FBADRM O=C(CCNS(=O)(=O)c1cccs1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001302132338 848105954 /nfs/dbraw/zinc/10/59/54/848105954.db2.gz SXPRYMBRHHBOOE-SECBINFHSA-N -1 0 372.432 -0.470 20 0 FBADRM O=C(CCNS(=O)(=O)c1cccs1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001302132339 848105633 /nfs/dbraw/zinc/10/56/33/848105633.db2.gz SXPRYMBRHHBOOE-VIFPVBQESA-N -1 0 372.432 -0.470 20 0 FBADRM O=C(CNC(=O)c1cc(F)cc(F)c1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001302137366 848105569 /nfs/dbraw/zinc/10/55/69/848105569.db2.gz NCQZJKYSGSDULQ-LLVKDONJSA-N -1 0 352.301 -0.192 20 0 FBADRM O=C(CNC(=O)c1cc(F)cc(F)c1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001302137367 848105695 /nfs/dbraw/zinc/10/56/95/848105695.db2.gz NCQZJKYSGSDULQ-NSHDSACASA-N -1 0 352.301 -0.192 20 0 FBADRM Cc1oc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)cc1S(=O)(=O)N(C)C ZINC001302137669 848105984 /nfs/dbraw/zinc/10/59/84/848105984.db2.gz PQMQYZOHMICYAG-SECBINFHSA-N -1 0 370.391 -0.435 20 0 FBADRM Cc1oc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)cc1S(=O)(=O)N(C)C ZINC001302137670 848106048 /nfs/dbraw/zinc/10/60/48/848106048.db2.gz PQMQYZOHMICYAG-VIFPVBQESA-N -1 0 370.391 -0.435 20 0 FBADRM CS(=O)(=O)Nc1ccc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)cc1 ZINC001302137922 848105821 /nfs/dbraw/zinc/10/58/21/848105821.db2.gz VCFAHGQLOPNXKS-LLVKDONJSA-N -1 0 352.376 -0.215 20 0 FBADRM CS(=O)(=O)Nc1ccc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)cc1 ZINC001302137923 848105493 /nfs/dbraw/zinc/10/54/93/848105493.db2.gz VCFAHGQLOPNXKS-NSHDSACASA-N -1 0 352.376 -0.215 20 0 FBADRM CS(=O)(=O)c1ccc(NCC(=O)N2CCOC[C@@H]2c2nnn[n-]2)cc1 ZINC001302138258 848105936 /nfs/dbraw/zinc/10/59/36/848105936.db2.gz ZBZAWCXEBRGCFF-GFCCVEGCSA-N -1 0 366.403 -0.385 20 0 FBADRM CS(=O)(=O)c1ccc(NCC(=O)N2CCOC[C@H]2c2nnn[n-]2)cc1 ZINC001302138259 848105997 /nfs/dbraw/zinc/10/59/97/848105997.db2.gz ZBZAWCXEBRGCFF-LBPRGKRZSA-N -1 0 366.403 -0.385 20 0 FBADRM NS(=O)(=O)NC1CCN(C(=O)CSc2n[n-]c(=S)s2)CC1 ZINC001302236380 848106721 /nfs/dbraw/zinc/10/67/21/848106721.db2.gz IEIUPJFSCSCSLV-UHFFFAOYSA-N -1 0 369.519 -0.297 20 0 FBADRM COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001302257693 848106842 /nfs/dbraw/zinc/10/68/42/848106842.db2.gz SAISEDUJHFWZPA-JTQLQIEISA-N -1 0 369.399 -0.138 20 0 FBADRM COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001302257694 848106476 /nfs/dbraw/zinc/10/64/76/848106476.db2.gz SAISEDUJHFWZPA-SNVBAGLBSA-N -1 0 369.399 -0.138 20 0 FBADRM CCS(=O)(=O)NCC(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC001302343548 848108495 /nfs/dbraw/zinc/10/84/95/848108495.db2.gz MZNYNANYDKQQIF-LLVKDONJSA-N -1 0 353.404 -0.150 20 0 FBADRM CCS(=O)(=O)NCC(=O)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC001302343549 848108074 /nfs/dbraw/zinc/10/80/74/848108074.db2.gz MZNYNANYDKQQIF-NSHDSACASA-N -1 0 353.404 -0.150 20 0 FBADRM COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001302374203 848108986 /nfs/dbraw/zinc/10/89/86/848108986.db2.gz LKYQUZGOPHHFNR-GHMZBOCLSA-N -1 0 356.379 -0.056 20 0 FBADRM COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001302374205 848109117 /nfs/dbraw/zinc/10/91/17/848109117.db2.gz LKYQUZGOPHHFNR-MNOVXSKESA-N -1 0 356.379 -0.056 20 0 FBADRM COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001302374207 848109266 /nfs/dbraw/zinc/10/92/66/848109266.db2.gz LKYQUZGOPHHFNR-QWRGUYRKSA-N -1 0 356.379 -0.056 20 0 FBADRM COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001302374208 848109254 /nfs/dbraw/zinc/10/92/54/848109254.db2.gz LKYQUZGOPHHFNR-WDEREUQCSA-N -1 0 356.379 -0.056 20 0 FBADRM O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])N1CC[C@@H](O)[C@@H](O)C1 ZINC001302509462 848111693 /nfs/dbraw/zinc/11/16/93/848111693.db2.gz DCOJXWNVDOUVCX-CABCVRRESA-N -1 0 370.427 -0.256 20 0 FBADRM COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC001302676547 848112935 /nfs/dbraw/zinc/11/29/35/848112935.db2.gz MHYOXRLYBHTLTM-BXKDBHETSA-N -1 0 372.399 -0.609 20 0 FBADRM CNS(=O)(=O)c1ccc(C(=O)N2CCC(c3nnn[n-]3)CC2)cn1 ZINC001302752789 848114218 /nfs/dbraw/zinc/11/42/18/848114218.db2.gz FVGREGDEYNPJLQ-UHFFFAOYSA-N -1 0 351.392 -0.477 20 0 FBADRM CC(C)[C@H](C(=O)N1CCC(c2nnn[n-]2)CC1)N1CCCS1(=O)=O ZINC001302753098 848113833 /nfs/dbraw/zinc/11/38/33/848113833.db2.gz LSZBGDKRKQIFPD-GFCCVEGCSA-N -1 0 356.452 -0.034 20 0 FBADRM CC(C)[C@@H](C(=O)N1CCC(c2nnn[n-]2)CC1)N1CCCS1(=O)=O ZINC001302753099 848113924 /nfs/dbraw/zinc/11/39/24/848113924.db2.gz LSZBGDKRKQIFPD-LBPRGKRZSA-N -1 0 356.452 -0.034 20 0 FBADRM O=C(CNS(=O)(=O)c1ccccc1)N1CCC(c2nnn[n-]2)CC1 ZINC001302753214 848114168 /nfs/dbraw/zinc/11/41/68/848114168.db2.gz NWOIJWFCEDASMN-UHFFFAOYSA-N -1 0 350.404 -0.116 20 0 FBADRM COC(=O)[C@H](CCC1OCCO1)NC(=O)c1c[n-]n2c1nccc2=O ZINC001302818031 848114952 /nfs/dbraw/zinc/11/49/52/848114952.db2.gz KORNIJAOEPVOET-JTQLQIEISA-N -1 0 350.331 -0.553 20 0 FBADRM COC(=O)[C@@H](CCC1OCCO1)NC(=O)c1c[n-]n2c1nccc2=O ZINC001302818033 848115133 /nfs/dbraw/zinc/11/51/33/848115133.db2.gz KORNIJAOEPVOET-SNVBAGLBSA-N -1 0 350.331 -0.553 20 0 FBADRM CNC(=O)NC[C@@H]1COCCN1C(=O)c1nc[n-]c(=O)c1Br ZINC001302863768 848116252 /nfs/dbraw/zinc/11/62/52/848116252.db2.gz RSUZQAWONKRTLI-SSDOTTSWSA-N -1 0 374.195 -0.285 20 0 FBADRM CNC(=O)NC[C@H]1COCCN1C(=O)c1nc[n-]c(=O)c1Br ZINC001302863769 848116285 /nfs/dbraw/zinc/11/62/85/848116285.db2.gz RSUZQAWONKRTLI-ZETCQYMHSA-N -1 0 374.195 -0.285 20 0 FBADRM CS(=O)(=O)c1nc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)c2ccccn21 ZINC001302936481 848117471 /nfs/dbraw/zinc/11/74/71/848117471.db2.gz IPQDYTDAWGTSDP-SECBINFHSA-N -1 0 361.387 -0.119 20 0 FBADRM CS(=O)(=O)c1nc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)c2ccccn21 ZINC001302936484 848117719 /nfs/dbraw/zinc/11/77/19/848117719.db2.gz IPQDYTDAWGTSDP-VIFPVBQESA-N -1 0 361.387 -0.119 20 0 FBADRM O=C(Cc1ccc(S(=O)(=O)CCO)cc1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001302937355 848118102 /nfs/dbraw/zinc/11/81/02/848118102.db2.gz MLGPNSHRJAMKTA-GFCCVEGCSA-N -1 0 365.415 -0.476 20 0 FBADRM O=C(Cc1ccc(S(=O)(=O)CCO)cc1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001302937358 848117997 /nfs/dbraw/zinc/11/79/97/848117997.db2.gz MLGPNSHRJAMKTA-LBPRGKRZSA-N -1 0 365.415 -0.476 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)n(C)c1 ZINC001302939094 848117823 /nfs/dbraw/zinc/11/78/23/848117823.db2.gz WABIXXHVJZCPRU-SECBINFHSA-N -1 0 353.408 -0.582 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)n(C)c1 ZINC001302939102 848117766 /nfs/dbraw/zinc/11/77/66/848117766.db2.gz WABIXXHVJZCPRU-VIFPVBQESA-N -1 0 353.408 -0.582 20 0 FBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001302939144 848117928 /nfs/dbraw/zinc/11/79/28/848117928.db2.gz WIKOKZBBWNIZKH-JTQLQIEISA-N -1 0 351.411 -0.675 20 0 FBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001302939147 848117955 /nfs/dbraw/zinc/11/79/55/848117955.db2.gz WIKOKZBBWNIZKH-SNVBAGLBSA-N -1 0 351.411 -0.675 20 0 FBADRM COC(=O)[C@@]1(NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C[C@H](O)C1 ZINC001302956146 848118640 /nfs/dbraw/zinc/11/86/40/848118640.db2.gz LGOQKMBUGGAYCH-IKCYDLRASA-N -1 0 363.395 -0.132 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@@H]3CCNC(=O)[C@@H]32)c1 ZINC001303008828 848119497 /nfs/dbraw/zinc/11/94/97/848119497.db2.gz RNRPZCDILWPMMU-NOZJJQNGSA-N -1 0 353.400 -0.220 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@@H]3CCNC(=O)[C@H]32)c1 ZINC001303008829 848119782 /nfs/dbraw/zinc/11/97/82/848119782.db2.gz RNRPZCDILWPMMU-RNCFNFMXSA-N -1 0 353.400 -0.220 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@H]3CCNC(=O)[C@@H]32)c1 ZINC001303008830 848119668 /nfs/dbraw/zinc/11/96/68/848119668.db2.gz RNRPZCDILWPMMU-TVQRCGJNSA-N -1 0 353.400 -0.220 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@H]3CCNC(=O)[C@H]32)c1 ZINC001303008831 848119528 /nfs/dbraw/zinc/11/95/28/848119528.db2.gz RNRPZCDILWPMMU-ZANVPECISA-N -1 0 353.400 -0.220 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)NCC3(S(N)(=O)=O)CC3)cc2[n-]c1=S ZINC001303017075 848119556 /nfs/dbraw/zinc/11/95/56/848119556.db2.gz BEAHBDLEOVWZEX-UHFFFAOYSA-N -1 0 368.440 -0.227 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NCc2nnc3n2CCNC3=O)c1 ZINC001303122226 848122796 /nfs/dbraw/zinc/12/27/96/848122796.db2.gz MEZTYHQSBSRUFN-RUZDIDTESA-N -1 0 363.399 -0.546 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NCc2nnc3n2CCNC3=O)c1 ZINC001303122427 848122774 /nfs/dbraw/zinc/12/27/74/848122774.db2.gz MEZTYHQSBSRUFN-VWLOTQADSA-N -1 0 363.399 -0.546 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CC(O)(c2ncnn2C)C1 ZINC001303145289 848123784 /nfs/dbraw/zinc/12/37/84/848123784.db2.gz LAHHLKNOXSCULI-UHFFFAOYSA-N -1 0 365.415 -0.080 20 0 FBADRM CNS(=O)(=O)N1CCC(C(=O)N(Cc2nnn[n-]2)CC(C)C)CC1 ZINC001303200562 848123792 /nfs/dbraw/zinc/12/37/92/848123792.db2.gz BQJCUZUKJXSBKH-UHFFFAOYSA-N -1 0 359.456 -0.640 20 0 FBADRM CC(C)CN(Cc1nnn[n-]1)C(=O)c1cnn2c1S(=O)(=O)N(C)CC2 ZINC001303200599 848123623 /nfs/dbraw/zinc/12/36/23/848123623.db2.gz CUKWGUDYNIFVLG-UHFFFAOYSA-N -1 0 368.423 -0.671 20 0 FBADRM CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC001303200608 848123672 /nfs/dbraw/zinc/12/36/72/848123672.db2.gz CVYGSCNXGVXPFV-ZDUSSCGKSA-N -1 0 365.415 -0.132 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N(Cc1nnn[n-]1)CC(C)C ZINC001303202411 848124637 /nfs/dbraw/zinc/12/46/37/848124637.db2.gz YOLIMJQEMAMQJE-GFCCVEGCSA-N -1 0 351.411 -0.689 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N(Cc1nnn[n-]1)CC(C)C ZINC001303202412 848124366 /nfs/dbraw/zinc/12/43/66/848124366.db2.gz YOLIMJQEMAMQJE-LBPRGKRZSA-N -1 0 351.411 -0.689 20 0 FBADRM Cn1cnnc1[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC001303205284 848124645 /nfs/dbraw/zinc/12/46/45/848124645.db2.gz CKSLMDVQPOFCHD-SECBINFHSA-N -1 0 351.388 -0.202 20 0 FBADRM Cn1cnnc1[C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC001303205285 848124592 /nfs/dbraw/zinc/12/45/92/848124592.db2.gz CKSLMDVQPOFCHD-VIFPVBQESA-N -1 0 351.388 -0.202 20 0 FBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N[C@H](CO)CC1OCCO1 ZINC001303207237 848124172 /nfs/dbraw/zinc/12/41/72/848124172.db2.gz PLNFFRUCXOZGOK-JTQLQIEISA-N -1 0 365.411 -0.075 20 0 FBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N[C@@H](CO)CC1OCCO1 ZINC001303207239 848124438 /nfs/dbraw/zinc/12/44/38/848124438.db2.gz PLNFFRUCXOZGOK-SNVBAGLBSA-N -1 0 365.411 -0.075 20 0 FBADRM Cn1nc2c(c1C(=O)NC1(c3nnn[n-]3)CCC1)CS(=O)(=O)CC2 ZINC001303220748 848124464 /nfs/dbraw/zinc/12/44/64/848124464.db2.gz BCIXUBOGCHFHBQ-UHFFFAOYSA-N -1 0 351.392 -0.787 20 0 FBADRM O=C(CS[C@H]1CCS(=O)(=O)C1)N1CCC(Cc2nn[nH]n2)CC1 ZINC001303233562 841904826 /nfs/dbraw/zinc/90/48/26/841904826.db2.gz QNASAIDIYDNTIG-NSHDSACASA-N -1 0 359.477 -0.099 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NC(C)(C)CNS(N)(=O)=O)c1 ZINC001303236235 841905067 /nfs/dbraw/zinc/90/50/67/841905067.db2.gz YIJRNJDHXYEZJS-JOCHJYFZSA-N -1 0 363.461 -0.509 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NC(C)(C)CNS(N)(=O)=O)c1 ZINC001303236252 841905020 /nfs/dbraw/zinc/90/50/20/841905020.db2.gz YIJRNJDHXYEZJS-QFIPXVFZSA-N -1 0 363.461 -0.509 20 0 FBADRM CC(C)Cn1[n-]c(CC(=O)NCCN(C)CCS(C)(=O)=O)cc1=O ZINC001303237895 848125131 /nfs/dbraw/zinc/12/51/31/848125131.db2.gz DGICNRHLYIBIAI-UHFFFAOYSA-N -1 0 360.480 -0.533 20 0 FBADRM Cn1nccc1C1(O)CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001303238544 848125299 /nfs/dbraw/zinc/12/52/99/848125299.db2.gz HQULOHSUXOGXEZ-UHFFFAOYSA-N -1 0 350.379 -0.287 20 0 FBADRM O=C(NCCn1ccc(=O)[nH]c1=O)c1nc[n-]c(=O)c1Br ZINC001303574670 848133554 /nfs/dbraw/zinc/13/35/54/848133554.db2.gz QBXPDEMOOGZHNJ-UHFFFAOYSA-N -1 0 356.136 -0.363 20 0 FBADRM COC[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(C)cc1)c1nnn[n-]1 ZINC001303577797 848133178 /nfs/dbraw/zinc/13/31/78/848133178.db2.gz CQWCANGGETVNOJ-GFCCVEGCSA-N -1 0 368.419 -0.320 20 0 FBADRM COC[C@H](NC(=O)CCNS(=O)(=O)c1ccc(C)cc1)c1nnn[n-]1 ZINC001303577798 848133329 /nfs/dbraw/zinc/13/33/29/848133329.db2.gz CQWCANGGETVNOJ-LBPRGKRZSA-N -1 0 368.419 -0.320 20 0 FBADRM COC[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)c1nnn[n-]1 ZINC001303578282 848133528 /nfs/dbraw/zinc/13/35/28/848133528.db2.gz MOQHIDSIONZLED-GMOBBJLQSA-N -1 0 369.451 -0.271 20 0 FBADRM COC[C@H](NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)c1nnn[n-]1 ZINC001303578289 848133149 /nfs/dbraw/zinc/13/31/49/848133149.db2.gz MOQHIDSIONZLED-MIZYBKAJSA-N -1 0 369.451 -0.271 20 0 FBADRM COC[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)c1nnn[n-]1 ZINC001303578291 848133289 /nfs/dbraw/zinc/13/32/89/848133289.db2.gz MOQHIDSIONZLED-QFOLPQNPSA-N -1 0 369.451 -0.271 20 0 FBADRM COC[C@H](NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)c1nnn[n-]1 ZINC001303578293 848132994 /nfs/dbraw/zinc/13/29/94/848132994.db2.gz MOQHIDSIONZLED-WYFGTUCQSA-N -1 0 369.451 -0.271 20 0 FBADRM CCCCS(=O)(=O)N1CCC(C(=O)N[C@H](COC)c2nnn[n-]2)CC1 ZINC001303578541 848133221 /nfs/dbraw/zinc/13/32/21/848133221.db2.gz OWHYJLRDZSAYLW-GFCCVEGCSA-N -1 0 374.467 -0.155 20 0 FBADRM CCCCS(=O)(=O)N1CCC(C(=O)N[C@@H](COC)c2nnn[n-]2)CC1 ZINC001303578545 848133051 /nfs/dbraw/zinc/13/30/51/848133051.db2.gz OWHYJLRDZSAYLW-LBPRGKRZSA-N -1 0 374.467 -0.155 20 0 FBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001303594003 848133035 /nfs/dbraw/zinc/13/30/35/848133035.db2.gz NMKZDEWEQFHEBB-GHMZBOCLSA-N -1 0 354.411 -0.134 20 0 FBADRM CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001303594004 848134332 /nfs/dbraw/zinc/13/43/32/848134332.db2.gz NMKZDEWEQFHEBB-WDEREUQCSA-N -1 0 354.411 -0.134 20 0 FBADRM CS(=O)(=O)NCc1ccc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)o1 ZINC001303596021 848134171 /nfs/dbraw/zinc/13/41/71/848134171.db2.gz KUZIDFWSIJPSOM-JTQLQIEISA-N -1 0 368.419 -0.063 20 0 FBADRM CS(=O)(=O)NCc1ccc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)o1 ZINC001303596022 848134348 /nfs/dbraw/zinc/13/43/48/848134348.db2.gz KUZIDFWSIJPSOM-SNVBAGLBSA-N -1 0 368.419 -0.063 20 0 FBADRM CN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCS(=O)(=O)CC1 ZINC001303629827 848134288 /nfs/dbraw/zinc/13/42/88/848134288.db2.gz KNHVSSKOPWUCTM-UHFFFAOYSA-N -1 0 353.360 -0.847 20 0 FBADRM COc1cc(C(=O)N[C@@H]2C[C@@H](O)[C@@H](O)C2)cc([N-]S(C)(=O)=O)c1OC ZINC001303826250 848137425 /nfs/dbraw/zinc/13/74/25/848137425.db2.gz ZOLUQCNTFTVKMX-WLLOZRIZSA-N -1 0 374.415 -0.311 20 0 FBADRM COc1cc(C(=O)N[C@H]2C[C@@H](O)[C@@H](O)C2)cc([N-]S(C)(=O)=O)c1OC ZINC001303826251 848137448 /nfs/dbraw/zinc/13/74/48/848137448.db2.gz ZOLUQCNTFTVKMX-YHPBZONMSA-N -1 0 374.415 -0.311 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H]1CCS(=O)(=O)C2(CCC2)C1 ZINC001303937857 848140115 /nfs/dbraw/zinc/14/01/15/848140115.db2.gz ZQUREPZTWIRRTD-JTQLQIEISA-N -1 0 365.415 -0.313 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1CCS(=O)(=O)C2(CCC2)C1 ZINC001303937859 848139827 /nfs/dbraw/zinc/13/98/27/848139827.db2.gz ZQUREPZTWIRRTD-SNVBAGLBSA-N -1 0 365.415 -0.313 20 0 FBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001303993802 848140718 /nfs/dbraw/zinc/14/07/18/848140718.db2.gz FVZNFFJMJONFKH-LLVKDONJSA-N -1 0 365.371 -0.996 20 0 FBADRM O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001303993803 848140606 /nfs/dbraw/zinc/14/06/06/848140606.db2.gz FVZNFFJMJONFKH-NSHDSACASA-N -1 0 365.371 -0.996 20 0 FBADRM Cc1c([O-])nc(CCN(C)C(=O)C2=C(C)OCCS2(=O)=O)[nH]c1=O ZINC001304048008 848142339 /nfs/dbraw/zinc/14/23/39/848142339.db2.gz OZLYOGZDBSJJSZ-UHFFFAOYSA-N -1 0 357.388 -0.126 20 0 FBADRM Cn1nnc([N-]S(=O)(=O)c2cccc(NC(=O)[C@@H]3CCOC3)c2)n1 ZINC001304118804 848144553 /nfs/dbraw/zinc/14/45/53/848144553.db2.gz RKEQJUIBNGQXBU-SECBINFHSA-N -1 0 352.376 -0.014 20 0 FBADRM Cn1nnc([N-]S(=O)(=O)c2cccc(NC(=O)[C@H]3CCOC3)c2)n1 ZINC001304118807 848144227 /nfs/dbraw/zinc/14/42/27/848144227.db2.gz RKEQJUIBNGQXBU-VIFPVBQESA-N -1 0 352.376 -0.014 20 0 FBADRM Cc1cc(C(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001304214452 848147448 /nfs/dbraw/zinc/14/74/48/848147448.db2.gz SLLIUSXJAHLVQU-DTORHVGOSA-N -1 0 364.383 -0.139 20 0 FBADRM CO[N-]C(=O)CNC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC001304257606 848148910 /nfs/dbraw/zinc/14/89/10/848148910.db2.gz OMCFDVQLZHHWRD-UHFFFAOYSA-N -1 0 355.347 -0.764 20 0 FBADRM CO[N-]C(=O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC001304258718 848149293 /nfs/dbraw/zinc/14/92/93/848149293.db2.gz YXHHLZBRQYQIGP-LLVKDONJSA-N -1 0 373.435 -0.779 20 0 FBADRM CO[N-]C(=O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC001304258719 848149129 /nfs/dbraw/zinc/14/91/29/848149129.db2.gz YXHHLZBRQYQIGP-NSHDSACASA-N -1 0 373.435 -0.779 20 0 FBADRM CO[N-]C(=O)CNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC001304259113 848150087 /nfs/dbraw/zinc/15/00/87/848150087.db2.gz WYMPKWPRUSLURW-UHFFFAOYSA-N -1 0 362.433 -0.840 20 0 FBADRM CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001305093637 848158861 /nfs/dbraw/zinc/15/88/61/848158861.db2.gz DHQCYJGGVPQHGV-DEOSSOPVSA-N -1 0 358.424 -0.291 20 0 FBADRM CN(C)[S@](C)(=O)=NCC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001305093644 848158497 /nfs/dbraw/zinc/15/84/97/848158497.db2.gz DHQCYJGGVPQHGV-XMMPIXPASA-N -1 0 358.424 -0.291 20 0 FBADRM Cn1cc(S(=O)(=O)NCC(=O)[N-]OCCOc2ccccc2)cn1 ZINC001305274047 848159795 /nfs/dbraw/zinc/15/97/95/848159795.db2.gz ANEAFDUEBDZTNA-UHFFFAOYSA-N -1 0 354.388 -0.175 20 0 FBADRM Cn1cnc(S(=O)(=O)NCC(=O)[N-]OCCOc2ccccc2)c1 ZINC001305275818 848159670 /nfs/dbraw/zinc/15/96/70/848159670.db2.gz MSNDYZXOJJVFQL-UHFFFAOYSA-N -1 0 354.388 -0.175 20 0 FBADRM O=C([N-]Cc1ccc(C(=O)N2CC3(C2)NC(=O)NC3=O)o1)C(F)(F)F ZINC001305461579 848160507 /nfs/dbraw/zinc/16/05/07/848160507.db2.gz OUYIPVAQGDMKHC-UHFFFAOYSA-N -1 0 360.248 -0.508 20 0 FBADRM COC(=O)C1(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC(CO)C1 ZINC001305501800 848160719 /nfs/dbraw/zinc/16/07/19/848160719.db2.gz LMLHJAGFGIUXOA-UHFFFAOYSA-N -1 0 357.388 -0.503 20 0 FBADRM Cn1cc(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)c(C(N)=O)n1 ZINC001305699063 848161678 /nfs/dbraw/zinc/16/16/78/848161678.db2.gz OLEQMVYJVZEDES-UHFFFAOYSA-N -1 0 373.341 -0.286 20 0 FBADRM O=C(c1nc[n-]c(=O)c1Br)N1CCS(=O)(=O)CCO1 ZINC001305771300 848161351 /nfs/dbraw/zinc/16/13/51/848161351.db2.gz ONLCTUPQDMZBSU-UHFFFAOYSA-N -1 0 352.166 -0.253 20 0 FBADRM CC(C)(C)OC(=O)N1CC2(C1)OCCN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001305780152 848162209 /nfs/dbraw/zinc/16/22/09/848162209.db2.gz HXHCRZBJMZZUII-UHFFFAOYSA-N -1 0 353.335 -0.298 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(C(=O)CCCc2nnn[n-]2)[C@@H](CO)C1 ZINC001305871930 848162347 /nfs/dbraw/zinc/16/23/47/848162347.db2.gz SALNVBWVEQRGEX-LLVKDONJSA-N -1 0 354.411 -0.037 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(C(=O)CCCc2nnn[n-]2)[C@H](CO)C1 ZINC001305871931 848162455 /nfs/dbraw/zinc/16/24/55/848162455.db2.gz SALNVBWVEQRGEX-NSHDSACASA-N -1 0 354.411 -0.037 20 0 FBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NCCN3CCNC3=S)cc2=O)n1 ZINC001306136337 848164071 /nfs/dbraw/zinc/16/40/71/848164071.db2.gz PBBGIASPNVHEBR-UHFFFAOYSA-N -1 0 361.431 -0.508 20 0 FBADRM Cn1nnc(Br)c1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC001306459900 848166641 /nfs/dbraw/zinc/16/66/41/848166641.db2.gz CFSZJVUZFHTOEN-UHFFFAOYSA-N -1 0 350.158 -0.649 20 0 FBADRM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)C1 ZINC001306462981 848166822 /nfs/dbraw/zinc/16/68/22/848166822.db2.gz SULJTVGYUHEIHZ-MRVPVSSYSA-N -1 0 359.408 -0.580 20 0 FBADRM CC(C)(C)C(=O)N1CCO[C@H](C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)C1 ZINC001306462982 848166868 /nfs/dbraw/zinc/16/68/68/848166868.db2.gz SULJTVGYUHEIHZ-QMMMGPOBSA-N -1 0 359.408 -0.580 20 0 FBADRM O=C(NC[C@@]1(O)CCS(=O)(=O)C1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC001306842980 848168059 /nfs/dbraw/zinc/16/80/59/848168059.db2.gz HEDYFCPNAKEARR-AWEZNQCLSA-N -1 0 369.424 -0.097 20 0 FBADRM O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC001306842981 848168073 /nfs/dbraw/zinc/16/80/73/848168073.db2.gz HEDYFCPNAKEARR-CQSZACIVSA-N -1 0 369.424 -0.097 20 0 FBADRM C[C@@H](O)[C@@H](CO)NC(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C)c1 ZINC001306854619 848168382 /nfs/dbraw/zinc/16/83/82/848168382.db2.gz MCSHKVOLKSNAKH-PSASIEDQSA-N -1 0 374.444 -0.246 20 0 FBADRM COC(=O)c1c(NC(=O)C(=O)N2CCC[C@@H](C)C2)n[n-]c1OCCO ZINC001306862106 848169011 /nfs/dbraw/zinc/16/90/11/848169011.db2.gz YSPQOJFBIZDKPJ-SECBINFHSA-N -1 0 354.363 -0.236 20 0 FBADRM COC(=O)c1c(NC(=O)C(=O)N2CCC[C@H](C)C2)n[n-]c1OCCO ZINC001306862107 848168663 /nfs/dbraw/zinc/16/86/63/848168663.db2.gz YSPQOJFBIZDKPJ-VIFPVBQESA-N -1 0 354.363 -0.236 20 0 FBADRM Cn1c2ncn(CC(=O)[N-]OCCCC(F)(F)F)c2c(=O)n(C)c1=O ZINC001306889233 848168903 /nfs/dbraw/zinc/16/89/03/848168903.db2.gz ZWACFUMTWWSQIP-UHFFFAOYSA-N -1 0 363.296 -0.176 20 0 FBADRM COCCn1c(=O)cc([O-])nc1SCC(=O)N1CCCC[C@H]1C(N)=O ZINC001307404162 848173406 /nfs/dbraw/zinc/17/34/06/848173406.db2.gz AJSKXVASJNUIMJ-JTQLQIEISA-N -1 0 370.431 -0.446 20 0 FBADRM COCCn1c(=O)cc([O-])nc1SCC(=O)N1CCCC[C@@H]1C(N)=O ZINC001307404178 848173659 /nfs/dbraw/zinc/17/36/59/848173659.db2.gz AJSKXVASJNUIMJ-SNVBAGLBSA-N -1 0 370.431 -0.446 20 0 FBADRM CNS(=O)(=O)c1ccc(C[N-]S(=O)(=O)N=S(C)(C)=O)s1 ZINC001309047011 848187908 /nfs/dbraw/zinc/18/79/08/848187908.db2.gz XQZGHCIOBQEVBB-UHFFFAOYSA-N -1 0 361.492 -0.282 20 0 FBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CCC(=O)N1CCN(C)CC1 ZINC001309070436 848188844 /nfs/dbraw/zinc/18/88/44/848188844.db2.gz GQBOJNSEWNJCRM-UHFFFAOYSA-N -1 0 359.404 -0.491 20 0 FBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CCS(=O)(=O)NC(C)C ZINC001309104832 848189865 /nfs/dbraw/zinc/18/98/65/848189865.db2.gz FDWKYJSRXICYCB-UHFFFAOYSA-N -1 0 354.406 -0.328 20 0 FBADRM NC(=O)C1CCN(c2ncccc2CNS(=O)(=O)c2ncc[n-]2)CC1 ZINC001309166203 848191545 /nfs/dbraw/zinc/19/15/45/848191545.db2.gz XEWBKURSFFGLFN-UHFFFAOYSA-N -1 0 364.431 -0.015 20 0 FBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@H](O)CN1CCCC1=O ZINC001309218042 848193543 /nfs/dbraw/zinc/19/35/43/848193543.db2.gz FHTQAOLBOZOIQQ-CHNSCGDPSA-N -1 0 355.482 -0.300 20 0 FBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H](O)CN1CCCC1=O ZINC001309218048 848193772 /nfs/dbraw/zinc/19/37/72/848193772.db2.gz FHTQAOLBOZOIQQ-CWKPULSASA-N -1 0 355.482 -0.300 20 0 FBADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@@H](O)CN1CCCC1=O ZINC001309218049 848193281 /nfs/dbraw/zinc/19/32/81/848193281.db2.gz FHTQAOLBOZOIQQ-LADRHHBVSA-N -1 0 355.482 -0.300 20 0 FBADRM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H](O)CN1CCCC1=O ZINC001309218051 848193854 /nfs/dbraw/zinc/19/38/54/848193854.db2.gz FHTQAOLBOZOIQQ-UZJPJQLHSA-N -1 0 355.482 -0.300 20 0 FBADRM COCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC001309296959 848195496 /nfs/dbraw/zinc/19/54/96/848195496.db2.gz NAVKOFWSJBVABD-UHFFFAOYSA-N -1 0 352.438 -0.918 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](COC)C(N)=O ZINC001309324864 848197281 /nfs/dbraw/zinc/19/72/81/848197281.db2.gz MQALBLWANXDABG-BQBZGAKWSA-N -1 0 350.315 -0.710 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](COC)C(N)=O ZINC001309324865 848197194 /nfs/dbraw/zinc/19/71/94/848197194.db2.gz MQALBLWANXDABG-NKWVEPMBSA-N -1 0 350.315 -0.710 20 0 FBADRM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](COC)C(N)=O ZINC001309324866 848197170 /nfs/dbraw/zinc/19/71/70/848197170.db2.gz MQALBLWANXDABG-RNFRBKRXSA-N -1 0 350.315 -0.710 20 0 FBADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](COC)C(N)=O ZINC001309324867 848197221 /nfs/dbraw/zinc/19/72/21/848197221.db2.gz MQALBLWANXDABG-RQJHMYQMSA-N -1 0 350.315 -0.710 20 0 FBADRM COC[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F)C(N)=O ZINC001309326094 848196862 /nfs/dbraw/zinc/19/68/62/848196862.db2.gz XAXFFNRIHQBLEF-AOUSDQRYSA-N -1 0 353.397 -0.383 20 0 FBADRM COC[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F)C(N)=O ZINC001309326131 848196998 /nfs/dbraw/zinc/19/69/98/848196998.db2.gz XAXFFNRIHQBLEF-BTKVJGODSA-N -1 0 353.397 -0.383 20 0 FBADRM COC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F)C(N)=O ZINC001309326132 848197187 /nfs/dbraw/zinc/19/71/87/848197187.db2.gz XAXFFNRIHQBLEF-FPVGNUTFSA-N -1 0 353.397 -0.383 20 0 FBADRM COC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F)C(N)=O ZINC001309326133 848196782 /nfs/dbraw/zinc/19/67/82/848196782.db2.gz XAXFFNRIHQBLEF-JLTPVHFHSA-N -1 0 353.397 -0.383 20 0 FBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@H]1CCCN1S(C)(=O)=O ZINC001309327044 848196831 /nfs/dbraw/zinc/19/68/31/848196831.db2.gz UTNOHOHLPGFDET-SNVBAGLBSA-N -1 0 361.511 -0.247 20 0 FBADRM COC[C@@H]([N-]S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)C(=O)OC ZINC001309344003 848197911 /nfs/dbraw/zinc/19/79/11/848197911.db2.gz LJKXMUHVFYDCKP-GFCCVEGCSA-N -1 0 365.429 -0.303 20 0 FBADRM COC[C@H]([N-]S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)C(=O)OC ZINC001309344004 848197997 /nfs/dbraw/zinc/19/79/97/848197997.db2.gz LJKXMUHVFYDCKP-LBPRGKRZSA-N -1 0 365.429 -0.303 20 0 FBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC001309348727 848198968 /nfs/dbraw/zinc/19/89/68/848198968.db2.gz OGPIPEWOWMWJTC-FIKIJFGZSA-N -1 0 350.418 -0.098 20 0 FBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC001309348728 848198814 /nfs/dbraw/zinc/19/88/14/848198814.db2.gz OGPIPEWOWMWJTC-MQJDWESPSA-N -1 0 350.418 -0.098 20 0 FBADRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC001309348729 848198874 /nfs/dbraw/zinc/19/88/74/848198874.db2.gz OGPIPEWOWMWJTC-WIUDPPPLSA-N -1 0 350.418 -0.098 20 0 FBADRM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC001309348730 848198956 /nfs/dbraw/zinc/19/89/56/848198956.db2.gz OGPIPEWOWMWJTC-WSVYEEACSA-N -1 0 350.418 -0.098 20 0 FBADRM C[S@](=O)(=NS(=O)(=O)[N-]CC(=O)N1CCOCC1)c1ccccc1 ZINC001309356867 848198867 /nfs/dbraw/zinc/19/88/67/848198867.db2.gz DGNSWCGUGHXNQO-JOCHJYFZSA-N -1 0 361.445 -0.164 20 0 FBADRM C[S@@](=O)(=NS(=O)(=O)[N-]CC(=O)N1CCOCC1)c1ccccc1 ZINC001309356868 848198926 /nfs/dbraw/zinc/19/89/26/848198926.db2.gz DGNSWCGUGHXNQO-QFIPXVFZSA-N -1 0 361.445 -0.164 20 0 FBADRM COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O ZINC001309390308 848200733 /nfs/dbraw/zinc/20/07/33/848200733.db2.gz IWKPXMNMNFPJQV-UHFFFAOYSA-N -1 0 370.387 -0.516 20 0 FBADRM CN1C(=O)CN([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)C1=O ZINC001309391098 848200437 /nfs/dbraw/zinc/20/04/37/848200437.db2.gz OLFJNPQMRUIVQA-UHFFFAOYSA-N -1 0 356.385 -0.313 20 0 FBADRM COC(=O)CNC(=O)C[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC001309444106 848203863 /nfs/dbraw/zinc/20/38/63/848203863.db2.gz ILWKTFNRJKYRPU-JOCHJYFZSA-N -1 0 363.417 -0.733 20 0 FBADRM COC(=O)CNC(=O)C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC001309444107 848203880 /nfs/dbraw/zinc/20/38/80/848203880.db2.gz ILWKTFNRJKYRPU-QFIPXVFZSA-N -1 0 363.417 -0.733 20 0 FBADRM COC(=O)CC[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)C(=O)OC ZINC001309468631 848204692 /nfs/dbraw/zinc/20/46/92/848204692.db2.gz VGPYMSFMFQMDCU-SECBINFHSA-N -1 0 356.422 -0.423 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@H](N3CCOCC3)C[C@H]2C)n[nH]1 ZINC001309487668 848205659 /nfs/dbraw/zinc/20/56/59/848205659.db2.gz BARYCHBSSZTQLC-GHMZBOCLSA-N -1 0 358.420 -0.320 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@@H](N3CCOCC3)C[C@H]2C)n[nH]1 ZINC001309487669 848205590 /nfs/dbraw/zinc/20/55/90/848205590.db2.gz BARYCHBSSZTQLC-MNOVXSKESA-N -1 0 358.420 -0.320 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@@H](N3CCOCC3)C[C@@H]2C)n[nH]1 ZINC001309487670 848205412 /nfs/dbraw/zinc/20/54/12/848205412.db2.gz BARYCHBSSZTQLC-QWRGUYRKSA-N -1 0 358.420 -0.320 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2C[C@H](N3CCOCC3)C[C@@H]2C)n[nH]1 ZINC001309487671 848205489 /nfs/dbraw/zinc/20/54/89/848205489.db2.gz BARYCHBSSZTQLC-WDEREUQCSA-N -1 0 358.420 -0.320 20 0 FBADRM CN(C)[S@@](=O)(=NS(=O)(=O)[N-][C@@H]1CC(=O)N(C)C1=O)c1ccccc1 ZINC001309492538 848205527 /nfs/dbraw/zinc/20/55/27/848205527.db2.gz RHNWHAVCFMHIEI-BGJPBQGDSA-N -1 0 374.444 -0.418 20 0 FBADRM CN(C)[S@](=O)(=NS(=O)(=O)[N-][C@H]1CC(=O)N(C)C1=O)c1ccccc1 ZINC001309492539 848205331 /nfs/dbraw/zinc/20/53/31/848205331.db2.gz RHNWHAVCFMHIEI-BSNNYGBQSA-N -1 0 374.444 -0.418 20 0 FBADRM CN(C)[S@](=O)(=NS(=O)(=O)[N-][C@@H]1CC(=O)N(C)C1=O)c1ccccc1 ZINC001309492540 848205000 /nfs/dbraw/zinc/20/50/00/848205000.db2.gz RHNWHAVCFMHIEI-QVQLBTGDSA-N -1 0 374.444 -0.418 20 0 FBADRM CN(C)[S@@](=O)(=NS(=O)(=O)[N-][C@H]1CC(=O)N(C)C1=O)c1ccccc1 ZINC001309492541 848205060 /nfs/dbraw/zinc/20/50/60/848205060.db2.gz RHNWHAVCFMHIEI-RULNZOCKSA-N -1 0 374.444 -0.418 20 0 FBADRM COC(=O)c1cn(CC[N-]S(=O)(=O)N=S2(=O)CCCC2)nn1 ZINC001309493483 848205578 /nfs/dbraw/zinc/20/55/78/848205578.db2.gz NSOIDMJKCFZHCN-UHFFFAOYSA-N -1 0 351.410 -0.839 20 0 FBADRM CNS(=O)(=O)N1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)CC1 ZINC001309493982 848205232 /nfs/dbraw/zinc/20/52/32/848205232.db2.gz QUIJVZIPJMXYEV-UHFFFAOYSA-N -1 0 353.397 -0.698 20 0 FBADRM NS(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1cc([O-])cc(F)c1 ZINC001309496885 848205550 /nfs/dbraw/zinc/20/55/50/848205550.db2.gz MFDVMKVOSJLFEH-JTQLQIEISA-N -1 0 367.424 -0.132 20 0 FBADRM NS(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)c1cc([O-])cc(F)c1 ZINC001309496886 848205100 /nfs/dbraw/zinc/20/51/00/848205100.db2.gz MFDVMKVOSJLFEH-SNVBAGLBSA-N -1 0 367.424 -0.132 20 0 FBADRM O=S(=O)(CC[N-]S(=O)(=O)N=S1(=O)CCCC1)C1CCOCC1 ZINC001309513327 848206932 /nfs/dbraw/zinc/20/69/32/848206932.db2.gz MRCOJGNLFGIRDH-UHFFFAOYSA-N -1 0 374.506 -0.324 20 0 FBADRM CC(C)OC(=O)[C@@H](NS(=O)(=O)CCS(=O)(=O)N(C)C)C(C)C ZINC001309518692 848206947 /nfs/dbraw/zinc/20/69/47/848206947.db2.gz SSIYXLWQCYGWCL-NSHDSACASA-N -1 0 358.482 -0.227 20 0 FBADRM NC(=O)[C@@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)c1ccccn1 ZINC001309523575 848207085 /nfs/dbraw/zinc/20/70/85/848207085.db2.gz JLLYIGCHXWSGMY-AWEZNQCLSA-N -1 0 366.443 -0.072 20 0 FBADRM NC(=O)[C@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)c1ccccn1 ZINC001309523577 848206864 /nfs/dbraw/zinc/20/68/64/848206864.db2.gz JLLYIGCHXWSGMY-CQSZACIVSA-N -1 0 366.443 -0.072 20 0 FBADRM CC(C)(C)OC(=O)C1CCN(S(=O)(=O)NCc2nc(=O)o[n-]2)CC1 ZINC001309558368 848209216 /nfs/dbraw/zinc/20/92/16/848209216.db2.gz MMAZCIKPQUXFBQ-UHFFFAOYSA-N -1 0 362.408 -0.249 20 0 FBADRM CC[C@@](COC)([N-]S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)OC ZINC001309562443 848209186 /nfs/dbraw/zinc/20/91/86/848209186.db2.gz ITNZQERBAUSFPY-AAEUAGOBSA-N -1 0 371.477 -0.301 20 0 FBADRM CC[C@](COC)([N-]S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)OC ZINC001309562444 848209072 /nfs/dbraw/zinc/20/90/72/848209072.db2.gz ITNZQERBAUSFPY-DGCLKSJQSA-N -1 0 371.477 -0.301 20 0 FBADRM CC[C@](COC)([N-]S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)OC ZINC001309562445 848209163 /nfs/dbraw/zinc/20/91/63/848209163.db2.gz ITNZQERBAUSFPY-WCQYABFASA-N -1 0 371.477 -0.301 20 0 FBADRM CC[C@@](COC)([N-]S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)OC ZINC001309562446 848209095 /nfs/dbraw/zinc/20/90/95/848209095.db2.gz ITNZQERBAUSFPY-YPMHNXCESA-N -1 0 371.477 -0.301 20 0 FBADRM O=S(=O)([N-]C[C@@H](O)Cn1ccnn1)c1occc1Br ZINC001309566535 848208674 /nfs/dbraw/zinc/20/86/74/848208674.db2.gz DKUHVFVXLMCZJX-SSDOTTSWSA-N -1 0 351.182 -0.027 20 0 FBADRM O=S(=O)([N-]C[C@H](O)Cn1ccnn1)c1occc1Br ZINC001309566554 848209225 /nfs/dbraw/zinc/20/92/25/848209225.db2.gz DKUHVFVXLMCZJX-ZETCQYMHSA-N -1 0 351.182 -0.027 20 0 FBADRM COC(=O)[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1ccnn1C ZINC001309618214 848212794 /nfs/dbraw/zinc/21/27/94/848212794.db2.gz BNLLHVHLQCYKOU-JTQLQIEISA-N -1 0 350.422 -0.270 20 0 FBADRM COC(=O)[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1ccnn1C ZINC001309618216 848212506 /nfs/dbraw/zinc/21/25/06/848212506.db2.gz BNLLHVHLQCYKOU-SNVBAGLBSA-N -1 0 350.422 -0.270 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCN3CC(F)(F)C[C@H]3C2)n[nH]1 ZINC001309624019 848213108 /nfs/dbraw/zinc/21/31/08/848213108.db2.gz GOGGATBUFAFTTR-QMMMGPOBSA-N -1 0 350.347 -0.090 20 0 FBADRM CN([C@@H]1CCC(=O)N(C)C1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001309635764 848213389 /nfs/dbraw/zinc/21/33/89/848213389.db2.gz SOEYGHYMLDKGQB-MRVPVSSYSA-N -1 0 367.387 -0.323 20 0 FBADRM CN([C@H]1CCC(=O)N(C)C1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001309635765 848213620 /nfs/dbraw/zinc/21/36/20/848213620.db2.gz SOEYGHYMLDKGQB-QMMMGPOBSA-N -1 0 367.387 -0.323 20 0 FBADRM CCO[N-]C(=O)CNS(=O)(=O)N1CCC[C@H]1C(=O)OC(C)(C)C ZINC001309650263 848214636 /nfs/dbraw/zinc/21/46/36/848214636.db2.gz SXERRZSXXHUDNC-JTQLQIEISA-N -1 0 351.425 -0.305 20 0 FBADRM CC(C)(C)OC(=O)[C@]1([N-]S(=O)(=O)CCN2CCOC2=O)CCOC1 ZINC001309659955 848214451 /nfs/dbraw/zinc/21/44/51/848214451.db2.gz WMVDSLMYXXFFFT-AWEZNQCLSA-N -1 0 364.420 -0.141 20 0 FBADRM CC(C)(C)OC(=O)[C@@]1([N-]S(=O)(=O)CCN2CCOC2=O)CCOC1 ZINC001309659956 848214441 /nfs/dbraw/zinc/21/44/41/848214441.db2.gz WMVDSLMYXXFFFT-CQSZACIVSA-N -1 0 364.420 -0.141 20 0 FBADRM COC(=O)c1ccoc1S(=O)(=O)[N-]CCCN1CCC[C@H]1C(N)=O ZINC001309693040 848216769 /nfs/dbraw/zinc/21/67/69/848216769.db2.gz PDJLJUQJYYXMLF-NSHDSACASA-N -1 0 359.404 -0.316 20 0 FBADRM CS(=O)(=O)NC[C@H]1COCCN1S(=O)(=O)c1cc([O-])cc(F)c1 ZINC001309732559 848218592 /nfs/dbraw/zinc/21/85/92/848218592.db2.gz PLSJQYQTQQKSBF-JTQLQIEISA-N -1 0 368.408 -0.530 20 0 FBADRM CS(=O)(=O)NC[C@@H]1COCCN1S(=O)(=O)c1cc([O-])cc(F)c1 ZINC001309732561 848219098 /nfs/dbraw/zinc/21/90/98/848219098.db2.gz PLSJQYQTQQKSBF-SNVBAGLBSA-N -1 0 368.408 -0.530 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@H]2O)oc1Cl ZINC001309766742 848221373 /nfs/dbraw/zinc/22/13/73/848221373.db2.gz WUAXPMXFKLWYNT-RNFRBKRXSA-N -1 0 373.792 -0.844 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC001309769143 848221297 /nfs/dbraw/zinc/22/12/97/848221297.db2.gz PGLLMHWRPQINGJ-UHFFFAOYSA-N -1 0 351.454 -0.697 20 0 FBADRM O=C1OC[C@@]2(C[N-]S(=O)(=O)N=S3(=O)CCCC3)COCCN12 ZINC001309782130 848222485 /nfs/dbraw/zinc/22/24/85/848222485.db2.gz OKUACFTWKXJOQJ-LLVKDONJSA-N -1 0 353.422 -0.696 20 0 FBADRM O=C1OC[C@]2(C[N-]S(=O)(=O)N=S3(=O)CCCC3)COCCN12 ZINC001309782131 848222521 /nfs/dbraw/zinc/22/25/21/848222521.db2.gz OKUACFTWKXJOQJ-NSHDSACASA-N -1 0 353.422 -0.696 20 0 FBADRM CN(C)[S@](=O)(=NS(=O)(=O)[N-][C@@H]1COCC[C@H]1O)c1ccccc1 ZINC001309783918 848222060 /nfs/dbraw/zinc/22/20/60/848222060.db2.gz AVGKXEFWCFJTSD-GIYNXVAASA-N -1 0 363.461 -0.026 20 0 FBADRM CN(C)[S@@](=O)(=NS(=O)(=O)[N-][C@@H]1COCC[C@H]1O)c1ccccc1 ZINC001309783921 848222542 /nfs/dbraw/zinc/22/25/42/848222542.db2.gz AVGKXEFWCFJTSD-VJBOLBCHSA-N -1 0 363.461 -0.026 20 0 FBADRM Cn1ccn2c(CNS(=O)(=O)c3cc([O-])cc(F)c3)nnc2c1=O ZINC001309811589 848225040 /nfs/dbraw/zinc/22/50/40/848225040.db2.gz CYYVMLIWYYWELD-UHFFFAOYSA-N -1 0 353.335 -0.249 20 0 FBADRM Cn1ccn2c(C[N-]S(=O)(=O)N=S3(=O)CCCC3)nnc2c1=O ZINC001309813508 848225313 /nfs/dbraw/zinc/22/53/13/848225313.db2.gz YLRHJQZWBDTDRR-UHFFFAOYSA-N -1 0 360.421 -0.976 20 0 FBADRM COC(=O)[C@@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCCCC1)[C@@H](C)O ZINC001309847721 848228761 /nfs/dbraw/zinc/22/87/61/848228761.db2.gz XDJSXTCKLJUYOX-MNOVXSKESA-N -1 0 351.421 -0.048 20 0 FBADRM CNC(=O)[C@H](Cc1c[nH]cn1)[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC001309857917 848229223 /nfs/dbraw/zinc/22/92/23/848229223.db2.gz QUXKMUVVDXLEDN-MGUXCZDKSA-N -1 0 365.481 -0.203 20 0 FBADRM CNC(=O)[C@H](Cc1c[nH]cn1)[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC001309857918 848229563 /nfs/dbraw/zinc/22/95/63/848229563.db2.gz QUXKMUVVDXLEDN-MLMJSJRWSA-N -1 0 365.481 -0.203 20 0 FBADRM CCS(=O)(CC)=NS(=O)(=O)[N-]CC1(S(=O)(=O)N(C)C)CC1 ZINC001309865336 848231716 /nfs/dbraw/zinc/23/17/16/848231716.db2.gz VSTDMPROKKMBTO-UHFFFAOYSA-N -1 0 361.511 -0.247 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](CO)CCc2ccccc2)c(=O)[nH]c1=O ZINC001309868946 848231486 /nfs/dbraw/zinc/23/14/86/848231486.db2.gz DEDBDQXYVLFKFM-GFCCVEGCSA-N -1 0 353.400 -0.242 20 0 FBADRM CCC[C@H](C(=O)OCC)S(=O)(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001309869003 848231603 /nfs/dbraw/zinc/23/16/03/848231603.db2.gz MUWOPIHDKZITCE-SECBINFHSA-N -1 0 357.392 -0.431 20 0 FBADRM CCC[C@@H](C(=O)OCC)S(=O)(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001309869004 848231624 /nfs/dbraw/zinc/23/16/24/848231624.db2.gz MUWOPIHDKZITCE-VIFPVBQESA-N -1 0 357.392 -0.431 20 0 FBADRM O=S(=O)(c1cc([O-])cc(F)c1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001309892864 848234313 /nfs/dbraw/zinc/23/43/13/848234313.db2.gz VDSBUEWJFHMONS-SECBINFHSA-N -1 0 351.381 -0.946 20 0 FBADRM O=S(=O)(c1cc([O-])cc(F)c1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001309892946 848234645 /nfs/dbraw/zinc/23/46/45/848234645.db2.gz VDSBUEWJFHMONS-VIFPVBQESA-N -1 0 351.381 -0.946 20 0 FBADRM O=S(=O)(CC[N-]S(=O)(=O)N=S1(=O)CCCC1)N1CCCC1 ZINC001309899217 848234773 /nfs/dbraw/zinc/23/47/73/848234773.db2.gz QHIIUHSYVGWTHG-UHFFFAOYSA-N -1 0 359.495 -0.492 20 0 FBADRM O=C1CCCN1C1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC001309900614 848234209 /nfs/dbraw/zinc/23/42/09/848234209.db2.gz PGJRKJZMLZLPMN-UHFFFAOYSA-N -1 0 365.371 -0.569 20 0 FBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC001309914900 848236187 /nfs/dbraw/zinc/23/61/87/848236187.db2.gz CAYFMCGXHQYZEX-UHFFFAOYSA-N -1 0 363.417 -0.917 20 0 FBADRM CNC(=O)c1cc(Cl)cc(S(=O)(=O)NCC(=O)[N-]OC)c1OC ZINC001309915609 848236297 /nfs/dbraw/zinc/23/62/97/848236297.db2.gz GHWHDYCQLISMES-UHFFFAOYSA-N -1 0 365.795 -0.336 20 0 FBADRM CCC(=O)NCc1cc(S(=O)(=O)NCC(=O)[N-]OC)ccc1OC ZINC001309915672 848235887 /nfs/dbraw/zinc/23/58/87/848235887.db2.gz HZWAVFKSXSCKMU-UHFFFAOYSA-N -1 0 359.404 -0.323 20 0 FBADRM CO[N-]C(=O)CNS(=O)(=O)N=[S@@](=O)(c1ccccc1)N(C)C ZINC001309916562 848236016 /nfs/dbraw/zinc/23/60/16/848236016.db2.gz OEAVDGODZNIVDO-NRFANRHFSA-N -1 0 350.422 -0.498 20 0 FBADRM CO[N-]C(=O)CNS(=O)(=O)N=[S@](=O)(c1ccccc1)N(C)C ZINC001309916663 848237151 /nfs/dbraw/zinc/23/71/51/848237151.db2.gz OEAVDGODZNIVDO-OAQYLSRUSA-N -1 0 350.422 -0.498 20 0 FBADRM CO[N-]C(=O)CNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC001309917194 848236761 /nfs/dbraw/zinc/23/67/61/848236761.db2.gz YKDCQGIAQSYYTP-UHFFFAOYSA-N -1 0 351.768 -0.840 20 0 FBADRM CO[N-]C(=O)CNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC001309917208 848237250 /nfs/dbraw/zinc/23/72/50/848237250.db2.gz YWZCVXBQBWEWEH-UHFFFAOYSA-N -1 0 358.344 -0.361 20 0 FBADRM COCCn1cc(CNS(=O)(=O)c2ccccc2[O-])c(=O)[nH]c1=O ZINC001309951806 848239741 /nfs/dbraw/zinc/23/97/41/848239741.db2.gz BYLXZAWJTDSIKW-UHFFFAOYSA-N -1 0 355.372 -0.221 20 0 FBADRM COCCNS(=O)(=O)c1ccc(NC(=O)NCC(=O)[N-]OC)cc1 ZINC001310320319 848243065 /nfs/dbraw/zinc/24/30/65/848243065.db2.gz CZCIIRKNLJRHPS-UHFFFAOYSA-N -1 0 360.392 -0.590 20 0 FBADRM CCn1[n-]nnc1=NC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001310734181 848247851 /nfs/dbraw/zinc/24/78/51/848247851.db2.gz GCTPUESNGBYMOA-VHSXEESVSA-N -1 0 355.399 -0.536 20 0 FBADRM CCn1[n-]nnc1=NC(=O)NC[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001310734634 848248029 /nfs/dbraw/zinc/24/80/29/848248029.db2.gz VZUQDRXGGAOUIY-JTQLQIEISA-N -1 0 355.399 -0.128 20 0 FBADRM CCn1[n-]nnc1=NC(=O)NC[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001310734635 848247927 /nfs/dbraw/zinc/24/79/27/848247927.db2.gz VZUQDRXGGAOUIY-SNVBAGLBSA-N -1 0 355.399 -0.128 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001310734707 848247697 /nfs/dbraw/zinc/24/76/97/848247697.db2.gz YLMCOOODUSKTPW-NXEZZACHSA-N -1 0 355.399 -0.393 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC001310734708 848247528 /nfs/dbraw/zinc/24/75/28/848247528.db2.gz YLMCOOODUSKTPW-UWVGGRQHSA-N -1 0 355.399 -0.393 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001310734709 848247750 /nfs/dbraw/zinc/24/77/50/848247750.db2.gz YLMCOOODUSKTPW-VHSXEESVSA-N -1 0 355.399 -0.393 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC001310734710 848248004 /nfs/dbraw/zinc/24/80/04/848248004.db2.gz YLMCOOODUSKTPW-ZJUUUORDSA-N -1 0 355.399 -0.393 20 0 FBADRM CCn1[n-]nnc1=NC(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC001310735891 848247902 /nfs/dbraw/zinc/24/79/02/848247902.db2.gz BFZYZIISWFWKBB-UHFFFAOYSA-N -1 0 359.437 -0.415 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N[C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC001310737934 848247722 /nfs/dbraw/zinc/24/77/22/848247722.db2.gz RCOIBNSDAISJEJ-SECBINFHSA-N -1 0 353.408 -0.094 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N[C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC001310737935 848248032 /nfs/dbraw/zinc/24/80/32/848248032.db2.gz RCOIBNSDAISJEJ-VIFPVBQESA-N -1 0 353.408 -0.094 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC001310738069 848247798 /nfs/dbraw/zinc/24/77/98/848247798.db2.gz SGISWTBDVWCYQQ-UHFFFAOYSA-N -1 0 357.440 -0.463 20 0 FBADRM CCn1[n-]nnc1=NC(=O)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC001310738077 848247877 /nfs/dbraw/zinc/24/78/77/848247877.db2.gz SMQJDFYIFFCWRI-UHFFFAOYSA-N -1 0 365.419 -0.024 20 0 FBADRM CCNS(=O)(=O)c1ccc(CNC(=O)N=c2nn[n-]n2CC)cc1 ZINC001310738215 848247889 /nfs/dbraw/zinc/24/78/89/848247889.db2.gz VIZUACQAEBHYPI-UHFFFAOYSA-N -1 0 353.408 -0.265 20 0 FBADRM CCn1[n-]nnc1=NC(=O)N1CCc2c(cccc2S(=O)(=O)NC)C1 ZINC001310738590 848247956 /nfs/dbraw/zinc/24/79/56/848247956.db2.gz YXKYAGKBZKHRPK-UHFFFAOYSA-N -1 0 365.419 -0.387 20 0 FBADRM CO[N-]C(=O)CNC(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001311753282 848257344 /nfs/dbraw/zinc/25/73/44/848257344.db2.gz IEAIHTNWGSEKLY-UHFFFAOYSA-N -1 0 359.427 -0.484 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCCN2C(=O)CNC2=O)C1 ZINC001311934145 848261572 /nfs/dbraw/zinc/26/15/72/848261572.db2.gz ZXRKCXMMWPRRDC-GFCCVEGCSA-N -1 0 365.312 -0.609 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCCN2C(=O)CNC2=O)C1 ZINC001311934146 848261058 /nfs/dbraw/zinc/26/10/58/848261058.db2.gz ZXRKCXMMWPRRDC-LBPRGKRZSA-N -1 0 365.312 -0.609 20 0 FBADRM CO[N-]C(=O)CNC(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC001312328944 848267050 /nfs/dbraw/zinc/26/70/50/848267050.db2.gz OIWQMUZIAODDKA-UHFFFAOYSA-N -1 0 350.422 -0.655 20 0 FBADRM COCCS(=O)(=O)c1ccc(CNC(=O)NCC(=O)[N-]OC)cc1 ZINC001312497175 848270333 /nfs/dbraw/zinc/27/03/33/848270333.db2.gz ATXFONRPUMDLCU-UHFFFAOYSA-N -1 0 359.404 -0.417 20 0 FBADRM CNS(=O)(=O)CCNC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001312522024 848270852 /nfs/dbraw/zinc/27/08/52/848270852.db2.gz DAMCPEYWWUWLEG-IUCAKERBSA-N -1 0 374.385 -0.223 20 0 FBADRM CO[N-]C(=O)CNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC001312586368 848271968 /nfs/dbraw/zinc/27/19/68/848271968.db2.gz PUHCMBXVLDRPPD-UHFFFAOYSA-N -1 0 366.346 -0.780 20 0 FBADRM CO[N-]C(=O)CNC(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1 ZINC001312838421 848278508 /nfs/dbraw/zinc/27/85/08/848278508.db2.gz OIMNTGBJWUHSSG-UHFFFAOYSA-N -1 0 358.420 -0.150 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001312960377 848281077 /nfs/dbraw/zinc/28/10/77/848281077.db2.gz ICQMAXVWHAUEQG-HNNXBMFYSA-N -1 0 360.411 -0.275 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001312960378 848281031 /nfs/dbraw/zinc/28/10/31/848281031.db2.gz ICQMAXVWHAUEQG-OAHLLOKOSA-N -1 0 360.411 -0.275 20 0 FBADRM CCO[N-]C(=O)CNC(=O)NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC001312960847 848280935 /nfs/dbraw/zinc/28/09/35/848280935.db2.gz LLFYDFXWBPSDSH-UHFFFAOYSA-N -1 0 367.284 -0.622 20 0 FBADRM CO[C@]1(CNC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CCS(=O)(=O)C1 ZINC001313317917 848291647 /nfs/dbraw/zinc/29/16/47/848291647.db2.gz FXRIVDUDVHBCLS-HZMBPMFUSA-N -1 0 373.435 -0.397 20 0 FBADRM CO[C@@]1(CNC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CCS(=O)(=O)C1 ZINC001313317918 848291727 /nfs/dbraw/zinc/29/17/27/848291727.db2.gz FXRIVDUDVHBCLS-IINYFYTJSA-N -1 0 373.435 -0.397 20 0 FBADRM CO[C@@]1(CNC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CCS(=O)(=O)C1 ZINC001313317919 848291818 /nfs/dbraw/zinc/29/18/18/848291818.db2.gz FXRIVDUDVHBCLS-QMTHXVAHSA-N -1 0 373.435 -0.397 20 0 FBADRM CO[C@]1(CNC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CCS(=O)(=O)C1 ZINC001313317920 848291564 /nfs/dbraw/zinc/29/15/64/848291564.db2.gz FXRIVDUDVHBCLS-YGRLFVJLSA-N -1 0 373.435 -0.397 20 0 FBADRM CO[N-]C(=O)CNC(=O)NC[C@@](C)(O)Cc1ccc(OC)c(OC)c1 ZINC001313360544 848293688 /nfs/dbraw/zinc/29/36/88/848293688.db2.gz BYJGVUSGWPDRGM-INIZCTEOSA-N -1 0 355.391 -0.026 20 0 FBADRM CO[N-]C(=O)CNC(=O)NC[C@](C)(O)Cc1ccc(OC)c(OC)c1 ZINC001313360546 848293773 /nfs/dbraw/zinc/29/37/73/848293773.db2.gz BYJGVUSGWPDRGM-MRXNPFEDSA-N -1 0 355.391 -0.026 20 0 FBADRM CO[N-]C(=O)CNC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O ZINC001313361185 848293381 /nfs/dbraw/zinc/29/33/81/848293381.db2.gz JOTCWQUSEWELDE-UHFFFAOYSA-N -1 0 350.331 -0.249 20 0 FBADRM CNS(=O)(=O)c1cccc2c1CCN(C(=O)NCC(=O)[N-]OC)C2 ZINC001313361826 848293233 /nfs/dbraw/zinc/29/32/33/848293233.db2.gz NRNXNBCELOESBA-UHFFFAOYSA-N -1 0 356.404 -0.660 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1 ZINC001313362171 848293509 /nfs/dbraw/zinc/29/35/09/848293509.db2.gz PPSYBTAPYZMAHP-QWHCGFSZSA-N -1 0 351.359 -0.032 20 0 FBADRM CO[N-]C(=O)CNC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC001313363287 848294143 /nfs/dbraw/zinc/29/41/43/848294143.db2.gz XNBNNESAUXDYIK-UHFFFAOYSA-N -1 0 351.363 -0.589 20 0 FBADRM Cn1nnnc1CCCNC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001313403728 848295502 /nfs/dbraw/zinc/29/55/02/848295502.db2.gz BBFJPLSQLBEFKS-GFCCVEGCSA-N -1 0 363.344 -0.005 20 0 FBADRM Cn1nnnc1CCCNC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001313403729 848295876 /nfs/dbraw/zinc/29/58/76/848295876.db2.gz BBFJPLSQLBEFKS-LBPRGKRZSA-N -1 0 363.344 -0.005 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@]23CCC(=O)N2CCS3)cc1 ZINC001317872850 848344527 /nfs/dbraw/zinc/34/45/27/848344527.db2.gz CDISPPKBMGYWAH-AWEZNQCLSA-N -1 0 369.424 -0.344 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@]23CCC(=O)N2CCS3)cc1 ZINC001317872851 848344553 /nfs/dbraw/zinc/34/45/53/848344553.db2.gz CDISPPKBMGYWAH-CQSZACIVSA-N -1 0 369.424 -0.344 20 0 FBADRM O=C(CS(=O)(=O)c1nc2ccccc2[n-]1)N[C@@H]1CCS(=O)(=O)C1 ZINC001317873236 848344934 /nfs/dbraw/zinc/34/49/34/848344934.db2.gz SIDPNCBUJGKVMG-SECBINFHSA-N -1 0 357.413 -0.360 20 0 FBADRM O=C(CS(=O)(=O)c1nc2ccccc2[n-]1)N[C@H]1CCS(=O)(=O)C1 ZINC001317873340 848345001 /nfs/dbraw/zinc/34/50/01/848345001.db2.gz SIDPNCBUJGKVMG-VIFPVBQESA-N -1 0 357.413 -0.360 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCCC2)[N-]S(=O)(=O)c1cccnc1 ZINC001317875607 848344770 /nfs/dbraw/zinc/34/47/70/848344770.db2.gz RVIBOXWLUKVITC-UHFFFAOYSA-N -1 0 351.388 -0.329 20 0 FBADRM NC(=O)[C@H]1CC(C(=O)[N-]S(=O)(=O)C(F)F)=NN1c1ccc(F)cc1 ZINC001317877307 848344785 /nfs/dbraw/zinc/34/47/85/848344785.db2.gz HBGYZDXSRVMCQZ-SECBINFHSA-N -1 0 364.305 -0.086 20 0 FBADRM NC(=O)[C@@H]1CC(C(=O)[N-]S(=O)(=O)C(F)F)=NN1c1ccc(F)cc1 ZINC001317877316 848344725 /nfs/dbraw/zinc/34/47/25/848344725.db2.gz HBGYZDXSRVMCQZ-VIFPVBQESA-N -1 0 364.305 -0.086 20 0 FBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C ZINC001317879318 848345014 /nfs/dbraw/zinc/34/50/14/848345014.db2.gz HKLBUXDBIACNEF-SECBINFHSA-N -1 0 356.404 -0.497 20 0 FBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C ZINC001317879320 848344885 /nfs/dbraw/zinc/34/48/85/848344885.db2.gz HKLBUXDBIACNEF-VIFPVBQESA-N -1 0 356.404 -0.497 20 0 FBADRM O=C([N-]S(=O)(=O)C(F)F)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC001317880213 848345330 /nfs/dbraw/zinc/34/53/30/848345330.db2.gz UQWKKHYBVJSJSR-UHFFFAOYSA-N -1 0 374.343 -0.417 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCCC2 ZINC001317886727 848345619 /nfs/dbraw/zinc/34/56/19/848345619.db2.gz YUPNUGGBWVDPPH-UHFFFAOYSA-N -1 0 369.403 -0.119 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC001317888480 848345249 /nfs/dbraw/zinc/34/52/49/848345249.db2.gz GMWKDKYLZPFHLK-JTQLQIEISA-N -1 0 351.384 -0.399 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC001317888481 848345498 /nfs/dbraw/zinc/34/54/98/848345498.db2.gz GMWKDKYLZPFHLK-SNVBAGLBSA-N -1 0 351.384 -0.399 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)C(F)F)C1=NS(=O)(=O)c2ccccc21 ZINC001317889564 848345610 /nfs/dbraw/zinc/34/56/10/848345610.db2.gz RNOAUSNQYUDBOC-UHFFFAOYSA-N -1 0 367.355 -0.264 20 0 FBADRM Cc1nc2ncnn2c(C)c1CCC(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC001317897196 848345765 /nfs/dbraw/zinc/34/57/65/848345765.db2.gz JOZZDIGVBMNECP-UHFFFAOYSA-N -1 0 363.403 -0.088 20 0 FBADRM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)CN(C)C(C)=O ZINC001317897525 848345825 /nfs/dbraw/zinc/34/58/25/848345825.db2.gz OIUHPUFGIUMWBD-UHFFFAOYSA-N -1 0 357.388 -0.063 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)NC)n(C)c2)cn1 ZINC001317900239 848346347 /nfs/dbraw/zinc/34/63/47/848346347.db2.gz PTTBPQZULDXDJO-UHFFFAOYSA-N -1 0 354.392 -0.872 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)CCc1cnn(C)c1 ZINC001317910547 848346079 /nfs/dbraw/zinc/34/60/79/848346079.db2.gz RKELTDSSUNAKEE-UHFFFAOYSA-N -1 0 365.415 -0.045 20 0 FBADRM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)c1 ZINC001317918578 848347418 /nfs/dbraw/zinc/34/74/18/848347418.db2.gz XENPWXNTGVXGPC-UHFFFAOYSA-N -1 0 351.388 -0.129 20 0 FBADRM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)NC(C)=O ZINC001317921753 848347215 /nfs/dbraw/zinc/34/72/15/848347215.db2.gz FWCDNRUULNXEEL-MRVPVSSYSA-N -1 0 357.388 -0.017 20 0 FBADRM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@H](C)NC(C)=O ZINC001317921756 848347363 /nfs/dbraw/zinc/34/73/63/848347363.db2.gz FWCDNRUULNXEEL-QMMMGPOBSA-N -1 0 357.388 -0.017 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CCn2ccccc2=O)cc1C(N)=O ZINC001317921901 848347448 /nfs/dbraw/zinc/34/74/48/848347448.db2.gz HNFDCTRVDQNONX-UHFFFAOYSA-N -1 0 352.372 -0.819 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)N2CCOCC2)cc1 ZINC001317922772 848347922 /nfs/dbraw/zinc/34/79/22/848347922.db2.gz UVFJZAYCWWOPJL-UHFFFAOYSA-N -1 0 369.399 -0.771 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21 ZINC001317953082 848349834 /nfs/dbraw/zinc/34/98/34/848349834.db2.gz PDNFSJVREOZLCP-ATZCPNFKSA-N -1 0 350.466 -0.365 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC001317953090 848349872 /nfs/dbraw/zinc/34/98/72/848349872.db2.gz PDNFSJVREOZLCP-QXEWZRGKSA-N -1 0 350.466 -0.365 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12 ZINC001317953091 848349737 /nfs/dbraw/zinc/34/97/37/848349737.db2.gz PDNFSJVREOZLCP-WCABBAIRSA-N -1 0 350.466 -0.365 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12 ZINC001317953092 848350185 /nfs/dbraw/zinc/35/01/85/848350185.db2.gz PDNFSJVREOZLCP-YWVKMMECSA-N -1 0 350.466 -0.365 20 0 FBADRM CCCCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)N(C)C)CC1 ZINC001317979814 848351819 /nfs/dbraw/zinc/35/18/19/848351819.db2.gz POVXXSMGIPLVJW-UHFFFAOYSA-N -1 0 355.482 -0.249 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)CCC(=O)N1CC(=O)Nc2ccccc21 ZINC001318026014 848354607 /nfs/dbraw/zinc/35/46/07/848354607.db2.gz PZHZHCXYDIKWEC-UHFFFAOYSA-N -1 0 354.388 -0.326 20 0 FBADRM O=C(CN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)C1CCOCC1 ZINC001318044239 848355639 /nfs/dbraw/zinc/35/56/39/848355639.db2.gz CTTQCOHYACUGDF-UHFFFAOYSA-N -1 0 359.404 -0.524 20 0 FBADRM O=C(CCN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)C1CCOCC1 ZINC001318044713 848355364 /nfs/dbraw/zinc/35/53/64/848355364.db2.gz LPZGQRMKQVIRJR-UHFFFAOYSA-N -1 0 373.431 -0.134 20 0 FBADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)C1CCOCC1 ZINC001318045258 848355725 /nfs/dbraw/zinc/35/57/25/848355725.db2.gz VENOHGVFYLTYNP-LLVKDONJSA-N -1 0 354.450 -0.575 20 0 FBADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C1CCOCC1 ZINC001318045260 848355705 /nfs/dbraw/zinc/35/57/05/848355705.db2.gz VENOHGVFYLTYNP-NSHDSACASA-N -1 0 354.450 -0.575 20 0 FBADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)C2CCOCC2)C1=O ZINC001318059162 848356251 /nfs/dbraw/zinc/35/62/51/848356251.db2.gz OUINMTQCEMKNTP-AWEZNQCLSA-N -1 0 359.404 -0.668 20 0 FBADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)C2CCOCC2)C1=O ZINC001318059163 848356324 /nfs/dbraw/zinc/35/63/24/848356324.db2.gz OUINMTQCEMKNTP-CQSZACIVSA-N -1 0 359.404 -0.668 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCCC2)[N-]S(=O)(=O)C1CCOCC1 ZINC001318059457 848356507 /nfs/dbraw/zinc/35/65/07/848356507.db2.gz XRCZPWVXFMWQEE-UHFFFAOYSA-N -1 0 358.420 -0.604 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)C2CCOCC2)ccc1OCC(N)=O ZINC001318059481 848356201 /nfs/dbraw/zinc/35/62/01/848356201.db2.gz ZCTWZRRFDCCZSU-UHFFFAOYSA-N -1 0 372.399 -0.202 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)c2cccc(N3CCNC3=O)c2)n[n-]1 ZINC001318071980 848356522 /nfs/dbraw/zinc/35/65/22/848356522.db2.gz CADGTLPZSZAWJS-UHFFFAOYSA-N -1 0 350.360 -0.010 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC001318090859 848358140 /nfs/dbraw/zinc/35/81/40/848358140.db2.gz DJUPMKZANNCBGQ-SECBINFHSA-N -1 0 367.474 -0.176 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC001318090860 848358073 /nfs/dbraw/zinc/35/80/73/848358073.db2.gz DJUPMKZANNCBGQ-VIFPVBQESA-N -1 0 367.474 -0.176 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)c2ccc(N3CCOCC3)nc2)n[n-]1 ZINC001318102582 848358314 /nfs/dbraw/zinc/35/83/14/848358314.db2.gz FEFBFAZZCMTWIA-UHFFFAOYSA-N -1 0 352.376 -0.308 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CCS(=O)(=O)C2CCCC2)n[n-]1 ZINC001318102882 848358104 /nfs/dbraw/zinc/35/81/04/848358104.db2.gz NRCQYSNAPMYEOU-UHFFFAOYSA-N -1 0 350.422 -0.106 20 0 FBADRM COCCS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)N(C)C)cc1 ZINC001318112513 848358257 /nfs/dbraw/zinc/35/82/57/848358257.db2.gz ZCXHTTKNUYRDTO-UHFFFAOYSA-N -1 0 350.418 -0.357 20 0 FBADRM CS(=O)(=O)c1nnc(NC(=O)c2ccc(N3CCNC3=O)cc2)[n-]1 ZINC001318133960 848358932 /nfs/dbraw/zinc/35/89/32/848358932.db2.gz ZPMVVOPMACIADZ-UHFFFAOYSA-N -1 0 350.360 -0.010 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)Cc2csc(N3CCCC3=O)n2)n[n-]1 ZINC001318140830 848359064 /nfs/dbraw/zinc/35/90/64/848359064.db2.gz IGRLSFFCUIWFEO-UHFFFAOYSA-N -1 0 370.416 -0.027 20 0 FBADRM NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CN2CCSC2=O)cc1 ZINC001318145887 848359017 /nfs/dbraw/zinc/35/90/17/848359017.db2.gz MFJKJXXAABNIKO-UHFFFAOYSA-N -1 0 372.428 -0.171 20 0 FBADRM Cn1cc(CC(=O)[N-]S(=O)(=O)c2ccc(CNC(N)=O)cc2)cn1 ZINC001318156350 848360208 /nfs/dbraw/zinc/36/02/08/848360208.db2.gz HLEFMEPCAGHYBH-UHFFFAOYSA-N -1 0 351.388 -0.364 20 0 FBADRM CN(CC(N)=O)C(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C)c1 ZINC001318164705 848359729 /nfs/dbraw/zinc/35/97/29/848359729.db2.gz ZIKNMZSREUMVNJ-UHFFFAOYSA-N -1 0 357.417 -0.160 20 0 FBADRM O=C(Cc1ccc(-n2cnnn2)cc1)[N-]S(=O)(=O)C1CCOCC1 ZINC001318171583 848360746 /nfs/dbraw/zinc/36/07/46/848360746.db2.gz HWXRAYBNYUPSBN-UHFFFAOYSA-N -1 0 351.388 -0.170 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)C2CCOCC2)o1 ZINC001318172031 848360684 /nfs/dbraw/zinc/36/06/84/848360684.db2.gz LDZJBHOSMVDSPA-UHFFFAOYSA-N -1 0 366.417 -0.232 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)CCCN2C(=O)CNC2=O)c1Cl ZINC001318172300 848361133 /nfs/dbraw/zinc/36/11/33/848361133.db2.gz SFFZUIWCOADFMQ-UHFFFAOYSA-N -1 0 363.783 -0.790 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2COCCO2)s1 ZINC001318172597 848360880 /nfs/dbraw/zinc/36/08/80/848360880.db2.gz XCICSPHEKIROJF-LLVKDONJSA-N -1 0 362.429 -0.353 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCO2)s1 ZINC001318172599 848361007 /nfs/dbraw/zinc/36/10/07/848361007.db2.gz XCICSPHEKIROJF-NSHDSACASA-N -1 0 362.429 -0.353 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)CCN1CCCC1=O ZINC001318216443 848362702 /nfs/dbraw/zinc/36/27/02/848362702.db2.gz OZZIKSBYTGBKGG-UHFFFAOYSA-N -1 0 368.415 -0.399 20 0 FBADRM CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cn1 ZINC001318221439 848362762 /nfs/dbraw/zinc/36/27/62/848362762.db2.gz LZTVZWHVSPDBQJ-UHFFFAOYSA-N -1 0 354.392 -0.791 20 0 FBADRM COCCOCC(=O)NC1CCC(C(=O)[N-]S(=O)(=O)N(C)C)CC1 ZINC001318242986 848363993 /nfs/dbraw/zinc/36/39/93/848363993.db2.gz SXBWOHXTYVFJPK-UHFFFAOYSA-N -1 0 365.452 -0.753 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC(S(N)(=O)=O)CC1 ZINC001318288293 848367056 /nfs/dbraw/zinc/36/70/56/848367056.db2.gz BEECJFBKLHOKIM-UHFFFAOYSA-N -1 0 361.445 -0.049 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)CSCC(=O)N2CCCCC2)n[n-]1 ZINC001318298074 848367854 /nfs/dbraw/zinc/36/78/54/848367854.db2.gz SJFCBYGPSFMAHI-UHFFFAOYSA-N -1 0 361.449 -0.108 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC001318314499 848368779 /nfs/dbraw/zinc/36/87/79/848368779.db2.gz RHHOEMTVJILYPM-JTQLQIEISA-N -1 0 351.388 -0.751 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001318314500 848368442 /nfs/dbraw/zinc/36/84/42/848368442.db2.gz RHHOEMTVJILYPM-SNVBAGLBSA-N -1 0 351.388 -0.751 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CC[C@H](C(N)=O)C2)c1 ZINC001318344160 848370561 /nfs/dbraw/zinc/37/05/61/848370561.db2.gz LYFONNOJZVGJGY-JTQLQIEISA-N -1 0 368.415 -0.036 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CC[C@@H](C(N)=O)C2)c1 ZINC001318344161 848370130 /nfs/dbraw/zinc/37/01/30/848370130.db2.gz LYFONNOJZVGJGY-SNVBAGLBSA-N -1 0 368.415 -0.036 20 0 FBADRM COc1ccc(CN2C[C@H](C(=O)[N-]S(=O)(=O)N(C)C)CC2=O)cc1 ZINC001318345987 848371237 /nfs/dbraw/zinc/37/12/37/848371237.db2.gz PQIWKQHYONYGLD-GFCCVEGCSA-N -1 0 355.416 -0.034 20 0 FBADRM COc1ccc(CN2C[C@@H](C(=O)[N-]S(=O)(=O)N(C)C)CC2=O)cc1 ZINC001318345988 848371005 /nfs/dbraw/zinc/37/10/05/848371005.db2.gz PQIWKQHYONYGLD-LBPRGKRZSA-N -1 0 355.416 -0.034 20 0 FBADRM CNC(=O)CN(C)C(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O ZINC001318368503 848372122 /nfs/dbraw/zinc/37/21/22/848372122.db2.gz VOGBJTIPGRYDIH-UHFFFAOYSA-N -1 0 356.404 -0.166 20 0 FBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC001318392517 848373764 /nfs/dbraw/zinc/37/37/64/848373764.db2.gz YBUQAQCTYHNEGO-UHFFFAOYSA-N -1 0 363.417 -0.065 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC001318412538 848374668 /nfs/dbraw/zinc/37/46/68/848374668.db2.gz IDTNCMPQNLWDGC-UHFFFAOYSA-N -1 0 357.392 -0.516 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCNC(=O)CC2)c1 ZINC001318412825 848374982 /nfs/dbraw/zinc/37/49/82/848374982.db2.gz GRCGPSRUKDUOQQ-UHFFFAOYSA-N -1 0 368.415 -0.021 20 0 FBADRM CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)C1 ZINC001318415036 848374956 /nfs/dbraw/zinc/37/49/56/848374956.db2.gz GVVOFAZLAIJMJJ-SECBINFHSA-N -1 0 359.429 -0.090 20 0 FBADRM CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)C1 ZINC001318415040 848374940 /nfs/dbraw/zinc/37/49/40/848374940.db2.gz GVVOFAZLAIJMJJ-VIFPVBQESA-N -1 0 359.429 -0.090 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)CCn1nnc2ccccc2c1=O ZINC001318415956 848374970 /nfs/dbraw/zinc/37/49/70/848374970.db2.gz YFSIFSWTLAXOMN-UHFFFAOYSA-N -1 0 353.404 -0.116 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)C1CCC(NC(=O)COCCOC)CC1 ZINC001318417503 848374730 /nfs/dbraw/zinc/37/47/30/848374730.db2.gz VEOQTFDLBMQTOZ-UHFFFAOYSA-N -1 0 350.437 -0.210 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC001318423661 848375837 /nfs/dbraw/zinc/37/58/37/848375837.db2.gz BUDILVNMUWCNHN-UHFFFAOYSA-N -1 0 360.436 -0.056 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC001318428708 841779154 /nfs/dbraw/zinc/77/91/54/841779154.db2.gz ZVYNRSJDFMLWTG-UHFFFAOYSA-N -1 0 355.482 -0.249 20 0 FBADRM O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCc1nnn[n-]1 ZINC001318433135 848376195 /nfs/dbraw/zinc/37/61/95/848376195.db2.gz DQHALCGXAMRKMS-UHFFFAOYSA-N -1 0 372.432 -0.859 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N[C@@H]1CCCN(CC(N)=O)C1 ZINC001318446918 848377031 /nfs/dbraw/zinc/37/70/31/848377031.db2.gz LNSZQBGGIMUBLQ-LLVKDONJSA-N -1 0 372.422 -0.123 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N[C@H]1CCCN(CC(N)=O)C1 ZINC001318446920 848377115 /nfs/dbraw/zinc/37/71/15/848377115.db2.gz LNSZQBGGIMUBLQ-NSHDSACASA-N -1 0 372.422 -0.123 20 0 FBADRM CN(CCNS(C)(=O)=O)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC001318465332 848378664 /nfs/dbraw/zinc/37/86/64/848378664.db2.gz UDZQIIDGBLQXCK-UHFFFAOYSA-N -1 0 370.456 -0.157 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)CC1 ZINC001318466881 848378857 /nfs/dbraw/zinc/37/88/57/848378857.db2.gz BSEVOGQBYYMNNA-LLVKDONJSA-N -1 0 354.450 -0.717 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)CC1 ZINC001318466882 848378627 /nfs/dbraw/zinc/37/86/27/848378627.db2.gz BSEVOGQBYYMNNA-NSHDSACASA-N -1 0 354.450 -0.717 20 0 FBADRM CN(CCNS(C)(=O)=O)C(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC001318470445 848379216 /nfs/dbraw/zinc/37/92/16/848379216.db2.gz FSIYJZWVEIARDL-UHFFFAOYSA-N -1 0 367.424 -0.182 20 0 FBADRM O=C(CCc1nc(-c2ncccn2)no1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC001318482449 848379178 /nfs/dbraw/zinc/37/91/78/848379178.db2.gz AFTSQSKTANPSNA-SECBINFHSA-N -1 0 353.360 -0.306 20 0 FBADRM O=C(CCc1nc(-c2ncccn2)no1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC001318482451 848379483 /nfs/dbraw/zinc/37/94/83/848379483.db2.gz AFTSQSKTANPSNA-VIFPVBQESA-N -1 0 353.360 -0.306 20 0 FBADRM O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001318490936 848380023 /nfs/dbraw/zinc/38/00/23/848380023.db2.gz LMBNLLAOWFRVKW-SECBINFHSA-N -1 0 358.280 -0.020 20 0 FBADRM O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001318490939 848380120 /nfs/dbraw/zinc/38/01/20/848380120.db2.gz LMBNLLAOWFRVKW-VIFPVBQESA-N -1 0 358.280 -0.020 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC001318497775 848381133 /nfs/dbraw/zinc/38/11/33/848381133.db2.gz DADLTBOEQMQMKC-UHFFFAOYSA-N -1 0 370.449 -0.943 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCCC2 ZINC001318498646 848381377 /nfs/dbraw/zinc/38/13/77/848381377.db2.gz LJHHDLYYVWNUGR-UHFFFAOYSA-N -1 0 374.419 -0.830 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)Cn1ncc2ccccc2c1=O ZINC001318521409 848382141 /nfs/dbraw/zinc/38/21/41/848382141.db2.gz JRNVIMHIZYKYLZ-UHFFFAOYSA-N -1 0 367.383 -0.204 20 0 FBADRM CCN(C1CCCCC1)S(=O)(=O)[N-]C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001318538598 848384028 /nfs/dbraw/zinc/38/40/28/848384028.db2.gz CGMINDOHZHNJAU-UHFFFAOYSA-N -1 0 372.447 -0.287 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCCC2)[N-]S(=O)(=O)c1ccccn1 ZINC001318552844 848384896 /nfs/dbraw/zinc/38/48/96/848384896.db2.gz QZZLQBUMJRWJGJ-UHFFFAOYSA-N -1 0 351.388 -0.329 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC001318567932 848385824 /nfs/dbraw/zinc/38/58/24/848385824.db2.gz TUGABISGGVEQLC-UHFFFAOYSA-N -1 0 352.438 -0.420 20 0 FBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C ZINC001318598473 848387856 /nfs/dbraw/zinc/38/78/56/848387856.db2.gz LXFZJIDSGBBEHW-UHFFFAOYSA-N -1 0 372.403 -0.276 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)C1CCC2(CC1)NC(=O)NC2=O ZINC001318598946 848387944 /nfs/dbraw/zinc/38/79/44/848387944.db2.gz INVJMCCWLZTYFL-LOIXOFCESA-N -1 0 373.431 -0.230 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)C1CCC2(CC1)NC(=O)NC2=O ZINC001318598949 848387957 /nfs/dbraw/zinc/38/79/57/848387957.db2.gz INVJMCCWLZTYFL-VTWZXRTESA-N -1 0 373.431 -0.230 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1cccc2cccnc21)S(C)(=O)=O ZINC001318607488 848388929 /nfs/dbraw/zinc/38/89/29/848388929.db2.gz PAYOTUMIXZHKPT-UHFFFAOYSA-N -1 0 357.413 -0.069 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC001318615599 848388836 /nfs/dbraw/zinc/38/88/36/848388836.db2.gz HEFJPQDOVLDCBU-UHFFFAOYSA-N -1 0 370.387 -0.727 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)o1 ZINC001318692145 848395814 /nfs/dbraw/zinc/39/58/14/848395814.db2.gz WSCVQDFAQMQNDN-SECBINFHSA-N -1 0 356.364 -0.743 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)o1 ZINC001318692160 848395993 /nfs/dbraw/zinc/39/59/93/848395993.db2.gz WSCVQDFAQMQNDN-VIFPVBQESA-N -1 0 356.364 -0.743 20 0 FBADRM O=C(NCc1nnn[n-]1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC001318703578 848395728 /nfs/dbraw/zinc/39/57/28/848395728.db2.gz ZONFEQDTUZMGJY-UHFFFAOYSA-N -1 0 351.392 -0.688 20 0 FBADRM CNC(=O)Cn1cnc([N-]C(=O)c2ccc(S(=O)(=O)N(C)C)o2)n1 ZINC001318705744 848395581 /nfs/dbraw/zinc/39/55/81/848395581.db2.gz QUSKUYPJHGYMBV-UHFFFAOYSA-N -1 0 356.364 -0.880 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC001318726498 848398438 /nfs/dbraw/zinc/39/84/38/848398438.db2.gz BVFQNUCSKSMNRJ-UHFFFAOYSA-N -1 0 360.436 -0.056 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)CCc1nc(-c2ncccn2)no1 ZINC001318726558 848398602 /nfs/dbraw/zinc/39/86/02/848398602.db2.gz CBCKOBKNXXLICQ-UHFFFAOYSA-N -1 0 355.376 -0.058 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)c(OC)c1 ZINC001318726585 848398683 /nfs/dbraw/zinc/39/86/83/848398683.db2.gz CNIZEDKUXJVZDE-UHFFFAOYSA-N -1 0 359.404 -0.124 20 0 FBADRM CN(C)C(=O)c1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1Cl ZINC001318738074 848399129 /nfs/dbraw/zinc/39/91/29/848399129.db2.gz BCLSVAPCWJDOTG-UHFFFAOYSA-N -1 0 351.754 -0.190 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2F)n1 ZINC001318751908 848400215 /nfs/dbraw/zinc/40/02/15/848400215.db2.gz LFBMTMQQPDFHMG-UHFFFAOYSA-N -1 0 370.366 -0.078 20 0 FBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ncn(CC(=O)N(C)C)n1 ZINC001318754148 848400383 /nfs/dbraw/zinc/40/03/83/848400383.db2.gz ZRMDEEINIXMSPV-UHFFFAOYSA-N -1 0 361.815 -0.138 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n1 ZINC001318755574 848400370 /nfs/dbraw/zinc/40/03/70/848400370.db2.gz RRXDIHWTDMPKBJ-UHFFFAOYSA-N -1 0 364.387 -0.290 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccn(CC(=O)N(C)C)n2)cn1 ZINC001318771147 848400751 /nfs/dbraw/zinc/40/07/51/848400751.db2.gz SWEXUJFWKLRKHJ-UHFFFAOYSA-N -1 0 370.391 -0.858 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)N(C)C)c2)cn1 ZINC001318771835 848400896 /nfs/dbraw/zinc/40/08/96/848400896.db2.gz XSAHVZRJYZUCLX-UHFFFAOYSA-N -1 0 370.391 -0.858 20 0 FBADRM COc1cc(C(=O)NC2=NCC(=O)N2)cc([N-]S(C)(=O)=O)c1OC ZINC001318775840 848401687 /nfs/dbraw/zinc/40/16/87/848401687.db2.gz DJHBJEDUAAQGHS-UHFFFAOYSA-N -1 0 356.360 -0.709 20 0 FBADRM CCS(=O)(=O)NCCN=c1ncnc2n(C)[n-]c(Br)c1-2 ZINC001318778843 848401659 /nfs/dbraw/zinc/40/16/59/848401659.db2.gz QXSPGXQELTTWCN-UHFFFAOYSA-N -1 0 363.241 -0.150 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC001318804133 848404375 /nfs/dbraw/zinc/40/43/75/848404375.db2.gz MMLDWMKOZDPVDA-MRVPVSSYSA-N -1 0 357.392 -0.518 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC001318804150 848404342 /nfs/dbraw/zinc/40/43/42/848404342.db2.gz MMLDWMKOZDPVDA-QMMMGPOBSA-N -1 0 357.392 -0.518 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1nc(-c2ncccn2)no1 ZINC001318804235 848404238 /nfs/dbraw/zinc/40/42/38/848404238.db2.gz NAVCYSKHAXVSFI-SECBINFHSA-N -1 0 355.376 -0.060 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CCc1nc(-c2ncccn2)no1 ZINC001318804238 848404410 /nfs/dbraw/zinc/40/44/10/848404410.db2.gz NAVCYSKHAXVSFI-VIFPVBQESA-N -1 0 355.376 -0.060 20 0 FBADRM O=C([N-]S(=O)(=O)CC1CC1)C1CCN(c2ccc3nnnn3n2)CC1 ZINC001318805708 848404480 /nfs/dbraw/zinc/40/44/80/848404480.db2.gz ZVXWMVHSFOQSGJ-UHFFFAOYSA-N -1 0 365.419 -0.408 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)c[nH]1 ZINC001318811044 848404489 /nfs/dbraw/zinc/40/44/89/848404489.db2.gz AAZONPWXZZITMQ-UHFFFAOYSA-N -1 0 356.364 -0.718 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)OC)n1 ZINC001318811784 848404094 /nfs/dbraw/zinc/40/40/94/848404094.db2.gz PYNFNHHEGFXLBQ-UHFFFAOYSA-N -1 0 371.350 -0.249 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc3c2COC3=O)n1 ZINC001318812362 848405168 /nfs/dbraw/zinc/40/51/68/848405168.db2.gz UUALJXWCNMGNGZ-UHFFFAOYSA-N -1 0 351.344 -0.505 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)n1 ZINC001318812720 848405563 /nfs/dbraw/zinc/40/55/63/848405563.db2.gz ZOHSKKCDGNKNPD-UHFFFAOYSA-N -1 0 366.403 -0.473 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)CC(F)(F)F)CC1 ZINC001318856567 848407385 /nfs/dbraw/zinc/40/73/85/848407385.db2.gz VPMWFHDNYDPRIT-UHFFFAOYSA-N -1 0 352.356 -0.334 20 0 FBADRM CC1(C)NC(=O)N(CCCC(=O)[N-]S(=O)(=O)Cc2ccon2)C1=O ZINC001318880127 848408217 /nfs/dbraw/zinc/40/82/17/848408217.db2.gz AEKZNIXYIRBBRR-UHFFFAOYSA-N -1 0 358.376 -0.269 20 0 FBADRM Cn1cc(CC(=O)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cn1 ZINC001318886646 848409006 /nfs/dbraw/zinc/40/90/06/848409006.db2.gz MRZYQTDAORGNGO-UHFFFAOYSA-N -1 0 357.413 -0.129 20 0 FBADRM O=C(CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC001318932309 848411945 /nfs/dbraw/zinc/41/19/45/848411945.db2.gz AVKAKFDQRFTWKD-LLVKDONJSA-N -1 0 353.360 -0.727 20 0 FBADRM O=C(CO[C@H]1CCOC1)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC001318932310 848411739 /nfs/dbraw/zinc/41/17/39/848411739.db2.gz AVKAKFDQRFTWKD-NSHDSACASA-N -1 0 353.360 -0.727 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CO[C@@H]2CCOC2)CC1 ZINC001318932934 848411675 /nfs/dbraw/zinc/41/16/75/848411675.db2.gz HIXCBJXOWDKBCY-LLVKDONJSA-N -1 0 350.393 -0.962 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CO[C@H]2CCOC2)CC1 ZINC001318933143 848411650 /nfs/dbraw/zinc/41/16/50/848411650.db2.gz HIXCBJXOWDKBCY-NSHDSACASA-N -1 0 350.393 -0.962 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC001318936315 848411995 /nfs/dbraw/zinc/41/19/95/848411995.db2.gz YNDJFUNQSJDQDF-UHFFFAOYSA-N -1 0 353.360 -0.711 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)CO[C@H]1CCOC1 ZINC001318936875 848411934 /nfs/dbraw/zinc/41/19/34/848411934.db2.gz YKLKJNRYGAYBRE-JTQLQIEISA-N -1 0 357.388 -0.606 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)CO[C@@H]1CCOC1 ZINC001318936876 848411743 /nfs/dbraw/zinc/41/17/43/848411743.db2.gz YKLKJNRYGAYBRE-SNVBAGLBSA-N -1 0 357.388 -0.606 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)C2CCN(c3cnccn3)CC2)cn1 ZINC001318941766 848412891 /nfs/dbraw/zinc/41/28/91/848412891.db2.gz JISIJOVZGIKAFG-UHFFFAOYSA-N -1 0 350.404 -0.068 20 0 FBADRM O=c1[n-]c(CCCNc2ccc(S(=O)(=O)N3CCOCC3)cn2)n[nH]1 ZINC001318956568 848413677 /nfs/dbraw/zinc/41/36/77/848413677.db2.gz LVFVBKCRANTPLZ-UHFFFAOYSA-N -1 0 368.419 -0.029 20 0 FBADRM CNS(=O)(=O)c1csc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1 ZINC001318994117 848416716 /nfs/dbraw/zinc/41/67/16/848416716.db2.gz XNSDWPZRHDBCDG-MRVPVSSYSA-N -1 0 358.405 -0.617 20 0 FBADRM CNS(=O)(=O)c1csc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1 ZINC001318994118 848416786 /nfs/dbraw/zinc/41/67/86/848416786.db2.gz XNSDWPZRHDBCDG-QMMMGPOBSA-N -1 0 358.405 -0.617 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCCC2)[N-]S(=O)(=O)Cc1ccon1 ZINC001319014240 848418811 /nfs/dbraw/zinc/41/88/11/848418811.db2.gz AEVPDAUACQXRMU-UHFFFAOYSA-N -1 0 355.376 -0.595 20 0 FBADRM CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)C1 ZINC001319016762 848419488 /nfs/dbraw/zinc/41/94/88/848419488.db2.gz IYHGKZIGOSMHGT-AWEZNQCLSA-N -1 0 356.404 -0.813 20 0 FBADRM CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)C1 ZINC001319016771 848419752 /nfs/dbraw/zinc/41/97/52/848419752.db2.gz IYHGKZIGOSMHGT-CQSZACIVSA-N -1 0 356.404 -0.813 20 0 FBADRM Cc1oc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1S(=O)(=O)N(C)C ZINC001319020343 848419480 /nfs/dbraw/zinc/41/94/80/848419480.db2.gz IVBHMGWPKJNWKL-JTQLQIEISA-N -1 0 370.391 -0.435 20 0 FBADRM Cc1oc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1S(=O)(=O)N(C)C ZINC001319020344 848419395 /nfs/dbraw/zinc/41/93/95/848419395.db2.gz IVBHMGWPKJNWKL-SNVBAGLBSA-N -1 0 370.391 -0.435 20 0 FBADRM C[C@@H](Sc1nncn1C)C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC001319055922 848424758 /nfs/dbraw/zinc/42/47/58/848424758.db2.gz BJGWMEPACDFUKA-MRVPVSSYSA-N -1 0 369.428 -0.100 20 0 FBADRM C[C@H](Sc1nncn1C)C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC001319055923 848424442 /nfs/dbraw/zinc/42/44/42/848424442.db2.gz BJGWMEPACDFUKA-QMMMGPOBSA-N -1 0 369.428 -0.100 20 0 FBADRM COCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)cc2)CC1=O ZINC001319055944 848424726 /nfs/dbraw/zinc/42/47/26/848424726.db2.gz CFVVFBKXNJIIQU-LLVKDONJSA-N -1 0 369.399 -0.915 20 0 FBADRM COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)cc2)CC1=O ZINC001319055945 848424530 /nfs/dbraw/zinc/42/45/30/848424530.db2.gz CFVVFBKXNJIIQU-NSHDSACASA-N -1 0 369.399 -0.915 20 0 FBADRM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@H]1COCCO1 ZINC001319056946 848424806 /nfs/dbraw/zinc/42/48/06/848424806.db2.gz KOXUYXYXGGEPBO-GFCCVEGCSA-N -1 0 358.372 -0.126 20 0 FBADRM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@@H]1COCCO1 ZINC001319056949 848424702 /nfs/dbraw/zinc/42/47/02/848424702.db2.gz KOXUYXYXGGEPBO-LBPRGKRZSA-N -1 0 358.372 -0.126 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2csnc2C(=O)OC)cn1 ZINC001319060887 848424789 /nfs/dbraw/zinc/42/47/89/848424789.db2.gz NOWFODLDHAADKN-UHFFFAOYSA-N -1 0 359.389 -0.327 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)[N-]c1ncn(CC(=O)N(C)C)n1 ZINC001319063179 848424424 /nfs/dbraw/zinc/42/44/24/848424424.db2.gz PJIURYKSBNQCPI-UHFFFAOYSA-N -1 0 374.404 -0.590 20 0 FBADRM O=C(CN1C(=O)c2ccccc2S1(=O)=O)[N-]S(=O)(=O)C(F)F ZINC001319068924 848424632 /nfs/dbraw/zinc/42/46/32/848424632.db2.gz RAMUMNMPFZZKRP-UHFFFAOYSA-N -1 0 354.312 -0.500 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(F)c2C(=O)OC)n1 ZINC001319076532 848425986 /nfs/dbraw/zinc/42/59/86/848425986.db2.gz HLRVSZFTEPKANL-UHFFFAOYSA-N -1 0 371.350 -0.249 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCCC2)[N-]S(=O)(=O)c1cnccn1 ZINC001319091975 848426841 /nfs/dbraw/zinc/42/68/41/848426841.db2.gz MHBPROQJBDCWNK-UHFFFAOYSA-N -1 0 352.376 -0.934 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N2C[C@H](O)C[C@H](O)C2)c1 ZINC001319115771 848429846 /nfs/dbraw/zinc/42/98/46/848429846.db2.gz YKLVKQOCMYTKTG-TXEJJXNPSA-N -1 0 371.415 -0.416 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)N(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001319134785 848431978 /nfs/dbraw/zinc/43/19/78/848431978.db2.gz PMZRIOZZEHWLOC-JTQLQIEISA-N -1 0 363.461 -0.037 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)N(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001319134818 848431800 /nfs/dbraw/zinc/43/18/00/848431800.db2.gz PMZRIOZZEHWLOC-SNVBAGLBSA-N -1 0 363.461 -0.037 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccnc(C(=O)N(C)C)c2)cn1 ZINC001319138981 848431630 /nfs/dbraw/zinc/43/16/30/848431630.db2.gz INVOURVCJRBBMG-UHFFFAOYSA-N -1 0 367.387 -0.624 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)[C@H]1CCNC(=O)C1 ZINC001319139668 848431701 /nfs/dbraw/zinc/43/17/01/848431701.db2.gz ZRVOZVZYCFQZSH-JTQLQIEISA-N -1 0 351.384 -0.098 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)[C@@H]1CCNC(=O)C1 ZINC001319139671 848432025 /nfs/dbraw/zinc/43/20/25/848432025.db2.gz ZRVOZVZYCFQZSH-SNVBAGLBSA-N -1 0 351.384 -0.098 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)n1 ZINC001319140429 848432013 /nfs/dbraw/zinc/43/20/13/848432013.db2.gz XSOKOTOWEJCNTK-UHFFFAOYSA-N -1 0 364.391 -0.585 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)Cn2cc(C3CC3)nn2)CC1 ZINC001319143748 848432979 /nfs/dbraw/zinc/43/29/79/848432979.db2.gz LMEURBQCZYNCDR-UHFFFAOYSA-N -1 0 371.419 -0.599 20 0 FBADRM CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2C)n1 ZINC001319145066 848432845 /nfs/dbraw/zinc/43/28/45/848432845.db2.gz BFZKKQDOPLFVTJ-UHFFFAOYSA-N -1 0 351.388 -0.090 20 0 FBADRM CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)n1 ZINC001319158701 848433580 /nfs/dbraw/zinc/43/35/80/848433580.db2.gz XQBMDHAVIAQHNQ-UHFFFAOYSA-N -1 0 357.779 -0.053 20 0 FBADRM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001319165046 848433860 /nfs/dbraw/zinc/43/38/60/848433860.db2.gz XBIHJJGCIRLRAR-JTQLQIEISA-N -1 0 370.391 -0.435 20 0 FBADRM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001319165047 848433771 /nfs/dbraw/zinc/43/37/71/848433771.db2.gz XBIHJJGCIRLRAR-SNVBAGLBSA-N -1 0 370.391 -0.435 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccccn1)C1CCC2(CC1)NC(=O)NC2=O ZINC001319199941 848437811 /nfs/dbraw/zinc/43/78/11/848437811.db2.gz JHAHENCSNZPAKT-UHFFFAOYSA-N -1 0 352.372 -0.345 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2ncccc2C(=O)N(C)C)nnn1C ZINC001319201390 848438128 /nfs/dbraw/zinc/43/81/28/848438128.db2.gz YMPUUYKNHPDMHM-UHFFFAOYSA-N -1 0 352.376 -0.661 20 0 FBADRM O=C([N-]OCC(F)(F)F)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001319214007 848438999 /nfs/dbraw/zinc/43/89/99/848438999.db2.gz CKVHUSQYPJWWES-SSDOTTSWSA-N -1 0 357.310 -0.238 20 0 FBADRM O=C([N-]OCC(F)(F)F)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001319214008 848438988 /nfs/dbraw/zinc/43/89/88/848438988.db2.gz CKVHUSQYPJWWES-ZETCQYMHSA-N -1 0 357.310 -0.238 20 0 FBADRM NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)[N-]OCC(F)(F)F ZINC001319221743 848439079 /nfs/dbraw/zinc/43/90/79/848439079.db2.gz TTWGUZCLROWIEN-UHFFFAOYSA-N -1 0 369.277 -0.148 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)C1CCN(c2cnccn2)CC1 ZINC001319236921 848440130 /nfs/dbraw/zinc/44/01/30/848440130.db2.gz NBUTVACTRRJYOT-UHFFFAOYSA-N -1 0 372.447 -0.198 20 0 FBADRM CS(=O)(=O)[C@H]1CSCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001319245170 848440194 /nfs/dbraw/zinc/44/01/94/848440194.db2.gz NQFWBDMKEXSAIW-JTQLQIEISA-N -1 0 357.417 -0.983 20 0 FBADRM CS(=O)(=O)[C@@H]1CSCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001319245171 848440045 /nfs/dbraw/zinc/44/00/45/848440045.db2.gz NQFWBDMKEXSAIW-SNVBAGLBSA-N -1 0 357.417 -0.983 20 0 FBADRM CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001319245243 848441093 /nfs/dbraw/zinc/44/10/93/848441093.db2.gz PRPVGYOOWNJYHP-SECBINFHSA-N -1 0 370.412 -0.004 20 0 FBADRM CS(=O)(=O)[C@H]1CSCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001319245244 848441135 /nfs/dbraw/zinc/44/11/35/848441135.db2.gz PRPVGYOOWNJYHP-VIFPVBQESA-N -1 0 370.412 -0.004 20 0 FBADRM COCc1n[n-]c(S(=O)(=O)CC(=O)N[C@@H](C)C(=O)N2CCCCC2)n1 ZINC001319252915 848441803 /nfs/dbraw/zinc/44/18/03/848441803.db2.gz ZECUOVQIOCWNSW-JTQLQIEISA-N -1 0 373.435 -0.758 20 0 FBADRM COCc1n[n-]c(S(=O)(=O)CC(=O)N[C@H](C)C(=O)N2CCCCC2)n1 ZINC001319252925 848441783 /nfs/dbraw/zinc/44/17/83/848441783.db2.gz ZECUOVQIOCWNSW-SNVBAGLBSA-N -1 0 373.435 -0.758 20 0 FBADRM COCCN(CC(=O)[O-])C(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2 ZINC001319264558 848442883 /nfs/dbraw/zinc/44/28/83/848442883.db2.gz DKCRWEPWLOXDJV-UHFFFAOYSA-N -1 0 356.400 -0.004 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)c2cnccn2)CC1 ZINC001319267243 848442794 /nfs/dbraw/zinc/44/27/94/848442794.db2.gz BVEDMUCWTHVUMU-UHFFFAOYSA-N -1 0 362.433 -0.657 20 0 FBADRM CON(C)C(=O)[C@H](CCSC)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001319276493 848443832 /nfs/dbraw/zinc/44/38/32/848443832.db2.gz ZIDKABSLEPTHEV-JTQLQIEISA-N -1 0 368.419 -0.671 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)s1 ZINC001319325755 848446071 /nfs/dbraw/zinc/44/60/71/848446071.db2.gz PUSTZDJNTLPGII-JTQLQIEISA-N -1 0 373.456 -0.242 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)s1 ZINC001319325757 848446452 /nfs/dbraw/zinc/44/64/52/848446452.db2.gz PUSTZDJNTLPGII-SNVBAGLBSA-N -1 0 373.456 -0.242 20 0 FBADRM O=C(c1n[nH]c(=O)[n-]1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC001319337069 848447666 /nfs/dbraw/zinc/44/76/66/848447666.db2.gz DVMVAYLXWXDDHM-UHFFFAOYSA-N -1 0 361.387 -0.462 20 0 FBADRM O=C([N-]OCC(F)(F)F)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001319348986 848449063 /nfs/dbraw/zinc/44/90/63/848449063.db2.gz YPVVSAPMSLSMEC-UHFFFAOYSA-N -1 0 365.312 -0.236 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc2c1CCC2 ZINC001319355331 848449042 /nfs/dbraw/zinc/44/90/42/848449042.db2.gz FHAPVDDOFZFOEZ-GFCCVEGCSA-N -1 0 354.384 -0.252 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc2c1CCC2 ZINC001319355332 848449291 /nfs/dbraw/zinc/44/92/91/848449291.db2.gz FHAPVDDOFZFOEZ-LBPRGKRZSA-N -1 0 354.384 -0.252 20 0 FBADRM O=C(NCc1n[nH]c(=O)[n-]1)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC001319360784 848450113 /nfs/dbraw/zinc/45/01/13/848450113.db2.gz MIVVRBSYQSEXAN-UHFFFAOYSA-N -1 0 365.415 -0.329 20 0 FBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)OC)CC2)o1 ZINC001319374165 848451149 /nfs/dbraw/zinc/45/11/49/848451149.db2.gz PCASJMQTYPXEMG-UHFFFAOYSA-N -1 0 374.371 -0.074 20 0 FBADRM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c1 ZINC001319383395 848452271 /nfs/dbraw/zinc/45/22/71/848452271.db2.gz LKWGABOJRSEGTK-UHFFFAOYSA-N -1 0 351.388 -0.129 20 0 FBADRM Cc1ccnc(-n2cc(S(=O)(=O)[N-]C(=O)CS(C)(=O)=O)cn2)c1 ZINC001319384237 848452553 /nfs/dbraw/zinc/45/25/53/848452553.db2.gz ZNPGLJRBEVNKCU-UHFFFAOYSA-N -1 0 358.401 -0.575 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2cnn(C3CCOCC3)c2)cn1 ZINC001319392059 848453591 /nfs/dbraw/zinc/45/35/91/848453591.db2.gz WGJNMKHNRXBVSK-UHFFFAOYSA-N -1 0 368.419 -0.022 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)n1 ZINC001319411823 848456499 /nfs/dbraw/zinc/45/64/99/848456499.db2.gz ZMWJUAHEOHLCFP-SECBINFHSA-N -1 0 356.364 -0.590 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)n1 ZINC001319411827 848456055 /nfs/dbraw/zinc/45/60/55/848456055.db2.gz ZMWJUAHEOHLCFP-VIFPVBQESA-N -1 0 356.364 -0.590 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccn2)cn1 ZINC001319413740 848456465 /nfs/dbraw/zinc/45/64/65/848456465.db2.gz TVSFLQSCQUMQGJ-UHFFFAOYSA-N -1 0 367.387 -0.046 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nncn1C ZINC001319424295 848457204 /nfs/dbraw/zinc/45/72/04/848457204.db2.gz GTRQOJIDNLPGSZ-SECBINFHSA-N -1 0 352.438 -0.595 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H](C)Sc1nncn1C ZINC001319424296 848457373 /nfs/dbraw/zinc/45/73/73/848457373.db2.gz GTRQOJIDNLPGSZ-VIFPVBQESA-N -1 0 352.438 -0.595 20 0 FBADRM NC(=O)COC1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CC1 ZINC001319426691 848457433 /nfs/dbraw/zinc/45/74/33/848457433.db2.gz BEODARNNRZTAQM-UHFFFAOYSA-N -1 0 352.416 -0.025 20 0 FBADRM O=C(NCc1nc(=O)o[n-]1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC001319442091 848458230 /nfs/dbraw/zinc/45/82/30/848458230.db2.gz DJAKWIRJLRPZCP-GHMZBOCLSA-N -1 0 366.374 -0.039 20 0 FBADRM O=C(NCc1nc(=O)o[n-]1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC001319442094 848458225 /nfs/dbraw/zinc/45/82/25/848458225.db2.gz DJAKWIRJLRPZCP-MNOVXSKESA-N -1 0 366.374 -0.039 20 0 FBADRM O=C(NCc1nc(=O)o[n-]1)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC001319442095 848458293 /nfs/dbraw/zinc/45/82/93/848458293.db2.gz DJAKWIRJLRPZCP-QWRGUYRKSA-N -1 0 366.374 -0.039 20 0 FBADRM O=C(NCc1nc(=O)o[n-]1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC001319442098 848458238 /nfs/dbraw/zinc/45/82/38/848458238.db2.gz DJAKWIRJLRPZCP-WDEREUQCSA-N -1 0 366.374 -0.039 20 0 FBADRM NC(=O)CCn1ccc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)n1 ZINC001319519794 848466175 /nfs/dbraw/zinc/46/61/75/848466175.db2.gz ZMCPUTWTFJHTAP-JTQLQIEISA-N -1 0 354.392 -0.283 20 0 FBADRM NC(=O)CCn1ccc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)n1 ZINC001319519795 848466307 /nfs/dbraw/zinc/46/63/07/848466307.db2.gz ZMCPUTWTFJHTAP-SNVBAGLBSA-N -1 0 354.392 -0.283 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)CCc2cn(C)nc2C)s1 ZINC001319529444 848467474 /nfs/dbraw/zinc/46/74/74/848467474.db2.gz QDOMFSJOJWMZKP-UHFFFAOYSA-N -1 0 372.432 -0.024 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)CCN2CCCC2=O)s1 ZINC001319533268 848467339 /nfs/dbraw/zinc/46/73/39/848467339.db2.gz XSZAPSPJDHXKQS-UHFFFAOYSA-N -1 0 361.405 -0.686 20 0 FBADRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)C1 ZINC001319546027 848469531 /nfs/dbraw/zinc/46/95/31/848469531.db2.gz ZESIZQFXMZTAQJ-MRVPVSSYSA-N -1 0 359.429 -0.090 20 0 FBADRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)C1 ZINC001319546028 848469267 /nfs/dbraw/zinc/46/92/67/848469267.db2.gz ZESIZQFXMZTAQJ-QMMMGPOBSA-N -1 0 359.429 -0.090 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CO[C@@H]2CCOC2)nc1 ZINC001319552871 848469406 /nfs/dbraw/zinc/46/94/06/848469406.db2.gz OTEMKBBSPKMDFT-LLVKDONJSA-N -1 0 358.372 -0.131 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CO[C@H]2CCOC2)nc1 ZINC001319552872 848469337 /nfs/dbraw/zinc/46/93/37/848469337.db2.gz OTEMKBBSPKMDFT-NSHDSACASA-N -1 0 358.372 -0.131 20 0 FBADRM CCOC(=O)Cn1cccc(NC(=O)C(=O)[N-]OCC(F)(F)F)c1=O ZINC001319573276 848471179 /nfs/dbraw/zinc/47/11/79/848471179.db2.gz QXWQCKGLTKDJJU-UHFFFAOYSA-N -1 0 365.264 -0.040 20 0 FBADRM O=C(Cc1csc(-c2nc[nH]n2)n1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC001319576842 848471076 /nfs/dbraw/zinc/47/10/76/848471076.db2.gz MIEYRNDACZAWKL-MRVPVSSYSA-N -1 0 357.417 -0.047 20 0 FBADRM O=C(Cc1csc(-c2nc[nH]n2)n1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC001319576843 848471049 /nfs/dbraw/zinc/47/10/49/848471049.db2.gz MIEYRNDACZAWKL-QMMMGPOBSA-N -1 0 357.417 -0.047 20 0 FBADRM CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2nc(=O)o[n-]2)C(=O)C1 ZINC001319589223 848473130 /nfs/dbraw/zinc/47/31/30/848473130.db2.gz FVHVLTNHCFKLEO-UHFFFAOYSA-N -1 0 355.351 -0.942 20 0 FBADRM O=C(NCc1nc(=O)o[n-]1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001319591404 848473112 /nfs/dbraw/zinc/47/31/12/848473112.db2.gz MHECWWZGQOQOSF-UHFFFAOYSA-N -1 0 368.371 -0.686 20 0 FBADRM Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCc2nc(=O)o[n-]2)c1 ZINC001319614536 848475143 /nfs/dbraw/zinc/47/51/43/848475143.db2.gz DELQZMWKWATKBM-UHFFFAOYSA-N -1 0 354.388 -0.035 20 0 FBADRM O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCc1nc(=O)o[n-]1 ZINC001319614586 848475305 /nfs/dbraw/zinc/47/53/05/848475305.db2.gz FPEUNPIERRQSQY-UHFFFAOYSA-N -1 0 362.314 -0.374 20 0 FBADRM O=C(CNS(=O)(=O)c1ccc(Cl)s1)NCc1nc(=O)o[n-]1 ZINC001319615518 848474827 /nfs/dbraw/zinc/47/48/27/848474827.db2.gz SROFJZQNWBNTMH-UHFFFAOYSA-N -1 0 352.781 -0.328 20 0 FBADRM C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1nc(=O)o[n-]1)C2=O ZINC001319625217 848475857 /nfs/dbraw/zinc/47/58/57/848475857.db2.gz MKSZAARDLDAKCZ-IEVQFXQGSA-N -1 0 351.363 -0.274 20 0 FBADRM C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NCc1nc(=O)o[n-]1)C2=O ZINC001319625218 848476338 /nfs/dbraw/zinc/47/63/38/848476338.db2.gz MKSZAARDLDAKCZ-IUCAKERBSA-N -1 0 351.363 -0.274 20 0 FBADRM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NCc1nc(=O)o[n-]1)C2=O ZINC001319625219 848476024 /nfs/dbraw/zinc/47/60/24/848476024.db2.gz MKSZAARDLDAKCZ-RKDXNWHRSA-N -1 0 351.363 -0.274 20 0 FBADRM CS(=O)(=O)c1n[n-]c(NC(=O)c2csc(S(C)(=O)=O)c2)n1 ZINC001319657950 848478839 /nfs/dbraw/zinc/47/88/39/848478839.db2.gz POCQEXFKGXKQBG-UHFFFAOYSA-N -1 0 350.403 -0.075 20 0 FBADRM CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCc1nc(=O)o[n-]1 ZINC001319661680 848478654 /nfs/dbraw/zinc/47/86/54/848478654.db2.gz ABOREWDEVDPCMA-UHFFFAOYSA-N -1 0 365.371 -0.426 20 0 FBADRM O=C(CSCc1cc(=O)n2ccsc2n1)NCc1nc(=O)o[n-]1 ZINC001319661743 848478891 /nfs/dbraw/zinc/47/88/91/848478891.db2.gz DMCFALBSVNXHIV-UHFFFAOYSA-N -1 0 353.385 -0.018 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)CC1 ZINC001319662549 848479384 /nfs/dbraw/zinc/47/93/84/848479384.db2.gz NSPVYUPTDJLADM-GFCCVEGCSA-N -1 0 356.452 -0.033 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)CC1 ZINC001319662550 848478769 /nfs/dbraw/zinc/47/87/69/848478769.db2.gz NSPVYUPTDJLADM-LBPRGKRZSA-N -1 0 356.452 -0.033 20 0 FBADRM O=C(NCc1nc(=O)o[n-]1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC001319662861 848478946 /nfs/dbraw/zinc/47/89/46/848478946.db2.gz PIGKEOWMAXFITO-UHFFFAOYSA-N -1 0 367.387 -0.525 20 0 FBADRM CNC(=O)Cn1nc([N-]S(=O)(=O)c2cnn(CCOC)c2)cc1C ZINC001319670460 848479825 /nfs/dbraw/zinc/47/98/25/848479825.db2.gz BKKWDSPHZDGHNW-UHFFFAOYSA-N -1 0 356.408 -0.419 20 0 FBADRM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCNC(=O)C1 ZINC001319674761 848479787 /nfs/dbraw/zinc/47/97/87/848479787.db2.gz URERDSVMUKOPDZ-JTQLQIEISA-N -1 0 369.399 -0.015 20 0 FBADRM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCNC(=O)C1 ZINC001319674762 848479925 /nfs/dbraw/zinc/47/99/25/848479925.db2.gz URERDSVMUKOPDZ-SNVBAGLBSA-N -1 0 369.399 -0.015 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)[C@H]1CCNC(=O)C1 ZINC001319674776 848479840 /nfs/dbraw/zinc/47/98/40/848479840.db2.gz VBMCBWNCYMCAAI-JTQLQIEISA-N -1 0 351.384 -0.696 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)[C@@H]1CCNC(=O)C1 ZINC001319674777 848480108 /nfs/dbraw/zinc/48/01/08/848480108.db2.gz VBMCBWNCYMCAAI-SNVBAGLBSA-N -1 0 351.384 -0.696 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)CC1 ZINC001319676445 848480252 /nfs/dbraw/zinc/48/02/52/848480252.db2.gz XCRSYRMYRJDQTB-LLVKDONJSA-N -1 0 368.477 -0.469 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)CC1 ZINC001319676446 848479945 /nfs/dbraw/zinc/47/99/45/848479945.db2.gz XCRSYRMYRJDQTB-NSHDSACASA-N -1 0 368.477 -0.469 20 0 FBADRM O=C(NCc1nc(=O)o[n-]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001319715202 848483016 /nfs/dbraw/zinc/48/30/16/848483016.db2.gz IYSDQGRYZPPTQG-UHFFFAOYSA-N -1 0 368.371 -0.686 20 0 FBADRM O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NCc1nc(=O)o[n-]1 ZINC001319716687 848482720 /nfs/dbraw/zinc/48/27/20/848482720.db2.gz ZGOIIKNSOMQMFR-UHFFFAOYSA-N -1 0 358.351 -0.123 20 0 FBADRM O=C(NCc1nc(=O)o[n-]1)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC001319722796 848483818 /nfs/dbraw/zinc/48/38/18/848483818.db2.gz AEEXXPWEJZJLJX-UHFFFAOYSA-N -1 0 366.399 -0.477 20 0 FBADRM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001319728084 848484501 /nfs/dbraw/zinc/48/45/01/848484501.db2.gz FKLOHSQZJKIIMH-JTQLQIEISA-N -1 0 350.379 -0.949 20 0 FBADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001319728087 848484701 /nfs/dbraw/zinc/48/47/01/848484701.db2.gz FKLOHSQZJKIIMH-SNVBAGLBSA-N -1 0 350.379 -0.949 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)CO[C@@H]2CCOC2)s1 ZINC001319748134 848486651 /nfs/dbraw/zinc/48/66/51/848486651.db2.gz GJBFIVYTBXCFOM-SSDOTTSWSA-N -1 0 350.378 -0.893 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)CO[C@H]2CCOC2)s1 ZINC001319748135 848486206 /nfs/dbraw/zinc/48/62/06/848486206.db2.gz GJBFIVYTBXCFOM-ZETCQYMHSA-N -1 0 350.378 -0.893 20 0 FBADRM COc1cccc(C[C@H](C(=O)[N-]S(=O)(=O)N(C)C)n2nnnc2C)c1 ZINC001319762964 848486986 /nfs/dbraw/zinc/48/69/86/848486986.db2.gz OCAVLNDJWZKYIG-CYBMUJFWSA-N -1 0 368.419 -0.303 20 0 FBADRM COc1cccc(C[C@@H](C(=O)[N-]S(=O)(=O)N(C)C)n2nnnc2C)c1 ZINC001319762965 848487307 /nfs/dbraw/zinc/48/73/07/848487307.db2.gz OCAVLNDJWZKYIG-ZDUSSCGKSA-N -1 0 368.419 -0.303 20 0 FBADRM CNC(=O)Cn1nc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cc1C ZINC001319784917 848488348 /nfs/dbraw/zinc/48/83/48/848488348.db2.gz VNNGTUYHLBSPCK-LLVKDONJSA-N -1 0 368.419 -0.104 20 0 FBADRM CNC(=O)Cn1nc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)cc1C ZINC001319784918 848489330 /nfs/dbraw/zinc/48/93/30/848489330.db2.gz VNNGTUYHLBSPCK-NSHDSACASA-N -1 0 368.419 -0.104 20 0 FBADRM COCCOCC(=O)NC1CCC(C(=O)NCc2nc(=O)o[n-]2)CC1 ZINC001319832697 848491776 /nfs/dbraw/zinc/49/17/76/848491776.db2.gz QNRJVJFOIHNSFZ-UHFFFAOYSA-N -1 0 356.379 -0.683 20 0 FBADRM COc1cc(C(=O)NC2(C(N)=O)CC2)cc([N-]S(C)(=O)=O)c1OC ZINC001319839825 848491884 /nfs/dbraw/zinc/49/18/84/848491884.db2.gz ISMNXMOJCGAYLQ-UHFFFAOYSA-N -1 0 357.388 -0.177 20 0 FBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)CC1(CS(C)(=O)=O)CC1 ZINC001319845305 848492595 /nfs/dbraw/zinc/49/25/95/848492595.db2.gz CFQOUITYKREBLL-UHFFFAOYSA-N -1 0 374.459 -0.017 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N(CC(=O)[O-])C2CCOCC2)c1 ZINC001319846698 848492437 /nfs/dbraw/zinc/49/24/37/848492437.db2.gz VWKADHVUONHUPY-UHFFFAOYSA-N -1 0 359.404 -0.029 20 0 FBADRM O=C(NCc1nc(=O)o[n-]1)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC001319857909 848492567 /nfs/dbraw/zinc/49/25/67/848492567.db2.gz FLENNYQDHMCDRA-UHFFFAOYSA-N -1 0 352.372 -0.019 20 0 FBADRM Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc(=O)o[n-]2)cc1C ZINC001319858835 848492335 /nfs/dbraw/zinc/49/23/35/848492335.db2.gz NULOZWDUMPUCBE-UHFFFAOYSA-N -1 0 354.388 -0.083 20 0 FBADRM O=C([O-])c1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)o1 ZINC001319863879 848492711 /nfs/dbraw/zinc/49/27/11/848492711.db2.gz RMEINHKTFHGOJO-UHFFFAOYSA-N -1 0 351.359 -0.406 20 0 FBADRM CNC(=O)Cn1nc([N-]S(=O)(=O)c2cnn(CC(=O)OC)c2)cc1C ZINC001319912462 848496349 /nfs/dbraw/zinc/49/63/49/848496349.db2.gz XBQVINYUEBMTBK-UHFFFAOYSA-N -1 0 370.391 -0.892 20 0 FBADRM Cn1ncc2c1nc(CCC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1)[nH]c2=O ZINC001319941597 848499147 /nfs/dbraw/zinc/49/91/47/848499147.db2.gz KAOZRBNIFBPAJV-SECBINFHSA-N -1 0 369.403 -0.374 20 0 FBADRM Cn1ncc2c1nc(CCC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1)[nH]c2=O ZINC001319941598 848499275 /nfs/dbraw/zinc/49/92/75/848499275.db2.gz KAOZRBNIFBPAJV-VIFPVBQESA-N -1 0 369.403 -0.374 20 0 FBADRM CN(C)CCS(=O)(=O)c1ccccc1C(=O)NCc1nc(=O)o[n-]1 ZINC001319962903 848501056 /nfs/dbraw/zinc/50/10/56/848501056.db2.gz ONKCBUQRDNLVDC-UHFFFAOYSA-N -1 0 354.388 -0.372 20 0 FBADRM Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NC1(C(=O)[O-])CC1 ZINC001319965781 848501491 /nfs/dbraw/zinc/50/14/91/848501491.db2.gz YYVSIIICLCNXIN-UHFFFAOYSA-N -1 0 350.375 -0.007 20 0 FBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC001319966349 848501093 /nfs/dbraw/zinc/50/10/93/848501093.db2.gz VVIVBADURZFNAB-JTQLQIEISA-N -1 0 354.388 -0.501 20 0 FBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC001319966351 848501202 /nfs/dbraw/zinc/50/12/02/848501202.db2.gz VVIVBADURZFNAB-SNVBAGLBSA-N -1 0 354.388 -0.501 20 0 FBADRM CCc1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)OC)CC2)nn1C ZINC001319980651 848502515 /nfs/dbraw/zinc/50/25/15/848502515.db2.gz KZMOLMKGQQCVEF-UHFFFAOYSA-N -1 0 358.420 -0.158 20 0 FBADRM COCCn1cc(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)cn1 ZINC001319998536 848504479 /nfs/dbraw/zinc/50/44/79/848504479.db2.gz WUNSITQYJKJNQH-UHFFFAOYSA-N -1 0 357.396 -0.990 20 0 FBADRM CCCCS(=O)(=O)[N-]C(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C ZINC001320011728 848506264 /nfs/dbraw/zinc/50/62/64/848506264.db2.gz JFKNEQXIAPJYQR-UHFFFAOYSA-N -1 0 368.415 -0.200 20 0 FBADRM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)nc1 ZINC001320026256 848507361 /nfs/dbraw/zinc/50/73/61/848507361.db2.gz PDQOLRRKHKORLH-UHFFFAOYSA-N -1 0 353.360 -0.762 20 0 FBADRM Cc1nn(C)c(=O)c(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)c1C ZINC001320120025 848514415 /nfs/dbraw/zinc/51/44/15/848514415.db2.gz JGEIXDRYAZWHQH-UHFFFAOYSA-N -1 0 358.405 -0.128 20 0 FBADRM O=C(NCc1nc(=O)o[n-]1)c1sccc1S(=O)(=O)N1CCOCC1 ZINC001320120087 848514355 /nfs/dbraw/zinc/51/43/55/848514355.db2.gz MHNGTKKGOXRHCZ-UHFFFAOYSA-N -1 0 374.400 -0.625 20 0 FBADRM COC(=O)[C@@H](C)CS(=O)(=O)[N-][C@@H](CO)C(=O)OCc1ccccc1 ZINC001320138962 848515539 /nfs/dbraw/zinc/51/55/39/848515539.db2.gz CWDRVICSMIMGAQ-AAEUAGOBSA-N -1 0 359.400 -0.181 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)[N-][C@H](CO)C(=O)OCc1ccccc1 ZINC001320138963 848515787 /nfs/dbraw/zinc/51/57/87/848515787.db2.gz CWDRVICSMIMGAQ-DGCLKSJQSA-N -1 0 359.400 -0.181 20 0 FBADRM COC(=O)[C@@H](C)CS(=O)(=O)[N-][C@H](CO)C(=O)OCc1ccccc1 ZINC001320138964 848515745 /nfs/dbraw/zinc/51/57/45/848515745.db2.gz CWDRVICSMIMGAQ-WCQYABFASA-N -1 0 359.400 -0.181 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)[N-][C@@H](CO)C(=O)OCc1ccccc1 ZINC001320138965 848515292 /nfs/dbraw/zinc/51/52/92/848515292.db2.gz CWDRVICSMIMGAQ-YPMHNXCESA-N -1 0 359.400 -0.181 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N(C)C[C@H](O)CO)c1 ZINC001320157092 848517142 /nfs/dbraw/zinc/51/71/42/848517142.db2.gz PDJIBCYTGHKFJV-NSHDSACASA-N -1 0 359.404 -0.558 20 0 FBADRM CNS(=O)(=O)c1ccc(CC(=O)NCCCc2n[nH]c(=O)[n-]2)cc1 ZINC001320167874 848518243 /nfs/dbraw/zinc/51/82/43/848518243.db2.gz WUEGRCVAJZYEGM-UHFFFAOYSA-N -1 0 353.404 -0.290 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)N2C)s1 ZINC001320172453 848518994 /nfs/dbraw/zinc/51/89/94/848518994.db2.gz CUBWUOWNQRWIDJ-NSHDSACASA-N -1 0 373.456 -0.148 20 0 FBADRM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)N2C)c1 ZINC001320175606 848519146 /nfs/dbraw/zinc/51/91/46/848519146.db2.gz RJZRASQSJLTLHK-LBPRGKRZSA-N -1 0 353.400 -0.186 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cn(CC2(C)COC2)nn1 ZINC001320178192 848520045 /nfs/dbraw/zinc/52/00/45/848520045.db2.gz SJMBFBGICDZDCY-UHFFFAOYSA-N -1 0 362.408 -0.963 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1F ZINC001320183626 848520202 /nfs/dbraw/zinc/52/02/02/848520202.db2.gz NVSTVGVUTUSFDC-UHFFFAOYSA-N -1 0 362.379 -0.100 20 0 FBADRM CCN1CCN(S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)CC1 ZINC001320189195 848520294 /nfs/dbraw/zinc/52/02/94/848520294.db2.gz IOTPDQVMAGBBLN-UHFFFAOYSA-N -1 0 355.416 -0.173 20 0 FBADRM Cn1ncc2c1nc(CCC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1)[nH]c2=O ZINC001320223696 848522027 /nfs/dbraw/zinc/52/20/27/848522027.db2.gz GFSUJSFFCONMJR-SECBINFHSA-N -1 0 369.403 -0.374 20 0 FBADRM Cn1ncc2c1nc(CCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1)[nH]c2=O ZINC001320223697 848522739 /nfs/dbraw/zinc/52/27/39/848522739.db2.gz GFSUJSFFCONMJR-VIFPVBQESA-N -1 0 369.403 -0.374 20 0 FBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 ZINC001320242485 848524430 /nfs/dbraw/zinc/52/44/30/848524430.db2.gz QZDQFROVQOTISL-UHFFFAOYSA-N -1 0 367.387 -0.665 20 0 FBADRM COCCOCCC(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC001320246074 848524810 /nfs/dbraw/zinc/52/48/10/848524810.db2.gz KDDREXBDNISYQH-UHFFFAOYSA-N -1 0 352.394 -0.646 20 0 FBADRM CC(C)CN(CC(=O)[N-]S(=O)(=O)CC(N)=O)C(=O)OC(C)(C)C ZINC001320270483 848526160 /nfs/dbraw/zinc/52/61/60/848526160.db2.gz DQBFNKGFHUCHRW-UHFFFAOYSA-N -1 0 351.425 -0.189 20 0 FBADRM Cc1ncc(S(=O)(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)[n-]1 ZINC001320270555 848526472 /nfs/dbraw/zinc/52/64/72/848526472.db2.gz ACLMZDCKVOMGHY-UHFFFAOYSA-N -1 0 360.417 -0.275 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCCC2 ZINC001320270922 848526319 /nfs/dbraw/zinc/52/63/19/848526319.db2.gz KJAVCDILTZBTDX-UHFFFAOYSA-N -1 0 360.436 -0.356 20 0 FBADRM Cc1nn(CC(F)(F)F)c(C)c1CC(=O)[N-]S(=O)(=O)CC(N)=O ZINC001320272922 848527619 /nfs/dbraw/zinc/52/76/19/848527619.db2.gz ZKECIOXPEJQTES-UHFFFAOYSA-N -1 0 356.326 -0.464 20 0 FBADRM O=c1cc(CN2CCC(N3CCS(=O)(=O)CC3)CC2)nc2cc[n-]n21 ZINC001320274843 848526961 /nfs/dbraw/zinc/52/69/61/848526961.db2.gz ZHNKPOGGLDSFSU-UHFFFAOYSA-N -1 0 365.459 -0.283 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)cc1NC(C)=O ZINC001320277792 848527163 /nfs/dbraw/zinc/52/71/63/848527163.db2.gz FWDBGKCZOWRUMF-UHFFFAOYSA-N -1 0 356.360 -0.259 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)Cn1ccccc1=O ZINC001320278199 848527317 /nfs/dbraw/zinc/52/73/17/848527317.db2.gz KGKTXKKMHYDWNM-UHFFFAOYSA-N -1 0 357.369 -0.404 20 0 FBADRM CN1C(=O)CN([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)C1=O ZINC001320278204 848527545 /nfs/dbraw/zinc/52/75/45/848527545.db2.gz KJLSRXFGHWNRRA-UHFFFAOYSA-N -1 0 354.344 -0.270 20 0 FBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC001320278450 848527131 /nfs/dbraw/zinc/52/71/31/848527131.db2.gz AXYMNKQSQANFQY-UHFFFAOYSA-N -1 0 361.383 -0.085 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC(C(N)=O)CC2)c1 ZINC001320279664 848527112 /nfs/dbraw/zinc/52/71/12/848527112.db2.gz LODTUUVDFZMNIU-UHFFFAOYSA-N -1 0 355.416 -0.020 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)Cc2cccnc2)nn1 ZINC001320280359 848527051 /nfs/dbraw/zinc/52/70/51/848527051.db2.gz SHJPOQVABLVBIX-UHFFFAOYSA-N -1 0 352.376 -0.979 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCn3cnnc3C2)c1 ZINC001320284962 848528597 /nfs/dbraw/zinc/52/85/97/848528597.db2.gz UHRACYLYBLLHMI-UHFFFAOYSA-N -1 0 351.388 -0.110 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)c1cccn(C)c1=O ZINC001320284990 848528622 /nfs/dbraw/zinc/52/86/22/848528622.db2.gz UPUHWEWBWPHZMQ-UHFFFAOYSA-N -1 0 357.369 -0.253 20 0 FBADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC001320307503 848529157 /nfs/dbraw/zinc/52/91/57/848529157.db2.gz ZNGRHLDUYLDDJD-UHFFFAOYSA-N -1 0 371.415 -0.129 20 0 FBADRM COC(=O)NC1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C1 ZINC001320327321 848530250 /nfs/dbraw/zinc/53/02/50/848530250.db2.gz FIUHDQISBPXQKB-UHFFFAOYSA-N -1 0 357.388 -0.177 20 0 FBADRM C[C@](O)(CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)[O-] ZINC001320331127 848531326 /nfs/dbraw/zinc/53/13/26/848531326.db2.gz UERSJXUTODPYPH-HNNXBMFYSA-N -1 0 371.415 -0.566 20 0 FBADRM C[C@@](O)(CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)[O-] ZINC001320331128 848531146 /nfs/dbraw/zinc/53/11/46/848531146.db2.gz UERSJXUTODPYPH-OAHLLOKOSA-N -1 0 371.415 -0.566 20 0 FBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001320363591 848532080 /nfs/dbraw/zinc/53/20/80/848532080.db2.gz IIDLCJINLYMFDI-UHFFFAOYSA-N -1 0 361.763 -0.388 20 0 FBADRM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC001320368777 848532926 /nfs/dbraw/zinc/53/29/26/848532926.db2.gz BRCRSGOVVFLDBF-MRVPVSSYSA-N -1 0 367.367 -0.023 20 0 FBADRM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC001320368778 848532674 /nfs/dbraw/zinc/53/26/74/848532674.db2.gz BRCRSGOVVFLDBF-QMMMGPOBSA-N -1 0 367.367 -0.023 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCN1C(=O)CSC1=O ZINC001320369205 848533051 /nfs/dbraw/zinc/53/30/51/848533051.db2.gz KWLKPFDNNSTXCS-UHFFFAOYSA-N -1 0 365.414 -0.097 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)c2ccnn2C)CC1 ZINC001320379373 848533782 /nfs/dbraw/zinc/53/37/82/848533782.db2.gz RYLUXZHEWJTYOS-UHFFFAOYSA-N -1 0 364.449 -0.713 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC001320380917 848533796 /nfs/dbraw/zinc/53/37/96/848533796.db2.gz IKNNMMRAYXKVOK-UHFFFAOYSA-N -1 0 351.363 -0.959 20 0 FBADRM CNS(=O)(=O)c1ccc(NC(=O)C(=O)[N-]OC2CCOCC2)cc1 ZINC001320390242 848534325 /nfs/dbraw/zinc/53/43/25/848534325.db2.gz KMDWZFGVADCBRV-UHFFFAOYSA-N -1 0 357.388 -0.240 20 0 FBADRM C[C@H](CN(C)C(=O)Cc1ccc(S(=O)(=O)CCO)cc1)c1nnn[n-]1 ZINC001320398532 848534350 /nfs/dbraw/zinc/53/43/50/848534350.db2.gz JWYFIGJZGHJJHH-LLVKDONJSA-N -1 0 367.431 -0.230 20 0 FBADRM C[C@@H](CN(C)C(=O)Cc1ccc(S(=O)(=O)CCO)cc1)c1nnn[n-]1 ZINC001320398533 848534686 /nfs/dbraw/zinc/53/46/86/848534686.db2.gz JWYFIGJZGHJJHH-NSHDSACASA-N -1 0 367.431 -0.230 20 0 FBADRM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c1 ZINC001320401030 848534756 /nfs/dbraw/zinc/53/47/56/848534756.db2.gz SBOUWZNMQGYOOF-UHFFFAOYSA-N -1 0 361.401 -0.433 20 0 FBADRM CCOCCOCC(=O)[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC001320404832 848535175 /nfs/dbraw/zinc/53/51/75/848535175.db2.gz GNEIDUSLOTWWDH-UHFFFAOYSA-N -1 0 352.390 -0.212 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)CCn1ccccc1=O ZINC001320406272 848535170 /nfs/dbraw/zinc/53/51/70/848535170.db2.gz RESNXHYALCPSEO-UHFFFAOYSA-N -1 0 371.396 -0.013 20 0 FBADRM CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2cnc3c(cnn3C)c2)n1 ZINC001320428550 848536272 /nfs/dbraw/zinc/53/62/72/848536272.db2.gz GLMJNJWTFUEQPS-UHFFFAOYSA-N -1 0 364.391 -0.551 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-] ZINC001320432890 848536151 /nfs/dbraw/zinc/53/61/51/848536151.db2.gz AHIBEYSNKJGWRE-SSDOTTSWSA-N -1 0 352.390 -0.224 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-] ZINC001320432891 848536144 /nfs/dbraw/zinc/53/61/44/848536144.db2.gz AHIBEYSNKJGWRE-ZETCQYMHSA-N -1 0 352.390 -0.224 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)N3CC[S@](=O)C[C@@H]3C(=O)[O-])cc12 ZINC001320432904 848536583 /nfs/dbraw/zinc/53/65/83/848536583.db2.gz AOOAJENOBZCJSL-BGJPBQGDSA-N -1 0 372.428 -0.517 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)N3CC[S@@](=O)C[C@H]3C(=O)[O-])cc12 ZINC001320432905 848536721 /nfs/dbraw/zinc/53/67/21/848536721.db2.gz AOOAJENOBZCJSL-BSNNYGBQSA-N -1 0 372.428 -0.517 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)N3CC[S@@](=O)C[C@@H]3C(=O)[O-])cc12 ZINC001320432906 848536383 /nfs/dbraw/zinc/53/63/83/848536383.db2.gz AOOAJENOBZCJSL-QVQLBTGDSA-N -1 0 372.428 -0.517 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)N3CC[S@](=O)C[C@H]3C(=O)[O-])cc12 ZINC001320432907 848536394 /nfs/dbraw/zinc/53/63/94/848536394.db2.gz AOOAJENOBZCJSL-RULNZOCKSA-N -1 0 372.428 -0.517 20 0 FBADRM CCCN(CC(=O)[O-])CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001320434314 848536245 /nfs/dbraw/zinc/53/62/45/848536245.db2.gz IETBSWNCVQLUJH-GFCCVEGCSA-N -1 0 350.437 -0.555 20 0 FBADRM CCCN(CC(=O)[O-])CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC001320434315 848537442 /nfs/dbraw/zinc/53/74/42/848537442.db2.gz IETBSWNCVQLUJH-LBPRGKRZSA-N -1 0 350.437 -0.555 20 0 FBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1cccc2c1COC2=O ZINC001320434384 848537174 /nfs/dbraw/zinc/53/71/74/848537174.db2.gz LLXJTFAEJBKRLZ-MGUXCZDKSA-N -1 0 359.381 -0.437 20 0 FBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1cccc2c1COC2=O ZINC001320434386 848537611 /nfs/dbraw/zinc/53/76/11/848537611.db2.gz LLXJTFAEJBKRLZ-MLMJSJRWSA-N -1 0 359.381 -0.437 20 0 FBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1cccc2c1COC2=O ZINC001320434387 848537596 /nfs/dbraw/zinc/53/75/96/848537596.db2.gz LLXJTFAEJBKRLZ-STFLBKPXSA-N -1 0 359.381 -0.437 20 0 FBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)c1cccc2c1COC2=O ZINC001320434389 848537325 /nfs/dbraw/zinc/53/73/25/848537325.db2.gz LLXJTFAEJBKRLZ-ZQJOYCHOSA-N -1 0 359.381 -0.437 20 0 FBADRM Cn1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)nc1Cl ZINC001320434767 848537510 /nfs/dbraw/zinc/53/75/10/848537510.db2.gz PZNDXCFUQLJBSE-BQBZGAKWSA-N -1 0 350.784 -0.587 20 0 FBADRM Cn1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)nc1Cl ZINC001320434769 848537472 /nfs/dbraw/zinc/53/74/72/848537472.db2.gz PZNDXCFUQLJBSE-NKWVEPMBSA-N -1 0 350.784 -0.587 20 0 FBADRM Cn1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)nc1Cl ZINC001320434776 848537599 /nfs/dbraw/zinc/53/75/99/848537599.db2.gz PZNDXCFUQLJBSE-RNFRBKRXSA-N -1 0 350.784 -0.587 20 0 FBADRM Cn1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)nc1Cl ZINC001320434778 848537413 /nfs/dbraw/zinc/53/74/13/848537413.db2.gz PZNDXCFUQLJBSE-RQJHMYQMSA-N -1 0 350.784 -0.587 20 0 FBADRM COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001320435110 848537308 /nfs/dbraw/zinc/53/73/08/848537308.db2.gz TUMUZLBKCGDLKX-RNFRBKRXSA-N -1 0 364.763 -0.270 20 0 FBADRM CCOC(=O)CCCS(=O)(=O)N[C@H](CN1CCOCC1)C(=O)[O-] ZINC001320435297 848537369 /nfs/dbraw/zinc/53/73/69/848537369.db2.gz XAEKJNUXAXUYIE-LLVKDONJSA-N -1 0 352.409 -0.966 20 0 FBADRM CCOC(=O)CCCS(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)[O-] ZINC001320435298 848537574 /nfs/dbraw/zinc/53/75/74/848537574.db2.gz XAEKJNUXAXUYIE-NSHDSACASA-N -1 0 352.409 -0.966 20 0 FBADRM COc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1n[n-]c(=S)o1 ZINC001320440043 848537520 /nfs/dbraw/zinc/53/75/20/848537520.db2.gz HYMLWYLKLRWXRF-UHFFFAOYSA-N -1 0 358.401 -0.013 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cc1C(=O)N(C)C ZINC001320441941 848537543 /nfs/dbraw/zinc/53/75/43/848537543.db2.gz ZLUMTDJCXAMPGJ-LLVKDONJSA-N -1 0 360.388 -0.489 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O)cnc21 ZINC001320444032 848538383 /nfs/dbraw/zinc/53/83/83/848538383.db2.gz MCAMXSBIXPFNNM-UHFFFAOYSA-N -1 0 360.417 -0.402 20 0 FBADRM Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3cnn(CC(F)F)c3)nc2n1 ZINC001320445156 848538160 /nfs/dbraw/zinc/53/81/60/848538160.db2.gz HISYHQHBYRLPQJ-UHFFFAOYSA-N -1 0 359.318 -0.012 20 0 FBADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)[O-] ZINC001320446971 848538527 /nfs/dbraw/zinc/53/85/27/848538527.db2.gz RWQSSQIUKZFGKN-KCJUWKMLSA-N -1 0 351.402 -0.657 20 0 FBADRM COc1cc(OC)cc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])c1 ZINC001320449276 848538185 /nfs/dbraw/zinc/53/81/85/848538185.db2.gz BCMYTQRPNQQWHN-AWEZNQCLSA-N -1 0 374.415 -0.233 20 0 FBADRM COc1cc(OC)cc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])c1 ZINC001320449277 848538037 /nfs/dbraw/zinc/53/80/37/848538037.db2.gz BCMYTQRPNQQWHN-CQSZACIVSA-N -1 0 374.415 -0.233 20 0 FBADRM CC(=O)N(C)c1ccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cc1 ZINC001320449311 848538210 /nfs/dbraw/zinc/53/82/10/848538210.db2.gz BVYOKFKKSLSLFP-UHFFFAOYSA-N -1 0 367.387 -0.176 20 0 FBADRM Cn1cnc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])c1Cl ZINC001320449731 848538171 /nfs/dbraw/zinc/53/81/71/848538171.db2.gz IYLSHMVDQKEQJG-MRVPVSSYSA-N -1 0 352.800 -0.863 20 0 FBADRM Cn1cnc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])c1Cl ZINC001320449732 848538400 /nfs/dbraw/zinc/53/84/00/848538400.db2.gz IYLSHMVDQKEQJG-QMMMGPOBSA-N -1 0 352.800 -0.863 20 0 FBADRM O=C(c1cnc2n(c1=O)CCS2)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001320449949 848538047 /nfs/dbraw/zinc/53/80/47/848538047.db2.gz LEKXDIGHLVUKIW-MRVPVSSYSA-N -1 0 351.417 -0.208 20 0 FBADRM O=C(c1cnc2n(c1=O)CCS2)N1CCSC[C@H]1c1nnn[n-]1 ZINC001320449951 848538366 /nfs/dbraw/zinc/53/83/66/848538366.db2.gz LEKXDIGHLVUKIW-QMMMGPOBSA-N -1 0 351.417 -0.208 20 0 FBADRM CN(C1CCOCC1)S(=O)(=O)N[C@H](Cn1cc(Cl)cn1)C(=O)[O-] ZINC001320449975 848538149 /nfs/dbraw/zinc/53/81/49/848538149.db2.gz LLLLYIIEDRXWGK-LLVKDONJSA-N -1 0 366.827 -0.065 20 0 FBADRM CN(C1CCOCC1)S(=O)(=O)N[C@@H](Cn1cc(Cl)cn1)C(=O)[O-] ZINC001320449980 848538262 /nfs/dbraw/zinc/53/82/62/848538262.db2.gz LLLLYIIEDRXWGK-NSHDSACASA-N -1 0 366.827 -0.065 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)NCCc1nc(CC(=O)[O-])cs1 ZINC001320450361 848538330 /nfs/dbraw/zinc/53/83/30/848538330.db2.gz QFKIUYDUEUTLOQ-UHFFFAOYSA-N -1 0 370.474 -0.333 20 0 FBADRM Cn1c(Cl)ncc1S(=O)(=O)N[C@H](CN1CCOCC1)C(=O)[O-] ZINC001320450498 848538417 /nfs/dbraw/zinc/53/84/17/848538417.db2.gz SNUFLPMIIBQJDE-MRVPVSSYSA-N -1 0 352.800 -0.863 20 0 FBADRM Cn1c(Cl)ncc1S(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)[O-] ZINC001320450499 848538029 /nfs/dbraw/zinc/53/80/29/848538029.db2.gz SNUFLPMIIBQJDE-QMMMGPOBSA-N -1 0 352.800 -0.863 20 0 FBADRM C[C@@](O)(CNC(=O)CSCc1cc(=O)n2ccsc2n1)C(=O)[O-] ZINC001320451416 848538272 /nfs/dbraw/zinc/53/82/72/848538272.db2.gz OXJIXBGRIOQLDN-CYBMUJFWSA-N -1 0 357.413 -0.059 20 0 FBADRM C[C@](O)(CNC(=O)CSCc1cc(=O)n2ccsc2n1)C(=O)[O-] ZINC001320451418 848538130 /nfs/dbraw/zinc/53/81/30/848538130.db2.gz OXJIXBGRIOQLDN-ZDUSSCGKSA-N -1 0 357.413 -0.059 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CC1CN(S(C)(=O)=O)C1 ZINC001320457661 848539082 /nfs/dbraw/zinc/53/90/82/848539082.db2.gz WSBQHERNSGYURV-UHFFFAOYSA-N -1 0 369.446 -0.901 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCN(C(C)=O)C2)c(C)nn1C ZINC001320459115 848539145 /nfs/dbraw/zinc/53/91/45/848539145.db2.gz MKWFVZMTUIZUKE-AWEZNQCLSA-N -1 0 358.420 -0.199 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@]2(C)CCN(C(C)=O)C2)c(C)nn1C ZINC001320459116 848538942 /nfs/dbraw/zinc/53/89/42/848538942.db2.gz MKWFVZMTUIZUKE-CQSZACIVSA-N -1 0 358.420 -0.199 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)Cn3cc(C4CC4)nn3)cnc21 ZINC001320459975 848539449 /nfs/dbraw/zinc/53/94/49/848539449.db2.gz JGLMZBMBAOMULW-UHFFFAOYSA-N -1 0 361.387 -0.058 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)c2cnc3c(cnn3C)c2)nn1C ZINC001320461086 848538901 /nfs/dbraw/zinc/53/89/01/848538901.db2.gz NMPIFVBXVQBEQW-UHFFFAOYSA-N -1 0 350.360 -0.171 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)CCN3CCCC3=O)cnc21 ZINC001320461953 848539020 /nfs/dbraw/zinc/53/90/20/848539020.db2.gz UGEDVDZOFPIRHA-UHFFFAOYSA-N -1 0 351.388 -0.214 20 0 FBADRM CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1 ZINC001320462026 848539909 /nfs/dbraw/zinc/53/99/09/848539909.db2.gz WESPQNWRKXBUFR-UHFFFAOYSA-N -1 0 355.376 -0.091 20 0 FBADRM COc1nc(C(=O)OCC(=O)NC2CCN(C(C)=O)CC2)cc(=O)[n-]1 ZINC001320466235 848540270 /nfs/dbraw/zinc/54/02/70/848540270.db2.gz KVCMGRPXMBDEFZ-UHFFFAOYSA-N -1 0 352.347 -0.525 20 0 FBADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)N2CCN(C3CC3)CC2)cc1 ZINC001320470490 848540355 /nfs/dbraw/zinc/54/03/55/848540355.db2.gz WWQYBOUAAVTKOI-UHFFFAOYSA-N -1 0 367.427 -0.030 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)[N-]OCCC(F)(F)F)n1 ZINC001320480500 848541055 /nfs/dbraw/zinc/54/10/55/848541055.db2.gz IZQJGRDSRDPXAP-UHFFFAOYSA-N -1 0 351.285 -0.090 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001320506086 848542548 /nfs/dbraw/zinc/54/25/48/848542548.db2.gz GEKCFLYGODIEDE-UHFFFAOYSA-N -1 0 355.395 -0.762 20 0 FBADRM O=C(NCc1nc(=O)o[n-]1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC001320511110 848542917 /nfs/dbraw/zinc/54/29/17/848542917.db2.gz LYMRWRDHHIKFGT-UHFFFAOYSA-N -1 0 356.335 -0.127 20 0 FBADRM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C2=O)c1 ZINC001320520262 848543692 /nfs/dbraw/zinc/54/36/92/848543692.db2.gz UIBSZTKQYPAUET-GFCCVEGCSA-N -1 0 353.400 -0.328 20 0 FBADRM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C2=O)c1 ZINC001320520264 848543917 /nfs/dbraw/zinc/54/39/17/848543917.db2.gz UIBSZTKQYPAUET-LBPRGKRZSA-N -1 0 353.400 -0.328 20 0 FBADRM COc1ccc(CCNC(C)=O)cc1S(=O)(=O)[N-]C(=O)CNC(C)=O ZINC001320534040 848544753 /nfs/dbraw/zinc/54/47/53/848544753.db2.gz ZZELVYXVNKNVLY-UHFFFAOYSA-N -1 0 371.415 -0.685 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC001320564691 848547310 /nfs/dbraw/zinc/54/73/10/848547310.db2.gz BTTLSJPRQKJVCA-CVQPTBQBSA-N -1 0 368.414 -0.864 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC001320564693 848547035 /nfs/dbraw/zinc/54/70/35/848547035.db2.gz BTTLSJPRQKJVCA-GOWBUHPOSA-N -1 0 368.414 -0.864 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC001320564695 848547345 /nfs/dbraw/zinc/54/73/45/848547345.db2.gz BTTLSJPRQKJVCA-NBIFTCQSSA-N -1 0 368.414 -0.864 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC001320564697 848547048 /nfs/dbraw/zinc/54/70/48/848547048.db2.gz BTTLSJPRQKJVCA-WERWIIQRSA-N -1 0 368.414 -0.864 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1 ZINC001320566053 848547314 /nfs/dbraw/zinc/54/73/14/848547314.db2.gz DFVMAXUISWXIRO-GFCCVEGCSA-N -1 0 353.404 -0.506 20 0 FBADRM CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1 ZINC001320566055 848547124 /nfs/dbraw/zinc/54/71/24/848547124.db2.gz DFVMAXUISWXIRO-LBPRGKRZSA-N -1 0 353.404 -0.506 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)CN3CCSC3=O)cnc21 ZINC001320566491 848547295 /nfs/dbraw/zinc/54/72/95/848547295.db2.gz LCCNHWGAFFMXFX-UHFFFAOYSA-N -1 0 355.401 -0.058 20 0 FBADRM COc1ccc(CNC(C)=O)cc1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O ZINC001320566588 848547215 /nfs/dbraw/zinc/54/72/15/848547215.db2.gz FSAZQEISLMMYHK-UHFFFAOYSA-N -1 0 370.387 -0.581 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)COC[C@H]3CCCO3)cnc21 ZINC001320566856 848547228 /nfs/dbraw/zinc/54/72/28/848547228.db2.gz PTTRHKWAOYSYJL-LLVKDONJSA-N -1 0 354.388 -0.031 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)COC[C@@H]3CCCO3)cnc21 ZINC001320566857 848547164 /nfs/dbraw/zinc/54/71/64/848547164.db2.gz PTTRHKWAOYSYJL-NSHDSACASA-N -1 0 354.388 -0.031 20 0 FBADRM CN1C(=O)CN([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)C1=O ZINC001320567649 848547140 /nfs/dbraw/zinc/54/71/40/848547140.db2.gz XJAGVPWQSLLXCS-UHFFFAOYSA-N -1 0 365.364 -0.684 20 0 FBADRM Cc1nn(C)c(C)c1[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC001320567749 848547018 /nfs/dbraw/zinc/54/70/18/848547018.db2.gz ICRKQTCEVLCBRM-LLVKDONJSA-N -1 0 367.449 -0.483 20 0 FBADRM Cc1nn(C)c(C)c1[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC001320567750 848547249 /nfs/dbraw/zinc/54/72/49/848547249.db2.gz ICRKQTCEVLCBRM-NSHDSACASA-N -1 0 367.449 -0.483 20 0 FBADRM COc1cccc(CS(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])c1 ZINC001320567764 848547116 /nfs/dbraw/zinc/54/71/16/848547116.db2.gz IOYVRGJVLYCONI-AWEZNQCLSA-N -1 0 358.416 -0.100 20 0 FBADRM COc1cccc(CS(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])c1 ZINC001320567765 848547042 /nfs/dbraw/zinc/54/70/42/848547042.db2.gz IOYVRGJVLYCONI-CQSZACIVSA-N -1 0 358.416 -0.100 20 0 FBADRM O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC001320568061 848547929 /nfs/dbraw/zinc/54/79/29/848547929.db2.gz PWHPOVNTFVNOLD-CYBMUJFWSA-N -1 0 356.400 -0.315 20 0 FBADRM O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC001320568062 848548091 /nfs/dbraw/zinc/54/80/91/848548091.db2.gz PWHPOVNTFVNOLD-ZDUSSCGKSA-N -1 0 356.400 -0.315 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C ZINC001320568674 848547888 /nfs/dbraw/zinc/54/78/88/848547888.db2.gz BSBVBMAGCLONEB-UHFFFAOYSA-N -1 0 363.417 -0.103 20 0 FBADRM Cn1cnc2cc(S(=O)(=O)N[C@H](CN3CCOCC3)C(=O)[O-])ccc21 ZINC001320568989 848548079 /nfs/dbraw/zinc/54/80/79/848548079.db2.gz ZOYIROQVVBJHKK-CYBMUJFWSA-N -1 0 368.415 -0.363 20 0 FBADRM Cn1cnc2cc(S(=O)(=O)N[C@@H](CN3CCOCC3)C(=O)[O-])ccc21 ZINC001320568990 848548156 /nfs/dbraw/zinc/54/81/56/848548156.db2.gz ZOYIROQVVBJHKK-ZDUSSCGKSA-N -1 0 368.415 -0.363 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)Cn1cc(C2CC2)nn1 ZINC001320570500 848548124 /nfs/dbraw/zinc/54/81/24/848548124.db2.gz USMBVFJCRAEYPV-UHFFFAOYSA-N -1 0 371.400 -0.096 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCO[C@@]4(CCOC4)C3)cc-2c(=O)[n-]1 ZINC001320582208 848548670 /nfs/dbraw/zinc/54/86/70/848548670.db2.gz WBJAEAIZXIPTPB-AWEZNQCLSA-N -1 0 368.371 -0.384 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCO[C@]4(CCOC4)C3)cc-2c(=O)[n-]1 ZINC001320582212 848548523 /nfs/dbraw/zinc/54/85/23/848548523.db2.gz WBJAEAIZXIPTPB-CQSZACIVSA-N -1 0 368.371 -0.384 20 0 FBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)c2cnc3c(cnn3C)c2)n1 ZINC001320589218 848549902 /nfs/dbraw/zinc/54/99/02/848549902.db2.gz IGKOFNIXIUTATD-UHFFFAOYSA-N -1 0 364.387 -0.070 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)Cn2cc(C3CC3)nn2)c(C)nn1C ZINC001320589362 848549853 /nfs/dbraw/zinc/54/98/53/848549853.db2.gz CPXDSKFHFFVPSX-UHFFFAOYSA-N -1 0 354.392 -0.289 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)CCN2C(=O)CCC2=O)c(C)nn1C ZINC001320590324 848550751 /nfs/dbraw/zinc/55/07/51/848550751.db2.gz IQRKPOATGROZKA-UHFFFAOYSA-N -1 0 358.376 -0.919 20 0 FBADRM COc1cc(OC)c(S(=O)(=O)[N-]C(=O)CS(C)(=O)=O)c(OC)c1 ZINC001320597876 848551249 /nfs/dbraw/zinc/55/12/49/848551249.db2.gz MDOBCCAUHVRNIB-UHFFFAOYSA-N -1 0 367.401 -0.438 20 0 FBADRM CO[N-]C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC001320620334 848553632 /nfs/dbraw/zinc/55/36/32/848553632.db2.gz WYLAJUMERXOMTD-UHFFFAOYSA-N -1 0 373.387 -0.668 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c1 ZINC001320622762 848553920 /nfs/dbraw/zinc/55/39/20/848553920.db2.gz CHYFTFHMCSGWRE-SECBINFHSA-N -1 0 353.408 -0.202 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)c1 ZINC001320622763 848553823 /nfs/dbraw/zinc/55/38/23/848553823.db2.gz CHYFTFHMCSGWRE-VIFPVBQESA-N -1 0 353.408 -0.202 20 0 FBADRM CS(=O)(=O)NCc1ccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)o1 ZINC001320624215 848553749 /nfs/dbraw/zinc/55/37/49/848553749.db2.gz VWYKFJVTDLIFJR-SECBINFHSA-N -1 0 354.392 -0.138 20 0 FBADRM CS(=O)(=O)NCc1ccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)o1 ZINC001320624218 848554109 /nfs/dbraw/zinc/55/41/09/848554109.db2.gz VWYKFJVTDLIFJR-VIFPVBQESA-N -1 0 354.392 -0.138 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)C[C@H]3COC(=O)C3)cc2C1=O ZINC001320624604 848554263 /nfs/dbraw/zinc/55/42/63/848554263.db2.gz JOSJDLKBAQVPJJ-MRVPVSSYSA-N -1 0 366.351 -0.330 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)C[C@@H]3COC(=O)C3)cc2C1=O ZINC001320624605 848553896 /nfs/dbraw/zinc/55/38/96/848553896.db2.gz JOSJDLKBAQVPJJ-QMMMGPOBSA-N -1 0 366.351 -0.330 20 0 FBADRM COC(CN(CCCO)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)OC ZINC001320625176 848554796 /nfs/dbraw/zinc/55/47/96/848554796.db2.gz MDXMRLDPEJMGGD-UHFFFAOYSA-N -1 0 352.347 -0.121 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001320657972 848557874 /nfs/dbraw/zinc/55/78/74/848557874.db2.gz AKRQDFVRYNYJSN-BBBLOLIVSA-N -1 0 355.434 -0.545 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001320657973 848557737 /nfs/dbraw/zinc/55/77/37/848557737.db2.gz AKRQDFVRYNYJSN-KXUCPTDWSA-N -1 0 355.434 -0.545 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001320657974 848557694 /nfs/dbraw/zinc/55/76/94/848557694.db2.gz AKRQDFVRYNYJSN-OPRDCNLKSA-N -1 0 355.434 -0.545 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001320657975 848557710 /nfs/dbraw/zinc/55/77/10/848557710.db2.gz AKRQDFVRYNYJSN-UTLUCORTSA-N -1 0 355.434 -0.545 20 0 FBADRM Cc1csc2ncc(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)c(=O)n12 ZINC001320659113 848557729 /nfs/dbraw/zinc/55/77/29/848557729.db2.gz GKYPPYWXYOGJOD-UHFFFAOYSA-N -1 0 354.373 -0.162 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)c1C ZINC001320671730 848558471 /nfs/dbraw/zinc/55/84/71/848558471.db2.gz YHEZEKCAAXATGU-LLVKDONJSA-N -1 0 371.415 -0.074 20 0 FBADRM CNS(=O)(=O)c1cccc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)c1C ZINC001320671731 848558766 /nfs/dbraw/zinc/55/87/66/848558766.db2.gz YHEZEKCAAXATGU-NSHDSACASA-N -1 0 371.415 -0.074 20 0 FBADRM Cc1c([C@H](NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C(=O)[O-])cnn1C ZINC001320674547 848558771 /nfs/dbraw/zinc/55/87/71/848558771.db2.gz GOPJMCHKHZDOLE-GWCFXTLKSA-N -1 0 369.403 -0.009 20 0 FBADRM Cc1c([C@@H](NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C(=O)[O-])cnn1C ZINC001320674548 848558411 /nfs/dbraw/zinc/55/84/11/848558411.db2.gz GOPJMCHKHZDOLE-GXFFZTMASA-N -1 0 369.403 -0.009 20 0 FBADRM Cc1c([C@H](NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C(=O)[O-])cnn1C ZINC001320674549 848558672 /nfs/dbraw/zinc/55/86/72/848558672.db2.gz GOPJMCHKHZDOLE-MFKMUULPSA-N -1 0 369.403 -0.009 20 0 FBADRM Cc1c([C@@H](NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C(=O)[O-])cnn1C ZINC001320674552 848558662 /nfs/dbraw/zinc/55/86/62/848558662.db2.gz GOPJMCHKHZDOLE-ZWNOBZJWSA-N -1 0 369.403 -0.009 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C2=O)s1 ZINC001320691945 848560213 /nfs/dbraw/zinc/56/02/13/848560213.db2.gz GBDWUUJRUGSUBZ-JTQLQIEISA-N -1 0 359.429 -0.333 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C2=O)s1 ZINC001320691946 848560502 /nfs/dbraw/zinc/56/05/02/848560502.db2.gz GBDWUUJRUGSUBZ-SNVBAGLBSA-N -1 0 359.429 -0.333 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)CO[C@H]3CCOC3)cc2n(C)c1=O ZINC001320697261 848560277 /nfs/dbraw/zinc/56/02/77/848560277.db2.gz VNEAZVYLXMGNQE-JTQLQIEISA-N -1 0 369.399 -0.513 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)CO[C@@H]3CCOC3)cc2n(C)c1=O ZINC001320697262 848560429 /nfs/dbraw/zinc/56/04/29/848560429.db2.gz VNEAZVYLXMGNQE-SNVBAGLBSA-N -1 0 369.399 -0.513 20 0 FBADRM COc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)nn1C ZINC001320700593 848561088 /nfs/dbraw/zinc/56/10/88/848561088.db2.gz JOUBMKJRMCSNGO-UHFFFAOYSA-N -1 0 351.344 -0.241 20 0 FBADRM NC(=O)Cn1ccc([N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)n1 ZINC001320700602 848561322 /nfs/dbraw/zinc/56/13/22/848561322.db2.gz JUXJAORXUMAPJC-UHFFFAOYSA-N -1 0 352.298 -0.072 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCC3(CC2)NC(=O)NC3=O)cn1 ZINC001320717514 848562730 /nfs/dbraw/zinc/56/27/30/848562730.db2.gz SRMBXXYRXSOAFP-UHFFFAOYSA-N -1 0 366.399 -0.037 20 0 FBADRM O=C(Cn1nnc2ccccc2c1=O)[N-]S(=O)(=O)C1CCOCC1 ZINC001320720080 848562724 /nfs/dbraw/zinc/56/27/24/848562724.db2.gz OALHAMMGODQXEU-UHFFFAOYSA-N -1 0 352.372 -0.584 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)n(C)c1 ZINC001320720411 848563057 /nfs/dbraw/zinc/56/30/57/848563057.db2.gz GCROXZDGKCGTIF-LLVKDONJSA-N -1 0 369.407 -0.998 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)n(C)c1 ZINC001320720412 848562592 /nfs/dbraw/zinc/56/25/92/848562592.db2.gz GCROXZDGKCGTIF-NSHDSACASA-N -1 0 369.407 -0.998 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(C)=O)s1 ZINC001320720535 848562820 /nfs/dbraw/zinc/56/28/20/848562820.db2.gz YEJXNGNGYCUTAY-MRVPVSSYSA-N -1 0 361.445 -0.244 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(C)=O)s1 ZINC001320720536 848562554 /nfs/dbraw/zinc/56/25/54/848562554.db2.gz YEJXNGNGYCUTAY-QMMMGPOBSA-N -1 0 361.445 -0.244 20 0 FBADRM O=C(Cn1cc(NC(=O)C(=O)[N-]O[C@@H]2CCCCO2)cn1)NC1CC1 ZINC001320727689 848563626 /nfs/dbraw/zinc/56/36/26/848563626.db2.gz AFUUSXUSBZGUDJ-CYBMUJFWSA-N -1 0 351.363 -0.325 20 0 FBADRM O=C(Cn1cc(NC(=O)C(=O)[N-]O[C@H]2CCCCO2)cn1)NC1CC1 ZINC001320727691 848563445 /nfs/dbraw/zinc/56/34/45/848563445.db2.gz AFUUSXUSBZGUDJ-ZDUSSCGKSA-N -1 0 351.363 -0.325 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC001320728058 848563918 /nfs/dbraw/zinc/56/39/18/848563918.db2.gz IAYPPDIQIYBDKI-UHFFFAOYSA-N -1 0 362.264 -0.550 20 0 FBADRM CC(C)n1cnc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC001320739210 848565401 /nfs/dbraw/zinc/56/54/01/848565401.db2.gz ASGHXUQERWJIOB-SECBINFHSA-N -1 0 351.406 -0.664 20 0 FBADRM CC(C)n1cnc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC001320739211 848565286 /nfs/dbraw/zinc/56/52/86/848565286.db2.gz ASGHXUQERWJIOB-VIFPVBQESA-N -1 0 351.406 -0.664 20 0 FBADRM CS(=O)(=O)Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001320739419 848565150 /nfs/dbraw/zinc/56/51/50/848565150.db2.gz GAJOEAWCAPYGOY-ZYHUDNBSSA-N -1 0 363.413 -0.560 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])CC1 ZINC001320741155 848566089 /nfs/dbraw/zinc/56/60/89/848566089.db2.gz ANSUPHKWSDURMR-LLVKDONJSA-N -1 0 364.420 -0.966 20 0 FBADRM COC(=O)CC1(CS(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])CC1 ZINC001320741156 848566169 /nfs/dbraw/zinc/56/61/69/848566169.db2.gz ANSUPHKWSDURMR-NSHDSACASA-N -1 0 364.420 -0.966 20 0 FBADRM COCc1cccc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])c1 ZINC001320742705 848565913 /nfs/dbraw/zinc/56/59/13/848565913.db2.gz YOKSGTPAPHCJBQ-AWEZNQCLSA-N -1 0 358.416 -0.103 20 0 FBADRM COCc1cccc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])c1 ZINC001320742706 848565978 /nfs/dbraw/zinc/56/59/78/848565978.db2.gz YOKSGTPAPHCJBQ-CQSZACIVSA-N -1 0 358.416 -0.103 20 0 FBADRM O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001320742717 848566113 /nfs/dbraw/zinc/56/61/13/848566113.db2.gz YUIFZJZSMPJJON-GFCCVEGCSA-N -1 0 372.399 -0.479 20 0 FBADRM O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001320742718 848566013 /nfs/dbraw/zinc/56/60/13/848566013.db2.gz YUIFZJZSMPJJON-LBPRGKRZSA-N -1 0 372.399 -0.479 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)[C@H]3CC(=O)N(C4CC4)C3)cnc21 ZINC001320744073 848565972 /nfs/dbraw/zinc/56/59/72/848565972.db2.gz BENUBLFEVYTXHU-JTQLQIEISA-N -1 0 363.399 -0.216 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)[C@@H]3CC(=O)N(C4CC4)C3)cnc21 ZINC001320744074 848565994 /nfs/dbraw/zinc/56/59/94/848565994.db2.gz BENUBLFEVYTXHU-SNVBAGLBSA-N -1 0 363.399 -0.216 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)[C@@H]3CCN(C)C(=O)C3)cnc21 ZINC001320745419 848566190 /nfs/dbraw/zinc/56/61/90/848566190.db2.gz IPSLWYVAJNPPCM-SECBINFHSA-N -1 0 351.388 -0.358 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)[C@H]3CCN(C)C(=O)C3)cnc21 ZINC001320745421 848566194 /nfs/dbraw/zinc/56/61/94/848566194.db2.gz IPSLWYVAJNPPCM-VIFPVBQESA-N -1 0 351.388 -0.358 20 0 FBADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)[N-]S(=O)(=O)C2CCOCC2)c1 ZINC001320750644 848566929 /nfs/dbraw/zinc/56/69/29/848566929.db2.gz OXAVIVFXIYAUAF-UHFFFAOYSA-N -1 0 365.433 -0.496 20 0 FBADRM Cc1nc(C(=O)[N-]N2CCCNC2=O)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC001320753951 848566753 /nfs/dbraw/zinc/56/67/53/848566753.db2.gz MGRYPDAXPQSVKJ-UHFFFAOYSA-N -1 0 359.272 -0.227 20 0 FBADRM CN1C(=O)CN([N-]C(=O)c2nc3ncc(Br)cn3n2)C1=O ZINC001320754240 848566998 /nfs/dbraw/zinc/56/69/98/848566998.db2.gz PCJBMFCGBBWQEH-UHFFFAOYSA-N -1 0 354.124 -0.574 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)NCc1nc(C)c(C(=O)[O-])s1 ZINC001320754436 848566917 /nfs/dbraw/zinc/56/69/17/848566917.db2.gz RUEFUVZHYXUURF-UHFFFAOYSA-N -1 0 356.404 -0.202 20 0 FBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)CC(=O)NCC(F)(F)F ZINC001320761127 848567710 /nfs/dbraw/zinc/56/77/10/848567710.db2.gz BISDJMHKVNEELU-UHFFFAOYSA-N -1 0 367.324 -0.163 20 0 FBADRM CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC001320762193 848567954 /nfs/dbraw/zinc/56/79/54/848567954.db2.gz CKYZFCKWLDMMLU-UHFFFAOYSA-N -1 0 359.376 -0.222 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)CCNC(=O)c2ccco2)c(C)nn1C ZINC001320762654 848567440 /nfs/dbraw/zinc/56/74/40/848567440.db2.gz DBHAUCQMCNSUAE-UHFFFAOYSA-N -1 0 370.387 -0.045 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)CCCN2C(=O)CCC2=O)c(C)nn1C ZINC001320762995 848567493 /nfs/dbraw/zinc/56/74/93/848567493.db2.gz HRGXHTITMKOJAD-UHFFFAOYSA-N -1 0 372.403 -0.529 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)CCn2ccccc2=O)c(C)nn1C ZINC001320763233 848567816 /nfs/dbraw/zinc/56/78/16/848567816.db2.gz GSXPSYLGFYRIMT-UHFFFAOYSA-N -1 0 354.388 -0.206 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN(C(C)=O)C2)c(C)nn1C ZINC001320764066 848568680 /nfs/dbraw/zinc/56/86/80/848568680.db2.gz OUDBJCYFLQJMLX-LLVKDONJSA-N -1 0 358.420 -0.199 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@H]2CCCN(C(C)=O)C2)c(C)nn1C ZINC001320764068 848568337 /nfs/dbraw/zinc/56/83/37/848568337.db2.gz OUDBJCYFLQJMLX-NSHDSACASA-N -1 0 358.420 -0.199 20 0 FBADRM NC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC001320764568 848568741 /nfs/dbraw/zinc/56/87/41/848568741.db2.gz OHVLWHFVWGLXTL-MRVPVSSYSA-N -1 0 365.362 -0.256 20 0 FBADRM NC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC001320764570 848568568 /nfs/dbraw/zinc/56/85/68/848568568.db2.gz OHVLWHFVWGLXTL-QMMMGPOBSA-N -1 0 365.362 -0.256 20 0 FBADRM CS(=O)(=O)NCc1ccc(C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)o1 ZINC001320772055 848568786 /nfs/dbraw/zinc/56/87/86/848568786.db2.gz BYJBZLUCJPLUEU-BXKDBHETSA-N -1 0 360.388 -0.062 20 0 FBADRM CS(=O)(=O)NCc1ccc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)o1 ZINC001320772058 848568692 /nfs/dbraw/zinc/56/86/92/848568692.db2.gz BYJBZLUCJPLUEU-CABZTGNLSA-N -1 0 360.388 -0.062 20 0 FBADRM CS(=O)(=O)NCc1ccc(C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)o1 ZINC001320772060 848568597 /nfs/dbraw/zinc/56/85/97/848568597.db2.gz BYJBZLUCJPLUEU-JOYOIKCWSA-N -1 0 360.388 -0.062 20 0 FBADRM CS(=O)(=O)NCc1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)o1 ZINC001320772062 848568350 /nfs/dbraw/zinc/56/83/50/848568350.db2.gz BYJBZLUCJPLUEU-SKDRFNHKSA-N -1 0 360.388 -0.062 20 0 FBADRM COCCOc1ccc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)cc1F ZINC001320779204 848569165 /nfs/dbraw/zinc/56/91/65/848569165.db2.gz UJIICXPSKZKIST-UHFFFAOYSA-N -1 0 353.310 -0.071 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC001320781632 848569462 /nfs/dbraw/zinc/56/94/62/848569462.db2.gz FSUXNXSDOXCGBW-SECBINFHSA-N -1 0 350.310 -0.176 20 0 FBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC001320781634 848569422 /nfs/dbraw/zinc/56/94/22/848569422.db2.gz FSUXNXSDOXCGBW-VIFPVBQESA-N -1 0 350.310 -0.176 20 0 FBADRM CNS(=O)(=O)c1ccc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)cc1 ZINC001320782832 848569208 /nfs/dbraw/zinc/56/92/08/848569208.db2.gz NESALANIUQRJNJ-JTQLQIEISA-N -1 0 357.388 -0.383 20 0 FBADRM CNS(=O)(=O)c1ccc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cc1 ZINC001320782833 848569320 /nfs/dbraw/zinc/56/93/20/848569320.db2.gz NESALANIUQRJNJ-SNVBAGLBSA-N -1 0 357.388 -0.383 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCCO3)cc1 ZINC001320785074 848570229 /nfs/dbraw/zinc/57/02/29/848570229.db2.gz DIHQEXHMRIMCCC-UHFFFAOYSA-N -1 0 350.356 -0.117 20 0 FBADRM COc1nn(C)cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC001320801785 848572157 /nfs/dbraw/zinc/57/21/57/848572157.db2.gz ZWZFNWKWEHOVBZ-UHFFFAOYSA-N -1 0 351.344 -0.241 20 0 FBADRM CN(CCCOc1ccc(S(C)(=O)=O)cc1)CC(=O)NCC(=O)[O-] ZINC001320804381 848571916 /nfs/dbraw/zinc/57/19/16/848571916.db2.gz KXKGZEXSYCQSRQ-UHFFFAOYSA-N -1 0 358.416 -0.008 20 0 FBADRM O=C([O-])[C@H](O)[C@H]1CCCN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC001320805263 848572126 /nfs/dbraw/zinc/57/21/26/848572126.db2.gz CQXHHPXKFYOZMU-DMDPSCGWSA-N -1 0 359.404 -0.309 20 0 FBADRM O=C([O-])[C@H](O)[C@H]1CCCN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC001320805265 848571971 /nfs/dbraw/zinc/57/19/71/848571971.db2.gz CQXHHPXKFYOZMU-GMXVVIOVSA-N -1 0 359.404 -0.309 20 0 FBADRM O=C([O-])[C@H](O)[C@@H]1CCCN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC001320805267 848572300 /nfs/dbraw/zinc/57/23/00/848572300.db2.gz CQXHHPXKFYOZMU-NQBHXWOUSA-N -1 0 359.404 -0.309 20 0 FBADRM O=C([O-])[C@H](O)[C@@H]1CCCN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC001320805269 848571759 /nfs/dbraw/zinc/57/17/59/848571759.db2.gz CQXHHPXKFYOZMU-NTZNESFSSA-N -1 0 359.404 -0.309 20 0 FBADRM CS(=O)(=O)[C@H]1CCCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001320814301 848573215 /nfs/dbraw/zinc/57/32/15/848573215.db2.gz PHKBSWQMUQHPPK-JTQLQIEISA-N -1 0 353.404 -0.503 20 0 FBADRM CS(=O)(=O)[C@@H]1CCCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001320814302 848572998 /nfs/dbraw/zinc/57/29/98/848572998.db2.gz PHKBSWQMUQHPPK-SNVBAGLBSA-N -1 0 353.404 -0.503 20 0 FBADRM O=C([N-]N1CC(=O)NC1=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC001320819532 848572925 /nfs/dbraw/zinc/57/29/25/848572925.db2.gz GFNRFHHTZLNZAV-UHFFFAOYSA-N -1 0 358.401 -0.271 20 0 FBADRM CCOC1CC(CNC(=O)CSc2n[nH]c(=O)[n-]2)(N2CCOCC2)C1 ZINC001320825649 848573273 /nfs/dbraw/zinc/57/32/73/848573273.db2.gz SLTBPYOFFLCXDO-UHFFFAOYSA-N -1 0 371.463 -0.012 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCCC2)[N-]S(=O)(=O)c1ncccc1F ZINC001320844695 848575140 /nfs/dbraw/zinc/57/51/40/848575140.db2.gz LRZAWVKRZIERRT-UHFFFAOYSA-N -1 0 369.378 -0.190 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CC1(C(N)=O)CCOCC1 ZINC001320874436 848576634 /nfs/dbraw/zinc/57/66/34/848576634.db2.gz YGVJNVPKTLZIQT-UHFFFAOYSA-N -1 0 363.417 -0.510 20 0 FBADRM CS(=O)(=O)CCn1ccc([N-]S(=O)(=O)c2cnc3n2CCC3)n1 ZINC001320877581 848577419 /nfs/dbraw/zinc/57/74/19/848577419.db2.gz JDTRBTRWRJMPLG-UHFFFAOYSA-N -1 0 359.433 -0.129 20 0 FBADRM Cc1c(Br)cc(C(=O)[N-]S(=O)(=O)N(C)C)c(=O)n1C ZINC001320879036 848577247 /nfs/dbraw/zinc/57/72/47/848577247.db2.gz FBOHBZNHNNLUHC-UHFFFAOYSA-N -1 0 352.210 -0.008 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCC(=O)N1CCC(C(N)=O)CC1 ZINC001320882717 848577087 /nfs/dbraw/zinc/57/70/87/848577087.db2.gz VYOFKBGETQNPAM-UHFFFAOYSA-N -1 0 367.324 -0.289 20 0 FBADRM COCCn1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)cc2)n1 ZINC001320893937 848578295 /nfs/dbraw/zinc/57/82/95/848578295.db2.gz DQSGNHAZKDVLTJ-UHFFFAOYSA-N -1 0 352.372 -0.253 20 0 FBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@H]1CCCCS1(=O)=O ZINC001320895906 848578449 /nfs/dbraw/zinc/57/84/49/848578449.db2.gz WPXNFPAVNMRSNO-GFCCVEGCSA-N -1 0 360.432 -0.265 20 0 FBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@@H]1CCCCS1(=O)=O ZINC001320895907 848578992 /nfs/dbraw/zinc/57/89/92/848578992.db2.gz WPXNFPAVNMRSNO-LBPRGKRZSA-N -1 0 360.432 -0.265 20 0 FBADRM CS(=O)(=O)NCc1ccc(C(=O)NCC2(C(=O)[O-])CCOCC2)o1 ZINC001320895911 848579158 /nfs/dbraw/zinc/57/91/58/848579158.db2.gz WTDAVPKKFLKORU-UHFFFAOYSA-N -1 0 360.388 -0.060 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2ncn(CC(F)(F)F)n2)c(=O)n(C)c1=O ZINC001320898440 848579326 /nfs/dbraw/zinc/57/93/26/848579326.db2.gz DFLZLESAVPVYFC-UHFFFAOYSA-N -1 0 368.297 -0.961 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3n[nH]cc3C2)cc1C(N)=O ZINC001320905886 848580032 /nfs/dbraw/zinc/58/00/32/848580032.db2.gz KLNUGMUMFVONSY-MRVPVSSYSA-N -1 0 351.388 -0.543 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCc3n[nH]cc3C2)cc1C(N)=O ZINC001320905888 848579925 /nfs/dbraw/zinc/57/99/25/848579925.db2.gz KLNUGMUMFVONSY-QMMMGPOBSA-N -1 0 351.388 -0.543 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccccc1SCC(N)=O ZINC001320906346 848580011 /nfs/dbraw/zinc/58/00/11/848580011.db2.gz OEOPIMPCYSRGSZ-UHFFFAOYSA-N -1 0 359.429 -0.540 20 0 FBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC001320916547 848580659 /nfs/dbraw/zinc/58/06/59/848580659.db2.gz ZUPYUOVQEWFEQQ-JTQLQIEISA-N -1 0 367.435 -0.020 20 0 FBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC001320916548 848580932 /nfs/dbraw/zinc/58/09/32/848580932.db2.gz ZUPYUOVQEWFEQQ-SNVBAGLBSA-N -1 0 367.435 -0.020 20 0 FBADRM CC(=O)N(Cc1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc1)C(C)C ZINC001320923760 848582259 /nfs/dbraw/zinc/58/22/59/848582259.db2.gz SLOCUTSBBQPFFY-UHFFFAOYSA-N -1 0 350.375 -0.085 20 0 FBADRM CCO[N-]C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC001320923835 848582809 /nfs/dbraw/zinc/58/28/09/848582809.db2.gz WFZZTTZIOCINTM-UHFFFAOYSA-N -1 0 371.419 -0.831 20 0 FBADRM CCO[N-]C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC001320924000 848582609 /nfs/dbraw/zinc/58/26/09/848582609.db2.gz YINAPINNBJEMQG-GHMZBOCLSA-N -1 0 353.379 -0.475 20 0 FBADRM CCO[N-]C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001320924001 848582707 /nfs/dbraw/zinc/58/27/07/848582707.db2.gz YINAPINNBJEMQG-PHIMTYICSA-N -1 0 353.379 -0.475 20 0 FBADRM CCO[N-]C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC001320924002 848582758 /nfs/dbraw/zinc/58/27/58/848582758.db2.gz YINAPINNBJEMQG-QWRGUYRKSA-N -1 0 353.379 -0.475 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)c(C)nn1C ZINC001320949084 848584213 /nfs/dbraw/zinc/58/42/13/848584213.db2.gz JVKNESUSPHEFTL-NXEZZACHSA-N -1 0 358.420 -0.166 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C(N)=O)C2)c(C)nn1C ZINC001320949085 848584298 /nfs/dbraw/zinc/58/42/98/848584298.db2.gz JVKNESUSPHEFTL-UWVGGRQHSA-N -1 0 358.420 -0.166 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C(N)=O)C2)c(C)nn1C ZINC001320949086 848584192 /nfs/dbraw/zinc/58/41/92/848584192.db2.gz JVKNESUSPHEFTL-VHSXEESVSA-N -1 0 358.420 -0.166 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(N)=O)C2)c(C)nn1C ZINC001320949087 848584425 /nfs/dbraw/zinc/58/44/25/848584425.db2.gz JVKNESUSPHEFTL-ZJUUUORDSA-N -1 0 358.420 -0.166 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)CCN1CCCC1=O ZINC001320970588 848586248 /nfs/dbraw/zinc/58/62/48/848586248.db2.gz RRLCAALKVNHQCL-UHFFFAOYSA-N -1 0 361.401 -0.253 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)CC(=O)NCCc2nc(=O)o[n-]2)cc1F ZINC001320975374 848586313 /nfs/dbraw/zinc/58/63/13/848586313.db2.gz HRLZJXSGEYHKPL-UHFFFAOYSA-N -1 0 371.346 -0.163 20 0 FBADRM CNC(=O)COc1ccc(C(=O)NCCc2nc(=O)o[n-]2)cc1OC ZINC001320976147 848586128 /nfs/dbraw/zinc/58/61/28/848586128.db2.gz SCAFMWDFBXZRNO-UHFFFAOYSA-N -1 0 350.331 -0.531 20 0 FBADRM NC(=O)CCOc1ccccc1NC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001320981032 848586619 /nfs/dbraw/zinc/58/66/19/848586619.db2.gz IJIVTFYJFNEOGD-LLVKDONJSA-N -1 0 351.359 -0.036 20 0 FBADRM NC(=O)CCOc1ccccc1NC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001320981033 848586930 /nfs/dbraw/zinc/58/69/30/848586930.db2.gz IJIVTFYJFNEOGD-NSHDSACASA-N -1 0 351.359 -0.036 20 0 FBADRM O=C([O-])c1occc1CN1CCN(C(=O)N2CCS(=O)(=O)CC2)CC1 ZINC001320983336 848587035 /nfs/dbraw/zinc/58/70/35/848587035.db2.gz ZJEIVCFRELGNLF-UHFFFAOYSA-N -1 0 371.415 -0.054 20 0 FBADRM CNC(=O)COc1ccc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cc1 ZINC001320983388 848586724 /nfs/dbraw/zinc/58/67/24/848586724.db2.gz VQBSIVCJEPYRTI-LLVKDONJSA-N -1 0 351.359 -0.166 20 0 FBADRM CNC(=O)COc1ccc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)cc1 ZINC001320983389 848586850 /nfs/dbraw/zinc/58/68/50/848586850.db2.gz VQBSIVCJEPYRTI-NSHDSACASA-N -1 0 351.359 -0.166 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)ccc1C ZINC001320983890 848587147 /nfs/dbraw/zinc/58/71/47/848587147.db2.gz ZPJDNMNNHTVPBC-LLVKDONJSA-N -1 0 371.415 -0.074 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)ccc1C ZINC001320983893 848586903 /nfs/dbraw/zinc/58/69/03/848586903.db2.gz ZPJDNMNNHTVPBC-NSHDSACASA-N -1 0 371.415 -0.074 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(F)c2)n1 ZINC001320988162 848586765 /nfs/dbraw/zinc/58/67/65/848586765.db2.gz HXQQCGZOZQWXQK-UHFFFAOYSA-N -1 0 370.366 -0.078 20 0 FBADRM Cc1c([C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-])cnn1C ZINC001320993883 848586894 /nfs/dbraw/zinc/58/68/94/848586894.db2.gz SXPDYFZHXDFSFA-JTQLQIEISA-N -1 0 353.422 -0.792 20 0 FBADRM Cc1c([C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-])cnn1C ZINC001320993889 848586809 /nfs/dbraw/zinc/58/68/09/848586809.db2.gz SXPDYFZHXDFSFA-SNVBAGLBSA-N -1 0 353.422 -0.792 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(I)cn1 ZINC001320997040 848587987 /nfs/dbraw/zinc/58/79/87/848587987.db2.gz QICULWDCUNURRA-UHFFFAOYSA-N -1 0 364.099 -0.842 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1 ZINC001321005230 848588625 /nfs/dbraw/zinc/58/86/25/848588625.db2.gz MZOBGCNDTHTAAO-UHFFFAOYSA-N -1 0 350.331 -0.282 20 0 FBADRM C[C@@H](Sc1nncn1C)C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC001321009226 848588615 /nfs/dbraw/zinc/58/86/15/848588615.db2.gz AQASNPFJFNDEOT-MRVPVSSYSA-N -1 0 356.433 -0.057 20 0 FBADRM C[C@H](Sc1nncn1C)C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC001321009227 848588566 /nfs/dbraw/zinc/58/85/66/848588566.db2.gz AQASNPFJFNDEOT-QMMMGPOBSA-N -1 0 356.433 -0.057 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)CC1 ZINC001321011467 848588645 /nfs/dbraw/zinc/58/86/45/848588645.db2.gz QEYWNCXQZDHSFO-UHFFFAOYSA-N -1 0 350.422 -0.724 20 0 FBADRM Cc1ccn(CC(=O)[N-]S(=O)(=O)c2cnc3c(cnn3C)c2)c(=O)c1 ZINC001321016508 848588414 /nfs/dbraw/zinc/58/84/14/848588414.db2.gz VSNDTZCCMQLZIG-UHFFFAOYSA-N -1 0 361.383 -0.056 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@H](CO)C(=O)OCc1ccccc1 ZINC001321020553 848589485 /nfs/dbraw/zinc/58/94/85/848589485.db2.gz VIGQHYMHDFPWJM-AAEUAGOBSA-N -1 0 358.416 -0.513 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@H](CO)C(=O)OCc1ccccc1 ZINC001321020554 848589147 /nfs/dbraw/zinc/58/91/47/848589147.db2.gz VIGQHYMHDFPWJM-DGCLKSJQSA-N -1 0 358.416 -0.513 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-][C@H](CO)C(=O)OCc1ccccc1 ZINC001321020555 848589079 /nfs/dbraw/zinc/58/90/79/848589079.db2.gz VIGQHYMHDFPWJM-WCQYABFASA-N -1 0 358.416 -0.513 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@H](CO)C(=O)OCc1ccccc1 ZINC001321020556 848589475 /nfs/dbraw/zinc/58/94/75/848589475.db2.gz VIGQHYMHDFPWJM-YPMHNXCESA-N -1 0 358.416 -0.513 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)cs1 ZINC001321030789 848590234 /nfs/dbraw/zinc/59/02/34/848590234.db2.gz RDETZPGFPUFKOK-UHFFFAOYSA-N -1 0 358.405 -0.578 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)[N-][C@H](CO)C(=O)OCc1ccccc1 ZINC001321040122 848590143 /nfs/dbraw/zinc/59/01/43/848590143.db2.gz RAQMYNTWEMQQHR-GFCCVEGCSA-N -1 0 365.429 -0.945 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)[N-][C@@H](CO)C(=O)OCc1ccccc1 ZINC001321040125 848589921 /nfs/dbraw/zinc/58/99/21/848589921.db2.gz RAQMYNTWEMQQHR-LBPRGKRZSA-N -1 0 365.429 -0.945 20 0 FBADRM Cn1ccnc1CN1CCC(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CC1 ZINC001321040971 848589666 /nfs/dbraw/zinc/58/96/66/848589666.db2.gz YIQKCXDRXZBLBY-UHFFFAOYSA-N -1 0 367.435 -0.208 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)[C@H]3CCCCS3(=O)=O)cnc21 ZINC001321048158 848590704 /nfs/dbraw/zinc/59/07/04/848590704.db2.gz HKYNDMOHNSMHHE-LLVKDONJSA-N -1 0 372.428 -0.260 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)[C@@H]3CCCCS3(=O)=O)cnc21 ZINC001321048163 848590886 /nfs/dbraw/zinc/59/08/86/848590886.db2.gz HKYNDMOHNSMHHE-NSHDSACASA-N -1 0 372.428 -0.260 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@H]2CCCCS2(=O)=O)c(C)nn1C ZINC001321048312 848590419 /nfs/dbraw/zinc/59/04/19/848590419.db2.gz ILACDYQYLHGXAZ-SECBINFHSA-N -1 0 365.433 -0.491 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCS2(=O)=O)c(C)nn1C ZINC001321048314 848591042 /nfs/dbraw/zinc/59/10/42/848591042.db2.gz ILACDYQYLHGXAZ-VIFPVBQESA-N -1 0 365.433 -0.491 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C)nc1 ZINC001321049850 848590920 /nfs/dbraw/zinc/59/09/20/848590920.db2.gz RJOGNLAGLVRXIA-CYBMUJFWSA-N -1 0 368.415 -0.678 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C)nc1 ZINC001321049852 848591037 /nfs/dbraw/zinc/59/10/37/848591037.db2.gz RJOGNLAGLVRXIA-ZDUSSCGKSA-N -1 0 368.415 -0.678 20 0 FBADRM CC(=O)OC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC001321059323 848591518 /nfs/dbraw/zinc/59/15/18/848591518.db2.gz YGAAAKNSZLAYNU-JTQLQIEISA-N -1 0 360.388 -0.704 20 0 FBADRM CC(=O)OC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC001321059326 848591939 /nfs/dbraw/zinc/59/19/39/848591939.db2.gz YGAAAKNSZLAYNU-SNVBAGLBSA-N -1 0 360.388 -0.704 20 0 FBADRM Cc1nc(Cn2nnc(C(=O)[N-]S(=O)(=O)N(C)C(C)C)c2C)no1 ZINC001321061074 848592283 /nfs/dbraw/zinc/59/22/83/848592283.db2.gz ACIAZWLFKYGRJZ-UHFFFAOYSA-N -1 0 357.396 -0.359 20 0 FBADRM CN(Cc1ncnn1CC(F)F)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001321063793 848592746 /nfs/dbraw/zinc/59/27/46/848592746.db2.gz PRPZTIHNNYKJOS-UHFFFAOYSA-N -1 0 352.305 -0.414 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](CO)C1CCOCC1 ZINC001321078954 848594201 /nfs/dbraw/zinc/59/42/01/848594201.db2.gz HCDDSYXHUJBURO-SECBINFHSA-N -1 0 350.418 -0.005 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](CO)C1CCOCC1 ZINC001321078955 848594597 /nfs/dbraw/zinc/59/45/97/848594597.db2.gz HCDDSYXHUJBURO-VIFPVBQESA-N -1 0 350.418 -0.005 20 0 FBADRM CC(=O)N1CCN(CCNS(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC001321085257 848594254 /nfs/dbraw/zinc/59/42/54/848594254.db2.gz FXKBBZZDGFNCOP-UHFFFAOYSA-N -1 0 355.416 -0.173 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)CO[C@@H]2CCOC2)cc1 ZINC001321096581 848596328 /nfs/dbraw/zinc/59/63/28/848596328.db2.gz FBHFRBMFRLCDOF-CYBMUJFWSA-N -1 0 356.400 -0.202 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)CO[C@H]2CCOC2)cc1 ZINC001321096582 848596139 /nfs/dbraw/zinc/59/61/39/848596139.db2.gz FBHFRBMFRLCDOF-ZDUSSCGKSA-N -1 0 356.400 -0.202 20 0 FBADRM C[C@@H]1CN(c2ccc(NC(=O)C(=O)[N-]OCC(N)=O)cn2)C[C@H](C)O1 ZINC001321132317 848599198 /nfs/dbraw/zinc/59/91/98/848599198.db2.gz IMGRHLGAWDLBPQ-AOOOYVTPSA-N -1 0 351.363 -0.833 20 0 FBADRM C[C@@H]1CN(c2ccc(NC(=O)C(=O)[N-]OCC(N)=O)cn2)C[C@@H](C)O1 ZINC001321132318 848598782 /nfs/dbraw/zinc/59/87/82/848598782.db2.gz IMGRHLGAWDLBPQ-NXEZZACHSA-N -1 0 351.363 -0.833 20 0 FBADRM C[C@H]1CN(c2ccc(NC(=O)C(=O)[N-]OCC(N)=O)cn2)C[C@H](C)O1 ZINC001321132319 848598967 /nfs/dbraw/zinc/59/89/67/848598967.db2.gz IMGRHLGAWDLBPQ-UWVGGRQHSA-N -1 0 351.363 -0.833 20 0 FBADRM O=C(CNC(=O)OCC(F)(F)F)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001321140478 848600937 /nfs/dbraw/zinc/60/09/37/848600937.db2.gz LWRJKQNHXZKBDA-UHFFFAOYSA-N -1 0 352.273 -0.702 20 0 FBADRM CS(=O)(=O)N1CCC(NC(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)CC1 ZINC001321145176 848601700 /nfs/dbraw/zinc/60/17/00/848601700.db2.gz PEBDBHJWWPNPSG-CMPLNLGQSA-N -1 0 363.436 -0.411 20 0 FBADRM CS(=O)(=O)N1CCC(NC(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)CC1 ZINC001321145177 848601484 /nfs/dbraw/zinc/60/14/84/848601484.db2.gz PEBDBHJWWPNPSG-JQWIXIFHSA-N -1 0 363.436 -0.411 20 0 FBADRM CS(=O)(=O)N1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)CC1 ZINC001321145178 848601741 /nfs/dbraw/zinc/60/17/41/848601741.db2.gz PEBDBHJWWPNPSG-PWSUYJOCSA-N -1 0 363.436 -0.411 20 0 FBADRM CS(=O)(=O)N1CCC(NC(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)CC1 ZINC001321145179 848601820 /nfs/dbraw/zinc/60/18/20/848601820.db2.gz PEBDBHJWWPNPSG-ZYHUDNBSSA-N -1 0 363.436 -0.411 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC001321149075 848601580 /nfs/dbraw/zinc/60/15/80/848601580.db2.gz RGQTYRSWLSGLIC-MRVPVSSYSA-N -1 0 357.392 -0.518 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC001321149076 848601913 /nfs/dbraw/zinc/60/19/13/848601913.db2.gz RGQTYRSWLSGLIC-QMMMGPOBSA-N -1 0 357.392 -0.518 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C1CCN(c2cnccn2)CC1 ZINC001321150612 848602556 /nfs/dbraw/zinc/60/25/56/848602556.db2.gz WAIDMCZXVOMTMT-UHFFFAOYSA-N -1 0 355.420 -0.725 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccccc1Cn1cncn1 ZINC001321150781 848602583 /nfs/dbraw/zinc/60/25/83/848602583.db2.gz XXDJQFVIOSSVKI-UHFFFAOYSA-N -1 0 351.388 -0.478 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@H](O)CN1CCCC1=O ZINC001321170579 848603163 /nfs/dbraw/zinc/60/31/63/848603163.db2.gz IKWSVSLMDCWYCO-MRVPVSSYSA-N -1 0 363.417 -0.809 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@H](O)CN1CCCC1=O ZINC001321170580 848603362 /nfs/dbraw/zinc/60/33/62/848603362.db2.gz IKWSVSLMDCWYCO-QMMMGPOBSA-N -1 0 363.417 -0.809 20 0 FBADRM CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001321173643 848604157 /nfs/dbraw/zinc/60/41/57/848604157.db2.gz HQQOEUIXUJSGTF-NSHDSACASA-N -1 0 351.411 -0.408 20 0 FBADRM COC(=O)CN(C)CCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC001321179621 848603956 /nfs/dbraw/zinc/60/39/56/848603956.db2.gz HLWVKFLSXUBBCC-UHFFFAOYSA-N -1 0 364.427 -0.094 20 0 FBADRM O=C([O-])c1cccc(CCNS(=O)(=O)C2CCS(=O)(=O)CC2)n1 ZINC001321182878 848604732 /nfs/dbraw/zinc/60/47/32/848604732.db2.gz DOTFJBRQYQCAPN-UHFFFAOYSA-N -1 0 362.429 -0.181 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCc1nc2ccccc2oc1=O ZINC001321204258 848607624 /nfs/dbraw/zinc/60/76/24/848607624.db2.gz LTCHSJOKUCAREJ-UHFFFAOYSA-N -1 0 367.383 -0.297 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)cc1C(=O)N(C)C ZINC001321215831 848608167 /nfs/dbraw/zinc/60/81/67/848608167.db2.gz YXGSLYJSNRNRLS-UHFFFAOYSA-N -1 0 370.387 -0.516 20 0 FBADRM CSC[C@@H](C)C(=O)N1CCC(C(=O)[N-]S(=O)(=O)CC(N)=O)CC1 ZINC001321218242 848609114 /nfs/dbraw/zinc/60/91/14/848609114.db2.gz NQICCGPRTBFXMJ-SECBINFHSA-N -1 0 365.477 -0.845 20 0 FBADRM CSC[C@H](C)C(=O)N1CCC(C(=O)[N-]S(=O)(=O)CC(N)=O)CC1 ZINC001321218243 848609473 /nfs/dbraw/zinc/60/94/73/848609473.db2.gz NQICCGPRTBFXMJ-VIFPVBQESA-N -1 0 365.477 -0.845 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)CN1CCSC1=O ZINC001321227196 848610395 /nfs/dbraw/zinc/61/03/95/848610395.db2.gz JMWNCZUIQIBVTO-UHFFFAOYSA-N -1 0 365.414 -0.097 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC001321246280 848611282 /nfs/dbraw/zinc/61/12/82/848611282.db2.gz KZUPQGVHWICJLG-UHFFFAOYSA-N -1 0 356.404 -0.554 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(S(C)(=O)=O)ccc1F ZINC001321247970 848612229 /nfs/dbraw/zinc/61/22/29/848612229.db2.gz YTTHKHIAJAURMS-UHFFFAOYSA-N -1 0 366.392 -0.575 20 0 FBADRM CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)n1 ZINC001321254193 848612288 /nfs/dbraw/zinc/61/22/88/848612288.db2.gz JTHKRHAUIOKBFL-UHFFFAOYSA-N -1 0 354.392 -0.791 20 0 FBADRM CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC)n1 ZINC001321262939 848613619 /nfs/dbraw/zinc/61/36/19/848613619.db2.gz OBTHXZRSJRQRHF-BDAKNGLRSA-N -1 0 357.388 -0.302 20 0 FBADRM CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC)n1 ZINC001321262940 848613665 /nfs/dbraw/zinc/61/36/65/848613665.db2.gz OBTHXZRSJRQRHF-DTWKUNHWSA-N -1 0 357.388 -0.302 20 0 FBADRM CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC)n1 ZINC001321262941 848613296 /nfs/dbraw/zinc/61/32/96/848613296.db2.gz OBTHXZRSJRQRHF-IUCAKERBSA-N -1 0 357.388 -0.302 20 0 FBADRM CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC)n1 ZINC001321262942 848613279 /nfs/dbraw/zinc/61/32/79/848613279.db2.gz OBTHXZRSJRQRHF-RKDXNWHRSA-N -1 0 357.388 -0.302 20 0 FBADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1nc2ncccn2n1 ZINC001321263744 848613589 /nfs/dbraw/zinc/61/35/89/848613589.db2.gz SZEQGGCENYIPTC-BDAKNGLRSA-N -1 0 355.376 -0.690 20 0 FBADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1nc2ncccn2n1 ZINC001321263747 848613216 /nfs/dbraw/zinc/61/32/16/848613216.db2.gz SZEQGGCENYIPTC-DTWKUNHWSA-N -1 0 355.376 -0.690 20 0 FBADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1nc2ncccn2n1 ZINC001321263749 848613288 /nfs/dbraw/zinc/61/32/88/848613288.db2.gz SZEQGGCENYIPTC-IUCAKERBSA-N -1 0 355.376 -0.690 20 0 FBADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1nc2ncccn2n1 ZINC001321263751 848613377 /nfs/dbraw/zinc/61/33/77/848613377.db2.gz SZEQGGCENYIPTC-RKDXNWHRSA-N -1 0 355.376 -0.690 20 0 FBADRM CS(=O)(=O)N1CCC(NC(=O)N[C@@H](C(=O)[O-])C2CCOCC2)CC1 ZINC001321268617 848614468 /nfs/dbraw/zinc/61/44/68/848614468.db2.gz UCHAGMVVPQAYJI-GFCCVEGCSA-N -1 0 363.436 -0.411 20 0 FBADRM CS(=O)(=O)N1CCC(NC(=O)N[C@H](C(=O)[O-])C2CCOCC2)CC1 ZINC001321268623 848614321 /nfs/dbraw/zinc/61/43/21/848614321.db2.gz UCHAGMVVPQAYJI-LBPRGKRZSA-N -1 0 363.436 -0.411 20 0 FBADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC001321296155 848616340 /nfs/dbraw/zinc/61/63/40/848616340.db2.gz FXWZBCHAHGOUJF-UHFFFAOYSA-N -1 0 360.392 -0.896 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CC(=O)Nc1ccn(C)n1 ZINC001321296700 848616423 /nfs/dbraw/zinc/61/64/23/848616423.db2.gz FFFJIANEXQEGEH-UHFFFAOYSA-N -1 0 359.389 -0.420 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2nnc(CC(F)(F)F)o2)c(=O)n(C)c1=O ZINC001321297033 848616671 /nfs/dbraw/zinc/61/66/71/848616671.db2.gz WOKXHOLNXXKZLH-UHFFFAOYSA-N -1 0 369.281 -0.627 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC001321300906 848616778 /nfs/dbraw/zinc/61/67/78/848616778.db2.gz MRUBYFOJZBGIRM-UHFFFAOYSA-N -1 0 364.449 -0.352 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)c2c[n-]n3c2nccc3=O)cc1 ZINC001321303892 848617471 /nfs/dbraw/zinc/61/74/71/848617471.db2.gz NDKWDUSOBJKHFV-UHFFFAOYSA-N -1 0 361.383 -0.358 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@@H](OC)c2cnn(C)c2)c(C)nn1C ZINC001321316642 848618598 /nfs/dbraw/zinc/61/85/98/848618598.db2.gz CBMQQRGKRDFTPY-JTQLQIEISA-N -1 0 357.392 -0.337 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@H](OC)c2cnn(C)c2)c(C)nn1C ZINC001321316643 848618913 /nfs/dbraw/zinc/61/89/13/848618913.db2.gz CBMQQRGKRDFTPY-SNVBAGLBSA-N -1 0 357.392 -0.337 20 0 FBADRM Cc1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc1C(=O)N(C)C(C)C ZINC001321359658 848623395 /nfs/dbraw/zinc/62/33/95/848623395.db2.gz LYDQMJXRCWPLPR-UHFFFAOYSA-N -1 0 350.375 -0.053 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)CCc1ccnn1C ZINC001321362052 848623950 /nfs/dbraw/zinc/62/39/50/848623950.db2.gz XIGKQEMSWUUPPI-UHFFFAOYSA-N -1 0 365.415 -0.045 20 0 FBADRM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C2=O)cc1 ZINC001321365869 848624421 /nfs/dbraw/zinc/62/44/21/848624421.db2.gz BCJOARILJXKBDD-GFCCVEGCSA-N -1 0 353.400 -0.328 20 0 FBADRM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C2=O)cc1 ZINC001321365872 848624003 /nfs/dbraw/zinc/62/40/03/848624003.db2.gz BCJOARILJXKBDD-LBPRGKRZSA-N -1 0 353.400 -0.328 20 0 FBADRM O=C(CN1CCN(c2ccccn2)CC1)[N-]S(=O)(=O)C1CCOCC1 ZINC001321366308 848624311 /nfs/dbraw/zinc/62/43/11/848624311.db2.gz JMXZRYVWZVSPNZ-UHFFFAOYSA-N -1 0 368.459 -0.171 20 0 FBADRM CNS(=O)(=O)c1ccc(CC(=O)N(C)C[C@H](C)c2nnn[n-]2)cc1 ZINC001321366309 848624189 /nfs/dbraw/zinc/62/41/89/848624189.db2.gz JPCQLRHZNPQOCN-JTQLQIEISA-N -1 0 352.420 -0.088 20 0 FBADRM CNS(=O)(=O)c1ccc(CC(=O)N(C)C[C@@H](C)c2nnn[n-]2)cc1 ZINC001321366310 848624236 /nfs/dbraw/zinc/62/42/36/848624236.db2.gz JPCQLRHZNPQOCN-SNVBAGLBSA-N -1 0 352.420 -0.088 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC001321366770 848623904 /nfs/dbraw/zinc/62/39/04/848623904.db2.gz ODAXTNRAILJJGG-UHFFFAOYSA-N -1 0 355.376 -0.650 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)n[n-]1 ZINC001321368212 848624440 /nfs/dbraw/zinc/62/44/40/848624440.db2.gz BLWDORBUNSKKEV-SECBINFHSA-N -1 0 364.387 -0.410 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)n[n-]1 ZINC001321368214 848624324 /nfs/dbraw/zinc/62/43/24/848624324.db2.gz BLWDORBUNSKKEV-VIFPVBQESA-N -1 0 364.387 -0.410 20 0 FBADRM CNC(=O)c1cncc(/C=C\C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC001321383961 848627286 /nfs/dbraw/zinc/62/72/86/848627286.db2.gz GXPCQLZRCUWCCN-ARJAWSKDSA-N -1 0 354.388 -0.964 20 0 FBADRM CNC(=O)c1cncc(/C=C/C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC001321383963 848627167 /nfs/dbraw/zinc/62/71/67/848627167.db2.gz GXPCQLZRCUWCCN-ONEGZZNKSA-N -1 0 354.388 -0.964 20 0 FBADRM Cc1nn(CC(F)(F)F)cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001321385262 848626963 /nfs/dbraw/zinc/62/69/63/848626963.db2.gz PPGAZXVZCAVRMP-UHFFFAOYSA-N -1 0 356.326 -0.050 20 0 FBADRM Cc1c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cnn1C1CCOCC1 ZINC001321385570 848627095 /nfs/dbraw/zinc/62/70/95/848627095.db2.gz UJJOFYLKOBPOJP-UHFFFAOYSA-N -1 0 358.420 -0.261 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC[S@]1=O ZINC001321386671 848627147 /nfs/dbraw/zinc/62/71/47/848627147.db2.gz SNKYYKRBBSMQLM-OTHYDSGKSA-N -1 0 372.428 -0.032 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC[S@@]1=O ZINC001321386672 848626949 /nfs/dbraw/zinc/62/69/49/848626949.db2.gz SNKYYKRBBSMQLM-MEFFNOMFSA-N -1 0 372.428 -0.032 20 0 FBADRM C[C@@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC[S@]1=O ZINC001321386673 848627138 /nfs/dbraw/zinc/62/71/38/848627138.db2.gz SNKYYKRBBSMQLM-JRSYYBBYSA-N -1 0 372.428 -0.032 20 0 FBADRM C[C@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC[S@@]1=O ZINC001321386674 848627301 /nfs/dbraw/zinc/62/73/01/848627301.db2.gz SNKYYKRBBSMQLM-FHOATMSYSA-N -1 0 372.428 -0.032 20 0 FBADRM O=C(CSc1nnnn1CC(F)(F)F)NCCc1nc(=O)o[n-]1 ZINC001321425407 848631996 /nfs/dbraw/zinc/63/19/96/848631996.db2.gz CFCWILQDQKSRTF-UHFFFAOYSA-N -1 0 353.286 -0.637 20 0 FBADRM COc1cc(F)cc(F)c1S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC001321448686 848634063 /nfs/dbraw/zinc/63/40/63/848634063.db2.gz UWHZACKDTPRHDE-MRVPVSSYSA-N -1 0 352.315 -0.030 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC001321453362 848633557 /nfs/dbraw/zinc/63/35/57/848633557.db2.gz DBPGNWKSRRPNIB-UHFFFAOYSA-N -1 0 361.449 -0.325 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])cc1OC ZINC001321453370 848633864 /nfs/dbraw/zinc/63/38/64/848633864.db2.gz DTEWBGFKMAMYQH-GFCCVEGCSA-N -1 0 374.415 -0.233 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])cc1OC ZINC001321453371 848633708 /nfs/dbraw/zinc/63/37/08/848633708.db2.gz DTEWBGFKMAMYQH-LBPRGKRZSA-N -1 0 374.415 -0.233 20 0 FBADRM COCCc1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])cc1 ZINC001321453636 848634792 /nfs/dbraw/zinc/63/47/92/848634792.db2.gz HGYLYEQOFIPEPA-HNNXBMFYSA-N -1 0 372.443 -0.061 20 0 FBADRM COCCc1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])cc1 ZINC001321453637 848634734 /nfs/dbraw/zinc/63/47/34/848634734.db2.gz HGYLYEQOFIPEPA-OAHLLOKOSA-N -1 0 372.443 -0.061 20 0 FBADRM CS(=O)(=O)Cc1ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])cc1 ZINC001321454201 848634878 /nfs/dbraw/zinc/63/48/78/848634878.db2.gz NOBAZMFHWBLECU-UHFFFAOYSA-N -1 0 365.429 -0.311 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])cn1 ZINC001321454279 848634803 /nfs/dbraw/zinc/63/48/03/848634803.db2.gz QJRPUGLUEXPVFH-MGUXCZDKSA-N -1 0 362.385 -0.926 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])cn1 ZINC001321454280 848634902 /nfs/dbraw/zinc/63/49/02/848634902.db2.gz QJRPUGLUEXPVFH-MLMJSJRWSA-N -1 0 362.385 -0.926 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])cn1 ZINC001321454281 848634908 /nfs/dbraw/zinc/63/49/08/848634908.db2.gz QJRPUGLUEXPVFH-STFLBKPXSA-N -1 0 362.385 -0.926 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])cn1 ZINC001321454282 848634835 /nfs/dbraw/zinc/63/48/35/848634835.db2.gz QJRPUGLUEXPVFH-ZQJOYCHOSA-N -1 0 362.385 -0.926 20 0 FBADRM CN(C)C(=O)c1cccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])c1 ZINC001321454539 848634916 /nfs/dbraw/zinc/63/49/16/848634916.db2.gz REKXDRRSBNJWLR-DAOPMYJZSA-N -1 0 374.440 -0.405 20 0 FBADRM CN(C)C(=O)c1cccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])c1 ZINC001321454541 848634600 /nfs/dbraw/zinc/63/46/00/848634600.db2.gz REKXDRRSBNJWLR-MYODQAERSA-N -1 0 374.440 -0.405 20 0 FBADRM CN(C)C(=O)c1cccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])c1 ZINC001321454543 848634611 /nfs/dbraw/zinc/63/46/11/848634611.db2.gz REKXDRRSBNJWLR-SFDCACGMSA-N -1 0 374.440 -0.405 20 0 FBADRM CN(C)C(=O)c1cccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])c1 ZINC001321454545 848634808 /nfs/dbraw/zinc/63/48/08/848634808.db2.gz REKXDRRSBNJWLR-SPSFWMDKSA-N -1 0 374.440 -0.405 20 0 FBADRM CCCS(=O)(=O)NC1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001321454619 848634708 /nfs/dbraw/zinc/63/47/08/848634708.db2.gz SOINJTXLUBRYMO-UHFFFAOYSA-N -1 0 363.465 -0.077 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](CCC(=O)[O-])CN1CCOCC1 ZINC001321454641 848634812 /nfs/dbraw/zinc/63/48/12/848634812.db2.gz SUMDHPFWOHQIEW-CYBMUJFWSA-N -1 0 374.463 -0.119 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](CCC(=O)[O-])CN1CCOCC1 ZINC001321454644 848634702 /nfs/dbraw/zinc/63/47/02/848634702.db2.gz SUMDHPFWOHQIEW-ZDUSSCGKSA-N -1 0 374.463 -0.119 20 0 FBADRM COCc1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])cc1 ZINC001321455272 848634621 /nfs/dbraw/zinc/63/46/21/848634621.db2.gz WVTUCTIRIHZYLS-AWEZNQCLSA-N -1 0 358.416 -0.103 20 0 FBADRM COCc1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])cc1 ZINC001321455273 848634595 /nfs/dbraw/zinc/63/45/95/848634595.db2.gz WVTUCTIRIHZYLS-CQSZACIVSA-N -1 0 358.416 -0.103 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)CCn2ccnn2)s1 ZINC001321460417 848634673 /nfs/dbraw/zinc/63/46/73/848634673.db2.gz GNYXRFLZXUZWES-UHFFFAOYSA-N -1 0 371.444 -0.087 20 0 FBADRM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCn2ccnn2)cc1 ZINC001321462873 848635641 /nfs/dbraw/zinc/63/56/41/848635641.db2.gz NYGGLXDVZHEAAF-UHFFFAOYSA-N -1 0 351.388 -0.125 20 0 FBADRM COCCO[C@H]1COCC[C@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001321463282 848635529 /nfs/dbraw/zinc/63/55/29/848635529.db2.gz MSZITNMEBNIXDW-NEPJUHHUSA-N -1 0 351.363 -0.992 20 0 FBADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001321463284 848635629 /nfs/dbraw/zinc/63/56/29/848635629.db2.gz MSZITNMEBNIXDW-NWDGAFQWSA-N -1 0 351.363 -0.992 20 0 FBADRM COCCO[C@H]1COCC[C@@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001321463286 848635623 /nfs/dbraw/zinc/63/56/23/848635623.db2.gz MSZITNMEBNIXDW-RYUDHWBXSA-N -1 0 351.363 -0.992 20 0 FBADRM COCCO[C@@H]1COCC[C@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001321463288 848635658 /nfs/dbraw/zinc/63/56/58/848635658.db2.gz MSZITNMEBNIXDW-VXGBXAGGSA-N -1 0 351.363 -0.992 20 0 FBADRM O=C([O-])CCN1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)CC1 ZINC001321477130 848636440 /nfs/dbraw/zinc/63/64/40/848636440.db2.gz IPKZIYGNRHVKQC-UHFFFAOYSA-N -1 0 352.363 -0.071 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)CCC(=O)N2CCOCC2)c(C)nn1C ZINC001321493058 848638689 /nfs/dbraw/zinc/63/86/89/848638689.db2.gz PZGIETKASKHOBB-UHFFFAOYSA-N -1 0 374.419 -0.819 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC001321561864 848646096 /nfs/dbraw/zinc/64/60/96/848646096.db2.gz CKMYVKCZHCGGMX-JTQLQIEISA-N -1 0 354.450 -0.860 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001321561865 848646036 /nfs/dbraw/zinc/64/60/36/848646036.db2.gz CKMYVKCZHCGGMX-SNVBAGLBSA-N -1 0 354.450 -0.860 20 0 FBADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC001321565841 848646707 /nfs/dbraw/zinc/64/67/07/848646707.db2.gz CVGDKDZRAPRMEO-UHFFFAOYSA-N -1 0 365.371 -0.017 20 0 FBADRM CO[N-]C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 ZINC001321566474 848646627 /nfs/dbraw/zinc/64/66/27/848646627.db2.gz VOQIUGNWQLNHBA-LLVKDONJSA-N -1 0 350.418 -0.554 20 0 FBADRM CO[N-]C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 ZINC001321566475 848647137 /nfs/dbraw/zinc/64/71/37/848647137.db2.gz VOQIUGNWQLNHBA-NSHDSACASA-N -1 0 350.418 -0.554 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)CN(C)C(C)=O)s1 ZINC001321566528 848646799 /nfs/dbraw/zinc/64/67/99/848646799.db2.gz NTSNRRMWIJKTFH-UHFFFAOYSA-N -1 0 361.445 -0.290 20 0 FBADRM CS(=O)(=O)N1CCC(NC(=O)C(=O)[N-]OCCC(F)(F)F)CC1 ZINC001321567295 848646993 /nfs/dbraw/zinc/64/69/93/848646993.db2.gz BRLPOQHTAQITQT-UHFFFAOYSA-N -1 0 361.342 -0.473 20 0 FBADRM CSCCO[N-]C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001321569278 848648130 /nfs/dbraw/zinc/64/81/30/848648130.db2.gz MTUWJRZFVKVPTF-UHFFFAOYSA-N -1 0 357.436 -0.435 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC001321570685 848647754 /nfs/dbraw/zinc/64/77/54/848647754.db2.gz ZHXGLUBXNBOBOI-UHFFFAOYSA-N -1 0 372.403 -0.501 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)c1 ZINC001321576382 848648892 /nfs/dbraw/zinc/64/88/92/848648892.db2.gz YLKICZQKVUCTDE-GFCCVEGCSA-N -1 0 371.415 -0.705 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)c1 ZINC001321576383 848648861 /nfs/dbraw/zinc/64/88/61/848648861.db2.gz YLKICZQKVUCTDE-LBPRGKRZSA-N -1 0 371.415 -0.705 20 0 FBADRM CS(=O)(=O)N1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1 ZINC001321583565 848649521 /nfs/dbraw/zinc/64/95/21/848649521.db2.gz RLEFYRUURDJVPU-UHFFFAOYSA-N -1 0 363.436 -0.314 20 0 FBADRM COCCOc1ncccc1CNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001321587229 848649472 /nfs/dbraw/zinc/64/94/72/848649472.db2.gz BABKBBKHXCZIGA-GFCCVEGCSA-N -1 0 353.375 -0.193 20 0 FBADRM COCCOc1ncccc1CNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001321587231 848649889 /nfs/dbraw/zinc/64/98/89/848649889.db2.gz BABKBBKHXCZIGA-LBPRGKRZSA-N -1 0 353.375 -0.193 20 0 FBADRM COCCOc1ncccc1CNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001321587324 848649641 /nfs/dbraw/zinc/64/96/41/848649641.db2.gz CSVANELXIJYKDC-UHFFFAOYSA-N -1 0 353.375 -0.050 20 0 FBADRM CCN(C1CCCCC1)S(=O)(=O)[N-]C(=O)Cn1ccc(=O)n(C)c1=O ZINC001321602362 848652584 /nfs/dbraw/zinc/65/25/84/848652584.db2.gz KEXVLPNQYUWZDV-UHFFFAOYSA-N -1 0 372.447 -0.437 20 0 FBADRM CN(C)C(=O)CNC(=O)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC001321615084 848654388 /nfs/dbraw/zinc/65/43/88/848654388.db2.gz KVPUYQRLTFASKQ-UHFFFAOYSA-N -1 0 351.388 -0.440 20 0 FBADRM C[C@@H](NC(=O)c1cccs1)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001321620054 848655450 /nfs/dbraw/zinc/65/54/50/848655450.db2.gz XVBOKHQCJYMDDT-SECBINFHSA-N -1 0 350.404 -0.110 20 0 FBADRM C[C@H](NC(=O)c1cccs1)C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001321620056 848655136 /nfs/dbraw/zinc/65/51/36/848655136.db2.gz XVBOKHQCJYMDDT-VIFPVBQESA-N -1 0 350.404 -0.110 20 0 FBADRM Cc1cc(C([O-])=CS(=O)(=O)c2nnc(C)n2CC(N)=O)c(C)n1C ZINC001321634774 848656958 /nfs/dbraw/zinc/65/69/58/848656958.db2.gz NWKISPVRLBIIDF-UHFFFAOYSA-N -1 0 353.404 -0.316 20 0 FBADRM CCN1CCN(C(=O)CC2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001321640872 848657673 /nfs/dbraw/zinc/65/76/73/848657673.db2.gz VXAFQIZOUJDADK-UHFFFAOYSA-N -1 0 350.423 -0.083 20 0 FBADRM CN(CC(N)=O)C(=O)c1cccc([N-]S(=O)(=O)c2cnn(C)c2)c1 ZINC001321651705 848661058 /nfs/dbraw/zinc/66/10/58/848661058.db2.gz RYILWZJKGLVVJL-UHFFFAOYSA-N -1 0 351.388 -0.222 20 0 FBADRM O=C([O-])c1cnc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cn1 ZINC001321658003 848661750 /nfs/dbraw/zinc/66/17/50/848661750.db2.gz MBIZHFRTWXFTIO-GHMZBOCLSA-N -1 0 369.399 -0.017 20 0 FBADRM O=C([O-])c1cnc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cn1 ZINC001321658004 848661437 /nfs/dbraw/zinc/66/14/37/848661437.db2.gz MBIZHFRTWXFTIO-MNOVXSKESA-N -1 0 369.399 -0.017 20 0 FBADRM O=C([O-])c1cnc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cn1 ZINC001321658006 848661312 /nfs/dbraw/zinc/66/13/12/848661312.db2.gz MBIZHFRTWXFTIO-QWRGUYRKSA-N -1 0 369.399 -0.017 20 0 FBADRM O=C([O-])c1cnc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cn1 ZINC001321658008 848661484 /nfs/dbraw/zinc/66/14/84/848661484.db2.gz MBIZHFRTWXFTIO-WDEREUQCSA-N -1 0 369.399 -0.017 20 0 FBADRM CNC(=O)CCCNC(=O)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC001321675290 848664753 /nfs/dbraw/zinc/66/47/53/848664753.db2.gz NINDZSMEICIDPK-UHFFFAOYSA-N -1 0 365.415 -0.002 20 0 FBADRM CN(C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001321684630 848665948 /nfs/dbraw/zinc/66/59/48/848665948.db2.gz DTHVQSHRBHSRDG-JTQLQIEISA-N -1 0 359.404 -0.079 20 0 FBADRM CN(C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001321684633 848666098 /nfs/dbraw/zinc/66/60/98/848666098.db2.gz DTHVQSHRBHSRDG-SNVBAGLBSA-N -1 0 359.404 -0.079 20 0 FBADRM C[C@H](c1cccc(NC(=O)C(=O)[N-]OCC(N)=O)c1)N1CCOCC1 ZINC001321690346 848668165 /nfs/dbraw/zinc/66/81/65/848668165.db2.gz VYVMRWRLUFQUBA-LLVKDONJSA-N -1 0 350.375 -0.449 20 0 FBADRM C[C@@H](c1cccc(NC(=O)C(=O)[N-]OCC(N)=O)c1)N1CCOCC1 ZINC001321690347 848667776 /nfs/dbraw/zinc/66/77/76/848667776.db2.gz VYVMRWRLUFQUBA-NSHDSACASA-N -1 0 350.375 -0.449 20 0 FBADRM CN(CC(N)=O)C(=O)c1cccc([N-]S(=O)(=O)c2ccnn2C)c1 ZINC001321699665 848669053 /nfs/dbraw/zinc/66/90/53/848669053.db2.gz ZZMGSPBMYYZQPA-UHFFFAOYSA-N -1 0 351.388 -0.222 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cn1cc(C(F)(F)F)ccc1=O ZINC001321700247 848669988 /nfs/dbraw/zinc/66/99/88/848669988.db2.gz DKFRGYLNEBFVAL-UHFFFAOYSA-N -1 0 369.321 -0.551 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc(N2C(=O)CCC2=O)c1 ZINC001321700702 848669959 /nfs/dbraw/zinc/66/99/59/848669959.db2.gz IJJXABSCHHAKJX-UHFFFAOYSA-N -1 0 367.383 -0.464 20 0 FBADRM Cn1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(-c2cccnc2)n1 ZINC001321701206 848669887 /nfs/dbraw/zinc/66/98/87/848669887.db2.gz NBGPYDCUBIATIN-UHFFFAOYSA-N -1 0 351.388 -0.322 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc(N2CCNC2=O)c1 ZINC001321702463 848669869 /nfs/dbraw/zinc/66/98/69/848669869.db2.gz ZEHNSPSNIGABPC-UHFFFAOYSA-N -1 0 354.388 -0.588 20 0 FBADRM CN(C(=O)NC[C@@H](Cc1cnn(C)c1)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001321732684 848673136 /nfs/dbraw/zinc/67/31/36/848673136.db2.gz FXIDHGRROAWRTN-NEPJUHHUSA-N -1 0 358.420 -0.508 20 0 FBADRM CN(C(=O)NC[C@H](Cc1cnn(C)c1)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001321732685 848673166 /nfs/dbraw/zinc/67/31/66/848673166.db2.gz FXIDHGRROAWRTN-NWDGAFQWSA-N -1 0 358.420 -0.508 20 0 FBADRM CN(C(=O)NC[C@H](Cc1cnn(C)c1)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001321732686 848672940 /nfs/dbraw/zinc/67/29/40/848672940.db2.gz FXIDHGRROAWRTN-RYUDHWBXSA-N -1 0 358.420 -0.508 20 0 FBADRM CN(C(=O)NC[C@@H](Cc1cnn(C)c1)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001321732687 848673128 /nfs/dbraw/zinc/67/31/28/848673128.db2.gz FXIDHGRROAWRTN-VXGBXAGGSA-N -1 0 358.420 -0.508 20 0 FBADRM C[C@@H](Sc1ccccc1C(=O)NCCC(=O)[N-]S(C)(=O)=O)C(N)=O ZINC001321739694 848674016 /nfs/dbraw/zinc/67/40/16/848674016.db2.gz WSIAVXBZHLMDIZ-SECBINFHSA-N -1 0 373.456 -0.152 20 0 FBADRM C[C@H](Sc1ccccc1C(=O)NCCC(=O)[N-]S(C)(=O)=O)C(N)=O ZINC001321739696 848673953 /nfs/dbraw/zinc/67/39/53/848673953.db2.gz WSIAVXBZHLMDIZ-VIFPVBQESA-N -1 0 373.456 -0.152 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC001321744260 848675008 /nfs/dbraw/zinc/67/50/08/848675008.db2.gz PYONBJOBVSBHRC-UHFFFAOYSA-N -1 0 362.433 -0.813 20 0 FBADRM CCn1c(=O)c2ccccc2n(CC(=O)[N-]S(=O)(=O)C(F)F)c1=O ZINC001321747311 848674997 /nfs/dbraw/zinc/67/49/97/848674997.db2.gz LDCJDKBZHVRYRX-UHFFFAOYSA-N -1 0 361.326 -0.148 20 0 FBADRM Cn1nccc1COCC(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1 ZINC001321747511 848675057 /nfs/dbraw/zinc/67/50/57/848675057.db2.gz IZGCZFBNBFCGKV-UHFFFAOYSA-N -1 0 364.387 -0.277 20 0 FBADRM Cn1nccc1COCC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC001321748015 848674685 /nfs/dbraw/zinc/67/46/85/848674685.db2.gz QOBNRIFNBMWZEB-UHFFFAOYSA-N -1 0 352.372 -0.459 20 0 FBADRM O=C([N-]S(=O)(=O)C(F)F)C1CCN(c2ccc3nnnn3n2)CC1 ZINC001321748338 848675854 /nfs/dbraw/zinc/67/58/54/848675854.db2.gz XKPCBKQTUBUVOH-UHFFFAOYSA-N -1 0 361.334 -0.596 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCCC3)cn1 ZINC001321748386 848675662 /nfs/dbraw/zinc/67/56/62/848675662.db2.gz ZWGJAVYRNUFTBC-UHFFFAOYSA-N -1 0 354.392 -0.990 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)Cc2ccccn2)CC1 ZINC001321748446 848675796 /nfs/dbraw/zinc/67/57/96/848675796.db2.gz VPWZPDNVUAFFCI-UHFFFAOYSA-N -1 0 361.445 -0.301 20 0 FBADRM COc1c(C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)cc2)c(C)nn1C ZINC001321768211 848677543 /nfs/dbraw/zinc/67/75/43/848677543.db2.gz KBBREJCIXREBEK-UHFFFAOYSA-N -1 0 352.372 -0.045 20 0 FBADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001321773592 848678003 /nfs/dbraw/zinc/67/80/03/848678003.db2.gz PEMPAFDIPCLNAT-UHFFFAOYSA-N -1 0 363.355 -0.224 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)CCn1ccnn1 ZINC001321777468 848678209 /nfs/dbraw/zinc/67/82/09/848678209.db2.gz CZFUGRWFIIJVPB-UHFFFAOYSA-N -1 0 352.376 -0.730 20 0 FBADRM NC(=O)CCOc1ccc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cc1 ZINC001321782578 848679038 /nfs/dbraw/zinc/67/90/38/848679038.db2.gz UBDHPULEUMKOIL-LLVKDONJSA-N -1 0 351.359 -0.036 20 0 FBADRM NC(=O)CCOc1ccc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)cc1 ZINC001321782579 848679020 /nfs/dbraw/zinc/67/90/20/848679020.db2.gz UBDHPULEUMKOIL-NSHDSACASA-N -1 0 351.359 -0.036 20 0 FBADRM CS(=O)(=O)N1CCC(NC(=O)C(=O)[N-]OCc2ccccc2)CC1 ZINC001321795182 848680376 /nfs/dbraw/zinc/68/03/76/848680376.db2.gz MUIGZPZHVJZHTB-UHFFFAOYSA-N -1 0 355.416 -0.225 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)c2cccnc2N2CCOCC2)n[n-]1 ZINC001321802034 848681209 /nfs/dbraw/zinc/68/12/09/848681209.db2.gz VYGYWGDBQMDZOD-UHFFFAOYSA-N -1 0 352.376 -0.308 20 0 FBADRM CC(=O)N1CCc2ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc2CC1 ZINC001321816120 848683132 /nfs/dbraw/zinc/68/31/32/848683132.db2.gz QUZCNXASPIMHDN-AWEZNQCLSA-N -1 0 356.400 -0.643 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)N3CCC(O)(C(N)=O)CC3)cc2[n-]c1=S ZINC001321823802 848684170 /nfs/dbraw/zinc/68/41/70/848684170.db2.gz AZIXLICVWHGWJS-UHFFFAOYSA-N -1 0 362.411 -0.325 20 0 FBADRM COC(=O)c1cnc(S(=O)(=O)Cc2nnnn2CC(F)(F)F)[n-]1 ZINC001321834003 848685666 /nfs/dbraw/zinc/68/56/66/848685666.db2.gz QOHTZQFBPPDKPQ-UHFFFAOYSA-N -1 0 354.270 -0.281 20 0 FBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC001321838930 848686410 /nfs/dbraw/zinc/68/64/10/848686410.db2.gz NTLJDPZLCOXJQH-BBRMVZONSA-N -1 0 373.475 -0.605 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC001321838932 848686632 /nfs/dbraw/zinc/68/66/32/848686632.db2.gz NTLJDPZLCOXJQH-CJNGLKHVSA-N -1 0 373.475 -0.605 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC001321838935 848686448 /nfs/dbraw/zinc/68/64/48/848686448.db2.gz NTLJDPZLCOXJQH-CZUORRHYSA-N -1 0 373.475 -0.605 20 0 FBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC001321838937 848686711 /nfs/dbraw/zinc/68/67/11/848686711.db2.gz NTLJDPZLCOXJQH-XJKSGUPXSA-N -1 0 373.475 -0.605 20 0 FBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)[N-]S(=O)(=O)c1ncccc1F ZINC001321853932 848688224 /nfs/dbraw/zinc/68/82/24/848688224.db2.gz KAFYGAQYHJMSST-UHFFFAOYSA-N -1 0 365.346 -0.087 20 0 FBADRM CC(=O)NC[C@@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)c2C1 ZINC001321856739 848689102 /nfs/dbraw/zinc/68/91/02/848689102.db2.gz KSKXSGOTVBTNQV-NEPJUHHUSA-N -1 0 370.431 -0.570 20 0 FBADRM CC(=O)NC[C@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)c2C1 ZINC001321856741 848688969 /nfs/dbraw/zinc/68/89/69/848688969.db2.gz KSKXSGOTVBTNQV-NWDGAFQWSA-N -1 0 370.431 -0.570 20 0 FBADRM CC(=O)NC[C@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)c2C1 ZINC001321856743 848688852 /nfs/dbraw/zinc/68/88/52/848688852.db2.gz KSKXSGOTVBTNQV-RYUDHWBXSA-N -1 0 370.431 -0.570 20 0 FBADRM CC(=O)NC[C@@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)c2C1 ZINC001321856745 848688894 /nfs/dbraw/zinc/68/88/94/848688894.db2.gz KSKXSGOTVBTNQV-VXGBXAGGSA-N -1 0 370.431 -0.570 20 0 FBADRM O=C([N-]S(=O)(=O)C1CCOCC1)[C@@H]1COCCN1CC(F)(F)F ZINC001321859473 848688941 /nfs/dbraw/zinc/68/89/41/848688941.db2.gz YEZIKYZGQKWGFK-JTQLQIEISA-N -1 0 360.354 -0.126 20 0 FBADRM O=C([N-]S(=O)(=O)C1CCOCC1)[C@H]1COCCN1CC(F)(F)F ZINC001321859474 848688957 /nfs/dbraw/zinc/68/89/57/848688957.db2.gz YEZIKYZGQKWGFK-SNVBAGLBSA-N -1 0 360.354 -0.126 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CO[C@@H]2CCOC2)CC1 ZINC001321861931 848688807 /nfs/dbraw/zinc/68/88/07/848688807.db2.gz MEIYNGRWLHQNSY-LLVKDONJSA-N -1 0 364.420 -0.141 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CO[C@H]2CCOC2)CC1 ZINC001321861933 848688950 /nfs/dbraw/zinc/68/89/50/848688950.db2.gz MEIYNGRWLHQNSY-NSHDSACASA-N -1 0 364.420 -0.141 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cn1 ZINC001321862846 848688963 /nfs/dbraw/zinc/68/89/63/848688963.db2.gz CFLCFVDNRPCPJI-ALCCZGGFSA-N -1 0 364.383 -0.694 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cn1 ZINC001321862847 848688903 /nfs/dbraw/zinc/68/89/03/848688903.db2.gz CFLCFVDNRPCPJI-FNORWQNLSA-N -1 0 364.383 -0.694 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)[N-]OCCC(F)(F)F)C1 ZINC001321876994 848690284 /nfs/dbraw/zinc/69/02/84/848690284.db2.gz CYNMIDRDGDIZGQ-MRVPVSSYSA-N -1 0 361.342 -0.473 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)[N-]OCCC(F)(F)F)C1 ZINC001321876998 848690216 /nfs/dbraw/zinc/69/02/16/848690216.db2.gz CYNMIDRDGDIZGQ-QMMMGPOBSA-N -1 0 361.342 -0.473 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CCc2cn(C)nc2C)CC1 ZINC001321879017 848690966 /nfs/dbraw/zinc/69/09/66/848690966.db2.gz BHYUKJUFZWIOBX-UHFFFAOYSA-N -1 0 372.447 -0.093 20 0 FBADRM CCS(=O)(=O)N1CCC(NC(=O)C(=O)[N-]OCCSC)CC1 ZINC001321891556 848693035 /nfs/dbraw/zinc/69/30/35/848693035.db2.gz VCRSJOUFYCAWCX-UHFFFAOYSA-N -1 0 353.466 -0.673 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 ZINC001321904383 848694831 /nfs/dbraw/zinc/69/48/31/848694831.db2.gz FEHLBOPHQRSPLN-LLVKDONJSA-N -1 0 357.436 -0.492 20 0 FBADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 ZINC001321904384 848694469 /nfs/dbraw/zinc/69/44/69/848694469.db2.gz FEHLBOPHQRSPLN-NSHDSACASA-N -1 0 357.436 -0.492 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 ZINC001321904816 848694875 /nfs/dbraw/zinc/69/48/75/848694875.db2.gz NDGHVYMSAQULNT-GFCCVEGCSA-N -1 0 372.447 -0.322 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 ZINC001321904817 848694699 /nfs/dbraw/zinc/69/46/99/848694699.db2.gz NDGHVYMSAQULNT-LBPRGKRZSA-N -1 0 372.447 -0.322 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC001321905354 848694954 /nfs/dbraw/zinc/69/49/54/848694954.db2.gz RNRLGQOHEWIRCJ-NXEZZACHSA-N -1 0 357.450 -0.550 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC001321905355 848694441 /nfs/dbraw/zinc/69/44/41/848694441.db2.gz RNRLGQOHEWIRCJ-UWVGGRQHSA-N -1 0 357.450 -0.550 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC001321905356 848694881 /nfs/dbraw/zinc/69/48/81/848694881.db2.gz RNRLGQOHEWIRCJ-VHSXEESVSA-N -1 0 357.450 -0.550 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC001321905357 848694500 /nfs/dbraw/zinc/69/45/00/848694500.db2.gz RNRLGQOHEWIRCJ-ZJUUUORDSA-N -1 0 357.450 -0.550 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1)S(=O)(=O)C1CCOCC1 ZINC001321906119 848695857 /nfs/dbraw/zinc/69/58/57/848695857.db2.gz XITVCRUQAIZECB-CMPLNLGQSA-N -1 0 369.461 -0.406 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1)S(=O)(=O)C1CCOCC1 ZINC001321906122 848695310 /nfs/dbraw/zinc/69/53/10/848695310.db2.gz XITVCRUQAIZECB-JQWIXIFHSA-N -1 0 369.461 -0.406 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1)S(=O)(=O)C1CCOCC1 ZINC001321906125 848695511 /nfs/dbraw/zinc/69/55/11/848695511.db2.gz XITVCRUQAIZECB-PWSUYJOCSA-N -1 0 369.461 -0.406 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1)S(=O)(=O)C1CCOCC1 ZINC001321906127 848695323 /nfs/dbraw/zinc/69/53/23/848695323.db2.gz XITVCRUQAIZECB-ZYHUDNBSSA-N -1 0 369.461 -0.406 20 0 FBADRM Cc1ncc(S(=O)(=O)[N-]C(=O)C2CCN(S(C)(=O)=O)CC2)s1 ZINC001321906712 848695870 /nfs/dbraw/zinc/69/58/70/848695870.db2.gz TWMKLXSAOQEKJA-UHFFFAOYSA-N -1 0 367.474 -0.072 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CCc2nnc[nH]2)CC1 ZINC001321914755 848696584 /nfs/dbraw/zinc/69/65/84/848696584.db2.gz JFKFTQODIKOLQJ-UHFFFAOYSA-N -1 0 359.408 -0.196 20 0 FBADRM CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)CO[C@H]1CCOC1 ZINC001321916245 848696547 /nfs/dbraw/zinc/69/65/47/848696547.db2.gz SPDAJWCYAXUVMD-JTQLQIEISA-N -1 0 352.409 -0.237 20 0 FBADRM CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)CO[C@@H]1CCOC1 ZINC001321916249 848696246 /nfs/dbraw/zinc/69/62/46/848696246.db2.gz SPDAJWCYAXUVMD-SNVBAGLBSA-N -1 0 352.409 -0.237 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)CC2OCCCO2)s1 ZINC001321921370 848697110 /nfs/dbraw/zinc/69/71/10/848697110.db2.gz OXWYLAICBOUWSR-UHFFFAOYSA-N -1 0 350.378 -0.546 20 0 FBADRM Cn1nccc1COCC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1 ZINC001321922178 848697448 /nfs/dbraw/zinc/69/74/48/848697448.db2.gz ZDLFVSLKZFYSED-UHFFFAOYSA-N -1 0 358.401 -0.398 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC001321925347 848698040 /nfs/dbraw/zinc/69/80/40/848698040.db2.gz XALWLZXQZDRUSQ-GFCCVEGCSA-N -1 0 371.415 -0.835 20 0 FBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC001321925349 848698102 /nfs/dbraw/zinc/69/81/02/848698102.db2.gz XALWLZXQZDRUSQ-LBPRGKRZSA-N -1 0 371.415 -0.835 20 0 FBADRM Cc1oc(C(=O)[N-]S(=O)(=O)N(C)C)cc1S(=O)(=O)N1CCCC1 ZINC001321929797 848698928 /nfs/dbraw/zinc/69/89/28/848698928.db2.gz WVCNKOZUQAIGOL-UHFFFAOYSA-N -1 0 365.433 -0.091 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001321930064 848699201 /nfs/dbraw/zinc/69/92/01/848699201.db2.gz NRTMQDKVDACGIN-SSDOTTSWSA-N -1 0 374.337 -0.710 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001321930065 848698962 /nfs/dbraw/zinc/69/89/62/848698962.db2.gz NRTMQDKVDACGIN-ZETCQYMHSA-N -1 0 374.337 -0.710 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O ZINC001321931760 848700183 /nfs/dbraw/zinc/70/01/83/848700183.db2.gz RTXJUECSBRBDEC-UHFFFAOYSA-N -1 0 361.445 -0.065 20 0 FBADRM COc1ccc(C(=O)NCCNC(=O)C(=O)[N-]OCCSC)cc1 ZINC001321945076 848702782 /nfs/dbraw/zinc/70/27/82/848702782.db2.gz PNZRJQWQFASKHJ-UHFFFAOYSA-N -1 0 355.416 -0.048 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)cc1 ZINC001321953376 848703372 /nfs/dbraw/zinc/70/33/72/848703372.db2.gz CURLEHIOHQNLCM-BXUZGUMPSA-N -1 0 356.400 -0.128 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)cc1 ZINC001321953377 848703411 /nfs/dbraw/zinc/70/34/11/848703411.db2.gz CURLEHIOHQNLCM-FZMZJTMJSA-N -1 0 356.400 -0.128 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)cc1 ZINC001321953378 848703388 /nfs/dbraw/zinc/70/33/88/848703388.db2.gz CURLEHIOHQNLCM-RISCZKNCSA-N -1 0 356.400 -0.128 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)cc1 ZINC001321953379 848703376 /nfs/dbraw/zinc/70/33/76/848703376.db2.gz CURLEHIOHQNLCM-SMDDNHRTSA-N -1 0 356.400 -0.128 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)NCC2(C(=O)[O-])CCOCC2)s1 ZINC001321954280 848703495 /nfs/dbraw/zinc/70/34/95/848703495.db2.gz RNFHJEQCAJVEGE-UHFFFAOYSA-N -1 0 362.429 -0.064 20 0 FBADRM CS(=O)(=O)Nc1cccc(CNC(=O)C(=O)[N-]OC2CCOCC2)c1 ZINC001321976283 848706493 /nfs/dbraw/zinc/70/64/93/848706493.db2.gz DESUOIOWUVJKTI-UHFFFAOYSA-N -1 0 371.415 -0.099 20 0 FBADRM CCN(CCCNC(=O)C(=O)[N-]OCCC(F)(F)F)S(C)(=O)=O ZINC001321979751 848707423 /nfs/dbraw/zinc/70/74/23/848707423.db2.gz QXGOLOQQMQVTPV-UHFFFAOYSA-N -1 0 363.358 -0.226 20 0 FBADRM CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC001321985204 848708329 /nfs/dbraw/zinc/70/83/29/848708329.db2.gz XBMJILYAINGWOQ-UHFFFAOYSA-N -1 0 351.754 -0.190 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NCCN1C(=O)COc2ccccc21 ZINC001322007050 848712150 /nfs/dbraw/zinc/71/21/50/848712150.db2.gz MKNYVKVJQGZASQ-UHFFFAOYSA-N -1 0 353.400 -0.061 20 0 FBADRM CCOC1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)(N2CCOCC2)C1 ZINC001322028325 848713558 /nfs/dbraw/zinc/71/35/58/848713558.db2.gz HRWBLGJIQWGPOK-UHFFFAOYSA-N -1 0 353.379 -0.718 20 0 FBADRM CC(C)S(=O)(=O)[N-]C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001322069483 848718166 /nfs/dbraw/zinc/71/81/66/848718166.db2.gz NVIXUSQHEPKEFL-SECBINFHSA-N -1 0 365.433 -0.994 20 0 FBADRM CC(C)S(=O)(=O)[N-]C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001322069485 848718084 /nfs/dbraw/zinc/71/80/84/848718084.db2.gz NVIXUSQHEPKEFL-VIFPVBQESA-N -1 0 365.433 -0.994 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1)S(=O)(=O)C1CCOCC1 ZINC001322073345 848718194 /nfs/dbraw/zinc/71/81/94/848718194.db2.gz JPYYNASWAKAJBI-GHMZBOCLSA-N -1 0 369.461 -0.406 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1)S(=O)(=O)C1CCOCC1 ZINC001322073346 848718264 /nfs/dbraw/zinc/71/82/64/848718264.db2.gz JPYYNASWAKAJBI-MNOVXSKESA-N -1 0 369.461 -0.406 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1)S(=O)(=O)C1CCOCC1 ZINC001322073347 848718404 /nfs/dbraw/zinc/71/84/04/848718404.db2.gz JPYYNASWAKAJBI-QWRGUYRKSA-N -1 0 369.461 -0.406 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1)S(=O)(=O)C1CCOCC1 ZINC001322073351 848718156 /nfs/dbraw/zinc/71/81/56/848718156.db2.gz JPYYNASWAKAJBI-WDEREUQCSA-N -1 0 369.461 -0.406 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)CCN1CCCC1=O ZINC001322083249 848718433 /nfs/dbraw/zinc/71/84/33/848718433.db2.gz QNNDNCLGOBVDFP-UHFFFAOYSA-N -1 0 369.399 -0.389 20 0 FBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC001322083672 848718344 /nfs/dbraw/zinc/71/83/44/848718344.db2.gz WLAOWEHPYCRMJI-LLVKDONJSA-N -1 0 368.415 -0.254 20 0 FBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC001322083673 848718517 /nfs/dbraw/zinc/71/85/17/848718517.db2.gz WLAOWEHPYCRMJI-NSHDSACASA-N -1 0 368.415 -0.254 20 0 FBADRM COCCOc1ccc(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cn1 ZINC001322118011 848722832 /nfs/dbraw/zinc/72/28/32/848722832.db2.gz LKQFVXUWTQILAR-CYBMUJFWSA-N -1 0 353.375 -0.193 20 0 FBADRM COCCOc1ccc(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)cn1 ZINC001322118012 848722814 /nfs/dbraw/zinc/72/28/14/848722814.db2.gz LKQFVXUWTQILAR-ZDUSSCGKSA-N -1 0 353.375 -0.193 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2nnc([C@H]3CCCO3)o2)c(=O)n(C)c1=O ZINC001322149856 848724534 /nfs/dbraw/zinc/72/45/34/848724534.db2.gz PENARHQKGBUKEG-SSDOTTSWSA-N -1 0 357.348 -0.881 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]c2nnc([C@@H]3CCCO3)o2)c(=O)n(C)c1=O ZINC001322149858 848724772 /nfs/dbraw/zinc/72/47/72/848724772.db2.gz PENARHQKGBUKEG-ZETCQYMHSA-N -1 0 357.348 -0.881 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCCC2)[N-]S(=O)(=O)CC(F)(F)F ZINC001322168339 848727364 /nfs/dbraw/zinc/72/73/64/848727364.db2.gz SSBGHFXPYCETLI-UHFFFAOYSA-N -1 0 356.326 -0.221 20 0 FBADRM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001322182591 848728130 /nfs/dbraw/zinc/72/81/30/848728130.db2.gz HVKSVDOVHUAYEW-QNSHHTMESA-N -1 0 367.328 -0.207 20 0 FBADRM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001322182592 848728045 /nfs/dbraw/zinc/72/80/45/848728045.db2.gz HVKSVDOVHUAYEW-SFGNSQDASA-N -1 0 367.328 -0.207 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NCCS(=O)(=O)c1ccccc1 ZINC001322182949 848728129 /nfs/dbraw/zinc/72/81/29/848728129.db2.gz HHJWUZNGRJUPFU-GFCCVEGCSA-N -1 0 356.400 -0.339 20 0 FBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NCCS(=O)(=O)c1ccccc1 ZINC001322182950 848728110 /nfs/dbraw/zinc/72/81/10/848728110.db2.gz HHJWUZNGRJUPFU-LBPRGKRZSA-N -1 0 356.400 -0.339 20 0 FBADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccn2)cn1 ZINC001322219353 848731676 /nfs/dbraw/zinc/73/16/76/848731676.db2.gz PPCHAWOVILQNNH-UHFFFAOYSA-N -1 0 374.400 -0.345 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC001322275789 848737689 /nfs/dbraw/zinc/73/76/89/848737689.db2.gz BQIZTCYTZUICMP-SVRRBLITSA-N -1 0 350.374 -0.208 20 0 FBADRM O=C([O-])[C@@H](Cn1cc(Cl)cn1)NC(=O)N1CCS(=O)(=O)CC1 ZINC001322275848 848737414 /nfs/dbraw/zinc/73/74/14/848737414.db2.gz DFGQZYLHFCKBQS-SECBINFHSA-N -1 0 350.784 -0.570 20 0 FBADRM O=C([O-])[C@H](Cn1cc(Cl)cn1)NC(=O)N1CCS(=O)(=O)CC1 ZINC001322275849 848737612 /nfs/dbraw/zinc/73/76/12/848737612.db2.gz DFGQZYLHFCKBQS-VIFPVBQESA-N -1 0 350.784 -0.570 20 0 FBADRM COC1(C(=O)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)CCOCC1 ZINC001322290498 848738300 /nfs/dbraw/zinc/73/83/00/848738300.db2.gz XDQBLFKXXJIZQT-UHFFFAOYSA-N -1 0 364.405 -0.503 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCCC2)[N-]S(=O)(=O)Cc1ccccn1 ZINC001322291859 848739012 /nfs/dbraw/zinc/73/90/12/848739012.db2.gz ZGIQVLDZEVBKRS-UHFFFAOYSA-N -1 0 365.415 -0.188 20 0 FBADRM Cn1cc(CC(=O)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cn1 ZINC001322306923 848739679 /nfs/dbraw/zinc/73/96/79/848739679.db2.gz CLJRUZMNVXZKJI-UHFFFAOYSA-N -1 0 357.413 -0.129 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)CO[C@H]2CCOC2)cc1 ZINC001322322002 848740987 /nfs/dbraw/zinc/74/09/87/848740987.db2.gz CLZUAQSEEGBNMD-JTQLQIEISA-N -1 0 363.413 -0.300 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)CO[C@@H]2CCOC2)cc1 ZINC001322322003 848740964 /nfs/dbraw/zinc/74/09/64/848740964.db2.gz CLZUAQSEEGBNMD-SNVBAGLBSA-N -1 0 363.413 -0.300 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CO[C@H]2CCOC2)s1 ZINC001322323839 848740491 /nfs/dbraw/zinc/74/04/91/848740491.db2.gz RKLGYVLMIUYEBA-JTQLQIEISA-N -1 0 362.429 -0.005 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CO[C@@H]2CCOC2)s1 ZINC001322323840 848740900 /nfs/dbraw/zinc/74/09/00/848740900.db2.gz RKLGYVLMIUYEBA-SNVBAGLBSA-N -1 0 362.429 -0.005 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCCC3)cn1 ZINC001322325409 848740969 /nfs/dbraw/zinc/74/09/69/848740969.db2.gz MWBJKGJHUNYIDL-UHFFFAOYSA-N -1 0 368.419 -0.507 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)Cc2c(C)[nH]c3ccnn3c2=O)cn1 ZINC001322326282 848740701 /nfs/dbraw/zinc/74/07/01/848740701.db2.gz VXDXWJAPFCKMCU-UHFFFAOYSA-N -1 0 364.387 -0.405 20 0 FBADRM COC(=O)c1cnc(S(=O)(=O)CC(=O)NCCCN2CCCC2=O)[n-]1 ZINC001322428854 848746471 /nfs/dbraw/zinc/74/64/71/848746471.db2.gz VNCOOTRZMBENGZ-UHFFFAOYSA-N -1 0 372.403 -0.901 20 0 FBADRM CC(=O)NC[C@@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)C(F)F)c2C1 ZINC001322444157 848747999 /nfs/dbraw/zinc/74/79/99/848747999.db2.gz BLSJALSKBXNKQB-MRVPVSSYSA-N -1 0 350.347 -0.136 20 0 FBADRM CC(=O)NC[C@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)C(F)F)c2C1 ZINC001322444158 848748317 /nfs/dbraw/zinc/74/83/17/848748317.db2.gz BLSJALSKBXNKQB-QMMMGPOBSA-N -1 0 350.347 -0.136 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccccn1)S(=O)(=O)C1CCOCC1 ZINC001322452903 848748839 /nfs/dbraw/zinc/74/88/39/848748839.db2.gz SNYHRFAAYJCSPV-JTQLQIEISA-N -1 0 362.429 -0.131 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccccn1)S(=O)(=O)C1CCOCC1 ZINC001322452904 848749111 /nfs/dbraw/zinc/74/91/11/848749111.db2.gz SNYHRFAAYJCSPV-SNVBAGLBSA-N -1 0 362.429 -0.131 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)CC1 ZINC001322454493 848749191 /nfs/dbraw/zinc/74/91/91/848749191.db2.gz CSTMONURYMHZHT-SWLSCSKDSA-N -1 0 360.432 -0.392 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCCC2)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC001322459531 848749816 /nfs/dbraw/zinc/74/98/16/848749816.db2.gz QQHDFEZLYAVYIZ-GFCCVEGCSA-N -1 0 372.447 -0.356 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCCC2)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC001322459532 848749717 /nfs/dbraw/zinc/74/97/17/848749717.db2.gz QQHDFEZLYAVYIZ-LBPRGKRZSA-N -1 0 372.447 -0.356 20 0 FBADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NCCOCCCO ZINC001322473724 848750961 /nfs/dbraw/zinc/75/09/61/848750961.db2.gz WPBXAFLGZOXBGU-UHFFFAOYSA-N -1 0 352.359 -0.242 20 0 FBADRM CCOC(=O)C1(NS(=O)(=O)CCNS(=O)(=O)CC)CCCC1 ZINC001322485454 848752034 /nfs/dbraw/zinc/75/20/34/848752034.db2.gz YPICLKFHDHHPPC-UHFFFAOYSA-N -1 0 356.466 -0.279 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)CCC(=O)c2cnn(C)c2)c(C)nn1C ZINC001322485605 848752305 /nfs/dbraw/zinc/75/23/05/848752305.db2.gz HYJGFTRFZTUGSU-UHFFFAOYSA-N -1 0 369.403 -0.061 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)cc1 ZINC001322485968 848752148 /nfs/dbraw/zinc/75/21/48/848752148.db2.gz KXQSEVJCPOIOHY-GFCCVEGCSA-N -1 0 353.400 -0.482 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)cc1 ZINC001322485971 848752109 /nfs/dbraw/zinc/75/21/09/848752109.db2.gz KXQSEVJCPOIOHY-LBPRGKRZSA-N -1 0 353.400 -0.482 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)Cc2cnn(C)c2)cc1 ZINC001322486522 848752485 /nfs/dbraw/zinc/75/24/85/848752485.db2.gz PXDMBOXXPKQLKE-UHFFFAOYSA-N -1 0 350.400 -0.032 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H](O)CN1CCCC1=O ZINC001322492364 848753214 /nfs/dbraw/zinc/75/32/14/848753214.db2.gz VBWPVISQASASJU-LLVKDONJSA-N -1 0 355.416 -0.229 20 0 FBADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H](O)CN1CCCC1=O ZINC001322492367 848753233 /nfs/dbraw/zinc/75/32/33/848753233.db2.gz VBWPVISQASASJU-NSHDSACASA-N -1 0 355.416 -0.229 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCNC(=O)C2)c1 ZINC001322495300 848753413 /nfs/dbraw/zinc/75/34/13/848753413.db2.gz ATHUWHLFVUTOLT-UHFFFAOYSA-N -1 0 354.388 -0.412 20 0 FBADRM CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)C1 ZINC001322496417 848753765 /nfs/dbraw/zinc/75/37/65/848753765.db2.gz PUSUJRPDPBPYOU-JTQLQIEISA-N -1 0 356.404 -0.813 20 0 FBADRM CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)C1 ZINC001322496418 848754177 /nfs/dbraw/zinc/75/41/77/848754177.db2.gz PUSUJRPDPBPYOU-SNVBAGLBSA-N -1 0 356.404 -0.813 20 0 FBADRM CN(C)[C@@H](C(=O)Nc1nnc([N-]S(C)(=O)=O)s1)c1cncn1C ZINC001322556198 848761880 /nfs/dbraw/zinc/76/18/80/848761880.db2.gz WITNNINUAQNKQC-MRVPVSSYSA-N -1 0 359.437 -0.116 20 0 FBADRM CN(C)[C@H](C(=O)Nc1nnc([N-]S(C)(=O)=O)s1)c1cncn1C ZINC001322556200 848761821 /nfs/dbraw/zinc/76/18/21/848761821.db2.gz WITNNINUAQNKQC-QMMMGPOBSA-N -1 0 359.437 -0.116 20 0 FBADRM Cc1nn(C)c(-n2cccn2)c1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001322651467 848778166 /nfs/dbraw/zinc/77/81/66/848778166.db2.gz AAUFFUMJZOMJCJ-UHFFFAOYSA-N -1 0 354.392 -0.890 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1csc(S(C)(=O)=O)c1 ZINC001322651489 848778275 /nfs/dbraw/zinc/77/82/75/848778275.db2.gz APDHHILUHNGYIV-UHFFFAOYSA-N -1 0 354.431 -0.653 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc2nnc(C(F)F)n2c1 ZINC001322651785 848778020 /nfs/dbraw/zinc/77/80/20/848778020.db2.gz DPDIBRDPTMFRAW-UHFFFAOYSA-N -1 0 361.330 -0.137 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC001322651810 848778001 /nfs/dbraw/zinc/77/80/01/848778001.db2.gz FFDOALAXISTILA-UHFFFAOYSA-N -1 0 359.448 -0.347 20 0 FBADRM Cn1c(=O)cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c2ccccc21 ZINC001322652740 848778158 /nfs/dbraw/zinc/77/81/58/848778158.db2.gz PVUVTBGMGGEGBC-UHFFFAOYSA-N -1 0 351.384 -0.266 20 0 FBADRM COc1ccccc1CO[N-]C(=O)C(=O)NCC(=O)N1CCOCC1 ZINC001322654756 848778231 /nfs/dbraw/zinc/77/82/31/848778231.db2.gz RUNRAODQTJGVTP-UHFFFAOYSA-N -1 0 351.359 -0.782 20 0 FBADRM Cn1cc(/C=C\C(=O)N(CC(=O)[O-])C2CCOCC2)c(=O)n(C)c1=O ZINC001322666855 848780852 /nfs/dbraw/zinc/78/08/52/848780852.db2.gz UGNCCWXHZPMSGM-ARJAWSKDSA-N -1 0 351.359 -0.811 20 0 FBADRM Cn1cc(/C=C/C(=O)N(CC(=O)[O-])C2CCOCC2)c(=O)n(C)c1=O ZINC001322666858 848781025 /nfs/dbraw/zinc/78/10/25/848781025.db2.gz UGNCCWXHZPMSGM-ONEGZZNKSA-N -1 0 351.359 -0.811 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)Cn1ncc2ccccc2c1=O ZINC001322679406 848782389 /nfs/dbraw/zinc/78/23/89/848782389.db2.gz JNDUWMPARZYHJL-UHFFFAOYSA-N -1 0 369.399 -0.495 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC001322716038 848786796 /nfs/dbraw/zinc/78/67/96/848786796.db2.gz HUCFWLVEABNHCE-BDAKNGLRSA-N -1 0 353.297 -0.650 20 0 FBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001322716039 848787037 /nfs/dbraw/zinc/78/70/37/848787037.db2.gz HUCFWLVEABNHCE-DTWKUNHWSA-N -1 0 353.297 -0.650 20 0 FBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC001322716040 848787030 /nfs/dbraw/zinc/78/70/30/848787030.db2.gz HUCFWLVEABNHCE-IUCAKERBSA-N -1 0 353.297 -0.650 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001322716041 848787000 /nfs/dbraw/zinc/78/70/00/848787000.db2.gz HUCFWLVEABNHCE-RKDXNWHRSA-N -1 0 353.297 -0.650 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC001322740645 848791333 /nfs/dbraw/zinc/79/13/33/848791333.db2.gz OLDRYBKDONMGIO-JTQLQIEISA-N -1 0 360.436 -0.058 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC001322740646 848791166 /nfs/dbraw/zinc/79/11/66/848791166.db2.gz OLDRYBKDONMGIO-SNVBAGLBSA-N -1 0 360.436 -0.058 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC001322741278 848791185 /nfs/dbraw/zinc/79/11/85/848791185.db2.gz UZFNHBICFBOSHD-UHFFFAOYSA-N -1 0 356.408 -0.296 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)COCc2cccnc2)cc1C(N)=O ZINC001322743052 848790882 /nfs/dbraw/zinc/79/08/82/848790882.db2.gz UWOYFIZIPGFNDD-UHFFFAOYSA-N -1 0 352.372 -0.459 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCn2ccnn2)cc1 ZINC001322746137 848792250 /nfs/dbraw/zinc/79/22/50/848792250.db2.gz IYOZFBPLEFCTJS-UHFFFAOYSA-N -1 0 358.401 -0.423 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N(C)CCC(N)=O)c1 ZINC001322773546 848797144 /nfs/dbraw/zinc/79/71/44/848797144.db2.gz JKYVIUGFMKXANZ-UHFFFAOYSA-N -1 0 356.404 -0.036 20 0 FBADRM CC[C@@H](NC(=O)C(=O)[N-]OCCOC)c1cccc(S(N)(=O)=O)c1 ZINC001322786877 848800111 /nfs/dbraw/zinc/80/01/11/848800111.db2.gz WOABOHPXADDPAG-GFCCVEGCSA-N -1 0 359.404 -0.405 20 0 FBADRM CC[C@H](NC(=O)C(=O)[N-]OCCOC)c1cccc(S(N)(=O)=O)c1 ZINC001322786878 848800016 /nfs/dbraw/zinc/80/00/16/848800016.db2.gz WOABOHPXADDPAG-LBPRGKRZSA-N -1 0 359.404 -0.405 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)N[C@H](CC)c1cccc(S(N)(=O)=O)c1 ZINC001322787267 848799572 /nfs/dbraw/zinc/79/95/72/848799572.db2.gz YDSBRDQDLXMCDM-CYBMUJFWSA-N -1 0 373.431 -0.014 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)N[C@@H](CC)c1cccc(S(N)(=O)=O)c1 ZINC001322787270 848799932 /nfs/dbraw/zinc/79/99/32/848799932.db2.gz YDSBRDQDLXMCDM-ZDUSSCGKSA-N -1 0 373.431 -0.014 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NCCNC(=O)c1c(F)cccc1F ZINC001322787448 848800429 /nfs/dbraw/zinc/80/04/29/848800429.db2.gz IEVBKTOLHHZZND-UHFFFAOYSA-N -1 0 359.329 -0.105 20 0 FBADRM O=C(CN1CCC(=O)NC1=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC001322814148 848806423 /nfs/dbraw/zinc/80/64/23/848806423.db2.gz YJMAHQYDVPDBDV-UHFFFAOYSA-N -1 0 366.355 -0.506 20 0 FBADRM Cc1nc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c(Br)n1C ZINC001322822429 848807026 /nfs/dbraw/zinc/80/70/26/848807026.db2.gz GOTQLAFYRLMGME-UHFFFAOYSA-N -1 0 366.197 -0.422 20 0 FBADRM Cc1nn(C)cc1CCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC001322918438 848821165 /nfs/dbraw/zinc/82/11/65/848821165.db2.gz JFQCJEIUNFPBCR-UHFFFAOYSA-N -1 0 353.404 -0.396 20 0 FBADRM Cc1oc(C(=O)NCc2nc(=O)o[n-]2)cc1S(=O)(=O)N1CCCC1 ZINC001322948898 848826525 /nfs/dbraw/zinc/82/65/25/848826525.db2.gz KDQYONYERKRQTJ-UHFFFAOYSA-N -1 0 356.360 -0.021 20 0 FBADRM CC1(S(=O)(=O)[N-]C(=O)C2CCN(c3ccc4nnnn4n3)CC2)CC1 ZINC001322957186 848827392 /nfs/dbraw/zinc/82/73/92/848827392.db2.gz LWAIPSGWCDYIGY-UHFFFAOYSA-N -1 0 365.419 -0.266 20 0 FBADRM CC(=O)NCC(=O)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC001322962489 848828326 /nfs/dbraw/zinc/82/83/26/848828326.db2.gz OYCZUFNPQBJTJJ-UHFFFAOYSA-N -1 0 353.198 -0.568 20 0 FBADRM O=C([N-]OC1CCOCC1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001322975801 848830177 /nfs/dbraw/zinc/83/01/77/848830177.db2.gz LSSLNLNFENBJBA-SECBINFHSA-N -1 0 353.297 -0.507 20 0 FBADRM O=C([N-]OC1CCOCC1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC001322975802 848829847 /nfs/dbraw/zinc/82/98/47/848829847.db2.gz LSSLNLNFENBJBA-VIFPVBQESA-N -1 0 353.297 -0.507 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 ZINC001323016728 848837024 /nfs/dbraw/zinc/83/70/24/848837024.db2.gz ZGQKFBRNADCUET-UHFFFAOYSA-N -1 0 373.431 -0.526 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(F)cc1OC1CCOCC1 ZINC001323025551 848837894 /nfs/dbraw/zinc/83/78/94/848837894.db2.gz CZJDSBDVVMSRFS-UHFFFAOYSA-N -1 0 355.322 -0.145 20 0 FBADRM O=S(=O)(NN=c1ccc(S(=O)(=O)N2CCCC2)c[nH]1)c1c[nH]cn1 ZINC001323038256 848840564 /nfs/dbraw/zinc/84/05/64/848840564.db2.gz FNXVDIAWYJMDKV-UHFFFAOYSA-N -1 0 372.432 -0.105 20 0 FBADRM COCCOc1cc(C)ccc1NC(=O)C(=O)NN1CC(=O)NC1=O ZINC001323042144 848840490 /nfs/dbraw/zinc/84/04/90/848840490.db2.gz LSYYYBRVKGXOPS-UHFFFAOYSA-N -1 0 350.331 -0.458 20 0 FBADRM Cn1[nH]cc2c(=NC(=O)C(=O)NCC3(S(C)(=O)=O)CCC3)ccnc1-2 ZINC001323042176 848840715 /nfs/dbraw/zinc/84/07/15/848840715.db2.gz MAWHXXQSKANPQR-UHFFFAOYSA-N -1 0 365.415 -0.636 20 0 FBADRM COc1cc(NC(=O)C(=O)NN2CC(=O)NC2=O)ccc1Br ZINC001323042822 848840526 /nfs/dbraw/zinc/84/05/26/848840526.db2.gz WAUCTPOZESYSAF-UHFFFAOYSA-N -1 0 371.147 -0.021 20 0 FBADRM CN(CC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC001323082418 848846700 /nfs/dbraw/zinc/84/67/00/848846700.db2.gz FVQAWHMSEAXNTL-GFCCVEGCSA-N -1 0 366.403 -0.575 20 0 FBADRM CN(CC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC001323082419 848846570 /nfs/dbraw/zinc/84/65/70/848846570.db2.gz FVQAWHMSEAXNTL-LBPRGKRZSA-N -1 0 366.403 -0.575 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1cn(Cc2ccccn2)nn1 ZINC001323114113 848850181 /nfs/dbraw/zinc/85/01/81/848850181.db2.gz GUJOLLSUSVUSFX-LLVKDONJSA-N -1 0 351.388 -0.183 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1cn(Cc2ccccn2)nn1 ZINC001323114115 848850356 /nfs/dbraw/zinc/85/03/56/848850356.db2.gz GUJOLLSUSVUSFX-NSHDSACASA-N -1 0 351.388 -0.183 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC001323125353 848851210 /nfs/dbraw/zinc/85/12/10/848851210.db2.gz MWHOJCDIITXOCQ-VIFPVBQESA-N -1 0 374.381 -0.255 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)C(=O)[N-]OC2CCOCC2)c1 ZINC001323128143 848852692 /nfs/dbraw/zinc/85/26/92/848852692.db2.gz BRJXDTBCNZTQND-UHFFFAOYSA-N -1 0 371.415 -0.562 20 0 FBADRM COc1ccc(C(=O)NCc2nc(=O)o[n-]2)cc1S(=O)(=O)N(C)C ZINC001323154760 848855142 /nfs/dbraw/zinc/85/51/42/848855142.db2.gz OXMLAGFMPABWIH-UHFFFAOYSA-N -1 0 356.360 -0.448 20 0 FBADRM CNC(=O)Cn1cnc([N-]C(=O)c2sccc2S(=O)(=O)N(C)C)n1 ZINC001323167929 848856242 /nfs/dbraw/zinc/85/62/42/848856242.db2.gz PKWRREDRAYQTMY-UHFFFAOYSA-N -1 0 372.432 -0.412 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CCCN1C(=O)CNC1=O ZINC001323173962 848857243 /nfs/dbraw/zinc/85/72/43/848857243.db2.gz HFNVVSWHSKJSRZ-UHFFFAOYSA-N -1 0 357.392 -0.826 20 0 FBADRM O=C(CN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1)N1CCCCC1 ZINC001323198530 848860237 /nfs/dbraw/zinc/86/02/37/848860237.db2.gz YPZWZKKJXNPLPL-UHFFFAOYSA-N -1 0 350.379 -0.947 20 0 FBADRM CC(C)CO[N-]C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC001323246804 848868029 /nfs/dbraw/zinc/86/80/29/848868029.db2.gz PEPTUVXDQGQYLY-UHFFFAOYSA-N -1 0 353.466 -0.815 20 0 FBADRM O=C([N-]N1CC(=O)NC1=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC001323273091 848872086 /nfs/dbraw/zinc/87/20/86/848872086.db2.gz JGAOVBYOTWICTN-UHFFFAOYSA-N -1 0 352.175 -0.096 20 0 FBADRM COCn1nc(C)c(S(=O)(=O)[N-]c2ncn(CC(=O)OC)n2)c1C ZINC001323299451 848875774 /nfs/dbraw/zinc/87/57/74/848875774.db2.gz WOTWFZCNLOSNBN-UHFFFAOYSA-N -1 0 358.380 -0.331 20 0 FBADRM CN(C)C(=O)CN1CCC(NC(=O)C(=O)[N-]OCCC(F)(F)F)CC1 ZINC001323304123 848875599 /nfs/dbraw/zinc/87/55/99/848875599.db2.gz CZZTVRJIIBSGFW-UHFFFAOYSA-N -1 0 368.356 -0.345 20 0 FBADRM O=C([N-]S(=O)(=O)C1CCOCC1)c1cn(Cc2ccccn2)nn1 ZINC001323310424 848876823 /nfs/dbraw/zinc/87/68/23/848876823.db2.gz UOTZMKWSCHZWRP-UHFFFAOYSA-N -1 0 351.388 -0.040 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001323315011 848877921 /nfs/dbraw/zinc/87/79/21/848877921.db2.gz OMWLELBIKIRSSN-JTQLQIEISA-N -1 0 368.415 -0.543 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001323315015 848877717 /nfs/dbraw/zinc/87/77/17/848877717.db2.gz OMWLELBIKIRSSN-SNVBAGLBSA-N -1 0 368.415 -0.543 20 0 FBADRM CSC[C@@H](C(=O)NCc1nc(=O)o[n-]1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001323318540 848877851 /nfs/dbraw/zinc/87/78/51/848877851.db2.gz MYRXBDIUFKRWJP-AEJSXWLSSA-N -1 0 368.415 -0.114 20 0 FBADRM CSC[C@H](C(=O)NCc1nc(=O)o[n-]1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001323318541 848877770 /nfs/dbraw/zinc/87/77/70/848877770.db2.gz MYRXBDIUFKRWJP-KXUCPTDWSA-N -1 0 368.415 -0.114 20 0 FBADRM CSC[C@H](C(=O)NCc1nc(=O)o[n-]1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001323318542 848877708 /nfs/dbraw/zinc/87/77/08/848877708.db2.gz MYRXBDIUFKRWJP-LPEHRKFASA-N -1 0 368.415 -0.114 20 0 FBADRM CSC[C@H](C(=O)NCc1nc(=O)o[n-]1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001323318543 848877384 /nfs/dbraw/zinc/87/73/84/848877384.db2.gz MYRXBDIUFKRWJP-OPRDCNLKSA-N -1 0 368.415 -0.114 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)CC(=O)NCc2nc(=O)o[n-]2)cc1F ZINC001323327756 848879661 /nfs/dbraw/zinc/87/96/61/848879661.db2.gz HFRFXAXWUXHDRE-UHFFFAOYSA-N -1 0 357.319 -0.205 20 0 FBADRM O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)NCc1nc(=O)o[n-]1 ZINC001323327946 848879236 /nfs/dbraw/zinc/87/92/36/848879236.db2.gz KKUGIOQAZYZELB-DEOSSOPVSA-N -1 0 353.356 -0.052 20 0 FBADRM O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)NCc1nc(=O)o[n-]1 ZINC001323327948 848879572 /nfs/dbraw/zinc/87/95/72/848879572.db2.gz KKUGIOQAZYZELB-XMMPIXPASA-N -1 0 353.356 -0.052 20 0 FBADRM CC(C)CO[N-]C(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC001323377287 848886943 /nfs/dbraw/zinc/88/69/43/848886943.db2.gz MGEMKLXHAFAXFG-UHFFFAOYSA-N -1 0 357.432 -0.074 20 0 FBADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C(=O)NC[C@@H]1COCCO1 ZINC001323390243 848889092 /nfs/dbraw/zinc/88/90/92/848889092.db2.gz GQMQGHMNWMPTFB-SECBINFHSA-N -1 0 366.399 -0.113 20 0 FBADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C(=O)NC[C@H]1COCCO1 ZINC001323390246 848888950 /nfs/dbraw/zinc/88/89/50/848888950.db2.gz GQMQGHMNWMPTFB-VIFPVBQESA-N -1 0 366.399 -0.113 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)[C@@]2(F)CCOC2)c1 ZINC001323399734 848889862 /nfs/dbraw/zinc/88/98/62/848889862.db2.gz JSCINZVWTORQKZ-CYBMUJFWSA-N -1 0 355.351 -0.189 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)[C@]2(F)CCOC2)c1 ZINC001323399735 848889845 /nfs/dbraw/zinc/88/98/45/848889845.db2.gz JSCINZVWTORQKZ-ZDUSSCGKSA-N -1 0 355.351 -0.189 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1=O ZINC001323428945 848895262 /nfs/dbraw/zinc/89/52/62/848895262.db2.gz SAFSPIOCFWRXEZ-NOZJJQNGSA-N -1 0 357.392 -0.242 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1=O ZINC001323428947 848895802 /nfs/dbraw/zinc/89/58/02/848895802.db2.gz SAFSPIOCFWRXEZ-RNCFNFMXSA-N -1 0 357.392 -0.242 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1=O ZINC001323428952 848895831 /nfs/dbraw/zinc/89/58/31/848895831.db2.gz SAFSPIOCFWRXEZ-TVQRCGJNSA-N -1 0 357.392 -0.242 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1=O ZINC001323428956 848895297 /nfs/dbraw/zinc/89/52/97/848895297.db2.gz SAFSPIOCFWRXEZ-ZANVPECISA-N -1 0 357.392 -0.242 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)Cn1ncc2ccccc2c1=O ZINC001323469051 848902410 /nfs/dbraw/zinc/90/24/10/848902410.db2.gz FJMQZLJWGKHADA-UHFFFAOYSA-N -1 0 361.383 -0.056 20 0 FBADRM C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001323481441 848903409 /nfs/dbraw/zinc/90/34/09/848903409.db2.gz BDLJQXSUJNWUIM-CMPLNLGQSA-N -1 0 350.423 -0.198 20 0 FBADRM C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001323481443 848903105 /nfs/dbraw/zinc/90/31/05/848903105.db2.gz BDLJQXSUJNWUIM-JQWIXIFHSA-N -1 0 350.423 -0.198 20 0 FBADRM C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001323481445 848903473 /nfs/dbraw/zinc/90/34/73/848903473.db2.gz BDLJQXSUJNWUIM-PWSUYJOCSA-N -1 0 350.423 -0.198 20 0 FBADRM C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001323481448 848903138 /nfs/dbraw/zinc/90/31/38/848903138.db2.gz BDLJQXSUJNWUIM-ZYHUDNBSSA-N -1 0 350.423 -0.198 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC001323504366 848906747 /nfs/dbraw/zinc/90/67/47/848906747.db2.gz PJHYAEGFVFGXDQ-LKFCYVNXSA-N -1 0 358.420 -0.766 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC001323504367 848906394 /nfs/dbraw/zinc/90/63/94/848906394.db2.gz PJHYAEGFVFGXDQ-OTYXRUKQSA-N -1 0 358.420 -0.766 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC001323504368 848906401 /nfs/dbraw/zinc/90/64/01/848906401.db2.gz PJHYAEGFVFGXDQ-XPTSAGLGSA-N -1 0 358.420 -0.766 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC001323504369 848906367 /nfs/dbraw/zinc/90/63/67/848906367.db2.gz PJHYAEGFVFGXDQ-YMTOWFKASA-N -1 0 358.420 -0.766 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O)cc1 ZINC001323506563 848907402 /nfs/dbraw/zinc/90/74/02/848907402.db2.gz ALCSTVFMAKUCEJ-UHFFFAOYSA-N -1 0 362.429 -0.324 20 0 FBADRM C[C@H](NC(=O)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)C(=O)N(C)C ZINC001323506865 848907160 /nfs/dbraw/zinc/90/71/60/848907160.db2.gz XRVHHGAOVVLUBE-QMMMGPOBSA-N -1 0 365.415 -0.052 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)C[C@@H]3CCCC(=O)N3)cnc21 ZINC001323527562 848910070 /nfs/dbraw/zinc/91/00/70/848910070.db2.gz RSOLSIJVYYGZRZ-JTQLQIEISA-N -1 0 351.388 -0.168 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)C[C@H]3CCCC(=O)N3)cnc21 ZINC001323527564 848910105 /nfs/dbraw/zinc/91/01/05/848910105.db2.gz RSOLSIJVYYGZRZ-SNVBAGLBSA-N -1 0 351.388 -0.168 20 0 FBADRM COC(=O)c1cnc(S(=O)(=O)CC(=O)N(C)Cc2cnn(C)c2)[n-]1 ZINC001323534937 848911189 /nfs/dbraw/zinc/91/11/89/848911189.db2.gz YUCJQXANLCFTLP-UHFFFAOYSA-N -1 0 355.376 -0.638 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)C2CCC3(CC2)NC(=O)NC3=O)cn1 ZINC001323541008 848912703 /nfs/dbraw/zinc/91/27/03/848912703.db2.gz KPQUQNSUYKJSHQ-UHFFFAOYSA-N -1 0 369.403 -0.524 20 0 FBADRM O=C([O-])CS(=O)(=O)CCN1CCN(Cc2cn3ccccc3n2)CC1 ZINC001323544531 848913661 /nfs/dbraw/zinc/91/36/61/848913661.db2.gz HAEREWDVTNUGCO-UHFFFAOYSA-N -1 0 366.443 -0.049 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC001323557700 848915211 /nfs/dbraw/zinc/91/52/11/848915211.db2.gz RLGHOBDMKSZMTG-GFCCVEGCSA-N -1 0 368.411 -0.283 20 0 FBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC001323557701 848915265 /nfs/dbraw/zinc/91/52/65/848915265.db2.gz RLGHOBDMKSZMTG-LBPRGKRZSA-N -1 0 368.411 -0.283 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC001323559998 848915497 /nfs/dbraw/zinc/91/54/97/848915497.db2.gz CJIIFBISJGKTSJ-JTQLQIEISA-N -1 0 356.466 -0.329 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC001323559999 848915588 /nfs/dbraw/zinc/91/55/88/848915588.db2.gz CJIIFBISJGKTSJ-SNVBAGLBSA-N -1 0 356.466 -0.329 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)nnn1Cc1ccncc1 ZINC001323560700 848915980 /nfs/dbraw/zinc/91/59/80/848915980.db2.gz IGGHCLKNMVQRLP-GFCCVEGCSA-N -1 0 351.388 -0.122 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)nnn1Cc1ccncc1 ZINC001323560702 848916313 /nfs/dbraw/zinc/91/63/13/848916313.db2.gz IGGHCLKNMVQRLP-LBPRGKRZSA-N -1 0 351.388 -0.122 20 0 FBADRM CC(=O)NC[C@@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)N(C)C(C)C)c2C1 ZINC001323560838 848916392 /nfs/dbraw/zinc/91/63/92/848916392.db2.gz KUHZPSSXPNTPQY-GFCCVEGCSA-N -1 0 371.463 -0.104 20 0 FBADRM CC(=O)NC[C@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)N(C)C(C)C)c2C1 ZINC001323560839 848916262 /nfs/dbraw/zinc/91/62/62/848916262.db2.gz KUHZPSSXPNTPQY-LBPRGKRZSA-N -1 0 371.463 -0.104 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC001323561974 848916279 /nfs/dbraw/zinc/91/62/79/848916279.db2.gz SKWHIDOYHRHWKQ-JTQLQIEISA-N -1 0 356.466 -0.330 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC001323561975 848915924 /nfs/dbraw/zinc/91/59/24/848915924.db2.gz SKWHIDOYHRHWKQ-SNVBAGLBSA-N -1 0 356.466 -0.330 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)CCc1ccnn1C ZINC001323574025 848918445 /nfs/dbraw/zinc/91/84/45/848918445.db2.gz APCMVISVPGIGSC-UHFFFAOYSA-N -1 0 366.399 -0.035 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)CCc1cnn(C)c1 ZINC001323575502 848919308 /nfs/dbraw/zinc/91/93/08/848919308.db2.gz QNZZPDCJUXYNBU-UHFFFAOYSA-N -1 0 366.399 -0.035 20 0 FBADRM Cn1c(=O)cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c2ccccc21 ZINC001323580765 848920436 /nfs/dbraw/zinc/92/04/36/848920436.db2.gz WWJPSJPWFLLRCF-UHFFFAOYSA-N -1 0 351.384 -0.155 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCCC2)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC001323594228 848922034 /nfs/dbraw/zinc/92/20/34/848922034.db2.gz AMDZPHQTCRPLNQ-LLVKDONJSA-N -1 0 358.420 -0.604 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCCC2)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC001323594229 848922141 /nfs/dbraw/zinc/92/21/41/848922141.db2.gz AMDZPHQTCRPLNQ-NSHDSACASA-N -1 0 358.420 -0.604 20 0 FBADRM COCc1nc2n(n1)C[C@H](NC(=O)C(=O)[N-]OCCC(F)(F)F)CC2 ZINC001323611414 848926287 /nfs/dbraw/zinc/92/62/87/848926287.db2.gz JKYSFQIUTOFNPC-MRVPVSSYSA-N -1 0 365.312 -0.144 20 0 FBADRM COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)[N-]OCCC(F)(F)F)CC2 ZINC001323611416 848926090 /nfs/dbraw/zinc/92/60/90/848926090.db2.gz JKYSFQIUTOFNPC-QMMMGPOBSA-N -1 0 365.312 -0.144 20 0 FBADRM O=C(Cn1cnc2sccc2c1=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001323617628 848926887 /nfs/dbraw/zinc/92/68/87/848926887.db2.gz HYNNYCZRNKNMDZ-UHFFFAOYSA-N -1 0 361.387 -0.519 20 0 FBADRM COc1ccccc1CO[N-]C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC001323625433 848928234 /nfs/dbraw/zinc/92/82/34/848928234.db2.gz PRZOVJAESOOYRL-UHFFFAOYSA-N -1 0 371.415 -0.749 20 0 FBADRM CN1C(=O)CN([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1=O ZINC001323660660 848933481 /nfs/dbraw/zinc/93/34/81/848933481.db2.gz TYQOYQFYYAPLPX-UHFFFAOYSA-N -1 0 355.376 -0.662 20 0 FBADRM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c1 ZINC001323663271 848933517 /nfs/dbraw/zinc/93/35/17/848933517.db2.gz UFUMIVKANGCEHS-UHFFFAOYSA-N -1 0 354.388 -0.134 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC001323672130 848935549 /nfs/dbraw/zinc/93/55/49/848935549.db2.gz LMCZFJRXPAJTLX-UHFFFAOYSA-N -1 0 367.474 -0.447 20 0 FBADRM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)N2C)cc1 ZINC001323744974 848947575 /nfs/dbraw/zinc/94/75/75/848947575.db2.gz ZKXRWKJDUSJKET-LBPRGKRZSA-N -1 0 353.400 -0.186 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cn(CC2(C)COC2)nn1 ZINC001323759842 848948982 /nfs/dbraw/zinc/94/89/82/848948982.db2.gz ZBEBMJJZXXZOEV-UHFFFAOYSA-N -1 0 354.392 -0.525 20 0 FBADRM COCCO[N-]C(=O)C(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1 ZINC001323765590 848950032 /nfs/dbraw/zinc/95/00/32/848950032.db2.gz LTULKLPHLBKJGF-UHFFFAOYSA-N -1 0 365.452 -0.753 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cc1 ZINC001323785618 848954448 /nfs/dbraw/zinc/95/44/48/848954448.db2.gz WFLBGOYRYKAFKL-UHFFFAOYSA-N -1 0 365.415 -0.152 20 0 FBADRM CSCC[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)N(C)C ZINC001323790705 848955280 /nfs/dbraw/zinc/95/52/80/848955280.db2.gz CXCQSAXAXRWABQ-JTQLQIEISA-N -1 0 352.420 -0.603 20 0 FBADRM COCCO[N-]C(=O)C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC001323874130 848969131 /nfs/dbraw/zinc/96/91/31/848969131.db2.gz WZEGSNAGNBINGN-UHFFFAOYSA-N -1 0 365.452 -0.611 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)Cn2cc(C3CC3)nn2)s1 ZINC001323893547 848971831 /nfs/dbraw/zinc/97/18/31/848971831.db2.gz DNCZGKUOIZCYEB-UHFFFAOYSA-N -1 0 355.401 -0.179 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cn(C2CCOCC2)nn1 ZINC001323918182 848974800 /nfs/dbraw/zinc/97/48/00/848974800.db2.gz IAZLRAUWJVKRLH-UHFFFAOYSA-N -1 0 362.408 -0.648 20 0 FBADRM CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)[N-]OC/C=C\Cl)c1 ZINC001323919167 848975198 /nfs/dbraw/zinc/97/51/98/848975198.db2.gz MNVWENSDJVTSJE-UTCJRWHESA-N -1 0 368.777 -0.099 20 0 FBADRM CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)[N-]OC/C=C/Cl)c1 ZINC001323919168 848974858 /nfs/dbraw/zinc/97/48/58/848974858.db2.gz MNVWENSDJVTSJE-ZZXKWVIFSA-N -1 0 368.777 -0.099 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)Cc2ccccc2S(C)(=O)=O)cn1 ZINC001323919739 848974787 /nfs/dbraw/zinc/97/47/87/848974787.db2.gz QRJHQYLXKDVFKV-UHFFFAOYSA-N -1 0 357.413 -0.129 20 0 FBADRM CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC)n1 ZINC001323923988 848975846 /nfs/dbraw/zinc/97/58/46/848975846.db2.gz QYKYLQOZFYSPFG-UHFFFAOYSA-N -1 0 357.388 -0.300 20 0 FBADRM COCC1(C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2OC)CCOCC1 ZINC001323952493 848979198 /nfs/dbraw/zinc/97/91/98/848979198.db2.gz CEWANRFBHBZUKM-UHFFFAOYSA-N -1 0 361.420 -0.015 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cn(C2CCOCC2)nn1 ZINC001323952505 848979209 /nfs/dbraw/zinc/97/92/09/848979209.db2.gz CLYWPHPHKRKZGY-UHFFFAOYSA-N -1 0 360.392 -0.358 20 0 FBADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)C2CCOCC2)c1 ZINC001323953794 848979132 /nfs/dbraw/zinc/97/91/32/848979132.db2.gz LFRXPQVHLKFMFD-UHFFFAOYSA-N -1 0 370.427 -0.021 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)C1CCN(c2cnccn2)CC1 ZINC001323966663 848980452 /nfs/dbraw/zinc/98/04/52/848980452.db2.gz GMYUJXDKHWPXQK-UHFFFAOYSA-N -1 0 350.404 -0.068 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)s1 ZINC001323985576 848983070 /nfs/dbraw/zinc/98/30/70/848983070.db2.gz KUOZUQVHOGBVOA-UHFFFAOYSA-N -1 0 360.417 -0.486 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC001323986581 848982931 /nfs/dbraw/zinc/98/29/31/848982931.db2.gz WVVAJHUTBOAYST-CYBMUJFWSA-N -1 0 368.415 -0.845 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC001323986582 848982918 /nfs/dbraw/zinc/98/29/18/848982918.db2.gz WVVAJHUTBOAYST-ZDUSSCGKSA-N -1 0 368.415 -0.845 20 0 FBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)OC)CCC1 ZINC001323998991 848984616 /nfs/dbraw/zinc/98/46/16/848984616.db2.gz BLHXIBKOEVQKOI-UHFFFAOYSA-N -1 0 361.401 -0.349 20 0 FBADRM COCCCOCC(=O)[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC001323999356 848984521 /nfs/dbraw/zinc/98/45/21/848984521.db2.gz HOKINSVNSIABAV-UHFFFAOYSA-N -1 0 352.390 -0.212 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001324000553 848985760 /nfs/dbraw/zinc/98/57/60/848985760.db2.gz QTGHFKVHFAIGQE-SSDOTTSWSA-N -1 0 361.401 -0.397 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001324000556 848985828 /nfs/dbraw/zinc/98/58/28/848985828.db2.gz QTGHFKVHFAIGQE-ZETCQYMHSA-N -1 0 361.401 -0.397 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)C[C@H]2COC(=O)C2)c1 ZINC001324007696 848986693 /nfs/dbraw/zinc/98/66/93/848986693.db2.gz NZFLISBUIFILAM-SECBINFHSA-N -1 0 365.371 -0.365 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)C[C@@H]2COC(=O)C2)c1 ZINC001324007698 848986442 /nfs/dbraw/zinc/98/64/42/848986442.db2.gz NZFLISBUIFILAM-VIFPVBQESA-N -1 0 365.371 -0.365 20 0 FBADRM COc1cc(C(=O)[N-]S(=O)(=O)N(C)C)cc(OC)c1OCC(N)=O ZINC001324034040 848989417 /nfs/dbraw/zinc/98/94/17/848989417.db2.gz JNUWELIKRSTDER-UHFFFAOYSA-N -1 0 361.376 -0.896 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC001324034061 848989642 /nfs/dbraw/zinc/98/96/42/848989642.db2.gz KBSFABMQXNMLDZ-LLVKDONJSA-N -1 0 357.367 -0.832 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC001324034063 848990398 /nfs/dbraw/zinc/99/03/98/848990398.db2.gz KBSFABMQXNMLDZ-NSHDSACASA-N -1 0 357.367 -0.832 20 0 FBADRM COCCOCC(=O)NC1CCC(C(=O)NC[C@](C)(O)C(=O)[O-])CC1 ZINC001324047502 848991358 /nfs/dbraw/zinc/99/13/58/848991358.db2.gz VRMFDROZVUVMEV-PPUFBPAQSA-N -1 0 360.407 -0.724 20 0 FBADRM COCCOCC(=O)NC1CCC(C(=O)NC[C@@](C)(O)C(=O)[O-])CC1 ZINC001324047505 848991378 /nfs/dbraw/zinc/99/13/78/848991378.db2.gz VRMFDROZVUVMEV-ZEPSKSRBSA-N -1 0 360.407 -0.724 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC001324071331 848994075 /nfs/dbraw/zinc/99/40/75/848994075.db2.gz OGFMRXVKZCSSAP-NXEZZACHSA-N -1 0 367.324 -0.260 20 0 FBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC001324071332 848993802 /nfs/dbraw/zinc/99/38/02/848993802.db2.gz OGFMRXVKZCSSAP-UWVGGRQHSA-N -1 0 367.324 -0.260 20 0 FBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC001324071333 848993961 /nfs/dbraw/zinc/99/39/61/848993961.db2.gz OGFMRXVKZCSSAP-VHSXEESVSA-N -1 0 367.324 -0.260 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC001324071334 848994104 /nfs/dbraw/zinc/99/41/04/848994104.db2.gz OGFMRXVKZCSSAP-ZJUUUORDSA-N -1 0 367.324 -0.260 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1nnn(Cc2cc(C)no2)c1C ZINC001324111296 848998153 /nfs/dbraw/zinc/99/81/53/848998153.db2.gz FYELRLUYAIGYHR-UHFFFAOYSA-N -1 0 372.407 -0.516 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CN(C)Cc2ccccc2)CC1 ZINC001324111836 848997807 /nfs/dbraw/zinc/99/78/07/848997807.db2.gz IQDMDZARMMFEDD-UHFFFAOYSA-N -1 0 368.459 -0.357 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cnc(C)nc2C2CC2)CC1 ZINC001324113275 848998162 /nfs/dbraw/zinc/99/81/62/848998162.db2.gz PJOWRQYQNHPSPW-UHFFFAOYSA-N -1 0 367.431 -0.199 20 0 FBADRM CCOc1ccc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)cn1 ZINC001324114110 848997749 /nfs/dbraw/zinc/99/77/49/848997749.db2.gz URSZUNUZLAWBOZ-UHFFFAOYSA-N -1 0 356.404 -0.381 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)C2CCN(C(=O)N(C)C)CC2)cnn1C ZINC001324114922 848998212 /nfs/dbraw/zinc/99/82/12/848998212.db2.gz WZNSVGIZJQNQQH-UHFFFAOYSA-N -1 0 357.436 -0.073 20 0 FBADRM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCN(C)C1=O ZINC001324121438 848998874 /nfs/dbraw/zinc/99/88/74/848998874.db2.gz QBZTYOPWGJEIFF-LLVKDONJSA-N -1 0 369.399 -0.063 20 0 FBADRM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)C1=O ZINC001324121440 848998841 /nfs/dbraw/zinc/99/88/41/848998841.db2.gz QBZTYOPWGJEIFF-NSHDSACASA-N -1 0 369.399 -0.063 20 0 FBADRM CCCc1cc(=O)n2[n-]c(NS(=O)(=O)[C@H](C)C(=O)N(C)C)nc2n1 ZINC001324124168 848999489 /nfs/dbraw/zinc/99/94/89/848999489.db2.gz CJPVIRZORLCVEQ-MRVPVSSYSA-N -1 0 356.408 -0.412 20 0 FBADRM CCCc1cc(=O)n2[n-]c(NS(=O)(=O)[C@@H](C)C(=O)N(C)C)nc2n1 ZINC001324124171 848999618 /nfs/dbraw/zinc/99/96/18/848999618.db2.gz CJPVIRZORLCVEQ-QMMMGPOBSA-N -1 0 356.408 -0.412 20 0 FBADRM C[C@H](CN(C)C(=O)c1cc(S(=O)(=O)N(C)C)cn1C)c1nnn[n-]1 ZINC001324137058 849000857 /nfs/dbraw/zinc/00/08/57/849000857.db2.gz WLYPIRCLRPFDLD-SECBINFHSA-N -1 0 355.424 -0.336 20 0 FBADRM C[C@@H](CN(C)C(=O)c1cc(S(=O)(=O)N(C)C)cn1C)c1nnn[n-]1 ZINC001324137059 849000453 /nfs/dbraw/zinc/00/04/53/849000453.db2.gz WLYPIRCLRPFDLD-VIFPVBQESA-N -1 0 355.424 -0.336 20 0 FBADRM CSCCO[N-]C(=O)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC001324150598 849001729 /nfs/dbraw/zinc/00/17/29/849001729.db2.gz NFOSWIPMTVIPJZ-NXEZZACHSA-N -1 0 353.466 -0.769 20 0 FBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC001324150600 849001509 /nfs/dbraw/zinc/00/15/09/849001509.db2.gz NFOSWIPMTVIPJZ-UWVGGRQHSA-N -1 0 353.466 -0.769 20 0 FBADRM CSCCO[N-]C(=O)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC001324150603 849001857 /nfs/dbraw/zinc/00/18/57/849001857.db2.gz NFOSWIPMTVIPJZ-VHSXEESVSA-N -1 0 353.466 -0.769 20 0 FBADRM CSCCO[N-]C(=O)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC001324150605 849002628 /nfs/dbraw/zinc/00/26/28/849002628.db2.gz NFOSWIPMTVIPJZ-ZJUUUORDSA-N -1 0 353.466 -0.769 20 0 FBADRM CS(=O)(=O)c1cc(S(=O)(=O)NCc2nc(=O)o[n-]2)c(Cl)s1 ZINC001324155923 849002401 /nfs/dbraw/zinc/00/24/01/849002401.db2.gz BRQUYZOMYDVKMJ-UHFFFAOYSA-N -1 0 373.821 -0.040 20 0 FBADRM Cc1nc(S(=O)(=O)NCc2nc(=O)o[n-]2)c(Br)n1C ZINC001324157790 849002248 /nfs/dbraw/zinc/00/22/48/849002248.db2.gz MVBXZPKANJBFBO-UHFFFAOYSA-N -1 0 352.170 -0.354 20 0 FBADRM O=C(CCn1cnccc1=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC001324158287 849002612 /nfs/dbraw/zinc/00/26/12/849002612.db2.gz IPPXMIMSKQPMEG-UHFFFAOYSA-N -1 0 361.330 -0.400 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)CCn3cnccc3=O)cnc21 ZINC001324158638 849002458 /nfs/dbraw/zinc/00/24/58/849002458.db2.gz LIPKNJCKESLDMY-UHFFFAOYSA-N -1 0 362.371 -0.580 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cn(C2CCOCC2)nn1 ZINC001324158752 849002364 /nfs/dbraw/zinc/00/23/64/849002364.db2.gz MFRWDOXCQHAWLA-UHFFFAOYSA-N -1 0 354.392 -0.210 20 0 FBADRM Cc1cc(Cn2nnc(C(=O)[N-]S(=O)(=O)c3cnn(C)c3)c2C)on1 ZINC001324160022 849003349 /nfs/dbraw/zinc/00/33/49/849003349.db2.gz ZTKRCHOCAOXSJM-UHFFFAOYSA-N -1 0 365.375 -0.217 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)[O-] ZINC001324174981 849004128 /nfs/dbraw/zinc/00/41/28/849004128.db2.gz PUZZQWJZAUBVBQ-NSHDSACASA-N -1 0 356.356 -0.134 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC001324183206 849005400 /nfs/dbraw/zinc/00/54/00/849005400.db2.gz WHUZUBJMCADXRU-UHFFFAOYSA-N -1 0 364.387 -0.579 20 0 FBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC001324183782 849005315 /nfs/dbraw/zinc/00/53/15/849005315.db2.gz COZHMVNJPFOMAK-LBPRGKRZSA-N -1 0 354.384 -0.364 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cnc3c(cnn3C)c2)n1 ZINC001324185855 849005229 /nfs/dbraw/zinc/00/52/29/849005229.db2.gz UKCXFROVJIGDDB-UHFFFAOYSA-N -1 0 350.364 -0.893 20 0 FBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC001324185884 849005421 /nfs/dbraw/zinc/00/54/21/849005421.db2.gz VEDMWEWJIWSTEK-LBPRGKRZSA-N -1 0 354.384 -0.364 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cc1C(=O)N(C)C ZINC001324186487 849005385 /nfs/dbraw/zinc/00/53/85/849005385.db2.gz ZLUMTDJCXAMPGJ-NSHDSACASA-N -1 0 360.388 -0.489 20 0 FBADRM CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC001324186493 849005114 /nfs/dbraw/zinc/00/51/14/849005114.db2.gz ZQGOLXKPAPDLAF-VIFPVBQESA-N -1 0 371.820 -0.392 20 0 FBADRM O=C([O-])Cn1cc(CNS(=O)(=O)c2cnn(CC(F)(F)F)c2)nn1 ZINC001324191309 849006177 /nfs/dbraw/zinc/00/61/77/849006177.db2.gz DWJYDSCSABZKOA-UHFFFAOYSA-N -1 0 368.297 -0.400 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@H](Cn1cc(Cl)cn1)C(=O)[O-] ZINC001324191545 849006120 /nfs/dbraw/zinc/00/61/20/849006120.db2.gz IGFIONASPFMFKC-SECBINFHSA-N -1 0 373.840 -0.656 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@@H](Cn1cc(Cl)cn1)C(=O)[O-] ZINC001324191546 849006156 /nfs/dbraw/zinc/00/61/56/849006156.db2.gz IGFIONASPFMFKC-VIFPVBQESA-N -1 0 373.840 -0.656 20 0 FBADRM CS(=O)(=O)NCc1ccc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)o1 ZINC001324191958 849006281 /nfs/dbraw/zinc/00/62/81/849006281.db2.gz LLHMTWYRRXSYHD-SECBINFHSA-N -1 0 372.432 -0.228 20 0 FBADRM CS(=O)(=O)NCc1ccc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)o1 ZINC001324191959 849005891 /nfs/dbraw/zinc/00/58/91/849005891.db2.gz LLHMTWYRRXSYHD-VIFPVBQESA-N -1 0 372.432 -0.228 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])o1 ZINC001324191960 849006255 /nfs/dbraw/zinc/00/62/55/849006255.db2.gz LQFKCOMOMZEBFH-SECBINFHSA-N -1 0 362.360 -0.870 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])o1 ZINC001324191961 849006107 /nfs/dbraw/zinc/00/61/07/849006107.db2.gz LQFKCOMOMZEBFH-VIFPVBQESA-N -1 0 362.360 -0.870 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)CCc2nc3c(cnn3C)c(=O)[nH]2)CC1 ZINC001324192017 849006266 /nfs/dbraw/zinc/00/62/66/849006266.db2.gz DYAOANWKBDIDHE-UHFFFAOYSA-N -1 0 369.403 -0.374 20 0 FBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC001324192238 849005940 /nfs/dbraw/zinc/00/59/40/849005940.db2.gz NBQRMHZABQKEID-HTQZYQBOSA-N -1 0 364.811 -0.279 20 0 FBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC001324192241 849005972 /nfs/dbraw/zinc/00/59/72/849005972.db2.gz NBQRMHZABQKEID-JGVFFNPUSA-N -1 0 364.811 -0.279 20 0 FBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(N)=O ZINC001324192242 849006214 /nfs/dbraw/zinc/00/62/14/849006214.db2.gz NBQRMHZABQKEID-SFYZADRCSA-N -1 0 364.811 -0.279 20 0 FBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(N)=O ZINC001324192244 849006032 /nfs/dbraw/zinc/00/60/32/849006032.db2.gz NBQRMHZABQKEID-YUMQZZPRSA-N -1 0 364.811 -0.279 20 0 FBADRM O=C([O-])CCN1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC001324192772 849007008 /nfs/dbraw/zinc/00/70/08/849007008.db2.gz QQYULHIZXACTSE-UHFFFAOYSA-N -1 0 366.403 -0.557 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])nc1Cl ZINC001324193394 849006803 /nfs/dbraw/zinc/00/68/03/849006803.db2.gz WRAHVAQUZZXEBL-MRVPVSSYSA-N -1 0 352.800 -0.863 20 0 FBADRM Cn1cc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])nc1Cl ZINC001324193396 849007126 /nfs/dbraw/zinc/00/71/26/849007126.db2.gz WRAHVAQUZZXEBL-QMMMGPOBSA-N -1 0 352.800 -0.863 20 0 FBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2cnc3c(cnn3C)c2)CCC1 ZINC001324202090 849007954 /nfs/dbraw/zinc/00/79/54/849007954.db2.gz ZWGCGGWGMJAUKF-UHFFFAOYSA-N -1 0 351.388 -0.311 20 0 FBADRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)cc2)C1 ZINC001324203495 849008685 /nfs/dbraw/zinc/00/86/85/849008685.db2.gz FUVCCKQFCUNHKI-LLVKDONJSA-N -1 0 353.400 -0.151 20 0 FBADRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)cc2)C1 ZINC001324203499 849008742 /nfs/dbraw/zinc/00/87/42/849008742.db2.gz FUVCCKQFCUNHKI-NSHDSACASA-N -1 0 353.400 -0.151 20 0 FBADRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)C1 ZINC001324203600 849008562 /nfs/dbraw/zinc/00/85/62/849008562.db2.gz HIEIHEKGTQKWRL-SECBINFHSA-N -1 0 356.404 -0.813 20 0 FBADRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)C1 ZINC001324203601 849008589 /nfs/dbraw/zinc/00/85/89/849008589.db2.gz HIEIHEKGTQKWRL-VIFPVBQESA-N -1 0 356.404 -0.813 20 0 FBADRM O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)c1cnn(CC2CC2)c1 ZINC001324209762 849009705 /nfs/dbraw/zinc/00/97/05/849009705.db2.gz JKDRNDOQLGMRRH-CYBMUJFWSA-N -1 0 358.420 -0.643 20 0 FBADRM O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)c1cnn(CC2CC2)c1 ZINC001324209763 849009323 /nfs/dbraw/zinc/00/93/23/849009323.db2.gz JKDRNDOQLGMRRH-ZDUSSCGKSA-N -1 0 358.420 -0.643 20 0 FBADRM CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)n1 ZINC001324211200 849009689 /nfs/dbraw/zinc/00/96/89/849009689.db2.gz XLAUEDTVTBCYFG-UHFFFAOYSA-N -1 0 363.350 -0.371 20 0 FBADRM O=C([O-])[C@H]1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1(F)F ZINC001324218177 849010230 /nfs/dbraw/zinc/01/02/30/849010230.db2.gz OONQCFJFODQATK-SECBINFHSA-N -1 0 361.388 -0.065 20 0 FBADRM O=C([O-])[C@@H]1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1(F)F ZINC001324218178 849010344 /nfs/dbraw/zinc/01/03/44/849010344.db2.gz OONQCFJFODQATK-VIFPVBQESA-N -1 0 361.388 -0.065 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)[N-]OCCC(F)(F)F)cn1 ZINC001324225620 849011208 /nfs/dbraw/zinc/01/12/08/849011208.db2.gz SAIZCEMGVDHILS-UHFFFAOYSA-N -1 0 351.285 -0.090 20 0 FBADRM Cn1cnnc1COCC(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC001324227655 849011378 /nfs/dbraw/zinc/01/13/78/849011378.db2.gz KRMRSJSNOKNWFF-UHFFFAOYSA-N -1 0 365.371 -0.103 20 0 FBADRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O ZINC001324244285 849012671 /nfs/dbraw/zinc/01/26/71/849012671.db2.gz GLDWGJGWJBOQCW-LLVKDONJSA-N -1 0 373.431 -0.075 20 0 FBADRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O ZINC001324244287 849012735 /nfs/dbraw/zinc/01/27/35/849012735.db2.gz GLDWGJGWJBOQCW-NSHDSACASA-N -1 0 373.431 -0.075 20 0 FBADRM COc1ccc(S(=O)(=O)[N-]C(=O)COCc2nncn2C)cc1OC ZINC001324261177 849014436 /nfs/dbraw/zinc/01/44/36/849014436.db2.gz NBJXUEGDHODEIZ-UHFFFAOYSA-N -1 0 370.387 -0.146 20 0 FBADRM O=C(CCC(=O)N1CCOCC1)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC001324265215 849014520 /nfs/dbraw/zinc/01/45/20/849014520.db2.gz CATXULKHRDWNNB-UHFFFAOYSA-N -1 0 372.403 -0.891 20 0 FBADRM Cc1nnc(COCC(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)s1 ZINC001324265454 849014637 /nfs/dbraw/zinc/01/46/37/849014637.db2.gz FVVWIMWUNNUTIE-UHFFFAOYSA-N -1 0 373.416 -0.153 20 0 FBADRM CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC001324267019 849014571 /nfs/dbraw/zinc/01/45/71/849014571.db2.gz VLBDWHAUWHNGKV-UHFFFAOYSA-N -1 0 351.406 -0.705 20 0 FBADRM O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC001324267143 849015010 /nfs/dbraw/zinc/01/50/10/849015010.db2.gz WVMAYNQGJOSCAJ-UHFFFAOYSA-N -1 0 356.360 -0.990 20 0 FBADRM CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)[N-]OCCOC)cc1 ZINC001324274026 849015589 /nfs/dbraw/zinc/01/55/89/849015589.db2.gz FDPUHTHBTOJLSA-UHFFFAOYSA-N -1 0 359.404 -0.705 20 0 FBADRM CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC001324276452 849017001 /nfs/dbraw/zinc/01/70/01/849017001.db2.gz ZIYCEQGZRYCULV-DOMZBBRYSA-N -1 0 370.431 -0.092 20 0 FBADRM CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC001324276453 849017081 /nfs/dbraw/zinc/01/70/81/849017081.db2.gz ZIYCEQGZRYCULV-IUODEOHRSA-N -1 0 370.431 -0.092 20 0 FBADRM CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC001324276454 849017222 /nfs/dbraw/zinc/01/72/22/849017222.db2.gz ZIYCEQGZRYCULV-SWLSCSKDSA-N -1 0 370.431 -0.092 20 0 FBADRM CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC001324276540 849016716 /nfs/dbraw/zinc/01/67/16/849016716.db2.gz ZIYCEQGZRYCULV-WFASDCNBSA-N -1 0 370.431 -0.092 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2cnn(C3CCOCC3)c2)n1 ZINC001324299714 849020818 /nfs/dbraw/zinc/02/08/18/849020818.db2.gz ZQJGKWYQYOAOCX-UHFFFAOYSA-N -1 0 370.391 -0.200 20 0 FBADRM COc1ccccc1CO[N-]C(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC001324303986 849021925 /nfs/dbraw/zinc/02/19/25/849021925.db2.gz VEJMNRGZCMJOKA-AAEUAGOBSA-N -1 0 351.359 -0.608 20 0 FBADRM COc1ccccc1CO[N-]C(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC001324303987 849021469 /nfs/dbraw/zinc/02/14/69/849021469.db2.gz VEJMNRGZCMJOKA-DGCLKSJQSA-N -1 0 351.359 -0.608 20 0 FBADRM COc1ccccc1CO[N-]C(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC001324303988 849021480 /nfs/dbraw/zinc/02/14/80/849021480.db2.gz VEJMNRGZCMJOKA-WCQYABFASA-N -1 0 351.359 -0.608 20 0 FBADRM COc1ccccc1CO[N-]C(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001324303989 849021997 /nfs/dbraw/zinc/02/19/97/849021997.db2.gz VEJMNRGZCMJOKA-YPMHNXCESA-N -1 0 351.359 -0.608 20 0 FBADRM Cc1cc(NC(=O)C(=O)NCCCc2nnc(S)n2C)c(=O)n(C)c1 ZINC001324308626 849022617 /nfs/dbraw/zinc/02/26/17/849022617.db2.gz JXUNEQLBYNYURW-UHFFFAOYSA-N -1 0 364.431 -0.202 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)[C@@H]3CCNC(=O)CC3)cc12 ZINC001324320777 839237675 /nfs/dbraw/zinc/23/76/75/839237675.db2.gz CXLGVSIFHACNJS-JTQLQIEISA-N -1 0 365.415 -0.002 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)[C@H]3CCNC(=O)CC3)cc12 ZINC001324320778 839237730 /nfs/dbraw/zinc/23/77/30/839237730.db2.gz CXLGVSIFHACNJS-SNVBAGLBSA-N -1 0 365.415 -0.002 20 0 FBADRM O=C(Cn1cc(C2CC2)nn1)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC001324321191 849023240 /nfs/dbraw/zinc/02/32/40/849023240.db2.gz HJTNNSHMHQBKQG-UHFFFAOYSA-N -1 0 352.376 -0.360 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)[C@@H]3CCNC(=O)C3)cc12 ZINC001324321632 849024311 /nfs/dbraw/zinc/02/43/11/849024311.db2.gz JUDMXMLMAMSQLW-SECBINFHSA-N -1 0 351.388 -0.392 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)[C@H]3CCNC(=O)C3)cc12 ZINC001324321652 849024124 /nfs/dbraw/zinc/02/41/24/849024124.db2.gz JUDMXMLMAMSQLW-VIFPVBQESA-N -1 0 351.388 -0.392 20 0 FBADRM O=C(CCn1ccccc1=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001324321936 849024501 /nfs/dbraw/zinc/02/45/01/849024501.db2.gz MGBSCQFXXHWJTP-GFCCVEGCSA-N -1 0 366.399 -0.099 20 0 FBADRM O=C(CCn1ccccc1=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001324321937 849024375 /nfs/dbraw/zinc/02/43/75/849024375.db2.gz MGBSCQFXXHWJTP-LBPRGKRZSA-N -1 0 366.399 -0.099 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)c(C(F)(F)F)n1 ZINC001324321992 849024337 /nfs/dbraw/zinc/02/43/37/849024337.db2.gz MYAASYLRAVBORM-LURJTMIESA-N -1 0 354.310 -0.230 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)c(C(F)(F)F)n1 ZINC001324321993 849024412 /nfs/dbraw/zinc/02/44/12/849024412.db2.gz MYAASYLRAVBORM-ZCFIWIBFSA-N -1 0 354.310 -0.230 20 0 FBADRM O=C(Cn1ccccc1=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001324322949 849024460 /nfs/dbraw/zinc/02/44/60/849024460.db2.gz RABXSMOVNWTPDO-LLVKDONJSA-N -1 0 352.372 -0.489 20 0 FBADRM O=C(Cn1ccccc1=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001324322950 849024509 /nfs/dbraw/zinc/02/45/09/849024509.db2.gz RABXSMOVNWTPDO-NSHDSACASA-N -1 0 352.372 -0.489 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2)c1cnn(C)c1 ZINC001324323150 849024385 /nfs/dbraw/zinc/02/43/85/849024385.db2.gz VBJKARHMKSXXIQ-LLVKDONJSA-N -1 0 355.376 -0.408 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2)c1cnn(C)c1 ZINC001324323153 849024365 /nfs/dbraw/zinc/02/43/65/849024365.db2.gz VBJKARHMKSXXIQ-NSHDSACASA-N -1 0 355.376 -0.408 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)c1cnn(C)c1 ZINC001324323192 849024516 /nfs/dbraw/zinc/02/45/16/849024516.db2.gz VGIYQWOTUACNOS-AAEUAGOBSA-N -1 0 369.403 -0.229 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)c1cnn(C)c1 ZINC001324323195 849024541 /nfs/dbraw/zinc/02/45/41/849024541.db2.gz VGIYQWOTUACNOS-DGCLKSJQSA-N -1 0 369.403 -0.229 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)c1cnn(C)c1 ZINC001324323197 849024449 /nfs/dbraw/zinc/02/44/49/849024449.db2.gz VGIYQWOTUACNOS-WCQYABFASA-N -1 0 369.403 -0.229 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)c1cnn(C)c1 ZINC001324323202 849024150 /nfs/dbraw/zinc/02/41/50/849024150.db2.gz VGIYQWOTUACNOS-YPMHNXCESA-N -1 0 369.403 -0.229 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)[C@H]3CCNC(=O)CC3)cnc21 ZINC001324323473 849024068 /nfs/dbraw/zinc/02/40/68/849024068.db2.gz GZAFFGHXWQKTFE-SECBINFHSA-N -1 0 351.388 -0.311 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)[C@@H]3CCNC(=O)CC3)cnc21 ZINC001324323476 849024491 /nfs/dbraw/zinc/02/44/91/849024491.db2.gz GZAFFGHXWQKTFE-VIFPVBQESA-N -1 0 351.388 -0.311 20 0 FBADRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC001324324385 849024406 /nfs/dbraw/zinc/02/44/06/849024406.db2.gz KCPVCTKZVDSBGH-UHFFFAOYSA-N -1 0 354.388 -0.317 20 0 FBADRM CCN(c1ccccc1)S(=O)(=O)[N-]C(=O)CCn1ncn(C)c1=O ZINC001324325007 849025254 /nfs/dbraw/zinc/02/52/54/849025254.db2.gz MPLBBGCORKHSFJ-UHFFFAOYSA-N -1 0 353.404 -0.141 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC001324331350 849024962 /nfs/dbraw/zinc/02/49/62/849024962.db2.gz WWCQAMKNFBPXMF-UHFFFAOYSA-N -1 0 365.433 -0.773 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)[N-]OCc1ccccc1 ZINC001324338593 849025828 /nfs/dbraw/zinc/02/58/28/849025828.db2.gz VHXVTTXMQPNINV-CYBMUJFWSA-N -1 0 355.416 -0.225 20 0 FBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)[N-]OCc2ccccc2)C1 ZINC001324341620 849027108 /nfs/dbraw/zinc/02/71/08/849027108.db2.gz BCFJFFZHJWUSGM-CYBMUJFWSA-N -1 0 355.416 -0.368 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)[N-]OCc2ccccc2)C1 ZINC001324341621 849027034 /nfs/dbraw/zinc/02/70/34/849027034.db2.gz BCFJFFZHJWUSGM-ZDUSSCGKSA-N -1 0 355.416 -0.368 20 0 FBADRM O=C(C[C@H]1CCS(=O)(=O)C1)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1 ZINC001324347986 849027575 /nfs/dbraw/zinc/02/75/75/849027575.db2.gz ZLUKPQQPIHSUIT-MRVPVSSYSA-N -1 0 358.401 -0.412 20 0 FBADRM O=C(C[C@@H]1CCS(=O)(=O)C1)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1 ZINC001324347987 849027834 /nfs/dbraw/zinc/02/78/34/849027834.db2.gz ZLUKPQQPIHSUIT-QMMMGPOBSA-N -1 0 358.401 -0.412 20 0 FBADRM O=C([N-]N1CC(=O)NC1=O)c1cc(Cn2cc(Br)cn2)on1 ZINC001324354295 849028563 /nfs/dbraw/zinc/02/85/63/849028563.db2.gz ZNQRLDRSFYDBRJ-UHFFFAOYSA-N -1 0 369.135 -0.122 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)COCc2ccncc2)CC1 ZINC001324373786 849030973 /nfs/dbraw/zinc/03/09/73/849030973.db2.gz AOWBJWBUVJEVBL-UHFFFAOYSA-N -1 0 356.404 -0.877 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)C2CCN(S(C)(=O)=O)CC2)cnn1C ZINC001324373823 849030891 /nfs/dbraw/zinc/03/08/91/849030891.db2.gz BDPUBOOZAGRXER-UHFFFAOYSA-N -1 0 364.449 -0.795 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cn3c(cccc3C)n2)CC1 ZINC001324374658 849030743 /nfs/dbraw/zinc/03/07/43/849030743.db2.gz HFGFZEWZVUEEJD-UHFFFAOYSA-N -1 0 365.415 -0.219 20 0 FBADRM COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)CCn1cnccc1=O ZINC001324375349 849030679 /nfs/dbraw/zinc/03/06/79/849030679.db2.gz KQHDKVXVKAHCLQ-UHFFFAOYSA-N -1 0 371.396 -0.013 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCn2cnccc2=O)cc1 ZINC001324376862 849031978 /nfs/dbraw/zinc/03/19/78/849031978.db2.gz SRONMYPRCNJPJT-UHFFFAOYSA-N -1 0 364.383 -0.502 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cn(CC2(C)COC2)nn1 ZINC001324377635 849032026 /nfs/dbraw/zinc/03/20/26/849032026.db2.gz XMRJEYUCFCNROR-UHFFFAOYSA-N -1 0 354.392 -0.525 20 0 FBADRM CO[N-]C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC001324382787 849033029 /nfs/dbraw/zinc/03/30/29/849033029.db2.gz MYRRNGUYTUYEAC-UHFFFAOYSA-N -1 0 373.387 -0.668 20 0 FBADRM COc1ccccc1CO[N-]C(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC001324390856 849033525 /nfs/dbraw/zinc/03/35/25/849033525.db2.gz AURUMDUTJQNSSX-UHFFFAOYSA-N -1 0 371.415 -0.561 20 0 FBADRM NS(=O)(=O)C1CCN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CC1 ZINC001324395445 849035262 /nfs/dbraw/zinc/03/52/62/849035262.db2.gz FZZDNPGYSVLMHH-UHFFFAOYSA-N -1 0 352.372 -0.077 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)CO[C@@H]3CCOC3)cc2C1=O ZINC001324397189 849035147 /nfs/dbraw/zinc/03/51/47/849035147.db2.gz MOIVHJLYNULBDX-SECBINFHSA-N -1 0 368.367 -0.477 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)CO[C@H]3CCOC3)cc2C1=O ZINC001324397190 849035301 /nfs/dbraw/zinc/03/53/01/849035301.db2.gz MOIVHJLYNULBDX-VIFPVBQESA-N -1 0 368.367 -0.477 20 0 FBADRM CS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1 ZINC001324430028 849040207 /nfs/dbraw/zinc/04/02/07/849040207.db2.gz UJDPEMCQLYQGFU-LLVKDONJSA-N -1 0 355.351 -0.044 20 0 FBADRM CS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1 ZINC001324430029 849040044 /nfs/dbraw/zinc/04/00/44/849040044.db2.gz UJDPEMCQLYQGFU-NSHDSACASA-N -1 0 355.351 -0.044 20 0 FBADRM COCCO[N-]C(=O)C(=O)N[C@H](C)CCNS(=O)(=O)c1ccccc1 ZINC001324431180 849040351 /nfs/dbraw/zinc/04/03/51/849040351.db2.gz HVGHDUICNZRLJU-GFCCVEGCSA-N -1 0 373.431 -0.446 20 0 FBADRM COCCO[N-]C(=O)C(=O)N[C@@H](C)CCNS(=O)(=O)c1ccccc1 ZINC001324431181 849040513 /nfs/dbraw/zinc/04/05/13/849040513.db2.gz HVGHDUICNZRLJU-LBPRGKRZSA-N -1 0 373.431 -0.446 20 0 FBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2ncccc2C(=O)N(C)C)C1 ZINC001324446347 849041972 /nfs/dbraw/zinc/04/19/72/849041972.db2.gz JRIFPPPKXFRNIY-UHFFFAOYSA-N -1 0 354.388 -0.933 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)c1 ZINC001324447527 849041959 /nfs/dbraw/zinc/04/19/59/849041959.db2.gz RCQTYAYSYSZODN-LLVKDONJSA-N -1 0 371.415 -0.040 20 0 FBADRM CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)c1 ZINC001324447529 849041703 /nfs/dbraw/zinc/04/17/03/849041703.db2.gz RCQTYAYSYSZODN-NSHDSACASA-N -1 0 371.415 -0.040 20 0 FBADRM O=C([N-]OC1CCOCC1)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC001324461806 849044448 /nfs/dbraw/zinc/04/44/48/849044448.db2.gz JNZLGBGVCFJJSS-UHFFFAOYSA-N -1 0 353.350 -0.102 20 0 FBADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC001324463277 849044512 /nfs/dbraw/zinc/04/45/12/849044512.db2.gz TYPJPPMHWFNJIU-MRVPVSSYSA-N -1 0 363.399 -0.298 20 0 FBADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC001324463281 849045473 /nfs/dbraw/zinc/04/54/73/849045473.db2.gz TYPJPPMHWFNJIU-QMMMGPOBSA-N -1 0 363.399 -0.298 20 0 FBADRM O=C1NCCCN1[N-]S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC001324465185 849045128 /nfs/dbraw/zinc/04/51/28/849045128.db2.gz KVBIURQUIIADJU-UHFFFAOYSA-N -1 0 374.444 -0.165 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)CN(C)C(=O)C1CC1 ZINC001324480254 849047468 /nfs/dbraw/zinc/04/74/68/849047468.db2.gz SRIODGFTNQIDFK-UHFFFAOYSA-N -1 0 368.415 -0.543 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N(C)[C@@H]2CCNC2=O)c1 ZINC001324502633 849048838 /nfs/dbraw/zinc/04/88/38/849048838.db2.gz QXPPAKPLRNJDIC-CYBMUJFWSA-N -1 0 368.415 -0.023 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N(C)[C@H]2CCNC2=O)c1 ZINC001324502634 849048982 /nfs/dbraw/zinc/04/89/82/849048982.db2.gz QXPPAKPLRNJDIC-ZDUSSCGKSA-N -1 0 368.415 -0.023 20 0 FBADRM O=C1NC(=O)C2(CCN(CC3=Nc4ccccc4S(=O)(=O)[N-]3)CC2)N1 ZINC001324521418 849050743 /nfs/dbraw/zinc/05/07/43/849050743.db2.gz VXIUTBABLNLQBJ-UHFFFAOYSA-N -1 0 363.399 -0.318 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)c2ncccc2F)CC1 ZINC001324529792 849051523 /nfs/dbraw/zinc/05/15/23/849051523.db2.gz ISJVNFDMQARILM-UHFFFAOYSA-N -1 0 365.408 -0.303 20 0 FBADRM Cn1cnnc1COCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC001324542253 849053651 /nfs/dbraw/zinc/05/36/51/849053651.db2.gz QANXCCZVEGQVOF-UHFFFAOYSA-N -1 0 352.372 -0.228 20 0 FBADRM Cc1cnc(COCC(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)o1 ZINC001324542325 849053675 /nfs/dbraw/zinc/05/36/75/849053675.db2.gz SBDWREXRVSFTNY-UHFFFAOYSA-N -1 0 356.360 -0.016 20 0 FBADRM CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)n1 ZINC001324542594 849053790 /nfs/dbraw/zinc/05/37/90/849053790.db2.gz SVJDDVRYFSPECR-UHFFFAOYSA-N -1 0 365.371 -0.461 20 0 FBADRM CS(=O)(=O)C1(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)CCOCC1 ZINC001324552113 849055814 /nfs/dbraw/zinc/05/58/14/849055814.db2.gz FSEDYWOVXRWOPK-UHFFFAOYSA-N -1 0 367.387 -0.100 20 0 FBADRM Cn1c(C(=O)[N-]S(=O)(=O)C(C)(C)C)cc2c1n(C)c(=O)n(C)c2=O ZINC001324552853 849055317 /nfs/dbraw/zinc/05/53/17/849055317.db2.gz OCQIDZPZMPFBGH-UHFFFAOYSA-N -1 0 356.404 -0.566 20 0 FBADRM O=C(CN1CCSC1=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001324553236 849055855 /nfs/dbraw/zinc/05/58/55/849055855.db2.gz PGSHJLHCEZIZPH-SECBINFHSA-N -1 0 360.417 -0.182 20 0 FBADRM O=C(CN1CCSC1=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001324553237 849055186 /nfs/dbraw/zinc/05/51/86/849055186.db2.gz PGSHJLHCEZIZPH-VIFPVBQESA-N -1 0 360.417 -0.182 20 0 FBADRM O=C(Cn1cc(C2CC2)nn1)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001324554045 849055441 /nfs/dbraw/zinc/05/54/41/849055441.db2.gz UTBOUICCYFXPGL-LLVKDONJSA-N -1 0 366.403 -0.182 20 0 FBADRM O=C(Cn1cc(C2CC2)nn1)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001324554046 849055464 /nfs/dbraw/zinc/05/54/64/849055464.db2.gz UTBOUICCYFXPGL-NSHDSACASA-N -1 0 366.403 -0.182 20 0 FBADRM Cn1nccc1COCC(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001324554063 849055531 /nfs/dbraw/zinc/05/55/31/849055531.db2.gz UVYJRZYYHFYELH-GFCCVEGCSA-N -1 0 369.403 -0.400 20 0 FBADRM Cn1nccc1COCC(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001324554064 849055399 /nfs/dbraw/zinc/05/53/99/849055399.db2.gz UVYJRZYYHFYELH-LBPRGKRZSA-N -1 0 369.403 -0.400 20 0 FBADRM CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001324564505 849057114 /nfs/dbraw/zinc/05/71/14/849057114.db2.gz SJZBNYLYLRZMIT-NXEZZACHSA-N -1 0 364.445 -0.980 20 0 FBADRM CC1(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001324564506 849056994 /nfs/dbraw/zinc/05/69/94/849056994.db2.gz SJZBNYLYLRZMIT-UWVGGRQHSA-N -1 0 364.445 -0.980 20 0 FBADRM CC1(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001324564507 849057137 /nfs/dbraw/zinc/05/71/37/849057137.db2.gz SJZBNYLYLRZMIT-VHSXEESVSA-N -1 0 364.445 -0.980 20 0 FBADRM CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001324564508 849056905 /nfs/dbraw/zinc/05/69/05/849056905.db2.gz SJZBNYLYLRZMIT-ZJUUUORDSA-N -1 0 364.445 -0.980 20 0 FBADRM CS(=O)(=O)Cc1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC001324571736 849058215 /nfs/dbraw/zinc/05/82/15/849058215.db2.gz LPJGLXGVRAYZSU-UHFFFAOYSA-N -1 0 361.401 -0.572 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)Cc1ccccc1S(C)(=O)=O ZINC001324610142 849061664 /nfs/dbraw/zinc/06/16/64/849061664.db2.gz FETNXDDAIBDARJ-UHFFFAOYSA-N -1 0 357.413 -0.129 20 0 FBADRM COCC1(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)CCOCC1 ZINC001324611544 849061602 /nfs/dbraw/zinc/06/16/02/849061602.db2.gz LYULTYXXKCTKAI-UHFFFAOYSA-N -1 0 359.404 -0.628 20 0 FBADRM O=C(Cn1cc(NC(=O)C(=O)[N-]OC/C=C/Cl)cn1)N1CCOCC1 ZINC001324612886 849061142 /nfs/dbraw/zinc/06/11/42/849061142.db2.gz YILVRFTUHYRHKO-OWOJBTEDSA-N -1 0 371.781 -0.519 20 0 FBADRM O=C(Cn1cc(NC(=O)C(=O)[N-]OC/C=C\Cl)cn1)N1CCOCC1 ZINC001324612888 849061488 /nfs/dbraw/zinc/06/14/88/849061488.db2.gz YILVRFTUHYRHKO-UPHRSURJSA-N -1 0 371.781 -0.519 20 0 FBADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)Cc1nc2ncccn2n1 ZINC001324618081 849062953 /nfs/dbraw/zinc/06/29/53/849062953.db2.gz CICXKBWHVOUGPV-UHFFFAOYSA-N -1 0 355.376 -0.688 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001324618885 849062803 /nfs/dbraw/zinc/06/28/03/849062803.db2.gz OZWOAFHAXQQXJP-UHFFFAOYSA-N -1 0 354.450 -0.717 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC001324624601 849063554 /nfs/dbraw/zinc/06/35/54/849063554.db2.gz IQRBCQGCFAZCCT-UHFFFAOYSA-N -1 0 374.463 -0.504 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc2c1CCC2 ZINC001324647234 849064843 /nfs/dbraw/zinc/06/48/43/849064843.db2.gz SBHYRFXIZGXCQD-GFCCVEGCSA-N -1 0 354.384 -0.252 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc2c1CCC2 ZINC001324647235 849065340 /nfs/dbraw/zinc/06/53/40/849065340.db2.gz SBHYRFXIZGXCQD-LBPRGKRZSA-N -1 0 354.384 -0.252 20 0 FBADRM Cn1c2ccccc2n(CC(=O)[N-]S(=O)(=O)C2CCOCC2)c1=O ZINC001324718332 849070434 /nfs/dbraw/zinc/07/04/34/849070434.db2.gz QUTHKROEIBHYJC-UHFFFAOYSA-N -1 0 353.400 -0.035 20 0 FBADRM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)[N-]S(=O)(=O)C1CCOCC1 ZINC001324718560 849070005 /nfs/dbraw/zinc/07/00/05/849070005.db2.gz YWVOXZCAGMXAQN-RYUDHWBXSA-N -1 0 358.416 -0.213 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[N-]S(=O)(=O)C1CCOCC1 ZINC001324718562 849070202 /nfs/dbraw/zinc/07/02/02/849070202.db2.gz YWVOXZCAGMXAQN-TXEJJXNPSA-N -1 0 358.416 -0.213 20 0 FBADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ccc(I)cn1 ZINC001324735967 849071425 /nfs/dbraw/zinc/07/14/25/849071425.db2.gz LBOXCOLHYCIADH-UHFFFAOYSA-N -1 0 373.114 -0.546 20 0 FBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 ZINC001324811878 849076835 /nfs/dbraw/zinc/07/68/35/849076835.db2.gz UJMZBFUTPJRGJK-NXEZZACHSA-N -1 0 367.431 -0.440 20 0 FBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 ZINC001324811880 849076981 /nfs/dbraw/zinc/07/69/81/849076981.db2.gz UJMZBFUTPJRGJK-UWVGGRQHSA-N -1 0 367.431 -0.440 20 0 FBADRM C[C@H]([C@H](C)N(C)C(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2)S(C)(=O)=O ZINC001324811882 849077130 /nfs/dbraw/zinc/07/71/30/849077130.db2.gz UJMZBFUTPJRGJK-VHSXEESVSA-N -1 0 367.431 -0.440 20 0 FBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 ZINC001324811884 849076855 /nfs/dbraw/zinc/07/68/55/849076855.db2.gz UJMZBFUTPJRGJK-ZJUUUORDSA-N -1 0 367.431 -0.440 20 0 FBADRM Cc1c(CC(=O)[N-]S(=O)(=O)c2ccc(CNC(N)=O)cc2)cnn1C ZINC001324822225 849077791 /nfs/dbraw/zinc/07/77/91/849077791.db2.gz HWAUIQXAXIVRKG-UHFFFAOYSA-N -1 0 365.415 -0.056 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCc2cn(C)nc2C)CC1 ZINC001324822424 849077846 /nfs/dbraw/zinc/07/78/46/849077846.db2.gz JATJPURNTXHXGN-UHFFFAOYSA-N -1 0 357.436 -0.814 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCc2nnc(C(C)C)o2)CC1 ZINC001324822435 849077884 /nfs/dbraw/zinc/07/78/84/849077884.db2.gz JEFMIZUJVHWFBG-UHFFFAOYSA-N -1 0 373.435 -0.349 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)Cn2ncc3ccccc3c2=O)cnn1C ZINC001324824053 849077834 /nfs/dbraw/zinc/07/78/34/849077834.db2.gz QEERZKGBTOSPBC-UHFFFAOYSA-N -1 0 361.383 -0.056 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCCC2 ZINC001324824112 849078045 /nfs/dbraw/zinc/07/80/45/849078045.db2.gz SCFIDJXLNDEIPY-UHFFFAOYSA-N -1 0 368.419 -0.682 20 0 FBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)o1 ZINC001324824367 849078020 /nfs/dbraw/zinc/07/80/20/849078020.db2.gz VTZABKBQPIMCJW-UHFFFAOYSA-N -1 0 359.360 -0.795 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)CCc1ccn(C)n1 ZINC001324824386 849077867 /nfs/dbraw/zinc/07/78/67/849077867.db2.gz WGDZCSXIMOPOHW-UHFFFAOYSA-N -1 0 365.415 -0.045 20 0 FBADRM Cc1c(CC(=O)[N-]S(=O)(=O)c2ncccc2C(=O)N(C)C)cnn1C ZINC001324824396 849077917 /nfs/dbraw/zinc/07/79/17/849077917.db2.gz WNUHLUHTPMTOCU-UHFFFAOYSA-N -1 0 365.415 -0.127 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O ZINC001324848657 849079438 /nfs/dbraw/zinc/07/94/38/849079438.db2.gz FIXYYXPTTPUUGA-UHFFFAOYSA-N -1 0 374.444 -0.385 20 0 FBADRM COCCn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)C(F)F)CC2=O)cn1 ZINC001324849293 849079609 /nfs/dbraw/zinc/07/96/09/849079609.db2.gz PWOLRPCQRSMBPH-MRVPVSSYSA-N -1 0 366.346 -0.449 20 0 FBADRM COCCn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)C(F)F)CC2=O)cn1 ZINC001324849295 849079593 /nfs/dbraw/zinc/07/95/93/849079593.db2.gz PWOLRPCQRSMBPH-QMMMGPOBSA-N -1 0 366.346 -0.449 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC[S@](=O)C1 ZINC001324859845 849081059 /nfs/dbraw/zinc/08/10/59/849081059.db2.gz ZQYYCSSWMKJMKP-FHOATMSYSA-N -1 0 372.428 -0.175 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC[S@@](=O)C1 ZINC001324859846 849081087 /nfs/dbraw/zinc/08/10/87/849081087.db2.gz ZQYYCSSWMKJMKP-JRSYYBBYSA-N -1 0 372.428 -0.175 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC[S@](=O)C1 ZINC001324859847 849081131 /nfs/dbraw/zinc/08/11/31/849081131.db2.gz ZQYYCSSWMKJMKP-MEFFNOMFSA-N -1 0 372.428 -0.175 20 0 FBADRM C[C@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC[S@@](=O)C1 ZINC001324859848 849081268 /nfs/dbraw/zinc/08/12/68/849081268.db2.gz ZQYYCSSWMKJMKP-OTHYDSGKSA-N -1 0 372.428 -0.175 20 0 FBADRM COCCO[N-]C(=O)C(=O)NC[C@H]1CC(c2ccc(OC)cc2)=NO1 ZINC001324869502 849081944 /nfs/dbraw/zinc/08/19/44/849081944.db2.gz VZMITTSNZZSPCV-CYBMUJFWSA-N -1 0 351.359 -0.001 20 0 FBADRM COCCO[N-]C(=O)C(=O)NC[C@@H]1CC(c2ccc(OC)cc2)=NO1 ZINC001324869504 849081836 /nfs/dbraw/zinc/08/18/36/849081836.db2.gz VZMITTSNZZSPCV-ZDUSSCGKSA-N -1 0 351.359 -0.001 20 0 FBADRM COC(=O)c1cncc(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)c1 ZINC001324873553 849082898 /nfs/dbraw/zinc/08/28/98/849082898.db2.gz JGZZGGXFHXHBGG-UHFFFAOYSA-N -1 0 368.375 -0.651 20 0 FBADRM CN(CC(=O)N[C@@H](c1nnn[n-]1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001324874733 849083043 /nfs/dbraw/zinc/08/30/43/849083043.db2.gz NFFRWGYVVACWIE-GXTWGEPZSA-N -1 0 364.431 -0.476 20 0 FBADRM CN(CC(=O)N[C@H](c1nnn[n-]1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001324874735 849082757 /nfs/dbraw/zinc/08/27/57/849082757.db2.gz NFFRWGYVVACWIE-JSGCOSHPSA-N -1 0 364.431 -0.476 20 0 FBADRM CN(CC(=O)N[C@H](c1nnn[n-]1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001324874737 849083075 /nfs/dbraw/zinc/08/30/75/849083075.db2.gz NFFRWGYVVACWIE-OCCSQVGLSA-N -1 0 364.431 -0.476 20 0 FBADRM CN(CC(=O)N[C@@H](c1nnn[n-]1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001324874738 849082706 /nfs/dbraw/zinc/08/27/06/849082706.db2.gz NFFRWGYVVACWIE-TZMCWYRMSA-N -1 0 364.431 -0.476 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC001324885973 849084743 /nfs/dbraw/zinc/08/47/43/849084743.db2.gz JEVNPRKKJOSNDA-UHFFFAOYSA-N -1 0 351.359 -0.208 20 0 FBADRM C[C@H](C(=O)N1CCC[C@@H](c2nnn[n-]2)C1)S(=O)(=O)C1CCOCC1 ZINC001324890817 849084838 /nfs/dbraw/zinc/08/48/38/849084838.db2.gz QEWCZKDXZKSNOT-GHMZBOCLSA-N -1 0 357.436 -0.112 20 0 FBADRM C[C@H](C(=O)N1CCC[C@H](c2nnn[n-]2)C1)S(=O)(=O)C1CCOCC1 ZINC001324890822 849085050 /nfs/dbraw/zinc/08/50/50/849085050.db2.gz QEWCZKDXZKSNOT-MNOVXSKESA-N -1 0 357.436 -0.112 20 0 FBADRM C[C@@H](C(=O)N1CCC[C@H](c2nnn[n-]2)C1)S(=O)(=O)C1CCOCC1 ZINC001324890826 849084970 /nfs/dbraw/zinc/08/49/70/849084970.db2.gz QEWCZKDXZKSNOT-QWRGUYRKSA-N -1 0 357.436 -0.112 20 0 FBADRM C[C@@H](C(=O)N1CCC[C@@H](c2nnn[n-]2)C1)S(=O)(=O)C1CCOCC1 ZINC001324890828 849084892 /nfs/dbraw/zinc/08/48/92/849084892.db2.gz QEWCZKDXZKSNOT-WDEREUQCSA-N -1 0 357.436 -0.112 20 0 FBADRM COc1ccc(S(=O)(=O)CCC(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC001324899152 849085973 /nfs/dbraw/zinc/08/59/73/849085973.db2.gz ZXFCPYCVTFJEDI-UHFFFAOYSA-N -1 0 355.372 -0.106 20 0 FBADRM COCCCOCC(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C ZINC001324924749 849087256 /nfs/dbraw/zinc/08/72/56/849087256.db2.gz XJLWOGAVADGNMZ-UHFFFAOYSA-N -1 0 359.404 -0.359 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1(C(=O)[O-])CC1 ZINC001324940588 849089197 /nfs/dbraw/zinc/08/91/97/849089197.db2.gz LFINEGDONCSLFH-UHFFFAOYSA-N -1 0 357.388 -0.607 20 0 FBADRM C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCc1nc(=O)o[n-]1 ZINC001324954863 849090640 /nfs/dbraw/zinc/09/06/40/849090640.db2.gz SJCLHAWOKZUOBO-GFCCVEGCSA-N -1 0 362.264 -0.389 20 0 FBADRM C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCc1nc(=O)o[n-]1 ZINC001324954864 849090730 /nfs/dbraw/zinc/09/07/30/849090730.db2.gz SJCLHAWOKZUOBO-LBPRGKRZSA-N -1 0 362.264 -0.389 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001324994343 849094806 /nfs/dbraw/zinc/09/48/06/849094806.db2.gz GYKYINDLPJCUCN-JTQLQIEISA-N -1 0 355.434 -0.400 20 0 FBADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001324994344 849094585 /nfs/dbraw/zinc/09/45/85/849094585.db2.gz GYKYINDLPJCUCN-SNVBAGLBSA-N -1 0 355.434 -0.400 20 0 FBADRM Cn1cnnc1COCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC001324994718 849094781 /nfs/dbraw/zinc/09/47/81/849094781.db2.gz IKPGUTXUFVCVRJ-UHFFFAOYSA-N -1 0 354.344 -0.435 20 0 FBADRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)COCc1nncn1C ZINC001324994902 849094707 /nfs/dbraw/zinc/09/47/07/849094707.db2.gz LDQSZYCNSODKSN-UHFFFAOYSA-N -1 0 370.435 -0.305 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)COCc2nncn2C)s1 ZINC001324995069 849094815 /nfs/dbraw/zinc/09/48/15/849094815.db2.gz NXXMFVGTNYNQBZ-UHFFFAOYSA-N -1 0 374.400 -0.315 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)CC2)nc1 ZINC001324995299 849094685 /nfs/dbraw/zinc/09/46/85/849094685.db2.gz OQNJLNQGBPRFQO-JTQLQIEISA-N -1 0 369.399 -0.021 20 0 FBADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)CC2)nc1 ZINC001324995300 849095301 /nfs/dbraw/zinc/09/53/01/849095301.db2.gz OQNJLNQGBPRFQO-SNVBAGLBSA-N -1 0 369.399 -0.021 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)nnn1-c1ccn(C)n1 ZINC001324995727 849095755 /nfs/dbraw/zinc/09/57/55/849095755.db2.gz WFGYYQOKGSKOOR-JTQLQIEISA-N -1 0 354.392 -0.595 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)nnn1-c1ccn(C)n1 ZINC001324995728 849095487 /nfs/dbraw/zinc/09/54/87/849095487.db2.gz WFGYYQOKGSKOOR-SNVBAGLBSA-N -1 0 354.392 -0.595 20 0 FBADRM C[C@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)C1CCOCC1)n1cccn1 ZINC001324995951 849095681 /nfs/dbraw/zinc/09/56/81/849095681.db2.gz YVJFCVBMDXKPBD-LLVKDONJSA-N -1 0 358.420 -0.473 20 0 FBADRM C[C@@H](C(=O)N(C)CC(=O)[N-]S(=O)(=O)C1CCOCC1)n1cccn1 ZINC001324995953 849095667 /nfs/dbraw/zinc/09/56/67/849095667.db2.gz YVJFCVBMDXKPBD-NSHDSACASA-N -1 0 358.420 -0.473 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CC(CC(N)=O)C2)c1 ZINC001325003763 849096327 /nfs/dbraw/zinc/09/63/27/849096327.db2.gz HMLGTOXKDQXHKX-UHFFFAOYSA-N -1 0 368.415 -0.036 20 0 FBADRM O=C(CCN1CCCC1=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001325010607 849096431 /nfs/dbraw/zinc/09/64/31/849096431.db2.gz LLTYPDDDNINPMP-LLVKDONJSA-N -1 0 356.404 -0.338 20 0 FBADRM O=C(CCN1CCCC1=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001325010610 849096547 /nfs/dbraw/zinc/09/65/47/849096547.db2.gz LLTYPDDDNINPMP-NSHDSACASA-N -1 0 356.404 -0.338 20 0 FBADRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC001325011754 849096453 /nfs/dbraw/zinc/09/64/53/849096453.db2.gz SZDXSSGDQZYYPN-NEPJUHHUSA-N -1 0 370.431 -0.092 20 0 FBADRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC001325011756 849096022 /nfs/dbraw/zinc/09/60/22/849096022.db2.gz SZDXSSGDQZYYPN-NWDGAFQWSA-N -1 0 370.431 -0.092 20 0 FBADRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC001325011758 849096416 /nfs/dbraw/zinc/09/64/16/849096416.db2.gz SZDXSSGDQZYYPN-RYUDHWBXSA-N -1 0 370.431 -0.092 20 0 FBADRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC001325011759 849096103 /nfs/dbraw/zinc/09/61/03/849096103.db2.gz SZDXSSGDQZYYPN-VXGBXAGGSA-N -1 0 370.431 -0.092 20 0 FBADRM COCCOCC(=O)NC1CCC(C(=O)[N-]S(=O)(=O)C(F)F)CC1 ZINC001325025092 849098326 /nfs/dbraw/zinc/09/83/26/849098326.db2.gz DTZUSMVGRFCGRI-UHFFFAOYSA-N -1 0 372.390 -0.007 20 0 FBADRM CN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001325028398 849098429 /nfs/dbraw/zinc/09/84/29/849098429.db2.gz MORIOTHVYSESML-SECBINFHSA-N -1 0 367.387 -0.458 20 0 FBADRM CN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001325028400 849098221 /nfs/dbraw/zinc/09/82/21/849098221.db2.gz MORIOTHVYSESML-VIFPVBQESA-N -1 0 367.387 -0.458 20 0 FBADRM COc1ccc(NC(=O)C(=O)[N-]OCCSC)cc1OCC(N)=O ZINC001325047547 849101102 /nfs/dbraw/zinc/10/11/02/849101102.db2.gz WSHVKRDEYXWUSW-UHFFFAOYSA-N -1 0 357.388 -0.091 20 0 FBADRM O=C(CCS(=O)(=O)C1CCCC1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001325105215 849109094 /nfs/dbraw/zinc/10/90/94/849109094.db2.gz YYJNNSISXWWRNC-UHFFFAOYSA-N -1 0 357.436 -0.243 20 0 FBADRM CN(CCNS(C)(=O)=O)C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC001325156916 849115059 /nfs/dbraw/zinc/11/50/59/849115059.db2.gz JCFSRBZMDGKPCN-UHFFFAOYSA-N -1 0 370.456 -0.307 20 0 FBADRM Cn1ccnc1CN1CCC(C(=O)NCCC(=O)[N-]S(C)(=O)=O)CC1 ZINC001325186082 849119324 /nfs/dbraw/zinc/11/93/24/849119324.db2.gz XCTHCBXLJFFVOS-UHFFFAOYSA-N -1 0 371.463 -0.786 20 0 FBADRM Cc1c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cnn1-c1ccncc1 ZINC001325186594 849119617 /nfs/dbraw/zinc/11/96/17/849119617.db2.gz AIDZYHHLMDTCLQ-UHFFFAOYSA-N -1 0 351.388 -0.229 20 0 FBADRM Cc1ncc(Br)c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC001325188773 849120220 /nfs/dbraw/zinc/12/02/20/849120220.db2.gz XZFPJLWPASLCDA-UHFFFAOYSA-N -1 0 365.209 -0.257 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N1C ZINC001325241976 849125869 /nfs/dbraw/zinc/12/58/69/849125869.db2.gz YEDZBNVUGMUYLT-JTQLQIEISA-N -1 0 354.388 -0.791 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC001325250109 849127121 /nfs/dbraw/zinc/12/71/21/849127121.db2.gz XABUQQLFCHWXJX-LLVKDONJSA-N -1 0 369.399 -0.058 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC001325250110 849127012 /nfs/dbraw/zinc/12/70/12/849127012.db2.gz XABUQQLFCHWXJX-NSHDSACASA-N -1 0 369.399 -0.058 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cnn3ccncc23)CC1 ZINC001325262952 849128190 /nfs/dbraw/zinc/12/81/90/849128190.db2.gz SARYCCRAHYWPAR-UHFFFAOYSA-N -1 0 367.387 -0.411 20 0 FBADRM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCn2ccnn2)c1 ZINC001325263631 849128038 /nfs/dbraw/zinc/12/80/38/849128038.db2.gz WFZGOWKZTCAFCY-UHFFFAOYSA-N -1 0 351.388 -0.125 20 0 FBADRM C[C@H](NC(=O)c1s[n-]c(=O)c1Cl)C(=O)N1CCS(=O)(=O)CC1 ZINC001325291199 849130942 /nfs/dbraw/zinc/13/09/42/849130942.db2.gz QOSKKEPHSIECFV-LURJTMIESA-N -1 0 367.836 -0.123 20 0 FBADRM C[C@@H](NC(=O)c1s[n-]c(=O)c1Cl)C(=O)N1CCS(=O)(=O)CC1 ZINC001325291200 849130919 /nfs/dbraw/zinc/13/09/19/849130919.db2.gz QOSKKEPHSIECFV-ZCFIWIBFSA-N -1 0 367.836 -0.123 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CC1 ZINC001325291666 849130960 /nfs/dbraw/zinc/13/09/60/849130960.db2.gz RAKKFUMFWVUZLH-LLVKDONJSA-N -1 0 357.436 -0.112 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CC1 ZINC001325291667 849130839 /nfs/dbraw/zinc/13/08/39/849130839.db2.gz RAKKFUMFWVUZLH-NSHDSACASA-N -1 0 357.436 -0.112 20 0 FBADRM C[C@H](C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)S(=O)(=O)C1CCOCC1 ZINC001325303033 849131695 /nfs/dbraw/zinc/13/16/95/849131695.db2.gz MHCFFDUZYNQTJC-SECBINFHSA-N -1 0 372.403 -0.658 20 0 FBADRM C[C@@H](C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)S(=O)(=O)C1CCOCC1 ZINC001325303034 849131879 /nfs/dbraw/zinc/13/18/79/849131879.db2.gz MHCFFDUZYNQTJC-VIFPVBQESA-N -1 0 372.403 -0.658 20 0 FBADRM CC(=O)N1CCC(NC(=O)CN2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CC1 ZINC001325345534 849135114 /nfs/dbraw/zinc/13/51/14/849135114.db2.gz MCIHKXKCNOTKLD-GFCCVEGCSA-N -1 0 350.423 -0.183 20 0 FBADRM CC(=O)N1CCC(NC(=O)CN2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CC1 ZINC001325345535 849134990 /nfs/dbraw/zinc/13/49/90/849134990.db2.gz MCIHKXKCNOTKLD-LBPRGKRZSA-N -1 0 350.423 -0.183 20 0 FBADRM CCCN(CC(=O)[O-])CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001325375692 849137688 /nfs/dbraw/zinc/13/76/88/849137688.db2.gz FTFPSXLABZZAHE-UHFFFAOYSA-N -1 0 357.432 -0.211 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCC(=O)N1 ZINC001325393645 849139011 /nfs/dbraw/zinc/13/90/11/849139011.db2.gz UMHAYPZVHAVAGK-SSDOTTSWSA-N -1 0 361.401 -0.207 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCC(=O)N1 ZINC001325393646 849138975 /nfs/dbraw/zinc/13/89/75/849138975.db2.gz UMHAYPZVHAVAGK-ZETCQYMHSA-N -1 0 361.401 -0.207 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC001325434873 849143143 /nfs/dbraw/zinc/14/31/43/849143143.db2.gz KMQZVUSZZDSLNG-UHFFFAOYSA-N -1 0 353.404 -0.113 20 0 FBADRM Cn1cc(-n2cc(C(=O)[N-]S(=O)(=O)C3CCOCC3)ccc2=O)cn1 ZINC001325436062 849143742 /nfs/dbraw/zinc/14/37/42/849143742.db2.gz ZNTYEWFKALRJFK-UHFFFAOYSA-N -1 0 366.399 -0.190 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC001325451393 849144393 /nfs/dbraw/zinc/14/43/93/849144393.db2.gz ATMWWHHLKYNEPL-UHFFFAOYSA-N -1 0 367.493 -0.235 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC001325529643 849153561 /nfs/dbraw/zinc/15/35/61/849153561.db2.gz HOMHFDXFJFURPI-UHFFFAOYSA-N -1 0 350.418 -0.148 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC001325553322 849156032 /nfs/dbraw/zinc/15/60/32/849156032.db2.gz NDUXWPYCKWDYAV-QMMMGPOBSA-N -1 0 364.324 -0.110 20 0 FBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)c2ncccc2C(=O)N(C)C)CC1 ZINC001325567622 849156865 /nfs/dbraw/zinc/15/68/65/849156865.db2.gz QPIJRGULVRXKFC-UHFFFAOYSA-N -1 0 355.372 -0.459 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NCCNC(=O)c1ccccc1F ZINC001325572089 849157817 /nfs/dbraw/zinc/15/78/17/849157817.db2.gz YDRYVMPHFNTFNA-LLVKDONJSA-N -1 0 353.350 -0.244 20 0 FBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NCCNC(=O)c1ccccc1F ZINC001325572090 849157958 /nfs/dbraw/zinc/15/79/58/849157958.db2.gz YDRYVMPHFNTFNA-NSHDSACASA-N -1 0 353.350 -0.244 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001325586781 849158626 /nfs/dbraw/zinc/15/86/26/849158626.db2.gz DQSBSAKQNPLKDW-MRVPVSSYSA-N -1 0 361.342 -0.473 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)C(=O)[N-]OCCC(F)(F)F)CC1 ZINC001325593472 849159739 /nfs/dbraw/zinc/15/97/39/849159739.db2.gz FWKUWPMXVQIICX-UHFFFAOYSA-N -1 0 354.329 -0.687 20 0 FBADRM CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)[N-]OCCC(F)(F)F)C1 ZINC001325599329 849160549 /nfs/dbraw/zinc/16/05/49/849160549.db2.gz GIYFDWNRQBAVAN-MRVPVSSYSA-N -1 0 361.342 -0.616 20 0 FBADRM CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)[N-]OCCC(F)(F)F)C1 ZINC001325599331 849160639 /nfs/dbraw/zinc/16/06/39/849160639.db2.gz GIYFDWNRQBAVAN-QMMMGPOBSA-N -1 0 361.342 -0.616 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)CO[C@@H]1CCOC1 ZINC001325600431 849160353 /nfs/dbraw/zinc/16/03/53/849160353.db2.gz JSWTYHPFGUPUBZ-SSDOTTSWSA-N -1 0 350.374 -0.460 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)CO[C@H]1CCOC1 ZINC001325600433 849160452 /nfs/dbraw/zinc/16/04/52/849160452.db2.gz JSWTYHPFGUPUBZ-ZETCQYMHSA-N -1 0 350.374 -0.460 20 0 FBADRM COCCO[N-]C(=O)C(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001325671646 849166458 /nfs/dbraw/zinc/16/64/58/849166458.db2.gz RYOFQEUUXWFUEV-SECBINFHSA-N -1 0 357.313 -0.120 20 0 FBADRM COCCO[N-]C(=O)C(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001325671648 849167263 /nfs/dbraw/zinc/16/72/63/849167263.db2.gz RYOFQEUUXWFUEV-VIFPVBQESA-N -1 0 357.313 -0.120 20 0 FBADRM Cc1cc(N2CCC(NC(=O)C(=O)[N-]OC[C@@H]3CCOC3)CC2)n[nH]1 ZINC001325677809 849168346 /nfs/dbraw/zinc/16/83/46/849168346.db2.gz KKFYWRCAGAXSJL-GFCCVEGCSA-N -1 0 351.407 -0.113 20 0 FBADRM Cc1cc(N2CCC(NC(=O)C(=O)[N-]OC[C@H]3CCOC3)CC2)n[nH]1 ZINC001325677810 849168150 /nfs/dbraw/zinc/16/81/50/849168150.db2.gz KKFYWRCAGAXSJL-LBPRGKRZSA-N -1 0 351.407 -0.113 20 0 FBADRM NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CC2OCCCO2)cc1 ZINC001325736676 849175052 /nfs/dbraw/zinc/17/50/52/849175052.db2.gz OZZYCBUCIIQWBZ-UHFFFAOYSA-N -1 0 357.388 -0.187 20 0 FBADRM COC1(C(=O)[N-]S(=O)(=O)c2cnc3c(cnn3C)c2)CCOCC1 ZINC001325737442 849175889 /nfs/dbraw/zinc/17/58/89/849175889.db2.gz RQMKLWCEFHYQJW-UHFFFAOYSA-N -1 0 354.388 -0.031 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)COCc1ccnn1C ZINC001325737565 849175927 /nfs/dbraw/zinc/17/59/27/849175927.db2.gz SIALNQAIYKNJGT-UHFFFAOYSA-N -1 0 374.400 -0.315 20 0 FBADRM Cc1ccncc1S(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCCC2 ZINC001325746939 849176806 /nfs/dbraw/zinc/17/68/06/849176806.db2.gz BVFDUVBIXVOKGT-UHFFFAOYSA-N -1 0 365.415 -0.020 20 0 FBADRM COc1cc(C(=O)N2C[C@@H](O)C[C@H]2CO)cc([N-]S(C)(=O)=O)c1OC ZINC001325775455 849179587 /nfs/dbraw/zinc/17/95/87/849179587.db2.gz DHFSNAWSTMPVCC-QWRGUYRKSA-N -1 0 374.415 -0.357 20 0 FBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC001325824677 849183295 /nfs/dbraw/zinc/18/32/95/849183295.db2.gz AXENORTVLPGZGB-ZDUSSCGKSA-N -1 0 372.399 -0.727 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N1CCN(C2CCOCC2)CC1)C(=O)[O-] ZINC001325829869 849184160 /nfs/dbraw/zinc/18/41/60/849184160.db2.gz HYYSRUYQCKRNFN-UHFFFAOYSA-N -1 0 355.435 -0.073 20 0 FBADRM CS(=O)(=O)CCCCNC(=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001325829970 849184932 /nfs/dbraw/zinc/18/49/32/849184932.db2.gz LUJBZZVDHYSTCT-UHFFFAOYSA-N -1 0 356.400 -0.058 20 0 FBADRM O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)c1c[nH]c2ncccc12 ZINC001325835173 849185281 /nfs/dbraw/zinc/18/52/81/849185281.db2.gz BRUFKAZKSOVDAH-LLVKDONJSA-N -1 0 354.388 -0.373 20 0 FBADRM O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)c1c[nH]c2ncccc12 ZINC001325835174 849185604 /nfs/dbraw/zinc/18/56/04/849185604.db2.gz BRUFKAZKSOVDAH-NSHDSACASA-N -1 0 354.388 -0.373 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])s1 ZINC001325836674 849185385 /nfs/dbraw/zinc/18/53/85/849185385.db2.gz QWAXYJSOPALMFZ-MWLCHTKSSA-N -1 0 362.429 -0.365 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])s1 ZINC001325837311 849185621 /nfs/dbraw/zinc/18/56/21/849185621.db2.gz JXJMVVPBXBITGG-JTQLQIEISA-N -1 0 350.418 -0.459 20 0 FBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(=O)[O-] ZINC001325837349 849185633 /nfs/dbraw/zinc/18/56/33/849185633.db2.gz KBOZRTBABQGSKX-GXSJLCMTSA-N -1 0 361.376 -0.471 20 0 FBADRM COC(=O)CC[C@@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)[O-] ZINC001325837350 849185484 /nfs/dbraw/zinc/18/54/84/849185484.db2.gz KBOZRTBABQGSKX-MWLCHTKSSA-N -1 0 361.376 -0.471 20 0 FBADRM O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC001325838465 849185416 /nfs/dbraw/zinc/18/54/16/849185416.db2.gz NVSYNFQGPHJZJU-LLVKDONJSA-N -1 0 363.823 -0.060 20 0 FBADRM O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC001325838469 849185626 /nfs/dbraw/zinc/18/56/26/849185626.db2.gz NVSYNFQGPHJZJU-NSHDSACASA-N -1 0 363.823 -0.060 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])c(OC)c1 ZINC001325839293 849186052 /nfs/dbraw/zinc/18/60/52/849186052.db2.gz QFPJYCAYKQYPFD-GFCCVEGCSA-N -1 0 374.415 -0.233 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])c(OC)c1 ZINC001325839294 849186123 /nfs/dbraw/zinc/18/61/23/849186123.db2.gz QFPJYCAYKQYPFD-LBPRGKRZSA-N -1 0 374.415 -0.233 20 0 FBADRM CCn1cc(S(=O)(=O)N[C@H](CCC(=O)[O-])CN2CCOCC2)cn1 ZINC001325839899 849185869 /nfs/dbraw/zinc/18/58/69/849185869.db2.gz UIJZIUULJRDZCO-GFCCVEGCSA-N -1 0 360.436 -0.253 20 0 FBADRM CCn1cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])CN2CCOCC2)cn1 ZINC001325839900 849185902 /nfs/dbraw/zinc/18/59/02/849185902.db2.gz UIJZIUULJRDZCO-LBPRGKRZSA-N -1 0 360.436 -0.253 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@H](CC(=O)[O-])C1CCOCC1 ZINC001325840062 849186185 /nfs/dbraw/zinc/18/61/85/849186185.db2.gz WCGHNXKKDNMVCD-LLVKDONJSA-N -1 0 357.450 -0.390 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N[C@@H](CC(=O)[O-])C1CCOCC1 ZINC001325840065 849186252 /nfs/dbraw/zinc/18/62/52/849186252.db2.gz WCGHNXKKDNMVCD-NSHDSACASA-N -1 0 357.450 -0.390 20 0 FBADRM CC(=O)N1CCc2ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cc2CC1 ZINC001325842281 849186191 /nfs/dbraw/zinc/18/61/91/849186191.db2.gz YQRNCDSONHXNCP-OAHLLOKOSA-N -1 0 370.427 -0.252 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccc(-n2cnnc2)cc1 ZINC001325853011 849187048 /nfs/dbraw/zinc/18/70/48/849187048.db2.gz FLPYZCPPWROQEJ-UHFFFAOYSA-N -1 0 351.388 -0.608 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(COC)ccc2OC)n1 ZINC001325860296 849187754 /nfs/dbraw/zinc/18/77/54/849187754.db2.gz KRUBLOAXAGJQIR-UHFFFAOYSA-N -1 0 369.403 -0.020 20 0 FBADRM COCC(=O)NCCC(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC001325862028 849188306 /nfs/dbraw/zinc/18/83/06/849188306.db2.gz ZVGSUZNFIYTDMF-UHFFFAOYSA-N -1 0 355.372 -0.296 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)NCc2nc(=O)o[n-]2)cc1F ZINC001325874602 849189395 /nfs/dbraw/zinc/18/93/95/849189395.db2.gz QQGZUFFIYNZLMH-UHFFFAOYSA-N -1 0 351.337 -0.616 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cccnc1)S(=O)(=O)C1CCOCC1 ZINC001325887719 849190305 /nfs/dbraw/zinc/19/03/05/849190305.db2.gz KBOPSBPEXVZAEO-JTQLQIEISA-N -1 0 362.429 -0.131 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)c1cccnc1)S(=O)(=O)C1CCOCC1 ZINC001325887720 849190445 /nfs/dbraw/zinc/19/04/45/849190445.db2.gz KBOPSBPEXVZAEO-SNVBAGLBSA-N -1 0 362.429 -0.131 20 0 FBADRM O=C(Cc1nc2ncccn2n1)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC001325888721 849190188 /nfs/dbraw/zinc/19/01/88/849190188.db2.gz CBCSCJQDTGDTPJ-UHFFFAOYSA-N -1 0 371.329 -0.367 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 ZINC001325888896 849190854 /nfs/dbraw/zinc/19/08/54/849190854.db2.gz YDZHNYHOWCQJNY-CMPLNLGQSA-N -1 0 372.447 -0.324 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 ZINC001325888898 849191206 /nfs/dbraw/zinc/19/12/06/849191206.db2.gz YDZHNYHOWCQJNY-JQWIXIFHSA-N -1 0 372.447 -0.324 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 ZINC001325888900 849191133 /nfs/dbraw/zinc/19/11/33/849191133.db2.gz YDZHNYHOWCQJNY-PWSUYJOCSA-N -1 0 372.447 -0.324 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 ZINC001325888903 849191161 /nfs/dbraw/zinc/19/11/61/849191161.db2.gz YDZHNYHOWCQJNY-ZYHUDNBSSA-N -1 0 372.447 -0.324 20 0 FBADRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)cn1 ZINC001325890649 849191218 /nfs/dbraw/zinc/19/12/18/849191218.db2.gz MMXDTURPRUTKLG-UHFFFAOYSA-N -1 0 359.314 -0.239 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)CC1OCCCO1 ZINC001325893753 849191711 /nfs/dbraw/zinc/19/17/11/849191711.db2.gz ULGKQTSQSDQHIL-UHFFFAOYSA-N -1 0 358.372 -0.248 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3nnn(C)c3C2)c1Cl ZINC001325914599 849194186 /nfs/dbraw/zinc/19/41/86/849194186.db2.gz WBANCEXPUTWCLY-SSDOTTSWSA-N -1 0 358.811 -0.188 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)[C@H]2CCc3nnn(C)c3C2)c1Cl ZINC001325914611 849194232 /nfs/dbraw/zinc/19/42/32/849194232.db2.gz WBANCEXPUTWCLY-ZETCQYMHSA-N -1 0 358.811 -0.188 20 0 FBADRM COCc1noc(CN2CCN(C(=O)CSc3n[nH]c(=O)[n-]3)CC2)n1 ZINC001325959070 849200024 /nfs/dbraw/zinc/20/00/24/849200024.db2.gz ADLWVIFCOUFBTE-UHFFFAOYSA-N -1 0 369.407 -0.524 20 0 FBADRM Cn1cc(-c2nn(C)cc2C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)cn1 ZINC001325961728 849200201 /nfs/dbraw/zinc/20/02/01/849200201.db2.gz UMSYWAPZVVEGNV-JTQLQIEISA-N -1 0 353.404 -0.083 20 0 FBADRM Cn1cc(-c2nn(C)cc2C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)cn1 ZINC001325961730 849200050 /nfs/dbraw/zinc/20/00/50/849200050.db2.gz UMSYWAPZVVEGNV-SNVBAGLBSA-N -1 0 353.404 -0.083 20 0 FBADRM CN(CCNS(C)(=O)=O)S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001326013756 849206825 /nfs/dbraw/zinc/20/68/25/849206825.db2.gz MFKIELVIJUWXAF-UHFFFAOYSA-N -1 0 350.418 -0.517 20 0 FBADRM COCCN(CCC(=O)[O-])S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001326013908 849208026 /nfs/dbraw/zinc/20/80/26/849208026.db2.gz NYTKPIOMXBZRQY-LLVKDONJSA-N -1 0 357.450 -0.436 20 0 FBADRM COCCN(CCC(=O)[O-])S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001326013909 849208116 /nfs/dbraw/zinc/20/81/16/849208116.db2.gz NYTKPIOMXBZRQY-NSHDSACASA-N -1 0 357.450 -0.436 20 0 FBADRM O=C([O-])C1CCN(S(=O)(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001326014115 849207481 /nfs/dbraw/zinc/20/74/81/849207481.db2.gz SVKMYJWZLUPYDW-GFCCVEGCSA-N -1 0 366.461 -0.321 20 0 FBADRM O=C([O-])C1CCN(S(=O)(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001326014116 849207768 /nfs/dbraw/zinc/20/77/68/849207768.db2.gz SVKMYJWZLUPYDW-LBPRGKRZSA-N -1 0 366.461 -0.321 20 0 FBADRM COc1cc(C(=O)[O-])ccc1S(=O)(=O)N(C)CCNS(C)(=O)=O ZINC001326014444 849207834 /nfs/dbraw/zinc/20/78/34/849207834.db2.gz XIEKLNBCVJRNLY-UHFFFAOYSA-N -1 0 366.417 -0.437 20 0 FBADRM O=C([O-])C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC001326017748 849208163 /nfs/dbraw/zinc/20/81/63/849208163.db2.gz ILEPJFAXAADHRL-GHMZBOCLSA-N -1 0 355.434 -0.684 20 0 FBADRM O=C([O-])C[C@H]1CN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC001326017750 849207821 /nfs/dbraw/zinc/20/78/21/849207821.db2.gz ILEPJFAXAADHRL-MNOVXSKESA-N -1 0 355.434 -0.684 20 0 FBADRM O=C([O-])C[C@H]1CN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC001326017752 849207671 /nfs/dbraw/zinc/20/76/71/849207671.db2.gz ILEPJFAXAADHRL-QWRGUYRKSA-N -1 0 355.434 -0.684 20 0 FBADRM O=C([O-])C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC001326017754 849207843 /nfs/dbraw/zinc/20/78/43/849207843.db2.gz ILEPJFAXAADHRL-WDEREUQCSA-N -1 0 355.434 -0.684 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)CCCN2CCOCC2)C1 ZINC001326018690 849208196 /nfs/dbraw/zinc/20/81/96/849208196.db2.gz PNRSILHOZZZUFO-HNNXBMFYSA-N -1 0 364.464 -0.148 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)CCCN2CCOCC2)C1 ZINC001326018692 849208226 /nfs/dbraw/zinc/20/82/26/849208226.db2.gz PNRSILHOZZZUFO-OAHLLOKOSA-N -1 0 364.464 -0.148 20 0 FBADRM NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CCN2CCCC2=O)cc1 ZINC001326022579 849208616 /nfs/dbraw/zinc/20/86/16/849208616.db2.gz QQIYMJWPKQZOSG-UHFFFAOYSA-N -1 0 368.415 -0.328 20 0 FBADRM O=C([O-])C1(CNC(=O)NCC2(OCCO)CCOCC2)CCOCC1 ZINC001326026665 849209680 /nfs/dbraw/zinc/20/96/80/849209680.db2.gz GJTYHJDLWJYASD-UHFFFAOYSA-N -1 0 360.407 -0.275 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NCCN1C(=O)COc2ccccc21 ZINC001326029204 849209633 /nfs/dbraw/zinc/20/96/33/849209633.db2.gz GXOJJTQKBPIHMY-UHFFFAOYSA-N -1 0 351.359 -0.388 20 0 FBADRM Cc1n[nH]c(=O)c(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1C ZINC001326036777 849210620 /nfs/dbraw/zinc/21/06/20/849210620.db2.gz KAKGANKOBTWENX-GZMMTYOYSA-N -1 0 350.375 -0.016 20 0 FBADRM Cc1n[nH]c(=O)c(CNC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1C ZINC001326036779 849211040 /nfs/dbraw/zinc/21/10/40/849211040.db2.gz KAKGANKOBTWENX-KCJUWKMLSA-N -1 0 350.375 -0.016 20 0 FBADRM Cc1n[nH]c(=O)c(CNC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1C ZINC001326036781 849210724 /nfs/dbraw/zinc/21/07/24/849210724.db2.gz KAKGANKOBTWENX-KWQFWETISA-N -1 0 350.375 -0.016 20 0 FBADRM Cc1n[nH]c(=O)c(CNC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1C ZINC001326036783 849210470 /nfs/dbraw/zinc/21/04/70/849210470.db2.gz KAKGANKOBTWENX-LDYMZIIASA-N -1 0 350.375 -0.016 20 0 FBADRM O=C([O-])C1(NS(=O)(=O)C2CCS(=O)(=O)CC2)CCSCC1 ZINC001326050582 849212555 /nfs/dbraw/zinc/21/25/55/849212555.db2.gz BPVXPWPCYVWWLA-UHFFFAOYSA-N -1 0 357.475 -0.167 20 0 FBADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N(C)CCNS(C)(=O)=O ZINC001326050628 849212682 /nfs/dbraw/zinc/21/26/82/849212682.db2.gz DUJVPLVSRFMZJM-UHFFFAOYSA-N -1 0 350.418 -0.137 20 0 FBADRM Cc1csc(C(=O)[O-])c1S(=O)(=O)N(C)CCNS(C)(=O)=O ZINC001326051725 849212672 /nfs/dbraw/zinc/21/26/72/849212672.db2.gz VTUFNADMJOPZHF-UHFFFAOYSA-N -1 0 356.447 -0.076 20 0 FBADRM O=C([O-])C[C@@H]1COCCN1S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001326051758 849212568 /nfs/dbraw/zinc/21/25/68/849212568.db2.gz XEEJZVHHWKKANN-GHMZBOCLSA-N -1 0 355.434 -0.684 20 0 FBADRM O=C([O-])C[C@H]1COCCN1S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001326051759 849212503 /nfs/dbraw/zinc/21/25/03/849212503.db2.gz XEEJZVHHWKKANN-MNOVXSKESA-N -1 0 355.434 -0.684 20 0 FBADRM O=C([O-])C[C@H]1COCCN1S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001326051760 849212634 /nfs/dbraw/zinc/21/26/34/849212634.db2.gz XEEJZVHHWKKANN-QWRGUYRKSA-N -1 0 355.434 -0.684 20 0 FBADRM O=C([O-])C[C@@H]1COCCN1S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001326051761 849212619 /nfs/dbraw/zinc/21/26/19/849212619.db2.gz XEEJZVHHWKKANN-WDEREUQCSA-N -1 0 355.434 -0.684 20 0 FBADRM CO[N-]C(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC001326117534 849219650 /nfs/dbraw/zinc/21/96/50/849219650.db2.gz PDVMLODSHQDDQI-UHFFFAOYSA-N -1 0 350.375 -0.635 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC001326117542 849219613 /nfs/dbraw/zinc/21/96/13/849219613.db2.gz PJSJTLDGEMSNFZ-UHFFFAOYSA-N -1 0 366.399 -0.653 20 0 FBADRM Cc1cc(Cn2nnc(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)c2C)on1 ZINC001326125277 849220454 /nfs/dbraw/zinc/22/04/54/849220454.db2.gz FGMZQTFVSJPWCT-LLVKDONJSA-N -1 0 355.376 -0.220 20 0 FBADRM Cc1cc(Cn2nnc(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)c2C)on1 ZINC001326125278 849220464 /nfs/dbraw/zinc/22/04/64/849220464.db2.gz FGMZQTFVSJPWCT-NSHDSACASA-N -1 0 355.376 -0.220 20 0 FBADRM CC(C)(CCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001326141229 849223323 /nfs/dbraw/zinc/22/33/23/849223323.db2.gz HNNLZXCIOVCTQH-UHFFFAOYSA-N -1 0 364.468 -0.636 20 0 FBADRM CC(C)C[C@H](CNC(=O)NCC1(O)CCS(=O)(=O)CC1)C(=O)[O-] ZINC001326141322 849223305 /nfs/dbraw/zinc/22/33/05/849223305.db2.gz IQRVDSUBISMWIR-LLVKDONJSA-N -1 0 350.437 -0.028 20 0 FBADRM CC(C)C[C@@H](CNC(=O)NCC1(O)CCS(=O)(=O)CC1)C(=O)[O-] ZINC001326141323 849223049 /nfs/dbraw/zinc/22/30/49/849223049.db2.gz IQRVDSUBISMWIR-NSHDSACASA-N -1 0 350.437 -0.028 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])cn1 ZINC001326143689 849224097 /nfs/dbraw/zinc/22/40/97/849224097.db2.gz ZUBFUADMWXMUMW-UHFFFAOYSA-N -1 0 353.379 -0.473 20 0 FBADRM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001326173245 849227163 /nfs/dbraw/zinc/22/71/63/849227163.db2.gz HZCLRIZRHNJTMB-CMPLNLGQSA-N -1 0 363.436 -0.953 20 0 FBADRM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001326173246 849227284 /nfs/dbraw/zinc/22/72/84/849227284.db2.gz HZCLRIZRHNJTMB-JQWIXIFHSA-N -1 0 363.436 -0.953 20 0 FBADRM CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001326173248 849227350 /nfs/dbraw/zinc/22/73/50/849227350.db2.gz HZCLRIZRHNJTMB-PWSUYJOCSA-N -1 0 363.436 -0.953 20 0 FBADRM CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001326173250 849227841 /nfs/dbraw/zinc/22/78/41/849227841.db2.gz HZCLRIZRHNJTMB-ZYHUDNBSSA-N -1 0 363.436 -0.953 20 0 FBADRM Cn1ccc(CC(=O)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)n1 ZINC001326173701 849227625 /nfs/dbraw/zinc/22/76/25/849227625.db2.gz XBGVDBASTIYOCP-UHFFFAOYSA-N -1 0 357.413 -0.129 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)n1 ZINC001326187196 849229443 /nfs/dbraw/zinc/22/94/43/849229443.db2.gz FDBWZTHOXSXFEV-LLVKDONJSA-N -1 0 361.424 -0.793 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)n1 ZINC001326187203 849229137 /nfs/dbraw/zinc/22/91/37/849229137.db2.gz FDBWZTHOXSXFEV-NSHDSACASA-N -1 0 361.424 -0.793 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2C(=O)C2CC2)c(C)nn1C ZINC001326189193 849230173 /nfs/dbraw/zinc/23/01/73/849230173.db2.gz NIGIWIJZUNQWET-NSHDSACASA-N -1 0 370.431 -0.057 20 0 FBADRM COCCn1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)ccc1=O ZINC001326198360 849229802 /nfs/dbraw/zinc/22/98/02/849229802.db2.gz BGHZUISFJTVSME-WDEREUQCSA-N -1 0 351.359 -0.197 20 0 FBADRM COC(=O)C12CC(C(=O)[N-]S(=O)(=O)c3ccc(C(N)=O)cc3)(C1)C2 ZINC001326209641 849230765 /nfs/dbraw/zinc/23/07/65/849230765.db2.gz UCVHQZUOKLTROZ-UHFFFAOYSA-N -1 0 352.368 -0.066 20 0 FBADRM CCN(C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001326223358 849232483 /nfs/dbraw/zinc/23/24/83/849232483.db2.gz ZDPIYCWRPWYZAG-LLVKDONJSA-N -1 0 360.432 -0.265 20 0 FBADRM CCN(C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)[C@H]1CCS(=O)(=O)C1 ZINC001326223359 849232827 /nfs/dbraw/zinc/23/28/27/849232827.db2.gz ZDPIYCWRPWYZAG-NSHDSACASA-N -1 0 360.432 -0.265 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)CC1 ZINC001326231876 849233246 /nfs/dbraw/zinc/23/32/46/849233246.db2.gz LLFXRERPHRLMRJ-LLVKDONJSA-N -1 0 360.432 -0.407 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](CS(C)(=O)=O)C2)CC1 ZINC001326231878 849234417 /nfs/dbraw/zinc/23/44/17/849234417.db2.gz LLFXRERPHRLMRJ-NSHDSACASA-N -1 0 360.432 -0.407 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC(N3CCCC3=O)CC2)C1 ZINC001326238822 849234981 /nfs/dbraw/zinc/23/49/81/849234981.db2.gz DNTVBFHOUSTYTF-NEPJUHHUSA-N -1 0 351.403 -0.031 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001326239789 849235405 /nfs/dbraw/zinc/23/54/05/849235405.db2.gz JQUMPVXAIBUFKK-UHFFFAOYSA-N -1 0 367.324 -0.116 20 0 FBADRM O=C(CCCNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1)NC1CC1 ZINC001326240611 849234974 /nfs/dbraw/zinc/23/49/74/849234974.db2.gz OHZLEMNGZNOEQG-UHFFFAOYSA-N -1 0 355.391 -0.841 20 0 FBADRM Cn1cc(/C=C\C(=O)NCC2(C(=O)[O-])CCOCC2)c(=O)n(C)c1=O ZINC001326244031 849234948 /nfs/dbraw/zinc/23/49/48/849234948.db2.gz DOLGJGRBTLBZQD-ARJAWSKDSA-N -1 0 351.359 -0.905 20 0 FBADRM Cn1cc(/C=C/C(=O)NCC2(C(=O)[O-])CCOCC2)c(=O)n(C)c1=O ZINC001326244034 849234939 /nfs/dbraw/zinc/23/49/39/849234939.db2.gz DOLGJGRBTLBZQD-ONEGZZNKSA-N -1 0 351.359 -0.905 20 0 FBADRM O=C([N-]S(=O)(=O)c1ncccc1F)C1CCC2(CC1)NC(=O)NC2=O ZINC001326268390 849240125 /nfs/dbraw/zinc/24/01/25/849240125.db2.gz BUVJAIOFBFKOPE-UHFFFAOYSA-N -1 0 370.362 -0.206 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2CN2CCOCC2)C1 ZINC001326277217 849241711 /nfs/dbraw/zinc/24/17/11/849241711.db2.gz JOYWJBNTLFICDY-HZSPNIEDSA-N -1 0 353.419 -0.321 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)C1 ZINC001326277219 849242083 /nfs/dbraw/zinc/24/20/83/849242083.db2.gz JOYWJBNTLFICDY-RDBSUJKOSA-N -1 0 353.419 -0.321 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CCN1CC(C)(C)O ZINC001326278289 849241938 /nfs/dbraw/zinc/24/19/38/849241938.db2.gz QLIFUOFQKSDRDJ-FRRDWIJNSA-N -1 0 355.435 -0.341 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CCN1CC(C)(C)O ZINC001326278291 849242900 /nfs/dbraw/zinc/24/29/00/849242900.db2.gz QLIFUOFQKSDRDJ-RWMBFGLXSA-N -1 0 355.435 -0.341 20 0 FBADRM Cn1ccnc1[C@H](O)C1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC001326278421 849242568 /nfs/dbraw/zinc/24/25/68/849242568.db2.gz RXTORZSUKKETAO-CYBMUJFWSA-N -1 0 352.391 -0.327 20 0 FBADRM Cn1ccnc1[C@@H](O)C1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC001326278423 849242670 /nfs/dbraw/zinc/24/26/70/849242670.db2.gz RXTORZSUKKETAO-ZDUSSCGKSA-N -1 0 352.391 -0.327 20 0 FBADRM CNC(=O)Cn1nc(NC(=O)NCC2(C(=O)[O-])CCOCC2)cc1C ZINC001326297640 849244532 /nfs/dbraw/zinc/24/45/32/849244532.db2.gz NHQRZOIBNWTBTM-UHFFFAOYSA-N -1 0 353.379 -0.060 20 0 FBADRM Cn1cc(S(N)(=O)=O)cc1C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC001326298840 849244687 /nfs/dbraw/zinc/24/46/87/849244687.db2.gz WLCFQCNGTIXHCL-UHFFFAOYSA-N -1 0 359.404 -0.232 20 0 FBADRM Cn1cnnc1COCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001326313261 849246077 /nfs/dbraw/zinc/24/60/77/849246077.db2.gz DVYQEFULWIQPTJ-UHFFFAOYSA-N -1 0 368.371 -0.392 20 0 FBADRM COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)COCc1nncn1C ZINC001326313885 849246516 /nfs/dbraw/zinc/24/65/16/849246516.db2.gz HCROSAWYWJMPMS-UHFFFAOYSA-N -1 0 374.400 -0.315 20 0 FBADRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)COCc2nncn2C)c1 ZINC001326315868 849246306 /nfs/dbraw/zinc/24/63/06/849246306.db2.gz UXUSACKEQJPSTN-UHFFFAOYSA-N -1 0 356.408 -0.311 20 0 FBADRM Cc1ncc(S(=O)(=O)N(C)CCNS(C)(=O)=O)cc1C(=O)[O-] ZINC001326325410 849247144 /nfs/dbraw/zinc/24/71/44/849247144.db2.gz IQNHTTSSRWLSGW-UHFFFAOYSA-N -1 0 351.406 -0.742 20 0 FBADRM Cn1cnnc1C1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC001326325455 849247173 /nfs/dbraw/zinc/24/71/73/849247173.db2.gz LBFKXUGGNRYSRD-UHFFFAOYSA-N -1 0 354.392 -0.336 20 0 FBADRM COC1(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CCOCC1 ZINC001326327217 849248380 /nfs/dbraw/zinc/24/83/80/849248380.db2.gz LOBGYYXBWHIVTP-LLVKDONJSA-N -1 0 359.404 -0.155 20 0 FBADRM COC1(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)CCOCC1 ZINC001326327218 849247728 /nfs/dbraw/zinc/24/77/28/849247728.db2.gz LOBGYYXBWHIVTP-NSHDSACASA-N -1 0 359.404 -0.155 20 0 FBADRM Cn1cccc(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1=O ZINC001326327290 849248149 /nfs/dbraw/zinc/24/81/49/849248149.db2.gz OUTPXKFZOBTPCE-JTQLQIEISA-N -1 0 352.372 -0.338 20 0 FBADRM Cn1cccc(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1=O ZINC001326327291 849248137 /nfs/dbraw/zinc/24/81/37/849248137.db2.gz OUTPXKFZOBTPCE-SNVBAGLBSA-N -1 0 352.372 -0.338 20 0 FBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)CCC1 ZINC001326327307 849248295 /nfs/dbraw/zinc/24/82/95/849248295.db2.gz PEPYIUYLJUAMER-JTQLQIEISA-N -1 0 356.404 -0.434 20 0 FBADRM CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CCC1 ZINC001326327308 849248360 /nfs/dbraw/zinc/24/83/60/849248360.db2.gz PEPYIUYLJUAMER-SNVBAGLBSA-N -1 0 356.404 -0.434 20 0 FBADRM O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001326327552 849248119 /nfs/dbraw/zinc/24/81/19/849248119.db2.gz UXRVQVAISGVRJB-NEPJUHHUSA-N -1 0 359.404 -0.155 20 0 FBADRM O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001326327553 849248367 /nfs/dbraw/zinc/24/83/67/849248367.db2.gz UXRVQVAISGVRJB-NWDGAFQWSA-N -1 0 359.404 -0.155 20 0 FBADRM O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001326327555 849248189 /nfs/dbraw/zinc/24/81/89/849248189.db2.gz UXRVQVAISGVRJB-RYUDHWBXSA-N -1 0 359.404 -0.155 20 0 FBADRM O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001326327557 849248327 /nfs/dbraw/zinc/24/83/27/849248327.db2.gz UXRVQVAISGVRJB-VXGBXAGGSA-N -1 0 359.404 -0.155 20 0 FBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001326327774 849248051 /nfs/dbraw/zinc/24/80/51/849248051.db2.gz ZQPWYZIVEINDKR-JTQLQIEISA-N -1 0 360.392 -0.214 20 0 FBADRM COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001326327775 849248201 /nfs/dbraw/zinc/24/82/01/849248201.db2.gz ZQPWYZIVEINDKR-SNVBAGLBSA-N -1 0 360.392 -0.214 20 0 FBADRM CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC001326329187 849248305 /nfs/dbraw/zinc/24/83/05/849248305.db2.gz PAHMSSRPKFRXDK-AWEZNQCLSA-N -1 0 356.404 -0.271 20 0 FBADRM CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC001326329189 849248394 /nfs/dbraw/zinc/24/83/94/849248394.db2.gz PAHMSSRPKFRXDK-CQSZACIVSA-N -1 0 356.404 -0.271 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn2c1OCCC2)[C@@H]1CCc2n[nH]cc2C1 ZINC001326329752 849247740 /nfs/dbraw/zinc/24/77/40/849247740.db2.gz ROOLPNIPFLKDJY-SECBINFHSA-N -1 0 351.388 -0.001 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn2c1OCCC2)[C@H]1CCc2n[nH]cc2C1 ZINC001326329755 849248290 /nfs/dbraw/zinc/24/82/90/849248290.db2.gz ROOLPNIPFLKDJY-VIFPVBQESA-N -1 0 351.388 -0.001 20 0 FBADRM O=C([O-])C[C@@]1(NS(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CCCOC1 ZINC001326329818 849247808 /nfs/dbraw/zinc/24/78/08/849247808.db2.gz LAIITPKBDRPSEF-AAEUAGOBSA-N -1 0 369.461 -0.246 20 0 FBADRM O=C([O-])C[C@]1(NS(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CCCOC1 ZINC001326329820 849248374 /nfs/dbraw/zinc/24/83/74/849248374.db2.gz LAIITPKBDRPSEF-DGCLKSJQSA-N -1 0 369.461 -0.246 20 0 FBADRM O=C([O-])C[C@]1(NS(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CCCOC1 ZINC001326329822 849247927 /nfs/dbraw/zinc/24/79/27/849247927.db2.gz LAIITPKBDRPSEF-WCQYABFASA-N -1 0 369.461 -0.246 20 0 FBADRM O=C([O-])C[C@@]1(NS(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CCCOC1 ZINC001326329823 849248109 /nfs/dbraw/zinc/24/81/09/849248109.db2.gz LAIITPKBDRPSEF-YPMHNXCESA-N -1 0 369.461 -0.246 20 0 FBADRM COCC(=O)NC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1 ZINC001326340061 849248904 /nfs/dbraw/zinc/24/89/04/849248904.db2.gz HVBVLYILKCRUJM-UHFFFAOYSA-N -1 0 357.407 -0.196 20 0 FBADRM O=C(CNS(=O)(=O)c1ccccc1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001326342988 849249778 /nfs/dbraw/zinc/24/97/78/849249778.db2.gz MNSMZJOOEOBVIE-LLVKDONJSA-N -1 0 352.376 -0.922 20 0 FBADRM O=C(CNS(=O)(=O)c1ccccc1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001326342989 849249876 /nfs/dbraw/zinc/24/98/76/849249876.db2.gz MNSMZJOOEOBVIE-NSHDSACASA-N -1 0 352.376 -0.922 20 0 FBADRM O=C([O-])C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CCO1 ZINC001326372201 849252342 /nfs/dbraw/zinc/25/23/42/849252342.db2.gz OOVGJCVNEBUOCX-GFCCVEGCSA-N -1 0 371.415 -0.218 20 0 FBADRM O=C([O-])C[C@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CCO1 ZINC001326372205 849252746 /nfs/dbraw/zinc/25/27/46/849252746.db2.gz OOVGJCVNEBUOCX-LBPRGKRZSA-N -1 0 371.415 -0.218 20 0 FBADRM CS(=O)(=O)C[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])C1 ZINC001326372332 849252511 /nfs/dbraw/zinc/25/25/11/849252511.db2.gz QTGRDCUUHXBFER-SECBINFHSA-N -1 0 362.429 -0.097 20 0 FBADRM CS(=O)(=O)C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])C1 ZINC001326372333 849252209 /nfs/dbraw/zinc/25/22/09/849252209.db2.gz QTGRDCUUHXBFER-VIFPVBQESA-N -1 0 362.429 -0.097 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)s1 ZINC001326375416 849252728 /nfs/dbraw/zinc/25/27/28/849252728.db2.gz IPRWVSUSYMNBNK-PELKAZGASA-N -1 0 362.429 -0.066 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)s1 ZINC001326375418 849252273 /nfs/dbraw/zinc/25/22/73/849252273.db2.gz IPRWVSUSYMNBNK-PRHODGIISA-N -1 0 362.429 -0.066 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)s1 ZINC001326375419 849252135 /nfs/dbraw/zinc/25/21/35/849252135.db2.gz IPRWVSUSYMNBNK-QPUJVOFHSA-N -1 0 362.429 -0.066 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)s1 ZINC001326375421 849253300 /nfs/dbraw/zinc/25/33/00/849253300.db2.gz IPRWVSUSYMNBNK-UFBFGSQYSA-N -1 0 362.429 -0.066 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(N2CCNC2=O)cc1 ZINC001326380080 849254357 /nfs/dbraw/zinc/25/43/57/849254357.db2.gz JSILTXRMEVJNDV-UHFFFAOYSA-N -1 0 354.388 -0.588 20 0 FBADRM CS(=O)(=O)Cc1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC001326381348 849253906 /nfs/dbraw/zinc/25/39/06/849253906.db2.gz RMYYNAIUSQQYGY-UHFFFAOYSA-N -1 0 362.429 -0.573 20 0 FBADRM CC(=O)OC[C@H](CO)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC001326382963 849253853 /nfs/dbraw/zinc/25/38/53/849253853.db2.gz UHQPVSMBPZBDNU-JTQLQIEISA-N -1 0 351.384 -0.124 20 0 FBADRM CC(=O)OC[C@@H](CO)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC001326382965 849253961 /nfs/dbraw/zinc/25/39/61/849253961.db2.gz UHQPVSMBPZBDNU-SNVBAGLBSA-N -1 0 351.384 -0.124 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1csc(N2CCCC2=O)n1 ZINC001326382974 849254388 /nfs/dbraw/zinc/25/43/88/849254388.db2.gz ZACXDKZOFDATJV-UHFFFAOYSA-N -1 0 374.444 -0.606 20 0 FBADRM COC(=O)C1CCN(C(=O)CN(CCNC(C)=O)[C@H](C)C(=O)[O-])CC1 ZINC001326391348 849255197 /nfs/dbraw/zinc/25/51/97/849255197.db2.gz OEDJIOOJDYFZHB-LLVKDONJSA-N -1 0 357.407 -0.691 20 0 FBADRM COC(=O)C1CCN(C(=O)CN(CCNC(C)=O)[C@@H](C)C(=O)[O-])CC1 ZINC001326391349 849254763 /nfs/dbraw/zinc/25/47/63/849254763.db2.gz OEDJIOOJDYFZHB-NSHDSACASA-N -1 0 357.407 -0.691 20 0 FBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC001326391475 849254824 /nfs/dbraw/zinc/25/48/24/849254824.db2.gz QTJXCTRMONYUDE-LLVKDONJSA-N -1 0 369.399 -0.455 20 0 FBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC001326391476 849254931 /nfs/dbraw/zinc/25/49/31/849254931.db2.gz QTJXCTRMONYUDE-NSHDSACASA-N -1 0 369.399 -0.455 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)N3CCS(=O)(=O)CC3)CC2)C1 ZINC001326433921 849260807 /nfs/dbraw/zinc/26/08/07/849260807.db2.gz IFHGUQDGDRQJJK-LLVKDONJSA-N -1 0 373.431 -0.766 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)N3CCS(=O)(=O)CC3)CC2)C1 ZINC001326433927 849260238 /nfs/dbraw/zinc/26/02/38/849260238.db2.gz IFHGUQDGDRQJJK-NSHDSACASA-N -1 0 373.431 -0.766 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)Cc2cn3c(n2)CCCC3)cc1C(N)=O ZINC001326443292 849261690 /nfs/dbraw/zinc/26/16/90/849261690.db2.gz XIOUBMLEIRWTHW-UHFFFAOYSA-N -1 0 365.415 -0.296 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)CS(C)(=O)=O)cc2sc1=O ZINC001326455006 849263957 /nfs/dbraw/zinc/26/39/57/849263957.db2.gz JCIXNCOGMRMQFW-UHFFFAOYSA-N -1 0 364.426 -0.551 20 0 FBADRM COC(=O)N1CCCN(C(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)CC1 ZINC001326459998 849264773 /nfs/dbraw/zinc/26/47/73/849264773.db2.gz ZIUQINQJNMXQHN-NEPJUHHUSA-N -1 0 355.391 -0.144 20 0 FBADRM COC(=O)N1CCCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)CC1 ZINC001326459999 849264681 /nfs/dbraw/zinc/26/46/81/849264681.db2.gz ZIUQINQJNMXQHN-NWDGAFQWSA-N -1 0 355.391 -0.144 20 0 FBADRM COC(=O)N1CCCN(C(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)CC1 ZINC001326460000 849264406 /nfs/dbraw/zinc/26/44/06/849264406.db2.gz ZIUQINQJNMXQHN-RYUDHWBXSA-N -1 0 355.391 -0.144 20 0 FBADRM COC(=O)N1CCCN(C(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)CC1 ZINC001326460001 849264753 /nfs/dbraw/zinc/26/47/53/849264753.db2.gz ZIUQINQJNMXQHN-VXGBXAGGSA-N -1 0 355.391 -0.144 20 0 FBADRM COc1ccc(F)cc1S(=O)(=O)N[C@H](CN1CCOCC1)C(=O)[O-] ZINC001326462976 849264416 /nfs/dbraw/zinc/26/44/16/849264416.db2.gz ZPXVZTFYSLXNRJ-LLVKDONJSA-N -1 0 362.379 -0.102 20 0 FBADRM COc1ccc(F)cc1S(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)[O-] ZINC001326462977 849264939 /nfs/dbraw/zinc/26/49/39/849264939.db2.gz ZPXVZTFYSLXNRJ-NSHDSACASA-N -1 0 362.379 -0.102 20 0 FBADRM CCNC(=O)NC(=O)[C@@H](C)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001326463357 849264457 /nfs/dbraw/zinc/26/44/57/849264457.db2.gz AZMWZLPULJBXBS-GHMZBOCLSA-N -1 0 354.407 -0.382 20 0 FBADRM CCNC(=O)NC(=O)[C@@H](C)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001326463358 849264505 /nfs/dbraw/zinc/26/45/05/849264505.db2.gz AZMWZLPULJBXBS-MNOVXSKESA-N -1 0 354.407 -0.382 20 0 FBADRM CCNC(=O)NC(=O)[C@H](C)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001326463359 849264802 /nfs/dbraw/zinc/26/48/02/849264802.db2.gz AZMWZLPULJBXBS-QWRGUYRKSA-N -1 0 354.407 -0.382 20 0 FBADRM CCNC(=O)NC(=O)[C@H](C)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001326463360 849264981 /nfs/dbraw/zinc/26/49/81/849264981.db2.gz AZMWZLPULJBXBS-WDEREUQCSA-N -1 0 354.407 -0.382 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(S(=O)(=O)N(C)C)nc2)C1=O ZINC001326467029 849265803 /nfs/dbraw/zinc/26/58/03/849265803.db2.gz UBVPIWSENVZKAF-AWEZNQCLSA-N -1 0 369.403 -0.303 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(S(=O)(=O)N(C)C)nc2)C1=O ZINC001326467032 849265720 /nfs/dbraw/zinc/26/57/20/849265720.db2.gz UBVPIWSENVZKAF-CQSZACIVSA-N -1 0 369.403 -0.303 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)Cc1ccn(C)n1 ZINC001326480521 849268258 /nfs/dbraw/zinc/26/82/58/849268258.db2.gz KTCQPBQIBBVAHZ-UHFFFAOYSA-N -1 0 352.372 -0.425 20 0 FBADRM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)NC[C@](C)(O)C(=O)[O-] ZINC001326482657 849269029 /nfs/dbraw/zinc/26/90/29/849269029.db2.gz ZHOCMEHFBKTXPE-INIZCTEOSA-N -1 0 350.375 -0.237 20 0 FBADRM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001326482658 849269066 /nfs/dbraw/zinc/26/90/66/849269066.db2.gz ZHOCMEHFBKTXPE-MRXNPFEDSA-N -1 0 350.375 -0.237 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(OC)c(S(C)(=O)=O)c1 ZINC001326484790 849269959 /nfs/dbraw/zinc/26/99/59/849269959.db2.gz WZRVYLDGAIVIFD-UHFFFAOYSA-N -1 0 373.387 -0.779 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(C(=O)NC)ccc1OC ZINC001326484914 849269889 /nfs/dbraw/zinc/26/98/89/849269889.db2.gz ZGUZTJOQMCWBTK-UHFFFAOYSA-N -1 0 352.347 -0.823 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3ncncc3C2)cc1C(N)=O ZINC001326490886 849270983 /nfs/dbraw/zinc/27/09/83/849270983.db2.gz JZBUFGWGUDKYTB-SECBINFHSA-N -1 0 363.399 -0.476 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCc3ncncc3C2)cc1C(N)=O ZINC001326490887 849270997 /nfs/dbraw/zinc/27/09/97/849270997.db2.gz JZBUFGWGUDKYTB-VIFPVBQESA-N -1 0 363.399 -0.476 20 0 FBADRM O=C(Cc1noc(Cn2[n-]cc3c(=O)ncnc2-3)n1)N1CCSCC1 ZINC001326493129 849270677 /nfs/dbraw/zinc/27/06/77/849270677.db2.gz NVQKUIBQDYDWHT-UHFFFAOYSA-N -1 0 361.387 -0.380 20 0 FBADRM O=C([O-])c1ccoc1CN1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC001326499046 849272137 /nfs/dbraw/zinc/27/21/37/849272137.db2.gz WDZQNFLDNKLIGC-UHFFFAOYSA-N -1 0 359.404 -0.328 20 0 FBADRM CC(C)(O)CN1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC1 ZINC001326501901 849272434 /nfs/dbraw/zinc/27/24/34/849272434.db2.gz IHEUFPACAFHSMM-UHFFFAOYSA-N -1 0 355.435 -0.385 20 0 FBADRM CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001326505117 849273056 /nfs/dbraw/zinc/27/30/56/849273056.db2.gz FHKLTOIWRFELRP-LLVKDONJSA-N -1 0 358.420 -0.188 20 0 FBADRM CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001326505118 849272875 /nfs/dbraw/zinc/27/28/75/849272875.db2.gz FHKLTOIWRFELRP-NSHDSACASA-N -1 0 358.420 -0.188 20 0 FBADRM CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)cc2)C1 ZINC001326514312 849275149 /nfs/dbraw/zinc/27/51/49/849275149.db2.gz LDZULSLNEDDOTF-GFCCVEGCSA-N -1 0 353.400 -0.151 20 0 FBADRM CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)cc2)C1 ZINC001326514315 849275192 /nfs/dbraw/zinc/27/51/92/849275192.db2.gz LDZULSLNEDDOTF-LBPRGKRZSA-N -1 0 353.400 -0.151 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(C(=O)NC)c(Cl)c1 ZINC001326532471 849278531 /nfs/dbraw/zinc/27/85/31/849278531.db2.gz AWRGDAJTCOCANK-UHFFFAOYSA-N -1 0 356.766 -0.178 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccccc1N(C)S(C)(=O)=O ZINC001326533322 849278412 /nfs/dbraw/zinc/27/84/12/849278412.db2.gz DXGDSDGZHPVMFS-UHFFFAOYSA-N -1 0 372.403 -0.795 20 0 FBADRM Cc1c(C(=O)[O-])cnn1C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001326534412 849278770 /nfs/dbraw/zinc/27/87/70/849278770.db2.gz KCTAMKWGMUNGPX-GFCCVEGCSA-N -1 0 356.404 -0.255 20 0 FBADRM Cc1c(C(=O)[O-])cnn1C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001326534413 849278493 /nfs/dbraw/zinc/27/84/93/849278493.db2.gz KCTAMKWGMUNGPX-LBPRGKRZSA-N -1 0 356.404 -0.255 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(OC)cc1S(C)(=O)=O ZINC001326535875 849279589 /nfs/dbraw/zinc/27/95/89/849279589.db2.gz ZJZQCKAUINYDPZ-UHFFFAOYSA-N -1 0 373.387 -0.779 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC001326535910 849279121 /nfs/dbraw/zinc/27/91/21/849279121.db2.gz ZWNWGVDWVOAZGD-UHFFFAOYSA-N -1 0 361.351 -0.648 20 0 FBADRM C[C@@H]1CCCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)[C@H]1C(=O)[O-] ZINC001326536117 849279301 /nfs/dbraw/zinc/27/93/01/849279301.db2.gz FTRWAEWJHRTPNV-CKYFFXLPSA-N -1 0 361.420 -0.816 20 0 FBADRM C[C@@H]1CCCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)[C@@H]1C(=O)[O-] ZINC001326536118 849280177 /nfs/dbraw/zinc/28/01/77/849280177.db2.gz FTRWAEWJHRTPNV-FOGDFJRCSA-N -1 0 361.420 -0.816 20 0 FBADRM C[C@@H]1CCCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)[C@H]1C(=O)[O-] ZINC001326536119 849279969 /nfs/dbraw/zinc/27/99/69/849279969.db2.gz FTRWAEWJHRTPNV-JFGNBEQYSA-N -1 0 361.420 -0.816 20 0 FBADRM C[C@@H]1CCCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)[C@@H]1C(=O)[O-] ZINC001326536120 849280048 /nfs/dbraw/zinc/28/00/48/849280048.db2.gz FTRWAEWJHRTPNV-SCVCMEIPSA-N -1 0 361.420 -0.816 20 0 FBADRM COCC(=O)NC1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC001326546579 849280786 /nfs/dbraw/zinc/28/07/86/849280786.db2.gz HJTCPVNKSPASSQ-CMPLNLGQSA-N -1 0 355.391 -0.891 20 0 FBADRM O=C([N-]S(=O)(=O)C1CCC1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001326560896 849283607 /nfs/dbraw/zinc/28/36/07/849283607.db2.gz JFAYLKSFWAKSRC-NXEZZACHSA-N -1 0 364.445 -0.980 20 0 FBADRM O=C([N-]S(=O)(=O)C1CCC1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001326560897 849283869 /nfs/dbraw/zinc/28/38/69/849283869.db2.gz JFAYLKSFWAKSRC-UWVGGRQHSA-N -1 0 364.445 -0.980 20 0 FBADRM O=C([N-]S(=O)(=O)C1CCC1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001326560898 849283818 /nfs/dbraw/zinc/28/38/18/849283818.db2.gz JFAYLKSFWAKSRC-VHSXEESVSA-N -1 0 364.445 -0.980 20 0 FBADRM O=C([N-]S(=O)(=O)C1CCC1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001326560899 849283860 /nfs/dbraw/zinc/28/38/60/849283860.db2.gz JFAYLKSFWAKSRC-ZJUUUORDSA-N -1 0 364.445 -0.980 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cncn2C)C1 ZINC001326570424 849284720 /nfs/dbraw/zinc/28/47/20/849284720.db2.gz LWIHINDOOORSGO-QWRGUYRKSA-N -1 0 353.404 -0.049 20 0 FBADRM CS(=O)(=O)CCn1ccc(NC(=O)NCC2(C(=O)[O-])CCOCC2)n1 ZINC001326582322 849286988 /nfs/dbraw/zinc/28/69/88/849286988.db2.gz MTDQFCVYJDMGMA-UHFFFAOYSA-N -1 0 374.419 -0.069 20 0 FBADRM Cn1cc(-c2nc([C@@H]3COCCN3C(=O)COCC(=O)[O-])no2)cn1 ZINC001326582742 849287277 /nfs/dbraw/zinc/28/72/77/849287277.db2.gz PENRGWIRBYUKAM-JTQLQIEISA-N -1 0 351.319 -0.529 20 0 FBADRM Cn1cc(-c2nc([C@H]3COCCN3C(=O)COCC(=O)[O-])no2)cn1 ZINC001326582743 849287090 /nfs/dbraw/zinc/28/70/90/849287090.db2.gz PENRGWIRBYUKAM-SNVBAGLBSA-N -1 0 351.319 -0.529 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001326582834 849287046 /nfs/dbraw/zinc/28/70/46/849287046.db2.gz SOLPYUZJEDPXEI-GFCCVEGCSA-N -1 0 355.391 -0.889 20 0 FBADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001326582835 849287206 /nfs/dbraw/zinc/28/72/06/849287206.db2.gz SOLPYUZJEDPXEI-LBPRGKRZSA-N -1 0 355.391 -0.889 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCC(OCC(N)=O)CC1)C(=O)[O-] ZINC001326584061 849288293 /nfs/dbraw/zinc/28/82/93/849288293.db2.gz OVCWBZFZYKXKDP-LLVKDONJSA-N -1 0 357.407 -0.658 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCC(OCC(N)=O)CC1)C(=O)[O-] ZINC001326584062 849288196 /nfs/dbraw/zinc/28/81/96/849288196.db2.gz OVCWBZFZYKXKDP-NSHDSACASA-N -1 0 357.407 -0.658 20 0 FBADRM CC(C)CO[N-]C(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC001326606638 849292409 /nfs/dbraw/zinc/29/24/09/849292409.db2.gz PEYAKNZDSFOOQD-GFCCVEGCSA-N -1 0 365.452 -0.705 20 0 FBADRM CC(C)CO[N-]C(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC001326606640 849292191 /nfs/dbraw/zinc/29/21/91/849292191.db2.gz PEYAKNZDSFOOQD-LBPRGKRZSA-N -1 0 365.452 -0.705 20 0 FBADRM CC(C)(C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1)S(C)(=O)=O ZINC001326607724 849292756 /nfs/dbraw/zinc/29/27/56/849292756.db2.gz XHOAPCFWGOPKNZ-JTQLQIEISA-N -1 0 360.432 -0.266 20 0 FBADRM CC(C)(C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1)S(C)(=O)=O ZINC001326607725 849293115 /nfs/dbraw/zinc/29/31/15/849293115.db2.gz XHOAPCFWGOPKNZ-SNVBAGLBSA-N -1 0 360.432 -0.266 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)c1nnc2n1CCCCC2 ZINC001326617006 849295022 /nfs/dbraw/zinc/29/50/22/849295022.db2.gz NENVBXXCXWCRFV-SNVBAGLBSA-N -1 0 352.395 -0.634 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1ccc(C(=O)OC)cc1 ZINC001326617431 849294963 /nfs/dbraw/zinc/29/49/63/849294963.db2.gz RFINKBRPPSXJFQ-UHFFFAOYSA-N -1 0 351.359 -0.684 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1cccc(OC)c1OC ZINC001326618828 849294769 /nfs/dbraw/zinc/29/47/69/849294769.db2.gz ADDGPGDYZOXVOO-UHFFFAOYSA-N -1 0 353.375 -0.454 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cccc(C(=O)N(C)C)c1 ZINC001326619160 849294919 /nfs/dbraw/zinc/29/49/19/849294919.db2.gz IBGWBFLDMZSRTD-UHFFFAOYSA-N -1 0 350.375 -0.812 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc2c(c1)OCCCO2 ZINC001326634341 849297413 /nfs/dbraw/zinc/29/74/13/849297413.db2.gz VELCAHMSWIHENN-UHFFFAOYSA-N -1 0 351.359 -0.352 20 0 FBADRM Cn1c2sc(C(=O)[N-]S(=O)(=O)C(F)F)cc2c(=O)n(C)c1=O ZINC001326637795 849297616 /nfs/dbraw/zinc/29/76/16/849297616.db2.gz RFXTXHXCPSZDLS-UHFFFAOYSA-N -1 0 353.328 -0.419 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC001326638571 849297555 /nfs/dbraw/zinc/29/75/55/849297555.db2.gz WRWUVBRTRFWGPA-GFCCVEGCSA-N -1 0 361.445 -0.238 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC001326654969 849300698 /nfs/dbraw/zinc/30/06/98/849300698.db2.gz QFYRRHAAIPQXNO-BFHYXJOUSA-N -1 0 353.419 -0.463 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC001326654970 849300870 /nfs/dbraw/zinc/30/08/70/849300870.db2.gz QFYRRHAAIPQXNO-MJBXVCDLSA-N -1 0 353.419 -0.463 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCCS(=O)(=O)c1ccccc1 ZINC001326675179 849303589 /nfs/dbraw/zinc/30/35/89/849303589.db2.gz FANNGKHPEZLRDQ-UHFFFAOYSA-N -1 0 371.415 -0.850 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCN1CCc2sccc2C1 ZINC001326676327 849304509 /nfs/dbraw/zinc/30/45/09/849304509.db2.gz KLBWKCPMAZITDY-UHFFFAOYSA-N -1 0 354.432 -0.594 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 ZINC001326681035 849305536 /nfs/dbraw/zinc/30/55/36/849305536.db2.gz IPRXDOBXBVPIAA-UHFFFAOYSA-N -1 0 358.395 -0.847 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC1CCN(C(=O)CC(C)C)CC1 ZINC001326681240 849305515 /nfs/dbraw/zinc/30/55/15/849305515.db2.gz KYRGHTCGHSKXKT-UHFFFAOYSA-N -1 0 356.423 -0.676 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC001326681910 849305394 /nfs/dbraw/zinc/30/53/94/849305394.db2.gz NKBKNMKQAXXEPL-UHFFFAOYSA-N -1 0 368.356 -0.439 20 0 FBADRM Cc1c(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cnn1-c1ccncc1 ZINC001326692276 849306499 /nfs/dbraw/zinc/30/64/99/849306499.db2.gz FUNYRKXLQWFWNE-CYBMUJFWSA-N -1 0 364.383 -0.100 20 0 FBADRM Cc1c(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cnn1-c1ccncc1 ZINC001326692277 849306037 /nfs/dbraw/zinc/30/60/37/849306037.db2.gz FUNYRKXLQWFWNE-ZDUSSCGKSA-N -1 0 364.383 -0.100 20 0 FBADRM Cn1c(N2CCC(C(=O)[O-])([S@@](C)=O)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC001326694758 849307172 /nfs/dbraw/zinc/30/71/72/849307172.db2.gz ZMZAUNYGNMXBSS-RUZDIDTESA-N -1 0 369.403 -0.825 20 0 FBADRM Cn1c(N2CCC(C(=O)[O-])([S@](C)=O)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC001326694759 849307373 /nfs/dbraw/zinc/30/73/73/849307373.db2.gz ZMZAUNYGNMXBSS-VWLOTQADSA-N -1 0 369.403 -0.825 20 0 FBADRM CN(C)c1cccc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])c1 ZINC001326699308 849307418 /nfs/dbraw/zinc/30/74/18/849307418.db2.gz XHHHKTMGYVUGCG-AWEZNQCLSA-N -1 0 357.432 -0.184 20 0 FBADRM CN(C)c1cccc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])c1 ZINC001326699309 849307359 /nfs/dbraw/zinc/30/73/59/849307359.db2.gz XHHHKTMGYVUGCG-CQSZACIVSA-N -1 0 357.432 -0.184 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC001326701443 849308000 /nfs/dbraw/zinc/30/80/00/849308000.db2.gz FBGDRYXILYOPGV-UHFFFAOYSA-N -1 0 354.407 -0.969 20 0 FBADRM CCCCNC(=O)C1CCN(C(=O)C(=O)NCC(=O)[N-]OCC)CC1 ZINC001326703504 849308579 /nfs/dbraw/zinc/30/85/79/849308579.db2.gz WQBUHLVHKDUNHT-UHFFFAOYSA-N -1 0 356.423 -0.675 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC(C)(C)NC(=O)OC(C)(C)C ZINC001326710491 849310224 /nfs/dbraw/zinc/31/02/24/849310224.db2.gz MXNYFQWYWKCIDI-UHFFFAOYSA-N -1 0 360.411 -0.410 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(O)c(Br)c1 ZINC001326711320 849310608 /nfs/dbraw/zinc/31/06/08/849310608.db2.gz IZSPDFSJWSCCTN-UHFFFAOYSA-N -1 0 374.191 -0.045 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC001326712755 849311598 /nfs/dbraw/zinc/31/15/98/849311598.db2.gz QQTHLAWYUUMNGY-LLVKDONJSA-N -1 0 359.448 -0.269 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC001326712756 849311319 /nfs/dbraw/zinc/31/13/19/849311319.db2.gz QQTHLAWYUUMNGY-NSHDSACASA-N -1 0 359.448 -0.269 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(CCO)Cc1cccnc1Cl ZINC001326714910 849311581 /nfs/dbraw/zinc/31/15/81/849311581.db2.gz AUGLMHSSSWVNNO-UHFFFAOYSA-N -1 0 358.782 -0.760 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001326715325 849311238 /nfs/dbraw/zinc/31/12/38/849311238.db2.gz GZDSLTHXMXNNKP-INIZCTEOSA-N -1 0 353.350 -0.571 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC001326715561 849311077 /nfs/dbraw/zinc/31/10/77/849311077.db2.gz GZDSLTHXMXNNKP-MRXNPFEDSA-N -1 0 353.350 -0.571 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(OC)(C(F)(F)F)CC1 ZINC001326715628 849311256 /nfs/dbraw/zinc/31/12/56/849311256.db2.gz HYNAHLKETREVCD-UHFFFAOYSA-N -1 0 355.313 -0.260 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC001326716111 849311054 /nfs/dbraw/zinc/31/10/54/849311054.db2.gz MMKOOHAMMSWINP-UHFFFAOYSA-N -1 0 372.319 -0.785 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](CCC(=O)OCC)C1 ZINC001326716912 849311132 /nfs/dbraw/zinc/31/11/32/849311132.db2.gz SLMZEFFQLMFBQH-GFCCVEGCSA-N -1 0 357.407 -0.248 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H](CCC(=O)OCC)C1 ZINC001326717145 849311590 /nfs/dbraw/zinc/31/15/90/849311590.db2.gz SLMZEFFQLMFBQH-LBPRGKRZSA-N -1 0 357.407 -0.248 20 0 FBADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC001326717629 849311209 /nfs/dbraw/zinc/31/12/09/849311209.db2.gz ZWYMHMVDKFARNT-LLVKDONJSA-N -1 0 369.399 -0.455 20 0 FBADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC001326717630 849311353 /nfs/dbraw/zinc/31/13/53/849311353.db2.gz ZWYMHMVDKFARNT-NSHDSACASA-N -1 0 369.399 -0.455 20 0 FBADRM O=C([O-])[C@@]1(NS(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)CCOC1 ZINC001326724467 849313255 /nfs/dbraw/zinc/31/32/55/849313255.db2.gz ABEXRSNZRJSTCL-CYBMUJFWSA-N -1 0 361.397 -0.363 20 0 FBADRM O=C([O-])[C@]1(NS(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)CCOC1 ZINC001326724468 849312953 /nfs/dbraw/zinc/31/29/53/849312953.db2.gz ABEXRSNZRJSTCL-ZDUSSCGKSA-N -1 0 361.397 -0.363 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)C[C@H](C(=O)[O-])O1 ZINC001326724469 849312792 /nfs/dbraw/zinc/31/27/92/849312792.db2.gz ABIHCGYTSVYRQS-GMTAPVOTSA-N -1 0 355.434 -0.685 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)C[C@H](C(=O)[O-])O1 ZINC001326724470 849313054 /nfs/dbraw/zinc/31/30/54/849313054.db2.gz ABIHCGYTSVYRQS-OUAUKWLOSA-N -1 0 355.434 -0.685 20 0 FBADRM C[C@H]1OCCN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)[C@@H]1C(=O)[O-] ZINC001326727002 849312938 /nfs/dbraw/zinc/31/29/38/849312938.db2.gz RNHSAXKGPHOQFL-MXWKQRLJSA-N -1 0 355.434 -0.685 20 0 FBADRM C[C@H]1OCCN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)[C@@H]1C(=O)[O-] ZINC001326727003 849312945 /nfs/dbraw/zinc/31/29/45/849312945.db2.gz RNHSAXKGPHOQFL-VWYCJHECSA-N -1 0 355.434 -0.685 20 0 FBADRM CCCNC(=O)NC(=O)CN1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001326727005 849313281 /nfs/dbraw/zinc/31/32/81/849313281.db2.gz RRVSSAGUOZMITH-LLVKDONJSA-N -1 0 354.407 -0.380 20 0 FBADRM CCCNC(=O)NC(=O)CN1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001326727006 849313274 /nfs/dbraw/zinc/31/32/74/849313274.db2.gz RRVSSAGUOZMITH-NSHDSACASA-N -1 0 354.407 -0.380 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001326744749 849316748 /nfs/dbraw/zinc/31/67/48/849316748.db2.gz CJAYQFZNZPBRPL-UHFFFAOYSA-N -1 0 352.366 -0.342 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001326745983 849316575 /nfs/dbraw/zinc/31/65/75/849316575.db2.gz MSPIHJWINANYNY-SECBINFHSA-N -1 0 361.449 -0.371 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001326745984 849316596 /nfs/dbraw/zinc/31/65/96/849316596.db2.gz MSPIHJWINANYNY-VIFPVBQESA-N -1 0 361.449 -0.371 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(Cc2cccs2)CC1 ZINC001326746333 849316692 /nfs/dbraw/zinc/31/66/92/849316692.db2.gz LUKJQVADPPVGFO-UHFFFAOYSA-N -1 0 354.432 -0.424 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001326747518 849317416 /nfs/dbraw/zinc/31/74/16/849317416.db2.gz ZXMVGHDUOHZMHQ-SECBINFHSA-N -1 0 355.313 -0.260 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](OCC(F)(F)F)C1 ZINC001326747519 849317620 /nfs/dbraw/zinc/31/76/20/849317620.db2.gz ZXMVGHDUOHZMHQ-VIFPVBQESA-N -1 0 355.313 -0.260 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001326749618 849317451 /nfs/dbraw/zinc/31/74/51/849317451.db2.gz JVQDGECDAFYICV-JTQLQIEISA-N -1 0 358.395 -0.704 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC001326749671 849317530 /nfs/dbraw/zinc/31/75/30/849317530.db2.gz LQTPDSFWVRKPGT-JTQLQIEISA-N -1 0 355.313 -0.668 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC001326749672 849317551 /nfs/dbraw/zinc/31/75/51/849317551.db2.gz LQTPDSFWVRKPGT-SNVBAGLBSA-N -1 0 355.313 -0.668 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(OCCOC(C)C)CC1 ZINC001326750120 849317437 /nfs/dbraw/zinc/31/74/37/849317437.db2.gz NCLVEDMNKRULQW-UHFFFAOYSA-N -1 0 359.423 -0.397 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCN(c2nccs2)CC1 ZINC001326750186 849317735 /nfs/dbraw/zinc/31/77/35/849317735.db2.gz NZLICOMOCNGECG-UHFFFAOYSA-N -1 0 355.420 -0.634 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCOC[C@@H]1c1ccc(CC)o1 ZINC001326750899 849317428 /nfs/dbraw/zinc/31/74/28/849317428.db2.gz RAGWCVSGUOKYPD-GFCCVEGCSA-N -1 0 353.375 -0.074 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCOC[C@H]1c1ccc(CC)o1 ZINC001326750902 849317312 /nfs/dbraw/zinc/31/73/12/849317312.db2.gz RAGWCVSGUOKYPD-LBPRGKRZSA-N -1 0 353.375 -0.074 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001326751717 849317577 /nfs/dbraw/zinc/31/75/77/849317577.db2.gz TUBGUVQPVSICCS-SECBINFHSA-N -1 0 354.329 -0.735 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001326751722 849317240 /nfs/dbraw/zinc/31/72/40/849317240.db2.gz TUBGUVQPVSICCS-VIFPVBQESA-N -1 0 354.329 -0.735 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC001326751844 849317222 /nfs/dbraw/zinc/31/72/22/849317222.db2.gz UYVRRPUVNYQDDT-UHFFFAOYSA-N -1 0 357.407 -0.249 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(c2nc(C)c(C)s2)CC1 ZINC001326751887 849317492 /nfs/dbraw/zinc/31/74/92/849317492.db2.gz VOMKPGXFBINNFG-UHFFFAOYSA-N -1 0 369.447 -0.408 20 0 FBADRM CCN(c1ccccc1)S(=O)(=O)[N-]C(=O)Cn1nc(C)n(C)c1=O ZINC001326755045 849318396 /nfs/dbraw/zinc/31/83/96/849318396.db2.gz DBXUDYNTDRRZCD-UHFFFAOYSA-N -1 0 353.404 -0.222 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)Cc2csc(-c3nc[nH]n3)n2)cn1 ZINC001326756512 849318107 /nfs/dbraw/zinc/31/81/07/849318107.db2.gz LNNOTLFVJCRMPC-UHFFFAOYSA-N -1 0 367.416 -0.150 20 0 FBADRM CCOCCOCC(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C ZINC001326764572 849320052 /nfs/dbraw/zinc/32/00/52/849320052.db2.gz YWTZFLNUZCCSCK-UHFFFAOYSA-N -1 0 359.404 -0.359 20 0 FBADRM CCO[N-]C(=O)CNc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC001326764645 849319751 /nfs/dbraw/zinc/31/97/51/849319751.db2.gz LDMYOLWTCCMJSN-UHFFFAOYSA-N -1 0 356.404 -0.568 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 ZINC001326790767 849324259 /nfs/dbraw/zinc/32/42/59/849324259.db2.gz INUUHKXCCHLMPO-CYBMUJFWSA-N -1 0 350.331 -0.966 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC001326790775 849324633 /nfs/dbraw/zinc/32/46/33/849324633.db2.gz INUUHKXCCHLMPO-ZDUSSCGKSA-N -1 0 350.331 -0.966 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(C)c1S(C)(=O)=O ZINC001326790979 849324168 /nfs/dbraw/zinc/32/41/68/849324168.db2.gz MSQNUOYIHXZAQH-UHFFFAOYSA-N -1 0 357.388 -0.479 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1nc(C(C)(C)C(=O)OC)cs1 ZINC001326791563 849324437 /nfs/dbraw/zinc/32/44/37/849324437.db2.gz XYPZRAVHAQJRED-UHFFFAOYSA-N -1 0 372.403 -0.284 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 ZINC001326791643 849325119 /nfs/dbraw/zinc/32/51/19/849325119.db2.gz ZOVBWSKZUITJOQ-UHFFFAOYSA-N -1 0 350.331 -0.836 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)c2cn(C)nc2-c2cnn(C)c2)cn1 ZINC001326791822 849325291 /nfs/dbraw/zinc/32/52/91/849325291.db2.gz HCROBGKOHBSYKR-UHFFFAOYSA-N -1 0 363.403 -0.186 20 0 FBADRM NC(=O)c1cc(S(=O)(=O)[N-]C(=O)C2CCN(CC(F)F)CC2)on1 ZINC001326792734 849325147 /nfs/dbraw/zinc/32/51/47/849325147.db2.gz NFYSALDDQQSALU-UHFFFAOYSA-N -1 0 366.346 -0.445 20 0 FBADRM Cc1nn(CC(=O)[O-])c(C)c1CNS(=O)(=O)CCCS(C)(=O)=O ZINC001326797036 849325924 /nfs/dbraw/zinc/32/59/24/849325924.db2.gz HTDIKVWEZKOYTB-UHFFFAOYSA-N -1 0 367.449 -0.561 20 0 FBADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)CCNS(C)(=O)=O ZINC001326797112 849325811 /nfs/dbraw/zinc/32/58/11/849325811.db2.gz IZJQDCSXXXZCDH-UHFFFAOYSA-N -1 0 350.418 -0.137 20 0 FBADRM CCS(=O)(=O)C1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC001326797148 849326263 /nfs/dbraw/zinc/32/62/63/849326263.db2.gz KLPHLPPVHFKCQP-LLVKDONJSA-N -1 0 368.477 -0.073 20 0 FBADRM CCS(=O)(=O)C1CCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC001326797149 849326364 /nfs/dbraw/zinc/32/63/64/849326364.db2.gz KLPHLPPVHFKCQP-NSHDSACASA-N -1 0 368.477 -0.073 20 0 FBADRM COCC(C)(C)N1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC001326797540 849326204 /nfs/dbraw/zinc/32/62/04/849326204.db2.gz PPAPZNSQMAAQHP-UHFFFAOYSA-N -1 0 360.436 -0.301 20 0 FBADRM O=C([O-])[C@@]1(NS(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CCSC1 ZINC001326797560 849326218 /nfs/dbraw/zinc/32/62/18/849326218.db2.gz QBUMQYKBSNGOOD-GXSJLCMTSA-N -1 0 357.475 -0.309 20 0 FBADRM O=C([O-])[C@]1(NS(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CCSC1 ZINC001326797562 849325762 /nfs/dbraw/zinc/32/57/62/849325762.db2.gz QBUMQYKBSNGOOD-KOLCDFICSA-N -1 0 357.475 -0.309 20 0 FBADRM O=C([O-])[C@@]1(NS(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CCSC1 ZINC001326797564 849325960 /nfs/dbraw/zinc/32/59/60/849325960.db2.gz QBUMQYKBSNGOOD-MWLCHTKSSA-N -1 0 357.475 -0.309 20 0 FBADRM O=C([O-])[C@]1(NS(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CCSC1 ZINC001326797565 849325904 /nfs/dbraw/zinc/32/59/04/849325904.db2.gz QBUMQYKBSNGOOD-ONGXEEELSA-N -1 0 357.475 -0.309 20 0 FBADRM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC001326805136 849327258 /nfs/dbraw/zinc/32/72/58/849327258.db2.gz FYFMBEQIMUTEQE-CYBMUJFWSA-N -1 0 358.439 -0.280 20 0 FBADRM COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC001326805435 849326804 /nfs/dbraw/zinc/32/68/04/849326804.db2.gz FYFMBEQIMUTEQE-ZDUSSCGKSA-N -1 0 358.439 -0.280 20 0 FBADRM CNS(=O)(=O)C1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1 ZINC001326805830 849326665 /nfs/dbraw/zinc/32/66/65/849326665.db2.gz NYFKPDADDDDUAP-UHFFFAOYSA-N -1 0 363.436 -0.409 20 0 FBADRM COCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001326805982 849326712 /nfs/dbraw/zinc/32/67/12/849326712.db2.gz CXXOFXCNWVDROY-FRRDWIJNSA-N -1 0 357.451 -0.068 20 0 FBADRM COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001326805983 849327241 /nfs/dbraw/zinc/32/72/41/849327241.db2.gz CXXOFXCNWVDROY-RWMBFGLXSA-N -1 0 357.451 -0.068 20 0 FBADRM Cc1nc(CN2CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC2)cs1 ZINC001326807617 849327225 /nfs/dbraw/zinc/32/72/25/849327225.db2.gz QWZPXHGVGXESOQ-JTQLQIEISA-N -1 0 354.432 -0.067 20 0 FBADRM Cc1nc(CN2CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC2)cs1 ZINC001326807618 849326958 /nfs/dbraw/zinc/32/69/58/849326958.db2.gz QWZPXHGVGXESOQ-SNVBAGLBSA-N -1 0 354.432 -0.067 20 0 FBADRM Cn1nc2c(cc1=O)CN(C(=O)NCC1(C(=O)[O-])CCOCC1)CC2 ZINC001326810967 849328010 /nfs/dbraw/zinc/32/80/10/849328010.db2.gz RDYVBNDHXLKJRC-UHFFFAOYSA-N -1 0 350.375 -0.271 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)C(=O)[N-]OCCC(F)(F)F)C2=O)cn1 ZINC001326835850 849331664 /nfs/dbraw/zinc/33/16/64/849331664.db2.gz OFLXKBDPFJTFQW-SECBINFHSA-N -1 0 363.296 -0.358 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)C(=O)[N-]OCCC(F)(F)F)C2=O)cn1 ZINC001326835853 849331636 /nfs/dbraw/zinc/33/16/36/849331636.db2.gz OFLXKBDPFJTFQW-VIFPVBQESA-N -1 0 363.296 -0.358 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCc1ccccc1CS(C)(=O)=O)C(=O)[O-] ZINC001326844858 849332192 /nfs/dbraw/zinc/33/21/92/849332192.db2.gz GZIUMXVOVBFGEK-JTQLQIEISA-N -1 0 356.400 -0.316 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCc1ccccc1CS(C)(=O)=O)C(=O)[O-] ZINC001326844859 849332246 /nfs/dbraw/zinc/33/22/46/849332246.db2.gz GZIUMXVOVBFGEK-SNVBAGLBSA-N -1 0 356.400 -0.316 20 0 FBADRM CS(=O)(=O)NCc1ccc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)o1 ZINC001326872700 849337878 /nfs/dbraw/zinc/33/78/78/849337878.db2.gz BTUPPZVCXQWPGJ-ZUZCIYMTSA-N -1 0 372.399 -0.108 20 0 FBADRM COCC1(C(=O)[O-])CCN(S(=O)(=O)CCCS(C)(=O)=O)CC1 ZINC001326879459 849339251 /nfs/dbraw/zinc/33/92/51/849339251.db2.gz KYGYPUONBMUCCE-UHFFFAOYSA-N -1 0 357.450 -0.436 20 0 FBADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001326901328 849343184 /nfs/dbraw/zinc/34/31/84/849343184.db2.gz YDKAVMHEZWMACD-GHMZBOCLSA-N -1 0 351.446 -0.174 20 0 FBADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC001326901331 849342855 /nfs/dbraw/zinc/34/28/55/849342855.db2.gz YDKAVMHEZWMACD-MNOVXSKESA-N -1 0 351.446 -0.174 20 0 FBADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC001326901335 849342928 /nfs/dbraw/zinc/34/29/28/849342928.db2.gz YDKAVMHEZWMACD-QWRGUYRKSA-N -1 0 351.446 -0.174 20 0 FBADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001326901338 849342712 /nfs/dbraw/zinc/34/27/12/849342712.db2.gz YDKAVMHEZWMACD-WDEREUQCSA-N -1 0 351.446 -0.174 20 0 FBADRM CSCCO[N-]C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC001326904062 849343776 /nfs/dbraw/zinc/34/37/76/849343776.db2.gz AIBCJOKMZPRCER-UHFFFAOYSA-N -1 0 354.388 -0.749 20 0 FBADRM CSCCO[N-]C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC001326904123 849343813 /nfs/dbraw/zinc/34/38/13/849343813.db2.gz CUCDPCVHWHIDLP-UHFFFAOYSA-N -1 0 353.404 -0.633 20 0 FBADRM COc1cc2c(cc1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O)OCC(=O)N2 ZINC001326916172 849345305 /nfs/dbraw/zinc/34/53/05/849345305.db2.gz QNQXSEMMVAVVMK-UHFFFAOYSA-N -1 0 370.343 -0.887 20 0 FBADRM COCC(=O)NCCC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001326937126 849347271 /nfs/dbraw/zinc/34/72/71/849347271.db2.gz JIMAUNCQRKWVEL-LLVKDONJSA-N -1 0 355.391 -0.937 20 0 FBADRM COCC(=O)NCCC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001326937127 849348236 /nfs/dbraw/zinc/34/82/36/849348236.db2.gz JIMAUNCQRKWVEL-NSHDSACASA-N -1 0 355.391 -0.937 20 0 FBADRM CS(=O)(=O)CCCC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001326937997 849348331 /nfs/dbraw/zinc/34/83/31/849348331.db2.gz OHEWRFSOJYLSEA-LLVKDONJSA-N -1 0 360.432 -0.265 20 0 FBADRM CS(=O)(=O)CCCC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001326937999 849348064 /nfs/dbraw/zinc/34/80/64/849348064.db2.gz OHEWRFSOJYLSEA-NSHDSACASA-N -1 0 360.432 -0.265 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC001326939111 849348398 /nfs/dbraw/zinc/34/83/98/849348398.db2.gz YEUGNWKKGQUEQV-LLVKDONJSA-N -1 0 372.399 -0.578 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC001326939112 849348339 /nfs/dbraw/zinc/34/83/39/849348339.db2.gz YEUGNWKKGQUEQV-NSHDSACASA-N -1 0 372.399 -0.578 20 0 FBADRM O=S(=O)(CCCCS(=O)(=O)N1CC(CO)C1)[N-]c1cnsn1 ZINC001326940702 849348190 /nfs/dbraw/zinc/34/81/90/849348190.db2.gz RBKXYXOVKKWRNH-UHFFFAOYSA-N -1 0 370.478 -0.686 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC001326953394 849349539 /nfs/dbraw/zinc/34/95/39/849349539.db2.gz ZCEJYAVVUZOLDT-UHFFFAOYSA-N -1 0 358.301 -0.797 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1ccc(NC(C)=O)cc1 ZINC001326963883 849350782 /nfs/dbraw/zinc/35/07/82/849350782.db2.gz TUCVVKHOBNCOQQ-UHFFFAOYSA-N -1 0 350.375 -0.512 20 0 FBADRM C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCC(O)(c3nnn[n-]3)CC1)CS2 ZINC001326974165 849351535 /nfs/dbraw/zinc/35/15/35/849351535.db2.gz YGVJXISOMMJWDQ-NOZJJQNGSA-N -1 0 352.420 -0.536 20 0 FBADRM C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCC(O)(c3nnn[n-]3)CC1)CS2 ZINC001326974166 849351148 /nfs/dbraw/zinc/35/11/48/849351148.db2.gz YGVJXISOMMJWDQ-RNCFNFMXSA-N -1 0 352.420 -0.536 20 0 FBADRM C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCC(O)(c3nnn[n-]3)CC1)CS2 ZINC001326974167 849351171 /nfs/dbraw/zinc/35/11/71/849351171.db2.gz YGVJXISOMMJWDQ-TVQRCGJNSA-N -1 0 352.420 -0.536 20 0 FBADRM C[C@]12CCC(=O)N1[C@H](C(=O)N1CCC(O)(c3nnn[n-]3)CC1)CS2 ZINC001326974168 849351195 /nfs/dbraw/zinc/35/11/95/849351195.db2.gz YGVJXISOMMJWDQ-ZANVPECISA-N -1 0 352.420 -0.536 20 0 FBADRM C[C@@H](C(=O)[O-])C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC001326976874 849351406 /nfs/dbraw/zinc/35/14/06/849351406.db2.gz JDZGXQBWOGTLFT-GFCCVEGCSA-N -1 0 369.443 -0.040 20 0 FBADRM C[C@H](C(=O)[O-])C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC001326976876 849351519 /nfs/dbraw/zinc/35/15/19/849351519.db2.gz JDZGXQBWOGTLFT-LBPRGKRZSA-N -1 0 369.443 -0.040 20 0 FBADRM COC(=O)Cn1ncc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1C ZINC001326990615 849352815 /nfs/dbraw/zinc/35/28/15/849352815.db2.gz IVZZXPMFTPRICR-VHSXEESVSA-N -1 0 352.347 -0.327 20 0 FBADRM COc1cc(NC(=O)C(=O)N(CCC(=O)[O-])C2CCOCC2)ncn1 ZINC001326990634 849353239 /nfs/dbraw/zinc/35/32/39/849353239.db2.gz JBFIJPQKHRENOD-UHFFFAOYSA-N -1 0 352.347 -0.094 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC3(CNC(=O)C3)CC2)CC1 ZINC001326991554 849352888 /nfs/dbraw/zinc/35/28/88/849352888.db2.gz SURGHFMYCIHWQI-UHFFFAOYSA-N -1 0 351.403 -0.172 20 0 FBADRM COC(=O)N1CCCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC001326992030 849352878 /nfs/dbraw/zinc/35/28/78/849352878.db2.gz XFSATLSQQZNWTM-NEPJUHHUSA-N -1 0 355.391 -0.144 20 0 FBADRM COC(=O)N1CCCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC001326992031 849353209 /nfs/dbraw/zinc/35/32/09/849353209.db2.gz XFSATLSQQZNWTM-NWDGAFQWSA-N -1 0 355.391 -0.144 20 0 FBADRM COC(=O)N1CCCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC001326992032 849353077 /nfs/dbraw/zinc/35/30/77/849353077.db2.gz XFSATLSQQZNWTM-RYUDHWBXSA-N -1 0 355.391 -0.144 20 0 FBADRM COC(=O)N1CCCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC001326992033 849353365 /nfs/dbraw/zinc/35/33/65/849353365.db2.gz XFSATLSQQZNWTM-VXGBXAGGSA-N -1 0 355.391 -0.144 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001326994102 849353719 /nfs/dbraw/zinc/35/37/19/849353719.db2.gz HLIAQXLKBWKQHI-HNNXBMFYSA-N -1 0 368.415 -0.495 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@]1(C)CCC(=O)NC1 ZINC001326994104 849354043 /nfs/dbraw/zinc/35/40/43/849354043.db2.gz HLIAQXLKBWKQHI-OAHLLOKOSA-N -1 0 368.415 -0.495 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)[C@@]3(C)CCC(=O)NC3)cnc21 ZINC001326994801 849353785 /nfs/dbraw/zinc/35/37/85/849353785.db2.gz MSFLXSDPUCGJCC-AWEZNQCLSA-N -1 0 351.388 -0.311 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)[C@]3(C)CCC(=O)NC3)cnc21 ZINC001326994804 849353639 /nfs/dbraw/zinc/35/36/39/849353639.db2.gz MSFLXSDPUCGJCC-CQSZACIVSA-N -1 0 351.388 -0.311 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cc(COC(C)(C)C)on1 ZINC001326998336 849354608 /nfs/dbraw/zinc/35/46/08/849354608.db2.gz HOAHUPJWVJWBOX-UHFFFAOYSA-N -1 0 356.379 -0.210 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC001326998382 849354749 /nfs/dbraw/zinc/35/47/49/849354749.db2.gz IGMTWWRUFZPIOA-JTQLQIEISA-N -1 0 353.354 -0.901 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC001326998383 849354568 /nfs/dbraw/zinc/35/45/68/849354568.db2.gz IGMTWWRUFZPIOA-SNVBAGLBSA-N -1 0 353.354 -0.901 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC001326998620 849354429 /nfs/dbraw/zinc/35/44/29/849354429.db2.gz IWZWYEQRBYILMP-GFCCVEGCSA-N -1 0 354.407 -0.922 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC001326998621 849354939 /nfs/dbraw/zinc/35/49/39/849354939.db2.gz IWZWYEQRBYILMP-LBPRGKRZSA-N -1 0 354.407 -0.922 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cnn(CC(F)(F)F)c1 ZINC001326999227 849354707 /nfs/dbraw/zinc/35/47/07/849354707.db2.gz OQNJWDHVEMYXTN-UHFFFAOYSA-N -1 0 351.285 -0.755 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)C1CCN(C(=O)OC)CC1 ZINC001327000705 849354950 /nfs/dbraw/zinc/35/49/50/849354950.db2.gz ZCWWYQJTHCKZRC-JTQLQIEISA-N -1 0 358.395 -0.847 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)C1CCN(C(=O)OC)CC1 ZINC001327000706 849355000 /nfs/dbraw/zinc/35/50/00/849355000.db2.gz ZCWWYQJTHCKZRC-SNVBAGLBSA-N -1 0 358.395 -0.847 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC001327001189 849354982 /nfs/dbraw/zinc/35/49/82/849354982.db2.gz WCYFGDMCVYMNBR-CCGUKBGLSA-N -1 0 355.416 -0.215 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC001327001190 849355006 /nfs/dbraw/zinc/35/50/06/849355006.db2.gz WCYFGDMCVYMNBR-JUZXBQNTSA-N -1 0 355.416 -0.215 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC001327001191 849354762 /nfs/dbraw/zinc/35/47/62/849354762.db2.gz WCYFGDMCVYMNBR-VKTRGTBVSA-N -1 0 355.416 -0.215 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)c1ccc([S@](C)=O)cc1 ZINC001327001192 849354737 /nfs/dbraw/zinc/35/47/37/849354737.db2.gz WCYFGDMCVYMNBR-ZZDSUILFSA-N -1 0 355.416 -0.215 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)[C@H](CO)c1ccc(OC)cc1 ZINC001327036716 849360747 /nfs/dbraw/zinc/36/07/47/849360747.db2.gz BEJUCAZZQUDYGX-CYBMUJFWSA-N -1 0 353.375 -0.629 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)[C@@H](CO)c1ccc(OC)cc1 ZINC001327036717 849360826 /nfs/dbraw/zinc/36/08/26/849360826.db2.gz BEJUCAZZQUDYGX-ZDUSSCGKSA-N -1 0 353.375 -0.629 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(Cc2csc(C)n2)CC1 ZINC001327037658 849361529 /nfs/dbraw/zinc/36/15/29/849361529.db2.gz HHBXVPMEYYOILM-UHFFFAOYSA-N -1 0 369.447 -0.720 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001327037912 849361811 /nfs/dbraw/zinc/36/18/11/849361811.db2.gz JVQDGECDAFYICV-SNVBAGLBSA-N -1 0 358.395 -0.704 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC001327038410 849361676 /nfs/dbraw/zinc/36/16/76/849361676.db2.gz MQJZQQNVJGRSJI-JTQLQIEISA-N -1 0 360.411 -0.458 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C ZINC001327038411 849361595 /nfs/dbraw/zinc/36/15/95/849361595.db2.gz MQJZQQNVJGRSJI-SNVBAGLBSA-N -1 0 360.411 -0.458 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F ZINC001327038453 849361855 /nfs/dbraw/zinc/36/18/55/849361855.db2.gz OAQWJGPPKLQZDX-UHFFFAOYSA-N -1 0 365.312 -0.419 20 0 FBADRM CCC[C@@H]1CN(C(=O)C(=O)NCC(=O)[N-]OCC)CCN1CCOC ZINC001327038771 849361999 /nfs/dbraw/zinc/36/19/99/849361999.db2.gz PEUUANDHEFONLC-CYBMUJFWSA-N -1 0 358.439 -0.870 20 0 FBADRM CCC[C@H]1CN(C(=O)C(=O)NCC(=O)[N-]OCC)CCN1CCOC ZINC001327038772 849362044 /nfs/dbraw/zinc/36/20/44/849362044.db2.gz PEUUANDHEFONLC-ZDUSSCGKSA-N -1 0 358.439 -0.870 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)C1 ZINC001327053067 849365111 /nfs/dbraw/zinc/36/51/11/849365111.db2.gz BNPRPVURIWJXNO-MDZLAQPJSA-N -1 0 351.403 -0.127 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)C1 ZINC001327053068 849365037 /nfs/dbraw/zinc/36/50/37/849365037.db2.gz BNPRPVURIWJXNO-WZRBSPASSA-N -1 0 351.403 -0.127 20 0 FBADRM COc1cccnc1CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001327053069 849364869 /nfs/dbraw/zinc/36/48/69/849364869.db2.gz BNRJAMFBLAGMRM-UHFFFAOYSA-N -1 0 351.359 -0.296 20 0 FBADRM Cc1cc(C[C@H](C)NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)[nH]n1 ZINC001327053406 849365239 /nfs/dbraw/zinc/36/52/39/849365239.db2.gz DAFDEPQFIMPFCD-JTQLQIEISA-N -1 0 352.391 -0.237 20 0 FBADRM Cc1cc(C[C@@H](C)NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)[nH]n1 ZINC001327053407 849365077 /nfs/dbraw/zinc/36/50/77/849365077.db2.gz DAFDEPQFIMPFCD-SNVBAGLBSA-N -1 0 352.391 -0.237 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCCN2CCCC2=O)CCOCC1 ZINC001327053829 849365303 /nfs/dbraw/zinc/36/53/03/849365303.db2.gz FGSILROPCKDALG-UHFFFAOYSA-N -1 0 355.391 -0.887 20 0 FBADRM Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001327054024 849365259 /nfs/dbraw/zinc/36/52/59/849365259.db2.gz HIBGFBJRMCCZKF-JTQLQIEISA-N -1 0 352.391 -0.097 20 0 FBADRM Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001327054027 849365545 /nfs/dbraw/zinc/36/55/45/849365545.db2.gz HIBGFBJRMCCZKF-SNVBAGLBSA-N -1 0 352.391 -0.097 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC001327055512 849366609 /nfs/dbraw/zinc/36/66/09/849366609.db2.gz MYNAYRCBBDTWET-UHFFFAOYSA-N -1 0 354.384 -0.386 20 0 FBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC001327056307 849366635 /nfs/dbraw/zinc/36/66/35/849366635.db2.gz SGTSIGDJDZZGIW-QJPTWQEYSA-N -1 0 360.432 -0.218 20 0 FBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC001327056308 849366043 /nfs/dbraw/zinc/36/60/43/849366043.db2.gz SGTSIGDJDZZGIW-TUAOUCFPSA-N -1 0 360.432 -0.218 20 0 FBADRM Cc1nccn1CCCNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001327056843 849366320 /nfs/dbraw/zinc/36/63/20/849366320.db2.gz WXTYAHLCSBHZPO-UHFFFAOYSA-N -1 0 352.391 -0.305 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1c[nH]c(=O)c(Br)c1 ZINC001327067073 849367252 /nfs/dbraw/zinc/36/72/52/849367252.db2.gz IHTHWNJJJSCASP-UHFFFAOYSA-N -1 0 366.193 -0.255 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC001327067654 849367386 /nfs/dbraw/zinc/36/73/86/849367386.db2.gz LHUOTGDUEHZIIW-UHFFFAOYSA-N -1 0 367.383 -0.464 20 0 FBADRM Cc1cnn(-c2c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(C)nn2C)c1 ZINC001327068585 849367180 /nfs/dbraw/zinc/36/71/80/849367180.db2.gz QCTBDQFGMYXQTA-UHFFFAOYSA-N -1 0 368.419 -0.582 20 0 FBADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001327073978 849368034 /nfs/dbraw/zinc/36/80/34/849368034.db2.gz RQAJTTCESYLDNK-JTQLQIEISA-N -1 0 374.419 -0.916 20 0 FBADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001327073979 849368028 /nfs/dbraw/zinc/36/80/28/849368028.db2.gz RQAJTTCESYLDNK-SNVBAGLBSA-N -1 0 374.419 -0.916 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC001327079152 849369624 /nfs/dbraw/zinc/36/96/24/849369624.db2.gz VLVRVWVBPUNGCU-UHFFFAOYSA-N -1 0 353.466 -0.815 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)Cc2nc3ncccn3n2)ccc1[O-] ZINC001327094076 849372009 /nfs/dbraw/zinc/37/20/09/849372009.db2.gz ABBGDUJSFMLWPJ-UHFFFAOYSA-N -1 0 362.371 -0.081 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)[N-]S(=O)(=O)c2cc[nH]n2)CC1 ZINC001327095468 849372274 /nfs/dbraw/zinc/37/22/74/849372274.db2.gz AXCXZEOYEBHRTQ-UHFFFAOYSA-N -1 0 350.422 -0.724 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)c2cn(CC3(C)COC3)nn2)cn1 ZINC001327095655 849371948 /nfs/dbraw/zinc/37/19/48/849371948.db2.gz CLEJQQHWDWCTSG-UHFFFAOYSA-N -1 0 354.392 -0.692 20 0 FBADRM CN(C)C(=O)N1CCC(C(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)CC1 ZINC001327096914 849373357 /nfs/dbraw/zinc/37/33/57/849373357.db2.gz KUHCBOWGFWPSNK-UHFFFAOYSA-N -1 0 357.436 -0.240 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC001327098437 849373049 /nfs/dbraw/zinc/37/30/49/849373049.db2.gz YAZVNXRVKKVYGW-UHFFFAOYSA-N -1 0 364.449 -0.713 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)CC1 ZINC001327099462 849372908 /nfs/dbraw/zinc/37/29/08/849372908.db2.gz QHMWOPILUQXWGL-GFCCVEGCSA-N -1 0 356.452 -0.033 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)N2CCC[C@H](c3nnn[n-]3)C2)CC1 ZINC001327099463 849373410 /nfs/dbraw/zinc/37/34/10/849373410.db2.gz QHMWOPILUQXWGL-LBPRGKRZSA-N -1 0 356.452 -0.033 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)s1 ZINC001327138151 849376676 /nfs/dbraw/zinc/37/66/76/849376676.db2.gz PRJKZCLIRGOENA-UHFFFAOYSA-N -1 0 373.420 -0.418 20 0 FBADRM CC(C)[C@@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001327151997 849377654 /nfs/dbraw/zinc/37/76/54/849377654.db2.gz WKONJGOMUSRXFA-GFCCVEGCSA-N -1 0 364.468 -0.780 20 0 FBADRM CC(C)[C@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001327151998 849377336 /nfs/dbraw/zinc/37/73/36/849377336.db2.gz WKONJGOMUSRXFA-LBPRGKRZSA-N -1 0 364.468 -0.780 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN(C2CCOCC2)CC1)C(=O)[O-] ZINC001327159166 849378352 /nfs/dbraw/zinc/37/83/52/849378352.db2.gz GSNLJZWLNFQNKE-AWEZNQCLSA-N -1 0 355.435 -0.217 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C2CCOCC2)CC1)C(=O)[O-] ZINC001327159168 849378596 /nfs/dbraw/zinc/37/85/96/849378596.db2.gz GSNLJZWLNFQNKE-CQSZACIVSA-N -1 0 355.435 -0.217 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NC1CCN(C(=O)c2ccco2)CC1)C(=O)[O-] ZINC001327161003 849378583 /nfs/dbraw/zinc/37/85/83/849378583.db2.gz QURIHBWVLAWIJY-JTQLQIEISA-N -1 0 351.359 -0.163 20 0 FBADRM C[C@H](CNC(=O)C(=O)NC1CCN(C(=O)c2ccco2)CC1)C(=O)[O-] ZINC001327161004 849378689 /nfs/dbraw/zinc/37/86/89/849378689.db2.gz QURIHBWVLAWIJY-SNVBAGLBSA-N -1 0 351.359 -0.163 20 0 FBADRM Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)c(=O)[nH]1 ZINC001327171553 849379379 /nfs/dbraw/zinc/37/93/79/849379379.db2.gz LNKLWORCZVAVFV-UHFFFAOYSA-N -1 0 351.388 -0.011 20 0 FBADRM O=C([O-])c1cn(CC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)nn1 ZINC001327189648 849381690 /nfs/dbraw/zinc/38/16/90/849381690.db2.gz OVPDVIBKNJGHCK-UHFFFAOYSA-N -1 0 371.419 -0.607 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCC1N=NC(=S)N1C1CC1 ZINC001327192206 849381788 /nfs/dbraw/zinc/38/17/88/849381788.db2.gz OHRDKYDHKHDQAL-UHFFFAOYSA-N -1 0 360.403 -0.355 20 0 FBADRM CCN(C)C(=O)CNC(=O)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC001327196074 849381776 /nfs/dbraw/zinc/38/17/76/849381776.db2.gz DOKUUXSLMMBMIB-UHFFFAOYSA-N -1 0 365.415 -0.050 20 0 FBADRM C[C@@H](CNS(=O)(=O)c1cnn(CC(=O)[O-])c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001327197642 849381877 /nfs/dbraw/zinc/38/18/77/849381877.db2.gz QDHUDFZMCWXUSG-SDDRHHMPSA-N -1 0 360.436 -0.256 20 0 FBADRM C[C@H](CNS(=O)(=O)c1cnn(CC(=O)[O-])c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001327197644 849382136 /nfs/dbraw/zinc/38/21/36/849382136.db2.gz QDHUDFZMCWXUSG-UTUOFQBUSA-N -1 0 360.436 -0.256 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC001327203934 849383288 /nfs/dbraw/zinc/38/32/88/849383288.db2.gz YTKQFFMADSAJAW-UHFFFAOYSA-N -1 0 357.436 -0.073 20 0 FBADRM CSCC[C@@H](NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001327235834 849389561 /nfs/dbraw/zinc/38/95/61/849389561.db2.gz UULXCZDFUPJFHL-NXEZZACHSA-N -1 0 359.491 -0.063 20 0 FBADRM CSCC[C@@H](NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001327235835 849389282 /nfs/dbraw/zinc/38/92/82/849389282.db2.gz UULXCZDFUPJFHL-VHSXEESVSA-N -1 0 359.491 -0.063 20 0 FBADRM O=C([O-])[C@H](C[C@@H]1CCOC1)NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001327236270 849389341 /nfs/dbraw/zinc/38/93/41/849389341.db2.gz XMTQRQHJYGFWED-SRVKXCTJSA-N -1 0 369.461 -0.390 20 0 FBADRM O=C([O-])[C@H](C[C@@H]1CCOC1)NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001327236272 849389377 /nfs/dbraw/zinc/38/93/77/849389377.db2.gz XMTQRQHJYGFWED-TUAOUCFPSA-N -1 0 369.461 -0.390 20 0 FBADRM O=C([O-])[C@H](C[C@H]1CCOC1)NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001327236275 849389226 /nfs/dbraw/zinc/38/92/26/849389226.db2.gz XMTQRQHJYGFWED-UTUOFQBUSA-N -1 0 369.461 -0.390 20 0 FBADRM O=C([O-])[C@H](C[C@H]1CCOC1)NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001327236278 849389142 /nfs/dbraw/zinc/38/91/42/849389142.db2.gz XMTQRQHJYGFWED-WOPDTQHZSA-N -1 0 369.461 -0.390 20 0 FBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H](CCC(=O)[O-])CN1CCOCC1 ZINC001327236530 849388935 /nfs/dbraw/zinc/38/89/35/849388935.db2.gz ZVYLJBRNSVZKRA-AVGNSLFASA-N -1 0 350.437 -0.351 20 0 FBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@H](CCC(=O)[O-])CN1CCOCC1 ZINC001327236531 849389180 /nfs/dbraw/zinc/38/91/80/849389180.db2.gz ZVYLJBRNSVZKRA-RWMBFGLXSA-N -1 0 350.437 -0.351 20 0 FBADRM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H](CCC(=O)[O-])CN1CCOCC1 ZINC001327236532 849389099 /nfs/dbraw/zinc/38/90/99/849389099.db2.gz ZVYLJBRNSVZKRA-XQQFMLRXSA-N -1 0 350.437 -0.351 20 0 FBADRM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@H](CCC(=O)[O-])CN1CCOCC1 ZINC001327236533 849389109 /nfs/dbraw/zinc/38/91/09/849389109.db2.gz ZVYLJBRNSVZKRA-YNEHKIRRSA-N -1 0 350.437 -0.351 20 0 FBADRM NC(=O)C1(CNS(=O)(=O)c2cccc(CC(=O)[O-])c2)CCOCC1 ZINC001327239112 849389525 /nfs/dbraw/zinc/38/95/25/849389525.db2.gz BTLZDDQHYOCHOD-UHFFFAOYSA-N -1 0 356.400 -0.126 20 0 FBADRM CC[C@@H](C(=O)[O-])N(C)CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001327240872 849388892 /nfs/dbraw/zinc/38/88/92/849388892.db2.gz RRZNAAOTMSKAGC-NEPJUHHUSA-N -1 0 350.437 -0.557 20 0 FBADRM CC[C@H](C(=O)[O-])N(C)CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC001327240873 849389010 /nfs/dbraw/zinc/38/90/10/849389010.db2.gz RRZNAAOTMSKAGC-NWDGAFQWSA-N -1 0 350.437 -0.557 20 0 FBADRM CC[C@@H](C(=O)[O-])N(C)CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC001327240874 849389156 /nfs/dbraw/zinc/38/91/56/849389156.db2.gz RRZNAAOTMSKAGC-RYUDHWBXSA-N -1 0 350.437 -0.557 20 0 FBADRM CC[C@H](C(=O)[O-])N(C)CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001327240875 849389276 /nfs/dbraw/zinc/38/92/76/849389276.db2.gz RRZNAAOTMSKAGC-VXGBXAGGSA-N -1 0 350.437 -0.557 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)NCc2ccon2)n1 ZINC001327250721 849390823 /nfs/dbraw/zinc/39/08/23/849390823.db2.gz JJUXZJIENUBYPO-UHFFFAOYSA-N -1 0 363.421 -0.341 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CO)C[C@@H]1NC(=O)C(F)(F)F ZINC001327258059 849392410 /nfs/dbraw/zinc/39/24/10/849392410.db2.gz SUSMZBKDWSDOLE-MXWKQRLJSA-N -1 0 365.352 -0.115 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 ZINC001327262871 849393477 /nfs/dbraw/zinc/39/34/77/849393477.db2.gz DOHMYJYMPFVRBV-UHFFFAOYSA-N -1 0 371.415 -0.145 20 0 FBADRM O=C([O-])[C@H](c1cccnc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC001327323182 849403471 /nfs/dbraw/zinc/40/34/71/849403471.db2.gz KYYDUCQTAFWSGU-AWEZNQCLSA-N -1 0 370.431 -0.598 20 0 FBADRM O=C([O-])[C@@H](c1cccnc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC001327323183 849403286 /nfs/dbraw/zinc/40/32/86/849403286.db2.gz KYYDUCQTAFWSGU-CQSZACIVSA-N -1 0 370.431 -0.598 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 ZINC001327323194 849403048 /nfs/dbraw/zinc/40/30/48/849403048.db2.gz FWETUDFCZMEKGU-UHFFFAOYSA-N -1 0 354.338 -0.350 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C ZINC001327324944 849403990 /nfs/dbraw/zinc/40/39/90/849403990.db2.gz RHPLMFWYOYGZNQ-UHFFFAOYSA-N -1 0 350.331 -0.836 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC001327325267 849404095 /nfs/dbraw/zinc/40/40/95/849404095.db2.gz SGXPRNHKNAIJIF-UHFFFAOYSA-N -1 0 357.388 -0.646 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccnc1N1CCOCC1 ZINC001327325528 849404041 /nfs/dbraw/zinc/40/40/41/849404041.db2.gz WQSYZPHEMCLTRL-UHFFFAOYSA-N -1 0 351.363 -0.959 20 0 FBADRM Cn1nnc(CN2CCN(S(=O)(=O)c3cc(C(=O)[O-])cs3)CC2)n1 ZINC001327341666 849406241 /nfs/dbraw/zinc/40/62/41/849406241.db2.gz PVZRAAROWMDQOO-UHFFFAOYSA-N -1 0 372.432 -0.524 20 0 FBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])c1 ZINC001327381226 849413403 /nfs/dbraw/zinc/41/34/03/849413403.db2.gz DWGPSTITRMVMCY-CYBMUJFWSA-N -1 0 371.415 -0.842 20 0 FBADRM Cc1cc(C(N)=O)cc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])c1 ZINC001327381228 849413192 /nfs/dbraw/zinc/41/31/92/849413192.db2.gz DWGPSTITRMVMCY-ZDUSSCGKSA-N -1 0 371.415 -0.842 20 0 FBADRM CO[C@@H](CS(=O)(=O)[N-]c1ncnn1-c1ccncc1)[C@H]1CCOC1 ZINC001327385380 849413990 /nfs/dbraw/zinc/41/39/90/849413990.db2.gz BYBTYPRZODPSLL-AAEUAGOBSA-N -1 0 353.404 -0.123 20 0 FBADRM CO[C@H](CS(=O)(=O)[N-]c1ncnn1-c1ccncc1)[C@@H]1CCOC1 ZINC001327385381 849414098 /nfs/dbraw/zinc/41/40/98/849414098.db2.gz BYBTYPRZODPSLL-DGCLKSJQSA-N -1 0 353.404 -0.123 20 0 FBADRM CO[C@H](CS(=O)(=O)[N-]c1ncnn1-c1ccncc1)[C@H]1CCOC1 ZINC001327385382 849414391 /nfs/dbraw/zinc/41/43/91/849414391.db2.gz BYBTYPRZODPSLL-WCQYABFASA-N -1 0 353.404 -0.123 20 0 FBADRM CO[C@@H](CS(=O)(=O)[N-]c1ncnn1-c1ccncc1)[C@@H]1CCOC1 ZINC001327385383 849414025 /nfs/dbraw/zinc/41/40/25/849414025.db2.gz BYBTYPRZODPSLL-YPMHNXCESA-N -1 0 353.404 -0.123 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C(=O)Nc3ccon3)CC2)C1 ZINC001327391125 849414865 /nfs/dbraw/zinc/41/48/65/849414865.db2.gz LATGPYJHWNVPLF-SECBINFHSA-N -1 0 350.331 -0.463 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C(=O)Nc3ccon3)CC2)C1 ZINC001327391126 849414959 /nfs/dbraw/zinc/41/49/59/849414959.db2.gz LATGPYJHWNVPLF-VIFPVBQESA-N -1 0 350.331 -0.463 20 0 FBADRM C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)C[C@H](C(=O)[O-])O1 ZINC001327391673 849415745 /nfs/dbraw/zinc/41/57/45/849415745.db2.gz NVBGCHLNKWCMMD-DGCLKSJQSA-N -1 0 371.415 -0.219 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC001327391960 849415790 /nfs/dbraw/zinc/41/57/90/849415790.db2.gz NSHPUWRHDNXLRC-UHFFFAOYSA-N -1 0 365.452 -0.561 20 0 FBADRM CCO[N-]C(=O)CNC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1 ZINC001327426900 849424989 /nfs/dbraw/zinc/42/49/89/849424989.db2.gz KMOZHPGGEZIHKR-UHFFFAOYSA-N -1 0 355.347 -0.635 20 0 FBADRM CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001327443608 849428402 /nfs/dbraw/zinc/42/84/02/849428402.db2.gz AYFGJUDLBXEGSI-SECBINFHSA-N -1 0 353.379 -0.518 20 0 FBADRM CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001327443609 849428058 /nfs/dbraw/zinc/42/80/58/849428058.db2.gz AYFGJUDLBXEGSI-VIFPVBQESA-N -1 0 353.379 -0.518 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)C1(n2cnnn2)CCOCC1 ZINC001327443987 849428037 /nfs/dbraw/zinc/42/80/37/849428037.db2.gz DMLJPEHQGWIRTP-UHFFFAOYSA-N -1 0 369.407 -0.966 20 0 FBADRM Cc1nc2sccc2c(=O)n1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001327444195 849428202 /nfs/dbraw/zinc/42/82/02/849428202.db2.gz VCUJDYZZDVHLIY-UHFFFAOYSA-N -1 0 357.355 -0.079 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C)[C@H]1CCOC1 ZINC001327444459 849427937 /nfs/dbraw/zinc/42/79/37/849427937.db2.gz IGLAKYMNMJTKMH-CMPLNLGQSA-N -1 0 371.415 -0.360 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C)[C@H]1CCOC1 ZINC001327444461 849428192 /nfs/dbraw/zinc/42/81/92/849428192.db2.gz IGLAKYMNMJTKMH-JQWIXIFHSA-N -1 0 371.415 -0.360 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C)[C@@H]1CCOC1 ZINC001327444463 849428370 /nfs/dbraw/zinc/42/83/70/849428370.db2.gz IGLAKYMNMJTKMH-PWSUYJOCSA-N -1 0 371.415 -0.360 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C)[C@@H]1CCOC1 ZINC001327444464 849428183 /nfs/dbraw/zinc/42/81/83/849428183.db2.gz IGLAKYMNMJTKMH-ZYHUDNBSSA-N -1 0 371.415 -0.360 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CCc2cn(C)nn2)s1 ZINC001327444800 849428379 /nfs/dbraw/zinc/42/83/79/849428379.db2.gz MUPFLWCOPLWJTK-UHFFFAOYSA-N -1 0 371.444 -0.050 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)n1 ZINC001327445784 849428048 /nfs/dbraw/zinc/42/80/48/849428048.db2.gz YBYJCCZZIURMMZ-AOOOYVTPSA-N -1 0 352.347 -0.733 20 0 FBADRM COC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC001327445924 849428240 /nfs/dbraw/zinc/42/82/40/849428240.db2.gz ZDBCKUQWCRYLKC-LLVKDONJSA-N -1 0 364.445 -0.107 20 0 FBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC001327445925 849428266 /nfs/dbraw/zinc/42/82/66/849428266.db2.gz ZDBCKUQWCRYLKC-NSHDSACASA-N -1 0 364.445 -0.107 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)n1 ZINC001327456686 849429655 /nfs/dbraw/zinc/42/96/55/849429655.db2.gz CRGKRDGUDOPBMM-UHFFFAOYSA-N -1 0 351.363 -0.719 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)s2)CC1 ZINC001327456760 849429693 /nfs/dbraw/zinc/42/96/93/849429693.db2.gz BOQWKFWLDGFNOD-UHFFFAOYSA-N -1 0 359.429 -0.083 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2nnn(C(C)(C)C)n2)CC1 ZINC001327457030 849429660 /nfs/dbraw/zinc/42/96/60/849429660.db2.gz FJDUCJINCRJHEY-UHFFFAOYSA-N -1 0 358.424 -0.501 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C2(n3cnnn3)CCOCC2)cn1 ZINC001327457276 849429715 /nfs/dbraw/zinc/42/97/15/849429715.db2.gz JUCUOHSRVBTMHX-UHFFFAOYSA-N -1 0 352.376 -0.613 20 0 FBADRM O=C([O-])c1cn(C2CCN(C(=O)CCN3CCCS3(=O)=O)CC2)nn1 ZINC001327457287 849429790 /nfs/dbraw/zinc/42/97/90/849429790.db2.gz KXKLQFRXUFTRPC-UHFFFAOYSA-N -1 0 371.419 -0.435 20 0 FBADRM CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC001327457301 849429604 /nfs/dbraw/zinc/42/96/04/849429604.db2.gz LLHKTONPDPTVCG-MRVPVSSYSA-N -1 0 373.456 -0.018 20 0 FBADRM CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC001327457302 849429616 /nfs/dbraw/zinc/42/96/16/849429616.db2.gz LLHKTONPDPTVCG-QMMMGPOBSA-N -1 0 373.456 -0.018 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)c3nnn(C(C)(C)C)n3)cnc21 ZINC001327457444 849429700 /nfs/dbraw/zinc/42/97/00/849429700.db2.gz NDWAZOCPPMSIMO-UHFFFAOYSA-N -1 0 364.391 -0.172 20 0 FBADRM CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)C2CCN(C(C)=O)CC2)cn1 ZINC001327457658 849429612 /nfs/dbraw/zinc/42/96/12/849429612.db2.gz QHEKPTZTTYBJJL-UHFFFAOYSA-N -1 0 368.415 -0.488 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2cc(C(N)=O)cs2)CC1 ZINC001327457677 849429802 /nfs/dbraw/zinc/42/98/02/849429802.db2.gz QMJZVGYCGPPHLO-UHFFFAOYSA-N -1 0 359.429 -0.083 20 0 FBADRM COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1)C(C)C ZINC001327457723 849429992 /nfs/dbraw/zinc/42/99/92/849429992.db2.gz QUHATMJVDLYDNP-LBPRGKRZSA-N -1 0 363.436 -0.176 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)Cc2nnn(C(C)(C)C)n2)c(C)nn1C ZINC001327457769 849429942 /nfs/dbraw/zinc/42/99/42/849429942.db2.gz PLCNAQCCUMYGJE-UHFFFAOYSA-N -1 0 371.423 -0.474 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2cccc(C(N)=O)c2)CC1 ZINC001327457783 849429893 /nfs/dbraw/zinc/42/98/93/849429893.db2.gz RQGHWVUACCYQCT-UHFFFAOYSA-N -1 0 353.400 -0.144 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)Cn3cc(C4CC4)nn3)ccc21 ZINC001327458117 849430720 /nfs/dbraw/zinc/43/07/20/849430720.db2.gz UOQAVPMDPVMCRT-UHFFFAOYSA-N -1 0 361.387 -0.058 20 0 FBADRM CO[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)[C@@H](C(=O)[O-])C1 ZINC001327458120 849430648 /nfs/dbraw/zinc/43/06/48/849430648.db2.gz URHJRGREVJRJKT-BXKDBHETSA-N -1 0 359.404 -0.031 20 0 FBADRM CO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)[C@H](C(=O)[O-])C1 ZINC001327458121 849430578 /nfs/dbraw/zinc/43/05/78/849430578.db2.gz URHJRGREVJRJKT-CABZTGNLSA-N -1 0 359.404 -0.031 20 0 FBADRM CO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)[C@@H](C(=O)[O-])C1 ZINC001327458122 849430564 /nfs/dbraw/zinc/43/05/64/849430564.db2.gz URHJRGREVJRJKT-JOYOIKCWSA-N -1 0 359.404 -0.031 20 0 FBADRM CO[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)[C@H](C(=O)[O-])C1 ZINC001327458123 849430627 /nfs/dbraw/zinc/43/06/27/849430627.db2.gz URHJRGREVJRJKT-SKDRFNHKSA-N -1 0 359.404 -0.031 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1c(Br)nnn1C ZINC001327458458 849430707 /nfs/dbraw/zinc/43/07/07/849430707.db2.gz XEWIBVZXGNOXEJ-UHFFFAOYSA-N -1 0 371.213 -0.701 20 0 FBADRM CCn1nncc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC001327458498 849430628 /nfs/dbraw/zinc/43/06/28/849430628.db2.gz YHOQAXZUWKRBQH-UHFFFAOYSA-N -1 0 370.412 -0.155 20 0 FBADRM COc1ncc(/C=C\C(=O)[N-]S(=O)(=O)C2CCN(C(C)=O)CC2)cn1 ZINC001327458499 849430647 /nfs/dbraw/zinc/43/06/47/849430647.db2.gz YHZNPVILUGFEJQ-ARJAWSKDSA-N -1 0 368.415 -0.045 20 0 FBADRM COc1ncc(/C=C/C(=O)[N-]S(=O)(=O)C2CCN(C(C)=O)CC2)cn1 ZINC001327458500 849430651 /nfs/dbraw/zinc/43/06/51/849430651.db2.gz YHZNPVILUGFEJQ-ONEGZZNKSA-N -1 0 368.415 -0.045 20 0 FBADRM O=C(CC1(n2cnnn2)CCOCC1)[N-]S(=O)(=O)C1CCOCC1 ZINC001327459222 849430661 /nfs/dbraw/zinc/43/06/61/849430661.db2.gz YMJFRZUFPLERBZ-UHFFFAOYSA-N -1 0 359.408 -0.806 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN([C@@H]3CC(=O)NC3=O)CC2)cc1 ZINC001327467527 849431573 /nfs/dbraw/zinc/43/15/73/849431573.db2.gz DQTJCPXJJGYCQN-GFCCVEGCSA-N -1 0 367.383 -0.894 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN([C@H]3CC(=O)NC3=O)CC2)cc1 ZINC001327467529 849431544 /nfs/dbraw/zinc/43/15/44/849431544.db2.gz DQTJCPXJJGYCQN-LBPRGKRZSA-N -1 0 367.383 -0.894 20 0 FBADRM CS(=O)(=O)CC1(CCNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC001327471803 849432072 /nfs/dbraw/zinc/43/20/72/849432072.db2.gz LRWGPAWOLVGFNK-UHFFFAOYSA-N -1 0 360.432 -0.311 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1)[C@H]1CN(C)CCO1 ZINC001327472423 849432173 /nfs/dbraw/zinc/43/21/73/849432173.db2.gz RNUQSUXAJNPBOC-GXTWGEPZSA-N -1 0 355.435 -0.075 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1)[C@@H]1CN(C)CCO1 ZINC001327472425 849431961 /nfs/dbraw/zinc/43/19/61/849431961.db2.gz RNUQSUXAJNPBOC-JSGCOSHPSA-N -1 0 355.435 -0.075 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1)[C@@H]1CN(C)CCO1 ZINC001327472428 849432291 /nfs/dbraw/zinc/43/22/91/849432291.db2.gz RNUQSUXAJNPBOC-OCCSQVGLSA-N -1 0 355.435 -0.075 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1)[C@H]1CN(C)CCO1 ZINC001327472432 849432266 /nfs/dbraw/zinc/43/22/66/849432266.db2.gz RNUQSUXAJNPBOC-TZMCWYRMSA-N -1 0 355.435 -0.075 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC001327477324 849432832 /nfs/dbraw/zinc/43/28/32/849432832.db2.gz JKRQTLRZWGDWQZ-UHFFFAOYSA-N -1 0 351.359 -0.700 20 0 FBADRM CC(C)S(=O)(=O)CC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001327477333 849433128 /nfs/dbraw/zinc/43/31/28/849433128.db2.gz JVUUDWDEITYNRJ-LLVKDONJSA-N -1 0 360.432 -0.266 20 0 FBADRM CC(C)S(=O)(=O)CC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001327477334 849432797 /nfs/dbraw/zinc/43/27/97/849432797.db2.gz JVUUDWDEITYNRJ-NSHDSACASA-N -1 0 360.432 -0.266 20 0 FBADRM CN1CC[C@@H](C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)CC1=O ZINC001327477642 849432893 /nfs/dbraw/zinc/43/28/93/849432893.db2.gz NWISDKGADOOPIP-NEPJUHHUSA-N -1 0 351.403 -0.221 20 0 FBADRM CN1CC[C@H](C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)CC1=O ZINC001327477643 849433012 /nfs/dbraw/zinc/43/30/12/849433012.db2.gz NWISDKGADOOPIP-NWDGAFQWSA-N -1 0 351.403 -0.221 20 0 FBADRM CN1CC[C@H](C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)CC1=O ZINC001327477644 849432957 /nfs/dbraw/zinc/43/29/57/849432957.db2.gz NWISDKGADOOPIP-RYUDHWBXSA-N -1 0 351.403 -0.221 20 0 FBADRM CN1CC[C@@H](C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)CC1=O ZINC001327477645 849433231 /nfs/dbraw/zinc/43/32/31/849433231.db2.gz NWISDKGADOOPIP-VXGBXAGGSA-N -1 0 351.403 -0.221 20 0 FBADRM CNC(=O)C1(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)CCC1 ZINC001327477648 849432872 /nfs/dbraw/zinc/43/28/72/849432872.db2.gz NYXDLLMIJYSQKS-LLVKDONJSA-N -1 0 351.403 -0.173 20 0 FBADRM CNC(=O)C1(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)CCC1 ZINC001327477649 849433169 /nfs/dbraw/zinc/43/31/69/849433169.db2.gz NYXDLLMIJYSQKS-NSHDSACASA-N -1 0 351.403 -0.173 20 0 FBADRM CC1(C)COCCN1CCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001327477853 849432824 /nfs/dbraw/zinc/43/28/24/849432824.db2.gz ACOLJQNBNUDKLL-UHFFFAOYSA-N -1 0 350.375 -0.055 20 0 FBADRM C[C@@](CNC(=O)CN1CCS(=O)(=O)CC1)(C(=O)[O-])c1ccccc1 ZINC001327477968 849433175 /nfs/dbraw/zinc/43/31/75/849433175.db2.gz OLGJIPVVUXAPEY-INIZCTEOSA-N -1 0 354.428 -0.125 20 0 FBADRM C[C@](CNC(=O)CN1CCS(=O)(=O)CC1)(C(=O)[O-])c1ccccc1 ZINC001327477969 849433087 /nfs/dbraw/zinc/43/30/87/849433087.db2.gz OLGJIPVVUXAPEY-MRXNPFEDSA-N -1 0 354.428 -0.125 20 0 FBADRM CN1C(=S)N=NC1CCCNC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001327478449 849434031 /nfs/dbraw/zinc/43/40/31/849434031.db2.gz GKDRBVYAKWGGGT-UHFFFAOYSA-N -1 0 364.387 -0.116 20 0 FBADRM COC[C@H](CCNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)OC ZINC001327479522 849434043 /nfs/dbraw/zinc/43/40/43/849434043.db2.gz KPUYDSAVMRIQCY-JTQLQIEISA-N -1 0 356.379 -0.191 20 0 FBADRM COC[C@@H](CCNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)OC ZINC001327479524 849433789 /nfs/dbraw/zinc/43/37/89/849433789.db2.gz KPUYDSAVMRIQCY-SNVBAGLBSA-N -1 0 356.379 -0.191 20 0 FBADRM CCNC(=O)c1ccc(CNC(=O)C(=O)NCC(=O)[N-]OCC)cc1 ZINC001327481267 849433833 /nfs/dbraw/zinc/43/38/33/849433833.db2.gz NZCHLQNPLGTTPS-UHFFFAOYSA-N -1 0 350.375 -0.764 20 0 FBADRM C[S@](=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC001327481698 849433913 /nfs/dbraw/zinc/43/39/13/849433913.db2.gz YIIPTUXNCOQLNO-NEKONJKSSA-N -1 0 366.395 -0.078 20 0 FBADRM C[S@@](=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC001327481700 849433893 /nfs/dbraw/zinc/43/38/93/849433893.db2.gz YIIPTUXNCOQLNO-SYYNUIMISA-N -1 0 366.395 -0.078 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCCn1cc(CO)nn1 ZINC001327482853 849433938 /nfs/dbraw/zinc/43/39/38/849433938.db2.gz IQUASSPIHQQXBA-UHFFFAOYSA-N -1 0 361.405 -0.618 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CC1(n2cnnn2)CCOCC1 ZINC001327485270 849435040 /nfs/dbraw/zinc/43/50/40/849435040.db2.gz DJDQCTSBSFJLCB-UHFFFAOYSA-N -1 0 369.407 -0.884 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)COc2c(C)nn(C)c2C)CC1 ZINC001327485338 849435010 /nfs/dbraw/zinc/43/50/10/849435010.db2.gz GEGUMEZGFNCPCK-UHFFFAOYSA-N -1 0 372.447 -0.127 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2ccn3nnnc3c2)CC1 ZINC001327486957 849434711 /nfs/dbraw/zinc/43/47/11/849434711.db2.gz RBXWDJOZOMKNGU-UHFFFAOYSA-N -1 0 352.376 -0.805 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)CC2(n3cnnn3)CCOCC2)cnn1C ZINC001327487296 849434659 /nfs/dbraw/zinc/43/46/59/849434659.db2.gz SRVUZXNURQRNTE-UHFFFAOYSA-N -1 0 369.407 -0.884 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2cnc(N(C)C)cn2)CC1 ZINC001327487301 849434882 /nfs/dbraw/zinc/43/48/82/849434882.db2.gz UCVSAHUOFBTORG-UHFFFAOYSA-N -1 0 355.420 -0.387 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn2c1OCCC2)c1cnc2n1CCOC2 ZINC001327487765 849435446 /nfs/dbraw/zinc/43/54/46/849435446.db2.gz WHPPUBBGGVNJDM-UHFFFAOYSA-N -1 0 353.360 -0.489 20 0 FBADRM CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1 ZINC001327488132 849435774 /nfs/dbraw/zinc/43/57/74/849435774.db2.gz YZJMEUPPERSNAL-AWEZNQCLSA-N -1 0 361.464 -0.006 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(C(=O)OCC)cc1 ZINC001327494201 849436348 /nfs/dbraw/zinc/43/63/48/849436348.db2.gz DLDCEAMZAQKWPO-UHFFFAOYSA-N -1 0 351.359 -0.337 20 0 FBADRM COCCCn1nc(C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)ccc1=O ZINC001327494913 849436224 /nfs/dbraw/zinc/43/62/24/849436224.db2.gz DICPYCYWDYQNQG-BXUZGUMPSA-N -1 0 353.375 -0.111 20 0 FBADRM COCCCn1nc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)ccc1=O ZINC001327494914 849436486 /nfs/dbraw/zinc/43/64/86/849436486.db2.gz DICPYCYWDYQNQG-FZMZJTMJSA-N -1 0 353.375 -0.111 20 0 FBADRM COCCCn1nc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)ccc1=O ZINC001327494915 849436416 /nfs/dbraw/zinc/43/64/16/849436416.db2.gz DICPYCYWDYQNQG-RISCZKNCSA-N -1 0 353.375 -0.111 20 0 FBADRM COCCCn1nc(C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)ccc1=O ZINC001327494916 849436276 /nfs/dbraw/zinc/43/62/76/849436276.db2.gz DICPYCYWDYQNQG-SMDDNHRTSA-N -1 0 353.375 -0.111 20 0 FBADRM COc1cc(CS(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O)sn1 ZINC001327495578 849436321 /nfs/dbraw/zinc/43/63/21/849436321.db2.gz IVUOEWSCJLBPQB-UHFFFAOYSA-N -1 0 356.447 -0.078 20 0 FBADRM Cn1cnc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)n1 ZINC001327495705 849436413 /nfs/dbraw/zinc/43/64/13/849436413.db2.gz LLDNINUYZJDQDN-UHFFFAOYSA-N -1 0 356.385 -0.638 20 0 FBADRM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)CO[C@@H]1CCOC1 ZINC001327499705 849437337 /nfs/dbraw/zinc/43/73/37/849437337.db2.gz QQRSPOKEDXPPFT-KKZNHRDASA-N -1 0 368.308 -0.085 20 0 FBADRM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)CO[C@H]1CCOC1 ZINC001327499707 849437333 /nfs/dbraw/zinc/43/73/33/849437333.db2.gz QQRSPOKEDXPPFT-NGZCFLSTSA-N -1 0 368.308 -0.085 20 0 FBADRM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CO[C@H]1CCOC1 ZINC001327499708 849437311 /nfs/dbraw/zinc/43/73/11/849437311.db2.gz QQRSPOKEDXPPFT-QXEWZRGKSA-N -1 0 368.308 -0.085 20 0 FBADRM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CO[C@@H]1CCOC1 ZINC001327499709 849437232 /nfs/dbraw/zinc/43/72/32/849437232.db2.gz QQRSPOKEDXPPFT-YWVKMMECSA-N -1 0 368.308 -0.085 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCOCC2)CCC1 ZINC001327500488 849437262 /nfs/dbraw/zinc/43/72/62/849437262.db2.gz NDJRFBIWFQMWOZ-CYBMUJFWSA-N -1 0 353.419 -0.319 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)CCC1 ZINC001327500490 849437280 /nfs/dbraw/zinc/43/72/80/849437280.db2.gz NDJRFBIWFQMWOZ-ZDUSSCGKSA-N -1 0 353.419 -0.319 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)CCC1 ZINC001327501601 849437033 /nfs/dbraw/zinc/43/70/33/849437033.db2.gz YNXJYMVSQNUAIH-CYBMUJFWSA-N -1 0 353.419 -0.462 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)CCC1 ZINC001327501602 849437305 /nfs/dbraw/zinc/43/73/05/849437305.db2.gz YNXJYMVSQNUAIH-ZDUSSCGKSA-N -1 0 353.419 -0.462 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCOc2cc(OC)ccc21 ZINC001327509508 849438804 /nfs/dbraw/zinc/43/88/04/849438804.db2.gz VRARFLTZADHYTP-GFCCVEGCSA-N -1 0 351.359 -0.181 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCOc2cc(OC)ccc21 ZINC001327509509 849439042 /nfs/dbraw/zinc/43/90/42/849439042.db2.gz VRARFLTZADHYTP-LBPRGKRZSA-N -1 0 351.359 -0.181 20 0 FBADRM COc1ccc(S(=O)(=O)NCc2nc(=O)o[n-]2)cc1C(=O)N(C)C ZINC001327529121 849441208 /nfs/dbraw/zinc/44/12/08/849441208.db2.gz DSPVBRGGCBCJGI-UHFFFAOYSA-N -1 0 356.360 -0.448 20 0 FBADRM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NCc2nc(=O)o[n-]2)c1 ZINC001327529724 849441396 /nfs/dbraw/zinc/44/13/96/849441396.db2.gz KKUBCXJTMNAWFL-UHFFFAOYSA-N -1 0 361.401 -0.138 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C1CCC3(CC1)NC(=O)NC3=O)C2 ZINC001327534033 849442086 /nfs/dbraw/zinc/44/20/86/849442086.db2.gz WYMMSQUNMRKUCV-QPTDUTIISA-N -1 0 351.359 -0.686 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cccnc1OCC(F)F ZINC001327539851 849442222 /nfs/dbraw/zinc/44/22/22/849442222.db2.gz BPMODWSTCRNMPX-UHFFFAOYSA-N -1 0 360.317 -0.474 20 0 FBADRM CCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)cc2)CC1=O ZINC001327549438 849444014 /nfs/dbraw/zinc/44/40/14/849444014.db2.gz ADZSJYNSEJBGMB-LLVKDONJSA-N -1 0 353.400 -0.151 20 0 FBADRM CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)cc2)CC1=O ZINC001327549439 849443694 /nfs/dbraw/zinc/44/36/94/849443694.db2.gz ADZSJYNSEJBGMB-NSHDSACASA-N -1 0 353.400 -0.151 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1c(Br)nnn1C ZINC001327556091 849444461 /nfs/dbraw/zinc/44/44/61/849444461.db2.gz KXQMNPYTECRDQY-UHFFFAOYSA-N -1 0 371.213 -0.700 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1CSc2ccccc2O1 ZINC001327556624 849444774 /nfs/dbraw/zinc/44/47/74/849444774.db2.gz CGBSVIBRCGLMEL-JTQLQIEISA-N -1 0 353.400 -0.160 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1CSc2ccccc2O1 ZINC001327556626 849444483 /nfs/dbraw/zinc/44/44/83/849444483.db2.gz CGBSVIBRCGLMEL-SNVBAGLBSA-N -1 0 353.400 -0.160 20 0 FBADRM CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)[N-]OC/C=C\Cl)c1 ZINC001327557935 849445647 /nfs/dbraw/zinc/44/56/47/849445647.db2.gz VFKFBYLAUPWUOE-UTCJRWHESA-N -1 0 368.777 -0.017 20 0 FBADRM CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)[N-]OC/C=C/Cl)c1 ZINC001327557936 849445741 /nfs/dbraw/zinc/44/57/41/849445741.db2.gz VFKFBYLAUPWUOE-ZZXKWVIFSA-N -1 0 368.777 -0.017 20 0 FBADRM Cn1nnc(Br)c1C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC001327557981 849445380 /nfs/dbraw/zinc/44/53/80/849445380.db2.gz WOCAZLJWKPBRNL-UHFFFAOYSA-N -1 0 350.154 -0.175 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)c1ncc(C(=O)OC)s1 ZINC001327558556 849445582 /nfs/dbraw/zinc/44/55/82/849445582.db2.gz VBUTXCSXPGHVBQ-SSDOTTSWSA-N -1 0 358.376 -0.709 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)c1ncc(C(=O)OC)s1 ZINC001327558557 849445464 /nfs/dbraw/zinc/44/54/64/849445464.db2.gz VBUTXCSXPGHVBQ-ZETCQYMHSA-N -1 0 358.376 -0.709 20 0 FBADRM COC(=O)NC1CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC001327558987 849445297 /nfs/dbraw/zinc/44/52/97/849445297.db2.gz CIINVYKPAOBUOO-UHFFFAOYSA-N -1 0 363.342 -0.190 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)CCCCC(N)=O)cc2n(C)c1=O ZINC001327559433 849445332 /nfs/dbraw/zinc/44/53/32/849445332.db2.gz FXWMTUYHLMSEEX-UHFFFAOYSA-N -1 0 368.415 -0.272 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001327571072 849447324 /nfs/dbraw/zinc/44/73/24/849447324.db2.gz BZAMMQMRJGLCAW-UHFFFAOYSA-N -1 0 371.463 -0.804 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(CCO)Cc1ccccc1OC ZINC001327571249 849447314 /nfs/dbraw/zinc/44/73/14/849447314.db2.gz HVHLBPSMWQRKPH-UHFFFAOYSA-N -1 0 353.375 -0.800 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](Cc2nccn2C)C1 ZINC001327571311 849447285 /nfs/dbraw/zinc/44/72/85/849447285.db2.gz JHDWDSFQAVOVGU-GFCCVEGCSA-N -1 0 351.407 -0.615 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H](Cc2nccn2C)C1 ZINC001327571313 849447223 /nfs/dbraw/zinc/44/72/23/849447223.db2.gz JHDWDSFQAVOVGU-LBPRGKRZSA-N -1 0 351.407 -0.615 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@](OC)(C(F)(F)F)C1 ZINC001327571554 849447238 /nfs/dbraw/zinc/44/72/38/849447238.db2.gz NGZUIUIWPOFWHH-GFCCVEGCSA-N -1 0 355.313 -0.260 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@](OC)(C(F)(F)F)C1 ZINC001327571555 849447446 /nfs/dbraw/zinc/44/74/46/849447446.db2.gz NGZUIUIWPOFWHH-LBPRGKRZSA-N -1 0 355.313 -0.260 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1ccc(C(=O)OC)cc1 ZINC001327571901 849447294 /nfs/dbraw/zinc/44/72/94/849447294.db2.gz QSVSZJRIEZCXPS-UHFFFAOYSA-N -1 0 351.359 -0.385 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC001327572300 849447470 /nfs/dbraw/zinc/44/74/70/849447470.db2.gz WONGUYNBBJTWST-UHFFFAOYSA-N -1 0 353.354 -0.947 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(c2ccccc2F)CC1 ZINC001327572485 849448144 /nfs/dbraw/zinc/44/81/44/849448144.db2.gz YNUXABHHFXMUSH-UHFFFAOYSA-N -1 0 352.366 -0.342 20 0 FBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC001327574147 849448216 /nfs/dbraw/zinc/44/82/16/849448216.db2.gz IUNCBOZPEACWII-JTQLQIEISA-N -1 0 355.372 -0.845 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC001327574150 849448395 /nfs/dbraw/zinc/44/83/95/849448395.db2.gz IUNCBOZPEACWII-SNVBAGLBSA-N -1 0 355.372 -0.845 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@H](C)S(=O)(=O)C2CCOCC2)CC1 ZINC001327574191 849448035 /nfs/dbraw/zinc/44/80/35/849448035.db2.gz JKCOCGWARRFEJW-JTQLQIEISA-N -1 0 369.461 -0.406 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)CC1 ZINC001327574193 849448068 /nfs/dbraw/zinc/44/80/68/849448068.db2.gz JKCOCGWARRFEJW-SNVBAGLBSA-N -1 0 369.461 -0.406 20 0 FBADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N(CCN2CCOCC2)CC2CC2)C1 ZINC001327579424 849449307 /nfs/dbraw/zinc/44/93/07/849449307.db2.gz VHVGTYWLXASTBG-AWEZNQCLSA-N -1 0 353.419 -0.510 20 0 FBADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N(CCN2CCOCC2)CC2CC2)C1 ZINC001327579425 849449231 /nfs/dbraw/zinc/44/92/31/849449231.db2.gz VHVGTYWLXASTBG-CQSZACIVSA-N -1 0 353.419 -0.510 20 0 FBADRM O=C([O-])C1CCN(C(=O)C(=O)N2CCC(N3CCOC3=O)CC2)CC1 ZINC001327579639 849448999 /nfs/dbraw/zinc/44/89/99/849448999.db2.gz ZPUWPSZDVYIGRU-UHFFFAOYSA-N -1 0 353.375 -0.247 20 0 FBADRM CCN(C(=O)[C@@H](C)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC001327588202 849450051 /nfs/dbraw/zinc/45/00/51/849450051.db2.gz NGYVLZLATOEQMU-BRXULGCHSA-N -1 0 374.459 -0.557 20 0 FBADRM CCN(C(=O)[C@@H](C)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC001327588203 849449786 /nfs/dbraw/zinc/44/97/86/849449786.db2.gz NGYVLZLATOEQMU-NFFDBFGFSA-N -1 0 374.459 -0.557 20 0 FBADRM CCN(C(=O)[C@H](C)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC001327588205 849449815 /nfs/dbraw/zinc/44/98/15/849449815.db2.gz NGYVLZLATOEQMU-RSUWNVLCSA-N -1 0 374.459 -0.557 20 0 FBADRM CCN(C(=O)[C@H](C)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC001327588207 849449836 /nfs/dbraw/zinc/44/98/36/849449836.db2.gz NGYVLZLATOEQMU-VPWBDBDCSA-N -1 0 374.459 -0.557 20 0 FBADRM CC(C)(CCS(=O)(=O)NC1(C(=O)[O-])CCOCC1)S(C)(=O)=O ZINC001327599904 849452599 /nfs/dbraw/zinc/45/25/99/849452599.db2.gz WKVDRFBPCOQFQC-UHFFFAOYSA-N -1 0 357.450 -0.247 20 0 FBADRM CNS(=O)(=O)c1ccc(CS(=O)(=O)c2nc(COC)n[n-]2)cc1 ZINC001327602998 849452719 /nfs/dbraw/zinc/45/27/19/849452719.db2.gz FJVXFCLUZOAPAI-UHFFFAOYSA-N -1 0 360.417 -0.167 20 0 FBADRM CC(C)[C@]1(CO)CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC001327613254 849453131 /nfs/dbraw/zinc/45/31/31/849453131.db2.gz MNLBCVJNLFNZMP-CSMYWGQOSA-N -1 0 354.403 -0.587 20 0 FBADRM CC(C)[C@@]1(CO)CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC001327613255 849453475 /nfs/dbraw/zinc/45/34/75/849453475.db2.gz MNLBCVJNLFNZMP-OAUYIBNBSA-N -1 0 354.403 -0.587 20 0 FBADRM NC(=O)NC1CCN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CC1 ZINC001327615024 849454274 /nfs/dbraw/zinc/45/42/74/849454274.db2.gz ZKHNILLKJYFNFA-UHFFFAOYSA-N -1 0 354.407 -0.251 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)COCc1nnc(C)s1)OC ZINC001327617547 849454486 /nfs/dbraw/zinc/45/44/86/849454486.db2.gz TYJMSQIKWXGPJU-SECBINFHSA-N -1 0 353.422 -0.529 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)COCc1nnc(C)s1)OC ZINC001327617551 849454259 /nfs/dbraw/zinc/45/42/59/849454259.db2.gz TYJMSQIKWXGPJU-VIFPVBQESA-N -1 0 353.422 -0.529 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])CCC1 ZINC001327618015 849454338 /nfs/dbraw/zinc/45/43/38/849454338.db2.gz SAGLCWVYBXQRDZ-LLVKDONJSA-N -1 0 364.420 -0.966 20 0 FBADRM COC(=O)C1(CS(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])CCC1 ZINC001327618016 849454218 /nfs/dbraw/zinc/45/42/18/849454218.db2.gz SAGLCWVYBXQRDZ-NSHDSACASA-N -1 0 364.420 -0.966 20 0 FBADRM CCS(=O)(=O)N(C)CCCNC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001327620352 849454910 /nfs/dbraw/zinc/45/49/10/849454910.db2.gz IZKZKFYEVUDQME-UHFFFAOYSA-N -1 0 363.358 -0.226 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(Cn2ccnn2)c1 ZINC001327628923 849455756 /nfs/dbraw/zinc/45/57/56/849455756.db2.gz UOWDHPYYNJSKQM-CYBMUJFWSA-N -1 0 364.383 -0.350 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(Cn2ccnn2)c1 ZINC001327628925 849455918 /nfs/dbraw/zinc/45/59/18/849455918.db2.gz UOWDHPYYNJSKQM-ZDUSSCGKSA-N -1 0 364.383 -0.350 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c2ccco2)c(C)nn1C ZINC001327636527 849457251 /nfs/dbraw/zinc/45/72/51/849457251.db2.gz WMSSCPJZXHIXBR-VIFPVBQESA-N -1 0 370.387 -0.046 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cn(CC2(C)COC2)nn1)OC ZINC001327640179 849457504 /nfs/dbraw/zinc/45/75/04/849457504.db2.gz IGTVKHRATSGZPJ-JTQLQIEISA-N -1 0 362.408 -0.964 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cn(CC2(C)COC2)nn1)OC ZINC001327640180 849457474 /nfs/dbraw/zinc/45/74/74/849457474.db2.gz IGTVKHRATSGZPJ-SNVBAGLBSA-N -1 0 362.408 -0.964 20 0 FBADRM COCn1nc(C)c(S(=O)(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)c1C ZINC001327654949 849459647 /nfs/dbraw/zinc/45/96/47/849459647.db2.gz FSXDDWQSTHALQA-UHFFFAOYSA-N -1 0 367.391 -0.056 20 0 FBADRM CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)[N-]OCCC(F)(F)F ZINC001327656829 849459543 /nfs/dbraw/zinc/45/95/43/849459543.db2.gz ZGEIWORAANBLMD-UHFFFAOYSA-N -1 0 363.358 -0.179 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCOc2c(OC)cccc21 ZINC001327667446 849461163 /nfs/dbraw/zinc/46/11/63/849461163.db2.gz CGNRWXDFMITLDW-LLVKDONJSA-N -1 0 351.359 -0.181 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCOc2c(OC)cccc21 ZINC001327667447 849461034 /nfs/dbraw/zinc/46/10/34/849461034.db2.gz CGNRWXDFMITLDW-NSHDSACASA-N -1 0 351.359 -0.181 20 0 FBADRM Cc1cc(=O)cc(C)n1CCCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001327669466 849461189 /nfs/dbraw/zinc/46/11/89/849461189.db2.gz RKQMKQGIZRDANC-UHFFFAOYSA-N -1 0 357.432 -0.173 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1 ZINC001327679046 849462015 /nfs/dbraw/zinc/46/20/15/849462015.db2.gz AXLVHFLJJPEVES-CYBMUJFWSA-N -1 0 358.439 -0.567 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1 ZINC001327679047 849461955 /nfs/dbraw/zinc/46/19/55/849461955.db2.gz AXLVHFLJJPEVES-ZDUSSCGKSA-N -1 0 358.439 -0.567 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NC1CCN(C(=O)c2ccoc2)CC1)C(=O)[O-] ZINC001327680020 849461687 /nfs/dbraw/zinc/46/16/87/849461687.db2.gz MDIOKOFQBLFYNK-JTQLQIEISA-N -1 0 351.359 -0.163 20 0 FBADRM C[C@H](CNC(=O)C(=O)NC1CCN(C(=O)c2ccoc2)CC1)C(=O)[O-] ZINC001327680021 849461945 /nfs/dbraw/zinc/46/19/45/849461945.db2.gz MDIOKOFQBLFYNK-SNVBAGLBSA-N -1 0 351.359 -0.163 20 0 FBADRM COCCN(C(=O)CN(CC(=O)[O-])C1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001327680691 849461873 /nfs/dbraw/zinc/46/18/73/849461873.db2.gz RYIUSVDNXFLSKC-CYBMUJFWSA-N -1 0 362.448 -0.412 20 0 FBADRM COCCN(C(=O)CN(CC(=O)[O-])C1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001327680692 849462141 /nfs/dbraw/zinc/46/21/41/849462141.db2.gz RYIUSVDNXFLSKC-ZDUSSCGKSA-N -1 0 362.448 -0.412 20 0 FBADRM COCCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC001327682465 849461754 /nfs/dbraw/zinc/46/17/54/849461754.db2.gz NFNBFFQQOQPHOM-LLVKDONJSA-N -1 0 357.407 -0.785 20 0 FBADRM COCCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC001327682467 849461921 /nfs/dbraw/zinc/46/19/21/849461921.db2.gz NFNBFFQQOQPHOM-NSHDSACASA-N -1 0 357.407 -0.785 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCC([C@@H](O)c2nccn2C)CC1)C(=O)[O-] ZINC001327682794 849461677 /nfs/dbraw/zinc/46/16/77/849461677.db2.gz QBDHHROMSDETHD-CMPLNLGQSA-N -1 0 352.391 -0.471 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCC([C@H](O)c2nccn2C)CC1)C(=O)[O-] ZINC001327682795 849462130 /nfs/dbraw/zinc/46/21/30/849462130.db2.gz QBDHHROMSDETHD-JQWIXIFHSA-N -1 0 352.391 -0.471 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCC([C@H](O)c2nccn2C)CC1)C(=O)[O-] ZINC001327682796 849462689 /nfs/dbraw/zinc/46/26/89/849462689.db2.gz QBDHHROMSDETHD-PWSUYJOCSA-N -1 0 352.391 -0.471 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCC([C@@H](O)c2nccn2C)CC1)C(=O)[O-] ZINC001327682797 849462788 /nfs/dbraw/zinc/46/27/88/849462788.db2.gz QBDHHROMSDETHD-ZYHUDNBSSA-N -1 0 352.391 -0.471 20 0 FBADRM CCOC(=O)CC[C@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001327711658 849468473 /nfs/dbraw/zinc/46/84/73/849468473.db2.gz PRMYQUWAZPAKGA-UWVGGRQHSA-N -1 0 350.393 -0.389 20 0 FBADRM CCOC(=O)CC[C@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001327711659 849468636 /nfs/dbraw/zinc/46/86/36/849468636.db2.gz PRMYQUWAZPAKGA-ZJUUUORDSA-N -1 0 350.393 -0.389 20 0 FBADRM COC1(C(=O)[N-]S(=O)(=O)c2ccc(CNC(N)=O)cc2)CCOCC1 ZINC001327727369 849470223 /nfs/dbraw/zinc/47/02/23/849470223.db2.gz CGHRSLWANCKHLN-UHFFFAOYSA-N -1 0 371.415 -0.145 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)CC1OCCCO1 ZINC001327729309 849471098 /nfs/dbraw/zinc/47/10/98/849471098.db2.gz VGCFADPSPGAIHC-UHFFFAOYSA-N -1 0 350.374 -0.112 20 0 FBADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccccn2)nn1 ZINC001327729600 849471236 /nfs/dbraw/zinc/47/12/36/849471236.db2.gz XNBYHJVLLGCHQF-UHFFFAOYSA-N -1 0 352.376 -0.979 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC001327731701 849471766 /nfs/dbraw/zinc/47/17/66/849471766.db2.gz OPSCBARPIQSAGO-UHFFFAOYSA-N -1 0 359.404 -0.753 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC001327742056 849474734 /nfs/dbraw/zinc/47/47/34/849474734.db2.gz UATMOIVUGQXNBI-UHFFFAOYSA-N -1 0 364.387 -0.579 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC001327742741 849474961 /nfs/dbraw/zinc/47/49/61/849474961.db2.gz VZNUVEXNTQIVCL-UHFFFAOYSA-N -1 0 357.436 -0.073 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NC2(C)CC2)n[nH]1 ZINC001327764882 849479379 /nfs/dbraw/zinc/47/93/79/849479379.db2.gz HWDFGCFCEZKLLD-UHFFFAOYSA-N -1 0 351.454 -0.029 20 0 FBADRM CN(C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)[C@@H]1CCN(C)C1=O ZINC001327805366 849485541 /nfs/dbraw/zinc/48/55/41/849485541.db2.gz GHVSYQWQNKHVAD-SECBINFHSA-N -1 0 351.363 -0.670 20 0 FBADRM CN(C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)[C@H]1CCN(C)C1=O ZINC001327805368 849485606 /nfs/dbraw/zinc/48/56/06/849485606.db2.gz GHVSYQWQNKHVAD-VIFPVBQESA-N -1 0 351.363 -0.670 20 0 FBADRM CC1(C)CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CCN1CCO ZINC001327806384 849486332 /nfs/dbraw/zinc/48/63/32/849486332.db2.gz RUKBSZDGWJQVQR-UHFFFAOYSA-N -1 0 350.375 -0.367 20 0 FBADRM C[C@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])C(=O)NCC(F)(F)F ZINC001327807037 849486429 /nfs/dbraw/zinc/48/64/29/849486429.db2.gz YGVUPHIKTIMUFD-LURJTMIESA-N -1 0 362.264 -0.099 20 0 FBADRM C[C@@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])C(=O)NCC(F)(F)F ZINC001327807038 849486214 /nfs/dbraw/zinc/48/62/14/849486214.db2.gz YGVUPHIKTIMUFD-ZCFIWIBFSA-N -1 0 362.264 -0.099 20 0 FBADRM CN(C[C@H]1COCCO1)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001327807122 849486372 /nfs/dbraw/zinc/48/63/72/849486372.db2.gz ZMCGVRKUYCIVFX-JTQLQIEISA-N -1 0 354.363 -0.485 20 0 FBADRM CN(C[C@@H]1COCCO1)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001327807124 849486289 /nfs/dbraw/zinc/48/62/89/849486289.db2.gz ZMCGVRKUYCIVFX-SNVBAGLBSA-N -1 0 354.363 -0.485 20 0 FBADRM O=C(CC1OCCO1)[N-]S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC001327811065 849486219 /nfs/dbraw/zinc/48/62/19/849486219.db2.gz ANNVFTDOEGPOFL-UHFFFAOYSA-N -1 0 361.397 -0.317 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)C[C@H]3CCC(=O)NC3)ccc21 ZINC001327811260 849486420 /nfs/dbraw/zinc/48/64/20/849486420.db2.gz CJLQJGONCWIOTH-SECBINFHSA-N -1 0 351.388 -0.311 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)C[C@@H]3CCC(=O)NC3)ccc21 ZINC001327811264 849486478 /nfs/dbraw/zinc/48/64/78/849486478.db2.gz CJLQJGONCWIOTH-VIFPVBQESA-N -1 0 351.388 -0.311 20 0 FBADRM COc1cc(CS(=O)(=O)[N-]C(=O)CCn2cnccc2=O)sn1 ZINC001327811390 849486499 /nfs/dbraw/zinc/48/64/99/849486499.db2.gz DQAKMNTUYILRRS-UHFFFAOYSA-N -1 0 358.401 -0.255 20 0 FBADRM CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1)C(C)(C)C ZINC001327811801 849486224 /nfs/dbraw/zinc/48/62/24/849486224.db2.gz GJVKZIWASUHSNV-CYBMUJFWSA-N -1 0 361.464 -0.006 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCc2cn(C)nn2)cc1 ZINC001327812478 849487093 /nfs/dbraw/zinc/48/70/93/849487093.db2.gz KBSFDBBXQUMLAK-UHFFFAOYSA-N -1 0 351.388 -0.388 20 0 FBADRM COc1cc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCCN(C(N)=O)C2)sn1 ZINC001327813469 849487226 /nfs/dbraw/zinc/48/72/26/849487226.db2.gz RQPMLTIHPKAWNB-MRVPVSSYSA-N -1 0 362.433 -0.112 20 0 FBADRM COc1cc(CS(=O)(=O)[N-]C(=O)[C@H]2CCCN(C(N)=O)C2)sn1 ZINC001327813470 849487128 /nfs/dbraw/zinc/48/71/28/849487128.db2.gz RQPMLTIHPKAWNB-QMMMGPOBSA-N -1 0 362.433 -0.112 20 0 FBADRM Cn1cc(CCC(=O)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)nn1 ZINC001327813717 849486983 /nfs/dbraw/zinc/48/69/83/849486983.db2.gz SPJDLWQSAMRMQI-UHFFFAOYSA-N -1 0 372.428 -0.344 20 0 FBADRM CC(=O)N1CCc2sc(S(=O)(=O)[N-]C(=O)c3cn(C)nn3)cc2C1 ZINC001327813743 849487033 /nfs/dbraw/zinc/48/70/33/849487033.db2.gz UFHMPLMLLYEUGK-UHFFFAOYSA-N -1 0 369.428 -0.100 20 0 FBADRM CC(C)n1cc(S(=O)(=O)[N-]C(=O)C2(n3cnnn3)CCOCC2)cn1 ZINC001327813835 849487320 /nfs/dbraw/zinc/48/73/20/849487320.db2.gz WEQMMHAOXXRCJG-UHFFFAOYSA-N -1 0 369.407 -0.539 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CNC(=O)CC(C)(C)C)CC1 ZINC001327814153 849487071 /nfs/dbraw/zinc/48/70/71/849487071.db2.gz XKABZTOFLUIHNU-UHFFFAOYSA-N -1 0 361.464 -0.004 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1)[C@H]1CCOC1 ZINC001327814184 849487297 /nfs/dbraw/zinc/48/72/97/849487297.db2.gz XURITAVCFUTICB-GWCFXTLKSA-N -1 0 356.400 -0.050 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1)[C@H]1CCOC1 ZINC001327814189 849487057 /nfs/dbraw/zinc/48/70/57/849487057.db2.gz XURITAVCFUTICB-GXFFZTMASA-N -1 0 356.400 -0.050 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1)[C@@H]1CCOC1 ZINC001327814191 849487116 /nfs/dbraw/zinc/48/71/16/849487116.db2.gz XURITAVCFUTICB-MFKMUULPSA-N -1 0 356.400 -0.050 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1)[C@@H]1CCOC1 ZINC001327814194 849487139 /nfs/dbraw/zinc/48/71/39/849487139.db2.gz XURITAVCFUTICB-ZWNOBZJWSA-N -1 0 356.400 -0.050 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)c2cnc3n2CCOC3)c(C)nn1C ZINC001327814396 849487157 /nfs/dbraw/zinc/48/71/57/849487157.db2.gz ZRTDMYKGQPJJGH-UHFFFAOYSA-N -1 0 355.376 -0.417 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@H](N3CCNC3=O)C2)c1 ZINC001327815436 849487304 /nfs/dbraw/zinc/48/73/04/849487304.db2.gz YOVMZVDXJMEIFP-JTQLQIEISA-N -1 0 368.415 -0.331 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC001327815438 849487205 /nfs/dbraw/zinc/48/72/05/849487205.db2.gz YOVMZVDXJMEIFP-SNVBAGLBSA-N -1 0 368.415 -0.331 20 0 FBADRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)c1nnn(C(C)(C)C)n1 ZINC001327817965 849488157 /nfs/dbraw/zinc/48/81/57/849488157.db2.gz FPEGAOVUNULHHM-UHFFFAOYSA-N -1 0 352.395 -0.177 20 0 FBADRM O=C([O-])C1CCN(C(=O)C(=O)NCCS(=O)(=O)CC(F)(F)F)CC1 ZINC001327829212 849489530 /nfs/dbraw/zinc/48/95/30/849489530.db2.gz KMTVYPJTBNYZBE-UHFFFAOYSA-N -1 0 374.337 -0.597 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)CCC1 ZINC001327829587 849489679 /nfs/dbraw/zinc/48/96/79/849489679.db2.gz MSBVKKITYNSTTI-LLVKDONJSA-N -1 0 351.403 -0.125 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)CCC1 ZINC001327829589 849489848 /nfs/dbraw/zinc/48/98/48/849489848.db2.gz MSBVKKITYNSTTI-NSHDSACASA-N -1 0 351.403 -0.125 20 0 FBADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])C1CCOCC1)S(=O)(=O)C1CCOCC1 ZINC001327840926 849490524 /nfs/dbraw/zinc/49/05/24/849490524.db2.gz MSSLMRZAWGRGAX-GWCFXTLKSA-N -1 0 363.432 -0.035 20 0 FBADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])C1CCOCC1)S(=O)(=O)C1CCOCC1 ZINC001327840931 849490366 /nfs/dbraw/zinc/49/03/66/849490366.db2.gz MSSLMRZAWGRGAX-GXFFZTMASA-N -1 0 363.432 -0.035 20 0 FBADRM C[C@H](C(=O)N[C@H](C(=O)[O-])C1CCOCC1)S(=O)(=O)C1CCOCC1 ZINC001327840935 849490416 /nfs/dbraw/zinc/49/04/16/849490416.db2.gz MSSLMRZAWGRGAX-MFKMUULPSA-N -1 0 363.432 -0.035 20 0 FBADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])C1CCOCC1)S(=O)(=O)C1CCOCC1 ZINC001327840940 849490582 /nfs/dbraw/zinc/49/05/82/849490582.db2.gz MSSLMRZAWGRGAX-ZWNOBZJWSA-N -1 0 363.432 -0.035 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N[C@H](C)CC(=O)[O-])c2ccccc2O1 ZINC001327842041 849490580 /nfs/dbraw/zinc/49/05/80/849490580.db2.gz WIAHPPHKLSRGRF-BXKDBHETSA-N -1 0 350.327 -0.067 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CC(=O)[O-])c2ccccc2O1 ZINC001327842042 849490303 /nfs/dbraw/zinc/49/03/03/849490303.db2.gz WIAHPPHKLSRGRF-CABZTGNLSA-N -1 0 350.327 -0.067 20 0 FBADRM COC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H](C)CC(=O)[O-])c2ccccc2O1 ZINC001327842043 849490250 /nfs/dbraw/zinc/49/02/50/849490250.db2.gz WIAHPPHKLSRGRF-JOYOIKCWSA-N -1 0 350.327 -0.067 20 0 FBADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](C)CC(=O)[O-])c2ccccc2O1 ZINC001327842044 849490519 /nfs/dbraw/zinc/49/05/19/849490519.db2.gz WIAHPPHKLSRGRF-SKDRFNHKSA-N -1 0 350.327 -0.067 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCC(F)(F)CN)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001327842725 849490494 /nfs/dbraw/zinc/49/04/94/849490494.db2.gz QXXFYXQIZUUBPH-SFYZADRCSA-N -1 0 374.310 -0.388 20 0 FBADRM CC(=O)N1CCc2ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cc2CC1 ZINC001327844445 849491319 /nfs/dbraw/zinc/49/13/19/849491319.db2.gz YQRNCDSONHXNCP-HNNXBMFYSA-N -1 0 370.427 -0.252 20 0 FBADRM O=C(Cn1ccc(NC(=O)C(=O)[N-]OCC2CC2)n1)N1CCOCC1 ZINC001327849096 849491289 /nfs/dbraw/zinc/49/12/89/849491289.db2.gz ITROJFHNPZKHAL-UHFFFAOYSA-N -1 0 351.363 -0.862 20 0 FBADRM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N-]S(=O)(=O)C1CCOCC1 ZINC001327851465 849492108 /nfs/dbraw/zinc/49/21/08/849492108.db2.gz RQBUDCGZLXAWEN-TXEJJXNPSA-N -1 0 356.400 -0.437 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)Cc2ccon2)nnn1-c1ccn(C)n1 ZINC001327853029 849492087 /nfs/dbraw/zinc/49/20/87/849492087.db2.gz OSTFWYNZLVVEFT-UHFFFAOYSA-N -1 0 351.348 -0.443 20 0 FBADRM O=C(CCn1cnccc1=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC001327853304 849491955 /nfs/dbraw/zinc/49/19/55/849491955.db2.gz RJLMBYSNEADFOR-UHFFFAOYSA-N -1 0 353.360 -0.883 20 0 FBADRM COCn1nc(C)c(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)c1C ZINC001327855744 849491992 /nfs/dbraw/zinc/49/19/92/849491992.db2.gz FFWQZOYBYABJKH-UHFFFAOYSA-N -1 0 356.408 -0.023 20 0 FBADRM COCCCn1nc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ccc1=O ZINC001327856927 849493176 /nfs/dbraw/zinc/49/31/76/849493176.db2.gz BQZUDJCSTWJEID-BDJLRTHQSA-N -1 0 351.359 -0.547 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001327865800 849492758 /nfs/dbraw/zinc/49/27/58/849492758.db2.gz SKFYIKVMVBLFMQ-SECBINFHSA-N -1 0 352.391 -0.576 20 0 FBADRM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001327865803 849492887 /nfs/dbraw/zinc/49/28/87/849492887.db2.gz SKFYIKVMVBLFMQ-VIFPVBQESA-N -1 0 352.391 -0.576 20 0 FBADRM O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001327866113 849494030 /nfs/dbraw/zinc/49/40/30/849494030.db2.gz JIMRYTIEUPXOJJ-JTQLQIEISA-N -1 0 370.387 -0.812 20 0 FBADRM O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001327866116 849493791 /nfs/dbraw/zinc/49/37/91/849493791.db2.gz JIMRYTIEUPXOJJ-SNVBAGLBSA-N -1 0 370.387 -0.812 20 0 FBADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)[N-]S(=O)(=O)C(C)(C)C ZINC001327866528 849494109 /nfs/dbraw/zinc/49/41/09/849494109.db2.gz MRVUKQXVEVCIRS-UHFFFAOYSA-N -1 0 351.425 -0.128 20 0 FBADRM CC(=O)N1CCc2sc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)cc2C1 ZINC001327880702 849494937 /nfs/dbraw/zinc/49/49/37/849494937.db2.gz IVNMNDUFNUATCK-JVXZTZIISA-N -1 0 362.429 -0.235 20 0 FBADRM CC(=O)N1CCc2sc(S(=O)(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])cc2C1 ZINC001327881158 849495674 /nfs/dbraw/zinc/49/56/74/849495674.db2.gz LISLILOFGLSUIN-GHMZBOCLSA-N -1 0 374.440 -0.139 20 0 FBADRM O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC001327887280 849495659 /nfs/dbraw/zinc/49/56/59/849495659.db2.gz BZFSPUYKAQXDGN-CMPLNLGQSA-N -1 0 357.388 -0.229 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)S(=O)(=O)C1CCOCC1 ZINC001327888704 849495648 /nfs/dbraw/zinc/49/56/48/849495648.db2.gz DPBCVDJOTOGMBX-GXSJLCMTSA-N -1 0 355.434 -0.796 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCOC1)S(=O)(=O)C1CCOCC1 ZINC001327888706 849496715 /nfs/dbraw/zinc/49/67/15/849496715.db2.gz DPBCVDJOTOGMBX-KOLCDFICSA-N -1 0 355.434 -0.796 20 0 FBADRM C[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)S(=O)(=O)C1CCOCC1 ZINC001327888708 849496825 /nfs/dbraw/zinc/49/68/25/849496825.db2.gz DPBCVDJOTOGMBX-MWLCHTKSSA-N -1 0 355.434 -0.796 20 0 FBADRM C[C@@H](C(=O)[N-]S(=O)(=O)[C@H]1CCOC1)S(=O)(=O)C1CCOCC1 ZINC001327888710 849496810 /nfs/dbraw/zinc/49/68/10/849496810.db2.gz DPBCVDJOTOGMBX-ONGXEEELSA-N -1 0 355.434 -0.796 20 0 FBADRM O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC001327888915 849496796 /nfs/dbraw/zinc/49/67/96/849496796.db2.gz MRGANXWTFWORCS-NWDGAFQWSA-N -1 0 361.397 -0.365 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)CN1CCSC1=O ZINC001327889342 849496872 /nfs/dbraw/zinc/49/68/72/849496872.db2.gz HYRQBOLKGKDBAF-UHFFFAOYSA-N -1 0 373.412 -0.232 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 ZINC001327890047 849496603 /nfs/dbraw/zinc/49/66/03/849496603.db2.gz LBHXXXRGPCDZML-LLVKDONJSA-N -1 0 358.420 -0.712 20 0 FBADRM COCCS(=O)(=O)[N-]C(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 ZINC001327890050 849496914 /nfs/dbraw/zinc/49/69/14/849496914.db2.gz LBHXXXRGPCDZML-NSHDSACASA-N -1 0 358.420 -0.712 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)C1CN(C(C)=O)C1 ZINC001327891295 849496583 /nfs/dbraw/zinc/49/65/83/849496583.db2.gz SPZZOZVMKJNCCA-UHFFFAOYSA-N -1 0 355.372 -0.923 20 0 FBADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1 ZINC001327906335 849498597 /nfs/dbraw/zinc/49/85/97/849498597.db2.gz AYGCAFXQWGSBBL-NSHDSACASA-N -1 0 351.402 -0.957 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CS(=O)(=O)C[C@@H]1OC ZINC001327907278 849499354 /nfs/dbraw/zinc/49/93/54/849499354.db2.gz HNKGJRJUQDLDRV-BQBZGAKWSA-N -1 0 370.430 -0.980 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CS(=O)(=O)C[C@H]1OC ZINC001327907279 849499106 /nfs/dbraw/zinc/49/91/06/849499106.db2.gz HNKGJRJUQDLDRV-NKWVEPMBSA-N -1 0 370.430 -0.980 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1OC ZINC001327907280 849499439 /nfs/dbraw/zinc/49/94/39/849499439.db2.gz HNKGJRJUQDLDRV-RNFRBKRXSA-N -1 0 370.430 -0.980 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC001327907281 849499206 /nfs/dbraw/zinc/49/92/06/849499206.db2.gz HNKGJRJUQDLDRV-RQJHMYQMSA-N -1 0 370.430 -0.980 20 0 FBADRM CC(=O)N1CCc2sc(S(=O)(=O)NCc3nc(=O)o[n-]3)cc2C1 ZINC001327908532 849499261 /nfs/dbraw/zinc/49/92/61/849499261.db2.gz PUCUMWFQTURYDH-UHFFFAOYSA-N -1 0 358.401 -0.193 20 0 FBADRM CCN(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[C@H](C)C(=O)[O-] ZINC001327913206 849500015 /nfs/dbraw/zinc/50/00/15/849500015.db2.gz LPRYXGOQXQFIOI-CHWSQXEVSA-N -1 0 361.464 -0.887 20 0 FBADRM CCN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)[C@H](C)C(=O)[O-] ZINC001327913207 849500064 /nfs/dbraw/zinc/50/00/64/849500064.db2.gz LPRYXGOQXQFIOI-OLZOCXBDSA-N -1 0 361.464 -0.887 20 0 FBADRM CCN(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[C@@H](C)C(=O)[O-] ZINC001327913208 849499957 /nfs/dbraw/zinc/49/99/57/849499957.db2.gz LPRYXGOQXQFIOI-QWHCGFSZSA-N -1 0 361.464 -0.887 20 0 FBADRM CCN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)[C@@H](C)C(=O)[O-] ZINC001327913209 849500479 /nfs/dbraw/zinc/50/04/79/849500479.db2.gz LPRYXGOQXQFIOI-STQMWFEESA-N -1 0 361.464 -0.887 20 0 FBADRM CCOc1ccc(N2CCN(CCS(=O)(=O)CC(=O)[O-])CC2)nn1 ZINC001327914492 849500975 /nfs/dbraw/zinc/50/09/75/849500975.db2.gz ZMMFCCMWARZWBB-UHFFFAOYSA-N -1 0 358.420 -0.503 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NC1CCN(S(=O)(=O)CC)CC1 ZINC001327927681 849504058 /nfs/dbraw/zinc/50/40/58/849504058.db2.gz OHATUSUGBSUYHY-UHFFFAOYSA-N -1 0 351.425 -0.999 20 0 FBADRM O=C(NCCOCCO)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC001327933126 849504562 /nfs/dbraw/zinc/50/45/62/849504562.db2.gz STBXRNFPSHFBAW-UHFFFAOYSA-N -1 0 358.416 -0.085 20 0 FBADRM CN1CCO[C@H](C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])C1 ZINC001327945987 849505380 /nfs/dbraw/zinc/50/53/80/849505380.db2.gz MTILROAOFCSOHU-GUBZILKMSA-N -1 0 367.324 -0.560 20 0 FBADRM CN1CCO[C@H](C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])C1 ZINC001327945988 849505482 /nfs/dbraw/zinc/50/54/82/849505482.db2.gz MTILROAOFCSOHU-KXUCPTDWSA-N -1 0 367.324 -0.560 20 0 FBADRM CN1CCO[C@H](C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])C1 ZINC001327945989 849505599 /nfs/dbraw/zinc/50/55/99/849505599.db2.gz MTILROAOFCSOHU-LPEHRKFASA-N -1 0 367.324 -0.560 20 0 FBADRM CN1CCO[C@H](C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])C1 ZINC001327945990 849505669 /nfs/dbraw/zinc/50/56/69/849505669.db2.gz MTILROAOFCSOHU-UTLUCORTSA-N -1 0 367.324 -0.560 20 0 FBADRM O=C([O-])C1(NC(=O)COCC(=O)NCc2cccnc2)CCOCC1 ZINC001327946078 849505847 /nfs/dbraw/zinc/50/58/47/849505847.db2.gz QDUMDAXREYSURC-UHFFFAOYSA-N -1 0 351.359 -0.536 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1c(Br)nnn1C)OC ZINC001327956242 849506327 /nfs/dbraw/zinc/50/63/27/849506327.db2.gz GNMDQAMHIXFOAE-LURJTMIESA-N -1 0 371.213 -0.701 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1c(Br)nnn1C)OC ZINC001327956245 842113822 /nfs/dbraw/zinc/11/38/22/842113822.db2.gz GNMDQAMHIXFOAE-ZCFIWIBFSA-N -1 0 371.213 -0.701 20 0 FBADRM COc1cc(F)ccc1S(=O)(=O)N[C@H](CN1CCOCC1)C(=O)[O-] ZINC001327956798 849506315 /nfs/dbraw/zinc/50/63/15/849506315.db2.gz KPDRYJIAPLTLGZ-LLVKDONJSA-N -1 0 362.379 -0.102 20 0 FBADRM COc1cc(F)ccc1S(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)[O-] ZINC001327956799 849506811 /nfs/dbraw/zinc/50/68/11/849506811.db2.gz KPDRYJIAPLTLGZ-NSHDSACASA-N -1 0 362.379 -0.102 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C1CCN(c2cnccn2)CC1)OC ZINC001327957213 849506666 /nfs/dbraw/zinc/50/66/66/849506666.db2.gz MRPCGHPVNDIOTG-CYBMUJFWSA-N -1 0 372.447 -0.200 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C1CCN(c2cnccn2)CC1)OC ZINC001327957214 849506392 /nfs/dbraw/zinc/50/63/92/849506392.db2.gz MRPCGHPVNDIOTG-ZDUSSCGKSA-N -1 0 372.447 -0.200 20 0 FBADRM CS(=O)(=O)CCn1cccc(NC(=O)NCC2(C(=O)[O-])CC2)c1=O ZINC001327958404 849507318 /nfs/dbraw/zinc/50/73/18/849507318.db2.gz UODIOPIEDMMLGL-UHFFFAOYSA-N -1 0 357.388 -0.121 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)Cn1ncc2ccccc2c1=O)OC ZINC001327958542 849507573 /nfs/dbraw/zinc/50/75/73/849507573.db2.gz WEWKWYQVZUGXNU-GFCCVEGCSA-N -1 0 369.399 -0.496 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)Cn1ncc2ccccc2c1=O)OC ZINC001327958544 849507203 /nfs/dbraw/zinc/50/72/03/849507203.db2.gz WEWKWYQVZUGXNU-LBPRGKRZSA-N -1 0 369.399 -0.496 20 0 FBADRM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001327989307 849511284 /nfs/dbraw/zinc/51/12/84/849511284.db2.gz MWHBQUWSGKBUIP-BDAKNGLRSA-N -1 0 364.445 -0.067 20 0 FBADRM C[C@H]([C@H](C)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-])S(C)(=O)=O ZINC001327989308 849511663 /nfs/dbraw/zinc/51/16/63/849511663.db2.gz MWHBQUWSGKBUIP-DTWKUNHWSA-N -1 0 364.445 -0.067 20 0 FBADRM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001327989309 849511527 /nfs/dbraw/zinc/51/15/27/849511527.db2.gz MWHBQUWSGKBUIP-IUCAKERBSA-N -1 0 364.445 -0.067 20 0 FBADRM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001327989310 849511258 /nfs/dbraw/zinc/51/12/58/849511258.db2.gz MWHBQUWSGKBUIP-RKDXNWHRSA-N -1 0 364.445 -0.067 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NCC2CN(S(C)(=O)=O)C2)c1 ZINC001327997507 849513282 /nfs/dbraw/zinc/51/32/82/849513282.db2.gz TWOKTMHPMWMEFU-JOCHJYFZSA-N -1 0 360.457 -0.190 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NCC2CN(S(C)(=O)=O)C2)c1 ZINC001327997508 849513393 /nfs/dbraw/zinc/51/33/93/849513393.db2.gz TWOKTMHPMWMEFU-QFIPXVFZSA-N -1 0 360.457 -0.190 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)c3cc(=O)n(C)[n-]3)CC2)cn1 ZINC001328082611 849523448 /nfs/dbraw/zinc/52/34/48/849523448.db2.gz GEKCQDZNHFRVKZ-UHFFFAOYSA-N -1 0 368.419 -0.558 20 0 FBADRM CCN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001328102067 849525740 /nfs/dbraw/zinc/52/57/40/849525740.db2.gz WPDAPCVTLXJZDT-SECBINFHSA-N -1 0 362.429 -0.311 20 0 FBADRM CCN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC001328102068 849525643 /nfs/dbraw/zinc/52/56/43/849525643.db2.gz WPDAPCVTLXJZDT-VIFPVBQESA-N -1 0 362.429 -0.311 20 0 FBADRM CS(=O)(=O)Cc1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC001328148404 849532947 /nfs/dbraw/zinc/53/29/47/849532947.db2.gz XEZYOVTXDZGRLJ-CYBMUJFWSA-N -1 0 363.413 -0.247 20 0 FBADRM CS(=O)(=O)Cc1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC001328148405 849532455 /nfs/dbraw/zinc/53/24/55/849532455.db2.gz XEZYOVTXDZGRLJ-ZDUSSCGKSA-N -1 0 363.413 -0.247 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC1(C(=O)OC(C)(C)C)CCC1 ZINC001328153719 849533261 /nfs/dbraw/zinc/53/32/61/849533261.db2.gz ULHZLWOTEOSERI-UHFFFAOYSA-N -1 0 357.407 -0.202 20 0 FBADRM C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(=O)NCC(F)(F)F ZINC001328170134 849536318 /nfs/dbraw/zinc/53/63/18/849536318.db2.gz CKAZEFXMCXTELL-LURJTMIESA-N -1 0 369.321 -0.164 20 0 FBADRM C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(=O)NCC(F)(F)F ZINC001328170136 849536204 /nfs/dbraw/zinc/53/62/04/849536204.db2.gz CKAZEFXMCXTELL-ZCFIWIBFSA-N -1 0 369.321 -0.164 20 0 FBADRM O=C([O-])C1(NC(=O)NCCCO[C@@H]2CCOC2)CCS(=O)(=O)CC1 ZINC001328171521 849536373 /nfs/dbraw/zinc/53/63/73/849536373.db2.gz VSLSDNLAOIGEMP-LLVKDONJSA-N -1 0 364.420 -0.487 20 0 FBADRM O=C([O-])C1(NC(=O)NCCCO[C@H]2CCOC2)CCS(=O)(=O)CC1 ZINC001328171524 849536167 /nfs/dbraw/zinc/53/61/67/849536167.db2.gz VSLSDNLAOIGEMP-NSHDSACASA-N -1 0 364.420 -0.487 20 0 FBADRM O=C([O-])c1coc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)c1 ZINC001328173712 849536073 /nfs/dbraw/zinc/53/60/73/849536073.db2.gz IMIZHYXUYHUVSC-UHFFFAOYSA-N -1 0 373.387 -0.264 20 0 FBADRM CN(CCNS(C)(=O)=O)S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001328175785 849536335 /nfs/dbraw/zinc/53/63/35/849536335.db2.gz ZVQUWSJAYIHXJE-UHFFFAOYSA-N -1 0 350.418 -0.304 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC001328190527 849539784 /nfs/dbraw/zinc/53/97/84/849539784.db2.gz QAGJGPMASRCHJY-QWHCGFSZSA-N -1 0 356.423 -0.671 20 0 FBADRM Cn1cc(/C=C\C(=O)N[C@@H](C(=O)[O-])C2CCOCC2)c(=O)n(C)c1=O ZINC001328210236 849543675 /nfs/dbraw/zinc/54/36/75/849543675.db2.gz UAUUNMYBENAIKS-DHCBQETCSA-N -1 0 351.359 -0.907 20 0 FBADRM Cn1cc(/C=C/C(=O)N[C@@H](C(=O)[O-])C2CCOCC2)c(=O)n(C)c1=O ZINC001328210237 849543712 /nfs/dbraw/zinc/54/37/12/849543712.db2.gz UAUUNMYBENAIKS-ITDFMYJTSA-N -1 0 351.359 -0.907 20 0 FBADRM Cn1cc(/C=C/C(=O)N[C@H](C(=O)[O-])C2CCOCC2)c(=O)n(C)c1=O ZINC001328210239 849543445 /nfs/dbraw/zinc/54/34/45/849543445.db2.gz UAUUNMYBENAIKS-OOPCZODUSA-N -1 0 351.359 -0.907 20 0 FBADRM Cn1cc(/C=C\C(=O)N[C@H](C(=O)[O-])C2CCOCC2)c(=O)n(C)c1=O ZINC001328210241 849543716 /nfs/dbraw/zinc/54/37/16/849543716.db2.gz UAUUNMYBENAIKS-SCOBNMCVSA-N -1 0 351.359 -0.907 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)[O-])C2CCOCC2)s1 ZINC001328210303 849543692 /nfs/dbraw/zinc/54/36/92/849543692.db2.gz VWDULVORDHGDIH-GFCCVEGCSA-N -1 0 362.429 -0.066 20 0 FBADRM NS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)[O-])C2CCOCC2)s1 ZINC001328210305 849543760 /nfs/dbraw/zinc/54/37/60/849543760.db2.gz VWDULVORDHGDIH-LBPRGKRZSA-N -1 0 362.429 -0.066 20 0 FBADRM O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC001328210702 849543654 /nfs/dbraw/zinc/54/36/54/849543654.db2.gz XVFUOSTXAJBOMS-CMPLNLGQSA-N -1 0 351.446 -0.097 20 0 FBADRM O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@H](C(=O)[O-])C1CCOCC1 ZINC001328210704 849543670 /nfs/dbraw/zinc/54/36/70/849543670.db2.gz XVFUOSTXAJBOMS-JQWIXIFHSA-N -1 0 351.446 -0.097 20 0 FBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@H](C(=O)[O-])C1CCOCC1 ZINC001328210706 849543454 /nfs/dbraw/zinc/54/34/54/849543454.db2.gz XVFUOSTXAJBOMS-PWSUYJOCSA-N -1 0 351.446 -0.097 20 0 FBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC001328210707 849543737 /nfs/dbraw/zinc/54/37/37/849543737.db2.gz XVFUOSTXAJBOMS-ZYHUDNBSSA-N -1 0 351.446 -0.097 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC1(S(C)(=O)=O)CCCCC1 ZINC001328214634 849544491 /nfs/dbraw/zinc/54/44/91/849544491.db2.gz WVKYTDFLUUFTGF-UHFFFAOYSA-N -1 0 363.436 -0.966 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NCCN1C[C@H]2CCCCN2C1=O ZINC001328215590 849544192 /nfs/dbraw/zinc/54/41/92/849544192.db2.gz SRFALOFXAUFBSW-CHWSQXEVSA-N -1 0 354.407 -0.523 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NCCN1C[C@@H]2CCCCN2C1=O ZINC001328215591 849544661 /nfs/dbraw/zinc/54/46/61/849544661.db2.gz SRFALOFXAUFBSW-OLZOCXBDSA-N -1 0 354.407 -0.523 20 0 FBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NCCN1C[C@H]2CCCCN2C1=O ZINC001328215592 849544367 /nfs/dbraw/zinc/54/43/67/849544367.db2.gz SRFALOFXAUFBSW-QWHCGFSZSA-N -1 0 354.407 -0.523 20 0 FBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NCCN1C[C@@H]2CCCCN2C1=O ZINC001328215593 849544605 /nfs/dbraw/zinc/54/46/05/849544605.db2.gz SRFALOFXAUFBSW-STQMWFEESA-N -1 0 354.407 -0.523 20 0 FBADRM COCCS(=O)(=O)CCCOC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001328227176 849546048 /nfs/dbraw/zinc/54/60/48/849546048.db2.gz XSMXZRVAWMCERM-UHFFFAOYSA-N -1 0 358.376 -0.934 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccccc1Cn1ccnn1 ZINC001328286916 849555399 /nfs/dbraw/zinc/55/53/99/849555399.db2.gz JHQGDTHSICFDMS-UHFFFAOYSA-N -1 0 351.388 -0.478 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC001328297874 849558270 /nfs/dbraw/zinc/55/82/70/849558270.db2.gz ZODQJUZWRROPJX-KCJUWKMLSA-N -1 0 355.372 -0.390 20 0 FBADRM CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC001328317552 849560887 /nfs/dbraw/zinc/56/08/87/849560887.db2.gz SBAJQHKPHNBUDI-UHFFFAOYSA-N -1 0 359.404 -0.292 20 0 FBADRM COCCOC[C@H](C)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001328332689 849564048 /nfs/dbraw/zinc/56/40/48/849564048.db2.gz CPWHGRQVGFCOPO-JTQLQIEISA-N -1 0 356.379 -0.191 20 0 FBADRM COCCOC[C@@H](C)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001328332690 849563936 /nfs/dbraw/zinc/56/39/36/849563936.db2.gz CPWHGRQVGFCOPO-SNVBAGLBSA-N -1 0 356.379 -0.191 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C[C@H](C)N1CCO ZINC001328333287 849563982 /nfs/dbraw/zinc/56/39/82/849563982.db2.gz JTOVSBJGERQTMC-PHIMTYICSA-N -1 0 350.375 -0.368 20 0 FBADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001328334177 849564886 /nfs/dbraw/zinc/56/48/86/849564886.db2.gz PHUDMSYOSCRXKP-SECBINFHSA-N -1 0 374.419 -0.467 20 0 FBADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001328334178 849564861 /nfs/dbraw/zinc/56/48/61/849564861.db2.gz PHUDMSYOSCRXKP-VIFPVBQESA-N -1 0 374.419 -0.467 20 0 FBADRM COCCO[N-]C(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC001328335665 849564918 /nfs/dbraw/zinc/56/49/18/849564918.db2.gz BEXMYSJHLOEYHD-JTQLQIEISA-N -1 0 358.372 -0.968 20 0 FBADRM COCCO[N-]C(=O)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC001328335667 849564979 /nfs/dbraw/zinc/56/49/79/849564979.db2.gz BEXMYSJHLOEYHD-SNVBAGLBSA-N -1 0 358.372 -0.968 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)CC2(n3cnnn3)CCOCC2)cn1 ZINC001328335956 849564579 /nfs/dbraw/zinc/56/45/79/849564579.db2.gz ANCMRTBOVXPXTB-UHFFFAOYSA-N -1 0 369.407 -0.710 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2cnn3ccncc23)CC1 ZINC001328335960 849564706 /nfs/dbraw/zinc/56/47/06/849564706.db2.gz AULNABODRKTJMJ-UHFFFAOYSA-N -1 0 351.388 -0.200 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(C)s1 ZINC001328336489 849564825 /nfs/dbraw/zinc/56/48/25/849564825.db2.gz DTMXAIRUFGBYHP-UHFFFAOYSA-N -1 0 364.445 -0.106 20 0 FBADRM CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1 ZINC001328336837 849564678 /nfs/dbraw/zinc/56/46/78/849564678.db2.gz GAOSWYZSLVSOQT-LLVKDONJSA-N -1 0 350.437 -0.115 20 0 FBADRM CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1 ZINC001328336839 849564570 /nfs/dbraw/zinc/56/45/70/849564570.db2.gz GAOSWYZSLVSOQT-NSHDSACASA-N -1 0 350.437 -0.115 20 0 FBADRM Cc1nc(Cn2nnc(C(=O)[N-]S(=O)(=O)CC(F)F)c2C)no1 ZINC001328337689 849564992 /nfs/dbraw/zinc/56/49/92/849564992.db2.gz IXYXJHKPMCOQAB-UHFFFAOYSA-N -1 0 350.307 -0.349 20 0 FBADRM COCCCn1nc(C(=O)N2CCC[C@]2(COC)C(=O)[O-])ccc1=O ZINC001328337959 849564853 /nfs/dbraw/zinc/56/48/53/849564853.db2.gz KCFFNBBQGJXYMP-INIZCTEOSA-N -1 0 353.375 -0.014 20 0 FBADRM COCCCn1nc(C(=O)N2CCC[C@@]2(COC)C(=O)[O-])ccc1=O ZINC001328337963 849564940 /nfs/dbraw/zinc/56/49/40/849564940.db2.gz KCFFNBBQGJXYMP-MRXNPFEDSA-N -1 0 353.375 -0.014 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cn(CC2(C)COC2)nn1 ZINC001328338235 849564758 /nfs/dbraw/zinc/56/47/58/849564758.db2.gz LKAWVAXWNINPPU-UHFFFAOYSA-N -1 0 362.408 -0.964 20 0 FBADRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC001328338692 849565780 /nfs/dbraw/zinc/56/57/80/849565780.db2.gz LMNJIHMPFHWFLS-UHFFFAOYSA-N -1 0 373.456 -0.064 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)C1CCC(C(=O)N(C)C)CC1 ZINC001328338729 849565668 /nfs/dbraw/zinc/56/56/68/849565668.db2.gz MTMRQOBANADTMX-UHFFFAOYSA-N -1 0 364.464 -0.010 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C1CCN(C(=O)C(C)C)CC1 ZINC001328338744 849565741 /nfs/dbraw/zinc/56/57/41/849565741.db2.gz MYAGXQGAXIJJSY-UHFFFAOYSA-N -1 0 364.464 -0.012 20 0 FBADRM CO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)[C@H](C(=O)[O-])C1 ZINC001328339712 849565660 /nfs/dbraw/zinc/56/56/60/849565660.db2.gz RUQFFHVSCHOSOS-GWCFXTLKSA-N -1 0 373.431 -0.020 20 0 FBADRM CO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)[C@@H](C(=O)[O-])C1 ZINC001328339715 849565706 /nfs/dbraw/zinc/56/57/06/849565706.db2.gz RUQFFHVSCHOSOS-GXFFZTMASA-N -1 0 373.431 -0.020 20 0 FBADRM CO[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)[C@H](C(=O)[O-])C1 ZINC001328339718 849565653 /nfs/dbraw/zinc/56/56/53/849565653.db2.gz RUQFFHVSCHOSOS-MFKMUULPSA-N -1 0 373.431 -0.020 20 0 FBADRM CO[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)[C@@H](C(=O)[O-])C1 ZINC001328339721 849565486 /nfs/dbraw/zinc/56/54/86/849565486.db2.gz RUQFFHVSCHOSOS-ZWNOBZJWSA-N -1 0 373.431 -0.020 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@@H](C)NC(C)=O ZINC001328339732 849565586 /nfs/dbraw/zinc/56/55/86/849565586.db2.gz SCJSCVNOJSVOBU-MRVPVSSYSA-N -1 0 363.417 -0.795 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@H](C)NC(C)=O ZINC001328339735 849565808 /nfs/dbraw/zinc/56/58/08/849565808.db2.gz SCJSCVNOJSVOBU-QMMMGPOBSA-N -1 0 363.417 -0.795 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CC2(n3cnnn3)CCOCC2)cn1 ZINC001328341537 849565452 /nfs/dbraw/zinc/56/54/52/849565452.db2.gz YJLUVPIBCTVNDN-UHFFFAOYSA-N -1 0 366.403 -0.223 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1c(C(F)(F)F)nc2n1CCCC2 ZINC001328342039 849565736 /nfs/dbraw/zinc/56/57/36/849565736.db2.gz YPDHRDHHEWOABY-UHFFFAOYSA-N -1 0 354.310 -0.217 20 0 FBADRM C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001328350085 849566637 /nfs/dbraw/zinc/56/66/37/849566637.db2.gz KSGSKSWLGZOVDM-CYBMUJFWSA-N -1 0 355.435 -0.073 20 0 FBADRM C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001328350088 849566768 /nfs/dbraw/zinc/56/67/68/849566768.db2.gz KSGSKSWLGZOVDM-ZDUSSCGKSA-N -1 0 355.435 -0.073 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCC[S@](C)=O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001328353434 849567292 /nfs/dbraw/zinc/56/72/92/849567292.db2.gz ULCSHPCBRMZUOG-IRAAMPASSA-N -1 0 371.381 -0.603 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCC[S@@](C)=O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001328353437 849567327 /nfs/dbraw/zinc/56/73/27/849567327.db2.gz ULCSHPCBRMZUOG-VUELRTANSA-N -1 0 371.381 -0.603 20 0 FBADRM C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCS(=O)(=O)C1 ZINC001328359184 849568320 /nfs/dbraw/zinc/56/83/20/849568320.db2.gz VTTFQXDMLUFDFB-SECBINFHSA-N -1 0 362.429 -0.454 20 0 FBADRM C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCS(=O)(=O)C1 ZINC001328359185 849568301 /nfs/dbraw/zinc/56/83/01/849568301.db2.gz VTTFQXDMLUFDFB-VIFPVBQESA-N -1 0 362.429 -0.454 20 0 FBADRM CO[C@H](CS(=O)(=O)[N-]c1ccn(CCC(N)=O)n1)C1CCOCC1 ZINC001328379110 849572719 /nfs/dbraw/zinc/57/27/19/849572719.db2.gz MTEVHHBLOIWSQZ-GFCCVEGCSA-N -1 0 360.436 -0.058 20 0 FBADRM CO[C@@H](CS(=O)(=O)[N-]c1ccn(CCC(N)=O)n1)C1CCOCC1 ZINC001328379111 849572876 /nfs/dbraw/zinc/57/28/76/849572876.db2.gz MTEVHHBLOIWSQZ-LBPRGKRZSA-N -1 0 360.436 -0.058 20 0 FBADRM Cn1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)n1 ZINC001328379259 849572829 /nfs/dbraw/zinc/57/28/29/849572829.db2.gz RMKFSWGWJOKJLM-UHFFFAOYSA-N -1 0 357.413 -0.129 20 0 FBADRM Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NC[C@](C)(O)C(=O)[O-])c(C)c12 ZINC001328386617 849573580 /nfs/dbraw/zinc/57/35/80/849573580.db2.gz GUNRRPVLELWSCJ-INIZCTEOSA-N -1 0 350.375 -0.237 20 0 FBADRM Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NC[C@@](C)(O)C(=O)[O-])c(C)c12 ZINC001328386618 849573744 /nfs/dbraw/zinc/57/37/44/849573744.db2.gz GUNRRPVLELWSCJ-MRXNPFEDSA-N -1 0 350.375 -0.237 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@H](N3CCOC3=O)C2)c1 ZINC001328392352 849573698 /nfs/dbraw/zinc/57/36/98/849573698.db2.gz JEENIDBSAUPYDX-SECBINFHSA-N -1 0 355.372 -0.294 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@H](N3CCOC3=O)C2)c1 ZINC001328392353 849573763 /nfs/dbraw/zinc/57/37/63/849573763.db2.gz JEENIDBSAUPYDX-VIFPVBQESA-N -1 0 355.372 -0.294 20 0 FBADRM CN(C)C1(CS(=O)(=O)[N-]C(=O)C[C@H]2CCS(=O)(=O)C2)CCC1 ZINC001328399381 849575537 /nfs/dbraw/zinc/57/55/37/849575537.db2.gz BUQZMJKRGIJFOK-LLVKDONJSA-N -1 0 352.478 -0.259 20 0 FBADRM CN(C)C1(CS(=O)(=O)[N-]C(=O)C[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC001328399382 849575441 /nfs/dbraw/zinc/57/54/41/849575441.db2.gz BUQZMJKRGIJFOK-NSHDSACASA-N -1 0 352.478 -0.259 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C[C@H](C)N1CCO ZINC001328400127 849575203 /nfs/dbraw/zinc/57/52/03/849575203.db2.gz BRZYGLUWSHULTG-BETUJISGSA-N -1 0 355.435 -0.387 20 0 FBADRM CN(C)c1ncncc1NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001328401045 849575225 /nfs/dbraw/zinc/57/52/25/849575225.db2.gz QRMPTQZXGFRDJZ-UHFFFAOYSA-N -1 0 351.363 -0.521 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)c1 ZINC001328401829 849575401 /nfs/dbraw/zinc/57/54/01/849575401.db2.gz CNOMTCFDIYXQOP-BXKDBHETSA-N -1 0 353.400 -0.220 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)c1 ZINC001328401832 849576427 /nfs/dbraw/zinc/57/64/27/849576427.db2.gz CNOMTCFDIYXQOP-CABZTGNLSA-N -1 0 353.400 -0.220 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)c1 ZINC001328401835 849575978 /nfs/dbraw/zinc/57/59/78/849575978.db2.gz CNOMTCFDIYXQOP-JOYOIKCWSA-N -1 0 353.400 -0.220 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1 ZINC001328401838 849576444 /nfs/dbraw/zinc/57/64/44/849576444.db2.gz CNOMTCFDIYXQOP-SKDRFNHKSA-N -1 0 353.400 -0.220 20 0 FBADRM O=C(NCCS(=O)(=O)CC(F)(F)F)c1c[n-]n2c1nccc2=O ZINC001328404058 849576190 /nfs/dbraw/zinc/57/61/90/849576190.db2.gz RAZFVUWJWPOHRW-UHFFFAOYSA-N -1 0 352.294 -0.271 20 0 FBADRM Cc1noc(C)c1CCNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001328442353 849582469 /nfs/dbraw/zinc/58/24/69/849582469.db2.gz CJKMVLWHWGUBRA-UHFFFAOYSA-N -1 0 353.375 -0.052 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)CCOCC1 ZINC001328443425 849582528 /nfs/dbraw/zinc/58/25/28/849582528.db2.gz FOJXSJVQUXMIEO-LLVKDONJSA-N -1 0 350.375 -0.619 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)CCOCC1 ZINC001328443426 849582291 /nfs/dbraw/zinc/58/22/91/849582291.db2.gz FOJXSJVQUXMIEO-NSHDSACASA-N -1 0 350.375 -0.619 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@H]2CCNC2=O)c1 ZINC001328448981 849583600 /nfs/dbraw/zinc/58/36/00/849583600.db2.gz BWPKRNAOETZHIN-LBPRGKRZSA-N -1 0 354.388 -0.365 20 0 FBADRM CCS(=O)(=O)C1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC001328449059 849583899 /nfs/dbraw/zinc/58/38/99/849583899.db2.gz BGKUTHNMJHIJBX-WDEREUQCSA-N -1 0 360.432 -0.218 20 0 FBADRM Cn1cnc(CCCNC(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)n1 ZINC001328449862 849583912 /nfs/dbraw/zinc/58/39/12/849583912.db2.gz FZBWDUZOKSNBLG-GFCCVEGCSA-N -1 0 351.407 -0.033 20 0 FBADRM Cn1cnc(CCCNC(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)n1 ZINC001328449863 849583367 /nfs/dbraw/zinc/58/33/67/849583367.db2.gz FZBWDUZOKSNBLG-LBPRGKRZSA-N -1 0 351.407 -0.033 20 0 FBADRM CCn1nc(C)c(CNC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)n1 ZINC001328451347 849583745 /nfs/dbraw/zinc/58/37/45/849583745.db2.gz QIRSBMZZACNHEH-UHFFFAOYSA-N -1 0 353.379 -0.780 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCCO[C@@H]2CCOC2)CCOCC1 ZINC001328451578 849583714 /nfs/dbraw/zinc/58/37/14/849583714.db2.gz QXOZHTXRBLEPLL-GFCCVEGCSA-N -1 0 358.391 -0.704 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCCO[C@H]2CCOC2)CCOCC1 ZINC001328451582 849583859 /nfs/dbraw/zinc/58/38/59/849583859.db2.gz QXOZHTXRBLEPLL-LBPRGKRZSA-N -1 0 358.391 -0.704 20 0 FBADRM CN(CCNS(C)(=O)=O)C(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001328455618 849584341 /nfs/dbraw/zinc/58/43/41/849584341.db2.gz PYPICAVZUPFUTN-UHFFFAOYSA-N -1 0 363.436 -0.903 20 0 FBADRM C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CC1 ZINC001328456363 849584604 /nfs/dbraw/zinc/58/46/04/849584604.db2.gz VXEMLEZYRBBBHV-ZDUSSCGKSA-N -1 0 355.435 -0.385 20 0 FBADRM C[C@H](CN(C)C(=O)C(=O)N(CCN1CCOCC1)CC1CC1)C(=O)[O-] ZINC001328456633 849584736 /nfs/dbraw/zinc/58/47/36/849584736.db2.gz YXYVUSWDPKSCTO-CYBMUJFWSA-N -1 0 355.435 -0.264 20 0 FBADRM C[C@@H](CN(C)C(=O)C(=O)N(CCN1CCOCC1)CC1CC1)C(=O)[O-] ZINC001328456635 849584672 /nfs/dbraw/zinc/58/46/72/849584672.db2.gz YXYVUSWDPKSCTO-ZDUSSCGKSA-N -1 0 355.435 -0.264 20 0 FBADRM CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCOC[C@@H]3C(=O)[O-])c2C1 ZINC001328471279 849586254 /nfs/dbraw/zinc/58/62/54/849586254.db2.gz BQZOEAWEANZFFV-BXUZGUMPSA-N -1 0 350.375 -0.493 20 0 FBADRM CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCOC[C@H]3C(=O)[O-])c2C1 ZINC001328471281 849586308 /nfs/dbraw/zinc/58/63/08/849586308.db2.gz BQZOEAWEANZFFV-FZMZJTMJSA-N -1 0 350.375 -0.493 20 0 FBADRM CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCOC[C@H]3C(=O)[O-])c2C1 ZINC001328471283 849586215 /nfs/dbraw/zinc/58/62/15/849586215.db2.gz BQZOEAWEANZFFV-RISCZKNCSA-N -1 0 350.375 -0.493 20 0 FBADRM CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCOC[C@@H]3C(=O)[O-])c2C1 ZINC001328471285 849586290 /nfs/dbraw/zinc/58/62/90/849586290.db2.gz BQZOEAWEANZFFV-SMDDNHRTSA-N -1 0 350.375 -0.493 20 0 FBADRM O=C([O-])C1(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC=CC1 ZINC001328471320 849586314 /nfs/dbraw/zinc/58/63/14/849586314.db2.gz CFARPAKDOZNNTM-UHFFFAOYSA-N -1 0 351.403 -0.590 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)NCC2(C(=O)[O-])CCOCC2)n1 ZINC001328477678 849587213 /nfs/dbraw/zinc/58/72/13/849587213.db2.gz JPEALOWZXDLAFO-UHFFFAOYSA-N -1 0 353.379 -0.026 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1nnn(-c2ccn(C)n2)c1C)OC ZINC001328491811 849589446 /nfs/dbraw/zinc/58/94/46/849589446.db2.gz NOWSYLUHIXFNAF-JTQLQIEISA-N -1 0 372.407 -0.970 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1nnn(-c2ccn(C)n2)c1C)OC ZINC001328491812 849589400 /nfs/dbraw/zinc/58/94/00/849589400.db2.gz NOWSYLUHIXFNAF-SNVBAGLBSA-N -1 0 372.407 -0.970 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nncn1C)OC ZINC001328492207 849589220 /nfs/dbraw/zinc/58/92/20/849589220.db2.gz QFNFUPXGXWIVDB-BDAKNGLRSA-N -1 0 352.438 -0.597 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H](C)Sc1nncn1C)OC ZINC001328492210 849588900 /nfs/dbraw/zinc/58/89/00/849588900.db2.gz QFNFUPXGXWIVDB-DTWKUNHWSA-N -1 0 352.438 -0.597 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H](C)Sc1nncn1C)OC ZINC001328492212 849588939 /nfs/dbraw/zinc/58/89/39/849588939.db2.gz QFNFUPXGXWIVDB-IUCAKERBSA-N -1 0 352.438 -0.597 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nncn1C)OC ZINC001328492215 849589398 /nfs/dbraw/zinc/58/93/98/849589398.db2.gz QFNFUPXGXWIVDB-RKDXNWHRSA-N -1 0 352.438 -0.597 20 0 FBADRM COCCO[N-]C(=O)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 ZINC001328514869 849592669 /nfs/dbraw/zinc/59/26/69/849592669.db2.gz BIZBAEUTQZRSIC-UHFFFAOYSA-N -1 0 355.313 -0.260 20 0 FBADRM NC(=O)c1cc(F)ccc1N1CCN(CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001328530280 849595415 /nfs/dbraw/zinc/59/54/15/849595415.db2.gz GCRYELOVXIJSAR-UHFFFAOYSA-N -1 0 373.406 -0.454 20 0 FBADRM CN(Cc1ccccc1S(N)(=O)=O)C(=O)c1c[n-]n2c1nccc2=O ZINC001328543370 849597027 /nfs/dbraw/zinc/59/70/27/849597027.db2.gz RNJCDEBWZVJRMJ-UHFFFAOYSA-N -1 0 361.383 -0.058 20 0 FBADRM O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1c[n-]n2c1nccc2=O ZINC001328560514 849599293 /nfs/dbraw/zinc/59/92/93/849599293.db2.gz GUBGUMUWCYNORT-UHFFFAOYSA-N -1 0 365.415 -0.291 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCC([C@H](O)c2ccnn2C)CC1 ZINC001328570753 849601164 /nfs/dbraw/zinc/60/11/64/849601164.db2.gz ZCNRNHUOEVTFIN-AWEZNQCLSA-N -1 0 352.391 -0.375 20 0 FBADRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCC([C@@H](O)c2ccnn2C)CC1 ZINC001328570754 849601265 /nfs/dbraw/zinc/60/12/65/849601265.db2.gz ZCNRNHUOEVTFIN-CQSZACIVSA-N -1 0 352.391 -0.375 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(S(=O)(=O)C[C@@H]3CCOC3)CC2)C1 ZINC001328603733 849605052 /nfs/dbraw/zinc/60/50/52/849605052.db2.gz CFSJWGPRPLGSKH-NEPJUHHUSA-N -1 0 360.432 -0.250 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(S(=O)(=O)C[C@H]3CCOC3)CC2)C1 ZINC001328603735 849604957 /nfs/dbraw/zinc/60/49/57/849604957.db2.gz CFSJWGPRPLGSKH-NWDGAFQWSA-N -1 0 360.432 -0.250 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(S(=O)(=O)C[C@H]3CCOC3)CC2)C1 ZINC001328603736 849604854 /nfs/dbraw/zinc/60/48/54/849604854.db2.gz CFSJWGPRPLGSKH-RYUDHWBXSA-N -1 0 360.432 -0.250 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(S(=O)(=O)C[C@@H]3CCOC3)CC2)C1 ZINC001328603739 849604993 /nfs/dbraw/zinc/60/49/93/849604993.db2.gz CFSJWGPRPLGSKH-VXGBXAGGSA-N -1 0 360.432 -0.250 20 0 FBADRM C[C@@](O)(CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C(=O)[O-] ZINC001328606800 849605538 /nfs/dbraw/zinc/60/55/38/849605538.db2.gz QCCDAYOGYQENSI-GFCCVEGCSA-N -1 0 351.402 -0.259 20 0 FBADRM C[C@](O)(CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C(=O)[O-] ZINC001328606801 849606027 /nfs/dbraw/zinc/60/60/27/849606027.db2.gz QCCDAYOGYQENSI-LBPRGKRZSA-N -1 0 351.402 -0.259 20 0 FBADRM CCS(=O)(=O)N1CCC(CNC(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001328636603 849608336 /nfs/dbraw/zinc/60/83/36/849608336.db2.gz LLZXWVQYEOYYET-UHFFFAOYSA-N -1 0 367.431 -0.186 20 0 FBADRM CCOc1ccncc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC001328636654 849608391 /nfs/dbraw/zinc/60/83/91/849608391.db2.gz ABSMBVJUNGOHFA-NXEZZACHSA-N -1 0 357.388 -0.181 20 0 FBADRM CCOc1ccncc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(N)=O ZINC001328636656 849608385 /nfs/dbraw/zinc/60/83/85/849608385.db2.gz ABSMBVJUNGOHFA-UWVGGRQHSA-N -1 0 357.388 -0.181 20 0 FBADRM CCOc1ccncc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(N)=O ZINC001328636658 849608307 /nfs/dbraw/zinc/60/83/07/849608307.db2.gz ABSMBVJUNGOHFA-VHSXEESVSA-N -1 0 357.388 -0.181 20 0 FBADRM CCOc1ccncc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(N)=O ZINC001328636660 849608461 /nfs/dbraw/zinc/60/84/61/849608461.db2.gz ABSMBVJUNGOHFA-ZJUUUORDSA-N -1 0 357.388 -0.181 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])s1 ZINC001328636740 849608420 /nfs/dbraw/zinc/60/84/20/849608420.db2.gz AVJFKKUTWSURGI-MWAODPMSSA-N -1 0 367.430 -0.692 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])s1 ZINC001328636742 849608663 /nfs/dbraw/zinc/60/86/63/849608663.db2.gz AVJFKKUTWSURGI-QFWYVNQISA-N -1 0 367.430 -0.692 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])s1 ZINC001328636743 849608238 /nfs/dbraw/zinc/60/82/38/849608238.db2.gz AVJFKKUTWSURGI-SGWXMTNESA-N -1 0 367.430 -0.692 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])s1 ZINC001328636745 849608530 /nfs/dbraw/zinc/60/85/30/849608530.db2.gz AVJFKKUTWSURGI-WODJRTHDSA-N -1 0 367.430 -0.692 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001328637380 849608452 /nfs/dbraw/zinc/60/84/52/849608452.db2.gz DPBPCKZWJTXKPU-HZSPNIEDSA-N -1 0 373.475 -0.745 20 0 FBADRM C[C@@H]1CC[C@H](C(=O)[O-])N1CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001328637382 849608469 /nfs/dbraw/zinc/60/84/69/849608469.db2.gz DPBPCKZWJTXKPU-MGPQQGTHSA-N -1 0 373.475 -0.745 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)N[C@H](CN1CCOCC1)C(=O)[O-] ZINC001328640595 849609183 /nfs/dbraw/zinc/60/91/83/849609183.db2.gz VSTZZHFEPHCMRV-LLVKDONJSA-N -1 0 363.461 -0.301 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)[O-] ZINC001328640597 849609150 /nfs/dbraw/zinc/60/91/50/849609150.db2.gz VSTZZHFEPHCMRV-NSHDSACASA-N -1 0 363.461 -0.301 20 0 FBADRM CCC(=O)C[C@@H](NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001328640658 849609403 /nfs/dbraw/zinc/60/94/03/849609403.db2.gz WNYVEJIHEPVQFG-GXSJLCMTSA-N -1 0 355.434 -0.447 20 0 FBADRM CCC(=O)C[C@H](NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001328640659 849609086 /nfs/dbraw/zinc/60/90/86/849609086.db2.gz WNYVEJIHEPVQFG-KOLCDFICSA-N -1 0 355.434 -0.447 20 0 FBADRM CCC(=O)C[C@@H](NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001328640661 849609499 /nfs/dbraw/zinc/60/94/99/849609499.db2.gz WNYVEJIHEPVQFG-MWLCHTKSSA-N -1 0 355.434 -0.447 20 0 FBADRM CCC(=O)C[C@H](NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001328640664 849609568 /nfs/dbraw/zinc/60/95/68/849609568.db2.gz WNYVEJIHEPVQFG-ONGXEEELSA-N -1 0 355.434 -0.447 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1 ZINC001328645410 849611155 /nfs/dbraw/zinc/61/11/55/849611155.db2.gz ORTJRABUYNKJTC-DTWKUNHWSA-N -1 0 355.363 -0.086 20 0 FBADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1 ZINC001328645412 849610771 /nfs/dbraw/zinc/61/07/71/849610771.db2.gz ORTJRABUYNKJTC-RKDXNWHRSA-N -1 0 355.363 -0.086 20 0 FBADRM O=C([O-])[C@]1(N2CCN(C(=O)c3noc4c3COCC4)CC2)CCOC1 ZINC001328646181 849611169 /nfs/dbraw/zinc/61/11/69/849611169.db2.gz LWWVZNUAJFMTGW-INIZCTEOSA-N -1 0 351.359 -0.251 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(C(=O)c3noc4c3COCC4)CC2)CCOC1 ZINC001328646182 849611112 /nfs/dbraw/zinc/61/11/12/849611112.db2.gz LWWVZNUAJFMTGW-MRXNPFEDSA-N -1 0 351.359 -0.251 20 0 FBADRM COc1ccccc1CO[N-]C(=O)C(=O)NCCCN(C)S(C)(=O)=O ZINC001328669533 849614063 /nfs/dbraw/zinc/61/40/63/849614063.db2.gz BRSWIELBSRXUAC-UHFFFAOYSA-N -1 0 373.431 -0.359 20 0 FBADRM O=C(N[C@@H](CO)C(=O)NCCc1n[n-]c(=S)o1)c1cccc(F)n1 ZINC001328709313 849619288 /nfs/dbraw/zinc/61/92/88/849619288.db2.gz DMQSFZMHCGMXSB-QMMMGPOBSA-N -1 0 355.351 -0.658 20 0 FBADRM COC(=O)[C@H]([N-]S(=O)(=O)CC1(OC)CCOCC1)c1ccnn1C ZINC001328711066 849620131 /nfs/dbraw/zinc/62/01/31/849620131.db2.gz XYVJUNWGTNAHCM-GFCCVEGCSA-N -1 0 361.420 -0.251 20 0 FBADRM COC(=O)[C@@H]([N-]S(=O)(=O)CC1(OC)CCOCC1)c1ccnn1C ZINC001328711067 849619927 /nfs/dbraw/zinc/61/99/27/849619927.db2.gz XYVJUNWGTNAHCM-LBPRGKRZSA-N -1 0 361.420 -0.251 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)CC)c1 ZINC001328725446 849621893 /nfs/dbraw/zinc/62/18/93/849621893.db2.gz DETBOEJSCWQTFN-UHFFFAOYSA-N -1 0 357.388 -0.397 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1nc(-c2nccn2C)cs1 ZINC001328726008 849622131 /nfs/dbraw/zinc/62/21/31/849622131.db2.gz FZQQMJRCBLYOBI-UHFFFAOYSA-N -1 0 352.376 -0.334 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ncc(CC(=O)OCC)s1 ZINC001328726447 849621994 /nfs/dbraw/zinc/62/19/94/849621994.db2.gz IAGALNCVRIRCRM-UHFFFAOYSA-N -1 0 358.376 -0.629 20 0 FBADRM O=C([O-])COCCN1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC001328739408 849624242 /nfs/dbraw/zinc/62/42/42/849624242.db2.gz FWGHMQXNQQACSD-UHFFFAOYSA-N -1 0 368.415 -0.030 20 0 FBADRM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN(C)CC(=O)[O-] ZINC001328753878 849625536 /nfs/dbraw/zinc/62/55/36/849625536.db2.gz GDMKBVJWRNSVSD-UHFFFAOYSA-N -1 0 364.445 -0.273 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCCS(=O)(=O)C2)on1 ZINC001328755095 849625135 /nfs/dbraw/zinc/62/51/35/849625135.db2.gz DHJMGMZRTURXKS-MRVPVSSYSA-N -1 0 352.390 -0.436 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCCS(=O)(=O)C2)on1 ZINC001328755096 849625003 /nfs/dbraw/zinc/62/50/03/849625003.db2.gz DHJMGMZRTURXKS-QMMMGPOBSA-N -1 0 352.390 -0.436 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)c1 ZINC001328756291 849625334 /nfs/dbraw/zinc/62/53/34/849625334.db2.gz KFHCLBVITMSSOA-KCJUWKMLSA-N -1 0 355.372 -0.390 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@H](Cn3ccnn3)C2)c1 ZINC001328758152 849626149 /nfs/dbraw/zinc/62/61/49/849626149.db2.gz NEMVQHVOKWSFBY-JTQLQIEISA-N -1 0 351.388 -0.207 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@H](Cn3ccnn3)C2)c1 ZINC001328758153 849626018 /nfs/dbraw/zinc/62/60/18/849626018.db2.gz NEMVQHVOKWSFBY-SNVBAGLBSA-N -1 0 351.388 -0.207 20 0 FBADRM CC(=O)NCC(=O)N1CCc2cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc21 ZINC001328762149 849626260 /nfs/dbraw/zinc/62/62/60/849626260.db2.gz IQIHJKHSBKTYIL-UHFFFAOYSA-N -1 0 368.415 -0.752 20 0 FBADRM O=C([N-]OC1CCOCC1)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC001328792523 849632190 /nfs/dbraw/zinc/63/21/90/849632190.db2.gz LZKZOUDGVSFQRF-UHFFFAOYSA-N -1 0 363.436 -0.951 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)COCc2ccncc2)cc1C(N)=O ZINC001328795501 849632996 /nfs/dbraw/zinc/63/29/96/849632996.db2.gz FYLSRWGWLMMMAM-UHFFFAOYSA-N -1 0 352.372 -0.459 20 0 FBADRM O=C([N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O)[C@]1(F)CCOC1 ZINC001328796557 849633023 /nfs/dbraw/zinc/63/30/23/849633023.db2.gz NCAYVWKTANLSGG-HNNXBMFYSA-N -1 0 370.358 -0.143 20 0 FBADRM O=C([N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O)[C@@]1(F)CCOC1 ZINC001328796558 849633067 /nfs/dbraw/zinc/63/30/67/849633067.db2.gz NCAYVWKTANLSGG-OAHLLOKOSA-N -1 0 370.358 -0.143 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)COCc2ccncc2)CC1 ZINC001328798416 849633093 /nfs/dbraw/zinc/63/30/93/849633093.db2.gz WTAHJAZDBKENJD-UHFFFAOYSA-N -1 0 371.415 -0.156 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O)s1 ZINC001328800281 849633910 /nfs/dbraw/zinc/63/39/10/849633910.db2.gz SBTXCUJLRCBHKM-UHFFFAOYSA-N -1 0 369.446 -0.269 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC001328815567 849637013 /nfs/dbraw/zinc/63/70/13/849637013.db2.gz HCPLKAPTIVJMJC-ILXRZTDVSA-N -1 0 355.435 -0.170 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC001328815568 849637068 /nfs/dbraw/zinc/63/70/68/849637068.db2.gz HCPLKAPTIVJMJC-KFWWJZLASA-N -1 0 355.435 -0.170 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC001328815569 849637117 /nfs/dbraw/zinc/63/71/17/849637117.db2.gz HCPLKAPTIVJMJC-QLFBSQMISA-N -1 0 355.435 -0.170 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC001328815570 849636722 /nfs/dbraw/zinc/63/67/22/849636722.db2.gz HCPLKAPTIVJMJC-RBSFLKMASA-N -1 0 355.435 -0.170 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-]CC2CCS(=O)(=O)CC2)on1 ZINC001328827986 849640471 /nfs/dbraw/zinc/64/04/71/849640471.db2.gz LHSURSZPNZVSPX-UHFFFAOYSA-N -1 0 352.390 -0.436 20 0 FBADRM CCO[N-]C(=O)CNC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 ZINC001328831663 849641440 /nfs/dbraw/zinc/64/14/40/849641440.db2.gz BZRJNYCWPRLRNQ-UHFFFAOYSA-N -1 0 368.415 -0.235 20 0 FBADRM CCO[N-]C(=O)CNC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 ZINC001328832491 849641445 /nfs/dbraw/zinc/64/14/45/849641445.db2.gz ODXWDXKELDQYPE-UHFFFAOYSA-N -1 0 363.367 -0.792 20 0 FBADRM CCO[N-]C(=O)CNC(=O)CNS(=O)(=O)c1ccc(OCC)cc1 ZINC001328841381 849643330 /nfs/dbraw/zinc/64/33/30/849643330.db2.gz PDLLXCHZNONTRX-UHFFFAOYSA-N -1 0 359.404 -0.453 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC001328842151 849643411 /nfs/dbraw/zinc/64/34/11/849643411.db2.gz SNJKFTRVMCJGJR-UHFFFAOYSA-N -1 0 370.431 -0.334 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC001328873208 849649187 /nfs/dbraw/zinc/64/91/87/849649187.db2.gz TVDCWTJZCZSUJS-UONOGXRCSA-N -1 0 353.419 -0.510 20 0 FBADRM CCCS(=O)(=O)CC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001328873261 849649326 /nfs/dbraw/zinc/64/93/26/849649326.db2.gz UMSJNDJSCLTWOC-LLVKDONJSA-N -1 0 360.432 -0.265 20 0 FBADRM CCCS(=O)(=O)CC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001328873263 849649246 /nfs/dbraw/zinc/64/92/46/849649246.db2.gz UMSJNDJSCLTWOC-NSHDSACASA-N -1 0 360.432 -0.265 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(N(CC)CC)nc1 ZINC001328883140 849651497 /nfs/dbraw/zinc/65/14/97/849651497.db2.gz DKIAWGFYPVGRGF-UHFFFAOYSA-N -1 0 351.407 -0.272 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(OCC)c(OC)c1 ZINC001328884336 849651747 /nfs/dbraw/zinc/65/17/47/849651747.db2.gz NAWMAFUHPCCXDK-UHFFFAOYSA-N -1 0 353.375 -0.106 20 0 FBADRM CSCC[C@H](NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)C(N)=O ZINC001328891288 849652894 /nfs/dbraw/zinc/65/28/94/849652894.db2.gz BZFZYEIQXNNJDW-NSHDSACASA-N -1 0 353.400 -0.025 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(CS(C)(=O)=O)cc1 ZINC001328901510 849654451 /nfs/dbraw/zinc/65/44/51/849654451.db2.gz QZRGOCXOFDYQNY-UHFFFAOYSA-N -1 0 371.415 -0.969 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cccc2c1OCCCO2 ZINC001328901931 849655420 /nfs/dbraw/zinc/65/54/20/849655420.db2.gz VMEXLDBEQVEQDY-UHFFFAOYSA-N -1 0 351.359 -0.352 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCOc1ccc2c(c1)OCO2 ZINC001328902221 849655927 /nfs/dbraw/zinc/65/59/27/849655927.db2.gz YRAXNXNNOWRAPO-UHFFFAOYSA-N -1 0 353.331 -0.906 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1cc(OC)ccc1OC ZINC001328902856 849656025 /nfs/dbraw/zinc/65/60/25/849656025.db2.gz KDCHPIPBFIPKSV-UHFFFAOYSA-N -1 0 353.375 -0.454 20 0 FBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C ZINC001328917250 849658200 /nfs/dbraw/zinc/65/82/00/849658200.db2.gz QUJNWLPUVCYEHN-NSHDSACASA-N -1 0 356.404 -0.641 20 0 FBADRM COC(=O)[C@H](O)C1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1 ZINC001328917593 849659200 /nfs/dbraw/zinc/65/92/00/849659200.db2.gz WOLWZHGBCQDZBG-CYBMUJFWSA-N -1 0 371.415 -0.161 20 0 FBADRM COC(=O)[C@@H](O)C1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1 ZINC001328917594 849659096 /nfs/dbraw/zinc/65/90/96/849659096.db2.gz WOLWZHGBCQDZBG-ZDUSSCGKSA-N -1 0 371.415 -0.161 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCO1 ZINC001328918185 849659269 /nfs/dbraw/zinc/65/92/69/849659269.db2.gz DFCPDOQQFPSNFL-GFCCVEGCSA-N -1 0 356.404 -0.570 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCO1 ZINC001328918186 849659138 /nfs/dbraw/zinc/65/91/38/849659138.db2.gz DFCPDOQQFPSNFL-LBPRGKRZSA-N -1 0 356.404 -0.570 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)OCCCNS(C)(=O)=O)cn1 ZINC001328924399 849659858 /nfs/dbraw/zinc/65/98/58/849659858.db2.gz XJBOVPUQMZJJNQ-UHFFFAOYSA-N -1 0 351.406 -0.451 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)c1c(Br)nc2n1CCOC2 ZINC001328930399 849660799 /nfs/dbraw/zinc/66/07/99/849660799.db2.gz PFXFOHNYVDPJJX-UHFFFAOYSA-N -1 0 353.198 -0.288 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)oc1C ZINC001328930883 849660650 /nfs/dbraw/zinc/66/06/50/849660650.db2.gz CMVHSKBAHGCEGZ-UHFFFAOYSA-N -1 0 353.374 -0.386 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(Cn2cncn2)c1 ZINC001328932604 849661800 /nfs/dbraw/zinc/66/18/00/849661800.db2.gz NBTRJABXXMSJSG-JTQLQIEISA-N -1 0 352.372 -0.053 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(Cn2cncn2)c1 ZINC001328932605 849661819 /nfs/dbraw/zinc/66/18/19/849661819.db2.gz NBTRJABXXMSJSG-SNVBAGLBSA-N -1 0 352.372 -0.053 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccon2)C1 ZINC001328932634 849661555 /nfs/dbraw/zinc/66/15/55/849661555.db2.gz NYOIENROOSUOJQ-VIFPVBQESA-N -1 0 351.406 -0.708 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1ccnc(N2CCOCC2)n1 ZINC001328932700 849662017 /nfs/dbraw/zinc/66/20/17/849662017.db2.gz QCQJKQFMTHLBQO-LLVKDONJSA-N -1 0 356.404 -0.448 20 0 FBADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1ccnc(N2CCOCC2)n1 ZINC001328932701 849661631 /nfs/dbraw/zinc/66/16/31/849661631.db2.gz QCQJKQFMTHLBQO-NSHDSACASA-N -1 0 356.404 -0.448 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(OC)c(OCC)c1 ZINC001328932784 849661533 /nfs/dbraw/zinc/66/15/33/849661533.db2.gz UYMKXZRLGXLGIB-UHFFFAOYSA-N -1 0 353.375 -0.106 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)cn1 ZINC001328932887 849661920 /nfs/dbraw/zinc/66/19/20/849661920.db2.gz SMYLGPZFUCXCTB-UHFFFAOYSA-N -1 0 356.360 -0.821 20 0 FBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(C)C ZINC001328936637 849662769 /nfs/dbraw/zinc/66/27/69/849662769.db2.gz IWBIBDCNRPLXBE-DGCLKSJQSA-N -1 0 358.420 -0.190 20 0 FBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(C)C ZINC001328936639 849662511 /nfs/dbraw/zinc/66/25/11/849662511.db2.gz IWBIBDCNRPLXBE-WCQYABFASA-N -1 0 358.420 -0.190 20 0 FBADRM Cc1oc(S(C)(=O)=O)cc1C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC001328938189 849662828 /nfs/dbraw/zinc/66/28/28/849662828.db2.gz YRVZZKDVBYKMAO-UHFFFAOYSA-N -1 0 361.401 -0.015 20 0 FBADRM CC(=O)N[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1 ZINC001328938210 849662648 /nfs/dbraw/zinc/66/26/48/849662648.db2.gz YZJMEUPPERSNAL-CQSZACIVSA-N -1 0 361.464 -0.006 20 0 FBADRM Cc1cn(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)nc1C(F)(F)F ZINC001328947425 849664300 /nfs/dbraw/zinc/66/43/00/849664300.db2.gz ZTKYWDXMWWMPRR-UHFFFAOYSA-N -1 0 356.326 -0.208 20 0 FBADRM C[S@@](=O)CCN1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1 ZINC001328953677 849664991 /nfs/dbraw/zinc/66/49/91/849664991.db2.gz QYGQWOTXPKRPIG-HSZRJFAPSA-N -1 0 374.488 -0.411 20 0 FBADRM C[S@](=O)CCN1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1 ZINC001328953678 849664970 /nfs/dbraw/zinc/66/49/70/849664970.db2.gz QYGQWOTXPKRPIG-QHCPKHFHSA-N -1 0 374.488 -0.411 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)CC[C@H]1C(=O)[O-] ZINC001328966341 849667522 /nfs/dbraw/zinc/66/75/22/849667522.db2.gz XLBLCMKXHMULEP-CHWSQXEVSA-N -1 0 355.435 -0.217 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)CC[C@@H]1C(=O)[O-] ZINC001328966342 849667528 /nfs/dbraw/zinc/66/75/28/849667528.db2.gz XLBLCMKXHMULEP-OLZOCXBDSA-N -1 0 355.435 -0.217 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)CC[C@H]1C(=O)[O-] ZINC001328966343 849667714 /nfs/dbraw/zinc/66/77/14/849667714.db2.gz XLBLCMKXHMULEP-QWHCGFSZSA-N -1 0 355.435 -0.217 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)CC[C@@H]1C(=O)[O-] ZINC001328966344 849667492 /nfs/dbraw/zinc/66/74/92/849667492.db2.gz XLBLCMKXHMULEP-STQMWFEESA-N -1 0 355.435 -0.217 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@@H](O)CN2CCCC2=O)cn1 ZINC001328977189 849669144 /nfs/dbraw/zinc/66/91/44/849669144.db2.gz KTGANDLPUIZMHR-LLVKDONJSA-N -1 0 356.404 -0.834 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@H](O)CN2CCCC2=O)cn1 ZINC001328977190 849669453 /nfs/dbraw/zinc/66/94/53/849669453.db2.gz KTGANDLPUIZMHR-NSHDSACASA-N -1 0 356.404 -0.834 20 0 FBADRM CS(=O)(=O)NC[C@H]1COCCN1CC(=O)[N-]OCc1ccccc1 ZINC001328977445 849669230 /nfs/dbraw/zinc/66/92/30/849669230.db2.gz MIIHBDAROYISKP-AWEZNQCLSA-N -1 0 357.432 -0.516 20 0 FBADRM CS(=O)(=O)NC[C@@H]1COCCN1CC(=O)[N-]OCc1ccccc1 ZINC001328977446 849669416 /nfs/dbraw/zinc/66/94/16/849669416.db2.gz MIIHBDAROYISKP-CQSZACIVSA-N -1 0 357.432 -0.516 20 0 FBADRM CON(C)C(=O)[C@H](CCSC)NC(=O)c1c[n-]n2c1nccc2=O ZINC001328988334 849671388 /nfs/dbraw/zinc/67/13/88/849671388.db2.gz IRIAOBFJVAKCGK-JTQLQIEISA-N -1 0 353.404 -0.106 20 0 FBADRM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1c[n-]n2c1nccc2=O ZINC001328990597 849672217 /nfs/dbraw/zinc/67/22/17/849672217.db2.gz RANZLWXFCZTMMP-GXSJLCMTSA-N -1 0 353.404 -0.530 20 0 FBADRM CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1c[n-]n2c1nccc2=O ZINC001328990599 849671906 /nfs/dbraw/zinc/67/19/06/849671906.db2.gz RANZLWXFCZTMMP-KOLCDFICSA-N -1 0 353.404 -0.530 20 0 FBADRM CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1c[n-]n2c1nccc2=O ZINC001328990601 849671918 /nfs/dbraw/zinc/67/19/18/849671918.db2.gz RANZLWXFCZTMMP-MWLCHTKSSA-N -1 0 353.404 -0.530 20 0 FBADRM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1c[n-]n2c1nccc2=O ZINC001328990603 849672343 /nfs/dbraw/zinc/67/23/43/849672343.db2.gz RANZLWXFCZTMMP-ONGXEEELSA-N -1 0 353.404 -0.530 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCN(c2nc(C)ns2)CC1 ZINC001328999640 849672732 /nfs/dbraw/zinc/67/27/32/849672732.db2.gz NCFMZSYBFAYZID-UHFFFAOYSA-N -1 0 370.435 -0.931 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001329000992 849672843 /nfs/dbraw/zinc/67/28/43/849672843.db2.gz PLALQAYXZKPNLD-CYBMUJFWSA-N -1 0 369.340 -0.278 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001329000994 849672851 /nfs/dbraw/zinc/67/28/51/849672851.db2.gz PLALQAYXZKPNLD-ZDUSSCGKSA-N -1 0 369.340 -0.278 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cnc2c(c1)NC(=O)CN2C ZINC001329011060 849673868 /nfs/dbraw/zinc/67/38/68/849673868.db2.gz IBNWBOJZGVHNQH-UHFFFAOYSA-N -1 0 356.360 -0.907 20 0 FBADRM O=C([N-]S(=O)(=O)C1CCOCC1)c1ccnc(N2CCOCC2)n1 ZINC001329011772 849673646 /nfs/dbraw/zinc/67/36/46/849673646.db2.gz KXINLTDQFBDXTO-UHFFFAOYSA-N -1 0 356.404 -0.448 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cn3c(n2)COCC3)s1 ZINC001329012235 849674718 /nfs/dbraw/zinc/67/47/18/849674718.db2.gz NJBZUKDOAPASHA-UHFFFAOYSA-N -1 0 356.385 -0.308 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)Cn2cc(C(=O)OC)cn2)nc1C ZINC001329012989 849674793 /nfs/dbraw/zinc/67/47/93/849674793.db2.gz SYMYJLKGHIIZPS-UHFFFAOYSA-N -1 0 355.376 -0.300 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cn(C[C@H]2CCOC2)nn1)OC ZINC001329026309 849676676 /nfs/dbraw/zinc/67/66/76/849676676.db2.gz GXQGWHGJFMXJCX-GHMZBOCLSA-N -1 0 362.408 -0.964 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cn(C[C@H]2CCOC2)nn1)OC ZINC001329026310 849676578 /nfs/dbraw/zinc/67/65/78/849676578.db2.gz GXQGWHGJFMXJCX-MNOVXSKESA-N -1 0 362.408 -0.964 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cn(C[C@@H]2CCOC2)nn1)OC ZINC001329026311 849676186 /nfs/dbraw/zinc/67/61/86/849676186.db2.gz GXQGWHGJFMXJCX-QWRGUYRKSA-N -1 0 362.408 -0.964 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cn(C[C@@H]2CCOC2)nn1)OC ZINC001329026312 849676131 /nfs/dbraw/zinc/67/61/31/849676131.db2.gz GXQGWHGJFMXJCX-WDEREUQCSA-N -1 0 362.408 -0.964 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)c2cn(C[C@@H]3CCOC3)nn2)cn1 ZINC001329027610 849676140 /nfs/dbraw/zinc/67/61/40/849676140.db2.gz SEWGBDDBCDJNGR-JTQLQIEISA-N -1 0 354.392 -0.692 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)c2cn(C[C@H]3CCOC3)nn2)cn1 ZINC001329027611 849676603 /nfs/dbraw/zinc/67/66/03/849676603.db2.gz SEWGBDDBCDJNGR-SNVBAGLBSA-N -1 0 354.392 -0.692 20 0 FBADRM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)cc1 ZINC001329027778 849676627 /nfs/dbraw/zinc/67/66/27/849676627.db2.gz USQZPWOAOPIBAW-NEPJUHHUSA-N -1 0 369.399 -0.774 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc(Cn2cncn2)c1 ZINC001329031579 849676160 /nfs/dbraw/zinc/67/61/60/849676160.db2.gz GAFKRZPPIIONDB-UHFFFAOYSA-N -1 0 351.388 -0.478 20 0 FBADRM Cc1nc(Cn2cc(C(=O)[N-]S(=O)(=O)C3(C(F)F)CC3)nn2)no1 ZINC001329032371 849676294 /nfs/dbraw/zinc/67/62/94/849676294.db2.gz IGJYICANUNYKMF-UHFFFAOYSA-N -1 0 362.318 -0.125 20 0 FBADRM COc1cc(OC)c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1C=O ZINC001329033315 849677374 /nfs/dbraw/zinc/67/73/74/849677374.db2.gz NFVWEWPQPLNQPA-UHFFFAOYSA-N -1 0 358.372 -0.288 20 0 FBADRM CN(OCC(F)(F)F)C(=O)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001329035451 849677447 /nfs/dbraw/zinc/67/74/47/849677447.db2.gz FAQHLWGCEKNNLQ-UHFFFAOYSA-N -1 0 362.268 -0.860 20 0 FBADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)n1 ZINC001329038596 849678595 /nfs/dbraw/zinc/67/85/95/849678595.db2.gz IBAQCYFAFZHGJS-JTQLQIEISA-N -1 0 370.391 -0.200 20 0 FBADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)n1 ZINC001329038597 849678230 /nfs/dbraw/zinc/67/82/30/849678230.db2.gz IBAQCYFAFZHGJS-SNVBAGLBSA-N -1 0 370.391 -0.200 20 0 FBADRM COCCCCS(=O)(=O)[N-]C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC001329052597 849680168 /nfs/dbraw/zinc/68/01/68/849680168.db2.gz ATCFQZDZDVNXTC-UHFFFAOYSA-N -1 0 370.493 -0.079 20 0 FBADRM CCN(C1CCCCC1)S(=O)(=O)[N-]C(=O)Cn1nc(C)n(C)c1=O ZINC001329055248 849680999 /nfs/dbraw/zinc/68/09/99/849680999.db2.gz NRNHDFLHZVITOU-UHFFFAOYSA-N -1 0 359.452 -0.094 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC001329056362 849681016 /nfs/dbraw/zinc/68/10/16/849681016.db2.gz VYBHVSHQGDGJSR-UHFFFAOYSA-N -1 0 355.482 -0.249 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@@H]2CCCN(C(N)=O)C2)cn1 ZINC001329059557 849681756 /nfs/dbraw/zinc/68/17/56/849681756.db2.gz GJCHHHSSKOWSQI-JTQLQIEISA-N -1 0 355.420 -0.026 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@H]2CCCN(C(N)=O)C2)cn1 ZINC001329059568 849681420 /nfs/dbraw/zinc/68/14/20/849681420.db2.gz GJCHHHSSKOWSQI-SNVBAGLBSA-N -1 0 355.420 -0.026 20 0 FBADRM Cc1n[nH]c(=O)c(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1C ZINC001329060443 849681517 /nfs/dbraw/zinc/68/15/17/849681517.db2.gz KQHVZESFFMDARR-GZMMTYOYSA-N -1 0 350.375 -0.016 20 0 FBADRM Cc1n[nH]c(=O)c(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c1C ZINC001329060446 849681798 /nfs/dbraw/zinc/68/17/98/849681798.db2.gz KQHVZESFFMDARR-KCJUWKMLSA-N -1 0 350.375 -0.016 20 0 FBADRM Cc1n[nH]c(=O)c(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1C ZINC001329060448 849681588 /nfs/dbraw/zinc/68/15/88/849681588.db2.gz KQHVZESFFMDARR-KWQFWETISA-N -1 0 350.375 -0.016 20 0 FBADRM Cc1n[nH]c(=O)c(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1C ZINC001329060452 849681609 /nfs/dbraw/zinc/68/16/09/849681609.db2.gz KQHVZESFFMDARR-LDYMZIIASA-N -1 0 350.375 -0.016 20 0 FBADRM O=C(NN1CCOC1=O)c1cccc(C(=O)NN2CCOC2=O)c1[O-] ZINC001329085531 849684060 /nfs/dbraw/zinc/68/40/60/849684060.db2.gz CPQIFPRDNHAAQD-UHFFFAOYSA-N -1 0 350.287 -0.414 20 0 FBADRM CS(=O)(=O)N1CCC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1 ZINC001329095805 849685006 /nfs/dbraw/zinc/68/50/06/849685006.db2.gz PNSWKJBWRNRGGL-SECBINFHSA-N -1 0 355.363 -0.086 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC001329098960 849685723 /nfs/dbraw/zinc/68/57/23/849685723.db2.gz MFQJOOVOEQJEDW-UHFFFAOYSA-N -1 0 358.301 -0.727 20 0 FBADRM Cn1nccc1[C@@H](NC(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001329099819 849685901 /nfs/dbraw/zinc/68/59/01/849685901.db2.gz OOSYYRMHELJGIH-CYBMUJFWSA-N -1 0 358.420 -0.276 20 0 FBADRM Cn1nccc1[C@H](NC(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001329099820 849685860 /nfs/dbraw/zinc/68/58/60/849685860.db2.gz OOSYYRMHELJGIH-ZDUSSCGKSA-N -1 0 358.420 -0.276 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001329100102 849685642 /nfs/dbraw/zinc/68/56/42/849685642.db2.gz PIMLKVDLMVOTMT-CYBMUJFWSA-N -1 0 350.375 -0.774 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001329100103 849685398 /nfs/dbraw/zinc/68/53/98/849685398.db2.gz PIMLKVDLMVOTMT-ZDUSSCGKSA-N -1 0 350.375 -0.774 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2noc3c2COCC3)CC1 ZINC001329108276 849687465 /nfs/dbraw/zinc/68/74/65/849687465.db2.gz WECNTLQPQXVLRV-UHFFFAOYSA-N -1 0 373.387 -0.393 20 0 FBADRM CCn1cc(S(=O)(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)nc1C ZINC001329120058 849689277 /nfs/dbraw/zinc/68/92/77/849689277.db2.gz RBLYKBJISAGXLB-HNNXBMFYSA-N -1 0 372.447 -0.239 20 0 FBADRM CCn1cc(S(=O)(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)nc1C ZINC001329120064 849689201 /nfs/dbraw/zinc/68/92/01/849689201.db2.gz RBLYKBJISAGXLB-OAHLLOKOSA-N -1 0 372.447 -0.239 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(F)(F)F)nn2C)n1 ZINC001329127245 849690620 /nfs/dbraw/zinc/69/06/20/849690620.db2.gz NKBGCFFWLYSQSK-UHFFFAOYSA-N -1 0 367.313 -0.423 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NCCS(=O)(=O)CC(F)(F)F ZINC001329129998 849690731 /nfs/dbraw/zinc/69/07/31/849690731.db2.gz NQMYKNIZZDNZTD-UHFFFAOYSA-N -1 0 352.356 -0.510 20 0 FBADRM O=C([O-])[C@]1(N2CCN(C[C@@H](O)COC[C@H]3CCCO3)CC2)CCOC1 ZINC001329134732 849692587 /nfs/dbraw/zinc/69/25/87/849692587.db2.gz JURMSHBEOXXFOK-INMHGKMJSA-N -1 0 358.435 -0.596 20 0 FBADRM O=C([O-])[C@]1(N2CCN(C[C@H](O)COC[C@H]3CCCO3)CC2)CCOC1 ZINC001329134733 849692063 /nfs/dbraw/zinc/69/20/63/849692063.db2.gz JURMSHBEOXXFOK-UXLLHSPISA-N -1 0 358.435 -0.596 20 0 FBADRM O=C([O-])[C@]1(N2CCN(C[C@@H](O)COC[C@@H]3CCCO3)CC2)CCOC1 ZINC001329134734 849692152 /nfs/dbraw/zinc/69/21/52/849692152.db2.gz JURMSHBEOXXFOK-VYDXJSESSA-N -1 0 358.435 -0.596 20 0 FBADRM O=C([O-])[C@]1(N2CCN(C[C@H](O)COC[C@@H]3CCCO3)CC2)CCOC1 ZINC001329134735 849692614 /nfs/dbraw/zinc/69/26/14/849692614.db2.gz JURMSHBEOXXFOK-ZOBUZTSGSA-N -1 0 358.435 -0.596 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@H]1C[C@@H](O)C1)[N-]c1nncs1 ZINC001329147069 849694472 /nfs/dbraw/zinc/69/44/72/849694472.db2.gz FIYPMJJDYSLORG-DTORHVGOSA-N -1 0 370.478 -0.640 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@H]1C[C@@H](O)C1)[N-]c1ccon1 ZINC001329148460 849695029 /nfs/dbraw/zinc/69/50/29/849695029.db2.gz JQWCXXCKQVCSTO-AOOOYVTPSA-N -1 0 353.422 -0.503 20 0 FBADRM Cc1c([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]2C[C@H]2C)nnn1C ZINC001329149568 849694964 /nfs/dbraw/zinc/69/49/64/849694964.db2.gz QPMUYNLSEVZNQO-MWLCHTKSSA-N -1 0 365.481 -0.027 20 0 FBADRM CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001329150075 849695084 /nfs/dbraw/zinc/69/50/84/849695084.db2.gz TWDKQBXYRNHYGM-MRVPVSSYSA-N -1 0 356.360 -0.681 20 0 FBADRM CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001329150076 849694941 /nfs/dbraw/zinc/69/49/41/849694941.db2.gz TWDKQBXYRNHYGM-QMMMGPOBSA-N -1 0 356.360 -0.681 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001329150443 849695216 /nfs/dbraw/zinc/69/52/16/849695216.db2.gz WKRDTSAQNSWJHJ-BBBLOLIVSA-N -1 0 352.391 -0.720 20 0 FBADRM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001329150444 849695298 /nfs/dbraw/zinc/69/52/98/849695298.db2.gz WKRDTSAQNSWJHJ-KXUCPTDWSA-N -1 0 352.391 -0.720 20 0 FBADRM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001329150445 849694998 /nfs/dbraw/zinc/69/49/98/849694998.db2.gz WKRDTSAQNSWJHJ-OPRDCNLKSA-N -1 0 352.391 -0.720 20 0 FBADRM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001329150446 849695105 /nfs/dbraw/zinc/69/51/05/849695105.db2.gz WKRDTSAQNSWJHJ-UTLUCORTSA-N -1 0 352.391 -0.720 20 0 FBADRM COCc1nocc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC001329159440 849696069 /nfs/dbraw/zinc/69/60/69/849696069.db2.gz ADGGKHLWTJHVDG-UHFFFAOYSA-N -1 0 361.376 -0.319 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](S(C)(=O)=O)CC2)CC[C@@H]1C(=O)[O-] ZINC001329162729 849695733 /nfs/dbraw/zinc/69/57/33/849695733.db2.gz JOMXXCDSNYEPKG-AGIUHOORSA-N -1 0 374.459 -0.019 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](S(C)(=O)=O)CC2)CC[C@H]1C(=O)[O-] ZINC001329162730 849696868 /nfs/dbraw/zinc/69/68/68/849696868.db2.gz JOMXXCDSNYEPKG-FRRDWIJNSA-N -1 0 374.459 -0.019 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)CC[C@H]1C(=O)[O-] ZINC001329162731 849696775 /nfs/dbraw/zinc/69/67/75/849696775.db2.gz JOMXXCDSNYEPKG-JHJVBQTASA-N -1 0 374.459 -0.019 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)CC[C@@H]1C(=O)[O-] ZINC001329162732 849696832 /nfs/dbraw/zinc/69/68/32/849696832.db2.gz JOMXXCDSNYEPKG-UPJWGTAASA-N -1 0 374.459 -0.019 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCC(CS(C)(=O)=O)CC2)CC[C@@H]1C(=O)[O-] ZINC001329162993 849696803 /nfs/dbraw/zinc/69/68/03/849696803.db2.gz MMDWPMRVGHKWHP-AAEUAGOBSA-N -1 0 374.459 -0.161 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(CS(C)(=O)=O)CC2)CC[C@H]1C(=O)[O-] ZINC001329162994 849696652 /nfs/dbraw/zinc/69/66/52/849696652.db2.gz MMDWPMRVGHKWHP-DGCLKSJQSA-N -1 0 374.459 -0.161 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCC(CS(C)(=O)=O)CC2)CC[C@H]1C(=O)[O-] ZINC001329162995 849696895 /nfs/dbraw/zinc/69/68/95/849696895.db2.gz MMDWPMRVGHKWHP-WCQYABFASA-N -1 0 374.459 -0.161 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(CS(C)(=O)=O)CC2)CC[C@@H]1C(=O)[O-] ZINC001329162996 849696805 /nfs/dbraw/zinc/69/68/05/849696805.db2.gz MMDWPMRVGHKWHP-YPMHNXCESA-N -1 0 374.459 -0.161 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](CS(C)(=O)=O)C2)CC[C@H]1C(=O)[O-] ZINC001329163360 849696899 /nfs/dbraw/zinc/69/68/99/849696899.db2.gz RZXFZXZBFGYAQE-GRYCIOLGSA-N -1 0 360.432 -0.551 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)CC[C@H]1C(=O)[O-] ZINC001329163361 849696744 /nfs/dbraw/zinc/69/67/44/849696744.db2.gz RZXFZXZBFGYAQE-IJLUTSLNSA-N -1 0 360.432 -0.551 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)CC[C@@H]1C(=O)[O-] ZINC001329163362 849696851 /nfs/dbraw/zinc/69/68/51/849696851.db2.gz RZXFZXZBFGYAQE-UTUOFQBUSA-N -1 0 360.432 -0.551 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](CS(C)(=O)=O)C2)CC[C@@H]1C(=O)[O-] ZINC001329163363 849696702 /nfs/dbraw/zinc/69/67/02/849696702.db2.gz RZXFZXZBFGYAQE-WOPDTQHZSA-N -1 0 360.432 -0.551 20 0 FBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)[C@H]2CCCS2(=O)=O)cc1 ZINC001329168978 849697814 /nfs/dbraw/zinc/69/78/14/849697814.db2.gz MSWRKRQKZAIHNS-GFCCVEGCSA-N -1 0 354.384 -0.054 20 0 FBADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)[C@@H]2CCCS2(=O)=O)cc1 ZINC001329168980 849698438 /nfs/dbraw/zinc/69/84/38/849698438.db2.gz MSWRKRQKZAIHNS-LBPRGKRZSA-N -1 0 354.384 -0.054 20 0 FBADRM O=C(c1c[n-]n2c1nccc2=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001329173008 849698389 /nfs/dbraw/zinc/69/83/89/849698389.db2.gz RLRNUTZUQLBCFB-UHFFFAOYSA-N -1 0 351.388 -0.727 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)c2cncc(N3CCCC3=O)c2)n[n-]1 ZINC001329183554 849700588 /nfs/dbraw/zinc/70/05/88/849700588.db2.gz LBYAWZBEHJDGLG-UHFFFAOYSA-N -1 0 350.360 -0.018 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC001329193310 849702340 /nfs/dbraw/zinc/70/23/40/849702340.db2.gz ZEYINSZWHJGGST-KOLCDFICSA-N -1 0 374.440 -0.169 20 0 FBADRM O=C([O-])[C@]1(N2CCN(S(=O)(=O)c3cnc4n3CCC4)CC2)CCOC1 ZINC001329205581 849703507 /nfs/dbraw/zinc/70/35/07/849703507.db2.gz AQBVXZSWJFCADZ-HNNXBMFYSA-N -1 0 370.431 -0.621 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(S(=O)(=O)c3cnc4n3CCC4)CC2)CCOC1 ZINC001329205583 849703400 /nfs/dbraw/zinc/70/34/00/849703400.db2.gz AQBVXZSWJFCADZ-OAHLLOKOSA-N -1 0 370.431 -0.621 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001329206742 849703847 /nfs/dbraw/zinc/70/38/47/849703847.db2.gz ABIHCGYTSVYRQS-MXWKQRLJSA-N -1 0 355.434 -0.685 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001329206743 849703526 /nfs/dbraw/zinc/70/35/26/849703526.db2.gz ABIHCGYTSVYRQS-VWYCJHECSA-N -1 0 355.434 -0.685 20 0 FBADRM CCN(CC1CC1)S(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001329207055 849703882 /nfs/dbraw/zinc/70/38/82/849703882.db2.gz NBYBEWHRUINIDS-HNNXBMFYSA-N -1 0 361.464 -0.176 20 0 FBADRM CCN(CC1CC1)S(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001329207057 849703566 /nfs/dbraw/zinc/70/35/66/849703566.db2.gz NBYBEWHRUINIDS-OAHLLOKOSA-N -1 0 361.464 -0.176 20 0 FBADRM Cc1ncc(S(=O)(=O)N[C@H](CCC(=O)[O-])CN2CCOCC2)n1C ZINC001329207395 849703460 /nfs/dbraw/zinc/70/34/60/849703460.db2.gz GVPXTVTZTLZVTE-GFCCVEGCSA-N -1 0 360.436 -0.428 20 0 FBADRM Cc1ncc(S(=O)(=O)N[C@@H](CCC(=O)[O-])CN2CCOCC2)n1C ZINC001329207398 849703555 /nfs/dbraw/zinc/70/35/55/849703555.db2.gz GVPXTVTZTLZVTE-LBPRGKRZSA-N -1 0 360.436 -0.428 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]c1cc(N2CCCS2(=O)=O)ccc1O ZINC001329207601 849703625 /nfs/dbraw/zinc/70/36/25/849703625.db2.gz JSIVRHAVGOQEOX-UHFFFAOYSA-N -1 0 373.416 -0.139 20 0 FBADRM CCOC[C@H](C)CS(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001329208353 849703865 /nfs/dbraw/zinc/70/38/65/849703865.db2.gz VDKMHIQDDMDTIV-DZGCQCFKSA-N -1 0 364.464 -0.150 20 0 FBADRM CCOC[C@@H](C)CS(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001329208355 849703790 /nfs/dbraw/zinc/70/37/90/849703790.db2.gz VDKMHIQDDMDTIV-HIFRSBDPSA-N -1 0 364.464 -0.150 20 0 FBADRM CCOC[C@@H](C)CS(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001329208358 849703818 /nfs/dbraw/zinc/70/38/18/849703818.db2.gz VDKMHIQDDMDTIV-UKRRQHHQSA-N -1 0 364.464 -0.150 20 0 FBADRM CCOC[C@H](C)CS(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001329208360 849703854 /nfs/dbraw/zinc/70/38/54/849703854.db2.gz VDKMHIQDDMDTIV-ZFWWWQNUSA-N -1 0 364.464 -0.150 20 0 FBADRM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001329214833 849705523 /nfs/dbraw/zinc/70/55/23/849705523.db2.gz LANVXAUWPNOZEU-LBPRGKRZSA-N -1 0 372.447 -0.128 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCCCN1C(=O)COc2ccccc21 ZINC001329215188 849705093 /nfs/dbraw/zinc/70/50/93/849705093.db2.gz WJYRZFRAKKVNBY-UHFFFAOYSA-N -1 0 351.359 -0.388 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)no1 ZINC001329215945 849705112 /nfs/dbraw/zinc/70/51/12/849705112.db2.gz GSAMQNFOXHAHBQ-HNNXBMFYSA-N -1 0 352.347 -0.691 20 0 FBADRM Cc1cc(NC(=O)C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)no1 ZINC001329215947 849705104 /nfs/dbraw/zinc/70/51/04/849705104.db2.gz GSAMQNFOXHAHBQ-OAHLLOKOSA-N -1 0 352.347 -0.691 20 0 FBADRM CON(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1nc(C)n(C)n1 ZINC001329219204 849706271 /nfs/dbraw/zinc/70/62/71/849706271.db2.gz FFLHAIPVOBKJGC-UHFFFAOYSA-N -1 0 355.442 -0.532 20 0 FBADRM CC1(NS(=O)(=O)CCCS(=O)(=O)[N-]c2nc3ncccn3n2)CC1 ZINC001329219601 849706450 /nfs/dbraw/zinc/70/64/50/849706450.db2.gz JMQJOQFMNVDSTA-UHFFFAOYSA-N -1 0 374.448 -0.272 20 0 FBADRM CCS(=O)(=O)C1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC001329236098 849708364 /nfs/dbraw/zinc/70/83/64/849708364.db2.gz LNQOLYFFXMIRPH-AAEUAGOBSA-N -1 0 374.459 -0.019 20 0 FBADRM CCS(=O)(=O)C1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC001329236100 849708310 /nfs/dbraw/zinc/70/83/10/849708310.db2.gz LNQOLYFFXMIRPH-DGCLKSJQSA-N -1 0 374.459 -0.019 20 0 FBADRM CCS(=O)(=O)C1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC001329236102 849708258 /nfs/dbraw/zinc/70/82/58/849708258.db2.gz LNQOLYFFXMIRPH-WCQYABFASA-N -1 0 374.459 -0.019 20 0 FBADRM CCS(=O)(=O)C1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC001329236104 849708502 /nfs/dbraw/zinc/70/85/02/849708502.db2.gz LNQOLYFFXMIRPH-YPMHNXCESA-N -1 0 374.459 -0.019 20 0 FBADRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2C[C@@H](O)C2)n1 ZINC001329236545 849708327 /nfs/dbraw/zinc/70/83/27/849708327.db2.gz MPMNRTWQUFILMV-PHIMTYICSA-N -1 0 366.465 -0.758 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC3(COC(=O)N3)CC2)CC[C@H]1C(=O)[O-] ZINC001329237031 849708486 /nfs/dbraw/zinc/70/84/86/849708486.db2.gz PQFFDXJGFCKNIN-GHMZBOCLSA-N -1 0 353.375 -0.343 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC3(COC(=O)N3)CC2)CC[C@@H]1C(=O)[O-] ZINC001329237032 849708293 /nfs/dbraw/zinc/70/82/93/849708293.db2.gz PQFFDXJGFCKNIN-MNOVXSKESA-N -1 0 353.375 -0.343 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCC3(COC(=O)N3)CC2)CC[C@@H]1C(=O)[O-] ZINC001329237033 849708407 /nfs/dbraw/zinc/70/84/07/849708407.db2.gz PQFFDXJGFCKNIN-QWRGUYRKSA-N -1 0 353.375 -0.343 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCC3(COC(=O)N3)CC2)CC[C@H]1C(=O)[O-] ZINC001329237034 849708412 /nfs/dbraw/zinc/70/84/12/849708412.db2.gz PQFFDXJGFCKNIN-WDEREUQCSA-N -1 0 353.375 -0.343 20 0 FBADRM CN1C(=O)C[C@H](C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)[C@H]1c1cccnc1 ZINC001329253655 849711930 /nfs/dbraw/zinc/71/19/30/849711930.db2.gz RFLNMWVGKAJZGK-GXSJLCMTSA-N -1 0 364.387 -0.239 20 0 FBADRM CN1C(=O)C[C@@H](C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)[C@@H]1c1cccnc1 ZINC001329253656 849711909 /nfs/dbraw/zinc/71/19/09/849711909.db2.gz RFLNMWVGKAJZGK-KOLCDFICSA-N -1 0 364.387 -0.239 20 0 FBADRM CN1C(=O)C[C@@H](C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)[C@H]1c1cccnc1 ZINC001329253657 849711517 /nfs/dbraw/zinc/71/15/17/849711517.db2.gz RFLNMWVGKAJZGK-MWLCHTKSSA-N -1 0 364.387 -0.239 20 0 FBADRM CN1C(=O)C[C@H](C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)[C@@H]1c1cccnc1 ZINC001329253658 849711800 /nfs/dbraw/zinc/71/18/00/849711800.db2.gz RFLNMWVGKAJZGK-ONGXEEELSA-N -1 0 364.387 -0.239 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC3(COC(=O)N3)CC2)c1 ZINC001329262088 849712487 /nfs/dbraw/zinc/71/24/87/849712487.db2.gz ZMAJLVSETRSXBP-UHFFFAOYSA-N -1 0 355.372 -0.246 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](C(=O)OC)c1ccnn1C ZINC001329269959 849714310 /nfs/dbraw/zinc/71/43/10/849714310.db2.gz PIXRIDLPDJEVAO-MRVPVSSYSA-N -1 0 374.400 -0.144 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C(=O)OC)c1ccnn1C ZINC001329269960 849714245 /nfs/dbraw/zinc/71/42/45/849714245.db2.gz PIXRIDLPDJEVAO-QMMMGPOBSA-N -1 0 374.400 -0.144 20 0 FBADRM O=C([O-])C[C@@H]1CSCCN1S(=O)(=O)CCCN1CCOCC1 ZINC001329272931 849714111 /nfs/dbraw/zinc/71/41/11/849714111.db2.gz MKQCBJRAXUMNIR-GFCCVEGCSA-N -1 0 352.478 -0.069 20 0 FBADRM O=C([O-])C[C@H]1CSCCN1S(=O)(=O)CCCN1CCOCC1 ZINC001329272932 849713937 /nfs/dbraw/zinc/71/39/37/849713937.db2.gz MKQCBJRAXUMNIR-LBPRGKRZSA-N -1 0 352.478 -0.069 20 0 FBADRM COc1cc(C(=O)[O-])sc1S(=O)(=O)N(C)CCNS(C)(=O)=O ZINC001329273148 849713933 /nfs/dbraw/zinc/71/39/33/849713933.db2.gz OOELBYXGOWHLLC-UHFFFAOYSA-N -1 0 372.446 -0.375 20 0 FBADRM O=C([O-])CN(C1CCOCC1)S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001329277681 849715607 /nfs/dbraw/zinc/71/56/07/849715607.db2.gz QZYZQMLGPFFDNI-LLVKDONJSA-N -1 0 369.461 -0.293 20 0 FBADRM O=C([O-])CN(C1CCOCC1)S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001329277683 849715800 /nfs/dbraw/zinc/71/58/00/849715800.db2.gz QZYZQMLGPFFDNI-NSHDSACASA-N -1 0 369.461 -0.293 20 0 FBADRM O=C([O-])c1cnn(CC(=O)N2CCN(C(=O)N3CCOCC3)CC2)c1 ZINC001329286345 849716664 /nfs/dbraw/zinc/71/66/64/849716664.db2.gz BSMZACSYUFDDQO-UHFFFAOYSA-N -1 0 351.363 -0.822 20 0 FBADRM O=C([O-])[C@]1(N2CCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)CCOC1 ZINC001329288792 849716414 /nfs/dbraw/zinc/71/64/14/849716414.db2.gz QYCNXAZXGHSERI-PXAZEXFGSA-N -1 0 351.403 -0.615 20 0 FBADRM O=C([O-])[C@]1(N2CCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)CC2)CCOC1 ZINC001329288793 849716314 /nfs/dbraw/zinc/71/63/14/849716314.db2.gz QYCNXAZXGHSERI-SJCJKPOMSA-N -1 0 351.403 -0.615 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)CCOC1 ZINC001329288794 849716256 /nfs/dbraw/zinc/71/62/56/849716256.db2.gz QYCNXAZXGHSERI-SJKOYZFVSA-N -1 0 351.403 -0.615 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)CC2)CCOC1 ZINC001329288795 849716178 /nfs/dbraw/zinc/71/61/78/849716178.db2.gz QYCNXAZXGHSERI-YVEFUNNKSA-N -1 0 351.403 -0.615 20 0 FBADRM CS(=O)(=O)C1(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CCC1 ZINC001329288860 849716446 /nfs/dbraw/zinc/71/64/46/849716446.db2.gz SXKIWADRMJUACS-AWEZNQCLSA-N -1 0 360.432 -0.658 20 0 FBADRM CS(=O)(=O)C1(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CCC1 ZINC001329288861 849716192 /nfs/dbraw/zinc/71/61/92/849716192.db2.gz SXKIWADRMJUACS-CQSZACIVSA-N -1 0 360.432 -0.658 20 0 FBADRM O=C([O-])c1cnn(CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)c1 ZINC001329288867 849716467 /nfs/dbraw/zinc/71/64/67/849716467.db2.gz TVABIXAXFIZKGB-UHFFFAOYSA-N -1 0 350.375 -0.321 20 0 FBADRM O=C([O-])COCCNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC001329291301 849716366 /nfs/dbraw/zinc/71/63/66/849716366.db2.gz CDKZNCPZEBNZGF-UHFFFAOYSA-N -1 0 371.415 -0.300 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001329303968 849717719 /nfs/dbraw/zinc/71/77/19/849717719.db2.gz OSIQRMTVTGTAJG-AAEUAGOBSA-N -1 0 369.461 -0.436 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001329303970 849717862 /nfs/dbraw/zinc/71/78/62/849717862.db2.gz OSIQRMTVTGTAJG-DGCLKSJQSA-N -1 0 369.461 -0.436 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001329303971 849717844 /nfs/dbraw/zinc/71/78/44/849717844.db2.gz OSIQRMTVTGTAJG-WCQYABFASA-N -1 0 369.461 -0.436 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001329303973 849717741 /nfs/dbraw/zinc/71/77/41/849717741.db2.gz OSIQRMTVTGTAJG-YPMHNXCESA-N -1 0 369.461 -0.436 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC001329342891 849723804 /nfs/dbraw/zinc/72/38/04/849723804.db2.gz JAPUMFMZOCXVTJ-GMSGAONNSA-N -1 0 364.401 -0.224 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC001329342892 849723896 /nfs/dbraw/zinc/72/38/96/849723896.db2.gz JAPUMFMZOCXVTJ-OIBJUYFYSA-N -1 0 364.401 -0.224 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC001329342893 849723767 /nfs/dbraw/zinc/72/37/67/849723767.db2.gz JAPUMFMZOCXVTJ-XCBNKYQSSA-N -1 0 364.401 -0.224 20 0 FBADRM COC(=O)c1nscc1S(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC001329342894 849723681 /nfs/dbraw/zinc/72/36/81/849723681.db2.gz JAPUMFMZOCXVTJ-XVKPBYJWSA-N -1 0 364.401 -0.224 20 0 FBADRM CS(=O)(=O)Cc1ccc(S(=O)(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])cc1 ZINC001329353904 849726731 /nfs/dbraw/zinc/72/67/31/849726731.db2.gz IBHUXTCAVRZZFU-NEPJUHHUSA-N -1 0 363.413 -0.248 20 0 FBADRM CO[C@H](CS(=O)(=O)[N-]c1ncn(CC(=O)N(C)C)n1)[C@@H]1CCOC1 ZINC001329354513 849726471 /nfs/dbraw/zinc/72/64/71/849726471.db2.gz NLPKZWNTTCLRJK-GHMZBOCLSA-N -1 0 361.424 -0.841 20 0 FBADRM CO[C@@H](CS(=O)(=O)[N-]c1ncn(CC(=O)N(C)C)n1)[C@@H]1CCOC1 ZINC001329354514 849726570 /nfs/dbraw/zinc/72/65/70/849726570.db2.gz NLPKZWNTTCLRJK-MNOVXSKESA-N -1 0 361.424 -0.841 20 0 FBADRM CO[C@@H](CS(=O)(=O)[N-]c1ncn(CC(=O)N(C)C)n1)[C@H]1CCOC1 ZINC001329354515 849726189 /nfs/dbraw/zinc/72/61/89/849726189.db2.gz NLPKZWNTTCLRJK-QWRGUYRKSA-N -1 0 361.424 -0.841 20 0 FBADRM CO[C@H](CS(=O)(=O)[N-]c1ncn(CC(=O)N(C)C)n1)[C@H]1CCOC1 ZINC001329354516 849726197 /nfs/dbraw/zinc/72/61/97/849726197.db2.gz NLPKZWNTTCLRJK-WDEREUQCSA-N -1 0 361.424 -0.841 20 0 FBADRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)CN2CC(=O)N(C)C2=O)cc1 ZINC001329378600 849730910 /nfs/dbraw/zinc/73/09/10/849730910.db2.gz DAMAWWRELAGSCE-UHFFFAOYSA-N -1 0 368.371 -0.656 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC001329387805 849732585 /nfs/dbraw/zinc/73/25/85/849732585.db2.gz BCXKIRJKTNSRGO-JTQLQIEISA-N -1 0 374.440 -0.252 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC001329387807 849732430 /nfs/dbraw/zinc/73/24/30/849732430.db2.gz BCXKIRJKTNSRGO-SNVBAGLBSA-N -1 0 374.440 -0.252 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc2c(c1)NC(=O)CN2C ZINC001329391814 849733505 /nfs/dbraw/zinc/73/35/05/849733505.db2.gz DEOBWAKDGRMDHV-SSDOTTSWSA-N -1 0 356.360 -0.909 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc2c(c1)NC(=O)CN2C ZINC001329391816 849733645 /nfs/dbraw/zinc/73/36/45/849733645.db2.gz DEOBWAKDGRMDHV-ZETCQYMHSA-N -1 0 356.360 -0.909 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1ccccn1)c1cn(C[C@H]2CCOC2)nn1 ZINC001329392247 849733598 /nfs/dbraw/zinc/73/35/98/849733598.db2.gz IDTWASQNRDLFAP-LLVKDONJSA-N -1 0 351.388 -0.031 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1ccccn1)c1cn(C[C@@H]2CCOC2)nn1 ZINC001329392249 849733551 /nfs/dbraw/zinc/73/35/51/849733551.db2.gz IDTWASQNRDLFAP-NSHDSACASA-N -1 0 351.388 -0.031 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1cccnc1)c1cn(C[C@H]2CCOC2)nn1 ZINC001329393846 849733431 /nfs/dbraw/zinc/73/34/31/849733431.db2.gz UQPCLWBFFFLIIZ-GFCCVEGCSA-N -1 0 351.388 -0.031 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1cccnc1)c1cn(C[C@@H]2CCOC2)nn1 ZINC001329393847 849733402 /nfs/dbraw/zinc/73/34/02/849733402.db2.gz UQPCLWBFFFLIIZ-LBPRGKRZSA-N -1 0 351.388 -0.031 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)c(C(F)(F)F)n1 ZINC001329401819 849734393 /nfs/dbraw/zinc/73/43/93/849734393.db2.gz ATRJHCSGWOJPRX-RITPCOANSA-N -1 0 370.309 -0.723 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001329402182 849734264 /nfs/dbraw/zinc/73/42/64/849734264.db2.gz FANUFPZPDPERBN-JTQLQIEISA-N -1 0 362.408 -0.964 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001329402183 849734431 /nfs/dbraw/zinc/73/44/31/849734431.db2.gz FANUFPZPDPERBN-SNVBAGLBSA-N -1 0 362.408 -0.964 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCCC3)CO1 ZINC001329402218 849734035 /nfs/dbraw/zinc/73/40/35/849734035.db2.gz FYVOGNPBPLQYNP-LLVKDONJSA-N -1 0 372.447 -0.215 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCCC3)CO1 ZINC001329402219 849734938 /nfs/dbraw/zinc/73/49/38/849734938.db2.gz FYVOGNPBPLQYNP-NSHDSACASA-N -1 0 372.447 -0.215 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)cn1 ZINC001329402526 849735065 /nfs/dbraw/zinc/73/50/65/849735065.db2.gz JMUYZPSXSAYRNE-NJBDSQKTSA-N -1 0 355.372 -0.913 20 0 FBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)O1 ZINC001329402928 849734803 /nfs/dbraw/zinc/73/48/03/849734803.db2.gz NEBGYZXVNBWZBA-JLLWLGSASA-N -1 0 373.387 -0.630 20 0 FBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)O1 ZINC001329402929 849734851 /nfs/dbraw/zinc/73/48/51/849734851.db2.gz NEBGYZXVNBWZBA-WCQGTBRESA-N -1 0 373.387 -0.630 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)CC1 ZINC001329402970 849734952 /nfs/dbraw/zinc/73/49/52/849734952.db2.gz ORRDSSQYWOLIFP-UHFFFAOYSA-N -1 0 360.404 -0.098 20 0 FBADRM C[C@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCS(=O)(=O)C1 ZINC001329408620 849735566 /nfs/dbraw/zinc/73/55/66/849735566.db2.gz HGILFCXINUKERI-JTQLQIEISA-N -1 0 361.445 -0.040 20 0 FBADRM C[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCS(=O)(=O)C1 ZINC001329408621 849735617 /nfs/dbraw/zinc/73/56/17/849735617.db2.gz HGILFCXINUKERI-SNVBAGLBSA-N -1 0 361.445 -0.040 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)Cc1ccn(C)n1 ZINC001329411456 849735628 /nfs/dbraw/zinc/73/56/28/849735628.db2.gz SBBGZCYQBYJLHW-UHFFFAOYSA-N -1 0 351.388 -0.436 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC001329414830 849735900 /nfs/dbraw/zinc/73/59/00/849735900.db2.gz VAWSMZHXEAAYRU-NEPJUHHUSA-N -1 0 352.366 0.000 20 0 FBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC001329414832 849736063 /nfs/dbraw/zinc/73/60/63/849736063.db2.gz VAWSMZHXEAAYRU-NWDGAFQWSA-N -1 0 352.366 0.000 20 0 FBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC001329414834 849735718 /nfs/dbraw/zinc/73/57/18/849735718.db2.gz VAWSMZHXEAAYRU-RYUDHWBXSA-N -1 0 352.366 0.000 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC001329414836 849736073 /nfs/dbraw/zinc/73/60/73/849736073.db2.gz VAWSMZHXEAAYRU-VXGBXAGGSA-N -1 0 352.366 0.000 20 0 FBADRM Cn1nc(C2CC2)nc1CC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC001329421019 849737436 /nfs/dbraw/zinc/73/74/36/849737436.db2.gz YTCGWQMMSDRZHS-UHFFFAOYSA-N -1 0 366.403 -0.281 20 0 FBADRM CC(C)(O)C1CN(C(=O)C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)C1 ZINC001329424689 849738647 /nfs/dbraw/zinc/73/86/47/849738647.db2.gz TUSZXKGLLNBKON-AWEZNQCLSA-N -1 0 365.352 -0.115 20 0 FBADRM CC(C)(O)C1CN(C(=O)C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)C1 ZINC001329424690 849738049 /nfs/dbraw/zinc/73/80/49/849738049.db2.gz TUSZXKGLLNBKON-CQSZACIVSA-N -1 0 365.352 -0.115 20 0 FBADRM COc1cc(NC(=O)C(=O)N(CCC(=O)[O-])C2CCOCC2)nn1C ZINC001329426535 849738683 /nfs/dbraw/zinc/73/86/83/849738683.db2.gz HEAJXIVZXYKAKI-UHFFFAOYSA-N -1 0 354.363 -0.151 20 0 FBADRM Cn1nccc1[C@H](NC(=O)C(=O)Nc1ccn(CC(F)F)n1)C(=O)[O-] ZINC001329428659 849739526 /nfs/dbraw/zinc/73/95/26/849739526.db2.gz UGUAFDBHQNGUOL-JTQLQIEISA-N -1 0 356.289 -0.238 20 0 FBADRM Cn1nccc1[C@@H](NC(=O)C(=O)Nc1ccn(CC(F)F)n1)C(=O)[O-] ZINC001329428661 849739497 /nfs/dbraw/zinc/73/94/97/849739497.db2.gz UGUAFDBHQNGUOL-SNVBAGLBSA-N -1 0 356.289 -0.238 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)NCCCCn2ccnc2)CCOCC1 ZINC001329466428 849750015 /nfs/dbraw/zinc/75/00/15/849750015.db2.gz BYZNHNMPSFAXHF-UHFFFAOYSA-N -1 0 352.391 -0.223 20 0 FBADRM CC(C)C(=O)NCCCNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001329466835 849749633 /nfs/dbraw/zinc/74/96/33/849749633.db2.gz DRDYFFIMZVBHEF-UHFFFAOYSA-N -1 0 357.407 -0.738 20 0 FBADRM C[C@H](CN1CCCC1=O)NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001329469427 849750959 /nfs/dbraw/zinc/75/09/59/849750959.db2.gz OOYWJEDMPUZWQZ-LLVKDONJSA-N -1 0 355.391 -0.889 20 0 FBADRM C[C@@H](CN1CCCC1=O)NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001329469428 849751268 /nfs/dbraw/zinc/75/12/68/849751268.db2.gz OOYWJEDMPUZWQZ-NSHDSACASA-N -1 0 355.391 -0.889 20 0 FBADRM COCCc1noc(CN(C)C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC001329470733 849750990 /nfs/dbraw/zinc/75/09/90/849750990.db2.gz SQFQUNYMGOQDMK-VHSXEESVSA-N -1 0 354.363 -0.414 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC001329471959 849751079 /nfs/dbraw/zinc/75/10/79/849751079.db2.gz YYRBEEUUWACTMD-UHFFFAOYSA-N -1 0 351.359 -0.019 20 0 FBADRM C[C@H](CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001329476207 849752015 /nfs/dbraw/zinc/75/20/15/849752015.db2.gz YJCOEOSYXFMUTH-QNSHHTMESA-N -1 0 367.328 -0.207 20 0 FBADRM C[C@@H](CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)N(C)Cc1n[nH]c(=O)[n-]1 ZINC001329476210 849752033 /nfs/dbraw/zinc/75/20/33/849752033.db2.gz YJCOEOSYXFMUTH-SFGNSQDASA-N -1 0 367.328 -0.207 20 0 FBADRM Cn1cncc1[C@@H]1CN(C(=O)N2CCS(=O)(=O)CC2)C[C@H]1C(=O)[O-] ZINC001329480534 849752669 /nfs/dbraw/zinc/75/26/69/849752669.db2.gz GUAGQYZOKWHZSL-GHMZBOCLSA-N -1 0 356.404 -0.630 20 0 FBADRM Cn1nccc1[C@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC001329484256 849753781 /nfs/dbraw/zinc/75/37/81/849753781.db2.gz OYZZVMCVEXZGOL-JTQLQIEISA-N -1 0 367.449 -0.322 20 0 FBADRM Cn1nccc1[C@@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-] ZINC001329484257 849753522 /nfs/dbraw/zinc/75/35/22/849753522.db2.gz OYZZVMCVEXZGOL-SNVBAGLBSA-N -1 0 367.449 -0.322 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCCC2)NCC1(C(=O)[O-])CCOCC1 ZINC001329485290 849753675 /nfs/dbraw/zinc/75/36/75/849753675.db2.gz ZBGSUMVJVLWTKF-UHFFFAOYSA-N -1 0 352.391 -0.231 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)cn1 ZINC001329485855 849753597 /nfs/dbraw/zinc/75/35/97/849753597.db2.gz GGSREHNQRIUGQV-QWRGUYRKSA-N -1 0 354.388 -0.817 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)C2CCN(OC)CC2)C1 ZINC001329510078 849758721 /nfs/dbraw/zinc/75/87/21/849758721.db2.gz RRAFRYLNUYXBLY-INIZCTEOSA-N -1 0 357.407 -0.580 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)C2CCN(OC)CC2)C1 ZINC001329510080 849758889 /nfs/dbraw/zinc/75/88/89/849758889.db2.gz RRAFRYLNUYXBLY-MRXNPFEDSA-N -1 0 357.407 -0.580 20 0 FBADRM CN(C)C(=O)Cn1cnc([N-]C(=O)c2ccc(S(=O)(=O)N(C)C)o2)n1 ZINC001329534359 849761639 /nfs/dbraw/zinc/76/16/39/849761639.db2.gz NOHXAZIKWAOABD-UHFFFAOYSA-N -1 0 370.391 -0.538 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1c(C)cc(C)nc1OC ZINC001329540854 849763117 /nfs/dbraw/zinc/76/31/17/849763117.db2.gz QJYYGVJFCMTMPT-UHFFFAOYSA-N -1 0 352.391 -0.151 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)NC[C@@H]2CCCO2)C1 ZINC001329547621 849764838 /nfs/dbraw/zinc/76/48/38/849764838.db2.gz DVSAUSAWFRNAED-TVQRCGJNSA-N -1 0 351.325 -0.049 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)NC[C@@H]2CCCO2)C1 ZINC001329547622 849765022 /nfs/dbraw/zinc/76/50/22/849765022.db2.gz DVSAUSAWFRNAED-ZANVPECISA-N -1 0 351.325 -0.049 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCC(=O)N1 ZINC001329571609 849769452 /nfs/dbraw/zinc/76/94/52/849769452.db2.gz PLNYMVYGCQUQKK-JTQLQIEISA-N -1 0 368.415 -0.353 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCC(=O)N1 ZINC001329571612 849769521 /nfs/dbraw/zinc/76/95/21/849769521.db2.gz PLNYMVYGCQUQKK-SNVBAGLBSA-N -1 0 368.415 -0.353 20 0 FBADRM CCn1ncn([N-]C(=O)c2c(Br)nc3n2CCOC3)c1=O ZINC001329572814 849769888 /nfs/dbraw/zinc/76/98/88/849769888.db2.gz DZNDPMBKTRCSCB-UHFFFAOYSA-N -1 0 357.168 -0.062 20 0 FBADRM O=C([O-])C1(O)CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001329580150 849771003 /nfs/dbraw/zinc/77/10/03/849771003.db2.gz WERMQQFKZBTTFC-UHFFFAOYSA-N -1 0 371.415 -0.482 20 0 FBADRM C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)C[C@@H](C(=O)[O-])O1 ZINC001329589321 849771960 /nfs/dbraw/zinc/77/19/60/849771960.db2.gz NVBGCHLNKWCMMD-YPMHNXCESA-N -1 0 371.415 -0.219 20 0 FBADRM O=C([O-])[C@H](C[C@@H]1CCCOC1)NS(=O)(=O)CCCN1CCOCC1 ZINC001329591275 849772164 /nfs/dbraw/zinc/77/21/64/849772164.db2.gz ZWIOTXBTLUKPAW-KBPBESRZSA-N -1 0 364.464 -0.102 20 0 FBADRM O=C([O-])[C@H](C[C@H]1CCCOC1)NS(=O)(=O)CCCN1CCOCC1 ZINC001329591276 849771797 /nfs/dbraw/zinc/77/17/97/849771797.db2.gz ZWIOTXBTLUKPAW-KGLIPLIRSA-N -1 0 364.464 -0.102 20 0 FBADRM O=C([O-])[C@@H](C[C@@H]1CCCOC1)NS(=O)(=O)CCCN1CCOCC1 ZINC001329591277 849772204 /nfs/dbraw/zinc/77/22/04/849772204.db2.gz ZWIOTXBTLUKPAW-UONOGXRCSA-N -1 0 364.464 -0.102 20 0 FBADRM O=C([O-])[C@@H](C[C@H]1CCCOC1)NS(=O)(=O)CCCN1CCOCC1 ZINC001329591278 849772153 /nfs/dbraw/zinc/77/21/53/849772153.db2.gz ZWIOTXBTLUKPAW-ZIAGYGMSSA-N -1 0 364.464 -0.102 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC001329602131 849773882 /nfs/dbraw/zinc/77/38/82/849773882.db2.gz ARNIZHIHTKRFEO-LLVKDONJSA-N -1 0 373.431 -0.098 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC001329602132 849774038 /nfs/dbraw/zinc/77/40/38/849774038.db2.gz ARNIZHIHTKRFEO-NSHDSACASA-N -1 0 373.431 -0.098 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](Cn1cc(Cl)cn1)C(=O)[O-] ZINC001329604256 849773848 /nfs/dbraw/zinc/77/38/48/849773848.db2.gz NXJPKBUUYMTRCF-APPZFPTMSA-N -1 0 352.800 -0.614 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](Cn1cc(Cl)cn1)C(=O)[O-] ZINC001329604258 849773820 /nfs/dbraw/zinc/77/38/20/849773820.db2.gz NXJPKBUUYMTRCF-CBAPKCEASA-N -1 0 352.800 -0.614 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@H](Cn1cc(Cl)cn1)C(=O)[O-] ZINC001329604259 849774252 /nfs/dbraw/zinc/77/42/52/849774252.db2.gz NXJPKBUUYMTRCF-IONNQARKSA-N -1 0 352.800 -0.614 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H](Cn1cc(Cl)cn1)C(=O)[O-] ZINC001329604261 849773945 /nfs/dbraw/zinc/77/39/45/849773945.db2.gz NXJPKBUUYMTRCF-VXNVDRBHSA-N -1 0 352.800 -0.614 20 0 FBADRM CC[C@H](C(=O)[O-])N(C)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001329605504 849775186 /nfs/dbraw/zinc/77/51/86/849775186.db2.gz XTWNMJJHAADGSO-CHWSQXEVSA-N -1 0 361.464 -0.887 20 0 FBADRM CC[C@@H](C(=O)[O-])N(C)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001329605505 849774741 /nfs/dbraw/zinc/77/47/41/849774741.db2.gz XTWNMJJHAADGSO-OLZOCXBDSA-N -1 0 361.464 -0.887 20 0 FBADRM CC[C@H](C(=O)[O-])N(C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001329605506 849774936 /nfs/dbraw/zinc/77/49/36/849774936.db2.gz XTWNMJJHAADGSO-QWHCGFSZSA-N -1 0 361.464 -0.887 20 0 FBADRM CC[C@@H](C(=O)[O-])N(C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001329605507 849775273 /nfs/dbraw/zinc/77/52/73/849775273.db2.gz XTWNMJJHAADGSO-STQMWFEESA-N -1 0 361.464 -0.887 20 0 FBADRM Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)N[C@H]2CCNC2=O)cn1 ZINC001329607333 849774539 /nfs/dbraw/zinc/77/45/39/849774539.db2.gz YNQKBUJIWRVLQE-VIFPVBQESA-N -1 0 369.428 -0.099 20 0 FBADRM CNC(=O)NC1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC001329609637 849775748 /nfs/dbraw/zinc/77/57/48/849775748.db2.gz RCYPPXVQGAEDNQ-CMPLNLGQSA-N -1 0 354.407 -0.524 20 0 FBADRM CNC(=O)NC1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC001329609638 849776039 /nfs/dbraw/zinc/77/60/39/849776039.db2.gz RCYPPXVQGAEDNQ-JQWIXIFHSA-N -1 0 354.407 -0.524 20 0 FBADRM CNC(=O)NC1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC001329609639 849775762 /nfs/dbraw/zinc/77/57/62/849775762.db2.gz RCYPPXVQGAEDNQ-PWSUYJOCSA-N -1 0 354.407 -0.524 20 0 FBADRM CNC(=O)NC1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC001329609640 849775940 /nfs/dbraw/zinc/77/59/40/849775940.db2.gz RCYPPXVQGAEDNQ-ZYHUDNBSSA-N -1 0 354.407 -0.524 20 0 FBADRM CS(=O)(=O)Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC001329615558 849776647 /nfs/dbraw/zinc/77/66/47/849776647.db2.gz GAJOEAWCAPYGOY-PWSUYJOCSA-N -1 0 363.413 -0.560 20 0 FBADRM CC(=O)C[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1)C(=O)[O-] ZINC001329615583 849777030 /nfs/dbraw/zinc/77/70/30/849777030.db2.gz GZSCJJLOILOYFH-GFCCVEGCSA-N -1 0 357.388 -0.039 20 0 FBADRM CC(=O)C[C@H](NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1)C(=O)[O-] ZINC001329615584 849777063 /nfs/dbraw/zinc/77/70/63/849777063.db2.gz GZSCJJLOILOYFH-LBPRGKRZSA-N -1 0 357.388 -0.039 20 0 FBADRM CCOC1(CS(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])CCOCC1 ZINC001329615826 849777174 /nfs/dbraw/zinc/77/71/74/849777174.db2.gz IEKMSFSOFSPPGV-GFCCVEGCSA-N -1 0 361.420 -0.090 20 0 FBADRM CCOC1(CS(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])CCOCC1 ZINC001329615827 849776680 /nfs/dbraw/zinc/77/66/80/849776680.db2.gz IEKMSFSOFSPPGV-LBPRGKRZSA-N -1 0 361.420 -0.090 20 0 FBADRM CCc1nc(CNS(=O)(=O)CCS(C)(=O)=O)ccc1C(=O)[O-] ZINC001329615878 849777164 /nfs/dbraw/zinc/77/71/64/849777164.db2.gz JTXJIEBJCDANNM-UHFFFAOYSA-N -1 0 350.418 -0.194 20 0 FBADRM O=C([O-])CCN1CCN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1 ZINC001329616226 849777093 /nfs/dbraw/zinc/77/70/93/849777093.db2.gz LTMSYMGORSNGKG-UHFFFAOYSA-N -1 0 373.475 -0.191 20 0 FBADRM Cc1nn(C)c(C)c1[C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC001329616640 849777940 /nfs/dbraw/zinc/77/79/40/849777940.db2.gz QGNURLKOGJDDPM-JTQLQIEISA-N -1 0 353.422 -0.873 20 0 FBADRM Cc1nn(C)c(C)c1[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC001329616642 849778022 /nfs/dbraw/zinc/77/80/22/849778022.db2.gz QGNURLKOGJDDPM-SNVBAGLBSA-N -1 0 353.422 -0.873 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)c[nH]1 ZINC001329616851 849778067 /nfs/dbraw/zinc/77/80/67/849778067.db2.gz SWKGBIFNMQQHND-UHFFFAOYSA-N -1 0 372.403 -0.529 20 0 FBADRM NS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)C1 ZINC001329627886 849778952 /nfs/dbraw/zinc/77/89/52/849778952.db2.gz DTXXZZUQNINDJR-MRVPVSSYSA-N -1 0 369.321 -0.039 20 0 FBADRM NS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)C1 ZINC001329627887 849778925 /nfs/dbraw/zinc/77/89/25/849778925.db2.gz DTXXZZUQNINDJR-QMMMGPOBSA-N -1 0 369.321 -0.039 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)C(C)(C)CNC(C)=O ZINC001329635628 849780417 /nfs/dbraw/zinc/78/04/17/849780417.db2.gz IMAJXXQGRSPNQO-UHFFFAOYSA-N -1 0 363.417 -0.103 20 0 FBADRM CCO[N-]C(=O)CNC(=O)N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC001329636971 849780853 /nfs/dbraw/zinc/78/08/53/849780853.db2.gz QPCIMMBXYBHNOS-UHFFFAOYSA-N -1 0 353.379 -0.045 20 0 FBADRM CNC(=O)NC[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCO1 ZINC001329644254 849781833 /nfs/dbraw/zinc/78/18/33/849781833.db2.gz GXCAXVYXRRHUDC-LLVKDONJSA-N -1 0 371.419 -0.777 20 0 FBADRM CNC(=O)NC[C@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCO1 ZINC001329644256 849781624 /nfs/dbraw/zinc/78/16/24/849781624.db2.gz GXCAXVYXRRHUDC-NSHDSACASA-N -1 0 371.419 -0.777 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CC1 ZINC001329645508 849782683 /nfs/dbraw/zinc/78/26/83/849782683.db2.gz UMRRJQSZHRUCPK-LLVKDONJSA-N -1 0 373.435 -0.181 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CC1 ZINC001329645509 849782633 /nfs/dbraw/zinc/78/26/33/849782633.db2.gz UMRRJQSZHRUCPK-NSHDSACASA-N -1 0 373.435 -0.181 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)CC3(C(=O)[O-])CCOCC3)C2=O)cn1 ZINC001329655962 849784830 /nfs/dbraw/zinc/78/48/30/849784830.db2.gz IIVOCZPCBBOIJX-GFCCVEGCSA-N -1 0 350.375 -0.087 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)CC3(C(=O)[O-])CCOCC3)C2=O)cn1 ZINC001329655963 849784802 /nfs/dbraw/zinc/78/48/02/849784802.db2.gz IIVOCZPCBBOIJX-LBPRGKRZSA-N -1 0 350.375 -0.087 20 0 FBADRM O=C([O-])[C@]1(N2CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)CC2)CCOC1 ZINC001329657913 849785849 /nfs/dbraw/zinc/78/58/49/849785849.db2.gz XGBWEMFGWQNZBX-DOMZBBRYSA-N -1 0 360.432 -0.801 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)CC2)CCOC1 ZINC001329657914 849786367 /nfs/dbraw/zinc/78/63/67/849786367.db2.gz XGBWEMFGWQNZBX-IUODEOHRSA-N -1 0 360.432 -0.801 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)CC2)CCOC1 ZINC001329657915 849786026 /nfs/dbraw/zinc/78/60/26/849786026.db2.gz XGBWEMFGWQNZBX-SWLSCSKDSA-N -1 0 360.432 -0.801 20 0 FBADRM O=C([O-])[C@]1(N2CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)CC2)CCOC1 ZINC001329657916 849785921 /nfs/dbraw/zinc/78/59/21/849785921.db2.gz XGBWEMFGWQNZBX-WFASDCNBSA-N -1 0 360.432 -0.801 20 0 FBADRM COCCCn1nc(C(=O)N2C[C@H](OC)C[C@]2(C)C(=O)[O-])ccc1=O ZINC001329658044 849786282 /nfs/dbraw/zinc/78/62/82/849786282.db2.gz ZJRNIYPMWNNVRT-BDJLRTHQSA-N -1 0 353.375 -0.016 20 0 FBADRM COCCCn1nc(C(=O)N2C[C@H](OC)C[C@@]2(C)C(=O)[O-])ccc1=O ZINC001329658045 849786082 /nfs/dbraw/zinc/78/60/82/849786082.db2.gz ZJRNIYPMWNNVRT-BZNIZROVSA-N -1 0 353.375 -0.016 20 0 FBADRM COCCCn1nc(C(=O)N2C[C@@H](OC)C[C@]2(C)C(=O)[O-])ccc1=O ZINC001329658046 849785930 /nfs/dbraw/zinc/78/59/30/849785930.db2.gz ZJRNIYPMWNNVRT-MEDUHNTESA-N -1 0 353.375 -0.016 20 0 FBADRM COCCCn1nc(C(=O)N2C[C@@H](OC)C[C@@]2(C)C(=O)[O-])ccc1=O ZINC001329658047 849786385 /nfs/dbraw/zinc/78/63/85/849786385.db2.gz ZJRNIYPMWNNVRT-ZBEGNZNMSA-N -1 0 353.375 -0.016 20 0 FBADRM COC(=O)CCCS(=O)(=O)N[C@H](Cn1cc(Cl)cn1)C(=O)[O-] ZINC001329671069 849789328 /nfs/dbraw/zinc/78/93/28/849789328.db2.gz CNDMDVYAUXQPGF-SECBINFHSA-N -1 0 353.784 -0.138 20 0 FBADRM COC(=O)CCCS(=O)(=O)N[C@@H](Cn1cc(Cl)cn1)C(=O)[O-] ZINC001329671071 849788894 /nfs/dbraw/zinc/78/88/94/849788894.db2.gz CNDMDVYAUXQPGF-VIFPVBQESA-N -1 0 353.784 -0.138 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)[C@@H]1CCOC1 ZINC001329671523 849789072 /nfs/dbraw/zinc/78/90/72/849789072.db2.gz GTCUQXCGIOCRPV-GHMZBOCLSA-N -1 0 350.393 -0.851 20 0 FBADRM O=C([O-])[C@@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)[C@@H]1CCOC1 ZINC001329671524 849789262 /nfs/dbraw/zinc/78/92/62/849789262.db2.gz GTCUQXCGIOCRPV-MNOVXSKESA-N -1 0 350.393 -0.851 20 0 FBADRM O=C([O-])[C@@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)[C@H]1CCOC1 ZINC001329671525 849788810 /nfs/dbraw/zinc/78/88/10/849788810.db2.gz GTCUQXCGIOCRPV-QWRGUYRKSA-N -1 0 350.393 -0.851 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)[C@H]1CCOC1 ZINC001329671526 849789296 /nfs/dbraw/zinc/78/92/96/849789296.db2.gz GTCUQXCGIOCRPV-WDEREUQCSA-N -1 0 350.393 -0.851 20 0 FBADRM O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)c1cn2c(n1)CCCC2 ZINC001329671644 849789161 /nfs/dbraw/zinc/78/91/61/849789161.db2.gz HCIYZAHAAGTIPR-LLVKDONJSA-N -1 0 358.420 -0.717 20 0 FBADRM O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)c1cn2c(n1)CCCC2 ZINC001329671648 849788868 /nfs/dbraw/zinc/78/88/68/849788868.db2.gz HCIYZAHAAGTIPR-NSHDSACASA-N -1 0 358.420 -0.717 20 0 FBADRM CC(C)(C(=O)[O-])C1(O)CCN(S(=O)(=O)CCS(C)(=O)=O)CC1 ZINC001329672053 849789337 /nfs/dbraw/zinc/78/93/37/849789337.db2.gz JVGICHJCXBDMQM-UHFFFAOYSA-N -1 0 357.450 -0.702 20 0 FBADRM O=C([O-])C1(CNS(=O)(=O)N2CCC3(CC2)OCCO3)CCOCC1 ZINC001329672128 849789921 /nfs/dbraw/zinc/78/99/21/849789921.db2.gz LDPKCZDQLUVTQN-UHFFFAOYSA-N -1 0 364.420 -0.459 20 0 FBADRM Cc1n[nH]c(C)c1S(=O)(=O)N[C@H](CCC(=O)[O-])CN1CCOCC1 ZINC001329673133 849790030 /nfs/dbraw/zinc/79/00/30/849790030.db2.gz UOTAQELHEGKLOO-GFCCVEGCSA-N -1 0 360.436 -0.130 20 0 FBADRM Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H](CCC(=O)[O-])CN1CCOCC1 ZINC001329673135 849789849 /nfs/dbraw/zinc/78/98/49/849789849.db2.gz UOTAQELHEGKLOO-LBPRGKRZSA-N -1 0 360.436 -0.130 20 0 FBADRM NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cnn(CC(F)F)c1 ZINC001329673326 849790295 /nfs/dbraw/zinc/79/02/95/849790295.db2.gz VIZYQIOAMQKLMT-APPZFPTMSA-N -1 0 366.346 -0.513 20 0 FBADRM NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cnn(CC(F)F)c1 ZINC001329673328 849789842 /nfs/dbraw/zinc/78/98/42/849789842.db2.gz VIZYQIOAMQKLMT-CBAPKCEASA-N -1 0 366.346 -0.513 20 0 FBADRM NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cnn(CC(F)F)c1 ZINC001329673329 849789830 /nfs/dbraw/zinc/78/98/30/849789830.db2.gz VIZYQIOAMQKLMT-IONNQARKSA-N -1 0 366.346 -0.513 20 0 FBADRM NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cnn(CC(F)F)c1 ZINC001329673332 849790310 /nfs/dbraw/zinc/79/03/10/849790310.db2.gz VIZYQIOAMQKLMT-VXNVDRBHSA-N -1 0 366.346 -0.513 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(NC(=O)COC)cc1 ZINC001329674397 849789943 /nfs/dbraw/zinc/78/99/43/849789943.db2.gz DCWSBAMAJUFCGX-UHFFFAOYSA-N -1 0 352.347 -0.606 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(CS(C)(=O)=O)c1C ZINC001329676008 849789890 /nfs/dbraw/zinc/78/98/90/849789890.db2.gz URZBYAQLTUIBAJ-UHFFFAOYSA-N -1 0 371.415 -0.338 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)CC)cc1 ZINC001329676568 849790166 /nfs/dbraw/zinc/79/01/66/849790166.db2.gz ZAMAAGGNFMJJBA-UHFFFAOYSA-N -1 0 357.388 -0.397 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC001329676589 849790062 /nfs/dbraw/zinc/79/00/62/849790062.db2.gz ZJCVHVGSWCPXKA-UHFFFAOYSA-N -1 0 352.376 -0.334 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)NC[C@@H](CCC(=O)[O-])C(F)(F)F ZINC001329677663 849791653 /nfs/dbraw/zinc/79/16/53/849791653.db2.gz BDEDRCCENOXKLJ-SSDOTTSWSA-N -1 0 355.356 -0.006 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)NC[C@H](CCC(=O)[O-])C(F)(F)F ZINC001329677664 849791103 /nfs/dbraw/zinc/79/11/03/849791103.db2.gz BDEDRCCENOXKLJ-ZETCQYMHSA-N -1 0 355.356 -0.006 20 0 FBADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC001329678393 849791241 /nfs/dbraw/zinc/79/12/41/849791241.db2.gz HYBLTMMUVGSGMT-LBPRGKRZSA-N -1 0 354.384 -0.364 20 0 FBADRM COC1CCN(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@H](c3cncn3C)C2)CC1 ZINC001329678670 849792376 /nfs/dbraw/zinc/79/23/76/849792376.db2.gz KPQLPUNBKJOAFD-STQMWFEESA-N -1 0 372.447 -0.124 20 0 FBADRM C[C@H](CSCCNS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001329678954 849791973 /nfs/dbraw/zinc/79/19/73/849791973.db2.gz NHTSBUFIEYUBGF-SECBINFHSA-N -1 0 359.491 -0.063 20 0 FBADRM C[C@@H](CSCCNS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001329678955 849792097 /nfs/dbraw/zinc/79/20/97/849792097.db2.gz NHTSBUFIEYUBGF-VIFPVBQESA-N -1 0 359.491 -0.063 20 0 FBADRM CO[C@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)[C@@](C)(C(=O)[O-])C1 ZINC001329679309 849792030 /nfs/dbraw/zinc/79/20/30/849792030.db2.gz OYQDNFUJZYGYDL-BXKDBHETSA-N -1 0 355.434 -0.543 20 0 FBADRM CO[C@@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)[C@](C)(C(=O)[O-])C1 ZINC001329679311 849792127 /nfs/dbraw/zinc/79/21/27/849792127.db2.gz OYQDNFUJZYGYDL-CABZTGNLSA-N -1 0 355.434 -0.543 20 0 FBADRM CO[C@@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)[C@@](C)(C(=O)[O-])C1 ZINC001329679312 849792197 /nfs/dbraw/zinc/79/21/97/849792197.db2.gz OYQDNFUJZYGYDL-JOYOIKCWSA-N -1 0 355.434 -0.543 20 0 FBADRM CO[C@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)[C@](C)(C(=O)[O-])C1 ZINC001329679313 849791994 /nfs/dbraw/zinc/79/19/94/849791994.db2.gz OYQDNFUJZYGYDL-SKDRFNHKSA-N -1 0 355.434 -0.543 20 0 FBADRM COCCn1cc(S(=O)(=O)N[C@H](Cc2ncccn2)C(=O)[O-])cn1 ZINC001329679742 849792480 /nfs/dbraw/zinc/79/24/80/849792480.db2.gz RZPQMIYZMKSEEF-LLVKDONJSA-N -1 0 355.376 -0.706 20 0 FBADRM COCCn1cc(S(=O)(=O)N[C@@H](Cc2ncccn2)C(=O)[O-])cn1 ZINC001329679744 849792285 /nfs/dbraw/zinc/79/22/85/849792285.db2.gz RZPQMIYZMKSEEF-NSHDSACASA-N -1 0 355.376 -0.706 20 0 FBADRM CCOC1(CS(=O)(=O)N2CCN(CCC(=O)[O-])CC2)CCOCC1 ZINC001329680820 849792399 /nfs/dbraw/zinc/79/23/99/849792399.db2.gz YLFTUQADWWANQM-UHFFFAOYSA-N -1 0 364.464 -0.006 20 0 FBADRM O=C([O-])c1ccc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)o1 ZINC001329709433 849799864 /nfs/dbraw/zinc/79/98/64/849799864.db2.gz BFAIFQFIHUYHLJ-UHFFFAOYSA-N -1 0 359.404 -0.328 20 0 FBADRM C[S@@](=O)C1(C(=O)NCc2nnn[n-]2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001329721938 849802648 /nfs/dbraw/zinc/80/26/48/849802648.db2.gz CQJJEKNNXVGCSO-RUZDIDTESA-N -1 0 372.451 -0.036 20 0 FBADRM C[S@](=O)C1(C(=O)NCc2nnn[n-]2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001329721940 849802476 /nfs/dbraw/zinc/80/24/76/849802476.db2.gz CQJJEKNNXVGCSO-VWLOTQADSA-N -1 0 372.451 -0.036 20 0 FBADRM CCO[N-]C(=O)CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001329744476 849809073 /nfs/dbraw/zinc/80/90/73/849809073.db2.gz GGTRFOQDGZZBMB-LLVKDONJSA-N -1 0 351.363 -0.639 20 0 FBADRM CCO[N-]C(=O)CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001329744477 849809387 /nfs/dbraw/zinc/80/93/87/849809387.db2.gz GGTRFOQDGZZBMB-NSHDSACASA-N -1 0 351.363 -0.639 20 0 FBADRM COc1ccccc1CO[N-]C(=O)C(=O)NCC1(S(C)(=O)=O)CC1 ZINC001329754296 849811679 /nfs/dbraw/zinc/81/16/79/849811679.db2.gz IIVFJBYVMGUUNG-UHFFFAOYSA-N -1 0 356.400 -0.064 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCNC(=O)c1ccc(Cl)cc1 ZINC001329785643 849820542 /nfs/dbraw/zinc/82/05/42/849820542.db2.gz BDTBRNUWUAUJOG-UHFFFAOYSA-N -1 0 370.793 -0.630 20 0 FBADRM COCC(=O)N(C)CC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001329787229 849820021 /nfs/dbraw/zinc/82/00/21/849820021.db2.gz OHHRHZIUJGUFRE-LLVKDONJSA-N -1 0 355.391 -0.985 20 0 FBADRM COCC(=O)N(C)CC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001329787230 849820582 /nfs/dbraw/zinc/82/05/82/849820582.db2.gz OHHRHZIUJGUFRE-NSHDSACASA-N -1 0 355.391 -0.985 20 0 FBADRM CS(=O)(=O)C1(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)CCC1 ZINC001329787701 849820067 /nfs/dbraw/zinc/82/00/67/849820067.db2.gz QTBCQPKREGFUEI-LLVKDONJSA-N -1 0 372.443 -0.122 20 0 FBADRM CS(=O)(=O)C1(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)CCC1 ZINC001329787702 849820328 /nfs/dbraw/zinc/82/03/28/849820328.db2.gz QTBCQPKREGFUEI-NSHDSACASA-N -1 0 372.443 -0.122 20 0 FBADRM NC(=O)N1CCC[C@H]1C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001329789280 849821326 /nfs/dbraw/zinc/82/13/26/849821326.db2.gz YIBACYMMOBHFBO-JQWIXIFHSA-N -1 0 352.391 -0.546 20 0 FBADRM NC(=O)N1CCC[C@H]1C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001329789282 849821352 /nfs/dbraw/zinc/82/13/52/849821352.db2.gz YIBACYMMOBHFBO-PWSUYJOCSA-N -1 0 352.391 -0.546 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H](C)Oc1ccc(OC)cc1 ZINC001329794556 849822373 /nfs/dbraw/zinc/82/23/73/849822373.db2.gz JVLHWXHHIXITEJ-LLVKDONJSA-N -1 0 353.375 -0.237 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H](C)Oc1ccc(OC)cc1 ZINC001329794557 849822479 /nfs/dbraw/zinc/82/24/79/849822479.db2.gz JVLHWXHHIXITEJ-NSHDSACASA-N -1 0 353.375 -0.237 20 0 FBADRM CCN(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001329805214 849824641 /nfs/dbraw/zinc/82/46/41/849824641.db2.gz BJHXSTUQSLYOOE-SECBINFHSA-N -1 0 353.379 -0.376 20 0 FBADRM CCN(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001329805215 849824542 /nfs/dbraw/zinc/82/45/42/849824542.db2.gz BJHXSTUQSLYOOE-VIFPVBQESA-N -1 0 353.379 -0.376 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CC[C@@H](S(C)(=O)=O)C2)n1 ZINC001329805937 849824316 /nfs/dbraw/zinc/82/43/16/849824316.db2.gz HIOHJWVUJAWGES-SECBINFHSA-N -1 0 372.403 -0.713 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CC[C@H](S(C)(=O)=O)C2)n1 ZINC001329805939 849824820 /nfs/dbraw/zinc/82/48/20/849824820.db2.gz HIOHJWVUJAWGES-VIFPVBQESA-N -1 0 372.403 -0.713 20 0 FBADRM COC[C@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC001329806431 849824203 /nfs/dbraw/zinc/82/42/03/849824203.db2.gz IJZSVMIJWGUQEH-JTQLQIEISA-N -1 0 350.418 -0.150 20 0 FBADRM COC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC001329806432 849824287 /nfs/dbraw/zinc/82/42/87/849824287.db2.gz IJZSVMIJWGUQEH-SNVBAGLBSA-N -1 0 350.418 -0.150 20 0 FBADRM COCCOCCN(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001329806466 849824555 /nfs/dbraw/zinc/82/45/55/849824555.db2.gz JDKQGVIOJJNJQM-UHFFFAOYSA-N -1 0 356.379 -0.237 20 0 FBADRM C[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001329806485 849824941 /nfs/dbraw/zinc/82/49/41/849824941.db2.gz JPMIFUDCTLASEN-SECBINFHSA-N -1 0 372.403 -0.713 20 0 FBADRM C[C@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001329806486 849824297 /nfs/dbraw/zinc/82/42/97/849824297.db2.gz JPMIFUDCTLASEN-VIFPVBQESA-N -1 0 372.403 -0.713 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC001329808166 849825348 /nfs/dbraw/zinc/82/53/48/849825348.db2.gz ACNWGFKUGQMAAO-LLVKDONJSA-N -1 0 357.432 -0.546 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC001329808167 849825763 /nfs/dbraw/zinc/82/57/63/849825763.db2.gz ACNWGFKUGQMAAO-NSHDSACASA-N -1 0 357.432 -0.546 20 0 FBADRM O=C([O-])CC1(NC(=O)CC2(n3cnnn3)CCOCC2)CCOCC1 ZINC001329808236 849825781 /nfs/dbraw/zinc/82/57/81/849825781.db2.gz BHXUDISIHOSSHK-UHFFFAOYSA-N -1 0 353.379 -0.291 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@H]1COCCO1 ZINC001329808341 849825474 /nfs/dbraw/zinc/82/54/74/849825474.db2.gz CCCCEGSBFGOENW-SECBINFHSA-N -1 0 364.401 -0.905 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@@H]1COCCO1 ZINC001329808342 849825410 /nfs/dbraw/zinc/82/54/10/849825410.db2.gz CCCCEGSBFGOENW-VIFPVBQESA-N -1 0 364.401 -0.905 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCCNC(=O)c1ccccc1 ZINC001329809030 849825630 /nfs/dbraw/zinc/82/56/30/849825630.db2.gz ZVIDVQSCMLEBPM-UHFFFAOYSA-N -1 0 350.375 -0.893 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)Cn1ncc2ccccc2c1=O ZINC001329809259 849825732 /nfs/dbraw/zinc/82/57/32/849825732.db2.gz NHSAFBPSFIZWTM-UHFFFAOYSA-N -1 0 369.399 -0.496 20 0 FBADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CCc2cn(C)nn2)CC1 ZINC001329810083 849826610 /nfs/dbraw/zinc/82/66/10/849826610.db2.gz SWODMLQLTGHPNS-UHFFFAOYSA-N -1 0 373.435 -0.185 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)CCc3cn(C)nn3)cc12 ZINC001329810212 849826568 /nfs/dbraw/zinc/82/65/68/849826568.db2.gz VHZSODPFLRVBLG-UHFFFAOYSA-N -1 0 363.403 -0.157 20 0 FBADRM COC(=O)c1ccnc(C(=O)[N-]S(=O)(=O)C2CCN(C(C)=O)CC2)c1 ZINC001329810696 849826722 /nfs/dbraw/zinc/82/67/22/849826722.db2.gz YNTVMSCVJZYYDV-UHFFFAOYSA-N -1 0 369.399 -0.061 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)[C@H]3CCNC(=O)CC3)ccc21 ZINC001329810706 849826301 /nfs/dbraw/zinc/82/63/01/849826301.db2.gz YXJGWKDSXKNWSP-SECBINFHSA-N -1 0 351.388 -0.311 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)[C@@H]3CCNC(=O)CC3)ccc21 ZINC001329810707 849826636 /nfs/dbraw/zinc/82/66/36/849826636.db2.gz YXJGWKDSXKNWSP-VIFPVBQESA-N -1 0 351.388 -0.311 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H](OC)[C@H]2CCOC2)cc1 ZINC001329810716 849826393 /nfs/dbraw/zinc/82/63/93/849826393.db2.gz ZGVJGWUOOBMQMJ-AAEUAGOBSA-N -1 0 356.400 -0.097 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H](OC)[C@@H]2CCOC2)cc1 ZINC001329810717 849826645 /nfs/dbraw/zinc/82/66/45/849826645.db2.gz ZGVJGWUOOBMQMJ-DGCLKSJQSA-N -1 0 356.400 -0.097 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H](OC)[C@H]2CCOC2)cc1 ZINC001329810718 849826549 /nfs/dbraw/zinc/82/65/49/849826549.db2.gz ZGVJGWUOOBMQMJ-WCQYABFASA-N -1 0 356.400 -0.097 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H](OC)[C@@H]2CCOC2)cc1 ZINC001329810719 849826617 /nfs/dbraw/zinc/82/66/17/849826617.db2.gz ZGVJGWUOOBMQMJ-YPMHNXCESA-N -1 0 356.400 -0.097 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(OCC2CC2)nc1 ZINC001329811251 849826631 /nfs/dbraw/zinc/82/66/31/849826631.db2.gz OSMZCLVTQHUMFC-UHFFFAOYSA-N -1 0 350.375 -0.330 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC001329811930 849826432 /nfs/dbraw/zinc/82/64/32/849826432.db2.gz VKGRGAJGOYHBPC-LLVKDONJSA-N -1 0 351.359 -0.483 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC[C@H]1COc2ccccc2O1 ZINC001329811931 849826470 /nfs/dbraw/zinc/82/64/70/849826470.db2.gz VKGRGAJGOYHBPC-NSHDSACASA-N -1 0 351.359 -0.483 20 0 FBADRM CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)n1 ZINC001329819950 849829847 /nfs/dbraw/zinc/82/98/47/849829847.db2.gz HHZGKKVWYMXLDK-UHFFFAOYSA-N -1 0 365.371 -0.163 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)n1 ZINC001329820128 849830011 /nfs/dbraw/zinc/83/00/11/849830011.db2.gz JGWAOIAAUXEPIM-UHFFFAOYSA-N -1 0 351.344 -0.505 20 0 FBADRM Cc1c([C@H](C)NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cnn1C ZINC001329823760 849830250 /nfs/dbraw/zinc/83/02/50/849830250.db2.gz MVMZPFWLRLBGAA-YRXQGLPXSA-N -1 0 350.375 -0.535 20 0 FBADRM Cc1c([C@@H](C)NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cnn1C ZINC001329823761 849830102 /nfs/dbraw/zinc/83/01/02/849830102.db2.gz MVMZPFWLRLBGAA-ZYSBLVPFSA-N -1 0 350.375 -0.535 20 0 FBADRM COCC(=O)NC1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC001329823773 849829594 /nfs/dbraw/zinc/82/95/94/849829594.db2.gz NFGPYKJFHMVBAW-UHFFFAOYSA-N -1 0 355.391 -0.889 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](COC)c1ccc(F)c(F)c1 ZINC001329827707 849831174 /nfs/dbraw/zinc/83/11/74/849831174.db2.gz RURLYXKLMYCEPM-GFCCVEGCSA-N -1 0 359.329 -0.048 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](COC)c1ccc(F)c(F)c1 ZINC001329827708 849831288 /nfs/dbraw/zinc/83/12/88/849831288.db2.gz RURLYXKLMYCEPM-LBPRGKRZSA-N -1 0 359.329 -0.048 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC001329828799 849831066 /nfs/dbraw/zinc/83/10/66/849831066.db2.gz LGVDOJAGLMWODQ-UHFFFAOYSA-N -1 0 354.310 -0.038 20 0 FBADRM CN(CCNS(C)(=O)=O)C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001329853324 849839644 /nfs/dbraw/zinc/83/96/44/849839644.db2.gz DVHJVONWLJUXEU-UHFFFAOYSA-N -1 0 350.422 -0.926 20 0 FBADRM CN(CC(C)(C)S(C)(=O)=O)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001329856223 849840649 /nfs/dbraw/zinc/84/06/49/849840649.db2.gz SUOFQVIGJPMRLD-UHFFFAOYSA-N -1 0 364.445 -0.065 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC001329861907 849841826 /nfs/dbraw/zinc/84/18/26/849841826.db2.gz ABVIGNDXXAAANQ-NEPJUHHUSA-N -1 0 353.375 -0.122 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC001329861908 849842036 /nfs/dbraw/zinc/84/20/36/849842036.db2.gz ABVIGNDXXAAANQ-NWDGAFQWSA-N -1 0 353.375 -0.122 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC001329861909 849842094 /nfs/dbraw/zinc/84/20/94/849842094.db2.gz ABVIGNDXXAAANQ-RYUDHWBXSA-N -1 0 353.375 -0.122 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC001329861910 849841710 /nfs/dbraw/zinc/84/17/10/849841710.db2.gz ABVIGNDXXAAANQ-VXGBXAGGSA-N -1 0 353.375 -0.122 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)CCOc1ccc(OC)cc1 ZINC001329861921 849841757 /nfs/dbraw/zinc/84/17/57/849841757.db2.gz ALKZOXSPPNWXTJ-UHFFFAOYSA-N -1 0 353.375 -0.284 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1nccn1CC(F)(F)F ZINC001329861995 849842320 /nfs/dbraw/zinc/84/23/20/849842320.db2.gz DCCWPADKDMFSBG-UHFFFAOYSA-N -1 0 365.312 -0.412 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1cc(OC)cc(OC)c1 ZINC001329862731 849842185 /nfs/dbraw/zinc/84/21/85/849842185.db2.gz HSYADERNYWQSKD-UHFFFAOYSA-N -1 0 353.375 -0.154 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1ccc([S@](C)=O)cc1 ZINC001329863014 849842371 /nfs/dbraw/zinc/84/23/71/849842371.db2.gz JTVWJFLPBTUNET-DEOSSOPVSA-N -1 0 355.416 -0.434 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001329863015 849841841 /nfs/dbraw/zinc/84/18/41/849841841.db2.gz JTVWJFLPBTUNET-XMMPIXPASA-N -1 0 355.416 -0.434 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(C(=O)c2ccsc2)CC1 ZINC001329863321 849841833 /nfs/dbraw/zinc/84/18/33/849841833.db2.gz MRXRIIOZBWPLLH-UHFFFAOYSA-N -1 0 368.415 -0.784 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001329863654 849841794 /nfs/dbraw/zinc/84/17/94/849841794.db2.gz QZSJEVZWKPAWTG-UHFFFAOYSA-N -1 0 356.423 -0.724 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(c2nc(C)cs2)CC1 ZINC001329863796 849841682 /nfs/dbraw/zinc/84/16/82/849841682.db2.gz SQTDRKLIYACYGN-UHFFFAOYSA-N -1 0 355.420 -0.716 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC001329867504 849843535 /nfs/dbraw/zinc/84/35/35/849843535.db2.gz MPPNDTPMVNDQTL-SECBINFHSA-N -1 0 358.445 -0.057 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCSC[C@H]1c1nccs1 ZINC001329867506 849843587 /nfs/dbraw/zinc/84/35/87/849843587.db2.gz MPPNDTPMVNDQTL-VIFPVBQESA-N -1 0 358.445 -0.057 20 0 FBADRM Cn1c(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)nnc1-c1ccccc1 ZINC001329905049 849851694 /nfs/dbraw/zinc/85/16/94/849851694.db2.gz NIAAGWNIWCLXTL-UHFFFAOYSA-N -1 0 365.415 -0.393 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)C(=O)[N-]OC1CCCCC1 ZINC001329915119 849852834 /nfs/dbraw/zinc/85/28/34/849852834.db2.gz SETWDMXIHYNVEQ-UHFFFAOYSA-N -1 0 350.441 -0.685 20 0 FBADRM CO[C@H](C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1)[C@H]1CCOC1 ZINC001329924674 849855901 /nfs/dbraw/zinc/85/59/01/849855901.db2.gz SYZHHXHXQIWJQO-HUBLWGQQSA-N -1 0 354.403 -0.038 20 0 FBADRM CO[C@H](C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1)[C@@H]1CCOC1 ZINC001329924675 849855781 /nfs/dbraw/zinc/85/57/81/849855781.db2.gz SYZHHXHXQIWJQO-JMSVASOKSA-N -1 0 354.403 -0.038 20 0 FBADRM CO[C@H](C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1)[C@@H]1CCOC1 ZINC001329924676 849855685 /nfs/dbraw/zinc/85/56/85/849855685.db2.gz SYZHHXHXQIWJQO-XUJVJEKNSA-N -1 0 354.403 -0.038 20 0 FBADRM CO[C@H](C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1)[C@H]1CCOC1 ZINC001329924677 849856087 /nfs/dbraw/zinc/85/60/87/849856087.db2.gz SYZHHXHXQIWJQO-ZOWXZIJZSA-N -1 0 354.403 -0.038 20 0 FBADRM O=C([O-])[C@@H]1COCCN1CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC001329925377 849856044 /nfs/dbraw/zinc/85/60/44/849856044.db2.gz HUJYLBZGXMSHCJ-AWEZNQCLSA-N -1 0 353.419 -0.367 20 0 FBADRM O=C([O-])[C@H]1COCCN1CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC001329925378 849856130 /nfs/dbraw/zinc/85/61/30/849856130.db2.gz HUJYLBZGXMSHCJ-CQSZACIVSA-N -1 0 353.419 -0.367 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)n1 ZINC001329930209 849856845 /nfs/dbraw/zinc/85/68/45/849856845.db2.gz ODFQDWINEANBDS-RKDXNWHRSA-N -1 0 350.331 -0.727 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)N2CCS(=O)(=O)CC2)C1 ZINC001329933033 849858142 /nfs/dbraw/zinc/85/81/42/849858142.db2.gz XDLDNXCGPWCRJG-LLVKDONJSA-N -1 0 357.354 -0.020 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)N2CCS(=O)(=O)CC2)C1 ZINC001329933034 849858458 /nfs/dbraw/zinc/85/84/58/849858458.db2.gz XDLDNXCGPWCRJG-NSHDSACASA-N -1 0 357.354 -0.020 20 0 FBADRM O=CN1CCCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC001329933842 849858011 /nfs/dbraw/zinc/85/80/11/849858011.db2.gz KWLQARBPTWBGFM-UHFFFAOYSA-N -1 0 353.360 -0.711 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CCOCC3)CC2)C1 ZINC001329936957 849858184 /nfs/dbraw/zinc/85/81/84/849858184.db2.gz HPCVZNDYMZCAEW-CYBMUJFWSA-N -1 0 353.419 -0.367 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC001329937333 849858265 /nfs/dbraw/zinc/85/82/65/849858265.db2.gz JCCLRRWMANWBQS-UONOGXRCSA-N -1 0 353.419 -0.510 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)C1 ZINC001329937336 849858298 /nfs/dbraw/zinc/85/82/98/849858298.db2.gz JCCLRRWMANWBQS-ZIAGYGMSSA-N -1 0 353.419 -0.510 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C(C)(C)C)CC2)C1 ZINC001329937960 849858170 /nfs/dbraw/zinc/85/81/70/849858170.db2.gz LXGAYBVVPIHUJN-KRWDZBQOSA-N -1 0 355.435 -0.121 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C(C)(C)C)CC2)C1 ZINC001329937962 849857980 /nfs/dbraw/zinc/85/79/80/849857980.db2.gz LXGAYBVVPIHUJN-QGZVFWFLSA-N -1 0 355.435 -0.121 20 0 FBADRM COCCN1CCN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CC1 ZINC001329944206 849858958 /nfs/dbraw/zinc/85/89/58/849858958.db2.gz HUBWDBZPAVCQIG-UHFFFAOYSA-N -1 0 355.435 -0.120 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)C[C@H]1C(=O)[O-] ZINC001329944536 849859060 /nfs/dbraw/zinc/85/90/60/849859060.db2.gz JBHUBRNUKADALK-HZSPNIEDSA-N -1 0 353.419 -0.511 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)C[C@@H]1C(=O)[O-] ZINC001329944538 849859227 /nfs/dbraw/zinc/85/92/27/849859227.db2.gz JBHUBRNUKADALK-MCIONIFRSA-N -1 0 353.419 -0.511 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)C[C@H]1C(=O)[O-] ZINC001329944540 849859158 /nfs/dbraw/zinc/85/91/58/849859158.db2.gz JBHUBRNUKADALK-MGPQQGTHSA-N -1 0 353.419 -0.511 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)C[C@@H]1C(=O)[O-] ZINC001329944542 849859332 /nfs/dbraw/zinc/85/93/32/849859332.db2.gz JBHUBRNUKADALK-RDBSUJKOSA-N -1 0 353.419 -0.511 20 0 FBADRM CC(C)(C)N1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC001329946159 849860668 /nfs/dbraw/zinc/86/06/68/849860668.db2.gz SMFQEYCQMTXFOG-SJKOYZFVSA-N -1 0 353.419 -0.511 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)C1 ZINC001329946179 849860142 /nfs/dbraw/zinc/86/01/42/849860142.db2.gz TVWGUTBVDIUUGB-HZSPNIEDSA-N -1 0 353.419 -0.511 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)C1 ZINC001329946180 849860337 /nfs/dbraw/zinc/86/03/37/849860337.db2.gz TVWGUTBVDIUUGB-MCIONIFRSA-N -1 0 353.419 -0.511 20 0 FBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)C1 ZINC001329946181 849860391 /nfs/dbraw/zinc/86/03/91/849860391.db2.gz TVWGUTBVDIUUGB-MGPQQGTHSA-N -1 0 353.419 -0.511 20 0 FBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)C1 ZINC001329946182 849860011 /nfs/dbraw/zinc/86/00/11/849860011.db2.gz TVWGUTBVDIUUGB-RDBSUJKOSA-N -1 0 353.419 -0.511 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)C1 ZINC001329946611 849860718 /nfs/dbraw/zinc/86/07/18/849860718.db2.gz VURMRSBMGYFYFP-AVGNSLFASA-N -1 0 351.403 -0.173 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)C1 ZINC001329946612 849860019 /nfs/dbraw/zinc/86/00/19/849860019.db2.gz VURMRSBMGYFYFP-RWMBFGLXSA-N -1 0 351.403 -0.173 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1 ZINC001329946613 849860361 /nfs/dbraw/zinc/86/03/61/849860361.db2.gz VURMRSBMGYFYFP-XQQFMLRXSA-N -1 0 351.403 -0.173 20 0 FBADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)C1 ZINC001329946614 849860376 /nfs/dbraw/zinc/86/03/76/849860376.db2.gz VURMRSBMGYFYFP-YNEHKIRRSA-N -1 0 351.403 -0.173 20 0 FBADRM COC(=O)NC1CN(C(=O)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC001329948484 849860645 /nfs/dbraw/zinc/86/06/45/849860645.db2.gz AUKDUCZVOQGGEC-DVVUODLYSA-N -1 0 355.391 -0.195 20 0 FBADRM COC(=O)NC1CN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC001329948485 849860237 /nfs/dbraw/zinc/86/02/37/849860237.db2.gz AUKDUCZVOQGGEC-INTQDDNPSA-N -1 0 355.391 -0.195 20 0 FBADRM COc1ccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c(S(C)(=O)=O)c1 ZINC001329951267 849861608 /nfs/dbraw/zinc/86/16/08/849861608.db2.gz QXBSYFOAZDSIKQ-MRVPVSSYSA-N -1 0 358.372 -0.126 20 0 FBADRM COc1ccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c(S(C)(=O)=O)c1 ZINC001329951268 849861351 /nfs/dbraw/zinc/86/13/51/849861351.db2.gz QXBSYFOAZDSIKQ-QMMMGPOBSA-N -1 0 358.372 -0.126 20 0 FBADRM C[C@@H](CNC(=O)C(=O)NCc1cccc(CS(C)(=O)=O)c1)C(=O)[O-] ZINC001329952157 849861578 /nfs/dbraw/zinc/86/15/78/849861578.db2.gz UQXMDPZEJBXUSC-JTQLQIEISA-N -1 0 356.400 -0.316 20 0 FBADRM C[C@H](CNC(=O)C(=O)NCc1cccc(CS(C)(=O)=O)c1)C(=O)[O-] ZINC001329952159 849861808 /nfs/dbraw/zinc/86/18/08/849861808.db2.gz UQXMDPZEJBXUSC-SNVBAGLBSA-N -1 0 356.400 -0.316 20 0 FBADRM O=C(OCc1ccccc1)N1CC(S(=O)(=O)NCc2nc(=O)o[n-]2)C1 ZINC001329957722 849862336 /nfs/dbraw/zinc/86/23/36/849862336.db2.gz PQYNSNIRWCVTCH-UHFFFAOYSA-N -1 0 368.371 -0.197 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CNS(=O)(=O)c1ccccc1)C2 ZINC001329962254 849863787 /nfs/dbraw/zinc/86/37/87/849863787.db2.gz BGMHDMPGUDUQJL-IAQYHMDHSA-N -1 0 354.384 -0.476 20 0 FBADRM CC(=O)NC[C@@H]1CCn2ncc(C(=O)N[C@]3(C(=O)[O-])CCOC3)c2C1 ZINC001329964704 849864623 /nfs/dbraw/zinc/86/46/23/849864623.db2.gz WCDJFMFOKDURRP-BDJLRTHQSA-N -1 0 350.375 -0.445 20 0 FBADRM CC(=O)NC[C@@H]1CCn2ncc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)c2C1 ZINC001329964706 849864518 /nfs/dbraw/zinc/86/45/18/849864518.db2.gz WCDJFMFOKDURRP-BZNIZROVSA-N -1 0 350.375 -0.445 20 0 FBADRM COc1ccc(-c2nnc(S(=O)(=O)Cc3nnn(C)n3)[n-]2)c(OC)c1 ZINC001329964707 849864339 /nfs/dbraw/zinc/86/43/39/849864339.db2.gz MJFCXJFNCUZOAB-UHFFFAOYSA-N -1 0 365.375 -0.014 20 0 FBADRM CC(=O)NC[C@H]1CCn2ncc(C(=O)N[C@]3(C(=O)[O-])CCOC3)c2C1 ZINC001329964708 849864452 /nfs/dbraw/zinc/86/44/52/849864452.db2.gz WCDJFMFOKDURRP-MEDUHNTESA-N -1 0 350.375 -0.445 20 0 FBADRM CC(=O)NC[C@H]1CCn2ncc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)c2C1 ZINC001329964711 849864629 /nfs/dbraw/zinc/86/46/29/849864629.db2.gz WCDJFMFOKDURRP-ZBEGNZNMSA-N -1 0 350.375 -0.445 20 0 FBADRM COC(=O)c1ncoc1COCC(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001329966288 849864707 /nfs/dbraw/zinc/86/47/07/849864707.db2.gz LMMPORAQILYEKI-SECBINFHSA-N -1 0 350.335 -0.103 20 0 FBADRM COC(=O)c1ncoc1COCC(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001329966289 849864405 /nfs/dbraw/zinc/86/44/05/849864405.db2.gz LMMPORAQILYEKI-VIFPVBQESA-N -1 0 350.335 -0.103 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)N(C)C(=O)CO2 ZINC001329966780 849864444 /nfs/dbraw/zinc/86/44/44/849864444.db2.gz SALBEUIZIGOOHQ-UHFFFAOYSA-N -1 0 356.356 -0.336 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)c(C)o1 ZINC001329966791 849864563 /nfs/dbraw/zinc/86/45/63/849864563.db2.gz SEXDCIBTQAMNJM-UHFFFAOYSA-N -1 0 353.374 -0.386 20 0 FBADRM CNC(=O)Cn1nc(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)cc1C ZINC001329967839 849864615 /nfs/dbraw/zinc/86/46/15/849864615.db2.gz WLHVTYSHZXVSSZ-UHFFFAOYSA-N -1 0 366.403 -0.044 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1nnn(-c2cnn(C)c2)c1C)OC ZINC001329975573 849865851 /nfs/dbraw/zinc/86/58/51/849865851.db2.gz FFOGHFZVSGJFBY-LLVKDONJSA-N -1 0 372.407 -0.970 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1nnn(-c2cnn(C)c2)c1C)OC ZINC001329975574 849865592 /nfs/dbraw/zinc/86/55/92/849865592.db2.gz FFOGHFZVSGJFBY-NSHDSACASA-N -1 0 372.407 -0.970 20 0 FBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC001329977770 849865320 /nfs/dbraw/zinc/86/53/20/849865320.db2.gz GOUZZVMJXORYLQ-ZDUSSCGKSA-N -1 0 374.440 -0.310 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)cnn1C ZINC001329980391 849866614 /nfs/dbraw/zinc/86/66/14/849866614.db2.gz UJPIMRMVQMGRRA-GCDPNZCJSA-N -1 0 355.372 -0.746 20 0 FBADRM CCN1C(=O)CO[C@H](C(=O)[N-]S(=O)(=O)C(C)(C)C)[C@H]1c1nccn1C ZINC001329980415 849866711 /nfs/dbraw/zinc/86/67/11/849866711.db2.gz UMFVRDVLDMSTBM-RYUDHWBXSA-N -1 0 372.447 -0.047 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ocnc2C(F)F)CC1 ZINC001329980763 849866516 /nfs/dbraw/zinc/86/65/16/849866516.db2.gz XOCWUNFWALGOIN-UHFFFAOYSA-N -1 0 352.319 -0.249 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCC2CN(S(C)(=O)=O)C2)cn1 ZINC001329980836 849866597 /nfs/dbraw/zinc/86/65/97/849866597.db2.gz YVGUPFQIVNOWQY-UHFFFAOYSA-N -1 0 362.433 -0.926 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC001329982407 849866994 /nfs/dbraw/zinc/86/69/94/849866994.db2.gz AVLXYANDFDZMSP-CYBMUJFWSA-N -1 0 367.427 -0.269 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC001329982410 849866666 /nfs/dbraw/zinc/86/66/66/849866666.db2.gz AVLXYANDFDZMSP-ZDUSSCGKSA-N -1 0 367.427 -0.269 20 0 FBADRM Cc1oc(S(C)(=O)=O)cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001329986892 849867901 /nfs/dbraw/zinc/86/79/01/849867901.db2.gz URHVDEGMZKTIIE-UHFFFAOYSA-N -1 0 352.390 -0.813 20 0 FBADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001329987073 849867794 /nfs/dbraw/zinc/86/77/94/849867794.db2.gz ILEZCRFNRBWEJW-CKYFFXLPSA-N -1 0 351.384 -0.232 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)Cc2c(C)[nH]c3ccnn3c2=O)CC1 ZINC001330000903 849869065 /nfs/dbraw/zinc/86/90/65/849869065.db2.gz STZSQHLSBXLEOK-UHFFFAOYSA-N -1 0 354.388 -0.501 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H]2CCCC[C@]2(C(=O)OC)C1 ZINC001330009250 849871251 /nfs/dbraw/zinc/87/12/51/849871251.db2.gz STSRESWATRTRST-ZBEGNZNMSA-N -1 0 355.391 -0.638 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)[C@@H](C)N1CCOCC1 ZINC001330009860 849871151 /nfs/dbraw/zinc/87/11/51/849871151.db2.gz RWFJCHJVYVYDHR-AAVRWANBSA-N -1 0 355.435 -0.219 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)[C@H](C)N1CCOCC1 ZINC001330009861 849870897 /nfs/dbraw/zinc/87/08/97/849870897.db2.gz RWFJCHJVYVYDHR-MQYQWHSLSA-N -1 0 355.435 -0.219 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)[C@@H](C)N1CCOCC1 ZINC001330009862 849871028 /nfs/dbraw/zinc/87/10/28/849871028.db2.gz RWFJCHJVYVYDHR-SYQHCUMBSA-N -1 0 355.435 -0.219 20 0 FBADRM C[C@@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)[C@H](C)N1CCOCC1 ZINC001330009863 849870878 /nfs/dbraw/zinc/87/08/78/849870878.db2.gz RWFJCHJVYVYDHR-YIYPIFLZSA-N -1 0 355.435 -0.219 20 0 FBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001330049694 849877285 /nfs/dbraw/zinc/87/72/85/849877285.db2.gz DQONBSFBMYSTLG-MGEMXXMPSA-N -1 0 363.417 -0.949 20 0 FBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001330049695 849877485 /nfs/dbraw/zinc/87/74/85/849877485.db2.gz DQONBSFBMYSTLG-NHMDRVICSA-N -1 0 363.417 -0.949 20 0 FBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001330049696 849878013 /nfs/dbraw/zinc/87/80/13/849878013.db2.gz DQONBSFBMYSTLG-RZPDLZAOSA-N -1 0 363.417 -0.949 20 0 FBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001330049697 849878121 /nfs/dbraw/zinc/87/81/21/849878121.db2.gz DQONBSFBMYSTLG-SFXNISCSSA-N -1 0 363.417 -0.949 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cnn(CC(F)F)c1 ZINC001330050443 849878128 /nfs/dbraw/zinc/87/81/28/849878128.db2.gz KKTXDZIUGHJYAG-MRVPVSSYSA-N -1 0 373.359 -0.980 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cnn(CC(F)F)c1 ZINC001330050445 849877587 /nfs/dbraw/zinc/87/75/87/849877587.db2.gz KKTXDZIUGHJYAG-QMMMGPOBSA-N -1 0 373.359 -0.980 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N(CCC(=O)[O-])Cc1ccccn1 ZINC001330050997 849877439 /nfs/dbraw/zinc/87/74/39/849877439.db2.gz RZQKOYUILIPWLY-UHFFFAOYSA-N -1 0 350.418 -0.267 20 0 FBADRM CC(=O)N1CCc2sc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)cc2C1 ZINC001330054397 849878876 /nfs/dbraw/zinc/87/88/76/849878876.db2.gz IVNMNDUFNUATCK-MADCSZMMSA-N -1 0 362.429 -0.235 20 0 FBADRM CC(=O)N1Cc2ccc(S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])cc2C1 ZINC001330056610 849879000 /nfs/dbraw/zinc/87/90/00/849879000.db2.gz RUQTYNQWOJUAPY-OCCSQVGLSA-N -1 0 354.384 -0.243 20 0 FBADRM CC(=O)N1Cc2ccc(S(=O)(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])cc2C1 ZINC001330056612 849879077 /nfs/dbraw/zinc/87/90/77/849879077.db2.gz RUQTYNQWOJUAPY-TZMCWYRMSA-N -1 0 354.384 -0.243 20 0 FBADRM CSCC[C@H](NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001330056808 849879128 /nfs/dbraw/zinc/87/91/28/849879128.db2.gz UULXCZDFUPJFHL-UWVGGRQHSA-N -1 0 359.491 -0.063 20 0 FBADRM CSCC[C@H](NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001330056809 849879086 /nfs/dbraw/zinc/87/90/86/849879086.db2.gz UULXCZDFUPJFHL-ZJUUUORDSA-N -1 0 359.491 -0.063 20 0 FBADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC001330062610 849879999 /nfs/dbraw/zinc/87/99/99/849879999.db2.gz LPUPWLAVIMYUEW-GFCCVEGCSA-N -1 0 361.397 -0.411 20 0 FBADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC001330062611 849880294 /nfs/dbraw/zinc/88/02/94/849880294.db2.gz LPUPWLAVIMYUEW-LBPRGKRZSA-N -1 0 361.397 -0.411 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)NC[C@@H]2COCCO2)C1 ZINC001330078315 849881287 /nfs/dbraw/zinc/88/12/87/849881287.db2.gz FTGPHLNUZSEULL-NOZJJQNGSA-N -1 0 367.324 -0.813 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)NC[C@@H]2COCCO2)C1 ZINC001330078316 849881390 /nfs/dbraw/zinc/88/13/90/849881390.db2.gz FTGPHLNUZSEULL-RNCFNFMXSA-N -1 0 367.324 -0.813 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)NC[C@H]2COCCO2)C1 ZINC001330078317 849881473 /nfs/dbraw/zinc/88/14/73/849881473.db2.gz FTGPHLNUZSEULL-TVQRCGJNSA-N -1 0 367.324 -0.813 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)NC[C@H]2COCCO2)C1 ZINC001330078318 849881377 /nfs/dbraw/zinc/88/13/77/849881377.db2.gz FTGPHLNUZSEULL-ZANVPECISA-N -1 0 367.324 -0.813 20 0 FBADRM COC(=O)[C@]1(N2CCN(C(=O)CSc3n[nH]c(=O)[n-]3)CC2)CCOC1 ZINC001330093276 849885141 /nfs/dbraw/zinc/88/51/41/849885141.db2.gz XMKDSHPUFQFWGL-AWEZNQCLSA-N -1 0 371.419 -0.921 20 0 FBADRM COC(=O)[C@@]1(N2CCN(C(=O)CSc3n[nH]c(=O)[n-]3)CC2)CCOC1 ZINC001330093279 849884920 /nfs/dbraw/zinc/88/49/20/849884920.db2.gz XMKDSHPUFQFWGL-CQSZACIVSA-N -1 0 371.419 -0.921 20 0 FBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC001330108171 849888490 /nfs/dbraw/zinc/88/84/90/849888490.db2.gz LHBYMDMRVGWWLZ-UHFFFAOYSA-N -1 0 352.294 -0.118 20 0 FBADRM COCCOCCNC(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001330116621 849889936 /nfs/dbraw/zinc/88/99/36/849889936.db2.gz VNWVNEHJKOEUPP-CYBMUJFWSA-N -1 0 369.340 -0.565 20 0 FBADRM COCCOCCNC(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001330116622 849889870 /nfs/dbraw/zinc/88/98/70/849889870.db2.gz VNWVNEHJKOEUPP-ZDUSSCGKSA-N -1 0 369.340 -0.565 20 0 FBADRM CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC001330123410 849891143 /nfs/dbraw/zinc/89/11/43/849891143.db2.gz PIQWJQSYBXQNKR-SECBINFHSA-N -1 0 371.820 -0.392 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)cn1 ZINC001330125018 849891051 /nfs/dbraw/zinc/89/10/51/849891051.db2.gz YHKVAFRVYDJYEQ-BXKDBHETSA-N -1 0 358.372 -0.286 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)cn1 ZINC001330125020 849890965 /nfs/dbraw/zinc/89/09/65/849890965.db2.gz YHKVAFRVYDJYEQ-CABZTGNLSA-N -1 0 358.372 -0.286 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)cn1 ZINC001330125021 849890969 /nfs/dbraw/zinc/89/09/69/849890969.db2.gz YHKVAFRVYDJYEQ-JOYOIKCWSA-N -1 0 358.372 -0.286 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)cn1 ZINC001330125023 849890629 /nfs/dbraw/zinc/89/06/29/849890629.db2.gz YHKVAFRVYDJYEQ-SKDRFNHKSA-N -1 0 358.372 -0.286 20 0 FBADRM CO[C@@H](CS(=O)(=O)NCC1(C(=O)[O-])CCOCC1)[C@@H]1CCOC1 ZINC001330125091 849890900 /nfs/dbraw/zinc/89/09/00/849890900.db2.gz ZGNMMEAJBRBWFG-NEPJUHHUSA-N -1 0 351.421 -0.161 20 0 FBADRM CO[C@H](CS(=O)(=O)NCC1(C(=O)[O-])CCOCC1)[C@H]1CCOC1 ZINC001330125092 849891161 /nfs/dbraw/zinc/89/11/61/849891161.db2.gz ZGNMMEAJBRBWFG-NWDGAFQWSA-N -1 0 351.421 -0.161 20 0 FBADRM CO[C@@H](CS(=O)(=O)NCC1(C(=O)[O-])CCOCC1)[C@H]1CCOC1 ZINC001330125093 849891031 /nfs/dbraw/zinc/89/10/31/849891031.db2.gz ZGNMMEAJBRBWFG-RYUDHWBXSA-N -1 0 351.421 -0.161 20 0 FBADRM CO[C@H](CS(=O)(=O)NCC1(C(=O)[O-])CCOCC1)[C@@H]1CCOC1 ZINC001330125094 849890779 /nfs/dbraw/zinc/89/07/79/849890779.db2.gz ZGNMMEAJBRBWFG-VXGBXAGGSA-N -1 0 351.421 -0.161 20 0 FBADRM CS(=O)(=O)CC1(CCNS(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC001330125770 849892141 /nfs/dbraw/zinc/89/21/41/849892141.db2.gz BMMSJNLKJVRLRC-UHFFFAOYSA-N -1 0 365.433 -0.539 20 0 FBADRM CS(=O)(=O)CC1(CCNS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC001330127458 849891806 /nfs/dbraw/zinc/89/18/06/849891806.db2.gz JQQJNILWGJHNDB-LLVKDONJSA-N -1 0 368.477 -0.168 20 0 FBADRM CS(=O)(=O)CC1(CCNS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC001330127459 849891629 /nfs/dbraw/zinc/89/16/29/849891629.db2.gz JQQJNILWGJHNDB-NSHDSACASA-N -1 0 368.477 -0.168 20 0 FBADRM CN1CCN(S(=O)(=O)c2ccc(N3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)nc2)CC1 ZINC001330128852 849891771 /nfs/dbraw/zinc/89/17/71/849891771.db2.gz PEJIRLHOHGTMJY-NHAGDIPZSA-N -1 0 366.443 -0.216 20 0 FBADRM CS(=O)(=O)c1cccc(CS(=O)(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])c1 ZINC001330128888 849891890 /nfs/dbraw/zinc/89/18/90/849891890.db2.gz QAINPYWMPNDIBE-NEPJUHHUSA-N -1 0 363.413 -0.248 20 0 FBADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)n1 ZINC001330129467 849891944 /nfs/dbraw/zinc/89/19/44/849891944.db2.gz QVWUMALHTBQKOK-GHMZBOCLSA-N -1 0 362.408 -0.366 20 0 FBADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)n1 ZINC001330129468 849891924 /nfs/dbraw/zinc/89/19/24/849891924.db2.gz QVWUMALHTBQKOK-MNOVXSKESA-N -1 0 362.408 -0.366 20 0 FBADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)n1 ZINC001330129469 849891839 /nfs/dbraw/zinc/89/18/39/849891839.db2.gz QVWUMALHTBQKOK-QWRGUYRKSA-N -1 0 362.408 -0.366 20 0 FBADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)n1 ZINC001330129470 849892107 /nfs/dbraw/zinc/89/21/07/849892107.db2.gz QVWUMALHTBQKOK-WDEREUQCSA-N -1 0 362.408 -0.366 20 0 FBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)cc1F ZINC001330136846 849893767 /nfs/dbraw/zinc/89/37/67/849893767.db2.gz SJLILEXJGYHZPB-PELKAZGASA-N -1 0 368.408 -0.829 20 0 FBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@H](CO)[C@H](O)C2)cc1F ZINC001330136848 849893691 /nfs/dbraw/zinc/89/36/91/849893691.db2.gz SJLILEXJGYHZPB-PRHODGIISA-N -1 0 368.408 -0.829 20 0 FBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)cc1F ZINC001330136850 849893803 /nfs/dbraw/zinc/89/38/03/849893803.db2.gz SJLILEXJGYHZPB-QPUJVOFHSA-N -1 0 368.408 -0.829 20 0 FBADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@H](O)[C@H](CO)C2)cc1F ZINC001330136852 849893919 /nfs/dbraw/zinc/89/39/19/849893919.db2.gz SJLILEXJGYHZPB-UFBFGSQYSA-N -1 0 368.408 -0.829 20 0 FBADRM CC(=O)N1CCc2sc(S(=O)(=O)[N-]N3CC(=O)N(C)C3=O)cc2C1 ZINC001330137719 849894885 /nfs/dbraw/zinc/89/48/85/849894885.db2.gz XLLRCRRXHIODBA-UHFFFAOYSA-N -1 0 372.428 -0.260 20 0 FBADRM CC(=O)N1CCc2sc(S(=O)(=O)NCCc3nc(=O)o[n-]3)cc2C1 ZINC001330137861 849895089 /nfs/dbraw/zinc/89/50/89/849895089.db2.gz ZTGDEZUKLKAGDD-UHFFFAOYSA-N -1 0 372.428 -0.150 20 0 FBADRM O=C([O-])[C@]1(CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)CCOC1 ZINC001330139866 849894732 /nfs/dbraw/zinc/89/47/32/849894732.db2.gz GYRLAFFPVMNFQE-KRWDZBQOSA-N -1 0 354.403 -0.035 20 0 FBADRM O=C([O-])[C@@]1(CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)CCOC1 ZINC001330139867 849894803 /nfs/dbraw/zinc/89/48/03/849894803.db2.gz GYRLAFFPVMNFQE-QGZVFWFLSA-N -1 0 354.403 -0.035 20 0 FBADRM CC[S@@](=O)CCNC(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001330142141 849896144 /nfs/dbraw/zinc/89/61/44/849896144.db2.gz BGIPYGFFQHICCR-FNODVLLQSA-N -1 0 371.381 -0.459 20 0 FBADRM CC[S@](=O)CCNC(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001330142142 849896242 /nfs/dbraw/zinc/89/62/42/849896242.db2.gz BGIPYGFFQHICCR-MCFWBGNESA-N -1 0 371.381 -0.459 20 0 FBADRM CC[S@@](=O)CCNC(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001330142144 849895999 /nfs/dbraw/zinc/89/59/99/849895999.db2.gz BGIPYGFFQHICCR-OIRASMEMSA-N -1 0 371.381 -0.459 20 0 FBADRM CC[S@](=O)CCNC(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001330142146 849895977 /nfs/dbraw/zinc/89/59/77/849895977.db2.gz BGIPYGFFQHICCR-YYUOZPCZSA-N -1 0 371.381 -0.459 20 0 FBADRM COCC[C@H](C)S(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001330164921 849900759 /nfs/dbraw/zinc/90/07/59/849900759.db2.gz CJUGSMSITUXBCE-GXTWGEPZSA-N -1 0 350.437 -0.398 20 0 FBADRM COCC[C@H](C)S(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001330164922 849900739 /nfs/dbraw/zinc/90/07/39/849900739.db2.gz CJUGSMSITUXBCE-JSGCOSHPSA-N -1 0 350.437 -0.398 20 0 FBADRM COCC[C@@H](C)S(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001330164923 849900264 /nfs/dbraw/zinc/90/02/64/849900264.db2.gz CJUGSMSITUXBCE-OCCSQVGLSA-N -1 0 350.437 -0.398 20 0 FBADRM COCC[C@@H](C)S(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001330164924 849900276 /nfs/dbraw/zinc/90/02/76/849900276.db2.gz CJUGSMSITUXBCE-TZMCWYRMSA-N -1 0 350.437 -0.398 20 0 FBADRM Cc1cc(CS(=O)(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)on1 ZINC001330165094 849900649 /nfs/dbraw/zinc/90/06/49/849900649.db2.gz GKTWWQLBRVHBMS-AWEZNQCLSA-N -1 0 359.404 -0.326 20 0 FBADRM Cc1cc(CS(=O)(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)on1 ZINC001330165095 849900824 /nfs/dbraw/zinc/90/08/24/849900824.db2.gz GKTWWQLBRVHBMS-CQSZACIVSA-N -1 0 359.404 -0.326 20 0 FBADRM CCn1cc(S(=O)(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cn1 ZINC001330165098 849900685 /nfs/dbraw/zinc/90/06/85/849900685.db2.gz GOQMLSDENWYGIH-AWEZNQCLSA-N -1 0 358.420 -0.547 20 0 FBADRM CCn1cc(S(=O)(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)cn1 ZINC001330165099 849900380 /nfs/dbraw/zinc/90/03/80/849900380.db2.gz GOQMLSDENWYGIH-CQSZACIVSA-N -1 0 358.420 -0.547 20 0 FBADRM COCCS(=O)(=O)CCCN1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001330165396 849900633 /nfs/dbraw/zinc/90/06/33/849900633.db2.gz JSGNCCDJJKVPJQ-HNNXBMFYSA-N -1 0 364.464 -0.701 20 0 FBADRM COCCS(=O)(=O)CCCN1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001330165397 849900935 /nfs/dbraw/zinc/90/09/35/849900935.db2.gz JSGNCCDJJKVPJQ-OAHLLOKOSA-N -1 0 364.464 -0.701 20 0 FBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC001330165949 849900775 /nfs/dbraw/zinc/90/07/75/849900775.db2.gz PEWKBMYYDCAKLI-GFCCVEGCSA-N -1 0 354.384 -0.364 20 0 FBADRM O=C([O-])[C@]1(N2CCN(S(=O)(=O)CCOCC3CC3)CC2)CCOC1 ZINC001330168638 849901376 /nfs/dbraw/zinc/90/13/76/849901376.db2.gz NJCZIWVRNUNHTI-HNNXBMFYSA-N -1 0 362.448 -0.396 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(S(=O)(=O)CCOCC3CC3)CC2)CCOC1 ZINC001330168640 849901414 /nfs/dbraw/zinc/90/14/14/849901414.db2.gz NJCZIWVRNUNHTI-OAHLLOKOSA-N -1 0 362.448 -0.396 20 0 FBADRM O=C([O-])[C@@H](C[C@@H]1CCCOC1)NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC001330169449 849901759 /nfs/dbraw/zinc/90/17/59/849901759.db2.gz ZFKSGKZLUWNMDJ-CMPLNLGQSA-N -1 0 369.461 -0.247 20 0 FBADRM O=C([O-])[C@H](C[C@@H]1CCCOC1)NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC001330169450 849901426 /nfs/dbraw/zinc/90/14/26/849901426.db2.gz ZFKSGKZLUWNMDJ-JQWIXIFHSA-N -1 0 369.461 -0.247 20 0 FBADRM O=C([O-])[C@H](C[C@H]1CCCOC1)NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC001330169451 849901715 /nfs/dbraw/zinc/90/17/15/849901715.db2.gz ZFKSGKZLUWNMDJ-PWSUYJOCSA-N -1 0 369.461 -0.247 20 0 FBADRM O=C([O-])[C@@H](C[C@H]1CCCOC1)NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC001330169452 849901753 /nfs/dbraw/zinc/90/17/53/849901753.db2.gz ZFKSGKZLUWNMDJ-ZYHUDNBSSA-N -1 0 369.461 -0.247 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)CC[C@@H]1C(=O)[O-] ZINC001330197296 849906208 /nfs/dbraw/zinc/90/62/08/849906208.db2.gz CYWXYYCTJDHGQA-FQUUOJAGSA-N -1 0 355.435 -0.531 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)CC[C@H]1C(=O)[O-] ZINC001330197298 849905998 /nfs/dbraw/zinc/90/59/98/849905998.db2.gz CYWXYYCTJDHGQA-IGQOVBAYSA-N -1 0 355.435 -0.531 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)C[C@H](C)N1CCO ZINC001330197300 849906170 /nfs/dbraw/zinc/90/61/70/849906170.db2.gz CYWXYYCTJDHGQA-MQYQWHSLSA-N -1 0 355.435 -0.531 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)C[C@H](C)N1CCO ZINC001330197302 849906065 /nfs/dbraw/zinc/90/60/65/849906065.db2.gz CYWXYYCTJDHGQA-YIYPIFLZSA-N -1 0 355.435 -0.531 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CC[C@H]1C(=O)[O-] ZINC001330198394 849906028 /nfs/dbraw/zinc/90/60/28/849906028.db2.gz IVSUCDLQYKAVJZ-CHWSQXEVSA-N -1 0 355.435 -0.529 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CC[C@@H]1C(=O)[O-] ZINC001330198396 849907107 /nfs/dbraw/zinc/90/71/07/849907107.db2.gz IVSUCDLQYKAVJZ-OLZOCXBDSA-N -1 0 355.435 -0.529 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CC[C@H]1C(=O)[O-] ZINC001330198398 849906672 /nfs/dbraw/zinc/90/66/72/849906672.db2.gz IVSUCDLQYKAVJZ-QWHCGFSZSA-N -1 0 355.435 -0.529 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CC[C@@H]1C(=O)[O-] ZINC001330198400 849906639 /nfs/dbraw/zinc/90/66/39/849906639.db2.gz IVSUCDLQYKAVJZ-STQMWFEESA-N -1 0 355.435 -0.529 20 0 FBADRM CS(=O)(=O)CCOCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001330215218 849909294 /nfs/dbraw/zinc/90/92/94/849909294.db2.gz WFUOYTLHVOKXHY-UHFFFAOYSA-N -1 0 365.433 -0.756 20 0 FBADRM COC(=O)C1(O)CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1 ZINC001330223653 849910516 /nfs/dbraw/zinc/91/05/16/849910516.db2.gz GGZRDZDXEOJIAW-UHFFFAOYSA-N -1 0 357.388 -0.407 20 0 FBADRM C[C@]1(CO)CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C[C@@]1(C)CO ZINC001330246270 849912942 /nfs/dbraw/zinc/91/29/42/849912942.db2.gz DWOIMDVBMDBYSF-GASCZTMLSA-N -1 0 357.432 -0.094 20 0 FBADRM CCn1nc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)ccc1=O ZINC001330251971 849914158 /nfs/dbraw/zinc/91/41/58/849914158.db2.gz HRFHICITNMZIIS-INIZCTEOSA-N -1 0 350.375 -0.735 20 0 FBADRM CCn1nc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)ccc1=O ZINC001330251972 849913726 /nfs/dbraw/zinc/91/37/26/849913726.db2.gz HRFHICITNMZIIS-MRXNPFEDSA-N -1 0 350.375 -0.735 20 0 FBADRM CC(C)(C)C(=O)NCCC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001330252527 849914131 /nfs/dbraw/zinc/91/41/31/849914131.db2.gz HVHYHAUULPRJAB-KRWDZBQOSA-N -1 0 355.435 -0.073 20 0 FBADRM CC(C)(C)C(=O)NCCC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001330252530 849913425 /nfs/dbraw/zinc/91/34/25/849913425.db2.gz HVHYHAUULPRJAB-QGZVFWFLSA-N -1 0 355.435 -0.073 20 0 FBADRM O=C([O-])[C@]1(N2CCN(C(=O)CS(=O)(=O)C3CCCC3)CC2)CCOC1 ZINC001330253163 849913974 /nfs/dbraw/zinc/91/39/74/849913974.db2.gz KUGZRSQSZLKQFQ-INIZCTEOSA-N -1 0 374.459 -0.268 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(C(=O)CS(=O)(=O)C3CCCC3)CC2)CCOC1 ZINC001330253164 849913698 /nfs/dbraw/zinc/91/36/98/849913698.db2.gz KUGZRSQSZLKQFQ-MRXNPFEDSA-N -1 0 374.459 -0.268 20 0 FBADRM COCCN(C(=O)CC1(C(=O)[O-])CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001330254861 849914068 /nfs/dbraw/zinc/91/40/68/849914068.db2.gz QUMFDVPCTWBMGU-GFCCVEGCSA-N -1 0 363.432 -0.080 20 0 FBADRM COCCN(C(=O)CC1(C(=O)[O-])CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001330254865 849913585 /nfs/dbraw/zinc/91/35/85/849913585.db2.gz QUMFDVPCTWBMGU-LBPRGKRZSA-N -1 0 363.432 -0.080 20 0 FBADRM Cc1oc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cc1S(C)(=O)=O ZINC001330255444 849914100 /nfs/dbraw/zinc/91/41/00/849914100.db2.gz UAGMEAXWTVNFIQ-UHFFFAOYSA-N -1 0 354.344 -0.022 20 0 FBADRM CS(=O)(=O)CC1(CC(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CC1 ZINC001330256102 849915202 /nfs/dbraw/zinc/91/52/02/849915202.db2.gz YUJYQGZAHHHOAE-INIZCTEOSA-N -1 0 374.459 -0.411 20 0 FBADRM CS(=O)(=O)CC1(CC(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CC1 ZINC001330256105 849914902 /nfs/dbraw/zinc/91/49/02/849914902.db2.gz YUJYQGZAHHHOAE-MRXNPFEDSA-N -1 0 374.459 -0.411 20 0 FBADRM COCCCn1nc(C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)ccc1=O ZINC001330261512 849915223 /nfs/dbraw/zinc/91/52/23/849915223.db2.gz FIWODGZZYQAOEM-INIZCTEOSA-N -1 0 353.375 -0.109 20 0 FBADRM COCCCn1nc(C(=O)NC[C@]2(C(=O)[O-])CCCOC2)ccc1=O ZINC001330261513 849914882 /nfs/dbraw/zinc/91/48/82/849914882.db2.gz FIWODGZZYQAOEM-MRXNPFEDSA-N -1 0 353.375 -0.109 20 0 FBADRM O=C([O-])[C@]1(CNC(=O)CC2(n3cnnn3)CCOCC2)CCCOC1 ZINC001330275140 849916190 /nfs/dbraw/zinc/91/61/90/849916190.db2.gz RANMSTJUCQPBLV-AWEZNQCLSA-N -1 0 353.379 -0.434 20 0 FBADRM O=C([O-])[C@@]1(CNC(=O)CC2(n3cnnn3)CCOCC2)CCCOC1 ZINC001330275141 849915968 /nfs/dbraw/zinc/91/59/68/849915968.db2.gz RANMSTJUCQPBLV-CQSZACIVSA-N -1 0 353.379 -0.434 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(OCCS(C)(=O)=O)cc1 ZINC001330314850 849919950 /nfs/dbraw/zinc/91/99/50/849919950.db2.gz FSUBXEQKNHGXGH-UHFFFAOYSA-N -1 0 360.388 -0.257 20 0 FBADRM O=C([N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)[C@@H]1CCNC(=O)CC1 ZINC001330398898 849936814 /nfs/dbraw/zinc/93/68/14/849936814.db2.gz SAMWALITYMDGEX-JTQLQIEISA-N -1 0 364.387 -0.617 20 0 FBADRM O=C([N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)[C@H]1CCNC(=O)CC1 ZINC001330398899 849937090 /nfs/dbraw/zinc/93/70/90/849937090.db2.gz SAMWALITYMDGEX-SNVBAGLBSA-N -1 0 364.387 -0.617 20 0 FBADRM C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC001330403157 849937198 /nfs/dbraw/zinc/93/71/98/849937198.db2.gz ZKYDMKQHAAMXFW-AMIZOPFISA-N -1 0 364.324 -0.997 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)Cc2c[nH]c3cnccc23)CC1 ZINC001330407781 849938114 /nfs/dbraw/zinc/93/81/14/849938114.db2.gz BYPUPOQRZLWPFY-UHFFFAOYSA-N -1 0 365.415 -0.370 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC001330409247 849937758 /nfs/dbraw/zinc/93/77/58/849937758.db2.gz QEYFLFPMMWELJL-UHFFFAOYSA-N -1 0 354.388 -0.315 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)CN3CCCCC3=O)cnc21 ZINC001330410237 849939043 /nfs/dbraw/zinc/93/90/43/849939043.db2.gz XFVNIIUJFYZSQV-UHFFFAOYSA-N -1 0 351.388 -0.214 20 0 FBADRM Cn1nccc1COCC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC001330414495 849939741 /nfs/dbraw/zinc/93/97/41/849939741.db2.gz JZIBQLYBARZTCO-UHFFFAOYSA-N -1 0 355.376 -0.579 20 0 FBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC001330415139 849939722 /nfs/dbraw/zinc/93/97/22/849939722.db2.gz ULTUZBJLNQQLDS-GRYCIOLGSA-N -1 0 370.431 -0.059 20 0 FBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC001330415140 849940095 /nfs/dbraw/zinc/94/00/95/849940095.db2.gz ULTUZBJLNQQLDS-IJLUTSLNSA-N -1 0 370.431 -0.059 20 0 FBADRM NC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC001330415141 849939827 /nfs/dbraw/zinc/93/98/27/849939827.db2.gz ULTUZBJLNQQLDS-UTUOFQBUSA-N -1 0 370.431 -0.059 20 0 FBADRM NC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC001330415142 849940048 /nfs/dbraw/zinc/94/00/48/849940048.db2.gz ULTUZBJLNQQLDS-WOPDTQHZSA-N -1 0 370.431 -0.059 20 0 FBADRM C[C@@H](Sc1nncn1C)C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC001330415373 849940148 /nfs/dbraw/zinc/94/01/48/849940148.db2.gz WBQZBMKZUQTVIM-MRVPVSSYSA-N -1 0 372.432 -0.220 20 0 FBADRM C[C@H](Sc1nncn1C)C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC001330415375 849939980 /nfs/dbraw/zinc/93/99/80/849939980.db2.gz WBQZBMKZUQTVIM-QMMMGPOBSA-N -1 0 372.432 -0.220 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)CO[C@H]3CCOC3)cc12 ZINC001330415497 849939841 /nfs/dbraw/zinc/93/98/41/849939841.db2.gz YMNMUEDSXXZYBZ-JTQLQIEISA-N -1 0 354.388 -0.113 20 0 FBADRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)CO[C@@H]3CCOC3)cc12 ZINC001330415498 849939947 /nfs/dbraw/zinc/93/99/47/849939947.db2.gz YMNMUEDSXXZYBZ-SNVBAGLBSA-N -1 0 354.388 -0.113 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CC1=O ZINC001330415527 849939888 /nfs/dbraw/zinc/93/98/88/849939888.db2.gz ZISBKZDVJLXBKM-GHMZBOCLSA-N -1 0 356.404 -0.482 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)CC1=O ZINC001330415528 849939870 /nfs/dbraw/zinc/93/98/70/849939870.db2.gz ZISBKZDVJLXBKM-MNOVXSKESA-N -1 0 356.404 -0.482 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)CC1=O ZINC001330415529 849939728 /nfs/dbraw/zinc/93/97/28/849939728.db2.gz ZISBKZDVJLXBKM-QWRGUYRKSA-N -1 0 356.404 -0.482 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CC1=O ZINC001330415530 849940067 /nfs/dbraw/zinc/94/00/67/849940067.db2.gz ZISBKZDVJLXBKM-WDEREUQCSA-N -1 0 356.404 -0.482 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(OC[C@H]2CCCO2)CC1 ZINC001330426723 849943165 /nfs/dbraw/zinc/94/31/65/849943165.db2.gz UEBWNSBPJNTJJY-CYBMUJFWSA-N -1 0 357.407 -0.643 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC001330426725 849942673 /nfs/dbraw/zinc/94/26/73/849942673.db2.gz UEBWNSBPJNTJJY-ZDUSSCGKSA-N -1 0 357.407 -0.643 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)c3cc(S(N)(=O)=O)ccc3[O-])C2)cn1 ZINC001330450679 849948104 /nfs/dbraw/zinc/94/81/04/849948104.db2.gz OBZZBHNIXALIIU-JTQLQIEISA-N -1 0 365.415 -0.218 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)c3cc(S(N)(=O)=O)ccc3[O-])C2)cn1 ZINC001330450680 849948198 /nfs/dbraw/zinc/94/81/98/849948198.db2.gz OBZZBHNIXALIIU-SNVBAGLBSA-N -1 0 365.415 -0.218 20 0 FBADRM CCS(=O)(=O)C1(CNC(=O)C(=O)N=c2ccnc3n(C)[nH]cc2-3)CC1 ZINC001330464411 849951195 /nfs/dbraw/zinc/95/11/95/849951195.db2.gz ZNHNHDUZHTURFA-UHFFFAOYSA-N -1 0 365.415 -0.636 20 0 FBADRM O=C(NCCS(=O)(=O)C1CC1)N1CC(CNC(=O)C(F)(F)F)C1 ZINC001330464676 849951216 /nfs/dbraw/zinc/95/12/16/849951216.db2.gz ASRFKYFAGXEDAE-UHFFFAOYSA-N -1 0 357.354 -0.117 20 0 FBADRM CN(CCOCCO)C(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001330473403 849953010 /nfs/dbraw/zinc/95/30/10/849953010.db2.gz XTCMZSRYWRUDRF-CYBMUJFWSA-N -1 0 369.340 -0.877 20 0 FBADRM CN(CCOCCO)C(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001330473405 849952933 /nfs/dbraw/zinc/95/29/33/849952933.db2.gz XTCMZSRYWRUDRF-ZDUSSCGKSA-N -1 0 369.340 -0.877 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC(O)(C(N)=O)CC1 ZINC001330486822 849954379 /nfs/dbraw/zinc/95/43/79/849954379.db2.gz GKHSHPHATNIKBK-UHFFFAOYSA-N -1 0 355.416 -0.099 20 0 FBADRM O=C([O-])c1ncccc1NC(=O)C(=O)NCCC(=O)N1CCOCC1 ZINC001330503619 849959005 /nfs/dbraw/zinc/95/90/05/849959005.db2.gz BWCSYNUEEKUJLR-UHFFFAOYSA-N -1 0 350.331 -0.917 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CCC3(C2)OCCO3)n1 ZINC001330504517 849958890 /nfs/dbraw/zinc/95/88/90/849958890.db2.gz FKTAZOGCRAFXDW-UHFFFAOYSA-N -1 0 352.347 -0.383 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)c1cn(CCNC(=O)OC(C)(C)C)nn1 ZINC001330505299 849958807 /nfs/dbraw/zinc/95/88/07/849958807.db2.gz JHOQJQXYPSXMDR-UHFFFAOYSA-N -1 0 362.412 -0.661 20 0 FBADRM CS(=O)(=O)C1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1 ZINC001330505400 849958673 /nfs/dbraw/zinc/95/86/73/849958673.db2.gz KMOJXBKHDDEVQL-UHFFFAOYSA-N -1 0 355.372 -0.246 20 0 FBADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NCCSCCCO)n1 ZINC001330508297 849958973 /nfs/dbraw/zinc/95/89/73/849958973.db2.gz XYDNZUHOYYGUEV-UHFFFAOYSA-N -1 0 358.420 -0.127 20 0 FBADRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)C2CCN(C(C)=O)CC2)[nH]1 ZINC001330509464 849959901 /nfs/dbraw/zinc/95/99/01/849959901.db2.gz AQLGJNAAWQCSGD-UHFFFAOYSA-N -1 0 357.388 -0.128 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)Cc1ccn(C)n1 ZINC001330509512 849960002 /nfs/dbraw/zinc/96/00/02/849960002.db2.gz BPFVSYQYWCZTON-UHFFFAOYSA-N -1 0 372.428 -0.344 20 0 FBADRM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O)ccc21 ZINC001330509536 849959907 /nfs/dbraw/zinc/95/99/07/849959907.db2.gz CTOKKRWULVINOV-UHFFFAOYSA-N -1 0 360.417 -0.402 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1cccnc1)C1(n2cnnn2)CCOCC1 ZINC001330510333 849959928 /nfs/dbraw/zinc/95/99/28/849959928.db2.gz NOKMEZQSLYMADX-UHFFFAOYSA-N -1 0 352.376 -0.780 20 0 FBADRM CC(=O)N1CCc2sc(S(=O)(=O)[N-]C(=O)c3cnnn3C)cc2C1 ZINC001330510416 849960048 /nfs/dbraw/zinc/96/00/48/849960048.db2.gz QJBLPSXGEPCIRZ-UHFFFAOYSA-N -1 0 369.428 -0.100 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CC1(n2cnnn2)CCOCC1 ZINC001330510559 849959917 /nfs/dbraw/zinc/95/99/17/849959917.db2.gz RDVKRDJTSWFDAN-UHFFFAOYSA-N -1 0 369.407 -0.884 20 0 FBADRM O=C(CC1(n2cnnn2)CCOCC1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC001330510562 849959755 /nfs/dbraw/zinc/95/97/55/849959755.db2.gz RGGAEHKMRZGJFR-LLVKDONJSA-N -1 0 359.408 -0.949 20 0 FBADRM O=C(CC1(n2cnnn2)CCOCC1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC001330510563 849960181 /nfs/dbraw/zinc/96/01/81/849960181.db2.gz RGGAEHKMRZGJFR-NSHDSACASA-N -1 0 359.408 -0.949 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)[C@@H](OC)[C@H]1CCOC1 ZINC001330510838 849960015 /nfs/dbraw/zinc/96/00/15/849960015.db2.gz XOILMTIBVLNZKC-GWCFXTLKSA-N -1 0 372.399 -0.350 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)[C@H](OC)[C@H]1CCOC1 ZINC001330510839 849959883 /nfs/dbraw/zinc/95/98/83/849959883.db2.gz XOILMTIBVLNZKC-GXFFZTMASA-N -1 0 372.399 -0.350 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC001330510840 849959812 /nfs/dbraw/zinc/95/98/12/849959812.db2.gz XOILMTIBVLNZKC-MFKMUULPSA-N -1 0 372.399 -0.350 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)[C@H](OC)[C@@H]1CCOC1 ZINC001330510841 849960126 /nfs/dbraw/zinc/96/01/26/849960126.db2.gz XOILMTIBVLNZKC-ZWNOBZJWSA-N -1 0 372.399 -0.350 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)nn1 ZINC001330512987 849959819 /nfs/dbraw/zinc/95/98/19/849959819.db2.gz COVCTIKRTJTMDE-UHFFFAOYSA-N -1 0 356.385 -0.638 20 0 FBADRM COC1(C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C(=O)[O-])CCC1 ZINC001330513000 849959848 /nfs/dbraw/zinc/95/98/48/849959848.db2.gz CYXPKPZJVBUPNI-LLVKDONJSA-N -1 0 353.379 -0.293 20 0 FBADRM COC1(C[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C(=O)[O-])CCC1 ZINC001330513002 849960214 /nfs/dbraw/zinc/96/02/14/849960214.db2.gz CYXPKPZJVBUPNI-NSHDSACASA-N -1 0 353.379 -0.293 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)nnn1C ZINC001330513090 849960329 /nfs/dbraw/zinc/96/03/29/849960329.db2.gz DTAMHDAJZSBINC-UHFFFAOYSA-N -1 0 370.412 -0.329 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001330513154 849959783 /nfs/dbraw/zinc/95/97/83/849959783.db2.gz GEZORTKCLFWLQI-JTQLQIEISA-N -1 0 357.450 -0.691 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001330513255 849960104 /nfs/dbraw/zinc/96/01/04/849960104.db2.gz GEZORTKCLFWLQI-SNVBAGLBSA-N -1 0 357.450 -0.691 20 0 FBADRM COc1cc(CS(=O)(=O)[N-]C(=O)Cc2nc3ncccn3n2)sn1 ZINC001330513428 849959839 /nfs/dbraw/zinc/95/98/39/849959839.db2.gz KNFSHJNVNZXKKL-UHFFFAOYSA-N -1 0 368.400 -0.222 20 0 FBADRM CO[C@@H]1CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)[C@@H](C(=O)[O-])C1 ZINC001330513532 849960309 /nfs/dbraw/zinc/96/03/09/849960309.db2.gz MYMPHGIBYCMTJS-GMTAPVOTSA-N -1 0 351.446 -0.003 20 0 FBADRM CO[C@@H]1CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)[C@H](C(=O)[O-])C1 ZINC001330513533 849960022 /nfs/dbraw/zinc/96/00/22/849960022.db2.gz MYMPHGIBYCMTJS-MXWKQRLJSA-N -1 0 351.446 -0.003 20 0 FBADRM CO[C@@H]1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)[C@@H](C(=O)[O-])C1 ZINC001330513534 849960966 /nfs/dbraw/zinc/96/09/66/849960966.db2.gz MYMPHGIBYCMTJS-OUAUKWLOSA-N -1 0 351.446 -0.003 20 0 FBADRM CO[C@@H]1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)[C@H](C(=O)[O-])C1 ZINC001330513535 849960820 /nfs/dbraw/zinc/96/08/20/849960820.db2.gz MYMPHGIBYCMTJS-VWYCJHECSA-N -1 0 351.446 -0.003 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cn(C2CCOCC2)nn1 ZINC001330513665 849960955 /nfs/dbraw/zinc/96/09/55/849960955.db2.gz OHDZUAHYSFDQFK-UHFFFAOYSA-N -1 0 362.408 -0.649 20 0 FBADRM COC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)CC1 ZINC001330514054 849960788 /nfs/dbraw/zinc/96/07/88/849960788.db2.gz TZLPGQGXKUYGRU-UHFFFAOYSA-N -1 0 373.408 -0.127 20 0 FBADRM CO[C@H]1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)[C@H](C(=O)[O-])C1 ZINC001330514782 849960961 /nfs/dbraw/zinc/96/09/61/849960961.db2.gz ZHNWIIQLOXUZCV-AAEUAGOBSA-N -1 0 356.400 -0.033 20 0 FBADRM CO[C@@H]1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)[C@@H](C(=O)[O-])C1 ZINC001330514784 849961280 /nfs/dbraw/zinc/96/12/80/849961280.db2.gz ZHNWIIQLOXUZCV-DGCLKSJQSA-N -1 0 356.400 -0.033 20 0 FBADRM CO[C@H]1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)[C@@H](C(=O)[O-])C1 ZINC001330514788 849960937 /nfs/dbraw/zinc/96/09/37/849960937.db2.gz ZHNWIIQLOXUZCV-WCQYABFASA-N -1 0 356.400 -0.033 20 0 FBADRM CO[C@@H]1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)[C@H](C(=O)[O-])C1 ZINC001330514790 849960811 /nfs/dbraw/zinc/96/08/11/849960811.db2.gz ZHNWIIQLOXUZCV-YPMHNXCESA-N -1 0 356.400 -0.033 20 0 FBADRM Cn1ncc(I)c1C(=O)NCCc1nc(=O)o[n-]1 ZINC001330551608 849968216 /nfs/dbraw/zinc/96/82/16/849968216.db2.gz IZCNMDVEUKHMME-UHFFFAOYSA-N -1 0 363.115 -0.327 20 0 FBADRM CN1C[C@H](NC(=O)C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)CC1=O ZINC001330574060 849971372 /nfs/dbraw/zinc/97/13/72/849971372.db2.gz XFPPZKFSFWPYAY-AMIZOPFISA-N -1 0 364.324 -0.997 20 0 FBADRM CN1C[C@@H](NC(=O)C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)CC1=O ZINC001330574061 849970849 /nfs/dbraw/zinc/97/08/49/849970849.db2.gz XFPPZKFSFWPYAY-ISVAXAHUSA-N -1 0 364.324 -0.997 20 0 FBADRM CN1C[C@H](NC(=O)C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)CC1=O ZINC001330574062 849971120 /nfs/dbraw/zinc/97/11/20/849971120.db2.gz XFPPZKFSFWPYAY-OQPBUACISA-N -1 0 364.324 -0.997 20 0 FBADRM CN1C[C@@H](NC(=O)C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)CC1=O ZINC001330574063 849971203 /nfs/dbraw/zinc/97/12/03/849971203.db2.gz XFPPZKFSFWPYAY-SDBXPKJASA-N -1 0 364.324 -0.997 20 0 FBADRM O=C([O-])CS(=O)(=O)CCN1CCn2ncc(Br)c2C1 ZINC001330581194 849972422 /nfs/dbraw/zinc/97/24/22/849972422.db2.gz HKINWLULWWYMDI-UHFFFAOYSA-N -1 0 352.210 -0.039 20 0 FBADRM O=C([O-])CCC1CCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)CC1 ZINC001330594666 849974036 /nfs/dbraw/zinc/97/40/36/849974036.db2.gz NXUCREVGRAXKJG-AWEZNQCLSA-N -1 0 353.419 -0.367 20 0 FBADRM O=C([O-])CCC1CCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)CC1 ZINC001330594667 849974108 /nfs/dbraw/zinc/97/41/08/849974108.db2.gz NXUCREVGRAXKJG-CQSZACIVSA-N -1 0 353.419 -0.367 20 0 FBADRM CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)cc2)C1 ZINC001330615132 849976471 /nfs/dbraw/zinc/97/64/71/849976471.db2.gz PBNZAWWEOZKZMC-HNNXBMFYSA-N -1 0 353.400 -0.151 20 0 FBADRM CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)cc2)C1 ZINC001330615135 849976360 /nfs/dbraw/zinc/97/63/60/849976360.db2.gz PBNZAWWEOZKZMC-OAHLLOKOSA-N -1 0 353.400 -0.151 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CC1(CS(C)(=O)=O)CC1)OC ZINC001330621816 849977545 /nfs/dbraw/zinc/97/75/45/849977545.db2.gz MTLAYFKFUOHGJC-JTQLQIEISA-N -1 0 357.450 -0.691 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CC1(CS(C)(=O)=O)CC1)OC ZINC001330621820 849977165 /nfs/dbraw/zinc/97/71/65/849977165.db2.gz MTLAYFKFUOHGJC-SNVBAGLBSA-N -1 0 357.450 -0.691 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(C)s1)OC ZINC001330622345 849977359 /nfs/dbraw/zinc/97/73/59/849977359.db2.gz QPYDKGCSNFBRLE-JTQLQIEISA-N -1 0 364.445 -0.106 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(C)s1)OC ZINC001330622351 849977576 /nfs/dbraw/zinc/97/75/76/849977576.db2.gz QPYDKGCSNFBRLE-SNVBAGLBSA-N -1 0 364.445 -0.106 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCn2ncc(Br)c2C1 ZINC001330643925 849980515 /nfs/dbraw/zinc/98/05/15/849980515.db2.gz ILZSHQHZPFNYPU-UHFFFAOYSA-N -1 0 374.195 -0.828 20 0 FBADRM CCOC(=O)C(C)(C)O[N-]C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC001330663137 849982831 /nfs/dbraw/zinc/98/28/31/849982831.db2.gz AFZHWDGNJKUZTM-SECBINFHSA-N -1 0 362.408 -0.524 20 0 FBADRM CCOC(=O)C(C)(C)O[N-]C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC001330663139 849982811 /nfs/dbraw/zinc/98/28/11/849982811.db2.gz AFZHWDGNJKUZTM-VIFPVBQESA-N -1 0 362.408 -0.524 20 0 FBADRM CCn1cncc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001330673961 849983478 /nfs/dbraw/zinc/98/34/78/849983478.db2.gz DJAZUQHCKNCDRQ-SECBINFHSA-N -1 0 351.406 -0.835 20 0 FBADRM CCn1cncc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001330673962 849983468 /nfs/dbraw/zinc/98/34/68/849983468.db2.gz DJAZUQHCKNCDRQ-VIFPVBQESA-N -1 0 351.406 -0.835 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N(CCC(=O)[O-])Cc1cccnc1 ZINC001330674353 849983682 /nfs/dbraw/zinc/98/36/82/849983682.db2.gz IGGAQKWHCUMOOG-UHFFFAOYSA-N -1 0 350.418 -0.267 20 0 FBADRM Cc1noc2ncc(S(=O)(=O)N[C@H](CN3CCOCC3)C(=O)[O-])cc12 ZINC001330674543 849983772 /nfs/dbraw/zinc/98/37/72/849983772.db2.gz JYFYXCPPVAMRBV-GFCCVEGCSA-N -1 0 370.387 -0.405 20 0 FBADRM Cc1noc2ncc(S(=O)(=O)N[C@@H](CN3CCOCC3)C(=O)[O-])cc12 ZINC001330674544 849983331 /nfs/dbraw/zinc/98/33/31/849983331.db2.gz JYFYXCPPVAMRBV-LBPRGKRZSA-N -1 0 370.387 -0.405 20 0 FBADRM CC(=O)N1CCc2sc(S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])cc2C1 ZINC001330674749 849983647 /nfs/dbraw/zinc/98/36/47/849983647.db2.gz LISLILOFGLSUIN-MNOVXSKESA-N -1 0 374.440 -0.139 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001330674770 845879473 /nfs/dbraw/zinc/87/94/73/845879473.db2.gz LQXXVQMVFKQHHA-UHFFFAOYSA-N -1 0 354.406 -0.944 20 0 FBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1cccc(-c2nnco2)c1 ZINC001330674861 849983716 /nfs/dbraw/zinc/98/37/16/849983716.db2.gz MULIMGWTFIRZDJ-BGJPBQGDSA-N -1 0 371.396 -0.057 20 0 FBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1cccc(-c2nnco2)c1 ZINC001330674862 849983761 /nfs/dbraw/zinc/98/37/61/849983761.db2.gz MULIMGWTFIRZDJ-BSNNYGBQSA-N -1 0 371.396 -0.057 20 0 FBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)c1cccc(-c2nnco2)c1 ZINC001330674863 849983752 /nfs/dbraw/zinc/98/37/52/849983752.db2.gz MULIMGWTFIRZDJ-QVQLBTGDSA-N -1 0 371.396 -0.057 20 0 FBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1cccc(-c2nnco2)c1 ZINC001330674864 849983846 /nfs/dbraw/zinc/98/38/46/849983846.db2.gz MULIMGWTFIRZDJ-RULNZOCKSA-N -1 0 371.396 -0.057 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(Cc2cnc(C(=O)[O-])cn2)CC1 ZINC001330675233 849984791 /nfs/dbraw/zinc/98/47/91/849984791.db2.gz QWSZDKSDFVBYHO-UHFFFAOYSA-N -1 0 357.436 -0.121 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)c[nH]1 ZINC001330675650 849984853 /nfs/dbraw/zinc/98/48/53/849984853.db2.gz UDNFWZPRKSQBRL-GFCCVEGCSA-N -1 0 364.401 -0.709 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c[nH]1 ZINC001330675651 849984862 /nfs/dbraw/zinc/98/48/62/849984862.db2.gz UDNFWZPRKSQBRL-LBPRGKRZSA-N -1 0 364.401 -0.709 20 0 FBADRM CCn1nccc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001330676117 849984679 /nfs/dbraw/zinc/98/46/79/849984679.db2.gz ZTHKJXIPEUXBMY-SECBINFHSA-N -1 0 351.406 -0.835 20 0 FBADRM CCn1nccc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001330676118 849984705 /nfs/dbraw/zinc/98/47/05/849984705.db2.gz ZTHKJXIPEUXBMY-VIFPVBQESA-N -1 0 351.406 -0.835 20 0 FBADRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cncn2C)C1 ZINC001330676128 849984534 /nfs/dbraw/zinc/98/45/34/849984534.db2.gz ZYYHYYCNWWLSPL-DCAQKATOSA-N -1 0 358.420 -0.673 20 0 FBADRM C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cncn2C)C1 ZINC001330676129 849984649 /nfs/dbraw/zinc/98/46/49/849984649.db2.gz ZYYHYYCNWWLSPL-VWYCJHECSA-N -1 0 358.420 -0.673 20 0 FBADRM O=C([N-]OCCN1CCCC1=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001330685051 849985902 /nfs/dbraw/zinc/98/59/02/849985902.db2.gz YLYZFWZFVNVWHT-BDAKNGLRSA-N -1 0 358.338 -0.120 20 0 FBADRM O=C([N-]OCCN1CCCC1=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001330685052 849985815 /nfs/dbraw/zinc/98/58/15/849985815.db2.gz YLYZFWZFVNVWHT-DTWKUNHWSA-N -1 0 358.338 -0.120 20 0 FBADRM O=C([N-]OCCN1CCCC1=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001330685054 849985607 /nfs/dbraw/zinc/98/56/07/849985607.db2.gz YLYZFWZFVNVWHT-IUCAKERBSA-N -1 0 358.338 -0.120 20 0 FBADRM O=C([N-]OCCN1CCCC1=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001330685056 849985797 /nfs/dbraw/zinc/98/57/97/849985797.db2.gz YLYZFWZFVNVWHT-RKDXNWHRSA-N -1 0 358.338 -0.120 20 0 FBADRM CN(C)C(=O)CN1CCN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC001330687496 849985808 /nfs/dbraw/zinc/98/58/08/849985808.db2.gz KJMXNZIKUAESDV-UHFFFAOYSA-N -1 0 369.443 -0.292 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)c3cc(=O)n(C)[n-]3)CC2)cn1C ZINC001330703567 849988926 /nfs/dbraw/zinc/98/89/26/849988926.db2.gz SEFNPUHNFYEOQQ-UHFFFAOYSA-N -1 0 368.419 -0.686 20 0 FBADRM O=C([N-]OC1CCOCC1)C(=O)NCCN1C[C@H]2CCCCN2C1=O ZINC001330718713 849991065 /nfs/dbraw/zinc/99/10/65/849991065.db2.gz PBQYXLLXDQKIQO-GFCCVEGCSA-N -1 0 354.407 -0.381 20 0 FBADRM O=C([N-]OC1CCOCC1)C(=O)NCCN1C[C@@H]2CCCCN2C1=O ZINC001330718714 849990653 /nfs/dbraw/zinc/99/06/53/849990653.db2.gz PBQYXLLXDQKIQO-LBPRGKRZSA-N -1 0 354.407 -0.381 20 0 FBADRM CN(Cc1cnn(C)c1)C(=O)Cn1cc(C[N-]C(=O)C(F)(F)F)nn1 ZINC001330783941 850000572 /nfs/dbraw/zinc/00/05/72/850000572.db2.gz STEZQVLVTIKQAT-UHFFFAOYSA-N -1 0 359.312 -0.151 20 0 FBADRM CN(C[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1)S(C)(=O)=O ZINC001330817057 850004254 /nfs/dbraw/zinc/00/42/54/850004254.db2.gz GLYZOOZWPDMDJF-JTQLQIEISA-N -1 0 359.408 -0.894 20 0 FBADRM CN(C[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1)S(C)(=O)=O ZINC001330817067 850004741 /nfs/dbraw/zinc/00/47/41/850004741.db2.gz GLYZOOZWPDMDJF-SNVBAGLBSA-N -1 0 359.408 -0.894 20 0 FBADRM CNS(=O)(=O)c1cc(NC(=O)COCc2nncn2C)ccc1[O-] ZINC001330819137 850004862 /nfs/dbraw/zinc/00/48/62/850004862.db2.gz XGXNDCNYBQJJSH-UHFFFAOYSA-N -1 0 355.376 -0.416 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)NCCOCCF)C1 ZINC001330823486 850004411 /nfs/dbraw/zinc/00/44/11/850004411.db2.gz JKWIDEAFMBBCNK-GFCCVEGCSA-N -1 0 357.304 -0.242 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)NCCOCCF)C1 ZINC001330823489 850004031 /nfs/dbraw/zinc/00/40/31/850004031.db2.gz JKWIDEAFMBBCNK-LBPRGKRZSA-N -1 0 357.304 -0.242 20 0 FBADRM CON(C)C(=O)C1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC001330829552 850005745 /nfs/dbraw/zinc/00/57/45/850005745.db2.gz AVNSFHXEZPQTNR-UHFFFAOYSA-N -1 0 371.415 -0.088 20 0 FBADRM CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001330852083 850008231 /nfs/dbraw/zinc/00/82/31/850008231.db2.gz ZORDVSVXFIHLCM-SECBINFHSA-N -1 0 351.363 -0.362 20 0 FBADRM CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001330852084 850008384 /nfs/dbraw/zinc/00/83/84/850008384.db2.gz ZORDVSVXFIHLCM-VIFPVBQESA-N -1 0 351.363 -0.362 20 0 FBADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCCNC(=O)C2)c1 ZINC001330917281 850015216 /nfs/dbraw/zinc/01/52/16/850015216.db2.gz STNXDPJUWFLWRJ-UHFFFAOYSA-N -1 0 368.415 -0.021 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)NC[C@H]2CCCO2)C1 ZINC001330940105 850018341 /nfs/dbraw/zinc/01/83/41/850018341.db2.gz DVSAUSAWFRNAED-NOZJJQNGSA-N -1 0 351.325 -0.049 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)NC[C@H]2CCCO2)C1 ZINC001330940106 850018429 /nfs/dbraw/zinc/01/84/29/850018429.db2.gz DVSAUSAWFRNAED-RNCFNFMXSA-N -1 0 351.325 -0.049 20 0 FBADRM O=C(CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC001330963147 850021456 /nfs/dbraw/zinc/02/14/56/850021456.db2.gz LSJVHTCMNWGTTB-LLVKDONJSA-N -1 0 354.384 -0.417 20 0 FBADRM O=C(CO[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC001330963148 850021309 /nfs/dbraw/zinc/02/13/09/850021309.db2.gz LSJVHTCMNWGTTB-NSHDSACASA-N -1 0 354.384 -0.417 20 0 FBADRM CCn1ncn([N-]C(=O)c2cn(CCO)nc2C2CCOCC2)c1=O ZINC001331000409 850023371 /nfs/dbraw/zinc/02/33/71/850023371.db2.gz AWXDHGDHPFAISZ-UHFFFAOYSA-N -1 0 350.379 -0.469 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC001331004902 850024499 /nfs/dbraw/zinc/02/44/99/850024499.db2.gz YLANIGQHPSRYEO-WDEREUQCSA-N -1 0 362.415 -0.021 20 0 FBADRM O=C(NCc1ccc(O)c(Br)c1)C(=O)N[C@H]1CCNC1=O ZINC001331009738 850024127 /nfs/dbraw/zinc/02/41/27/850024127.db2.gz LTJOWFTVTRKHCI-VIFPVBQESA-N -1 0 356.176 -0.224 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1)N1CCOCC1 ZINC001331020628 850026138 /nfs/dbraw/zinc/02/61/38/850026138.db2.gz FXROFFOVYOWUNL-KBPBESRZSA-N -1 0 355.435 -0.217 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1)N1CCOCC1 ZINC001331020629 850026633 /nfs/dbraw/zinc/02/66/33/850026633.db2.gz FXROFFOVYOWUNL-UONOGXRCSA-N -1 0 355.435 -0.217 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NCCS(=O)(=O)CC(F)(F)F ZINC001331072959 850033947 /nfs/dbraw/zinc/03/39/47/850033947.db2.gz NQWQZKOGVSAXBB-MRVPVSSYSA-N -1 0 362.326 -0.836 20 0 FBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NCCS(=O)(=O)CC(F)(F)F ZINC001331072960 850033665 /nfs/dbraw/zinc/03/36/65/850033665.db2.gz NQWQZKOGVSAXBB-QMMMGPOBSA-N -1 0 362.326 -0.836 20 0 FBADRM CCC[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCN1CCOC ZINC001331074136 850033729 /nfs/dbraw/zinc/03/37/29/850033729.db2.gz IPWOXBMWGYEWSN-IHRRRGAJSA-N -1 0 355.435 -0.075 20 0 FBADRM CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCN1CCOC ZINC001331074137 850033900 /nfs/dbraw/zinc/03/39/00/850033900.db2.gz IPWOXBMWGYEWSN-MGPQQGTHSA-N -1 0 355.435 -0.075 20 0 FBADRM CCS(=O)(=O)CCN(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001331153908 850044344 /nfs/dbraw/zinc/04/43/44/850044344.db2.gz OGUNCMIOJXKODT-UHFFFAOYSA-N -1 0 350.418 -0.454 20 0 FBADRM CS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC001331155523 850046010 /nfs/dbraw/zinc/04/60/10/850046010.db2.gz IINLKKYKQDBMLW-JTQLQIEISA-N -1 0 362.429 -0.311 20 0 FBADRM CS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC001331155541 850045869 /nfs/dbraw/zinc/04/58/69/850045869.db2.gz IINLKKYKQDBMLW-SNVBAGLBSA-N -1 0 362.429 -0.311 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cccc(N2CCNC2=O)c1 ZINC001331207843 850052461 /nfs/dbraw/zinc/05/24/61/850052461.db2.gz KXEUHCOGSMBIOX-UHFFFAOYSA-N -1 0 354.388 -0.477 20 0 FBADRM CCc1cc(=O)n2[nH]c(NC(=O)[C@H]3CCCN3S(C)(=O)=O)nc2n1 ZINC001331211212 850052911 /nfs/dbraw/zinc/05/29/11/850052911.db2.gz SKPLUGCFJRLXPC-SECBINFHSA-N -1 0 354.392 -0.658 20 0 FBADRM CCc1cc(=O)n2[nH]c(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)nc2n1 ZINC001331211213 850052430 /nfs/dbraw/zinc/05/24/30/850052430.db2.gz SKPLUGCFJRLXPC-VIFPVBQESA-N -1 0 354.392 -0.658 20 0 FBADRM Cn1ccnc1CNC(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001331212324 850053382 /nfs/dbraw/zinc/05/33/82/850053382.db2.gz JVPCDXZLEVPKEX-CYBMUJFWSA-N -1 0 361.324 -0.294 20 0 FBADRM Cn1ccnc1CNC(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001331212325 850053823 /nfs/dbraw/zinc/05/38/23/850053823.db2.gz JVPCDXZLEVPKEX-ZDUSSCGKSA-N -1 0 361.324 -0.294 20 0 FBADRM CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC001331228815 850054954 /nfs/dbraw/zinc/05/49/54/850054954.db2.gz HFMQCKGHAVLIAF-UHFFFAOYSA-N -1 0 355.376 -0.507 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)COCc2ccccn2)cc1C(N)=O ZINC001331267440 850059951 /nfs/dbraw/zinc/05/99/51/850059951.db2.gz KJRBWAIFCTWNEU-UHFFFAOYSA-N -1 0 352.372 -0.459 20 0 FBADRM CN(CC(=O)N1CCOCC1)C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001331298637 850062422 /nfs/dbraw/zinc/06/24/22/850062422.db2.gz WTHBXUNRLOJVQJ-UHFFFAOYSA-N -1 0 356.404 -0.616 20 0 FBADRM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)C(=O)NCCCCC(=O)[O-])C1 ZINC001331319590 850064837 /nfs/dbraw/zinc/06/48/37/850064837.db2.gz OHSCMHKKXNZGCN-LLVKDONJSA-N -1 0 363.436 -0.855 20 0 FBADRM CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)NCCCCC(=O)[O-])C1 ZINC001331319598 850065081 /nfs/dbraw/zinc/06/50/81/850065081.db2.gz OHSCMHKKXNZGCN-NSHDSACASA-N -1 0 363.436 -0.855 20 0 FBADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1cc(Br)c[nH]c1=O ZINC001331343274 850066773 /nfs/dbraw/zinc/06/67/73/850066773.db2.gz DHJZHXLOBDPNOT-UHFFFAOYSA-N -1 0 366.193 -0.144 20 0 FBADRM COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)CCCCC(=O)[O-] ZINC001331346035 850067087 /nfs/dbraw/zinc/06/70/87/850067087.db2.gz UBBLRKQWXVNLLR-UWVGGRQHSA-N -1 0 355.347 -0.674 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cn1 ZINC001331431371 850076496 /nfs/dbraw/zinc/07/64/96/850076496.db2.gz CEMMINMFZMOEAW-JTQLQIEISA-N -1 0 362.433 -0.783 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cn1 ZINC001331431373 850077116 /nfs/dbraw/zinc/07/71/16/850077116.db2.gz CEMMINMFZMOEAW-SNVBAGLBSA-N -1 0 362.433 -0.783 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)c2noc3c2COCC3)c(C)nn1C ZINC001331465695 850079895 /nfs/dbraw/zinc/07/98/95/850079895.db2.gz DUSMEHVGTNVXGB-UHFFFAOYSA-N -1 0 356.360 -0.083 20 0 FBADRM CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC001331479147 850081068 /nfs/dbraw/zinc/08/10/68/850081068.db2.gz WEXJJEZSRNBLOP-KBPBESRZSA-N -1 0 355.435 -0.217 20 0 FBADRM CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC001331479149 850081138 /nfs/dbraw/zinc/08/11/38/850081138.db2.gz WEXJJEZSRNBLOP-UONOGXRCSA-N -1 0 355.435 -0.217 20 0 FBADRM CN(C[C@@H](O)CN1CCOCC1)C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001331486284 850081916 /nfs/dbraw/zinc/08/19/16/850081916.db2.gz CLJZEDRVKUUTHI-CYBMUJFWSA-N -1 0 372.447 -0.782 20 0 FBADRM CN(C[C@H](O)CN1CCOCC1)C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001331486295 850081726 /nfs/dbraw/zinc/08/17/26/850081726.db2.gz CLJZEDRVKUUTHI-ZDUSSCGKSA-N -1 0 372.447 -0.782 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)Cc1ccc(C(N)=O)nc1 ZINC001331503956 850083211 /nfs/dbraw/zinc/08/32/11/850083211.db2.gz MBGKNXYULXGXLZ-UHFFFAOYSA-N -1 0 351.388 -0.422 20 0 FBADRM CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCN1CCOC ZINC001331522676 850084473 /nfs/dbraw/zinc/08/44/73/850084473.db2.gz IPWOXBMWGYEWSN-HZSPNIEDSA-N -1 0 355.435 -0.075 20 0 FBADRM CCC[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCN1CCOC ZINC001331522677 850084656 /nfs/dbraw/zinc/08/46/56/850084656.db2.gz IPWOXBMWGYEWSN-MJBXVCDLSA-N -1 0 355.435 -0.075 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC001331524084 850084295 /nfs/dbraw/zinc/08/42/95/850084295.db2.gz RDVFZJALMRNSFR-RISCZKNCSA-N -1 0 369.399 -0.390 20 0 FBADRM CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cncc(N2CCCC2=O)c1 ZINC001331524152 850084790 /nfs/dbraw/zinc/08/47/90/850084790.db2.gz SSSLZRNYZMNACR-UHFFFAOYSA-N -1 0 355.372 -0.169 20 0 FBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)O1 ZINC001331524743 850084260 /nfs/dbraw/zinc/08/42/60/850084260.db2.gz XNARKDHXLMTCOP-MNOVXSKESA-N -1 0 357.340 -0.059 20 0 FBADRM CN(C)S(=O)(=O)Cc1noc(-c2ccc([N-]S(C)(=O)=O)nc2)n1 ZINC001331532718 850085200 /nfs/dbraw/zinc/08/52/00/850085200.db2.gz MBDXUCZTYPGYFO-UHFFFAOYSA-N -1 0 361.405 -0.106 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)c3cn4c(n3)COCC4)cnc21 ZINC001331538572 850086271 /nfs/dbraw/zinc/08/62/71/850086271.db2.gz KQIBEUMCZCJOLM-UHFFFAOYSA-N -1 0 362.371 -0.186 20 0 FBADRM CCOC(=O)CN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)N(C)CC(F)(F)F ZINC001331538639 850086233 /nfs/dbraw/zinc/08/62/33/850086233.db2.gz BJBQYNULRXUWNP-MRVPVSSYSA-N -1 0 363.358 -0.275 20 0 FBADRM CCOC(=O)CN(C)S(=O)(=O)[N-]C(=O)[C@H](C)N(C)CC(F)(F)F ZINC001331538642 850086247 /nfs/dbraw/zinc/08/62/47/850086247.db2.gz BJBQYNULRXUWNP-QMMMGPOBSA-N -1 0 363.358 -0.275 20 0 FBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)c2nc(Cl)cs2)C1=O ZINC001331538729 850086638 /nfs/dbraw/zinc/08/66/38/850086638.db2.gz LYKUDVUTEOSKJT-UHFFFAOYSA-N -1 0 352.781 -0.505 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(Cn2ccnn2)cc1 ZINC001331543844 850086454 /nfs/dbraw/zinc/08/64/54/850086454.db2.gz WQHNHSWVTBYACW-UHFFFAOYSA-N -1 0 351.388 -0.478 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCC2(OCCO)CCOCC2)cn1 ZINC001331559210 850087354 /nfs/dbraw/zinc/08/73/54/850087354.db2.gz IXIFFPAGKRLZPI-UHFFFAOYSA-N -1 0 373.431 -0.259 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O ZINC001331693559 850110754 /nfs/dbraw/zinc/11/07/54/850110754.db2.gz RLKXNSWFZVPHGO-UHFFFAOYSA-N -1 0 364.468 -0.501 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC001331694483 850110274 /nfs/dbraw/zinc/11/02/74/850110274.db2.gz AXUITPBTZVBZSQ-NDMJEZRESA-N -1 0 369.399 -0.392 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC001331694485 850110536 /nfs/dbraw/zinc/11/05/36/850110536.db2.gz AXUITPBTZVBZSQ-XWIASGKRSA-N -1 0 369.399 -0.392 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C(C)C ZINC001331695046 850110424 /nfs/dbraw/zinc/11/04/24/850110424.db2.gz FSBAULLTWKNRSG-MRVPVSSYSA-N -1 0 363.417 -0.105 20 0 FBADRM Cc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nn1C1CCOCC1 ZINC001331716368 850114475 /nfs/dbraw/zinc/11/44/75/850114475.db2.gz NZHAVBHUQUODET-UHFFFAOYSA-N -1 0 358.420 -0.261 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(S(=O)(=O)C[C@@H]3CCCCO3)CC2)CCOC1 ZINC001331728495 850116447 /nfs/dbraw/zinc/11/64/47/850116447.db2.gz AMEYYTUOPVUDJH-DZGCQCFKSA-N -1 0 362.448 -0.253 20 0 FBADRM O=C([O-])[C@]1(N2CCN(S(=O)(=O)C[C@H]3CCCCO3)CC2)CCOC1 ZINC001331728497 850116543 /nfs/dbraw/zinc/11/65/43/850116543.db2.gz AMEYYTUOPVUDJH-HIFRSBDPSA-N -1 0 362.448 -0.253 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(S(=O)(=O)C[C@H]3CCCCO3)CC2)CCOC1 ZINC001331728501 850116557 /nfs/dbraw/zinc/11/65/57/850116557.db2.gz AMEYYTUOPVUDJH-UKRRQHHQSA-N -1 0 362.448 -0.253 20 0 FBADRM O=C([O-])[C@]1(N2CCN(S(=O)(=O)C[C@@H]3CCCCO3)CC2)CCOC1 ZINC001331728504 850116430 /nfs/dbraw/zinc/11/64/30/850116430.db2.gz AMEYYTUOPVUDJH-ZFWWWQNUSA-N -1 0 362.448 -0.253 20 0 FBADRM COC[C@H](C)CS(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001331729406 850116315 /nfs/dbraw/zinc/11/63/15/850116315.db2.gz GPYJLMTYAWJXFH-GXTWGEPZSA-N -1 0 350.437 -0.540 20 0 FBADRM COC[C@H](C)CS(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001331729408 850116321 /nfs/dbraw/zinc/11/63/21/850116321.db2.gz GPYJLMTYAWJXFH-JSGCOSHPSA-N -1 0 350.437 -0.540 20 0 FBADRM COC[C@@H](C)CS(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001331729410 850116415 /nfs/dbraw/zinc/11/64/15/850116415.db2.gz GPYJLMTYAWJXFH-OCCSQVGLSA-N -1 0 350.437 -0.540 20 0 FBADRM COC[C@@H](C)CS(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001331729411 850116797 /nfs/dbraw/zinc/11/67/97/850116797.db2.gz GPYJLMTYAWJXFH-TZMCWYRMSA-N -1 0 350.437 -0.540 20 0 FBADRM CS(=O)(=O)c1cccnc1N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001331729807 850116264 /nfs/dbraw/zinc/11/62/64/850116264.db2.gz HGGNOKCXNGWNKD-HNNXBMFYSA-N -1 0 355.416 -0.149 20 0 FBADRM CS(=O)(=O)c1cccnc1N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001331729808 850116501 /nfs/dbraw/zinc/11/65/01/850116501.db2.gz HGGNOKCXNGWNKD-OAHLLOKOSA-N -1 0 355.416 -0.149 20 0 FBADRM CC(C)(C)n1nnc(CCN2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001331731215 850118048 /nfs/dbraw/zinc/11/80/48/850118048.db2.gz VCIHSKOMXWYGSO-INIZCTEOSA-N -1 0 352.439 -0.168 20 0 FBADRM CC(C)(C)n1nnc(CCN2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001331731217 850117621 /nfs/dbraw/zinc/11/76/21/850117621.db2.gz VCIHSKOMXWYGSO-MRXNPFEDSA-N -1 0 352.439 -0.168 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cn1 ZINC001331731555 850117615 /nfs/dbraw/zinc/11/76/15/850117615.db2.gz WFSYDSNEHPRVKP-HNNXBMFYSA-N -1 0 355.416 -0.060 20 0 FBADRM Cc1ccc(S(=O)(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)cn1 ZINC001331731563 850118042 /nfs/dbraw/zinc/11/80/42/850118042.db2.gz WFSYDSNEHPRVKP-OAHLLOKOSA-N -1 0 355.416 -0.060 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCCCCCS(C)(=O)=O)CC[C@@H]1C(=O)[O-] ZINC001331732033 850117514 /nfs/dbraw/zinc/11/75/14/850117514.db2.gz UMDGUFDNYFGSPL-NEPJUHHUSA-N -1 0 362.448 -0.113 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCCCCCS(C)(=O)=O)CC[C@H]1C(=O)[O-] ZINC001331732035 850117745 /nfs/dbraw/zinc/11/77/45/850117745.db2.gz UMDGUFDNYFGSPL-NWDGAFQWSA-N -1 0 362.448 -0.113 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)NCCCCCS(C)(=O)=O)CC[C@@H]1C(=O)[O-] ZINC001331732037 850117809 /nfs/dbraw/zinc/11/78/09/850117809.db2.gz UMDGUFDNYFGSPL-RYUDHWBXSA-N -1 0 362.448 -0.113 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)NCCCCCS(C)(=O)=O)CC[C@H]1C(=O)[O-] ZINC001331732038 850117534 /nfs/dbraw/zinc/11/75/34/850117534.db2.gz UMDGUFDNYFGSPL-VXGBXAGGSA-N -1 0 362.448 -0.113 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(C(=O)NC)cc1OC ZINC001331755554 850121419 /nfs/dbraw/zinc/12/14/19/850121419.db2.gz ATMYZLPQLHWMIZ-UHFFFAOYSA-N -1 0 352.347 -0.823 20 0 FBADRM CN(CCS(=O)(=O)CC(=O)[O-])CC(=O)Nc1ccc2c(c1)OCCO2 ZINC001331757019 850121170 /nfs/dbraw/zinc/12/11/70/850121170.db2.gz VMEVBXFHTIRACB-UHFFFAOYSA-N -1 0 372.399 -0.173 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]2C)n[nH]1 ZINC001331762131 850122435 /nfs/dbraw/zinc/12/24/35/850122435.db2.gz KLXZORXHGAYYCU-RKDXNWHRSA-N -1 0 351.454 -0.173 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CC[C@H]1C(=O)[O-] ZINC001331763360 850123641 /nfs/dbraw/zinc/12/36/41/850123641.db2.gz YMAJOTUVECOZTC-CHWSQXEVSA-N -1 0 355.435 -0.529 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CC[C@@H]1C(=O)[O-] ZINC001331763361 850123481 /nfs/dbraw/zinc/12/34/81/850123481.db2.gz YMAJOTUVECOZTC-OLZOCXBDSA-N -1 0 355.435 -0.529 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CC[C@H]1C(=O)[O-] ZINC001331763362 850123606 /nfs/dbraw/zinc/12/36/06/850123606.db2.gz YMAJOTUVECOZTC-QWHCGFSZSA-N -1 0 355.435 -0.529 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CC[C@@H]1C(=O)[O-] ZINC001331763363 850123846 /nfs/dbraw/zinc/12/38/46/850123846.db2.gz YMAJOTUVECOZTC-STQMWFEESA-N -1 0 355.435 -0.529 20 0 FBADRM NS(=O)(=O)CCCNC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001331790467 850129138 /nfs/dbraw/zinc/12/91/38/850129138.db2.gz QYZAJGFZNNGARY-UHFFFAOYSA-N -1 0 357.310 -0.134 20 0 FBADRM COCCOCCN(CCO)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001331808681 850132511 /nfs/dbraw/zinc/13/25/11/850132511.db2.gz VRUDHGWUFSHUQT-UHFFFAOYSA-N -1 0 362.404 -0.863 20 0 FBADRM CCO[C@H](C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1)[C@H]1CCOC1 ZINC001331818047 850133281 /nfs/dbraw/zinc/13/32/81/850133281.db2.gz HCTUBPLAHOOGPI-GRDNDAEWSA-N -1 0 356.419 -0.184 20 0 FBADRM CCO[C@H](C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1)[C@@H]1CCOC1 ZINC001331818049 850133150 /nfs/dbraw/zinc/13/31/50/850133150.db2.gz HCTUBPLAHOOGPI-JKIFEVAISA-N -1 0 356.419 -0.184 20 0 FBADRM CCO[C@H](C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1)[C@@H]1CCOC1 ZINC001331818050 850133794 /nfs/dbraw/zinc/13/37/94/850133794.db2.gz HCTUBPLAHOOGPI-KEYYUXOJSA-N -1 0 356.419 -0.184 20 0 FBADRM CCO[C@H](C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1)[C@H]1CCOC1 ZINC001331818051 850133100 /nfs/dbraw/zinc/13/31/00/850133100.db2.gz HCTUBPLAHOOGPI-ZQIUZPCESA-N -1 0 356.419 -0.184 20 0 FBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001331820399 850133749 /nfs/dbraw/zinc/13/37/49/850133749.db2.gz YBXTXPJAGSDTFT-PXAZEXFGSA-N -1 0 355.435 -0.075 20 0 FBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001331820400 850133761 /nfs/dbraw/zinc/13/37/61/850133761.db2.gz YBXTXPJAGSDTFT-SJCJKPOMSA-N -1 0 355.435 -0.075 20 0 FBADRM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001331820401 850133611 /nfs/dbraw/zinc/13/36/11/850133611.db2.gz YBXTXPJAGSDTFT-SJKOYZFVSA-N -1 0 355.435 -0.075 20 0 FBADRM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001331820402 850133481 /nfs/dbraw/zinc/13/34/81/850133481.db2.gz YBXTXPJAGSDTFT-YVEFUNNKSA-N -1 0 355.435 -0.075 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)C1 ZINC001331821925 850133318 /nfs/dbraw/zinc/13/33/18/850133318.db2.gz OSFQADDGVRIEQD-APPDUMDISA-N -1 0 351.403 -0.173 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)C1 ZINC001331821927 850133810 /nfs/dbraw/zinc/13/38/10/850133810.db2.gz OSFQADDGVRIEQD-DIFFPNOSSA-N -1 0 351.403 -0.173 20 0 FBADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)C1 ZINC001331821930 850133784 /nfs/dbraw/zinc/13/37/84/850133784.db2.gz OSFQADDGVRIEQD-GTNSWQLSSA-N -1 0 351.403 -0.173 20 0 FBADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)C1 ZINC001331821932 850133679 /nfs/dbraw/zinc/13/36/79/850133679.db2.gz OSFQADDGVRIEQD-PIGZYNQJSA-N -1 0 351.403 -0.173 20 0 FBADRM CCn1cncc1S(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001331825487 850133617 /nfs/dbraw/zinc/13/36/17/850133617.db2.gz CMBCMMBJVUKQRI-AWEZNQCLSA-N -1 0 358.420 -0.547 20 0 FBADRM CCn1cncc1S(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001331825490 850134730 /nfs/dbraw/zinc/13/47/30/850134730.db2.gz CMBCMMBJVUKQRI-CQSZACIVSA-N -1 0 358.420 -0.547 20 0 FBADRM O=C(CS[C@H]1CCS(=O)(=O)C1)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC001331826277 850134591 /nfs/dbraw/zinc/13/45/91/850134591.db2.gz IWGUDGRKECYNIQ-GWCFXTLKSA-N -1 0 351.446 -0.096 20 0 FBADRM O=C(CS[C@H]1CCS(=O)(=O)C1)NC[C@]1(C(=O)[O-])CCCOC1 ZINC001331826278 850135154 /nfs/dbraw/zinc/13/51/54/850135154.db2.gz IWGUDGRKECYNIQ-GXFFZTMASA-N -1 0 351.446 -0.096 20 0 FBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC001331826279 850134642 /nfs/dbraw/zinc/13/46/42/850134642.db2.gz IWGUDGRKECYNIQ-MFKMUULPSA-N -1 0 351.446 -0.096 20 0 FBADRM O=C(CS[C@@H]1CCS(=O)(=O)C1)NC[C@]1(C(=O)[O-])CCCOC1 ZINC001331826280 850134828 /nfs/dbraw/zinc/13/48/28/850134828.db2.gz IWGUDGRKECYNIQ-ZWNOBZJWSA-N -1 0 351.446 -0.096 20 0 FBADRM NS(=O)(=O)c1cccnc1N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001331827853 850135142 /nfs/dbraw/zinc/13/51/42/850135142.db2.gz UCMVVFZWXDYLOV-AWEZNQCLSA-N -1 0 356.404 -0.905 20 0 FBADRM NS(=O)(=O)c1cccnc1N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001331827855 850134459 /nfs/dbraw/zinc/13/44/59/850134459.db2.gz UCMVVFZWXDYLOV-CQSZACIVSA-N -1 0 356.404 -0.905 20 0 FBADRM C[C@H](C1CC1)N(C)S(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001331828133 850134683 /nfs/dbraw/zinc/13/46/83/850134683.db2.gz VTULZFNOBYHSKP-DOMZBBRYSA-N -1 0 361.464 -0.177 20 0 FBADRM C[C@H](C1CC1)N(C)S(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001331828137 850135093 /nfs/dbraw/zinc/13/50/93/850135093.db2.gz VTULZFNOBYHSKP-IUODEOHRSA-N -1 0 361.464 -0.177 20 0 FBADRM C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001331828141 850135047 /nfs/dbraw/zinc/13/50/47/850135047.db2.gz VTULZFNOBYHSKP-SWLSCSKDSA-N -1 0 361.464 -0.177 20 0 FBADRM C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001331828144 850134671 /nfs/dbraw/zinc/13/46/71/850134671.db2.gz VTULZFNOBYHSKP-WFASDCNBSA-N -1 0 361.464 -0.177 20 0 FBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001331828553 850135085 /nfs/dbraw/zinc/13/50/85/850135085.db2.gz ZAIFCIPGDBITDI-AWEZNQCLSA-N -1 0 358.420 -0.423 20 0 FBADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001331828554 850135160 /nfs/dbraw/zinc/13/51/60/850135160.db2.gz ZAIFCIPGDBITDI-CQSZACIVSA-N -1 0 358.420 -0.423 20 0 FBADRM CN(CC(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-])S(=O)(=O)c1cccnc1 ZINC001331828624 850134966 /nfs/dbraw/zinc/13/49/66/850134966.db2.gz YNJYDYIMDCWWLS-GWCFXTLKSA-N -1 0 357.388 -0.692 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001331828838 850134650 /nfs/dbraw/zinc/13/46/50/850134650.db2.gz ZYTVIMNVIGTRSM-CHWSQXEVSA-N -1 0 357.407 -0.595 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001331828840 850134818 /nfs/dbraw/zinc/13/48/18/850134818.db2.gz ZYTVIMNVIGTRSM-OLZOCXBDSA-N -1 0 357.407 -0.595 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001331828842 850134494 /nfs/dbraw/zinc/13/44/94/850134494.db2.gz ZYTVIMNVIGTRSM-QWHCGFSZSA-N -1 0 357.407 -0.595 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001331828844 850135148 /nfs/dbraw/zinc/13/51/48/850135148.db2.gz ZYTVIMNVIGTRSM-STQMWFEESA-N -1 0 357.407 -0.595 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]c1cnn(Cc2nnc3n2CCCC3)c1 ZINC001331833000 850135169 /nfs/dbraw/zinc/13/51/69/850135169.db2.gz FSEINQZVGDWKQX-UHFFFAOYSA-N -1 0 363.407 -0.212 20 0 FBADRM CC(C)(C)n1nnc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001331847658 850137295 /nfs/dbraw/zinc/13/72/95/850137295.db2.gz ZWFYOBHGLKHDMB-HNNXBMFYSA-N -1 0 352.395 -0.570 20 0 FBADRM CC(C)(C)n1nnc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001331847660 850137205 /nfs/dbraw/zinc/13/72/05/850137205.db2.gz ZWFYOBHGLKHDMB-OAHLLOKOSA-N -1 0 352.395 -0.570 20 0 FBADRM CSc1nc(=O)[nH]c(C)c1C(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC001331851592 850138292 /nfs/dbraw/zinc/13/82/92/850138292.db2.gz SIEFPABMBUSHIL-UHFFFAOYSA-N -1 0 361.449 -0.567 20 0 FBADRM O=C([O-])[C@]1(N2CCN(C(=O)[C@H]3CCCCS3(=O)=O)CC2)CCOC1 ZINC001331897249 850144831 /nfs/dbraw/zinc/14/48/31/850144831.db2.gz VSNHNOLTDPVOJW-DOMZBBRYSA-N -1 0 360.432 -0.658 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(C(=O)[C@H]3CCCCS3(=O)=O)CC2)CCOC1 ZINC001331897250 850144477 /nfs/dbraw/zinc/14/44/77/850144477.db2.gz VSNHNOLTDPVOJW-IUODEOHRSA-N -1 0 360.432 -0.658 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(C(=O)[C@@H]3CCCCS3(=O)=O)CC2)CCOC1 ZINC001331897253 850144938 /nfs/dbraw/zinc/14/49/38/850144938.db2.gz VSNHNOLTDPVOJW-SWLSCSKDSA-N -1 0 360.432 -0.658 20 0 FBADRM O=C([O-])[C@]1(N2CCN(C(=O)[C@@H]3CCCCS3(=O)=O)CC2)CCOC1 ZINC001331897255 850144963 /nfs/dbraw/zinc/14/49/63/850144963.db2.gz VSNHNOLTDPVOJW-WFASDCNBSA-N -1 0 360.432 -0.658 20 0 FBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001331897339 850144821 /nfs/dbraw/zinc/14/48/21/850144821.db2.gz WQNJSCXEJDALQF-AXFHLTTASA-N -1 0 368.477 -0.347 20 0 FBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001331897340 850144335 /nfs/dbraw/zinc/14/43/35/850144335.db2.gz WQNJSCXEJDALQF-DCAQKATOSA-N -1 0 368.477 -0.347 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC001331925719 850146597 /nfs/dbraw/zinc/14/65/97/850146597.db2.gz YVPSJICQBBBGCF-HNNXBMFYSA-N -1 0 362.448 -0.002 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC001331925721 850146247 /nfs/dbraw/zinc/14/62/47/850146247.db2.gz YVPSJICQBBBGCF-OAHLLOKOSA-N -1 0 362.448 -0.002 20 0 FBADRM COc1cc(C(=O)NCc2nnnn2C)cc([N-]S(C)(=O)=O)c1OC ZINC001331940002 850147176 /nfs/dbraw/zinc/14/71/76/850147176.db2.gz RFIALBPZVRXWQV-UHFFFAOYSA-N -1 0 370.391 -0.471 20 0 FBADRM COCCc1noc(CN(C)C(=O)C(=O)NCCC(C)(C)C(=O)[O-])n1 ZINC001331948498 850148718 /nfs/dbraw/zinc/14/87/18/850148718.db2.gz FKQJDNYZXQUGOF-UHFFFAOYSA-N -1 0 356.379 -0.166 20 0 FBADRM CO[C@]1(C(=O)[N-]S(=O)(=O)C2CCN(C(C)=O)CC2)CCSC1 ZINC001331949292 850148558 /nfs/dbraw/zinc/14/85/58/850148558.db2.gz XZEVQZDMZDYNIH-CYBMUJFWSA-N -1 0 350.462 -0.035 20 0 FBADRM CO[C@@]1(C(=O)[N-]S(=O)(=O)C2CCN(C(C)=O)CC2)CCSC1 ZINC001331949296 850148580 /nfs/dbraw/zinc/14/85/80/850148580.db2.gz XZEVQZDMZDYNIH-ZDUSSCGKSA-N -1 0 350.462 -0.035 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)NCc1nnc2n1CCOC2)C(=O)[O-] ZINC001331950686 850148587 /nfs/dbraw/zinc/14/85/87/850148587.db2.gz QWWHOXOJPJVVFH-UHFFFAOYSA-N -1 0 353.379 -0.568 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1)C(=O)[O-] ZINC001331951272 850149090 /nfs/dbraw/zinc/14/90/90/850149090.db2.gz UIBKPKLQWCLXTA-UHFFFAOYSA-N -1 0 356.423 -0.988 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])n1 ZINC001331951292 850150136 /nfs/dbraw/zinc/15/01/36/850150136.db2.gz UXNOLDQEDJCGTO-UHFFFAOYSA-N -1 0 353.379 -0.473 20 0 FBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)[C@H]2COCCN2CC(F)F)C1=O ZINC001331952560 850149831 /nfs/dbraw/zinc/14/98/31/850149831.db2.gz RSCJFTNYGIVQFG-GHMZBOCLSA-N -1 0 363.361 -0.466 20 0 FBADRM O=C([O-])CN1CCCC[C@@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1=O ZINC001331952561 850149800 /nfs/dbraw/zinc/14/98/00/850149800.db2.gz RSCJFTNYGIVQFG-MNOVXSKESA-N -1 0 363.361 -0.466 20 0 FBADRM O=C([O-])CN1CCCC[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1=O ZINC001331952562 850149869 /nfs/dbraw/zinc/14/98/69/850149869.db2.gz RSCJFTNYGIVQFG-QWRGUYRKSA-N -1 0 363.361 -0.466 20 0 FBADRM O=C([O-])CN1CCCC[C@H](NC(=O)[C@H]2COCCN2CC(F)F)C1=O ZINC001331952563 850149739 /nfs/dbraw/zinc/14/97/39/850149739.db2.gz RSCJFTNYGIVQFG-WDEREUQCSA-N -1 0 363.361 -0.466 20 0 FBADRM COCCNC(=O)CN1CCN(C(=O)C2(C(=O)[O-])CCSCC2)CC1 ZINC001331962540 850150101 /nfs/dbraw/zinc/15/01/01/850150101.db2.gz FYUBORFZFMVRSB-UHFFFAOYSA-N -1 0 373.475 -0.509 20 0 FBADRM CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CC1 ZINC001331963381 850149858 /nfs/dbraw/zinc/14/98/58/850149858.db2.gz OSNQHHHUJDSEBG-KBPBESRZSA-N -1 0 355.435 -0.075 20 0 FBADRM CC(C)NC(=O)CN1CCN(C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)CC1 ZINC001331963382 850150202 /nfs/dbraw/zinc/15/02/02/850150202.db2.gz OSNQHHHUJDSEBG-KGLIPLIRSA-N -1 0 355.435 -0.075 20 0 FBADRM CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CC1 ZINC001331963383 850149824 /nfs/dbraw/zinc/14/98/24/850149824.db2.gz OSNQHHHUJDSEBG-UONOGXRCSA-N -1 0 355.435 -0.075 20 0 FBADRM CC(C)NC(=O)CN1CCN(C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)CC1 ZINC001331963386 850150117 /nfs/dbraw/zinc/15/01/17/850150117.db2.gz OSNQHHHUJDSEBG-ZIAGYGMSSA-N -1 0 355.435 -0.075 20 0 FBADRM COC1(C)CN(C(=O)C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)C1 ZINC001331971405 850151180 /nfs/dbraw/zinc/15/11/80/850151180.db2.gz FSBXBXWENQFFIB-GFCCVEGCSA-N -1 0 351.325 -0.097 20 0 FBADRM COC1(C)CN(C(=O)C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)C1 ZINC001331971406 850151499 /nfs/dbraw/zinc/15/14/99/850151499.db2.gz FSBXBXWENQFFIB-LBPRGKRZSA-N -1 0 351.325 -0.097 20 0 FBADRM CNC(=O)CCN(C)C(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001332007873 850156511 /nfs/dbraw/zinc/15/65/11/850156511.db2.gz ZUALWCKPDGRZHC-CYBMUJFWSA-N -1 0 366.340 -0.750 20 0 FBADRM CNC(=O)CCN(C)C(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001332007874 850156502 /nfs/dbraw/zinc/15/65/02/850156502.db2.gz ZUALWCKPDGRZHC-ZDUSSCGKSA-N -1 0 366.340 -0.750 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)N2CC[C@](F)(CO)C2)C1 ZINC001332059210 850165362 /nfs/dbraw/zinc/16/53/62/850165362.db2.gz LPLDVUAPUVOJGF-CHWSQXEVSA-N -1 0 369.315 -0.411 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)N2CC[C@@](F)(CO)C2)C1 ZINC001332059213 850165768 /nfs/dbraw/zinc/16/57/68/850165768.db2.gz LPLDVUAPUVOJGF-OLZOCXBDSA-N -1 0 369.315 -0.411 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)N2CC[C@](F)(CO)C2)C1 ZINC001332059216 850165712 /nfs/dbraw/zinc/16/57/12/850165712.db2.gz LPLDVUAPUVOJGF-QWHCGFSZSA-N -1 0 369.315 -0.411 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)N2CC[C@@](F)(CO)C2)C1 ZINC001332059217 850165490 /nfs/dbraw/zinc/16/54/90/850165490.db2.gz LPLDVUAPUVOJGF-STQMWFEESA-N -1 0 369.315 -0.411 20 0 FBADRM O=C(CCNC(=O)c1cccs1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001332106719 850173315 /nfs/dbraw/zinc/17/33/15/850173315.db2.gz IYLUMWGPJLMSAO-UHFFFAOYSA-N -1 0 350.404 -0.109 20 0 FBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)CS[C@@H]3CCS(=O)(=O)C3)C2)nn1 ZINC001332114692 850174600 /nfs/dbraw/zinc/17/46/00/850174600.db2.gz UOCNNGCDIUNVIQ-NXEZZACHSA-N -1 0 374.444 -0.330 20 0 FBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)CS[C@H]3CCS(=O)(=O)C3)C2)nn1 ZINC001332114694 850174584 /nfs/dbraw/zinc/17/45/84/850174584.db2.gz UOCNNGCDIUNVIQ-UWVGGRQHSA-N -1 0 374.444 -0.330 20 0 FBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)CS[C@@H]3CCS(=O)(=O)C3)C2)nn1 ZINC001332114696 850174812 /nfs/dbraw/zinc/17/48/12/850174812.db2.gz UOCNNGCDIUNVIQ-VHSXEESVSA-N -1 0 374.444 -0.330 20 0 FBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)CS[C@H]3CCS(=O)(=O)C3)C2)nn1 ZINC001332114698 850174850 /nfs/dbraw/zinc/17/48/50/850174850.db2.gz UOCNNGCDIUNVIQ-ZJUUUORDSA-N -1 0 374.444 -0.330 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1 ZINC001332118883 850174705 /nfs/dbraw/zinc/17/47/05/850174705.db2.gz KDENLGPTOHNUGZ-CYBMUJFWSA-N -1 0 369.461 -0.293 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1 ZINC001332118884 850174608 /nfs/dbraw/zinc/17/46/08/850174608.db2.gz KDENLGPTOHNUGZ-ZDUSSCGKSA-N -1 0 369.461 -0.293 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CCOCC3)CC2)C1 ZINC001332118926 850174627 /nfs/dbraw/zinc/17/46/27/850174627.db2.gz HPCVZNDYMZCAEW-ZDUSSCGKSA-N -1 0 353.419 -0.367 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC001332119222 850174776 /nfs/dbraw/zinc/17/47/76/850174776.db2.gz JCCLRRWMANWBQS-KBPBESRZSA-N -1 0 353.419 -0.510 20 0 FBADRM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)C1 ZINC001332119555 850174641 /nfs/dbraw/zinc/17/46/41/850174641.db2.gz JCCLRRWMANWBQS-KGLIPLIRSA-N -1 0 353.419 -0.510 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H]3OCCC[C@H]3C2)C1 ZINC001332122340 850175735 /nfs/dbraw/zinc/17/57/35/850175735.db2.gz WJLWFMBMYAEBCA-AHIWAGSCSA-N -1 0 354.403 -0.036 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H]3OCCC[C@H]3C2)C1 ZINC001332122341 850175691 /nfs/dbraw/zinc/17/56/91/850175691.db2.gz WJLWFMBMYAEBCA-DCGLDWPTSA-N -1 0 354.403 -0.036 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)C1 ZINC001332122342 850175752 /nfs/dbraw/zinc/17/57/52/850175752.db2.gz WJLWFMBMYAEBCA-IGCXYCKISA-N -1 0 354.403 -0.036 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC001332122343 850175761 /nfs/dbraw/zinc/17/57/61/850175761.db2.gz WJLWFMBMYAEBCA-XNJGSVPQSA-N -1 0 354.403 -0.036 20 0 FBADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(C)CCNS(C)(=O)=O ZINC001332123964 850175948 /nfs/dbraw/zinc/17/59/48/850175948.db2.gz BUPILVBKABYJRO-UHFFFAOYSA-N -1 0 350.418 -0.137 20 0 FBADRM Cc1ccc(S(=O)(=O)N(C)CCNS(C)(=O)=O)cc1C(=O)[O-] ZINC001332124808 850176069 /nfs/dbraw/zinc/17/60/69/850176069.db2.gz MFKAAWVUOHEJHE-UHFFFAOYSA-N -1 0 350.418 -0.137 20 0 FBADRM COc1ccc(S(=O)(=O)N(C)CCNS(C)(=O)=O)cc1C(=O)[O-] ZINC001332125608 850175726 /nfs/dbraw/zinc/17/57/26/850175726.db2.gz RKFJFVZAMCXEDR-UHFFFAOYSA-N -1 0 366.417 -0.437 20 0 FBADRM CN(CCNS(C)(=O)=O)S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001332126238 850175545 /nfs/dbraw/zinc/17/55/45/850175545.db2.gz ZECYQECFEPCWTL-UHFFFAOYSA-N -1 0 368.408 -0.378 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(CC3CC3)CC2)C1 ZINC001332128605 850175940 /nfs/dbraw/zinc/17/59/40/850175940.db2.gz RCBHZJTZKJEAKA-KRWDZBQOSA-N -1 0 353.419 -0.510 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(CC3CC3)CC2)C1 ZINC001332128607 850175806 /nfs/dbraw/zinc/17/58/06/850175806.db2.gz RCBHZJTZKJEAKA-QGZVFWFLSA-N -1 0 353.419 -0.510 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001332134148 850177069 /nfs/dbraw/zinc/17/70/69/850177069.db2.gz BPJRVYPPIKUKHJ-CMPLNLGQSA-N -1 0 357.450 -0.390 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001332134151 850177030 /nfs/dbraw/zinc/17/70/30/850177030.db2.gz BPJRVYPPIKUKHJ-JQWIXIFHSA-N -1 0 357.450 -0.390 20 0 FBADRM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001332134152 850176676 /nfs/dbraw/zinc/17/66/76/850176676.db2.gz BPJRVYPPIKUKHJ-PWSUYJOCSA-N -1 0 357.450 -0.390 20 0 FBADRM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001332134153 850176685 /nfs/dbraw/zinc/17/66/85/850176685.db2.gz BPJRVYPPIKUKHJ-ZYHUDNBSSA-N -1 0 357.450 -0.390 20 0 FBADRM COCC[C@@H](NS(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC001332136352 850176606 /nfs/dbraw/zinc/17/66/06/850176606.db2.gz NQDQEFOULUNVAX-GFCCVEGCSA-N -1 0 365.429 -0.001 20 0 FBADRM COCC[C@H](NS(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC001332136354 850177062 /nfs/dbraw/zinc/17/70/62/850177062.db2.gz NQDQEFOULUNVAX-LBPRGKRZSA-N -1 0 365.429 -0.001 20 0 FBADRM O=C([O-])[C@]12CN(S(=O)(=O)CCCN3CCOCC3)C[C@H]1COCC2 ZINC001332138462 850178188 /nfs/dbraw/zinc/17/81/88/850178188.db2.gz ZJPCNLQGYNGRNU-DZGCQCFKSA-N -1 0 362.448 -0.538 20 0 FBADRM CN(CC(=O)[O-])C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC001332141046 850178347 /nfs/dbraw/zinc/17/83/47/850178347.db2.gz FSFSQVUWLABTIE-UHFFFAOYSA-N -1 0 363.436 -0.314 20 0 FBADRM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001332141263 850178239 /nfs/dbraw/zinc/17/82/39/850178239.db2.gz IPTJNOGNASMMHL-UHFFFAOYSA-N -1 0 360.388 -0.110 20 0 FBADRM O=C([O-])CN(C(=O)C1CCC2(CC1)NC(=O)NC2=O)C1CCOCC1 ZINC001332141689 850177929 /nfs/dbraw/zinc/17/79/29/850177929.db2.gz KMSCDQXLFOGHTA-UHFFFAOYSA-N -1 0 353.375 -0.153 20 0 FBADRM CN(C)S(=O)(=O)c1ccc(C(=O)NCC2(C(=O)[O-])CCOCC2)cn1 ZINC001332142149 850178076 /nfs/dbraw/zinc/17/80/76/850178076.db2.gz PAMDJWNIEFSJHK-UHFFFAOYSA-N -1 0 371.415 -0.057 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC(C(=O)NCCO)CC1 ZINC001332146413 850178418 /nfs/dbraw/zinc/17/84/18/850178418.db2.gz YXHMTVIOGICWNR-UHFFFAOYSA-N -1 0 353.341 -0.209 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)c1cc(I)nn1C ZINC001332149202 850178553 /nfs/dbraw/zinc/17/85/53/850178553.db2.gz RYDLZNRIHPLMBV-UHFFFAOYSA-N -1 0 358.161 -0.439 20 0 FBADRM Cn1ccnc1COCC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001332149662 850177944 /nfs/dbraw/zinc/17/79/44/850177944.db2.gz VITQCWFGFNNVEC-INIZCTEOSA-N -1 0 352.391 -0.675 20 0 FBADRM Cn1ccnc1COCC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001332149663 850178088 /nfs/dbraw/zinc/17/80/88/850178088.db2.gz VITQCWFGFNNVEC-MRXNPFEDSA-N -1 0 352.391 -0.675 20 0 FBADRM CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001332151572 850178316 /nfs/dbraw/zinc/17/83/16/850178316.db2.gz MZQBALSTXXQJIW-CXAGYDPISA-N -1 0 355.435 -0.073 20 0 FBADRM CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001332151574 850178195 /nfs/dbraw/zinc/17/81/95/850178195.db2.gz MZQBALSTXXQJIW-DYVFJYSZSA-N -1 0 355.435 -0.073 20 0 FBADRM CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001332151576 850178039 /nfs/dbraw/zinc/17/80/39/850178039.db2.gz MZQBALSTXXQJIW-GUYCJALGSA-N -1 0 355.435 -0.073 20 0 FBADRM CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001332151578 850178367 /nfs/dbraw/zinc/17/83/67/850178367.db2.gz MZQBALSTXXQJIW-SUMWQHHRSA-N -1 0 355.435 -0.073 20 0 FBADRM C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1(C)C ZINC001332151952 850178385 /nfs/dbraw/zinc/17/83/85/850178385.db2.gz OLXZGOZMMTWRPT-ZDUSSCGKSA-N -1 0 354.451 -0.548 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001332171429 850180640 /nfs/dbraw/zinc/18/06/40/850180640.db2.gz BVNZJORFQQGBBF-JKIFEVAISA-N -1 0 356.419 -0.042 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001332171430 850180600 /nfs/dbraw/zinc/18/06/00/850180600.db2.gz BVNZJORFQQGBBF-KEYYUXOJSA-N -1 0 356.419 -0.042 20 0 FBADRM O=C([O-])[C@]1(N2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)CCOC1 ZINC001332175085 850180709 /nfs/dbraw/zinc/18/07/09/850180709.db2.gz JPAWQRQKFIEZQS-INIZCTEOSA-N -1 0 350.375 -0.333 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)CCOC1 ZINC001332175088 850180825 /nfs/dbraw/zinc/18/08/25/850180825.db2.gz JPAWQRQKFIEZQS-MRXNPFEDSA-N -1 0 350.375 -0.333 20 0 FBADRM C[C@@H](C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1)N1CCSCC1 ZINC001332175732 850180789 /nfs/dbraw/zinc/18/07/89/850180789.db2.gz RMQSALGPDDMTAO-BBRMVZONSA-N -1 0 357.476 -0.188 20 0 FBADRM C[C@H](C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1)N1CCSCC1 ZINC001332175735 850180569 /nfs/dbraw/zinc/18/05/69/850180569.db2.gz RMQSALGPDDMTAO-CJNGLKHVSA-N -1 0 357.476 -0.188 20 0 FBADRM C[C@H](C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1)N1CCSCC1 ZINC001332175737 850180419 /nfs/dbraw/zinc/18/04/19/850180419.db2.gz RMQSALGPDDMTAO-CZUORRHYSA-N -1 0 357.476 -0.188 20 0 FBADRM C[C@@H](C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1)N1CCSCC1 ZINC001332175739 850180487 /nfs/dbraw/zinc/18/04/87/850180487.db2.gz RMQSALGPDDMTAO-XJKSGUPXSA-N -1 0 357.476 -0.188 20 0 FBADRM CC(C)(C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1)N1CCOCC1 ZINC001332176056 850180804 /nfs/dbraw/zinc/18/08/04/850180804.db2.gz SUCRWYQQBHPVHJ-KRWDZBQOSA-N -1 0 355.435 -0.515 20 0 FBADRM CC(C)(C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1)N1CCOCC1 ZINC001332176057 850180700 /nfs/dbraw/zinc/18/07/00/850180700.db2.gz SUCRWYQQBHPVHJ-QGZVFWFLSA-N -1 0 355.435 -0.515 20 0 FBADRM CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001332185596 850181839 /nfs/dbraw/zinc/18/18/39/850181839.db2.gz ADOMOLJMEQSZIH-BETUJISGSA-N -1 0 355.435 -0.217 20 0 FBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC001332188138 850182097 /nfs/dbraw/zinc/18/20/97/850182097.db2.gz TVXNGCJZLKHMFD-HZSPNIEDSA-N -1 0 353.419 -0.321 20 0 FBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC001332188139 850181922 /nfs/dbraw/zinc/18/19/22/850181922.db2.gz TVXNGCJZLKHMFD-MJBXVCDLSA-N -1 0 353.419 -0.321 20 0 FBADRM O=C([O-])c1cnn(CC(=O)NC[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC001332209894 850183174 /nfs/dbraw/zinc/18/31/74/850183174.db2.gz WQSQKRDETDDSMY-JTQLQIEISA-N -1 0 350.297 -0.039 20 0 FBADRM O=C([O-])c1cnn(CC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC001332209895 850182990 /nfs/dbraw/zinc/18/29/90/850182990.db2.gz WQSQKRDETDDSMY-SNVBAGLBSA-N -1 0 350.297 -0.039 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])nc1Cl ZINC001332212699 850184056 /nfs/dbraw/zinc/18/40/56/850184056.db2.gz BYQXDKFMYWHRSL-SSDOTTSWSA-N -1 0 371.824 -0.664 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])nc1Cl ZINC001332212701 850184652 /nfs/dbraw/zinc/18/46/52/850184652.db2.gz BYQXDKFMYWHRSL-ZETCQYMHSA-N -1 0 371.824 -0.664 20 0 FBADRM CC(=O)N1CCc2sc(S(=O)(=O)N(CCO)CC(=O)[O-])cc2C1 ZINC001332213007 850184140 /nfs/dbraw/zinc/18/41/40/850184140.db2.gz DIOTUCZSOFXOLM-UHFFFAOYSA-N -1 0 362.429 -0.280 20 0 FBADRM CC(C)OC[C@H](NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001332213010 850184136 /nfs/dbraw/zinc/18/41/36/850184136.db2.gz DKOMRTMUAXKSAI-MNOVXSKESA-N -1 0 357.450 -0.391 20 0 FBADRM CC(C)OC[C@H](NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001332213011 850184618 /nfs/dbraw/zinc/18/46/18/850184618.db2.gz DKOMRTMUAXKSAI-QWRGUYRKSA-N -1 0 357.450 -0.391 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC001332213054 850184586 /nfs/dbraw/zinc/18/45/86/850184586.db2.gz FNGCVZNVXVWQHX-JTQLQIEISA-N -1 0 366.392 -0.934 20 0 FBADRM Cc1cc(S(=O)(=O)N(C)CCNS(C)(=O)=O)ccc1C(=O)[O-] ZINC001332213763 850184168 /nfs/dbraw/zinc/18/41/68/850184168.db2.gz KUZKSFAXFCKHMC-UHFFFAOYSA-N -1 0 350.418 -0.137 20 0 FBADRM CC(C)(C)C[C@@H](O)[C@@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001332214758 850184499 /nfs/dbraw/zinc/18/44/99/850184499.db2.gz OMGUAQSZNSPASW-GHMZBOCLSA-N -1 0 371.477 -0.267 20 0 FBADRM CC(C)(C)C[C@@H](O)[C@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001332214759 850184333 /nfs/dbraw/zinc/18/43/33/850184333.db2.gz OMGUAQSZNSPASW-MNOVXSKESA-N -1 0 371.477 -0.267 20 0 FBADRM CC(C)(C)C[C@H](O)[C@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001332214760 850184310 /nfs/dbraw/zinc/18/43/10/850184310.db2.gz OMGUAQSZNSPASW-QWRGUYRKSA-N -1 0 371.477 -0.267 20 0 FBADRM CC(C)(C)C[C@H](O)[C@@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001332214761 850184363 /nfs/dbraw/zinc/18/43/63/850184363.db2.gz OMGUAQSZNSPASW-WDEREUQCSA-N -1 0 371.477 -0.267 20 0 FBADRM CC(C)(C(=O)[O-])C1(O)CCN(S(=O)(=O)CCCS(C)(=O)=O)CC1 ZINC001332216939 850184403 /nfs/dbraw/zinc/18/44/03/850184403.db2.gz YIFUFZJHRULLIO-UHFFFAOYSA-N -1 0 371.477 -0.311 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cn(Cc2ccccn2)nn1 ZINC001332222572 850185833 /nfs/dbraw/zinc/18/58/33/850185833.db2.gz FSJWIKFIEXLXFR-UHFFFAOYSA-N -1 0 354.392 -0.726 20 0 FBADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(N2CCNC2=O)c1 ZINC001332223512 850185303 /nfs/dbraw/zinc/18/53/03/850185303.db2.gz KERKNXAMLITGPD-UHFFFAOYSA-N -1 0 356.404 -0.231 20 0 FBADRM CN(C)CCN(CC(=O)N(C)C)S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001332233940 850186846 /nfs/dbraw/zinc/18/68/46/850186846.db2.gz XTTNPIJWJLCJIJ-UHFFFAOYSA-N -1 0 371.459 -0.046 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)NC[C@@H](Cc1cccnc1)C(=O)[O-] ZINC001332254057 850190410 /nfs/dbraw/zinc/19/04/10/850190410.db2.gz BHSKUOGDKNNQLI-LLVKDONJSA-N -1 0 350.418 -0.711 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)NC[C@H](Cc1cccnc1)C(=O)[O-] ZINC001332254059 850190264 /nfs/dbraw/zinc/19/02/64/850190264.db2.gz BHSKUOGDKNNQLI-NSHDSACASA-N -1 0 350.418 -0.711 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC001332254158 850190513 /nfs/dbraw/zinc/19/05/13/850190513.db2.gz DQIQHBFSEKPFLU-SSDOTTSWSA-N -1 0 350.374 -0.206 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001332254159 850190378 /nfs/dbraw/zinc/19/03/78/850190378.db2.gz DQIQHBFSEKPFLU-ZETCQYMHSA-N -1 0 350.374 -0.206 20 0 FBADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC001332254468 850190537 /nfs/dbraw/zinc/19/05/37/850190537.db2.gz FIHWFSAPZMHMFH-BXKDBHETSA-N -1 0 357.388 -0.541 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N1Cc2cc(O)ccc2C[C@@H]1C(=O)[O-] ZINC001332254556 850190501 /nfs/dbraw/zinc/19/05/01/850190501.db2.gz GGDMMPCZAJZWEE-GFCCVEGCSA-N -1 0 363.413 -0.422 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)[O-] ZINC001332254559 850190318 /nfs/dbraw/zinc/19/03/18/850190318.db2.gz GGDMMPCZAJZWEE-LBPRGKRZSA-N -1 0 363.413 -0.422 20 0 FBADRM COC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC001332256580 850190507 /nfs/dbraw/zinc/19/05/07/850190507.db2.gz RVHGUEZVLJVMNL-UHFFFAOYSA-N -1 0 364.420 -0.364 20 0 FBADRM CCn1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])cn1 ZINC001332256594 850190330 /nfs/dbraw/zinc/19/03/30/850190330.db2.gz SBFDAYRMUAFJNT-SECBINFHSA-N -1 0 351.406 -0.835 20 0 FBADRM CCn1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])cn1 ZINC001332256595 850190194 /nfs/dbraw/zinc/19/01/94/850190194.db2.gz SBFDAYRMUAFJNT-VIFPVBQESA-N -1 0 351.406 -0.835 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])cc1F ZINC001332257358 850190496 /nfs/dbraw/zinc/19/04/96/850190496.db2.gz YRNLTBHAKVYFQQ-GFCCVEGCSA-N -1 0 362.379 -0.102 20 0 FBADRM COc1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])cc1F ZINC001332257359 850190312 /nfs/dbraw/zinc/19/03/12/850190312.db2.gz YRNLTBHAKVYFQQ-LBPRGKRZSA-N -1 0 362.379 -0.102 20 0 FBADRM CCOc1ccncc1S(=O)(=O)N[C@H](CN1CCOCC1)C(=O)[O-] ZINC001332262674 850191351 /nfs/dbraw/zinc/19/13/51/850191351.db2.gz QFIWCFQUJRKTCU-LLVKDONJSA-N -1 0 359.404 -0.456 20 0 FBADRM CCOc1ccncc1S(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)[O-] ZINC001332262678 850191511 /nfs/dbraw/zinc/19/15/11/850191511.db2.gz QFIWCFQUJRKTCU-NSHDSACASA-N -1 0 359.404 -0.456 20 0 FBADRM C[C@@H](S[C@H](C)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C(=O)[O-] ZINC001332280527 850193517 /nfs/dbraw/zinc/19/35/17/850193517.db2.gz ODDZXSJTXILMPF-CHWSQXEVSA-N -1 0 373.475 -0.416 20 0 FBADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001332280529 850193619 /nfs/dbraw/zinc/19/36/19/850193619.db2.gz ODDZXSJTXILMPF-OLZOCXBDSA-N -1 0 373.475 -0.416 20 0 FBADRM C[C@@H](S[C@@H](C)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C(=O)[O-] ZINC001332280531 850193409 /nfs/dbraw/zinc/19/34/09/850193409.db2.gz ODDZXSJTXILMPF-QWHCGFSZSA-N -1 0 373.475 -0.416 20 0 FBADRM C[C@H](S[C@@H](C)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C(=O)[O-] ZINC001332280532 850193600 /nfs/dbraw/zinc/19/36/00/850193600.db2.gz ODDZXSJTXILMPF-STQMWFEESA-N -1 0 373.475 -0.416 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)Cc2ccn(C)n2)cc1 ZINC001332317690 850202207 /nfs/dbraw/zinc/20/22/07/850202207.db2.gz IIIBOTLHJNCYMX-UHFFFAOYSA-N -1 0 350.400 -0.032 20 0 FBADRM C[C@@H](CC(=O)[O-])NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001332325840 850203721 /nfs/dbraw/zinc/20/37/21/850203721.db2.gz TUDOGFBQBHWHRU-JTQLQIEISA-N -1 0 371.415 -0.354 20 0 FBADRM C[C@H](CC(=O)[O-])NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001332325841 850203760 /nfs/dbraw/zinc/20/37/60/850203760.db2.gz TUDOGFBQBHWHRU-SNVBAGLBSA-N -1 0 371.415 -0.354 20 0 FBADRM O=C([O-])CNC(=O)CN1CCn2ncc(I)c2C1 ZINC001332334217 850204294 /nfs/dbraw/zinc/20/42/94/850204294.db2.gz HPRTXMPYBUJFPY-UHFFFAOYSA-N -1 0 364.143 -0.496 20 0 FBADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC001332338644 850205698 /nfs/dbraw/zinc/20/56/98/850205698.db2.gz HBOYEPQCQMXSRH-VHSXEESVSA-N -1 0 351.363 -0.721 20 0 FBADRM CCOCCN1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC1 ZINC001332339597 850205972 /nfs/dbraw/zinc/20/59/72/850205972.db2.gz MJKXGRDHYCKBRB-UHFFFAOYSA-N -1 0 355.435 -0.120 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC(S(C)(=O)=O)CC2)C[C@H]1C(=O)[O-] ZINC001332339753 850205541 /nfs/dbraw/zinc/20/55/41/850205541.db2.gz QFACCOTYAWRNAE-CMPLNLGQSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC(S(C)(=O)=O)CC2)C[C@@H]1C(=O)[O-] ZINC001332339754 850205528 /nfs/dbraw/zinc/20/55/28/850205528.db2.gz QFACCOTYAWRNAE-JQWIXIFHSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC(S(C)(=O)=O)CC2)C[C@@H]1C(=O)[O-] ZINC001332339830 850205506 /nfs/dbraw/zinc/20/55/06/850205506.db2.gz QFACCOTYAWRNAE-PWSUYJOCSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC(S(C)(=O)=O)CC2)C[C@H]1C(=O)[O-] ZINC001332339831 850205603 /nfs/dbraw/zinc/20/56/03/850205603.db2.gz QFACCOTYAWRNAE-ZYHUDNBSSA-N -1 0 360.432 -0.409 20 0 FBADRM Cn1nc2c(c1NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1)CCC2 ZINC001332340375 850205682 /nfs/dbraw/zinc/20/56/82/850205682.db2.gz VYHYCBITFYKIEV-UHFFFAOYSA-N -1 0 350.375 -0.155 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)n1 ZINC001332341613 850205437 /nfs/dbraw/zinc/20/54/37/850205437.db2.gz YBCFPTYWXFLXTC-UHFFFAOYSA-N -1 0 371.375 -0.145 20 0 FBADRM CC(C)(SCC(=O)[O-])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001332350429 850208239 /nfs/dbraw/zinc/20/82/39/850208239.db2.gz OGGUFBMYGMFIBX-UHFFFAOYSA-N -1 0 373.475 -0.414 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC(O)(COCCO)CC1 ZINC001332383361 850213919 /nfs/dbraw/zinc/21/39/19/850213919.db2.gz DTXOJNXALARORH-UHFFFAOYSA-N -1 0 356.341 -0.194 20 0 FBADRM CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCCCC(=O)[O-])cc1 ZINC001332389750 850215828 /nfs/dbraw/zinc/21/58/28/850215828.db2.gz APKOKEWIAQGZEK-UHFFFAOYSA-N -1 0 356.400 -0.172 20 0 FBADRM COc1ccc(CNC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)nc1 ZINC001332390032 850216070 /nfs/dbraw/zinc/21/60/70/850216070.db2.gz CMYMPXNFAPUQHS-UHFFFAOYSA-N -1 0 351.359 -0.296 20 0 FBADRM O=C([O-])CCCNC(=O)C(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC001332392315 850217386 /nfs/dbraw/zinc/21/73/86/850217386.db2.gz SSCGZCFDVXGJMT-UHFFFAOYSA-N -1 0 351.359 -0.019 20 0 FBADRM Cc1nc2ncnn2c(C)c1CCC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC001332398463 850217244 /nfs/dbraw/zinc/21/72/44/850217244.db2.gz XDNCJSDDNVVAKV-UHFFFAOYSA-N -1 0 361.387 -0.031 20 0 FBADRM Cc1c(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@H](c3cncn3C)C2)cnn1C ZINC001332399260 850217221 /nfs/dbraw/zinc/21/72/21/850217221.db2.gz FBGZQTORGHJXHX-QWRGUYRKSA-N -1 0 353.404 -0.049 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC001332412602 850218639 /nfs/dbraw/zinc/21/86/39/850218639.db2.gz FPLBEJJSHZXBGK-MCIONIFRSA-N -1 0 353.419 -0.463 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC001332412603 850219018 /nfs/dbraw/zinc/21/90/18/850219018.db2.gz FPLBEJJSHZXBGK-RDBSUJKOSA-N -1 0 353.419 -0.463 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)c(C(F)(F)F)n1 ZINC001332426296 850220970 /nfs/dbraw/zinc/22/09/70/850220970.db2.gz DCWRPOGNPUPMBB-UHFFFAOYSA-N -1 0 356.326 -0.170 20 0 FBADRM Cn1nc(C(=O)[O-])cc1CN1CCN(C(=O)CN2CCOCC2)CC1 ZINC001332427385 850220795 /nfs/dbraw/zinc/22/07/95/850220795.db2.gz TXTVABINYKMZCC-UHFFFAOYSA-N -1 0 351.407 -0.905 20 0 FBADRM CN(C)[C@@H](CCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)C(F)(F)F ZINC001332462558 850225148 /nfs/dbraw/zinc/22/51/48/850225148.db2.gz OLEASSILEQYNCS-BDAKNGLRSA-N -1 0 355.313 -0.703 20 0 FBADRM CN(C)[C@H](CCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)C(F)(F)F ZINC001332462845 850225187 /nfs/dbraw/zinc/22/51/87/850225187.db2.gz OLEASSILEQYNCS-DTWKUNHWSA-N -1 0 355.313 -0.703 20 0 FBADRM CN(C)[C@@H](CCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)C(F)(F)F ZINC001332462846 850225205 /nfs/dbraw/zinc/22/52/05/850225205.db2.gz OLEASSILEQYNCS-IUCAKERBSA-N -1 0 355.313 -0.703 20 0 FBADRM CN(C)[C@H](CCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)C(F)(F)F ZINC001332462847 850225804 /nfs/dbraw/zinc/22/58/04/850225804.db2.gz OLEASSILEQYNCS-RKDXNWHRSA-N -1 0 355.313 -0.703 20 0 FBADRM O=C(NCc1nnn[n-]1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC001332483921 850228051 /nfs/dbraw/zinc/22/80/51/850228051.db2.gz ZWIUUMDQJVRYOF-UHFFFAOYSA-N -1 0 365.400 -0.259 20 0 FBADRM COCCN(CC(=O)[O-])CC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC001332519826 850231982 /nfs/dbraw/zinc/23/19/82/850231982.db2.gz LESNBDFKJZISRX-UHFFFAOYSA-N -1 0 358.416 -0.261 20 0 FBADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC001332523307 850232229 /nfs/dbraw/zinc/23/22/29/850232229.db2.gz NVBITQNQXCYEQK-JTQLQIEISA-N -1 0 355.372 -0.845 20 0 FBADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC001332523335 850232501 /nfs/dbraw/zinc/23/25/01/850232501.db2.gz NVBITQNQXCYEQK-SNVBAGLBSA-N -1 0 355.372 -0.845 20 0 FBADRM CNC(=O)Cn1nc([N-]S(=O)(=O)CC2(OC)CCOCC2)cc1C ZINC001332538020 850235407 /nfs/dbraw/zinc/23/54/07/850235407.db2.gz IUJSWDFVRUHJRP-UHFFFAOYSA-N -1 0 360.436 -0.125 20 0 FBADRM NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)[O-])CC2CC2)cc1 ZINC001332538783 850234704 /nfs/dbraw/zinc/23/47/04/850234704.db2.gz HTSBLSGAIDKPRT-UHFFFAOYSA-N -1 0 369.443 -0.211 20 0 FBADRM COC[C@@](C)(NS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2)C(=O)[O-] ZINC001332539379 850235115 /nfs/dbraw/zinc/23/51/15/850235115.db2.gz LZBVESBURHKABW-CYBMUJFWSA-N -1 0 363.413 -0.117 20 0 FBADRM COC[C@](C)(NS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2)C(=O)[O-] ZINC001332539383 850235125 /nfs/dbraw/zinc/23/51/25/850235125.db2.gz LZBVESBURHKABW-ZDUSSCGKSA-N -1 0 363.413 -0.117 20 0 FBADRM Cc1nc(Cn2nnc([N-]S(=O)(=O)N3CCCOCC3)c2C)no1 ZINC001332539415 850235351 /nfs/dbraw/zinc/23/53/51/850235351.db2.gz XOSHDMDGOYKDDF-UHFFFAOYSA-N -1 0 357.396 -0.295 20 0 FBADRM Cn1cc(CNC(=O)C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)cn1 ZINC001332569029 850238376 /nfs/dbraw/zinc/23/83/76/850238376.db2.gz MBARPEAKDHQMFM-CYBMUJFWSA-N -1 0 361.324 -0.294 20 0 FBADRM Cn1cc(CNC(=O)C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)cn1 ZINC001332569030 850238510 /nfs/dbraw/zinc/23/85/10/850238510.db2.gz MBARPEAKDHQMFM-ZDUSSCGKSA-N -1 0 361.324 -0.294 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@H]2CCCS(=O)(=O)C2)s1 ZINC001332573425 850240418 /nfs/dbraw/zinc/24/04/18/850240418.db2.gz WGWWQUFSKYMMDC-LURJTMIESA-N -1 0 354.435 -0.327 20 0 FBADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@H]2CCCS(=O)(=O)C2)s1 ZINC001332573426 850240442 /nfs/dbraw/zinc/24/04/42/850240442.db2.gz WGWWQUFSKYMMDC-ZCFIWIBFSA-N -1 0 354.435 -0.327 20 0 FBADRM C[C@H](NC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)C(=O)[O-] ZINC001332590464 850243339 /nfs/dbraw/zinc/24/33/39/850243339.db2.gz GBBSSLBPZXWDOP-JTQLQIEISA-N -1 0 363.436 -0.268 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccn(CC(F)(F)F)c1=O ZINC001332610199 850245743 /nfs/dbraw/zinc/24/57/43/850245743.db2.gz IIIOHGBLELTAKA-UHFFFAOYSA-N -1 0 364.280 -0.467 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cnn(C2CCOCC2)c1C ZINC001332610615 850246535 /nfs/dbraw/zinc/24/65/35/850246535.db2.gz MKJUIYJCFNCPDJ-UHFFFAOYSA-N -1 0 353.379 -0.335 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(C)n(CC(F)(F)F)n1 ZINC001332611669 850246497 /nfs/dbraw/zinc/24/64/97/850246497.db2.gz VOOZXEGGWYRVLS-UHFFFAOYSA-N -1 0 351.285 -0.124 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@H](C)N1CCc2sccc2C1 ZINC001332627326 850249806 /nfs/dbraw/zinc/24/98/06/850249806.db2.gz HWNJOLOXRYKMOX-JTQLQIEISA-N -1 0 354.432 -0.595 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@@H](C)N1CCc2sccc2C1 ZINC001332627327 850250065 /nfs/dbraw/zinc/25/00/65/850250065.db2.gz HWNJOLOXRYKMOX-SNVBAGLBSA-N -1 0 354.432 -0.595 20 0 FBADRM COCC1(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CCOCC1 ZINC001332629527 850250369 /nfs/dbraw/zinc/25/03/69/850250369.db2.gz RTZLGJBDMIFKHC-KRWDZBQOSA-N -1 0 356.419 -0.183 20 0 FBADRM COCC1(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CCOCC1 ZINC001332629528 850249920 /nfs/dbraw/zinc/24/99/20/850249920.db2.gz RTZLGJBDMIFKHC-QGZVFWFLSA-N -1 0 356.419 -0.183 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1COc2c(cccc2OC)C1 ZINC001332633950 850252173 /nfs/dbraw/zinc/25/21/73/850252173.db2.gz YUEFVJWZDGCGNY-LLVKDONJSA-N -1 0 351.359 -0.701 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1COc2c(cccc2OC)C1 ZINC001332633953 850252079 /nfs/dbraw/zinc/25/20/79/850252079.db2.gz YUEFVJWZDGCGNY-NSHDSACASA-N -1 0 351.359 -0.701 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)CC(=O)NCC(F)(F)F ZINC001332655160 850255469 /nfs/dbraw/zinc/25/54/69/850255469.db2.gz YPGCSUXEACZYKN-UHFFFAOYSA-N -1 0 355.313 -0.700 20 0 FBADRM CCN(C)C(=O)CNC(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001332709685 850265233 /nfs/dbraw/zinc/26/52/33/850265233.db2.gz RURFQWMSQBAEBK-CYBMUJFWSA-N -1 0 366.340 -0.750 20 0 FBADRM CCN(C)C(=O)CNC(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001332709686 850265504 /nfs/dbraw/zinc/26/55/04/850265504.db2.gz RURFQWMSQBAEBK-ZDUSSCGKSA-N -1 0 366.340 -0.750 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NCc1ccsc1Br ZINC001332728620 850269472 /nfs/dbraw/zinc/26/94/72/850269472.db2.gz HTGBOFKHQZHJLB-UHFFFAOYSA-N -1 0 350.194 -0.079 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)C(=O)[N-]OCCOC)CC1 ZINC001332743709 850271519 /nfs/dbraw/zinc/27/15/19/850271519.db2.gz WDZCKHVDOBKFGE-UHFFFAOYSA-N -1 0 351.425 -0.999 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC001332747283 850271980 /nfs/dbraw/zinc/27/19/80/850271980.db2.gz QXXCMIUANGHUBI-GFCCVEGCSA-N -1 0 352.391 -0.283 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC001332747284 850272166 /nfs/dbraw/zinc/27/21/66/850272166.db2.gz QXXCMIUANGHUBI-LBPRGKRZSA-N -1 0 352.391 -0.283 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)NCCn2cccn2)C1 ZINC001332753333 850272532 /nfs/dbraw/zinc/27/25/32/850272532.db2.gz LWWACQVFNYSNOM-CYBMUJFWSA-N -1 0 361.324 -0.331 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)NCCn2cccn2)C1 ZINC001332753335 850272467 /nfs/dbraw/zinc/27/24/67/850272467.db2.gz LWWACQVFNYSNOM-ZDUSSCGKSA-N -1 0 361.324 -0.331 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cccc(NC(=O)CC)c1 ZINC001332761921 850275291 /nfs/dbraw/zinc/27/52/91/850275291.db2.gz PCTJXRBUIXQUJB-UHFFFAOYSA-N -1 0 350.375 -0.165 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC001332781727 850278494 /nfs/dbraw/zinc/27/84/94/850278494.db2.gz AYQOALXRJPXKII-BDAKNGLRSA-N -1 0 355.313 -0.261 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001332781728 850278001 /nfs/dbraw/zinc/27/80/01/850278001.db2.gz AYQOALXRJPXKII-DTWKUNHWSA-N -1 0 355.313 -0.261 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC001332781729 850278156 /nfs/dbraw/zinc/27/81/56/850278156.db2.gz AYQOALXRJPXKII-IUCAKERBSA-N -1 0 355.313 -0.261 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC001332781730 850278675 /nfs/dbraw/zinc/27/86/75/850278675.db2.gz AYQOALXRJPXKII-RKDXNWHRSA-N -1 0 355.313 -0.261 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(c2cccc(F)c2)CC1 ZINC001332784633 850278142 /nfs/dbraw/zinc/27/81/42/850278142.db2.gz XAMYPLHSWBGHQL-UHFFFAOYSA-N -1 0 352.366 -0.342 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC001332804909 850280933 /nfs/dbraw/zinc/28/09/33/850280933.db2.gz ZFGCTBCNNPTKGX-GFCCVEGCSA-N -1 0 352.366 -0.296 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC001332804912 850281211 /nfs/dbraw/zinc/28/12/11/850281211.db2.gz ZFGCTBCNNPTKGX-LBPRGKRZSA-N -1 0 352.366 -0.296 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1COC2(CCCCCC2)O1 ZINC001332808796 850282111 /nfs/dbraw/zinc/28/21/11/850282111.db2.gz GAXRJLHFRIPSJS-GFCCVEGCSA-N -1 0 357.407 -0.248 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1COC2(CCCCCC2)O1 ZINC001332808798 850282185 /nfs/dbraw/zinc/28/21/85/850282185.db2.gz GAXRJLHFRIPSJS-LBPRGKRZSA-N -1 0 357.407 -0.248 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1COc2cc(OC)ccc2C1 ZINC001332810300 850282055 /nfs/dbraw/zinc/28/20/55/850282055.db2.gz KZXSJSKEOBGWLZ-LLVKDONJSA-N -1 0 351.359 -0.701 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1COc2cc(OC)ccc2C1 ZINC001332810632 850282100 /nfs/dbraw/zinc/28/21/00/850282100.db2.gz KZXSJSKEOBGWLZ-NSHDSACASA-N -1 0 351.359 -0.701 20 0 FBADRM COc1ccccc1CO[N-]C(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001332818645 850284602 /nfs/dbraw/zinc/28/46/02/850284602.db2.gz LOTBRJFUXMLXEQ-GFCCVEGCSA-N -1 0 371.415 -0.607 20 0 FBADRM COc1ccccc1CO[N-]C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001332818648 850284560 /nfs/dbraw/zinc/28/45/60/850284560.db2.gz LOTBRJFUXMLXEQ-LBPRGKRZSA-N -1 0 371.415 -0.607 20 0 FBADRM C[S@](=O)CCNC(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001332821702 850284803 /nfs/dbraw/zinc/28/48/03/850284803.db2.gz HHYMPSHOLLDJGQ-BGJPBQGDSA-N -1 0 357.354 -0.849 20 0 FBADRM C[S@@](=O)CCNC(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001332821703 850284326 /nfs/dbraw/zinc/28/43/26/850284326.db2.gz HHYMPSHOLLDJGQ-BSNNYGBQSA-N -1 0 357.354 -0.849 20 0 FBADRM C[S@@](=O)CCNC(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001332821704 850284127 /nfs/dbraw/zinc/28/41/27/850284127.db2.gz HHYMPSHOLLDJGQ-QVQLBTGDSA-N -1 0 357.354 -0.849 20 0 FBADRM C[S@](=O)CCNC(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001332821705 850284755 /nfs/dbraw/zinc/28/47/55/850284755.db2.gz HHYMPSHOLLDJGQ-RULNZOCKSA-N -1 0 357.354 -0.849 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1ccc(C(=O)NC)cc1 ZINC001332840510 850287983 /nfs/dbraw/zinc/28/79/83/850287983.db2.gz CISLWSRXCXUALY-UHFFFAOYSA-N -1 0 350.375 -0.812 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(C)(c2nc(C)no2)CC1 ZINC001332841102 850287958 /nfs/dbraw/zinc/28/79/58/850287958.db2.gz DRORDYQWBYGLDW-UHFFFAOYSA-N -1 0 353.379 -0.558 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC001332841276 850288394 /nfs/dbraw/zinc/28/83/94/850288394.db2.gz GOSJSCAZWBYOTK-INIZCTEOSA-N -1 0 357.407 -0.249 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC001332841277 850287954 /nfs/dbraw/zinc/28/79/54/850287954.db2.gz GOSJSCAZWBYOTK-MRXNPFEDSA-N -1 0 357.407 -0.249 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCOc2cc(OC)ccc2C1 ZINC001332841821 850288515 /nfs/dbraw/zinc/28/85/15/850288515.db2.gz IANOKMHBQXEOQP-UHFFFAOYSA-N -1 0 351.359 -0.400 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCSC[C@@H]1c1cnn(C)c1 ZINC001332842510 850288003 /nfs/dbraw/zinc/28/80/03/850288003.db2.gz KLDRJDBNGIWJOF-LLVKDONJSA-N -1 0 355.420 -0.780 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCSC[C@H]1c1cnn(C)c1 ZINC001332842511 850288239 /nfs/dbraw/zinc/28/82/39/850288239.db2.gz KLDRJDBNGIWJOF-NSHDSACASA-N -1 0 355.420 -0.780 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC001332843097 850288090 /nfs/dbraw/zinc/28/80/90/850288090.db2.gz MYYTUWHMCIFTNE-GFCCVEGCSA-N -1 0 354.407 -0.826 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)CC1 ZINC001332843098 850288038 /nfs/dbraw/zinc/28/80/38/850288038.db2.gz MYYTUWHMCIFTNE-LBPRGKRZSA-N -1 0 354.407 -0.826 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 ZINC001332843834 850287966 /nfs/dbraw/zinc/28/79/66/850287966.db2.gz RQVTVYRDVQAYJN-GFCCVEGCSA-N -1 0 371.415 -0.928 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC001332843837 850288530 /nfs/dbraw/zinc/28/85/30/850288530.db2.gz RQVTVYRDVQAYJN-LBPRGKRZSA-N -1 0 371.415 -0.928 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(Cc1ccccc1)CC(C)(C)O ZINC001332844386 850288815 /nfs/dbraw/zinc/28/88/15/850288815.db2.gz XGCFMDDHVVKKNB-UHFFFAOYSA-N -1 0 351.403 -0.030 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1ccc(OC)cc1OC ZINC001332844710 850288489 /nfs/dbraw/zinc/28/84/89/850288489.db2.gz YEXHWYQUPOYZOM-UHFFFAOYSA-N -1 0 353.375 -0.154 20 0 FBADRM Cc1c[nH]ccc1=NC([O-])=CS(=O)(=O)CC([O-])=Nc1cc[nH+]cc1C ZINC001332879160 850293675 /nfs/dbraw/zinc/29/36/75/850293675.db2.gz QIGMMYVLIFWJMR-UHFFFAOYSA-N -1 0 362.411 -0.071 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)CC1 ZINC001332888219 850293456 /nfs/dbraw/zinc/29/34/56/850293456.db2.gz ACMTUUYVKCYOMR-GFCCVEGCSA-N -1 0 368.477 -0.469 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)CC1 ZINC001332888221 850293119 /nfs/dbraw/zinc/29/31/19/850293119.db2.gz ACMTUUYVKCYOMR-LBPRGKRZSA-N -1 0 368.477 -0.469 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)nnn1-c1ccn(C)n1 ZINC001332888614 850292821 /nfs/dbraw/zinc/29/28/21/850292821.db2.gz FWUCMWZSVMGDFJ-UHFFFAOYSA-N -1 0 364.391 -0.697 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)CC2CCN(S(C)(=O)=O)CC2)cn1 ZINC001332889119 850292832 /nfs/dbraw/zinc/29/28/32/850292832.db2.gz KTHJQMFCKKDFSB-UHFFFAOYSA-N -1 0 364.449 -0.713 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)Cc2cnn(C)c2)nnn1-c1cnn(C)c1 ZINC001332890358 850294591 /nfs/dbraw/zinc/29/45/91/850294591.db2.gz WUFLMVPNXALSPC-UHFFFAOYSA-N -1 0 364.391 -0.697 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)[N-]S(=O)(=O)C2CCOCC2)CC1 ZINC001332890568 850294230 /nfs/dbraw/zinc/29/42/30/850294230.db2.gz YLELTVLSUKCEHH-UHFFFAOYSA-N -1 0 368.477 -0.327 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CCN3CCOC[C@H]3C2)cc1F ZINC001332897319 850296016 /nfs/dbraw/zinc/29/60/16/850296016.db2.gz HMOBZYOAKUYCRH-LLVKDONJSA-N -1 0 374.390 -0.006 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CCN3CCOC[C@@H]3C2)cc1F ZINC001332897320 850295524 /nfs/dbraw/zinc/29/55/24/850295524.db2.gz HMOBZYOAKUYCRH-NSHDSACASA-N -1 0 374.390 -0.006 20 0 FBADRM Cc1cc(NC(=O)CN2CCN(C(=O)NC[C@H](C)C(=O)[O-])CC2)no1 ZINC001332944982 850300032 /nfs/dbraw/zinc/30/00/32/850300032.db2.gz DVGINICNBFMGTN-JTQLQIEISA-N -1 0 353.379 -0.031 20 0 FBADRM Cc1cc(NC(=O)CN2CCN(C(=O)NC[C@@H](C)C(=O)[O-])CC2)no1 ZINC001332944983 850300319 /nfs/dbraw/zinc/30/03/19/850300319.db2.gz DVGINICNBFMGTN-SNVBAGLBSA-N -1 0 353.379 -0.031 20 0 FBADRM O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc2c(c1)C(=O)CC2 ZINC001332975796 850305304 /nfs/dbraw/zinc/30/53/04/850305304.db2.gz POMYYUSSJMTULE-AWEZNQCLSA-N -1 0 368.411 -0.121 20 0 FBADRM O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc2c(c1)C(=O)CC2 ZINC001332975799 850305171 /nfs/dbraw/zinc/30/51/71/850305171.db2.gz POMYYUSSJMTULE-CQSZACIVSA-N -1 0 368.411 -0.121 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC001333025047 850311826 /nfs/dbraw/zinc/31/18/26/850311826.db2.gz WWPFPXSMQUYUEU-SECBINFHSA-N -1 0 372.784 -0.032 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC001333025048 850311731 /nfs/dbraw/zinc/31/17/31/850311731.db2.gz WWPFPXSMQUYUEU-VIFPVBQESA-N -1 0 372.784 -0.032 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)s1 ZINC001333026081 850313262 /nfs/dbraw/zinc/31/32/62/850313262.db2.gz YZNWZJRSBKXRNH-SECBINFHSA-N -1 0 359.429 -0.285 20 0 FBADRM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)s1 ZINC001333026082 850313133 /nfs/dbraw/zinc/31/31/33/850313133.db2.gz YZNWZJRSBKXRNH-VIFPVBQESA-N -1 0 359.429 -0.285 20 0 FBADRM C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)CO1 ZINC001333080871 850320365 /nfs/dbraw/zinc/32/03/65/850320365.db2.gz ZMPRURKXUGBHMA-ZDMBXUJBSA-N -1 0 351.325 -0.051 20 0 FBADRM O=C([O-])[C@@H](CC1CCOCC1)NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC001333123084 850325405 /nfs/dbraw/zinc/32/54/05/850325405.db2.gz XVJBXVARHBMEFN-GFCCVEGCSA-N -1 0 369.461 -0.247 20 0 FBADRM O=C([O-])[C@H](CC1CCOCC1)NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC001333123086 850325272 /nfs/dbraw/zinc/32/52/72/850325272.db2.gz XVJBXVARHBMEFN-LBPRGKRZSA-N -1 0 369.461 -0.247 20 0 FBADRM O=C([O-])[C@]1(O)CCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 ZINC001333123208 850324908 /nfs/dbraw/zinc/32/49/08/850324908.db2.gz ZKDOITMDAMWKAT-AWEZNQCLSA-N -1 0 357.388 -0.539 20 0 FBADRM O=C([O-])[C@@]1(O)CCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 ZINC001333123210 850324886 /nfs/dbraw/zinc/32/48/86/850324886.db2.gz ZKDOITMDAMWKAT-CQSZACIVSA-N -1 0 357.388 -0.539 20 0 FBADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001333123815 850324728 /nfs/dbraw/zinc/32/47/28/850324728.db2.gz ABSNXEYVMLZIOV-UHFFFAOYSA-N -1 0 351.363 -0.672 20 0 FBADRM O=C([O-])[C@@H](CO)NC(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 ZINC001333141828 850327467 /nfs/dbraw/zinc/32/74/67/850327467.db2.gz IZOSWCSRDDAUFQ-GFCCVEGCSA-N -1 0 357.388 -0.211 20 0 FBADRM O=C([O-])[C@H](CO)NC(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 ZINC001333141829 850327557 /nfs/dbraw/zinc/32/75/57/850327557.db2.gz IZOSWCSRDDAUFQ-LBPRGKRZSA-N -1 0 357.388 -0.211 20 0 FBADRM COC1CCN(S(=O)(=O)NCCCCn2cc(C(=O)[O-])nn2)CC1 ZINC001333141851 850328246 /nfs/dbraw/zinc/32/82/46/850328246.db2.gz JQTRNLCYTHLCNK-UHFFFAOYSA-N -1 0 361.424 -0.298 20 0 FBADRM CC(=O)N1CCc2sc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cc2C1 ZINC001333143942 850327962 /nfs/dbraw/zinc/32/79/62/850327962.db2.gz SHFZLKMHDQLOCA-CYBMUJFWSA-N -1 0 362.429 -0.233 20 0 FBADRM CC(=O)N1CCc2sc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])cc2C1 ZINC001333143946 850328197 /nfs/dbraw/zinc/32/81/97/850328197.db2.gz SHFZLKMHDQLOCA-ZDUSSCGKSA-N -1 0 362.429 -0.233 20 0 FBADRM CS(=O)(=O)CCn1ccc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC001333145345 850327857 /nfs/dbraw/zinc/32/78/57/850327857.db2.gz PAGZVTSTURGJCB-QMTHXVAHSA-N -1 0 372.403 -0.507 20 0 FBADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1 ZINC001333145530 850328222 /nfs/dbraw/zinc/32/82/22/850328222.db2.gz AYGCAFXQWGSBBL-LLVKDONJSA-N -1 0 351.402 -0.957 20 0 FBADRM CC[C@@H](CNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC001333151641 850329009 /nfs/dbraw/zinc/32/90/09/850329009.db2.gz ZHEPERGWHTUVBI-KBPBESRZSA-N -1 0 355.435 -0.073 20 0 FBADRM CC[C@H](CNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC001333151642 850328680 /nfs/dbraw/zinc/32/86/80/850328680.db2.gz ZHEPERGWHTUVBI-KGLIPLIRSA-N -1 0 355.435 -0.073 20 0 FBADRM CC[C@@H](CNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC001333151643 850328925 /nfs/dbraw/zinc/32/89/25/850328925.db2.gz ZHEPERGWHTUVBI-UONOGXRCSA-N -1 0 355.435 -0.073 20 0 FBADRM CC[C@H](CNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC001333151644 850329272 /nfs/dbraw/zinc/32/92/72/850329272.db2.gz ZHEPERGWHTUVBI-ZIAGYGMSSA-N -1 0 355.435 -0.073 20 0 FBADRM CC(=O)N1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C(=O)[O-])[C@@H](C)C3)C[C@@H]2C1 ZINC001333159916 850330459 /nfs/dbraw/zinc/33/04/59/850330459.db2.gz BESIQWQVVWSJHK-DEQVHRJGSA-N -1 0 351.403 -0.508 20 0 FBADRM CC(=O)N1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C(=O)[O-])[C@H](C)C3)C[C@@H]2C1 ZINC001333159918 850330022 /nfs/dbraw/zinc/33/00/22/850330022.db2.gz BESIQWQVVWSJHK-RUZUBIRVSA-N -1 0 351.403 -0.508 20 0 FBADRM CC(=O)N1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)C[C@@H]2C1 ZINC001333159921 850330369 /nfs/dbraw/zinc/33/03/69/850330369.db2.gz BESIQWQVVWSJHK-SCUASFONSA-N -1 0 351.403 -0.508 20 0 FBADRM CC(=O)N1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C(=O)[O-])[C@H](C)C3)C[C@@H]2C1 ZINC001333159923 850330817 /nfs/dbraw/zinc/33/08/17/850330817.db2.gz BESIQWQVVWSJHK-ZZVYKPCYSA-N -1 0 351.403 -0.508 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NCCN1Cc2ccccc2OCC1=O ZINC001333239860 850343278 /nfs/dbraw/zinc/34/32/78/850343278.db2.gz CRBSOVRZHCQZCE-UHFFFAOYSA-N -1 0 367.427 -0.065 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC001333277959 850348162 /nfs/dbraw/zinc/34/81/62/850348162.db2.gz GSMIYGWGCXBUHM-UHFFFAOYSA-N -1 0 354.794 -0.218 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@H](c1c(F)cccc1F)N(C)C ZINC001333285231 850349167 /nfs/dbraw/zinc/34/91/67/850349167.db2.gz DZJSFEHZGCDKCG-LLVKDONJSA-N -1 0 358.345 -0.523 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC001333285232 850349791 /nfs/dbraw/zinc/34/97/91/850349791.db2.gz DZJSFEHZGCDKCG-NSHDSACASA-N -1 0 358.345 -0.523 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001333294473 850350567 /nfs/dbraw/zinc/35/05/67/850350567.db2.gz AIGBLPPRRDKSNW-GFCCVEGCSA-N -1 0 357.313 -0.342 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001333294474 850350292 /nfs/dbraw/zinc/35/02/92/850350292.db2.gz AIGBLPPRRDKSNW-LBPRGKRZSA-N -1 0 357.313 -0.342 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(Br)cc1F ZINC001333295208 850350860 /nfs/dbraw/zinc/35/08/60/850350860.db2.gz FJPXEFRNPLTKPV-UHFFFAOYSA-N -1 0 362.155 -0.002 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCN(c2ccccc2F)C[C@H]1C ZINC001333296596 850350946 /nfs/dbraw/zinc/35/09/46/850350946.db2.gz PIMQJBFLMCYQSP-LLVKDONJSA-N -1 0 352.366 -0.343 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCN(c2ccccc2F)C[C@@H]1C ZINC001333296597 850350380 /nfs/dbraw/zinc/35/03/80/850350380.db2.gz PIMQJBFLMCYQSP-NSHDSACASA-N -1 0 352.366 -0.343 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)NCCO[C@@H]1CC1(F)F ZINC001333301046 850350722 /nfs/dbraw/zinc/35/07/22/850350722.db2.gz YKNVXASYKMKRQP-LLVKDONJSA-N -1 0 351.350 -0.161 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)NCCO[C@H]1CC1(F)F ZINC001333301048 850350975 /nfs/dbraw/zinc/35/09/75/850350975.db2.gz YKNVXASYKMKRQP-NSHDSACASA-N -1 0 351.350 -0.161 20 0 FBADRM O=C([O-])c1cn([C@H]2CCN(C(=O)CCN3CCCS3(=O)=O)C2)nn1 ZINC001333301768 850350618 /nfs/dbraw/zinc/35/06/18/850350618.db2.gz IGSQIFJPAXXBIQ-JTQLQIEISA-N -1 0 357.392 -0.825 20 0 FBADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)CCN3CCCS3(=O)=O)C2)nn1 ZINC001333301769 850350998 /nfs/dbraw/zinc/35/09/98/850350998.db2.gz IGSQIFJPAXXBIQ-SNVBAGLBSA-N -1 0 357.392 -0.825 20 0 FBADRM COc1c(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c(C)nn1C ZINC001333301814 850350392 /nfs/dbraw/zinc/35/03/92/850350392.db2.gz JYMUFYYKRPPDDF-INIZCTEOSA-N -1 0 352.391 -0.261 20 0 FBADRM COc1c(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c(C)nn1C ZINC001333301977 850350443 /nfs/dbraw/zinc/35/04/43/850350443.db2.gz JYMUFYYKRPPDDF-MRXNPFEDSA-N -1 0 352.391 -0.261 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1 ZINC001333302381 850350886 /nfs/dbraw/zinc/35/08/86/850350886.db2.gz RUHTUZKPWDJSGF-GFCCVEGCSA-N -1 0 362.452 -0.788 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)N2CCCC[C@H]2C(=O)[O-])CC1 ZINC001333302382 850350784 /nfs/dbraw/zinc/35/07/84/850350784.db2.gz RUHTUZKPWDJSGF-LBPRGKRZSA-N -1 0 362.452 -0.788 20 0 FBADRM CS(=O)(=O)CC1(CC(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001333302472 850350367 /nfs/dbraw/zinc/35/03/67/850350367.db2.gz SWKOZSDYZOURHR-JTQLQIEISA-N -1 0 356.404 -0.035 20 0 FBADRM CS(=O)(=O)CC1(CC(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001333302473 850350593 /nfs/dbraw/zinc/35/05/93/850350593.db2.gz SWKOZSDYZOURHR-SNVBAGLBSA-N -1 0 356.404 -0.035 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCC1(n2cc(Br)cn2)CC1 ZINC001333328732 850354893 /nfs/dbraw/zinc/35/48/93/850354893.db2.gz PVCNETXUWHXRPC-UHFFFAOYSA-N -1 0 361.196 -0.055 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC001333332788 850355042 /nfs/dbraw/zinc/35/50/42/850355042.db2.gz BMPWYIHDLQACBK-YGRLFVJLSA-N -1 0 353.350 -0.092 20 0 FBADRM O=C([O-])c1cn(CCNC(=O)[C@@H]2COCCN2CC(F)(F)F)cn1 ZINC001333334906 850355174 /nfs/dbraw/zinc/35/51/74/850355174.db2.gz NEPJHDAKVYZTOC-JTQLQIEISA-N -1 0 350.297 -0.039 20 0 FBADRM O=C([O-])c1cn(CCNC(=O)[C@H]2COCCN2CC(F)(F)F)cn1 ZINC001333334907 850354908 /nfs/dbraw/zinc/35/49/08/850354908.db2.gz NEPJHDAKVYZTOC-SNVBAGLBSA-N -1 0 350.297 -0.039 20 0 FBADRM Cn1nc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cc1OC(F)F ZINC001333363589 850359311 /nfs/dbraw/zinc/35/93/11/850359311.db2.gz DIQPANSHHHJOJV-UHFFFAOYSA-N -1 0 362.333 -0.120 20 0 FBADRM CCOCCn1cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cn1 ZINC001333364284 850358759 /nfs/dbraw/zinc/35/87/59/850358759.db2.gz FUPKNSCNWQGFQY-UHFFFAOYSA-N -1 0 354.407 -0.221 20 0 FBADRM O=C([O-])c1ccn(CC(=O)NC[C@H](N2CCOCC2)C(F)(F)F)n1 ZINC001333364340 850358751 /nfs/dbraw/zinc/35/87/51/850358751.db2.gz HIIBXHGSNMWKEO-JTQLQIEISA-N -1 0 350.297 -0.039 20 0 FBADRM O=C([O-])c1ccn(CC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)n1 ZINC001333364342 850359383 /nfs/dbraw/zinc/35/93/83/850359383.db2.gz HIIBXHGSNMWKEO-SNVBAGLBSA-N -1 0 350.297 -0.039 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC001333495810 850379917 /nfs/dbraw/zinc/37/99/17/850379917.db2.gz FRAFJLXDEBMGOW-GXTWGEPZSA-N -1 0 352.366 -0.519 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC001333495811 850379851 /nfs/dbraw/zinc/37/98/51/850379851.db2.gz FRAFJLXDEBMGOW-JSGCOSHPSA-N -1 0 352.366 -0.519 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC001333495812 850380463 /nfs/dbraw/zinc/38/04/63/850380463.db2.gz FRAFJLXDEBMGOW-OCCSQVGLSA-N -1 0 352.366 -0.519 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC001333495813 850380191 /nfs/dbraw/zinc/38/01/91/850380191.db2.gz FRAFJLXDEBMGOW-TZMCWYRMSA-N -1 0 352.366 -0.519 20 0 FBADRM Cn1cc(CCC(=O)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)nn1 ZINC001333515175 850382528 /nfs/dbraw/zinc/38/25/28/850382528.db2.gz BFOIAPHKTQMHBN-UHFFFAOYSA-N -1 0 372.428 -0.344 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1)[C@@H]1CCOC1 ZINC001333515441 850382230 /nfs/dbraw/zinc/38/22/30/850382230.db2.gz BMGMPQODSVICDB-PSASIEDQSA-N -1 0 363.417 -0.042 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1)[C@@H]1CCOC1 ZINC001333515463 850382947 /nfs/dbraw/zinc/38/29/47/850382947.db2.gz BMGMPQODSVICDB-SCZZXKLOSA-N -1 0 363.417 -0.042 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1)[C@H]1CCOC1 ZINC001333515464 850382807 /nfs/dbraw/zinc/38/28/07/850382807.db2.gz BMGMPQODSVICDB-WCBMZHEXSA-N -1 0 363.417 -0.042 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1)[C@H]1CCOC1 ZINC001333515465 850382630 /nfs/dbraw/zinc/38/26/30/850382630.db2.gz BMGMPQODSVICDB-WPRPVWTQSA-N -1 0 363.417 -0.042 20 0 FBADRM C[C@@H](CNC(=O)C(=O)Nc1ccc(OCCS(C)(=O)=O)cc1)C(=O)[O-] ZINC001333515764 850382182 /nfs/dbraw/zinc/38/21/82/850382182.db2.gz GEBNMMCALYKLIR-JTQLQIEISA-N -1 0 372.399 -0.115 20 0 FBADRM C[C@H](CNC(=O)C(=O)Nc1ccc(OCCS(C)(=O)=O)cc1)C(=O)[O-] ZINC001333515766 850382273 /nfs/dbraw/zinc/38/22/73/850382273.db2.gz GEBNMMCALYKLIR-SNVBAGLBSA-N -1 0 372.399 -0.115 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1)[C@H]1CCOC1 ZINC001333516151 850382898 /nfs/dbraw/zinc/38/28/98/850382898.db2.gz LCURHYYYNJQBGC-AAEUAGOBSA-N -1 0 371.415 -0.289 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1)[C@@H]1CCOC1 ZINC001333516153 850382319 /nfs/dbraw/zinc/38/23/19/850382319.db2.gz LCURHYYYNJQBGC-DGCLKSJQSA-N -1 0 371.415 -0.289 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1)[C@H]1CCOC1 ZINC001333516155 850382279 /nfs/dbraw/zinc/38/22/79/850382279.db2.gz LCURHYYYNJQBGC-WCQYABFASA-N -1 0 371.415 -0.289 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1)[C@@H]1CCOC1 ZINC001333516156 850382842 /nfs/dbraw/zinc/38/28/42/850382842.db2.gz LCURHYYYNJQBGC-YPMHNXCESA-N -1 0 371.415 -0.289 20 0 FBADRM C[C@H](CC[S@](C)=O)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001333516358 850382723 /nfs/dbraw/zinc/38/27/23/850382723.db2.gz UAXBSMBNGKIRAG-ITSYKEIMSA-N -1 0 358.420 -0.085 20 0 FBADRM C[C@H](CC[S@@](C)=O)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001333516360 850382856 /nfs/dbraw/zinc/38/28/56/850382856.db2.gz UAXBSMBNGKIRAG-MXUQEVIESA-N -1 0 358.420 -0.085 20 0 FBADRM C[C@@H](CC[S@@](C)=O)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001333516361 850383586 /nfs/dbraw/zinc/38/35/86/850383586.db2.gz UAXBSMBNGKIRAG-UZKFNYRNSA-N -1 0 358.420 -0.085 20 0 FBADRM C[C@@H](CC[S@](C)=O)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001333516362 850383971 /nfs/dbraw/zinc/38/39/71/850383971.db2.gz UAXBSMBNGKIRAG-VHMAXNEBSA-N -1 0 358.420 -0.085 20 0 FBADRM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCc2cn(C)nn2)c1 ZINC001333516456 850383941 /nfs/dbraw/zinc/38/39/41/850383941.db2.gz NDHMKPIZXBIIHM-UHFFFAOYSA-N -1 0 365.415 -0.045 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cnc3n2CCOC3)s1 ZINC001333516947 850383650 /nfs/dbraw/zinc/38/36/50/850383650.db2.gz SPTVAQBQKDXPOE-UHFFFAOYSA-N -1 0 356.385 -0.308 20 0 FBADRM COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N[C@H](C)C(=O)[O-] ZINC001333517571 850383951 /nfs/dbraw/zinc/38/39/51/850383951.db2.gz YWIFBIKSDZWDHO-MRVPVSSYSA-N -1 0 358.372 -0.232 20 0 FBADRM CO[C@@H]1CCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)[C@@H](C(=O)[O-])C1 ZINC001333521070 850383730 /nfs/dbraw/zinc/38/37/30/850383730.db2.gz CHNVCXAPBZGVMC-GKUNOOHESA-N -1 0 351.359 -0.812 20 0 FBADRM CO[C@@H]1CCN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)[C@H](C(=O)[O-])C1 ZINC001333521074 850383861 /nfs/dbraw/zinc/38/38/61/850383861.db2.gz CHNVCXAPBZGVMC-JYYSYOFASA-N -1 0 351.359 -0.812 20 0 FBADRM CO[C@@H]1CCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)[C@H](C(=O)[O-])C1 ZINC001333521077 850383589 /nfs/dbraw/zinc/38/35/89/850383589.db2.gz CHNVCXAPBZGVMC-RVAOTSRCSA-N -1 0 351.359 -0.812 20 0 FBADRM CO[C@@H]1CCN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)[C@@H](C(=O)[O-])C1 ZINC001333521080 850383562 /nfs/dbraw/zinc/38/35/62/850383562.db2.gz CHNVCXAPBZGVMC-XLMCQVRKSA-N -1 0 351.359 -0.812 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])cc2c1CCC2 ZINC001333521119 850383744 /nfs/dbraw/zinc/38/37/44/850383744.db2.gz COSBHHBKHXNKAL-YPMHNXCESA-N -1 0 354.384 -0.205 20 0 FBADRM COC(=O)CSCCC(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1 ZINC001333522450 850383575 /nfs/dbraw/zinc/38/35/75/850383575.db2.gz JRYDWBKVKXATJN-UHFFFAOYSA-N -1 0 366.461 -0.260 20 0 FBADRM CC(=O)NC[C@@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)CC(F)F)c2C1 ZINC001333523113 850383499 /nfs/dbraw/zinc/38/34/99/850383499.db2.gz MWAVWMWGXJHPJK-SECBINFHSA-N -1 0 364.374 -0.094 20 0 FBADRM CC(=O)NC[C@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)CC(F)F)c2C1 ZINC001333523114 850384138 /nfs/dbraw/zinc/38/41/38/850384138.db2.gz MWAVWMWGXJHPJK-VIFPVBQESA-N -1 0 364.374 -0.094 20 0 FBADRM CC(C)(NS(C)(=O)=O)C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001333523617 850383471 /nfs/dbraw/zinc/38/34/71/850383471.db2.gz NZWFDHSJZKVPAU-UHFFFAOYSA-N -1 0 359.408 -0.532 20 0 FBADRM CC(=O)N1CCc2sc(S(=O)(=O)[N-]C(=O)[C@H]3COCCO3)cc2C1 ZINC001333523645 850384126 /nfs/dbraw/zinc/38/41/26/850384126.db2.gz OFWVTQHRAOODFI-LLVKDONJSA-N -1 0 374.440 -0.127 20 0 FBADRM CC(=O)N1CCc2sc(S(=O)(=O)[N-]C(=O)[C@@H]3COCCO3)cc2C1 ZINC001333523647 850384107 /nfs/dbraw/zinc/38/41/07/850384107.db2.gz OFWVTQHRAOODFI-NSHDSACASA-N -1 0 374.440 -0.127 20 0 FBADRM CC(=O)N1CCc2sc(S(=O)(=O)[N-]C(=O)c3ncn(C)n3)cc2C1 ZINC001333523932 850383985 /nfs/dbraw/zinc/38/39/85/850383985.db2.gz QHVARBJRAFXLOW-UHFFFAOYSA-N -1 0 369.428 -0.100 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001333524154 850383444 /nfs/dbraw/zinc/38/34/44/850383444.db2.gz REKBRIGVVPDHCL-LLVKDONJSA-N -1 0 369.461 -0.691 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC001333524155 850383842 /nfs/dbraw/zinc/38/38/42/850383842.db2.gz REKBRIGVVPDHCL-NSHDSACASA-N -1 0 369.461 -0.691 20 0 FBADRM CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)C2CCN(C(C)=O)CC2)n1 ZINC001333524711 850383801 /nfs/dbraw/zinc/38/38/01/850383801.db2.gz SPEKWBGPQIPQKC-UHFFFAOYSA-N -1 0 368.415 -0.488 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CN(C)[C@@H]2CCSC2)CC1 ZINC001333524720 850383884 /nfs/dbraw/zinc/38/38/84/850383884.db2.gz SYDJFJGAVTVMGV-GFCCVEGCSA-N -1 0 363.505 -0.119 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CN(C)[C@H]2CCSC2)CC1 ZINC001333524721 850383415 /nfs/dbraw/zinc/38/34/15/850383415.db2.gz SYDJFJGAVTVMGV-LBPRGKRZSA-N -1 0 363.505 -0.119 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)[C@H]1CCOC1 ZINC001333524786 850384072 /nfs/dbraw/zinc/38/40/72/850384072.db2.gz VIMJTUMRPVNRCR-GVXVVHGQSA-N -1 0 359.404 -0.299 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)[C@H]1CCOC1 ZINC001333524790 850383663 /nfs/dbraw/zinc/38/36/63/850383663.db2.gz VIMJTUMRPVNRCR-LOWVWBTDSA-N -1 0 359.404 -0.299 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC001333524792 850383484 /nfs/dbraw/zinc/38/34/84/850383484.db2.gz VIMJTUMRPVNRCR-MDZLAQPJSA-N -1 0 359.404 -0.299 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC001333524795 850384177 /nfs/dbraw/zinc/38/41/77/850384177.db2.gz VIMJTUMRPVNRCR-WZRBSPASSA-N -1 0 359.404 -0.299 20 0 FBADRM CC(C)(CCNC(=O)C(=O)NCCC1(CS(C)(=O)=O)CC1)C(=O)[O-] ZINC001333532664 850385186 /nfs/dbraw/zinc/38/51/86/850385186.db2.gz SIIDTLXRYDULTK-UHFFFAOYSA-N -1 0 362.448 -0.065 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCN(C3CCOCC3)CC2)CCC1 ZINC001333534188 850384719 /nfs/dbraw/zinc/38/47/19/850384719.db2.gz ZHAIDZOOATZORD-UHFFFAOYSA-N -1 0 353.419 -0.319 20 0 FBADRM Cc1cncc(CCNC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)n1 ZINC001333534265 850384865 /nfs/dbraw/zinc/38/48/65/850384865.db2.gz ZKYGMQDDWSCCMB-UHFFFAOYSA-N -1 0 350.375 -0.559 20 0 FBADRM CC(=O)NCCNC(=O)CCC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC001333550589 850387706 /nfs/dbraw/zinc/38/77/06/850387706.db2.gz FKNZQSZTAWSPNU-UHFFFAOYSA-N -1 0 357.407 -0.499 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cccc(N2CCNC2=O)c1 ZINC001333588350 850392910 /nfs/dbraw/zinc/39/29/10/850392910.db2.gz QYINREFIFXVOQE-UHFFFAOYSA-N -1 0 371.415 -0.061 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC3(CC2)OCCO3)C[C@H]1C1CC1 ZINC001333595100 850393277 /nfs/dbraw/zinc/39/32/77/850393277.db2.gz DZBJWNQAZVGLGY-QWHCGFSZSA-N -1 0 352.387 -0.079 20 0 FBADRM COCCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001333612444 850395756 /nfs/dbraw/zinc/39/57/56/850395756.db2.gz UWEKPBDQMQWKLQ-HZSPNIEDSA-N -1 0 354.403 -0.181 20 0 FBADRM COCCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001333612445 850395645 /nfs/dbraw/zinc/39/56/45/850395645.db2.gz UWEKPBDQMQWKLQ-MELADBBJSA-N -1 0 354.403 -0.181 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)N2CCc3sccc3C2)n(C)c1=O ZINC001333619096 850396646 /nfs/dbraw/zinc/39/66/46/850396646.db2.gz DKLQFSLXNKBPKS-UHFFFAOYSA-N -1 0 356.429 -0.182 20 0 FBADRM CC(C)(C)CN(CC(=O)[O-])CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001333622904 850396178 /nfs/dbraw/zinc/39/61/78/850396178.db2.gz REQJANYQTYUNRM-JTQLQIEISA-N -1 0 363.436 -0.568 20 0 FBADRM CC(C)(C)CN(CC(=O)[O-])CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001333622905 850396238 /nfs/dbraw/zinc/39/62/38/850396238.db2.gz REQJANYQTYUNRM-SNVBAGLBSA-N -1 0 363.436 -0.568 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@H]3OCCC[C@@H]3C1)C2 ZINC001333638439 850398869 /nfs/dbraw/zinc/39/88/69/850398869.db2.gz FNNXAXMNTNBELX-HPTBWKMGSA-N -1 0 352.387 -0.427 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@@H]3OCCC[C@@H]3C1)C2 ZINC001333638440 850398777 /nfs/dbraw/zinc/39/87/77/850398777.db2.gz FNNXAXMNTNBELX-KOFHJDLBSA-N -1 0 352.387 -0.427 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@@H]3OCCC[C@H]3C1)C2 ZINC001333638441 850398977 /nfs/dbraw/zinc/39/89/77/850398977.db2.gz FNNXAXMNTNBELX-PFHKOEEOSA-N -1 0 352.387 -0.427 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[C@H]3OCCC[C@H]3C1)C2 ZINC001333638442 850399225 /nfs/dbraw/zinc/39/92/25/850399225.db2.gz FNNXAXMNTNBELX-SFDCBXKLSA-N -1 0 352.387 -0.427 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1 ZINC001333640830 850399240 /nfs/dbraw/zinc/39/92/40/850399240.db2.gz RLRLAFGAZAEDLA-NEPJUHHUSA-N -1 0 351.403 -0.173 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)CC1 ZINC001333640836 850399143 /nfs/dbraw/zinc/39/91/43/850399143.db2.gz RLRLAFGAZAEDLA-NWDGAFQWSA-N -1 0 351.403 -0.173 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1 ZINC001333640841 850398883 /nfs/dbraw/zinc/39/88/83/850398883.db2.gz RLRLAFGAZAEDLA-RYUDHWBXSA-N -1 0 351.403 -0.173 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1 ZINC001333640846 850399098 /nfs/dbraw/zinc/39/90/98/850399098.db2.gz RLRLAFGAZAEDLA-VXGBXAGGSA-N -1 0 351.403 -0.173 20 0 FBADRM CC[C@H](CN1CCOCC1)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001333643565 850398748 /nfs/dbraw/zinc/39/87/48/850398748.db2.gz ILJRONRVDZHEFQ-BFHYXJOUSA-N -1 0 355.435 -0.217 20 0 FBADRM CC[C@H](CN1CCOCC1)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001333643566 850399312 /nfs/dbraw/zinc/39/93/12/850399312.db2.gz ILJRONRVDZHEFQ-MCIONIFRSA-N -1 0 355.435 -0.217 20 0 FBADRM CC[C@H](CN1CCOCC1)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001333643567 850398702 /nfs/dbraw/zinc/39/87/02/850398702.db2.gz ILJRONRVDZHEFQ-MGPQQGTHSA-N -1 0 355.435 -0.217 20 0 FBADRM CC[C@H](CN1CCOCC1)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001333643568 850399153 /nfs/dbraw/zinc/39/91/53/850399153.db2.gz ILJRONRVDZHEFQ-MJBXVCDLSA-N -1 0 355.435 -0.217 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCN2CC(F)(F)F)CCO1 ZINC001333644100 850398640 /nfs/dbraw/zinc/39/86/40/850398640.db2.gz JLULJTVZLXDHJJ-NXEZZACHSA-N -1 0 367.324 -0.559 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCN2CC(F)(F)F)CCO1 ZINC001333644101 850399008 /nfs/dbraw/zinc/39/90/08/850399008.db2.gz JLULJTVZLXDHJJ-UWVGGRQHSA-N -1 0 367.324 -0.559 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCN2CC(F)(F)F)CCO1 ZINC001333644102 850398504 /nfs/dbraw/zinc/39/85/04/850398504.db2.gz JLULJTVZLXDHJJ-VHSXEESVSA-N -1 0 367.324 -0.559 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCN2CC(F)(F)F)CCO1 ZINC001333644104 850399050 /nfs/dbraw/zinc/39/90/50/850399050.db2.gz JLULJTVZLXDHJJ-ZJUUUORDSA-N -1 0 367.324 -0.559 20 0 FBADRM COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@](C)(OC)C(=O)[O-])CC1 ZINC001333657399 850399996 /nfs/dbraw/zinc/39/99/96/850399996.db2.gz ASTFFSHDKBFYGK-BLLLJJGKSA-N -1 0 359.423 -0.839 20 0 FBADRM COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@](C)(OC)C(=O)[O-])CC1 ZINC001333657400 850399943 /nfs/dbraw/zinc/39/99/43/850399943.db2.gz ASTFFSHDKBFYGK-LRDDRELGSA-N -1 0 359.423 -0.839 20 0 FBADRM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@](C)(OC)C(=O)[O-])CC1 ZINC001333657401 850400038 /nfs/dbraw/zinc/40/00/38/850400038.db2.gz ASTFFSHDKBFYGK-MLGOLLRUSA-N -1 0 359.423 -0.839 20 0 FBADRM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@](C)(OC)C(=O)[O-])CC1 ZINC001333657402 850400055 /nfs/dbraw/zinc/40/00/55/850400055.db2.gz ASTFFSHDKBFYGK-WBMJQRKESA-N -1 0 359.423 -0.839 20 0 FBADRM COc1cc(C(=O)NC2(C(=O)[O-])CCOCC2)ccc1OCC(N)=O ZINC001333658825 850399921 /nfs/dbraw/zinc/39/99/21/850399921.db2.gz PYDUTSRUWJTUNB-UHFFFAOYSA-N -1 0 352.343 -0.077 20 0 FBADRM CN(CC(=O)NC1(C(=O)[O-])CCOCC1)S(=O)(=O)c1cccnc1 ZINC001333659354 850399776 /nfs/dbraw/zinc/39/97/76/850399776.db2.gz WOCFSFWALIKXQX-UHFFFAOYSA-N -1 0 357.388 -0.548 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCc1sccc1Br ZINC001333661187 850401202 /nfs/dbraw/zinc/40/12/02/850401202.db2.gz GCIZFNFLNVOVNU-UHFFFAOYSA-N -1 0 364.221 -0.037 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C(=O)c1cnn(C(C)(C)C)c1)OC ZINC001333670943 850400731 /nfs/dbraw/zinc/40/07/31/850400731.db2.gz BYUQVINYXXEZLY-LLVKDONJSA-N -1 0 361.420 -0.072 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C(=O)c1cnn(C(C)(C)C)c1)OC ZINC001333670944 850401327 /nfs/dbraw/zinc/40/13/27/850401327.db2.gz BYUQVINYXXEZLY-NSHDSACASA-N -1 0 361.420 -0.072 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1c(C)oc2ncn(C)c(=O)c21)OC ZINC001333671390 850400993 /nfs/dbraw/zinc/40/09/93/850400993.db2.gz HVEBIPMVYYTBNB-SECBINFHSA-N -1 0 373.387 -0.444 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1c(C)oc2ncn(C)c(=O)c21)OC ZINC001333671404 850401336 /nfs/dbraw/zinc/40/13/36/850401336.db2.gz HVEBIPMVYYTBNB-VIFPVBQESA-N -1 0 373.387 -0.444 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)CCc1ocnc1C(=O)OC)OC ZINC001333672124 850400877 /nfs/dbraw/zinc/40/08/77/850400877.db2.gz VDXDHCQOPQSGLJ-SECBINFHSA-N -1 0 364.376 -0.499 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)CCc1ocnc1C(=O)OC)OC ZINC001333672125 850400771 /nfs/dbraw/zinc/40/07/71/850400771.db2.gz VDXDHCQOPQSGLJ-VIFPVBQESA-N -1 0 364.376 -0.499 20 0 FBADRM C[C@@H](CC(=O)[O-])NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC001333756688 850409740 /nfs/dbraw/zinc/40/97/40/850409740.db2.gz OQMDTJTXQJPMLS-LURJTMIESA-N -1 0 372.179 -0.128 20 0 FBADRM C[C@H](CC(=O)[O-])NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC001333756689 850409898 /nfs/dbraw/zinc/40/98/98/850409898.db2.gz OQMDTJTXQJPMLS-ZCFIWIBFSA-N -1 0 372.179 -0.128 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCC(Oc2cccc(F)c2)CC1 ZINC001333775706 850412173 /nfs/dbraw/zinc/41/21/73/850412173.db2.gz RZDBRBQFIUYKLI-UHFFFAOYSA-N -1 0 353.350 -0.011 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCN(CCc2cccs2)CC1 ZINC001333776104 850412273 /nfs/dbraw/zinc/41/22/73/850412273.db2.gz VULUULSUUTYNKQ-UHFFFAOYSA-N -1 0 354.432 -0.771 20 0 FBADRM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cnn(C[C@@H](O)CO)c1 ZINC001333782448 850413307 /nfs/dbraw/zinc/41/33/07/850413307.db2.gz CZEUOUDEHCLICZ-LLVKDONJSA-N -1 0 351.363 -0.864 20 0 FBADRM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cnn(C[C@H](O)CO)c1 ZINC001333782450 850413401 /nfs/dbraw/zinc/41/34/01/850413401.db2.gz CZEUOUDEHCLICZ-NSHDSACASA-N -1 0 351.363 -0.864 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCN(C)CC(F)(F)F)C1 ZINC001333829790 850418293 /nfs/dbraw/zinc/41/82/93/850418293.db2.gz ZKAUVBICONKTPC-CYBMUJFWSA-N -1 0 369.340 -0.454 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCN(C)CC(F)(F)F)C1 ZINC001333829791 850418396 /nfs/dbraw/zinc/41/83/96/850418396.db2.gz ZKAUVBICONKTPC-ZDUSSCGKSA-N -1 0 369.340 -0.454 20 0 FBADRM O=C([O-])[C@H]1Cn2cnnc2CN1S(=O)(=O)c1cnn(CC2CC2)c1 ZINC001333858450 850421737 /nfs/dbraw/zinc/42/17/37/850421737.db2.gz KOYDRLWERLFJRB-LLVKDONJSA-N -1 0 352.376 -0.458 20 0 FBADRM O=C([O-])[C@@H]1Cn2cnnc2CN1S(=O)(=O)c1cnn(CC2CC2)c1 ZINC001333858462 850421618 /nfs/dbraw/zinc/42/16/18/850421618.db2.gz KOYDRLWERLFJRB-NSHDSACASA-N -1 0 352.376 -0.458 20 0 FBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N(CCN1CCOCC1)CC1CC1 ZINC001333861835 850421644 /nfs/dbraw/zinc/42/16/44/850421644.db2.gz UPQBWDYMNDUCKE-HDJSIYSDSA-N -1 0 353.419 -0.463 20 0 FBADRM CNC(=O)CN1CCC(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)CC1 ZINC001333873555 850422880 /nfs/dbraw/zinc/42/28/80/850422880.db2.gz KJDVPTQGTIIUAY-UHFFFAOYSA-N -1 0 351.451 -0.299 20 0 FBADRM COC(=O)N1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC001333887847 850424286 /nfs/dbraw/zinc/42/42/86/850424286.db2.gz IGSXUOFYGLKXEO-UHFFFAOYSA-N -1 0 357.388 -0.046 20 0 FBADRM O=C([O-])[C@H]1Cn2cnnc2CN1S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC001333912426 850425242 /nfs/dbraw/zinc/42/52/42/850425242.db2.gz FODUXNGCPCYKIW-LLVKDONJSA-N -1 0 364.339 -0.394 20 0 FBADRM O=C([O-])[C@@H]1Cn2cnnc2CN1S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC001333912427 850425320 /nfs/dbraw/zinc/42/53/20/850425320.db2.gz FODUXNGCPCYKIW-NSHDSACASA-N -1 0 364.339 -0.394 20 0 FBADRM CC(C)CO[N-]C(=O)C(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC001333934823 850428377 /nfs/dbraw/zinc/42/83/77/850428377.db2.gz PHDHHPBTSNKTOQ-UHFFFAOYSA-N -1 0 357.432 -0.074 20 0 FBADRM CN(C[C@@H]1CCCN(C(=O)c2cnc(C(=O)[O-])cn2)C1)S(C)(=O)=O ZINC001333945845 850428452 /nfs/dbraw/zinc/42/84/52/850428452.db2.gz SAYQGEFKVOLIBJ-JTQLQIEISA-N -1 0 356.404 -0.082 20 0 FBADRM CN(C[C@H]1CCCN(C(=O)c2cnc(C(=O)[O-])cn2)C1)S(C)(=O)=O ZINC001333945847 850427873 /nfs/dbraw/zinc/42/78/73/850427873.db2.gz SAYQGEFKVOLIBJ-SNVBAGLBSA-N -1 0 356.404 -0.082 20 0 FBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2=O)n1 ZINC001333984850 850435219 /nfs/dbraw/zinc/43/52/19/850435219.db2.gz JCGZFEVSNOPLGW-JTQLQIEISA-N -1 0 351.388 -0.511 20 0 FBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2=O)n1 ZINC001333984857 850435640 /nfs/dbraw/zinc/43/56/40/850435640.db2.gz JCGZFEVSNOPLGW-SNVBAGLBSA-N -1 0 351.388 -0.511 20 0 FBADRM CCN(C)C(=O)Cn1nnnc1N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001334002647 850437612 /nfs/dbraw/zinc/43/76/12/850437612.db2.gz FPLXYIIHGAUVLO-GFCCVEGCSA-N -1 0 363.344 -0.201 20 0 FBADRM CCN(C)C(=O)Cn1nnnc1N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001334002648 850437680 /nfs/dbraw/zinc/43/76/80/850437680.db2.gz FPLXYIIHGAUVLO-LBPRGKRZSA-N -1 0 363.344 -0.201 20 0 FBADRM CN(CCc1ccccc1)CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001334015092 850440068 /nfs/dbraw/zinc/44/00/68/850440068.db2.gz BGCYKAZCKXCELJ-AWEZNQCLSA-N -1 0 354.428 -0.129 20 0 FBADRM CN(CCc1ccccc1)CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001334015093 850440021 /nfs/dbraw/zinc/44/00/21/850440021.db2.gz BGCYKAZCKXCELJ-CQSZACIVSA-N -1 0 354.428 -0.129 20 0 FBADRM C[C@@H](NC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)C(=O)[O-] ZINC001334163761 850454656 /nfs/dbraw/zinc/45/46/56/850454656.db2.gz GBBSSLBPZXWDOP-SNVBAGLBSA-N -1 0 363.436 -0.268 20 0 FBADRM Cc1nc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c(=O)[nH]c1C ZINC001334163792 850454931 /nfs/dbraw/zinc/45/49/31/850454931.db2.gz HBUYLNUFMCSAQJ-INIZCTEOSA-N -1 0 350.375 -0.612 20 0 FBADRM Cc1nc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c(=O)[nH]c1C ZINC001334163793 850454951 /nfs/dbraw/zinc/45/49/51/850454951.db2.gz HBUYLNUFMCSAQJ-MRXNPFEDSA-N -1 0 350.375 -0.612 20 0 FBADRM CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NCC(=O)[O-])CC1 ZINC001334164463 850454840 /nfs/dbraw/zinc/45/48/40/850454840.db2.gz NXFKXYIMMRODHR-UHFFFAOYSA-N -1 0 370.431 -0.494 20 0 FBADRM O=C([O-])[C@]1(N2CCN(C(=O)c3cn4c(n3)COCC4)CC2)CCOC1 ZINC001334182320 850457013 /nfs/dbraw/zinc/45/70/13/850457013.db2.gz KNMAHKLISFZYBN-INIZCTEOSA-N -1 0 350.375 -0.585 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(C(=O)c3cn4c(n3)COCC4)CC2)CCOC1 ZINC001334182323 850456867 /nfs/dbraw/zinc/45/68/67/850456867.db2.gz KNMAHKLISFZYBN-MRXNPFEDSA-N -1 0 350.375 -0.585 20 0 FBADRM COCc1nn(C)cc1C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001334201356 850458009 /nfs/dbraw/zinc/45/80/09/850458009.db2.gz HUFAWCOUILNSFR-INIZCTEOSA-N -1 0 352.391 -0.432 20 0 FBADRM COCc1nn(C)cc1C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001334201357 850458031 /nfs/dbraw/zinc/45/80/31/850458031.db2.gz HUFAWCOUILNSFR-MRXNPFEDSA-N -1 0 352.391 -0.432 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC001334241668 850463001 /nfs/dbraw/zinc/46/30/01/850463001.db2.gz TWOZKVJEXVVLLR-LLVKDONJSA-N -1 0 354.794 -0.171 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC001334241670 850462722 /nfs/dbraw/zinc/46/27/22/850462722.db2.gz TWOZKVJEXVVLLR-NSHDSACASA-N -1 0 354.794 -0.171 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC001334244994 850462887 /nfs/dbraw/zinc/46/28/87/850462887.db2.gz UPFQMTQHQPKUMO-BDAKNGLRSA-N -1 0 355.313 -0.261 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC001334244995 850463184 /nfs/dbraw/zinc/46/31/84/850463184.db2.gz UPFQMTQHQPKUMO-DTWKUNHWSA-N -1 0 355.313 -0.261 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC001334244996 850464036 /nfs/dbraw/zinc/46/40/36/850464036.db2.gz UPFQMTQHQPKUMO-IUCAKERBSA-N -1 0 355.313 -0.261 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC001334244997 850464216 /nfs/dbraw/zinc/46/42/16/850464216.db2.gz UPFQMTQHQPKUMO-RKDXNWHRSA-N -1 0 355.313 -0.261 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)Cc1c(Br)cnn1C ZINC001334249091 850464416 /nfs/dbraw/zinc/46/44/16/850464416.db2.gz ZMCNZOXQCJCYPL-UHFFFAOYSA-N -1 0 362.209 -0.036 20 0 FBADRM O=C([O-])[C@H]1Cn2cnnc2CN1S(=O)(=O)c1cnn(CC(F)F)c1 ZINC001334364888 850479651 /nfs/dbraw/zinc/47/96/51/850479651.db2.gz KYAGEXHJQHNGAZ-MRVPVSSYSA-N -1 0 362.318 -0.603 20 0 FBADRM O=C([O-])[C@@H]1Cn2cnnc2CN1S(=O)(=O)c1cnn(CC(F)F)c1 ZINC001334364889 850479537 /nfs/dbraw/zinc/47/95/37/850479537.db2.gz KYAGEXHJQHNGAZ-QMMMGPOBSA-N -1 0 362.318 -0.603 20 0 FBADRM CCn1nc(C)c(S(=O)(=O)N2Cc3nncn3C[C@H]2C(=O)[O-])c1C ZINC001334365671 850479385 /nfs/dbraw/zinc/47/93/85/850479385.db2.gz UJSDNPAZDCATOR-JTQLQIEISA-N -1 0 354.392 -0.231 20 0 FBADRM CCn1nc(C)c(S(=O)(=O)N2Cc3nncn3C[C@@H]2C(=O)[O-])c1C ZINC001334365679 850479472 /nfs/dbraw/zinc/47/94/72/850479472.db2.gz UJSDNPAZDCATOR-SNVBAGLBSA-N -1 0 354.392 -0.231 20 0 FBADRM CNS(=O)(=O)NC1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC001334390898 850483174 /nfs/dbraw/zinc/48/31/74/850483174.db2.gz ZHKUCADOFARTCF-UHFFFAOYSA-N -1 0 355.376 -0.413 20 0 FBADRM CC[C@H](CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C(=O)[O-] ZINC001334421393 850486372 /nfs/dbraw/zinc/48/63/72/850486372.db2.gz CBHUFSILPMOYEY-QWHCGFSZSA-N -1 0 355.435 -0.075 20 0 FBADRM CC[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C(=O)[O-] ZINC001334421395 850486845 /nfs/dbraw/zinc/48/68/45/850486845.db2.gz CBHUFSILPMOYEY-STQMWFEESA-N -1 0 355.435 -0.075 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCS(=O)(=O)C[C@@H]1C1CC1 ZINC001334437531 850488656 /nfs/dbraw/zinc/48/86/56/850488656.db2.gz VLGQWYYWPQGPJO-LLVKDONJSA-N -1 0 351.388 -0.893 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCS(=O)(=O)C[C@H]1C1CC1 ZINC001334437533 850488678 /nfs/dbraw/zinc/48/86/78/850488678.db2.gz VLGQWYYWPQGPJO-NSHDSACASA-N -1 0 351.388 -0.893 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC001334510198 850497559 /nfs/dbraw/zinc/49/75/59/850497559.db2.gz KSUDTBKIUPZNGW-UHFFFAOYSA-N -1 0 354.794 -0.218 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001334510317 850497345 /nfs/dbraw/zinc/49/73/45/850497345.db2.gz LDVZRAACQJAQQM-UHFFFAOYSA-N -1 0 368.821 -0.222 20 0 FBADRM O=C(COCC(=O)NCc1cccnc1)[N-]OCCN1CCCC1=O ZINC001334565012 850504040 /nfs/dbraw/zinc/50/40/40/850504040.db2.gz CMPHBFMONJRSKO-UHFFFAOYSA-N -1 0 350.375 -0.615 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NCc1cc(Br)cs1 ZINC001334572150 850505194 /nfs/dbraw/zinc/50/51/94/850505194.db2.gz AIENDYSZKREBEJ-UHFFFAOYSA-N -1 0 350.194 -0.079 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(Br)s1 ZINC001334572574 850505467 /nfs/dbraw/zinc/50/54/67/850505467.db2.gz DFTGAVOLPUYQPC-UHFFFAOYSA-N -1 0 350.194 -0.079 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NCc1csc(Br)c1 ZINC001334574592 850506446 /nfs/dbraw/zinc/50/64/46/850506446.db2.gz VTFFSRRNGURTRK-UHFFFAOYSA-N -1 0 350.194 -0.079 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC001334589815 850508212 /nfs/dbraw/zinc/50/82/12/850508212.db2.gz DGLCLSOKLJDKLD-LLVKDONJSA-N -1 0 352.366 -0.438 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC001334589816 850508405 /nfs/dbraw/zinc/50/84/05/850508405.db2.gz DGLCLSOKLJDKLD-NSHDSACASA-N -1 0 352.366 -0.438 20 0 FBADRM O=C([O-])CC1(CNC(=O)C2(n3cnnn3)CCOCC2)CCOCC1 ZINC001334655571 850518922 /nfs/dbraw/zinc/51/89/22/850518922.db2.gz CICJDRMXNJTOKK-UHFFFAOYSA-N -1 0 353.379 -0.434 20 0 FBADRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)CCO1 ZINC001334680076 850520820 /nfs/dbraw/zinc/52/08/20/850520820.db2.gz ADJQWRVVKHJLIN-GFCCVEGCSA-N -1 0 361.397 -0.411 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)CCO1 ZINC001334680077 850520652 /nfs/dbraw/zinc/52/06/52/850520652.db2.gz ADJQWRVVKHJLIN-LBPRGKRZSA-N -1 0 361.397 -0.411 20 0 FBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)cc2=O)n1 ZINC001334735207 850527927 /nfs/dbraw/zinc/52/79/27/850527927.db2.gz SDRXATUFXSSEOP-HNNXBMFYSA-N -1 0 365.415 -0.121 20 0 FBADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@]3(C)CCS(=O)(=O)C3)cc2=O)n1 ZINC001334735208 850527599 /nfs/dbraw/zinc/52/75/99/850527599.db2.gz SDRXATUFXSSEOP-OAHLLOKOSA-N -1 0 365.415 -0.121 20 0 FBADRM CCN(CC)S(=O)(=O)N1CCN(Cc2cn(C)nc2C(=O)[O-])CC1 ZINC001334768424 850531236 /nfs/dbraw/zinc/53/12/36/850531236.db2.gz OVLXCIPZHZBGCL-UHFFFAOYSA-N -1 0 359.452 -0.178 20 0 FBADRM O=C([O-])c1ccc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)nc1 ZINC001334771677 850532220 /nfs/dbraw/zinc/53/22/20/850532220.db2.gz PCGSLUANPMWRND-UHFFFAOYSA-N -1 0 370.431 -0.526 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N1CCCN(CC(F)F)CC1 ZINC001334779687 850532398 /nfs/dbraw/zinc/53/23/98/850532398.db2.gz PYKUHNUEOPHEKJ-UHFFFAOYSA-N -1 0 365.377 -0.265 20 0 FBADRM C[C@@H](NC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001334831315 850540616 /nfs/dbraw/zinc/54/06/16/850540616.db2.gz HAKRZUKQMNBDON-CHWFTXMASA-N -1 0 360.432 -0.459 20 0 FBADRM C[C@@H](NC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001334831316 850540605 /nfs/dbraw/zinc/54/06/05/850540605.db2.gz HAKRZUKQMNBDON-VPOLOUISSA-N -1 0 360.432 -0.459 20 0 FBADRM C[C@H](NC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001334831317 850540444 /nfs/dbraw/zinc/54/04/44/850540444.db2.gz HAKRZUKQMNBDON-XWLWVQCSSA-N -1 0 360.432 -0.459 20 0 FBADRM C[C@H](NC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001334831318 850540665 /nfs/dbraw/zinc/54/06/65/850540665.db2.gz HAKRZUKQMNBDON-ZRUFSTJUSA-N -1 0 360.432 -0.459 20 0 FBADRM O=C([O-])c1cc(S(=O)(=O)N2CCN(CCO)CC2)cc2c1OCCO2 ZINC001334833163 850540581 /nfs/dbraw/zinc/54/05/81/850540581.db2.gz OUBSLSUWRGHSPU-UHFFFAOYSA-N -1 0 372.399 -0.545 20 0 FBADRM Cn1ncc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c1Br ZINC001334919591 850547695 /nfs/dbraw/zinc/54/76/95/850547695.db2.gz UNWIZTPKIQJYSX-UHFFFAOYSA-N -1 0 356.184 -0.181 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC001334937965 850550733 /nfs/dbraw/zinc/55/07/33/850550733.db2.gz ZARDEUNGKKHYHR-LLVKDONJSA-N -1 0 359.367 -0.284 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC001334937966 850550718 /nfs/dbraw/zinc/55/07/18/850550718.db2.gz ZARDEUNGKKHYHR-NSHDSACASA-N -1 0 359.367 -0.284 20 0 FBADRM C[C@@H](CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])Cn1cccn1 ZINC001334947475 850552649 /nfs/dbraw/zinc/55/26/49/850552649.db2.gz IRXKXFZJKOJVHU-AWEZNQCLSA-N -1 0 353.423 -0.052 20 0 FBADRM C[C@H](CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])Cn1cccn1 ZINC001334947476 850552499 /nfs/dbraw/zinc/55/24/99/850552499.db2.gz IRXKXFZJKOJVHU-CQSZACIVSA-N -1 0 353.423 -0.052 20 0 FBADRM Cc1oc(C(=O)N2CCC(O)(C(=O)[O-])CC2)cc1S(=O)(=O)N(C)C ZINC001334949038 850552723 /nfs/dbraw/zinc/55/27/23/850552723.db2.gz UYSKBBSCRWWOSJ-UHFFFAOYSA-N -1 0 360.388 -0.110 20 0 FBADRM CO[C@]1(CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])CCSC1 ZINC001334964023 850554532 /nfs/dbraw/zinc/55/45/32/850554532.db2.gz YMOIQVKKNXPGEN-HNNXBMFYSA-N -1 0 361.464 -0.063 20 0 FBADRM CO[C@@]1(CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])CCSC1 ZINC001334964025 850554624 /nfs/dbraw/zinc/55/46/24/850554624.db2.gz YMOIQVKKNXPGEN-OAHLLOKOSA-N -1 0 361.464 -0.063 20 0 FBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)C1(N2CCOCC2)CC1 ZINC001334980366 850559168 /nfs/dbraw/zinc/55/91/68/850559168.db2.gz GZYMELFERFECDB-CYBMUJFWSA-N -1 0 353.419 -0.367 20 0 FBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)C1(N2CCOCC2)CC1 ZINC001334980368 850558851 /nfs/dbraw/zinc/55/88/51/850558851.db2.gz GZYMELFERFECDB-ZDUSSCGKSA-N -1 0 353.419 -0.367 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC001334987487 850558617 /nfs/dbraw/zinc/55/86/17/850558617.db2.gz GYRGLMQPDXYBFY-AOOOYVTPSA-N -1 0 368.356 -0.346 20 0 FBADRM O=c1cc(CN2CCN(C[C@@H]3CCCS3(=O)=O)CC2)nc2cc[n-]n21 ZINC001335025412 850565640 /nfs/dbraw/zinc/56/56/40/850565640.db2.gz BDDGUSCAJHNONF-AWEZNQCLSA-N -1 0 365.459 -0.283 20 0 FBADRM O=c1cc(CN2CCN(C[C@H]3CCCS3(=O)=O)CC2)nc2cc[n-]n21 ZINC001335025413 850565948 /nfs/dbraw/zinc/56/59/48/850565948.db2.gz BDDGUSCAJHNONF-CQSZACIVSA-N -1 0 365.459 -0.283 20 0 FBADRM CO[N-]C(=O)Cn1nnnc1N1CCN(c2ccc(F)cc2F)CC1 ZINC001335040754 850568501 /nfs/dbraw/zinc/56/85/01/850568501.db2.gz KKXFZSQCHUSWMG-UHFFFAOYSA-N -1 0 353.333 -0.045 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)cn1 ZINC001335056468 850571790 /nfs/dbraw/zinc/57/17/90/850571790.db2.gz QGAIUZLJQOEYPH-JTQLQIEISA-N -1 0 362.433 -0.654 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cn1 ZINC001335056470 850571994 /nfs/dbraw/zinc/57/19/94/850571994.db2.gz QGAIUZLJQOEYPH-SNVBAGLBSA-N -1 0 362.433 -0.654 20 0 FBADRM CN1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001335061389 850574146 /nfs/dbraw/zinc/57/41/46/850574146.db2.gz VDFYUYAGNMUMOO-NOZJJQNGSA-N -1 0 350.341 -0.524 20 0 FBADRM CN1CC[C@@H]1CNC(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001335061390 850574228 /nfs/dbraw/zinc/57/42/28/850574228.db2.gz VDFYUYAGNMUMOO-RNCFNFMXSA-N -1 0 350.341 -0.524 20 0 FBADRM CN1CC[C@H]1CNC(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001335061391 850573851 /nfs/dbraw/zinc/57/38/51/850573851.db2.gz VDFYUYAGNMUMOO-TVQRCGJNSA-N -1 0 350.341 -0.524 20 0 FBADRM CN1CC[C@H]1CNC(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001335061392 850574068 /nfs/dbraw/zinc/57/40/68/850574068.db2.gz VDFYUYAGNMUMOO-ZANVPECISA-N -1 0 350.341 -0.524 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)N2CC[C@@H](O)[C@H](F)C2)C1 ZINC001335106300 850583427 /nfs/dbraw/zinc/58/34/27/850583427.db2.gz JNMYQJQMGAXSNK-KKFJDGPESA-N -1 0 369.315 -0.413 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)N2CC[C@H](O)[C@@H](F)C2)C1 ZINC001335106301 850583541 /nfs/dbraw/zinc/58/35/41/850583541.db2.gz JNMYQJQMGAXSNK-RVBZMBCESA-N -1 0 369.315 -0.413 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)N2CC[C@@H](O)[C@@H](F)C2)C1 ZINC001335106302 850583751 /nfs/dbraw/zinc/58/37/51/850583751.db2.gz JNMYQJQMGAXSNK-RWEMILLDSA-N -1 0 369.315 -0.413 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)N2CC[C@H](O)[C@H](F)C2)C1 ZINC001335106303 850583514 /nfs/dbraw/zinc/58/35/14/850583514.db2.gz JNMYQJQMGAXSNK-ZDMBXUJBSA-N -1 0 369.315 -0.413 20 0 FBADRM CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cn1 ZINC001335112913 850584783 /nfs/dbraw/zinc/58/47/83/850584783.db2.gz OVDVMOZDEGOIFD-GXSJLCMTSA-N -1 0 351.363 -0.863 20 0 FBADRM CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cn1 ZINC001335112914 850584585 /nfs/dbraw/zinc/58/45/85/850584585.db2.gz OVDVMOZDEGOIFD-KOLCDFICSA-N -1 0 351.363 -0.863 20 0 FBADRM CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cn1 ZINC001335113373 850584737 /nfs/dbraw/zinc/58/47/37/850584737.db2.gz OVDVMOZDEGOIFD-MWLCHTKSSA-N -1 0 351.363 -0.863 20 0 FBADRM CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cn1 ZINC001335113374 850584571 /nfs/dbraw/zinc/58/45/71/850584571.db2.gz OVDVMOZDEGOIFD-ONGXEEELSA-N -1 0 351.363 -0.863 20 0 FBADRM O=C([O-])c1ncccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001335115797 850584912 /nfs/dbraw/zinc/58/49/12/850584912.db2.gz YTGUPIZMUSVDSK-ZJUUUORDSA-N -1 0 367.383 -0.104 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N(C)C1CCN(CC(F)(F)F)CC1 ZINC001335143548 850589957 /nfs/dbraw/zinc/58/99/57/850589957.db2.gz IQDATHSZRHBODO-UHFFFAOYSA-N -1 0 354.329 -0.735 20 0 FBADRM COCc1ccccc1S(=O)(=O)[N-]C(=O)CN1CC(=O)N(C)C1=O ZINC001335167810 850593593 /nfs/dbraw/zinc/59/35/93/850593593.db2.gz BDORUCQPEJTDIH-UHFFFAOYSA-N -1 0 355.372 -0.468 20 0 FBADRM CCN(C1CCCCC1)S(=O)(=O)[N-]C(=O)CN1CC(=O)N(C)C1=O ZINC001335168810 850594643 /nfs/dbraw/zinc/59/46/43/850594643.db2.gz HLUHVHDRSPDIRE-UHFFFAOYSA-N -1 0 360.436 -0.104 20 0 FBADRM CCOc1ccccc1S(=O)(=O)[N-]C(=O)CN1CC(=O)N(C)C1=O ZINC001335169461 850594504 /nfs/dbraw/zinc/59/45/04/850594504.db2.gz JMHUJUZUCKAEOQ-UHFFFAOYSA-N -1 0 355.372 -0.216 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)oc1C)OC ZINC001335169621 850594451 /nfs/dbraw/zinc/59/44/51/850594451.db2.gz KMUIQSPJOXSQDH-SECBINFHSA-N -1 0 369.417 -0.287 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)oc1C)OC ZINC001335169622 850594860 /nfs/dbraw/zinc/59/48/60/850594860.db2.gz KMUIQSPJOXSQDH-VIFPVBQESA-N -1 0 369.417 -0.287 20 0 FBADRM CC1(c2ncc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)s2)OCCO1 ZINC001335169623 850594761 /nfs/dbraw/zinc/59/47/61/850594761.db2.gz KNFKGBJQHZQHED-UHFFFAOYSA-N -1 0 363.417 -0.442 20 0 FBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCc1n[n-]c(=S)o1 ZINC001335170366 850594662 /nfs/dbraw/zinc/59/46/62/850594662.db2.gz NHYLCNYPNICSKA-UHFFFAOYSA-N -1 0 357.436 -0.174 20 0 FBADRM CCN(c1ccccc1)S(=O)(=O)[N-]C(=O)CN1CC(=O)N(C)C1=O ZINC001335170545 850594639 /nfs/dbraw/zinc/59/46/39/850594639.db2.gz AREWGXUSEMGYPJ-UHFFFAOYSA-N -1 0 354.388 -0.232 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)oc1C ZINC001335171745 850594720 /nfs/dbraw/zinc/59/47/20/850594720.db2.gz FYTCXKDHSGBJPU-SSDOTTSWSA-N -1 0 353.374 -0.387 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)oc1C ZINC001335171747 850594750 /nfs/dbraw/zinc/59/47/50/850594750.db2.gz FYTCXKDHSGBJPU-ZETCQYMHSA-N -1 0 353.374 -0.387 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001335171921 850594841 /nfs/dbraw/zinc/59/48/41/850594841.db2.gz PRMMMVCNNLHIPV-LLVKDONJSA-N -1 0 362.408 -0.963 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001335171925 850594852 /nfs/dbraw/zinc/59/48/52/850594852.db2.gz PRMMMVCNNLHIPV-NSHDSACASA-N -1 0 362.408 -0.963 20 0 FBADRM CS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C2CCOCC2)C1 ZINC001335174291 850594707 /nfs/dbraw/zinc/59/47/07/850594707.db2.gz XZQYYIADXYJHJZ-JTQLQIEISA-N -1 0 354.450 -0.717 20 0 FBADRM Cn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]3CCCO3)CC2=O)cn1 ZINC001335175499 850594494 /nfs/dbraw/zinc/59/44/94/850594494.db2.gz RORPTONSKKZONF-CMPLNLGQSA-N -1 0 356.404 -0.602 20 0 FBADRM Cn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]3CCCO3)CC2=O)cn1 ZINC001335175501 850595754 /nfs/dbraw/zinc/59/57/54/850595754.db2.gz RORPTONSKKZONF-JQWIXIFHSA-N -1 0 356.404 -0.602 20 0 FBADRM Cn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]3CCCO3)CC2=O)cn1 ZINC001335175504 850595587 /nfs/dbraw/zinc/59/55/87/850595587.db2.gz RORPTONSKKZONF-PWSUYJOCSA-N -1 0 356.404 -0.602 20 0 FBADRM Cn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)C[C@H]3CCCO3)CC2=O)cn1 ZINC001335175507 850595550 /nfs/dbraw/zinc/59/55/50/850595550.db2.gz RORPTONSKKZONF-ZYHUDNBSSA-N -1 0 356.404 -0.602 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001335176197 850595763 /nfs/dbraw/zinc/59/57/63/850595763.db2.gz UZOOSJOORFCLHG-DLVJRCHESA-N -1 0 355.372 -0.746 20 0 FBADRM COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001335187690 850597736 /nfs/dbraw/zinc/59/77/36/850597736.db2.gz OQIZXSVSFBFLQF-UONOGXRCSA-N -1 0 355.435 -0.360 20 0 FBADRM Cn1[nH]c([C@@H]2CCCN2C(=O)c2ccc([N-]S(C)(=O)=O)nc2)nc1=N ZINC001335197817 850600028 /nfs/dbraw/zinc/60/00/28/850600028.db2.gz BQDCJUCIQMSRHW-JTQLQIEISA-N -1 0 365.419 -0.029 20 0 FBADRM Cn1[nH]c([C@H]2CCCN2C(=O)c2ccc([N-]S(C)(=O)=O)nc2)nc1=N ZINC001335197818 850599592 /nfs/dbraw/zinc/59/95/92/850599592.db2.gz BQDCJUCIQMSRHW-SNVBAGLBSA-N -1 0 365.419 -0.029 20 0 FBADRM C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001335222408 850604228 /nfs/dbraw/zinc/60/42/28/850604228.db2.gz MGGVIPPYDBTPDX-FPMFFAJLSA-N -1 0 353.419 -0.608 20 0 FBADRM C[C@H](CN1CCOCC1)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001335222410 850604139 /nfs/dbraw/zinc/60/41/39/850604139.db2.gz MGGVIPPYDBTPDX-KWCYVHTRSA-N -1 0 353.419 -0.608 20 0 FBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001335244323 850608096 /nfs/dbraw/zinc/60/80/96/850608096.db2.gz ALSUBPYYDHIJMT-CMPLNLGQSA-N -1 0 355.434 -0.684 20 0 FBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001335244325 850608450 /nfs/dbraw/zinc/60/84/50/850608450.db2.gz ALSUBPYYDHIJMT-JQWIXIFHSA-N -1 0 355.434 -0.684 20 0 FBADRM CO[C@@]1(C(=O)[O-])CCN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001335244327 850609120 /nfs/dbraw/zinc/60/91/20/850609120.db2.gz ALSUBPYYDHIJMT-PWSUYJOCSA-N -1 0 355.434 -0.684 20 0 FBADRM CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001335244329 850609223 /nfs/dbraw/zinc/60/92/23/850609223.db2.gz ALSUBPYYDHIJMT-ZYHUDNBSSA-N -1 0 355.434 -0.684 20 0 FBADRM CN(CCNS(C)(=O)=O)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC001335247033 850609572 /nfs/dbraw/zinc/60/95/72/850609572.db2.gz VHHSQUBYUQNYNJ-UHFFFAOYSA-N -1 0 350.418 -0.517 20 0 FBADRM O=C([O-])CN1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1 ZINC001335282783 850615109 /nfs/dbraw/zinc/61/51/09/850615109.db2.gz DSLQKYWVPQDAAT-UHFFFAOYSA-N -1 0 356.326 -0.164 20 0 FBADRM CN(C)CCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC001335283567 850615159 /nfs/dbraw/zinc/61/51/59/850615159.db2.gz PWUKCIXLYJJUDH-UHFFFAOYSA-N -1 0 371.459 -0.046 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC3(CNC(=O)O3)CC2)c1 ZINC001335313070 850619497 /nfs/dbraw/zinc/61/94/97/850619497.db2.gz DAQZIGAKFRBUEP-UHFFFAOYSA-N -1 0 355.372 -0.246 20 0 FBADRM CN(C)C(=O)CCn1nnnc1N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001335333337 850622313 /nfs/dbraw/zinc/62/23/13/850622313.db2.gz AHDVEBJQTWRRGC-GFCCVEGCSA-N -1 0 363.344 -0.201 20 0 FBADRM CN(C)C(=O)CCn1nnnc1N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001335333340 850622372 /nfs/dbraw/zinc/62/23/72/850622372.db2.gz AHDVEBJQTWRRGC-LBPRGKRZSA-N -1 0 363.344 -0.201 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC(NS(N)(=O)=O)CC1 ZINC001335354133 850625542 /nfs/dbraw/zinc/62/55/42/850625542.db2.gz PQUZHOKFKJEQOM-UHFFFAOYSA-N -1 0 360.358 -0.772 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CO1 ZINC001335362954 850626650 /nfs/dbraw/zinc/62/66/50/850626650.db2.gz AMZYBUFYDZTMID-DOMZBBRYSA-N -1 0 362.448 -0.255 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CO1 ZINC001335362961 850626675 /nfs/dbraw/zinc/62/66/75/850626675.db2.gz AMZYBUFYDZTMID-IUODEOHRSA-N -1 0 362.448 -0.255 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CO1 ZINC001335362964 850626540 /nfs/dbraw/zinc/62/65/40/850626540.db2.gz AMZYBUFYDZTMID-SWLSCSKDSA-N -1 0 362.448 -0.255 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CO1 ZINC001335362966 850626780 /nfs/dbraw/zinc/62/67/80/850626780.db2.gz AMZYBUFYDZTMID-WFASDCNBSA-N -1 0 362.448 -0.255 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001335363266 850626521 /nfs/dbraw/zinc/62/65/21/850626521.db2.gz FJAFSFZWHHNHIX-HNNXBMFYSA-N -1 0 372.447 -0.413 20 0 FBADRM Cc1nn(C)c(C)c1S(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001335363270 850626426 /nfs/dbraw/zinc/62/64/26/850626426.db2.gz FJAFSFZWHHNHIX-OAHLLOKOSA-N -1 0 372.447 -0.413 20 0 FBADRM Cn1nncc1S(=O)(=O)[N-]c1ncc2c(n1)CCC1(C2)OCCO1 ZINC001335363373 850626440 /nfs/dbraw/zinc/62/64/40/850626440.db2.gz FTNOMPPAQRQCDF-UHFFFAOYSA-N -1 0 352.376 -0.362 20 0 FBADRM Cc1c(S(=O)(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cnn1C ZINC001335364206 850626764 /nfs/dbraw/zinc/62/67/64/850626764.db2.gz NMLQTCQMKSQGER-AWEZNQCLSA-N -1 0 358.420 -0.721 20 0 FBADRM Cc1c(S(=O)(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)cnn1C ZINC001335364207 850626654 /nfs/dbraw/zinc/62/66/54/850626654.db2.gz NMLQTCQMKSQGER-CQSZACIVSA-N -1 0 358.420 -0.721 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001335364220 850626483 /nfs/dbraw/zinc/62/64/83/850626483.db2.gz NSNCQCJLXIAOAT-AWEZNQCLSA-N -1 0 358.420 -0.721 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001335364221 850626462 /nfs/dbraw/zinc/62/64/62/850626462.db2.gz NSNCQCJLXIAOAT-CQSZACIVSA-N -1 0 358.420 -0.721 20 0 FBADRM CN(CC1(C)COC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC001335380476 850628707 /nfs/dbraw/zinc/62/87/07/850628707.db2.gz GBBCQQMSHUODSK-UHFFFAOYSA-N -1 0 367.453 -0.765 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC3(CNC(=O)C3)CC2)CC[C@@H]1C(=O)[O-] ZINC001335380984 850628383 /nfs/dbraw/zinc/62/83/83/850628383.db2.gz VPSQVWBGAPTMNE-NEPJUHHUSA-N -1 0 351.403 -0.316 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCC3(CNC(=O)C3)CC2)CC[C@H]1C(=O)[O-] ZINC001335380985 850628420 /nfs/dbraw/zinc/62/84/20/850628420.db2.gz VPSQVWBGAPTMNE-NWDGAFQWSA-N -1 0 351.403 -0.316 20 0 FBADRM C[C@H]1CN(C(=O)C(=O)N2CCC3(CNC(=O)C3)CC2)CC[C@@H]1C(=O)[O-] ZINC001335380986 850628506 /nfs/dbraw/zinc/62/85/06/850628506.db2.gz VPSQVWBGAPTMNE-RYUDHWBXSA-N -1 0 351.403 -0.316 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC3(CNC(=O)C3)CC2)CC[C@H]1C(=O)[O-] ZINC001335380988 850628618 /nfs/dbraw/zinc/62/86/18/850628618.db2.gz VPSQVWBGAPTMNE-VXGBXAGGSA-N -1 0 351.403 -0.316 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cn1 ZINC001335395468 850630667 /nfs/dbraw/zinc/63/06/67/850630667.db2.gz NMHUCOPPLVDMBB-LLVKDONJSA-N -1 0 354.392 -0.412 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)cn1 ZINC001335395469 850630625 /nfs/dbraw/zinc/63/06/25/850630625.db2.gz NMHUCOPPLVDMBB-NSHDSACASA-N -1 0 354.392 -0.412 20 0 FBADRM Cn1nc2c(cc1=O)CN(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)CC2 ZINC001335409835 850631971 /nfs/dbraw/zinc/63/19/71/850631971.db2.gz YQNPXKAMOZTLHA-UHFFFAOYSA-N -1 0 363.399 -0.255 20 0 FBADRM CNS(=O)(=O)c1ccccc1N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001335421562 850633120 /nfs/dbraw/zinc/63/31/20/850633120.db2.gz LYWUYWOUKCYEEJ-INIZCTEOSA-N -1 0 369.443 -0.040 20 0 FBADRM CNS(=O)(=O)c1ccccc1N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001335421566 850633115 /nfs/dbraw/zinc/63/31/15/850633115.db2.gz LYWUYWOUKCYEEJ-MRXNPFEDSA-N -1 0 369.443 -0.040 20 0 FBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001335428942 850633017 /nfs/dbraw/zinc/63/30/17/850633017.db2.gz JXWJIGLYKMYHMK-GRDNDAEWSA-N -1 0 356.419 -0.042 20 0 FBADRM C[C@H](OC[C@H]1CCCO1)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001335428944 850632653 /nfs/dbraw/zinc/63/26/53/850632653.db2.gz JXWJIGLYKMYHMK-JJRVBVJISA-N -1 0 356.419 -0.042 20 0 FBADRM C[C@H](OC[C@H]1CCCO1)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001335428945 850633125 /nfs/dbraw/zinc/63/31/25/850633125.db2.gz JXWJIGLYKMYHMK-VBQJREDUSA-N -1 0 356.419 -0.042 20 0 FBADRM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001335428946 850633109 /nfs/dbraw/zinc/63/31/09/850633109.db2.gz JXWJIGLYKMYHMK-ZQIUZPCESA-N -1 0 356.419 -0.042 20 0 FBADRM COCCn1nc(C(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])ccc1=O ZINC001335430317 850632710 /nfs/dbraw/zinc/63/27/10/850632710.db2.gz FNWUEQVWSKAJDO-AAEUAGOBSA-N -1 0 353.375 -0.111 20 0 FBADRM COCCn1nc(C(=O)N[C@H](C[C@H]2CCCOC2)C(=O)[O-])ccc1=O ZINC001335430318 850632940 /nfs/dbraw/zinc/63/29/40/850632940.db2.gz FNWUEQVWSKAJDO-DGCLKSJQSA-N -1 0 353.375 -0.111 20 0 FBADRM COCCn1nc(C(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)[O-])ccc1=O ZINC001335430319 850633048 /nfs/dbraw/zinc/63/30/48/850633048.db2.gz FNWUEQVWSKAJDO-WCQYABFASA-N -1 0 353.375 -0.111 20 0 FBADRM COCCn1nc(C(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)[O-])ccc1=O ZINC001335430320 850632949 /nfs/dbraw/zinc/63/29/49/850632949.db2.gz FNWUEQVWSKAJDO-YPMHNXCESA-N -1 0 353.375 -0.111 20 0 FBADRM O=C([O-])[C@]1(N2CCN(C(=O)C3CCS(=O)(=O)CC3)CC2)CCOC1 ZINC001335430347 850632809 /nfs/dbraw/zinc/63/28/09/850632809.db2.gz QQVUDHVWVJDELZ-HNNXBMFYSA-N -1 0 360.432 -0.801 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(C(=O)C3CCS(=O)(=O)CC3)CC2)CCOC1 ZINC001335430349 850632781 /nfs/dbraw/zinc/63/27/81/850632781.db2.gz QQVUDHVWVJDELZ-OAHLLOKOSA-N -1 0 360.432 -0.801 20 0 FBADRM CC(C)CCC(=O)NCC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001335430353 850632829 /nfs/dbraw/zinc/63/28/29/850632829.db2.gz QSYVRLRUCTVDLN-KRWDZBQOSA-N -1 0 355.435 -0.073 20 0 FBADRM CC(C)CCC(=O)NCC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001335430354 850632820 /nfs/dbraw/zinc/63/28/20/850632820.db2.gz QSYVRLRUCTVDLN-QGZVFWFLSA-N -1 0 355.435 -0.073 20 0 FBADRM NC(=O)c1ccc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)s1 ZINC001335430460 850633060 /nfs/dbraw/zinc/63/30/60/850633060.db2.gz SJGPMTKFGJCRED-HNNXBMFYSA-N -1 0 353.400 -0.152 20 0 FBADRM NC(=O)c1ccc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)s1 ZINC001335430461 850632769 /nfs/dbraw/zinc/63/27/69/850632769.db2.gz SJGPMTKFGJCRED-OAHLLOKOSA-N -1 0 353.400 -0.152 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NCc1cc(F)ccc1Br ZINC001335497176 850638500 /nfs/dbraw/zinc/63/85/00/850638500.db2.gz XDEXSMPXWCCEDJ-UHFFFAOYSA-N -1 0 362.155 -0.002 20 0 FBADRM CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001335548446 850645142 /nfs/dbraw/zinc/64/51/42/850645142.db2.gz QWCROENITZRYPR-CYBMUJFWSA-N -1 0 352.357 -0.324 20 0 FBADRM CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001335548447 850644763 /nfs/dbraw/zinc/64/47/63/850644763.db2.gz QWCROENITZRYPR-ZDUSSCGKSA-N -1 0 352.357 -0.324 20 0 FBADRM COC(=O)c1sccc1S(=O)(=O)N1Cc2nncn2C[C@@H]1C(=O)[O-] ZINC001335581736 850650528 /nfs/dbraw/zinc/65/05/28/850650528.db2.gz RWLVLPLNZWHRRF-SSDOTTSWSA-N -1 0 372.384 -0.216 20 0 FBADRM COC(=O)c1sccc1S(=O)(=O)N1Cc2nncn2C[C@H]1C(=O)[O-] ZINC001335581737 850650425 /nfs/dbraw/zinc/65/04/25/850650425.db2.gz RWLVLPLNZWHRRF-ZETCQYMHSA-N -1 0 372.384 -0.216 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](CCSC)C(N)=O ZINC001335591044 850651584 /nfs/dbraw/zinc/65/15/84/850651584.db2.gz QMOHMSPKQORGDB-LURJTMIESA-N -1 0 353.447 -0.185 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)c1nn(C)cc1I ZINC001335756797 850675313 /nfs/dbraw/zinc/67/53/13/850675313.db2.gz SNAVYSOIPKFCTA-UHFFFAOYSA-N -1 0 358.161 -0.439 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)co1 ZINC001335769054 850676232 /nfs/dbraw/zinc/67/62/32/850676232.db2.gz VTXDEIIRYLTVHS-SECBINFHSA-N -1 0 356.364 -0.743 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)co1 ZINC001335769055 850676658 /nfs/dbraw/zinc/67/66/58/850676658.db2.gz VTXDEIIRYLTVHS-VIFPVBQESA-N -1 0 356.364 -0.743 20 0 FBADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)C2CCOCC2)co1 ZINC001335804411 850679584 /nfs/dbraw/zinc/67/95/84/850679584.db2.gz RAVCUHALTUQJAA-UHFFFAOYSA-N -1 0 366.417 -0.232 20 0 FBADRM Cc1nc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@H](c3cncn3C)C2)cn1C ZINC001335816425 850680197 /nfs/dbraw/zinc/68/01/97/850680197.db2.gz CMVMTKVCNVNRJI-QWRGUYRKSA-N -1 0 353.404 -0.049 20 0 FBADRM CC1(C)CN(S(=O)(=O)N[C@@H](Cn2cc(Cl)cn2)C(=O)[O-])CCO1 ZINC001335816428 850680622 /nfs/dbraw/zinc/68/06/22/850680622.db2.gz CNCUBRQHWDXCKP-JTQLQIEISA-N -1 0 366.827 -0.065 20 0 FBADRM CC1(C)CN(S(=O)(=O)N[C@H](Cn2cc(Cl)cn2)C(=O)[O-])CCO1 ZINC001335816431 850680420 /nfs/dbraw/zinc/68/04/20/850680420.db2.gz CNCUBRQHWDXCKP-SNVBAGLBSA-N -1 0 366.827 -0.065 20 0 FBADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC001335816861 850680430 /nfs/dbraw/zinc/68/04/30/850680430.db2.gz FIHWFSAPZMHMFH-SKDRFNHKSA-N -1 0 357.388 -0.541 20 0 FBADRM COc1cccc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])c1F ZINC001335817090 850680288 /nfs/dbraw/zinc/68/02/88/850680288.db2.gz GYESPGSMGDNUDP-JTQLQIEISA-N -1 0 362.379 -0.102 20 0 FBADRM COc1cccc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])c1F ZINC001335817093 850680504 /nfs/dbraw/zinc/68/05/04/850680504.db2.gz GYESPGSMGDNUDP-SNVBAGLBSA-N -1 0 362.379 -0.102 20 0 FBADRM Cn1cc(C[C@@H](NS(=O)(=O)N2CCC3(CC2)OCCO3)C(=O)[O-])cn1 ZINC001335817437 850680348 /nfs/dbraw/zinc/68/03/48/850680348.db2.gz HXCYHOYDIIRJED-GFCCVEGCSA-N -1 0 374.419 -0.911 20 0 FBADRM Cn1cc(C[C@H](NS(=O)(=O)N2CCC3(CC2)OCCO3)C(=O)[O-])cn1 ZINC001335817438 850680470 /nfs/dbraw/zinc/68/04/70/850680470.db2.gz HXCYHOYDIIRJED-LBPRGKRZSA-N -1 0 374.419 -0.911 20 0 FBADRM O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)c1cccc2c1OCC2 ZINC001335817463 850680374 /nfs/dbraw/zinc/68/03/74/850680374.db2.gz IXIHFSFWEKCGGN-GFCCVEGCSA-N -1 0 356.400 -0.315 20 0 FBADRM O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)c1cccc2c1OCC2 ZINC001335817464 850680648 /nfs/dbraw/zinc/68/06/48/850680648.db2.gz IXIHFSFWEKCGGN-LBPRGKRZSA-N -1 0 356.400 -0.315 20 0 FBADRM CCOC(=O)CCS(=O)(=O)N[C@H](Cn1cc(Cl)cn1)C(=O)[O-] ZINC001335817688 850680701 /nfs/dbraw/zinc/68/07/01/850680701.db2.gz KKFZCGVOAVHOAQ-SECBINFHSA-N -1 0 353.784 -0.138 20 0 FBADRM CCOC(=O)CCS(=O)(=O)N[C@@H](Cn1cc(Cl)cn1)C(=O)[O-] ZINC001335817695 850680304 /nfs/dbraw/zinc/68/03/04/850680304.db2.gz KKFZCGVOAVHOAQ-VIFPVBQESA-N -1 0 353.784 -0.138 20 0 FBADRM CCOC1(CS(=O)(=O)N[C@H](Cc2ncccn2)C(=O)[O-])CCOCC1 ZINC001335818230 850680179 /nfs/dbraw/zinc/68/01/79/850680179.db2.gz NUBTZDQDCRSMIT-GFCCVEGCSA-N -1 0 373.431 -0.023 20 0 FBADRM CCOC1(CS(=O)(=O)N[C@@H](Cc2ncccn2)C(=O)[O-])CCOCC1 ZINC001335818231 850680671 /nfs/dbraw/zinc/68/06/71/850680671.db2.gz NUBTZDQDCRSMIT-LBPRGKRZSA-N -1 0 373.431 -0.023 20 0 FBADRM O=C([O-])[C@@H](Cc1ncccn1)NS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC001335819187 850682151 /nfs/dbraw/zinc/68/21/51/850682151.db2.gz XJNSTBQWPSQJEF-LLVKDONJSA-N -1 0 372.403 -0.854 20 0 FBADRM O=C([O-])[C@H](Cc1ncccn1)NS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC001335819188 850681649 /nfs/dbraw/zinc/68/16/49/850681649.db2.gz XJNSTBQWPSQJEF-NSHDSACASA-N -1 0 372.403 -0.854 20 0 FBADRM O=C([O-])C1(CC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCC1 ZINC001335850254 850684078 /nfs/dbraw/zinc/68/40/78/850684078.db2.gz FTSKGHQKXQLBKS-UHFFFAOYSA-N -1 0 353.419 -0.366 20 0 FBADRM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)[N-]S(=O)(=O)N(C)C)C2=O ZINC001335867167 850685010 /nfs/dbraw/zinc/68/50/10/850685010.db2.gz PPYIJQWERDEFCF-NXEZZACHSA-N -1 0 360.436 -0.344 20 0 FBADRM C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)[N-]S(=O)(=O)N(C)C)C2=O ZINC001335867170 850685239 /nfs/dbraw/zinc/68/52/39/850685239.db2.gz PPYIJQWERDEFCF-UWVGGRQHSA-N -1 0 360.436 -0.344 20 0 FBADRM C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)[N-]S(=O)(=O)N(C)C)C2=O ZINC001335867172 850685469 /nfs/dbraw/zinc/68/54/69/850685469.db2.gz PPYIJQWERDEFCF-WDAIWFPHSA-N -1 0 360.436 -0.344 20 0 FBADRM CN(C)c1ncc(Br)c(C(=O)[N-]N2CC(=O)N(C)C2=O)n1 ZINC001335878715 850686632 /nfs/dbraw/zinc/68/66/32/850686632.db2.gz HSNKDGJQMBZNKD-UHFFFAOYSA-N -1 0 357.168 -0.156 20 0 FBADRM CC[C@@](C)(CC(=O)[O-])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001335891682 850688700 /nfs/dbraw/zinc/68/87/00/850688700.db2.gz TUBWODMLYIMZJX-KRWDZBQOSA-N -1 0 355.435 -0.120 20 0 FBADRM CC[C@](C)(CC(=O)[O-])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001335891683 850688495 /nfs/dbraw/zinc/68/84/95/850688495.db2.gz TUBWODMLYIMZJX-QGZVFWFLSA-N -1 0 355.435 -0.120 20 0 FBADRM Cc1c(CCC(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cnn1C ZINC001335932262 850692749 /nfs/dbraw/zinc/69/27/49/850692749.db2.gz JXKPXYZLSHULDA-UHFFFAOYSA-N -1 0 353.404 -0.396 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC001335945235 850693681 /nfs/dbraw/zinc/69/36/81/850693681.db2.gz DKODCIMCUZCWCA-LLVKDONJSA-N -1 0 352.366 -0.296 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCCN(c2ccccc2F)C1 ZINC001335945237 850693974 /nfs/dbraw/zinc/69/39/74/850693974.db2.gz DKODCIMCUZCWCA-NSHDSACASA-N -1 0 352.366 -0.296 20 0 FBADRM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001335972325 850696738 /nfs/dbraw/zinc/69/67/38/850696738.db2.gz BPJHPAHRGAMVMS-UHFFFAOYSA-N -1 0 364.445 -0.273 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC001335980660 850698332 /nfs/dbraw/zinc/69/83/32/850698332.db2.gz FQXLXYUCGRPIPR-SECBINFHSA-N -1 0 372.784 -0.032 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC001335980661 850698246 /nfs/dbraw/zinc/69/82/46/850698246.db2.gz FQXLXYUCGRPIPR-VIFPVBQESA-N -1 0 372.784 -0.032 20 0 FBADRM CN(CCNS(C)(=O)=O)S(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001336039886 850702272 /nfs/dbraw/zinc/70/22/72/850702272.db2.gz UKHIEQRRLIFOHY-UHFFFAOYSA-N -1 0 350.418 -0.304 20 0 FBADRM CN1CC[C@@H](n2nnnc2N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)C1=O ZINC001336050078 850703124 /nfs/dbraw/zinc/70/31/24/850703124.db2.gz ZRKNEVLFMVBERJ-PELKAZGASA-N -1 0 361.328 -0.276 20 0 FBADRM CN1CC[C@@H](n2nnnc2N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)C1=O ZINC001336050079 850703307 /nfs/dbraw/zinc/70/33/07/850703307.db2.gz ZRKNEVLFMVBERJ-PRHODGIISA-N -1 0 361.328 -0.276 20 0 FBADRM CN1CC[C@H](n2nnnc2N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)C1=O ZINC001336050080 850703331 /nfs/dbraw/zinc/70/33/31/850703331.db2.gz ZRKNEVLFMVBERJ-QPUJVOFHSA-N -1 0 361.328 -0.276 20 0 FBADRM CN1CC[C@H](n2nnnc2N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)C1=O ZINC001336050081 850703398 /nfs/dbraw/zinc/70/33/98/850703398.db2.gz ZRKNEVLFMVBERJ-UFBFGSQYSA-N -1 0 361.328 -0.276 20 0 FBADRM NS(=O)(=O)C1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CC1 ZINC001336051736 850703208 /nfs/dbraw/zinc/70/32/08/850703208.db2.gz TXVOMIGSNLBMGI-UHFFFAOYSA-N -1 0 358.445 -0.239 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC001336133859 850709374 /nfs/dbraw/zinc/70/93/74/850709374.db2.gz VTCSNLNRYQAGTR-JTQLQIEISA-N -1 0 372.784 -0.032 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC001336133860 850709479 /nfs/dbraw/zinc/70/94/79/850709479.db2.gz VTCSNLNRYQAGTR-SNVBAGLBSA-N -1 0 372.784 -0.032 20 0 FBADRM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)c1nnnn1C ZINC001336190961 850717318 /nfs/dbraw/zinc/71/73/18/850717318.db2.gz RLTAWAJBMSHCTE-SSDOTTSWSA-N -1 0 360.346 -0.356 20 0 FBADRM C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)c1nnnn1C ZINC001336190963 850717738 /nfs/dbraw/zinc/71/77/38/850717738.db2.gz RLTAWAJBMSHCTE-ZETCQYMHSA-N -1 0 360.346 -0.356 20 0 FBADRM COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C ZINC001336206000 850718753 /nfs/dbraw/zinc/71/87/53/850718753.db2.gz YOUDMJXUVBHFHI-QMMMGPOBSA-N -1 0 358.376 -0.667 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCN([C@H](C)c2ccsc2)CC1 ZINC001336301358 850729073 /nfs/dbraw/zinc/72/90/73/850729073.db2.gz OQLCATXPRYOYOD-LLVKDONJSA-N -1 0 354.432 -0.253 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001336301359 850728903 /nfs/dbraw/zinc/72/89/03/850728903.db2.gz OQLCATXPRYOYOD-NSHDSACASA-N -1 0 354.432 -0.253 20 0 FBADRM CN(CCNS(C)(=O)=O)S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001336328529 850731582 /nfs/dbraw/zinc/73/15/82/850731582.db2.gz PJQXVMLZLVHWHK-UHFFFAOYSA-N -1 0 354.381 -0.306 20 0 FBADRM O=C([O-])c1cnc(CNS(=O)(=O)c2cnn([C@H]3CCOC3)c2)nc1 ZINC001336330657 850733935 /nfs/dbraw/zinc/73/39/35/850733935.db2.gz XAFYRZCONXGLFW-JTQLQIEISA-N -1 0 353.360 -0.189 20 0 FBADRM O=C([O-])c1cnc(CNS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)nc1 ZINC001336330658 850733576 /nfs/dbraw/zinc/73/35/76/850733576.db2.gz XAFYRZCONXGLFW-SNVBAGLBSA-N -1 0 353.360 -0.189 20 0 FBADRM O=C([O-])COc1ccc(S(=O)(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC001336351070 850735766 /nfs/dbraw/zinc/73/57/66/850735766.db2.gz BBFFTJJFXNWZSD-GFCCVEGCSA-N -1 0 356.400 -0.145 20 0 FBADRM O=C([O-])[C@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CCO1 ZINC001336355847 850735824 /nfs/dbraw/zinc/73/58/24/850735824.db2.gz XEBAUYOMSYBPOG-GFCCVEGCSA-N -1 0 357.388 -0.608 20 0 FBADRM O=C([O-])[C@@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CCO1 ZINC001336355848 850735582 /nfs/dbraw/zinc/73/55/82/850735582.db2.gz XEBAUYOMSYBPOG-LBPRGKRZSA-N -1 0 357.388 -0.608 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001336552628 850763349 /nfs/dbraw/zinc/76/33/49/850763349.db2.gz YMBVYQNDIBWMTA-SECBINFHSA-N -1 0 365.352 -0.067 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001336552630 850763157 /nfs/dbraw/zinc/76/31/57/850763157.db2.gz YMBVYQNDIBWMTA-VIFPVBQESA-N -1 0 365.352 -0.067 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cnn(CC(=O)N(C)C)c1 ZINC001336670653 850777674 /nfs/dbraw/zinc/77/76/74/850777674.db2.gz ZADPIYPUXXCHHK-UHFFFAOYSA-N -1 0 356.364 -0.718 20 0 FBADRM C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])c1nnnn1C ZINC001336717879 850780494 /nfs/dbraw/zinc/78/04/94/850780494.db2.gz XCHAKSYZFFUTGX-MRVPVSSYSA-N -1 0 354.392 -0.343 20 0 FBADRM C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])c1nnnn1C ZINC001336717881 850780578 /nfs/dbraw/zinc/78/05/78/850780578.db2.gz XCHAKSYZFFUTGX-QMMMGPOBSA-N -1 0 354.392 -0.343 20 0 FBADRM O=C([O-])[C@H]1Cn2cnnc2CN1S(=O)(=O)c1cn2c(n1)CCCC2 ZINC001336889502 850787604 /nfs/dbraw/zinc/78/76/04/850787604.db2.gz UPYFFEPKPOHEAX-SECBINFHSA-N -1 0 352.376 -0.531 20 0 FBADRM O=C([O-])[C@@H]1Cn2cnnc2CN1S(=O)(=O)c1cn2c(n1)CCCC2 ZINC001336889503 850787561 /nfs/dbraw/zinc/78/75/61/850787561.db2.gz UPYFFEPKPOHEAX-VIFPVBQESA-N -1 0 352.376 -0.531 20 0 FBADRM COc1cccc(OC)c1S(=O)(=O)N1Cc2nncn2C[C@@H]1C(=O)[O-] ZINC001336889943 850788513 /nfs/dbraw/zinc/78/85/13/850788513.db2.gz YJABAMQEUNUVHQ-SECBINFHSA-N -1 0 368.371 -0.047 20 0 FBADRM COc1cccc(OC)c1S(=O)(=O)N1Cc2nncn2C[C@H]1C(=O)[O-] ZINC001336889944 850788587 /nfs/dbraw/zinc/78/85/87/850788587.db2.gz YJABAMQEUNUVHQ-VIFPVBQESA-N -1 0 368.371 -0.047 20 0 FBADRM Cn1ncc(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)c1C(F)(F)F ZINC001336919597 850789476 /nfs/dbraw/zinc/78/94/76/850789476.db2.gz OHHLNZQIKJGJTL-UHFFFAOYSA-N -1 0 356.326 -0.170 20 0 FBADRM Cn1cc(C=c2sc(=CC(=O)c3ccco3)nc2[O-])c(=O)n(C)c1=O ZINC001337209655 850802666 /nfs/dbraw/zinc/80/26/66/850802666.db2.gz UXTPQRNOWVISOR-UHFFFAOYSA-N -1 0 359.363 -0.669 20 0 FBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC001337275956 850805876 /nfs/dbraw/zinc/80/58/76/850805876.db2.gz TVXNGCJZLKHMFD-IHRRRGAJSA-N -1 0 353.419 -0.321 20 0 FBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC001337275958 850805924 /nfs/dbraw/zinc/80/59/24/850805924.db2.gz TVXNGCJZLKHMFD-MGPQQGTHSA-N -1 0 353.419 -0.321 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN(C(N)=O)C2)cc1 ZINC001337319964 850808001 /nfs/dbraw/zinc/80/80/01/850808001.db2.gz CHLVBOKKHQTREG-LLVKDONJSA-N -1 0 368.415 -0.358 20 0 FBADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN(C(N)=O)C2)cc1 ZINC001337319965 850808178 /nfs/dbraw/zinc/80/81/78/850808178.db2.gz CHLVBOKKHQTREG-NSHDSACASA-N -1 0 368.415 -0.358 20 0 FBADRM C[C@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001337348984 850809199 /nfs/dbraw/zinc/80/91/99/850809199.db2.gz LJBLKPXBIDAOIL-DBIOUOCHSA-N -1 0 353.379 -0.780 20 0 FBADRM C[C@@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001337348985 850809645 /nfs/dbraw/zinc/80/96/45/850809645.db2.gz LJBLKPXBIDAOIL-ZDCRXTMVSA-N -1 0 353.379 -0.780 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001337363285 850810289 /nfs/dbraw/zinc/81/02/89/850810289.db2.gz GDDPNHKTKHAYMT-AXFHLTTASA-N -1 0 355.395 -0.533 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001337363288 850810638 /nfs/dbraw/zinc/81/06/38/850810638.db2.gz GDDPNHKTKHAYMT-MXWKQRLJSA-N -1 0 355.395 -0.533 20 0 FBADRM COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC001337483632 850816883 /nfs/dbraw/zinc/81/68/83/850816883.db2.gz OWBGOBRFRSRSOY-SCZZXKLOSA-N -1 0 367.324 -0.468 20 0 FBADRM COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC001337483633 850817327 /nfs/dbraw/zinc/81/73/27/850817327.db2.gz OWBGOBRFRSRSOY-WPRPVWTQSA-N -1 0 367.324 -0.468 20 0 FBADRM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001337486741 850817342 /nfs/dbraw/zinc/81/73/42/850817342.db2.gz BIVAZOYMRYPLFH-JLIMGVALSA-N -1 0 351.363 -0.573 20 0 FBADRM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001337486743 850817254 /nfs/dbraw/zinc/81/72/54/850817254.db2.gz BIVAZOYMRYPLFH-KYXWUPHJSA-N -1 0 351.363 -0.573 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)CC1 ZINC001337515805 850819288 /nfs/dbraw/zinc/81/92/88/850819288.db2.gz ROFIYFLWSCAPHK-UHFFFAOYSA-N -1 0 364.449 -0.713 20 0 FBADRM CCc1cc(C(=O)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)nn1C ZINC001337531803 850819995 /nfs/dbraw/zinc/81/99/95/850819995.db2.gz SCERSLGTYUICMF-UHFFFAOYSA-N -1 0 358.405 -0.089 20 0 FBADRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O ZINC001337567218 850822378 /nfs/dbraw/zinc/82/23/78/850822378.db2.gz PZBSQDWWMDYADF-UHFFFAOYSA-N -1 0 361.401 -0.514 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CCO[C@H]2C2CC2)c1[O-] ZINC001337612919 850824921 /nfs/dbraw/zinc/82/49/21/850824921.db2.gz XVYMCZHPLHNOLO-GYSYKLTISA-N -1 0 352.391 -0.554 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CCO[C@H]2C2CC2)c1[O-] ZINC001337612920 850825084 /nfs/dbraw/zinc/82/50/84/850825084.db2.gz XVYMCZHPLHNOLO-WDMOLILDSA-N -1 0 352.391 -0.554 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC001337727738 850832857 /nfs/dbraw/zinc/83/28/57/850832857.db2.gz GJDLLJIEKAZZSG-UHFFFAOYSA-N -1 0 353.400 -0.530 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC001337739448 850833673 /nfs/dbraw/zinc/83/36/73/850833673.db2.gz CLSGYGIQUZNQHT-UHFFFAOYSA-N -1 0 351.406 -0.400 20 0 FBADRM COc1ccc(C(=O)[N-]S(=O)(=O)N(C)C)cc1S(=O)(=O)N(C)C ZINC001337740790 850833899 /nfs/dbraw/zinc/83/38/99/850833899.db2.gz SUNWCZJDAXOOHT-UHFFFAOYSA-N -1 0 365.433 -0.518 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCCC2)[N-]S(=O)(=O)N1CCCCC1 ZINC001337740834 850835220 /nfs/dbraw/zinc/83/52/20/850835220.db2.gz WDBKAJPEDQWKNS-UHFFFAOYSA-N -1 0 357.436 -0.382 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@]23CCC[C@H]2OCC3)c1[O-] ZINC001337753326 850836007 /nfs/dbraw/zinc/83/60/07/850836007.db2.gz VUFPNNTWQVGUMU-USBNGQNGSA-N -1 0 352.391 -0.410 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@]23CCC[C@H]2OCC3)c1[O-] ZINC001337753327 850836292 /nfs/dbraw/zinc/83/62/92/850836292.db2.gz VUFPNNTWQVGUMU-UVWXRNBGSA-N -1 0 352.391 -0.410 20 0 FBADRM O=C([O-])c1coc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 ZINC001337826464 850841457 /nfs/dbraw/zinc/84/14/57/850841457.db2.gz MITHORSBSIANDL-UHFFFAOYSA-N -1 0 351.359 -0.406 20 0 FBADRM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)NCCN1CCOCC1 ZINC001337871932 850845905 /nfs/dbraw/zinc/84/59/05/850845905.db2.gz RGRYSKILUXROPJ-UHFFFAOYSA-N -1 0 358.416 -0.067 20 0 FBADRM COCCOCCC(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC001337986484 850851841 /nfs/dbraw/zinc/85/18/41/850851841.db2.gz XYFKDLWLTRXYSJ-UHFFFAOYSA-N -1 0 359.404 -0.287 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)C2CCOCC2)CC1 ZINC001337997813 850851702 /nfs/dbraw/zinc/85/17/02/850851702.db2.gz SHXIZTPJRUZXQY-UHFFFAOYSA-N -1 0 368.477 -0.327 20 0 FBADRM Cn1nccc1S(=O)(=O)[N-]C(=O)Cn1nc2n(c1=O)CCCCC2 ZINC001338004081 850851677 /nfs/dbraw/zinc/85/16/77/850851677.db2.gz HDXHHUUDCMJVHL-UHFFFAOYSA-N -1 0 354.392 -0.990 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC001338038166 850853813 /nfs/dbraw/zinc/85/38/13/850853813.db2.gz KNBWQPGPPBCQIO-UHFFFAOYSA-N -1 0 360.779 -0.586 20 0 FBADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)CCCCOC)CC1 ZINC001338039129 850853684 /nfs/dbraw/zinc/85/36/84/850853684.db2.gz SERYMNNYLCMFQG-UHFFFAOYSA-N -1 0 370.493 -0.079 20 0 FBADRM C[C@](O)(CNC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)C(=O)[O-] ZINC001338163189 850862347 /nfs/dbraw/zinc/86/23/47/850862347.db2.gz FWNAUMASGVBPGA-HNNXBMFYSA-N -1 0 369.399 -0.467 20 0 FBADRM C[C@@](O)(CNC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)C(=O)[O-] ZINC001338163191 850862384 /nfs/dbraw/zinc/86/23/84/850862384.db2.gz FWNAUMASGVBPGA-OAHLLOKOSA-N -1 0 369.399 -0.467 20 0 FBADRM CCOC(=O)CN(C)S(=O)(=O)[N-]C(=O)C1CCN(CC(F)F)CC1 ZINC001338201887 850863905 /nfs/dbraw/zinc/86/39/05/850863905.db2.gz HIPWZMRIMORYOU-UHFFFAOYSA-N -1 0 371.406 -0.181 20 0 FBADRM CCOC(=O)CN(C)S(=O)(=O)[N-]C(=O)CN1CCc2ccccc21 ZINC001338201954 850863870 /nfs/dbraw/zinc/86/38/70/850863870.db2.gz IDOBYNUAQDXXMJ-UHFFFAOYSA-N -1 0 355.416 -0.095 20 0 FBADRM CCOC(=O)CN(C)S(=O)(=O)[N-]C(=O)CN(C)Cc1ccccc1 ZINC001338202335 850863406 /nfs/dbraw/zinc/86/34/06/850863406.db2.gz KNGIPDGQSBWEFZ-UHFFFAOYSA-N -1 0 357.432 -0.026 20 0 FBADRM C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001338266664 850868642 /nfs/dbraw/zinc/86/86/42/850868642.db2.gz BBYKLSGQKZDEMI-CGQWYARDSA-N -1 0 360.417 -0.177 20 0 FBADRM C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001338266665 850869118 /nfs/dbraw/zinc/86/91/18/850869118.db2.gz BBYKLSGQKZDEMI-LWHSBAFCSA-N -1 0 360.417 -0.177 20 0 FBADRM C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001338266666 850869065 /nfs/dbraw/zinc/86/90/65/850869065.db2.gz BBYKLSGQKZDEMI-QNLYAUKNSA-N -1 0 360.417 -0.177 20 0 FBADRM C[C@H](C[S@](C)=O)N(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001338266667 850869145 /nfs/dbraw/zinc/86/91/45/850869145.db2.gz BBYKLSGQKZDEMI-YNSPTIENSA-N -1 0 360.417 -0.177 20 0 FBADRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(CNC(N)=O)cc2)C1=O ZINC001338287828 850870376 /nfs/dbraw/zinc/87/03/76/850870376.db2.gz NBZOGQUYPMSIHN-LLVKDONJSA-N -1 0 354.388 -0.862 20 0 FBADRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(CNC(N)=O)cc2)C1=O ZINC001338287829 850870184 /nfs/dbraw/zinc/87/01/84/850870184.db2.gz NBZOGQUYPMSIHN-NSHDSACASA-N -1 0 354.388 -0.862 20 0 FBADRM C[C@H](CN(C)C(=O)c1ccc(S(=O)(=O)N(C)C)nc1)c1nnn[n-]1 ZINC001338288330 850870133 /nfs/dbraw/zinc/87/01/33/850870133.db2.gz PYVAJMWFGSCQFI-SECBINFHSA-N -1 0 353.408 -0.279 20 0 FBADRM C[C@@H](CN(C)C(=O)c1ccc(S(=O)(=O)N(C)C)nc1)c1nnn[n-]1 ZINC001338288333 850870095 /nfs/dbraw/zinc/87/00/95/850870095.db2.gz PYVAJMWFGSCQFI-VIFPVBQESA-N -1 0 353.408 -0.279 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)CN1CCN(c2ccccn2)CC1 ZINC001338288902 850870427 /nfs/dbraw/zinc/87/04/27/850870427.db2.gz RXBIHWAPTHJURZ-UHFFFAOYSA-N -1 0 355.464 -0.094 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)[C@@H]3CCNC(=O)C3)cc2n(C)c1=O ZINC001338291692 850871095 /nfs/dbraw/zinc/87/10/95/850871095.db2.gz FEYLTRFLFJFTLQ-SECBINFHSA-N -1 0 366.399 -0.792 20 0 FBADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)[C@H]3CCNC(=O)C3)cc2n(C)c1=O ZINC001338291693 850871273 /nfs/dbraw/zinc/87/12/73/850871273.db2.gz FEYLTRFLFJFTLQ-VIFPVBQESA-N -1 0 366.399 -0.792 20 0 FBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001338359593 850875389 /nfs/dbraw/zinc/87/53/89/850875389.db2.gz VJMYCRINEKEHLS-CMPLNLGQSA-N -1 0 355.376 -0.458 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001338359595 850875699 /nfs/dbraw/zinc/87/56/99/850875699.db2.gz VJMYCRINEKEHLS-JQWIXIFHSA-N -1 0 355.376 -0.458 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001338359596 850875357 /nfs/dbraw/zinc/87/53/57/850875357.db2.gz VJMYCRINEKEHLS-PWSUYJOCSA-N -1 0 355.376 -0.458 20 0 FBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001338359598 850875287 /nfs/dbraw/zinc/87/52/87/850875287.db2.gz VJMYCRINEKEHLS-ZYHUDNBSSA-N -1 0 355.376 -0.458 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])s1 ZINC001338371389 850875922 /nfs/dbraw/zinc/87/59/22/850875922.db2.gz ILEXIRJHDRFFCZ-JTQLQIEISA-N -1 0 350.418 -0.459 20 0 FBADRM CS(=O)(=O)Cc1ccc(S(=O)(=O)NCCOCC(=O)[O-])cc1 ZINC001338371479 850875756 /nfs/dbraw/zinc/87/57/56/850875756.db2.gz JWZBJINTKOYSEU-UHFFFAOYSA-N -1 0 351.402 -0.389 20 0 FBADRM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccnc(C(=O)N(C)C)c1 ZINC001338383331 850876764 /nfs/dbraw/zinc/87/67/64/850876764.db2.gz MQNMZLZVBZPHED-UHFFFAOYSA-N -1 0 353.360 -0.484 20 0 FBADRM COCc1ccccc1S(=O)(=O)N[C@H](CN1CCOCC1)C(=O)[O-] ZINC001338387164 850877026 /nfs/dbraw/zinc/87/70/26/850877026.db2.gz HMVQKNBKJNFTKI-CYBMUJFWSA-N -1 0 358.416 -0.103 20 0 FBADRM COCc1ccccc1S(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)[O-] ZINC001338387166 850876980 /nfs/dbraw/zinc/87/69/80/850876980.db2.gz HMVQKNBKJNFTKI-ZDUSSCGKSA-N -1 0 358.416 -0.103 20 0 FBADRM Cc1nc(S(=O)(=O)N[C@H](CCC(=O)[O-])CN2CCOCC2)cn1C ZINC001338387442 850876968 /nfs/dbraw/zinc/87/69/68/850876968.db2.gz LGHYNSJNFQWOSA-GFCCVEGCSA-N -1 0 360.436 -0.428 20 0 FBADRM Cc1nc(S(=O)(=O)N[C@@H](CCC(=O)[O-])CN2CCOCC2)cn1C ZINC001338387443 850876622 /nfs/dbraw/zinc/87/66/22/850876622.db2.gz LGHYNSJNFQWOSA-LBPRGKRZSA-N -1 0 360.436 -0.428 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)cn1C ZINC001338387801 850876604 /nfs/dbraw/zinc/87/66/04/850876604.db2.gz RQPWQDHAJLNPDJ-UHFFFAOYSA-N -1 0 359.404 -0.407 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])c1 ZINC001338387913 850876938 /nfs/dbraw/zinc/87/69/38/850876938.db2.gz SSAXCYJANVQLMB-AWEZNQCLSA-N -1 0 356.400 -0.047 20 0 FBADRM CC(=O)c1cccc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])c1 ZINC001338388348 850877083 /nfs/dbraw/zinc/87/70/83/850877083.db2.gz SSAXCYJANVQLMB-CQSZACIVSA-N -1 0 356.400 -0.047 20 0 FBADRM O=C([O-])CC[C@H](CN1CCOCC1)NS(=O)(=O)c1cnc2n1CCC2 ZINC001338388427 850876628 /nfs/dbraw/zinc/87/66/28/850876628.db2.gz WKTIKJVAYZNMDP-GFCCVEGCSA-N -1 0 372.447 -0.327 20 0 FBADRM O=C([O-])CC[C@@H](CN1CCOCC1)NS(=O)(=O)c1cnc2n1CCC2 ZINC001338388428 850876835 /nfs/dbraw/zinc/87/68/35/850876835.db2.gz WKTIKJVAYZNMDP-LBPRGKRZSA-N -1 0 372.447 -0.327 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C)cnc21 ZINC001338400934 850877842 /nfs/dbraw/zinc/87/78/42/850877842.db2.gz CHCIMOSTOMXBHX-UHFFFAOYSA-N -1 0 353.404 -0.065 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001338470228 850881174 /nfs/dbraw/zinc/88/11/74/850881174.db2.gz IIXJGDFJPWJCPK-TUAOUCFPSA-N -1 0 354.407 -0.212 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001338470229 850881830 /nfs/dbraw/zinc/88/18/30/850881830.db2.gz IIXJGDFJPWJCPK-UTUOFQBUSA-N -1 0 354.407 -0.212 20 0 FBADRM COC(=O)CN(C)CC[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC001338532970 850888907 /nfs/dbraw/zinc/88/89/07/850888907.db2.gz UTWWWPJWRNESLU-UHFFFAOYSA-N -1 0 351.406 -0.687 20 0 FBADRM COC(=O)NCCC(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C ZINC001338710118 850901315 /nfs/dbraw/zinc/90/13/15/850901315.db2.gz NULHVKYZBONXLI-UHFFFAOYSA-N -1 0 358.376 -0.666 20 0 FBADRM C[C@H](c1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc1)N1CCOCC1 ZINC001338722614 850902699 /nfs/dbraw/zinc/90/26/99/850902699.db2.gz CGONURHFZHMTGV-LLVKDONJSA-N -1 0 350.375 -0.449 20 0 FBADRM C[C@@H](c1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc1)N1CCOCC1 ZINC001338722616 850902785 /nfs/dbraw/zinc/90/27/85/850902785.db2.gz CGONURHFZHMTGV-NSHDSACASA-N -1 0 350.375 -0.449 20 0 FBADRM NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC001338724172 850902538 /nfs/dbraw/zinc/90/25/38/850902538.db2.gz OBUXEXGIQNLDHX-UHFFFAOYSA-N -1 0 354.750 -0.296 20 0 FBADRM CCCNC(=O)c1ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc1Cl ZINC001338725101 850902587 /nfs/dbraw/zinc/90/25/87/850902587.db2.gz ZZULVSSVZAKKSL-UHFFFAOYSA-N -1 0 356.766 -0.049 20 0 FBADRM CC(C)N1C(=S)N=NC1CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001338742310 850904795 /nfs/dbraw/zinc/90/47/95/850904795.db2.gz KBBFFOPGVWDBKD-UHFFFAOYSA-N -1 0 362.419 -0.109 20 0 FBADRM Cc1c(C(=O)[N-]S(=O)(=O)N(C)C)nnn1-c1ccc2c(c1)OCCO2 ZINC001338764396 850905820 /nfs/dbraw/zinc/90/58/20/850905820.db2.gz FWANANJHGZTKDR-UHFFFAOYSA-N -1 0 367.387 -0.117 20 0 FBADRM CSc1nc(=O)n(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)[n-]1 ZINC001338771092 850905830 /nfs/dbraw/zinc/90/58/30/850905830.db2.gz YDTAFGBKTHZRAR-UHFFFAOYSA-N -1 0 367.416 -0.279 20 0 FBADRM CS(=O)(=O)c1ccc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)s1 ZINC001338840033 850907975 /nfs/dbraw/zinc/90/79/75/850907975.db2.gz LPQIBUDHXMXMOQ-UHFFFAOYSA-N -1 0 367.412 -0.147 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC001338924977 850910962 /nfs/dbraw/zinc/91/09/62/850910962.db2.gz YKQQAFUJWXCTFX-UHFFFAOYSA-N -1 0 353.422 -0.154 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCCC3)cn1 ZINC001338944509 850911836 /nfs/dbraw/zinc/91/18/36/850911836.db2.gz SQCXMEBAQBSHBJ-UHFFFAOYSA-N -1 0 365.415 -0.020 20 0 FBADRM CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC001338981148 850912910 /nfs/dbraw/zinc/91/29/10/850912910.db2.gz QBEMRCFAQPDZLN-UHFFFAOYSA-N -1 0 371.341 -0.061 20 0 FBADRM Cc1nc(S(=O)(=O)N2CCC(C(=O)[N-]S(C)(=O)=O)CC2)cn1C ZINC001339047623 850917120 /nfs/dbraw/zinc/91/71/20/850917120.db2.gz CXPZFBMRBFZFCU-UHFFFAOYSA-N -1 0 364.449 -0.795 20 0 FBADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)CCc1nc(-c2ncccn2)no1 ZINC001339095155 850920549 /nfs/dbraw/zinc/92/05/49/850920549.db2.gz PWPYVGSXYURIOD-SECBINFHSA-N -1 0 355.376 -0.060 20 0 FBADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CCc1nc(-c2ncccn2)no1 ZINC001339095158 850920374 /nfs/dbraw/zinc/92/03/74/850920374.db2.gz PWPYVGSXYURIOD-VIFPVBQESA-N -1 0 355.376 -0.060 20 0 FBADRM Cc1nn2c(S[C@H](C)C(=O)N3CCC(C(N)=O)CC3)n[n-]c2nc1=O ZINC001339112577 850921455 /nfs/dbraw/zinc/92/14/55/850921455.db2.gz VQPMDRNGEFHFRW-MRVPVSSYSA-N -1 0 365.419 -0.674 20 0 FBADRM Cc1nn2c(S[C@@H](C)C(=O)N3CCC(C(N)=O)CC3)n[n-]c2nc1=O ZINC001339112578 850921203 /nfs/dbraw/zinc/92/12/03/850921203.db2.gz VQPMDRNGEFHFRW-QMMMGPOBSA-N -1 0 365.419 -0.674 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC001339116922 850921619 /nfs/dbraw/zinc/92/16/19/850921619.db2.gz FFIFORLUUZMUNJ-AWEZNQCLSA-N -1 0 353.379 -0.481 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC001339116923 850921640 /nfs/dbraw/zinc/92/16/40/850921640.db2.gz FFIFORLUUZMUNJ-CQSZACIVSA-N -1 0 353.379 -0.481 20 0 FBADRM CS(=O)(=O)c1cccc(CS(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)c1 ZINC001339119443 850921705 /nfs/dbraw/zinc/92/17/05/850921705.db2.gz ZJBJVVLYDOGULU-CYBMUJFWSA-N -1 0 363.413 -0.559 20 0 FBADRM CS(=O)(=O)c1cccc(CS(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1 ZINC001339119444 850921713 /nfs/dbraw/zinc/92/17/13/850921713.db2.gz ZJBJVVLYDOGULU-ZDUSSCGKSA-N -1 0 363.413 -0.559 20 0 FBADRM Cn1c(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc(Br)c1C=O ZINC001339193666 850923450 /nfs/dbraw/zinc/92/34/50/850923450.db2.gz JOZHVNNZQGWZCB-UHFFFAOYSA-N -1 0 372.175 -0.031 20 0 FBADRM Cc1nn(C)c(Br)c1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001339194289 848167969 /nfs/dbraw/zinc/16/79/69/848167969.db2.gz MCJGKUCZXROKNK-UHFFFAOYSA-N -1 0 359.180 -0.140 20 0 FBADRM Cn1cc(S(=O)(=O)[N-]C(=O)Cc2csc(-c3nc[nH]n3)n2)cn1 ZINC001339231191 850925764 /nfs/dbraw/zinc/92/57/64/850925764.db2.gz YSYGTYFPKRDSGB-UHFFFAOYSA-N -1 0 353.389 -0.291 20 0 FBADRM COc1cc(F)cc(F)c1S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC001339299905 850928551 /nfs/dbraw/zinc/92/85/51/850928551.db2.gz AZVGNGQTDAYTLG-UHFFFAOYSA-N -1 0 352.315 -0.157 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)c1nnn(Cc2noc(C)n2)c1C ZINC001339364586 850930681 /nfs/dbraw/zinc/93/06/81/850930681.db2.gz IMNNWDQVOVCZFF-UHFFFAOYSA-N -1 0 357.396 -0.357 20 0 FBADRM Cc1nc(Cn2nnc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)c2C)no1 ZINC001339365921 850930730 /nfs/dbraw/zinc/93/07/30/850930730.db2.gz VWNNMMZDOCQIJG-UHFFFAOYSA-N -1 0 368.297 -0.052 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)c1nnn(Cc2noc(C)n2)c1C ZINC001339365939 850930415 /nfs/dbraw/zinc/93/04/15/850930415.db2.gz WQYJCWBHPBQCOX-UHFFFAOYSA-N -1 0 357.396 -0.357 20 0 FBADRM Cc1nc(Cn2cc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)nn2)no1 ZINC001339365976 850930664 /nfs/dbraw/zinc/93/06/64/850930664.db2.gz XZDPIVRXAYJZEP-UHFFFAOYSA-N -1 0 354.270 -0.360 20 0 FBADRM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC001339378312 850930586 /nfs/dbraw/zinc/93/05/86/850930586.db2.gz RTFRMDDQSXEXLW-JTQLQIEISA-N -1 0 365.415 -0.019 20 0 FBADRM NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC001339378315 850930550 /nfs/dbraw/zinc/93/05/50/850930550.db2.gz RTFRMDDQSXEXLW-SNVBAGLBSA-N -1 0 365.415 -0.019 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2C[C@@H]3COC[C@H](C2)C3=O)cc1 ZINC001339396632 850931654 /nfs/dbraw/zinc/93/16/54/850931654.db2.gz NMSNHDSFKWNNHQ-YOGCLGLASA-N -1 0 366.395 -0.168 20 0 FBADRM C[S@@](=O)CCN1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC001339433077 850932257 /nfs/dbraw/zinc/93/22/57/850932257.db2.gz QHPONSLEHQTZTC-RUZDIDTESA-N -1 0 365.415 -0.428 20 0 FBADRM C[S@](=O)CCN1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC001339433078 850932507 /nfs/dbraw/zinc/93/25/07/850932507.db2.gz QHPONSLEHQTZTC-VWLOTQADSA-N -1 0 365.415 -0.428 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2c(C)nn(COC)c2C)n1 ZINC001339437051 850932641 /nfs/dbraw/zinc/93/26/41/850932641.db2.gz DSOFCTLUZAEEIE-UHFFFAOYSA-N -1 0 357.396 -0.758 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)NC2(C(=O)[O-])CCCC2)CC1 ZINC001339453340 850932351 /nfs/dbraw/zinc/93/23/51/850932351.db2.gz DZTQYGBOTNNVFT-UHFFFAOYSA-N -1 0 362.452 -0.740 20 0 FBADRM O=C([O-])[C@]1(N2CCN(C(=O)c3cnc4n3CCOC4)CC2)CCOC1 ZINC001339471053 850933730 /nfs/dbraw/zinc/93/37/30/850933730.db2.gz KSHRSQQIEZJKBF-INIZCTEOSA-N -1 0 350.375 -0.585 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(C(=O)c3cnc4n3CCOC4)CC2)CCOC1 ZINC001339471054 850934046 /nfs/dbraw/zinc/93/40/46/850934046.db2.gz KSHRSQQIEZJKBF-MRXNPFEDSA-N -1 0 350.375 -0.585 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC001339482667 850934826 /nfs/dbraw/zinc/93/48/26/850934826.db2.gz QPVBCUIYQNXOOK-UHFFFAOYSA-N -1 0 371.415 -0.446 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC001339483759 850934900 /nfs/dbraw/zinc/93/49/00/850934900.db2.gz UIPFSSIDNJKDQD-UHFFFAOYSA-N -1 0 351.359 -0.208 20 0 FBADRM O=C([O-])CN(CCN1CCOCC1)C(=O)NCCCN1CCOCC1 ZINC001339494339 850934935 /nfs/dbraw/zinc/93/49/35/850934935.db2.gz VUOJVYNWJLWGSA-UHFFFAOYSA-N -1 0 358.439 -0.863 20 0 FBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)C(C)(C)N1CCOCC1 ZINC001339523990 850935875 /nfs/dbraw/zinc/93/58/75/850935875.db2.gz NZXKRSFHOAEBEW-CYBMUJFWSA-N -1 0 355.435 -0.121 20 0 FBADRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)C(C)(C)N1CCOCC1 ZINC001339523992 850936152 /nfs/dbraw/zinc/93/61/52/850936152.db2.gz NZXKRSFHOAEBEW-ZDUSSCGKSA-N -1 0 355.435 -0.121 20 0 FBADRM CN(C)Cc1cc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)no1 ZINC001339540772 850936917 /nfs/dbraw/zinc/93/69/17/850936917.db2.gz WPSMFPPBDJVOEL-INIZCTEOSA-N -1 0 352.391 -0.262 20 0 FBADRM CN(C)Cc1cc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)no1 ZINC001339540775 850937318 /nfs/dbraw/zinc/93/73/18/850937318.db2.gz WPSMFPPBDJVOEL-MRXNPFEDSA-N -1 0 352.391 -0.262 20 0 FBADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)n1 ZINC001339576756 850937861 /nfs/dbraw/zinc/93/78/61/850937861.db2.gz RXHOOCJUTXAZFJ-UHFFFAOYSA-N -1 0 364.387 -0.889 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)n1 ZINC001339576850 850938525 /nfs/dbraw/zinc/93/85/25/850938525.db2.gz UDCDMFWMGFTSAZ-UHFFFAOYSA-N -1 0 367.387 -0.046 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001339708434 850942938 /nfs/dbraw/zinc/94/29/38/850942938.db2.gz FSBRGVPTAKHYMX-SECBINFHSA-N -1 0 352.313 -0.439 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001339708435 850942547 /nfs/dbraw/zinc/94/25/47/850942547.db2.gz FSBRGVPTAKHYMX-VIFPVBQESA-N -1 0 352.313 -0.439 20 0 FBADRM Cc1[nH]c2ccnn2c(=O)c1CC(=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC001339792973 850946609 /nfs/dbraw/zinc/94/66/09/850946609.db2.gz FEJWLTSXLQHHJI-UHFFFAOYSA-N -1 0 361.383 -0.085 20 0 FBADRM CC(C)[C@H](C(=O)N1CCC(O)(c2nnn[n-]2)CC1)N1CCCS1(=O)=O ZINC001339802989 850948005 /nfs/dbraw/zinc/94/80/05/850948005.db2.gz KWWXHFJADDALRQ-LLVKDONJSA-N -1 0 372.451 -0.930 20 0 FBADRM CC(C)[C@@H](C(=O)N1CCC(O)(c2nnn[n-]2)CC1)N1CCCS1(=O)=O ZINC001339802998 850947770 /nfs/dbraw/zinc/94/77/70/850947770.db2.gz KWWXHFJADDALRQ-NSHDSACASA-N -1 0 372.451 -0.930 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1)c1cnn(C)c1 ZINC001339826985 850948960 /nfs/dbraw/zinc/94/89/60/850948960.db2.gz UCYXLBCKNWFFBR-LLVKDONJSA-N -1 0 355.376 -0.950 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1)c1cnn(C)c1 ZINC001339826986 850948780 /nfs/dbraw/zinc/94/87/80/850948780.db2.gz UCYXLBCKNWFFBR-NSHDSACASA-N -1 0 355.376 -0.950 20 0 FBADRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1)c1cnn(C)c1 ZINC001339827652 850948453 /nfs/dbraw/zinc/94/84/53/850948453.db2.gz WWARAAIEEPKZGV-GFCCVEGCSA-N -1 0 364.387 -0.106 20 0 FBADRM CO[C@H](C(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1)c1cnn(C)c1 ZINC001339827656 850949121 /nfs/dbraw/zinc/94/91/21/850949121.db2.gz WWARAAIEEPKZGV-LBPRGKRZSA-N -1 0 364.387 -0.106 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)c1cnn(CC(=O)NC2CCCCC2)c1 ZINC001339837512 850949019 /nfs/dbraw/zinc/94/90/19/850949019.db2.gz OGDKRCSUZBSMMB-UHFFFAOYSA-N -1 0 357.436 -0.132 20 0 FBADRM Cc1nn2c([n-]nc2S[C@H]2CCN(C3CCOCC3)C2=O)nc1=O ZINC001339878854 850951101 /nfs/dbraw/zinc/95/11/01/850951101.db2.gz FQYSNAXALQSANB-JTQLQIEISA-N -1 0 350.404 -0.007 20 0 FBADRM Cc1nn2c([n-]nc2S[C@@H]2CCN(C3CCOCC3)C2=O)nc1=O ZINC001339878855 850950778 /nfs/dbraw/zinc/95/07/78/850950778.db2.gz FQYSNAXALQSANB-SNVBAGLBSA-N -1 0 350.404 -0.007 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCOC[C@@]34CCOC4)cc-2c(=O)[n-]1 ZINC001339900484 850951835 /nfs/dbraw/zinc/95/18/35/850951835.db2.gz DIXNLKYPMVAQST-AWEZNQCLSA-N -1 0 368.371 -0.384 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCOC[C@]34CCOC4)cc-2c(=O)[n-]1 ZINC001339900486 850952199 /nfs/dbraw/zinc/95/21/99/850952199.db2.gz DIXNLKYPMVAQST-CQSZACIVSA-N -1 0 368.371 -0.384 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)CO[C@@H]2CCOC2)c1 ZINC001339941819 850955368 /nfs/dbraw/zinc/95/53/68/850955368.db2.gz MBODHQRKZFWUPX-LLVKDONJSA-N -1 0 367.387 -0.513 20 0 FBADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)CO[C@H]2CCOC2)c1 ZINC001339941820 850955570 /nfs/dbraw/zinc/95/55/70/850955570.db2.gz MBODHQRKZFWUPX-NSHDSACASA-N -1 0 367.387 -0.513 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)CO[C@H]2CCOC2)c1 ZINC001339942282 850955331 /nfs/dbraw/zinc/95/53/31/850955331.db2.gz QMARNIFXGQNBBG-JTQLQIEISA-N -1 0 363.413 -0.300 20 0 FBADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)CO[C@@H]2CCOC2)c1 ZINC001339942285 850955477 /nfs/dbraw/zinc/95/54/77/850955477.db2.gz QMARNIFXGQNBBG-SNVBAGLBSA-N -1 0 363.413 -0.300 20 0 FBADRM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)CO[C@@H]2CCOC2)c1 ZINC001339942680 850955383 /nfs/dbraw/zinc/95/53/83/850955383.db2.gz SOOIFUWGVGGVFL-GFCCVEGCSA-N -1 0 356.400 -0.001 20 0 FBADRM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)CO[C@H]2CCOC2)c1 ZINC001339942682 850955263 /nfs/dbraw/zinc/95/52/63/850955263.db2.gz SOOIFUWGVGGVFL-LBPRGKRZSA-N -1 0 356.400 -0.001 20 0 FBADRM O=c1nc2[nH]cc(S(=O)(=O)N3C[C@@H]4COC[C@H](C3)O4)cc-2c(=O)[n-]1 ZINC001339979029 850958580 /nfs/dbraw/zinc/95/85/80/850958580.db2.gz PUFVFUFMEQJNGS-OCAPTIKFSA-N -1 0 354.344 -0.776 20 0 FBADRM O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)c1cccc2c1OCO2 ZINC001339980250 850958144 /nfs/dbraw/zinc/95/81/44/850958144.db2.gz VPUAUCGFOBPEJI-JTQLQIEISA-N -1 0 358.372 -0.521 20 0 FBADRM O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)c1cccc2c1OCO2 ZINC001339980251 850958131 /nfs/dbraw/zinc/95/81/31/850958131.db2.gz VPUAUCGFOBPEJI-SNVBAGLBSA-N -1 0 358.372 -0.521 20 0 FBADRM CCCS(=O)(=O)N1CCC(NC(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001340031021 850961509 /nfs/dbraw/zinc/96/15/09/850961509.db2.gz VJRDXKHMDVPXMF-UHFFFAOYSA-N -1 0 367.431 -0.043 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)C[C@H]1C1CC1 ZINC001340080710 850964037 /nfs/dbraw/zinc/96/40/37/850964037.db2.gz WTIVNTNZNFPRCQ-HZSPNIEDSA-N -1 0 351.403 -0.901 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)C[C@H]1C1CC1 ZINC001340080711 850964059 /nfs/dbraw/zinc/96/40/59/850964059.db2.gz WTIVNTNZNFPRCQ-MELADBBJSA-N -1 0 351.403 -0.901 20 0 FBADRM CNS(=O)(=O)c1ccc(CNC(=O)c2c[n-]n3c2nccc3=O)s1 ZINC001340104848 850966477 /nfs/dbraw/zinc/96/64/77/850966477.db2.gz LKOGFNPJQPVBEA-UHFFFAOYSA-N -1 0 367.412 -0.078 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC001340335021 850981300 /nfs/dbraw/zinc/98/13/00/850981300.db2.gz IBZCHZJRFLBFQI-UHFFFAOYSA-N -1 0 351.425 -0.951 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)cc1 ZINC001340396165 850984526 /nfs/dbraw/zinc/98/45/26/850984526.db2.gz UJFHDCDNCGJVEI-SECBINFHSA-N -1 0 360.413 -0.579 20 0 FBADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)cc1 ZINC001340396166 850984626 /nfs/dbraw/zinc/98/46/26/850984626.db2.gz UJFHDCDNCGJVEI-VIFPVBQESA-N -1 0 360.413 -0.579 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)NCCOCC(F)(F)C(F)F)CC1 ZINC001340483746 850989470 /nfs/dbraw/zinc/98/94/70/850989470.db2.gz HUVRBNJXULOLSR-UHFFFAOYSA-N -1 0 359.276 -0.158 20 0 FBADRM O=C(C[C@H]1COC(=O)C1)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC001340545751 850991432 /nfs/dbraw/zinc/99/14/32/850991432.db2.gz ZGBUUGLOTMVZSO-SECBINFHSA-N -1 0 351.344 -0.580 20 0 FBADRM O=C(C[C@@H]1COC(=O)C1)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC001340545753 850991710 /nfs/dbraw/zinc/99/17/10/850991710.db2.gz ZGBUUGLOTMVZSO-VIFPVBQESA-N -1 0 351.344 -0.580 20 0 FBADRM CS(=O)(=O)NCCNC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001340563428 850993690 /nfs/dbraw/zinc/99/36/90/850993690.db2.gz KMDNPTLRDVZJOI-UHFFFAOYSA-N -1 0 352.372 -0.151 20 0 FBADRM O=C([O-])CN(C(=O)CS[C@@H]1CCS(=O)(=O)C1)C1CCOCC1 ZINC001340574641 850994583 /nfs/dbraw/zinc/99/45/83/850994583.db2.gz YAYPYOVLVCPKNY-LLVKDONJSA-N -1 0 351.446 -0.001 20 0 FBADRM O=C([O-])CN(C(=O)CS[C@H]1CCS(=O)(=O)C1)C1CCOCC1 ZINC001340574643 850994899 /nfs/dbraw/zinc/99/48/99/850994899.db2.gz YAYPYOVLVCPKNY-NSHDSACASA-N -1 0 351.446 -0.001 20 0 FBADRM CCCN(C)S(=O)(=O)[N-]C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC001340716955 851003161 /nfs/dbraw/zinc/00/31/61/851003161.db2.gz JOIBBCJTQQQDOP-UHFFFAOYSA-N -1 0 356.408 -0.296 20 0 FBADRM Cc1nn(C)c(C)c1[C@@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001340740446 851005169 /nfs/dbraw/zinc/00/51/69/851005169.db2.gz DBQTYNXMFUXTEJ-CMPLNLGQSA-N -1 0 358.420 -0.009 20 0 FBADRM Cc1nn(C)c(C)c1[C@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001340740458 851005408 /nfs/dbraw/zinc/00/54/08/851005408.db2.gz DBQTYNXMFUXTEJ-JQWIXIFHSA-N -1 0 358.420 -0.009 20 0 FBADRM Cc1nn(C)c(C)c1[C@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001340740460 851005760 /nfs/dbraw/zinc/00/57/60/851005760.db2.gz DBQTYNXMFUXTEJ-PWSUYJOCSA-N -1 0 358.420 -0.009 20 0 FBADRM Cc1nn(C)c(C)c1[C@@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001340740462 851005684 /nfs/dbraw/zinc/00/56/84/851005684.db2.gz DBQTYNXMFUXTEJ-ZYHUDNBSSA-N -1 0 358.420 -0.009 20 0 FBADRM CSCCO[N-]C(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC001340758595 851005720 /nfs/dbraw/zinc/00/57/20/851005720.db2.gz BRQHLBWYGZMSGE-UHFFFAOYSA-N -1 0 368.415 -0.407 20 0 FBADRM CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)CC1OCCCO1 ZINC001340759501 851006902 /nfs/dbraw/zinc/00/69/02/851006902.db2.gz HKCCVXTVPONMBU-UHFFFAOYSA-N -1 0 357.388 -0.259 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NCCOc1ccc2c(c1)OCO2 ZINC001340777910 851006729 /nfs/dbraw/zinc/00/67/29/851006729.db2.gz OSNRFDNRORJSFN-LLVKDONJSA-N -1 0 352.343 -0.005 20 0 FBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NCCOc1ccc2c(c1)OCO2 ZINC001340778501 851007402 /nfs/dbraw/zinc/00/74/02/851007402.db2.gz OSNRFDNRORJSFN-NSHDSACASA-N -1 0 352.343 -0.005 20 0 FBADRM COCCO[N-]C(=O)C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001340831588 851010190 /nfs/dbraw/zinc/01/01/90/851010190.db2.gz APENNJGOCXSPBP-LLVKDONJSA-N -1 0 373.431 -0.192 20 0 FBADRM COCCO[N-]C(=O)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001340831590 851010570 /nfs/dbraw/zinc/01/05/70/851010570.db2.gz APENNJGOCXSPBP-NSHDSACASA-N -1 0 373.431 -0.192 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C ZINC001340868477 851013504 /nfs/dbraw/zinc/01/35/04/851013504.db2.gz WROZIDNKPMHVOD-JTQLQIEISA-N -1 0 352.395 -0.511 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCn2c(C(C)C)nnc2[C@H]1C ZINC001340868479 851013948 /nfs/dbraw/zinc/01/39/48/851013948.db2.gz WROZIDNKPMHVOD-SNVBAGLBSA-N -1 0 352.395 -0.511 20 0 FBADRM COCC(=O)N1CC[C@H]2CN(C(=O)CCCn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001340894286 851015708 /nfs/dbraw/zinc/01/57/08/851015708.db2.gz UTSKEQKIQLMPII-WDEREUQCSA-N -1 0 353.379 -0.825 20 0 FBADRM COCCn1cc(S(=O)(=O)[N-]c2ccnc(C(=O)N(C)C)c2)cn1 ZINC001340912889 851017838 /nfs/dbraw/zinc/01/78/38/851017838.db2.gz UHIZIJMBDDVCHV-UHFFFAOYSA-N -1 0 353.404 -0.151 20 0 FBADRM CCCOCC(=O)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001340931112 851020026 /nfs/dbraw/zinc/02/00/26/851020026.db2.gz WYFCLIJMWUETPK-VHSXEESVSA-N -1 0 351.363 -0.618 20 0 FBADRM COCCCC(=O)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001340931272 851020244 /nfs/dbraw/zinc/02/02/44/851020244.db2.gz ZREPPHDXDCPHJY-VHSXEESVSA-N -1 0 351.363 -0.618 20 0 FBADRM CO[C@@H](C)CC(=O)N1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001340946409 851021160 /nfs/dbraw/zinc/02/11/60/851021160.db2.gz VNXLHFKPSUVORL-GARJFASQSA-N -1 0 353.379 -0.826 20 0 FBADRM CO[C@H](C)CC(=O)N1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001340946410 851021312 /nfs/dbraw/zinc/02/13/12/851021312.db2.gz VNXLHFKPSUVORL-OUAUKWLOSA-N -1 0 353.379 -0.826 20 0 FBADRM CCS(=O)(=O)[N-]C(=O)Cc1c(C)nn(-c2cncc3nnnn32)c1C ZINC001340969501 851023654 /nfs/dbraw/zinc/02/36/54/851023654.db2.gz RIWONAJNIREPHO-UHFFFAOYSA-N -1 0 364.391 -0.670 20 0 FBADRM CS[C@@H](C)CC(=O)N1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001340977864 851024505 /nfs/dbraw/zinc/02/45/05/851024505.db2.gz KVSVYMKVNJZJRY-GARJFASQSA-N -1 0 369.447 -0.110 20 0 FBADRM CS[C@H](C)CC(=O)N1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001340978186 851024273 /nfs/dbraw/zinc/02/42/73/851024273.db2.gz KVSVYMKVNJZJRY-OUAUKWLOSA-N -1 0 369.447 -0.110 20 0 FBADRM CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cn1 ZINC001340988095 851025506 /nfs/dbraw/zinc/02/55/06/851025506.db2.gz SIQXZNYDCUHGFC-GFCCVEGCSA-N -1 0 368.419 -0.070 20 0 FBADRM CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)cn1 ZINC001340988096 851026055 /nfs/dbraw/zinc/02/60/55/851026055.db2.gz SIQXZNYDCUHGFC-LBPRGKRZSA-N -1 0 368.419 -0.070 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC001340989150 851025313 /nfs/dbraw/zinc/02/53/13/851025313.db2.gz BWJZYNGYGAYHER-NXEZZACHSA-N -1 0 357.450 -0.550 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC001340989151 851025430 /nfs/dbraw/zinc/02/54/30/851025430.db2.gz BWJZYNGYGAYHER-UWVGGRQHSA-N -1 0 357.450 -0.550 20 0 FBADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC001340989152 851025883 /nfs/dbraw/zinc/02/58/83/851025883.db2.gz BWJZYNGYGAYHER-VHSXEESVSA-N -1 0 357.450 -0.550 20 0 FBADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC001340989153 851025841 /nfs/dbraw/zinc/02/58/41/851025841.db2.gz BWJZYNGYGAYHER-ZJUUUORDSA-N -1 0 357.450 -0.550 20 0 FBADRM COCCOCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)ccc1OC ZINC001340996236 851026463 /nfs/dbraw/zinc/02/64/63/851026463.db2.gz ISXUKKFSSXUHMN-UHFFFAOYSA-N -1 0 360.388 -0.348 20 0 FBADRM CCOCCOCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)ccc1OC ZINC001340997705 851026798 /nfs/dbraw/zinc/02/67/98/851026798.db2.gz PSMKROHLSPPWBZ-UHFFFAOYSA-N -1 0 360.388 -0.348 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)CO[C@H]1CCOC1 ZINC001340998565 851026969 /nfs/dbraw/zinc/02/69/69/851026969.db2.gz WOIUPMAASXUISM-JTQLQIEISA-N -1 0 358.372 -0.596 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)CO[C@@H]1CCOC1 ZINC001340998568 851026811 /nfs/dbraw/zinc/02/68/11/851026811.db2.gz WOIUPMAASXUISM-SNVBAGLBSA-N -1 0 358.372 -0.596 20 0 FBADRM CCS(=O)(=O)N1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1 ZINC001341038986 851031256 /nfs/dbraw/zinc/03/12/56/851031256.db2.gz HNSDSDKTFVHNCA-UHFFFAOYSA-N -1 0 363.436 -0.455 20 0 FBADRM CCS(=O)(=O)CC(=O)N1CC[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001341056212 851033589 /nfs/dbraw/zinc/03/35/89/851033589.db2.gz LWRAAMAPYWQYDT-WDEREUQCSA-N -1 0 370.431 -0.469 20 0 FBADRM COCC(=O)N1C[C@@H]2CCN(C(=O)CCCn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001341069289 851035097 /nfs/dbraw/zinc/03/50/97/851035097.db2.gz CBACAVIGAWCREE-WDEREUQCSA-N -1 0 353.379 -0.825 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H]3CCN(C(=O)CCS(C)(=O)=O)[C@@H]3C2)c1[O-] ZINC001341085223 851037633 /nfs/dbraw/zinc/03/76/33/851037633.db2.gz GLASWEVAVPZDCI-WDEREUQCSA-N -1 0 370.431 -0.469 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001341192531 851049055 /nfs/dbraw/zinc/04/90/55/851049055.db2.gz MPXHZHJCVUVLPF-RKDXNWHRSA-N -1 0 351.325 -0.459 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)[C@@H](C)c2cnn(C)c2)s1 ZINC001341210352 851051812 /nfs/dbraw/zinc/05/18/12/851051812.db2.gz DBHZGZFRLPXXAY-LURJTMIESA-N -1 0 358.405 -0.161 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)[C@H](C)c2cnn(C)c2)s1 ZINC001341210354 851051941 /nfs/dbraw/zinc/05/19/41/851051941.db2.gz DBHZGZFRLPXXAY-ZCFIWIBFSA-N -1 0 358.405 -0.161 20 0 FBADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)CN2CCSC2=O)s1 ZINC001341213001 851052396 /nfs/dbraw/zinc/05/23/96/851052396.db2.gz QIOMMCVQQACXAW-UHFFFAOYSA-N -1 0 365.418 -0.530 20 0 FBADRM CCCCCC(=O)N[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1O ZINC001341231373 851054904 /nfs/dbraw/zinc/05/49/04/851054904.db2.gz PBQJXCCEXGSXDJ-VXGBXAGGSA-N -1 0 352.391 -0.632 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCCO3)C2)c1[O-] ZINC001341246403 851056321 /nfs/dbraw/zinc/05/63/21/851056321.db2.gz IGYAKDKYVOYEEK-IJLUTSLNSA-N -1 0 352.391 -0.316 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCCO3)C2)c1[O-] ZINC001341246424 851056135 /nfs/dbraw/zinc/05/61/35/851056135.db2.gz IGYAKDKYVOYEEK-QJPTWQEYSA-N -1 0 352.391 -0.316 20 0 FBADRM O=C(NCc1nc(=O)o[n-]1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC001341328168 851073092 /nfs/dbraw/zinc/07/30/92/851073092.db2.gz JGZCUTGNAMRNSX-MRVPVSSYSA-N -1 0 358.401 -0.106 20 0 FBADRM O=C(NCc1nc(=O)o[n-]1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC001341328169 851073489 /nfs/dbraw/zinc/07/34/89/851073489.db2.gz JGZCUTGNAMRNSX-QMMMGPOBSA-N -1 0 358.401 -0.106 20 0 FBADRM O=C([O-])COCCOCCNC(=O)N1CCN(CC(F)(F)F)CC1 ZINC001341330021 851073229 /nfs/dbraw/zinc/07/32/29/851073229.db2.gz VVQKALBPKXKKCC-UHFFFAOYSA-N -1 0 357.329 -0.006 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCOC3)C2)c1[O-] ZINC001341338282 851074253 /nfs/dbraw/zinc/07/42/53/851074253.db2.gz HPXBVAVJXTVTTK-IJLUTSLNSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCOC3)C2)c1[O-] ZINC001341338288 851074164 /nfs/dbraw/zinc/07/41/64/851074164.db2.gz HPXBVAVJXTVTTK-QJPTWQEYSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CCOCC3CC3)C[C@H]2O)c1[O-] ZINC001341348532 851075102 /nfs/dbraw/zinc/07/51/02/851075102.db2.gz HLYHGHSDXGBXSY-VXGBXAGGSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CCOCC(C)C)C[C@H]2O)c1[O-] ZINC001341348600 851076551 /nfs/dbraw/zinc/07/65/51/851076551.db2.gz IJNXQJYOOUUJGN-VXGBXAGGSA-N -1 0 354.407 -0.212 20 0 FBADRM CCCCO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001341349639 851076429 /nfs/dbraw/zinc/07/64/29/851076429.db2.gz RFJBCXMYYPCTIU-IJLUTSLNSA-N -1 0 354.407 -0.070 20 0 FBADRM CCCCO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001341349641 851076558 /nfs/dbraw/zinc/07/65/58/851076558.db2.gz RFJBCXMYYPCTIU-QJPTWQEYSA-N -1 0 354.407 -0.070 20 0 FBADRM CN(CCCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)CC(F)(F)F ZINC001341351420 851077464 /nfs/dbraw/zinc/07/74/64/851077464.db2.gz BQHKPVKJGSTCJU-UHFFFAOYSA-N -1 0 354.329 -0.191 20 0 FBADRM CN(CC(=O)NCc1nc(=O)o[n-]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC001341369335 851079926 /nfs/dbraw/zinc/07/99/26/851079926.db2.gz IAJORRAZNSCYKJ-UHFFFAOYSA-N -1 0 360.779 -0.047 20 0 FBADRM CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NCc1nc(=O)o[n-]1)C2=O ZINC001341390013 851083129 /nfs/dbraw/zinc/08/31/29/851083129.db2.gz BWQAAEZLVINUFS-HNNXBMFYSA-N -1 0 351.363 -0.130 20 0 FBADRM CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NCc1nc(=O)o[n-]1)C2=O ZINC001341390014 851082768 /nfs/dbraw/zinc/08/27/68/851082768.db2.gz BWQAAEZLVINUFS-OAHLLOKOSA-N -1 0 351.363 -0.130 20 0 FBADRM CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2nc(=O)o[n-]2)n(C)c1 ZINC001341390968 851084079 /nfs/dbraw/zinc/08/40/79/851084079.db2.gz OIWPKGZJENTVPN-UHFFFAOYSA-N -1 0 357.392 -0.338 20 0 FBADRM COCCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCN(CC(F)F)CC1 ZINC001341393497 851083961 /nfs/dbraw/zinc/08/39/61/851083961.db2.gz VNXPTYVVAQYHGH-UHFFFAOYSA-N -1 0 357.365 -0.464 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCc1nc([C@@H]3CCCO3)n[nH]1)C2 ZINC001341414258 851087018 /nfs/dbraw/zinc/08/70/18/851087018.db2.gz LRPAEUAKRQOQIM-HFBDOXOYSA-N -1 0 351.363 -0.101 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCc1nc([C@H]3CCCO3)n[nH]1)C2 ZINC001341414259 851087153 /nfs/dbraw/zinc/08/71/53/851087153.db2.gz LRPAEUAKRQOQIM-IQMDTDKHSA-N -1 0 351.363 -0.101 20 0 FBADRM CN(C)[C@H](CCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C(F)(F)F ZINC001341453225 851095995 /nfs/dbraw/zinc/09/59/95/851095995.db2.gz VCCGFIGKSXJWOG-SECBINFHSA-N -1 0 354.329 -0.193 20 0 FBADRM CN(C)[C@@H](CCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C(F)(F)F ZINC001341453226 851095929 /nfs/dbraw/zinc/09/59/29/851095929.db2.gz VCCGFIGKSXJWOG-VIFPVBQESA-N -1 0 354.329 -0.193 20 0 FBADRM CC(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1 ZINC001341478833 851099519 /nfs/dbraw/zinc/09/95/19/851099519.db2.gz YPRLOYWJNBORIY-RKDXNWHRSA-N -1 0 353.341 -0.213 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCc1cccc(Br)c1 ZINC001341579206 851120488 /nfs/dbraw/zinc/12/04/88/851120488.db2.gz LOILLFDFUFCZFS-UHFFFAOYSA-N -1 0 358.192 -0.098 20 0 FBADRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)cn1 ZINC001341586219 851121154 /nfs/dbraw/zinc/12/11/54/851121154.db2.gz JAIUPPSLZCKKOJ-UHFFFAOYSA-N -1 0 368.375 -0.651 20 0 FBADRM CSCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001341630803 851130778 /nfs/dbraw/zinc/13/07/78/851130778.db2.gz VFLBAXFUIWYZCM-NXEZZACHSA-N -1 0 366.399 -0.017 20 0 FBADRM CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC001341633477 851132104 /nfs/dbraw/zinc/13/21/04/851132104.db2.gz NTDSLMYZDFJWLV-UHFFFAOYSA-N -1 0 358.405 -0.089 20 0 FBADRM CO[C@H](C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O)C1CCC1 ZINC001341644939 851133248 /nfs/dbraw/zinc/13/32/48/851133248.db2.gz NCDFAEQXYXANMD-GYSYKLTISA-N -1 0 352.391 -0.460 20 0 FBADRM CO[C@@H](C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O)C1CCC1 ZINC001341644943 851133168 /nfs/dbraw/zinc/13/31/68/851133168.db2.gz NCDFAEQXYXANMD-JTNHKYCSSA-N -1 0 352.391 -0.460 20 0 FBADRM CC[C@H](F)C(=O)N[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@H]1O ZINC001341694748 851142254 /nfs/dbraw/zinc/14/22/54/851142254.db2.gz YSASPMDOTNBDMQ-FXBDTBDDSA-N -1 0 352.322 -0.022 20 0 FBADRM CC[C@@H](F)C(=O)N[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@H]1O ZINC001341694749 851142354 /nfs/dbraw/zinc/14/23/54/851142354.db2.gz YSASPMDOTNBDMQ-SZEHBUNVSA-N -1 0 352.322 -0.022 20 0 FBADRM CCC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1O ZINC001341747018 851150976 /nfs/dbraw/zinc/15/09/76/851150976.db2.gz HNCFSKZXHGBJAJ-GHMZBOCLSA-N -1 0 352.391 -0.776 20 0 FBADRM COCCC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001341767790 851155222 /nfs/dbraw/zinc/15/52/22/851155222.db2.gz SCNCZJUHHSIRLD-GHMZBOCLSA-N -1 0 354.407 -0.212 20 0 FBADRM COCCC[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001341812226 851161583 /nfs/dbraw/zinc/16/15/83/851161583.db2.gz DCBOSGQVRVHFBR-MVWJERBFSA-N -1 0 354.407 -0.212 20 0 FBADRM COCCC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001341812228 851161013 /nfs/dbraw/zinc/16/10/13/851161013.db2.gz DCBOSGQVRVHFBR-YUSALJHKSA-N -1 0 354.407 -0.212 20 0 FBADRM CCOCC(=O)N[C@@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001341959761 851181833 /nfs/dbraw/zinc/18/18/33/851181833.db2.gz YXUZGWXVBDWXAH-MWLCHTKSSA-N -1 0 353.379 -0.785 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC001341972157 851182799 /nfs/dbraw/zinc/18/27/99/851182799.db2.gz WEQFBTLLIQAVFI-LLVKDONJSA-N -1 0 353.350 -0.244 20 0 FBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC001341972159 851183091 /nfs/dbraw/zinc/18/30/91/851183091.db2.gz WEQFBTLLIQAVFI-NSHDSACASA-N -1 0 353.350 -0.244 20 0 FBADRM CC(C)SCC(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001341979090 851183905 /nfs/dbraw/zinc/18/39/05/851183905.db2.gz SOCWORQRMLXWME-NXEZZACHSA-N -1 0 357.436 -0.206 20 0 FBADRM O=C([O-])CCCCCNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001341997802 851186065 /nfs/dbraw/zinc/18/60/65/851186065.db2.gz VCTNPHFAJPLWND-AWEZNQCLSA-N -1 0 355.435 -0.072 20 0 FBADRM O=C([O-])CCCCCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001341997803 851185835 /nfs/dbraw/zinc/18/58/35/851185835.db2.gz VCTNPHFAJPLWND-CQSZACIVSA-N -1 0 355.435 -0.072 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)CC1 ZINC001342016305 851187983 /nfs/dbraw/zinc/18/79/83/851187983.db2.gz FCNITUYJVAYXDP-LLVKDONJSA-N -1 0 354.450 -0.717 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)CC1 ZINC001342016308 851187710 /nfs/dbraw/zinc/18/77/10/851187710.db2.gz FCNITUYJVAYXDP-NSHDSACASA-N -1 0 354.450 -0.717 20 0 FBADRM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)cc1 ZINC001342018347 851187854 /nfs/dbraw/zinc/18/78/54/851187854.db2.gz NKTPGFRNTNNCOT-LLVKDONJSA-N -1 0 353.400 -0.281 20 0 FBADRM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)cc1 ZINC001342018359 851187815 /nfs/dbraw/zinc/18/78/15/851187815.db2.gz NKTPGFRNTNNCOT-NSHDSACASA-N -1 0 353.400 -0.281 20 0 FBADRM CCN(C[C@@H]1CCN(C(=O)C(=O)NCC(=O)[N-]OC)C1)CC(F)(F)F ZINC001342029414 851188894 /nfs/dbraw/zinc/18/88/94/851188894.db2.gz HVRLMHNZMIFVLD-JTQLQIEISA-N -1 0 368.356 -0.487 20 0 FBADRM CCN(C[C@H]1CCN(C(=O)C(=O)NCC(=O)[N-]OC)C1)CC(F)(F)F ZINC001342029415 851188960 /nfs/dbraw/zinc/18/89/60/851188960.db2.gz HVRLMHNZMIFVLD-SNVBAGLBSA-N -1 0 368.356 -0.487 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001342029707 851188893 /nfs/dbraw/zinc/18/88/93/851188893.db2.gz LTWHJASLWQFMKZ-GFCCVEGCSA-N -1 0 357.313 -0.342 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001342029710 851188967 /nfs/dbraw/zinc/18/89/67/851188967.db2.gz LTWHJASLWQFMKZ-LBPRGKRZSA-N -1 0 357.313 -0.342 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC001342029730 851188878 /nfs/dbraw/zinc/18/88/78/851188878.db2.gz LXBZWRDIWOXWNX-UHFFFAOYSA-N -1 0 352.366 -0.736 20 0 FBADRM CCCCOCC(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001342065124 851192878 /nfs/dbraw/zinc/19/28/78/851192878.db2.gz KEMVXIPHGDTXBD-GHMZBOCLSA-N -1 0 355.395 -0.531 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCCC2)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC001342076108 851194102 /nfs/dbraw/zinc/19/41/02/851194102.db2.gz ATVGQKCXSNHMMD-LLVKDONJSA-N -1 0 358.420 -0.604 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCCC2)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC001342076109 851193812 /nfs/dbraw/zinc/19/38/12/851193812.db2.gz ATVGQKCXSNHMMD-NSHDSACASA-N -1 0 358.420 -0.604 20 0 FBADRM COc1ccccc1CO[N-]C(=O)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC001342076201 851193883 /nfs/dbraw/zinc/19/38/83/851193883.db2.gz MQLWDCRJFJELPZ-UHFFFAOYSA-N -1 0 373.431 -0.313 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)[C@]3(F)CCOC3)cc2C1=O ZINC001342090981 851196412 /nfs/dbraw/zinc/19/64/12/851196412.db2.gz WUNSDYRERMXCGW-AWEZNQCLSA-N -1 0 356.331 -0.154 20 0 FBADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)[C@@]3(F)CCOC3)cc2C1=O ZINC001342091036 851196361 /nfs/dbraw/zinc/19/63/61/851196361.db2.gz WUNSDYRERMXCGW-CQSZACIVSA-N -1 0 356.331 -0.154 20 0 FBADRM CC[C@@H](C)OCC(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001342101161 851197340 /nfs/dbraw/zinc/19/73/40/851197340.db2.gz MDRSHQDTUILULZ-GMTAPVOTSA-N -1 0 355.395 -0.533 20 0 FBADRM CC[C@H](C)OCC(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001342101163 851197264 /nfs/dbraw/zinc/19/72/64/851197264.db2.gz MDRSHQDTUILULZ-OUAUKWLOSA-N -1 0 355.395 -0.533 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CCS(C)(=O)=O)C[C@H]2C)c1[O-] ZINC001342101725 851198508 /nfs/dbraw/zinc/19/85/08/851198508.db2.gz PMNDNKSJAFTJFC-PSASIEDQSA-N -1 0 358.420 -0.565 20 0 FBADRM CCNC(=O)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001342102582 851198433 /nfs/dbraw/zinc/19/84/33/851198433.db2.gz ZCPYAJNSVHJTCG-MWLCHTKSSA-N -1 0 351.407 -0.083 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)COC(C)(C)C ZINC001342111018 851199139 /nfs/dbraw/zinc/19/91/39/851199139.db2.gz ZDQOHYDUIRCBET-NXEZZACHSA-N -1 0 355.395 -0.533 20 0 FBADRM CC(C)[C@@H](O)C(=O)N[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC001342136002 851201168 /nfs/dbraw/zinc/20/11/68/851201168.db2.gz HFQXVHFMZVJWIM-YUSALJHKSA-N -1 0 352.391 -0.921 20 0 FBADRM COCCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001342199925 851210017 /nfs/dbraw/zinc/21/00/17/851210017.db2.gz ZUTYZZDDINQMAF-TXEJJXNPSA-N -1 0 352.395 -0.119 20 0 FBADRM CC(C)(C)c1nc(CN2CCN(CCS(=O)(=O)CC(=O)[O-])CC2)no1 ZINC001342255781 851214132 /nfs/dbraw/zinc/21/41/32/851214132.db2.gz SJTDKPPVXOUERB-UHFFFAOYSA-N -1 0 374.463 -0.016 20 0 FBADRM CCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001342352972 851223266 /nfs/dbraw/zinc/22/32/66/851223266.db2.gz CKYJZHQJJPIPIM-GHMZBOCLSA-N -1 0 355.395 -0.531 20 0 FBADRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)C1(CCF)CC1 ZINC001342434138 851232982 /nfs/dbraw/zinc/23/29/82/851232982.db2.gz BXRFATFXIIUPCG-NXEZZACHSA-N -1 0 355.370 -0.208 20 0 FBADRM COCCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001342460274 851234838 /nfs/dbraw/zinc/23/48/38/851234838.db2.gz DGISQVXBZBKQLA-NXEZZACHSA-N -1 0 353.379 -0.324 20 0 FBADRM C[C@@H]1CN(C(=O)COCC2CC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001342460450 851235059 /nfs/dbraw/zinc/23/50/59/851235059.db2.gz DYJMOYHLIFCSEJ-PSASIEDQSA-N -1 0 351.363 -0.714 20 0 FBADRM CCCCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001342461857 851234911 /nfs/dbraw/zinc/23/49/11/851234911.db2.gz RTYUFOZSJSIFJN-NXEZZACHSA-N -1 0 353.379 -0.324 20 0 FBADRM CCC[C@@H](OC)C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001342492007 851237063 /nfs/dbraw/zinc/23/70/63/851237063.db2.gz BVXSJYKKUCUKKP-GMTAPVOTSA-N -1 0 355.395 -0.533 20 0 FBADRM CCC[C@H](OC)C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001342492008 851236842 /nfs/dbraw/zinc/23/68/42/851236842.db2.gz BVXSJYKKUCUKKP-MXWKQRLJSA-N -1 0 355.395 -0.533 20 0 FBADRM C[C@@H]1CN(C(=O)CCC(F)(F)F)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001342497347 851237963 /nfs/dbraw/zinc/23/79/63/851237963.db2.gz GCGRKGVFZCPRSB-HTQZYQBOSA-N -1 0 365.312 -0.005 20 0 FBADRM CCSCCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001342498644 851237883 /nfs/dbraw/zinc/23/78/83/851237883.db2.gz XKPKGJWRLBBNGQ-NXEZZACHSA-N -1 0 357.436 -0.204 20 0 FBADRM Cn1cc(-n2cc(C(=O)[N-]S(=O)(=O)Cc3ccon3)ccc2=O)cn1 ZINC001342503535 851238002 /nfs/dbraw/zinc/23/80/02/851238002.db2.gz NEMFLZBINPZGTH-UHFFFAOYSA-N -1 0 363.355 -0.181 20 0 FBADRM CC(=O)N1CCN(CCNS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001342504708 851237742 /nfs/dbraw/zinc/23/77/42/851237742.db2.gz RDJKKRVSFLCWMD-UHFFFAOYSA-N -1 0 373.406 -0.034 20 0 FBADRM COCCCO[N-]C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC001342556263 851241838 /nfs/dbraw/zinc/24/18/38/851241838.db2.gz UQUCWIHIEOVDBU-UHFFFAOYSA-N -1 0 351.363 -0.959 20 0 FBADRM CCC(=O)NCc1cc(S(=O)(=O)[N-]C(=O)CNC(C)=O)ccc1OC ZINC001342613493 851246933 /nfs/dbraw/zinc/24/69/33/851246933.db2.gz FRWYZPOGTXBZHL-UHFFFAOYSA-N -1 0 371.415 -0.338 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CC1(CO)CCOCC1 ZINC001342614367 851246639 /nfs/dbraw/zinc/24/66/39/851246639.db2.gz JUJXKXHQEDITBI-UHFFFAOYSA-N -1 0 350.418 -0.003 20 0 FBADRM CCN(CC)S(=O)(=O)[N-]C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC001342614954 851246863 /nfs/dbraw/zinc/24/68/63/851246863.db2.gz NKTDITJNSDABTJ-UHFFFAOYSA-N -1 0 357.388 -0.152 20 0 FBADRM Cc1nc2ncnn2c(C)c1CCC(=O)[N-]S(=O)(=O)c1ccnn1C ZINC001342636941 851247915 /nfs/dbraw/zinc/24/79/15/851247915.db2.gz NUDQWCVCPWMLIG-UHFFFAOYSA-N -1 0 363.403 -0.088 20 0 FBADRM CN1C(=O)CN([N-]S(=O)(=O)c2ccccc2Cn2cncn2)C1=O ZINC001342671066 851251366 /nfs/dbraw/zinc/25/13/66/851251366.db2.gz DLODIQDCHSTALU-UHFFFAOYSA-N -1 0 350.360 -0.586 20 0 FBADRM NC(=O)CS(=O)(=O)[N-]C(=O)c1ccccc1COC1CCOCC1 ZINC001342673870 851251264 /nfs/dbraw/zinc/25/12/64/851251264.db2.gz FQFZMRCALGDGLB-UHFFFAOYSA-N -1 0 356.400 -0.073 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)CN(C)C(=O)OC ZINC001342690715 851252034 /nfs/dbraw/zinc/25/20/34/851252034.db2.gz HIAZPYQUPLYWGI-UHFFFAOYSA-N -1 0 351.362 -0.567 20 0 FBADRM COC(=O)CN(C)CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC001342693139 851252464 /nfs/dbraw/zinc/25/24/64/851252464.db2.gz IDHFQXWAIAKTEX-UHFFFAOYSA-N -1 0 373.431 -0.523 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC(NC(N)=O)CC2)c1 ZINC001342715499 851253839 /nfs/dbraw/zinc/25/38/39/851253839.db2.gz XDZNMXHGHGNZLN-UHFFFAOYSA-N -1 0 370.431 -0.085 20 0 FBADRM COCC(=O)N[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@H]1OC ZINC001342716089 851254020 /nfs/dbraw/zinc/25/40/20/851254020.db2.gz MHQLVPIVISRUIL-MWLCHTKSSA-N -1 0 350.331 -0.470 20 0 FBADRM CN1C(=O)CN(CC(=O)OCCOCC[N-]C(=O)C(F)(F)F)C1=O ZINC001342718904 851254983 /nfs/dbraw/zinc/25/49/83/851254983.db2.gz RNTBGDUKRFELMI-UHFFFAOYSA-N -1 0 355.269 -0.881 20 0 FBADRM CO[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)CC(C)C ZINC001342720012 851254894 /nfs/dbraw/zinc/25/48/94/851254894.db2.gz WWRPDSKIYDVUCR-VXGBXAGGSA-N -1 0 352.391 -0.512 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)CC(=O)NC[C@](C)(O)C(=O)[O-])cc1F ZINC001342777496 851263392 /nfs/dbraw/zinc/26/33/92/851263392.db2.gz KTYLMIXQEMVPCK-AWEZNQCLSA-N -1 0 361.347 -0.246 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)CC(=O)NC[C@@](C)(O)C(=O)[O-])cc1F ZINC001342777498 851262753 /nfs/dbraw/zinc/26/27/53/851262753.db2.gz KTYLMIXQEMVPCK-CQSZACIVSA-N -1 0 361.347 -0.246 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001342779109 851264032 /nfs/dbraw/zinc/26/40/32/851264032.db2.gz QFRFDOMERPDNNX-UTLUCORTSA-N -1 0 371.381 -0.713 20 0 FBADRM CCC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1OC ZINC001342796345 851266363 /nfs/dbraw/zinc/26/63/63/851266363.db2.gz KVGJHQDNIDOBBU-GMTAPVOTSA-N -1 0 355.395 -0.533 20 0 FBADRM CCC[C@H](C)C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1OC ZINC001342796346 851266160 /nfs/dbraw/zinc/26/61/60/851266160.db2.gz KVGJHQDNIDOBBU-HBNTYKKESA-N -1 0 355.395 -0.533 20 0 FBADRM CO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)CCC1CC1 ZINC001342810049 851269076 /nfs/dbraw/zinc/26/90/76/851269076.db2.gz FTTBCWDCHJWWQZ-NXEZZACHSA-N -1 0 351.363 -0.571 20 0 FBADRM COCCOCC(=O)N1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](OC)C1 ZINC001342833651 851271390 /nfs/dbraw/zinc/27/13/90/851271390.db2.gz MJWYYDWGMUSAOU-GHMZBOCLSA-N -1 0 356.379 -0.958 20 0 FBADRM COCCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)C1CCN(OC)CC1 ZINC001342903895 851283081 /nfs/dbraw/zinc/28/30/81/851283081.db2.gz UEFLXDLFBUPUPD-UHFFFAOYSA-N -1 0 351.411 -0.390 20 0 FBADRM COc1cc(C(=O)N2C[C@H](O)C[C@H]2CO)cc([N-]S(C)(=O)=O)c1OC ZINC001342930704 851285447 /nfs/dbraw/zinc/28/54/47/851285447.db2.gz DHFSNAWSTMPVCC-WDEREUQCSA-N -1 0 374.415 -0.357 20 0 FBADRM C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001342950042 851288068 /nfs/dbraw/zinc/28/80/68/851288068.db2.gz FWCHAFMAWCCISS-GMTAPVOTSA-N -1 0 357.436 -0.619 20 0 FBADRM C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001342950043 851288284 /nfs/dbraw/zinc/28/82/84/851288284.db2.gz FWCHAFMAWCCISS-MXWKQRLJSA-N -1 0 357.436 -0.619 20 0 FBADRM C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001342950044 851288619 /nfs/dbraw/zinc/28/86/19/851288619.db2.gz FWCHAFMAWCCISS-OUAUKWLOSA-N -1 0 357.436 -0.619 20 0 FBADRM C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001342950045 851288214 /nfs/dbraw/zinc/28/82/14/851288214.db2.gz FWCHAFMAWCCISS-VWYCJHECSA-N -1 0 357.436 -0.619 20 0 FBADRM CCCC(=O)N1C[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H](OC)C1 ZINC001342973321 851292179 /nfs/dbraw/zinc/29/21/79/851292179.db2.gz MATOZMZVXPOATK-GHMZBOCLSA-N -1 0 353.379 -0.643 20 0 FBADRM CO[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)CC1(C)CC1 ZINC001342986913 851294272 /nfs/dbraw/zinc/29/42/72/851294272.db2.gz YIZNNINUMKHHBH-NXEZZACHSA-N -1 0 353.379 -0.779 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)N2CCSC[C@H]2c2nnn[n-]2)CC1 ZINC001342989009 851293789 /nfs/dbraw/zinc/29/37/89/851293789.db2.gz BYCBYCGLSCTRFW-JTQLQIEISA-N -1 0 360.465 -0.512 20 0 FBADRM CS(=O)(=O)N1CCC(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)CC1 ZINC001342989010 851294292 /nfs/dbraw/zinc/29/42/92/851294292.db2.gz BYCBYCGLSCTRFW-SNVBAGLBSA-N -1 0 360.465 -0.512 20 0 FBADRM CO[C@@H]1CN(C(=O)CSC(C)C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001342999663 851295278 /nfs/dbraw/zinc/29/52/78/851295278.db2.gz QZGZOPQGSMXRGR-RKDXNWHRSA-N -1 0 371.419 -0.620 20 0 FBADRM O=C([O-])[C@H](CCO)NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC001343004173 851294659 /nfs/dbraw/zinc/29/46/59/851294659.db2.gz FWUXBPFHMXODLR-ZDUSSCGKSA-N -1 0 372.399 -0.727 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@@H](CCC(=O)[O-])CN1CCOCC1 ZINC001343004206 851295382 /nfs/dbraw/zinc/29/53/82/851295382.db2.gz GRENLKIOOIRJNI-NEPJUHHUSA-N -1 0 366.436 -0.720 20 0 FBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@H](CCC(=O)[O-])CN1CCOCC1 ZINC001343004207 851295823 /nfs/dbraw/zinc/29/58/23/851295823.db2.gz GRENLKIOOIRJNI-NWDGAFQWSA-N -1 0 366.436 -0.720 20 0 FBADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@@H](CCC(=O)[O-])CN1CCOCC1 ZINC001343004208 851295706 /nfs/dbraw/zinc/29/57/06/851295706.db2.gz GRENLKIOOIRJNI-RYUDHWBXSA-N -1 0 366.436 -0.720 20 0 FBADRM COC(=O)[C@H](C)CS(=O)(=O)N[C@H](CCC(=O)[O-])CN1CCOCC1 ZINC001343004209 851296110 /nfs/dbraw/zinc/29/61/10/851296110.db2.gz GRENLKIOOIRJNI-VXGBXAGGSA-N -1 0 366.436 -0.720 20 0 FBADRM CCn1nccc1S(=O)(=O)N[C@H](CCC(=O)[O-])CN1CCOCC1 ZINC001343004221 851296229 /nfs/dbraw/zinc/29/62/29/851296229.db2.gz HABSHLVOAFFOER-GFCCVEGCSA-N -1 0 360.436 -0.253 20 0 FBADRM CCn1nccc1S(=O)(=O)N[C@@H](CCC(=O)[O-])CN1CCOCC1 ZINC001343004222 851295870 /nfs/dbraw/zinc/29/58/70/851295870.db2.gz HABSHLVOAFFOER-LBPRGKRZSA-N -1 0 360.436 -0.253 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)[O-] ZINC001343004615 851295729 /nfs/dbraw/zinc/29/57/29/851295729.db2.gz KBOZRTBABQGSKX-KOLCDFICSA-N -1 0 361.376 -0.471 20 0 FBADRM COC(=O)CC[C@H](NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(=O)[O-] ZINC001343004616 851295865 /nfs/dbraw/zinc/29/58/65/851295865.db2.gz KBOZRTBABQGSKX-ONGXEEELSA-N -1 0 361.376 -0.471 20 0 FBADRM Cn1cc(C[C@H](CNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-])cn1 ZINC001343004800 851295906 /nfs/dbraw/zinc/29/59/06/851295906.db2.gz LQRAGJXFDLVUSZ-LLVKDONJSA-N -1 0 367.449 -0.983 20 0 FBADRM Cn1cc(C[C@@H](CNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-])cn1 ZINC001343004802 851295814 /nfs/dbraw/zinc/29/58/14/851295814.db2.gz LQRAGJXFDLVUSZ-NSHDSACASA-N -1 0 367.449 -0.983 20 0 FBADRM CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC001343006855 851296334 /nfs/dbraw/zinc/29/63/34/851296334.db2.gz ZQGOLXKPAPDLAF-SECBINFHSA-N -1 0 371.820 -0.392 20 0 FBADRM CCn1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])nc1C ZINC001343009536 851296198 /nfs/dbraw/zinc/29/61/98/851296198.db2.gz ANHPFGHMXYGUDI-SECBINFHSA-N -1 0 351.406 -0.916 20 0 FBADRM CCn1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])nc1C ZINC001343009540 851295959 /nfs/dbraw/zinc/29/59/59/851295959.db2.gz ANHPFGHMXYGUDI-VIFPVBQESA-N -1 0 351.406 -0.916 20 0 FBADRM CCS(=O)(=O)N(C)C1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC001343009544 851295917 /nfs/dbraw/zinc/29/59/17/851295917.db2.gz AQCRFGXUSIBZSS-UHFFFAOYSA-N -1 0 363.465 -0.125 20 0 FBADRM CS(=O)(=O)Cc1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1 ZINC001343009653 851296008 /nfs/dbraw/zinc/29/60/08/851296008.db2.gz CDUKSDPYZQFPPO-UHFFFAOYSA-N -1 0 351.402 -0.701 20 0 FBADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC001343009656 851295833 /nfs/dbraw/zinc/29/58/33/851295833.db2.gz CKZLUJJNFGLWME-KPWVOAKYSA-N -1 0 359.381 -0.437 20 0 FBADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC001343009657 851296160 /nfs/dbraw/zinc/29/61/60/851296160.db2.gz CKZLUJJNFGLWME-RKFFSXRUSA-N -1 0 359.381 -0.437 20 0 FBADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC001343009659 851295894 /nfs/dbraw/zinc/29/58/94/851295894.db2.gz CKZLUJJNFGLWME-SAHAZLINSA-N -1 0 359.381 -0.437 20 0 FBADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC001343009661 851296271 /nfs/dbraw/zinc/29/62/71/851296271.db2.gz CKZLUJJNFGLWME-XFNZEKPQSA-N -1 0 359.381 -0.437 20 0 FBADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cn2c(n1)CCCC2 ZINC001343011281 851297395 /nfs/dbraw/zinc/29/73/95/851297395.db2.gz JESMALKLDOXPFQ-SECBINFHSA-N -1 0 363.417 -0.908 20 0 FBADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cn2c(n1)CCCC2 ZINC001343011283 851297382 /nfs/dbraw/zinc/29/73/82/851297382.db2.gz JESMALKLDOXPFQ-VIFPVBQESA-N -1 0 363.417 -0.908 20 0 FBADRM CS(=O)(=O)CCCS(=O)(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001343013043 851297153 /nfs/dbraw/zinc/29/71/53/851297153.db2.gz PWAZOLGAYBRIBZ-UHFFFAOYSA-N -1 0 368.433 -0.554 20 0 FBADRM Cc1noc2ncc(S(=O)(=O)N3CC[S@](=O)C[C@H]3C(=O)[O-])cc12 ZINC001343015365 851298239 /nfs/dbraw/zinc/29/82/39/851298239.db2.gz ZLXXRQAFBHYHGR-MGUXCZDKSA-N -1 0 359.385 -0.263 20 0 FBADRM Cc1noc2ncc(S(=O)(=O)N3CC[S@@](=O)C[C@H]3C(=O)[O-])cc12 ZINC001343015373 851298732 /nfs/dbraw/zinc/29/87/32/851298732.db2.gz ZLXXRQAFBHYHGR-MLMJSJRWSA-N -1 0 359.385 -0.263 20 0 FBADRM Cc1noc2ncc(S(=O)(=O)N3CC[S@](=O)C[C@@H]3C(=O)[O-])cc12 ZINC001343015374 851298359 /nfs/dbraw/zinc/29/83/59/851298359.db2.gz ZLXXRQAFBHYHGR-STFLBKPXSA-N -1 0 359.385 -0.263 20 0 FBADRM Cc1noc2ncc(S(=O)(=O)N3CC[S@@](=O)C[C@@H]3C(=O)[O-])cc12 ZINC001343015376 851298444 /nfs/dbraw/zinc/29/84/44/851298444.db2.gz ZLXXRQAFBHYHGR-ZQJOYCHOSA-N -1 0 359.385 -0.263 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)CCN3C(=O)CCC3=O)cnc21 ZINC001343033463 851300600 /nfs/dbraw/zinc/30/06/00/851300600.db2.gz YHAISPCEVPIYTN-UHFFFAOYSA-N -1 0 365.371 -0.688 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC001343038679 851300916 /nfs/dbraw/zinc/30/09/16/851300916.db2.gz RHROMCJAUPORMP-ABAIWWIYSA-N -1 0 357.432 -0.021 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC001343038680 851300935 /nfs/dbraw/zinc/30/09/35/851300935.db2.gz RHROMCJAUPORMP-IAQYHMDHSA-N -1 0 357.432 -0.021 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC001343038681 851300447 /nfs/dbraw/zinc/30/04/47/851300447.db2.gz RHROMCJAUPORMP-NHYWBVRUSA-N -1 0 357.432 -0.021 20 0 FBADRM O=C([O-])C(=O)N1CCN(C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC001343038683 851300639 /nfs/dbraw/zinc/30/06/39/851300639.db2.gz RHROMCJAUPORMP-XHDPSFHLSA-N -1 0 357.432 -0.021 20 0 FBADRM CO[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)[C@H](F)C(C)C ZINC001343043350 851300367 /nfs/dbraw/zinc/30/03/67/851300367.db2.gz MTRHNGQUUZAXIL-FXPVBKGRSA-N -1 0 359.358 -0.975 20 0 FBADRM CO[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)[C@@H](F)C(C)C ZINC001343043351 851300894 /nfs/dbraw/zinc/30/08/94/851300894.db2.gz MTRHNGQUUZAXIL-KKZNHRDASA-N -1 0 359.358 -0.975 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)CCCNC(=O)C2CC2)c(C)nn1C ZINC001343068220 851303839 /nfs/dbraw/zinc/30/38/39/851303839.db2.gz NRHYTTAAFOKKQV-UHFFFAOYSA-N -1 0 358.420 -0.152 20 0 FBADRM NC(=O)NCCCCC(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC001343071672 851304024 /nfs/dbraw/zinc/30/40/24/851304024.db2.gz WXRPLFIKCDXEMZ-UHFFFAOYSA-N -1 0 353.351 -0.208 20 0 FBADRM CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)[N-]OCCOCC)cc1 ZINC001343120771 851310639 /nfs/dbraw/zinc/31/06/39/851310639.db2.gz HSRFFYRSRVCMFT-UHFFFAOYSA-N -1 0 373.431 -0.315 20 0 FBADRM CC(C)(F)C(=O)N[C@@H]1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C[C@@H]1O ZINC001343134196 851313380 /nfs/dbraw/zinc/31/33/80/851313380.db2.gz UZVMBGIUZJPZQJ-SFYZADRCSA-N -1 0 371.331 -0.121 20 0 FBADRM CCCC(=O)N[C@@H]1CN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C[C@@H]1O ZINC001343141708 851315055 /nfs/dbraw/zinc/31/50/55/851315055.db2.gz SOIUXXIEYGVZEW-KGLIPLIRSA-N -1 0 352.435 -0.137 20 0 FBADRM CC(C)CCC(=O)N[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1O ZINC001343170781 851320821 /nfs/dbraw/zinc/32/08/21/851320821.db2.gz WVFLHUPNDNVRAM-NEPJUHHUSA-N -1 0 352.391 -0.776 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)[C@H](C)OCC(C)C)[C@@H](O)C2)c1[O-] ZINC001343216226 851328151 /nfs/dbraw/zinc/32/81/51/851328151.db2.gz LKXVUPOLVYSWLK-TUAOUCFPSA-N -1 0 354.407 -0.214 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)[C@@H](C)OCC(C)C)[C@@H](O)C2)c1[O-] ZINC001343216227 851329434 /nfs/dbraw/zinc/32/94/34/851329434.db2.gz LKXVUPOLVYSWLK-UTUOFQBUSA-N -1 0 354.407 -0.214 20 0 FBADRM CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C[C@@H]1O ZINC001343217474 851329148 /nfs/dbraw/zinc/32/91/48/851329148.db2.gz VJEWPNOKTANHPD-HLTSFMKQSA-N -1 0 369.340 -0.834 20 0 FBADRM CO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C[C@@H]1O ZINC001343217476 851329273 /nfs/dbraw/zinc/32/92/73/851329273.db2.gz VJEWPNOKTANHPD-YIZRAAEISA-N -1 0 369.340 -0.834 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)CC[C@H]3CCOC3)[C@@H](O)C2)c1[O-] ZINC001343285134 851340672 /nfs/dbraw/zinc/34/06/72/851340672.db2.gz HPXBVAVJXTVTTK-TUAOUCFPSA-N -1 0 352.391 -0.458 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)CC[C@@H]3CCOC3)[C@@H](O)C2)c1[O-] ZINC001343285200 851340998 /nfs/dbraw/zinc/34/09/98/851340998.db2.gz HPXBVAVJXTVTTK-UTUOFQBUSA-N -1 0 352.391 -0.458 20 0 FBADRM O=C([O-])[C@@H]1Cn2cnnc2CN1S(=O)(=O)c1cccc2c1COC2=O ZINC001343363674 851357911 /nfs/dbraw/zinc/35/79/11/851357911.db2.gz IKXHLIFZHOSJEQ-JTQLQIEISA-N -1 0 364.339 -0.394 20 0 FBADRM O=C([O-])[C@H]1Cn2cnnc2CN1S(=O)(=O)c1cccc2c1COC2=O ZINC001343363677 851357404 /nfs/dbraw/zinc/35/74/04/851357404.db2.gz IKXHLIFZHOSJEQ-SNVBAGLBSA-N -1 0 364.339 -0.394 20 0 FBADRM CO[C@H](C)C(=O)N1C[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@@H](O)C1 ZINC001343424057 851370744 /nfs/dbraw/zinc/37/07/44/851370744.db2.gz BZFBBYLFXHVNRC-HLTSFMKQSA-N -1 0 369.340 -0.834 20 0 FBADRM CO[C@@H](C)C(=O)N1C[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@@H](O)C1 ZINC001343424063 851370812 /nfs/dbraw/zinc/37/08/12/851370812.db2.gz BZFBBYLFXHVNRC-YIZRAAEISA-N -1 0 369.340 -0.834 20 0 FBADRM CC(C)NS(=O)(=O)NCCNC(=O)C(=O)[N-]OCc1ccccc1 ZINC001343450920 851377199 /nfs/dbraw/zinc/37/71/99/851377199.db2.gz GVXIUGOHHUCNHI-UHFFFAOYSA-N -1 0 358.420 -0.817 20 0 FBADRM CCS(=O)(=O)c1ccc(CNC(=O)C(=O)[N-]OCCOC)s1 ZINC001343470221 851382276 /nfs/dbraw/zinc/38/22/76/851382276.db2.gz IZVACWTUWGJXRU-UHFFFAOYSA-N -1 0 350.418 -0.148 20 0 FBADRM O=C(c1cccc(Cl)c1)N1CC(S(=O)(=O)NCc2nc(=O)o[n-]2)C1 ZINC001343483376 851384118 /nfs/dbraw/zinc/38/41/18/851384118.db2.gz FOIUFNSZWHFLPY-UHFFFAOYSA-N -1 0 372.790 -0.040 20 0 FBADRM CC(=O)N1CCc2ccc(S(=O)(=O)NCc3nc(=O)o[n-]3)cc2CC1 ZINC001343484514 851384387 /nfs/dbraw/zinc/38/43/87/851384387.db2.gz MSIAIZUZOPNDJF-UHFFFAOYSA-N -1 0 366.399 -0.212 20 0 FBADRM O=C1Cc2cc(S(=O)(=O)NCc3nc(=O)o[n-]3)cc3c2N1CCC3 ZINC001343485166 851384330 /nfs/dbraw/zinc/38/43/30/851384330.db2.gz QCPZOEGYBFBRPR-UHFFFAOYSA-N -1 0 350.356 -0.323 20 0 FBADRM CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]N1CCCNC1=O ZINC001343497110 851386516 /nfs/dbraw/zinc/38/65/16/851386516.db2.gz VJEDMYVFVDGCLF-UHFFFAOYSA-N -1 0 362.433 -0.407 20 0 FBADRM COCC[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)C(=O)OC ZINC001343504374 851387644 /nfs/dbraw/zinc/38/76/44/851387644.db2.gz VAYMNXUCBOYLPH-SSDOTTSWSA-N -1 0 352.390 -0.214 20 0 FBADRM COCC[C@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)C(=O)OC ZINC001343504375 851387280 /nfs/dbraw/zinc/38/72/80/851387280.db2.gz VAYMNXUCBOYLPH-ZETCQYMHSA-N -1 0 352.390 -0.214 20 0 FBADRM Cn1nnc2c1C[C@H](C(=O)[N-]S(=O)(=O)c1cnc3n1CCC3)CC2 ZINC001343534865 851393753 /nfs/dbraw/zinc/39/37/53/851393753.db2.gz REYVOVWWDUAYDX-SECBINFHSA-N -1 0 350.404 -0.432 20 0 FBADRM Cn1nnc2c1C[C@@H](C(=O)[N-]S(=O)(=O)c1cnc3n1CCC3)CC2 ZINC001343534867 851394198 /nfs/dbraw/zinc/39/41/98/851394198.db2.gz REYVOVWWDUAYDX-VIFPVBQESA-N -1 0 350.404 -0.432 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cn(C2CCOCC2)nn1 ZINC001343535926 851394306 /nfs/dbraw/zinc/39/43/06/851394306.db2.gz ZJRLJPUWDKBAAT-UHFFFAOYSA-N -1 0 354.392 -0.210 20 0 FBADRM Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)COc3ccsc3)[C@@H](O)C2)c1[O-] ZINC001343574607 851401565 /nfs/dbraw/zinc/40/15/65/851401565.db2.gz FIARNDXJNDJDHD-MNOVXSKESA-N -1 0 366.399 -0.134 20 0 FBADRM CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2ccc(OC)nc2)n1 ZINC001343672297 851417279 /nfs/dbraw/zinc/41/72/79/851417279.db2.gz DRJZFYGWWIIQDS-UHFFFAOYSA-N -1 0 350.356 -0.037 20 0 FBADRM CN1C(=O)NC2(CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC2)C1=O ZINC001343688968 851420429 /nfs/dbraw/zinc/42/04/29/851420429.db2.gz ULGWWGPCGQSRGT-UHFFFAOYSA-N -1 0 364.324 -0.014 20 0 FBADRM O=C(NCc1nnn[n-]1)C1(S(=O)(=O)c2ccccc2)CCOCC1 ZINC001343707655 851424184 /nfs/dbraw/zinc/42/41/84/851424184.db2.gz LIZGNKHGBGRULP-UHFFFAOYSA-N -1 0 351.388 -0.161 20 0 FBADRM Cn1cc(/C=C\C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)c(=O)n(C)c1=O ZINC001343713299 851424235 /nfs/dbraw/zinc/42/42/35/851424235.db2.gz TVPPSQGRFMTPMI-ANCZFUFASA-N -1 0 351.359 -0.907 20 0 FBADRM Cn1cc(/C=C\C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)c(=O)n(C)c1=O ZINC001343713303 851423967 /nfs/dbraw/zinc/42/39/67/851423967.db2.gz TVPPSQGRFMTPMI-DSAOOCMMSA-N -1 0 351.359 -0.907 20 0 FBADRM Cn1cc(/C=C/C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)c(=O)n(C)c1=O ZINC001343713306 851423936 /nfs/dbraw/zinc/42/39/36/851423936.db2.gz TVPPSQGRFMTPMI-ILBNWAPMSA-N -1 0 351.359 -0.907 20 0 FBADRM Cn1cc(/C=C/C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)c(=O)n(C)c1=O ZINC001343713309 851424109 /nfs/dbraw/zinc/42/41/09/851424109.db2.gz TVPPSQGRFMTPMI-QJSMKMSWSA-N -1 0 351.359 -0.907 20 0 FBADRM CCO[C@@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001343794062 851436075 /nfs/dbraw/zinc/43/60/75/851436075.db2.gz URSHDIBZCRGRQJ-IVZWLZJFSA-N -1 0 351.363 -0.619 20 0 FBADRM CCO[C@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001343794063 851436378 /nfs/dbraw/zinc/43/63/78/851436378.db2.gz URSHDIBZCRGRQJ-OPRDCNLKSA-N -1 0 351.363 -0.619 20 0 FBADRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cnn3c2OCCC3)cc1 ZINC001343796408 851436329 /nfs/dbraw/zinc/43/63/29/851436329.db2.gz HIKWIRRACZCFPF-UHFFFAOYSA-N -1 0 350.356 -0.117 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2cn(C3CCOCC3)nn2)cnn1C ZINC001343797123 851437308 /nfs/dbraw/zinc/43/73/08/851437308.db2.gz OMIOELWCPPJOOH-UHFFFAOYSA-N -1 0 354.392 -0.210 20 0 FBADRM Cc1cc(Cn2nnc(C(=O)[N-]S(=O)(=O)c3ccnn3C)c2C)on1 ZINC001343797427 851437947 /nfs/dbraw/zinc/43/79/47/851437947.db2.gz QSCKQKFTBGYWPJ-UHFFFAOYSA-N -1 0 365.375 -0.217 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2c3ccccc3nn2C)CC1 ZINC001343797765 851437760 /nfs/dbraw/zinc/43/77/60/851437760.db2.gz WIWVARNNUVINEN-UHFFFAOYSA-N -1 0 365.415 -0.288 20 0 FBADRM CCOCCC(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001343811804 851438389 /nfs/dbraw/zinc/43/83/89/851438389.db2.gz KGQKGMFICYAJMX-GHMZBOCLSA-N -1 0 353.379 -0.825 20 0 FBADRM COC[C@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001343812102 851438615 /nfs/dbraw/zinc/43/86/15/851438615.db2.gz REFKEQHTTUXCBF-IVZWLZJFSA-N -1 0 351.363 -0.762 20 0 FBADRM COC[C@@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001343812103 851438591 /nfs/dbraw/zinc/43/85/91/851438591.db2.gz REFKEQHTTUXCBF-OPRDCNLKSA-N -1 0 351.363 -0.762 20 0 FBADRM O=C([N-]S(=O)(=O)C1CCOCC1)c1ccc2c(c1)NC(=O)CNC2=O ZINC001343950050 851454818 /nfs/dbraw/zinc/45/48/18/851454818.db2.gz MQROMIKOCOKEBD-UHFFFAOYSA-N -1 0 367.383 -0.393 20 0 FBADRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC001343959952 851455208 /nfs/dbraw/zinc/45/52/08/851455208.db2.gz DVLPSOWFJFJURG-JTQLQIEISA-N -1 0 356.404 -0.271 20 0 FBADRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC001343959953 851456460 /nfs/dbraw/zinc/45/64/60/851456460.db2.gz DVLPSOWFJFJURG-SNVBAGLBSA-N -1 0 356.404 -0.271 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)[N-]C(=O)COCc1nncn1C ZINC001343960364 851456028 /nfs/dbraw/zinc/45/60/28/851456028.db2.gz HPMNQTRIFKRBEE-UHFFFAOYSA-N -1 0 359.433 -0.215 20 0 FBADRM Cn1c2ncn(CCC(=O)[N-]S(=O)(=O)C(C)(C)C)c2c(=O)n(C)c1=O ZINC001343960732 851455930 /nfs/dbraw/zinc/45/59/30/851455930.db2.gz IDTBNIHNGZVHBG-UHFFFAOYSA-N -1 0 371.419 -0.932 20 0 FBADRM CC(C)(C)S(=O)(=O)[N-]C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC001343961797 851456433 /nfs/dbraw/zinc/45/64/33/851456433.db2.gz PQJYMRQRMSNDEF-UHFFFAOYSA-N -1 0 367.435 -0.020 20 0 FBADRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)c1ccccc1NC(=O)C1CC1 ZINC001343962129 851456193 /nfs/dbraw/zinc/45/61/93/851456193.db2.gz SHUFJAHEEVABFG-UHFFFAOYSA-N -1 0 360.413 -0.115 20 0 FBADRM O=C(CCn1ccccc1=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC001343962286 851455953 /nfs/dbraw/zinc/45/59/53/851455953.db2.gz UIBPHCHJNGTBPM-UHFFFAOYSA-N -1 0 352.372 -0.278 20 0 FBADRM COc1cc(OC)cc(S(=O)(=O)[N-]C(=O)COCc2nncn2C)c1 ZINC001343962671 851456244 /nfs/dbraw/zinc/45/62/44/851456244.db2.gz ZBCIZONTBRZHPF-UHFFFAOYSA-N -1 0 370.387 -0.146 20 0 FBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001343962751 851456174 /nfs/dbraw/zinc/45/61/74/851456174.db2.gz ZAKSMBVBECEHRB-LLVKDONJSA-N -1 0 358.420 -0.044 20 0 FBADRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001343962752 851456159 /nfs/dbraw/zinc/45/61/59/851456159.db2.gz ZAKSMBVBECEHRB-NSHDSACASA-N -1 0 358.420 -0.044 20 0 FBADRM CNS(=O)(=O)c1cccc(CNC(=O)c2c[n-]n3c2nccc3=O)c1 ZINC001343983695 851457246 /nfs/dbraw/zinc/45/72/46/851457246.db2.gz SGNOFJQFUSBPJV-UHFFFAOYSA-N -1 0 361.383 -0.139 20 0 FBADRM CCOCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC001344015378 851460192 /nfs/dbraw/zinc/46/01/92/851460192.db2.gz UUOKRPHEMUYJBD-VXGBXAGGSA-N -1 0 352.391 -0.320 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1ccc(S(=O)(=O)CCOC)cc1 ZINC001344083796 851466084 /nfs/dbraw/zinc/46/60/84/851466084.db2.gz NCWIQPJKAIESAX-UHFFFAOYSA-N -1 0 360.388 -0.261 20 0 FBADRM CCS(=O)(=O)N[C@H](CCSC)C(=O)NCCc1nc(=O)o[n-]1 ZINC001344090554 851467643 /nfs/dbraw/zinc/46/76/43/851467643.db2.gz WETUATKUUQIWKN-MRVPVSSYSA-N -1 0 352.438 -0.917 20 0 FBADRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCCc1nc(=O)o[n-]1 ZINC001344090555 851467538 /nfs/dbraw/zinc/46/75/38/851467538.db2.gz WETUATKUUQIWKN-QMMMGPOBSA-N -1 0 352.438 -0.917 20 0 FBADRM CCCOCC(=O)NC[C@H]1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001344252399 851475878 /nfs/dbraw/zinc/47/58/78/851475878.db2.gz LWAWVVSKDXBOSA-WDEREUQCSA-N -1 0 355.395 -0.483 20 0 FBADRM COCC(=O)N[C@@H]1CC[C@H](CNC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001344288229 851480861 /nfs/dbraw/zinc/48/08/61/851480861.db2.gz JEJRSFWXUAHYML-WDEREUQCSA-N -1 0 355.395 -0.483 20 0 FBADRM CC[C@H](OC)C(=O)N[C@@H]1CC[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001344303135 851481967 /nfs/dbraw/zinc/48/19/67/851481967.db2.gz NYRPXBHQMKSKQZ-AXFHLTTASA-N -1 0 355.395 -0.485 20 0 FBADRM CC[C@@H](OC)C(=O)N[C@@H]1CC[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001344303136 851481841 /nfs/dbraw/zinc/48/18/41/851481841.db2.gz NYRPXBHQMKSKQZ-HBNTYKKESA-N -1 0 355.395 -0.485 20 0 FBADRM CCO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1CNC(=O)CSC ZINC001344418804 851493995 /nfs/dbraw/zinc/49/39/95/851493995.db2.gz HIKQTQIKJWNXSI-RKDXNWHRSA-N -1 0 371.419 -0.761 20 0 FBADRM O=C(Cn1nc2n(c1=O)CCCCC2)[N-]S(=O)(=O)c1ccc(F)cn1 ZINC001344460005 851499715 /nfs/dbraw/zinc/49/97/15/851499715.db2.gz FUFBCAHORGNPQQ-UHFFFAOYSA-N -1 0 369.378 -0.190 20 0 FBADRM CN(CC(=O)N1CCC(O)(c2nnn[n-]2)CC1)C(=O)c1cccs1 ZINC001344499075 851501323 /nfs/dbraw/zinc/50/13/23/851501323.db2.gz JWERXLJWTUDEIY-UHFFFAOYSA-N -1 0 350.404 -0.157 20 0 FBADRM CN(C1CCN(c2nnc(-c3cc(=O)n(C)[n-]3)n2C)CC1)S(C)(=O)=O ZINC001344543449 851506182 /nfs/dbraw/zinc/50/61/82/851506182.db2.gz IHZBQNNJCBMOJB-UHFFFAOYSA-N -1 0 369.451 -0.219 20 0 FBADRM CC(=O)OC[C@H](CO)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC001344581265 851508309 /nfs/dbraw/zinc/50/83/09/851508309.db2.gz SXCVEXNYHMVNKP-JTQLQIEISA-N -1 0 351.384 -0.275 20 0 FBADRM CC(=O)OC[C@@H](CO)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC001344581266 851508637 /nfs/dbraw/zinc/50/86/37/851508637.db2.gz SXCVEXNYHMVNKP-SNVBAGLBSA-N -1 0 351.384 -0.275 20 0 FBADRM CSCc1noc(CCC(=O)NCCC(=O)[N-]S(C)(=O)=O)n1 ZINC001344606867 851510399 /nfs/dbraw/zinc/51/03/99/851510399.db2.gz ICCZPXFIODHZAG-UHFFFAOYSA-N -1 0 350.422 -0.553 20 0 FBADRM Cn1ncc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1Br ZINC001344607502 851510241 /nfs/dbraw/zinc/51/02/41/851510241.db2.gz OOLNUDNKVACSQR-UHFFFAOYSA-N -1 0 353.198 -0.622 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)NCc1nc(CNC(=O)COC)cc(=O)[nH]1 ZINC001344649443 851512976 /nfs/dbraw/zinc/51/29/76/851512976.db2.gz HBLQQBYHIXNCHP-BMIGLBTASA-N -1 0 352.391 -0.124 20 0 FBADRM CSCC(=O)NCc1cc(=O)[nH]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001344649447 851512911 /nfs/dbraw/zinc/51/29/11/851512911.db2.gz HDQDRYDTQNAHQT-VFZGTOFNSA-N -1 0 352.416 -0.186 20 0 FBADRM CO[C@H](C)C(=O)NCc1cc(=O)[nH]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001344650527 851513594 /nfs/dbraw/zinc/51/35/94/851513594.db2.gz OTEPEDUHGLWAOM-LSYCYVAJSA-N -1 0 350.375 -0.514 20 0 FBADRM CO[C@@H](C)C(=O)NCc1cc(=O)[nH]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001344650528 851513572 /nfs/dbraw/zinc/51/35/72/851513572.db2.gz OTEPEDUHGLWAOM-PUTJDCORSA-N -1 0 350.375 -0.514 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)COC)CCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001344712297 851516002 /nfs/dbraw/zinc/51/60/02/851516002.db2.gz LZKSITGTUYIQHL-WDEREUQCSA-N -1 0 355.395 -0.388 20 0 FBADRM CS(=O)(=O)CC1(CC(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)CC1 ZINC001344718699 851515865 /nfs/dbraw/zinc/51/58/65/851515865.db2.gz RGMORVBPDDEDGW-UHFFFAOYSA-N -1 0 361.445 -0.151 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCC(O)(C(N)=O)CC1 ZINC001344741839 851517992 /nfs/dbraw/zinc/51/79/92/851517992.db2.gz ZJVDBYVPQGODAE-UHFFFAOYSA-N -1 0 359.379 -0.350 20 0 FBADRM CO[N-]C(=O)Cn1nnnc1N1CCN(c2c(F)cccc2F)CC1 ZINC001344754334 851519783 /nfs/dbraw/zinc/51/97/83/851519783.db2.gz ASWRPYCDLADQBJ-UHFFFAOYSA-N -1 0 353.333 -0.045 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)C[C@H](C)OC)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001344757431 851520825 /nfs/dbraw/zinc/52/08/25/851520825.db2.gz XRBWUBKUQHHXCH-GARJFASQSA-N -1 0 355.395 -0.390 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)C[C@@H](C)OC)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001344757487 851520692 /nfs/dbraw/zinc/52/06/92/851520692.db2.gz XRBWUBKUQHHXCH-OUAUKWLOSA-N -1 0 355.395 -0.390 20 0 FBADRM C[C@@H](NC(=O)C(=O)[N-]OC[C@@H]1CCOC1)c1cccc(S(N)(=O)=O)c1 ZINC001344867539 851534279 /nfs/dbraw/zinc/53/42/79/851534279.db2.gz YYOGYQIAUHBOSA-GHMZBOCLSA-N -1 0 371.415 -0.405 20 0 FBADRM C[C@@H](NC(=O)C(=O)[N-]OC[C@H]1CCOC1)c1cccc(S(N)(=O)=O)c1 ZINC001344867540 851534091 /nfs/dbraw/zinc/53/40/91/851534091.db2.gz YYOGYQIAUHBOSA-MNOVXSKESA-N -1 0 371.415 -0.405 20 0 FBADRM C[C@H](NC(=O)C(=O)[N-]OC[C@H]1CCOC1)c1cccc(S(N)(=O)=O)c1 ZINC001344867541 851534200 /nfs/dbraw/zinc/53/42/00/851534200.db2.gz YYOGYQIAUHBOSA-QWRGUYRKSA-N -1 0 371.415 -0.405 20 0 FBADRM C[C@H](NC(=O)C(=O)[N-]OC[C@@H]1CCOC1)c1cccc(S(N)(=O)=O)c1 ZINC001344867542 851533726 /nfs/dbraw/zinc/53/37/26/851533726.db2.gz YYOGYQIAUHBOSA-WDEREUQCSA-N -1 0 371.415 -0.405 20 0 FBADRM CCn1[n-]cc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2C)c1=O ZINC001344881562 851535034 /nfs/dbraw/zinc/53/50/34/851535034.db2.gz JJMFYOJBOKLFIE-UHFFFAOYSA-N -1 0 369.451 -0.078 20 0 FBADRM CCCOCC(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1CC ZINC001344883635 851535016 /nfs/dbraw/zinc/53/50/16/851535016.db2.gz IMVMVTWNIQOMBP-VHSXEESVSA-N -1 0 353.379 -0.181 20 0 FBADRM CCOCCC(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1CC ZINC001344893854 851535964 /nfs/dbraw/zinc/53/59/64/851535964.db2.gz FUNFJKCPTHSCJF-WDEREUQCSA-N -1 0 355.395 -0.388 20 0 FBADRM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)CCCOC ZINC001344895201 851536489 /nfs/dbraw/zinc/53/64/89/851536489.db2.gz SCVLNQUDFDYMLF-WDEREUQCSA-N -1 0 355.395 -0.388 20 0 FBADRM CCS(=O)(=O)NC1CCN(c2nnc(-c3cc(=O)n(C)[n-]3)n2C)CC1 ZINC001344965774 851544089 /nfs/dbraw/zinc/54/40/89/851544089.db2.gz MKCKNIJTSWHZSJ-UHFFFAOYSA-N -1 0 369.451 -0.171 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)C(=O)[N-]OCCC(F)(F)F)CC1 ZINC001345009415 851546617 /nfs/dbraw/zinc/54/66/17/851546617.db2.gz AEPFLZOBCMIJJC-UHFFFAOYSA-N -1 0 354.329 -0.733 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2nnc3n2CCOCC3)cn1 ZINC001345065592 851554706 /nfs/dbraw/zinc/55/47/06/851554706.db2.gz GMQGFTHODCISIE-UHFFFAOYSA-N -1 0 367.387 -0.026 20 0 FBADRM CCn1[n-]cc(-c2nnc(N3CCC[C@H](NS(C)(=O)=O)C3)n2C)c1=O ZINC001345095784 851556347 /nfs/dbraw/zinc/55/63/47/851556347.db2.gz KRRLGPSMPWJWRM-JTQLQIEISA-N -1 0 369.451 -0.078 20 0 FBADRM CCn1[n-]cc(-c2nnc(N3CCC[C@@H](NS(C)(=O)=O)C3)n2C)c1=O ZINC001345095786 851556247 /nfs/dbraw/zinc/55/62/47/851556247.db2.gz KRRLGPSMPWJWRM-SNVBAGLBSA-N -1 0 369.451 -0.078 20 0 FBADRM O=C([N-]OC1CCOCC1)C(=O)NCCS(=O)(=O)c1ccccc1 ZINC001345112725 851557838 /nfs/dbraw/zinc/55/78/38/851557838.db2.gz WWEYOVWCRTVVMI-UHFFFAOYSA-N -1 0 356.400 -0.197 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)CCOC1 ZINC001345121264 851559556 /nfs/dbraw/zinc/55/95/56/851559556.db2.gz KVEVOSOBGBPHID-SZOQZIPDSA-N -1 0 354.403 -0.574 20 0 FBADRM O=C([O-])[C@]1(N2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)CCOC1 ZINC001345121267 851560232 /nfs/dbraw/zinc/56/02/32/851560232.db2.gz KVEVOSOBGBPHID-ZJOBFFGXSA-N -1 0 354.403 -0.574 20 0 FBADRM CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCO[C@@H](C(=O)[O-])C1 ZINC001345134900 851559798 /nfs/dbraw/zinc/55/97/98/851559798.db2.gz BDFUCISHZKKFRG-SECBINFHSA-N -1 0 355.313 -0.749 20 0 FBADRM CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCO[C@H](C(=O)[O-])C1 ZINC001345134901 851559818 /nfs/dbraw/zinc/55/98/18/851559818.db2.gz BDFUCISHZKKFRG-VIFPVBQESA-N -1 0 355.313 -0.749 20 0 FBADRM CN(C)C(=O)CCNC(=O)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC001345169707 851563212 /nfs/dbraw/zinc/56/32/12/851563212.db2.gz KCIPQWACFLMJHL-UHFFFAOYSA-N -1 0 365.415 -0.050 20 0 FBADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCc2ccc(Br)o2)CCO1 ZINC001345205630 851565496 /nfs/dbraw/zinc/56/54/96/851565496.db2.gz WJUYEMAJCRAIHM-MRVPVSSYSA-N -1 0 361.148 -0.030 20 0 FBADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2ccc(Br)o2)CCO1 ZINC001345205631 851565413 /nfs/dbraw/zinc/56/54/13/851565413.db2.gz WJUYEMAJCRAIHM-QMMMGPOBSA-N -1 0 361.148 -0.030 20 0 FBADRM CC(=O)CCCC(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001345237882 851568921 /nfs/dbraw/zinc/56/89/21/851568921.db2.gz MWNYSARYUAZRQT-MNOVXSKESA-N -1 0 353.379 -0.446 20 0 FBADRM COc1c(S(=O)(=O)[N-]C(=O)COCc2ccnn2C)c(C)nn1C ZINC001345239625 851570109 /nfs/dbraw/zinc/57/01/09/851570109.db2.gz WKCNKGYCZBZVGB-UHFFFAOYSA-N -1 0 357.392 -0.508 20 0 FBADRM CCOCCO[N-]C(=O)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC001345241427 851569981 /nfs/dbraw/zinc/56/99/81/851569981.db2.gz KKHASHZAFCQKNV-UHFFFAOYSA-N -1 0 373.431 -0.363 20 0 FBADRM CO[C@H](C)C(=O)N[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001345258579 851571979 /nfs/dbraw/zinc/57/19/79/851571979.db2.gz WGIWQIJEHYPHNR-BBBLOLIVSA-N -1 0 353.379 -0.644 20 0 FBADRM CO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001345258580 851572033 /nfs/dbraw/zinc/57/20/33/851572033.db2.gz WGIWQIJEHYPHNR-UTLUCORTSA-N -1 0 353.379 -0.644 20 0 FBADRM CCO[C@H](CC)C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001345259325 851572300 /nfs/dbraw/zinc/57/23/00/851572300.db2.gz UQYHMPYAEWAAJF-KXUCPTDWSA-N -1 0 353.379 -0.183 20 0 FBADRM CCO[C@@H](CC)C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC001345259326 851572187 /nfs/dbraw/zinc/57/21/87/851572187.db2.gz UQYHMPYAEWAAJF-UTLUCORTSA-N -1 0 353.379 -0.183 20 0 FBADRM CN1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC001345298224 851575767 /nfs/dbraw/zinc/57/57/67/851575767.db2.gz FZDALZVLKPKTLA-GFCCVEGCSA-N -1 0 355.416 -0.127 20 0 FBADRM CN1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC001345298226 851575273 /nfs/dbraw/zinc/57/52/73/851575273.db2.gz FZDALZVLKPKTLA-LBPRGKRZSA-N -1 0 355.416 -0.127 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC001345334421 851579676 /nfs/dbraw/zinc/57/96/76/851579676.db2.gz NUWQCDQZOSDCIE-UHFFFAOYSA-N -1 0 351.384 -0.190 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1 ZINC001345339421 851581110 /nfs/dbraw/zinc/58/11/10/851581110.db2.gz LXOVINPDNMDAPF-UHFFFAOYSA-N -1 0 373.431 -0.316 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CCN1C(=O)C(N)=O ZINC001345387913 851585900 /nfs/dbraw/zinc/58/59/00/851585900.db2.gz VKJNFRULPHFYLQ-RQJHMYQMSA-N -1 0 352.313 -0.966 20 0 FBADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)CC2OCCO2)s1 ZINC001345426791 851590115 /nfs/dbraw/zinc/59/01/15/851590115.db2.gz LMIGYGYOOJXPRD-UHFFFAOYSA-N -1 0 362.429 -0.005 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC001345428032 851590517 /nfs/dbraw/zinc/59/05/17/851590517.db2.gz SNYKWKINGXYFNU-JTQLQIEISA-N -1 0 357.450 -0.549 20 0 FBADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC001345428034 851589918 /nfs/dbraw/zinc/58/99/18/851589918.db2.gz SNYKWKINGXYFNU-SNVBAGLBSA-N -1 0 357.450 -0.549 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)Cc1cnn(C)c1 ZINC001345432484 851591804 /nfs/dbraw/zinc/59/18/04/851591804.db2.gz IQELXUHZHPIJAR-UHFFFAOYSA-N -1 0 352.372 -0.425 20 0 FBADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)C1(OC)CCOCC1 ZINC001345432486 851591777 /nfs/dbraw/zinc/59/17/77/851591777.db2.gz IQYMDMHGBFWXIC-UHFFFAOYSA-N -1 0 372.399 -0.205 20 0 FBADRM CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)C[C@H]1COC(=O)C1 ZINC001345433794 851591540 /nfs/dbraw/zinc/59/15/40/851591540.db2.gz RXFHNPJUKAAGCG-SECBINFHSA-N -1 0 350.393 -0.090 20 0 FBADRM CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)C[C@@H]1COC(=O)C1 ZINC001345433795 851591568 /nfs/dbraw/zinc/59/15/68/851591568.db2.gz RXFHNPJUKAAGCG-VIFPVBQESA-N -1 0 350.393 -0.090 20 0 FBADRM CCOCC(=O)N1CC[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001345448104 851591066 /nfs/dbraw/zinc/59/10/66/851591066.db2.gz PISHVFGKRSEKRY-MNOVXSKESA-N -1 0 355.395 -0.388 20 0 FBADRM O=C([N-]OC[C@H]1CCOC1)C(=O)NCCS(=O)(=O)Cc1ccccc1 ZINC001345452412 851592849 /nfs/dbraw/zinc/59/28/49/851592849.db2.gz WHFFJTAARKCYIU-AWEZNQCLSA-N -1 0 370.427 -0.198 20 0 FBADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NCCS(=O)(=O)Cc1ccccc1 ZINC001345452415 851592327 /nfs/dbraw/zinc/59/23/27/851592327.db2.gz WHFFJTAARKCYIU-CQSZACIVSA-N -1 0 370.427 -0.198 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccccc1S(C)(=O)=O ZINC001345463307 851593684 /nfs/dbraw/zinc/59/36/84/851593684.db2.gz LXNXWBOKOUEWCQ-UHFFFAOYSA-N -1 0 362.429 -0.785 20 0 FBADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)CCS(C)(=O)=O)[C@H]2C)c1[O-] ZINC001345469032 851595842 /nfs/dbraw/zinc/59/58/42/851595842.db2.gz ULMTXWUBSBOPJE-ZJUUUORDSA-N -1 0 358.420 -0.422 20 0 FBADRM COCC1(C(=O)N[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C)CC1 ZINC001345490489 851598949 /nfs/dbraw/zinc/59/89/49/851598949.db2.gz MJPRJSCHXARIGN-BDAKNGLRSA-N -1 0 351.363 -0.571 20 0 FBADRM CCOCCCC(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001345511010 851601911 /nfs/dbraw/zinc/60/19/11/851601911.db2.gz FKZFBENXYPGWAL-ZJUUUORDSA-N -1 0 353.379 -0.181 20 0 FBADRM COCCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CCO[C@@H](COC)C1 ZINC001345514214 851602939 /nfs/dbraw/zinc/60/29/39/851602939.db2.gz WKTZGBXSMIQQGD-LLVKDONJSA-N -1 0 352.395 -0.118 20 0 FBADRM COCCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CCO[C@H](COC)C1 ZINC001345514414 851602992 /nfs/dbraw/zinc/60/29/92/851602992.db2.gz WKTZGBXSMIQQGD-NSHDSACASA-N -1 0 352.395 -0.118 20 0 FBADRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)COC(C)(C)C ZINC001345532288 851604964 /nfs/dbraw/zinc/60/49/64/851604964.db2.gz VHQANJKWBUSJGZ-ZJUUUORDSA-N -1 0 355.395 -0.390 20 0 FBADRM COc1ccccc1CO[N-]C(=O)C(=O)NCCS(=O)(=O)NC(C)C ZINC001345553867 851605794 /nfs/dbraw/zinc/60/57/94/851605794.db2.gz NGMTUEDVEGEDBT-UHFFFAOYSA-N -1 0 373.431 -0.313 20 0 FBADRM C[C@H](C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C)C(F)(F)F ZINC001345555131 851606970 /nfs/dbraw/zinc/60/69/70/851606970.db2.gz SOVOLIPEQNHPRK-PRJMDXOYSA-N -1 0 365.312 -0.007 20 0 FBADRM C[C@@H](C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C)C(F)(F)F ZINC001345555134 851607301 /nfs/dbraw/zinc/60/73/01/851607301.db2.gz SOVOLIPEQNHPRK-RNJXMRFFSA-N -1 0 365.312 -0.007 20 0 FBADRM O=C([N-]OC1CCCCC1)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001345584737 851609604 /nfs/dbraw/zinc/60/96/04/851609604.db2.gz WTNZRFQJOAPZLY-UHFFFAOYSA-N -1 0 363.436 -0.855 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N1CCC(OCC(N)=O)CC1)C(=O)[O-] ZINC001345595788 851610602 /nfs/dbraw/zinc/61/06/02/851610602.db2.gz NUMJJBKVOWMQRC-UHFFFAOYSA-N -1 0 357.407 -0.514 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1)C(=O)[O-] ZINC001345597105 851610527 /nfs/dbraw/zinc/61/05/27/851610527.db2.gz WFLYJVFSSWTICR-CYBMUJFWSA-N -1 0 355.435 -0.073 20 0 FBADRM CC(C)(CCNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1)C(=O)[O-] ZINC001345597106 851610660 /nfs/dbraw/zinc/61/06/60/851610660.db2.gz WFLYJVFSSWTICR-ZDUSSCGKSA-N -1 0 355.435 -0.073 20 0 FBADRM CCC(CC)(CNC(=O)C(=O)N(C)CCNS(C)(=O)=O)C(=O)[O-] ZINC001345597111 851610652 /nfs/dbraw/zinc/61/06/52/851610652.db2.gz WKIFMNSLVDQDEV-UHFFFAOYSA-N -1 0 351.425 -0.999 20 0 FBADRM CC(C)C[C@@H](CNC(=O)C(=O)NCc1nnc2n1CCOC2)C(=O)[O-] ZINC001345597134 851610580 /nfs/dbraw/zinc/61/05/80/851610580.db2.gz XGCAVTWUQBZRMI-JTQLQIEISA-N -1 0 353.379 -0.712 20 0 FBADRM CC(C)C[C@H](CNC(=O)C(=O)NCc1nnc2n1CCOC2)C(=O)[O-] ZINC001345597135 851610646 /nfs/dbraw/zinc/61/06/46/851610646.db2.gz XGCAVTWUQBZRMI-SNVBAGLBSA-N -1 0 353.379 -0.712 20 0 FBADRM COC[C@@H](C)CC(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001345599781 851611609 /nfs/dbraw/zinc/61/16/09/851611609.db2.gz FHWVFKWJXWHMRB-AXFHLTTASA-N -1 0 355.395 -0.533 20 0 FBADRM COC[C@H](C)CC(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC001345599794 851611550 /nfs/dbraw/zinc/61/15/50/851611550.db2.gz FHWVFKWJXWHMRB-MXWKQRLJSA-N -1 0 355.395 -0.533 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)c1 ZINC001345619424 851612444 /nfs/dbraw/zinc/61/24/44/851612444.db2.gz SMBIXLOIUSPHDO-FPTDNZKUSA-N -1 0 361.441 -0.531 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NC[C@]2(O)CCS(=O)(=O)C2)c1 ZINC001345619425 851612579 /nfs/dbraw/zinc/61/25/79/851612579.db2.gz SMBIXLOIUSPHDO-JLCFBVMHSA-N -1 0 361.441 -0.531 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NC[C@]2(O)CCS(=O)(=O)C2)c1 ZINC001345619426 851612346 /nfs/dbraw/zinc/61/23/46/851612346.db2.gz SMBIXLOIUSPHDO-PEBXRYMYSA-N -1 0 361.441 -0.531 20 0 FBADRM COc1cccc(S([O-])=CC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)c1 ZINC001345619427 851612415 /nfs/dbraw/zinc/61/24/15/851612415.db2.gz SMBIXLOIUSPHDO-RCDICMHDSA-N -1 0 361.441 -0.531 20 0 FBADRM Cn1nccc1[C@@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)[O-] ZINC001345638284 851613233 /nfs/dbraw/zinc/61/32/33/851613233.db2.gz RIHHYERXJXYFER-BXKDBHETSA-N -1 0 355.376 -0.318 20 0 FBADRM Cn1nccc1[C@H](NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(=O)[O-] ZINC001345638286 851613572 /nfs/dbraw/zinc/61/35/72/851613572.db2.gz RIHHYERXJXYFER-CABZTGNLSA-N -1 0 355.376 -0.318 20 0 FBADRM Cn1nccc1[C@@H](NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(=O)[O-] ZINC001345638287 851613225 /nfs/dbraw/zinc/61/32/25/851613225.db2.gz RIHHYERXJXYFER-JOYOIKCWSA-N -1 0 355.376 -0.318 20 0 FBADRM Cn1nccc1[C@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)[O-] ZINC001345638291 851613458 /nfs/dbraw/zinc/61/34/58/851613458.db2.gz RIHHYERXJXYFER-SKDRFNHKSA-N -1 0 355.376 -0.318 20 0 FBADRM Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001345688924 851616919 /nfs/dbraw/zinc/61/69/19/851616919.db2.gz CHOFIPVWOCYEPZ-UHFFFAOYSA-N -1 0 360.403 -0.103 20 0 FBADRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001345755605 851623921 /nfs/dbraw/zinc/62/39/21/851623921.db2.gz SGHTXBASWHXZSK-UKTARXLSSA-N -1 0 354.403 -0.181 20 0 FBADRM O=C([O-])C1(NS(=O)(=O)CCCN2CCOCC2)CCSCC1 ZINC001345780664 851625889 /nfs/dbraw/zinc/62/58/89/851625889.db2.gz GOQUVGFNDAEPCP-UHFFFAOYSA-N -1 0 352.478 -0.022 20 0 FBADRM CSCCC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@]2(C)C1 ZINC001345898864 851638300 /nfs/dbraw/zinc/63/83/00/851638300.db2.gz ZGAQVXPSGGEDRN-PSLIRLAXSA-N -1 0 367.431 -0.044 20 0 FBADRM COCCCN(C(=O)c1cnc(C(=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC001345929629 851641703 /nfs/dbraw/zinc/64/17/03/851641703.db2.gz BITMOJUXDHFAPK-JTQLQIEISA-N -1 0 357.388 -0.159 20 0 FBADRM COCCCN(C(=O)c1cnc(C(=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC001345929630 851641299 /nfs/dbraw/zinc/64/12/99/851641299.db2.gz BITMOJUXDHFAPK-SNVBAGLBSA-N -1 0 357.388 -0.159 20 0 FBADRM CN(CCNS(C)(=O)=O)C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001345932120 851641342 /nfs/dbraw/zinc/64/13/42/851641342.db2.gz SREMLZXNLJJMBH-CYBMUJFWSA-N -1 0 368.415 -0.287 20 0 FBADRM CN(CCNS(C)(=O)=O)C(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001345932123 851641653 /nfs/dbraw/zinc/64/16/53/851641653.db2.gz SREMLZXNLJJMBH-ZDUSSCGKSA-N -1 0 368.415 -0.287 20 0 FBADRM COC(=O)Cc1nc([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)n[nH]1 ZINC001345942923 851641196 /nfs/dbraw/zinc/64/11/96/851641196.db2.gz CNDMKFKYSPPMBI-JTQLQIEISA-N -1 0 362.408 -0.297 20 0 FBADRM COC(=O)Cc1nc([N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)n[nH]1 ZINC001345942924 851641509 /nfs/dbraw/zinc/64/15/09/851641509.db2.gz CNDMKFKYSPPMBI-SNVBAGLBSA-N -1 0 362.408 -0.297 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC(OCC(N)=O)CC2)C[C@H]1C(=O)[O-] ZINC001345943612 851642209 /nfs/dbraw/zinc/64/22/09/851642209.db2.gz KSHLFLUVKQSOSH-CMPLNLGQSA-N -1 0 355.391 -0.952 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)N2CCC(OCC(N)=O)CC2)C[C@@H]1C(=O)[O-] ZINC001345943616 851642558 /nfs/dbraw/zinc/64/25/58/851642558.db2.gz KSHLFLUVKQSOSH-JQWIXIFHSA-N -1 0 355.391 -0.952 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC(OCC(N)=O)CC2)C[C@@H]1C(=O)[O-] ZINC001345943620 851642053 /nfs/dbraw/zinc/64/20/53/851642053.db2.gz KSHLFLUVKQSOSH-PWSUYJOCSA-N -1 0 355.391 -0.952 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)N2CCC(OCC(N)=O)CC2)C[C@H]1C(=O)[O-] ZINC001345943623 851642002 /nfs/dbraw/zinc/64/20/02/851642002.db2.gz KSHLFLUVKQSOSH-ZYHUDNBSSA-N -1 0 355.391 -0.952 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)n1 ZINC001345945583 851642099 /nfs/dbraw/zinc/64/20/99/851642099.db2.gz WGUVPKMZLDZQBL-LLVKDONJSA-N -1 0 362.408 -0.366 20 0 FBADRM COC(=O)Cn1cnc([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)n1 ZINC001345945584 851642326 /nfs/dbraw/zinc/64/23/26/851642326.db2.gz WGUVPKMZLDZQBL-NSHDSACASA-N -1 0 362.408 -0.366 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCC2CCS(=O)(=O)CC2)C[C@H]1C(=O)[O-] ZINC001345986313 851646318 /nfs/dbraw/zinc/64/63/18/851646318.db2.gz AHLYSKQXZPUIFO-CMPLNLGQSA-N -1 0 360.432 -0.503 20 0 FBADRM C[C@H]1CCN(C(=O)C(=O)NCC2CCS(=O)(=O)CC2)C[C@@H]1C(=O)[O-] ZINC001345986315 851646239 /nfs/dbraw/zinc/64/62/39/851646239.db2.gz AHLYSKQXZPUIFO-JQWIXIFHSA-N -1 0 360.432 -0.503 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCC2CCS(=O)(=O)CC2)C[C@@H]1C(=O)[O-] ZINC001345986316 851646271 /nfs/dbraw/zinc/64/62/71/851646271.db2.gz AHLYSKQXZPUIFO-PWSUYJOCSA-N -1 0 360.432 -0.503 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCC2CCS(=O)(=O)CC2)C[C@H]1C(=O)[O-] ZINC001345986317 851646118 /nfs/dbraw/zinc/64/61/18/851646118.db2.gz AHLYSKQXZPUIFO-ZYHUDNBSSA-N -1 0 360.432 -0.503 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)N1CCOCC1 ZINC001345986412 851646076 /nfs/dbraw/zinc/64/60/76/851646076.db2.gz BENSUDHMOIIGRJ-BFHYXJOUSA-N -1 0 355.435 -0.171 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)N1CCOCC1 ZINC001345986414 851646334 /nfs/dbraw/zinc/64/63/34/851646334.db2.gz BENSUDHMOIIGRJ-MJBXVCDLSA-N -1 0 355.435 -0.171 20 0 FBADRM CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CC(=O)[O-])c(=O)c1=O ZINC001346003580 851648784 /nfs/dbraw/zinc/64/87/84/851648784.db2.gz FWDCMRKPEVSFRB-UHFFFAOYSA-N -1 0 355.372 -0.482 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC001346004409 851648703 /nfs/dbraw/zinc/64/87/03/851648703.db2.gz LRBDKQYRNJVFJM-FXPVBKGRSA-N -1 0 355.434 -0.544 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)[C@H](C(=O)[O-])[C@@H](C)O1 ZINC001346004421 851648777 /nfs/dbraw/zinc/64/87/77/851648777.db2.gz LRBDKQYRNJVFJM-KKZNHRDASA-N -1 0 355.434 -0.544 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC001346004422 851648849 /nfs/dbraw/zinc/64/88/49/851648849.db2.gz LRBDKQYRNJVFJM-WCABBAIRSA-N -1 0 355.434 -0.544 20 0 FBADRM C[C@@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)[C@H](C(=O)[O-])[C@H](C)O1 ZINC001346004423 851648811 /nfs/dbraw/zinc/64/88/11/851648811.db2.gz LRBDKQYRNJVFJM-YWVKMMECSA-N -1 0 355.434 -0.544 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)NCC2(C(=O)[O-])CCOCC2)cn1 ZINC001346013246 851649463 /nfs/dbraw/zinc/64/94/63/851649463.db2.gz ASHPIYIVULYTPL-UHFFFAOYSA-N -1 0 353.379 -0.026 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001346014056 851649779 /nfs/dbraw/zinc/64/97/79/851649779.db2.gz KCLCSQTYOIYSEA-NEPJUHHUSA-N -1 0 372.443 -0.265 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001346014057 851649404 /nfs/dbraw/zinc/64/94/04/851649404.db2.gz KCLCSQTYOIYSEA-NWDGAFQWSA-N -1 0 372.443 -0.265 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001346014058 851649719 /nfs/dbraw/zinc/64/97/19/851649719.db2.gz KCLCSQTYOIYSEA-RYUDHWBXSA-N -1 0 372.443 -0.265 20 0 FBADRM CC1(C(=O)[O-])CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001346014059 851649443 /nfs/dbraw/zinc/64/94/43/851649443.db2.gz KCLCSQTYOIYSEA-VXGBXAGGSA-N -1 0 372.443 -0.265 20 0 FBADRM COc1ccc(S(=O)(=O)NCC(=O)N[C@H](C)CC(=O)[O-])cc1OC ZINC001346015280 851649634 /nfs/dbraw/zinc/64/96/34/851649634.db2.gz SJQWFWTZDFXLLH-SECBINFHSA-N -1 0 360.388 -0.039 20 0 FBADRM COc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)CC(=O)[O-])cc1OC ZINC001346015281 851649605 /nfs/dbraw/zinc/64/96/05/851649605.db2.gz SJQWFWTZDFXLLH-VIFPVBQESA-N -1 0 360.388 -0.039 20 0 FBADRM COC[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001346021890 851650398 /nfs/dbraw/zinc/65/03/98/851650398.db2.gz FQWACYLFLKAQNB-KXUCPTDWSA-N -1 0 353.379 -0.610 20 0 FBADRM COC[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C ZINC001346021891 851650346 /nfs/dbraw/zinc/65/03/46/851650346.db2.gz FQWACYLFLKAQNB-OPRDCNLKSA-N -1 0 353.379 -0.610 20 0 FBADRM COCCOCC(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C ZINC001346021910 851650265 /nfs/dbraw/zinc/65/02/65/851650265.db2.gz GDGCEESLPGFLNP-ZYHUDNBSSA-N -1 0 354.407 -0.089 20 0 FBADRM COC1(CS(=O)(=O)[N-]c2ccn(CC(=O)N(C)C)n2)CCOCC1 ZINC001346129208 851660175 /nfs/dbraw/zinc/66/01/75/851660175.db2.gz YGFUPXWRGJIGHF-UHFFFAOYSA-N -1 0 360.436 -0.091 20 0 FBADRM O=C([O-])[C@@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)C[C@H]1C1CC1 ZINC001346138395 851661827 /nfs/dbraw/zinc/66/18/27/851661827.db2.gz HHXWZKWWZCQPLC-NWDGAFQWSA-N -1 0 351.446 -0.064 20 0 FBADRM CSCC(=O)N1C[C@@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC001346155854 851665019 /nfs/dbraw/zinc/66/50/19/851665019.db2.gz PSRIBEVVUVYXHE-NXEZZACHSA-N -1 0 369.447 -0.211 20 0 FBADRM CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1 ZINC001346181140 851666777 /nfs/dbraw/zinc/66/67/77/851666777.db2.gz IDMAMAQGZQPMQG-UHFFFAOYSA-N -1 0 353.404 -0.065 20 0 FBADRM CCNS(=O)(=O)CCNC(=O)C(=O)[N-]OCc1ccccc1OC ZINC001346181930 851666597 /nfs/dbraw/zinc/66/65/97/851666597.db2.gz DZDBKIBWMGHSSZ-UHFFFAOYSA-N -1 0 359.404 -0.702 20 0 FBADRM CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)NCc2nc(=O)o[n-]2)C1 ZINC001346184020 851667446 /nfs/dbraw/zinc/66/74/46/851667446.db2.gz QBMKTCYAFHFGQU-RFAUZJTJSA-N -1 0 354.363 -0.137 20 0 FBADRM CO[C@@H](C)CC(=O)N1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC001346188527 851667522 /nfs/dbraw/zinc/66/75/22/851667522.db2.gz FMJOIXBCWUFIFP-KXUCPTDWSA-N -1 0 353.379 -0.468 20 0 FBADRM CO[C@H](C)CC(=O)N1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC001346188528 851667369 /nfs/dbraw/zinc/66/73/69/851667369.db2.gz FMJOIXBCWUFIFP-OPRDCNLKSA-N -1 0 353.379 -0.468 20 0 FBADRM CCO[C@@H](C)C(=O)N1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC001346188785 851667548 /nfs/dbraw/zinc/66/75/48/851667548.db2.gz QRHXYJBKFYYKCO-KXUCPTDWSA-N -1 0 353.379 -0.468 20 0 FBADRM CCO[C@H](C)C(=O)N1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC001346188786 851667454 /nfs/dbraw/zinc/66/74/54/851667454.db2.gz QRHXYJBKFYYKCO-OPRDCNLKSA-N -1 0 353.379 -0.468 20 0 FBADRM C[C@@H]1CN(C(=O)[C@H]2CC2(C)C)C[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001346201632 851669983 /nfs/dbraw/zinc/66/99/83/851669983.db2.gz RWNVMJDZDGKKFJ-GMTAPVOTSA-N -1 0 351.407 -0.054 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(Cl)c(C(=O)NC)c1 ZINC001346207088 851670603 /nfs/dbraw/zinc/67/06/03/851670603.db2.gz JMAYULFZIGCLBS-UHFFFAOYSA-N -1 0 356.766 -0.178 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F ZINC001346208212 851670740 /nfs/dbraw/zinc/67/07/40/851670740.db2.gz ODCULWSLFUVXFN-SECBINFHSA-N -1 0 351.285 -0.676 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F ZINC001346208213 851670536 /nfs/dbraw/zinc/67/05/36/851670536.db2.gz ODCULWSLFUVXFN-VIFPVBQESA-N -1 0 351.285 -0.676 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(CS(C)(=O)=O)cc1 ZINC001346210228 851670774 /nfs/dbraw/zinc/67/07/74/851670774.db2.gz XLHFZTGGQADNIX-UHFFFAOYSA-N -1 0 357.388 -0.646 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(OC)c(NC(C)=O)c1 ZINC001346210366 851670590 /nfs/dbraw/zinc/67/05/90/851670590.db2.gz ZSSMYALGBZSURW-UHFFFAOYSA-N -1 0 352.347 -0.224 20 0 FBADRM CC(C)[C@@H](F)C(=O)NC[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001346221861 851671579 /nfs/dbraw/zinc/67/15/79/851671579.db2.gz POEGJRQEKZHUKG-CKYFFXLPSA-N -1 0 357.386 -0.106 20 0 FBADRM CC(C)[C@H](F)C(=O)NC[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC001346221863 851671489 /nfs/dbraw/zinc/67/14/89/851671489.db2.gz POEGJRQEKZHUKG-FOGDFJRCSA-N -1 0 357.386 -0.106 20 0 FBADRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N(C)CCNS(C)(=O)=O ZINC001346231664 851672233 /nfs/dbraw/zinc/67/22/33/851672233.db2.gz GCBRIZHOSXVHNI-LLVKDONJSA-N -1 0 357.432 -0.130 20 0 FBADRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N(C)CCNS(C)(=O)=O ZINC001346231665 851672291 /nfs/dbraw/zinc/67/22/91/851672291.db2.gz GCBRIZHOSXVHNI-NSHDSACASA-N -1 0 357.432 -0.130 20 0 FBADRM C[C@@H]1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C[C@H]1CNC(=O)C(N)=O ZINC001346242527 851673123 /nfs/dbraw/zinc/67/31/23/851673123.db2.gz RDISPRALGXXEGG-HTQZYQBOSA-N -1 0 366.340 -0.861 20 0 FBADRM CNS(=O)(=O)c1ccccc1N1CCN(CCOCC(=O)[O-])CC1 ZINC001346243789 851674071 /nfs/dbraw/zinc/67/40/71/851674071.db2.gz TUIJGQNJUMXWMF-UHFFFAOYSA-N -1 0 357.432 -0.182 20 0 FBADRM CSCCO[N-]C(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC001346262997 851676540 /nfs/dbraw/zinc/67/65/40/851676540.db2.gz JEJVDTAVMSLAGW-UHFFFAOYSA-N -1 0 353.466 -0.767 20 0 FBADRM CN(CC(F)F)C(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001346280190 851677923 /nfs/dbraw/zinc/67/79/23/851677923.db2.gz GHZHGBBLJZYFPG-SECBINFHSA-N -1 0 361.345 -0.366 20 0 FBADRM CN(CC(F)F)C(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001346280191 851678390 /nfs/dbraw/zinc/67/83/90/851678390.db2.gz GHZHGBBLJZYFPG-VIFPVBQESA-N -1 0 361.345 -0.366 20 0 FBADRM Cn1[n-]c(-c2nnc(N3CCC[C@@H](NS(C)(=O)=O)C3)n2C)cc1=O ZINC001346301314 851681792 /nfs/dbraw/zinc/68/17/92/851681792.db2.gz XYYFACGTCFUWKB-SECBINFHSA-N -1 0 355.424 -0.561 20 0 FBADRM Cn1[n-]c(-c2nnc(N3CCC[C@H](NS(C)(=O)=O)C3)n2C)cc1=O ZINC001346301319 851681698 /nfs/dbraw/zinc/68/16/98/851681698.db2.gz XYYFACGTCFUWKB-VIFPVBQESA-N -1 0 355.424 -0.561 20 0 FBADRM COc1ccccc1CO[N-]C(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC001346301948 851681813 /nfs/dbraw/zinc/68/18/13/851681813.db2.gz GTOOUILJNFBTRN-GFCCVEGCSA-N -1 0 356.400 -0.064 20 0 FBADRM COc1ccccc1CO[N-]C(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC001346301949 851681661 /nfs/dbraw/zinc/68/16/61/851681661.db2.gz GTOOUILJNFBTRN-LBPRGKRZSA-N -1 0 356.400 -0.064 20 0 FBADRM COCCO[N-]C(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC001346315842 851683522 /nfs/dbraw/zinc/68/35/22/851683522.db2.gz ROSIMNWGGDCDBJ-UHFFFAOYSA-N -1 0 373.378 -0.939 20 0 FBADRM CC(=O)NCC(=O)NCC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C ZINC001346323262 851684314 /nfs/dbraw/zinc/68/43/14/851684314.db2.gz JCFUARIHIITQPO-BXKDBHETSA-N -1 0 351.407 -0.226 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC001346332554 851685599 /nfs/dbraw/zinc/68/55/99/851685599.db2.gz JXNUVIFLSYDLRY-UHFFFAOYSA-N -1 0 353.375 -0.454 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC001346333201 851685327 /nfs/dbraw/zinc/68/53/27/851685327.db2.gz PVTREPIORBUUCO-UONOGXRCSA-N -1 0 353.419 -0.510 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)CCN3CCCC3=O)CC2)C1 ZINC001346334656 851685385 /nfs/dbraw/zinc/68/53/85/851685385.db2.gz ZZVHOXNMHLIHEN-GFCCVEGCSA-N -1 0 351.403 -0.077 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)CCN3CCCC3=O)CC2)C1 ZINC001346334661 851685225 /nfs/dbraw/zinc/68/52/25/851685225.db2.gz ZZVHOXNMHLIHEN-LBPRGKRZSA-N -1 0 351.403 -0.077 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(C(=O)N(C)C)cc1 ZINC001346342677 851686204 /nfs/dbraw/zinc/68/62/04/851686204.db2.gz SWOOYEZWEBXLGA-UHFFFAOYSA-N -1 0 350.375 -0.812 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1nc2c(s1)CCCC2 ZINC001346356822 851688695 /nfs/dbraw/zinc/68/86/95/851688695.db2.gz BYBSJKRJDWEICN-UHFFFAOYSA-N -1 0 354.432 -0.136 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cccc(CS(C)(=O)=O)c1 ZINC001346358163 851688574 /nfs/dbraw/zinc/68/85/74/851688574.db2.gz PALSVAREPHZSBI-UHFFFAOYSA-N -1 0 371.415 -0.969 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC[S@](=O)Cc1ccccc1 ZINC001346360397 851688537 /nfs/dbraw/zinc/68/85/37/851688537.db2.gz AGUNZXQRWCCIPS-DEOSSOPVSA-N -1 0 355.416 -0.765 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC[S@@](=O)Cc1ccccc1 ZINC001346360398 851688620 /nfs/dbraw/zinc/68/86/20/851688620.db2.gz AGUNZXQRWCCIPS-XMMPIXPASA-N -1 0 355.416 -0.765 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCOc2ccc(OC)cc21 ZINC001346384220 851691508 /nfs/dbraw/zinc/69/15/08/851691508.db2.gz QXBMODSGNMFPED-LBPRGKRZSA-N -1 0 351.359 -0.181 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc2c(c1)OC(F)(F)O2 ZINC001346398086 851692974 /nfs/dbraw/zinc/69/29/74/851692974.db2.gz YMKIESLSHWMZTG-UHFFFAOYSA-N -1 0 359.285 -0.192 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)C1CCN(CC(F)(F)F)CC1 ZINC001346413605 851693912 /nfs/dbraw/zinc/69/39/12/851693912.db2.gz DISBHNLIRKBVGK-UHFFFAOYSA-N -1 0 368.356 -0.345 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(N2CCCCC2=O)CC1 ZINC001346413611 851693764 /nfs/dbraw/zinc/69/37/64/851693764.db2.gz DKNLMCJOMYZLKZ-UHFFFAOYSA-N -1 0 354.407 -0.826 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC001346413708 851694066 /nfs/dbraw/zinc/69/40/66/851694066.db2.gz FVCAZULKEBWSBU-UHFFFAOYSA-N -1 0 350.375 -0.775 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC001346414911 851694942 /nfs/dbraw/zinc/69/49/42/851694942.db2.gz KLUJWIJRHXHUMC-UHFFFAOYSA-N -1 0 353.375 -0.154 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1nc([C@@H](C)OCC)no1 ZINC001346415317 851694932 /nfs/dbraw/zinc/69/49/32/851694932.db2.gz NJCXOAZMUZTXQG-SECBINFHSA-N -1 0 357.367 -0.691 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1nc([C@H](C)OCC)no1 ZINC001346415319 851694793 /nfs/dbraw/zinc/69/47/93/851694793.db2.gz NJCXOAZMUZTXQG-VIFPVBQESA-N -1 0 357.367 -0.691 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(Cc1ccccc1)[C@@H](CC)CO ZINC001346415529 851694912 /nfs/dbraw/zinc/69/49/12/851694912.db2.gz OSYUNLNFBLIHRG-AWEZNQCLSA-N -1 0 351.403 -0.030 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(C(=O)C(F)(F)F)CC1 ZINC001346415565 851694922 /nfs/dbraw/zinc/69/49/22/851694922.db2.gz PMWMUXURBCRFMH-UHFFFAOYSA-N -1 0 353.297 -0.460 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)CCN(C)C(=O)OC(C)(C)C ZINC001346415852 851694827 /nfs/dbraw/zinc/69/48/27/851694827.db2.gz QHLPWCBPERKNES-UHFFFAOYSA-N -1 0 360.411 -0.504 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(Cc2ccsc2)CC1 ZINC001346416224 851694821 /nfs/dbraw/zinc/69/48/21/851694821.db2.gz VFRXTBUJIOUOTJ-UHFFFAOYSA-N -1 0 354.432 -0.424 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(CCc2cccs2)CC1 ZINC001346416619 851694679 /nfs/dbraw/zinc/69/46/79/851694679.db2.gz XMZBQVQCKUDMHT-UHFFFAOYSA-N -1 0 368.459 -0.381 20 0 FBADRM CS(=O)(=O)c1nc(NC(=O)Cc2ccccc2S(C)(=O)=O)n[n-]1 ZINC001346432941 851695807 /nfs/dbraw/zinc/69/58/07/851695807.db2.gz IXPXJMXZZRDOBJ-UHFFFAOYSA-N -1 0 358.401 -0.207 20 0 FBADRM Cn1cnc(S(=O)(=O)[N-]C(=O)CC2CCN(S(C)(=O)=O)CC2)c1 ZINC001346462180 851698384 /nfs/dbraw/zinc/69/83/84/851698384.db2.gz IMWFMNSKMINBKA-UHFFFAOYSA-N -1 0 364.449 -0.713 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)CC1 ZINC001346463048 851698606 /nfs/dbraw/zinc/69/86/06/851698606.db2.gz LFSNITXLNGGBOV-LLVKDONJSA-N -1 0 354.450 -0.717 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)CC1 ZINC001346463062 851698560 /nfs/dbraw/zinc/69/85/60/851698560.db2.gz LFSNITXLNGGBOV-NSHDSACASA-N -1 0 354.450 -0.717 20 0 FBADRM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC001346464906 851699591 /nfs/dbraw/zinc/69/95/91/851699591.db2.gz VLHRXXHOUUGXSQ-UHFFFAOYSA-N -1 0 365.371 -0.172 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)C(=O)[O-] ZINC001346504130 851701763 /nfs/dbraw/zinc/70/17/63/851701763.db2.gz JNLCQFGNLOEWKK-LLVKDONJSA-N -1 0 353.379 -0.617 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)C(=O)[O-] ZINC001346504131 851701788 /nfs/dbraw/zinc/70/17/88/851701788.db2.gz JNLCQFGNLOEWKK-NSHDSACASA-N -1 0 353.379 -0.617 20 0 FBADRM COCCn1cc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)ccc1=O ZINC001346507545 851701963 /nfs/dbraw/zinc/70/19/63/851701963.db2.gz WRQJYGIZFCERDL-GFCCVEGCSA-N -1 0 353.375 -0.094 20 0 FBADRM COCCn1cc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)ccc1=O ZINC001346507546 851702274 /nfs/dbraw/zinc/70/22/74/851702274.db2.gz WRQJYGIZFCERDL-LBPRGKRZSA-N -1 0 353.375 -0.094 20 0 FBADRM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC001346507549 851701725 /nfs/dbraw/zinc/70/17/25/851701725.db2.gz WSIXCDGDIXECOJ-CHWSQXEVSA-N -1 0 358.439 -0.425 20 0 FBADRM COCCCNC(=O)[C@H](C)N1CCN(C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC001346507550 851701795 /nfs/dbraw/zinc/70/17/95/851701795.db2.gz WSIXCDGDIXECOJ-OLZOCXBDSA-N -1 0 358.439 -0.425 20 0 FBADRM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC001346507551 851702427 /nfs/dbraw/zinc/70/24/27/851702427.db2.gz WSIXCDGDIXECOJ-QWHCGFSZSA-N -1 0 358.439 -0.425 20 0 FBADRM COCCCNC(=O)[C@H](C)N1CCN(C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC001346507552 851701950 /nfs/dbraw/zinc/70/19/50/851701950.db2.gz WSIXCDGDIXECOJ-STQMWFEESA-N -1 0 358.439 -0.425 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1)C(=O)[O-] ZINC001346515227 851702870 /nfs/dbraw/zinc/70/28/70/851702870.db2.gz JWVFXTLZHFNMDG-KBPBESRZSA-N -1 0 355.435 -0.360 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1)C(=O)[O-] ZINC001346515228 851702855 /nfs/dbraw/zinc/70/28/55/851702855.db2.gz JWVFXTLZHFNMDG-KGLIPLIRSA-N -1 0 355.435 -0.360 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1)C(=O)[O-] ZINC001346515230 851703043 /nfs/dbraw/zinc/70/30/43/851703043.db2.gz JWVFXTLZHFNMDG-UONOGXRCSA-N -1 0 355.435 -0.360 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1)C(=O)[O-] ZINC001346515232 851703259 /nfs/dbraw/zinc/70/32/59/851703259.db2.gz JWVFXTLZHFNMDG-ZIAGYGMSSA-N -1 0 355.435 -0.360 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NC2CC2)C1)C(=O)[O-] ZINC001346515292 851703394 /nfs/dbraw/zinc/70/33/94/851703394.db2.gz KYYIFRCAWOVBAQ-AAEUAGOBSA-N -1 0 353.419 -0.023 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NC2CC2)C1)C(=O)[O-] ZINC001346515294 851703325 /nfs/dbraw/zinc/70/33/25/851703325.db2.gz KYYIFRCAWOVBAQ-DGCLKSJQSA-N -1 0 353.419 -0.023 20 0 FBADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NC2CC2)C1)C(=O)[O-] ZINC001346515296 851703350 /nfs/dbraw/zinc/70/33/50/851703350.db2.gz KYYIFRCAWOVBAQ-WCQYABFASA-N -1 0 353.419 -0.023 20 0 FBADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NC2CC2)C1)C(=O)[O-] ZINC001346515298 851703035 /nfs/dbraw/zinc/70/30/35/851703035.db2.gz KYYIFRCAWOVBAQ-YPMHNXCESA-N -1 0 353.419 -0.023 20 0 FBADRM COCCc1noc(CN(C)C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)n1 ZINC001346517236 851703123 /nfs/dbraw/zinc/70/31/23/851703123.db2.gz OXYKAVNYXFDHDW-JTQLQIEISA-N -1 0 356.379 -0.310 20 0 FBADRM COCCc1noc(CN(C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)n1 ZINC001346517238 851702961 /nfs/dbraw/zinc/70/29/61/851702961.db2.gz OXYKAVNYXFDHDW-SNVBAGLBSA-N -1 0 356.379 -0.310 20 0 FBADRM CSCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001346525711 851703992 /nfs/dbraw/zinc/70/39/92/851703992.db2.gz DBZBDYDETSWWTL-NXEZZACHSA-N -1 0 357.436 -0.347 20 0 FBADRM COCCO[N-]C(=O)C(=O)Nc1cc(CS(C)(=O)=O)ccc1OC ZINC001346545925 851705912 /nfs/dbraw/zinc/70/59/12/851705912.db2.gz XBKNJLCNWVXOOB-UHFFFAOYSA-N -1 0 360.388 -0.128 20 0 FBADRM C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001346566426 851707577 /nfs/dbraw/zinc/70/75/77/851707577.db2.gz WMMNMKOHEBFFGA-NZFPMDFQSA-N -1 0 363.336 -0.195 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccccc1CC(=O)OC ZINC001346576021 851708797 /nfs/dbraw/zinc/70/87/97/851708797.db2.gz IIGALERGWOYIMQ-UHFFFAOYSA-N -1 0 351.359 -0.798 20 0 FBADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(F)C2)n[nH]1 ZINC001346576457 851708595 /nfs/dbraw/zinc/70/85/95/851708595.db2.gz CWQHQSXUJSAHLT-UHFFFAOYSA-N -1 0 369.444 -0.128 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)N1C[C@H]2[C@H](CO)[C@H]2C1)[N-]c1ccon1 ZINC001346576714 851709037 /nfs/dbraw/zinc/70/90/37/851709037.db2.gz DXVODQRIOIUQNJ-URLYPYJESA-N -1 0 365.433 -0.694 20 0 FBADRM Cn1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)NC2(C)CC2)n1 ZINC001346576844 851708947 /nfs/dbraw/zinc/70/89/47/851708947.db2.gz HBOXTNYWTUCDLH-UHFFFAOYSA-N -1 0 351.454 -0.191 20 0 FBADRM O=C([N-]CCn1cc(CN[C@@H]2CCS(=O)(=O)C2)nn1)C(F)(F)F ZINC001346588345 851709639 /nfs/dbraw/zinc/70/96/39/851709639.db2.gz GYSIAZPCGDFUMW-MRVPVSSYSA-N -1 0 355.342 -0.767 20 0 FBADRM O=C([N-]CCn1cc(CN[C@H]2CCS(=O)(=O)C2)nn1)C(F)(F)F ZINC001346588346 851710042 /nfs/dbraw/zinc/71/00/42/851710042.db2.gz GYSIAZPCGDFUMW-QMMMGPOBSA-N -1 0 355.342 -0.767 20 0 FBADRM Cn1ncc2cc(S(=O)(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)cnc21 ZINC001346683196 851714885 /nfs/dbraw/zinc/71/48/85/851714885.db2.gz NDTUHAXNSVRPOP-QMTHXVAHSA-N -1 0 352.372 -0.310 20 0 FBADRM COC(=O)c1cnc(S(=O)(=O)Cc2nnn(CC(F)(F)F)n2)[n-]1 ZINC001346683912 851715737 /nfs/dbraw/zinc/71/57/37/851715737.db2.gz VKSVKEFZTNPHSY-UHFFFAOYSA-N -1 0 354.270 -0.281 20 0 FBADRM COCC(=O)N1CC[C@@]2(CNC(=O)Cn3c(=O)[n-][nH]c3=O)CCC[C@@H]12 ZINC001346704819 851717619 /nfs/dbraw/zinc/71/76/19/851717619.db2.gz RQTZDXFGUNQIBO-MEBBXXQBSA-N -1 0 353.379 -0.777 20 0 FBADRM COC(=O)CCN1CCC[C@H](OC(=O)c2cc(=O)[n-]c(OC)n2)C1=O ZINC001346759582 851720803 /nfs/dbraw/zinc/72/08/03/851720803.db2.gz YJAUZIHPXGMXNV-JTQLQIEISA-N -1 0 353.331 -0.098 20 0 FBADRM COC(=O)CCN1CCC[C@@H](OC(=O)c2cc(=O)[n-]c(OC)n2)C1=O ZINC001346759590 851720890 /nfs/dbraw/zinc/72/08/90/851720890.db2.gz YJAUZIHPXGMXNV-SNVBAGLBSA-N -1 0 353.331 -0.098 20 0 FBADRM COC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001346915047 851734917 /nfs/dbraw/zinc/73/49/17/851734917.db2.gz LHZYIBJVYNOQLI-IMSYWVGJSA-N -1 0 351.363 -0.573 20 0 FBADRM COC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001346915051 851735035 /nfs/dbraw/zinc/73/50/35/851735035.db2.gz LHZYIBJVYNOQLI-JXUBOQSCSA-N -1 0 351.363 -0.573 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC001346987414 851741764 /nfs/dbraw/zinc/74/17/64/851741764.db2.gz LPXSGGLKRYQKMK-UHFFFAOYSA-N -1 0 364.449 -0.795 20 0 FBADRM CCN(C(=O)C(=O)Nc1cccnc1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001347045531 851748723 /nfs/dbraw/zinc/74/87/23/851748723.db2.gz BXOGICHCRMBXOV-SECBINFHSA-N -1 0 355.372 -0.246 20 0 FBADRM CCN(C(=O)C(=O)Nc1cccnc1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001347045532 851748801 /nfs/dbraw/zinc/74/88/01/851748801.db2.gz BXOGICHCRMBXOV-VIFPVBQESA-N -1 0 355.372 -0.246 20 0 FBADRM COCc1cc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ncn1 ZINC001347045533 851749073 /nfs/dbraw/zinc/74/90/73/851749073.db2.gz BYTFOKGWTVIUOK-RFAUZJTJSA-N -1 0 350.331 -0.879 20 0 FBADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)cn1 ZINC001347045539 851748554 /nfs/dbraw/zinc/74/85/54/851748554.db2.gz CHSLRBXRQUGQKW-UHFFFAOYSA-N -1 0 351.363 -0.719 20 0 FBADRM CS(=O)(=O)C[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC001347045724 851748533 /nfs/dbraw/zinc/74/85/33/851748533.db2.gz FXKRBWGRQVXCMF-SECBINFHSA-N -1 0 355.372 -0.389 20 0 FBADRM CS(=O)(=O)C[C@H]1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC001347045725 851748433 /nfs/dbraw/zinc/74/84/33/851748433.db2.gz FXKRBWGRQVXCMF-VIFPVBQESA-N -1 0 355.372 -0.389 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2cn(C)nn2)cc1C(N)=O ZINC001347046128 851749371 /nfs/dbraw/zinc/74/93/71/851749371.db2.gz LWXPNKVGILSIDX-UHFFFAOYSA-N -1 0 351.388 -0.340 20 0 FBADRM COC(=O)CSCCNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001347046129 851749814 /nfs/dbraw/zinc/74/98/14/851749814.db2.gz LWYSQGKLKGCSOH-UHFFFAOYSA-N -1 0 372.403 -0.336 20 0 FBADRM CC(C)(O)CN1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1 ZINC001347046693 851749562 /nfs/dbraw/zinc/74/95/62/851749562.db2.gz PFJXZTPFFFZCFJ-UHFFFAOYSA-N -1 0 350.375 -0.367 20 0 FBADRM COCCn1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)ccc1=O ZINC001347047075 851749830 /nfs/dbraw/zinc/74/98/30/851749830.db2.gz RRCHSIDKJLJHCK-UHFFFAOYSA-N -1 0 351.359 -0.196 20 0 FBADRM CCS(=O)(=O)CCN(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001347047195 851749808 /nfs/dbraw/zinc/74/98/08/851749808.db2.gz ULAMOHQZTLCJJZ-UHFFFAOYSA-N -1 0 374.419 -0.466 20 0 FBADRM CC(C)NC(=O)CN(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001347047528 851749328 /nfs/dbraw/zinc/74/93/28/851749328.db2.gz VQSYDGNISXPNKI-UHFFFAOYSA-N -1 0 353.379 -0.376 20 0 FBADRM CN1C[C@H](NC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CCC1=O ZINC001347048071 851749463 /nfs/dbraw/zinc/74/94/63/851749463.db2.gz ZUHJRIPQMOTQST-SECBINFHSA-N -1 0 351.363 -0.622 20 0 FBADRM CN1C[C@@H](NC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CCC1=O ZINC001347048073 851749681 /nfs/dbraw/zinc/74/96/81/851749681.db2.gz ZUHJRIPQMOTQST-VIFPVBQESA-N -1 0 351.363 -0.622 20 0 FBADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cccc3c2COCC3)CC1 ZINC001347048410 851749356 /nfs/dbraw/zinc/74/93/56/851749356.db2.gz FHGMSERFOKQQCA-UHFFFAOYSA-N -1 0 367.427 -0.102 20 0 FBADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)c2cnc3n2CCOC3)s1 ZINC001347048705 851749745 /nfs/dbraw/zinc/74/97/45/851749745.db2.gz ITPKNRRCPSGYEY-UHFFFAOYSA-N -1 0 371.400 -0.053 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CNC(=O)CCC(C)C)CC1 ZINC001347048710 851749675 /nfs/dbraw/zinc/74/96/75/851749675.db2.gz JENGYDCXUJXRLX-UHFFFAOYSA-N -1 0 361.464 -0.004 20 0 FBADRM O=C([O-])c1cn(C2CCN(C(=O)CN3CCCS3(=O)=O)CC2)nn1 ZINC001347048713 851749670 /nfs/dbraw/zinc/74/96/70/851749670.db2.gz JFTGAIQKMZKNNE-UHFFFAOYSA-N -1 0 357.392 -0.825 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)CCc2cn(C)nn2)cc1 ZINC001347048762 851749717 /nfs/dbraw/zinc/74/97/17/851749717.db2.gz KKWYDAQIAZYSAH-UHFFFAOYSA-N -1 0 365.415 -0.247 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)c1cnc2n1CCOC2 ZINC001347049355 851750963 /nfs/dbraw/zinc/75/09/63/851750963.db2.gz QQPNADHOZHYHLL-UHFFFAOYSA-N -1 0 372.384 -0.225 20 0 FBADRM CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)Cn2ccc(C)cc2=O)CC1 ZINC001347049417 851750990 /nfs/dbraw/zinc/75/09/90/851750990.db2.gz REWODPPKVCKYJP-UHFFFAOYSA-N -1 0 355.416 -0.386 20 0 FBADRM COCCCOCCC(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1 ZINC001347049607 851750793 /nfs/dbraw/zinc/75/07/93/851750793.db2.gz SCGZOMCFYGUFDQ-UHFFFAOYSA-N -1 0 350.437 -0.114 20 0 FBADRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC001347049704 851750869 /nfs/dbraw/zinc/75/08/69/851750869.db2.gz SXZNTQCUCCWAHZ-SECBINFHSA-N -1 0 374.440 -0.165 20 0 FBADRM CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC001347049706 851750830 /nfs/dbraw/zinc/75/08/30/851750830.db2.gz SXZNTQCUCCWAHZ-VIFPVBQESA-N -1 0 374.440 -0.165 20 0 FBADRM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)Cc1cnn(C)c1 ZINC001347049776 851750308 /nfs/dbraw/zinc/75/03/08/851750308.db2.gz UDNWVHWMZRGWAG-UHFFFAOYSA-N -1 0 372.428 -0.344 20 0 FBADRM COc1cc(F)ccc1S(=O)(=O)[N-]C(=O)COCc1nncn1C ZINC001347050424 851750547 /nfs/dbraw/zinc/75/05/47/851750547.db2.gz XSPPNJLWHKHGBF-UHFFFAOYSA-N -1 0 358.351 -0.016 20 0 FBADRM O=c1[n-]c([C@@H]2CCCN(S(=O)(=O)N3CCC4(CC3)OCCO4)C2)n[nH]1 ZINC001347056347 851750556 /nfs/dbraw/zinc/75/05/56/851750556.db2.gz KCFSMESRAARHTC-LLVKDONJSA-N -1 0 373.435 -0.227 20 0 FBADRM O=c1[n-]c([C@H]2CCCN(S(=O)(=O)N3CCC4(CC3)OCCO4)C2)n[nH]1 ZINC001347056348 851750369 /nfs/dbraw/zinc/75/03/69/851750369.db2.gz KCFSMESRAARHTC-NSHDSACASA-N -1 0 373.435 -0.227 20 0 FBADRM CCS(=O)(=O)C1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC001347060120 851752107 /nfs/dbraw/zinc/75/21/07/851752107.db2.gz CFBVGRVLHVUBGR-UHFFFAOYSA-N -1 0 360.432 -0.217 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)CCC1 ZINC001347061520 851752075 /nfs/dbraw/zinc/75/20/75/851752075.db2.gz PHAJUNSBOSSLSM-CYBMUJFWSA-N -1 0 353.419 -0.319 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CCC1 ZINC001347061521 851752035 /nfs/dbraw/zinc/75/20/35/851752035.db2.gz PHAJUNSBOSSLSM-ZDUSSCGKSA-N -1 0 353.419 -0.319 20 0 FBADRM Cn1[nH]c(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nc1=O ZINC001347145249 851761616 /nfs/dbraw/zinc/76/16/16/851761616.db2.gz IUAFYQAGYDOXCU-HTRCEHHLSA-N -1 0 351.285 -0.796 20 0 FBADRM Cn1[nH]c(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nc1=O ZINC001347145250 851761458 /nfs/dbraw/zinc/76/14/58/851761458.db2.gz IUAFYQAGYDOXCU-POYBYMJQSA-N -1 0 351.285 -0.796 20 0 FBADRM Cn1[nH]c(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])nc1=O ZINC001347145252 851761432 /nfs/dbraw/zinc/76/14/32/851761432.db2.gz IUAFYQAGYDOXCU-SVRRBLITSA-N -1 0 351.285 -0.796 20 0 FBADRM Cn1[nH]c(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])nc1=O ZINC001347145253 851761678 /nfs/dbraw/zinc/76/16/78/851761678.db2.gz IUAFYQAGYDOXCU-XPUUQOCRSA-N -1 0 351.285 -0.796 20 0 FBADRM O=C([O-])C1(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC=CC1 ZINC001347170743 851765366 /nfs/dbraw/zinc/76/53/66/851765366.db2.gz KCWLDPZJNFLQMZ-UHFFFAOYSA-N -1 0 351.403 -0.590 20 0 FBADRM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CN1CCOCC1 ZINC001347171507 851765874 /nfs/dbraw/zinc/76/58/74/851765874.db2.gz SDMQLWDHBGZAAO-GXSJLCMTSA-N -1 0 367.324 -0.559 20 0 FBADRM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)CN1CCOCC1 ZINC001347171509 851765886 /nfs/dbraw/zinc/76/58/86/851765886.db2.gz SDMQLWDHBGZAAO-KOLCDFICSA-N -1 0 367.324 -0.559 20 0 FBADRM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)CN1CCOCC1 ZINC001347171511 851765843 /nfs/dbraw/zinc/76/58/43/851765843.db2.gz SDMQLWDHBGZAAO-MWLCHTKSSA-N -1 0 367.324 -0.559 20 0 FBADRM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CN1CCOCC1 ZINC001347171513 851765730 /nfs/dbraw/zinc/76/57/30/851765730.db2.gz SDMQLWDHBGZAAO-ONGXEEELSA-N -1 0 367.324 -0.559 20 0 FBADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)CN(C(C)=O)C2)C(=O)[O-] ZINC001347178747 851766397 /nfs/dbraw/zinc/76/63/97/851766397.db2.gz OWWSHRILHSVRJV-CYBMUJFWSA-N -1 0 370.383 -0.157 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C1CCN(C(=O)C(C)C)CC1)OC ZINC001347181366 851766940 /nfs/dbraw/zinc/76/69/40/851766940.db2.gz HKPMMELCVYAUPP-CYBMUJFWSA-N -1 0 364.464 -0.012 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C1CCN(C(=O)C(C)C)CC1)OC ZINC001347181378 851766464 /nfs/dbraw/zinc/76/64/64/851766464.db2.gz HKPMMELCVYAUPP-ZDUSSCGKSA-N -1 0 364.464 -0.012 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C1CCN(C(=O)N(C)C)CC1)OC ZINC001347181698 851766594 /nfs/dbraw/zinc/76/65/94/851766594.db2.gz LAXPAXMDLQUMMU-GFCCVEGCSA-N -1 0 365.452 -0.513 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C1CCN(C(=O)N(C)C)CC1)OC ZINC001347181699 851766881 /nfs/dbraw/zinc/76/68/81/851766881.db2.gz LAXPAXMDLQUMMU-LBPRGKRZSA-N -1 0 365.452 -0.513 20 0 FBADRM COC[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001347206672 851769658 /nfs/dbraw/zinc/76/96/58/851769658.db2.gz JLSJITURUNGPCD-IMSYWVGJSA-N -1 0 351.363 -0.573 20 0 FBADRM COC[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001347206673 851769904 /nfs/dbraw/zinc/76/99/04/851769904.db2.gz JLSJITURUNGPCD-JXUBOQSCSA-N -1 0 351.363 -0.573 20 0 FBADRM O=C(C1CCCC1)N1CCC[C@@H](S(=O)(=O)NCc2nc(=O)o[n-]2)C1 ZINC001347335081 851782304 /nfs/dbraw/zinc/78/23/04/851782304.db2.gz NBIVIECZEKQVOL-LLVKDONJSA-N -1 0 358.420 -0.037 20 0 FBADRM O=C(C1CCCC1)N1CCC[C@H](S(=O)(=O)NCc2nc(=O)o[n-]2)C1 ZINC001347335084 851782199 /nfs/dbraw/zinc/78/21/99/851782199.db2.gz NBIVIECZEKQVOL-NSHDSACASA-N -1 0 358.420 -0.037 20 0 FBADRM CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCc2nc(=O)o[n-]2)c1 ZINC001347336714 851782256 /nfs/dbraw/zinc/78/22/56/851782256.db2.gz VJRNRSOOIXMKTD-UHFFFAOYSA-N -1 0 367.792 -0.102 20 0 FBADRM O=C(Cn1ccc(NC(=O)C(=O)[N-]OC/C=C/Cl)n1)N1CCOCC1 ZINC001347360393 851784832 /nfs/dbraw/zinc/78/48/32/851784832.db2.gz CXIGLKYQZCWIQZ-HNQUOIGGSA-N -1 0 371.781 -0.519 20 0 FBADRM O=C(Cn1ccc(NC(=O)C(=O)[N-]OC/C=C\Cl)n1)N1CCOCC1 ZINC001347360405 851784371 /nfs/dbraw/zinc/78/43/71/851784371.db2.gz CXIGLKYQZCWIQZ-IWQZZHSRSA-N -1 0 371.781 -0.519 20 0 FBADRM Cn1nnc(Br)c1C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC001347360699 851784571 /nfs/dbraw/zinc/78/45/71/851784571.db2.gz FPDAYPHMCROQEZ-LURJTMIESA-N -1 0 353.198 -0.326 20 0 FBADRM Cn1nnc(Br)c1C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC001347360704 851784705 /nfs/dbraw/zinc/78/47/05/851784705.db2.gz FPDAYPHMCROQEZ-ZCFIWIBFSA-N -1 0 353.198 -0.326 20 0 FBADRM Cn1nnc2c1C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1)CC2 ZINC001347360785 851784854 /nfs/dbraw/zinc/78/48/54/851784854.db2.gz IFFAAFIOYMUGPP-SSDOTTSWSA-N -1 0 369.428 -0.415 20 0 FBADRM Cn1nnc2c1C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1)CC2 ZINC001347360786 851784957 /nfs/dbraw/zinc/78/49/57/851784957.db2.gz IFFAAFIOYMUGPP-ZETCQYMHSA-N -1 0 369.428 -0.415 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC23CCS(=O)(=O)CC3)CC1 ZINC001347371403 851786457 /nfs/dbraw/zinc/78/64/57/851786457.db2.gz UJHLUIDXTVUYTN-JTQLQIEISA-N -1 0 351.446 -0.174 20 0 FBADRM COCC1(S(=O)(=O)[N-]C(=O)[C@H]2CC23CCS(=O)(=O)CC3)CC1 ZINC001347371407 851786866 /nfs/dbraw/zinc/78/68/66/851786866.db2.gz UJHLUIDXTVUYTN-SNVBAGLBSA-N -1 0 351.446 -0.174 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC001347394371 851788068 /nfs/dbraw/zinc/78/80/68/851788068.db2.gz IVMMZMDHTAFSLF-JTQLQIEISA-N -1 0 374.440 -0.169 20 0 FBADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC001347394374 851788125 /nfs/dbraw/zinc/78/81/25/851788125.db2.gz IVMMZMDHTAFSLF-SNVBAGLBSA-N -1 0 374.440 -0.169 20 0 FBADRM COCCCn1nc(C(=O)N[C@H](C(=O)[O-])C2CCOCC2)ccc1=O ZINC001347400966 851787880 /nfs/dbraw/zinc/78/78/80/851787880.db2.gz MWKOFXQFOOPAEK-AWEZNQCLSA-N -1 0 353.375 -0.111 20 0 FBADRM COCCCn1nc(C(=O)N[C@@H](C(=O)[O-])C2CCOCC2)ccc1=O ZINC001347400968 851787600 /nfs/dbraw/zinc/78/76/00/851787600.db2.gz MWKOFXQFOOPAEK-CQSZACIVSA-N -1 0 353.375 -0.111 20 0 FBADRM COC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001347450778 851793383 /nfs/dbraw/zinc/79/33/83/851793383.db2.gz WRJXIPWARGJCAG-DBIOUOCHSA-N -1 0 353.379 -0.780 20 0 FBADRM COC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001347450780 851793109 /nfs/dbraw/zinc/79/31/09/851793109.db2.gz WRJXIPWARGJCAG-ZDCRXTMVSA-N -1 0 353.379 -0.780 20 0 FBADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NCC(=O)N1CCN(C)CC1 ZINC001347497038 851797670 /nfs/dbraw/zinc/79/76/70/851797670.db2.gz VUTQUGUDNINEDH-UHFFFAOYSA-N -1 0 368.459 -0.048 20 0 FBADRM CC(=O)NC[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCO1 ZINC001347514226 851799710 /nfs/dbraw/zinc/79/97/10/851799710.db2.gz GZHQFEFRGQKARL-JTQLQIEISA-N -1 0 357.388 -0.983 20 0 FBADRM CC(=O)NC[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCO1 ZINC001347514232 851799512 /nfs/dbraw/zinc/79/95/12/851799512.db2.gz GZHQFEFRGQKARL-SNVBAGLBSA-N -1 0 357.388 -0.983 20 0 FBADRM CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001347514733 851799116 /nfs/dbraw/zinc/79/91/16/851799116.db2.gz MDNZTYXNAOOUFY-SECBINFHSA-N -1 0 373.435 -0.195 20 0 FBADRM CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001347514735 851799563 /nfs/dbraw/zinc/79/95/63/851799563.db2.gz MDNZTYXNAOOUFY-VIFPVBQESA-N -1 0 373.435 -0.195 20 0 FBADRM Cc1c(S(=O)(=O)[N-]C(=O)c2cn(CC3(C)COC3)nn2)cnn1C ZINC001347550273 851802233 /nfs/dbraw/zinc/80/22/33/851802233.db2.gz GDRNCOPAUWWZHI-UHFFFAOYSA-N -1 0 354.392 -0.525 20 0 FBADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC001347550470 851802002 /nfs/dbraw/zinc/80/20/02/851802002.db2.gz HIUQFWUESIQQBM-UHFFFAOYSA-N -1 0 364.449 -0.795 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)c1c(I)cnn1C ZINC001347551715 851803420 /nfs/dbraw/zinc/80/34/20/851803420.db2.gz OLLXPNMOPJUSFW-UHFFFAOYSA-N -1 0 358.161 -0.439 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(CNC(C)=O)cc1 ZINC001347652610 851812436 /nfs/dbraw/zinc/81/24/36/851812436.db2.gz POOUEAJKBWWWTD-UHFFFAOYSA-N -1 0 350.375 -0.877 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC001347652681 851811911 /nfs/dbraw/zinc/81/19/11/851811911.db2.gz QBZIALLHDUFFJN-CHWSQXEVSA-N -1 0 351.407 -0.569 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC001347652682 851812188 /nfs/dbraw/zinc/81/21/88/851812188.db2.gz QBZIALLHDUFFJN-OLZOCXBDSA-N -1 0 351.407 -0.569 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC001347652683 851812235 /nfs/dbraw/zinc/81/22/35/851812235.db2.gz QBZIALLHDUFFJN-QWHCGFSZSA-N -1 0 351.407 -0.569 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC001347652684 851813094 /nfs/dbraw/zinc/81/30/94/851813094.db2.gz QBZIALLHDUFFJN-STQMWFEESA-N -1 0 351.407 -0.569 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001347653526 851813229 /nfs/dbraw/zinc/81/32/29/851813229.db2.gz YYUPFRNZEJIBGX-JTQLQIEISA-N -1 0 360.411 -0.458 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001347653527 851813201 /nfs/dbraw/zinc/81/32/01/851813201.db2.gz YYUPFRNZEJIBGX-SNVBAGLBSA-N -1 0 360.411 -0.458 20 0 FBADRM CS(=O)(=O)C1(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)CCCCC1 ZINC001347679897 851816553 /nfs/dbraw/zinc/81/65/53/851816553.db2.gz VYKVEXLHOVCDHZ-GFCCVEGCSA-N -1 0 362.448 -0.066 20 0 FBADRM CS(=O)(=O)C1(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)CCCCC1 ZINC001347679899 851816519 /nfs/dbraw/zinc/81/65/19/851816519.db2.gz VYKVEXLHOVCDHZ-LBPRGKRZSA-N -1 0 362.448 -0.066 20 0 FBADRM CN(C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1I ZINC001347690780 851817635 /nfs/dbraw/zinc/81/76/35/851817635.db2.gz NSAOIXHZSYFWHH-UHFFFAOYSA-N -1 0 358.161 -0.439 20 0 FBADRM CC(C)(C)C(=O)NCC(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001347698047 851817147 /nfs/dbraw/zinc/81/71/47/851817147.db2.gz BFSDBPJOSFHDIB-JTQLQIEISA-N -1 0 358.420 -0.188 20 0 FBADRM CC(C)(C)C(=O)NCC(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001347698048 851817503 /nfs/dbraw/zinc/81/75/03/851817503.db2.gz BFSDBPJOSFHDIB-SNVBAGLBSA-N -1 0 358.420 -0.188 20 0 FBADRM Cc1c(CC(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cnn1C ZINC001347698106 851817354 /nfs/dbraw/zinc/81/73/54/851817354.db2.gz DCLMHZOAFFRZFO-GFCCVEGCSA-N -1 0 353.404 -0.066 20 0 FBADRM Cc1c(CC(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)cnn1C ZINC001347698107 851817630 /nfs/dbraw/zinc/81/76/30/851817630.db2.gz DCLMHZOAFFRZFO-LBPRGKRZSA-N -1 0 353.404 -0.066 20 0 FBADRM CC(C)(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001347698602 851817592 /nfs/dbraw/zinc/81/75/92/851817592.db2.gz KODKPZARVMSFES-NXEZZACHSA-N -1 0 366.461 -0.734 20 0 FBADRM CC(C)(C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001347698603 851817369 /nfs/dbraw/zinc/81/73/69/851817369.db2.gz KODKPZARVMSFES-UWVGGRQHSA-N -1 0 366.461 -0.734 20 0 FBADRM CC(C)(C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001347698604 851817124 /nfs/dbraw/zinc/81/71/24/851817124.db2.gz KODKPZARVMSFES-VHSXEESVSA-N -1 0 366.461 -0.734 20 0 FBADRM CC(C)(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001347698610 851817515 /nfs/dbraw/zinc/81/75/15/851817515.db2.gz KODKPZARVMSFES-ZJUUUORDSA-N -1 0 366.461 -0.734 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)C1CC1 ZINC001347698634 851817413 /nfs/dbraw/zinc/81/74/13/851817413.db2.gz KZLYPCVAEYGUIO-LLVKDONJSA-N -1 0 356.404 -0.482 20 0 FBADRM CN(CC(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(=O)C1CC1 ZINC001347698635 851818506 /nfs/dbraw/zinc/81/85/06/851818506.db2.gz KZLYPCVAEYGUIO-NSHDSACASA-N -1 0 356.404 -0.482 20 0 FBADRM Cn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)C(C)(C)C)nc2n(C)c1=O ZINC001347699108 851818261 /nfs/dbraw/zinc/81/82/61/851818261.db2.gz QIXWYXICYKBMFE-UHFFFAOYSA-N -1 0 354.388 -0.510 20 0 FBADRM O=C(CCCNC(=O)C1CC1)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001347699526 851818364 /nfs/dbraw/zinc/81/83/64/851818364.db2.gz WMBUXFSBRXABIV-GFCCVEGCSA-N -1 0 370.431 -0.044 20 0 FBADRM O=C(CCCNC(=O)C1CC1)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001347699527 851818310 /nfs/dbraw/zinc/81/83/10/851818310.db2.gz WMBUXFSBRXABIV-LBPRGKRZSA-N -1 0 370.431 -0.044 20 0 FBADRM C[C@]1(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)CCC(=O)NC1 ZINC001347699653 851818098 /nfs/dbraw/zinc/81/80/98/851818098.db2.gz YEDNQOVUDJKXMY-HZMBPMFUSA-N -1 0 356.404 -0.434 20 0 FBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)CCC(=O)NC1 ZINC001347699654 851818195 /nfs/dbraw/zinc/81/81/95/851818195.db2.gz YEDNQOVUDJKXMY-IINYFYTJSA-N -1 0 356.404 -0.434 20 0 FBADRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CCC(=O)NC1 ZINC001347699655 851818476 /nfs/dbraw/zinc/81/84/76/851818476.db2.gz YEDNQOVUDJKXMY-QMTHXVAHSA-N -1 0 356.404 -0.434 20 0 FBADRM C[C@]1(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CCC(=O)NC1 ZINC001347699656 851818467 /nfs/dbraw/zinc/81/84/67/851818467.db2.gz YEDNQOVUDJKXMY-YGRLFVJLSA-N -1 0 356.404 -0.434 20 0 FBADRM CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC001347699665 851818092 /nfs/dbraw/zinc/81/80/92/851818092.db2.gz YOQXLEZAPRKUEV-LLVKDONJSA-N -1 0 356.404 -0.271 20 0 FBADRM CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC001347699666 851818181 /nfs/dbraw/zinc/81/81/81/851818181.db2.gz YOQXLEZAPRKUEV-NSHDSACASA-N -1 0 356.404 -0.271 20 0 FBADRM CN(CC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001347700908 851818080 /nfs/dbraw/zinc/81/80/80/851818080.db2.gz COLRJCHXQVVFGF-GHMZBOCLSA-N -1 0 357.436 -0.665 20 0 FBADRM CN(CC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001347700912 851818551 /nfs/dbraw/zinc/81/85/51/851818551.db2.gz COLRJCHXQVVFGF-MNOVXSKESA-N -1 0 357.436 -0.665 20 0 FBADRM CN(CC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001347700913 851818230 /nfs/dbraw/zinc/81/82/30/851818230.db2.gz COLRJCHXQVVFGF-QWRGUYRKSA-N -1 0 357.436 -0.665 20 0 FBADRM CN(CC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001347700914 851818049 /nfs/dbraw/zinc/81/80/49/851818049.db2.gz COLRJCHXQVVFGF-WDEREUQCSA-N -1 0 357.436 -0.665 20 0 FBADRM CCO[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001347714034 851819438 /nfs/dbraw/zinc/81/94/38/851819438.db2.gz FZZCMHDYMHPYKT-JLIMGVALSA-N -1 0 351.363 -0.431 20 0 FBADRM CCO[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001347714035 851819401 /nfs/dbraw/zinc/81/94/01/851819401.db2.gz FZZCMHDYMHPYKT-KYXWUPHJSA-N -1 0 351.363 -0.431 20 0 FBADRM CCCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 ZINC001347714337 851819251 /nfs/dbraw/zinc/81/92/51/851819251.db2.gz LDIBMRKOJBGEEY-BBBLOLIVSA-N -1 0 351.363 -0.429 20 0 FBADRM C[S@](=O)C1(C(=O)[N-]OCC(N)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001347742318 851822141 /nfs/dbraw/zinc/82/21/41/851822141.db2.gz ISQCEINGQMWWEP-DEOSSOPVSA-N -1 0 363.436 -0.332 20 0 FBADRM C[S@@](=O)C1(C(=O)[N-]OCC(N)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001347742319 851822131 /nfs/dbraw/zinc/82/21/31/851822131.db2.gz ISQCEINGQMWWEP-XMMPIXPASA-N -1 0 363.436 -0.332 20 0 FBADRM COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001347743831 851822025 /nfs/dbraw/zinc/82/20/25/851822025.db2.gz UROLMYMRTATUDA-BXKDBHETSA-N -1 0 372.399 -0.168 20 0 FBADRM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001347743832 851821941 /nfs/dbraw/zinc/82/19/41/851821941.db2.gz UROLMYMRTATUDA-CABZTGNLSA-N -1 0 372.399 -0.168 20 0 FBADRM COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001347743833 851821894 /nfs/dbraw/zinc/82/18/94/851821894.db2.gz UROLMYMRTATUDA-JOYOIKCWSA-N -1 0 372.399 -0.168 20 0 FBADRM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001347743834 851822236 /nfs/dbraw/zinc/82/22/36/851822236.db2.gz UROLMYMRTATUDA-SKDRFNHKSA-N -1 0 372.399 -0.168 20 0 FBADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)cn1 ZINC001347760145 851823210 /nfs/dbraw/zinc/82/32/10/851823210.db2.gz UIGPMPXZFQLNOE-UHFFFAOYSA-N -1 0 362.371 -0.334 20 0 FBADRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2nc(S(C)(=O)=O)ncc2C)C1=O ZINC001347763746 851824197 /nfs/dbraw/zinc/82/41/97/851824197.db2.gz QRPBLKYMRYYWMT-CYBMUJFWSA-N -1 0 355.376 -0.446 20 0 FBADRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2nc(S(C)(=O)=O)ncc2C)C1=O ZINC001347763775 851824249 /nfs/dbraw/zinc/82/42/49/851824249.db2.gz QRPBLKYMRYYWMT-ZDUSSCGKSA-N -1 0 355.376 -0.446 20 0 FBADRM CCOC(=O)C(C)(C)O[N-]C(=O)CNS(=O)(=O)c1cn(C)c(C)n1 ZINC001347775470 851825088 /nfs/dbraw/zinc/82/50/88/851825088.db2.gz KSIGFUZVQXETCP-UHFFFAOYSA-N -1 0 362.408 -0.604 20 0 FBADRM O=C(CC1(CC(=O)N2CCOCC2)CCCC1)Nn1c(=O)[n-][nH]c1=O ZINC001347786860 851824983 /nfs/dbraw/zinc/82/49/83/851824983.db2.gz IXWWYDGADPNBPI-UHFFFAOYSA-N -1 0 353.379 -0.041 20 0 FBADRM CC(F)(F)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001347820704 851826864 /nfs/dbraw/zinc/82/68/64/851826864.db2.gz WCWVXQFUXMVMFK-HLTSFMKQSA-N -1 0 359.333 -0.017 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCS(=O)(=O)CC(F)(F)F ZINC001347846822 851827988 /nfs/dbraw/zinc/82/79/88/851827988.db2.gz IXPMLRYKIIGRSN-UHFFFAOYSA-N -1 0 367.309 -0.836 20 0 FBADRM CCOCCn1cc(C(=O)[N-]S(=O)(=O)C2CCN(C(C)=O)CC2)cn1 ZINC001347940401 851834082 /nfs/dbraw/zinc/83/40/82/851834082.db2.gz NSBDUSSXQIFWCH-UHFFFAOYSA-N -1 0 372.447 -0.010 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1c[n-]n2c1nccc2=O ZINC001347978238 851836402 /nfs/dbraw/zinc/83/64/02/851836402.db2.gz MRRXIMIEQKDREE-GXSJLCMTSA-N -1 0 353.404 -0.530 20 0 FBADRM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1c[n-]n2c1nccc2=O ZINC001347978240 851836552 /nfs/dbraw/zinc/83/65/52/851836552.db2.gz MRRXIMIEQKDREE-KOLCDFICSA-N -1 0 353.404 -0.530 20 0 FBADRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1c[n-]n2c1nccc2=O ZINC001347978242 851836341 /nfs/dbraw/zinc/83/63/41/851836341.db2.gz MRRXIMIEQKDREE-MWLCHTKSSA-N -1 0 353.404 -0.530 20 0 FBADRM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1c[n-]n2c1nccc2=O ZINC001347978244 851836448 /nfs/dbraw/zinc/83/64/48/851836448.db2.gz MRRXIMIEQKDREE-ONGXEEELSA-N -1 0 353.404 -0.530 20 0 FBADRM COCCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001347985938 851836493 /nfs/dbraw/zinc/83/64/93/851836493.db2.gz UZLLORHZTBJPER-VFZGTOFNSA-N -1 0 351.363 -0.570 20 0 FBADRM COCC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C(F)(F)F ZINC001348042070 851839814 /nfs/dbraw/zinc/83/98/14/851839814.db2.gz FFDBRBNYQDXGQT-PHDIDXHHSA-N -1 0 365.268 -0.952 20 0 FBADRM O=C(NCCc1nc(=O)o[n-]1)c1c(Br)nc2n1CCOC2 ZINC001348046094 851839737 /nfs/dbraw/zinc/83/97/37/851839737.db2.gz NGQXWJOAIQNSHC-UHFFFAOYSA-N -1 0 358.152 -0.175 20 0 FBADRM CC(=O)N1CCC(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CC1 ZINC001348051914 851840323 /nfs/dbraw/zinc/84/03/23/851840323.db2.gz MDJCMLFSWNVGRY-KRWDZBQOSA-N -1 0 353.419 -0.367 20 0 FBADRM CC(=O)N1CCC(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CC1 ZINC001348051915 851840581 /nfs/dbraw/zinc/84/05/81/851840581.db2.gz MDJCMLFSWNVGRY-QGZVFWFLSA-N -1 0 353.419 -0.367 20 0 FBADRM CS(=O)(=O)c1ccc(C=CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)o1 ZINC001348146852 851845527 /nfs/dbraw/zinc/84/55/27/851845527.db2.gz SCOLUCKOHXWDQI-GQPNGRKGSA-N -1 0 353.360 -0.191 20 0 FBADRM CS(=O)(=O)c1ccc(C=CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)o1 ZINC001348146853 851845562 /nfs/dbraw/zinc/84/55/62/851845562.db2.gz SCOLUCKOHXWDQI-WUWIAWFRSA-N -1 0 353.360 -0.191 20 0 FBADRM CS(=O)(=O)c1ccc(C=CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)o1 ZINC001348146854 851845425 /nfs/dbraw/zinc/84/54/25/851845425.db2.gz SCOLUCKOHXWDQI-XCRNYIDWSA-N -1 0 353.360 -0.191 20 0 FBADRM CS(=O)(=O)c1ccc(C=CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)o1 ZINC001348146855 851845311 /nfs/dbraw/zinc/84/53/11/851845311.db2.gz SCOLUCKOHXWDQI-YWNRKNDBSA-N -1 0 353.360 -0.191 20 0 FBADRM O=c1nc(CNS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)[n-]o1 ZINC001348154083 851845236 /nfs/dbraw/zinc/84/52/36/851845236.db2.gz OELGDEMIYFTIDK-UHFFFAOYSA-N -1 0 350.356 -0.323 20 0 FBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC001348268129 851855445 /nfs/dbraw/zinc/85/54/45/851855445.db2.gz LSWWWXASUYLPBH-UHFFFAOYSA-N -1 0 373.435 -0.966 20 0 FBADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)nc1C ZINC001348269251 851855460 /nfs/dbraw/zinc/85/54/60/851855460.db2.gz BXFOAKBFICMTQH-ADGXKJENSA-N -1 0 369.399 -0.263 20 0 FBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)C1=O ZINC001348269867 851855468 /nfs/dbraw/zinc/85/54/68/851855468.db2.gz FVMFOCYFCSTMOJ-UHFFFAOYSA-N -1 0 355.328 -0.886 20 0 FBADRM CN1CC(=O)Nc2cc(C(=O)[N-]S(=O)(=O)C3CCOCC3)cnc21 ZINC001348269980 851855419 /nfs/dbraw/zinc/85/54/19/851855419.db2.gz HDRKLOYEPWBQQO-UHFFFAOYSA-N -1 0 354.388 -0.292 20 0 FBADRM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1)C(C)C ZINC001348278660 851855217 /nfs/dbraw/zinc/85/52/17/851855217.db2.gz BAWMUGWIYFCVNO-GFCCVEGCSA-N -1 0 353.404 -0.066 20 0 FBADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)Cn2cc(C(=O)OC)cn2)cn1 ZINC001348278892 851855625 /nfs/dbraw/zinc/85/56/25/851855625.db2.gz GALMPENIFOKSKP-UHFFFAOYSA-N -1 0 368.371 -0.032 20 0 FBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cnc3c(cnn3C)c2)O1 ZINC001348280880 851855112 /nfs/dbraw/zinc/85/51/12/851855112.db2.gz MJZMPNULNYKTPW-MNOVXSKESA-N -1 0 368.371 -0.506 20 0 FBADRM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)c1cn2c(n1)COCC2 ZINC001348280971 851855137 /nfs/dbraw/zinc/85/51/37/851855137.db2.gz NAQPQRUNIDBCDM-UHFFFAOYSA-N -1 0 372.384 -0.225 20 0 FBADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1nccn1C ZINC001348282115 851855477 /nfs/dbraw/zinc/85/54/77/851855477.db2.gz PZWVAJSTXVPSIR-CYZMBNFOSA-N -1 0 372.447 -0.047 20 0 FBADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1nccn1C ZINC001348282124 851855102 /nfs/dbraw/zinc/85/51/02/851855102.db2.gz PZWVAJSTXVPSIR-RAIGVLPGSA-N -1 0 372.447 -0.047 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001348282166 851855275 /nfs/dbraw/zinc/85/52/75/851855275.db2.gz QGYZBSVXWXIZCS-GCDPNZCJSA-N -1 0 355.372 -0.746 20 0 FBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC001348283103 851855343 /nfs/dbraw/zinc/85/53/43/851855343.db2.gz TZKWIXWBOXRIML-UHFFFAOYSA-N -1 0 373.435 -0.966 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn2c1OCCC2)c1cn2c(n1)COCC2 ZINC001348283311 851855525 /nfs/dbraw/zinc/85/55/25/851855525.db2.gz VLTLUHAWTDYIIC-UHFFFAOYSA-N -1 0 353.360 -0.489 20 0 FBADRM COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2OC)O1 ZINC001348283313 851855412 /nfs/dbraw/zinc/85/54/12/851855412.db2.gz VMVRIWZSQJKKAK-BDAKNGLRSA-N -1 0 361.376 -0.737 20 0 FBADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(Cn2ccnn2)cc1 ZINC001348284711 851855228 /nfs/dbraw/zinc/85/52/28/851855228.db2.gz YGNZQJJHDNWTQA-JTQLQIEISA-N -1 0 352.372 -0.053 20 0 FBADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(Cn2ccnn2)cc1 ZINC001348284712 851855354 /nfs/dbraw/zinc/85/53/54/851855354.db2.gz YGNZQJJHDNWTQA-SNVBAGLBSA-N -1 0 352.372 -0.053 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cncc(N2CCCC2=O)c1 ZINC001348285772 851855251 /nfs/dbraw/zinc/85/52/51/851855251.db2.gz HHESBQKLMYIJFB-UHFFFAOYSA-N -1 0 354.388 -0.596 20 0 FBADRM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)C2CCC3(CC2)NC(=O)NC3=O)CO1 ZINC001348285820 851856095 /nfs/dbraw/zinc/85/60/95/851856095.db2.gz HMXUVJRDSLWDBA-KGXJWFGYSA-N -1 0 373.431 -0.232 20 0 FBADRM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)C2CCC3(CC2)NC(=O)NC3=O)CO1 ZINC001348285824 851856532 /nfs/dbraw/zinc/85/65/32/851856532.db2.gz HMXUVJRDSLWDBA-VOZQYIJBSA-N -1 0 373.431 -0.232 20 0 FBADRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2)[C@@H]1COC(=O)N1 ZINC001348286595 851855987 /nfs/dbraw/zinc/85/59/87/851855987.db2.gz MKJILCQJLAFFFQ-JTQLQIEISA-N -1 0 360.369 -0.972 20 0 FBADRM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)[N-]S(=O)(=O)c1cn(C)cn1 ZINC001348287734 851856255 /nfs/dbraw/zinc/85/62/55/851856255.db2.gz VTBJDHZSHPASMN-UHFFFAOYSA-N -1 0 373.435 -0.966 20 0 FBADRM CC(=O)N1CCC(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC001348309471 851857592 /nfs/dbraw/zinc/85/75/92/851857592.db2.gz UDVPXANFOFIHDH-BXUZGUMPSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(=O)N1CCC(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC001348309472 851857448 /nfs/dbraw/zinc/85/74/48/851857448.db2.gz UDVPXANFOFIHDH-FZMZJTMJSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(=O)N1CCC(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC001348309473 851857267 /nfs/dbraw/zinc/85/72/67/851857267.db2.gz UDVPXANFOFIHDH-RISCZKNCSA-N -1 0 353.419 -0.070 20 0 FBADRM CC(=O)N1CCC(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC001348309475 851857111 /nfs/dbraw/zinc/85/71/11/851857111.db2.gz UDVPXANFOFIHDH-SMDDNHRTSA-N -1 0 353.419 -0.070 20 0 FBADRM Cn1cnnc1N1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1 ZINC001348373853 851863520 /nfs/dbraw/zinc/86/35/20/851863520.db2.gz ZYJMVPXAPPCJEL-UHFFFAOYSA-N -1 0 365.419 -0.456 20 0 FBADRM O=C([O-])[C@]1(N2CCN(S(=O)(=O)N3CCCCCC3)CC2)CCOC1 ZINC001348421793 851865853 /nfs/dbraw/zinc/86/58/53/851865853.db2.gz AEQVJDUDJTVOJJ-HNNXBMFYSA-N -1 0 361.464 -0.032 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(S(=O)(=O)N3CCCCCC3)CC2)CCOC1 ZINC001348421794 851865931 /nfs/dbraw/zinc/86/59/31/851865931.db2.gz AEQVJDUDJTVOJJ-OAHLLOKOSA-N -1 0 361.464 -0.032 20 0 FBADRM Cc1ncc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@H](c3cncn3C)C2)n1C ZINC001348422629 851866174 /nfs/dbraw/zinc/86/61/74/851866174.db2.gz KUYOSDNFWGZAMG-QWRGUYRKSA-N -1 0 353.404 -0.049 20 0 FBADRM C[C@H]1CCCCN1S(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001348422873 851866159 /nfs/dbraw/zinc/86/61/59/851866159.db2.gz LOGFWYVMMCUCIT-DZGCQCFKSA-N -1 0 361.464 -0.033 20 0 FBADRM C[C@@H]1CCCCN1S(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001348422874 851865914 /nfs/dbraw/zinc/86/59/14/851865914.db2.gz LOGFWYVMMCUCIT-HIFRSBDPSA-N -1 0 361.464 -0.033 20 0 FBADRM C[C@@H]1CCCCN1S(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001348422875 851866045 /nfs/dbraw/zinc/86/60/45/851866045.db2.gz LOGFWYVMMCUCIT-UKRRQHHQSA-N -1 0 361.464 -0.033 20 0 FBADRM C[C@H]1CCCCN1S(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001348422876 851865993 /nfs/dbraw/zinc/86/59/93/851865993.db2.gz LOGFWYVMMCUCIT-ZFWWWQNUSA-N -1 0 361.464 -0.033 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(S(=O)(=O)CC[C@@H]3CCCO3)CC2)CCOC1 ZINC001348423642 851867190 /nfs/dbraw/zinc/86/71/90/851867190.db2.gz URBFQMCUTLBVNE-DZGCQCFKSA-N -1 0 362.448 -0.253 20 0 FBADRM O=C([O-])[C@]1(N2CCN(S(=O)(=O)CC[C@H]3CCCO3)CC2)CCOC1 ZINC001348423657 851866891 /nfs/dbraw/zinc/86/68/91/851866891.db2.gz URBFQMCUTLBVNE-HIFRSBDPSA-N -1 0 362.448 -0.253 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(S(=O)(=O)CC[C@H]3CCCO3)CC2)CCOC1 ZINC001348423658 851866646 /nfs/dbraw/zinc/86/66/46/851866646.db2.gz URBFQMCUTLBVNE-UKRRQHHQSA-N -1 0 362.448 -0.253 20 0 FBADRM O=C([O-])[C@]1(N2CCN(S(=O)(=O)CC[C@@H]3CCCO3)CC2)CCOC1 ZINC001348423660 851867187 /nfs/dbraw/zinc/86/71/87/851867187.db2.gz URBFQMCUTLBVNE-ZFWWWQNUSA-N -1 0 362.448 -0.253 20 0 FBADRM Cc1cnc(N)c(S(=O)(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c1 ZINC001348423706 851866945 /nfs/dbraw/zinc/86/69/45/851866945.db2.gz VDHAGFKWDXVYBM-HNNXBMFYSA-N -1 0 370.431 -0.478 20 0 FBADRM Cc1cnc(N)c(S(=O)(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c1 ZINC001348423713 851866705 /nfs/dbraw/zinc/86/67/05/851866705.db2.gz VDHAGFKWDXVYBM-OAHLLOKOSA-N -1 0 370.431 -0.478 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN2CCOC[C@]2(CO)C1 ZINC001348442405 851867998 /nfs/dbraw/zinc/86/79/98/851867998.db2.gz RHKNQTOVUOSIFC-SMDDNHRTSA-N -1 0 367.368 -0.405 20 0 FBADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2C[C@@H](O)C2)o1 ZINC001348446626 851867738 /nfs/dbraw/zinc/86/77/38/851867738.db2.gz INYFCNATNNYQEF-PHIMTYICSA-N -1 0 367.449 -0.195 20 0 FBADRM CCN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001348447090 851867907 /nfs/dbraw/zinc/86/79/07/851867907.db2.gz LZNUIFXSNSHGET-SRVKXCTJSA-N -1 0 360.432 -0.409 20 0 FBADRM CCN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001348447092 851867941 /nfs/dbraw/zinc/86/79/41/851867941.db2.gz LZNUIFXSNSHGET-TUAOUCFPSA-N -1 0 360.432 -0.409 20 0 FBADRM CCN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001348447094 851867944 /nfs/dbraw/zinc/86/79/44/851867944.db2.gz LZNUIFXSNSHGET-UTUOFQBUSA-N -1 0 360.432 -0.409 20 0 FBADRM CCN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001348447095 851867854 /nfs/dbraw/zinc/86/78/54/851867854.db2.gz LZNUIFXSNSHGET-WOPDTQHZSA-N -1 0 360.432 -0.409 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC[C@H]1C(=O)[O-] ZINC001348448827 851868466 /nfs/dbraw/zinc/86/84/66/851868466.db2.gz XSFGIXKENWRRRF-LPWJVIDDSA-N -1 0 351.403 -0.317 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC[C@@H]1C(=O)[O-] ZINC001348448829 851868911 /nfs/dbraw/zinc/86/89/11/851868911.db2.gz XSFGIXKENWRRRF-NDBYEHHHSA-N -1 0 351.403 -0.317 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)CC[C@@H]1C(=O)[O-] ZINC001348448831 851868881 /nfs/dbraw/zinc/86/88/81/851868881.db2.gz XSFGIXKENWRRRF-VOAKCMCISA-N -1 0 351.403 -0.317 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)CC[C@H]1C(=O)[O-] ZINC001348448833 851868902 /nfs/dbraw/zinc/86/89/02/851868902.db2.gz XSFGIXKENWRRRF-XQHKEYJVSA-N -1 0 351.403 -0.317 20 0 FBADRM CCOC1(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CCOCC1 ZINC001348483670 851870472 /nfs/dbraw/zinc/87/04/72/851870472.db2.gz ZXYSJPALBFVRTC-INIZCTEOSA-N -1 0 356.419 -0.040 20 0 FBADRM CCOC1(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CCOCC1 ZINC001348483671 851870704 /nfs/dbraw/zinc/87/07/04/851870704.db2.gz ZXYSJPALBFVRTC-MRXNPFEDSA-N -1 0 356.419 -0.040 20 0 FBADRM CS(=O)(=O)NCc1ccc(C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)o1 ZINC001348489708 851870689 /nfs/dbraw/zinc/87/06/89/851870689.db2.gz AAACJFBVYHKUHD-AWEZNQCLSA-N -1 0 360.388 -0.060 20 0 FBADRM CS(=O)(=O)NCc1ccc(C(=O)NC[C@]2(C(=O)[O-])CCCOC2)o1 ZINC001348489709 851870630 /nfs/dbraw/zinc/87/06/30/851870630.db2.gz AAACJFBVYHKUHD-CQSZACIVSA-N -1 0 360.388 -0.060 20 0 FBADRM CCN1CCOC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC001348490296 851870498 /nfs/dbraw/zinc/87/04/98/851870498.db2.gz PBDFIWNWFAHTBL-CYBMUJFWSA-N -1 0 371.415 -0.291 20 0 FBADRM CCN1CCOC[C@H]1C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC001348490302 851870701 /nfs/dbraw/zinc/87/07/01/851870701.db2.gz PBDFIWNWFAHTBL-ZDUSSCGKSA-N -1 0 371.415 -0.291 20 0 FBADRM CN1CCN(C(=O)CNC(=O)c2ccccc2[N-]S(C)(=O)=O)CC1 ZINC001348582714 851873573 /nfs/dbraw/zinc/87/35/73/851873573.db2.gz VFSCOVSVPJZIRZ-UHFFFAOYSA-N -1 0 354.432 -0.438 20 0 FBADRM CSCC[C@H](NC(=O)C(=O)Nc1ccccc1CC(=O)[O-])C(N)=O ZINC001348627542 851875995 /nfs/dbraw/zinc/87/59/95/851875995.db2.gz VECZSLCPSSBSLE-NSHDSACASA-N -1 0 353.400 -0.025 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC001348790085 851886956 /nfs/dbraw/zinc/88/69/56/851886956.db2.gz AHMZMDDCURIESR-JTQLQIEISA-N -1 0 357.388 -0.098 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC001348790086 851886968 /nfs/dbraw/zinc/88/69/68/851886968.db2.gz AHMZMDDCURIESR-SNVBAGLBSA-N -1 0 357.388 -0.098 20 0 FBADRM Cn1c(Cl)ncc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001348790132 851887034 /nfs/dbraw/zinc/88/70/34/851887034.db2.gz BDEJRQFTGSBJAV-SSDOTTSWSA-N -1 0 371.824 -0.664 20 0 FBADRM Cn1c(Cl)ncc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001348790150 851886614 /nfs/dbraw/zinc/88/66/14/851886614.db2.gz BDEJRQFTGSBJAV-ZETCQYMHSA-N -1 0 371.824 -0.664 20 0 FBADRM COC(=O)CC[C@@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC001348790575 851886802 /nfs/dbraw/zinc/88/68/02/851886802.db2.gz FNGCVZNVXVWQHX-SNVBAGLBSA-N -1 0 366.392 -0.934 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])cc1 ZINC001348791328 851886601 /nfs/dbraw/zinc/88/66/01/851886601.db2.gz NYYLAZARIULLRY-AWEZNQCLSA-N -1 0 356.400 -0.047 20 0 FBADRM CC(=O)c1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])cc1 ZINC001348791330 851887138 /nfs/dbraw/zinc/88/71/38/851887138.db2.gz NYYLAZARIULLRY-CQSZACIVSA-N -1 0 356.400 -0.047 20 0 FBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC001348792165 851887155 /nfs/dbraw/zinc/88/71/55/851887155.db2.gz VEDMWEWJIWSTEK-GFCCVEGCSA-N -1 0 354.384 -0.364 20 0 FBADRM Cn1cnc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])c1Cl ZINC001348792622 851886556 /nfs/dbraw/zinc/88/65/56/851886556.db2.gz YZRUQYBNFSUCOB-SSDOTTSWSA-N -1 0 371.824 -0.664 20 0 FBADRM Cn1cnc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])c1Cl ZINC001348792623 851887856 /nfs/dbraw/zinc/88/78/56/851887856.db2.gz YZRUQYBNFSUCOB-ZETCQYMHSA-N -1 0 371.824 -0.664 20 0 FBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001348800832 851887826 /nfs/dbraw/zinc/88/78/26/851887826.db2.gz GJVKUXOPGJIJAI-GHMZBOCLSA-N -1 0 357.450 -0.702 20 0 FBADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001348800833 851887912 /nfs/dbraw/zinc/88/79/12/851887912.db2.gz GJVKUXOPGJIJAI-MNOVXSKESA-N -1 0 357.450 -0.702 20 0 FBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001348800834 851888005 /nfs/dbraw/zinc/88/80/05/851888005.db2.gz GJVKUXOPGJIJAI-QWRGUYRKSA-N -1 0 357.450 -0.702 20 0 FBADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001348800835 851888031 /nfs/dbraw/zinc/88/80/31/851888031.db2.gz GJVKUXOPGJIJAI-WDEREUQCSA-N -1 0 357.450 -0.702 20 0 FBADRM Cc1oc(C)c(S(=O)(=O)N(C)CCNS(C)(=O)=O)c1C(=O)[O-] ZINC001348801728 851888043 /nfs/dbraw/zinc/88/80/43/851888043.db2.gz LOPMFXRNWCUADY-UHFFFAOYSA-N -1 0 354.406 -0.236 20 0 FBADRM Cn1cc(C(=O)[O-])c([C@@H]2CCCN(S(=O)(=O)c3cnnn3C)C2)n1 ZINC001348801837 851888035 /nfs/dbraw/zinc/88/80/35/851888035.db2.gz NNNVYZLNGFFDTO-SECBINFHSA-N -1 0 354.392 -0.185 20 0 FBADRM Cn1cc(C(=O)[O-])c([C@H]2CCCN(S(=O)(=O)c3cnnn3C)C2)n1 ZINC001348801838 851887895 /nfs/dbraw/zinc/88/78/95/851887895.db2.gz NNNVYZLNGFFDTO-VIFPVBQESA-N -1 0 354.392 -0.185 20 0 FBADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)CN(C(C)=O)C2)C(=O)[O-] ZINC001348802111 851887877 /nfs/dbraw/zinc/88/78/77/851887877.db2.gz OWWSHRILHSVRJV-ZDUSSCGKSA-N -1 0 370.383 -0.157 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1F ZINC001348847443 851889689 /nfs/dbraw/zinc/88/96/89/851889689.db2.gz KFXOEOSRKIIOLP-UHFFFAOYSA-N -1 0 354.338 -0.350 20 0 FBADRM O=C([O-])[C@]1(CC(=O)N2CCN(C(=O)N3CCOCC3)CC2)CCOC1 ZINC001348884160 851892702 /nfs/dbraw/zinc/89/27/02/851892702.db2.gz UDQKRKRWBPIEAU-INIZCTEOSA-N -1 0 355.391 -0.536 20 0 FBADRM O=C([O-])[C@@]1(CC(=O)N2CCN(C(=O)N3CCOCC3)CC2)CCOC1 ZINC001348884161 851892430 /nfs/dbraw/zinc/89/24/30/851892430.db2.gz UDQKRKRWBPIEAU-MRXNPFEDSA-N -1 0 355.391 -0.536 20 0 FBADRM Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])C2)cn1 ZINC001348945418 851896079 /nfs/dbraw/zinc/89/60/79/851896079.db2.gz YUYZQNBIWJCLSF-LLVKDONJSA-N -1 0 351.407 -0.268 20 0 FBADRM Cn1cc(N2CC[C@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])C2)cn1 ZINC001348945420 851895569 /nfs/dbraw/zinc/89/55/69/851895569.db2.gz YUYZQNBIWJCLSF-NSHDSACASA-N -1 0 351.407 -0.268 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)NCCn2ccnc2)C1 ZINC001349019197 851898781 /nfs/dbraw/zinc/89/87/81/851898781.db2.gz CEDDFZJMEKYFKK-CYBMUJFWSA-N -1 0 361.324 -0.331 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)NCCn2ccnc2)C1 ZINC001349019198 851898726 /nfs/dbraw/zinc/89/87/26/851898726.db2.gz CEDDFZJMEKYFKK-ZDUSSCGKSA-N -1 0 361.324 -0.331 20 0 FBADRM O=C([N-]OCCC(F)(F)F)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC001349083356 851905290 /nfs/dbraw/zinc/90/52/90/851905290.db2.gz YHEJRLNGNMXUOM-JTQLQIEISA-N -1 0 367.324 -0.117 20 0 FBADRM O=C([N-]OCCC(F)(F)F)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC001349083357 851905214 /nfs/dbraw/zinc/90/52/14/851905214.db2.gz YHEJRLNGNMXUOM-SNVBAGLBSA-N -1 0 367.324 -0.117 20 0 FBADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)o1 ZINC001349093987 851906470 /nfs/dbraw/zinc/90/64/70/851906470.db2.gz XSFXPDAPZWYFMC-UHFFFAOYSA-N -1 0 373.387 -0.264 20 0 FBADRM CN(CCNS(C)(=O)=O)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001349107987 851907526 /nfs/dbraw/zinc/90/75/26/851907526.db2.gz HEAVFJSRSMIRDC-UHFFFAOYSA-N -1 0 350.418 -0.304 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCCOC1 ZINC001349109780 851907638 /nfs/dbraw/zinc/90/76/38/851907638.db2.gz NDLWGKUALMYZPU-GRYCIOLGSA-N -1 0 369.461 -0.390 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCCOC1 ZINC001349109782 851907502 /nfs/dbraw/zinc/90/75/02/851907502.db2.gz NDLWGKUALMYZPU-IJLUTSLNSA-N -1 0 369.461 -0.390 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCCOC1 ZINC001349109784 851907356 /nfs/dbraw/zinc/90/73/56/851907356.db2.gz NDLWGKUALMYZPU-QJPTWQEYSA-N -1 0 369.461 -0.390 20 0 FBADRM O=C([O-])[C@H](NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCCOC1 ZINC001349109786 851907535 /nfs/dbraw/zinc/90/75/35/851907535.db2.gz NDLWGKUALMYZPU-SDDRHHMPSA-N -1 0 369.461 -0.390 20 0 FBADRM CN(CCNS(C)(=O)=O)S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC001349109877 851907173 /nfs/dbraw/zinc/90/71/73/851907173.db2.gz OAGNZKRVDBWDGY-VMPITWQZSA-N -1 0 362.429 -0.046 20 0 FBADRM CN(CCNS(C)(=O)=O)S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC001349109878 851907815 /nfs/dbraw/zinc/90/78/15/851907815.db2.gz OAGNZKRVDBWDGY-YVMONPNESA-N -1 0 362.429 -0.046 20 0 FBADRM O=C([O-])C[C@]1(NS(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CCOC1 ZINC001349109912 851907839 /nfs/dbraw/zinc/90/78/39/851907839.db2.gz CFQJONDQYPRHAP-CMPLNLGQSA-N -1 0 355.434 -0.636 20 0 FBADRM O=C([O-])C[C@@]1(NS(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CCOC1 ZINC001349109913 851907658 /nfs/dbraw/zinc/90/76/58/851907658.db2.gz CFQJONDQYPRHAP-JQWIXIFHSA-N -1 0 355.434 -0.636 20 0 FBADRM O=C([O-])C[C@@]1(NS(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CCOC1 ZINC001349109914 851907408 /nfs/dbraw/zinc/90/74/08/851907408.db2.gz CFQJONDQYPRHAP-PWSUYJOCSA-N -1 0 355.434 -0.636 20 0 FBADRM O=C([O-])C[C@]1(NS(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CCOC1 ZINC001349109915 851907768 /nfs/dbraw/zinc/90/77/68/851907768.db2.gz CFQJONDQYPRHAP-ZYHUDNBSSA-N -1 0 355.434 -0.636 20 0 FBADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)CCNS(C)(=O)=O ZINC001349109964 851907595 /nfs/dbraw/zinc/90/75/95/851907595.db2.gz PEWHNUHLJJVEJX-UHFFFAOYSA-N -1 0 366.417 -0.437 20 0 FBADRM O=C([O-])Cn1cc(S(=O)(=O)NCC2CCS(=O)(=O)CC2)cn1 ZINC001349111525 851907794 /nfs/dbraw/zinc/90/77/94/851907794.db2.gz SYSLMVNQQRSKHQ-UHFFFAOYSA-N -1 0 351.406 -0.929 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC001349114400 851907366 /nfs/dbraw/zinc/90/73/66/851907366.db2.gz UFTVBPLBXCPPMD-NWDGAFQWSA-N -1 0 362.452 -0.884 20 0 FBADRM O=C([O-])C[C@@]1(NS(=O)(=O)CCCN2CCOCC2)CCCOC1 ZINC001349114939 851907577 /nfs/dbraw/zinc/90/75/77/851907577.db2.gz YFMCXWNJNDOFKZ-AWEZNQCLSA-N -1 0 350.437 -0.348 20 0 FBADRM O=C([O-])C[C@]1(NS(=O)(=O)CCCN2CCOCC2)CCCOC1 ZINC001349114941 851907212 /nfs/dbraw/zinc/90/72/12/851907212.db2.gz YFMCXWNJNDOFKZ-CQSZACIVSA-N -1 0 350.437 -0.348 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)NCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001349240081 851914451 /nfs/dbraw/zinc/91/44/51/851914451.db2.gz FSSLIOSUXUAOTB-MNOVXSKESA-N -1 0 355.395 -0.483 20 0 FBADRM Cn1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(CNC(N)=O)cc2)n1 ZINC001349294351 851918158 /nfs/dbraw/zinc/91/81/58/851918158.db2.gz FWKLKWAXKYIRJO-UHFFFAOYSA-N -1 0 351.388 -0.364 20 0 FBADRM Cc1nccc(CCC(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)n1 ZINC001349306249 851919308 /nfs/dbraw/zinc/91/93/08/851919308.db2.gz IVSXMSCXNUVEAP-UHFFFAOYSA-N -1 0 351.388 -0.340 20 0 FBADRM Cn1nc(C2CC2)nc1CC(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC001349308011 851919090 /nfs/dbraw/zinc/91/90/90/851919090.db2.gz VBTJDZZUHZKXLA-UHFFFAOYSA-N -1 0 350.404 -0.117 20 0 FBADRM CNC(=O)NC1CCN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CC1 ZINC001349318097 851919104 /nfs/dbraw/zinc/91/91/04/851919104.db2.gz GKVWABQCMPJCAT-UHFFFAOYSA-N -1 0 354.407 -0.380 20 0 FBADRM CN(CC(=O)N1CCOCC1)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001349318529 851919624 /nfs/dbraw/zinc/91/96/24/851919624.db2.gz JXNIVMVLUHEPCY-UHFFFAOYSA-N -1 0 355.391 -0.983 20 0 FBADRM CC(=O)N1CC[C@H](CN(C)C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC001349320898 851920445 /nfs/dbraw/zinc/92/04/45/851920445.db2.gz XIDUNRRZMWMTJO-BNOWGMLFSA-N -1 0 353.419 -0.118 20 0 FBADRM CC(=O)N1CC[C@H](CN(C)C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)C1 ZINC001349320900 851920538 /nfs/dbraw/zinc/92/05/38/851920538.db2.gz XIDUNRRZMWMTJO-IACUBPJLSA-N -1 0 353.419 -0.118 20 0 FBADRM CC(=O)N1CC[C@H](CN(C)C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)C1 ZINC001349320904 851920507 /nfs/dbraw/zinc/92/05/07/851920507.db2.gz XIDUNRRZMWMTJO-MRVWCRGKSA-N -1 0 353.419 -0.118 20 0 FBADRM CC(=O)N1CC[C@H](CN(C)C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC001349320905 851920623 /nfs/dbraw/zinc/92/06/23/851920623.db2.gz XIDUNRRZMWMTJO-YUTCNCBUSA-N -1 0 353.419 -0.118 20 0 FBADRM CC(=O)NCCN(C)C(=O)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC001349332167 851921170 /nfs/dbraw/zinc/92/11/70/851921170.db2.gz VPGRSMYRQUWMEY-UHFFFAOYSA-N -1 0 365.415 -0.050 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CC3(C2)C[C@H](O)CNC3=O)c1 ZINC001349351295 851923144 /nfs/dbraw/zinc/92/31/44/851923144.db2.gz JHXYWLPXDOSIPT-APXPCNQMSA-N -1 0 352.412 -0.488 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CC3(C2)C[C@H](O)CNC3=O)c1 ZINC001349351297 851923532 /nfs/dbraw/zinc/92/35/32/851923532.db2.gz JHXYWLPXDOSIPT-BUBHHJDNSA-N -1 0 352.412 -0.488 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CC3(C2)C[C@@H](O)CNC3=O)c1 ZINC001349351299 851922945 /nfs/dbraw/zinc/92/29/45/851922945.db2.gz JHXYWLPXDOSIPT-JNDILOIQSA-N -1 0 352.412 -0.488 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N2CC3(C2)C[C@@H](O)CNC3=O)c1 ZINC001349351301 851923439 /nfs/dbraw/zinc/92/34/39/851923439.db2.gz JHXYWLPXDOSIPT-YDGUKXNOSA-N -1 0 352.412 -0.488 20 0 FBADRM Cc1c([C@H](C)NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)cnn1C ZINC001349353997 851923230 /nfs/dbraw/zinc/92/32/30/851923230.db2.gz AWGJSMWGFCNWNG-JTQLQIEISA-N -1 0 352.391 -0.097 20 0 FBADRM Cc1c([C@@H](C)NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)cnn1C ZINC001349353998 851923323 /nfs/dbraw/zinc/92/33/23/851923323.db2.gz AWGJSMWGFCNWNG-SNVBAGLBSA-N -1 0 352.391 -0.097 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C1 ZINC001349354005 851923052 /nfs/dbraw/zinc/92/30/52/851923052.db2.gz BFZPTFMNRCUHCO-HZSPNIEDSA-N -1 0 353.419 -0.321 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC001349354006 851923540 /nfs/dbraw/zinc/92/35/40/851923540.db2.gz BFZPTFMNRCUHCO-RDBSUJKOSA-N -1 0 353.419 -0.321 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)CCOCC1 ZINC001349354007 851922958 /nfs/dbraw/zinc/92/29/58/851922958.db2.gz BGAJEFFOGZPNEY-LLVKDONJSA-N -1 0 350.375 -0.619 20 0 FBADRM O=C([O-])C1(CNC(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)CCOCC1 ZINC001349354008 851923580 /nfs/dbraw/zinc/92/35/80/851923580.db2.gz BGAJEFFOGZPNEY-NSHDSACASA-N -1 0 350.375 -0.619 20 0 FBADRM CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC001349354234 851922768 /nfs/dbraw/zinc/92/27/68/851922768.db2.gz DKZJHIOXDCSGHH-GFCCVEGCSA-N -1 0 356.423 -0.974 20 0 FBADRM CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC001349354236 851924505 /nfs/dbraw/zinc/92/45/05/851924505.db2.gz DKZJHIOXDCSGHH-LBPRGKRZSA-N -1 0 356.423 -0.974 20 0 FBADRM CC(C)(CNC(=O)C(=O)NCCCC(=O)[O-])[C@H]1COCC12OCCO2 ZINC001349354532 851924302 /nfs/dbraw/zinc/92/43/02/851924302.db2.gz GZGMRVLEMAEVAT-LLVKDONJSA-N -1 0 358.391 -0.501 20 0 FBADRM CC(C)(CNC(=O)C(=O)NCCCC(=O)[O-])[C@@H]1COCC12OCCO2 ZINC001349354533 851924545 /nfs/dbraw/zinc/92/45/45/851924545.db2.gz GZGMRVLEMAEVAT-NSHDSACASA-N -1 0 358.391 -0.501 20 0 FBADRM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001349354575 851924556 /nfs/dbraw/zinc/92/45/56/851924556.db2.gz HHXQTFHJWLRVEK-GHMZBOCLSA-N -1 0 355.391 -0.985 20 0 FBADRM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001349354576 851924090 /nfs/dbraw/zinc/92/40/90/851924090.db2.gz HHXQTFHJWLRVEK-MNOVXSKESA-N -1 0 355.391 -0.985 20 0 FBADRM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001349354577 851924416 /nfs/dbraw/zinc/92/44/16/851924416.db2.gz HHXQTFHJWLRVEK-QWRGUYRKSA-N -1 0 355.391 -0.985 20 0 FBADRM CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001349354578 851924056 /nfs/dbraw/zinc/92/40/56/851924056.db2.gz HHXQTFHJWLRVEK-WDEREUQCSA-N -1 0 355.391 -0.985 20 0 FBADRM COCCCNC(=O)C1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC001349355081 851924583 /nfs/dbraw/zinc/92/45/83/851924583.db2.gz LNGYJBSQNPKFHU-UHFFFAOYSA-N -1 0 357.407 -0.641 20 0 FBADRM Cn1cc(CCCNC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)cn1 ZINC001349355515 851924497 /nfs/dbraw/zinc/92/44/97/851924497.db2.gz NNOZLHAADPTYQP-UHFFFAOYSA-N -1 0 352.391 -0.534 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)C1 ZINC001349357063 851924558 /nfs/dbraw/zinc/92/45/58/851924558.db2.gz TXRGMMZDSSHDIW-MCIONIFRSA-N -1 0 353.419 -0.463 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC001349357066 851924487 /nfs/dbraw/zinc/92/44/87/851924487.db2.gz TXRGMMZDSSHDIW-MJBXVCDLSA-N -1 0 353.419 -0.463 20 0 FBADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC(N3CCNC3=O)CC2)C1 ZINC001349358633 851924031 /nfs/dbraw/zinc/92/40/31/851924031.db2.gz ZKCCWILVJRWCKT-MNOVXSKESA-N -1 0 352.391 -0.628 20 0 FBADRM COCCOCCS(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cncn2C)C1 ZINC001349375552 851925424 /nfs/dbraw/zinc/92/54/24/851925424.db2.gz IEGUHHNZBZMWJQ-RYUDHWBXSA-N -1 0 361.420 -0.487 20 0 FBADRM O=C(CSc1n[n-]c(=S)s1)N1CCN2CCOC[C@]2(CO)C1 ZINC001349483656 851931340 /nfs/dbraw/zinc/93/13/40/851931340.db2.gz CKWOVMQBYZRUOL-GFCCVEGCSA-N -1 0 362.502 -0.176 20 0 FBADRM O=C(CSc1n[n-]c(=S)s1)N1CCN2CCOC[C@@]2(CO)C1 ZINC001349483663 851931039 /nfs/dbraw/zinc/93/10/39/851931039.db2.gz CKWOVMQBYZRUOL-LBPRGKRZSA-N -1 0 362.502 -0.176 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN2CCOC[C@]2(CO)C1 ZINC001349483744 851931315 /nfs/dbraw/zinc/93/13/15/851931315.db2.gz CNLVTEYEVWAHPP-CYBMUJFWSA-N -1 0 353.341 -0.651 20 0 FBADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN2CCOC[C@@]2(CO)C1 ZINC001349483745 851931428 /nfs/dbraw/zinc/93/14/28/851931428.db2.gz CNLVTEYEVWAHPP-ZDUSSCGKSA-N -1 0 353.341 -0.651 20 0 FBADRM Cn1ncc(Br)c1CNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001349496715 851932203 /nfs/dbraw/zinc/93/22/03/851932203.db2.gz JVEJGPQRZLSAAD-MRVPVSSYSA-N -1 0 361.196 -0.117 20 0 FBADRM Cn1ncc(Br)c1CNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001349496716 851932413 /nfs/dbraw/zinc/93/24/13/851932413.db2.gz JVEJGPQRZLSAAD-QMMMGPOBSA-N -1 0 361.196 -0.117 20 0 FBADRM CNC(=O)c1ccc(CS(=O)(=O)N2CCC[N@H+](CC(=O)[O-])CC2)cc1 ZINC001349508973 851933229 /nfs/dbraw/zinc/93/32/29/851933229.db2.gz BGYYVNGFYDFEEM-UHFFFAOYSA-N -1 0 369.443 -0.032 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@H](Cc2ncccn2)C(=O)[O-])CC1 ZINC001349511216 851932985 /nfs/dbraw/zinc/93/29/85/851932985.db2.gz WONHUFNDRRYVRQ-LLVKDONJSA-N -1 0 372.403 -0.808 20 0 FBADRM COC(=O)C1CCN(S(=O)(=O)N[C@@H](Cc2ncccn2)C(=O)[O-])CC1 ZINC001349511221 851933183 /nfs/dbraw/zinc/93/31/83/851933183.db2.gz WONHUFNDRRYVRQ-NSHDSACASA-N -1 0 372.403 -0.808 20 0 FBADRM COCCN(C(=O)CN(CC(=O)[O-])CC1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001349511349 851933017 /nfs/dbraw/zinc/93/30/17/851933017.db2.gz YISPHDFDLUEZNQ-CYBMUJFWSA-N -1 0 362.448 -0.555 20 0 FBADRM COCCN(C(=O)CN(CC(=O)[O-])CC1CC1)[C@H]1CCS(=O)(=O)C1 ZINC001349511351 851933095 /nfs/dbraw/zinc/93/30/95/851933095.db2.gz YISPHDFDLUEZNQ-ZDUSSCGKSA-N -1 0 362.448 -0.555 20 0 FBADRM O=C([O-])c1occc1CN1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC001349532952 851935775 /nfs/dbraw/zinc/93/57/75/851935775.db2.gz AQUDKIBDAZPNHL-UHFFFAOYSA-N -1 0 359.404 -0.328 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC001349571659 851938140 /nfs/dbraw/zinc/93/81/40/851938140.db2.gz ADKWVJKJEDTDCN-UHFFFAOYSA-N -1 0 355.372 -0.861 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc([C@H]2CCCOC2)nn1C ZINC001349571675 851938156 /nfs/dbraw/zinc/93/81/56/851938156.db2.gz AOLXWEVEJMCVSD-JTQLQIEISA-N -1 0 353.379 -0.564 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc([C@@H]2CCCOC2)nn1C ZINC001349571678 851938087 /nfs/dbraw/zinc/93/80/87/851938087.db2.gz AOLXWEVEJMCVSD-SNVBAGLBSA-N -1 0 353.379 -0.564 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)cc1C ZINC001349571805 851938699 /nfs/dbraw/zinc/93/86/99/851938699.db2.gz CKOCJAKPBWNIDM-UHFFFAOYSA-N -1 0 357.388 -0.479 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1C ZINC001349572063 851938487 /nfs/dbraw/zinc/93/84/87/851938487.db2.gz FKGWDFBROQMYHO-UHFFFAOYSA-N -1 0 357.388 -0.479 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(CS(=O)(=O)CC)cc1 ZINC001349572604 851938440 /nfs/dbraw/zinc/93/84/40/851938440.db2.gz KOHITEJFXKDSSH-UHFFFAOYSA-N -1 0 371.415 -0.256 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC001349573270 851938408 /nfs/dbraw/zinc/93/84/08/851938408.db2.gz NWMNRQGVVDIRGC-UHFFFAOYSA-N -1 0 371.415 -0.604 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C ZINC001349573480 851938620 /nfs/dbraw/zinc/93/86/20/851938620.db2.gz OOIHQYKZOKMQKL-UHFFFAOYSA-N -1 0 354.338 -0.350 20 0 FBADRM Cn1nnc(CN2CCN(S(=O)(=O)c3ccc(C(=O)[O-])cc3)CC2)n1 ZINC001349593166 851939518 /nfs/dbraw/zinc/93/95/18/851939518.db2.gz ZGBNXZAHVGCJNA-UHFFFAOYSA-N -1 0 366.403 -0.585 20 0 FBADRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)CCN3CCOC3=O)CC2)C1 ZINC001349674599 851946356 /nfs/dbraw/zinc/94/63/56/851946356.db2.gz PSYOXOSYTKTOCC-LLVKDONJSA-N -1 0 353.375 -0.247 20 0 FBADRM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)CCN3CCOC3=O)CC2)C1 ZINC001349674600 851946042 /nfs/dbraw/zinc/94/60/42/851946042.db2.gz PSYOXOSYTKTOCC-NSHDSACASA-N -1 0 353.375 -0.247 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC001349686746 851947219 /nfs/dbraw/zinc/94/72/19/851947219.db2.gz BURCXLWJWUTOKH-BXKDBHETSA-N -1 0 371.381 -0.567 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC001349686770 851947501 /nfs/dbraw/zinc/94/75/01/851947501.db2.gz BURCXLWJWUTOKH-CABZTGNLSA-N -1 0 371.381 -0.567 20 0 FBADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC001349686772 851947193 /nfs/dbraw/zinc/94/71/93/851947193.db2.gz BURCXLWJWUTOKH-JOYOIKCWSA-N -1 0 371.381 -0.567 20 0 FBADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC001349686774 851947637 /nfs/dbraw/zinc/94/76/37/851947637.db2.gz BURCXLWJWUTOKH-SKDRFNHKSA-N -1 0 371.381 -0.567 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCc1ccc(OC)cc1OC ZINC001349698632 851948411 /nfs/dbraw/zinc/94/84/11/851948411.db2.gz PQRBJUQREMRGBB-UHFFFAOYSA-N -1 0 353.375 -0.454 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCCNC(=O)CC1CCCCC1 ZINC001349698641 851948452 /nfs/dbraw/zinc/94/84/52/851948452.db2.gz PVXZNRBUEBAFQQ-UHFFFAOYSA-N -1 0 356.423 -0.627 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1COC2(CCC(C)CC2)O1 ZINC001349710316 851948764 /nfs/dbraw/zinc/94/87/64/851948764.db2.gz FOVYJQBJRMCFED-BGMSHATGSA-N -1 0 357.407 -0.392 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1COC2(CCC(C)CC2)O1 ZINC001349710317 851948610 /nfs/dbraw/zinc/94/86/10/851948610.db2.gz FOVYJQBJRMCFED-BWBHSNQOSA-N -1 0 357.407 -0.392 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1nc(C)c(C(=O)OCC)s1 ZINC001349724399 851949599 /nfs/dbraw/zinc/94/95/99/851949599.db2.gz FFTNQYUIMGIIFM-UHFFFAOYSA-N -1 0 372.403 -0.572 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(c2ccccc2O)CC1 ZINC001349752094 851952111 /nfs/dbraw/zinc/95/21/11/851952111.db2.gz BNMSVZRLOBCNTB-UHFFFAOYSA-N -1 0 350.375 -0.775 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](CC(=O)OC(C)C)C1 ZINC001349753033 851952388 /nfs/dbraw/zinc/95/23/88/851952388.db2.gz JUPCLXXKECIEHS-GFCCVEGCSA-N -1 0 357.407 -0.249 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC001349753034 851952287 /nfs/dbraw/zinc/95/22/87/851952287.db2.gz JUPCLXXKECIEHS-LBPRGKRZSA-N -1 0 357.407 -0.249 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001349755219 851952540 /nfs/dbraw/zinc/95/25/40/851952540.db2.gz SPBIJHVOMZWOJS-GFCCVEGCSA-N -1 0 357.407 -0.786 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(OC[C@H]2CCOC2)CC1 ZINC001349755222 851952165 /nfs/dbraw/zinc/95/21/65/851952165.db2.gz SPBIJHVOMZWOJS-LBPRGKRZSA-N -1 0 357.407 -0.786 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(CC)Cc1ccc2c(c1)OCO2 ZINC001349755837 851952589 /nfs/dbraw/zinc/95/25/89/851952589.db2.gz VCEZHLXNCPEJOR-UHFFFAOYSA-N -1 0 351.359 -0.052 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1cc(C(=O)OC)c(C)o1 ZINC001349755900 851952176 /nfs/dbraw/zinc/95/21/76/851952176.db2.gz VMKFWCXGXIFLMQ-UHFFFAOYSA-N -1 0 355.347 -0.483 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCCN(Cc2cscn2)CC1 ZINC001349755906 851952257 /nfs/dbraw/zinc/95/22/57/851952257.db2.gz VRSXGNKKDRUTHD-UHFFFAOYSA-N -1 0 369.447 -0.639 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001349755996 851952394 /nfs/dbraw/zinc/95/23/94/851952394.db2.gz WMCNTBVCZDIEFS-GFCCVEGCSA-N -1 0 356.423 -0.819 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001349755999 851952346 /nfs/dbraw/zinc/95/23/46/851952346.db2.gz WMCNTBVCZDIEFS-LBPRGKRZSA-N -1 0 356.423 -0.819 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC001349756636 851953676 /nfs/dbraw/zinc/95/36/76/851953676.db2.gz XHOUXFSNOKQZRB-UHFFFAOYSA-N -1 0 369.809 -0.433 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CC1 ZINC001349787806 851954303 /nfs/dbraw/zinc/95/43/03/851954303.db2.gz UBLRHZDJXLHFSS-LLVKDONJSA-N -1 0 358.424 -0.839 20 0 FBADRM CS(=O)(=O)N1CCC(CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)CC1 ZINC001349787809 851954374 /nfs/dbraw/zinc/95/43/74/851954374.db2.gz UBLRHZDJXLHFSS-NSHDSACASA-N -1 0 358.424 -0.839 20 0 FBADRM Cn1cc(CS(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCCC3)cn1 ZINC001349796187 851954528 /nfs/dbraw/zinc/95/45/28/851954528.db2.gz KEBCNRJRVCVUIE-UHFFFAOYSA-N -1 0 368.419 -0.849 20 0 FBADRM CC(C)[C@H](CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC001349825289 851956410 /nfs/dbraw/zinc/95/64/10/851956410.db2.gz XCHSGKIPRILASQ-KBPBESRZSA-N -1 0 355.435 -0.360 20 0 FBADRM CC(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC001349825296 851956342 /nfs/dbraw/zinc/95/63/42/851956342.db2.gz XCHSGKIPRILASQ-KGLIPLIRSA-N -1 0 355.435 -0.360 20 0 FBADRM CC(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC001349825301 851956169 /nfs/dbraw/zinc/95/61/69/851956169.db2.gz XCHSGKIPRILASQ-UONOGXRCSA-N -1 0 355.435 -0.360 20 0 FBADRM CC(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-] ZINC001349825307 851956322 /nfs/dbraw/zinc/95/63/22/851956322.db2.gz XCHSGKIPRILASQ-ZIAGYGMSSA-N -1 0 355.435 -0.360 20 0 FBADRM C[C@@H](CNC(=O)C(=O)N1CCC(C(=O)[O-])CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001349837839 851957387 /nfs/dbraw/zinc/95/73/87/851957387.db2.gz DDOSKJLLKUNMBK-RWMBFGLXSA-N -1 0 355.435 -0.077 20 0 FBADRM C[C@H](CNC(=O)C(=O)N1CCC(C(=O)[O-])CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001349837841 851957178 /nfs/dbraw/zinc/95/71/78/851957178.db2.gz DDOSKJLLKUNMBK-UPJWGTAASA-N -1 0 355.435 -0.077 20 0 FBADRM CCS(=O)(=O)N1CCN(c2nnc(-c3cc(=O)n(C)[n-]3)n2C)CC1 ZINC001349922697 851961311 /nfs/dbraw/zinc/96/13/11/851961311.db2.gz VKFPKIWIWIZWMA-UHFFFAOYSA-N -1 0 355.424 -0.607 20 0 FBADRM CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001349938142 851961495 /nfs/dbraw/zinc/96/14/95/851961495.db2.gz SFBZARMZUQQMJW-CXAGYDPISA-N -1 0 355.435 -0.073 20 0 FBADRM CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001349938147 851961462 /nfs/dbraw/zinc/96/14/62/851961462.db2.gz SFBZARMZUQQMJW-DYVFJYSZSA-N -1 0 355.435 -0.073 20 0 FBADRM CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001349938149 851961578 /nfs/dbraw/zinc/96/15/78/851961578.db2.gz SFBZARMZUQQMJW-GUYCJALGSA-N -1 0 355.435 -0.073 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@H]2CSCCS2)C1 ZINC001349938398 851962607 /nfs/dbraw/zinc/96/26/07/851962607.db2.gz UYYZDWZJTNGAJG-HZMBPMFUSA-N -1 0 362.473 -0.099 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@H]2CSCCS2)C1 ZINC001349938399 851962842 /nfs/dbraw/zinc/96/28/42/851962842.db2.gz UYYZDWZJTNGAJG-IINYFYTJSA-N -1 0 362.473 -0.099 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@H]2CSCCS2)C1 ZINC001349938400 851962751 /nfs/dbraw/zinc/96/27/51/851962751.db2.gz UYYZDWZJTNGAJG-QMTHXVAHSA-N -1 0 362.473 -0.099 20 0 FBADRM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@H]2CSCCS2)C1 ZINC001349938401 851962437 /nfs/dbraw/zinc/96/24/37/851962437.db2.gz UYYZDWZJTNGAJG-YGRLFVJLSA-N -1 0 362.473 -0.099 20 0 FBADRM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC001349956260 851962279 /nfs/dbraw/zinc/96/22/79/851962279.db2.gz XLAMEUQOGDGDRA-GFCCVEGCSA-N -1 0 355.434 -0.541 20 0 FBADRM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC001349956261 851962862 /nfs/dbraw/zinc/96/28/62/851962862.db2.gz XLAMEUQOGDGDRA-LBPRGKRZSA-N -1 0 355.434 -0.541 20 0 FBADRM COC1CCN(S(=O)(=O)N[C@H](Cn2cc(Cl)cn2)C(=O)[O-])CC1 ZINC001350000154 851962217 /nfs/dbraw/zinc/96/22/17/851962217.db2.gz ATJWGJCTPZAFHQ-LLVKDONJSA-N -1 0 366.827 -0.065 20 0 FBADRM COC1CCN(S(=O)(=O)N[C@@H](Cn2cc(Cl)cn2)C(=O)[O-])CC1 ZINC001350000155 851962601 /nfs/dbraw/zinc/96/26/01/851962601.db2.gz ATJWGJCTPZAFHQ-NSHDSACASA-N -1 0 366.827 -0.065 20 0 FBADRM O=C([O-])[C@H]1[C@@H]2CN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)C[C@@H]21 ZINC001350006156 851962804 /nfs/dbraw/zinc/96/28/04/851962804.db2.gz LVUTUZFFWYBIGU-IMRBUKKESA-N -1 0 353.400 -0.131 20 0 FBADRM CN(CCCF)C(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001350093136 851968097 /nfs/dbraw/zinc/96/80/97/851968097.db2.gz YKWYAUKALDBFGG-LLVKDONJSA-N -1 0 357.382 -0.272 20 0 FBADRM CN(CCCF)C(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001350093138 851967925 /nfs/dbraw/zinc/96/79/25/851967925.db2.gz YKWYAUKALDBFGG-NSHDSACASA-N -1 0 357.382 -0.272 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)N2CCc3ccccc3C2)n(C)c1=O ZINC001350221797 851974745 /nfs/dbraw/zinc/97/47/45/851974745.db2.gz CIAMPOHEYDZISR-UHFFFAOYSA-N -1 0 350.400 -0.243 20 0 FBADRM Cn1cc(C(=O)[N-]S(=O)(=O)CCc2ccc3c(c2)CCO3)n(C)c1=O ZINC001350241790 851976468 /nfs/dbraw/zinc/97/64/68/851976468.db2.gz NLXSNIXHPISINE-UHFFFAOYSA-N -1 0 365.411 -0.039 20 0 FBADRM CCOC(=O)CN(C)S(=O)(=O)[N-]C(=O)CN(C)[C@H]1CCSC1 ZINC001350299394 851980787 /nfs/dbraw/zinc/98/07/87/851980787.db2.gz QYRIOWDUDLZPRC-JTQLQIEISA-N -1 0 353.466 -0.720 20 0 FBADRM CCOC(=O)CN(C)S(=O)(=O)[N-]C(=O)CN(C)[C@@H]1CCSC1 ZINC001350299395 851980813 /nfs/dbraw/zinc/98/08/13/851980813.db2.gz QYRIOWDUDLZPRC-SNVBAGLBSA-N -1 0 353.466 -0.720 20 0 FBADRM CNC(=O)[C@H](CCSC)NC(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001350313743 851981715 /nfs/dbraw/zinc/98/17/15/851981715.db2.gz QLZVOYMXJOLICJ-VIFPVBQESA-N -1 0 354.388 -0.298 20 0 FBADRM CCOCCN1CCN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1 ZINC001350313809 851981876 /nfs/dbraw/zinc/98/18/76/851981876.db2.gz QWHDARULRNSSPG-UHFFFAOYSA-N -1 0 350.375 -0.101 20 0 FBADRM CN(C)C(=O)CCCNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001350314480 851981809 /nfs/dbraw/zinc/98/18/09/851981809.db2.gz YGJDJORKIYOGBO-UHFFFAOYSA-N -1 0 353.379 -0.374 20 0 FBADRM O=C([N-]S(=O)(=O)Cc1ccccn1)C1(n2cnnn2)CCOCC1 ZINC001350320433 851981427 /nfs/dbraw/zinc/98/14/27/851981427.db2.gz CUXGZHBJUPPYDD-UHFFFAOYSA-N -1 0 352.376 -0.780 20 0 FBADRM COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1 ZINC001350321209 851981758 /nfs/dbraw/zinc/98/17/58/851981758.db2.gz HOTAUEFBLZFBED-UHFFFAOYSA-N -1 0 363.436 -0.078 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)c1cnc2n1CCOC2 ZINC001350321297 851981489 /nfs/dbraw/zinc/98/14/89/851981489.db2.gz ILASGTISRYGAST-JTQLQIEISA-N -1 0 367.387 -0.310 20 0 FBADRM O=C([N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)c1cnc2n1CCOC2 ZINC001350321298 851981659 /nfs/dbraw/zinc/98/16/59/851981659.db2.gz ILASGTISRYGAST-SNVBAGLBSA-N -1 0 367.387 -0.310 20 0 FBADRM COC(=O)N1CCC(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)CC1 ZINC001350322670 851981842 /nfs/dbraw/zinc/98/18/42/851981842.db2.gz OHTDFDURZUYHGB-UHFFFAOYSA-N -1 0 372.403 -0.051 20 0 FBADRM CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)C1 ZINC001350323927 851982199 /nfs/dbraw/zinc/98/21/99/851982199.db2.gz XCJJQLXDQZUZOS-UHFFFAOYSA-N -1 0 372.424 -0.602 20 0 FBADRM COCC(COC)S(=O)(=O)[N-]C(=O)c1cccc(N2CCNC2=O)c1 ZINC001350324153 851982714 /nfs/dbraw/zinc/98/27/14/851982714.db2.gz WRAVRUJGRBIHPH-UHFFFAOYSA-N -1 0 371.415 -0.063 20 0 FBADRM CO[C@@H]1CCN(C(=O)CC2(n3cnnn3)CCOCC2)[C@H](C(=O)[O-])C1 ZINC001350324205 851982217 /nfs/dbraw/zinc/98/22/17/851982217.db2.gz XIAACGTXSMQXJC-NEPJUHHUSA-N -1 0 353.379 -0.341 20 0 FBADRM CO[C@H]1CCN(C(=O)CC2(n3cnnn3)CCOCC2)[C@@H](C(=O)[O-])C1 ZINC001350324206 851982731 /nfs/dbraw/zinc/98/27/31/851982731.db2.gz XIAACGTXSMQXJC-NWDGAFQWSA-N -1 0 353.379 -0.341 20 0 FBADRM CO[C@H]1CCN(C(=O)CC2(n3cnnn3)CCOCC2)[C@H](C(=O)[O-])C1 ZINC001350324207 851982508 /nfs/dbraw/zinc/98/25/08/851982508.db2.gz XIAACGTXSMQXJC-RYUDHWBXSA-N -1 0 353.379 -0.341 20 0 FBADRM CO[C@@H]1CCN(C(=O)CC2(n3cnnn3)CCOCC2)[C@@H](C(=O)[O-])C1 ZINC001350324208 851982229 /nfs/dbraw/zinc/98/22/29/851982229.db2.gz XIAACGTXSMQXJC-VXGBXAGGSA-N -1 0 353.379 -0.341 20 0 FBADRM O=C([O-])CCC1CCN(C(=O)C(=O)NCCCN2CCOCC2)CC1 ZINC001350331839 851982528 /nfs/dbraw/zinc/98/25/28/851982528.db2.gz NDHGFVAJWXMVAR-UHFFFAOYSA-N -1 0 355.435 -0.072 20 0 FBADRM O=C([O-])C1CCC(NC(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1 ZINC001350331874 851982654 /nfs/dbraw/zinc/98/26/54/851982654.db2.gz OAEFUDLUSDOLDR-KPFVRQRISA-N -1 0 351.403 -0.127 20 0 FBADRM O=C([O-])C1CCC(NC(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1 ZINC001350331875 851982762 /nfs/dbraw/zinc/98/27/62/851982762.db2.gz OAEFUDLUSDOLDR-MVKMKZAISA-N -1 0 351.403 -0.127 20 0 FBADRM O=C([O-])C1CCC(NC(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1 ZINC001350331876 851982545 /nfs/dbraw/zinc/98/25/45/851982545.db2.gz OAEFUDLUSDOLDR-POOIEITISA-N -1 0 351.403 -0.127 20 0 FBADRM O=C([O-])C1CCC(NC(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)CC1 ZINC001350331877 851982564 /nfs/dbraw/zinc/98/25/64/851982564.db2.gz OAEFUDLUSDOLDR-PYNQCMFNSA-N -1 0 351.403 -0.127 20 0 FBADRM CC(=O)N1Cc2ccc(S(=O)(=O)NCCc3nc(=O)o[n-]3)cc2C1 ZINC001350366755 851984712 /nfs/dbraw/zinc/98/47/12/851984712.db2.gz ZZJRBGDTBACWKI-UHFFFAOYSA-N -1 0 352.372 -0.254 20 0 FBADRM COC[C@@]1(CO)CCN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)C1 ZINC001350410169 851986968 /nfs/dbraw/zinc/98/69/68/851986968.db2.gz LBRPYAFPKREBSU-KRWDZBQOSA-N -1 0 356.419 -0.053 20 0 FBADRM COC[C@]1(CO)CCN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)C1 ZINC001350410171 851986691 /nfs/dbraw/zinc/98/66/91/851986691.db2.gz LBRPYAFPKREBSU-QGZVFWFLSA-N -1 0 356.419 -0.053 20 0 FBADRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)N1C[C@H]3CCC[C@@H](C1)C3O)C2 ZINC001350412464 851988540 /nfs/dbraw/zinc/98/85/40/851988540.db2.gz UBRWCOGLIOVPJM-ZMJNUIBCSA-N -1 0 352.387 -0.835 20 0 FBADRM O=C([O-])C1(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC=CC1 ZINC001350422972 851989060 /nfs/dbraw/zinc/98/90/60/851989060.db2.gz LPVOBMSEXFRYAW-CYBMUJFWSA-N -1 0 351.403 -0.543 20 0 FBADRM O=C([O-])C1(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC=CC1 ZINC001350422974 851989233 /nfs/dbraw/zinc/98/92/33/851989233.db2.gz LPVOBMSEXFRYAW-ZDUSSCGKSA-N -1 0 351.403 -0.543 20 0 FBADRM CO[C@](C)(C(=O)[O-])C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC001350424592 851989311 /nfs/dbraw/zinc/98/93/11/851989311.db2.gz WSTTYBGMLQIWJO-AWEZNQCLSA-N -1 0 374.419 -0.821 20 0 FBADRM CO[C@@](C)(C(=O)[O-])C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC001350424594 851989381 /nfs/dbraw/zinc/98/93/81/851989381.db2.gz WSTTYBGMLQIWJO-CQSZACIVSA-N -1 0 374.419 -0.821 20 0 FBADRM O=C([O-])CC1(NC(=O)Cn2nc3n(c2=O)CCCCC3)CCOCC1 ZINC001350424690 851989085 /nfs/dbraw/zinc/98/90/85/851989085.db2.gz XZYXGHDFOOQSFY-UHFFFAOYSA-N -1 0 352.391 -0.089 20 0 FBADRM CC(=O)N1Cc2ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc2C1 ZINC001350429493 851989419 /nfs/dbraw/zinc/98/94/19/851989419.db2.gz WWHYMGSIBHSLAY-UHFFFAOYSA-N -1 0 355.372 -0.972 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cn(C2CCOCC2)nn1)OC ZINC001350432729 851989334 /nfs/dbraw/zinc/98/93/34/851989334.db2.gz GPNIAQKKPXOOOY-LLVKDONJSA-N -1 0 362.408 -0.649 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cn(C2CCOCC2)nn1)OC ZINC001350432732 851989499 /nfs/dbraw/zinc/98/94/99/851989499.db2.gz GPNIAQKKPXOOOY-NSHDSACASA-N -1 0 362.408 -0.649 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)C1CCC(C(=O)N(C)C)CC1)OC ZINC001350433538 851989029 /nfs/dbraw/zinc/98/90/29/851989029.db2.gz NZCQAMGUOHMPCZ-BPCQOVAHSA-N -1 0 364.464 -0.012 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)C1CCC(C(=O)N(C)C)CC1)OC ZINC001350433548 851989524 /nfs/dbraw/zinc/98/95/24/851989524.db2.gz NZCQAMGUOHMPCZ-WXRRBKDZSA-N -1 0 364.464 -0.012 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cccc(N2CCNC2=O)c1)OC ZINC001350434050 851989165 /nfs/dbraw/zinc/98/91/65/851989165.db2.gz UKFBOGIRYGKZHB-CYBMUJFWSA-N -1 0 371.415 -0.063 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cccc(N2CCNC2=O)c1)OC ZINC001350434051 851989531 /nfs/dbraw/zinc/98/95/31/851989531.db2.gz UKFBOGIRYGKZHB-ZDUSSCGKSA-N -1 0 371.415 -0.063 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N(C)N2CCS(=O)(=O)CC2)c1 ZINC001350462075 851990475 /nfs/dbraw/zinc/99/04/75/851990475.db2.gz ABUITMZHGYCGGV-JOCHJYFZSA-N -1 0 360.457 -0.093 20 0 FBADRM COc1cccc(S([O-])=CC(=O)N(C)N2CCS(=O)(=O)CC2)c1 ZINC001350462077 851989995 /nfs/dbraw/zinc/98/99/95/851989995.db2.gz ABUITMZHGYCGGV-QFIPXVFZSA-N -1 0 360.457 -0.093 20 0 FBADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N(C)N1CCS(=O)(=O)CC1 ZINC001350462600 851990234 /nfs/dbraw/zinc/99/02/34/851990234.db2.gz GITVWBBRACEKRG-VIFPVBQESA-N -1 0 359.370 -0.207 20 0 FBADRM CC(C)CO[N-]C(=O)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC001350530035 851993158 /nfs/dbraw/zinc/99/31/58/851993158.db2.gz ZOBMBDIIVKLXMA-HNNXBMFYSA-N -1 0 356.467 -0.397 20 0 FBADRM CC(C)CO[N-]C(=O)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC001350530040 851993462 /nfs/dbraw/zinc/99/34/62/851993462.db2.gz ZOBMBDIIVKLXMA-OAHLLOKOSA-N -1 0 356.467 -0.397 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC001350583504 851999226 /nfs/dbraw/zinc/99/92/26/851999226.db2.gz MJYPAQJMDDLXQU-UHFFFAOYSA-N -1 0 356.423 -0.723 20 0 FBADRM Cn1nc(C(=O)[O-])cc1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC001350600392 851999265 /nfs/dbraw/zinc/99/92/65/851999265.db2.gz AMRCAHSUSOEPJS-UHFFFAOYSA-N -1 0 356.404 -0.195 20 0 FBADRM O=C([O-])Cn1cc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)nn1 ZINC001350600962 851999698 /nfs/dbraw/zinc/99/96/98/851999698.db2.gz JYDWSOVEJDZAPE-UHFFFAOYSA-N -1 0 365.415 -0.131 20 0 FBADRM COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001350612187 852000844 /nfs/dbraw/zinc/00/08/44/852000844.db2.gz JHQOIPWZMHYHGP-BFHYXJOUSA-N -1 0 355.435 -0.217 20 0 FBADRM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001350612188 852000504 /nfs/dbraw/zinc/00/05/04/852000504.db2.gz JHQOIPWZMHYHGP-MGPQQGTHSA-N -1 0 355.435 -0.217 20 0 FBADRM O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001350623000 852000873 /nfs/dbraw/zinc/00/08/73/852000873.db2.gz JABFZRFLJITPTE-HZSPNIEDSA-N -1 0 353.419 -0.321 20 0 FBADRM O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001350623006 852000935 /nfs/dbraw/zinc/00/09/35/852000935.db2.gz JABFZRFLJITPTE-MJBXVCDLSA-N -1 0 353.419 -0.321 20 0 FBADRM C[C@@H]1CCN(C(=O)C(=O)NCc2cc[nH]n2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001350686187 852005002 /nfs/dbraw/zinc/00/50/02/852005002.db2.gz ZVUVGGFMWRXXCS-SCZZXKLOSA-N -1 0 361.324 -0.059 20 0 FBADRM CC(C)(CCC(=O)[O-])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001350717973 852007915 /nfs/dbraw/zinc/00/79/15/852007915.db2.gz SOFASIJCYHPHDY-UHFFFAOYSA-N -1 0 355.435 -0.120 20 0 FBADRM NS(=O)(=O)c1cc(C(=O)N2CCC(O)(C(=O)[O-])CC2)cc2c1CCC2 ZINC001350744215 852008891 /nfs/dbraw/zinc/00/88/91/852008891.db2.gz QFUCTGCLPMYRGA-UHFFFAOYSA-N -1 0 368.411 -0.126 20 0 FBADRM CS(=O)(=O)N1CCN(CCNC(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001350755093 852009671 /nfs/dbraw/zinc/00/96/71/852009671.db2.gz BEPZPHZGVZNPHW-UHFFFAOYSA-N -1 0 356.404 -0.913 20 0 FBADRM O=C([O-])[C@]1(N2CCN(C(=O)c3cnn4c3OCCC4)CC2)CCOC1 ZINC001350778913 852010896 /nfs/dbraw/zinc/01/08/96/852010896.db2.gz UXQBUMZBVBVFCA-INIZCTEOSA-N -1 0 350.375 -0.333 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(C(=O)c3cnn4c3OCCC4)CC2)CCOC1 ZINC001350778915 852011091 /nfs/dbraw/zinc/01/10/91/852011091.db2.gz UXQBUMZBVBVFCA-MRXNPFEDSA-N -1 0 350.375 -0.333 20 0 FBADRM O=C([O-])c1ccn(CC(=O)NC[C@@]2(N3CCOCC3)CCSC2)n1 ZINC001350795627 852012104 /nfs/dbraw/zinc/01/21/04/852012104.db2.gz ILKGMWRXWBIFRP-HNNXBMFYSA-N -1 0 354.432 -0.095 20 0 FBADRM O=C([O-])c1ccn(CC(=O)NC[C@]2(N3CCOCC3)CCSC2)n1 ZINC001350795633 852012082 /nfs/dbraw/zinc/01/20/82/852012082.db2.gz ILKGMWRXWBIFRP-OAHLLOKOSA-N -1 0 354.432 -0.095 20 0 FBADRM Cc1ncc2n1C[C@@H](C(=O)N(CCN1CCOCC1)CC(=O)[O-])CC2 ZINC001350801017 852013013 /nfs/dbraw/zinc/01/30/13/852013013.db2.gz HFPOZVJKIIEWJQ-AWEZNQCLSA-N -1 0 350.419 -0.001 20 0 FBADRM Cc1ncc2n1C[C@H](C(=O)N(CCN1CCOCC1)CC(=O)[O-])CC2 ZINC001350801018 852012679 /nfs/dbraw/zinc/01/26/79/852012679.db2.gz HFPOZVJKIIEWJQ-CQSZACIVSA-N -1 0 350.419 -0.001 20 0 FBADRM C/C(=C\C(=O)N(CCN1CCOCC1)CC(=O)[O-])CN1CCOCC1 ZINC001350801134 852013346 /nfs/dbraw/zinc/01/33/46/852013346.db2.gz KBPYOZHBSDJOGS-NTCAYCPXSA-N -1 0 355.435 -0.490 20 0 FBADRM C/C(=C/C(=O)N(CCN1CCOCC1)CC(=O)[O-])CN1CCOCC1 ZINC001350801135 852013314 /nfs/dbraw/zinc/01/33/14/852013314.db2.gz KBPYOZHBSDJOGS-QINSGFPZSA-N -1 0 355.435 -0.490 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)NC2CCN(CC(N)=O)CC2)cn1 ZINC001350813341 852013037 /nfs/dbraw/zinc/01/30/37/852013037.db2.gz ZVEZCFBWPQMAAM-UHFFFAOYSA-N -1 0 355.420 -0.867 20 0 FBADRM Cn1nc2c(cc1=O)CN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])CC2 ZINC001350833076 852015542 /nfs/dbraw/zinc/01/55/42/852015542.db2.gz UQFKVSBCRZZCKE-UHFFFAOYSA-N -1 0 364.383 -0.668 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCn2c(nnc2C(C)(C)C)C1 ZINC001350876916 852018580 /nfs/dbraw/zinc/01/85/80/852018580.db2.gz ATWRGHSOOAYWCG-UHFFFAOYSA-N -1 0 352.395 -0.898 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(Cl)c(C(=O)OC)n1 ZINC001350878170 852018246 /nfs/dbraw/zinc/01/82/46/852018246.db2.gz MLSLWYMQGRSXGK-UHFFFAOYSA-N -1 0 372.765 -0.678 20 0 FBADRM CN(C)C(=O)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001350975483 852025195 /nfs/dbraw/zinc/02/51/95/852025195.db2.gz LQNHESNREZEUBA-FRRDWIJNSA-N -1 0 351.403 -0.508 20 0 FBADRM CN(C)C(=O)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001350975484 852025371 /nfs/dbraw/zinc/02/53/71/852025371.db2.gz LQNHESNREZEUBA-RWMBFGLXSA-N -1 0 351.403 -0.508 20 0 FBADRM CC[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001350990812 852026239 /nfs/dbraw/zinc/02/62/39/852026239.db2.gz QLUMHQJYKGCTGB-CYBMUJFWSA-N -1 0 355.435 -0.073 20 0 FBADRM CC[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001350990813 852026028 /nfs/dbraw/zinc/02/60/28/852026028.db2.gz QLUMHQJYKGCTGB-ZDUSSCGKSA-N -1 0 355.435 -0.073 20 0 FBADRM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CCS(=O)(=O)CCO1 ZINC001351028009 852029275 /nfs/dbraw/zinc/02/92/75/852029275.db2.gz SYVAQVPKNZAJFP-UHFFFAOYSA-N -1 0 369.424 -0.126 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCC[S@@](=O)CC(F)(F)F ZINC001351055651 852030077 /nfs/dbraw/zinc/03/00/77/852030077.db2.gz AYRLWKOXEDOBRR-HSZRJFAPSA-N -1 0 351.310 -0.502 20 0 FBADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCC[S@](=O)CC(F)(F)F ZINC001351055657 852030364 /nfs/dbraw/zinc/03/03/64/852030364.db2.gz AYRLWKOXEDOBRR-QHCPKHFHSA-N -1 0 351.310 -0.502 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(C(=O)NCC(C)C)CC1 ZINC001351220927 852042068 /nfs/dbraw/zinc/04/20/68/852042068.db2.gz SNHUYXAZWGAKGJ-UHFFFAOYSA-N -1 0 356.423 -0.819 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NCc1sccc1Br ZINC001351249197 852043259 /nfs/dbraw/zinc/04/32/59/852043259.db2.gz AQMDLNASXJMOEU-UHFFFAOYSA-N -1 0 350.194 -0.079 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(Br)c[nH]c1=O ZINC001351277977 852043345 /nfs/dbraw/zinc/04/33/45/852043345.db2.gz BQKSVMWEVJRJFM-UHFFFAOYSA-N -1 0 366.193 -0.255 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@@H](CNC(N)=O)C2)cn1 ZINC001351352293 852045582 /nfs/dbraw/zinc/04/55/82/852045582.db2.gz MMDGVWCHPDWWBB-JTQLQIEISA-N -1 0 355.420 -0.026 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@H](CNC(N)=O)C2)cn1 ZINC001351352294 852045597 /nfs/dbraw/zinc/04/55/97/852045597.db2.gz MMDGVWCHPDWWBB-SNVBAGLBSA-N -1 0 355.420 -0.026 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCN(c3cnn(C)c3)C2)on1 ZINC001351372483 852046379 /nfs/dbraw/zinc/04/63/79/852046379.db2.gz NKGCEXOZTGNDMR-SECBINFHSA-N -1 0 355.376 -0.248 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCN(c3cnn(C)c3)C2)on1 ZINC001351372484 852046250 /nfs/dbraw/zinc/04/62/50/852046250.db2.gz NKGCEXOZTGNDMR-VIFPVBQESA-N -1 0 355.376 -0.248 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC001351436747 852051771 /nfs/dbraw/zinc/05/17/71/852051771.db2.gz ODSRDONJRNYNJA-LLVKDONJSA-N -1 0 354.794 -0.171 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC001351436749 852052090 /nfs/dbraw/zinc/05/20/90/852052090.db2.gz ODSRDONJRNYNJA-NSHDSACASA-N -1 0 354.794 -0.171 20 0 FBADRM C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccccc2CC(=O)[O-])CCS1(=O)=O ZINC001351480767 852055129 /nfs/dbraw/zinc/05/51/29/852055129.db2.gz RDCLNMIKIZORNM-MWLCHTKSSA-N -1 0 354.384 -0.056 20 0 FBADRM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)c1 ZINC001351511039 852056086 /nfs/dbraw/zinc/05/60/86/852056086.db2.gz KHVGJJUXNAWLHI-NEPJUHHUSA-N -1 0 369.399 -0.774 20 0 FBADRM CN1C(=O)CN(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)COC3)C1=O ZINC001351511074 852056329 /nfs/dbraw/zinc/05/63/29/852056329.db2.gz KQXAJTRHEWEWDP-UHFFFAOYSA-N -1 0 353.356 -0.584 20 0 FBADRM Cn1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)C3CCOCC3)CC2=O)cn1 ZINC001351511715 852057871 /nfs/dbraw/zinc/05/78/71/852057871.db2.gz UOTPLPXHAXFNDS-JTQLQIEISA-N -1 0 356.404 -0.602 20 0 FBADRM Cn1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)C3CCOCC3)CC2=O)cn1 ZINC001351511716 852057697 /nfs/dbraw/zinc/05/76/97/852057697.db2.gz UOTPLPXHAXFNDS-SNVBAGLBSA-N -1 0 356.404 -0.602 20 0 FBADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccn(C2CCOCC2)n1 ZINC001351511908 852057452 /nfs/dbraw/zinc/05/74/52/852057452.db2.gz XQYBJOVSDUJALW-UHFFFAOYSA-N -1 0 361.420 -0.043 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cn1 ZINC001351520206 852057619 /nfs/dbraw/zinc/05/76/19/852057619.db2.gz CCBHTRQGMHNPBU-NSHDSACASA-N -1 0 361.445 -0.133 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C/c1ccc(S(C)(=O)=O)o1 ZINC001351521993 852057249 /nfs/dbraw/zinc/05/72/49/852057249.db2.gz GTHDKRKCHWCCNQ-HWKANZROSA-N -1 0 364.401 -0.722 20 0 FBADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)/C=C\c1ccc(S(C)(=O)=O)o1 ZINC001351521998 852057232 /nfs/dbraw/zinc/05/72/32/852057232.db2.gz GTHDKRKCHWCCNQ-HYXAFXHYSA-N -1 0 364.401 -0.722 20 0 FBADRM CN1CC(=O)Nc2cc(C(=O)[N-]S(=O)(=O)C[C@@H]3CCCO3)cnc21 ZINC001351522034 852057810 /nfs/dbraw/zinc/05/78/10/852057810.db2.gz MYBOQSSGRHNSPV-JTQLQIEISA-N -1 0 354.388 -0.292 20 0 FBADRM CN1CC(=O)Nc2cc(C(=O)[N-]S(=O)(=O)C[C@H]3CCCO3)cnc21 ZINC001351522036 852057727 /nfs/dbraw/zinc/05/77/27/852057727.db2.gz MYBOQSSGRHNSPV-SNVBAGLBSA-N -1 0 354.388 -0.292 20 0 FBADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)cn1 ZINC001351522282 852057324 /nfs/dbraw/zinc/05/73/24/852057324.db2.gz PAGGAMQVHDVJHJ-MCYUEQNJSA-N -1 0 352.368 -0.084 20 0 FBADRM CC(=O)N1CCc2sc(S(=O)(=O)[N-]C(=O)[C@@H]3COC(=O)N3)cc2C1 ZINC001351522535 852057259 /nfs/dbraw/zinc/05/72/59/852057259.db2.gz IYSNRYMDWVKFFR-VIFPVBQESA-N -1 0 373.412 -0.434 20 0 FBADRM COC(=O)c1cnn(CC(=O)[N-]S(=O)(=O)c2cnn(C(C)C)c2)c1 ZINC001351522604 852057300 /nfs/dbraw/zinc/05/73/00/852057300.db2.gz KGJXBCKPFBLDPB-UHFFFAOYSA-N -1 0 355.376 -0.048 20 0 FBADRM CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC001351522830 852057753 /nfs/dbraw/zinc/05/77/53/852057753.db2.gz SJPMICIXQQHASV-ZDUSSCGKSA-N -1 0 355.416 -0.036 20 0 FBADRM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccn(C2CCOCC2)n1)OC ZINC001351523708 852057688 /nfs/dbraw/zinc/05/76/88/852057688.db2.gz OHQQTMZYPZGCLR-GFCCVEGCSA-N -1 0 361.420 -0.044 20 0 FBADRM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccn(C2CCOCC2)n1)OC ZINC001351523710 852057392 /nfs/dbraw/zinc/05/73/92/852057392.db2.gz OHQQTMZYPZGCLR-LBPRGKRZSA-N -1 0 361.420 -0.044 20 0 FBADRM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(C2CCOCC2)nn1C ZINC001351591707 852063968 /nfs/dbraw/zinc/06/39/68/852063968.db2.gz KXXHXYNOSOCTMF-UHFFFAOYSA-N -1 0 353.379 -0.564 20 0 FBADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)cn1 ZINC001351605697 852065626 /nfs/dbraw/zinc/06/56/26/852065626.db2.gz QFTXLFCXLOCENO-UHFFFAOYSA-N -1 0 365.419 -0.471 20 0 FBADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2C[C@@H](CO)[C@H](CO)C2)c1 ZINC001351628296 852067554 /nfs/dbraw/zinc/06/75/54/852067554.db2.gz ONTGJPVAKGCJAJ-QWRGUYRKSA-N -1 0 358.416 -0.685 20 0 FBADRM COCCOCCN(CCO)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001351632585 852067582 /nfs/dbraw/zinc/06/75/82/852067582.db2.gz XSBQDGQTNPMUAD-UHFFFAOYSA-N -1 0 352.347 -0.467 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001351638066 852069013 /nfs/dbraw/zinc/06/90/13/852069013.db2.gz CYVIJDRKFQTAPO-MRVPVSSYSA-N -1 0 361.391 -0.565 20 0 FBADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001351638070 852069099 /nfs/dbraw/zinc/06/90/99/852069099.db2.gz CYVIJDRKFQTAPO-QMMMGPOBSA-N -1 0 361.391 -0.565 20 0 FBADRM CC[C@@H]1CCO[C@@H]1C(=O)NCCCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001351638408 852068894 /nfs/dbraw/zinc/06/88/94/852068894.db2.gz WCNVTUKDNPAMRO-KOLCDFICSA-N -1 0 353.379 -0.324 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC001351648571 852069524 /nfs/dbraw/zinc/06/95/24/852069524.db2.gz YWCDPBPVGNAEIA-LLVKDONJSA-N -1 0 353.350 -0.056 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC001351648573 852069562 /nfs/dbraw/zinc/06/95/62/852069562.db2.gz YWCDPBPVGNAEIA-NSHDSACASA-N -1 0 353.350 -0.056 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001351660745 852070351 /nfs/dbraw/zinc/07/03/51/852070351.db2.gz ACDXIHNSCNSFMU-CYBMUJFWSA-N -1 0 360.392 -0.885 20 0 FBADRM Cc1onc(N)c1S(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001351660746 852070738 /nfs/dbraw/zinc/07/07/38/852070738.db2.gz ACDXIHNSCNSFMU-ZDUSSCGKSA-N -1 0 360.392 -0.885 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001351662284 852071200 /nfs/dbraw/zinc/07/12/00/852071200.db2.gz JOFWVONTSUICFC-AWEZNQCLSA-N -1 0 358.420 -0.721 20 0 FBADRM Cc1nn(C)cc1S(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001351662299 852071097 /nfs/dbraw/zinc/07/10/97/852071097.db2.gz JOFWVONTSUICFC-CQSZACIVSA-N -1 0 358.420 -0.721 20 0 FBADRM O=C([O-])[C@]1(N2CCN(C[C@@H](O)COC3CCOCC3)CC2)CCOC1 ZINC001351667820 852070513 /nfs/dbraw/zinc/07/05/13/852070513.db2.gz UEMIMSFGQIYRIV-PBHICJAKSA-N -1 0 358.435 -0.596 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(C[C@@H](O)COC3CCOCC3)CC2)CCOC1 ZINC001351667824 852070888 /nfs/dbraw/zinc/07/08/88/852070888.db2.gz UEMIMSFGQIYRIV-RHSMWYFYSA-N -1 0 358.435 -0.596 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(C[C@H](O)COC3CCOCC3)CC2)CCOC1 ZINC001351667826 852070862 /nfs/dbraw/zinc/07/08/62/852070862.db2.gz UEMIMSFGQIYRIV-WMLDXEAASA-N -1 0 358.435 -0.596 20 0 FBADRM O=C([O-])[C@]1(N2CCN(C[C@H](O)COC3CCOCC3)CC2)CCOC1 ZINC001351667829 852071083 /nfs/dbraw/zinc/07/10/83/852071083.db2.gz UEMIMSFGQIYRIV-YOEHRIQHSA-N -1 0 358.435 -0.596 20 0 FBADRM O=S(=O)(CCCS(=O)(=O)NC[C@H]1C[C@@H](O)C1)[N-]c1ncccn1 ZINC001351679628 852071985 /nfs/dbraw/zinc/07/19/85/852071985.db2.gz PLDMIQPPEVLJCZ-PHIMTYICSA-N -1 0 364.449 -0.701 20 0 FBADRM COC(=O)NC1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC001351682178 852071854 /nfs/dbraw/zinc/07/18/54/852071854.db2.gz CKBGZLSDTDHTLB-CMPLNLGQSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)NC1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC001351682179 852071702 /nfs/dbraw/zinc/07/17/02/852071702.db2.gz CKBGZLSDTDHTLB-JQWIXIFHSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)NC1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC001351682180 852072090 /nfs/dbraw/zinc/07/20/90/852072090.db2.gz CKBGZLSDTDHTLB-PWSUYJOCSA-N -1 0 355.391 -0.097 20 0 FBADRM COC(=O)NC1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC001351682181 852072071 /nfs/dbraw/zinc/07/20/71/852072071.db2.gz CKBGZLSDTDHTLB-ZYHUDNBSSA-N -1 0 355.391 -0.097 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CNC(N)=O)C2)CC[C@H]1C(=O)[O-] ZINC001351683132 852072039 /nfs/dbraw/zinc/07/20/39/852072039.db2.gz HRJOJEFAHMDERU-GRYCIOLGSA-N -1 0 354.407 -0.538 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CNC(N)=O)C2)CC[C@H]1C(=O)[O-] ZINC001351683133 852071964 /nfs/dbraw/zinc/07/19/64/852071964.db2.gz HRJOJEFAHMDERU-IJLUTSLNSA-N -1 0 354.407 -0.538 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CNC(N)=O)C2)CC[C@@H]1C(=O)[O-] ZINC001351683134 852072056 /nfs/dbraw/zinc/07/20/56/852072056.db2.gz HRJOJEFAHMDERU-UTUOFQBUSA-N -1 0 354.407 -0.538 20 0 FBADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CNC(N)=O)C2)CC[C@@H]1C(=O)[O-] ZINC001351683135 852071531 /nfs/dbraw/zinc/07/15/31/852071531.db2.gz HRJOJEFAHMDERU-WOPDTQHZSA-N -1 0 354.407 -0.538 20 0 FBADRM O=C([O-])[C@]1(N2CCN(C(=O)CCCNC(=O)C3CC3)CC2)CCOC1 ZINC001351715792 852074647 /nfs/dbraw/zinc/07/46/47/852074647.db2.gz GAUPWOVOZLVFQX-KRWDZBQOSA-N -1 0 353.419 -0.319 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(C(=O)CCCNC(=O)C3CC3)CC2)CCOC1 ZINC001351715793 852074562 /nfs/dbraw/zinc/07/45/62/852074562.db2.gz GAUPWOVOZLVFQX-QGZVFWFLSA-N -1 0 353.419 -0.319 20 0 FBADRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)C3(C(=O)[O-])CC3)CC2)cn1 ZINC001351716168 852074726 /nfs/dbraw/zinc/07/47/26/852074726.db2.gz IEIIFEPVEGNZIC-UHFFFAOYSA-N -1 0 356.404 -0.446 20 0 FBADRM O=C([O-])[C@]1(N2CCN(C(=O)CNC(=O)c3cccs3)CC2)CCOC1 ZINC001351716195 852074610 /nfs/dbraw/zinc/07/46/10/852074610.db2.gz ISGNGRBDFYEVNW-INIZCTEOSA-N -1 0 367.427 -0.134 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(C(=O)CNC(=O)c3cccs3)CC2)CCOC1 ZINC001351716197 852074808 /nfs/dbraw/zinc/07/48/08/852074808.db2.gz ISGNGRBDFYEVNW-MRXNPFEDSA-N -1 0 367.427 -0.134 20 0 FBADRM C[C@H](C(=O)NC[C@@]1(C(=O)[O-])CCCOC1)S(=O)(=O)C1CCOCC1 ZINC001351727868 852075393 /nfs/dbraw/zinc/07/53/93/852075393.db2.gz BJVGNASSFXTFFU-ABAIWWIYSA-N -1 0 363.432 -0.034 20 0 FBADRM C[C@H](C(=O)NC[C@]1(C(=O)[O-])CCCOC1)S(=O)(=O)C1CCOCC1 ZINC001351727869 852076090 /nfs/dbraw/zinc/07/60/90/852076090.db2.gz BJVGNASSFXTFFU-IAQYHMDHSA-N -1 0 363.432 -0.034 20 0 FBADRM C[C@@H](C(=O)NC[C@@]1(C(=O)[O-])CCCOC1)S(=O)(=O)C1CCOCC1 ZINC001351727870 852075984 /nfs/dbraw/zinc/07/59/84/852075984.db2.gz BJVGNASSFXTFFU-NHYWBVRUSA-N -1 0 363.432 -0.034 20 0 FBADRM C[C@@H](C(=O)NC[C@]1(C(=O)[O-])CCCOC1)S(=O)(=O)C1CCOCC1 ZINC001351727871 852076039 /nfs/dbraw/zinc/07/60/39/852076039.db2.gz BJVGNASSFXTFFU-XHDPSFHLSA-N -1 0 363.432 -0.034 20 0 FBADRM CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCCOCC(=O)[O-] ZINC001351727948 852075511 /nfs/dbraw/zinc/07/55/11/852075511.db2.gz BXLRWUZUUFZLEL-UHFFFAOYSA-N -1 0 369.399 -0.202 20 0 FBADRM Cc1oc(S(C)(=O)=O)cc1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001351729937 852075614 /nfs/dbraw/zinc/07/56/14/852075614.db2.gz RNOAECFSBPNEDK-UHFFFAOYSA-N -1 0 354.344 -0.022 20 0 FBADRM CN(CCCNC(=O)Cn1c(=O)[n-][nH]c1=O)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001351787324 852077977 /nfs/dbraw/zinc/07/79/77/852077977.db2.gz MLNNUZBYHUSNIA-MXWKQRLJSA-N -1 0 353.379 -0.779 20 0 FBADRM CO[C@H]1CCN(C(=O)C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)C1 ZINC001351836833 852079952 /nfs/dbraw/zinc/07/99/52/852079952.db2.gz AJAGQNXHGASVCN-TVQRCGJNSA-N -1 0 351.325 -0.097 20 0 FBADRM CO[C@H]1CCN(C(=O)C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)C1 ZINC001351836838 852080240 /nfs/dbraw/zinc/08/02/40/852080240.db2.gz AJAGQNXHGASVCN-ZANVPECISA-N -1 0 351.325 -0.097 20 0 FBADRM CN(CCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001351941194 852085567 /nfs/dbraw/zinc/08/55/67/852085567.db2.gz WFOLFRGXDWDAAU-MXWKQRLJSA-N -1 0 353.379 -0.779 20 0 FBADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)C1 ZINC001351984825 852088416 /nfs/dbraw/zinc/08/84/16/852088416.db2.gz YYPZSHSGNIMQST-KGLIPLIRSA-N -1 0 353.419 -0.367 20 0 FBADRM CC(=O)C[C@@H](NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)[O-] ZINC001352065933 852091432 /nfs/dbraw/zinc/09/14/32/852091432.db2.gz BSOKRLFWBFJMOO-GFCCVEGCSA-N -1 0 363.413 -0.058 20 0 FBADRM CC(=O)C[C@H](NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)[O-] ZINC001352065934 852090666 /nfs/dbraw/zinc/09/06/66/852090666.db2.gz BSOKRLFWBFJMOO-LBPRGKRZSA-N -1 0 363.413 -0.058 20 0 FBADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC001352066311 852091485 /nfs/dbraw/zinc/09/14/85/852091485.db2.gz FWUXBPFHMXODLR-CYBMUJFWSA-N -1 0 372.399 -0.727 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@H](Cn1cc(Cl)cn1)C(=O)[O-] ZINC001352067120 852091507 /nfs/dbraw/zinc/09/15/07/852091507.db2.gz OKUVAUUUVFWUMP-SECBINFHSA-N -1 0 368.799 -0.681 20 0 FBADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](Cn1cc(Cl)cn1)C(=O)[O-] ZINC001352067123 852091419 /nfs/dbraw/zinc/09/14/19/852091419.db2.gz OKUVAUUUVFWUMP-VIFPVBQESA-N -1 0 368.799 -0.681 20 0 FBADRM O=C([O-])COC1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC001352067867 852091377 /nfs/dbraw/zinc/09/13/77/852091377.db2.gz VEXFLBOCRYKGEH-UHFFFAOYSA-N -1 0 364.420 -0.364 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)NC[C@H](Cc1ccccn1)C(=O)[O-] ZINC001352067882 852091268 /nfs/dbraw/zinc/09/12/68/852091268.db2.gz VUTVWQMRLKCDMC-JTQLQIEISA-N -1 0 350.418 -0.711 20 0 FBADRM CS(=O)(=O)CCS(=O)(=O)NC[C@@H](Cc1ccccn1)C(=O)[O-] ZINC001352067883 852091108 /nfs/dbraw/zinc/09/11/08/852091108.db2.gz VUTVWQMRLKCDMC-SNVBAGLBSA-N -1 0 350.418 -0.711 20 0 FBADRM O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC001352068189 852091341 /nfs/dbraw/zinc/09/13/41/852091341.db2.gz ZVTHMNKPTYDVLV-LLVKDONJSA-N -1 0 360.392 -0.921 20 0 FBADRM O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC001352068201 852091467 /nfs/dbraw/zinc/09/14/67/852091467.db2.gz ZVTHMNKPTYDVLV-NSHDSACASA-N -1 0 360.392 -0.921 20 0 FBADRM COC(C)(C)CS(=O)(=O)N[C@H](CCC(=O)[O-])CN1CCOCC1 ZINC001352072645 852090600 /nfs/dbraw/zinc/09/06/00/852090600.db2.gz RQGBZDNZWUYHFU-GFCCVEGCSA-N -1 0 352.453 -0.104 20 0 FBADRM COC(C)(C)CS(=O)(=O)N[C@@H](CCC(=O)[O-])CN1CCOCC1 ZINC001352072646 852090995 /nfs/dbraw/zinc/09/09/95/852090995.db2.gz RQGBZDNZWUYHFU-LBPRGKRZSA-N -1 0 352.453 -0.104 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)N1Cc2nncn2C[C@@H]1C(=O)[O-] ZINC001352121150 852093293 /nfs/dbraw/zinc/09/32/93/852093293.db2.gz UVMKLYHRNUKCQU-SECBINFHSA-N -1 0 357.417 -0.116 20 0 FBADRM Cc1ncsc1CCS(=O)(=O)N1Cc2nncn2C[C@H]1C(=O)[O-] ZINC001352121161 852093600 /nfs/dbraw/zinc/09/36/00/852093600.db2.gz UVMKLYHRNUKCQU-VIFPVBQESA-N -1 0 357.417 -0.116 20 0 FBADRM Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CCN(CC(=O)[O-])CC1 ZINC001352143647 852095544 /nfs/dbraw/zinc/09/55/44/852095544.db2.gz RAKQSIXVSVAZAJ-UHFFFAOYSA-N -1 0 356.326 -0.170 20 0 FBADRM O=C([O-])[C@H]1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001352146602 852095182 /nfs/dbraw/zinc/09/51/82/852095182.db2.gz PZUIAGDZEPMHQE-KBPBESRZSA-N -1 0 353.419 -0.510 20 0 FBADRM O=C([O-])[C@H]1CCC[C@H]1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001352146603 852094918 /nfs/dbraw/zinc/09/49/18/852094918.db2.gz PZUIAGDZEPMHQE-KGLIPLIRSA-N -1 0 353.419 -0.510 20 0 FBADRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001352146604 852095002 /nfs/dbraw/zinc/09/50/02/852095002.db2.gz PZUIAGDZEPMHQE-UONOGXRCSA-N -1 0 353.419 -0.510 20 0 FBADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001352146605 852095512 /nfs/dbraw/zinc/09/55/12/852095512.db2.gz PZUIAGDZEPMHQE-ZIAGYGMSSA-N -1 0 353.419 -0.510 20 0 FBADRM Cn1nc(C(=O)[O-])cc1CN1CCN(CC(=O)N2CCOCC2)CC1 ZINC001352193738 852099073 /nfs/dbraw/zinc/09/90/73/852099073.db2.gz KFVVMZPHXWYMDZ-UHFFFAOYSA-N -1 0 351.407 -0.905 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)C(=O)N(C)C ZINC001352540365 852119701 /nfs/dbraw/zinc/11/97/01/852119701.db2.gz FRYMLXBGQGRNNP-ISVAXAHUSA-N -1 0 366.340 -0.751 20 0 FBADRM C[C@H](NC(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)C(=O)N(C)C ZINC001352540395 852120119 /nfs/dbraw/zinc/12/01/19/852120119.db2.gz FRYMLXBGQGRNNP-SDBXPKJASA-N -1 0 366.340 -0.751 20 0 FBADRM CN(CCNS(C)(=O)=O)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001352823641 852141848 /nfs/dbraw/zinc/14/18/48/852141848.db2.gz JUAMACZJXXVPFA-UHFFFAOYSA-N -1 0 364.445 -0.127 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC001352908164 852150112 /nfs/dbraw/zinc/15/01/12/852150112.db2.gz QNSIFJSRSFBYOA-JTQLQIEISA-N -1 0 369.340 -0.311 20 0 FBADRM COCCN(CCC(=O)[O-])C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC001352908165 852149847 /nfs/dbraw/zinc/14/98/47/852149847.db2.gz QNSIFJSRSFBYOA-SNVBAGLBSA-N -1 0 369.340 -0.311 20 0 FBADRM Cn1cnc(CNC(=O)C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)c1 ZINC001353009763 852159521 /nfs/dbraw/zinc/15/95/21/852159521.db2.gz VVYMNNLWVYXMFP-CYBMUJFWSA-N -1 0 361.324 -0.294 20 0 FBADRM Cn1cnc(CNC(=O)C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c1 ZINC001353009765 852159207 /nfs/dbraw/zinc/15/92/07/852159207.db2.gz VVYMNNLWVYXMFP-ZDUSSCGKSA-N -1 0 361.324 -0.294 20 0 FBADRM CC(=O)N1C[C@@H]2CN(C(=O)C(=O)N3CCC(C)(C(=O)[O-])CC3)C[C@@H]2C1 ZINC001353033653 852161631 /nfs/dbraw/zinc/16/16/31/852161631.db2.gz CAPNWMFWGOHSAY-BETUJISGSA-N -1 0 351.403 -0.364 20 0 FBADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N(CCN1CCOCC1)CC1CC1 ZINC001353216641 852177102 /nfs/dbraw/zinc/17/71/02/852177102.db2.gz UPQBWDYMNDUCKE-OKILXGFUSA-N -1 0 353.419 -0.463 20 0 FBADRM CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001353227353 852176732 /nfs/dbraw/zinc/17/67/32/852176732.db2.gz ADOMOLJMEQSZIH-JOCQHMNTSA-N -1 0 355.435 -0.217 20 0 FBADRM CN1CCN(C(=O)CCNC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC001353267545 852178842 /nfs/dbraw/zinc/17/88/42/852178842.db2.gz SXWZSFLNLMBBJE-UONOGXRCSA-N -1 0 352.435 -0.097 20 0 FBADRM Cn1c(Cl)ncc1S(=O)(=O)[N-]C(=O)[C@H]1COCCN1CC(F)F ZINC001353533429 852190462 /nfs/dbraw/zinc/19/04/62/852190462.db2.gz KJAFNMMGAMSLST-SSDOTTSWSA-N -1 0 372.781 -0.156 20 0 FBADRM Cn1c(Cl)ncc1S(=O)(=O)[N-]C(=O)[C@@H]1COCCN1CC(F)F ZINC001353533438 852190214 /nfs/dbraw/zinc/19/02/14/852190214.db2.gz KJAFNMMGAMSLST-ZETCQYMHSA-N -1 0 372.781 -0.156 20 0 FBADRM CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1 ZINC001353898941 852205370 /nfs/dbraw/zinc/20/53/70/852205370.db2.gz BXOWWBORJDYQTK-CYBMUJFWSA-N -1 0 363.413 -0.559 20 0 FBADRM CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1 ZINC001353898942 852205110 /nfs/dbraw/zinc/20/51/10/852205110.db2.gz BXOWWBORJDYQTK-ZDUSSCGKSA-N -1 0 363.413 -0.559 20 0 FBADRM CC(=O)N1CCC[C@@H]1C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001353916721 852204889 /nfs/dbraw/zinc/20/48/89/852204889.db2.gz XQXRXZACFACDGN-GXTWGEPZSA-N -1 0 351.403 -0.079 20 0 FBADRM CC(=O)N1CCC[C@@H]1C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001353916723 852204727 /nfs/dbraw/zinc/20/47/27/852204727.db2.gz XQXRXZACFACDGN-TZMCWYRMSA-N -1 0 351.403 -0.079 20 0 FBADRM Cn1nc(Br)cc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001354002323 852208696 /nfs/dbraw/zinc/20/86/96/852208696.db2.gz IZACJTIXFKTIAL-UHFFFAOYSA-N -1 0 356.184 -0.181 20 0 FBADRM COCCn1cc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cn1 ZINC001354039540 852209423 /nfs/dbraw/zinc/20/94/23/852209423.db2.gz QCULTDCUDGHWLY-INIZCTEOSA-N -1 0 352.391 -0.469 20 0 FBADRM COCCn1cc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)cn1 ZINC001354039541 852209740 /nfs/dbraw/zinc/20/97/40/852209740.db2.gz QCULTDCUDGHWLY-MRXNPFEDSA-N -1 0 352.391 -0.469 20 0 FBADRM CS(=O)(=O)[C@@H]1CSCCN1C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC001354040949 852209590 /nfs/dbraw/zinc/20/95/90/852209590.db2.gz ZLAYFUSRURZVIG-CMPLNLGQSA-N -1 0 350.462 -0.271 20 0 FBADRM CS(=O)(=O)[C@H]1CSCCN1C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC001354040952 852209345 /nfs/dbraw/zinc/20/93/45/852209345.db2.gz ZLAYFUSRURZVIG-JQWIXIFHSA-N -1 0 350.462 -0.271 20 0 FBADRM CS(=O)(=O)[C@H]1CSCCN1C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC001354040954 852209128 /nfs/dbraw/zinc/20/91/28/852209128.db2.gz ZLAYFUSRURZVIG-PWSUYJOCSA-N -1 0 350.462 -0.271 20 0 FBADRM CS(=O)(=O)[C@@H]1CSCCN1C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC001354040956 852209399 /nfs/dbraw/zinc/20/93/99/852209399.db2.gz ZLAYFUSRURZVIG-ZYHUDNBSSA-N -1 0 350.462 -0.271 20 0 FBADRM O=C([O-])[C@]1(N2CCN(C(=O)C3(N4CCOCC4)CC3)CC2)CCOC1 ZINC001354060054 852210514 /nfs/dbraw/zinc/21/05/14/852210514.db2.gz VEHAURQGZRVNNG-KRWDZBQOSA-N -1 0 353.419 -0.761 20 0 FBADRM O=C([O-])[C@@]1(N2CCN(C(=O)C3(N4CCOCC4)CC3)CC2)CCOC1 ZINC001354060071 852210849 /nfs/dbraw/zinc/21/08/49/852210849.db2.gz VEHAURQGZRVNNG-QGZVFWFLSA-N -1 0 353.419 -0.761 20 0 FBADRM COCCCOC1CN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001354243683 852217412 /nfs/dbraw/zinc/21/74/12/852217412.db2.gz UBQJYGFQENYJQI-UONOGXRCSA-N -1 0 354.403 -0.181 20 0 FBADRM CN(C)C(=O)c1cccc(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)c1 ZINC001354255996 852217960 /nfs/dbraw/zinc/21/79/60/852217960.db2.gz JKPNKMHDDLRPDE-UHFFFAOYSA-N -1 0 355.416 -0.221 20 0 FBADRM CCOC1(CS(=O)(=O)N2CCN(CC(=O)[O-])CC2)CCOCC1 ZINC001354258763 852218617 /nfs/dbraw/zinc/21/86/17/852218617.db2.gz VZOYREABAODHDZ-UHFFFAOYSA-N -1 0 350.437 -0.396 20 0 FBADRM C[C@H](NC(=O)N(CCN1CCOCC1)CC(=O)[O-])[C@@H]1CN(C)CCO1 ZINC001354291644 852219219 /nfs/dbraw/zinc/21/92/19/852219219.db2.gz GQGFMRIGCJKWQT-KBPBESRZSA-N -1 0 358.439 -0.866 20 0 FBADRM C[C@@H](NC(=O)N(CCN1CCOCC1)CC(=O)[O-])[C@@H]1CN(C)CCO1 ZINC001354291885 852219110 /nfs/dbraw/zinc/21/91/10/852219110.db2.gz GQGFMRIGCJKWQT-KGLIPLIRSA-N -1 0 358.439 -0.866 20 0 FBADRM C[C@H](NC(=O)N(CCN1CCOCC1)CC(=O)[O-])[C@H]1CN(C)CCO1 ZINC001354291886 852219715 /nfs/dbraw/zinc/21/97/15/852219715.db2.gz GQGFMRIGCJKWQT-UONOGXRCSA-N -1 0 358.439 -0.866 20 0 FBADRM C[C@@H](NC(=O)N(CCN1CCOCC1)CC(=O)[O-])[C@H]1CN(C)CCO1 ZINC001354291887 852219751 /nfs/dbraw/zinc/21/97/51/852219751.db2.gz GQGFMRIGCJKWQT-ZIAGYGMSSA-N -1 0 358.439 -0.866 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCc1ccc(Br)s1 ZINC001354384233 852223143 /nfs/dbraw/zinc/22/31/43/852223143.db2.gz HPGBJQGYTZAVSN-UHFFFAOYSA-N -1 0 364.221 -0.037 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NCc1ccc(Br)c(F)c1 ZINC001354439388 852226673 /nfs/dbraw/zinc/22/66/73/852226673.db2.gz WIPMOWIWZUZLKB-UHFFFAOYSA-N -1 0 362.155 -0.002 20 0 FBADRM C[C@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001354458488 852228155 /nfs/dbraw/zinc/22/81/55/852228155.db2.gz AOZVPKFQJOIUMN-FTGAXOIBSA-N -1 0 353.379 -0.873 20 0 FBADRM C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001354458490 852228094 /nfs/dbraw/zinc/22/80/94/852228094.db2.gz AOZVPKFQJOIUMN-YHAQOWFVSA-N -1 0 353.379 -0.873 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NC1CCN(c2cccc(F)c2)CC1 ZINC001354557168 852232214 /nfs/dbraw/zinc/23/22/14/852232214.db2.gz KDHCOGXESSLISB-UHFFFAOYSA-N -1 0 352.366 -0.296 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)NCCc1ccccc1Br ZINC001354557605 852232613 /nfs/dbraw/zinc/23/26/13/852232613.db2.gz LAFMBBUDWFLUID-UHFFFAOYSA-N -1 0 358.192 -0.098 20 0 FBADRM CO[N-]C(=O)CNC(=O)C(=O)Nc1ccc2c(c1)CN(CC(F)F)C2 ZINC001354596632 852234475 /nfs/dbraw/zinc/23/44/75/852234475.db2.gz XXCNTGMBTOMDAY-UHFFFAOYSA-N -1 0 356.329 0.000 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001354628555 852236265 /nfs/dbraw/zinc/23/62/65/852236265.db2.gz HFHBZTJTFUVJJZ-FOGDFJRCSA-N -1 0 352.391 -0.465 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC001354628556 852235446 /nfs/dbraw/zinc/23/54/46/852235446.db2.gz HFHBZTJTFUVJJZ-UMNHJUIQSA-N -1 0 352.391 -0.465 20 0 FBADRM COCCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001355268293 852259272 /nfs/dbraw/zinc/25/92/72/852259272.db2.gz KPZUOWNJQUXCNA-SECBINFHSA-N -1 0 362.312 -0.084 20 0 FBADRM COCCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001355268295 852259336 /nfs/dbraw/zinc/25/93/36/852259336.db2.gz KPZUOWNJQUXCNA-VIFPVBQESA-N -1 0 362.312 -0.084 20 0 FBADRM CN(C)C(=O)CN1CCN(c2nnc(-c3nc(Cl)n[nH]3)n2C)CC1 ZINC001355326031 852261140 /nfs/dbraw/zinc/26/11/40/852261140.db2.gz RSQOREJJTHDZDJ-UHFFFAOYSA-N -1 0 353.818 -0.536 20 0 FBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N1Cc2nncn2C[C@@H]1C(=O)[O-] ZINC001355384717 852262627 /nfs/dbraw/zinc/26/26/27/852262627.db2.gz CQDAPVYVTZZPCY-SSDOTTSWSA-N -1 0 360.783 -0.369 20 0 FBADRM Cc1nn(C)c(Cl)c1S(=O)(=O)N1Cc2nncn2C[C@H]1C(=O)[O-] ZINC001355384718 852262657 /nfs/dbraw/zinc/26/26/57/852262657.db2.gz CQDAPVYVTZZPCY-ZETCQYMHSA-N -1 0 360.783 -0.369 20 0 FBADRM CCOc1ccncc1S(=O)(=O)N1Cc2nncn2C[C@@H]1C(=O)[O-] ZINC001355384898 852262545 /nfs/dbraw/zinc/26/25/45/852262545.db2.gz HATQBEDFCHBPKA-SECBINFHSA-N -1 0 353.360 -0.271 20 0 FBADRM CCOc1ccncc1S(=O)(=O)N1Cc2nncn2C[C@H]1C(=O)[O-] ZINC001355384899 852262296 /nfs/dbraw/zinc/26/22/96/852262296.db2.gz HATQBEDFCHBPKA-VIFPVBQESA-N -1 0 353.360 -0.271 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2Cc3nncn3C[C@H]2C(=O)[O-])cn1C ZINC001355386785 852262351 /nfs/dbraw/zinc/26/23/51/852262351.db2.gz WQTKMBSBLPOUCE-JTQLQIEISA-N -1 0 369.359 -0.939 20 0 FBADRM COC(=O)c1cc(S(=O)(=O)N2Cc3nncn3C[C@@H]2C(=O)[O-])cn1C ZINC001355386788 852262023 /nfs/dbraw/zinc/26/20/23/852262023.db2.gz WQTKMBSBLPOUCE-SNVBAGLBSA-N -1 0 369.359 -0.939 20 0 FBADRM CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001355772879 852275646 /nfs/dbraw/zinc/27/56/46/852275646.db2.gz FKUWLGRAKKICEN-PSLIRLAXSA-N -1 0 351.363 -0.570 20 0 FBADRM CO[N-]C(=O)Cn1nnnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001355898864 852279684 /nfs/dbraw/zinc/27/96/84/852279684.db2.gz UISSIINBCUVTFE-UHFFFAOYSA-N -1 0 353.333 -0.045 20 0 FBADRM CCn1c(-c2nc(Cl)n[nH]2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001356289230 852296628 /nfs/dbraw/zinc/29/66/28/852296628.db2.gz BGDPATOMWFRZSC-UHFFFAOYSA-N -1 0 367.845 -0.053 20 0 FBADRM COCC1(C(=O)[O-])CCN(S(=O)(=O)c2n[nH]cc2C(=O)OC)CC1 ZINC001356509226 852311789 /nfs/dbraw/zinc/31/17/89/852311789.db2.gz MFSIKUZTJQRUNK-UHFFFAOYSA-N -1 0 361.376 -0.302 20 0 FBADRM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001357026351 852326473 /nfs/dbraw/zinc/32/64/73/852326473.db2.gz VJGPIRQISCBXGE-ADEWGFFLSA-N -1 0 351.407 -0.006 20 0 FBADRM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001357026352 852326451 /nfs/dbraw/zinc/32/64/51/852326451.db2.gz VJGPIRQISCBXGE-ZMLRMANQSA-N -1 0 351.407 -0.006 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001357033685 852326287 /nfs/dbraw/zinc/32/62/87/852326287.db2.gz XQMLURWYCBWOOB-AXFHLTTASA-N -1 0 355.395 -0.627 20 0 FBADRM CC[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001357033686 852326576 /nfs/dbraw/zinc/32/65/76/852326576.db2.gz XQMLURWYCBWOOB-MXWKQRLJSA-N -1 0 355.395 -0.627 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@]23CCC[C@H]2OCC3)c1[O-] ZINC001357415235 852334621 /nfs/dbraw/zinc/33/46/21/852334621.db2.gz AXHWRBHQEKSDTI-USBNGQNGSA-N -1 0 352.391 -0.410 20 0 FBADRM Cc1n[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@]23CCC[C@H]2OCC3)c1[O-] ZINC001357415236 852334556 /nfs/dbraw/zinc/33/45/56/852334556.db2.gz AXHWRBHQEKSDTI-UVWXRNBGSA-N -1 0 352.391 -0.410 20 0 FBADRM CCOC(=O)C(NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)C(=O)OCC ZINC001357965729 852351330 /nfs/dbraw/zinc/35/13/30/852351330.db2.gz HMMHMTWAYARWEO-UHFFFAOYSA-N -1 0 355.391 -0.014 20 0 FBADRM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001358298337 852355954 /nfs/dbraw/zinc/35/59/54/852355954.db2.gz QNWPYLMKFUMKJG-FYLLDIAZSA-N -1 0 353.379 -0.875 20 0 FBADRM Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)c1[O-] ZINC001358498262 852359605 /nfs/dbraw/zinc/35/96/05/852359605.db2.gz PULLQMUKONYBJU-GEEFMHANSA-N -1 0 352.391 -0.290 20 0 FBADRM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001358531129 852360490 /nfs/dbraw/zinc/36/04/90/852360490.db2.gz QNWPYLMKFUMKJG-QFOLPQNPSA-N -1 0 353.379 -0.875 20 0 FBADRM Cn1cccc1C(=O)N1CCN(S(=O)(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CC1 ZINC001465114121 804139372 /nfs/dbraw/zinc/13/93/72/804139372.db2.gz CGIGBLPAQBXNJI-WCQYABFASA-N -1 0 355.416 -0.024 20 0 FBADRM